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(CN1CCn2c(nnc2C(F)(F)F)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737883037 945144100 /nfs/dbraw/zinc/14/41/00/945144100.db2.gz BYPGNFQOHJUPKH-UHFFFAOYSA-N -1 3 393.333 0.931 20 0 GCADHM O=C(CN1CCn2c(nnc2C(F)(F)F)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737883037 945144109 /nfs/dbraw/zinc/14/41/09/945144109.db2.gz BYPGNFQOHJUPKH-UHFFFAOYSA-N -1 3 393.333 0.931 20 0 GCADHM O=C(CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)Nc1cccnc1 ZINC000737888922 945144508 /nfs/dbraw/zinc/14/45/08/945144508.db2.gz IAWGCVMPTFQDTE-INIZCTEOSA-N -1 3 392.423 0.985 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@@H]2C)CC1 ZINC000819796410 945292078 /nfs/dbraw/zinc/29/20/78/945292078.db2.gz HKHUPYKJBCUHSC-FZMZJTMJSA-N -1 3 390.879 0.904 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C[C@@H]2C)CC1 ZINC000819796410 945292085 /nfs/dbraw/zinc/29/20/85/945292085.db2.gz HKHUPYKJBCUHSC-FZMZJTMJSA-N -1 3 390.879 0.904 20 0 GCADHM C[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000819867995 945302562 /nfs/dbraw/zinc/30/25/62/945302562.db2.gz WXFNWBFQTIGMNP-SNVBAGLBSA-N -1 3 394.457 0.199 20 0 GCADHM C[C@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000819867995 945302569 /nfs/dbraw/zinc/30/25/69/945302569.db2.gz WXFNWBFQTIGMNP-SNVBAGLBSA-N -1 3 394.457 0.199 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(CC[S@](C)=O)CC1 ZINC000819876668 945302950 /nfs/dbraw/zinc/30/29/50/945302950.db2.gz IRXFPBMRZHGOSI-CEXHIMGSSA-N -1 3 391.501 0.190 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(CC[S@](C)=O)CC1 ZINC000819876668 945302959 /nfs/dbraw/zinc/30/29/59/945302959.db2.gz IRXFPBMRZHGOSI-CEXHIMGSSA-N -1 3 391.501 0.190 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(CC[S@@](C)=O)CC1 ZINC000819877650 945306330 /nfs/dbraw/zinc/30/63/30/945306330.db2.gz ZMPYXQLGLUIDED-PFUSGODGSA-N -1 3 391.501 0.190 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(CC[S@@](C)=O)CC1 ZINC000819877650 945306334 /nfs/dbraw/zinc/30/63/34/945306334.db2.gz ZMPYXQLGLUIDED-PFUSGODGSA-N -1 3 391.501 0.190 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820020945 945331435 /nfs/dbraw/zinc/33/14/35/945331435.db2.gz NBIDGVDSYNLILT-HNNXBMFYSA-N -1 3 388.476 0.937 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820020945 945331439 /nfs/dbraw/zinc/33/14/39/945331439.db2.gz NBIDGVDSYNLILT-HNNXBMFYSA-N -1 3 388.476 0.937 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001571257725 945341202 /nfs/dbraw/zinc/34/12/02/945341202.db2.gz HYPVTGJPXYJTFD-FWTMIXAASA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001571257725 945341213 /nfs/dbraw/zinc/34/12/13/945341213.db2.gz HYPVTGJPXYJTFD-FWTMIXAASA-N -1 3 385.428 0.197 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571258093 945347104 /nfs/dbraw/zinc/34/71/04/945347104.db2.gz MPEMEUOGXNNFFW-QGZVFWFLSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571258093 945347112 /nfs/dbraw/zinc/34/71/12/945347112.db2.gz MPEMEUOGXNNFFW-QGZVFWFLSA-N -1 3 385.407 0.842 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001571258007 945344871 /nfs/dbraw/zinc/34/48/71/945344871.db2.gz LAPGQTQINLPTEQ-CYBMUJFWSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001571258007 945344881 /nfs/dbraw/zinc/34/48/81/945344881.db2.gz LAPGQTQINLPTEQ-CYBMUJFWSA-N -1 3 385.428 1.000 20 0 GCADHM CC[C@@H]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)O1 ZINC001571257769 945345137 /nfs/dbraw/zinc/34/51/37/945345137.db2.gz JCQWEHXPLHOATJ-MUGBGTHKSA-N -1 3 385.428 0.339 20 0 GCADHM CC[C@@H]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)O1 ZINC001571257769 945345146 /nfs/dbraw/zinc/34/51/46/945345146.db2.gz JCQWEHXPLHOATJ-MUGBGTHKSA-N -1 3 385.428 0.339 20 0 GCADHM CCn1ncc(C(=O)N2CCN(Cc3cc(F)ccc3-c3nnn[n-]3)CC2)n1 ZINC001571257966 945346352 /nfs/dbraw/zinc/34/63/52/945346352.db2.gz KLCSNCOGQIMRQA-UHFFFAOYSA-N -1 3 385.407 0.575 20 0 GCADHM CCn1ncc(C(=O)N2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)n1 ZINC001571257966 945346364 /nfs/dbraw/zinc/34/63/64/945346364.db2.gz KLCSNCOGQIMRQA-UHFFFAOYSA-N -1 3 385.407 0.575 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001571258410 945353170 /nfs/dbraw/zinc/35/31/70/945353170.db2.gz QANYVDRRDVBAMW-GFCCVEGCSA-N -1 3 385.409 0.318 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001571258410 945353182 /nfs/dbraw/zinc/35/31/82/945353182.db2.gz QANYVDRRDVBAMW-GFCCVEGCSA-N -1 3 385.409 0.318 20 0 GCADHM C[C@@]1(C(=O)N2CCC3(CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)C2)CCOC1 ZINC001571258290 945350699 /nfs/dbraw/zinc/35/06/99/945350699.db2.gz PAUYMGHVMLSLRX-QGZVFWFLSA-N -1 3 385.428 0.296 20 0 GCADHM C[C@@]1(C(=O)N2CCC3(CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)CCOC1 ZINC001571258290 945350711 /nfs/dbraw/zinc/35/07/11/945350711.db2.gz PAUYMGHVMLSLRX-QGZVFWFLSA-N -1 3 385.428 0.296 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)C1=CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571258199 945350805 /nfs/dbraw/zinc/35/08/05/945350805.db2.gz NPOKMLJNHHCSPD-CYBMUJFWSA-N -1 3 385.428 0.605 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)C1=CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571258199 945350817 /nfs/dbraw/zinc/35/08/17/945350817.db2.gz NPOKMLJNHHCSPD-CYBMUJFWSA-N -1 3 385.428 0.605 20 0 GCADHM CCn1nncc1C(=O)NCC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571258300 945351319 /nfs/dbraw/zinc/35/13/19/945351319.db2.gz PLUGUMRXEODTGB-UHFFFAOYSA-N -1 3 385.407 0.479 20 0 GCADHM CCO[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001571258427 945353528 /nfs/dbraw/zinc/35/35/28/945353528.db2.gz QLWKVUIIZHIIAW-TZMCWYRMSA-N -1 3 385.428 0.294 20 0 GCADHM CCO[C@@H]1C[C@H]1C(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571258427 945353538 /nfs/dbraw/zinc/35/35/38/945353538.db2.gz QLWKVUIIZHIIAW-TZMCWYRMSA-N -1 3 385.428 0.294 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2F)n(C)n1 ZINC001571258545 945355768 /nfs/dbraw/zinc/35/57/68/945355768.db2.gz VQJUVMYAXIQGAR-GFCCVEGCSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2F)n(C)n1 ZINC001571258545 945355774 /nfs/dbraw/zinc/35/57/74/945355774.db2.gz VQJUVMYAXIQGAR-GFCCVEGCSA-N -1 3 385.407 0.842 20 0 GCADHM Cn1cnc(C(=O)NC2(C)CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC001571258623 945357431 /nfs/dbraw/zinc/35/74/31/945357431.db2.gz XTVNEXOXRVJNJG-UHFFFAOYSA-N -1 3 385.407 0.923 20 0 GCADHM Cn1cnc(C(=O)NC2(C)CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC001571258623 945357441 /nfs/dbraw/zinc/35/74/41/945357441.db2.gz XTVNEXOXRVJNJG-UHFFFAOYSA-N -1 3 385.407 0.923 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)C[C@]2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)O1 ZINC001571258664 945360539 /nfs/dbraw/zinc/36/05/39/945360539.db2.gz YSMRWHZUUPYMHW-BBATYDOGSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)C[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)O1 ZINC001571258664 945360550 /nfs/dbraw/zinc/36/05/50/945360550.db2.gz YSMRWHZUUPYMHW-BBATYDOGSA-N -1 3 385.428 0.437 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820146706 945364223 /nfs/dbraw/zinc/36/42/23/945364223.db2.gz SBAQGGORSUPFTN-UHFFFAOYSA-N -1 3 381.462 0.139 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820146706 945364232 /nfs/dbraw/zinc/36/42/32/945364232.db2.gz SBAQGGORSUPFTN-UHFFFAOYSA-N -1 3 381.462 0.139 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@]23CCOC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571258781 945364298 /nfs/dbraw/zinc/36/42/98/945364298.db2.gz BFYOMWLNBSWOAV-UQGFQMMYSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@]23CCOC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571258781 945364306 /nfs/dbraw/zinc/36/43/06/945364306.db2.gz BFYOMWLNBSWOAV-UQGFQMMYSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CCOCC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571258791 945364627 /nfs/dbraw/zinc/36/46/27/945364627.db2.gz BPRFZBQZVMHKBA-WCQYABFASA-N -1 3 385.428 0.556 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)C2=CCOCC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571258791 945364639 /nfs/dbraw/zinc/36/46/39/945364639.db2.gz BPRFZBQZVMHKBA-WCQYABFASA-N -1 3 385.428 0.556 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571258819 945365612 /nfs/dbraw/zinc/36/56/12/945365612.db2.gz CGHDCYKBXKBIMQ-RRFJBIMHSA-N -1 3 385.428 0.104 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571258819 945365623 /nfs/dbraw/zinc/36/56/23/945365623.db2.gz CGHDCYKBXKBIMQ-RRFJBIMHSA-N -1 3 385.428 0.104 20 0 GCADHM CC(C)[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820183412 945367040 /nfs/dbraw/zinc/36/70/40/945367040.db2.gz AIHJPXRNCOAWQR-SNVBAGLBSA-N -1 3 384.343 0.540 20 0 GCADHM CC(C)[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820183412 945367054 /nfs/dbraw/zinc/36/70/54/945367054.db2.gz AIHJPXRNCOAWQR-SNVBAGLBSA-N -1 3 384.343 0.540 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571258811 945367913 /nfs/dbraw/zinc/36/79/13/945367913.db2.gz BWDNLUBMOFNBAX-OXHZDVMGSA-N -1 3 385.428 0.686 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571258811 945367923 /nfs/dbraw/zinc/36/79/23/945367923.db2.gz BWDNLUBMOFNBAX-OXHZDVMGSA-N -1 3 385.428 0.686 20 0 GCADHM CC(=O)N1CCC(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000735461307 944661049 /nfs/dbraw/zinc/66/10/49/944661049.db2.gz PNVHYPSIYLAUJU-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CC(=O)N1CCC(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000735461307 944661061 /nfs/dbraw/zinc/66/10/61/944661061.db2.gz PNVHYPSIYLAUJU-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CC(=O)Nc1nnc(SCc2cc(=O)n3ncc(-c4nnn[n-]4)c3[nH]2)s1 ZINC000735497156 944667232 /nfs/dbraw/zinc/66/72/32/944667232.db2.gz PQIYATYSKTXETM-UHFFFAOYSA-N -1 3 390.414 0.717 20 0 GCADHM CCC1(O)CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736397592 944813024 /nfs/dbraw/zinc/81/30/24/944813024.db2.gz VRVUNJZXQOVOBU-UHFFFAOYSA-N -1 3 399.455 0.825 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1C ZINC000736779095 944888213 /nfs/dbraw/zinc/88/82/13/944888213.db2.gz KLIIIBKLFCRYFD-UHFFFAOYSA-N -1 3 396.864 0.798 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1C ZINC000736779095 944888219 /nfs/dbraw/zinc/88/82/19/944888219.db2.gz KLIIIBKLFCRYFD-UHFFFAOYSA-N -1 3 396.864 0.798 20 0 GCADHM COC[C@](C)(O)CNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736969604 944921692 /nfs/dbraw/zinc/92/16/92/944921692.db2.gz WYLNUWXGIONEKO-MRXNPFEDSA-N -1 3 380.474 0.797 20 0 GCADHM COC[C@](C)(O)CNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736969604 944921698 /nfs/dbraw/zinc/92/16/98/944921698.db2.gz WYLNUWXGIONEKO-MRXNPFEDSA-N -1 3 380.474 0.797 20 0 GCADHM COCCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)CC(=O)N(C)C ZINC000736989598 944928529 /nfs/dbraw/zinc/92/85/29/944928529.db2.gz FBARLXXGHJXORU-UHFFFAOYSA-N -1 3 379.421 0.052 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCS(=O)(=O)C(C)(C)C ZINC000737023275 944933770 /nfs/dbraw/zinc/93/37/70/944933770.db2.gz KDOFCQNUBWAYIA-UHFFFAOYSA-N -1 3 397.457 0.584 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCS(=O)(=O)C(C)(C)C ZINC000737023275 944933783 /nfs/dbraw/zinc/93/37/83/944933783.db2.gz KDOFCQNUBWAYIA-UHFFFAOYSA-N -1 3 397.457 0.584 20 0 GCADHM C[S@@](=O)CCN1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737171440 944974106 /nfs/dbraw/zinc/97/41/06/944974106.db2.gz AZKCITZWGMVTOQ-AREMUKBSSA-N -1 3 394.526 0.482 20 0 GCADHM C[S@@](=O)CCN1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737171440 944974109 /nfs/dbraw/zinc/97/41/09/944974109.db2.gz AZKCITZWGMVTOQ-AREMUKBSSA-N -1 3 394.526 0.482 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN1CCCNC1=O ZINC001571258877 945369823 /nfs/dbraw/zinc/36/98/23/945369823.db2.gz DJJCTVCDOZWYQK-YPMHNXCESA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN1CCCNC1=O ZINC001571258877 945369838 /nfs/dbraw/zinc/36/98/38/945369838.db2.gz DJJCTVCDOZWYQK-YPMHNXCESA-N -1 3 385.432 0.078 20 0 GCADHM CCCc1noc(CN2CC[C@@](C)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571259033 945372382 /nfs/dbraw/zinc/37/23/82/945372382.db2.gz GNMUJBQXMBWBFG-QGZVFWFLSA-N -1 3 385.432 0.925 20 0 GCADHM CCCc1noc(CN2CC[C@@](C)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571259033 945372394 /nfs/dbraw/zinc/37/23/94/945372394.db2.gz GNMUJBQXMBWBFG-QGZVFWFLSA-N -1 3 385.432 0.925 20 0 GCADHM O=C(N[C@@H]1CCC[C@H]1O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001571258994 945372798 /nfs/dbraw/zinc/37/27/98/945372798.db2.gz 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385.428 0.403 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571259926 945403602 /nfs/dbraw/zinc/40/36/02/945403602.db2.gz SBNWFCPHUGTOCY-LALPHHSUSA-N -1 3 385.428 0.294 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571259926 945403607 /nfs/dbraw/zinc/40/36/07/945403607.db2.gz SBNWFCPHUGTOCY-LALPHHSUSA-N -1 3 385.428 0.294 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571260113 945408076 /nfs/dbraw/zinc/40/80/76/945408076.db2.gz OYBFIBSGEHIFIQ-JKOKRWQUSA-N -1 3 385.432 0.112 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571260113 945408079 /nfs/dbraw/zinc/40/80/79/945408079.db2.gz OYBFIBSGEHIFIQ-JKOKRWQUSA-N -1 3 385.432 0.112 20 0 GCADHM CCc1nc(CN2CCC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)no1 ZINC001571260257 945411892 /nfs/dbraw/zinc/41/18/92/945411892.db2.gz ZCSIEXYWXFNAQE-UHFFFAOYSA-N -1 3 385.432 0.877 20 0 GCADHM CCc1nc(CN2CCC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)no1 ZINC001571260257 945411907 /nfs/dbraw/zinc/41/19/07/945411907.db2.gz ZCSIEXYWXFNAQE-UHFFFAOYSA-N -1 3 385.432 0.877 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@]23CCOC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571260249 945412453 /nfs/dbraw/zinc/41/24/53/945412453.db2.gz YWSLWPPHDDQNGX-VMWDTQKESA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@]23CCOC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571260249 945412457 /nfs/dbraw/zinc/41/24/57/945412457.db2.gz YWSLWPPHDDQNGX-VMWDTQKESA-N -1 3 385.428 0.246 20 0 GCADHM O=C([C@H]1CNC(=O)N1)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571260333 945412598 /nfs/dbraw/zinc/41/25/98/945412598.db2.gz PRZIHBDJTSTZJN-GXTWGEPZSA-N -1 3 385.432 0.126 20 0 GCADHM O=C([C@H]1CNC(=O)N1)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571260333 945412603 /nfs/dbraw/zinc/41/26/03/945412603.db2.gz PRZIHBDJTSTZJN-GXTWGEPZSA-N -1 3 385.432 0.126 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC000820350750 945424428 /nfs/dbraw/zinc/42/44/28/945424428.db2.gz LQGULGTZVUSNRD-LBPRGKRZSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC000820350750 945424431 /nfs/dbraw/zinc/42/44/31/945424431.db2.gz LQGULGTZVUSNRD-LBPRGKRZSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@@H](NC(=O)N1CCO[C@@H](Cn2cncn2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350774 945426040 /nfs/dbraw/zinc/42/60/40/945426040.db2.gz LUJXAXYNHVCNKO-IUODEOHRSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@@H](NC(=O)N1CCO[C@@H](Cn2cncn2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350774 945426046 /nfs/dbraw/zinc/42/60/46/945426046.db2.gz LUJXAXYNHVCNKO-IUODEOHRSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571261873 945431161 /nfs/dbraw/zinc/43/11/61/945431161.db2.gz KYNSMFVQTPRDBQ-PKFCDNJMSA-N -1 3 385.457 0.954 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571261873 945431162 /nfs/dbraw/zinc/43/11/62/945431162.db2.gz KYNSMFVQTPRDBQ-PKFCDNJMSA-N -1 3 385.457 0.954 20 0 GCADHM Cc1cncc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2O)c1 ZINC001571262525 945438690 /nfs/dbraw/zinc/43/86/90/945438690.db2.gz SLAPLYWLKTVJIF-ZIAGYGMSSA-N -1 3 385.453 0.607 20 0 GCADHM Cc1cncc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2O)c1 ZINC001571262525 945438696 /nfs/dbraw/zinc/43/86/96/945438696.db2.gz SLAPLYWLKTVJIF-ZIAGYGMSSA-N -1 3 385.453 0.607 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccoc1 ZINC000820438656 945448985 /nfs/dbraw/zinc/44/89/85/945448985.db2.gz UFDIFLBVZOWRFL-LLVKDONJSA-N -1 3 390.425 0.785 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccoc1 ZINC000820438656 945448991 /nfs/dbraw/zinc/44/89/91/945448991.db2.gz UFDIFLBVZOWRFL-LLVKDONJSA-N -1 3 390.425 0.785 20 0 GCADHM CC(C)[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820437664 945449362 /nfs/dbraw/zinc/44/93/62/945449362.db2.gz BAHOZRYZXYBXGO-SMDDNHRTSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820437664 945449367 /nfs/dbraw/zinc/44/93/67/945449367.db2.gz BAHOZRYZXYBXGO-SMDDNHRTSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000820447124 945452867 /nfs/dbraw/zinc/45/28/67/945452867.db2.gz YGYQMJGDSMVGQD-TUAOUCFPSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000820447124 945452875 /nfs/dbraw/zinc/45/28/75/945452875.db2.gz YGYQMJGDSMVGQD-TUAOUCFPSA-N -1 3 378.458 0.933 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(c4snc(C)c4-c4nnn[n-]4)C[C@H]32)n(C)n1 ZINC001571263251 945453427 /nfs/dbraw/zinc/45/34/27/945453427.db2.gz LAGLQRWUHMGTOC-IWIIMEHWSA-N -1 3 385.457 0.538 20 0 GCADHM Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ncc[nH]2)C3)c1-c1nnn[n-]1 ZINC001571263264 945454121 /nfs/dbraw/zinc/45/41/21/945454121.db2.gz LKGIGDYEQIMUJB-VWYCJHECSA-N -1 3 385.457 0.823 20 0 GCADHM Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2ncc[nH]2)C3)c1-c1nn[n-]n1 ZINC001571263264 945454125 /nfs/dbraw/zinc/45/41/25/945454125.db2.gz LKGIGDYEQIMUJB-VWYCJHECSA-N -1 3 385.457 0.823 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@H]2CN(Cc3cnsn3)C[C@H]21 ZINC001571263302 945455164 /nfs/dbraw/zinc/45/51/64/945455164.db2.gz MHXZIPIIOUSSLV-IINYFYTJSA-N -1 3 385.457 0.783 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@H]2CN(Cc3cnsn3)C[C@H]21 ZINC001571263302 945455169 /nfs/dbraw/zinc/45/51/69/945455169.db2.gz MHXZIPIIOUSSLV-IINYFYTJSA-N -1 3 385.457 0.783 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820467153 945457067 /nfs/dbraw/zinc/45/70/67/945457067.db2.gz BBTSONFXPVQAMN-QMTHXVAHSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000820467817 945458304 /nfs/dbraw/zinc/45/83/04/945458304.db2.gz MXQUPPVVISILPQ-YGRLFVJLSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000820467817 945458311 /nfs/dbraw/zinc/45/83/11/945458311.db2.gz MXQUPPVVISILPQ-YGRLFVJLSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000820467813 945458498 /nfs/dbraw/zinc/45/84/98/945458498.db2.gz MXQUPPVVISILPQ-IINYFYTJSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000820467813 945458508 /nfs/dbraw/zinc/45/85/08/945458508.db2.gz MXQUPPVVISILPQ-IINYFYTJSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000820497132 945464171 /nfs/dbraw/zinc/46/41/71/945464171.db2.gz PZWYFJCDMQPPJY-BXUZGUMPSA-N -1 3 386.412 0.065 20 0 GCADHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000820497132 945464178 /nfs/dbraw/zinc/46/41/78/945464178.db2.gz PZWYFJCDMQPPJY-BXUZGUMPSA-N -1 3 386.412 0.065 20 0 GCADHM CC1(C)SC(=O)N(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1=O ZINC000820607151 945497386 /nfs/dbraw/zinc/49/73/86/945497386.db2.gz KAGPJUZCIADRTG-UHFFFAOYSA-N -1 3 388.457 0.815 20 0 GCADHM CC1(C)SC(=O)N(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1=O ZINC000820607151 945497392 /nfs/dbraw/zinc/49/73/92/945497392.db2.gz KAGPJUZCIADRTG-UHFFFAOYSA-N -1 3 388.457 0.815 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571265115 945498789 /nfs/dbraw/zinc/49/87/89/945498789.db2.gz DFCFQXBMWLOJGC-KGLIPLIRSA-N -1 3 385.476 0.616 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265115 945498796 /nfs/dbraw/zinc/49/87/96/945498796.db2.gz DFCFQXBMWLOJGC-KGLIPLIRSA-N -1 3 385.476 0.616 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571265117 945499986 /nfs/dbraw/zinc/49/99/86/945499986.db2.gz DFCFQXBMWLOJGC-ZIAGYGMSSA-N -1 3 385.476 0.616 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265117 945499992 /nfs/dbraw/zinc/49/99/92/945499992.db2.gz DFCFQXBMWLOJGC-ZIAGYGMSSA-N -1 3 385.476 0.616 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001571265147 945501544 /nfs/dbraw/zinc/50/15/44/945501544.db2.gz DYTIIGKQRKLDMG-KBPBESRZSA-N -1 3 385.476 0.356 20 0 GCADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CCOC[C@H]2CCCO2)C1=O ZINC000820636520 945503627 /nfs/dbraw/zinc/50/36/27/945503627.db2.gz SXHQDUBMYZPOCK-RDTXWAMCSA-N -1 3 386.412 0.829 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CCOC[C@H]2CCCO2)C1=O ZINC000820636520 945503632 /nfs/dbraw/zinc/50/36/32/945503632.db2.gz SXHQDUBMYZPOCK-RDTXWAMCSA-N -1 3 386.412 0.829 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)CN3CCCC3)[C@H]2C)n1 ZINC001571265443 945510896 /nfs/dbraw/zinc/51/08/96/945510896.db2.gz JZAWUYMJQZTFRJ-ZIAGYGMSSA-N -1 3 385.476 0.534 20 0 GCADHM CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265517 945511244 /nfs/dbraw/zinc/51/12/44/945511244.db2.gz LERFJEDPGAZBPP-ZFWWWQNUSA-N -1 3 385.476 0.474 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001571265931 945527249 /nfs/dbraw/zinc/52/72/49/945527249.db2.gz LCHSGSAEJSWLAW-SECBINFHSA-N -1 3 385.475 0.151 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820704683 945531571 /nfs/dbraw/zinc/53/15/71/945531571.db2.gz PIINMEZAFVWPIH-KOLCDFICSA-N -1 3 375.389 0.756 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820704683 945531579 /nfs/dbraw/zinc/53/15/79/945531579.db2.gz PIINMEZAFVWPIH-KOLCDFICSA-N -1 3 375.389 0.756 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820704686 945532022 /nfs/dbraw/zinc/53/20/22/945532022.db2.gz PIINMEZAFVWPIH-MWLCHTKSSA-N -1 3 375.389 0.756 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820704686 945532029 /nfs/dbraw/zinc/53/20/29/945532029.db2.gz PIINMEZAFVWPIH-MWLCHTKSSA-N -1 3 375.389 0.756 20 0 GCADHM CN1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571266311 945536241 /nfs/dbraw/zinc/53/62/41/945536241.db2.gz YYGXOEZMDYDPOK-ZIAGYGMSSA-N -1 3 385.476 0.472 20 0 GCADHM CS(=O)(=O)N1CCC(CNC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC001571266462 945542733 /nfs/dbraw/zinc/54/27/33/945542733.db2.gz RCNFRINDFCXTJP-UHFFFAOYSA-N -1 3 385.475 0.721 20 0 GCADHM CS(=O)(=O)N1CCC(CNC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC001571266462 945542741 /nfs/dbraw/zinc/54/27/41/945542741.db2.gz RCNFRINDFCXTJP-UHFFFAOYSA-N -1 3 385.475 0.721 20 0 GCADHM CC1CCN(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571266666 945549980 /nfs/dbraw/zinc/54/99/80/945549980.db2.gz WEMSEYGZLOABSR-CQSZACIVSA-N -1 3 385.476 0.474 20 0 GCADHM Cc1nsc(N[C@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC001571266721 945551902 /nfs/dbraw/zinc/55/19/02/945551902.db2.gz XYMWNUZBWHTWNH-BDAKNGLRSA-N -1 3 385.475 0.078 20 0 GCADHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC001571266791 945553110 /nfs/dbraw/zinc/55/31/10/945553110.db2.gz ZJJFPJVQRDCLPR-DEOSSOPVSA-N -1 3 385.475 0.073 20 0 GCADHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC001571266791 945553120 /nfs/dbraw/zinc/55/31/20/945553120.db2.gz ZJJFPJVQRDCLPR-DEOSSOPVSA-N -1 3 385.475 0.073 20 0 GCADHM COc1cc(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)on1 ZINC001571266883 945557088 /nfs/dbraw/zinc/55/70/88/945557088.db2.gz BDKNSGZABBTCRE-QMMMGPOBSA-N -1 3 386.372 0.082 20 0 GCADHM COc1cc(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)on1 ZINC001571266883 945557094 /nfs/dbraw/zinc/55/70/94/945557094.db2.gz BDKNSGZABBTCRE-QMMMGPOBSA-N -1 3 386.372 0.082 20 0 GCADHM COc1nc(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)co1 ZINC001571266998 945559054 /nfs/dbraw/zinc/55/90/54/945559054.db2.gz FTKJMXVQGZNVDP-SECBINFHSA-N -1 3 386.372 0.178 20 0 GCADHM COc1nc(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)co1 ZINC001571266998 945559060 /nfs/dbraw/zinc/55/90/60/945559060.db2.gz FTKJMXVQGZNVDP-SECBINFHSA-N -1 3 386.372 0.178 20 0 GCADHM CCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)on1 ZINC001571267088 945561198 /nfs/dbraw/zinc/56/11/98/945561198.db2.gz IYOPYYPOSSRCEN-SECBINFHSA-N -1 3 386.372 0.226 20 0 GCADHM CCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)on1 ZINC001571267088 945561203 /nfs/dbraw/zinc/56/12/03/945561203.db2.gz IYOPYYPOSSRCEN-SECBINFHSA-N -1 3 386.372 0.226 20 0 GCADHM COc1cc(C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)on1 ZINC001571267077 945562011 /nfs/dbraw/zinc/56/20/11/945562011.db2.gz IPASBYJICPZMOQ-JTQLQIEISA-N -1 3 386.372 0.178 20 0 GCADHM COc1cc(C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)on1 ZINC001571267077 945562019 /nfs/dbraw/zinc/56/20/19/945562019.db2.gz IPASBYJICPZMOQ-JTQLQIEISA-N -1 3 386.372 0.178 20 0 GCADHM CN(C(=O)c1cn(C)c(=O)[nH]1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571267180 945563428 /nfs/dbraw/zinc/56/34/28/945563428.db2.gz LVOUWOOWYJORNU-UHFFFAOYSA-N -1 3 386.391 0.401 20 0 GCADHM CN(C(=O)c1cn(C)c(=O)[nH]1)C1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571267180 945563432 /nfs/dbraw/zinc/56/34/32/945563432.db2.gz LVOUWOOWYJORNU-UHFFFAOYSA-N -1 3 386.391 0.401 20 0 GCADHM COc1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)on1 ZINC001571267151 945563591 /nfs/dbraw/zinc/56/35/91/945563591.db2.gz LCBBFGDJTBDMTH-LDYMZIIASA-N -1 3 386.372 0.082 20 0 GCADHM COc1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)on1 ZINC001571267151 945563598 /nfs/dbraw/zinc/56/35/98/945563598.db2.gz LCBBFGDJTBDMTH-LDYMZIIASA-N -1 3 386.372 0.082 20 0 GCADHM C/C=C(/C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820826446 945564180 /nfs/dbraw/zinc/56/41/80/945564180.db2.gz MEPGYGFNHSJFAK-BASWHVEKSA-N -1 3 376.442 0.666 20 0 GCADHM C/C=C(/C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820826446 945564187 /nfs/dbraw/zinc/56/41/87/945564187.db2.gz MEPGYGFNHSJFAK-BASWHVEKSA-N -1 3 376.442 0.666 20 0 GCADHM CCOc1nc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571267247 945564535 /nfs/dbraw/zinc/56/45/35/945564535.db2.gz NTLNVXYBMRNYAQ-SNVBAGLBSA-N -1 3 386.372 0.226 20 0 GCADHM CCOc1nc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571267247 945564537 /nfs/dbraw/zinc/56/45/37/945564537.db2.gz NTLNVXYBMRNYAQ-SNVBAGLBSA-N -1 3 386.372 0.226 20 0 GCADHM O=C(N[C@@H]1CCN(CC=C(Cl)Cl)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571267307 945566333 /nfs/dbraw/zinc/56/63/33/945566333.db2.gz PZEWVCGDXVBHHC-MWLCHTKSSA-N -1 3 386.243 0.679 20 0 GCADHM O=C(N[C@@H]1CCN(CC=C(Cl)Cl)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571267307 945566336 /nfs/dbraw/zinc/56/63/36/945566336.db2.gz PZEWVCGDXVBHHC-MWLCHTKSSA-N -1 3 386.243 0.679 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)on1 ZINC001571267283 945566688 /nfs/dbraw/zinc/56/66/88/945566688.db2.gz PKLWNDVUIXMRJN-BDAKNGLRSA-N -1 3 386.372 0.224 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)on1 ZINC001571267283 945566694 /nfs/dbraw/zinc/56/66/94/945566694.db2.gz PKLWNDVUIXMRJN-BDAKNGLRSA-N -1 3 386.372 0.224 20 0 GCADHM O=C(NC[C@@H]1CN(C/C(Cl)=C\Cl)CCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571267534 945572788 /nfs/dbraw/zinc/57/27/88/945572788.db2.gz YFDCWFNDXMBFCI-NAZIUFLLSA-N -1 3 386.243 0.944 20 0 GCADHM O=C(NC[C@@H]1CN(C/C(Cl)=C\Cl)CCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571267534 945572798 /nfs/dbraw/zinc/57/27/98/945572798.db2.gz YFDCWFNDXMBFCI-NAZIUFLLSA-N -1 3 386.243 0.944 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O)c1ncc[nH]1 ZINC001571267664 945574650 /nfs/dbraw/zinc/57/46/50/945574650.db2.gz BHPGWBYVUCVFAI-ZIAGYGMSSA-N -1 3 386.391 0.094 20 0 GCADHM CCCn1cc(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)nn1 ZINC001571267619 945575044 /nfs/dbraw/zinc/57/50/44/945575044.db2.gz AJKNKMMZTFBGKS-PHIMTYICSA-N -1 3 386.395 0.775 20 0 GCADHM CCCn1cc(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)nn1 ZINC001571267619 945575051 /nfs/dbraw/zinc/57/50/51/945575051.db2.gz AJKNKMMZTFBGKS-PHIMTYICSA-N -1 3 386.395 0.775 20 0 GCADHM CCn1nncc1C(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571267750 945576378 /nfs/dbraw/zinc/57/63/78/945576378.db2.gz DCMZPHURZILYGP-NSHDSACASA-N -1 3 386.395 0.729 20 0 GCADHM CCn1nncc1C(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571267750 945576385 /nfs/dbraw/zinc/57/63/85/945576385.db2.gz DCMZPHURZILYGP-NSHDSACASA-N -1 3 386.395 0.729 20 0 GCADHM CC[C@@H](C)C(=O)COC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820863874 945577102 /nfs/dbraw/zinc/57/71/02/945577102.db2.gz VNCIUCXXYNKJNW-LLVKDONJSA-N -1 3 380.426 0.940 20 0 GCADHM CC[C@@H](C)C(=O)COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820863874 945577110 /nfs/dbraw/zinc/57/71/10/945577110.db2.gz VNCIUCXXYNKJNW-LLVKDONJSA-N -1 3 380.426 0.940 20 0 GCADHM COc1cc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)on1 ZINC001571267721 945577684 /nfs/dbraw/zinc/57/76/84/945577684.db2.gz CQEGVYSTUHZYGP-ZWNOBZJWSA-N -1 3 386.416 0.974 20 0 GCADHM COc1cc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)on1 ZINC001571267721 945577688 /nfs/dbraw/zinc/57/76/88/945577688.db2.gz CQEGVYSTUHZYGP-ZWNOBZJWSA-N -1 3 386.416 0.974 20 0 GCADHM C[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CN1C(=O)CCn1ccnn1 ZINC001571267688 945577874 /nfs/dbraw/zinc/57/78/74/945577874.db2.gz BRQYCGHWQHTQBP-CMPLNLGQSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CN1C(=O)CCn1ccnn1 ZINC001571267688 945577876 /nfs/dbraw/zinc/57/78/76/945577876.db2.gz BRQYCGHWQHTQBP-CMPLNLGQSA-N -1 3 386.395 0.484 20 0 GCADHM Cc1nnc(CC(=O)N2CCCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)[nH]1 ZINC001571267774 945579870 /nfs/dbraw/zinc/57/98/70/945579870.db2.gz DODYXUCBNZBRST-UHFFFAOYSA-N -1 3 386.395 0.109 20 0 GCADHM CCC(=O)c1cccc(-c2nnn[n-]2)c1OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC001571267916 945580858 /nfs/dbraw/zinc/58/08/58/945580858.db2.gz IZTGLBYCYFOLHZ-CYBMUJFWSA-N -1 3 386.412 0.705 20 0 GCADHM CCC(=O)c1cccc(-c2nn[n-]n2)c1OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC001571267916 945580865 /nfs/dbraw/zinc/58/08/65/945580865.db2.gz IZTGLBYCYFOLHZ-CYBMUJFWSA-N -1 3 386.412 0.705 20 0 GCADHM COc1cc(CN(C)C[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)on1 ZINC001571267971 945583671 /nfs/dbraw/zinc/58/36/71/945583671.db2.gz KCRIMVPCTWYVRL-LLVKDONJSA-N -1 3 386.416 0.928 20 0 GCADHM COc1cc(CN(C)C[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)on1 ZINC001571267971 945583679 /nfs/dbraw/zinc/58/36/79/945583679.db2.gz KCRIMVPCTWYVRL-LLVKDONJSA-N -1 3 386.416 0.928 20 0 GCADHM COc1cc(CN(C)C[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)on1 ZINC001571267972 945584125 /nfs/dbraw/zinc/58/41/25/945584125.db2.gz KCRIMVPCTWYVRL-NSHDSACASA-N -1 3 386.416 0.928 20 0 GCADHM COc1cc(CN(C)C[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)on1 ZINC001571267972 945584134 /nfs/dbraw/zinc/58/41/34/945584134.db2.gz KCRIMVPCTWYVRL-NSHDSACASA-N -1 3 386.416 0.928 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)[C@@H]2C)nnn1C ZINC001571268055 945585300 /nfs/dbraw/zinc/58/53/00/945585300.db2.gz MERJXODKHOUUQE-UFBFGSQYSA-N -1 3 386.395 0.553 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)[C@@H]2C)nnn1C ZINC001571268055 945585309 /nfs/dbraw/zinc/58/53/09/945585309.db2.gz MERJXODKHOUUQE-UFBFGSQYSA-N -1 3 386.395 0.553 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)[C@@H]2C)nnn1C ZINC001571268054 945585838 /nfs/dbraw/zinc/58/58/38/945585838.db2.gz MERJXODKHOUUQE-QPUJVOFHSA-N -1 3 386.395 0.553 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)[C@@H]2C)nnn1C ZINC001571268054 945585843 /nfs/dbraw/zinc/58/58/43/945585843.db2.gz MERJXODKHOUUQE-QPUJVOFHSA-N -1 3 386.395 0.553 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001571268076 945585952 /nfs/dbraw/zinc/58/59/52/945585952.db2.gz MZJWYXPJZVCICK-ZYHUDNBSSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001571268076 945585954 /nfs/dbraw/zinc/58/59/54/945585954.db2.gz MZJWYXPJZVCICK-ZYHUDNBSSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1nnc[nH]1 ZINC001571268102 945587863 /nfs/dbraw/zinc/58/78/63/945587863.db2.gz NYBQLAYFZNHDBK-KOLCDFICSA-N -1 3 386.395 0.553 20 0 GCADHM CO[C@@H]1CCOC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571268095 945588502 /nfs/dbraw/zinc/58/85/02/945588502.db2.gz NSLFGMWFECJMHG-NWANDNLSSA-N -1 3 386.412 0.140 20 0 GCADHM CO[C@@H]1CCOC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571268095 945588511 /nfs/dbraw/zinc/58/85/11/945588511.db2.gz NSLFGMWFECJMHG-NWANDNLSSA-N -1 3 386.412 0.140 20 0 GCADHM Cc1nc(CNC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)oc1C ZINC001571268166 945590189 /nfs/dbraw/zinc/59/01/89/945590189.db2.gz BQEZMBNDZMOPDL-GFCCVEGCSA-N -1 3 386.416 0.430 20 0 GCADHM Cc1nc(CNC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)oc1C ZINC001571268166 945590195 /nfs/dbraw/zinc/59/01/95/945590195.db2.gz BQEZMBNDZMOPDL-GFCCVEGCSA-N -1 3 386.416 0.430 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCOC[C@@H]2CNC(=O)c2cc(F)c[nH]2)n1 ZINC001571268292 945592099 /nfs/dbraw/zinc/59/20/99/945592099.db2.gz QRNUWBLGNDUGRJ-LBPRGKRZSA-N -1 3 386.391 0.673 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCOC[C@@H]2CNC(=O)c2cc(F)c[nH]2)n1 ZINC001571268292 945592107 /nfs/dbraw/zinc/59/21/07/945592107.db2.gz QRNUWBLGNDUGRJ-LBPRGKRZSA-N -1 3 386.391 0.673 20 0 GCADHM O=C(CCn1cncn1)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571268443 945596232 /nfs/dbraw/zinc/59/62/32/945596232.db2.gz SFCSHPODYZVPCE-UHFFFAOYSA-N -1 3 386.395 0.486 20 0 GCADHM O=C(CCn1cncn1)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571268443 945596241 /nfs/dbraw/zinc/59/62/41/945596241.db2.gz SFCSHPODYZVPCE-UHFFFAOYSA-N -1 3 386.395 0.486 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)c3n[nH]cc3F)CC2)n1 ZINC001571268433 945596286 /nfs/dbraw/zinc/59/62/86/945596286.db2.gz RTKXGBMXQOPBRZ-SNVBAGLBSA-N -1 3 386.395 0.616 20 0 GCADHM Cc1cnc([C@@H](C)NC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)o1 ZINC001571268554 945598521 /nfs/dbraw/zinc/59/85/21/945598521.db2.gz HFZAEQDTXQEPSA-VXGBXAGGSA-N -1 3 386.416 0.683 20 0 GCADHM Cc1cnc([C@@H](C)NC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)o1 ZINC001571268554 945598527 /nfs/dbraw/zinc/59/85/27/945598527.db2.gz HFZAEQDTXQEPSA-VXGBXAGGSA-N -1 3 386.416 0.683 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571268709 945602269 /nfs/dbraw/zinc/60/22/69/945602269.db2.gz XECWGWSCBWUYEI-VXGBXAGGSA-N -1 3 386.395 0.682 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571268709 945602274 /nfs/dbraw/zinc/60/22/74/945602274.db2.gz XECWGWSCBWUYEI-VXGBXAGGSA-N -1 3 386.395 0.682 20 0 GCADHM CCn1ncc(C(=O)N2C[C@@H](C)[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571268852 945605141 /nfs/dbraw/zinc/60/51/41/945605141.db2.gz XWKOGOXULLFBDB-NOZJJQNGSA-N -1 3 386.395 0.585 20 0 GCADHM CCn1ncc(C(=O)N2C[C@@H](C)[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571268852 945605145 /nfs/dbraw/zinc/60/51/45/945605145.db2.gz XWKOGOXULLFBDB-NOZJJQNGSA-N -1 3 386.395 0.585 20 0 GCADHM C[C@@]1(CNc2cccc(F)c2-c2nnn[n-]2)CCN(C(=O)Cn2cnnn2)C1 ZINC001571268878 945605755 /nfs/dbraw/zinc/60/57/55/945605755.db2.gz YDHPZFKUSRWNBJ-INIZCTEOSA-N -1 3 386.395 0.343 20 0 GCADHM C[C@@]1(CNc2cccc(F)c2-c2nn[n-]n2)CCN(C(=O)Cn2cnnn2)C1 ZINC001571268878 945605760 /nfs/dbraw/zinc/60/57/60/945605760.db2.gz YDHPZFKUSRWNBJ-INIZCTEOSA-N -1 3 386.395 0.343 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)o1 ZINC001571268851 945606261 /nfs/dbraw/zinc/60/62/61/945606261.db2.gz XVKIQDFKSZZYGV-GFCCVEGCSA-N -1 3 386.391 0.630 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)o1 ZINC001571268851 945606268 /nfs/dbraw/zinc/60/62/68/945606268.db2.gz XVKIQDFKSZZYGV-GFCCVEGCSA-N -1 3 386.391 0.630 20 0 GCADHM Cc1cc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)ncc1-c1nnn[n-]1 ZINC001571268903 945607440 /nfs/dbraw/zinc/60/74/40/945607440.db2.gz YXZRVHBJJDMZQK-UHFFFAOYSA-N -1 3 386.397 0.006 20 0 GCADHM Cc1cc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)ncc1-c1nn[n-]n1 ZINC001571268903 945607445 /nfs/dbraw/zinc/60/74/45/945607445.db2.gz YXZRVHBJJDMZQK-UHFFFAOYSA-N -1 3 386.397 0.006 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001571268887 945607904 /nfs/dbraw/zinc/60/79/04/945607904.db2.gz YGHYXQIVHKFPCR-DGCLKSJQSA-N -1 3 386.391 0.027 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001571268887 945607908 /nfs/dbraw/zinc/60/79/08/945607908.db2.gz YGHYXQIVHKFPCR-DGCLKSJQSA-N -1 3 386.391 0.027 20 0 GCADHM Cc1cnc(CN2CCCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001571268962 945609331 /nfs/dbraw/zinc/60/93/31/945609331.db2.gz LPJCMGAGQIPZFS-ZDUSSCGKSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1cnc(CN2CCCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001571268962 945609337 /nfs/dbraw/zinc/60/93/37/945609337.db2.gz LPJCMGAGQIPZFS-ZDUSSCGKSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1cc(NC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)ncc1-c1nnn[n-]1 ZINC001571269111 945611314 /nfs/dbraw/zinc/61/13/14/945611314.db2.gz PDISVPLSZSBZRF-LLVKDONJSA-N -1 3 386.416 0.065 20 0 GCADHM Cc1cc(NC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)ncc1-c1nn[n-]n1 ZINC001571269111 945611320 /nfs/dbraw/zinc/61/13/20/945611320.db2.gz PDISVPLSZSBZRF-LLVKDONJSA-N -1 3 386.416 0.065 20 0 GCADHM C[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571269130 945613589 /nfs/dbraw/zinc/61/35/89/945613589.db2.gz PUYKXWPFPXHWRO-KOXAJKMWSA-N -1 3 386.431 0.979 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O)[C@@H]1C[C@H]1C1CC1 ZINC001571269129 945613746 /nfs/dbraw/zinc/61/37/46/945613746.db2.gz PSVYZICRPNPSAC-ABFRBSLYSA-N -1 3 386.431 0.713 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O)[C@@H]1C[C@H]1C1CC1 ZINC001571269129 945613752 /nfs/dbraw/zinc/61/37/52/945613752.db2.gz PSVYZICRPNPSAC-ABFRBSLYSA-N -1 3 386.431 0.713 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1NC(=O)c1cncs1 ZINC001571269653 945623522 /nfs/dbraw/zinc/62/35/22/945623522.db2.gz BQMBSQAXDSSUNI-GFCCVEGCSA-N -1 3 386.441 0.932 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1NC(=O)c1cncs1 ZINC001571269653 945623526 /nfs/dbraw/zinc/62/35/26/945623526.db2.gz BQMBSQAXDSSUNI-GFCCVEGCSA-N -1 3 386.441 0.932 20 0 GCADHM CCc1ncc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)s1 ZINC001571269877 945624648 /nfs/dbraw/zinc/62/46/48/945624648.db2.gz GFUDOUOADJQJBK-JTQLQIEISA-N -1 3 386.441 0.858 20 0 GCADHM CCc1ncc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)s1 ZINC001571269877 945624654 /nfs/dbraw/zinc/62/46/54/945624654.db2.gz GFUDOUOADJQJBK-JTQLQIEISA-N -1 3 386.441 0.858 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1csc(CO)n1 ZINC001571269944 945626832 /nfs/dbraw/zinc/62/68/32/945626832.db2.gz INCICIQZTMGKBN-UHFFFAOYSA-N -1 3 386.441 0.609 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1csc(CO)n1 ZINC001571269944 945626834 /nfs/dbraw/zinc/62/68/34/945626834.db2.gz INCICIQZTMGKBN-UHFFFAOYSA-N -1 3 386.441 0.609 20 0 GCADHM NC(=O)c1cc(C(=O)NCC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)c[nH]1 ZINC001571269892 945626896 /nfs/dbraw/zinc/62/68/96/945626896.db2.gz GZVIESYJSZYWOZ-UHFFFAOYSA-N -1 3 386.441 0.217 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1NC(=O)c1csnn1 ZINC001571269973 945629195 /nfs/dbraw/zinc/62/91/95/945629195.db2.gz JIOUAJBGCJBOQA-TZMCWYRMSA-N -1 3 386.441 0.347 20 0 GCADHM Cc1nc(C(=O)NC2CC(N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cs1 ZINC001571270037 945629383 /nfs/dbraw/zinc/62/93/83/945629383.db2.gz LBYOFNMTEZEXPI-UHFFFAOYSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1nc(C(=O)NC2CC(N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cs1 ZINC001571270037 945629385 /nfs/dbraw/zinc/62/93/85/945629385.db2.gz LBYOFNMTEZEXPI-UHFFFAOYSA-N -1 3 386.441 0.993 20 0 GCADHM O=C(Cc1cscn1)NC1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571270047 945630989 /nfs/dbraw/zinc/63/09/89/945630989.db2.gz LKGJEYWMLZIFSS-UHFFFAOYSA-N -1 3 386.441 0.519 20 0 GCADHM O=C(Cc1cscn1)NC1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571270047 945630993 /nfs/dbraw/zinc/63/09/93/945630993.db2.gz LKGJEYWMLZIFSS-UHFFFAOYSA-N -1 3 386.441 0.519 20 0 GCADHM Cc1ccc(CNC(=O)c2ccc(CS(N)(=O)=O)cc2)cc1-c1nnn[n-]1 ZINC001571270217 945631344 /nfs/dbraw/zinc/63/13/44/945631344.db2.gz NQRVYMZMEAPNKT-UHFFFAOYSA-N -1 3 386.437 0.894 20 0 GCADHM Cc1ccc(CNC(=O)c2ccc(CS(N)(=O)=O)cc2)cc1-c1nn[n-]n1 ZINC001571270217 945631352 /nfs/dbraw/zinc/63/13/52/945631352.db2.gz NQRVYMZMEAPNKT-UHFFFAOYSA-N -1 3 386.437 0.894 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1nccs1 ZINC001571270348 945634737 /nfs/dbraw/zinc/63/47/37/945634737.db2.gz QWMKNZSGMVAZLU-JTQLQIEISA-N -1 3 386.441 0.934 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1nccs1 ZINC001571270348 945634742 /nfs/dbraw/zinc/63/47/42/945634742.db2.gz QWMKNZSGMVAZLU-JTQLQIEISA-N -1 3 386.441 0.934 20 0 GCADHM Cc1nscc1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571270399 945637180 /nfs/dbraw/zinc/63/71/80/945637180.db2.gz SQFPETKAEBRMHJ-OLZOCXBDSA-N -1 3 386.441 0.315 20 0 GCADHM Cc1nscc1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571270399 945637182 /nfs/dbraw/zinc/63/71/82/945637182.db2.gz SQFPETKAEBRMHJ-OLZOCXBDSA-N -1 3 386.441 0.315 20 0 GCADHM O=C(NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1)c1ccsn1 ZINC001571270561 945639606 /nfs/dbraw/zinc/63/96/06/945639606.db2.gz VCKWHEMVRJSYMX-NSHDSACASA-N -1 3 386.441 0.744 20 0 GCADHM O=C(NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1)c1ccsn1 ZINC001571270561 945639611 /nfs/dbraw/zinc/63/96/11/945639611.db2.gz VCKWHEMVRJSYMX-NSHDSACASA-N -1 3 386.441 0.744 20 0 GCADHM CCN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000821164945 945644038 /nfs/dbraw/zinc/64/40/38/945644038.db2.gz MKXWQHRBBLXYNY-LLVKDONJSA-N -1 3 398.876 0.968 20 0 GCADHM CCN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000821164945 945644040 /nfs/dbraw/zinc/64/40/40/945644040.db2.gz MKXWQHRBBLXYNY-LLVKDONJSA-N -1 3 398.876 0.968 20 0 GCADHM CCN(CC)C(=O)CN(C)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821175102 945646522 /nfs/dbraw/zinc/64/65/22/945646522.db2.gz CWHRREYBRPKPOK-UHFFFAOYSA-N -1 3 380.474 0.441 20 0 GCADHM CCN(CC)C(=O)CN(C)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821175102 945646527 /nfs/dbraw/zinc/64/65/27/945646527.db2.gz CWHRREYBRPKPOK-UHFFFAOYSA-N -1 3 380.474 0.441 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(Cl)cn2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571271649 945646726 /nfs/dbraw/zinc/64/67/26/945646726.db2.gz GLHWZSMUIAPWHC-NSHDSACASA-N -1 3 386.803 0.888 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(Cl)cn2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571271649 945646735 /nfs/dbraw/zinc/64/67/35/945646735.db2.gz GLHWZSMUIAPWHC-NSHDSACASA-N -1 3 386.803 0.888 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000821320130 945670265 /nfs/dbraw/zinc/67/02/65/945670265.db2.gz LBDXQVHGLBVIGL-SNVBAGLBSA-N -1 3 376.373 0.153 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000821320130 945670278 /nfs/dbraw/zinc/67/02/78/945670278.db2.gz LBDXQVHGLBVIGL-SNVBAGLBSA-N -1 3 376.373 0.153 20 0 GCADHM CO[C@H](C)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001571273310 945684228 /nfs/dbraw/zinc/68/42/28/945684228.db2.gz VGJKYUZKASCHLR-UKRRQHHQSA-N -1 3 386.460 0.020 20 0 GCADHM CO[C@H](C)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001571273310 945684235 /nfs/dbraw/zinc/68/42/35/945684235.db2.gz VGJKYUZKASCHLR-UKRRQHHQSA-N -1 3 386.460 0.020 20 0 GCADHM CCOCCOCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821383321 945686028 /nfs/dbraw/zinc/68/60/28/945686028.db2.gz COJCFMBUTPTDRA-UHFFFAOYSA-N -1 3 390.444 0.819 20 0 GCADHM CCOCCOCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821383321 945686037 /nfs/dbraw/zinc/68/60/37/945686037.db2.gz COJCFMBUTPTDRA-UHFFFAOYSA-N -1 3 390.444 0.819 20 0 GCADHM CN1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571273376 945686142 /nfs/dbraw/zinc/68/61/42/945686142.db2.gz WMEBYNIJDYOUBJ-HIFRSBDPSA-N -1 3 386.460 0.385 20 0 GCADHM CN1CCO[C@H](C(=O)N2CCCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571273376 945686145 /nfs/dbraw/zinc/68/61/45/945686145.db2.gz WMEBYNIJDYOUBJ-HIFRSBDPSA-N -1 3 386.460 0.385 20 0 GCADHM CCOCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821373744 945686916 /nfs/dbraw/zinc/68/69/16/945686916.db2.gz LNVGQTFNURZYQX-LBPRGKRZSA-N -1 3 396.473 0.466 20 0 GCADHM CCOCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821373744 945686918 /nfs/dbraw/zinc/68/69/18/945686918.db2.gz LNVGQTFNURZYQX-LBPRGKRZSA-N -1 3 396.473 0.466 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cn1nnc2ccccc2c1=O ZINC000821390292 945688316 /nfs/dbraw/zinc/68/83/16/945688316.db2.gz XEKKSJMCDJXWPC-UHFFFAOYSA-N -1 3 393.363 0.976 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cn1nnc2ccccc2c1=O ZINC000821390292 945688322 /nfs/dbraw/zinc/68/83/22/945688322.db2.gz XEKKSJMCDJXWPC-UHFFFAOYSA-N -1 3 393.363 0.976 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)n1 ZINC001571273521 945690135 /nfs/dbraw/zinc/69/01/35/945690135.db2.gz YXJKDYDJIHUUIH-DOMZBBRYSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)n1 ZINC001571273521 945690147 /nfs/dbraw/zinc/69/01/47/945690147.db2.gz YXJKDYDJIHUUIH-DOMZBBRYSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](CNC(=O)c3n[nH]cc3F)C2)n1 ZINC001571274271 945695474 /nfs/dbraw/zinc/69/54/74/945695474.db2.gz DDOKYZVGGMNBFK-SNVBAGLBSA-N -1 3 387.379 0.068 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@H](CNC(=O)c3n[nH]cc3F)C2)n1 ZINC001571274271 945695482 /nfs/dbraw/zinc/69/54/82/945695482.db2.gz DDOKYZVGGMNBFK-SNVBAGLBSA-N -1 3 387.379 0.068 20 0 GCADHM Cn1c(C(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)c[nH]c1=O ZINC001571274656 945699019 /nfs/dbraw/zinc/69/90/19/945699019.db2.gz JNNNNLKYWWIXPD-SNVBAGLBSA-N -1 3 387.379 0.239 20 0 GCADHM Cn1c(C(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)c[nH]c1=O ZINC001571274656 945699023 /nfs/dbraw/zinc/69/90/23/945699023.db2.gz JNNNNLKYWWIXPD-SNVBAGLBSA-N -1 3 387.379 0.239 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571274835 945700985 /nfs/dbraw/zinc/70/09/85/945700985.db2.gz LTDBBSHMOQKQQE-GZMMTYOYSA-N -1 3 387.379 0.413 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571274835 945700994 /nfs/dbraw/zinc/70/09/94/945700994.db2.gz LTDBBSHMOQKQQE-GZMMTYOYSA-N -1 3 387.379 0.413 20 0 GCADHM Cc1ocnc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001571274805 945701186 /nfs/dbraw/zinc/70/11/86/945701186.db2.gz LNPVXVHGJNVZSC-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1ocnc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001571274805 945701192 /nfs/dbraw/zinc/70/11/92/945701192.db2.gz LNPVXVHGJNVZSC-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM Cn1ccc(C(=O)N2CCO[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571275318 945705340 /nfs/dbraw/zinc/70/53/40/945705340.db2.gz SCDNVTCWWYKUIZ-LLVKDONJSA-N -1 3 387.379 0.087 20 0 GCADHM Cn1ccc(C(=O)N2CCO[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571275318 945705344 /nfs/dbraw/zinc/70/53/44/945705344.db2.gz SCDNVTCWWYKUIZ-LLVKDONJSA-N -1 3 387.379 0.087 20 0 GCADHM O=C(NC[C@H]1CCCCN1CCO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571275323 945705490 /nfs/dbraw/zinc/70/54/90/945705490.db2.gz SDXAXPMDWBUCBJ-MRVPVSSYSA-N -1 3 386.869 0.945 20 0 GCADHM CCN1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571275924 945718098 /nfs/dbraw/zinc/71/80/98/945718098.db2.gz FTVUBCVFVCKTPW-DZGCQCFKSA-N -1 3 386.460 0.385 20 0 GCADHM CCN1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571275924 945718105 /nfs/dbraw/zinc/71/81/05/945718105.db2.gz FTVUBCVFVCKTPW-DZGCQCFKSA-N -1 3 386.460 0.385 20 0 GCADHM CCO[C@@H]1C[C@H]1C(=O)N(C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC001571276106 945725743 /nfs/dbraw/zinc/72/57/43/945725743.db2.gz HGOWPZXXEBRJDQ-NVXWUHKLSA-N -1 3 386.456 0.943 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ncccc1-c1nnn[n-]1)CC2)[C@]1(F)CCOC1 ZINC001571276229 945727081 /nfs/dbraw/zinc/72/70/81/945727081.db2.gz FUUHFMJUNJPGKB-UGSOOPFHSA-N -1 3 387.419 0.865 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ncccc1-c1nn[n-]n1)CC2)[C@]1(F)CCOC1 ZINC001571276229 945727084 /nfs/dbraw/zinc/72/70/84/945727084.db2.gz FUUHFMJUNJPGKB-UGSOOPFHSA-N -1 3 387.419 0.865 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)[C@H]1CCC(=O)NC1 ZINC001571276288 945730096 /nfs/dbraw/zinc/73/00/96/945730096.db2.gz GZMUMBATUGZXEK-QWHCGFSZSA-N -1 3 387.419 0.223 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571276374 945731995 /nfs/dbraw/zinc/73/19/95/945731995.db2.gz IHBPUYVFMLTVAS-NWDGAFQWSA-N -1 3 387.419 0.935 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571276374 945732001 /nfs/dbraw/zinc/73/20/01/945732001.db2.gz IHBPUYVFMLTVAS-NWDGAFQWSA-N -1 3 387.419 0.935 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)C2=COCCO2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571276352 945732376 /nfs/dbraw/zinc/73/23/76/945732376.db2.gz IAUQTBFXINDMHX-NSHDSACASA-N -1 3 387.400 0.051 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)C2=COCCO2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571276352 945732383 /nfs/dbraw/zinc/73/23/83/945732383.db2.gz IAUQTBFXINDMHX-NSHDSACASA-N -1 3 387.400 0.051 20 0 GCADHM COCc1noc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)n1 ZINC001571276361 945733109 /nfs/dbraw/zinc/73/31/09/945733109.db2.gz IEVTVLUTIOAKNH-ONGXEEELSA-N -1 3 387.404 0.117 20 0 GCADHM COCc1noc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)n1 ZINC001571276361 945733116 /nfs/dbraw/zinc/73/31/16/945733116.db2.gz IEVTVLUTIOAKNH-ONGXEEELSA-N -1 3 387.404 0.117 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571276730 945736894 /nfs/dbraw/zinc/73/68/94/945736894.db2.gz KLILYVYBJABUGJ-RYUDHWBXSA-N -1 3 387.419 0.792 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571276730 945736900 /nfs/dbraw/zinc/73/69/00/945736900.db2.gz KLILYVYBJABUGJ-RYUDHWBXSA-N -1 3 387.419 0.792 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571276705 945737030 /nfs/dbraw/zinc/73/70/30/945737030.db2.gz JOMQCXSBOPYMQU-CYBMUJFWSA-N -1 3 387.419 0.365 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571276705 945737040 /nfs/dbraw/zinc/73/70/40/945737040.db2.gz JOMQCXSBOPYMQU-CYBMUJFWSA-N -1 3 387.419 0.365 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ncc(-c3nnn[n-]3)cc1F)CC2)[C@H]1CCOC1 ZINC001571276975 945738903 /nfs/dbraw/zinc/73/89/03/945738903.db2.gz LUKWNOVCMVEARA-SMDDNHRTSA-N -1 3 387.419 0.912 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ncc(-c3nn[n-]n3)cc1F)CC2)[C@H]1CCOC1 ZINC001571276975 945738907 /nfs/dbraw/zinc/73/89/07/945738907.db2.gz LUKWNOVCMVEARA-SMDDNHRTSA-N -1 3 387.419 0.912 20 0 GCADHM CN(C(=O)[C@H]1CCCC(=O)N1)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571277022 945739211 /nfs/dbraw/zinc/73/92/11/945739211.db2.gz MXUAMISPMQEQLZ-OAHLLOKOSA-N -1 3 387.419 0.317 20 0 GCADHM CN(C(=O)[C@H]1CCCC(=O)N1)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571277022 945739218 /nfs/dbraw/zinc/73/92/18/945739218.db2.gz MXUAMISPMQEQLZ-OAHLLOKOSA-N -1 3 387.419 0.317 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[C@H](F)C3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571276981 945739334 /nfs/dbraw/zinc/73/93/34/945739334.db2.gz LZYBYHXUPKQUOO-TVEHIPJCSA-N -1 3 387.419 0.910 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[C@H](F)C3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571276981 945739346 /nfs/dbraw/zinc/73/93/46/945739346.db2.gz LZYBYHXUPKQUOO-TVEHIPJCSA-N -1 3 387.419 0.910 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001571277359 945741514 /nfs/dbraw/zinc/74/15/14/945741514.db2.gz PFFXKBYDMHBHPO-NWDGAFQWSA-N -1 3 387.419 0.935 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001571277359 945741516 /nfs/dbraw/zinc/74/15/16/945741516.db2.gz PFFXKBYDMHBHPO-NWDGAFQWSA-N -1 3 387.419 0.935 20 0 GCADHM CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571277803 945746327 /nfs/dbraw/zinc/74/63/27/945746327.db2.gz TUBOWJCGCYESHS-CHWSQXEVSA-N -1 3 387.419 0.160 20 0 GCADHM CN(C(=O)[C@@H]1CC[C@H]1C(N)=O)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571277803 945746332 /nfs/dbraw/zinc/74/63/32/945746332.db2.gz TUBOWJCGCYESHS-CHWSQXEVSA-N -1 3 387.419 0.160 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571277772 945746594 /nfs/dbraw/zinc/74/65/94/945746594.db2.gz SRNJSERNHRTCFO-NWDGAFQWSA-N -1 3 387.419 0.760 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571277772 945746600 /nfs/dbraw/zinc/74/66/00/945746600.db2.gz SRNJSERNHRTCFO-NWDGAFQWSA-N -1 3 387.419 0.760 20 0 GCADHM O=C([C@@H]1CCCCO1)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001571278140 945748773 /nfs/dbraw/zinc/74/87/73/945748773.db2.gz WRXQRAPQAFDQQU-GUTXKFCHSA-N -1 3 387.419 0.865 20 0 GCADHM O=C([C@@H]1CCCCO1)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001571278140 945748778 /nfs/dbraw/zinc/74/87/78/945748778.db2.gz WRXQRAPQAFDQQU-GUTXKFCHSA-N -1 3 387.419 0.865 20 0 GCADHM O=C(NC[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@]12C[C@H]1COC2 ZINC001571278074 945749903 /nfs/dbraw/zinc/74/99/03/945749903.db2.gz VMISJEKDSFMNQV-JCGVRSQUSA-N -1 3 387.419 0.912 20 0 GCADHM O=C(NC[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@]12C[C@H]1COC2 ZINC001571278074 945749910 /nfs/dbraw/zinc/74/99/10/945749910.db2.gz VMISJEKDSFMNQV-JCGVRSQUSA-N -1 3 387.419 0.912 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001571278393 945752076 /nfs/dbraw/zinc/75/20/76/945752076.db2.gz YVZODLBEFRCIJG-MDZLAQPJSA-N -1 3 387.419 0.568 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001571278393 945752084 /nfs/dbraw/zinc/75/20/84/945752084.db2.gz YVZODLBEFRCIJG-MDZLAQPJSA-N -1 3 387.419 0.568 20 0 GCADHM CO[C@H](C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1)C1CC1 ZINC001571278759 945760009 /nfs/dbraw/zinc/76/00/09/945760009.db2.gz BPAWCIXZVKDSTK-MAUKXSAKSA-N -1 3 387.444 0.452 20 0 GCADHM CO[C@H](C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1)C1CC1 ZINC001571278759 945760015 /nfs/dbraw/zinc/76/00/15/945760015.db2.gz BPAWCIXZVKDSTK-MAUKXSAKSA-N -1 3 387.444 0.452 20 0 GCADHM C[C@]1(C(=O)N2CCC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOC1 ZINC001571278808 945760057 /nfs/dbraw/zinc/76/00/57/945760057.db2.gz CNOSJZWLCSUXLF-SFHVURJKSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CCC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOC1 ZINC001571278808 945760065 /nfs/dbraw/zinc/76/00/65/945760065.db2.gz CNOSJZWLCSUXLF-SFHVURJKSA-N -1 3 387.444 0.590 20 0 GCADHM CNC(=O)[C@H](C)CN(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821630130 945760484 /nfs/dbraw/zinc/76/04/84/945760484.db2.gz NISXTPPQRCCLGO-SNVBAGLBSA-N -1 3 383.416 0.089 20 0 GCADHM CNC(=O)[C@H](C)CN(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821630130 945760492 /nfs/dbraw/zinc/76/04/92/945760492.db2.gz NISXTPPQRCCLGO-SNVBAGLBSA-N -1 3 383.416 0.089 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001571278791 945760872 /nfs/dbraw/zinc/76/08/72/945760872.db2.gz CDGUBTMFVQXAOF-SNUQEOBHSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001571278791 945760879 /nfs/dbraw/zinc/76/08/79/945760879.db2.gz CDGUBTMFVQXAOF-SNUQEOBHSA-N -1 3 387.444 0.779 20 0 GCADHM CO[C@@H](C(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)C(C)C ZINC001571278782 945761259 /nfs/dbraw/zinc/76/12/59/945761259.db2.gz CAVFFFWZBAWSRF-KCPJHIHWSA-N -1 3 387.444 0.539 20 0 GCADHM CO[C@@H](C(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)C(C)C ZINC001571278782 945761267 /nfs/dbraw/zinc/76/12/67/945761267.db2.gz CAVFFFWZBAWSRF-KCPJHIHWSA-N -1 3 387.444 0.539 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821637618 945762787 /nfs/dbraw/zinc/76/27/87/945762787.db2.gz NDLHDEYURWBWPX-UHFFFAOYSA-N -1 3 380.792 0.774 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821637618 945762795 /nfs/dbraw/zinc/76/27/95/945762795.db2.gz NDLHDEYURWBWPX-UHFFFAOYSA-N -1 3 380.792 0.774 20 0 GCADHM Cc1nnsc1C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279005 945766461 /nfs/dbraw/zinc/76/64/61/945766461.db2.gz FVBQPWDLWADQEX-UHFFFAOYSA-N -1 3 387.429 0.388 20 0 GCADHM Cc1nnsc1C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279005 945766465 /nfs/dbraw/zinc/76/64/65/945766465.db2.gz FVBQPWDLWADQEX-UHFFFAOYSA-N -1 3 387.429 0.388 20 0 GCADHM CN(C[C@H]1CCN1C(=O)C[C@@H]1CCCCO1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571279047 945766839 /nfs/dbraw/zinc/76/68/39/945766839.db2.gz HGSWHSAYGFBOCR-OLZOCXBDSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C[C@H]1CCN1C(=O)C[C@@H]1CCCCO1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571279047 945766852 /nfs/dbraw/zinc/76/68/52/945766852.db2.gz HGSWHSAYGFBOCR-OLZOCXBDSA-N -1 3 387.444 0.827 20 0 GCADHM Cc1ccsc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001571279021 945767476 /nfs/dbraw/zinc/76/74/76/945767476.db2.gz GFVQEKWHRUODTC-VXGBXAGGSA-N -1 3 387.425 0.180 20 0 GCADHM Cc1ccsc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001571279021 945767480 /nfs/dbraw/zinc/76/74/80/945767480.db2.gz GFVQEKWHRUODTC-VXGBXAGGSA-N -1 3 387.425 0.180 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)[C@H]2CCCOCC2)C1 ZINC001571279096 945769722 /nfs/dbraw/zinc/76/97/22/945769722.db2.gz ISWJBHOPMHOTPA-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)[C@H]2CCCOCC2)C1 ZINC001571279096 945769738 /nfs/dbraw/zinc/76/97/38/945769738.db2.gz ISWJBHOPMHOTPA-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@](O)(CC(=O)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001571279054 945770165 /nfs/dbraw/zinc/77/01/65/945770165.db2.gz HJPZBKRDEBSAQF-GOSISDBHSA-N -1 3 387.444 0.420 20 0 GCADHM C[C@@](O)(CC(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001571279054 945770171 /nfs/dbraw/zinc/77/01/71/945770171.db2.gz HJPZBKRDEBSAQF-GOSISDBHSA-N -1 3 387.444 0.420 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC001571279162 945771369 /nfs/dbraw/zinc/77/13/69/945771369.db2.gz KIVSMUHQKRABLZ-ZIAGYGMSSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(C(=O)CC[C@H]2CCCO2)C1 ZINC001571279162 945771373 /nfs/dbraw/zinc/77/13/73/945771373.db2.gz KIVSMUHQKRABLZ-ZIAGYGMSSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C(=O)C[C@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279263 945772913 /nfs/dbraw/zinc/77/29/13/945772913.db2.gz 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CSc1nc(C2CC2)cc(C(=O)N2CC(NC3COC3)C2)c1-c1nn[n-]n1 ZINC001571281426 945804909 /nfs/dbraw/zinc/80/49/09/945804909.db2.gz IKPPIJPSBSPHCL-UHFFFAOYSA-N -1 3 387.469 0.674 20 0 GCADHM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)Cn3ccnc3C)C2)c1-c1nnn[n-]1 ZINC001571281683 945809293 /nfs/dbraw/zinc/80/92/93/945809293.db2.gz LOGHWZITHGWGGC-BXKDBHETSA-N -1 3 387.473 0.778 20 0 GCADHM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)Cn3ccnc3C)C2)c1-c1nn[n-]n1 ZINC001571281683 945809309 /nfs/dbraw/zinc/80/93/09/945809309.db2.gz LOGHWZITHGWGGC-BXKDBHETSA-N -1 3 387.473 0.778 20 0 GCADHM CN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nnn[n-]3)s2)CC1=O ZINC001571281719 945813093 /nfs/dbraw/zinc/81/30/93/945813093.db2.gz MNDRBYBMNQNFMI-WOPDTQHZSA-N -1 3 387.469 0.192 20 0 GCADHM CN1C[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001571281719 945813106 /nfs/dbraw/zinc/81/31/06/945813106.db2.gz MNDRBYBMNQNFMI-WOPDTQHZSA-N -1 3 387.469 0.192 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573449049 945813857 /nfs/dbraw/zinc/81/38/57/945813857.db2.gz PLDWRPITZFRXJH-OAHLLOKOSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573449049 945813869 /nfs/dbraw/zinc/81/38/69/945813869.db2.gz PLDWRPITZFRXJH-OAHLLOKOSA-N -1 3 384.444 0.358 20 0 GCADHM COCCCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821687200 945813959 /nfs/dbraw/zinc/81/39/59/945813959.db2.gz SYFBNMXIYHFSLZ-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM COCCCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821687200 945813968 /nfs/dbraw/zinc/81/39/68/945813968.db2.gz SYFBNMXIYHFSLZ-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573449274 945814983 /nfs/dbraw/zinc/81/49/83/945814983.db2.gz XBXWORGGYILIKG-MRXNPFEDSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573449274 945814995 /nfs/dbraw/zinc/81/49/95/945814995.db2.gz XBXWORGGYILIKG-MRXNPFEDSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573449260 945815470 /nfs/dbraw/zinc/81/54/70/945815470.db2.gz WFRNNJYPZPAYGO-UMVBOHGHSA-N -1 3 384.444 0.640 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573449260 945815480 /nfs/dbraw/zinc/81/54/80/945815480.db2.gz WFRNNJYPZPAYGO-UMVBOHGHSA-N -1 3 384.444 0.640 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573449266 945817367 /nfs/dbraw/zinc/81/73/67/945817367.db2.gz WRQMKMYTHLRELP-CYBMUJFWSA-N -1 3 388.407 0.472 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573449266 945817383 /nfs/dbraw/zinc/81/73/83/945817383.db2.gz WRQMKMYTHLRELP-CYBMUJFWSA-N -1 3 388.407 0.472 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000821689785 945817495 /nfs/dbraw/zinc/81/74/95/945817495.db2.gz MQPUTXOXAUFDNH-HNNXBMFYSA-N -1 3 399.455 0.788 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000821689785 945817509 /nfs/dbraw/zinc/81/75/09/945817509.db2.gz MQPUTXOXAUFDNH-HNNXBMFYSA-N -1 3 399.455 0.788 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573449369 945819765 /nfs/dbraw/zinc/81/97/65/945819765.db2.gz ZXEYFASHVWTRBV-XHDPSFHLSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573449369 945819779 /nfs/dbraw/zinc/81/97/79/945819779.db2.gz ZXEYFASHVWTRBV-XHDPSFHLSA-N -1 3 386.460 0.888 20 0 GCADHM O=C(NC1CCN(C(=O)C2CCC(O)CC2)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571282161 945829729 /nfs/dbraw/zinc/82/97/29/945829729.db2.gz FJNHRKGQDICWPE-UHFFFAOYSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(NC1CCN(C(=O)C2CCC(O)CC2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571282161 945829742 /nfs/dbraw/zinc/82/97/42/945829742.db2.gz FJNHRKGQDICWPE-UHFFFAOYSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571282133 945829830 /nfs/dbraw/zinc/82/98/30/945829830.db2.gz DVWQLZOSZLTCLO-AGIUHOORSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571282133 945829842 /nfs/dbraw/zinc/82/98/42/945829842.db2.gz DVWQLZOSZLTCLO-AGIUHOORSA-N -1 3 387.444 0.873 20 0 GCADHM O=C(C[C@H]1CCCCO1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571282127 945829955 /nfs/dbraw/zinc/82/99/55/945829955.db2.gz DRJYRLGLACBOHW-CYBMUJFWSA-N -1 3 387.444 0.829 20 0 GCADHM O=C(C[C@H]1CCCCO1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571282127 945829969 /nfs/dbraw/zinc/82/99/69/945829969.db2.gz DRJYRLGLACBOHW-CYBMUJFWSA-N -1 3 387.444 0.829 20 0 GCADHM O=C([C@H]1COCCO1)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001571282142 945831262 /nfs/dbraw/zinc/83/12/62/945831262.db2.gz FAMWYMLESUDSIN-GOEBONIOSA-N -1 3 387.444 0.860 20 0 GCADHM O=C([C@H]1COCCO1)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001571282142 945831280 /nfs/dbraw/zinc/83/12/80/945831280.db2.gz FAMWYMLESUDSIN-GOEBONIOSA-N -1 3 387.444 0.860 20 0 GCADHM CC(=O)N1CCc2cc(S(=O)(=O)NCc3cncc(-c4nnn[n-]4)c3)ccc21 ZINC001573451135 945834704 /nfs/dbraw/zinc/83/47/04/945834704.db2.gz RRAPPHNPHDPPAR-UHFFFAOYSA-N -1 3 399.436 0.649 20 0 GCADHM CC(=O)N1CCc2cc(S(=O)(=O)NCc3cncc(-c4nn[n-]n4)c3)ccc21 ZINC001573451135 945834723 /nfs/dbraw/zinc/83/47/23/945834723.db2.gz RRAPPHNPHDPPAR-UHFFFAOYSA-N -1 3 399.436 0.649 20 0 GCADHM O=C(C[C@H]1CCCO1)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282354 945838800 /nfs/dbraw/zinc/83/88/00/945838800.db2.gz IIHUNOGORJZFMZ-TZMCWYRMSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@H]1CCCO1)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282354 945838809 /nfs/dbraw/zinc/83/88/09/945838809.db2.gz IIHUNOGORJZFMZ-TZMCWYRMSA-N -1 3 387.444 0.732 20 0 GCADHM CCc1c[nH]c(CC(=O)N[C@@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C2)n1 ZINC001571282440 945845097 /nfs/dbraw/zinc/84/50/97/945845097.db2.gz YKYIBOSRJDKYRJ-LLVKDONJSA-N -1 3 387.473 0.855 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573452086 945846062 /nfs/dbraw/zinc/84/60/62/945846062.db2.gz ATAMPIJSEICRLT-ZBEGNZNMSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573452086 945846076 /nfs/dbraw/zinc/84/60/76/945846076.db2.gz ATAMPIJSEICRLT-ZBEGNZNMSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)C(C)C ZINC001573452137 945847400 /nfs/dbraw/zinc/84/74/00/945847400.db2.gz BGEKJPPCHRNQBY-MRXNPFEDSA-N -1 3 377.474 0.946 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)C(C)C ZINC001573452137 945847413 /nfs/dbraw/zinc/84/74/13/945847413.db2.gz BGEKJPPCHRNQBY-MRXNPFEDSA-N -1 3 377.474 0.946 20 0 GCADHM O=C(C[C@@H]1CCCOC1)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571282665 945852982 /nfs/dbraw/zinc/85/29/82/945852982.db2.gz NBSMMOLGEJJXRQ-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@@H]1CCCOC1)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571282665 945852996 /nfs/dbraw/zinc/85/29/96/945852996.db2.gz NBSMMOLGEJJXRQ-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573452663 945853889 /nfs/dbraw/zinc/85/38/89/945853889.db2.gz GUSRHRRZPGCHPR-MRXNPFEDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573452663 945853903 /nfs/dbraw/zinc/85/39/03/945853903.db2.gz GUSRHRRZPGCHPR-MRXNPFEDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573453164 945855007 /nfs/dbraw/zinc/85/50/07/945855007.db2.gz JBPQHKNKDNLCQN-XIKOKIGWSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573453164 945855012 /nfs/dbraw/zinc/85/50/12/945855012.db2.gz JBPQHKNKDNLCQN-XIKOKIGWSA-N -1 3 388.476 0.977 20 0 GCADHM O=C(NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCOCC1 ZINC001571282647 945856327 /nfs/dbraw/zinc/85/63/27/945856327.db2.gz MYEUNHQFJYMBNR-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCOCC1 ZINC001571282647 945856339 /nfs/dbraw/zinc/85/63/39/945856339.db2.gz MYEUNHQFJYMBNR-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C1CCC(O)CC1)N1CCO[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571282704 945857501 /nfs/dbraw/zinc/85/75/01/945857501.db2.gz ODJQPTHSBQVHIJ-JXQTWKCFSA-N -1 3 387.444 0.452 20 0 GCADHM O=C(C1CCC(O)CC1)N1CCO[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571282704 945857514 /nfs/dbraw/zinc/85/75/14/945857514.db2.gz ODJQPTHSBQVHIJ-JXQTWKCFSA-N -1 3 387.444 0.452 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573453265 945859526 /nfs/dbraw/zinc/85/95/26/945859526.db2.gz KHKYAMBVPYFJDA-KRWDZBQOSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573453265 945859539 /nfs/dbraw/zinc/85/95/39/945859539.db2.gz KHKYAMBVPYFJDA-KRWDZBQOSA-N -1 3 392.439 0.822 20 0 GCADHM O=C(CCC1CCOCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571282793 945863761 /nfs/dbraw/zinc/86/37/61/945863761.db2.gz QZWLLLVNUDJFLA-CQSZACIVSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(CCC1CCOCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571282793 945863769 /nfs/dbraw/zinc/86/37/69/945863769.db2.gz QZWLLLVNUDJFLA-CQSZACIVSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(CO[C@H]1CCOC1)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571282842 945864553 /nfs/dbraw/zinc/86/45/53/945864553.db2.gz SQGVYWCUBNDCDD-KGLIPLIRSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(CO[C@H]1CCOC1)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571282842 945864569 /nfs/dbraw/zinc/86/45/69/945864569.db2.gz SQGVYWCUBNDCDD-KGLIPLIRSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(CC[C@H]1CCCCO1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571282995 945869817 /nfs/dbraw/zinc/86/98/17/945869817.db2.gz XRDYQQRSDVNOCQ-CHWSQXEVSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(CC[C@H]1CCCCO1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571282995 945869831 /nfs/dbraw/zinc/86/98/31/945869831.db2.gz XRDYQQRSDVNOCQ-CHWSQXEVSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(NC1CCN(C(=O)[C@@H]2CCCOCC2)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571283029 945871278 /nfs/dbraw/zinc/87/12/78/945871278.db2.gz YFDGMPDDZCCFEF-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(NC1CCN(C(=O)[C@@H]2CCCOCC2)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571283029 945871290 /nfs/dbraw/zinc/87/12/90/945871290.db2.gz YFDGMPDDZCCFEF-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM O=C([C@@H]1CCCOC1)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571283058 945873795 /nfs/dbraw/zinc/87/37/95/945873795.db2.gz YPDNFVGXELPJCW-ACJLOTCBSA-N -1 3 387.444 0.454 20 0 GCADHM O=C([C@@H]1CCCOC1)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571283058 945873805 /nfs/dbraw/zinc/87/38/05/945873805.db2.gz YPDNFVGXELPJCW-ACJLOTCBSA-N -1 3 387.444 0.454 20 0 GCADHM Cc1c(Cl)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nn1C ZINC001571283228 945881460 /nfs/dbraw/zinc/88/14/60/945881460.db2.gz CECGWZSZOBISNJ-LLVKDONJSA-N -1 3 387.835 0.966 20 0 GCADHM Cc1c(Cl)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nn1C ZINC001571283228 945881465 /nfs/dbraw/zinc/88/14/65/945881465.db2.gz CECGWZSZOBISNJ-LLVKDONJSA-N -1 3 387.835 0.966 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573455289 945883050 /nfs/dbraw/zinc/88/30/50/945883050.db2.gz BZIDWPNDFIPFMJ-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573455289 945883058 /nfs/dbraw/zinc/88/30/58/945883058.db2.gz BZIDWPNDFIPFMJ-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM CN(C(=O)c1nn(C)cc1Cl)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571283401 945883036 /nfs/dbraw/zinc/88/30/36/945883036.db2.gz FDCIZCLIVHZRFV-NSHDSACASA-N -1 3 387.835 1.000 20 0 GCADHM CN(C(=O)c1nn(C)cc1Cl)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571283401 945883041 /nfs/dbraw/zinc/88/30/41/945883041.db2.gz FDCIZCLIVHZRFV-NSHDSACASA-N -1 3 387.835 1.000 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCCCN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573455573 945884693 /nfs/dbraw/zinc/88/46/93/945884693.db2.gz FGIWSLDJFCJUFZ-SFHVURJKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCCCN(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573455573 945884705 /nfs/dbraw/zinc/88/47/05/945884705.db2.gz FGIWSLDJFCJUFZ-SFHVURJKSA-N -1 3 388.476 0.755 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3c(Cl)cnn3C)C2)n1 ZINC001571283554 945885893 /nfs/dbraw/zinc/88/58/93/945885893.db2.gz GGTRLHDGKOLVJF-SNVBAGLBSA-N -1 3 387.835 0.966 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)c3c(Cl)cnn3C)C2)n1 ZINC001571283554 945885904 /nfs/dbraw/zinc/88/59/04/945885904.db2.gz GGTRLHDGKOLVJF-SNVBAGLBSA-N -1 3 387.835 0.966 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573455603 945885944 /nfs/dbraw/zinc/88/59/44/945885944.db2.gz FPORDEPAEPMEIV-CYBMUJFWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573455603 945885959 /nfs/dbraw/zinc/88/59/59/945885959.db2.gz FPORDEPAEPMEIV-CYBMUJFWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573456087 945888095 /nfs/dbraw/zinc/88/80/95/945888095.db2.gz IMAVOUIKDAFZIE-YPMHNXCESA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573456087 945888106 /nfs/dbraw/zinc/88/81/06/945888106.db2.gz IMAVOUIKDAFZIE-YPMHNXCESA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573455857 945889368 /nfs/dbraw/zinc/88/93/68/945889368.db2.gz HLGVUJQCRWGCIY-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573455857 945889380 /nfs/dbraw/zinc/88/93/80/945889380.db2.gz HLGVUJQCRWGCIY-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573457047 945902082 /nfs/dbraw/zinc/90/20/82/945902082.db2.gz SSCLWUHOWOFCSK-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573457047 945902089 /nfs/dbraw/zinc/90/20/89/945902089.db2.gz SSCLWUHOWOFCSK-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821936689 945906251 /nfs/dbraw/zinc/90/62/51/945906251.db2.gz DKHIDMZZSYQDDG-UHFFFAOYSA-N -1 3 377.382 0.866 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821936689 945906257 /nfs/dbraw/zinc/90/62/57/945906257.db2.gz DKHIDMZZSYQDDG-UHFFFAOYSA-N -1 3 377.382 0.866 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573458971 945909570 /nfs/dbraw/zinc/90/95/70/945909570.db2.gz BLVGINUUWWKKOR-CQSZACIVSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573458971 945909577 /nfs/dbraw/zinc/90/95/77/945909577.db2.gz BLVGINUUWWKKOR-CQSZACIVSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573459445 945912670 /nfs/dbraw/zinc/91/26/70/945912670.db2.gz FCSSAQRKWZRYTN-ZDUSSCGKSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573459445 945912673 /nfs/dbraw/zinc/91/26/73/945912673.db2.gz FCSSAQRKWZRYTN-ZDUSSCGKSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573459023 945913352 /nfs/dbraw/zinc/91/33/52/945913352.db2.gz DAXPTLUMTWHXQJ-ZDUSSCGKSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573459023 945913355 /nfs/dbraw/zinc/91/33/55/945913355.db2.gz DAXPTLUMTWHXQJ-ZDUSSCGKSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573460406 945916801 /nfs/dbraw/zinc/91/68/01/945916801.db2.gz LAHFNWXLVQVBCP-RYUDHWBXSA-N -1 3 389.485 0.628 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)s1 ZINC001573460406 945916809 /nfs/dbraw/zinc/91/68/09/945916809.db2.gz LAHFNWXLVQVBCP-RYUDHWBXSA-N -1 3 389.485 0.628 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571285491 945917614 /nfs/dbraw/zinc/91/76/14/945917614.db2.gz GFVICKFIHHMWHV-GJZGRUSLSA-N -1 3 388.403 0.458 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571285491 945917630 /nfs/dbraw/zinc/91/76/30/945917630.db2.gz GFVICKFIHHMWHV-GJZGRUSLSA-N -1 3 388.403 0.458 20 0 GCADHM CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571285508 945917904 /nfs/dbraw/zinc/91/79/04/945917904.db2.gz HBLBKUAHAPARJN-ZPPKWKGLSA-N -1 3 388.407 0.431 20 0 GCADHM CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571285508 945917914 /nfs/dbraw/zinc/91/79/14/945917914.db2.gz HBLBKUAHAPARJN-ZPPKWKGLSA-N -1 3 388.407 0.431 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573460395 945918057 /nfs/dbraw/zinc/91/80/57/945918057.db2.gz KYIRCTNTKUJZCB-MRVPVSSYSA-N -1 3 380.478 0.487 20 0 GCADHM Cn1cc(Cl)c(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571285548 945921318 /nfs/dbraw/zinc/92/13/18/945921318.db2.gz HYVCJTHIUGCKIZ-JTQLQIEISA-N -1 3 387.835 0.905 20 0 GCADHM Cn1cc(Cl)c(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571285548 945921329 /nfs/dbraw/zinc/92/13/29/945921329.db2.gz HYVCJTHIUGCKIZ-JTQLQIEISA-N -1 3 387.835 0.905 20 0 GCADHM Cc1c(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)nnn1C ZINC000822020961 945923870 /nfs/dbraw/zinc/92/38/70/945923870.db2.gz PKCNZVPOXOTOFX-UHFFFAOYSA-N -1 3 383.416 0.517 20 0 GCADHM Cc1c(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)nnn1C ZINC000822020961 945923879 /nfs/dbraw/zinc/92/38/79/945923879.db2.gz PKCNZVPOXOTOFX-UHFFFAOYSA-N -1 3 383.416 0.517 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571285667 945923866 /nfs/dbraw/zinc/92/38/66/945923866.db2.gz LJJZWOGWKAQWTB-UHFFFAOYSA-N -1 3 387.835 0.851 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571285667 945923877 /nfs/dbraw/zinc/92/38/77/945923877.db2.gz LJJZWOGWKAQWTB-UHFFFAOYSA-N -1 3 387.835 0.851 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571285729 945924927 /nfs/dbraw/zinc/92/49/27/945924927.db2.gz MLGHBJXZUCCQJL-LBPRGKRZSA-N -1 3 388.407 0.060 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571285729 945924938 /nfs/dbraw/zinc/92/49/38/945924938.db2.gz MLGHBJXZUCCQJL-LBPRGKRZSA-N -1 3 388.407 0.060 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC001573461860 945925034 /nfs/dbraw/zinc/92/50/34/945925034.db2.gz SAUAYZDWJOEIPY-RISCZKNCSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC001573461860 945925046 /nfs/dbraw/zinc/92/50/46/945925046.db2.gz SAUAYZDWJOEIPY-RISCZKNCSA-N -1 3 386.460 0.825 20 0 GCADHM Cc1cnoc1C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001571285871 945930005 /nfs/dbraw/zinc/93/00/05/945930005.db2.gz PXQAUAHURXIWLI-RYUDHWBXSA-N -1 3 388.363 0.067 20 0 GCADHM Cc1cnoc1C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001571285871 945930010 /nfs/dbraw/zinc/93/00/10/945930010.db2.gz PXQAUAHURXIWLI-RYUDHWBXSA-N -1 3 388.363 0.067 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)Cn3cc(Cl)cn3)C2)ccc1-c1nnn[n-]1 ZINC001571285901 945930873 /nfs/dbraw/zinc/93/08/73/945930873.db2.gz QYVJPHQKCQDCLV-GFCCVEGCSA-N -1 3 387.835 0.815 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)Cn3cc(Cl)cn3)C2)ccc1-c1nn[n-]n1 ZINC001571285901 945930880 /nfs/dbraw/zinc/93/08/80/945930880.db2.gz QYVJPHQKCQDCLV-GFCCVEGCSA-N -1 3 387.835 0.815 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCN(c2ncc(Br)cc2-c2nnn[n-]2)C1 ZINC001571285926 945932156 /nfs/dbraw/zinc/93/21/56/945932156.db2.gz RLERVTBIVOWYKL-SSDOTTSWSA-N -1 3 388.251 0.139 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCN(c2ncc(Br)cc2-c2nn[n-]n2)C1 ZINC001571285926 945932164 /nfs/dbraw/zinc/93/21/64/945932164.db2.gz RLERVTBIVOWYKL-SSDOTTSWSA-N -1 3 388.251 0.139 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)on1 ZINC001571285931 945933301 /nfs/dbraw/zinc/93/33/01/945933301.db2.gz RPBWSMRKEPFKEC-VIFPVBQESA-N -1 3 388.363 0.654 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)on1 ZINC001571285931 945933304 /nfs/dbraw/zinc/93/33/04/945933304.db2.gz RPBWSMRKEPFKEC-VIFPVBQESA-N -1 3 388.363 0.654 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573462205 945934321 /nfs/dbraw/zinc/93/43/21/945934321.db2.gz CGMLLWMCNYMNCW-UHFFFAOYSA-N -1 3 376.396 0.376 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573462205 945934332 /nfs/dbraw/zinc/93/43/32/945934332.db2.gz CGMLLWMCNYMNCW-UHFFFAOYSA-N -1 3 376.396 0.376 20 0 GCADHM O=C([C@H]1CNC(=O)N1)N1CCC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571286234 945939067 /nfs/dbraw/zinc/93/90/67/945939067.db2.gz BSLRRKJYADAUJA-GXFFZTMASA-N -1 3 388.407 0.338 20 0 GCADHM O=C([C@H]1CNC(=O)N1)N1CCC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571286234 945939076 /nfs/dbraw/zinc/93/90/76/945939076.db2.gz BSLRRKJYADAUJA-GXFFZTMASA-N -1 3 388.407 0.338 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001573462414 945940322 /nfs/dbraw/zinc/94/03/22/945940322.db2.gz ILADXECDOPQRPQ-ZDUSSCGKSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001573462414 945940329 /nfs/dbraw/zinc/94/03/29/945940329.db2.gz ILADXECDOPQRPQ-ZDUSSCGKSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573462454 945941442 /nfs/dbraw/zinc/94/14/42/945941442.db2.gz JUQXGOITXZLALF-CYBMUJFWSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573462454 945941449 /nfs/dbraw/zinc/94/14/49/945941449.db2.gz JUQXGOITXZLALF-CYBMUJFWSA-N -1 3 386.460 0.652 20 0 GCADHM Cc1c(CN2CCSCC2)cccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822028493 945943402 /nfs/dbraw/zinc/94/34/02/945943402.db2.gz ORDGAJWCLGDGJM-UHFFFAOYSA-N -1 3 399.484 0.954 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573462653 945943754 /nfs/dbraw/zinc/94/37/54/945943754.db2.gz LRHKROIOXSFZTH-UHFFFAOYSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573462653 945943764 /nfs/dbraw/zinc/94/37/64/945943764.db2.gz LRHKROIOXSFZTH-UHFFFAOYSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573462736 945945224 /nfs/dbraw/zinc/94/52/24/945945224.db2.gz MQIBOKIUCLQJEN-SNVBAGLBSA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573462939 945946115 /nfs/dbraw/zinc/94/61/15/945946115.db2.gz PFAZLTRMDASEGW-QWHCGFSZSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573462939 945946124 /nfs/dbraw/zinc/94/61/24/945946124.db2.gz PFAZLTRMDASEGW-QWHCGFSZSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573462954 945946699 /nfs/dbraw/zinc/94/66/99/945946699.db2.gz PQAHLNZKJRMDFZ-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573462954 945946702 /nfs/dbraw/zinc/94/67/02/945946702.db2.gz PQAHLNZKJRMDFZ-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573462933 945946710 /nfs/dbraw/zinc/94/67/10/945946710.db2.gz PDSCAVGSJPREKR-JTQLQIEISA-N -1 3 377.424 0.861 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573462933 945946715 /nfs/dbraw/zinc/94/67/15/945946715.db2.gz PDSCAVGSJPREKR-JTQLQIEISA-N -1 3 377.424 0.861 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001573462962 945947378 /nfs/dbraw/zinc/94/73/78/945947378.db2.gz PWDQKFAMIQKJKG-BXUZGUMPSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001573462962 945947390 /nfs/dbraw/zinc/94/73/90/945947390.db2.gz PWDQKFAMIQKJKG-BXUZGUMPSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573462937 945947714 /nfs/dbraw/zinc/94/77/14/945947714.db2.gz PFAZLTRMDASEGW-OLZOCXBDSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573462937 945947723 /nfs/dbraw/zinc/94/77/23/945947723.db2.gz PFAZLTRMDASEGW-OLZOCXBDSA-N -1 3 386.460 0.873 20 0 GCADHM CCOC(=O)[C@H](C[C@H]1CCCO1)N[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571286573 945952179 /nfs/dbraw/zinc/95/21/79/945952179.db2.gz LIUGYIBNGHPBFB-ILXRZTDVSA-N -1 3 388.428 0.484 20 0 GCADHM CCOC(=O)[C@H](C[C@H]1CCCO1)N[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571286573 945952185 /nfs/dbraw/zinc/95/21/85/945952185.db2.gz LIUGYIBNGHPBFB-ILXRZTDVSA-N -1 3 388.428 0.484 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573463158 945952339 /nfs/dbraw/zinc/95/23/39/945952339.db2.gz RTDJLZLWAHSHGV-BXUZGUMPSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573463158 945952349 /nfs/dbraw/zinc/95/23/49/945952349.db2.gz RTDJLZLWAHSHGV-BXUZGUMPSA-N -1 3 386.460 0.650 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001571286558 945952855 /nfs/dbraw/zinc/95/28/55/945952855.db2.gz LARYGYXZAMJDOC-IONNQARKSA-N -1 3 388.413 0.390 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001573463327 945954232 /nfs/dbraw/zinc/95/42/32/945954232.db2.gz UYDJAAXVYLNOIZ-AAEUAGOBSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001573463327 945954243 /nfs/dbraw/zinc/95/42/43/945954243.db2.gz UYDJAAXVYLNOIZ-AAEUAGOBSA-N -1 3 386.460 0.650 20 0 GCADHM Cc1c(NCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cccc1C(=O)NCCO ZINC000822123282 945964182 /nfs/dbraw/zinc/96/41/82/945964182.db2.gz YOKNNWGEWNZFTF-UHFFFAOYSA-N -1 3 395.423 0.948 20 0 GCADHM Cc1c(NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cccc1C(=O)NCCO ZINC000822123282 945964186 /nfs/dbraw/zinc/96/41/86/945964186.db2.gz YOKNNWGEWNZFTF-UHFFFAOYSA-N -1 3 395.423 0.948 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1C ZINC001573464128 945964602 /nfs/dbraw/zinc/96/46/02/945964602.db2.gz GGDLEIPLXKSGRV-QMTHXVAHSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1C ZINC001573464128 945964613 /nfs/dbraw/zinc/96/46/13/945964613.db2.gz GGDLEIPLXKSGRV-QMTHXVAHSA-N -1 3 386.460 0.426 20 0 GCADHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001571287059 945967755 /nfs/dbraw/zinc/96/77/55/945967755.db2.gz ZMDKGXITQZOIDV-UGUYLWEFSA-N -1 3 388.428 0.345 20 0 GCADHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001571287059 945967759 /nfs/dbraw/zinc/96/77/59/945967759.db2.gz ZMDKGXITQZOIDV-UGUYLWEFSA-N -1 3 388.428 0.345 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573467325 945976050 /nfs/dbraw/zinc/97/60/50/945976050.db2.gz BQUONQXXHCOFHE-NSHDSACASA-N -1 3 377.424 0.421 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573467325 945976060 /nfs/dbraw/zinc/97/60/60/945976060.db2.gz BQUONQXXHCOFHE-NSHDSACASA-N -1 3 377.424 0.421 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573467758 945983938 /nfs/dbraw/zinc/98/39/38/945983938.db2.gz HHFFUYBJBUWZAI-ZDUSSCGKSA-N -1 3 388.476 0.768 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573467758 945983945 /nfs/dbraw/zinc/98/39/45/945983945.db2.gz HHFFUYBJBUWZAI-ZDUSSCGKSA-N -1 3 388.476 0.768 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573467754 945984335 /nfs/dbraw/zinc/98/43/35/945984335.db2.gz HEYNDCJCVIQCHK-LBPRGKRZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573467754 945984340 /nfs/dbraw/zinc/98/43/40/945984340.db2.gz HEYNDCJCVIQCHK-LBPRGKRZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573468543 945995078 /nfs/dbraw/zinc/99/50/78/945995078.db2.gz OYFSHILFMDQXEJ-JTQLQIEISA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573468543 945995084 /nfs/dbraw/zinc/99/50/84/945995084.db2.gz OYFSHILFMDQXEJ-JTQLQIEISA-N -1 3 390.423 0.353 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@H](C)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822210869 945996499 /nfs/dbraw/zinc/99/64/99/945996499.db2.gz ULFFJWMENBUPQZ-MEBBXXQBSA-N -1 3 398.379 0.373 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@H](C)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822210869 945996505 /nfs/dbraw/zinc/99/65/05/945996505.db2.gz ULFFJWMENBUPQZ-MEBBXXQBSA-N -1 3 398.379 0.373 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](CO)Cc1cccnc1 ZINC001571289679 946015199 /nfs/dbraw/zinc/01/51/99/946015199.db2.gz KAVKZEHNLRBBKV-CQSZACIVSA-N -1 3 388.453 0.700 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](CO)Cc1cccnc1 ZINC001571289679 946015210 /nfs/dbraw/zinc/01/52/10/946015210.db2.gz KAVKZEHNLRBBKV-CQSZACIVSA-N -1 3 388.453 0.700 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470043 946017845 /nfs/dbraw/zinc/01/78/45/946017845.db2.gz AWQWPFNJMAHBFR-BXKDBHETSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470043 946017856 /nfs/dbraw/zinc/01/78/56/946017856.db2.gz AWQWPFNJMAHBFR-BXKDBHETSA-N -1 3 376.396 0.328 20 0 GCADHM CCn1ncc(C(=O)N(C)[C@@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C2)n1 ZINC001571289865 946020606 /nfs/dbraw/zinc/02/06/06/946020606.db2.gz OIFGZALTTNVTKK-SNVBAGLBSA-N -1 3 388.461 0.594 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001573470442 946024086 /nfs/dbraw/zinc/02/40/86/946024086.db2.gz FDYGOKZCUWINHJ-DFBGVHRSSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001573470442 946024096 /nfs/dbraw/zinc/02/40/96/946024096.db2.gz FDYGOKZCUWINHJ-DFBGVHRSSA-N -1 3 384.444 0.356 20 0 GCADHM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3cn(C)nn3)CC2)c1-c1nnn[n-]1 ZINC001571290017 946025539 /nfs/dbraw/zinc/02/55/39/946025539.db2.gz SPMDBCOFERTNJF-MGCOHNPYSA-N -1 3 388.461 0.913 20 0 GCADHM O=C(NC[C@H]1CN(CCc2ccns2)CCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571290026 946025681 /nfs/dbraw/zinc/02/56/81/946025681.db2.gz SVYJVCRDDCAILB-LBPRGKRZSA-N -1 3 388.457 0.325 20 0 GCADHM O=C(NC[C@H]1CN(CCc2ccns2)CCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571290026 946025689 /nfs/dbraw/zinc/02/56/89/946025689.db2.gz SVYJVCRDDCAILB-LBPRGKRZSA-N -1 3 388.457 0.325 20 0 GCADHM CN(C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1c[nH]c(=O)n1C ZINC001571290102 946027909 /nfs/dbraw/zinc/02/79/09/946027909.db2.gz VGXLTOCYJNAWLH-JTQLQIEISA-N -1 3 388.457 0.714 20 0 GCADHM CN(C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1c[nH]c(=O)n1C ZINC001571290102 946027920 /nfs/dbraw/zinc/02/79/20/946027920.db2.gz VGXLTOCYJNAWLH-JTQLQIEISA-N -1 3 388.457 0.714 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573470577 946029647 /nfs/dbraw/zinc/02/96/47/946029647.db2.gz HEEJENSEQJOYKA-ONGXEEELSA-N -1 3 378.462 0.417 20 0 GCADHM Cc1nsc(N2CC[C@@H](NC(=O)c3cccn3C)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571290136 946031179 /nfs/dbraw/zinc/03/11/79/946031179.db2.gz VWYFQEXLSBPYIW-PWSUYJOCSA-N -1 3 388.457 0.340 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470679 946032178 /nfs/dbraw/zinc/03/21/78/946032178.db2.gz INUWEWJIBUGPJU-ZYHUDNBSSA-N -1 3 390.423 0.210 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470679 946032191 /nfs/dbraw/zinc/03/21/91/946032191.db2.gz INUWEWJIBUGPJU-ZYHUDNBSSA-N -1 3 390.423 0.210 20 0 GCADHM CCCC(=O)N1CC[C@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC001571290156 946032927 /nfs/dbraw/zinc/03/29/27/946032927.db2.gz WJTQFFCDXOUYSN-AWEZNQCLSA-N -1 3 388.451 0.924 20 0 GCADHM CCCC(=O)N1CC[C@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001571290156 946032941 /nfs/dbraw/zinc/03/29/41/946032941.db2.gz WJTQFFCDXOUYSN-AWEZNQCLSA-N -1 3 388.451 0.924 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001571290350 946037850 /nfs/dbraw/zinc/03/78/50/946037850.db2.gz BFGWOGRAZBZCGN-SNVBAGLBSA-N -1 3 388.823 0.395 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001571290350 946037863 /nfs/dbraw/zinc/03/78/63/946037863.db2.gz BFGWOGRAZBZCGN-SNVBAGLBSA-N -1 3 388.823 0.395 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573471338 946046030 /nfs/dbraw/zinc/04/60/30/946046030.db2.gz NUQWZSLPKOVIGA-PWSUYJOCSA-N -1 3 392.489 0.583 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571290454 946046215 /nfs/dbraw/zinc/04/62/15/946046215.db2.gz FLLWOYHDYJLAIR-PRHODGIISA-N -1 3 388.823 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571290454 946046229 /nfs/dbraw/zinc/04/62/29/946046229.db2.gz FLLWOYHDYJLAIR-PRHODGIISA-N -1 3 388.823 0.616 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573471337 946047659 /nfs/dbraw/zinc/04/76/59/946047659.db2.gz NUQWZSLPKOVIGA-JQWIXIFHSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573471375 946049801 /nfs/dbraw/zinc/04/98/01/946049801.db2.gz OIFRKFYKQMFOOQ-CABZTGNLSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573471375 946049815 /nfs/dbraw/zinc/04/98/15/946049815.db2.gz OIFRKFYKQMFOOQ-CABZTGNLSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573471639 946053568 /nfs/dbraw/zinc/05/35/68/946053568.db2.gz PXJUXRNYBFTWCP-JTQLQIEISA-N -1 3 392.489 0.949 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573471583 946053929 /nfs/dbraw/zinc/05/39/29/946053929.db2.gz POQFUSQGFUHLAZ-GFCCVEGCSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573471583 946053943 /nfs/dbraw/zinc/05/39/43/946053943.db2.gz POQFUSQGFUHLAZ-GFCCVEGCSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573471779 946055269 /nfs/dbraw/zinc/05/52/69/946055269.db2.gz RAPUJMNLKVNFBN-FZMZJTMJSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573471779 946055279 /nfs/dbraw/zinc/05/52/79/946055279.db2.gz RAPUJMNLKVNFBN-FZMZJTMJSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573472133 946056953 /nfs/dbraw/zinc/05/69/53/946056953.db2.gz SRCGQUCZTSDNQS-JSGCOSHPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573472133 946056967 /nfs/dbraw/zinc/05/69/67/946056967.db2.gz SRCGQUCZTSDNQS-JSGCOSHPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573472132 946057299 /nfs/dbraw/zinc/05/72/99/946057299.db2.gz SRCGQUCZTSDNQS-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573472132 946057312 /nfs/dbraw/zinc/05/73/12/946057312.db2.gz SRCGQUCZTSDNQS-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573472202 946062871 /nfs/dbraw/zinc/06/28/71/946062871.db2.gz USNSUUPMUTZEJP-GXSJLCMTSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573472202 946062882 /nfs/dbraw/zinc/06/28/82/946062882.db2.gz USNSUUPMUTZEJP-GXSJLCMTSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001573472340 946064254 /nfs/dbraw/zinc/06/42/54/946064254.db2.gz VOCKRBUNLWIIBW-OCCSQVGLSA-N -1 3 386.460 0.969 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)n1 ZINC001571290976 946064356 /nfs/dbraw/zinc/06/43/56/946064356.db2.gz WHZQCWYWQXFJLF-SNVBAGLBSA-N -1 3 388.823 0.760 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)n1 ZINC001571290976 946064366 /nfs/dbraw/zinc/06/43/66/946064366.db2.gz WHZQCWYWQXFJLF-SNVBAGLBSA-N -1 3 388.823 0.760 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001573472340 946064265 /nfs/dbraw/zinc/06/42/65/946064265.db2.gz VOCKRBUNLWIIBW-OCCSQVGLSA-N -1 3 386.460 0.969 20 0 GCADHM O=C(c1ccnn1CC(F)F)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571291167 946067416 /nfs/dbraw/zinc/06/74/16/946067416.db2.gz FHKLXOUQPYZVIY-UHFFFAOYSA-N -1 3 389.370 0.686 20 0 GCADHM O=C(c1ccnn1CC(F)F)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571291167 946067425 /nfs/dbraw/zinc/06/74/25/946067425.db2.gz FHKLXOUQPYZVIY-UHFFFAOYSA-N -1 3 389.370 0.686 20 0 GCADHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1NC(=O)c1cnns1 ZINC001571291126 946067504 /nfs/dbraw/zinc/06/75/04/946067504.db2.gz CGPYGIIEIVRYTI-LLVKDONJSA-N -1 3 389.420 0.897 20 0 GCADHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1NC(=O)c1cnns1 ZINC001571291126 946067514 /nfs/dbraw/zinc/06/75/14/946067514.db2.gz CGPYGIIEIVRYTI-LLVKDONJSA-N -1 3 389.420 0.897 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001573472618 946067804 /nfs/dbraw/zinc/06/78/04/946067804.db2.gz WNZRTWCXRZFING-HFBAOOFYSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573472618 946067817 /nfs/dbraw/zinc/06/78/17/946067817.db2.gz WNZRTWCXRZFING-HFBAOOFYSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573472404 946068044 /nfs/dbraw/zinc/06/80/44/946068044.db2.gz WHZFCTPAUDUSBV-SECBINFHSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573472404 946068056 /nfs/dbraw/zinc/06/80/56/946068056.db2.gz WHZFCTPAUDUSBV-SECBINFHSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573472397 946068831 /nfs/dbraw/zinc/06/88/31/946068831.db2.gz WFQVQHMFFICYHR-IUODEOHRSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573472397 946068845 /nfs/dbraw/zinc/06/88/45/946068845.db2.gz WFQVQHMFFICYHR-IUODEOHRSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573472685 946071403 /nfs/dbraw/zinc/07/14/03/946071403.db2.gz XIDBQRNMOAZWNW-KOLCDFICSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573472685 946071417 /nfs/dbraw/zinc/07/14/17/946071417.db2.gz XIDBQRNMOAZWNW-KOLCDFICSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573472707 946071662 /nfs/dbraw/zinc/07/16/62/946071662.db2.gz XTTUXVBHEYXWQZ-SNVBAGLBSA-N -1 3 392.489 0.583 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCN(C)C(=O)C2)c(-c2nnn[n-]2)cn1CC ZINC001571291255 946074393 /nfs/dbraw/zinc/07/43/93/946074393.db2.gz HNPFMFKGDPCKAV-SNVBAGLBSA-N -1 3 389.416 0.672 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCN(C)C(=O)C2)c(-c2nn[n-]n2)cn1CC ZINC001571291255 946074402 /nfs/dbraw/zinc/07/44/02/946074402.db2.gz HNPFMFKGDPCKAV-SNVBAGLBSA-N -1 3 389.416 0.672 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573473146 946076300 /nfs/dbraw/zinc/07/63/00/946076300.db2.gz ZNIZJVMEVTUGRH-WCQYABFASA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573473146 946076313 /nfs/dbraw/zinc/07/63/13/946076313.db2.gz ZNIZJVMEVTUGRH-WCQYABFASA-N -1 3 389.435 0.958 20 0 GCADHM O=C(Cn1ccc(C(F)F)n1)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571291591 946076711 /nfs/dbraw/zinc/07/67/11/946076711.db2.gz MFWBFEKFAJORGI-JTQLQIEISA-N -1 3 389.370 0.791 20 0 GCADHM O=C(Cn1ccc(C(F)F)n1)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571291591 946076725 /nfs/dbraw/zinc/07/67/25/946076725.db2.gz MFWBFEKFAJORGI-JTQLQIEISA-N -1 3 389.370 0.791 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571291568 946078966 /nfs/dbraw/zinc/07/89/66/946078966.db2.gz LJOQDXDKASOMEH-CABCVRRESA-N -1 3 389.366 0.448 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571291568 946078978 /nfs/dbraw/zinc/07/89/78/946078978.db2.gz LJOQDXDKASOMEH-CABCVRRESA-N -1 3 389.366 0.448 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573473467 946081204 /nfs/dbraw/zinc/08/12/04/946081204.db2.gz CSQQBFPHXWPMET-GFCCVEGCSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573473788 946083831 /nfs/dbraw/zinc/08/38/31/946083831.db2.gz FOQZRUPFVVVQLK-LKTVYLICSA-N -1 3 387.419 0.316 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573473788 946083841 /nfs/dbraw/zinc/08/38/41/946083841.db2.gz FOQZRUPFVVVQLK-LKTVYLICSA-N -1 3 387.419 0.316 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573474141 946084536 /nfs/dbraw/zinc/08/45/36/946084536.db2.gz IMWUUDZYFPMPPH-ISTVAULSSA-N -1 3 375.408 0.789 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573474141 946084545 /nfs/dbraw/zinc/08/45/45/946084545.db2.gz IMWUUDZYFPMPPH-ISTVAULSSA-N -1 3 375.408 0.789 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573474135 946084741 /nfs/dbraw/zinc/08/47/41/946084741.db2.gz IMWUUDZYFPMPPH-GPCCPHFNSA-N -1 3 375.408 0.789 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573474135 946084757 /nfs/dbraw/zinc/08/47/57/946084757.db2.gz IMWUUDZYFPMPPH-GPCCPHFNSA-N -1 3 375.408 0.789 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1O)c1ccsn1 ZINC001571291995 946087609 /nfs/dbraw/zinc/08/76/09/946087609.db2.gz SHUBGPFSOZBQEW-KGLIPLIRSA-N -1 3 389.416 0.437 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@](C)(CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573474386 946090783 /nfs/dbraw/zinc/09/07/83/946090783.db2.gz LCOAAWOJXDEAOL-XLFHBGCDSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@](C)(CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573474386 946090788 /nfs/dbraw/zinc/09/07/88/946090788.db2.gz LCOAAWOJXDEAOL-XLFHBGCDSA-N -1 3 390.423 0.622 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571292246 946091680 /nfs/dbraw/zinc/09/16/80/946091680.db2.gz WJWRYYNVYGUPJX-QWRGUYRKSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571292246 946091694 /nfs/dbraw/zinc/09/16/94/946091694.db2.gz WJWRYYNVYGUPJX-QWRGUYRKSA-N -1 3 389.416 0.067 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@](C)(CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573474367 946092508 /nfs/dbraw/zinc/09/25/08/946092508.db2.gz KXYGTPRINBZEFM-XXFAHNHDSA-N -1 3 392.489 0.853 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001571292296 946092888 /nfs/dbraw/zinc/09/28/88/946092888.db2.gz XKIJZGPODBAYLW-CQSZACIVSA-N -1 3 389.391 0.149 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001571292296 946092898 /nfs/dbraw/zinc/09/28/98/946092898.db2.gz XKIJZGPODBAYLW-CQSZACIVSA-N -1 3 389.391 0.149 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573474817 946094679 /nfs/dbraw/zinc/09/46/79/946094679.db2.gz OAQOGLFSISWFPQ-JQWIXIFHSA-N -1 3 391.407 0.170 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573474817 946094688 /nfs/dbraw/zinc/09/46/88/946094688.db2.gz OAQOGLFSISWFPQ-JQWIXIFHSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=COCCO2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571292375 946094876 /nfs/dbraw/zinc/09/48/76/946094876.db2.gz YPHAGUDDONGPHV-ZWNOBZJWSA-N -1 3 389.391 0.763 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=COCCO2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571292375 946094889 /nfs/dbraw/zinc/09/48/89/946094889.db2.gz YPHAGUDDONGPHV-ZWNOBZJWSA-N -1 3 389.391 0.763 20 0 GCADHM O=C(CN1CCOCC1)N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001571293279 946100429 /nfs/dbraw/zinc/10/04/29/946100429.db2.gz DEOORGXEQVDNMU-UHFFFAOYSA-N -1 3 389.435 0.377 20 0 GCADHM O=C(CN1CCOCC1)N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001571293279 946100435 /nfs/dbraw/zinc/10/04/35/946100435.db2.gz DEOORGXEQVDNMU-UHFFFAOYSA-N -1 3 389.435 0.377 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@H](O)Cn2ccnn2)cc1-c1nnn[n-]1 ZINC001571293317 946100842 /nfs/dbraw/zinc/10/08/42/946100842.db2.gz FFEDXJTZECXCFL-NSHDSACASA-N -1 3 389.445 0.040 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@H](O)Cn2ccnn2)cc1-c1nn[n-]n1 ZINC001571293317 946100848 /nfs/dbraw/zinc/10/08/48/946100848.db2.gz FFEDXJTZECXCFL-NSHDSACASA-N -1 3 389.445 0.040 20 0 GCADHM COCCc1nsc(N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571293540 946107466 /nfs/dbraw/zinc/10/74/66/946107466.db2.gz KPYANQCHUFDLPK-SNVBAGLBSA-N -1 3 389.445 0.562 20 0 GCADHM COCCc1nsc(N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571293540 946107478 /nfs/dbraw/zinc/10/74/78/946107478.db2.gz KPYANQCHUFDLPK-SNVBAGLBSA-N -1 3 389.445 0.562 20 0 GCADHM CO[C@@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001571293554 946109272 /nfs/dbraw/zinc/10/92/72/946109272.db2.gz LAVYBVIVUCMFKH-IUODEOHRSA-N -1 3 389.460 0.929 20 0 GCADHM CO[C@@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001571293554 946109283 /nfs/dbraw/zinc/10/92/83/946109283.db2.gz LAVYBVIVUCMFKH-IUODEOHRSA-N -1 3 389.460 0.929 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573476074 946112490 /nfs/dbraw/zinc/11/24/90/946112490.db2.gz YMSHENNFCAIQKE-XUJVJEKNSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573476074 946112493 /nfs/dbraw/zinc/11/24/93/946112493.db2.gz YMSHENNFCAIQKE-XUJVJEKNSA-N -1 3 386.460 0.825 20 0 GCADHM Cc1nonc1CC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001571293704 946112748 /nfs/dbraw/zinc/11/27/48/946112748.db2.gz PPDRIIRVEJGUEH-SNVBAGLBSA-N -1 3 389.445 0.651 20 0 GCADHM Cn1nccc1[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001571293726 946114082 /nfs/dbraw/zinc/11/40/82/946114082.db2.gz PWPOIYDCENQUDC-WFASDCNBSA-N -1 3 389.441 0.799 20 0 GCADHM Cn1nccc1[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001571293726 946114088 /nfs/dbraw/zinc/11/40/88/946114088.db2.gz PWPOIYDCENQUDC-WFASDCNBSA-N -1 3 389.441 0.799 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001573476204 946116306 /nfs/dbraw/zinc/11/63/06/946116306.db2.gz DQNYQILMPDUFTC-RNCFNFMXSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001573476204 946116312 /nfs/dbraw/zinc/11/63/12/946116312.db2.gz DQNYQILMPDUFTC-RNCFNFMXSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)C[C@H]1CS(N)(=O)=O ZINC001571293931 946120886 /nfs/dbraw/zinc/12/08/86/946120886.db2.gz WJGSFBSSYHFICY-KOLCDFICSA-N -1 3 389.441 0.345 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)C[C@H]1CS(N)(=O)=O ZINC001571293931 946120893 /nfs/dbraw/zinc/12/08/93/946120893.db2.gz WJGSFBSSYHFICY-KOLCDFICSA-N -1 3 389.441 0.345 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CC1(C)C ZINC001573476474 946121824 /nfs/dbraw/zinc/12/18/24/946121824.db2.gz HFFQDDXFMFPRLB-SMDDNHRTSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CC1(C)C ZINC001573476474 946121834 /nfs/dbraw/zinc/12/18/34/946121834.db2.gz HFFQDDXFMFPRLB-SMDDNHRTSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573476671 946124339 /nfs/dbraw/zinc/12/43/39/946124339.db2.gz IOJNVHUQARGKSC-GXTWGEPZSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573476671 946124345 /nfs/dbraw/zinc/12/43/45/946124345.db2.gz IOJNVHUQARGKSC-GXTWGEPZSA-N -1 3 386.460 0.570 20 0 GCADHM Cc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571294174 946127679 /nfs/dbraw/zinc/12/76/79/946127679.db2.gz AGKMTLMHIKVLON-UHFFFAOYSA-N -1 3 389.851 0.848 20 0 GCADHM Cc1nn(C)c(Cl)c1CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571294174 946127694 /nfs/dbraw/zinc/12/76/94/946127694.db2.gz AGKMTLMHIKVLON-UHFFFAOYSA-N -1 3 389.851 0.848 20 0 GCADHM COc1ncc(Cl)c(N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571294161 946128321 /nfs/dbraw/zinc/12/83/21/946128321.db2.gz BTMSNAUSMCEHQX-VIFPVBQESA-N -1 3 389.807 0.656 20 0 GCADHM COc1ncc(Cl)c(N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571294161 946128324 /nfs/dbraw/zinc/12/83/24/946128324.db2.gz BTMSNAUSMCEHQX-VIFPVBQESA-N -1 3 389.807 0.656 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573477065 946128437 /nfs/dbraw/zinc/12/84/37/946128437.db2.gz LYNQDGUXXHZYOE-BXKDBHETSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573477065 946128440 /nfs/dbraw/zinc/12/84/40/946128440.db2.gz LYNQDGUXXHZYOE-BXKDBHETSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CC1(C)C ZINC001573477311 946131491 /nfs/dbraw/zinc/13/14/91/946131491.db2.gz ONPZYIMNMWHXDJ-TVQRCGJNSA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CC1(C)C ZINC001573477311 946131503 /nfs/dbraw/zinc/13/15/03/946131503.db2.gz ONPZYIMNMWHXDJ-TVQRCGJNSA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573477307 946132075 /nfs/dbraw/zinc/13/20/75/946132075.db2.gz ONFOGDTXYDHAAY-DUACVJHASA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573477307 946132083 /nfs/dbraw/zinc/13/20/83/946132083.db2.gz ONFOGDTXYDHAAY-DUACVJHASA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573477308 946132458 /nfs/dbraw/zinc/13/24/58/946132458.db2.gz ONFOGDTXYDHAAY-JNHNWMDNSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573477308 946132464 /nfs/dbraw/zinc/13/24/64/946132464.db2.gz ONFOGDTXYDHAAY-JNHNWMDNSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)CC(C)C ZINC001573477300 946132817 /nfs/dbraw/zinc/13/28/17/946132817.db2.gz OCMDWYNKKXVWQY-ZWNOBZJWSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)CC(C)C ZINC001573477300 946132825 /nfs/dbraw/zinc/13/28/25/946132825.db2.gz OCMDWYNKKXVWQY-ZWNOBZJWSA-N -1 3 392.439 0.868 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)[nH]c1=O ZINC001571294452 946133662 /nfs/dbraw/zinc/13/36/62/946133662.db2.gz GYWZJPLRVPNXRD-VIFPVBQESA-N -1 3 389.807 0.363 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573477380 946134438 /nfs/dbraw/zinc/13/44/38/946134438.db2.gz PMJCCIQNCSRVBQ-DTWKUNHWSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573477380 946134445 /nfs/dbraw/zinc/13/44/45/946134445.db2.gz PMJCCIQNCSRVBQ-DTWKUNHWSA-N -1 3 380.840 0.746 20 0 GCADHM Cn1cc(Cl)c(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571294601 946139398 /nfs/dbraw/zinc/13/93/98/946139398.db2.gz JZUIEKSHGABKMI-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1cc(Cl)c(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571294601 946139401 /nfs/dbraw/zinc/13/94/01/946139401.db2.gz JZUIEKSHGABKMI-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573477771 946141053 /nfs/dbraw/zinc/14/10/53/946141053.db2.gz UAFCHSGEHAUHDW-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573477771 946141061 /nfs/dbraw/zinc/14/10/61/946141061.db2.gz UAFCHSGEHAUHDW-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573477610 946141182 /nfs/dbraw/zinc/14/11/82/946141182.db2.gz SQWGYAZFBFPGOF-XHDPSFHLSA-N -1 3 389.435 0.611 20 0 GCADHM O=C(N[C@H]1CCN(c2ncncc2Cl)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571294646 946141381 /nfs/dbraw/zinc/14/13/81/946141381.db2.gz KQYNSKNUSZDQNH-CMPLNLGQSA-N -1 3 389.807 0.008 20 0 GCADHM O=C(N[C@H]1CCN(c2ncncc2Cl)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571294646 946141386 /nfs/dbraw/zinc/14/13/86/946141386.db2.gz KQYNSKNUSZDQNH-CMPLNLGQSA-N -1 3 389.807 0.008 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573477582 946141551 /nfs/dbraw/zinc/14/15/51/946141551.db2.gz SDTSPXBVWUFIGN-KCJUWKMLSA-N -1 3 378.824 0.135 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573477582 946141557 /nfs/dbraw/zinc/14/15/57/946141557.db2.gz SDTSPXBVWUFIGN-KCJUWKMLSA-N -1 3 378.824 0.135 20 0 GCADHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1NCc1nn(C)cc1Cl ZINC001571294667 946141632 /nfs/dbraw/zinc/14/16/32/946141632.db2.gz LLDBZNYBEYMDSQ-XPTSAGLGSA-N -1 3 389.851 0.832 20 0 GCADHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1NCc1nn(C)cc1Cl ZINC001571294667 946141639 /nfs/dbraw/zinc/14/16/39/946141639.db2.gz LLDBZNYBEYMDSQ-XPTSAGLGSA-N -1 3 389.851 0.832 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573477816 946143648 /nfs/dbraw/zinc/14/36/48/946143648.db2.gz UJVSUZXSTNFOHV-GWCFXTLKSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573477816 946143655 /nfs/dbraw/zinc/14/36/55/946143655.db2.gz UJVSUZXSTNFOHV-GWCFXTLKSA-N -1 3 375.408 0.221 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1ccoc1Cl ZINC001571294709 946144074 /nfs/dbraw/zinc/14/40/74/946144074.db2.gz LAJSBRLZNHSNQQ-NWDGAFQWSA-N -1 3 389.803 0.878 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1ccoc1Cl ZINC001571294709 946144080 /nfs/dbraw/zinc/14/40/80/946144080.db2.gz LAJSBRLZNHSNQQ-NWDGAFQWSA-N -1 3 389.803 0.878 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571294804 946145950 /nfs/dbraw/zinc/14/59/50/946145950.db2.gz MHPRSCIEVBJKPK-SNVBAGLBSA-N -1 3 389.807 0.076 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571294804 946145955 /nfs/dbraw/zinc/14/59/55/946145955.db2.gz MHPRSCIEVBJKPK-SNVBAGLBSA-N -1 3 389.807 0.076 20 0 GCADHM Cn1cc(Cl)c(CN2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571294874 946147811 /nfs/dbraw/zinc/14/78/11/946147811.db2.gz ONBZUORKHWOZSL-MRXNPFEDSA-N -1 3 389.851 0.976 20 0 GCADHM Cn1cc(Cl)c(CN2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571294874 946147817 /nfs/dbraw/zinc/14/78/17/946147817.db2.gz ONBZUORKHWOZSL-MRXNPFEDSA-N -1 3 389.851 0.976 20 0 GCADHM Cn1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)ccc1=O ZINC000822670035 946149615 /nfs/dbraw/zinc/14/96/15/946149615.db2.gz ZGBVXWPMGZYXIW-UHFFFAOYSA-N -1 3 395.423 0.779 20 0 GCADHM Cn1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)ccc1=O ZINC000822670035 946149622 /nfs/dbraw/zinc/14/96/22/946149622.db2.gz ZGBVXWPMGZYXIW-UHFFFAOYSA-N -1 3 395.423 0.779 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573478587 946149968 /nfs/dbraw/zinc/14/99/68/946149968.db2.gz XKCYGVBUOJXWJU-SDBXPKJASA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573478587 946149974 /nfs/dbraw/zinc/14/99/74/946149974.db2.gz XKCYGVBUOJXWJU-SDBXPKJASA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573478807 946151686 /nfs/dbraw/zinc/15/16/86/946151686.db2.gz YVMPHLYNTABTDP-MNOVXSKESA-N -1 3 377.424 0.467 20 0 GCADHM O=C(Cn1ncnn1)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571295115 946154223 /nfs/dbraw/zinc/15/42/23/946154223.db2.gz TWCDOUSVAMKXBL-JTQLQIEISA-N -1 3 389.811 0.005 20 0 GCADHM O=C(Cn1ncnn1)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571295115 946154229 /nfs/dbraw/zinc/15/42/29/946154229.db2.gz TWCDOUSVAMKXBL-JTQLQIEISA-N -1 3 389.811 0.005 20 0 GCADHM Cn1c(Cl)cnc1CN1CC[C@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571295125 946155477 /nfs/dbraw/zinc/15/54/77/946155477.db2.gz UJQYQSKUSRRJFG-INIZCTEOSA-N -1 3 389.851 0.976 20 0 GCADHM Cn1c(Cl)cnc1CN1CC[C@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571295125 946155482 /nfs/dbraw/zinc/15/54/82/946155482.db2.gz UJQYQSKUSRRJFG-INIZCTEOSA-N -1 3 389.851 0.976 20 0 GCADHM Cn1ccc(NC(=O)Cc2ccc(Br)cc2-c2nnn[n-]2)nc1=O ZINC001571295347 946162058 /nfs/dbraw/zinc/16/20/58/946162058.db2.gz YOCAQOUURWSDSO-UHFFFAOYSA-N -1 3 390.201 0.738 20 0 GCADHM Cn1ccc(NC(=O)Cc2ccc(Br)cc2-c2nn[n-]n2)nc1=O ZINC001571295347 946162065 /nfs/dbraw/zinc/16/20/65/946162065.db2.gz YOCAQOUURWSDSO-UHFFFAOYSA-N -1 3 390.201 0.738 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573479578 946162811 /nfs/dbraw/zinc/16/28/11/946162811.db2.gz FMLCISNRSZHRKF-PWSUYJOCSA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CC(Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573479743 946165320 /nfs/dbraw/zinc/16/53/20/946165320.db2.gz GYQZLTVMRDODCL-JNHNWMDNSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CC(Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573479743 946165325 /nfs/dbraw/zinc/16/53/25/946165325.db2.gz GYQZLTVMRDODCL-JNHNWMDNSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001573480301 946172498 /nfs/dbraw/zinc/17/24/98/946172498.db2.gz KMNWAAFDJZJZQM-XYJRDEOASA-N -1 3 387.419 0.329 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001573480301 946172506 /nfs/dbraw/zinc/17/25/06/946172506.db2.gz KMNWAAFDJZJZQM-XYJRDEOASA-N -1 3 387.419 0.329 20 0 GCADHM COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001571295823 946175928 /nfs/dbraw/zinc/17/59/28/946175928.db2.gz GYQGQQUEXBNMBH-UHFFFAOYSA-N -1 3 390.400 0.609 20 0 GCADHM COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001571295823 946175931 /nfs/dbraw/zinc/17/59/31/946175931.db2.gz GYQGQQUEXBNMBH-UHFFFAOYSA-N -1 3 390.400 0.609 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCOC1 ZINC001571295935 946180075 /nfs/dbraw/zinc/18/00/75/946180075.db2.gz JYHNREHBAWSNGM-KGLIPLIRSA-N -1 3 390.419 0.359 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)[C@@H]1CCOC1 ZINC001571295935 946180084 /nfs/dbraw/zinc/18/00/84/946180084.db2.gz JYHNREHBAWSNGM-KGLIPLIRSA-N -1 3 390.419 0.359 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O)[C@H]1CCCOC1 ZINC001571296066 946184032 /nfs/dbraw/zinc/18/40/32/946184032.db2.gz MQTYUDPJWSSXHQ-XZJROXQQSA-N -1 3 390.419 0.094 20 0 GCADHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 ZINC001571296198 946188053 /nfs/dbraw/zinc/18/80/53/946188053.db2.gz QEOARNBWOHYGSN-SNVBAGLBSA-N -1 3 390.429 0.066 20 0 GCADHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 ZINC001571296198 946188059 /nfs/dbraw/zinc/18/80/59/946188059.db2.gz QEOARNBWOHYGSN-SNVBAGLBSA-N -1 3 390.429 0.066 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@H]1COCCO1 ZINC001571296261 946189873 /nfs/dbraw/zinc/18/98/73/946189873.db2.gz SCPLMCUSISKLJC-GDBMZVCRSA-N -1 3 390.419 0.502 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573482055 946191007 /nfs/dbraw/zinc/19/10/07/946191007.db2.gz UEPJDHSXFGJZLE-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573482055 946191012 /nfs/dbraw/zinc/19/10/12/946191012.db2.gz UEPJDHSXFGJZLE-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CO[C@@H](C)C(=O)N1CCOC2(CN(Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001571296487 946195814 /nfs/dbraw/zinc/19/58/14/946195814.db2.gz ZGJBHDJQOLMLBY-LBPRGKRZSA-N -1 3 390.419 0.454 20 0 GCADHM CO[C@@H](C)C(=O)N1CCOC2(CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001571296487 946195819 /nfs/dbraw/zinc/19/58/19/946195819.db2.gz ZGJBHDJQOLMLBY-LBPRGKRZSA-N -1 3 390.419 0.454 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001573482436 946195813 /nfs/dbraw/zinc/19/58/13/946195813.db2.gz WPVZFYDPYWRMRQ-JTQLQIEISA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001573482436 946195818 /nfs/dbraw/zinc/19/58/18/946195818.db2.gz WPVZFYDPYWRMRQ-JTQLQIEISA-N -1 3 375.408 0.981 20 0 GCADHM O=C(CN1CCOCC1)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571296473 946197627 /nfs/dbraw/zinc/19/76/27/946197627.db2.gz YSRZQSZPSKWJDM-CYBMUJFWSA-N -1 3 390.423 0.136 20 0 GCADHM O=C(CN1CCOCC1)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571296473 946197635 /nfs/dbraw/zinc/19/76/35/946197635.db2.gz YSRZQSZPSKWJDM-CYBMUJFWSA-N -1 3 390.423 0.136 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573482836 946203143 /nfs/dbraw/zinc/20/31/43/946203143.db2.gz AKZLLQUNWJCXDF-SCDSUCTJSA-N -1 3 386.460 0.283 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573482836 946203150 /nfs/dbraw/zinc/20/31/50/946203150.db2.gz AKZLLQUNWJCXDF-SCDSUCTJSA-N -1 3 386.460 0.283 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573483290 946205238 /nfs/dbraw/zinc/20/52/38/946205238.db2.gz DAYXIQVVBVZDOE-GIPNMCIBSA-N -1 3 375.408 0.471 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573483290 946205248 /nfs/dbraw/zinc/20/52/48/946205248.db2.gz DAYXIQVVBVZDOE-GIPNMCIBSA-N -1 3 375.408 0.471 20 0 GCADHM NC(=O)[C@H](C1CC1)N(CC1CC1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001571298100 946205355 /nfs/dbraw/zinc/20/53/55/946205355.db2.gz JMRSTVOYAAYLQX-HNNXBMFYSA-N -1 3 390.469 0.672 20 0 GCADHM NC(=O)[C@H](C1CC1)N(CC1CC1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001571298100 946205366 /nfs/dbraw/zinc/20/53/66/946205366.db2.gz JMRSTVOYAAYLQX-HNNXBMFYSA-N -1 3 390.469 0.672 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573482899 946206143 /nfs/dbraw/zinc/20/61/43/946206143.db2.gz BUJDSVIOWYKTBK-NEPJUHHUSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573482899 946206153 /nfs/dbraw/zinc/20/61/53/946206153.db2.gz BUJDSVIOWYKTBK-NEPJUHHUSA-N -1 3 386.460 0.507 20 0 GCADHM Cc1nsc(N2CCC[C@@H](NC(=O)CN3CCCC3=O)C2)c1-c1nnn[n-]1 ZINC001571298219 946207968 /nfs/dbraw/zinc/20/79/68/946207968.db2.gz KDTHSQVGVMLKLN-LLVKDONJSA-N -1 3 390.473 0.339 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573483705 946210631 /nfs/dbraw/zinc/21/06/31/946210631.db2.gz GYQZLTVMRDODCL-UISBYWKRSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573483705 946210639 /nfs/dbraw/zinc/21/06/39/946210639.db2.gz GYQZLTVMRDODCL-UISBYWKRSA-N -1 3 392.851 0.746 20 0 GCADHM O=C([C@H]1CCOC1)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571298420 946217411 /nfs/dbraw/zinc/21/74/11/946217411.db2.gz NLNBGUONTAUZIK-LBPRGKRZSA-N -1 3 390.469 0.378 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]2O)on1 ZINC001571298722 946226688 /nfs/dbraw/zinc/22/66/88/946226688.db2.gz CHJKAKPEMHCTTO-GHMZBOCLSA-N -1 3 390.791 0.191 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]2O)on1 ZINC001571298722 946226699 /nfs/dbraw/zinc/22/66/99/946226699.db2.gz CHJKAKPEMHCTTO-GHMZBOCLSA-N -1 3 390.791 0.191 20 0 GCADHM C[C@@H](NC(=O)c1cc(Cl)no1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571298768 946227636 /nfs/dbraw/zinc/22/76/36/946227636.db2.gz DFTGGWGROMGDHG-SSDOTTSWSA-N -1 3 390.791 0.727 20 0 GCADHM C[C@@H](NC(=O)c1cc(Cl)no1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571298768 946227649 /nfs/dbraw/zinc/22/76/49/946227649.db2.gz DFTGGWGROMGDHG-SSDOTTSWSA-N -1 3 390.791 0.727 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573485613 946229059 /nfs/dbraw/zinc/22/90/59/946229059.db2.gz WTVNSWPLZYQFPC-LBPRGKRZSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573485613 946229064 /nfs/dbraw/zinc/22/90/64/946229064.db2.gz WTVNSWPLZYQFPC-LBPRGKRZSA-N -1 3 386.460 0.793 20 0 GCADHM O=C(CN1CCCC1=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571298884 946232079 /nfs/dbraw/zinc/23/20/79/946232079.db2.gz FYXUCHSKLISLOV-NSHDSACASA-N -1 3 390.835 0.550 20 0 GCADHM O=C(CN1CCCC1=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571298884 946232087 /nfs/dbraw/zinc/23/20/87/946232087.db2.gz FYXUCHSKLISLOV-NSHDSACASA-N -1 3 390.835 0.550 20 0 GCADHM Cc1nsc(N2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C(C)(C)C2)c1-c1nnn[n-]1 ZINC001571298929 946232449 /nfs/dbraw/zinc/23/24/49/946232449.db2.gz RTINOVWZDKABSL-ZJUUUORDSA-N -1 3 390.473 0.241 20 0 GCADHM CN(C(=O)c1cc(Cl)no1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571298938 946233024 /nfs/dbraw/zinc/23/30/24/946233024.db2.gz GKQJVVMMHZENLQ-MRVPVSSYSA-N -1 3 390.791 0.823 20 0 GCADHM CN(C(=O)c1cc(Cl)no1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571298938 946233036 /nfs/dbraw/zinc/23/30/36/946233036.db2.gz GKQJVVMMHZENLQ-MRVPVSSYSA-N -1 3 390.791 0.823 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H]1C ZINC001573486003 946234972 /nfs/dbraw/zinc/23/49/72/946234972.db2.gz BRHCLRUBCHLIKW-RWEMILLDSA-N -1 3 376.396 0.009 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H]1C ZINC001573486003 946234980 /nfs/dbraw/zinc/23/49/80/946234980.db2.gz BRHCLRUBCHLIKW-RWEMILLDSA-N -1 3 376.396 0.009 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571299330 946245271 /nfs/dbraw/zinc/24/52/71/946245271.db2.gz KYPBFTFTVMADNF-GARJFASQSA-N -1 3 390.835 0.643 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571299330 946245280 /nfs/dbraw/zinc/24/52/80/946245280.db2.gz KYPBFTFTVMADNF-GARJFASQSA-N -1 3 390.835 0.643 20 0 GCADHM Cc1nsc(N2CC[C@H](CNC(=O)[C@H]3CCNC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571299282 946245483 /nfs/dbraw/zinc/24/54/83/946245483.db2.gz VKPGLIZHFOIJLE-MNOVXSKESA-N -1 3 390.473 0.100 20 0 GCADHM O=C([C@H]1COCCO1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571299306 946246474 /nfs/dbraw/zinc/24/64/74/946246474.db2.gz VZCKLMPXGJQGSJ-MBNYWOFBSA-N -1 3 390.469 0.519 20 0 GCADHM O=C([C@H]1COCCO1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[n-]n2)s1 ZINC001571299306 946246482 /nfs/dbraw/zinc/24/64/82/946246482.db2.gz VZCKLMPXGJQGSJ-MBNYWOFBSA-N -1 3 390.469 0.519 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573486933 946246680 /nfs/dbraw/zinc/24/66/80/946246680.db2.gz JGIFBWBBHWWCLH-DWZYQQQCSA-N -1 3 384.444 0.321 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573486933 946246689 /nfs/dbraw/zinc/24/66/89/946246689.db2.gz JGIFBWBBHWWCLH-DWZYQQQCSA-N -1 3 384.444 0.321 20 0 GCADHM O=C(Cc1ccsc1)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001571299570 946253233 /nfs/dbraw/zinc/25/32/33/946253233.db2.gz XJYKZSUNYVHUBL-CHWSQXEVSA-N -1 3 390.494 0.894 20 0 GCADHM O=C(Cc1ccsc1)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O ZINC001571299570 946253243 /nfs/dbraw/zinc/25/32/43/946253243.db2.gz XJYKZSUNYVHUBL-CHWSQXEVSA-N -1 3 390.494 0.894 20 0 GCADHM CN(C)S(=O)(=O)C1(CNC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571299591 946257185 /nfs/dbraw/zinc/25/71/85/946257185.db2.gz YFMRVVLZFKXNLH-UONOGXRCSA-N -1 3 390.469 0.510 20 0 GCADHM CN(C)S(=O)(=O)C1(CNC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571299591 946257194 /nfs/dbraw/zinc/25/71/94/946257194.db2.gz YFMRVVLZFKXNLH-UONOGXRCSA-N -1 3 390.469 0.510 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573487773 946258600 /nfs/dbraw/zinc/25/86/00/946258600.db2.gz SZQMMWWDSCNZPF-DLOVCJGASA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573487773 946258615 /nfs/dbraw/zinc/25/86/15/946258615.db2.gz SZQMMWWDSCNZPF-DLOVCJGASA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573488193 946265885 /nfs/dbraw/zinc/26/58/85/946265885.db2.gz ZYXBOYPEOJFJER-PEXQALLHSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573488193 946265895 /nfs/dbraw/zinc/26/58/95/946265895.db2.gz ZYXBOYPEOJFJER-PEXQALLHSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573488539 946266587 /nfs/dbraw/zinc/26/65/87/946266587.db2.gz BWGOYJNRXISIHZ-UHFFFAOYSA-N -1 3 390.423 0.402 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573488539 946266594 /nfs/dbraw/zinc/26/65/94/946266594.db2.gz BWGOYJNRXISIHZ-UHFFFAOYSA-N -1 3 390.423 0.402 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573488511 946267319 /nfs/dbraw/zinc/26/73/19/946267319.db2.gz ASLCRYJOUCVEHH-CQSZACIVSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573488511 946267328 /nfs/dbraw/zinc/26/73/28/946267328.db2.gz ASLCRYJOUCVEHH-CQSZACIVSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001573488512 946267779 /nfs/dbraw/zinc/26/77/79/946267779.db2.gz ASWAOSOKAHFRPG-UHFFFAOYSA-N -1 3 386.460 0.653 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001573488512 946267793 /nfs/dbraw/zinc/26/77/93/946267793.db2.gz ASWAOSOKAHFRPG-UHFFFAOYSA-N -1 3 386.460 0.653 20 0 GCADHM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC001573488600 946269284 /nfs/dbraw/zinc/26/92/84/946269284.db2.gz FGWXDDQVXZNMDD-CQSZACIVSA-N -1 3 379.384 0.514 20 0 GCADHM O=C([C@@H]1CCNC(=O)C1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571300196 946275243 /nfs/dbraw/zinc/27/52/43/946275243.db2.gz WMVNMLGFRFLCAB-MWLCHTKSSA-N -1 3 390.835 0.454 20 0 GCADHM O=C([C@@H]1CCNC(=O)C1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571300196 946275257 /nfs/dbraw/zinc/27/52/57/946275257.db2.gz WMVNMLGFRFLCAB-MWLCHTKSSA-N -1 3 390.835 0.454 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573488835 946276604 /nfs/dbraw/zinc/27/66/04/946276604.db2.gz NHQMZYMMQMMIQC-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573488835 946276608 /nfs/dbraw/zinc/27/66/08/946276608.db2.gz NHQMZYMMQMMIQC-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571301736 946280633 /nfs/dbraw/zinc/28/06/33/946280633.db2.gz BSLUGDWYSGHZDK-AGKHESDQSA-N -1 3 391.407 0.148 20 0 GCADHM C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571301736 946280639 /nfs/dbraw/zinc/28/06/39/946280639.db2.gz BSLUGDWYSGHZDK-AGKHESDQSA-N -1 3 391.407 0.148 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)c1ccnc2c1CC(=O)N2 ZINC001571301708 946281441 /nfs/dbraw/zinc/28/14/41/946281441.db2.gz ALBZHLKLHJIMND-AOOOYVTPSA-N -1 3 391.395 0.524 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)c1ccnc2c1CC(=O)N2 ZINC001571301708 946281447 /nfs/dbraw/zinc/28/14/47/946281447.db2.gz ALBZHLKLHJIMND-AOOOYVTPSA-N -1 3 391.395 0.524 20 0 GCADHM O=C(N[C@H]1CC12CCN(C(=O)[C@@H]1CC1(F)F)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571301764 946282533 /nfs/dbraw/zinc/28/25/33/946282533.db2.gz CMIRDNLNHQGCQL-JQWIXIFHSA-N -1 3 391.382 0.961 20 0 GCADHM O=C(N[C@H]1CC12CCN(C(=O)[C@@H]1CC1(F)F)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571301764 946282539 /nfs/dbraw/zinc/28/25/39/946282539.db2.gz CMIRDNLNHQGCQL-JQWIXIFHSA-N -1 3 391.382 0.961 20 0 GCADHM CC(=O)NC1(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CC2)CCCC1 ZINC001573488977 946283472 /nfs/dbraw/zinc/28/34/72/946283472.db2.gz SBPZHCHLFLPHFN-UHFFFAOYSA-N -1 3 384.444 0.771 20 0 GCADHM CC(=O)NC1(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CC2)CCCC1 ZINC001573488977 946283476 /nfs/dbraw/zinc/28/34/76/946283476.db2.gz SBPZHCHLFLPHFN-UHFFFAOYSA-N -1 3 384.444 0.771 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001571301813 946283890 /nfs/dbraw/zinc/28/38/90/946283890.db2.gz DVRDBQPPLNKXRG-USZNOCQGSA-N -1 3 391.382 0.911 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001571301813 946283896 /nfs/dbraw/zinc/28/38/96/946283896.db2.gz DVRDBQPPLNKXRG-USZNOCQGSA-N -1 3 391.382 0.911 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573489093 946284123 /nfs/dbraw/zinc/28/41/23/946284123.db2.gz XEJNBQLMOUQFOA-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573489093 946284128 /nfs/dbraw/zinc/28/41/28/946284128.db2.gz XEJNBQLMOUQFOA-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCCC1 ZINC001573489132 946286940 /nfs/dbraw/zinc/28/69/40/946286940.db2.gz YHCRZDIYJPOAQG-CQSZACIVSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCCC1 ZINC001573489132 946286948 /nfs/dbraw/zinc/28/69/48/946286948.db2.gz YHCRZDIYJPOAQG-CQSZACIVSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cnn(C(F)F)c2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571301965 946287055 /nfs/dbraw/zinc/28/70/55/946287055.db2.gz JYHPKIHFPROXRP-JTQLQIEISA-N -1 3 391.342 0.431 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cnn(C(F)F)c2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571301965 946287063 /nfs/dbraw/zinc/28/70/63/946287063.db2.gz JYHPKIHFPROXRP-JTQLQIEISA-N -1 3 391.342 0.431 20 0 GCADHM COC(=O)[C@@H]1[C@H](CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1(F)F ZINC001571301923 946287101 /nfs/dbraw/zinc/28/71/01/946287101.db2.gz HYMOMYYKQKKDED-WPRPVWTQSA-N -1 3 391.331 0.338 20 0 GCADHM COC(=O)[C@@H]1[C@H](CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1(F)F ZINC001571301923 946287110 /nfs/dbraw/zinc/28/71/10/946287110.db2.gz HYMOMYYKQKKDED-WPRPVWTQSA-N -1 3 391.331 0.338 20 0 GCADHM O=C(c1ccnc2c1CC(=O)N2)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571301943 946288355 /nfs/dbraw/zinc/28/83/55/946288355.db2.gz IOTUZQAPVNIOQX-SNVBAGLBSA-N -1 3 391.395 0.478 20 0 GCADHM O=C(c1ccnc2c1CC(=O)N2)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571301943 946288360 /nfs/dbraw/zinc/28/83/60/946288360.db2.gz IOTUZQAPVNIOQX-SNVBAGLBSA-N -1 3 391.395 0.478 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCCC1 ZINC001573489131 946288352 /nfs/dbraw/zinc/28/83/52/946288352.db2.gz YHCRZDIYJPOAQG-AWEZNQCLSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCCC1 ZINC001573489131 946288361 /nfs/dbraw/zinc/28/83/61/946288361.db2.gz YHCRZDIYJPOAQG-AWEZNQCLSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)C[C@H]21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571301964 946288571 /nfs/dbraw/zinc/28/85/71/946288571.db2.gz JWELVAKFHAJCPA-MVVXRAEJSA-N -1 3 391.382 0.817 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571301964 946288575 /nfs/dbraw/zinc/28/85/75/946288575.db2.gz JWELVAKFHAJCPA-MVVXRAEJSA-N -1 3 391.382 0.817 20 0 GCADHM CC(=O)NC1CCC(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573491804 946289051 /nfs/dbraw/zinc/28/90/51/946289051.db2.gz ANKNGLBBOMPCAO-LMWSTFAQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC1CCC(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573491804 946289061 /nfs/dbraw/zinc/28/90/61/946289061.db2.gz ANKNGLBBOMPCAO-LMWSTFAQSA-N -1 3 386.460 0.873 20 0 GCADHM O=C([C@@H]1CCOC1)N1CCCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571301986 946289417 /nfs/dbraw/zinc/28/94/17/946289417.db2.gz KOTNJPKEARIUQM-YPMHNXCESA-N -1 3 391.407 0.467 20 0 GCADHM O=C([C@@H]1CCOC1)N1CCCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571301986 946289424 /nfs/dbraw/zinc/28/94/24/946289424.db2.gz KOTNJPKEARIUQM-YPMHNXCESA-N -1 3 391.407 0.467 20 0 GCADHM C[C@]12CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]1CN(C(=O)[C@@H]1CC1(F)F)C2 ZINC001571301995 946290507 /nfs/dbraw/zinc/29/05/07/946290507.db2.gz KXVPXHMIXQJMGF-XMZIXOGTSA-N -1 3 391.382 0.771 20 0 GCADHM C[C@]12CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]1CN(C(=O)[C@@H]1CC1(F)F)C2 ZINC001571301995 946290516 /nfs/dbraw/zinc/29/05/16/946290516.db2.gz KXVPXHMIXQJMGF-XMZIXOGTSA-N -1 3 391.382 0.771 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)C2(F)CCOCC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571302009 946290979 /nfs/dbraw/zinc/29/09/79/946290979.db2.gz LJKPLRLCDJHDBC-NSHDSACASA-N -1 3 391.407 0.434 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)C2(F)CCOCC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571302009 946290989 /nfs/dbraw/zinc/29/09/89/946290989.db2.gz LJKPLRLCDJHDBC-NSHDSACASA-N -1 3 391.407 0.434 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)C1(F)CCOCC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571302066 946291861 /nfs/dbraw/zinc/29/18/61/946291861.db2.gz NALYGSIPKNUPLY-LBPRGKRZSA-N -1 3 391.407 0.386 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)C1(F)CCOCC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571302066 946291869 /nfs/dbraw/zinc/29/18/69/946291869.db2.gz NALYGSIPKNUPLY-LBPRGKRZSA-N -1 3 391.407 0.386 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)[C@@H]1COCCO1 ZINC001571302134 946292701 /nfs/dbraw/zinc/29/27/01/946292701.db2.gz PHMRXANJSCDBHX-JSGCOSHPSA-N -1 3 391.407 0.291 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)[C@@H]1COCCO1 ZINC001571302134 946292708 /nfs/dbraw/zinc/29/27/08/946292708.db2.gz 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CC(=O)NCC(=O)N1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C(C)(C)C1 ZINC001573500426 946375215 /nfs/dbraw/zinc/37/52/15/946375215.db2.gz JPNLJTBKTLBCHG-LBPRGKRZSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C(C)(C)C1 ZINC001573500426 946375225 /nfs/dbraw/zinc/37/52/25/946375225.db2.gz JPNLJTBKTLBCHG-LBPRGKRZSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N(C)CCOCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001573502407 946383958 /nfs/dbraw/zinc/38/39/58/946383958.db2.gz VEPMRIKEBPMDLJ-UHFFFAOYSA-N -1 3 379.396 0.029 20 0 GCADHM CC(=O)NCC(=O)N(C)CCOCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001573502407 946383967 /nfs/dbraw/zinc/38/39/67/946383967.db2.gz VEPMRIKEBPMDLJ-UHFFFAOYSA-N -1 3 379.396 0.029 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573503627 946394090 /nfs/dbraw/zinc/39/40/90/946394090.db2.gz BGEJEVGAADDGIW-UHFFFAOYSA-N -1 3 375.408 0.792 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573503627 946394106 /nfs/dbraw/zinc/39/41/06/946394106.db2.gz BGEJEVGAADDGIW-UHFFFAOYSA-N -1 3 375.408 0.792 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CN(C)c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573503691 946394994 /nfs/dbraw/zinc/39/49/94/946394994.db2.gz BXFDPBMPOIXKMH-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CN(C)c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573503691 946395006 /nfs/dbraw/zinc/39/50/06/946395006.db2.gz BXFDPBMPOIXKMH-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM Cn1cc(Cl)c(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571306253 946395213 /nfs/dbraw/zinc/39/52/13/946395213.db2.gz RGOQNNNIEOBYEL-SECBINFHSA-N -1 3 391.798 0.796 20 0 GCADHM Cn1cc(Cl)c(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571306253 946395224 /nfs/dbraw/zinc/39/52/24/946395224.db2.gz RGOQNNNIEOBYEL-SECBINFHSA-N -1 3 391.798 0.796 20 0 GCADHM O=C(C[C@@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571306445 946400738 /nfs/dbraw/zinc/40/07/38/946400738.db2.gz KXCVBGIGHHARBI-NEPJUHHUSA-N -1 3 391.457 0.242 20 0 GCADHM O=C(C[C@@H]1CCCS1(=O)=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571306445 946400741 /nfs/dbraw/zinc/40/07/41/946400741.db2.gz KXCVBGIGHHARBI-NEPJUHHUSA-N -1 3 391.457 0.242 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571306484 946402130 /nfs/dbraw/zinc/40/21/30/946402130.db2.gz LTAVSRDSQDBBDZ-NEPJUHHUSA-N -1 3 391.457 0.018 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571306484 946402137 /nfs/dbraw/zinc/40/21/37/946402137.db2.gz LTAVSRDSQDBBDZ-NEPJUHHUSA-N -1 3 391.457 0.018 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573504147 946406909 /nfs/dbraw/zinc/40/69/09/946406909.db2.gz GMKNCQCRGOKIRQ-PWSUYJOCSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573504147 946406916 /nfs/dbraw/zinc/40/69/16/946406916.db2.gz GMKNCQCRGOKIRQ-PWSUYJOCSA-N -1 3 375.408 0.791 20 0 GCADHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823299105 946408239 /nfs/dbraw/zinc/40/82/39/946408239.db2.gz IAHNADWQHSYXRO-UHFFFAOYSA-N -1 3 389.397 0.693 20 0 GCADHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823299105 946408244 /nfs/dbraw/zinc/40/82/44/946408244.db2.gz IAHNADWQHSYXRO-UHFFFAOYSA-N -1 3 389.397 0.693 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CC[C@@H]21 ZINC001573504311 946410651 /nfs/dbraw/zinc/41/06/51/946410651.db2.gz GZNWSNAJTMAFMI-HIFRSBDPSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CC[C@@H]21 ZINC001573504311 946410656 /nfs/dbraw/zinc/41/06/56/946410656.db2.gz GZNWSNAJTMAFMI-HIFRSBDPSA-N -1 3 384.444 0.215 20 0 GCADHM COC(=O)[C@]1(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC001571306844 946411464 /nfs/dbraw/zinc/41/14/64/946411464.db2.gz RIYBEXAOZYXVAX-KRWDZBQOSA-N -1 3 391.453 0.796 20 0 GCADHM COC(=O)[C@]1(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001571306844 946411469 /nfs/dbraw/zinc/41/14/69/946411469.db2.gz RIYBEXAOZYXVAX-KRWDZBQOSA-N -1 3 391.453 0.796 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573504635 946412316 /nfs/dbraw/zinc/41/23/16/946412316.db2.gz IGKIILHYNDDFFH-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573504635 946412320 /nfs/dbraw/zinc/41/23/20/946412320.db2.gz IGKIILHYNDDFFH-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@@H]2C1 ZINC001573504656 946413356 /nfs/dbraw/zinc/41/33/56/946413356.db2.gz IFTVNBSIWRDYHB-RRFJBIMHSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@@H]2C1 ZINC001573504656 946413361 /nfs/dbraw/zinc/41/33/61/946413361.db2.gz IFTVNBSIWRDYHB-RRFJBIMHSA-N -1 3 384.444 0.437 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001571307042 946415832 /nfs/dbraw/zinc/41/58/32/946415832.db2.gz UYQKKZPPBGGPGH-MNOVXSKESA-N -1 3 391.457 0.479 20 0 GCADHM CC(=O)NCC(=O)N1CCC2(C1)CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573505164 946416431 /nfs/dbraw/zinc/41/64/31/946416431.db2.gz KGWWUEAANUMKOF-UHFFFAOYSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC2(C1)CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573505164 946416434 /nfs/dbraw/zinc/41/64/34/946416434.db2.gz KGWWUEAANUMKOF-UHFFFAOYSA-N -1 3 384.444 0.217 20 0 GCADHM O=S(=O)(C[C@H]1CC[C@H](C(F)(F)F)O1)NCc1cncc(-c2nnn[n-]2)c1 ZINC001571307224 946420055 /nfs/dbraw/zinc/42/00/55/946420055.db2.gz ACMOCTHQJVWUNJ-GHMZBOCLSA-N -1 3 392.363 0.791 20 0 GCADHM O=S(=O)(C[C@H]1CC[C@H](C(F)(F)F)O1)NCc1cncc(-c2nn[n-]n2)c1 ZINC001571307224 946420061 /nfs/dbraw/zinc/42/00/61/946420061.db2.gz ACMOCTHQJVWUNJ-GHMZBOCLSA-N -1 3 392.363 0.791 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573505637 946424155 /nfs/dbraw/zinc/42/41/55/946424155.db2.gz MEJUIUIKHZAYEP-AWEZNQCLSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573505637 946424161 /nfs/dbraw/zinc/42/41/61/946424161.db2.gz MEJUIUIKHZAYEP-AWEZNQCLSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573505973 946426794 /nfs/dbraw/zinc/42/67/94/946426794.db2.gz PYIQLJXEQYKBJS-OKILXGFUSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573505973 946426803 /nfs/dbraw/zinc/42/68/03/946426803.db2.gz PYIQLJXEQYKBJS-OKILXGFUSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)NCC(=O)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001573506364 946432618 /nfs/dbraw/zinc/43/26/18/946432618.db2.gz QANGTOGCAFMAHK-UHFFFAOYSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001573506364 946432625 /nfs/dbraw/zinc/43/26/25/946432625.db2.gz QANGTOGCAFMAHK-UHFFFAOYSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573506733 946436739 /nfs/dbraw/zinc/43/67/39/946436739.db2.gz SWMMCRNIBDLYPH-IUODEOHRSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573506733 946436743 /nfs/dbraw/zinc/43/67/43/946436743.db2.gz SWMMCRNIBDLYPH-IUODEOHRSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573506722 946436750 /nfs/dbraw/zinc/43/67/50/946436750.db2.gz SKECMUQQQNHHFD-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573506722 946436754 /nfs/dbraw/zinc/43/67/54/946436754.db2.gz SKECMUQQQNHHFD-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM NC(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)cc1 ZINC001571309489 946446562 /nfs/dbraw/zinc/44/65/62/946446562.db2.gz BLASWAFVWMLSAV-CQSZACIVSA-N -1 3 392.423 0.298 20 0 GCADHM NC(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)cc1 ZINC001571309489 946446565 /nfs/dbraw/zinc/44/65/65/946446565.db2.gz BLASWAFVWMLSAV-CQSZACIVSA-N -1 3 392.423 0.298 20 0 GCADHM CN(C(=O)c1cccc(C(N)=O)c1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571309485 946446675 /nfs/dbraw/zinc/44/66/75/946446675.db2.gz BIGYXMUMODRDKC-OAHLLOKOSA-N -1 3 392.423 0.712 20 0 GCADHM CN(C(=O)c1cccc(C(N)=O)c1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571309485 946446679 /nfs/dbraw/zinc/44/66/79/946446679.db2.gz BIGYXMUMODRDKC-OAHLLOKOSA-N -1 3 392.423 0.712 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CCN2c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573507659 946448323 /nfs/dbraw/zinc/44/83/23/946448323.db2.gz WJLJFIIYXPBAIX-TZMCWYRMSA-N -1 3 387.419 0.569 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573507659 946448327 /nfs/dbraw/zinc/44/83/27/946448327.db2.gz WJLJFIIYXPBAIX-TZMCWYRMSA-N -1 3 387.419 0.569 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573507669 946449544 /nfs/dbraw/zinc/44/95/44/946449544.db2.gz WJRPYXGGHOBATI-LRDDRELGSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573507669 946449549 /nfs/dbraw/zinc/44/95/49/946449549.db2.gz WJRPYXGGHOBATI-LRDDRELGSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573507697 946450227 /nfs/dbraw/zinc/45/02/27/946450227.db2.gz WWSRYGYVIYPINA-ZYHUDNBSSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573507697 946450240 /nfs/dbraw/zinc/45/02/40/946450240.db2.gz WWSRYGYVIYPINA-ZYHUDNBSSA-N -1 3 375.408 0.933 20 0 GCADHM NC(=O)c1ccc(CC(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571309663 946451079 /nfs/dbraw/zinc/45/10/79/946451079.db2.gz HCDDNMPBJPLYFG-SHTZXODSSA-N -1 3 392.423 0.662 20 0 GCADHM NC(=O)c1ccc(CC(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571309663 946451089 /nfs/dbraw/zinc/45/10/89/946451089.db2.gz HCDDNMPBJPLYFG-SHTZXODSSA-N -1 3 392.423 0.662 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001573507747 946451994 /nfs/dbraw/zinc/45/19/94/946451994.db2.gz XUFCUDAWTFCVNC-IUODEOHRSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001573507747 946451998 /nfs/dbraw/zinc/45/19/98/946451998.db2.gz XUFCUDAWTFCVNC-IUODEOHRSA-N -1 3 386.460 0.827 20 0 GCADHM Cc1cc(C2(C(=O)N[C@@H]3[C@H]4CN(c5ncccc5-c5nnn[n-]5)C[C@H]43)CC2)on1 ZINC001571309740 946453578 /nfs/dbraw/zinc/45/35/78/946453578.db2.gz JDRDLAGIPDEERK-NHAGDIPZSA-N -1 3 392.423 0.841 20 0 GCADHM Cc1cc(C2(C(=O)N[C@@H]3[C@H]4CN(c5ncccc5-c5nn[n-]n5)C[C@H]43)CC2)on1 ZINC001571309740 946453586 /nfs/dbraw/zinc/45/35/86/946453586.db2.gz JDRDLAGIPDEERK-NHAGDIPZSA-N -1 3 392.423 0.841 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)[C@@H]2Cc3cccnc3C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571309865 946454756 /nfs/dbraw/zinc/45/47/56/946454756.db2.gz NFCMAVBUXYZPEK-TZMCWYRMSA-N -1 3 392.423 0.336 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)[C@@H]2Cc3cccnc3C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571309865 946454759 /nfs/dbraw/zinc/45/47/59/946454759.db2.gz NFCMAVBUXYZPEK-TZMCWYRMSA-N -1 3 392.423 0.336 20 0 GCADHM O=C(Cc1cccnc1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571309848 946455160 /nfs/dbraw/zinc/45/51/60/946455160.db2.gz MRIQNBZEMJKFGQ-GASCZTMLSA-N -1 3 392.423 0.648 20 0 GCADHM O=C(Cc1cccnc1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571309848 946455168 /nfs/dbraw/zinc/45/51/68/946455168.db2.gz MRIQNBZEMJKFGQ-GASCZTMLSA-N -1 3 392.423 0.648 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573508970 946458110 /nfs/dbraw/zinc/45/81/10/946458110.db2.gz CUXJBZJSNIJGSI-GFCCVEGCSA-N -1 3 392.489 0.951 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573509191 946459355 /nfs/dbraw/zinc/45/93/55/946459355.db2.gz GQTOKELSSRUPEZ-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573509191 946459363 /nfs/dbraw/zinc/45/93/63/946459363.db2.gz GQTOKELSSRUPEZ-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571310015 946460020 /nfs/dbraw/zinc/46/00/20/946460020.db2.gz RYMXDNQYBHOHNX-NSHDSACASA-N -1 3 392.420 0.611 20 0 GCADHM CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571310015 946460025 /nfs/dbraw/zinc/46/00/25/946460025.db2.gz RYMXDNQYBHOHNX-NSHDSACASA-N -1 3 392.420 0.611 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573509195 946460278 /nfs/dbraw/zinc/46/02/78/946460278.db2.gz GTOAHIXUJCPEDP-SKDRFNHKSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573509236 946460372 /nfs/dbraw/zinc/46/03/72/946460372.db2.gz IOMGTOQLNJHAFL-LBPRGKRZSA-N -1 3 392.489 0.951 20 0 GCADHM CCc1c[nH]c(=O)c(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)c1 ZINC001571310058 946461281 /nfs/dbraw/zinc/46/12/81/946461281.db2.gz UAWSCRFKFDKKHE-FICVDOATSA-N -1 3 392.423 0.789 20 0 GCADHM CCc1c[nH]c(=O)c(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)c1 ZINC001571310058 946461293 /nfs/dbraw/zinc/46/12/93/946461293.db2.gz UAWSCRFKFDKKHE-FICVDOATSA-N -1 3 392.423 0.789 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573509359 946461824 /nfs/dbraw/zinc/46/18/24/946461824.db2.gz KSOOXZJGONZXMN-GFCCVEGCSA-N -1 3 375.408 0.935 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573509359 946461830 /nfs/dbraw/zinc/46/18/30/946461830.db2.gz KSOOXZJGONZXMN-GFCCVEGCSA-N -1 3 375.408 0.935 20 0 GCADHM NC(=O)c1ccc(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571310128 946463956 /nfs/dbraw/zinc/46/39/56/946463956.db2.gz VZMCRSTUBSKDKK-HNNXBMFYSA-N -1 3 392.423 0.616 20 0 GCADHM NC(=O)c1ccc(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571310128 946463975 /nfs/dbraw/zinc/46/39/75/946463975.db2.gz VZMCRSTUBSKDKK-HNNXBMFYSA-N -1 3 392.423 0.616 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]21 ZINC001573509771 946467587 /nfs/dbraw/zinc/46/75/87/946467587.db2.gz QSWPOQDPJAHIIW-GXFFZTMASA-N -1 3 390.835 0.088 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]21 ZINC001573509771 946467593 /nfs/dbraw/zinc/46/75/93/946467593.db2.gz QSWPOQDPJAHIIW-GXFFZTMASA-N -1 3 390.835 0.088 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1nc(C)ccc1-c1nnn[n-]1)C1CCCC1 ZINC001573510303 946476773 /nfs/dbraw/zinc/47/67/73/946476773.db2.gz DTXKCTBBCJAUCU-HNNXBMFYSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1nc(C)ccc1-c1nn[n-]n1)C1CCCC1 ZINC001573510303 946476776 /nfs/dbraw/zinc/47/67/76/946476776.db2.gz DTXKCTBBCJAUCU-HNNXBMFYSA-N -1 3 386.460 0.793 20 0 GCADHM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571310782 946478215 /nfs/dbraw/zinc/47/82/15/946478215.db2.gz MWDWHSNTJGERJU-QWHCGFSZSA-N -1 3 392.441 0.145 20 0 GCADHM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571310782 946478219 /nfs/dbraw/zinc/47/82/19/946478219.db2.gz MWDWHSNTJGERJU-QWHCGFSZSA-N -1 3 392.441 0.145 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001573510697 946479630 /nfs/dbraw/zinc/47/96/30/946479630.db2.gz JPVWDHCLXFWTNM-OAHLLOKOSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001573510697 946479633 /nfs/dbraw/zinc/47/96/33/946479633.db2.gz JPVWDHCLXFWTNM-OAHLLOKOSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573511024 946481061 /nfs/dbraw/zinc/48/10/61/946481061.db2.gz LVIFYPKABDURFP-OCCSQVGLSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573511024 946481071 /nfs/dbraw/zinc/48/10/71/946481071.db2.gz LVIFYPKABDURFP-OCCSQVGLSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573511396 946485497 /nfs/dbraw/zinc/48/54/97/946485497.db2.gz PEHWPSAVJOXXAL-CABZTGNLSA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2cccc(F)c2-c2nnn[n-]2)CCCC1 ZINC001573511467 946487206 /nfs/dbraw/zinc/48/72/06/946487206.db2.gz AADUOADBXWOMBX-UHFFFAOYSA-N -1 3 375.408 0.983 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2cccc(F)c2-c2nn[n-]n2)CCCC1 ZINC001573511467 946487213 /nfs/dbraw/zinc/48/72/13/946487213.db2.gz AADUOADBXWOMBX-UHFFFAOYSA-N -1 3 375.408 0.983 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573511822 946491450 /nfs/dbraw/zinc/49/14/50/946491450.db2.gz SNGGKFRXHMHWDY-JTQLQIEISA-N -1 3 375.408 0.078 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001571312432 946492448 /nfs/dbraw/zinc/49/24/48/946492448.db2.gz CTWUBBRTGROPIC-NWDGAFQWSA-N -1 3 392.427 0.787 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001571312432 946492453 /nfs/dbraw/zinc/49/24/53/946492453.db2.gz CTWUBBRTGROPIC-NWDGAFQWSA-N -1 3 392.427 0.787 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC001573512418 946497353 /nfs/dbraw/zinc/49/73/53/946497353.db2.gz FRVFDWGFVCAPQD-ZIAGYGMSSA-N -1 3 387.419 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC001573512418 946497360 /nfs/dbraw/zinc/49/73/60/946497360.db2.gz FRVFDWGFVCAPQD-ZIAGYGMSSA-N -1 3 387.419 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@@H]1N(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC001573512460 946498631 /nfs/dbraw/zinc/49/86/31/946498631.db2.gz GFVLXCUNBGAKEQ-KSSFIOAISA-N -1 3 387.419 0.760 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@@H]1N(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC001573512460 946498638 /nfs/dbraw/zinc/49/86/38/946498638.db2.gz GFVLXCUNBGAKEQ-KSSFIOAISA-N -1 3 387.419 0.760 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C12CCC2 ZINC001573512365 946499037 /nfs/dbraw/zinc/49/90/37/946499037.db2.gz FHJAANGDNUCJRY-QWRGUYRKSA-N -1 3 390.473 0.607 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512795 946506046 /nfs/dbraw/zinc/50/60/46/946506046.db2.gz HWQKOXMQWRNADU-NEPJUHHUSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512795 946506054 /nfs/dbraw/zinc/50/60/54/946506054.db2.gz HWQKOXMQWRNADU-NEPJUHHUSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573513205 946507438 /nfs/dbraw/zinc/50/74/38/946507438.db2.gz LQCYTZGYVWSSFG-LDYMZIIASA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001573513708 946512767 /nfs/dbraw/zinc/51/27/67/946512767.db2.gz PNLZVYBTRIWITD-BZNIZROVSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NCC(=O)NC1CC2(C1)CC(Nc1cccc(F)c1-c1nnn[n-]1)C2 ZINC001573513779 946515515 /nfs/dbraw/zinc/51/55/15/946515515.db2.gz QFVZPAQZDPZPQG-UHFFFAOYSA-N -1 3 387.419 0.981 20 0 GCADHM CC(=O)NCC(=O)NC1CC2(C1)CC(Nc1cccc(F)c1-c1nn[n-]n1)C2 ZINC001573513779 946515526 /nfs/dbraw/zinc/51/55/26/946515526.db2.gz QFVZPAQZDPZPQG-UHFFFAOYSA-N -1 3 387.419 0.981 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(C(=O)[C@@H]2Cc3cccnc3C2)CC1 ZINC001571313306 946517536 /nfs/dbraw/zinc/51/75/36/946517536.db2.gz PQYQPHZRFUIROR-CYBMUJFWSA-N -1 3 392.423 0.289 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(C(=O)[C@@H]2Cc3cccnc3C2)CC1 ZINC001571313306 946517546 /nfs/dbraw/zinc/51/75/46/946517546.db2.gz PQYQPHZRFUIROR-CYBMUJFWSA-N -1 3 392.423 0.289 20 0 GCADHM CC(=O)NCC(=O)N[C@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC[C@H]1C ZINC001573514173 946520721 /nfs/dbraw/zinc/52/07/21/946520721.db2.gz UEEYLQUECOHARB-XIKOKIGWSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@]1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC[C@H]1C ZINC001573514173 946520730 /nfs/dbraw/zinc/52/07/30/946520730.db2.gz UEEYLQUECOHARB-XIKOKIGWSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C12CCC2 ZINC001573514504 946527489 /nfs/dbraw/zinc/52/74/89/946527489.db2.gz YXOVMKJPSYLDAY-ZIAGYGMSSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C12CCC2 ZINC001573514504 946527495 /nfs/dbraw/zinc/52/74/95/946527495.db2.gz YXOVMKJPSYLDAY-ZIAGYGMSSA-N -1 3 384.444 0.546 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)c1c[nH]cc1C1CC1 ZINC001571313608 946527736 /nfs/dbraw/zinc/52/77/36/946527736.db2.gz UNKDPDPKPCPPSW-FOLVSLTJSA-N -1 3 392.423 0.901 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)c1c[nH]cc1C1CC1 ZINC001571313608 946527740 /nfs/dbraw/zinc/52/77/40/946527740.db2.gz UNKDPDPKPCPPSW-FOLVSLTJSA-N -1 3 392.423 0.901 20 0 GCADHM Nc1nccnc1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571313599 946527784 /nfs/dbraw/zinc/52/77/84/946527784.db2.gz TYTZDNQZHWTWMU-UHFFFAOYSA-N -1 3 392.427 0.787 20 0 GCADHM Nc1nccnc1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571313599 946527790 /nfs/dbraw/zinc/52/77/90/946527790.db2.gz TYTZDNQZHWTWMU-UHFFFAOYSA-N -1 3 392.427 0.787 20 0 GCADHM CN(C(=O)[C@@H]1CCn2cncc2C1)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571313781 946533580 /nfs/dbraw/zinc/53/35/80/946533580.db2.gz WBODZDWEEYJZEE-CQSZACIVSA-N -1 3 392.467 0.968 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)[C@H]1C ZINC001573515329 946544181 /nfs/dbraw/zinc/54/41/81/946544181.db2.gz KZVCIPZAFOOLLJ-GXSJLCMTSA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001573515616 946546385 /nfs/dbraw/zinc/54/63/85/946546385.db2.gz NNYRCROBRPYFCM-MFKMUULPSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001573515616 946546390 /nfs/dbraw/zinc/54/63/90/946546390.db2.gz NNYRCROBRPYFCM-MFKMUULPSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573515663 946547954 /nfs/dbraw/zinc/54/79/54/946547954.db2.gz OVQHTWHIXXCFNX-GZMMTYOYSA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573517182 946566565 /nfs/dbraw/zinc/56/65/65/946566565.db2.gz DPQTXTADLGPFEH-GOSISDBHSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573517182 946566571 /nfs/dbraw/zinc/56/65/71/946566571.db2.gz DPQTXTADLGPFEH-GOSISDBHSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC001573517834 946582717 /nfs/dbraw/zinc/58/27/17/946582717.db2.gz SFUWTJZPPRXHOB-HNNXBMFYSA-N -1 3 380.412 0.667 20 0 GCADHM CC(=O)NCC(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC001573517834 946582723 /nfs/dbraw/zinc/58/27/23/946582723.db2.gz SFUWTJZPPRXHOB-HNNXBMFYSA-N -1 3 380.412 0.667 20 0 GCADHM CC(=O)NCC(=O)NCCC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573520879 946601117 /nfs/dbraw/zinc/60/11/17/946601117.db2.gz OMSAYVZIGIYSKH-UHFFFAOYSA-N -1 3 389.435 0.865 20 0 GCADHM CC(=O)NCC(=O)NCCC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573520879 946601122 /nfs/dbraw/zinc/60/11/22/946601122.db2.gz OMSAYVZIGIYSKH-UHFFFAOYSA-N -1 3 389.435 0.865 20 0 GCADHM CC(=O)NCC(=O)NCCC1(CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573520900 946601842 /nfs/dbraw/zinc/60/18/42/946601842.db2.gz PFJMPDBHKIXNSJ-UHFFFAOYSA-N -1 3 378.462 0.466 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@@H]1CCCOC1 ZINC001571317336 946606006 /nfs/dbraw/zinc/60/60/06/946606006.db2.gz DGSFXMZQFCMGQR-OLZOCXBDSA-N -1 3 392.485 0.672 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573521713 946610450 /nfs/dbraw/zinc/61/04/50/946610450.db2.gz CBHATYKZTNUVEG-HAQNSBGRSA-N -1 3 392.489 0.855 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC001571317579 946614445 /nfs/dbraw/zinc/61/44/45/946614445.db2.gz NIVUJZNNZWMTHS-IACUBPJLSA-N -1 3 392.485 0.670 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC001571317579 946614451 /nfs/dbraw/zinc/61/44/51/946614451.db2.gz NIVUJZNNZWMTHS-IACUBPJLSA-N -1 3 392.485 0.670 20 0 GCADHM Cc1nsc(N2CC[C@H](N(C)C(=O)CN3CCOCC3)C2)c1-c1nnn[n-]1 ZINC001571317657 946615517 /nfs/dbraw/zinc/61/55/17/946615517.db2.gz PXTIIVDKSBAKOJ-LBPRGKRZSA-N -1 3 392.489 0.001 20 0 GCADHM Cc1nsc(NC[C@@H]2CCN(C(=O)CN3CCOCC3)C2)c1-c1nnn[n-]1 ZINC001571317661 946616354 /nfs/dbraw/zinc/61/63/54/946616354.db2.gz QBGJAWKUZXOHPB-LBPRGKRZSA-N -1 3 392.489 0.224 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573522201 946623536 /nfs/dbraw/zinc/62/35/36/946623536.db2.gz CBMBZJQTASCLFM-LLVKDONJSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573522201 946623544 /nfs/dbraw/zinc/62/35/44/946623544.db2.gz CBMBZJQTASCLFM-LLVKDONJSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573522238 946625689 /nfs/dbraw/zinc/62/56/89/946625689.db2.gz CNPQHGPSQKFLQM-CQSZACIVSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573522238 946625692 /nfs/dbraw/zinc/62/56/92/946625692.db2.gz CNPQHGPSQKFLQM-CQSZACIVSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573522613 946627421 /nfs/dbraw/zinc/62/74/21/946627421.db2.gz HGYVVOTYVKVUSX-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573522613 946627425 /nfs/dbraw/zinc/62/74/25/946627425.db2.gz HGYVVOTYVKVUSX-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001573522447 946628488 /nfs/dbraw/zinc/62/84/88/946628488.db2.gz FXSRYLHDNPZQSI-STQMWFEESA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001573522447 946628496 /nfs/dbraw/zinc/62/84/96/946628496.db2.gz FXSRYLHDNPZQSI-STQMWFEESA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573522781 946629874 /nfs/dbraw/zinc/62/98/74/946629874.db2.gz KORSOLNMNHTIKY-JTQLQIEISA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573522781 946629879 /nfs/dbraw/zinc/62/98/79/946629879.db2.gz KORSOLNMNHTIKY-JTQLQIEISA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001573522876 946631821 /nfs/dbraw/zinc/63/18/21/946631821.db2.gz LWLHKQPLAQMODI-KBPBESRZSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573522876 946631826 /nfs/dbraw/zinc/63/18/26/946631826.db2.gz LWLHKQPLAQMODI-KBPBESRZSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573522905 946631929 /nfs/dbraw/zinc/63/19/29/946631929.db2.gz MUKNOQZCJNPRLL-UHFFFAOYSA-N -1 3 392.489 0.443 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573523689 946636494 /nfs/dbraw/zinc/63/64/94/946636494.db2.gz VJCQOOMLLCBHAJ-AWEZNQCLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573523689 946636502 /nfs/dbraw/zinc/63/65/02/946636502.db2.gz VJCQOOMLLCBHAJ-AWEZNQCLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573524098 946640942 /nfs/dbraw/zinc/64/09/42/946640942.db2.gz ZKPWNXKRQFLTBP-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573524098 946640948 /nfs/dbraw/zinc/64/09/48/946640948.db2.gz ZKPWNXKRQFLTBP-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573524093 946641955 /nfs/dbraw/zinc/64/19/55/946641955.db2.gz ZGXUAZWHBWVQLW-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573524093 946641961 /nfs/dbraw/zinc/64/19/61/946641961.db2.gz ZGXUAZWHBWVQLW-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(c1snc(C)c1-c1nnn[n-]1)C2 ZINC001573523907 946642040 /nfs/dbraw/zinc/64/20/40/946642040.db2.gz XXLTVVDBHFLUSU-ZBEGNZNMSA-N -1 3 390.473 0.243 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573527559 946642715 /nfs/dbraw/zinc/64/27/15/946642715.db2.gz COMVNWZWIKOPQS-NSHDSACASA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573527580 946646390 /nfs/dbraw/zinc/64/63/90/946646390.db2.gz DIFLRSWGKUQZGT-BXUZGUMPSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573527580 946646397 /nfs/dbraw/zinc/64/63/97/946646397.db2.gz DIFLRSWGKUQZGT-BXUZGUMPSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573527978 946653232 /nfs/dbraw/zinc/65/32/32/946653232.db2.gz NYOQOLUAVZUZPD-XBXGTLAGSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573527978 946653235 /nfs/dbraw/zinc/65/32/35/946653235.db2.gz NYOQOLUAVZUZPD-XBXGTLAGSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573528229 946659948 /nfs/dbraw/zinc/65/99/48/946659948.db2.gz ZGUOGLCMZQJAAM-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573528229 946659961 /nfs/dbraw/zinc/65/99/61/946659961.db2.gz ZGUOGLCMZQJAAM-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@@H]1C(F)(F)F ZINC001573529085 946671406 /nfs/dbraw/zinc/67/14/06/946671406.db2.gz JKRRGNVLMVDCNA-QWRGUYRKSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@@H]1C(F)(F)F ZINC001573529085 946671412 /nfs/dbraw/zinc/67/14/12/946671412.db2.gz JKRRGNVLMVDCNA-QWRGUYRKSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1C(F)(F)F ZINC001573529467 946675824 /nfs/dbraw/zinc/67/58/24/946675824.db2.gz MMAZYVHKYTXONN-NXEZZACHSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C(F)(F)F ZINC001573529467 946675830 /nfs/dbraw/zinc/67/58/30/946675830.db2.gz MMAZYVHKYTXONN-NXEZZACHSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C(C)C)C(C)C ZINC001573535284 946719210 /nfs/dbraw/zinc/71/92/10/946719210.db2.gz AWDZHLOHJZZCIE-HZPDHXFCSA-N -1 3 388.476 0.975 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C(C)C)C(C)C ZINC001573535284 946719217 /nfs/dbraw/zinc/71/92/17/946719217.db2.gz AWDZHLOHJZZCIE-HZPDHXFCSA-N -1 3 388.476 0.975 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(c1ncccc1-c1nnn[n-]1)C1CC1)C(C)C ZINC001573535395 946722890 /nfs/dbraw/zinc/72/28/90/946722890.db2.gz DZOGFVZJTJMGHA-OAHLLOKOSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(c1ncccc1-c1nn[n-]n1)C1CC1)C(C)C ZINC001573535395 946722895 /nfs/dbraw/zinc/72/28/95/946722895.db2.gz DZOGFVZJTJMGHA-OAHLLOKOSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573535711 946724048 /nfs/dbraw/zinc/72/40/48/946724048.db2.gz HAYKEBRLMKEGLG-IINYFYTJSA-N -1 3 392.439 0.502 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573535711 946724058 /nfs/dbraw/zinc/72/40/58/946724058.db2.gz HAYKEBRLMKEGLG-IINYFYTJSA-N -1 3 392.439 0.502 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573535978 946728361 /nfs/dbraw/zinc/72/83/61/946728361.db2.gz MKQVEPIQUBDBDX-IVMMDQJWSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573535978 946728366 /nfs/dbraw/zinc/72/83/66/946728366.db2.gz MKQVEPIQUBDBDX-IVMMDQJWSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536199 946732663 /nfs/dbraw/zinc/73/26/63/946732663.db2.gz RYGHCTKTBRSDTR-PNBKFKSVSA-N -1 3 398.471 0.648 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536199 946732667 /nfs/dbraw/zinc/73/26/67/946732667.db2.gz RYGHCTKTBRSDTR-PNBKFKSVSA-N -1 3 398.471 0.648 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)C ZINC001573536339 946732985 /nfs/dbraw/zinc/73/29/85/946732985.db2.gz SYVYSOGQYMBQPV-IUODEOHRSA-N -1 3 391.501 0.779 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1)C(C)C ZINC001573536395 946734477 /nfs/dbraw/zinc/73/44/77/946734477.db2.gz VXKDURVQQUANAR-UKRRQHHQSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1)C(C)C ZINC001573536395 946734478 /nfs/dbraw/zinc/73/44/78/946734478.db2.gz VXKDURVQQUANAR-UKRRQHHQSA-N -1 3 386.460 0.426 20 0 GCADHM C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824490444 946739027 /nfs/dbraw/zinc/73/90/27/946739027.db2.gz PNFVLGUXKKZKIY-NWDGAFQWSA-N -1 3 393.473 0.603 20 0 GCADHM C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824490444 946739036 /nfs/dbraw/zinc/73/90/36/946739036.db2.gz PNFVLGUXKKZKIY-NWDGAFQWSA-N -1 3 393.473 0.603 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536839 946742547 /nfs/dbraw/zinc/74/25/47/946742547.db2.gz FNDFNRMWFLUFFK-IINYFYTJSA-N -1 3 392.439 0.820 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536839 946742553 /nfs/dbraw/zinc/74/25/53/946742553.db2.gz FNDFNRMWFLUFFK-IINYFYTJSA-N -1 3 392.439 0.820 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)c1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573536805 946742732 /nfs/dbraw/zinc/74/27/32/946742732.db2.gz FGGXDBSFEVUCPJ-IUODEOHRSA-N -1 3 388.476 0.672 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)c1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573536805 946742735 /nfs/dbraw/zinc/74/27/35/946742735.db2.gz FGGXDBSFEVUCPJ-IUODEOHRSA-N -1 3 388.476 0.672 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C1CN(Cc2ccccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537122 946744834 /nfs/dbraw/zinc/74/48/34/946744834.db2.gz IDHAMRCOHXHPFQ-QGZVFWFLSA-N -1 3 385.472 0.670 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C1CN(Cc2ccccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537122 946744839 /nfs/dbraw/zinc/74/48/39/946744839.db2.gz IDHAMRCOHXHPFQ-QGZVFWFLSA-N -1 3 385.472 0.670 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573537474 946750021 /nfs/dbraw/zinc/75/00/21/946750021.db2.gz CJGLIWMRYUHEPI-AWEZNQCLSA-N -1 3 391.501 0.779 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573538441 946767264 /nfs/dbraw/zinc/76/72/64/946767264.db2.gz SZYXZMMXDRNHOC-LRDDRELGSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573538441 946767269 /nfs/dbraw/zinc/76/72/69/946767269.db2.gz SZYXZMMXDRNHOC-LRDDRELGSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@@H](NC(N)=O)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824537980 946775612 /nfs/dbraw/zinc/77/56/12/946775612.db2.gz GNUZOKUTYVHBDZ-SSDOTTSWSA-N -1 3 375.780 0.701 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)c(C)n1)C(C)(C)C ZINC001573540381 946776615 /nfs/dbraw/zinc/77/66/15/946776615.db2.gz BXFKRNVCHJMZFW-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)c(C)n1)C(C)(C)C ZINC001573540381 946776623 /nfs/dbraw/zinc/77/66/23/946776623.db2.gz BXFKRNVCHJMZFW-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573540463 946778993 /nfs/dbraw/zinc/77/89/93/946778993.db2.gz FGUUWPJTZLAEOL-OAHLLOKOSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573540463 946779003 /nfs/dbraw/zinc/77/90/03/946779003.db2.gz FGUUWPJTZLAEOL-OAHLLOKOSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1)C(C)(C)C ZINC001573540918 946781209 /nfs/dbraw/zinc/78/12/09/946781209.db2.gz KPBMDIILXUOYMF-CQSZACIVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1)C(C)(C)C ZINC001573540918 946781219 /nfs/dbraw/zinc/78/12/19/946781219.db2.gz KPBMDIILXUOYMF-CQSZACIVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573541322 946785309 /nfs/dbraw/zinc/78/53/09/946785309.db2.gz QAMYYRZKUCBZDP-XJKSGUPXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573541322 946785317 /nfs/dbraw/zinc/78/53/17/946785317.db2.gz QAMYYRZKUCBZDP-XJKSGUPXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573541367 946786288 /nfs/dbraw/zinc/78/62/88/946786288.db2.gz QNNLEBJBPBVDOK-SWLSCSKDSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573541367 946786295 /nfs/dbraw/zinc/78/62/95/946786295.db2.gz QNNLEBJBPBVDOK-SWLSCSKDSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C(C)(C)C ZINC001573541332 946786497 /nfs/dbraw/zinc/78/64/97/946786497.db2.gz QGRICOZIWJIHQE-CQSZACIVSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC001573541332 946786502 /nfs/dbraw/zinc/78/65/02/946786502.db2.gz QGRICOZIWJIHQE-CQSZACIVSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573541581 946788062 /nfs/dbraw/zinc/78/80/62/946788062.db2.gz RXUOHIXAIUJIHM-LSDHHAIUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573541581 946788070 /nfs/dbraw/zinc/78/80/70/946788070.db2.gz RXUOHIXAIUJIHM-LSDHHAIUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541919 946789570 /nfs/dbraw/zinc/78/95/70/946789570.db2.gz YHKOVYLAZVQQGG-IAQYHMDHSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541919 946789574 /nfs/dbraw/zinc/78/95/74/946789574.db2.gz YHKOVYLAZVQQGG-IAQYHMDHSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC[C@H](C)Nc2ncccc2-c2nnn[n-]2)ccn1 ZINC001573542177 946793117 /nfs/dbraw/zinc/79/31/17/946793117.db2.gz AMHGHLDJGCQEKT-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC[C@H](C)Nc2ncccc2-c2nn[n-]n2)ccn1 ZINC001573542177 946793127 /nfs/dbraw/zinc/79/31/27/946793127.db2.gz AMHGHLDJGCQEKT-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1c[nH]c(C)c1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573542247 946794164 /nfs/dbraw/zinc/79/41/64/946794164.db2.gz DACVYMSKECITNJ-UHFFFAOYSA-N -1 3 383.416 0.723 20 0 GCADHM CC(=O)Nc1c[nH]c(C)c1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573542247 946794169 /nfs/dbraw/zinc/79/41/69/946794169.db2.gz DACVYMSKECITNJ-UHFFFAOYSA-N -1 3 383.416 0.723 20 0 GCADHM CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)n2C)C1 ZINC001573542742 946801075 /nfs/dbraw/zinc/80/10/75/946801075.db2.gz OGEKASQWMAAUSZ-NSHDSACASA-N -1 3 383.416 0.907 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001573542685 946801357 /nfs/dbraw/zinc/80/13/57/946801357.db2.gz KYIJYSSKOBKNHD-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001573542685 946801370 /nfs/dbraw/zinc/80/13/70/946801370.db2.gz KYIJYSSKOBKNHD-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccc(-c4nnn[n-]4)cc32)nc1 ZINC001573547743 946838981 /nfs/dbraw/zinc/83/89/81/946838981.db2.gz SCSLVCRGRIDGSJ-UHFFFAOYSA-N -1 3 378.352 0.819 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccc(-c4nn[n-]n4)cc32)nc1 ZINC001573547743 946838992 /nfs/dbraw/zinc/83/89/92/946838992.db2.gz SCSLVCRGRIDGSJ-UHFFFAOYSA-N -1 3 378.352 0.819 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@@H](C)CNc2ncccc2-c2nnn[n-]2)cs1 ZINC001573548014 946843946 /nfs/dbraw/zinc/84/39/46/946843946.db2.gz AZSSLYHORVIUEG-QMMMGPOBSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@@H](C)CNc2ncccc2-c2nn[n-]n2)cs1 ZINC001573548014 946843957 /nfs/dbraw/zinc/84/39/57/946843957.db2.gz AZSSLYHORVIUEG-QMMMGPOBSA-N -1 3 387.429 0.907 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCCCCO ZINC000824632774 946875153 /nfs/dbraw/zinc/87/51/53/946875153.db2.gz DPOOVOFVRKBCOL-GFCCVEGCSA-N -1 3 397.457 0.629 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCCCCO ZINC000824632774 946875168 /nfs/dbraw/zinc/87/51/68/946875168.db2.gz DPOOVOFVRKBCOL-GFCCVEGCSA-N -1 3 397.457 0.629 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 ZINC001573552587 946878745 /nfs/dbraw/zinc/87/87/45/946878745.db2.gz RTFFPHXDRUDVJO-HNNXBMFYSA-N -1 3 380.368 0.935 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H]1CC(c2cnn(C)c2)=NO1 ZINC001573552587 946878763 /nfs/dbraw/zinc/87/87/63/946878763.db2.gz RTFFPHXDRUDVJO-HNNXBMFYSA-N -1 3 380.368 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cnns1 ZINC000824640093 946881289 /nfs/dbraw/zinc/88/12/89/946881289.db2.gz AFDKORCSQYSIPB-QMMMGPOBSA-N -1 3 395.426 0.128 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cnns1 ZINC000824640093 946881303 /nfs/dbraw/zinc/88/13/03/946881303.db2.gz AFDKORCSQYSIPB-QMMMGPOBSA-N -1 3 395.426 0.128 20 0 GCADHM CC(C)[C@H]1CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640393 946881626 /nfs/dbraw/zinc/88/16/26/946881626.db2.gz HPJDHECEMNIBND-SMDDNHRTSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)[C@H]1CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640393 946881644 /nfs/dbraw/zinc/88/16/44/946881644.db2.gz HPJDHECEMNIBND-SMDDNHRTSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cnns1 ZINC000824640687 946883270 /nfs/dbraw/zinc/88/32/70/946883270.db2.gz NMPSYBXSPMXAMI-QMMMGPOBSA-N -1 3 395.426 0.128 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cnns1 ZINC000824640687 946883277 /nfs/dbraw/zinc/88/32/77/946883277.db2.gz NMPSYBXSPMXAMI-QMMMGPOBSA-N -1 3 395.426 0.128 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cnns1 ZINC000824640686 946883537 /nfs/dbraw/zinc/88/35/37/946883537.db2.gz NMPSYBXSPMXAMI-MRVPVSSYSA-N -1 3 395.426 0.128 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cnns1 ZINC000824640686 946883546 /nfs/dbraw/zinc/88/35/46/946883546.db2.gz NMPSYBXSPMXAMI-MRVPVSSYSA-N -1 3 395.426 0.128 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001573553144 946884238 /nfs/dbraw/zinc/88/42/38/946884238.db2.gz VVCXYTXOIXRJAO-ZUMXRPEOSA-N -1 3 383.364 0.728 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC001573553144 946884251 /nfs/dbraw/zinc/88/42/51/946884251.db2.gz VVCXYTXOIXRJAO-ZUMXRPEOSA-N -1 3 383.364 0.728 20 0 GCADHM C[C@H](C[C@H](C)O)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824689237 946897436 /nfs/dbraw/zinc/89/74/36/946897436.db2.gz JZAWSUCONVCOPX-TYNCELHUSA-N -1 3 387.444 0.821 20 0 GCADHM C[C@H](C[C@H](C)O)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824689237 946897448 /nfs/dbraw/zinc/89/74/48/946897448.db2.gz JZAWSUCONVCOPX-TYNCELHUSA-N -1 3 387.444 0.821 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824731118 946916331 /nfs/dbraw/zinc/91/63/31/946916331.db2.gz SBXGVWYZCTTYOY-RYUDHWBXSA-N -1 3 394.457 0.126 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)O1 ZINC000824811789 946940144 /nfs/dbraw/zinc/94/01/44/946940144.db2.gz BZTSIDBIWUCKKV-ZDUSSCGKSA-N -1 3 388.432 0.245 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)O1 ZINC000824811789 946940157 /nfs/dbraw/zinc/94/01/57/946940157.db2.gz BZTSIDBIWUCKKV-ZDUSSCGKSA-N -1 3 388.432 0.245 20 0 GCADHM C[C@@H]1CCCCN1S(=O)(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000824937932 947002100 /nfs/dbraw/zinc/00/21/00/947002100.db2.gz SANOYUYFDACPDM-CYBMUJFWSA-N -1 3 392.489 0.503 20 0 GCADHM C[C@@H]1CCCCN1S(=O)(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000824937932 947002108 /nfs/dbraw/zinc/00/21/08/947002108.db2.gz SANOYUYFDACPDM-CYBMUJFWSA-N -1 3 392.489 0.503 20 0 GCADHM C[C@H]1CCCCN1S(=O)(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000824937933 947002410 /nfs/dbraw/zinc/00/24/10/947002410.db2.gz SANOYUYFDACPDM-ZDUSSCGKSA-N -1 3 392.489 0.503 20 0 GCADHM C[C@H]1CCCCN1S(=O)(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000824937933 947002423 /nfs/dbraw/zinc/00/24/23/947002423.db2.gz SANOYUYFDACPDM-ZDUSSCGKSA-N -1 3 392.489 0.503 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000824991866 947029722 /nfs/dbraw/zinc/02/97/22/947029722.db2.gz HRSROKFFWGYJSI-QWRGUYRKSA-N -1 3 376.446 0.596 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000824991866 947029730 /nfs/dbraw/zinc/02/97/30/947029730.db2.gz HRSROKFFWGYJSI-QWRGUYRKSA-N -1 3 376.446 0.596 20 0 GCADHM C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001573299608 947095855 /nfs/dbraw/zinc/09/58/55/947095855.db2.gz GDRJPLPZLXLPOP-UHFFFAOYSA-N -1 3 392.379 0.659 20 0 GCADHM C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001573299608 947095870 /nfs/dbraw/zinc/09/58/70/947095870.db2.gz GDRJPLPZLXLPOP-UHFFFAOYSA-N -1 3 392.379 0.659 20 0 GCADHM CCCN(C(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000825302042 947147756 /nfs/dbraw/zinc/14/77/56/947147756.db2.gz UHZFKILHPABOCY-AWEZNQCLSA-N -1 3 378.458 0.975 20 0 GCADHM CCCN(C(=O)NCc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000825302042 947147764 /nfs/dbraw/zinc/14/77/64/947147764.db2.gz UHZFKILHPABOCY-AWEZNQCLSA-N -1 3 378.458 0.975 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)NCc2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000825565536 947225590 /nfs/dbraw/zinc/22/55/90/947225590.db2.gz VEGPUGMVANQDIN-UHFFFAOYSA-N -1 3 399.367 0.285 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)NCc2ccccc2COC)c1-c1nnn[n-]1 ZINC000825565232 947225750 /nfs/dbraw/zinc/22/57/50/947225750.db2.gz OKVAZVHGOJVXAA-UHFFFAOYSA-N -1 3 399.411 0.703 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573585015 947243794 /nfs/dbraw/zinc/24/37/94/947243794.db2.gz BWOFHDCMEQILGE-CYBMUJFWSA-N -1 3 388.476 0.598 20 0 GCADHM CCOCCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825600074 947250708 /nfs/dbraw/zinc/25/07/08/947250708.db2.gz YLXORBIZWBFVLX-UHFFFAOYSA-N -1 3 398.427 0.760 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)n1cncn1 ZINC001573586329 947285889 /nfs/dbraw/zinc/28/58/89/947285889.db2.gz OFQAEXOZFCXBDY-SMDDNHRTSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)n1cncn1 ZINC001573586329 947285902 /nfs/dbraw/zinc/28/59/02/947285902.db2.gz OFQAEXOZFCXBDY-SMDDNHRTSA-N -1 3 382.432 0.763 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573586400 947287846 /nfs/dbraw/zinc/28/78/46/947287846.db2.gz PPGCRSNQNOYRQQ-GXTWGEPZSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573586400 947287856 /nfs/dbraw/zinc/28/78/56/947287856.db2.gz PPGCRSNQNOYRQQ-GXTWGEPZSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccnn1C ZINC001573586525 947288020 /nfs/dbraw/zinc/28/80/20/947288020.db2.gz PZICMNIXUYUCNE-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccnn1C ZINC001573586525 947288026 /nfs/dbraw/zinc/28/80/26/947288026.db2.gz PZICMNIXUYUCNE-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM CC(C)N(C(=O)[C@@H](C)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573586810 947294244 /nfs/dbraw/zinc/29/42/44/947294244.db2.gz UEFAHYFFBSAKNL-CYBMUJFWSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573586958 947296873 /nfs/dbraw/zinc/29/68/73/947296873.db2.gz UYHSYXYEYOHQHD-GXTWGEPZSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573591403 947311287 /nfs/dbraw/zinc/31/12/87/947311287.db2.gz BIAOAZXXLPYNNW-SWLSCSKDSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573591403 947311298 /nfs/dbraw/zinc/31/12/98/947311298.db2.gz BIAOAZXXLPYNNW-SWLSCSKDSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)C(C)(F)F ZINC001573591504 947312636 /nfs/dbraw/zinc/31/26/36/947312636.db2.gz BYUNOVFEMFPRGX-CMPLNLGQSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)(F)F ZINC001573591504 947312650 /nfs/dbraw/zinc/31/26/50/947312650.db2.gz BYUNOVFEMFPRGX-CMPLNLGQSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573591742 947320757 /nfs/dbraw/zinc/32/07/57/947320757.db2.gz FBHZOQMHUSETSP-KOLCDFICSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573591742 947320768 /nfs/dbraw/zinc/32/07/68/947320768.db2.gz FBHZOQMHUSETSP-KOLCDFICSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)n1cncn1 ZINC001573591850 947322373 /nfs/dbraw/zinc/32/23/73/947322373.db2.gz GSTAFVXREZQITK-LLVKDONJSA-N -1 3 385.407 0.501 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)n1cncn1 ZINC001573591850 947322385 /nfs/dbraw/zinc/32/23/85/947322385.db2.gz GSTAFVXREZQITK-LLVKDONJSA-N -1 3 385.407 0.501 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573592318 947331905 /nfs/dbraw/zinc/33/19/05/947331905.db2.gz JDNNEPXFIKNSOU-BLLLJJGKSA-N -1 3 383.456 0.424 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573592318 947331921 /nfs/dbraw/zinc/33/19/21/947331921.db2.gz JDNNEPXFIKNSOU-BLLLJJGKSA-N -1 3 383.456 0.424 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC001573592292 947332717 /nfs/dbraw/zinc/33/27/17/947332717.db2.gz IUIOEPBTBONYPU-GXTWGEPZSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC001573592292 947332726 /nfs/dbraw/zinc/33/27/26/947332726.db2.gz IUIOEPBTBONYPU-GXTWGEPZSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC001573592293 947332806 /nfs/dbraw/zinc/33/28/06/947332806.db2.gz IUIOEPBTBONYPU-JSGCOSHPSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC001573592293 947332821 /nfs/dbraw/zinc/33/28/21/947332821.db2.gz IUIOEPBTBONYPU-JSGCOSHPSA-N -1 3 385.428 0.914 20 0 GCADHM CCn1nc2c(cc1=O)CN(C(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000825806791 947337302 /nfs/dbraw/zinc/33/73/02/947337302.db2.gz DZZSIIVNMUYJQB-INIZCTEOSA-N -1 3 381.396 0.062 20 0 GCADHM CCn1nc2c(cc1=O)CN(C(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825806791 947337309 /nfs/dbraw/zinc/33/73/09/947337309.db2.gz DZZSIIVNMUYJQB-INIZCTEOSA-N -1 3 381.396 0.062 20 0 GCADHM CN(CC(C)(C)CN1CCOCC1)C(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825897942 947363100 /nfs/dbraw/zinc/36/31/00/947363100.db2.gz RTLXDBYEOBDSND-UHFFFAOYSA-N -1 3 377.453 0.422 20 0 GCADHM CN(CC(C)(C)CN1CCOCC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000825897942 947363114 /nfs/dbraw/zinc/36/31/14/947363114.db2.gz RTLXDBYEOBDSND-UHFFFAOYSA-N -1 3 377.453 0.422 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573593076 947363076 /nfs/dbraw/zinc/36/30/76/947363076.db2.gz PYINKCSJEVNBKD-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573593076 947363089 /nfs/dbraw/zinc/36/30/89/947363089.db2.gz PYINKCSJEVNBKD-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573593400 947370333 /nfs/dbraw/zinc/37/03/33/947370333.db2.gz SSYGQAHAIHBCSJ-BXUZGUMPSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573593400 947370344 /nfs/dbraw/zinc/37/03/44/947370344.db2.gz SSYGQAHAIHBCSJ-BXUZGUMPSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573594084 947386814 /nfs/dbraw/zinc/38/68/14/947386814.db2.gz XFSBTDSHJTYSPS-UKRRQHHQSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573594084 947386823 /nfs/dbraw/zinc/38/68/23/947386823.db2.gz XFSBTDSHJTYSPS-UKRRQHHQSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573594218 947389009 /nfs/dbraw/zinc/38/90/09/947389009.db2.gz OYVUWPDMXHPCKN-WFASDCNBSA-N -1 3 392.485 0.333 20 0 GCADHM CN1C(=O)CN(NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1=O ZINC000826010295 947402746 /nfs/dbraw/zinc/40/27/46/947402746.db2.gz HNAKTNSBTLWTCR-UHFFFAOYSA-N -1 3 394.351 0.593 20 0 GCADHM CN1C(=O)CN(NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1=O ZINC000826010295 947402754 /nfs/dbraw/zinc/40/27/54/947402754.db2.gz HNAKTNSBTLWTCR-UHFFFAOYSA-N -1 3 394.351 0.593 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573594705 947404317 /nfs/dbraw/zinc/40/43/17/947404317.db2.gz CNAZGJVUNZAEGT-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573594705 947404321 /nfs/dbraw/zinc/40/43/21/947404321.db2.gz CNAZGJVUNZAEGT-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM CN1CN(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CC1=O ZINC000826045214 947418111 /nfs/dbraw/zinc/41/81/11/947418111.db2.gz RTCGIJPSSJKNCG-UHFFFAOYSA-N -1 3 375.458 0.867 20 0 GCADHM CN1CN(CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CC1=O ZINC000826045214 947418125 /nfs/dbraw/zinc/41/81/25/947418125.db2.gz RTCGIJPSSJKNCG-UHFFFAOYSA-N -1 3 375.458 0.867 20 0 GCADHM CN1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)C1 ZINC000826044914 947418597 /nfs/dbraw/zinc/41/85/97/947418597.db2.gz MQHXSZBQCGQZFS-CYBMUJFWSA-N -1 3 388.819 0.975 20 0 GCADHM CN1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)C1 ZINC000826044914 947418611 /nfs/dbraw/zinc/41/86/11/947418611.db2.gz MQHXSZBQCGQZFS-CYBMUJFWSA-N -1 3 388.819 0.975 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573595330 947419536 /nfs/dbraw/zinc/41/95/36/947419536.db2.gz XTLBMFYMLMTKDW-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573595330 947419544 /nfs/dbraw/zinc/41/95/44/947419544.db2.gz XTLBMFYMLMTKDW-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573596113 947427031 /nfs/dbraw/zinc/42/70/31/947427031.db2.gz INAUGKISULUNHJ-VXNVDRBHSA-N -1 3 391.329 0.830 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573596113 947427037 /nfs/dbraw/zinc/42/70/37/947427037.db2.gz INAUGKISULUNHJ-VXNVDRBHSA-N -1 3 391.329 0.830 20 0 GCADHM CNc1cc(N2CCC[C@H]2CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)ncn1 ZINC000826091223 947427918 /nfs/dbraw/zinc/42/79/18/947427918.db2.gz ZLXFGSKGJLNCDF-NSHDSACASA-N -1 3 398.431 0.323 20 0 GCADHM CNc1cc(N2CCC[C@H]2CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)ncn1 ZINC000826091223 947427924 /nfs/dbraw/zinc/42/79/24/947427924.db2.gz ZLXFGSKGJLNCDF-NSHDSACASA-N -1 3 398.431 0.323 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573596825 947431576 /nfs/dbraw/zinc/43/15/76/947431576.db2.gz LKDFORBXHQYGLK-IUODEOHRSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ncccc1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573597306 947434201 /nfs/dbraw/zinc/43/42/01/947434201.db2.gz NCZWIZOWGXJJDD-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ncccc1-c1nn[n-]n1)[C@H]1CCC(=O)N1 ZINC001573597306 947434208 /nfs/dbraw/zinc/43/42/08/947434208.db2.gz NCZWIZOWGXJJDD-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(F)F ZINC001573597348 947436092 /nfs/dbraw/zinc/43/60/92/947436092.db2.gz NWTPUIIOOWQTRA-BDAKNGLRSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(F)F ZINC001573597348 947436096 /nfs/dbraw/zinc/43/60/96/947436096.db2.gz NWTPUIIOOWQTRA-BDAKNGLRSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573597905 947440120 /nfs/dbraw/zinc/44/01/20/947440120.db2.gz PIMXQTYLUPXXGQ-DGCLKSJQSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573597905 947440129 /nfs/dbraw/zinc/44/01/29/947440129.db2.gz PIMXQTYLUPXXGQ-DGCLKSJQSA-N -1 3 389.460 0.570 20 0 GCADHM COC(=O)C1(O)CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000826129278 947444051 /nfs/dbraw/zinc/44/40/51/947444051.db2.gz OCOGNPSRICXFPF-UHFFFAOYSA-N -1 3 378.389 0.015 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573599239 947453233 /nfs/dbraw/zinc/45/32/33/947453233.db2.gz WOMXEWWZRXVPSL-NEPJUHHUSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573599239 947453239 /nfs/dbraw/zinc/45/32/39/947453239.db2.gz WOMXEWWZRXVPSL-NEPJUHHUSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001573602566 947468138 /nfs/dbraw/zinc/46/81/38/947468138.db2.gz FLGQRSWXSYPSDS-CYBMUJFWSA-N -1 3 385.476 0.283 20 0 GCADHM COC[C@](C)(O)C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826148522 947477895 /nfs/dbraw/zinc/47/78/95/947477895.db2.gz KOXXAAYFJLMCRC-DYVFJYSZSA-N -1 3 375.385 0.303 20 0 GCADHM COC[C@](C)(O)C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826148522 947477901 /nfs/dbraw/zinc/47/79/01/947477901.db2.gz KOXXAAYFJLMCRC-DYVFJYSZSA-N -1 3 375.385 0.303 20 0 GCADHM COC[C@H](O)C(=O)OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826151512 947479732 /nfs/dbraw/zinc/47/97/32/947479732.db2.gz CKRRDDCWVGMBBS-JTQLQIEISA-N -1 3 395.441 0.686 20 0 GCADHM COC[C@H](O)C(=O)OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826151512 947479742 /nfs/dbraw/zinc/47/97/42/947479742.db2.gz CKRRDDCWVGMBBS-JTQLQIEISA-N -1 3 395.441 0.686 20 0 GCADHM COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826151763 947481172 /nfs/dbraw/zinc/48/11/72/947481172.db2.gz JCVSYHAXIQDMIB-LBPRGKRZSA-N -1 3 392.416 0.106 20 0 GCADHM COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826151763 947481180 /nfs/dbraw/zinc/48/11/80/947481180.db2.gz JCVSYHAXIQDMIB-LBPRGKRZSA-N -1 3 392.416 0.106 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573603451 947486913 /nfs/dbraw/zinc/48/69/13/947486913.db2.gz HDBZKEVKHZJXGO-CYBMUJFWSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573603451 947486922 /nfs/dbraw/zinc/48/69/22/947486922.db2.gz HDBZKEVKHZJXGO-CYBMUJFWSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)[C@H]1CCCO1 ZINC001573603412 947487295 /nfs/dbraw/zinc/48/72/95/947487295.db2.gz GIQJLNVIIVDTCR-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)[C@H]1CCCO1 ZINC001573603412 947487306 /nfs/dbraw/zinc/48/73/06/947487306.db2.gz GIQJLNVIIVDTCR-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573603598 947491976 /nfs/dbraw/zinc/49/19/76/947491976.db2.gz IIDLNYOTYVHNKR-LLVKDONJSA-N -1 3 387.400 0.142 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573603598 947491984 /nfs/dbraw/zinc/49/19/84/947491984.db2.gz IIDLNYOTYVHNKR-LLVKDONJSA-N -1 3 387.400 0.142 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573603808 947500284 /nfs/dbraw/zinc/50/02/84/947500284.db2.gz KLMXOYRUWBOGNB-LLVKDONJSA-N -1 3 387.400 0.142 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573603808 947500293 /nfs/dbraw/zinc/50/02/93/947500293.db2.gz KLMXOYRUWBOGNB-LLVKDONJSA-N -1 3 387.400 0.142 20 0 GCADHM COCCN1CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826159915 947503084 /nfs/dbraw/zinc/50/30/84/947503084.db2.gz XLWMQSBOBOUELS-MRXNPFEDSA-N -1 3 399.455 0.153 20 0 GCADHM COCCN1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826159915 947503096 /nfs/dbraw/zinc/50/30/96/947503096.db2.gz XLWMQSBOBOUELS-MRXNPFEDSA-N -1 3 399.455 0.153 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000826160430 947503975 /nfs/dbraw/zinc/50/39/75/947503975.db2.gz RGZUFCAWERDGDQ-HNNXBMFYSA-N -1 3 397.439 0.309 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000826160430 947503982 /nfs/dbraw/zinc/50/39/82/947503982.db2.gz RGZUFCAWERDGDQ-HNNXBMFYSA-N -1 3 397.439 0.309 20 0 GCADHM COCCOCCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826160880 947506273 /nfs/dbraw/zinc/50/62/73/947506273.db2.gz KNJMVZUUZMPLRR-OAHLLOKOSA-N -1 3 376.417 0.613 20 0 GCADHM COCCOCCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826160880 947506286 /nfs/dbraw/zinc/50/62/86/947506286.db2.gz KNJMVZUUZMPLRR-OAHLLOKOSA-N -1 3 376.417 0.613 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573604361 947507723 /nfs/dbraw/zinc/50/77/23/947507723.db2.gz SMUHMYIQGKWAPS-JTQLQIEISA-N -1 3 390.839 0.662 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573604361 947507730 /nfs/dbraw/zinc/50/77/30/947507730.db2.gz SMUHMYIQGKWAPS-JTQLQIEISA-N -1 3 390.839 0.662 20 0 GCADHM COCCn1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000826163937 947514762 /nfs/dbraw/zinc/51/47/62/947514762.db2.gz RJPOBOCXCAFUKI-CQSZACIVSA-N -1 3 385.384 0.401 20 0 GCADHM COCCn1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000826163937 947514773 /nfs/dbraw/zinc/51/47/73/947514773.db2.gz RJPOBOCXCAFUKI-CQSZACIVSA-N -1 3 385.384 0.401 20 0 GCADHM C[C@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001573605079 947522662 /nfs/dbraw/zinc/52/26/62/947522662.db2.gz UWCBCZUSYNPJNA-RTXFEEFZSA-N -1 3 383.412 0.788 20 0 GCADHM C[C@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001573605079 947522673 /nfs/dbraw/zinc/52/26/73/947522673.db2.gz UWCBCZUSYNPJNA-RTXFEEFZSA-N -1 3 383.412 0.788 20 0 GCADHM COc1c(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cccc1C(N)=O ZINC000826167086 947526960 /nfs/dbraw/zinc/52/69/60/947526960.db2.gz OXTZLICLRIHZOD-UHFFFAOYSA-N -1 3 397.399 0.603 20 0 GCADHM COc1c(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cccc1C(N)=O ZINC000826167086 947526971 /nfs/dbraw/zinc/52/69/71/947526971.db2.gz OXTZLICLRIHZOD-UHFFFAOYSA-N -1 3 397.399 0.603 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCN1CCCS1(=O)=O ZINC000826171138 947534032 /nfs/dbraw/zinc/53/40/32/947534032.db2.gz DPXQRJBBCPOXFU-UHFFFAOYSA-N -1 3 381.414 0.344 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCN1CCCS1(=O)=O ZINC000826171138 947534040 /nfs/dbraw/zinc/53/40/40/947534040.db2.gz DPXQRJBBCPOXFU-UHFFFAOYSA-N -1 3 381.414 0.344 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573606950 947535875 /nfs/dbraw/zinc/53/58/75/947535875.db2.gz BDRKUXCLPPGNLQ-NSHDSACASA-N -1 3 387.444 0.540 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573606950 947535887 /nfs/dbraw/zinc/53/58/87/947535887.db2.gz BDRKUXCLPPGNLQ-NSHDSACASA-N -1 3 387.444 0.540 20 0 GCADHM C[C@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573607164 947539772 /nfs/dbraw/zinc/53/97/72/947539772.db2.gz GHVZESXGVFKOCG-NSHDSACASA-N -1 3 380.412 0.582 20 0 GCADHM C[C@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573607164 947539780 /nfs/dbraw/zinc/53/97/80/947539780.db2.gz GHVZESXGVFKOCG-NSHDSACASA-N -1 3 380.412 0.582 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC1(CCO)CCOCC1 ZINC000826175217 947541454 /nfs/dbraw/zinc/54/14/54/947541454.db2.gz XCCGPIDENNUMPX-UHFFFAOYSA-N -1 3 377.401 0.302 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC1(CCO)CCOCC1 ZINC000826175217 947541463 /nfs/dbraw/zinc/54/14/63/947541463.db2.gz XCCGPIDENNUMPX-UHFFFAOYSA-N -1 3 377.401 0.302 20 0 GCADHM C[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573607163 947541417 /nfs/dbraw/zinc/54/14/17/947541417.db2.gz GHVZESXGVFKOCG-LLVKDONJSA-N -1 3 380.412 0.582 20 0 GCADHM C[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573607163 947541427 /nfs/dbraw/zinc/54/14/27/947541427.db2.gz GHVZESXGVFKOCG-LLVKDONJSA-N -1 3 380.412 0.582 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000826174693 947541551 /nfs/dbraw/zinc/54/15/51/947541551.db2.gz GGOIMXNSMHTMLB-CQSZACIVSA-N -1 3 394.391 0.786 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000826174693 947541560 /nfs/dbraw/zinc/54/15/60/947541560.db2.gz GGOIMXNSMHTMLB-CQSZACIVSA-N -1 3 394.391 0.786 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NN1CCCNC1=O ZINC000826175330 947545561 /nfs/dbraw/zinc/54/55/61/947545561.db2.gz AVXYOHIPYRUZMG-UHFFFAOYSA-N -1 3 375.389 0.481 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NN1CCCNC1=O ZINC000826175330 947545571 /nfs/dbraw/zinc/54/55/71/947545571.db2.gz AVXYOHIPYRUZMG-UHFFFAOYSA-N -1 3 375.389 0.481 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573607799 947553437 /nfs/dbraw/zinc/55/34/37/947553437.db2.gz RLLUNLAEMFPRJB-LLVKDONJSA-N -1 3 389.395 0.091 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573607799 947553446 /nfs/dbraw/zinc/55/34/46/947553446.db2.gz RLLUNLAEMFPRJB-LLVKDONJSA-N -1 3 389.395 0.091 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573613701 947569267 /nfs/dbraw/zinc/56/92/67/947569267.db2.gz GUBQNHNQRSIBRP-SJKOYZFVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573613701 947569273 /nfs/dbraw/zinc/56/92/73/947569273.db2.gz GUBQNHNQRSIBRP-SJKOYZFVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573614566 947587657 /nfs/dbraw/zinc/58/76/57/947587657.db2.gz MUZDNAZSGYHKCH-RWMBFGLXSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573614566 947587666 /nfs/dbraw/zinc/58/76/66/947587666.db2.gz MUZDNAZSGYHKCH-RWMBFGLXSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573614810 947593953 /nfs/dbraw/zinc/59/39/53/947593953.db2.gz HMSHIOZFUHEKHQ-XIKOKIGWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573614810 947593966 /nfs/dbraw/zinc/59/39/66/947593966.db2.gz HMSHIOZFUHEKHQ-XIKOKIGWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573614906 947595454 /nfs/dbraw/zinc/59/54/54/947595454.db2.gz BLFKBOHTYGVTLO-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573614906 947595476 /nfs/dbraw/zinc/59/54/76/947595476.db2.gz BLFKBOHTYGVTLO-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2)C1CC1 ZINC001573616008 947614916 /nfs/dbraw/zinc/61/49/16/947614916.db2.gz URLGKZIDMXFWEI-MFKMUULPSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2)C1CC1 ZINC001573616008 947614922 /nfs/dbraw/zinc/61/49/22/947614922.db2.gz URLGKZIDMXFWEI-MFKMUULPSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2)C1CC1 ZINC001573616002 947615637 /nfs/dbraw/zinc/61/56/37/947615637.db2.gz URLGKZIDMXFWEI-GWCFXTLKSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2)C1CC1 ZINC001573616002 947615644 /nfs/dbraw/zinc/61/56/44/947615644.db2.gz URLGKZIDMXFWEI-GWCFXTLKSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573616181 947618834 /nfs/dbraw/zinc/61/88/34/947618834.db2.gz MCJZPUGZWWPGMF-RKDXNWHRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573616181 947618842 /nfs/dbraw/zinc/61/88/42/947618842.db2.gz MCJZPUGZWWPGMF-RKDXNWHRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573616640 947625542 /nfs/dbraw/zinc/62/55/42/947625542.db2.gz YJESSYSCUZIKOA-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573616640 947625547 /nfs/dbraw/zinc/62/55/47/947625547.db2.gz YJESSYSCUZIKOA-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573616887 947629453 /nfs/dbraw/zinc/62/94/53/947629453.db2.gz JSAZRTBINALHOS-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573616887 947629458 /nfs/dbraw/zinc/62/94/58/947629458.db2.gz JSAZRTBINALHOS-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573616936 947631671 /nfs/dbraw/zinc/63/16/71/947631671.db2.gz ZKNKCYSEWLHIMG-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573616936 947631682 /nfs/dbraw/zinc/63/16/82/947631682.db2.gz ZKNKCYSEWLHIMG-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573617846 947641164 /nfs/dbraw/zinc/64/11/64/947641164.db2.gz PSZRGJXAMHVUGA-GTNSWQLSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573617846 947641170 /nfs/dbraw/zinc/64/11/70/947641170.db2.gz PSZRGJXAMHVUGA-GTNSWQLSSA-N -1 3 383.416 0.373 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC001573355834 947645786 /nfs/dbraw/zinc/64/57/86/947645786.db2.gz QOYHPRKJLXEOCK-CQSZACIVSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC001573355834 947645796 /nfs/dbraw/zinc/64/57/96/947645796.db2.gz QOYHPRKJLXEOCK-CQSZACIVSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573618036 947646258 /nfs/dbraw/zinc/64/62/58/947646258.db2.gz PFYMRRLJORWBTG-DOMZBBRYSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573618036 947646260 /nfs/dbraw/zinc/64/62/60/947646260.db2.gz PFYMRRLJORWBTG-DOMZBBRYSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573618317 947650409 /nfs/dbraw/zinc/65/04/09/947650409.db2.gz QLPVLNZCKVJKIP-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573618317 947650413 /nfs/dbraw/zinc/65/04/13/947650413.db2.gz QLPVLNZCKVJKIP-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573619180 947660703 /nfs/dbraw/zinc/66/07/03/947660703.db2.gz UPLMYBMTCGMVNB-OCCSQVGLSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573619180 947660705 /nfs/dbraw/zinc/66/07/05/947660705.db2.gz UPLMYBMTCGMVNB-OCCSQVGLSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001573619853 947671529 /nfs/dbraw/zinc/67/15/29/947671529.db2.gz YHPUYQYCXAZUAJ-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001573619853 947671535 /nfs/dbraw/zinc/67/15/35/947671535.db2.gz YHPUYQYCXAZUAJ-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573619842 947671865 /nfs/dbraw/zinc/67/18/65/947671865.db2.gz WZSFTTOPICXJKL-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573619842 947671877 /nfs/dbraw/zinc/67/18/77/947671877.db2.gz WZSFTTOPICXJKL-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CCN1S(C)(=O)=O ZINC000826232454 947680028 /nfs/dbraw/zinc/68/00/28/947680028.db2.gz NLTWDGVXPSDULU-GUOLPTJISA-N -1 3 376.442 0.372 20 0 GCADHM C[C@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CCN1S(C)(=O)=O ZINC000826232454 947680032 /nfs/dbraw/zinc/68/00/32/947680032.db2.gz NLTWDGVXPSDULU-GUOLPTJISA-N -1 3 376.442 0.372 20 0 GCADHM C[C@@H](C(=O)N1CCC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001573623642 947689821 /nfs/dbraw/zinc/68/98/21/947689821.db2.gz HGRFPTJSYLOLGT-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001573623642 947689829 /nfs/dbraw/zinc/68/98/29/947689829.db2.gz HGRFPTJSYLOLGT-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573623660 947690029 /nfs/dbraw/zinc/69/00/29/947690029.db2.gz HMFZZHIMBVKEIQ-STQMWFEESA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573623660 947690038 /nfs/dbraw/zinc/69/00/38/947690038.db2.gz HMFZZHIMBVKEIQ-STQMWFEESA-N -1 3 382.428 0.930 20 0 GCADHM Cc1c(Cl)cnc(N2CCC(C(=O)NCCCO)CC2)c1-c1nnn[n-]1 ZINC000826236995 947694970 /nfs/dbraw/zinc/69/49/70/947694970.db2.gz KILNUQUTXFAQNE-UHFFFAOYSA-N -1 3 379.852 0.939 20 0 GCADHM Cc1c(Cl)cnc(N2CCC(C(=O)NCCCO)CC2)c1-c1nn[n-]n1 ZINC000826236995 947694975 /nfs/dbraw/zinc/69/49/75/947694975.db2.gz KILNUQUTXFAQNE-UHFFFAOYSA-N -1 3 379.852 0.939 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573626414 947708339 /nfs/dbraw/zinc/70/83/39/947708339.db2.gz UQMDGDRAZQXYLU-RYUDHWBXSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573626414 947708348 /nfs/dbraw/zinc/70/83/48/947708348.db2.gz UQMDGDRAZQXYLU-RYUDHWBXSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573626363 947709055 /nfs/dbraw/zinc/70/90/55/947709055.db2.gz TZHDDJMDPZGOMK-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573626363 947709068 /nfs/dbraw/zinc/70/90/68/947709068.db2.gz TZHDDJMDPZGOMK-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573626416 947710364 /nfs/dbraw/zinc/71/03/64/947710364.db2.gz UQMDGDRAZQXYLU-VXGBXAGGSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573626416 947710368 /nfs/dbraw/zinc/71/03/68/947710368.db2.gz UQMDGDRAZQXYLU-VXGBXAGGSA-N -1 3 383.416 0.325 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2ccnc(N(C)C)n2)cccc1-c1nnn[n-]1 ZINC000826240971 947715353 /nfs/dbraw/zinc/71/53/53/947715353.db2.gz NGPOERIRCVIUPK-UHFFFAOYSA-N -1 3 381.400 0.286 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2ccnc(N(C)C)n2)cccc1-c1nn[n-]n1 ZINC000826240971 947715362 /nfs/dbraw/zinc/71/53/62/947715362.db2.gz NGPOERIRCVIUPK-UHFFFAOYSA-N -1 3 381.400 0.286 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573627470 947723923 /nfs/dbraw/zinc/72/39/23/947723923.db2.gz BWILXRSDKHRORV-GFCCVEGCSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573627470 947723932 /nfs/dbraw/zinc/72/39/32/947723932.db2.gz BWILXRSDKHRORV-GFCCVEGCSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573627472 947725655 /nfs/dbraw/zinc/72/56/55/947725655.db2.gz BWLSGGDHGDGHPX-GFCCVEGCSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573627472 947725662 /nfs/dbraw/zinc/72/56/62/947725662.db2.gz BWLSGGDHGDGHPX-GFCCVEGCSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)N1C(=O)CCC1=O ZINC001573627569 947726591 /nfs/dbraw/zinc/72/65/91/947726591.db2.gz ATAHWEBKNUXQRN-DGCLKSJQSA-N -1 3 398.427 0.202 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)N1C(=O)CCC1=O ZINC001573627569 947726596 /nfs/dbraw/zinc/72/65/96/947726596.db2.gz ATAHWEBKNUXQRN-DGCLKSJQSA-N -1 3 398.427 0.202 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000826250545 947726751 /nfs/dbraw/zinc/72/67/51/947726751.db2.gz GLXUYISRFQXAIU-UHFFFAOYSA-N -1 3 396.411 0.483 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000826250545 947726758 /nfs/dbraw/zinc/72/67/58/947726758.db2.gz GLXUYISRFQXAIU-UHFFFAOYSA-N -1 3 396.411 0.483 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573627671 947731481 /nfs/dbraw/zinc/73/14/81/947731481.db2.gz DPOJWGMBUXCRLL-TZMCWYRMSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573627671 947731487 /nfs/dbraw/zinc/73/14/87/947731487.db2.gz DPOJWGMBUXCRLL-TZMCWYRMSA-N -1 3 382.432 0.542 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)Cn2cncn2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258247 947743280 /nfs/dbraw/zinc/74/32/80/947743280.db2.gz FEIIBQNLMZERPM-LLVKDONJSA-N -1 3 378.400 0.771 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)Cn2cncn2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258247 947743296 /nfs/dbraw/zinc/74/32/96/947743296.db2.gz FEIIBQNLMZERPM-LLVKDONJSA-N -1 3 378.400 0.771 20 0 GCADHM CC(=CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cnccn1 ZINC001573367041 947753158 /nfs/dbraw/zinc/75/31/58/947753158.db2.gz ZRSYPXQUPCCCSM-JLHYYAGUSA-N -1 3 377.412 0.804 20 0 GCADHM CC(=CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cnccn1 ZINC001573367041 947753166 /nfs/dbraw/zinc/75/31/66/947753166.db2.gz ZRSYPXQUPCCCSM-JLHYYAGUSA-N -1 3 377.412 0.804 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573628850 947765198 /nfs/dbraw/zinc/76/51/98/947765198.db2.gz OMECOZCWMNNWBN-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573628850 947765204 /nfs/dbraw/zinc/76/52/04/947765204.db2.gz OMECOZCWMNNWBN-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628946 947767380 /nfs/dbraw/zinc/76/73/80/947767380.db2.gz PHZKAHWPOLMMKR-OCCSQVGLSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628946 947767387 /nfs/dbraw/zinc/76/73/87/947767387.db2.gz PHZKAHWPOLMMKR-OCCSQVGLSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573628911 947767551 /nfs/dbraw/zinc/76/75/51/947767551.db2.gz PCJCLOKVLMBEAT-MNOVXSKESA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573628911 947767554 /nfs/dbraw/zinc/76/75/54/947767554.db2.gz PCJCLOKVLMBEAT-MNOVXSKESA-N -1 3 379.446 0.098 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573368741 947768499 /nfs/dbraw/zinc/76/84/99/947768499.db2.gz OPQKFHIZPIKMJN-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573368741 947768504 /nfs/dbraw/zinc/76/85/04/947768504.db2.gz OPQKFHIZPIKMJN-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573628999 947769317 /nfs/dbraw/zinc/76/93/17/947769317.db2.gz QARVQQBKUHXKBY-LBPRGKRZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573628999 947769325 /nfs/dbraw/zinc/76/93/25/947769325.db2.gz QARVQQBKUHXKBY-LBPRGKRZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573629049 947771587 /nfs/dbraw/zinc/77/15/87/947771587.db2.gz QJCXRWSKHNDKFN-CHWSQXEVSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573629049 947771590 /nfs/dbraw/zinc/77/15/90/947771590.db2.gz QJCXRWSKHNDKFN-CHWSQXEVSA-N -1 3 382.432 0.542 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573369235 947771964 /nfs/dbraw/zinc/77/19/64/947771964.db2.gz RZXONJHHAISTDB-CYBMUJFWSA-N -1 3 375.433 0.561 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573369235 947771970 /nfs/dbraw/zinc/77/19/70/947771970.db2.gz RZXONJHHAISTDB-CYBMUJFWSA-N -1 3 375.433 0.561 20 0 GCADHM Cc1cc(N2CCOC[C@H]2C(N)=O)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826269210 947778010 /nfs/dbraw/zinc/77/80/10/947778010.db2.gz DYOQZRGVGSUIBZ-ZDUSSCGKSA-N -1 3 378.396 0.667 20 0 GCADHM Cc1cc(N2CCOC[C@H]2C(N)=O)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826269210 947778016 /nfs/dbraw/zinc/77/80/16/947778016.db2.gz DYOQZRGVGSUIBZ-ZDUSSCGKSA-N -1 3 378.396 0.667 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573369838 947778675 /nfs/dbraw/zinc/77/86/75/947778675.db2.gz XVXFGUZFSVNYNL-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573369838 947778686 /nfs/dbraw/zinc/77/86/86/947778686.db2.gz XVXFGUZFSVNYNL-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573629741 947783768 /nfs/dbraw/zinc/78/37/68/947783768.db2.gz UYZKZKSTNKRLHZ-ZDUSSCGKSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573629741 947783781 /nfs/dbraw/zinc/78/37/81/947783781.db2.gz UYZKZKSTNKRLHZ-ZDUSSCGKSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573630246 947789017 /nfs/dbraw/zinc/78/90/17/947789017.db2.gz XAUHRMNRWZFHQV-CMPLNLGQSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573630246 947789025 /nfs/dbraw/zinc/78/90/25/947789025.db2.gz XAUHRMNRWZFHQV-CMPLNLGQSA-N -1 3 386.395 0.656 20 0 GCADHM Cc1cc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(C)o1 ZINC000826272142 947790147 /nfs/dbraw/zinc/79/01/47/947790147.db2.gz WECOTVIBMNUURA-UHFFFAOYSA-N -1 3 389.441 0.982 20 0 GCADHM Cc1cc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(C)o1 ZINC000826272142 947790155 /nfs/dbraw/zinc/79/01/55/947790155.db2.gz WECOTVIBMNUURA-UHFFFAOYSA-N -1 3 389.441 0.982 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573373673 947796555 /nfs/dbraw/zinc/79/65/55/947796555.db2.gz KCYXVEHPUNACCL-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573373673 947796565 /nfs/dbraw/zinc/79/65/65/947796565.db2.gz KCYXVEHPUNACCL-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000826277339 947800012 /nfs/dbraw/zinc/80/00/12/947800012.db2.gz REXWGVLGMGZWMY-UHFFFAOYSA-N -1 3 390.367 0.728 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000826277339 947800020 /nfs/dbraw/zinc/80/00/20/947800020.db2.gz REXWGVLGMGZWMY-UHFFFAOYSA-N -1 3 390.367 0.728 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000826280173 947804130 /nfs/dbraw/zinc/80/41/30/947804130.db2.gz QBCCNTXBZGDXLV-AWEZNQCLSA-N -1 3 384.421 0.869 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000826280173 947804134 /nfs/dbraw/zinc/80/41/34/947804134.db2.gz QBCCNTXBZGDXLV-AWEZNQCLSA-N -1 3 384.421 0.869 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573631802 947804157 /nfs/dbraw/zinc/80/41/57/947804157.db2.gz WYCRUJAGIASZRB-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573631802 947804165 /nfs/dbraw/zinc/80/41/65/947804165.db2.gz WYCRUJAGIASZRB-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573631801 947804444 /nfs/dbraw/zinc/80/44/44/947804444.db2.gz WYCRUJAGIASZRB-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573631801 947804459 /nfs/dbraw/zinc/80/44/59/947804459.db2.gz WYCRUJAGIASZRB-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573374200 947807348 /nfs/dbraw/zinc/80/73/48/947807348.db2.gz NKCMQJASMASOMJ-SFHVURJKSA-N -1 3 387.444 0.786 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573374200 947807362 /nfs/dbraw/zinc/80/73/62/947807362.db2.gz NKCMQJASMASOMJ-SFHVURJKSA-N -1 3 387.444 0.786 20 0 GCADHM CC(=O)CCCC(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573374610 947811764 /nfs/dbraw/zinc/81/17/64/947811764.db2.gz KKMIAKYZAFNLCN-SFHVURJKSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573374610 947811768 /nfs/dbraw/zinc/81/17/68/947811768.db2.gz KKMIAKYZAFNLCN-SFHVURJKSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573374998 947813911 /nfs/dbraw/zinc/81/39/11/947813911.db2.gz LPJBDRJDDGPOEI-UONOGXRCSA-N -1 3 392.485 0.739 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O ZINC001573374998 947813914 /nfs/dbraw/zinc/81/39/14/947813914.db2.gz LPJBDRJDDGPOEI-UONOGXRCSA-N -1 3 392.485 0.739 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCCO1 ZINC001573637524 947817985 /nfs/dbraw/zinc/81/79/85/947817985.db2.gz HJPVYNQTXHTZLW-IUODEOHRSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCCO1 ZINC001573637524 947817995 /nfs/dbraw/zinc/81/79/95/947817995.db2.gz HJPVYNQTXHTZLW-IUODEOHRSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@H]1CCCO1 ZINC001573637725 947822591 /nfs/dbraw/zinc/82/25/91/947822591.db2.gz OHQLXJOVPQRUJY-SWLSCSKDSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@H]1CCCO1 ZINC001573637725 947822603 /nfs/dbraw/zinc/82/26/03/947822603.db2.gz OHQLXJOVPQRUJY-SWLSCSKDSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001573637795 947825250 /nfs/dbraw/zinc/82/52/50/947825250.db2.gz QUISHRZNTUAFIP-GXTWGEPZSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001573637795 947825259 /nfs/dbraw/zinc/82/52/59/947825259.db2.gz QUISHRZNTUAFIP-GXTWGEPZSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)S(C)(=O)=O ZINC001573638073 947833662 /nfs/dbraw/zinc/83/36/62/947833662.db2.gz BXHLDJQJGWANLX-JTQLQIEISA-N -1 3 384.487 0.006 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573376518 947839120 /nfs/dbraw/zinc/83/91/20/947839120.db2.gz AAIPNEIGOJODLA-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573376518 947839125 /nfs/dbraw/zinc/83/91/25/947839125.db2.gz AAIPNEIGOJODLA-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CCOCC1 ZINC001573638757 947842409 /nfs/dbraw/zinc/84/24/09/947842409.db2.gz UKRGXJYVMPVYTR-LBPRGKRZSA-N -1 3 387.444 0.542 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CCOCC1 ZINC001573638757 947842419 /nfs/dbraw/zinc/84/24/19/947842419.db2.gz UKRGXJYVMPVYTR-LBPRGKRZSA-N -1 3 387.444 0.542 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573376913 947844141 /nfs/dbraw/zinc/84/41/41/947844141.db2.gz FGKHTDZHGPTVIQ-IPYPFGDCSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573376913 947844150 /nfs/dbraw/zinc/84/41/50/947844150.db2.gz FGKHTDZHGPTVIQ-IPYPFGDCSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N1CCO[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573377077 947846684 /nfs/dbraw/zinc/84/66/84/947846684.db2.gz HFRHEOCPNKALGQ-CQSZACIVSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N1CCO[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573377077 947846694 /nfs/dbraw/zinc/84/66/94/947846694.db2.gz HFRHEOCPNKALGQ-CQSZACIVSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573639765 947848411 /nfs/dbraw/zinc/84/84/11/947848411.db2.gz CPOKFYJCRDAFPY-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573639765 947848418 /nfs/dbraw/zinc/84/84/18/947848418.db2.gz CPOKFYJCRDAFPY-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573640119 947849738 /nfs/dbraw/zinc/84/97/38/947849738.db2.gz FVAKOUUWFUBQQZ-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573640119 947849745 /nfs/dbraw/zinc/84/97/45/947849745.db2.gz FVAKOUUWFUBQQZ-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573378204 947854095 /nfs/dbraw/zinc/85/40/95/947854095.db2.gz WIXPTVSHZGWGSJ-BXUZGUMPSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573378204 947854100 /nfs/dbraw/zinc/85/41/00/947854100.db2.gz WIXPTVSHZGWGSJ-BXUZGUMPSA-N -1 3 387.444 0.778 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573642242 947860551 /nfs/dbraw/zinc/86/05/51/947860551.db2.gz PGSAQUUCQGHYBG-WCQYABFASA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573642242 947860561 /nfs/dbraw/zinc/86/05/61/947860561.db2.gz PGSAQUUCQGHYBG-WCQYABFASA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573642293 947860757 /nfs/dbraw/zinc/86/07/57/947860757.db2.gz PSZHFXHEJJNKKA-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573642293 947860767 /nfs/dbraw/zinc/86/07/67/947860767.db2.gz PSZHFXHEJJNKKA-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573380544 947860811 /nfs/dbraw/zinc/86/08/11/947860811.db2.gz FCNZTKVKDJFGCY-UKRRQHHQSA-N -1 3 390.419 0.821 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573380544 947860813 /nfs/dbraw/zinc/86/08/13/947860813.db2.gz FCNZTKVKDJFGCY-UKRRQHHQSA-N -1 3 390.419 0.821 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573380542 947860997 /nfs/dbraw/zinc/86/09/97/947860997.db2.gz FCNZTKVKDJFGCY-DZGCQCFKSA-N -1 3 390.419 0.821 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573380542 947861002 /nfs/dbraw/zinc/86/10/02/947861002.db2.gz FCNZTKVKDJFGCY-DZGCQCFKSA-N -1 3 390.419 0.821 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573642296 947861457 /nfs/dbraw/zinc/86/14/57/947861457.db2.gz PSZHFXHEJJNKKA-NWDGAFQWSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573642296 947861462 /nfs/dbraw/zinc/86/14/62/947861462.db2.gz PSZHFXHEJJNKKA-NWDGAFQWSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573642436 947861825 /nfs/dbraw/zinc/86/18/25/947861825.db2.gz QMDNEGLUQLJBAX-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573642436 947861828 /nfs/dbraw/zinc/86/18/28/947861828.db2.gz QMDNEGLUQLJBAX-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573380877 947865557 /nfs/dbraw/zinc/86/55/57/947865557.db2.gz JBPHQGBUIRZRMT-GOSISDBHSA-N -1 3 387.444 0.387 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573380877 947865562 /nfs/dbraw/zinc/86/55/62/947865562.db2.gz JBPHQGBUIRZRMT-GOSISDBHSA-N -1 3 387.444 0.387 20 0 GCADHM C[C@H](C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)c1cnn(C)c1 ZINC001573643674 947865785 /nfs/dbraw/zinc/86/57/85/947865785.db2.gz WCEXZYLMIJKMAG-NSHDSACASA-N -1 3 385.407 0.587 20 0 GCADHM C[C@H](C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)c1cnn(C)c1 ZINC001573643674 947865795 /nfs/dbraw/zinc/86/57/95/947865795.db2.gz WCEXZYLMIJKMAG-NSHDSACASA-N -1 3 385.407 0.587 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573381178 947871104 /nfs/dbraw/zinc/87/11/04/947871104.db2.gz PUOODYFHDKPHSA-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573381178 947871108 /nfs/dbraw/zinc/87/11/08/947871108.db2.gz PUOODYFHDKPHSA-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C)n1cccc1 ZINC001573646209 947873716 /nfs/dbraw/zinc/87/37/16/947873716.db2.gz GZYSOEBCEGEVKN-UPJWGTAASA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C)n1cccc1 ZINC001573646209 947873722 /nfs/dbraw/zinc/87/37/22/947873722.db2.gz GZYSOEBCEGEVKN-UPJWGTAASA-N -1 3 382.428 0.977 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573381649 947876013 /nfs/dbraw/zinc/87/60/13/947876013.db2.gz XEPJCFIRGNDLJW-QWHCGFSZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573381649 947876025 /nfs/dbraw/zinc/87/60/25/947876025.db2.gz XEPJCFIRGNDLJW-QWHCGFSZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573381757 947878718 /nfs/dbraw/zinc/87/87/18/947878718.db2.gz YQBJOMWNTCIMSO-KRWDZBQOSA-N -1 3 391.407 0.218 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573381757 947878723 /nfs/dbraw/zinc/87/87/23/947878723.db2.gz YQBJOMWNTCIMSO-KRWDZBQOSA-N -1 3 391.407 0.218 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001573381778 947879564 /nfs/dbraw/zinc/87/95/64/947879564.db2.gz YWGQSWXOUIEGRF-ZIAGYGMSSA-N -1 3 391.407 0.216 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573381778 947879572 /nfs/dbraw/zinc/87/95/72/947879572.db2.gz YWGQSWXOUIEGRF-ZIAGYGMSSA-N -1 3 391.407 0.216 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647204 947887001 /nfs/dbraw/zinc/88/70/01/947887001.db2.gz DTNTVRLTZRMWAI-HNKHHVNMSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647204 947887009 /nfs/dbraw/zinc/88/70/09/947887009.db2.gz DTNTVRLTZRMWAI-HNKHHVNMSA-N -1 3 383.456 0.971 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573382822 947888621 /nfs/dbraw/zinc/88/86/21/947888621.db2.gz KZCRXHCZRKFMQJ-QGZVFWFLSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573382822 947888629 /nfs/dbraw/zinc/88/86/29/947888629.db2.gz KZCRXHCZRKFMQJ-QGZVFWFLSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCO1 ZINC001573383441 947890080 /nfs/dbraw/zinc/89/00/80/947890080.db2.gz QPNIAKCAUMPMEW-AWEZNQCLSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCO1 ZINC001573383441 947890090 /nfs/dbraw/zinc/89/00/90/947890090.db2.gz QPNIAKCAUMPMEW-AWEZNQCLSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001573383805 947895243 /nfs/dbraw/zinc/89/52/43/947895243.db2.gz XQEBDIMTVGCCMI-FZMZJTMJSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001573383805 947895248 /nfs/dbraw/zinc/89/52/48/947895248.db2.gz XQEBDIMTVGCCMI-FZMZJTMJSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001573383808 947895420 /nfs/dbraw/zinc/89/54/20/947895420.db2.gz XQEBDIMTVGCCMI-RISCZKNCSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001573383808 947895425 /nfs/dbraw/zinc/89/54/25/947895425.db2.gz XQEBDIMTVGCCMI-RISCZKNCSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573383823 947896344 /nfs/dbraw/zinc/89/63/44/947896344.db2.gz BMVLNUQMTWLVHO-UGFHNGPFSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573383823 947896354 /nfs/dbraw/zinc/89/63/54/947896354.db2.gz BMVLNUQMTWLVHO-UGFHNGPFSA-N -1 3 385.428 0.816 20 0 GCADHM Cc1ccnc(N2CCN(c3nccn4cnnc34)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826310714 947897429 /nfs/dbraw/zinc/89/74/29/947897429.db2.gz FSHFHTSJMGCNJO-GFCCVEGCSA-N -1 3 377.416 0.723 20 0 GCADHM Cc1ccnc(N2CCN(c3nccn4cnnc34)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826310714 947897438 /nfs/dbraw/zinc/89/74/38/947897438.db2.gz FSHFHTSJMGCNJO-GFCCVEGCSA-N -1 3 377.416 0.723 20 0 GCADHM C[C@H](C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)N1CCN(C)CC1 ZINC001573647636 947900069 /nfs/dbraw/zinc/90/00/69/947900069.db2.gz RAEGSXNDFKQPFV-SNVBAGLBSA-N -1 3 376.490 0.031 20 0 GCADHM C[C@H](C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)N1CCN(C)CC1 ZINC001573647636 947900078 /nfs/dbraw/zinc/90/00/78/947900078.db2.gz RAEGSXNDFKQPFV-SNVBAGLBSA-N -1 3 376.490 0.031 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573384528 947903584 /nfs/dbraw/zinc/90/35/84/947903584.db2.gz QKVZNWUGMVLLMS-NFAWXSAZSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573384528 947903590 /nfs/dbraw/zinc/90/35/90/947903590.db2.gz QKVZNWUGMVLLMS-NFAWXSAZSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573384475 947903967 /nfs/dbraw/zinc/90/39/67/947903967.db2.gz OIYKTWONANKPBI-HZPDHXFCSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573384475 947903974 /nfs/dbraw/zinc/90/39/74/947903974.db2.gz OIYKTWONANKPBI-HZPDHXFCSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573384662 947906573 /nfs/dbraw/zinc/90/65/73/947906573.db2.gz UVZVNCFVWIENTC-NFAWXSAZSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573384662 947906585 /nfs/dbraw/zinc/90/65/85/947906585.db2.gz UVZVNCFVWIENTC-NFAWXSAZSA-N -1 3 385.428 0.816 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001573650267 947908209 /nfs/dbraw/zinc/90/82/09/947908209.db2.gz AIOORZVQFPIJKV-CQDKDKBSSA-N -1 3 379.428 0.588 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001573650267 947908223 /nfs/dbraw/zinc/90/82/23/947908223.db2.gz AIOORZVQFPIJKV-CQDKDKBSSA-N -1 3 379.428 0.588 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573648432 947908241 /nfs/dbraw/zinc/90/82/41/947908241.db2.gz ZTGUQXBIYLVFMF-JTNHKYCSSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573648432 947908248 /nfs/dbraw/zinc/90/82/48/947908248.db2.gz ZTGUQXBIYLVFMF-JTNHKYCSSA-N -1 3 383.416 0.229 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C(C)(C)C1 ZINC001573387410 947910629 /nfs/dbraw/zinc/91/06/29/947910629.db2.gz ALELKLJWNTXOLN-ZDUSSCGKSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C(C)(C)C1 ZINC001573387410 947910641 /nfs/dbraw/zinc/91/06/41/947910641.db2.gz ALELKLJWNTXOLN-ZDUSSCGKSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573650969 947916288 /nfs/dbraw/zinc/91/62/88/947916288.db2.gz GUSUEJZZVRIESP-APAOZMKASA-N -1 3 381.396 0.778 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573650969 947916293 /nfs/dbraw/zinc/91/62/93/947916293.db2.gz GUSUEJZZVRIESP-APAOZMKASA-N -1 3 381.396 0.778 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573651149 947918037 /nfs/dbraw/zinc/91/80/37/947918037.db2.gz IXLMRAQSPAUGSR-XBFCOCLRSA-N -1 3 392.423 0.819 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573651149 947918043 /nfs/dbraw/zinc/91/80/43/947918043.db2.gz IXLMRAQSPAUGSR-XBFCOCLRSA-N -1 3 392.423 0.819 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573388606 947921114 /nfs/dbraw/zinc/92/11/14/947921114.db2.gz MNSVPTXMXDUTTE-YPMHNXCESA-N -1 3 389.435 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573388606 947921115 /nfs/dbraw/zinc/92/11/15/947921115.db2.gz MNSVPTXMXDUTTE-YPMHNXCESA-N -1 3 389.435 0.991 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001573651685 947923760 /nfs/dbraw/zinc/92/37/60/947923760.db2.gz OTBGXXJITBWUGZ-OZWUEAAUSA-N -1 3 381.396 0.778 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001573651685 947923767 /nfs/dbraw/zinc/92/37/67/947923767.db2.gz OTBGXXJITBWUGZ-OZWUEAAUSA-N -1 3 381.396 0.778 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573389563 947926525 /nfs/dbraw/zinc/92/65/25/947926525.db2.gz SUMWVCJKYDKMJW-UHFFFAOYSA-N -1 3 392.439 0.776 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573389563 947926527 /nfs/dbraw/zinc/92/65/27/947926527.db2.gz SUMWVCJKYDKMJW-UHFFFAOYSA-N -1 3 392.439 0.776 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573652020 947927263 /nfs/dbraw/zinc/92/72/63/947927263.db2.gz UNLWEJUTKCIGMS-KCXAZCMYSA-N -1 3 379.428 0.505 20 0 GCADHM Cc1cn2c(n1)CN(C(=O)c1ccc(-n3ncc(-c4nnn[n-]4)c3N)cc1)CC2 ZINC000826317263 947927333 /nfs/dbraw/zinc/92/73/33/947927333.db2.gz VERXQSNNRZNSRM-UHFFFAOYSA-N -1 3 390.411 0.796 20 0 GCADHM Cc1cn2c(n1)CN(C(=O)c1ccc(-n3ncc(-c4nn[n-]n4)c3N)cc1)CC2 ZINC000826317263 947927338 /nfs/dbraw/zinc/92/73/38/947927338.db2.gz VERXQSNNRZNSRM-UHFFFAOYSA-N -1 3 390.411 0.796 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573390721 947931317 /nfs/dbraw/zinc/93/13/17/947931317.db2.gz BGTRANWEXDTAPQ-LBPRGKRZSA-N -1 3 392.851 0.796 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573390721 947931320 /nfs/dbraw/zinc/93/13/20/947931320.db2.gz BGTRANWEXDTAPQ-LBPRGKRZSA-N -1 3 392.851 0.796 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573390699 947931418 /nfs/dbraw/zinc/93/14/18/947931418.db2.gz AHRZBYLDTKWYOV-UHFFFAOYSA-N -1 3 389.435 0.518 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573390699 947931420 /nfs/dbraw/zinc/93/14/20/947931420.db2.gz AHRZBYLDTKWYOV-UHFFFAOYSA-N -1 3 389.435 0.518 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573390720 947931780 /nfs/dbraw/zinc/93/17/80/947931780.db2.gz BGTRANWEXDTAPQ-GFCCVEGCSA-N -1 3 392.851 0.796 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573390720 947931786 /nfs/dbraw/zinc/93/17/86/947931786.db2.gz BGTRANWEXDTAPQ-GFCCVEGCSA-N -1 3 392.851 0.796 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001573652172 947932304 /nfs/dbraw/zinc/93/23/04/947932304.db2.gz VMCHXFPPKDBISN-WQAKAFBOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001573652172 947932311 /nfs/dbraw/zinc/93/23/11/947932311.db2.gz VMCHXFPPKDBISN-WQAKAFBOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573652266 947933480 /nfs/dbraw/zinc/93/34/80/947933480.db2.gz WPKRBXBDBKHUDC-AYDFFVQHSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573652266 947933486 /nfs/dbraw/zinc/93/34/86/947933486.db2.gz WPKRBXBDBKHUDC-AYDFFVQHSA-N -1 3 383.456 0.971 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573391753 947935686 /nfs/dbraw/zinc/93/56/86/947935686.db2.gz JDZKDKKSEWNWOU-NSHDSACASA-N -1 3 378.462 0.513 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573391752 947936409 /nfs/dbraw/zinc/93/64/09/947936409.db2.gz JDZKDKKSEWNWOU-LLVKDONJSA-N -1 3 378.462 0.513 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573391426 947936515 /nfs/dbraw/zinc/93/65/15/947936515.db2.gz HQYCTGSSFRGZJC-CQSZACIVSA-N -1 3 386.460 0.841 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573391426 947936524 /nfs/dbraw/zinc/93/65/24/947936524.db2.gz HQYCTGSSFRGZJC-CQSZACIVSA-N -1 3 386.460 0.841 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C1CCCC1 ZINC001573652389 947938307 /nfs/dbraw/zinc/93/83/07/947938307.db2.gz YRMXCEDUGRIGJW-VQISRLSMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C1CCCC1 ZINC001573652389 947938314 /nfs/dbraw/zinc/93/83/14/947938314.db2.gz YRMXCEDUGRIGJW-VQISRLSMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573652410 947938467 /nfs/dbraw/zinc/93/84/67/947938467.db2.gz ZIBJDSHYLNRWQI-BXSSEVMYSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573652410 947938472 /nfs/dbraw/zinc/93/84/72/947938472.db2.gz ZIBJDSHYLNRWQI-BXSSEVMYSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573652420 947938505 /nfs/dbraw/zinc/93/85/05/947938505.db2.gz ZKCZYYWMEONBMO-LSJOCFKGSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573652420 947938508 /nfs/dbraw/zinc/93/85/08/947938508.db2.gz ZKCZYYWMEONBMO-LSJOCFKGSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573652470 947940447 /nfs/dbraw/zinc/94/04/47/947940447.db2.gz CLADISVMIXUOEZ-WCQYABFASA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573392129 947941512 /nfs/dbraw/zinc/94/15/12/947941512.db2.gz SYOALKPVMVDCHP-TZMCWYRMSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573392129 947941520 /nfs/dbraw/zinc/94/15/20/947941520.db2.gz SYOALKPVMVDCHP-TZMCWYRMSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573392113 947942587 /nfs/dbraw/zinc/94/25/87/947942587.db2.gz SFZPYZXLBYMXRA-WBMJQRKESA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573392113 947942591 /nfs/dbraw/zinc/94/25/91/947942591.db2.gz SFZPYZXLBYMXRA-WBMJQRKESA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573392642 947948793 /nfs/dbraw/zinc/94/87/93/947948793.db2.gz CYMVURZYECWLEO-LSDHHAIUSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573392642 947948800 /nfs/dbraw/zinc/94/88/00/947948800.db2.gz CYMVURZYECWLEO-LSDHHAIUSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573652890 947949094 /nfs/dbraw/zinc/94/90/94/947949094.db2.gz HZGXDDKLWHFBIW-WCQYABFASA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392708 947950492 /nfs/dbraw/zinc/95/04/92/947950492.db2.gz FRUZYEPIHAOJTP-OCCSQVGLSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392708 947950499 /nfs/dbraw/zinc/95/04/99/947950499.db2.gz FRUZYEPIHAOJTP-OCCSQVGLSA-N -1 3 386.460 0.637 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573653076 947951984 /nfs/dbraw/zinc/95/19/84/947951984.db2.gz IYMFFGQVQGGFBV-VXGBXAGGSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573653076 947951989 /nfs/dbraw/zinc/95/19/89/947951989.db2.gz IYMFFGQVQGGFBV-VXGBXAGGSA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573392856 947953256 /nfs/dbraw/zinc/95/32/56/947953256.db2.gz GSKNWBBCNLZTRC-IAQYHMDHSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573392856 947953260 /nfs/dbraw/zinc/95/32/60/947953260.db2.gz GSKNWBBCNLZTRC-IAQYHMDHSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@H]1C ZINC001573393036 947955459 /nfs/dbraw/zinc/95/54/59/947955459.db2.gz IRAWHABYYFGRFR-NOZJJQNGSA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@H]1C ZINC001573393036 947955467 /nfs/dbraw/zinc/95/54/67/947955467.db2.gz IRAWHABYYFGRFR-NOZJJQNGSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573653291 947955615 /nfs/dbraw/zinc/95/56/15/947955615.db2.gz KJHHZUZBHXTFQL-ZMZPIMSZSA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573393737 947960523 /nfs/dbraw/zinc/96/05/23/947960523.db2.gz PLOCAOOZNRBWDG-LBPRGKRZSA-N -1 3 392.489 0.395 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)[C@@H]1C ZINC001573394400 947963991 /nfs/dbraw/zinc/96/39/91/947963991.db2.gz SXTFNBKGUGMQEU-GXSJLCMTSA-N -1 3 378.462 0.511 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573394418 947964165 /nfs/dbraw/zinc/96/41/65/947964165.db2.gz TWEANQFUTCUZDH-FZMZJTMJSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573394418 947964168 /nfs/dbraw/zinc/96/41/68/947964168.db2.gz TWEANQFUTCUZDH-FZMZJTMJSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)[C@@H]1C ZINC001573394403 947964668 /nfs/dbraw/zinc/96/46/68/947964668.db2.gz SXTFNBKGUGMQEU-ONGXEEELSA-N -1 3 378.462 0.511 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573394744 947966567 /nfs/dbraw/zinc/96/65/67/947966567.db2.gz VTXYSCUPRYTJEK-SFHVURJKSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573394744 947966575 /nfs/dbraw/zinc/96/65/75/947966575.db2.gz VTXYSCUPRYTJEK-SFHVURJKSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573395650 947971196 /nfs/dbraw/zinc/97/11/96/947971196.db2.gz ZOYOCPSBZIPNEV-JOYOIKCWSA-N -1 3 392.489 0.759 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573397510 947972226 /nfs/dbraw/zinc/97/22/26/947972226.db2.gz BEGOOWYVHYOFSS-CYBMUJFWSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573397510 947972229 /nfs/dbraw/zinc/97/22/29/947972229.db2.gz BEGOOWYVHYOFSS-CYBMUJFWSA-N -1 3 376.396 0.186 20 0 GCADHM Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826339645 947976860 /nfs/dbraw/zinc/97/68/60/947976860.db2.gz MXSFHSFDCHQRKG-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826339645 947976865 /nfs/dbraw/zinc/97/68/65/947976865.db2.gz MXSFHSFDCHQRKG-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573655397 947977963 /nfs/dbraw/zinc/97/79/63/947977963.db2.gz XEISNNRXNMYABZ-MFKMUULPSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573655397 947977971 /nfs/dbraw/zinc/97/79/71/947977971.db2.gz XEISNNRXNMYABZ-MFKMUULPSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CC2(C1)CC(Nc1ncccc1-c1nnn[n-]1)C2 ZINC001573398552 947983802 /nfs/dbraw/zinc/98/38/02/947983802.db2.gz MSKACRDHBDJSLU-UHFFFAOYSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CC2(C1)CC(Nc1ncccc1-c1nn[n-]n1)C2 ZINC001573398552 947983808 /nfs/dbraw/zinc/98/38/08/947983808.db2.gz MSKACRDHBDJSLU-UHFFFAOYSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573398572 947983968 /nfs/dbraw/zinc/98/39/68/947983968.db2.gz NITVGFSKYPBISR-LLVKDONJSA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573398661 947984070 /nfs/dbraw/zinc/98/40/70/947984070.db2.gz OKHNKOGSAWELDN-UHFFFAOYSA-N -1 3 389.435 0.959 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573398661 947984078 /nfs/dbraw/zinc/98/40/78/947984078.db2.gz OKHNKOGSAWELDN-UHFFFAOYSA-N -1 3 389.435 0.959 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(C)CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573398853 947986268 /nfs/dbraw/zinc/98/62/68/947986268.db2.gz PNQNJODRUCVDIX-UHFFFAOYSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(C)CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573398853 947986284 /nfs/dbraw/zinc/98/62/84/947986284.db2.gz PNQNJODRUCVDIX-UHFFFAOYSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)cn1)C2 ZINC001573398861 947986321 /nfs/dbraw/zinc/98/63/21/947986321.db2.gz PWKVLYLAANIIPW-UHFFFAOYSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)cn1)C2 ZINC001573398861 947986325 /nfs/dbraw/zinc/98/63/25/947986325.db2.gz PWKVLYLAANIIPW-UHFFFAOYSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573656203 947986324 /nfs/dbraw/zinc/98/63/24/947986324.db2.gz DKAPLGNRPIPZIA-PXAZEXFGSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001573398706 947986401 /nfs/dbraw/zinc/98/64/01/947986401.db2.gz OUYGISWDUMFHBU-KBPBESRZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001573398706 947986410 /nfs/dbraw/zinc/98/64/10/947986410.db2.gz OUYGISWDUMFHBU-KBPBESRZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573399255 947990342 /nfs/dbraw/zinc/99/03/42/947990342.db2.gz ULUDYXGOCVHXMH-KGLIPLIRSA-N -1 3 384.444 0.025 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573399255 947990344 /nfs/dbraw/zinc/99/03/44/947990344.db2.gz ULUDYXGOCVHXMH-KGLIPLIRSA-N -1 3 384.444 0.025 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573399254 947990553 /nfs/dbraw/zinc/99/05/53/947990553.db2.gz ULQBFGWJJIYUNB-OAHLLOKOSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573399254 947990559 /nfs/dbraw/zinc/99/05/59/947990559.db2.gz ULQBFGWJJIYUNB-OAHLLOKOSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001573399618 947994084 /nfs/dbraw/zinc/99/40/84/947994084.db2.gz XTOYPHZXSNWBKL-KDOFPFPSSA-N -1 3 384.444 0.025 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001573399618 947994089 /nfs/dbraw/zinc/99/40/89/947994089.db2.gz XTOYPHZXSNWBKL-KDOFPFPSSA-N -1 3 384.444 0.025 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573657123 947998287 /nfs/dbraw/zinc/99/82/87/947998287.db2.gz LCKUCZQELQXAGY-SGTLLEGYSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573657123 947998293 /nfs/dbraw/zinc/99/82/93/947998293.db2.gz LCKUCZQELQXAGY-SGTLLEGYSA-N -1 3 381.444 0.884 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)CC1(C)C ZINC001573401877 948000110 /nfs/dbraw/zinc/00/01/10/948000110.db2.gz DYXUFJOMODDDMB-LLVKDONJSA-N -1 3 392.489 0.441 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573402264 948000179 /nfs/dbraw/zinc/00/01/79/948000179.db2.gz FMSUSWFWMZKSHZ-GWCFXTLKSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573402264 948000183 /nfs/dbraw/zinc/00/01/83/948000183.db2.gz FMSUSWFWMZKSHZ-GWCFXTLKSA-N -1 3 390.423 0.353 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573657687 948002504 /nfs/dbraw/zinc/00/25/04/948002504.db2.gz OOINVXQPGKWSNY-DIFFPNOSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573657687 948002509 /nfs/dbraw/zinc/00/25/09/948002509.db2.gz OOINVXQPGKWSNY-DIFFPNOSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573657658 948002655 /nfs/dbraw/zinc/00/26/55/948002655.db2.gz OGBZQDFGHWJXBA-GTNSWQLSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573657658 948002665 /nfs/dbraw/zinc/00/26/65/948002665.db2.gz OGBZQDFGHWJXBA-GTNSWQLSSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573403038 948009309 /nfs/dbraw/zinc/00/93/09/948009309.db2.gz KSRSAIQCKDXUJA-LLVKDONJSA-N -1 3 377.424 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573403472 948010352 /nfs/dbraw/zinc/01/03/52/948010352.db2.gz NDSOBELHAUPYJQ-NEPJUHHUSA-N -1 3 392.489 0.949 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)n1cccn1 ZINC001573658943 948012364 /nfs/dbraw/zinc/01/23/64/948012364.db2.gz UGZUBRYRWFKOFG-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)n1cccn1 ZINC001573658943 948012370 /nfs/dbraw/zinc/01/23/70/948012370.db2.gz UGZUBRYRWFKOFG-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573403733 948014036 /nfs/dbraw/zinc/01/40/36/948014036.db2.gz NZXCLPYTYZMFAM-SKDRFNHKSA-N -1 3 392.489 0.583 20 0 GCADHM Cc1onc(CC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826344884 948014818 /nfs/dbraw/zinc/01/48/18/948014818.db2.gz VPTFBDBGZGINBB-MBNYWOFBSA-N -1 3 389.460 0.806 20 0 GCADHM Cc1onc(CC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826344884 948014828 /nfs/dbraw/zinc/01/48/28/948014828.db2.gz VPTFBDBGZGINBB-MBNYWOFBSA-N -1 3 389.460 0.806 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573404124 948014974 /nfs/dbraw/zinc/01/49/74/948014974.db2.gz QBVBGYVHIFAVPY-QWHCGFSZSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573404124 948014980 /nfs/dbraw/zinc/01/49/80/948014980.db2.gz QBVBGYVHIFAVPY-QWHCGFSZSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573404206 948018406 /nfs/dbraw/zinc/01/84/06/948018406.db2.gz AKLVSONAQPMCLX-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573404206 948018414 /nfs/dbraw/zinc/01/84/14/948018414.db2.gz AKLVSONAQPMCLX-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)[C@@H]1C ZINC001573404354 948022989 /nfs/dbraw/zinc/02/29/89/948022989.db2.gz SIOLFWZRKPKXOG-ZYHUDNBSSA-N -1 3 392.489 0.583 20 0 GCADHM C[C@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573662039 948023195 /nfs/dbraw/zinc/02/31/95/948023195.db2.gz BAGWOSAQXNMODL-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573662039 948023204 /nfs/dbraw/zinc/02/32/04/948023204.db2.gz BAGWOSAQXNMODL-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404446 948024169 /nfs/dbraw/zinc/02/41/69/948024169.db2.gz FHYNNMVFCFYNOJ-GFCCVEGCSA-N -1 3 392.489 0.443 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573405141 948038222 /nfs/dbraw/zinc/03/82/22/948038222.db2.gz YWGQKDHWNZVUNF-HIFRSBDPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573405141 948038227 /nfs/dbraw/zinc/03/82/27/948038227.db2.gz YWGQKDHWNZVUNF-HIFRSBDPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573405206 948039116 /nfs/dbraw/zinc/03/91/16/948039116.db2.gz MXQHIAVUJUCNFG-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573405206 948039124 /nfs/dbraw/zinc/03/91/24/948039124.db2.gz MXQHIAVUJUCNFG-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573663757 948041816 /nfs/dbraw/zinc/04/18/16/948041816.db2.gz PJOQXRGRSLOFMV-HIFPTAJRSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573663757 948041825 /nfs/dbraw/zinc/04/18/25/948041825.db2.gz PJOQXRGRSLOFMV-HIFPTAJRSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573664129 948048223 /nfs/dbraw/zinc/04/82/23/948048223.db2.gz CCWCJRBPWXMZNU-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573664129 948048234 /nfs/dbraw/zinc/04/82/34/948048234.db2.gz CCWCJRBPWXMZNU-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573664327 948050979 /nfs/dbraw/zinc/05/09/79/948050979.db2.gz TWABDMOPOZJJFM-IINYFYTJSA-N -1 3 386.460 0.302 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573664878 948061313 /nfs/dbraw/zinc/06/13/13/948061313.db2.gz YSRCRDFSXXHYTP-HIFPTAJRSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573664878 948061321 /nfs/dbraw/zinc/06/13/21/948061321.db2.gz YSRCRDFSXXHYTP-HIFPTAJRSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccc1 ZINC001573664850 948062107 /nfs/dbraw/zinc/06/21/07/948062107.db2.gz HCGMQUGEUUGDPO-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccc1 ZINC001573664850 948062118 /nfs/dbraw/zinc/06/21/18/948062118.db2.gz HCGMQUGEUUGDPO-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM Cc1onc(CC(=O)NCc2cccnc2N2CCN(C)CC2)c1-c1nnn[n-]1 ZINC000826347994 948063125 /nfs/dbraw/zinc/06/31/25/948063125.db2.gz OXAAAGHVYKUWJR-UHFFFAOYSA-N -1 3 397.443 0.169 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCO1 ZINC001573665056 948067660 /nfs/dbraw/zinc/06/76/60/948067660.db2.gz IBOABGWHBMBEOZ-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCO1 ZINC001573665056 948067667 /nfs/dbraw/zinc/06/76/67/948067667.db2.gz IBOABGWHBMBEOZ-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573408843 948069523 /nfs/dbraw/zinc/06/95/23/948069523.db2.gz NMLXGRNAAREPSS-NSHDSACASA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573408843 948069533 /nfs/dbraw/zinc/06/95/33/948069533.db2.gz NMLXGRNAAREPSS-NSHDSACASA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001573408686 948069942 /nfs/dbraw/zinc/06/99/42/948069942.db2.gz LCGDDUXILLZUMR-UGSOOPFHSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001573408686 948069953 /nfs/dbraw/zinc/06/99/53/948069953.db2.gz LCGDDUXILLZUMR-UGSOOPFHSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573665441 948073269 /nfs/dbraw/zinc/07/32/69/948073269.db2.gz KURNOODIMRIBIR-YPMHNXCESA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573665441 948073279 /nfs/dbraw/zinc/07/32/79/948073279.db2.gz KURNOODIMRIBIR-YPMHNXCESA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573409700 948073732 /nfs/dbraw/zinc/07/37/32/948073732.db2.gz VMUZACABSDYTIZ-GHMZBOCLSA-N -1 3 390.448 0.076 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573409700 948073744 /nfs/dbraw/zinc/07/37/44/948073744.db2.gz VMUZACABSDYTIZ-GHMZBOCLSA-N -1 3 390.448 0.076 20 0 GCADHM CC(=O)N(C)CCCC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573409462 948075440 /nfs/dbraw/zinc/07/54/40/948075440.db2.gz RZGKRGKROUBNRC-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CCCC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573409462 948075450 /nfs/dbraw/zinc/07/54/50/948075450.db2.gz RZGKRGKROUBNRC-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573409854 948077291 /nfs/dbraw/zinc/07/72/91/948077291.db2.gz XIRKAEPPENGIKR-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573409854 948077300 /nfs/dbraw/zinc/07/73/00/948077300.db2.gz XIRKAEPPENGIKR-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573666226 948085646 /nfs/dbraw/zinc/08/56/46/948085646.db2.gz RGBIFSKPVFJUAP-STQMWFEESA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573666226 948085655 /nfs/dbraw/zinc/08/56/55/948085655.db2.gz RGBIFSKPVFJUAP-STQMWFEESA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573666259 948085736 /nfs/dbraw/zinc/08/57/36/948085736.db2.gz RQUIMMSSUUSUDX-SMDDNHRTSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573666259 948085741 /nfs/dbraw/zinc/08/57/41/948085741.db2.gz RQUIMMSSUUSUDX-SMDDNHRTSA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573414012 948087546 /nfs/dbraw/zinc/08/75/46/948087546.db2.gz IMSLGJYEZTVTPR-OAHLLOKOSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573414012 948087555 /nfs/dbraw/zinc/08/75/55/948087555.db2.gz IMSLGJYEZTVTPR-OAHLLOKOSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@H](C(=O)NC1CCCCC1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573666591 948088146 /nfs/dbraw/zinc/08/81/46/948088146.db2.gz UGKLIKGCXOYZKX-GFCCVEGCSA-N -1 3 388.476 0.694 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)[C@H](C)C2)C1 ZINC001573414400 948093302 /nfs/dbraw/zinc/09/33/02/948093302.db2.gz LPIILSNVMYTJFJ-IAQYHMDHSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)[C@H](C)C2)C1 ZINC001573414400 948093311 /nfs/dbraw/zinc/09/33/11/948093311.db2.gz LPIILSNVMYTJFJ-IAQYHMDHSA-N -1 3 384.444 0.389 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001573667480 948099101 /nfs/dbraw/zinc/09/91/01/948099101.db2.gz ZZAJYZPROFUSHO-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001573667480 948099110 /nfs/dbraw/zinc/09/91/10/948099110.db2.gz ZZAJYZPROFUSHO-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573414803 948099450 /nfs/dbraw/zinc/09/94/50/948099450.db2.gz PINOXJTUOYXBJG-HNNXBMFYSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573414803 948099456 /nfs/dbraw/zinc/09/94/56/948099456.db2.gz PINOXJTUOYXBJG-HNNXBMFYSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573414826 948100401 /nfs/dbraw/zinc/10/04/01/948100401.db2.gz QFXYJEKPGAZYKG-RISCZKNCSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573414826 948100406 /nfs/dbraw/zinc/10/04/06/948100406.db2.gz QFXYJEKPGAZYKG-RISCZKNCSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@](C)(CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573415143 948101505 /nfs/dbraw/zinc/10/15/05/948101505.db2.gz UICLTGALFHNALC-GOSISDBHSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@](C)(CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573415143 948101509 /nfs/dbraw/zinc/10/15/09/948101509.db2.gz UICLTGALFHNALC-GOSISDBHSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)C1 ZINC001573415206 948103362 /nfs/dbraw/zinc/10/33/62/948103362.db2.gz WUNDDTAPMWMVSS-UHFFFAOYSA-N -1 3 384.444 0.087 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)C1 ZINC001573415206 948103368 /nfs/dbraw/zinc/10/33/68/948103368.db2.gz WUNDDTAPMWMVSS-UHFFFAOYSA-N -1 3 384.444 0.087 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)c1cnn(C)c1 ZINC001573670758 948106524 /nfs/dbraw/zinc/10/65/24/948106524.db2.gz DEJWQCLCBUFPHE-LBPRGKRZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)c1cnn(C)c1 ZINC001573670758 948106529 /nfs/dbraw/zinc/10/65/29/948106529.db2.gz DEJWQCLCBUFPHE-LBPRGKRZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573672118 948107507 /nfs/dbraw/zinc/10/75/07/948107507.db2.gz GTGSVSOWKPJFNW-UWVGGRQHSA-N -1 3 384.487 0.052 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)C1 ZINC001573415650 948112418 /nfs/dbraw/zinc/11/24/18/948112418.db2.gz ZSPGHDGYASUFIN-UHFFFAOYSA-N -1 3 387.419 0.127 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001573415650 948112423 /nfs/dbraw/zinc/11/24/23/948112423.db2.gz ZSPGHDGYASUFIN-UHFFFAOYSA-N -1 3 387.419 0.127 20 0 GCADHM C[C@H](C(=O)NC1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC001573673383 948113127 /nfs/dbraw/zinc/11/31/27/948113127.db2.gz KVAYUQCOWZFVCO-GFCCVEGCSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573418225 948116283 /nfs/dbraw/zinc/11/62/83/948116283.db2.gz FKVIYBRZBOSMPQ-JTQLQIEISA-N -1 3 375.408 0.425 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573418225 948116286 /nfs/dbraw/zinc/11/62/86/948116286.db2.gz FKVIYBRZBOSMPQ-JTQLQIEISA-N -1 3 375.408 0.425 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)[C@H](C)C2)C1 ZINC001573418565 948117074 /nfs/dbraw/zinc/11/70/74/948117074.db2.gz HALHOFBKGLILID-BXUZGUMPSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)[C@H](C)C2)C1 ZINC001573418565 948117080 /nfs/dbraw/zinc/11/70/80/948117080.db2.gz HALHOFBKGLILID-BXUZGUMPSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573418282 948117921 /nfs/dbraw/zinc/11/79/21/948117921.db2.gz FUKLVWGYMFQOKU-YUMQZZPRSA-N -1 3 378.462 0.415 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001573676152 948124807 /nfs/dbraw/zinc/12/48/07/948124807.db2.gz RWRNZWVRVOUYNZ-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001573676152 948124814 /nfs/dbraw/zinc/12/48/14/948124814.db2.gz RWRNZWVRVOUYNZ-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CC2(C)C)C1 ZINC001573419820 948128584 /nfs/dbraw/zinc/12/85/84/948128584.db2.gz SXEIWFGQHVTJLJ-CQSZACIVSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CC2(C)C)C1 ZINC001573419820 948128590 /nfs/dbraw/zinc/12/85/90/948128590.db2.gz SXEIWFGQHVTJLJ-CQSZACIVSA-N -1 3 384.444 0.071 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573676793 948129445 /nfs/dbraw/zinc/12/94/45/948129445.db2.gz ABPIZNKMFSELRC-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573676793 948129452 /nfs/dbraw/zinc/12/94/52/948129452.db2.gz ABPIZNKMFSELRC-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM Cn1cc(CNC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000826361310 948130001 /nfs/dbraw/zinc/13/00/01/948130001.db2.gz SHPHJADQOQLGKN-UHFFFAOYSA-N -1 3 382.432 0.023 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573420975 948136266 /nfs/dbraw/zinc/13/62/66/948136266.db2.gz ATUTYCZBXOKZPI-ZDUSSCGKSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573420975 948136272 /nfs/dbraw/zinc/13/62/72/948136272.db2.gz ATUTYCZBXOKZPI-ZDUSSCGKSA-N -1 3 384.444 0.073 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826363192 948138653 /nfs/dbraw/zinc/13/86/53/948138653.db2.gz BWOZPNGMHKJTJN-UHFFFAOYSA-N -1 3 378.396 0.855 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826363192 948138657 /nfs/dbraw/zinc/13/86/57/948138657.db2.gz BWOZPNGMHKJTJN-UHFFFAOYSA-N -1 3 378.396 0.855 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573421518 948139758 /nfs/dbraw/zinc/13/97/58/948139758.db2.gz GSRPDJSQRCJZBS-HNNXBMFYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573421518 948139765 /nfs/dbraw/zinc/13/97/65/948139765.db2.gz GSRPDJSQRCJZBS-HNNXBMFYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573421651 948140417 /nfs/dbraw/zinc/14/04/17/948140417.db2.gz HNCKJCLHJLQGMP-NSHDSACASA-N -1 3 390.473 0.052 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573424247 948147460 /nfs/dbraw/zinc/14/74/60/948147460.db2.gz VKZQKJOOQQWRAP-QMMMGPOBSA-N -1 3 378.824 0.310 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573424247 948147463 /nfs/dbraw/zinc/14/74/63/948147463.db2.gz VKZQKJOOQQWRAP-QMMMGPOBSA-N -1 3 378.824 0.310 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C2CC2)C1 ZINC001573424377 948149633 /nfs/dbraw/zinc/14/96/33/948149633.db2.gz ZCAKXRYTMKWCKT-OAHLLOKOSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C2CC2)C1 ZINC001573424377 948149636 /nfs/dbraw/zinc/14/96/36/948149636.db2.gz ZCAKXRYTMKWCKT-OAHLLOKOSA-N -1 3 384.444 0.355 20 0 GCADHM C[C@H](C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccn1 ZINC001573678418 948151375 /nfs/dbraw/zinc/15/13/75/948151375.db2.gz DRDNMNUUEOYDOS-YGRLFVJLSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccn1 ZINC001573678418 948151381 /nfs/dbraw/zinc/15/13/81/948151381.db2.gz DRDNMNUUEOYDOS-YGRLFVJLSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573679156 948158291 /nfs/dbraw/zinc/15/82/91/948158291.db2.gz JIBKUEIHSGJYFI-ZWNOBZJWSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573679156 948158297 /nfs/dbraw/zinc/15/82/97/948158297.db2.gz JIBKUEIHSGJYFI-ZWNOBZJWSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573679155 948158595 /nfs/dbraw/zinc/15/85/95/948158595.db2.gz JIBKUEIHSGJYFI-MFKMUULPSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573679155 948158602 /nfs/dbraw/zinc/15/86/02/948158602.db2.gz JIBKUEIHSGJYFI-MFKMUULPSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001573427240 948163132 /nfs/dbraw/zinc/16/31/32/948163132.db2.gz VSRSJYYPEIGXBM-LBPRGKRZSA-N -1 3 390.835 0.088 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001573427240 948163138 /nfs/dbraw/zinc/16/31/38/948163138.db2.gz VSRSJYYPEIGXBM-LBPRGKRZSA-N -1 3 390.835 0.088 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001573427239 948164022 /nfs/dbraw/zinc/16/40/22/948164022.db2.gz VSRSJYYPEIGXBM-GFCCVEGCSA-N -1 3 390.835 0.088 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001573427239 948164026 /nfs/dbraw/zinc/16/40/26/948164026.db2.gz VSRSJYYPEIGXBM-GFCCVEGCSA-N -1 3 390.835 0.088 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573428982 948168403 /nfs/dbraw/zinc/16/84/03/948168403.db2.gz FOULBQZCUHKHQX-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573428982 948168408 /nfs/dbraw/zinc/16/84/08/948168408.db2.gz FOULBQZCUHKHQX-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CN(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573429358 948169920 /nfs/dbraw/zinc/16/99/20/948169920.db2.gz HJACWITZWQXYSD-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CN(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573429358 948169926 /nfs/dbraw/zinc/16/99/26/948169926.db2.gz HJACWITZWQXYSD-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573429383 948171268 /nfs/dbraw/zinc/17/12/68/948171268.db2.gz HYOOVHWVJDKLQB-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573429383 948171271 /nfs/dbraw/zinc/17/12/71/948171271.db2.gz HYOOVHWVJDKLQB-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573429381 948171360 /nfs/dbraw/zinc/17/13/60/948171360.db2.gz HYOOVHWVJDKLQB-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573429381 948171364 /nfs/dbraw/zinc/17/13/64/948171364.db2.gz HYOOVHWVJDKLQB-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573429396 948171388 /nfs/dbraw/zinc/17/13/88/948171388.db2.gz IBUINZANZRNLNU-RYUDHWBXSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573429396 948171393 /nfs/dbraw/zinc/17/13/93/948171393.db2.gz IBUINZANZRNLNU-RYUDHWBXSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC1 ZINC001573430094 948175029 /nfs/dbraw/zinc/17/50/29/948175029.db2.gz NSGBZFMTDUKHRR-UHFFFAOYSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC1 ZINC001573430094 948175032 /nfs/dbraw/zinc/17/50/32/948175032.db2.gz NSGBZFMTDUKHRR-UHFFFAOYSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573430053 948175160 /nfs/dbraw/zinc/17/51/60/948175160.db2.gz MDJWRXXICGYOSJ-GFCCVEGCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573430053 948175164 /nfs/dbraw/zinc/17/51/64/948175164.db2.gz MDJWRXXICGYOSJ-GFCCVEGCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001573430533 948176235 /nfs/dbraw/zinc/17/62/35/948176235.db2.gz QCDMWHMSDQRSKO-HNNXBMFYSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001573430533 948176239 /nfs/dbraw/zinc/17/62/39/948176239.db2.gz QCDMWHMSDQRSKO-HNNXBMFYSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573680395 948179009 /nfs/dbraw/zinc/17/90/09/948179009.db2.gz NRRYPFOQIVAHLQ-ZYHUDNBSSA-N -1 3 388.407 0.432 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573680395 948179012 /nfs/dbraw/zinc/17/90/12/948179012.db2.gz NRRYPFOQIVAHLQ-ZYHUDNBSSA-N -1 3 388.407 0.432 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432417 948186972 /nfs/dbraw/zinc/18/69/72/948186972.db2.gz FKUNBYNFLCGZQE-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432417 948186979 /nfs/dbraw/zinc/18/69/79/948186979.db2.gz FKUNBYNFLCGZQE-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573680977 948191811 /nfs/dbraw/zinc/19/18/11/948191811.db2.gz UBAJRARAOIGPKZ-BONVTDFDSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573680977 948191818 /nfs/dbraw/zinc/19/18/18/948191818.db2.gz UBAJRARAOIGPKZ-BONVTDFDSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC001573681057 948193537 /nfs/dbraw/zinc/19/35/37/948193537.db2.gz SCCUTOBBBXMUOF-ONGXEEELSA-N -1 3 375.364 0.687 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC001573681057 948193541 /nfs/dbraw/zinc/19/35/41/948193541.db2.gz SCCUTOBBBXMUOF-ONGXEEELSA-N -1 3 375.364 0.687 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432935 948195391 /nfs/dbraw/zinc/19/53/91/948195391.db2.gz ITWXWTXTCLNCJY-SFHVURJKSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432935 948195396 /nfs/dbraw/zinc/19/53/96/948195396.db2.gz ITWXWTXTCLNCJY-SFHVURJKSA-N -1 3 386.460 0.415 20 0 GCADHM NC(=O)CCNC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826391620 948198786 /nfs/dbraw/zinc/19/87/86/948198786.db2.gz UCCYDQMNUYGCQX-UHFFFAOYSA-N -1 3 375.780 0.703 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573681312 948201078 /nfs/dbraw/zinc/20/10/78/948201078.db2.gz VTJUCARPNSLWRU-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573681312 948201086 /nfs/dbraw/zinc/20/10/86/948201086.db2.gz VTJUCARPNSLWRU-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573433607 948203196 /nfs/dbraw/zinc/20/31/96/948203196.db2.gz MVEBFHHYQPWJCM-KZULUSFZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573433607 948203201 /nfs/dbraw/zinc/20/32/01/948203201.db2.gz MVEBFHHYQPWJCM-KZULUSFZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573434168 948209691 /nfs/dbraw/zinc/20/96/91/948209691.db2.gz OOZATDFHHMHIEU-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573434168 948209699 /nfs/dbraw/zinc/20/96/99/948209699.db2.gz OOZATDFHHMHIEU-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)c1cccnc1 ZINC001573681749 948213303 /nfs/dbraw/zinc/21/33/03/948213303.db2.gz XKEMZVCIXOTLRB-ZWNOBZJWSA-N -1 3 386.391 0.489 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)c1cccnc1 ZINC001573681749 948213313 /nfs/dbraw/zinc/21/33/13/948213313.db2.gz XKEMZVCIXOTLRB-ZWNOBZJWSA-N -1 3 386.391 0.489 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573434926 948222490 /nfs/dbraw/zinc/22/24/90/948222490.db2.gz SMZIYBWTDJAFEM-KZULUSFZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573434926 948222499 /nfs/dbraw/zinc/22/24/99/948222499.db2.gz SMZIYBWTDJAFEM-KZULUSFZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573435293 948227633 /nfs/dbraw/zinc/22/76/33/948227633.db2.gz VJEQBIKIBHZFMA-SCLBCKFNSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573435293 948227643 /nfs/dbraw/zinc/22/76/43/948227643.db2.gz VJEQBIKIBHZFMA-SCLBCKFNSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573435391 948228785 /nfs/dbraw/zinc/22/87/85/948228785.db2.gz WNHNFHCBYNSSKF-KRWDZBQOSA-N -1 3 389.485 0.487 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573435465 948229870 /nfs/dbraw/zinc/22/98/70/948229870.db2.gz WZZKTQGAZUIEBP-SFHVURJKSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573435465 948229875 /nfs/dbraw/zinc/22/98/75/948229875.db2.gz WZZKTQGAZUIEBP-SFHVURJKSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573435514 948230342 /nfs/dbraw/zinc/23/03/42/948230342.db2.gz XWPNRKIHFPXHJT-QGZVFWFLSA-N -1 3 391.501 0.735 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573435464 948230784 /nfs/dbraw/zinc/23/07/84/948230784.db2.gz WZZKTQGAZUIEBP-GOSISDBHSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573435464 948230790 /nfs/dbraw/zinc/23/07/90/948230790.db2.gz WZZKTQGAZUIEBP-GOSISDBHSA-N -1 3 389.435 0.817 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573690795 948230851 /nfs/dbraw/zinc/23/08/51/948230851.db2.gz FPKQIWNOYBCROO-SMDDNHRTSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573690795 948230860 /nfs/dbraw/zinc/23/08/60/948230860.db2.gz FPKQIWNOYBCROO-SMDDNHRTSA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573435687 948231968 /nfs/dbraw/zinc/23/19/68/948231968.db2.gz ZJLKVCXALFXCCV-SCLBCKFNSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573435687 948231977 /nfs/dbraw/zinc/23/19/77/948231977.db2.gz ZJLKVCXALFXCCV-SCLBCKFNSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573435669 948232060 /nfs/dbraw/zinc/23/20/60/948232060.db2.gz ZAEAVYANRLVHPP-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573435669 948232068 /nfs/dbraw/zinc/23/20/68/948232068.db2.gz ZAEAVYANRLVHPP-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC([C@@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)CC1 ZINC001573435695 948233185 /nfs/dbraw/zinc/23/31/85/948233185.db2.gz ZNMCUXNMTXYHPO-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC([C@@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)CC1 ZINC001573435695 948233194 /nfs/dbraw/zinc/23/31/94/948233194.db2.gz ZNMCUXNMTXYHPO-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573438413 948235894 /nfs/dbraw/zinc/23/58/94/948235894.db2.gz ACXUTQYDROUYBZ-SWLSCSKDSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573438413 948235903 /nfs/dbraw/zinc/23/59/03/948235903.db2.gz ACXUTQYDROUYBZ-SWLSCSKDSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573438615 948236928 /nfs/dbraw/zinc/23/69/28/948236928.db2.gz DCDDHRLILMPXDG-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573438615 948236935 /nfs/dbraw/zinc/23/69/35/948236935.db2.gz DCDDHRLILMPXDG-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573438581 948237048 /nfs/dbraw/zinc/23/70/48/948237048.db2.gz CHWKIODXATYRHB-OCCSQVGLSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573438581 948237056 /nfs/dbraw/zinc/23/70/56/948237056.db2.gz CHWKIODXATYRHB-OCCSQVGLSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573691172 948237322 /nfs/dbraw/zinc/23/73/22/948237322.db2.gz DHMUKHNAWCMQFA-VIFPVBQESA-N -1 3 382.421 0.500 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573691172 948237332 /nfs/dbraw/zinc/23/73/32/948237332.db2.gz DHMUKHNAWCMQFA-VIFPVBQESA-N -1 3 382.421 0.500 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573438616 948238070 /nfs/dbraw/zinc/23/80/70/948238070.db2.gz DCDDHRLILMPXDG-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573438616 948238078 /nfs/dbraw/zinc/23/80/78/948238078.db2.gz DCDDHRLILMPXDG-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573438557 948238380 /nfs/dbraw/zinc/23/83/80/948238380.db2.gz BPWFTKLZXVBXLK-CABCVRRESA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573438557 948238389 /nfs/dbraw/zinc/23/83/89/948238389.db2.gz BPWFTKLZXVBXLK-CABCVRRESA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573691213 948238416 /nfs/dbraw/zinc/23/84/16/948238416.db2.gz IJAKPUDSBNTFDX-PWSUYJOCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573691213 948238425 /nfs/dbraw/zinc/23/84/25/948238425.db2.gz IJAKPUDSBNTFDX-PWSUYJOCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cnn(C)c1 ZINC001573691182 948239461 /nfs/dbraw/zinc/23/94/61/948239461.db2.gz IAHSXWCCVOTSNK-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cnn(C)c1 ZINC001573691182 948239471 /nfs/dbraw/zinc/23/94/71/948239471.db2.gz IAHSXWCCVOTSNK-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccs1 ZINC001573691738 948245976 /nfs/dbraw/zinc/24/59/76/948245976.db2.gz JQVDOFTVPMQBJG-GXSJLCMTSA-N -1 3 389.441 0.267 20 0 GCADHM 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ZINC001573439688 948248239 /nfs/dbraw/zinc/24/82/39/948248239.db2.gz PFODEZULSSUHSG-HNNXBMFYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CC[C@H](OCC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573439688 948248247 /nfs/dbraw/zinc/24/82/47/948248247.db2.gz PFODEZULSSUHSG-HNNXBMFYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573439801 948254187 /nfs/dbraw/zinc/25/41/87/948254187.db2.gz SNDUUWVXJVNBCS-GXTWGEPZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573439801 948254194 /nfs/dbraw/zinc/25/41/94/948254194.db2.gz SNDUUWVXJVNBCS-GXTWGEPZSA-N -1 3 386.460 0.827 20 0 GCADHM O=C(CS(=O)(=O)c1ccc(CO)cc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826419825 948263200 /nfs/dbraw/zinc/26/32/00/948263200.db2.gz NNRYXOYHEVKMDI-UHFFFAOYSA-N -1 3 387.421 0.449 20 0 GCADHM O=C(CS(=O)(=O)c1ccc(CO)cc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826419825 948263209 /nfs/dbraw/zinc/26/32/09/948263209.db2.gz NNRYXOYHEVKMDI-UHFFFAOYSA-N -1 3 387.421 0.449 20 0 GCADHM O=C(CSc1nnc2ccccn21)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826421592 948267015 /nfs/dbraw/zinc/26/70/15/948267015.db2.gz PHQFGYFHRZYGTP-UHFFFAOYSA-N -1 3 396.440 0.625 20 0 GCADHM O=C(CSc1nnc2ccccn21)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826421592 948267023 /nfs/dbraw/zinc/26/70/23/948267023.db2.gz PHQFGYFHRZYGTP-UHFFFAOYSA-N -1 3 396.440 0.625 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573692594 948269976 /nfs/dbraw/zinc/26/99/76/948269976.db2.gz PZAXMCATFZVKDJ-WCBMZHEXSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573692594 948269983 /nfs/dbraw/zinc/26/99/83/948269983.db2.gz PZAXMCATFZVKDJ-WCBMZHEXSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C1CC1 ZINC001573693822 948289692 /nfs/dbraw/zinc/28/96/92/948289692.db2.gz UJHCSVAGPNZDHC-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C1CC1 ZINC001573693822 948289704 /nfs/dbraw/zinc/28/97/04/948289704.db2.gz UJHCSVAGPNZDHC-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)N1CCC[C@@H](N2CCN(Cc3ccccc3-c3nnn[n-]3)CC2=O)C1 ZINC001573442299 948290833 /nfs/dbraw/zinc/29/08/33/948290833.db2.gz GSIXCIFPGCKCCB-MRXNPFEDSA-N -1 3 383.456 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H](N2CCN(Cc3ccccc3-c3nn[n-]n3)CC2=O)C1 ZINC001573442299 948290839 /nfs/dbraw/zinc/29/08/39/948290839.db2.gz GSIXCIFPGCKCCB-MRXNPFEDSA-N -1 3 383.456 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H](n2cc(CNc3nc(C)ccc3-c3nnn[n-]3)nn2)C1 ZINC001573442473 948293107 /nfs/dbraw/zinc/29/31/07/948293107.db2.gz WKNCOBIKRUIKQG-CQSZACIVSA-N -1 3 382.432 0.957 20 0 GCADHM CC(=O)N1CCC[C@@H](n2cc(CNc3nc(C)ccc3-c3nn[n-]n3)nn2)C1 ZINC001573442473 948293117 /nfs/dbraw/zinc/29/31/17/948293117.db2.gz WKNCOBIKRUIKQG-CQSZACIVSA-N -1 3 382.432 0.957 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1cccc2c1OCO2 ZINC000826438334 948295862 /nfs/dbraw/zinc/29/58/62/948295862.db2.gz YJXREDUKOPBYGT-UHFFFAOYSA-N -1 3 396.367 0.157 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1cccc2c1OCO2 ZINC000826438334 948295873 /nfs/dbraw/zinc/29/58/73/948295873.db2.gz YJXREDUKOPBYGT-UHFFFAOYSA-N -1 3 396.367 0.157 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)C1CCOCC1 ZINC000826438597 948296444 /nfs/dbraw/zinc/29/64/44/948296444.db2.gz JJUKEQCSSTUGJR-OAHLLOKOSA-N -1 3 376.417 0.332 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573442983 948302716 /nfs/dbraw/zinc/30/27/16/948302716.db2.gz LCIZAYFOUIWYMA-PWSUYJOCSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573442983 948302723 /nfs/dbraw/zinc/30/27/23/948302723.db2.gz LCIZAYFOUIWYMA-PWSUYJOCSA-N -1 3 390.423 0.576 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cccc2c1OCO2 ZINC000826441697 948302971 /nfs/dbraw/zinc/30/29/71/948302971.db2.gz PTGKPSWJENDWHH-UHFFFAOYSA-N -1 3 384.327 0.989 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cccc2c1OCO2 ZINC000826441697 948302980 /nfs/dbraw/zinc/30/29/80/948302980.db2.gz PTGKPSWJENDWHH-UHFFFAOYSA-N -1 3 384.327 0.989 20 0 GCADHM C[C@@H](C(=O)NCC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573695220 948303328 /nfs/dbraw/zinc/30/33/28/948303328.db2.gz FJFSWWKDHQHBOJ-DCBWTQNWSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NCC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573695220 948303336 /nfs/dbraw/zinc/30/33/36/948303336.db2.gz FJFSWWKDHQHBOJ-DCBWTQNWSA-N -1 3 382.428 0.882 20 0 GCADHM O=C(NCc1cn(-c2ccccc2)nn1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443590 948305929 /nfs/dbraw/zinc/30/59/29/948305929.db2.gz WKZWWHJJNUOAHH-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1cn(-c2ccccc2)nn1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443590 948305934 /nfs/dbraw/zinc/30/59/34/948305934.db2.gz WKZWWHJJNUOAHH-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573443813 948307450 /nfs/dbraw/zinc/30/74/50/948307450.db2.gz PROVWDZBBXPFKF-SKDRFNHKSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573443777 948307890 /nfs/dbraw/zinc/30/78/90/948307890.db2.gz OTVSWFDMXCUYSM-FZMZJTMJSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573443777 948307894 /nfs/dbraw/zinc/30/78/94/948307894.db2.gz OTVSWFDMXCUYSM-FZMZJTMJSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cccc1 ZINC001573695816 948310810 /nfs/dbraw/zinc/31/08/10/948310810.db2.gz IXLXFKGYVCWBOF-ACJLOTCBSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cccc1 ZINC001573695816 948310820 /nfs/dbraw/zinc/31/08/20/948310820.db2.gz IXLXFKGYVCWBOF-ACJLOTCBSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cccc1 ZINC001573695819 948310895 /nfs/dbraw/zinc/31/08/95/948310895.db2.gz IXLXFKGYVCWBOF-UGSOOPFHSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cccc1 ZINC001573695819 948310902 /nfs/dbraw/zinc/31/09/02/948310902.db2.gz IXLXFKGYVCWBOF-UGSOOPFHSA-N -1 3 382.428 0.382 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573443873 948311167 /nfs/dbraw/zinc/31/11/67/948311167.db2.gz QACYADLUVXGHCF-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573443873 948311178 /nfs/dbraw/zinc/31/11/78/948311178.db2.gz QACYADLUVXGHCF-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573695831 948311806 /nfs/dbraw/zinc/31/18/06/948311806.db2.gz IYYALROXOCNXSG-YMTOWFKASA-N -1 3 385.350 0.518 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573695831 948311814 /nfs/dbraw/zinc/31/18/14/948311814.db2.gz IYYALROXOCNXSG-YMTOWFKASA-N -1 3 385.350 0.518 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1)n1cccn1 ZINC001573695960 948313750 /nfs/dbraw/zinc/31/37/50/948313750.db2.gz ZBZDBZKUSHCPRH-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1)n1cccn1 ZINC001573695960 948313764 /nfs/dbraw/zinc/31/37/64/948313764.db2.gz ZBZDBZKUSHCPRH-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573695971 948313891 /nfs/dbraw/zinc/31/38/91/948313891.db2.gz ZDHCNDOBRYJRRW-ZYHUDNBSSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573695971 948313898 /nfs/dbraw/zinc/31/38/98/948313898.db2.gz ZDHCNDOBRYJRRW-ZYHUDNBSSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573695978 948313926 /nfs/dbraw/zinc/31/39/26/948313926.db2.gz JXSZCXKDQGYBHE-XSRFYTQQSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573695978 948313934 /nfs/dbraw/zinc/31/39/34/948313934.db2.gz JXSZCXKDQGYBHE-XSRFYTQQSA-N -1 3 383.416 0.277 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573444829 948316936 /nfs/dbraw/zinc/31/69/36/948316936.db2.gz WFLBKFVZEBUJNA-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573444829 948316944 /nfs/dbraw/zinc/31/69/44/948316944.db2.gz WFLBKFVZEBUJNA-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573444823 948318343 /nfs/dbraw/zinc/31/83/43/948318343.db2.gz WFLBKFVZEBUJNA-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573444823 948318351 /nfs/dbraw/zinc/31/83/51/948318351.db2.gz WFLBKFVZEBUJNA-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826451247 948318963 /nfs/dbraw/zinc/31/89/63/948318963.db2.gz XMEXPEUKXOUAKM-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826451247 948318969 /nfs/dbraw/zinc/31/89/69/948318969.db2.gz XMEXPEUKXOUAKM-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573696223 948320613 /nfs/dbraw/zinc/32/06/13/948320613.db2.gz MGJRDLCRMZDLIZ-NSHDSACASA-N -1 3 388.457 0.049 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)C(F)(F)F ZINC001573696345 948322914 /nfs/dbraw/zinc/32/29/14/948322914.db2.gz OGBDJJCENMSGDC-SNVBAGLBSA-N -1 3 384.362 0.728 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)C(F)(F)F ZINC001573696345 948322924 /nfs/dbraw/zinc/32/29/24/948322924.db2.gz OGBDJJCENMSGDC-SNVBAGLBSA-N -1 3 384.362 0.728 20 0 GCADHM C[C@H](C(=O)NCC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573696328 948323044 /nfs/dbraw/zinc/32/30/44/948323044.db2.gz OACSLVJWUOMKRW-XSRFYTQQSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NCC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573696328 948323056 /nfs/dbraw/zinc/32/30/56/948323056.db2.gz OACSLVJWUOMKRW-XSRFYTQQSA-N -1 3 383.416 0.277 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573446197 948324982 /nfs/dbraw/zinc/32/49/82/948324982.db2.gz AJSHXVDYKLFVGT-CQSZACIVSA-N -1 3 389.485 0.582 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573696529 948328628 /nfs/dbraw/zinc/32/86/28/948328628.db2.gz RSXQTDOFHDEBDB-FZKQIMNGSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573696529 948328636 /nfs/dbraw/zinc/32/86/36/948328636.db2.gz RSXQTDOFHDEBDB-FZKQIMNGSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)C(C)(F)F ZINC001573696568 948329107 /nfs/dbraw/zinc/32/91/07/948329107.db2.gz SEFPYTMUPVAPGT-LLVKDONJSA-N -1 3 380.399 0.821 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)C(C)(F)F ZINC001573696568 948329116 /nfs/dbraw/zinc/32/91/16/948329116.db2.gz SEFPYTMUPVAPGT-LLVKDONJSA-N -1 3 380.399 0.821 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000826456580 948330547 /nfs/dbraw/zinc/33/05/47/948330547.db2.gz MOYIRHJNYISNIY-XJKSGUPXSA-N -1 3 392.441 0.725 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000826456580 948330553 /nfs/dbraw/zinc/33/05/53/948330553.db2.gz MOYIRHJNYISNIY-XJKSGUPXSA-N -1 3 392.441 0.725 20 0 GCADHM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573696708 948332233 /nfs/dbraw/zinc/33/22/33/948332233.db2.gz WDEJCIHZULFVQE-BMQDGWLCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573696708 948332240 /nfs/dbraw/zinc/33/22/40/948332240.db2.gz WDEJCIHZULFVQE-BMQDGWLCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573696731 948332253 /nfs/dbraw/zinc/33/22/53/948332253.db2.gz WOHCNJXBMCCWAT-SNVBAGLBSA-N -1 3 384.362 0.728 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573696731 948332256 /nfs/dbraw/zinc/33/22/56/948332256.db2.gz WOHCNJXBMCCWAT-SNVBAGLBSA-N -1 3 384.362 0.728 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573446610 948332825 /nfs/dbraw/zinc/33/28/25/948332825.db2.gz KJJUJNVQNMTVCA-MRXNPFEDSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573446610 948332831 /nfs/dbraw/zinc/33/28/31/948332831.db2.gz KJJUJNVQNMTVCA-MRXNPFEDSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573446874 948337798 /nfs/dbraw/zinc/33/77/98/948337798.db2.gz QGZWPOJLWLPMID-SSDMNJCBSA-N -1 3 384.444 0.674 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573446874 948337807 /nfs/dbraw/zinc/33/78/07/948337807.db2.gz QGZWPOJLWLPMID-SSDMNJCBSA-N -1 3 384.444 0.674 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573701413 948338281 /nfs/dbraw/zinc/33/82/81/948338281.db2.gz ABTKQCBRXBINKP-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573701413 948338288 /nfs/dbraw/zinc/33/82/88/948338288.db2.gz ABTKQCBRXBINKP-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573447110 948340235 /nfs/dbraw/zinc/34/02/35/948340235.db2.gz VOOKGBNHCOOLQO-IINYFYTJSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573447110 948340241 /nfs/dbraw/zinc/34/02/41/948340241.db2.gz VOOKGBNHCOOLQO-IINYFYTJSA-N -1 3 390.423 0.353 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573702007 948343535 /nfs/dbraw/zinc/34/35/35/948343535.db2.gz CJSLVENZUKHZCC-AAEUAGOBSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573702007 948343544 /nfs/dbraw/zinc/34/35/44/948343544.db2.gz CJSLVENZUKHZCC-AAEUAGOBSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573703371 948355799 /nfs/dbraw/zinc/35/57/99/948355799.db2.gz JTJMTROKXDBSDN-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573703371 948355804 /nfs/dbraw/zinc/35/58/04/948355804.db2.gz JTJMTROKXDBSDN-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573703785 948359212 /nfs/dbraw/zinc/35/92/12/948359212.db2.gz MNOKJEQYCZZDAM-TZMCWYRMSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573703785 948359221 /nfs/dbraw/zinc/35/92/21/948359221.db2.gz MNOKJEQYCZZDAM-TZMCWYRMSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573703780 948359778 /nfs/dbraw/zinc/35/97/78/948359778.db2.gz MNOKJEQYCZZDAM-GXTWGEPZSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573703780 948359788 /nfs/dbraw/zinc/35/97/88/948359788.db2.gz MNOKJEQYCZZDAM-GXTWGEPZSA-N -1 3 392.485 0.380 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000826471509 948369683 /nfs/dbraw/zinc/36/96/83/948369683.db2.gz BZRVHDIOBPYHAH-UHFFFAOYSA-N -1 3 390.469 0.202 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000826471509 948369690 /nfs/dbraw/zinc/36/96/90/948369690.db2.gz BZRVHDIOBPYHAH-UHFFFAOYSA-N -1 3 390.469 0.202 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573704297 948370526 /nfs/dbraw/zinc/37/05/26/948370526.db2.gz RFAQMDOFZICDON-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573704297 948370533 /nfs/dbraw/zinc/37/05/33/948370533.db2.gz RFAQMDOFZICDON-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573704374 948372520 /nfs/dbraw/zinc/37/25/20/948372520.db2.gz AYFGIMQKPITMQK-NWDGAFQWSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573704374 948372527 /nfs/dbraw/zinc/37/25/27/948372527.db2.gz AYFGIMQKPITMQK-NWDGAFQWSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573704436 948374113 /nfs/dbraw/zinc/37/41/13/948374113.db2.gz SHQYKDQVCACCFG-SWLSCSKDSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573704436 948374119 /nfs/dbraw/zinc/37/41/19/948374119.db2.gz SHQYKDQVCACCFG-SWLSCSKDSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573704699 948380230 /nfs/dbraw/zinc/38/02/30/948380230.db2.gz CMOTTZRHWVYPGW-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573704699 948380239 /nfs/dbraw/zinc/38/02/39/948380239.db2.gz CMOTTZRHWVYPGW-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM O=C1[C@@H]([N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CN1c1ccccc1 ZINC000826476152 948380565 /nfs/dbraw/zinc/38/05/65/948380565.db2.gz BQMHNOQATNGHET-HNNXBMFYSA-N -1 3 384.421 0.702 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573704814 948382270 /nfs/dbraw/zinc/38/22/70/948382270.db2.gz ATHJYAZNUVXFCI-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573704814 948382279 /nfs/dbraw/zinc/38/22/79/948382279.db2.gz ATHJYAZNUVXFCI-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM O=C1NC[C@H]2CN([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476400 948382381 /nfs/dbraw/zinc/38/23/81/948382381.db2.gz GUDDJCAKRVNNJZ-LSDHHAIUSA-N -1 3 382.428 0.072 20 0 GCADHM O=C1NC[C@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476400 948382387 /nfs/dbraw/zinc/38/23/87/948382387.db2.gz GUDDJCAKRVNNJZ-LSDHHAIUSA-N -1 3 382.428 0.072 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CN1c1ccccc1 ZINC000826476648 948382939 /nfs/dbraw/zinc/38/29/39/948382939.db2.gz LSLDKPYNTRXKQN-CQSZACIVSA-N -1 3 388.384 0.700 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CN1c1ccccc1 ZINC000826476648 948382944 /nfs/dbraw/zinc/38/29/44/948382944.db2.gz LSLDKPYNTRXKQN-CQSZACIVSA-N -1 3 388.384 0.700 20 0 GCADHM O=C1OCC[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476651 948383761 /nfs/dbraw/zinc/38/37/61/948383761.db2.gz LSLHQZNPBSJYTK-HZPDHXFCSA-N -1 3 397.439 0.889 20 0 GCADHM O=C1OCC[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476651 948383771 /nfs/dbraw/zinc/38/37/71/948383771.db2.gz LSLHQZNPBSJYTK-HZPDHXFCSA-N -1 3 397.439 0.889 20 0 GCADHM O=C1CC[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826477049 948385578 /nfs/dbraw/zinc/38/55/78/948385578.db2.gz UUPIWYUKOGBRNB-CVEARBPZSA-N -1 3 381.440 0.669 20 0 GCADHM O=C1CC[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826477049 948385585 /nfs/dbraw/zinc/38/55/85/948385585.db2.gz UUPIWYUKOGBRNB-CVEARBPZSA-N -1 3 381.440 0.669 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)C(F)(F)F ZINC001573704940 948386765 /nfs/dbraw/zinc/38/67/65/948386765.db2.gz CAQZGUHRBOBTNX-NXEZZACHSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)C(F)(F)F ZINC001573704940 948386768 /nfs/dbraw/zinc/38/67/68/948386768.db2.gz CAQZGUHRBOBTNX-NXEZZACHSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)C(F)(F)F ZINC001573704947 948387886 /nfs/dbraw/zinc/38/78/86/948387886.db2.gz CAQZGUHRBOBTNX-ZJUUUORDSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)C(F)(F)F ZINC001573704947 948387889 /nfs/dbraw/zinc/38/78/89/948387889.db2.gz CAQZGUHRBOBTNX-ZJUUUORDSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573705029 948389214 /nfs/dbraw/zinc/38/92/14/948389214.db2.gz VFCIHFXQDQJFSV-JSGCOSHPSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573705029 948389219 /nfs/dbraw/zinc/38/92/19/948389219.db2.gz VFCIHFXQDQJFSV-JSGCOSHPSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573705067 948390669 /nfs/dbraw/zinc/39/06/69/948390669.db2.gz VOTARNUCOUIGDM-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573705067 948390678 /nfs/dbraw/zinc/39/06/78/948390678.db2.gz VOTARNUCOUIGDM-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C(C)(C)C ZINC001573705201 948392934 /nfs/dbraw/zinc/39/29/34/948392934.db2.gz GKLZSAXLSDUBNN-VXGBXAGGSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C(C)(C)C ZINC001573705201 948392940 /nfs/dbraw/zinc/39/29/40/948392940.db2.gz GKLZSAXLSDUBNN-VXGBXAGGSA-N -1 3 389.460 0.834 20 0 GCADHM O=C1CN(CN2CCC(F)(F)C2)C(=O)N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826481540 948394354 /nfs/dbraw/zinc/39/43/54/948394354.db2.gz YYZGHANGZFALHH-UHFFFAOYSA-N -1 3 377.355 0.929 20 0 GCADHM O=C1CN(CN2CCC(F)(F)C2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826481540 948394361 /nfs/dbraw/zinc/39/43/61/948394361.db2.gz YYZGHANGZFALHH-UHFFFAOYSA-N -1 3 377.355 0.929 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826481619 948394750 /nfs/dbraw/zinc/39/47/50/948394750.db2.gz CHKIIMRESWIOQC-JTQLQIEISA-N -1 3 376.764 0.288 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826481619 948394757 /nfs/dbraw/zinc/39/47/57/948394757.db2.gz CHKIIMRESWIOQC-JTQLQIEISA-N -1 3 376.764 0.288 20 0 GCADHM O=C1NC(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3OC(F)F)C[C@@H]12 ZINC000826482081 948396710 /nfs/dbraw/zinc/39/67/10/948396710.db2.gz RFSMMZFUMWYFPS-JTQLQIEISA-N -1 3 379.327 0.204 20 0 GCADHM O=C1NC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3OC(F)F)C[C@@H]12 ZINC000826482081 948396718 /nfs/dbraw/zinc/39/67/18/948396718.db2.gz RFSMMZFUMWYFPS-JTQLQIEISA-N -1 3 379.327 0.204 20 0 GCADHM O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826487818 948401249 /nfs/dbraw/zinc/40/12/49/948401249.db2.gz AVWOLPOTMBPXMZ-VIFPVBQESA-N -1 3 394.354 0.921 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CCC1 ZINC001573705526 948402135 /nfs/dbraw/zinc/40/21/35/948402135.db2.gz ICHVDXHQVRUTKH-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CCC1 ZINC001573705526 948402140 /nfs/dbraw/zinc/40/21/40/948402140.db2.gz ICHVDXHQVRUTKH-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490082 948402333 /nfs/dbraw/zinc/40/23/33/948402333.db2.gz JKTIPLOXEYWJBP-VXGBXAGGSA-N -1 3 382.421 0.147 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826489945 948402694 /nfs/dbraw/zinc/40/26/94/948402694.db2.gz FIDIHOUIUALSTK-VXGBXAGGSA-N -1 3 398.876 0.662 20 0 GCADHM O=S1(=O)CCN(C2CCN(Cc3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000826496779 948410207 /nfs/dbraw/zinc/41/02/07/948410207.db2.gz JLDWYRMMSDHZTB-UHFFFAOYSA-N -1 3 376.486 0.562 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573706013 948411757 /nfs/dbraw/zinc/41/17/57/948411757.db2.gz JCURMQPLYJZXEN-VXGBXAGGSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573706013 948411764 /nfs/dbraw/zinc/41/17/64/948411764.db2.gz JCURMQPLYJZXEN-VXGBXAGGSA-N -1 3 385.407 0.801 20 0 GCADHM O=S1(=O)CCCN1CCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826497087 948411875 /nfs/dbraw/zinc/41/18/75/948411875.db2.gz UIBUFVMWQICJMX-OAHLLOKOSA-N -1 3 378.458 0.276 20 0 GCADHM O=S1(=O)CCCN1CCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826497087 948411883 /nfs/dbraw/zinc/41/18/83/948411883.db2.gz UIBUFVMWQICJMX-OAHLLOKOSA-N -1 3 378.458 0.276 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573706613 948420861 /nfs/dbraw/zinc/42/08/61/948420861.db2.gz JQESBGQCKACSOF-TZMCWYRMSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573706613 948420865 /nfs/dbraw/zinc/42/08/65/948420865.db2.gz JQESBGQCKACSOF-TZMCWYRMSA-N -1 3 383.416 0.041 20 0 GCADHM O[C@H](COC1CCOCC1)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826504497 948423226 /nfs/dbraw/zinc/42/32/26/948423226.db2.gz XIAQSKHSEDDWGK-WMZOPIPTSA-N -1 3 389.456 0.797 20 0 GCADHM O[C@H](COC1CCOCC1)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826504495 948423628 /nfs/dbraw/zinc/42/36/28/948423628.db2.gz XIAQSKHSEDDWGK-FUHWJXTLSA-N -1 3 389.456 0.797 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573706964 948425713 /nfs/dbraw/zinc/42/57/13/948425713.db2.gz MPCRLLBRSRBPGH-AAEUAGOBSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)n1cncn1 ZINC001573706964 948425717 /nfs/dbraw/zinc/42/57/17/948425717.db2.gz MPCRLLBRSRBPGH-AAEUAGOBSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)C(C)(F)F ZINC001573707234 948430374 /nfs/dbraw/zinc/43/03/74/948430374.db2.gz NIDSUGSFJSTIAZ-GHMZBOCLSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)C(C)(F)F ZINC001573707234 948430378 /nfs/dbraw/zinc/43/03/78/948430378.db2.gz NIDSUGSFJSTIAZ-GHMZBOCLSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)C(F)(F)F ZINC001573707581 948434722 /nfs/dbraw/zinc/43/47/22/948434722.db2.gz OOCIUWABOQIZQL-MWLCHTKSSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)C(F)(F)F ZINC001573707581 948434726 /nfs/dbraw/zinc/43/47/26/948434726.db2.gz OOCIUWABOQIZQL-MWLCHTKSSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)n1cccc1 ZINC001573707589 948436636 /nfs/dbraw/zinc/43/66/36/948436636.db2.gz OTTGUIAKKKYJSY-UKRRQHHQSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)n1cccc1 ZINC001573707589 948436640 /nfs/dbraw/zinc/43/66/40/948436640.db2.gz OTTGUIAKKKYJSY-UKRRQHHQSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001573707762 948438093 /nfs/dbraw/zinc/43/80/93/948438093.db2.gz POKHBQGUBLTUJZ-UONOGXRCSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001573707762 948438098 /nfs/dbraw/zinc/43/80/98/948438098.db2.gz POKHBQGUBLTUJZ-UONOGXRCSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F)n1cncn1 ZINC001573708129 948443070 /nfs/dbraw/zinc/44/30/70/948443070.db2.gz RTHCNIIHKRMTPC-BXUZGUMPSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573708287 948446662 /nfs/dbraw/zinc/44/66/62/948446662.db2.gz SUAFQRJVHFWJLP-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573708287 948446668 /nfs/dbraw/zinc/44/66/68/948446668.db2.gz SUAFQRJVHFWJLP-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1)C1CC1 ZINC001573708590 948453876 /nfs/dbraw/zinc/45/38/76/948453876.db2.gz WAZMSDCWKVQPNF-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1)C1CC1 ZINC001573708590 948453877 /nfs/dbraw/zinc/45/38/77/948453877.db2.gz WAZMSDCWKVQPNF-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1)C1CC1 ZINC001573708838 948459146 /nfs/dbraw/zinc/45/91/46/948459146.db2.gz YLICVUPSMFBJID-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1)C1CC1 ZINC001573708838 948459150 /nfs/dbraw/zinc/45/91/50/948459150.db2.gz YLICVUPSMFBJID-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NCC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573714032 948469410 /nfs/dbraw/zinc/46/94/10/948469410.db2.gz CQVKIZDDMGBDSM-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NCC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573714032 948469413 /nfs/dbraw/zinc/46/94/13/948469413.db2.gz CQVKIZDDMGBDSM-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001136655064 948474800 /nfs/dbraw/zinc/47/48/00/948474800.db2.gz GXLVJOFGYGIUNK-UHFFFAOYSA-N -1 3 390.400 0.601 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001136655064 948474804 /nfs/dbraw/zinc/47/48/04/948474804.db2.gz GXLVJOFGYGIUNK-UHFFFAOYSA-N -1 3 390.400 0.601 20 0 GCADHM C[C@H](C(=O)NCCN(C)Cc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CCC(=O)N1 ZINC001573714723 948476945 /nfs/dbraw/zinc/47/69/45/948476945.db2.gz JFAQAEBKXBXSLV-XHDPSFHLSA-N -1 3 389.435 0.469 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001145104216 948484699 /nfs/dbraw/zinc/48/46/99/948484699.db2.gz CQLMZHARWNNYKP-MFKMUULPSA-N -1 3 376.417 0.757 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001145104216 948484703 /nfs/dbraw/zinc/48/47/03/948484703.db2.gz CQLMZHARWNNYKP-MFKMUULPSA-N -1 3 376.417 0.757 20 0 GCADHM CS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001185613347 948491252 /nfs/dbraw/zinc/49/12/52/948491252.db2.gz KQOVDPZAOMPBBJ-UHFFFAOYSA-N -1 3 393.450 0.749 20 0 GCADHM CS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001185613347 948491255 /nfs/dbraw/zinc/49/12/55/948491255.db2.gz KQOVDPZAOMPBBJ-UHFFFAOYSA-N -1 3 393.450 0.749 20 0 GCADHM C[C@H](C(=O)NCCN(Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cncn1 ZINC001573717482 948508289 /nfs/dbraw/zinc/50/82/89/948508289.db2.gz CXGHEWZKQBPYIT-LLVKDONJSA-N -1 3 387.473 0.862 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC001436649789 948516939 /nfs/dbraw/zinc/51/69/39/948516939.db2.gz QWFVCEXCBOEVEQ-UHFFFAOYSA-N -1 3 389.372 0.442 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC001436649789 948516944 /nfs/dbraw/zinc/51/69/44/948516944.db2.gz QWFVCEXCBOEVEQ-UHFFFAOYSA-N -1 3 389.372 0.442 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001436651386 948518794 /nfs/dbraw/zinc/51/87/94/948518794.db2.gz NLFTWVZCHDVRDG-DOMZBBRYSA-N -1 3 376.392 0.824 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001436651386 948518799 /nfs/dbraw/zinc/51/87/99/948518799.db2.gz NLFTWVZCHDVRDG-DOMZBBRYSA-N -1 3 376.392 0.824 20 0 GCADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCC(=O)N1 ZINC001573718732 948519644 /nfs/dbraw/zinc/51/96/44/948519644.db2.gz JSSIMLVQBDMZQV-JOYOIKCWSA-N -1 3 392.851 0.382 20 0 GCADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCC(=O)N1 ZINC001573718732 948519648 /nfs/dbraw/zinc/51/96/48/948519648.db2.gz JSSIMLVQBDMZQV-JOYOIKCWSA-N -1 3 392.851 0.382 20 0 GCADHM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001453075325 948522648 /nfs/dbraw/zinc/52/26/48/948522648.db2.gz NSEICUYCVLAOAW-SGTLLEGYSA-N -1 3 386.412 0.692 20 0 GCADHM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001453075325 948522652 /nfs/dbraw/zinc/52/26/52/948522652.db2.gz NSEICUYCVLAOAW-SGTLLEGYSA-N -1 3 386.412 0.692 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ncccc1-c1nnn[n-]1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573719176 948522807 /nfs/dbraw/zinc/52/28/07/948522807.db2.gz KQQRBZGNRGNWIN-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ncccc1-c1nn[n-]n1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573719176 948522810 /nfs/dbraw/zinc/52/28/10/948522810.db2.gz KQQRBZGNRGNWIN-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NCCN1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573721290 948538479 /nfs/dbraw/zinc/53/84/79/948538479.db2.gz WPKPDBYHOULEMK-GFCCVEGCSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@H](C(=O)NCCN(Cc1cccc(-c2nn[n-]n2)c1)C1CC1)S(C)(=O)=O ZINC001573721641 948541783 /nfs/dbraw/zinc/54/17/83/948541783.db2.gz ZUGNWVVIHNTPEI-GFCCVEGCSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573721591 948542294 /nfs/dbraw/zinc/54/22/94/948542294.db2.gz YWNGWRAPUHGPMI-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573721591 948542303 /nfs/dbraw/zinc/54/23/03/948542303.db2.gz YWNGWRAPUHGPMI-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573726278 948550146 /nfs/dbraw/zinc/55/01/46/948550146.db2.gz HTFRWVQCXJDPDO-HTTKSJEASA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573726278 948550150 /nfs/dbraw/zinc/55/01/50/948550150.db2.gz HTFRWVQCXJDPDO-HTTKSJEASA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001573727221 948553650 /nfs/dbraw/zinc/55/36/50/948553650.db2.gz LNGUCIGBNSWGQE-CVMIBZJCSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001573727221 948553653 /nfs/dbraw/zinc/55/36/53/948553653.db2.gz LNGUCIGBNSWGQE-CVMIBZJCSA-N -1 3 387.444 0.635 20 0 GCADHM Cn1cnc(CCNC(=O)c2ccc(-c3nnn[n-]3)cn2)c1Br ZINC001558584412 948556252 /nfs/dbraw/zinc/55/62/52/948556252.db2.gz IVUKSJFUTGFDKM-UHFFFAOYSA-N -1 3 377.206 0.730 20 0 GCADHM Cn1cnc(CCNC(=O)c2ccc(-c3nn[n-]n3)cn2)c1Br ZINC001558584412 948556259 /nfs/dbraw/zinc/55/62/59/948556259.db2.gz IVUKSJFUTGFDKM-UHFFFAOYSA-N -1 3 377.206 0.730 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573728432 948561523 /nfs/dbraw/zinc/56/15/23/948561523.db2.gz FHHPRDXINOTFSN-BYNQJWBRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573728432 948561536 /nfs/dbraw/zinc/56/15/36/948561536.db2.gz FHHPRDXINOTFSN-BYNQJWBRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573728870 948562731 /nfs/dbraw/zinc/56/27/31/948562731.db2.gz RFXMNXIWJLRLOB-BZPMIXESSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573728870 948562734 /nfs/dbraw/zinc/56/27/34/948562734.db2.gz RFXMNXIWJLRLOB-BZPMIXESSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573736446 948616559 /nfs/dbraw/zinc/61/65/59/948616559.db2.gz UMQXTTDBIKOMKI-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573736446 948616564 /nfs/dbraw/zinc/61/65/64/948616564.db2.gz UMQXTTDBIKOMKI-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1cccnc1 ZINC001573739955 948626127 /nfs/dbraw/zinc/62/61/27/948626127.db2.gz JAWHNVQKPAOKQG-DFBGVHRSSA-N -1 3 380.412 0.126 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1cccnc1 ZINC001573739955 948626136 /nfs/dbraw/zinc/62/61/36/948626136.db2.gz JAWHNVQKPAOKQG-DFBGVHRSSA-N -1 3 380.412 0.126 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)C(C)(F)F ZINC001573740099 948627909 /nfs/dbraw/zinc/62/79/09/948627909.db2.gz DISWOQBNSWJQSO-HLUHBDAQSA-N -1 3 384.362 0.963 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)C(C)(F)F ZINC001573740099 948627917 /nfs/dbraw/zinc/62/79/17/948627917.db2.gz DISWOQBNSWJQSO-HLUHBDAQSA-N -1 3 384.362 0.963 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC001573740418 948634591 /nfs/dbraw/zinc/63/45/91/948634591.db2.gz OLZDGCRWSNVGJL-TYNCELHUSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C)c1cnn(C)c1 ZINC001573740418 948634598 /nfs/dbraw/zinc/63/45/98/948634598.db2.gz OLZDGCRWSNVGJL-TYNCELHUSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C(F)(F)F ZINC001573740687 948640206 /nfs/dbraw/zinc/64/02/06/948640206.db2.gz RNDGWKFULYMMHJ-QUNWWBBNSA-N -1 3 389.313 0.265 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C(F)(F)F ZINC001573740687 948640209 /nfs/dbraw/zinc/64/02/09/948640209.db2.gz RNDGWKFULYMMHJ-QUNWWBBNSA-N -1 3 389.313 0.265 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C)S(C)(=O)=O ZINC001573740764 948642065 /nfs/dbraw/zinc/64/20/65/948642065.db2.gz OMSIOSPPFYFKBW-TYNCELHUSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O)n1cccc1 ZINC001573740862 948644924 /nfs/dbraw/zinc/64/49/24/948644924.db2.gz PQHOOLWELYYLEK-VUCTXSBTSA-N -1 3 399.430 0.730 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O)n1cccc1 ZINC001573740862 948644928 /nfs/dbraw/zinc/64/49/28/948644928.db2.gz PQHOOLWELYYLEK-VUCTXSBTSA-N -1 3 399.430 0.730 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1ccsc1 ZINC001573741152 948651126 /nfs/dbraw/zinc/65/11/26/948651126.db2.gz TWNSLUYQXCSLPE-COLVAYQJSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1ccsc1 ZINC001573741152 948651133 /nfs/dbraw/zinc/65/11/33/948651133.db2.gz TWNSLUYQXCSLPE-COLVAYQJSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C)n1cccc1 ZINC001573742004 948658731 /nfs/dbraw/zinc/65/87/31/948658731.db2.gz HIFHCFMXCFZPMX-DYEKYZERSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C)n1cccc1 ZINC001573742004 948658737 /nfs/dbraw/zinc/65/87/37/948658737.db2.gz HIFHCFMXCFZPMX-DYEKYZERSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573743139 948667289 /nfs/dbraw/zinc/66/72/89/948667289.db2.gz YPEODNNFVVQVPV-FZMZJTMJSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573746101 948679162 /nfs/dbraw/zinc/67/91/62/948679162.db2.gz IUHUUXAHLLNFTJ-ZMLRMANQSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573746101 948679169 /nfs/dbraw/zinc/67/91/69/948679169.db2.gz IUHUUXAHLLNFTJ-ZMLRMANQSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C)n1cncn1 ZINC001573748051 948693981 /nfs/dbraw/zinc/69/39/81/948693981.db2.gz ZRHBZIIZGNFGTL-WZRBSPASSA-N -1 3 385.407 0.942 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C)n1cncn1 ZINC001573748051 948693984 /nfs/dbraw/zinc/69/39/84/948693984.db2.gz ZRHBZIIZGNFGTL-WZRBSPASSA-N -1 3 385.407 0.942 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573748040 948694525 /nfs/dbraw/zinc/69/45/25/948694525.db2.gz QZAFTKFHAQJTRL-JLLWLGSASA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573748040 948694530 /nfs/dbraw/zinc/69/45/30/948694530.db2.gz QZAFTKFHAQJTRL-JLLWLGSASA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573748799 948696513 /nfs/dbraw/zinc/69/65/13/948696513.db2.gz VCVURBADSBQMGW-BBBLOLIVSA-N -1 3 382.421 0.498 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573748799 948696519 /nfs/dbraw/zinc/69/65/19/948696519.db2.gz VCVURBADSBQMGW-BBBLOLIVSA-N -1 3 382.421 0.498 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCC(=O)N1 ZINC001573748869 948697655 /nfs/dbraw/zinc/69/76/55/948697655.db2.gz WGIKXMSCEXQCCK-AUZPSNTRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCC(=O)N1 ZINC001573748869 948697658 /nfs/dbraw/zinc/69/76/58/948697658.db2.gz WGIKXMSCEXQCCK-AUZPSNTRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573748803 948698437 /nfs/dbraw/zinc/69/84/37/948698437.db2.gz VDBRDCSZHMTXCZ-OBJOEFQTSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573748803 948698443 /nfs/dbraw/zinc/69/84/43/948698443.db2.gz VDBRDCSZHMTXCZ-OBJOEFQTSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573753933 948723345 /nfs/dbraw/zinc/72/33/45/948723345.db2.gz YKXDPNIHTWBILN-ZPFDUUQYSA-N -1 3 387.419 0.980 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573753933 948723353 /nfs/dbraw/zinc/72/33/53/948723353.db2.gz YKXDPNIHTWBILN-ZPFDUUQYSA-N -1 3 387.419 0.980 20 0 GCADHM C[C@H](C(=O)Nc1nccs1)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573754557 948744543 /nfs/dbraw/zinc/74/45/43/948744543.db2.gz HTYHDNZPFHMWSU-SECBINFHSA-N -1 3 389.445 0.340 20 0 GCADHM C[C@H](C(=O)Nc1nccs1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573754557 948744551 /nfs/dbraw/zinc/74/45/51/948744551.db2.gz HTYHDNZPFHMWSU-SECBINFHSA-N -1 3 389.445 0.340 20 0 GCADHM C[C@H](C(N)=O)N(C)Cc1ccccc1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573754773 948749527 /nfs/dbraw/zinc/74/95/27/948749527.db2.gz KFTDLZLFKPVIOR-LLVKDONJSA-N -1 3 382.428 0.430 20 0 GCADHM C[C@H](C(N)=O)N(C)Cc1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573754773 948749540 /nfs/dbraw/zinc/74/95/40/948749540.db2.gz KFTDLZLFKPVIOR-LLVKDONJSA-N -1 3 382.428 0.430 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)CC1 ZINC001575222269 948758605 /nfs/dbraw/zinc/75/86/05/948758605.db2.gz HPCWKSJGIIUPGY-NEPJUHHUSA-N -1 3 379.371 0.363 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)CC1 ZINC001575222269 948758611 /nfs/dbraw/zinc/75/86/11/948758611.db2.gz HPCWKSJGIIUPGY-NEPJUHHUSA-N -1 3 379.371 0.363 20 0 GCADHM C[C@H](C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1)[C@@H](C)S(C)(=O)=O ZINC001573755287 948758977 /nfs/dbraw/zinc/75/89/77/948758977.db2.gz OGTVQEXZBBPRKR-VHSXEESVSA-N -1 3 390.429 0.455 20 0 GCADHM C[C@H](C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1)[C@@H](C)S(C)(=O)=O ZINC001573755287 948758982 /nfs/dbraw/zinc/75/89/82/948758982.db2.gz OGTVQEXZBBPRKR-VHSXEESVSA-N -1 3 390.429 0.455 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)[C@@H]1COC[C@H]1O ZINC001573755300 948759413 /nfs/dbraw/zinc/75/94/13/948759413.db2.gz OIUNSBCSEGVQRX-JMJZKYOTSA-N -1 3 378.458 0.435 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)[C@@H]1COC[C@H]1O ZINC001573755300 948759425 /nfs/dbraw/zinc/75/94/25/948759425.db2.gz OIUNSBCSEGVQRX-JMJZKYOTSA-N -1 3 378.458 0.435 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001575223323 948764108 /nfs/dbraw/zinc/76/41/08/948764108.db2.gz NWPFVFLYTFCCFY-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001575223323 948764118 /nfs/dbraw/zinc/76/41/18/948764118.db2.gz NWPFVFLYTFCCFY-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574079714 948773947 /nfs/dbraw/zinc/77/39/47/948773947.db2.gz FUIQCNGWEAABLG-HNNXBMFYSA-N -1 3 391.455 0.643 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574079714 948773967 /nfs/dbraw/zinc/77/39/67/948773967.db2.gz FUIQCNGWEAABLG-HNNXBMFYSA-N -1 3 391.455 0.643 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574916572 948778140 /nfs/dbraw/zinc/77/81/40/948778140.db2.gz DOMUJUJFZFNLMI-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574916572 948778150 /nfs/dbraw/zinc/77/81/50/948778150.db2.gz DOMUJUJFZFNLMI-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)Cc1csc(-c2nnn[n-]2)c1)c1nncn1C ZINC001574079968 948779833 /nfs/dbraw/zinc/77/98/33/948779833.db2.gz MIJPMHWBNHYOFN-NSHDSACASA-N -1 3 382.475 0.873 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001574080196 948785692 /nfs/dbraw/zinc/78/56/92/948785692.db2.gz JUSPRQFHAWUGIC-QLFBSQMISA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001574080196 948785705 /nfs/dbraw/zinc/78/57/05/948785705.db2.gz JUSPRQFHAWUGIC-QLFBSQMISA-N -1 3 380.399 0.661 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574916684 948786361 /nfs/dbraw/zinc/78/63/61/948786361.db2.gz HJDRTYDMYQRWNS-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574916684 948786376 /nfs/dbraw/zinc/78/63/76/948786376.db2.gz HJDRTYDMYQRWNS-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001575224573 948787759 /nfs/dbraw/zinc/78/77/59/948787759.db2.gz PBWITDDSMPPLQC-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001575224573 948787775 /nfs/dbraw/zinc/78/77/75/948787775.db2.gz PBWITDDSMPPLQC-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574679555 948789631 /nfs/dbraw/zinc/78/96/31/948789631.db2.gz XVOQDWHNXIIXDN-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574679555 948789650 /nfs/dbraw/zinc/78/96/50/948789650.db2.gz XVOQDWHNXIIXDN-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001575224765 948791016 /nfs/dbraw/zinc/79/10/16/948791016.db2.gz YNLJKXVNWMINDQ-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001575224765 948791030 /nfs/dbraw/zinc/79/10/30/948791030.db2.gz YNLJKXVNWMINDQ-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917145 948804961 /nfs/dbraw/zinc/80/49/61/948804961.db2.gz RYKUWPXMPWNRLB-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917145 948804974 /nfs/dbraw/zinc/80/49/74/948804974.db2.gz RYKUWPXMPWNRLB-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)C1(CO)CC=CC1 ZINC001574081020 948811724 /nfs/dbraw/zinc/81/17/24/948811724.db2.gz WSZLWPYBCWPZDA-AWEZNQCLSA-N -1 3 378.458 0.893 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)C1(CO)CC=CC1 ZINC001574081020 948811747 /nfs/dbraw/zinc/81/17/47/948811747.db2.gz WSZLWPYBCWPZDA-AWEZNQCLSA-N -1 3 378.458 0.893 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917272 948815196 /nfs/dbraw/zinc/81/51/96/948815196.db2.gz VVCRGLRLLACOCR-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917272 948815217 /nfs/dbraw/zinc/81/52/17/948815217.db2.gz VVCRGLRLLACOCR-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574917982 948831468 /nfs/dbraw/zinc/83/14/68/948831468.db2.gz DYTKXTRUHGGUSJ-LLVKDONJSA-N -1 3 381.462 0.251 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574917982 948831491 /nfs/dbraw/zinc/83/14/91/948831491.db2.gz DYTKXTRUHGGUSJ-LLVKDONJSA-N -1 3 381.462 0.251 20 0 GCADHM C[C@H](CNC(=O)CCCc1ccccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917948 948833544 /nfs/dbraw/zinc/83/35/44/948833544.db2.gz CZPRNLFBFAQFSD-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CNC(=O)CCCc1ccccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917948 948833565 /nfs/dbraw/zinc/83/35/65/948833565.db2.gz CZPRNLFBFAQFSD-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)CC1 ZINC001575227724 948834329 /nfs/dbraw/zinc/83/43/29/948834329.db2.gz ZABLIGQNZZGWCX-GDGBQDQQSA-N -1 3 391.382 0.817 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)CC1 ZINC001575227724 948834346 /nfs/dbraw/zinc/83/43/46/948834346.db2.gz ZABLIGQNZZGWCX-GDGBQDQQSA-N -1 3 391.382 0.817 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574422345 948836807 /nfs/dbraw/zinc/83/68/07/948836807.db2.gz YYXAEMFZMNGBHN-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574422345 948836822 /nfs/dbraw/zinc/83/68/22/948836822.db2.gz YYXAEMFZMNGBHN-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575229141 948839383 /nfs/dbraw/zinc/83/93/83/948839383.db2.gz CKCPQJIOVCVMAL-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575229141 948839403 /nfs/dbraw/zinc/83/94/03/948839403.db2.gz CKCPQJIOVCVMAL-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574918384 948847288 /nfs/dbraw/zinc/84/72/88/948847288.db2.gz KFDJHINSCUMMAP-VIFPVBQESA-N -1 3 385.425 0.142 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574918384 948847304 /nfs/dbraw/zinc/84/73/04/948847304.db2.gz KFDJHINSCUMMAP-VIFPVBQESA-N -1 3 385.425 0.142 20 0 GCADHM CC(C)c1cnc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001574424335 948848783 /nfs/dbraw/zinc/84/87/83/948848783.db2.gz KYPXPVVHKBCUDV-CHWSQXEVSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1cnc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001574424335 948848797 /nfs/dbraw/zinc/84/87/97/948848797.db2.gz KYPXPVVHKBCUDV-CHWSQXEVSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)CC1 ZINC001574082251 948854511 /nfs/dbraw/zinc/85/45/11/948854511.db2.gz CNOZZEKBZJCJGV-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)CC1 ZINC001574082251 948854529 /nfs/dbraw/zinc/85/45/29/948854529.db2.gz CNOZZEKBZJCJGV-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574082477 948854565 /nfs/dbraw/zinc/85/45/65/948854565.db2.gz DWBWAXHLMIUBET-CYBMUJFWSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574082477 948854576 /nfs/dbraw/zinc/85/45/76/948854576.db2.gz DWBWAXHLMIUBET-CYBMUJFWSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@H](O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574082512 948857894 /nfs/dbraw/zinc/85/78/94/948857894.db2.gz FWNWYVGZEXIERY-GFCCVEGCSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@H](O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574082512 948857911 /nfs/dbraw/zinc/85/79/11/948857911.db2.gz FWNWYVGZEXIERY-GFCCVEGCSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)c1cnc(CN2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)o1 ZINC001574424798 948863602 /nfs/dbraw/zinc/86/36/02/948863602.db2.gz VVQVQVNTGVEZQV-OLZOCXBDSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1cnc(CN2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)o1 ZINC001574424798 948863617 /nfs/dbraw/zinc/86/36/17/948863617.db2.gz VVQVQVNTGVEZQV-OLZOCXBDSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)no1 ZINC001574425198 948866113 /nfs/dbraw/zinc/86/61/13/948866113.db2.gz ARBRYZCKNFHJLS-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)no1 ZINC001574425198 948866130 /nfs/dbraw/zinc/86/61/30/948866130.db2.gz ARBRYZCKNFHJLS-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574919177 948868773 /nfs/dbraw/zinc/86/87/73/948868773.db2.gz VPPVXJQOUMSLRA-CYBMUJFWSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574919177 948868791 /nfs/dbraw/zinc/86/87/91/948868791.db2.gz VPPVXJQOUMSLRA-CYBMUJFWSA-N -1 3 382.428 0.820 20 0 GCADHM CC(C)c1nc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)n(C)n1 ZINC001574425338 948870164 /nfs/dbraw/zinc/87/01/64/948870164.db2.gz DJOQDLGEBKDLIU-UHFFFAOYSA-N -1 3 377.434 0.035 20 0 GCADHM CC(C)c1nc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)n(C)n1 ZINC001574425338 948870180 /nfs/dbraw/zinc/87/01/80/948870180.db2.gz DJOQDLGEBKDLIU-UHFFFAOYSA-N -1 3 377.434 0.035 20 0 GCADHM CC(C)c1nnc(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001574425277 948872002 /nfs/dbraw/zinc/87/20/02/948872002.db2.gz BXHFUZSLIGRYMV-GFCCVEGCSA-N -1 3 384.448 0.783 20 0 GCADHM CC(C)(C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573763436 948874715 /nfs/dbraw/zinc/87/47/15/948874715.db2.gz FGBNIDGGYMCZJM-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573763436 948874734 /nfs/dbraw/zinc/87/47/34/948874734.db2.gz FGBNIDGGYMCZJM-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccnc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574919211 948874705 /nfs/dbraw/zinc/87/47/05/948874705.db2.gz WSEVYFFJDSEOSB-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccnc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574919211 948874718 /nfs/dbraw/zinc/87/47/18/948874718.db2.gz WSEVYFFJDSEOSB-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM CC(F)(F)CC(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001575233096 948878176 /nfs/dbraw/zinc/87/81/76/948878176.db2.gz GTBGKBURYZYBJR-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(F)(F)CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575233096 948878193 /nfs/dbraw/zinc/87/81/93/948878193.db2.gz GTBGKBURYZYBJR-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)no1 ZINC001574425741 948878885 /nfs/dbraw/zinc/87/88/85/948878885.db2.gz MMMHLIUVQUAQFZ-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)no1 ZINC001574425741 948878907 /nfs/dbraw/zinc/87/89/07/948878907.db2.gz MMMHLIUVQUAQFZ-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574920069 948881001 /nfs/dbraw/zinc/88/10/01/948881001.db2.gz BLAQZLRRJJEEMP-NSHDSACASA-N -1 3 385.407 0.765 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574920069 948881021 /nfs/dbraw/zinc/88/10/21/948881021.db2.gz BLAQZLRRJJEEMP-NSHDSACASA-N -1 3 385.407 0.765 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H](C)S(C)(=O)=O ZINC001574684728 948882559 /nfs/dbraw/zinc/88/25/59/948882559.db2.gz LSXACGFYEIIFTM-IUCAKERBSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H](C)S(C)(=O)=O ZINC001574684728 948882580 /nfs/dbraw/zinc/88/25/80/948882580.db2.gz LSXACGFYEIIFTM-IUCAKERBSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CN(C)CCO1 ZINC001574684829 948885917 /nfs/dbraw/zinc/88/59/17/948885917.db2.gz NIQRGPBODRQJHL-GXFFZTMASA-N -1 3 378.412 0.038 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CN(C)CCO1 ZINC001574684829 948885930 /nfs/dbraw/zinc/88/59/30/948885930.db2.gz NIQRGPBODRQJHL-GXFFZTMASA-N -1 3 378.412 0.038 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CO)c1cncn1C ZINC001574083612 948886070 /nfs/dbraw/zinc/88/60/70/948886070.db2.gz VSLNZPFICQESER-CZUORRHYSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CO)c1cncn1C ZINC001574083612 948886091 /nfs/dbraw/zinc/88/60/91/948886091.db2.gz VSLNZPFICQESER-CZUORRHYSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CO)c1cncn1C ZINC001574083611 948886331 /nfs/dbraw/zinc/88/63/31/948886331.db2.gz VSLNZPFICQESER-CJNGLKHVSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CO)c1cncn1C ZINC001574083611 948886346 /nfs/dbraw/zinc/88/63/46/948886346.db2.gz VSLNZPFICQESER-CJNGLKHVSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1)C1CC1 ZINC001573764302 948886709 /nfs/dbraw/zinc/88/67/09/948886709.db2.gz MCMHBLBWIXSBBD-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1)C1CC1 ZINC001573764302 948886724 /nfs/dbraw/zinc/88/67/24/948886724.db2.gz MCMHBLBWIXSBBD-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574684759 948887452 /nfs/dbraw/zinc/88/74/52/948887452.db2.gz MBBBMMYHUZPKRK-QGHHPUGFSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574684759 948887464 /nfs/dbraw/zinc/88/74/64/948887464.db2.gz MBBBMMYHUZPKRK-QGHHPUGFSA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)no1 ZINC001574426398 948887664 /nfs/dbraw/zinc/88/76/64/948887664.db2.gz RIZBWRSSKIAZJY-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)no1 ZINC001574426398 948887679 /nfs/dbraw/zinc/88/76/79/948887679.db2.gz RIZBWRSSKIAZJY-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574684756 948888903 /nfs/dbraw/zinc/88/89/03/948888903.db2.gz MBBBMMYHUZPKRK-BMLIUANNSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574684756 948888917 /nfs/dbraw/zinc/88/89/17/948888917.db2.gz MBBBMMYHUZPKRK-BMLIUANNSA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C1CC1 ZINC001573764355 948888771 /nfs/dbraw/zinc/88/87/71/948888771.db2.gz NRLGONMJRUCIOI-RISCZKNCSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C1CC1 ZINC001573764355 948888792 /nfs/dbraw/zinc/88/87/92/948888792.db2.gz NRLGONMJRUCIOI-RISCZKNCSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920188 948891243 /nfs/dbraw/zinc/89/12/43/948891243.db2.gz FJULPRXCDCTOIJ-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920188 948891265 /nfs/dbraw/zinc/89/12/65/948891265.db2.gz FJULPRXCDCTOIJ-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CO)c1nncn1C ZINC001574083757 948891282 /nfs/dbraw/zinc/89/12/82/948891282.db2.gz XZCHLQGEPJCTQP-JSGCOSHPSA-N -1 3 386.416 0.248 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CO)c1nncn1C ZINC001574083757 948891303 /nfs/dbraw/zinc/89/13/03/948891303.db2.gz XZCHLQGEPJCTQP-JSGCOSHPSA-N -1 3 386.416 0.248 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574684956 948894244 /nfs/dbraw/zinc/89/42/44/948894244.db2.gz PPIJEYBFFDBENQ-MWLCHTKSSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574684956 948894255 /nfs/dbraw/zinc/89/42/55/948894255.db2.gz PPIJEYBFFDBENQ-MWLCHTKSSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1COCCO1 ZINC001574684990 948895319 /nfs/dbraw/zinc/89/53/19/948895319.db2.gz QNXROWWEBRPLNQ-JOYOIKCWSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1COCCO1 ZINC001574684990 948895328 /nfs/dbraw/zinc/89/53/28/948895328.db2.gz QNXROWWEBRPLNQ-JOYOIKCWSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920292 948895466 /nfs/dbraw/zinc/89/54/66/948895466.db2.gz HUBTWPPYSFPVKE-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920292 948895480 /nfs/dbraw/zinc/89/54/80/948895480.db2.gz HUBTWPPYSFPVKE-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)c1nc(CNC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)no1 ZINC001574427068 948896114 /nfs/dbraw/zinc/89/61/14/948896114.db2.gz YBAXDHKGVJRTBP-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)no1 ZINC001574427068 948896121 /nfs/dbraw/zinc/89/61/21/948896121.db2.gz YBAXDHKGVJRTBP-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920242 948896248 /nfs/dbraw/zinc/89/62/48/948896248.db2.gz GTFGFUBBOGNQEM-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920242 948896258 /nfs/dbraw/zinc/89/62/58/948896258.db2.gz GTFGFUBBOGNQEM-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1COC(=O)N1 ZINC001574684944 948897634 /nfs/dbraw/zinc/89/76/34/948897634.db2.gz PMNKVCMOUXJRRR-XCBNKYQSSA-N -1 3 380.796 0.330 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1COC(=O)N1 ZINC001574684944 948897656 /nfs/dbraw/zinc/89/76/56/948897656.db2.gz PMNKVCMOUXJRRR-XCBNKYQSSA-N -1 3 380.796 0.330 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccs1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920400 948902790 /nfs/dbraw/zinc/90/27/90/948902790.db2.gz KEKFLWXKSRDCHJ-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccs1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920400 948902803 /nfs/dbraw/zinc/90/28/03/948902803.db2.gz KEKFLWXKSRDCHJ-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM CC(F)(F)CC(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001575234612 948903157 /nfs/dbraw/zinc/90/31/57/948903157.db2.gz QLJGFFCUSYMYAR-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(F)(F)CC(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001575234612 948903166 /nfs/dbraw/zinc/90/31/66/948903166.db2.gz QLJGFFCUSYMYAR-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574427413 948903964 /nfs/dbraw/zinc/90/39/64/948903964.db2.gz FRLDKIRVRPNZCN-GFCCVEGCSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574427413 948903971 /nfs/dbraw/zinc/90/39/71/948903971.db2.gz FRLDKIRVRPNZCN-GFCCVEGCSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574427630 948908137 /nfs/dbraw/zinc/90/81/37/948908137.db2.gz KJUYUOVJZFZTEX-UHFFFAOYSA-N -1 3 384.448 0.571 20 0 GCADHM CC(F)(F)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575234835 948908239 /nfs/dbraw/zinc/90/82/39/948908239.db2.gz GZGHGGYUPDDADV-IWIIMEHWSA-N -1 3 379.371 0.817 20 0 GCADHM CC(F)(F)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575234835 948908252 /nfs/dbraw/zinc/90/82/52/948908252.db2.gz GZGHGGYUPDDADV-IWIIMEHWSA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)(C(=O)N1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1)S(C)(=O)=O ZINC001573765396 948910224 /nfs/dbraw/zinc/91/02/24/948910224.db2.gz BVVGGYVHJHMJPO-UHFFFAOYSA-N -1 3 392.485 0.334 20 0 GCADHM CC(C)(C(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC001573765396 948910235 /nfs/dbraw/zinc/91/02/35/948910235.db2.gz BVVGGYVHJHMJPO-UHFFFAOYSA-N -1 3 392.485 0.334 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574685455 948912179 /nfs/dbraw/zinc/91/21/79/948912179.db2.gz WQJCTHBQCJPOEY-ZJUUUORDSA-N -1 3 377.380 0.661 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574685455 948912186 /nfs/dbraw/zinc/91/21/86/948912186.db2.gz WQJCTHBQCJPOEY-ZJUUUORDSA-N -1 3 377.380 0.661 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574685646 948914640 /nfs/dbraw/zinc/91/46/40/948914640.db2.gz YLMCRBOJMWCUPQ-GHMZBOCLSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574685646 948914654 /nfs/dbraw/zinc/91/46/54/948914654.db2.gz YLMCRBOJMWCUPQ-GHMZBOCLSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@H](CNC(=O)CCc1nccs1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574921161 948919174 /nfs/dbraw/zinc/91/91/74/948919174.db2.gz UNYHKMZCEGCEML-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1nccs1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574921161 948919187 /nfs/dbraw/zinc/91/91/87/948919187.db2.gz UNYHKMZCEGCEML-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001575235499 948919815 /nfs/dbraw/zinc/91/98/15/948919815.db2.gz VUIADEAAJADJRB-HNNXBMFYSA-N -1 3 385.350 0.504 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001575235499 948919832 /nfs/dbraw/zinc/91/98/32/948919832.db2.gz VUIADEAAJADJRB-HNNXBMFYSA-N -1 3 385.350 0.504 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574921417 948922219 /nfs/dbraw/zinc/92/22/19/948922219.db2.gz WYKZATAEYCBHKD-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574921417 948922231 /nfs/dbraw/zinc/92/22/31/948922231.db2.gz WYKZATAEYCBHKD-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)N1CCOCC1 ZINC001573765781 948924029 /nfs/dbraw/zinc/92/40/29/948924029.db2.gz GFSAMIWUCJSGEE-CQSZACIVSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)N1CCOCC1 ZINC001573765781 948924043 /nfs/dbraw/zinc/92/40/43/948924043.db2.gz GFSAMIWUCJSGEE-CQSZACIVSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCS(C)(=O)=O ZINC001574685952 948924170 /nfs/dbraw/zinc/92/41/70/948924170.db2.gz CBKNEMOTJFPSAN-SECBINFHSA-N -1 3 385.425 0.142 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCS(C)(=O)=O ZINC001574685952 948924186 /nfs/dbraw/zinc/92/41/86/948924186.db2.gz CBKNEMOTJFPSAN-SECBINFHSA-N -1 3 385.425 0.142 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574431758 948924928 /nfs/dbraw/zinc/92/49/28/948924928.db2.gz AYNSLJAGUPQRSA-LBPRGKRZSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574431758 948924946 /nfs/dbraw/zinc/92/49/46/948924946.db2.gz AYNSLJAGUPQRSA-LBPRGKRZSA-N -1 3 385.432 0.171 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574685990 948925319 /nfs/dbraw/zinc/92/53/19/948925319.db2.gz CWDILCHKOSQJBC-CMPLNLGQSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574685990 948925327 /nfs/dbraw/zinc/92/53/27/948925327.db2.gz CWDILCHKOSQJBC-CMPLNLGQSA-N -1 3 379.446 0.146 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574432245 948928012 /nfs/dbraw/zinc/92/80/12/948928012.db2.gz GNTSCBWSHJMEIG-NSHDSACASA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574432245 948928018 /nfs/dbraw/zinc/92/80/18/948928018.db2.gz GNTSCBWSHJMEIG-NSHDSACASA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574088503 948928862 /nfs/dbraw/zinc/92/88/62/948928862.db2.gz FTYAZMKKVCLHFS-SJCJKPOMSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574088503 948928871 /nfs/dbraw/zinc/92/88/71/948928871.db2.gz FTYAZMKKVCLHFS-SJCJKPOMSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574923030 948931468 /nfs/dbraw/zinc/93/14/68/948931468.db2.gz BPDHSRUXFZLGAF-LBPRGKRZSA-N -1 3 383.416 0.073 20 0 GCADHM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574923030 948931481 /nfs/dbraw/zinc/93/14/81/948931481.db2.gz BPDHSRUXFZLGAF-LBPRGKRZSA-N -1 3 383.416 0.073 20 0 GCADHM CC(C)(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)F ZINC001573766082 948932426 /nfs/dbraw/zinc/93/24/26/948932426.db2.gz YZOPFDLHCJXBRG-JZYVYDRUSA-N -1 3 379.371 0.673 20 0 GCADHM CC(C)(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)F ZINC001573766082 948932435 /nfs/dbraw/zinc/93/24/35/948932435.db2.gz YZOPFDLHCJXBRG-JZYVYDRUSA-N -1 3 379.371 0.673 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574432258 948932672 /nfs/dbraw/zinc/93/26/72/948932672.db2.gz HDFIBQFDIUBZSO-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM C[C@@H](CNC(=O)CCn1cncn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574923108 948934550 /nfs/dbraw/zinc/93/45/50/948934550.db2.gz DRJYGGHSIGZYSQ-VIFPVBQESA-N -1 3 376.812 0.514 20 0 GCADHM C[C@@H](CNC(=O)CCn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574923108 948934560 /nfs/dbraw/zinc/93/45/60/948934560.db2.gz DRJYGGHSIGZYSQ-VIFPVBQESA-N -1 3 376.812 0.514 20 0 GCADHM C[C@@H](CNC(=O)CCn1cnccc1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574923094 948935521 /nfs/dbraw/zinc/93/55/21/948935521.db2.gz DHEQJHCRDCTJCD-NSHDSACASA-N -1 3 386.391 0.569 20 0 GCADHM C[C@@H](CNC(=O)CCn1cnccc1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574923094 948935531 /nfs/dbraw/zinc/93/55/31/948935531.db2.gz DHEQJHCRDCTJCD-NSHDSACASA-N -1 3 386.391 0.569 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574432483 948936231 /nfs/dbraw/zinc/93/62/31/948936231.db2.gz KNGNZROLVZNTBJ-LBPRGKRZSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574432483 948936248 /nfs/dbraw/zinc/93/62/48/948936248.db2.gz KNGNZROLVZNTBJ-LBPRGKRZSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001574432503 948937038 /nfs/dbraw/zinc/93/70/38/948937038.db2.gz LOKYVTTWNGQOIG-OLZOCXBDSA-N -1 3 396.459 0.760 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001574432503 948937047 /nfs/dbraw/zinc/93/70/47/948937047.db2.gz LOKYVTTWNGQOIG-OLZOCXBDSA-N -1 3 396.459 0.760 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573771299 948938871 /nfs/dbraw/zinc/93/88/71/948938871.db2.gz FLBOVSXNQNTWRG-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573771299 948938885 /nfs/dbraw/zinc/93/88/85/948938885.db2.gz FLBOVSXNQNTWRG-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM C[C@@H](CNC(=O)CCn1cncn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574923214 948939364 /nfs/dbraw/zinc/93/93/64/948939364.db2.gz HOPLIDUGOQTCES-LBPRGKRZSA-N -1 3 387.423 0.624 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001574089044 948941942 /nfs/dbraw/zinc/94/19/42/948941942.db2.gz FVLMCUQZLNXBAR-CABCVRRESA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001574089044 948941958 /nfs/dbraw/zinc/94/19/58/948941958.db2.gz FVLMCUQZLNXBAR-CABCVRRESA-N -1 3 388.447 0.961 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574923240 948942001 /nfs/dbraw/zinc/94/20/01/948942001.db2.gz IEOCRWNAMQEPKD-NSHDSACASA-N -1 3 389.435 0.815 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574923240 948942017 /nfs/dbraw/zinc/94/20/17/948942017.db2.gz IEOCRWNAMQEPKD-NSHDSACASA-N -1 3 389.435 0.815 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574432895 948942354 /nfs/dbraw/zinc/94/23/54/948942354.db2.gz OQMDLMUURLWCRH-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574432895 948942373 /nfs/dbraw/zinc/94/23/73/948942373.db2.gz OQMDLMUURLWCRH-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574432951 948944646 /nfs/dbraw/zinc/94/46/46/948944646.db2.gz QGKWICWRBFXILR-LBPRGKRZSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574432951 948944662 /nfs/dbraw/zinc/94/46/62/948944662.db2.gz QGKWICWRBFXILR-LBPRGKRZSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cn(C)c(=O)n1C ZINC001574687083 948945523 /nfs/dbraw/zinc/94/55/23/948945523.db2.gz MYMZHJLZHAEXEN-SECBINFHSA-N -1 3 389.395 0.059 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cn(C)c(=O)n1C ZINC001574687083 948945537 /nfs/dbraw/zinc/94/55/37/948945537.db2.gz MYMZHJLZHAEXEN-SECBINFHSA-N -1 3 389.395 0.059 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCC(=O)N1C ZINC001574687057 948946836 /nfs/dbraw/zinc/94/68/36/948946836.db2.gz MMCCWLXQVINOEG-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCC(=O)N1C ZINC001574687057 948946848 /nfs/dbraw/zinc/94/68/48/948946848.db2.gz MMCCWLXQVINOEG-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574089340 948951785 /nfs/dbraw/zinc/95/17/85/948951785.db2.gz JFIAOBQMJDBCMK-KPZWWZAWSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574089340 948951800 /nfs/dbraw/zinc/95/18/00/948951800.db2.gz JFIAOBQMJDBCMK-KPZWWZAWSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CCCCCC1=O ZINC001574687711 948953545 /nfs/dbraw/zinc/95/35/45/948953545.db2.gz QXWLYXXLSHLGDW-ZDUSSCGKSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CCCCCC1=O ZINC001574687711 948953557 /nfs/dbraw/zinc/95/35/57/948953557.db2.gz QXWLYXXLSHLGDW-ZDUSSCGKSA-N -1 3 386.460 0.971 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574433365 948953959 /nfs/dbraw/zinc/95/39/59/948953959.db2.gz WHJOGXRVXNCJPJ-ZDUSSCGKSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574433365 948953964 /nfs/dbraw/zinc/95/39/64/948953964.db2.gz WHJOGXRVXNCJPJ-ZDUSSCGKSA-N -1 3 385.432 0.171 20 0 GCADHM C[C@@H](CNC(=O)CCn1cncn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574923657 948957263 /nfs/dbraw/zinc/95/72/63/948957263.db2.gz QPTBKIYIKUWCTO-JTQLQIEISA-N -1 3 390.839 0.538 20 0 GCADHM C[C@@H](CNC(=O)CCn1cncn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574923657 948957270 /nfs/dbraw/zinc/95/72/70/948957270.db2.gz QPTBKIYIKUWCTO-JTQLQIEISA-N -1 3 390.839 0.538 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574433397 948957209 /nfs/dbraw/zinc/95/72/09/948957209.db2.gz LDRBOIYYGJRPGS-GFCCVEGCSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574433397 948957216 /nfs/dbraw/zinc/95/72/16/948957216.db2.gz LDRBOIYYGJRPGS-GFCCVEGCSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574089554 948958466 /nfs/dbraw/zinc/95/84/66/948958466.db2.gz FJJSOWYPZDQUAZ-SWLSCSKDSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574089554 948958471 /nfs/dbraw/zinc/95/84/71/948958471.db2.gz FJJSOWYPZDQUAZ-SWLSCSKDSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ccc(=O)n(C)n1 ZINC001574688330 948960703 /nfs/dbraw/zinc/96/07/03/948960703.db2.gz UGKKQCONKSVYJH-VIFPVBQESA-N -1 3 387.379 0.115 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ccc(=O)n(C)n1 ZINC001574688330 948960712 /nfs/dbraw/zinc/96/07/12/948960712.db2.gz UGKKQCONKSVYJH-VIFPVBQESA-N -1 3 387.379 0.115 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574089550 948960854 /nfs/dbraw/zinc/96/08/54/948960854.db2.gz FJJSOWYPZDQUAZ-DOMZBBRYSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574089550 948960867 /nfs/dbraw/zinc/96/08/67/948960867.db2.gz FJJSOWYPZDQUAZ-DOMZBBRYSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574924049 948964005 /nfs/dbraw/zinc/96/40/05/948964005.db2.gz UPGPZFJTZOEESO-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM C[C@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574924049 948964018 /nfs/dbraw/zinc/96/40/18/948964018.db2.gz UPGPZFJTZOEESO-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574924291 948969635 /nfs/dbraw/zinc/96/96/35/948969635.db2.gz YZTRGCSZSDQMHP-ZDUSSCGKSA-N -1 3 382.428 0.678 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574924291 948969650 /nfs/dbraw/zinc/96/96/50/948969650.db2.gz YZTRGCSZSDQMHP-ZDUSSCGKSA-N -1 3 382.428 0.678 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001574688802 948969859 /nfs/dbraw/zinc/96/98/59/948969859.db2.gz ZKLZKPXUGNDGLW-WDEREUQCSA-N -1 3 381.462 0.249 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001574688802 948969871 /nfs/dbraw/zinc/96/98/71/948969871.db2.gz ZKLZKPXUGNDGLW-WDEREUQCSA-N -1 3 381.462 0.249 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574924342 948971712 /nfs/dbraw/zinc/97/17/12/948971712.db2.gz ZWEXUHBOPIFVSM-SNVBAGLBSA-N -1 3 390.423 0.433 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574924342 948971722 /nfs/dbraw/zinc/97/17/22/948971722.db2.gz ZWEXUHBOPIFVSM-SNVBAGLBSA-N -1 3 390.423 0.433 20 0 GCADHM CC(C)c1nnc(CNC2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001574434034 948972572 /nfs/dbraw/zinc/97/25/72/948972572.db2.gz DFPJUSBECMMSHV-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnc(CNC2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001574434034 948972582 /nfs/dbraw/zinc/97/25/82/948972582.db2.gz DFPJUSBECMMSHV-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCOCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574089973 948973082 /nfs/dbraw/zinc/97/30/82/948973082.db2.gz JRNLIOQIYVLACF-UONOGXRCSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCOCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574089973 948973087 /nfs/dbraw/zinc/97/30/87/948973087.db2.gz JRNLIOQIYVLACF-UONOGXRCSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCO1 ZINC001574090008 948973630 /nfs/dbraw/zinc/97/36/30/948973630.db2.gz HFSUYUKQXPPMNS-ABAIWWIYSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCO1 ZINC001574090008 948973641 /nfs/dbraw/zinc/97/36/41/948973641.db2.gz HFSUYUKQXPPMNS-ABAIWWIYSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574925529 948974036 /nfs/dbraw/zinc/97/40/36/948974036.db2.gz AUOOAAFJFNEXKW-CYBMUJFWSA-N -1 3 386.460 0.605 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574925529 948974050 /nfs/dbraw/zinc/97/40/50/948974050.db2.gz AUOOAAFJFNEXKW-CYBMUJFWSA-N -1 3 386.460 0.605 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC001573773136 948976571 /nfs/dbraw/zinc/97/65/71/948976571.db2.gz HVOQKLIXHIXFMP-AWEZNQCLSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC001573773136 948976579 /nfs/dbraw/zinc/97/65/79/948976579.db2.gz HVOQKLIXHIXFMP-AWEZNQCLSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574434272 948977470 /nfs/dbraw/zinc/97/74/70/948977470.db2.gz GEZTXLHQZKNOJP-LBPRGKRZSA-N -1 3 383.420 0.085 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574434272 948977486 /nfs/dbraw/zinc/97/74/86/948977486.db2.gz GEZTXLHQZKNOJP-LBPRGKRZSA-N -1 3 383.420 0.085 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)N1CCOCC1 ZINC001573773154 948977990 /nfs/dbraw/zinc/97/79/90/948977990.db2.gz IEFOPKLJJVFTLP-CYBMUJFWSA-N -1 3 386.460 0.067 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)N1CCOCC1 ZINC001573773154 948978005 /nfs/dbraw/zinc/97/80/05/948978005.db2.gz IEFOPKLJJVFTLP-CYBMUJFWSA-N -1 3 386.460 0.067 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCCO1 ZINC001573773132 948978085 /nfs/dbraw/zinc/97/80/85/948978085.db2.gz HVDFBNKJGFGVNH-KBPBESRZSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCCO1 ZINC001573773132 948978103 /nfs/dbraw/zinc/97/81/03/948978103.db2.gz HVDFBNKJGFGVNH-KBPBESRZSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574434284 948980631 /nfs/dbraw/zinc/98/06/31/948980631.db2.gz GKMWHIFVTOJAJL-NSHDSACASA-N -1 3 385.436 0.013 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574434284 948980646 /nfs/dbraw/zinc/98/06/46/948980646.db2.gz GKMWHIFVTOJAJL-NSHDSACASA-N -1 3 385.436 0.013 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574090347 948983793 /nfs/dbraw/zinc/98/37/93/948983793.db2.gz ITLRGAGLYKMMCH-CHWSQXEVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)c1c[nH]cn1 ZINC001573773372 948983866 /nfs/dbraw/zinc/98/38/66/948983866.db2.gz AIVLZOKTLUCVMJ-UHFFFAOYSA-N -1 3 382.432 0.808 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574090347 948983804 /nfs/dbraw/zinc/98/38/04/948983804.db2.gz ITLRGAGLYKMMCH-CHWSQXEVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573773682 948989193 /nfs/dbraw/zinc/98/91/93/948989193.db2.gz DFYGGIOETBYZOT-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573773682 948989203 /nfs/dbraw/zinc/98/92/03/948989203.db2.gz DFYGGIOETBYZOT-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)C(F)F ZINC001573773644 948989506 /nfs/dbraw/zinc/98/95/06/948989506.db2.gz OJNSZUWYFVDCMC-CMPLNLGQSA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)C(F)F ZINC001573773644 948989516 /nfs/dbraw/zinc/98/95/16/948989516.db2.gz OJNSZUWYFVDCMC-CMPLNLGQSA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)C(F)F ZINC001573773647 948991196 /nfs/dbraw/zinc/99/11/96/948991196.db2.gz OJNSZUWYFVDCMC-ZYHUDNBSSA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)C(F)F ZINC001573773647 948991203 /nfs/dbraw/zinc/99/12/03/948991203.db2.gz OJNSZUWYFVDCMC-ZYHUDNBSSA-N -1 3 381.387 0.609 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574926292 948993966 /nfs/dbraw/zinc/99/39/66/948993966.db2.gz MTDNXTQIUYHZQT-JTQLQIEISA-N -1 3 392.851 0.702 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574926292 948993987 /nfs/dbraw/zinc/99/39/87/948993987.db2.gz MTDNXTQIUYHZQT-JTQLQIEISA-N -1 3 392.851 0.702 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574926293 948995036 /nfs/dbraw/zinc/99/50/36/948995036.db2.gz MTDNXTQIUYHZQT-SNVBAGLBSA-N -1 3 392.851 0.702 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574926293 948995045 /nfs/dbraw/zinc/99/50/45/948995045.db2.gz MTDNXTQIUYHZQT-SNVBAGLBSA-N -1 3 392.851 0.702 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001573773981 948995914 /nfs/dbraw/zinc/99/59/14/948995914.db2.gz HLSZONRONOIJIZ-JSGCOSHPSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001573773981 948995925 /nfs/dbraw/zinc/99/59/25/948995925.db2.gz HLSZONRONOIJIZ-JSGCOSHPSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1c[nH]cn1 ZINC001573774051 948996306 /nfs/dbraw/zinc/99/63/06/948996306.db2.gz PQUBENPXRUTNEZ-SNVBAGLBSA-N -1 3 383.416 0.226 20 0 GCADHM CC(C)c1nnc(CN[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)o1 ZINC001574435626 948997818 /nfs/dbraw/zinc/99/78/18/948997818.db2.gz WQCWCBUILCGXQG-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnc(CN[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)o1 ZINC001574435626 948997834 /nfs/dbraw/zinc/99/78/34/948997834.db2.gz WQCWCBUILCGXQG-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(F)(F)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001575243703 948997743 /nfs/dbraw/zinc/99/77/43/948997743.db2.gz QEODRBFWOUOFRM-UHFFFAOYSA-N -1 3 390.391 0.967 20 0 GCADHM CC(C)c1nnc(CNC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)o1 ZINC001574435601 948998802 /nfs/dbraw/zinc/99/88/02/948998802.db2.gz WJNRBUUDNWNIHY-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnc(CNC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)o1 ZINC001574435601 948998814 /nfs/dbraw/zinc/99/88/14/948998814.db2.gz WJNRBUUDNWNIHY-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574926586 949010171 /nfs/dbraw/zinc/01/01/71/949010171.db2.gz AEIFTUFLOICTJX-LBPRGKRZSA-N -1 3 387.448 0.008 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574926586 949010189 /nfs/dbraw/zinc/01/01/89/949010189.db2.gz AEIFTUFLOICTJX-LBPRGKRZSA-N -1 3 387.448 0.008 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cnc2n1CCOC2 ZINC001574691047 949010263 /nfs/dbraw/zinc/01/02/63/949010263.db2.gz SKVORTLRTQHDMK-NSHDSACASA-N -1 3 383.416 0.609 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cnc2n1CCOC2 ZINC001574691047 949010282 /nfs/dbraw/zinc/01/02/82/949010282.db2.gz SKVORTLRTQHDMK-NSHDSACASA-N -1 3 383.416 0.609 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574926648 949010440 /nfs/dbraw/zinc/01/04/40/949010440.db2.gz BSBAYHBQTLYSRW-LBPRGKRZSA-N -1 3 388.476 0.978 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574926648 949010457 /nfs/dbraw/zinc/01/04/57/949010457.db2.gz BSBAYHBQTLYSRW-LBPRGKRZSA-N -1 3 388.476 0.978 20 0 GCADHM CC(C)c1noc(CN[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)n1 ZINC001574439790 949012188 /nfs/dbraw/zinc/01/21/88/949012188.db2.gz IOUQWINNAJSALN-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CN[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)n1 ZINC001574439790 949012204 /nfs/dbraw/zinc/01/22/04/949012204.db2.gz IOUQWINNAJSALN-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCC(=O)N=S(C)(C)=O ZINC001575501875 949016105 /nfs/dbraw/zinc/01/61/05/949016105.db2.gz GRGBNNQAXQHCEX-JTQLQIEISA-N -1 3 379.446 0.823 20 0 GCADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCC(=O)N=S(C)(C)=O ZINC001575501875 949016123 /nfs/dbraw/zinc/01/61/23/949016123.db2.gz GRGBNNQAXQHCEX-JTQLQIEISA-N -1 3 379.446 0.823 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439888 949018803 /nfs/dbraw/zinc/01/88/03/949018803.db2.gz LPAHZDZHRRMHDF-NXEZZACHSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439888 949018823 /nfs/dbraw/zinc/01/88/23/949018823.db2.gz LPAHZDZHRRMHDF-NXEZZACHSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574926896 949026055 /nfs/dbraw/zinc/02/60/55/949026055.db2.gz CTINSJKZNWYFJJ-LBPRGKRZSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574926896 949026034 /nfs/dbraw/zinc/02/60/34/949026034.db2.gz CTINSJKZNWYFJJ-LBPRGKRZSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1)c1cccnc1 ZINC001573775013 949028230 /nfs/dbraw/zinc/02/82/30/949028230.db2.gz RUCMZYYLRAWWFW-CYBMUJFWSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1)c1cccnc1 ZINC001573775013 949028249 /nfs/dbraw/zinc/02/82/49/949028249.db2.gz RUCMZYYLRAWWFW-CYBMUJFWSA-N -1 3 382.428 0.524 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cnn2c1OCCC2 ZINC001574691880 949031725 /nfs/dbraw/zinc/03/17/25/949031725.db2.gz ZESOMODMNGLEPY-LLVKDONJSA-N -1 3 383.416 0.861 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cnn2c1OCCC2 ZINC001574691880 949031749 /nfs/dbraw/zinc/03/17/49/949031749.db2.gz ZESOMODMNGLEPY-LLVKDONJSA-N -1 3 383.416 0.861 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCO1 ZINC001574091793 949032285 /nfs/dbraw/zinc/03/22/85/949032285.db2.gz MBQDEEUFFBBFJS-IAQYHMDHSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCO1 ZINC001574091793 949032305 /nfs/dbraw/zinc/03/23/05/949032305.db2.gz MBQDEEUFFBBFJS-IAQYHMDHSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574440671 949034534 /nfs/dbraw/zinc/03/45/34/949034534.db2.gz BWCJHLZLRFFYBL-GHMZBOCLSA-N -1 3 389.445 0.149 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574440671 949034553 /nfs/dbraw/zinc/03/45/53/949034553.db2.gz BWCJHLZLRFFYBL-GHMZBOCLSA-N -1 3 389.445 0.149 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574927182 949035892 /nfs/dbraw/zinc/03/58/92/949035892.db2.gz GQNDNYFUKHFROS-JTQLQIEISA-N -1 3 386.441 0.670 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574927182 949035877 /nfs/dbraw/zinc/03/58/77/949035877.db2.gz GQNDNYFUKHFROS-JTQLQIEISA-N -1 3 386.441 0.670 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC001575245981 949036481 /nfs/dbraw/zinc/03/64/81/949036481.db2.gz FXEONWNSPYHIFC-GFCCVEGCSA-N -1 3 388.476 0.707 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC001575245981 949036468 /nfs/dbraw/zinc/03/64/68/949036468.db2.gz FXEONWNSPYHIFC-GFCCVEGCSA-N -1 3 388.476 0.707 20 0 GCADHM CC(C)c1nsc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440989 949046220 /nfs/dbraw/zinc/04/62/20/949046220.db2.gz CXPRBAASACQYJR-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001574092194 949048919 /nfs/dbraw/zinc/04/89/19/949048919.db2.gz QRTCVJOSKOOXKU-UONOGXRCSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001574092194 949048940 /nfs/dbraw/zinc/04/89/40/949048940.db2.gz QRTCVJOSKOOXKU-UONOGXRCSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)c1nsc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440987 949049706 /nfs/dbraw/zinc/04/97/06/949049706.db2.gz CXPRBAASACQYJR-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574927857 949050167 /nfs/dbraw/zinc/05/01/67/949050167.db2.gz LWXXVIMBCYBFKL-NSHDSACASA-N -1 3 389.435 0.469 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574441226 949054573 /nfs/dbraw/zinc/05/45/73/949054573.db2.gz IFDJIVGFINJITA-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574441226 949054593 /nfs/dbraw/zinc/05/45/93/949054593.db2.gz IFDJIVGFINJITA-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575247947 949054898 /nfs/dbraw/zinc/05/48/98/949054898.db2.gz MBDWNOISGHVIAU-NSHDSACASA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575247947 949054881 /nfs/dbraw/zinc/05/48/81/949054881.db2.gz MBDWNOISGHVIAU-NSHDSACASA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574693385 949055268 /nfs/dbraw/zinc/05/52/68/949055268.db2.gz GWDVJFPISWOZCT-JTQLQIEISA-N -1 3 385.432 0.472 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575247960 949055388 /nfs/dbraw/zinc/05/53/88/949055388.db2.gz MFBMLIFIFNWRLF-NEPJUHHUSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575247960 949055370 /nfs/dbraw/zinc/05/53/70/949055370.db2.gz MFBMLIFIFNWRLF-NEPJUHHUSA-N -1 3 388.476 0.753 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)n1 ZINC001574441273 949056681 /nfs/dbraw/zinc/05/66/81/949056681.db2.gz IYJAMJOYKYMGTF-MNOVXSKESA-N -1 3 389.445 0.149 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)n1 ZINC001574441273 949056697 /nfs/dbraw/zinc/05/66/97/949056697.db2.gz IYJAMJOYKYMGTF-MNOVXSKESA-N -1 3 389.445 0.149 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574928638 949059366 /nfs/dbraw/zinc/05/93/66/949059366.db2.gz PVHCKSYDWDHGFB-JTQLQIEISA-N -1 3 391.411 0.123 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574928638 949059349 /nfs/dbraw/zinc/05/93/49/949059349.db2.gz PVHCKSYDWDHGFB-JTQLQIEISA-N -1 3 391.411 0.123 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN1Cc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001573779629 949065864 /nfs/dbraw/zinc/06/58/64/949065864.db2.gz KYNZQRQOCAGSOO-CQSZACIVSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573779629 949065876 /nfs/dbraw/zinc/06/58/76/949065876.db2.gz KYNZQRQOCAGSOO-CQSZACIVSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574441675 949069563 /nfs/dbraw/zinc/06/95/63/949069563.db2.gz RXPRBCJEVJQNLZ-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574441675 949069579 /nfs/dbraw/zinc/06/95/79/949069579.db2.gz RXPRBCJEVJQNLZ-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575248294 949071833 /nfs/dbraw/zinc/07/18/33/949071833.db2.gz QKPLNFUXNXYTJW-NEPJUHHUSA-N -1 3 386.460 0.494 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575248294 949071848 /nfs/dbraw/zinc/07/18/48/949071848.db2.gz QKPLNFUXNXYTJW-NEPJUHHUSA-N -1 3 386.460 0.494 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001574694291 949073076 /nfs/dbraw/zinc/07/30/76/949073076.db2.gz NFAVRLKZWRFNJY-VIFPVBQESA-N -1 3 391.450 0.248 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001574694291 949073090 /nfs/dbraw/zinc/07/30/90/949073090.db2.gz NFAVRLKZWRFNJY-VIFPVBQESA-N -1 3 391.450 0.248 20 0 GCADHM C[C@H](CNC(=O)CN1Cc2ccccc2C1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574929009 949073415 /nfs/dbraw/zinc/07/34/15/949073415.db2.gz VMZHBTLGPIESOX-GFCCVEGCSA-N -1 3 392.423 0.834 20 0 GCADHM C[C@H](CNC(=O)CN1Cc2ccccc2C1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574929009 949073402 /nfs/dbraw/zinc/07/34/02/949073402.db2.gz VMZHBTLGPIESOX-GFCCVEGCSA-N -1 3 392.423 0.834 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)C(F)F ZINC001573780203 949079316 /nfs/dbraw/zinc/07/93/16/949079316.db2.gz SHWXXWCSSNQNPN-INIZCTEOSA-N -1 3 381.387 0.610 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)C(F)F ZINC001573780203 949079326 /nfs/dbraw/zinc/07/93/26/949079326.db2.gz SHWXXWCSSNQNPN-INIZCTEOSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575248779 949082094 /nfs/dbraw/zinc/08/20/94/949082094.db2.gz VOVWNSRDGXTFPB-SNVBAGLBSA-N -1 3 392.439 0.504 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575248779 949082113 /nfs/dbraw/zinc/08/21/13/949082113.db2.gz VOVWNSRDGXTFPB-SNVBAGLBSA-N -1 3 392.439 0.504 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573780227 949083892 /nfs/dbraw/zinc/08/38/92/949083892.db2.gz TURIRGYEEBQVAB-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573780227 949083911 /nfs/dbraw/zinc/08/39/11/949083911.db2.gz TURIRGYEEBQVAB-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573780257 949085998 /nfs/dbraw/zinc/08/59/98/949085998.db2.gz UMQDJJFEDCPYGB-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573780257 949086018 /nfs/dbraw/zinc/08/60/18/949086018.db2.gz UMQDJJFEDCPYGB-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574929291 949086165 /nfs/dbraw/zinc/08/61/65/949086165.db2.gz CGIOZYFSYMRMPV-LLVKDONJSA-N -1 3 384.400 0.496 20 0 GCADHM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574929291 949086187 /nfs/dbraw/zinc/08/61/87/949086187.db2.gz CGIOZYFSYMRMPV-LLVKDONJSA-N -1 3 384.400 0.496 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1c[nH]cn1 ZINC001573780318 949088218 /nfs/dbraw/zinc/08/82/18/949088218.db2.gz WDCPSYYJAJWHNX-LLVKDONJSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574092955 949090018 /nfs/dbraw/zinc/09/00/18/949090018.db2.gz QNBAWNCMPIAGFK-OLZOCXBDSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574092955 949090037 /nfs/dbraw/zinc/09/00/37/949090037.db2.gz QNBAWNCMPIAGFK-OLZOCXBDSA-N -1 3 375.433 0.038 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575504913 949091758 /nfs/dbraw/zinc/09/17/58/949091758.db2.gz YWDRPQGQCVLZSC-CHWSQXEVSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575504913 949091779 /nfs/dbraw/zinc/09/17/79/949091779.db2.gz YWDRPQGQCVLZSC-CHWSQXEVSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574929468 949091985 /nfs/dbraw/zinc/09/19/85/949091985.db2.gz DVYHRUOSLJCUTC-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574929468 949092003 /nfs/dbraw/zinc/09/20/03/949092003.db2.gz DVYHRUOSLJCUTC-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001575504878 949092505 /nfs/dbraw/zinc/09/25/05/949092505.db2.gz WAGVIFPJRPBTKK-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575504916 949092548 /nfs/dbraw/zinc/09/25/48/949092548.db2.gz YWDRPQGQCVLZSC-STQMWFEESA-N -1 3 380.412 0.819 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575504916 949092565 /nfs/dbraw/zinc/09/25/65/949092565.db2.gz YWDRPQGQCVLZSC-STQMWFEESA-N -1 3 380.412 0.819 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574929492 949094935 /nfs/dbraw/zinc/09/49/35/949094935.db2.gz FFHJCIMGNMNMEG-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574929492 949094914 /nfs/dbraw/zinc/09/49/14/949094914.db2.gz FFHJCIMGNMNMEG-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM CC(C)c1noc(CN[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574442422 949095089 /nfs/dbraw/zinc/09/50/89/949095089.db2.gz OBNQPEAEZZPAPX-UMSPYCQHSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)(C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573780388 949095624 /nfs/dbraw/zinc/09/56/24/949095624.db2.gz XWIPVNPQDYOQOR-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573780388 949095650 /nfs/dbraw/zinc/09/56/50/949095650.db2.gz XWIPVNPQDYOQOR-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575505087 949106391 /nfs/dbraw/zinc/10/63/91/949106391.db2.gz ZOEUDVCTIRJNGU-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575505087 949106399 /nfs/dbraw/zinc/10/63/99/949106399.db2.gz ZOEUDVCTIRJNGU-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574931057 949109697 /nfs/dbraw/zinc/10/96/97/949109697.db2.gz MYPBUFBEPFQKES-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574931057 949109712 /nfs/dbraw/zinc/10/97/12/949109712.db2.gz MYPBUFBEPFQKES-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574443461 949109887 /nfs/dbraw/zinc/10/98/87/949109887.db2.gz YQFHRABDSNTZGG-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574443461 949109900 /nfs/dbraw/zinc/10/99/00/949109900.db2.gz YQFHRABDSNTZGG-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)C(N)=O ZINC001575509451 949110466 /nfs/dbraw/zinc/11/04/66/949110466.db2.gz CDWYCNQPUSIPDS-HZMBPMFUSA-N -1 3 387.425 0.198 20 0 GCADHM C[C@@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)C(N)=O ZINC001575509451 949110476 /nfs/dbraw/zinc/11/04/76/949110476.db2.gz CDWYCNQPUSIPDS-HZMBPMFUSA-N -1 3 387.425 0.198 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)n1cncn1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575250320 949110772 /nfs/dbraw/zinc/11/07/72/949110772.db2.gz DRHDUISALRWWMC-MNOVXSKESA-N -1 3 387.473 0.717 20 0 GCADHM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ncccc1-c1nn[n-]n1 ZINC001574931162 949113306 /nfs/dbraw/zinc/11/33/06/949113306.db2.gz NYCXOTKRPVRORI-NSHDSACASA-N -1 3 384.400 0.496 20 0 GCADHM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ncccc1-c1nnn[n-]1 ZINC001574931162 949113297 /nfs/dbraw/zinc/11/32/97/949113297.db2.gz NYCXOTKRPVRORI-NSHDSACASA-N -1 3 384.400 0.496 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)n1cccc1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575250356 949113401 /nfs/dbraw/zinc/11/34/01/949113401.db2.gz FGCGHDIQIWNCCP-VXGBXAGGSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)n1cccc1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575250356 949113410 /nfs/dbraw/zinc/11/34/10/949113410.db2.gz FGCGHDIQIWNCCP-VXGBXAGGSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575250360 949114515 /nfs/dbraw/zinc/11/45/15/949114515.db2.gz FKZXQRNSKGKISR-VXGBXAGGSA-N -1 3 392.485 0.236 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573782072 949114757 /nfs/dbraw/zinc/11/47/57/949114757.db2.gz PZIMHPKCHIAPFV-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573782072 949114774 /nfs/dbraw/zinc/11/47/74/949114774.db2.gz PZIMHPKCHIAPFV-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573782384 949121693 /nfs/dbraw/zinc/12/16/93/949121693.db2.gz TXMDQLWUMQCBCV-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573782384 949121703 /nfs/dbraw/zinc/12/17/03/949121703.db2.gz TXMDQLWUMQCBCV-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574446270 949125709 /nfs/dbraw/zinc/12/57/09/949125709.db2.gz MLRCSILJDLMPBN-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574446270 949125724 /nfs/dbraw/zinc/12/57/24/949125724.db2.gz MLRCSILJDLMPBN-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574094006 949128835 /nfs/dbraw/zinc/12/88/35/949128835.db2.gz UVMQQERYMWRJHF-NWDGAFQWSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574094006 949128847 /nfs/dbraw/zinc/12/88/47/949128847.db2.gz UVMQQERYMWRJHF-NWDGAFQWSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@](CNC(=O)COCC1CC1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574932161 949129318 /nfs/dbraw/zinc/12/93/18/949129318.db2.gz VJVDUWXWYFMKQK-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)COCC1CC1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574932161 949129303 /nfs/dbraw/zinc/12/93/03/949129303.db2.gz VJVDUWXWYFMKQK-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574932095 949130713 /nfs/dbraw/zinc/13/07/13/949130713.db2.gz UZZZUXMZVBEVQD-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574932095 949130704 /nfs/dbraw/zinc/13/07/04/949130704.db2.gz UZZZUXMZVBEVQD-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575251483 949140365 /nfs/dbraw/zinc/14/03/65/949140365.db2.gz NOVGYXYDUGIJHM-QWRGUYRKSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575251483 949140376 /nfs/dbraw/zinc/14/03/76/949140376.db2.gz NOVGYXYDUGIJHM-QWRGUYRKSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575251482 949141704 /nfs/dbraw/zinc/14/17/04/949141704.db2.gz NOVGYXYDUGIJHM-MNOVXSKESA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575251482 949141715 /nfs/dbraw/zinc/14/17/15/949141715.db2.gz NOVGYXYDUGIJHM-MNOVXSKESA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1nc2ncc(CCO)cn2n1 ZINC001575512715 949141859 /nfs/dbraw/zinc/14/18/59/949141859.db2.gz OTCAKERRISUYTC-NSHDSACASA-N -1 3 393.411 0.672 20 0 GCADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1nc2ncc(CCO)cn2n1 ZINC001575512715 949141868 /nfs/dbraw/zinc/14/18/68/949141868.db2.gz OTCAKERRISUYTC-NSHDSACASA-N -1 3 393.411 0.672 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574932398 949142542 /nfs/dbraw/zinc/14/25/42/949142542.db2.gz ZJRVVVRYIQKOJK-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574932398 949142556 /nfs/dbraw/zinc/14/25/56/949142556.db2.gz ZJRVVVRYIQKOJK-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602793191 971554220 /nfs/dbraw/zinc/55/42/20/971554220.db2.gz TVANWCKYRWYAMT-PJHJGJPPSA-N -1 3 376.409 0.364 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574446914 949144213 /nfs/dbraw/zinc/14/42/13/949144213.db2.gz ASLRUQQQWBJLPS-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574446914 949144224 /nfs/dbraw/zinc/14/42/24/949144224.db2.gz ASLRUQQQWBJLPS-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934028 949146541 /nfs/dbraw/zinc/14/65/41/949146541.db2.gz ASEDVJDUSMXLAN-JTQLQIEISA-N -1 3 389.441 0.817 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934028 949146552 /nfs/dbraw/zinc/14/65/52/949146552.db2.gz ASEDVJDUSMXLAN-JTQLQIEISA-N -1 3 389.441 0.817 20 0 GCADHM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574934338 949153560 /nfs/dbraw/zinc/15/35/60/949153560.db2.gz FMLRECFGCLRCAJ-GFCCVEGCSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574934338 949153573 /nfs/dbraw/zinc/15/35/73/949153573.db2.gz FMLRECFGCLRCAJ-GFCCVEGCSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001575513907 949156177 /nfs/dbraw/zinc/15/61/77/949156177.db2.gz UJCOLMSLJRECSA-SNVBAGLBSA-N -1 3 389.441 0.686 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001575513907 949156192 /nfs/dbraw/zinc/15/61/92/949156192.db2.gz UJCOLMSLJRECSA-SNVBAGLBSA-N -1 3 389.441 0.686 20 0 GCADHM CC(C)c1ocnc1C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574447477 949160397 /nfs/dbraw/zinc/16/03/97/949160397.db2.gz PKGKAVSZIQEWAO-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1ocnc1C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574447477 949160411 /nfs/dbraw/zinc/16/04/11/949160411.db2.gz PKGKAVSZIQEWAO-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1ocnc1C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574447513 949160746 /nfs/dbraw/zinc/16/07/46/949160746.db2.gz QVHOZASAIOWFBM-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1ocnc1C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574447513 949160757 /nfs/dbraw/zinc/16/07/57/949160757.db2.gz QVHOZASAIOWFBM-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574447497 949162438 /nfs/dbraw/zinc/16/24/38/949162438.db2.gz QAOMSQSGWBGXNB-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574447497 949162451 /nfs/dbraw/zinc/16/24/51/949162451.db2.gz QAOMSQSGWBGXNB-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574934474 949163646 /nfs/dbraw/zinc/16/36/46/949163646.db2.gz IWNAACOQPKXPQV-LLVKDONJSA-N -1 3 381.462 0.026 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574934474 949163664 /nfs/dbraw/zinc/16/36/64/949163664.db2.gz IWNAACOQPKXPQV-LLVKDONJSA-N -1 3 381.462 0.026 20 0 GCADHM CC(C)CC(=O)N(CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574098887 949164968 /nfs/dbraw/zinc/16/49/68/949164968.db2.gz HFCQZHJDJSXPGV-AWEZNQCLSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N(CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574098887 949164979 /nfs/dbraw/zinc/16/49/79/949164979.db2.gz HFCQZHJDJSXPGV-AWEZNQCLSA-N -1 3 389.460 0.666 20 0 GCADHM C[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ncon1 ZINC001574934601 949167877 /nfs/dbraw/zinc/16/78/77/949167877.db2.gz LUYCKDAKUUGJSH-SNVBAGLBSA-N -1 3 391.413 0.084 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252798 949172491 /nfs/dbraw/zinc/17/24/91/949172491.db2.gz RHRSSBDROWCXCH-KCJUWKMLSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252798 949172503 /nfs/dbraw/zinc/17/25/03/949172503.db2.gz RHRSSBDROWCXCH-KCJUWKMLSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575514898 949175048 /nfs/dbraw/zinc/17/50/48/949175048.db2.gz ZVVVJGYWHAKIPA-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575514898 949175060 /nfs/dbraw/zinc/17/50/60/949175060.db2.gz ZVVVJGYWHAKIPA-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](c1cccc(F)c1)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001575514899 949177813 /nfs/dbraw/zinc/17/78/13/949177813.db2.gz ZVVVJGYWHAKIPA-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](c1cccc(F)c1)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001575514899 949177823 /nfs/dbraw/zinc/17/78/23/949177823.db2.gz ZVVVJGYWHAKIPA-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575253105 949179501 /nfs/dbraw/zinc/17/95/01/949179501.db2.gz ILOYDODGHVYXCM-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575253105 949179489 /nfs/dbraw/zinc/17/94/89/949179489.db2.gz ILOYDODGHVYXCM-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575253175 949183250 /nfs/dbraw/zinc/18/32/50/949183250.db2.gz SSZZPWZXKUXCEG-LDYMZIIASA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575253175 949183244 /nfs/dbraw/zinc/18/32/44/949183244.db2.gz SSZZPWZXKUXCEG-LDYMZIIASA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934890 949184343 /nfs/dbraw/zinc/18/43/43/949184343.db2.gz UHITYQBXMPXISB-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934890 949184359 /nfs/dbraw/zinc/18/43/59/949184359.db2.gz UHITYQBXMPXISB-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574935085 949190305 /nfs/dbraw/zinc/19/03/05/949190305.db2.gz YRPZAZPJJZERJY-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574935085 949190325 /nfs/dbraw/zinc/19/03/25/949190325.db2.gz YRPZAZPJJZERJY-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCC1)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575254150 949197483 /nfs/dbraw/zinc/19/74/83/949197483.db2.gz LOYGDZHJSCCBAQ-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCC1)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575254150 949197474 /nfs/dbraw/zinc/19/74/74/949197474.db2.gz LOYGDZHJSCCBAQ-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573788539 949199579 /nfs/dbraw/zinc/19/95/79/949199579.db2.gz LUMXEFGXOOXLFS-SNVBAGLBSA-N -1 3 392.851 0.512 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573788539 949199586 /nfs/dbraw/zinc/19/95/86/949199586.db2.gz LUMXEFGXOOXLFS-SNVBAGLBSA-N -1 3 392.851 0.512 20 0 GCADHM CC(C)c1oncc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001574449913 949206061 /nfs/dbraw/zinc/20/60/61/949206061.db2.gz VQSAYSRKBJJAAS-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM CC(C)c1oncc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001574449913 949206074 /nfs/dbraw/zinc/20/60/74/949206074.db2.gz VQSAYSRKBJJAAS-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)CC1 ZINC001573788751 949210198 /nfs/dbraw/zinc/21/01/98/949210198.db2.gz VXEGWULESYGZKJ-UHFFFAOYSA-N -1 3 382.428 0.370 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)CC1 ZINC001573788751 949210224 /nfs/dbraw/zinc/21/02/24/949210224.db2.gz VXEGWULESYGZKJ-UHFFFAOYSA-N -1 3 382.428 0.370 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(F)cn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574936242 949211327 /nfs/dbraw/zinc/21/13/27/949211327.db2.gz INMNWNOKFCGCEE-JTQLQIEISA-N -1 3 386.391 0.454 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(F)cn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574936242 949211349 /nfs/dbraw/zinc/21/13/49/949211349.db2.gz INMNWNOKFCGCEE-JTQLQIEISA-N -1 3 386.391 0.454 20 0 GCADHM C[C@H](CNC(=O)Cc1cc(F)ccc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574936676 949214536 /nfs/dbraw/zinc/21/45/36/949214536.db2.gz JYSYVVXTSNBRTP-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1cc(F)ccc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574936676 949214555 /nfs/dbraw/zinc/21/45/55/949214555.db2.gz JYSYVVXTSNBRTP-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM CC1(Nc2ncccc2-c2nnn[n-]2)CCN(C(=O)CN2CCCC2=O)CC1 ZINC001575853344 949216024 /nfs/dbraw/zinc/21/60/24/949216024.db2.gz PQRSJMBIKUONTF-UHFFFAOYSA-N -1 3 384.444 0.677 20 0 GCADHM CC1(Nc2ncccc2-c2nn[n-]n2)CCN(C(=O)CN2CCCC2=O)CC1 ZINC001575853344 949216043 /nfs/dbraw/zinc/21/60/43/949216043.db2.gz PQRSJMBIKUONTF-UHFFFAOYSA-N -1 3 384.444 0.677 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574451143 949217326 /nfs/dbraw/zinc/21/73/26/949217326.db2.gz DNVUZZWYNFLXHD-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574451143 949217350 /nfs/dbraw/zinc/21/73/50/949217350.db2.gz DNVUZZWYNFLXHD-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575255087 949220409 /nfs/dbraw/zinc/22/04/09/949220409.db2.gz YBFOPWJEVDJLPP-DRZSPHRISA-N -1 3 386.460 0.872 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575255087 949220431 /nfs/dbraw/zinc/22/04/31/949220431.db2.gz YBFOPWJEVDJLPP-DRZSPHRISA-N -1 3 386.460 0.872 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574451248 949223050 /nfs/dbraw/zinc/22/30/50/949223050.db2.gz IDNPQQNVRXLNQS-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574451248 949223067 /nfs/dbraw/zinc/22/30/67/949223067.db2.gz IDNPQQNVRXLNQS-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCN(C(=O)Cn2cncn2)CC1 ZINC001575854005 949226369 /nfs/dbraw/zinc/22/63/69/949226369.db2.gz YFGYCCPQPLSGEI-UHFFFAOYSA-N -1 3 386.395 0.486 20 0 GCADHM CC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCN(C(=O)Cn2cncn2)CC1 ZINC001575854005 949226388 /nfs/dbraw/zinc/22/63/88/949226388.db2.gz YFGYCCPQPLSGEI-UHFFFAOYSA-N -1 3 386.395 0.486 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575255216 949226582 /nfs/dbraw/zinc/22/65/82/949226582.db2.gz YMWPRQZRKPKQBJ-OLZOCXBDSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575255216 949226604 /nfs/dbraw/zinc/22/66/04/949226604.db2.gz YMWPRQZRKPKQBJ-OLZOCXBDSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576151543 949226879 /nfs/dbraw/zinc/22/68/79/949226879.db2.gz GJLKEHVVDLQHFF-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576151543 949226897 /nfs/dbraw/zinc/22/68/97/949226897.db2.gz GJLKEHVVDLQHFF-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](CNC(=O)Cc1cc(F)ccc1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574937755 949230385 /nfs/dbraw/zinc/23/03/85/949230385.db2.gz QICTWFMUBVZTHE-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1cc(F)ccc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574937755 949230403 /nfs/dbraw/zinc/23/04/03/949230403.db2.gz QICTWFMUBVZTHE-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575255433 949231828 /nfs/dbraw/zinc/23/18/28/949231828.db2.gz QCRDHYNERCXKER-SNVBAGLBSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575255433 949231849 /nfs/dbraw/zinc/23/18/49/949231849.db2.gz QCRDHYNERCXKER-SNVBAGLBSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574699401 949233990 /nfs/dbraw/zinc/23/39/90/949233990.db2.gz ULXVYIQTLCSQEO-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574699401 949234007 /nfs/dbraw/zinc/23/40/07/949234007.db2.gz ULXVYIQTLCSQEO-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](NC(=O)[C@@]1(F)CCOC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575255567 949237254 /nfs/dbraw/zinc/23/72/54/949237254.db2.gz RAWWMQSPGFKZRN-QLJPJBMISA-N -1 3 380.449 0.993 20 0 GCADHM C[C@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575256123 949241374 /nfs/dbraw/zinc/24/13/74/949241374.db2.gz STLLNDNXEHAMJS-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575256123 949241395 /nfs/dbraw/zinc/24/13/95/949241395.db2.gz STLLNDNXEHAMJS-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576152327 949247752 /nfs/dbraw/zinc/24/77/52/949247752.db2.gz INVUOLRUUDMQDD-PIGZYNQJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576152327 949247771 /nfs/dbraw/zinc/24/77/71/949247771.db2.gz INVUOLRUUDMQDD-PIGZYNQJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521531 949255905 /nfs/dbraw/zinc/25/59/05/949255905.db2.gz GHVXFYMKPNHOMS-GHMZBOCLSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521531 949255927 /nfs/dbraw/zinc/25/59/27/949255927.db2.gz GHVXFYMKPNHOMS-GHMZBOCLSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576152657 949261639 /nfs/dbraw/zinc/26/16/39/949261639.db2.gz KBVXPAYFWOPUGZ-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576152657 949261663 /nfs/dbraw/zinc/26/16/63/949261663.db2.gz KBVXPAYFWOPUGZ-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001574452495 949263337 /nfs/dbraw/zinc/26/33/37/949263337.db2.gz LDEGKZIGVRWIRS-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001574452495 949263358 /nfs/dbraw/zinc/26/33/58/949263358.db2.gz LDEGKZIGVRWIRS-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576152858 949264056 /nfs/dbraw/zinc/26/40/56/949264056.db2.gz KCMHFWKVSDFMDW-PIGZYNQJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576152858 949264075 /nfs/dbraw/zinc/26/40/75/949264075.db2.gz KCMHFWKVSDFMDW-PIGZYNQJSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573792881 949271600 /nfs/dbraw/zinc/27/16/00/949271600.db2.gz HJKKZOISXGYZFO-WDEREUQCSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573792881 949271619 /nfs/dbraw/zinc/27/16/19/949271619.db2.gz HJKKZOISXGYZFO-WDEREUQCSA-N -1 3 387.444 0.825 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153146 949273301 /nfs/dbraw/zinc/27/33/01/949273301.db2.gz KXKQFTVBFDBZBQ-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153146 949273326 /nfs/dbraw/zinc/27/33/26/949273326.db2.gz KXKQFTVBFDBZBQ-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153149 949273820 /nfs/dbraw/zinc/27/38/20/949273820.db2.gz KYBVLRQWCKZCDF-OCCSQVGLSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153149 949273836 /nfs/dbraw/zinc/27/38/36/949273836.db2.gz KYBVLRQWCKZCDF-OCCSQVGLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2ncccc2-c2nnn[n-]2)cn1 ZINC001574452963 949276392 /nfs/dbraw/zinc/27/63/92/949276392.db2.gz SRTQRSGPXJMIQJ-CYBMUJFWSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2ncccc2-c2nn[n-]n2)cn1 ZINC001574452963 949276414 /nfs/dbraw/zinc/27/64/14/949276414.db2.gz SRTQRSGPXJMIQJ-CYBMUJFWSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)CC(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574106738 949277660 /nfs/dbraw/zinc/27/76/60/949277660.db2.gz GOMUTRJLQPNOTN-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574106738 949277684 /nfs/dbraw/zinc/27/76/84/949277684.db2.gz GOMUTRJLQPNOTN-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)cn1 ZINC001574453142 949278057 /nfs/dbraw/zinc/27/80/57/949278057.db2.gz XCMUMRUCEJLKTF-GFCCVEGCSA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)cn1 ZINC001574453142 949278074 /nfs/dbraw/zinc/27/80/74/949278074.db2.gz XCMUMRUCEJLKTF-GFCCVEGCSA-N -1 3 389.395 0.381 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576153179 949281043 /nfs/dbraw/zinc/28/10/43/949281043.db2.gz LEOMLQRZODJLPQ-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576153179 949281070 /nfs/dbraw/zinc/28/10/70/949281070.db2.gz LEOMLQRZODJLPQ-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575522904 949282163 /nfs/dbraw/zinc/28/21/63/949282163.db2.gz NIXDCALZWRHBAV-NEPJUHHUSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574702413 949282427 /nfs/dbraw/zinc/28/24/27/949282427.db2.gz ITQDSUUZNFBSIO-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574702413 949282447 /nfs/dbraw/zinc/28/24/47/949282447.db2.gz ITQDSUUZNFBSIO-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](c1csnn1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575522867 949282287 /nfs/dbraw/zinc/28/22/87/949282287.db2.gz MZICEMQSEIYEIR-IMSIIYSGSA-N -1 3 385.457 0.954 20 0 GCADHM C[C@@H](c1csnn1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575522867 949282307 /nfs/dbraw/zinc/28/23/07/949282307.db2.gz MZICEMQSEIYEIR-IMSIIYSGSA-N -1 3 385.457 0.954 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576153449 949284126 /nfs/dbraw/zinc/28/41/26/949284126.db2.gz MEDYTHOJTOKXED-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576153449 949284152 /nfs/dbraw/zinc/28/41/52/949284152.db2.gz MEDYTHOJTOKXED-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM CC1=C(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860013 949286615 /nfs/dbraw/zinc/28/66/15/949286615.db2.gz AOYGTIKPPUCMAU-BJHJDKERSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860013 949286644 /nfs/dbraw/zinc/28/66/44/949286644.db2.gz AOYGTIKPPUCMAU-BJHJDKERSA-N -1 3 385.428 0.904 20 0 GCADHM CC(C)n1cc(CNC(=O)COc2ccccc2-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001574454728 949286544 /nfs/dbraw/zinc/28/65/44/949286544.db2.gz BGUVVVKKPXHHDM-UHFFFAOYSA-N -1 3 385.384 0.405 20 0 GCADHM CC(C)n1cc(CNC(=O)COc2ccccc2-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001574454728 949286563 /nfs/dbraw/zinc/28/65/63/949286563.db2.gz BGUVVVKKPXHHDM-UHFFFAOYSA-N -1 3 385.384 0.405 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)cn1 ZINC001574454787 949288147 /nfs/dbraw/zinc/28/81/47/949288147.db2.gz DVTYTBRDAOIDHC-FICVDOATSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)cn1 ZINC001574454787 949288165 /nfs/dbraw/zinc/28/81/65/949288165.db2.gz DVTYTBRDAOIDHC-FICVDOATSA-N -1 3 379.428 0.904 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)CCCO1 ZINC001575860016 949288260 /nfs/dbraw/zinc/28/82/60/949288260.db2.gz AZDLCSWRASJHDU-BMIGLBTASA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)CCCO1 ZINC001575860016 949288276 /nfs/dbraw/zinc/28/82/76/949288276.db2.gz AZDLCSWRASJHDU-BMIGLBTASA-N -1 3 385.428 0.856 20 0 GCADHM C[C@@H](NC(=O)C1CC=CC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575258115 949290946 /nfs/dbraw/zinc/29/09/46/949290946.db2.gz DZGVXEIXVKUACT-ABAIWWIYSA-N -1 3 385.428 0.507 20 0 GCADHM C[C@@H](NC(=O)C1CC=CC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575258115 949290964 /nfs/dbraw/zinc/29/09/64/949290964.db2.gz DZGVXEIXVKUACT-ABAIWWIYSA-N -1 3 385.428 0.507 20 0 GCADHM CC1=C(C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)CC1 ZINC001575860086 949291550 /nfs/dbraw/zinc/29/15/50/949291550.db2.gz CVPCKAWVPXDEGM-WQVCFCJDSA-N -1 3 399.455 0.633 20 0 GCADHM CC1=C(C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)CC1 ZINC001575860086 949291571 /nfs/dbraw/zinc/29/15/71/949291571.db2.gz CVPCKAWVPXDEGM-WQVCFCJDSA-N -1 3 399.455 0.633 20 0 GCADHM C[C@H](c1ncccn1)N(C)CCOCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575523470 949293413 /nfs/dbraw/zinc/29/34/13/949293413.db2.gz QFNAWFVTBRPEFB-GFCCVEGCSA-N -1 3 385.432 0.424 20 0 GCADHM C[C@H](c1ncccn1)N(C)CCOCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575523470 949293432 /nfs/dbraw/zinc/29/34/32/949293432.db2.gz QFNAWFVTBRPEFB-GFCCVEGCSA-N -1 3 385.432 0.424 20 0 GCADHM C[C@H](NC(=O)C1CC=CC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575258118 949293631 /nfs/dbraw/zinc/29/36/31/949293631.db2.gz DZGVXEIXVKUACT-NHYWBVRUSA-N -1 3 385.428 0.507 20 0 GCADHM C[C@H](NC(=O)C1CC=CC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575258118 949293653 /nfs/dbraw/zinc/29/36/53/949293653.db2.gz DZGVXEIXVKUACT-NHYWBVRUSA-N -1 3 385.428 0.507 20 0 GCADHM CC(C)(C)C(=O)C(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573793703 949302911 /nfs/dbraw/zinc/30/29/11/949302911.db2.gz WKRJTVWXOXPHKI-UHFFFAOYSA-N -1 3 385.428 0.485 20 0 GCADHM CC(C)(C)C(=O)C(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573793703 949302938 /nfs/dbraw/zinc/30/29/38/949302938.db2.gz WKRJTVWXOXPHKI-UHFFFAOYSA-N -1 3 385.428 0.485 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574455614 949303077 /nfs/dbraw/zinc/30/30/77/949303077.db2.gz RSMRCMXBNGYEFA-JTQLQIEISA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574455614 949303099 /nfs/dbraw/zinc/30/30/99/949303099.db2.gz RSMRCMXBNGYEFA-JTQLQIEISA-N -1 3 384.404 0.012 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001575523880 949304281 /nfs/dbraw/zinc/30/42/81/949304281.db2.gz RHLBHWVOULMAOQ-MFKMUULPSA-N -1 3 384.448 0.525 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001575523880 949304315 /nfs/dbraw/zinc/30/43/15/949304315.db2.gz RHLBHWVOULMAOQ-MFKMUULPSA-N -1 3 384.448 0.525 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153861 949306857 /nfs/dbraw/zinc/30/68/57/949306857.db2.gz NNMXPIVWEQIGKZ-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153861 949306880 /nfs/dbraw/zinc/30/68/80/949306880.db2.gz NNMXPIVWEQIGKZ-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)n1cc(CN2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001574455628 949307358 /nfs/dbraw/zinc/30/73/58/949307358.db2.gz SLYZKNVQTDXQHN-GFCCVEGCSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1cc(CN2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001574455628 949307373 /nfs/dbraw/zinc/30/73/73/949307373.db2.gz SLYZKNVQTDXQHN-GFCCVEGCSA-N -1 3 384.448 0.619 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575524084 949308700 /nfs/dbraw/zinc/30/87/00/949308700.db2.gz GJKUPHCNEUBNSX-VHSXEESVSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575524084 949308723 /nfs/dbraw/zinc/30/87/23/949308723.db2.gz GJKUPHCNEUBNSX-VHSXEESVSA-N -1 3 383.420 0.082 20 0 GCADHM CC(C)n1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001574455758 949308861 /nfs/dbraw/zinc/30/88/61/949308861.db2.gz WXEOGMOBBBEBAG-JYAVWHMHSA-N -1 3 382.432 0.227 20 0 GCADHM CC(C)n1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001574455758 949308866 /nfs/dbraw/zinc/30/88/66/949308866.db2.gz WXEOGMOBBBEBAG-JYAVWHMHSA-N -1 3 382.432 0.227 20 0 GCADHM C[C@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574941525 949310467 /nfs/dbraw/zinc/31/04/67/949310467.db2.gz RMWJOAXTEMEIFR-GOSISDBHSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574941525 949310490 /nfs/dbraw/zinc/31/04/90/949310490.db2.gz RMWJOAXTEMEIFR-GOSISDBHSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574703056 949310747 /nfs/dbraw/zinc/31/07/47/949310747.db2.gz PYRVWCVTAVILGD-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574703056 949310768 /nfs/dbraw/zinc/31/07/68/949310768.db2.gz PYRVWCVTAVILGD-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)CCCO1 ZINC001575860624 949310767 /nfs/dbraw/zinc/31/07/67/949310767.db2.gz KBTFPKNGTVBSPJ-ZUZCIYMTSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)CCCO1 ZINC001575860624 949310787 /nfs/dbraw/zinc/31/07/87/949310787.db2.gz KBTFPKNGTVBSPJ-ZUZCIYMTSA-N -1 3 385.428 0.856 20 0 GCADHM CC(C)n1cc(CN2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574455776 949311285 /nfs/dbraw/zinc/31/12/85/949311285.db2.gz XUSPTBUSYZTUHB-GFCCVEGCSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574455776 949311305 /nfs/dbraw/zinc/31/13/05/949311305.db2.gz XUSPTBUSYZTUHB-GFCCVEGCSA-N -1 3 384.448 0.762 20 0 GCADHM CC1=C(C(=O)N[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCO1 ZINC001575860727 949311231 /nfs/dbraw/zinc/31/12/31/949311231.db2.gz LHHAMFYPRQJHNG-OAHLLOKOSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)N[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCO1 ZINC001575860727 949311256 /nfs/dbraw/zinc/31/12/56/949311256.db2.gz LHHAMFYPRQJHNG-OAHLLOKOSA-N -1 3 385.428 0.904 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001574455679 949311343 /nfs/dbraw/zinc/31/13/43/949311343.db2.gz WODCXIFHWNIYJV-BETUJISGSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001574455679 949311359 /nfs/dbraw/zinc/31/13/59/949311359.db2.gz WODCXIFHWNIYJV-BETUJISGSA-N -1 3 383.416 0.663 20 0 GCADHM CC1=C(C(=O)N2CC([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575860951 949312475 /nfs/dbraw/zinc/31/24/75/949312475.db2.gz OFHJQPCYBXAATG-JTQLQIEISA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N2CC([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575860951 949312497 /nfs/dbraw/zinc/31/24/97/949312497.db2.gz OFHJQPCYBXAATG-JTQLQIEISA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N(C)[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575860943 949312546 /nfs/dbraw/zinc/31/25/46/949312546.db2.gz NUCGXDUNMDPVQM-GFCCVEGCSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N(C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575860943 949312563 /nfs/dbraw/zinc/31/25/63/949312563.db2.gz NUCGXDUNMDPVQM-GFCCVEGCSA-N -1 3 385.428 0.952 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576154131 949315059 /nfs/dbraw/zinc/31/50/59/949315059.db2.gz NSCQJJZMVYBWPB-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576154131 949315090 /nfs/dbraw/zinc/31/50/90/949315090.db2.gz NSCQJJZMVYBWPB-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573794712 949317113 /nfs/dbraw/zinc/31/71/13/949317113.db2.gz HYWNNLUAPNSHNL-OAHLLOKOSA-N -1 3 386.456 0.799 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573794712 949317135 /nfs/dbraw/zinc/31/71/35/949317135.db2.gz HYWNNLUAPNSHNL-OAHLLOKOSA-N -1 3 386.456 0.799 20 0 GCADHM CC1(C(=O)N(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCOCC1 ZINC001575524433 949317238 /nfs/dbraw/zinc/31/72/38/949317238.db2.gz IUIDCUFHNACTMW-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCOCC1 ZINC001575524433 949317264 /nfs/dbraw/zinc/31/72/64/949317264.db2.gz IUIDCUFHNACTMW-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](c1ncccn1)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575524607 949319982 /nfs/dbraw/zinc/31/99/82/949319982.db2.gz UYNTVKWAFLPDGR-LBPRGKRZSA-N -1 3 379.428 0.894 20 0 GCADHM C[C@@H](c1ncccn1)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575524607 949320003 /nfs/dbraw/zinc/32/00/03/949320003.db2.gz UYNTVKWAFLPDGR-LBPRGKRZSA-N -1 3 379.428 0.894 20 0 GCADHM C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575259400 949322141 /nfs/dbraw/zinc/32/21/41/949322141.db2.gz NYCHYHXJTLXCSR-AAEUAGOBSA-N -1 3 385.428 0.508 20 0 GCADHM C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575259400 949322161 /nfs/dbraw/zinc/32/21/61/949322161.db2.gz NYCHYHXJTLXCSR-AAEUAGOBSA-N -1 3 385.428 0.508 20 0 GCADHM C[C@@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575524492 949324762 /nfs/dbraw/zinc/32/47/62/949324762.db2.gz TWTHKKBGEMJTHT-SLEUVZQESA-N -1 3 379.428 0.892 20 0 GCADHM C[C@@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575524492 949324786 /nfs/dbraw/zinc/32/47/86/949324786.db2.gz TWTHKKBGEMJTHT-SLEUVZQESA-N -1 3 379.428 0.892 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524905 949325850 /nfs/dbraw/zinc/32/58/50/949325850.db2.gz KXIHSAWVZBFWSE-VIFPVBQESA-N -1 3 383.420 0.034 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524905 949325869 /nfs/dbraw/zinc/32/58/69/949325869.db2.gz KXIHSAWVZBFWSE-VIFPVBQESA-N -1 3 383.420 0.034 20 0 GCADHM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575259457 949326156 /nfs/dbraw/zinc/32/61/56/949326156.db2.gz OSFOIVJGFVHXBR-NWDGAFQWSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575259457 949326179 /nfs/dbraw/zinc/32/61/79/949326179.db2.gz OSFOIVJGFVHXBR-NWDGAFQWSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N2CC[C@@](C)(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575861623 949328335 /nfs/dbraw/zinc/32/83/35/949328335.db2.gz UOFNWFASLMBOMU-GOSISDBHSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CC[C@@](C)(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575861623 949328359 /nfs/dbraw/zinc/32/83/59/949328359.db2.gz UOFNWFASLMBOMU-GOSISDBHSA-N -1 3 385.428 1.000 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575259496 949329360 /nfs/dbraw/zinc/32/93/60/949329360.db2.gz PDIIJBWLPLHBJH-NEPJUHHUSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575259496 949329379 /nfs/dbraw/zinc/32/93/79/949329379.db2.gz PDIIJBWLPLHBJH-NEPJUHHUSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575525003 949330536 /nfs/dbraw/zinc/33/05/36/949330536.db2.gz VGPQAZBRMXZQMF-SLEUVZQESA-N -1 3 379.428 0.892 20 0 GCADHM C[C@@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575525003 949330563 /nfs/dbraw/zinc/33/05/63/949330563.db2.gz VGPQAZBRMXZQMF-SLEUVZQESA-N -1 3 379.428 0.892 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)CCCO1 ZINC001575862107 949335944 /nfs/dbraw/zinc/33/59/44/949335944.db2.gz XHOYKRKGSDCPHW-YGRLFVJLSA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)CCCO1 ZINC001575862107 949335966 /nfs/dbraw/zinc/33/59/66/949335966.db2.gz XHOYKRKGSDCPHW-YGRLFVJLSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575525370 949337170 /nfs/dbraw/zinc/33/71/70/949337170.db2.gz MUUAEYUJQBJTNQ-JTQLQIEISA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575525370 949337193 /nfs/dbraw/zinc/33/71/93/949337193.db2.gz MUUAEYUJQBJTNQ-JTQLQIEISA-N -1 3 385.436 0.016 20 0 GCADHM CC1=C(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575861854 949336898 /nfs/dbraw/zinc/33/68/98/949336898.db2.gz WDDUGMIRLWKVHB-LBPRGKRZSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575861854 949336922 /nfs/dbraw/zinc/33/69/22/949336922.db2.gz WDDUGMIRLWKVHB-LBPRGKRZSA-N -1 3 385.428 1.000 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574457803 949337055 /nfs/dbraw/zinc/33/70/55/949337055.db2.gz ONNFRQOHKIFVAF-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574457803 949337077 /nfs/dbraw/zinc/33/70/77/949337077.db2.gz ONNFRQOHKIFVAF-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575525271 949338120 /nfs/dbraw/zinc/33/81/20/949338120.db2.gz WZJUCQCZYSVMNK-PWSUYJOCSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575525271 949338148 /nfs/dbraw/zinc/33/81/48/949338148.db2.gz WZJUCQCZYSVMNK-PWSUYJOCSA-N -1 3 385.436 0.016 20 0 GCADHM CC(C)n1ccc(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001574458607 949339818 /nfs/dbraw/zinc/33/98/18/949339818.db2.gz UIRNTSQORDAXPX-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1ccc(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001574458607 949339839 /nfs/dbraw/zinc/33/98/39/949339839.db2.gz UIRNTSQORDAXPX-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)Cn2nnnc2N1C ZINC001575862167 949342719 /nfs/dbraw/zinc/34/27/19/949342719.db2.gz YKHMZPCDKRYCGN-AWEZNQCLSA-N -1 3 378.400 0.381 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)Cn2nnnc2N1C ZINC001575862167 949342739 /nfs/dbraw/zinc/34/27/39/949342739.db2.gz YKHMZPCDKRYCGN-AWEZNQCLSA-N -1 3 378.400 0.381 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260105 949348130 /nfs/dbraw/zinc/34/81/30/949348130.db2.gz USUZMQKXNGIZRV-RYUDHWBXSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260105 949348157 /nfs/dbraw/zinc/34/81/57/949348157.db2.gz USUZMQKXNGIZRV-RYUDHWBXSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H]1C(=O)NCCN1C(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001575863725 949350097 /nfs/dbraw/zinc/35/00/97/949350097.db2.gz DHGLEXAYMLJLHY-GFCCVEGCSA-N -1 3 392.423 0.834 20 0 GCADHM C[C@@H]1C(=O)NCCN1C(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001575863725 949350113 /nfs/dbraw/zinc/35/01/13/949350113.db2.gz DHGLEXAYMLJLHY-GFCCVEGCSA-N -1 3 392.423 0.834 20 0 GCADHM CC(C)CC(=O)N1CCN(CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574110056 949350293 /nfs/dbraw/zinc/35/02/93/949350293.db2.gz NVSGZUGOXUTHII-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM CC(C)CC(=O)N1CCN(CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574110056 949350315 /nfs/dbraw/zinc/35/03/15/949350315.db2.gz NVSGZUGOXUTHII-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM C[C@H](c1nncn1C)N1CC=C(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575525568 949350756 /nfs/dbraw/zinc/35/07/56/949350756.db2.gz XZMXOFISIVBJQV-LLVKDONJSA-N -1 3 382.432 0.446 20 0 GCADHM C[C@H](c1nncn1C)N1CC=C(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575525568 949350773 /nfs/dbraw/zinc/35/07/73/949350773.db2.gz XZMXOFISIVBJQV-LLVKDONJSA-N -1 3 382.432 0.446 20 0 GCADHM C[C@@H](c1ncccn1)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575525661 949351161 /nfs/dbraw/zinc/35/11/61/949351161.db2.gz ZAMHNNQGUNQDPP-WCQYABFASA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H](c1ncccn1)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575525661 949351183 /nfs/dbraw/zinc/35/11/83/949351183.db2.gz ZAMHNNQGUNQDPP-WCQYABFASA-N -1 3 383.416 0.177 20 0 GCADHM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260436 949355533 /nfs/dbraw/zinc/35/55/33/949355533.db2.gz VYJAYIUFMFRGPR-NWDGAFQWSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260436 949355556 /nfs/dbraw/zinc/35/55/56/949355556.db2.gz VYJAYIUFMFRGPR-NWDGAFQWSA-N -1 3 385.428 0.856 20 0 GCADHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)C1=CN(C)S(=O)(=O)N=C1C ZINC001575863806 949356249 /nfs/dbraw/zinc/35/62/49/949356249.db2.gz FRVNWFZJIWSFII-UHFFFAOYSA-N -1 3 379.377 0.788 20 0 GCADHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)C1=CN(C)S(=O)(=O)N=C1C ZINC001575863806 949356271 /nfs/dbraw/zinc/35/62/71/949356271.db2.gz FRVNWFZJIWSFII-UHFFFAOYSA-N -1 3 379.377 0.788 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575525908 949357265 /nfs/dbraw/zinc/35/72/65/949357265.db2.gz SRMMVYLZEDBAQC-SECBINFHSA-N -1 3 383.420 0.034 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575525908 949357291 /nfs/dbraw/zinc/35/72/91/949357291.db2.gz SRMMVYLZEDBAQC-SECBINFHSA-N -1 3 383.420 0.034 20 0 GCADHM CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001589615207 949357652 /nfs/dbraw/zinc/35/76/52/949357652.db2.gz KJEPJVQPLOZEID-HNNXBMFYSA-N -1 3 381.473 0.413 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574459445 949357834 /nfs/dbraw/zinc/35/78/34/949357834.db2.gz GSSADNMJKCWHMJ-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574459445 949357855 /nfs/dbraw/zinc/35/78/55/949357855.db2.gz GSSADNMJKCWHMJ-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001575260700 949359864 /nfs/dbraw/zinc/35/98/64/949359864.db2.gz WVNOVLQLQSQFRS-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001575260700 949359886 /nfs/dbraw/zinc/35/98/86/949359886.db2.gz WVNOVLQLQSQFRS-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)n1ccc(CC(=O)N(C)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574459617 949364280 /nfs/dbraw/zinc/36/42/80/949364280.db2.gz JXQABOYXYVTBJP-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)n1ccc(CC(=O)N(C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574459617 949364303 /nfs/dbraw/zinc/36/43/03/949364303.db2.gz JXQABOYXYVTBJP-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573799075 949364884 /nfs/dbraw/zinc/36/48/84/949364884.db2.gz JQYSFWRZFKWNNN-CYBMUJFWSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573799075 949364904 /nfs/dbraw/zinc/36/49/04/949364904.db2.gz JQYSFWRZFKWNNN-CYBMUJFWSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576154859 949365585 /nfs/dbraw/zinc/36/55/85/949365585.db2.gz FWHRUQYGWLWXAV-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576154859 949365608 /nfs/dbraw/zinc/36/56/08/949365608.db2.gz FWHRUQYGWLWXAV-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260978 949370493 /nfs/dbraw/zinc/37/04/93/949370493.db2.gz ZAGGRTJCPWMGFR-QWRGUYRKSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260978 949370515 /nfs/dbraw/zinc/37/05/15/949370515.db2.gz ZAGGRTJCPWMGFR-QWRGUYRKSA-N -1 3 387.400 0.050 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575527463 949373156 /nfs/dbraw/zinc/37/31/56/949373156.db2.gz CRNPGBBQSJMADH-SGTLLEGYSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575527463 949373175 /nfs/dbraw/zinc/37/31/75/949373175.db2.gz CRNPGBBQSJMADH-SGTLLEGYSA-N -1 3 384.444 0.437 20 0 GCADHM CC(C)CC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574111142 949374527 /nfs/dbraw/zinc/37/45/27/949374527.db2.gz FBWHLEGPLTXZID-RISCZKNCSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574111142 949374546 /nfs/dbraw/zinc/37/45/46/949374546.db2.gz FBWHLEGPLTXZID-RISCZKNCSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccn(C)n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574943063 949376586 /nfs/dbraw/zinc/37/65/86/949376586.db2.gz VQUUDPASSKJMPT-VIFPVBQESA-N -1 3 375.824 0.808 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccn(C)n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574943063 949376607 /nfs/dbraw/zinc/37/66/07/949376607.db2.gz VQUUDPASSKJMPT-VIFPVBQESA-N -1 3 375.824 0.808 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573799923 949377171 /nfs/dbraw/zinc/37/71/71/949377171.db2.gz QWUSBHKZNXICAK-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573799920 949378913 /nfs/dbraw/zinc/37/89/13/949378913.db2.gz QTRCVTKVEJGEKY-GFCCVEGCSA-N -1 3 386.460 0.684 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573799920 949378936 /nfs/dbraw/zinc/37/89/36/949378936.db2.gz QTRCVTKVEJGEKY-GFCCVEGCSA-N -1 3 386.460 0.684 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574463789 949380836 /nfs/dbraw/zinc/38/08/36/949380836.db2.gz AJCHCJHMGGJSSX-GFCCVEGCSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574463789 949380857 /nfs/dbraw/zinc/38/08/57/949380857.db2.gz AJCHCJHMGGJSSX-GFCCVEGCSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573799941 949381325 /nfs/dbraw/zinc/38/13/25/949381325.db2.gz RLNMVVQGYXHARV-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573799941 949381346 /nfs/dbraw/zinc/38/13/46/949381346.db2.gz RLNMVVQGYXHARV-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574111892 949382675 /nfs/dbraw/zinc/38/26/75/949382675.db2.gz IKLUHIHAUGGOFZ-GFCCVEGCSA-N -1 3 377.380 0.351 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574111892 949382698 /nfs/dbraw/zinc/38/26/98/949382698.db2.gz IKLUHIHAUGGOFZ-GFCCVEGCSA-N -1 3 377.380 0.351 20 0 GCADHM C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575262808 949384333 /nfs/dbraw/zinc/38/43/33/949384333.db2.gz CEEPBOWOFCBJJV-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575262808 949384356 /nfs/dbraw/zinc/38/43/56/949384356.db2.gz CEEPBOWOFCBJJV-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574463855 949386766 /nfs/dbraw/zinc/38/67/66/949386766.db2.gz DBVKUBFAFJWBRC-NSHDSACASA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574463855 949386784 /nfs/dbraw/zinc/38/67/84/949386784.db2.gz DBVKUBFAFJWBRC-NSHDSACASA-N -1 3 386.416 0.098 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCO1)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575263165 949387671 /nfs/dbraw/zinc/38/76/71/949387671.db2.gz FFNQFJGFHSRMTC-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCO1)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575263165 949387691 /nfs/dbraw/zinc/38/76/91/949387691.db2.gz FFNQFJGFHSRMTC-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573800225 949390618 /nfs/dbraw/zinc/39/06/18/949390618.db2.gz UKAWPNWPOKIJFU-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573800225 949390636 /nfs/dbraw/zinc/39/06/36/949390636.db2.gz UKAWPNWPOKIJFU-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576155326 949394384 /nfs/dbraw/zinc/39/43/84/949394384.db2.gz IDODFOVKIMLUIB-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576155326 949394405 /nfs/dbraw/zinc/39/44/05/949394405.db2.gz IDODFOVKIMLUIB-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573800506 949394450 /nfs/dbraw/zinc/39/44/50/949394450.db2.gz XTUAFCUHQNTLQD-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573800506 949394465 /nfs/dbraw/zinc/39/44/65/949394465.db2.gz XTUAFCUHQNTLQD-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CNC(=O)Cc1nc[nH]n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574944588 949397913 /nfs/dbraw/zinc/39/79/13/949397913.db2.gz GAGKBZCQCRSJFQ-ZCFIWIBFSA-N -1 3 382.841 0.502 20 0 GCADHM C[C@H](CNC(=O)Cc1nc[nH]n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574944588 949397936 /nfs/dbraw/zinc/39/79/36/949397936.db2.gz GAGKBZCQCRSJFQ-ZCFIWIBFSA-N -1 3 382.841 0.502 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)c1 ZINC001574464105 949398196 /nfs/dbraw/zinc/39/81/96/949398196.db2.gz FBRJCNXGDJJRKY-NSHDSACASA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)c1 ZINC001574464105 949398220 /nfs/dbraw/zinc/39/82/20/949398220.db2.gz FBRJCNXGDJJRKY-NSHDSACASA-N -1 3 389.395 0.381 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576155395 949400503 /nfs/dbraw/zinc/40/05/03/949400503.db2.gz UFGFCBDKHPPLFE-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576155395 949400521 /nfs/dbraw/zinc/40/05/21/949400521.db2.gz UFGFCBDKHPPLFE-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574944881 949402132 /nfs/dbraw/zinc/40/21/32/949402132.db2.gz HVAVNARGZSZBAJ-JTQLQIEISA-N -1 3 382.432 0.418 20 0 GCADHM C[C@@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574944881 949402147 /nfs/dbraw/zinc/40/21/47/949402147.db2.gz HVAVNARGZSZBAJ-JTQLQIEISA-N -1 3 382.432 0.418 20 0 GCADHM CC(C)CC(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001574113811 949404366 /nfs/dbraw/zinc/40/43/66/949404366.db2.gz QLIDNSWCLBNESL-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)CC(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001574113811 949404376 /nfs/dbraw/zinc/40/43/76/949404376.db2.gz QLIDNSWCLBNESL-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575263776 949406008 /nfs/dbraw/zinc/40/60/08/949406008.db2.gz JIYCQFCJSNZJJP-VXGBXAGGSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575263776 949406019 /nfs/dbraw/zinc/40/60/19/949406019.db2.gz JIYCQFCJSNZJJP-VXGBXAGGSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575263824 949411913 /nfs/dbraw/zinc/41/19/13/949411913.db2.gz JXULBDMYJUXECX-YMTOWFKASA-N -1 3 389.391 0.051 20 0 GCADHM CC(C)CC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574114551 949413269 /nfs/dbraw/zinc/41/32/69/949413269.db2.gz VGUCUQFSSZCFMD-RISCZKNCSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574114551 949413280 /nfs/dbraw/zinc/41/32/80/949413280.db2.gz VGUCUQFSSZCFMD-RISCZKNCSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCO1)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575264301 949419886 /nfs/dbraw/zinc/41/98/86/949419886.db2.gz NNZXYBDURFZCBQ-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCO1)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575264301 949419903 /nfs/dbraw/zinc/41/99/03/949419903.db2.gz NNZXYBDURFZCBQ-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2ncccc2-c2nnn[n-]2)c1 ZINC001574464632 949420142 /nfs/dbraw/zinc/42/01/42/949420142.db2.gz OXSXFVGCKBGRFB-GFCCVEGCSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2ncccc2-c2nn[n-]n2)c1 ZINC001574464632 949420158 /nfs/dbraw/zinc/42/01/58/949420158.db2.gz OXSXFVGCKBGRFB-GFCCVEGCSA-N -1 3 385.432 0.584 20 0 GCADHM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574945748 949420368 /nfs/dbraw/zinc/42/03/68/949420368.db2.gz NJYOYLFWYCDKQG-SNVBAGLBSA-N -1 3 385.436 0.163 20 0 GCADHM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574945748 949420376 /nfs/dbraw/zinc/42/03/76/949420376.db2.gz NJYOYLFWYCDKQG-SNVBAGLBSA-N -1 3 385.436 0.163 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573802559 949420636 /nfs/dbraw/zinc/42/06/36/949420636.db2.gz IKIVSOCQWRAIKP-GFCCVEGCSA-N -1 3 386.460 0.367 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573802559 949420650 /nfs/dbraw/zinc/42/06/50/949420650.db2.gz IKIVSOCQWRAIKP-GFCCVEGCSA-N -1 3 386.460 0.367 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC001573802552 949422322 /nfs/dbraw/zinc/42/23/22/949422322.db2.gz ICMBEJOCGRZFKI-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC001573802552 949422332 /nfs/dbraw/zinc/42/23/32/949422332.db2.gz ICMBEJOCGRZFKI-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573802816 949423854 /nfs/dbraw/zinc/42/38/54/949423854.db2.gz KSEJUGPDMXFDQJ-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573802816 949423874 /nfs/dbraw/zinc/42/38/74/949423874.db2.gz KSEJUGPDMXFDQJ-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574945940 949425938 /nfs/dbraw/zinc/42/59/38/949425938.db2.gz PNHVXLNJFKZAGM-LBPRGKRZSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574945940 949425947 /nfs/dbraw/zinc/42/59/47/949425947.db2.gz PNHVXLNJFKZAGM-LBPRGKRZSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575264588 949427858 /nfs/dbraw/zinc/42/78/58/949427858.db2.gz PBZPOYSWJJUENU-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575264588 949427872 /nfs/dbraw/zinc/42/78/72/949427872.db2.gz PBZPOYSWJJUENU-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573802919 949428988 /nfs/dbraw/zinc/42/89/88/949428988.db2.gz MEPVNGPQYSJCMN-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573802919 949429004 /nfs/dbraw/zinc/42/90/04/949429004.db2.gz MEPVNGPQYSJCMN-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576156184 949430553 /nfs/dbraw/zinc/43/05/53/949430553.db2.gz XOKISICIGBQLDB-JSGCOSHPSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576156184 949430570 /nfs/dbraw/zinc/43/05/70/949430570.db2.gz XOKISICIGBQLDB-JSGCOSHPSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575264807 949432265 /nfs/dbraw/zinc/43/22/65/949432265.db2.gz QTDNTWXMTBTVKH-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575264807 949432277 /nfs/dbraw/zinc/43/22/77/949432277.db2.gz QTDNTWXMTBTVKH-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575534817 949432317 /nfs/dbraw/zinc/43/23/17/949432317.db2.gz QDVGQYGXUMSQDS-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575534817 949432325 /nfs/dbraw/zinc/43/23/25/949432325.db2.gz QDVGQYGXUMSQDS-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574465156 949434125 /nfs/dbraw/zinc/43/41/25/949434125.db2.gz QGICOQZQXOVCKD-HIFRSBDPSA-N -1 3 382.428 0.624 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574465156 949434147 /nfs/dbraw/zinc/43/41/47/949434147.db2.gz QGICOQZQXOVCKD-HIFRSBDPSA-N -1 3 382.428 0.624 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001574465419 949434742 /nfs/dbraw/zinc/43/47/42/949434742.db2.gz YASFDRIKPDZDQS-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001574465419 949434758 /nfs/dbraw/zinc/43/47/58/949434758.db2.gz YASFDRIKPDZDQS-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)CCCC1 ZINC001575534841 949434906 /nfs/dbraw/zinc/43/49/06/949434906.db2.gz QPHQFNFBJQVSQV-TZMCWYRMSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)CCCC1 ZINC001575534841 949434927 /nfs/dbraw/zinc/43/49/27/949434927.db2.gz QPHQFNFBJQVSQV-TZMCWYRMSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](CN(C)C(=O)C1CCC(O)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574705630 949435858 /nfs/dbraw/zinc/43/58/58/949435858.db2.gz JJQATYMHXYFQLW-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)C1CCC(O)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574705630 949435881 /nfs/dbraw/zinc/43/58/81/949435881.db2.gz JJQATYMHXYFQLW-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001573803236 949436583 /nfs/dbraw/zinc/43/65/83/949436583.db2.gz OMDPGFBWLMGQQX-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001573803236 949436593 /nfs/dbraw/zinc/43/65/93/949436593.db2.gz OMDPGFBWLMGQQX-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574465485 949437325 /nfs/dbraw/zinc/43/73/25/949437325.db2.gz ZFARSFIMPVWDLB-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574465485 949437342 /nfs/dbraw/zinc/43/73/42/949437342.db2.gz ZFARSFIMPVWDLB-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001574465463 949438443 /nfs/dbraw/zinc/43/84/43/949438443.db2.gz YRBBEOWCANNONR-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001574465463 949438453 /nfs/dbraw/zinc/43/84/53/949438453.db2.gz YRBBEOWCANNONR-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1cnc(C(=O)NCC2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)c1 ZINC001574465502 949438759 /nfs/dbraw/zinc/43/87/59/949438759.db2.gz ZLJBUKWPOLHCRF-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1cnc(C(=O)NCC2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)c1 ZINC001574465502 949438768 /nfs/dbraw/zinc/43/87/68/949438768.db2.gz ZLJBUKWPOLHCRF-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574705810 949440361 /nfs/dbraw/zinc/44/03/61/949440361.db2.gz VTRCPKGKZUHTOV-KOLCDFICSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574705810 949440375 /nfs/dbraw/zinc/44/03/75/949440375.db2.gz VTRCPKGKZUHTOV-KOLCDFICSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CCNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575535214 949442232 /nfs/dbraw/zinc/44/22/32/949442232.db2.gz UCFQIGMFGRCYQD-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CCNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575535214 949442253 /nfs/dbraw/zinc/44/22/53/949442253.db2.gz UCFQIGMFGRCYQD-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574705904 949443284 /nfs/dbraw/zinc/44/32/84/949443284.db2.gz KLEACFTTXSONTK-NWDGAFQWSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574705904 949443295 /nfs/dbraw/zinc/44/32/95/949443295.db2.gz KLEACFTTXSONTK-NWDGAFQWSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575265232 949443475 /nfs/dbraw/zinc/44/34/75/949443475.db2.gz SMGCPROSRHDQKJ-FZMZJTMJSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575265232 949443486 /nfs/dbraw/zinc/44/34/86/949443486.db2.gz SMGCPROSRHDQKJ-FZMZJTMJSA-N -1 3 389.460 0.855 20 0 GCADHM CC(C)CC(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574116951 949443357 /nfs/dbraw/zinc/44/33/57/949443357.db2.gz HWLFDKJJMQWPGL-QGZVFWFLSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574116951 949443372 /nfs/dbraw/zinc/44/33/72/949443372.db2.gz HWLFDKJJMQWPGL-QGZVFWFLSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576156504 949448659 /nfs/dbraw/zinc/44/86/59/949448659.db2.gz WUECIMLJVZTVQG-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576156504 949448681 /nfs/dbraw/zinc/44/86/81/949448681.db2.gz WUECIMLJVZTVQG-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575265320 949449500 /nfs/dbraw/zinc/44/95/00/949449500.db2.gz UGEGBQFNKMCACY-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575265320 949449519 /nfs/dbraw/zinc/44/95/19/949449519.db2.gz UGEGBQFNKMCACY-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574706196 949450159 /nfs/dbraw/zinc/45/01/59/949450159.db2.gz LKQCEAKWABAGLP-QWRGUYRKSA-N -1 3 382.432 0.759 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574468084 949457984 /nfs/dbraw/zinc/45/79/84/949457984.db2.gz ILTQKJFAIKCSCZ-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574468084 949457999 /nfs/dbraw/zinc/45/79/99/949457999.db2.gz ILTQKJFAIKCSCZ-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573803913 949459257 /nfs/dbraw/zinc/45/92/57/949459257.db2.gz XHGKUIIUDLAQCH-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573803913 949459272 /nfs/dbraw/zinc/45/92/72/949459272.db2.gz XHGKUIIUDLAQCH-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)CC(=O)NC[C@@]1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574117301 949460021 /nfs/dbraw/zinc/46/00/21/949460021.db2.gz QGRDNLMSEVTYAO-KRWDZBQOSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)NC[C@@]1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574117301 949460030 /nfs/dbraw/zinc/46/00/30/949460030.db2.gz QGRDNLMSEVTYAO-KRWDZBQOSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574468500 949463971 /nfs/dbraw/zinc/46/39/71/949463971.db2.gz MLTKUYMMMUSWSC-ZDUSSCGKSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574468500 949463990 /nfs/dbraw/zinc/46/39/90/949463990.db2.gz MLTKUYMMMUSWSC-ZDUSSCGKSA-N -1 3 385.432 0.584 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575536264 949464447 /nfs/dbraw/zinc/46/44/47/949464447.db2.gz GIYVYYMRSMGRMJ-ZMZPIMSZSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575536264 949464461 /nfs/dbraw/zinc/46/44/61/949464461.db2.gz GIYVYYMRSMGRMJ-ZMZPIMSZSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574707298 949466301 /nfs/dbraw/zinc/46/63/01/949466301.db2.gz ONYNDCUHLZYLAD-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574707298 949466316 /nfs/dbraw/zinc/46/63/16/949466316.db2.gz ONYNDCUHLZYLAD-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@](CNC(=O)Cn1cccn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574948843 949470907 /nfs/dbraw/zinc/47/09/07/949470907.db2.gz NOGJPRRWDTUCFV-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@](CNC(=O)Cn1cccn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574948843 949470921 /nfs/dbraw/zinc/47/09/21/949470921.db2.gz NOGJPRRWDTUCFV-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@]1(C(=O)N2CCC(O)(CNc3ncccc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575536516 949473279 /nfs/dbraw/zinc/47/32/79/949473279.db2.gz IPFUODANRTYWQL-QGZVFWFLSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@]1(C(=O)N2CCC(O)(CNc3ncccc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575536516 949473296 /nfs/dbraw/zinc/47/32/96/949473296.db2.gz IPFUODANRTYWQL-QGZVFWFLSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266189 949473483 /nfs/dbraw/zinc/47/34/83/949473483.db2.gz XWEXMFUZSDCNMB-GHMZBOCLSA-N -1 3 389.485 0.391 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575266273 949473922 /nfs/dbraw/zinc/47/39/22/949473922.db2.gz CJIZQBDNHQPCRO-NWDGAFQWSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575266273 949473934 /nfs/dbraw/zinc/47/39/34/949473934.db2.gz CJIZQBDNHQPCRO-NWDGAFQWSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ncccc1-c1nnn[n-]1 ZINC001574707818 949474624 /nfs/dbraw/zinc/47/46/24/949474624.db2.gz QPMQCSRGABALOD-GHMZBOCLSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ncccc1-c1nn[n-]n1 ZINC001574707818 949474634 /nfs/dbraw/zinc/47/46/34/949474634.db2.gz QPMQCSRGABALOD-GHMZBOCLSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@]1(C(=O)N2CCC(Nc3ncccc3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575536594 949475269 /nfs/dbraw/zinc/47/52/69/949475269.db2.gz KHHPEBSZFGDAOH-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC(Nc3ncccc3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575536594 949475285 /nfs/dbraw/zinc/47/52/85/949475285.db2.gz KHHPEBSZFGDAOH-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574469219 949475925 /nfs/dbraw/zinc/47/59/25/949475925.db2.gz YWLIBYJCYYOMGY-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574469219 949475942 /nfs/dbraw/zinc/47/59/42/949475942.db2.gz YWLIBYJCYYOMGY-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574707999 949479424 /nfs/dbraw/zinc/47/94/24/949479424.db2.gz RQUMHPCRIDTRRL-ZYHUDNBSSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574707999 949479436 /nfs/dbraw/zinc/47/94/36/949479436.db2.gz RQUMHPCRIDTRRL-ZYHUDNBSSA-N -1 3 382.432 0.759 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574469715 949480109 /nfs/dbraw/zinc/48/01/09/949480109.db2.gz GBVZTWJFJNJCDO-OCCSQVGLSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574469715 949480130 /nfs/dbraw/zinc/48/01/30/949480130.db2.gz GBVZTWJFJNJCDO-OCCSQVGLSA-N -1 3 383.416 0.019 20 0 GCADHM C[C@@H](NC(=O)CC1OCCCO1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575266667 949485724 /nfs/dbraw/zinc/48/57/24/949485724.db2.gz DKXIRLWCTNVTBV-NXEZZACHSA-N -1 3 379.396 0.859 20 0 GCADHM C[C@@H](NC(=O)CC1OCCCO1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575266667 949485744 /nfs/dbraw/zinc/48/57/44/949485744.db2.gz DKXIRLWCTNVTBV-NXEZZACHSA-N -1 3 379.396 0.859 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574469888 949485811 /nfs/dbraw/zinc/48/58/11/949485811.db2.gz JEIJJIJHTOVBNB-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574469888 949485821 /nfs/dbraw/zinc/48/58/21/949485821.db2.gz JEIJJIJHTOVBNB-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CC1OCCCO1 ZINC001575266674 949486903 /nfs/dbraw/zinc/48/69/03/949486903.db2.gz DKXIRLWCTNVTBV-VHSXEESVSA-N -1 3 379.396 0.859 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CC1OCCCO1 ZINC001575266674 949486911 /nfs/dbraw/zinc/48/69/11/949486911.db2.gz DKXIRLWCTNVTBV-VHSXEESVSA-N -1 3 379.396 0.859 20 0 GCADHM CC(C)n1nccc1C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574470062 949487723 /nfs/dbraw/zinc/48/77/23/949487723.db2.gz LJTLSQWNHBPQOX-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1nccc1C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574470062 949487732 /nfs/dbraw/zinc/48/77/32/949487732.db2.gz LJTLSQWNHBPQOX-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574708211 949488257 /nfs/dbraw/zinc/48/82/57/949488257.db2.gz UDDKQGOXDYDRPZ-WDEREUQCSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574708211 949488266 /nfs/dbraw/zinc/48/82/66/949488266.db2.gz UDDKQGOXDYDRPZ-WDEREUQCSA-N -1 3 375.408 0.791 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573806516 949489407 /nfs/dbraw/zinc/48/94/07/949489407.db2.gz RVYGCCDHYONQHW-OLZOCXBDSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573806516 949489418 /nfs/dbraw/zinc/48/94/18/949489418.db2.gz RVYGCCDHYONQHW-OLZOCXBDSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574470092 949490519 /nfs/dbraw/zinc/49/05/19/949490519.db2.gz MCESRQGTAJNPHR-QGZVFWFLSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574470092 949490533 /nfs/dbraw/zinc/49/05/33/949490533.db2.gz MCESRQGTAJNPHR-QGZVFWFLSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573806924 949497736 /nfs/dbraw/zinc/49/77/36/949497736.db2.gz YAOINAOQVNCHAD-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573806924 949497753 /nfs/dbraw/zinc/49/77/53/949497753.db2.gz YAOINAOQVNCHAD-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575537715 949498343 /nfs/dbraw/zinc/49/83/43/949498343.db2.gz AOERCZMZRKIKMX-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575537715 949498354 /nfs/dbraw/zinc/49/83/54/949498354.db2.gz AOERCZMZRKIKMX-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC(F)(F)C1 ZINC001575537718 949499190 /nfs/dbraw/zinc/49/91/90/949499190.db2.gz WUJPDGOGOSFIRB-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC(F)(F)C1 ZINC001575537718 949499204 /nfs/dbraw/zinc/49/92/04/949499204.db2.gz WUJPDGOGOSFIRB-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccnnc1 ZINC001573807980 949501307 /nfs/dbraw/zinc/50/13/07/949501307.db2.gz BPAGRPYNYLCHKT-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccnnc1 ZINC001573807980 949501321 /nfs/dbraw/zinc/50/13/21/949501321.db2.gz BPAGRPYNYLCHKT-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cncnc1 ZINC001573807983 949502419 /nfs/dbraw/zinc/50/24/19/949502419.db2.gz BSQMJDGHBVWDES-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cncnc1 ZINC001573807983 949502436 /nfs/dbraw/zinc/50/24/36/949502436.db2.gz BSQMJDGHBVWDES-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1ccnc1 ZINC001573807998 949504333 /nfs/dbraw/zinc/50/43/33/949504333.db2.gz BYOYCJRLOBIHJS-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1ccnc1 ZINC001573807998 949504357 /nfs/dbraw/zinc/50/43/57/949504357.db2.gz BYOYCJRLOBIHJS-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@](CO)(Nc3ncccc3-c3nnn[n-]3)C2)CCOC1 ZINC001575537765 949504570 /nfs/dbraw/zinc/50/45/70/949504570.db2.gz AVQIWAYGGHDLAM-ZWKOTPCHSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@](CO)(Nc3ncccc3-c3nn[n-]n3)C2)CCOC1 ZINC001575537765 949504588 /nfs/dbraw/zinc/50/45/88/949504588.db2.gz AVQIWAYGGHDLAM-ZWKOTPCHSA-N -1 3 387.444 0.454 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1ncccc1-c1nnn[n-]1 ZINC001574120831 949507455 /nfs/dbraw/zinc/50/74/55/949507455.db2.gz MVPRCKAZCKVWKB-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1ncccc1-c1nn[n-]n1 ZINC001574120831 949507470 /nfs/dbraw/zinc/50/74/70/949507470.db2.gz MVPRCKAZCKVWKB-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574709428 949507404 /nfs/dbraw/zinc/50/74/04/949507404.db2.gz ZLMLBKJGLKNRBW-JQWIXIFHSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574709428 949507418 /nfs/dbraw/zinc/50/74/18/949507418.db2.gz ZLMLBKJGLKNRBW-JQWIXIFHSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574709424 949507748 /nfs/dbraw/zinc/50/77/48/949507748.db2.gz ZLMLBKJGLKNRBW-CMPLNLGQSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574709424 949507762 /nfs/dbraw/zinc/50/77/62/949507762.db2.gz ZLMLBKJGLKNRBW-CMPLNLGQSA-N -1 3 382.432 0.759 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccncn1 ZINC001573808026 949508560 /nfs/dbraw/zinc/50/85/60/949508560.db2.gz CNNIUGJQTLJCOT-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccncn1 ZINC001573808026 949508587 /nfs/dbraw/zinc/50/85/87/949508587.db2.gz CNNIUGJQTLJCOT-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001573808021 949510261 /nfs/dbraw/zinc/51/02/61/949510261.db2.gz CLSKOZXRIWAQBI-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001573808021 949510281 /nfs/dbraw/zinc/51/02/81/949510281.db2.gz CLSKOZXRIWAQBI-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808384 949511356 /nfs/dbraw/zinc/51/13/56/949511356.db2.gz FRVIOICBEQZLGB-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808384 949511373 /nfs/dbraw/zinc/51/13/73/949511373.db2.gz FRVIOICBEQZLGB-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575267983 949511804 /nfs/dbraw/zinc/51/18/04/949511804.db2.gz KYUDUMZOCUDNGJ-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575267983 949511824 /nfs/dbraw/zinc/51/18/24/949511824.db2.gz KYUDUMZOCUDNGJ-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574470745 949512276 /nfs/dbraw/zinc/51/22/76/949512276.db2.gz TYJHNIZUAQKHRY-PHIMTYICSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574470745 949512284 /nfs/dbraw/zinc/51/22/84/949512284.db2.gz TYJHNIZUAQKHRY-PHIMTYICSA-N -1 3 383.416 0.663 20 0 GCADHM C[C@@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575267996 949514250 /nfs/dbraw/zinc/51/42/50/949514250.db2.gz LEXUMXAKPPPCJO-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575267996 949514266 /nfs/dbraw/zinc/51/42/66/949514266.db2.gz LEXUMXAKPPPCJO-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574470889 949517185 /nfs/dbraw/zinc/51/71/85/949517185.db2.gz WTJZVWKLNNUECE-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM 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/nfs/dbraw/zinc/54/70/83/949547083.db2.gz RSDNRLZNQDCGPM-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CCOC1 ZINC001573809532 949547107 /nfs/dbraw/zinc/54/71/07/949547107.db2.gz RSDNRLZNQDCGPM-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575539414 949547648 /nfs/dbraw/zinc/54/76/48/949547648.db2.gz PUJQNQSNXDMRNB-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575539414 949547670 /nfs/dbraw/zinc/54/76/70/949547670.db2.gz PUJQNQSNXDMRNB-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001574472382 949552379 /nfs/dbraw/zinc/55/23/79/949552379.db2.gz UCOGHBPXVPXGRA-BXUZGUMPSA-N -1 3 384.448 0.618 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872569 949553182 /nfs/dbraw/zinc/55/31/82/949553182.db2.gz 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GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711792 949556179 /nfs/dbraw/zinc/55/61/79/949556179.db2.gz MESMAZNKBFJQSF-YPMHNXCESA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711792 949556199 /nfs/dbraw/zinc/55/61/99/949556199.db2.gz MESMAZNKBFJQSF-YPMHNXCESA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574472939 949556452 /nfs/dbraw/zinc/55/64/52/949556452.db2.gz WUOJNVSADPSMNO-GXFFZTMASA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574472939 949556470 /nfs/dbraw/zinc/55/64/70/949556470.db2.gz WUOJNVSADPSMNO-GXFFZTMASA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccncn1 ZINC001573809966 949557044 /nfs/dbraw/zinc/55/70/44/949557044.db2.gz WYUWHNMWDQTTDC-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccncn1 ZINC001573809966 949557060 /nfs/dbraw/zinc/55/70/60/949557060.db2.gz WYUWHNMWDQTTDC-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576164872 949558067 /nfs/dbraw/zinc/55/80/67/949558067.db2.gz HZYNMHCIPNOPOZ-TZMCWYRMSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576164872 949558086 /nfs/dbraw/zinc/55/80/86/949558086.db2.gz HZYNMHCIPNOPOZ-TZMCWYRMSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H](NC(=O)CC1(C)CC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575269684 949563599 /nfs/dbraw/zinc/56/35/99/949563599.db2.gz WKKVSIZQAZCXOY-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC1(C)CC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575269684 949563613 /nfs/dbraw/zinc/56/36/13/949563613.db2.gz WKKVSIZQAZCXOY-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM 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CC1(C(=O)N2CCC[C@](CO)(Nc3ncc(-c4nn[n-]n4)cc3F)C2)CC1 ZINC001575540290 949567113 /nfs/dbraw/zinc/56/71/13/949567113.db2.gz WRKZBZJIGRWXOR-KRWDZBQOSA-N -1 3 375.408 0.966 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001573810074 949568482 /nfs/dbraw/zinc/56/84/82/949568482.db2.gz YMOHXSRRFAPXTI-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001573810074 949568496 /nfs/dbraw/zinc/56/84/96/949568496.db2.gz YMOHXSRRFAPXTI-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573810124 949568579 /nfs/dbraw/zinc/56/85/79/949568579.db2.gz ZKCZOTHUWNICDH-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573810124 949568590 /nfs/dbraw/zinc/56/85/90/949568590.db2.gz ZKCZOTHUWNICDH-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM 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/nfs/dbraw/zinc/59/06/50/949590650.db2.gz QKJUMIWAEPSQAX-CMPLNLGQSA-N -1 3 391.407 0.433 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2(F)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575873837 949590666 /nfs/dbraw/zinc/59/06/66/949590666.db2.gz QKJUMIWAEPSQAX-CMPLNLGQSA-N -1 3 391.407 0.433 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575544872 949591281 /nfs/dbraw/zinc/59/12/81/949591281.db2.gz GWGLXOUYTAYGDY-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575544872 949591296 /nfs/dbraw/zinc/59/12/96/949591296.db2.gz GWGLXOUYTAYGDY-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(F)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575873841 949592010 /nfs/dbraw/zinc/59/20/10/949592010.db2.gz QKJUMIWAEPSQAX-ZYHUDNBSSA-N -1 3 391.407 0.433 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(F)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575873841 949592027 /nfs/dbraw/zinc/59/20/27/949592027.db2.gz QKJUMIWAEPSQAX-ZYHUDNBSSA-N -1 3 391.407 0.433 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001574125506 949592686 /nfs/dbraw/zinc/59/26/86/949592686.db2.gz RDGCIMNYNPHURL-KBPBESRZSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001574125506 949592702 /nfs/dbraw/zinc/59/27/02/949592702.db2.gz RDGCIMNYNPHURL-KBPBESRZSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001574125507 949592807 /nfs/dbraw/zinc/59/28/07/949592807.db2.gz RDGCIMNYNPHURL-KGLIPLIRSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001574125507 949592824 /nfs/dbraw/zinc/59/28/24/949592824.db2.gz RDGCIMNYNPHURL-KGLIPLIRSA-N -1 3 386.460 0.716 20 0 GCADHM C[C@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574476355 949597138 /nfs/dbraw/zinc/59/71/38/949597138.db2.gz 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0.765 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574957363 949607490 /nfs/dbraw/zinc/60/74/90/949607490.db2.gz WDNQCOVHJOUBHN-KVMADOOQSA-N -1 3 387.419 0.765 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574127003 949610382 /nfs/dbraw/zinc/61/03/82/949610382.db2.gz DBFFLOREYSXXHZ-GFCCVEGCSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574127003 949610396 /nfs/dbraw/zinc/61/03/96/949610396.db2.gz DBFFLOREYSXXHZ-GFCCVEGCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574476592 949611624 /nfs/dbraw/zinc/61/16/24/949611624.db2.gz IPRJCMXMKZIGHE-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574476592 949611631 /nfs/dbraw/zinc/61/16/31/949611631.db2.gz IPRJCMXMKZIGHE-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575546642 949612191 /nfs/dbraw/zinc/61/21/91/949612191.db2.gz ROYXWYRFZWPNEQ-XIKOKIGWSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575546642 949612202 /nfs/dbraw/zinc/61/22/02/949612202.db2.gz ROYXWYRFZWPNEQ-XIKOKIGWSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)(C)[C@H](CNCc1nncs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573812000 949613420 /nfs/dbraw/zinc/61/34/20/949613420.db2.gz PCSZGUKMDCVDGK-NSHDSACASA-N -1 3 375.462 0.981 20 0 GCADHM C[C@]1(C(=O)N2CCCC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575546563 949613746 /nfs/dbraw/zinc/61/37/46/949613746.db2.gz RAARNDFOUQXJBI-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575546563 949613757 /nfs/dbraw/zinc/61/37/57/949613757.db2.gz RAARNDFOUQXJBI-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNCc1nncs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573811999 949614080 /nfs/dbraw/zinc/61/40/80/949614080.db2.gz PCSZGUKMDCVDGK-LLVKDONJSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574957413 949614240 /nfs/dbraw/zinc/61/42/40/949614240.db2.gz XLJQOVMFZKJPLT-KCJUWKMLSA-N -1 3 378.824 0.453 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574957413 949614250 /nfs/dbraw/zinc/61/42/50/949614250.db2.gz XLJQOVMFZKJPLT-KCJUWKMLSA-N -1 3 378.824 0.453 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874650 949615835 /nfs/dbraw/zinc/61/58/35/949615835.db2.gz SYTCSGDRINDXEG-DGCLKSJQSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874650 949615848 /nfs/dbraw/zinc/61/58/48/949615848.db2.gz SYTCSGDRINDXEG-DGCLKSJQSA-N -1 3 385.428 0.998 20 0 GCADHM CC(C)(C)[C@H](CNCc1cnsn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573812464 949617369 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386.460 0.827 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001574476808 949619774 /nfs/dbraw/zinc/61/97/74/949619774.db2.gz HDKKCTJVDYUMTF-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001574476808 949619790 /nfs/dbraw/zinc/61/97/90/949619790.db2.gz HDKKCTJVDYUMTF-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCCn1ccnc1 ZINC001575271418 949620611 /nfs/dbraw/zinc/62/06/11/949620611.db2.gz KGFFCKGRCRMCPN-NWDGAFQWSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)n1ccnc1 ZINC001574476752 949620782 /nfs/dbraw/zinc/62/07/82/949620782.db2.gz JJYMQQUQSPDCNM-TZMCWYRMSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCCn1ccnc1 ZINC001575271418 949620623 /nfs/dbraw/zinc/62/06/23/949620623.db2.gz KGFFCKGRCRMCPN-NWDGAFQWSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)n1ccnc1 ZINC001574476752 949620797 /nfs/dbraw/zinc/62/07/97/949620797.db2.gz JJYMQQUQSPDCNM-TZMCWYRMSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574957628 949623094 /nfs/dbraw/zinc/62/30/94/949623094.db2.gz CVJPWSPPYYZBSI-YSYLPMMESA-N -1 3 385.428 0.102 20 0 GCADHM C[C@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574957628 949623116 /nfs/dbraw/zinc/62/31/16/949623116.db2.gz CVJPWSPPYYZBSI-YSYLPMMESA-N -1 3 385.428 0.102 20 0 GCADHM C[C@@](CNC(=O)[C@]12C[C@H]1COC2)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574957615 949623479 /nfs/dbraw/zinc/62/34/79/949623479.db2.gz CSGGYMUZMBQGIG-IGNZVWTISA-N -1 3 385.428 0.246 20 0 GCADHM C[C@@](CNC(=O)[C@]12C[C@H]1COC2)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574957615 949623495 /nfs/dbraw/zinc/62/34/95/949623495.db2.gz CSGGYMUZMBQGIG-IGNZVWTISA-N -1 3 385.428 0.246 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575874842 949623782 /nfs/dbraw/zinc/62/37/82/949623782.db2.gz HKFUEFFMYHQVQG-UKRRQHHQSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575874842 949623794 /nfs/dbraw/zinc/62/37/94/949623794.db2.gz HKFUEFFMYHQVQG-UKRRQHHQSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576168017 949625170 /nfs/dbraw/zinc/62/51/70/949625170.db2.gz RZYGLJDJDKVIAF-CYBMUJFWSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576168017 949625184 /nfs/dbraw/zinc/62/51/84/949625184.db2.gz RZYGLJDJDKVIAF-CYBMUJFWSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168036 949626324 /nfs/dbraw/zinc/62/63/24/949626324.db2.gz BGXWJYAGMQMUQD-FZMZJTMJSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168036 949626336 /nfs/dbraw/zinc/62/63/36/949626336.db2.gz BGXWJYAGMQMUQD-FZMZJTMJSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575272073 949631321 /nfs/dbraw/zinc/63/13/21/949631321.db2.gz NDZNVAZLWBATDH-DGCLKSJQSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575272073 949631335 /nfs/dbraw/zinc/63/13/35/949631335.db2.gz NDZNVAZLWBATDH-DGCLKSJQSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575272074 949632972 /nfs/dbraw/zinc/63/29/72/949632972.db2.gz NDZNVAZLWBATDH-WCQYABFASA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575272074 949632982 /nfs/dbraw/zinc/63/29/82/949632982.db2.gz NDZNVAZLWBATDH-WCQYABFASA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575876028 949635952 /nfs/dbraw/zinc/63/59/52/949635952.db2.gz IRRSDUHZNRSCON-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876028 949635969 /nfs/dbraw/zinc/63/59/69/949635969.db2.gz IRRSDUHZNRSCON-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576168370 949637112 /nfs/dbraw/zinc/63/71/12/949637112.db2.gz GPTHGSPWFRFKNU-JSGCOSHPSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576168370 949637121 /nfs/dbraw/zinc/63/71/21/949637121.db2.gz GPTHGSPWFRFKNU-JSGCOSHPSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCn1cnnn1 ZINC001573814293 949639434 /nfs/dbraw/zinc/63/94/34/949639434.db2.gz CZBOOMCDIDTGRH-CYBMUJFWSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CCn1cnnn1 ZINC001573814293 949639443 /nfs/dbraw/zinc/63/94/43/949639443.db2.gz CZBOOMCDIDTGRH-CYBMUJFWSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCn1ccnn1 ZINC001573814230 949639653 /nfs/dbraw/zinc/63/96/53/949639653.db2.gz BSAJVHILJWKVLW-AWEZNQCLSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CCn1ccnn1 ZINC001573814230 949639659 /nfs/dbraw/zinc/63/96/59/949639659.db2.gz BSAJVHILJWKVLW-AWEZNQCLSA-N -1 3 384.448 0.886 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCC1 ZINC001575547737 949639762 /nfs/dbraw/zinc/63/97/62/949639762.db2.gz FZSUKOBRJBXJTB-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCC1 ZINC001575547737 949639769 /nfs/dbraw/zinc/63/97/69/949639769.db2.gz FZSUKOBRJBXJTB-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1)NC(N)=O ZINC001574477205 949641593 /nfs/dbraw/zinc/64/15/93/949641593.db2.gz LWNCRXIBDWRVAC-CMPLNLGQSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1)NC(N)=O ZINC001574477205 949641603 /nfs/dbraw/zinc/64/16/03/949641603.db2.gz LWNCRXIBDWRVAC-CMPLNLGQSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574477233 949647757 /nfs/dbraw/zinc/64/77/57/949647757.db2.gz MJIUTOGYBGSDDR-IAQYHMDHSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574477233 949647774 /nfs/dbraw/zinc/64/77/74/949647774.db2.gz MJIUTOGYBGSDDR-IAQYHMDHSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CCCn1ccnc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575272726 949650595 /nfs/dbraw/zinc/65/05/95/949650595.db2.gz SEVSHIQUTAJPLV-NEPJUHHUSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)CCCn1ccnc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575272726 949650604 /nfs/dbraw/zinc/65/06/04/949650604.db2.gz SEVSHIQUTAJPLV-NEPJUHHUSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575272687 949651813 /nfs/dbraw/zinc/65/18/13/949651813.db2.gz RRAMNZFCVONJQR-MFKMUULPSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575272687 949651824 /nfs/dbraw/zinc/65/18/24/949651824.db2.gz RRAMNZFCVONJQR-MFKMUULPSA-N -1 3 379.396 0.290 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CN1CCCC1=O ZINC001573815551 949653875 /nfs/dbraw/zinc/65/38/75/949653875.db2.gz IMNAMNKRXJAMEV-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CN1CCCC1=O ZINC001573815551 949653887 /nfs/dbraw/zinc/65/38/87/949653887.db2.gz IMNAMNKRXJAMEV-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574477425 949655262 /nfs/dbraw/zinc/65/52/62/949655262.db2.gz QXZRKZCLTXWAGL-TZMCWYRMSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574477425 949655275 /nfs/dbraw/zinc/65/52/75/949655275.db2.gz QXZRKZCLTXWAGL-TZMCWYRMSA-N -1 3 385.432 0.341 20 0 GCADHM CC1(C(=O)N2CCOC3(CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)CCC1 ZINC001575548087 949655841 /nfs/dbraw/zinc/65/58/41/949655841.db2.gz QANJZXBKCUUGKE-UHFFFAOYSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CCOC3(CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)CCC1 ZINC001575548087 949655852 /nfs/dbraw/zinc/65/58/52/949655852.db2.gz QANJZXBKCUUGKE-UHFFFAOYSA-N -1 3 385.428 0.438 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001574477449 949657819 /nfs/dbraw/zinc/65/78/19/949657819.db2.gz RGUUGXRGFGDDTD-UKRRQHHQSA-N -1 3 384.444 0.946 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001574477449 949657830 /nfs/dbraw/zinc/65/78/30/949657830.db2.gz RGUUGXRGFGDDTD-UKRRQHHQSA-N -1 3 384.444 0.946 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccncc1 ZINC001574477388 949658132 /nfs/dbraw/zinc/65/81/32/949658132.db2.gz NRGRKIYXNAPYPV-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccncc1 ZINC001574477388 949658142 /nfs/dbraw/zinc/65/81/42/949658142.db2.gz NRGRKIYXNAPYPV-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575877217 949658193 /nfs/dbraw/zinc/65/81/93/949658193.db2.gz LCKRGWCPSWGZKU-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575877217 949658203 /nfs/dbraw/zinc/65/82/03/949658203.db2.gz LCKRGWCPSWGZKU-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575877202 949659303 /nfs/dbraw/zinc/65/93/03/949659303.db2.gz LAIPVSFGMUSVBE-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575877202 949659314 /nfs/dbraw/zinc/65/93/14/949659314.db2.gz LAIPVSFGMUSVBE-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM CC1(C(=O)N2CCN(C3CN(Cc4ccccc4-c4nn[n-]n4)C3)CC2)CC1 ZINC001575548268 949663620 /nfs/dbraw/zinc/66/36/20/949663620.db2.gz WRIYEBUKFPXLGX-UHFFFAOYSA-N -1 3 381.484 0.995 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ncccc1-c1nnn[n-]1 ZINC001574958362 949664287 /nfs/dbraw/zinc/66/42/87/949664287.db2.gz JEVPOLUIFNWGDN-MRVWCRGKSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ncccc1-c1nn[n-]n1 ZINC001574958362 949664306 /nfs/dbraw/zinc/66/43/06/949664306.db2.gz JEVPOLUIFNWGDN-MRVWCRGKSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@]1(C(=O)N2CCN(Cc3ccccc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575548218 949665133 /nfs/dbraw/zinc/66/51/33/949665133.db2.gz USHOGYXJXXQFSJ-LJQANCHMSA-N -1 3 383.456 0.427 20 0 GCADHM C[C@@]1(C(=O)N2CCN(Cc3ccccc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575548218 949665140 /nfs/dbraw/zinc/66/51/40/949665140.db2.gz USHOGYXJXXQFSJ-LJQANCHMSA-N -1 3 383.456 0.427 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1c[nH]cn1 ZINC001573815933 949666326 /nfs/dbraw/zinc/66/63/26/949666326.db2.gz LZXYIIPTFUGRAC-ZDUSSCGKSA-N -1 3 384.448 0.955 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575273634 949668592 /nfs/dbraw/zinc/66/85/92/949668592.db2.gz XPNVDWMRXATPDW-RKDXNWHRSA-N -1 3 380.840 0.876 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575273634 949668600 /nfs/dbraw/zinc/66/86/00/949668600.db2.gz XPNVDWMRXATPDW-RKDXNWHRSA-N -1 3 380.840 0.876 20 0 GCADHM C[C@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001575878147 949670107 /nfs/dbraw/zinc/67/01/07/949670107.db2.gz NMKXMAKAKWIJGJ-SWLSCSKDSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001574477780 949675109 /nfs/dbraw/zinc/67/51/09/949675109.db2.gz RLYRFIQUAKGODI-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001574477780 949675121 /nfs/dbraw/zinc/67/51/21/949675121.db2.gz RLYRFIQUAKGODI-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575878803 949678649 /nfs/dbraw/zinc/67/86/49/949678649.db2.gz PFKCBZIPMXEVHH-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575878803 949678673 /nfs/dbraw/zinc/67/86/73/949678673.db2.gz PFKCBZIPMXEVHH-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]3C2)CCOCC1 ZINC001575552241 949679365 /nfs/dbraw/zinc/67/93/65/949679365.db2.gz FIKDDTSDVUBBSQ-OKILXGFUSA-N -1 3 383.456 0.973 20 0 GCADHM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]3C2)CCOCC1 ZINC001575552241 949679385 /nfs/dbraw/zinc/67/93/85/949679385.db2.gz FIKDDTSDVUBBSQ-OKILXGFUSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574477854 949679674 /nfs/dbraw/zinc/67/96/74/949679674.db2.gz VLMLZABHMGMTJH-OLZOCXBDSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574477854 949679686 /nfs/dbraw/zinc/67/96/86/949679686.db2.gz VLMLZABHMGMTJH-OLZOCXBDSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574958558 949681541 /nfs/dbraw/zinc/68/15/41/949681541.db2.gz SMCBFVITOODVPP-OXJKWZBOSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574958558 949681550 /nfs/dbraw/zinc/68/15/50/949681550.db2.gz SMCBFVITOODVPP-OXJKWZBOSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576169480 949681628 /nfs/dbraw/zinc/68/16/28/949681628.db2.gz YBZAYJPPWWIGMC-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576169480 949681635 /nfs/dbraw/zinc/68/16/35/949681635.db2.gz YBZAYJPPWWIGMC-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001574477899 949682356 /nfs/dbraw/zinc/68/23/56/949682356.db2.gz SSDSAAPADQDFJQ-AWEZNQCLSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001574477899 949682365 /nfs/dbraw/zinc/68/23/65/949682365.db2.gz SSDSAAPADQDFJQ-AWEZNQCLSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574958663 949685204 /nfs/dbraw/zinc/68/52/04/949685204.db2.gz MBWYKTOJDWOVLS-LEWSCRJBSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574958663 949685218 /nfs/dbraw/zinc/68/52/18/949685218.db2.gz MBWYKTOJDWOVLS-LEWSCRJBSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CN1CCOCC1 ZINC001573816650 949686509 /nfs/dbraw/zinc/68/65/09/949686509.db2.gz TVMGJCOQZIXZHO-HNNXBMFYSA-N -1 3 388.476 0.537 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CN1CCOCC1 ZINC001573816650 949686522 /nfs/dbraw/zinc/68/65/22/949686522.db2.gz TVMGJCOQZIXZHO-HNNXBMFYSA-N -1 3 388.476 0.537 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574716317 949689432 /nfs/dbraw/zinc/68/94/32/949689432.db2.gz JGKILEOPOCJVFY-MNOVXSKESA-N -1 3 390.423 0.528 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574716317 949689445 /nfs/dbraw/zinc/68/94/45/949689445.db2.gz JGKILEOPOCJVFY-MNOVXSKESA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](NC(=O)CCc1ccn(C)n1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575274603 949689913 /nfs/dbraw/zinc/68/99/13/949689913.db2.gz AQKWWDMRSFPWKI-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1ccn(C)n1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575274603 949689917 /nfs/dbraw/zinc/68/99/17/949689917.db2.gz AQKWWDMRSFPWKI-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)NC(N)=O ZINC001574478020 949690057 /nfs/dbraw/zinc/69/00/57/949690057.db2.gz WVMLDUMMJCCFHS-JTQLQIEISA-N -1 3 390.423 0.095 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)NC(N)=O ZINC001574478020 949690072 /nfs/dbraw/zinc/69/00/72/949690072.db2.gz WVMLDUMMJCCFHS-JTQLQIEISA-N -1 3 390.423 0.095 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576169681 949690933 /nfs/dbraw/zinc/69/09/33/949690933.db2.gz HSRCOUGTPNSFPN-CHWSQXEVSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576169681 949690957 /nfs/dbraw/zinc/69/09/57/949690957.db2.gz HSRCOUGTPNSFPN-CHWSQXEVSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001574478006 949691222 /nfs/dbraw/zinc/69/12/22/949691222.db2.gz WRMXMPXJJLTTCM-WFASDCNBSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001574478006 949691232 /nfs/dbraw/zinc/69/12/32/949691232.db2.gz WRMXMPXJJLTTCM-WFASDCNBSA-N -1 3 389.460 0.930 20 0 GCADHM CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCCC1 ZINC001575553759 949691903 /nfs/dbraw/zinc/69/19/03/949691903.db2.gz PUSSCFAMEUETMN-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCCC1 ZINC001575553759 949691915 /nfs/dbraw/zinc/69/19/15/949691915.db2.gz PUSSCFAMEUETMN-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574478074 949692726 /nfs/dbraw/zinc/69/27/26/949692726.db2.gz XNPPMHXDVJCVRT-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574478074 949692735 /nfs/dbraw/zinc/69/27/35/949692735.db2.gz XNPPMHXDVJCVRT-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@]1(C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575553754 949693281 /nfs/dbraw/zinc/69/32/81/949693281.db2.gz PMZXYCBHWVTORT-CQSZACIVSA-N -1 3 382.471 0.362 20 0 GCADHM C[C@]1(C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575553754 949693293 /nfs/dbraw/zinc/69/32/93/949693293.db2.gz PMZXYCBHWVTORT-CQSZACIVSA-N -1 3 382.471 0.362 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574478030 949693296 /nfs/dbraw/zinc/69/32/96/949693296.db2.gz UNKFYPMXNGLQNJ-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574478030 949693310 /nfs/dbraw/zinc/69/33/10/949693310.db2.gz UNKFYPMXNGLQNJ-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576169758 949695695 /nfs/dbraw/zinc/69/56/95/949695695.db2.gz HZTFMLNGSSYJTD-IUODEOHRSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576169758 949695708 /nfs/dbraw/zinc/69/57/08/949695708.db2.gz HZTFMLNGSSYJTD-IUODEOHRSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575555091 949698461 /nfs/dbraw/zinc/69/84/61/949698461.db2.gz VQAPCMIWZWFHQO-ZJNRKIDTSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575555091 949698473 /nfs/dbraw/zinc/69/84/73/949698473.db2.gz VQAPCMIWZWFHQO-ZJNRKIDTSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575880251 949698584 /nfs/dbraw/zinc/69/85/84/949698584.db2.gz SWVGLOJLAGKYNX-JSGCOSHPSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575880251 949698596 /nfs/dbraw/zinc/69/85/96/949698596.db2.gz SWVGLOJLAGKYNX-JSGCOSHPSA-N -1 3 382.432 0.417 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573817276 949698750 /nfs/dbraw/zinc/69/87/50/949698750.db2.gz ZDNSLFFDEBKUJM-CYBMUJFWSA-N -1 3 383.416 0.602 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573817276 949698764 /nfs/dbraw/zinc/69/87/64/949698764.db2.gz ZDNSLFFDEBKUJM-CYBMUJFWSA-N -1 3 383.416 0.602 20 0 GCADHM C[C@H](NC(=O)CCc1ccnn1C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575275501 949700019 /nfs/dbraw/zinc/70/00/19/949700019.db2.gz DOXHKXKFYWSSSS-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1ccnn1C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575275501 949700032 /nfs/dbraw/zinc/70/00/32/949700032.db2.gz DOXHKXKFYWSSSS-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1ccnn1C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575275499 949702267 /nfs/dbraw/zinc/70/22/67/949702267.db2.gz DOXHKXKFYWSSSS-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1ccnn1C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575275499 949702289 /nfs/dbraw/zinc/70/22/89/949702289.db2.gz DOXHKXKFYWSSSS-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574478368 949702559 /nfs/dbraw/zinc/70/25/59/949702559.db2.gz XANMWVYBMLZVTG-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001575275916 949705165 /nfs/dbraw/zinc/70/51/65/949705165.db2.gz FUHKLOYIUFSMBK-ZJUUUORDSA-N -1 3 384.437 0.746 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001575275916 949705181 /nfs/dbraw/zinc/70/51/81/949705181.db2.gz FUHKLOYIUFSMBK-ZJUUUORDSA-N -1 3 384.437 0.746 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001574478463 949706414 /nfs/dbraw/zinc/70/64/14/949706414.db2.gz XZRIQCCLIHFVTP-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001574478463 949706433 /nfs/dbraw/zinc/70/64/33/949706433.db2.gz XZRIQCCLIHFVTP-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574133051 949708816 /nfs/dbraw/zinc/70/88/16/949708816.db2.gz DAPIEODWXLBLNA-NILFDRSVSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574133051 949708836 /nfs/dbraw/zinc/70/88/36/949708836.db2.gz DAPIEODWXLBLNA-NILFDRSVSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574959381 949708994 /nfs/dbraw/zinc/70/89/94/949708994.db2.gz QTLQNQCOBWXYOW-IACUBPJLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574959381 949709010 /nfs/dbraw/zinc/70/90/10/949709010.db2.gz QTLQNQCOBWXYOW-IACUBPJLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276199 949710691 /nfs/dbraw/zinc/71/06/91/949710691.db2.gz HVHAUWZDGOVNHD-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276199 949710704 /nfs/dbraw/zinc/71/07/04/949710704.db2.gz HVHAUWZDGOVNHD-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575276178 949710884 /nfs/dbraw/zinc/71/08/84/949710884.db2.gz HLWCOVIVTQEQBF-GFCCVEGCSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575276178 949710895 /nfs/dbraw/zinc/71/08/95/949710895.db2.gz HLWCOVIVTQEQBF-GFCCVEGCSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)CCOC1 ZINC001575557199 949711087 /nfs/dbraw/zinc/71/10/87/949711087.db2.gz DBHJLYWUDXVWNN-LSIMKLPESA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)CCOC1 ZINC001575557199 949711095 /nfs/dbraw/zinc/71/10/95/949711095.db2.gz DBHJLYWUDXVWNN-LSIMKLPESA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574478603 949714311 /nfs/dbraw/zinc/71/43/11/949714311.db2.gz ZCFZXDWHHLYCEG-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574478603 949714330 /nfs/dbraw/zinc/71/43/30/949714330.db2.gz ZCFZXDWHHLYCEG-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001575557295 949714649 /nfs/dbraw/zinc/71/46/49/949714649.db2.gz GMAWMDHZGCHABW-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001575557295 949714666 /nfs/dbraw/zinc/71/46/66/949714666.db2.gz GMAWMDHZGCHABW-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCO1 ZINC001574478564 949715092 /nfs/dbraw/zinc/71/50/92/949715092.db2.gz YZYYYCVHFYIMFS-BBRMVZONSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCO1 ZINC001574478564 949715096 /nfs/dbraw/zinc/71/50/96/949715096.db2.gz YZYYYCVHFYIMFS-BBRMVZONSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNc2ncccc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575557304 949715287 /nfs/dbraw/zinc/71/52/87/949715287.db2.gz GQBZKRDWYJVQKC-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNc2ncccc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575557304 949715319 /nfs/dbraw/zinc/71/53/19/949715319.db2.gz GQBZKRDWYJVQKC-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574478765 949719343 /nfs/dbraw/zinc/71/93/43/949719343.db2.gz AIUATVFPXRMCEZ-LLVKDONJSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574478765 949719357 /nfs/dbraw/zinc/71/93/57/949719357.db2.gz AIUATVFPXRMCEZ-LLVKDONJSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170465 949719694 /nfs/dbraw/zinc/71/96/94/949719694.db2.gz LARUNJUKIDVQAM-FZMZJTMJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574959814 949719782 /nfs/dbraw/zinc/71/97/82/949719782.db2.gz ULJXAUZRLUUNBL-TUKIKUTGSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574959814 949719795 /nfs/dbraw/zinc/71/97/95/949719795.db2.gz ULJXAUZRLUUNBL-TUKIKUTGSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170465 949719707 /nfs/dbraw/zinc/71/97/07/949719707.db2.gz LARUNJUKIDVQAM-FZMZJTMJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576170532 949724757 /nfs/dbraw/zinc/72/47/57/949724757.db2.gz MBQUCDHCPCNNHF-GXTWGEPZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576170532 949724771 /nfs/dbraw/zinc/72/47/71/949724771.db2.gz MBQUCDHCPCNNHF-GXTWGEPZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H](C)n1ccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574717042 949725041 /nfs/dbraw/zinc/72/50/41/949725041.db2.gz SPQKXRPGDFESQF-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCc1cscn1 ZINC001575276540 949725291 /nfs/dbraw/zinc/72/52/91/949725291.db2.gz KELWWSUIRHQQOU-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCc1cscn1 ZINC001575276540 949725305 /nfs/dbraw/zinc/72/53/05/949725305.db2.gz KELWWSUIRHQQOU-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574960234 949725864 /nfs/dbraw/zinc/72/58/64/949725864.db2.gz VTACOTDTVPZRLM-MRVWCRGKSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574960234 949725880 /nfs/dbraw/zinc/72/58/80/949725880.db2.gz VTACOTDTVPZRLM-MRVWCRGKSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881698 949726975 /nfs/dbraw/zinc/72/69/75/949726975.db2.gz ZSKIAOXAOYMZHD-JQWIXIFHSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881698 949726980 /nfs/dbraw/zinc/72/69/80/949726980.db2.gz ZSKIAOXAOYMZHD-JQWIXIFHSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276761 949731254 /nfs/dbraw/zinc/73/12/54/949731254.db2.gz LAZYDQCFHUAMTJ-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276761 949731263 /nfs/dbraw/zinc/73/12/63/949731263.db2.gz LAZYDQCFHUAMTJ-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574479303 949731783 /nfs/dbraw/zinc/73/17/83/949731783.db2.gz DNVJOHYRUULNNG-NXEZZACHSA-N -1 3 391.411 0.108 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574479303 949731797 /nfs/dbraw/zinc/73/17/97/949731797.db2.gz DNVJOHYRUULNNG-NXEZZACHSA-N -1 3 391.411 0.108 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574479272 949731898 /nfs/dbraw/zinc/73/18/98/949731898.db2.gz DFLADGZIGAZSRM-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574479272 949731918 /nfs/dbraw/zinc/73/19/18/949731918.db2.gz DFLADGZIGAZSRM-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574479306 949734102 /nfs/dbraw/zinc/73/41/02/949734102.db2.gz DNVJOHYRUULNNG-ZJUUUORDSA-N -1 3 391.411 0.108 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574479306 949734115 /nfs/dbraw/zinc/73/41/15/949734115.db2.gz DNVJOHYRUULNNG-ZJUUUORDSA-N -1 3 391.411 0.108 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574135804 949737039 /nfs/dbraw/zinc/73/70/39/949737039.db2.gz MXLFTJQGVBQCGT-NILFDRSVSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574135804 949737060 /nfs/dbraw/zinc/73/70/60/949737060.db2.gz MXLFTJQGVBQCGT-NILFDRSVSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575558724 949741222 /nfs/dbraw/zinc/74/12/22/949741222.db2.gz RLWRNKQUEHWELL-SLAGJKONSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575558724 949741237 /nfs/dbraw/zinc/74/12/37/949741237.db2.gz RLWRNKQUEHWELL-SLAGJKONSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574717729 949741678 /nfs/dbraw/zinc/74/16/78/949741678.db2.gz WUVXBSGTZQDWPW-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574717729 949741691 /nfs/dbraw/zinc/74/16/91/949741691.db2.gz WUVXBSGTZQDWPW-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1ccn[nH]1 ZINC001576170854 949742667 /nfs/dbraw/zinc/74/26/67/949742667.db2.gz NZSKBMSQTGXMGH-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881906 949743318 /nfs/dbraw/zinc/74/33/18/949743318.db2.gz CXLKLHVSGHETFZ-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881906 949743339 /nfs/dbraw/zinc/74/33/39/949743339.db2.gz CXLKLHVSGHETFZ-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCc1cncn1C ZINC001575277235 949744385 /nfs/dbraw/zinc/74/43/85/949744385.db2.gz PDCVSNAKBYVUGK-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCc1cncn1C ZINC001575277235 949744404 /nfs/dbraw/zinc/74/44/04/949744404.db2.gz PDCVSNAKBYVUGK-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574717796 949745949 /nfs/dbraw/zinc/74/59/49/949745949.db2.gz PYCHXMMZBBAOSL-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574717796 949745966 /nfs/dbraw/zinc/74/59/66/949745966.db2.gz PYCHXMMZBBAOSL-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cncnc1 ZINC001575881991 949747117 /nfs/dbraw/zinc/74/71/17/949747117.db2.gz FAJSJBAXXZEIFV-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cncnc1 ZINC001575881991 949747129 /nfs/dbraw/zinc/74/71/29/949747129.db2.gz FAJSJBAXXZEIFV-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cncnc1 ZINC001575881988 949748071 /nfs/dbraw/zinc/74/80/71/949748071.db2.gz FAJSJBAXXZEIFV-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cncnc1 ZINC001575881988 949748076 /nfs/dbraw/zinc/74/80/76/949748076.db2.gz FAJSJBAXXZEIFV-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnn(C)c1 ZINC001575882055 949748359 /nfs/dbraw/zinc/74/83/59/949748359.db2.gz FVFFLURLIOHALI-ZWNOBZJWSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnn(C)c1 ZINC001575882055 949748378 /nfs/dbraw/zinc/74/83/78/949748378.db2.gz FVFFLURLIOHALI-ZWNOBZJWSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574480416 949749604 /nfs/dbraw/zinc/74/96/04/949749604.db2.gz IGXYEFKZYZYCFZ-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574480416 949749619 /nfs/dbraw/zinc/74/96/19/949749619.db2.gz IGXYEFKZYZYCFZ-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574963292 949750889 /nfs/dbraw/zinc/75/08/89/949750889.db2.gz HUXFFMFZXVOQOA-JOYOIKCWSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574963292 949750904 /nfs/dbraw/zinc/75/09/04/949750904.db2.gz HUXFFMFZXVOQOA-JOYOIKCWSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574480512 949753766 /nfs/dbraw/zinc/75/37/66/949753766.db2.gz JKROPVCBMBCJSU-AAEUAGOBSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574480512 949753782 /nfs/dbraw/zinc/75/37/82/949753782.db2.gz JKROPVCBMBCJSU-AAEUAGOBSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN(C)CCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576171236 949755182 /nfs/dbraw/zinc/75/51/82/949755182.db2.gz PPSHQNHLYSPMQO-CYBMUJFWSA-N -1 3 388.476 0.457 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575559280 949756649 /nfs/dbraw/zinc/75/66/49/949756649.db2.gz WFQZMZRZSUUSIT-BKTMZONDSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575559280 949756669 /nfs/dbraw/zinc/75/66/69/949756669.db2.gz WFQZMZRZSUUSIT-BKTMZONDSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574718045 949757850 /nfs/dbraw/zinc/75/78/50/949757850.db2.gz RMORQDHUPQHZEP-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574718045 949757863 /nfs/dbraw/zinc/75/78/63/949757863.db2.gz RMORQDHUPQHZEP-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574963786 949760918 /nfs/dbraw/zinc/76/09/18/949760918.db2.gz NDIAOVSGWDMSBG-ZWNOBZJWSA-N -1 3 375.408 0.839 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574963786 949760935 /nfs/dbraw/zinc/76/09/35/949760935.db2.gz NDIAOVSGWDMSBG-ZWNOBZJWSA-N -1 3 375.408 0.839 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574963775 949761078 /nfs/dbraw/zinc/76/10/78/949761078.db2.gz MYJBJVZATHCARS-IAQYHMDHSA-N -1 3 389.435 0.611 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574963775 949761092 /nfs/dbraw/zinc/76/10/92/949761092.db2.gz MYJBJVZATHCARS-IAQYHMDHSA-N -1 3 389.435 0.611 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574964063 949763868 /nfs/dbraw/zinc/76/38/68/949763868.db2.gz PGYHXDPQQUDSJP-UTUOFQBUSA-N -1 3 389.435 0.848 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574964063 949763887 /nfs/dbraw/zinc/76/38/87/949763887.db2.gz PGYHXDPQQUDSJP-UTUOFQBUSA-N -1 3 389.435 0.848 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574480932 949764975 /nfs/dbraw/zinc/76/49/75/949764975.db2.gz LOPQFPGXVNRJGU-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574480932 949764993 /nfs/dbraw/zinc/76/49/93/949764993.db2.gz LOPQFPGXVNRJGU-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCNC1=O ZINC001573821306 949767110 /nfs/dbraw/zinc/76/71/10/949767110.db2.gz AAKRFJGOQJWSIQ-OLZOCXBDSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCNC1=O ZINC001573821306 949767120 /nfs/dbraw/zinc/76/71/20/949767120.db2.gz AAKRFJGOQJWSIQ-OLZOCXBDSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CC(=O)NC(C)(C)C ZINC001575882306 949768217 /nfs/dbraw/zinc/76/82/17/949768217.db2.gz INVGFKRPBVDEGA-WCQYABFASA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cnoc2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575882337 949769117 /nfs/dbraw/zinc/76/91/17/949769117.db2.gz IXFPBAHQALCCDD-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cnoc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882337 949769125 /nfs/dbraw/zinc/76/91/25/949769125.db2.gz IXFPBAHQALCCDD-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CC(=O)NC(C)(C)C ZINC001575882304 949770068 /nfs/dbraw/zinc/77/00/68/949770068.db2.gz INVGFKRPBVDEGA-AAEUAGOBSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574964226 949770720 /nfs/dbraw/zinc/77/07/20/949770720.db2.gz SEDIKKUQBSHIEY-TVYUQYBPSA-N -1 3 391.407 0.203 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574964226 949770733 /nfs/dbraw/zinc/77/07/33/949770733.db2.gz SEDIKKUQBSHIEY-TVYUQYBPSA-N -1 3 391.407 0.203 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1ncnn1 ZINC001573821432 949771339 /nfs/dbraw/zinc/77/13/39/949771339.db2.gz BXCICTKBOCVWCM-NSHDSACASA-N -1 3 389.399 0.030 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1ncnn1 ZINC001573821432 949771356 /nfs/dbraw/zinc/77/13/56/949771356.db2.gz BXCICTKBOCVWCM-NSHDSACASA-N -1 3 389.399 0.030 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882408 949772960 /nfs/dbraw/zinc/77/29/60/949772960.db2.gz KGHPSTGHNLIEEY-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882410 949773810 /nfs/dbraw/zinc/77/38/10/949773810.db2.gz KGHPSTGHNLIEEY-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574964352 949775526 /nfs/dbraw/zinc/77/55/26/949775526.db2.gz USNLTYGZUQJHBU-QMTHXVAHSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574964352 949775545 /nfs/dbraw/zinc/77/55/45/949775545.db2.gz USNLTYGZUQJHBU-QMTHXVAHSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574964413 949776600 /nfs/dbraw/zinc/77/66/00/949776600.db2.gz WBDUCMXFXYSVHN-BXKDBHETSA-N -1 3 392.851 0.525 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574964413 949776609 /nfs/dbraw/zinc/77/66/09/949776609.db2.gz WBDUCMXFXYSVHN-BXKDBHETSA-N -1 3 392.851 0.525 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574481454 949777749 /nfs/dbraw/zinc/77/77/49/949777749.db2.gz PZLRFEKTOVEDSO-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574481454 949777759 /nfs/dbraw/zinc/77/77/59/949777759.db2.gz PZLRFEKTOVEDSO-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H]1CCCN(C(=O)CN(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576171751 949778716 /nfs/dbraw/zinc/77/87/16/949778716.db2.gz RXBWQKCSCIBRCM-ZDUSSCGKSA-N -1 3 388.476 0.457 20 0 GCADHM C[C@H]1CCCN(C(=O)CN(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576171751 949778719 /nfs/dbraw/zinc/77/87/19/949778719.db2.gz RXBWQKCSCIBRCM-ZDUSSCGKSA-N -1 3 388.476 0.457 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001576171778 949781458 /nfs/dbraw/zinc/78/14/58/949781458.db2.gz SDKFHLBJDHGENZ-CYBMUJFWSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001576171778 949781467 /nfs/dbraw/zinc/78/14/67/949781467.db2.gz SDKFHLBJDHGENZ-CYBMUJFWSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CC1(O)CCC1 ZINC001575882541 949781716 /nfs/dbraw/zinc/78/17/16/949781716.db2.gz MOPNSBAALSLXLR-DGCLKSJQSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CC1(O)CCC1 ZINC001575882541 949781734 /nfs/dbraw/zinc/78/17/34/949781734.db2.gz MOPNSBAALSLXLR-DGCLKSJQSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001576171813 949783406 /nfs/dbraw/zinc/78/34/06/949783406.db2.gz STYXVMCYIVAMLY-ZDUSSCGKSA-N -1 3 392.485 0.935 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001576171813 949783418 /nfs/dbraw/zinc/78/34/18/949783418.db2.gz STYXVMCYIVAMLY-ZDUSSCGKSA-N -1 3 392.485 0.935 20 0 GCADHM C[C@]1(C(=O)NC2(CCO)CN(Cc3ccccc3-c3nnn[n-]3)C2)CCOC1 ZINC001575560332 949783728 /nfs/dbraw/zinc/78/37/28/949783728.db2.gz ONMAZEBCVXQTRU-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@]1(C(=O)NC2(CCO)CN(Cc3ccccc3-c3nn[n-]n3)C2)CCOC1 ZINC001575560332 949783743 /nfs/dbraw/zinc/78/37/43/949783743.db2.gz ONMAZEBCVXQTRU-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)C1CCOCC1 ZINC001575882823 949790895 /nfs/dbraw/zinc/79/08/95/949790895.db2.gz OIOJFVNZVLSRKD-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)C1CCOCC1 ZINC001575882823 949790904 /nfs/dbraw/zinc/79/09/04/949790904.db2.gz OIOJFVNZVLSRKD-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576172053 949792829 /nfs/dbraw/zinc/79/28/29/949792829.db2.gz UMEIHXYYJDKQLU-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576172053 949792848 /nfs/dbraw/zinc/79/28/48/949792848.db2.gz UMEIHXYYJDKQLU-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882847 949794242 /nfs/dbraw/zinc/79/42/42/949794242.db2.gz AYVYCOZBRJOVKI-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882847 949794258 /nfs/dbraw/zinc/79/42/58/949794258.db2.gz AYVYCOZBRJOVKI-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)COC1CCCC1 ZINC001575281048 949795965 /nfs/dbraw/zinc/79/59/65/949795965.db2.gz BZETYRJEMQMXDA-WDEREUQCSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)COC1CCCC1 ZINC001575281048 949795992 /nfs/dbraw/zinc/79/59/92/949795992.db2.gz BZETYRJEMQMXDA-WDEREUQCSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574965549 949798568 /nfs/dbraw/zinc/79/85/68/949798568.db2.gz GVGQJRIEHSTIGW-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574965549 949798575 /nfs/dbraw/zinc/79/85/75/949798575.db2.gz GVGQJRIEHSTIGW-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574481779 949798642 /nfs/dbraw/zinc/79/86/42/949798642.db2.gz VJDYNFKCEKCZGN-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574481779 949798652 /nfs/dbraw/zinc/79/86/52/949798652.db2.gz VJDYNFKCEKCZGN-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574720628 949799070 /nfs/dbraw/zinc/79/90/70/949799070.db2.gz DXURHLRCONDWDO-LLVKDONJSA-N -1 3 381.462 0.345 20 0 GCADHM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574720628 949799078 /nfs/dbraw/zinc/79/90/78/949799078.db2.gz DXURHLRCONDWDO-LLVKDONJSA-N -1 3 381.462 0.345 20 0 GCADHM C[C@@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCCC2)CCOC1 ZINC001575561013 949799743 /nfs/dbraw/zinc/79/97/43/949799743.db2.gz XHVZZBRUMMAJQA-QGZVFWFLSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCCC2)CCOC1 ZINC001575561013 949799756 /nfs/dbraw/zinc/79/97/56/949799756.db2.gz XHVZZBRUMMAJQA-QGZVFWFLSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(Cl)no1 ZINC001575883116 949802062 /nfs/dbraw/zinc/80/20/62/949802062.db2.gz CQZATLKYHGFMDV-CBAPKCEASA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(Cl)no1 ZINC001575883116 949802093 /nfs/dbraw/zinc/80/20/93/949802093.db2.gz CQZATLKYHGFMDV-CBAPKCEASA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001576172394 949804335 /nfs/dbraw/zinc/80/43/35/949804335.db2.gz WQNCRGFLHJLJQQ-LLVKDONJSA-N -1 3 379.446 0.189 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001576172394 949804357 /nfs/dbraw/zinc/80/43/57/949804357.db2.gz WQNCRGFLHJLJQQ-LLVKDONJSA-N -1 3 379.446 0.189 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573822757 949804198 /nfs/dbraw/zinc/80/41/98/949804198.db2.gz MDKRAOZKXXSTDH-YPMHNXCESA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573822757 949804223 /nfs/dbraw/zinc/80/42/23/949804223.db2.gz MDKRAOZKXXSTDH-YPMHNXCESA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](NC(=O)COc1ccsc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575281104 949804222 /nfs/dbraw/zinc/80/42/22/949804222.db2.gz DCFXQTCKMWPVLQ-ZJUUUORDSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@@H](NC(=O)COc1ccsc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575281104 949804246 /nfs/dbraw/zinc/80/42/46/949804246.db2.gz DCFXQTCKMWPVLQ-ZJUUUORDSA-N -1 3 389.441 0.958 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573822820 949809211 /nfs/dbraw/zinc/80/92/11/949809211.db2.gz NQWPPZALKNXION-DGCLKSJQSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573822820 949809233 /nfs/dbraw/zinc/80/92/33/949809233.db2.gz NQWPPZALKNXION-DGCLKSJQSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574481918 949810136 /nfs/dbraw/zinc/81/01/36/949810136.db2.gz XLYJNQWIXXLXEO-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574481918 949810161 /nfs/dbraw/zinc/81/01/61/949810161.db2.gz XLYJNQWIXXLXEO-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721431 949815797 /nfs/dbraw/zinc/81/57/97/949815797.db2.gz LIKPFMQQPMNASC-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721431 949815812 /nfs/dbraw/zinc/81/58/12/949815812.db2.gz LIKPFMQQPMNASC-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)c1[nH]ncc1Br)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574965770 949816008 /nfs/dbraw/zinc/81/60/08/949816008.db2.gz LPWHGIWNDKZOKT-SSDOTTSWSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@H](CNC(=O)c1[nH]ncc1Br)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574965770 949816022 /nfs/dbraw/zinc/81/60/22/949816022.db2.gz LPWHGIWNDKZOKT-SSDOTTSWSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575883488 949817516 /nfs/dbraw/zinc/81/75/16/949817516.db2.gz RBUZMLSFFQILAM-PRHQYYMVSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575883488 949817543 /nfs/dbraw/zinc/81/75/43/949817543.db2.gz RBUZMLSFFQILAM-PRHQYYMVSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cccc1 ZINC001575883577 949818883 /nfs/dbraw/zinc/81/88/83/949818883.db2.gz RLIGHXZZDJOPJC-GXTWGEPZSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cccc1 ZINC001575883577 949818907 /nfs/dbraw/zinc/81/89/07/949818907.db2.gz RLIGHXZZDJOPJC-GXTWGEPZSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574721473 949819027 /nfs/dbraw/zinc/81/90/27/949819027.db2.gz MBBRBENZPGJFEN-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574721473 949819046 /nfs/dbraw/zinc/81/90/46/949819046.db2.gz MBBRBENZPGJFEN-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575883513 949820731 /nfs/dbraw/zinc/82/07/31/949820731.db2.gz RFOQPHMGNABHEY-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575883513 949820752 /nfs/dbraw/zinc/82/07/52/949820752.db2.gz RFOQPHMGNABHEY-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574139711 949824371 /nfs/dbraw/zinc/82/43/71/949824371.db2.gz LGQZVAOIBMSCKK-AAEUAGOBSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574139711 949824396 /nfs/dbraw/zinc/82/43/96/949824396.db2.gz LGQZVAOIBMSCKK-AAEUAGOBSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCNC1=O ZINC001573823413 949828632 /nfs/dbraw/zinc/82/86/32/949828632.db2.gz WOLGUUAQDWVNOF-AAEUAGOBSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCNC1=O ZINC001573823413 949828655 /nfs/dbraw/zinc/82/86/55/949828655.db2.gz WOLGUUAQDWVNOF-AAEUAGOBSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576173082 949830510 /nfs/dbraw/zinc/83/05/10/949830510.db2.gz WSVAIPKCHXCKFF-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576173082 949830530 /nfs/dbraw/zinc/83/05/30/949830530.db2.gz WSVAIPKCHXCKFF-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574483615 949830989 /nfs/dbraw/zinc/83/09/89/949830989.db2.gz FVQVXYUTYMTSHA-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574483615 949831002 /nfs/dbraw/zinc/83/10/02/949831002.db2.gz FVQVXYUTYMTSHA-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCNC1=O ZINC001573823422 949831236 /nfs/dbraw/zinc/83/12/36/949831236.db2.gz WOLGUUAQDWVNOF-WCQYABFASA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCNC1=O ZINC001573823422 949831256 /nfs/dbraw/zinc/83/12/56/949831256.db2.gz WOLGUUAQDWVNOF-WCQYABFASA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)c1cnn(C)c1 ZINC001574483674 949835220 /nfs/dbraw/zinc/83/52/20/949835220.db2.gz HXQLIBAPEDKYJD-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)c1cnn(C)c1 ZINC001574483674 949835241 /nfs/dbraw/zinc/83/52/41/949835241.db2.gz HXQLIBAPEDKYJD-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574483716 949835279 /nfs/dbraw/zinc/83/52/79/949835279.db2.gz JJNVURMZWCRHTH-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574483716 949835305 /nfs/dbraw/zinc/83/53/05/949835305.db2.gz JJNVURMZWCRHTH-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574483703 949838005 /nfs/dbraw/zinc/83/80/05/949838005.db2.gz JBZZQWOIKBMHRU-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574483703 949838023 /nfs/dbraw/zinc/83/80/23/949838023.db2.gz JBZZQWOIKBMHRU-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574966107 949838962 /nfs/dbraw/zinc/83/89/62/949838962.db2.gz URWWOWVMVVBEAR-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574966107 949838982 /nfs/dbraw/zinc/83/89/82/949838982.db2.gz URWWOWVMVVBEAR-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](NC(=O)CN1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001575282500 949839276 /nfs/dbraw/zinc/83/92/76/949839276.db2.gz CKIJVTRHRQFZLX-LBPRGKRZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](NC(=O)CN1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001575282500 949839302 /nfs/dbraw/zinc/83/93/02/949839302.db2.gz CKIJVTRHRQFZLX-LBPRGKRZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574483668 949839226 /nfs/dbraw/zinc/83/92/26/949839226.db2.gz HWUKYWIPUPRRHA-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574483668 949839248 /nfs/dbraw/zinc/83/92/48/949839248.db2.gz HWUKYWIPUPRRHA-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575282752 949841591 /nfs/dbraw/zinc/84/15/91/949841591.db2.gz MHNHTCKWVJUQAM-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575282752 949841610 /nfs/dbraw/zinc/84/16/10/949841610.db2.gz MHNHTCKWVJUQAM-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575282708 949842134 /nfs/dbraw/zinc/84/21/34/949842134.db2.gz LUUCVUHBRFROSH-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575282708 949842157 /nfs/dbraw/zinc/84/21/57/949842157.db2.gz LUUCVUHBRFROSH-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576173812 949842311 /nfs/dbraw/zinc/84/23/11/949842311.db2.gz ZDQNCNITNXPGRC-WCQYABFASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576173812 949842341 /nfs/dbraw/zinc/84/23/41/949842341.db2.gz ZDQNCNITNXPGRC-WCQYABFASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575282747 949842850 /nfs/dbraw/zinc/84/28/50/949842850.db2.gz MHNHTCKWVJUQAM-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575282747 949842874 /nfs/dbraw/zinc/84/28/74/949842874.db2.gz MHNHTCKWVJUQAM-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573824020 949844978 /nfs/dbraw/zinc/84/49/78/949844978.db2.gz CGDFCOIJKUPLSI-GFCCVEGCSA-N -1 3 387.448 0.405 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573824020 949844993 /nfs/dbraw/zinc/84/49/93/949844993.db2.gz CGDFCOIJKUPLSI-GFCCVEGCSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575282701 949845193 /nfs/dbraw/zinc/84/51/93/949845193.db2.gz LTLWFXAFMQJJKC-VXGBXAGGSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575282701 949845207 /nfs/dbraw/zinc/84/52/07/949845207.db2.gz LTLWFXAFMQJJKC-VXGBXAGGSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](NC(=O)CCn1ccnc1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575282993 949847996 /nfs/dbraw/zinc/84/79/96/949847996.db2.gz DOVDJEHITNFFQM-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM C[C@@H](NC(=O)CCn1ccnc1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575282993 949848023 /nfs/dbraw/zinc/84/80/23/949848023.db2.gz DOVDJEHITNFFQM-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574723051 949851088 /nfs/dbraw/zinc/85/10/88/949851088.db2.gz ZQCKZFAYTMCPJO-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574723051 949851112 /nfs/dbraw/zinc/85/11/12/949851112.db2.gz ZQCKZFAYTMCPJO-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574723720 949855753 /nfs/dbraw/zinc/85/57/53/949855753.db2.gz CATJPNVGPYZLLJ-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574723720 949855796 /nfs/dbraw/zinc/85/57/96/949855796.db2.gz CATJPNVGPYZLLJ-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1nn(C)cc1Cl ZINC001574966992 949858388 /nfs/dbraw/zinc/85/83/88/949858388.db2.gz DGJTVBAVZUKGFV-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1nn(C)cc1Cl ZINC001574966992 949858411 /nfs/dbraw/zinc/85/84/11/949858411.db2.gz DGJTVBAVZUKGFV-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001576177793 949860549 /nfs/dbraw/zinc/86/05/49/949860549.db2.gz BPNJRAJXLJLBLN-JOYOIKCWSA-N -1 3 386.395 0.872 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNc1ncnc2c1ncn2C ZINC001574967032 949860783 /nfs/dbraw/zinc/86/07/83/949860783.db2.gz DWAPPUFHADSZJK-SECBINFHSA-N -1 3 381.404 0.350 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNc1ncnc2c1ncn2C ZINC001574967032 949860801 /nfs/dbraw/zinc/86/08/01/949860801.db2.gz DWAPPUFHADSZJK-SECBINFHSA-N -1 3 381.404 0.350 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573825177 949861620 /nfs/dbraw/zinc/86/16/20/949861620.db2.gz LNBVTYDFSJEGKX-KGPNIALWSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573825177 949861643 /nfs/dbraw/zinc/86/16/43/949861643.db2.gz LNBVTYDFSJEGKX-KGPNIALWSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccn1 ZINC001574484082 949862360 /nfs/dbraw/zinc/86/23/60/949862360.db2.gz SZIZAANPOXAPBS-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccn1 ZINC001574484082 949862378 /nfs/dbraw/zinc/86/23/78/949862378.db2.gz SZIZAANPOXAPBS-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](CNC(=O)C(=O)N1CCC(C)CC1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001576177871 949863952 /nfs/dbraw/zinc/86/39/52/949863952.db2.gz CRXUREMYQBPIBC-CYBMUJFWSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](CNC(=O)C(=O)N1CCC(C)CC1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001576177871 949863977 /nfs/dbraw/zinc/86/39/77/949863977.db2.gz CRXUREMYQBPIBC-CYBMUJFWSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574484143 949865333 /nfs/dbraw/zinc/86/53/33/949865333.db2.gz CVALCTPSSIINPS-RYUDHWBXSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574484143 949865351 /nfs/dbraw/zinc/86/53/51/949865351.db2.gz CVALCTPSSIINPS-RYUDHWBXSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1nnc2n1CCCCC2 ZINC001575283358 949867131 /nfs/dbraw/zinc/86/71/31/949867131.db2.gz OLFVVFFYEBIKRC-NSHDSACASA-N -1 3 382.432 0.869 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1nnc2n1CCCCC2 ZINC001575283358 949867152 /nfs/dbraw/zinc/86/71/52/949867152.db2.gz OLFVVFFYEBIKRC-NSHDSACASA-N -1 3 382.432 0.869 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001575283403 949869751 /nfs/dbraw/zinc/86/97/51/949869751.db2.gz FZYOGJMBAJDZFM-VHSXEESVSA-N -1 3 391.411 0.121 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001575283403 949869769 /nfs/dbraw/zinc/86/97/69/949869769.db2.gz FZYOGJMBAJDZFM-VHSXEESVSA-N -1 3 391.411 0.121 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576177935 949871216 /nfs/dbraw/zinc/87/12/16/949871216.db2.gz ABBDEJFVCKVDLZ-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576177935 949871241 /nfs/dbraw/zinc/87/12/41/949871241.db2.gz ABBDEJFVCKVDLZ-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575283400 949871252 /nfs/dbraw/zinc/87/12/52/949871252.db2.gz ORVLIYUKNHMIIF-NWDGAFQWSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575283400 949871276 /nfs/dbraw/zinc/87/12/76/949871276.db2.gz ORVLIYUKNHMIIF-NWDGAFQWSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575283399 949871621 /nfs/dbraw/zinc/87/16/21/949871621.db2.gz FZYOGJMBAJDZFM-NXEZZACHSA-N -1 3 391.411 0.121 20 0 GCADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575283399 949871634 /nfs/dbraw/zinc/87/16/34/949871634.db2.gz FZYOGJMBAJDZFM-NXEZZACHSA-N -1 3 391.411 0.121 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cn1ccnc1 ZINC001575886183 949876248 /nfs/dbraw/zinc/87/62/48/949876248.db2.gz XKGNEVXMZXLOEV-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575886147 949877638 /nfs/dbraw/zinc/87/76/38/949877638.db2.gz XGCAYTRZPLZBIE-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575886147 949877662 /nfs/dbraw/zinc/87/76/62/949877662.db2.gz XGCAYTRZPLZBIE-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cn1ccnc1 ZINC001575886190 949879295 /nfs/dbraw/zinc/87/92/95/949879295.db2.gz XKGNEVXMZXLOEV-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H](C)c1cccnc1 ZINC001574967977 949879842 /nfs/dbraw/zinc/87/98/42/949879842.db2.gz KSQCBYCAXKWQLC-VXGBXAGGSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H](C)c1cccnc1 ZINC001574967977 949879862 /nfs/dbraw/zinc/87/98/62/949879862.db2.gz KSQCBYCAXKWQLC-VXGBXAGGSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001574968030 949880563 /nfs/dbraw/zinc/88/05/63/949880563.db2.gz LEYNRAOMPXTMOT-BONVTDFDSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001574968030 949880585 /nfs/dbraw/zinc/88/05/85/949880585.db2.gz LEYNRAOMPXTMOT-BONVTDFDSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575283744 949884152 /nfs/dbraw/zinc/88/41/52/949884152.db2.gz HHRAENBYOULSFJ-UWVGGRQHSA-N -1 3 390.423 0.574 20 0 GCADHM C[C@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575283744 949884172 /nfs/dbraw/zinc/88/41/72/949884172.db2.gz HHRAENBYOULSFJ-UWVGGRQHSA-N -1 3 390.423 0.574 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ocnc1C1CC1 ZINC001574967935 949885021 /nfs/dbraw/zinc/88/50/21/949885021.db2.gz KBECLWWLRUWROZ-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ocnc1C1CC1 ZINC001574967935 949885041 /nfs/dbraw/zinc/88/50/41/949885041.db2.gz KBECLWWLRUWROZ-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CC(=O)N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574484555 949885905 /nfs/dbraw/zinc/88/59/05/949885905.db2.gz JWHQSMWTFFAGRN-LLVKDONJSA-N -1 3 390.423 0.491 20 0 GCADHM C[C@H](CC(=O)N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574484555 949885918 /nfs/dbraw/zinc/88/59/18/949885918.db2.gz JWHQSMWTFFAGRN-LLVKDONJSA-N -1 3 390.423 0.491 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484610 949889105 /nfs/dbraw/zinc/88/91/05/949889105.db2.gz KVFYDDRQVOKKOX-DGCLKSJQSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484610 949889126 /nfs/dbraw/zinc/88/91/26/949889126.db2.gz KVFYDDRQVOKKOX-DGCLKSJQSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccncc1)C1CC1 ZINC001574968344 949894712 /nfs/dbraw/zinc/89/47/12/949894712.db2.gz OCIKMQCSEKEKQV-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccncc1)C1CC1 ZINC001574968344 949894727 /nfs/dbraw/zinc/89/47/27/949894727.db2.gz OCIKMQCSEKEKQV-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001574968532 949896226 /nfs/dbraw/zinc/89/62/26/949896226.db2.gz POOMNUJWXSXEPP-SCLBCKFNSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001574968532 949896236 /nfs/dbraw/zinc/89/62/36/949896236.db2.gz POOMNUJWXSXEPP-SCLBCKFNSA-N -1 3 387.444 0.779 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143435 949897616 /nfs/dbraw/zinc/89/76/16/949897616.db2.gz HOPDOVXNDZIMDQ-TZMCWYRMSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143435 949897635 /nfs/dbraw/zinc/89/76/35/949897635.db2.gz HOPDOVXNDZIMDQ-TZMCWYRMSA-N -1 3 375.433 0.635 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)CCOCC1 ZINC001575568880 949899622 /nfs/dbraw/zinc/89/96/22/949899622.db2.gz CECFIPGBDUDXEM-UONOGXRCSA-N -1 3 387.444 0.134 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)CCOCC1 ZINC001575568880 949899640 /nfs/dbraw/zinc/89/96/40/949899640.db2.gz CECFIPGBDUDXEM-UONOGXRCSA-N -1 3 387.444 0.134 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575887211 949900133 /nfs/dbraw/zinc/90/01/33/949900133.db2.gz OAFRKICCTCUXLI-BXUZGUMPSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575887211 949900153 /nfs/dbraw/zinc/90/01/53/949900153.db2.gz OAFRKICCTCUXLI-BXUZGUMPSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575284300 949900393 /nfs/dbraw/zinc/90/03/93/949900393.db2.gz UAQICSWVXIMYGO-RYUDHWBXSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575284300 949900415 /nfs/dbraw/zinc/90/04/15/949900415.db2.gz UAQICSWVXIMYGO-RYUDHWBXSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574484746 949900326 /nfs/dbraw/zinc/90/03/26/949900326.db2.gz NGXTYGBWIYKKTO-ONGXEEELSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574484746 949900350 /nfs/dbraw/zinc/90/03/50/949900350.db2.gz NGXTYGBWIYKKTO-ONGXEEELSA-N -1 3 391.411 0.251 20 0 GCADHM CC(C)C[C@H](C)N(C)C(=O)CN(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574144007 949901814 /nfs/dbraw/zinc/90/18/14/949901814.db2.gz KBWJAQZNRJBCIP-ZDUSSCGKSA-N -1 3 390.492 0.749 20 0 GCADHM CC(C)C[C@H](C)N(C)C(=O)CN(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574144007 949901828 /nfs/dbraw/zinc/90/18/28/949901828.db2.gz KBWJAQZNRJBCIP-ZDUSSCGKSA-N -1 3 390.492 0.749 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576178845 949902780 /nfs/dbraw/zinc/90/27/80/949902780.db2.gz JDOHFPQCNROWHO-JQWIXIFHSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576178845 949902801 /nfs/dbraw/zinc/90/28/01/949902801.db2.gz JDOHFPQCNROWHO-JQWIXIFHSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1n[nH]c2c1CCC2 ZINC001574968786 949907275 /nfs/dbraw/zinc/90/72/75/949907275.db2.gz SFQYWXHILKRBDI-SECBINFHSA-N -1 3 383.416 0.203 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cn2c(n1)CCC2 ZINC001574968798 949907740 /nfs/dbraw/zinc/90/77/40/949907740.db2.gz SLRHGQXWDXFJAC-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cn2c(n1)CCC2 ZINC001574968798 949907761 /nfs/dbraw/zinc/90/77/61/949907761.db2.gz SLRHGQXWDXFJAC-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574725735 949910778 /nfs/dbraw/zinc/91/07/78/949910778.db2.gz CFYZYMUAMMWITI-JQWIXIFHSA-N -1 3 379.396 0.465 20 0 GCADHM C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574725735 949910793 /nfs/dbraw/zinc/91/07/93/949910793.db2.gz CFYZYMUAMMWITI-JQWIXIFHSA-N -1 3 379.396 0.465 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575284610 949911301 /nfs/dbraw/zinc/91/13/01/949911301.db2.gz KAVHHTVYRBZBMG-DGCLKSJQSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)C(=O)OCc1ccccc1 ZINC001575284672 949911638 /nfs/dbraw/zinc/91/16/38/949911638.db2.gz VGYGNKZFOKHELZ-LBPRGKRZSA-N -1 3 381.396 0.922 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)C(=O)OCc1ccccc1 ZINC001575284672 949911659 /nfs/dbraw/zinc/91/16/59/949911659.db2.gz VGYGNKZFOKHELZ-LBPRGKRZSA-N -1 3 381.396 0.922 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001573826758 949911986 /nfs/dbraw/zinc/91/19/86/949911986.db2.gz IUJYJAGJWYGSSV-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001573826758 949911999 /nfs/dbraw/zinc/91/19/99/949911999.db2.gz IUJYJAGJWYGSSV-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284703 949914899 /nfs/dbraw/zinc/91/48/99/949914899.db2.gz VWTWMYRDTQDMNZ-NWDGAFQWSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284703 949914913 /nfs/dbraw/zinc/91/49/13/949914913.db2.gz VWTWMYRDTQDMNZ-NWDGAFQWSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C1=COCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574144622 949916273 /nfs/dbraw/zinc/91/62/73/949916273.db2.gz QIXMVFOZHAPNEQ-LBPRGKRZSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C1=COCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574144622 949916292 /nfs/dbraw/zinc/91/62/92/949916292.db2.gz QIXMVFOZHAPNEQ-LBPRGKRZSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@H](CNC(=O)C1=COCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574144621 949917050 /nfs/dbraw/zinc/91/70/50/949917050.db2.gz QIXMVFOZHAPNEQ-GFCCVEGCSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@H](CNC(=O)C1=COCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574144621 949917066 /nfs/dbraw/zinc/91/70/66/949917066.db2.gz QIXMVFOZHAPNEQ-GFCCVEGCSA-N -1 3 389.416 0.344 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)COc1cccnc1 ZINC001575284721 949918265 /nfs/dbraw/zinc/91/82/65/949918265.db2.gz WBACLOJNKLGMKW-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)COc1cccnc1 ZINC001575284721 949918281 /nfs/dbraw/zinc/91/82/81/949918281.db2.gz WBACLOJNKLGMKW-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001574968987 949923022 /nfs/dbraw/zinc/92/30/22/949923022.db2.gz XJSRVEAJLWTQNH-KSSFIOAISA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001574968987 949923038 /nfs/dbraw/zinc/92/30/38/949923038.db2.gz XJSRVEAJLWTQNH-KSSFIOAISA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574726181 949926491 /nfs/dbraw/zinc/92/64/91/949926491.db2.gz GKPWUUJCVWLELP-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574726181 949926509 /nfs/dbraw/zinc/92/65/09/949926509.db2.gz GKPWUUJCVWLELP-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COC1CCCC1 ZINC001575889022 949926344 /nfs/dbraw/zinc/92/63/44/949926344.db2.gz RCHDZWZWYWDCEK-FZMZJTMJSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COC1CCCC1 ZINC001575889022 949926363 /nfs/dbraw/zinc/92/63/63/949926363.db2.gz RCHDZWZWYWDCEK-FZMZJTMJSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574485687 949927556 /nfs/dbraw/zinc/92/75/56/949927556.db2.gz YUVZKQSZDSYWPS-AAEUAGOBSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1)NC(N)=O 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/nfs/dbraw/zinc/93/09/71/949930971.db2.gz SZMMTDMZLCVRCR-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575889616 949930987 /nfs/dbraw/zinc/93/09/87/949930987.db2.gz SZMMTDMZLCVRCR-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C1=CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574146054 949934167 /nfs/dbraw/zinc/93/41/67/949934167.db2.gz WOLCGPKYVQQONY-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C1=CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574146054 949934179 /nfs/dbraw/zinc/93/41/79/949934179.db2.gz WOLCGPKYVQQONY-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCNC(=O)C1 ZINC001575570264 949938602 /nfs/dbraw/zinc/93/86/02/949938602.db2.gz RBLWTACEBMCPJY-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCNC(=O)C1 ZINC001575570264 949938622 /nfs/dbraw/zinc/93/86/22/949938622.db2.gz RBLWTACEBMCPJY-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](NC(=O)CCn1cccn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575285202 949938856 /nfs/dbraw/zinc/93/88/56/949938856.db2.gz LTSYMYXVXNLJPV-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM C[C@H](NC(=O)CCn1cccn1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575285202 949938877 /nfs/dbraw/zinc/93/88/77/949938877.db2.gz LTSYMYXVXNLJPV-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCOCC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574726472 949940368 /nfs/dbraw/zinc/94/03/68/949940368.db2.gz IRILBFHTCRSXLP-LBPRGKRZSA-N -1 3 377.424 0.597 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCOCC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574726472 949940395 /nfs/dbraw/zinc/94/03/95/949940395.db2.gz IRILBFHTCRSXLP-LBPRGKRZSA-N -1 3 377.424 0.597 20 0 GCADHM CC(C)(C)CC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573828807 949941300 /nfs/dbraw/zinc/94/13/00/949941300.db2.gz UXYQFENRGZWRKN-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573828807 949941316 /nfs/dbraw/zinc/94/13/16/949941316.db2.gz UXYQFENRGZWRKN-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H](CN(C)C(=O)COC1CCCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574726480 949941770 /nfs/dbraw/zinc/94/17/70/949941770.db2.gz IYFQGOHHIDUQTF-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)COC1CCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574726480 949941785 /nfs/dbraw/zinc/94/17/85/949941785.db2.gz IYFQGOHHIDUQTF-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574146279 949941978 /nfs/dbraw/zinc/94/19/78/949941978.db2.gz XHCCEABYGHUADK-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574146279 949941991 /nfs/dbraw/zinc/94/19/91/949941991.db2.gz XHCCEABYGHUADK-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1c(Cl)cnn1C 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/nfs/dbraw/zinc/94/80/18/949948018.db2.gz WNSOAZMSSXYQLM-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCNC(=O)C1 ZINC001575570917 949948034 /nfs/dbraw/zinc/94/80/34/949948034.db2.gz WNSOAZMSSXYQLM-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CN(C)C(=O)COC1CCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574726917 949948434 /nfs/dbraw/zinc/94/84/34/949948434.db2.gz MKSFYJJRMLFHLR-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)COC1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574726917 949948450 /nfs/dbraw/zinc/94/84/50/949948450.db2.gz MKSFYJJRMLFHLR-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C)cn1 ZINC001574147763 949950451 /nfs/dbraw/zinc/95/04/51/949950451.db2.gz BXDNQPLAPXZURZ-NSHDSACASA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C)cn1 ZINC001574147763 949950473 /nfs/dbraw/zinc/95/04/73/949950473.db2.gz BXDNQPLAPXZURZ-NSHDSACASA-N -1 3 385.432 0.503 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)COC(C)(C)C ZINC001575890399 949951877 /nfs/dbraw/zinc/95/18/77/949951877.db2.gz XHXOLVXGCXSOTJ-CMPLNLGQSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)COC(C)(C)C ZINC001575890399 949951895 /nfs/dbraw/zinc/95/18/95/949951895.db2.gz XHXOLVXGCXSOTJ-CMPLNLGQSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCCOC1 ZINC001575571167 949951939 /nfs/dbraw/zinc/95/19/39/949951939.db2.gz XXNTWNPQUYANNN-PXAZEXFGSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCCOC1 ZINC001575571167 949951950 /nfs/dbraw/zinc/95/19/50/949951950.db2.gz XXNTWNPQUYANNN-PXAZEXFGSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575890552 949956671 /nfs/dbraw/zinc/95/66/71/949956671.db2.gz XXEISOFXSREZNJ-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575890552 949956684 /nfs/dbraw/zinc/95/66/84/949956684.db2.gz XXEISOFXSREZNJ-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575890576 949959376 /nfs/dbraw/zinc/95/93/76/949959376.db2.gz YJMKDZIGKJEOIW-PWSUYJOCSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575890576 949959397 /nfs/dbraw/zinc/95/93/97/949959397.db2.gz YJMKDZIGKJEOIW-PWSUYJOCSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574489322 949959636 /nfs/dbraw/zinc/95/96/36/949959636.db2.gz IKFGBQFCDUNLKR-QWRGUYRKSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574489322 949959657 /nfs/dbraw/zinc/95/96/57/949959657.db2.gz IKFGBQFCDUNLKR-QWRGUYRKSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H](C)n1ccnc1 ZINC001574973973 949960608 /nfs/dbraw/zinc/96/06/08/949960608.db2.gz JVXIIVQDAUPYAP-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576180496 949960863 /nfs/dbraw/zinc/96/08/63/949960863.db2.gz DNJJHUWKMPARGM-GXTWGEPZSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576180496 949960876 /nfs/dbraw/zinc/96/08/76/949960876.db2.gz DNJJHUWKMPARGM-GXTWGEPZSA-N -1 3 386.460 0.814 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147909 949960979 /nfs/dbraw/zinc/96/09/79/949960979.db2.gz GFQARKPAPJEIGG-ZDUSSCGKSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147909 949961002 /nfs/dbraw/zinc/96/10/02/949961002.db2.gz GFQARKPAPJEIGG-ZDUSSCGKSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCOC1 ZINC001574147916 949961130 /nfs/dbraw/zinc/96/11/30/949961130.db2.gz GHJMLBQXGCCQBR-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCOC1 ZINC001574147916 949961149 /nfs/dbraw/zinc/96/11/49/949961149.db2.gz GHJMLBQXGCCQBR-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575571812 949961314 /nfs/dbraw/zinc/96/13/14/949961314.db2.gz AVEQBFNFFKHDTE-FZKQIMNGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575571812 949961332 /nfs/dbraw/zinc/96/13/32/949961332.db2.gz AVEQBFNFFKHDTE-FZKQIMNGSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727300 949961454 /nfs/dbraw/zinc/96/14/54/949961454.db2.gz RMJKDOAZEBGHAR-LLVKDONJSA-N -1 3 381.462 0.344 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727300 949961471 /nfs/dbraw/zinc/96/14/71/949961471.db2.gz RMJKDOAZEBGHAR-LLVKDONJSA-N -1 3 381.462 0.344 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)CC(=O)Nc1nccs1 ZINC001574974115 949967140 /nfs/dbraw/zinc/96/71/40/949967140.db2.gz KUEXYVZFHHFYAT-SECBINFHSA-N -1 3 389.445 0.340 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)Nc1nccs1 ZINC001574974115 949967164 /nfs/dbraw/zinc/96/71/64/949967164.db2.gz KUEXYVZFHHFYAT-SECBINFHSA-N -1 3 389.445 0.340 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574489654 949967229 /nfs/dbraw/zinc/96/72/29/949967229.db2.gz KFHNTJQBPDCCNE-AGIUHOORSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574489654 949967253 /nfs/dbraw/zinc/96/72/53/949967253.db2.gz KFHNTJQBPDCCNE-AGIUHOORSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575890840 949968599 /nfs/dbraw/zinc/96/85/99/949968599.db2.gz AHQLYALDJSVYBI-JQWIXIFHSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575890840 949968625 /nfs/dbraw/zinc/96/86/25/949968625.db2.gz AHQLYALDJSVYBI-JQWIXIFHSA-N -1 3 384.400 0.535 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccn(C)n1 ZINC001574148073 949970694 /nfs/dbraw/zinc/97/06/94/949970694.db2.gz KAHSVVCOFTWJAS-NSHDSACASA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccn(C)n1 ZINC001574148073 949970709 /nfs/dbraw/zinc/97/07/09/949970709.db2.gz KAHSVVCOFTWJAS-NSHDSACASA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCNC(=O)C1 ZINC001575572334 949972348 /nfs/dbraw/zinc/97/23/48/949972348.db2.gz GACBNZFHFIMILY-RDTXWAMCSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCNC(=O)C1 ZINC001575572334 949972359 /nfs/dbraw/zinc/97/23/59/949972359.db2.gz GACBNZFHFIMILY-RDTXWAMCSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001574974212 949973665 /nfs/dbraw/zinc/97/36/65/949973665.db2.gz MEECXOGKLQKPON-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001574974212 949973683 /nfs/dbraw/zinc/97/36/83/949973683.db2.gz MEECXOGKLQKPON-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1ncc(F)cc1F ZINC001574974216 949973728 /nfs/dbraw/zinc/97/37/28/949973728.db2.gz MJAFSEPMLVTYMR-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1ncc(F)cc1F ZINC001574974216 949973752 /nfs/dbraw/zinc/97/37/52/949973752.db2.gz MJAFSEPMLVTYMR-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccn(C)n1 ZINC001574148072 949973841 /nfs/dbraw/zinc/97/38/41/949973841.db2.gz KAHSVVCOFTWJAS-LLVKDONJSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccn(C)n1 ZINC001574148072 949973857 /nfs/dbraw/zinc/97/38/57/949973857.db2.gz KAHSVVCOFTWJAS-LLVKDONJSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573830387 949974040 /nfs/dbraw/zinc/97/40/40/949974040.db2.gz LPZYVTREMOATGN-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573830387 949974058 /nfs/dbraw/zinc/97/40/58/949974058.db2.gz LPZYVTREMOATGN-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573830428 949974553 /nfs/dbraw/zinc/97/45/53/949974553.db2.gz MRBORQZYCHCGLB-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573830428 949974566 /nfs/dbraw/zinc/97/45/66/949974566.db2.gz MRBORQZYCHCGLB-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575286180 949975226 /nfs/dbraw/zinc/97/52/26/949975226.db2.gz UDOZTRCVZCZXLP-FZMZJTMJSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575286180 949975246 /nfs/dbraw/zinc/97/52/46/949975246.db2.gz UDOZTRCVZCZXLP-FZMZJTMJSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](NC(=O)CN1CC([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001575286238 949975465 /nfs/dbraw/zinc/97/54/65/949975465.db2.gz UYSWKHGSJFVJRD-MNOVXSKESA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H](NC(=O)CN1CC([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575286238 949975491 /nfs/dbraw/zinc/97/54/91/949975491.db2.gz UYSWKHGSJFVJRD-MNOVXSKESA-N -1 3 386.460 0.160 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573830643 949975877 /nfs/dbraw/zinc/97/58/77/949975877.db2.gz MYHYEABGHIHTOD-GWCFXTLKSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573830643 949975897 /nfs/dbraw/zinc/97/58/97/949975897.db2.gz MYHYEABGHIHTOD-GWCFXTLKSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cncc(F)c1 ZINC001575890971 949975670 /nfs/dbraw/zinc/97/56/70/949975670.db2.gz CGFWJJUNCLWDED-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cncc(F)c1 ZINC001575890971 949975693 /nfs/dbraw/zinc/97/56/93/949975693.db2.gz CGFWJJUNCLWDED-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)C[C@@H](CNC(=O)COC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148131 949977416 /nfs/dbraw/zinc/97/74/16/949977416.db2.gz LBCRGZQGUSAHRE-ZDUSSCGKSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@@H](CNC(=O)COC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148131 949977431 /nfs/dbraw/zinc/97/74/31/949977431.db2.gz LBCRGZQGUSAHRE-ZDUSSCGKSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573830636 949977602 /nfs/dbraw/zinc/97/76/02/949977602.db2.gz MUMCZLJDUWPUOO-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573830636 949977613 /nfs/dbraw/zinc/97/76/13/949977613.db2.gz MUMCZLJDUWPUOO-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1ccnc1 ZINC001574148157 949978683 /nfs/dbraw/zinc/97/86/83/949978683.db2.gz LLZALINUZRSPDG-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(F)cn1 ZINC001575891048 949978909 /nfs/dbraw/zinc/97/89/09/949978909.db2.gz DKDNFSYXRXXVRG-KOLCDFICSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(F)cn1 ZINC001575891048 949978930 /nfs/dbraw/zinc/97/89/30/949978930.db2.gz DKDNFSYXRXXVRG-KOLCDFICSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cnns1 ZINC001575890990 949979112 /nfs/dbraw/zinc/97/91/12/949979112.db2.gz CLZJURCOCQPWMS-RKDXNWHRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cnns1 ZINC001575890990 949979137 /nfs/dbraw/zinc/97/91/37/949979137.db2.gz CLZJURCOCQPWMS-RKDXNWHRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)c1ccco1 ZINC001574490026 949979940 /nfs/dbraw/zinc/97/99/40/949979940.db2.gz NEPIJWNEKNWBFW-GDLCADMTSA-N -1 3 399.411 0.283 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)c1ccco1 ZINC001574490026 949979946 /nfs/dbraw/zinc/97/99/46/949979946.db2.gz NEPIJWNEKNWBFW-GDLCADMTSA-N -1 3 399.411 0.283 20 0 GCADHM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727714 949981547 /nfs/dbraw/zinc/98/15/47/949981547.db2.gz YHZXDQGXNCNSOQ-GXTWGEPZSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727714 949981566 /nfs/dbraw/zinc/98/15/66/949981566.db2.gz YHZXDQGXNCNSOQ-GXTWGEPZSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nnsc1Cl ZINC001574974474 949985388 /nfs/dbraw/zinc/98/53/88/949985388.db2.gz AEAUVIFYNFEQJV-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nnsc1Cl ZINC001574974474 949985400 /nfs/dbraw/zinc/98/54/00/949985400.db2.gz AEAUVIFYNFEQJV-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001576181029 949986804 /nfs/dbraw/zinc/98/68/04/949986804.db2.gz GUNDKMALUGCZBV-CQSZACIVSA-N -1 3 386.460 0.257 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001576181029 949986822 /nfs/dbraw/zinc/98/68/22/949986822.db2.gz GUNDKMALUGCZBV-CQSZACIVSA-N -1 3 386.460 0.257 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573831010 949987363 /nfs/dbraw/zinc/98/73/63/949987363.db2.gz QOBIAQUYRPHXOH-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573831010 949987382 /nfs/dbraw/zinc/98/73/82/949987382.db2.gz QOBIAQUYRPHXOH-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)N[C@@](C)(CNc1ncccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574490193 949987472 /nfs/dbraw/zinc/98/74/72/949987472.db2.gz OHYAQQLUBXLMSL-BTDLBPIBSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@H](CC(=O)N[C@@](C)(CNc1ncccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574490193 949987494 /nfs/dbraw/zinc/98/74/94/949987494.db2.gz OHYAQQLUBXLMSL-BTDLBPIBSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575891169 949988030 /nfs/dbraw/zinc/98/80/30/949988030.db2.gz GCNKFBGMGCNFHM-CMPLNLGQSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575891169 949988048 /nfs/dbraw/zinc/98/80/48/949988048.db2.gz GCNKFBGMGCNFHM-CMPLNLGQSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575891172 949988533 /nfs/dbraw/zinc/98/85/33/949988533.db2.gz GCNKFBGMGCNFHM-ZYHUDNBSSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575891172 949988552 /nfs/dbraw/zinc/98/85/52/949988552.db2.gz GCNKFBGMGCNFHM-ZYHUDNBSSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575891171 949990668 /nfs/dbraw/zinc/99/06/68/949990668.db2.gz GCNKFBGMGCNFHM-PWSUYJOCSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575891171 949990686 /nfs/dbraw/zinc/99/06/86/949990686.db2.gz GCNKFBGMGCNFHM-PWSUYJOCSA-N -1 3 381.400 0.545 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574148828 949991218 /nfs/dbraw/zinc/99/12/18/949991218.db2.gz QYCQBCLYXBACCO-CXTNEJHOSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574148828 949991240 /nfs/dbraw/zinc/99/12/40/949991240.db2.gz QYCQBCLYXBACCO-CXTNEJHOSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001573831292 949992210 /nfs/dbraw/zinc/99/22/10/949992210.db2.gz SYCCDSQGHRWLRE-WCQYABFASA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001573831292 949992222 /nfs/dbraw/zinc/99/22/22/949992222.db2.gz SYCCDSQGHRWLRE-WCQYABFASA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNc1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574490409 949993026 /nfs/dbraw/zinc/99/30/26/949993026.db2.gz RDEAWDQPRULHAG-VHSXEESVSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNc1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574490409 949993044 /nfs/dbraw/zinc/99/30/44/949993044.db2.gz RDEAWDQPRULHAG-VHSXEESVSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@@H](NC(=O)CN(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)C1CC1 ZINC001575287001 949993266 /nfs/dbraw/zinc/99/32/66/949993266.db2.gz ZFTZJBVVVAIYMV-LLVKDONJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)C1CC1 ZINC001575287002 949996711 /nfs/dbraw/zinc/99/67/11/949996711.db2.gz ZFTZJBVVVAIYMV-NSHDSACASA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)(C)CC(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573831398 949997299 /nfs/dbraw/zinc/99/72/99/949997299.db2.gz XIEVICADEIDWFC-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573831398 949997317 /nfs/dbraw/zinc/99/73/17/949997317.db2.gz XIEVICADEIDWFC-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1ccon1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574148924 949998320 /nfs/dbraw/zinc/99/83/20/949998320.db2.gz SODMVRPWGBWABV-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1ccon1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148924 949998336 /nfs/dbraw/zinc/99/83/36/949998336.db2.gz SODMVRPWGBWABV-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cn1ccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148874 949998634 /nfs/dbraw/zinc/99/86/34/949998634.db2.gz ROJQOFADSXFCAP-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1CCOC1 ZINC001574148889 949998732 /nfs/dbraw/zinc/99/87/32/949998732.db2.gz RWECFXGRSPEMFA-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1CCOC1 ZINC001574148889 949998748 /nfs/dbraw/zinc/99/87/48/949998748.db2.gz RWECFXGRSPEMFA-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H]1CCOC1 ZINC001574148891 949999855 /nfs/dbraw/zinc/99/98/55/949999855.db2.gz RWECFXGRSPEMFA-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CCOC1 ZINC001574148891 949999877 /nfs/dbraw/zinc/99/98/77/949999877.db2.gz RWECFXGRSPEMFA-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573831466 950000123 /nfs/dbraw/zinc/00/01/23/950000123.db2.gz YYIIIKISRDPYGW-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573831466 950000140 /nfs/dbraw/zinc/00/01/40/950000140.db2.gz YYIIIKISRDPYGW-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H]1CCOC1 ZINC001574148890 950000682 /nfs/dbraw/zinc/00/06/82/950000682.db2.gz RWECFXGRSPEMFA-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CCOC1 ZINC001574148890 950000701 /nfs/dbraw/zinc/00/07/01/950000701.db2.gz RWECFXGRSPEMFA-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001575891317 950001313 /nfs/dbraw/zinc/00/13/13/950001313.db2.gz HXBLUELQYKKIRA-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001575891317 950001335 /nfs/dbraw/zinc/00/13/35/950001335.db2.gz HXBLUELQYKKIRA-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)CC1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576181392 950002628 /nfs/dbraw/zinc/00/26/28/950002628.db2.gz UHEWWVFDGSRLRZ-LBPRGKRZSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)CC1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576181392 950002652 /nfs/dbraw/zinc/00/26/52/950002652.db2.gz UHEWWVFDGSRLRZ-LBPRGKRZSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575891311 950002821 /nfs/dbraw/zinc/00/28/21/950002821.db2.gz HWOQYNMGSUYHFH-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575891311 950002843 /nfs/dbraw/zinc/00/28/43/950002843.db2.gz HWOQYNMGSUYHFH-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccn(C)n1 ZINC001574149191 950003202 /nfs/dbraw/zinc/00/32/02/950003202.db2.gz UVCPAZADHOBMSA-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccn(C)n1 ZINC001574149191 950003222 /nfs/dbraw/zinc/00/32/22/950003222.db2.gz UVCPAZADHOBMSA-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575891507 950009221 /nfs/dbraw/zinc/00/92/21/950009221.db2.gz KRILEMAJQUYLNK-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575891507 950009243 /nfs/dbraw/zinc/00/92/43/950009243.db2.gz KRILEMAJQUYLNK-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncccn1 ZINC001574149539 950010248 /nfs/dbraw/zinc/01/02/48/950010248.db2.gz WATFHHWOEIAPRI-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncccn1 ZINC001574149539 950010269 /nfs/dbraw/zinc/01/02/69/950010269.db2.gz WATFHHWOEIAPRI-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001574490656 950011975 /nfs/dbraw/zinc/01/19/75/950011975.db2.gz WVLGMKCEWBSYFK-SNPRPXQTSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001574490656 950012002 /nfs/dbraw/zinc/01/20/02/950012002.db2.gz WVLGMKCEWBSYFK-SNPRPXQTSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001574490662 950013399 /nfs/dbraw/zinc/01/33/99/950013399.db2.gz WYQFXDOBFOSJBK-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001574490662 950013420 /nfs/dbraw/zinc/01/34/20/950013420.db2.gz WYQFXDOBFOSJBK-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150121 950013677 /nfs/dbraw/zinc/01/36/77/950013677.db2.gz XUXLAERFXCQYOZ-DGCLKSJQSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150121 950013698 /nfs/dbraw/zinc/01/36/98/950013698.db2.gz XUXLAERFXCQYOZ-DGCLKSJQSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575891477 950013879 /nfs/dbraw/zinc/01/38/79/950013879.db2.gz KCKDATQMIQZESY-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575891477 950013900 /nfs/dbraw/zinc/01/39/00/950013900.db2.gz KCKDATQMIQZESY-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575574295 950014058 /nfs/dbraw/zinc/01/40/58/950014058.db2.gz SMXAVXFXXGECDB-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575574295 950014083 /nfs/dbraw/zinc/01/40/83/950014083.db2.gz SMXAVXFXXGECDB-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001574149703 950016425 /nfs/dbraw/zinc/01/64/25/950016425.db2.gz XFPSEOWUSBUISE-NSHDSACASA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001574149703 950016448 /nfs/dbraw/zinc/01/64/48/950016448.db2.gz XFPSEOWUSBUISE-NSHDSACASA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cnoc1 ZINC001574150157 950021698 /nfs/dbraw/zinc/02/16/98/950021698.db2.gz YJYJZUIYPSVWAU-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cnoc1 ZINC001574150157 950021720 /nfs/dbraw/zinc/02/17/20/950021720.db2.gz YJYJZUIYPSVWAU-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150186 950021968 /nfs/dbraw/zinc/02/19/68/950021968.db2.gz YWRGJSZHLYKUGF-CXTNEJHOSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150186 950021988 /nfs/dbraw/zinc/02/19/88/950021988.db2.gz YWRGJSZHLYKUGF-CXTNEJHOSA-N -1 3 387.444 0.348 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H](C)NC(N)=O ZINC001574490832 950022161 /nfs/dbraw/zinc/02/21/61/950022161.db2.gz ZVSMFWCIBRMKCT-RKDXNWHRSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H](C)NC(N)=O ZINC001574490832 950022185 /nfs/dbraw/zinc/02/21/85/950022185.db2.gz ZVSMFWCIBRMKCT-RKDXNWHRSA-N -1 3 379.400 0.154 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnns1 ZINC001574150173 950023033 /nfs/dbraw/zinc/02/30/33/950023033.db2.gz YSTMGYUFGVUPDZ-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnns1 ZINC001574150173 950023056 /nfs/dbraw/zinc/02/30/56/950023056.db2.gz YSTMGYUFGVUPDZ-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C2CC2)CCNC1=O ZINC001575574547 950023964 /nfs/dbraw/zinc/02/39/64/950023964.db2.gz WIHGGLLUFHWBQO-SCLBCKFNSA-N -1 3 387.419 0.839 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)CCNC1=O ZINC001575574547 950023989 /nfs/dbraw/zinc/02/39/89/950023989.db2.gz WIHGGLLUFHWBQO-SCLBCKFNSA-N -1 3 387.419 0.839 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1ncnn1C(C)(C)C ZINC001574975258 950025222 /nfs/dbraw/zinc/02/52/22/950025222.db2.gz HIINBORNBBEMCS-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1ncnn1C(C)(C)C ZINC001574975258 950025245 /nfs/dbraw/zinc/02/52/45/950025245.db2.gz HIINBORNBBEMCS-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573835112 950032560 /nfs/dbraw/zinc/03/25/60/950032560.db2.gz OSXHNCXQUOZMOS-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573835112 950032584 /nfs/dbraw/zinc/03/25/84/950032584.db2.gz OSXHNCXQUOZMOS-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cncnc1 ZINC001574150854 950039337 /nfs/dbraw/zinc/03/93/37/950039337.db2.gz FQSZMJOWZYLRSV-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cncnc1 ZINC001574150854 950039357 /nfs/dbraw/zinc/03/93/57/950039357.db2.gz FQSZMJOWZYLRSV-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cncnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574150962 950044376 /nfs/dbraw/zinc/04/43/76/950044376.db2.gz IDXHTHQGFDTAGE-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cncnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574150962 950044399 /nfs/dbraw/zinc/04/43/99/950044399.db2.gz IDXHTHQGFDTAGE-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575891946 950045486 /nfs/dbraw/zinc/04/54/86/950045486.db2.gz PPHXHECDQCNJNA-NWDGAFQWSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575891946 950045506 /nfs/dbraw/zinc/04/55/06/950045506.db2.gz PPHXHECDQCNJNA-NWDGAFQWSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1CCCN1c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1Cc1nnn(C)n1 ZINC001576182396 950047833 /nfs/dbraw/zinc/04/78/33/950047833.db2.gz ZHKDSFRROCXHNR-NSHDSACASA-N -1 3 392.431 0.686 20 0 GCADHM C[C@H]1CCCN1c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1Cc1nnn(C)n1 ZINC001576182396 950047850 /nfs/dbraw/zinc/04/78/50/950047850.db2.gz ZHKDSFRROCXHNR-NSHDSACASA-N -1 3 392.431 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1cncs1 ZINC001574975758 950049444 /nfs/dbraw/zinc/04/94/44/950049444.db2.gz ZNJVLZMLEUOCHM-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cncs1 ZINC001574975758 950049471 /nfs/dbraw/zinc/04/94/71/950049471.db2.gz ZNJVLZMLEUOCHM-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1csnn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151000 950050064 /nfs/dbraw/zinc/05/00/64/950050064.db2.gz IZGGAIXHFUOLQU-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1csnn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151000 950050084 /nfs/dbraw/zinc/05/00/84/950050084.db2.gz IZGGAIXHFUOLQU-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cn(C)cn1 ZINC001575892016 950051300 /nfs/dbraw/zinc/05/13/00/950051300.db2.gz QMJPRPKIDDDXMN-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cn(C)cn1 ZINC001575892016 950051320 /nfs/dbraw/zinc/05/13/20/950051320.db2.gz QMJPRPKIDDDXMN-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccn1 ZINC001574491963 950051948 /nfs/dbraw/zinc/05/19/48/950051948.db2.gz HVCCEEXNCXGSIQ-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccn1 ZINC001574491963 950051965 /nfs/dbraw/zinc/05/19/65/950051965.db2.gz HVCCEEXNCXGSIQ-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574975947 950052315 /nfs/dbraw/zinc/05/23/15/950052315.db2.gz KRQXXVWUUWPSQK-JQWIXIFHSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574975947 950052335 /nfs/dbraw/zinc/05/23/35/950052335.db2.gz KRQXXVWUUWPSQK-JQWIXIFHSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)NC(N)=O ZINC001574492009 950056220 /nfs/dbraw/zinc/05/62/20/950056220.db2.gz IEQOWRSBBPWRBE-ZYHUDNBSSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](Nc2ncccc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575575515 950057796 /nfs/dbraw/zinc/05/77/96/950057796.db2.gz KCVHGMOYXBRQDJ-FZKQIMNGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](Nc2ncccc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575575515 950057818 /nfs/dbraw/zinc/05/78/18/950057818.db2.gz KCVHGMOYXBRQDJ-FZKQIMNGSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)(C)CC(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573835607 950059792 /nfs/dbraw/zinc/05/97/92/950059792.db2.gz ZHTHFIMCJXGDEG-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573835607 950059812 /nfs/dbraw/zinc/05/98/12/950059812.db2.gz ZHTHFIMCJXGDEG-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574976212 950063859 /nfs/dbraw/zinc/06/38/59/950063859.db2.gz NZSNHBDBVQDMBI-GXFFZTMASA-N -1 3 381.396 0.606 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574976212 950063881 /nfs/dbraw/zinc/06/38/81/950063881.db2.gz NZSNHBDBVQDMBI-GXFFZTMASA-N -1 3 381.396 0.606 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575892281 950064772 /nfs/dbraw/zinc/06/47/72/950064772.db2.gz VGBUWBPLZQWGDY-DGCLKSJQSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575892281 950064794 /nfs/dbraw/zinc/06/47/94/950064794.db2.gz VGBUWBPLZQWGDY-DGCLKSJQSA-N -1 3 382.428 0.956 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573835830 950068378 /nfs/dbraw/zinc/06/83/78/950068378.db2.gz CSVGCQRKSCKGHF-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573835830 950068396 /nfs/dbraw/zinc/06/83/96/950068396.db2.gz CSVGCQRKSCKGHF-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576182918 950069801 /nfs/dbraw/zinc/06/98/01/950069801.db2.gz PXMPCFKNHJVUQS-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576182918 950069811 /nfs/dbraw/zinc/06/98/11/950069811.db2.gz PXMPCFKNHJVUQS-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575892562 950073045 /nfs/dbraw/zinc/07/30/45/950073045.db2.gz YBANEBXWKREEJV-CMPLNLGQSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575892562 950073061 /nfs/dbraw/zinc/07/30/61/950073061.db2.gz YBANEBXWKREEJV-CMPLNLGQSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575892604 950073152 /nfs/dbraw/zinc/07/31/52/950073152.db2.gz YIURJFMMFMHLFM-CHWSQXEVSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575892604 950073169 /nfs/dbraw/zinc/07/31/69/950073169.db2.gz YIURJFMMFMHLFM-CHWSQXEVSA-N -1 3 382.428 0.806 20 0 GCADHM O=C([O-])[C@@H]1CCCN(c2ccc(CN3CCC4(CC3)NC(=O)NC4=O)o2)C1 ZINC001595291746 950075018 /nfs/dbraw/zinc/07/50/18/950075018.db2.gz LUYPPNVBFWHVEU-GFCCVEGCSA-N -1 3 376.413 0.755 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575892622 950075580 /nfs/dbraw/zinc/07/55/80/950075580.db2.gz YLZDSNSUBGUHNU-ZJUUUORDSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575892622 950075594 /nfs/dbraw/zinc/07/55/94/950075594.db2.gz YLZDSNSUBGUHNU-ZJUUUORDSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC1CCCC1 ZINC001574976398 950075912 /nfs/dbraw/zinc/07/59/12/950075912.db2.gz RWERYCDXBBRZTK-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC1CCCC1 ZINC001574976398 950075933 /nfs/dbraw/zinc/07/59/33/950075933.db2.gz RWERYCDXBBRZTK-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001575892558 950076342 /nfs/dbraw/zinc/07/63/42/950076342.db2.gz XYUOMUNNMYBISN-JGVFFNPUSA-N -1 3 388.413 0.390 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574492458 950080200 /nfs/dbraw/zinc/08/02/00/950080200.db2.gz MXTBEHDIGZKDLZ-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574492458 950080220 /nfs/dbraw/zinc/08/02/20/950080220.db2.gz MXTBEHDIGZKDLZ-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573836508 950082426 /nfs/dbraw/zinc/08/24/26/950082426.db2.gz MLCQYQYFRJQIIV-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573836508 950082445 /nfs/dbraw/zinc/08/24/45/950082445.db2.gz MLCQYQYFRJQIIV-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573836443 950084428 /nfs/dbraw/zinc/08/44/28/950084428.db2.gz LAZYFEJDFGLTLC-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573836443 950084447 /nfs/dbraw/zinc/08/44/47/950084447.db2.gz LAZYFEJDFGLTLC-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575893638 950088646 /nfs/dbraw/zinc/08/86/46/950088646.db2.gz BBPYECNMBXLOKN-JOYOIKCWSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575893638 950088660 /nfs/dbraw/zinc/08/86/60/950088660.db2.gz BBPYECNMBXLOKN-JOYOIKCWSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575893905 950090865 /nfs/dbraw/zinc/09/08/65/950090865.db2.gz BVLXQJZOWHZQGB-GHMZBOCLSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575893905 950090886 /nfs/dbraw/zinc/09/08/86/950090886.db2.gz BVLXQJZOWHZQGB-GHMZBOCLSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccnnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151796 950091918 /nfs/dbraw/zinc/09/19/18/950091918.db2.gz YHQISWVSCIDLRI-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccnnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151796 950091939 /nfs/dbraw/zinc/09/19/39/950091939.db2.gz YHQISWVSCIDLRI-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001574976620 950093604 /nfs/dbraw/zinc/09/36/04/950093604.db2.gz WTOJVPQRDNAEHP-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001574976620 950093624 /nfs/dbraw/zinc/09/36/24/950093624.db2.gz WTOJVPQRDNAEHP-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574492599 950093894 /nfs/dbraw/zinc/09/38/94/950093894.db2.gz BRWSGBNQIGXBCV-DGCLKSJQSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001574492599 950093909 /nfs/dbraw/zinc/09/39/09/950093909.db2.gz BRWSGBNQIGXBCV-DGCLKSJQSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CCOCC2)CCOC1 ZINC001575581995 950096051 /nfs/dbraw/zinc/09/60/51/950096051.db2.gz BBYRURBENHRMJK-QGZVFWFLSA-N -1 3 387.444 0.766 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CCOCC2)CCOC1 ZINC001575581995 950096072 /nfs/dbraw/zinc/09/60/72/950096072.db2.gz BBYRURBENHRMJK-QGZVFWFLSA-N -1 3 387.444 0.766 20 0 GCADHM C[C@H](CN(C)C(=O)Cc1ncccc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574733105 950097387 /nfs/dbraw/zinc/09/73/87/950097387.db2.gz RZWVLEXPXGOKCX-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CN(C)C(=O)Cc1ncccc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574733105 950097403 /nfs/dbraw/zinc/09/74/03/950097403.db2.gz RZWVLEXPXGOKCX-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574492684 950099617 /nfs/dbraw/zinc/09/96/17/950099617.db2.gz OMYUWLDECDDXGI-NWDGAFQWSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574492684 950099636 /nfs/dbraw/zinc/09/96/36/950099636.db2.gz OMYUWLDECDDXGI-NWDGAFQWSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574976848 950102261 /nfs/dbraw/zinc/10/22/61/950102261.db2.gz CAUOWKCERIDBDM-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574976848 950102280 /nfs/dbraw/zinc/10/22/80/950102280.db2.gz CAUOWKCERIDBDM-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575894675 950106807 /nfs/dbraw/zinc/10/68/07/950106807.db2.gz FSTPHHIBGCOHKU-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575894675 950106814 /nfs/dbraw/zinc/10/68/14/950106814.db2.gz FSTPHHIBGCOHKU-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574492870 950107966 /nfs/dbraw/zinc/10/79/66/950107966.db2.gz DKRRWKGZPLURAW-GHMZBOCLSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574492870 950107987 /nfs/dbraw/zinc/10/79/87/950107987.db2.gz DKRRWKGZPLURAW-GHMZBOCLSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1ccn[nH]1 ZINC001576183971 950109089 /nfs/dbraw/zinc/10/90/89/950109089.db2.gz UPHDSYSIXDREJZ-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1nc2c(s1)CCC2 ZINC001574977080 950111599 /nfs/dbraw/zinc/11/15/99/950111599.db2.gz GQUKFAQACHJCDL-MRVPVSSYSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1nc2c(s1)CCC2 ZINC001574977080 950111615 /nfs/dbraw/zinc/11/16/15/950111615.db2.gz GQUKFAQACHJCDL-MRVPVSSYSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574977237 950114824 /nfs/dbraw/zinc/11/48/24/950114824.db2.gz HVAGIKOYZGSONT-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574977237 950114855 /nfs/dbraw/zinc/11/48/55/950114855.db2.gz HVAGIKOYZGSONT-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM CC1(C(=O)NCC2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575582496 950116947 /nfs/dbraw/zinc/11/69/47/950116947.db2.gz DNEANFNJPLUGMW-UHFFFAOYSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NCC2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575582496 950116963 /nfs/dbraw/zinc/11/69/63/950116963.db2.gz DNEANFNJPLUGMW-UHFFFAOYSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n(C)n1 ZINC001574977270 950118967 /nfs/dbraw/zinc/11/89/67/950118967.db2.gz IVNMSSQWKROPHI-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n(C)n1 ZINC001574977270 950118976 /nfs/dbraw/zinc/11/89/76/950118976.db2.gz IVNMSSQWKROPHI-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574733570 950119688 /nfs/dbraw/zinc/11/96/88/950119688.db2.gz DLKVFFNVDRSAGR-ZWNOBZJWSA-N -1 3 375.408 0.885 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574733570 950119696 /nfs/dbraw/zinc/11/96/96/950119696.db2.gz DLKVFFNVDRSAGR-ZWNOBZJWSA-N -1 3 375.408 0.885 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574977576 950120198 /nfs/dbraw/zinc/12/01/98/950120198.db2.gz LRFKVERHVCFNTN-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574977576 950120212 /nfs/dbraw/zinc/12/02/12/950120212.db2.gz LRFKVERHVCFNTN-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cn(C)nc1Cl ZINC001574977539 950120631 /nfs/dbraw/zinc/12/06/31/950120631.db2.gz KXSIASBZDNUZDH-QMMMGPOBSA-N -1 3 391.823 0.059 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cn(C)nc1Cl ZINC001574977539 950120640 /nfs/dbraw/zinc/12/06/40/950120640.db2.gz KXSIASBZDNUZDH-QMMMGPOBSA-N -1 3 391.823 0.059 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnns2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896150 950124345 /nfs/dbraw/zinc/12/43/45/950124345.db2.gz KQKBJTCFCHKKOM-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnns2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896150 950124355 /nfs/dbraw/zinc/12/43/55/950124355.db2.gz KQKBJTCFCHKKOM-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H](CC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574493244 950124542 /nfs/dbraw/zinc/12/45/42/950124542.db2.gz RGLLHWHVAKWTIR-PNESKVBLSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574493244 950124555 /nfs/dbraw/zinc/12/45/55/950124555.db2.gz RGLLHWHVAKWTIR-PNESKVBLSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)CCOC1 ZINC001575582671 950124664 /nfs/dbraw/zinc/12/46/64/950124664.db2.gz LZJSZWSXZPNZBV-ZIVKBKJYSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)CCOC1 ZINC001575582671 950124676 /nfs/dbraw/zinc/12/46/76/950124676.db2.gz LZJSZWSXZPNZBV-ZIVKBKJYSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575896290 950126112 /nfs/dbraw/zinc/12/61/12/950126112.db2.gz LWKVKIVKXOZPLV-CABZTGNLSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575896290 950126120 /nfs/dbraw/zinc/12/61/20/950126120.db2.gz LWKVKIVKXOZPLV-CABZTGNLSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncnc2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575896287 950128641 /nfs/dbraw/zinc/12/86/41/950128641.db2.gz LSTRUSDQWHFIAB-YGRLFVJLSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncnc2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575896287 950128652 /nfs/dbraw/zinc/12/86/52/950128652.db2.gz LSTRUSDQWHFIAB-YGRLFVJLSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576184417 950128600 /nfs/dbraw/zinc/12/86/00/950128600.db2.gz VOAHHLKTEOIOSV-RYUDHWBXSA-N -1 3 387.448 0.217 20 0 GCADHM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576184417 950128618 /nfs/dbraw/zinc/12/86/18/950128618.db2.gz VOAHHLKTEOIOSV-RYUDHWBXSA-N -1 3 387.448 0.217 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896712 950130948 /nfs/dbraw/zinc/13/09/48/950130948.db2.gz MTAFMWIZZCAYER-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896712 950130956 /nfs/dbraw/zinc/13/09/56/950130956.db2.gz MTAFMWIZZCAYER-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cncnc1C1CC1 ZINC001574977909 950131200 /nfs/dbraw/zinc/13/12/00/950131200.db2.gz OYMSXAHJZFACQQ-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cncnc1C1CC1 ZINC001574977909 950131219 /nfs/dbraw/zinc/13/12/19/950131219.db2.gz OYMSXAHJZFACQQ-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575582887 950132353 /nfs/dbraw/zinc/13/23/53/950132353.db2.gz ILRXWGMLZHARGE-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575582887 950132368 /nfs/dbraw/zinc/13/23/68/950132368.db2.gz ILRXWGMLZHARGE-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1ccsc1 ZINC001574978331 950132973 /nfs/dbraw/zinc/13/29/73/950132973.db2.gz RIJFDVDYUJISMG-VIFPVBQESA-N -1 3 375.414 0.570 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1ccsc1 ZINC001574978331 950132988 /nfs/dbraw/zinc/13/29/88/950132988.db2.gz RIJFDVDYUJISMG-VIFPVBQESA-N -1 3 375.414 0.570 20 0 GCADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(c3ncccc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575582919 950133387 /nfs/dbraw/zinc/13/33/87/950133387.db2.gz MSJVOZBZPCMJKH-QZTJIDSGSA-N -1 3 387.444 0.136 20 0 GCADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(c3ncccc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575582919 950133403 /nfs/dbraw/zinc/13/34/03/950133403.db2.gz MSJVOZBZPCMJKH-QZTJIDSGSA-N -1 3 387.444 0.136 20 0 GCADHM C[C@]1(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCCOC1 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/nfs/dbraw/zinc/13/76/83/950137683.db2.gz UQNANVFYCXUWPQ-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM CC(C)(C)CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573842327 950137864 /nfs/dbraw/zinc/13/78/64/950137864.db2.gz BCBDYIRWVQYUOI-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573842327 950137889 /nfs/dbraw/zinc/13/78/89/950137889.db2.gz BCBDYIRWVQYUOI-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184867 950140438 /nfs/dbraw/zinc/14/04/38/950140438.db2.gz XIYXZBZAFNSLHR-NEPJUHHUSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184867 950140449 /nfs/dbraw/zinc/14/04/49/950140449.db2.gz XIYXZBZAFNSLHR-NEPJUHHUSA-N -1 3 382.432 0.519 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574153282 950140468 /nfs/dbraw/zinc/14/04/68/950140468.db2.gz 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GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574494127 950149137 /nfs/dbraw/zinc/14/91/37/950149137.db2.gz WYQSNJOBONRCEI-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574494127 950149149 /nfs/dbraw/zinc/14/91/49/950149149.db2.gz WYQSNJOBONRCEI-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574494126 950150150 /nfs/dbraw/zinc/15/01/50/950150150.db2.gz WWWWJYHBNBRZMF-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574494126 950150170 /nfs/dbraw/zinc/15/01/70/950150170.db2.gz WWWWJYHBNBRZMF-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574979316 950150888 /nfs/dbraw/zinc/15/08/88/950150888.db2.gz XUPYTEMOOPHFBU-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574979316 950150904 /nfs/dbraw/zinc/15/09/04/950150904.db2.gz XUPYTEMOOPHFBU-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575898165 950150914 /nfs/dbraw/zinc/15/09/14/950150914.db2.gz QTSUDUCJBNFTBX-PWSUYJOCSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnccn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575898533 950155756 /nfs/dbraw/zinc/15/57/56/950155756.db2.gz SVGYIAZYJZZVQA-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnccn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575898533 950155776 /nfs/dbraw/zinc/15/57/76/950155776.db2.gz SVGYIAZYJZZVQA-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576185057 950156229 /nfs/dbraw/zinc/15/62/29/950156229.db2.gz ZELHTHFJZYOWQE-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576185057 950156238 /nfs/dbraw/zinc/15/62/38/950156238.db2.gz ZELHTHFJZYOWQE-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574494204 950157807 /nfs/dbraw/zinc/15/78/07/950157807.db2.gz XVDMAVDZVTZPHI-ZYHUDNBSSA-N -1 3 390.423 0.143 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574153932 950158554 /nfs/dbraw/zinc/15/85/54/950158554.db2.gz YBCDBCKFSVMWFU-UONOGXRCSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574153932 950158574 /nfs/dbraw/zinc/15/85/74/950158574.db2.gz YBCDBCKFSVMWFU-UONOGXRCSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576185147 950159095 /nfs/dbraw/zinc/15/90/95/950159095.db2.gz ZRUBLCUCCSRKKD-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM 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C[C@H]1[C@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899801 950178579 /nfs/dbraw/zinc/17/85/79/950178579.db2.gz ZPPWHZHQQWNCNP-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575584959 950181093 /nfs/dbraw/zinc/18/10/93/950181093.db2.gz ULOYVLJOJKDHPT-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575584959 950181101 /nfs/dbraw/zinc/18/11/01/950181101.db2.gz ULOYVLJOJKDHPT-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575899821 950181654 /nfs/dbraw/zinc/18/16/54/950181654.db2.gz ZTWZDJLCHDUSJO-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575899821 950181668 /nfs/dbraw/zinc/18/16/68/950181668.db2.gz ZTWZDJLCHDUSJO-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575899823 950182480 /nfs/dbraw/zinc/18/24/80/950182480.db2.gz ZTWZDJLCHDUSJO-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575899823 950182493 /nfs/dbraw/zinc/18/24/93/950182493.db2.gz ZTWZDJLCHDUSJO-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)Cn1cnnn1 ZINC001574155256 950189466 /nfs/dbraw/zinc/18/94/66/950189466.db2.gz KQJCOPOVAUDDIT-LLVKDONJSA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)Cn1cnnn1 ZINC001574155256 950189480 /nfs/dbraw/zinc/18/94/80/950189480.db2.gz KQJCOPOVAUDDIT-LLVKDONJSA-N -1 3 388.411 0.635 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)C1=COCCC1)C1CC1 ZINC001574982878 950189620 /nfs/dbraw/zinc/18/96/20/950189620.db2.gz HPAYSIPURKIJEV-SFHVURJKSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)C1=COCCC1)C1CC1 ZINC001574982878 950189629 /nfs/dbraw/zinc/18/96/29/950189629.db2.gz HPAYSIPURKIJEV-SFHVURJKSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1ccnc1 ZINC001574494914 950192320 /nfs/dbraw/zinc/19/23/20/950192320.db2.gz PZOVVBRPQHNJFH-YPMHNXCESA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1ccnc1 ZINC001574494914 950192334 /nfs/dbraw/zinc/19/23/34/950192334.db2.gz PZOVVBRPQHNJFH-YPMHNXCESA-N -1 3 385.407 0.944 20 0 GCADHM CC(C)C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCCN1C ZINC001574155459 950194235 /nfs/dbraw/zinc/19/42/35/950194235.db2.gz LPACYMPOLLNASR-KGLIPLIRSA-N -1 3 387.492 0.506 20 0 GCADHM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCCN1C ZINC001574155459 950194249 /nfs/dbraw/zinc/19/42/49/950194249.db2.gz LPACYMPOLLNASR-KGLIPLIRSA-N -1 3 387.492 0.506 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574494957 950194519 /nfs/dbraw/zinc/19/45/19/950194519.db2.gz QPFAKLRJJXXMFL-AAEUAGOBSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574494957 950194528 /nfs/dbraw/zinc/19/45/28/950194528.db2.gz QPFAKLRJJXXMFL-AAEUAGOBSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cccnn1)C1CC1 ZINC001574983120 950200994 /nfs/dbraw/zinc/20/09/94/950200994.db2.gz KFSASFSXRMKTQM-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cccnn1)C1CC1 ZINC001574983120 950201018 /nfs/dbraw/zinc/20/10/18/950201018.db2.gz KFSASFSXRMKTQM-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1csnn1)C1CC1 ZINC001574983142 950201134 /nfs/dbraw/zinc/20/11/34/950201134.db2.gz KLKKGQSITYNFMS-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1csnn1)C1CC1 ZINC001574983142 950201151 /nfs/dbraw/zinc/20/11/51/950201151.db2.gz KLKKGQSITYNFMS-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900523 950202204 /nfs/dbraw/zinc/20/22/04/950202204.db2.gz GSPVQVOMQAQOTC-CABZTGNLSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900523 950202222 /nfs/dbraw/zinc/20/22/22/950202222.db2.gz GSPVQVOMQAQOTC-CABZTGNLSA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573844604 950202987 /nfs/dbraw/zinc/20/29/87/950202987.db2.gz KOCWRIPQCOFTRS-UHFFFAOYSA-N -1 3 388.476 0.409 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573844604 950203002 /nfs/dbraw/zinc/20/30/02/950203002.db2.gz KOCWRIPQCOFTRS-UHFFFAOYSA-N -1 3 388.476 0.409 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001574983155 950205760 /nfs/dbraw/zinc/20/57/60/950205760.db2.gz LDOUFNMJBNNZBO-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001574983155 950205776 /nfs/dbraw/zinc/20/57/76/950205776.db2.gz LDOUFNMJBNNZBO-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)c1ccncc1 ZINC001574496059 950206607 /nfs/dbraw/zinc/20/66/07/950206607.db2.gz UYTHZHZHUGRNDQ-IUODEOHRSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)c1ccncc1 ZINC001574496059 950206621 /nfs/dbraw/zinc/20/66/21/950206621.db2.gz UYTHZHZHUGRNDQ-IUODEOHRSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574739720 950206855 /nfs/dbraw/zinc/20/68/55/950206855.db2.gz WMXNYBVJQBWZQV-MRVPVSSYSA-N -1 3 389.807 0.571 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574739720 950206883 /nfs/dbraw/zinc/20/68/83/950206883.db2.gz WMXNYBVJQBWZQV-MRVPVSSYSA-N -1 3 389.807 0.571 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H](C)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574739686 950208213 /nfs/dbraw/zinc/20/82/13/950208213.db2.gz VVLXSTGMVZUBJK-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574739686 950208236 /nfs/dbraw/zinc/20/82/36/950208236.db2.gz VVLXSTGMVZUBJK-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574496112 950210289 /nfs/dbraw/zinc/21/02/89/950210289.db2.gz VWMSIRKMZCJTAA-CMPLNLGQSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574496112 950210307 /nfs/dbraw/zinc/21/03/07/950210307.db2.gz VWMSIRKMZCJTAA-CMPLNLGQSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574496079 950212237 /nfs/dbraw/zinc/21/22/37/950212237.db2.gz VDJOCLQVFWVGBP-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574496079 950212255 /nfs/dbraw/zinc/21/22/55/950212255.db2.gz VDJOCLQVFWVGBP-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576191816 950213849 /nfs/dbraw/zinc/21/38/49/950213849.db2.gz INNCDWFOWIONGD-KOLCDFICSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576191816 950213865 /nfs/dbraw/zinc/21/38/65/950213865.db2.gz INNCDWFOWIONGD-KOLCDFICSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575901025 950214096 /nfs/dbraw/zinc/21/40/96/950214096.db2.gz JZYACJWUEZPOBM-ZYHUDNBSSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575901025 950214116 /nfs/dbraw/zinc/21/41/16/950214116.db2.gz JZYACJWUEZPOBM-ZYHUDNBSSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576191876 950215720 /nfs/dbraw/zinc/21/57/20/950215720.db2.gz INNCDWFOWIONGD-ONGXEEELSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576191876 950215734 /nfs/dbraw/zinc/21/57/34/950215734.db2.gz INNCDWFOWIONGD-ONGXEEELSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575901024 950216877 /nfs/dbraw/zinc/21/68/77/950216877.db2.gz JZYACJWUEZPOBM-PWSUYJOCSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575901024 950216898 /nfs/dbraw/zinc/21/68/98/950216898.db2.gz JZYACJWUEZPOBM-PWSUYJOCSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575586749 950222349 /nfs/dbraw/zinc/22/23/49/950222349.db2.gz JKQLAOIWHYVYEE-SCLBCKFNSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575586749 950222363 /nfs/dbraw/zinc/22/23/63/950222363.db2.gz JKQLAOIWHYVYEE-SCLBCKFNSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNC(=O)c1cocn1 ZINC001576192055 950222998 /nfs/dbraw/zinc/22/29/98/950222998.db2.gz LHLWABNMXUWBSH-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNC(=O)c1cocn1 ZINC001576192055 950223018 /nfs/dbraw/zinc/22/30/18/950223018.db2.gz LHLWABNMXUWBSH-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001574497044 950223429 /nfs/dbraw/zinc/22/34/29/950223429.db2.gz YNSRHYJWQZCDGO-BXUZGUMPSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001574497044 950223449 /nfs/dbraw/zinc/22/34/49/950223449.db2.gz YNSRHYJWQZCDGO-BXUZGUMPSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)CCS1(=O)=O ZINC001576192077 950225013 /nfs/dbraw/zinc/22/50/13/950225013.db2.gz LKPHMQWESFADAG-JTQLQIEISA-N -1 3 382.421 0.724 20 0 GCADHM C[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)CCS1(=O)=O ZINC001576192077 950225035 /nfs/dbraw/zinc/22/50/35/950225035.db2.gz LKPHMQWESFADAG-JTQLQIEISA-N -1 3 382.421 0.724 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1ccnc1 ZINC001574156174 950225911 /nfs/dbraw/zinc/22/59/11/950225911.db2.gz YFHIHDWMLIPTQD-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1ccnc1 ZINC001574156174 950225929 /nfs/dbraw/zinc/22/59/29/950225929.db2.gz YFHIHDWMLIPTQD-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001574497101 950228865 /nfs/dbraw/zinc/22/88/65/950228865.db2.gz YYDCQGZQAGZAPV-AAEUAGOBSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001574497101 950228882 /nfs/dbraw/zinc/22/88/82/950228882.db2.gz YYDCQGZQAGZAPV-AAEUAGOBSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575586873 950229680 /nfs/dbraw/zinc/22/96/80/950229680.db2.gz KZPYBXNUQQIFJP-XIKOKIGWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575586873 950229700 /nfs/dbraw/zinc/22/97/00/950229700.db2.gz KZPYBXNUQQIFJP-XIKOKIGWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccccn1 ZINC001574740753 950230761 /nfs/dbraw/zinc/23/07/61/950230761.db2.gz FYHWUEFZHXAHJX-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccccn1 ZINC001574740753 950230775 /nfs/dbraw/zinc/23/07/75/950230775.db2.gz FYHWUEFZHXAHJX-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2F)CCOC1 ZINC001575587655 950232396 /nfs/dbraw/zinc/23/23/96/950232396.db2.gz NKVAEAZRNSQNKA-YVEFUNNKSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001575587655 950232410 /nfs/dbraw/zinc/23/24/10/950232410.db2.gz NKVAEAZRNSQNKA-YVEFUNNKSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@H](CC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccncc1 ZINC001574497348 950233124 /nfs/dbraw/zinc/23/31/24/950233124.db2.gz ZNJIZPWGRMSAKG-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](CC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccncc1 ZINC001574497348 950233144 /nfs/dbraw/zinc/23/31/44/950233144.db2.gz ZNJIZPWGRMSAKG-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574741187 950234258 /nfs/dbraw/zinc/23/42/58/950234258.db2.gz HQQVVHZDRIUSGZ-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001574983700 950234244 /nfs/dbraw/zinc/23/42/44/950234244.db2.gz RRRUIFFMLWHVQZ-VOJFVSQTSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001574983700 950234260 /nfs/dbraw/zinc/23/42/60/950234260.db2.gz RRRUIFFMLWHVQZ-VOJFVSQTSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573845584 950236687 /nfs/dbraw/zinc/23/66/87/950236687.db2.gz HUNSXXHDBZNNDG-GOSISDBHSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573845584 950236709 /nfs/dbraw/zinc/23/67/09/950236709.db2.gz HUNSXXHDBZNNDG-GOSISDBHSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574741413 950245066 /nfs/dbraw/zinc/24/50/66/950245066.db2.gz BBZKKVQJCZGNTJ-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574741413 950245086 /nfs/dbraw/zinc/24/50/86/950245086.db2.gz BBZKKVQJCZGNTJ-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574741412 950245349 /nfs/dbraw/zinc/24/53/49/950245349.db2.gz BBZKKVQJCZGNTJ-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574741412 950245366 /nfs/dbraw/zinc/24/53/66/950245366.db2.gz BBZKKVQJCZGNTJ-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1(F)CCOCC1 ZINC001574741567 950250007 /nfs/dbraw/zinc/25/00/07/950250007.db2.gz JHHNFPLIVHATFB-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1(F)CCOCC1 ZINC001574741567 950250025 /nfs/dbraw/zinc/25/00/25/950250025.db2.gz JHHNFPLIVHATFB-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CCC1)NC(N)=O ZINC001574498051 950254986 /nfs/dbraw/zinc/25/49/86/950254986.db2.gz JBOXPOTTXDJSBV-JTQLQIEISA-N -1 3 390.423 0.904 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CCC1)NC(N)=O ZINC001574498051 950255004 /nfs/dbraw/zinc/25/50/04/950255004.db2.gz JBOXPOTTXDJSBV-JTQLQIEISA-N -1 3 390.423 0.904 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575588821 950256301 /nfs/dbraw/zinc/25/63/01/950256301.db2.gz ULODDHJMLBCSMH-APPDUMDISA-N -1 3 375.408 0.770 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575588821 950256311 /nfs/dbraw/zinc/25/63/11/950256311.db2.gz ULODDHJMLBCSMH-APPDUMDISA-N -1 3 375.408 0.770 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)CCC(=O)NC1 ZINC001575589166 950256361 /nfs/dbraw/zinc/25/63/61/950256361.db2.gz VCOHEPZQMAFSND-GTNSWQLSSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)CCC(=O)NC1 ZINC001575589166 950256374 /nfs/dbraw/zinc/25/63/74/950256374.db2.gz VCOHEPZQMAFSND-GTNSWQLSSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574741841 950257650 /nfs/dbraw/zinc/25/76/50/950257650.db2.gz DXMMIMKFHHKKRC-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574741841 950257670 /nfs/dbraw/zinc/25/76/70/950257670.db2.gz DXMMIMKFHHKKRC-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H](C)n1cccn1 ZINC001574741819 950259984 /nfs/dbraw/zinc/25/99/84/950259984.db2.gz DNWDJQQNNZUJFZ-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H](C)n1cccn1 ZINC001574741819 950260001 /nfs/dbraw/zinc/26/00/01/950260001.db2.gz DNWDJQQNNZUJFZ-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1cccnc1 ZINC001574741988 950261022 /nfs/dbraw/zinc/26/10/22/950261022.db2.gz FJSKBKGEDPGBJH-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1cccnc1 ZINC001574741988 950261039 /nfs/dbraw/zinc/26/10/39/950261039.db2.gz FJSKBKGEDPGBJH-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCCC1)NC(N)=O ZINC001574498179 950264617 /nfs/dbraw/zinc/26/46/17/950264617.db2.gz KUTQBADVTGBRKC-LLVKDONJSA-N -1 3 387.448 0.550 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCCC1)NC(N)=O ZINC001574498179 950264639 /nfs/dbraw/zinc/26/46/39/950264639.db2.gz KUTQBADVTGBRKC-LLVKDONJSA-N -1 3 387.448 0.550 20 0 GCADHM CC(C)(C)OC(=O)[C@@]1(NC[C@@H](O)c2cccc(-c3nnn[n-]3)c2)CCOC1 ZINC001573849851 950265323 /nfs/dbraw/zinc/26/53/23/950265323.db2.gz CXQNIKODUIZJHP-RDTXWAMCSA-N -1 3 375.429 0.991 20 0 GCADHM CC(C)(C)OC(=O)[C@@]1(NC[C@@H](O)c2cccc(-c3nn[n-]n3)c2)CCOC1 ZINC001573849851 950265344 /nfs/dbraw/zinc/26/53/44/950265344.db2.gz CXQNIKODUIZJHP-RDTXWAMCSA-N -1 3 375.429 0.991 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001574498199 950266920 /nfs/dbraw/zinc/26/69/20/950266920.db2.gz LDYNDCGHFMTWGK-CMPLNLGQSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001574498199 950266937 /nfs/dbraw/zinc/26/69/37/950266937.db2.gz LDYNDCGHFMTWGK-CMPLNLGQSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574984425 950269479 /nfs/dbraw/zinc/26/94/79/950269479.db2.gz ZMBYGQPJLMVFSO-YVLXSGLVSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574984425 950269498 /nfs/dbraw/zinc/26/94/98/950269498.db2.gz ZMBYGQPJLMVFSO-YVLXSGLVSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001574984413 950270791 /nfs/dbraw/zinc/27/07/91/950270791.db2.gz ZHJJLYAGZRSIRR-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001574984413 950270814 /nfs/dbraw/zinc/27/08/14/950270814.db2.gz ZHJJLYAGZRSIRR-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574742183 950274614 /nfs/dbraw/zinc/27/46/14/950274614.db2.gz HRDCUMQBHMGOOL-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574742183 950274631 /nfs/dbraw/zinc/27/46/31/950274631.db2.gz HRDCUMQBHMGOOL-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573850415 950275550 /nfs/dbraw/zinc/27/55/50/950275550.db2.gz JQQZQUPWOSQOIZ-GFCCVEGCSA-N -1 3 389.464 0.097 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573850415 950275570 /nfs/dbraw/zinc/27/55/70/950275570.db2.gz JQQZQUPWOSQOIZ-GFCCVEGCSA-N -1 3 389.464 0.097 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1ccncn1 ZINC001574742259 950278116 /nfs/dbraw/zinc/27/81/16/950278116.db2.gz JNCGFIOXCMETPA-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1ccncn1 ZINC001574742259 950278132 /nfs/dbraw/zinc/27/81/32/950278132.db2.gz JNCGFIOXCMETPA-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1COCCN1C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001573850893 950279104 /nfs/dbraw/zinc/27/91/04/950279104.db2.gz NYGWRVHIPSYFHW-HUUCEWRRSA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1COCCN1C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001573850893 950279121 /nfs/dbraw/zinc/27/91/21/950279121.db2.gz NYGWRVHIPSYFHW-HUUCEWRRSA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@H]1CCNC1=O ZINC001574158511 950280751 /nfs/dbraw/zinc/28/07/51/950280751.db2.gz BVZDBSSLMADJDF-CHWSQXEVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@H]1CCNC1=O ZINC001574158511 950280768 /nfs/dbraw/zinc/28/07/68/950280768.db2.gz BVZDBSSLMADJDF-CHWSQXEVSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@]1(C(=O)NCCN(c2ccc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575592219 950281997 /nfs/dbraw/zinc/28/19/97/950281997.db2.gz DGYAGRSFENVYGH-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NCCN(c2ccc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575592219 950282018 /nfs/dbraw/zinc/28/20/18/950282018.db2.gz DGYAGRSFENVYGH-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM CC1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC001575592257 950282965 /nfs/dbraw/zinc/28/29/65/950282965.db2.gz FOVPWSPIEIGTII-UHFFFAOYSA-N -1 3 389.460 0.716 20 0 GCADHM CC1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC001575592257 950282978 /nfs/dbraw/zinc/28/29/78/950282978.db2.gz FOVPWSPIEIGTII-UHFFFAOYSA-N -1 3 389.460 0.716 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1CCC(O)CC1 ZINC001574742345 950283070 /nfs/dbraw/zinc/28/30/70/950283070.db2.gz KAEABYRXYVKAPD-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1CCC(O)CC1 ZINC001574742345 950283083 /nfs/dbraw/zinc/28/30/83/950283083.db2.gz KAEABYRXYVKAPD-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575903426 950283951 /nfs/dbraw/zinc/28/39/51/950283951.db2.gz ZYGNSUMIZCEWPD-MWLCHTKSSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575903426 950283963 /nfs/dbraw/zinc/28/39/63/950283963.db2.gz ZYGNSUMIZCEWPD-MWLCHTKSSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1ncoc1C1CC1 ZINC001574987229 950284243 /nfs/dbraw/zinc/28/42/43/950284243.db2.gz ATYPSOVZBNQINC-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1ncoc1C1CC1 ZINC001574987229 950284262 /nfs/dbraw/zinc/28/42/62/950284262.db2.gz ATYPSOVZBNQINC-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1ncoc1C1CC1 ZINC001574987230 950285836 /nfs/dbraw/zinc/28/58/36/950285836.db2.gz ATYPSOVZBNQINC-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1ncoc1C1CC1 ZINC001574987230 950285851 /nfs/dbraw/zinc/28/58/51/950285851.db2.gz ATYPSOVZBNQINC-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001574498670 950285945 /nfs/dbraw/zinc/28/59/45/950285945.db2.gz PFORLLCZLKPRIZ-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001574498670 950285955 /nfs/dbraw/zinc/28/59/55/950285955.db2.gz PFORLLCZLKPRIZ-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(Cc3ccccc3-c3nnn[n-]3)CCO2)CCOC1 ZINC001575592471 950287510 /nfs/dbraw/zinc/28/75/10/950287510.db2.gz ATTQPEMOIOTTQV-KXBFYZLASA-N -1 3 386.456 0.610 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(Cc3ccccc3-c3nn[n-]n3)CCO2)CCOC1 ZINC001575592471 950287518 /nfs/dbraw/zinc/28/75/18/950287518.db2.gz ATTQPEMOIOTTQV-KXBFYZLASA-N -1 3 386.456 0.610 20 0 GCADHM CC(C)N(C(=O)CN(C)[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001574987235 950287964 /nfs/dbraw/zinc/28/79/64/950287964.db2.gz AVGLACQWMMIPEY-CYBMUJFWSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)N(C(=O)CN(C)[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001574987235 950287981 /nfs/dbraw/zinc/28/79/81/950287981.db2.gz AVGLACQWMMIPEY-CYBMUJFWSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573851220 950289217 /nfs/dbraw/zinc/28/92/17/950289217.db2.gz VBKSZAMXHXUFNF-LBPRGKRZSA-N -1 3 389.416 0.243 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573851220 950289230 /nfs/dbraw/zinc/28/92/30/950289230.db2.gz VBKSZAMXHXUFNF-LBPRGKRZSA-N -1 3 389.416 0.243 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574498920 950289792 /nfs/dbraw/zinc/28/97/92/950289792.db2.gz RMPBMPCDRKEYRH-SMDDNHRTSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574498920 950289811 /nfs/dbraw/zinc/28/98/11/950289811.db2.gz RMPBMPCDRKEYRH-SMDDNHRTSA-N -1 3 385.432 0.078 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573851219 950290422 /nfs/dbraw/zinc/29/04/22/950290422.db2.gz VBKSZAMXHXUFNF-GFCCVEGCSA-N -1 3 389.416 0.243 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573851219 950290434 /nfs/dbraw/zinc/29/04/34/950290434.db2.gz VBKSZAMXHXUFNF-GFCCVEGCSA-N -1 3 389.416 0.243 20 0 GCADHM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001573851408 950291332 /nfs/dbraw/zinc/29/13/32/950291332.db2.gz XREPFYGRMRQGEM-YVEFUNNKSA-N -1 3 377.401 0.109 20 0 GCADHM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001573851408 950291359 /nfs/dbraw/zinc/29/13/59/950291359.db2.gz XREPFYGRMRQGEM-YVEFUNNKSA-N -1 3 377.401 0.109 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)CCOCC1 ZINC001575592572 950291558 /nfs/dbraw/zinc/29/15/58/950291558.db2.gz CBYXSTZGAXFONX-AWEZNQCLSA-N -1 3 387.444 0.400 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)CCOCC1 ZINC001575592572 950291581 /nfs/dbraw/zinc/29/15/81/950291581.db2.gz CBYXSTZGAXFONX-AWEZNQCLSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574742524 950291393 /nfs/dbraw/zinc/29/13/93/950291393.db2.gz MVIMMAHWMYPYAZ-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574742524 950291418 /nfs/dbraw/zinc/29/14/18/950291418.db2.gz MVIMMAHWMYPYAZ-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001575592962 950303022 /nfs/dbraw/zinc/30/30/22/950303022.db2.gz DJAVRNBWDZRIFJ-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001575592962 950303040 /nfs/dbraw/zinc/30/30/40/950303040.db2.gz DJAVRNBWDZRIFJ-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576193614 950305317 /nfs/dbraw/zinc/30/53/17/950305317.db2.gz UVPZZDMBQVSRTL-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576193614 950305347 /nfs/dbraw/zinc/30/53/47/950305347.db2.gz UVPZZDMBQVSRTL-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1)c1ccncc1 ZINC001574499476 950305977 /nfs/dbraw/zinc/30/59/77/950305977.db2.gz WGIHHFOXIAQPGF-TZMCWYRMSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)c1ccncc1 ZINC001574499476 950305998 /nfs/dbraw/zinc/30/59/98/950305998.db2.gz WGIHHFOXIAQPGF-TZMCWYRMSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCCC[C@@H]1C ZINC001574987990 950306170 /nfs/dbraw/zinc/30/61/70/950306170.db2.gz KCTUTOQETXCOPV-QWHCGFSZSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)N1CCCC[C@@H]1C ZINC001574987990 950306192 /nfs/dbraw/zinc/30/61/92/950306192.db2.gz KCTUTOQETXCOPV-QWHCGFSZSA-N -1 3 388.476 0.646 20 0 GCADHM CC1(C(=O)NCCN2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)CC1 ZINC001575593218 950306757 /nfs/dbraw/zinc/30/67/57/950306757.db2.gz MWJYFXRCRCACKY-UHFFFAOYSA-N -1 3 375.502 0.962 20 0 GCADHM CC1(C(=O)NCCN2CCN(Cc3ccc(-c4nn[n-]n4)s3)CC2)CC1 ZINC001575593218 950306780 /nfs/dbraw/zinc/30/67/80/950306780.db2.gz MWJYFXRCRCACKY-UHFFFAOYSA-N -1 3 375.502 0.962 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCCC[C@H]1C ZINC001574987986 950308011 /nfs/dbraw/zinc/30/80/11/950308011.db2.gz KCTUTOQETXCOPV-CHWSQXEVSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)N1CCCC[C@H]1C ZINC001574987986 950308032 /nfs/dbraw/zinc/30/80/32/950308032.db2.gz KCTUTOQETXCOPV-CHWSQXEVSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574742817 950308863 /nfs/dbraw/zinc/30/88/63/950308863.db2.gz QZOWKNYGMKPCRX-ABKXIKBNSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574742817 950308884 /nfs/dbraw/zinc/30/88/84/950308884.db2.gz QZOWKNYGMKPCRX-ABKXIKBNSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccn(C)n1 ZINC001574743152 950315830 /nfs/dbraw/zinc/31/58/30/950315830.db2.gz SKBRKJUSWDWBES-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccn(C)n1 ZINC001574743152 950315854 /nfs/dbraw/zinc/31/58/54/950315854.db2.gz SKBRKJUSWDWBES-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)CCOC1 ZINC001575594032 950328327 /nfs/dbraw/zinc/32/83/27/950328327.db2.gz JCWIXDHLQWWPIV-LPHOPBHVSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)CCOC1 ZINC001575594032 950328348 /nfs/dbraw/zinc/32/83/48/950328348.db2.gz JCWIXDHLQWWPIV-LPHOPBHVSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574743610 950328686 /nfs/dbraw/zinc/32/86/86/950328686.db2.gz UASALPBWYKUGHN-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574743610 950328708 /nfs/dbraw/zinc/32/87/08/950328708.db2.gz UASALPBWYKUGHN-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574501464 950331891 /nfs/dbraw/zinc/33/18/91/950331891.db2.gz DPKWMLQOLNSFML-ZWNOBZJWSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574501464 950331912 /nfs/dbraw/zinc/33/19/12/950331912.db2.gz DPKWMLQOLNSFML-ZWNOBZJWSA-N -1 3 390.423 0.143 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1COCCO1 ZINC001574160199 950331893 /nfs/dbraw/zinc/33/18/93/950331893.db2.gz MGTQAGYNOMTIES-TZMCWYRMSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1COCCO1 ZINC001574160199 950331918 /nfs/dbraw/zinc/33/19/18/950331918.db2.gz MGTQAGYNOMTIES-TZMCWYRMSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574743722 950334933 /nfs/dbraw/zinc/33/49/33/950334933.db2.gz VMKXPGJGGGBKPK-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574743722 950334953 /nfs/dbraw/zinc/33/49/53/950334953.db2.gz VMKXPGJGGGBKPK-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576194302 950339701 /nfs/dbraw/zinc/33/97/01/950339701.db2.gz YUMNHSSJCKKYGA-YPMHNXCESA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576194302 950339721 /nfs/dbraw/zinc/33/97/21/950339721.db2.gz YUMNHSSJCKKYGA-YPMHNXCESA-N -1 3 382.432 0.601 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573854263 950340057 /nfs/dbraw/zinc/34/00/57/950340057.db2.gz YIUKZTTYQDPINR-INIZCTEOSA-N -1 3 377.405 0.297 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573854263 950340079 /nfs/dbraw/zinc/34/00/79/950340079.db2.gz YIUKZTTYQDPINR-INIZCTEOSA-N -1 3 377.405 0.297 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574501677 950340361 /nfs/dbraw/zinc/34/03/61/950340361.db2.gz GFVRLUZOYLSBBQ-GFCCVEGCSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574501677 950340384 /nfs/dbraw/zinc/34/03/84/950340384.db2.gz GFVRLUZOYLSBBQ-GFCCVEGCSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccncc1 ZINC001574743768 950341041 /nfs/dbraw/zinc/34/10/41/950341041.db2.gz WBJCBCPTPKDKJX-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccncc1 ZINC001574743768 950341056 /nfs/dbraw/zinc/34/10/56/950341056.db2.gz WBJCBCPTPKDKJX-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194449 950342576 /nfs/dbraw/zinc/34/25/76/950342576.db2.gz ZZPJVSVLYMVQMT-STQMWFEESA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNC(=O)c1cocn1 ZINC001576194424 950343964 /nfs/dbraw/zinc/34/39/64/950343964.db2.gz ZUMRCYZMIPCWGU-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNC(=O)c1cocn1 ZINC001576194424 950343978 /nfs/dbraw/zinc/34/39/78/950343978.db2.gz ZUMRCYZMIPCWGU-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574501932 950344421 /nfs/dbraw/zinc/34/44/21/950344421.db2.gz HVPRNXLMBPZZGJ-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574501932 950344439 /nfs/dbraw/zinc/34/44/39/950344439.db2.gz HVPRNXLMBPZZGJ-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576194363 950344826 /nfs/dbraw/zinc/34/48/26/950344826.db2.gz ZMEMOPKEAYKFRZ-JSGCOSHPSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576194363 950344841 /nfs/dbraw/zinc/34/48/41/950344841.db2.gz ZMEMOPKEAYKFRZ-JSGCOSHPSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574988754 950346141 /nfs/dbraw/zinc/34/61/41/950346141.db2.gz UOQQGQQTYMJSJU-WCQYABFASA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574988754 950346161 /nfs/dbraw/zinc/34/61/61/950346161.db2.gz UOQQGQQTYMJSJU-WCQYABFASA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001574988676 950346197 /nfs/dbraw/zinc/34/61/97/950346197.db2.gz UFWJVJREJMGVSB-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001574988676 950346216 /nfs/dbraw/zinc/34/62/16/950346216.db2.gz UFWJVJREJMGVSB-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cnoc1C1CC1 ZINC001574988885 950348613 /nfs/dbraw/zinc/34/86/13/950348613.db2.gz WNRTYNREUOWDKZ-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cnoc1C1CC1 ZINC001574988885 950348634 /nfs/dbraw/zinc/34/86/34/950348634.db2.gz WNRTYNREUOWDKZ-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574502035 950351790 /nfs/dbraw/zinc/35/17/90/950351790.db2.gz IDPFVMSAPIDBOZ-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574502035 950351809 /nfs/dbraw/zinc/35/18/09/950351809.db2.gz IDPFVMSAPIDBOZ-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1ccccn1 ZINC001574989011 950355921 /nfs/dbraw/zinc/35/59/21/950355921.db2.gz XDZPCWNDWCSQCN-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1ccccn1 ZINC001574989011 950355941 /nfs/dbraw/zinc/35/59/41/950355941.db2.gz XDZPCWNDWCSQCN-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1c[nH]nc1C1CC1 ZINC001574988968 950357349 /nfs/dbraw/zinc/35/73/49/950357349.db2.gz WVCFLAHIOIMCEQ-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1c[nH]nc1C1CC1 ZINC001574988968 950357370 /nfs/dbraw/zinc/35/73/70/950357370.db2.gz WVCFLAHIOIMCEQ-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM CC(C)(C)NC(=O)CN1CCCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573855247 950360140 /nfs/dbraw/zinc/36/01/40/950360140.db2.gz MWQKYBRNDPCMNH-CYBMUJFWSA-N -1 3 388.476 0.694 20 0 GCADHM CC(C)(C)NC(=O)CN1CCCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573855247 950360154 /nfs/dbraw/zinc/36/01/54/950360154.db2.gz MWQKYBRNDPCMNH-CYBMUJFWSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)NC(N)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574502174 950361904 /nfs/dbraw/zinc/36/19/04/950361904.db2.gz KCJNUWFMGXPOBA-UWVGGRQHSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)NC(N)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574502174 950361926 /nfs/dbraw/zinc/36/19/26/950361926.db2.gz KCJNUWFMGXPOBA-UWVGGRQHSA-N -1 3 378.412 0.759 20 0 GCADHM CC(C)(C)NC(=O)CNC(=O)COc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001573855221 950362316 /nfs/dbraw/zinc/36/23/16/950362316.db2.gz MCPHVYHODCACAV-UHFFFAOYSA-N -1 3 389.460 0.969 20 0 GCADHM CC(C)(C)NC(=O)CNC(=O)COc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001573855221 950362339 /nfs/dbraw/zinc/36/23/39/950362339.db2.gz MCPHVYHODCACAV-UHFFFAOYSA-N -1 3 389.460 0.969 20 0 GCADHM C[C@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908379 950363189 /nfs/dbraw/zinc/36/31/89/950363189.db2.gz BNLZXJVUKZJPPV-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908379 950363212 /nfs/dbraw/zinc/36/32/12/950363212.db2.gz BNLZXJVUKZJPPV-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001574989435 950363376 /nfs/dbraw/zinc/36/33/76/950363376.db2.gz ZEIXTMWGFBUYEZ-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001574989435 950363402 /nfs/dbraw/zinc/36/34/02/950363402.db2.gz ZEIXTMWGFBUYEZ-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001574989469 950364214 /nfs/dbraw/zinc/36/42/14/950364214.db2.gz ZNFHXVIGGISXIK-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001574989469 950364223 /nfs/dbraw/zinc/36/42/23/950364223.db2.gz ZNFHXVIGGISXIK-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCNC(N)=O ZINC001574161486 950365071 /nfs/dbraw/zinc/36/50/71/950365071.db2.gz VDKJMOKWQFGJFX-LLVKDONJSA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCNC(N)=O ZINC001574161486 950365091 /nfs/dbraw/zinc/36/50/91/950365091.db2.gz VDKJMOKWQFGJFX-LLVKDONJSA-N -1 3 375.437 0.263 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nc(CC2CC2)no1 ZINC001574990336 950365691 /nfs/dbraw/zinc/36/56/91/950365691.db2.gz AFFUEDGSIOWLIT-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nc(CC2CC2)no1 ZINC001574990336 950365715 /nfs/dbraw/zinc/36/57/15/950365715.db2.gz AFFUEDGSIOWLIT-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573855302 950366185 /nfs/dbraw/zinc/36/61/85/950366185.db2.gz PSCPIQHSNJOELM-DYEKYZERSA-N -1 3 386.460 0.445 20 0 GCADHM CC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573855302 950366200 /nfs/dbraw/zinc/36/62/00/950366200.db2.gz PSCPIQHSNJOELM-DYEKYZERSA-N -1 3 386.460 0.445 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574502206 950366893 /nfs/dbraw/zinc/36/68/93/950366893.db2.gz KMIBDUPDERWGJD-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM CC(C)(C)NC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573855315 950367191 /nfs/dbraw/zinc/36/71/91/950367191.db2.gz QAKOTXOHKVSNFI-BXUZGUMPSA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)(C)NC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573855315 950367213 /nfs/dbraw/zinc/36/72/13/950367213.db2.gz QAKOTXOHKVSNFI-BXUZGUMPSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574990393 950370911 /nfs/dbraw/zinc/37/09/11/950370911.db2.gz BFMKLCZACIXMNB-JQWIXIFHSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574990393 950370931 /nfs/dbraw/zinc/37/09/31/950370931.db2.gz BFMKLCZACIXMNB-JQWIXIFHSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574502335 950372699 /nfs/dbraw/zinc/37/26/99/950372699.db2.gz LZNRPKXJSMITKD-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574502335 950372720 /nfs/dbraw/zinc/37/27/20/950372720.db2.gz LZNRPKXJSMITKD-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574745158 950373405 /nfs/dbraw/zinc/37/34/05/950373405.db2.gz FZWPFCQUGHGFKM-ZETCQYMHSA-N -1 3 378.347 0.890 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001573855388 950373940 /nfs/dbraw/zinc/37/39/40/950373940.db2.gz SMSJESGUXVFRFO-GXTWGEPZSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC001575596520 950377145 /nfs/dbraw/zinc/37/71/45/950377145.db2.gz TUBAGBXBWLQNHF-YVEFUNNKSA-N -1 3 392.485 0.672 20 0 GCADHM CC1(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575596382 950378919 /nfs/dbraw/zinc/37/89/19/950378919.db2.gz DNEANFNJPLUGMW-AULYBMBSSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575596382 950378941 /nfs/dbraw/zinc/37/89/41/950378941.db2.gz DNEANFNJPLUGMW-AULYBMBSSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CNC(=O)N1 ZINC001574162149 950379757 /nfs/dbraw/zinc/37/97/57/950379757.db2.gz ZWKJMMWYIZYJJP-ZYHUDNBSSA-N -1 3 391.411 0.025 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CNC(=O)N1 ZINC001574162149 950379782 /nfs/dbraw/zinc/37/97/82/950379782.db2.gz ZWKJMMWYIZYJJP-ZYHUDNBSSA-N -1 3 391.411 0.025 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574745403 950382861 /nfs/dbraw/zinc/38/28/61/950382861.db2.gz JFUNSBBHKSWWGS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574745403 950382878 /nfs/dbraw/zinc/38/28/78/950382878.db2.gz JFUNSBBHKSWWGS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CC(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574502643 950385777 /nfs/dbraw/zinc/38/57/77/950385777.db2.gz OZSAZKNZDFHGNT-LLVKDONJSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574502643 950385796 /nfs/dbraw/zinc/38/57/96/950385796.db2.gz OZSAZKNZDFHGNT-LLVKDONJSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1nnnn1C1CC1 ZINC001574745729 950386521 /nfs/dbraw/zinc/38/65/21/950386521.db2.gz JSXIUMYWWYHSPL-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H](N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1nnnn1C1CC1 ZINC001574745729 950386540 /nfs/dbraw/zinc/38/65/40/950386540.db2.gz JSXIUMYWWYHSPL-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1ncnn1C(C)(C)C ZINC001574991141 950389040 /nfs/dbraw/zinc/38/90/40/950389040.db2.gz HNVLDFRDKFCUSO-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1ncnn1C(C)(C)C ZINC001574991141 950389054 /nfs/dbraw/zinc/38/90/54/950389054.db2.gz HNVLDFRDKFCUSO-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCCCO1 ZINC001574991160 950389656 /nfs/dbraw/zinc/38/96/56/950389656.db2.gz HZEMLMXALZBZCJ-DGCLKSJQSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCCCO1 ZINC001574991160 950389684 /nfs/dbraw/zinc/38/96/84/950389684.db2.gz HZEMLMXALZBZCJ-DGCLKSJQSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575596738 950390209 /nfs/dbraw/zinc/39/02/09/950390209.db2.gz HSXBERBCLUESGT-PZROIBLQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575596738 950390229 /nfs/dbraw/zinc/39/02/29/950390229.db2.gz HSXBERBCLUESGT-PZROIBLQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1cn(C(C)(C)C)nn1 ZINC001574745885 950391369 /nfs/dbraw/zinc/39/13/69/950391369.db2.gz LSVYALAOTSXVFA-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1cn(C(C)(C)C)nn1 ZINC001574745885 950391392 /nfs/dbraw/zinc/39/13/92/950391392.db2.gz LSVYALAOTSXVFA-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CCNC1=O ZINC001575596999 950391671 /nfs/dbraw/zinc/39/16/71/950391671.db2.gz KZVFWLRRRYOUHS-CINOJJQCSA-N -1 3 388.407 0.234 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CCNC1=O ZINC001575596999 950391693 /nfs/dbraw/zinc/39/16/93/950391693.db2.gz KZVFWLRRRYOUHS-CINOJJQCSA-N -1 3 388.407 0.234 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574502712 950392153 /nfs/dbraw/zinc/39/21/53/950392153.db2.gz QQVPIUHEDOLAFM-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574502712 950392171 /nfs/dbraw/zinc/39/21/71/950392171.db2.gz QQVPIUHEDOLAFM-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574502700 950392261 /nfs/dbraw/zinc/39/22/61/950392261.db2.gz QKAZAODNNYAQTD-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574502700 950392277 /nfs/dbraw/zinc/39/22/77/950392277.db2.gz QKAZAODNNYAQTD-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574745869 950392762 /nfs/dbraw/zinc/39/27/62/950392762.db2.gz LHQMGDRNIGIVEE-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574745869 950392784 /nfs/dbraw/zinc/39/27/84/950392784.db2.gz LHQMGDRNIGIVEE-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccncc1 ZINC001574502903 950393006 /nfs/dbraw/zinc/39/30/06/950393006.db2.gz RUZHKRJKAOOIKW-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccncc1 ZINC001574502903 950393028 /nfs/dbraw/zinc/39/30/28/950393028.db2.gz RUZHKRJKAOOIKW-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@H]1[C@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575909224 950393044 /nfs/dbraw/zinc/39/30/44/950393044.db2.gz GEYLDSSJUQCXKT-GXSJLCMTSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@H]1[C@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575909224 950393066 /nfs/dbraw/zinc/39/30/66/950393066.db2.gz GEYLDSSJUQCXKT-GXSJLCMTSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ncccc1-c1nnn[n-]1 ZINC001574746134 950393482 /nfs/dbraw/zinc/39/34/82/950393482.db2.gz LVGXNLJPEJUUNA-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ncccc1-c1nn[n-]n1 ZINC001574746134 950393496 /nfs/dbraw/zinc/39/34/96/950393496.db2.gz LVGXNLJPEJUUNA-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc2n1CCC2 ZINC001574746301 950395056 /nfs/dbraw/zinc/39/50/56/950395056.db2.gz NHIGTEWQKWAAEU-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc2n1CCC2 ZINC001574746301 950395079 /nfs/dbraw/zinc/39/50/79/950395079.db2.gz NHIGTEWQKWAAEU-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503085 950398960 /nfs/dbraw/zinc/39/89/60/950398960.db2.gz SZTNXXOKUGMDIH-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503085 950398975 /nfs/dbraw/zinc/39/89/75/950398975.db2.gz SZTNXXOKUGMDIH-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503083 950399787 /nfs/dbraw/zinc/39/97/87/950399787.db2.gz SZTNXXOKUGMDIH-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503083 950399812 /nfs/dbraw/zinc/39/98/12/950399812.db2.gz SZTNXXOKUGMDIH-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574746804 950401532 /nfs/dbraw/zinc/40/15/32/950401532.db2.gz PKEDRCNVOVKNMK-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574746804 950401539 /nfs/dbraw/zinc/40/15/39/950401539.db2.gz PKEDRCNVOVKNMK-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573857673 950407519 /nfs/dbraw/zinc/40/75/19/950407519.db2.gz WHTXBXRSECTPNU-CHWSQXEVSA-N -1 3 392.391 0.716 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573857673 950407533 /nfs/dbraw/zinc/40/75/33/950407533.db2.gz WHTXBXRSECTPNU-CHWSQXEVSA-N -1 3 392.391 0.716 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574747512 950411267 /nfs/dbraw/zinc/41/12/67/950411267.db2.gz SZDXIDNUJNEJCS-SSDOTTSWSA-N -1 3 378.347 0.890 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnoc1C1CC1 ZINC001574747708 950412585 /nfs/dbraw/zinc/41/25/85/950412585.db2.gz VNYUZESZMOHEET-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnoc1C1CC1 ZINC001574747708 950412600 /nfs/dbraw/zinc/41/26/00/950412600.db2.gz VNYUZESZMOHEET-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccn2)CCO1 ZINC001573860062 950416457 /nfs/dbraw/zinc/41/64/57/950416457.db2.gz CDYSEKCRNYZBIB-CQSZACIVSA-N -1 3 375.433 0.987 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccn2)CCO1 ZINC001573860062 950416467 /nfs/dbraw/zinc/41/64/67/950416467.db2.gz CDYSEKCRNYZBIB-CQSZACIVSA-N -1 3 375.433 0.987 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001573860054 950416854 /nfs/dbraw/zinc/41/68/54/950416854.db2.gz CAEFSTNNYICEQJ-LBPRGKRZSA-N -1 3 388.428 0.985 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001573860054 950416868 /nfs/dbraw/zinc/41/68/68/950416868.db2.gz CAEFSTNNYICEQJ-LBPRGKRZSA-N -1 3 388.428 0.985 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCOC1CCOCC1 ZINC001574991848 950422356 /nfs/dbraw/zinc/42/23/56/950422356.db2.gz SOQBWJMLJATUQQ-LLVKDONJSA-N -1 3 391.432 0.015 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCOC1CCOCC1 ZINC001574991848 950422381 /nfs/dbraw/zinc/42/23/81/950422381.db2.gz SOQBWJMLJATUQQ-LLVKDONJSA-N -1 3 391.432 0.015 20 0 GCADHM CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001573860385 950422819 /nfs/dbraw/zinc/42/28/19/950422819.db2.gz ILDMXLLHDZPOOL-UHFFFAOYSA-N -1 3 399.433 0.386 20 0 GCADHM CC(C)(C)OC(=O)NOCCCNS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001573860385 950422827 /nfs/dbraw/zinc/42/28/27/950422827.db2.gz ILDMXLLHDZPOOL-UHFFFAOYSA-N -1 3 399.433 0.386 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574991965 950425567 /nfs/dbraw/zinc/42/55/67/950425567.db2.gz UIUCQDQPGJKGOG-ONGXEEELSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574991965 950425583 /nfs/dbraw/zinc/42/55/83/950425583.db2.gz UIUCQDQPGJKGOG-ONGXEEELSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575910609 950425609 /nfs/dbraw/zinc/42/56/09/950425609.db2.gz MFOTYZBNQFAIAN-KOLCDFICSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575910609 950425627 /nfs/dbraw/zinc/42/56/27/950425627.db2.gz MFOTYZBNQFAIAN-KOLCDFICSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575911099 950433130 /nfs/dbraw/zinc/43/31/30/950433130.db2.gz DBJYABLSYNBAJX-MWLCHTKSSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575911099 950433141 /nfs/dbraw/zinc/43/31/41/950433141.db2.gz DBJYABLSYNBAJX-MWLCHTKSSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@@H](CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574506633 950438972 /nfs/dbraw/zinc/43/89/72/950438972.db2.gz AYSQZXSUBBVYMI-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574506633 950438983 /nfs/dbraw/zinc/43/89/83/950438983.db2.gz AYSQZXSUBBVYMI-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C)OC(=O)NCCN(CCO)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573861154 950440340 /nfs/dbraw/zinc/44/03/40/950440340.db2.gz VPCCPMZUVKAXCT-UHFFFAOYSA-N -1 3 392.420 0.613 20 0 GCADHM CC(C)(C)OC(=O)NCCN(CCO)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573861154 950440352 /nfs/dbraw/zinc/44/03/52/950440352.db2.gz VPCCPMZUVKAXCT-UHFFFAOYSA-N -1 3 392.420 0.613 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001573861116 950441010 /nfs/dbraw/zinc/44/10/10/950441010.db2.gz UJFDOBPNQWTALK-AWEZNQCLSA-N -1 3 390.444 0.801 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001573861116 950441024 /nfs/dbraw/zinc/44/10/24/950441024.db2.gz UJFDOBPNQWTALK-AWEZNQCLSA-N -1 3 390.444 0.801 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574992339 950443018 /nfs/dbraw/zinc/44/30/18/950443018.db2.gz ADHVZTVSEMTELT-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574992339 950443037 /nfs/dbraw/zinc/44/30/37/950443037.db2.gz ADHVZTVSEMTELT-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)n2ncc(-c3nnn[n-]3)c2N)C1 ZINC001573861328 950443606 /nfs/dbraw/zinc/44/36/06/950443606.db2.gz YOXMEWSDDSGHLN-JDNHERCYSA-N -1 3 392.420 0.748 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)c1cccnc1 ZINC001574750873 950444806 /nfs/dbraw/zinc/44/48/06/950444806.db2.gz IJNBDAYPTMQLPH-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)c1cccnc1 ZINC001574750873 950444822 /nfs/dbraw/zinc/44/48/22/950444822.db2.gz IJNBDAYPTMQLPH-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cccnc1 ZINC001574750889 950447259 /nfs/dbraw/zinc/44/72/59/950447259.db2.gz IWTFLBWMDHIFAX-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cccnc1 ZINC001574750889 950447271 /nfs/dbraw/zinc/44/72/71/950447271.db2.gz IWTFLBWMDHIFAX-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCCO1 ZINC001574750986 950447527 /nfs/dbraw/zinc/44/75/27/950447527.db2.gz JYYDSUYTZNLMIW-RYUDHWBXSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCCO1 ZINC001574750986 950447533 /nfs/dbraw/zinc/44/75/33/950447533.db2.gz JYYDSUYTZNLMIW-RYUDHWBXSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575604952 950447691 /nfs/dbraw/zinc/44/76/91/950447691.db2.gz HIZWVZLMHGNABO-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575604952 950447696 /nfs/dbraw/zinc/44/76/96/950447696.db2.gz HIZWVZLMHGNABO-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cccnc1 ZINC001574750888 950448634 /nfs/dbraw/zinc/44/86/34/950448634.db2.gz IWTFLBWMDHIFAX-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cccnc1 ZINC001574750888 950448648 /nfs/dbraw/zinc/44/86/48/950448648.db2.gz IWTFLBWMDHIFAX-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575604953 950449821 /nfs/dbraw/zinc/44/98/21/950449821.db2.gz HIZWVZLMHGNABO-WHWRDJHUSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575604953 950449838 /nfs/dbraw/zinc/44/98/38/950449838.db2.gz HIZWVZLMHGNABO-WHWRDJHUSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1[C@@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575911761 950451389 /nfs/dbraw/zinc/45/13/89/950451389.db2.gz PXSCKFWTFUOIAL-CABZTGNLSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@H]1[C@@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575911761 950451399 /nfs/dbraw/zinc/45/13/99/950451399.db2.gz PXSCKFWTFUOIAL-CABZTGNLSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@@H]1[C@@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575911763 950452749 /nfs/dbraw/zinc/45/27/49/950452749.db2.gz PXSCKFWTFUOIAL-SKDRFNHKSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@@H]1[C@@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575911763 950452759 /nfs/dbraw/zinc/45/27/59/950452759.db2.gz PXSCKFWTFUOIAL-SKDRFNHKSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574992631 950454164 /nfs/dbraw/zinc/45/41/64/950454164.db2.gz FRHQBOWGDGXLRG-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574992631 950454178 /nfs/dbraw/zinc/45/41/78/950454178.db2.gz FRHQBOWGDGXLRG-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575911903 950456389 /nfs/dbraw/zinc/45/63/89/950456389.db2.gz FREUHDGQACBIOD-SKDRFNHKSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575911903 950456402 /nfs/dbraw/zinc/45/64/02/950456402.db2.gz FREUHDGQACBIOD-SKDRFNHKSA-N -1 3 381.400 0.404 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cn1 ZINC001573861947 950457738 /nfs/dbraw/zinc/45/77/38/950457738.db2.gz MHUFBLDPGFALNN-OLZOCXBDSA-N -1 3 390.400 0.987 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cn1 ZINC001573861947 950457751 /nfs/dbraw/zinc/45/77/51/950457751.db2.gz MHUFBLDPGFALNN-OLZOCXBDSA-N -1 3 390.400 0.987 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CC1 ZINC001574166119 950458041 /nfs/dbraw/zinc/45/80/41/950458041.db2.gz MTHIUJLMLCWMDY-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CC1 ZINC001574166119 950458055 /nfs/dbraw/zinc/45/80/55/950458055.db2.gz MTHIUJLMLCWMDY-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574507647 950458232 /nfs/dbraw/zinc/45/82/32/950458232.db2.gz GXFIDGVAJCWJIP-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574507647 950458247 /nfs/dbraw/zinc/45/82/47/950458247.db2.gz GXFIDGVAJCWJIP-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnn1C1CCC1 ZINC001574993188 950462410 /nfs/dbraw/zinc/46/24/10/950462410.db2.gz KENUKZYKGFVEBN-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnn1C1CCC1 ZINC001574993188 950462430 /nfs/dbraw/zinc/46/24/30/950462430.db2.gz KENUKZYKGFVEBN-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1c(F)cccc1F ZINC001574993531 950463104 /nfs/dbraw/zinc/46/31/04/950463104.db2.gz KUVCCVOCNAQLCV-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1c(F)cccc1F ZINC001574993531 950463115 /nfs/dbraw/zinc/46/31/15/950463115.db2.gz KUVCCVOCNAQLCV-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)Cn1ccccc1=O ZINC001575912539 950466013 /nfs/dbraw/zinc/46/60/13/950466013.db2.gz GZOQZRIODHUHCA-JSGCOSHPSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)Cn1ccccc1=O ZINC001575912539 950466021 /nfs/dbraw/zinc/46/60/21/950466021.db2.gz GZOQZRIODHUHCA-JSGCOSHPSA-N -1 3 380.412 0.525 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001573862543 950466090 /nfs/dbraw/zinc/46/60/90/950466090.db2.gz WOWLJPKGHHDENJ-NSHDSACASA-N -1 3 380.430 0.757 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001573862543 950466106 /nfs/dbraw/zinc/46/61/06/950466106.db2.gz WOWLJPKGHHDENJ-NSHDSACASA-N -1 3 380.430 0.757 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C(F)F)c1 ZINC001574993594 950467552 /nfs/dbraw/zinc/46/75/52/950467552.db2.gz LJPRKWPWIUMXHH-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C(F)F)c1 ZINC001574993594 950467561 /nfs/dbraw/zinc/46/75/61/950467561.db2.gz LJPRKWPWIUMXHH-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574751961 950468007 /nfs/dbraw/zinc/46/80/07/950468007.db2.gz SCTUSUZTPFFGNW-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574751961 950468023 /nfs/dbraw/zinc/46/80/23/950468023.db2.gz SCTUSUZTPFFGNW-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574166592 950468990 /nfs/dbraw/zinc/46/89/90/950468990.db2.gz TUVVDMDKNCQYBF-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574166592 950469007 /nfs/dbraw/zinc/46/90/07/950469007.db2.gz TUVVDMDKNCQYBF-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575605581 950471982 /nfs/dbraw/zinc/47/19/82/950471982.db2.gz NDAXVZYRCJIZBK-SNUQEOBHSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575605581 950471996 /nfs/dbraw/zinc/47/19/96/950471996.db2.gz NDAXVZYRCJIZBK-SNUQEOBHSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574994419 950479338 /nfs/dbraw/zinc/47/93/38/950479338.db2.gz QKLUCPFYDYXUQI-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574994419 950479349 /nfs/dbraw/zinc/47/93/49/950479349.db2.gz QKLUCPFYDYXUQI-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ncccc1-c1nnn[n-]1 ZINC001574752352 950481629 /nfs/dbraw/zinc/48/16/29/950481629.db2.gz BIGAZSBYKBSSAA-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ncccc1-c1nn[n-]n1 ZINC001574752352 950481643 /nfs/dbraw/zinc/48/16/43/950481643.db2.gz BIGAZSBYKBSSAA-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H]1[C@@H](NCc2ncnn2CCF)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575913678 950482818 /nfs/dbraw/zinc/48/28/18/950482818.db2.gz SVKGJXQNQAZSND-MNOVXSKESA-N -1 3 388.411 0.149 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575913837 950486076 /nfs/dbraw/zinc/48/60/76/950486076.db2.gz JULOIQBDDSLCNT-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575913837 950486093 /nfs/dbraw/zinc/48/60/93/950486093.db2.gz JULOIQBDDSLCNT-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001574994568 950487840 /nfs/dbraw/zinc/48/78/40/950487840.db2.gz USVSMWWZYCTJJE-LKFCYVNXSA-N -1 3 386.391 0.268 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001574994568 950487854 /nfs/dbraw/zinc/48/78/54/950487854.db2.gz USVSMWWZYCTJJE-LKFCYVNXSA-N -1 3 386.391 0.268 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001574994571 950488144 /nfs/dbraw/zinc/48/81/44/950488144.db2.gz USVSMWWZYCTJJE-YMTOWFKASA-N -1 3 386.391 0.268 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001574994571 950488166 /nfs/dbraw/zinc/48/81/66/950488166.db2.gz USVSMWWZYCTJJE-YMTOWFKASA-N -1 3 386.391 0.268 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574508879 950488649 /nfs/dbraw/zinc/48/86/49/950488649.db2.gz PSYMBMRWIMBVAJ-GMXVVIOVSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574508879 950488661 /nfs/dbraw/zinc/48/86/61/950488661.db2.gz PSYMBMRWIMBVAJ-GMXVVIOVSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2O)CCCOC1 ZINC001575605914 950491347 /nfs/dbraw/zinc/49/13/47/950491347.db2.gz ZWVXSBRCZBYNFR-XNJGSVPQSA-N -1 3 392.485 0.406 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2O)CCCOC1 ZINC001575605914 950491365 /nfs/dbraw/zinc/49/13/65/950491365.db2.gz ZWVXSBRCZBYNFR-XNJGSVPQSA-N -1 3 392.485 0.406 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2O)CCCOC1 ZINC001575605913 950491743 /nfs/dbraw/zinc/49/17/43/950491743.db2.gz ZWVXSBRCZBYNFR-PBFPGSCMSA-N -1 3 392.485 0.406 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2O)CCCOC1 ZINC001575605913 950491754 /nfs/dbraw/zinc/49/17/54/950491754.db2.gz ZWVXSBRCZBYNFR-PBFPGSCMSA-N -1 3 392.485 0.406 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001573864022 950492052 /nfs/dbraw/zinc/49/20/52/950492052.db2.gz WOWLJPKGHHDENJ-LLVKDONJSA-N -1 3 380.430 0.757 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001573864022 950492069 /nfs/dbraw/zinc/49/20/69/950492069.db2.gz WOWLJPKGHHDENJ-LLVKDONJSA-N -1 3 380.430 0.757 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCC(=O)NC1 ZINC001575605986 950494936 /nfs/dbraw/zinc/49/49/36/950494936.db2.gz ZPFMAXLCFLVECC-GTNSWQLSSA-N -1 3 389.485 0.535 20 0 GCADHM CC(C)CCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574167989 950496327 /nfs/dbraw/zinc/49/63/27/950496327.db2.gz MLHAHBJNITWQBD-ZDUSSCGKSA-N -1 3 377.449 0.522 20 0 GCADHM CC(C)CCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574167989 950496348 /nfs/dbraw/zinc/49/63/48/950496348.db2.gz MLHAHBJNITWQBD-ZDUSSCGKSA-N -1 3 377.449 0.522 20 0 GCADHM CC(C)CCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574167988 950498021 /nfs/dbraw/zinc/49/80/21/950498021.db2.gz MLHAHBJNITWQBD-CYBMUJFWSA-N -1 3 377.449 0.522 20 0 GCADHM CC(C)CCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574167988 950498027 /nfs/dbraw/zinc/49/80/27/950498027.db2.gz MLHAHBJNITWQBD-CYBMUJFWSA-N -1 3 377.449 0.522 20 0 GCADHM C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574995012 950502547 /nfs/dbraw/zinc/50/25/47/950502547.db2.gz BZZYOJIXYNZFEY-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574995012 950502567 /nfs/dbraw/zinc/50/25/67/950502567.db2.gz BZZYOJIXYNZFEY-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575608075 950511899 /nfs/dbraw/zinc/51/18/99/950511899.db2.gz MTKHBOXERGEDGG-LIBAHTEVSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575608075 950511914 /nfs/dbraw/zinc/51/19/14/950511914.db2.gz MTKHBOXERGEDGG-LIBAHTEVSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575614398 950527182 /nfs/dbraw/zinc/52/71/82/950527182.db2.gz ASTQNJGXCRSXQL-BKTMZONDSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575614398 950527199 /nfs/dbraw/zinc/52/71/99/950527199.db2.gz ASTQNJGXCRSXQL-BKTMZONDSA-N -1 3 385.428 0.483 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574753619 950532380 /nfs/dbraw/zinc/53/23/80/950532380.db2.gz FSADLFLWWQUVKR-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574753619 950532390 /nfs/dbraw/zinc/53/23/90/950532390.db2.gz FSADLFLWWQUVKR-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573867374 950532701 /nfs/dbraw/zinc/53/27/01/950532701.db2.gz XRJPKBKFGXXZSV-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573867374 950532719 /nfs/dbraw/zinc/53/27/19/950532719.db2.gz XRJPKBKFGXXZSV-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573867364 950533412 /nfs/dbraw/zinc/53/34/12/950533412.db2.gz XLYLQNUFXVWRNX-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573867364 950533429 /nfs/dbraw/zinc/53/34/29/950533429.db2.gz XLYLQNUFXVWRNX-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573867429 950533511 /nfs/dbraw/zinc/53/35/11/950533511.db2.gz ZPAMNUIAJNAPEH-CYBMUJFWSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573867429 950533531 /nfs/dbraw/zinc/53/35/31/950533531.db2.gz ZPAMNUIAJNAPEH-CYBMUJFWSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H]1[C@@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575916374 950534341 /nfs/dbraw/zinc/53/43/41/950534341.db2.gz YWRRLNMNWAJXPX-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575916374 950534358 /nfs/dbraw/zinc/53/43/58/950534358.db2.gz YWRRLNMNWAJXPX-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001574509873 950535067 /nfs/dbraw/zinc/53/50/67/950535067.db2.gz ZZOOGWHUPQOABV-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001574509873 950535082 /nfs/dbraw/zinc/53/50/82/950535082.db2.gz ZZOOGWHUPQOABV-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573868342 950539498 /nfs/dbraw/zinc/53/94/98/950539498.db2.gz BPVZFXIQLSPRFV-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573868342 950539514 /nfs/dbraw/zinc/53/95/14/950539514.db2.gz BPVZFXIQLSPRFV-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575916747 950543701 /nfs/dbraw/zinc/54/37/01/950543701.db2.gz RHWHDSQKBWODRB-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575916747 950543714 /nfs/dbraw/zinc/54/37/14/950543714.db2.gz RHWHDSQKBWODRB-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@]1(C(N)=O)CCN(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC001575614595 950544741 /nfs/dbraw/zinc/54/47/41/950544741.db2.gz JGNMYJRYEZDOHQ-SFHVURJKSA-N -1 3 395.427 0.841 20 0 GCADHM C[C@]1(C(N)=O)CCN(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001575614595 950544762 /nfs/dbraw/zinc/54/47/62/950544762.db2.gz JGNMYJRYEZDOHQ-SFHVURJKSA-N -1 3 395.427 0.841 20 0 GCADHM CC(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574170593 950545792 /nfs/dbraw/zinc/54/57/92/950545792.db2.gz KJSPCSFRJVFDRP-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574170593 950545806 /nfs/dbraw/zinc/54/58/06/950545806.db2.gz KJSPCSFRJVFDRP-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[nH]n1 ZINC001574997700 950548834 /nfs/dbraw/zinc/54/88/34/950548834.db2.gz WVWVJTJZIYXMTH-JTQLQIEISA-N -1 3 385.432 0.837 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]n1 ZINC001574997700 950548844 /nfs/dbraw/zinc/54/88/44/950548844.db2.gz WVWVJTJZIYXMTH-JTQLQIEISA-N -1 3 385.432 0.837 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2n[nH]nc2n1 ZINC001575916777 950550279 /nfs/dbraw/zinc/55/02/79/950550279.db2.gz RXDQYACGHGQNLR-GXSJLCMTSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2n[nH]nc2n1 ZINC001575916777 950550292 /nfs/dbraw/zinc/55/02/92/950550292.db2.gz RXDQYACGHGQNLR-GXSJLCMTSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575916845 950550863 /nfs/dbraw/zinc/55/08/63/950550863.db2.gz SKVPTVNPIBHSHI-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575916845 950550878 /nfs/dbraw/zinc/55/08/78/950550878.db2.gz SKVPTVNPIBHSHI-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)CC(F)(F)C1 ZINC001575614781 950552282 /nfs/dbraw/zinc/55/22/82/950552282.db2.gz POMHZIGVFDWWDI-GDGBQDQQSA-N -1 3 391.382 0.817 20 0 GCADHM CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)CC(F)(F)C1 ZINC001575614781 950552294 /nfs/dbraw/zinc/55/22/94/950552294.db2.gz POMHZIGVFDWWDI-GDGBQDQQSA-N -1 3 391.382 0.817 20 0 GCADHM CC(C)(C)OCC(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573869177 950554387 /nfs/dbraw/zinc/55/43/87/950554387.db2.gz MDIIKPVZQAFZPM-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573869177 950554401 /nfs/dbraw/zinc/55/44/01/950554401.db2.gz MDIIKPVZQAFZPM-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nsc(N(C)C)n1 ZINC001574753981 950554566 /nfs/dbraw/zinc/55/45/66/950554566.db2.gz JAPXKDFGRHLMMY-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nsc(N(C)C)n1 ZINC001574753981 950554582 /nfs/dbraw/zinc/55/45/82/950554582.db2.gz JAPXKDFGRHLMMY-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001573869151 950557916 /nfs/dbraw/zinc/55/79/16/950557916.db2.gz LLUHCZMCMSIQSX-OLZOCXBDSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573869151 950557929 /nfs/dbraw/zinc/55/79/29/950557929.db2.gz LLUHCZMCMSIQSX-OLZOCXBDSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)[C@H](CNC(=O)CN1CCC(C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576206348 950570899 /nfs/dbraw/zinc/57/08/99/950570899.db2.gz WWGXUXRNWZAJFY-AWEZNQCLSA-N -1 3 387.492 0.941 20 0 GCADHM CC(C)(C)OCC(=O)NCC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573869609 950571125 /nfs/dbraw/zinc/57/11/25/950571125.db2.gz AJAFCXQUFPCIDZ-UHFFFAOYSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NCC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573869609 950571138 /nfs/dbraw/zinc/57/11/38/950571138.db2.gz AJAFCXQUFPCIDZ-UHFFFAOYSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573869735 950577161 /nfs/dbraw/zinc/57/71/61/950577161.db2.gz BYUVFPVIRVLJAU-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573869735 950577183 /nfs/dbraw/zinc/57/71/83/950577183.db2.gz BYUVFPVIRVLJAU-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574754768 950581132 /nfs/dbraw/zinc/58/11/32/950581132.db2.gz PQKTWOCHPBRZDC-NVBFEUDRSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574754768 950581151 /nfs/dbraw/zinc/58/11/51/950581151.db2.gz PQKTWOCHPBRZDC-NVBFEUDRSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)C(F)(F)F ZINC001574511966 950583180 /nfs/dbraw/zinc/58/31/80/950583180.db2.gz YBIKCSDFZJZGGN-GGZOMVNGSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)C(F)(F)F ZINC001574511966 950583197 /nfs/dbraw/zinc/58/31/97/950583197.db2.gz YBIKCSDFZJZGGN-GGZOMVNGSA-N -1 3 385.350 0.516 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573870163 950585199 /nfs/dbraw/zinc/58/51/99/950585199.db2.gz FQOOWSNWZHLSSW-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573870163 950585221 /nfs/dbraw/zinc/58/52/21/950585221.db2.gz FQOOWSNWZHLSSW-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573870162 950585874 /nfs/dbraw/zinc/58/58/74/950585874.db2.gz FQOOWSNWZHLSSW-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573870162 950585886 /nfs/dbraw/zinc/58/58/86/950585886.db2.gz FQOOWSNWZHLSSW-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917596 950586529 /nfs/dbraw/zinc/58/65/29/950586529.db2.gz ZSPLMAGHRDAPQH-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917596 950586544 /nfs/dbraw/zinc/58/65/44/950586544.db2.gz ZSPLMAGHRDAPQH-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C)NC(N)=O ZINC001574512792 950588139 /nfs/dbraw/zinc/58/81/39/950588139.db2.gz CNUZCVBMOWCRSJ-FOGDFJRCSA-N -1 3 390.423 0.536 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C)NC(N)=O ZINC001574512792 950588146 /nfs/dbraw/zinc/58/81/46/950588146.db2.gz CNUZCVBMOWCRSJ-FOGDFJRCSA-N -1 3 390.423 0.536 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001574755218 950592016 /nfs/dbraw/zinc/59/20/16/950592016.db2.gz STWAIGMBLAOHKV-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001574755218 950592033 /nfs/dbraw/zinc/59/20/33/950592033.db2.gz STWAIGMBLAOHKV-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575000048 950592887 /nfs/dbraw/zinc/59/28/87/950592887.db2.gz OQPXOQJYHCQVBE-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575000048 950592908 /nfs/dbraw/zinc/59/29/08/950592908.db2.gz OQPXOQJYHCQVBE-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000063 950592989 /nfs/dbraw/zinc/59/29/89/950592989.db2.gz OUCGRAYKUAXMEY-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000063 950593014 /nfs/dbraw/zinc/59/30/14/950593014.db2.gz OUCGRAYKUAXMEY-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575616976 950595619 /nfs/dbraw/zinc/59/56/19/950595619.db2.gz WUVBHZYOKDTUPN-SNVBAGLBSA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575616976 950595633 /nfs/dbraw/zinc/59/56/33/950595633.db2.gz WUVBHZYOKDTUPN-SNVBAGLBSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575000271 950597518 /nfs/dbraw/zinc/59/75/18/950597518.db2.gz BUVUPKXYKAYKJZ-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575000271 950597532 /nfs/dbraw/zinc/59/75/32/950597532.db2.gz BUVUPKXYKAYKJZ-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000264 950600453 /nfs/dbraw/zinc/60/04/53/950600453.db2.gz BUDZQQWFFBGJLO-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000264 950600469 /nfs/dbraw/zinc/60/04/69/950600469.db2.gz BUDZQQWFFBGJLO-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cncnc1 ZINC001574756288 950604009 /nfs/dbraw/zinc/60/40/09/950604009.db2.gz YNQNJFCEMQSTMN-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cncnc1 ZINC001574756288 950604025 /nfs/dbraw/zinc/60/40/25/950604025.db2.gz YNQNJFCEMQSTMN-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000418 950604275 /nfs/dbraw/zinc/60/42/75/950604275.db2.gz CQDCYNKJUKJFSM-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000418 950604286 /nfs/dbraw/zinc/60/42/86/950604286.db2.gz CQDCYNKJUKJFSM-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)C1(C)C ZINC001575617939 950604600 /nfs/dbraw/zinc/60/46/00/950604600.db2.gz DUFGCRVSBMQJFO-SNVBAGLBSA-N -1 3 377.424 0.972 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)C1(C)C ZINC001575617939 950604622 /nfs/dbraw/zinc/60/46/22/950604622.db2.gz DUFGCRVSBMQJFO-SNVBAGLBSA-N -1 3 377.424 0.972 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575000502 950606677 /nfs/dbraw/zinc/60/66/77/950606677.db2.gz QEFGTJMWQLCDFD-LURJTMIESA-N -1 3 379.331 0.404 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575000502 950606684 /nfs/dbraw/zinc/60/66/84/950606684.db2.gz QEFGTJMWQLCDFD-LURJTMIESA-N -1 3 379.331 0.404 20 0 GCADHM CC1(C)C(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1(C)C ZINC001575618211 950609945 /nfs/dbraw/zinc/60/99/45/950609945.db2.gz IAAQOHSDLHJGCC-UHFFFAOYSA-N -1 3 389.460 0.428 20 0 GCADHM CC1(C)C(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1(C)C ZINC001575618211 950609958 /nfs/dbraw/zinc/60/99/58/950609958.db2.gz IAAQOHSDLHJGCC-UHFFFAOYSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1 ZINC001573871338 950612346 /nfs/dbraw/zinc/61/23/46/950612346.db2.gz OESCQMBNBWKBJF-ZDUSSCGKSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1 ZINC001573871338 950612363 /nfs/dbraw/zinc/61/23/63/950612363.db2.gz OESCQMBNBWKBJF-ZDUSSCGKSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574174061 950615370 /nfs/dbraw/zinc/61/53/70/950615370.db2.gz FGTVJDKFPACKGU-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574174061 950615395 /nfs/dbraw/zinc/61/53/95/950615395.db2.gz FGTVJDKFPACKGU-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000880 950616001 /nfs/dbraw/zinc/61/60/01/950616001.db2.gz HPFVNJOCONYEEH-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000880 950616018 /nfs/dbraw/zinc/61/60/18/950616018.db2.gz HPFVNJOCONYEEH-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1Cc1ccccc1-c1nnn[n-]1 ZINC001573871116 950616184 /nfs/dbraw/zinc/61/61/84/950616184.db2.gz NFMUGANQRSLXFL-OAHLLOKOSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001573871116 950616195 /nfs/dbraw/zinc/61/61/95/950616195.db2.gz NFMUGANQRSLXFL-OAHLLOKOSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573871422 950618332 /nfs/dbraw/zinc/61/83/32/950618332.db2.gz PYZVFXXNFIYOQF-CYBMUJFWSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573871422 950618349 /nfs/dbraw/zinc/61/83/49/950618349.db2.gz PYZVFXXNFIYOQF-CYBMUJFWSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573871549 950619033 /nfs/dbraw/zinc/61/90/33/950619033.db2.gz RRGFPECJGBHHGZ-CNDDSTCGSA-N -1 3 387.444 0.444 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573871549 950619048 /nfs/dbraw/zinc/61/90/48/950619048.db2.gz RRGFPECJGBHHGZ-CNDDSTCGSA-N -1 3 387.444 0.444 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513800 950619151 /nfs/dbraw/zinc/61/91/51/950619151.db2.gz ZZOOGWHUPQOABV-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513800 950619167 /nfs/dbraw/zinc/61/91/67/950619167.db2.gz ZZOOGWHUPQOABV-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc2cn[nH]c21)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574758947 950621508 /nfs/dbraw/zinc/62/15/08/950621508.db2.gz IGJSPWGUOGYEBM-JTQLQIEISA-N -1 3 378.400 0.528 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc2c[nH]nc21)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574758947 950621516 /nfs/dbraw/zinc/62/15/16/950621516.db2.gz IGJSPWGUOGYEBM-JTQLQIEISA-N -1 3 378.400 0.528 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc2cn[nH]c21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758947 950621525 /nfs/dbraw/zinc/62/15/25/950621525.db2.gz IGJSPWGUOGYEBM-JTQLQIEISA-N -1 3 378.400 0.528 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc2c[nH]nc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758947 950621538 /nfs/dbraw/zinc/62/15/38/950621538.db2.gz IGJSPWGUOGYEBM-JTQLQIEISA-N -1 3 378.400 0.528 20 0 GCADHM CC1(C)C(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1(C)C ZINC001575619320 950624171 /nfs/dbraw/zinc/62/41/71/950624171.db2.gz OWXHFEYZASCCEO-VXGBXAGGSA-N -1 3 387.444 0.179 20 0 GCADHM CC1(C)C(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1(C)C ZINC001575619320 950624182 /nfs/dbraw/zinc/62/41/82/950624182.db2.gz OWXHFEYZASCCEO-VXGBXAGGSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001573872034 950631311 /nfs/dbraw/zinc/63/13/11/950631311.db2.gz YNKQPXRNBYCVCY-GOSISDBHSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001573872034 950631321 /nfs/dbraw/zinc/63/13/21/950631321.db2.gz YNKQPXRNBYCVCY-GOSISDBHSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574759295 950636391 /nfs/dbraw/zinc/63/63/91/950636391.db2.gz MOSBHOFOHRNQDM-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574759295 950636406 /nfs/dbraw/zinc/63/64/06/950636406.db2.gz MOSBHOFOHRNQDM-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573873348 950638814 /nfs/dbraw/zinc/63/88/14/950638814.db2.gz KDMLTDAKYHZSKD-UMSPYCQHSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573873348 950638824 /nfs/dbraw/zinc/63/88/24/950638824.db2.gz KDMLTDAKYHZSKD-UMSPYCQHSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574174560 950640022 /nfs/dbraw/zinc/64/00/22/950640022.db2.gz SVZDLKYNLIFXHQ-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574174560 950640037 /nfs/dbraw/zinc/64/00/37/950640037.db2.gz SVZDLKYNLIFXHQ-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574517783 950645499 /nfs/dbraw/zinc/64/54/99/950645499.db2.gz MCKLBBSPQWXODC-RAIGVLPGSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574517783 950645515 /nfs/dbraw/zinc/64/55/15/950645515.db2.gz MCKLBBSPQWXODC-RAIGVLPGSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574759767 950645822 /nfs/dbraw/zinc/64/58/22/950645822.db2.gz DTTYZCYEHNHNQS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574759767 950645841 /nfs/dbraw/zinc/64/58/41/950645841.db2.gz DTTYZCYEHNHNQS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574517701 950647120 /nfs/dbraw/zinc/64/71/20/950647120.db2.gz LMEWFQKYIRFSDW-PBOSXPJTSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574517701 950647132 /nfs/dbraw/zinc/64/71/32/950647132.db2.gz LMEWFQKYIRFSDW-PBOSXPJTSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574759766 950647785 /nfs/dbraw/zinc/64/77/85/950647785.db2.gz DTTYZCYEHNHNQS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574759766 950647798 /nfs/dbraw/zinc/64/77/98/950647798.db2.gz DTTYZCYEHNHNQS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575002009 950650910 /nfs/dbraw/zinc/65/09/10/950650910.db2.gz YJWNHQYVFROAMM-VIFPVBQESA-N -1 3 386.441 0.677 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575002009 950650919 /nfs/dbraw/zinc/65/09/19/950650919.db2.gz YJWNHQYVFROAMM-VIFPVBQESA-N -1 3 386.441 0.677 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573873674 950652440 /nfs/dbraw/zinc/65/24/40/950652440.db2.gz XSPAQMLPQHPUSV-DGCLKSJQSA-N -1 3 378.408 0.487 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573873674 950652452 /nfs/dbraw/zinc/65/24/52/950652452.db2.gz XSPAQMLPQHPUSV-DGCLKSJQSA-N -1 3 378.408 0.487 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H](O)C2)C1 ZINC001575623552 950653339 /nfs/dbraw/zinc/65/33/39/950653339.db2.gz COKHWBCGELBZHS-BXUZGUMPSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H](O)C2)C1 ZINC001575623552 950653353 /nfs/dbraw/zinc/65/33/53/950653353.db2.gz COKHWBCGELBZHS-BXUZGUMPSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)nn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574760172 950654229 /nfs/dbraw/zinc/65/42/29/950654229.db2.gz GULSBTJDCUFWAE-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)nn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574760172 950654239 /nfs/dbraw/zinc/65/42/39/950654239.db2.gz GULSBTJDCUFWAE-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575002306 950657768 /nfs/dbraw/zinc/65/77/68/950657768.db2.gz RRGMUBJMEOZYIG-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575002306 950657775 /nfs/dbraw/zinc/65/77/75/950657775.db2.gz RRGMUBJMEOZYIG-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575002326 950659165 /nfs/dbraw/zinc/65/91/65/950659165.db2.gz SCVRKQFGZSKHPR-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575002326 950659181 /nfs/dbraw/zinc/65/91/81/950659181.db2.gz SCVRKQFGZSKHPR-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575002598 950664129 /nfs/dbraw/zinc/66/41/29/950664129.db2.gz VUWJLFNYQRMHHI-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575002598 950664142 /nfs/dbraw/zinc/66/41/42/950664142.db2.gz VUWJLFNYQRMHHI-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574518895 950664558 /nfs/dbraw/zinc/66/45/58/950664558.db2.gz RNFHMMIULPSDRK-SPTRTOBYSA-N -1 3 388.407 0.004 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574518895 950664565 /nfs/dbraw/zinc/66/45/65/950664565.db2.gz RNFHMMIULPSDRK-SPTRTOBYSA-N -1 3 388.407 0.004 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574519029 950667249 /nfs/dbraw/zinc/66/72/49/950667249.db2.gz AQUPCULTFFDAMN-DGCLKSJQSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574519029 950667265 /nfs/dbraw/zinc/66/72/65/950667265.db2.gz AQUPCULTFFDAMN-DGCLKSJQSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575002778 950669112 /nfs/dbraw/zinc/66/91/12/950669112.db2.gz WSHFEJUJOQFJOS-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575002778 950669123 /nfs/dbraw/zinc/66/91/23/950669123.db2.gz WSHFEJUJOQFJOS-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM CC(C)CCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574176110 950670460 /nfs/dbraw/zinc/67/04/60/950670460.db2.gz UKVZQUQTNWERKC-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574176110 950670472 /nfs/dbraw/zinc/67/04/72/950670472.db2.gz UKVZQUQTNWERKC-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001575924357 950670776 /nfs/dbraw/zinc/67/07/76/950670776.db2.gz FFODHTJVMMGXSU-KOLCDFICSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575005338 950679482 /nfs/dbraw/zinc/67/94/82/950679482.db2.gz BJCFWBKQZVQVPR-GOSISDBHSA-N -1 3 385.428 0.556 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575005338 950679501 /nfs/dbraw/zinc/67/95/01/950679501.db2.gz BJCFWBKQZVQVPR-GOSISDBHSA-N -1 3 385.428 0.556 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575005516 950688901 /nfs/dbraw/zinc/68/89/01/950688901.db2.gz GUICJYXUKGCFMZ-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575005516 950688909 /nfs/dbraw/zinc/68/89/09/950688909.db2.gz GUICJYXUKGCFMZ-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573877517 950691457 /nfs/dbraw/zinc/69/14/57/950691457.db2.gz DLCTYWMFIXTRDO-ZIAGYGMSSA-N -1 3 399.503 0.577 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573877825 950694975 /nfs/dbraw/zinc/69/49/75/950694975.db2.gz HPWVUYMZUZXEAZ-QJPTWQEYSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573877825 950694989 /nfs/dbraw/zinc/69/49/89/950694989.db2.gz HPWVUYMZUZXEAZ-QJPTWQEYSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573877824 950697398 /nfs/dbraw/zinc/69/73/98/950697398.db2.gz HPWVUYMZUZXEAZ-IJLUTSLNSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573877824 950697409 /nfs/dbraw/zinc/69/74/09/950697409.db2.gz HPWVUYMZUZXEAZ-IJLUTSLNSA-N -1 3 375.433 0.084 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001575005726 950697508 /nfs/dbraw/zinc/69/75/08/950697508.db2.gz LTKNLNXKCCSCIJ-SGTLLEGYSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001575005726 950697523 /nfs/dbraw/zinc/69/75/23/950697523.db2.gz LTKNLNXKCCSCIJ-SGTLLEGYSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574519884 950699589 /nfs/dbraw/zinc/69/95/89/950699589.db2.gz JLVDAEUGQHYAPN-GHMZBOCLSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574519884 950699605 /nfs/dbraw/zinc/69/96/05/950699605.db2.gz JLVDAEUGQHYAPN-GHMZBOCLSA-N -1 3 377.449 0.474 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575625879 950699597 /nfs/dbraw/zinc/69/95/97/950699597.db2.gz ZLODBSWIQMLUDV-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575625879 950699609 /nfs/dbraw/zinc/69/96/09/950699609.db2.gz ZLODBSWIQMLUDV-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573878054 950701653 /nfs/dbraw/zinc/70/16/53/950701653.db2.gz IZXJMCIOGCSJCP-CHWSQXEVSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573878054 950701664 /nfs/dbraw/zinc/70/16/64/950701664.db2.gz IZXJMCIOGCSJCP-CHWSQXEVSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574762227 950703279 /nfs/dbraw/zinc/70/32/79/950703279.db2.gz XPRZXAKPVWYLNO-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574762227 950703294 /nfs/dbraw/zinc/70/32/94/950703294.db2.gz XPRZXAKPVWYLNO-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cc1ccon1)C1CC1 ZINC001575005878 950707479 /nfs/dbraw/zinc/70/74/79/950707479.db2.gz PFAPMLQXWZUIOJ-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cc1ccon1)C1CC1 ZINC001575005878 950707488 /nfs/dbraw/zinc/70/74/88/950707488.db2.gz PFAPMLQXWZUIOJ-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573878505 950710661 /nfs/dbraw/zinc/71/06/61/950710661.db2.gz RCWXFCFTEOFBKL-GHMZBOCLSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573878505 950710691 /nfs/dbraw/zinc/71/06/91/950710691.db2.gz RCWXFCFTEOFBKL-GHMZBOCLSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573878402 950710853 /nfs/dbraw/zinc/71/08/53/950710853.db2.gz PHCKTDQBRLXXED-CHWSQXEVSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573878402 950710872 /nfs/dbraw/zinc/71/08/72/950710872.db2.gz PHCKTDQBRLXXED-CHWSQXEVSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cccnn1)C1CC1 ZINC001575006016 950711051 /nfs/dbraw/zinc/71/10/51/950711051.db2.gz QFWPDANXIKRYOG-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cccnn1)C1CC1 ZINC001575006016 950711064 /nfs/dbraw/zinc/71/10/64/950711064.db2.gz QFWPDANXIKRYOG-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574520069 950712295 /nfs/dbraw/zinc/71/22/95/950712295.db2.gz LAGXTGDVEZIZTQ-WDEREUQCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574520069 950712311 /nfs/dbraw/zinc/71/23/11/950712311.db2.gz LAGXTGDVEZIZTQ-WDEREUQCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001575006201 950716375 /nfs/dbraw/zinc/71/63/75/950716375.db2.gz RZZWMWXHZASDNA-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001575006201 950716385 /nfs/dbraw/zinc/71/63/85/950716385.db2.gz RZZWMWXHZASDNA-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573878655 950717096 /nfs/dbraw/zinc/71/70/96/950717096.db2.gz YMEPWLOZOYYPQW-GMTAPVOTSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573878655 950717109 /nfs/dbraw/zinc/71/71/09/950717109.db2.gz YMEPWLOZOYYPQW-GMTAPVOTSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574180307 950723511 /nfs/dbraw/zinc/72/35/11/950723511.db2.gz REXJWXCRPLGUEZ-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574180307 950723525 /nfs/dbraw/zinc/72/35/25/950723525.db2.gz REXJWXCRPLGUEZ-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574180351 950723660 /nfs/dbraw/zinc/72/36/60/950723660.db2.gz SDRNYJQOHWEXEN-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574180351 950723675 /nfs/dbraw/zinc/72/36/75/950723675.db2.gz SDRNYJQOHWEXEN-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)c1cc(C(=O)NCc2cncc(-c3nnn[n-]3)c2)nc2ncnn21 ZINC001573879420 950724887 /nfs/dbraw/zinc/72/48/87/950724887.db2.gz BLVORNWLIMBVBD-UHFFFAOYSA-N -1 3 378.400 0.927 20 0 GCADHM CC(C)(C)c1cc(C(=O)NCc2cncc(-c3nn[n-]n3)c2)nc2ncnn21 ZINC001573879420 950724903 /nfs/dbraw/zinc/72/49/03/950724903.db2.gz BLVORNWLIMBVBD-UHFFFAOYSA-N -1 3 378.400 0.927 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1ccnc1 ZINC001574520352 950724973 /nfs/dbraw/zinc/72/49/73/950724973.db2.gz QINRHMLDPUCDDE-PVTKRXDGSA-N -1 3 380.416 0.055 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1ccnc1 ZINC001574520352 950724986 /nfs/dbraw/zinc/72/49/86/950724986.db2.gz QINRHMLDPUCDDE-PVTKRXDGSA-N -1 3 380.416 0.055 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574763721 950731065 /nfs/dbraw/zinc/73/10/65/950731065.db2.gz IWMNYUOTHJDDEL-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574763721 950731080 /nfs/dbraw/zinc/73/10/80/950731080.db2.gz IWMNYUOTHJDDEL-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)no1 ZINC001573879878 950732328 /nfs/dbraw/zinc/73/23/28/950732328.db2.gz MWZFGVOKBIWUNL-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)no1 ZINC001573879878 950732344 /nfs/dbraw/zinc/73/23/44/950732344.db2.gz MWZFGVOKBIWUNL-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574180944 950735522 /nfs/dbraw/zinc/73/55/22/950735522.db2.gz GZCPWGVGIYOXDF-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574180944 950735532 /nfs/dbraw/zinc/73/55/32/950735532.db2.gz GZCPWGVGIYOXDF-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)c1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)[nH]n1 ZINC001573879936 950737045 /nfs/dbraw/zinc/73/70/45/950737045.db2.gz PFFBQKIGJLLUNL-OLZOCXBDSA-N -1 3 397.443 0.262 20 0 GCADHM CC(C)(C)c1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)[nH]n1 ZINC001573879936 950737059 /nfs/dbraw/zinc/73/70/59/950737059.db2.gz PFFBQKIGJLLUNL-OLZOCXBDSA-N -1 3 397.443 0.262 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574520560 950738268 /nfs/dbraw/zinc/73/82/68/950738268.db2.gz URGMRMGHGLSKOJ-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574520560 950738287 /nfs/dbraw/zinc/73/82/87/950738287.db2.gz URGMRMGHGLSKOJ-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ncoc1C1CC1 ZINC001575008146 950738884 /nfs/dbraw/zinc/73/88/84/950738884.db2.gz BWFBQEUPMLUDMI-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1ncoc1C1CC1 ZINC001575008146 950738899 /nfs/dbraw/zinc/73/88/99/950738899.db2.gz BWFBQEUPMLUDMI-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574181035 950740017 /nfs/dbraw/zinc/74/00/17/950740017.db2.gz JCFKPUYBMUIGCU-LLVKDONJSA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574181035 950740029 /nfs/dbraw/zinc/74/00/29/950740029.db2.gz JCFKPUYBMUIGCU-LLVKDONJSA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574763878 950740375 /nfs/dbraw/zinc/74/03/75/950740375.db2.gz MVWDMHRQJNYIPU-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574763878 950740392 /nfs/dbraw/zinc/74/03/92/950740392.db2.gz MVWDMHRQJNYIPU-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cncs1 ZINC001575008226 950741069 /nfs/dbraw/zinc/74/10/69/950741069.db2.gz CVZWMEBTUSTGFG-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cncs1 ZINC001575008226 950741082 /nfs/dbraw/zinc/74/10/82/950741082.db2.gz CVZWMEBTUSTGFG-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC1(C)CC(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)C1 ZINC001575629610 950743151 /nfs/dbraw/zinc/74/31/51/950743151.db2.gz QYZJLKKSGBJWRZ-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)C1 ZINC001575629610 950743161 /nfs/dbraw/zinc/74/31/61/950743161.db2.gz QYZJLKKSGBJWRZ-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C)c1cc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001573880385 950745070 /nfs/dbraw/zinc/74/50/70/950745070.db2.gz YFMSMQZRVXEBBF-GFCCVEGCSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001573880385 950745079 /nfs/dbraw/zinc/74/50/79/950745079.db2.gz YFMSMQZRVXEBBF-GFCCVEGCSA-N -1 3 388.432 0.361 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574764274 950746580 /nfs/dbraw/zinc/74/65/80/950746580.db2.gz RUBIYXXNDGNJPK-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574764274 950746592 /nfs/dbraw/zinc/74/65/92/950746592.db2.gz RUBIYXXNDGNJPK-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM CC(C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574181736 950747921 /nfs/dbraw/zinc/74/79/21/950747921.db2.gz PBYBVTYRZMQJPD-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574181736 950747940 /nfs/dbraw/zinc/74/79/40/950747940.db2.gz PBYBVTYRZMQJPD-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCCn1cccn1 ZINC001575008816 950755093 /nfs/dbraw/zinc/75/50/93/950755093.db2.gz IOKYYKXUINWMEX-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCCn1cccn1 ZINC001575008816 950755100 /nfs/dbraw/zinc/75/51/00/950755100.db2.gz IOKYYKXUINWMEX-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)CCn3cnccc3=O)c(-c3nnn[n-]3)cc2C1 ZINC001576217273 950755169 /nfs/dbraw/zinc/75/51/69/950755169.db2.gz LMEOZXFHYMWNHK-NSHDSACASA-N -1 3 380.412 0.972 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)CCn3cnccc3=O)c(-c3nn[n-]n3)cc2C1 ZINC001576217273 950755178 /nfs/dbraw/zinc/75/51/78/950755178.db2.gz LMEOZXFHYMWNHK-NSHDSACASA-N -1 3 380.412 0.972 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574764658 950756399 /nfs/dbraw/zinc/75/63/99/950756399.db2.gz VQRYGGGKHWMJNZ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574764658 950756416 /nfs/dbraw/zinc/75/64/16/950756416.db2.gz VQRYGGGKHWMJNZ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575008788 950756668 /nfs/dbraw/zinc/75/66/68/950756668.db2.gz IHEITEAVXIWAMZ-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575008788 950756682 /nfs/dbraw/zinc/75/66/82/950756682.db2.gz IHEITEAVXIWAMZ-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001575008793 950756768 /nfs/dbraw/zinc/75/67/68/950756768.db2.gz IHMRBZPNGJTNLX-NWDGAFQWSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001575008793 950756786 /nfs/dbraw/zinc/75/67/86/950756786.db2.gz IHMRBZPNGJTNLX-NWDGAFQWSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217396 950758922 /nfs/dbraw/zinc/75/89/22/950758922.db2.gz NJOOQPKTWAHMKV-UWVGGRQHSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001575008882 950760528 /nfs/dbraw/zinc/76/05/28/950760528.db2.gz JPBITHREJZXZEI-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001575008882 950760543 /nfs/dbraw/zinc/76/05/43/950760543.db2.gz JPBITHREJZXZEI-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574182765 950762781 /nfs/dbraw/zinc/76/27/81/950762781.db2.gz YJEYTLOCKFNMRF-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574182765 950762795 /nfs/dbraw/zinc/76/27/95/950762795.db2.gz YJEYTLOCKFNMRF-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575008888 950762991 /nfs/dbraw/zinc/76/29/91/950762991.db2.gz JUFXONIUZUUHIN-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575008888 950763008 /nfs/dbraw/zinc/76/30/08/950763008.db2.gz JUFXONIUZUUHIN-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574182771 950763155 /nfs/dbraw/zinc/76/31/55/950763155.db2.gz YNIFLNVECGCFPP-OKILXGFUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574182771 950763180 /nfs/dbraw/zinc/76/31/80/950763180.db2.gz YNIFLNVECGCFPP-OKILXGFUSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H](C)n1cccn1 ZINC001575009084 950768649 /nfs/dbraw/zinc/76/86/49/950768649.db2.gz NGLXPPCFBUPZNR-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H](C)n1cccn1 ZINC001575009084 950768657 /nfs/dbraw/zinc/76/86/57/950768657.db2.gz NGLXPPCFBUPZNR-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)CCN3C(=O)CCC3=O)c(-c3nnn[n-]3)cc2C1 ZINC001576217706 950770322 /nfs/dbraw/zinc/77/03/22/950770322.db2.gz NWBWQRGMXVGKKF-JTQLQIEISA-N -1 3 383.412 0.864 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)CCN3C(=O)CCC3=O)c(-c3nn[n-]n3)cc2C1 ZINC001576217706 950770339 /nfs/dbraw/zinc/77/03/39/950770339.db2.gz NWBWQRGMXVGKKF-JTQLQIEISA-N -1 3 383.412 0.864 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cncs1 ZINC001574521119 950771404 /nfs/dbraw/zinc/77/14/04/950771404.db2.gz DDJXYVMOIAXKDH-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cncs1 ZINC001574521119 950771418 /nfs/dbraw/zinc/77/14/18/950771418.db2.gz DDJXYVMOIAXKDH-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H]1CCn2ncc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)cn3)c2C1 ZINC001576217918 950775290 /nfs/dbraw/zinc/77/52/90/950775290.db2.gz PHIQCXPLHLKBNZ-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@H]1CCn2ncc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)cn3)c2C1 ZINC001576217918 950775306 /nfs/dbraw/zinc/77/53/06/950775306.db2.gz PHIQCXPLHLKBNZ-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COCC1CCCC1 ZINC001575009203 950778145 /nfs/dbraw/zinc/77/81/45/950778145.db2.gz PUAFSWNDARRJEJ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COCC1CCCC1 ZINC001575009203 950778165 /nfs/dbraw/zinc/77/81/65/950778165.db2.gz PUAFSWNDARRJEJ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CC[C@H](C)NC(=O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574184441 950779992 /nfs/dbraw/zinc/77/99/92/950779992.db2.gz KAUWBZLWMUWNON-LBPRGKRZSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)CC[C@H](C)NC(=O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574184441 950780000 /nfs/dbraw/zinc/78/00/00/950780000.db2.gz KAUWBZLWMUWNON-LBPRGKRZSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574184400 950780763 /nfs/dbraw/zinc/78/07/63/950780763.db2.gz JERPXJBBXGIYPV-CYBMUJFWSA-N -1 3 391.476 0.912 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574184400 950780783 /nfs/dbraw/zinc/78/07/83/950780783.db2.gz JERPXJBBXGIYPV-CYBMUJFWSA-N -1 3 391.476 0.912 20 0 GCADHM CC(C)(C)c1csc(NC(=O)NC[C@@H](O)Cn2ccnn2)c1-c1nnn[n-]1 ZINC001573884060 950783857 /nfs/dbraw/zinc/78/38/57/950783857.db2.gz FRMXXYLRHUONTA-SECBINFHSA-N -1 3 391.461 1.000 20 0 GCADHM CC(C)(C)c1csc(NC(=O)NC[C@@H](O)Cn2ccnn2)c1-c1nn[n-]n1 ZINC001573884060 950783873 /nfs/dbraw/zinc/78/38/73/950783873.db2.gz FRMXXYLRHUONTA-SECBINFHSA-N -1 3 391.461 1.000 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnns1 ZINC001575929241 950784191 /nfs/dbraw/zinc/78/41/91/950784191.db2.gz BCNANVLVGRKECD-XCBNKYQSSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnns1 ZINC001575929241 950784202 /nfs/dbraw/zinc/78/42/02/950784202.db2.gz BCNANVLVGRKECD-XCBNKYQSSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575929614 950786012 /nfs/dbraw/zinc/78/60/12/950786012.db2.gz CSUDTCGUQRTGEZ-ZWNOBZJWSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575929614 950786030 /nfs/dbraw/zinc/78/60/30/950786030.db2.gz CSUDTCGUQRTGEZ-ZWNOBZJWSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576218375 950786495 /nfs/dbraw/zinc/78/64/95/950786495.db2.gz LPSQSLJZCVAJBI-GZMMTYOYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576218375 950786507 /nfs/dbraw/zinc/78/65/07/950786507.db2.gz LPSQSLJZCVAJBI-GZMMTYOYSA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573884149 950787877 /nfs/dbraw/zinc/78/78/77/950787877.db2.gz AGOVPLHSHQCCNC-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573884149 950787892 /nfs/dbraw/zinc/78/78/92/950787892.db2.gz AGOVPLHSHQCCNC-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575929613 950788055 /nfs/dbraw/zinc/78/80/55/950788055.db2.gz CSUDTCGUQRTGEZ-MFKMUULPSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575929613 950788069 /nfs/dbraw/zinc/78/80/69/950788069.db2.gz CSUDTCGUQRTGEZ-MFKMUULPSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575009337 950788438 /nfs/dbraw/zinc/78/84/38/950788438.db2.gz UFEKQBQGOGDXEK-NEPJUHHUSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575009337 950788448 /nfs/dbraw/zinc/78/84/48/950788448.db2.gz UFEKQBQGOGDXEK-NEPJUHHUSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765596 950793650 /nfs/dbraw/zinc/79/36/50/950793650.db2.gz FJDWYZOHOOSQRQ-CYBMUJFWSA-N -1 3 388.476 0.648 20 0 GCADHM CC(C)CC[C@@H](C)NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574185056 950794538 /nfs/dbraw/zinc/79/45/38/950794538.db2.gz SFKDYYKZPVMQTR-GFCCVEGCSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)CC[C@@H](C)NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574185056 950794554 /nfs/dbraw/zinc/79/45/54/950794554.db2.gz SFKDYYKZPVMQTR-GFCCVEGCSA-N -1 3 388.476 0.550 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CC1OCCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574522502 950794558 /nfs/dbraw/zinc/79/45/58/950794558.db2.gz JQSYKRQMICLGRX-WDEREUQCSA-N -1 3 391.432 0.361 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CC1OCCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574522502 950794570 /nfs/dbraw/zinc/79/45/70/950794570.db2.gz JQSYKRQMICLGRX-WDEREUQCSA-N -1 3 391.432 0.361 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@]1(C)CCCOC1 ZINC001575009642 950794748 /nfs/dbraw/zinc/79/47/48/950794748.db2.gz WBNPKRGABABXOW-APPDUMDISA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@]1(C)CCCOC1 ZINC001575009642 950794759 /nfs/dbraw/zinc/79/47/59/950794759.db2.gz WBNPKRGABABXOW-APPDUMDISA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@]1(C)CCCOC1 ZINC001575009644 950795071 /nfs/dbraw/zinc/79/50/71/950795071.db2.gz WBNPKRGABABXOW-GTNSWQLSSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@]1(C)CCCOC1 ZINC001575009644 950795083 /nfs/dbraw/zinc/79/50/83/950795083.db2.gz WBNPKRGABABXOW-GTNSWQLSSA-N -1 3 375.433 0.494 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573884527 950796635 /nfs/dbraw/zinc/79/66/35/950796635.db2.gz DUBBVIXZSLRQKK-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573884527 950796662 /nfs/dbraw/zinc/79/66/62/950796662.db2.gz DUBBVIXZSLRQKK-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573884417 950796792 /nfs/dbraw/zinc/79/67/92/950796792.db2.gz MMHNLFZZYMRNGZ-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573884417 950796805 /nfs/dbraw/zinc/79/68/05/950796805.db2.gz MMHNLFZZYMRNGZ-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1conc1C1CC1 ZINC001575009840 950798245 /nfs/dbraw/zinc/79/82/45/950798245.db2.gz XNJOKLVZYBWVTN-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1conc1C1CC1 ZINC001575009840 950798266 /nfs/dbraw/zinc/79/82/66/950798266.db2.gz XNJOKLVZYBWVTN-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCCCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765948 950800975 /nfs/dbraw/zinc/80/09/75/950800975.db2.gz GTNYRIVBDRXNLY-CYBMUJFWSA-N -1 3 388.476 0.648 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765948 950801002 /nfs/dbraw/zinc/80/10/02/950801002.db2.gz GTNYRIVBDRXNLY-CYBMUJFWSA-N -1 3 388.476 0.648 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576219129 950802910 /nfs/dbraw/zinc/80/29/10/950802910.db2.gz SOQDAQDPHVDUIS-BMIGLBTASA-N -1 3 382.432 0.298 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765896 950803129 /nfs/dbraw/zinc/80/31/29/950803129.db2.gz FTWBHXNBBXPALR-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765896 950803152 /nfs/dbraw/zinc/80/31/52/950803152.db2.gz FTWBHXNBBXPALR-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC1(C)CC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575632811 950803528 /nfs/dbraw/zinc/80/35/28/950803528.db2.gz NJBGWRBNSFDEEA-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575632811 950803546 /nfs/dbraw/zinc/80/35/46/950803546.db2.gz NJBGWRBNSFDEEA-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576219136 950804532 /nfs/dbraw/zinc/80/45/32/950804532.db2.gz SOQDAQDPHVDUIS-BONVTDFDSA-N -1 3 382.432 0.298 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575632830 950806759 /nfs/dbraw/zinc/80/67/59/950806759.db2.gz OAJYIFNFMUCDTD-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575632830 950806781 /nfs/dbraw/zinc/80/67/81/950806781.db2.gz OAJYIFNFMUCDTD-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccn(C)n1 ZINC001574523173 950807940 /nfs/dbraw/zinc/80/79/40/950807940.db2.gz MPQCNVABQSQKNS-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccn(C)n1 ZINC001574523173 950807959 /nfs/dbraw/zinc/80/79/59/950807959.db2.gz MPQCNVABQSQKNS-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1(O)CCC1 ZINC001574523206 950808270 /nfs/dbraw/zinc/80/82/70/950808270.db2.gz MUTSTISIWHMRRH-QWRGUYRKSA-N -1 3 375.433 0.513 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1(O)CCC1 ZINC001574523206 950808291 /nfs/dbraw/zinc/80/82/91/950808291.db2.gz MUTSTISIWHMRRH-QWRGUYRKSA-N -1 3 375.433 0.513 20 0 GCADHM CC(C)(C)c1cnc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001573885161 950814598 /nfs/dbraw/zinc/81/45/98/950814598.db2.gz UTIROCBPZOBBNL-NSHDSACASA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cnc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001573885161 950814624 /nfs/dbraw/zinc/81/46/24/950814624.db2.gz UTIROCBPZOBBNL-NSHDSACASA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573885109 950817846 /nfs/dbraw/zinc/81/78/46/950817846.db2.gz PHHWQLNSVUBKPV-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573885109 950817871 /nfs/dbraw/zinc/81/78/71/950817871.db2.gz PHHWQLNSVUBKPV-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC001575010370 950818284 /nfs/dbraw/zinc/81/82/84/950818284.db2.gz FDJVHMAAHBEYCK-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC001575010370 950818303 /nfs/dbraw/zinc/81/83/03/950818303.db2.gz FDJVHMAAHBEYCK-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001575010328 950819616 /nfs/dbraw/zinc/81/96/16/950819616.db2.gz DECPYMUPORQQTE-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001575010592 950824906 /nfs/dbraw/zinc/82/49/06/950824906.db2.gz GBCNNRGBJZYTOI-SNVBAGLBSA-N -1 3 385.432 0.141 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001575010592 950824932 /nfs/dbraw/zinc/82/49/32/950824932.db2.gz GBCNNRGBJZYTOI-SNVBAGLBSA-N -1 3 385.432 0.141 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573885512 950827366 /nfs/dbraw/zinc/82/73/66/950827366.db2.gz YFOLGPSPJAJWBN-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573885512 950827389 /nfs/dbraw/zinc/82/73/89/950827389.db2.gz YFOLGPSPJAJWBN-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)cn3)nc2C1 ZINC001576220273 950830346 /nfs/dbraw/zinc/83/03/46/950830346.db2.gz WWUSAJXFWJMTHV-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)cn3)nc2C1 ZINC001576220273 950830370 /nfs/dbraw/zinc/83/03/70/950830370.db2.gz WWUSAJXFWJMTHV-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)co1 ZINC001573885805 950832384 /nfs/dbraw/zinc/83/23/84/950832384.db2.gz UURWHRKWMFDBGF-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)co1 ZINC001573885805 950832405 /nfs/dbraw/zinc/83/24/05/950832405.db2.gz UURWHRKWMFDBGF-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574187800 950841287 /nfs/dbraw/zinc/84/12/87/950841287.db2.gz QHXFSCPQNOSZDN-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574187800 950841312 /nfs/dbraw/zinc/84/13/12/950841312.db2.gz QHXFSCPQNOSZDN-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)c1nsc(NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001573887464 950841743 /nfs/dbraw/zinc/84/17/43/950841743.db2.gz BZTCEUIPAVXHJU-QMMMGPOBSA-N -1 3 391.461 0.547 20 0 GCADHM CC(C)(C)c1nsc(NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001573887464 950841766 /nfs/dbraw/zinc/84/17/66/950841766.db2.gz BZTCEUIPAVXHJU-QMMMGPOBSA-N -1 3 391.461 0.547 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001574188638 950853682 /nfs/dbraw/zinc/85/36/82/950853682.db2.gz YBULJXZATHDBTA-UKRRQHHQSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001574188638 950853703 /nfs/dbraw/zinc/85/37/03/950853703.db2.gz YBULJXZATHDBTA-UKRRQHHQSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nn(C)cc1Cl ZINC001575011393 950854464 /nfs/dbraw/zinc/85/44/64/950854464.db2.gz PGPNMGIIEJAPFH-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nn(C)cc1Cl ZINC001575011393 950854489 /nfs/dbraw/zinc/85/44/89/950854489.db2.gz PGPNMGIIEJAPFH-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CN(C)[C@@H](C)c1nnnn1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767510 950855167 /nfs/dbraw/zinc/85/51/67/950855167.db2.gz PEXRGRBOROPFBG-ZJUUUORDSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CN(C)[C@@H](C)c1nnnn1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767510 950855184 /nfs/dbraw/zinc/85/51/84/950855184.db2.gz PEXRGRBOROPFBG-ZJUUUORDSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC1CC1 ZINC001574524376 950856266 /nfs/dbraw/zinc/85/62/66/950856266.db2.gz VZUTYEVHVZMFJR-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC1CC1 ZINC001574524376 950856284 /nfs/dbraw/zinc/85/62/84/950856284.db2.gz VZUTYEVHVZMFJR-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001574188639 950856540 /nfs/dbraw/zinc/85/65/40/950856540.db2.gz YBULJXZATHDBTA-ZFWWWQNUSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001574188639 950856561 /nfs/dbraw/zinc/85/65/61/950856561.db2.gz YBULJXZATHDBTA-ZFWWWQNUSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767580 950857851 /nfs/dbraw/zinc/85/78/51/950857851.db2.gz RWXDXSZVIARBFL-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767580 950857874 /nfs/dbraw/zinc/85/78/74/950857874.db2.gz RWXDXSZVIARBFL-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCC[C@H]1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767654 950864051 /nfs/dbraw/zinc/86/40/51/950864051.db2.gz PMODMPNNJPDVIH-QWHCGFSZSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nsc(N(C)C)n1 ZINC001575011900 950864312 /nfs/dbraw/zinc/86/43/12/950864312.db2.gz TYYLOUAXGDEXKK-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nsc(N(C)C)n1 ZINC001575011900 950864329 /nfs/dbraw/zinc/86/43/29/950864329.db2.gz TYYLOUAXGDEXKK-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nnnn1C(C)(C)C ZINC001575011802 950868212 /nfs/dbraw/zinc/86/82/12/950868212.db2.gz SNTACEVTCXKTCO-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nnnn1C(C)(C)C ZINC001575011802 950868228 /nfs/dbraw/zinc/86/82/28/950868228.db2.gz SNTACEVTCXKTCO-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573888607 950869906 /nfs/dbraw/zinc/86/99/06/950869906.db2.gz XDJPDMWMJACCNU-XYPYZODXSA-N -1 3 385.432 0.926 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573888607 950869920 /nfs/dbraw/zinc/86/99/20/950869920.db2.gz XDJPDMWMJACCNU-XYPYZODXSA-N -1 3 385.432 0.926 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001575011952 950875045 /nfs/dbraw/zinc/87/50/45/950875045.db2.gz UJORQRLXAOQDRD-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001575011952 950875060 /nfs/dbraw/zinc/87/50/60/950875060.db2.gz UJORQRLXAOQDRD-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575012156 950877358 /nfs/dbraw/zinc/87/73/58/950877358.db2.gz XJFKJKQQFHYQKJ-OXJKWZBOSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575012156 950877379 /nfs/dbraw/zinc/87/73/79/950877379.db2.gz XJFKJKQQFHYQKJ-OXJKWZBOSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C(C)(C)c1cccnc1 ZINC001575012113 950878817 /nfs/dbraw/zinc/87/88/17/950878817.db2.gz WSBLKTYJSORZAN-LLVKDONJSA-N -1 3 382.428 0.802 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)c1cccnc1 ZINC001575012113 950878831 /nfs/dbraw/zinc/87/88/31/950878831.db2.gz WSBLKTYJSORZAN-LLVKDONJSA-N -1 3 382.428 0.802 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1cncn1C ZINC001575935475 950882452 /nfs/dbraw/zinc/88/24/52/950882452.db2.gz WYQPKJURBOSKTE-QMTHXVAHSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1cncn1C ZINC001575935475 950882471 /nfs/dbraw/zinc/88/24/71/950882471.db2.gz WYQPKJURBOSKTE-QMTHXVAHSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nc(C2CC2)nn1C ZINC001575012291 950882821 /nfs/dbraw/zinc/88/28/21/950882821.db2.gz YEXZVMPDCQLGFF-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nc(C2CC2)nn1C ZINC001575012291 950882837 /nfs/dbraw/zinc/88/28/37/950882837.db2.gz YEXZVMPDCQLGFF-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576226498 950884073 /nfs/dbraw/zinc/88/40/73/950884073.db2.gz BWWGSQGYFPMKEM-BXUZGUMPSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576226498 950884083 /nfs/dbraw/zinc/88/40/83/950884083.db2.gz BWWGSQGYFPMKEM-BXUZGUMPSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H](CN(C)CC(=O)Nc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574768280 950887072 /nfs/dbraw/zinc/88/70/72/950887072.db2.gz SUEYZKMEHWJPBR-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@@H](CN(C)CC(=O)Nc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768280 950887091 /nfs/dbraw/zinc/88/70/91/950887091.db2.gz SUEYZKMEHWJPBR-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOCC1 ZINC001575935698 950887426 /nfs/dbraw/zinc/88/74/26/950887426.db2.gz AGIUJFZMGPKADK-HIFRSBDPSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935698 950887439 /nfs/dbraw/zinc/88/74/39/950887439.db2.gz AGIUJFZMGPKADK-HIFRSBDPSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)(CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573893506 950887685 /nfs/dbraw/zinc/88/76/85/950887685.db2.gz JDFSPQQCHQAVMN-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573893506 950887696 /nfs/dbraw/zinc/88/76/96/950887696.db2.gz JDFSPQQCHQAVMN-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cnnn1C ZINC001575935590 950887980 /nfs/dbraw/zinc/88/79/80/950887980.db2.gz YHAUTRKFDZOKAM-GZMMTYOYSA-N -1 3 388.823 0.759 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cnnn1C ZINC001575935590 950887994 /nfs/dbraw/zinc/88/79/94/950887994.db2.gz YHAUTRKFDZOKAM-GZMMTYOYSA-N -1 3 388.823 0.759 20 0 GCADHM C[C@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576226758 950889674 /nfs/dbraw/zinc/88/96/74/950889674.db2.gz ANQDBYYSUMLCMI-GXFFZTMASA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576226758 950889689 /nfs/dbraw/zinc/88/96/89/950889689.db2.gz ANQDBYYSUMLCMI-GXFFZTMASA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575935709 950891884 /nfs/dbraw/zinc/89/18/84/950891884.db2.gz AORHFHFFYZNTDG-BXUZGUMPSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575935709 950891896 /nfs/dbraw/zinc/89/18/96/950891896.db2.gz AORHFHFFYZNTDG-BXUZGUMPSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1csc(=O)[nH]1 ZINC001574527581 950897136 /nfs/dbraw/zinc/89/71/36/950897136.db2.gz DQQOSWNVKLTQQN-JGVFFNPUSA-N -1 3 390.429 0.684 20 0 GCADHM CC(C)(CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573893724 950899079 /nfs/dbraw/zinc/89/90/79/950899079.db2.gz SYJDTUKLSHOGPT-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573893724 950899098 /nfs/dbraw/zinc/89/90/98/950899098.db2.gz SYJDTUKLSHOGPT-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001573893675 950899373 /nfs/dbraw/zinc/89/93/73/950899373.db2.gz QWYYVYSZOBQIGE-SNVBAGLBSA-N -1 3 383.420 0.330 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001573893675 950899390 /nfs/dbraw/zinc/89/93/90/950899390.db2.gz QWYYVYSZOBQIGE-SNVBAGLBSA-N -1 3 383.420 0.330 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893796 950902543 /nfs/dbraw/zinc/90/25/43/950902543.db2.gz WUWRONVPIKDHJG-HAQNSBGRSA-N -1 3 382.432 0.981 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893796 950902552 /nfs/dbraw/zinc/90/25/52/950902552.db2.gz WUWRONVPIKDHJG-HAQNSBGRSA-N -1 3 382.432 0.981 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCC1CCOCC1 ZINC001575014472 950902631 /nfs/dbraw/zinc/90/26/31/950902631.db2.gz GFDKBPXMBNEOFE-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCC1CCOCC1 ZINC001575014472 950902650 /nfs/dbraw/zinc/90/26/50/950902650.db2.gz GFDKBPXMBNEOFE-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NC2CN(Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001573893766 950904161 /nfs/dbraw/zinc/90/41/61/950904161.db2.gz VMTRHADYIPMBII-UHFFFAOYSA-N -1 3 381.444 0.827 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NC2CN(Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001573893766 950904173 /nfs/dbraw/zinc/90/41/73/950904173.db2.gz VMTRHADYIPMBII-UHFFFAOYSA-N -1 3 381.444 0.827 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001573893886 950908251 /nfs/dbraw/zinc/90/82/51/950908251.db2.gz AJJLNQUZUNRUQN-NSHDSACASA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001573893886 950908264 /nfs/dbraw/zinc/90/82/64/950908264.db2.gz AJJLNQUZUNRUQN-NSHDSACASA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001573893876 950909853 /nfs/dbraw/zinc/90/98/53/950909853.db2.gz AECUNIZSCSJVMA-LBPRGKRZSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001573893876 950909873 /nfs/dbraw/zinc/90/98/73/950909873.db2.gz AECUNIZSCSJVMA-LBPRGKRZSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)c1nccnc1N ZINC001574771303 950911595 /nfs/dbraw/zinc/91/15/95/950911595.db2.gz AHYKSISMWAAZJJ-JTQLQIEISA-N -1 3 385.407 0.628 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)n1 ZINC001573893951 950913488 /nfs/dbraw/zinc/91/34/88/950913488.db2.gz DZGPNENSMXKZGY-NSHDSACASA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)n1 ZINC001573893951 950913498 /nfs/dbraw/zinc/91/34/98/950913498.db2.gz DZGPNENSMXKZGY-NSHDSACASA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001573893959 950914147 /nfs/dbraw/zinc/91/41/47/950914147.db2.gz FOGQQJNZSWQJDD-LBPRGKRZSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001573893959 950914161 /nfs/dbraw/zinc/91/41/61/950914161.db2.gz FOGQQJNZSWQJDD-LBPRGKRZSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2cc(-c3nnn[n-]3)ccc2F)c(=O)[nH]c1=O ZINC001573894651 950930919 /nfs/dbraw/zinc/93/09/19/950930919.db2.gz WCKXZUCBLUGWFH-UHFFFAOYSA-N -1 3 387.375 0.953 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2cc(-c3nn[n-]n3)ccc2F)c(=O)[nH]c1=O ZINC001573894651 950930933 /nfs/dbraw/zinc/93/09/33/950930933.db2.gz WCKXZUCBLUGWFH-UHFFFAOYSA-N -1 3 387.375 0.953 20 0 GCADHM CC(C)(C)n1cc(CN[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001573894658 950931224 /nfs/dbraw/zinc/93/12/24/950931224.db2.gz WOGXTSAQFZCMQX-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001573894658 950931239 /nfs/dbraw/zinc/93/12/39/950931239.db2.gz WOGXTSAQFZCMQX-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CO1 ZINC001575936912 950933692 /nfs/dbraw/zinc/93/36/92/950933692.db2.gz AQQHZOKTYSZXET-YPMHNXCESA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CO1 ZINC001575936912 950933712 /nfs/dbraw/zinc/93/37/12/950933712.db2.gz AQQHZOKTYSZXET-YPMHNXCESA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575937136 950935635 /nfs/dbraw/zinc/93/56/35/950935635.db2.gz CLKNCWUHDVVKRH-RYUDHWBXSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575937136 950935655 /nfs/dbraw/zinc/93/56/55/950935655.db2.gz CLKNCWUHDVVKRH-RYUDHWBXSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1csc(=O)[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574528558 950936372 /nfs/dbraw/zinc/93/63/72/950936372.db2.gz NDHIKQZQSYHULA-SFYZADRCSA-N -1 3 390.429 0.684 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1csc(=O)[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574528558 950936385 /nfs/dbraw/zinc/93/63/85/950936385.db2.gz NDHIKQZQSYHULA-SFYZADRCSA-N -1 3 390.429 0.684 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575937152 950936927 /nfs/dbraw/zinc/93/69/27/950936927.db2.gz JJWQGOYWKFVZLK-KOLCDFICSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575937152 950936944 /nfs/dbraw/zinc/93/69/44/950936944.db2.gz JJWQGOYWKFVZLK-KOLCDFICSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001575015529 950939214 /nfs/dbraw/zinc/93/92/14/950939214.db2.gz SFPBNTNCBXDMIQ-ZCFIWIBFSA-N -1 3 379.331 0.404 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001575015529 950939223 /nfs/dbraw/zinc/93/92/23/950939223.db2.gz SFPBNTNCBXDMIQ-ZCFIWIBFSA-N -1 3 379.331 0.404 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cn(C)nc1Cl ZINC001575015491 950939850 /nfs/dbraw/zinc/93/98/50/950939850.db2.gz RLRLCHKWHFJABC-QMMMGPOBSA-N -1 3 391.823 0.059 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cn(C)nc1Cl ZINC001575015491 950939871 /nfs/dbraw/zinc/93/98/71/950939871.db2.gz RLRLCHKWHFJABC-QMMMGPOBSA-N -1 3 391.823 0.059 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(N(C)C)nc1 ZINC001575015492 950940645 /nfs/dbraw/zinc/94/06/45/950940645.db2.gz RLWQBDNIAHFHKL-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(N(C)C)nc1 ZINC001575015492 950940666 /nfs/dbraw/zinc/94/06/66/950940666.db2.gz RLWQBDNIAHFHKL-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM CC(C)(CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573895817 950941221 /nfs/dbraw/zinc/94/12/21/950941221.db2.gz FAAQOHHEYOHAIK-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573895817 950941239 /nfs/dbraw/zinc/94/12/39/950941239.db2.gz FAAQOHHEYOHAIK-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCCCO1 ZINC001575015715 950943351 /nfs/dbraw/zinc/94/33/51/950943351.db2.gz VKYRETSJTQMHMK-VXGBXAGGSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCCCO1 ZINC001575015715 950943370 /nfs/dbraw/zinc/94/33/70/950943370.db2.gz VKYRETSJTQMHMK-VXGBXAGGSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575937366 950944598 /nfs/dbraw/zinc/94/45/98/950944598.db2.gz DYNGZWIWMYYDSX-STQMWFEESA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575937366 950944605 /nfs/dbraw/zinc/94/46/05/950944605.db2.gz DYNGZWIWMYYDSX-STQMWFEESA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575015757 950948561 /nfs/dbraw/zinc/94/85/61/950948561.db2.gz WESOOISNTSDJHF-NXEZZACHSA-N -1 3 383.416 0.273 20 0 GCADHM CC(C)CCCC(=O)NCCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574193813 950949401 /nfs/dbraw/zinc/94/94/01/950949401.db2.gz TYPWEBAZWYRZMQ-UHFFFAOYSA-N -1 3 387.492 0.721 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CO1 ZINC001575937565 950949546 /nfs/dbraw/zinc/94/95/46/950949546.db2.gz GEKXKTGZNRHIHX-VXGBXAGGSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CO1 ZINC001575937565 950949557 /nfs/dbraw/zinc/94/95/57/950949557.db2.gz GEKXKTGZNRHIHX-VXGBXAGGSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCCn1cncn1 ZINC001575937608 950950306 /nfs/dbraw/zinc/95/03/06/950950306.db2.gz KXDOWAGQTVELPQ-TZMCWYRMSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCCn1cncn1 ZINC001575937608 950950326 /nfs/dbraw/zinc/95/03/26/950950326.db2.gz KXDOWAGQTVELPQ-TZMCWYRMSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001575015754 950950261 /nfs/dbraw/zinc/95/02/61/950950261.db2.gz WESFFROJZITAIR-MEBBXXQBSA-N -1 3 381.396 0.433 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001575015754 950950280 /nfs/dbraw/zinc/95/02/80/950950280.db2.gz WESFFROJZITAIR-MEBBXXQBSA-N -1 3 381.396 0.433 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccn(C)n1 ZINC001574529877 950966406 /nfs/dbraw/zinc/96/64/06/950966406.db2.gz BBAGAJKRSJLCEC-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccn(C)n1 ZINC001574529877 950966423 /nfs/dbraw/zinc/96/64/23/950966423.db2.gz BBAGAJKRSJLCEC-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccn(C)n1 ZINC001574529876 950966881 /nfs/dbraw/zinc/96/68/81/950966881.db2.gz BBAGAJKRSJLCEC-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccn(C)n1 ZINC001574529876 950966893 /nfs/dbraw/zinc/96/68/93/950966893.db2.gz BBAGAJKRSJLCEC-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCS(C)(=O)=O ZINC001575938079 950969996 /nfs/dbraw/zinc/96/99/96/950969996.db2.gz MOIZHBDUWIFIPA-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575938079 950970013 /nfs/dbraw/zinc/97/00/13/950970013.db2.gz MOIZHBDUWIFIPA-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575643893 950980129 /nfs/dbraw/zinc/98/01/29/950980129.db2.gz QLURRQDBZJODRD-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575643893 950980144 /nfs/dbraw/zinc/98/01/44/950980144.db2.gz QLURRQDBZJODRD-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575643896 950980815 /nfs/dbraw/zinc/98/08/15/950980815.db2.gz QLURRQDBZJODRD-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575643896 950980832 /nfs/dbraw/zinc/98/08/32/950980832.db2.gz QLURRQDBZJODRD-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2 ZINC001575644321 950984040 /nfs/dbraw/zinc/98/40/40/950984040.db2.gz SLFZNYPCSIREIW-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001575644321 950984053 /nfs/dbraw/zinc/98/40/53/950984053.db2.gz SLFZNYPCSIREIW-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1=COCCO1 ZINC001574530624 950988487 /nfs/dbraw/zinc/98/84/87/950988487.db2.gz CPHJYQNAVCXSIH-VHSXEESVSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1=COCCO1 ZINC001574530624 950988499 /nfs/dbraw/zinc/98/84/99/950988499.db2.gz CPHJYQNAVCXSIH-VHSXEESVSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575938540 950988344 /nfs/dbraw/zinc/98/83/44/950988344.db2.gz LMIJYXOKRGYOFE-VXGBXAGGSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575938540 950988364 /nfs/dbraw/zinc/98/83/64/950988364.db2.gz LMIJYXOKRGYOFE-VXGBXAGGSA-N -1 3 375.433 0.540 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C1CC1 ZINC001573899828 950988401 /nfs/dbraw/zinc/98/84/01/950988401.db2.gz KQESHWBHWFMINC-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C1CC1 ZINC001573899828 950988418 /nfs/dbraw/zinc/98/84/18/950988418.db2.gz KQESHWBHWFMINC-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575938682 950990576 /nfs/dbraw/zinc/99/05/76/950990576.db2.gz MNFVPHAEBBEUIX-STQMWFEESA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575938682 950990593 /nfs/dbraw/zinc/99/05/93/950990593.db2.gz MNFVPHAEBBEUIX-STQMWFEESA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CO1 ZINC001575938668 950990618 /nfs/dbraw/zinc/99/06/18/950990618.db2.gz MMQQDBIXCABRFW-WCQYABFASA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CO1 ZINC001575938668 950990630 /nfs/dbraw/zinc/99/06/30/950990630.db2.gz MMQQDBIXCABRFW-WCQYABFASA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@H]1CO[C@@H](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575938920 950998032 /nfs/dbraw/zinc/99/80/32/950998032.db2.gz NSKDDFBMURJOOC-GXTWGEPZSA-N -1 3 389.460 0.929 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@H]1CO[C@@H](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575938920 950998045 /nfs/dbraw/zinc/99/80/45/950998045.db2.gz NSKDDFBMURJOOC-GXTWGEPZSA-N -1 3 389.460 0.929 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1n[nH]cc1F ZINC001574530827 951000856 /nfs/dbraw/zinc/00/08/56/951000856.db2.gz XOPGWQOLOKEFHI-JGVFFNPUSA-N -1 3 375.368 0.384 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575017632 951006585 /nfs/dbraw/zinc/00/65/85/951006585.db2.gz IEFNWUWENDYUSA-SECBINFHSA-N -1 3 388.819 0.844 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575017632 951006601 /nfs/dbraw/zinc/00/66/01/951006601.db2.gz IEFNWUWENDYUSA-SECBINFHSA-N -1 3 388.819 0.844 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575646652 951007193 /nfs/dbraw/zinc/00/71/93/951007193.db2.gz BXXOLQNKTLWMSM-XIKOKIGWSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575646652 951007216 /nfs/dbraw/zinc/00/72/16/951007216.db2.gz BXXOLQNKTLWMSM-XIKOKIGWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn2c1CCCC2 ZINC001575017698 951007434 /nfs/dbraw/zinc/00/74/34/951007434.db2.gz MRMXFEQITXKNSS-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn2c1CCCC2 ZINC001575017698 951007453 /nfs/dbraw/zinc/00/74/53/951007453.db2.gz MRMXFEQITXKNSS-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nsc(N(C)C)n1 ZINC001575017729 951009800 /nfs/dbraw/zinc/00/98/00/951009800.db2.gz MVIDKVWETUSZIY-QMMMGPOBSA-N -1 3 376.450 0.020 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nsc(N(C)C)n1 ZINC001575017729 951009816 /nfs/dbraw/zinc/00/98/16/951009816.db2.gz MVIDKVWETUSZIY-QMMMGPOBSA-N -1 3 376.450 0.020 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575018210 951017455 /nfs/dbraw/zinc/01/74/55/951017455.db2.gz MKWDHXXSXDNPCS-QMMMGPOBSA-N -1 3 389.807 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575018210 951017472 /nfs/dbraw/zinc/01/74/72/951017472.db2.gz MKWDHXXSXDNPCS-QMMMGPOBSA-N -1 3 389.807 0.665 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnnc2ccccc21 ZINC001575018893 951027035 /nfs/dbraw/zinc/02/70/35/951027035.db2.gz RJYWVRKBEGSQBE-SNVBAGLBSA-N -1 3 391.395 0.686 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnnc2ccccc21 ZINC001575018893 951027053 /nfs/dbraw/zinc/02/70/53/951027053.db2.gz RJYWVRKBEGSQBE-SNVBAGLBSA-N -1 3 391.395 0.686 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575021097 951061420 /nfs/dbraw/zinc/06/14/20/951061420.db2.gz AVUJTEMNDQSHJW-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575021097 951061434 /nfs/dbraw/zinc/06/14/34/951061434.db2.gz AVUJTEMNDQSHJW-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575024249 951096490 /nfs/dbraw/zinc/09/64/90/951096490.db2.gz YXNZWWVRIKSISC-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575024249 951096506 /nfs/dbraw/zinc/09/65/06/951096506.db2.gz YXNZWWVRIKSISC-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575027187 951155240 /nfs/dbraw/zinc/15/52/40/951155240.db2.gz CYEAPNNERJHSIN-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575027187 951155250 /nfs/dbraw/zinc/15/52/50/951155250.db2.gz CYEAPNNERJHSIN-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2nccn21)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575028534 951173899 /nfs/dbraw/zinc/17/38/99/951173899.db2.gz NSNIIZQDBMANBS-LLVKDONJSA-N -1 3 378.400 0.782 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ncccc1-c1nnn[n-]1 ZINC001575028967 951179686 /nfs/dbraw/zinc/17/96/86/951179686.db2.gz QOMSAWIBXLWHMR-JTQLQIEISA-N -1 3 381.400 0.983 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ncccc1-c1nn[n-]n1 ZINC001575028967 951179691 /nfs/dbraw/zinc/17/96/91/951179691.db2.gz QOMSAWIBXLWHMR-JTQLQIEISA-N -1 3 381.400 0.983 20 0 GCADHM C[C@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ncccc1-c1nnn[n-]1 ZINC001575028969 951179735 /nfs/dbraw/zinc/17/97/35/951179735.db2.gz QOMSAWIBXLWHMR-SNVBAGLBSA-N -1 3 381.400 0.983 20 0 GCADHM C[C@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ncccc1-c1nn[n-]n1 ZINC001575028969 951179745 /nfs/dbraw/zinc/17/97/45/951179745.db2.gz QOMSAWIBXLWHMR-SNVBAGLBSA-N -1 3 381.400 0.983 20 0 GCADHM C[C@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575029693 951189958 /nfs/dbraw/zinc/18/99/58/951189958.db2.gz WVCBVGYAHDTLBG-SNVBAGLBSA-N -1 3 381.400 0.983 20 0 GCADHM C[C@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575029693 951189963 /nfs/dbraw/zinc/18/99/63/951189963.db2.gz WVCBVGYAHDTLBG-SNVBAGLBSA-N -1 3 381.400 0.983 20 0 GCADHM C[C@](CNC(=O)c1cccnn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575032046 951211765 /nfs/dbraw/zinc/21/17/65/951211765.db2.gz OYSNRTVWCUVHAE-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cccnn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575032046 951211773 /nfs/dbraw/zinc/21/17/73/951211773.db2.gz OYSNRTVWCUVHAE-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575031991 951212145 /nfs/dbraw/zinc/21/21/45/951212145.db2.gz NPTMFNUCDWMGPU-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575031991 951212156 /nfs/dbraw/zinc/21/21/56/951212156.db2.gz NPTMFNUCDWMGPU-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)CNc1ncccc1-c1nnn[n-]1 ZINC001575032199 951218379 /nfs/dbraw/zinc/21/83/79/951218379.db2.gz TUNJBTHNURYETR-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)CNc1ncccc1-c1nn[n-]n1 ZINC001575032199 951218386 /nfs/dbraw/zinc/21/83/86/951218386.db2.gz TUNJBTHNURYETR-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@](CNC(=O)c1cccnn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575032295 951222624 /nfs/dbraw/zinc/22/26/24/951222624.db2.gz WMXHZFPCAIUFQQ-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cccnn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575032295 951222628 /nfs/dbraw/zinc/22/26/28/951222628.db2.gz WMXHZFPCAIUFQQ-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CNC(=O)c1ccnc2c1ncn2C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575033755 951225686 /nfs/dbraw/zinc/22/56/86/951225686.db2.gz AAKSZCQUXZDJCJ-SNVBAGLBSA-N -1 3 378.400 0.774 20 0 GCADHM C[C@H](CNC(=O)c1ccnc2c1ncn2C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575033755 951225696 /nfs/dbraw/zinc/22/56/96/951225696.db2.gz AAKSZCQUXZDJCJ-SNVBAGLBSA-N -1 3 378.400 0.774 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575034027 951237207 /nfs/dbraw/zinc/23/72/07/951237207.db2.gz HKYIZBBHBLVMMN-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575034027 951237218 /nfs/dbraw/zinc/23/72/18/951237218.db2.gz HKYIZBBHBLVMMN-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575034886 951260477 /nfs/dbraw/zinc/26/04/77/951260477.db2.gz PZMKNSADFQNJRQ-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575034886 951260490 /nfs/dbraw/zinc/26/04/90/951260490.db2.gz PZMKNSADFQNJRQ-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@](CNC(=O)c1ccnnc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575034995 951263585 /nfs/dbraw/zinc/26/35/85/951263585.db2.gz RTYCYQCMYJCCOW-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ccnnc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575034995 951263599 /nfs/dbraw/zinc/26/35/99/951263599.db2.gz RTYCYQCMYJCCOW-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575035108 951268290 /nfs/dbraw/zinc/26/82/90/951268290.db2.gz GGNWLRYBAVMDIH-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575035108 951268305 /nfs/dbraw/zinc/26/83/05/951268305.db2.gz GGNWLRYBAVMDIH-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575039160 951329332 /nfs/dbraw/zinc/32/93/32/951329332.db2.gz OBYQYEPICFWLBQ-JTQLQIEISA-N -1 3 384.400 0.361 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575039160 951329346 /nfs/dbraw/zinc/32/93/46/951329346.db2.gz OBYQYEPICFWLBQ-JTQLQIEISA-N -1 3 384.400 0.361 20 0 GCADHM CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001602868477 971736516 /nfs/dbraw/zinc/73/65/16/971736516.db2.gz KVLJIHSVTUJZKF-DZGCQCFKSA-N -1 3 380.489 0.966 20 0 GCADHM CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001602868478 971736839 /nfs/dbraw/zinc/73/68/39/971736839.db2.gz KVLJIHSVTUJZKF-HIFRSBDPSA-N -1 3 380.489 0.966 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575041942 951351788 /nfs/dbraw/zinc/35/17/88/951351788.db2.gz DIRNKFDTUCSFBR-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575041942 951351797 /nfs/dbraw/zinc/35/17/97/951351797.db2.gz DIRNKFDTUCSFBR-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575042912 951374181 /nfs/dbraw/zinc/37/41/81/951374181.db2.gz DDFDRIIPIAVMGR-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575042912 951374199 /nfs/dbraw/zinc/37/41/99/951374199.db2.gz DDFDRIIPIAVMGR-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575043237 951383439 /nfs/dbraw/zinc/38/34/39/951383439.db2.gz HDOHROJFCWCPKL-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575043237 951383449 /nfs/dbraw/zinc/38/34/49/951383449.db2.gz HDOHROJFCWCPKL-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575043978 951406232 /nfs/dbraw/zinc/40/62/32/951406232.db2.gz XLZQBFRVYFUWDN-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575043978 951406240 /nfs/dbraw/zinc/40/62/40/951406240.db2.gz XLZQBFRVYFUWDN-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575044363 951412582 /nfs/dbraw/zinc/41/25/82/951412582.db2.gz RLQOZSYSKIWIHX-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575044363 951412589 /nfs/dbraw/zinc/41/25/89/951412589.db2.gz RLQOZSYSKIWIHX-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575044360 951414023 /nfs/dbraw/zinc/41/40/23/951414023.db2.gz ZEXXRQSYMFUGPZ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575044360 951414030 /nfs/dbraw/zinc/41/40/30/951414030.db2.gz ZEXXRQSYMFUGPZ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCC2)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575044540 951415064 /nfs/dbraw/zinc/41/50/64/951415064.db2.gz SFHKUXSIHLEAFU-SNVBAGLBSA-N -1 3 385.407 0.798 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCC2)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575044540 951415068 /nfs/dbraw/zinc/41/50/68/951415068.db2.gz SFHKUXSIHLEAFU-SNVBAGLBSA-N -1 3 385.407 0.798 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575044797 951417671 /nfs/dbraw/zinc/41/76/71/951417671.db2.gz VGSBWAXMUBUGLL-NSHDSACASA-N -1 3 382.432 0.372 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575044797 951417675 /nfs/dbraw/zinc/41/76/75/951417675.db2.gz VGSBWAXMUBUGLL-NSHDSACASA-N -1 3 382.432 0.372 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2[nH]cnc2c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575044898 951420107 /nfs/dbraw/zinc/42/01/07/951420107.db2.gz WZDKYHDJRHEFLL-SECBINFHSA-N -1 3 379.388 0.406 20 0 GCADHM C[C@H](CNC(=O)c1cnn(-c2ccncc2)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575052359 951461394 /nfs/dbraw/zinc/46/13/94/951461394.db2.gz HAWGWLAKFIKPNR-LLVKDONJSA-N -1 3 391.399 0.468 20 0 GCADHM C[C@H](CNC(=O)c1cnn(-c2ccncc2)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575052359 951461399 /nfs/dbraw/zinc/46/13/99/951461399.db2.gz HAWGWLAKFIKPNR-LLVKDONJSA-N -1 3 391.399 0.468 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053133 951475056 /nfs/dbraw/zinc/47/50/56/951475056.db2.gz QZBLRVVJWNAVQJ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053133 951475065 /nfs/dbraw/zinc/47/50/65/951475065.db2.gz QZBLRVVJWNAVQJ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001575053640 951480332 /nfs/dbraw/zinc/48/03/32/951480332.db2.gz SQMHREVCOISVLG-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001575053640 951480345 /nfs/dbraw/zinc/48/03/45/951480345.db2.gz SQMHREVCOISVLG-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM C[C@@](CNC(=O)c1cnns1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575053784 951483097 /nfs/dbraw/zinc/48/30/97/951483097.db2.gz DWFOQBAUVNHGAC-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1cnns1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575053784 951483105 /nfs/dbraw/zinc/48/31/05/951483105.db2.gz DWFOQBAUVNHGAC-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575054237 951488718 /nfs/dbraw/zinc/48/87/18/951488718.db2.gz GPUYKSSOUJTYRV-JTQLQIEISA-N -1 3 389.395 0.157 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575054237 951488727 /nfs/dbraw/zinc/48/87/27/951488727.db2.gz GPUYKSSOUJTYRV-JTQLQIEISA-N -1 3 389.395 0.157 20 0 GCADHM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055821 951512729 /nfs/dbraw/zinc/51/27/29/951512729.db2.gz ALUKVSUTPSGCFJ-VIFPVBQESA-N -1 3 384.400 0.684 20 0 GCADHM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055821 951512734 /nfs/dbraw/zinc/51/27/34/951512734.db2.gz ALUKVSUTPSGCFJ-VIFPVBQESA-N -1 3 384.400 0.684 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055935 951514194 /nfs/dbraw/zinc/51/41/94/951514194.db2.gz CRQXCDZZINALBW-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055935 951514204 /nfs/dbraw/zinc/51/42/04/951514204.db2.gz CRQXCDZZINALBW-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1ncccc1-c1nnn[n-]1 ZINC001575056145 951516277 /nfs/dbraw/zinc/51/62/77/951516277.db2.gz FYOIDOGEBCFTAN-VIFPVBQESA-N -1 3 391.413 0.489 20 0 GCADHM C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1ncccc1-c1nn[n-]n1 ZINC001575056145 951516286 /nfs/dbraw/zinc/51/62/86/951516286.db2.gz FYOIDOGEBCFTAN-VIFPVBQESA-N -1 3 391.413 0.489 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575056205 951518493 /nfs/dbraw/zinc/51/84/93/951518493.db2.gz GNFAGBLHPUSUMB-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575056205 951518504 /nfs/dbraw/zinc/51/85/04/951518504.db2.gz GNFAGBLHPUSUMB-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](CNC(=O)c1conc1C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575056639 951521954 /nfs/dbraw/zinc/52/19/54/951521954.db2.gz KETVYSHVZZXOOC-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1conc1C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575056639 951521961 /nfs/dbraw/zinc/52/19/61/951521961.db2.gz KETVYSHVZZXOOC-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C(N)=O)c1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575058854 951534341 /nfs/dbraw/zinc/53/43/41/951534341.db2.gz VYVQGSXPJDQKIB-MRVPVSSYSA-N -1 3 388.363 0.571 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C(N)=O)c1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575058854 951534344 /nfs/dbraw/zinc/53/43/44/951534344.db2.gz VYVQGSXPJDQKIB-MRVPVSSYSA-N -1 3 388.363 0.571 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CC2)n1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575058871 951537208 /nfs/dbraw/zinc/53/72/08/951537208.db2.gz WALZSKRESIPHFD-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CC2)n1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575058871 951537215 /nfs/dbraw/zinc/53/72/15/951537215.db2.gz WALZSKRESIPHFD-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575060874 951550077 /nfs/dbraw/zinc/55/00/77/951550077.db2.gz IOUVCYXELPAELE-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575060874 951550083 /nfs/dbraw/zinc/55/00/83/951550083.db2.gz IOUVCYXELPAELE-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575060950 951553571 /nfs/dbraw/zinc/55/35/71/951553571.db2.gz KHKUSDNXZMBIJR-SNVBAGLBSA-N -1 3 382.432 0.737 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(F)cc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575060990 951556268 /nfs/dbraw/zinc/55/62/68/951556268.db2.gz KRIRBPLPQMOEQK-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(F)cc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575060990 951556274 /nfs/dbraw/zinc/55/62/74/951556274.db2.gz KRIRBPLPQMOEQK-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@](CNC(=O)c1n[nH]cc1F)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575062080 951564310 /nfs/dbraw/zinc/56/43/10/951564310.db2.gz SRNBRIUTDZNKKE-INIZCTEOSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575062162 951565330 /nfs/dbraw/zinc/56/53/30/951565330.db2.gz UTTCASPXUFTCFK-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575062162 951565337 /nfs/dbraw/zinc/56/53/37/951565337.db2.gz UTTCASPXUFTCFK-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575062435 951568392 /nfs/dbraw/zinc/56/83/92/951568392.db2.gz WAYSZPVUUPTBGW-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575062435 951568400 /nfs/dbraw/zinc/56/84/00/951568400.db2.gz WAYSZPVUUPTBGW-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575064684 951575510 /nfs/dbraw/zinc/57/55/10/951575510.db2.gz CHWWRWBCRSDYEB-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575064684 951575518 /nfs/dbraw/zinc/57/55/18/951575518.db2.gz CHWWRWBCRSDYEB-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1nnc2ccccc2n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575064769 951579352 /nfs/dbraw/zinc/57/93/52/951579352.db2.gz DCEJGJRISMOYBO-NSHDSACASA-N -1 3 390.411 0.855 20 0 GCADHM C[C@@H](CNC(=O)c1nnc2ccccc2n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575064769 951579361 /nfs/dbraw/zinc/57/93/61/951579361.db2.gz DCEJGJRISMOYBO-NSHDSACASA-N -1 3 390.411 0.855 20 0 GCADHM C[C@@](CNC(=O)c1ncccn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575065251 951582246 /nfs/dbraw/zinc/58/22/46/951582246.db2.gz AMXBBINLBUOESI-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ncccn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575065251 951582248 /nfs/dbraw/zinc/58/22/48/951582248.db2.gz AMXBBINLBUOESI-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575067240 951606123 /nfs/dbraw/zinc/60/61/23/951606123.db2.gz PBORZBHNRFJYND-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575067240 951606131 /nfs/dbraw/zinc/60/61/31/951606131.db2.gz PBORZBHNRFJYND-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575067310 951608120 /nfs/dbraw/zinc/60/81/20/951608120.db2.gz RCKVRDMYPJQMQT-JTQLQIEISA-N -1 3 384.400 0.577 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575067310 951608129 /nfs/dbraw/zinc/60/81/29/951608129.db2.gz RCKVRDMYPJQMQT-JTQLQIEISA-N -1 3 384.400 0.577 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575067311 951608888 /nfs/dbraw/zinc/60/88/88/951608888.db2.gz RCKVRDMYPJQMQT-SNVBAGLBSA-N -1 3 384.400 0.577 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575067311 951608897 /nfs/dbraw/zinc/60/88/97/951608897.db2.gz RCKVRDMYPJQMQT-SNVBAGLBSA-N -1 3 384.400 0.577 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575067366 951609185 /nfs/dbraw/zinc/60/91/85/951609185.db2.gz LEZKJKYTCSVYIE-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575067366 951609191 /nfs/dbraw/zinc/60/91/91/951609191.db2.gz LEZKJKYTCSVYIE-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575067368 951609567 /nfs/dbraw/zinc/60/95/67/951609567.db2.gz LEZKJKYTCSVYIE-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575067368 951609571 /nfs/dbraw/zinc/60/95/71/951609571.db2.gz LEZKJKYTCSVYIE-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@](CNC(=O)c1ncccn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575067379 951611420 /nfs/dbraw/zinc/61/14/20/951611420.db2.gz LHZPCYFWGRRLHJ-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ncccn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575067379 951611424 /nfs/dbraw/zinc/61/14/24/951611424.db2.gz LHZPCYFWGRRLHJ-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575067804 951623572 /nfs/dbraw/zinc/62/35/72/951623572.db2.gz ZJGBFTYYKBSPPC-JTQLQIEISA-N -1 3 385.436 0.481 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575067804 951623576 /nfs/dbraw/zinc/62/35/76/951623576.db2.gz ZJGBFTYYKBSPPC-JTQLQIEISA-N -1 3 385.436 0.481 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575068264 951632164 /nfs/dbraw/zinc/63/21/64/951632164.db2.gz YXXOTRCCLYQJBU-LLVKDONJSA-N -1 3 384.448 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575068264 951632171 /nfs/dbraw/zinc/63/21/71/951632171.db2.gz YXXOTRCCLYQJBU-LLVKDONJSA-N -1 3 384.448 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575069092 951639645 /nfs/dbraw/zinc/63/96/45/951639645.db2.gz GBNYGOXZYCFKSQ-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575069092 951639653 /nfs/dbraw/zinc/63/96/53/951639653.db2.gz GBNYGOXZYCFKSQ-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575069629 951645396 /nfs/dbraw/zinc/64/53/96/951645396.db2.gz LFABTLBXDPUHPM-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575069629 951645399 /nfs/dbraw/zinc/64/53/99/951645399.db2.gz LFABTLBXDPUHPM-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM C[C@@H](CNC(=O)c1scnc1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575070531 951651751 /nfs/dbraw/zinc/65/17/51/951651751.db2.gz RDULLBSGPDNHEZ-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1scnc1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575070531 951651755 /nfs/dbraw/zinc/65/17/55/951651755.db2.gz RDULLBSGPDNHEZ-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575071263 951657637 /nfs/dbraw/zinc/65/76/37/951657637.db2.gz ZEFQONATMOXIIA-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575071263 951657643 /nfs/dbraw/zinc/65/76/43/951657643.db2.gz ZEFQONATMOXIIA-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl)S(C)(=O)=O ZINC001575116148 951967737 /nfs/dbraw/zinc/96/77/37/951967737.db2.gz ALTNNUYCPDRMGX-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@H](CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl)S(C)(=O)=O ZINC001575116148 951967745 /nfs/dbraw/zinc/96/77/45/951967745.db2.gz ALTNNUYCPDRMGX-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@H](CNCc1nnn(C(C)(C)C)n1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575116233 951968824 /nfs/dbraw/zinc/96/88/24/951968824.db2.gz BLDRYXQLPLPMOX-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNCc1nnn(C(C)(C)C)n1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116233 951968833 /nfs/dbraw/zinc/96/88/33/951968833.db2.gz BLDRYXQLPLPMOX-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNCc1nsc(N(C)C)n1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116298 951971124 /nfs/dbraw/zinc/97/11/24/951971124.db2.gz COEQDINESBDRCP-VIFPVBQESA-N -1 3 390.477 0.268 20 0 GCADHM C[C@@H](CNCc1nsc(N(C)C)n1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575116298 951971131 /nfs/dbraw/zinc/97/11/31/951971131.db2.gz COEQDINESBDRCP-VIFPVBQESA-N -1 3 390.477 0.268 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)NC(=O)OC(C)(C)C ZINC001575116601 951972584 /nfs/dbraw/zinc/97/25/84/951972584.db2.gz FYMQNAOADDJRES-SECBINFHSA-N -1 3 383.434 0.453 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)NC(=O)OC(C)(C)C ZINC001575116601 951972589 /nfs/dbraw/zinc/97/25/89/951972589.db2.gz FYMQNAOADDJRES-SECBINFHSA-N -1 3 383.434 0.453 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)NC(=O)OC(C)(C)C ZINC001575116603 951972783 /nfs/dbraw/zinc/97/27/83/951972783.db2.gz FYMQNAOADDJRES-VIFPVBQESA-N -1 3 383.434 0.453 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)NC(=O)OC(C)(C)C ZINC001575116603 951972788 /nfs/dbraw/zinc/97/27/88/951972788.db2.gz FYMQNAOADDJRES-VIFPVBQESA-N -1 3 383.434 0.453 20 0 GCADHM C[C@H](CNCc1nnsc1Cl)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116767 951973572 /nfs/dbraw/zinc/97/35/72/951973572.db2.gz ICUOQEFNAOVTSQ-SSDOTTSWSA-N -1 3 381.853 0.855 20 0 GCADHM C[C@@H](CNCc1nc(C2CC2)nn1C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575117718 951981889 /nfs/dbraw/zinc/98/18/89/951981889.db2.gz PBZSKEDRZGBGFD-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H](CNCc1nnsc1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575118772 951986167 /nfs/dbraw/zinc/98/61/67/951986167.db2.gz SVCHKQULYNSKQE-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNCc1nnsc1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575118772 951986172 /nfs/dbraw/zinc/98/61/72/951986172.db2.gz SVCHKQULYNSKQE-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNCc1nnnn1C(C)(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575119380 951989542 /nfs/dbraw/zinc/98/95/42/951989542.db2.gz XSNRFUAZEUREFJ-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575121260 951994495 /nfs/dbraw/zinc/99/44/95/951994495.db2.gz DRHCGGVVHGFIQH-NSHDSACASA-N -1 3 381.462 0.345 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575121260 951994503 /nfs/dbraw/zinc/99/45/03/951994503.db2.gz DRHCGGVVHGFIQH-NSHDSACASA-N -1 3 381.462 0.345 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575121784 951997769 /nfs/dbraw/zinc/99/77/69/951997769.db2.gz HNECDZPZSVJLNI-YPMHNXCESA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575121784 951997774 /nfs/dbraw/zinc/99/77/74/951997774.db2.gz HNECDZPZSVJLNI-YPMHNXCESA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575122182 952003227 /nfs/dbraw/zinc/00/32/27/952003227.db2.gz KCRZDHNWACRKHQ-MFKMUULPSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575122182 952003237 /nfs/dbraw/zinc/00/32/37/952003237.db2.gz KCRZDHNWACRKHQ-MFKMUULPSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575122865 952006120 /nfs/dbraw/zinc/00/61/20/952006120.db2.gz AAMNMWKOFPFVCR-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575122865 952006126 /nfs/dbraw/zinc/00/61/26/952006126.db2.gz AAMNMWKOFPFVCR-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575122970 952007673 /nfs/dbraw/zinc/00/76/73/952007673.db2.gz BGFACZNLPZFHGR-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575122970 952007679 /nfs/dbraw/zinc/00/76/79/952007679.db2.gz BGFACZNLPZFHGR-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575123481 952014061 /nfs/dbraw/zinc/01/40/61/952014061.db2.gz DHBUMCJJCANHDM-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575123481 952014071 /nfs/dbraw/zinc/01/40/71/952014071.db2.gz DHBUMCJJCANHDM-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575123422 952014168 /nfs/dbraw/zinc/01/41/68/952014168.db2.gz CZNGSVNPKLPCEV-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575123422 952014179 /nfs/dbraw/zinc/01/41/79/952014179.db2.gz CZNGSVNPKLPCEV-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575123493 952015216 /nfs/dbraw/zinc/01/52/16/952015216.db2.gz DPDPFBCHQMPUOG-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575123493 952015226 /nfs/dbraw/zinc/01/52/26/952015226.db2.gz DPDPFBCHQMPUOG-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575123524 952015360 /nfs/dbraw/zinc/01/53/60/952015360.db2.gz AGESKXHXGRDENY-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575123524 952015370 /nfs/dbraw/zinc/01/53/70/952015370.db2.gz AGESKXHXGRDENY-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CCn1cnccc1=O ZINC001575123625 952017429 /nfs/dbraw/zinc/01/74/29/952017429.db2.gz PUEGHQTWPOQTPV-GFCCVEGCSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CCn1cnccc1=O ZINC001575123625 952017440 /nfs/dbraw/zinc/01/74/40/952017440.db2.gz PUEGHQTWPOQTPV-GFCCVEGCSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575124429 952029347 /nfs/dbraw/zinc/02/93/47/952029347.db2.gz JDRYMFUQHHQZHM-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575124429 952029354 /nfs/dbraw/zinc/02/93/54/952029354.db2.gz JDRYMFUQHHQZHM-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575124615 952033315 /nfs/dbraw/zinc/03/33/15/952033315.db2.gz VJIOVRJHSODWGN-BBATYDOGSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575124615 952033325 /nfs/dbraw/zinc/03/33/25/952033325.db2.gz VJIOVRJHSODWGN-BBATYDOGSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575125162 952041111 /nfs/dbraw/zinc/04/11/11/952041111.db2.gz XVWVWQHJSXTLRI-FZKQIMNGSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575125162 952041117 /nfs/dbraw/zinc/04/11/17/952041117.db2.gz XVWVWQHJSXTLRI-FZKQIMNGSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575125984 952049536 /nfs/dbraw/zinc/04/95/36/952049536.db2.gz QJNDMVZZONQTCX-KRWDZBQOSA-N -1 3 381.400 0.356 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575125984 952049541 /nfs/dbraw/zinc/04/95/41/952049541.db2.gz QJNDMVZZONQTCX-KRWDZBQOSA-N -1 3 381.400 0.356 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575126884 952053893 /nfs/dbraw/zinc/05/38/93/952053893.db2.gz UHIXFHQHQXUGLB-GWCFXTLKSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575126884 952053899 /nfs/dbraw/zinc/05/38/99/952053899.db2.gz UHIXFHQHQXUGLB-GWCFXTLKSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575128169 952064516 /nfs/dbraw/zinc/06/45/16/952064516.db2.gz GDKFHVNSCAGXNN-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575128169 952064529 /nfs/dbraw/zinc/06/45/29/952064529.db2.gz GDKFHVNSCAGXNN-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575128877 952072020 /nfs/dbraw/zinc/07/20/20/952072020.db2.gz NTWRJCUSGOCUHO-QGZVFWFLSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575131739 952088682 /nfs/dbraw/zinc/08/86/82/952088682.db2.gz AWNIMPFRLQRDSX-SSDOTTSWSA-N -1 3 378.347 0.890 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575132813 952098760 /nfs/dbraw/zinc/09/87/60/952098760.db2.gz BKZYLQQRULOCFE-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575132813 952098766 /nfs/dbraw/zinc/09/87/66/952098766.db2.gz BKZYLQQRULOCFE-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575133352 952104425 /nfs/dbraw/zinc/10/44/25/952104425.db2.gz FGFXRTJXWXYQEK-JIMOISOXSA-N -1 3 391.407 0.298 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575133352 952104427 /nfs/dbraw/zinc/10/44/27/952104427.db2.gz FGFXRTJXWXYQEK-JIMOISOXSA-N -1 3 391.407 0.298 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001575134439 952110286 /nfs/dbraw/zinc/11/02/86/952110286.db2.gz IDRSJBOEYWXFRK-RISCZKNCSA-N -1 3 377.424 0.595 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001575134439 952110295 /nfs/dbraw/zinc/11/02/95/952110295.db2.gz IDRSJBOEYWXFRK-RISCZKNCSA-N -1 3 377.424 0.595 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575135223 952116374 /nfs/dbraw/zinc/11/63/74/952116374.db2.gz LHDVPQMAKVORSE-MNOVXSKESA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575135223 952116377 /nfs/dbraw/zinc/11/63/77/952116377.db2.gz LHDVPQMAKVORSE-MNOVXSKESA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575135723 952118570 /nfs/dbraw/zinc/11/85/70/952118570.db2.gz NCFATJUYVDVBDT-INIZCTEOSA-N -1 3 386.395 0.389 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575135723 952118576 /nfs/dbraw/zinc/11/85/76/952118576.db2.gz NCFATJUYVDVBDT-INIZCTEOSA-N -1 3 386.395 0.389 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575137298 952135439 /nfs/dbraw/zinc/13/54/39/952135439.db2.gz WFUSDXJTYJMXPJ-ZWNOBZJWSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575137298 952135443 /nfs/dbraw/zinc/13/54/43/952135443.db2.gz WFUSDXJTYJMXPJ-ZWNOBZJWSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575137418 952138598 /nfs/dbraw/zinc/13/85/98/952138598.db2.gz YPNBFWUTRIHURL-MNOVXSKESA-N -1 3 375.408 0.743 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575137418 952138600 /nfs/dbraw/zinc/13/86/00/952138600.db2.gz YPNBFWUTRIHURL-MNOVXSKESA-N -1 3 375.408 0.743 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575153395 952207835 /nfs/dbraw/zinc/20/78/35/952207835.db2.gz GVXWGQYHNBEAJK-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575153944 952214956 /nfs/dbraw/zinc/21/49/56/952214956.db2.gz MLWQIQCBZMSHAH-QWRGUYRKSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575154533 952225157 /nfs/dbraw/zinc/22/51/57/952225157.db2.gz RXVMMUGLRZJASJ-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575154503 952225293 /nfs/dbraw/zinc/22/52/93/952225293.db2.gz RSGNKEHQGHZJPP-MNOVXSKESA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1cccn(C)c1=O ZINC001575163514 952280754 /nfs/dbraw/zinc/28/07/54/952280754.db2.gz CAEHUEPZVFBKPD-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cccn(C)c1=O ZINC001575163514 952280759 /nfs/dbraw/zinc/28/07/59/952280759.db2.gz CAEHUEPZVFBKPD-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575164188 952287771 /nfs/dbraw/zinc/28/77/71/952287771.db2.gz JIPJHBODLLMFIJ-MRVPVSSYSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575164188 952287779 /nfs/dbraw/zinc/28/77/79/952287779.db2.gz JIPJHBODLLMFIJ-MRVPVSSYSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575164739 952298043 /nfs/dbraw/zinc/29/80/43/952298043.db2.gz NUQIRNHHFWZMMR-INIZCTEOSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575164739 952298056 /nfs/dbraw/zinc/29/80/56/952298056.db2.gz NUQIRNHHFWZMMR-INIZCTEOSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001575165030 952303020 /nfs/dbraw/zinc/30/30/20/952303020.db2.gz QFXWJWZLGMZDJV-QMMMGPOBSA-N -1 3 375.368 0.413 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1COCCO1 ZINC001575165023 952303033 /nfs/dbraw/zinc/30/30/33/952303033.db2.gz JOPCOCRKQIERDG-CABZTGNLSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1COCCO1 ZINC001575165023 952303041 /nfs/dbraw/zinc/30/30/41/952303041.db2.gz JOPCOCRKQIERDG-CABZTGNLSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575165370 952308690 /nfs/dbraw/zinc/30/86/90/952308690.db2.gz SGKXHFORULDQHR-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575165370 952308694 /nfs/dbraw/zinc/30/86/94/952308694.db2.gz SGKXHFORULDQHR-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575165434 952309379 /nfs/dbraw/zinc/30/93/79/952309379.db2.gz SXHANPNEYZDNQG-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575165434 952309386 /nfs/dbraw/zinc/30/93/86/952309386.db2.gz SXHANPNEYZDNQG-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCN1CCCC1=O ZINC001575165425 952309398 /nfs/dbraw/zinc/30/93/98/952309398.db2.gz SRYLDZKVRJHTCQ-NSHDSACASA-N -1 3 390.423 0.672 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCN1CCCC1=O ZINC001575165425 952309403 /nfs/dbraw/zinc/30/94/03/952309403.db2.gz SRYLDZKVRJHTCQ-NSHDSACASA-N -1 3 390.423 0.672 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575165549 952309702 /nfs/dbraw/zinc/30/97/02/952309702.db2.gz OOGHEPLJDWUWJB-ONGXEEELSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575165549 952309708 /nfs/dbraw/zinc/30/97/08/952309708.db2.gz OOGHEPLJDWUWJB-ONGXEEELSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1nnn(C)n1 ZINC001575165545 952310008 /nfs/dbraw/zinc/31/00/08/952310008.db2.gz OODIJBMWZRIUTF-ZETCQYMHSA-N -1 3 377.800 0.011 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1nnn(C)n1 ZINC001575165545 952310012 /nfs/dbraw/zinc/31/00/12/952310012.db2.gz OODIJBMWZRIUTF-ZETCQYMHSA-N -1 3 377.800 0.011 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575165638 952311293 /nfs/dbraw/zinc/31/12/93/952311293.db2.gz UQJGHFYVSXXXNS-BBATYDOGSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575165638 952311302 /nfs/dbraw/zinc/31/13/02/952311302.db2.gz UQJGHFYVSXXXNS-BBATYDOGSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575165636 952311360 /nfs/dbraw/zinc/31/13/60/952311360.db2.gz UQJGHFYVSXXXNS-ADLMAVQZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575165636 952311367 /nfs/dbraw/zinc/31/13/67/952311367.db2.gz UQJGHFYVSXXXNS-ADLMAVQZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575166004 952317319 /nfs/dbraw/zinc/31/73/19/952317319.db2.gz RTWDZTWHHLVSJJ-ZBEGNZNMSA-N -1 3 390.379 0.206 20 0 GCADHM C[C@@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575166004 952317324 /nfs/dbraw/zinc/31/73/24/952317324.db2.gz RTWDZTWHHLVSJJ-ZBEGNZNMSA-N -1 3 390.379 0.206 20 0 GCADHM C[C@@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575165999 952318130 /nfs/dbraw/zinc/31/81/30/952318130.db2.gz RTWDZTWHHLVSJJ-BZNIZROVSA-N -1 3 390.379 0.206 20 0 GCADHM C[C@@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575165999 952318137 /nfs/dbraw/zinc/31/81/37/952318137.db2.gz RTWDZTWHHLVSJJ-BZNIZROVSA-N -1 3 390.379 0.206 20 0 GCADHM C[C@@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575165979 952318787 /nfs/dbraw/zinc/31/87/87/952318787.db2.gz RMSHHHIDTWZBCD-SJCJKPOMSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575165979 952318794 /nfs/dbraw/zinc/31/87/94/952318794.db2.gz RMSHHHIDTWZBCD-SJCJKPOMSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1cnnn1C ZINC001575166305 952323495 /nfs/dbraw/zinc/32/34/95/952323495.db2.gz VCKUHVIYKYVWTQ-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1cnnn1C ZINC001575166305 952323501 /nfs/dbraw/zinc/32/35/01/952323501.db2.gz VCKUHVIYKYVWTQ-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575166509 952325749 /nfs/dbraw/zinc/32/57/49/952325749.db2.gz XBVPZJOQVGPMDX-VGTOOOLASA-N -1 3 388.407 0.219 20 0 GCADHM C[C@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575166509 952325757 /nfs/dbraw/zinc/32/57/57/952325757.db2.gz XBVPZJOQVGPMDX-VGTOOOLASA-N -1 3 388.407 0.219 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)CCn1cncn1 ZINC001575166706 952328546 /nfs/dbraw/zinc/32/85/46/952328546.db2.gz XNMUOAALKIDRBC-JTQLQIEISA-N -1 3 390.839 0.856 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)CCn1cncn1 ZINC001575166706 952328554 /nfs/dbraw/zinc/32/85/54/952328554.db2.gz XNMUOAALKIDRBC-JTQLQIEISA-N -1 3 390.839 0.856 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575166954 952329251 /nfs/dbraw/zinc/32/92/51/952329251.db2.gz AZJWKUCRECUKDG-CHWSQXEVSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575166954 952329259 /nfs/dbraw/zinc/32/92/59/952329259.db2.gz AZJWKUCRECUKDG-CHWSQXEVSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575167145 952332958 /nfs/dbraw/zinc/33/29/58/952332958.db2.gz CPVLOCCVEVQHHD-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575167145 952332965 /nfs/dbraw/zinc/33/29/65/952332965.db2.gz CPVLOCCVEVQHHD-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575169194 952345872 /nfs/dbraw/zinc/34/58/72/952345872.db2.gz PEMFZIUMWOPFJQ-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575169194 952345878 /nfs/dbraw/zinc/34/58/78/952345878.db2.gz PEMFZIUMWOPFJQ-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575170014 952352140 /nfs/dbraw/zinc/35/21/40/952352140.db2.gz VJSHDORSSVJBSF-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575170014 952352148 /nfs/dbraw/zinc/35/21/48/952352148.db2.gz VJSHDORSSVJBSF-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575170039 952353207 /nfs/dbraw/zinc/35/32/07/952353207.db2.gz VXJCQCSMBXFWQS-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575170039 952353210 /nfs/dbraw/zinc/35/32/10/952353210.db2.gz VXJCQCSMBXFWQS-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575170228 952354417 /nfs/dbraw/zinc/35/44/17/952354417.db2.gz WOMZYEHSIOPRAZ-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575170228 952354423 /nfs/dbraw/zinc/35/44/23/952354423.db2.gz WOMZYEHSIOPRAZ-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM CC(CO)(CO)CNC(=O)N[C@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001575180585 952418132 /nfs/dbraw/zinc/41/81/32/952418132.db2.gz WJJCRSMAIACNPK-LLVKDONJSA-N -1 3 388.350 0.760 20 0 GCADHM CC(CO)(CO)CNC(=O)N[C@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001575180585 952418134 /nfs/dbraw/zinc/41/81/34/952418134.db2.gz WJJCRSMAIACNPK-LLVKDONJSA-N -1 3 388.350 0.760 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001575184880 952425718 /nfs/dbraw/zinc/42/57/18/952425718.db2.gz GENLICJFNLKVGO-ZDUSSCGKSA-N -1 3 392.485 0.192 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001575184880 952425720 /nfs/dbraw/zinc/42/57/20/952425720.db2.gz GENLICJFNLKVGO-ZDUSSCGKSA-N -1 3 392.485 0.192 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575184962 952426940 /nfs/dbraw/zinc/42/69/40/952426940.db2.gz IDPWXNIBXRVDLU-IUODEOHRSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575184962 952426944 /nfs/dbraw/zinc/42/69/44/952426944.db2.gz IDPWXNIBXRVDLU-IUODEOHRSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575185039 952427648 /nfs/dbraw/zinc/42/76/48/952427648.db2.gz KBFPWYWWFZNNOZ-QWRGUYRKSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575185039 952427654 /nfs/dbraw/zinc/42/76/54/952427654.db2.gz KBFPWYWWFZNNOZ-QWRGUYRKSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575185953 952436844 /nfs/dbraw/zinc/43/68/44/952436844.db2.gz WZYYXSPZPSALMP-GFCCVEGCSA-N -1 3 380.474 0.095 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575185953 952436847 /nfs/dbraw/zinc/43/68/47/952436847.db2.gz WZYYXSPZPSALMP-GFCCVEGCSA-N -1 3 380.474 0.095 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001575186061 952438067 /nfs/dbraw/zinc/43/80/67/952438067.db2.gz YLKARBSOVKRGGV-LLVKDONJSA-N -1 3 389.441 0.731 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001575186061 952438072 /nfs/dbraw/zinc/43/80/72/952438072.db2.gz YLKARBSOVKRGGV-LLVKDONJSA-N -1 3 389.441 0.731 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C(F)F)c1 ZINC001571114527 952456160 /nfs/dbraw/zinc/45/61/60/952456160.db2.gz JYAZSDVQGWHTKD-NSHDSACASA-N -1 3 375.343 0.862 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C(F)F)c1 ZINC001571114527 952456163 /nfs/dbraw/zinc/45/61/63/952456163.db2.gz JYAZSDVQGWHTKD-NSHDSACASA-N -1 3 375.343 0.862 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571114545 952456171 /nfs/dbraw/zinc/45/61/71/952456171.db2.gz KQXHEWXZOYJVNY-BXKDBHETSA-N -1 3 375.364 0.517 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571114545 952456174 /nfs/dbraw/zinc/45/61/74/952456174.db2.gz KQXHEWXZOYJVNY-BXKDBHETSA-N -1 3 375.364 0.517 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575189412 952457831 /nfs/dbraw/zinc/45/78/31/952457831.db2.gz OLVQKFQJCDKASU-STQMWFEESA-N -1 3 385.428 0.965 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575189412 952457836 /nfs/dbraw/zinc/45/78/36/952457836.db2.gz OLVQKFQJCDKASU-STQMWFEESA-N -1 3 385.428 0.965 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575189778 952458471 /nfs/dbraw/zinc/45/84/71/952458471.db2.gz QHHLGATYFNJNNC-TZMCWYRMSA-N -1 3 385.428 0.965 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575189778 952458475 /nfs/dbraw/zinc/45/84/75/952458475.db2.gz QHHLGATYFNJNNC-TZMCWYRMSA-N -1 3 385.428 0.965 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575189786 952459308 /nfs/dbraw/zinc/45/93/08/952459308.db2.gz QJARYHWBNQIFRK-NSHDSACASA-N -1 3 383.412 0.949 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575189786 952459311 /nfs/dbraw/zinc/45/93/11/952459311.db2.gz QJARYHWBNQIFRK-NSHDSACASA-N -1 3 383.412 0.949 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575196577 952475558 /nfs/dbraw/zinc/47/55/58/952475558.db2.gz HGBVZDWUVXKRRY-ZYHUDNBSSA-N -1 3 389.391 0.762 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575196577 952475563 /nfs/dbraw/zinc/47/55/63/952475563.db2.gz HGBVZDWUVXKRRY-ZYHUDNBSSA-N -1 3 389.391 0.762 20 0 GCADHM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC001571116619 952475721 /nfs/dbraw/zinc/47/57/21/952475721.db2.gz ANCZAZNTZRQHBJ-TUAOUCFPSA-N -1 3 375.458 0.990 20 0 GCADHM CC[C@@H](OC)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571116685 952477175 /nfs/dbraw/zinc/47/71/75/952477175.db2.gz CAVIKUAQKNRPDE-SMDDNHRTSA-N -1 3 375.433 0.683 20 0 GCADHM CC[C@@H](OC)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571116685 952477178 /nfs/dbraw/zinc/47/71/78/952477178.db2.gz CAVIKUAQKNRPDE-SMDDNHRTSA-N -1 3 375.433 0.683 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575196919 952477652 /nfs/dbraw/zinc/47/76/52/952477652.db2.gz LCYZUXJTRSBYFR-LBPRGKRZSA-N -1 3 383.412 0.951 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575196919 952477656 /nfs/dbraw/zinc/47/76/56/952477656.db2.gz LCYZUXJTRSBYFR-LBPRGKRZSA-N -1 3 383.412 0.951 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCCOC1 ZINC001571116825 952478048 /nfs/dbraw/zinc/47/80/48/952478048.db2.gz DEFPGQWMQKKWTR-YPMHNXCESA-N -1 3 375.408 0.912 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCCOC1 ZINC001571116825 952478052 /nfs/dbraw/zinc/47/80/52/952478052.db2.gz DEFPGQWMQKKWTR-YPMHNXCESA-N -1 3 375.408 0.912 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)[C@H](O)C(C)C ZINC001571117166 952479253 /nfs/dbraw/zinc/47/92/53/952479253.db2.gz HPOSQIWEHYQGNP-IACUBPJLSA-N -1 3 375.433 0.321 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)[C@H](O)C(C)C ZINC001571117166 952479257 /nfs/dbraw/zinc/47/92/57/952479257.db2.gz HPOSQIWEHYQGNP-IACUBPJLSA-N -1 3 375.433 0.321 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571117189 952481033 /nfs/dbraw/zinc/48/10/33/952481033.db2.gz IDLYVNSQKLLSKJ-CYBMUJFWSA-N -1 3 375.408 0.863 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571117189 952481035 /nfs/dbraw/zinc/48/10/35/952481035.db2.gz IDLYVNSQKLLSKJ-CYBMUJFWSA-N -1 3 375.408 0.863 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](F)C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571117505 952482108 /nfs/dbraw/zinc/48/21/08/952482108.db2.gz LRVFBMNIVYSUKS-AAXDQBDMSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](F)C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571117505 952482111 /nfs/dbraw/zinc/48/21/11/952482111.db2.gz LRVFBMNIVYSUKS-AAXDQBDMSA-N -1 3 375.408 0.958 20 0 GCADHM CC[C@H](C)C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571117658 952482768 /nfs/dbraw/zinc/48/27/68/952482768.db2.gz OGESLWBYPYHHSC-WCQYABFASA-N -1 3 375.433 0.588 20 0 GCADHM CC[C@H](C)C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571117658 952482772 /nfs/dbraw/zinc/48/27/72/952482772.db2.gz OGESLWBYPYHHSC-WCQYABFASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(F)C(=O)N1C[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@]2(C)C1 ZINC001571117542 952483247 /nfs/dbraw/zinc/48/32/47/952483247.db2.gz MQRMDEASXFOUEM-DIFFPNOSSA-N -1 3 375.408 0.863 20 0 GCADHM CC(C)(F)C(=O)N1C[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@]2(C)C1 ZINC001571117542 952483251 /nfs/dbraw/zinc/48/32/51/952483251.db2.gz MQRMDEASXFOUEM-DIFFPNOSSA-N -1 3 375.408 0.863 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)c1cocn1 ZINC001571117603 952483321 /nfs/dbraw/zinc/48/33/21/952483321.db2.gz NTMXVSYWRMEVJA-JQWIXIFHSA-N -1 3 375.414 0.281 20 0 GCADHM C[C@]1(NC(=O)[C@@H]2CCCOC2)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571117749 952484302 /nfs/dbraw/zinc/48/43/02/952484302.db2.gz QCQROEFXUIXOMT-DIFFPNOSSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@]1(NC(=O)[C@@H]2CCCOC2)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571117749 952484305 /nfs/dbraw/zinc/48/43/05/952484305.db2.gz QCQROEFXUIXOMT-DIFFPNOSSA-N -1 3 375.408 0.912 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571118051 952485691 /nfs/dbraw/zinc/48/56/91/952485691.db2.gz SUULGTIZSIHJRH-GFCCVEGCSA-N -1 3 375.458 0.097 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001575197599 952485880 /nfs/dbraw/zinc/48/58/80/952485880.db2.gz XOAOVFAPJHBIRK-HFBAOOFYSA-N -1 3 383.412 0.399 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001575197599 952485882 /nfs/dbraw/zinc/48/58/82/952485882.db2.gz XOAOVFAPJHBIRK-HFBAOOFYSA-N -1 3 383.412 0.399 20 0 GCADHM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)C2CCOCC2)c1-c1nnn[n-]1 ZINC001571118572 952488763 /nfs/dbraw/zinc/48/87/63/952488763.db2.gz XGBTVTFQRWCRFM-RYUDHWBXSA-N -1 3 375.458 0.848 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)C1 ZINC001571118558 952488785 /nfs/dbraw/zinc/48/87/85/952488785.db2.gz XCYCLRYFJPOSFK-JTQLQIEISA-N -1 3 375.458 0.654 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)C1 ZINC001571118558 952488788 /nfs/dbraw/zinc/48/87/88/952488788.db2.gz XCYCLRYFJPOSFK-JTQLQIEISA-N -1 3 375.458 0.654 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001575199600 952489531 /nfs/dbraw/zinc/48/95/31/952489531.db2.gz DIPOPAOIRWHMDH-NSHDSACASA-N -1 3 382.432 0.709 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575199656 952489694 /nfs/dbraw/zinc/48/96/94/952489694.db2.gz DUFIDNXWYGOVDJ-DOMZBBRYSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575199656 952489697 /nfs/dbraw/zinc/48/96/97/952489697.db2.gz DUFIDNXWYGOVDJ-DOMZBBRYSA-N -1 3 381.444 0.569 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H](Nc2cc(Cl)c(=O)[nH]n2)C1 ZINC001571119376 952490488 /nfs/dbraw/zinc/49/04/88/952490488.db2.gz AHANUAKCZMZUGZ-QMMMGPOBSA-N -1 3 375.780 0.670 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H](Nc2cc(Cl)c(=O)[nH]n2)C1 ZINC001571119376 952490491 /nfs/dbraw/zinc/49/04/91/952490491.db2.gz AHANUAKCZMZUGZ-QMMMGPOBSA-N -1 3 375.780 0.670 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001575200280 952494134 /nfs/dbraw/zinc/49/41/34/952494134.db2.gz ICULZYHOGPVXHA-DMDPSCGWSA-N -1 3 382.432 0.200 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001575200280 952494138 /nfs/dbraw/zinc/49/41/38/952494138.db2.gz ICULZYHOGPVXHA-DMDPSCGWSA-N -1 3 382.432 0.200 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575200335 952495187 /nfs/dbraw/zinc/49/51/87/952495187.db2.gz CIXULOQDDNOSAS-DGCLKSJQSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575200335 952495191 /nfs/dbraw/zinc/49/51/91/952495191.db2.gz CIXULOQDDNOSAS-DGCLKSJQSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200414 952495569 /nfs/dbraw/zinc/49/55/69/952495569.db2.gz JDAQPPKPGHDGMZ-VXGBXAGGSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001575200348 952495596 /nfs/dbraw/zinc/49/55/96/952495596.db2.gz ISGMZTJENUWDEY-JTNHKYCSSA-N -1 3 382.432 0.200 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575200348 952495600 /nfs/dbraw/zinc/49/56/00/952495600.db2.gz ISGMZTJENUWDEY-JTNHKYCSSA-N -1 3 382.432 0.200 20 0 GCADHM CN(C(=O)[C@H]1COCCO1)C1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571119881 952496003 /nfs/dbraw/zinc/49/60/03/952496003.db2.gz GFZSDMBFSUHBLW-OAHLLOKOSA-N -1 3 376.392 0.064 20 0 GCADHM CN(C(=O)[C@H]1COCCO1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571119881 952496005 /nfs/dbraw/zinc/49/60/05/952496005.db2.gz GFZSDMBFSUHBLW-OAHLLOKOSA-N -1 3 376.392 0.064 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)C1CC(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200689 952498317 /nfs/dbraw/zinc/49/83/17/952498317.db2.gz DZVQULJUAJDBRK-ZBOXLXRLSA-N -1 3 382.432 0.082 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200689 952498323 /nfs/dbraw/zinc/49/83/23/952498323.db2.gz DZVQULJUAJDBRK-ZBOXLXRLSA-N -1 3 382.432 0.082 20 0 GCADHM O=S(=O)(Cc1ccno1)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571120063 952498606 /nfs/dbraw/zinc/49/86/06/952498606.db2.gz IVGOQELORCNEDF-CQSZACIVSA-N -1 3 376.398 0.758 20 0 GCADHM O=S(=O)(Cc1ccno1)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571120063 952498611 /nfs/dbraw/zinc/49/86/11/952498611.db2.gz IVGOQELORCNEDF-CQSZACIVSA-N -1 3 376.398 0.758 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200875 952499622 /nfs/dbraw/zinc/49/96/22/952499622.db2.gz MFYPDBLWFAXFHQ-UNXYVOJBSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)C1CC(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575201251 952501862 /nfs/dbraw/zinc/50/18/62/952501862.db2.gz HVXALDHBABUGCK-XSRFYTQQSA-N -1 3 382.432 0.660 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)C1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575201251 952501865 /nfs/dbraw/zinc/50/18/65/952501865.db2.gz HVXALDHBABUGCK-XSRFYTQQSA-N -1 3 382.432 0.660 20 0 GCADHM CCc1nn(C)c(C(N)=O)c1NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001571120413 952503764 /nfs/dbraw/zinc/50/37/64/952503764.db2.gz LBJKMUUQFMIPPD-UHFFFAOYSA-N -1 3 376.327 0.792 20 0 GCADHM CCc1nn(C)c(C(N)=O)c1NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001571120413 952503767 /nfs/dbraw/zinc/50/37/67/952503767.db2.gz LBJKMUUQFMIPPD-UHFFFAOYSA-N -1 3 376.327 0.792 20 0 GCADHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2ncncc2-c2nnn[n-]2)C1 ZINC001571120404 952503879 /nfs/dbraw/zinc/50/38/79/952503879.db2.gz MMXVGLDWIJAZGV-INIZCTEOSA-N -1 3 376.421 0.513 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575201645 952507008 /nfs/dbraw/zinc/50/70/08/952507008.db2.gz JIGQPNCIHIVYED-NSHDSACASA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575201645 952507014 /nfs/dbraw/zinc/50/70/14/952507014.db2.gz JIGQPNCIHIVYED-NSHDSACASA-N -1 3 382.432 0.662 20 0 GCADHM Cc1noc([C@@H]2OCC[C@@H]2NCC(=O)Nc2sccc2-c2nnn[n-]2)n1 ZINC001571120855 952509988 /nfs/dbraw/zinc/50/99/88/952509988.db2.gz RRYGJTRZDXVICA-GXSJLCMTSA-N -1 3 376.402 0.678 20 0 GCADHM Cc1noc([C@@H]2OCC[C@@H]2NCC(=O)Nc2sccc2-c2nn[n-]n2)n1 ZINC001571120855 952509991 /nfs/dbraw/zinc/50/99/91/952509991.db2.gz RRYGJTRZDXVICA-GXSJLCMTSA-N -1 3 376.402 0.678 20 0 GCADHM COc1ncc(NC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)cc1-c1nnn[n-]1 ZINC001571120876 952510137 /nfs/dbraw/zinc/51/01/37/952510137.db2.gz SAUAYZOINGIUHA-QWRGUYRKSA-N -1 3 376.421 0.189 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575202178 952511776 /nfs/dbraw/zinc/51/17/76/952511776.db2.gz SMHCTWMEMUPEHA-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575202178 952511781 /nfs/dbraw/zinc/51/17/81/952511781.db2.gz SMHCTWMEMUPEHA-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575202222 952512309 /nfs/dbraw/zinc/51/23/09/952512309.db2.gz UNHXNPSLGSEUBQ-IJLUTSLNSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575202222 952512313 /nfs/dbraw/zinc/51/23/13/952512313.db2.gz UNHXNPSLGSEUBQ-IJLUTSLNSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575203257 952519643 /nfs/dbraw/zinc/51/96/43/952519643.db2.gz SEGOKIKNIYPJAD-LBPRGKRZSA-N -1 3 384.448 0.543 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575203257 952519647 /nfs/dbraw/zinc/51/96/47/952519647.db2.gz SEGOKIKNIYPJAD-LBPRGKRZSA-N -1 3 384.448 0.543 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575203398 952521198 /nfs/dbraw/zinc/52/11/98/952521198.db2.gz VZORFAIBNXHKPS-AAEUAGOBSA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575203398 952521200 /nfs/dbraw/zinc/52/12/00/952521200.db2.gz VZORFAIBNXHKPS-AAEUAGOBSA-N -1 3 382.432 0.296 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575203349 952521561 /nfs/dbraw/zinc/52/15/61/952521561.db2.gz ULCCZNCWEQQPPD-ZWNOBZJWSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575203349 952521564 /nfs/dbraw/zinc/52/15/64/952521564.db2.gz ULCCZNCWEQQPPD-ZWNOBZJWSA-N -1 3 382.432 0.565 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001571121923 952522506 /nfs/dbraw/zinc/52/25/06/952522506.db2.gz FDLBMGAPXMKNTP-INIZCTEOSA-N -1 3 376.442 0.611 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001571121923 952522513 /nfs/dbraw/zinc/52/25/13/952522513.db2.gz FDLBMGAPXMKNTP-INIZCTEOSA-N -1 3 376.442 0.611 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575203504 952524265 /nfs/dbraw/zinc/52/42/65/952524265.db2.gz YUPOAGOVFCDEHA-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575203504 952524269 /nfs/dbraw/zinc/52/42/69/952524269.db2.gz YUPOAGOVFCDEHA-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575205925 952526492 /nfs/dbraw/zinc/52/64/92/952526492.db2.gz FXZAQOBYSHOJDL-LBPRGKRZSA-N -1 3 381.444 0.935 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575205925 952526498 /nfs/dbraw/zinc/52/64/98/952526498.db2.gz FXZAQOBYSHOJDL-LBPRGKRZSA-N -1 3 381.444 0.935 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575206207 952528010 /nfs/dbraw/zinc/52/80/10/952528010.db2.gz IHMZFIPIDJOSGY-INIZCTEOSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575206207 952528014 /nfs/dbraw/zinc/52/80/14/952528014.db2.gz IHMZFIPIDJOSGY-INIZCTEOSA-N -1 3 379.371 0.915 20 0 GCADHM NC(=O)c1cccc2c1CCN([C@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571124221 952535264 /nfs/dbraw/zinc/53/52/64/952535264.db2.gz BMEZQIYGALDMRR-INIZCTEOSA-N -1 3 377.408 0.550 20 0 GCADHM NC(=O)c1cccc2c1CCN([C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001571124221 952535270 /nfs/dbraw/zinc/53/52/70/952535270.db2.gz BMEZQIYGALDMRR-INIZCTEOSA-N -1 3 377.408 0.550 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(F)F ZINC001571124308 952536240 /nfs/dbraw/zinc/53/62/40/952536240.db2.gz FGRWWYUGYCKIMJ-AXFHLTTASA-N -1 3 377.355 0.665 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(F)F ZINC001571124308 952536245 /nfs/dbraw/zinc/53/62/45/952536245.db2.gz FGRWWYUGYCKIMJ-AXFHLTTASA-N -1 3 377.355 0.665 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1(F)CCOCC1 ZINC001571124464 952538460 /nfs/dbraw/zinc/53/84/60/952538460.db2.gz JRFIVUKRVWACCR-LLVKDONJSA-N -1 3 377.380 0.044 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1(F)CCOCC1 ZINC001571124464 952538465 /nfs/dbraw/zinc/53/84/65/952538465.db2.gz JRFIVUKRVWACCR-LLVKDONJSA-N -1 3 377.380 0.044 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@H]2Cc3ccccc32)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571124410 952538630 /nfs/dbraw/zinc/53/86/30/952538630.db2.gz IBECPWZIAYDYFF-JSGCOSHPSA-N -1 3 377.408 0.865 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@H]2Cc3ccccc32)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571124410 952538638 /nfs/dbraw/zinc/53/86/38/952538638.db2.gz IBECPWZIAYDYFF-JSGCOSHPSA-N -1 3 377.408 0.865 20 0 GCADHM O=S(=O)(NC[C@H](O)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001571124650 952542707 /nfs/dbraw/zinc/54/27/07/952542707.db2.gz QHTSESUFVRMFNJ-CYBMUJFWSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(NC[C@H](O)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001571124650 952542710 /nfs/dbraw/zinc/54/27/10/952542710.db2.gz QHTSESUFVRMFNJ-CYBMUJFWSA-N -1 3 377.401 0.888 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571125073 952547648 /nfs/dbraw/zinc/54/76/48/952547648.db2.gz ZVNZXYPDVNVKKG-VXGBXAGGSA-N -1 3 377.380 0.219 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571125073 952547653 /nfs/dbraw/zinc/54/76/53/952547653.db2.gz ZVNZXYPDVNVKKG-VXGBXAGGSA-N -1 3 377.380 0.219 20 0 GCADHM O=C(c1cncnc1)N1CC[C@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571127179 952551402 /nfs/dbraw/zinc/55/14/02/952551402.db2.gz HPMDSOBIYRHLHX-SFHVURJKSA-N -1 3 377.412 0.794 20 0 GCADHM O=C(c1cncnc1)N1CC[C@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571127179 952551406 /nfs/dbraw/zinc/55/14/06/952551406.db2.gz HPMDSOBIYRHLHX-SFHVURJKSA-N -1 3 377.412 0.794 20 0 GCADHM CC(F)(F)C(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C1 ZINC001575212213 952552177 /nfs/dbraw/zinc/55/21/77/952552177.db2.gz FMDIXDMNXFWLID-KOLCDFICSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C1 ZINC001575212213 952552181 /nfs/dbraw/zinc/55/21/81/952552181.db2.gz FMDIXDMNXFWLID-KOLCDFICSA-N -1 3 379.371 0.771 20 0 GCADHM CS[C@@H](C)C(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571127260 952552887 /nfs/dbraw/zinc/55/28/87/952552887.db2.gz CLAXWALSDOAKGW-JTQLQIEISA-N -1 3 377.474 0.915 20 0 GCADHM CS[C@@H](C)C(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571127260 952552889 /nfs/dbraw/zinc/55/28/89/952552889.db2.gz CLAXWALSDOAKGW-JTQLQIEISA-N -1 3 377.474 0.915 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)c3cnns3)[C@H]2C)c1-c1nnn[n-]1 ZINC001571127332 952553630 /nfs/dbraw/zinc/55/36/30/952553630.db2.gz DIOMCRNXSUZPBK-SFYZADRCSA-N -1 3 377.459 0.880 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575212919 952556761 /nfs/dbraw/zinc/55/67/61/952556761.db2.gz NVCDQRZXFCAARG-FVMDXXJSSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575212919 952556763 /nfs/dbraw/zinc/55/67/63/952556763.db2.gz NVCDQRZXFCAARG-FVMDXXJSSA-N -1 3 379.371 0.961 20 0 GCADHM Cc1nsc(N2CC[C@](C)(NC(=O)c3cnsn3)C2)c1-c1nnn[n-]1 ZINC001571127586 952558214 /nfs/dbraw/zinc/55/82/14/952558214.db2.gz JGMGFDIIMORAGC-ZDUSSCGKSA-N -1 3 377.459 0.882 20 0 GCADHM Cc1nnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1 ZINC001571127757 952559558 /nfs/dbraw/zinc/55/95/58/952559558.db2.gz MRIOLQPYNFATJG-SNPRPXQTSA-N -1 3 377.412 0.900 20 0 GCADHM Cc1nnccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1 ZINC001571127757 952559559 /nfs/dbraw/zinc/55/95/59/952559559.db2.gz MRIOLQPYNFATJG-SNPRPXQTSA-N -1 3 377.412 0.900 20 0 GCADHM CC(F)(F)C(=O)N1CCC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001575214355 952564468 /nfs/dbraw/zinc/56/44/68/952564468.db2.gz XNRUZVAHEPWAJL-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CCC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001575214355 952564471 /nfs/dbraw/zinc/56/44/71/952564471.db2.gz XNRUZVAHEPWAJL-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)C[C@H]3COC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571128153 952564787 /nfs/dbraw/zinc/56/47/87/952564787.db2.gz PDGRCVGGMVSFLL-NXEZZACHSA-N -1 3 377.430 0.598 20 0 GCADHM O=C(c1cccnn1)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571128196 952564791 /nfs/dbraw/zinc/56/47/91/952564791.db2.gz QHBDWBLNTXVVDN-LSDHHAIUSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1cccnn1)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571128196 952564792 /nfs/dbraw/zinc/56/47/92/952564792.db2.gz QHBDWBLNTXVVDN-LSDHHAIUSA-N -1 3 377.412 0.935 20 0 GCADHM Cc1nccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nnn[n-]2)n1 ZINC001571128205 952565205 /nfs/dbraw/zinc/56/52/05/952565205.db2.gz QUTAGJIVHVQVGP-UGFHNGPFSA-N -1 3 377.412 0.900 20 0 GCADHM Cc1nccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nn[n-]n2)n1 ZINC001571128205 952565209 /nfs/dbraw/zinc/56/52/09/952565209.db2.gz QUTAGJIVHVQVGP-UGFHNGPFSA-N -1 3 377.412 0.900 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575214571 952565750 /nfs/dbraw/zinc/56/57/50/952565750.db2.gz ZEFKPSFKHAFKTR-CABZTGNLSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575214571 952565752 /nfs/dbraw/zinc/56/57/52/952565752.db2.gz ZEFKPSFKHAFKTR-CABZTGNLSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575214892 952566483 /nfs/dbraw/zinc/56/64/83/952566483.db2.gz PAAWXWGQUCOWCS-MRVPVSSYSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575214892 952566488 /nfs/dbraw/zinc/56/64/88/952566488.db2.gz PAAWXWGQUCOWCS-MRVPVSSYSA-N -1 3 385.375 0.083 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571128489 952567049 /nfs/dbraw/zinc/56/70/49/952567049.db2.gz UUHAHGAYFATJBR-LSDHHAIUSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571128489 952567058 /nfs/dbraw/zinc/56/70/58/952567058.db2.gz UUHAHGAYFATJBR-LSDHHAIUSA-N -1 3 377.412 0.935 20 0 GCADHM CS[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571128563 952568197 /nfs/dbraw/zinc/56/81/97/952568197.db2.gz UTPHQMYWSGDBPG-ZBEGNZNMSA-N -1 3 377.474 0.779 20 0 GCADHM CS[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571128563 952568199 /nfs/dbraw/zinc/56/81/99/952568199.db2.gz UTPHQMYWSGDBPG-ZBEGNZNMSA-N -1 3 377.474 0.779 20 0 GCADHM CS[C@H](C)C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571128561 952568580 /nfs/dbraw/zinc/56/85/80/952568580.db2.gz UTPHQMYWSGDBPG-BZNIZROVSA-N -1 3 377.474 0.779 20 0 GCADHM CS[C@H](C)C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571128561 952568582 /nfs/dbraw/zinc/56/85/82/952568582.db2.gz UTPHQMYWSGDBPG-BZNIZROVSA-N -1 3 377.474 0.779 20 0 GCADHM O=C1c2ccc(Cl)cc2S(=O)(=O)N1Cc1ncc(-c2nnn[n-]2)cn1 ZINC001571128559 952568924 /nfs/dbraw/zinc/56/89/24/952568924.db2.gz UQGMIBLXLTWQEU-UHFFFAOYSA-N -1 3 377.773 0.655 20 0 GCADHM O=C1c2ccc(Cl)cc2S(=O)(=O)N1Cc1ncc(-c2nn[n-]n2)cn1 ZINC001571128559 952568928 /nfs/dbraw/zinc/56/89/28/952568928.db2.gz UQGMIBLXLTWQEU-UHFFFAOYSA-N -1 3 377.773 0.655 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575215507 952568999 /nfs/dbraw/zinc/56/89/99/952568999.db2.gz VCYOWOOXFOIPTJ-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575215507 952569001 /nfs/dbraw/zinc/56/90/01/952569001.db2.gz VCYOWOOXFOIPTJ-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)c1csnn1 ZINC001571128877 952572116 /nfs/dbraw/zinc/57/21/16/952572116.db2.gz YKBXCLAZKDRCBW-MRVPVSSYSA-N -1 3 377.821 0.775 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)c1csnn1 ZINC001571128877 952572118 /nfs/dbraw/zinc/57/21/18/952572118.db2.gz YKBXCLAZKDRCBW-MRVPVSSYSA-N -1 3 377.821 0.775 20 0 GCADHM Nc1cccnc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001571129169 952573319 /nfs/dbraw/zinc/57/33/19/952573319.db2.gz AVLNUMGZPIPAOP-AWEZNQCLSA-N -1 3 378.396 0.375 20 0 GCADHM Nc1cccnc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001571129169 952573320 /nfs/dbraw/zinc/57/33/20/952573320.db2.gz AVLNUMGZPIPAOP-AWEZNQCLSA-N -1 3 378.396 0.375 20 0 GCADHM CN1c2ccccc2C[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cn2)C1=O ZINC001571129954 952577677 /nfs/dbraw/zinc/57/76/77/952577677.db2.gz LSHHBIUZYZJBBL-CQSZACIVSA-N -1 3 378.396 0.649 20 0 GCADHM CN1c2ccccc2C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cn2)C1=O ZINC001571129954 952577679 /nfs/dbraw/zinc/57/76/79/952577679.db2.gz LSHHBIUZYZJBBL-CQSZACIVSA-N -1 3 378.396 0.649 20 0 GCADHM OCc1nnc2n1CCN(c1ncc(-c3nnn[n-]3)cc1Br)C2 ZINC001571129974 952577863 /nfs/dbraw/zinc/57/78/63/952577863.db2.gz MGMVHKUKUDGMMH-UHFFFAOYSA-N -1 3 378.194 0.128 20 0 GCADHM OCc1nnc2n1CCN(c1ncc(-c3nn[n-]n3)cc1Br)C2 ZINC001571129974 952577868 /nfs/dbraw/zinc/57/78/68/952577868.db2.gz MGMVHKUKUDGMMH-UHFFFAOYSA-N -1 3 378.194 0.128 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3ccncc3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571130123 952579048 /nfs/dbraw/zinc/57/90/48/952579048.db2.gz ONLPELSNCDPLRP-XYYAHUGASA-N -1 3 378.396 0.338 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3ccncc3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571130123 952579051 /nfs/dbraw/zinc/57/90/51/952579051.db2.gz ONLPELSNCDPLRP-XYYAHUGASA-N -1 3 378.396 0.338 20 0 GCADHM Cc1cc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)ncc1-c1nnn[n-]1 ZINC001571134871 952596152 /nfs/dbraw/zinc/59/61/52/952596152.db2.gz MFAGGBSPRGJXFF-QGZVFWFLSA-N -1 3 378.440 0.919 20 0 GCADHM Cc1cc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)ncc1-c1nn[n-]n1 ZINC001571134871 952596154 /nfs/dbraw/zinc/59/61/54/952596154.db2.gz MFAGGBSPRGJXFF-QGZVFWFLSA-N -1 3 378.440 0.919 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571135716 952607968 /nfs/dbraw/zinc/60/79/68/952607968.db2.gz BQTGZLONPMLAQG-IAQYHMDHSA-N -1 3 378.408 0.662 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571135716 952607970 /nfs/dbraw/zinc/60/79/70/952607970.db2.gz BQTGZLONPMLAQG-IAQYHMDHSA-N -1 3 378.408 0.662 20 0 GCADHM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571135786 952608840 /nfs/dbraw/zinc/60/88/40/952608840.db2.gz DNYZWSARJLJRKX-JTQLQIEISA-N -1 3 378.418 0.512 20 0 GCADHM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571135786 952608843 /nfs/dbraw/zinc/60/88/43/952608843.db2.gz DNYZWSARJLJRKX-JTQLQIEISA-N -1 3 378.418 0.512 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)c1cc(C2CC2)on1 ZINC001571136012 952610670 /nfs/dbraw/zinc/61/06/70/952610670.db2.gz KOUFDASJSOJVFS-JYAVWHMHSA-N -1 3 378.396 0.992 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)c1cc(C2CC2)on1 ZINC001571136012 952610674 /nfs/dbraw/zinc/61/06/74/952610674.db2.gz KOUFDASJSOJVFS-JYAVWHMHSA-N -1 3 378.396 0.992 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnn1 ZINC001571139256 952619074 /nfs/dbraw/zinc/61/90/74/952619074.db2.gz DHWZHNFSDPWCMK-OSMZGAPFSA-N -1 3 379.384 0.160 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnn1 ZINC001571139256 952619078 /nfs/dbraw/zinc/61/90/78/952619078.db2.gz DHWZHNFSDPWCMK-OSMZGAPFSA-N -1 3 379.384 0.160 20 0 GCADHM Cc1nc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)sc1C(N)=O ZINC001571139137 952619592 /nfs/dbraw/zinc/61/95/92/952619592.db2.gz CPIKVVBZAYZLNV-UHFFFAOYSA-N -1 3 379.352 0.939 20 0 GCADHM Cc1nc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)sc1C(N)=O ZINC001571139137 952619593 /nfs/dbraw/zinc/61/95/93/952619593.db2.gz CPIKVVBZAYZLNV-UHFFFAOYSA-N -1 3 379.352 0.939 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571139354 952620420 /nfs/dbraw/zinc/62/04/20/952620420.db2.gz GNLMMQPJEAMUJW-OPRDCNLKSA-N -1 3 379.371 0.674 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H]2CC2(F)F)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571139354 952620421 /nfs/dbraw/zinc/62/04/21/952620421.db2.gz GNLMMQPJEAMUJW-OPRDCNLKSA-N -1 3 379.371 0.674 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)C2(C(F)F)CC2)C1 ZINC001571139422 952620484 /nfs/dbraw/zinc/62/04/84/952620484.db2.gz HLMQAYFRBCUZPC-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)C2(C(F)F)CC2)C1 ZINC001571139422 952620486 /nfs/dbraw/zinc/62/04/86/952620486.db2.gz HLMQAYFRBCUZPC-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM NC(=O)c1ncccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571139590 952621075 /nfs/dbraw/zinc/62/10/75/952621075.db2.gz JEIKLFAANQAZHE-NSHDSACASA-N -1 3 379.384 0.082 20 0 GCADHM NC(=O)c1ncccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571139590 952621079 /nfs/dbraw/zinc/62/10/79/952621079.db2.gz JEIKLFAANQAZHE-NSHDSACASA-N -1 3 379.384 0.082 20 0 GCADHM Cc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)C2)no1 ZINC001571139573 952621601 /nfs/dbraw/zinc/62/16/01/952621601.db2.gz ITBJWKXKTMIFGZ-SECBINFHSA-N -1 3 379.377 0.875 20 0 GCADHM CN(C(=O)[C@]1(F)CCOC1)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571139903 952622735 /nfs/dbraw/zinc/62/27/35/952622735.db2.gz KSYZWOLPGUIZMV-ZBEGNZNMSA-N -1 3 379.371 0.567 20 0 GCADHM CN(C(=O)[C@]1(F)CCOC1)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571139903 952622739 /nfs/dbraw/zinc/62/27/39/952622739.db2.gz KSYZWOLPGUIZMV-ZBEGNZNMSA-N -1 3 379.371 0.567 20 0 GCADHM CO[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571140036 952623240 /nfs/dbraw/zinc/62/32/40/952623240.db2.gz NVCXETZKEDVLNS-JHJVBQTASA-N -1 3 379.396 0.145 20 0 GCADHM CO[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571140036 952623242 /nfs/dbraw/zinc/62/32/42/952623242.db2.gz NVCXETZKEDVLNS-JHJVBQTASA-N -1 3 379.396 0.145 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCC1(F)F ZINC001571140192 952623485 /nfs/dbraw/zinc/62/34/85/952623485.db2.gz OUBVCXUEBFXASY-ZJUUUORDSA-N -1 3 379.371 0.818 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCC1(F)F ZINC001571140192 952623488 /nfs/dbraw/zinc/62/34/88/952623488.db2.gz OUBVCXUEBFXASY-ZJUUUORDSA-N -1 3 379.371 0.818 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCC1(F)F ZINC001571140190 952623529 /nfs/dbraw/zinc/62/35/29/952623529.db2.gz OUBVCXUEBFXASY-VHSXEESVSA-N -1 3 379.371 0.818 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCC1(F)F ZINC001571140190 952623534 /nfs/dbraw/zinc/62/35/34/952623534.db2.gz OUBVCXUEBFXASY-VHSXEESVSA-N -1 3 379.371 0.818 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001571140270 952624495 /nfs/dbraw/zinc/62/44/95/952624495.db2.gz PKYHFJQSGSRJLS-GHMZBOCLSA-N -1 3 379.371 0.913 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001571140270 952624500 /nfs/dbraw/zinc/62/45/00/952624500.db2.gz PKYHFJQSGSRJLS-GHMZBOCLSA-N -1 3 379.371 0.913 20 0 GCADHM O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CC1(F)F ZINC001571140860 952629759 /nfs/dbraw/zinc/62/97/59/952629759.db2.gz UTIHRJNNNIIUSP-UWVGGRQHSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CC1(F)F ZINC001571140860 952629763 /nfs/dbraw/zinc/62/97/63/952629763.db2.gz UTIHRJNNNIIUSP-UWVGGRQHSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC(F)(F)C1 ZINC001571141684 952634863 /nfs/dbraw/zinc/63/48/63/952634863.db2.gz YYFMFJZKIJXIKD-LLVKDONJSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC(F)(F)C1 ZINC001571141684 952634865 /nfs/dbraw/zinc/63/48/65/952634865.db2.gz YYFMFJZKIJXIKD-LLVKDONJSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC(F)(F)C1 ZINC001571141685 952634881 /nfs/dbraw/zinc/63/48/81/952634881.db2.gz YYFMFJZKIJXIKD-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC(F)(F)C1 ZINC001571141685 952634885 /nfs/dbraw/zinc/63/48/85/952634885.db2.gz YYFMFJZKIJXIKD-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM Cn1nncc1NC(=O)COc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001571141969 952637770 /nfs/dbraw/zinc/63/77/70/952637770.db2.gz MCORPRAUIZQPQC-UHFFFAOYSA-N -1 3 379.178 0.775 20 0 GCADHM Cn1nncc1NC(=O)COc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001571141969 952637771 /nfs/dbraw/zinc/63/77/71/952637771.db2.gz MCORPRAUIZQPQC-UHFFFAOYSA-N -1 3 379.178 0.775 20 0 GCADHM O=S(=O)(c1cncc(-c2nnn[n-]2)c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001571142529 952643239 /nfs/dbraw/zinc/64/32/39/952643239.db2.gz UCCRHWFPQZIUCY-LSDHHAIUSA-N -1 3 378.458 0.823 20 0 GCADHM O=S(=O)(c1cncc(-c2nn[n-]n2)c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC001571142529 952643241 /nfs/dbraw/zinc/64/32/41/952643241.db2.gz UCCRHWFPQZIUCY-LSDHHAIUSA-N -1 3 378.458 0.823 20 0 GCADHM CN(C(=O)Cn1ccccc1=O)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571142610 952644254 /nfs/dbraw/zinc/64/42/54/952644254.db2.gz YDEQEPVEPYBOGA-UHFFFAOYSA-N -1 3 379.424 0.371 20 0 GCADHM CN(C(=O)Cn1ccccc1=O)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571142610 952644256 /nfs/dbraw/zinc/64/42/56/952644256.db2.gz YDEQEPVEPYBOGA-UHFFFAOYSA-N -1 3 379.424 0.371 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1 ZINC001571146064 952647345 /nfs/dbraw/zinc/64/73/45/952647345.db2.gz BOKUEVHMNSPZFU-YUELXQCFSA-N -1 3 379.428 0.693 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1 ZINC001571146064 952647349 /nfs/dbraw/zinc/64/73/49/952647349.db2.gz BOKUEVHMNSPZFU-YUELXQCFSA-N -1 3 379.428 0.693 20 0 GCADHM O=C(Cn1ccnc1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571146252 952647655 /nfs/dbraw/zinc/64/76/55/952647655.db2.gz FDANUOCNAFYANH-GOSISDBHSA-N -1 3 379.428 0.587 20 0 GCADHM O=C(Cn1ccnc1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571146252 952647660 /nfs/dbraw/zinc/64/76/60/952647660.db2.gz FDANUOCNAFYANH-GOSISDBHSA-N -1 3 379.428 0.587 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC2(C1)CCN(Cc1ncccn1)CC2 ZINC001571146367 952649175 /nfs/dbraw/zinc/64/91/75/952649175.db2.gz GSSVRXNERSKUTG-UHFFFAOYSA-N -1 3 379.428 0.723 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC2(C1)CCN(Cc1ncccn1)CC2 ZINC001571146367 952649178 /nfs/dbraw/zinc/64/91/78/952649178.db2.gz GSSVRXNERSKUTG-UHFFFAOYSA-N -1 3 379.428 0.723 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)[C@H]1CCn2ccnc2C1 ZINC001571146584 952650426 /nfs/dbraw/zinc/65/04/26/952650426.db2.gz JEFDJVJFYNKXSF-STQMWFEESA-N -1 3 379.428 0.416 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)[C@H]1CCn2ccnc2C1 ZINC001571146584 952650427 /nfs/dbraw/zinc/65/04/27/952650427.db2.gz JEFDJVJFYNKXSF-STQMWFEESA-N -1 3 379.428 0.416 20 0 GCADHM Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)c(C)n4)C[C@H]32)c1C ZINC001571146701 952651563 /nfs/dbraw/zinc/65/15/63/952651563.db2.gz LSLBUXTVHMCOGJ-VIKVFOODSA-N -1 3 379.428 0.775 20 0 GCADHM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)c1C ZINC001571146778 952651865 /nfs/dbraw/zinc/65/18/65/952651865.db2.gz BWWIMJCUXILDBS-SWLSCSKDSA-N -1 3 379.428 0.953 20 0 GCADHM Cc1[nH]nc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)c1C ZINC001571146778 952651868 /nfs/dbraw/zinc/65/18/68/952651868.db2.gz BWWIMJCUXILDBS-SWLSCSKDSA-N -1 3 379.428 0.953 20 0 GCADHM Cn1cc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001571146705 952651878 /nfs/dbraw/zinc/65/18/78/952651878.db2.gz LTBUJZAOVGGHMF-LRDDRELGSA-N -1 3 379.428 0.736 20 0 GCADHM Cn1cc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001571146705 952651885 /nfs/dbraw/zinc/65/18/85/952651885.db2.gz LTBUJZAOVGGHMF-LRDDRELGSA-N -1 3 379.428 0.736 20 0 GCADHM O=C(CCc1ncccn1)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571146832 952653121 /nfs/dbraw/zinc/65/31/21/952653121.db2.gz NLJXBHZHNJJSDO-ZDUSSCGKSA-N -1 3 379.428 0.945 20 0 GCADHM O=C(CCc1ncccn1)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571146832 952653124 /nfs/dbraw/zinc/65/31/24/952653124.db2.gz NLJXBHZHNJJSDO-ZDUSSCGKSA-N -1 3 379.428 0.945 20 0 GCADHM O=C(CCc1ncccn1)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571146831 952653170 /nfs/dbraw/zinc/65/31/70/952653170.db2.gz NLJXBHZHNJJSDO-CYBMUJFWSA-N -1 3 379.428 0.945 20 0 GCADHM O=C(CCc1ncccn1)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571146831 952653172 /nfs/dbraw/zinc/65/31/72/952653172.db2.gz NLJXBHZHNJJSDO-CYBMUJFWSA-N -1 3 379.428 0.945 20 0 GCADHM Cc1nc[nH]c1C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001571147009 952655192 /nfs/dbraw/zinc/65/51/92/952655192.db2.gz GMYAFOSMSUNPGK-XIKOKIGWSA-N -1 3 379.428 0.892 20 0 GCADHM Cc1nc[nH]c1C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001571147009 952655194 /nfs/dbraw/zinc/65/51/94/952655194.db2.gz GMYAFOSMSUNPGK-XIKOKIGWSA-N -1 3 379.428 0.892 20 0 GCADHM O=C([C@H]1CCc2cncn2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571147099 952656093 /nfs/dbraw/zinc/65/60/93/952656093.db2.gz SWHMBXDJVTXHPR-KBPBESRZSA-N -1 3 379.428 0.734 20 0 GCADHM O=C([C@H]1CCc2cncn2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571147099 952656096 /nfs/dbraw/zinc/65/60/96/952656096.db2.gz SWHMBXDJVTXHPR-KBPBESRZSA-N -1 3 379.428 0.734 20 0 GCADHM O=C(Cc1ncc[nH]1)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571147042 952656134 /nfs/dbraw/zinc/65/61/34/952656134.db2.gz QWZMWVBZJQIKST-OLZOCXBDSA-N -1 3 379.428 0.512 20 0 GCADHM O=C(Cc1ncc[nH]1)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571147042 952656139 /nfs/dbraw/zinc/65/61/39/952656139.db2.gz QWZMWVBZJQIKST-OLZOCXBDSA-N -1 3 379.428 0.512 20 0 GCADHM Cn1nc(C2CC2)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571147039 952656341 /nfs/dbraw/zinc/65/63/41/952656341.db2.gz QQZZPNMLVPOMOA-ZDUSSCGKSA-N -1 3 379.428 0.881 20 0 GCADHM Cn1nc(C2CC2)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571147039 952656344 /nfs/dbraw/zinc/65/63/44/952656344.db2.gz QQZZPNMLVPOMOA-ZDUSSCGKSA-N -1 3 379.428 0.881 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)n1C ZINC001571147088 952656423 /nfs/dbraw/zinc/65/64/23/952656423.db2.gz SQDZFMUXBLKNBR-UGFHNGPFSA-N -1 3 379.428 0.843 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)n1C ZINC001571147088 952656426 /nfs/dbraw/zinc/65/64/26/952656426.db2.gz SQDZFMUXBLKNBR-UGFHNGPFSA-N -1 3 379.428 0.843 20 0 GCADHM O=C(Cc1ncc[nH]1)N[C@]12CCC[C@H]1CN(c1ncccc1-c1nnn[n-]1)C2 ZINC001571147070 952656953 /nfs/dbraw/zinc/65/69/53/952656953.db2.gz SCPRKUXOMYVLFJ-SGTLLEGYSA-N -1 3 379.428 0.703 20 0 GCADHM O=C(Cc1ncc[nH]1)N[C@]12CCC[C@H]1CN(c1ncccc1-c1nn[n-]n1)C2 ZINC001571147070 952656961 /nfs/dbraw/zinc/65/69/61/952656961.db2.gz SCPRKUXOMYVLFJ-SGTLLEGYSA-N -1 3 379.428 0.703 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)CCc2ccncn2)C1 ZINC001571147554 952662682 /nfs/dbraw/zinc/66/26/82/952662682.db2.gz NPVRZGQCLOISTO-CQSZACIVSA-N -1 3 379.428 0.722 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)CCc2ccncn2)C1 ZINC001571147554 952662684 /nfs/dbraw/zinc/66/26/84/952662684.db2.gz NPVRZGQCLOISTO-CQSZACIVSA-N -1 3 379.428 0.722 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)cn1 ZINC001571148257 952666502 /nfs/dbraw/zinc/66/65/02/952666502.db2.gz XCZZQNIEKSDOCD-FOLVSLTJSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)cn1 ZINC001571148257 952666505 /nfs/dbraw/zinc/66/65/05/952666505.db2.gz XCZZQNIEKSDOCD-FOLVSLTJSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571151224 952673435 /nfs/dbraw/zinc/67/34/35/952673435.db2.gz NIRBZHJBFPHIRR-UHFFFAOYSA-N -1 3 379.446 0.187 20 0 GCADHM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571151224 952673437 /nfs/dbraw/zinc/67/34/37/952673437.db2.gz NIRBZHJBFPHIRR-UHFFFAOYSA-N -1 3 379.446 0.187 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001571151329 952674685 /nfs/dbraw/zinc/67/46/85/952674685.db2.gz OZLOARDXJNGGJP-DZGCQCFKSA-N -1 3 379.442 0.263 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001571151329 952674688 /nfs/dbraw/zinc/67/46/88/952674688.db2.gz OZLOARDXJNGGJP-DZGCQCFKSA-N -1 3 379.442 0.263 20 0 GCADHM O=C(N[C@@H](CO)[C@H](O)c1ccccn1)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001571154830 952690604 /nfs/dbraw/zinc/69/06/04/952690604.db2.gz BYVNZUNLDNAENE-HDEZJCGLSA-N -1 3 380.408 0.576 20 0 GCADHM O=C(N[C@@H](CO)[C@H](O)c1ccccn1)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001571154830 952690608 /nfs/dbraw/zinc/69/06/08/952690608.db2.gz BYVNZUNLDNAENE-HDEZJCGLSA-N -1 3 380.408 0.576 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCN(C(=O)c2ccccn2)CC1 ZINC001571155031 952691207 /nfs/dbraw/zinc/69/12/07/952691207.db2.gz FHJVOIDWGRGGHQ-UHFFFAOYSA-N -1 3 380.412 0.967 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCN(C(=O)c2ccccn2)CC1 ZINC001571155031 952691209 /nfs/dbraw/zinc/69/12/09/952691209.db2.gz FHJVOIDWGRGGHQ-UHFFFAOYSA-N -1 3 380.412 0.967 20 0 GCADHM C[C@@H]1CN(C(=O)COc2cccnc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571155017 952691784 /nfs/dbraw/zinc/69/17/84/952691784.db2.gz DTTYVXISBVWJJD-WBMJQRKESA-N -1 3 380.412 0.995 20 0 GCADHM C[C@@H]1CN(C(=O)COc2cccnc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571155017 952691788 /nfs/dbraw/zinc/69/17/88/952691788.db2.gz DTTYVXISBVWJJD-WBMJQRKESA-N -1 3 380.412 0.995 20 0 GCADHM CNC(=O)c1cccc(CN2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571155148 952693373 /nfs/dbraw/zinc/69/33/73/952693373.db2.gz JCIRHMNGMAQWQW-UHFFFAOYSA-N -1 3 380.412 0.169 20 0 GCADHM CNC(=O)c1cccc(CN2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571155148 952693375 /nfs/dbraw/zinc/69/33/75/952693375.db2.gz JCIRHMNGMAQWQW-UHFFFAOYSA-N -1 3 380.412 0.169 20 0 GCADHM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571155223 952693651 /nfs/dbraw/zinc/69/36/51/952693651.db2.gz LDTUKPSLHFDIEV-JCOFBHIZSA-N -1 3 380.405 0.280 20 0 GCADHM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571155223 952693658 /nfs/dbraw/zinc/69/36/58/952693658.db2.gz LDTUKPSLHFDIEV-JCOFBHIZSA-N -1 3 380.405 0.280 20 0 GCADHM CCc1cccnc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571155198 952693693 /nfs/dbraw/zinc/69/36/93/952693693.db2.gz KOASHZUABWKZDR-ZDUSSCGKSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccnc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571155198 952693694 /nfs/dbraw/zinc/69/36/94/952693694.db2.gz KOASHZUABWKZDR-ZDUSSCGKSA-N -1 3 380.412 0.797 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)cs1 ZINC001571155304 952694995 /nfs/dbraw/zinc/69/49/95/952694995.db2.gz NKPWMNOMTMGJGK-UHFFFAOYSA-N -1 3 380.411 0.588 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)cs1 ZINC001571155304 952694998 /nfs/dbraw/zinc/69/49/98/952694998.db2.gz NKPWMNOMTMGJGK-UHFFFAOYSA-N -1 3 380.411 0.588 20 0 GCADHM C[C@]12CN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)C[C@H]1CS(=O)(=O)C2 ZINC001571155326 952695524 /nfs/dbraw/zinc/69/55/24/952695524.db2.gz NXBUMCSGBLITNI-ZUZCIYMTSA-N -1 3 380.405 0.904 20 0 GCADHM C[C@]12CN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)C[C@H]1CS(=O)(=O)C2 ZINC001571155326 952695528 /nfs/dbraw/zinc/69/55/28/952695528.db2.gz NXBUMCSGBLITNI-ZUZCIYMTSA-N -1 3 380.405 0.904 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571155311 952695982 /nfs/dbraw/zinc/69/59/82/952695982.db2.gz NMJPUVVJZJYWQO-FZMZJTMJSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571155311 952695985 /nfs/dbraw/zinc/69/59/85/952695985.db2.gz NMJPUVVJZJYWQO-FZMZJTMJSA-N -1 3 380.412 0.552 20 0 GCADHM CN(C(=O)Cc1cccnc1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571155423 952696500 /nfs/dbraw/zinc/69/65/00/952696500.db2.gz RHWYJCYQYWVUEX-AWEZNQCLSA-N -1 3 380.412 0.505 20 0 GCADHM CN(C(=O)Cc1cccnc1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571155423 952696502 /nfs/dbraw/zinc/69/65/02/952696502.db2.gz RHWYJCYQYWVUEX-AWEZNQCLSA-N -1 3 380.412 0.505 20 0 GCADHM CN(C[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571155439 952697038 /nfs/dbraw/zinc/69/70/38/952697038.db2.gz RUGFEKPSYXNIIY-GFCCVEGCSA-N -1 3 380.412 0.961 20 0 GCADHM CN(C[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571155439 952697043 /nfs/dbraw/zinc/69/70/43/952697043.db2.gz RUGFEKPSYXNIIY-GFCCVEGCSA-N -1 3 380.412 0.961 20 0 GCADHM O=C(Cc1ccc(F)cn1)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571155516 952697916 /nfs/dbraw/zinc/69/79/16/952697916.db2.gz VFAQPFLXOCHJMK-HALDLXJZSA-N -1 3 380.387 0.589 20 0 GCADHM O=C(Cc1ccc(F)cn1)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571155516 952697922 /nfs/dbraw/zinc/69/79/22/952697922.db2.gz VFAQPFLXOCHJMK-HALDLXJZSA-N -1 3 380.387 0.589 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1cn(C)ccc1=O ZINC001571155727 952700262 /nfs/dbraw/zinc/70/02/62/952700262.db2.gz YNNHASYQEHZXPW-WCQYABFASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1cn(C)ccc1=O ZINC001571155727 952700266 /nfs/dbraw/zinc/70/02/66/952700266.db2.gz YNNHASYQEHZXPW-WCQYABFASA-N -1 3 380.412 0.676 20 0 GCADHM Cc1ccc(N2C[C@@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@]3(C)C2)nn1 ZINC001571156763 952704435 /nfs/dbraw/zinc/70/44/35/952704435.db2.gz JDFKLOYYCJEJCK-XIKOKIGWSA-N -1 3 379.428 0.892 20 0 GCADHM Cc1ccc(N2C[C@@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@]3(C)C2)nn1 ZINC001571156763 952704442 /nfs/dbraw/zinc/70/44/42/952704442.db2.gz JDFKLOYYCJEJCK-XIKOKIGWSA-N -1 3 379.428 0.892 20 0 GCADHM Cc1cnc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)nc1 ZINC001571156848 952705717 /nfs/dbraw/zinc/70/57/17/952705717.db2.gz LCQRIQHHPRRFSU-NFAWXSAZSA-N -1 3 379.428 0.829 20 0 GCADHM Cc1cnc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)nc1 ZINC001571156848 952705724 /nfs/dbraw/zinc/70/57/24/952705724.db2.gz LCQRIQHHPRRFSU-NFAWXSAZSA-N -1 3 379.428 0.829 20 0 GCADHM Cc1cccc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571157906 952707842 /nfs/dbraw/zinc/70/78/42/952707842.db2.gz CIDMDJMOGWEUSH-UHFFFAOYSA-N -1 3 380.412 0.837 20 0 GCADHM Cc1cccc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571157906 952707845 /nfs/dbraw/zinc/70/78/45/952707845.db2.gz CIDMDJMOGWEUSH-UHFFFAOYSA-N -1 3 380.412 0.837 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H](NC(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC001571157843 952708007 /nfs/dbraw/zinc/70/80/07/952708007.db2.gz AACIVEAPECCIPS-BETUJISGSA-N -1 3 380.412 0.642 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H](NC(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC001571157843 952708010 /nfs/dbraw/zinc/70/80/10/952708010.db2.gz AACIVEAPECCIPS-BETUJISGSA-N -1 3 380.412 0.642 20 0 GCADHM COc1cccnc1CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571157915 952708030 /nfs/dbraw/zinc/70/80/30/952708030.db2.gz CLKLSSGLRMOIAG-UHFFFAOYSA-N -1 3 380.412 0.557 20 0 GCADHM COc1cccnc1CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571157915 952708033 /nfs/dbraw/zinc/70/80/33/952708033.db2.gz CLKLSSGLRMOIAG-UHFFFAOYSA-N -1 3 380.412 0.557 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)c[nH]1 ZINC001571158450 952711749 /nfs/dbraw/zinc/71/17/49/952711749.db2.gz HWZIJWYTVAOXAH-TXEJJXNPSA-N -1 3 380.412 0.940 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)c[nH]1 ZINC001571158450 952711754 /nfs/dbraw/zinc/71/17/54/952711754.db2.gz HWZIJWYTVAOXAH-TXEJJXNPSA-N -1 3 380.412 0.940 20 0 GCADHM COc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571158335 952711790 /nfs/dbraw/zinc/71/17/90/952711790.db2.gz HQBXPGVFMQCOKI-LBPRGKRZSA-N -1 3 380.412 0.922 20 0 GCADHM COc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571158335 952711794 /nfs/dbraw/zinc/71/17/94/952711794.db2.gz HQBXPGVFMQCOKI-LBPRGKRZSA-N -1 3 380.412 0.922 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)cn1C ZINC001571158506 952712115 /nfs/dbraw/zinc/71/21/15/952712115.db2.gz JYRYZZAZTNIQAW-LBPRGKRZSA-N -1 3 380.412 0.278 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)cn1C ZINC001571158506 952712123 /nfs/dbraw/zinc/71/21/23/952712123.db2.gz JYRYZZAZTNIQAW-LBPRGKRZSA-N -1 3 380.412 0.278 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccn(C)c(=O)c2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571158480 952712326 /nfs/dbraw/zinc/71/23/26/952712326.db2.gz IZMXGSGATHDXHF-RISCZKNCSA-N -1 3 380.412 0.358 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccn(C)c(=O)c2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571158480 952712329 /nfs/dbraw/zinc/71/23/29/952712329.db2.gz IZMXGSGATHDXHF-RISCZKNCSA-N -1 3 380.412 0.358 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC001571158534 952712357 /nfs/dbraw/zinc/71/23/57/952712357.db2.gz KWPISVCLYYLYKI-OAHLLOKOSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC001571158534 952712362 /nfs/dbraw/zinc/71/23/62/952712362.db2.gz KWPISVCLYYLYKI-OAHLLOKOSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H](NC(=O)c3ccn(C)c(=O)c3)C2)n1 ZINC001571158722 952713916 /nfs/dbraw/zinc/71/39/16/952713916.db2.gz NJBABQQNBZVSNP-BETUJISGSA-N -1 3 380.412 0.642 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H](NC(=O)c3ccn(C)c(=O)c3)C2)n1 ZINC001571158722 952713918 /nfs/dbraw/zinc/71/39/18/952713918.db2.gz NJBABQQNBZVSNP-BETUJISGSA-N -1 3 380.412 0.642 20 0 GCADHM COc1ncc(C(=O)NC[C@H]2CCN2Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001571158988 952715571 /nfs/dbraw/zinc/71/55/71/952715571.db2.gz OQVPFRQAVVOHEW-OAHLLOKOSA-N -1 3 380.412 0.670 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3cccnn3)C2)cc1-c1nnn[n-]1 ZINC001571159086 952717563 /nfs/dbraw/zinc/71/75/63/952717563.db2.gz QCSPELNDJAWJSC-ZDUSSCGKSA-N -1 3 380.412 0.670 20 0 GCADHM COc1cccnc1CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571159340 952718473 /nfs/dbraw/zinc/71/84/73/952718473.db2.gz UVDHHGWQWMPQQJ-JOCQHMNTSA-N -1 3 380.412 0.967 20 0 GCADHM COc1cccnc1CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571159340 952718477 /nfs/dbraw/zinc/71/84/77/952718477.db2.gz UVDHHGWQWMPQQJ-JOCQHMNTSA-N -1 3 380.412 0.967 20 0 GCADHM Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001571159293 952718812 /nfs/dbraw/zinc/71/88/12/952718812.db2.gz UBEGLFQYHOMNAQ-AWEZNQCLSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001571159293 952718818 /nfs/dbraw/zinc/71/88/18/952718818.db2.gz UBEGLFQYHOMNAQ-AWEZNQCLSA-N -1 3 380.412 0.885 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)c1ccn(C)c(=O)c1 ZINC001571159336 952718927 /nfs/dbraw/zinc/71/89/27/952718927.db2.gz UTIDLXOLPQTLFW-IAQYHMDHSA-N -1 3 380.412 0.215 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)c1ccn(C)c(=O)c1 ZINC001571159336 952718928 /nfs/dbraw/zinc/71/89/28/952718928.db2.gz UTIDLXOLPQTLFW-IAQYHMDHSA-N -1 3 380.412 0.215 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)n2C)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571159465 952719272 /nfs/dbraw/zinc/71/92/72/952719272.db2.gz VMRAIOSLIPTYJA-YPMHNXCESA-N -1 3 380.412 0.358 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)n2C)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571159465 952719274 /nfs/dbraw/zinc/71/92/74/952719274.db2.gz VMRAIOSLIPTYJA-YPMHNXCESA-N -1 3 380.412 0.358 20 0 GCADHM Cc1cc(=O)c(C(=O)NC2CCN(c3ncccc3-c3nnn[n-]3)CC2)c[nH]1 ZINC001571159539 952719388 /nfs/dbraw/zinc/71/93/88/952719388.db2.gz XNBQGRDSBSDDGO-UHFFFAOYSA-N -1 3 380.412 0.657 20 0 GCADHM Cc1cc(=O)c(C(=O)NC2CCN(c3ncccc3-c3nn[n-]n3)CC2)c[nH]1 ZINC001571159539 952719390 /nfs/dbraw/zinc/71/93/90/952719390.db2.gz XNBQGRDSBSDDGO-UHFFFAOYSA-N -1 3 380.412 0.657 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)n1 ZINC001571159552 952720438 /nfs/dbraw/zinc/72/04/38/952720438.db2.gz XVWYFIOMGXTSHQ-ZFWWWQNUSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)n1 ZINC001571159552 952720442 /nfs/dbraw/zinc/72/04/42/952720442.db2.gz XVWYFIOMGXTSHQ-ZFWWWQNUSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1nc(C)c(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)o1 ZINC001571160052 952722702 /nfs/dbraw/zinc/72/27/02/952722702.db2.gz CAJSEBUMFONUTJ-ZSOGYDGISA-N -1 3 380.412 0.979 20 0 GCADHM Cc1nc(C)c(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)o1 ZINC001571160052 952722705 /nfs/dbraw/zinc/72/27/05/952722705.db2.gz CAJSEBUMFONUTJ-ZSOGYDGISA-N -1 3 380.412 0.979 20 0 GCADHM O=C(Cc1cccnc1)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571160040 952722816 /nfs/dbraw/zinc/72/28/16/952722816.db2.gz BRVGCCSBCZQMLT-UHFFFAOYSA-N -1 3 380.412 0.553 20 0 GCADHM O=C(Cc1cccnc1)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571160040 952722820 /nfs/dbraw/zinc/72/28/20/952722820.db2.gz BRVGCCSBCZQMLT-UHFFFAOYSA-N -1 3 380.412 0.553 20 0 GCADHM O=C(CCn1ccccc1=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571160293 952725372 /nfs/dbraw/zinc/72/53/72/952725372.db2.gz GTUQKCIGXGRAQQ-CYBMUJFWSA-N -1 3 380.412 0.527 20 0 GCADHM O=C(CCn1ccccc1=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571160293 952725374 /nfs/dbraw/zinc/72/53/74/952725374.db2.gz GTUQKCIGXGRAQQ-CYBMUJFWSA-N -1 3 380.412 0.527 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)c1cnccn1 ZINC001571160496 952726293 /nfs/dbraw/zinc/72/62/93/952726293.db2.gz ILFNNHNVQGLBKV-HNNXBMFYSA-N -1 3 380.412 0.288 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571160665 952727027 /nfs/dbraw/zinc/72/70/27/952727027.db2.gz LBPQHAUVWIQBPZ-CYBMUJFWSA-N -1 3 380.412 0.677 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571160665 952727032 /nfs/dbraw/zinc/72/70/32/952727032.db2.gz LBPQHAUVWIQBPZ-CYBMUJFWSA-N -1 3 380.412 0.677 20 0 GCADHM Cc1cnccc1CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571160660 952727634 /nfs/dbraw/zinc/72/76/34/952727634.db2.gz LAYXTBXAFLSMJC-UHFFFAOYSA-N -1 3 380.412 0.425 20 0 GCADHM Cc1cnccc1CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571160660 952727639 /nfs/dbraw/zinc/72/76/39/952727639.db2.gz LAYXTBXAFLSMJC-UHFFFAOYSA-N -1 3 380.412 0.425 20 0 GCADHM Cn1cccc(C(=O)NC[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c1=O ZINC001571160836 952728192 /nfs/dbraw/zinc/72/81/92/952728192.db2.gz MWDBOQNLGMSZGI-GFCCVEGCSA-N -1 3 380.412 0.217 20 0 GCADHM Cn1cccc(C(=O)NC[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1=O ZINC001571160836 952728195 /nfs/dbraw/zinc/72/81/95/952728195.db2.gz MWDBOQNLGMSZGI-GFCCVEGCSA-N -1 3 380.412 0.217 20 0 GCADHM Cc1cnccc1C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571160781 952728337 /nfs/dbraw/zinc/72/83/37/952728337.db2.gz LZKFEMDTNVGVHS-AWEZNQCLSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1cnccc1C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571160781 952728342 /nfs/dbraw/zinc/72/83/42/952728342.db2.gz LZKFEMDTNVGVHS-AWEZNQCLSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@H]2[C@@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001571160847 952728645 /nfs/dbraw/zinc/72/86/45/952728645.db2.gz MZVDLJHSKAXQGV-WFASDCNBSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@H]2[C@@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001571160847 952728651 /nfs/dbraw/zinc/72/86/51/952728651.db2.gz MZVDLJHSKAXQGV-WFASDCNBSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)nc1)Nc1ccc(CN2CCOCC2)cn1 ZINC001571161028 952729325 /nfs/dbraw/zinc/72/93/25/952729325.db2.gz OYIZCYFGMSUDRS-UHFFFAOYSA-N -1 3 380.412 0.670 20 0 GCADHM Cc1ncccc1C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161039 952729462 /nfs/dbraw/zinc/72/94/62/952729462.db2.gz PETNKJUUPCXXGY-GFCCVEGCSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1ncccc1C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161039 952729468 /nfs/dbraw/zinc/72/94/68/952729468.db2.gz PETNKJUUPCXXGY-GFCCVEGCSA-N -1 3 380.412 0.933 20 0 GCADHM Cn1ccc(=O)c(C(=O)NCC2CC(Nc3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571161000 952730012 /nfs/dbraw/zinc/73/00/12/952730012.db2.gz OLPNCEAOGJDZOG-UHFFFAOYSA-N -1 3 380.412 0.581 20 0 GCADHM Cn1ccc(=O)c(C(=O)NCC2CC(Nc3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571161000 952730018 /nfs/dbraw/zinc/73/00/18/952730018.db2.gz OLPNCEAOGJDZOG-UHFFFAOYSA-N -1 3 380.412 0.581 20 0 GCADHM Cc1ncccc1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571161199 952731159 /nfs/dbraw/zinc/73/11/59/952731159.db2.gz QZMMLGVLMZXOFP-AWEZNQCLSA-N -1 3 380.412 0.472 20 0 GCADHM Cc1ncccc1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571161199 952731163 /nfs/dbraw/zinc/73/11/63/952731163.db2.gz QZMMLGVLMZXOFP-AWEZNQCLSA-N -1 3 380.412 0.472 20 0 GCADHM O=C(Cc1cnoc1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571161081 952731210 /nfs/dbraw/zinc/73/12/10/952731210.db2.gz QDGIEXUZTFKFOL-CQDKDKBSSA-N -1 3 380.412 0.966 20 0 GCADHM O=C(Cc1cnoc1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571161081 952731212 /nfs/dbraw/zinc/73/12/12/952731212.db2.gz QDGIEXUZTFKFOL-CQDKDKBSSA-N -1 3 380.412 0.966 20 0 GCADHM NC(=O)c1cccc(CN2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)c1 ZINC001571161631 952734345 /nfs/dbraw/zinc/73/43/45/952734345.db2.gz ZEOZTQQJWJLSAZ-UHFFFAOYSA-N -1 3 380.412 0.252 20 0 GCADHM NC(=O)c1cccc(CN2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)c1 ZINC001571161631 952734347 /nfs/dbraw/zinc/73/43/47/952734347.db2.gz ZEOZTQQJWJLSAZ-UHFFFAOYSA-N -1 3 380.412 0.252 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)[nH]n1 ZINC001571162078 952738962 /nfs/dbraw/zinc/73/89/62/952738962.db2.gz JJTFFUHKPHQOAC-OLZOCXBDSA-N -1 3 380.416 0.572 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)[nH]n1 ZINC001571162078 952738965 /nfs/dbraw/zinc/73/89/65/952738965.db2.gz JJTFFUHKPHQOAC-OLZOCXBDSA-N -1 3 380.416 0.572 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571162308 952742266 /nfs/dbraw/zinc/74/22/66/952742266.db2.gz PYEPPNZEVXUCLV-KKOKHZNYSA-N -1 3 380.416 0.267 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571162308 952742270 /nfs/dbraw/zinc/74/22/70/952742270.db2.gz PYEPPNZEVXUCLV-KKOKHZNYSA-N -1 3 380.416 0.267 20 0 GCADHM CN(c1cncc(-c2nnn[n-]2)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001571162648 952745005 /nfs/dbraw/zinc/74/50/05/952745005.db2.gz XGGFYQRAXONLGS-IJLUTSLNSA-N -1 3 380.416 0.221 20 0 GCADHM CN(c1cncc(-c2nn[n-]n2)n1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001571162648 952745007 /nfs/dbraw/zinc/74/50/07/952745007.db2.gz XGGFYQRAXONLGS-IJLUTSLNSA-N -1 3 380.416 0.221 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571162682 952745397 /nfs/dbraw/zinc/74/53/97/952745397.db2.gz XUUAJRQURLZGIJ-RTXFEEFZSA-N -1 3 380.416 0.157 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571162664 952745506 /nfs/dbraw/zinc/74/55/06/952745506.db2.gz XLDQZLPXGBPTIR-MNOVXSKESA-N -1 3 380.416 0.597 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571162664 952745509 /nfs/dbraw/zinc/74/55/09/952745509.db2.gz XLDQZLPXGBPTIR-MNOVXSKESA-N -1 3 380.416 0.597 20 0 GCADHM O=C(Cn1cncn1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571164992 952746034 /nfs/dbraw/zinc/74/60/34/952746034.db2.gz AFLWBGADUQPHGF-SUMWQHHRSA-N -1 3 380.416 0.171 20 0 GCADHM O=C(Cn1cncn1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571164992 952746038 /nfs/dbraw/zinc/74/60/38/952746038.db2.gz AFLWBGADUQPHGF-SUMWQHHRSA-N -1 3 380.416 0.171 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165156 952748754 /nfs/dbraw/zinc/74/87/54/952748754.db2.gz DKAPJONQHHVHHI-JQWIXIFHSA-N -1 3 380.416 0.645 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165156 952748757 /nfs/dbraw/zinc/74/87/57/952748757.db2.gz DKAPJONQHHVHHI-JQWIXIFHSA-N -1 3 380.416 0.645 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nnn[n-]2)c1N ZINC001571165182 952748886 /nfs/dbraw/zinc/74/88/86/952748886.db2.gz FEMVXRAWAGGAFE-WQAKAFBOSA-N -1 3 380.416 0.117 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nn[n-]n2)c1N ZINC001571165182 952748888 /nfs/dbraw/zinc/74/88/88/952748888.db2.gz FEMVXRAWAGGAFE-WQAKAFBOSA-N -1 3 380.416 0.117 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C23CCC3)nn1 ZINC001571165753 952754308 /nfs/dbraw/zinc/75/43/08/952754308.db2.gz JREJOTKPKYXYDO-CHWSQXEVSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C23CCC3)nn1 ZINC001571165753 952754323 /nfs/dbraw/zinc/75/43/23/952754323.db2.gz JREJOTKPKYXYDO-CHWSQXEVSA-N -1 3 380.416 0.543 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001571165797 952754483 /nfs/dbraw/zinc/75/44/83/952754483.db2.gz LAZHACLUCDSUEM-NEPJUHHUSA-N -1 3 380.416 0.192 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nnn[n-]4)nc2)C3)n1 ZINC001571166125 952758236 /nfs/dbraw/zinc/75/82/36/952758236.db2.gz OGBCERIMCVHORZ-GVXVVHGQSA-N -1 3 380.416 0.178 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nn[n-]n4)nc2)C3)n1 ZINC001571166125 952758239 /nfs/dbraw/zinc/75/82/39/952758239.db2.gz OGBCERIMCVHORZ-GVXVVHGQSA-N -1 3 380.416 0.178 20 0 GCADHM Cc1ncc(C(=O)NC2CC3(C2)CC(Nc2cnc(-c4nnn[n-]4)cn2)C3)[nH]1 ZINC001571166380 952761011 /nfs/dbraw/zinc/76/10/11/952761011.db2.gz RFEVDMJAXYBAIP-UHFFFAOYSA-N -1 3 380.416 0.841 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571166478 952762335 /nfs/dbraw/zinc/76/23/35/952762335.db2.gz SGDKVQWFFUWZKB-STQMWFEESA-N -1 3 380.416 0.131 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571166478 952762339 /nfs/dbraw/zinc/76/23/39/952762339.db2.gz SGDKVQWFFUWZKB-STQMWFEESA-N -1 3 380.416 0.131 20 0 GCADHM CO[C@@]1(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCS(=O)(=O)C1 ZINC001571166832 952765219 /nfs/dbraw/zinc/76/52/19/952765219.db2.gz QHWZKHILWMXFGQ-OAHLLOKOSA-N -1 3 380.430 0.500 20 0 GCADHM CO[C@@]1(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCS(=O)(=O)C1 ZINC001571166832 952765222 /nfs/dbraw/zinc/76/52/22/952765222.db2.gz QHWZKHILWMXFGQ-OAHLLOKOSA-N -1 3 380.430 0.500 20 0 GCADHM O=C(Cn1cncn1)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001571166834 952765253 /nfs/dbraw/zinc/76/52/53/952765253.db2.gz XJOOVDHHEALCTQ-BETUJISGSA-N -1 3 380.416 0.123 20 0 GCADHM O=C(Cn1cncn1)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001571166834 952765257 /nfs/dbraw/zinc/76/52/57/952765257.db2.gz XJOOVDHHEALCTQ-BETUJISGSA-N -1 3 380.416 0.123 20 0 GCADHM CCOc1cnc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571169943 952780313 /nfs/dbraw/zinc/78/03/13/952780313.db2.gz AFRAZLPBOBOOHT-LLVKDONJSA-N -1 3 381.400 0.777 20 0 GCADHM CCOc1cnc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571169943 952780321 /nfs/dbraw/zinc/78/03/21/952780321.db2.gz AFRAZLPBOBOOHT-LLVKDONJSA-N -1 3 381.400 0.777 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170031 952781506 /nfs/dbraw/zinc/78/15/06/952781506.db2.gz CRCJFWZTSFYBBR-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170031 952781510 /nfs/dbraw/zinc/78/15/10/952781510.db2.gz CRCJFWZTSFYBBR-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001571169962 952781529 /nfs/dbraw/zinc/78/15/29/952781529.db2.gz APXUWXOAUJQQQK-KRWDZBQOSA-N -1 3 381.400 0.722 20 0 GCADHM COc1ccccc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571170125 952783930 /nfs/dbraw/zinc/78/39/30/952783930.db2.gz DILZAZDXCBZVLD-LBPRGKRZSA-N -1 3 381.396 0.848 20 0 GCADHM COc1ccccc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571170125 952783931 /nfs/dbraw/zinc/78/39/31/952783931.db2.gz DILZAZDXCBZVLD-LBPRGKRZSA-N -1 3 381.396 0.848 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571170196 952784059 /nfs/dbraw/zinc/78/40/59/952784059.db2.gz FWZYVQBFTATQQC-LBPRGKRZSA-N -1 3 381.400 0.308 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571170196 952784061 /nfs/dbraw/zinc/78/40/61/952784061.db2.gz FWZYVQBFTATQQC-LBPRGKRZSA-N -1 3 381.400 0.308 20 0 GCADHM CCn1nc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)ccc1=O ZINC001571170372 952784620 /nfs/dbraw/zinc/78/46/20/952784620.db2.gz HSSQLXCFVUQACW-GFCCVEGCSA-N -1 3 381.400 0.165 20 0 GCADHM CCn1nc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)ccc1=O ZINC001571170372 952784623 /nfs/dbraw/zinc/78/46/23/952784623.db2.gz HSSQLXCFVUQACW-GFCCVEGCSA-N -1 3 381.400 0.165 20 0 GCADHM Cc1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001571170429 952786290 /nfs/dbraw/zinc/78/62/90/952786290.db2.gz JQBSMEAVARALTD-IMRBUKKESA-N -1 3 381.375 0.364 20 0 GCADHM Cc1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001571170429 952786296 /nfs/dbraw/zinc/78/62/96/952786296.db2.gz JQBSMEAVARALTD-IMRBUKKESA-N -1 3 381.375 0.364 20 0 GCADHM CN(C[C@H]1CCN1CCO[C@H]1CC1(F)F)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170658 952788190 /nfs/dbraw/zinc/78/81/90/952788190.db2.gz KDOGLQBSEGQDNK-YPMHNXCESA-N -1 3 381.387 0.765 20 0 GCADHM CN(C[C@H]1CCN1CCO[C@H]1CC1(F)F)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170658 952788195 /nfs/dbraw/zinc/78/81/95/952788195.db2.gz KDOGLQBSEGQDNK-YPMHNXCESA-N -1 3 381.387 0.765 20 0 GCADHM CCc1ncncc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571171059 952790836 /nfs/dbraw/zinc/79/08/36/952790836.db2.gz MXLJGOMHLWJJHJ-LLVKDONJSA-N -1 3 381.400 0.192 20 0 GCADHM CCc1ncncc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571171059 952790839 /nfs/dbraw/zinc/79/08/39/952790839.db2.gz MXLJGOMHLWJJHJ-LLVKDONJSA-N -1 3 381.400 0.192 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571171616 952795140 /nfs/dbraw/zinc/79/51/40/952795140.db2.gz UCMRFTIKFJFJMO-PWSUYJOCSA-N -1 3 381.400 0.578 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571171616 952795146 /nfs/dbraw/zinc/79/51/46/952795146.db2.gz UCMRFTIKFJFJMO-PWSUYJOCSA-N -1 3 381.400 0.578 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)c1ncccn1 ZINC001571171631 952795200 /nfs/dbraw/zinc/79/52/00/952795200.db2.gz UKMQULACJUGWKB-GFCCVEGCSA-N -1 3 381.400 0.265 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)c1ncccn1 ZINC001571171631 952795205 /nfs/dbraw/zinc/79/52/05/952795205.db2.gz UKMQULACJUGWKB-GFCCVEGCSA-N -1 3 381.400 0.265 20 0 GCADHM O=C(c1cc2n(n1)CCC[C@H]2O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571171789 952797256 /nfs/dbraw/zinc/79/72/56/952797256.db2.gz WFOBVAKWXDMMIV-MRXNPFEDSA-N -1 3 381.396 0.794 20 0 GCADHM O=C(c1cn[nH]n1)N1CCCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571172396 952806824 /nfs/dbraw/zinc/80/68/24/952806824.db2.gz UWCWHMRGEDTBFS-UHFFFAOYSA-N -1 3 380.825 0.447 20 0 GCADHM O=C(COc1cccc(Br)c1-c1nnn[n-]1)NN1CN=NC1=O ZINC001571172384 952806906 /nfs/dbraw/zinc/80/69/06/952806906.db2.gz UQFWAXNFBXXICM-UHFFFAOYSA-N -1 3 381.150 0.075 20 0 GCADHM O=C(COc1cccc(Br)c1-c1nn[n-]n1)NN1CN=NC1=O ZINC001571172384 952806911 /nfs/dbraw/zinc/80/69/11/952806911.db2.gz UQFWAXNFBXXICM-UHFFFAOYSA-N -1 3 381.150 0.075 20 0 GCADHM COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571172823 952808560 /nfs/dbraw/zinc/80/85/60/952808560.db2.gz YJTOSVHVQYETIL-GXSJLCMTSA-N -1 3 380.792 0.756 20 0 GCADHM COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571172823 952808566 /nfs/dbraw/zinc/80/85/66/952808566.db2.gz YJTOSVHVQYETIL-GXSJLCMTSA-N -1 3 380.792 0.756 20 0 GCADHM COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571172825 952810044 /nfs/dbraw/zinc/81/00/44/952810044.db2.gz YJTOSVHVQYETIL-MWLCHTKSSA-N -1 3 380.792 0.756 20 0 GCADHM COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571172825 952810050 /nfs/dbraw/zinc/81/00/50/952810050.db2.gz YJTOSVHVQYETIL-MWLCHTKSSA-N -1 3 380.792 0.756 20 0 GCADHM COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571172826 952810182 /nfs/dbraw/zinc/81/01/82/952810182.db2.gz YJTOSVHVQYETIL-ONGXEEELSA-N -1 3 380.792 0.756 20 0 GCADHM COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571172826 952810188 /nfs/dbraw/zinc/81/01/88/952810188.db2.gz YJTOSVHVQYETIL-ONGXEEELSA-N -1 3 380.792 0.756 20 0 GCADHM Cc1c[nH]nc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001571174597 952811307 /nfs/dbraw/zinc/81/13/07/952811307.db2.gz BKVMLUFARWVTHO-MDZLAQPJSA-N -1 3 381.400 0.402 20 0 GCADHM Cc1c[nH]nc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571174597 952811313 /nfs/dbraw/zinc/81/13/13/952811313.db2.gz BKVMLUFARWVTHO-MDZLAQPJSA-N -1 3 381.400 0.402 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC2CC(N(C)C(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001571174593 952811643 /nfs/dbraw/zinc/81/16/43/952811643.db2.gz BFIMHVJCWABYBM-UHFFFAOYSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC2CC(N(C)C(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001571174593 952811648 /nfs/dbraw/zinc/81/16/48/952811648.db2.gz BFIMHVJCWABYBM-UHFFFAOYSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)ncn1 ZINC001571174667 952812728 /nfs/dbraw/zinc/81/27/28/952812728.db2.gz DVHQXNNBNJNPRT-LBPRGKRZSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)ncn1 ZINC001571174667 952812733 /nfs/dbraw/zinc/81/27/33/952812733.db2.gz DVHQXNNBNJNPRT-LBPRGKRZSA-N -1 3 381.400 0.280 20 0 GCADHM COc1cnc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571174758 952814685 /nfs/dbraw/zinc/81/46/85/952814685.db2.gz HKHUQEQDCZMQQF-NSHDSACASA-N -1 3 381.400 0.635 20 0 GCADHM COc1cnc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571174758 952814692 /nfs/dbraw/zinc/81/46/92/952814692.db2.gz HKHUQEQDCZMQQF-NSHDSACASA-N -1 3 381.400 0.635 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@H]2C)n1 ZINC001571174810 952814847 /nfs/dbraw/zinc/81/48/47/952814847.db2.gz IYQBBMRFZBLSKN-GWCFXTLKSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@H]2C)n1 ZINC001571174810 952814854 /nfs/dbraw/zinc/81/48/54/952814854.db2.gz IYQBBMRFZBLSKN-GWCFXTLKSA-N -1 3 381.400 0.781 20 0 GCADHM COc1nccc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571175145 952818313 /nfs/dbraw/zinc/81/83/13/952818313.db2.gz QRCGTTSHXGERLI-UHFFFAOYSA-N -1 3 381.400 0.681 20 0 GCADHM COc1nccc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571175145 952818322 /nfs/dbraw/zinc/81/83/22/952818322.db2.gz QRCGTTSHXGERLI-UHFFFAOYSA-N -1 3 381.400 0.681 20 0 GCADHM O=C(N[C@@H]1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1)c1cn[nH]c(=O)c1 ZINC001571175314 952819030 /nfs/dbraw/zinc/81/90/30/952819030.db2.gz ALOPOGCFRBFMLK-ZWNOBZJWSA-N -1 3 381.400 0.768 20 0 GCADHM O=C(N[C@@H]1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1)c1cn[nH]c(=O)c1 ZINC001571175314 952819035 /nfs/dbraw/zinc/81/90/35/952819035.db2.gz ALOPOGCFRBFMLK-ZWNOBZJWSA-N -1 3 381.400 0.768 20 0 GCADHM COc1ncc(C(=O)N2CCC(Nc3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC001571175330 952819473 /nfs/dbraw/zinc/81/94/73/952819473.db2.gz STPLFLJSKGCKTD-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM COc1ncc(C(=O)N2CCC(Nc3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC001571175330 952819477 /nfs/dbraw/zinc/81/94/77/952819477.db2.gz STPLFLJSKGCKTD-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)nn1 ZINC001571175288 952819776 /nfs/dbraw/zinc/81/97/76/952819776.db2.gz RRDVNXBXQXVCBL-GFCCVEGCSA-N -1 3 381.400 0.246 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)nn1 ZINC001571175288 952819781 /nfs/dbraw/zinc/81/97/81/952819781.db2.gz RRDVNXBXQXVCBL-GFCCVEGCSA-N -1 3 381.400 0.246 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001571175625 952823294 /nfs/dbraw/zinc/82/32/94/952823294.db2.gz XMAHOUQYAWDHFN-NSHDSACASA-N -1 3 381.400 0.040 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001571175625 952823297 /nfs/dbraw/zinc/82/32/97/952823297.db2.gz XMAHOUQYAWDHFN-NSHDSACASA-N -1 3 381.400 0.040 20 0 GCADHM COc1ncc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571175644 952823336 /nfs/dbraw/zinc/82/33/36/952823336.db2.gz YEYIPLHOSNQBDA-NSHDSACASA-N -1 3 381.400 0.635 20 0 GCADHM COc1ncc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571175644 952823339 /nfs/dbraw/zinc/82/33/39/952823339.db2.gz YEYIPLHOSNQBDA-NSHDSACASA-N -1 3 381.400 0.635 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3cc4n(n3)CCO4)C2)ccc1-c1nnn[n-]1 ZINC001571175654 952823875 /nfs/dbraw/zinc/82/38/75/952823875.db2.gz DFGQQIIRWOWDJU-PHIMTYICSA-N -1 3 381.400 0.532 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3cc4n(n3)CCO4)C2)ccc1-c1nn[n-]n1 ZINC001571175654 952823882 /nfs/dbraw/zinc/82/38/82/952823882.db2.gz DFGQQIIRWOWDJU-PHIMTYICSA-N -1 3 381.400 0.532 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)ccc1-c1nnn[n-]1 ZINC001571175705 952824939 /nfs/dbraw/zinc/82/49/39/952824939.db2.gz FOESJCMFRPQKDJ-LLVKDONJSA-N -1 3 381.400 0.324 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)ccc1-c1nn[n-]n1 ZINC001571175705 952824944 /nfs/dbraw/zinc/82/49/44/952824944.db2.gz FOESJCMFRPQKDJ-LLVKDONJSA-N -1 3 381.400 0.324 20 0 GCADHM Cn1nc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)ccc1=O ZINC001571175725 952825025 /nfs/dbraw/zinc/82/50/25/952825025.db2.gz GIVUDYOFQCKDOW-GFCCVEGCSA-N -1 3 381.400 0.072 20 0 GCADHM Cn1nc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)ccc1=O ZINC001571175725 952825029 /nfs/dbraw/zinc/82/50/29/952825029.db2.gz GIVUDYOFQCKDOW-GFCCVEGCSA-N -1 3 381.400 0.072 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnnc1 ZINC001571175708 952825586 /nfs/dbraw/zinc/82/55/86/952825586.db2.gz FQUPIPQPXUNTIT-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnnc1 ZINC001571175708 952825596 /nfs/dbraw/zinc/82/55/96/952825596.db2.gz FQUPIPQPXUNTIT-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM Cc1cnc(C(=O)N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cn1 ZINC001571176090 952828184 /nfs/dbraw/zinc/82/81/84/952828184.db2.gz KSRLLTDLPZPDKY-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1cnc(C(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)cn1 ZINC001571176090 952828190 /nfs/dbraw/zinc/82/81/90/952828190.db2.gz KSRLLTDLPZPDKY-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001571175956 952828256 /nfs/dbraw/zinc/82/82/56/952828256.db2.gz JNAYTONYUZEWJN-GFCCVEGCSA-N -1 3 381.400 0.405 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571175956 952828262 /nfs/dbraw/zinc/82/82/62/952828262.db2.gz JNAYTONYUZEWJN-GFCCVEGCSA-N -1 3 381.400 0.405 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccnnc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571176137 952828973 /nfs/dbraw/zinc/82/89/73/952828973.db2.gz MGLJAMDNVFXRBR-CHWSQXEVSA-N -1 3 381.400 0.456 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccnnc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571176137 952828975 /nfs/dbraw/zinc/82/89/75/952828975.db2.gz MGLJAMDNVFXRBR-CHWSQXEVSA-N -1 3 381.400 0.456 20 0 GCADHM Cn1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)c[nH]c1=O ZINC001571176163 952829557 /nfs/dbraw/zinc/82/95/57/952829557.db2.gz MXPQAKAUISYOBN-WQAKAFBOSA-N -1 3 381.400 0.241 20 0 GCADHM Cn1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)c[nH]c1=O ZINC001571176163 952829559 /nfs/dbraw/zinc/82/95/59/952829559.db2.gz MXPQAKAUISYOBN-WQAKAFBOSA-N -1 3 381.400 0.241 20 0 GCADHM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2)c1cnon1 ZINC001571176120 952829844 /nfs/dbraw/zinc/82/98/44/952829844.db2.gz LTEPLEYSIVSHJH-RHSMWYFYSA-N -1 3 381.400 0.824 20 0 GCADHM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2)c1cnon1 ZINC001571176120 952829850 /nfs/dbraw/zinc/82/98/50/952829850.db2.gz LTEPLEYSIVSHJH-RHSMWYFYSA-N -1 3 381.400 0.824 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1ccnnc1 ZINC001571176362 952830531 /nfs/dbraw/zinc/83/05/31/952830531.db2.gz QOINTVRIXGMUHI-UHFFFAOYSA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1ccnnc1 ZINC001571176362 952830535 /nfs/dbraw/zinc/83/05/35/952830535.db2.gz QOINTVRIXGMUHI-UHFFFAOYSA-N -1 3 381.400 0.267 20 0 GCADHM Cc1ccnc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571176369 952831076 /nfs/dbraw/zinc/83/10/76/952831076.db2.gz QRFGCVHLZHQDJP-LBPRGKRZSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1ccnc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571176369 952831081 /nfs/dbraw/zinc/83/10/81/952831081.db2.gz QRFGCVHLZHQDJP-LBPRGKRZSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571176390 952831198 /nfs/dbraw/zinc/83/11/98/952831198.db2.gz QXUCDLICUREVDM-SKDRFNHKSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571176390 952831202 /nfs/dbraw/zinc/83/12/02/952831202.db2.gz QXUCDLICUREVDM-SKDRFNHKSA-N -1 3 381.400 0.326 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cccnn2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571176466 952831521 /nfs/dbraw/zinc/83/15/21/952831521.db2.gz RDYQRKIEYSLNTQ-WDEREUQCSA-N -1 3 381.400 0.313 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cccnn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571176466 952831525 /nfs/dbraw/zinc/83/15/25/952831525.db2.gz RDYQRKIEYSLNTQ-WDEREUQCSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1nnccc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571176523 952831840 /nfs/dbraw/zinc/83/18/40/952831840.db2.gz SLCKCGXEVJGTRG-ZWNOBZJWSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571176523 952831846 /nfs/dbraw/zinc/83/18/46/952831846.db2.gz SLCKCGXEVJGTRG-ZWNOBZJWSA-N -1 3 381.400 0.326 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2)c1ncc[nH]1 ZINC001571176482 952831981 /nfs/dbraw/zinc/83/19/81/952831981.db2.gz RQMCBQZLUADQRI-SJCJKPOMSA-N -1 3 381.400 0.485 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2)c1ncc[nH]1 ZINC001571176482 952831988 /nfs/dbraw/zinc/83/19/88/952831988.db2.gz RQMCBQZLUADQRI-SJCJKPOMSA-N -1 3 381.400 0.485 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2)c1ncc[nH]1 ZINC001571176481 952832160 /nfs/dbraw/zinc/83/21/60/952832160.db2.gz RQMCBQZLUADQRI-PXAZEXFGSA-N -1 3 381.400 0.485 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2)c1ncc[nH]1 ZINC001571176481 952832162 /nfs/dbraw/zinc/83/21/62/952832162.db2.gz RQMCBQZLUADQRI-PXAZEXFGSA-N -1 3 381.400 0.485 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571176596 952833896 /nfs/dbraw/zinc/83/38/96/952833896.db2.gz VPBAOXBFFFNGMY-KOLCDFICSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571176596 952833900 /nfs/dbraw/zinc/83/39/00/952833900.db2.gz VPBAOXBFFFNGMY-KOLCDFICSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)NCC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571176819 952834229 /nfs/dbraw/zinc/83/42/29/952834229.db2.gz YGJXZVBEHLOAOV-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1nnccc1C(=O)NCC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571176819 952834234 /nfs/dbraw/zinc/83/42/34/952834234.db2.gz YGJXZVBEHLOAOV-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1nccc(C(=O)N[C@H](C)C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571176623 952834677 /nfs/dbraw/zinc/83/46/77/952834677.db2.gz WHZWPCODEPKFMV-SECBINFHSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1nccc(C(=O)N[C@H](C)C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571176623 952834685 /nfs/dbraw/zinc/83/46/85/952834685.db2.gz WHZWPCODEPKFMV-SECBINFHSA-N -1 3 381.400 0.184 20 0 GCADHM O=C(N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176943 952835393 /nfs/dbraw/zinc/83/53/93/952835393.db2.gz ZWCDAJVKMKRUKT-PWSUYJOCSA-N -1 3 381.400 0.356 20 0 GCADHM O=C(N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176943 952835397 /nfs/dbraw/zinc/83/53/97/952835397.db2.gz ZWCDAJVKMKRUKT-PWSUYJOCSA-N -1 3 381.400 0.356 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C[C@@H](C)O1 ZINC001571178185 952836102 /nfs/dbraw/zinc/83/61/02/952836102.db2.gz AUBOAWYHJWBAJE-PWSUYJOCSA-N -1 3 381.414 0.126 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C[C@@H](C)O1 ZINC001571178185 952836108 /nfs/dbraw/zinc/83/61/08/952836108.db2.gz AUBOAWYHJWBAJE-PWSUYJOCSA-N -1 3 381.414 0.126 20 0 GCADHM COC(=O)[C@H]1C[C@@H](S(=O)(=O)NCc2ccc(-c3nnn[n-]3)c(OC)c2)C1 ZINC001571178391 952840450 /nfs/dbraw/zinc/84/04/50/952840450.db2.gz HLSQTJZJDQEALA-PHIMTYICSA-N -1 3 381.414 0.246 20 0 GCADHM COC(=O)[C@H]1C[C@@H](S(=O)(=O)NCc2ccc(-c3nn[n-]n3)c(OC)c2)C1 ZINC001571178391 952840455 /nfs/dbraw/zinc/84/04/55/952840455.db2.gz HLSQTJZJDQEALA-PHIMTYICSA-N -1 3 381.414 0.246 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@]2(C1)CN(c1ncccn1)CCO2 ZINC001571178565 952843042 /nfs/dbraw/zinc/84/30/42/952843042.db2.gz NCHWRMHCGWMCPN-QGZVFWFLSA-N -1 3 381.400 0.106 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@]2(C1)CN(c1ncccn1)CCO2 ZINC001571178565 952843049 /nfs/dbraw/zinc/84/30/49/952843049.db2.gz NCHWRMHCGWMCPN-QGZVFWFLSA-N -1 3 381.400 0.106 20 0 GCADHM O=C(c1cnccn1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571178584 952843325 /nfs/dbraw/zinc/84/33/25/952843325.db2.gz NRXSNUCFHGHTOC-CYBMUJFWSA-N -1 3 381.400 0.395 20 0 GCADHM O=C(c1cnccn1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571178584 952843332 /nfs/dbraw/zinc/84/33/32/952843332.db2.gz NRXSNUCFHGHTOC-CYBMUJFWSA-N -1 3 381.400 0.395 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C[C@H](O)Cc2ccccc2)C1 ZINC001571182894 952871204 /nfs/dbraw/zinc/87/12/04/952871204.db2.gz IWKHLIKIMJXRPC-MRXNPFEDSA-N -1 3 381.440 0.555 20 0 GCADHM C[C@@]12CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]1CN(C(=O)[C@H]1CC13CC3)C2 ZINC001571183358 952876122 /nfs/dbraw/zinc/87/61/22/952876122.db2.gz YHKSNNABRKGRFJ-VNBZBWLYSA-N -1 3 381.440 0.915 20 0 GCADHM C[C@@]12CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]1CN(C(=O)[C@H]1CC13CC3)C2 ZINC001571183358 952876125 /nfs/dbraw/zinc/87/61/25/952876125.db2.gz YHKSNNABRKGRFJ-VNBZBWLYSA-N -1 3 381.440 0.915 20 0 GCADHM CCc1cc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)n(C)n1 ZINC001571183852 952884981 /nfs/dbraw/zinc/88/49/81/952884981.db2.gz KYLRIYCVVRQNKN-UHFFFAOYSA-N -1 3 381.444 0.910 20 0 GCADHM CCc1cc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)n(C)n1 ZINC001571183852 952884985 /nfs/dbraw/zinc/88/49/85/952884985.db2.gz KYLRIYCVVRQNKN-UHFFFAOYSA-N -1 3 381.444 0.910 20 0 GCADHM CCc1c(C(=O)NC[C@H]2CCCN2c2ncccc2-c2nnn[n-]2)cnn1C ZINC001571183923 952885826 /nfs/dbraw/zinc/88/58/26/952885826.db2.gz MVSDZXZILUGCPB-GFCCVEGCSA-N -1 3 381.444 0.956 20 0 GCADHM CCc1c(C(=O)NC[C@H]2CCCN2c2ncccc2-c2nn[n-]n2)cnn1C ZINC001571183923 952885831 /nfs/dbraw/zinc/88/58/31/952885831.db2.gz MVSDZXZILUGCPB-GFCCVEGCSA-N -1 3 381.444 0.956 20 0 GCADHM CCc1c[nH]c(CC(=O)N2CCCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC001571184207 952889553 /nfs/dbraw/zinc/88/95/53/952889553.db2.gz TUIKHMSIBAHGBA-UHFFFAOYSA-N -1 3 381.444 0.829 20 0 GCADHM CCc1c[nH]c(CC(=O)N2CCCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC001571184207 952889558 /nfs/dbraw/zinc/88/95/58/952889558.db2.gz TUIKHMSIBAHGBA-UHFFFAOYSA-N -1 3 381.444 0.829 20 0 GCADHM C[C@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571184237 952889754 /nfs/dbraw/zinc/88/97/54/952889754.db2.gz UMGHJKUTBPFODJ-SWLSCSKDSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571184237 952889758 /nfs/dbraw/zinc/88/97/58/952889758.db2.gz UMGHJKUTBPFODJ-SWLSCSKDSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571184299 952890344 /nfs/dbraw/zinc/89/03/44/952890344.db2.gz VSZZBSMOHCXXSC-OCCSQVGLSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571184299 952890352 /nfs/dbraw/zinc/89/03/52/952890352.db2.gz VSZZBSMOHCXXSC-OCCSQVGLSA-N -1 3 381.444 0.887 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571184644 952895608 /nfs/dbraw/zinc/89/56/08/952895608.db2.gz CEJLIOYNOOVKDT-CYBMUJFWSA-N -1 3 381.444 0.981 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571184644 952895614 /nfs/dbraw/zinc/89/56/14/952895614.db2.gz CEJLIOYNOOVKDT-CYBMUJFWSA-N -1 3 381.444 0.981 20 0 GCADHM Cc1c(C(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CC2(C)C)cnn1C ZINC001571185037 952900280 /nfs/dbraw/zinc/90/02/80/952900280.db2.gz HBECUCLKVISQNK-HNNXBMFYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1c(C(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CC2(C)C)cnn1C ZINC001571185037 952900285 /nfs/dbraw/zinc/90/02/85/952900285.db2.gz HBECUCLKVISQNK-HNNXBMFYSA-N -1 3 381.444 0.948 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cncn2C)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571185534 952902122 /nfs/dbraw/zinc/90/21/22/952902122.db2.gz MXWHJBACXRGZFY-CYBMUJFWSA-N -1 3 381.444 0.984 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cncn2C)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571185534 952902125 /nfs/dbraw/zinc/90/21/25/952902125.db2.gz MXWHJBACXRGZFY-CYBMUJFWSA-N -1 3 381.444 0.984 20 0 GCADHM CCn1nc(C)c(C(=O)N(C)C2CN(Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571186639 952907946 /nfs/dbraw/zinc/90/79/46/952907946.db2.gz ZECANMWSNBRRIV-UHFFFAOYSA-N -1 3 381.444 0.743 20 0 GCADHM CCn1nc(C)c(C(=O)N(C)C2CN(Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571186639 952907949 /nfs/dbraw/zinc/90/79/49/952907949.db2.gz ZECANMWSNBRRIV-UHFFFAOYSA-N -1 3 381.444 0.743 20 0 GCADHM Cc1ccnn1CC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571187960 952910992 /nfs/dbraw/zinc/91/09/92/952910992.db2.gz DPMPWUCXDBIQPT-JSGCOSHPSA-N -1 3 381.444 0.973 20 0 GCADHM Cc1ccnn1CC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571187960 952910996 /nfs/dbraw/zinc/91/09/96/952910996.db2.gz DPMPWUCXDBIQPT-JSGCOSHPSA-N -1 3 381.444 0.973 20 0 GCADHM Cc1c(C(=O)N(C)[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)cnn1C ZINC001571188178 952912631 /nfs/dbraw/zinc/91/26/31/952912631.db2.gz HKSHDSJEKNWUKE-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1c(C(=O)N(C)[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)cnn1C ZINC001571188178 952912637 /nfs/dbraw/zinc/91/26/37/952912637.db2.gz HKSHDSJEKNWUKE-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571188344 952913360 /nfs/dbraw/zinc/91/33/60/952913360.db2.gz IYIKMIHVJOUZRU-UKRRQHHQSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)[C@@H]2C)c1 ZINC001571188344 952913363 /nfs/dbraw/zinc/91/33/63/952913363.db2.gz IYIKMIHVJOUZRU-UKRRQHHQSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001571188401 952914182 /nfs/dbraw/zinc/91/41/82/952914182.db2.gz AISKAMHJSGOOKY-IUODEOHRSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571188499 952916404 /nfs/dbraw/zinc/91/64/04/952916404.db2.gz CBJOXDBJEDXMDK-ZDUSSCGKSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001571188499 952916407 /nfs/dbraw/zinc/91/64/07/952916407.db2.gz CBJOXDBJEDXMDK-ZDUSSCGKSA-N -1 3 381.444 0.948 20 0 GCADHM Cn1ccc(CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571188596 952917310 /nfs/dbraw/zinc/91/73/10/952917310.db2.gz DZESADSHCSRUKR-AWEZNQCLSA-N -1 3 381.444 0.713 20 0 GCADHM Cn1ccc(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571188596 952917314 /nfs/dbraw/zinc/91/73/14/952917314.db2.gz DZESADSHCSRUKR-AWEZNQCLSA-N -1 3 381.444 0.713 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CC[C@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001571188819 952920315 /nfs/dbraw/zinc/92/03/15/952920315.db2.gz NHJAVDPASJFBOJ-JSGCOSHPSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CC[C@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001571188819 952920319 /nfs/dbraw/zinc/92/03/19/952920319.db2.gz NHJAVDPASJFBOJ-JSGCOSHPSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CC[C@@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001571188823 952920488 /nfs/dbraw/zinc/92/04/88/952920488.db2.gz NHJAVDPASJFBOJ-TZMCWYRMSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CC[C@@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001571188823 952920491 /nfs/dbraw/zinc/92/04/91/952920491.db2.gz NHJAVDPASJFBOJ-TZMCWYRMSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nc(N(C)C[C@H]2CCN(C(=O)Cn3cccn3)C2)ccc1-c1nnn[n-]1 ZINC001571189394 952929061 /nfs/dbraw/zinc/92/90/61/952929061.db2.gz QVQZEIKKJMLTOG-CQSZACIVSA-N -1 3 381.444 0.752 20 0 GCADHM Cc1nc(N(C)C[C@H]2CCN(C(=O)Cn3cccn3)C2)ccc1-c1nn[n-]n1 ZINC001571189394 952929065 /nfs/dbraw/zinc/92/90/65/952929065.db2.gz QVQZEIKKJMLTOG-CQSZACIVSA-N -1 3 381.444 0.752 20 0 GCADHM Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)nn1C ZINC001571189557 952930063 /nfs/dbraw/zinc/93/00/63/952930063.db2.gz XHMFGKYWSZXKLU-YCPHGPKFSA-N -1 3 381.444 0.772 20 0 GCADHM Cc1cc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)nn1C ZINC001571189557 952930071 /nfs/dbraw/zinc/93/00/71/952930071.db2.gz XHMFGKYWSZXKLU-YCPHGPKFSA-N -1 3 381.444 0.772 20 0 GCADHM Cc1cnn(CC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)c1 ZINC001571189548 952930863 /nfs/dbraw/zinc/93/08/63/952930863.db2.gz XDDIRQAOAMNRBX-UHFFFAOYSA-N -1 3 381.444 0.814 20 0 GCADHM Cc1cnn(CC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)c1 ZINC001571189548 952930869 /nfs/dbraw/zinc/93/08/69/952930869.db2.gz XDDIRQAOAMNRBX-UHFFFAOYSA-N -1 3 381.444 0.814 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@@H]2CCCN2C(=O)Cn2cccn2)n1 ZINC001571189507 952931319 /nfs/dbraw/zinc/93/13/19/952931319.db2.gz WLYGMTBLPQQPMP-AWEZNQCLSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@@H]2CCCN2C(=O)Cn2cccn2)n1 ZINC001571189507 952931324 /nfs/dbraw/zinc/93/13/24/952931324.db2.gz WLYGMTBLPQQPMP-AWEZNQCLSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ncc(C(=O)N(C)[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)n1C ZINC001571189583 952932416 /nfs/dbraw/zinc/93/24/16/952932416.db2.gz XTMLJKYORKGHSH-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1ncc(C(=O)N(C)[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)n1C ZINC001571189583 952932422 /nfs/dbraw/zinc/93/24/22/952932422.db2.gz XTMLJKYORKGHSH-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cn1ccnc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571189711 952933063 /nfs/dbraw/zinc/93/30/63/952933063.db2.gz SDKZYBMCGWFJBN-KGLIPLIRSA-N -1 3 381.444 0.807 20 0 GCADHM Cn1ccnc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571189711 952933069 /nfs/dbraw/zinc/93/30/69/952933069.db2.gz SDKZYBMCGWFJBN-KGLIPLIRSA-N -1 3 381.444 0.807 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2C[C@H](NC(=O)Cc3ccn(C)n3)C2)n1 ZINC001571189666 952933299 /nfs/dbraw/zinc/93/32/99/952933299.db2.gz ZYIVMLJNOFAPDN-MQMHXKEQSA-N -1 3 381.444 0.853 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2C[C@H](NC(=O)Cc3ccn(C)n3)C2)n1 ZINC001571189666 952933304 /nfs/dbraw/zinc/93/33/04/952933304.db2.gz ZYIVMLJNOFAPDN-MQMHXKEQSA-N -1 3 381.444 0.853 20 0 GCADHM Cc1nn(C)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571189694 952933877 /nfs/dbraw/zinc/93/38/77/952933877.db2.gz RUDWZPQRQMENHH-YCPHGPKFSA-N -1 3 381.444 0.772 20 0 GCADHM Cc1nn(C)cc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571189694 952933888 /nfs/dbraw/zinc/93/38/88/952933888.db2.gz RUDWZPQRQMENHH-YCPHGPKFSA-N -1 3 381.444 0.772 20 0 GCADHM Cn1ccc(CC(=O)N2CC[C@](C)(CNc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571189811 952935246 /nfs/dbraw/zinc/93/52/46/952935246.db2.gz VSOLVOJHQGCZQL-GOSISDBHSA-N -1 3 381.444 0.888 20 0 GCADHM Cn1ccc(CC(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571189811 952935248 /nfs/dbraw/zinc/93/52/48/952935248.db2.gz VSOLVOJHQGCZQL-GOSISDBHSA-N -1 3 381.444 0.888 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cnoc2C2CC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571193997 952955679 /nfs/dbraw/zinc/95/56/79/952955679.db2.gz DIXLPBKIOFLUCQ-NSHDSACASA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cnoc2C2CC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571193997 952955681 /nfs/dbraw/zinc/95/56/81/952955681.db2.gz DIXLPBKIOFLUCQ-NSHDSACASA-N -1 3 382.384 0.705 20 0 GCADHM NC(=O)Cc1occc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571194167 952958776 /nfs/dbraw/zinc/95/87/76/952958776.db2.gz HRAZPIBNDIBJRD-XYPYZODXSA-N -1 3 382.384 0.255 20 0 GCADHM NC(=O)Cc1occc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571194167 952958784 /nfs/dbraw/zinc/95/87/84/952958784.db2.gz HRAZPIBNDIBJRD-XYPYZODXSA-N -1 3 382.384 0.255 20 0 GCADHM O=C(N[C@H]1CC12CCN(C(=O)c1cocn1)CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194188 952960068 /nfs/dbraw/zinc/96/00/68/952960068.db2.gz ICQGWXNXPAMZKT-ZDUSSCGKSA-N -1 3 382.384 0.608 20 0 GCADHM O=C(N[C@H]1CC12CCN(C(=O)c1cocn1)CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194188 952960076 /nfs/dbraw/zinc/96/00/76/952960076.db2.gz ICQGWXNXPAMZKT-ZDUSSCGKSA-N -1 3 382.384 0.608 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571194280 952960921 /nfs/dbraw/zinc/96/09/21/952960921.db2.gz JQIZUJCXNGAJDN-SNVBAGLBSA-N -1 3 382.384 0.528 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571194280 952960927 /nfs/dbraw/zinc/96/09/27/952960927.db2.gz JQIZUJCXNGAJDN-SNVBAGLBSA-N -1 3 382.384 0.528 20 0 GCADHM CN(C(=O)c1ccc(=O)[nH]c1)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571194447 952962811 /nfs/dbraw/zinc/96/28/11/952962811.db2.gz NAPJYIPNGSYNND-UHFFFAOYSA-N -1 3 382.384 0.328 20 0 GCADHM CN(C(=O)c1ccc(=O)[nH]c1)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571194447 952962817 /nfs/dbraw/zinc/96/28/17/952962817.db2.gz NAPJYIPNGSYNND-UHFFFAOYSA-N -1 3 382.384 0.328 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(C(=O)c1cnco1)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194633 952966161 /nfs/dbraw/zinc/96/61/61/952966161.db2.gz PFWJYWYCMIISNZ-CXAGYDPISA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(C(=O)c1cnco1)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194633 952966164 /nfs/dbraw/zinc/96/61/64/952966164.db2.gz PFWJYWYCMIISNZ-CXAGYDPISA-N -1 3 382.384 0.750 20 0 GCADHM Cc1conc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571194679 952966634 /nfs/dbraw/zinc/96/66/34/952966634.db2.gz QLLDUEJQZHEFMH-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1conc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571194679 952966638 /nfs/dbraw/zinc/96/66/38/952966638.db2.gz QLLDUEJQZHEFMH-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(C(=O)c2conc2C2CC2)CC1 ZINC001571194686 952966995 /nfs/dbraw/zinc/96/69/95/952966995.db2.gz QUGPSNCSUMIXDP-UHFFFAOYSA-N -1 3 382.384 0.658 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(C(=O)c2conc2C2CC2)CC1 ZINC001571194686 952966996 /nfs/dbraw/zinc/96/69/96/952966996.db2.gz QUGPSNCSUMIXDP-UHFFFAOYSA-N -1 3 382.384 0.658 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571194697 952967017 /nfs/dbraw/zinc/96/70/17/952967017.db2.gz RCQYYRQZOURIQO-LLVKDONJSA-N -1 3 382.384 0.670 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571194697 952967018 /nfs/dbraw/zinc/96/70/18/952967018.db2.gz RCQYYRQZOURIQO-LLVKDONJSA-N -1 3 382.384 0.670 20 0 GCADHM CCc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001571194909 952971300 /nfs/dbraw/zinc/97/13/00/952971300.db2.gz WCJKVSCCZHZTRK-YABSGUDNSA-N -1 3 382.384 0.246 20 0 GCADHM CCc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001571194909 952971301 /nfs/dbraw/zinc/97/13/01/952971301.db2.gz WCJKVSCCZHZTRK-YABSGUDNSA-N -1 3 382.384 0.246 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001571195028 952972246 /nfs/dbraw/zinc/97/22/46/952972246.db2.gz WOUQQRNTQCNBBU-MWLCHTKSSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001571195028 952972249 /nfs/dbraw/zinc/97/22/49/952972249.db2.gz WOUQQRNTQCNBBU-MWLCHTKSSA-N -1 3 382.384 0.328 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)o1 ZINC001571195020 952972403 /nfs/dbraw/zinc/97/24/03/952972403.db2.gz WHYIXTSUKXNTJW-UHFFFAOYSA-N -1 3 382.384 0.306 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)o1 ZINC001571195020 952972412 /nfs/dbraw/zinc/97/24/12/952972412.db2.gz WHYIXTSUKXNTJW-UHFFFAOYSA-N -1 3 382.384 0.306 20 0 GCADHM Cc1ncoc1C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571195111 952973608 /nfs/dbraw/zinc/97/36/08/952973608.db2.gz YZJATYHGYHPOQX-GXFFZTMASA-N -1 3 382.384 0.478 20 0 GCADHM Cc1ncoc1C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571195111 952973613 /nfs/dbraw/zinc/97/36/13/952973613.db2.gz YZJATYHGYHPOQX-GXFFZTMASA-N -1 3 382.384 0.478 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2coc(C3CC3)n2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571195120 952973674 /nfs/dbraw/zinc/97/36/74/952973674.db2.gz ZNTMOTOUANGXKW-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2coc(C3CC3)n2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571195120 952973682 /nfs/dbraw/zinc/97/36/82/952973682.db2.gz ZNTMOTOUANGXKW-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM COc1ccc(CN2CC[C@H]2CN(C)C(=O)c2ncc[nH]2)cc1-c1nnn[n-]1 ZINC001571198515 952991205 /nfs/dbraw/zinc/99/12/05/952991205.db2.gz ANSXEMXDBRAPPG-ZDUSSCGKSA-N -1 3 382.428 0.945 20 0 GCADHM COc1ccc(CN2CC[C@H]2CN(C)C(=O)c2ncc[nH]2)cc1-c1nn[n-]n1 ZINC001571198515 952991208 /nfs/dbraw/zinc/99/12/08/952991208.db2.gz ANSXEMXDBRAPPG-ZDUSSCGKSA-N -1 3 382.428 0.945 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(C(=O)c2cccn2C)CC1 ZINC001571199119 952996187 /nfs/dbraw/zinc/99/61/87/952996187.db2.gz LXUXCLKJBZJRFW-UHFFFAOYSA-N -1 3 382.428 0.910 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(C(=O)c2cccn2C)CC1 ZINC001571199119 952996192 /nfs/dbraw/zinc/99/61/92/952996192.db2.gz LXUXCLKJBZJRFW-UHFFFAOYSA-N -1 3 382.428 0.910 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1 ZINC001571199277 952998341 /nfs/dbraw/zinc/99/83/41/952998341.db2.gz OXQKTXIXVODMIF-MQYQWHSLSA-N -1 3 382.428 0.108 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1 ZINC001571199277 952998348 /nfs/dbraw/zinc/99/83/48/952998348.db2.gz OXQKTXIXVODMIF-MQYQWHSLSA-N -1 3 382.428 0.108 20 0 GCADHM CCc1c(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)ccn1C ZINC001571199551 953002103 /nfs/dbraw/zinc/00/21/03/953002103.db2.gz UVSBIWLBUWQXNT-UKRRQHHQSA-N -1 3 382.428 0.142 20 0 GCADHM 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Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1C ZINC001571202088 953022935 /nfs/dbraw/zinc/02/29/35/953022935.db2.gz QVFWPICBRVQAOR-GFCCVEGCSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1C ZINC001571202088 953022940 /nfs/dbraw/zinc/02/29/40/953022940.db2.gz QVFWPICBRVQAOR-GFCCVEGCSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001571202486 953025387 /nfs/dbraw/zinc/02/53/87/953025387.db2.gz YSRCRDFSXXHYTP-UPJWGTAASA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001571202486 953025392 /nfs/dbraw/zinc/02/53/92/953025392.db2.gz YSRCRDFSXXHYTP-UPJWGTAASA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001571204658 953030873 /nfs/dbraw/zinc/03/08/73/953030873.db2.gz CAPZZDAAMDBLHX-VXGBXAGGSA-N -1 3 382.432 0.662 20 0 GCADHM 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OTQHKLRQWRQOSW-GFCCVEGCSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccn(C)n1 ZINC001571205940 953044976 /nfs/dbraw/zinc/04/49/76/953044976.db2.gz OTQHKLRQWRQOSW-GFCCVEGCSA-N -1 3 382.432 0.588 20 0 GCADHM CCc1nc(-c2nnn[n-]2)cc(N(C)C2CCN(C(=O)c3cc[nH]n3)CC2)n1 ZINC001571206060 953045977 /nfs/dbraw/zinc/04/59/77/953045977.db2.gz RIGNRKSECSRJML-UHFFFAOYSA-N -1 3 382.432 0.683 20 0 GCADHM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001571206050 953046182 /nfs/dbraw/zinc/04/61/82/953046182.db2.gz RHNFOEQNRFLARE-UHFFFAOYSA-N -1 3 382.432 0.806 20 0 GCADHM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001571206050 953046185 /nfs/dbraw/zinc/04/61/85/953046185.db2.gz RHNFOEQNRFLARE-UHFFFAOYSA-N -1 3 382.432 0.806 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206107 953046959 /nfs/dbraw/zinc/04/69/59/953046959.db2.gz DGJJJWNLUGNVOZ-PWSUYJOCSA-N -1 3 382.432 0.404 20 0 GCADHM 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953050980 /nfs/dbraw/zinc/05/09/80/953050980.db2.gz ULMIEQASVYNFGW-LBPRGKRZSA-N -1 3 382.432 0.683 20 0 GCADHM CCc1cc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)[nH]n1 ZINC001571206434 953050983 /nfs/dbraw/zinc/05/09/83/953050983.db2.gz ULMIEQASVYNFGW-LBPRGKRZSA-N -1 3 382.432 0.683 20 0 GCADHM CCN(C(=O)c1ncn(C)n1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571206530 953052376 /nfs/dbraw/zinc/05/23/76/953052376.db2.gz VECVVMBNNWEHCS-GFCCVEGCSA-N -1 3 382.432 0.440 20 0 GCADHM CCN(C(=O)c1ncn(C)n1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571206530 953052379 /nfs/dbraw/zinc/05/23/79/953052379.db2.gz VECVVMBNNWEHCS-GFCCVEGCSA-N -1 3 382.432 0.440 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001571206657 953054126 /nfs/dbraw/zinc/05/41/26/953054126.db2.gz VWDSSDQIZZWOPQ-RYUDHWBXSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001571206657 953054128 /nfs/dbraw/zinc/05/41/28/953054128.db2.gz VWDSSDQIZZWOPQ-RYUDHWBXSA-N -1 3 382.432 0.743 20 0 GCADHM CCc1nc(N[C@@H]2CN(C(C)=O)C[C@H]2c2cnn(C)c2)cc(-c2nnn[n-]2)n1 ZINC001571206745 953054776 /nfs/dbraw/zinc/05/47/76/953054776.db2.gz XAKZZABLHHLVNI-GXTWGEPZSA-N -1 3 382.432 0.379 20 0 GCADHM CCc1nc(N[C@@H]2CN(C(C)=O)C[C@H]2c2cnn(C)c2)cc(-c2nn[n-]n2)n1 ZINC001571206745 953054778 /nfs/dbraw/zinc/05/47/78/953054778.db2.gz XAKZZABLHHLVNI-GXTWGEPZSA-N -1 3 382.432 0.379 20 0 GCADHM CCc1c[nH]c(CC(=O)N2CC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571206722 953054936 /nfs/dbraw/zinc/05/49/36/953054936.db2.gz WUGAXFGUCKYNSH-GFCCVEGCSA-N -1 3 382.432 0.222 20 0 GCADHM CCc1c[nH]c(CC(=O)N2CC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571206722 953054939 /nfs/dbraw/zinc/05/49/39/953054939.db2.gz WUGAXFGUCKYNSH-GFCCVEGCSA-N -1 3 382.432 0.222 20 0 GCADHM CCc1cc(C(=O)N(CC)[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571206737 953055019 /nfs/dbraw/zinc/05/50/19/953055019.db2.gz WZVZNSRARRWSQR-GFCCVEGCSA-N -1 3 382.432 0.683 20 0 GCADHM CCc1cc(C(=O)N(CC)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571206737 953055025 /nfs/dbraw/zinc/05/50/25/953055025.db2.gz WZVZNSRARRWSQR-GFCCVEGCSA-N -1 3 382.432 0.683 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571206721 953055533 /nfs/dbraw/zinc/05/55/33/953055533.db2.gz WUDFDYMVMLNKMQ-ZYHUDNBSSA-N -1 3 382.432 0.953 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571206721 953055539 /nfs/dbraw/zinc/05/55/39/953055539.db2.gz WUDFDYMVMLNKMQ-ZYHUDNBSSA-N -1 3 382.432 0.953 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]2C)n1 ZINC001571206809 953055975 /nfs/dbraw/zinc/05/59/75/953055975.db2.gz KUAPKUYPOPBYLZ-ZYHUDNBSSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1nc(C(=O)N2CC[C@@H](CN(C)c3nc(C)cc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001571207086 953059088 /nfs/dbraw/zinc/05/90/88/953059088.db2.gz MTSWINUYOATTJG-LBPRGKRZSA-N -1 3 382.432 0.595 20 0 GCADHM CCn1nncc1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571207274 953062250 /nfs/dbraw/zinc/06/22/50/953062250.db2.gz PKNFOBMLTPZPPW-WCQYABFASA-N -1 3 382.432 0.884 20 0 GCADHM CCn1nncc1C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571207274 953062254 /nfs/dbraw/zinc/06/22/54/953062254.db2.gz PKNFOBMLTPZPPW-WCQYABFASA-N -1 3 382.432 0.884 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cn3ccnc3)C[C@H]2C)n1 ZINC001571207554 953064515 /nfs/dbraw/zinc/06/45/15/953064515.db2.gz WHYVUUBCNDGGGY-YPMHNXCESA-N -1 3 382.432 0.511 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001571207561 953064725 /nfs/dbraw/zinc/06/47/25/953064725.db2.gz WUMXSZQXTFTZQH-WCQYABFASA-N -1 3 382.432 0.836 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001571207561 953064727 /nfs/dbraw/zinc/06/47/27/953064727.db2.gz WUMXSZQXTFTZQH-WCQYABFASA-N -1 3 382.432 0.836 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)Cc1cc[nH]n1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571207611 953065077 /nfs/dbraw/zinc/06/50/77/953065077.db2.gz XXCVMVJCBMUAAA-ZDUSSCGKSA-N -1 3 382.432 0.440 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)Cc1cc[nH]n1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571207611 953065078 /nfs/dbraw/zinc/06/50/78/953065078.db2.gz XXCVMVJCBMUAAA-ZDUSSCGKSA-N -1 3 382.432 0.440 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2C)n1 ZINC001571207645 953065190 /nfs/dbraw/zinc/06/51/90/953065190.db2.gz ZABLDWSWIFUSGB-HZMBPMFUSA-N -1 3 382.432 0.200 20 0 GCADHM Cn1ncc(CCC(=O)N2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571210805 953074441 /nfs/dbraw/zinc/07/44/41/953074441.db2.gz XKZMBNXBEZFPRT-CYBMUJFWSA-N -1 3 382.432 0.426 20 0 GCADHM Cn1ncc(CCC(=O)N2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571210805 953074446 /nfs/dbraw/zinc/07/44/46/953074446.db2.gz XKZMBNXBEZFPRT-CYBMUJFWSA-N -1 3 382.432 0.426 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571210883 953074775 /nfs/dbraw/zinc/07/47/75/953074775.db2.gz ZIJGCWCTRZPQOE-HAQNSBGRSA-N -1 3 382.432 0.709 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571210883 953074779 /nfs/dbraw/zinc/07/47/79/953074779.db2.gz ZIJGCWCTRZPQOE-HAQNSBGRSA-N -1 3 382.432 0.709 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571211464 953076297 /nfs/dbraw/zinc/07/62/97/953076297.db2.gz BEVVDFBHDPYIQE-RNCFNFMXSA-N -1 3 382.432 0.959 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)[C@H](C)C2)[nH]n1 ZINC001571211611 953078726 /nfs/dbraw/zinc/07/87/26/953078726.db2.gz CCGNGEFACHOFTR-ZYHUDNBSSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)[C@H](C)C2)[nH]n1 ZINC001571211611 953078730 /nfs/dbraw/zinc/07/87/30/953078730.db2.gz CCGNGEFACHOFTR-ZYHUDNBSSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571212133 953085065 /nfs/dbraw/zinc/08/50/65/953085065.db2.gz JLIDFIGIYZWCOH-JOYOIKCWSA-N -1 3 382.432 0.784 20 0 GCADHM Cc1nc(NC[C@]2(C)CCN(C(=O)c3cnn(C)n3)C2)ccc1-c1nnn[n-]1 ZINC001571212143 953085197 /nfs/dbraw/zinc/08/51/97/953085197.db2.gz JSIAPXZSJTXGKW-KRWDZBQOSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1nc(NC[C@]2(C)CCN(C(=O)c3cnn(C)n3)C2)ccc1-c1nn[n-]n1 ZINC001571212143 953085201 /nfs/dbraw/zinc/08/52/01/953085201.db2.gz JSIAPXZSJTXGKW-KRWDZBQOSA-N -1 3 382.432 0.663 20 0 GCADHM Cn1cnnc1CN1CCC2(C[C@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571212380 953087721 /nfs/dbraw/zinc/08/77/21/953087721.db2.gz NBXXJVQKOOXYMV-CYBMUJFWSA-N -1 3 382.432 0.108 20 0 GCADHM Cn1cnnc1CN1CCC2(C[C@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571212380 953087724 /nfs/dbraw/zinc/08/77/24/953087724.db2.gz NBXXJVQKOOXYMV-CYBMUJFWSA-N -1 3 382.432 0.108 20 0 GCADHM Cc1nc(N[C@@H](C)[C@@H]2CCN(C(=O)Cn3cncn3)C2)ccc1-c1nnn[n-]1 ZINC001571212836 953090324 /nfs/dbraw/zinc/09/03/24/953090324.db2.gz PNTSVYONUUKSLP-WCQYABFASA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nc(N[C@@H](C)[C@@H]2CCN(C(=O)Cn3cncn3)C2)ccc1-c1nn[n-]n1 ZINC001571212836 953090327 /nfs/dbraw/zinc/09/03/27/953090327.db2.gz PNTSVYONUUKSLP-WCQYABFASA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)[C@@H](C)C2)[nH]1 ZINC001571212767 953090417 /nfs/dbraw/zinc/09/04/17/953090417.db2.gz OYSDMOQEGRLGMV-GXFFZTMASA-N -1 3 382.432 0.580 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)[C@@H](C)C2)[nH]1 ZINC001571212767 953090423 /nfs/dbraw/zinc/09/04/23/953090423.db2.gz OYSDMOQEGRLGMV-GXFFZTMASA-N -1 3 382.432 0.580 20 0 GCADHM Cn1cnnc1CN1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@@H]21 ZINC001571212712 953090508 /nfs/dbraw/zinc/09/05/08/953090508.db2.gz OJYDDUBONHEDGF-FZMZJTMJSA-N -1 3 382.432 0.060 20 0 GCADHM Cn1cnnc1CN1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@@H]21 ZINC001571212712 953090512 /nfs/dbraw/zinc/09/05/12/953090512.db2.gz OJYDDUBONHEDGF-FZMZJTMJSA-N -1 3 382.432 0.060 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)[C@@H](C)C2)[nH]1 ZINC001571212766 953090517 /nfs/dbraw/zinc/09/05/17/953090517.db2.gz OYSDMOQEGRLGMV-GWCFXTLKSA-N -1 3 382.432 0.580 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)[C@@H](C)C2)[nH]1 ZINC001571212766 953090518 /nfs/dbraw/zinc/09/05/18/953090518.db2.gz OYSDMOQEGRLGMV-GWCFXTLKSA-N -1 3 382.432 0.580 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCCN2C(=O)Cn2cncn2)n1 ZINC001571213039 953092479 /nfs/dbraw/zinc/09/24/79/953092479.db2.gz PWUIMNBHFCSLCC-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCCN2C(=O)Cn2cncn2)n1 ZINC001571213039 953092483 /nfs/dbraw/zinc/09/24/83/953092483.db2.gz PWUIMNBHFCSLCC-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)c1N ZINC001571213204 953093117 /nfs/dbraw/zinc/09/31/17/953093117.db2.gz RZFFNKBAKFVREI-GXFFZTMASA-N -1 3 382.432 0.588 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)c1N ZINC001571213204 953093119 /nfs/dbraw/zinc/09/31/19/953093119.db2.gz RZFFNKBAKFVREI-GXFFZTMASA-N -1 3 382.432 0.588 20 0 GCADHM Cc1cncn1CC(=O)NC1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571213408 953093928 /nfs/dbraw/zinc/09/39/28/953093928.db2.gz SCTCDJWWHVOGGV-UHFFFAOYSA-N -1 3 382.432 0.701 20 0 GCADHM Cc1cncn1CC(=O)NC1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571213408 953093932 /nfs/dbraw/zinc/09/39/32/953093932.db2.gz SCTCDJWWHVOGGV-UHFFFAOYSA-N -1 3 382.432 0.701 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571213487 953095241 /nfs/dbraw/zinc/09/52/41/953095241.db2.gz UYRFVJGFOIXMHE-CYBMUJFWSA-N -1 3 382.432 0.193 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571213487 953095246 /nfs/dbraw/zinc/09/52/46/953095246.db2.gz UYRFVJGFOIXMHE-CYBMUJFWSA-N -1 3 382.432 0.193 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCC[C@@H](NC(=O)c3cnnn3C)C2)n1 ZINC001571213496 953095328 /nfs/dbraw/zinc/09/53/28/953095328.db2.gz VCZSPUADTJJNEC-NWDGAFQWSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCC[C@@H](NC(=O)c3cnnn3C)C2)n1 ZINC001571213496 953095332 /nfs/dbraw/zinc/09/53/32/953095332.db2.gz VCZSPUADTJJNEC-NWDGAFQWSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571214257 953100833 /nfs/dbraw/zinc/10/08/33/953100833.db2.gz ZQXIJJWGTKKOMZ-WCQYABFASA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571214257 953100838 /nfs/dbraw/zinc/10/08/38/953100838.db2.gz ZQXIJJWGTKKOMZ-WCQYABFASA-N -1 3 382.432 0.335 20 0 GCADHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1NC(=O)c1ccncn1 ZINC001571216721 953103524 /nfs/dbraw/zinc/10/35/24/953103524.db2.gz CTSNYCUXJBJYKU-CYBMUJFWSA-N -1 3 383.391 0.836 20 0 GCADHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1NC(=O)c1ccncn1 ZINC001571216721 953103528 /nfs/dbraw/zinc/10/35/28/953103528.db2.gz CTSNYCUXJBJYKU-CYBMUJFWSA-N -1 3 383.391 0.836 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2ncccn2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571217082 953105393 /nfs/dbraw/zinc/10/53/93/953105393.db2.gz GEQOXAQBCZQBSX-JQWIXIFHSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2ncccn2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571217082 953105396 /nfs/dbraw/zinc/10/53/96/953105396.db2.gz GEQOXAQBCZQBSX-JQWIXIFHSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnccn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571216926 953105659 /nfs/dbraw/zinc/10/56/59/953105659.db2.gz CZUKBTSIOWAKFC-GWCFXTLKSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnccn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571216926 953105660 /nfs/dbraw/zinc/10/56/60/953105660.db2.gz CZUKBTSIOWAKFC-GWCFXTLKSA-N -1 3 383.391 0.978 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC001571216921 953105756 /nfs/dbraw/zinc/10/57/56/953105756.db2.gz CNUMKFHUFIOXEC-YGRLFVJLSA-N -1 3 383.355 0.919 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CCCC(F)(F)[C@H]1O ZINC001571216921 953105758 /nfs/dbraw/zinc/10/57/58/953105758.db2.gz CNUMKFHUFIOXEC-YGRLFVJLSA-N -1 3 383.355 0.919 20 0 GCADHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001571218526 953115918 /nfs/dbraw/zinc/11/59/18/953115918.db2.gz APZVZGNBUOVNJN-SECBINFHSA-N -1 3 383.409 0.168 20 0 GCADHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC001571218526 953115920 /nfs/dbraw/zinc/11/59/20/953115920.db2.gz APZVZGNBUOVNJN-SECBINFHSA-N -1 3 383.409 0.168 20 0 GCADHM Cc1ncncc1C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571218622 953117170 /nfs/dbraw/zinc/11/71/70/953117170.db2.gz CKVXUXYFIUCUPW-LBPRGKRZSA-N -1 3 383.391 0.898 20 0 GCADHM Cc1ncncc1C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571218622 953117173 /nfs/dbraw/zinc/11/71/73/953117173.db2.gz CKVXUXYFIUCUPW-LBPRGKRZSA-N -1 3 383.391 0.898 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ncc(-c3nnn[n-]3)cc1F)CC2)c1ccn[nH]1 ZINC001571218895 953121113 /nfs/dbraw/zinc/12/11/13/953121113.db2.gz GHSVFSCIZFCSKY-ZDUSSCGKSA-N -1 3 383.391 0.913 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ncc(-c3nn[n-]n3)cc1F)CC2)c1ccn[nH]1 ZINC001571218895 953121114 /nfs/dbraw/zinc/12/11/14/953121114.db2.gz GHSVFSCIZFCSKY-ZDUSSCGKSA-N -1 3 383.391 0.913 20 0 GCADHM CN1CCC[C@H]1C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571219089 953122387 /nfs/dbraw/zinc/12/23/87/953122387.db2.gz UWENSGMEMJVFMG-IUCAKERBSA-N -1 3 382.881 0.766 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2[C@H]3CN(c4cccc(F)c4-c4nnn[n-]4)C[C@H]32)n1 ZINC001571219284 953123978 /nfs/dbraw/zinc/12/39/78/953123978.db2.gz NJVDCROYJUFVDI-RTCCRHLQSA-N -1 3 383.391 0.247 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2[C@H]3CN(c4cccc(F)c4-c4nn[n-]n4)C[C@H]32)n1 ZINC001571219284 953123979 /nfs/dbraw/zinc/12/39/79/953123979.db2.gz NJVDCROYJUFVDI-RTCCRHLQSA-N -1 3 383.391 0.247 20 0 GCADHM O=C(NC[C@@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F)c1cnccn1 ZINC001571219219 953124110 /nfs/dbraw/zinc/12/41/10/953124110.db2.gz MIXOIMMGSZNIAV-LBPRGKRZSA-N -1 3 383.391 0.980 20 0 GCADHM O=C(NC[C@@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F)c1cnccn1 ZINC001571219219 953124111 /nfs/dbraw/zinc/12/41/11/953124111.db2.gz MIXOIMMGSZNIAV-LBPRGKRZSA-N -1 3 383.391 0.980 20 0 GCADHM Cc1ncncc1C(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571219205 953124411 /nfs/dbraw/zinc/12/44/11/953124411.db2.gz LYMNNXGXVTVIPE-KRWDZBQOSA-N -1 3 383.391 0.898 20 0 GCADHM Cc1ncncc1C(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571219205 953124413 /nfs/dbraw/zinc/12/44/13/953124413.db2.gz LYMNNXGXVTVIPE-KRWDZBQOSA-N -1 3 383.391 0.898 20 0 GCADHM COc1ccccc1OCCN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571219501 953125717 /nfs/dbraw/zinc/12/57/17/953125717.db2.gz PHOOGYNCARXTIK-UHFFFAOYSA-N -1 3 383.412 0.696 20 0 GCADHM COc1ccccc1OCCN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571219501 953125722 /nfs/dbraw/zinc/12/57/22/953125722.db2.gz PHOOGYNCARXTIK-UHFFFAOYSA-N -1 3 383.412 0.696 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1 ZINC001571219983 953128304 /nfs/dbraw/zinc/12/83/04/953128304.db2.gz WDJKMWSBXRDQRY-USWWRNFRSA-N -1 3 383.391 0.972 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1 ZINC001571219983 953128308 /nfs/dbraw/zinc/12/83/08/953128308.db2.gz WDJKMWSBXRDQRY-USWWRNFRSA-N -1 3 383.391 0.972 20 0 GCADHM CO[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1conc1C ZINC001571219991 953128903 /nfs/dbraw/zinc/12/89/03/953128903.db2.gz WOVQJSUUOIZRNB-HZPDHXFCSA-N -1 3 383.412 0.792 20 0 GCADHM CO[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1NC(=O)c1oncc1C ZINC001571220259 953129718 /nfs/dbraw/zinc/12/97/18/953129718.db2.gz ZWIBSWLZBMFOEF-HUUCEWRRSA-N -1 3 383.412 0.792 20 0 GCADHM Cc1ccc([C@@H](C)C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)o1 ZINC001571222096 953130296 /nfs/dbraw/zinc/13/02/96/953130296.db2.gz CDTYQJNYXAGHJM-MRVWCRGKSA-N -1 3 383.412 0.633 20 0 GCADHM Cc1ccc([C@@H](C)C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)o1 ZINC001571222096 953130300 /nfs/dbraw/zinc/13/03/00/953130300.db2.gz CDTYQJNYXAGHJM-MRVWCRGKSA-N -1 3 383.412 0.633 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571222135 953131432 /nfs/dbraw/zinc/13/14/32/953131432.db2.gz CXIOVLLFZUGPRQ-CMPLNLGQSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571222135 953131437 /nfs/dbraw/zinc/13/14/37/953131437.db2.gz CXIOVLLFZUGPRQ-CMPLNLGQSA-N -1 3 383.416 0.664 20 0 GCADHM CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)cn1 ZINC001571222221 953132397 /nfs/dbraw/zinc/13/23/97/953132397.db2.gz ACRXRGGVOOLDHK-MFKMUULPSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)cn1 ZINC001571222221 953132399 /nfs/dbraw/zinc/13/23/99/953132399.db2.gz ACRXRGGVOOLDHK-MFKMUULPSA-N -1 3 383.416 0.444 20 0 GCADHM CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222257 953132406 /nfs/dbraw/zinc/13/24/06/953132406.db2.gz BLMOQSAOKCONAE-GFCCVEGCSA-N -1 3 383.416 0.802 20 0 GCADHM CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222257 953132408 /nfs/dbraw/zinc/13/24/08/953132408.db2.gz BLMOQSAOKCONAE-GFCCVEGCSA-N -1 3 383.416 0.802 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001571222316 953133045 /nfs/dbraw/zinc/13/30/45/953133045.db2.gz GHZGNJRLHCYRJI-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001571222316 953133050 /nfs/dbraw/zinc/13/30/50/953133050.db2.gz GHZGNJRLHCYRJI-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571222285 953133648 /nfs/dbraw/zinc/13/36/48/953133648.db2.gz CYRCLYPLKVCQGD-LLVKDONJSA-N -1 3 383.416 0.651 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571222285 953133650 /nfs/dbraw/zinc/13/36/50/953133650.db2.gz CYRCLYPLKVCQGD-LLVKDONJSA-N -1 3 383.416 0.651 20 0 GCADHM COc1cc(C)nc(N[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1 ZINC001571222340 953133659 /nfs/dbraw/zinc/13/36/59/953133659.db2.gz DSDPBHAXHIIETI-ZANVPECISA-N -1 3 383.416 0.874 20 0 GCADHM COc1cc(C)nc(N[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1 ZINC001571222340 953133660 /nfs/dbraw/zinc/13/36/60/953133660.db2.gz DSDPBHAXHIIETI-ZANVPECISA-N -1 3 383.416 0.874 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001571222405 953133839 /nfs/dbraw/zinc/13/38/39/953133839.db2.gz HXBDJUWNGZSBKN-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001571222405 953133841 /nfs/dbraw/zinc/13/38/41/953133841.db2.gz HXBDJUWNGZSBKN-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM COCc1cc(NC[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)ncn1 ZINC001571222446 953134885 /nfs/dbraw/zinc/13/48/85/953134885.db2.gz FVVYWDHQHWSASO-LLVKDONJSA-N -1 3 383.416 0.705 20 0 GCADHM COCc1cc(NC[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)ncn1 ZINC001571222446 953134886 /nfs/dbraw/zinc/13/48/86/953134886.db2.gz FVVYWDHQHWSASO-LLVKDONJSA-N -1 3 383.416 0.705 20 0 GCADHM COCCn1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571222496 953135026 /nfs/dbraw/zinc/13/50/26/953135026.db2.gz GUENEVYEXBHGJG-CQSZACIVSA-N -1 3 383.416 0.431 20 0 GCADHM COCCn1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571222496 953135033 /nfs/dbraw/zinc/13/50/33/953135033.db2.gz GUENEVYEXBHGJG-CQSZACIVSA-N -1 3 383.416 0.431 20 0 GCADHM COc1cncc(CN2CC[C@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571222456 953135099 /nfs/dbraw/zinc/13/50/99/953135099.db2.gz GDWYUAGNRHVFPT-ZDUSSCGKSA-N -1 3 383.416 0.340 20 0 GCADHM COc1cncc(CN2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571222456 953135100 /nfs/dbraw/zinc/13/51/00/953135100.db2.gz GDWYUAGNRHVFPT-ZDUSSCGKSA-N -1 3 383.416 0.340 20 0 GCADHM COCc1nnc2n1CCN(C(=O)NCc1ccc(C)c(-c3nnn[n-]3)c1)C2 ZINC001571222511 953135637 /nfs/dbraw/zinc/13/56/37/953135637.db2.gz HDLGAVCKJREOCT-UHFFFAOYSA-N -1 3 383.416 0.638 20 0 GCADHM COCc1nnc2n1CCN(C(=O)NCc1ccc(C)c(-c3nn[n-]n3)c1)C2 ZINC001571222511 953135639 /nfs/dbraw/zinc/13/56/39/953135639.db2.gz HDLGAVCKJREOCT-UHFFFAOYSA-N -1 3 383.416 0.638 20 0 GCADHM CCn1nccc1C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222514 953135706 /nfs/dbraw/zinc/13/57/06/953135706.db2.gz HHCHLSLEEQWKHC-GFCCVEGCSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1nccc1C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222514 953135708 /nfs/dbraw/zinc/13/57/08/953135708.db2.gz HHCHLSLEEQWKHC-GFCCVEGCSA-N -1 3 383.416 0.446 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222516 953135969 /nfs/dbraw/zinc/13/59/69/953135969.db2.gz HIDXUYOMHWICFI-BXKDBHETSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222516 953135972 /nfs/dbraw/zinc/13/59/72/953135972.db2.gz HIDXUYOMHWICFI-BXKDBHETSA-N -1 3 383.416 0.649 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001571222510 953136164 /nfs/dbraw/zinc/13/61/64/953136164.db2.gz HBVBLWTUJIZBKG-ZDUSSCGKSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001571222510 953136166 /nfs/dbraw/zinc/13/61/66/953136166.db2.gz HBVBLWTUJIZBKG-ZDUSSCGKSA-N -1 3 383.416 0.446 20 0 GCADHM O=C(NC1CC2(C1)CC(Nc1ncccc1-c1nnn[n-]1)C2)C1=COCCO1 ZINC001571222627 953136922 /nfs/dbraw/zinc/13/69/22/953136922.db2.gz KGHWNFBGSWPNKG-UHFFFAOYSA-N -1 3 383.412 0.989 20 0 GCADHM O=C(NC1CC2(C1)CC(Nc1ncccc1-c1nn[n-]n1)C2)C1=COCCO1 ZINC001571222627 953136923 /nfs/dbraw/zinc/13/69/23/953136923.db2.gz KGHWNFBGSWPNKG-UHFFFAOYSA-N -1 3 383.412 0.989 20 0 GCADHM Cc1ccoc1CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1O ZINC001571222797 953138593 /nfs/dbraw/zinc/13/85/93/953138593.db2.gz LHRUBEPHZGUIIX-KGLIPLIRSA-N -1 3 383.412 0.380 20 0 GCADHM Cc1ccoc1CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001571222797 953138595 /nfs/dbraw/zinc/13/85/95/953138595.db2.gz LHRUBEPHZGUIIX-KGLIPLIRSA-N -1 3 383.412 0.380 20 0 GCADHM COc1nccc(CN2CC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571222824 953138858 /nfs/dbraw/zinc/13/88/58/953138858.db2.gz MUZGNTJYURDNCP-GFCCVEGCSA-N -1 3 383.416 0.340 20 0 GCADHM COc1nccc(CN2CC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571222824 953138861 /nfs/dbraw/zinc/13/88/61/953138861.db2.gz MUZGNTJYURDNCP-GFCCVEGCSA-N -1 3 383.416 0.340 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001571222845 953139326 /nfs/dbraw/zinc/13/93/26/953139326.db2.gz LZURZDKMTYPCAV-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001571222845 953139329 /nfs/dbraw/zinc/13/93/29/953139329.db2.gz LZURZDKMTYPCAV-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001571222842 953139550 /nfs/dbraw/zinc/13/95/50/953139550.db2.gz LZURZDKMTYPCAV-NEPJUHHUSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001571222842 953139554 /nfs/dbraw/zinc/13/95/54/953139554.db2.gz LZURZDKMTYPCAV-NEPJUHHUSA-N -1 3 383.416 0.231 20 0 GCADHM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1C ZINC001571223014 953140410 /nfs/dbraw/zinc/14/04/10/953140410.db2.gz PEELTIDOWLVIHS-GFCCVEGCSA-N -1 3 383.416 0.521 20 0 GCADHM Cc1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1C ZINC001571223014 953140411 /nfs/dbraw/zinc/14/04/11/953140411.db2.gz PEELTIDOWLVIHS-GFCCVEGCSA-N -1 3 383.416 0.521 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H](CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001571222988 953140780 /nfs/dbraw/zinc/14/07/80/953140780.db2.gz ORVCPKUJIOPYOX-LLVKDONJSA-N -1 3 383.416 0.597 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H](CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001571222988 953140782 /nfs/dbraw/zinc/14/07/82/953140782.db2.gz ORVCPKUJIOPYOX-LLVKDONJSA-N -1 3 383.416 0.597 20 0 GCADHM COc1ccnc(N[C@H](C)[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571223082 953141327 /nfs/dbraw/zinc/14/13/27/953141327.db2.gz QCSHCSCLOJNRHO-MNOVXSKESA-N -1 3 383.416 0.956 20 0 GCADHM COc1ccnc(N[C@H](C)[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571223082 953141330 /nfs/dbraw/zinc/14/13/30/953141330.db2.gz QCSHCSCLOJNRHO-MNOVXSKESA-N -1 3 383.416 0.956 20 0 GCADHM Cc1nc[nH]c1C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223228 953142189 /nfs/dbraw/zinc/14/21/89/953142189.db2.gz QVXPCGMSJMTUDZ-GFCCVEGCSA-N -1 3 383.416 0.651 20 0 GCADHM Cc1nc[nH]c1C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223228 953142194 /nfs/dbraw/zinc/14/21/94/953142194.db2.gz QVXPCGMSJMTUDZ-GFCCVEGCSA-N -1 3 383.416 0.651 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3cnnn3C)C2)cc1-c1nnn[n-]1 ZINC001571223218 953142283 /nfs/dbraw/zinc/14/22/83/953142283.db2.gz QIYCPKNGRCLVIK-LBPRGKRZSA-N -1 3 383.416 0.008 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)no1 ZINC001571223200 953142365 /nfs/dbraw/zinc/14/23/65/953142365.db2.gz PMJLWIOHVCIFGL-OAHLLOKOSA-N -1 3 383.412 0.794 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)no1 ZINC001571223200 953142367 /nfs/dbraw/zinc/14/23/67/953142367.db2.gz PMJLWIOHVCIFGL-OAHLLOKOSA-N -1 3 383.412 0.794 20 0 GCADHM C[C@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571223213 953142394 /nfs/dbraw/zinc/14/23/94/953142394.db2.gz PZHSQEYHCIPEQY-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223213 953142396 /nfs/dbraw/zinc/14/23/96/953142396.db2.gz PZHSQEYHCIPEQY-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1 ZINC001571223484 953144054 /nfs/dbraw/zinc/14/40/54/953144054.db2.gz RILVUSRGAKEBQM-UNJBNNCHSA-N -1 3 383.412 0.441 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1 ZINC001571223484 953144057 /nfs/dbraw/zinc/14/40/57/953144057.db2.gz RILVUSRGAKEBQM-UNJBNNCHSA-N -1 3 383.412 0.441 20 0 GCADHM O=C(C1=COCCO1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571223500 953144142 /nfs/dbraw/zinc/14/41/42/953144142.db2.gz RQOQWHFTXOBYBD-OKILXGFUSA-N -1 3 383.412 0.720 20 0 GCADHM O=C(C1=COCCO1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571223500 953144146 /nfs/dbraw/zinc/14/41/46/953144146.db2.gz RQOQWHFTXOBYBD-OKILXGFUSA-N -1 3 383.412 0.720 20 0 GCADHM COc1cncc(CN2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571223519 953145263 /nfs/dbraw/zinc/14/52/63/953145263.db2.gz SZCISSFPGFBRKW-SNVBAGLBSA-N -1 3 383.416 0.244 20 0 GCADHM COc1cncc(CN2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571223519 953145266 /nfs/dbraw/zinc/14/52/66/953145266.db2.gz SZCISSFPGFBRKW-SNVBAGLBSA-N -1 3 383.416 0.244 20 0 GCADHM COc1ncc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)c(C)n1 ZINC001571223588 953146302 /nfs/dbraw/zinc/14/63/02/953146302.db2.gz WQYFYFATUBKBKK-UHFFFAOYSA-N -1 3 383.416 0.260 20 0 GCADHM COc1ncc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)c(C)n1 ZINC001571223588 953146304 /nfs/dbraw/zinc/14/63/04/953146304.db2.gz WQYFYFATUBKBKK-UHFFFAOYSA-N -1 3 383.416 0.260 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001571223761 953146536 /nfs/dbraw/zinc/14/65/36/953146536.db2.gz ULZHWIXSITXTOZ-UKRRQHHQSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001571223761 953146539 /nfs/dbraw/zinc/14/65/39/953146539.db2.gz ULZHWIXSITXTOZ-UKRRQHHQSA-N -1 3 383.416 0.019 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2ccnn2C)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223831 953146737 /nfs/dbraw/zinc/14/67/37/953146737.db2.gz WAPWOPVMJVYUNM-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2ccnn2C)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223831 953146739 /nfs/dbraw/zinc/14/67/39/953146739.db2.gz WAPWOPVMJVYUNM-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM COCc1cc(N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)ncn1 ZINC001571223838 953147266 /nfs/dbraw/zinc/14/72/66/953147266.db2.gz YBGYCGATSJIPAY-LBPRGKRZSA-N -1 3 383.416 0.530 20 0 GCADHM COCc1cc(N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)ncn1 ZINC001571223838 953147268 /nfs/dbraw/zinc/14/72/68/953147268.db2.gz YBGYCGATSJIPAY-LBPRGKRZSA-N -1 3 383.416 0.530 20 0 GCADHM Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1C ZINC001571223893 953147820 /nfs/dbraw/zinc/14/78/20/953147820.db2.gz ZKVXBFQEKYINRX-GFCCVEGCSA-N -1 3 383.416 0.569 20 0 GCADHM Cc1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1C ZINC001571223893 953147822 /nfs/dbraw/zinc/14/78/22/953147822.db2.gz ZKVXBFQEKYINRX-GFCCVEGCSA-N -1 3 383.416 0.569 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571223956 953147931 /nfs/dbraw/zinc/14/79/31/953147931.db2.gz WFFQFPCVOOXHJN-GHMZBOCLSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571223956 953147932 /nfs/dbraw/zinc/14/79/32/953147932.db2.gz WFFQFPCVOOXHJN-GHMZBOCLSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001571224055 953148354 /nfs/dbraw/zinc/14/83/54/953148354.db2.gz XPGWVCMCMJJKHD-GWCFXTLKSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001571224055 953148358 /nfs/dbraw/zinc/14/83/58/953148358.db2.gz XPGWVCMCMJJKHD-GWCFXTLKSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)c1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001571223992 953148444 /nfs/dbraw/zinc/14/84/44/953148444.db2.gz WTZDKSISRCMGMA-MSRIBSCDSA-N -1 3 383.416 0.561 20 0 GCADHM CC(C)c1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001571223992 953148448 /nfs/dbraw/zinc/14/84/48/953148448.db2.gz WTZDKSISRCMGMA-MSRIBSCDSA-N -1 3 383.416 0.561 20 0 GCADHM Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571224742 953150537 /nfs/dbraw/zinc/15/05/37/953150537.db2.gz FKXAOAZSSBAYMG-LLVKDONJSA-N -1 3 383.416 0.129 20 0 GCADHM Cc1nn(C)cc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571224742 953150540 /nfs/dbraw/zinc/15/05/40/953150540.db2.gz FKXAOAZSSBAYMG-LLVKDONJSA-N -1 3 383.416 0.129 20 0 GCADHM Cc1c[nH]nc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571224748 953150771 /nfs/dbraw/zinc/15/07/71/953150771.db2.gz FMTMBBROGZNSPO-GHMZBOCLSA-N -1 3 383.416 0.697 20 0 GCADHM Cc1c[nH]nc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571224748 953150773 /nfs/dbraw/zinc/15/07/73/953150773.db2.gz FMTMBBROGZNSPO-GHMZBOCLSA-N -1 3 383.416 0.697 20 0 GCADHM Cc1c[nH]nc1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571224699 953150877 /nfs/dbraw/zinc/15/08/77/953150877.db2.gz DEMUAKCACWEKFQ-LBPRGKRZSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1c[nH]nc1C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571224699 953150880 /nfs/dbraw/zinc/15/08/80/953150880.db2.gz DEMUAKCACWEKFQ-LBPRGKRZSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1cc(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n(C)n1 ZINC001571224773 953151279 /nfs/dbraw/zinc/15/12/79/953151279.db2.gz FUAAPCWZRSFKLL-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cc(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n(C)n1 ZINC001571224773 953151280 /nfs/dbraw/zinc/15/12/80/953151280.db2.gz FUAAPCWZRSFKLL-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)[nH]n1 ZINC001571224915 953151294 /nfs/dbraw/zinc/15/12/94/953151294.db2.gz GLSZJRLFJYNKNE-BXKDBHETSA-N -1 3 383.416 0.364 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)[nH]n1 ZINC001571224915 953151295 /nfs/dbraw/zinc/15/12/95/953151295.db2.gz GLSZJRLFJYNKNE-BXKDBHETSA-N -1 3 383.416 0.364 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCO[C@H](CNc3nc(C)ccc3-c3nnn[n-]3)C2)n1 ZINC001571224763 953151436 /nfs/dbraw/zinc/15/14/36/953151436.db2.gz FPPFECVRZLINOT-GFCCVEGCSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCO[C@H](CNc3nc(C)ccc3-c3nn[n-]n3)C2)n1 ZINC001571224763 953151438 /nfs/dbraw/zinc/15/14/38/953151438.db2.gz FPPFECVRZLINOT-GFCCVEGCSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n(C)n1 ZINC001571224885 953151561 /nfs/dbraw/zinc/15/15/61/953151561.db2.gz FWERIYXLFLVYJA-GFCCVEGCSA-N -1 3 383.416 0.223 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n(C)n1 ZINC001571224885 953151563 /nfs/dbraw/zinc/15/15/63/953151563.db2.gz FWERIYXLFLVYJA-GFCCVEGCSA-N -1 3 383.416 0.223 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571224931 953152058 /nfs/dbraw/zinc/15/20/58/953152058.db2.gz GYXRGHUPADOIET-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571224931 953152060 /nfs/dbraw/zinc/15/20/60/953152060.db2.gz GYXRGHUPADOIET-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571225223 953152097 /nfs/dbraw/zinc/15/20/97/953152097.db2.gz IRNDVOODBKCTPI-GXFFZTMASA-N -1 3 383.416 0.702 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571225223 953152099 /nfs/dbraw/zinc/15/20/99/953152099.db2.gz IRNDVOODBKCTPI-GXFFZTMASA-N -1 3 383.416 0.702 20 0 GCADHM Cc1nnc(CN2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)CC[C@H]32)o1 ZINC001571225256 953152620 /nfs/dbraw/zinc/15/26/20/953152620.db2.gz IWMKIHBSDNFNJA-SMDDNHRTSA-N -1 3 383.416 0.623 20 0 GCADHM Cc1cncn1CC(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571225658 953153531 /nfs/dbraw/zinc/15/35/31/953153531.db2.gz MOTFNFLYENWMDO-ZDUSSCGKSA-N -1 3 383.416 0.073 20 0 GCADHM Cc1cc(N(C)[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc(CO)n1 ZINC001571225893 953154239 /nfs/dbraw/zinc/15/42/39/953154239.db2.gz NTEHQIPEVLYTFY-GFCCVEGCSA-N -1 3 383.416 0.136 20 0 GCADHM Cc1cc(N(C)[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc(CO)n1 ZINC001571225893 953154242 /nfs/dbraw/zinc/15/42/42/953154242.db2.gz NTEHQIPEVLYTFY-GFCCVEGCSA-N -1 3 383.416 0.136 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571225938 953154762 /nfs/dbraw/zinc/15/47/62/953154762.db2.gz OPVWEDLYXYMVLY-QWRGUYRKSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571225938 953154766 /nfs/dbraw/zinc/15/47/66/953154766.db2.gz OPVWEDLYXYMVLY-QWRGUYRKSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1c[nH]nc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001571225961 953155245 /nfs/dbraw/zinc/15/52/45/953155245.db2.gz PCEYVIUDEHVPFW-LBPRGKRZSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1c[nH]nc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001571225961 953155250 /nfs/dbraw/zinc/15/52/50/953155250.db2.gz PCEYVIUDEHVPFW-LBPRGKRZSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1ccnn1CC(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571226385 953155405 /nfs/dbraw/zinc/15/54/05/953155405.db2.gz PQFYCUKMJJWZLV-UHFFFAOYSA-N -1 3 383.416 0.121 20 0 GCADHM Cc1ccnn1CC(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571226385 953155406 /nfs/dbraw/zinc/15/54/06/953155406.db2.gz PQFYCUKMJJWZLV-UHFFFAOYSA-N -1 3 383.416 0.121 20 0 GCADHM Cc1nn(C)cc1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571226462 953155901 /nfs/dbraw/zinc/15/59/01/953155901.db2.gz RHACLYAKATYMIR-LLVKDONJSA-N -1 3 383.416 0.223 20 0 GCADHM Cc1nn(C)cc1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571226462 953155904 /nfs/dbraw/zinc/15/59/04/953155904.db2.gz RHACLYAKATYMIR-LLVKDONJSA-N -1 3 383.416 0.223 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571226955 953157353 /nfs/dbraw/zinc/15/73/53/953157353.db2.gz XUDHBJATOCEVBR-QMTHXVAHSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571226955 953157357 /nfs/dbraw/zinc/15/73/57/953157357.db2.gz XUDHBJATOCEVBR-QMTHXVAHSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2(C)C)[nH]n1 ZINC001571226983 953157440 /nfs/dbraw/zinc/15/74/40/953157440.db2.gz YGNYSSHDRHZYMP-CYBMUJFWSA-N -1 3 383.416 0.507 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2(C)C)[nH]n1 ZINC001571226983 953157443 /nfs/dbraw/zinc/15/74/43/953157443.db2.gz YGNYSSHDRHZYMP-CYBMUJFWSA-N -1 3 383.416 0.507 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)c[nH]1 ZINC001571226988 953157463 /nfs/dbraw/zinc/15/74/63/953157463.db2.gz YJERIPJGHVRJBJ-BXKDBHETSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571226923 953157685 /nfs/dbraw/zinc/15/76/85/953157685.db2.gz XASJGLIMSRRTTI-NSHDSACASA-N -1 3 383.416 0.427 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571226923 953157686 /nfs/dbraw/zinc/15/76/86/953157686.db2.gz XASJGLIMSRRTTI-NSHDSACASA-N -1 3 383.416 0.427 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001571227149 953158540 /nfs/dbraw/zinc/15/85/40/953158540.db2.gz ZUEASYWNYUOJJZ-CABZTGNLSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001571227149 953158541 /nfs/dbraw/zinc/15/85/41/953158541.db2.gz ZUEASYWNYUOJJZ-CABZTGNLSA-N -1 3 383.416 0.270 20 0 GCADHM O=C(NC[C@@H]1CCCN1Cc1noc(C2CC2)n1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571227760 953159257 /nfs/dbraw/zinc/15/92/57/953159257.db2.gz BLNNJNUWYXNWMQ-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(NC[C@@H]1CCCN1Cc1noc(C2CC2)n1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571227760 953159259 /nfs/dbraw/zinc/15/92/59/953159259.db2.gz BLNNJNUWYXNWMQ-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM Cn1cncc1C(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001571227773 953159696 /nfs/dbraw/zinc/15/96/96/953159696.db2.gz BRINOEJSKABYCU-ZDUSSCGKSA-N -1 3 383.416 0.209 20 0 GCADHM Cn1cncc1C(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001571227773 953159698 /nfs/dbraw/zinc/15/96/98/953159698.db2.gz BRINOEJSKABYCU-ZDUSSCGKSA-N -1 3 383.416 0.209 20 0 GCADHM Cc1noc(CN2C[C@@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@]3(C)C2)n1 ZINC001571227785 953160003 /nfs/dbraw/zinc/16/00/03/953160003.db2.gz BZEOVZXIJYGYMO-DIFFPNOSSA-N -1 3 383.416 0.480 20 0 GCADHM Cc1noc(CN2C[C@@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@]3(C)C2)n1 ZINC001571227785 953160005 /nfs/dbraw/zinc/16/00/05/953160005.db2.gz BZEOVZXIJYGYMO-DIFFPNOSSA-N -1 3 383.416 0.480 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227799 953160217 /nfs/dbraw/zinc/16/02/17/953160217.db2.gz CHYSUMRGWZWDTJ-QWRGUYRKSA-N -1 3 383.420 0.057 20 0 GCADHM O=C(c1cn[nH]c1)N1CCC(N(CCO)c2ncccc2-c2nnn[n-]2)CC1 ZINC001571227864 953160530 /nfs/dbraw/zinc/16/05/30/953160530.db2.gz DQCQJCLGXYAQEJ-UHFFFAOYSA-N -1 3 383.416 0.088 20 0 GCADHM O=C(c1cn[nH]c1)N1CCC(N(CCO)c2ncccc2-c2nn[n-]n2)CC1 ZINC001571227864 953160535 /nfs/dbraw/zinc/16/05/35/953160535.db2.gz DQCQJCLGXYAQEJ-UHFFFAOYSA-N -1 3 383.416 0.088 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571228024 953160665 /nfs/dbraw/zinc/16/06/65/953160665.db2.gz GOYFNYVQGIHWPD-CHWSQXEVSA-N -1 3 383.416 0.318 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571228024 953160667 /nfs/dbraw/zinc/16/06/67/953160667.db2.gz GOYFNYVQGIHWPD-CHWSQXEVSA-N -1 3 383.416 0.318 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001571228146 953162505 /nfs/dbraw/zinc/16/25/05/953162505.db2.gz JFOIKPSEHQBWFK-QWRGUYRKSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001571228146 953162506 /nfs/dbraw/zinc/16/25/06/953162506.db2.gz JFOIKPSEHQBWFK-QWRGUYRKSA-N -1 3 383.420 0.138 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571228136 953162635 /nfs/dbraw/zinc/16/26/35/953162635.db2.gz IYGKMOBDYWHJLG-JQWIXIFHSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571228136 953162638 /nfs/dbraw/zinc/16/26/38/953162638.db2.gz IYGKMOBDYWHJLG-JQWIXIFHSA-N -1 3 383.416 0.845 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CC2(C)C)[nH]c1=O ZINC001571228177 953162685 /nfs/dbraw/zinc/16/26/85/953162685.db2.gz KFGQBBKGJYNUKS-ZDUSSCGKSA-N -1 3 383.416 0.346 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CC2(C)C)[nH]c1=O ZINC001571228177 953162687 /nfs/dbraw/zinc/16/26/87/953162687.db2.gz KFGQBBKGJYNUKS-ZDUSSCGKSA-N -1 3 383.416 0.346 20 0 GCADHM Cc1nonc1CN1CC[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571228233 953162907 /nfs/dbraw/zinc/16/29/07/953162907.db2.gz LLNKHVKNSDGKKF-KRWDZBQOSA-N -1 3 383.416 0.624 20 0 GCADHM Cc1nonc1CN1CC[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571228233 953162910 /nfs/dbraw/zinc/16/29/10/953162910.db2.gz LLNKHVKNSDGKKF-KRWDZBQOSA-N -1 3 383.416 0.624 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571228191 953162929 /nfs/dbraw/zinc/16/29/29/953162929.db2.gz KOBSAHKNGKHHLI-LLVKDONJSA-N -1 3 383.416 0.211 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571228191 953162931 /nfs/dbraw/zinc/16/29/31/953162931.db2.gz KOBSAHKNGKHHLI-LLVKDONJSA-N -1 3 383.416 0.211 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCO[C@H](CNCc2ncccn2)C1 ZINC001571228283 953163962 /nfs/dbraw/zinc/16/39/62/953163962.db2.gz MNENYUDFLJLMKH-CYBMUJFWSA-N -1 3 383.416 0.006 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCO[C@H](CNCc2ncccn2)C1 ZINC001571228283 953163963 /nfs/dbraw/zinc/16/39/63/953163963.db2.gz MNENYUDFLJLMKH-CYBMUJFWSA-N -1 3 383.416 0.006 20 0 GCADHM CCc1nc(NC[C@H]2CCCCN2C(=O)c2cn[nH]n2)cc(-c2nnn[n-]2)n1 ZINC001571228419 953164437 /nfs/dbraw/zinc/16/44/37/953164437.db2.gz OXMCDKYZJPRYKA-SNVBAGLBSA-N -1 3 383.420 0.444 20 0 GCADHM Cn1ccnc1[C@H]1C[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001571228586 953165180 /nfs/dbraw/zinc/16/51/80/953165180.db2.gz SMWLPYRNHVRYNB-TZMCWYRMSA-N -1 3 383.416 0.715 20 0 GCADHM Cn1ccnc1[C@H]1C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001571228586 953165184 /nfs/dbraw/zinc/16/51/84/953165184.db2.gz SMWLPYRNHVRYNB-TZMCWYRMSA-N -1 3 383.416 0.715 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2ncc[nH]2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571228655 953166157 /nfs/dbraw/zinc/16/61/57/953166157.db2.gz UWMSRHXZNYDYCD-GFCCVEGCSA-N -1 3 383.416 0.733 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2ncc[nH]2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571228655 953166158 /nfs/dbraw/zinc/16/61/58/953166158.db2.gz UWMSRHXZNYDYCD-GFCCVEGCSA-N -1 3 383.416 0.733 20 0 GCADHM Cc1nonc1C(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228829 953167087 /nfs/dbraw/zinc/16/70/87/953167087.db2.gz WEUCQWLRJGQADP-ZYHUDNBSSA-N -1 3 383.416 0.988 20 0 GCADHM Cc1nonc1C(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228829 953167088 /nfs/dbraw/zinc/16/70/88/953167088.db2.gz WEUCQWLRJGQADP-ZYHUDNBSSA-N -1 3 383.416 0.988 20 0 GCADHM Cn1c(C(=O)N[C@H]2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)c[nH]c1=O ZINC001571229005 953167740 /nfs/dbraw/zinc/16/77/40/953167740.db2.gz YDDYFXLZSPKRRF-PWSUYJOCSA-N -1 3 383.416 0.711 20 0 GCADHM Cn1c(C(=O)N[C@H]2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)c[nH]c1=O ZINC001571229005 953167741 /nfs/dbraw/zinc/16/77/41/953167741.db2.gz YDDYFXLZSPKRRF-PWSUYJOCSA-N -1 3 383.416 0.711 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)CCn2cnnn2)ccc1-c1nnn[n-]1 ZINC001571229183 953168449 /nfs/dbraw/zinc/16/84/49/953168449.db2.gz AOBWRQCGUZFXIH-GFCCVEGCSA-N -1 3 383.420 0.050 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)CCn2cnnn2)ccc1-c1nn[n-]n1 ZINC001571229183 953168453 /nfs/dbraw/zinc/16/84/53/953168453.db2.gz AOBWRQCGUZFXIH-GFCCVEGCSA-N -1 3 383.420 0.050 20 0 GCADHM O=C(NCCn1cncn1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571229991 953173141 /nfs/dbraw/zinc/17/31/41/953173141.db2.gz QKHORXWIVXUUNR-CYBMUJFWSA-N -1 3 383.420 0.139 20 0 GCADHM O=C(NCCn1cncn1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571229991 953173144 /nfs/dbraw/zinc/17/31/44/953173144.db2.gz QKHORXWIVXUUNR-CYBMUJFWSA-N -1 3 383.420 0.139 20 0 GCADHM Cn1nnc(C(=O)N[C@H]2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571230129 953173815 /nfs/dbraw/zinc/17/38/15/953173815.db2.gz SBKADIYMTCRKGD-PWSUYJOCSA-N -1 3 383.420 0.186 20 0 GCADHM Cn1nnc(C(=O)N[C@H]2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571230129 953173817 /nfs/dbraw/zinc/17/38/17/953173817.db2.gz SBKADIYMTCRKGD-PWSUYJOCSA-N -1 3 383.420 0.186 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCC[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571230023 953173985 /nfs/dbraw/zinc/17/39/85/953173985.db2.gz QZFFQTHUHMUBQF-ONGXEEELSA-N -1 3 383.420 0.436 20 0 GCADHM O=C(c1csnn1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571230405 953177024 /nfs/dbraw/zinc/17/70/24/953177024.db2.gz COQGAIPUTDBPOG-ZIAGYGMSSA-N -1 3 383.441 0.997 20 0 GCADHM O=C(c1csnn1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571230405 953177025 /nfs/dbraw/zinc/17/70/25/953177025.db2.gz COQGAIPUTDBPOG-ZIAGYGMSSA-N -1 3 383.441 0.997 20 0 GCADHM C[C@H]1COCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571230975 953181796 /nfs/dbraw/zinc/18/17/96/953181796.db2.gz OPOFDXOHZXTCLM-TTZDDIAXSA-N -1 3 383.456 0.829 20 0 GCADHM C[C@H]1COCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571230975 953181798 /nfs/dbraw/zinc/18/17/98/953181798.db2.gz OPOFDXOHZXTCLM-TTZDDIAXSA-N -1 3 383.456 0.829 20 0 GCADHM O=C(Cc1cccs1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571231070 953182793 /nfs/dbraw/zinc/18/27/93/953182793.db2.gz RLNBZUKIOPQZTF-JYAVWHMHSA-N -1 3 383.437 0.686 20 0 GCADHM O=C(Cc1cccs1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571231070 953182796 /nfs/dbraw/zinc/18/27/96/953182796.db2.gz RLNBZUKIOPQZTF-JYAVWHMHSA-N -1 3 383.437 0.686 20 0 GCADHM O=C(Cc1ccsc1)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571231200 953184075 /nfs/dbraw/zinc/18/40/75/953184075.db2.gz VDZCAFVSNMJWIJ-JYAVWHMHSA-N -1 3 383.437 0.686 20 0 GCADHM O=C(Cc1ccsc1)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571231200 953184077 /nfs/dbraw/zinc/18/40/77/953184077.db2.gz VDZCAFVSNMJWIJ-JYAVWHMHSA-N -1 3 383.437 0.686 20 0 GCADHM C[C@]12CN(C(=O)CC3(O)CCC3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571232077 953185521 /nfs/dbraw/zinc/18/55/21/953185521.db2.gz AZVKWWBMIUGMQY-KDOFPFPSSA-N -1 3 383.456 0.852 20 0 GCADHM C[C@]12CN(C(=O)CC3(O)CCC3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571232077 953185523 /nfs/dbraw/zinc/18/55/23/953185523.db2.gz AZVKWWBMIUGMQY-KDOFPFPSSA-N -1 3 383.456 0.852 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)n1 ZINC001571232691 953188258 /nfs/dbraw/zinc/18/82/58/953188258.db2.gz JDNQNJIFGSWKRA-BARDWOONSA-N -1 3 383.456 0.794 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)n1 ZINC001571232691 953188260 /nfs/dbraw/zinc/18/82/60/953188260.db2.gz JDNQNJIFGSWKRA-BARDWOONSA-N -1 3 383.456 0.794 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571233681 953194326 /nfs/dbraw/zinc/19/43/26/953194326.db2.gz AJPTYPRFEDNNJG-HZSPNIEDSA-N -1 3 383.460 0.036 20 0 GCADHM O=C(CC1CC1)N1CC[C@@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571234343 953201277 /nfs/dbraw/zinc/20/12/77/953201277.db2.gz UQZCDEMCOWGJLK-CQSZACIVSA-N -1 3 383.460 0.180 20 0 GCADHM O=C(CC1CC1)N1CC[C@@H](N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571234343 953201279 /nfs/dbraw/zinc/20/12/79/953201279.db2.gz UQZCDEMCOWGJLK-CQSZACIVSA-N -1 3 383.460 0.180 20 0 GCADHM C[C@]1(NC(=O)c2c[nH]c(=O)cn2)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571234559 953202941 /nfs/dbraw/zinc/20/29/41/953202941.db2.gz BPDMLKIRJKPENM-KRWDZBQOSA-N -1 3 384.375 0.488 20 0 GCADHM C[C@]1(NC(=O)c2c[nH]c(=O)cn2)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571234559 953202943 /nfs/dbraw/zinc/20/29/43/953202943.db2.gz BPDMLKIRJKPENM-KRWDZBQOSA-N -1 3 384.375 0.488 20 0 GCADHM O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001571234562 953202986 /nfs/dbraw/zinc/20/29/86/953202986.db2.gz BSAAICRIBJHGSH-HNNXBMFYSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001571234562 953202988 /nfs/dbraw/zinc/20/29/88/953202988.db2.gz BSAAICRIBJHGSH-HNNXBMFYSA-N -1 3 384.371 0.664 20 0 GCADHM Cn1nccc1[C@H](O)CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001571234730 953205262 /nfs/dbraw/zinc/20/52/62/953205262.db2.gz HCZKFSBHPJDZHB-GFCCVEGCSA-N -1 3 383.821 0.266 20 0 GCADHM Cn1nccc1[C@H](O)CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001571234730 953205265 /nfs/dbraw/zinc/20/52/65/953205265.db2.gz HCZKFSBHPJDZHB-GFCCVEGCSA-N -1 3 383.821 0.266 20 0 GCADHM Cn1nccc1[C@@H](O)CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001571234731 953205398 /nfs/dbraw/zinc/20/53/98/953205398.db2.gz HCZKFSBHPJDZHB-LBPRGKRZSA-N -1 3 383.821 0.266 20 0 GCADHM Cn1nccc1[C@@H](O)CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001571234731 953205400 /nfs/dbraw/zinc/20/54/00/953205400.db2.gz HCZKFSBHPJDZHB-LBPRGKRZSA-N -1 3 383.821 0.266 20 0 GCADHM COc1cc(C(=O)NC2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)ncn1 ZINC001571234841 953206322 /nfs/dbraw/zinc/20/63/22/953206322.db2.gz KDGADEKXNNQUJP-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM COc1cc(C(=O)NC2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)ncn1 ZINC001571234841 953206323 /nfs/dbraw/zinc/20/63/23/953206323.db2.gz KDGADEKXNNQUJP-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM C[C@H](NC(=O)c1ccncc1F)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235059 953208726 /nfs/dbraw/zinc/20/87/26/953208726.db2.gz RHJQCSQTAUIVSZ-VIFPVBQESA-N -1 3 384.375 0.619 20 0 GCADHM C[C@H](NC(=O)c1ccncc1F)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235059 953208729 /nfs/dbraw/zinc/20/87/29/953208729.db2.gz RHJQCSQTAUIVSZ-VIFPVBQESA-N -1 3 384.375 0.619 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)c3cncc(F)c3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571235418 953211981 /nfs/dbraw/zinc/21/19/81/953211981.db2.gz CXJUUSFZQQLWHC-KGLIPLIRSA-N -1 3 384.375 0.084 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)c3cncc(F)c3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571235418 953211984 /nfs/dbraw/zinc/21/19/84/953211984.db2.gz CXJUUSFZQQLWHC-KGLIPLIRSA-N -1 3 384.375 0.084 20 0 GCADHM O=C(NC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)c1c[nH]c(=O)cn1 ZINC001571235391 953212021 /nfs/dbraw/zinc/21/20/21/953212021.db2.gz CCOZAKXCUDJPLV-JTQLQIEISA-N -1 3 384.375 0.345 20 0 GCADHM O=C(NC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)c1c[nH]c(=O)cn1 ZINC001571235391 953212024 /nfs/dbraw/zinc/21/20/24/953212024.db2.gz CCOZAKXCUDJPLV-JTQLQIEISA-N -1 3 384.375 0.345 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)c1cncc(F)c1 ZINC001571235390 953212120 /nfs/dbraw/zinc/21/21/20/953212120.db2.gz CCKUEARVBPWISP-ZDUSSCGKSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)c1cncc(F)c1 ZINC001571235390 953212121 /nfs/dbraw/zinc/21/21/21/953212121.db2.gz CCKUEARVBPWISP-ZDUSSCGKSA-N -1 3 384.375 0.431 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1CNC(=O)c1cnco1 ZINC001571235380 953212139 /nfs/dbraw/zinc/21/21/39/953212139.db2.gz BYQAHFUDLHPOSS-MNOVXSKESA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1CNC(=O)c1cnco1 ZINC001571235380 953212141 /nfs/dbraw/zinc/21/21/41/953212141.db2.gz BYQAHFUDLHPOSS-MNOVXSKESA-N -1 3 384.400 0.711 20 0 GCADHM COC[C@@H]1COCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC001571235419 953212320 /nfs/dbraw/zinc/21/23/20/953212320.db2.gz DBEQZHSIWWDEHC-CYBMUJFWSA-N -1 3 384.400 0.122 20 0 GCADHM COC[C@@H]1COCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001571235419 953212323 /nfs/dbraw/zinc/21/23/23/953212323.db2.gz DBEQZHSIWWDEHC-CYBMUJFWSA-N -1 3 384.400 0.122 20 0 GCADHM CCc1ncoc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001571235442 953212381 /nfs/dbraw/zinc/21/23/81/953212381.db2.gz FDJPICSEIMDGIH-VHSXEESVSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ncoc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571235442 953212391 /nfs/dbraw/zinc/21/23/91/953212391.db2.gz FDJPICSEIMDGIH-VHSXEESVSA-N -1 3 384.400 0.778 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncc(-c3nnn[n-]3)cc2F)nn1 ZINC001571235397 953212489 /nfs/dbraw/zinc/21/24/89/953212489.db2.gz CKYIKZJLACXHGN-CDMKHQONSA-N -1 3 384.379 0.069 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncc(-c3nn[n-]n3)cc2F)nn1 ZINC001571235397 953212491 /nfs/dbraw/zinc/21/24/91/953212491.db2.gz CKYIKZJLACXHGN-CDMKHQONSA-N -1 3 384.379 0.069 20 0 GCADHM O=C(NCC1CC(NC(=O)c2ncccc2F)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571235485 953212659 /nfs/dbraw/zinc/21/26/59/953212659.db2.gz GKPQPHXSPXSKIK-UHFFFAOYSA-N -1 3 384.375 0.667 20 0 GCADHM O=C(NCC1CC(NC(=O)c2ncccc2F)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571235485 953212663 /nfs/dbraw/zinc/21/26/63/953212663.db2.gz GKPQPHXSPXSKIK-UHFFFAOYSA-N -1 3 384.375 0.667 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)Cc2cnoc2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571235489 953212960 /nfs/dbraw/zinc/21/29/60/953212960.db2.gz GNFGNCUJOWFOKL-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)Cc2cnoc2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571235489 953212961 /nfs/dbraw/zinc/21/29/61/953212961.db2.gz GNFGNCUJOWFOKL-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1cccc(F)c1-c1nnn[n-]1)c1cccnn1 ZINC001571235520 953213044 /nfs/dbraw/zinc/21/30/44/953213044.db2.gz HFJOPCVQUCYFFU-LLVKDONJSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1cccc(F)c1-c1nn[n-]n1)c1cccnn1 ZINC001571235520 953213047 /nfs/dbraw/zinc/21/30/47/953213047.db2.gz HFJOPCVQUCYFFU-LLVKDONJSA-N -1 3 384.375 0.431 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCCN1C(=O)c1cnco1 ZINC001571235447 953213163 /nfs/dbraw/zinc/21/31/63/953213163.db2.gz FGTDJJGDVHAEQJ-MFKMUULPSA-N -1 3 384.400 0.996 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCCN1C(=O)c1cnco1 ZINC001571235447 953213166 /nfs/dbraw/zinc/21/31/66/953213166.db2.gz FGTDJJGDVHAEQJ-MFKMUULPSA-N -1 3 384.400 0.996 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCCN1C(=O)c1cnco1 ZINC001571235446 953213208 /nfs/dbraw/zinc/21/32/08/953213208.db2.gz FGTDJJGDVHAEQJ-GXFFZTMASA-N -1 3 384.400 0.996 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCCN1C(=O)c1cnco1 ZINC001571235446 953213209 /nfs/dbraw/zinc/21/32/09/953213209.db2.gz FGTDJJGDVHAEQJ-GXFFZTMASA-N -1 3 384.400 0.996 20 0 GCADHM CCc1ocnc1C(=O)NC1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571235544 953213938 /nfs/dbraw/zinc/21/39/38/953213938.db2.gz HUJWDSOAFYLNSC-UHFFFAOYSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ocnc1C(=O)NC1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571235544 953213940 /nfs/dbraw/zinc/21/39/40/953213940.db2.gz HUJWDSOAFYLNSC-UHFFFAOYSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235658 953214667 /nfs/dbraw/zinc/21/46/67/953214667.db2.gz MIWQJUCVTWBKJD-JTQLQIEISA-N -1 3 384.400 0.732 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235658 953214670 /nfs/dbraw/zinc/21/46/70/953214670.db2.gz MIWQJUCVTWBKJD-JTQLQIEISA-N -1 3 384.400 0.732 20 0 GCADHM COCc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)no1 ZINC001571235712 953215122 /nfs/dbraw/zinc/21/51/22/953215122.db2.gz OKLPUGOSNKXMCM-NSHDSACASA-N -1 3 384.400 0.713 20 0 GCADHM COCc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)no1 ZINC001571235712 953215125 /nfs/dbraw/zinc/21/51/25/953215125.db2.gz OKLPUGOSNKXMCM-NSHDSACASA-N -1 3 384.400 0.713 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cocn2)C1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571235687 953215316 /nfs/dbraw/zinc/21/53/16/953215316.db2.gz NIANDEBGODWUPK-LLVKDONJSA-N -1 3 384.400 0.807 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cocn2)C1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571235687 953215318 /nfs/dbraw/zinc/21/53/18/953215318.db2.gz NIANDEBGODWUPK-LLVKDONJSA-N -1 3 384.400 0.807 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC001571236139 953215627 /nfs/dbraw/zinc/21/56/27/953215627.db2.gz RVSLYLWVTVZYJD-HZMBPMFUSA-N -1 3 384.400 0.182 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC001571236139 953215631 /nfs/dbraw/zinc/21/56/31/953215631.db2.gz RVSLYLWVTVZYJD-HZMBPMFUSA-N -1 3 384.400 0.182 20 0 GCADHM Cc1ncc(CC(=O)N[C@@H]2[C@H]3CN(c4ncc(-c5nnn[n-]5)cc4F)C[C@H]32)o1 ZINC001571235927 953216092 /nfs/dbraw/zinc/21/60/92/953216092.db2.gz ROODNVHGWXHFJM-JYAVWHMHSA-N -1 3 384.375 0.491 20 0 GCADHM Cc1ncc(CC(=O)N[C@@H]2[C@H]3CN(c4ncc(-c5nn[n-]n5)cc4F)C[C@H]32)o1 ZINC001571235927 953216097 /nfs/dbraw/zinc/21/60/97/953216097.db2.gz ROODNVHGWXHFJM-JYAVWHMHSA-N -1 3 384.375 0.491 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001571235883 953216124 /nfs/dbraw/zinc/21/61/24/953216124.db2.gz QSIHSVPKYRLCCG-URLYPYJESA-N -1 3 384.375 0.894 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571236169 953216448 /nfs/dbraw/zinc/21/64/48/953216448.db2.gz TUZOAKTZNXBOHQ-GHMZBOCLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571236169 953216451 /nfs/dbraw/zinc/21/64/51/953216451.db2.gz TUZOAKTZNXBOHQ-GHMZBOCLSA-N -1 3 384.400 0.854 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1ncccc1F ZINC001571236194 953216880 /nfs/dbraw/zinc/21/68/80/953216880.db2.gz USAQIKSFEBLBHC-JSGCOSHPSA-N -1 3 384.375 0.165 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1ncccc1F ZINC001571236194 953216882 /nfs/dbraw/zinc/21/68/82/953216882.db2.gz USAQIKSFEBLBHC-JSGCOSHPSA-N -1 3 384.375 0.165 20 0 GCADHM CCCc1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571236158 953216907 /nfs/dbraw/zinc/21/69/07/953216907.db2.gz SMJWUAWROYVMDM-MGCOHNPYSA-N -1 3 384.400 0.826 20 0 GCADHM CCCc1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571236158 953216908 /nfs/dbraw/zinc/21/69/08/953216908.db2.gz SMJWUAWROYVMDM-MGCOHNPYSA-N -1 3 384.400 0.826 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001571236179 953216910 /nfs/dbraw/zinc/21/69/10/953216910.db2.gz UBVSUWFPZXCRRV-CYBMUJFWSA-N -1 3 384.400 0.436 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001571236179 953216912 /nfs/dbraw/zinc/21/69/12/953216912.db2.gz UBVSUWFPZXCRRV-CYBMUJFWSA-N -1 3 384.400 0.436 20 0 GCADHM Cn1ccc(=O)c(C(=O)N2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)c1 ZINC001571236390 953217675 /nfs/dbraw/zinc/21/76/75/953217675.db2.gz YKFZZPUYFNGNGI-UHFFFAOYSA-N -1 3 384.375 0.062 20 0 GCADHM Cn1ccc(=O)c(C(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC001571236390 953217678 /nfs/dbraw/zinc/21/76/78/953217678.db2.gz YKFZZPUYFNGNGI-UHFFFAOYSA-N -1 3 384.375 0.062 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C[C@@H]2O)no1 ZINC001571236662 953217959 /nfs/dbraw/zinc/21/79/59/953217959.db2.gz AQIJJQRJCIETKU-JSGCOSHPSA-N -1 3 384.400 0.236 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C[C@@H]2O)no1 ZINC001571236662 953217961 /nfs/dbraw/zinc/21/79/61/953217961.db2.gz AQIJJQRJCIETKU-JSGCOSHPSA-N -1 3 384.400 0.236 20 0 GCADHM O=C(NCC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)c1cn[nH]c(=O)c1 ZINC001571236425 953218017 /nfs/dbraw/zinc/21/80/17/953218017.db2.gz ZOGUGAKDTIBLTP-UHFFFAOYSA-N -1 3 384.375 0.363 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571236696 953218974 /nfs/dbraw/zinc/21/89/74/953218974.db2.gz BPOFXXSGCSPPEY-NSHDSACASA-N -1 3 384.400 0.394 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571236696 953218978 /nfs/dbraw/zinc/21/89/78/953218978.db2.gz BPOFXXSGCSPPEY-NSHDSACASA-N -1 3 384.400 0.394 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571237002 953219712 /nfs/dbraw/zinc/21/97/12/953219712.db2.gz FCDCJVXLKIVYAI-RNCFNFMXSA-N -1 3 384.404 0.126 20 0 GCADHM Cc1ncoc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001571236973 953219755 /nfs/dbraw/zinc/21/97/55/953219755.db2.gz DJVHWUFXTIUFPT-CHWSQXEVSA-N -1 3 384.400 0.236 20 0 GCADHM Cc1ncoc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001571236973 953219758 /nfs/dbraw/zinc/21/97/58/953219758.db2.gz DJVHWUFXTIUFPT-CHWSQXEVSA-N -1 3 384.400 0.236 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCc1ccon1 ZINC001571237218 953220252 /nfs/dbraw/zinc/22/02/52/953220252.db2.gz GKEJUSMJGORMEB-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCc1ccon1 ZINC001571237218 953220253 /nfs/dbraw/zinc/22/02/53/953220253.db2.gz GKEJUSMJGORMEB-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM CCN(CCC(=O)NC)C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001571237222 953220334 /nfs/dbraw/zinc/22/03/34/953220334.db2.gz GNGZOYUELFIBOE-UHFFFAOYSA-N -1 3 384.404 0.437 20 0 GCADHM CCN(CCC(=O)NC)C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001571237222 953220336 /nfs/dbraw/zinc/22/03/36/953220336.db2.gz GNGZOYUELFIBOE-UHFFFAOYSA-N -1 3 384.404 0.437 20 0 GCADHM Cc1ncoc1C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571237207 953220602 /nfs/dbraw/zinc/22/06/02/953220602.db2.gz GHZCXBKIVUWEPN-UHFFFAOYSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1ncoc1C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571237207 953220603 /nfs/dbraw/zinc/22/06/03/953220603.db2.gz GHZCXBKIVUWEPN-UHFFFAOYSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571237148 953220805 /nfs/dbraw/zinc/22/08/05/953220805.db2.gz FUYGCTZNRFPXET-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571237148 953220809 /nfs/dbraw/zinc/22/08/09/953220809.db2.gz FUYGCTZNRFPXET-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1ncc(CC(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001571237641 953222245 /nfs/dbraw/zinc/22/22/45/953222245.db2.gz KGBINSYSVUIWGK-KLPPZKSPSA-N -1 3 384.400 0.359 20 0 GCADHM Cc1ncc(CC(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001571237641 953222247 /nfs/dbraw/zinc/22/22/47/953222247.db2.gz KGBINSYSVUIWGK-KLPPZKSPSA-N -1 3 384.400 0.359 20 0 GCADHM Cc1noc(C)c1CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571237722 953222877 /nfs/dbraw/zinc/22/28/77/953222877.db2.gz MUAMTJZFTFFWGA-HAQNSBGRSA-N -1 3 384.400 0.419 20 0 GCADHM Cc1noc(C)c1CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571237722 953222881 /nfs/dbraw/zinc/22/28/81/953222881.db2.gz MUAMTJZFTFFWGA-HAQNSBGRSA-N -1 3 384.400 0.419 20 0 GCADHM Cc1ncc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)o1 ZINC001571237941 953223990 /nfs/dbraw/zinc/22/39/90/953223990.db2.gz OQPBLPUGAAXKPM-ZANVPECISA-N -1 3 384.400 0.453 20 0 GCADHM Cc1ncc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)o1 ZINC001571237941 953223992 /nfs/dbraw/zinc/22/39/92/953223992.db2.gz OQPBLPUGAAXKPM-ZANVPECISA-N -1 3 384.400 0.453 20 0 GCADHM COc1cc(CCC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)on1 ZINC001571237988 953224321 /nfs/dbraw/zinc/22/43/21/953224321.db2.gz PZONHTIFQRZHFC-LBPRGKRZSA-N -1 3 384.400 0.904 20 0 GCADHM COc1cc(CCC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)on1 ZINC001571237988 953224322 /nfs/dbraw/zinc/22/43/22/953224322.db2.gz PZONHTIFQRZHFC-LBPRGKRZSA-N -1 3 384.400 0.904 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)no1 ZINC001571237975 953224340 /nfs/dbraw/zinc/22/43/40/953224340.db2.gz PJIHQRYXMCEYEZ-MWLCHTKSSA-N -1 3 384.400 0.629 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)no1 ZINC001571237975 953224342 /nfs/dbraw/zinc/22/43/42/953224342.db2.gz PJIHQRYXMCEYEZ-MWLCHTKSSA-N -1 3 384.400 0.629 20 0 GCADHM COc1nc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)co1 ZINC001571238014 953224927 /nfs/dbraw/zinc/22/49/27/953224927.db2.gz RCDPOQREVOISGN-UHFFFAOYSA-N -1 3 384.400 0.919 20 0 GCADHM COc1nc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)co1 ZINC001571238014 953224933 /nfs/dbraw/zinc/22/49/33/953224933.db2.gz RCDPOQREVOISGN-UHFFFAOYSA-N -1 3 384.400 0.919 20 0 GCADHM Cc1cnoc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571238072 953225375 /nfs/dbraw/zinc/22/53/75/953225375.db2.gz SXUAUMBBFSRWJM-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cnoc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571238072 953225378 /nfs/dbraw/zinc/22/53/78/953225378.db2.gz SXUAUMBBFSRWJM-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001571238154 953226675 /nfs/dbraw/zinc/22/66/75/953226675.db2.gz VNSOHAHLLAAZQP-NSHDSACASA-N -1 3 384.400 0.868 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001571238154 953226676 /nfs/dbraw/zinc/22/66/76/953226676.db2.gz VNSOHAHLLAAZQP-NSHDSACASA-N -1 3 384.400 0.868 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCCN2c2nc(C)ccc2-c2nnn[n-]2)on1 ZINC001571238234 953227336 /nfs/dbraw/zinc/22/73/36/953227336.db2.gz XNNWXGICXBQDIU-NSHDSACASA-N -1 3 384.400 0.966 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCCN2c2nc(C)ccc2-c2nn[n-]n2)on1 ZINC001571238234 953227339 /nfs/dbraw/zinc/22/73/39/953227339.db2.gz XNNWXGICXBQDIU-NSHDSACASA-N -1 3 384.400 0.966 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)n1 ZINC001571238716 953232645 /nfs/dbraw/zinc/23/26/45/953232645.db2.gz KTAADAAUZLRATJ-MGCOHNPYSA-N -1 3 384.404 0.025 20 0 GCADHM CN(C(=O)c1nc[nH]n1)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571239334 953238151 /nfs/dbraw/zinc/23/81/51/953238151.db2.gz UDCWMEZVKYXZAG-UHFFFAOYSA-N -1 3 384.404 0.126 20 0 GCADHM C[C@H](NC(=O)c1ccn(C)n1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571239747 953242079 /nfs/dbraw/zinc/24/20/79/953242079.db2.gz RXLXMDDFEXVLBO-NSHDSACASA-N -1 3 384.419 0.990 20 0 GCADHM Cn1cc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)[nH]c1=O ZINC001571239774 953243130 /nfs/dbraw/zinc/24/31/30/953243130.db2.gz XQDJJJPNEILHJD-LLVKDONJSA-N -1 3 384.404 0.059 20 0 GCADHM CCn1ccc(CC(=O)NC2CN(Cc3cc(F)ccc3-c3nnn[n-]3)C2)n1 ZINC001571239994 953245754 /nfs/dbraw/zinc/24/57/54/953245754.db2.gz WUWGOYOQWJYYSC-UHFFFAOYSA-N -1 3 384.419 0.765 20 0 GCADHM CCn1ccc(CC(=O)NC2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)n1 ZINC001571239994 953245757 /nfs/dbraw/zinc/24/57/57/953245757.db2.gz WUWGOYOQWJYYSC-UHFFFAOYSA-N -1 3 384.419 0.765 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)[C@@H]2C)C1 ZINC001571241642 953247792 /nfs/dbraw/zinc/24/77/92/953247792.db2.gz HBVXSOVKWZJYKC-IAQYHMDHSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)[C@@H]2C)C1 ZINC001571241642 953247794 /nfs/dbraw/zinc/24/77/94/953247794.db2.gz HBVXSOVKWZJYKC-IAQYHMDHSA-N -1 3 384.444 0.214 20 0 GCADHM O=C(Cn1ccnc1)N[C@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571241630 953247886 /nfs/dbraw/zinc/24/78/86/953247886.db2.gz GTHSUUDQTVLLFB-HNNXBMFYSA-N -1 3 384.419 0.983 20 0 GCADHM Cn1cc(CC(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)cn1 ZINC001571241672 953248892 /nfs/dbraw/zinc/24/88/92/953248892.db2.gz HSRWEAHEBQFQNN-AWEZNQCLSA-N -1 3 384.419 0.673 20 0 GCADHM NS(=O)(=O)c1cccc2c1CCN(C(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571241842 953250242 /nfs/dbraw/zinc/25/02/42/953250242.db2.gz MWIJYPPKRQHHDS-UHFFFAOYSA-N -1 3 384.421 0.713 20 0 GCADHM NS(=O)(=O)c1cccc2c1CCN(C(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001571241842 953250246 /nfs/dbraw/zinc/25/02/46/953250246.db2.gz MWIJYPPKRQHHDS-UHFFFAOYSA-N -1 3 384.421 0.713 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H]2CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571241898 953251488 /nfs/dbraw/zinc/25/14/88/953251488.db2.gz PAETUWTUUCHFCD-AWEZNQCLSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H]2CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571241898 953251489 /nfs/dbraw/zinc/25/14/89/953251489.db2.gz PAETUWTUUCHFCD-AWEZNQCLSA-N -1 3 384.444 0.451 20 0 GCADHM Cn1ccc(CC(=O)N[C@H]2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)n1 ZINC001571242002 953252587 /nfs/dbraw/zinc/25/25/87/953252587.db2.gz SNZYFZSQSZUGLW-AWEZNQCLSA-N -1 3 384.419 0.673 20 0 GCADHM C[C@]1(NC(=O)[C@@H]2CCNC(=O)CC2)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242161 953253705 /nfs/dbraw/zinc/25/37/05/953253705.db2.gz BZOAUJFOXRRSLK-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(NC(=O)[C@@H]2CCNC(=O)CC2)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242161 953253707 /nfs/dbraw/zinc/25/37/07/953253707.db2.gz BZOAUJFOXRRSLK-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC001571242182 953253769 /nfs/dbraw/zinc/25/37/69/953253769.db2.gz CAMBXGMLBYMPOH-DGCLKSJQSA-N -1 3 384.444 0.119 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC001571242182 953253770 /nfs/dbraw/zinc/25/37/70/953253770.db2.gz CAMBXGMLBYMPOH-DGCLKSJQSA-N -1 3 384.444 0.119 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1CNC(=O)C1=CCOCC1 ZINC001571242265 953254901 /nfs/dbraw/zinc/25/49/01/953254901.db2.gz YBODVNZMBPRVGZ-MRXNPFEDSA-N -1 3 384.440 0.913 20 0 GCADHM O=C(c1cscn1)N1[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571242301 953255672 /nfs/dbraw/zinc/25/56/72/953255672.db2.gz YSYYDOBXYGVMOV-PHIMTYICSA-N -1 3 384.425 0.781 20 0 GCADHM O=C(c1cscn1)N1[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571242301 953255674 /nfs/dbraw/zinc/25/56/74/953255674.db2.gz YSYYDOBXYGVMOV-PHIMTYICSA-N -1 3 384.425 0.781 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CC[C@@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001571242419 953255989 /nfs/dbraw/zinc/25/59/89/953255989.db2.gz FUDMPZVWPQEMIP-STQMWFEESA-N -1 3 384.444 0.261 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CC[C@@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001571242419 953255991 /nfs/dbraw/zinc/25/59/91/953255991.db2.gz FUDMPZVWPQEMIP-STQMWFEESA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242442 953256343 /nfs/dbraw/zinc/25/63/43/953256343.db2.gz GHRXDJGTLABIDO-QEJZJMRPSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242442 953256344 /nfs/dbraw/zinc/25/63/44/953256344.db2.gz GHRXDJGTLABIDO-QEJZJMRPSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571242454 953256480 /nfs/dbraw/zinc/25/64/80/953256480.db2.gz GTAYBTKTBHHVEA-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571242454 953256484 /nfs/dbraw/zinc/25/64/84/953256484.db2.gz GTAYBTKTBHHVEA-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001571242516 953256800 /nfs/dbraw/zinc/25/68/00/953256800.db2.gz IEBGJFGBPOJQQA-TZMCWYRMSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001571242516 953256806 /nfs/dbraw/zinc/25/68/06/953256806.db2.gz IEBGJFGBPOJQQA-TZMCWYRMSA-N -1 3 384.444 0.676 20 0 GCADHM CCC1(Nc2ncccc2-c2nnn[n-]2)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001571242508 953257309 /nfs/dbraw/zinc/25/73/09/953257309.db2.gz IDAFSZZCZJSGOM-CYBMUJFWSA-N -1 3 384.444 0.723 20 0 GCADHM CCC1(Nc2ncccc2-c2nn[n-]n2)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001571242508 953257313 /nfs/dbraw/zinc/25/73/13/953257313.db2.gz IDAFSZZCZJSGOM-CYBMUJFWSA-N -1 3 384.444 0.723 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)CN2CCCC2=O)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571242634 953258667 /nfs/dbraw/zinc/25/86/67/953258667.db2.gz KOVKLEQYBBOGIY-TZMCWYRMSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)CN2CCCC2=O)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571242634 953258669 /nfs/dbraw/zinc/25/86/69/953258669.db2.gz KOVKLEQYBBOGIY-TZMCWYRMSA-N -1 3 384.444 0.358 20 0 GCADHM CN(C(=O)[C@]1(C)CCC(=O)N1)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571242677 953258893 /nfs/dbraw/zinc/25/88/93/953258893.db2.gz LIDRTBBXFNDGOH-SFHVURJKSA-N -1 3 384.444 0.358 20 0 GCADHM CN(C(=O)[C@]1(C)CCC(=O)N1)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571242677 953258897 /nfs/dbraw/zinc/25/88/97/953258897.db2.gz LIDRTBBXFNDGOH-SFHVURJKSA-N -1 3 384.444 0.358 20 0 GCADHM CCN1C[C@@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571242759 953259439 /nfs/dbraw/zinc/25/94/39/953259439.db2.gz NJPZAAKKAJWMCE-KBPBESRZSA-N -1 3 384.444 0.533 20 0 GCADHM CCN1C[C@@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571242759 953259440 /nfs/dbraw/zinc/25/94/40/953259440.db2.gz NJPZAAKKAJWMCE-KBPBESRZSA-N -1 3 384.444 0.533 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571242767 953259500 /nfs/dbraw/zinc/25/95/00/953259500.db2.gz NMEXXTUVBNZBDI-YUTCNCBUSA-N -1 3 384.444 0.058 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571242767 953259502 /nfs/dbraw/zinc/25/95/02/953259502.db2.gz NMEXXTUVBNZBDI-YUTCNCBUSA-N -1 3 384.444 0.058 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC001571242843 953259970 /nfs/dbraw/zinc/25/99/70/953259970.db2.gz PGUIBZOCVXVDTR-KBPBESRZSA-N -1 3 384.444 0.200 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)C1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 ZINC001571242843 953259976 /nfs/dbraw/zinc/25/99/76/953259976.db2.gz PGUIBZOCVXVDTR-KBPBESRZSA-N -1 3 384.444 0.200 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC001571242844 953260509 /nfs/dbraw/zinc/26/05/09/953260509.db2.gz PGUIBZOCVXVDTR-KGLIPLIRSA-N -1 3 384.444 0.200 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)C1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 ZINC001571242844 953260514 /nfs/dbraw/zinc/26/05/14/953260514.db2.gz PGUIBZOCVXVDTR-KGLIPLIRSA-N -1 3 384.444 0.200 20 0 GCADHM C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571242804 953260542 /nfs/dbraw/zinc/26/05/42/953260542.db2.gz OLRAQYGBJYSMLT-AEDCBLDQSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571242804 953260544 /nfs/dbraw/zinc/26/05/44/953260544.db2.gz OLRAQYGBJYSMLT-AEDCBLDQSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001571242929 953260941 /nfs/dbraw/zinc/26/09/41/953260941.db2.gz REWKAOJHXBYICI-XIKOKIGWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001571242929 953260943 /nfs/dbraw/zinc/26/09/43/953260943.db2.gz REWKAOJHXBYICI-XIKOKIGWSA-N -1 3 384.444 0.438 20 0 GCADHM CN1C[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CC1=O ZINC001571242882 953261076 /nfs/dbraw/zinc/26/10/76/953261076.db2.gz QIDMGRDJYQOHLD-YNEHKIRRSA-N -1 3 384.444 0.437 20 0 GCADHM CN1C[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CC1=O ZINC001571242882 953261078 /nfs/dbraw/zinc/26/10/78/953261078.db2.gz QIDMGRDJYQOHLD-YNEHKIRRSA-N -1 3 384.444 0.437 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1)c1ncccc1-c1nnn[n-]1 ZINC001571242935 953261360 /nfs/dbraw/zinc/26/13/60/953261360.db2.gz RHSXUFOYWPENNF-JSGCOSHPSA-N -1 3 384.444 0.167 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1)c1ncccc1-c1nn[n-]n1 ZINC001571242935 953261361 /nfs/dbraw/zinc/26/13/61/953261361.db2.gz RHSXUFOYWPENNF-JSGCOSHPSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001571242953 953261775 /nfs/dbraw/zinc/26/17/75/953261775.db2.gz RVPUNCYAVXMREL-BXUZGUMPSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001571242953 953261778 /nfs/dbraw/zinc/26/17/78/953261778.db2.gz RVPUNCYAVXMREL-BXUZGUMPSA-N -1 3 384.444 0.579 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 ZINC001571242957 953262028 /nfs/dbraw/zinc/26/20/28/953262028.db2.gz RWCUFALICOKERX-AWEZNQCLSA-N -1 3 384.444 0.310 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)C1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1 ZINC001571242957 953262029 /nfs/dbraw/zinc/26/20/29/953262029.db2.gz RWCUFALICOKERX-AWEZNQCLSA-N -1 3 384.444 0.310 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571243050 953262405 /nfs/dbraw/zinc/26/24/05/953262405.db2.gz USJHFYQYZIACBB-UONOGXRCSA-N -1 3 384.444 0.533 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571243050 953262406 /nfs/dbraw/zinc/26/24/06/953262406.db2.gz USJHFYQYZIACBB-UONOGXRCSA-N -1 3 384.444 0.533 20 0 GCADHM CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571243038 953262543 /nfs/dbraw/zinc/26/25/43/953262543.db2.gz UMJXYJQKXUPCKO-YUTCNCBUSA-N -1 3 384.444 0.119 20 0 GCADHM CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571243038 953262546 /nfs/dbraw/zinc/26/25/46/953262546.db2.gz UMJXYJQKXUPCKO-YUTCNCBUSA-N -1 3 384.444 0.119 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001571243029 953262775 /nfs/dbraw/zinc/26/27/75/953262775.db2.gz UIPBHZSRARHZET-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001571243029 953262777 /nfs/dbraw/zinc/26/27/77/953262777.db2.gz UIPBHZSRARHZET-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571243149 953263248 /nfs/dbraw/zinc/26/32/48/953263248.db2.gz XENFQNKXGFBMAO-STQMWFEESA-N -1 3 384.444 0.073 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571243149 953263251 /nfs/dbraw/zinc/26/32/51/953263251.db2.gz XENFQNKXGFBMAO-STQMWFEESA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571243100 953263588 /nfs/dbraw/zinc/26/35/88/953263588.db2.gz WFRNNJYPZPAYGO-VNHYZAJKSA-N -1 3 384.444 0.640 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571243100 953263590 /nfs/dbraw/zinc/26/35/90/953263590.db2.gz WFRNNJYPZPAYGO-VNHYZAJKSA-N -1 3 384.444 0.640 20 0 GCADHM CC(C)(C)n1ncnc1CN[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571244944 953269116 /nfs/dbraw/zinc/26/91/16/953269116.db2.gz APBCKACIOCRWNN-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CCn1cc(CN2CCCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001571244947 953269208 /nfs/dbraw/zinc/26/92/08/953269208.db2.gz AUCMTZJESPBBQE-CYBMUJFWSA-N -1 3 384.448 0.591 20 0 GCADHM CCn1cc(CN2CCCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001571244947 953269211 /nfs/dbraw/zinc/26/92/11/953269211.db2.gz AUCMTZJESPBBQE-CYBMUJFWSA-N -1 3 384.448 0.591 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571245096 953269723 /nfs/dbraw/zinc/26/97/23/953269723.db2.gz DMAJWJZHWCXHAD-GFCCVEGCSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571245096 953269726 /nfs/dbraw/zinc/26/97/26/953269726.db2.gz DMAJWJZHWCXHAD-GFCCVEGCSA-N -1 3 384.448 0.762 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCN(Cc2nncn2C)C1 ZINC001571245150 953270684 /nfs/dbraw/zinc/27/06/84/953270684.db2.gz DRWYSCNOIJHFND-RYUDHWBXSA-N -1 3 384.448 0.354 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCN(Cc2nncn2C)C1 ZINC001571245150 953270686 /nfs/dbraw/zinc/27/06/86/953270686.db2.gz DRWYSCNOIJHFND-RYUDHWBXSA-N -1 3 384.448 0.354 20 0 GCADHM CCn1nncc1CN1CCC(C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571245733 953275790 /nfs/dbraw/zinc/27/57/90/953275790.db2.gz LJDDVBSQNLLIEP-UHFFFAOYSA-N -1 3 384.448 0.591 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001571246180 953280987 /nfs/dbraw/zinc/28/09/87/953280987.db2.gz VPJMTVQONMHUMH-CQSZACIVSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001571246180 953280990 /nfs/dbraw/zinc/28/09/90/953280990.db2.gz VPJMTVQONMHUMH-CQSZACIVSA-N -1 3 384.448 0.714 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571247555 953283847 /nfs/dbraw/zinc/28/38/47/953283847.db2.gz ANPQWTWHWUCGOG-QWHCGFSZSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571247555 953283848 /nfs/dbraw/zinc/28/38/48/953283848.db2.gz ANPQWTWHWUCGOG-QWHCGFSZSA-N -1 3 384.444 0.438 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCN2C(=O)[C@H]2CCNC(=O)C2)n1 ZINC001571248046 953289182 /nfs/dbraw/zinc/28/91/82/953289182.db2.gz CPXAKFWEBPGKES-QWHCGFSZSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCN2C(=O)[C@H]2CCNC(=O)C2)n1 ZINC001571248046 953289186 /nfs/dbraw/zinc/28/91/86/953289186.db2.gz CPXAKFWEBPGKES-QWHCGFSZSA-N -1 3 384.444 0.499 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001571248112 953290199 /nfs/dbraw/zinc/29/01/99/953290199.db2.gz DXRWTEMHPJZRLJ-OLZOCXBDSA-N -1 3 384.444 0.438 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001571248112 953290201 /nfs/dbraw/zinc/29/02/01/953290201.db2.gz DXRWTEMHPJZRLJ-OLZOCXBDSA-N -1 3 384.444 0.438 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571249152 953301460 /nfs/dbraw/zinc/30/14/60/953301460.db2.gz DYHVHNYLTUBAJI-JTQLQIEISA-N -1 3 384.487 0.006 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571249152 953301463 /nfs/dbraw/zinc/30/14/63/953301463.db2.gz DYHVHNYLTUBAJI-JTQLQIEISA-N -1 3 384.487 0.006 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571249291 953303153 /nfs/dbraw/zinc/30/31/53/953303153.db2.gz NMLPQXJNVCVEHD-CPCZMJQVSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571249291 953303157 /nfs/dbraw/zinc/30/31/57/953303157.db2.gz NMLPQXJNVCVEHD-CPCZMJQVSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(C)(NC(=O)[C@@H]3CCC(=O)N3)CC2)n1 ZINC001571249313 953303612 /nfs/dbraw/zinc/30/36/12/953303612.db2.gz OCJXMSQRCCRUPA-ZDUSSCGKSA-N -1 3 384.444 0.324 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(C)(NC(=O)[C@@H]3CCC(=O)N3)CC2)n1 ZINC001571249313 953303617 /nfs/dbraw/zinc/30/36/17/953303617.db2.gz OCJXMSQRCCRUPA-ZDUSSCGKSA-N -1 3 384.444 0.324 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571250284 953310361 /nfs/dbraw/zinc/31/03/61/953310361.db2.gz PYASQSGWZVNPTI-TZMCWYRMSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571250284 953310366 /nfs/dbraw/zinc/31/03/66/953310366.db2.gz PYASQSGWZVNPTI-TZMCWYRMSA-N -1 3 384.444 0.723 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC001571251762 953319352 /nfs/dbraw/zinc/31/93/52/953319352.db2.gz WDBUNKCUWYQLAD-CHWSQXEVSA-N -1 3 384.444 0.133 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC001571251762 953319356 /nfs/dbraw/zinc/31/93/56/953319356.db2.gz WDBUNKCUWYQLAD-CHWSQXEVSA-N -1 3 384.444 0.133 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571251760 953319481 /nfs/dbraw/zinc/31/94/81/953319481.db2.gz WCZXAKANZBHJES-GFCCVEGCSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571251760 953319485 /nfs/dbraw/zinc/31/94/85/953319485.db2.gz WCZXAKANZBHJES-GFCCVEGCSA-N -1 3 384.444 0.263 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571252200 953325105 /nfs/dbraw/zinc/32/51/05/953325105.db2.gz YRCAXWFICSECQL-STQMWFEESA-N -1 3 384.444 0.324 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571252200 953325107 /nfs/dbraw/zinc/32/51/07/953325107.db2.gz YRCAXWFICSECQL-STQMWFEESA-N -1 3 384.444 0.324 20 0 GCADHM O=C(NC[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1ccc(=O)[nH]n1 ZINC001571254437 953338627 /nfs/dbraw/zinc/33/86/27/953338627.db2.gz DDOINUIXHXETHI-CZMCAQCFSA-N -1 3 385.363 0.517 20 0 GCADHM O=C(NC[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1ccc(=O)[nH]n1 ZINC001571254437 953338630 /nfs/dbraw/zinc/33/86/30/953338630.db2.gz DDOINUIXHXETHI-CZMCAQCFSA-N -1 3 385.363 0.517 20 0 GCADHM C[C@@H](C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1)n1cncn1 ZINC001571254783 953341949 /nfs/dbraw/zinc/34/19/49/953341949.db2.gz IYJLLFBJYNLCLP-LBPRGKRZSA-N -1 3 385.407 0.503 20 0 GCADHM C[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1)n1cncn1 ZINC001571254783 953341952 /nfs/dbraw/zinc/34/19/52/953341952.db2.gz IYJLLFBJYNLCLP-LBPRGKRZSA-N -1 3 385.407 0.503 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)c1cnn(C)c1 ZINC001571254853 953342785 /nfs/dbraw/zinc/34/27/85/953342785.db2.gz KWXADUQDZMEQBP-ZWNOBZJWSA-N -1 3 385.407 0.633 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1cnn(C)c1 ZINC001571254853 953342790 /nfs/dbraw/zinc/34/27/90/953342790.db2.gz KWXADUQDZMEQBP-ZWNOBZJWSA-N -1 3 385.407 0.633 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O)c1ccc[nH]1 ZINC001571254825 953343273 /nfs/dbraw/zinc/34/32/73/953343273.db2.gz KAWYQMRUJVTLKZ-HOCLYGCPSA-N -1 3 385.403 0.699 20 0 GCADHM C[C@H]1CN(C(=O)c2cnon2)CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571254929 953343836 /nfs/dbraw/zinc/34/38/36/953343836.db2.gz CWDPLJNAPPMCSA-UWVGGRQHSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H]1CN(C(=O)c2cnon2)CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571254929 953343841 /nfs/dbraw/zinc/34/38/41/953343841.db2.gz CWDPLJNAPPMCSA-UWVGGRQHSA-N -1 3 385.388 0.106 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)ncn1 ZINC001571255104 953345169 /nfs/dbraw/zinc/34/51/69/953345169.db2.gz IKVZSOVZXJOODD-MGCOHNPYSA-N -1 3 385.363 0.572 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)ncn1 ZINC001571255104 953345174 /nfs/dbraw/zinc/34/51/74/953345174.db2.gz IKVZSOVZXJOODD-MGCOHNPYSA-N -1 3 385.363 0.572 20 0 GCADHM CO[C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571255280 953347195 /nfs/dbraw/zinc/34/71/95/953347195.db2.gz HDPHJPWPDHNQIN-ZIAGYGMSSA-N -1 3 385.384 0.366 20 0 GCADHM CO[C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571255280 953347198 /nfs/dbraw/zinc/34/71/98/953347198.db2.gz HDPHJPWPDHNQIN-ZIAGYGMSSA-N -1 3 385.384 0.366 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1cnn(C)c1 ZINC001571255358 953347488 /nfs/dbraw/zinc/34/74/88/953347488.db2.gz OAWFTBHOCMTXOH-IINYFYTJSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1cnn(C)c1 ZINC001571255358 953347492 /nfs/dbraw/zinc/34/74/92/953347492.db2.gz OAWFTBHOCMTXOH-IINYFYTJSA-N -1 3 385.407 0.778 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)co1 ZINC001571255575 953350950 /nfs/dbraw/zinc/35/09/50/953350950.db2.gz JPKQHQGRRJBYCO-OCCSQVGLSA-N -1 3 385.384 0.102 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)co1 ZINC001571255575 953350954 /nfs/dbraw/zinc/35/09/54/953350954.db2.gz JPKQHQGRRJBYCO-OCCSQVGLSA-N -1 3 385.384 0.102 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1F)C1=CCOCC1 ZINC001571255729 953353288 /nfs/dbraw/zinc/35/32/88/953353288.db2.gz SWZDGFSVKYMPHB-YUELXQCFSA-N -1 3 385.403 0.973 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1F)C1=CCOCC1 ZINC001571255729 953353295 /nfs/dbraw/zinc/35/32/95/953353295.db2.gz SWZDGFSVKYMPHB-YUELXQCFSA-N -1 3 385.403 0.973 20 0 GCADHM Cc1[nH]ccc1C(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O ZINC001571255700 953354169 /nfs/dbraw/zinc/35/41/69/953354169.db2.gz SEZGPYOFNOCHFK-HZPDHXFCSA-N -1 3 385.403 0.617 20 0 GCADHM 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GCADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C ZINC000443209930 531198231 /nfs/dbraw/zinc/19/82/31/531198231.db2.gz GYYUDEVAXRMEEW-NSHDSACASA-N -1 3 391.515 0.518 20 0 GCADHM CCCN([C@H](C)C(=O)OCC)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000443198013 531198249 /nfs/dbraw/zinc/19/82/49/531198249.db2.gz BKZBCIFTYBHOID-GFCCVEGCSA-N -1 3 392.499 0.947 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736655298 598824408 /nfs/dbraw/zinc/82/44/08/598824408.db2.gz AVXVOCLYQXXXGB-DOMZBBRYSA-N -1 3 392.485 0.775 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCN1C(=O)CNC1=O ZINC000737831571 598826005 /nfs/dbraw/zinc/82/60/05/598826005.db2.gz AVNUDKDXZDBTSY-UHFFFAOYSA-N -1 3 387.400 0.084 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCN1C(=O)CNC1=O ZINC000737831571 598826007 /nfs/dbraw/zinc/82/60/07/598826007.db2.gz AVNUDKDXZDBTSY-UHFFFAOYSA-N -1 3 387.400 0.084 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCn1nc2ccccn2c1=O ZINC000737521988 598826584 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3 380.474 0.236 20 0 GCADHM Cn1ccnc1CN1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737615231 598832176 /nfs/dbraw/zinc/83/21/76/598832176.db2.gz FOODNXSEVGBYTE-UHFFFAOYSA-N -1 3 381.444 0.357 20 0 GCADHM Cn1ccnc1CN1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737615231 598832178 /nfs/dbraw/zinc/83/21/78/598832178.db2.gz FOODNXSEVGBYTE-UHFFFAOYSA-N -1 3 381.444 0.357 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736884566 598833533 /nfs/dbraw/zinc/83/35/33/598833533.db2.gz VTAMBPWQRXRNPD-LLVKDONJSA-N -1 3 397.461 0.029 20 0 GCADHM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736508827 598836037 /nfs/dbraw/zinc/83/60/37/598836037.db2.gz OFECEUDHOVZGEP-LLVKDONJSA-N -1 3 387.487 0.701 20 0 GCADHM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736508827 598836038 /nfs/dbraw/zinc/83/60/38/598836038.db2.gz OFECEUDHOVZGEP-LLVKDONJSA-N -1 3 387.487 0.701 20 0 GCADHM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736507157 598836270 /nfs/dbraw/zinc/83/62/70/598836270.db2.gz BADBPMFAWBYRER-LLVKDONJSA-N -1 3 387.487 0.701 20 0 GCADHM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736507157 598836272 /nfs/dbraw/zinc/83/62/72/598836272.db2.gz BADBPMFAWBYRER-LLVKDONJSA-N -1 3 387.487 0.701 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC000735571950 598838343 /nfs/dbraw/zinc/83/83/43/598838343.db2.gz NFCSYSCOVSUELW-WDEREUQCSA-N -1 3 396.477 0.137 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC000735571950 598838345 /nfs/dbraw/zinc/83/83/45/598838345.db2.gz NFCSYSCOVSUELW-WDEREUQCSA-N -1 3 396.477 0.137 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735571949 598838631 /nfs/dbraw/zinc/83/86/31/598838631.db2.gz NFCSYSCOVSUELW-QWRGUYRKSA-N -1 3 396.477 0.137 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735571949 598838632 /nfs/dbraw/zinc/83/86/32/598838632.db2.gz NFCSYSCOVSUELW-QWRGUYRKSA-N -1 3 396.477 0.137 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736656563 598838788 /nfs/dbraw/zinc/83/87/88/598838788.db2.gz JNPAINXWXGEBFH-NSHDSACASA-N -1 3 396.477 0.138 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736656563 598838789 /nfs/dbraw/zinc/83/87/89/598838789.db2.gz JNPAINXWXGEBFH-NSHDSACASA-N -1 3 396.477 0.138 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccnc(N2CCCCC2)n1 ZINC000738078606 598845686 /nfs/dbraw/zinc/84/56/86/598845686.db2.gz STLPMCBWJFWWRA-UHFFFAOYSA-N -1 3 394.443 0.884 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccnc(N2CCCCC2)n1 ZINC000738078606 598845689 /nfs/dbraw/zinc/84/56/89/598845689.db2.gz STLPMCBWJFWWRA-UHFFFAOYSA-N -1 3 394.443 0.884 20 0 GCADHM COC(=O)N[C@@H](C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736936027 598846199 /nfs/dbraw/zinc/84/61/99/598846199.db2.gz MTCQQXNBGQCNCU-CQSZACIVSA-N -1 3 390.400 0.407 20 0 GCADHM COC(=O)N[C@@H](C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736936027 598846200 /nfs/dbraw/zinc/84/62/00/598846200.db2.gz MTCQQXNBGQCNCU-CQSZACIVSA-N -1 3 390.400 0.407 20 0 GCADHM COC(=O)NCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736936214 598846317 /nfs/dbraw/zinc/84/63/17/598846317.db2.gz DCMUUMVHIKLMRJ-JTQLQIEISA-N -1 3 376.373 0.873 20 0 GCADHM COC(=O)NCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736936214 598846319 /nfs/dbraw/zinc/84/63/19/598846319.db2.gz DCMUUMVHIKLMRJ-JTQLQIEISA-N -1 3 376.373 0.873 20 0 GCADHM Cc1oc(NC(=O)COC(=O)CN(C)C(=O)C2CC2)c(-c2nnn[n-]2)c1C ZINC000737552828 598846704 /nfs/dbraw/zinc/84/67/04/598846704.db2.gz QZGNDHRQUJOVFF-UHFFFAOYSA-N -1 3 376.373 0.427 20 0 GCADHM COC(=O)NCCCC(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736939486 598846756 /nfs/dbraw/zinc/84/67/56/598846756.db2.gz ZDPSJXMPHWWHDI-ZDUSSCGKSA-N -1 3 388.384 0.651 20 0 GCADHM COC(=O)NCCCC(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736939486 598846757 /nfs/dbraw/zinc/84/67/57/598846757.db2.gz ZDPSJXMPHWWHDI-ZDUSSCGKSA-N -1 3 388.384 0.651 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)n1C ZINC000737521517 598846956 /nfs/dbraw/zinc/84/69/56/598846956.db2.gz MMTGMQMJZDCVGR-UHFFFAOYSA-N -1 3 397.443 0.027 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)n1C ZINC000737521517 598846957 /nfs/dbraw/zinc/84/69/57/598846957.db2.gz MMTGMQMJZDCVGR-UHFFFAOYSA-N -1 3 397.443 0.027 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000737523875 598853388 /nfs/dbraw/zinc/85/33/88/598853388.db2.gz KNLAEYOGYCZCFO-NSHDSACASA-N -1 3 388.457 0.510 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCS(=O)(=O)[C@@H](C)C1 ZINC000737523875 598853390 /nfs/dbraw/zinc/85/33/90/598853390.db2.gz KNLAEYOGYCZCFO-NSHDSACASA-N -1 3 388.457 0.510 20 0 GCADHM C[C@@]1(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCOC1 ZINC000736214818 598853831 /nfs/dbraw/zinc/85/38/31/598853831.db2.gz QQEICDVFFFOCEG-INIZCTEOSA-N -1 3 396.354 0.949 20 0 GCADHM C[C@@]1(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCOC1 ZINC000736214818 598853832 /nfs/dbraw/zinc/85/38/32/598853832.db2.gz QQEICDVFFFOCEG-INIZCTEOSA-N -1 3 396.354 0.949 20 0 GCADHM CO[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000736960204 598855869 /nfs/dbraw/zinc/85/58/69/598855869.db2.gz GMBFRKSOKNUQRU-VIFPVBQESA-N -1 3 376.270 0.638 20 0 GCADHM CO[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000736960204 598855871 /nfs/dbraw/zinc/85/58/71/598855871.db2.gz GMBFRKSOKNUQRU-VIFPVBQESA-N -1 3 376.270 0.638 20 0 GCADHM O=C(CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1 ZINC000737848431 598856174 /nfs/dbraw/zinc/85/61/74/598856174.db2.gz YWEQLYXCGNFYGK-UHFFFAOYSA-N -1 3 379.380 0.950 20 0 GCADHM O=C(CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1 ZINC000737848431 598856175 /nfs/dbraw/zinc/85/61/75/598856175.db2.gz YWEQLYXCGNFYGK-UHFFFAOYSA-N -1 3 379.380 0.950 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCCS(=O)(=O)N(C)C ZINC000737521485 598858450 /nfs/dbraw/zinc/85/84/50/598858450.db2.gz ANFPLKQJHRLYFX-UHFFFAOYSA-N -1 3 376.446 0.715 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCCS(=O)(=O)N(C)C ZINC000737521485 598858452 /nfs/dbraw/zinc/85/84/52/598858452.db2.gz ANFPLKQJHRLYFX-UHFFFAOYSA-N -1 3 376.446 0.715 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NCc1ccco1 ZINC000737827230 598862007 /nfs/dbraw/zinc/86/20/07/598862007.db2.gz XXWIQKBSECZDRG-AWEZNQCLSA-N -1 3 395.379 0.981 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NCc1ccco1 ZINC000737827230 598862009 /nfs/dbraw/zinc/86/20/09/598862009.db2.gz XXWIQKBSECZDRG-AWEZNQCLSA-N -1 3 395.379 0.981 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000736901086 598862219 /nfs/dbraw/zinc/86/22/19/598862219.db2.gz IEASYGZMGIHHTI-JKSUJKDBSA-N -1 3 383.412 0.678 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000736901086 598862221 /nfs/dbraw/zinc/86/22/21/598862221.db2.gz IEASYGZMGIHHTI-JKSUJKDBSA-N -1 3 383.412 0.678 20 0 GCADHM C[C@@H]1COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736291892 598862850 /nfs/dbraw/zinc/86/28/50/598862850.db2.gz DPDUIEGUZALSKX-BXUZGUMPSA-N -1 3 399.411 0.319 20 0 GCADHM C[C@@H]1COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736291892 598862852 /nfs/dbraw/zinc/86/28/52/598862852.db2.gz DPDUIEGUZALSKX-BXUZGUMPSA-N -1 3 399.411 0.319 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000736910699 598863100 /nfs/dbraw/zinc/86/31/00/598863100.db2.gz YAHKMUQNBAEHES-GJZGRUSLSA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000736910699 598863102 /nfs/dbraw/zinc/86/31/02/598863102.db2.gz YAHKMUQNBAEHES-GJZGRUSLSA-N -1 3 384.400 0.073 20 0 GCADHM CNS(=O)(=O)C1CCN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736885116 598863423 /nfs/dbraw/zinc/86/34/23/598863423.db2.gz XGAMFFRCQBOKFK-AWEZNQCLSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C1CCN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736885116 598863425 /nfs/dbraw/zinc/86/34/25/598863425.db2.gz XGAMFFRCQBOKFK-AWEZNQCLSA-N -1 3 394.457 0.094 20 0 GCADHM C[C@@H]1C[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736233692 598866439 /nfs/dbraw/zinc/86/64/39/598866439.db2.gz GLZZOORTNVJKIV-OSMZGAPFSA-N -1 3 383.412 0.844 20 0 GCADHM C[C@@H]1C[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736233692 598866440 /nfs/dbraw/zinc/86/64/40/598866440.db2.gz GLZZOORTNVJKIV-OSMZGAPFSA-N -1 3 383.412 0.844 20 0 GCADHM CCOCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736624434 598867266 /nfs/dbraw/zinc/86/72/66/598867266.db2.gz XZEMXFIOGOGESJ-CYBMUJFWSA-N -1 3 387.400 0.224 20 0 GCADHM CCOCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736624434 598867268 /nfs/dbraw/zinc/86/72/68/598867268.db2.gz XZEMXFIOGOGESJ-CYBMUJFWSA-N -1 3 387.400 0.224 20 0 GCADHM Cc1noc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000737547795 598867734 /nfs/dbraw/zinc/86/77/34/598867734.db2.gz XUKDEKUADFWVOX-LLVKDONJSA-N -1 3 397.355 0.402 20 0 GCADHM Cc1noc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737547795 598867736 /nfs/dbraw/zinc/86/77/36/598867736.db2.gz XUKDEKUADFWVOX-LLVKDONJSA-N -1 3 397.355 0.402 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)Nc1cn[nH]c1 ZINC000737827123 598867778 /nfs/dbraw/zinc/86/77/78/598867778.db2.gz WWFHBRJCOXRYCO-GFCCVEGCSA-N -1 3 381.356 0.434 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)Nc1cn[nH]c1 ZINC000737827123 598867779 /nfs/dbraw/zinc/86/77/79/598867779.db2.gz WWFHBRJCOXRYCO-GFCCVEGCSA-N -1 3 381.356 0.434 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737786970 598868692 /nfs/dbraw/zinc/86/86/92/598868692.db2.gz WCDMFPUDLNNUCN-UHFFFAOYSA-N -1 3 380.405 0.249 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737786970 598868694 /nfs/dbraw/zinc/86/86/94/598868694.db2.gz WCDMFPUDLNNUCN-UHFFFAOYSA-N -1 3 380.405 0.249 20 0 GCADHM CN(C)c1ncccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736780584 598869473 /nfs/dbraw/zinc/86/94/73/598869473.db2.gz XLHBSKQZDMFCOP-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CN(C)c1ncccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736780584 598869474 /nfs/dbraw/zinc/86/94/74/598869474.db2.gz XLHBSKQZDMFCOP-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CNC(=O)c1cccc(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000736883073 598872090 /nfs/dbraw/zinc/87/20/90/598872090.db2.gz RRDNLIFRXQIOIX-UHFFFAOYSA-N -1 3 378.440 0.944 20 0 GCADHM CNC(=O)c1cccc(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000736883073 598872091 /nfs/dbraw/zinc/87/20/91/598872091.db2.gz RRDNLIFRXQIOIX-UHFFFAOYSA-N -1 3 378.440 0.944 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC1 ZINC000735921130 598874933 /nfs/dbraw/zinc/87/49/33/598874933.db2.gz KQBGCPJWLPQPFG-HNNXBMFYSA-N -1 3 392.485 0.933 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC1 ZINC000735921130 598874934 /nfs/dbraw/zinc/87/49/34/598874934.db2.gz KQBGCPJWLPQPFG-HNNXBMFYSA-N -1 3 392.485 0.933 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000736710639 598874978 /nfs/dbraw/zinc/87/49/78/598874978.db2.gz KPRIMBRPGXMVAS-UHFFFAOYSA-N -1 3 378.393 0.364 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000736710639 598874979 /nfs/dbraw/zinc/87/49/79/598874979.db2.gz KPRIMBRPGXMVAS-UHFFFAOYSA-N -1 3 378.393 0.364 20 0 GCADHM COCCOC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737005425 598876030 /nfs/dbraw/zinc/87/60/30/598876030.db2.gz GKXMPJNWZZGXGI-UHFFFAOYSA-N -1 3 385.421 0.822 20 0 GCADHM COCCOC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737005425 598876032 /nfs/dbraw/zinc/87/60/32/598876032.db2.gz GKXMPJNWZZGXGI-UHFFFAOYSA-N -1 3 385.421 0.822 20 0 GCADHM O=C(COC(=O)COc1ccc(O)cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737904516 598878722 /nfs/dbraw/zinc/87/87/22/598878722.db2.gz OEMJXMPYQZYJNI-UHFFFAOYSA-N -1 3 383.364 0.811 20 0 GCADHM O=C(COC(=O)COc1ccc(O)cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737904516 598878724 /nfs/dbraw/zinc/87/87/24/598878724.db2.gz OEMJXMPYQZYJNI-UHFFFAOYSA-N -1 3 383.364 0.811 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000736814563 598880462 /nfs/dbraw/zinc/88/04/62/598880462.db2.gz QOKNJIYYVVPEJP-UHFFFAOYSA-N -1 3 391.391 0.958 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000736814563 598880464 /nfs/dbraw/zinc/88/04/64/598880464.db2.gz QOKNJIYYVVPEJP-UHFFFAOYSA-N -1 3 391.391 0.958 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736906521 598881664 /nfs/dbraw/zinc/88/16/64/598881664.db2.gz FZIRBECCPLUVQT-CYBMUJFWSA-N -1 3 384.396 0.607 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736906521 598881666 /nfs/dbraw/zinc/88/16/66/598881666.db2.gz FZIRBECCPLUVQT-CYBMUJFWSA-N -1 3 384.396 0.607 20 0 GCADHM COC(=O)[C@@H](NCCNC(=O)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895986 598881833 /nfs/dbraw/zinc/88/18/33/598881833.db2.gz KVXZABGDNFMERT-HNNXBMFYSA-N -1 3 381.396 0.495 20 0 GCADHM COC(=O)[C@@H](NCCNC(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895986 598881834 /nfs/dbraw/zinc/88/18/34/598881834.db2.gz KVXZABGDNFMERT-HNNXBMFYSA-N -1 3 381.396 0.495 20 0 GCADHM COC(=O)[C@@H](C)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736889574 598890726 /nfs/dbraw/zinc/89/07/26/598890726.db2.gz SNTBHNGEFIDOGE-LBPRGKRZSA-N -1 3 398.427 0.732 20 0 GCADHM COC(=O)[C@@H](C)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736889574 598890727 /nfs/dbraw/zinc/89/07/27/598890727.db2.gz SNTBHNGEFIDOGE-LBPRGKRZSA-N -1 3 398.427 0.732 20 0 GCADHM CC(C)(CNC(=O)COc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)CC1 ZINC000735665461 598894618 /nfs/dbraw/zinc/89/46/18/598894618.db2.gz GEQKOPCGXARDEV-UHFFFAOYSA-N -1 3 392.485 0.205 20 0 GCADHM COC(=O)[C@H](OC(=O)C(=O)c1c(C)nn(C)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898678 598894663 /nfs/dbraw/zinc/89/46/63/598894663.db2.gz RCGSLGGQEZWKCE-OAHLLOKOSA-N -1 3 398.379 0.857 20 0 GCADHM COC(=O)[C@H](OC(=O)C(=O)c1c(C)nn(C)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898678 598894664 /nfs/dbraw/zinc/89/46/64/598894664.db2.gz RCGSLGGQEZWKCE-OAHLLOKOSA-N -1 3 398.379 0.857 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899231 598894729 /nfs/dbraw/zinc/89/47/29/598894729.db2.gz UUUJEBJPYYZHOU-OLZOCXBDSA-N -1 3 388.384 0.415 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899231 598894730 /nfs/dbraw/zinc/89/47/30/598894730.db2.gz UUUJEBJPYYZHOU-OLZOCXBDSA-N -1 3 388.384 0.415 20 0 GCADHM COC(=O)[C@H](OC(=O)c1nc2nccc(C)n2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899435 598894854 /nfs/dbraw/zinc/89/48/54/598894854.db2.gz ABCRVWUJMUGUOB-GFCCVEGCSA-N -1 3 394.351 0.684 20 0 GCADHM COC(=O)[C@H](OC(=O)c1nc2nccc(C)n2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899435 598894856 /nfs/dbraw/zinc/89/48/56/598894856.db2.gz ABCRVWUJMUGUOB-GFCCVEGCSA-N -1 3 394.351 0.684 20 0 GCADHM COC(=O)[C@@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901292 598896845 /nfs/dbraw/zinc/89/68/45/598896845.db2.gz YZQFLKBJMGYKRK-HZMBPMFUSA-N -1 3 392.393 0.572 20 0 GCADHM COC(=O)[C@@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901292 598896847 /nfs/dbraw/zinc/89/68/47/598896847.db2.gz YZQFLKBJMGYKRK-HZMBPMFUSA-N -1 3 392.393 0.572 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000735564509 598896940 /nfs/dbraw/zinc/89/69/40/598896940.db2.gz XVGNJIRTFOXPEY-VXGBXAGGSA-N -1 3 393.473 0.194 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000735564509 598896942 /nfs/dbraw/zinc/89/69/42/598896942.db2.gz XVGNJIRTFOXPEY-VXGBXAGGSA-N -1 3 393.473 0.194 20 0 GCADHM COC(=O)[C@H](OC(=O)CS(=O)(=O)CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901018 598898443 /nfs/dbraw/zinc/89/84/43/598898443.db2.gz VYPTWWXUQMKMAM-CQSZACIVSA-N -1 3 396.425 0.695 20 0 GCADHM COC(=O)[C@H](OC(=O)CS(=O)(=O)CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901018 598898444 /nfs/dbraw/zinc/89/84/44/598898444.db2.gz VYPTWWXUQMKMAM-CQSZACIVSA-N -1 3 396.425 0.695 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737763388 598899807 /nfs/dbraw/zinc/89/98/07/598899807.db2.gz CKZLPFDOGXSUJG-SNVBAGLBSA-N -1 3 399.864 0.212 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737763388 598899808 /nfs/dbraw/zinc/89/98/08/598899808.db2.gz CKZLPFDOGXSUJG-SNVBAGLBSA-N -1 3 399.864 0.212 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCCS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900965 598901059 /nfs/dbraw/zinc/90/10/59/598901059.db2.gz VFQHZKGCDODIKW-ZDUSSCGKSA-N -1 3 382.398 0.449 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCCS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900965 598901061 /nfs/dbraw/zinc/90/10/61/598901061.db2.gz VFQHZKGCDODIKW-ZDUSSCGKSA-N -1 3 382.398 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)C1(C(=O)NC2CC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900549 598901331 /nfs/dbraw/zinc/90/13/31/598901331.db2.gz YPDGYEZKMLTDBJ-CYBMUJFWSA-N -1 3 385.380 0.683 20 0 GCADHM COC(=O)[C@H](OC(=O)C1(C(=O)NC2CC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900549 598901332 /nfs/dbraw/zinc/90/13/32/598901332.db2.gz YPDGYEZKMLTDBJ-CYBMUJFWSA-N -1 3 385.380 0.683 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccccn1)Nc1sccc1-c1nnn[n-]1 ZINC000737904424 598902689 /nfs/dbraw/zinc/90/26/89/598902689.db2.gz FYIJCCKPUUZACX-UHFFFAOYSA-N -1 3 387.381 0.235 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccccn1)Nc1sccc1-c1nn[n-]n1 ZINC000737904424 598902690 /nfs/dbraw/zinc/90/26/90/598902690.db2.gz FYIJCCKPUUZACX-UHFFFAOYSA-N -1 3 387.381 0.235 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CC2)n1C ZINC000737291094 598905928 /nfs/dbraw/zinc/90/59/28/598905928.db2.gz HTAOAGWIQSMAAA-UHFFFAOYSA-N -1 3 396.459 0.962 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CC2)n1C ZINC000737291094 598905931 /nfs/dbraw/zinc/90/59/31/598905931.db2.gz HTAOAGWIQSMAAA-UHFFFAOYSA-N -1 3 396.459 0.962 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738073863 598906964 /nfs/dbraw/zinc/90/69/64/598906964.db2.gz CCGYAQIBPZFPMP-JTQLQIEISA-N -1 3 386.338 0.646 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738073863 598906966 /nfs/dbraw/zinc/90/69/66/598906966.db2.gz CCGYAQIBPZFPMP-JTQLQIEISA-N -1 3 386.338 0.646 20 0 GCADHM COC[C@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736970576 598907044 /nfs/dbraw/zinc/90/70/44/598907044.db2.gz CRHOXYVGZRWAAO-ZDUSSCGKSA-N -1 3 386.460 0.908 20 0 GCADHM COC[C@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736970576 598907046 /nfs/dbraw/zinc/90/70/46/598907046.db2.gz CRHOXYVGZRWAAO-ZDUSSCGKSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736282239 598907997 /nfs/dbraw/zinc/90/79/97/598907997.db2.gz WOFWEMDPWGNGAS-MRVPVSSYSA-N -1 3 398.832 0.104 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736282239 598907999 /nfs/dbraw/zinc/90/79/99/598907999.db2.gz WOFWEMDPWGNGAS-MRVPVSSYSA-N -1 3 398.832 0.104 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000737288945 598908659 /nfs/dbraw/zinc/90/86/59/598908659.db2.gz NFIXKEYWSQOSBB-LLVKDONJSA-N -1 3 384.318 0.903 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000737288945 598908661 /nfs/dbraw/zinc/90/86/61/598908661.db2.gz NFIXKEYWSQOSBB-LLVKDONJSA-N -1 3 384.318 0.903 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000735735634 598909767 /nfs/dbraw/zinc/90/97/67/598909767.db2.gz OUYPGJSFICCWQS-DOMZBBRYSA-N -1 3 393.469 0.964 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000735735634 598909768 /nfs/dbraw/zinc/90/97/68/598909768.db2.gz OUYPGJSFICCWQS-DOMZBBRYSA-N -1 3 393.469 0.964 20 0 GCADHM CC(C)(CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)CC1 ZINC000735666686 598911467 /nfs/dbraw/zinc/91/14/67/598911467.db2.gz RKEXDEFATUBQPV-UHFFFAOYSA-N -1 3 391.501 0.238 20 0 GCADHM CC(C)(CNC(=O)COc1cccc(-c2nnn[n-]2)c1)N1CCS(=O)CC1 ZINC000735667324 598911477 /nfs/dbraw/zinc/91/14/77/598911477.db2.gz YVTAJQWTOPEYGO-UHFFFAOYSA-N -1 3 392.485 0.205 20 0 GCADHM CC(C)(CNC(=O)COc1cccc(-c2nn[n-]n2)c1)N1CCS(=O)CC1 ZINC000735667324 598911479 /nfs/dbraw/zinc/91/14/79/598911479.db2.gz YVTAJQWTOPEYGO-UHFFFAOYSA-N -1 3 392.485 0.205 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000738146655 598913858 /nfs/dbraw/zinc/91/38/58/598913858.db2.gz ZDRJTKCOXGRGTE-SECBINFHSA-N -1 3 386.803 0.855 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000738146655 598913860 /nfs/dbraw/zinc/91/38/60/598913860.db2.gz ZDRJTKCOXGRGTE-SECBINFHSA-N -1 3 386.803 0.855 20 0 GCADHM Cc1nc(NC(=O)C=Cc2cnn(C)c2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737481564 598924432 /nfs/dbraw/zinc/92/44/32/598924432.db2.gz ZDSKBSDUPOWNBE-FPYGCLRLSA-N -1 3 376.384 0.563 20 0 GCADHM CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736617653 598929506 /nfs/dbraw/zinc/92/95/06/598929506.db2.gz ZSQPDFRUZCFQGU-LBPRGKRZSA-N -1 3 376.417 0.940 20 0 GCADHM CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736617653 598929507 /nfs/dbraw/zinc/92/95/07/598929507.db2.gz ZSQPDFRUZCFQGU-LBPRGKRZSA-N -1 3 376.417 0.940 20 0 GCADHM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(-n2cnnn2)cc1 ZINC000737301943 598930901 /nfs/dbraw/zinc/93/09/01/598930901.db2.gz XQONDZVHYVFBCT-UHFFFAOYSA-N -1 3 383.397 0.952 20 0 GCADHM CC(=O)c1c[nH]c(C(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735496599 598931479 /nfs/dbraw/zinc/93/14/79/598931479.db2.gz CEGDUHDEMKAJJK-UHFFFAOYSA-N -1 3 377.368 0.961 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1=O ZINC000735874854 598933979 /nfs/dbraw/zinc/93/39/79/598933979.db2.gz HXZHSDMJEOQWHE-LBPRGKRZSA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1=O ZINC000735874854 598933981 /nfs/dbraw/zinc/93/39/81/598933981.db2.gz HXZHSDMJEOQWHE-LBPRGKRZSA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1=O ZINC000735874851 598934415 /nfs/dbraw/zinc/93/44/15/598934415.db2.gz HXZHSDMJEOQWHE-GFCCVEGCSA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1=O ZINC000735874851 598934417 /nfs/dbraw/zinc/93/44/17/598934417.db2.gz HXZHSDMJEOQWHE-GFCCVEGCSA-N -1 3 391.819 0.584 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCn1c(=O)onc1-c1ncccn1 ZINC000737031431 598939141 /nfs/dbraw/zinc/93/91/41/598939141.db2.gz CPTVPCHNXGAIQR-UHFFFAOYSA-N -1 3 382.340 0.561 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCn1c(=O)onc1-c1ncccn1 ZINC000737031431 598939143 /nfs/dbraw/zinc/93/91/43/598939143.db2.gz CPTVPCHNXGAIQR-UHFFFAOYSA-N -1 3 382.340 0.561 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737162806 598943825 /nfs/dbraw/zinc/94/38/25/598943825.db2.gz RVDRXYKPQPEVHW-GXTWGEPZSA-N -1 3 379.442 0.718 20 0 GCADHM COC(=O)CCN(CC(=O)Nc1sccc1-c1nnn[n-]1)C[C@H]1CCCO1 ZINC000736913875 598947137 /nfs/dbraw/zinc/94/71/37/598947137.db2.gz ZEOVVVMNXXIXEH-LLVKDONJSA-N -1 3 394.457 0.911 20 0 GCADHM COC(=O)CCN(CC(=O)Nc1sccc1-c1nn[n-]n1)C[C@H]1CCCO1 ZINC000736913875 598947139 /nfs/dbraw/zinc/94/71/39/598947139.db2.gz ZEOVVVMNXXIXEH-LLVKDONJSA-N -1 3 394.457 0.911 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000737298044 598950828 /nfs/dbraw/zinc/95/08/28/598950828.db2.gz MIPOCOKZHSBXHB-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000737298044 598950829 /nfs/dbraw/zinc/95/08/29/598950829.db2.gz MIPOCOKZHSBXHB-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM CC(=O)N1CCC(CNS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000735461268 598955256 /nfs/dbraw/zinc/95/52/56/598955256.db2.gz OTZCFUGBPKQYRV-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM CC(=O)N1CCC(CNS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000735461268 598955258 /nfs/dbraw/zinc/95/52/58/598955258.db2.gz OTZCFUGBPKQYRV-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCCC[C@H]1O ZINC000737928116 598955328 /nfs/dbraw/zinc/95/53/28/598955328.db2.gz DYEOFVLMGFJDCQ-HUUCEWRRSA-N -1 3 393.469 0.449 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736656864 598957496 /nfs/dbraw/zinc/95/74/96/598957496.db2.gz NATHEOSABXVRJV-NSHDSACASA-N -1 3 387.487 0.619 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736656864 598957498 /nfs/dbraw/zinc/95/74/98/598957498.db2.gz NATHEOSABXVRJV-NSHDSACASA-N -1 3 387.487 0.619 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000737296215 598958481 /nfs/dbraw/zinc/95/84/81/598958481.db2.gz FFDXDPNUYDAKTE-CQSZACIVSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000737296215 598958482 /nfs/dbraw/zinc/95/84/82/598958482.db2.gz FFDXDPNUYDAKTE-CQSZACIVSA-N -1 3 390.469 0.951 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736748893 598959840 /nfs/dbraw/zinc/95/98/40/598959840.db2.gz YVXJSYCNLUOOQF-LSDHHAIUSA-N -1 3 392.485 0.933 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736748893 598959841 /nfs/dbraw/zinc/95/98/41/598959841.db2.gz YVXJSYCNLUOOQF-LSDHHAIUSA-N -1 3 392.485 0.933 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736748137 598964652 /nfs/dbraw/zinc/96/46/52/598964652.db2.gz WCLUJMHBWWYDLP-HUUCEWRRSA-N -1 3 399.455 0.360 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736748137 598964655 /nfs/dbraw/zinc/96/46/55/598964655.db2.gz WCLUJMHBWWYDLP-HUUCEWRRSA-N -1 3 399.455 0.360 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736746661 598968660 /nfs/dbraw/zinc/96/86/60/598968660.db2.gz NFCWVFURQCFELW-JSGCOSHPSA-N -1 3 385.428 0.568 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736746661 598968661 /nfs/dbraw/zinc/96/86/61/598968661.db2.gz NFCWVFURQCFELW-JSGCOSHPSA-N -1 3 385.428 0.568 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736748937 598968731 /nfs/dbraw/zinc/96/87/31/598968731.db2.gz ZVJVSOCAUPEYEQ-GXTWGEPZSA-N -1 3 385.428 0.568 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736748937 598968732 /nfs/dbraw/zinc/96/87/32/598968732.db2.gz ZVJVSOCAUPEYEQ-GXTWGEPZSA-N -1 3 385.428 0.568 20 0 GCADHM COC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000736947988 598968737 /nfs/dbraw/zinc/96/87/37/598968737.db2.gz RSTODZUCQQWGOQ-UHFFFAOYSA-N -1 3 388.315 0.640 20 0 GCADHM COC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000736947988 598968738 /nfs/dbraw/zinc/96/87/38/598968738.db2.gz RSTODZUCQQWGOQ-UHFFFAOYSA-N -1 3 388.315 0.640 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000736704792 598972811 /nfs/dbraw/zinc/97/28/11/598972811.db2.gz CIAUMZJOUAAIIZ-GFCCVEGCSA-N -1 3 397.447 0.142 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000736704792 598972813 /nfs/dbraw/zinc/97/28/13/598972813.db2.gz CIAUMZJOUAAIIZ-GFCCVEGCSA-N -1 3 397.447 0.142 20 0 GCADHM CC[C@@H](C)[C@@H](O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736328855 598973047 /nfs/dbraw/zinc/97/30/47/598973047.db2.gz IINUEESGQGMIRB-DOMZBBRYSA-N -1 3 388.476 0.937 20 0 GCADHM CC[C@@H](C)[C@@H](O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736328855 598973049 /nfs/dbraw/zinc/97/30/49/598973049.db2.gz IINUEESGQGMIRB-DOMZBBRYSA-N -1 3 388.476 0.937 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000738074067 598973311 /nfs/dbraw/zinc/97/33/11/598973311.db2.gz DZPAPADABUPUHM-ZDUSSCGKSA-N -1 3 382.432 0.986 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000736901031 598993675 /nfs/dbraw/zinc/99/36/75/598993675.db2.gz HPZJKZKAZLATMR-BXUZGUMPSA-N -1 3 379.442 0.447 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000736901031 598993676 /nfs/dbraw/zinc/99/36/76/598993676.db2.gz HPZJKZKAZLATMR-BXUZGUMPSA-N -1 3 379.442 0.447 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC(C)(C)N1CCOCC1 ZINC000737223554 598996392 /nfs/dbraw/zinc/99/63/92/598996392.db2.gz IMVRYQKXJFIAHG-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC(C)(C)N1CCOCC1 ZINC000737223554 598996393 /nfs/dbraw/zinc/99/63/93/598996393.db2.gz IMVRYQKXJFIAHG-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000737223089 598997249 /nfs/dbraw/zinc/99/72/49/598997249.db2.gz ACBMYOZFMZTONY-OAHLLOKOSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000737223089 598997251 /nfs/dbraw/zinc/99/72/51/598997251.db2.gz ACBMYOZFMZTONY-OAHLLOKOSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)no1 ZINC000737269837 598998667 /nfs/dbraw/zinc/99/86/67/598998667.db2.gz CEFYRKAQJYQSCE-UHFFFAOYSA-N -1 3 391.413 0.731 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)no1 ZINC000737269837 598998669 /nfs/dbraw/zinc/99/86/69/598998669.db2.gz CEFYRKAQJYQSCE-UHFFFAOYSA-N -1 3 391.413 0.731 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCNC(=O)c1cccnc1 ZINC000737224370 598999537 /nfs/dbraw/zinc/99/95/37/598999537.db2.gz SMUDWKANOZYRGY-UHFFFAOYSA-N -1 3 387.425 0.278 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCNC(=O)c1cccnc1 ZINC000737224370 598999539 /nfs/dbraw/zinc/99/95/39/598999539.db2.gz SMUDWKANOZYRGY-UHFFFAOYSA-N -1 3 387.425 0.278 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000737221734 599000198 /nfs/dbraw/zinc/00/01/98/599000198.db2.gz POHKFXYCJDJCIR-CYBMUJFWSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000737221734 599000200 /nfs/dbraw/zinc/00/02/00/599000200.db2.gz POHKFXYCJDJCIR-CYBMUJFWSA-N -1 3 391.457 0.353 20 0 GCADHM COCCN1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000737007344 599003048 /nfs/dbraw/zinc/00/30/48/599003048.db2.gz MATUBNRCTQNBKT-CQSZACIVSA-N -1 3 380.474 0.564 20 0 GCADHM COCCN1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000737007344 599003050 /nfs/dbraw/zinc/00/30/50/599003050.db2.gz MATUBNRCTQNBKT-CQSZACIVSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000737220103 599003251 /nfs/dbraw/zinc/00/32/51/599003251.db2.gz BJXXCYNROBSJMD-LBPRGKRZSA-N -1 3 378.458 0.841 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000737220103 599003253 /nfs/dbraw/zinc/00/32/53/599003253.db2.gz BJXXCYNROBSJMD-LBPRGKRZSA-N -1 3 378.458 0.841 20 0 GCADHM COC(=O)C[C@H]1CSCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736911617 599006299 /nfs/dbraw/zinc/00/62/99/599006299.db2.gz LONGVEBTXMXNOH-ZDUSSCGKSA-N -1 3 397.482 0.677 20 0 GCADHM COC(=O)C[C@H]1CSCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736911617 599006300 /nfs/dbraw/zinc/00/63/00/599006300.db2.gz LONGVEBTXMXNOH-ZDUSSCGKSA-N -1 3 397.482 0.677 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1C)C2 ZINC000736888224 599006310 /nfs/dbraw/zinc/00/63/10/599006310.db2.gz WGHFTGKAYSWNQJ-UHFFFAOYSA-N -1 3 386.441 0.754 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1C)C2 ZINC000736888224 599006312 /nfs/dbraw/zinc/00/63/12/599006312.db2.gz WGHFTGKAYSWNQJ-UHFFFAOYSA-N -1 3 386.441 0.754 20 0 GCADHM COC(=O)C[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736912343 599006370 /nfs/dbraw/zinc/00/63/70/599006370.db2.gz QIMBRPHDSUXSCK-LBPRGKRZSA-N -1 3 397.482 0.844 20 0 GCADHM COC(=O)C[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736912343 599006372 /nfs/dbraw/zinc/00/63/72/599006372.db2.gz QIMBRPHDSUXSCK-LBPRGKRZSA-N -1 3 397.482 0.844 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000737224628 599007252 /nfs/dbraw/zinc/00/72/52/599007252.db2.gz YICSBHWWJXTMCA-MNOVXSKESA-N -1 3 385.471 0.371 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000737224628 599007253 /nfs/dbraw/zinc/00/72/53/599007253.db2.gz YICSBHWWJXTMCA-MNOVXSKESA-N -1 3 385.471 0.371 20 0 GCADHM CNC(=O)c1cccc(CCNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736881746 599008398 /nfs/dbraw/zinc/00/83/98/599008398.db2.gz JOMAAEHOCDNHIS-UHFFFAOYSA-N -1 3 386.437 0.747 20 0 GCADHM CNC(=O)c1cccc(CCNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736881746 599008400 /nfs/dbraw/zinc/00/84/00/599008400.db2.gz JOMAAEHOCDNHIS-UHFFFAOYSA-N -1 3 386.437 0.747 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000736774875 599008841 /nfs/dbraw/zinc/00/88/41/599008841.db2.gz ZWTKUCXVBOCZIU-UHFFFAOYSA-N -1 3 386.441 0.470 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000736774875 599008842 /nfs/dbraw/zinc/00/88/42/599008842.db2.gz ZWTKUCXVBOCZIU-UHFFFAOYSA-N -1 3 386.441 0.470 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NCCCOC[C@@H]1CCOC1 ZINC000738331415 599009220 /nfs/dbraw/zinc/00/92/20/599009220.db2.gz SEAUYQZBNFABRM-AWEZNQCLSA-N -1 3 381.458 0.729 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCCOC[C@@H]1CCOC1 ZINC000738331415 599009222 /nfs/dbraw/zinc/00/92/22/599009222.db2.gz SEAUYQZBNFABRM-AWEZNQCLSA-N -1 3 381.458 0.729 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000737222102 599010544 /nfs/dbraw/zinc/01/05/44/599010544.db2.gz WEIJCSYVCXTLIW-LLVKDONJSA-N -1 3 385.471 0.230 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000737222102 599010546 /nfs/dbraw/zinc/01/05/46/599010546.db2.gz WEIJCSYVCXTLIW-LLVKDONJSA-N -1 3 385.471 0.230 20 0 GCADHM NC(=O)[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737639 599013227 /nfs/dbraw/zinc/01/32/27/599013227.db2.gz BPHSJBNRHPWVQX-NWDGAFQWSA-N -1 3 387.429 0.351 20 0 GCADHM NC(=O)[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737639 599013229 /nfs/dbraw/zinc/01/32/29/599013229.db2.gz BPHSJBNRHPWVQX-NWDGAFQWSA-N -1 3 387.429 0.351 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1ccsc1 ZINC000736144562 599023942 /nfs/dbraw/zinc/02/39/42/599023942.db2.gz ZUQZVESWLVCRBA-MRXNPFEDSA-N -1 3 388.457 0.942 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1ccsc1 ZINC000736144562 599023944 /nfs/dbraw/zinc/02/39/44/599023944.db2.gz ZUQZVESWLVCRBA-MRXNPFEDSA-N -1 3 388.457 0.942 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C[C@H](C)O ZINC000736144079 599024920 /nfs/dbraw/zinc/02/49/20/599024920.db2.gz MXWZJGDJFHBFNF-BDAKNGLRSA-N -1 3 398.370 0.930 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C[C@H](C)O ZINC000736144079 599024921 /nfs/dbraw/zinc/02/49/21/599024921.db2.gz MXWZJGDJFHBFNF-BDAKNGLRSA-N -1 3 398.370 0.930 20 0 GCADHM C[C@@H](O)C[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736144080 599025216 /nfs/dbraw/zinc/02/52/16/599025216.db2.gz MXWZJGDJFHBFNF-DTWKUNHWSA-N -1 3 398.370 0.930 20 0 GCADHM C[C@@H](O)C[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736144080 599025220 /nfs/dbraw/zinc/02/52/20/599025220.db2.gz MXWZJGDJFHBFNF-DTWKUNHWSA-N -1 3 398.370 0.930 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737161829 599025329 /nfs/dbraw/zinc/02/53/29/599025329.db2.gz MFBASAXWEHISBL-STQMWFEESA-N -1 3 392.441 0.277 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737161829 599025330 /nfs/dbraw/zinc/02/53/30/599025330.db2.gz MFBASAXWEHISBL-STQMWFEESA-N -1 3 392.441 0.277 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000736634820 599025623 /nfs/dbraw/zinc/02/56/23/599025623.db2.gz JKQBBRSATRUPOD-TZMCWYRMSA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000736634820 599025624 /nfs/dbraw/zinc/02/56/24/599025624.db2.gz JKQBBRSATRUPOD-TZMCWYRMSA-N -1 3 388.428 0.871 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737161826 599025652 /nfs/dbraw/zinc/02/56/52/599025652.db2.gz MFBASAXWEHISBL-CHWSQXEVSA-N -1 3 392.441 0.277 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737161826 599025654 /nfs/dbraw/zinc/02/56/54/599025654.db2.gz MFBASAXWEHISBL-CHWSQXEVSA-N -1 3 392.441 0.277 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1csc(-c2cnccn2)n1 ZINC000737774590 599027063 /nfs/dbraw/zinc/02/70/63/599027063.db2.gz SKOFKTRBBGVFSO-UHFFFAOYSA-N -1 3 384.385 0.416 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1csc(-c2cnccn2)n1 ZINC000737774590 599027065 /nfs/dbraw/zinc/02/70/65/599027065.db2.gz SKOFKTRBBGVFSO-UHFFFAOYSA-N -1 3 384.385 0.416 20 0 GCADHM Cc1nc(NC(=O)CCCn2cccn2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737481517 599029958 /nfs/dbraw/zinc/02/99/58/599029958.db2.gz XVBHGPAZRNJRHP-UHFFFAOYSA-N -1 3 378.400 0.793 20 0 GCADHM CN1CCN(C(=O)CC2CCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)CC1 ZINC000736857230 599032012 /nfs/dbraw/zinc/03/20/12/599032012.db2.gz OMILGGLNILEPDG-UHFFFAOYSA-N -1 3 398.471 0.278 20 0 GCADHM CN1CCN(C(=O)CC2CCN(C(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)CC1 ZINC000736857230 599032015 /nfs/dbraw/zinc/03/20/15/599032015.db2.gz OMILGGLNILEPDG-UHFFFAOYSA-N -1 3 398.471 0.278 20 0 GCADHM NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737741336 599035654 /nfs/dbraw/zinc/03/56/54/599035654.db2.gz WPHDCZHJPSSDPA-UHFFFAOYSA-N -1 3 377.408 0.921 20 0 GCADHM NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737741336 599035657 /nfs/dbraw/zinc/03/56/57/599035657.db2.gz WPHDCZHJPSSDPA-UHFFFAOYSA-N -1 3 377.408 0.921 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCOC[C@@H]2CCCO2)cc1 ZINC000737776688 599035913 /nfs/dbraw/zinc/03/59/13/599035913.db2.gz PNZFJKGEEYABHP-AWEZNQCLSA-N -1 3 398.427 0.560 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCOC[C@@H]2CCCO2)cc1 ZINC000737776688 599035916 /nfs/dbraw/zinc/03/59/16/599035916.db2.gz PNZFJKGEEYABHP-AWEZNQCLSA-N -1 3 398.427 0.560 20 0 GCADHM O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1sccc1-c1nnn[n-]1 ZINC000738024241 599038087 /nfs/dbraw/zinc/03/80/87/599038087.db2.gz JWKURRXCSKUACN-GFCCVEGCSA-N -1 3 377.474 0.065 20 0 GCADHM CS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000737169297 599041784 /nfs/dbraw/zinc/04/17/84/599041784.db2.gz RRQZEKHEVLNYFI-UHFFFAOYSA-N -1 3 391.379 0.799 20 0 GCADHM CS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000737169297 599041787 /nfs/dbraw/zinc/04/17/87/599041787.db2.gz RRQZEKHEVLNYFI-UHFFFAOYSA-N -1 3 391.379 0.799 20 0 GCADHM CC(=O)N1CCN(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000735465913 599042544 /nfs/dbraw/zinc/04/25/44/599042544.db2.gz BROSOCSKHAEMCX-UHFFFAOYSA-N -1 3 384.366 0.857 20 0 GCADHM CC(=O)N1CCN(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000735465913 599042547 /nfs/dbraw/zinc/04/25/47/599042547.db2.gz BROSOCSKHAEMCX-UHFFFAOYSA-N -1 3 384.366 0.857 20 0 GCADHM CCOC(=O)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000736593747 599047502 /nfs/dbraw/zinc/04/75/02/599047502.db2.gz JENJXMINCRDHDF-CYBMUJFWSA-N -1 3 394.819 0.723 20 0 GCADHM CCOC(=O)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000736593747 599047505 /nfs/dbraw/zinc/04/75/05/599047505.db2.gz JENJXMINCRDHDF-CYBMUJFWSA-N -1 3 394.819 0.723 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000736592874 599047742 /nfs/dbraw/zinc/04/77/42/599047742.db2.gz FGIAYRYYNVAGLU-CABCVRRESA-N -1 3 386.412 0.236 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000736592874 599047745 /nfs/dbraw/zinc/04/77/45/599047745.db2.gz FGIAYRYYNVAGLU-CABCVRRESA-N -1 3 386.412 0.236 20 0 GCADHM CCOC(=O)[C@H]1CN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000736592878 599047834 /nfs/dbraw/zinc/04/78/34/599047834.db2.gz FGIAYRYYNVAGLU-HUUCEWRRSA-N -1 3 386.412 0.236 20 0 GCADHM CCOC(=O)[C@H]1CN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000736592878 599047837 /nfs/dbraw/zinc/04/78/37/599047837.db2.gz FGIAYRYYNVAGLU-HUUCEWRRSA-N -1 3 386.412 0.236 20 0 GCADHM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CCO1 ZINC000736595856 599050773 /nfs/dbraw/zinc/05/07/73/599050773.db2.gz XVPMTPCTRZLLGS-LBPRGKRZSA-N -1 3 381.414 0.128 20 0 GCADHM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CCO1 ZINC000736595856 599050775 /nfs/dbraw/zinc/05/07/75/599050775.db2.gz XVPMTPCTRZLLGS-LBPRGKRZSA-N -1 3 381.414 0.128 20 0 GCADHM CN1C(=O)N[C@@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)C1=O ZINC000736847586 599052190 /nfs/dbraw/zinc/05/21/90/599052190.db2.gz VJIYVWIBWZYNSG-CYBMUJFWSA-N -1 3 382.306 0.411 20 0 GCADHM CN1C(=O)N[C@@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)C1=O ZINC000736847586 599052194 /nfs/dbraw/zinc/05/21/94/599052194.db2.gz VJIYVWIBWZYNSG-CYBMUJFWSA-N -1 3 382.306 0.411 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000737775540 599055641 /nfs/dbraw/zinc/05/56/41/599055641.db2.gz APADPJIIBWTTDL-GFCCVEGCSA-N -1 3 396.411 0.603 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCCOC[C@H]1CCCO1 ZINC000737891643 599056624 /nfs/dbraw/zinc/05/66/24/599056624.db2.gz OTWYDSWDLSCGED-CQSZACIVSA-N -1 3 375.385 0.335 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCCOC[C@H]1CCCO1 ZINC000737891643 599056627 /nfs/dbraw/zinc/05/66/27/599056627.db2.gz OTWYDSWDLSCGED-CQSZACIVSA-N -1 3 375.385 0.335 20 0 GCADHM Cn1cc(C(=O)COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737604586 599057067 /nfs/dbraw/zinc/05/70/67/599057067.db2.gz YWMPHRGSWAIKLQ-HNNXBMFYSA-N -1 3 381.396 0.995 20 0 GCADHM CC(C)(C)OC(=O)CSCC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735622967 599059709 /nfs/dbraw/zinc/05/97/09/599059709.db2.gz COOQZKICUAUWKK-UHFFFAOYSA-N -1 3 383.434 0.264 20 0 GCADHM CC(C)(C)OC(=O)CSCC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735622967 599059712 /nfs/dbraw/zinc/05/97/12/599059712.db2.gz COOQZKICUAUWKK-UHFFFAOYSA-N -1 3 383.434 0.264 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737755131 599061350 /nfs/dbraw/zinc/06/13/50/599061350.db2.gz INRNGZANPCQESY-INIZCTEOSA-N -1 3 377.408 0.717 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737755131 599061353 /nfs/dbraw/zinc/06/13/53/599061353.db2.gz INRNGZANPCQESY-INIZCTEOSA-N -1 3 377.408 0.717 20 0 GCADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736191999 599065032 /nfs/dbraw/zinc/06/50/32/599065032.db2.gz JRFQTWDQVJTKPI-WPRPVWTQSA-N -1 3 385.446 0.790 20 0 GCADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736191999 599065034 /nfs/dbraw/zinc/06/50/34/599065034.db2.gz JRFQTWDQVJTKPI-WPRPVWTQSA-N -1 3 385.446 0.790 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000737738429 599066361 /nfs/dbraw/zinc/06/63/61/599066361.db2.gz JDXJYCHUTCQEJK-KRWDZBQOSA-N -1 3 391.435 0.851 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000737738429 599066364 /nfs/dbraw/zinc/06/63/64/599066364.db2.gz JDXJYCHUTCQEJK-KRWDZBQOSA-N -1 3 391.435 0.851 20 0 GCADHM CCN(CC)C(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736530130 599067154 /nfs/dbraw/zinc/06/71/54/599067154.db2.gz YMZBSMSMKHNBDG-HNNXBMFYSA-N -1 3 386.460 0.473 20 0 GCADHM CCN(CC)C(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736530130 599067156 /nfs/dbraw/zinc/06/71/56/599067156.db2.gz YMZBSMSMKHNBDG-HNNXBMFYSA-N -1 3 386.460 0.473 20 0 GCADHM CC(C)(C)CC(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735594631 599067419 /nfs/dbraw/zinc/06/74/19/599067419.db2.gz VDYBHAWITYOOJT-MRXNPFEDSA-N -1 3 385.472 0.974 20 0 GCADHM CC(C)(C)CC(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735594631 599067422 /nfs/dbraw/zinc/06/74/22/599067422.db2.gz VDYBHAWITYOOJT-MRXNPFEDSA-N -1 3 385.472 0.974 20 0 GCADHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CCOC[C@@H]2CCCO2)C1=O ZINC000736224122 599068392 /nfs/dbraw/zinc/06/83/92/599068392.db2.gz QHERGYSXJINIDG-KSSFIOAISA-N -1 3 386.412 0.829 20 0 GCADHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CCOC[C@@H]2CCCO2)C1=O ZINC000736224122 599068395 /nfs/dbraw/zinc/06/83/95/599068395.db2.gz QHERGYSXJINIDG-KSSFIOAISA-N -1 3 386.412 0.829 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000737742112 599068677 /nfs/dbraw/zinc/06/86/77/599068677.db2.gz ZBJQHFCNLDBKDQ-MRXNPFEDSA-N -1 3 392.423 0.246 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000737742112 599068681 /nfs/dbraw/zinc/06/86/81/599068681.db2.gz ZBJQHFCNLDBKDQ-MRXNPFEDSA-N -1 3 392.423 0.246 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735759962 599070086 /nfs/dbraw/zinc/07/00/86/599070086.db2.gz XYCMHCCAHTYMHN-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735759962 599070089 /nfs/dbraw/zinc/07/00/89/599070089.db2.gz XYCMHCCAHTYMHN-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM COc1ccnc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737160105 599071274 /nfs/dbraw/zinc/07/12/74/599071274.db2.gz RZBBAEXSACVNCF-HNNXBMFYSA-N -1 3 395.427 0.014 20 0 GCADHM COc1ccnc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737160105 599071277 /nfs/dbraw/zinc/07/12/77/599071277.db2.gz RZBBAEXSACVNCF-HNNXBMFYSA-N -1 3 395.427 0.014 20 0 GCADHM CC(C)C(=O)NC[C@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735685186 599071438 /nfs/dbraw/zinc/07/14/38/599071438.db2.gz RCDWPPSKYPLUPB-CJNGLKHVSA-N -1 3 385.472 0.877 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)c2ccsc2)CC1 ZINC000737741492 599071915 /nfs/dbraw/zinc/07/19/15/599071915.db2.gz XWRYYKVBJBBDNI-HNNXBMFYSA-N -1 3 397.464 0.913 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)c2ccsc2)CC1 ZINC000737741492 599071917 /nfs/dbraw/zinc/07/19/17/599071917.db2.gz XWRYYKVBJBBDNI-HNNXBMFYSA-N -1 3 397.464 0.913 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000737740001 599073649 /nfs/dbraw/zinc/07/36/49/599073649.db2.gz SJXKWFBXKIPGKG-KBPBESRZSA-N -1 3 396.411 0.727 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000737740001 599073653 /nfs/dbraw/zinc/07/36/53/599073653.db2.gz SJXKWFBXKIPGKG-KBPBESRZSA-N -1 3 396.411 0.727 20 0 GCADHM CCn1cnnc1C1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736721245 599074443 /nfs/dbraw/zinc/07/44/43/599074443.db2.gz DDOQSMQEJLKIHS-OAHLLOKOSA-N -1 3 381.444 0.884 20 0 GCADHM Cc1noc([C@@H](C)N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737534522 599075837 /nfs/dbraw/zinc/07/58/37/599075837.db2.gz PATKUMGDESNZNE-IAQYHMDHSA-N -1 3 397.443 0.463 20 0 GCADHM Cc1noc([C@@H](C)N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737534522 599075840 /nfs/dbraw/zinc/07/58/40/599075840.db2.gz PATKUMGDESNZNE-IAQYHMDHSA-N -1 3 397.443 0.463 20 0 GCADHM Cc1cc(C)n(C[C@H]2CN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000737257348 599075921 /nfs/dbraw/zinc/07/59/21/599075921.db2.gz RJXQDCLTDXBKHX-IAGOWNOFSA-N -1 3 396.455 0.607 20 0 GCADHM Cc1cc(C)n(C[C@H]2CN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000737257348 599075922 /nfs/dbraw/zinc/07/59/22/599075922.db2.gz RJXQDCLTDXBKHX-IAGOWNOFSA-N -1 3 396.455 0.607 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](OCCO)C2)c(-c2nnn[n-]2)c1C ZINC000737548913 599078178 /nfs/dbraw/zinc/07/81/78/599078178.db2.gz QMVLAZJPKZXUQK-YPMHNXCESA-N -1 3 378.433 0.877 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](OCCO)C2)c(-c2nn[n-]n2)c1C ZINC000737548913 599078181 /nfs/dbraw/zinc/07/81/81/599078181.db2.gz QMVLAZJPKZXUQK-YPMHNXCESA-N -1 3 378.433 0.877 20 0 GCADHM COc1cccc(C(=O)NCCN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737122106 599088920 /nfs/dbraw/zinc/08/89/20/599088920.db2.gz RGYWXGRUMIEGMT-INIZCTEOSA-N -1 3 395.423 0.421 20 0 GCADHM COc1ccc(N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1OCC(N)=O ZINC000737106717 599091683 /nfs/dbraw/zinc/09/16/83/599091683.db2.gz XAUHWLHCIBGUII-INIZCTEOSA-N -1 3 397.395 0.378 20 0 GCADHM COc1ccc(N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1OCC(N)=O ZINC000737106717 599091686 /nfs/dbraw/zinc/09/16/86/599091686.db2.gz XAUHWLHCIBGUII-INIZCTEOSA-N -1 3 397.395 0.378 20 0 GCADHM NC(=O)[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737732147 599100422 /nfs/dbraw/zinc/10/04/22/599100422.db2.gz WRJFTOPYOIOLLM-GHMZBOCLSA-N -1 3 383.334 0.146 20 0 GCADHM NC(=O)[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737732147 599100423 /nfs/dbraw/zinc/10/04/23/599100423.db2.gz WRJFTOPYOIOLLM-GHMZBOCLSA-N -1 3 383.334 0.146 20 0 GCADHM CCn1nc2c(cc1=O)CN(CC(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821567973 599102857 /nfs/dbraw/zinc/10/28/57/599102857.db2.gz BTNXCELWIBSMEO-UHFFFAOYSA-N -1 3 380.412 0.440 20 0 GCADHM CCn1nc2c(cc1=O)CN(CC(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821567973 599102859 /nfs/dbraw/zinc/10/28/59/599102859.db2.gz BTNXCELWIBSMEO-UHFFFAOYSA-N -1 3 380.412 0.440 20 0 GCADHM O=C(Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1)N1CCOCC1 ZINC000738199953 599103174 /nfs/dbraw/zinc/10/31/74/599103174.db2.gz ZAKGRPAGWMOSDK-UHFFFAOYSA-N -1 3 382.384 0.174 20 0 GCADHM O=C(Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1)N1CCOCC1 ZINC000738199953 599103176 /nfs/dbraw/zinc/10/31/76/599103176.db2.gz ZAKGRPAGWMOSDK-UHFFFAOYSA-N -1 3 382.384 0.174 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCC[C@H](O)C1 ZINC000737928859 599103684 /nfs/dbraw/zinc/10/36/84/599103684.db2.gz IUYDCBCYKBIYCN-HIFRSBDPSA-N -1 3 393.469 0.449 20 0 GCADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000736193319 599108981 /nfs/dbraw/zinc/10/89/81/599108981.db2.gz RQEJHENLFISBKZ-QMMMGPOBSA-N -1 3 387.425 0.210 20 0 GCADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000736193319 599108983 /nfs/dbraw/zinc/10/89/83/599108983.db2.gz RQEJHENLFISBKZ-QMMMGPOBSA-N -1 3 387.425 0.210 20 0 GCADHM CCc1[nH]n(C)c2nnc(NC(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)c1-2 ZINC000736706056 599109133 /nfs/dbraw/zinc/10/91/33/599109133.db2.gz SNPAKMGNPDIFJY-UHFFFAOYSA-N -1 3 394.399 0.407 20 0 GCADHM CCc1[nH]n(C)c2nnc(NC(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)c1-2 ZINC000736706056 599109135 /nfs/dbraw/zinc/10/91/35/599109135.db2.gz SNPAKMGNPDIFJY-UHFFFAOYSA-N -1 3 394.399 0.407 20 0 GCADHM C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000820735293 599118224 /nfs/dbraw/zinc/11/82/24/599118224.db2.gz RATSRQICKLPEBV-AOOOYVTPSA-N -1 3 383.405 0.415 20 0 GCADHM C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000820735293 599118227 /nfs/dbraw/zinc/11/82/27/599118227.db2.gz RATSRQICKLPEBV-AOOOYVTPSA-N -1 3 383.405 0.415 20 0 GCADHM COC(=O)c1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736948123 599120295 /nfs/dbraw/zinc/12/02/95/599120295.db2.gz KXTSDFSZPPDPIL-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)c1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736948123 599120300 /nfs/dbraw/zinc/12/03/00/599120300.db2.gz KXTSDFSZPPDPIL-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM NC(=O)[C@H](OC(=O)CCOC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737350 599121545 /nfs/dbraw/zinc/12/15/45/599121545.db2.gz QIXONLKUOJJUQC-DZGCQCFKSA-N -1 3 375.385 0.522 20 0 GCADHM NC(=O)[C@H](OC(=O)CCOC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737350 599121548 /nfs/dbraw/zinc/12/15/48/599121548.db2.gz QIXONLKUOJJUQC-DZGCQCFKSA-N -1 3 375.385 0.522 20 0 GCADHM C[C@H](NC(=O)c1ccoc1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736124880 599122072 /nfs/dbraw/zinc/12/20/72/599122072.db2.gz IHYGHTWAVQSLEX-ZANVPECISA-N -1 3 384.352 0.348 20 0 GCADHM C[C@H](NC(=O)c1ccoc1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736124880 599122075 /nfs/dbraw/zinc/12/20/75/599122075.db2.gz IHYGHTWAVQSLEX-ZANVPECISA-N -1 3 384.352 0.348 20 0 GCADHM CC(=O)Nc1ccc(O)c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735487839 599122153 /nfs/dbraw/zinc/12/21/53/599122153.db2.gz CCOSTOWXGZQSAC-HNNXBMFYSA-N -1 3 396.363 0.914 20 0 GCADHM CC(=O)Nc1ccc(O)c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735487839 599122154 /nfs/dbraw/zinc/12/21/54/599122154.db2.gz CCOSTOWXGZQSAC-HNNXBMFYSA-N -1 3 396.363 0.914 20 0 GCADHM COCCn1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000737017605 599123157 /nfs/dbraw/zinc/12/31/57/599123157.db2.gz XPZJUIDVDIXLPO-OAHLLOKOSA-N -1 3 398.379 0.058 20 0 GCADHM COCCn1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000737017605 599123158 /nfs/dbraw/zinc/12/31/58/599123158.db2.gz XPZJUIDVDIXLPO-OAHLLOKOSA-N -1 3 398.379 0.058 20 0 GCADHM C[C@H](OC[C@H]1CCCCO1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736163929 599124641 /nfs/dbraw/zinc/12/46/41/599124641.db2.gz LJOKXIGQSKWAOK-NILFDRSVSA-N -1 3 389.412 0.911 20 0 GCADHM C[C@H](OC[C@H]1CCCCO1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736163929 599124642 /nfs/dbraw/zinc/12/46/42/599124642.db2.gz LJOKXIGQSKWAOK-NILFDRSVSA-N -1 3 389.412 0.911 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736306463 599126329 /nfs/dbraw/zinc/12/63/29/599126329.db2.gz YMWIHCOYJSQKSR-DGCLKSJQSA-N -1 3 390.425 0.248 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736306463 599126332 /nfs/dbraw/zinc/12/63/32/599126332.db2.gz YMWIHCOYJSQKSR-DGCLKSJQSA-N -1 3 390.425 0.248 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736306462 599126874 /nfs/dbraw/zinc/12/68/74/599126874.db2.gz YMWIHCOYJSQKSR-AAEUAGOBSA-N -1 3 390.425 0.248 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736306462 599126875 /nfs/dbraw/zinc/12/68/75/599126875.db2.gz YMWIHCOYJSQKSR-AAEUAGOBSA-N -1 3 390.425 0.248 20 0 GCADHM Cn1nnc2cc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000737626723 599127741 /nfs/dbraw/zinc/12/77/41/599127741.db2.gz JUMHKANBGMJCHS-AWEZNQCLSA-N -1 3 378.352 0.532 20 0 GCADHM Cn1nnc2cc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000737626723 599127743 /nfs/dbraw/zinc/12/77/43/599127743.db2.gz JUMHKANBGMJCHS-AWEZNQCLSA-N -1 3 378.352 0.532 20 0 GCADHM CN(CC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000736786775 599127790 /nfs/dbraw/zinc/12/77/90/599127790.db2.gz DHRZBBZNXLAOFR-ZDUSSCGKSA-N -1 3 390.400 0.803 20 0 GCADHM CN(CC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736786775 599127791 /nfs/dbraw/zinc/12/77/91/599127791.db2.gz DHRZBBZNXLAOFR-ZDUSSCGKSA-N -1 3 390.400 0.803 20 0 GCADHM COCCc1nnc(S[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)n1N ZINC000821694661 599132550 /nfs/dbraw/zinc/13/25/50/599132550.db2.gz XCLNTKIXEOJZJF-SECBINFHSA-N -1 3 389.445 0.480 20 0 GCADHM COCCc1nnc(S[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)n1N ZINC000821694661 599132552 /nfs/dbraw/zinc/13/25/52/599132552.db2.gz XCLNTKIXEOJZJF-SECBINFHSA-N -1 3 389.445 0.480 20 0 GCADHM Cn1c(CO)nnc1S[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822596957 607259059 /nfs/dbraw/zinc/25/90/59/607259059.db2.gz ZUOFZXVHFKYZAJ-QMMMGPOBSA-N -1 3 378.443 0.447 20 0 GCADHM Cn1c(CO)nnc1S[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822596957 607259060 /nfs/dbraw/zinc/25/90/60/607259060.db2.gz ZUOFZXVHFKYZAJ-QMMMGPOBSA-N -1 3 378.443 0.447 20 0 GCADHM CCOC(=O)C[C@H](C)S(=O)(=O)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736592302 599147716 /nfs/dbraw/zinc/14/77/16/599147716.db2.gz BZYBKXYRSBOXGY-JTQLQIEISA-N -1 3 381.414 0.562 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000738143995 599151660 /nfs/dbraw/zinc/15/16/60/599151660.db2.gz ILHMVVJQRSJVBI-LLVKDONJSA-N -1 3 394.819 0.459 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000738143995 599151662 /nfs/dbraw/zinc/15/16/62/599151662.db2.gz ILHMVVJQRSJVBI-LLVKDONJSA-N -1 3 394.819 0.459 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@H](CO)c1cccc(F)c1 ZINC000738077997 599148783 /nfs/dbraw/zinc/14/87/83/599148783.db2.gz KWMVHCWCNIVDQO-CQSZACIVSA-N -1 3 386.391 0.846 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@H](CO)c1cccc(F)c1 ZINC000738077997 599148786 /nfs/dbraw/zinc/14/87/86/599148786.db2.gz KWMVHCWCNIVDQO-CQSZACIVSA-N -1 3 386.391 0.846 20 0 GCADHM CCN(CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)C(=O)OC(C)(C)C ZINC000736514266 599154174 /nfs/dbraw/zinc/15/41/74/599154174.db2.gz XDPPARDKMDECDW-UHFFFAOYSA-N -1 3 380.409 0.446 20 0 GCADHM CCN(CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)C(=O)OC(C)(C)C ZINC000736514266 599154177 /nfs/dbraw/zinc/15/41/77/599154177.db2.gz XDPPARDKMDECDW-UHFFFAOYSA-N -1 3 380.409 0.446 20 0 GCADHM CC(C)N1C(=O)C(=O)N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1=O ZINC000735875473 599159106 /nfs/dbraw/zinc/15/91/06/599159106.db2.gz MPWPJSLKKAHDAZ-UHFFFAOYSA-N -1 3 382.340 0.616 20 0 GCADHM CC(C)N1C(=O)C(=O)N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1=O ZINC000735875473 599159108 /nfs/dbraw/zinc/15/91/08/599159108.db2.gz MPWPJSLKKAHDAZ-UHFFFAOYSA-N -1 3 382.340 0.616 20 0 GCADHM O=c1onc(-c2ncccn2)n1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000738381214 599165483 /nfs/dbraw/zinc/16/54/83/599165483.db2.gz JPLYVNGPRDBQRW-UHFFFAOYSA-N -1 3 390.323 0.572 20 0 GCADHM O=c1onc(-c2ncccn2)n1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738381214 599165484 /nfs/dbraw/zinc/16/54/84/599165484.db2.gz JPLYVNGPRDBQRW-UHFFFAOYSA-N -1 3 390.323 0.572 20 0 GCADHM O=C(CCc1nc(-c2nc[nH]n2)no1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822987474 599167052 /nfs/dbraw/zinc/16/70/52/599167052.db2.gz YETZYNYKXKTMTA-UHFFFAOYSA-N -1 3 384.335 0.423 20 0 GCADHM CCN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736568186 599168823 /nfs/dbraw/zinc/16/88/23/599168823.db2.gz JKNUNJXLMRCKNO-NSHDSACASA-N -1 3 393.835 0.296 20 0 GCADHM CCN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736568186 599168825 /nfs/dbraw/zinc/16/88/25/599168825.db2.gz JKNUNJXLMRCKNO-NSHDSACASA-N -1 3 393.835 0.296 20 0 GCADHM Cn1ncc2c1nc(CCC(=O)NCc1cc(-c3nn[n-]n3)ccc1F)[nH]c2=O ZINC000822708841 599174610 /nfs/dbraw/zinc/17/46/10/599174610.db2.gz CYTDWXIKGVPJJY-UHFFFAOYSA-N -1 3 397.374 0.637 20 0 GCADHM Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)C2)cn1 ZINC000737603412 599179433 /nfs/dbraw/zinc/17/94/33/599179433.db2.gz KLYFEOAVKVWLLT-SNVBAGLBSA-N -1 3 377.405 0.918 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000820542625 599185183 /nfs/dbraw/zinc/18/51/83/599185183.db2.gz PKDXIKWYZGJBCZ-GJZGRUSLSA-N -1 3 386.456 0.957 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000820542625 599185184 /nfs/dbraw/zinc/18/51/84/599185184.db2.gz PKDXIKWYZGJBCZ-GJZGRUSLSA-N -1 3 386.456 0.957 20 0 GCADHM CCc1cc(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n(C)n1 ZINC000736678140 599188033 /nfs/dbraw/zinc/18/80/33/599188033.db2.gz UKWTYIYVVWQBRA-UHFFFAOYSA-N -1 3 382.432 0.912 20 0 GCADHM CCc1cc(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n(C)n1 ZINC000736678140 599188035 /nfs/dbraw/zinc/18/80/35/599188035.db2.gz UKWTYIYVVWQBRA-UHFFFAOYSA-N -1 3 382.432 0.912 20 0 GCADHM CCc1cc(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n(C)n1 ZINC000736678104 599188435 /nfs/dbraw/zinc/18/84/35/599188435.db2.gz RVWOSVMMKMLXIE-UHFFFAOYSA-N -1 3 382.432 0.912 20 0 GCADHM CCc1cc(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n(C)n1 ZINC000736678104 599188437 /nfs/dbraw/zinc/18/84/37/599188437.db2.gz RVWOSVMMKMLXIE-UHFFFAOYSA-N -1 3 382.432 0.912 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822868516 599188629 /nfs/dbraw/zinc/18/86/29/599188629.db2.gz BBEQFCYSVFGPNH-UHFFFAOYSA-N -1 3 382.380 0.426 20 0 GCADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000737025891 599195697 /nfs/dbraw/zinc/19/56/97/599195697.db2.gz OTRRNACSIQEEFP-UHFFFAOYSA-N -1 3 392.759 0.145 20 0 GCADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000737025891 599195699 /nfs/dbraw/zinc/19/56/99/599195699.db2.gz OTRRNACSIQEEFP-UHFFFAOYSA-N -1 3 392.759 0.145 20 0 GCADHM Cn1cc(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c(=O)n(C)c1=O ZINC000737603956 599195797 /nfs/dbraw/zinc/19/57/97/599195797.db2.gz TYHLQYWDSPLWNF-UHFFFAOYSA-N -1 3 381.396 0.069 20 0 GCADHM Cn1cc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c(=O)n(C)c1=O ZINC000737603956 599195798 /nfs/dbraw/zinc/19/57/98/599195798.db2.gz TYHLQYWDSPLWNF-UHFFFAOYSA-N -1 3 381.396 0.069 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822205650 599196002 /nfs/dbraw/zinc/19/60/02/599196002.db2.gz CDTVWVYWGYRBEB-CQSZACIVSA-N -1 3 396.411 0.209 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822205871 599196352 /nfs/dbraw/zinc/19/63/52/599196352.db2.gz LMSBWIOEZNPATG-CQSZACIVSA-N -1 3 396.411 0.209 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822205871 599196355 /nfs/dbraw/zinc/19/63/55/599196355.db2.gz LMSBWIOEZNPATG-CQSZACIVSA-N -1 3 396.411 0.209 20 0 GCADHM Cc1nc(NC(=O)CCNC(=O)CC(C)C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737479482 599199804 /nfs/dbraw/zinc/19/98/04/599199804.db2.gz ATNOPAUEKBLFQS-UHFFFAOYSA-N -1 3 397.443 0.669 20 0 GCADHM O=C(NCc1nnnn1C1CC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823269661 599202475 /nfs/dbraw/zinc/20/24/75/599202475.db2.gz LCQUBNMSKKHGTL-CQSZACIVSA-N -1 3 380.416 0.473 20 0 GCADHM CC(C)[C@]1(C)CC(=O)N(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1=O ZINC000735747479 599203452 /nfs/dbraw/zinc/20/34/52/599203452.db2.gz RFMHYDMOPBLDRX-IBGZPJMESA-N -1 3 398.471 0.762 20 0 GCADHM CC(C)[C@]1(C)CC(=O)N(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1=O ZINC000735747479 599203455 /nfs/dbraw/zinc/20/34/55/599203455.db2.gz RFMHYDMOPBLDRX-IBGZPJMESA-N -1 3 398.471 0.762 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658750 599208345 /nfs/dbraw/zinc/20/83/45/599208345.db2.gz UROQIMJJIZCDAY-ABAIWWIYSA-N -1 3 395.427 0.322 20 0 GCADHM C[C@H]1C[C@H](NC(=O)COc2ccccc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820656400 599211456 /nfs/dbraw/zinc/21/14/56/599211456.db2.gz FDNNSHHKUWPBFH-FZMZJTMJSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@H]1C[C@H](NC(=O)COc2ccccc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820656400 599211458 /nfs/dbraw/zinc/21/14/58/599211458.db2.gz FDNNSHHKUWPBFH-FZMZJTMJSA-N -1 3 396.411 0.289 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736883850 599213651 /nfs/dbraw/zinc/21/36/51/599213651.db2.gz STPHRKHRIRHPIC-FARCUNLSSA-N -1 3 393.407 0.830 20 0 GCADHM CC[S@](=O)CCNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736663300 599214307 /nfs/dbraw/zinc/21/43/07/599214307.db2.gz CRPNPNBOSMABII-MHZLTWQESA-N -1 3 391.501 0.857 20 0 GCADHM CC[S@](=O)CCNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736663300 599214309 /nfs/dbraw/zinc/21/43/09/599214309.db2.gz CRPNPNBOSMABII-MHZLTWQESA-N -1 3 391.501 0.857 20 0 GCADHM CC[S@](=O)CCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736665035 599214623 /nfs/dbraw/zinc/21/46/23/599214623.db2.gz NTPGXBGCQGTLKX-SANMLTNESA-N -1 3 377.474 0.467 20 0 GCADHM CC[S@](=O)CCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736665035 599214625 /nfs/dbraw/zinc/21/46/25/599214625.db2.gz NTPGXBGCQGTLKX-SANMLTNESA-N -1 3 377.474 0.467 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737879750 599214647 /nfs/dbraw/zinc/21/46/47/599214647.db2.gz YGBAKXYJJQFLKG-HUUCEWRRSA-N -1 3 398.423 0.537 20 0 GCADHM C[S@](=O)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737172150 599215151 /nfs/dbraw/zinc/21/51/51/599215151.db2.gz GWVCVMXSZSTUMN-SANMLTNESA-N -1 3 381.437 0.216 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[S@](=O)CC ZINC000736637597 599218939 /nfs/dbraw/zinc/21/89/39/599218939.db2.gz WMNNEJXKQDBAIP-AREMUKBSSA-N -1 3 380.430 0.089 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[S@](=O)CC ZINC000736637597 599218940 /nfs/dbraw/zinc/21/89/40/599218940.db2.gz WMNNEJXKQDBAIP-AREMUKBSSA-N -1 3 380.430 0.089 20 0 GCADHM CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736662979 599219438 /nfs/dbraw/zinc/21/94/38/599219438.db2.gz ACQJYSMPZSMALS-HHHXNRCGSA-N -1 3 394.457 0.477 20 0 GCADHM CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736662979 599219441 /nfs/dbraw/zinc/21/94/41/599219441.db2.gz ACQJYSMPZSMALS-HHHXNRCGSA-N -1 3 394.457 0.477 20 0 GCADHM Cn1cc(S(=O)(=O)NCCSCc2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000822684723 599224383 /nfs/dbraw/zinc/22/43/83/599224383.db2.gz FZSVAVOVWIXZNT-UHFFFAOYSA-N -1 3 397.461 0.951 20 0 GCADHM Cn1cc(S(=O)(=O)NCCSCc2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000822684723 599224385 /nfs/dbraw/zinc/22/43/85/599224385.db2.gz FZSVAVOVWIXZNT-UHFFFAOYSA-N -1 3 397.461 0.951 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000739605995 596900621 /nfs/dbraw/zinc/90/06/21/596900621.db2.gz LCOZDSVPNYEJJM-UHFFFAOYSA-N -1 3 397.497 0.005 20 0 GCADHM CC(C)n1ncc2cc(C=CC(=O)N(CCN(C)C)CC(=O)[O-])c(=O)[nH]c21 ZINC000738887747 596901787 /nfs/dbraw/zinc/90/17/87/596901787.db2.gz KUOURCSOEHNHQW-WAYWQWQTSA-N -1 3 375.429 0.794 20 0 GCADHM CCNS(=O)(=O)c1ccc(F)c(C(=O)N(CCN(C)C)CC(=O)[O-])c1 ZINC000739465030 596901883 /nfs/dbraw/zinc/90/18/83/596901883.db2.gz FBMFKQIUYJKVCE-UHFFFAOYSA-N -1 3 375.422 0.212 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821688263 607261203 /nfs/dbraw/zinc/26/12/03/607261203.db2.gz DVJMQTSNKVILBD-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821688263 607261204 /nfs/dbraw/zinc/26/12/04/607261204.db2.gz DVJMQTSNKVILBD-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM CC[C@](C)(NC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)C(N)=O ZINC000820852538 607262086 /nfs/dbraw/zinc/26/20/86/607262086.db2.gz CFGZPFXHXKDHSC-KRWDZBQOSA-N -1 3 376.417 0.805 20 0 GCADHM CC[C@](C)(NC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)C(N)=O ZINC000820852538 607262087 /nfs/dbraw/zinc/26/20/87/607262087.db2.gz CFGZPFXHXKDHSC-KRWDZBQOSA-N -1 3 376.417 0.805 20 0 GCADHM CCCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000821082516 607262663 /nfs/dbraw/zinc/26/26/63/607262663.db2.gz LYEIIBZMCHLFMX-SNVBAGLBSA-N -1 3 384.849 0.954 20 0 GCADHM CCCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000821082516 607262664 /nfs/dbraw/zinc/26/26/64/607262664.db2.gz LYEIIBZMCHLFMX-SNVBAGLBSA-N -1 3 384.849 0.954 20 0 GCADHM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821662800 599232682 /nfs/dbraw/zinc/23/26/82/599232682.db2.gz UESUCGJNJMUYBT-UHFFFAOYSA-N -1 3 381.414 0.209 20 0 GCADHM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821662800 599232683 /nfs/dbraw/zinc/23/26/83/599232683.db2.gz UESUCGJNJMUYBT-UHFFFAOYSA-N -1 3 381.414 0.209 20 0 GCADHM COC(=O)C1(NCc2ccc(F)cc2-c2nnn[n-]2)CCS(=O)(=O)CC1 ZINC000821653642 607264740 /nfs/dbraw/zinc/26/47/40/607264740.db2.gz GPLCSTUBXJFFDA-UHFFFAOYSA-N -1 3 383.405 0.216 20 0 GCADHM COC(=O)C1(NCc2ccc(F)cc2-c2nn[n-]n2)CCS(=O)(=O)CC1 ZINC000821653642 607264741 /nfs/dbraw/zinc/26/47/41/607264741.db2.gz GPLCSTUBXJFFDA-UHFFFAOYSA-N -1 3 383.405 0.216 20 0 GCADHM CNC(=O)Cn1cnc(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)n1 ZINC000736878866 599229121 /nfs/dbraw/zinc/22/91/21/599229121.db2.gz JTACIZRLHDIKCY-UHFFFAOYSA-N -1 3 396.371 0.149 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)n1 ZINC000737613830 599234690 /nfs/dbraw/zinc/23/46/90/599234690.db2.gz RKFUFGXWJSWHKC-CDNLZTBQSA-N -1 3 392.423 0.925 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)n1 ZINC000737613830 599234693 /nfs/dbraw/zinc/23/46/93/599234693.db2.gz RKFUFGXWJSWHKC-CDNLZTBQSA-N -1 3 392.423 0.925 20 0 GCADHM CN(CCCN1CCN(C)CC1)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000739737691 597004823 /nfs/dbraw/zinc/00/48/23/597004823.db2.gz PXXYUFVJXIRSNS-SFHVURJKSA-N -1 3 387.484 0.802 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2C[C@@H]3[C@H](C2)OCCN3C)c(-c2nnn[n-]2)c1C ZINC000822542581 607265635 /nfs/dbraw/zinc/26/56/35/607265635.db2.gz ZWIGKKOPGLMITN-UHTWSYAYSA-N -1 3 375.433 0.418 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2C[C@@H]3[C@H](C2)OCCN3C)c(-c2nn[n-]n2)c1C ZINC000822542581 607265636 /nfs/dbraw/zinc/26/56/36/607265636.db2.gz ZWIGKKOPGLMITN-UHTWSYAYSA-N -1 3 375.433 0.418 20 0 GCADHM COCCN1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000737002444 599237236 /nfs/dbraw/zinc/23/72/36/599237236.db2.gz BATAHNMJBZCWAA-CYBMUJFWSA-N -1 3 380.474 0.349 20 0 GCADHM COCCN1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000737002444 599237238 /nfs/dbraw/zinc/23/72/38/599237238.db2.gz BATAHNMJBZCWAA-CYBMUJFWSA-N -1 3 380.474 0.349 20 0 GCADHM CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H](C(=O)[O-])C(C)C)cc2)CC1 ZINC000818208134 597038507 /nfs/dbraw/zinc/03/85/07/597038507.db2.gz WGOMXFFUWDZHAJ-KRWDZBQOSA-N -1 3 390.484 0.988 20 0 GCADHM Cn1nc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1C1CC1 ZINC000737620784 599239398 /nfs/dbraw/zinc/23/93/98/599239398.db2.gz CPPIUXHPKFLOIP-UHFFFAOYSA-N -1 3 379.428 0.835 20 0 GCADHM Cn1nc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1C1CC1 ZINC000737620784 599239399 /nfs/dbraw/zinc/23/93/99/599239399.db2.gz CPPIUXHPKFLOIP-UHFFFAOYSA-N -1 3 379.428 0.835 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)CC(C)(C)C ZINC000737058583 599244190 /nfs/dbraw/zinc/24/41/90/599244190.db2.gz NBSVHTNYPWVOPM-LLVKDONJSA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)CC(C)(C)C ZINC000737058583 599244191 /nfs/dbraw/zinc/24/41/91/599244191.db2.gz NBSVHTNYPWVOPM-LLVKDONJSA-N -1 3 376.417 0.727 20 0 GCADHM O=C(COC(=O)COC1CCOCC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737904458 599242517 /nfs/dbraw/zinc/24/25/17/599242517.db2.gz MJDBZGUWPIWLFT-UHFFFAOYSA-N -1 3 375.385 0.222 20 0 GCADHM O=C(COC(=O)COC1CCOCC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737904458 599242518 /nfs/dbraw/zinc/24/25/18/599242518.db2.gz MJDBZGUWPIWLFT-UHFFFAOYSA-N -1 3 375.385 0.222 20 0 GCADHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N(CCN(C)C)CC(=O)[O-] ZINC000533193406 597127175 /nfs/dbraw/zinc/12/71/75/597127175.db2.gz LONHLTZKNGDKBX-UHFFFAOYSA-N -1 3 377.445 0.698 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCNC(=O)c2cccnc2)cccc1-c1nnn[n-]1 ZINC000822054047 607272538 /nfs/dbraw/zinc/27/25/38/607272538.db2.gz UKUJYDORPNWTRA-UHFFFAOYSA-N -1 3 394.395 0.055 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCNC(=O)c2cccnc2)cccc1-c1nn[n-]n1 ZINC000822054047 607272539 /nfs/dbraw/zinc/27/25/39/607272539.db2.gz UKUJYDORPNWTRA-UHFFFAOYSA-N -1 3 394.395 0.055 20 0 GCADHM COCCN1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC000737005635 599244233 /nfs/dbraw/zinc/24/42/33/599244233.db2.gz SJNJCIYBCDSXSD-LBPRGKRZSA-N -1 3 377.424 0.868 20 0 GCADHM Cc1c(NC(=O)C(=O)NC2CCN(CC(F)F)CC2)cccc1-c1nnn[n-]1 ZINC000822053846 607275710 /nfs/dbraw/zinc/27/57/10/607275710.db2.gz RZJIILOMMZWNCL-UHFFFAOYSA-N -1 3 393.398 0.959 20 0 GCADHM Cc1c(NC(=O)C(=O)NC2CCN(CC(F)F)CC2)cccc1-c1nn[n-]n1 ZINC000822053846 607275711 /nfs/dbraw/zinc/27/57/11/607275711.db2.gz RZJIILOMMZWNCL-UHFFFAOYSA-N -1 3 393.398 0.959 20 0 GCADHM Cc1c(NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000822035570 607275850 /nfs/dbraw/zinc/27/58/50/607275850.db2.gz WSIYNLSSIZUHMR-QWRGUYRKSA-N -1 3 394.457 0.394 20 0 GCADHM Cc1c(NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000822035570 607275851 /nfs/dbraw/zinc/27/58/51/607275851.db2.gz WSIYNLSSIZUHMR-QWRGUYRKSA-N -1 3 394.457 0.394 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCN2CCSCC2)cccc1-c1nn[n-]n1 ZINC000822054208 607276091 /nfs/dbraw/zinc/27/60/91/607276091.db2.gz WDGHDVIRJWVBOD-UHFFFAOYSA-N -1 3 375.458 0.279 20 0 GCADHM COCCN1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC000737005634 599244591 /nfs/dbraw/zinc/24/45/91/599244591.db2.gz SJNJCIYBCDSXSD-GFCCVEGCSA-N -1 3 377.424 0.868 20 0 GCADHM COCCN1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC000737005696 599244752 /nfs/dbraw/zinc/24/47/52/599244752.db2.gz SWSKLUNUQMBSOB-CYBMUJFWSA-N -1 3 389.464 0.036 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000738091093 599244797 /nfs/dbraw/zinc/24/47/97/599244797.db2.gz ZFXGBCOYHWDPFT-RYUDHWBXSA-N -1 3 398.345 0.819 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cccc1-c1nnn[n-]1 ZINC000822045155 607276803 /nfs/dbraw/zinc/27/68/03/607276803.db2.gz PPMPYQMGLWGOGN-LBPRGKRZSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)cccc1-c1nn[n-]n1 ZINC000822045155 607276804 /nfs/dbraw/zinc/27/68/04/607276804.db2.gz PPMPYQMGLWGOGN-LBPRGKRZSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCOC[C@@H]2CCOC2)cccc1-c1nnn[n-]1 ZINC000822053311 607277715 /nfs/dbraw/zinc/27/77/15/607277715.db2.gz MCJWHNBNRYWYSO-ZDUSSCGKSA-N -1 3 388.428 0.673 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCOC[C@@H]2CCOC2)cccc1-c1nn[n-]n1 ZINC000822053311 607277716 /nfs/dbraw/zinc/27/77/16/607277716.db2.gz MCJWHNBNRYWYSO-ZDUSSCGKSA-N -1 3 388.428 0.673 20 0 GCADHM COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821653898 607278059 /nfs/dbraw/zinc/27/80/59/607278059.db2.gz ODGMGQJYWIDWOQ-INIZCTEOSA-N -1 3 376.348 0.227 20 0 GCADHM COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821653898 607278060 /nfs/dbraw/zinc/27/80/60/607278060.db2.gz ODGMGQJYWIDWOQ-INIZCTEOSA-N -1 3 376.348 0.227 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000822054121 607278526 /nfs/dbraw/zinc/27/85/26/607278526.db2.gz USHPSDYYRZLSRP-UHFFFAOYSA-N -1 3 380.430 0.053 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000822054121 607278527 /nfs/dbraw/zinc/27/85/27/607278527.db2.gz USHPSDYYRZLSRP-UHFFFAOYSA-N -1 3 380.430 0.053 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)cccc1-c1nnn[n-]1 ZINC000822044207 607274537 /nfs/dbraw/zinc/27/45/37/607274537.db2.gz ILRSOUMDQUWVME-CQSZACIVSA-N -1 3 399.455 0.437 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)cccc1-c1nn[n-]n1 ZINC000822044207 607274538 /nfs/dbraw/zinc/27/45/38/607274538.db2.gz ILRSOUMDQUWVME-CQSZACIVSA-N -1 3 399.455 0.437 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCN2CCCCC2=O)cccc1-c1nnn[n-]1 ZINC000822053343 607275260 /nfs/dbraw/zinc/27/52/60/607275260.db2.gz MLUIAHUVAQEJJO-UHFFFAOYSA-N -1 3 385.428 0.632 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCN2CCCCC2=O)cccc1-c1nn[n-]n1 ZINC000822053343 607275261 /nfs/dbraw/zinc/27/52/61/607275261.db2.gz MLUIAHUVAQEJJO-UHFFFAOYSA-N -1 3 385.428 0.632 20 0 GCADHM CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc2)CC1 ZINC000818208136 597220439 /nfs/dbraw/zinc/22/04/39/597220439.db2.gz WGOMXFFUWDZHAJ-QGZVFWFLSA-N -1 3 390.484 0.988 20 0 GCADHM C[C@@H]1CN(c2ccc(C(=O)Nc3ccncc3-c3nnn[n-]3)cn2)C[C@@H](C)O1 ZINC000736288512 599249682 /nfs/dbraw/zinc/24/96/82/599249682.db2.gz IBEYLQRYMQWFCQ-VXGBXAGGSA-N -1 3 380.412 0.945 20 0 GCADHM C[C@@H]1CN(c2ccc(C(=O)Nc3ccncc3-c3nn[n-]n3)cn2)C[C@@H](C)O1 ZINC000736288512 599249684 /nfs/dbraw/zinc/24/96/84/599249684.db2.gz IBEYLQRYMQWFCQ-VXGBXAGGSA-N -1 3 380.412 0.945 20 0 GCADHM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccncc2-c2nnn[n-]2)C1=O ZINC000736231527 599249870 /nfs/dbraw/zinc/24/98/70/599249870.db2.gz XXBPJFIPSAPCQU-SFHVURJKSA-N -1 3 392.379 0.089 20 0 GCADHM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccncc2-c2nn[n-]n2)C1=O ZINC000736231527 599249873 /nfs/dbraw/zinc/24/98/73/599249873.db2.gz XXBPJFIPSAPCQU-SFHVURJKSA-N -1 3 392.379 0.089 20 0 GCADHM CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000737853646 597242750 /nfs/dbraw/zinc/24/27/50/597242750.db2.gz NHTUDIVGMFLTSF-CQSZACIVSA-N -1 3 376.457 0.394 20 0 GCADHM O=C(N=c1cc[nH]cc1-c1nnn[n-]1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000738196732 599254940 /nfs/dbraw/zinc/25/49/40/599254940.db2.gz ZYONGHZLBFEYET-UHFFFAOYSA-N -1 3 389.397 0.313 20 0 GCADHM O=C(N=c1cc[nH]cc1-c1nn[n-]n1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000738196732 599254941 /nfs/dbraw/zinc/25/49/41/599254941.db2.gz ZYONGHZLBFEYET-UHFFFAOYSA-N -1 3 389.397 0.313 20 0 GCADHM Cc1c(NC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cccc1-c1nnn[n-]1 ZINC000822096423 607291877 /nfs/dbraw/zinc/29/18/77/607291877.db2.gz MNVFMGROXNAGJH-BTDLBPIBSA-N -1 3 384.400 0.675 20 0 GCADHM Cc1c(NC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cccc1-c1nn[n-]n1 ZINC000822096423 607291878 /nfs/dbraw/zinc/29/18/78/607291878.db2.gz MNVFMGROXNAGJH-BTDLBPIBSA-N -1 3 384.400 0.675 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000820314842 607292771 /nfs/dbraw/zinc/29/27/71/607292771.db2.gz KUGNGGITJIVZQN-ZANVPECISA-N -1 3 393.835 0.294 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000819788815 607293661 /nfs/dbraw/zinc/29/36/61/607293661.db2.gz HNIKGGSYAUGYSC-OAHLLOKOSA-N -1 3 396.411 0.821 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000819788815 607293662 /nfs/dbraw/zinc/29/36/62/607293662.db2.gz HNIKGGSYAUGYSC-OAHLLOKOSA-N -1 3 396.411 0.821 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000738299614 599258925 /nfs/dbraw/zinc/25/89/25/599258925.db2.gz ADWGSLDAKSAMNT-UHFFFAOYSA-N -1 3 378.352 0.094 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000738299614 599258926 /nfs/dbraw/zinc/25/89/26/599258926.db2.gz ADWGSLDAKSAMNT-UHFFFAOYSA-N -1 3 378.352 0.094 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2ncccc21 ZINC000820438568 607293676 /nfs/dbraw/zinc/29/36/76/607293676.db2.gz SDLAUVXHWZYZTR-LLVKDONJSA-N -1 3 399.436 0.518 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ncccc21 ZINC000820438568 607293677 /nfs/dbraw/zinc/29/36/77/607293677.db2.gz SDLAUVXHWZYZTR-LLVKDONJSA-N -1 3 399.436 0.518 20 0 GCADHM CNC(=O)CN1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(C)cc32)CC1 ZINC000736872926 599259154 /nfs/dbraw/zinc/25/91/54/599259154.db2.gz DQRGWWBSTQCQHN-UHFFFAOYSA-N -1 3 380.456 0.900 20 0 GCADHM CNC(=O)CN1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(C)cc32)CC1 ZINC000736872926 599259155 /nfs/dbraw/zinc/25/91/55/599259155.db2.gz DQRGWWBSTQCQHN-UHFFFAOYSA-N -1 3 380.456 0.900 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cncc(I)c1 ZINC000820539661 597411820 /nfs/dbraw/zinc/41/18/20/597411820.db2.gz VFHYQRGQMWCRMH-UHFFFAOYSA-N -1 3 377.182 0.775 20 0 GCADHM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N(CCN(C)C)CC(=O)[O-])C2=O ZINC000820221564 597412064 /nfs/dbraw/zinc/41/20/64/597412064.db2.gz RBLGZDIZBQGDAP-STQMWFEESA-N -1 3 382.461 0.208 20 0 GCADHM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2-c2nnn[n-]2)c1 ZINC000737174338 599259841 /nfs/dbraw/zinc/25/98/41/599259841.db2.gz VGJMZTWQKPTLBC-UHFFFAOYSA-N -1 3 378.801 0.993 20 0 GCADHM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccncc2-c2nn[n-]n2)c1 ZINC000737174338 599259842 /nfs/dbraw/zinc/25/98/42/599259842.db2.gz VGJMZTWQKPTLBC-UHFFFAOYSA-N -1 3 378.801 0.993 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609795 599260330 /nfs/dbraw/zinc/26/03/30/599260330.db2.gz JMSJXTCSXZVONJ-XHPSBEMXSA-N -1 3 378.396 0.535 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609795 599260333 /nfs/dbraw/zinc/26/03/33/599260333.db2.gz JMSJXTCSXZVONJ-XHPSBEMXSA-N -1 3 378.396 0.535 20 0 GCADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCN(C[C@H]2CCCO2)CC1 ZINC000823498178 607298885 /nfs/dbraw/zinc/29/88/85/607298885.db2.gz GCRSPAHIDFONPX-GFCCVEGCSA-N -1 3 377.836 0.852 20 0 GCADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCN(C[C@H]2CCCO2)CC1 ZINC000823498178 607298886 /nfs/dbraw/zinc/29/88/86/607298886.db2.gz GCRSPAHIDFONPX-GFCCVEGCSA-N -1 3 377.836 0.852 20 0 GCADHM CCNC(=O)CN1CCCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000821284806 607299081 /nfs/dbraw/zinc/29/90/81/607299081.db2.gz IDDOMUXUBUNAGP-UHFFFAOYSA-N -1 3 392.851 0.199 20 0 GCADHM CCNC(=O)CN1CCCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821284806 607299082 /nfs/dbraw/zinc/29/90/82/607299082.db2.gz IDDOMUXUBUNAGP-UHFFFAOYSA-N -1 3 392.851 0.199 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000738194678 599260748 /nfs/dbraw/zinc/26/07/48/599260748.db2.gz IDYKSHHHCRDVBN-UHFFFAOYSA-N -1 3 399.436 0.720 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000738194678 599260749 /nfs/dbraw/zinc/26/07/49/599260749.db2.gz IDYKSHHHCRDVBN-UHFFFAOYSA-N -1 3 399.436 0.720 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000735473516 599264377 /nfs/dbraw/zinc/26/43/77/599264377.db2.gz ITMNOHXCBBHHTO-CYBMUJFWSA-N -1 3 376.442 0.322 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000735473516 599264380 /nfs/dbraw/zinc/26/43/80/599264380.db2.gz ITMNOHXCBBHHTO-CYBMUJFWSA-N -1 3 376.442 0.322 20 0 GCADHM Cc1c(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cccc1C(=O)NCCO ZINC000822123210 607310031 /nfs/dbraw/zinc/31/00/31/607310031.db2.gz VWIPLXFEQADEKO-GFCCVEGCSA-N -1 3 397.443 0.248 20 0 GCADHM Cc1c(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cccc1C(=O)NCCO ZINC000822123210 607310032 /nfs/dbraw/zinc/31/00/32/607310032.db2.gz VWIPLXFEQADEKO-GFCCVEGCSA-N -1 3 397.443 0.248 20 0 GCADHM CS(=O)(=O)Nc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821937722 607310789 /nfs/dbraw/zinc/31/07/89/607310789.db2.gz PWXNGMKDHIASDK-JTQLQIEISA-N -1 3 389.445 0.589 20 0 GCADHM CS(=O)(=O)Nc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821937722 607310790 /nfs/dbraw/zinc/31/07/90/607310790.db2.gz PWXNGMKDHIASDK-JTQLQIEISA-N -1 3 389.445 0.589 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)C1 ZINC000823614995 607304164 /nfs/dbraw/zinc/30/41/64/607304164.db2.gz WSAIOVQPVDIRMB-GFCCVEGCSA-N -1 3 382.877 0.829 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)C1 ZINC000823614995 607304165 /nfs/dbraw/zinc/30/41/65/607304165.db2.gz WSAIOVQPVDIRMB-GFCCVEGCSA-N -1 3 382.877 0.829 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(Cc3cn4ccccc4c3-c3nnn[n-]3)C2=O)cn1 ZINC000822674638 607304799 /nfs/dbraw/zinc/30/47/99/607304799.db2.gz YNRZEWDYGXENQD-GOSISDBHSA-N -1 3 391.395 0.820 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(Cc3cn4ccccc4c3-c3nn[n-]n3)C2=O)cn1 ZINC000822674638 607304800 /nfs/dbraw/zinc/30/48/00/607304800.db2.gz YNRZEWDYGXENQD-GOSISDBHSA-N -1 3 391.395 0.820 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(CCOc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822673755 607304823 /nfs/dbraw/zinc/30/48/23/607304823.db2.gz AIKMLBMHNPAPSQ-QGZVFWFLSA-N -1 3 382.384 0.446 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(CCOc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822673755 607304824 /nfs/dbraw/zinc/30/48/24/607304824.db2.gz AIKMLBMHNPAPSQ-QGZVFWFLSA-N -1 3 382.384 0.446 20 0 GCADHM CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)cc21 ZINC000818385814 597523214 /nfs/dbraw/zinc/52/32/14/597523214.db2.gz UQLMUELIJJFOTD-NSHDSACASA-N -1 3 390.396 0.028 20 0 GCADHM CC(=O)NC[C@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000735473878 599269856 /nfs/dbraw/zinc/26/98/56/599269856.db2.gz KJYUPEKVDOOGQH-LBPRGKRZSA-N -1 3 393.835 0.296 20 0 GCADHM CC(=O)NC[C@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000735473878 599269858 /nfs/dbraw/zinc/26/98/58/599269858.db2.gz KJYUPEKVDOOGQH-LBPRGKRZSA-N -1 3 393.835 0.296 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(NC(=O)C3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC000737770328 599271477 /nfs/dbraw/zinc/27/14/77/599271477.db2.gz SPGPUBLGJXCABL-UHFFFAOYSA-N -1 3 391.457 0.009 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(NC(=O)C3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC000737770328 599271478 /nfs/dbraw/zinc/27/14/78/599271478.db2.gz SPGPUBLGJXCABL-UHFFFAOYSA-N -1 3 391.457 0.009 20 0 GCADHM CC(=O)NCCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@@H](C)C(=O)[O-] ZINC000819744494 597688861 /nfs/dbraw/zinc/68/88/61/597688861.db2.gz PNCWWEYINANRDR-WMLDXEAASA-N -1 3 376.457 0.731 20 0 GCADHM COc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1-n1cnnn1 ZINC000821835991 607317912 /nfs/dbraw/zinc/31/79/12/607317912.db2.gz WNSMVNSTNCAZKD-SNVBAGLBSA-N -1 3 394.403 0.201 20 0 GCADHM COc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1-n1cnnn1 ZINC000821835991 607317913 /nfs/dbraw/zinc/31/79/13/607317913.db2.gz WNSMVNSTNCAZKD-SNVBAGLBSA-N -1 3 394.403 0.201 20 0 GCADHM Cc1nsc(N2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000737546461 599279459 /nfs/dbraw/zinc/27/94/59/599279459.db2.gz CWDWIMNMTQBRMB-UHFFFAOYSA-N -1 3 386.441 0.754 20 0 GCADHM Cc1nsc(N2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000737546461 599279462 /nfs/dbraw/zinc/27/94/62/599279462.db2.gz CWDWIMNMTQBRMB-UHFFFAOYSA-N -1 3 386.441 0.754 20 0 GCADHM CO[C@@H](C)COC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821673525 607320181 /nfs/dbraw/zinc/32/01/81/607320181.db2.gz DPYAHXJXEVOWAW-GXFFZTMASA-N -1 3 388.384 0.650 20 0 GCADHM CO[C@@H](C)COC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821673525 607320182 /nfs/dbraw/zinc/32/01/82/607320182.db2.gz DPYAHXJXEVOWAW-GXFFZTMASA-N -1 3 388.384 0.650 20 0 GCADHM O=C(Nc1nnc2ccccn21)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738206335 599281838 /nfs/dbraw/zinc/28/18/38/599281838.db2.gz CUQAECTUTXOYSY-UHFFFAOYSA-N -1 3 391.399 0.659 20 0 GCADHM O=C(Nc1nnc2ccccn21)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738206335 599281840 /nfs/dbraw/zinc/28/18/40/599281840.db2.gz CUQAECTUTXOYSY-UHFFFAOYSA-N -1 3 391.399 0.659 20 0 GCADHM Cn1cccc(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1=O ZINC000822688924 599284732 /nfs/dbraw/zinc/28/47/32/599284732.db2.gz DUEKNWSUJCDZJK-UHFFFAOYSA-N -1 3 381.400 0.315 20 0 GCADHM Cn1cccc(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1=O ZINC000822688924 599284735 /nfs/dbraw/zinc/28/47/35/599284735.db2.gz DUEKNWSUJCDZJK-UHFFFAOYSA-N -1 3 381.400 0.315 20 0 GCADHM O=C1[C@H](NCc2nnc3n2CCCC3)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738298784 599289430 /nfs/dbraw/zinc/28/94/30/599289430.db2.gz XZIIUEKAROSLMT-CQSZACIVSA-N -1 3 379.428 0.690 20 0 GCADHM O=C1[C@H](NCc2nnc3n2CCCC3)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738298784 599289434 /nfs/dbraw/zinc/28/94/34/599289434.db2.gz XZIIUEKAROSLMT-CQSZACIVSA-N -1 3 379.428 0.690 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)nn1 ZINC000821663652 607320913 /nfs/dbraw/zinc/32/09/13/607320913.db2.gz IKBFNSIKQGFKLG-AEZGRPFRSA-N -1 3 383.368 0.949 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)nn1 ZINC000821663652 607320914 /nfs/dbraw/zinc/32/09/14/607320914.db2.gz IKBFNSIKQGFKLG-AEZGRPFRSA-N -1 3 383.368 0.949 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000821700664 607321147 /nfs/dbraw/zinc/32/11/47/607321147.db2.gz UMAVOLALBVRJFP-IAQYHMDHSA-N -1 3 376.417 0.089 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000819991289 607324133 /nfs/dbraw/zinc/32/41/33/607324133.db2.gz DYUXBLNLLBTRIM-HNNXBMFYSA-N -1 3 386.456 0.957 20 0 GCADHM CNC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821636177 607333444 /nfs/dbraw/zinc/33/34/44/607333444.db2.gz IDNQICZPORIREP-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM CNC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821636177 607333445 /nfs/dbraw/zinc/33/34/45/607333445.db2.gz IDNQICZPORIREP-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)N1CCCCC1 ZINC000823162413 607333739 /nfs/dbraw/zinc/33/37/39/607333739.db2.gz VIYKLJXXHFDWRM-UHFFFAOYSA-N -1 3 375.364 0.073 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)N1CCCCC1 ZINC000823162413 607333740 /nfs/dbraw/zinc/33/37/40/607333740.db2.gz VIYKLJXXHFDWRM-UHFFFAOYSA-N -1 3 375.364 0.073 20 0 GCADHM Cn1cnnc1C1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000822704893 607334504 /nfs/dbraw/zinc/33/45/04/607334504.db2.gz QMDVPDZAKWTWMC-UHFFFAOYSA-N -1 3 399.390 0.479 20 0 GCADHM Cn1cnnc1C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000822704893 607334506 /nfs/dbraw/zinc/33/45/06/607334506.db2.gz QMDVPDZAKWTWMC-UHFFFAOYSA-N -1 3 399.390 0.479 20 0 GCADHM CC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000819803597 607336794 /nfs/dbraw/zinc/33/67/94/607336794.db2.gz NVKZMKWAAAFOOW-UHFFFAOYSA-N -1 3 375.364 0.071 20 0 GCADHM CC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000819803597 607336796 /nfs/dbraw/zinc/33/67/96/607336796.db2.gz NVKZMKWAAAFOOW-UHFFFAOYSA-N -1 3 375.364 0.071 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1CCN(CC(F)F)CC1 ZINC000823323459 607338116 /nfs/dbraw/zinc/33/81/16/607338116.db2.gz OLTBWOYROKWCNP-UHFFFAOYSA-N -1 3 397.361 0.790 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1CCN(CC(F)F)CC1 ZINC000823323459 607338118 /nfs/dbraw/zinc/33/81/18/607338118.db2.gz OLTBWOYROKWCNP-UHFFFAOYSA-N -1 3 397.361 0.790 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819882983 607338206 /nfs/dbraw/zinc/33/82/06/607338206.db2.gz DGZWCTLTGPOEAG-RKDXNWHRSA-N -1 3 398.420 0.224 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819882983 607338208 /nfs/dbraw/zinc/33/82/08/607338208.db2.gz DGZWCTLTGPOEAG-RKDXNWHRSA-N -1 3 398.420 0.224 20 0 GCADHM NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000822864793 607338264 /nfs/dbraw/zinc/33/82/64/607338264.db2.gz LRSNCZLCLPPAOK-JTQLQIEISA-N -1 3 389.391 0.448 20 0 GCADHM NC(=O)CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000822864793 607338265 /nfs/dbraw/zinc/33/82/65/607338265.db2.gz LRSNCZLCLPPAOK-JTQLQIEISA-N -1 3 389.391 0.448 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCN(CC(F)F)CC1 ZINC000823323294 607338267 /nfs/dbraw/zinc/33/82/67/607338267.db2.gz JVBHFURMYZYSFU-UHFFFAOYSA-N -1 3 383.334 0.354 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCN(CC(F)F)CC1 ZINC000823323294 607338268 /nfs/dbraw/zinc/33/82/68/607338268.db2.gz JVBHFURMYZYSFU-UHFFFAOYSA-N -1 3 383.334 0.354 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC000822850883 607338973 /nfs/dbraw/zinc/33/89/73/607338973.db2.gz SPXUYLGKMFADFT-UHFFFAOYSA-N -1 3 375.364 0.106 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000822850883 607338975 /nfs/dbraw/zinc/33/89/75/607338975.db2.gz SPXUYLGKMFADFT-UHFFFAOYSA-N -1 3 375.364 0.106 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC000821691281 607339526 /nfs/dbraw/zinc/33/95/26/607339526.db2.gz OUIDNTDQSQDIEB-LLVKDONJSA-N -1 3 391.407 0.123 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC000821691281 607339528 /nfs/dbraw/zinc/33/95/28/607339528.db2.gz OUIDNTDQSQDIEB-LLVKDONJSA-N -1 3 391.407 0.123 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820643412 607340464 /nfs/dbraw/zinc/34/04/64/607340464.db2.gz VUSNCIYFVGXAEJ-UXDGFGRTSA-N -1 3 380.405 0.312 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820643412 607340465 /nfs/dbraw/zinc/34/04/65/607340465.db2.gz 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O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000823323671 607341558 /nfs/dbraw/zinc/34/15/58/607341558.db2.gz YNJXHWCQSARCJJ-SNVBAGLBSA-N -1 3 388.281 0.734 20 0 GCADHM CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820338667 598174135 /nfs/dbraw/zinc/17/41/35/598174135.db2.gz LODHCQQPOGZWCG-UHFFFAOYSA-N -1 3 390.440 0.336 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820287154 607342562 /nfs/dbraw/zinc/34/25/62/607342562.db2.gz JLHCRVOETGTREU-GXSJLCMTSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820287154 607342563 /nfs/dbraw/zinc/34/25/63/607342563.db2.gz JLHCRVOETGTREU-GXSJLCMTSA-N -1 3 378.364 0.255 20 0 GCADHM O=C(NCCCNC(=O)C1CCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823192655 607342888 /nfs/dbraw/zinc/34/28/88/607342888.db2.gz YEWHUUXPFMBXOY-UHFFFAOYSA-N -1 3 389.391 0.367 20 0 GCADHM O=C(NCCCNC(=O)C1CCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823192655 607342890 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/nfs/dbraw/zinc/27/56/54/598275654.db2.gz FJWMJZZVSDCWJL-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM O=C(CN1CCOCC1)N1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737883265 598275656 /nfs/dbraw/zinc/27/56/56/598275656.db2.gz FJWMJZZVSDCWJL-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM COCC(=O)N1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000736965817 598279863 /nfs/dbraw/zinc/27/98/63/598279863.db2.gz HRYLOSMHDCZFOS-UHFFFAOYSA-N -1 3 390.448 0.746 20 0 GCADHM COCC(=O)N1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000736965817 598279864 /nfs/dbraw/zinc/27/98/64/598279864.db2.gz HRYLOSMHDCZFOS-UHFFFAOYSA-N -1 3 390.448 0.746 20 0 GCADHM CN(C1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1)S(C)(=O)=O ZINC000736779704 598282121 /nfs/dbraw/zinc/28/21/21/598282121.db2.gz OPIZGVLMCQOIAP-UHFFFAOYSA-N -1 3 393.473 0.432 20 0 GCADHM CN(C1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC000736779704 598282123 /nfs/dbraw/zinc/28/21/23/598282123.db2.gz OPIZGVLMCQOIAP-UHFFFAOYSA-N -1 3 393.473 0.432 20 0 GCADHM O=C(CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)Nc1cccnc1 ZINC000737889411 598284358 /nfs/dbraw/zinc/28/43/58/598284358.db2.gz MGKBAVMJTIFPCY-UHFFFAOYSA-N -1 3 382.388 0.007 20 0 GCADHM O=C(CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)Nc1cccnc1 ZINC000737889411 598284360 /nfs/dbraw/zinc/28/43/60/598284360.db2.gz MGKBAVMJTIFPCY-UHFFFAOYSA-N -1 3 382.388 0.007 20 0 GCADHM CC(=O)NC1CCC(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735474843 598284810 /nfs/dbraw/zinc/28/48/10/598284810.db2.gz LEHJZSCNQNDOPM-UHFFFAOYSA-N -1 3 387.448 0.420 20 0 GCADHM CC(=O)NC1CCC(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735474843 598284811 /nfs/dbraw/zinc/28/48/11/598284811.db2.gz LEHJZSCNQNDOPM-UHFFFAOYSA-N -1 3 387.448 0.420 20 0 GCADHM Cc1noc(CCNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000737535706 598285507 /nfs/dbraw/zinc/28/55/07/598285507.db2.gz XIUPMNQAQKIHMN-UHFFFAOYSA-N -1 3 384.404 0.027 20 0 GCADHM Cc1noc(CCNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000737535706 598285509 /nfs/dbraw/zinc/28/55/09/598285509.db2.gz XIUPMNQAQKIHMN-UHFFFAOYSA-N -1 3 384.404 0.027 20 0 GCADHM O=C(NCCCN1CCCS1(=O)=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000738067009 598286326 /nfs/dbraw/zinc/28/63/26/598286326.db2.gz XKPDJAIHPOMHPG-UHFFFAOYSA-N -1 3 379.446 0.092 20 0 GCADHM O=C(NCCCN1CCCS1(=O)=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738067009 598286327 /nfs/dbraw/zinc/28/63/27/598286327.db2.gz XKPDJAIHPOMHPG-UHFFFAOYSA-N -1 3 379.446 0.092 20 0 GCADHM CC1(C)NC(=O)N(CCS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736213814 598289524 /nfs/dbraw/zinc/28/95/24/598289524.db2.gz KUNGNUDPOUADKA-UHFFFAOYSA-N -1 3 378.414 0.112 20 0 GCADHM CC1(C)NC(=O)N(CCS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736213814 598289526 /nfs/dbraw/zinc/28/95/26/598289526.db2.gz KUNGNUDPOUADKA-UHFFFAOYSA-N -1 3 378.414 0.112 20 0 GCADHM C[C@H](Sc1nncn1C)C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000736194100 598291312 /nfs/dbraw/zinc/29/13/12/598291312.db2.gz YXJZJDISFPYXLR-VIFPVBQESA-N -1 3 375.418 0.526 20 0 GCADHM C[C@H](Sc1nncn1C)C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000736194100 598291314 /nfs/dbraw/zinc/29/13/14/598291314.db2.gz YXJZJDISFPYXLR-VIFPVBQESA-N -1 3 375.418 0.526 20 0 GCADHM CC(=O)N1CCC(NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000735465408 598292045 /nfs/dbraw/zinc/29/20/45/598292045.db2.gz JUKMSMKUPBOZKG-UHFFFAOYSA-N -1 3 398.471 0.709 20 0 GCADHM CC(=O)N1CCC(NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000735465408 598292047 /nfs/dbraw/zinc/29/20/47/598292047.db2.gz JUKMSMKUPBOZKG-UHFFFAOYSA-N -1 3 398.471 0.709 20 0 GCADHM CC(=O)N(CCC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)Cc1ccccc1 ZINC000735462316 598293637 /nfs/dbraw/zinc/29/36/37/598293637.db2.gz WRWUJBACVLCTDW-UHFFFAOYSA-N -1 3 398.427 0.627 20 0 GCADHM CC(=O)N(CCC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)Cc1ccccc1 ZINC000735462316 598293639 /nfs/dbraw/zinc/29/36/39/598293639.db2.gz WRWUJBACVLCTDW-UHFFFAOYSA-N -1 3 398.427 0.627 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000737770525 598295192 /nfs/dbraw/zinc/29/51/92/598295192.db2.gz KITSEHYDCKVTTI-UHFFFAOYSA-N -1 3 385.388 0.067 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000737770525 598295193 /nfs/dbraw/zinc/29/51/93/598295193.db2.gz KITSEHYDCKVTTI-UHFFFAOYSA-N -1 3 385.388 0.067 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCC(=O)N1CCc2ccccc21 ZINC000737893599 598302723 /nfs/dbraw/zinc/30/27/23/598302723.db2.gz AFRQSHJAUZQOPU-UHFFFAOYSA-N -1 3 377.408 0.984 20 0 GCADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000736284592 598305000 /nfs/dbraw/zinc/30/50/00/598305000.db2.gz BNJDDMBTTYDZML-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000736284592 598305001 /nfs/dbraw/zinc/30/50/01/598305001.db2.gz BNJDDMBTTYDZML-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM CCc1nc(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)no1 ZINC000736700943 598307128 /nfs/dbraw/zinc/30/71/28/598307128.db2.gz VYRIIJNWEKUTJX-UHFFFAOYSA-N -1 3 390.791 0.763 20 0 GCADHM CCc1nc(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)no1 ZINC000736700943 598307129 /nfs/dbraw/zinc/30/71/29/598307129.db2.gz VYRIIJNWEKUTJX-UHFFFAOYSA-N -1 3 390.791 0.763 20 0 GCADHM CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736412433 598307227 /nfs/dbraw/zinc/30/72/27/598307227.db2.gz ORBMROVPDIKONF-CYBMUJFWSA-N -1 3 399.455 0.960 20 0 GCADHM CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736412433 598307229 /nfs/dbraw/zinc/30/72/29/598307229.db2.gz ORBMROVPDIKONF-CYBMUJFWSA-N -1 3 399.455 0.960 20 0 GCADHM Cc1cc(S(N)(=O)=O)sc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737283428 598307958 /nfs/dbraw/zinc/30/79/58/598307958.db2.gz RFHJHSNEUYGEHT-UHFFFAOYSA-N -1 3 396.429 0.953 20 0 GCADHM O=C(CCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)N1CCOCC1 ZINC000738055652 598320099 /nfs/dbraw/zinc/32/00/99/598320099.db2.gz OHJZRNWDYYEBJR-UHFFFAOYSA-N -1 3 377.380 0.054 20 0 GCADHM O=C(CCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)N1CCOCC1 ZINC000738055652 598320101 /nfs/dbraw/zinc/32/01/01/598320101.db2.gz OHJZRNWDYYEBJR-UHFFFAOYSA-N -1 3 377.380 0.054 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736659264 598328384 /nfs/dbraw/zinc/32/83/84/598328384.db2.gz RBHXBJSNQSMFRK-UHFFFAOYSA-N -1 3 397.436 0.183 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736659264 598328386 /nfs/dbraw/zinc/32/83/86/598328386.db2.gz RBHXBJSNQSMFRK-UHFFFAOYSA-N -1 3 397.436 0.183 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1c1nccn2cnnc12 ZINC000820743110 607350159 /nfs/dbraw/zinc/35/01/59/607350159.db2.gz QLPMAPIUFDZVIB-LBPRGKRZSA-N -1 3 390.411 0.655 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1c1nccn2cnnc12 ZINC000820743110 607350161 /nfs/dbraw/zinc/35/01/61/607350161.db2.gz QLPMAPIUFDZVIB-LBPRGKRZSA-N -1 3 390.411 0.655 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736929957 598330307 /nfs/dbraw/zinc/33/03/07/598330307.db2.gz CAXLAOCKOSVSMP-UHFFFAOYSA-N -1 3 378.414 0.136 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736929957 598330309 /nfs/dbraw/zinc/33/03/09/598330309.db2.gz CAXLAOCKOSVSMP-UHFFFAOYSA-N -1 3 378.414 0.136 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736510511 598332498 /nfs/dbraw/zinc/33/24/98/598332498.db2.gz YJPRJTBSWOIWAJ-ZDUSSCGKSA-N -1 3 376.442 0.625 20 0 GCADHM CC[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000736408736 598334380 /nfs/dbraw/zinc/33/43/80/598334380.db2.gz UQMSPBWGRBWFAD-OAHLLOKOSA-N -1 3 385.428 0.699 20 0 GCADHM CC[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000736408736 598334382 /nfs/dbraw/zinc/33/43/82/598334382.db2.gz UQMSPBWGRBWFAD-OAHLLOKOSA-N -1 3 385.428 0.699 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)[C@H](C)CO1 ZINC000736285174 598334656 /nfs/dbraw/zinc/33/46/56/598334656.db2.gz IXFQNRJODYXBQU-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)[C@H](C)CO1 ZINC000736285174 598334658 /nfs/dbraw/zinc/33/46/58/598334658.db2.gz IXFQNRJODYXBQU-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM COc1cc(C)nc(N2CCN(c3nnc(C)c(C)c3-c3nnn[n-]3)CC2)n1 ZINC000737039493 598336465 /nfs/dbraw/zinc/33/64/65/598336465.db2.gz GIGLOBCVLSCUTE-UHFFFAOYSA-N -1 3 382.432 0.707 20 0 GCADHM COc1cc(C)nc(N2CCN(c3nnc(C)c(C)c3-c3nn[n-]n3)CC2)n1 ZINC000737039493 598336466 /nfs/dbraw/zinc/33/64/66/598336466.db2.gz GIGLOBCVLSCUTE-UHFFFAOYSA-N -1 3 382.432 0.707 20 0 GCADHM O=c1ccccn1CCN1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000738380648 598337661 /nfs/dbraw/zinc/33/76/61/598337661.db2.gz QSWGWRRZJGQKNK-UHFFFAOYSA-N -1 3 392.467 0.734 20 0 GCADHM O=c1ccccn1CCN1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000738380648 598337662 /nfs/dbraw/zinc/33/76/62/598337662.db2.gz QSWGWRRZJGQKNK-UHFFFAOYSA-N -1 3 392.467 0.734 20 0 GCADHM COc1cc2c(nn1)CCN(CC(=O)NCc1cccc(-c3nnn[n-]3)c1)C2 ZINC000737054754 598340906 /nfs/dbraw/zinc/34/09/06/598340906.db2.gz CZPIWDVIMUIISL-UHFFFAOYSA-N -1 3 380.412 0.340 20 0 GCADHM COc1cc2c(nn1)CCN(CC(=O)NCc1cccc(-c3nn[n-]n3)c1)C2 ZINC000737054754 598340908 /nfs/dbraw/zinc/34/09/08/598340908.db2.gz CZPIWDVIMUIISL-UHFFFAOYSA-N -1 3 380.412 0.340 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736284651 598344397 /nfs/dbraw/zinc/34/43/97/598344397.db2.gz CFQLQGVUEVNUJS-PBHICJAKSA-N -1 3 385.472 0.344 20 0 GCADHM Fc1cc(-c2nnn[n-]2)ccc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000737638931 598344737 /nfs/dbraw/zinc/34/47/37/598344737.db2.gz KXMIMNOTGBFBPD-UHFFFAOYSA-N -1 3 380.391 0.766 20 0 GCADHM Fc1cc(-c2nn[n-]n2)ccc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000737638931 598344740 /nfs/dbraw/zinc/34/47/40/598344740.db2.gz KXMIMNOTGBFBPD-UHFFFAOYSA-N -1 3 380.391 0.766 20 0 GCADHM Cc1nnc2n1CCN(C(=O)[C@@H]1CCCN1c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737533557 598346126 /nfs/dbraw/zinc/34/61/26/598346126.db2.gz NCPKQNISSXXBGC-HNNXBMFYSA-N -1 3 379.428 0.778 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCn2cnnc2C1 ZINC000737034042 598346219 /nfs/dbraw/zinc/34/62/19/598346219.db2.gz VRYXBMBNKNPSSH-UHFFFAOYSA-N -1 3 384.400 0.668 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCn2cnnc2C1 ZINC000737034042 598346222 /nfs/dbraw/zinc/34/62/22/598346222.db2.gz VRYXBMBNKNPSSH-UHFFFAOYSA-N -1 3 384.400 0.668 20 0 GCADHM C[C@@H](O)CN1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736146646 598346578 /nfs/dbraw/zinc/34/65/78/598346578.db2.gz JQDGVVNLXPZRTP-CYBMUJFWSA-N -1 3 376.486 0.625 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000736145156 598349129 /nfs/dbraw/zinc/34/91/29/598349129.db2.gz BNSTZJPLZXVVKD-YOEHRIQHSA-N -1 3 388.472 0.795 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000736145156 598349130 /nfs/dbraw/zinc/34/91/30/598349130.db2.gz BNSTZJPLZXVVKD-YOEHRIQHSA-N -1 3 388.472 0.795 20 0 GCADHM CC(C)c1nnc2n1CCN(CC(=O)NCc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000735953210 598350789 /nfs/dbraw/zinc/35/07/89/598350789.db2.gz PZJNXWQHNBCHRQ-UHFFFAOYSA-N -1 3 381.444 0.714 20 0 GCADHM CC(C)c1nnc2n1CCN(CC(=O)NCc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000735953210 598350791 /nfs/dbraw/zinc/35/07/91/598350791.db2.gz PZJNXWQHNBCHRQ-UHFFFAOYSA-N -1 3 381.444 0.714 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCn2cnnc2C1 ZINC000735571590 598351083 /nfs/dbraw/zinc/35/10/83/598351083.db2.gz ZIIQNBVHPTWGBD-VIFPVBQESA-N -1 3 385.457 0.851 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCn2cnnc2C1 ZINC000735571590 598351085 /nfs/dbraw/zinc/35/10/85/598351085.db2.gz ZIIQNBVHPTWGBD-VIFPVBQESA-N -1 3 385.457 0.851 20 0 GCADHM Cc1cnn(C[C@@H]2CN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737445295 598353037 /nfs/dbraw/zinc/35/30/37/598353037.db2.gz RWLGWYDWRNNQAO-INIZCTEOSA-N -1 3 382.428 0.711 20 0 GCADHM Cc1cnn(C[C@@H]2CN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737445295 598353039 /nfs/dbraw/zinc/35/30/39/598353039.db2.gz RWLGWYDWRNNQAO-INIZCTEOSA-N -1 3 382.428 0.711 20 0 GCADHM O=C(CCN1CCO[C@@H](Cn2cncn2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737843650 598353844 /nfs/dbraw/zinc/35/38/44/598353844.db2.gz LVVRTPCKKOXSBR-OAHLLOKOSA-N -1 3 383.416 0.188 20 0 GCADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000738389726 598353879 /nfs/dbraw/zinc/35/38/79/598353879.db2.gz ZNXBPWKLVDUZKR-WBVHZDCISA-N -1 3 385.428 0.204 20 0 GCADHM Cc1oc(NC(=O)CN2CCO[C@@H](Cn3cncn3)C2)c(-c2nnn[n-]2)c1C ZINC000737552331 598353886 /nfs/dbraw/zinc/35/38/86/598353886.db2.gz NIVAXYJDIVWNRV-GFCCVEGCSA-N -1 3 387.404 0.008 20 0 GCADHM O=C(CCN1CCO[C@@H](Cn2cccn2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737842466 598353964 /nfs/dbraw/zinc/35/39/64/598353964.db2.gz CBHKCPJNXVGYKY-MRXNPFEDSA-N -1 3 382.428 0.793 20 0 GCADHM Cc1nnc(CN2CCN(CCOc3ccccc3-c3nnn[n-]3)CC2)n1C ZINC000737521440 598358050 /nfs/dbraw/zinc/35/80/50/598358050.db2.gz LWCSRUYKXWFOGJ-UHFFFAOYSA-N -1 3 383.460 0.500 20 0 GCADHM Cc1nnc(CN2CCN(CCOc3ccccc3-c3nn[n-]n3)CC2)n1C ZINC000737521440 598358051 /nfs/dbraw/zinc/35/80/51/598358051.db2.gz LWCSRUYKXWFOGJ-UHFFFAOYSA-N -1 3 383.460 0.500 20 0 GCADHM NS(=O)(=O)CCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737765869 598358340 /nfs/dbraw/zinc/35/83/40/598358340.db2.gz QJZLDNRPLHQIFM-UHFFFAOYSA-N -1 3 392.397 0.057 20 0 GCADHM NS(=O)(=O)CCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737765869 598358342 /nfs/dbraw/zinc/35/83/42/598358342.db2.gz QJZLDNRPLHQIFM-UHFFFAOYSA-N -1 3 392.397 0.057 20 0 GCADHM CNC(=O)C1(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCC1 ZINC000736869896 598360791 /nfs/dbraw/zinc/36/07/91/598360791.db2.gz GFQFUHXSFJYORH-UHFFFAOYSA-N -1 3 383.456 0.427 20 0 GCADHM O=C(CN1Cc2ccccc2C1=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737885095 598361190 /nfs/dbraw/zinc/36/11/90/598361190.db2.gz SOEKCIZOOSKGKP-UHFFFAOYSA-N -1 3 378.396 0.446 20 0 GCADHM O=C(CN1Cc2ccccc2C1=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737885095 598361192 /nfs/dbraw/zinc/36/11/92/598361192.db2.gz SOEKCIZOOSKGKP-UHFFFAOYSA-N -1 3 378.396 0.446 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000736182406 598361497 /nfs/dbraw/zinc/36/14/97/598361497.db2.gz DYOLOFFJLLQWFM-CQSZACIVSA-N -1 3 396.455 0.712 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000736182406 598361498 /nfs/dbraw/zinc/36/14/98/598361498.db2.gz DYOLOFFJLLQWFM-CQSZACIVSA-N -1 3 396.455 0.712 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000736171889 598361676 /nfs/dbraw/zinc/36/16/76/598361676.db2.gz ZJFBQCGXEXXPDA-AWEZNQCLSA-N -1 3 396.455 0.712 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC(c2ncc[nH]2)CC1 ZINC000738074203 598362191 /nfs/dbraw/zinc/36/21/91/598362191.db2.gz IRONATAYHYBVDZ-UHFFFAOYSA-N -1 3 382.432 0.986 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC(c2ncc[nH]2)CC1 ZINC000738074203 598362192 /nfs/dbraw/zinc/36/21/92/598362192.db2.gz IRONATAYHYBVDZ-UHFFFAOYSA-N -1 3 382.432 0.986 20 0 GCADHM Cn1cc(CN2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737602532 598362368 /nfs/dbraw/zinc/36/23/68/598362368.db2.gz QKWWNLLWYMQOCJ-UHFFFAOYSA-N -1 3 381.444 0.357 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000736774663 598364817 /nfs/dbraw/zinc/36/48/17/598364817.db2.gz WSEOXECQKJMWJH-OAHLLOKOSA-N -1 3 396.455 0.521 20 0 GCADHM O=C(CN1CCC(Nc2cccnn2)CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737875333 598365014 /nfs/dbraw/zinc/36/50/14/598365014.db2.gz JKIIPZFVFGAJOL-UHFFFAOYSA-N -1 3 393.455 0.849 20 0 GCADHM CCc1nnc2n1CCN([C@H]1CCN(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000736710242 598366773 /nfs/dbraw/zinc/36/67/73/598366773.db2.gz GINUEOSUHQDQMZ-AWEZNQCLSA-N -1 3 379.428 0.642 20 0 GCADHM CCc1nnc2n1CCN([C@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000736710242 598366774 /nfs/dbraw/zinc/36/67/74/598366774.db2.gz GINUEOSUHQDQMZ-AWEZNQCLSA-N -1 3 379.428 0.642 20 0 GCADHM O=C(CCN1CCn2cnnc2C1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737847909 598367326 /nfs/dbraw/zinc/36/73/26/598367326.db2.gz UZIQCMZZCOJNJB-UHFFFAOYSA-N -1 3 385.457 0.853 20 0 GCADHM O=C(CCN1CCn2cnnc2C1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737847909 598367328 /nfs/dbraw/zinc/36/73/28/598367328.db2.gz UZIQCMZZCOJNJB-UHFFFAOYSA-N -1 3 385.457 0.853 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCCNC(=O)C1 ZINC000735569882 598368997 /nfs/dbraw/zinc/36/89/97/598368997.db2.gz JTBBFUZAJRYONS-SECBINFHSA-N -1 3 375.458 0.566 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCCNC(=O)C1 ZINC000735569882 598368999 /nfs/dbraw/zinc/36/89/99/598368999.db2.gz JTBBFUZAJRYONS-SECBINFHSA-N -1 3 375.458 0.566 20 0 GCADHM COCCN1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C1 ZINC000737006379 598371267 /nfs/dbraw/zinc/37/12/67/598371267.db2.gz HGQMFWRPTDHDGI-JTQLQIEISA-N -1 3 393.473 0.530 20 0 GCADHM O=C(NCCCN1C(=O)CCC1=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738066632 598372016 /nfs/dbraw/zinc/37/20/16/598372016.db2.gz SETMXJPPZHIAOR-UHFFFAOYSA-N -1 3 375.364 0.344 20 0 GCADHM O=C(NCCCN1C(=O)CCC1=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738066632 598372018 /nfs/dbraw/zinc/37/20/18/598372018.db2.gz SETMXJPPZHIAOR-UHFFFAOYSA-N -1 3 375.364 0.344 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@H]1c2ccccc2C[C@H]1O ZINC000738083910 598373264 /nfs/dbraw/zinc/37/32/64/598373264.db2.gz XBKKSPAMFXCCRO-CABCVRRESA-N -1 3 380.412 0.631 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@H]1c2ccccc2C[C@H]1O ZINC000738083910 598373267 /nfs/dbraw/zinc/37/32/67/598373267.db2.gz XBKKSPAMFXCCRO-CABCVRRESA-N -1 3 380.412 0.631 20 0 GCADHM CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735586360 598373724 /nfs/dbraw/zinc/37/37/24/598373724.db2.gz LVJWOADXRJOLBW-AWEZNQCLSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735586360 598373726 /nfs/dbraw/zinc/37/37/26/598373726.db2.gz LVJWOADXRJOLBW-AWEZNQCLSA-N -1 3 399.455 0.959 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000738253174 598374803 /nfs/dbraw/zinc/37/48/03/598374803.db2.gz ANOHQXUHCUXBEK-UHFFFAOYSA-N -1 3 379.380 0.566 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000738253174 598374805 /nfs/dbraw/zinc/37/48/05/598374805.db2.gz ANOHQXUHCUXBEK-UHFFFAOYSA-N -1 3 379.380 0.566 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000736820993 598375591 /nfs/dbraw/zinc/37/55/91/598375591.db2.gz SUMHVFMURJQMIG-UHFFFAOYSA-N -1 3 380.408 0.890 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000736820993 598375593 /nfs/dbraw/zinc/37/55/93/598375593.db2.gz SUMHVFMURJQMIG-UHFFFAOYSA-N -1 3 380.408 0.890 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000736186151 598376490 /nfs/dbraw/zinc/37/64/90/598376490.db2.gz XJTSBMHZFRYPMZ-IMJJTQAJSA-N -1 3 386.456 0.692 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736610232 598377489 /nfs/dbraw/zinc/37/74/89/598377489.db2.gz VIFZYGMTPWXDSO-KXPUMZMLSA-N -1 3 386.456 0.422 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736610232 598377490 /nfs/dbraw/zinc/37/74/90/598377490.db2.gz VIFZYGMTPWXDSO-KXPUMZMLSA-N -1 3 386.456 0.422 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737766635 598377806 /nfs/dbraw/zinc/37/78/06/598377806.db2.gz STMQDHSALPEDLB-UHFFFAOYSA-N -1 3 387.425 0.977 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737766635 598377808 /nfs/dbraw/zinc/37/78/08/598377808.db2.gz STMQDHSALPEDLB-UHFFFAOYSA-N -1 3 387.425 0.977 20 0 GCADHM CCn1c(=O)[nH]c2cc(C(=O)Nc3ccncc3-c3nnn[n-]3)ccc2c1=O ZINC000736714204 598379622 /nfs/dbraw/zinc/37/96/22/598379622.db2.gz URIHTUAAWMTPTL-UHFFFAOYSA-N -1 3 378.352 0.371 20 0 GCADHM CCn1c(=O)[nH]c2cc(C(=O)Nc3ccncc3-c3nn[n-]n3)ccc2c1=O ZINC000736714204 598379624 /nfs/dbraw/zinc/37/96/24/598379624.db2.gz URIHTUAAWMTPTL-UHFFFAOYSA-N -1 3 378.352 0.371 20 0 GCADHM O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccncc1-c1nnn[n-]1 ZINC000737989246 598379925 /nfs/dbraw/zinc/37/99/25/598379925.db2.gz VXTDNDOZCNTIKP-UHFFFAOYSA-N -1 3 388.347 0.778 20 0 GCADHM O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1ccncc1-c1nn[n-]n1 ZINC000737989246 598379926 /nfs/dbraw/zinc/37/99/26/598379926.db2.gz VXTDNDOZCNTIKP-UHFFFAOYSA-N -1 3 388.347 0.778 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000738195762 598380410 /nfs/dbraw/zinc/38/04/10/598380410.db2.gz RXRMFCBHKFCEFJ-UHFFFAOYSA-N -1 3 385.409 0.377 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000738195762 598380411 /nfs/dbraw/zinc/38/04/11/598380411.db2.gz RXRMFCBHKFCEFJ-UHFFFAOYSA-N -1 3 385.409 0.377 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(Cc2nccn2C)CC1 ZINC000735561179 598382708 /nfs/dbraw/zinc/38/27/08/598382708.db2.gz ITMPDMBRITYLFT-AWEZNQCLSA-N -1 3 395.471 0.745 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(Cc2nccn2C)CC1 ZINC000735561179 598382710 /nfs/dbraw/zinc/38/27/10/598382710.db2.gz ITMPDMBRITYLFT-AWEZNQCLSA-N -1 3 395.471 0.745 20 0 GCADHM Cc1nc(CN2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000737476089 598382939 /nfs/dbraw/zinc/38/29/39/598382939.db2.gz AVURNAFBYVTEFI-VOTSOKGWSA-N -1 3 380.412 0.916 20 0 GCADHM Cc1nc(CN2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000737476089 598382941 /nfs/dbraw/zinc/38/29/41/598382941.db2.gz AVURNAFBYVTEFI-VOTSOKGWSA-N -1 3 380.412 0.916 20 0 GCADHM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735835758 598383567 /nfs/dbraw/zinc/38/35/67/598383567.db2.gz MWUAQWRRXQPUBS-AWEZNQCLSA-N -1 3 389.485 0.952 20 0 GCADHM Cc1nc(CN2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737477922 598384503 /nfs/dbraw/zinc/38/45/03/598384503.db2.gz QFOJFBPISYSTCS-UHFFFAOYSA-N -1 3 383.416 0.314 20 0 GCADHM O=C(CN1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1)N1CCCC1 ZINC000737884405 598387292 /nfs/dbraw/zinc/38/72/92/598387292.db2.gz VSIKSRXEAVWQMF-UHFFFAOYSA-N -1 3 376.852 0.660 20 0 GCADHM O=C(CN1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1)N1CCCC1 ZINC000737884405 598387295 /nfs/dbraw/zinc/38/72/95/598387295.db2.gz VSIKSRXEAVWQMF-UHFFFAOYSA-N -1 3 376.852 0.660 20 0 GCADHM CCN(CC)C(=O)CN1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000736529073 598387409 /nfs/dbraw/zinc/38/74/09/598387409.db2.gz ILWWPQJWBLWHAT-UHFFFAOYSA-N -1 3 378.868 0.906 20 0 GCADHM CCN(CC)C(=O)CN1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000736529073 598387410 /nfs/dbraw/zinc/38/74/10/598387410.db2.gz ILWWPQJWBLWHAT-UHFFFAOYSA-N -1 3 378.868 0.906 20 0 GCADHM O=C(C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1)N1CCCC1 ZINC000737784706 598391999 /nfs/dbraw/zinc/39/19/99/598391999.db2.gz WQLMJIKXSHXVMH-UHFFFAOYSA-N -1 3 390.835 0.186 20 0 GCADHM O=C(C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1)N1CCCC1 ZINC000737784706 598392001 /nfs/dbraw/zinc/39/20/01/598392001.db2.gz WQLMJIKXSHXVMH-UHFFFAOYSA-N -1 3 390.835 0.186 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCOc1ccccc1F ZINC000737888451 598398761 /nfs/dbraw/zinc/39/87/61/598398761.db2.gz CLKSRKNWJWGYFM-UHFFFAOYSA-N -1 3 384.371 0.931 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCOc1ccccc1F ZINC000737888451 598398762 /nfs/dbraw/zinc/39/87/62/598398762.db2.gz CLKSRKNWJWGYFM-UHFFFAOYSA-N -1 3 384.371 0.931 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1ccc2c(c1)OCO2 ZINC000737888764 598399222 /nfs/dbraw/zinc/39/92/22/598399222.db2.gz FDUSLXUJWMUTRT-UHFFFAOYSA-N -1 3 394.391 0.684 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1ccc2c(c1)OCO2 ZINC000737888764 598399223 /nfs/dbraw/zinc/39/92/23/598399223.db2.gz FDUSLXUJWMUTRT-UHFFFAOYSA-N -1 3 394.391 0.684 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1cn2ccccc2n1 ZINC000737889598 598400260 /nfs/dbraw/zinc/40/02/60/598400260.db2.gz MFVYLMZZFAMMMJ-UHFFFAOYSA-N -1 3 376.380 0.561 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1cn2ccccc2n1 ZINC000737889598 598400262 /nfs/dbraw/zinc/40/02/62/598400262.db2.gz MFVYLMZZFAMMMJ-UHFFFAOYSA-N -1 3 376.380 0.561 20 0 GCADHM NC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737755208 598400267 /nfs/dbraw/zinc/40/02/67/598400267.db2.gz LFTROKWAZALPII-UHFFFAOYSA-N -1 3 380.368 0.726 20 0 GCADHM NC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737755208 598400269 /nfs/dbraw/zinc/40/02/69/598400269.db2.gz LFTROKWAZALPII-UHFFFAOYSA-N -1 3 380.368 0.726 20 0 GCADHM NC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737755824 598400603 /nfs/dbraw/zinc/40/06/03/598400603.db2.gz RIRHNLVRSRTUED-UHFFFAOYSA-N -1 3 380.368 0.726 20 0 GCADHM NC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737755824 598400604 /nfs/dbraw/zinc/40/06/04/598400604.db2.gz RIRHNLVRSRTUED-UHFFFAOYSA-N -1 3 380.368 0.726 20 0 GCADHM CNC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736883938 598401555 /nfs/dbraw/zinc/40/15/55/598401555.db2.gz ZCUQIYSGSKNZQK-UHFFFAOYSA-N -1 3 393.407 0.903 20 0 GCADHM CNC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736883938 598401556 /nfs/dbraw/zinc/40/15/56/598401556.db2.gz ZCUQIYSGSKNZQK-UHFFFAOYSA-N -1 3 393.407 0.903 20 0 GCADHM CCCC(=O)NC1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736410868 598402507 /nfs/dbraw/zinc/40/25/07/598402507.db2.gz HUVJNODVCAXMFK-UHFFFAOYSA-N -1 3 399.455 0.504 20 0 GCADHM CCCC(=O)NC1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736410868 598402509 /nfs/dbraw/zinc/40/25/09/598402509.db2.gz HUVJNODVCAXMFK-UHFFFAOYSA-N -1 3 399.455 0.504 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCC(=O)N1CCCCC1 ZINC000737888872 598403367 /nfs/dbraw/zinc/40/33/67/598403367.db2.gz HPLJJLOUAYECHP-UHFFFAOYSA-N -1 3 385.428 0.115 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCC(=O)N1CCCCC1 ZINC000737888872 598403368 /nfs/dbraw/zinc/40/33/68/598403368.db2.gz HPLJJLOUAYECHP-UHFFFAOYSA-N -1 3 385.428 0.115 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000737890209 598403993 /nfs/dbraw/zinc/40/39/93/598403993.db2.gz VZMQVWCKAHNKLT-HNNXBMFYSA-N -1 3 396.411 0.611 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000737890209 598403994 /nfs/dbraw/zinc/40/39/94/598403994.db2.gz VZMQVWCKAHNKLT-HNNXBMFYSA-N -1 3 396.411 0.611 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1cccc2c1OCO2 ZINC000737889113 598405409 /nfs/dbraw/zinc/40/54/09/598405409.db2.gz JZYUHGZXCRRVHV-UHFFFAOYSA-N -1 3 380.364 0.642 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1cccc2c1OCO2 ZINC000737889113 598405410 /nfs/dbraw/zinc/40/54/10/598405410.db2.gz JZYUHGZXCRRVHV-UHFFFAOYSA-N -1 3 380.364 0.642 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCn1cnc2ccccc21 ZINC000737889626 598405414 /nfs/dbraw/zinc/40/54/14/598405414.db2.gz NQAMKEXJTAMQOZ-UHFFFAOYSA-N -1 3 390.407 0.763 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCn1cnc2ccccc21 ZINC000737889626 598405417 /nfs/dbraw/zinc/40/54/17/598405417.db2.gz NQAMKEXJTAMQOZ-UHFFFAOYSA-N -1 3 390.407 0.763 20 0 GCADHM CC(C)(C)OC(=O)NCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735636080 598405826 /nfs/dbraw/zinc/40/58/26/598405826.db2.gz OIONANHSBNZVDV-UHFFFAOYSA-N -1 3 389.416 0.237 20 0 GCADHM CC(C)(C)OC(=O)NCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735636080 598405827 /nfs/dbraw/zinc/40/58/27/598405827.db2.gz OIONANHSBNZVDV-UHFFFAOYSA-N -1 3 389.416 0.237 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737760157 598406447 /nfs/dbraw/zinc/40/64/47/598406447.db2.gz GPAGLJUWUJAFFO-UHFFFAOYSA-N -1 3 393.407 0.054 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737760157 598406449 /nfs/dbraw/zinc/40/64/49/598406449.db2.gz GPAGLJUWUJAFFO-UHFFFAOYSA-N -1 3 393.407 0.054 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccc2c(c1)CCO2 ZINC000737889701 598406503 /nfs/dbraw/zinc/40/65/03/598406503.db2.gz PDGXUMIBUVVDAA-UHFFFAOYSA-N -1 3 378.392 0.848 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccc2c(c1)CCO2 ZINC000737889701 598406505 /nfs/dbraw/zinc/40/65/05/598406505.db2.gz PDGXUMIBUVVDAA-UHFFFAOYSA-N -1 3 378.392 0.848 20 0 GCADHM CCC(C)(C)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736311915 598409479 /nfs/dbraw/zinc/40/94/79/598409479.db2.gz BDMTWYOVACBZGR-LLVKDONJSA-N -1 3 388.428 0.833 20 0 GCADHM CCC(C)(C)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736311915 598409482 /nfs/dbraw/zinc/40/94/82/598409482.db2.gz BDMTWYOVACBZGR-LLVKDONJSA-N -1 3 388.428 0.833 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000735466685 598409505 /nfs/dbraw/zinc/40/95/05/598409505.db2.gz HTLKBPNRVBVPQZ-NOZJJQNGSA-N -1 3 390.425 0.658 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000735466685 598409507 /nfs/dbraw/zinc/40/95/07/598409507.db2.gz HTLKBPNRVBVPQZ-NOZJJQNGSA-N -1 3 390.425 0.658 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736306533 598409856 /nfs/dbraw/zinc/40/98/56/598409856.db2.gz ZBIMDDYOIZGKNM-GFCCVEGCSA-N -1 3 390.425 0.660 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736306533 598409859 /nfs/dbraw/zinc/40/98/59/598409859.db2.gz ZBIMDDYOIZGKNM-GFCCVEGCSA-N -1 3 390.425 0.660 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=S)NCCNS(C)(=O)=O ZINC000736634559 598416715 /nfs/dbraw/zinc/41/67/15/598416715.db2.gz LLMOIJLCDUIMEP-UHFFFAOYSA-N -1 3 385.475 0.101 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=S)NCCNS(C)(=O)=O ZINC000736634559 598416716 /nfs/dbraw/zinc/41/67/16/598416716.db2.gz LLMOIJLCDUIMEP-UHFFFAOYSA-N -1 3 385.475 0.101 20 0 GCADHM C[C@@H](CC(=O)NCCNc1ncccc1-c1nnn[n-]1)NC(=O)C1CCCC1 ZINC000735977550 598419583 /nfs/dbraw/zinc/41/95/83/598419583.db2.gz SWGCABQWRAWTMJ-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@@H](CC(=O)NCCNc1ncccc1-c1nn[n-]n1)NC(=O)C1CCCC1 ZINC000735977550 598419585 /nfs/dbraw/zinc/41/95/85/598419585.db2.gz SWGCABQWRAWTMJ-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N(C)CCN1CCOCC1 ZINC000737547503 598420053 /nfs/dbraw/zinc/42/00/53/598420053.db2.gz KDYSXFPVQDKCMA-UHFFFAOYSA-N -1 3 385.428 0.963 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H](C(N)=O)C(C)C ZINC000737031707 598424557 /nfs/dbraw/zinc/42/45/57/598424557.db2.gz BYCSLUONZTYKCI-HNNXBMFYSA-N -1 3 376.417 0.660 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H](C(N)=O)C(C)C ZINC000737031707 598424559 /nfs/dbraw/zinc/42/45/59/598424559.db2.gz BYCSLUONZTYKCI-HNNXBMFYSA-N -1 3 376.417 0.660 20 0 GCADHM O=S(=O)(NCc1nnnn1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738344236 598429197 /nfs/dbraw/zinc/42/91/97/598429197.db2.gz CTIMUDXRCYRGPO-UHFFFAOYSA-N -1 3 383.397 0.321 20 0 GCADHM O=S(=O)(NCc1nnnn1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738344236 598429199 /nfs/dbraw/zinc/42/91/99/598429199.db2.gz CTIMUDXRCYRGPO-UHFFFAOYSA-N -1 3 383.397 0.321 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NC[C@@H](O)COc1ccc(F)cc1 ZINC000737925422 598430695 /nfs/dbraw/zinc/43/06/95/598430695.db2.gz SMRCZPBZXYDJFH-CQSZACIVSA-N -1 3 387.371 0.941 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NC[C@@H](O)COc1ccc(F)cc1 ZINC000737925422 598430696 /nfs/dbraw/zinc/43/06/96/598430696.db2.gz SMRCZPBZXYDJFH-CQSZACIVSA-N -1 3 387.371 0.941 20 0 GCADHM CC(C)NC(=S)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735888522 598431087 /nfs/dbraw/zinc/43/10/87/598431087.db2.gz LXSDOLRTWMATPL-UHFFFAOYSA-N -1 3 395.514 0.456 20 0 GCADHM CC(C)NC(=S)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735888522 598431089 /nfs/dbraw/zinc/43/10/89/598431089.db2.gz LXSDOLRTWMATPL-UHFFFAOYSA-N -1 3 395.514 0.456 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)c(C)c1 ZINC000737098872 598431381 /nfs/dbraw/zinc/43/13/81/598431381.db2.gz GZBPXHZPSLEZIS-UHFFFAOYSA-N -1 3 396.411 0.746 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)c(C)c1 ZINC000737098872 598431383 /nfs/dbraw/zinc/43/13/83/598431383.db2.gz GZBPXHZPSLEZIS-UHFFFAOYSA-N -1 3 396.411 0.746 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)CC2 ZINC000737489528 598431513 /nfs/dbraw/zinc/43/15/13/598431513.db2.gz JKZMZBOJKLXZDY-LBPRGKRZSA-N -1 3 381.400 0.145 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CC2 ZINC000737489528 598431514 /nfs/dbraw/zinc/43/15/14/598431514.db2.gz JKZMZBOJKLXZDY-LBPRGKRZSA-N -1 3 381.400 0.145 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c(C)c1 ZINC000737100284 598431653 /nfs/dbraw/zinc/43/16/53/598431653.db2.gz VSKFJDXQCFYOCU-UHFFFAOYSA-N -1 3 396.411 0.746 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c(C)c1 ZINC000737100284 598431654 /nfs/dbraw/zinc/43/16/54/598431654.db2.gz VSKFJDXQCFYOCU-UHFFFAOYSA-N -1 3 396.411 0.746 20 0 GCADHM CC(C)NC(=O)CN(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735884669 598432091 /nfs/dbraw/zinc/43/20/91/598432091.db2.gz OGNOZXRXISYWDD-UHFFFAOYSA-N -1 3 383.416 0.231 20 0 GCADHM CC(C)NC(=O)CN(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735884669 598432093 /nfs/dbraw/zinc/43/20/93/598432093.db2.gz OGNOZXRXISYWDD-UHFFFAOYSA-N -1 3 383.416 0.231 20 0 GCADHM CN(CC(=O)OCc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccnc1 ZINC000736787841 598433327 /nfs/dbraw/zinc/43/33/27/598433327.db2.gz GHSFJGFLDPIKCQ-UHFFFAOYSA-N -1 3 388.409 0.626 20 0 GCADHM CN(CC(=O)OCc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccnc1 ZINC000736787841 598433328 /nfs/dbraw/zinc/43/33/28/598433328.db2.gz GHSFJGFLDPIKCQ-UHFFFAOYSA-N -1 3 388.409 0.626 20 0 GCADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCCCS(=O)(=O)NC)n1 ZINC000736604599 598434707 /nfs/dbraw/zinc/43/47/07/598434707.db2.gz ZIWXUCFVOVAPMO-UHFFFAOYSA-N -1 3 386.459 0.470 20 0 GCADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCCCS(=O)(=O)NC)n1 ZINC000736604599 598434708 /nfs/dbraw/zinc/43/47/08/598434708.db2.gz ZIWXUCFVOVAPMO-UHFFFAOYSA-N -1 3 386.459 0.470 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000737776662 598435096 /nfs/dbraw/zinc/43/50/96/598435096.db2.gz OLBUHCZDEASYKE-UHFFFAOYSA-N -1 3 396.411 0.614 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000737776662 598435098 /nfs/dbraw/zinc/43/50/98/598435098.db2.gz OLBUHCZDEASYKE-UHFFFAOYSA-N -1 3 396.411 0.614 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736328741 598435485 /nfs/dbraw/zinc/43/54/85/598435485.db2.gz YFSUIUGWVMUOAS-GHMZBOCLSA-N -1 3 397.443 0.668 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736328741 598435486 /nfs/dbraw/zinc/43/54/86/598435486.db2.gz YFSUIUGWVMUOAS-GHMZBOCLSA-N -1 3 397.443 0.668 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000738262049 598437783 /nfs/dbraw/zinc/43/77/83/598437783.db2.gz ZDOORUJYBVRTKH-UHFFFAOYSA-N -1 3 399.436 0.408 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000738262049 598437785 /nfs/dbraw/zinc/43/77/85/598437785.db2.gz ZDOORUJYBVRTKH-UHFFFAOYSA-N -1 3 399.436 0.408 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)NCC(=O)NC(C)C ZINC000737002660 598440108 /nfs/dbraw/zinc/44/01/08/598440108.db2.gz RJDCECOJFFWNHW-UHFFFAOYSA-N -1 3 391.501 0.714 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)NCC(=O)NC(C)C ZINC000737002660 598440110 /nfs/dbraw/zinc/44/01/10/598440110.db2.gz RJDCECOJFFWNHW-UHFFFAOYSA-N -1 3 391.501 0.714 20 0 GCADHM O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738268867 598442609 /nfs/dbraw/zinc/44/26/09/598442609.db2.gz UUPBJOWXOAPJEQ-UHFFFAOYSA-N -1 3 381.371 0.999 20 0 GCADHM O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738268867 598442611 /nfs/dbraw/zinc/44/26/11/598442611.db2.gz UUPBJOWXOAPJEQ-UHFFFAOYSA-N -1 3 381.371 0.999 20 0 GCADHM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738178958 598446460 /nfs/dbraw/zinc/44/64/60/598446460.db2.gz OFTZTBSVHOQOMB-UHFFFAOYSA-N -1 3 379.380 0.986 20 0 GCADHM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738178958 598446462 /nfs/dbraw/zinc/44/64/62/598446462.db2.gz OFTZTBSVHOQOMB-UHFFFAOYSA-N -1 3 379.380 0.986 20 0 GCADHM COCCOCCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737006176 598447081 /nfs/dbraw/zinc/44/70/81/598447081.db2.gz OVVQDJSAFXPTBA-UHFFFAOYSA-N -1 3 375.433 0.400 20 0 GCADHM COCCOCCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737006176 598447082 /nfs/dbraw/zinc/44/70/82/598447082.db2.gz OVVQDJSAFXPTBA-UHFFFAOYSA-N -1 3 375.433 0.400 20 0 GCADHM NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737746934 598447162 /nfs/dbraw/zinc/44/71/62/598447162.db2.gz UQXQIQQJTZZYPC-MRXNPFEDSA-N -1 3 392.423 0.964 20 0 GCADHM NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737746934 598447164 /nfs/dbraw/zinc/44/71/64/598447164.db2.gz UQXQIQQJTZZYPC-MRXNPFEDSA-N -1 3 392.423 0.964 20 0 GCADHM CCOCCOCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736623460 598447165 /nfs/dbraw/zinc/44/71/65/598447165.db2.gz HPQFXAVXGDXCEH-UHFFFAOYSA-N -1 3 375.433 0.400 20 0 GCADHM CCOCCOCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736623460 598447170 /nfs/dbraw/zinc/44/71/70/598447170.db2.gz HPQFXAVXGDXCEH-UHFFFAOYSA-N -1 3 375.433 0.400 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cnn2cccnc12 ZINC000738035115 598449504 /nfs/dbraw/zinc/44/95/04/598449504.db2.gz JLWRUUKBNMJBPE-UHFFFAOYSA-N -1 3 390.411 0.703 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cnn2cccnc12 ZINC000738035115 598449506 /nfs/dbraw/zinc/44/95/06/598449506.db2.gz JLWRUUKBNMJBPE-UHFFFAOYSA-N -1 3 390.411 0.703 20 0 GCADHM CC(C)OCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735902914 598451312 /nfs/dbraw/zinc/45/13/12/598451312.db2.gz ACXQNWIYGDBKMB-UHFFFAOYSA-N -1 3 380.474 0.598 20 0 GCADHM CC(C)OCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735902914 598451314 /nfs/dbraw/zinc/45/13/14/598451314.db2.gz ACXQNWIYGDBKMB-UHFFFAOYSA-N -1 3 380.474 0.598 20 0 GCADHM Cc1nnc(CN2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000737523612 598452699 /nfs/dbraw/zinc/45/26/99/598452699.db2.gz WPIACXQSMOAANP-UHFFFAOYSA-N -1 3 390.429 0.065 20 0 GCADHM Cc1nnc(CN2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000737523612 598452700 /nfs/dbraw/zinc/45/27/00/598452700.db2.gz WPIACXQSMOAANP-UHFFFAOYSA-N -1 3 390.429 0.065 20 0 GCADHM CC(C)(C)c1ccc(=O)n(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000735647787 598455955 /nfs/dbraw/zinc/45/59/55/598455955.db2.gz CDNQBZFXZNRVFT-UHFFFAOYSA-N -1 3 395.471 0.896 20 0 GCADHM CC(C)(C)c1ccc(=O)n(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000735647787 598455957 /nfs/dbraw/zinc/45/59/57/598455957.db2.gz CDNQBZFXZNRVFT-UHFFFAOYSA-N -1 3 395.471 0.896 20 0 GCADHM NC(=O)c1cc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c[nH]1 ZINC000737756654 598456269 /nfs/dbraw/zinc/45/62/69/598456269.db2.gz XWVHUPRDYVSNGZ-UHFFFAOYSA-N -1 3 381.400 0.088 20 0 GCADHM NC(=O)c1cc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c[nH]1 ZINC000737756654 598456270 /nfs/dbraw/zinc/45/62/70/598456270.db2.gz XWVHUPRDYVSNGZ-UHFFFAOYSA-N -1 3 381.400 0.088 20 0 GCADHM COC(=O)CSCCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736931160 598457590 /nfs/dbraw/zinc/45/75/90/598457590.db2.gz QSDDQYZVXRYXIW-UHFFFAOYSA-N -1 3 391.457 0.207 20 0 GCADHM COC(=O)CSCCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736931160 598457591 /nfs/dbraw/zinc/45/75/91/598457591.db2.gz QSDDQYZVXRYXIW-UHFFFAOYSA-N -1 3 391.457 0.207 20 0 GCADHM NS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc21 ZINC000737764144 598460985 /nfs/dbraw/zinc/46/09/85/598460985.db2.gz FJEQPCKTJRBCKU-UHFFFAOYSA-N -1 3 386.397 0.080 20 0 GCADHM NS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc21 ZINC000737764144 598460987 /nfs/dbraw/zinc/46/09/87/598460987.db2.gz FJEQPCKTJRBCKU-UHFFFAOYSA-N -1 3 386.397 0.080 20 0 GCADHM CCOCCN(CC)CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736617329 598467493 /nfs/dbraw/zinc/46/74/93/598467493.db2.gz CXANBPGZPWHFQM-UHFFFAOYSA-N -1 3 387.444 0.947 20 0 GCADHM CCOCCN(CC)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736619429 598467526 /nfs/dbraw/zinc/46/75/26/598467526.db2.gz OYOUEYLUSOVVRY-GOSISDBHSA-N -1 3 387.444 0.950 20 0 GCADHM CCOCCN(CC)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736619429 598467528 /nfs/dbraw/zinc/46/75/28/598467528.db2.gz OYOUEYLUSOVVRY-GOSISDBHSA-N -1 3 387.444 0.950 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1nnc([C@H]2CCCO2)o1 ZINC000737908914 598474025 /nfs/dbraw/zinc/47/40/25/598474025.db2.gz MEYYCPYHECCSRZ-LLVKDONJSA-N -1 3 385.340 0.897 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1nnc([C@H]2CCCO2)o1 ZINC000737908914 598474027 /nfs/dbraw/zinc/47/40/27/598474027.db2.gz MEYYCPYHECCSRZ-LLVKDONJSA-N -1 3 385.340 0.897 20 0 GCADHM O=C(COC(=O)Cc1ccc(-c2nnn[n-]2)cc1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000737904456 598474036 /nfs/dbraw/zinc/47/40/36/598474036.db2.gz MIOYKGSQUBHQNX-LBPRGKRZSA-N -1 3 399.367 0.826 20 0 GCADHM O=C(COC(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000737904456 598474038 /nfs/dbraw/zinc/47/40/38/598474038.db2.gz MIOYKGSQUBHQNX-LBPRGKRZSA-N -1 3 399.367 0.826 20 0 GCADHM COCCN1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C1 ZINC000737005530 598474168 /nfs/dbraw/zinc/47/41/68/598474168.db2.gz BVRUEFIZCZZZKZ-SECBINFHSA-N -1 3 379.446 0.140 20 0 GCADHM COCCN1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000737005530 598474169 /nfs/dbraw/zinc/47/41/69/598474169.db2.gz BVRUEFIZCZZZKZ-SECBINFHSA-N -1 3 379.446 0.140 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736910172 598474366 /nfs/dbraw/zinc/47/43/66/598474366.db2.gz NZPCHQJEIHEOAY-VHSXEESVSA-N -1 3 379.760 0.811 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736910172 598474368 /nfs/dbraw/zinc/47/43/68/598474368.db2.gz NZPCHQJEIHEOAY-VHSXEESVSA-N -1 3 379.760 0.811 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738042147 598474554 /nfs/dbraw/zinc/47/45/54/598474554.db2.gz VSAZPAGHOZRBCW-SNVBAGLBSA-N -1 3 376.323 0.710 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738042147 598474555 /nfs/dbraw/zinc/47/45/55/598474555.db2.gz VSAZPAGHOZRBCW-SNVBAGLBSA-N -1 3 376.323 0.710 20 0 GCADHM O=C(NCCn1ncnn1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823229018 607358151 /nfs/dbraw/zinc/35/81/51/607358151.db2.gz AMXGXLAMGLTNGJ-UHFFFAOYSA-N -1 3 381.356 0.455 20 0 GCADHM O=C(NC[C@H]1CCS(=O)(=O)C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738052238 598478696 /nfs/dbraw/zinc/47/86/96/598478696.db2.gz SGYLIJBFAWAKRR-CYBMUJFWSA-N -1 3 390.469 0.975 20 0 GCADHM O=C(NC[C@H]1CCS(=O)(=O)C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738052238 598478698 /nfs/dbraw/zinc/47/86/98/598478698.db2.gz SGYLIJBFAWAKRR-CYBMUJFWSA-N -1 3 390.469 0.975 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)N1CC(=O)Nc2ccccc21 ZINC000738302192 598479919 /nfs/dbraw/zinc/47/99/19/598479919.db2.gz HZRUOZBZTHEHFR-UHFFFAOYSA-N -1 3 379.336 0.404 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)N1CC(=O)Nc2ccccc21 ZINC000738302192 598479921 /nfs/dbraw/zinc/47/99/21/598479921.db2.gz HZRUOZBZTHEHFR-UHFFFAOYSA-N -1 3 379.336 0.404 20 0 GCADHM CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736595172 598482579 /nfs/dbraw/zinc/48/25/79/598482579.db2.gz VLEGGHFMOYPTRP-UHFFFAOYSA-N -1 3 388.384 0.220 20 0 GCADHM CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736595172 598482581 /nfs/dbraw/zinc/48/25/81/598482581.db2.gz VLEGGHFMOYPTRP-UHFFFAOYSA-N -1 3 388.384 0.220 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CCN1CCCS1(=O)=O ZINC000735661169 598488010 /nfs/dbraw/zinc/48/80/10/598488010.db2.gz RYVHXAJMCFHOOO-UHFFFAOYSA-N -1 3 381.462 0.787 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CCN1CCCS1(=O)=O ZINC000735661169 598488011 /nfs/dbraw/zinc/48/80/11/598488011.db2.gz RYVHXAJMCFHOOO-UHFFFAOYSA-N -1 3 381.462 0.787 20 0 GCADHM O=C(COc1ccccc1)NCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826418792 607358396 /nfs/dbraw/zinc/35/83/96/607358396.db2.gz WQBXUZMTYWUJNW-UHFFFAOYSA-N -1 3 395.375 0.788 20 0 GCADHM O=C(COc1ccccc1)NCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826418792 607358398 /nfs/dbraw/zinc/35/83/98/607358398.db2.gz WQBXUZMTYWUJNW-UHFFFAOYSA-N -1 3 395.375 0.788 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737745613 598505864 /nfs/dbraw/zinc/50/58/64/598505864.db2.gz QDTQUIJYCBBJBB-CYBMUJFWSA-N -1 3 384.421 0.720 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737745613 598505866 /nfs/dbraw/zinc/50/58/66/598505866.db2.gz QDTQUIJYCBBJBB-CYBMUJFWSA-N -1 3 384.421 0.720 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000736819609 598506438 /nfs/dbraw/zinc/50/64/38/598506438.db2.gz FSFRHAYNCIHSCL-UHFFFAOYSA-N -1 3 383.412 0.594 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000736819609 598506440 /nfs/dbraw/zinc/50/64/40/598506440.db2.gz FSFRHAYNCIHSCL-UHFFFAOYSA-N -1 3 383.412 0.594 20 0 GCADHM O=C(CN1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC000737885026 598508678 /nfs/dbraw/zinc/50/86/78/598508678.db2.gz ZRKKGSKRKWEISV-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM O=C(CN1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC000737885026 598508680 /nfs/dbraw/zinc/50/86/80/598508680.db2.gz ZRKKGSKRKWEISV-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1)N1CCOCC1 ZINC000737881525 598509062 /nfs/dbraw/zinc/50/90/62/598509062.db2.gz FPCPFDYRQUGNBV-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1)N1CCOCC1 ZINC000737881525 598509064 /nfs/dbraw/zinc/50/90/64/598509064.db2.gz FPCPFDYRQUGNBV-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM CCn1c(C)nnc1S(=O)(=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736719888 598515993 /nfs/dbraw/zinc/51/59/93/598515993.db2.gz DPARCZBVZWRRNW-UHFFFAOYSA-N -1 3 376.402 0.199 20 0 GCADHM CCn1c(C)nnc1S(=O)(=O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736719888 598515995 /nfs/dbraw/zinc/51/59/95/598515995.db2.gz DPARCZBVZWRRNW-UHFFFAOYSA-N -1 3 376.402 0.199 20 0 GCADHM O=C(NCCOCC1CC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738081701 598517219 /nfs/dbraw/zinc/51/72/19/598517219.db2.gz GJZBYNGLSGCMAY-UHFFFAOYSA-N -1 3 396.354 0.949 20 0 GCADHM O=C(NCCOCC1CC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738081701 598517220 /nfs/dbraw/zinc/51/72/20/598517220.db2.gz GJZBYNGLSGCMAY-UHFFFAOYSA-N -1 3 396.354 0.949 20 0 GCADHM CNC(=O)CCN(C)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736870407 598523898 /nfs/dbraw/zinc/52/38/98/598523898.db2.gz HKBARMIEKKLKKO-UHFFFAOYSA-N -1 3 383.416 0.059 20 0 GCADHM CNC(=O)CCN(C)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736870407 598523900 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COc1ccc(-c2nn[n-]n2)cc1NC(=O)COCC(=O)NCc1cccnc1 ZINC000737056943 598535980 /nfs/dbraw/zinc/53/59/80/598535980.db2.gz FAFCSYOMLQRXLM-UHFFFAOYSA-N -1 3 397.395 0.542 20 0 GCADHM CN(C(=O)COCC(=O)NCc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000736737645 598536331 /nfs/dbraw/zinc/53/63/31/598536331.db2.gz SIXRXVXSMUXXBE-UHFFFAOYSA-N -1 3 381.396 0.558 20 0 GCADHM CN(C(=O)COCC(=O)NCc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000736737645 598536333 /nfs/dbraw/zinc/53/63/33/598536333.db2.gz SIXRXVXSMUXXBE-UHFFFAOYSA-N -1 3 381.396 0.558 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000736504162 598547723 /nfs/dbraw/zinc/54/77/23/598547723.db2.gz ARWWMMXKEQDGDR-JTQLQIEISA-N -1 3 383.405 0.420 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000736504162 598547725 /nfs/dbraw/zinc/54/77/25/598547725.db2.gz ARWWMMXKEQDGDR-JTQLQIEISA-N -1 3 383.405 0.420 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCO1 ZINC000737748471 598550334 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KZDHOTVUMHEDEH-UHFFFAOYSA-N -1 3 398.514 0.722 20 0 GCADHM CN(CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)CCS(C)(=O)=O ZINC000736792177 598552565 /nfs/dbraw/zinc/55/25/65/598552565.db2.gz KZDHOTVUMHEDEH-UHFFFAOYSA-N -1 3 398.514 0.722 20 0 GCADHM CN1CCN(C(=O)CC2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC000736857895 598556539 /nfs/dbraw/zinc/55/65/39/598556539.db2.gz UVQBNHTYCXWADN-UHFFFAOYSA-N -1 3 397.483 0.883 20 0 GCADHM CN1CCN(C(=O)CC2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000736857895 598556540 /nfs/dbraw/zinc/55/65/40/598556540.db2.gz UVQBNHTYCXWADN-UHFFFAOYSA-N -1 3 397.483 0.883 20 0 GCADHM CCCC(=O)N1CCCC[C@@H]1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736411565 598557443 /nfs/dbraw/zinc/55/74/43/598557443.db2.gz KOWCCKYCABUCTQ-CQSZACIVSA-N -1 3 386.460 0.971 20 0 GCADHM CCCC(=O)N1CCCC[C@@H]1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736411565 598557444 /nfs/dbraw/zinc/55/74/44/598557444.db2.gz KOWCCKYCABUCTQ-CQSZACIVSA-N -1 3 386.460 0.971 20 0 GCADHM O=C(COC(=O)COc1cccc(-c2nnn[n-]2)c1)NCC(=O)c1ccccc1 ZINC000737904451 598558165 /nfs/dbraw/zinc/55/81/65/598558165.db2.gz MFLZJIXHTBPQEX-UHFFFAOYSA-N -1 3 395.375 0.788 20 0 GCADHM O=C(COC(=O)COc1cccc(-c2nn[n-]n2)c1)NCC(=O)c1ccccc1 ZINC000737904451 598558166 /nfs/dbraw/zinc/55/81/66/598558166.db2.gz MFLZJIXHTBPQEX-UHFFFAOYSA-N -1 3 395.375 0.788 20 0 GCADHM Cc1c(C(=O)n2ncc(-c3nnn[n-]3)c2N)nnn1-c1cccc2ncccc21 ZINC000737208811 598561956 /nfs/dbraw/zinc/56/19/56/598561956.db2.gz HCUDGZZCDZGJRF-UHFFFAOYSA-N -1 3 387.367 0.771 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000738139220 598564693 /nfs/dbraw/zinc/56/46/93/598564693.db2.gz MSJQSHGXYKNSHG-ZJUUUORDSA-N -1 3 396.354 0.826 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000738139220 598564695 /nfs/dbraw/zinc/56/46/95/598564695.db2.gz MSJQSHGXYKNSHG-ZJUUUORDSA-N -1 3 396.354 0.826 20 0 GCADHM COCC[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736977179 598565478 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Cc1c(C(=O)n2ncc(-c3nnn[n-]3)c2N)nnn1-c1cccc2cccnc21 ZINC000737209455 598568428 /nfs/dbraw/zinc/56/84/28/598568428.db2.gz QEQOWABYLIRTLK-UHFFFAOYSA-N -1 3 387.367 0.771 20 0 GCADHM C[C@@H](COC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824440706 607361609 /nfs/dbraw/zinc/36/16/09/607361609.db2.gz IXARGXQSRUKHBE-QMMMGPOBSA-N -1 3 393.347 0.887 20 0 GCADHM C[C@@H](COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824440706 607361611 /nfs/dbraw/zinc/36/16/11/607361611.db2.gz IXARGXQSRUKHBE-QMMMGPOBSA-N -1 3 393.347 0.887 20 0 GCADHM O=C(NCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000738076228 598577734 /nfs/dbraw/zinc/57/77/34/598577734.db2.gz WDCPEWBZHVFZSS-HNNXBMFYSA-N -1 3 395.423 0.975 20 0 GCADHM CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736658815 598579575 /nfs/dbraw/zinc/57/95/75/598579575.db2.gz JMELTPLXBSRNCE-AWEZNQCLSA-N -1 3 378.458 0.386 20 0 GCADHM Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCN1c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737490780 598579968 /nfs/dbraw/zinc/57/99/68/598579968.db2.gz WYZHYUWCXZGYAM-GDBMZVCRSA-N -1 3 393.455 0.867 20 0 GCADHM CCNS(=O)(=O)CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736577436 598586339 /nfs/dbraw/zinc/58/63/39/598586339.db2.gz HZKJAKJQHYFWAY-UHFFFAOYSA-N -1 3 389.894 0.746 20 0 GCADHM CCNS(=O)(=O)CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736577436 598586341 /nfs/dbraw/zinc/58/63/41/598586341.db2.gz HZKJAKJQHYFWAY-UHFFFAOYSA-N -1 3 389.894 0.746 20 0 GCADHM Cn1c(=O)c2cc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cnc2n(C)c1=O ZINC000737588006 598588076 /nfs/dbraw/zinc/58/80/76/598588076.db2.gz BTFBIZHRSVLKNZ-UHFFFAOYSA-N -1 3 396.342 0.204 20 0 GCADHM Cn1c(=O)c2cc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cnc2n(C)c1=O ZINC000737588006 598588078 /nfs/dbraw/zinc/58/80/78/598588078.db2.gz BTFBIZHRSVLKNZ-UHFFFAOYSA-N -1 3 396.342 0.204 20 0 GCADHM Cc1nc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC000737468247 598589526 /nfs/dbraw/zinc/58/95/26/598589526.db2.gz QXAKIFIUHKXNDC-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM Cc1nc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC000737468247 598589528 /nfs/dbraw/zinc/58/95/28/598589528.db2.gz QXAKIFIUHKXNDC-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM COc1cc(C=O)ccc1OCC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737045240 598589820 /nfs/dbraw/zinc/58/98/20/598589820.db2.gz ZDFUXMNNYSDMAT-UHFFFAOYSA-N -1 3 397.395 0.690 20 0 GCADHM COc1cc(C=O)ccc1OCC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737045240 598589822 /nfs/dbraw/zinc/58/98/22/598589822.db2.gz ZDFUXMNNYSDMAT-UHFFFAOYSA-N -1 3 397.395 0.690 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736578619 598590644 /nfs/dbraw/zinc/59/06/44/598590644.db2.gz WQMIZCPIMRKTLJ-CQSZACIVSA-N -1 3 396.473 0.326 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736578619 598590645 /nfs/dbraw/zinc/59/06/45/598590645.db2.gz WQMIZCPIMRKTLJ-CQSZACIVSA-N -1 3 396.473 0.326 20 0 GCADHM NC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737758530 598595420 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GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCCNC(=O)c1ccccc1 ZINC000737770106 598604922 /nfs/dbraw/zinc/60/49/22/598604922.db2.gz IFRICCFLANQANJ-UHFFFAOYSA-N -1 3 384.400 0.399 20 0 GCADHM Cn1cc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC000737611402 598605225 /nfs/dbraw/zinc/60/52/25/598605225.db2.gz WCWODCXXSLQTCV-AWEZNQCLSA-N -1 3 380.412 0.912 20 0 GCADHM COc1cccc(CCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1OC ZINC000737130931 598605511 /nfs/dbraw/zinc/60/55/11/598605511.db2.gz JCYHMJRHWRYACK-UHFFFAOYSA-N -1 3 387.400 0.839 20 0 GCADHM COc1cccc(CCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1OC ZINC000737130931 598605512 /nfs/dbraw/zinc/60/55/12/598605512.db2.gz JCYHMJRHWRYACK-UHFFFAOYSA-N -1 3 387.400 0.839 20 0 GCADHM CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735760006 598607514 /nfs/dbraw/zinc/60/75/14/598607514.db2.gz ZAQDGJQFNFOOFU-UHFFFAOYSA-N -1 3 378.458 0.746 20 0 GCADHM CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735760006 598607516 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O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737877630 598617414 /nfs/dbraw/zinc/61/74/14/598617414.db2.gz KEAWWBZIJSRVAM-UHFFFAOYSA-N -1 3 396.392 0.404 20 0 GCADHM O=C(CCN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737840032 598618322 /nfs/dbraw/zinc/61/83/22/598618322.db2.gz YNXOBSHHPBKPBC-CYBMUJFWSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CCN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737840032 598618323 /nfs/dbraw/zinc/61/83/23/598618323.db2.gz YNXOBSHHPBKPBC-CYBMUJFWSA-N -1 3 390.469 0.847 20 0 GCADHM O=S1(=O)CC[C@@H](N(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000738358048 598619203 /nfs/dbraw/zinc/61/92/03/598619203.db2.gz UTDMFEPUJHLJRQ-CABCVRRESA-N -1 3 393.469 0.258 20 0 GCADHM COC(=O)CN(CCOc1cccc(-c2nnn[n-]2)c1)CCN1CCOCC1 ZINC000736921693 598620376 /nfs/dbraw/zinc/62/03/76/598620376.db2.gz DTOKHDNUSRYKFN-UHFFFAOYSA-N -1 3 390.444 0.053 20 0 GCADHM COC(=O)CN(CCOc1cccc(-c2nn[n-]n2)c1)CCN1CCOCC1 ZINC000736921693 598620377 /nfs/dbraw/zinc/62/03/77/598620377.db2.gz DTOKHDNUSRYKFN-UHFFFAOYSA-N -1 3 390.444 0.053 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736166487 598622656 /nfs/dbraw/zinc/62/26/56/598622656.db2.gz APKHUYSOPZNQLN-VXGBXAGGSA-N -1 3 394.457 0.161 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000736166484 598623004 /nfs/dbraw/zinc/62/30/04/598623004.db2.gz APKHUYSOPZNQLN-NEPJUHHUSA-N -1 3 394.457 0.161 20 0 GCADHM Cn1c2ccccc2n(CC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1=O ZINC000826354612 607361141 /nfs/dbraw/zinc/36/11/41/607361141.db2.gz MWMOBXJPVKRCOP-UHFFFAOYSA-N -1 3 392.375 0.946 20 0 GCADHM Cn1c2ccccc2n(CC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1=O ZINC000826354612 607361142 /nfs/dbraw/zinc/36/11/42/607361142.db2.gz MWMOBXJPVKRCOP-UHFFFAOYSA-N -1 3 392.375 0.946 20 0 GCADHM CNC(=O)CN1CCC(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736872868 598624615 /nfs/dbraw/zinc/62/46/15/598624615.db2.gz BVQHLKJRAJXUHI-UHFFFAOYSA-N -1 3 376.396 0.338 20 0 GCADHM CNC(=O)CN1CCC(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736872868 598624617 /nfs/dbraw/zinc/62/46/17/598624617.db2.gz BVQHLKJRAJXUHI-UHFFFAOYSA-N -1 3 376.396 0.338 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCCC[S@@](C)=O ZINC000737032258 598624831 /nfs/dbraw/zinc/62/48/31/598624831.db2.gz HHAAWASNTMJMLO-AREMUKBSSA-N -1 3 381.458 0.919 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCCC[S@@](C)=O ZINC000737032258 598624832 /nfs/dbraw/zinc/62/48/32/598624832.db2.gz HHAAWASNTMJMLO-AREMUKBSSA-N -1 3 381.458 0.919 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000738164017 598625078 /nfs/dbraw/zinc/62/50/78/598625078.db2.gz WMRYCGQYPQQCJE-AWEZNQCLSA-N -1 3 389.391 0.861 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000738164017 598625079 /nfs/dbraw/zinc/62/50/79/598625079.db2.gz WMRYCGQYPQQCJE-AWEZNQCLSA-N -1 3 389.391 0.861 20 0 GCADHM CNS(=O)(=O)C1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000736882648 598627042 /nfs/dbraw/zinc/62/70/42/598627042.db2.gz MXSRFGIIKWPQBW-UHFFFAOYSA-N -1 3 397.461 0.029 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H]2COc3ccccc3O2)c(-c2nnn[n-]2)c1 ZINC000737769855 598629840 /nfs/dbraw/zinc/62/98/40/598629840.db2.gz PDMHPENYCJZFNZ-SNVBAGLBSA-N -1 3 388.409 0.766 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H]2COc3ccccc3O2)c(-c2nn[n-]n2)c1 ZINC000737769855 598629842 /nfs/dbraw/zinc/62/98/42/598629842.db2.gz PDMHPENYCJZFNZ-SNVBAGLBSA-N -1 3 388.409 0.766 20 0 GCADHM CS(=O)(=O)N1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737165461 598631127 /nfs/dbraw/zinc/63/11/27/598631127.db2.gz KNUKYOMDRXHYCU-UHFFFAOYSA-N -1 3 383.409 0.505 20 0 GCADHM CS(=O)(=O)N1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737165461 598631128 /nfs/dbraw/zinc/63/11/28/598631128.db2.gz KNUKYOMDRXHYCU-UHFFFAOYSA-N -1 3 383.409 0.505 20 0 GCADHM COCC(=O)NC1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736966132 598631322 /nfs/dbraw/zinc/63/13/22/598631322.db2.gz LGXKFIWWRDQDDS-UHFFFAOYSA-N -1 3 377.380 0.765 20 0 GCADHM COCC(=O)NC1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736966132 598631324 /nfs/dbraw/zinc/63/13/24/598631324.db2.gz LGXKFIWWRDQDDS-UHFFFAOYSA-N -1 3 377.380 0.765 20 0 GCADHM CC1(C)COCCN1CCNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736213175 598633408 /nfs/dbraw/zinc/63/34/08/598633408.db2.gz DPJROQLIQUCUNX-UHFFFAOYSA-N -1 3 389.464 0.084 20 0 GCADHM CC1(C)COCCN1CCNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736213175 598633410 /nfs/dbraw/zinc/63/34/10/598633410.db2.gz DPJROQLIQUCUNX-UHFFFAOYSA-N -1 3 389.464 0.084 20 0 GCADHM O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738065432 598636113 /nfs/dbraw/zinc/63/61/13/598636113.db2.gz KGIPAXKMSNFRKZ-UHFFFAOYSA-N -1 3 375.364 0.073 20 0 GCADHM O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738065432 598636115 /nfs/dbraw/zinc/63/61/15/598636115.db2.gz KGIPAXKMSNFRKZ-UHFFFAOYSA-N -1 3 375.364 0.073 20 0 GCADHM O=C(NCc1cn2ccsc2n1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738124460 598636318 /nfs/dbraw/zinc/63/63/18/598636318.db2.gz ODWSSTQEPZKZLA-UHFFFAOYSA-N -1 3 386.372 0.970 20 0 GCADHM CCOC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736594488 598637177 /nfs/dbraw/zinc/63/71/77/598637177.db2.gz RHGALHKQRZDCTQ-UHFFFAOYSA-N -1 3 390.375 0.746 20 0 GCADHM CCOC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736594488 598637179 /nfs/dbraw/zinc/63/71/79/598637179.db2.gz RHGALHKQRZDCTQ-UHFFFAOYSA-N -1 3 390.375 0.746 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736982197 598639042 /nfs/dbraw/zinc/63/90/42/598639042.db2.gz RNWLCRVUSGTIET-UHFFFAOYSA-N -1 3 380.380 0.456 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736982197 598639044 /nfs/dbraw/zinc/63/90/44/598639044.db2.gz RNWLCRVUSGTIET-UHFFFAOYSA-N -1 3 380.380 0.456 20 0 GCADHM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735476339 598639495 /nfs/dbraw/zinc/63/94/95/598639495.db2.gz YAOFWGGEXGSYHV-LLVKDONJSA-N -1 3 389.391 0.319 20 0 GCADHM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735476339 598639496 /nfs/dbraw/zinc/63/94/96/598639496.db2.gz YAOFWGGEXGSYHV-LLVKDONJSA-N -1 3 389.391 0.319 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736325468 598639530 /nfs/dbraw/zinc/63/95/30/598639530.db2.gz JZKNQGPSCACYQI-DTWKUNHWSA-N -1 3 377.380 0.364 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736325468 598639531 /nfs/dbraw/zinc/63/95/31/598639531.db2.gz JZKNQGPSCACYQI-DTWKUNHWSA-N -1 3 377.380 0.364 20 0 GCADHM CC(=O)NCC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735474124 598639742 /nfs/dbraw/zinc/63/97/42/598639742.db2.gz HPWHDEYQUIYSDJ-UHFFFAOYSA-N -1 3 389.391 0.319 20 0 GCADHM CC(=O)NCC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735474124 598639745 /nfs/dbraw/zinc/63/97/45/598639745.db2.gz HPWHDEYQUIYSDJ-UHFFFAOYSA-N -1 3 389.391 0.319 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736325469 598639749 /nfs/dbraw/zinc/63/97/49/598639749.db2.gz JZKNQGPSCACYQI-IUCAKERBSA-N -1 3 377.380 0.364 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736325469 598639750 /nfs/dbraw/zinc/63/97/50/598639750.db2.gz JZKNQGPSCACYQI-IUCAKERBSA-N -1 3 377.380 0.364 20 0 GCADHM OC[C@H]1CCCN(c2cc(NCCNc3ccc(-c4nn[n-]n4)cn3)ncn2)C1 ZINC000738393017 598640077 /nfs/dbraw/zinc/64/00/77/598640077.db2.gz HQUDXLOLHYQQSD-ZDUSSCGKSA-N -1 3 396.459 0.784 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000738162832 598640571 /nfs/dbraw/zinc/64/05/71/598640571.db2.gz NNEGRGMQLDVRSB-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000738162832 598640573 /nfs/dbraw/zinc/64/05/73/598640573.db2.gz NNEGRGMQLDVRSB-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(NCc1cn2c(n1)CCCC2)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738124760 598640903 /nfs/dbraw/zinc/64/09/03/598640903.db2.gz QTINNUYZKKUGGH-UHFFFAOYSA-N -1 3 384.375 0.794 20 0 GCADHM O=C(NCc1cn2c(n1)CCCC2)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738124760 598640904 /nfs/dbraw/zinc/64/09/04/598640904.db2.gz QTINNUYZKKUGGH-UHFFFAOYSA-N -1 3 384.375 0.794 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000738305516 598647226 /nfs/dbraw/zinc/64/72/26/598647226.db2.gz UARBLXSUZFUSLU-UHFFFAOYSA-N -1 3 375.414 0.687 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000738305516 598647227 /nfs/dbraw/zinc/64/72/27/598647227.db2.gz UARBLXSUZFUSLU-UHFFFAOYSA-N -1 3 375.414 0.687 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000737832288 598650590 /nfs/dbraw/zinc/65/05/90/598650590.db2.gz IUDIBDIVYSKTLR-ZDUSSCGKSA-N -1 3 393.469 0.967 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000737832288 598650591 /nfs/dbraw/zinc/65/05/91/598650591.db2.gz IUDIBDIVYSKTLR-ZDUSSCGKSA-N -1 3 393.469 0.967 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000737941442 598655828 /nfs/dbraw/zinc/65/58/28/598655828.db2.gz AWUDSIAPYFCTFU-UHFFFAOYSA-N -1 3 387.469 0.975 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000737941442 598655830 /nfs/dbraw/zinc/65/58/30/598655830.db2.gz AWUDSIAPYFCTFU-UHFFFAOYSA-N -1 3 387.469 0.975 20 0 GCADHM CCS(=O)(=O)NCCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736663426 598656476 /nfs/dbraw/zinc/65/64/76/598656476.db2.gz FIDHPNHSLURODV-UHFFFAOYSA-N -1 3 396.473 0.471 20 0 GCADHM CCS(=O)(=O)NCCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736663426 598656477 /nfs/dbraw/zinc/65/64/77/598656477.db2.gz FIDHPNHSLURODV-UHFFFAOYSA-N -1 3 396.473 0.471 20 0 GCADHM CCn1nc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)ccc1=O ZINC000736722203 598656488 /nfs/dbraw/zinc/65/64/88/598656488.db2.gz MUMONYWXRVLWIT-UHFFFAOYSA-N -1 3 398.402 0.545 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736747074 598658387 /nfs/dbraw/zinc/65/83/87/598658387.db2.gz NDVRUTMKTLBQSN-UHFFFAOYSA-N -1 3 386.441 0.882 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736747074 598658388 /nfs/dbraw/zinc/65/83/88/598658388.db2.gz NDVRUTMKTLBQSN-UHFFFAOYSA-N -1 3 386.441 0.882 20 0 GCADHM NC(=O)[C@H]1CC(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)=NN1c1ccc(F)cc1 ZINC000737737349 598662110 /nfs/dbraw/zinc/66/21/10/598662110.db2.gz CESNLWZOIIAJNF-CYBMUJFWSA-N -1 3 395.358 0.460 20 0 GCADHM NC(=O)[C@H]1CC(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)=NN1c1ccc(F)cc1 ZINC000737737349 598662113 /nfs/dbraw/zinc/66/21/13/598662113.db2.gz CESNLWZOIIAJNF-CYBMUJFWSA-N -1 3 395.358 0.460 20 0 GCADHM NC(=O)CCNC(=O)c1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737747504 598662390 /nfs/dbraw/zinc/66/23/90/598662390.db2.gz NRYXKWLKRNEBPD-UHFFFAOYSA-N -1 3 393.407 0.653 20 0 GCADHM NC(=O)CCNC(=O)c1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737747504 598662391 /nfs/dbraw/zinc/66/23/91/598662391.db2.gz NRYXKWLKRNEBPD-UHFFFAOYSA-N -1 3 393.407 0.653 20 0 GCADHM CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1=O ZINC000736713100 598662918 /nfs/dbraw/zinc/66/29/18/598662918.db2.gz MHUVASBOBWSCEV-UHFFFAOYSA-N -1 3 392.379 0.397 20 0 GCADHM CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1=O ZINC000736713100 598662920 /nfs/dbraw/zinc/66/29/20/598662920.db2.gz MHUVASBOBWSCEV-UHFFFAOYSA-N -1 3 392.379 0.397 20 0 GCADHM CCCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000821087580 607363794 /nfs/dbraw/zinc/36/37/94/607363794.db2.gz DDVUQGTZTCODEB-LBPRGKRZSA-N -1 3 396.473 0.914 20 0 GCADHM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736463899 598663607 /nfs/dbraw/zinc/66/36/07/598663607.db2.gz SAWMJGYQLABGDW-GFCCVEGCSA-N -1 3 379.446 0.795 20 0 GCADHM CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736463899 598663609 /nfs/dbraw/zinc/66/36/09/598663609.db2.gz SAWMJGYQLABGDW-GFCCVEGCSA-N -1 3 379.446 0.795 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CCO1 ZINC000736911592 598670222 /nfs/dbraw/zinc/67/02/22/598670222.db2.gz GOQVPGAYYAUTCX-LSDHHAIUSA-N -1 3 389.412 0.671 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CCO1 ZINC000736911592 598670224 /nfs/dbraw/zinc/67/02/24/598670224.db2.gz GOQVPGAYYAUTCX-LSDHHAIUSA-N -1 3 389.412 0.671 20 0 GCADHM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738086409 598671508 /nfs/dbraw/zinc/67/15/08/598671508.db2.gz YDQWVXCUBVZENI-AWEZNQCLSA-N -1 3 394.457 0.085 20 0 GCADHM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738086409 598671511 /nfs/dbraw/zinc/67/15/11/598671511.db2.gz YDQWVXCUBVZENI-AWEZNQCLSA-N -1 3 394.457 0.085 20 0 GCADHM Cn1ncc2c1nc(N1CCCN(c3ccccc3-c3nnn[n-]3)CC1)[nH]c2=O ZINC000737623130 598672043 /nfs/dbraw/zinc/67/20/43/598672043.db2.gz PWMOBWZYKJTCKA-UHFFFAOYSA-N -1 3 392.427 0.966 20 0 GCADHM Cn1ncc2c1nc(N1CCCN(c3ccccc3-c3nn[n-]n3)CC1)[nH]c2=O ZINC000737623130 598672045 /nfs/dbraw/zinc/67/20/45/598672045.db2.gz PWMOBWZYKJTCKA-UHFFFAOYSA-N -1 3 392.427 0.966 20 0 GCADHM Cn1ncc2c1nc(N1CCN(c3ccccc3-c3nnn[n-]3)CC1)[nH]c2=O ZINC000737620728 598672173 /nfs/dbraw/zinc/67/21/73/598672173.db2.gz AVRVPLGJHQPKEU-UHFFFAOYSA-N -1 3 378.400 0.576 20 0 GCADHM Cn1ncc2c1nc(N1CCN(c3ccccc3-c3nn[n-]n3)CC1)[nH]c2=O ZINC000737620728 598672175 /nfs/dbraw/zinc/67/21/75/598672175.db2.gz AVRVPLGJHQPKEU-UHFFFAOYSA-N -1 3 378.400 0.576 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826090937 607364170 /nfs/dbraw/zinc/36/41/70/607364170.db2.gz RCLQGWXDCOINMC-UHFFFAOYSA-N -1 3 390.381 0.143 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826090937 607364171 /nfs/dbraw/zinc/36/41/71/607364171.db2.gz RCLQGWXDCOINMC-UHFFFAOYSA-N -1 3 390.381 0.143 20 0 GCADHM O=C(COC(=O)c1sccc1-n1cnnn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416449 607364415 /nfs/dbraw/zinc/36/44/15/607364415.db2.gz AAOIAFVSCDEZFM-UHFFFAOYSA-N -1 3 382.365 0.944 20 0 GCADHM O=C(COC(=O)c1sccc1-n1cnnn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416449 607364417 /nfs/dbraw/zinc/36/44/17/607364417.db2.gz AAOIAFVSCDEZFM-UHFFFAOYSA-N -1 3 382.365 0.944 20 0 GCADHM NS(=O)(=O)CCCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737765146 598685290 /nfs/dbraw/zinc/68/52/90/598685290.db2.gz NOBWOXHLECWSOJ-UHFFFAOYSA-N -1 3 382.446 0.211 20 0 GCADHM NS(=O)(=O)CCCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737765146 598685291 /nfs/dbraw/zinc/68/52/91/598685291.db2.gz NOBWOXHLECWSOJ-UHFFFAOYSA-N -1 3 382.446 0.211 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)[C@H]1CCCN1c1nccs1 ZINC000738077609 598685877 /nfs/dbraw/zinc/68/58/77/598685877.db2.gz HDURLAAYNYMZDX-GFCCVEGCSA-N -1 3 385.457 0.915 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)[C@H]1CCCN1c1nccs1 ZINC000738077609 598685879 /nfs/dbraw/zinc/68/58/79/598685879.db2.gz HDURLAAYNYMZDX-GFCCVEGCSA-N -1 3 385.457 0.915 20 0 GCADHM CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735811319 598686013 /nfs/dbraw/zinc/68/60/13/598686013.db2.gz HCJCOFVTPFJLAY-ZDUSSCGKSA-N -1 3 375.458 0.939 20 0 GCADHM CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735811319 598686016 /nfs/dbraw/zinc/68/60/16/598686016.db2.gz HCJCOFVTPFJLAY-ZDUSSCGKSA-N -1 3 375.458 0.939 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCO1 ZINC000737746323 598687493 /nfs/dbraw/zinc/68/74/93/598687493.db2.gz ROWFZAIPUJIONZ-CQSZACIVSA-N -1 3 395.379 0.380 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCO1 ZINC000737746323 598687494 /nfs/dbraw/zinc/68/74/94/598687494.db2.gz ROWFZAIPUJIONZ-CQSZACIVSA-N -1 3 395.379 0.380 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC000738076637 598688953 /nfs/dbraw/zinc/68/89/53/598688953.db2.gz YSZHYAJDOXNZSR-UHFFFAOYSA-N -1 3 380.361 0.307 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC000738076637 598688955 /nfs/dbraw/zinc/68/89/55/598688955.db2.gz YSZHYAJDOXNZSR-UHFFFAOYSA-N -1 3 380.361 0.307 20 0 GCADHM CC(C)CN1CCO[C@H](CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735835079 598689421 /nfs/dbraw/zinc/68/94/21/598689421.db2.gz DOTKHTFXNPWFJT-GFCCVEGCSA-N -1 3 398.464 0.641 20 0 GCADHM CC(C)CN1CCO[C@H](CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735835079 598689423 /nfs/dbraw/zinc/68/94/23/598689423.db2.gz DOTKHTFXNPWFJT-GFCCVEGCSA-N -1 3 398.464 0.641 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NS(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000737500793 598690548 /nfs/dbraw/zinc/69/05/48/598690548.db2.gz PXONMARBFHLKTF-NSHDSACASA-N -1 3 389.416 0.940 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000737500793 598690549 /nfs/dbraw/zinc/69/05/49/598690549.db2.gz PXONMARBFHLKTF-NSHDSACASA-N -1 3 389.416 0.940 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC000738032613 598690682 /nfs/dbraw/zinc/69/06/82/598690682.db2.gz PEBOTBRWARFOQS-UHFFFAOYSA-N -1 3 394.432 0.685 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000737533206 598693651 /nfs/dbraw/zinc/69/36/51/598693651.db2.gz DYJRDGMZAQVRME-GFCCVEGCSA-N -1 3 398.427 0.842 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000737533206 598693652 /nfs/dbraw/zinc/69/36/52/598693652.db2.gz DYJRDGMZAQVRME-GFCCVEGCSA-N -1 3 398.427 0.842 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(C2OCCO2)CC1 ZINC000738355242 598694579 /nfs/dbraw/zinc/69/45/79/598694579.db2.gz LMCGOMBPVFCOSY-UHFFFAOYSA-N -1 3 383.405 0.779 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000737924368 598695225 /nfs/dbraw/zinc/69/52/25/598695225.db2.gz CEXWAZCYMUNCNY-OAHLLOKOSA-N -1 3 386.456 0.959 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000737924368 598695226 /nfs/dbraw/zinc/69/52/26/598695226.db2.gz CEXWAZCYMUNCNY-OAHLLOKOSA-N -1 3 386.456 0.959 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000737023526 598697354 /nfs/dbraw/zinc/69/73/54/598697354.db2.gz LUKZWCSZSZKRRY-CQSZACIVSA-N -1 3 399.411 0.378 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000737023526 598697356 /nfs/dbraw/zinc/69/73/56/598697356.db2.gz LUKZWCSZSZKRRY-CQSZACIVSA-N -1 3 399.411 0.378 20 0 GCADHM CC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735457686 598699214 /nfs/dbraw/zinc/69/92/14/598699214.db2.gz BNVQFVDNHZFPCA-UHFFFAOYSA-N -1 3 392.441 0.069 20 0 GCADHM CC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735457686 598699215 /nfs/dbraw/zinc/69/92/15/598699215.db2.gz BNVQFVDNHZFPCA-UHFFFAOYSA-N -1 3 392.441 0.069 20 0 GCADHM O=C(CN1CCN(c2ncccc2-c2nnn[n-]2)CC1)NCc1cccnc1 ZINC000737884757 598700549 /nfs/dbraw/zinc/70/05/49/598700549.db2.gz WLDAJVYJHDRTJT-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM O=C(CN1CCN(c2ncccc2-c2nn[n-]n2)CC1)NCc1cccnc1 ZINC000737884757 598700551 /nfs/dbraw/zinc/70/05/51/598700551.db2.gz WLDAJVYJHDRTJT-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM CNS(=O)(=O)CCCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736882087 598700580 /nfs/dbraw/zinc/70/05/80/598700580.db2.gz IGJLDWMYQPAJBR-UHFFFAOYSA-N -1 3 383.453 0.067 20 0 GCADHM CNS(=O)(=O)CCCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736882087 598700581 /nfs/dbraw/zinc/70/05/81/598700581.db2.gz IGJLDWMYQPAJBR-UHFFFAOYSA-N -1 3 383.453 0.067 20 0 GCADHM O=C1[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCN1CC(F)(F)F ZINC000738288658 598701170 /nfs/dbraw/zinc/70/11/70/598701170.db2.gz DFYBKBIZZVOJCA-LBPRGKRZSA-N -1 3 396.377 0.547 20 0 GCADHM O=C1[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCN1CC(F)(F)F ZINC000738288658 598701172 /nfs/dbraw/zinc/70/11/72/598701172.db2.gz DFYBKBIZZVOJCA-LBPRGKRZSA-N -1 3 396.377 0.547 20 0 GCADHM O=C(NCCO)C1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000823206540 607363189 /nfs/dbraw/zinc/36/31/89/607363189.db2.gz UNHLHXVMSQOQHN-UHFFFAOYSA-N -1 3 380.355 0.106 20 0 GCADHM O=C(NCCO)C1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000823206540 607363192 /nfs/dbraw/zinc/36/31/92/607363192.db2.gz UNHLHXVMSQOQHN-UHFFFAOYSA-N -1 3 380.355 0.106 20 0 GCADHM O=C(CN1CCC[C@@H]1[C@@H](O)C(F)(F)F)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737877521 598702378 /nfs/dbraw/zinc/70/23/78/598702378.db2.gz MNLIBINRZGYUDI-TZMCWYRMSA-N -1 3 384.362 0.871 20 0 GCADHM O=C(CN1CCC[C@@H]1[C@@H](O)C(F)(F)F)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737877521 598702380 /nfs/dbraw/zinc/70/23/80/598702380.db2.gz MNLIBINRZGYUDI-TZMCWYRMSA-N -1 3 384.362 0.871 20 0 GCADHM Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737610379 598704893 /nfs/dbraw/zinc/70/48/93/598704893.db2.gz ONWCODSXKOULAW-UHFFFAOYSA-N -1 3 380.361 0.349 20 0 GCADHM Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737610379 598704894 /nfs/dbraw/zinc/70/48/94/598704894.db2.gz ONWCODSXKOULAW-UHFFFAOYSA-N -1 3 380.361 0.349 20 0 GCADHM CNC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736871258 598705215 /nfs/dbraw/zinc/70/52/15/598705215.db2.gz NIYJNXTUESBRMK-JTQLQIEISA-N -1 3 377.836 0.917 20 0 GCADHM CNC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736871258 598705216 /nfs/dbraw/zinc/70/52/16/598705216.db2.gz NIYJNXTUESBRMK-JTQLQIEISA-N -1 3 377.836 0.917 20 0 GCADHM O=C(CN1CCCS(=O)(=O)CC1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737874203 598708428 /nfs/dbraw/zinc/70/84/28/598708428.db2.gz SWVJHJVAQPLUMT-UHFFFAOYSA-N -1 3 384.849 0.579 20 0 GCADHM O=C(CN1CCCS(=O)(=O)CC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737874203 598708431 /nfs/dbraw/zinc/70/84/31/598708431.db2.gz SWVJHJVAQPLUMT-UHFFFAOYSA-N -1 3 384.849 0.579 20 0 GCADHM O=C(CN1CCC[C@H](N2CCCC2=O)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737876227 598708477 /nfs/dbraw/zinc/70/84/77/598708477.db2.gz OWSMNRKCZJOEAZ-NSHDSACASA-N -1 3 375.458 0.954 20 0 GCADHM O=C(CN1CCC[C@H](N2CCCC2=O)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737876227 598708479 /nfs/dbraw/zinc/70/84/79/598708479.db2.gz OWSMNRKCZJOEAZ-NSHDSACASA-N -1 3 375.458 0.954 20 0 GCADHM O=C1[C@H](N2CCCS(=O)(=O)CC2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738290517 598708824 /nfs/dbraw/zinc/70/88/24/598708824.db2.gz PJXGHCAXTZMPKG-CQSZACIVSA-N -1 3 376.442 0.093 20 0 GCADHM O=C1[C@H](N2CCCS(=O)(=O)CC2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738290517 598708826 /nfs/dbraw/zinc/70/88/26/598708826.db2.gz PJXGHCAXTZMPKG-CQSZACIVSA-N -1 3 376.442 0.093 20 0 GCADHM O=C(N[C@H](CO)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000737996945 598710257 /nfs/dbraw/zinc/71/02/57/598710257.db2.gz SJGBAZWFVIJMQF-OAHLLOKOSA-N -1 3 385.355 0.840 20 0 GCADHM O=C(N[C@H](CO)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000737996945 598710258 /nfs/dbraw/zinc/71/02/58/598710258.db2.gz SJGBAZWFVIJMQF-OAHLLOKOSA-N -1 3 385.355 0.840 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000738329911 598711807 /nfs/dbraw/zinc/71/18/07/598711807.db2.gz NSAHRAAHCJVNGF-OAHLLOKOSA-N -1 3 389.441 0.294 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000738329911 598711808 /nfs/dbraw/zinc/71/18/08/598711808.db2.gz NSAHRAAHCJVNGF-OAHLLOKOSA-N -1 3 389.441 0.294 20 0 GCADHM O=C(COC(=O)CSc1ccc(-c2nnn[n-]2)cc1)NC1CCOCC1 ZINC000737905344 598714169 /nfs/dbraw/zinc/71/41/69/598714169.db2.gz ZGSNOLPVDCGBCV-UHFFFAOYSA-N -1 3 377.426 0.797 20 0 GCADHM O=C(COC(=O)CSc1ccc(-c2nn[n-]n2)cc1)NC1CCOCC1 ZINC000737905344 598714171 /nfs/dbraw/zinc/71/41/71/598714171.db2.gz ZGSNOLPVDCGBCV-UHFFFAOYSA-N -1 3 377.426 0.797 20 0 GCADHM CCCNC(=O)NC(=O)COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736484457 598715136 /nfs/dbraw/zinc/71/51/36/598715136.db2.gz ZKJRPWZUEUHJKL-UHFFFAOYSA-N -1 3 378.414 0.738 20 0 GCADHM CCCNC(=O)NC(=O)COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736484457 598715138 /nfs/dbraw/zinc/71/51/38/598715138.db2.gz ZKJRPWZUEUHJKL-UHFFFAOYSA-N -1 3 378.414 0.738 20 0 GCADHM Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)on1 ZINC000737269822 598719243 /nfs/dbraw/zinc/71/92/43/598719243.db2.gz BWHYOJYUAGHETK-KRWDZBQOSA-N -1 3 396.367 0.569 20 0 GCADHM Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)on1 ZINC000737269822 598719245 /nfs/dbraw/zinc/71/92/45/598719245.db2.gz BWHYOJYUAGHETK-KRWDZBQOSA-N -1 3 396.367 0.569 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc(OCCO)cc1 ZINC000737890625 598723552 /nfs/dbraw/zinc/72/35/52/598723552.db2.gz WPWXFFFVIRHDEO-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc(OCCO)cc1 ZINC000737890625 598723553 /nfs/dbraw/zinc/72/35/53/598723553.db2.gz WPWXFFFVIRHDEO-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM CCn1nc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)ccc1=O ZINC000736729081 598724698 /nfs/dbraw/zinc/72/46/98/598724698.db2.gz TXBVPKXTTTYSNG-UHFFFAOYSA-N -1 3 387.356 0.449 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1nccn1C ZINC000735904369 598726817 /nfs/dbraw/zinc/72/68/17/598726817.db2.gz NAIHKJXIUWYRFG-UHFFFAOYSA-N -1 3 384.400 0.642 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1nccn1C ZINC000735904369 598726819 /nfs/dbraw/zinc/72/68/19/598726819.db2.gz NAIHKJXIUWYRFG-UHFFFAOYSA-N -1 3 384.400 0.642 20 0 GCADHM O=C1CCCN1C[C@H](O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738304032 598728360 /nfs/dbraw/zinc/72/83/60/598728360.db2.gz VWCNRIIQLHNTTG-CQSZACIVSA-N -1 3 389.435 0.111 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736784061 598732518 /nfs/dbraw/zinc/73/25/18/598732518.db2.gz XXPHUEIWHZIJOW-UHFFFAOYSA-N -1 3 377.380 0.006 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736784061 598732519 /nfs/dbraw/zinc/73/25/19/598732519.db2.gz XXPHUEIWHZIJOW-UHFFFAOYSA-N -1 3 377.380 0.006 20 0 GCADHM C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736222973 598732672 /nfs/dbraw/zinc/73/26/72/598732672.db2.gz LIRPCKVXABJFPV-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736222973 598732673 /nfs/dbraw/zinc/73/26/73/598732673.db2.gz LIRPCKVXABJFPV-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCn2c(nnc2C2CC2)C1 ZINC000738076226 598732903 /nfs/dbraw/zinc/73/29/03/598732903.db2.gz WBYKEEXQBNKTQQ-UHFFFAOYSA-N -1 3 395.431 0.368 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCn2c(nnc2C2CC2)C1 ZINC000738076226 598732905 /nfs/dbraw/zinc/73/29/05/598732905.db2.gz WBYKEEXQBNKTQQ-UHFFFAOYSA-N -1 3 395.431 0.368 20 0 GCADHM COCCc1noc(CN2C(=O)N[C@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000737015716 598733304 /nfs/dbraw/zinc/73/33/04/598733304.db2.gz ZOUVPXLMLCSLAH-QGZVFWFLSA-N -1 3 398.383 0.406 20 0 GCADHM COCCc1noc(CN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737015716 598733305 /nfs/dbraw/zinc/73/33/05/598733305.db2.gz ZOUVPXLMLCSLAH-QGZVFWFLSA-N -1 3 398.383 0.406 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@H]1CN1CCCC1=O ZINC000738177364 598734835 /nfs/dbraw/zinc/73/48/35/598734835.db2.gz JMUDVZFPBLGWAV-HNNXBMFYSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@H]1CN1CCCC1=O ZINC000738177364 598734836 /nfs/dbraw/zinc/73/48/36/598734836.db2.gz JMUDVZFPBLGWAV-HNNXBMFYSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737879061 598735864 /nfs/dbraw/zinc/73/58/64/598735864.db2.gz SFISWPLVTLVSJL-RYUDHWBXSA-N -1 3 399.411 0.392 20 0 GCADHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737879061 598735865 /nfs/dbraw/zinc/73/58/65/598735865.db2.gz SFISWPLVTLVSJL-RYUDHWBXSA-N -1 3 399.411 0.392 20 0 GCADHM C[C@]12CCC(=O)N1[C@@H](C(=O)OCCNc1ncccc1-c1nnn[n-]1)CS2 ZINC000736230537 598736736 /nfs/dbraw/zinc/73/67/36/598736736.db2.gz SRGBUPWKRPQGQX-BZNIZROVSA-N -1 3 389.441 0.671 20 0 GCADHM C[C@]12CCC(=O)N1[C@@H](C(=O)OCCNc1ncccc1-c1nn[n-]n1)CS2 ZINC000736230537 598736738 /nfs/dbraw/zinc/73/67/38/598736738.db2.gz SRGBUPWKRPQGQX-BZNIZROVSA-N -1 3 389.441 0.671 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737925143 598744350 /nfs/dbraw/zinc/74/43/50/598744350.db2.gz OCGNRNWQZOZXOH-SNVBAGLBSA-N -1 3 384.318 0.525 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737925143 598744351 /nfs/dbraw/zinc/74/43/51/598744351.db2.gz OCGNRNWQZOZXOH-SNVBAGLBSA-N -1 3 384.318 0.525 20 0 GCADHM C[C@@H](C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)S(C)(=O)=O ZINC000735517101 598745514 /nfs/dbraw/zinc/74/55/14/598745514.db2.gz AEEQQDNKDRWDLD-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737790890 598747230 /nfs/dbraw/zinc/74/72/30/598747230.db2.gz HGCZZMNUCVTGKF-ZDUSSCGKSA-N -1 3 391.453 0.671 20 0 GCADHM Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737444776 598748939 /nfs/dbraw/zinc/74/89/39/598748939.db2.gz PGTJTPVHIMQKEA-AWEZNQCLSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737444776 598748940 /nfs/dbraw/zinc/74/89/40/598748940.db2.gz PGTJTPVHIMQKEA-AWEZNQCLSA-N -1 3 389.441 0.461 20 0 GCADHM CN1CC(=O)N(CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000736844497 598754441 /nfs/dbraw/zinc/75/44/41/598754441.db2.gz CEFLICRWFKZLLN-UHFFFAOYSA-N -1 3 399.411 0.131 20 0 GCADHM O=C(CN1CCCNC1=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737874147 598755128 /nfs/dbraw/zinc/75/51/28/598755128.db2.gz SABFISORUMNUGZ-UHFFFAOYSA-N -1 3 385.428 0.652 20 0 GCADHM O=C(c1ccnc(C2CC2)n1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738288977 598755353 /nfs/dbraw/zinc/75/53/53/598755353.db2.gz FMUPFZDSLBWLMH-UHFFFAOYSA-N -1 3 377.412 0.892 20 0 GCADHM O=C(c1ccnc(C2CC2)n1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738288977 598755354 /nfs/dbraw/zinc/75/53/54/598755354.db2.gz FMUPFZDSLBWLMH-UHFFFAOYSA-N -1 3 377.412 0.892 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736037169 598757211 /nfs/dbraw/zinc/75/72/11/598757211.db2.gz FASDCEQJWKGPSA-SECBINFHSA-N -1 3 386.865 0.824 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736037169 598757213 /nfs/dbraw/zinc/75/72/13/598757213.db2.gz FASDCEQJWKGPSA-SECBINFHSA-N -1 3 386.865 0.824 20 0 GCADHM CCn1cnnc1[C@@H]1CCCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736721975 598763454 /nfs/dbraw/zinc/76/34/54/598763454.db2.gz LNHBHEUFHFDFNQ-MRXNPFEDSA-N -1 3 395.471 0.974 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737743740 598765105 /nfs/dbraw/zinc/76/51/05/598765105.db2.gz JMHYFKDXQHRZKQ-CQSZACIVSA-N -1 3 378.392 0.936 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737743740 598765106 /nfs/dbraw/zinc/76/51/06/598765106.db2.gz JMHYFKDXQHRZKQ-CQSZACIVSA-N -1 3 378.392 0.936 20 0 GCADHM CCCNC(=O)NC(=O)CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736483834 598766431 /nfs/dbraw/zinc/76/64/31/598766431.db2.gz QLCYTPTZBZGIQX-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM CC(C)n1cnnc1CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735965001 598766736 /nfs/dbraw/zinc/76/67/36/598766736.db2.gz IGQJKAIJBYBZKL-UHFFFAOYSA-N -1 3 393.415 0.737 20 0 GCADHM CC(C)n1cnnc1CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735965001 598766740 /nfs/dbraw/zinc/76/67/40/598766740.db2.gz IGQJKAIJBYBZKL-UHFFFAOYSA-N -1 3 393.415 0.737 20 0 GCADHM COCCCNC(=O)[C@H](C)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736986940 598768033 /nfs/dbraw/zinc/76/80/33/598768033.db2.gz RGYVLGKEEIXCHL-HNNXBMFYSA-N -1 3 387.488 0.526 20 0 GCADHM COCCc1noc(CSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737013170 598768165 /nfs/dbraw/zinc/76/81/65/598768165.db2.gz GUIOCYWXWUUVTF-UHFFFAOYSA-N -1 3 389.441 0.988 20 0 GCADHM COCCc1noc(CSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737013170 598768166 /nfs/dbraw/zinc/76/81/66/598768166.db2.gz GUIOCYWXWUUVTF-UHFFFAOYSA-N -1 3 389.441 0.988 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000737024547 598769553 /nfs/dbraw/zinc/76/95/53/598769553.db2.gz SWCOJBKKROYHJX-CYBMUJFWSA-N -1 3 384.400 0.537 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000737024547 598769555 /nfs/dbraw/zinc/76/95/55/598769555.db2.gz SWCOJBKKROYHJX-CYBMUJFWSA-N -1 3 384.400 0.537 20 0 GCADHM CCCNC(=O)CNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736484376 598770904 /nfs/dbraw/zinc/77/09/04/598770904.db2.gz XVUXYQYBOZWZEM-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM CN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736787063 598776414 /nfs/dbraw/zinc/77/64/14/598776414.db2.gz FEKBMDZMLOWHEJ-GFCCVEGCSA-N -1 3 397.361 0.900 20 0 GCADHM CN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736787063 598776416 /nfs/dbraw/zinc/77/64/16/598776416.db2.gz FEKBMDZMLOWHEJ-GFCCVEGCSA-N -1 3 397.361 0.900 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1Cn1cncn1 ZINC000738354747 598777516 /nfs/dbraw/zinc/77/75/16/598777516.db2.gz KLFWYNDOTQETKG-SNVBAGLBSA-N -1 3 378.393 0.451 20 0 GCADHM O=C(COC(=O)C1(O)CCOCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737901786 598781289 /nfs/dbraw/zinc/78/12/89/598781289.db2.gz ZLXTXLZPEWMANF-UHFFFAOYSA-N -1 3 381.776 0.543 20 0 GCADHM O=C(COC(=O)C1(O)CCOCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737901786 598781291 /nfs/dbraw/zinc/78/12/91/598781291.db2.gz ZLXTXLZPEWMANF-UHFFFAOYSA-N -1 3 381.776 0.543 20 0 GCADHM CCC[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736436262 598783780 /nfs/dbraw/zinc/78/37/80/598783780.db2.gz QBKNBXQORZJWMS-LBPRGKRZSA-N -1 3 376.417 0.870 20 0 GCADHM CCC[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736436262 598783781 /nfs/dbraw/zinc/78/37/81/598783781.db2.gz QBKNBXQORZJWMS-LBPRGKRZSA-N -1 3 376.417 0.870 20 0 GCADHM CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736438445 598784069 /nfs/dbraw/zinc/78/40/69/598784069.db2.gz ZULNNZSBXITTOO-SECBINFHSA-N -1 3 384.343 0.684 20 0 GCADHM CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736438445 598784070 /nfs/dbraw/zinc/78/40/70/598784070.db2.gz ZULNNZSBXITTOO-SECBINFHSA-N -1 3 384.343 0.684 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000737058494 598784615 /nfs/dbraw/zinc/78/46/15/598784615.db2.gz YJDVFTOGHWDMSF-GFCCVEGCSA-N -1 3 397.399 0.097 20 0 GCADHM O=S(=O)(CCNc1cccc(F)c1-c1nnn[n-]1)NC[C@H]1CCCCO1 ZINC000738330434 598787835 /nfs/dbraw/zinc/78/78/35/598787835.db2.gz NVXMQRHGUMZRSU-LLVKDONJSA-N -1 3 384.437 0.906 20 0 GCADHM O=S(=O)(CCNc1cccc(F)c1-c1nn[n-]n1)NC[C@H]1CCCCO1 ZINC000738330434 598787837 /nfs/dbraw/zinc/78/78/37/598787837.db2.gz NVXMQRHGUMZRSU-LLVKDONJSA-N -1 3 384.437 0.906 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=S)NCCS(C)(=O)=O ZINC000735905503 598788339 /nfs/dbraw/zinc/78/83/39/598788339.db2.gz JLWBWYDTOVGLKN-UHFFFAOYSA-N -1 3 384.487 0.985 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=S)NCCS(C)(=O)=O ZINC000735905503 598788341 /nfs/dbraw/zinc/78/83/41/598788341.db2.gz JLWBWYDTOVGLKN-UHFFFAOYSA-N -1 3 384.487 0.985 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000737026542 598790529 /nfs/dbraw/zinc/79/05/29/598790529.db2.gz YIJVDARBOJPEJY-UHFFFAOYSA-N -1 3 381.352 0.668 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000737026542 598790530 /nfs/dbraw/zinc/79/05/30/598790530.db2.gz YIJVDARBOJPEJY-UHFFFAOYSA-N -1 3 381.352 0.668 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000735883121 598791091 /nfs/dbraw/zinc/79/10/91/598791091.db2.gz WPLDTONPZCUBGP-UHFFFAOYSA-N -1 3 377.836 0.693 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000735883121 598791093 /nfs/dbraw/zinc/79/10/93/598791093.db2.gz WPLDTONPZCUBGP-UHFFFAOYSA-N -1 3 377.836 0.693 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000735734806 598792167 /nfs/dbraw/zinc/79/21/67/598792167.db2.gz JQRWDJUPIQGTSH-MLGOLLRUSA-N -1 3 382.428 0.993 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000735734806 598792168 /nfs/dbraw/zinc/79/21/68/598792168.db2.gz JQRWDJUPIQGTSH-MLGOLLRUSA-N -1 3 382.428 0.993 20 0 GCADHM CCN(C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)[C@@H](C)CS(C)(=O)=O ZINC000736506110 598798386 /nfs/dbraw/zinc/79/83/86/598798386.db2.gz RMFKBDJFXSVRDR-NSHDSACASA-N -1 3 396.477 0.138 20 0 GCADHM CCN(C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)[C@@H](C)CS(C)(=O)=O ZINC000736506110 598798387 /nfs/dbraw/zinc/79/83/87/598798387.db2.gz RMFKBDJFXSVRDR-NSHDSACASA-N -1 3 396.477 0.138 20 0 GCADHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736160942 598801574 /nfs/dbraw/zinc/80/15/74/598801574.db2.gz AJIQACOEEFHHMP-ZWNOBZJWSA-N -1 3 393.425 0.058 20 0 GCADHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736160942 598801575 /nfs/dbraw/zinc/80/15/75/598801575.db2.gz AJIQACOEEFHHMP-ZWNOBZJWSA-N -1 3 393.425 0.058 20 0 GCADHM CC(C)(C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000735575386 598802887 /nfs/dbraw/zinc/80/28/87/598802887.db2.gz RGXIMJFHKMELAP-UHFFFAOYSA-N -1 3 378.458 0.339 20 0 GCADHM CC(C)(C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000735575386 598802889 /nfs/dbraw/zinc/80/28/89/598802889.db2.gz RGXIMJFHKMELAP-UHFFFAOYSA-N -1 3 378.458 0.339 20 0 GCADHM CN(C)CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCS(C)(=O)=O ZINC000736767085 598805253 /nfs/dbraw/zinc/80/52/53/598805253.db2.gz KYQNMAZVIPMENA-UHFFFAOYSA-N -1 3 380.474 0.192 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735465939 598806061 /nfs/dbraw/zinc/80/60/61/598806061.db2.gz CHMNCKVPUADFDL-CYBMUJFWSA-N -1 3 384.425 0.912 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000736171531 598807204 /nfs/dbraw/zinc/80/72/04/598807204.db2.gz WZOBPKOQFIZKRX-LLVKDONJSA-N -1 3 394.457 0.161 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735913584 598807515 /nfs/dbraw/zinc/80/75/15/598807515.db2.gz KRCSFGURILUHSC-UHFFFAOYSA-N -1 3 375.414 0.814 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000736657817 598809669 /nfs/dbraw/zinc/80/96/69/598809669.db2.gz XPMWKFCDOMBDOJ-NSHDSACASA-N -1 3 397.457 0.536 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000736657817 598809670 /nfs/dbraw/zinc/80/96/70/598809670.db2.gz XPMWKFCDOMBDOJ-NSHDSACASA-N -1 3 397.457 0.536 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736655316 598809716 /nfs/dbraw/zinc/80/97/16/598809716.db2.gz BICNIYLQSWMGHR-VXGBXAGGSA-N -1 3 381.458 0.916 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736655316 598809717 /nfs/dbraw/zinc/80/97/17/598809717.db2.gz BICNIYLQSWMGHR-VXGBXAGGSA-N -1 3 381.458 0.916 20 0 GCADHM O=C(CNC(=O)OCC(F)(F)F)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826412031 607367293 /nfs/dbraw/zinc/36/72/93/607367293.db2.gz YRVFSAHRYOHBDK-UHFFFAOYSA-N -1 3 387.274 0.881 20 0 GCADHM O=C(CNC(=O)OCC(F)(F)F)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826412031 607367294 /nfs/dbraw/zinc/36/72/94/607367294.db2.gz YRVFSAHRYOHBDK-UHFFFAOYSA-N -1 3 387.274 0.881 20 0 GCADHM CN(CC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)C(=O)C1CC1 ZINC000736782024 598810748 /nfs/dbraw/zinc/81/07/48/598810748.db2.gz HGSKULVKFJQYKM-UHFFFAOYSA-N -1 3 387.419 0.523 20 0 GCADHM CN(CC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)C(=O)C1CC1 ZINC000736782024 598810750 /nfs/dbraw/zinc/81/07/50/598810750.db2.gz HGSKULVKFJQYKM-UHFFFAOYSA-N -1 3 387.419 0.523 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)o1 ZINC000737172620 598811014 /nfs/dbraw/zinc/81/10/14/598811014.db2.gz DLBFJLPZTUXQMQ-UHFFFAOYSA-N -1 3 377.386 0.100 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)o1 ZINC000737172620 598811016 /nfs/dbraw/zinc/81/10/16/598811016.db2.gz DLBFJLPZTUXQMQ-UHFFFAOYSA-N -1 3 377.386 0.100 20 0 GCADHM O=C(CNCC(F)(F)F)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737896114 598811503 /nfs/dbraw/zinc/81/15/03/598811503.db2.gz VAEPGNOHLIIHTH-UHFFFAOYSA-N -1 3 387.341 0.806 20 0 GCADHM O=C(CNCC(F)(F)F)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737896114 598811505 /nfs/dbraw/zinc/81/15/05/598811505.db2.gz VAEPGNOHLIIHTH-UHFFFAOYSA-N -1 3 387.341 0.806 20 0 GCADHM NC(=O)CNc1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826391562 607367380 /nfs/dbraw/zinc/36/73/80/607367380.db2.gz QRVAAYYKPMILKM-UHFFFAOYSA-N -1 3 380.364 0.804 20 0 GCADHM NC(=O)CNc1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826391562 607367382 /nfs/dbraw/zinc/36/73/82/607367382.db2.gz QRVAAYYKPMILKM-UHFFFAOYSA-N -1 3 380.364 0.804 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCCc1nncn1C ZINC000737032991 598814630 /nfs/dbraw/zinc/81/46/30/598814630.db2.gz MEQSBXDMHAETKA-UHFFFAOYSA-N -1 3 386.416 0.522 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCCc1nncn1C ZINC000737032991 598814631 /nfs/dbraw/zinc/81/46/31/598814631.db2.gz MEQSBXDMHAETKA-UHFFFAOYSA-N -1 3 386.416 0.522 20 0 GCADHM COC(=O)NC(C)(C)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736934745 598817619 /nfs/dbraw/zinc/81/76/19/598817619.db2.gz CODWREKRIDRHFC-UHFFFAOYSA-N -1 3 391.407 0.789 20 0 GCADHM COC(=O)NC(C)(C)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736934745 598817621 /nfs/dbraw/zinc/81/76/21/598817621.db2.gz CODWREKRIDRHFC-UHFFFAOYSA-N -1 3 391.407 0.789 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736657293 598819842 /nfs/dbraw/zinc/81/98/42/598819842.db2.gz RUQCVWWYHPJWSN-GFCCVEGCSA-N -1 3 380.474 0.950 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736655743 598820022 /nfs/dbraw/zinc/82/00/22/598820022.db2.gz FTHODCOTOBGFTR-JSGCOSHPSA-N -1 3 383.474 0.361 20 0 GCADHM CCN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000736520819 598820065 /nfs/dbraw/zinc/82/00/65/598820065.db2.gz COBWXBKOOLKWRH-ZFWWWQNUSA-N -1 3 397.501 0.752 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736655745 598820386 /nfs/dbraw/zinc/82/03/86/598820386.db2.gz FTHODCOTOBGFTR-TZMCWYRMSA-N -1 3 383.474 0.361 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736871762 598820625 /nfs/dbraw/zinc/82/06/25/598820625.db2.gz YMZVHNHISWPUPE-CYBMUJFWSA-N -1 3 388.428 0.771 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736871762 598820626 /nfs/dbraw/zinc/82/06/26/598820626.db2.gz YMZVHNHISWPUPE-CYBMUJFWSA-N -1 3 388.428 0.771 20 0 GCADHM Cc1nc(C(C)(C)NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)no1 ZINC000737467405 598820656 /nfs/dbraw/zinc/82/06/56/598820656.db2.gz DCBYKSYNCIVWDX-UHFFFAOYSA-N -1 3 394.399 0.991 20 0 GCADHM Cc1nc(C(C)(C)NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)no1 ZINC000737467405 598820658 /nfs/dbraw/zinc/82/06/58/598820658.db2.gz DCBYKSYNCIVWDX-UHFFFAOYSA-N -1 3 394.399 0.991 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736039364 598822965 /nfs/dbraw/zinc/82/29/65/598822965.db2.gz IUNRTMHGQSTOOZ-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM CC(C)(C)n1cc(C(=O)C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cn1 ZINC000735662869 599295839 /nfs/dbraw/zinc/29/58/39/599295839.db2.gz ZVZZVIFYYFPNIX-UHFFFAOYSA-N -1 3 387.429 0.942 20 0 GCADHM CC(C)(C)n1cc(C(=O)C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cn1 ZINC000735662869 599295841 /nfs/dbraw/zinc/29/58/41/599295841.db2.gz ZVZZVIFYYFPNIX-UHFFFAOYSA-N -1 3 387.429 0.942 20 0 GCADHM CC[C@@H]1CN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000736406770 599298257 /nfs/dbraw/zinc/29/82/57/599298257.db2.gz BPWMQRPJGQSFMT-RHSMWYFYSA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@@H]1CN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000736406770 599298259 /nfs/dbraw/zinc/29/82/59/599298259.db2.gz BPWMQRPJGQSFMT-RHSMWYFYSA-N -1 3 386.456 0.815 20 0 GCADHM O=S(=O)(NCCCN1CCOCC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823573789 599301276 /nfs/dbraw/zinc/30/12/76/599301276.db2.gz YSRIEYRLWXJMNH-UHFFFAOYSA-N -1 3 386.865 0.521 20 0 GCADHM O=S(=O)(NCCCN1CCOCC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823573789 599301278 /nfs/dbraw/zinc/30/12/78/599301278.db2.gz YSRIEYRLWXJMNH-UHFFFAOYSA-N -1 3 386.865 0.521 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](N3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737547296 599301873 /nfs/dbraw/zinc/30/18/73/599301873.db2.gz JVDSCAQADIJWSM-OCCSQVGLSA-N -1 3 389.460 0.810 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](N3CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000737547296 599301875 /nfs/dbraw/zinc/30/18/75/599301875.db2.gz JVDSCAQADIJWSM-OCCSQVGLSA-N -1 3 389.460 0.810 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCC(=O)NCCNC(C)=O ZINC000736637522 599302692 /nfs/dbraw/zinc/30/26/92/599302692.db2.gz RHMICVRUGZFSJC-UHFFFAOYSA-N -1 3 389.416 0.236 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(=O)NCCNC(C)=O ZINC000736637522 599302695 /nfs/dbraw/zinc/30/26/95/599302695.db2.gz RHMICVRUGZFSJC-UHFFFAOYSA-N -1 3 389.416 0.236 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC2CCN(C(=O)C(C)C)CC2)c1-c1nnn[n-]1 ZINC000737398182 599303370 /nfs/dbraw/zinc/30/33/70/599303370.db2.gz DVHGLZZSUIVFAN-UHFFFAOYSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC2CCN(C(=O)C(C)C)CC2)c1-c1nn[n-]n1 ZINC000737398182 599303372 /nfs/dbraw/zinc/30/33/72/599303372.db2.gz DVHGLZZSUIVFAN-UHFFFAOYSA-N -1 3 399.455 0.877 20 0 GCADHM CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736742583 599307846 /nfs/dbraw/zinc/30/78/46/599307846.db2.gz PNWAVIUVLDPZPD-UHFFFAOYSA-N -1 3 392.379 0.089 20 0 GCADHM CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736742583 599307848 /nfs/dbraw/zinc/30/78/48/599307848.db2.gz PNWAVIUVLDPZPD-UHFFFAOYSA-N -1 3 392.379 0.089 20 0 GCADHM COC(=O)[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)c1ccccn1 ZINC000736892598 599315851 /nfs/dbraw/zinc/31/58/51/599315851.db2.gz ATTFMVYTQCGRRI-INIZCTEOSA-N -1 3 398.379 0.680 20 0 GCADHM COC(=O)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)c1ccccn1 ZINC000736892598 599315855 /nfs/dbraw/zinc/31/58/55/599315855.db2.gz ATTFMVYTQCGRRI-INIZCTEOSA-N -1 3 398.379 0.680 20 0 GCADHM CC[C@H](C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)N1CCCC1=O ZINC000820843351 599320405 /nfs/dbraw/zinc/32/04/05/599320405.db2.gz WXLRPHFSQIQARV-OAHLLOKOSA-N -1 3 383.456 0.916 20 0 GCADHM CC[C@H](C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)N1CCCC1=O ZINC000820843351 599320408 /nfs/dbraw/zinc/32/04/08/599320408.db2.gz WXLRPHFSQIQARV-OAHLLOKOSA-N -1 3 383.456 0.916 20 0 GCADHM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000469279217 599320757 /nfs/dbraw/zinc/32/07/57/599320757.db2.gz WUHJRVCSGZPHIA-UHFFFAOYSA-N -1 3 389.441 0.812 20 0 GCADHM CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000469279217 599320760 /nfs/dbraw/zinc/32/07/60/599320760.db2.gz WUHJRVCSGZPHIA-UHFFFAOYSA-N -1 3 389.441 0.812 20 0 GCADHM O=S(=O)([C@H]1CCOC1)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738317815 599323303 /nfs/dbraw/zinc/32/33/03/599323303.db2.gz MOCSUZACMRHCCG-INIZCTEOSA-N -1 3 392.485 0.493 20 0 GCADHM COC(=O)CCCS(=O)(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736913519 599324528 /nfs/dbraw/zinc/32/45/28/599324528.db2.gz RRZQFYOKYMJBAF-UHFFFAOYSA-N -1 3 394.457 0.272 20 0 GCADHM COC(=O)CCCS(=O)(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736913519 599324530 /nfs/dbraw/zinc/32/45/30/599324530.db2.gz RRZQFYOKYMJBAF-UHFFFAOYSA-N -1 3 394.457 0.272 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)O[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737932624 599335783 /nfs/dbraw/zinc/33/57/83/599335783.db2.gz ZYFDZUSRWNAJOF-LLVKDONJSA-N -1 3 385.302 0.952 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)O[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737932624 599335786 /nfs/dbraw/zinc/33/57/86/599335786.db2.gz ZYFDZUSRWNAJOF-LLVKDONJSA-N -1 3 385.302 0.952 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821663688 599338864 /nfs/dbraw/zinc/33/88/64/599338864.db2.gz JVUJOZXKUBCFRO-SNVBAGLBSA-N -1 3 391.413 0.276 20 0 GCADHM CCn1nc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c(=O)c2ccccc21 ZINC000736727770 599340037 /nfs/dbraw/zinc/34/00/37/599340037.db2.gz FFNHSEVLEBMGEI-UHFFFAOYSA-N -1 3 395.383 0.232 20 0 GCADHM CCn1nc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c(=O)c2ccccc21 ZINC000736727770 599340039 /nfs/dbraw/zinc/34/00/39/599340039.db2.gz FFNHSEVLEBMGEI-UHFFFAOYSA-N -1 3 395.383 0.232 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000821656893 599343069 /nfs/dbraw/zinc/34/30/69/599343069.db2.gz BLGMDSUGUWYWTQ-SNVBAGLBSA-N -1 3 387.805 0.083 20 0 GCADHM Cc1nccn1-c1ncccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822476947 599345390 /nfs/dbraw/zinc/34/53/90/599345390.db2.gz AUMYRWNVCBXMLO-UHFFFAOYSA-N -1 3 397.424 0.629 20 0 GCADHM Cc1nccn1-c1ncccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822476947 599345393 /nfs/dbraw/zinc/34/53/93/599345393.db2.gz AUMYRWNVCBXMLO-UHFFFAOYSA-N -1 3 397.424 0.629 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000736170847 599348822 /nfs/dbraw/zinc/34/88/22/599348822.db2.gz YEXBLMWJLNYEJP-MRVPVSSYSA-N -1 3 393.385 0.200 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000736170848 599348850 /nfs/dbraw/zinc/34/88/50/599348850.db2.gz YEXBLMWJLNYEJP-QMMMGPOBSA-N -1 3 393.385 0.200 20 0 GCADHM O=S(=O)(NCCCOC1CCOCC1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823573022 599350497 /nfs/dbraw/zinc/35/04/97/599350497.db2.gz QKMFKHIHUGBSEO-UHFFFAOYSA-N -1 3 385.421 0.870 20 0 GCADHM O=S(=O)(NCCCOC1CCOCC1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823573022 599350498 /nfs/dbraw/zinc/35/04/98/599350498.db2.gz QKMFKHIHUGBSEO-UHFFFAOYSA-N -1 3 385.421 0.870 20 0 GCADHM Cc1nn(C)c(C)c1S(=O)(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822496539 599357247 /nfs/dbraw/zinc/35/72/47/599357247.db2.gz PXPHRVMYEVCYCN-UHFFFAOYSA-N -1 3 377.430 0.574 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000823566547 599358855 /nfs/dbraw/zinc/35/88/55/599358855.db2.gz IYDBIXDVWHJYPE-OAHLLOKOSA-N -1 3 392.485 0.351 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000823566547 599358859 /nfs/dbraw/zinc/35/88/59/599358859.db2.gz IYDBIXDVWHJYPE-OAHLLOKOSA-N -1 3 392.485 0.351 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823595211 599359443 /nfs/dbraw/zinc/35/94/43/599359443.db2.gz ZKNRCXGTETVDBS-ZDUSSCGKSA-N -1 3 378.458 0.210 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823595211 599359445 /nfs/dbraw/zinc/35/94/45/599359445.db2.gz ZKNRCXGTETVDBS-ZDUSSCGKSA-N -1 3 378.458 0.210 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](CN2CCOCC2)C1 ZINC000823595210 599359643 /nfs/dbraw/zinc/35/96/43/599359643.db2.gz ZKNRCXGTETVDBS-CYBMUJFWSA-N -1 3 378.458 0.210 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](CN2CCOCC2)C1 ZINC000823595210 599359646 /nfs/dbraw/zinc/35/96/46/599359646.db2.gz ZKNRCXGTETVDBS-CYBMUJFWSA-N -1 3 378.458 0.210 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000823600886 599359809 /nfs/dbraw/zinc/35/98/09/599359809.db2.gz LRDSHOGGSQPFJN-GFCCVEGCSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000823600886 599359814 /nfs/dbraw/zinc/35/98/14/599359814.db2.gz LRDSHOGGSQPFJN-GFCCVEGCSA-N -1 3 396.448 0.349 20 0 GCADHM CNC(=O)c1ccc(S(=O)(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000821635135 599364544 /nfs/dbraw/zinc/36/45/44/599364544.db2.gz NQZCOIZWYNVWOI-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM CNC(=O)c1ccc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000821635135 599364547 /nfs/dbraw/zinc/36/45/47/599364547.db2.gz NQZCOIZWYNVWOI-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737754736 599364905 /nfs/dbraw/zinc/36/49/05/599364905.db2.gz ZZUULPNEJSPAOL-UHFFFAOYSA-N -1 3 382.380 0.540 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000737894172 599366526 /nfs/dbraw/zinc/36/65/26/599366526.db2.gz GXEZFAHAXBUEIG-CQSZACIVSA-N -1 3 384.421 0.923 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cn1C ZINC000821635184 599367533 /nfs/dbraw/zinc/36/75/33/599367533.db2.gz QDSVUHRXLIAUCV-UHFFFAOYSA-N -1 3 393.404 0.182 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cn1C ZINC000821635184 599367535 /nfs/dbraw/zinc/36/75/35/599367535.db2.gz QDSVUHRXLIAUCV-UHFFFAOYSA-N -1 3 393.404 0.182 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000823600856 599368136 /nfs/dbraw/zinc/36/81/36/599368136.db2.gz LEEKZITYPLSPEE-GFCCVEGCSA-N -1 3 396.448 0.491 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000823600856 599368138 /nfs/dbraw/zinc/36/81/38/599368138.db2.gz LEEKZITYPLSPEE-GFCCVEGCSA-N -1 3 396.448 0.491 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC(C)(C)CCS(C)(=O)=O ZINC000822224190 599372947 /nfs/dbraw/zinc/37/29/47/599372947.db2.gz YZYJHHHZCINLJO-UHFFFAOYSA-N -1 3 387.487 0.667 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC(C)(C)CCS(C)(=O)=O ZINC000822224190 599372949 /nfs/dbraw/zinc/37/29/49/599372949.db2.gz YZYJHHHZCINLJO-UHFFFAOYSA-N -1 3 387.487 0.667 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000823606528 599373520 /nfs/dbraw/zinc/37/35/20/599373520.db2.gz JXEDPSQHJVTBDR-OAHLLOKOSA-N -1 3 392.485 0.742 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000823606528 599373521 /nfs/dbraw/zinc/37/35/21/599373521.db2.gz JXEDPSQHJVTBDR-OAHLLOKOSA-N -1 3 392.485 0.742 20 0 GCADHM COC(=O)c1ccc(=O)n(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000821669089 599382029 /nfs/dbraw/zinc/38/20/29/599382029.db2.gz XLKUDXOTGIURHI-UHFFFAOYSA-N -1 3 379.336 0.913 20 0 GCADHM COC(=O)c1ccc(=O)n(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000821669089 599382031 /nfs/dbraw/zinc/38/20/31/599382031.db2.gz XLKUDXOTGIURHI-UHFFFAOYSA-N -1 3 379.336 0.913 20 0 GCADHM CC1(C)C(=O)N(CCCOc2ccc(-c3nn[n-]n3)cc2)C(=O)N1CC(N)=O ZINC000820577429 599385962 /nfs/dbraw/zinc/38/59/62/599385962.db2.gz PWHDHHVVWPCWKW-UHFFFAOYSA-N -1 3 387.400 0.164 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000737925897 599387639 /nfs/dbraw/zinc/38/76/39/599387639.db2.gz ZZGHMPUUYDXIDX-AWEZNQCLSA-N -1 3 380.412 0.821 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000737925897 599387642 /nfs/dbraw/zinc/38/76/42/599387642.db2.gz ZZGHMPUUYDXIDX-AWEZNQCLSA-N -1 3 380.412 0.821 20 0 GCADHM COC(=O)[C@@](C)(NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CC1 ZINC000736889605 599390397 /nfs/dbraw/zinc/39/03/97/599390397.db2.gz UHPHSBMGUDUXRV-SFHVURJKSA-N -1 3 396.411 0.706 20 0 GCADHM COC(=O)[C@@](C)(NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CC1 ZINC000736889605 599390400 /nfs/dbraw/zinc/39/04/00/599390400.db2.gz UHPHSBMGUDUXRV-SFHVURJKSA-N -1 3 396.411 0.706 20 0 GCADHM O=C(C(=O)N1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000737782973 599412632 /nfs/dbraw/zinc/41/26/32/599412632.db2.gz QZKHJTIRGLHFMC-UHFFFAOYSA-N -1 3 389.847 0.791 20 0 GCADHM O=C(C(=O)N1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000737782973 599412635 /nfs/dbraw/zinc/41/26/35/599412635.db2.gz QZKHJTIRGLHFMC-UHFFFAOYSA-N -1 3 389.847 0.791 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000822689193 599413073 /nfs/dbraw/zinc/41/30/73/599413073.db2.gz HYPFAEGTOGZQIB-AWEZNQCLSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822689193 599413074 /nfs/dbraw/zinc/41/30/74/599413074.db2.gz HYPFAEGTOGZQIB-AWEZNQCLSA-N -1 3 395.427 0.595 20 0 GCADHM O=C(CCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)N1CCOCC1 ZINC000823182099 599415368 /nfs/dbraw/zinc/41/53/68/599415368.db2.gz HSXASMRRXNZVLR-UHFFFAOYSA-N -1 3 377.380 0.054 20 0 GCADHM O=C(CCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)N1CCOCC1 ZINC000823182099 599415370 /nfs/dbraw/zinc/41/53/70/599415370.db2.gz HSXASMRRXNZVLR-UHFFFAOYSA-N -1 3 377.380 0.054 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)NCc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822205646 599415807 /nfs/dbraw/zinc/41/58/07/599415807.db2.gz CBNFXMIPNPPVDC-AWEZNQCLSA-N -1 3 395.427 0.513 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)NCc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822205646 599415811 /nfs/dbraw/zinc/41/58/11/599415811.db2.gz CBNFXMIPNPPVDC-AWEZNQCLSA-N -1 3 395.427 0.513 20 0 GCADHM CC(C)(C)OC(=O)CCNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000819928645 599418441 /nfs/dbraw/zinc/41/84/41/599418441.db2.gz SYEIHTYWJRDMLP-UHFFFAOYSA-N -1 3 376.421 0.705 20 0 GCADHM CC(C)(C)OC(=O)CCNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000819928645 599418444 /nfs/dbraw/zinc/41/84/44/599418444.db2.gz SYEIHTYWJRDMLP-UHFFFAOYSA-N -1 3 376.421 0.705 20 0 GCADHM O=C(CNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)NCC(F)(F)F ZINC000823002457 599423072 /nfs/dbraw/zinc/42/30/72/599423072.db2.gz YQJYMGCRQFWNSI-UHFFFAOYSA-N -1 3 375.286 0.484 20 0 GCADHM O=C(CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)NCC(F)(F)F ZINC000823002457 599423075 /nfs/dbraw/zinc/42/30/75/599423075.db2.gz YQJYMGCRQFWNSI-UHFFFAOYSA-N -1 3 375.286 0.484 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824677940 607376218 /nfs/dbraw/zinc/37/62/18/607376218.db2.gz JKNWMWYQBOXIPL-YGRLFVJLSA-N -1 3 389.412 0.504 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824677940 607376220 /nfs/dbraw/zinc/37/62/20/607376220.db2.gz JKNWMWYQBOXIPL-YGRLFVJLSA-N -1 3 389.412 0.504 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824677936 607376314 /nfs/dbraw/zinc/37/63/14/607376314.db2.gz JKNWMWYQBOXIPL-IINYFYTJSA-N -1 3 389.412 0.504 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824677936 607376316 /nfs/dbraw/zinc/37/63/16/607376316.db2.gz JKNWMWYQBOXIPL-IINYFYTJSA-N -1 3 389.412 0.504 20 0 GCADHM CS(=O)(=O)CC1(CC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826222167 607376461 /nfs/dbraw/zinc/37/64/61/607376461.db2.gz LVMLZMQWUUDXAD-UHFFFAOYSA-N -1 3 378.410 0.808 20 0 GCADHM CS(=O)(=O)CC1(CC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826222167 607376463 /nfs/dbraw/zinc/37/64/63/607376463.db2.gz LVMLZMQWUUDXAD-UHFFFAOYSA-N -1 3 378.410 0.808 20 0 GCADHM Cc1oc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1S(N)(=O)=O ZINC000826341124 607378233 /nfs/dbraw/zinc/37/82/33/607378233.db2.gz XNNDBBKTDJOODA-UHFFFAOYSA-N -1 3 391.365 0.455 20 0 GCADHM Cc1oc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1S(N)(=O)=O ZINC000826341124 607378235 /nfs/dbraw/zinc/37/82/35/607378235.db2.gz XNNDBBKTDJOODA-UHFFFAOYSA-N -1 3 391.365 0.455 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821441830 599436973 /nfs/dbraw/zinc/43/69/73/599436973.db2.gz POYMDMIWDHJWJD-NSHDSACASA-N -1 3 381.462 0.556 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821441830 599436974 /nfs/dbraw/zinc/43/69/74/599436974.db2.gz POYMDMIWDHJWJD-NSHDSACASA-N -1 3 381.462 0.556 20 0 GCADHM C[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1nnc2n1CCC2 ZINC000820366512 599437841 /nfs/dbraw/zinc/43/78/41/599437841.db2.gz OQUNFVBVCUTVBO-NSHDSACASA-N -1 3 383.416 0.844 20 0 GCADHM CC1(C)COCCN1CCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820607798 599444045 /nfs/dbraw/zinc/44/40/45/599444045.db2.gz ZVDOKYIIBRAWPX-UHFFFAOYSA-N -1 3 377.424 0.916 20 0 GCADHM COC(=O)[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821640383 599445831 /nfs/dbraw/zinc/44/58/31/599445831.db2.gz HNQWDQMNDQREGL-AWEZNQCLSA-N -1 3 388.428 0.548 20 0 GCADHM COC(=O)[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821640383 599445832 /nfs/dbraw/zinc/44/58/32/599445832.db2.gz HNQWDQMNDQREGL-AWEZNQCLSA-N -1 3 388.428 0.548 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000820033226 599446628 /nfs/dbraw/zinc/44/66/28/599446628.db2.gz SRRFTBGZXIUVRL-GDBMZVCRSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000820033226 599446631 /nfs/dbraw/zinc/44/66/31/599446631.db2.gz SRRFTBGZXIUVRL-GDBMZVCRSA-N -1 3 385.428 0.853 20 0 GCADHM Cc1nccn1CCCCNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822479272 599446878 /nfs/dbraw/zinc/44/68/78/599446878.db2.gz ZENRTDCCRXAQRJ-UHFFFAOYSA-N -1 3 384.448 0.958 20 0 GCADHM CN(C1CC1)S(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736780670 599447426 /nfs/dbraw/zinc/44/74/26/599447426.db2.gz ZWMXMJHUYYPSMH-UHFFFAOYSA-N -1 3 377.474 0.323 20 0 GCADHM CN(C1CC1)S(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736780670 599447428 /nfs/dbraw/zinc/44/74/28/599447428.db2.gz ZWMXMJHUYYPSMH-UHFFFAOYSA-N -1 3 377.474 0.323 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736230933 599447682 /nfs/dbraw/zinc/44/76/82/599447682.db2.gz UIYWAJKAVNUFTP-ZJUUUORDSA-N -1 3 398.876 0.966 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736230933 599447683 /nfs/dbraw/zinc/44/76/83/599447683.db2.gz UIYWAJKAVNUFTP-ZJUUUORDSA-N -1 3 398.876 0.966 20 0 GCADHM CN(C1CC1)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736780672 599447772 /nfs/dbraw/zinc/44/77/72/599447772.db2.gz ZYNKOWWMRRPXSQ-UHFFFAOYSA-N -1 3 381.437 0.467 20 0 GCADHM CN(C1CC1)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736780672 599447774 /nfs/dbraw/zinc/44/77/74/599447774.db2.gz ZYNKOWWMRRPXSQ-UHFFFAOYSA-N -1 3 381.437 0.467 20 0 GCADHM Cc1nc(CNC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000822444155 599448734 /nfs/dbraw/zinc/44/87/34/599448734.db2.gz DMOQHPZWRCOHBV-UHFFFAOYSA-N -1 3 383.416 0.980 20 0 GCADHM Cc1nc(CNC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000822444155 599448736 /nfs/dbraw/zinc/44/87/36/599448736.db2.gz DMOQHPZWRCOHBV-UHFFFAOYSA-N -1 3 383.416 0.980 20 0 GCADHM CN(C1CC1)S(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736779019 599449322 /nfs/dbraw/zinc/44/93/22/599449322.db2.gz JYCIEEKFICMZHT-UHFFFAOYSA-N -1 3 378.462 0.159 20 0 GCADHM CN(C1CC1)S(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736779019 599449326 /nfs/dbraw/zinc/44/93/26/599449326.db2.gz JYCIEEKFICMZHT-UHFFFAOYSA-N -1 3 378.462 0.159 20 0 GCADHM CN(C1CC1)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736779208 599449715 /nfs/dbraw/zinc/44/97/15/599449715.db2.gz LOCVLZQWWVZBOH-UHFFFAOYSA-N -1 3 381.437 0.467 20 0 GCADHM Cn1cc([C@@H](O)CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822669779 599451137 /nfs/dbraw/zinc/45/11/37/599451137.db2.gz PBROPRVBULOFSD-INIZCTEOSA-N -1 3 385.428 0.999 20 0 GCADHM Cn1cc([C@@H](O)CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822669779 599451140 /nfs/dbraw/zinc/45/11/40/599451140.db2.gz PBROPRVBULOFSD-INIZCTEOSA-N -1 3 385.428 0.999 20 0 GCADHM C[C@@H]1[C@H](C)N(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736229623 599451582 /nfs/dbraw/zinc/45/15/82/599451582.db2.gz OQROPTDNJPMFFS-WDEREUQCSA-N -1 3 385.471 0.204 20 0 GCADHM C[C@@H]1[C@H](C)N(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736229623 599451584 /nfs/dbraw/zinc/45/15/84/599451584.db2.gz OQROPTDNJPMFFS-WDEREUQCSA-N -1 3 385.471 0.204 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000737297899 599452035 /nfs/dbraw/zinc/45/20/35/599452035.db2.gz FCEKTSVXQKWWRI-MNOVXSKESA-N -1 3 385.471 0.371 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000737297899 599452037 /nfs/dbraw/zinc/45/20/37/599452037.db2.gz FCEKTSVXQKWWRI-MNOVXSKESA-N -1 3 385.471 0.371 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000819882985 599453704 /nfs/dbraw/zinc/45/37/04/599453704.db2.gz DHLGJQHNHTZLCN-NWDGAFQWSA-N -1 3 396.473 0.709 20 0 GCADHM NC(=O)NC[C@@H]1CCCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822873832 599454831 /nfs/dbraw/zinc/45/48/31/599454831.db2.gz LWEHICXPQFCVAM-LBPRGKRZSA-N -1 3 388.432 0.335 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCCCn1nc2ccccn2c1=O ZINC000737919817 599456461 /nfs/dbraw/zinc/45/64/61/599456461.db2.gz XSTUJGPXCFVNRR-UHFFFAOYSA-N -1 3 395.379 0.688 20 0 GCADHM CN(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)S(=O)(=O)c1cccs1 ZINC000821602798 607380221 /nfs/dbraw/zinc/38/02/21/607380221.db2.gz VLZLWHOAEUSNDU-UHFFFAOYSA-N -1 3 381.443 0.307 20 0 GCADHM CN(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)S(=O)(=O)c1cccs1 ZINC000821602798 607380222 /nfs/dbraw/zinc/38/02/22/607380222.db2.gz VLZLWHOAEUSNDU-UHFFFAOYSA-N -1 3 381.443 0.307 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822491873 599467055 /nfs/dbraw/zinc/46/70/55/599467055.db2.gz HVIGXNVIDXEGTR-NSHDSACASA-N -1 3 396.455 0.694 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822491873 599467058 /nfs/dbraw/zinc/46/70/58/599467058.db2.gz HVIGXNVIDXEGTR-NSHDSACASA-N -1 3 396.455 0.694 20 0 GCADHM NC(=O)NC[C@H]1CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000822873532 599467304 /nfs/dbraw/zinc/46/73/04/599467304.db2.gz FDCBEWDJHWLSBF-SNVBAGLBSA-N -1 3 376.396 0.596 20 0 GCADHM NC(=O)NC[C@H]1CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000822873532 599467306 /nfs/dbraw/zinc/46/73/06/599467306.db2.gz FDCBEWDJHWLSBF-SNVBAGLBSA-N -1 3 376.396 0.596 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000738316114 599471098 /nfs/dbraw/zinc/47/10/98/599471098.db2.gz PWUCUPMLQJTMLU-GOSISDBHSA-N -1 3 399.411 0.226 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000738316114 599471100 /nfs/dbraw/zinc/47/11/00/599471100.db2.gz PWUCUPMLQJTMLU-GOSISDBHSA-N -1 3 399.411 0.226 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1cccc(-n2cccn2)n1 ZINC000738078200 599471202 /nfs/dbraw/zinc/47/12/02/599471202.db2.gz OOOIYNAUASUQED-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cccc(-n2cccn2)n1 ZINC000738078200 599471204 /nfs/dbraw/zinc/47/12/04/599471204.db2.gz OOOIYNAUASUQED-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM CSC1(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000821950714 599472397 /nfs/dbraw/zinc/47/23/97/599472397.db2.gz PZAYQUVLYPPEAD-UHFFFAOYSA-N -1 3 390.469 0.625 20 0 GCADHM CSC1(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000821950714 599472400 /nfs/dbraw/zinc/47/24/00/599472400.db2.gz PZAYQUVLYPPEAD-UHFFFAOYSA-N -1 3 390.469 0.625 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCCN(C)S(C)(=O)=O ZINC000822204578 599474622 /nfs/dbraw/zinc/47/46/22/599474622.db2.gz TXIJOYMVPFARQX-UHFFFAOYSA-N -1 3 393.448 0.978 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCCN(C)S(C)(=O)=O ZINC000822204578 599474623 /nfs/dbraw/zinc/47/46/23/599474623.db2.gz TXIJOYMVPFARQX-UHFFFAOYSA-N -1 3 393.448 0.978 20 0 GCADHM C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348434 599485798 /nfs/dbraw/zinc/48/57/98/599485798.db2.gz CHDVQGOLRQRRND-NSHDSACASA-N -1 3 379.446 0.215 20 0 GCADHM C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348434 599485800 /nfs/dbraw/zinc/48/58/00/599485800.db2.gz CHDVQGOLRQRRND-NSHDSACASA-N -1 3 379.446 0.215 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cc(-n2cccn2)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737624 599497741 /nfs/dbraw/zinc/49/77/41/599497741.db2.gz BGAWWYUXOAMLLR-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cc(-n2cccn2)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737624 599497743 /nfs/dbraw/zinc/49/77/43/599497743.db2.gz BGAWWYUXOAMLLR-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM C[C@H](COCC(F)(F)F)Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000820287824 599500382 /nfs/dbraw/zinc/50/03/82/599500382.db2.gz QMKJHANENOJACQ-SSDOTTSWSA-N -1 3 380.352 0.893 20 0 GCADHM C[C@H](COCC(F)(F)F)Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000820287824 599500383 /nfs/dbraw/zinc/50/03/83/599500383.db2.gz QMKJHANENOJACQ-SSDOTTSWSA-N -1 3 380.352 0.893 20 0 GCADHM CN1CCO[C@H](CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736868211 599501760 /nfs/dbraw/zinc/50/17/60/599501760.db2.gz RNVMYUIKLJAUDV-SNVBAGLBSA-N -1 3 383.359 0.920 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736225646 599503227 /nfs/dbraw/zinc/50/32/27/599503227.db2.gz QTQGLHWDECQRIP-HGXOIEIDSA-N -1 3 378.462 0.225 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736225646 599503230 /nfs/dbraw/zinc/50/32/30/599503230.db2.gz QTQGLHWDECQRIP-HGXOIEIDSA-N -1 3 378.462 0.225 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736608506 599503261 /nfs/dbraw/zinc/50/32/61/599503261.db2.gz LXQLYOFOPALWAP-INIZCTEOSA-N -1 3 389.460 0.091 20 0 GCADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCN3CCCS3(=O)=O)c2c1 ZINC000822196427 599506737 /nfs/dbraw/zinc/50/67/37/599506737.db2.gz JFJYNCVKUKQEDH-UHFFFAOYSA-N -1 3 387.469 0.901 20 0 GCADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCN3CCCS3(=O)=O)c2c1 ZINC000822196427 599506739 /nfs/dbraw/zinc/50/67/39/599506739.db2.gz JFJYNCVKUKQEDH-UHFFFAOYSA-N -1 3 387.469 0.901 20 0 GCADHM C[S@@](=O)c1cccc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737172024 599506963 /nfs/dbraw/zinc/50/69/63/599506963.db2.gz RDCKRWQGQBCGRC-HHHXNRCGSA-N -1 3 384.421 0.859 20 0 GCADHM C[S@@](=O)c1cccc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737172024 599506965 /nfs/dbraw/zinc/50/69/65/599506965.db2.gz RDCKRWQGQBCGRC-HHHXNRCGSA-N -1 3 384.421 0.859 20 0 GCADHM Cc1ncc(NC(=O)C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cn1 ZINC000737491318 599507411 /nfs/dbraw/zinc/50/74/11/599507411.db2.gz HOBPCXCMDIXLAN-UHFFFAOYSA-N -1 3 398.452 0.953 20 0 GCADHM Cc1ncc(NC(=O)C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cn1 ZINC000737491318 599507413 /nfs/dbraw/zinc/50/74/13/599507413.db2.gz HOBPCXCMDIXLAN-UHFFFAOYSA-N -1 3 398.452 0.953 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1cnc(C)nc1 ZINC000736997463 599509257 /nfs/dbraw/zinc/50/92/57/599509257.db2.gz OQRZDOCEXQREKL-UHFFFAOYSA-N -1 3 396.411 0.579 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1cnc(C)nc1 ZINC000736997463 599509259 /nfs/dbraw/zinc/50/92/59/599509259.db2.gz OQRZDOCEXQREKL-UHFFFAOYSA-N -1 3 396.411 0.579 20 0 GCADHM COc1cc(C)ccc1NC(=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737040820 599509308 /nfs/dbraw/zinc/50/93/08/599509308.db2.gz QMEDGIWUIBNULM-UHFFFAOYSA-N -1 3 396.411 0.746 20 0 GCADHM COc1cc(C)ccc1NC(=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737040820 599509309 /nfs/dbraw/zinc/50/93/09/599509309.db2.gz QMEDGIWUIBNULM-UHFFFAOYSA-N -1 3 396.411 0.746 20 0 GCADHM Cn1ccnc(N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1=O ZINC000822693593 599509410 /nfs/dbraw/zinc/50/94/10/599509410.db2.gz GJMYCAZTNSAREZ-UHFFFAOYSA-N -1 3 380.412 0.816 20 0 GCADHM Cn1ccnc(N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1=O ZINC000822693593 599509413 /nfs/dbraw/zinc/50/94/13/599509413.db2.gz GJMYCAZTNSAREZ-UHFFFAOYSA-N -1 3 380.412 0.816 20 0 GCADHM Cc1noc(C)c1NC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737537882 599510060 /nfs/dbraw/zinc/51/00/60/599510060.db2.gz OTKAYYYSMFWMOM-UHFFFAOYSA-N -1 3 397.399 0.154 20 0 GCADHM Cc1noc(C)c1NC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737537882 599510062 /nfs/dbraw/zinc/51/00/62/599510062.db2.gz OTKAYYYSMFWMOM-UHFFFAOYSA-N -1 3 397.399 0.154 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000737614537 599510197 /nfs/dbraw/zinc/51/01/97/599510197.db2.gz YQMKXIRGOOVTIH-UHFFFAOYSA-N -1 3 396.411 0.609 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000737614537 599510198 /nfs/dbraw/zinc/51/01/98/599510198.db2.gz YQMKXIRGOOVTIH-UHFFFAOYSA-N -1 3 396.411 0.609 20 0 GCADHM COC(=O)CCCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736913088 599511237 /nfs/dbraw/zinc/51/12/37/599511237.db2.gz XVRVQXQTTFSNJQ-UHFFFAOYSA-N -1 3 390.400 0.663 20 0 GCADHM COC(=O)CCCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736913088 599511238 /nfs/dbraw/zinc/51/12/38/599511238.db2.gz XVRVQXQTTFSNJQ-UHFFFAOYSA-N -1 3 390.400 0.663 20 0 GCADHM CCc1nnc2n1C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC2 ZINC000821554964 599511338 /nfs/dbraw/zinc/51/13/38/599511338.db2.gz WKGVSIZZLLKEBT-VIFPVBQESA-N -1 3 389.445 0.095 20 0 GCADHM CCc1nnc2n1C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC2 ZINC000821554964 599511341 /nfs/dbraw/zinc/51/13/41/599511341.db2.gz WKGVSIZZLLKEBT-VIFPVBQESA-N -1 3 389.445 0.095 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[S@@](C)=O ZINC000735904620 599512826 /nfs/dbraw/zinc/51/28/26/599512826.db2.gz SRTKGEMNANMWQH-AREMUKBSSA-N -1 3 380.430 0.087 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[S@@](C)=O ZINC000735904620 599512828 /nfs/dbraw/zinc/51/28/28/599512828.db2.gz SRTKGEMNANMWQH-AREMUKBSSA-N -1 3 380.430 0.087 20 0 GCADHM CC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736314643 599513122 /nfs/dbraw/zinc/51/31/22/599513122.db2.gz FPYZSNLSTYAYKB-QGZVFWFLSA-N -1 3 376.417 0.870 20 0 GCADHM CC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736314643 599513123 /nfs/dbraw/zinc/51/31/23/599513123.db2.gz FPYZSNLSTYAYKB-QGZVFWFLSA-N -1 3 376.417 0.870 20 0 GCADHM Cn1nccc1C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000822710082 599513472 /nfs/dbraw/zinc/51/34/72/599513472.db2.gz YAIGVFBKBRRAFG-UHFFFAOYSA-N -1 3 388.457 0.632 20 0 GCADHM Cn1nccc1C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000822710082 599513474 /nfs/dbraw/zinc/51/34/74/599513474.db2.gz YAIGVFBKBRRAFG-UHFFFAOYSA-N -1 3 388.457 0.632 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCSCCCO ZINC000737056337 599513762 /nfs/dbraw/zinc/51/37/62/599513762.db2.gz CTOJDCBQOWFWIV-UHFFFAOYSA-N -1 3 380.430 0.046 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCSCCCO ZINC000737056337 599513764 /nfs/dbraw/zinc/51/37/64/599513764.db2.gz CTOJDCBQOWFWIV-UHFFFAOYSA-N -1 3 380.430 0.046 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCc2nccn2C1 ZINC000737060085 599513848 /nfs/dbraw/zinc/51/38/48/599513848.db2.gz ZRNYBVSQSFPRPL-NSHDSACASA-N -1 3 382.384 0.142 20 0 GCADHM COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736976900 599513999 /nfs/dbraw/zinc/51/39/99/599513999.db2.gz RORRQPIZJUCKCN-HNNXBMFYSA-N -1 3 382.808 0.362 20 0 GCADHM COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736976900 599514002 /nfs/dbraw/zinc/51/40/02/599514002.db2.gz RORRQPIZJUCKCN-HNNXBMFYSA-N -1 3 382.808 0.362 20 0 GCADHM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736890793 599514136 /nfs/dbraw/zinc/51/41/36/599514136.db2.gz FCPDNTCKJBMBOR-JTQLQIEISA-N -1 3 390.400 0.518 20 0 GCADHM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736890793 599514140 /nfs/dbraw/zinc/51/41/40/599514140.db2.gz FCPDNTCKJBMBOR-JTQLQIEISA-N -1 3 390.400 0.518 20 0 GCADHM O=C(NCCSCCCO)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738085897 599514571 /nfs/dbraw/zinc/51/45/71/599514571.db2.gz PFQGGXZGXWLVFY-UHFFFAOYSA-N -1 3 384.849 0.690 20 0 GCADHM O=C(NCCSCCCO)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738085897 599514572 /nfs/dbraw/zinc/51/45/72/599514572.db2.gz PFQGGXZGXWLVFY-UHFFFAOYSA-N -1 3 384.849 0.690 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCc2nccn2C1 ZINC000738162941 599514679 /nfs/dbraw/zinc/51/46/79/599514679.db2.gz IWFTWHGURWWGIE-JTQLQIEISA-N -1 3 386.803 0.786 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCc2nccn2C1 ZINC000738162941 599514681 /nfs/dbraw/zinc/51/46/81/599514681.db2.gz IWFTWHGURWWGIE-JTQLQIEISA-N -1 3 386.803 0.786 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)Nc1cccnc1 ZINC000737889431 599515149 /nfs/dbraw/zinc/51/51/49/599515149.db2.gz NAOITXKLARHKKZ-UHFFFAOYSA-N -1 3 384.331 0.094 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)Nc1cccnc1 ZINC000737889431 599515151 /nfs/dbraw/zinc/51/51/51/599515151.db2.gz NAOITXKLARHKKZ-UHFFFAOYSA-N -1 3 384.331 0.094 20 0 GCADHM COC(=O)N1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821664713 599516322 /nfs/dbraw/zinc/51/63/22/599516322.db2.gz GCLAIGQUAKYHCY-VIFPVBQESA-N -1 3 381.418 0.157 20 0 GCADHM COC(=O)N1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821664713 599516323 /nfs/dbraw/zinc/51/63/23/599516323.db2.gz GCLAIGQUAKYHCY-VIFPVBQESA-N -1 3 381.418 0.157 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@](C)(O)C(C)C ZINC000736637246 599516730 /nfs/dbraw/zinc/51/67/30/599516730.db2.gz USOCRXQPSKULPC-KRWDZBQOSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@](C)(O)C(C)C ZINC000736637246 599516731 /nfs/dbraw/zinc/51/67/31/599516731.db2.gz USOCRXQPSKULPC-KRWDZBQOSA-N -1 3 376.417 0.727 20 0 GCADHM CCC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736417421 599517027 /nfs/dbraw/zinc/51/70/27/599517027.db2.gz RRGPHEOACPAQFU-KRWDZBQOSA-N -1 3 376.417 0.871 20 0 GCADHM CCC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736417421 599517030 /nfs/dbraw/zinc/51/70/30/599517030.db2.gz RRGPHEOACPAQFU-KRWDZBQOSA-N -1 3 376.417 0.871 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819803259 599518443 /nfs/dbraw/zinc/51/84/43/599518443.db2.gz MADYIYHEJBPYSF-NHYWBVRUSA-N -1 3 385.428 0.171 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819803259 599518445 /nfs/dbraw/zinc/51/84/45/599518445.db2.gz MADYIYHEJBPYSF-NHYWBVRUSA-N -1 3 385.428 0.171 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N=c1cc[nH]c(C(=O)N(C)C)c1 ZINC000737301110 599518562 /nfs/dbraw/zinc/51/85/62/599518562.db2.gz HTBCKALXZDEKDA-UHFFFAOYSA-N -1 3 387.425 0.495 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N=c1cc[nH]c(C(=O)N(C)C)c1 ZINC000737301110 599518565 /nfs/dbraw/zinc/51/85/65/599518565.db2.gz HTBCKALXZDEKDA-UHFFFAOYSA-N -1 3 387.425 0.495 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819803261 599518637 /nfs/dbraw/zinc/51/86/37/599518637.db2.gz MADYIYHEJBPYSF-XHDPSFHLSA-N -1 3 385.428 0.171 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819803261 599518638 /nfs/dbraw/zinc/51/86/38/599518638.db2.gz MADYIYHEJBPYSF-XHDPSFHLSA-N -1 3 385.428 0.171 20 0 GCADHM C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335361 599522257 /nfs/dbraw/zinc/52/22/57/599522257.db2.gz WXASNCYTWDIRPO-NSHDSACASA-N -1 3 386.437 0.934 20 0 GCADHM C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335361 599522258 /nfs/dbraw/zinc/52/22/58/599522258.db2.gz WXASNCYTWDIRPO-NSHDSACASA-N -1 3 386.437 0.934 20 0 GCADHM CC(=O)N1CCC(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000819789531 599527975 /nfs/dbraw/zinc/52/79/75/599527975.db2.gz SMLMPJNNDIHLQI-UHFFFAOYSA-N -1 3 379.446 0.185 20 0 GCADHM CC(=O)N1CCC(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000819789531 599527977 /nfs/dbraw/zinc/52/79/77/599527977.db2.gz SMLMPJNNDIHLQI-UHFFFAOYSA-N -1 3 379.446 0.185 20 0 GCADHM c1cc(-c2nnn[n-]2)nc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 ZINC000738412713 599538395 /nfs/dbraw/zinc/53/83/95/599538395.db2.gz LUSHLZTWRZZSDU-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM c1cc(-c2nn[n-]n2)nc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 ZINC000738412713 599538397 /nfs/dbraw/zinc/53/83/97/599538397.db2.gz LUSHLZTWRZZSDU-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM C[C@@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329540 599538662 /nfs/dbraw/zinc/53/86/62/599538662.db2.gz XJORTPJKYZCZBZ-OLZOCXBDSA-N -1 3 382.428 0.960 20 0 GCADHM C[C@@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329540 599538664 /nfs/dbraw/zinc/53/86/64/599538664.db2.gz XJORTPJKYZCZBZ-OLZOCXBDSA-N -1 3 382.428 0.960 20 0 GCADHM O[C@@H](COc1ccccc1)CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000823699966 599540681 /nfs/dbraw/zinc/54/06/81/599540681.db2.gz YPEZAZLBHFUCCN-OAHLLOKOSA-N -1 3 381.440 0.824 20 0 GCADHM O[C@@H](COc1ccccc1)CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000823699966 599540683 /nfs/dbraw/zinc/54/06/83/599540683.db2.gz YPEZAZLBHFUCCN-OAHLLOKOSA-N -1 3 381.440 0.824 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000737033460 599558662 /nfs/dbraw/zinc/55/86/62/599558662.db2.gz PKBZXRUQEFVQLG-UHFFFAOYSA-N -1 3 393.367 0.869 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000737033460 599558664 /nfs/dbraw/zinc/55/86/64/599558664.db2.gz PKBZXRUQEFVQLG-UHFFFAOYSA-N -1 3 393.367 0.869 20 0 GCADHM CN1CC[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736853866 599559418 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/nfs/dbraw/zinc/59/99/16/599599916.db2.gz YPQATVCJEDREHC-UHFFFAOYSA-N -1 3 397.439 0.631 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(NC(=O)C(C)C)CC2)c1-c1nnn[n-]1 ZINC000822309322 599601057 /nfs/dbraw/zinc/60/10/57/599601057.db2.gz USNUMIXDLVYKLZ-UHFFFAOYSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(NC(=O)C(C)C)CC2)c1-c1nn[n-]n1 ZINC000822309322 599601059 /nfs/dbraw/zinc/60/10/59/599601059.db2.gz USNUMIXDLVYKLZ-UHFFFAOYSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1nn(C)c(C)c1CN(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737508938 599601597 /nfs/dbraw/zinc/60/15/97/599601597.db2.gz FAKDVRGUDPUIPP-UHFFFAOYSA-N -1 3 384.448 0.866 20 0 GCADHM Cc1nn(C)c(C)c1CN(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737508938 599601599 /nfs/dbraw/zinc/60/15/99/599601599.db2.gz FAKDVRGUDPUIPP-UHFFFAOYSA-N -1 3 384.448 0.866 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](c3nncn3C)C2)c1-c1nnn[n-]1 ZINC000822315008 599601877 /nfs/dbraw/zinc/60/18/77/599601877.db2.gz XRNLPNVNZDLGEG-LBPRGKRZSA-N -1 3 395.427 0.648 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](c3nncn3C)C2)c1-c1nn[n-]n1 ZINC000822315008 599601879 /nfs/dbraw/zinc/60/18/79/599601879.db2.gz XRNLPNVNZDLGEG-LBPRGKRZSA-N -1 3 395.427 0.648 20 0 GCADHM COC(=O)N1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000821664681 599602130 /nfs/dbraw/zinc/60/21/30/599602130.db2.gz DYSIQHHUILADBA-UHFFFAOYSA-N -1 3 387.400 0.461 20 0 GCADHM COC(=O)N1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000821664681 599602132 /nfs/dbraw/zinc/60/21/32/599602132.db2.gz DYSIQHHUILADBA-UHFFFAOYSA-N -1 3 387.400 0.461 20 0 GCADHM CC(=O)NCC1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000819802490 599602403 /nfs/dbraw/zinc/60/24/03/599602403.db2.gz DIMZAQFOUYDGNG-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CC(=O)NCC1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000819802490 599602405 /nfs/dbraw/zinc/60/24/05/599602405.db2.gz DIMZAQFOUYDGNG-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CN1CC[C@H](NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1=O ZINC000736855176 599602560 /nfs/dbraw/zinc/60/25/60/599602560.db2.gz JGCGEGMHVBJXCL-HNNXBMFYSA-N -1 3 385.428 0.650 20 0 GCADHM CN1CC[C@H](NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1=O ZINC000736855176 599602561 /nfs/dbraw/zinc/60/25/61/599602561.db2.gz JGCGEGMHVBJXCL-HNNXBMFYSA-N -1 3 385.428 0.650 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822315090 599602865 /nfs/dbraw/zinc/60/28/65/599602865.db2.gz ZCKARYXLIHVRKJ-JTQLQIEISA-N -1 3 397.361 0.866 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000822315090 599602868 /nfs/dbraw/zinc/60/28/68/599602868.db2.gz ZCKARYXLIHVRKJ-JTQLQIEISA-N -1 3 397.361 0.866 20 0 GCADHM CN1CC[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)C1=O ZINC000736855477 599603041 /nfs/dbraw/zinc/60/30/41/599603041.db2.gz KXUVRPLATNPNBN-ZDUSSCGKSA-N -1 3 388.407 0.068 20 0 GCADHM O=C(NCCn1cccn1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823229507 599603215 /nfs/dbraw/zinc/60/32/15/599603215.db2.gz VREKNSRLNNZOLB-UHFFFAOYSA-N -1 3 392.326 0.420 20 0 GCADHM O=C(NCCn1cccn1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823229507 599603217 /nfs/dbraw/zinc/60/32/17/599603217.db2.gz VREKNSRLNNZOLB-UHFFFAOYSA-N -1 3 392.326 0.420 20 0 GCADHM COCCOCCCCNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821691945 599603940 /nfs/dbraw/zinc/60/39/40/599603940.db2.gz KQRKLPKXEPGOJF-UHFFFAOYSA-N -1 3 376.417 0.673 20 0 GCADHM COCCOCCCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821691945 599603941 /nfs/dbraw/zinc/60/39/41/599603941.db2.gz KQRKLPKXEPGOJF-UHFFFAOYSA-N -1 3 376.417 0.673 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000822319127 599604454 /nfs/dbraw/zinc/60/44/54/599604454.db2.gz JQEYXIWWVGPSDH-AWEZNQCLSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000822319127 599604456 /nfs/dbraw/zinc/60/44/56/599604456.db2.gz JQEYXIWWVGPSDH-AWEZNQCLSA-N -1 3 380.408 0.833 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000738041271 599604892 /nfs/dbraw/zinc/60/48/92/599604892.db2.gz ZYOOWHSQKWUEOU-ZDUSSCGKSA-N -1 3 395.427 0.127 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](Cn2cncn2)C1 ZINC000738041271 599604893 /nfs/dbraw/zinc/60/48/93/599604893.db2.gz ZYOOWHSQKWUEOU-ZDUSSCGKSA-N -1 3 395.427 0.127 20 0 GCADHM CC1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)COC1 ZINC000820612513 599605305 /nfs/dbraw/zinc/60/53/05/599605305.db2.gz GJGWBCATWRENDF-UHFFFAOYSA-N -1 3 384.318 0.977 20 0 GCADHM CC1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)COC1 ZINC000820612513 599605307 /nfs/dbraw/zinc/60/53/07/599605307.db2.gz GJGWBCATWRENDF-UHFFFAOYSA-N -1 3 384.318 0.977 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000821400854 599608398 /nfs/dbraw/zinc/60/83/98/599608398.db2.gz QMFWQDKXWMPRIU-WCQYABFASA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H](O)C1 ZINC000821400854 599608400 /nfs/dbraw/zinc/60/84/00/599608400.db2.gz QMFWQDKXWMPRIU-WCQYABFASA-N -1 3 388.428 0.871 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCC(=O)OC(C)(C)C ZINC000821756307 599608636 /nfs/dbraw/zinc/60/86/36/599608636.db2.gz NLWMAUSEBUXTML-UHFFFAOYSA-N -1 3 390.400 0.662 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCC(=O)OC(C)(C)C ZINC000821756307 599608638 /nfs/dbraw/zinc/60/86/38/599608638.db2.gz NLWMAUSEBUXTML-UHFFFAOYSA-N -1 3 390.400 0.662 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000821400853 599608763 /nfs/dbraw/zinc/60/87/63/599608763.db2.gz QMFWQDKXWMPRIU-DGCLKSJQSA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H](O)C1 ZINC000821400853 599608765 /nfs/dbraw/zinc/60/87/65/599608765.db2.gz QMFWQDKXWMPRIU-DGCLKSJQSA-N -1 3 388.428 0.871 20 0 GCADHM CCOC(=O)C1(CNC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CCC1 ZINC000821320919 599608855 /nfs/dbraw/zinc/60/88/55/599608855.db2.gz QHSFLJJYWRQWJB-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM CCOC(=O)C1(CNC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CCC1 ZINC000821320919 599608856 /nfs/dbraw/zinc/60/88/56/599608856.db2.gz QHSFLJJYWRQWJB-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCCS(=O)(=O)CC1 ZINC000736633529 599610448 /nfs/dbraw/zinc/61/04/48/599610448.db2.gz CKEWJMAUBONNSR-UHFFFAOYSA-N -1 3 380.430 0.918 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCCS(=O)(=O)CC1 ZINC000736633529 599610446 /nfs/dbraw/zinc/61/04/46/599610446.db2.gz CKEWJMAUBONNSR-UHFFFAOYSA-N -1 3 380.430 0.918 20 0 GCADHM Cc1nc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000822440686 599610924 /nfs/dbraw/zinc/61/09/24/599610924.db2.gz OMTVHMYBBKEBMM-UHFFFAOYSA-N -1 3 396.289 0.832 20 0 GCADHM Cc1nc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000822440686 599610926 /nfs/dbraw/zinc/61/09/26/599610926.db2.gz OMTVHMYBBKEBMM-UHFFFAOYSA-N -1 3 396.289 0.832 20 0 GCADHM Cc1nc(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)no1 ZINC000822439846 599610961 /nfs/dbraw/zinc/61/09/61/599610961.db2.gz DSMYYTARCSDASL-UHFFFAOYSA-N -1 3 386.372 0.600 20 0 GCADHM Cc1nc(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)no1 ZINC000822439846 599610962 /nfs/dbraw/zinc/61/09/62/599610962.db2.gz DSMYYTARCSDASL-UHFFFAOYSA-N -1 3 386.372 0.600 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)COCCOC ZINC000821400604 599611807 /nfs/dbraw/zinc/61/18/07/599611807.db2.gz MGEKRWKVTLPKKR-LLVKDONJSA-N -1 3 392.416 0.372 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)COCCOC ZINC000821400604 599611808 /nfs/dbraw/zinc/61/18/08/599611808.db2.gz MGEKRWKVTLPKKR-LLVKDONJSA-N -1 3 392.416 0.372 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC(Cn2cccn2)CC1 ZINC000738077604 599613517 /nfs/dbraw/zinc/61/35/17/599613517.db2.gz HAOKTPBETLLHLT-UHFFFAOYSA-N -1 3 396.459 0.992 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC(Cn2cccn2)CC1 ZINC000738077604 599613518 /nfs/dbraw/zinc/61/35/18/599613518.db2.gz HAOKTPBETLLHLT-UHFFFAOYSA-N -1 3 396.459 0.992 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000735943530 599615740 /nfs/dbraw/zinc/61/57/40/599615740.db2.gz TZKZTFPWJAJJNO-CYBMUJFWSA-N -1 3 395.427 0.651 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000735943530 599615741 /nfs/dbraw/zinc/61/57/41/599615741.db2.gz TZKZTFPWJAJJNO-CYBMUJFWSA-N -1 3 395.427 0.651 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1c(C)nn(C)c1C ZINC000821755581 599615967 /nfs/dbraw/zinc/61/59/67/599615967.db2.gz HUNHFORZWDVBMR-UHFFFAOYSA-N -1 3 384.400 0.481 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1c(C)nn(C)c1C ZINC000821755581 599615969 /nfs/dbraw/zinc/61/59/69/599615969.db2.gz HUNHFORZWDVBMR-UHFFFAOYSA-N -1 3 384.400 0.481 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1c(C)nn(C)c1C ZINC000821399879 599616088 /nfs/dbraw/zinc/61/60/88/599616088.db2.gz DIIRUDSRFKZNBZ-UHFFFAOYSA-N -1 3 398.427 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1c(C)nn(C)c1C ZINC000821399879 599616089 /nfs/dbraw/zinc/61/60/89/599616089.db2.gz DIIRUDSRFKZNBZ-UHFFFAOYSA-N -1 3 398.427 0.871 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821692178 599616132 /nfs/dbraw/zinc/61/61/32/599616132.db2.gz PZANHAISTZDTGE-LLVKDONJSA-N -1 3 392.391 0.456 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821692178 599616133 /nfs/dbraw/zinc/61/61/33/599616133.db2.gz PZANHAISTZDTGE-LLVKDONJSA-N -1 3 392.391 0.456 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000737058341 599616220 /nfs/dbraw/zinc/61/62/20/599616220.db2.gz VYNAZLHERUJTQP-AWEZNQCLSA-N -1 3 387.444 0.612 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@](C)(O)CSC ZINC000737059219 599616374 /nfs/dbraw/zinc/61/63/74/599616374.db2.gz SGNKSQJZHIIZQS-OAHLLOKOSA-N -1 3 380.430 0.044 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)CSC ZINC000737059219 599616375 /nfs/dbraw/zinc/61/63/75/599616375.db2.gz SGNKSQJZHIIZQS-OAHLLOKOSA-N -1 3 380.430 0.044 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1-c1nnn[n-]1 ZINC000822309150 599616658 /nfs/dbraw/zinc/61/66/58/599616658.db2.gz NTJKWZOFPDDGHF-UHFFFAOYSA-N -1 3 399.455 0.971 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c1-c1nn[n-]n1 ZINC000822309150 599616661 /nfs/dbraw/zinc/61/66/61/599616661.db2.gz NTJKWZOFPDDGHF-UHFFFAOYSA-N -1 3 399.455 0.971 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000737055435 599616676 /nfs/dbraw/zinc/61/66/76/599616676.db2.gz FYCOAHKKOUULLP-ZDUSSCGKSA-N -1 3 396.411 0.702 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313345 599618056 /nfs/dbraw/zinc/61/80/56/599618056.db2.gz CZJHMKUTYAXPEB-SECBINFHSA-N -1 3 397.370 0.921 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313345 599618058 /nfs/dbraw/zinc/61/80/58/599618058.db2.gz CZJHMKUTYAXPEB-SECBINFHSA-N -1 3 397.370 0.921 20 0 GCADHM C[C@@H](C(=O)OCCn1ncc(-c2nnn[n-]2)c1N)n1nnc(-c2ccccc2)n1 ZINC000819883589 599621857 /nfs/dbraw/zinc/62/18/57/599621857.db2.gz ILXRPUNZPJJQLY-JTQLQIEISA-N -1 3 395.387 0.103 20 0 GCADHM C[C@@H](C(=O)OCCn1ncc(-c2nn[n-]n2)c1N)n1nnc(-c2ccccc2)n1 ZINC000819883589 599621858 /nfs/dbraw/zinc/62/18/58/599621858.db2.gz ILXRPUNZPJJQLY-JTQLQIEISA-N -1 3 395.387 0.103 20 0 GCADHM O=C(CCN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964929 599638808 /nfs/dbraw/zinc/63/88/08/599638808.db2.gz TXEFZFFQVGYQDO-HNNXBMFYSA-N -1 3 390.469 0.847 20 0 GCADHM Cn1ccc(N2CCC[C@H](OC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822690441 599648454 /nfs/dbraw/zinc/64/84/54/599648454.db2.gz YYGKTHIOGWVSAA-AWEZNQCLSA-N -1 3 397.395 0.718 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000820542714 599651679 /nfs/dbraw/zinc/65/16/79/599651679.db2.gz QXMLGQSPBVWFSP-LLVKDONJSA-N -1 3 381.396 0.313 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000820542714 599651680 /nfs/dbraw/zinc/65/16/80/599651680.db2.gz QXMLGQSPBVWFSP-LLVKDONJSA-N -1 3 381.396 0.313 20 0 GCADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000822978590 599652347 /nfs/dbraw/zinc/65/23/47/599652347.db2.gz NAQRBZGNJCBKPA-SCLBCKFNSA-N -1 3 383.412 0.294 20 0 GCADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000822978590 599652348 /nfs/dbraw/zinc/65/23/48/599652348.db2.gz NAQRBZGNJCBKPA-SCLBCKFNSA-N -1 3 383.412 0.294 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000822928556 599652531 /nfs/dbraw/zinc/65/25/31/599652531.db2.gz KAGRJLNQQBQBJD-IBYYOGEZSA-N -1 3 381.396 0.374 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000822928556 599652532 /nfs/dbraw/zinc/65/25/32/599652532.db2.gz KAGRJLNQQBQBJD-IBYYOGEZSA-N -1 3 381.396 0.374 20 0 GCADHM Cc1cnc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822395135 599656883 /nfs/dbraw/zinc/65/68/83/599656883.db2.gz SERDCLPGEJZRFJ-UHFFFAOYSA-N -1 3 377.382 0.821 20 0 GCADHM Cc1cnc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822395135 599656884 /nfs/dbraw/zinc/65/68/84/599656884.db2.gz SERDCLPGEJZRFJ-UHFFFAOYSA-N -1 3 377.382 0.821 20 0 GCADHM Cn1ccc(N2CCC[C@H](OC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000822688933 599657453 /nfs/dbraw/zinc/65/74/53/599657453.db2.gz DZVPKLRLOBBUEV-AWEZNQCLSA-N -1 3 397.395 0.718 20 0 GCADHM Cn1ccc(N2CCC[C@H](OC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000822688933 599657454 /nfs/dbraw/zinc/65/74/54/599657454.db2.gz DZVPKLRLOBBUEV-AWEZNQCLSA-N -1 3 397.395 0.718 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)C(=O)NC(N)=O ZINC000820486407 599657773 /nfs/dbraw/zinc/65/77/73/599657773.db2.gz BDENPBOEGXULGQ-JOYOIKCWSA-N -1 3 376.373 0.397 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)C(=O)NC(N)=O ZINC000820486407 599657774 /nfs/dbraw/zinc/65/77/74/599657774.db2.gz BDENPBOEGXULGQ-JOYOIKCWSA-N -1 3 376.373 0.397 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCN1C(=O)NC2(CCCC2)C1=O ZINC000823078968 599659926 /nfs/dbraw/zinc/65/99/26/599659926.db2.gz ZLAISKPAMGRHSP-UHFFFAOYSA-N -1 3 384.396 0.817 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCN1C(=O)NC2(CCCC2)C1=O ZINC000823078968 599659927 /nfs/dbraw/zinc/65/99/27/599659927.db2.gz ZLAISKPAMGRHSP-UHFFFAOYSA-N -1 3 384.396 0.817 20 0 GCADHM CC(C)CC(=O)NCCC(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820050987 599663731 /nfs/dbraw/zinc/66/37/31/599663731.db2.gz IJVVWNDAUKVZGG-UHFFFAOYSA-N -1 3 388.428 0.579 20 0 GCADHM CC(C)CC(=O)NCCC(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820050987 599663732 /nfs/dbraw/zinc/66/37/32/599663732.db2.gz IJVVWNDAUKVZGG-UHFFFAOYSA-N -1 3 388.428 0.579 20 0 GCADHM COC[C@](C)(O)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000821681478 599666312 /nfs/dbraw/zinc/66/63/12/599666312.db2.gz LSMRFONYGYAOSM-BCTVWOGZSA-N -1 3 395.441 0.685 20 0 GCADHM COC[C@](C)(O)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000821681478 599666313 /nfs/dbraw/zinc/66/63/13/599666313.db2.gz LSMRFONYGYAOSM-BCTVWOGZSA-N -1 3 395.441 0.685 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F 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HZKRZJOJELVZTE-UHFFFAOYSA-N -1 3 384.404 0.421 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000823232995 599678741 /nfs/dbraw/zinc/67/87/41/599678741.db2.gz CUIAXLHYGRNQIS-CQSZACIVSA-N -1 3 386.391 0.813 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000823232995 599678742 /nfs/dbraw/zinc/67/87/42/599678742.db2.gz CUIAXLHYGRNQIS-CQSZACIVSA-N -1 3 386.391 0.813 20 0 GCADHM C[C@]1(C2CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)NC(=O)NC1=O ZINC000820612448 599692189 /nfs/dbraw/zinc/69/21/89/599692189.db2.gz DWJADTZLTWKXCI-LJQANCHMSA-N -1 3 397.439 0.636 20 0 GCADHM C[C@]1(C2CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)NC(=O)NC1=O ZINC000820612448 599692190 /nfs/dbraw/zinc/69/21/90/599692190.db2.gz DWJADTZLTWKXCI-LJQANCHMSA-N -1 3 397.439 0.636 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000819933476 599692598 /nfs/dbraw/zinc/69/25/98/599692598.db2.gz SVKZTLSOUZOHEU-KBPBESRZSA-N -1 3 388.428 0.853 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000819933476 599692599 /nfs/dbraw/zinc/69/25/99/599692599.db2.gz SVKZTLSOUZOHEU-KBPBESRZSA-N -1 3 388.428 0.853 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](OC)C(C)C ZINC000821401664 599693486 /nfs/dbraw/zinc/69/34/86/599693486.db2.gz YWSXULXHDOOBIW-AWEZNQCLSA-N -1 3 376.417 0.991 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](OC)C(C)C ZINC000821401664 599693487 /nfs/dbraw/zinc/69/34/87/599693487.db2.gz YWSXULXHDOOBIW-AWEZNQCLSA-N -1 3 376.417 0.991 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000820735110 599694296 /nfs/dbraw/zinc/69/42/96/599694296.db2.gz QFSONDGUEIBYQC-KCJUWKMLSA-N -1 3 384.318 0.983 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000820735110 599694297 /nfs/dbraw/zinc/69/42/97/599694297.db2.gz QFSONDGUEIBYQC-KCJUWKMLSA-N -1 3 384.318 0.983 20 0 GCADHM CC(C)OCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000820145581 599694425 /nfs/dbraw/zinc/69/44/25/599694425.db2.gz BAXWGMNUUUSZTA-UHFFFAOYSA-N -1 3 398.464 0.737 20 0 GCADHM CC(C)OCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000820145581 599694426 /nfs/dbraw/zinc/69/44/26/599694426.db2.gz BAXWGMNUUUSZTA-UHFFFAOYSA-N -1 3 398.464 0.737 20 0 GCADHM Cc1cc(C)c(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c(=O)[nH]1 ZINC000822194164 599696181 /nfs/dbraw/zinc/69/61/81/599696181.db2.gz LHAPODLDRKKNPX-UHFFFAOYSA-N -1 3 380.412 0.942 20 0 GCADHM Cc1cc(C)c(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c(=O)[nH]1 ZINC000822194164 599696182 /nfs/dbraw/zinc/69/61/82/599696182.db2.gz LHAPODLDRKKNPX-UHFFFAOYSA-N -1 3 380.412 0.942 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](O)C1CCOCC1 ZINC000821689965 599696920 /nfs/dbraw/zinc/69/69/20/599696920.db2.gz UDCDBJYARLQSSL-MRXNPFEDSA-N -1 3 375.429 0.629 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](O)C1CCOCC1 ZINC000821689965 599696921 /nfs/dbraw/zinc/69/69/21/599696921.db2.gz UDCDBJYARLQSSL-MRXNPFEDSA-N -1 3 375.429 0.629 20 0 GCADHM COC(=O)[C@H]1CCC[C@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000821655838 599697855 /nfs/dbraw/zinc/69/78/55/599697855.db2.gz SHHUIJLPXKGHSN-KBPBESRZSA-N -1 3 399.455 0.890 20 0 GCADHM COC(=O)[C@H]1CCC[C@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821655838 599697856 /nfs/dbraw/zinc/69/78/56/599697856.db2.gz SHHUIJLPXKGHSN-KBPBESRZSA-N -1 3 399.455 0.890 20 0 GCADHM O=C(Cn1ccnc1)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823308858 599699458 /nfs/dbraw/zinc/69/94/58/599699458.db2.gz LDHSNUWJWIIZBV-CYBMUJFWSA-N -1 3 384.425 0.603 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000826251722 607388385 /nfs/dbraw/zinc/38/83/85/607388385.db2.gz YQINOXWGIXKPCS-UHFFFAOYSA-N -1 3 387.396 0.697 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000826251722 607388387 /nfs/dbraw/zinc/38/83/87/607388387.db2.gz YQINOXWGIXKPCS-UHFFFAOYSA-N -1 3 387.396 0.697 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)N1CCCCC1 ZINC000025383647 607393236 /nfs/dbraw/zinc/39/32/36/607393236.db2.gz PAGFKXHQWHHCQX-UHFFFAOYSA-N -1 3 383.456 0.637 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1)N1CCCCC1 ZINC000025383647 607393238 /nfs/dbraw/zinc/39/32/38/607393238.db2.gz PAGFKXHQWHHCQX-UHFFFAOYSA-N -1 3 383.456 0.637 20 0 GCADHM CC(C)N1CCCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)CC1 ZINC000736475739 599791756 /nfs/dbraw/zinc/79/17/56/599791756.db2.gz YYKCLMAQYJLBJC-MRXNPFEDSA-N -1 3 375.425 0.808 20 0 GCADHM O=C(CN1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1)N1CCCCC1 ZINC000822997311 607394489 /nfs/dbraw/zinc/39/44/89/607394489.db2.gz OXKKTHDCXQXWJT-UHFFFAOYSA-N -1 3 383.456 0.637 20 0 GCADHM O=C(CN1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1)N1CCCCC1 ZINC000822997311 607394490 /nfs/dbraw/zinc/39/44/90/607394490.db2.gz OXKKTHDCXQXWJT-UHFFFAOYSA-N -1 3 383.456 0.637 20 0 GCADHM CN(C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)CCO1)c1cccnn1 ZINC000821598240 607395622 /nfs/dbraw/zinc/39/56/22/607395622.db2.gz WASLQSCTODPVCF-GFCCVEGCSA-N 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GOYVWIHQRWVCMY-IINYFYTJSA-N -1 3 377.397 0.566 20 0 GCADHM COC(=O)C1(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CCCC1 ZINC000826124211 607521588 /nfs/dbraw/zinc/52/15/88/607521588.db2.gz PXTAHHIWWODNAQ-UHFFFAOYSA-N -1 3 380.430 0.659 20 0 GCADHM COC(=O)C1(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CCCC1 ZINC000826124211 607521589 /nfs/dbraw/zinc/52/15/89/607521589.db2.gz PXTAHHIWWODNAQ-UHFFFAOYSA-N -1 3 380.430 0.659 20 0 GCADHM CS(=O)(=O)NCCC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000832694860 601728029 /nfs/dbraw/zinc/72/80/29/601728029.db2.gz LBXFLENBEGDEOD-KRWDZBQOSA-N -1 3 383.470 0.161 20 0 GCADHM O=C(CN1CCC(N2CCCNC2=O)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826410259 607525892 /nfs/dbraw/zinc/52/58/92/607525892.db2.gz HZIABNLFSIUZAM-UHFFFAOYSA-N -1 3 384.444 0.685 20 0 GCADHM O=C(CN1CCC(N2CCCNC2=O)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826410259 607525894 /nfs/dbraw/zinc/52/58/94/607525894.db2.gz HZIABNLFSIUZAM-UHFFFAOYSA-N -1 3 384.444 0.685 20 0 GCADHM COC(=O)[C@H](O)C1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000826112221 607526220 /nfs/dbraw/zinc/52/62/20/607526220.db2.gz VFVKOKAFQPOXIN-CQSZACIVSA-N -1 3 392.416 0.261 20 0 GCADHM COC(=O)[C@H](O)C1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000826112221 607526221 /nfs/dbraw/zinc/52/62/21/607526221.db2.gz VFVKOKAFQPOXIN-CQSZACIVSA-N -1 3 392.416 0.261 20 0 GCADHM CCN1CCO[C@H](C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000829781208 601776759 /nfs/dbraw/zinc/77/67/59/601776759.db2.gz RCGFIAMHSKIKJS-PXNSSMCTSA-N -1 3 375.469 0.943 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833043027 601777318 /nfs/dbraw/zinc/77/73/18/601777318.db2.gz XRXAJNUUGIOQIU-HXUWFJFHSA-N -1 3 384.436 0.973 20 0 GCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC000833089910 601777330 /nfs/dbraw/zinc/77/73/30/601777330.db2.gz GIWACLQKTGAMJC-GOSISDBHSA-N -1 3 387.396 0.319 20 0 GCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833089910 601777332 /nfs/dbraw/zinc/77/73/32/601777332.db2.gz GIWACLQKTGAMJC-GOSISDBHSA-N -1 3 387.396 0.319 20 0 GCADHM C[C@@H](NS(C)(=O)=O)C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827767561 601777808 /nfs/dbraw/zinc/77/78/08/601777808.db2.gz CXDARMQXSRMRAH-CXAGYDPISA-N -1 3 383.470 0.160 20 0 GCADHM Cn1cc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)ccc1=O ZINC000826359200 607529732 /nfs/dbraw/zinc/52/97/32/607529732.db2.gz ZZEYKJCAIDVMBM-UHFFFAOYSA-N -1 3 376.380 0.886 20 0 GCADHM Cn1cc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)ccc1=O ZINC000826359200 607529733 /nfs/dbraw/zinc/52/97/33/607529733.db2.gz ZZEYKJCAIDVMBM-UHFFFAOYSA-N -1 3 376.380 0.886 20 0 GCADHM O=C([O-])C[C@H]1CSCCN1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000833222064 601921278 /nfs/dbraw/zinc/92/12/78/601921278.db2.gz RTSYZGJBDCBUCX-UONOGXRCSA-N -1 3 379.438 0.756 20 0 GCADHM C[C@H](O)c1cn(CC(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)nn1 ZINC000827803955 601944989 /nfs/dbraw/zinc/94/49/89/601944989.db2.gz QAIHPDSDUDNBLW-LIRRHRJNSA-N -1 3 387.440 0.567 20 0 GCADHM CCN1CCC[C@@H](NC(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)C1 ZINC000829765396 602062454 /nfs/dbraw/zinc/06/24/54/602062454.db2.gz SPCNGIUIKHIITN-MRXNPFEDSA-N -1 3 397.497 0.970 20 0 GCADHM CCN1CCC[C@H](NC(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)C1 ZINC000829765395 602062545 /nfs/dbraw/zinc/06/25/45/602062545.db2.gz SPCNGIUIKHIITN-INIZCTEOSA-N -1 3 397.497 0.970 20 0 GCADHM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000833263465 602070736 /nfs/dbraw/zinc/07/07/36/602070736.db2.gz NYWALIDFAFNNPZ-OAHLLOKOSA-N -1 3 395.481 0.722 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1-c1nnn[n-]1 ZINC000826301561 607544293 /nfs/dbraw/zinc/54/42/93/607544293.db2.gz IKDKXGINZJPJKS-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1-c1nn[n-]n1 ZINC000826301561 607544295 /nfs/dbraw/zinc/54/42/95/607544295.db2.gz IKDKXGINZJPJKS-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM COCC(=O)NC1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000826147591 607544618 /nfs/dbraw/zinc/54/46/18/607544618.db2.gz CPWDTYOLDUARFY-UHFFFAOYSA-N -1 3 394.457 0.091 20 0 GCADHM COCC(=O)NC1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000826147591 607544621 /nfs/dbraw/zinc/54/46/21/607544621.db2.gz CPWDTYOLDUARFY-UHFFFAOYSA-N -1 3 394.457 0.091 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c1-c1nnn[n-]1 ZINC000826302087 607546063 /nfs/dbraw/zinc/54/60/63/607546063.db2.gz ZXWHHHXARVTYIF-UHFFFAOYSA-N -1 3 376.442 0.418 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)c1-c1nn[n-]n1 ZINC000826302087 607546065 /nfs/dbraw/zinc/54/60/65/607546065.db2.gz ZXWHHHXARVTYIF-UHFFFAOYSA-N -1 3 376.442 0.418 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1-c1nnn[n-]1 ZINC000826301783 607550764 /nfs/dbraw/zinc/55/07/64/607550764.db2.gz POQKEECFZCHIKD-CHWSQXEVSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC000826301783 607550765 /nfs/dbraw/zinc/55/07/65/607550765.db2.gz POQKEECFZCHIKD-CHWSQXEVSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826300765 607546919 /nfs/dbraw/zinc/54/69/19/607546919.db2.gz GBHTVQJUHNVZFV-QWRGUYRKSA-N -1 3 387.487 0.617 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826300765 607546920 /nfs/dbraw/zinc/54/69/20/607546920.db2.gz GBHTVQJUHNVZFV-QWRGUYRKSA-N -1 3 387.487 0.617 20 0 GCADHM CN(C)C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000830600400 602156851 /nfs/dbraw/zinc/15/68/51/602156851.db2.gz KATFCTNQEICDGC-MRVPVSSYSA-N -1 3 397.247 0.691 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000825605093 607551549 /nfs/dbraw/zinc/55/15/49/607551549.db2.gz PVLWXBMHRUZYIV-LBPRGKRZSA-N -1 3 385.421 0.822 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000825605093 607551551 /nfs/dbraw/zinc/55/15/51/607551551.db2.gz PVLWXBMHRUZYIV-LBPRGKRZSA-N -1 3 385.421 0.822 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000826083539 607555937 /nfs/dbraw/zinc/55/59/37/607555937.db2.gz MHNLIOSULANCNW-LBPRGKRZSA-N -1 3 390.429 0.040 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000826083539 607555939 /nfs/dbraw/zinc/55/59/39/607555939.db2.gz MHNLIOSULANCNW-LBPRGKRZSA-N -1 3 390.429 0.040 20 0 GCADHM CCN(C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CCO1)c1cccnn1 ZINC000825418295 607553000 /nfs/dbraw/zinc/55/30/00/607553000.db2.gz ZKHPCEMXMXJREK-CQSZACIVSA-N -1 3 397.443 0.363 20 0 GCADHM CCN(C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CCO1)c1cccnn1 ZINC000825418295 607553002 /nfs/dbraw/zinc/55/30/02/607553002.db2.gz ZKHPCEMXMXJREK-CQSZACIVSA-N -1 3 397.443 0.363 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000830934740 602221718 /nfs/dbraw/zinc/22/17/18/602221718.db2.gz JIHPFMLUNBNTQQ-AWEZNQCLSA-N -1 3 399.444 0.451 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000830935105 602221846 /nfs/dbraw/zinc/22/18/46/602221846.db2.gz PENIJCNUSNCNCK-OAHLLOKOSA-N -1 3 381.454 0.312 20 0 GCADHM COc1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)cc1-c1nnn[n-]1 ZINC000826203539 607554721 /nfs/dbraw/zinc/55/47/21/607554721.db2.gz ULHAZLSZBDOPJB-UHFFFAOYSA-N -1 3 383.821 0.741 20 0 GCADHM COc1ccc(CNS(=O)(=O)c2ncn(C)c2Cl)cc1-c1nn[n-]n1 ZINC000826203539 607554723 /nfs/dbraw/zinc/55/47/23/607554723.db2.gz ULHAZLSZBDOPJB-UHFFFAOYSA-N -1 3 383.821 0.741 20 0 GCADHM COC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826149427 607555253 /nfs/dbraw/zinc/55/52/53/607555253.db2.gz HHYJQLLODNHBMP-HZMBPMFUSA-N -1 3 394.457 0.075 20 0 GCADHM COC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826149427 607555254 /nfs/dbraw/zinc/55/52/54/607555254.db2.gz HHYJQLLODNHBMP-HZMBPMFUSA-N -1 3 394.457 0.075 20 0 GCADHM CN(C)CCN1C[C@@H](C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)CC1=O ZINC000830608777 602256780 /nfs/dbraw/zinc/25/67/80/602256780.db2.gz IDLITCKJZMRKNJ-LBPRGKRZSA-N -1 3 397.453 0.137 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncc(F)cn2)CC1 ZINC000826493785 607555834 /nfs/dbraw/zinc/55/58/34/607555834.db2.gz CCPXEZREQGSABV-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncc(F)cn2)CC1 ZINC000826493785 607555836 /nfs/dbraw/zinc/55/58/36/607555836.db2.gz CCPXEZREQGSABV-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM COc1ccc(CNC(=O)NCC(C)(C)N2CCOCC2)cc1-c1nnn[n-]1 ZINC000826198962 607556449 /nfs/dbraw/zinc/55/64/49/607556449.db2.gz NLFBIASIVCQTBI-UHFFFAOYSA-N -1 3 389.460 0.785 20 0 GCADHM COc1ccc(CNC(=O)NCC(C)(C)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000826198962 607556450 /nfs/dbraw/zinc/55/64/50/607556450.db2.gz NLFBIASIVCQTBI-UHFFFAOYSA-N -1 3 389.460 0.785 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000826083066 607556513 /nfs/dbraw/zinc/55/65/13/607556513.db2.gz HVDKEHYPQJCBKG-KOLCDFICSA-N -1 3 397.461 0.027 20 0 GCADHM O=S(=O)(NCCOc1ncccc1F)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826491279 607557324 /nfs/dbraw/zinc/55/73/24/607557324.db2.gz APGHRGQGNJSEBL-UHFFFAOYSA-N -1 3 382.352 0.897 20 0 GCADHM O=S(=O)(NCCOc1ncccc1F)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826491279 607557325 /nfs/dbraw/zinc/55/73/25/607557325.db2.gz APGHRGQGNJSEBL-UHFFFAOYSA-N -1 3 382.352 0.897 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H](O)c2ccncc2)cc1 ZINC000826394871 607562172 /nfs/dbraw/zinc/56/21/72/607562172.db2.gz CLBOXATUHURDAT-HNNXBMFYSA-N -1 3 391.395 0.493 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H](O)c2ccncc2)cc1 ZINC000826394871 607562173 /nfs/dbraw/zinc/56/21/73/607562173.db2.gz CLBOXATUHURDAT-HNNXBMFYSA-N -1 3 391.395 0.493 20 0 GCADHM CC[C@H](C)NC(=O)CCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825069136 607562839 /nfs/dbraw/zinc/56/28/39/607562839.db2.gz YIGZWOXTWJBEFD-NSHDSACASA-N -1 3 375.433 0.979 20 0 GCADHM CC[C@H](C)NC(=O)CCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825069136 607562841 /nfs/dbraw/zinc/56/28/41/607562841.db2.gz YIGZWOXTWJBEFD-NSHDSACASA-N -1 3 375.433 0.979 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCc2c[nH]nc2C1 ZINC000825621009 607565368 /nfs/dbraw/zinc/56/53/68/607565368.db2.gz MQGJUXMMBKXGNB-UHFFFAOYSA-N -1 3 382.384 0.512 20 0 GCADHM O=C(CN1CCc2c[nH]nc2C1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826411546 607567762 /nfs/dbraw/zinc/56/77/62/607567762.db2.gz CNGOXHXAFFHXGK-UHFFFAOYSA-N -1 3 390.411 0.772 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)CO[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826198921 607569456 /nfs/dbraw/zinc/56/94/56/607569456.db2.gz MSXSPNDQPJYTOE-DGCLKSJQSA-N -1 3 376.417 0.869 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)CO[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826198921 607569457 /nfs/dbraw/zinc/56/94/57/607569457.db2.gz MSXSPNDQPJYTOE-DGCLKSJQSA-N -1 3 376.417 0.869 20 0 GCADHM COc1ccc(CNC(=O)NCCS(=O)(=O)CC2CC2)cc1-c1nnn[n-]1 ZINC000826199550 607569599 /nfs/dbraw/zinc/56/95/99/607569599.db2.gz CSVWQUDHHYHGQH-UHFFFAOYSA-N -1 3 394.457 0.499 20 0 GCADHM COc1ccc(CNC(=O)NCCS(=O)(=O)CC2CC2)cc1-c1nn[n-]n1 ZINC000826199550 607569601 /nfs/dbraw/zinc/56/96/01/607569601.db2.gz CSVWQUDHHYHGQH-UHFFFAOYSA-N -1 3 394.457 0.499 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826337233 607565907 /nfs/dbraw/zinc/56/59/07/607565907.db2.gz HXNBHMAJBDMZRF-GXFFZTMASA-N -1 3 396.411 0.899 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826337233 607565908 /nfs/dbraw/zinc/56/59/08/607565908.db2.gz HXNBHMAJBDMZRF-GXFFZTMASA-N -1 3 396.411 0.899 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CCc2nnc(C)n2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117998 607565996 /nfs/dbraw/zinc/56/59/96/607565996.db2.gz WOSHSUANCQSXPU-UKRRQHHQSA-N -1 3 397.395 0.787 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CCc2nnc(C)n2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117998 607565997 /nfs/dbraw/zinc/56/59/97/607565997.db2.gz WOSHSUANCQSXPU-UKRRQHHQSA-N -1 3 397.395 0.787 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)O[C@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826337575 607566007 /nfs/dbraw/zinc/56/60/07/607566007.db2.gz TUAVWSLONMDQSH-OCCSQVGLSA-N -1 3 382.384 0.099 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)O[C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826337575 607566009 /nfs/dbraw/zinc/56/60/09/607566009.db2.gz TUAVWSLONMDQSH-OCCSQVGLSA-N -1 3 382.384 0.099 20 0 GCADHM COc1ccc(CNC(=O)NCCCO[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826199553 607570061 /nfs/dbraw/zinc/57/00/61/607570061.db2.gz CWWNTGVVCZFJEF-ZDUSSCGKSA-N -1 3 376.417 0.870 20 0 GCADHM COc1ccc(CNC(=O)NCCCO[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826199553 607570063 /nfs/dbraw/zinc/57/00/63/607570063.db2.gz CWWNTGVVCZFJEF-ZDUSSCGKSA-N -1 3 376.417 0.870 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@@H]1CCCn2ccnc21 ZINC000826437852 607571621 /nfs/dbraw/zinc/57/16/21/607571621.db2.gz DHNDCVJTMAYEDM-LBPRGKRZSA-N -1 3 382.432 0.747 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@@H]1CCCn2ccnc21 ZINC000826437852 607571623 /nfs/dbraw/zinc/57/16/23/607571623.db2.gz DHNDCVJTMAYEDM-LBPRGKRZSA-N -1 3 382.432 0.747 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825659600 607572379 /nfs/dbraw/zinc/57/23/79/607572379.db2.gz WGCOULWTSVXGGE-LLVKDONJSA-N -1 3 396.473 0.840 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825659600 607572381 /nfs/dbraw/zinc/57/23/81/607572381.db2.gz WGCOULWTSVXGGE-LLVKDONJSA-N -1 3 396.473 0.840 20 0 GCADHM COc1ccc(CNC(=O)N(C)CC(=O)NC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826197284 607576169 /nfs/dbraw/zinc/57/61/69/607576169.db2.gz INRAGIDFULCPED-UHFFFAOYSA-N -1 3 375.433 0.931 20 0 GCADHM COc1ccc(CNC(=O)N(C)CC(=O)NC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826197284 607576170 /nfs/dbraw/zinc/57/61/70/607576170.db2.gz INRAGIDFULCPED-UHFFFAOYSA-N -1 3 375.433 0.931 20 0 GCADHM COc1ccc(CNC(=O)CS(=O)(=O)C2CCCC2)cc1-c1nnn[n-]1 ZINC000826197453 607579615 /nfs/dbraw/zinc/57/96/15/607579615.db2.gz PMFKYCGLLXBKTP-UHFFFAOYSA-N -1 3 379.442 0.849 20 0 GCADHM COc1ccc(CNC(=O)CS(=O)(=O)C2CCCC2)cc1-c1nn[n-]n1 ZINC000826197453 607579617 /nfs/dbraw/zinc/57/96/17/607579617.db2.gz PMFKYCGLLXBKTP-UHFFFAOYSA-N -1 3 379.442 0.849 20 0 GCADHM C[C@H]1CN(CCCNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824984671 607581483 /nfs/dbraw/zinc/58/14/83/607581483.db2.gz MADGYKZSXWKSMV-RYUDHWBXSA-N -1 3 398.464 0.783 20 0 GCADHM C[C@H]1CN(CCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824984671 607581485 /nfs/dbraw/zinc/58/14/85/607581485.db2.gz MADGYKZSXWKSMV-RYUDHWBXSA-N -1 3 398.464 0.783 20 0 GCADHM C[C@@H]1CN(CCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824984396 607581812 /nfs/dbraw/zinc/58/18/12/607581812.db2.gz JKYMADVJIFHSNG-VXGBXAGGSA-N -1 3 398.464 0.783 20 0 GCADHM O=S(=O)(NCc1nnc2n1CCC2)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826492643 607582845 /nfs/dbraw/zinc/58/28/45/607582845.db2.gz VYNVSNZMLXDGKS-UHFFFAOYSA-N -1 3 380.821 0.536 20 0 GCADHM O=S(=O)(NCc1nnc2n1CCC2)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826492643 607582847 /nfs/dbraw/zinc/58/28/47/607582847.db2.gz VYNVSNZMLXDGKS-UHFFFAOYSA-N -1 3 380.821 0.536 20 0 GCADHM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826060917 607585227 /nfs/dbraw/zinc/58/52/27/607585227.db2.gz WQPVKLMZFVWKKI-LLVKDONJSA-N -1 3 384.849 0.809 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C2 ZINC000826330573 607585836 /nfs/dbraw/zinc/58/58/36/607585836.db2.gz ZODSHCFMGMENOP-LBPRGKRZSA-N -1 3 389.416 0.940 20 0 GCADHM Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C2 ZINC000826330572 607585902 /nfs/dbraw/zinc/58/59/02/607585902.db2.gz ZODSHCFMGMENOP-GFCCVEGCSA-N -1 3 389.416 0.940 20 0 GCADHM NC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826391519 607590715 /nfs/dbraw/zinc/59/07/15/607590715.db2.gz OPMOIAKTZOFBGI-UHFFFAOYSA-N -1 3 384.849 0.939 20 0 GCADHM O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccccc1-c1nnn[n-]1 ZINC000826488548 607589176 /nfs/dbraw/zinc/58/91/76/607589176.db2.gz SNNYRBFQWJECDH-UHFFFAOYSA-N -1 3 386.441 0.604 20 0 GCADHM O=S(=O)(NC1CCN(c2ncccn2)CC1)c1ccccc1-c1nn[n-]n1 ZINC000826488548 607589178 /nfs/dbraw/zinc/58/91/78/607589178.db2.gz SNNYRBFQWJECDH-UHFFFAOYSA-N -1 3 386.441 0.604 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000826196319 607589202 /nfs/dbraw/zinc/58/92/02/607589202.db2.gz XXCJPSQVYVVYMU-SNVBAGLBSA-N -1 3 398.345 0.902 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000826196319 607589204 /nfs/dbraw/zinc/58/92/04/607589204.db2.gz XXCJPSQVYVVYMU-SNVBAGLBSA-N -1 3 398.345 0.902 20 0 GCADHM COc1ccc(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1-c1nnn[n-]1 ZINC000826195987 607589223 /nfs/dbraw/zinc/58/92/23/607589223.db2.gz MZVIJPVEFGRYJS-UHFFFAOYSA-N -1 3 399.411 0.260 20 0 GCADHM COc1ccc(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1-c1nn[n-]n1 ZINC000826195987 607589225 /nfs/dbraw/zinc/58/92/25/607589225.db2.gz MZVIJPVEFGRYJS-UHFFFAOYSA-N -1 3 399.411 0.260 20 0 GCADHM COc1ccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826197349 607591265 /nfs/dbraw/zinc/59/12/65/607591265.db2.gz LVQADRQSOYJGJZ-LLVKDONJSA-N -1 3 397.482 0.412 20 0 GCADHM COc1ccc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826197349 607591266 /nfs/dbraw/zinc/59/12/66/607591266.db2.gz LVQADRQSOYJGJZ-LLVKDONJSA-N -1 3 397.482 0.412 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)cc1-c1nnn[n-]1 ZINC000826196028 607592412 /nfs/dbraw/zinc/59/24/12/607592412.db2.gz OIDFXLQMYYUPHO-BXKDBHETSA-N -1 3 398.345 0.949 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)cc1-c1nn[n-]n1 ZINC000826196028 607592413 /nfs/dbraw/zinc/59/24/13/607592413.db2.gz OIDFXLQMYYUPHO-BXKDBHETSA-N -1 3 398.345 0.949 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1-c1nnn[n-]1 ZINC000826197018 607592663 /nfs/dbraw/zinc/59/26/63/607592663.db2.gz WRHLDOJGHGHIOG-SJCJKPOMSA-N -1 3 388.453 0.946 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1-c1nn[n-]n1 ZINC000826197018 607592665 /nfs/dbraw/zinc/59/26/65/607592665.db2.gz WRHLDOJGHGHIOG-SJCJKPOMSA-N -1 3 388.453 0.946 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)N1CCCCC1 ZINC000826408124 607592846 /nfs/dbraw/zinc/59/28/46/607592846.db2.gz QJILHVMPCRHSDA-UHFFFAOYSA-N -1 3 382.421 0.687 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826197112 607593167 /nfs/dbraw/zinc/59/31/67/607593167.db2.gz AADKYVKEOTVNPB-UHFFFAOYSA-N -1 3 388.306 0.780 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)OCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826197112 607593168 /nfs/dbraw/zinc/59/31/68/607593168.db2.gz AADKYVKEOTVNPB-UHFFFAOYSA-N -1 3 388.306 0.780 20 0 GCADHM C[C@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824414208 607593618 /nfs/dbraw/zinc/59/36/18/607593618.db2.gz XMSXMGZSPVZGME-SECBINFHSA-N -1 3 384.849 0.809 20 0 GCADHM C[C@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824414208 607593620 /nfs/dbraw/zinc/59/36/20/607593620.db2.gz XMSXMGZSPVZGME-SECBINFHSA-N -1 3 384.849 0.809 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCNC(=O)c2cccs2)c1-c1nnn[n-]1 ZINC000826303682 607590796 /nfs/dbraw/zinc/59/07/96/607590796.db2.gz ZRHMUUUZOCGBMY-UHFFFAOYSA-N -1 3 392.466 0.945 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCNC(=O)c2cccs2)c1-c1nn[n-]n1 ZINC000826303682 607590797 /nfs/dbraw/zinc/59/07/97/607590797.db2.gz ZRHMUUUZOCGBMY-UHFFFAOYSA-N -1 3 392.466 0.945 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccco2)c1-c1nnn[n-]1 ZINC000826301796 607601255 /nfs/dbraw/zinc/60/12/55/607601255.db2.gz PYYCVHWCXUJYRC-NSHDSACASA-N -1 3 390.425 0.751 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccco2)c1-c1nn[n-]n1 ZINC000826301796 607601256 /nfs/dbraw/zinc/60/12/56/607601256.db2.gz PYYCVHWCXUJYRC-NSHDSACASA-N -1 3 390.425 0.751 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000826328931 607605544 /nfs/dbraw/zinc/60/55/44/607605544.db2.gz JOXHZAWHKLFRHY-SNVBAGLBSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000826328931 607605545 /nfs/dbraw/zinc/60/55/45/607605545.db2.gz JOXHZAWHKLFRHY-SNVBAGLBSA-N -1 3 394.848 0.713 20 0 GCADHM COc1ccc(COC(=O)[C@@H](CO)NC(=O)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826204500 607602046 /nfs/dbraw/zinc/60/20/46/607602046.db2.gz NMDMOHIPXLVABD-OAHLLOKOSA-N -1 3 397.391 0.709 20 0 GCADHM COc1ccc(COC(=O)[C@@H](CO)NC(=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826204500 607602047 /nfs/dbraw/zinc/60/20/47/607602047.db2.gz NMDMOHIPXLVABD-OAHLLOKOSA-N -1 3 397.391 0.709 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccccc1-c1nnn[n-]1)NCc1ccccc1 ZINC000826408160 607602398 /nfs/dbraw/zinc/60/23/98/607602398.db2.gz RYSGMQVKVYNAOK-UHFFFAOYSA-N -1 3 386.437 0.852 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccccc1-c1nn[n-]n1)NCc1ccccc1 ZINC000826408160 607602400 /nfs/dbraw/zinc/60/24/00/607602400.db2.gz RYSGMQVKVYNAOK-UHFFFAOYSA-N -1 3 386.437 0.852 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)N1CCOCC1 ZINC000824640208 607609886 /nfs/dbraw/zinc/60/98/86/607609886.db2.gz CWSLKGFCQRAENX-GHMZBOCLSA-N -1 3 384.437 0.393 20 0 GCADHM O=C1CCC(=O)N1CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826480047 607610642 /nfs/dbraw/zinc/61/06/42/607610642.db2.gz PSKDXJQHAQIKSN-UHFFFAOYSA-N -1 3 398.832 0.338 20 0 GCADHM O=C1CCC(=O)N1CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826480047 607610643 /nfs/dbraw/zinc/61/06/43/607610643.db2.gz PSKDXJQHAQIKSN-UHFFFAOYSA-N -1 3 398.832 0.338 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(N)=O ZINC000824198293 607610938 /nfs/dbraw/zinc/61/09/38/607610938.db2.gz AZVOFGORYDZEEP-JTQLQIEISA-N -1 3 392.363 0.674 20 0 GCADHM COc1ccc(COC(=O)[C@H](NC(=O)C(C)(C)C)[C@H](C)O)cc1-c1nnn[n-]1 ZINC000826204670 607611079 /nfs/dbraw/zinc/61/10/79/607611079.db2.gz VFVRAJAJEJAVHR-IINYFYTJSA-N -1 3 391.428 0.830 20 0 GCADHM COc1ccc(COC(=O)[C@H](NC(=O)C(C)(C)C)[C@H](C)O)cc1-c1nn[n-]n1 ZINC000826204670 607611080 /nfs/dbraw/zinc/61/10/80/607611080.db2.gz VFVRAJAJEJAVHR-IINYFYTJSA-N -1 3 391.428 0.830 20 0 GCADHM CC(C)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(N)=O ZINC000824198297 607611239 /nfs/dbraw/zinc/61/12/39/607611239.db2.gz AZVOFGORYDZEEP-SNVBAGLBSA-N -1 3 392.363 0.674 20 0 GCADHM CN(CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC(F)(F)F ZINC000825941692 607613354 /nfs/dbraw/zinc/61/33/54/607613354.db2.gz NGKNQRCEUOPCSN-UHFFFAOYSA-N -1 3 382.343 0.778 20 0 GCADHM NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826391499 607614163 /nfs/dbraw/zinc/61/41/63/607614163.db2.gz NZUODLJOHLDUEE-UHFFFAOYSA-N -1 3 390.400 0.682 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCOC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826491272 607614214 /nfs/dbraw/zinc/61/42/14/607614214.db2.gz AEXLFCNKHWPGCN-SNVBAGLBSA-N -1 3 387.849 0.852 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCOC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826491272 607614215 /nfs/dbraw/zinc/61/42/15/607614215.db2.gz AEXLFCNKHWPGCN-SNVBAGLBSA-N -1 3 387.849 0.852 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccs1)c1cc(-c2nnn[n-]2)cs1 ZINC000826437613 607616221 /nfs/dbraw/zinc/61/62/21/607616221.db2.gz TUTMYYMTLVSPOV-UHFFFAOYSA-N -1 3 384.468 0.698 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccs1)c1cc(-c2nn[n-]n2)cs1 ZINC000826437613 607616222 /nfs/dbraw/zinc/61/62/22/607616222.db2.gz TUTMYYMTLVSPOV-UHFFFAOYSA-N -1 3 384.468 0.698 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000825838857 607616693 /nfs/dbraw/zinc/61/66/93/607616693.db2.gz DDAXDCKRDLULAV-RYUDHWBXSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000825838857 607616695 /nfs/dbraw/zinc/61/66/95/607616695.db2.gz DDAXDCKRDLULAV-RYUDHWBXSA-N -1 3 378.458 0.792 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000825750331 607616739 /nfs/dbraw/zinc/61/67/39/607616739.db2.gz QJHWYAVHVBMTBJ-JTQLQIEISA-N -1 3 392.420 0.453 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824859190 607619800 /nfs/dbraw/zinc/61/98/00/607619800.db2.gz NUUXQEHHMVJMCR-RKDXNWHRSA-N -1 3 389.434 0.202 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC000826301755 607620118 /nfs/dbraw/zinc/62/01/18/607620118.db2.gz OYASHVDJXMPEOY-MNOVXSKESA-N -1 3 385.471 0.371 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000826301755 607620119 /nfs/dbraw/zinc/62/01/19/607620119.db2.gz OYASHVDJXMPEOY-MNOVXSKESA-N -1 3 385.471 0.371 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H](C)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826302662 607621528 /nfs/dbraw/zinc/62/15/28/607621528.db2.gz PGCZKSHBKIQYDX-LBPRGKRZSA-N -1 3 380.474 0.422 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H](C)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826302662 607621531 /nfs/dbraw/zinc/62/15/31/607621531.db2.gz PGCZKSHBKIQYDX-LBPRGKRZSA-N -1 3 380.474 0.422 20 0 GCADHM CN1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1=O ZINC000826029821 607621582 /nfs/dbraw/zinc/62/15/82/607621582.db2.gz XPAXVTPDSAPFLT-VIFPVBQESA-N -1 3 390.347 0.395 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826390363 607621890 /nfs/dbraw/zinc/62/18/90/607621890.db2.gz XQBFJYGCXARPAD-WCBMZHEXSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000826390363 607621891 /nfs/dbraw/zinc/62/18/91/607621891.db2.gz XQBFJYGCXARPAD-WCBMZHEXSA-N -1 3 384.849 0.843 20 0 GCADHM Cc1nccn1CCCN(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826330767 607622338 /nfs/dbraw/zinc/62/23/38/607622338.db2.gz HQBLDIUPUALZOD-UHFFFAOYSA-N -1 3 384.448 0.910 20 0 GCADHM O=S(=O)(c1cc(Br)cc(-c2nnn[n-]2)c1)N1CCC[C@@H](O)C1 ZINC000826493740 607622853 /nfs/dbraw/zinc/62/28/53/607622853.db2.gz ADTIKXOMECCOPC-SNVBAGLBSA-N -1 3 388.247 0.775 20 0 GCADHM O=S(=O)(c1cc(Br)cc(-c2nn[n-]n2)c1)N1CCC[C@@H](O)C1 ZINC000826493740 607622854 /nfs/dbraw/zinc/62/28/54/607622854.db2.gz ADTIKXOMECCOPC-SNVBAGLBSA-N -1 3 388.247 0.775 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826111681 607623268 /nfs/dbraw/zinc/62/32/68/607623268.db2.gz JVZBHORYADSXAF-IAQYHMDHSA-N -1 3 388.428 0.883 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826111681 607623269 /nfs/dbraw/zinc/62/32/69/607623269.db2.gz JVZBHORYADSXAF-IAQYHMDHSA-N -1 3 388.428 0.883 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CN1CCOCC1 ZINC000824426181 607620681 /nfs/dbraw/zinc/62/06/81/607620681.db2.gz BGPWRMRJKWVJJV-LLVKDONJSA-N -1 3 384.437 0.252 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CN1CCOCC1 ZINC000824426181 607620682 /nfs/dbraw/zinc/62/06/82/607620682.db2.gz BGPWRMRJKWVJJV-LLVKDONJSA-N -1 3 384.437 0.252 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCCN(CCO)CC1 ZINC000826494736 607626196 /nfs/dbraw/zinc/62/61/96/607626196.db2.gz NELOGRDJDURDFI-UHFFFAOYSA-N -1 3 386.865 0.209 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCCN(CCO)CC1 ZINC000826494736 607626197 /nfs/dbraw/zinc/62/61/97/607626197.db2.gz NELOGRDJDURDFI-UHFFFAOYSA-N -1 3 386.865 0.209 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826489002 607629507 /nfs/dbraw/zinc/62/95/07/607629507.db2.gz FIIKVGBTJBRSGR-CYBMUJFWSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826489002 607629508 /nfs/dbraw/zinc/62/95/08/607629508.db2.gz FIIKVGBTJBRSGR-CYBMUJFWSA-N -1 3 393.400 0.724 20 0 GCADHM COC(=O)C1(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCC1 ZINC000826123823 607630413 /nfs/dbraw/zinc/63/04/13/607630413.db2.gz LOUKFOIXQKMXHX-UHFFFAOYSA-N -1 3 382.384 0.460 20 0 GCADHM COC(=O)C1(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCC1 ZINC000826123823 607630415 /nfs/dbraw/zinc/63/04/15/607630415.db2.gz LOUKFOIXQKMXHX-UHFFFAOYSA-N -1 3 382.384 0.460 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1-c1nnn[n-]1 ZINC000826196150 607631077 /nfs/dbraw/zinc/63/10/77/607631077.db2.gz RNELNOUILCTOAA-UHFFFAOYSA-N -1 3 396.363 0.859 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1-c1nn[n-]n1 ZINC000826196150 607631078 /nfs/dbraw/zinc/63/10/78/607631078.db2.gz RNELNOUILCTOAA-UHFFFAOYSA-N -1 3 396.363 0.859 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cnc(C3CC3)nc2)cc1-c1nnn[n-]1 ZINC000826196162 607631101 /nfs/dbraw/zinc/63/11/01/607631101.db2.gz RYENKYPCWZZWAD-UHFFFAOYSA-N -1 3 394.395 0.798 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cnc(C3CC3)nc2)cc1-c1nn[n-]n1 ZINC000826196162 607631102 /nfs/dbraw/zinc/63/11/02/607631102.db2.gz RYENKYPCWZZWAD-UHFFFAOYSA-N -1 3 394.395 0.798 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1-c1nnn[n-]1 ZINC000826195938 607631379 /nfs/dbraw/zinc/63/13/79/607631379.db2.gz KXXZLLOTZHADRG-UHFFFAOYSA-N -1 3 384.400 0.908 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000826195938 607631381 /nfs/dbraw/zinc/63/13/81/607631381.db2.gz KXXZLLOTZHADRG-UHFFFAOYSA-N -1 3 384.400 0.908 20 0 GCADHM O=C(NC[C@@H]1CCCn2ccnc21)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826435866 607631634 /nfs/dbraw/zinc/63/16/34/607631634.db2.gz ZSMHDNAOYVZGNA-JTQLQIEISA-N -1 3 384.375 0.835 20 0 GCADHM O=C(NC[C@@H]1CCCn2ccnc21)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826435866 607631635 /nfs/dbraw/zinc/63/16/35/607631635.db2.gz ZSMHDNAOYVZGNA-JTQLQIEISA-N -1 3 384.375 0.835 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H](O)Cc1ccccc1 ZINC000824471426 607631742 /nfs/dbraw/zinc/63/17/42/607631742.db2.gz QLEUTQQUESZXBW-BLLLJJGKSA-N -1 3 380.408 0.914 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H](O)Cc1ccccc1 ZINC000824471426 607631743 /nfs/dbraw/zinc/63/17/43/607631743.db2.gz QLEUTQQUESZXBW-BLLLJJGKSA-N -1 3 380.408 0.914 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824705734 607632183 /nfs/dbraw/zinc/63/21/83/607632183.db2.gz CTXHWIBSJZQWFZ-JTQLQIEISA-N -1 3 386.865 0.207 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824705734 607632185 /nfs/dbraw/zinc/63/21/85/607632185.db2.gz CTXHWIBSJZQWFZ-JTQLQIEISA-N -1 3 386.865 0.207 20 0 GCADHM O=S(=O)(NCCSCCCO)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826491374 607632452 /nfs/dbraw/zinc/63/24/52/607632452.db2.gz GTPTUCKERBMHMU-UHFFFAOYSA-N -1 3 377.879 0.914 20 0 GCADHM O=S(=O)(NCCSCCCO)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826491374 607632454 /nfs/dbraw/zinc/63/24/54/607632454.db2.gz GTPTUCKERBMHMU-UHFFFAOYSA-N -1 3 377.879 0.914 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111282 607632555 /nfs/dbraw/zinc/63/25/55/607632555.db2.gz CJEDXJYSKPIWNU-NHYWBVRUSA-N -1 3 389.412 0.407 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCOc1ncccc1F ZINC000826277286 607632939 /nfs/dbraw/zinc/63/29/39/607632939.db2.gz PVWKUIVYWXOKAV-UHFFFAOYSA-N -1 3 385.359 0.843 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCOc1ncccc1F ZINC000826277286 607632941 /nfs/dbraw/zinc/63/29/41/607632941.db2.gz PVWKUIVYWXOKAV-UHFFFAOYSA-N -1 3 385.359 0.843 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@@H](OCCO)C1 ZINC000826494014 607634218 /nfs/dbraw/zinc/63/42/18/607634218.db2.gz LRAJKMRKWJCMBP-SNVBAGLBSA-N -1 3 389.384 0.307 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@@H](OCCO)C1 ZINC000826494014 607634221 /nfs/dbraw/zinc/63/42/21/607634221.db2.gz LRAJKMRKWJCMBP-SNVBAGLBSA-N -1 3 389.384 0.307 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N(CCO)CCOCC(F)(F)F ZINC000826496002 607635428 /nfs/dbraw/zinc/63/54/28/607635428.db2.gz IJEBXLPTAUTNJJ-UHFFFAOYSA-N -1 3 395.363 0.429 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N(CCO)CCOCC(F)(F)F ZINC000826496002 607635430 /nfs/dbraw/zinc/63/54/30/607635430.db2.gz IJEBXLPTAUTNJJ-UHFFFAOYSA-N -1 3 395.363 0.429 20 0 GCADHM O=S(=O)(N[C@H](CO)C1CC1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826487099 607638710 /nfs/dbraw/zinc/63/87/10/607638710.db2.gz CVOBWNSYTYQYPX-SNVBAGLBSA-N -1 3 377.348 0.935 20 0 GCADHM COc1ccccc1[C@@H](CO)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826218761 607639417 /nfs/dbraw/zinc/63/94/17/607639417.db2.gz KKDWXHUFTZGMRL-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@@H](CO)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826218761 607639418 /nfs/dbraw/zinc/63/94/18/607639418.db2.gz KKDWXHUFTZGMRL-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM O=S(=O)(NC[C@H](O)C1CCOCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826489802 607640009 /nfs/dbraw/zinc/64/00/09/607640009.db2.gz ZZFNNWDJOAYQKV-ZDUSSCGKSA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NC[C@H](O)C1CCOCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826489802 607640010 /nfs/dbraw/zinc/64/00/10/607640010.db2.gz ZZFNNWDJOAYQKV-ZDUSSCGKSA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NCC1(O)Cc2ccccc2C1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826489964 607640307 /nfs/dbraw/zinc/64/03/07/607640307.db2.gz FVUBJKSOKBVYEV-UHFFFAOYSA-N -1 3 389.412 0.814 20 0 GCADHM O=C1[C@@H](N(CCO)Cc2cccnc2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476092 607641571 /nfs/dbraw/zinc/64/15/71/607641571.db2.gz APTSTMFOIKEPHV-KRWDZBQOSA-N -1 3 379.424 0.862 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000826389448 607641624 /nfs/dbraw/zinc/64/16/24/607641624.db2.gz YRLQZLPMUVNHIW-UXLLHSPISA-N -1 3 398.423 0.811 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000826389448 607641626 /nfs/dbraw/zinc/64/16/26/607641626.db2.gz YRLQZLPMUVNHIW-UXLLHSPISA-N -1 3 398.423 0.811 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(S(=O)(=O)c1ccccc1-c1nnn[n-]1)C2 ZINC000825875422 607641662 /nfs/dbraw/zinc/64/16/62/607641662.db2.gz PCRGKMSHJOSQOQ-UHFFFAOYSA-N -1 3 386.441 0.470 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(S(=O)(=O)c1ccccc1-c1nn[n-]n1)C2 ZINC000825875422 607641664 /nfs/dbraw/zinc/64/16/64/607641664.db2.gz PCRGKMSHJOSQOQ-UHFFFAOYSA-N -1 3 386.441 0.470 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000825583232 607643989 /nfs/dbraw/zinc/64/39/89/607643989.db2.gz SIOZXHWZPQWDCY-HUUCEWRRSA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825583232 607643991 /nfs/dbraw/zinc/64/39/91/607643991.db2.gz SIOZXHWZPQWDCY-HUUCEWRRSA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000825583233 607644080 /nfs/dbraw/zinc/64/40/80/607644080.db2.gz SIOZXHWZPQWDCY-LSDHHAIUSA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825583233 607644081 /nfs/dbraw/zinc/64/40/81/607644081.db2.gz SIOZXHWZPQWDCY-LSDHHAIUSA-N -1 3 393.469 0.807 20 0 GCADHM Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000799774723 607646427 /nfs/dbraw/zinc/64/64/27/607646427.db2.gz IEDRENWFTPLUFK-LBPRGKRZSA-N -1 3 383.821 0.266 20 0 GCADHM Cn1cc([C@@H](O)CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000799774723 607646428 /nfs/dbraw/zinc/64/64/28/607646428.db2.gz IEDRENWFTPLUFK-LBPRGKRZSA-N -1 3 383.821 0.266 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000826248385 607646602 /nfs/dbraw/zinc/64/66/02/607646602.db2.gz HFMLCELFLPCSHE-UHFFFAOYSA-N -1 3 386.437 0.795 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000826248385 607646603 /nfs/dbraw/zinc/64/66/03/607646603.db2.gz HFMLCELFLPCSHE-UHFFFAOYSA-N -1 3 386.437 0.795 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000824706069 607648110 /nfs/dbraw/zinc/64/81/10/607648110.db2.gz GJDMAPXGEIDWBT-WDEREUQCSA-N -1 3 384.437 0.081 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000824706069 607648112 /nfs/dbraw/zinc/64/81/12/607648112.db2.gz GJDMAPXGEIDWBT-WDEREUQCSA-N -1 3 384.437 0.081 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@H]1C ZINC000824706058 607648351 /nfs/dbraw/zinc/64/83/51/607648351.db2.gz GHJFYJUDMPIXJW-GHMZBOCLSA-N -1 3 384.437 0.081 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@H]1C ZINC000824706058 607648352 /nfs/dbraw/zinc/64/83/52/607648352.db2.gz GHJFYJUDMPIXJW-GHMZBOCLSA-N -1 3 384.437 0.081 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826254839 607653107 /nfs/dbraw/zinc/65/31/07/607653107.db2.gz CFHWCYRFRZOESJ-LBPRGKRZSA-N -1 3 377.348 0.863 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826254839 607653109 /nfs/dbraw/zinc/65/31/09/607653109.db2.gz CFHWCYRFRZOESJ-LBPRGKRZSA-N -1 3 377.348 0.863 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826495490 607653538 /nfs/dbraw/zinc/65/35/38/607653538.db2.gz QYVCDSQLXBUAEZ-LLVKDONJSA-N -1 3 381.311 0.694 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825120284 607654145 /nfs/dbraw/zinc/65/41/45/607654145.db2.gz JOFOUYTWFHTHKH-LBPRGKRZSA-N -1 3 384.437 0.083 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825120284 607654146 /nfs/dbraw/zinc/65/41/46/607654146.db2.gz JOFOUYTWFHTHKH-LBPRGKRZSA-N -1 3 384.437 0.083 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC[C@H](CN3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826301447 607649483 /nfs/dbraw/zinc/64/94/83/607649483.db2.gz FHTNICPMEBMGCT-CQSZACIVSA-N -1 3 392.485 0.518 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC[C@H](CN3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826301447 607649485 /nfs/dbraw/zinc/64/94/85/607649485.db2.gz FHTNICPMEBMGCT-CQSZACIVSA-N -1 3 392.485 0.518 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCN1C[C@H](C)O ZINC000825212207 607652342 /nfs/dbraw/zinc/65/23/42/607652342.db2.gz QDHIJABLEDGTAJ-NWDGAFQWSA-N -1 3 398.464 0.472 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCN1C[C@H](C)O ZINC000825212207 607652343 /nfs/dbraw/zinc/65/23/43/607652343.db2.gz QDHIJABLEDGTAJ-NWDGAFQWSA-N -1 3 398.464 0.472 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCN1C[C@H](C)O ZINC000825209754 607652454 /nfs/dbraw/zinc/65/24/54/607652454.db2.gz BWCGIZKFXKDIDH-XJKSGUPXSA-N -1 3 394.501 0.474 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCN1C[C@H](C)O ZINC000825209852 607652481 /nfs/dbraw/zinc/65/24/81/607652481.db2.gz DAEDKEBKVLDMHO-RYUDHWBXSA-N -1 3 398.464 0.472 20 0 GCADHM CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000825499644 607652558 /nfs/dbraw/zinc/65/25/58/607652558.db2.gz PRRKQAIVQNPEGL-UHFFFAOYSA-N -1 3 395.441 0.254 20 0 GCADHM CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825499644 607652560 /nfs/dbraw/zinc/65/25/60/607652560.db2.gz PRRKQAIVQNPEGL-UHFFFAOYSA-N -1 3 395.441 0.254 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC000826302852 607655003 /nfs/dbraw/zinc/65/50/03/607655003.db2.gz UPHQTPIXXRZAGH-QJPTWQEYSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826302852 607655004 /nfs/dbraw/zinc/65/50/04/607655004.db2.gz UPHQTPIXXRZAGH-QJPTWQEYSA-N -1 3 376.442 0.463 20 0 GCADHM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826138412 607656194 /nfs/dbraw/zinc/65/61/94/607656194.db2.gz UCGQZIWDWAXOFX-UHFFFAOYSA-N -1 3 381.414 0.209 20 0 GCADHM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826138412 607656195 /nfs/dbraw/zinc/65/61/95/607656195.db2.gz UCGQZIWDWAXOFX-UHFFFAOYSA-N -1 3 381.414 0.209 20 0 GCADHM NC(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826392139 607661617 /nfs/dbraw/zinc/66/16/17/607661617.db2.gz OKTCZKTYRHZPGS-UHFFFAOYSA-N -1 3 385.837 0.342 20 0 GCADHM CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)S(C)(=O)=O ZINC000824158146 607661702 /nfs/dbraw/zinc/66/17/02/607661702.db2.gz SJBPDRNUVLSXKA-UHFFFAOYSA-N -1 3 377.423 0.107 20 0 GCADHM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826390040 607662869 /nfs/dbraw/zinc/66/28/69/607662869.db2.gz OMXJZWZUGHTPNL-GXSJLCMTSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826390040 607662871 /nfs/dbraw/zinc/66/28/71/607662871.db2.gz OMXJZWZUGHTPNL-GXSJLCMTSA-N -1 3 384.849 0.843 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824442515 607666588 /nfs/dbraw/zinc/66/65/88/607666588.db2.gz WPQINSRSMMDTQA-GXSJLCMTSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824442515 607666590 /nfs/dbraw/zinc/66/65/90/607666590.db2.gz WPQINSRSMMDTQA-GXSJLCMTSA-N -1 3 387.849 0.992 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000826496998 607668010 /nfs/dbraw/zinc/66/80/10/607668010.db2.gz QMPLMMOZKFACBY-JSGCOSHPSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000826496998 607668012 /nfs/dbraw/zinc/66/80/12/607668012.db2.gz QMPLMMOZKFACBY-JSGCOSHPSA-N -1 3 397.482 0.597 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824967444 607668969 /nfs/dbraw/zinc/66/89/69/607668969.db2.gz KAAMGRHXTWQYOQ-BXUZGUMPSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824967444 607668970 /nfs/dbraw/zinc/66/89/70/607668970.db2.gz KAAMGRHXTWQYOQ-BXUZGUMPSA-N -1 3 390.469 0.792 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC(OCCCO)CC1 ZINC000826495494 607670232 /nfs/dbraw/zinc/67/02/32/607670232.db2.gz RCAIZZHVGXZCAB-UHFFFAOYSA-N -1 3 385.421 0.558 20 0 GCADHM O=C(C1CCCC1)N1CC[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826399533 607674244 /nfs/dbraw/zinc/67/42/44/607674244.db2.gz YHPQQRADXZUPFB-ZDUSSCGKSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(C1CCCC1)N1CC[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826399533 607674245 /nfs/dbraw/zinc/67/42/45/607674245.db2.gz YHPQQRADXZUPFB-ZDUSSCGKSA-N -1 3 390.469 0.936 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826102997 607675118 /nfs/dbraw/zinc/67/51/18/607675118.db2.gz BKUSCGQHXMAQBO-LBPRGKRZSA-N -1 3 397.457 0.762 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826102997 607675119 /nfs/dbraw/zinc/67/51/19/607675119.db2.gz BKUSCGQHXMAQBO-LBPRGKRZSA-N -1 3 397.457 0.762 20 0 GCADHM COCCC(=O)N1CCC(NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000826153139 607675427 /nfs/dbraw/zinc/67/54/27/607675427.db2.gz CUTUNKXFOBAABL-UHFFFAOYSA-N -1 3 394.457 0.173 20 0 GCADHM COCCC(=O)N1CCC(NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000826153139 607675428 /nfs/dbraw/zinc/67/54/28/607675428.db2.gz CUTUNKXFOBAABL-UHFFFAOYSA-N -1 3 394.457 0.173 20 0 GCADHM CCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825465810 607678060 /nfs/dbraw/zinc/67/80/60/607678060.db2.gz RBJXHJNQULHCSM-UHFFFAOYSA-N -1 3 386.865 0.961 20 0 GCADHM CCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825465810 607678061 /nfs/dbraw/zinc/67/80/61/607678061.db2.gz RBJXHJNQULHCSM-UHFFFAOYSA-N -1 3 386.865 0.961 20 0 GCADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000826116619 607678130 /nfs/dbraw/zinc/67/81/30/607678130.db2.gz BYSVOAPZTFUPHH-CQSZACIVSA-N -1 3 395.441 0.110 20 0 GCADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000826116619 607678131 /nfs/dbraw/zinc/67/81/31/607678131.db2.gz BYSVOAPZTFUPHH-CQSZACIVSA-N -1 3 395.441 0.110 20 0 GCADHM O=S(=O)(NCc1cccc(-c2nn[n-]n2)c1)c1cnn([C@H]2CCOC2)c1 ZINC000826491929 607682259 /nfs/dbraw/zinc/68/22/59/607682259.db2.gz KHHFHAWNWTYCQX-ZDUSSCGKSA-N -1 3 375.414 0.503 20 0 GCADHM O=S(=O)(NCc1cccc(-c2nn[n-]n2)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000826491928 607682652 /nfs/dbraw/zinc/68/26/52/607682652.db2.gz KHHFHAWNWTYCQX-CYBMUJFWSA-N -1 3 375.414 0.503 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000826246251 607684869 /nfs/dbraw/zinc/68/48/69/607684869.db2.gz XWPKLUITARVSTI-RDJZCZTQSA-N -1 3 399.499 0.652 20 0 GCADHM COCCn1cc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cn1 ZINC000826163883 607687672 /nfs/dbraw/zinc/68/76/72/607687672.db2.gz PUEOBHHRRFLHIU-UHFFFAOYSA-N -1 3 381.393 0.327 20 0 GCADHM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826389268 607689190 /nfs/dbraw/zinc/68/91/90/607689190.db2.gz UBXDYHTVTBVFKM-HNNXBMFYSA-N -1 3 380.412 0.179 20 0 GCADHM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826389268 607689192 /nfs/dbraw/zinc/68/91/92/607689192.db2.gz UBXDYHTVTBVFKM-HNNXBMFYSA-N -1 3 380.412 0.179 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 ZINC000826244850 607689302 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ZINC000826038573 607749610 /nfs/dbraw/zinc/74/96/10/607749610.db2.gz QXCPVIZQPOKSIX-LLVKDONJSA-N -1 3 390.448 0.476 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCc2nncn2C)cc1-c1nnn[n-]1 ZINC000825538422 607766140 /nfs/dbraw/zinc/76/61/40/607766140.db2.gz GYKUXFIETUUHHS-UHFFFAOYSA-N -1 3 386.376 0.885 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCc2nncn2C)cc1-c1nn[n-]n1 ZINC000825538422 607766141 /nfs/dbraw/zinc/76/61/41/607766141.db2.gz GYKUXFIETUUHHS-UHFFFAOYSA-N -1 3 386.376 0.885 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC[C@H]2COCCO2)cc1-c1nnn[n-]1 ZINC000825538371 607766155 /nfs/dbraw/zinc/76/61/55/607766155.db2.gz GBKAEEFADMTBCC-NSHDSACASA-N -1 3 391.388 0.972 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC[C@H]2COCCO2)cc1-c1nn[n-]n1 ZINC000825538371 607766156 /nfs/dbraw/zinc/76/61/56/607766156.db2.gz GBKAEEFADMTBCC-NSHDSACASA-N -1 3 391.388 0.972 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N2CCN(C)C(=O)C2)cc1-c1nnn[n-]1 ZINC000825539960 607766346 /nfs/dbraw/zinc/76/63/46/607766346.db2.gz TVRZHUFBYPHVGV-UHFFFAOYSA-N -1 3 388.388 0.741 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N2CCN(C)C(=O)C2)cc1-c1nn[n-]n1 ZINC000825539960 607766347 /nfs/dbraw/zinc/76/63/47/607766347.db2.gz TVRZHUFBYPHVGV-UHFFFAOYSA-N -1 3 388.388 0.741 20 0 GCADHM CC(C)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1nc(-c2nc[nH]n2)no1 ZINC000824199073 607767479 /nfs/dbraw/zinc/76/74/79/607767479.db2.gz GXIMGURITCFBSP-JTQLQIEISA-N -1 3 381.360 0.557 20 0 GCADHM CC(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1nc(-c2nc[nH]n2)no1 ZINC000824199073 607767480 /nfs/dbraw/zinc/76/74/80/607767480.db2.gz GXIMGURITCFBSP-JTQLQIEISA-N -1 3 381.360 0.557 20 0 GCADHM COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])C1 ZINC000833707849 605689955 /nfs/dbraw/zinc/68/99/55/605689955.db2.gz MWXYQYFIQUZMJE-MBNYWOFBSA-N -1 3 381.381 0.493 20 0 GCADHM NC(=O)Cn1cc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)nn1 ZINC000826392389 607770645 /nfs/dbraw/zinc/77/06/45/607770645.db2.gz WTISHKSAMWIRLE-UHFFFAOYSA-N -1 3 396.396 0.319 20 0 GCADHM NC(=O)Cn1cc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)nn1 ZINC000826392389 607770646 /nfs/dbraw/zinc/77/06/46/607770646.db2.gz WTISHKSAMWIRLE-UHFFFAOYSA-N -1 3 396.396 0.319 20 0 GCADHM O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822918010 606028262 /nfs/dbraw/zinc/02/82/62/606028262.db2.gz XLCWIIDCOJCNEN-QGZVFWFLSA-N -1 3 393.407 0.750 20 0 GCADHM O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000822918010 606028265 /nfs/dbraw/zinc/02/82/65/606028265.db2.gz XLCWIIDCOJCNEN-QGZVFWFLSA-N -1 3 393.407 0.750 20 0 GCADHM COCCNC(=O)CN1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000821691460 606029982 /nfs/dbraw/zinc/02/99/82/606029982.db2.gz VFUIYGAAIWYJNH-UHFFFAOYSA-N -1 3 396.455 0.300 20 0 GCADHM COCCNC(=O)CN1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000821691460 606029985 /nfs/dbraw/zinc/02/99/85/606029985.db2.gz VFUIYGAAIWYJNH-UHFFFAOYSA-N -1 3 396.455 0.300 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822528025 606031330 /nfs/dbraw/zinc/03/13/30/606031330.db2.gz PPPKUSPYIUGRIP-UHFFFAOYSA-N -1 3 390.429 0.377 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000822528025 606031333 /nfs/dbraw/zinc/03/13/33/606031333.db2.gz PPPKUSPYIUGRIP-UHFFFAOYSA-N -1 3 390.429 0.377 20 0 GCADHM CNC(=O)c1ccc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)nn1 ZINC000821635182 606035454 /nfs/dbraw/zinc/03/54/54/606035454.db2.gz PUHLMYOMFZREDT-UHFFFAOYSA-N -1 3 383.391 0.482 20 0 GCADHM CNC(=O)c1ccc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)nn1 ZINC000821635182 606035459 /nfs/dbraw/zinc/03/54/59/606035459.db2.gz PUHLMYOMFZREDT-UHFFFAOYSA-N -1 3 383.391 0.482 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000823144586 606051634 /nfs/dbraw/zinc/05/16/34/606051634.db2.gz JKMRIVAFAADPSO-UHFFFAOYSA-N -1 3 392.423 0.342 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000823144586 606051640 /nfs/dbraw/zinc/05/16/40/606051640.db2.gz JKMRIVAFAADPSO-UHFFFAOYSA-N -1 3 392.423 0.342 20 0 GCADHM Cn1cc(N2CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)CC2)cn1 ZINC000822680341 606059129 /nfs/dbraw/zinc/05/91/29/606059129.db2.gz LXRJPMTWVARTRC-UHFFFAOYSA-N -1 3 385.407 0.771 20 0 GCADHM Cn1cc(N2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)CC2)cn1 ZINC000822680341 606059133 /nfs/dbraw/zinc/05/91/33/606059133.db2.gz LXRJPMTWVARTRC-UHFFFAOYSA-N -1 3 385.407 0.771 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(c2nccn2C)CC1 ZINC000819877220 606062927 /nfs/dbraw/zinc/06/29/27/606062927.db2.gz RDSFBVLMOYBADC-CYBMUJFWSA-N -1 3 381.444 0.749 20 0 GCADHM NS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000822890166 606072839 /nfs/dbraw/zinc/07/28/39/606072839.db2.gz NPJJOBDLQOBAIO-JTQLQIEISA-N -1 3 399.864 0.212 20 0 GCADHM NS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000822890166 606072844 /nfs/dbraw/zinc/07/28/44/606072844.db2.gz NPJJOBDLQOBAIO-JTQLQIEISA-N -1 3 399.864 0.212 20 0 GCADHM COC(=O)C[C@H]1CSCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821660134 606082977 /nfs/dbraw/zinc/08/29/77/606082977.db2.gz GZJFLKLVAZTXQX-ZDUSSCGKSA-N -1 3 376.442 0.786 20 0 GCADHM COC(=O)C[C@H]1CSCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821660134 606082979 /nfs/dbraw/zinc/08/29/79/606082979.db2.gz GZJFLKLVAZTXQX-ZDUSSCGKSA-N -1 3 376.442 0.786 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC(NC(N)=O)CC1 ZINC000819866583 606087271 /nfs/dbraw/zinc/08/72/71/606087271.db2.gz OBIPCDRISHRLDY-VIFPVBQESA-N -1 3 392.851 0.980 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC(NC(N)=O)CC1 ZINC000819866583 606087274 /nfs/dbraw/zinc/08/72/74/606087274.db2.gz OBIPCDRISHRLDY-VIFPVBQESA-N -1 3 392.851 0.980 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(C(C)(C)C(N)=O)CC1 ZINC000821702278 606094198 /nfs/dbraw/zinc/09/41/98/606094198.db2.gz ODFNSTSPXCICBX-UHFFFAOYSA-N -1 3 389.460 0.136 20 0 GCADHM Cc1cc(NC(=O)C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000822207045 606113612 /nfs/dbraw/zinc/11/36/12/606113612.db2.gz JIKSCXVOYITHOV-UHFFFAOYSA-N -1 3 396.411 0.887 20 0 GCADHM Cc1cc(NC(=O)C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000822207045 606113615 /nfs/dbraw/zinc/11/36/15/606113615.db2.gz JIKSCXVOYITHOV-UHFFFAOYSA-N -1 3 396.411 0.887 20 0 GCADHM Cc1sc(NC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000822558302 606114268 /nfs/dbraw/zinc/11/42/68/606114268.db2.gz OFYTUAAGXURFHT-LLVKDONJSA-N -1 3 398.514 0.850 20 0 GCADHM Cc1sc(NC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000822558302 606114270 /nfs/dbraw/zinc/11/42/70/606114270.db2.gz OFYTUAAGXURFHT-LLVKDONJSA-N -1 3 398.514 0.850 20 0 GCADHM O=S(=O)(CCN1CCN(CCCCO)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562992 606114967 /nfs/dbraw/zinc/11/49/67/606114967.db2.gz YGVAHMVVKYIDLW-UHFFFAOYSA-N -1 3 394.501 0.031 20 0 GCADHM O=S(=O)(CCN1CCN(CCCCO)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562992 606114970 /nfs/dbraw/zinc/11/49/70/606114970.db2.gz YGVAHMVVKYIDLW-UHFFFAOYSA-N -1 3 394.501 0.031 20 0 GCADHM C[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321546 606117050 /nfs/dbraw/zinc/11/70/50/606117050.db2.gz IDKINAHFFCXQBK-QFYYESIMSA-N -1 3 399.436 0.774 20 0 GCADHM C[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321546 606117051 /nfs/dbraw/zinc/11/70/51/606117051.db2.gz IDKINAHFFCXQBK-QFYYESIMSA-N -1 3 399.436 0.774 20 0 GCADHM Cn1cc(N2CCN(C(=O)CSc3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000822679512 606117671 /nfs/dbraw/zinc/11/76/71/606117671.db2.gz DYDVUCSAGMXZHV-UHFFFAOYSA-N -1 3 398.452 0.568 20 0 GCADHM Cn1cc(N2CCN(C(=O)CSc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822679512 606117673 /nfs/dbraw/zinc/11/76/73/606117673.db2.gz DYDVUCSAGMXZHV-UHFFFAOYSA-N -1 3 398.452 0.568 20 0 GCADHM CN1CCOc2ccc(NC(=O)C(=O)NCc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000821628497 606118882 /nfs/dbraw/zinc/11/88/82/606118882.db2.gz JYPSJMOLWOSHDK-UHFFFAOYSA-N -1 3 393.407 0.950 20 0 GCADHM CN1CCOc2ccc(NC(=O)C(=O)NCc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000821628497 606118884 /nfs/dbraw/zinc/11/88/84/606118884.db2.gz JYPSJMOLWOSHDK-UHFFFAOYSA-N -1 3 393.407 0.950 20 0 GCADHM COc1ncc(C)cc1NC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821910821 606118996 /nfs/dbraw/zinc/11/89/96/606118996.db2.gz HLGNGGHTKVTMRX-UHFFFAOYSA-N -1 3 385.359 0.973 20 0 GCADHM COc1ncc(C)cc1NC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821910821 606118997 /nfs/dbraw/zinc/11/89/97/606118997.db2.gz HLGNGGHTKVTMRX-UHFFFAOYSA-N -1 3 385.359 0.973 20 0 GCADHM CNC(=O)CC1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000821631816 606119044 /nfs/dbraw/zinc/11/90/44/606119044.db2.gz UKOJLCRXQNWDGV-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CNC(=O)CC1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000821631816 606119046 /nfs/dbraw/zinc/11/90/46/606119046.db2.gz UKOJLCRXQNWDGV-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCCNC1=O ZINC000823331236 606119323 /nfs/dbraw/zinc/11/93/23/606119323.db2.gz DBXVLBJHIPQJDV-LLVKDONJSA-N -1 3 377.792 0.244 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCCNC1=O ZINC000823331236 606119325 /nfs/dbraw/zinc/11/93/25/606119325.db2.gz DBXVLBJHIPQJDV-LLVKDONJSA-N -1 3 377.792 0.244 20 0 GCADHM Cc1csc(NC(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000822414672 606119633 /nfs/dbraw/zinc/11/96/33/606119633.db2.gz PGMVLBZWFZCOPH-UHFFFAOYSA-N -1 3 399.440 0.314 20 0 GCADHM Cc1csc(NC(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000822414672 606119634 /nfs/dbraw/zinc/11/96/34/606119634.db2.gz PGMVLBZWFZCOPH-UHFFFAOYSA-N -1 3 399.440 0.314 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000823309267 606119640 /nfs/dbraw/zinc/11/96/40/606119640.db2.gz VQJGRJXJMORKBR-OAHLLOKOSA-N -1 3 385.428 0.128 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000823309267 606119641 /nfs/dbraw/zinc/11/96/41/606119641.db2.gz VQJGRJXJMORKBR-OAHLLOKOSA-N -1 3 385.428 0.128 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000822673999 606120814 /nfs/dbraw/zinc/12/08/14/606120814.db2.gz JGHDAALZGDVZOL-GFCCVEGCSA-N -1 3 380.412 0.630 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822673999 606120815 /nfs/dbraw/zinc/12/08/15/606120815.db2.gz JGHDAALZGDVZOL-GFCCVEGCSA-N -1 3 380.412 0.630 20 0 GCADHM O=C(Nc1ccccc1Oc1ncccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](O)C1 ZINC000823373264 606121555 /nfs/dbraw/zinc/12/15/55/606121555.db2.gz VJLYMBAPRPVAHW-LLVKDONJSA-N -1 3 395.379 0.586 20 0 GCADHM NC(=O)Nc1ccc(CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822880270 606122075 /nfs/dbraw/zinc/12/20/75/606122075.db2.gz MEDOMYRYDQHFRD-UHFFFAOYSA-N -1 3 387.425 0.977 20 0 GCADHM NC(=O)Nc1ccc(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822880270 606122077 /nfs/dbraw/zinc/12/20/77/606122077.db2.gz MEDOMYRYDQHFRD-UHFFFAOYSA-N -1 3 387.425 0.977 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820294155 606123099 /nfs/dbraw/zinc/12/30/99/606123099.db2.gz RRGGMCQMFPEMIX-LBPRGKRZSA-N -1 3 393.469 0.917 20 0 GCADHM COCCCS(=O)(=O)NCCOC(=O)c1sccc1-c1nnn[n-]1 ZINC000821688546 606129767 /nfs/dbraw/zinc/12/97/67/606129767.db2.gz PBTXUKGUNNGSLC-UHFFFAOYSA-N -1 3 375.432 0.041 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)O[C@H]1CCN(C2CCOCC2)C1=O ZINC000823044634 606130256 /nfs/dbraw/zinc/13/02/56/606130256.db2.gz XTWCPGQRDMNICU-HNNXBMFYSA-N -1 3 387.396 0.569 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)O[C@H]1CCN(C2CCOCC2)C1=O ZINC000823044634 606130258 /nfs/dbraw/zinc/13/02/58/606130258.db2.gz XTWCPGQRDMNICU-HNNXBMFYSA-N -1 3 387.396 0.569 20 0 GCADHM CNC(=O)Cc1noc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821633917 606130829 /nfs/dbraw/zinc/13/08/29/606130829.db2.gz KCTQOSNAVZUOQF-UHFFFAOYSA-N -1 3 389.397 0.374 20 0 GCADHM CNC(=O)Cc1noc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821633917 606130831 /nfs/dbraw/zinc/13/08/31/606130831.db2.gz KCTQOSNAVZUOQF-UHFFFAOYSA-N -1 3 389.397 0.374 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000819789218 606131451 /nfs/dbraw/zinc/13/14/51/606131451.db2.gz KMPBUICASHTQFM-SFHVURJKSA-N -1 3 386.412 0.285 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000819789218 606131453 /nfs/dbraw/zinc/13/14/53/606131453.db2.gz KMPBUICASHTQFM-SFHVURJKSA-N -1 3 386.412 0.285 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000819789747 606131945 /nfs/dbraw/zinc/13/19/45/606131945.db2.gz WVWPDIUSULKLNQ-ZMZPIMSZSA-N -1 3 386.412 0.995 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000819789747 606131948 /nfs/dbraw/zinc/13/19/48/606131948.db2.gz WVWPDIUSULKLNQ-ZMZPIMSZSA-N -1 3 386.412 0.995 20 0 GCADHM CCn1cnc(S(=O)(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821566840 606143708 /nfs/dbraw/zinc/14/37/08/606143708.db2.gz WOHXECKHWHVFRV-UHFFFAOYSA-N -1 3 391.457 0.920 20 0 GCADHM CCn1cnc(S(=O)(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821566840 606143709 /nfs/dbraw/zinc/14/37/09/606143709.db2.gz WOHXECKHWHVFRV-UHFFFAOYSA-N -1 3 391.457 0.920 20 0 GCADHM O=C(COC(=O)Cc1cccc(-c2nnn[n-]2)c1)NC(=O)NCc1ccccc1 ZINC000823022940 606144148 /nfs/dbraw/zinc/14/41/48/606144148.db2.gz RGCMXMHJSCDYNB-UHFFFAOYSA-N -1 3 394.391 0.978 20 0 GCADHM O=C(COC(=O)Cc1cccc(-c2nn[n-]n2)c1)NC(=O)NCc1ccccc1 ZINC000823022940 606144150 /nfs/dbraw/zinc/14/41/50/606144150.db2.gz RGCMXMHJSCDYNB-UHFFFAOYSA-N -1 3 394.391 0.978 20 0 GCADHM COC(=O)C[C@H](C)N1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000821657116 606144738 /nfs/dbraw/zinc/14/47/38/606144738.db2.gz ICDWSOLSURDCOE-LBPRGKRZSA-N -1 3 394.457 0.125 20 0 GCADHM COC(=O)C[C@H](C)N1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000821657116 606144740 /nfs/dbraw/zinc/14/47/40/606144740.db2.gz ICDWSOLSURDCOE-LBPRGKRZSA-N -1 3 394.457 0.125 20 0 GCADHM Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)C2)cn1 ZINC000822673821 606145156 /nfs/dbraw/zinc/14/51/56/606145156.db2.gz CMXXZHRTMPUDMK-NSHDSACASA-N -1 3 391.432 0.993 20 0 GCADHM Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)C2)cn1 ZINC000822673821 606145158 /nfs/dbraw/zinc/14/51/58/606145158.db2.gz CMXXZHRTMPUDMK-NSHDSACASA-N -1 3 391.432 0.993 20 0 GCADHM Cc1cc(=O)n2nc(COC(=O)Cc3cccc(-c4nnn[n-]4)c3)sc2n1 ZINC000822161511 606146239 /nfs/dbraw/zinc/14/62/39/606146239.db2.gz PVCYNTDMSMHQAT-UHFFFAOYSA-N -1 3 383.393 0.925 20 0 GCADHM Cc1cc(=O)n2nc(COC(=O)Cc3cccc(-c4nn[n-]n4)c3)sc2n1 ZINC000822161511 606146241 /nfs/dbraw/zinc/14/62/41/606146241.db2.gz PVCYNTDMSMHQAT-UHFFFAOYSA-N -1 3 383.393 0.925 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCN(C2CCOCC2)CC1 ZINC000823607164 606147441 /nfs/dbraw/zinc/14/74/41/606147441.db2.gz RHGFGTNJJJTCCW-UHFFFAOYSA-N -1 3 378.458 0.352 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCN(C2CCOCC2)CC1 ZINC000823607164 606147443 /nfs/dbraw/zinc/14/74/43/606147443.db2.gz RHGFGTNJJJTCCW-UHFFFAOYSA-N -1 3 378.458 0.352 20 0 GCADHM COC(=O)c1cn(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)nn1 ZINC000821671161 606150839 /nfs/dbraw/zinc/15/08/39/606150839.db2.gz KMYNAJAXHUULLE-UHFFFAOYSA-N -1 3 384.400 0.682 20 0 GCADHM COC(=O)c1cn(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)nn1 ZINC000821671161 606150840 /nfs/dbraw/zinc/15/08/40/606150840.db2.gz KMYNAJAXHUULLE-UHFFFAOYSA-N -1 3 384.400 0.682 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000821762645 606152265 /nfs/dbraw/zinc/15/22/65/606152265.db2.gz ODZXUXDVQYFSMG-UHFFFAOYSA-N -1 3 397.399 0.490 20 0 GCADHM Cn1cccc1CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822694224 606159833 /nfs/dbraw/zinc/15/98/33/606159833.db2.gz ZEMYHUCAILJZOB-UHFFFAOYSA-N -1 3 387.469 0.712 20 0 GCADHM Cn1cccc1CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822694224 606159835 /nfs/dbraw/zinc/15/98/35/606159835.db2.gz ZEMYHUCAILJZOB-UHFFFAOYSA-N -1 3 387.469 0.712 20 0 GCADHM C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380700 606161346 /nfs/dbraw/zinc/16/13/46/606161346.db2.gz YWWZNMRGGBOIJY-SNVBAGLBSA-N -1 3 384.404 0.429 20 0 GCADHM C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380700 606161348 /nfs/dbraw/zinc/16/13/48/606161348.db2.gz YWWZNMRGGBOIJY-SNVBAGLBSA-N -1 3 384.404 0.429 20 0 GCADHM Cn1ncc2cc(C(=O)OCC(=O)NCc3ccc(-c4nnn[n-]4)cc3)cnc21 ZINC000822709031 606167797 /nfs/dbraw/zinc/16/77/97/606167797.db2.gz FNPUSJFGSIGBMO-UHFFFAOYSA-N -1 3 392.379 0.622 20 0 GCADHM Cn1ncc2cc(C(=O)OCC(=O)NCc3ccc(-c4nn[n-]n4)cc3)cnc21 ZINC000822709031 606167798 /nfs/dbraw/zinc/16/77/98/606167798.db2.gz FNPUSJFGSIGBMO-UHFFFAOYSA-N -1 3 392.379 0.622 20 0 GCADHM C[C@@H]1CN(C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000820741925 606171914 /nfs/dbraw/zinc/17/19/14/606171914.db2.gz GLEMQEHLNWKFEJ-GHMZBOCLSA-N -1 3 377.453 0.610 20 0 GCADHM C[C@@H]1CN(C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000820741925 606171915 /nfs/dbraw/zinc/17/19/15/606171915.db2.gz GLEMQEHLNWKFEJ-GHMZBOCLSA-N -1 3 377.453 0.610 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCN2CCN(c3ccccc3)CC2)n1 ZINC000822613773 606172552 /nfs/dbraw/zinc/17/25/52/606172552.db2.gz HBKXPZISYXFIKY-UHFFFAOYSA-N -1 3 396.459 0.544 20 0 GCADHM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCN2CCN(c3ccccc3)CC2)n1 ZINC000822613773 606172553 /nfs/dbraw/zinc/17/25/53/606172553.db2.gz HBKXPZISYXFIKY-UHFFFAOYSA-N -1 3 396.459 0.544 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1=O ZINC000820126632 606174323 /nfs/dbraw/zinc/17/43/23/606174323.db2.gz BUEZHTCJPMFCBH-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1=O ZINC000820126632 606174325 /nfs/dbraw/zinc/17/43/25/606174325.db2.gz BUEZHTCJPMFCBH-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM CO[C@H](C)c1noc(CN(C)S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821675728 606175480 /nfs/dbraw/zinc/17/54/80/606175480.db2.gz RXEDLDPALQJFEV-SNVBAGLBSA-N -1 3 393.429 0.919 20 0 GCADHM CO[C@H](C)c1noc(CN(C)S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821675728 606175481 /nfs/dbraw/zinc/17/54/81/606175481.db2.gz RXEDLDPALQJFEV-SNVBAGLBSA-N -1 3 393.429 0.919 20 0 GCADHM CC1(C)C(=O)N(Cc2cn3ccccc3c2-c2nnn[n-]2)C(=O)N1CC(N)=O ZINC000820578236 606176736 /nfs/dbraw/zinc/17/67/36/606176736.db2.gz YOTYBFOIVADCNX-UHFFFAOYSA-N -1 3 382.384 0.148 20 0 GCADHM CC1(C)C(=O)N(Cc2cn3ccccc3c2-c2nn[n-]n2)C(=O)N1CC(N)=O ZINC000820578236 606176737 /nfs/dbraw/zinc/17/67/37/606176737.db2.gz YOTYBFOIVADCNX-UHFFFAOYSA-N -1 3 382.384 0.148 20 0 GCADHM CO[C@@H](C)c1noc(C[S@@](=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821675194 606180822 /nfs/dbraw/zinc/18/08/22/606180822.db2.gz FTPLFEFPGGNXNC-RWXBIINUSA-N -1 3 391.413 0.845 20 0 GCADHM CO[C@@H](C)c1noc(C[S@@](=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821675194 606180823 /nfs/dbraw/zinc/18/08/23/606180823.db2.gz FTPLFEFPGGNXNC-RWXBIINUSA-N -1 3 391.413 0.845 20 0 GCADHM CNC(=O)C1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821631271 606186061 /nfs/dbraw/zinc/18/60/61/606186061.db2.gz DGIXVBFHVPFTOS-UHFFFAOYSA-N -1 3 378.458 0.098 20 0 GCADHM CNC(=O)C1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821631271 606186062 /nfs/dbraw/zinc/18/60/62/606186062.db2.gz DGIXVBFHVPFTOS-UHFFFAOYSA-N -1 3 378.458 0.098 20 0 GCADHM CNC(=O)[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821631311 606186135 /nfs/dbraw/zinc/18/61/35/606186135.db2.gz FNKBGIBBDXVGGT-AWEZNQCLSA-N -1 3 378.458 0.241 20 0 GCADHM CNC(=O)[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821631311 606186137 /nfs/dbraw/zinc/18/61/37/606186137.db2.gz FNKBGIBBDXVGGT-AWEZNQCLSA-N -1 3 378.458 0.241 20 0 GCADHM C[C@H]1CN=C(N2CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)S1 ZINC000820803887 606186112 /nfs/dbraw/zinc/18/61/12/606186112.db2.gz JIHLMRQMLIIRKL-JTQLQIEISA-N -1 3 392.514 0.976 20 0 GCADHM C[C@H]1CN=C(N2CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)S1 ZINC000820803887 606186113 /nfs/dbraw/zinc/18/61/13/606186113.db2.gz JIHLMRQMLIIRKL-JTQLQIEISA-N -1 3 392.514 0.976 20 0 GCADHM O=S(=O)(CCN1CCC2(CC1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000823563008 606186660 /nfs/dbraw/zinc/18/66/60/606186660.db2.gz YPXQMQYJENACQR-UHFFFAOYSA-N -1 3 379.442 0.479 20 0 GCADHM O=S(=O)(CCN1CCC2(CC1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000823563008 606186661 /nfs/dbraw/zinc/18/66/61/606186661.db2.gz YPXQMQYJENACQR-UHFFFAOYSA-N -1 3 379.442 0.479 20 0 GCADHM C[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC000820481695 606187084 /nfs/dbraw/zinc/18/70/84/606187084.db2.gz YJLATBFBKDTWQI-ZIAGYGMSSA-N -1 3 394.501 0.027 20 0 GCADHM C[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC000820481695 606187086 /nfs/dbraw/zinc/18/70/86/606187086.db2.gz YJLATBFBKDTWQI-ZIAGYGMSSA-N -1 3 394.501 0.027 20 0 GCADHM O=S(=O)(CCN(CCCO)CC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823557496 606188284 /nfs/dbraw/zinc/18/82/84/606188284.db2.gz LVFGYZQIUPLSJD-UHFFFAOYSA-N -1 3 393.391 0.887 20 0 GCADHM O=S(=O)(CCN(CCCO)CC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000823557496 606188286 /nfs/dbraw/zinc/18/82/86/606188286.db2.gz LVFGYZQIUPLSJD-UHFFFAOYSA-N -1 3 393.391 0.887 20 0 GCADHM NC(=O)C[C@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822865078 606188319 /nfs/dbraw/zinc/18/83/19/606188319.db2.gz URLMZCDRKNWENM-CYBMUJFWSA-N -1 3 378.458 0.370 20 0 GCADHM NC(=O)C[C@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822865078 606188321 /nfs/dbraw/zinc/18/83/21/606188321.db2.gz URLMZCDRKNWENM-CYBMUJFWSA-N -1 3 378.458 0.370 20 0 GCADHM CC[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820933010 606189439 /nfs/dbraw/zinc/18/94/39/606189439.db2.gz SIWCLYWVZKLWTG-OAHLLOKOSA-N -1 3 394.501 0.029 20 0 GCADHM CC[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820933010 606189441 /nfs/dbraw/zinc/18/94/41/606189441.db2.gz SIWCLYWVZKLWTG-OAHLLOKOSA-N -1 3 394.501 0.029 20 0 GCADHM COCCOC[C@H]1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821692494 606191111 /nfs/dbraw/zinc/19/11/11/606191111.db2.gz ZKYNSAWUOGTALR-AWEZNQCLSA-N -1 3 395.485 0.625 20 0 GCADHM COCCOC[C@H]1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821692494 606191114 /nfs/dbraw/zinc/19/11/14/606191114.db2.gz ZKYNSAWUOGTALR-AWEZNQCLSA-N -1 3 395.485 0.625 20 0 GCADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000821123781 606193080 /nfs/dbraw/zinc/19/30/80/606193080.db2.gz YJJUUFOPZVOSOH-UHFFFAOYSA-N -1 3 384.400 0.188 20 0 GCADHM CN(Cc1nnc2n1CCC2)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821617896 606195238 /nfs/dbraw/zinc/19/52/38/606195238.db2.gz HFDYWBOTJFJTIX-AWEZNQCLSA-N -1 3 379.428 0.642 20 0 GCADHM CN(Cc1nnc2n1CCC2)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821617896 606195240 /nfs/dbraw/zinc/19/52/40/606195240.db2.gz HFDYWBOTJFJTIX-AWEZNQCLSA-N -1 3 379.428 0.642 20 0 GCADHM c1coc(-c2nc(-c3nnn[n-]3)c(N3CCN(C[C@H]4COCCO4)CC3)o2)c1 ZINC000823816335 606196376 /nfs/dbraw/zinc/19/63/76/606196376.db2.gz TVXQZQWBUAWTCH-LBPRGKRZSA-N -1 3 387.400 0.652 20 0 GCADHM c1coc(-c2nc(-c3nn[n-]n3)c(N3CCN(C[C@H]4COCCO4)CC3)o2)c1 ZINC000823816335 606196378 /nfs/dbraw/zinc/19/63/78/606196378.db2.gz TVXQZQWBUAWTCH-LBPRGKRZSA-N -1 3 387.400 0.652 20 0 GCADHM COCCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)CC(=O)OC ZINC000821689311 606200296 /nfs/dbraw/zinc/20/02/96/606200296.db2.gz VTIJQJBDVLQJNJ-UHFFFAOYSA-N -1 3 382.446 0.605 20 0 GCADHM COCCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)CC(=O)OC ZINC000821689311 606200300 /nfs/dbraw/zinc/20/03/00/606200300.db2.gz VTIJQJBDVLQJNJ-UHFFFAOYSA-N -1 3 382.446 0.605 20 0 GCADHM CCCCn1c(N)c(N(C)C(=O)c2cc(-c3nnn[n-]3)cn2C)c(=O)[nH]c1=O ZINC000821083094 606208493 /nfs/dbraw/zinc/20/84/93/606208493.db2.gz TZFUAPYAPMUAFN-UHFFFAOYSA-N -1 3 387.404 0.126 20 0 GCADHM CCCCn1c(N)c(N(C)C(=O)c2cc(-c3nn[n-]n3)cn2C)c(=O)[nH]c1=O ZINC000821083094 606208494 /nfs/dbraw/zinc/20/84/94/606208494.db2.gz TZFUAPYAPMUAFN-UHFFFAOYSA-N -1 3 387.404 0.126 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000820012288 606216058 /nfs/dbraw/zinc/21/60/58/606216058.db2.gz XPNPVFUONWUJMR-LLVKDONJSA-N -1 3 393.473 0.255 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000820012288 606216060 /nfs/dbraw/zinc/21/60/60/606216060.db2.gz XPNPVFUONWUJMR-LLVKDONJSA-N -1 3 393.473 0.255 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000820012289 606216141 /nfs/dbraw/zinc/21/61/41/606216141.db2.gz XPNPVFUONWUJMR-NSHDSACASA-N -1 3 393.473 0.255 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000820012289 606216143 /nfs/dbraw/zinc/21/61/43/606216143.db2.gz XPNPVFUONWUJMR-NSHDSACASA-N -1 3 393.473 0.255 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000822650728 606217370 /nfs/dbraw/zinc/21/73/70/606217370.db2.gz YWTIGOYTZJYNSC-UHFFFAOYSA-N -1 3 387.425 0.898 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000822650728 606217371 /nfs/dbraw/zinc/21/73/71/606217371.db2.gz YWTIGOYTZJYNSC-UHFFFAOYSA-N -1 3 387.425 0.898 20 0 GCADHM C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)cn3C)cn2)CCO1 ZINC000820769070 606227270 /nfs/dbraw/zinc/22/72/70/606227270.db2.gz RCHREIIJOYGOIO-LBPRGKRZSA-N -1 3 382.428 0.755 20 0 GCADHM C[C@H]1CN(c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)cn3C)cn2)CCO1 ZINC000820769070 606227273 /nfs/dbraw/zinc/22/72/73/606227273.db2.gz RCHREIIJOYGOIO-LBPRGKRZSA-N -1 3 382.428 0.755 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC[C@H]1COc2ccccc2O1 ZINC000823022202 606228044 /nfs/dbraw/zinc/22/80/44/606228044.db2.gz AGLZNIXTDOLDAG-NSHDSACASA-N -1 3 384.352 0.308 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC[C@H]1COc2ccccc2O1 ZINC000823022202 606228045 /nfs/dbraw/zinc/22/80/45/606228045.db2.gz AGLZNIXTDOLDAG-NSHDSACASA-N -1 3 384.352 0.308 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000822649467 606228559 /nfs/dbraw/zinc/22/85/59/606228559.db2.gz CIZFFSVYVMSBHQ-UHFFFAOYSA-N -1 3 387.425 0.997 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000822649467 606228561 /nfs/dbraw/zinc/22/85/61/606228561.db2.gz CIZFFSVYVMSBHQ-UHFFFAOYSA-N -1 3 387.425 0.997 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)NC(=O)NCc1ccccc1 ZINC000820501803 606230010 /nfs/dbraw/zinc/23/00/10/606230010.db2.gz LHTDOKOAGYTILD-SNVBAGLBSA-N -1 3 383.368 0.766 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)NC(=O)NCc1ccccc1 ZINC000820501803 606230011 /nfs/dbraw/zinc/23/00/11/606230011.db2.gz LHTDOKOAGYTILD-SNVBAGLBSA-N -1 3 383.368 0.766 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000820502994 606231188 /nfs/dbraw/zinc/23/11/88/606231188.db2.gz XBRWTBPXLSNZSF-JQWIXIFHSA-N -1 3 398.379 0.696 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000820502994 606231189 /nfs/dbraw/zinc/23/11/89/606231189.db2.gz XBRWTBPXLSNZSF-JQWIXIFHSA-N -1 3 398.379 0.696 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@@H](OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)C)CC1 ZINC000819797173 606232313 /nfs/dbraw/zinc/23/23/13/606232313.db2.gz ULGNCMWQTASNBH-AWEZNQCLSA-N -1 3 389.416 0.067 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@@H](OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)C)CC1 ZINC000819797173 606232314 /nfs/dbraw/zinc/23/23/14/606232314.db2.gz ULGNCMWQTASNBH-AWEZNQCLSA-N -1 3 389.416 0.067 20 0 GCADHM CCNC(=O)COc1cccc(CNC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821285980 606232608 /nfs/dbraw/zinc/23/26/08/606232608.db2.gz NHDAWOJWYBRSJN-UHFFFAOYSA-N -1 3 383.412 0.650 20 0 GCADHM CCNC(=O)COc1cccc(CNC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821285980 606232609 /nfs/dbraw/zinc/23/26/09/606232609.db2.gz NHDAWOJWYBRSJN-UHFFFAOYSA-N -1 3 383.412 0.650 20 0 GCADHM COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821668983 606232734 /nfs/dbraw/zinc/23/27/34/606232734.db2.gz SYDGWRWSBSRBFH-JTQLQIEISA-N -1 3 398.379 0.843 20 0 GCADHM COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821668983 606232736 /nfs/dbraw/zinc/23/27/36/606232736.db2.gz SYDGWRWSBSRBFH-JTQLQIEISA-N -1 3 398.379 0.843 20 0 GCADHM COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821657206 606235492 /nfs/dbraw/zinc/23/54/92/606235492.db2.gz KFWZGZYGLMITNO-WUXMJOGZSA-N -1 3 392.397 0.332 20 0 GCADHM COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821657206 606235494 /nfs/dbraw/zinc/23/54/94/606235494.db2.gz KFWZGZYGLMITNO-WUXMJOGZSA-N -1 3 392.397 0.332 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@H]1N1CCOCC1 ZINC000820769462 606237948 /nfs/dbraw/zinc/23/79/48/606237948.db2.gz SZZBUPUJGBRXJQ-BXUZGUMPSA-N -1 3 396.448 0.347 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@H]1N1CCOCC1 ZINC000820769462 606237953 /nfs/dbraw/zinc/23/79/53/606237953.db2.gz SZZBUPUJGBRXJQ-BXUZGUMPSA-N -1 3 396.448 0.347 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@H]1N1CCOCC1 ZINC000820769465 606237986 /nfs/dbraw/zinc/23/79/86/606237986.db2.gz SZZBUPUJGBRXJQ-SMDDNHRTSA-N -1 3 396.448 0.347 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@H]1N1CCOCC1 ZINC000820769465 606237988 /nfs/dbraw/zinc/23/79/88/606237988.db2.gz SZZBUPUJGBRXJQ-SMDDNHRTSA-N -1 3 396.448 0.347 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1N1CCOCC1 ZINC000820769463 606237992 /nfs/dbraw/zinc/23/79/92/606237992.db2.gz SZZBUPUJGBRXJQ-FZMZJTMJSA-N -1 3 396.448 0.347 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1N1CCOCC1 ZINC000820769463 606237994 /nfs/dbraw/zinc/23/79/94/606237994.db2.gz SZZBUPUJGBRXJQ-FZMZJTMJSA-N -1 3 396.448 0.347 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822463945 606239346 /nfs/dbraw/zinc/23/93/46/606239346.db2.gz WXXIIVPAGITLAI-LBPRGKRZSA-N -1 3 378.393 0.719 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822463945 606239347 /nfs/dbraw/zinc/23/93/47/606239347.db2.gz WXXIIVPAGITLAI-LBPRGKRZSA-N -1 3 378.393 0.719 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NCCc1nnc2ccccn21 ZINC000823566417 606239860 /nfs/dbraw/zinc/23/98/60/606239860.db2.gz GCQKNGUPPGASRB-UHFFFAOYSA-N -1 3 384.425 0.572 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCc1nnc2ccccn21 ZINC000823566417 606239861 /nfs/dbraw/zinc/23/98/61/606239861.db2.gz GCQKNGUPPGASRB-UHFFFAOYSA-N -1 3 384.425 0.572 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(O[C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822894751 606244216 /nfs/dbraw/zinc/24/42/16/606244216.db2.gz FUNGGJJQOJWDFR-LBPRGKRZSA-N -1 3 394.457 0.288 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(O[C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822894751 606244229 /nfs/dbraw/zinc/24/42/29/606244229.db2.gz FUNGGJJQOJWDFR-LBPRGKRZSA-N -1 3 394.457 0.288 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(OC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821588424 606244862 /nfs/dbraw/zinc/24/48/62/606244862.db2.gz RQEZELACEDZNKB-UHFFFAOYSA-N -1 3 376.398 0.675 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(OC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821588424 606244863 /nfs/dbraw/zinc/24/48/63/606244863.db2.gz RQEZELACEDZNKB-UHFFFAOYSA-N -1 3 376.398 0.675 20 0 GCADHM CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC000820966116 606247960 /nfs/dbraw/zinc/24/79/60/606247960.db2.gz CAIGEJNBSSOHCJ-KRWDZBQOSA-N -1 3 380.368 0.697 20 0 GCADHM CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC000820966116 606247961 /nfs/dbraw/zinc/24/79/61/606247961.db2.gz CAIGEJNBSSOHCJ-KRWDZBQOSA-N -1 3 380.368 0.697 20 0 GCADHM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820076893 606250727 /nfs/dbraw/zinc/25/07/27/606250727.db2.gz WBLRJIXSXVBEQP-CYBMUJFWSA-N -1 3 377.474 0.883 20 0 GCADHM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820076893 606250729 /nfs/dbraw/zinc/25/07/29/606250729.db2.gz WBLRJIXSXVBEQP-CYBMUJFWSA-N -1 3 377.474 0.883 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000823005551 606257060 /nfs/dbraw/zinc/25/70/60/606257060.db2.gz WGHONYWCTQYWES-NVXWUHKLSA-N -1 3 378.392 0.371 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000823005551 606257063 /nfs/dbraw/zinc/25/70/63/606257063.db2.gz WGHONYWCTQYWES-NVXWUHKLSA-N -1 3 378.392 0.371 20 0 GCADHM CCNC(=O)COc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1OC ZINC000821286243 606258210 /nfs/dbraw/zinc/25/82/10/606258210.db2.gz OXQOWESLBMVLKQ-UHFFFAOYSA-N -1 3 399.411 0.648 20 0 GCADHM CCNC(=O)COc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1OC ZINC000821286243 606258212 /nfs/dbraw/zinc/25/82/12/606258212.db2.gz OXQOWESLBMVLKQ-UHFFFAOYSA-N -1 3 399.411 0.648 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)cn3C)C2=O)n(C)n1 ZINC000822207372 606259156 /nfs/dbraw/zinc/25/91/56/606259156.db2.gz TZCNHXYMGMTHBM-LBPRGKRZSA-N -1 3 383.416 0.173 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)cn3C)C2=O)n(C)n1 ZINC000822207372 606259158 /nfs/dbraw/zinc/25/91/58/606259158.db2.gz TZCNHXYMGMTHBM-LBPRGKRZSA-N -1 3 383.416 0.173 20 0 GCADHM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC000821937055 606263894 /nfs/dbraw/zinc/26/38/94/606263894.db2.gz JCKRFDRRUGCMGA-UHFFFAOYSA-N -1 3 387.425 0.765 20 0 GCADHM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC000821937055 606263896 /nfs/dbraw/zinc/26/38/96/606263896.db2.gz JCKRFDRRUGCMGA-UHFFFAOYSA-N -1 3 387.425 0.765 20 0 GCADHM NC(=O)[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(Br)c1 ZINC000822850248 606265640 /nfs/dbraw/zinc/26/56/40/606265640.db2.gz CIFHUCIJGIMORQ-NSHDSACASA-N -1 3 390.201 0.914 20 0 GCADHM NC(=O)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(Br)c1 ZINC000822850248 606265642 /nfs/dbraw/zinc/26/56/42/606265642.db2.gz CIFHUCIJGIMORQ-NSHDSACASA-N -1 3 390.201 0.914 20 0 GCADHM C[C@@]1(c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)NC(=O)NC1=O ZINC000820629625 606266108 /nfs/dbraw/zinc/26/61/08/606266108.db2.gz YUBLSXVHUAOZLZ-KRWDZBQOSA-N -1 3 380.368 0.179 20 0 GCADHM C[C@@]1(c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)NC(=O)NC1=O ZINC000820629625 606266109 /nfs/dbraw/zinc/26/61/09/606266109.db2.gz YUBLSXVHUAOZLZ-KRWDZBQOSA-N -1 3 380.368 0.179 20 0 GCADHM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821637689 606268001 /nfs/dbraw/zinc/26/80/01/606268001.db2.gz PMUJONFNPQUDSR-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821637689 606268003 /nfs/dbraw/zinc/26/80/03/606268003.db2.gz PMUJONFNPQUDSR-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM Cn1c(=O)c2ccc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)nc2n(C)c1=O ZINC000822596761 606268630 /nfs/dbraw/zinc/26/86/30/606268630.db2.gz RMZRISUROVVARQ-UHFFFAOYSA-N -1 3 396.342 0.204 20 0 GCADHM Cn1c(=O)c2ccc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)nc2n(C)c1=O ZINC000822596761 606268631 /nfs/dbraw/zinc/26/86/31/606268631.db2.gz RMZRISUROVVARQ-UHFFFAOYSA-N -1 3 396.342 0.204 20 0 GCADHM NC(=O)C1CCN(c2ncccc2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000822865289 606269848 /nfs/dbraw/zinc/26/98/48/606269848.db2.gz ZODSTGRULAUQAT-UHFFFAOYSA-N -1 3 395.427 0.222 20 0 GCADHM NC(=O)C1CCN(c2ncccc2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000822865289 606269850 /nfs/dbraw/zinc/26/98/50/606269850.db2.gz ZODSTGRULAUQAT-UHFFFAOYSA-N -1 3 395.427 0.222 20 0 GCADHM COC(=O)c1cc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)ccn1 ZINC000821666844 606277299 /nfs/dbraw/zinc/27/72/99/606277299.db2.gz IRUDDYZPOQYHPM-UHFFFAOYSA-N -1 3 394.395 0.406 20 0 GCADHM COC(=O)c1cc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)ccn1 ZINC000821666844 606277301 /nfs/dbraw/zinc/27/73/01/606277301.db2.gz IRUDDYZPOQYHPM-UHFFFAOYSA-N -1 3 394.395 0.406 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000822637670 606277475 /nfs/dbraw/zinc/27/74/75/606277475.db2.gz ROBNQIQFFHKSAC-UHFFFAOYSA-N -1 3 381.462 0.187 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCC1(NS(C)(=O)=O)CCCCC1 ZINC000822637670 606277476 /nfs/dbraw/zinc/27/74/76/606277476.db2.gz ROBNQIQFFHKSAC-UHFFFAOYSA-N -1 3 381.462 0.187 20 0 GCADHM Cn1cc(Br)cc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1=O ZINC000822665012 606278852 /nfs/dbraw/zinc/27/88/52/606278852.db2.gz FXWDWYLBFPCALY-UHFFFAOYSA-N -1 3 376.174 0.975 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccc(S(N)(=O)=O)c1 ZINC000820384673 606281457 /nfs/dbraw/zinc/28/14/57/606281457.db2.gz KKRDDRBWQCWWAP-SECBINFHSA-N -1 3 375.414 0.344 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccc(S(N)(=O)=O)c1 ZINC000820384673 606281458 /nfs/dbraw/zinc/28/14/58/606281458.db2.gz KKRDDRBWQCWWAP-SECBINFHSA-N -1 3 375.414 0.344 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000822637043 606283773 /nfs/dbraw/zinc/28/37/73/606283773.db2.gz NNDHOTIMPCISAV-UHFFFAOYSA-N -1 3 394.439 0.284 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000822637043 606283775 /nfs/dbraw/zinc/28/37/75/606283775.db2.gz NNDHOTIMPCISAV-UHFFFAOYSA-N -1 3 394.439 0.284 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820562356 606285935 /nfs/dbraw/zinc/28/59/35/606285935.db2.gz FMYCYXXDICQXKT-SNVBAGLBSA-N -1 3 389.441 0.686 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820562356 606285937 /nfs/dbraw/zinc/28/59/37/606285937.db2.gz FMYCYXXDICQXKT-SNVBAGLBSA-N -1 3 389.441 0.686 20 0 GCADHM CSc1[nH]c(=O)c(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000821970146 606286266 /nfs/dbraw/zinc/28/62/66/606286266.db2.gz IZDNRPRRHPJLTL-NXEZZACHSA-N -1 3 393.473 0.216 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1nc2cc(F)ccc2[nH]1 ZINC000823005499 606289092 /nfs/dbraw/zinc/28/90/92/606289092.db2.gz UDCHPWFIBJYVCV-UHFFFAOYSA-N -1 3 394.370 0.928 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000822636219 606289317 /nfs/dbraw/zinc/28/93/17/606289317.db2.gz AAZCMBYLTULTEV-LLVKDONJSA-N -1 3 386.368 0.104 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000822636219 606289318 /nfs/dbraw/zinc/28/93/18/606289318.db2.gz AAZCMBYLTULTEV-LLVKDONJSA-N -1 3 386.368 0.104 20 0 GCADHM CC[C@H]1CN(CCn2cccn2)CCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820995205 606290022 /nfs/dbraw/zinc/29/00/22/606290022.db2.gz OARJKGPASBVLAH-HNNXBMFYSA-N -1 3 383.460 0.638 20 0 GCADHM CC[C@H]1CN(CCn2cccn2)CCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820995205 606290023 /nfs/dbraw/zinc/29/00/23/606290023.db2.gz OARJKGPASBVLAH-HNNXBMFYSA-N -1 3 383.460 0.638 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000822626842 606290694 /nfs/dbraw/zinc/29/06/94/606290694.db2.gz GRHKSOBBQMVFOK-UHFFFAOYSA-N -1 3 379.424 0.865 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000822626842 606290696 /nfs/dbraw/zinc/29/06/96/606290696.db2.gz GRHKSOBBQMVFOK-UHFFFAOYSA-N -1 3 379.424 0.865 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000822641130 606290933 /nfs/dbraw/zinc/29/09/33/606290933.db2.gz DHLKSFUXIFIRGC-UHFFFAOYSA-N -1 3 381.322 0.856 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCNc1nccc(C(F)(F)F)n1 ZINC000822641130 606290934 /nfs/dbraw/zinc/29/09/34/606290934.db2.gz DHLKSFUXIFIRGC-UHFFFAOYSA-N -1 3 381.322 0.856 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000822637623 606291803 /nfs/dbraw/zinc/29/18/03/606291803.db2.gz REWOKHQMJUZVQD-JTQLQIEISA-N -1 3 378.339 0.653 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@H](O)COc1ccc(F)c(F)c1 ZINC000822637623 606291805 /nfs/dbraw/zinc/29/18/05/606291805.db2.gz REWOKHQMJUZVQD-JTQLQIEISA-N -1 3 378.339 0.653 20 0 GCADHM COc1ccc(OC)c(CN(CCO)C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821841606 606292026 /nfs/dbraw/zinc/29/20/26/606292026.db2.gz JZCXQGOQXQELAN-UHFFFAOYSA-N -1 3 386.412 0.857 20 0 GCADHM COc1ccc(OC)c(CN(CCO)C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821841606 606292028 /nfs/dbraw/zinc/29/20/28/606292028.db2.gz JZCXQGOQXQELAN-UHFFFAOYSA-N -1 3 386.412 0.857 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822461798 606294630 /nfs/dbraw/zinc/29/46/30/606294630.db2.gz AHQODIFYNWPMOA-ZDUSSCGKSA-N -1 3 381.400 0.148 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822461798 606294631 /nfs/dbraw/zinc/29/46/31/606294631.db2.gz AHQODIFYNWPMOA-ZDUSSCGKSA-N -1 3 381.400 0.148 20 0 GCADHM CCc1nnc2n1C[C@H](N[C@@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821547829 606304759 /nfs/dbraw/zinc/30/47/59/606304759.db2.gz CTGDNPHVLWBTPK-CZUORRHYSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nnc2n1C[C@H](N[C@@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821547829 606304761 /nfs/dbraw/zinc/30/47/61/606304761.db2.gz CTGDNPHVLWBTPK-CZUORRHYSA-N -1 3 382.428 0.839 20 0 GCADHM O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823514457 606307890 /nfs/dbraw/zinc/30/78/90/606307890.db2.gz ZRABGALCEXAUPU-ZIAGYGMSSA-N -1 3 387.421 0.592 20 0 GCADHM O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823514457 606307892 /nfs/dbraw/zinc/30/78/92/606307892.db2.gz ZRABGALCEXAUPU-ZIAGYGMSSA-N -1 3 387.421 0.592 20 0 GCADHM O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823541644 606308348 /nfs/dbraw/zinc/30/83/48/606308348.db2.gz RREHTPPXACZJPT-UHFFFAOYSA-N -1 3 390.425 0.505 20 0 GCADHM O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823541644 606308349 /nfs/dbraw/zinc/30/83/49/606308349.db2.gz RREHTPPXACZJPT-UHFFFAOYSA-N -1 3 390.425 0.505 20 0 GCADHM CC(C)[C@@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820033848 606308435 /nfs/dbraw/zinc/30/84/35/606308435.db2.gz YSDHCZGOMYOPPJ-MRXNPFEDSA-N -1 3 392.441 0.607 20 0 GCADHM CC(C)[C@@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820033848 606308437 /nfs/dbraw/zinc/30/84/37/606308437.db2.gz YSDHCZGOMYOPPJ-MRXNPFEDSA-N -1 3 392.441 0.607 20 0 GCADHM CCN1CCO[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000821275589 606309334 /nfs/dbraw/zinc/30/93/34/606309334.db2.gz BDQONODEKGSAFK-CYBMUJFWSA-N -1 3 394.819 0.723 20 0 GCADHM CCN1CCO[C@@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000821275589 606309337 /nfs/dbraw/zinc/30/93/37/606309337.db2.gz BDQONODEKGSAFK-CYBMUJFWSA-N -1 3 394.819 0.723 20 0 GCADHM CCC[C@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821028389 606309341 /nfs/dbraw/zinc/30/93/41/606309341.db2.gz UXDVIMPWWCQXNN-INIZCTEOSA-N -1 3 392.441 0.751 20 0 GCADHM CCC[C@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821028389 606309344 /nfs/dbraw/zinc/30/93/44/606309344.db2.gz UXDVIMPWWCQXNN-INIZCTEOSA-N -1 3 392.441 0.751 20 0 GCADHM O=S(=O)(CCn1nnc(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562466 606310328 /nfs/dbraw/zinc/31/03/28/606310328.db2.gz RNSYLAKQIAAHAP-UHFFFAOYSA-N -1 3 382.409 0.994 20 0 GCADHM O=S(=O)(CCn1nnc(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562466 606310330 /nfs/dbraw/zinc/31/03/30/606310330.db2.gz RNSYLAKQIAAHAP-UHFFFAOYSA-N -1 3 382.409 0.994 20 0 GCADHM CN(C)C(=O)N1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821577991 606315041 /nfs/dbraw/zinc/31/50/41/606315041.db2.gz ILPOLQXYAVTTER-LBPRGKRZSA-N -1 3 390.473 0.333 20 0 GCADHM CN(C)C(=O)N1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821577991 606315043 /nfs/dbraw/zinc/31/50/43/606315043.db2.gz ILPOLQXYAVTTER-LBPRGKRZSA-N -1 3 390.473 0.333 20 0 GCADHM COC(=O)C1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821655370 606315274 /nfs/dbraw/zinc/31/52/74/606315274.db2.gz JYMBLYANDISPJT-GFCCVEGCSA-N -1 3 376.442 0.919 20 0 GCADHM COC(=O)C1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821655370 606315275 /nfs/dbraw/zinc/31/52/75/606315275.db2.gz JYMBLYANDISPJT-GFCCVEGCSA-N -1 3 376.442 0.919 20 0 GCADHM COCC(=O)NC1CCN([C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821680152 606316408 /nfs/dbraw/zinc/31/64/08/606316408.db2.gz AMYWNKGFXDMSHD-MRXNPFEDSA-N -1 3 388.428 0.308 20 0 GCADHM COCC(=O)NC1CCN([C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821680152 606316409 /nfs/dbraw/zinc/31/64/09/606316409.db2.gz AMYWNKGFXDMSHD-MRXNPFEDSA-N -1 3 388.428 0.308 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)CC(=O)NCc1ccco1 ZINC000821650591 606318710 /nfs/dbraw/zinc/31/87/10/606318710.db2.gz VBTDIYIIEHXWNB-MRXNPFEDSA-N -1 3 384.396 0.922 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)CC(=O)NCc1ccco1 ZINC000821650591 606318712 /nfs/dbraw/zinc/31/87/12/606318712.db2.gz VBTDIYIIEHXWNB-MRXNPFEDSA-N -1 3 384.396 0.922 20 0 GCADHM C[C@H](O)CN1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C[C@H]1C ZINC000820481564 606320326 /nfs/dbraw/zinc/32/03/26/606320326.db2.gz XOFMXICICXOOJZ-DYEKYZERSA-N -1 3 391.501 0.420 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCc2nnc(OC)cc2C1 ZINC000821652083 606321055 /nfs/dbraw/zinc/32/10/55/606321055.db2.gz LZISJAALGDZABB-INIZCTEOSA-N -1 3 381.396 0.938 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCc2nnc(OC)cc2C1 ZINC000821652083 606321057 /nfs/dbraw/zinc/32/10/57/606321057.db2.gz LZISJAALGDZABB-INIZCTEOSA-N -1 3 381.396 0.938 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000821652204 606321149 /nfs/dbraw/zinc/32/11/49/606321149.db2.gz NSKYRGSDLTXOGD-SJORKVTESA-N -1 3 397.439 0.987 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000821652204 606321151 /nfs/dbraw/zinc/32/11/51/606321151.db2.gz NSKYRGSDLTXOGD-SJORKVTESA-N -1 3 397.439 0.987 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000821652423 606321167 /nfs/dbraw/zinc/32/11/67/606321167.db2.gz RXAJETZOPRTUOD-CABCVRRESA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000821652423 606321169 /nfs/dbraw/zinc/32/11/69/606321169.db2.gz RXAJETZOPRTUOD-CABCVRRESA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(Cc2nccn2C)CC1 ZINC000821652759 606321465 /nfs/dbraw/zinc/32/14/65/606321465.db2.gz ZDUKPCHMTYYWKY-KRWDZBQOSA-N -1 3 396.455 0.632 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(Cc2nccn2C)CC1 ZINC000821652759 606321466 /nfs/dbraw/zinc/32/14/66/606321466.db2.gz ZDUKPCHMTYYWKY-KRWDZBQOSA-N -1 3 396.455 0.632 20 0 GCADHM CNC(=O)[C@@H]1CCCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000821631719 606322437 /nfs/dbraw/zinc/32/24/37/606322437.db2.gz QSJDUUIGVJZJFA-PWSUYJOCSA-N -1 3 375.458 0.492 20 0 GCADHM CNC(=O)[C@@H]1CCCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000821631719 606322439 /nfs/dbraw/zinc/32/24/39/606322439.db2.gz QSJDUUIGVJZJFA-PWSUYJOCSA-N -1 3 375.458 0.492 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821636142 606322644 /nfs/dbraw/zinc/32/26/44/606322644.db2.gz HCQPVXYQQKIMTB-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821636142 606322646 /nfs/dbraw/zinc/32/26/46/606322646.db2.gz HCQPVXYQQKIMTB-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000821651798 606323077 /nfs/dbraw/zinc/32/30/77/606323077.db2.gz GLHIXPBFPMOJBC-SMDDNHRTSA-N -1 3 394.457 0.081 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000821651798 606323079 /nfs/dbraw/zinc/32/30/79/606323079.db2.gz GLHIXPBFPMOJBC-SMDDNHRTSA-N -1 3 394.457 0.081 20 0 GCADHM O=C1[C@H](N2CCC[C@H](OCCO)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503344 606323990 /nfs/dbraw/zinc/32/39/90/606323990.db2.gz DBFRLIQTGHBNRZ-WCQYABFASA-N -1 3 378.458 0.507 20 0 GCADHM O=C1[C@H](N2CCC[C@H](OCCO)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503344 606323992 /nfs/dbraw/zinc/32/39/92/606323992.db2.gz DBFRLIQTGHBNRZ-WCQYABFASA-N -1 3 378.458 0.507 20 0 GCADHM CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1=O 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COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC1(CO)CCCCC1 ZINC000821756442 606459894 /nfs/dbraw/zinc/45/98/94/606459894.db2.gz OXUFDIZZMATVEM-UHFFFAOYSA-N -1 3 388.428 0.873 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1(CO)CCCCC1 ZINC000821756442 606459895 /nfs/dbraw/zinc/45/98/95/606459895.db2.gz OXUFDIZZMATVEM-UHFFFAOYSA-N -1 3 388.428 0.873 20 0 GCADHM CN(C)C(=O)CN1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000821575748 606480295 /nfs/dbraw/zinc/48/02/95/606480295.db2.gz OEOXBKUJRMBAMR-UHFFFAOYSA-N -1 3 395.414 0.674 20 0 GCADHM CN(C)C(=O)CN1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000821575748 606480296 /nfs/dbraw/zinc/48/02/96/606480296.db2.gz OEOXBKUJRMBAMR-UHFFFAOYSA-N -1 3 395.414 0.674 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)cs1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000823467082 606481093 /nfs/dbraw/zinc/48/10/93/606481093.db2.gz QZGSKYBNVPKSNI-NWDGAFQWSA-N -1 3 397.482 0.737 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)cs1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000823467082 606481095 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383.430 0.422 20 0 GCADHM COC(=O)CC1(NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000821659301 606484472 /nfs/dbraw/zinc/48/44/72/606484472.db2.gz YQIJINMNBSXXDQ-UHFFFAOYSA-N -1 3 381.414 0.257 20 0 GCADHM COC(=O)CC1(NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000821659301 606484474 /nfs/dbraw/zinc/48/44/74/606484474.db2.gz YQIJINMNBSXXDQ-UHFFFAOYSA-N -1 3 381.414 0.257 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823201590 606491386 /nfs/dbraw/zinc/49/13/86/606491386.db2.gz KGZAKRJQAVDVBG-UHFFFAOYSA-N -1 3 378.439 0.637 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823201590 606491387 /nfs/dbraw/zinc/49/13/87/606491387.db2.gz KGZAKRJQAVDVBG-UHFFFAOYSA-N -1 3 378.439 0.637 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822859441 606492159 /nfs/dbraw/zinc/49/21/59/606492159.db2.gz HBSFELXEPVSTLQ-ZYHUDNBSSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822859441 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/nfs/dbraw/zinc/58/45/28/606584528.db2.gz WLOFYKAJRNNGHX-SMDDNHRTSA-N -1 3 394.457 0.032 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000820769772 606584530 /nfs/dbraw/zinc/58/45/30/606584530.db2.gz WLOFYKAJRNNGHX-SMDDNHRTSA-N -1 3 394.457 0.032 20 0 GCADHM COC[C@](C)(CC(=O)OC)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821680197 606585452 /nfs/dbraw/zinc/58/54/52/606585452.db2.gz BPHGINOQQUHAGX-GTNSWQLSSA-N -1 3 377.401 0.718 20 0 GCADHM COC[C@](C)(CC(=O)OC)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821680197 606585453 /nfs/dbraw/zinc/58/54/53/606585453.db2.gz BPHGINOQQUHAGX-GTNSWQLSSA-N -1 3 377.401 0.718 20 0 GCADHM COC[C@@](C)(CC(=O)OC)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821680319 606585714 /nfs/dbraw/zinc/58/57/14/606585714.db2.gz GCGXFLHEMWKUOG-PIGZYNQJSA-N -1 3 377.401 0.718 20 0 GCADHM COC(=O)CC1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000821658897 606590220 /nfs/dbraw/zinc/59/02/20/606590220.db2.gz MAPJEWIASWCSFB-UHFFFAOYSA-N -1 3 375.385 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ZINC000822879800 606591301 /nfs/dbraw/zinc/59/13/01/606591301.db2.gz FRPHLEVMPXTKSJ-CQSZACIVSA-N -1 3 393.407 0.803 20 0 GCADHM NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822879800 606591303 /nfs/dbraw/zinc/59/13/03/606591303.db2.gz FRPHLEVMPXTKSJ-CQSZACIVSA-N -1 3 393.407 0.803 20 0 GCADHM Cn1cccc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1=O ZINC000822688851 606593387 /nfs/dbraw/zinc/59/33/87/606593387.db2.gz AZNZMDITTCLWCV-UHFFFAOYSA-N -1 3 379.424 0.964 20 0 GCADHM Cn1cccc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1=O ZINC000822688851 606593388 /nfs/dbraw/zinc/59/33/88/606593388.db2.gz AZNZMDITTCLWCV-UHFFFAOYSA-N -1 3 379.424 0.964 20 0 GCADHM CCN1C[C@@H](C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1=O ZINC000821240216 606594564 /nfs/dbraw/zinc/59/45/64/606594564.db2.gz FROBRPNAKGRWCI-ZDUSSCGKSA-N -1 3 383.456 0.820 20 0 GCADHM CCN1C[C@@H](C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1=O ZINC000821240216 606594565 /nfs/dbraw/zinc/59/45/65/606594565.db2.gz FROBRPNAKGRWCI-ZDUSSCGKSA-N -1 3 383.456 0.820 20 0 GCADHM COCCN(Cc1cncn1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821690582 606594642 /nfs/dbraw/zinc/59/46/42/606594642.db2.gz QXRFPWMMTDEHGV-UHFFFAOYSA-N -1 3 377.430 0.438 20 0 GCADHM COCCN(Cc1cncn1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821690582 606594643 /nfs/dbraw/zinc/59/46/43/606594643.db2.gz QXRFPWMMTDEHGV-UHFFFAOYSA-N -1 3 377.430 0.438 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821636529 606600114 /nfs/dbraw/zinc/60/01/14/606600114.db2.gz TXYKTKCHYKDLRT-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821636529 606600115 /nfs/dbraw/zinc/60/01/15/606600115.db2.gz TXYKTKCHYKDLRT-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000267795873 606601698 /nfs/dbraw/zinc/60/16/98/606601698.db2.gz NPZPGVHQKJCLNS-UHFFFAOYSA-N -1 3 390.425 0.948 20 0 GCADHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000267795873 606601699 /nfs/dbraw/zinc/60/16/99/606601699.db2.gz NPZPGVHQKJCLNS-UHFFFAOYSA-N -1 3 390.425 0.948 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821636632 606601842 /nfs/dbraw/zinc/60/18/42/606601842.db2.gz XEOYCGXSGDGKRF-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821636632 606601843 /nfs/dbraw/zinc/60/18/43/606601843.db2.gz XEOYCGXSGDGKRF-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821636346 606602025 /nfs/dbraw/zinc/60/20/25/606602025.db2.gz OGCKBOWHJQHCRH-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821636346 606602027 /nfs/dbraw/zinc/60/20/27/606602027.db2.gz OGCKBOWHJQHCRH-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@@H](C1CC1)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820220467 606604714 /nfs/dbraw/zinc/60/47/14/606604714.db2.gz VOGDAYYOIKPDQI-NSHDSACASA-N -1 3 395.427 0.702 20 0 GCADHM C[C@@H](C1CC1)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820220467 606604715 /nfs/dbraw/zinc/60/47/15/606604715.db2.gz VOGDAYYOIKPDQI-NSHDSACASA-N -1 3 395.427 0.702 20 0 GCADHM CC[C@H](C)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820876738 606604761 /nfs/dbraw/zinc/60/47/61/606604761.db2.gz TWLVNDJOMODFLE-NSHDSACASA-N -1 3 383.416 0.702 20 0 GCADHM CC[C@H](C)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820876738 606604763 /nfs/dbraw/zinc/60/47/63/606604763.db2.gz TWLVNDJOMODFLE-NSHDSACASA-N -1 3 383.416 0.702 20 0 GCADHM CCC[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821014728 606604991 /nfs/dbraw/zinc/60/49/91/606604991.db2.gz KILDGGUSXLVBRA-NSHDSACASA-N -1 3 383.416 0.750 20 0 GCADHM CCC[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821014728 606604993 /nfs/dbraw/zinc/60/49/93/606604993.db2.gz KILDGGUSXLVBRA-NSHDSACASA-N -1 3 383.416 0.750 20 0 GCADHM CN(C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CCC1 ZINC000821569538 606605329 /nfs/dbraw/zinc/60/53/29/606605329.db2.gz NKRBOIBUUZTFJL-UHFFFAOYSA-N -1 3 381.400 0.456 20 0 GCADHM CN(C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CCC1 ZINC000821569538 606605331 /nfs/dbraw/zinc/60/53/31/606605331.db2.gz NKRBOIBUUZTFJL-UHFFFAOYSA-N -1 3 381.400 0.456 20 0 GCADHM CN(CC(C)(C)C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821593847 606605845 /nfs/dbraw/zinc/60/58/45/606605845.db2.gz MSJSNKLOPBUALZ-UHFFFAOYSA-N -1 3 397.443 0.950 20 0 GCADHM CN(CC(C)(C)C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821593847 606605847 /nfs/dbraw/zinc/60/58/47/606605847.db2.gz MSJSNKLOPBUALZ-UHFFFAOYSA-N -1 3 397.443 0.950 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N1CCC[C@@H](CO)C1 ZINC000823294642 606606457 /nfs/dbraw/zinc/60/64/57/606606457.db2.gz LRMLVUPBGOUATE-SECBINFHSA-N -1 3 396.354 0.638 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N1CCC[C@@H](CO)C1 ZINC000823294642 606606458 /nfs/dbraw/zinc/60/64/58/606606458.db2.gz LRMLVUPBGOUATE-SECBINFHSA-N -1 3 396.354 0.638 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)c1-c1nnn[n-]1 ZINC000822309382 606606617 /nfs/dbraw/zinc/60/66/17/606606617.db2.gz WMZAVMCIVJINTN-UHFFFAOYSA-N -1 3 398.427 0.130 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)c1-c1nn[n-]n1 ZINC000822309382 606606620 /nfs/dbraw/zinc/60/66/20/606606620.db2.gz WMZAVMCIVJINTN-UHFFFAOYSA-N -1 3 398.427 0.130 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)Cn1cncn1 ZINC000821401604 606606722 /nfs/dbraw/zinc/60/67/22/606606722.db2.gz XXAVPRSXGZGSFX-JTQLQIEISA-N -1 3 385.388 0.000 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000821757524 606606773 /nfs/dbraw/zinc/60/67/73/606606773.db2.gz YLFISXIQBDDTFZ-HOCLYGCPSA-N -1 3 394.391 0.588 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000821757524 606606774 /nfs/dbraw/zinc/60/67/74/606606774.db2.gz YLFISXIQBDDTFZ-HOCLYGCPSA-N -1 3 394.391 0.588 20 0 GCADHM O=C(Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)C(=O)NC(CO)CO ZINC000823350171 606607530 /nfs/dbraw/zinc/60/75/30/606607530.db2.gz BSCUJVHGDHZHKM-UHFFFAOYSA-N -1 3 398.379 0.067 20 0 GCADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)C(=O)NC(CO)CO ZINC000823350171 606607532 /nfs/dbraw/zinc/60/75/32/606607532.db2.gz BSCUJVHGDHZHKM-UHFFFAOYSA-N -1 3 398.379 0.067 20 0 GCADHM C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820635267 606607695 /nfs/dbraw/zinc/60/76/95/606607695.db2.gz LLPRUIRKDMBLNE-QGZVFWFLSA-N -1 3 381.352 0.865 20 0 GCADHM C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820635267 606607696 /nfs/dbraw/zinc/60/76/96/606607696.db2.gz LLPRUIRKDMBLNE-QGZVFWFLSA-N -1 3 381.352 0.865 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000819788113 606607903 /nfs/dbraw/zinc/60/79/03/606607903.db2.gz BHUJUVBHQKHNAG-UHFFFAOYSA-N -1 3 385.428 0.583 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000819788113 606607905 /nfs/dbraw/zinc/60/79/05/606607905.db2.gz BHUJUVBHQKHNAG-UHFFFAOYSA-N -1 3 385.428 0.583 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000819783467 606607939 /nfs/dbraw/zinc/60/79/39/606607939.db2.gz XXKPVLOMPFNFEK-UHFFFAOYSA-N -1 3 385.428 0.583 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000819783467 606607941 /nfs/dbraw/zinc/60/79/41/606607941.db2.gz XXKPVLOMPFNFEK-UHFFFAOYSA-N -1 3 385.428 0.583 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C ZINC000820314026 606607983 /nfs/dbraw/zinc/60/79/83/606607983.db2.gz GVLAXRLUZGSFFY-MRVPVSSYSA-N -1 3 393.835 0.878 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C ZINC000820314026 606607985 /nfs/dbraw/zinc/60/79/85/606607985.db2.gz GVLAXRLUZGSFFY-MRVPVSSYSA-N -1 3 393.835 0.878 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000822216531 606608509 /nfs/dbraw/zinc/60/85/09/606608509.db2.gz RIFVLCBTNBFUAK-CVEARBPZSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000822216531 606608510 /nfs/dbraw/zinc/60/85/10/606608510.db2.gz RIFVLCBTNBFUAK-CVEARBPZSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000822216476 606610247 /nfs/dbraw/zinc/61/02/47/606610247.db2.gz PUPLXOFDWQQRPM-STQMWFEESA-N -1 3 387.444 0.027 20 0 GCADHM O=C(NC[C@H](O)C1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823166915 606610610 /nfs/dbraw/zinc/61/06/10/606610610.db2.gz SPYZAMVUTPUJLC-NSHDSACASA-N -1 3 384.318 0.711 20 0 GCADHM O=C(NC[C@H](O)C1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823166915 606610611 /nfs/dbraw/zinc/61/06/11/606610611.db2.gz SPYZAMVUTPUJLC-NSHDSACASA-N -1 3 384.318 0.711 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@H](CCO)C1CC1 ZINC000823294944 606612008 /nfs/dbraw/zinc/61/20/08/606612008.db2.gz YKXAYGNURHJLFF-SNVBAGLBSA-N -1 3 396.354 0.684 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@H](CCO)C1CC1 ZINC000823294944 606612010 /nfs/dbraw/zinc/61/20/10/606612010.db2.gz YKXAYGNURHJLFF-SNVBAGLBSA-N -1 3 396.354 0.684 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000822216087 606613559 /nfs/dbraw/zinc/61/35/59/606613559.db2.gz DZAPLBWIWBQDLN-AWEZNQCLSA-N -1 3 384.318 0.639 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000822216087 606613560 /nfs/dbraw/zinc/61/35/60/606613560.db2.gz DZAPLBWIWBQDLN-AWEZNQCLSA-N -1 3 384.318 0.639 20 0 GCADHM CC1(CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCOCC1 ZINC000820612468 606613654 /nfs/dbraw/zinc/61/36/54/606613654.db2.gz FIJOGUJPBSXZLJ-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM CC1(CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCOCC1 ZINC000820612468 606613655 /nfs/dbraw/zinc/61/36/55/606613655.db2.gz FIJOGUJPBSXZLJ-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM CO[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1(C)C ZINC000821677644 606614406 /nfs/dbraw/zinc/61/44/06/606614406.db2.gz BCYILOUVBCZCAL-KGLIPLIRSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1(C)C ZINC000821677644 606614407 /nfs/dbraw/zinc/61/44/07/606614407.db2.gz BCYILOUVBCZCAL-KGLIPLIRSA-N -1 3 386.460 0.907 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000822874422 606614897 /nfs/dbraw/zinc/61/48/97/606614897.db2.gz ZZQFJSGNWKGNJS-UHFFFAOYSA-N -1 3 399.367 0.354 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000822874422 606614898 /nfs/dbraw/zinc/61/48/98/606614898.db2.gz ZZQFJSGNWKGNJS-UHFFFAOYSA-N -1 3 399.367 0.354 20 0 GCADHM O=C(NC[C@H](CO)c1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823162435 606615004 /nfs/dbraw/zinc/61/50/04/606615004.db2.gz WEPHNZBYWCZGQN-GFCCVEGCSA-N -1 3 384.371 0.837 20 0 GCADHM O=C(NC[C@H](CO)c1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823162435 606615006 /nfs/dbraw/zinc/61/50/06/606615006.db2.gz WEPHNZBYWCZGQN-GFCCVEGCSA-N -1 3 384.371 0.837 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000821755270 606615384 /nfs/dbraw/zinc/61/53/84/606615384.db2.gz CYUXQWMPJPLUCJ-WFASDCNBSA-N -1 3 388.428 0.991 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CCO[C@H]1C(C)C ZINC000821755270 606615386 /nfs/dbraw/zinc/61/53/86/606615386.db2.gz CYUXQWMPJPLUCJ-WFASDCNBSA-N -1 3 388.428 0.991 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000823308833 606615681 /nfs/dbraw/zinc/61/56/81/606615681.db2.gz KNJIQPOZVNUXSP-UHFFFAOYSA-N -1 3 393.411 0.698 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000823308833 606615682 /nfs/dbraw/zinc/61/56/82/606615682.db2.gz KNJIQPOZVNUXSP-UHFFFAOYSA-N -1 3 393.411 0.698 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN(C)[C@@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000822486479 606617712 /nfs/dbraw/zinc/61/77/12/606617712.db2.gz LCIGBFXKVMGJRY-CQSZACIVSA-N -1 3 387.469 0.980 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000440544484 606618459 /nfs/dbraw/zinc/61/84/59/606618459.db2.gz HGWAASGNVKFKDW-UHFFFAOYSA-N -1 3 376.398 0.439 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000440544484 606618461 /nfs/dbraw/zinc/61/84/61/606618461.db2.gz HGWAASGNVKFKDW-UHFFFAOYSA-N -1 3 376.398 0.439 20 0 GCADHM C[C@H](N1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)F ZINC000820306698 606621095 /nfs/dbraw/zinc/62/10/95/606621095.db2.gz CKJHKBVAAITYBG-GWCFXTLKSA-N -1 3 383.378 0.962 20 0 GCADHM C[C@H](N1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)F ZINC000820306698 606621096 /nfs/dbraw/zinc/62/10/96/606621096.db2.gz CKJHKBVAAITYBG-GWCFXTLKSA-N -1 3 383.378 0.962 20 0 GCADHM C[C@@H](N1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)F ZINC000820306701 606621110 /nfs/dbraw/zinc/62/11/10/606621110.db2.gz CKJHKBVAAITYBG-ZWNOBZJWSA-N -1 3 383.378 0.962 20 0 GCADHM C[C@@H](N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)F ZINC000820306701 606621111 /nfs/dbraw/zinc/62/11/11/606621111.db2.gz CKJHKBVAAITYBG-ZWNOBZJWSA-N -1 3 383.378 0.962 20 0 GCADHM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C[C@@H]1CCOC1 ZINC000821593870 606621616 /nfs/dbraw/zinc/62/16/16/606621616.db2.gz NQKAGVMTXGEMAT-ZDUSSCGKSA-N -1 3 382.428 0.959 20 0 GCADHM Cc1oc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1S(=O)(=O)N(C)C ZINC000822542240 606622741 /nfs/dbraw/zinc/62/27/41/606622741.db2.gz WEZGZGUNHVULOI-UHFFFAOYSA-N -1 3 377.386 0.666 20 0 GCADHM Cc1oc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1S(=O)(=O)N(C)C ZINC000822542240 606622742 /nfs/dbraw/zinc/62/27/42/606622742.db2.gz WEZGZGUNHVULOI-UHFFFAOYSA-N -1 3 377.386 0.666 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823043601 606624002 /nfs/dbraw/zinc/62/40/02/606624002.db2.gz BVNCSFZFZCLRAZ-LSDHHAIUSA-N -1 3 391.453 0.814 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823043601 606624003 /nfs/dbraw/zinc/62/40/03/606624003.db2.gz BVNCSFZFZCLRAZ-LSDHHAIUSA-N -1 3 391.453 0.814 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820287165 606625218 /nfs/dbraw/zinc/62/52/18/606625218.db2.gz JPKQBPWKPSLKGG-FZMZJTMJSA-N -1 3 398.427 0.558 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000820287165 606625220 /nfs/dbraw/zinc/62/52/20/606625220.db2.gz JPKQBPWKPSLKGG-FZMZJTMJSA-N -1 3 398.427 0.558 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820287816 606625500 /nfs/dbraw/zinc/62/55/00/606625500.db2.gz QKHDVBJUAIAHLD-GXSJLCMTSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820287816 606625502 /nfs/dbraw/zinc/62/55/02/606625502.db2.gz QKHDVBJUAIAHLD-GXSJLCMTSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820287167 606625688 /nfs/dbraw/zinc/62/56/88/606625688.db2.gz JPKQBPWKPSLKGG-SMDDNHRTSA-N -1 3 398.427 0.558 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000820287167 606625689 /nfs/dbraw/zinc/62/56/89/606625689.db2.gz JPKQBPWKPSLKGG-SMDDNHRTSA-N -1 3 398.427 0.558 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000821700070 606626018 /nfs/dbraw/zinc/62/60/18/606626018.db2.gz BYUZBFCSCLAAGB-DGCLKSJQSA-N -1 3 377.401 0.564 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000821700070 606626020 /nfs/dbraw/zinc/62/60/20/606626020.db2.gz BYUZBFCSCLAAGB-DGCLKSJQSA-N -1 3 377.401 0.564 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823154451 606626599 /nfs/dbraw/zinc/62/65/99/606626599.db2.gz BOSSEVWTXISLBJ-UHFFFAOYSA-N -1 3 376.442 0.553 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823154451 606626601 /nfs/dbraw/zinc/62/66/01/606626601.db2.gz BOSSEVWTXISLBJ-UHFFFAOYSA-N -1 3 376.442 0.553 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)Nc1sccc1-c1nnn[n-]1 ZINC000823000655 606632049 /nfs/dbraw/zinc/63/20/49/606632049.db2.gz CCNTWBBNWWCZNL-RYUDHWBXSA-N -1 3 396.498 0.908 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)Nc1sccc1-c1nn[n-]n1 ZINC000823000655 606632050 /nfs/dbraw/zinc/63/20/50/606632050.db2.gz CCNTWBBNWWCZNL-RYUDHWBXSA-N -1 3 396.498 0.908 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820286281 606635890 /nfs/dbraw/zinc/63/58/90/606635890.db2.gz ADEYPRKNDCGNEI-KOLCDFICSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820286281 606635891 /nfs/dbraw/zinc/63/58/91/606635891.db2.gz ADEYPRKNDCGNEI-KOLCDFICSA-N -1 3 378.364 0.255 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822874231 606636440 /nfs/dbraw/zinc/63/64/40/606636440.db2.gz VQAGIELWHYQOAM-UHFFFAOYSA-N -1 3 375.389 0.117 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822874231 606636441 /nfs/dbraw/zinc/63/64/41/606636441.db2.gz VQAGIELWHYQOAM-UHFFFAOYSA-N -1 3 375.389 0.117 20 0 GCADHM CCOC(=O)CNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821330336 606639387 /nfs/dbraw/zinc/63/93/87/606639387.db2.gz HSCUDVBHHWRJSC-UHFFFAOYSA-N -1 3 390.219 0.471 20 0 GCADHM CCOC(=O)CNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821330336 606639388 /nfs/dbraw/zinc/63/93/88/606639388.db2.gz HSCUDVBHHWRJSC-UHFFFAOYSA-N -1 3 390.219 0.471 20 0 GCADHM CN1CC[C@H](NS(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)C1 ZINC000821622021 606639660 /nfs/dbraw/zinc/63/96/60/606639660.db2.gz PDYBFPRHAQPDFA-JTQLQIEISA-N -1 3 387.263 0.612 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)C2)no1 ZINC000822439880 606641074 /nfs/dbraw/zinc/64/10/74/606641074.db2.gz DZTFWHMQWNFBMQ-CYBMUJFWSA-N -1 3 398.427 0.670 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)C2)no1 ZINC000822439880 606641075 /nfs/dbraw/zinc/64/10/75/606641075.db2.gz DZTFWHMQWNFBMQ-CYBMUJFWSA-N -1 3 398.427 0.670 20 0 GCADHM Cc1nn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(N)c1-c1nnn[n-]1 ZINC000822500731 606655096 /nfs/dbraw/zinc/65/50/96/606655096.db2.gz DNMXXVATBAKPBV-UHFFFAOYSA-N -1 3 381.400 0.485 20 0 GCADHM Cc1nn(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)c(N)c1-c1nn[n-]n1 ZINC000822500731 606655097 /nfs/dbraw/zinc/65/50/97/606655097.db2.gz DNMXXVATBAKPBV-UHFFFAOYSA-N -1 3 381.400 0.485 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821320443 606658293 /nfs/dbraw/zinc/65/82/93/606658293.db2.gz NDMGQNOMWCYNKU-UHFFFAOYSA-N -1 3 378.364 0.928 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821320443 606658294 /nfs/dbraw/zinc/65/82/94/606658294.db2.gz NDMGQNOMWCYNKU-UHFFFAOYSA-N -1 3 378.364 0.928 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821688425 606659222 /nfs/dbraw/zinc/65/92/22/606659222.db2.gz KNXCBDRFWVWBTD-UHFFFAOYSA-N -1 3 398.427 0.697 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821688425 606659223 /nfs/dbraw/zinc/65/92/23/606659223.db2.gz KNXCBDRFWVWBTD-UHFFFAOYSA-N -1 3 398.427 0.697 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccn(CC(F)F)n1 ZINC000823250050 606659265 /nfs/dbraw/zinc/65/92/65/606659265.db2.gz QTKGOYVFQXOPMW-UHFFFAOYSA-N -1 3 394.317 0.722 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccn(CC(F)F)n1 ZINC000823250050 606659266 /nfs/dbraw/zinc/65/92/66/606659266.db2.gz QTKGOYVFQXOPMW-UHFFFAOYSA-N -1 3 394.317 0.722 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821695149 606659268 /nfs/dbraw/zinc/65/92/68/606659268.db2.gz LIZOVZBKPXQBCQ-UHFFFAOYSA-N -1 3 384.400 0.307 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821695149 606659269 /nfs/dbraw/zinc/65/92/69/606659269.db2.gz LIZOVZBKPXQBCQ-UHFFFAOYSA-N -1 3 384.400 0.307 20 0 GCADHM CNC(=O)CN1CCC(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821633116 606669580 /nfs/dbraw/zinc/66/95/80/606669580.db2.gz ZCZSHHBBFYWEIQ-UHFFFAOYSA-N -1 3 379.371 0.085 20 0 GCADHM CNC(=O)CN1CCC(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821633116 606669581 /nfs/dbraw/zinc/66/95/81/606669581.db2.gz ZCZSHHBBFYWEIQ-UHFFFAOYSA-N -1 3 379.371 0.085 20 0 GCADHM O=C(Cn1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cn1)NC1CC1 ZINC000823118811 606672249 /nfs/dbraw/zinc/67/22/49/606672249.db2.gz ROEYJIAAPJVWOE-UHFFFAOYSA-N -1 3 388.338 0.872 20 0 GCADHM O=C(Cn1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1)NC1CC1 ZINC000823118811 606672250 /nfs/dbraw/zinc/67/22/50/606672250.db2.gz ROEYJIAAPJVWOE-UHFFFAOYSA-N -1 3 388.338 0.872 20 0 GCADHM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000820292753 606678181 /nfs/dbraw/zinc/67/81/81/606678181.db2.gz GKBLZKURMULEDJ-SNVBAGLBSA-N -1 3 390.400 0.871 20 0 GCADHM C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000820292753 606678182 /nfs/dbraw/zinc/67/81/82/606678182.db2.gz GKBLZKURMULEDJ-SNVBAGLBSA-N -1 3 390.400 0.871 20 0 GCADHM COC(=O)CN(C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CCOCC1 ZINC000821661479 606683476 /nfs/dbraw/zinc/68/34/76/606683476.db2.gz LAPFBPDEMJIMAB-UHFFFAOYSA-N -1 3 381.339 0.939 20 0 GCADHM COC(=O)CN(C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCOCC1 ZINC000821661479 606683477 /nfs/dbraw/zinc/68/34/77/606683477.db2.gz LAPFBPDEMJIMAB-UHFFFAOYSA-N -1 3 381.339 0.939 20 0 GCADHM C[C@@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@@H]1N1CCOCC1 ZINC000820741682 606687061 /nfs/dbraw/zinc/68/70/61/606687061.db2.gz FDTKQNBZRKYEJF-YGRLFVJLSA-N -1 3 378.383 0.938 20 0 GCADHM C[C@@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@@H]1N1CCOCC1 ZINC000820741682 606687062 /nfs/dbraw/zinc/68/70/62/606687062.db2.gz FDTKQNBZRKYEJF-YGRLFVJLSA-N -1 3 378.383 0.938 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C[C@@H]1C ZINC000821655290 606690417 /nfs/dbraw/zinc/69/04/17/606690417.db2.gz ITUVZYSAWGZLHZ-CMPLNLGQSA-N -1 3 375.385 0.522 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C[C@@H]1C ZINC000821655290 606690418 /nfs/dbraw/zinc/69/04/18/606690418.db2.gz ITUVZYSAWGZLHZ-CMPLNLGQSA-N -1 3 375.385 0.522 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819858008 606691715 /nfs/dbraw/zinc/69/17/15/606691715.db2.gz XTRQCCVTTKKHJV-CQSZACIVSA-N -1 3 383.456 0.635 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819858008 606691716 /nfs/dbraw/zinc/69/17/16/606691716.db2.gz XTRQCCVTTKKHJV-CQSZACIVSA-N -1 3 383.456 0.635 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819858006 606691742 /nfs/dbraw/zinc/69/17/42/606691742.db2.gz XTRQCCVTTKKHJV-AWEZNQCLSA-N -1 3 383.456 0.635 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819858006 606691743 /nfs/dbraw/zinc/69/17/43/606691743.db2.gz XTRQCCVTTKKHJV-AWEZNQCLSA-N -1 3 383.456 0.635 20 0 GCADHM COC(=O)[C@]1(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCOC1 ZINC000821653902 606692589 /nfs/dbraw/zinc/69/25/89/606692589.db2.gz OERWDDDAZAFCFE-SFHVURJKSA-N -1 3 389.412 0.864 20 0 GCADHM COC(=O)[C@]1(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCOC1 ZINC000821653902 606692590 /nfs/dbraw/zinc/69/25/90/606692590.db2.gz OERWDDDAZAFCFE-SFHVURJKSA-N -1 3 389.412 0.864 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H](CO)c1ccccc1 ZINC000823005179 606698712 /nfs/dbraw/zinc/69/87/12/606698712.db2.gz FXMSHYHNAVLOSH-INIZCTEOSA-N -1 3 380.408 0.489 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H](CO)c1ccccc1 ZINC000823005179 606698714 /nfs/dbraw/zinc/69/87/14/606698714.db2.gz FXMSHYHNAVLOSH-INIZCTEOSA-N -1 3 380.408 0.489 20 0 GCADHM CCOC(=O)COCCN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000821330463 606703953 /nfs/dbraw/zinc/70/39/53/606703953.db2.gz LHJUFEUNDFUZRD-KRWDZBQOSA-N -1 3 388.384 0.213 20 0 GCADHM CCOC(=O)COCCN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000821330463 606703955 /nfs/dbraw/zinc/70/39/55/606703955.db2.gz LHJUFEUNDFUZRD-KRWDZBQOSA-N -1 3 388.384 0.213 20 0 GCADHM COC(=O)[C@@H]1CN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C[C@H]1C ZINC000821655662 606715861 /nfs/dbraw/zinc/71/58/61/606715861.db2.gz PCADACJPBFKGHT-JLLWLGSASA-N -1 3 376.442 0.774 20 0 GCADHM COC(=O)[C@@H]1CN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C[C@H]1C ZINC000821655662 606715862 /nfs/dbraw/zinc/71/58/62/606715862.db2.gz PCADACJPBFKGHT-JLLWLGSASA-N -1 3 376.442 0.774 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821696596 606717446 /nfs/dbraw/zinc/71/74/46/606717446.db2.gz JAOVKLNSMGOTMW-HIFRSBDPSA-N -1 3 398.427 0.943 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821696596 606717448 /nfs/dbraw/zinc/71/74/48/606717448.db2.gz JAOVKLNSMGOTMW-HIFRSBDPSA-N -1 3 398.427 0.943 20 0 GCADHM COc1ccc(C[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1O ZINC000821790030 606718396 /nfs/dbraw/zinc/71/83/96/606718396.db2.gz FJXJQVCBKUGKGS-GFCCVEGCSA-N -1 3 386.412 0.500 20 0 GCADHM COc1ccc(C[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1O ZINC000821790030 606718397 /nfs/dbraw/zinc/71/83/97/606718397.db2.gz FJXJQVCBKUGKGS-GFCCVEGCSA-N -1 3 386.412 0.500 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC000819858017 606719399 /nfs/dbraw/zinc/71/93/99/606719399.db2.gz XWXVSIUVSLFTSO-INIZCTEOSA-N -1 3 399.499 0.874 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC000819858017 606719402 /nfs/dbraw/zinc/71/94/02/606719402.db2.gz XWXVSIUVSLFTSO-INIZCTEOSA-N -1 3 399.499 0.874 20 0 GCADHM O=S(=O)(N1CCC(Nc2ncccc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000823567611 606730917 /nfs/dbraw/zinc/73/09/17/606730917.db2.gz TVGBAVFOUGCLHC-UHFFFAOYSA-N -1 3 377.352 0.988 20 0 GCADHM O=S(=O)(N1CCC(Nc2ncccc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000823567611 606730918 /nfs/dbraw/zinc/73/09/18/606730918.db2.gz TVGBAVFOUGCLHC-UHFFFAOYSA-N -1 3 377.352 0.988 20 0 GCADHM O=S(=O)(CC[C@H]1CCCO1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823557861 606733336 /nfs/dbraw/zinc/73/33/36/606733336.db2.gz SZRIWVCATYDAGF-CQSZACIVSA-N -1 3 392.485 0.888 20 0 GCADHM O=S(=O)(CC[C@H]1CCCO1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823557861 606733338 /nfs/dbraw/zinc/73/33/38/606733338.db2.gz SZRIWVCATYDAGF-CQSZACIVSA-N -1 3 392.485 0.888 20 0 GCADHM O=S(=O)(CC[C@H]1CCCO1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823557684 606733697 /nfs/dbraw/zinc/73/36/97/606733697.db2.gz OQHHAOURDKAMIK-CQSZACIVSA-N -1 3 393.473 0.283 20 0 GCADHM O=S(=O)(CC[C@H]1CCCO1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823557684 606733698 /nfs/dbraw/zinc/73/36/98/606733698.db2.gz OQHHAOURDKAMIK-CQSZACIVSA-N -1 3 393.473 0.283 20 0 GCADHM O=C(NC[C@@H](O)c1ccco1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823166169 606734853 /nfs/dbraw/zinc/73/48/53/606734853.db2.gz GAEFNYHGMCIPQT-LLVKDONJSA-N -1 3 376.760 0.901 20 0 GCADHM O=C(NC[C@@H](O)c1ccco1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823166169 606734855 /nfs/dbraw/zinc/73/48/55/606734855.db2.gz GAEFNYHGMCIPQT-LLVKDONJSA-N -1 3 376.760 0.901 20 0 GCADHM CC(=O)N1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000819796072 606735679 /nfs/dbraw/zinc/73/56/79/606735679.db2.gz BHBGABDYMSROED-UHFFFAOYSA-N -1 3 391.819 0.539 20 0 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606736486 /nfs/dbraw/zinc/73/64/86/606736486.db2.gz ZLRSWYFYKSUSRW-UHFFFAOYSA-N -1 3 377.792 0.183 20 0 GCADHM NC(=O)C1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000822865286 606736488 /nfs/dbraw/zinc/73/64/88/606736488.db2.gz ZLRSWYFYKSUSRW-UHFFFAOYSA-N -1 3 377.792 0.183 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821687716 606736888 /nfs/dbraw/zinc/73/68/88/606736888.db2.gz LIWXFDQHKYQYJU-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821687716 606736890 /nfs/dbraw/zinc/73/68/90/606736890.db2.gz LIWXFDQHKYQYJU-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821662508 606737767 /nfs/dbraw/zinc/73/77/67/606737767.db2.gz FYONCEZBYJRJHN-UHFFFAOYSA-N -1 3 398.832 0.481 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821662508 606737769 /nfs/dbraw/zinc/73/77/69/606737769.db2.gz FYONCEZBYJRJHN-UHFFFAOYSA-N -1 3 398.832 0.481 20 0 GCADHM 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/nfs/dbraw/zinc/79/43/90/606794390.db2.gz JFRJYDHGONBTGP-UHFFFAOYSA-N -1 3 392.846 0.806 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823211897 606795665 /nfs/dbraw/zinc/79/56/65/606795665.db2.gz TZYVVDIVSIEEHU-CVEARBPZSA-N -1 3 388.428 0.835 20 0 GCADHM CC(=O)NC(C)(C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000819802472 606807125 /nfs/dbraw/zinc/80/71/25/606807125.db2.gz CMWUXKUEYUFTGD-UHFFFAOYSA-N -1 3 387.444 0.681 20 0 GCADHM CC(=O)NC(C)(C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000819802472 606807126 /nfs/dbraw/zinc/80/71/26/606807126.db2.gz CMWUXKUEYUFTGD-UHFFFAOYSA-N -1 3 387.444 0.681 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821932920 606807793 /nfs/dbraw/zinc/80/77/93/606807793.db2.gz UIAOOANTZRAHLD-FZMZJTMJSA-N -1 3 387.469 0.967 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821932920 606807795 /nfs/dbraw/zinc/80/77/95/606807795.db2.gz UIAOOANTZRAHLD-FZMZJTMJSA-N -1 3 387.469 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FVQQQSSKTBJUAW-CJNGLKHVSA-N -1 3 389.412 0.661 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000821700164 606812737 /nfs/dbraw/zinc/81/27/37/606812737.db2.gz FVQQQSSKTBJUAW-BBRMVZONSA-N -1 3 389.412 0.661 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000821700164 606812739 /nfs/dbraw/zinc/81/27/39/606812739.db2.gz FVQQQSSKTBJUAW-BBRMVZONSA-N -1 3 389.412 0.661 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000820248065 606813737 /nfs/dbraw/zinc/81/37/37/606813737.db2.gz CEKGDMSCGWYWOK-SWLSCSKDSA-N -1 3 392.485 0.775 20 0 GCADHM CC(C)Cn1cc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000820107792 606813802 /nfs/dbraw/zinc/81/38/02/606813802.db2.gz BZWFJEGSQHUHPL-UHFFFAOYSA-N -1 3 398.431 0.281 20 0 GCADHM CC(C)Cn1cc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000820107792 606813804 /nfs/dbraw/zinc/81/38/04/606813804.db2.gz BZWFJEGSQHUHPL-UHFFFAOYSA-N -1 3 398.431 0.281 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000820248063 606813868 /nfs/dbraw/zinc/81/38/68/606813868.db2.gz CEKGDMSCGWYWOK-IUODEOHRSA-N -1 3 392.485 0.775 20 0 GCADHM COC[C@@](C)(NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000821680711 606814460 /nfs/dbraw/zinc/81/44/60/606814460.db2.gz RKQMYKWYMJZODF-MRXNPFEDSA-N -1 3 379.442 0.794 20 0 GCADHM COC[C@@](C)(NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000821680711 606814462 /nfs/dbraw/zinc/81/44/62/606814462.db2.gz RKQMYKWYMJZODF-MRXNPFEDSA-N -1 3 379.442 0.794 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000823246450 606815029 /nfs/dbraw/zinc/81/50/29/606815029.db2.gz PRKMBGUNHNBKEU-HNNXBMFYSA-N -1 3 396.411 0.497 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000823246450 606815031 /nfs/dbraw/zinc/81/50/31/606815031.db2.gz PRKMBGUNHNBKEU-HNNXBMFYSA-N -1 3 396.411 0.497 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000823210792 606816100 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ZINC000821932683 606818855 /nfs/dbraw/zinc/81/88/55/606818855.db2.gz PIMJIGIQSHRTFG-BPKFXHHPSA-N -1 3 390.469 0.714 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821932683 606818856 /nfs/dbraw/zinc/81/88/56/606818856.db2.gz PIMJIGIQSHRTFG-BPKFXHHPSA-N -1 3 390.469 0.714 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821932781 606818958 /nfs/dbraw/zinc/81/89/58/606818958.db2.gz QZCXVPQQRUEQTP-CABCVRRESA-N -1 3 392.485 0.633 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821932781 606818959 /nfs/dbraw/zinc/81/89/59/606818959.db2.gz QZCXVPQQRUEQTP-CABCVRRESA-N -1 3 392.485 0.633 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821932357 606819004 /nfs/dbraw/zinc/81/90/04/606819004.db2.gz KYIZTEYOXKYYNV-KBPBESRZSA-N -1 3 378.458 0.243 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821932357 606819006 /nfs/dbraw/zinc/81/90/06/606819006.db2.gz KYIZTEYOXKYYNV-KBPBESRZSA-N -1 3 378.458 0.243 20 0 GCADHM COCCN(Cc1ccccn1)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821690500 606819124 /nfs/dbraw/zinc/81/91/24/606819124.db2.gz NXRYJVCAEVXXAS-UHFFFAOYSA-N -1 3 395.423 0.667 20 0 GCADHM COCCN(Cc1ccccn1)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821690500 606819126 /nfs/dbraw/zinc/81/91/26/606819126.db2.gz NXRYJVCAEVXXAS-UHFFFAOYSA-N -1 3 395.423 0.667 20 0 GCADHM C[C@@H](c1nc(-c2nc[nH]n2)no1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000820570449 606823152 /nfs/dbraw/zinc/82/31/52/606823152.db2.gz JYCUWMYGWHLPCD-LURJTMIESA-N -1 3 391.348 0.709 20 0 GCADHM C[C@@H](c1nc(-c2nc[nH]n2)no1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000820570449 606823154 /nfs/dbraw/zinc/82/31/54/606823154.db2.gz JYCUWMYGWHLPCD-LURJTMIESA-N -1 3 391.348 0.709 20 0 GCADHM CC(C)N(CCCNC(=O)CNc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000820116860 606826036 /nfs/dbraw/zinc/82/60/36/606826036.db2.gz QGIJTTZGXRWRGW-UHFFFAOYSA-N -1 3 395.489 0.455 20 0 GCADHM CC(C)N(CCCNC(=O)CNc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000820116860 606826038 /nfs/dbraw/zinc/82/60/38/606826038.db2.gz QGIJTTZGXRWRGW-UHFFFAOYSA-N -1 3 395.489 0.455 20 0 GCADHM C[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N(C)C ZINC000820329349 606827844 /nfs/dbraw/zinc/82/78/44/606827844.db2.gz VVXPOWOGDKOOQM-MRVPVSSYSA-N -1 3 385.350 0.890 20 0 GCADHM C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N(C)C ZINC000820329349 606827846 /nfs/dbraw/zinc/82/78/46/606827846.db2.gz VVXPOWOGDKOOQM-MRVPVSSYSA-N -1 3 385.350 0.890 20 0 GCADHM Cc1cc(=O)c(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c[nH]1 ZINC000822160912 606830160 /nfs/dbraw/zinc/83/01/60/606830160.db2.gz LZBAZLULAREWIH-OAHLLOKOSA-N -1 3 380.364 0.826 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)Nc1nnc(-c2ccco2)o1 ZINC000822659975 606830201 /nfs/dbraw/zinc/83/02/01/606830201.db2.gz STCYIBXLXVEGRD-UHFFFAOYSA-N -1 3 384.312 0.644 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)Nc1nnc(-c2ccco2)o1 ZINC000822659975 606830203 /nfs/dbraw/zinc/83/02/03/606830203.db2.gz STCYIBXLXVEGRD-UHFFFAOYSA-N -1 3 384.312 0.644 20 0 GCADHM CC(C)(CCO)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819975891 606830986 /nfs/dbraw/zinc/83/09/86/606830986.db2.gz DXWCACPSDHVGPG-UHFFFAOYSA-N -1 3 381.458 0.306 20 0 GCADHM C[C@H](O)c1cn(CC(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000820501755 606831316 /nfs/dbraw/zinc/83/13/16/606831316.db2.gz KSWYBESKZIAVNU-UWVGGRQHSA-N -1 3 386.372 0.082 20 0 GCADHM C[C@H](O)c1cn(CC(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000820501755 606831318 /nfs/dbraw/zinc/83/13/18/606831318.db2.gz KSWYBESKZIAVNU-UWVGGRQHSA-N -1 3 386.372 0.082 20 0 GCADHM C[C@@H](OC(=O)Cn1cc([C@H](C)O)nn1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820499996 606831334 /nfs/dbraw/zinc/83/13/34/606831334.db2.gz BIHHQJOQPNFSSW-VHSXEESVSA-N -1 3 386.372 0.082 20 0 GCADHM C[C@@H](OC(=O)Cn1cc([C@H](C)O)nn1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820499996 606831335 /nfs/dbraw/zinc/83/13/35/606831335.db2.gz BIHHQJOQPNFSSW-VHSXEESVSA-N -1 3 386.372 0.082 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823206461 606833861 /nfs/dbraw/zinc/83/38/61/606833861.db2.gz SKYCNFLXHXREQW-KBPBESRZSA-N -1 3 388.432 0.263 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823206461 606833863 /nfs/dbraw/zinc/83/38/63/606833863.db2.gz SKYCNFLXHXREQW-KBPBESRZSA-N -1 3 388.432 0.263 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823206468 606834216 /nfs/dbraw/zinc/83/42/16/606834216.db2.gz SKYCNFLXHXREQW-UONOGXRCSA-N -1 3 388.432 0.263 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823206468 606834217 /nfs/dbraw/zinc/83/42/17/606834217.db2.gz SKYCNFLXHXREQW-UONOGXRCSA-N -1 3 388.432 0.263 20 0 GCADHM C[C@H](O)c1cn(CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)nn1 ZINC000820481304 606834854 /nfs/dbraw/zinc/83/48/54/606834854.db2.gz UPOLAOYNUFKVIY-LBPRGKRZSA-N -1 3 398.427 0.582 20 0 GCADHM C[C@H](O)c1cn(CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)nn1 ZINC000820481304 606834855 /nfs/dbraw/zinc/83/48/55/606834855.db2.gz UPOLAOYNUFKVIY-LBPRGKRZSA-N -1 3 398.427 0.582 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823191776 606838091 /nfs/dbraw/zinc/83/80/91/606838091.db2.gz OOTHDPHBZTUKDP-LLVKDONJSA-N -1 3 378.364 0.256 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823191776 606838093 /nfs/dbraw/zinc/83/80/93/606838093.db2.gz OOTHDPHBZTUKDP-LLVKDONJSA-N -1 3 378.364 0.256 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823333139 606838583 /nfs/dbraw/zinc/83/85/83/606838583.db2.gz YKPPEGZDPLAWSO-KGLIPLIRSA-N -1 3 390.375 0.351 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823333139 606838585 /nfs/dbraw/zinc/83/85/85/606838585.db2.gz YKPPEGZDPLAWSO-KGLIPLIRSA-N -1 3 390.375 0.351 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820734345 606838737 /nfs/dbraw/zinc/83/87/37/606838737.db2.gz LWSAGLICYMQTBQ-IAQYHMDHSA-N -1 3 397.439 0.568 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820734345 606838739 /nfs/dbraw/zinc/83/87/39/606838739.db2.gz LWSAGLICYMQTBQ-IAQYHMDHSA-N -1 3 397.439 0.568 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820734346 606838758 /nfs/dbraw/zinc/83/87/58/606838758.db2.gz LWSAGLICYMQTBQ-NHYWBVRUSA-N -1 3 397.439 0.568 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820734346 606838760 /nfs/dbraw/zinc/83/87/60/606838760.db2.gz LWSAGLICYMQTBQ-NHYWBVRUSA-N -1 3 397.439 0.568 20 0 GCADHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000820862679 606839044 /nfs/dbraw/zinc/83/90/44/606839044.db2.gz QZIFTHJWXNTRES-ONGXEEELSA-N -1 3 394.461 0.136 20 0 GCADHM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000820862679 606839045 /nfs/dbraw/zinc/83/90/45/606839045.db2.gz QZIFTHJWXNTRES-ONGXEEELSA-N -1 3 394.461 0.136 20 0 GCADHM CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821635041 606840926 /nfs/dbraw/zinc/84/09/26/606840926.db2.gz JFPCPPCDHYQZFB-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM Cn1c(CSCCCOc2cccc(-c3nnn[n-]3)c2)cc(=O)n(C)c1=O ZINC000822596633 606840978 /nfs/dbraw/zinc/84/09/78/606840978.db2.gz OGIZEOCOETUKAL-UHFFFAOYSA-N -1 3 388.453 0.966 20 0 GCADHM Cn1c(CSCCCOc2cccc(-c3nn[n-]n3)c2)cc(=O)n(C)c1=O ZINC000822596633 606840980 /nfs/dbraw/zinc/84/09/80/606840980.db2.gz OGIZEOCOETUKAL-UHFFFAOYSA-N -1 3 388.453 0.966 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN(CC(F)(F)F)CC1 ZINC000823607717 606841367 /nfs/dbraw/zinc/84/13/67/606841367.db2.gz WLSXONFMOXJQHB-UHFFFAOYSA-N -1 3 394.354 0.874 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)no1 ZINC000822207188 606842619 /nfs/dbraw/zinc/84/26/19/606842619.db2.gz NQXAOAKHBLVCCX-UHFFFAOYSA-N -1 3 395.376 0.561 20 0 GCADHM COC(=O)[C@H](C)CS(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821639359 606842719 /nfs/dbraw/zinc/84/27/19/606842719.db2.gz WLQVMUWMVQAZJF-LLVKDONJSA-N -1 3 379.442 0.970 20 0 GCADHM COC(=O)[C@H](C)CS(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000821639359 606842721 /nfs/dbraw/zinc/84/27/21/606842721.db2.gz WLQVMUWMVQAZJF-LLVKDONJSA-N -1 3 379.442 0.970 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN(c2cnccn2)CC1 ZINC000823606510 606843202 /nfs/dbraw/zinc/84/32/02/606843202.db2.gz JJRAMSMUOQDHPV-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821440805 606844136 /nfs/dbraw/zinc/84/41/36/606844136.db2.gz CHTYWPMEXXBAFN-SECBINFHSA-N -1 3 391.450 0.450 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821113827 606844187 /nfs/dbraw/zinc/84/41/87/606844187.db2.gz FFVQRNIUGKMZDK-LLVKDONJSA-N -1 3 396.448 0.933 20 0 GCADHM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000823530117 606844591 /nfs/dbraw/zinc/84/45/91/606844591.db2.gz DGBVMDQJJUFXEF-GFCCVEGCSA-N -1 3 394.432 0.781 20 0 GCADHM Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)C2)cn1 ZINC000822674116 606844597 /nfs/dbraw/zinc/84/45/97/606844597.db2.gz LPNAVEKNKXXASV-JTQLQIEISA-N -1 3 377.405 0.918 20 0 GCADHM CC(C)OCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820145719 606844739 /nfs/dbraw/zinc/84/47/39/606844739.db2.gz FCVFKMYIZRZVMA-UHFFFAOYSA-N -1 3 398.464 0.737 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823607753 606846408 /nfs/dbraw/zinc/84/64/08/606846408.db2.gz WUQMXYXSADSYIM-GFCCVEGCSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823607753 606846409 /nfs/dbraw/zinc/84/64/09/606846409.db2.gz WUQMXYXSADSYIM-GFCCVEGCSA-N -1 3 396.448 0.349 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000822222384 606846973 /nfs/dbraw/zinc/84/69/73/606846973.db2.gz FIVJYEZFFFDLPB-KBPBESRZSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000822222384 606846975 /nfs/dbraw/zinc/84/69/75/606846975.db2.gz FIVJYEZFFFDLPB-KBPBESRZSA-N -1 3 379.442 0.744 20 0 GCADHM NC(=O)c1ccc(-c2nnn(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000822879572 606851119 /nfs/dbraw/zinc/85/11/19/606851119.db2.gz CVPWIRPAHMVXRY-CQSZACIVSA-N -1 3 377.368 0.353 20 0 GCADHM NC(=O)c1ccc(-c2nnn(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000822879572 606851121 /nfs/dbraw/zinc/85/11/21/606851121.db2.gz CVPWIRPAHMVXRY-CQSZACIVSA-N -1 3 377.368 0.353 20 0 GCADHM Cn1c(SC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCOCC1 ZINC000822604998 606854741 /nfs/dbraw/zinc/85/47/41/606854741.db2.gz UBYOBKBHXQGVJN-ZDUSSCGKSA-N -1 3 388.457 0.658 20 0 GCADHM Cn1c(SC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCOCC1 ZINC000822604998 606854742 /nfs/dbraw/zinc/85/47/42/606854742.db2.gz UBYOBKBHXQGVJN-ZDUSSCGKSA-N -1 3 388.457 0.658 20 0 GCADHM CCCn1cnc2c1c(=O)n(C[C@H](O)c1ccc(-c3nnn[n-]3)cc1)c(=O)n2C ZINC000821149440 606857310 /nfs/dbraw/zinc/85/73/10/606857310.db2.gz YQCVDAYZJRKAFZ-ZDUSSCGKSA-N -1 3 396.411 0.220 20 0 GCADHM CCCn1cnc2c1c(=O)n(C[C@H](O)c1ccc(-c3nn[n-]n3)cc1)c(=O)n2C ZINC000821149440 606857311 /nfs/dbraw/zinc/85/73/11/606857311.db2.gz YQCVDAYZJRKAFZ-ZDUSSCGKSA-N -1 3 396.411 0.220 20 0 GCADHM CSc1nn(C)c2ncn(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)c(=O)c12 ZINC000821989954 606861844 /nfs/dbraw/zinc/86/18/44/606861844.db2.gz OMBJHOFVNBEBIJ-LLVKDONJSA-N -1 3 384.425 0.766 20 0 GCADHM CSc1nn(C)c2ncn(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)c(=O)c12 ZINC000821989954 606861846 /nfs/dbraw/zinc/86/18/46/606861846.db2.gz OMBJHOFVNBEBIJ-LLVKDONJSA-N -1 3 384.425 0.766 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCN2C1=O ZINC000821241919 606862342 /nfs/dbraw/zinc/86/23/42/606862342.db2.gz QLGPNRWBFXGSGJ-ZDUSSCGKSA-N -1 3 384.400 0.045 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCN2C1=O ZINC000821241919 606862343 /nfs/dbraw/zinc/86/23/43/606862343.db2.gz QLGPNRWBFXGSGJ-ZDUSSCGKSA-N -1 3 384.400 0.045 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822674332 606862648 /nfs/dbraw/zinc/86/26/48/606862648.db2.gz QQVZNEPUVHIHCI-CABCVRRESA-N -1 3 381.396 0.251 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674332 606862650 /nfs/dbraw/zinc/86/26/50/606862650.db2.gz QQVZNEPUVHIHCI-CABCVRRESA-N -1 3 381.396 0.251 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696516 606863144 /nfs/dbraw/zinc/86/31/44/606863144.db2.gz GNMGOLRRPCPECC-CYBMUJFWSA-N -1 3 383.416 0.419 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696516 606863146 /nfs/dbraw/zinc/86/31/46/606863146.db2.gz GNMGOLRRPCPECC-CYBMUJFWSA-N -1 3 383.416 0.419 20 0 GCADHM CCCc1nc(CS(=O)(=O)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000821142263 606863826 /nfs/dbraw/zinc/86/38/26/606863826.db2.gz FVHWIQACBKRHLP-GFCCVEGCSA-N -1 3 378.414 0.851 20 0 GCADHM CCCc1nc(CS(=O)(=O)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000821142263 606863828 /nfs/dbraw/zinc/86/38/28/606863828.db2.gz FVHWIQACBKRHLP-GFCCVEGCSA-N -1 3 378.414 0.851 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@H]1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822860630 606870596 /nfs/dbraw/zinc/87/05/96/606870596.db2.gz ZTHUJVRYJXSLAJ-LSDHHAIUSA-N -1 3 387.444 0.979 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CCN2C1=O ZINC000821241244 606871571 /nfs/dbraw/zinc/87/15/71/606871571.db2.gz LAHVLQRXEBNOOD-RISCZKNCSA-N -1 3 398.427 0.606 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CCN2C1=O ZINC000821241244 606871573 /nfs/dbraw/zinc/87/15/73/606871573.db2.gz LAHVLQRXEBNOOD-RISCZKNCSA-N -1 3 398.427 0.606 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC000819796137 606872917 /nfs/dbraw/zinc/87/29/17/606872917.db2.gz DAJHAUAEBZRVTL-MRVPVSSYSA-N -1 3 386.384 0.386 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC000819796137 606872919 /nfs/dbraw/zinc/87/29/19/606872919.db2.gz DAJHAUAEBZRVTL-MRVPVSSYSA-N -1 3 386.384 0.386 20 0 GCADHM COC(=O)c1ccncc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821671255 606873574 /nfs/dbraw/zinc/87/35/74/606873574.db2.gz OMDOIKBFRQEHHH-UHFFFAOYSA-N -1 3 379.329 0.955 20 0 GCADHM C[C@@H]1C[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CN1Cc1ccccc1 ZINC000820668811 606876637 /nfs/dbraw/zinc/87/66/37/606876637.db2.gz WVINWYOUPOWKPZ-TZMCWYRMSA-N -1 3 396.455 0.339 20 0 GCADHM O=C1OC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)CCN12 ZINC000799791288 606877454 /nfs/dbraw/zinc/87/74/54/606877454.db2.gz YVOQVZGKKNTPTN-QMMMGPOBSA-N -1 3 384.805 0.345 20 0 GCADHM O=C1OC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)CCN12 ZINC000799791288 606877456 /nfs/dbraw/zinc/87/74/56/606877456.db2.gz YVOQVZGKKNTPTN-QMMMGPOBSA-N -1 3 384.805 0.345 20 0 GCADHM Cc1nnc2n1CCN(S(=O)(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)C2 ZINC000822520247 606891013 /nfs/dbraw/zinc/89/10/13/606891013.db2.gz VDIYPYXMDWKVDN-UHFFFAOYSA-N -1 3 382.356 0.249 20 0 GCADHM Cc1nnc2n1CCN(S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)C2 ZINC000822520247 606891015 /nfs/dbraw/zinc/89/10/15/606891015.db2.gz VDIYPYXMDWKVDN-UHFFFAOYSA-N -1 3 382.356 0.249 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822859715 606898020 /nfs/dbraw/zinc/89/80/20/606898020.db2.gz IOAVXZQWGYENRM-MFKMUULPSA-N -1 3 382.421 0.718 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822859715 606898022 /nfs/dbraw/zinc/89/80/22/606898022.db2.gz IOAVXZQWGYENRM-MFKMUULPSA-N -1 3 382.421 0.718 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822859713 606898409 /nfs/dbraw/zinc/89/84/09/606898409.db2.gz IOAVXZQWGYENRM-GWCFXTLKSA-N -1 3 382.421 0.718 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822859713 606898410 /nfs/dbraw/zinc/89/84/10/606898410.db2.gz IOAVXZQWGYENRM-GWCFXTLKSA-N -1 3 382.421 0.718 20 0 GCADHM O=C(COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)N1CCNC1=O ZINC000823397657 606902056 /nfs/dbraw/zinc/90/20/56/606902056.db2.gz YOVHUVGDTIPQJV-UHFFFAOYSA-N -1 3 384.274 0.594 20 0 GCADHM O=C(COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCNC1=O ZINC000823397657 606902057 /nfs/dbraw/zinc/90/20/57/606902057.db2.gz YOVHUVGDTIPQJV-UHFFFAOYSA-N -1 3 384.274 0.594 20 0 GCADHM O=C(OCCN1C(=O)CNC1=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823405971 606902184 /nfs/dbraw/zinc/90/21/84/606902184.db2.gz YTEJVPQABRVYHF-UHFFFAOYSA-N -1 3 384.274 0.594 20 0 GCADHM O=C(OCCN1C(=O)CNC1=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823405971 606902186 /nfs/dbraw/zinc/90/21/86/606902186.db2.gz YTEJVPQABRVYHF-UHFFFAOYSA-N -1 3 384.274 0.594 20 0 GCADHM O=C([C@@H]1CCCc2n[nH]cc21)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822916793 606903361 /nfs/dbraw/zinc/90/33/61/606903361.db2.gz DHCMJVXSNUAPBS-CYBMUJFWSA-N -1 3 379.428 0.754 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000821696730 606907860 /nfs/dbraw/zinc/90/78/60/606907860.db2.gz NWIUNNDIDVEVIT-SNVBAGLBSA-N -1 3 387.379 0.880 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000821696730 606907862 /nfs/dbraw/zinc/90/78/62/606907862.db2.gz NWIUNNDIDVEVIT-SNVBAGLBSA-N -1 3 387.379 0.880 20 0 GCADHM CCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)c(-c2nnn[n-]2)c1CC ZINC000821527836 606909183 /nfs/dbraw/zinc/90/91/83/606909183.db2.gz GXAWQBMBGYOLNG-UHFFFAOYSA-N -1 3 387.492 0.428 20 0 GCADHM CCc1nnc(N2CCN(CC(=O)NC(C)C)CC2)c(-c2nn[n-]n2)c1CC ZINC000821527836 606909185 /nfs/dbraw/zinc/90/91/85/606909185.db2.gz GXAWQBMBGYOLNG-UHFFFAOYSA-N -1 3 387.492 0.428 20 0 GCADHM CCc1nnc(N2CCN(Cc3noc(C)n3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821527485 606911243 /nfs/dbraw/zinc/91/12/43/606911243.db2.gz FXBXJQQBQLOLKD-UHFFFAOYSA-N -1 3 384.448 0.795 20 0 GCADHM CCc1nnc(N2CCN(Cc3noc(C)n3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821527485 606911245 /nfs/dbraw/zinc/91/12/45/606911245.db2.gz FXBXJQQBQLOLKD-UHFFFAOYSA-N -1 3 384.448 0.795 20 0 GCADHM CCc1nnc(Nc2ccc(N3CCNC(=O)C3)nc2)c(-c2nnn[n-]2)c1CC ZINC000821548717 606911720 /nfs/dbraw/zinc/91/17/20/606911720.db2.gz VFBXVHMUMGCHCY-UHFFFAOYSA-N -1 3 394.443 0.856 20 0 GCADHM CCc1nnc(Nc2ccc(N3CCNC(=O)C3)nc2)c(-c2nn[n-]n2)c1CC ZINC000821548717 606911721 /nfs/dbraw/zinc/91/17/21/606911721.db2.gz VFBXVHMUMGCHCY-UHFFFAOYSA-N -1 3 394.443 0.856 20 0 GCADHM CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000820715986 606913971 /nfs/dbraw/zinc/91/39/71/606913971.db2.gz GKQNORKHTXTMJB-LJQANCHMSA-N -1 3 397.439 0.892 20 0 GCADHM CC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000820715986 606913972 /nfs/dbraw/zinc/91/39/72/606913972.db2.gz GKQNORKHTXTMJB-LJQANCHMSA-N -1 3 397.439 0.892 20 0 GCADHM CC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000820715983 606913999 /nfs/dbraw/zinc/91/39/99/606913999.db2.gz GKQNORKHTXTMJB-IBGZPJMESA-N -1 3 397.439 0.892 20 0 GCADHM CC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000820715983 606914000 /nfs/dbraw/zinc/91/40/00/606914000.db2.gz GKQNORKHTXTMJB-IBGZPJMESA-N -1 3 397.439 0.892 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000820704358 606914233 /nfs/dbraw/zinc/91/42/33/606914233.db2.gz NWWHCUQRAGWMEX-CWTRNNRKSA-N -1 3 397.439 0.892 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000820704358 606914235 /nfs/dbraw/zinc/91/42/35/606914235.db2.gz NWWHCUQRAGWMEX-CWTRNNRKSA-N -1 3 397.439 0.892 20 0 GCADHM COCCN(CCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821689912 606918957 /nfs/dbraw/zinc/91/89/57/606918957.db2.gz RLZFRCVVOOHSAA-HNNXBMFYSA-N -1 3 395.485 0.771 20 0 GCADHM COCCN(CCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821689912 606918958 /nfs/dbraw/zinc/91/89/58/606918958.db2.gz RLZFRCVVOOHSAA-HNNXBMFYSA-N -1 3 395.485 0.771 20 0 GCADHM CCc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821523433 606920619 /nfs/dbraw/zinc/92/06/19/606920619.db2.gz WCNQGRQYNQYDET-LLVKDONJSA-N -1 3 394.505 0.547 20 0 GCADHM CCc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821523433 606920621 /nfs/dbraw/zinc/92/06/21/606920621.db2.gz WCNQGRQYNQYDET-LLVKDONJSA-N -1 3 394.505 0.547 20 0 GCADHM CCc1nnc(NCCCN(C)S(=O)(=O)CC)c(-c2nnn[n-]2)c1CC ZINC000821535474 606920852 /nfs/dbraw/zinc/92/08/52/606920852.db2.gz JTNADGUYOQDJQJ-UHFFFAOYSA-N -1 3 382.494 0.865 20 0 GCADHM CCc1nnc(NCCCN(C)S(=O)(=O)CC)c(-c2nn[n-]n2)c1CC ZINC000821535474 606920853 /nfs/dbraw/zinc/92/08/53/606920853.db2.gz JTNADGUYOQDJQJ-UHFFFAOYSA-N -1 3 382.494 0.865 20 0 GCADHM C[S@](=O)CCN1CCN(CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821943633 606928289 /nfs/dbraw/zinc/92/82/89/606928289.db2.gz XPZOWWKFGBPWJF-SANMLTNESA-N -1 3 378.502 0.632 20 0 GCADHM C[S@](=O)CCN1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821943633 606928291 /nfs/dbraw/zinc/92/82/91/606928291.db2.gz XPZOWWKFGBPWJF-SANMLTNESA-N -1 3 378.502 0.632 20 0 GCADHM CC(C)(C)OC(=O)NCc1nnnn1CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819940204 606930421 /nfs/dbraw/zinc/93/04/21/606930421.db2.gz SFGSOCKYGIAEJW-UHFFFAOYSA-N -1 3 387.404 0.957 20 0 GCADHM CCc1nnc(N2CCN(Cc3cnn(C)c3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821528254 606932793 /nfs/dbraw/zinc/93/27/93/606932793.db2.gz MBVJAMHZCRHVBU-UHFFFAOYSA-N -1 3 382.476 0.837 20 0 GCADHM CCc1nnc(N2CCN(Cc3cnn(C)c3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821528254 606932794 /nfs/dbraw/zinc/93/27/94/606932794.db2.gz MBVJAMHZCRHVBU-UHFFFAOYSA-N -1 3 382.476 0.837 20 0 GCADHM CCc1nnc(NC2CCN(CC(=O)N(C)C)CC2)c(-c2nnn[n-]2)c1CC ZINC000821527287 606934226 /nfs/dbraw/zinc/93/42/26/606934226.db2.gz CFMVYXAVVRVAQB-UHFFFAOYSA-N -1 3 387.492 0.746 20 0 GCADHM O=C(CN1CCN2C(=O)OC[C@H]2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823000604 606935273 /nfs/dbraw/zinc/93/52/73/606935273.db2.gz BFQJOZWPXMVBDP-SNVBAGLBSA-N -1 3 377.792 0.595 20 0 GCADHM O=C(CN1CCN2C(=O)OC[C@H]2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823000604 606935275 /nfs/dbraw/zinc/93/52/75/606935275.db2.gz BFQJOZWPXMVBDP-SNVBAGLBSA-N -1 3 377.792 0.595 20 0 GCADHM CCc1nnc(N2CCC[C@H](S(=O)(=O)NC)C2)c(-c2nnn[n-]2)c1CC ZINC000821522258 606935332 /nfs/dbraw/zinc/93/53/32/606935332.db2.gz KOJDOOBGVPSKIH-JTQLQIEISA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCC[C@H](S(=O)(=O)NC)C2)c(-c2nn[n-]n2)c1CC ZINC000821522258 606935334 /nfs/dbraw/zinc/93/53/34/606935334.db2.gz KOJDOOBGVPSKIH-JTQLQIEISA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCC[C@H](CS(N)(=O)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821523640 606935396 /nfs/dbraw/zinc/93/53/96/606935396.db2.gz ZOPXYTYINVTGOA-JTQLQIEISA-N -1 3 380.478 0.286 20 0 GCADHM CCc1nnc(N2CCC[C@H](CS(N)(=O)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821523640 606935397 /nfs/dbraw/zinc/93/53/97/606935397.db2.gz ZOPXYTYINVTGOA-JTQLQIEISA-N -1 3 380.478 0.286 20 0 GCADHM CCc1nnc(N[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821527888 606941693 /nfs/dbraw/zinc/94/16/93/606941693.db2.gz HTGZCJHPYDMDIF-GXFFZTMASA-N -1 3 394.505 0.863 20 0 GCADHM CCc1nnc(N[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821527888 606941695 /nfs/dbraw/zinc/94/16/95/606941695.db2.gz HTGZCJHPYDMDIF-GXFFZTMASA-N -1 3 394.505 0.863 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000822144794 606943470 /nfs/dbraw/zinc/94/34/70/606943470.db2.gz NVBPRMFJDUSMOU-OLZOCXBDSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000822144794 606943471 /nfs/dbraw/zinc/94/34/71/606943471.db2.gz NVBPRMFJDUSMOU-OLZOCXBDSA-N -1 3 376.442 0.607 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@@H]2CCCC[C@H]2N1 ZINC000823536181 606943797 /nfs/dbraw/zinc/94/37/97/606943797.db2.gz UYFHJSAQTZHBRE-VXGBXAGGSA-N -1 3 380.405 0.438 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@@H]2CCCC[C@H]2N1 ZINC000823536181 606943798 /nfs/dbraw/zinc/94/37/98/606943798.db2.gz UYFHJSAQTZHBRE-VXGBXAGGSA-N -1 3 380.405 0.438 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000823535865 606944012 /nfs/dbraw/zinc/94/40/12/606944012.db2.gz KGTBIEQFTBATPX-QWHCGFSZSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000823535865 606944014 /nfs/dbraw/zinc/94/40/14/606944014.db2.gz KGTBIEQFTBATPX-QWHCGFSZSA-N -1 3 396.860 0.952 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c(-c2nnn[n-]2)c1CC ZINC000821535433 606944633 /nfs/dbraw/zinc/94/46/33/606944633.db2.gz IVEPYWMXEIYYAP-ZWNOBZJWSA-N -1 3 394.505 0.911 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c(-c2nn[n-]n2)c1CC ZINC000821535433 606944635 /nfs/dbraw/zinc/94/46/35/606944635.db2.gz IVEPYWMXEIYYAP-ZWNOBZJWSA-N -1 3 394.505 0.911 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(CCO)CC1 ZINC000820152240 606951711 /nfs/dbraw/zinc/95/17/11/606951711.db2.gz VEFXZIVYHOTMFH-UHFFFAOYSA-N -1 3 375.433 0.796 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822369895 606956382 /nfs/dbraw/zinc/95/63/82/606956382.db2.gz OGQRIEDPFUSLKL-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822369895 606956384 /nfs/dbraw/zinc/95/63/84/606956384.db2.gz OGQRIEDPFUSLKL-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM CCN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821165018 606957068 /nfs/dbraw/zinc/95/70/68/606957068.db2.gz MXQDAKKFDREHQP-NSHDSACASA-N -1 3 398.876 0.968 20 0 GCADHM CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821165018 606957070 /nfs/dbraw/zinc/95/70/70/606957070.db2.gz MXQDAKKFDREHQP-NSHDSACASA-N -1 3 398.876 0.968 20 0 GCADHM COC(=O)Cc1cccc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821664002 606958013 /nfs/dbraw/zinc/95/80/13/606958013.db2.gz YHSDWCCDMRXDLH-UHFFFAOYSA-N -1 3 394.391 0.837 20 0 GCADHM COC(=O)Cc1cccc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821664002 606958014 /nfs/dbraw/zinc/95/80/14/606958014.db2.gz YHSDWCCDMRXDLH-UHFFFAOYSA-N -1 3 394.391 0.837 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000820134309 606961216 /nfs/dbraw/zinc/96/12/16/606961216.db2.gz YKVKRQHJPXYDHG-UHFFFAOYSA-N -1 3 375.408 0.175 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000820134309 606961217 /nfs/dbraw/zinc/96/12/17/606961217.db2.gz YKVKRQHJPXYDHG-UHFFFAOYSA-N -1 3 375.408 0.175 20 0 GCADHM C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000821995063 606965311 /nfs/dbraw/zinc/96/53/11/606965311.db2.gz YXJCESHIUZAKAG-JTQLQIEISA-N -1 3 383.368 0.490 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823289194 606966752 /nfs/dbraw/zinc/96/67/52/606966752.db2.gz FUHCZGBVXZEBAH-VIFPVBQESA-N -1 3 391.775 0.122 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823289194 606966754 /nfs/dbraw/zinc/96/67/54/606966754.db2.gz FUHCZGBVXZEBAH-VIFPVBQESA-N -1 3 391.775 0.122 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820994494 606975135 /nfs/dbraw/zinc/97/51/35/606975135.db2.gz IVLPPMKDWUESBN-YPMHNXCESA-N -1 3 395.489 0.763 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820994494 606975136 /nfs/dbraw/zinc/97/51/36/606975136.db2.gz IVLPPMKDWUESBN-YPMHNXCESA-N -1 3 395.489 0.763 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccncc1 ZINC000820451030 606976425 /nfs/dbraw/zinc/97/64/25/606976425.db2.gz RDHZENXKDSCGBP-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccncc1 ZINC000820451030 606976426 /nfs/dbraw/zinc/97/64/26/606976426.db2.gz RDHZENXKDSCGBP-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccncc1 ZINC000820445926 606976662 /nfs/dbraw/zinc/97/66/62/606976662.db2.gz RPFSPCGDYILUTH-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccncc1 ZINC000820445926 606976664 /nfs/dbraw/zinc/97/66/64/606976664.db2.gz RPFSPCGDYILUTH-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000820732984 606977113 /nfs/dbraw/zinc/97/71/13/606977113.db2.gz BPDYMDHJDOIGMQ-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000820732984 606977115 /nfs/dbraw/zinc/97/71/15/606977115.db2.gz BPDYMDHJDOIGMQ-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@H](C)C1 ZINC000820704991 606977447 /nfs/dbraw/zinc/97/74/47/606977447.db2.gz RDVPFITXWCABIT-NWDGAFQWSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](C)C1 ZINC000820704991 606977448 /nfs/dbraw/zinc/97/74/48/606977448.db2.gz RDVPFITXWCABIT-NWDGAFQWSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(C)CC1 ZINC000820717705 606978385 /nfs/dbraw/zinc/97/83/85/606978385.db2.gz UWJZICZPNPYHRR-GFCCVEGCSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(C)CC1 ZINC000820717705 606978387 /nfs/dbraw/zinc/97/83/87/606978387.db2.gz UWJZICZPNPYHRR-GFCCVEGCSA-N -1 3 378.458 0.792 20 0 GCADHM CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821378928 606979087 /nfs/dbraw/zinc/97/90/87/606979087.db2.gz XOSOFEZFLVUHCW-LLVKDONJSA-N -1 3 382.446 0.076 20 0 GCADHM CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821378928 606979089 /nfs/dbraw/zinc/97/90/89/606979089.db2.gz XOSOFEZFLVUHCW-LLVKDONJSA-N -1 3 382.446 0.076 20 0 GCADHM CC(C)OCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820142277 606979679 /nfs/dbraw/zinc/97/96/79/606979679.db2.gz JBZBCXSHHYTCPX-GFCCVEGCSA-N -1 3 396.473 0.465 20 0 GCADHM CC(C)OCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820142277 606979681 /nfs/dbraw/zinc/97/96/81/606979681.db2.gz JBZBCXSHHYTCPX-GFCCVEGCSA-N -1 3 396.473 0.465 20 0 GCADHM COCCc1noc(CN(C)CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821694389 606983622 /nfs/dbraw/zinc/98/36/22/606983622.db2.gz LAWLDENWMLSSIV-UHFFFAOYSA-N -1 3 386.416 0.899 20 0 GCADHM COCCc1noc(CN(C)CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821694389 606983624 /nfs/dbraw/zinc/98/36/24/606983624.db2.gz LAWLDENWMLSSIV-UHFFFAOYSA-N -1 3 386.416 0.899 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nccs1 ZINC000820451895 606985194 /nfs/dbraw/zinc/98/51/94/606985194.db2.gz YCMIQPXTMJULQP-QMMMGPOBSA-N -1 3 379.427 0.629 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nccs1 ZINC000820451895 606985196 /nfs/dbraw/zinc/98/51/96/606985196.db2.gz YCMIQPXTMJULQP-QMMMGPOBSA-N -1 3 379.427 0.629 20 0 GCADHM Cn1nc2c(c1C(=O)N1CCN(c3ncccc3-c3nnn[n-]3)CC1)CCCC2 ZINC000822704187 606987862 /nfs/dbraw/zinc/98/78/62/606987862.db2.gz JPQUCMYXPONZGX-UHFFFAOYSA-N -1 3 393.455 0.836 20 0 GCADHM Cn1nc2c(c1C(=O)N1CCN(c3ncccc3-c3nn[n-]n3)CC1)CCCC2 ZINC000822704187 606987863 /nfs/dbraw/zinc/98/78/63/606987863.db2.gz JPQUCMYXPONZGX-UHFFFAOYSA-N -1 3 393.455 0.836 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000819991992 606988072 /nfs/dbraw/zinc/98/80/72/606988072.db2.gz OEAUXFHQEZSSPM-UHFFFAOYSA-N -1 3 399.411 0.225 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C1CCCC1 ZINC000820445891 606988858 /nfs/dbraw/zinc/98/88/58/606988858.db2.gz RKGQYZNGXCQKOK-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C1CCCC1 ZINC000820445891 606988860 /nfs/dbraw/zinc/98/88/60/606988860.db2.gz RKGQYZNGXCQKOK-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C2CCC1CC2 ZINC000820438672 606988898 /nfs/dbraw/zinc/98/88/98/606988898.db2.gz UOMJHOSVBJLODN-PKSQDBQZSA-N -1 3 376.442 0.687 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C2CCC1CC2 ZINC000820438672 606988899 /nfs/dbraw/zinc/98/88/99/606988899.db2.gz UOMJHOSVBJLODN-PKSQDBQZSA-N -1 3 376.442 0.687 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C2CCC1CC2 ZINC000820443977 606988975 /nfs/dbraw/zinc/98/89/75/606988975.db2.gz CMQHYJJYRSIFDQ-PKSQDBQZSA-N -1 3 376.442 0.687 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C2CCC1CC2 ZINC000820443977 606988976 /nfs/dbraw/zinc/98/89/76/606988976.db2.gz CMQHYJJYRSIFDQ-PKSQDBQZSA-N -1 3 376.442 0.687 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC000820606957 606989765 /nfs/dbraw/zinc/98/97/65/606989765.db2.gz GZWQGNNADDYOJV-QGZVFWFLSA-N -1 3 388.359 0.770 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC000820606957 606989766 /nfs/dbraw/zinc/98/97/66/606989766.db2.gz GZWQGNNADDYOJV-QGZVFWFLSA-N -1 3 388.359 0.770 20 0 GCADHM O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823161988 606989768 /nfs/dbraw/zinc/98/97/68/606989768.db2.gz QOEJDHRBUHOFSM-ZDUSSCGKSA-N -1 3 394.443 0.374 20 0 GCADHM O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823161988 606989769 /nfs/dbraw/zinc/98/97/69/606989769.db2.gz QOEJDHRBUHOFSM-ZDUSSCGKSA-N -1 3 394.443 0.374 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@H]1CCCO1 ZINC000820449741 606990168 /nfs/dbraw/zinc/99/01/68/606990168.db2.gz BMUGATFMUVACAE-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@H]1CCCO1 ZINC000820449741 606990169 /nfs/dbraw/zinc/99/01/69/606990169.db2.gz BMUGATFMUVACAE-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000820987972 606990710 /nfs/dbraw/zinc/99/07/10/606990710.db2.gz CNFJLEHWGDVBCF-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000820987972 606990711 /nfs/dbraw/zinc/99/07/11/606990711.db2.gz CNFJLEHWGDVBCF-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM CC1(C)NC(=O)N(CCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC000820607381 606991303 /nfs/dbraw/zinc/99/13/03/606991303.db2.gz SENNZPUOIPIYOT-UHFFFAOYSA-N -1 3 376.348 0.770 20 0 GCADHM CC1(C)NC(=O)N(CCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC000820607381 606991305 /nfs/dbraw/zinc/99/13/05/606991305.db2.gz SENNZPUOIPIYOT-UHFFFAOYSA-N -1 3 376.348 0.770 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000820734768 606993657 /nfs/dbraw/zinc/99/36/57/606993657.db2.gz OMOATNXHDRKRLF-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000820734768 606993658 /nfs/dbraw/zinc/99/36/58/606993658.db2.gz OMOATNXHDRKRLF-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM CCN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821215779 606993974 /nfs/dbraw/zinc/99/39/74/606993974.db2.gz USSHJJZUVSQWAK-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM CCN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821215779 606993976 /nfs/dbraw/zinc/99/39/76/606993976.db2.gz USSHJJZUVSQWAK-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C(N)=O)CCOCC1 ZINC000819996788 606994795 /nfs/dbraw/zinc/99/47/95/606994795.db2.gz IXVGNILGXGJYOM-UHFFFAOYSA-N -1 3 388.428 0.422 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C(N)=O)CCOCC1 ZINC000819996788 606994796 /nfs/dbraw/zinc/99/47/96/606994796.db2.gz IXVGNILGXGJYOM-UHFFFAOYSA-N -1 3 388.428 0.422 20 0 GCADHM C[C@H](C1CC1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820445482 606995377 /nfs/dbraw/zinc/99/53/77/606995377.db2.gz QLHIOZGFQWCHJK-WDEREUQCSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](C1CC1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820445482 606995378 /nfs/dbraw/zinc/99/53/78/606995378.db2.gz QLHIOZGFQWCHJK-WDEREUQCSA-N -1 3 378.458 0.790 20 0 GCADHM CCn1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000821565043 606995706 /nfs/dbraw/zinc/99/57/06/606995706.db2.gz BCSVPRVLUQUNQV-SNVBAGLBSA-N -1 3 390.429 0.389 20 0 GCADHM CCn1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821565043 606995708 /nfs/dbraw/zinc/99/57/08/606995708.db2.gz BCSVPRVLUQUNQV-SNVBAGLBSA-N -1 3 390.429 0.389 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821578238 606995975 /nfs/dbraw/zinc/99/59/75/606995975.db2.gz USWJFLZGRZTEBU-UHFFFAOYSA-N -1 3 387.444 0.850 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821578238 606995976 /nfs/dbraw/zinc/99/59/76/606995976.db2.gz USWJFLZGRZTEBU-UHFFFAOYSA-N -1 3 387.444 0.850 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCSCC1 ZINC000820438064 606998064 /nfs/dbraw/zinc/99/80/64/606998064.db2.gz HKWFCWMXPGIGQJ-LLVKDONJSA-N -1 3 396.498 0.499 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCSCC1 ZINC000820438064 606998066 /nfs/dbraw/zinc/99/80/66/606998066.db2.gz HKWFCWMXPGIGQJ-LLVKDONJSA-N -1 3 396.498 0.499 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822414446 606998717 /nfs/dbraw/zinc/99/87/17/606998717.db2.gz FZDLDUNRWIOYTA-JTQLQIEISA-N -1 3 390.429 0.512 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822414446 606998719 /nfs/dbraw/zinc/99/87/19/606998719.db2.gz FZDLDUNRWIOYTA-JTQLQIEISA-N -1 3 390.429 0.512 20 0 GCADHM Cc1csc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822414498 606998793 /nfs/dbraw/zinc/99/87/93/606998793.db2.gz HWQNWVZVTCMHHR-VIFPVBQESA-N -1 3 393.454 0.937 20 0 GCADHM Cc1csc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822414498 606998794 /nfs/dbraw/zinc/99/87/94/606998794.db2.gz HWQNWVZVTCMHHR-VIFPVBQESA-N -1 3 393.454 0.937 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C)CCCC1 ZINC000820438600 607001652 /nfs/dbraw/zinc/00/16/52/607001652.db2.gz SQZUOZVVFQJMDU-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C)CCCC1 ZINC000820438600 607001653 /nfs/dbraw/zinc/00/16/53/607001653.db2.gz SQZUOZVVFQJMDU-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM C[C@@H]1[C@H](C)OCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000820819486 607001727 /nfs/dbraw/zinc/00/17/27/607001727.db2.gz JAWHCHQYHLCYCL-SOZUMNATSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@@H]1[C@H](C)OCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000820819486 607001729 /nfs/dbraw/zinc/00/17/29/607001729.db2.gz JAWHCHQYHLCYCL-SOZUMNATSA-N -1 3 385.428 0.700 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822492184 607003967 /nfs/dbraw/zinc/00/39/67/607003967.db2.gz UWPMPGAMVAELAE-UHFFFAOYSA-N -1 3 385.384 0.778 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822492184 607003968 /nfs/dbraw/zinc/00/39/68/607003968.db2.gz UWPMPGAMVAELAE-UHFFFAOYSA-N -1 3 385.384 0.778 20 0 GCADHM Cc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)on1 ZINC000822199873 607004491 /nfs/dbraw/zinc/00/44/91/607004491.db2.gz LBBDEVHLSMVVKJ-JTQLQIEISA-N -1 3 391.413 0.146 20 0 GCADHM Cc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)on1 ZINC000822199873 607004493 /nfs/dbraw/zinc/00/44/93/607004493.db2.gz LBBDEVHLSMVVKJ-JTQLQIEISA-N -1 3 391.413 0.146 20 0 GCADHM COCCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821687012 607016917 /nfs/dbraw/zinc/01/69/17/607016917.db2.gz JPILWNNEEXQOIE-LBPRGKRZSA-N -1 3 396.473 0.466 20 0 GCADHM COCCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821687012 607016919 /nfs/dbraw/zinc/01/69/19/607016919.db2.gz JPILWNNEEXQOIE-LBPRGKRZSA-N -1 3 396.473 0.466 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CCOCC1 ZINC000820450684 607016970 /nfs/dbraw/zinc/01/69/70/607016970.db2.gz ONZUMBGOCLGNTQ-LLVKDONJSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CCOCC1 ZINC000820450684 607016973 /nfs/dbraw/zinc/01/69/73/607016973.db2.gz ONZUMBGOCLGNTQ-LLVKDONJSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1CCOCC1 ZINC000820444514 607017246 /nfs/dbraw/zinc/01/72/46/607017246.db2.gz JYYGIKHRHQHJTK-NSHDSACASA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCOCC1 ZINC000820444514 607017247 /nfs/dbraw/zinc/01/72/47/607017247.db2.gz JYYGIKHRHQHJTK-NSHDSACASA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc[nH]c1=O ZINC000820447008 607017252 /nfs/dbraw/zinc/01/72/52/607017252.db2.gz XYJJROZHZAFOGV-VIFPVBQESA-N -1 3 389.397 0.273 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc[nH]c1=O ZINC000820447008 607017253 /nfs/dbraw/zinc/01/72/53/607017253.db2.gz XYJJROZHZAFOGV-VIFPVBQESA-N -1 3 389.397 0.273 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@H]1CCCO1 ZINC000820444765 607019590 /nfs/dbraw/zinc/01/95/90/607019590.db2.gz LRLYVMSLAGPRGH-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@H]1CCCO1 ZINC000820444765 607019592 /nfs/dbraw/zinc/01/95/92/607019592.db2.gz LRLYVMSLAGPRGH-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000820438314 607019985 /nfs/dbraw/zinc/01/99/85/607019985.db2.gz MTZFQDDXQXKAIJ-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000820438314 607019988 /nfs/dbraw/zinc/01/99/88/607019988.db2.gz MTZFQDDXQXKAIJ-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCSCC1 ZINC000820451877 607020130 /nfs/dbraw/zinc/02/01/30/607020130.db2.gz XUVZGYLEBLMGEX-JTQLQIEISA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCSCC1 ZINC000820451877 607020131 /nfs/dbraw/zinc/02/01/31/607020131.db2.gz XUVZGYLEBLMGEX-JTQLQIEISA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCO[C@H](C)C1 ZINC000820734204 607020302 /nfs/dbraw/zinc/02/03/02/607020302.db2.gz LSCZFUOHRATVDT-NEPJUHHUSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCO[C@H](C)C1 ZINC000820734204 607020304 /nfs/dbraw/zinc/02/03/04/607020304.db2.gz LSCZFUOHRATVDT-NEPJUHHUSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820979425 607021198 /nfs/dbraw/zinc/02/11/98/607021198.db2.gz ICAJLOXWMSZENN-AAEUAGOBSA-N -1 3 378.458 0.935 20 0 GCADHM CC[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820979425 607021200 /nfs/dbraw/zinc/02/12/00/607021200.db2.gz ICAJLOXWMSZENN-AAEUAGOBSA-N -1 3 378.458 0.935 20 0 GCADHM CO[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821679860 607021359 /nfs/dbraw/zinc/02/13/59/607021359.db2.gz OZTAUJXEXUYKLQ-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821679860 607021361 /nfs/dbraw/zinc/02/13/61/607021361.db2.gz OZTAUJXEXUYKLQ-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821679759 607021390 /nfs/dbraw/zinc/02/13/90/607021390.db2.gz LQIPORLUWPTRRC-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821679759 607021392 /nfs/dbraw/zinc/02/13/92/607021392.db2.gz LQIPORLUWPTRRC-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820979427 607021572 /nfs/dbraw/zinc/02/15/72/607021572.db2.gz ICAJLOXWMSZENN-DGCLKSJQSA-N -1 3 378.458 0.935 20 0 GCADHM CC[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820979427 607021573 /nfs/dbraw/zinc/02/15/73/607021573.db2.gz ICAJLOXWMSZENN-DGCLKSJQSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000820438499 607022342 /nfs/dbraw/zinc/02/23/42/607022342.db2.gz QUMVKVKYYKDFRC-UHIISALHSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000820438499 607022344 /nfs/dbraw/zinc/02/23/44/607022344.db2.gz QUMVKVKYYKDFRC-UHIISALHSA-N -1 3 378.458 0.838 20 0 GCADHM CC[C@@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821000306 607036813 /nfs/dbraw/zinc/03/68/13/607036813.db2.gz CMORBOHTEZYISI-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821000306 607036815 /nfs/dbraw/zinc/03/68/15/607036815.db2.gz CMORBOHTEZYISI-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCC1CC1 ZINC000820446379 607037886 /nfs/dbraw/zinc/03/78/86/607037886.db2.gz VQQOVNXVIVQGRJ-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC1CC1 ZINC000820446379 607037888 /nfs/dbraw/zinc/03/78/88/607037888.db2.gz VQQOVNXVIVQGRJ-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC000821149341 607039568 /nfs/dbraw/zinc/03/95/68/607039568.db2.gz VVSDQNOBGOXRAD-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC000821149341 607039569 /nfs/dbraw/zinc/03/95/69/607039569.db2.gz VVSDQNOBGOXRAD-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC=CCC1 ZINC000820443964 607039855 /nfs/dbraw/zinc/03/98/55/607039855.db2.gz CEPSQBNPGRVNSC-YPMHNXCESA-N -1 3 376.442 0.758 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC=CCC1 ZINC000820443964 607039857 /nfs/dbraw/zinc/03/98/57/607039857.db2.gz CEPSQBNPGRVNSC-YPMHNXCESA-N -1 3 376.442 0.758 20 0 GCADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000821117833 607041047 /nfs/dbraw/zinc/04/10/47/607041047.db2.gz BCBILQXMBMPOMY-UHFFFAOYSA-N -1 3 386.416 0.958 20 0 GCADHM O=C(COc1ccc(Br)cc1-c1nnn[n-]1)NC(=O)NC1CC1 ZINC000823040954 607042152 /nfs/dbraw/zinc/04/21/52/607042152.db2.gz SZRTZYDDBAGWKF-UHFFFAOYSA-N -1 3 381.190 0.996 20 0 GCADHM O=C(COc1ccc(Br)cc1-c1nn[n-]n1)NC(=O)NC1CC1 ZINC000823040954 607042153 /nfs/dbraw/zinc/04/21/53/607042153.db2.gz SZRTZYDDBAGWKF-UHFFFAOYSA-N -1 3 381.190 0.996 20 0 GCADHM CC(C)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438635 607042398 /nfs/dbraw/zinc/04/23/98/607042398.db2.gz TYGZYKUBLDYICC-VXGBXAGGSA-N -1 3 380.474 0.942 20 0 GCADHM CC(C)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438635 607042399 /nfs/dbraw/zinc/04/23/99/607042399.db2.gz TYGZYKUBLDYICC-VXGBXAGGSA-N -1 3 380.474 0.942 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000820438474 607042674 /nfs/dbraw/zinc/04/26/74/607042674.db2.gz QGBDZMOYXUJOES-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000820438474 607042676 /nfs/dbraw/zinc/04/26/76/607042676.db2.gz QGBDZMOYXUJOES-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM CC(C)[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820450042 607042847 /nfs/dbraw/zinc/04/28/47/607042847.db2.gz GFHMJOCSFXONNO-RYUDHWBXSA-N -1 3 380.474 0.942 20 0 GCADHM CC(C)[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820450042 607042848 /nfs/dbraw/zinc/04/28/48/607042848.db2.gz GFHMJOCSFXONNO-RYUDHWBXSA-N -1 3 380.474 0.942 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000820650556 607042850 /nfs/dbraw/zinc/04/28/50/607042850.db2.gz VRRGLBBHIINHFK-UTUOFQBUSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000820650556 607042851 /nfs/dbraw/zinc/04/28/51/607042851.db2.gz VRRGLBBHIINHFK-UTUOFQBUSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820450043 607043084 /nfs/dbraw/zinc/04/30/84/607043084.db2.gz GFHMJOCSFXONNO-VXGBXAGGSA-N -1 3 380.474 0.942 20 0 GCADHM CC(C)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820450043 607043087 /nfs/dbraw/zinc/04/30/87/607043087.db2.gz GFHMJOCSFXONNO-VXGBXAGGSA-N -1 3 380.474 0.942 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000820648710 607043264 /nfs/dbraw/zinc/04/32/64/607043264.db2.gz FVOBPQKPQWITHW-WOPDTQHZSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000820648710 607043265 /nfs/dbraw/zinc/04/32/65/607043265.db2.gz FVOBPQKPQWITHW-WOPDTQHZSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000819991962 607047487 /nfs/dbraw/zinc/04/74/87/607047487.db2.gz NGBICHCEXKCLOK-HNNXBMFYSA-N -1 3 386.456 0.957 20 0 GCADHM C[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)S(=O)(=O)C1CCOCC1 ZINC000819867599 607048787 /nfs/dbraw/zinc/04/87/87/607048787.db2.gz URANQQCDWAWDDT-JTQLQIEISA-N -1 3 397.432 0.604 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(C)(C)C1 ZINC000820444469 607049296 /nfs/dbraw/zinc/04/92/96/607049296.db2.gz JOLXZAHGEQPMMC-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(C)(C)C1 ZINC000820444469 607049297 /nfs/dbraw/zinc/04/92/97/607049297.db2.gz JOLXZAHGEQPMMC-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000822222863 607049891 /nfs/dbraw/zinc/04/98/91/607049891.db2.gz WHGKRBACAIKCHE-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000822222863 607049893 /nfs/dbraw/zinc/04/98/93/607049893.db2.gz WHGKRBACAIKCHE-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000822222898 607049920 /nfs/dbraw/zinc/04/99/20/607049920.db2.gz XNJIQNQLZJDOAZ-UHFFFAOYSA-N -1 3 395.422 0.590 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000822222898 607049922 /nfs/dbraw/zinc/04/99/22/607049922.db2.gz XNJIQNQLZJDOAZ-UHFFFAOYSA-N -1 3 395.422 0.590 20 0 GCADHM Cc1nsc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822534952 607050822 /nfs/dbraw/zinc/05/08/22/607050822.db2.gz DOBHTNJQXZMRBB-ZETCQYMHSA-N -1 3 394.442 0.332 20 0 GCADHM Cc1nsc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822534952 607050823 /nfs/dbraw/zinc/05/08/23/607050823.db2.gz DOBHTNJQXZMRBB-ZETCQYMHSA-N -1 3 394.442 0.332 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000820438573 607051049 /nfs/dbraw/zinc/05/10/49/607051049.db2.gz SGAPDUKMNGHMFW-SRVKXCTJSA-N -1 3 378.458 0.648 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000820438573 607051051 /nfs/dbraw/zinc/05/10/51/607051051.db2.gz SGAPDUKMNGHMFW-SRVKXCTJSA-N -1 3 378.458 0.648 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000820445141 607051103 /nfs/dbraw/zinc/05/11/03/607051103.db2.gz NXQXFRXPAXZURS-TUAOUCFPSA-N -1 3 378.458 0.648 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000820445141 607051104 /nfs/dbraw/zinc/05/11/04/607051104.db2.gz NXQXFRXPAXZURS-TUAOUCFPSA-N -1 3 378.458 0.648 20 0 GCADHM CSC(C)(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821943199 607051500 /nfs/dbraw/zinc/05/15/00/607051500.db2.gz UEDFBLFFIMWUOB-SNVBAGLBSA-N -1 3 398.514 0.791 20 0 GCADHM CSC(C)(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821943199 607051501 /nfs/dbraw/zinc/05/15/01/607051501.db2.gz UEDFBLFFIMWUOB-SNVBAGLBSA-N -1 3 398.514 0.791 20 0 GCADHM CCC1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820966980 607052757 /nfs/dbraw/zinc/05/27/57/607052757.db2.gz JIYCJRIGDCSNLZ-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM CCC1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820966980 607052760 /nfs/dbraw/zinc/05/27/60/607052760.db2.gz JIYCJRIGDCSNLZ-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM CCN(CC(C)(C)O)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821169755 607052823 /nfs/dbraw/zinc/05/28/23/607052823.db2.gz CRDMXRMFFRITGT-NSHDSACASA-N -1 3 396.473 0.153 20 0 GCADHM CCN(CC(C)(C)O)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821169755 607052825 /nfs/dbraw/zinc/05/28/25/607052825.db2.gz CRDMXRMFFRITGT-NSHDSACASA-N -1 3 396.473 0.153 20 0 GCADHM COCCC(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821685876 607053225 /nfs/dbraw/zinc/05/32/25/607053225.db2.gz TWGHZZAYWWFNGU-LLVKDONJSA-N -1 3 396.473 0.465 20 0 GCADHM COCCC(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821685876 607053227 /nfs/dbraw/zinc/05/32/27/607053227.db2.gz TWGHZZAYWWFNGU-LLVKDONJSA-N -1 3 396.473 0.465 20 0 GCADHM COCCC(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821685877 607053531 /nfs/dbraw/zinc/05/35/31/607053531.db2.gz TWGHZZAYWWFNGU-NSHDSACASA-N -1 3 396.473 0.465 20 0 GCADHM COCCC(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821685877 607053532 /nfs/dbraw/zinc/05/35/32/607053532.db2.gz TWGHZZAYWWFNGU-NSHDSACASA-N -1 3 396.473 0.465 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](C)[C@H]1C ZINC000820438397 607053720 /nfs/dbraw/zinc/05/37/20/607053720.db2.gz OQGJAUMDVQLZDB-SDDRHHMPSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](C)[C@H]1C ZINC000820438397 607053721 /nfs/dbraw/zinc/05/37/21/607053721.db2.gz OQGJAUMDVQLZDB-SDDRHHMPSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)N1C(=O)C[C@@H](NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820120374 607053972 /nfs/dbraw/zinc/05/39/72/607053972.db2.gz DOAHNYYBPYBNQG-CYBMUJFWSA-N -1 3 386.412 0.676 20 0 GCADHM CC(C)N1C(=O)C[C@@H](NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820120374 607053973 /nfs/dbraw/zinc/05/39/73/607053973.db2.gz DOAHNYYBPYBNQG-CYBMUJFWSA-N -1 3 386.412 0.676 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000820438398 607054116 /nfs/dbraw/zinc/05/41/16/607054116.db2.gz OQGJAUMDVQLZDB-SRVKXCTJSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000820438398 607054117 /nfs/dbraw/zinc/05/41/17/607054117.db2.gz OQGJAUMDVQLZDB-SRVKXCTJSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C)CCC1 ZINC000820452078 607054390 /nfs/dbraw/zinc/05/43/90/607054390.db2.gz ZGROBTCOBNGJRM-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C)CCC1 ZINC000820452078 607054392 /nfs/dbraw/zinc/05/43/92/607054392.db2.gz ZGROBTCOBNGJRM-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM COC[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821683804 607054952 /nfs/dbraw/zinc/05/49/52/607054952.db2.gz KMOIECSXAJZLRR-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM COC[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821683804 607054953 /nfs/dbraw/zinc/05/49/53/607054953.db2.gz KMOIECSXAJZLRR-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM NC(=O)c1ccc(N2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)nc1 ZINC000822885382 607059262 /nfs/dbraw/zinc/05/92/62/607059262.db2.gz NPXBXTGOQRFBRS-UHFFFAOYSA-N -1 3 382.403 0.822 20 0 GCADHM CC[C@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820902806 607061277 /nfs/dbraw/zinc/06/12/77/607061277.db2.gz NVVXRLFHVAADEJ-VXGBXAGGSA-N -1 3 396.473 0.058 20 0 GCADHM CC[C@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820902806 607061278 /nfs/dbraw/zinc/06/12/78/607061278.db2.gz NVVXRLFHVAADEJ-VXGBXAGGSA-N -1 3 396.473 0.058 20 0 GCADHM O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823161042 607061414 /nfs/dbraw/zinc/06/14/14/607061414.db2.gz KEUNTCOKPQHCGH-AWEZNQCLSA-N -1 3 394.443 0.374 20 0 GCADHM O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823162588 607061731 /nfs/dbraw/zinc/06/17/31/607061731.db2.gz WYBLXGWZSDULMN-CQSZACIVSA-N -1 3 393.455 0.979 20 0 GCADHM O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823161251 607061794 /nfs/dbraw/zinc/06/17/94/607061794.db2.gz LHMLFZHMRHOXKQ-CQSZACIVSA-N -1 3 394.443 0.374 20 0 GCADHM COC(C)(C)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821672481 607062041 /nfs/dbraw/zinc/06/20/41/607062041.db2.gz MEQRBHKXPCEWTM-LLVKDONJSA-N -1 3 396.473 0.417 20 0 GCADHM COC(C)(C)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821672481 607062043 /nfs/dbraw/zinc/06/20/43/607062043.db2.gz MEQRBHKXPCEWTM-LLVKDONJSA-N -1 3 396.473 0.417 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820994125 607063287 /nfs/dbraw/zinc/06/32/87/607063287.db2.gz DWJHQFUJJCEGOF-SMDDNHRTSA-N -1 3 378.458 0.657 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820994125 607063290 /nfs/dbraw/zinc/06/32/90/607063290.db2.gz DWJHQFUJJCEGOF-SMDDNHRTSA-N -1 3 378.458 0.657 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)COc1ccc(-c3nnn[n-]3)cc1OC)C2 ZINC000821727594 607063804 /nfs/dbraw/zinc/06/38/04/607063804.db2.gz KXEPHRHFAAGYCW-UHFFFAOYSA-N -1 3 397.395 0.638 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)COc1ccc(-c3nn[n-]n3)cc1OC)C2 ZINC000821727594 607063807 /nfs/dbraw/zinc/06/38/07/607063807.db2.gz KXEPHRHFAAGYCW-UHFFFAOYSA-N -1 3 397.395 0.638 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822993484 607076190 /nfs/dbraw/zinc/07/61/90/607076190.db2.gz UOJHPNJIKXNUCC-UHFFFAOYSA-N -1 3 388.359 0.914 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822993484 607076191 /nfs/dbraw/zinc/07/61/91/607076191.db2.gz UOJHPNJIKXNUCC-UHFFFAOYSA-N -1 3 388.359 0.914 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821640466 607078579 /nfs/dbraw/zinc/07/85/79/607078579.db2.gz IXIQGXIMIVQVNN-HNNXBMFYSA-N -1 3 390.444 0.381 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821640466 607078581 /nfs/dbraw/zinc/07/85/81/607078581.db2.gz IXIQGXIMIVQVNN-HNNXBMFYSA-N -1 3 390.444 0.381 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821696601 607079998 /nfs/dbraw/zinc/07/99/98/607079998.db2.gz JBRUZXYRANRETJ-ZDUSSCGKSA-N -1 3 378.458 0.667 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821696601 607079999 /nfs/dbraw/zinc/07/99/99/607079999.db2.gz JBRUZXYRANRETJ-ZDUSSCGKSA-N -1 3 378.458 0.667 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCOC1 ZINC000820444311 607080590 /nfs/dbraw/zinc/08/05/90/607080590.db2.gz IHQBPLUUYCQAAG-WDEREUQCSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCOC1 ZINC000820444311 607080591 /nfs/dbraw/zinc/08/05/91/607080591.db2.gz IHQBPLUUYCQAAG-WDEREUQCSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1(C)COC1 ZINC000820450985 607082837 /nfs/dbraw/zinc/08/28/37/607082837.db2.gz QKHOFJNBGUZKEJ-SNVBAGLBSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1(C)COC1 ZINC000820450985 607082840 /nfs/dbraw/zinc/08/28/40/607082840.db2.gz QKHOFJNBGUZKEJ-SNVBAGLBSA-N -1 3 381.414 0.113 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822010269 607084427 /nfs/dbraw/zinc/08/44/27/607084427.db2.gz VVZGYUKHXWNPQL-UHFFFAOYSA-N -1 3 383.343 0.936 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822010269 607084428 /nfs/dbraw/zinc/08/44/28/607084428.db2.gz VVZGYUKHXWNPQL-UHFFFAOYSA-N -1 3 383.343 0.936 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c(=O)n(C)c1 ZINC000822207413 607084701 /nfs/dbraw/zinc/08/47/01/607084701.db2.gz VOFHUPIONSEZEI-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c(=O)n(C)c1 ZINC000822207413 607084702 /nfs/dbraw/zinc/08/47/02/607084702.db2.gz VOFHUPIONSEZEI-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM CO[C@@H](C)CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821673478 607091456 /nfs/dbraw/zinc/09/14/56/607091456.db2.gz CHWUESTWDDHAFK-WDEREUQCSA-N -1 3 383.430 0.502 20 0 GCADHM CO[C@@H](C)CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821673478 607091458 /nfs/dbraw/zinc/09/14/58/607091458.db2.gz CHWUESTWDDHAFK-WDEREUQCSA-N -1 3 383.430 0.502 20 0 GCADHM CO[C@@H](C)CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821673955 607091542 /nfs/dbraw/zinc/09/15/42/607091542.db2.gz PFVUJRZLQXCHRD-WDEREUQCSA-N -1 3 383.430 0.502 20 0 GCADHM CO[C@@H](C)CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821673955 607091544 /nfs/dbraw/zinc/09/15/44/607091544.db2.gz PFVUJRZLQXCHRD-WDEREUQCSA-N -1 3 383.430 0.502 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000820446815 607092224 /nfs/dbraw/zinc/09/22/24/607092224.db2.gz XHSIDNDMKBJFHD-GVXVVHGQSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000820446815 607092226 /nfs/dbraw/zinc/09/22/26/607092226.db2.gz XHSIDNDMKBJFHD-GVXVVHGQSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820804292 607093291 /nfs/dbraw/zinc/09/32/91/607093291.db2.gz PUDPAALTFMNPAS-PSASIEDQSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820804292 607093292 /nfs/dbraw/zinc/09/32/92/607093292.db2.gz PUDPAALTFMNPAS-PSASIEDQSA-N -1 3 380.792 0.067 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(=O)n(C)c1 ZINC000822206853 607093499 /nfs/dbraw/zinc/09/34/99/607093499.db2.gz BFKNCLKOAOFAPE-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c(=O)n(C)c1 ZINC000822206853 607093501 /nfs/dbraw/zinc/09/35/01/607093501.db2.gz BFKNCLKOAOFAPE-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821170585 607093706 /nfs/dbraw/zinc/09/37/06/607093706.db2.gz TYPSAUUCSYZGCY-CQSZACIVSA-N -1 3 399.455 0.973 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821170585 607093707 /nfs/dbraw/zinc/09/37/07/607093707.db2.gz TYPSAUUCSYZGCY-CQSZACIVSA-N -1 3 399.455 0.973 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821170600 607093768 /nfs/dbraw/zinc/09/37/68/607093768.db2.gz UKRWCQPTMUOJOS-OAHLLOKOSA-N -1 3 399.455 0.973 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821170600 607093769 /nfs/dbraw/zinc/09/37/69/607093769.db2.gz UKRWCQPTMUOJOS-OAHLLOKOSA-N -1 3 399.455 0.973 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000821401306 607095482 /nfs/dbraw/zinc/09/54/82/607095482.db2.gz VPAHMUYDUBIFBG-AULYBMBSSA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000821401306 607095484 /nfs/dbraw/zinc/09/54/84/607095484.db2.gz VPAHMUYDUBIFBG-AULYBMBSSA-N -1 3 388.428 0.871 20 0 GCADHM O=C(NC[C@@H]1CCCS1(=O)=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823175405 607096253 /nfs/dbraw/zinc/09/62/53/607096253.db2.gz 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COCCn1cc(NC(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)cn1 ZINC000821695067 607101793 /nfs/dbraw/zinc/10/17/93/607101793.db2.gz HWDRFXKVBBXGOS-UHFFFAOYSA-N -1 3 389.445 0.944 20 0 GCADHM COCCn1cc(NC(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)cn1 ZINC000821695067 607101794 /nfs/dbraw/zinc/10/17/94/607101794.db2.gz HWDRFXKVBBXGOS-UHFFFAOYSA-N -1 3 389.445 0.944 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000820032119 607102549 /nfs/dbraw/zinc/10/25/49/607102549.db2.gz LKHLAFNYKRVUCP-OCCSQVGLSA-N -1 3 399.411 0.033 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000820032119 607102551 /nfs/dbraw/zinc/10/25/51/607102551.db2.gz LKHLAFNYKRVUCP-OCCSQVGLSA-N -1 3 399.411 0.033 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821139172 607102963 /nfs/dbraw/zinc/10/29/63/607102963.db2.gz QTOVQYGNUWOCDW-CQSZACIVSA-N -1 3 386.460 0.742 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821139172 607102965 /nfs/dbraw/zinc/10/29/65/607102965.db2.gz QTOVQYGNUWOCDW-CQSZACIVSA-N -1 3 386.460 0.742 20 0 GCADHM O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823150164 607110829 /nfs/dbraw/zinc/11/08/29/607110829.db2.gz LOARODGPKISOAE-CQSZACIVSA-N -1 3 394.443 0.894 20 0 GCADHM COC(=O)NC(C)(C)C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821664807 607111283 /nfs/dbraw/zinc/11/12/83/607111283.db2.gz KATVHXIKLXHMQO-GFCCVEGCSA-N -1 3 388.384 0.650 20 0 GCADHM COC(=O)NC(C)(C)C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821664807 607111285 /nfs/dbraw/zinc/11/12/85/607111285.db2.gz KATVHXIKLXHMQO-GFCCVEGCSA-N -1 3 388.384 0.650 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000819976609 607113494 /nfs/dbraw/zinc/11/34/94/607113494.db2.gz ZCTRKVQPLXBEQC-WDEREUQCSA-N -1 3 376.421 0.578 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000819976609 607113495 /nfs/dbraw/zinc/11/34/95/607113495.db2.gz ZCTRKVQPLXBEQC-WDEREUQCSA-N -1 3 376.421 0.578 20 0 GCADHM C[C@@H](C(=O)OCc1ccccc1-c1nnn[n-]1)S(=O)(=O)C1CCOCC1 ZINC000819883234 607114456 /nfs/dbraw/zinc/11/44/56/607114456.db2.gz GCRCSDHHZHJHLC-NSHDSACASA-N -1 3 380.426 0.892 20 0 GCADHM C[C@@H](C(=O)OCc1ccccc1-c1nn[n-]n1)S(=O)(=O)C1CCOCC1 ZINC000819883234 607114457 /nfs/dbraw/zinc/11/44/57/607114457.db2.gz GCRCSDHHZHJHLC-NSHDSACASA-N -1 3 380.426 0.892 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCCCC1=O ZINC000820445431 607115996 /nfs/dbraw/zinc/11/59/96/607115996.db2.gz PUZLGRNDAHMEBK-QMTHXVAHSA-N -1 3 393.425 0.588 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCCCC1=O ZINC000820445431 607115998 /nfs/dbraw/zinc/11/59/98/607115998.db2.gz PUZLGRNDAHMEBK-QMTHXVAHSA-N -1 3 393.425 0.588 20 0 GCADHM CCCNC(=O)NC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821114599 607118240 /nfs/dbraw/zinc/11/82/40/607118240.db2.gz YYNPIOMPFDADOX-UHFFFAOYSA-N -1 3 390.400 0.803 20 0 GCADHM CCCNC(=O)NC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821114599 607118241 /nfs/dbraw/zinc/11/82/41/607118241.db2.gz YYNPIOMPFDADOX-UHFFFAOYSA-N -1 3 390.400 0.803 20 0 GCADHM CCOCCNC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821377480 607118620 /nfs/dbraw/zinc/11/86/20/607118620.db2.gz CRIIVMRBWNZSME-UHFFFAOYSA-N -1 3 377.401 0.720 20 0 GCADHM CCOCCNC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821377480 607118621 /nfs/dbraw/zinc/11/86/21/607118621.db2.gz CRIIVMRBWNZSME-UHFFFAOYSA-N -1 3 377.401 0.720 20 0 GCADHM CCS(=O)(=O)NCCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821441468 607118634 /nfs/dbraw/zinc/11/86/34/607118634.db2.gz LTAAOAVVTOAIDU-UHFFFAOYSA-N -1 3 383.430 0.507 20 0 GCADHM CC(=O)CCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819783422 607120317 /nfs/dbraw/zinc/12/03/17/607120317.db2.gz XBTPDEIOXOHCPO-GFCCVEGCSA-N -1 3 395.441 0.836 20 0 GCADHM CC(=O)CCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819783422 607120318 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CCCOC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821127348 607182490 /nfs/dbraw/zinc/18/24/90/607182490.db2.gz GFYNXJDLDNZICF-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM COC[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000821684556 607182615 /nfs/dbraw/zinc/18/26/15/607182615.db2.gz CXZDFFVQZKVNKP-SNVBAGLBSA-N -1 3 380.792 0.332 20 0 GCADHM COC[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000821684556 607182616 /nfs/dbraw/zinc/18/26/16/607182616.db2.gz CXZDFFVQZKVNKP-SNVBAGLBSA-N -1 3 380.792 0.332 20 0 GCADHM COC[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000821684555 607182772 /nfs/dbraw/zinc/18/27/72/607182772.db2.gz CXZDFFVQZKVNKP-JTQLQIEISA-N -1 3 380.792 0.332 20 0 GCADHM COC[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000821684555 607182773 /nfs/dbraw/zinc/18/27/73/607182773.db2.gz CXZDFFVQZKVNKP-JTQLQIEISA-N -1 3 380.792 0.332 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820307560 607182993 /nfs/dbraw/zinc/18/29/93/607182993.db2.gz NSFVVPGTHUWNII-QMMMGPOBSA-N -1 3 375.780 0.255 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820307560 607182994 /nfs/dbraw/zinc/18/29/94/607182994.db2.gz NSFVVPGTHUWNII-QMMMGPOBSA-N -1 3 375.780 0.255 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@H]1CCc2nccn2C1 ZINC000823314989 607183132 /nfs/dbraw/zinc/18/31/32/607183132.db2.gz VZKYFVQPSBTBQQ-JTQLQIEISA-N -1 3 386.803 0.786 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@H]1CCc2nccn2C1 ZINC000823314989 607183133 /nfs/dbraw/zinc/18/31/33/607183133.db2.gz VZKYFVQPSBTBQQ-JTQLQIEISA-N -1 3 386.803 0.786 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000821655010 607183400 /nfs/dbraw/zinc/18/34/00/607183400.db2.gz CDZNZSQUSCERIU-UHFFFAOYSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821655010 607183401 /nfs/dbraw/zinc/18/34/01/607183401.db2.gz CDZNZSQUSCERIU-UHFFFAOYSA-N -1 3 392.803 0.870 20 0 GCADHM CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821951282 607183586 /nfs/dbraw/zinc/18/35/86/607183586.db2.gz VWCKNJHDBCHUIC-RDDDGLTNSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821951282 607183587 /nfs/dbraw/zinc/18/35/87/607183587.db2.gz VWCKNJHDBCHUIC-RDDDGLTNSA-N -1 3 384.849 0.687 20 0 GCADHM NC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)o1 ZINC000822884851 607183659 /nfs/dbraw/zinc/18/36/59/607183659.db2.gz BCUREBKCFBNHDY-UHFFFAOYSA-N -1 3 389.759 0.467 20 0 GCADHM NC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000822884851 607183660 /nfs/dbraw/zinc/18/36/60/607183660.db2.gz BCUREBKCFBNHDY-UHFFFAOYSA-N -1 3 389.759 0.467 20 0 GCADHM CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821956458 607183754 /nfs/dbraw/zinc/18/37/54/607183754.db2.gz PEKHYKTUCKPPMC-VIFPVBQESA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821956458 607183755 /nfs/dbraw/zinc/18/37/55/607183755.db2.gz PEKHYKTUCKPPMC-VIFPVBQESA-N -1 3 384.849 0.689 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[S@](C)=O ZINC000820242227 607184055 /nfs/dbraw/zinc/18/40/55/607184055.db2.gz LYDIBPZJBVKVMZ-NRYVIMAVSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[S@](C)=O ZINC000820242227 607184056 /nfs/dbraw/zinc/18/40/56/607184056.db2.gz LYDIBPZJBVKVMZ-NRYVIMAVSA-N -1 3 384.849 0.732 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000823314589 607184153 /nfs/dbraw/zinc/18/41/53/607184153.db2.gz RGZIQIVQZIDQAA-SNVBAGLBSA-N -1 3 386.803 0.855 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCOC3(CCOCC3)C2)c1-c1nnn[n-]1 ZINC000822315016 607184624 /nfs/dbraw/zinc/18/46/24/607184624.db2.gz XYSXLIUEACLPNJ-UHFFFAOYSA-N -1 3 386.412 0.522 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCOC3(CCOCC3)C2)c1-c1nn[n-]n1 ZINC000822315016 607184625 /nfs/dbraw/zinc/18/46/25/607184625.db2.gz XYSXLIUEACLPNJ-UHFFFAOYSA-N -1 3 386.412 0.522 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000822899605 607186274 /nfs/dbraw/zinc/18/62/74/607186274.db2.gz LVWQIWCQIMOWSF-SWLSCSKDSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000822899605 607186275 /nfs/dbraw/zinc/18/62/75/607186275.db2.gz LVWQIWCQIMOWSF-SWLSCSKDSA-N -1 3 382.428 0.916 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1cc(C(N)=O)[nH]n1 ZINC000821701183 607187827 /nfs/dbraw/zinc/18/78/27/607187827.db2.gz FCVSNCIEQGQTAB-UHFFFAOYSA-N -1 3 386.372 0.495 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1cc(C(N)=O)[nH]n1 ZINC000821701183 607187828 /nfs/dbraw/zinc/18/78/28/607187828.db2.gz FCVSNCIEQGQTAB-UHFFFAOYSA-N -1 3 386.372 0.495 20 0 GCADHM Cn1nc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)ccc1=O ZINC000822705165 607188437 /nfs/dbraw/zinc/18/84/37/607188437.db2.gz XWFCPBGHNUFLIA-UHFFFAOYSA-N -1 3 377.368 0.281 20 0 GCADHM Cn1nc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)ccc1=O ZINC000822705165 607188438 /nfs/dbraw/zinc/18/84/38/607188438.db2.gz XWFCPBGHNUFLIA-UHFFFAOYSA-N -1 3 377.368 0.281 20 0 GCADHM NC(=O)NCCCCC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000822873820 607188554 /nfs/dbraw/zinc/18/85/54/607188554.db2.gz LOFNIHQOHKKILZ-UHFFFAOYSA-N -1 3 383.416 0.712 20 0 GCADHM NC(=O)NCCCCC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000822873820 607188555 /nfs/dbraw/zinc/18/85/55/607188555.db2.gz LOFNIHQOHKKILZ-UHFFFAOYSA-N -1 3 383.416 0.712 20 0 GCADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)NS(C)(=O)=O ZINC000819980951 607202249 /nfs/dbraw/zinc/20/22/49/607202249.db2.gz JQRPZYKAIVDOPG-UHFFFAOYSA-N -1 3 387.853 0.969 20 0 GCADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)NS(C)(=O)=O ZINC000819980951 607202250 /nfs/dbraw/zinc/20/22/50/607202250.db2.gz JQRPZYKAIVDOPG-UHFFFAOYSA-N -1 3 387.853 0.969 20 0 GCADHM CCN1CCN(c2ccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)c(C)c2)CC1 ZINC000821276696 607205641 /nfs/dbraw/zinc/20/56/41/607205641.db2.gz MDCATBMLTZPAKS-UHFFFAOYSA-N -1 3 396.459 0.547 20 0 GCADHM COc1cccc([C@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)N2CCCC2)c1 ZINC000821857753 607205867 /nfs/dbraw/zinc/20/58/67/607205867.db2.gz AGMUKWWPTYWNPF-HNNXBMFYSA-N -1 3 397.443 0.420 20 0 GCADHM CCN1CCN(c2ccccc2NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000821276686 607206489 /nfs/dbraw/zinc/20/64/89/607206489.db2.gz MBOIVJJGJZXTEP-UHFFFAOYSA-N -1 3 382.432 0.239 20 0 GCADHM CC1(C)CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN1Cc1ccccc1 ZINC000820601155 607214122 /nfs/dbraw/zinc/21/41/22/607214122.db2.gz CYBDJTMVDVFVQD-UHFFFAOYSA-N -1 3 381.444 0.581 20 0 GCADHM CC1(C)CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1Cc1ccccc1 ZINC000820601155 607214123 /nfs/dbraw/zinc/21/41/23/607214123.db2.gz CYBDJTMVDVFVQD-UHFFFAOYSA-N -1 3 381.444 0.581 20 0 GCADHM C[C@@H](c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1)N1CCOCC1 ZINC000820563823 607215138 /nfs/dbraw/zinc/21/51/38/607215138.db2.gz VSBAUXDAUBVHOP-LBPRGKRZSA-N -1 3 383.416 0.490 20 0 GCADHM NC(=O)c1cc(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)on1 ZINC000822880587 607216306 /nfs/dbraw/zinc/21/63/06/607216306.db2.gz TYDTWAVNYIVEOU-AWEZNQCLSA-N -1 3 382.384 0.239 20 0 GCADHM CN(C)[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000821579827 607220948 /nfs/dbraw/zinc/22/09/48/607220948.db2.gz PLTWZUGCFPMNAC-LBPRGKRZSA-N -1 3 375.824 0.531 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC000820606793 607223484 /nfs/dbraw/zinc/22/34/84/607223484.db2.gz DMMRZPSBOCZIAZ-SECBINFHSA-N -1 3 380.792 0.726 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC000820606793 607223485 /nfs/dbraw/zinc/22/34/85/607223485.db2.gz DMMRZPSBOCZIAZ-SECBINFHSA-N -1 3 380.792 0.726 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCC(C(=O)NCCCO)CC1 ZINC000823191356 607229106 /nfs/dbraw/zinc/22/91/06/607229106.db2.gz KGROEFCIFRAHLJ-SREVYHEPSA-N -1 3 384.440 0.617 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCC(C(=O)NCCCO)CC1 ZINC000823191356 607229107 /nfs/dbraw/zinc/22/91/07/607229107.db2.gz KGROEFCIFRAHLJ-SREVYHEPSA-N -1 3 384.440 0.617 20 0 GCADHM Cn1c(Cl)ncc1S(=O)(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822604280 607229865 /nfs/dbraw/zinc/22/98/65/607229865.db2.gz BJATUGFVLAOBAN-UHFFFAOYSA-N -1 3 383.821 0.611 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000820541425 607235057 /nfs/dbraw/zinc/23/50/57/607235057.db2.gz FPNOPYMNIQSYDT-NEPJUHHUSA-N -1 3 394.457 0.304 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000820541425 607235058 /nfs/dbraw/zinc/23/50/58/607235058.db2.gz FPNOPYMNIQSYDT-NEPJUHHUSA-N -1 3 394.457 0.304 20 0 GCADHM CCOC(=O)c1nnc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821347565 607239857 /nfs/dbraw/zinc/23/98/57/607239857.db2.gz YEZSSNPSEIUHNJ-UHFFFAOYSA-N -1 3 375.370 0.912 20 0 GCADHM CCCn1c(CO)nnc1SC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821142270 607252003 /nfs/dbraw/zinc/25/20/03/607252003.db2.gz FWJLRODWGBZTLT-LBPRGKRZSA-N -1 3 391.457 0.893 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCOC)cc1-c1nnn[n-]1 ZINC000825523153 607773140 /nfs/dbraw/zinc/77/31/40/607773140.db2.gz NHTVLZBPCNKBOX-UHFFFAOYSA-N -1 3 391.388 0.478 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCOC)cc1-c1nn[n-]n1 ZINC000825523153 607773141 /nfs/dbraw/zinc/77/31/41/607773141.db2.gz NHTVLZBPCNKBOX-UHFFFAOYSA-N -1 3 391.388 0.478 20 0 GCADHM CC(C)(O)CNC(=O)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824171499 607773347 /nfs/dbraw/zinc/77/33/47/607773347.db2.gz AOUBJRGABGIORY-UHFFFAOYSA-N -1 3 387.425 0.816 20 0 GCADHM CC(C)(O)CNC(=O)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824171499 607773348 /nfs/dbraw/zinc/77/33/48/607773348.db2.gz AOUBJRGABGIORY-UHFFFAOYSA-N -1 3 387.425 0.816 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](Cn3ccnn3)C2)cccc1-c1nnn[n-]1 ZINC000826240631 607774585 /nfs/dbraw/zinc/77/45/85/607774585.db2.gz BSGQGCGHUSQJNZ-ZDUSSCGKSA-N -1 3 395.427 0.644 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](Cn3ccnn3)C2)cccc1-c1nn[n-]n1 ZINC000826240631 607774586 /nfs/dbraw/zinc/77/45/86/607774586.db2.gz BSGQGCGHUSQJNZ-ZDUSSCGKSA-N -1 3 395.427 0.644 20 0 GCADHM O=C(Nc1ccccc1Oc1ncccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCOC1 ZINC000826457749 607776087 /nfs/dbraw/zinc/77/60/87/607776087.db2.gz OLIFAGLCDANGJF-LLVKDONJSA-N -1 3 395.379 0.898 20 0 GCADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(=O)N[C@@H]1CCOC1 ZINC000826455292 607776235 /nfs/dbraw/zinc/77/62/35/607776235.db2.gz IBOSSIOTLZIJJM-CYBMUJFWSA-N -1 3 395.379 0.898 20 0 GCADHM NC(=O)c1cc(CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)on1 ZINC000826392975 607782657 /nfs/dbraw/zinc/78/26/57/607782657.db2.gz VYMXEEHJYPJYPT-UHFFFAOYSA-N -1 3 382.384 0.828 20 0 GCADHM NC(=O)c1cc(CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)on1 ZINC000826392975 607782658 /nfs/dbraw/zinc/78/26/58/607782658.db2.gz VYMXEEHJYPJYPT-UHFFFAOYSA-N -1 3 382.384 0.828 20 0 GCADHM CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1-c1nnn[n-]1 ZINC000825544820 607784527 /nfs/dbraw/zinc/78/45/27/607784527.db2.gz GGQDFKVMIJDBDW-VIFPVBQESA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)N2CCNC2=O)cc1-c1nn[n-]n1 ZINC000825544820 607784528 /nfs/dbraw/zinc/78/45/28/607784528.db2.gz GGQDFKVMIJDBDW-VIFPVBQESA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(N[C@H](C)C(=O)NC(=O)NC)cc1-c1nnn[n-]1 ZINC000825544599 607784690 /nfs/dbraw/zinc/78/46/90/607784690.db2.gz FGBLICDYDFMRGN-MRVPVSSYSA-N -1 3 376.377 0.691 20 0 GCADHM CCOC(=O)Nc1ccc(N[C@H](C)C(=O)NC(=O)NC)cc1-c1nn[n-]n1 ZINC000825544599 607784691 /nfs/dbraw/zinc/78/46/91/607784691.db2.gz FGBLICDYDFMRGN-MRVPVSSYSA-N -1 3 376.377 0.691 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccccc2-c2nnn[n-]2)C1 ZINC000825663510 607789783 /nfs/dbraw/zinc/78/97/83/607789783.db2.gz QPTPSKZUJOOYJL-LBPRGKRZSA-N -1 3 378.458 0.891 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccccc2-c2nn[n-]n2)C1 ZINC000825663510 607789784 /nfs/dbraw/zinc/78/97/84/607789784.db2.gz QPTPSKZUJOOYJL-LBPRGKRZSA-N -1 3 378.458 0.891 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824500354 607792959 /nfs/dbraw/zinc/79/29/59/607792959.db2.gz VQHDFWAGGQIOIC-NWDGAFQWSA-N -1 3 393.473 0.508 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824500354 607792960 /nfs/dbraw/zinc/79/29/60/607792960.db2.gz VQHDFWAGGQIOIC-NWDGAFQWSA-N -1 3 393.473 0.508 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498397 607793858 /nfs/dbraw/zinc/79/38/58/607793858.db2.gz GOBJQXBSMKWZKW-NWDGAFQWSA-N -1 3 393.473 0.508 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498397 607793859 /nfs/dbraw/zinc/79/38/59/607793859.db2.gz GOBJQXBSMKWZKW-NWDGAFQWSA-N -1 3 393.473 0.508 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826223481 607794099 /nfs/dbraw/zinc/79/40/99/607794099.db2.gz NYOHCZPLKLXHQJ-JTQLQIEISA-N -1 3 397.436 0.087 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826223481 607794100 /nfs/dbraw/zinc/79/41/00/607794100.db2.gz NYOHCZPLKLXHQJ-JTQLQIEISA-N -1 3 397.436 0.087 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000824738568 607794384 /nfs/dbraw/zinc/79/43/84/607794384.db2.gz QINHFRQDJQSYKF-VXGBXAGGSA-N -1 3 394.457 0.032 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000824738565 607794436 /nfs/dbraw/zinc/79/44/36/607794436.db2.gz QINHFRQDJQSYKF-NEPJUHHUSA-N -1 3 394.457 0.032 20 0 GCADHM CCN(CCS(C)(=O)=O)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825424743 607801393 /nfs/dbraw/zinc/80/13/93/607801393.db2.gz PHXXDAHDJUTPNZ-UHFFFAOYSA-N -1 3 377.430 0.783 20 0 GCADHM CCN(CCS(C)(=O)=O)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825424743 607801394 /nfs/dbraw/zinc/80/13/94/607801394.db2.gz PHXXDAHDJUTPNZ-UHFFFAOYSA-N -1 3 377.430 0.783 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000824745914 607801808 /nfs/dbraw/zinc/80/18/08/607801808.db2.gz UEMXVUSFIHUGPR-LBPRGKRZSA-N -1 3 381.458 0.916 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000824745914 607801807 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384.183 0.455 20 0 GCADHM O=C(NCCCN1C(=O)CNC1=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826437184 607834757 /nfs/dbraw/zinc/83/47/57/607834757.db2.gz ZREVFAXIVFKJQC-UHFFFAOYSA-N -1 3 398.210 0.845 20 0 GCADHM O=C(NCCCN1C(=O)CNC1=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826437184 607834758 /nfs/dbraw/zinc/83/47/58/607834758.db2.gz ZREVFAXIVFKJQC-UHFFFAOYSA-N -1 3 398.210 0.845 20 0 GCADHM CCn1nc(C)c(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1C ZINC000825807950 607835694 /nfs/dbraw/zinc/83/56/94/607835694.db2.gz YLMDXFRMVPNFGW-UHFFFAOYSA-N -1 3 398.431 0.262 20 0 GCADHM CCn1nc(C)c(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1C ZINC000825807950 607835695 /nfs/dbraw/zinc/83/56/95/607835695.db2.gz YLMDXFRMVPNFGW-UHFFFAOYSA-N -1 3 398.431 0.262 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826185028 607835756 /nfs/dbraw/zinc/83/57/56/607835756.db2.gz WCRVSODNXBKFIU-DFBGVHRSSA-N -1 3 398.423 0.888 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826185028 607835757 /nfs/dbraw/zinc/83/57/57/607835757.db2.gz WCRVSODNXBKFIU-DFBGVHRSSA-N -1 3 398.423 0.888 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826185030 607835759 /nfs/dbraw/zinc/83/57/59/607835759.db2.gz WCRVSODNXBKFIU-KCPJHIHWSA-N -1 3 398.423 0.888 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826185030 607835760 /nfs/dbraw/zinc/83/57/60/607835760.db2.gz WCRVSODNXBKFIU-KCPJHIHWSA-N -1 3 398.423 0.888 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)S(C)(=O)=O ZINC000824420679 607836542 /nfs/dbraw/zinc/83/65/42/607836542.db2.gz NWBRITANKFIZFB-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)S(C)(=O)=O ZINC000824420679 607836543 /nfs/dbraw/zinc/83/65/43/607836543.db2.gz NWBRITANKFIZFB-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM CC[C@@H](CCOC)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825114178 607836586 /nfs/dbraw/zinc/83/65/86/607836586.db2.gz KTDCSAATOPYJJX-AAEUAGOBSA-N -1 3 397.457 0.892 20 0 GCADHM CC[C@@H](CCOC)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825114178 607836587 /nfs/dbraw/zinc/83/65/87/607836587.db2.gz KTDCSAATOPYJJX-AAEUAGOBSA-N -1 3 397.457 0.892 20 0 GCADHM CC[C@H](CCOC)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825114180 607836849 /nfs/dbraw/zinc/83/68/49/607836849.db2.gz KTDCSAATOPYJJX-DGCLKSJQSA-N -1 3 397.457 0.892 20 0 GCADHM CC[C@H](CCOC)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825114180 607836850 /nfs/dbraw/zinc/83/68/50/607836850.db2.gz KTDCSAATOPYJJX-DGCLKSJQSA-N -1 3 397.457 0.892 20 0 GCADHM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3cnccc3-c3nnn[n-]3)CC2)C1 ZINC000824875323 607838810 /nfs/dbraw/zinc/83/88/10/607838810.db2.gz LKGSKAMWKLNWSB-HUUCEWRRSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3cnccc3-c3nn[n-]n3)CC2)C1 ZINC000824875323 607838811 /nfs/dbraw/zinc/83/88/11/607838811.db2.gz LKGSKAMWKLNWSB-HUUCEWRRSA-N -1 3 384.488 0.888 20 0 GCADHM CN(CN1C(=O)NC2(CCOCC2)C1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825950993 607848282 /nfs/dbraw/zinc/84/82/82/607848282.db2.gz ZMKOZKSUWMZRNT-UHFFFAOYSA-N -1 3 375.364 0.501 20 0 GCADHM COC[C@]1(C)NC(=O)N(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)C1=O ZINC000826152524 607848898 /nfs/dbraw/zinc/84/88/98/607848898.db2.gz CKPIPCKMFQCQEN-HNNXBMFYSA-N -1 3 379.808 0.871 20 0 GCADHM COC[C@]1(C)NC(=O)N(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)C1=O ZINC000826152524 607848899 /nfs/dbraw/zinc/84/88/99/607848899.db2.gz CKPIPCKMFQCQEN-HNNXBMFYSA-N -1 3 379.808 0.871 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000823972458 607851544 /nfs/dbraw/zinc/85/15/44/607851544.db2.gz BPLUPPNRKHSWTQ-NSHDSACASA-N -1 3 382.421 0.495 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)[C@@H]2C1 ZINC000826145353 607852738 /nfs/dbraw/zinc/85/27/38/607852738.db2.gz FJRCQXMETZKJMZ-BPLDGKMQSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)[C@@H]2C1 ZINC000826145353 607852739 /nfs/dbraw/zinc/85/27/39/607852739.db2.gz FJRCQXMETZKJMZ-BPLDGKMQSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)[C@@H]2C1 ZINC000826145356 607852742 /nfs/dbraw/zinc/85/27/42/607852742.db2.gz FJRCQXMETZKJMZ-YUELXQCFSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)[C@@H]2C1 ZINC000826145356 607852743 /nfs/dbraw/zinc/85/27/43/607852743.db2.gz FJRCQXMETZKJMZ-YUELXQCFSA-N -1 3 379.442 0.824 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000823973078 607852799 /nfs/dbraw/zinc/85/27/99/607852799.db2.gz HUAZONXGEFPOKA-LLVKDONJSA-N -1 3 382.421 0.495 20 0 GCADHM CN(C)c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000825879032 607853660 /nfs/dbraw/zinc/85/36/60/607853660.db2.gz GAKLZTOAWGZFIC-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CN(C)c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000825879032 607853661 /nfs/dbraw/zinc/85/36/61/607853661.db2.gz GAKLZTOAWGZFIC-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000823973849 607854197 /nfs/dbraw/zinc/85/41/97/607854197.db2.gz LNVFQRYEYYIIID-AWEZNQCLSA-N -1 3 387.444 0.755 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000823972586 607857838 /nfs/dbraw/zinc/85/78/38/607857838.db2.gz CPHDTSWGHAGHSB-ZDUSSCGKSA-N -1 3 375.433 0.815 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@H](CO)CC1CC1 ZINC000826451791 607860065 /nfs/dbraw/zinc/86/00/65/607860065.db2.gz WPTFJDWWKJJSEQ-JTQLQIEISA-N -1 3 396.354 0.684 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@H](CO)CC1CC1 ZINC000826451791 607860066 /nfs/dbraw/zinc/86/00/66/607860066.db2.gz WPTFJDWWKJJSEQ-JTQLQIEISA-N -1 3 396.354 0.684 20 0 GCADHM CN(C)c1cccc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000825879203 607860736 /nfs/dbraw/zinc/86/07/36/607860736.db2.gz JGUWLCHHPFDWRY-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM CN(C)c1cccc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000825879203 607860737 /nfs/dbraw/zinc/86/07/37/607860737.db2.gz JGUWLCHHPFDWRY-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825909229 607863005 /nfs/dbraw/zinc/86/30/05/607863005.db2.gz UNCIMZJLRFSYNN-IUODEOHRSA-N -1 3 382.428 0.868 20 0 GCADHM CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825909229 607863006 /nfs/dbraw/zinc/86/30/06/607863006.db2.gz UNCIMZJLRFSYNN-IUODEOHRSA-N -1 3 382.428 0.868 20 0 GCADHM NC(=O)COc1cccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826391614 607877598 /nfs/dbraw/zinc/87/75/98/607877598.db2.gz TWLYZRUMIQYIOH-CYBMUJFWSA-N -1 3 385.380 0.550 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825176438 607879707 /nfs/dbraw/zinc/87/97/07/607879707.db2.gz SZEWREHDNREJTR-KSSFIOAISA-N -1 3 396.411 0.491 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825176438 607879708 /nfs/dbraw/zinc/87/97/08/607879708.db2.gz SZEWREHDNREJTR-KSSFIOAISA-N -1 3 396.411 0.491 20 0 GCADHM Cc1ccnc(CS(=O)(=O)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826308609 607880722 /nfs/dbraw/zinc/88/07/22/607880722.db2.gz HQLPEPRTAXKBPE-ZDUSSCGKSA-N -1 3 390.425 0.320 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)co1 ZINC000825972011 607881386 /nfs/dbraw/zinc/88/13/86/607881386.db2.gz RHHIKZMSNVFSEZ-UHFFFAOYSA-N -1 3 390.425 0.982 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)co1 ZINC000825972011 607881387 /nfs/dbraw/zinc/88/13/87/607881387.db2.gz RHHIKZMSNVFSEZ-UHFFFAOYSA-N -1 3 390.425 0.982 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN(C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825176408 607889193 /nfs/dbraw/zinc/88/91/93/607889193.db2.gz SCEMHKQGMLVGGX-SFHVURJKSA-N -1 3 395.427 0.851 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CCOc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825176232 607893230 /nfs/dbraw/zinc/89/32/30/607893230.db2.gz LHSQLBOCGJESRF-SFHVURJKSA-N -1 3 396.411 0.836 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(CCOc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825176157 607893911 /nfs/dbraw/zinc/89/39/11/607893911.db2.gz IIXXCTGMJYEVSK-GOSISDBHSA-N -1 3 396.411 0.836 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(CCOc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825176157 607893912 /nfs/dbraw/zinc/89/39/12/607893912.db2.gz IIXXCTGMJYEVSK-GOSISDBHSA-N -1 3 396.411 0.836 20 0 GCADHM NS(=O)(=O)[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000826394542 607899516 /nfs/dbraw/zinc/89/95/16/607899516.db2.gz OEJAPAOUPQIGQU-MRVPVSSYSA-N -1 3 381.368 0.560 20 0 GCADHM NS(=O)(=O)[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000826394542 607899517 /nfs/dbraw/zinc/89/95/17/607899517.db2.gz OEJAPAOUPQIGQU-MRVPVSSYSA-N -1 3 381.368 0.560 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825210894 607907068 /nfs/dbraw/zinc/90/70/68/607907068.db2.gz JZQSESOIEGUJBS-XHDPSFHLSA-N -1 3 396.448 0.931 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825210894 607907069 /nfs/dbraw/zinc/90/70/69/607907069.db2.gz JZQSESOIEGUJBS-XHDPSFHLSA-N -1 3 396.448 0.931 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825210627 607907178 /nfs/dbraw/zinc/90/71/78/607907178.db2.gz IPMRZQBDGZNGRJ-SWLSCSKDSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825210627 607907179 /nfs/dbraw/zinc/90/71/79/607907179.db2.gz IPMRZQBDGZNGRJ-SWLSCSKDSA-N -1 3 378.458 0.792 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC1CCS(=O)(=O)CC1 ZINC000826279782 607907945 /nfs/dbraw/zinc/90/79/45/607907945.db2.gz BXFNMEROPFLJOX-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC1CCS(=O)(=O)CC1 ZINC000826279782 607907946 /nfs/dbraw/zinc/90/79/46/607907946.db2.gz BXFNMEROPFLJOX-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000824635159 607912423 /nfs/dbraw/zinc/91/24/23/607912423.db2.gz ZDJNTZOHGHXSNU-MNOVXSKESA-N -1 3 378.458 0.838 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000824635159 607912424 /nfs/dbraw/zinc/91/24/24/607912424.db2.gz ZDJNTZOHGHXSNU-MNOVXSKESA-N -1 3 378.458 0.838 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000824178205 607912640 /nfs/dbraw/zinc/91/26/40/607912640.db2.gz OCQONICTPOAUHC-UHFFFAOYSA-N -1 3 375.437 0.135 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000824178205 607912641 /nfs/dbraw/zinc/91/26/41/607912641.db2.gz OCQONICTPOAUHC-UHFFFAOYSA-N -1 3 375.437 0.135 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000825957830 607913760 /nfs/dbraw/zinc/91/37/60/607913760.db2.gz HTOMIXUQBMIRQE-UHFFFAOYSA-N -1 3 378.458 0.833 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000825957830 607913761 /nfs/dbraw/zinc/91/37/61/607913761.db2.gz HTOMIXUQBMIRQE-UHFFFAOYSA-N -1 3 378.458 0.833 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823980988 607914772 /nfs/dbraw/zinc/91/47/72/607914772.db2.gz IIZWZWKHWRJRHI-OAHLLOKOSA-N -1 3 386.412 0.427 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823980988 607914773 /nfs/dbraw/zinc/91/47/73/607914773.db2.gz IIZWZWKHWRJRHI-OAHLLOKOSA-N -1 3 386.412 0.427 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826160307 607915317 /nfs/dbraw/zinc/91/53/17/607915317.db2.gz NGHWAJRJAZMMKU-AWEZNQCLSA-N -1 3 390.444 0.539 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826160307 607915318 /nfs/dbraw/zinc/91/53/18/607915318.db2.gz NGHWAJRJAZMMKU-AWEZNQCLSA-N -1 3 390.444 0.539 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cccc(-n2ccnn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389410 607916837 /nfs/dbraw/zinc/91/68/37/607916837.db2.gz XIWFGRTTWRWZJU-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cccc(-n2ccnn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389410 607916838 /nfs/dbraw/zinc/91/68/38/607916838.db2.gz XIWFGRTTWRWZJU-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@H]1CCSC1 ZINC000824640367 607918746 /nfs/dbraw/zinc/91/87/46/607918746.db2.gz HJBYGWBQEDECDQ-JQWIXIFHSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@H]1CCSC1 ZINC000824640367 607918747 /nfs/dbraw/zinc/91/87/47/607918747.db2.gz HJBYGWBQEDECDQ-JQWIXIFHSA-N -1 3 396.498 0.497 20 0 GCADHM CCN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000825434501 607924153 /nfs/dbraw/zinc/92/41/53/607924153.db2.gz ADKCZYPAAPILKE-LBPRGKRZSA-N -1 3 379.442 0.662 20 0 GCADHM CCN(Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000825434501 607924154 /nfs/dbraw/zinc/92/41/54/607924154.db2.gz ADKCZYPAAPILKE-LBPRGKRZSA-N -1 3 379.442 0.662 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823981399 607924950 /nfs/dbraw/zinc/92/49/50/607924950.db2.gz NMXDCUAAOHAEPP-KRWDZBQOSA-N -1 3 383.456 0.916 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823981399 607924951 /nfs/dbraw/zinc/92/49/51/607924951.db2.gz NMXDCUAAOHAEPP-KRWDZBQOSA-N -1 3 383.456 0.916 20 0 GCADHM CS(=O)(=O)CC1(COC(=O)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000826222335 607926862 /nfs/dbraw/zinc/92/68/62/607926862.db2.gz SUDAHODSYNKTNQ-UHFFFAOYSA-N -1 3 380.426 0.865 20 0 GCADHM CS(=O)(=O)CC1(COC(=O)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000826222335 607926863 /nfs/dbraw/zinc/92/68/63/607926863.db2.gz SUDAHODSYNKTNQ-UHFFFAOYSA-N -1 3 380.426 0.865 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826160493 607927309 /nfs/dbraw/zinc/92/73/09/607927309.db2.gz UIGUFRKJPZGGFT-HNNXBMFYSA-N -1 3 389.460 0.843 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826160493 607927310 /nfs/dbraw/zinc/92/73/10/607927310.db2.gz UIGUFRKJPZGGFT-HNNXBMFYSA-N -1 3 389.460 0.843 20 0 GCADHM O=C(NCCc1cnc(C2CC2)nc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826440059 607928888 /nfs/dbraw/zinc/92/88/88/607928888.db2.gz WSORKODHKQSUTI-UHFFFAOYSA-N -1 3 378.396 0.832 20 0 GCADHM O=C(NCCc1cnc(C2CC2)nc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826440059 607928889 /nfs/dbraw/zinc/92/88/89/607928889.db2.gz WSORKODHKQSUTI-UHFFFAOYSA-N -1 3 378.396 0.832 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826354979 607931155 /nfs/dbraw/zinc/93/11/55/607931155.db2.gz FANCHWFHDLMAOL-UHFFFAOYSA-N -1 3 379.424 0.523 20 0 GCADHM O=C([C@H]1CCc2n[nH]cc2C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826398732 607931563 /nfs/dbraw/zinc/93/15/63/607931563.db2.gz DRTOIFDSMSMQFU-ZDUSSCGKSA-N -1 3 379.428 0.439 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1cncc(N2CCOCC2)c1 ZINC000826438138 607933036 /nfs/dbraw/zinc/93/30/36/607933036.db2.gz OOBGHQTUTHEXAV-UHFFFAOYSA-N -1 3 395.427 0.335 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cncc(N2CCOCC2)c1 ZINC000826438138 607933037 /nfs/dbraw/zinc/93/30/37/607933037.db2.gz OOBGHQTUTHEXAV-UHFFFAOYSA-N -1 3 395.427 0.335 20 0 GCADHM O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826496114 607933816 /nfs/dbraw/zinc/93/38/16/607933816.db2.gz LICJHCCCXHOXFW-CYBMUJFWSA-N -1 3 387.425 0.776 20 0 GCADHM O=S(=O)(c1cnn([C@@H]2CCOC2)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826496114 607933817 /nfs/dbraw/zinc/93/38/17/607933817.db2.gz LICJHCCCXHOXFW-CYBMUJFWSA-N -1 3 387.425 0.776 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1ccc(C(=O)NC2CC2)cc1 ZINC000826438357 607934407 /nfs/dbraw/zinc/93/44/07/607934407.db2.gz ZGKKDIGSULGASP-UHFFFAOYSA-N -1 3 392.423 0.996 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1ccc(C(=O)NC2CC2)cc1 ZINC000826438357 607934408 /nfs/dbraw/zinc/93/44/08/607934408.db2.gz ZGKKDIGSULGASP-UHFFFAOYSA-N -1 3 392.423 0.996 20 0 GCADHM O=C([C@@H]1CCc2n[nH]cc2C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826398644 607934670 /nfs/dbraw/zinc/93/46/70/607934670.db2.gz BALBSAYNGATZHG-GFCCVEGCSA-N -1 3 379.428 0.439 20 0 GCADHM Cc1cc(CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ncn1 ZINC000826267073 607940025 /nfs/dbraw/zinc/94/00/25/607940025.db2.gz OMWAUTAQGCXPAQ-UHFFFAOYSA-N -1 3 380.416 0.392 20 0 GCADHM Cc1cc(CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ncn1 ZINC000826267073 607940026 /nfs/dbraw/zinc/94/00/26/607940026.db2.gz OMWAUTAQGCXPAQ-UHFFFAOYSA-N -1 3 380.416 0.392 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000826359109 607944426 /nfs/dbraw/zinc/94/44/26/607944426.db2.gz WBVUFDKTWQEQPS-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000826359109 607944427 /nfs/dbraw/zinc/94/44/27/607944427.db2.gz WBVUFDKTWQEQPS-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N1CCC(OCCO)CC1 ZINC000826453349 607945223 /nfs/dbraw/zinc/94/52/23/607945223.db2.gz IDYXIFISMDKLKS-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N1CCC(OCCO)CC1 ZINC000826453349 607945224 /nfs/dbraw/zinc/94/52/24/607945224.db2.gz IDYXIFISMDKLKS-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM COc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)ccc1OCC(N)=O ZINC000826176717 607945467 /nfs/dbraw/zinc/94/54/67/607945467.db2.gz AINUACGNWJYLCC-UHFFFAOYSA-N -1 3 394.391 0.942 20 0 GCADHM COc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)ccc1OCC(N)=O ZINC000826176717 607945468 /nfs/dbraw/zinc/94/54/68/607945468.db2.gz AINUACGNWJYLCC-UHFFFAOYSA-N -1 3 394.391 0.942 20 0 GCADHM C[C@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)S(=O)(=O)C1CCOCC1 ZINC000824038884 607947634 /nfs/dbraw/zinc/94/76/34/607947634.db2.gz AAXCNAAKKNZNBY-LLVKDONJSA-N -1 3 391.453 0.738 20 0 GCADHM C[C@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)S(=O)(=O)C1CCOCC1 ZINC000824038884 607947635 /nfs/dbraw/zinc/94/76/35/607947635.db2.gz AAXCNAAKKNZNBY-LLVKDONJSA-N -1 3 391.453 0.738 20 0 GCADHM CNS(=O)(=O)c1cccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826089918 607949843 /nfs/dbraw/zinc/94/98/43/607949843.db2.gz AIISGLSUXBVJDT-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM CNS(=O)(=O)c1cccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826089918 607949844 /nfs/dbraw/zinc/94/98/44/607949844.db2.gz AIISGLSUXBVJDT-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM CC(C)[C@@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)N1CCCS1(=O)=O ZINC000824185126 607949964 /nfs/dbraw/zinc/94/99/64/607949964.db2.gz ROGDDWBWAYFCEP-HNNXBMFYSA-N -1 3 390.469 0.816 20 0 GCADHM CC(C)[C@@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)N1CCCS1(=O)=O ZINC000824185126 607949965 /nfs/dbraw/zinc/94/99/65/607949965.db2.gz ROGDDWBWAYFCEP-HNNXBMFYSA-N -1 3 390.469 0.816 20 0 GCADHM O=C(CSCC(=O)N1CCOCC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826419763 607950123 /nfs/dbraw/zinc/95/01/23/607950123.db2.gz KYDHVTXECNTRSR-UHFFFAOYSA-N -1 3 388.453 0.348 20 0 GCADHM O=C(CSCC(=O)N1CCOCC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826419763 607950124 /nfs/dbraw/zinc/95/01/24/607950124.db2.gz KYDHVTXECNTRSR-UHFFFAOYSA-N -1 3 388.453 0.348 20 0 GCADHM O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826420135 607950429 /nfs/dbraw/zinc/95/04/29/607950429.db2.gz ZWAXLRRCBRNJOB-GFCCVEGCSA-N -1 3 379.467 0.676 20 0 GCADHM O=C(CS[C@@H]1CCS(=O)(=O)C1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826420135 607950430 /nfs/dbraw/zinc/95/04/30/607950430.db2.gz ZWAXLRRCBRNJOB-GFCCVEGCSA-N -1 3 379.467 0.676 20 0 GCADHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826424221 607951146 /nfs/dbraw/zinc/95/11/46/607951146.db2.gz BDMKGMYKZASZON-UHFFFAOYSA-N -1 3 389.375 0.872 20 0 GCADHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826424221 607951147 /nfs/dbraw/zinc/95/11/47/607951147.db2.gz BDMKGMYKZASZON-UHFFFAOYSA-N -1 3 389.375 0.872 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN([C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1C ZINC000826342097 607957703 /nfs/dbraw/zinc/95/77/03/607957703.db2.gz YALORFKDMJBINN-TZMCWYRMSA-N -1 3 389.460 0.810 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN([C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1C ZINC000826342097 607957704 /nfs/dbraw/zinc/95/77/04/607957704.db2.gz YALORFKDMJBINN-TZMCWYRMSA-N -1 3 389.460 0.810 20 0 GCADHM C[C@H](OC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000824714533 607959126 /nfs/dbraw/zinc/95/91/26/607959126.db2.gz NSZVHHIPBFWSOS-NSHDSACASA-N -1 3 388.409 0.844 20 0 GCADHM C[C@H](OC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000824714533 607959127 /nfs/dbraw/zinc/95/91/27/607959127.db2.gz NSZVHHIPBFWSOS-NSHDSACASA-N -1 3 388.409 0.844 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cncc(I)c1 ZINC000826395790 607961354 /nfs/dbraw/zinc/96/13/54/607961354.db2.gz SNDLTBYLVMSVGG-UHFFFAOYSA-N -1 3 382.125 0.334 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826419496 607963684 /nfs/dbraw/zinc/96/36/84/607963684.db2.gz ZVDJSBTVTWTGDX-GDBMZVCRSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826419496 607963685 /nfs/dbraw/zinc/96/36/85/607963685.db2.gz ZVDJSBTVTWTGDX-GDBMZVCRSA-N -1 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ZINC000826362469 608074897 /nfs/dbraw/zinc/07/48/97/608074897.db2.gz UFXXKXORMVXKGV-AWEZNQCLSA-N -1 3 382.384 0.139 20 0 GCADHM C[C@H]1CC[C@H](COC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000824908170 608076347 /nfs/dbraw/zinc/07/63/47/608076347.db2.gz MYCNFKKYNAEGCB-SMDDNHRTSA-N -1 3 380.426 0.892 20 0 GCADHM C[C@H]1CC[C@H](COC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000824908170 608076348 /nfs/dbraw/zinc/07/63/48/608076348.db2.gz MYCNFKKYNAEGCB-SMDDNHRTSA-N -1 3 380.426 0.892 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CC[C@@H](C)O1 ZINC000824906185 608076666 /nfs/dbraw/zinc/07/66/66/608076666.db2.gz AXKRRAPXZRIUSX-WZRBSPASSA-N -1 3 395.441 0.644 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CC[C@@H](C)O1 ZINC000824906185 608076667 /nfs/dbraw/zinc/07/66/67/608076667.db2.gz AXKRRAPXZRIUSX-WZRBSPASSA-N -1 3 395.441 0.644 20 0 GCADHM CC(C)(NS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824166825 608082375 /nfs/dbraw/zinc/08/23/75/608082375.db2.gz KXLPMEVUPFHGBE-CYBMUJFWSA-N -1 3 394.457 0.094 20 0 GCADHM CC(C)(NS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824166825 608082376 /nfs/dbraw/zinc/08/23/76/608082376.db2.gz KXLPMEVUPFHGBE-CYBMUJFWSA-N -1 3 394.457 0.094 20 0 GCADHM Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826271684 608084890 /nfs/dbraw/zinc/08/48/90/608084890.db2.gz CGROCKIHKUEMKR-MRXNPFEDSA-N -1 3 396.407 0.643 20 0 GCADHM Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826271684 608084891 /nfs/dbraw/zinc/08/48/91/608084891.db2.gz CGROCKIHKUEMKR-MRXNPFEDSA-N -1 3 396.407 0.643 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824448226 608086807 /nfs/dbraw/zinc/08/68/07/608086807.db2.gz HLUBHGZKCTYVOS-BXUZGUMPSA-N -1 3 379.442 0.447 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824448226 608086808 /nfs/dbraw/zinc/08/68/08/608086808.db2.gz HLUBHGZKCTYVOS-BXUZGUMPSA-N -1 3 379.442 0.447 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC000824706938 608089980 /nfs/dbraw/zinc/08/99/80/608089980.db2.gz MEWKGXRAZNSACZ-ABAIWWIYSA-N -1 3 384.400 0.112 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC000824706938 608089981 /nfs/dbraw/zinc/08/99/81/608089981.db2.gz MEWKGXRAZNSACZ-ABAIWWIYSA-N -1 3 384.400 0.112 20 0 GCADHM C[C@H](O)c1cn(CC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC000824706940 608090046 /nfs/dbraw/zinc/09/00/46/608090046.db2.gz MEWKGXRAZNSACZ-NHYWBVRUSA-N -1 3 384.400 0.112 20 0 GCADHM C[C@H](O)c1cn(CC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC000824706940 608090047 /nfs/dbraw/zinc/09/00/47/608090047.db2.gz MEWKGXRAZNSACZ-NHYWBVRUSA-N -1 3 384.400 0.112 20 0 GCADHM C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824715915 608103138 /nfs/dbraw/zinc/10/31/38/608103138.db2.gz VBHAWVZMZXIWMV-VHSXEESVSA-N -1 3 379.398 0.172 20 0 GCADHM C[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824715915 608103139 /nfs/dbraw/zinc/10/31/39/608103139.db2.gz VBHAWVZMZXIWMV-VHSXEESVSA-N -1 3 379.398 0.172 20 0 GCADHM NC(=O)N[C@H]1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826392032 608103619 /nfs/dbraw/zinc/10/36/19/608103619.db2.gz LLDYVLNLDHCRQQ-ZDUSSCGKSA-N -1 3 397.395 0.922 20 0 GCADHM NC(=O)N[C@H]1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826392032 608103620 /nfs/dbraw/zinc/10/36/20/608103620.db2.gz LLDYVLNLDHCRQQ-ZDUSSCGKSA-N -1 3 397.395 0.922 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCCNC(=O)NC1CCCCC1 ZINC000826417039 608107415 /nfs/dbraw/zinc/10/74/15/608107415.db2.gz BIAFWFVDHLNKCO-UHFFFAOYSA-N -1 3 387.444 0.994 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)CCN12 ZINC000799795731 608111314 /nfs/dbraw/zinc/11/13/14/608111314.db2.gz GSCVVTGDNJWGNJ-VIFPVBQESA-N -1 3 398.832 0.735 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)CCN12 ZINC000799795731 608111315 /nfs/dbraw/zinc/11/13/15/608111315.db2.gz GSCVVTGDNJWGNJ-VIFPVBQESA-N -1 3 398.832 0.735 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826255908 608111590 /nfs/dbraw/zinc/11/15/90/608111590.db2.gz OFTHOWUYNILEHP-LBPRGKRZSA-N -1 3 378.414 0.390 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826255908 608111591 /nfs/dbraw/zinc/11/15/91/608111591.db2.gz OFTHOWUYNILEHP-LBPRGKRZSA-N -1 3 378.414 0.390 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000826279175 608111772 /nfs/dbraw/zinc/11/17/72/608111772.db2.gz IBVOWAOVBCSOBJ-UONOGXRCSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000826279175 608111773 /nfs/dbraw/zinc/11/17/73/608111773.db2.gz IBVOWAOVBCSOBJ-UONOGXRCSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000826279060 608111794 /nfs/dbraw/zinc/11/17/94/608111794.db2.gz DOLLKRIRKZJIHN-UHFFFAOYSA-N -1 3 387.487 0.619 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000826279060 608111795 /nfs/dbraw/zinc/11/17/95/608111795.db2.gz DOLLKRIRKZJIHN-UHFFFAOYSA-N -1 3 387.487 0.619 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nnn[n-]3)CCN12 ZINC000826483181 608111895 /nfs/dbraw/zinc/11/18/95/608111895.db2.gz DLXRMUUIEKVJIT-JTQLQIEISA-N -1 3 398.832 0.735 20 0 GCADHM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CN1 ZINC000826478829 608111982 /nfs/dbraw/zinc/11/19/82/608111982.db2.gz KHFMIYJCOFCRML-QMTHXVAHSA-N -1 3 394.432 0.685 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CN1Cc1ccccc1 ZINC000826481090 608112093 /nfs/dbraw/zinc/11/20/93/608112093.db2.gz HILLQBRHQQFLSH-UHFFFAOYSA-N -1 3 398.448 0.998 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CN1Cc1ccccc1 ZINC000826481090 608112094 /nfs/dbraw/zinc/11/20/94/608112094.db2.gz HILLQBRHQQFLSH-UHFFFAOYSA-N -1 3 398.448 0.998 20 0 GCADHM CS(=O)(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)Cc2ccccc21 ZINC000826223318 608112325 /nfs/dbraw/zinc/11/23/25/608112325.db2.gz IZOZOXFKMLXLES-UHFFFAOYSA-N -1 3 387.425 0.617 20 0 GCADHM CS(=O)(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)Cc2ccccc21 ZINC000826223318 608112326 /nfs/dbraw/zinc/11/23/26/608112326.db2.gz IZOZOXFKMLXLES-UHFFFAOYSA-N -1 3 387.425 0.617 20 0 GCADHM COc1ccc(CNC(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC000826198478 608113975 /nfs/dbraw/zinc/11/39/75/608113975.db2.gz ZKRDUROQOZXFNA-GFCCVEGCSA-N -1 3 387.400 0.611 20 0 GCADHM COc1ccc(CNC(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000826198478 608113976 /nfs/dbraw/zinc/11/39/76/608113976.db2.gz ZKRDUROQOZXFNA-GFCCVEGCSA-N -1 3 387.400 0.611 20 0 GCADHM O=C(c1cnc2[nH]cnc2c1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826475145 608114368 /nfs/dbraw/zinc/11/43/68/608114368.db2.gz UUJYTEJAUMGDDM-UHFFFAOYSA-N -1 3 376.384 0.495 20 0 GCADHM O=C(c1cnc2[nH]cnc2c1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826475145 608114369 /nfs/dbraw/zinc/11/43/69/608114369.db2.gz UUJYTEJAUMGDDM-UHFFFAOYSA-N -1 3 376.384 0.495 20 0 GCADHM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000824465464 608115191 /nfs/dbraw/zinc/11/51/91/608115191.db2.gz QACVUHUJALEDEM-LLVKDONJSA-N -1 3 376.380 0.790 20 0 GCADHM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000824465464 608115192 /nfs/dbraw/zinc/11/51/92/608115192.db2.gz QACVUHUJALEDEM-LLVKDONJSA-N -1 3 376.380 0.790 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000824729408 608115984 /nfs/dbraw/zinc/11/59/84/608115984.db2.gz JSYPUVGRKQXJHN-LLVKDONJSA-N -1 3 381.458 0.916 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1noc(C2CC2)n1 ZINC000826185440 608117328 /nfs/dbraw/zinc/11/73/28/608117328.db2.gz KEQWLCRQOCTMCV-UHFFFAOYSA-N -1 3 384.356 0.391 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1noc(C2CC2)n1 ZINC000826185440 608117329 /nfs/dbraw/zinc/11/73/29/608117329.db2.gz KEQWLCRQOCTMCV-UHFFFAOYSA-N -1 3 384.356 0.391 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826452104 608117909 /nfs/dbraw/zinc/11/79/09/608117909.db2.gz HSYSURBPUNJCNC-UHFFFAOYSA-N -1 3 391.391 0.634 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826452104 608117910 /nfs/dbraw/zinc/11/79/10/608117910.db2.gz HSYSURBPUNJCNC-UHFFFAOYSA-N -1 3 391.391 0.634 20 0 GCADHM CCC1(CO)CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000825170675 608118280 /nfs/dbraw/zinc/11/82/80/608118280.db2.gz FPACSIHSZNXPCC-UHFFFAOYSA-N -1 3 376.392 0.955 20 0 GCADHM CCC1(CO)CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000825170675 608118281 /nfs/dbraw/zinc/11/82/81/608118281.db2.gz FPACSIHSZNXPCC-UHFFFAOYSA-N -1 3 376.392 0.955 20 0 GCADHM O=C(c1cnc2[nH]cnc2c1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826474925 608119205 /nfs/dbraw/zinc/11/92/05/608119205.db2.gz LBLRCTSGXRWLIW-UHFFFAOYSA-N -1 3 376.384 0.495 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000824640782 608121139 /nfs/dbraw/zinc/12/11/39/608121139.db2.gz OVXPTGYOXQQOLW-BXUZGUMPSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000824640782 608121140 /nfs/dbraw/zinc/12/11/40/608121140.db2.gz OVXPTGYOXQQOLW-BXUZGUMPSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824448165 608124967 /nfs/dbraw/zinc/12/49/67/608124967.db2.gz GKCFPFAHBFYZLY-PIMCKEEVSA-N -1 3 397.404 0.931 20 0 GCADHM C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824448165 608124968 /nfs/dbraw/zinc/12/49/68/608124968.db2.gz GKCFPFAHBFYZLY-PIMCKEEVSA-N -1 3 397.404 0.931 20 0 GCADHM C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824448157 608124970 /nfs/dbraw/zinc/12/49/70/608124970.db2.gz GKCFPFAHBFYZLY-CTGLIMNLSA-N -1 3 397.404 0.931 20 0 GCADHM C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824448157 608124971 /nfs/dbraw/zinc/12/49/71/608124971.db2.gz GKCFPFAHBFYZLY-CTGLIMNLSA-N -1 3 397.404 0.931 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCCN1c1cccnc1 ZINC000826476838 608125320 /nfs/dbraw/zinc/12/53/20/608125320.db2.gz QBPCENMZEPNOCV-HNNXBMFYSA-N -1 3 399.436 0.736 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCCN1c1cccnc1 ZINC000826476838 608125321 /nfs/dbraw/zinc/12/53/21/608125321.db2.gz QBPCENMZEPNOCV-HNNXBMFYSA-N -1 3 399.436 0.736 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CCCN1c1cccnc1 ZINC000826476750 608125454 /nfs/dbraw/zinc/12/54/54/608125454.db2.gz OGYWFVKDTAEJKX-CQSZACIVSA-N -1 3 399.436 0.736 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CCCN1c1cccnc1 ZINC000826476750 608125455 /nfs/dbraw/zinc/12/54/55/608125455.db2.gz OGYWFVKDTAEJKX-CQSZACIVSA-N -1 3 399.436 0.736 20 0 GCADHM O=C1NC2(CO1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000826482470 608125596 /nfs/dbraw/zinc/12/55/96/608125596.db2.gz FUAOIGFAMGOXTL-UHFFFAOYSA-N -1 3 382.377 0.269 20 0 GCADHM O=C1NC2(CO1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000826482470 608125597 /nfs/dbraw/zinc/12/55/97/608125597.db2.gz FUAOIGFAMGOXTL-UHFFFAOYSA-N -1 3 382.377 0.269 20 0 GCADHM O=C1NC2(CO1)CCN(Cc1nnc(-c3cccc(-c4nnn[n-]4)c3)o1)CC2 ZINC000826482541 608126855 /nfs/dbraw/zinc/12/68/55/608126855.db2.gz ILLGYHRAJXFLCM-UHFFFAOYSA-N -1 3 382.384 0.991 20 0 GCADHM O=C1NC2(CO1)CCN(Cc1nnc(-c3cccc(-c4nn[n-]n4)c3)o1)CC2 ZINC000826482541 608126856 /nfs/dbraw/zinc/12/68/56/608126856.db2.gz ILLGYHRAJXFLCM-UHFFFAOYSA-N -1 3 382.384 0.991 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCOCC3(CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826301664 608128276 /nfs/dbraw/zinc/12/82/76/608128276.db2.gz LVIRBJBLMMDKCH-UHFFFAOYSA-N -1 3 393.469 0.993 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCOCC3(CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826301664 608128277 /nfs/dbraw/zinc/12/82/77/608128277.db2.gz LVIRBJBLMMDKCH-UHFFFAOYSA-N -1 3 393.469 0.993 20 0 GCADHM C[C@@H](C[S@@](C)=O)NC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824448719 608130334 /nfs/dbraw/zinc/13/03/34/608130334.db2.gz KUSHRZOHJLJIDJ-JGTBNHKDSA-N -1 3 391.501 0.855 20 0 GCADHM C[C@@H](C[S@@](C)=O)NC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824448719 608130335 /nfs/dbraw/zinc/13/03/35/608130335.db2.gz KUSHRZOHJLJIDJ-JGTBNHKDSA-N -1 3 391.501 0.855 20 0 GCADHM CNC(=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCCOC)cn1 ZINC000826067525 608138874 /nfs/dbraw/zinc/13/88/74/608138874.db2.gz IAIZONCFULOKGR-UHFFFAOYSA-N -1 3 397.395 0.899 20 0 GCADHM CCOCCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825594381 608141163 /nfs/dbraw/zinc/14/11/63/608141163.db2.gz LYUOQZLCZZJKFA-UHFFFAOYSA-N -1 3 392.416 0.325 20 0 GCADHM CCOCCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825594381 608141164 /nfs/dbraw/zinc/14/11/64/608141164.db2.gz LYUOQZLCZZJKFA-UHFFFAOYSA-N -1 3 392.416 0.325 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000826277055 608141823 /nfs/dbraw/zinc/14/18/23/608141823.db2.gz HLEPAOVNUCRNRQ-LBPRGKRZSA-N -1 3 392.441 0.197 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000826277055 608141824 /nfs/dbraw/zinc/14/18/24/608141824.db2.gz HLEPAOVNUCRNRQ-LBPRGKRZSA-N -1 3 392.441 0.197 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)cccc1-c1nnn[n-]1 ZINC000826241131 608141955 /nfs/dbraw/zinc/14/19/55/608141955.db2.gz SFYJDWINPOVDQN-NSHDSACASA-N -1 3 392.441 0.197 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)cccc1-c1nn[n-]n1 ZINC000826241131 608141956 /nfs/dbraw/zinc/14/19/56/608141956.db2.gz SFYJDWINPOVDQN-NSHDSACASA-N -1 3 392.441 0.197 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)c1-c1nnn[n-]1 ZINC000826299307 608141982 /nfs/dbraw/zinc/14/19/82/608141982.db2.gz ZJMOMGLICACKBE-LLVKDONJSA-N -1 3 392.441 0.197 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)c1-c1nn[n-]n1 ZINC000826299307 608141983 /nfs/dbraw/zinc/14/19/83/608141983.db2.gz ZJMOMGLICACKBE-LLVKDONJSA-N -1 3 392.441 0.197 20 0 GCADHM CCN(CC)S(=O)(=O)CC(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1 ZINC000825418340 608142617 /nfs/dbraw/zinc/14/26/17/608142617.db2.gz ZZOJZBJSJMZCGW-GFCCVEGCSA-N -1 3 397.457 0.849 20 0 GCADHM CCN(CC)S(=O)(=O)CC(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1 ZINC000825418340 608142618 /nfs/dbraw/zinc/14/26/18/608142618.db2.gz ZZOJZBJSJMZCGW-GFCCVEGCSA-N -1 3 397.457 0.849 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000825621643 608144776 /nfs/dbraw/zinc/14/47/76/608144776.db2.gz WIALPEUGBFMFEK-UAXLGHPASA-N -1 3 380.430 0.087 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000825621643 608144777 /nfs/dbraw/zinc/14/47/77/608144777.db2.gz WIALPEUGBFMFEK-UAXLGHPASA-N -1 3 380.430 0.087 20 0 GCADHM Cc1cc(C(=O)OCCN2CCOCC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261820 608147094 /nfs/dbraw/zinc/14/70/94/608147094.db2.gz UBXFECPKYLYSIS-UHFFFAOYSA-N -1 3 397.395 0.376 20 0 GCADHM Cc1cc(C(=O)OCCN2CCOCC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261820 608147095 /nfs/dbraw/zinc/14/70/95/608147095.db2.gz UBXFECPKYLYSIS-UHFFFAOYSA-N -1 3 397.395 0.376 20 0 GCADHM CN(CCc1cnccn1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825950271 608155865 /nfs/dbraw/zinc/15/58/65/608155865.db2.gz LVAAZJWOPKSFSR-UHFFFAOYSA-N -1 3 377.405 0.800 20 0 GCADHM CN(CCc1cnccn1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825950271 608155867 /nfs/dbraw/zinc/15/58/67/608155867.db2.gz LVAAZJWOPKSFSR-UHFFFAOYSA-N -1 3 377.405 0.800 20 0 GCADHM CN(CCc1cnccn1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825950166 608155893 /nfs/dbraw/zinc/15/58/93/608155893.db2.gz JYADKBCCXGNYRU-UHFFFAOYSA-N -1 3 381.368 0.798 20 0 GCADHM CN(CCc1cnccn1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825950166 608155894 /nfs/dbraw/zinc/15/58/94/608155894.db2.gz JYADKBCCXGNYRU-UHFFFAOYSA-N -1 3 381.368 0.798 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826279966 608159054 /nfs/dbraw/zinc/15/90/54/608159054.db2.gz JKYSUASMKYJNIU-XJKSGUPXSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826279966 608159055 /nfs/dbraw/zinc/15/90/55/608159055.db2.gz JKYSUASMKYJNIU-XJKSGUPXSA-N -1 3 379.442 0.792 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](C)C(=O)OCC(C)C ZINC000826174600 608164423 /nfs/dbraw/zinc/16/44/23/608164423.db2.gz CLIACJUGDIDTOI-NSHDSACASA-N -1 3 377.401 0.958 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)C(=O)OCC(C)C ZINC000826174600 608164425 /nfs/dbraw/zinc/16/44/25/608164425.db2.gz CLIACJUGDIDTOI-NSHDSACASA-N -1 3 377.401 0.958 20 0 GCADHM C[C@H]1C[C@@H](CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCO1 ZINC000824884285 608164670 /nfs/dbraw/zinc/16/46/70/608164670.db2.gz NAISNDWUUYVMQK-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H]1C[C@@H](CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCO1 ZINC000824884285 608164672 /nfs/dbraw/zinc/16/46/72/608164672.db2.gz NAISNDWUUYVMQK-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H]1C[C@@H](CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCO1 ZINC000824884287 608164761 /nfs/dbraw/zinc/16/47/61/608164761.db2.gz NAISNDWUUYVMQK-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H]1C[C@@H](CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCO1 ZINC000824884287 608164763 /nfs/dbraw/zinc/16/47/63/608164763.db2.gz NAISNDWUUYVMQK-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000826413358 608166793 /nfs/dbraw/zinc/16/67/93/608166793.db2.gz BRDPPFRQGSYNMR-LSDHHAIUSA-N -1 3 383.412 0.274 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000826413358 608166794 /nfs/dbraw/zinc/16/67/94/608166794.db2.gz BRDPPFRQGSYNMR-LSDHHAIUSA-N -1 3 383.412 0.274 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000826412997 608166880 /nfs/dbraw/zinc/16/68/80/608166880.db2.gz MLILZGCFWUNKAI-DLBZAZTESA-N -1 3 382.424 0.879 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000825476248 608167405 /nfs/dbraw/zinc/16/74/05/608167405.db2.gz DEUUWEBYUQIQKS-VXGBXAGGSA-N -1 3 394.457 0.174 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000825476248 608167407 /nfs/dbraw/zinc/16/74/07/608167407.db2.gz DEUUWEBYUQIQKS-VXGBXAGGSA-N -1 3 394.457 0.174 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476798 608167841 /nfs/dbraw/zinc/16/78/41/608167841.db2.gz WUZRZIHEXGDXGE-AWEZNQCLSA-N -1 3 378.458 0.340 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476798 608167843 /nfs/dbraw/zinc/16/78/43/608167843.db2.gz WUZRZIHEXGDXGE-AWEZNQCLSA-N -1 3 378.458 0.340 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826389192 608168153 /nfs/dbraw/zinc/16/81/53/608168153.db2.gz RTMNKADKFRRBOF-KRWDZBQOSA-N -1 3 377.408 0.695 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826389192 608168154 /nfs/dbraw/zinc/16/81/54/608168154.db2.gz RTMNKADKFRRBOF-KRWDZBQOSA-N -1 3 377.408 0.695 20 0 GCADHM O=C(CCN1CCN2C(=O)OCC[C@@H]2C1)Nc1sccc1-c1nnn[n-]1 ZINC000826407122 608168167 /nfs/dbraw/zinc/16/81/67/608168167.db2.gz BTCBHRBCJRJXCP-SNVBAGLBSA-N -1 3 377.430 0.783 20 0 GCADHM O=C(CCN1CCN2C(=O)OCC[C@@H]2C1)Nc1sccc1-c1nn[n-]n1 ZINC000826407122 608168168 /nfs/dbraw/zinc/16/81/68/608168168.db2.gz BTCBHRBCJRJXCP-SNVBAGLBSA-N -1 3 377.430 0.783 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826389193 608168223 /nfs/dbraw/zinc/16/82/23/608168223.db2.gz RTMNKADKFRRBOF-QGZVFWFLSA-N -1 3 377.408 0.695 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826389193 608168224 /nfs/dbraw/zinc/16/82/24/608168224.db2.gz RTMNKADKFRRBOF-QGZVFWFLSA-N -1 3 377.408 0.695 20 0 GCADHM Cc1oc(NC(=O)CN(C)CC(C)(C)S(C)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000826341933 608169826 /nfs/dbraw/zinc/16/98/26/608169826.db2.gz SYHXUUVBZXKNKX-UHFFFAOYSA-N -1 3 384.462 0.770 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000826413997 608169894 /nfs/dbraw/zinc/16/98/94/608169894.db2.gz ZFNBIGMDGSGQHW-CQSZACIVSA-N -1 3 392.423 0.875 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000826413997 608169897 /nfs/dbraw/zinc/16/98/97/608169897.db2.gz ZFNBIGMDGSGQHW-CQSZACIVSA-N -1 3 392.423 0.875 20 0 GCADHM O=C1OCC[C@H]2CN(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CCN12 ZINC000826483555 608170247 /nfs/dbraw/zinc/17/02/47/608170247.db2.gz RKORCGMFJZHCFS-ZDUSSCGKSA-N -1 3 382.384 0.943 20 0 GCADHM O=C1OCC[C@H]2CN(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)CCN12 ZINC000826483555 608170248 /nfs/dbraw/zinc/17/02/48/608170248.db2.gz RKORCGMFJZHCFS-ZDUSSCGKSA-N -1 3 382.384 0.943 20 0 GCADHM O=C1OCC[C@H]2CN(Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CCN12 ZINC000826483305 608170339 /nfs/dbraw/zinc/17/03/39/608170339.db2.gz JBUNXKZGAHICRT-ZDUSSCGKSA-N -1 3 382.384 0.943 20 0 GCADHM O=C1OCC[C@H]2CN(Cc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)CCN12 ZINC000826483305 608170341 /nfs/dbraw/zinc/17/03/41/608170341.db2.gz JBUNXKZGAHICRT-ZDUSSCGKSA-N -1 3 382.384 0.943 20 0 GCADHM O=C1OCC[C@H]2CN(CCS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCN12 ZINC000826483157 608170545 /nfs/dbraw/zinc/17/05/45/608170545.db2.gz CVCJTYDWGUIEHM-ZDUSSCGKSA-N -1 3 392.441 0.167 20 0 GCADHM O=C1OCC[C@H]2CN(CCS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCN12 ZINC000826483157 608170547 /nfs/dbraw/zinc/17/05/47/608170547.db2.gz CVCJTYDWGUIEHM-ZDUSSCGKSA-N -1 3 392.441 0.167 20 0 GCADHM COc1ccc(COC(=O)c2cnc3c(c2)NC(=O)CO3)cc1-c1nnn[n-]1 ZINC000826206537 608177616 /nfs/dbraw/zinc/17/76/16/608177616.db2.gz YUXPVTCJXUSCEN-UHFFFAOYSA-N -1 3 382.336 0.958 20 0 GCADHM COc1ccc(COC(=O)c2cnc3c(c2)NC(=O)CO3)cc1-c1nn[n-]n1 ZINC000826206537 608177617 /nfs/dbraw/zinc/17/76/17/608177617.db2.gz YUXPVTCJXUSCEN-UHFFFAOYSA-N -1 3 382.336 0.958 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825006738 608186560 /nfs/dbraw/zinc/18/65/60/608186560.db2.gz OTSISBUVLOJPDT-QWHCGFSZSA-N -1 3 388.428 0.584 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825006738 608186561 /nfs/dbraw/zinc/18/65/61/608186561.db2.gz OTSISBUVLOJPDT-QWHCGFSZSA-N -1 3 388.428 0.584 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825006737 608186568 /nfs/dbraw/zinc/18/65/68/608186568.db2.gz OTSISBUVLOJPDT-OLZOCXBDSA-N -1 3 388.428 0.584 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825006737 608186569 /nfs/dbraw/zinc/18/65/69/608186569.db2.gz OTSISBUVLOJPDT-OLZOCXBDSA-N -1 3 388.428 0.584 20 0 GCADHM CCN1C[C@@H](C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CC1=O ZINC000825443522 608191535 /nfs/dbraw/zinc/19/15/35/608191535.db2.gz CZXIFAKUUWBKJE-ZDUSSCGKSA-N -1 3 380.412 0.741 20 0 GCADHM CCN1C[C@@H](C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CC1=O ZINC000825443522 608191536 /nfs/dbraw/zinc/19/15/36/608191536.db2.gz CZXIFAKUUWBKJE-ZDUSSCGKSA-N -1 3 380.412 0.741 20 0 GCADHM O=C(CN1CCCNC1=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826410835 608192021 /nfs/dbraw/zinc/19/20/21/608192021.db2.gz ZRFSRZSPJCMCAZ-UHFFFAOYSA-N -1 3 381.400 0.288 20 0 GCADHM O=C(CN1CCCNC1=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826410835 608192022 /nfs/dbraw/zinc/19/20/22/608192022.db2.gz ZRFSRZSPJCMCAZ-UHFFFAOYSA-N -1 3 381.400 0.288 20 0 GCADHM CNC(=O)C1(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CCC1 ZINC000826052180 608192129 /nfs/dbraw/zinc/19/21/29/608192129.db2.gz PDETXBWDZLCPGQ-UHFFFAOYSA-N -1 3 380.412 0.789 20 0 GCADHM CNC(=O)C1(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CCC1 ZINC000826052180 608192132 /nfs/dbraw/zinc/19/21/32/608192132.db2.gz PDETXBWDZLCPGQ-UHFFFAOYSA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1-c1nnn[n-]1 ZINC000826298961 608192628 /nfs/dbraw/zinc/19/26/28/608192628.db2.gz MFMVCIHUVYKKAG-XIKOKIGWSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000826298961 608192629 /nfs/dbraw/zinc/19/26/29/608192629.db2.gz MFMVCIHUVYKKAG-XIKOKIGWSA-N -1 3 386.412 0.568 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCCC12OCCO2 ZINC000826411505 608196840 /nfs/dbraw/zinc/19/68/40/608196840.db2.gz AYSXKUHPNBOYPL-AWEZNQCLSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCCC12OCCO2 ZINC000826411505 608196841 /nfs/dbraw/zinc/19/68/41/608196841.db2.gz AYSXKUHPNBOYPL-AWEZNQCLSA-N -1 3 386.412 0.398 20 0 GCADHM Cc1nc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826326951 608201752 /nfs/dbraw/zinc/20/17/52/608201752.db2.gz LVQNXZZYPZHHKY-MRVPVSSYSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1nc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826326951 608201754 /nfs/dbraw/zinc/20/17/54/608201754.db2.gz LVQNXZZYPZHHKY-MRVPVSSYSA-N -1 3 393.454 0.937 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000825476540 608202612 /nfs/dbraw/zinc/20/26/12/608202612.db2.gz MZWXIHKFKBVIBQ-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000825476540 608202613 /nfs/dbraw/zinc/20/26/13/608202613.db2.gz MZWXIHKFKBVIBQ-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM C[C@@H]1[C@H](C)N(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCN1C ZINC000824860807 608202922 /nfs/dbraw/zinc/20/29/22/608202922.db2.gz XXCCOFVWZLYIEL-NEPJUHHUSA-N -1 3 381.444 0.799 20 0 GCADHM Nc1ncncc1CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826396774 608203668 /nfs/dbraw/zinc/20/36/68/608203668.db2.gz KMNYCUCFTNLZBY-UHFFFAOYSA-N -1 3 395.431 0.102 20 0 GCADHM Nc1ncncc1CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826396774 608203670 /nfs/dbraw/zinc/20/36/70/608203670.db2.gz KMNYCUCFTNLZBY-UHFFFAOYSA-N -1 3 395.431 0.102 20 0 GCADHM CC(CO)(CO)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000824434460 608203975 /nfs/dbraw/zinc/20/39/75/608203975.db2.gz KJOUGJOVYDNVTJ-UHFFFAOYSA-N -1 3 385.384 0.919 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NN1CCCCC1 ZINC000824641032 608205184 /nfs/dbraw/zinc/20/51/84/608205184.db2.gz ROGCKSTYERTZQI-NSHDSACASA-N -1 3 379.446 0.051 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NN1CCCCC1 ZINC000824641032 608205186 /nfs/dbraw/zinc/20/51/86/608205186.db2.gz ROGCKSTYERTZQI-NSHDSACASA-N -1 3 379.446 0.051 20 0 GCADHM CC[C@H](CO)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000825120460 608205348 /nfs/dbraw/zinc/20/53/48/608205348.db2.gz KHETVAYEDGVIEU-SNVBAGLBSA-N -1 3 393.473 0.218 20 0 GCADHM NC(=O)c1cnn2c1nccc2C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826393667 608205535 /nfs/dbraw/zinc/20/55/35/608205535.db2.gz CQLWMFMJBUFCQG-UHFFFAOYSA-N -1 3 375.352 0.211 20 0 GCADHM NC(=O)c1cnn2c1nccc2C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826393667 608205536 /nfs/dbraw/zinc/20/55/36/608205536.db2.gz CQLWMFMJBUFCQG-UHFFFAOYSA-N -1 3 375.352 0.211 20 0 GCADHM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000826425044 608205571 /nfs/dbraw/zinc/20/55/71/608205571.db2.gz NYEYCHIXMUKKNG-LBPRGKRZSA-N -1 3 391.399 0.607 20 0 GCADHM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000826425044 608205572 /nfs/dbraw/zinc/20/55/72/608205572.db2.gz NYEYCHIXMUKKNG-LBPRGKRZSA-N -1 3 391.399 0.607 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCc2noc(C3CC3)n2)cc1 ZINC000826394873 608205676 /nfs/dbraw/zinc/20/56/76/608205676.db2.gz CMBZBFQADRKQPU-UHFFFAOYSA-N -1 3 392.383 0.825 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCc2noc(C3CC3)n2)cc1 ZINC000826394873 608205677 /nfs/dbraw/zinc/20/56/77/608205677.db2.gz CMBZBFQADRKQPU-UHFFFAOYSA-N -1 3 392.383 0.825 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000826478379 608210293 /nfs/dbraw/zinc/21/02/93/608210293.db2.gz AHHWBWXHMWPURH-GJZGRUSLSA-N -1 3 397.439 0.114 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000826478379 608210295 /nfs/dbraw/zinc/21/02/95/608210295.db2.gz AHHWBWXHMWPURH-GJZGRUSLSA-N -1 3 397.439 0.114 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000825476327 608210838 /nfs/dbraw/zinc/21/08/38/608210838.db2.gz GOYGFXVRNZWJKF-RYUDHWBXSA-N -1 3 393.473 0.207 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000825476327 608210840 /nfs/dbraw/zinc/21/08/40/608210840.db2.gz GOYGFXVRNZWJKF-RYUDHWBXSA-N -1 3 393.473 0.207 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000825476531 608210980 /nfs/dbraw/zinc/21/09/80/608210980.db2.gz MUKKAAJDISLKEO-LLVKDONJSA-N -1 3 397.461 0.029 20 0 GCADHM Cc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1S(N)(=O)=O ZINC000826290995 608216684 /nfs/dbraw/zinc/21/66/84/608216684.db2.gz KIEUMVSLDDSFRN-UHFFFAOYSA-N -1 3 388.413 0.268 20 0 GCADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1S(N)(=O)=O ZINC000826290995 608216686 /nfs/dbraw/zinc/21/66/86/608216686.db2.gz KIEUMVSLDDSFRN-UHFFFAOYSA-N -1 3 388.413 0.268 20 0 GCADHM Cc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1-n1cnnn1 ZINC000826290350 608219361 /nfs/dbraw/zinc/21/93/61/608219361.db2.gz JZMOZKUNVGKFIO-UHFFFAOYSA-N -1 3 377.372 0.596 20 0 GCADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1-n1cnnn1 ZINC000826290350 608219364 /nfs/dbraw/zinc/21/93/64/608219364.db2.gz JZMOZKUNVGKFIO-UHFFFAOYSA-N -1 3 377.372 0.596 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCN(C(=O)c2ccco2)CC1 ZINC000826413371 608219648 /nfs/dbraw/zinc/21/96/48/608219648.db2.gz CAWWMBYYSGMCFB-UHFFFAOYSA-N -1 3 382.384 0.251 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCN(C(=O)c2ccco2)CC1 ZINC000826413371 608219650 /nfs/dbraw/zinc/21/96/50/608219650.db2.gz CAWWMBYYSGMCFB-UHFFFAOYSA-N -1 3 382.384 0.251 20 0 GCADHM COc1ccc(C(=O)NCCNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826187502 608220434 /nfs/dbraw/zinc/22/04/34/608220434.db2.gz SWHOMMKRNLHHRM-UHFFFAOYSA-N -1 3 396.411 0.228 20 0 GCADHM COc1ccc(C(=O)NCCNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826187502 608220436 /nfs/dbraw/zinc/22/04/36/608220436.db2.gz SWHOMMKRNLHHRM-UHFFFAOYSA-N -1 3 396.411 0.228 20 0 GCADHM Cc1nccn1-c1ccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000826331094 608220495 /nfs/dbraw/zinc/22/04/95/608220495.db2.gz UPSHHBNMJBLRFT-UHFFFAOYSA-N -1 3 390.411 0.879 20 0 GCADHM NC(=O)CCOc1ccccc1NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826391204 608220688 /nfs/dbraw/zinc/22/06/88/608220688.db2.gz AJZMTSRUWGROOR-UHFFFAOYSA-N -1 3 382.384 0.567 20 0 GCADHM NC(=O)CCOc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826391204 608220690 /nfs/dbraw/zinc/22/06/90/608220690.db2.gz AJZMTSRUWGROOR-UHFFFAOYSA-N -1 3 382.384 0.567 20 0 GCADHM CS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826224208 608220807 /nfs/dbraw/zinc/22/08/07/608220807.db2.gz UPHGTTYEQRJMMI-UHFFFAOYSA-N -1 3 387.425 0.394 20 0 GCADHM CS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826224208 608220808 /nfs/dbraw/zinc/22/08/08/608220808.db2.gz UPHGTTYEQRJMMI-UHFFFAOYSA-N -1 3 387.425 0.394 20 0 GCADHM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824284686 608221182 /nfs/dbraw/zinc/22/11/82/608221182.db2.gz MTIHDTLOPJVXFA-GFCCVEGCSA-N -1 3 390.473 0.442 20 0 GCADHM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824284686 608221184 /nfs/dbraw/zinc/22/11/84/608221184.db2.gz MTIHDTLOPJVXFA-GFCCVEGCSA-N -1 3 390.473 0.442 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCC(=O)N1CCCc2ccccc21 ZINC000826413987 608221425 /nfs/dbraw/zinc/22/14/25/608221425.db2.gz YZWPXVHWEWMMKY-UHFFFAOYSA-N -1 3 392.423 0.769 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCC(=O)N1CCCc2ccccc21 ZINC000826413987 608221427 /nfs/dbraw/zinc/22/14/27/608221427.db2.gz YZWPXVHWEWMMKY-UHFFFAOYSA-N -1 3 392.423 0.769 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825399567 608221893 /nfs/dbraw/zinc/22/18/93/608221893.db2.gz YEPFRQFIULJVLO-LBPRGKRZSA-N -1 3 390.473 0.444 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825399567 608221895 /nfs/dbraw/zinc/22/18/95/608221895.db2.gz YEPFRQFIULJVLO-LBPRGKRZSA-N -1 3 390.473 0.444 20 0 GCADHM C[C@H]1C[C@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C(=O)N1c1ccccc1 ZINC000824883315 608224011 /nfs/dbraw/zinc/22/40/11/608224011.db2.gz GHLKMUAXMUGGHB-WFASDCNBSA-N -1 3 392.423 0.984 20 0 GCADHM C[C@H]1C[C@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C(=O)N1c1ccccc1 ZINC000824883315 608224013 /nfs/dbraw/zinc/22/40/13/608224013.db2.gz GHLKMUAXMUGGHB-WFASDCNBSA-N -1 3 392.423 0.984 20 0 GCADHM C[C@H]1CN=C(N2CCN(C(=O)CNc3ccc(-c4nnn[n-]4)cn3)CC2)S1 ZINC000824999549 608224399 /nfs/dbraw/zinc/22/43/99/608224399.db2.gz HNUJSNYWLARQKG-NSHDSACASA-N -1 3 387.473 0.309 20 0 GCADHM C[C@H]1CN=C(N2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CC2)S1 ZINC000824999549 608224400 /nfs/dbraw/zinc/22/44/00/608224400.db2.gz HNUJSNYWLARQKG-NSHDSACASA-N -1 3 387.473 0.309 20 0 GCADHM C[S@@](=O)C[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000826224382 608224635 /nfs/dbraw/zinc/22/46/35/608224635.db2.gz BTCCKSFBCGNABH-LOKFHWFJSA-N -1 3 385.453 0.910 20 0 GCADHM C[S@@](=O)C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000826224382 608224637 /nfs/dbraw/zinc/22/46/37/608224637.db2.gz BTCCKSFBCGNABH-LOKFHWFJSA-N -1 3 385.453 0.910 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000826413407 608225110 /nfs/dbraw/zinc/22/51/10/608225110.db2.gz DIPYLOUQSHIGDO-HNNXBMFYSA-N -1 3 392.423 0.985 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000826413407 608225111 /nfs/dbraw/zinc/22/51/11/608225111.db2.gz DIPYLOUQSHIGDO-HNNXBMFYSA-N -1 3 392.423 0.985 20 0 GCADHM C[C@@H](N1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC000824464146 608225276 /nfs/dbraw/zinc/22/52/76/608225276.db2.gz FIEDVSDQQLXFON-SNVBAGLBSA-N -1 3 384.366 0.769 20 0 GCADHM C[C@@H](N1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC000824464146 608225279 /nfs/dbraw/zinc/22/52/79/608225279.db2.gz FIEDVSDQQLXFON-SNVBAGLBSA-N -1 3 384.366 0.769 20 0 GCADHM C[C@H](N1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC000824464145 608225404 /nfs/dbraw/zinc/22/54/04/608225404.db2.gz FIEDVSDQQLXFON-JTQLQIEISA-N -1 3 384.366 0.769 20 0 GCADHM C[C@H](N1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC000824464145 608225405 /nfs/dbraw/zinc/22/54/05/608225405.db2.gz FIEDVSDQQLXFON-JTQLQIEISA-N -1 3 384.366 0.769 20 0 GCADHM Cn1ccnc(N2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)c1=O ZINC000826364276 608230909 /nfs/dbraw/zinc/23/09/09/608230909.db2.gz QHTISDIMKMEKFM-UHFFFAOYSA-N -1 3 389.423 0.835 20 0 GCADHM Cn1ccnc(N2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)c1=O ZINC000826364276 608230911 /nfs/dbraw/zinc/23/09/11/608230911.db2.gz QHTISDIMKMEKFM-UHFFFAOYSA-N -1 3 389.423 0.835 20 0 GCADHM CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)[C@H](O)C(F)(F)F ZINC000825147586 608238552 /nfs/dbraw/zinc/23/85/52/608238552.db2.gz KCWQLIHNSHZSIY-UWVGGRQHSA-N -1 3 383.327 0.986 20 0 GCADHM CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)[C@H](O)C(F)(F)F ZINC000825147586 608238553 /nfs/dbraw/zinc/23/85/53/608238553.db2.gz KCWQLIHNSHZSIY-UWVGGRQHSA-N -1 3 383.327 0.986 20 0 GCADHM O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826409473 608238679 /nfs/dbraw/zinc/23/86/79/608238679.db2.gz AOOGDHUSBHZKEA-HNNXBMFYSA-N -1 3 391.391 0.968 20 0 GCADHM O=C(CN1C(=O)N[C@@H](Cc2ccccc2)C1=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826409473 608238681 /nfs/dbraw/zinc/23/86/81/608238681.db2.gz AOOGDHUSBHZKEA-HNNXBMFYSA-N -1 3 391.391 0.968 20 0 GCADHM COC[C@@H](O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826151909 608238705 /nfs/dbraw/zinc/23/87/05/608238705.db2.gz MEVODGHSYBHMFA-VIFPVBQESA-N -1 3 395.363 0.561 20 0 GCADHM COC[C@@H](O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826151909 608238708 /nfs/dbraw/zinc/23/87/08/608238708.db2.gz MEVODGHSYBHMFA-VIFPVBQESA-N -1 3 395.363 0.561 20 0 GCADHM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825248399 608240073 /nfs/dbraw/zinc/24/00/73/608240073.db2.gz SXLIZXMJYRUSCA-NSHDSACASA-N -1 3 386.384 0.434 20 0 GCADHM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825248399 608240074 /nfs/dbraw/zinc/24/00/74/608240074.db2.gz SXLIZXMJYRUSCA-NSHDSACASA-N -1 3 386.384 0.434 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826060961 608240337 /nfs/dbraw/zinc/24/03/37/608240337.db2.gz XIVGAJHOXXUZBQ-CMPLNLGQSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826060961 608240338 /nfs/dbraw/zinc/24/03/38/608240338.db2.gz XIVGAJHOXXUZBQ-CMPLNLGQSA-N -1 3 384.849 0.713 20 0 GCADHM O=C(N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)[C@]1(O)CCSC1 ZINC000826426347 608240552 /nfs/dbraw/zinc/24/05/52/608240552.db2.gz LNKYPONNCAEDGV-INIZCTEOSA-N -1 3 378.433 0.522 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826322029 608241484 /nfs/dbraw/zinc/24/14/84/608241484.db2.gz XOMWXLKSJZCSEL-AWEZNQCLSA-N -1 3 389.441 0.969 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826322029 608241486 /nfs/dbraw/zinc/24/14/86/608241486.db2.gz XOMWXLKSJZCSEL-AWEZNQCLSA-N -1 3 389.441 0.969 20 0 GCADHM O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)CCN12 ZINC000826480008 608242211 /nfs/dbraw/zinc/24/22/11/608242211.db2.gz OLNKMFCTIGWDBT-SECBINFHSA-N -1 3 382.833 0.515 20 0 GCADHM O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(Cl)c3)CCN12 ZINC000826480008 608242213 /nfs/dbraw/zinc/24/22/13/608242213.db2.gz OLNKMFCTIGWDBT-SECBINFHSA-N -1 3 382.833 0.515 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826050926 608245442 /nfs/dbraw/zinc/24/54/42/608245442.db2.gz IFXSCVHLJBMIPA-MWLCHTKSSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826050926 608245443 /nfs/dbraw/zinc/24/54/43/608245443.db2.gz IFXSCVHLJBMIPA-MWLCHTKSSA-N -1 3 391.819 0.490 20 0 GCADHM COC[C@H](O)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000826151915 608245789 /nfs/dbraw/zinc/24/57/89/608245789.db2.gz MIGIQITWTZHDAF-SNVBAGLBSA-N -1 3 378.458 0.988 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825759979 608249152 /nfs/dbraw/zinc/24/91/52/608249152.db2.gz RGMWODQSXGJVKF-UHFFFAOYSA-N -1 3 391.457 0.791 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825759979 608249154 /nfs/dbraw/zinc/24/91/54/608249154.db2.gz RGMWODQSXGJVKF-UHFFFAOYSA-N -1 3 391.457 0.791 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824677812 608249972 /nfs/dbraw/zinc/24/99/72/608249972.db2.gz HURUMJDFCGWFKS-GFCCVEGCSA-N -1 3 390.469 0.152 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677812 608249974 /nfs/dbraw/zinc/24/99/74/608249974.db2.gz HURUMJDFCGWFKS-GFCCVEGCSA-N -1 3 390.469 0.152 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@]1(C)CCCOC1 ZINC000824640789 608250294 /nfs/dbraw/zinc/25/02/94/608250294.db2.gz OYQQPAYPUNFLFV-ZBEGNZNMSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@]1(C)CCCOC1 ZINC000824640789 608250296 /nfs/dbraw/zinc/25/02/96/608250296.db2.gz OYQQPAYPUNFLFV-ZBEGNZNMSA-N -1 3 394.457 0.219 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825247422 608250492 /nfs/dbraw/zinc/25/04/92/608250492.db2.gz DDCIOCNNPFROON-GFCCVEGCSA-N -1 3 391.819 0.586 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825247422 608250494 /nfs/dbraw/zinc/25/04/94/608250494.db2.gz DDCIOCNNPFROON-GFCCVEGCSA-N -1 3 391.819 0.586 20 0 GCADHM C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824058772 608250524 /nfs/dbraw/zinc/25/05/24/608250524.db2.gz BRITTZYTRUBVMU-LURJTMIESA-N -1 3 378.336 0.380 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@]1(C)CCCOC1 ZINC000824640787 608250612 /nfs/dbraw/zinc/25/06/12/608250612.db2.gz OYQQPAYPUNFLFV-BZNIZROVSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@]1(C)CCCOC1 ZINC000824640787 608250613 /nfs/dbraw/zinc/25/06/13/608250613.db2.gz OYQQPAYPUNFLFV-BZNIZROVSA-N -1 3 394.457 0.219 20 0 GCADHM O=C(CCCC(=O)N1CCN2C(=O)CC[C@@H]2C1)Nc1ccccc1-c1nnn[n-]1 ZINC000826405432 608252230 /nfs/dbraw/zinc/25/22/30/608252230.db2.gz FMQKUXGHOSAQCL-CYBMUJFWSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(CCCC(=O)N1CCN2C(=O)CC[C@@H]2C1)Nc1ccccc1-c1nn[n-]n1 ZINC000826405432 608252233 /nfs/dbraw/zinc/25/22/33/608252233.db2.gz FMQKUXGHOSAQCL-CYBMUJFWSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCOC[C@H]1C1CC1 ZINC000826462904 608253048 /nfs/dbraw/zinc/25/30/48/608253048.db2.gz NEVUDPDWJSNTQP-ZDUSSCGKSA-N -1 3 393.350 0.939 20 0 GCADHM O=C(COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCOC[C@H]1C1CC1 ZINC000826462904 608253050 /nfs/dbraw/zinc/25/30/50/608253050.db2.gz NEVUDPDWJSNTQP-ZDUSSCGKSA-N -1 3 393.350 0.939 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)[C@@H]1CCSC1 ZINC000825897491 608254602 /nfs/dbraw/zinc/25/46/02/608254602.db2.gz HINNOIGPEHQSLA-SECBINFHSA-N -1 3 382.471 0.847 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)[C@@H]1CCSC1 ZINC000825897491 608254604 /nfs/dbraw/zinc/25/46/04/608254604.db2.gz HINNOIGPEHQSLA-SECBINFHSA-N -1 3 382.471 0.847 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nnn[n-]2)CC1)N1CCOC[C@H]1C1CC1 ZINC000826410863 608254609 /nfs/dbraw/zinc/25/46/09/608254609.db2.gz AQVIMHIYUIIMSD-SFHVURJKSA-N -1 3 397.483 0.626 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nn[n-]n2)CC1)N1CCOC[C@H]1C1CC1 ZINC000826410863 608254611 /nfs/dbraw/zinc/25/46/11/608254611.db2.gz AQVIMHIYUIIMSD-SFHVURJKSA-N -1 3 397.483 0.626 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nnn[n-]2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000826410862 608254750 /nfs/dbraw/zinc/25/47/50/608254750.db2.gz AQVIMHIYUIIMSD-GOSISDBHSA-N -1 3 397.483 0.626 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nn[n-]n2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000826410862 608254751 /nfs/dbraw/zinc/25/47/51/608254751.db2.gz AQVIMHIYUIIMSD-GOSISDBHSA-N -1 3 397.483 0.626 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1nnnn1C ZINC000824255763 608256439 /nfs/dbraw/zinc/25/64/39/608256439.db2.gz WVJUMZWWHOIDMJ-UHFFFAOYSA-N -1 3 384.448 0.801 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1nnnn1C ZINC000824255763 608256441 /nfs/dbraw/zinc/25/64/41/608256441.db2.gz WVJUMZWWHOIDMJ-UHFFFAOYSA-N -1 3 384.448 0.801 20 0 GCADHM Cn1nnnc1CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826367130 608262240 /nfs/dbraw/zinc/26/22/40/608262240.db2.gz NCKSOGRDBSNPRM-UHFFFAOYSA-N -1 3 380.319 0.356 20 0 GCADHM Cn1nnnc1CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826367130 608262241 /nfs/dbraw/zinc/26/22/41/608262241.db2.gz NCKSOGRDBSNPRM-UHFFFAOYSA-N -1 3 380.319 0.356 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000271058573 608268437 /nfs/dbraw/zinc/26/84/37/608268437.db2.gz RXWIYCUZGWVWMT-UHFFFAOYSA-N -1 3 389.416 0.124 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000271058573 608268439 /nfs/dbraw/zinc/26/84/39/608268439.db2.gz RXWIYCUZGWVWMT-UHFFFAOYSA-N -1 3 389.416 0.124 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000826277731 608272772 /nfs/dbraw/zinc/27/27/72/608272772.db2.gz DYWCLPLAZBMHAM-UHFFFAOYSA-N -1 3 384.400 0.723 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000826277731 608272774 /nfs/dbraw/zinc/27/27/74/608272774.db2.gz DYWCLPLAZBMHAM-UHFFFAOYSA-N -1 3 384.400 0.723 20 0 GCADHM NC(=O)c1cc(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)ccn1 ZINC000826392512 608277442 /nfs/dbraw/zinc/27/74/42/608277442.db2.gz AYBGZJQQGBJGBZ-UHFFFAOYSA-N -1 3 394.395 0.439 20 0 GCADHM NC(=O)c1cc(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)ccn1 ZINC000826392512 608277443 /nfs/dbraw/zinc/27/74/43/608277443.db2.gz AYBGZJQQGBJGBZ-UHFFFAOYSA-N -1 3 394.395 0.439 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000823981895 608284061 /nfs/dbraw/zinc/28/40/61/608284061.db2.gz RTZSLNSNNQOSSB-UHFFFAOYSA-N -1 3 398.471 0.633 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000823981895 608284062 /nfs/dbraw/zinc/28/40/62/608284062.db2.gz RTZSLNSNNQOSSB-UHFFFAOYSA-N -1 3 398.471 0.633 20 0 GCADHM CNS(=O)(=O)C1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000826090086 608286343 /nfs/dbraw/zinc/28/63/43/608286343.db2.gz CFPTVBDHIYSNHM-UHFFFAOYSA-N -1 3 377.474 0.659 20 0 GCADHM CNS(=O)(=O)C1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000826090086 608286344 /nfs/dbraw/zinc/28/63/44/608286344.db2.gz CFPTVBDHIYSNHM-UHFFFAOYSA-N -1 3 377.474 0.659 20 0 GCADHM C[S@@](=O)CCN1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000826224464 608289992 /nfs/dbraw/zinc/28/99/92/608289992.db2.gz FCQKWNMZJRBEGM-AREMUKBSSA-N -1 3 375.502 0.641 20 0 GCADHM C[S@@](=O)CCN1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000826224464 608289994 /nfs/dbraw/zinc/28/99/94/608289994.db2.gz FCQKWNMZJRBEGM-AREMUKBSSA-N -1 3 375.502 0.641 20 0 GCADHM C[C@]1(C2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CC2)NC(=O)NC1=O ZINC000824816480 608292518 /nfs/dbraw/zinc/29/25/18/608292518.db2.gz FBRODSPIBULXRH-LJQANCHMSA-N -1 3 396.455 0.955 20 0 GCADHM C[C@]1(C2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CC2)NC(=O)NC1=O ZINC000824816480 608292519 /nfs/dbraw/zinc/29/25/19/608292519.db2.gz FBRODSPIBULXRH-LJQANCHMSA-N -1 3 396.455 0.955 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC000823968036 608297771 /nfs/dbraw/zinc/29/77/71/608297771.db2.gz UBQYPSHGEJAPJK-ZDUSSCGKSA-N -1 3 383.416 0.889 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC000823968036 608297772 /nfs/dbraw/zinc/29/77/72/608297772.db2.gz UBQYPSHGEJAPJK-ZDUSSCGKSA-N -1 3 383.416 0.889 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1COC2(CCCC2)O1 ZINC000826411989 608302909 /nfs/dbraw/zinc/30/29/09/608302909.db2.gz WVSPRLJRZYOQPS-CQSZACIVSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1COC2(CCCC2)O1 ZINC000826411989 608302910 /nfs/dbraw/zinc/30/29/10/608302910.db2.gz WVSPRLJRZYOQPS-CQSZACIVSA-N -1 3 386.412 0.398 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCCC2)O1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826490708 608304408 /nfs/dbraw/zinc/30/44/08/608304408.db2.gz DSYVCHMTKPSRRI-JTQLQIEISA-N -1 3 383.405 0.970 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCCC2)O1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826490708 608304410 /nfs/dbraw/zinc/30/44/10/608304410.db2.gz DSYVCHMTKPSRRI-JTQLQIEISA-N -1 3 383.405 0.970 20 0 GCADHM Cc1c(NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cccc1-c1nnn[n-]1 ZINC000826241408 608307907 /nfs/dbraw/zinc/30/79/07/608307907.db2.gz CHDRQIMKWJIEIA-UHFFFAOYSA-N -1 3 384.400 0.723 20 0 GCADHM Cc1c(NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cccc1-c1nn[n-]n1 ZINC000826241408 608307909 /nfs/dbraw/zinc/30/79/09/608307909.db2.gz CHDRQIMKWJIEIA-UHFFFAOYSA-N -1 3 384.400 0.723 20 0 GCADHM Cc1c(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000826241560 608308202 /nfs/dbraw/zinc/30/82/02/608308202.db2.gz HQSKIUMAPLSXRD-UHFFFAOYSA-N -1 3 389.416 0.755 20 0 GCADHM Cc1c(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000826241560 608308204 /nfs/dbraw/zinc/30/82/04/608308204.db2.gz HQSKIUMAPLSXRD-UHFFFAOYSA-N -1 3 389.416 0.755 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCS(=O)(=O)C[C@H]2C)c1-c1nnn[n-]1 ZINC000826332440 608315524 /nfs/dbraw/zinc/31/55/24/608315524.db2.gz UMUPQEIPINDSLN-GFCCVEGCSA-N -1 3 387.469 0.980 20 0 GCADHM COC(=O)CN(CC(=O)OC)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000826138526 608316604 /nfs/dbraw/zinc/31/66/04/608316604.db2.gz YHEMDDYDZMCXDX-UHFFFAOYSA-N -1 3 399.411 0.509 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2C[C@@H]3OCCN(C)[C@H]3C2)c1-c1nnn[n-]1 ZINC000826332005 608316804 /nfs/dbraw/zinc/31/68/04/608316804.db2.gz GVILRFCVQIFEJJ-RDJZCZTQSA-N -1 3 380.456 0.876 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2C[C@@H]3OCCN(C)[C@H]3C2)c1-c1nn[n-]n1 ZINC000826332005 608316806 /nfs/dbraw/zinc/31/68/06/608316806.db2.gz GVILRFCVQIFEJJ-RDJZCZTQSA-N -1 3 380.456 0.876 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCSC[C@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826332467 608322260 /nfs/dbraw/zinc/32/22/60/608322260.db2.gz VKLIBVRTEMLKDH-AWEZNQCLSA-N -1 3 384.469 0.764 20 0 GCADHM NC(=O)[C@@H]1CSCCN1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826391147 608322849 /nfs/dbraw/zinc/32/28/49/608322849.db2.gz YAGLKQOTZYVFLW-LBPRGKRZSA-N -1 3 395.876 0.751 20 0 GCADHM NC(=O)[C@@H]1CSCCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826391147 608322850 /nfs/dbraw/zinc/32/28/50/608322850.db2.gz YAGLKQOTZYVFLW-LBPRGKRZSA-N -1 3 395.876 0.751 20 0 GCADHM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826060550 608327107 /nfs/dbraw/zinc/32/71/07/608327107.db2.gz ONEZIJJJNOTHGC-ZDUSSCGKSA-N -1 3 382.421 0.436 20 0 GCADHM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826060550 608327109 /nfs/dbraw/zinc/32/71/09/608327109.db2.gz ONEZIJJJNOTHGC-ZDUSSCGKSA-N -1 3 382.421 0.436 20 0 GCADHM COC(=O)[C@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826133939 608327167 /nfs/dbraw/zinc/32/71/67/608327167.db2.gz QQPYMJSNQYNNKO-CYBMUJFWSA-N -1 3 383.405 0.863 20 0 GCADHM COC(=O)[C@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826133939 608327169 /nfs/dbraw/zinc/32/71/69/608327169.db2.gz QQPYMJSNQYNNKO-CYBMUJFWSA-N -1 3 383.405 0.863 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000823967323 608329292 /nfs/dbraw/zinc/32/92/92/608329292.db2.gz LUBDTXDCTLIYHV-UHFFFAOYSA-N -1 3 396.448 0.778 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000823967323 608329294 /nfs/dbraw/zinc/32/92/94/608329294.db2.gz LUBDTXDCTLIYHV-UHFFFAOYSA-N -1 3 396.448 0.778 20 0 GCADHM NC(=O)N[C@H](CO)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826391775 608329845 /nfs/dbraw/zinc/32/98/45/608329845.db2.gz BCNYWCIUXFVMHX-OAHLLOKOSA-N -1 3 381.396 0.179 20 0 GCADHM NC(=O)N[C@H](CO)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826391775 608329846 /nfs/dbraw/zinc/32/98/46/608329846.db2.gz BCNYWCIUXFVMHX-OAHLLOKOSA-N -1 3 381.396 0.179 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826390026 608333710 /nfs/dbraw/zinc/33/37/10/608333710.db2.gz OEBRLOUEQIUXOE-SKDRFNHKSA-N -1 3 382.421 0.469 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826390026 608333712 /nfs/dbraw/zinc/33/37/12/608333712.db2.gz OEBRLOUEQIUXOE-SKDRFNHKSA-N -1 3 382.421 0.469 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NC[C@@H](O)C1CCOCC1 ZINC000826486177 608335032 /nfs/dbraw/zinc/33/50/32/608335032.db2.gz RRMGUJYIOFFTAH-CQSZACIVSA-N -1 3 385.421 0.213 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NC[C@H](O)COCC1CC1 ZINC000826485679 608335136 /nfs/dbraw/zinc/33/51/36/608335136.db2.gz AENROYUJSPUWOZ-ZDUSSCGKSA-N -1 3 385.421 0.213 20 0 GCADHM Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826329323 608337883 /nfs/dbraw/zinc/33/78/83/608337883.db2.gz YKIJQNOIHWQIQO-CYBMUJFWSA-N -1 3 392.420 0.860 20 0 GCADHM COCCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000826157251 608337914 /nfs/dbraw/zinc/33/79/14/608337914.db2.gz MZIKCQURNHYCKJ-LLVKDONJSA-N -1 3 398.420 0.673 20 0 GCADHM COCCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000826157251 608337916 /nfs/dbraw/zinc/33/79/16/608337916.db2.gz MZIKCQURNHYCKJ-LLVKDONJSA-N -1 3 398.420 0.673 20 0 GCADHM C[C@H](CCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)[S@](C)=O ZINC000824400433 608338444 /nfs/dbraw/zinc/33/84/44/608338444.db2.gz HVJLHNYEDKMMHA-WBNWAKSLSA-N -1 3 375.451 0.582 20 0 GCADHM C[C@H](CCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)[S@](C)=O ZINC000824400433 608338446 /nfs/dbraw/zinc/33/84/46/608338446.db2.gz HVJLHNYEDKMMHA-WBNWAKSLSA-N -1 3 375.451 0.582 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826389662 608339607 /nfs/dbraw/zinc/33/96/07/608339607.db2.gz DUKBJCLMJJOKHT-OCCSQVGLSA-N -1 3 396.448 0.859 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826389662 608339609 /nfs/dbraw/zinc/33/96/09/608339609.db2.gz DUKBJCLMJJOKHT-OCCSQVGLSA-N -1 3 396.448 0.859 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NCCCO[C@@H]1CCOC1 ZINC000826486198 608339974 /nfs/dbraw/zinc/33/99/74/608339974.db2.gz SRLQDDJXBHBCOJ-CYBMUJFWSA-N -1 3 385.421 0.621 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCCO[C@@H]1CCOC1 ZINC000826486198 608339977 /nfs/dbraw/zinc/33/99/77/608339977.db2.gz SRLQDDJXBHBCOJ-CYBMUJFWSA-N -1 3 385.421 0.621 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NCCCO[C@H]1CCOC1 ZINC000826486199 608340118 /nfs/dbraw/zinc/34/01/18/608340118.db2.gz SRLQDDJXBHBCOJ-ZDUSSCGKSA-N -1 3 385.421 0.621 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCCO[C@H]1CCOC1 ZINC000826486199 608340120 /nfs/dbraw/zinc/34/01/20/608340120.db2.gz SRLQDDJXBHBCOJ-ZDUSSCGKSA-N -1 3 385.421 0.621 20 0 GCADHM C[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CN(C)CCO1 ZINC000824633933 608340240 /nfs/dbraw/zinc/34/02/40/608340240.db2.gz RWQDJQNSMSMFIL-HZMBPMFUSA-N -1 3 384.437 0.144 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824469834 608340264 /nfs/dbraw/zinc/34/02/64/608340264.db2.gz CXDKXRBNLGIRCU-VIFPVBQESA-N -1 3 397.370 0.921 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824469834 608340266 /nfs/dbraw/zinc/34/02/66/608340266.db2.gz CXDKXRBNLGIRCU-VIFPVBQESA-N -1 3 397.370 0.921 20 0 GCADHM CCOC(=O)c1cc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cn1C ZINC000825560675 608340864 /nfs/dbraw/zinc/34/08/64/608340864.db2.gz VOVUBLHTWAAYJJ-UHFFFAOYSA-N -1 3 397.395 0.637 20 0 GCADHM CCOC(=O)c1cc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cn1C ZINC000825560675 608340866 /nfs/dbraw/zinc/34/08/66/608340866.db2.gz VOVUBLHTWAAYJJ-UHFFFAOYSA-N -1 3 397.395 0.637 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825659125 608341011 /nfs/dbraw/zinc/34/10/11/608341011.db2.gz ONQLAXROBURPEL-SECBINFHSA-N -1 3 391.450 0.248 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825659125 608341012 /nfs/dbraw/zinc/34/10/12/608341012.db2.gz ONQLAXROBURPEL-SECBINFHSA-N -1 3 391.450 0.248 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ccc2nccn2c1 ZINC000826437991 608341308 /nfs/dbraw/zinc/34/13/08/608341308.db2.gz JBFNDSJHUSNCGV-UHFFFAOYSA-N -1 3 392.383 0.076 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ccc2nccn2c1 ZINC000826437991 608341310 /nfs/dbraw/zinc/34/13/10/608341310.db2.gz JBFNDSJHUSNCGV-UHFFFAOYSA-N -1 3 392.383 0.076 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826308469 608341393 /nfs/dbraw/zinc/34/13/93/608341393.db2.gz ASSFBJMARJIDQC-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826308469 608341395 /nfs/dbraw/zinc/34/13/95/608341395.db2.gz ASSFBJMARJIDQC-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM CCC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1CCOC ZINC000825261437 608342315 /nfs/dbraw/zinc/34/23/15/608342315.db2.gz ZETRQHXBFOYHEG-CQSZACIVSA-N -1 3 394.501 0.988 20 0 GCADHM CCC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1CCOC ZINC000825261437 608342316 /nfs/dbraw/zinc/34/23/16/608342316.db2.gz ZETRQHXBFOYHEG-CQSZACIVSA-N -1 3 394.501 0.988 20 0 GCADHM CCC[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCN1CCOC ZINC000825261148 608342808 /nfs/dbraw/zinc/34/28/08/608342808.db2.gz VFKOMLOWEPJIKI-OAHLLOKOSA-N -1 3 394.501 0.988 20 0 GCADHM CCC[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCN1CCOC ZINC000825261148 608342809 /nfs/dbraw/zinc/34/28/09/608342809.db2.gz VFKOMLOWEPJIKI-OAHLLOKOSA-N -1 3 394.501 0.988 20 0 GCADHM O=S(=O)(N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826487681 608344866 /nfs/dbraw/zinc/34/48/66/608344866.db2.gz WNRIUUGYSIDSJQ-CQSZACIVSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(N[C@@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826487681 608344868 /nfs/dbraw/zinc/34/48/68/608344868.db2.gz WNRIUUGYSIDSJQ-CQSZACIVSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(N[C@@H](CO)Cc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826487505 608345231 /nfs/dbraw/zinc/34/52/31/608345231.db2.gz QGWKRBZCCPZOFX-CQSZACIVSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(N[C@@H](CO)Cc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826487505 608345232 /nfs/dbraw/zinc/34/52/32/608345232.db2.gz QGWKRBZCCPZOFX-CQSZACIVSA-N -1 3 377.401 0.888 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1cn(C)c(=O)n(C)c1=O ZINC000826171190 608346568 /nfs/dbraw/zinc/34/65/68/608346568.db2.gz GPJNRXRUBIZGPB-SREVYHEPSA-N -1 3 398.379 0.029 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1cn(C)c(=O)n(C)c1=O ZINC000826171190 608346569 /nfs/dbraw/zinc/34/65/69/608346569.db2.gz GPJNRXRUBIZGPB-SREVYHEPSA-N -1 3 398.379 0.029 20 0 GCADHM COCCCOC1CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826156493 608352218 /nfs/dbraw/zinc/35/22/18/608352218.db2.gz GHHRCWBWVAZIIP-UHFFFAOYSA-N -1 3 376.421 0.121 20 0 GCADHM COCCCOC1CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826156493 608352219 /nfs/dbraw/zinc/35/22/19/608352219.db2.gz GHHRCWBWVAZIIP-UHFFFAOYSA-N -1 3 376.421 0.121 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCc3nccn3C2)n1 ZINC000824148534 608352606 /nfs/dbraw/zinc/35/26/06/608352606.db2.gz YVJWXCKUNUTZIH-JTQLQIEISA-N -1 3 398.431 0.084 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000826169361 608352819 /nfs/dbraw/zinc/35/28/19/608352819.db2.gz QGAMVEAUBGCHKM-CYBMUJFWSA-N -1 3 385.472 0.660 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000826169361 608352821 /nfs/dbraw/zinc/35/28/21/608352821.db2.gz QGAMVEAUBGCHKM-CYBMUJFWSA-N -1 3 385.472 0.660 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826308632 608355371 /nfs/dbraw/zinc/35/53/71/608355371.db2.gz INPQAJBBHAAOHJ-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826308632 608355373 /nfs/dbraw/zinc/35/53/73/608355373.db2.gz INPQAJBBHAAOHJ-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)n1 ZINC000824148265 608357704 /nfs/dbraw/zinc/35/77/04/608357704.db2.gz QLJSQHITPBCULR-JTQLQIEISA-N -1 3 398.431 0.154 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1O ZINC000824967608 608359576 /nfs/dbraw/zinc/35/95/76/608359576.db2.gz LGOOZPJERAJLOB-RDDDGLTNSA-N -1 3 384.318 0.663 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H]1O ZINC000824967608 608359579 /nfs/dbraw/zinc/35/95/79/608359579.db2.gz LGOOZPJERAJLOB-RDDDGLTNSA-N -1 3 384.318 0.663 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cccc1-c1nn[n-]n1 ZINC000826240569 608360296 /nfs/dbraw/zinc/36/02/96/608360296.db2.gz AGDOSFHWQKMPTE-CVEARBPZSA-N -1 3 399.455 0.171 20 0 GCADHM C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824406959 608360595 /nfs/dbraw/zinc/36/05/95/608360595.db2.gz TWNLYXMDSGMLPT-IWHNICOQSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824406959 608360597 /nfs/dbraw/zinc/36/05/97/608360597.db2.gz TWNLYXMDSGMLPT-IWHNICOQSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824406469 608360845 /nfs/dbraw/zinc/36/08/45/608360845.db2.gz KVVODTAJLHWRLK-SRENCEJNSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824406469 608360847 /nfs/dbraw/zinc/36/08/47/608360847.db2.gz KVVODTAJLHWRLK-SRENCEJNSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824406468 608360915 /nfs/dbraw/zinc/36/09/15/608360915.db2.gz KVVODTAJLHWRLK-NRYVIMAVSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824406468 608360918 /nfs/dbraw/zinc/36/09/18/608360918.db2.gz KVVODTAJLHWRLK-NRYVIMAVSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824406543 608360957 /nfs/dbraw/zinc/36/09/57/608360957.db2.gz MMIBEFKJFNEZOA-SRENCEJNSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824406543 608360958 /nfs/dbraw/zinc/36/09/58/608360958.db2.gz MMIBEFKJFNEZOA-SRENCEJNSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824406540 608360986 /nfs/dbraw/zinc/36/09/86/608360986.db2.gz MMIBEFKJFNEZOA-HUVZLPTESA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824406540 608360988 /nfs/dbraw/zinc/36/09/88/608360988.db2.gz MMIBEFKJFNEZOA-HUVZLPTESA-N -1 3 384.849 0.732 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)O1 ZINC000824811773 608361143 /nfs/dbraw/zinc/36/11/43/608361143.db2.gz BVJLFIWIYJQMNR-SECBINFHSA-N -1 3 380.792 0.726 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)O1 ZINC000824811773 608361144 /nfs/dbraw/zinc/36/11/44/608361144.db2.gz BVJLFIWIYJQMNR-SECBINFHSA-N -1 3 380.792 0.726 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N1CCCC2(C1)OCCO2 ZINC000826453605 608361868 /nfs/dbraw/zinc/36/18/68/608361868.db2.gz RDEJUFRSGTZOHF-UHFFFAOYSA-N -1 3 392.803 0.824 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N1CCCC2(C1)OCCO2 ZINC000826453605 608361870 /nfs/dbraw/zinc/36/18/70/608361870.db2.gz RDEJUFRSGTZOHF-UHFFFAOYSA-N -1 3 392.803 0.824 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)CC[S@@](C)=O ZINC000825620574 608362028 /nfs/dbraw/zinc/36/20/28/608362028.db2.gz DWGJWBSBAALIKO-FLESLCNUSA-N -1 3 394.457 0.477 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)CC[S@@](C)=O ZINC000825620574 608362030 /nfs/dbraw/zinc/36/20/30/608362030.db2.gz DWGJWBSBAALIKO-FLESLCNUSA-N -1 3 394.457 0.477 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCCC2(C1)OCCO2 ZINC000826451297 608362104 /nfs/dbraw/zinc/36/21/04/608362104.db2.gz ZSMIDNMHBLXCKB-UHFFFAOYSA-N -1 3 392.803 0.824 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCCC2(C1)OCCO2 ZINC000826451297 608362106 /nfs/dbraw/zinc/36/21/06/608362106.db2.gz ZSMIDNMHBLXCKB-UHFFFAOYSA-N -1 3 392.803 0.824 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000825200716 608362324 /nfs/dbraw/zinc/36/23/24/608362324.db2.gz BYHHZVSABHJVPL-CJNGLKHVSA-N -1 3 399.455 0.374 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000825200716 608362326 /nfs/dbraw/zinc/36/23/26/608362326.db2.gz BYHHZVSABHJVPL-CJNGLKHVSA-N -1 3 399.455 0.374 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000826276965 608362820 /nfs/dbraw/zinc/36/28/20/608362820.db2.gz DWVFYFNOLRODEA-CJNGLKHVSA-N -1 3 399.455 0.293 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000826276965 608362822 /nfs/dbraw/zinc/36/28/22/608362822.db2.gz DWVFYFNOLRODEA-CJNGLKHVSA-N -1 3 399.455 0.293 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000825202841 608362903 /nfs/dbraw/zinc/36/29/03/608362903.db2.gz LNCRPRMFJXWYFV-CJNGLKHVSA-N -1 3 399.455 0.374 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000825202841 608362905 /nfs/dbraw/zinc/36/29/05/608362905.db2.gz LNCRPRMFJXWYFV-CJNGLKHVSA-N -1 3 399.455 0.374 20 0 GCADHM COCCCOCCN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826156612 608364817 /nfs/dbraw/zinc/36/48/17/608364817.db2.gz MBKVDTWGLMLLEA-UHFFFAOYSA-N -1 3 380.380 0.456 20 0 GCADHM COCCCOCCN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826156612 608364819 /nfs/dbraw/zinc/36/48/19/608364819.db2.gz MBKVDTWGLMLLEA-UHFFFAOYSA-N -1 3 380.380 0.456 20 0 GCADHM COCCCOCCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000826156761 608364832 /nfs/dbraw/zinc/36/48/32/608364832.db2.gz SCMWBCISZUZTKJ-UHFFFAOYSA-N -1 3 392.416 0.325 20 0 GCADHM COCCCOCCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000826156761 608364834 /nfs/dbraw/zinc/36/48/34/608364834.db2.gz SCMWBCISZUZTKJ-UHFFFAOYSA-N -1 3 392.416 0.325 20 0 GCADHM Cc1noc(C2CCN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)CC2)n1 ZINC000826339680 608371627 /nfs/dbraw/zinc/37/16/27/608371627.db2.gz ODAAJGLOGHMWMZ-UHFFFAOYSA-N -1 3 390.429 0.590 20 0 GCADHM Cc1noc(C2CCN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)CC2)n1 ZINC000826339680 608371630 /nfs/dbraw/zinc/37/16/30/608371630.db2.gz ODAAJGLOGHMWMZ-UHFFFAOYSA-N -1 3 390.429 0.590 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000826159106 608373524 /nfs/dbraw/zinc/37/35/24/608373524.db2.gz QUFGFRDLAMWOON-AWEZNQCLSA-N -1 3 381.458 0.511 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000826159106 608373526 /nfs/dbraw/zinc/37/35/26/608373526.db2.gz QUFGFRDLAMWOON-AWEZNQCLSA-N -1 3 381.458 0.511 20 0 GCADHM CCCn1cc(C(=O)O[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)nn1 ZINC000825356997 608380299 /nfs/dbraw/zinc/38/02/99/608380299.db2.gz UEGUPNVLYHXPCE-LLVKDONJSA-N -1 3 388.413 0.892 20 0 GCADHM CCCn1cc(C(=O)O[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)nn1 ZINC000825356997 608380301 /nfs/dbraw/zinc/38/03/01/608380301.db2.gz UEGUPNVLYHXPCE-LLVKDONJSA-N -1 3 388.413 0.892 20 0 GCADHM CCCn1cc(C(=O)O[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)nn1 ZINC000825356998 608380667 /nfs/dbraw/zinc/38/06/67/608380667.db2.gz UEGUPNVLYHXPCE-NSHDSACASA-N -1 3 388.413 0.892 20 0 GCADHM CCCn1cc(C(=O)O[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)nn1 ZINC000825356998 608380669 /nfs/dbraw/zinc/38/06/69/608380669.db2.gz UEGUPNVLYHXPCE-NSHDSACASA-N -1 3 388.413 0.892 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824104594 608388287 /nfs/dbraw/zinc/38/82/87/608388287.db2.gz VHKRFMPACNXSKP-GFCCVEGCSA-N -1 3 388.432 0.799 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824104594 608388289 /nfs/dbraw/zinc/38/82/89/608388289.db2.gz VHKRFMPACNXSKP-GFCCVEGCSA-N -1 3 388.432 0.799 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825465171 608388438 /nfs/dbraw/zinc/38/84/38/608388438.db2.gz IYHWIZFISCPPJU-QGZVFWFLSA-N -1 3 385.472 0.626 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825465171 608388440 /nfs/dbraw/zinc/38/84/40/608388440.db2.gz IYHWIZFISCPPJU-QGZVFWFLSA-N -1 3 385.472 0.626 20 0 GCADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SC[C@@H]2CC(C(=O)OC)=NO2)n1 ZINC000825558995 608395568 /nfs/dbraw/zinc/39/55/68/608395568.db2.gz AKRMMAFACRTEMT-QMMMGPOBSA-N -1 3 392.397 0.848 20 0 GCADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SC[C@@H]2CC(C(=O)OC)=NO2)n1 ZINC000825558995 608395570 /nfs/dbraw/zinc/39/55/70/608395570.db2.gz AKRMMAFACRTEMT-QMMMGPOBSA-N -1 3 392.397 0.848 20 0 GCADHM C[C@H](CN1CCOCC1)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000824419665 608402021 /nfs/dbraw/zinc/40/20/21/608402021.db2.gz BJPGNSCLLDJSCL-CYBMUJFWSA-N -1 3 388.476 0.575 20 0 GCADHM C[C@H](CN1CCOCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824419665 608402023 /nfs/dbraw/zinc/40/20/23/608402023.db2.gz BJPGNSCLLDJSCL-CYBMUJFWSA-N -1 3 388.476 0.575 20 0 GCADHM O=C(COc1cccc2c1NC(=O)CO2)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826418549 608403161 /nfs/dbraw/zinc/40/31/61/608403161.db2.gz LTPNYZXWOYPCJF-UHFFFAOYSA-N -1 3 380.364 0.893 20 0 GCADHM O=C(COc1cccc2c1NC(=O)CO2)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826418549 608403163 /nfs/dbraw/zinc/40/31/63/608403163.db2.gz LTPNYZXWOYPCJF-UHFFFAOYSA-N -1 3 380.364 0.893 20 0 GCADHM O=C(COc1cccc2c1NC(=O)CO2)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826418660 608403258 /nfs/dbraw/zinc/40/32/58/608403258.db2.gz QJSYOYZRXDBUIM-UHFFFAOYSA-N -1 3 380.364 0.893 20 0 GCADHM O=C(COc1cccc2c1NC(=O)CO2)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826418660 608403260 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/nfs/dbraw/zinc/67/53/78/608675378.db2.gz QIJRVUUNGLHFGF-UHFFFAOYSA-N -1 3 378.444 0.566 20 0 GCADHM Cn1cc(CN2CCN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)cn1 ZINC000826361236 608675379 /nfs/dbraw/zinc/67/53/79/608675379.db2.gz QIJRVUUNGLHFGF-UHFFFAOYSA-N -1 3 378.444 0.566 20 0 GCADHM Cn1cc(N2CCN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2=O)cn1 ZINC000826362440 608714926 /nfs/dbraw/zinc/71/49/26/608714926.db2.gz SEMFMLHORDSKRN-UHFFFAOYSA-N -1 3 378.400 0.097 20 0 GCADHM Cn1cc(N2CCN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2=O)cn1 ZINC000826362440 608714929 /nfs/dbraw/zinc/71/49/29/608714929.db2.gz SEMFMLHORDSKRN-UHFFFAOYSA-N -1 3 378.400 0.097 20 0 GCADHM Cc1nsc(N2CCN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)n1 ZINC000826340105 608729041 /nfs/dbraw/zinc/72/90/41/608729041.db2.gz HTFHSUQZFHULDB-UHFFFAOYSA-N -1 3 382.457 0.997 20 0 GCADHM Cc1nsc(N2CCN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)n1 ZINC000826340105 608729043 /nfs/dbraw/zinc/72/90/43/608729043.db2.gz HTFHSUQZFHULDB-UHFFFAOYSA-N -1 3 382.457 0.997 20 0 GCADHM COC[C@@H](CCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826150150 608756569 /nfs/dbraw/zinc/75/65/69/608756569.db2.gz XSZQVYQXKNKNME-SECBINFHSA-N -1 3 395.363 0.561 20 0 GCADHM COC[C@@H](CCO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826150150 608756571 /nfs/dbraw/zinc/75/65/71/608756571.db2.gz XSZQVYQXKNKNME-SECBINFHSA-N -1 3 395.363 0.561 20 0 GCADHM O=C(COC(=O)C1(O)CCSCC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826414541 608767189 /nfs/dbraw/zinc/76/71/89/608767189.db2.gz AQGKEZBJBJRZMB-UHFFFAOYSA-N -1 3 377.426 0.284 20 0 GCADHM O=C(COC(=O)C1(O)CCSCC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826414541 608767190 /nfs/dbraw/zinc/76/71/90/608767190.db2.gz AQGKEZBJBJRZMB-UHFFFAOYSA-N -1 3 377.426 0.284 20 0 GCADHM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2cnccc2-c2nnn[n-]2)CCO1 ZINC000826483271 608794694 /nfs/dbraw/zinc/79/46/94/608794694.db2.gz HODNQUDECBKNAE-LBPRGKRZSA-N -1 3 391.391 0.763 20 0 GCADHM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2cnccc2-c2nn[n-]n2)CCO1 ZINC000826483271 608794698 /nfs/dbraw/zinc/79/46/98/608794698.db2.gz HODNQUDECBKNAE-LBPRGKRZSA-N -1 3 391.391 0.763 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000825627309 608808358 /nfs/dbraw/zinc/80/83/58/608808358.db2.gz WYELZMAUURRSGI-ZDUSSCGKSA-N -1 3 391.432 0.080 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825465066 608811663 /nfs/dbraw/zinc/81/16/63/608811663.db2.gz HHHPBWYQTVGIEJ-OAHLLOKOSA-N -1 3 382.428 0.594 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825465066 608811666 /nfs/dbraw/zinc/81/16/66/608811666.db2.gz HHHPBWYQTVGIEJ-OAHLLOKOSA-N -1 3 382.428 0.594 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cccnc1OCC(F)(F)F ZINC000826395842 608821238 /nfs/dbraw/zinc/82/12/38/608821238.db2.gz VDEYHWASRVGLGH-UHFFFAOYSA-N -1 3 398.305 0.839 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cccnc1OCC(F)(F)F ZINC000826395842 608821242 /nfs/dbraw/zinc/82/12/42/608821242.db2.gz VDEYHWASRVGLGH-UHFFFAOYSA-N -1 3 398.305 0.839 20 0 GCADHM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826482253 608824161 /nfs/dbraw/zinc/82/41/61/608824161.db2.gz XQALQXMLPQFRJC-CQSZACIVSA-N -1 3 377.364 0.870 20 0 GCADHM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826482253 608824163 /nfs/dbraw/zinc/82/41/63/608824163.db2.gz XQALQXMLPQFRJC-CQSZACIVSA-N -1 3 377.364 0.870 20 0 GCADHM NC(=O)[C@H]1COCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826389684 608826313 /nfs/dbraw/zinc/82/63/13/608826313.db2.gz FHLPYMPHBSUCSV-MRXNPFEDSA-N -1 3 393.407 0.937 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)(C(=O)OC)CC1 ZINC000826134153 608826345 /nfs/dbraw/zinc/82/63/45/608826345.db2.gz SWSFIDIPXZKBGE-UHFFFAOYSA-N -1 3 376.373 0.200 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)(C(=O)OC)CC1 ZINC000826134153 608826346 /nfs/dbraw/zinc/82/63/46/608826346.db2.gz SWSFIDIPXZKBGE-UHFFFAOYSA-N -1 3 376.373 0.200 20 0 GCADHM NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826389768 608826362 /nfs/dbraw/zinc/82/63/62/608826362.db2.gz HXFSSSOFLGQWRZ-AWEZNQCLSA-N -1 3 395.379 0.380 20 0 GCADHM NC(=O)[C@@H]1COCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826389768 608826364 /nfs/dbraw/zinc/82/63/64/608826364.db2.gz HXFSSSOFLGQWRZ-AWEZNQCLSA-N -1 3 395.379 0.380 20 0 GCADHM C[C@]1(CCC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCC(=O)N1 ZINC000824816308 608873119 /nfs/dbraw/zinc/87/31/19/608873119.db2.gz BCWVFYFBQGYCBO-GOSISDBHSA-N -1 3 384.444 0.359 20 0 GCADHM C[C@]1(CCC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCC(=O)N1 ZINC000824816308 608873120 /nfs/dbraw/zinc/87/31/20/608873120.db2.gz BCWVFYFBQGYCBO-GOSISDBHSA-N -1 3 384.444 0.359 20 0 GCADHM COc1ccc(CN2CCCN(C(=O)Cn3ccnc3-c3nnn[n-]3)CC2)cc1 ZINC000826194392 608887288 /nfs/dbraw/zinc/88/72/88/608887288.db2.gz KVABWWIGCYCAQK-UHFFFAOYSA-N -1 3 396.455 0.806 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)n1cncn1 ZINC000824039329 609133817 /nfs/dbraw/zinc/13/38/17/609133817.db2.gz DGRYJKZUMIODCN-BXUZGUMPSA-N -1 3 381.400 0.331 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)n1cncn1 ZINC000824039329 609133818 /nfs/dbraw/zinc/13/38/18/609133818.db2.gz DGRYJKZUMIODCN-BXUZGUMPSA-N -1 3 381.400 0.331 20 0 GCADHM Cn1cc(C(=O)C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826358496 609134212 /nfs/dbraw/zinc/13/42/12/609134212.db2.gz WOCXGGRWZDSCJK-AWEZNQCLSA-N -1 3 394.395 0.095 20 0 GCADHM Cn1cc(C(=O)C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826358496 609134214 /nfs/dbraw/zinc/13/42/14/609134214.db2.gz WOCXGGRWZDSCJK-AWEZNQCLSA-N -1 3 394.395 0.095 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nnn1C ZINC000826234244 609134274 /nfs/dbraw/zinc/13/42/74/609134274.db2.gz NXLSASNGELUTKN-CYBMUJFWSA-N -1 3 381.400 0.229 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nnn1C ZINC000826234244 609134276 /nfs/dbraw/zinc/13/42/76/609134276.db2.gz NXLSASNGELUTKN-CYBMUJFWSA-N -1 3 381.400 0.229 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1C ZINC000826259063 609134453 /nfs/dbraw/zinc/13/44/53/609134453.db2.gz GGIHKFAVQCTERF-CQSZACIVSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1C ZINC000826259063 609134454 /nfs/dbraw/zinc/13/44/54/609134454.db2.gz GGIHKFAVQCTERF-CQSZACIVSA-N -1 3 380.412 0.834 20 0 GCADHM Cn1cc(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826358497 609134498 /nfs/dbraw/zinc/13/44/98/609134498.db2.gz WOCXGGRWZDSCJK-CQSZACIVSA-N -1 3 394.395 0.095 20 0 GCADHM Cn1cc(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826358497 609134499 /nfs/dbraw/zinc/13/44/99/609134499.db2.gz WOCXGGRWZDSCJK-CQSZACIVSA-N -1 3 394.395 0.095 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1CCC(=O)NC1 ZINC000826480280 609134788 /nfs/dbraw/zinc/13/47/88/609134788.db2.gz WOQAADKILCVTSZ-OCCSQVGLSA-N -1 3 383.412 0.005 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1CCC(=O)NC1 ZINC000826480280 609134790 /nfs/dbraw/zinc/13/47/90/609134790.db2.gz WOQAADKILCVTSZ-OCCSQVGLSA-N -1 3 383.412 0.005 20 0 GCADHM Cc1nccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826330464 609136053 /nfs/dbraw/zinc/13/60/53/609136053.db2.gz VLSROHGHGSMJSF-OAHLLOKOSA-N -1 3 378.396 0.891 20 0 GCADHM Cc1nccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826330464 609136054 /nfs/dbraw/zinc/13/60/54/609136054.db2.gz VLSROHGHGSMJSF-OAHLLOKOSA-N -1 3 378.396 0.891 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826355239 609136138 /nfs/dbraw/zinc/13/61/38/609136138.db2.gz PUTDNYVDQAORBS-AWEZNQCLSA-N -1 3 393.407 0.491 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826355239 609136140 /nfs/dbraw/zinc/13/61/40/609136140.db2.gz PUTDNYVDQAORBS-AWEZNQCLSA-N -1 3 393.407 0.491 20 0 GCADHM Cn1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1=O ZINC000826362889 609136159 /nfs/dbraw/zinc/13/61/59/609136159.db2.gz NEXRWQQYHSGJHS-HNNXBMFYSA-N -1 3 393.407 0.491 20 0 GCADHM Cn1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1=O ZINC000826362889 609136161 /nfs/dbraw/zinc/13/61/61/609136161.db2.gz NEXRWQQYHSGJHS-HNNXBMFYSA-N -1 3 393.407 0.491 20 0 GCADHM Cc1cc(C(=O)NCCN2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258904 609140934 /nfs/dbraw/zinc/14/09/34/609140934.db2.gz AVXFRUFUVWXXGH-UHFFFAOYSA-N -1 3 382.428 0.423 20 0 GCADHM Cc1cc(C(=O)NCCN2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258904 609140936 /nfs/dbraw/zinc/14/09/36/609140936.db2.gz AVXFRUFUVWXXGH-UHFFFAOYSA-N -1 3 382.428 0.423 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@@H]2C(N)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257710 609141126 /nfs/dbraw/zinc/14/11/26/609141126.db2.gz MRSARIHJFGAOSW-OAHLLOKOSA-N -1 3 380.412 0.841 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@@H]2C(N)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257710 609141128 /nfs/dbraw/zinc/14/11/28/609141128.db2.gz MRSARIHJFGAOSW-OAHLLOKOSA-N -1 3 380.412 0.841 20 0 GCADHM COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C(=O)OC)C1 ZINC000826133733 609144235 /nfs/dbraw/zinc/14/42/35/609144235.db2.gz OQPABMPDJQHBNB-RBSFLKMASA-N -1 3 389.412 0.327 20 0 GCADHM COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C(=O)OC)C1 ZINC000826133733 609144238 /nfs/dbraw/zinc/14/42/38/609144238.db2.gz OQPABMPDJQHBNB-RBSFLKMASA-N -1 3 389.412 0.327 20 0 GCADHM COC(=O)[C@H]1CCN(CCOc2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)OC)C1 ZINC000826133071 609144318 /nfs/dbraw/zinc/14/43/18/609144318.db2.gz JNZLUEDDPXKHRI-ZFWWWQNUSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2F)[C@@H](C(=O)OC)C1 ZINC000826132170 609144584 /nfs/dbraw/zinc/14/45/84/609144584.db2.gz BMYCNKNUEAUQCC-ZWNOBZJWSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2F)[C@@H](C(=O)OC)C1 ZINC000826132170 609144586 /nfs/dbraw/zinc/14/45/86/609144586.db2.gz BMYCNKNUEAUQCC-ZWNOBZJWSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(CCOc2cccc(-c3nnn[n-]3)c2)[C@H](C(=O)OC)C1 ZINC000826133350 609144638 /nfs/dbraw/zinc/14/46/38/609144638.db2.gz LTGOTCFBPLWJDK-HIFRSBDPSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@@H]1CCN(CCOc2cccc(-c3nn[n-]n3)c2)[C@H](C(=O)OC)C1 ZINC000826133350 609144639 /nfs/dbraw/zinc/14/46/39/609144639.db2.gz LTGOTCFBPLWJDK-HIFRSBDPSA-N -1 3 389.412 0.672 20 0 GCADHM CC(C)N1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000824300300 609148610 /nfs/dbraw/zinc/14/86/10/609148610.db2.gz FCNJSWFFLZHLEX-UHFFFAOYSA-N -1 3 378.458 0.193 20 0 GCADHM CC(C)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000824300300 609148612 /nfs/dbraw/zinc/14/86/12/609148612.db2.gz FCNJSWFFLZHLEX-UHFFFAOYSA-N -1 3 378.458 0.193 20 0 GCADHM Cc1cc(C(=O)NCCCN2CCOC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259447 609154042 /nfs/dbraw/zinc/15/40/42/609154042.db2.gz SQHDMVJLIYODNL-UHFFFAOYSA-N -1 3 396.411 0.933 20 0 GCADHM Cc1cc(C(=O)NCCCN2CCOC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259447 609154045 /nfs/dbraw/zinc/15/40/45/609154045.db2.gz SQHDMVJLIYODNL-UHFFFAOYSA-N -1 3 396.411 0.933 20 0 GCADHM Cn1ccc(NC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826363620 609157438 /nfs/dbraw/zinc/15/74/38/609157438.db2.gz VDGOKZRUBRFEOO-ZDUSSCGKSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1ccc(NC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826363620 609157439 /nfs/dbraw/zinc/15/74/39/609157439.db2.gz VDGOKZRUBRFEOO-ZDUSSCGKSA-N -1 3 381.400 0.917 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCCCOCCO)cc1-c1nnn[n-]1 ZINC000825538836 609161613 /nfs/dbraw/zinc/16/16/13/609161613.db2.gz KSWBEQIVQQNGIJ-UHFFFAOYSA-N -1 3 393.404 0.956 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCCCOCCO)cc1-c1nn[n-]n1 ZINC000825538836 609161614 /nfs/dbraw/zinc/16/16/14/609161614.db2.gz KSWBEQIVQQNGIJ-UHFFFAOYSA-N -1 3 393.404 0.956 20 0 GCADHM Cc1cc(C(=O)NCc2cc(C(N)=O)no2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260035 609161842 /nfs/dbraw/zinc/16/18/42/609161842.db2.gz SFOLOINAQMHUKQ-UHFFFAOYSA-N -1 3 393.367 0.378 20 0 GCADHM Cc1cc(C(=O)NCc2cc(C(N)=O)no2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260035 609161844 /nfs/dbraw/zinc/16/18/44/609161844.db2.gz SFOLOINAQMHUKQ-UHFFFAOYSA-N -1 3 393.367 0.378 20 0 GCADHM CCOC(=O)c1c(NC(=O)COC(C)C)c(-c2nnn[n-]2)cn1CCOC ZINC000825559591 609169100 /nfs/dbraw/zinc/16/91/00/609169100.db2.gz INNNXRLKGRITRZ-UHFFFAOYSA-N -1 3 380.405 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)COC(C)C)c(-c2nn[n-]n2)cn1CCOC ZINC000825559591 609169101 /nfs/dbraw/zinc/16/91/01/609169101.db2.gz INNNXRLKGRITRZ-UHFFFAOYSA-N -1 3 380.405 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H](C)COC)c(-c2nnn[n-]2)cn1CCOC ZINC000825559573 609169461 /nfs/dbraw/zinc/16/94/61/609169461.db2.gz HUODIVRLJVBRIC-SNVBAGLBSA-N -1 3 380.405 0.712 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H](C)COC)c(-c2nn[n-]n2)cn1CCOC ZINC000825559573 609169463 /nfs/dbraw/zinc/16/94/63/609169463.db2.gz HUODIVRLJVBRIC-SNVBAGLBSA-N -1 3 380.405 0.712 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000825476923 609178685 /nfs/dbraw/zinc/17/86/85/609178685.db2.gz YWGVRFVBUALWFY-AWEZNQCLSA-N -1 3 386.460 0.838 20 0 GCADHM CCOC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825523999 609178748 /nfs/dbraw/zinc/17/87/48/609178748.db2.gz YDRRLZQKZPVZRI-ZDUSSCGKSA-N -1 3 387.400 0.224 20 0 GCADHM CCOC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825523999 609178750 /nfs/dbraw/zinc/17/87/50/609178750.db2.gz YDRRLZQKZPVZRI-ZDUSSCGKSA-N -1 3 387.400 0.224 20 0 GCADHM O=C(CNCC(F)(F)F)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826412494 609179214 /nfs/dbraw/zinc/17/92/14/609179214.db2.gz PYCJWTLLCWANER-LBPRGKRZSA-N -1 3 397.361 0.630 20 0 GCADHM O=C(CNCC(F)(F)F)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826412494 609179215 /nfs/dbraw/zinc/17/92/15/609179215.db2.gz PYCJWTLLCWANER-LBPRGKRZSA-N -1 3 397.361 0.630 20 0 GCADHM CCc1nnc2n1C[C@@H](NC(=O)NCc1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC000825771066 609180116 /nfs/dbraw/zinc/18/01/16/609180116.db2.gz IASQFLDCCZSUGR-LBPRGKRZSA-N -1 3 385.407 0.974 20 0 GCADHM CCc1nnc2n1C[C@@H](NC(=O)NCc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC000825771066 609180119 /nfs/dbraw/zinc/18/01/19/609180119.db2.gz IASQFLDCCZSUGR-LBPRGKRZSA-N -1 3 385.407 0.974 20 0 GCADHM CC[C@H](CCO)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825114571 609180170 /nfs/dbraw/zinc/18/01/70/609180170.db2.gz NZIFJWUMUUGSJW-UKRRQHHQSA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@H](CCO)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825114571 609180171 /nfs/dbraw/zinc/18/01/71/609180171.db2.gz NZIFJWUMUUGSJW-UKRRQHHQSA-N -1 3 387.444 0.822 20 0 GCADHM CCc1nnc2n1C[C@H](NC(=O)NCc1ccc(OC)c(-c3nnn[n-]3)c1)CC2 ZINC000825771908 609181919 /nfs/dbraw/zinc/18/19/19/609181919.db2.gz VDWYCIIDCPLOKG-GFCCVEGCSA-N -1 3 397.443 0.843 20 0 GCADHM CCc1nnc2n1C[C@H](NC(=O)NCc1ccc(OC)c(-c3nn[n-]n3)c1)CC2 ZINC000825771908 609181921 /nfs/dbraw/zinc/18/19/21/609181921.db2.gz VDWYCIIDCPLOKG-GFCCVEGCSA-N -1 3 397.443 0.843 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826491065 609183107 /nfs/dbraw/zinc/18/31/07/609183107.db2.gz RYQSWASHNPKBGS-SNVBAGLBSA-N -1 3 399.404 0.206 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826491065 609183109 /nfs/dbraw/zinc/18/31/09/609183109.db2.gz RYQSWASHNPKBGS-SNVBAGLBSA-N -1 3 399.404 0.206 20 0 GCADHM CCOCCOC1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000825599021 609183545 /nfs/dbraw/zinc/18/35/45/609183545.db2.gz GAZIDJXHMLAZPM-UHFFFAOYSA-N -1 3 389.384 0.571 20 0 GCADHM CCOCCOC1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000825599021 609183547 /nfs/dbraw/zinc/18/35/47/609183547.db2.gz GAZIDJXHMLAZPM-UHFFFAOYSA-N -1 3 389.384 0.571 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000826398303 609188399 /nfs/dbraw/zinc/18/83/99/609188399.db2.gz UKJDOXAIUWHSGD-KRWDZBQOSA-N -1 3 379.424 0.640 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000826398303 609188400 /nfs/dbraw/zinc/18/84/00/609188400.db2.gz UKJDOXAIUWHSGD-KRWDZBQOSA-N -1 3 379.424 0.640 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826392862 609188425 /nfs/dbraw/zinc/18/84/25/609188425.db2.gz PWDFULAGSHBRFY-HOTGVXAUSA-N -1 3 378.392 0.339 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826392862 609188426 /nfs/dbraw/zinc/18/84/26/609188426.db2.gz PWDFULAGSHBRFY-HOTGVXAUSA-N -1 3 378.392 0.339 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826430951 609189351 /nfs/dbraw/zinc/18/93/51/609189351.db2.gz NWPXJPWZDUHTKQ-INIZCTEOSA-N -1 3 396.407 0.914 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826430951 609189353 /nfs/dbraw/zinc/18/93/53/609189353.db2.gz NWPXJPWZDUHTKQ-INIZCTEOSA-N -1 3 396.407 0.914 20 0 GCADHM O=C(NCc1ccc(N2CCOCC2)nc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442509 609189652 /nfs/dbraw/zinc/18/96/52/609189652.db2.gz YCNMIGXGDIBGLJ-QGZVFWFLSA-N -1 3 395.423 0.448 20 0 GCADHM O=C(NCc1ccc(N2CCOCC2)nc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442509 609189653 /nfs/dbraw/zinc/18/96/53/609189653.db2.gz YCNMIGXGDIBGLJ-QGZVFWFLSA-N -1 3 395.423 0.448 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824935480 609193566 /nfs/dbraw/zinc/19/35/66/609193566.db2.gz BOJWYKSMJHDISX-ZDUSSCGKSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824935480 609193567 /nfs/dbraw/zinc/19/35/67/609193567.db2.gz BOJWYKSMJHDISX-ZDUSSCGKSA-N -1 3 386.460 0.354 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826292687 609193675 /nfs/dbraw/zinc/19/36/75/609193675.db2.gz HOGMOXSTHIYFAS-UHFFFAOYSA-N -1 3 375.414 0.212 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826292687 609193677 /nfs/dbraw/zinc/19/36/77/609193677.db2.gz HOGMOXSTHIYFAS-UHFFFAOYSA-N -1 3 375.414 0.212 20 0 GCADHM O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826441648 609194090 /nfs/dbraw/zinc/19/40/90/609194090.db2.gz NXJPFFMPZMEEDE-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826441648 609194092 /nfs/dbraw/zinc/19/40/92/609194092.db2.gz NXJPFFMPZMEEDE-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(Nc1nccs1)[C@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826460649 609194219 /nfs/dbraw/zinc/19/42/19/609194219.db2.gz LWGYYJBJCAMROR-OLZOCXBDSA-N -1 3 399.436 0.986 20 0 GCADHM O=C(Nc1nccs1)[C@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826460649 609194222 /nfs/dbraw/zinc/19/42/22/609194222.db2.gz LWGYYJBJCAMROR-OLZOCXBDSA-N -1 3 399.436 0.986 20 0 GCADHM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826460650 609194353 /nfs/dbraw/zinc/19/43/53/609194353.db2.gz LWGYYJBJCAMROR-QWHCGFSZSA-N -1 3 399.436 0.986 20 0 GCADHM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826460650 609194354 /nfs/dbraw/zinc/19/43/54/609194354.db2.gz LWGYYJBJCAMROR-QWHCGFSZSA-N -1 3 399.436 0.986 20 0 GCADHM O=C(c1ccccn1)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474498 609194388 /nfs/dbraw/zinc/19/43/88/609194388.db2.gz SHKAKFXLINJJGK-MRXNPFEDSA-N -1 3 393.407 0.280 20 0 GCADHM O=C(c1ccccn1)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474498 609194389 /nfs/dbraw/zinc/19/43/89/609194389.db2.gz SHKAKFXLINJJGK-MRXNPFEDSA-N -1 3 393.407 0.280 20 0 GCADHM CCN(CC)C(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825405734 609195677 /nfs/dbraw/zinc/19/56/77/609195677.db2.gz DIXXYLNRMZCDJA-HNNXBMFYSA-N -1 3 387.444 0.506 20 0 GCADHM CCN(CC)C(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825405734 609195678 /nfs/dbraw/zinc/19/56/78/609195678.db2.gz DIXXYLNRMZCDJA-HNNXBMFYSA-N -1 3 387.444 0.506 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825875820 609197921 /nfs/dbraw/zinc/19/79/21/609197921.db2.gz YVJHFDIRVKIEOM-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825875820 609197922 /nfs/dbraw/zinc/19/79/22/609197922.db2.gz YVJHFDIRVKIEOM-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CS(=O)(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826223855 609198335 /nfs/dbraw/zinc/19/83/35/609198335.db2.gz CJVNKICYUFLZJQ-OAHLLOKOSA-N -1 3 387.421 0.620 20 0 GCADHM CS(=O)(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826223855 609198337 /nfs/dbraw/zinc/19/83/37/609198337.db2.gz CJVNKICYUFLZJQ-OAHLLOKOSA-N -1 3 387.421 0.620 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824109882 609199230 /nfs/dbraw/zinc/19/92/30/609199230.db2.gz YFGGOARMUMMSHH-UHFFFAOYSA-N -1 3 390.448 0.477 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824109882 609199231 /nfs/dbraw/zinc/19/92/31/609199231.db2.gz YFGGOARMUMMSHH-UHFFFAOYSA-N -1 3 390.448 0.477 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431109 609201041 /nfs/dbraw/zinc/20/10/41/609201041.db2.gz RTJZSDLBWAFJHP-CABCVRRESA-N -1 3 380.412 0.475 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431109 609201043 /nfs/dbraw/zinc/20/10/43/609201043.db2.gz RTJZSDLBWAFJHP-CABCVRRESA-N -1 3 380.412 0.475 20 0 GCADHM O=C(NCCOc1ccc2c(c1)OCO2)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826438823 609201684 /nfs/dbraw/zinc/20/16/84/609201684.db2.gz RUQQQFQASTXVHM-MRXNPFEDSA-N -1 3 383.364 0.824 20 0 GCADHM O=C(NCCOc1ccc2c(c1)OCO2)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826438823 609201685 /nfs/dbraw/zinc/20/16/85/609201685.db2.gz RUQQQFQASTXVHM-MRXNPFEDSA-N -1 3 383.364 0.824 20 0 GCADHM C[C@](O)(CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000824670160 609201693 /nfs/dbraw/zinc/20/16/93/609201693.db2.gz LETYPHZAYZLADX-KXBFYZLASA-N -1 3 399.455 0.822 20 0 GCADHM C[C@](O)(CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000824670160 609201695 /nfs/dbraw/zinc/20/16/95/609201695.db2.gz LETYPHZAYZLADX-KXBFYZLASA-N -1 3 399.455 0.822 20 0 GCADHM C[C@@H](CCO)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824407641 609201794 /nfs/dbraw/zinc/20/17/94/609201794.db2.gz YLAFDFQUVZBMNE-WFASDCNBSA-N -1 3 387.444 0.680 20 0 GCADHM C[C@@H](CCO)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824407641 609201795 /nfs/dbraw/zinc/20/17/95/609201795.db2.gz YLAFDFQUVZBMNE-WFASDCNBSA-N -1 3 387.444 0.680 20 0 GCADHM C[C@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825005658 609202340 /nfs/dbraw/zinc/20/23/40/609202340.db2.gz BKVVVYBHZVVCIN-WFASDCNBSA-N -1 3 385.428 0.792 20 0 GCADHM C[C@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825005658 609202342 /nfs/dbraw/zinc/20/23/42/609202342.db2.gz BKVVVYBHZVVCIN-WFASDCNBSA-N -1 3 385.428 0.792 20 0 GCADHM CC[C@@H](O)CCNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825155024 609202349 /nfs/dbraw/zinc/20/23/49/609202349.db2.gz XHSGDNAKJVHEIN-CABCVRRESA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@@H](O)CCNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825155024 609202350 /nfs/dbraw/zinc/20/23/50/609202350.db2.gz XHSGDNAKJVHEIN-CABCVRRESA-N -1 3 387.444 0.822 20 0 GCADHM CCC[C@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825248052 609202736 /nfs/dbraw/zinc/20/27/36/609202736.db2.gz MCPPLVVVBBJVQG-GJZGRUSLSA-N -1 3 387.444 0.822 20 0 GCADHM CCC[C@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825248052 609202738 /nfs/dbraw/zinc/20/27/38/609202738.db2.gz MCPPLVVVBBJVQG-GJZGRUSLSA-N -1 3 387.444 0.822 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000826430173 609203137 /nfs/dbraw/zinc/20/31/37/609203137.db2.gz VWHRYBUXGAJJTL-XHSDSOJGSA-N -1 3 397.439 0.935 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000826430173 609203139 /nfs/dbraw/zinc/20/31/39/609203139.db2.gz VWHRYBUXGAJJTL-XHSDSOJGSA-N -1 3 397.439 0.935 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)NC1(CO)CCCC1 ZINC000826430385 609203361 /nfs/dbraw/zinc/20/33/61/609203361.db2.gz BDPGMXARGPTXIV-HNNXBMFYSA-N -1 3 399.455 0.966 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)NC1(CO)CCCC1 ZINC000826430385 609203362 /nfs/dbraw/zinc/20/33/62/609203362.db2.gz BDPGMXARGPTXIV-HNNXBMFYSA-N -1 3 399.455 0.966 20 0 GCADHM CN(C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CCOC1 ZINC000825820686 609204327 /nfs/dbraw/zinc/20/43/27/609204327.db2.gz PAGFKONYIBOUHF-LSDHHAIUSA-N -1 3 385.428 0.792 20 0 GCADHM CN(C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CCOC1 ZINC000825820686 609204329 /nfs/dbraw/zinc/20/43/29/609204329.db2.gz PAGFKONYIBOUHF-LSDHHAIUSA-N -1 3 385.428 0.792 20 0 GCADHM CC(C)[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824338179 609205433 /nfs/dbraw/zinc/20/54/33/609205433.db2.gz RPXYXUHLTRXOCS-LSDHHAIUSA-N -1 3 387.444 0.678 20 0 GCADHM CC(C)[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824338179 609205435 /nfs/dbraw/zinc/20/54/35/609205435.db2.gz RPXYXUHLTRXOCS-LSDHHAIUSA-N -1 3 387.444 0.678 20 0 GCADHM O=C(N[C@H](CO)CC1CC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826426308 609206735 /nfs/dbraw/zinc/20/67/35/609206735.db2.gz KTDBSQCJABZQSC-GOEBONIOSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(N[C@H](CO)CC1CC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826426308 609206737 /nfs/dbraw/zinc/20/67/37/609206737.db2.gz KTDBSQCJABZQSC-GOEBONIOSA-N -1 3 399.455 0.822 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824040434 609208372 /nfs/dbraw/zinc/20/83/72/609208372.db2.gz PRCYOZWUSPFUJV-LBPRGKRZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824040434 609208381 /nfs/dbraw/zinc/20/83/81/609208381.db2.gz PRCYOZWUSPFUJV-LBPRGKRZSA-N -1 3 386.460 0.400 20 0 GCADHM COc1ccnc(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826220951 609208715 /nfs/dbraw/zinc/20/87/15/609208715.db2.gz HYKQNJMJZIQKCC-HNNXBMFYSA-N -1 3 396.411 0.048 20 0 GCADHM COc1ccnc(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826220951 609208717 /nfs/dbraw/zinc/20/87/17/609208717.db2.gz HYKQNJMJZIQKCC-HNNXBMFYSA-N -1 3 396.411 0.048 20 0 GCADHM Cc1cccc(C(=O)NCCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826295911 609209389 /nfs/dbraw/zinc/20/93/89/609209389.db2.gz CRQJUIKLRIGFJO-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1cccc(C(=O)NCCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826295911 609209391 /nfs/dbraw/zinc/20/93/91/609209391.db2.gz CRQJUIKLRIGFJO-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443387 609209456 /nfs/dbraw/zinc/20/94/56/609209456.db2.gz MTVXSWVRLVXGHU-JKSUJKDBSA-N -1 3 396.407 0.801 20 0 GCADHM O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443387 609209458 /nfs/dbraw/zinc/20/94/58/609209458.db2.gz MTVXSWVRLVXGHU-JKSUJKDBSA-N -1 3 396.407 0.801 20 0 GCADHM O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443385 609209607 /nfs/dbraw/zinc/20/96/07/609209607.db2.gz MTVXSWVRLVXGHU-HOTGVXAUSA-N -1 3 396.407 0.801 20 0 GCADHM O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443385 609209608 /nfs/dbraw/zinc/20/96/08/609209608.db2.gz MTVXSWVRLVXGHU-HOTGVXAUSA-N -1 3 396.407 0.801 20 0 GCADHM C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1 ZINC000824470321 609210131 /nfs/dbraw/zinc/21/01/31/609210131.db2.gz HKGRMTFKAOPMHI-LRDDRELGSA-N -1 3 380.408 0.721 20 0 GCADHM C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1 ZINC000824470321 609210134 /nfs/dbraw/zinc/21/01/34/609210134.db2.gz HKGRMTFKAOPMHI-LRDDRELGSA-N -1 3 380.408 0.721 20 0 GCADHM O=C(CCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)NCc1cccnc1 ZINC000826407520 609214218 /nfs/dbraw/zinc/21/42/18/609214218.db2.gz PZUGVPJSKXMEJM-INIZCTEOSA-N -1 3 381.396 0.118 20 0 GCADHM O=C(CCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)NCc1cccnc1 ZINC000826407520 609214219 /nfs/dbraw/zinc/21/42/19/609214219.db2.gz PZUGVPJSKXMEJM-INIZCTEOSA-N -1 3 381.396 0.118 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000826194668 609215121 /nfs/dbraw/zinc/21/51/21/609215121.db2.gz SDBRZRPHTAJWSV-CQSZACIVSA-N -1 3 381.396 0.734 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000826194668 609215123 /nfs/dbraw/zinc/21/51/23/609215123.db2.gz SDBRZRPHTAJWSV-CQSZACIVSA-N -1 3 381.396 0.734 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431618 609215445 /nfs/dbraw/zinc/21/54/45/609215445.db2.gz GMJJZKPIXMUXHZ-DLBZAZTESA-N -1 3 392.419 0.817 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431618 609215447 /nfs/dbraw/zinc/21/54/47/609215447.db2.gz GMJJZKPIXMUXHZ-DLBZAZTESA-N -1 3 392.419 0.817 20 0 GCADHM CN(C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825812608 609216746 /nfs/dbraw/zinc/21/67/46/609216746.db2.gz OOORQNKEAODHBZ-KBPBESRZSA-N -1 3 388.453 0.422 20 0 GCADHM CN(C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825812608 609216748 /nfs/dbraw/zinc/21/67/48/609216748.db2.gz OOORQNKEAODHBZ-KBPBESRZSA-N -1 3 388.453 0.422 20 0 GCADHM O=C(Cc1cccc(F)c1)NCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826423380 609218631 /nfs/dbraw/zinc/21/86/31/609218631.db2.gz MJOYCJSMNUJJAO-KRWDZBQOSA-N -1 3 398.398 0.514 20 0 GCADHM O=C(Cc1cccc(F)c1)NCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826423380 609218633 /nfs/dbraw/zinc/21/86/33/609218633.db2.gz MJOYCJSMNUJJAO-KRWDZBQOSA-N -1 3 398.398 0.514 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391224 609218865 /nfs/dbraw/zinc/21/88/65/609218865.db2.gz WWQLUOBDQLAKJD-STQMWFEESA-N -1 3 376.442 0.280 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391224 609218867 /nfs/dbraw/zinc/21/88/67/609218867.db2.gz WWQLUOBDQLAKJD-STQMWFEESA-N -1 3 376.442 0.280 20 0 GCADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCc2ccccc21 ZINC000826433041 609220054 /nfs/dbraw/zinc/22/00/54/609220054.db2.gz SHJDLCWKBRFJDN-QGZVFWFLSA-N -1 3 378.392 0.606 20 0 GCADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc21 ZINC000826433041 609220055 /nfs/dbraw/zinc/22/00/55/609220055.db2.gz SHJDLCWKBRFJDN-QGZVFWFLSA-N -1 3 378.392 0.606 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000824991727 609220701 /nfs/dbraw/zinc/22/07/01/609220701.db2.gz FVHOURFZTXVROV-ZYHUDNBSSA-N -1 3 381.462 0.373 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000824991727 609220702 /nfs/dbraw/zinc/22/07/02/609220702.db2.gz FVHOURFZTXVROV-ZYHUDNBSSA-N -1 3 381.462 0.373 20 0 GCADHM O=C(NCc1nccn1CC(F)(F)F)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443821 609223387 /nfs/dbraw/zinc/22/33/87/609223387.db2.gz FOLKQGRQWOLBQZ-LBPRGKRZSA-N -1 3 381.318 0.975 20 0 GCADHM O=C(NCc1nccn1CC(F)(F)F)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443821 609223388 /nfs/dbraw/zinc/22/33/88/609223388.db2.gz FOLKQGRQWOLBQZ-LBPRGKRZSA-N -1 3 381.318 0.975 20 0 GCADHM O=C(Nc1cnn(CCN2CCOCC2)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826459741 609223516 /nfs/dbraw/zinc/22/35/16/609223516.db2.gz XQHROOOVZSUSDE-MRXNPFEDSA-N -1 3 398.427 0.068 20 0 GCADHM O=C(NCc1nccn1CC(F)(F)F)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443820 609223525 /nfs/dbraw/zinc/22/35/25/609223525.db2.gz FOLKQGRQWOLBQZ-GFCCVEGCSA-N -1 3 381.318 0.975 20 0 GCADHM O=C(NCc1nccn1CC(F)(F)F)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443820 609223528 /nfs/dbraw/zinc/22/35/28/609223528.db2.gz FOLKQGRQWOLBQZ-GFCCVEGCSA-N -1 3 381.318 0.975 20 0 GCADHM CN(c1cccnn1)C1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826010651 609225583 /nfs/dbraw/zinc/22/55/83/609225583.db2.gz MXYIQPRLIZXEJR-QGZVFWFLSA-N -1 3 394.439 0.818 20 0 GCADHM CN(c1cccnn1)C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826010651 609225585 /nfs/dbraw/zinc/22/55/85/609225585.db2.gz MXYIQPRLIZXEJR-QGZVFWFLSA-N -1 3 394.439 0.818 20 0 GCADHM Cn1cc(CN2CCCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000826360485 609225835 /nfs/dbraw/zinc/22/58/35/609225835.db2.gz MAAVVZQNZZPCQV-KRWDZBQOSA-N -1 3 396.455 0.368 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000826397202 609226046 /nfs/dbraw/zinc/22/60/46/609226046.db2.gz WYOFWKLDBIKYIE-MRXNPFEDSA-N -1 3 380.412 0.793 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000826397202 609226047 /nfs/dbraw/zinc/22/60/47/609226047.db2.gz WYOFWKLDBIKYIE-MRXNPFEDSA-N -1 3 380.412 0.793 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826363878 609226406 /nfs/dbraw/zinc/22/64/06/609226406.db2.gz DVYJSZKGZYYXAY-QGZVFWFLSA-N -1 3 396.455 0.368 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826363878 609226408 /nfs/dbraw/zinc/22/64/08/609226408.db2.gz DVYJSZKGZYYXAY-QGZVFWFLSA-N -1 3 396.455 0.368 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825210633 609226473 /nfs/dbraw/zinc/22/64/73/609226473.db2.gz ISDOINSAUMCRCQ-AAEUAGOBSA-N -1 3 395.489 0.763 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825210633 609226474 /nfs/dbraw/zinc/22/64/74/609226474.db2.gz ISDOINSAUMCRCQ-AAEUAGOBSA-N -1 3 395.489 0.763 20 0 GCADHM CN(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)S(=O)(=O)c1cccs1 ZINC000825941343 609226935 /nfs/dbraw/zinc/22/69/35/609226935.db2.gz GOJRJLRUJGUADG-UHFFFAOYSA-N -1 3 381.443 0.307 20 0 GCADHM CN(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)S(=O)(=O)c1cccs1 ZINC000825941343 609226936 /nfs/dbraw/zinc/22/69/36/609226936.db2.gz GOJRJLRUJGUADG-UHFFFAOYSA-N -1 3 381.443 0.307 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390727 609227211 /nfs/dbraw/zinc/22/72/11/609227211.db2.gz KCOCFTBGFMDCKZ-HOTGVXAUSA-N -1 3 378.392 0.511 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390727 609227212 /nfs/dbraw/zinc/22/72/12/609227212.db2.gz KCOCFTBGFMDCKZ-HOTGVXAUSA-N -1 3 378.392 0.511 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000826397652 609229025 /nfs/dbraw/zinc/22/90/25/609229025.db2.gz IFBYPRNFJWIAFI-DLBZAZTESA-N -1 3 386.456 0.613 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000826397652 609229026 /nfs/dbraw/zinc/22/90/26/609229026.db2.gz IFBYPRNFJWIAFI-DLBZAZTESA-N -1 3 386.456 0.613 20 0 GCADHM CCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000825367936 609229594 /nfs/dbraw/zinc/22/95/94/609229594.db2.gz XVJHQBUXZQYVOH-FZMZJTMJSA-N -1 3 381.458 0.572 20 0 GCADHM CCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000825367936 609229595 /nfs/dbraw/zinc/22/95/95/609229595.db2.gz XVJHQBUXZQYVOH-FZMZJTMJSA-N -1 3 381.458 0.572 20 0 GCADHM O=C(N[C@H]1CCN(c2ccccc2F)C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431980 609230211 /nfs/dbraw/zinc/23/02/11/609230211.db2.gz PIRRKMJTUOBZFK-HOCLYGCPSA-N -1 3 396.382 0.961 20 0 GCADHM O=C(N[C@H]1CCN(c2ccccc2F)C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431980 609230212 /nfs/dbraw/zinc/23/02/12/609230212.db2.gz PIRRKMJTUOBZFK-HOCLYGCPSA-N -1 3 396.382 0.961 20 0 GCADHM O=C(N[C@H]1CCN(c2ccccc2F)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431979 609230239 /nfs/dbraw/zinc/23/02/39/609230239.db2.gz PIRRKMJTUOBZFK-GOEBONIOSA-N -1 3 396.382 0.961 20 0 GCADHM O=C(N[C@H]1CCN(c2ccccc2F)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431979 609230240 /nfs/dbraw/zinc/23/02/40/609230240.db2.gz PIRRKMJTUOBZFK-GOEBONIOSA-N -1 3 396.382 0.961 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824449634 609231061 /nfs/dbraw/zinc/23/10/61/609231061.db2.gz OJNZNVBUZOEHCP-IINYFYTJSA-N -1 3 379.442 0.324 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824449634 609231063 /nfs/dbraw/zinc/23/10/63/609231063.db2.gz OJNZNVBUZOEHCP-IINYFYTJSA-N -1 3 379.442 0.324 20 0 GCADHM O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431351 609233263 /nfs/dbraw/zinc/23/32/63/609233263.db2.gz ZDKBSPXOIRKDRK-GDBMZVCRSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431351 609233264 /nfs/dbraw/zinc/23/32/64/609233264.db2.gz ZDKBSPXOIRKDRK-GDBMZVCRSA-N -1 3 380.412 0.475 20 0 GCADHM CN(C[C@H]1CCCN1c1cccnn1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825908818 609233606 /nfs/dbraw/zinc/23/36/06/609233606.db2.gz MPXWCRHRHTYOCD-NVXWUHKLSA-N -1 3 394.439 0.818 20 0 GCADHM CN(C[C@H]1CCCN1c1cccnn1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825908818 609233608 /nfs/dbraw/zinc/23/36/08/609233608.db2.gz MPXWCRHRHTYOCD-NVXWUHKLSA-N -1 3 394.439 0.818 20 0 GCADHM Cc1ccc(N2CCC[C@H](NC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000826289595 609233654 /nfs/dbraw/zinc/23/36/54/609233654.db2.gz GKLCTYVKNULJQP-RDJZCZTQSA-N -1 3 394.439 0.784 20 0 GCADHM Cc1ccc(N2CCC[C@H](NC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000826289595 609233655 /nfs/dbraw/zinc/23/36/55/609233655.db2.gz GKLCTYVKNULJQP-RDJZCZTQSA-N -1 3 394.439 0.784 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000824738204 609235228 /nfs/dbraw/zinc/23/52/28/609235228.db2.gz MWZAJVGFWHJRJV-SWLSCSKDSA-N -1 3 389.412 0.672 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000824738203 609235408 /nfs/dbraw/zinc/23/54/08/609235408.db2.gz MWZAJVGFWHJRJV-IUODEOHRSA-N -1 3 389.412 0.672 20 0 GCADHM C[C@H]1CN=C(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)S1 ZINC000824999592 609237889 /nfs/dbraw/zinc/23/78/89/609237889.db2.gz IHGSUTKJNLMPBU-FZMZJTMJSA-N -1 3 387.469 0.536 20 0 GCADHM C[C@H]1CN=C(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)S1 ZINC000824999592 609237890 /nfs/dbraw/zinc/23/78/90/609237890.db2.gz IHGSUTKJNLMPBU-FZMZJTMJSA-N -1 3 387.469 0.536 20 0 GCADHM O=C(O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1nccn2ccnc12 ZINC000826462313 609239527 /nfs/dbraw/zinc/23/95/27/609239527.db2.gz URIPBPKIVWFHOP-CYBMUJFWSA-N -1 3 390.363 0.872 20 0 GCADHM O=C(O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1nccn2ccnc12 ZINC000826462313 609239529 /nfs/dbraw/zinc/23/95/29/609239529.db2.gz URIPBPKIVWFHOP-CYBMUJFWSA-N -1 3 390.363 0.872 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000826323997 609241922 /nfs/dbraw/zinc/24/19/22/609241922.db2.gz ANBZYUAXJMKSBN-HOTGVXAUSA-N -1 3 398.427 0.036 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000826323997 609241923 /nfs/dbraw/zinc/24/19/23/609241923.db2.gz ANBZYUAXJMKSBN-HOTGVXAUSA-N -1 3 398.427 0.036 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824100839 609242027 /nfs/dbraw/zinc/24/20/27/609242027.db2.gz YOELJHRIUJUJAZ-KBPBESRZSA-N -1 3 389.412 0.469 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824100839 609242028 /nfs/dbraw/zinc/24/20/28/609242028.db2.gz YOELJHRIUJUJAZ-KBPBESRZSA-N -1 3 389.412 0.469 20 0 GCADHM O=C(NCC1(O)CCC2(CC1)OCCO2)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826433558 609243071 /nfs/dbraw/zinc/24/30/71/609243071.db2.gz KIODGVBNNRHWPC-AWEZNQCLSA-N -1 3 389.412 0.065 20 0 GCADHM O=C(NCC1(O)CCC2(CC1)OCCO2)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826433558 609243072 /nfs/dbraw/zinc/24/30/72/609243072.db2.gz KIODGVBNNRHWPC-AWEZNQCLSA-N -1 3 389.412 0.065 20 0 GCADHM COc1cc(OC)cc([C@@H](O)CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826181327 609248593 /nfs/dbraw/zinc/24/85/93/609248593.db2.gz UYYNKEMVLLCFJK-DLBZAZTESA-N -1 3 399.407 0.767 20 0 GCADHM COc1cc(OC)cc([C@@H](O)CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826181327 609248595 /nfs/dbraw/zinc/24/85/95/609248595.db2.gz UYYNKEMVLLCFJK-DLBZAZTESA-N -1 3 399.407 0.767 20 0 GCADHM COc1ccc(OC)c([C@@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826211341 609248881 /nfs/dbraw/zinc/24/88/81/609248881.db2.gz YHJSLYJRPMKOED-RDJZCZTQSA-N -1 3 399.407 0.767 20 0 GCADHM COc1ccc(OC)c([C@@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826211341 609248882 /nfs/dbraw/zinc/24/88/82/609248882.db2.gz YHJSLYJRPMKOED-RDJZCZTQSA-N -1 3 399.407 0.767 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000826398141 609250358 /nfs/dbraw/zinc/25/03/58/609250358.db2.gz RAGMTUCDJHCVMJ-BFYDXBDKSA-N -1 3 399.407 0.844 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000826398141 609250359 /nfs/dbraw/zinc/25/03/59/609250359.db2.gz RAGMTUCDJHCVMJ-BFYDXBDKSA-N -1 3 399.407 0.844 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826428399 609251286 /nfs/dbraw/zinc/25/12/86/609251286.db2.gz AVTPKBDBRFIJQL-YOEHRIQHSA-N -1 3 384.440 0.950 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826428399 609251287 /nfs/dbraw/zinc/25/12/87/609251287.db2.gz AVTPKBDBRFIJQL-YOEHRIQHSA-N -1 3 384.440 0.950 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826428396 609251473 /nfs/dbraw/zinc/25/14/73/609251473.db2.gz AVTPKBDBRFIJQL-PBHICJAKSA-N -1 3 384.440 0.950 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826428396 609251475 /nfs/dbraw/zinc/25/14/75/609251475.db2.gz AVTPKBDBRFIJQL-PBHICJAKSA-N -1 3 384.440 0.950 20 0 GCADHM COc1ccccc1CN(CCO)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826219530 609252631 /nfs/dbraw/zinc/25/26/31/609252631.db2.gz GLVVNUPPQMKOHN-KRWDZBQOSA-N -1 3 383.408 0.930 20 0 GCADHM COc1ccccc1CN(CCO)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826219530 609252633 /nfs/dbraw/zinc/25/26/33/609252633.db2.gz GLVVNUPPQMKOHN-KRWDZBQOSA-N -1 3 383.408 0.930 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N(CCO)CCOCC(F)(F)F ZINC000826397152 609252638 /nfs/dbraw/zinc/25/26/38/609252638.db2.gz VXIATJGSJMSTMG-GFCCVEGCSA-N -1 3 389.334 0.300 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N(CCO)CCOCC(F)(F)F ZINC000826397152 609252639 /nfs/dbraw/zinc/25/26/39/609252639.db2.gz VXIATJGSJMSTMG-GFCCVEGCSA-N -1 3 389.334 0.300 20 0 GCADHM COc1nc(C)ccc1C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826221684 609253704 /nfs/dbraw/zinc/25/37/04/609253704.db2.gz QDSBMMUWGNIEKF-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM COc1nc(C)ccc1C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826221684 609253706 /nfs/dbraw/zinc/25/37/06/609253706.db2.gz QDSBMMUWGNIEKF-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(N2CCCNC2=O)CC1 ZINC000826397209 609254537 /nfs/dbraw/zinc/25/45/37/609254537.db2.gz XGYGPHDTOSGGIA-HNNXBMFYSA-N -1 3 385.428 0.306 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCCNC2=O)CC1 ZINC000826397209 609254538 /nfs/dbraw/zinc/25/45/38/609254538.db2.gz XGYGPHDTOSGGIA-HNNXBMFYSA-N -1 3 385.428 0.306 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826321619 609258528 /nfs/dbraw/zinc/25/85/28/609258528.db2.gz JPSMKOABKOXKQX-ZBFHGGJFSA-N -1 3 383.412 0.840 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826321619 609258529 /nfs/dbraw/zinc/25/85/29/609258529.db2.gz JPSMKOABKOXKQX-ZBFHGGJFSA-N -1 3 383.412 0.840 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826321616 609258906 /nfs/dbraw/zinc/25/89/06/609258906.db2.gz JPSMKOABKOXKQX-GDBMZVCRSA-N -1 3 383.412 0.840 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826321616 609258908 /nfs/dbraw/zinc/25/89/08/609258908.db2.gz JPSMKOABKOXKQX-GDBMZVCRSA-N -1 3 383.412 0.840 20 0 GCADHM CCNC(=O)CCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825471279 609265820 /nfs/dbraw/zinc/26/58/20/609265820.db2.gz QLRJVGHBZOVSBX-CQSZACIVSA-N -1 3 385.428 0.395 20 0 GCADHM CCNC(=O)CCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825471279 609265822 /nfs/dbraw/zinc/26/58/22/609265822.db2.gz QLRJVGHBZOVSBX-CQSZACIVSA-N -1 3 385.428 0.395 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CSC(=O)N1 ZINC000826481903 609266354 /nfs/dbraw/zinc/26/63/54/609266354.db2.gz LLRDEZYNKSZEFG-NWDGAFQWSA-N -1 3 387.425 0.303 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CSC(=O)N1 ZINC000826481903 609266356 /nfs/dbraw/zinc/26/63/56/609266356.db2.gz LLRDEZYNKSZEFG-NWDGAFQWSA-N -1 3 387.425 0.303 20 0 GCADHM COCCn1cc2c(n1)[C@H](NC(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000826163755 609266713 /nfs/dbraw/zinc/26/67/13/609266713.db2.gz JRVDLCKTCPBRPX-WBVHZDCISA-N -1 3 397.439 0.937 20 0 GCADHM COCCn1cc2c(n1)[C@H](NC(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000826163755 609266715 /nfs/dbraw/zinc/26/67/15/609266715.db2.gz JRVDLCKTCPBRPX-WBVHZDCISA-N -1 3 397.439 0.937 20 0 GCADHM CN(C)c1nc(C[S@@](=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)ns1 ZINC000825883717 609268766 /nfs/dbraw/zinc/26/87/66/609268766.db2.gz LRAKRABZALBYPZ-AREMUKBSSA-N -1 3 392.470 0.672 20 0 GCADHM CN(C)c1nc(C[S@@](=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)ns1 ZINC000825883717 609268769 /nfs/dbraw/zinc/26/87/69/609268769.db2.gz LRAKRABZALBYPZ-AREMUKBSSA-N -1 3 392.470 0.672 20 0 GCADHM COCc1noc(CN2CCN(c3nnc(C)c(C)c3-c3nnn[n-]3)CC2)n1 ZINC000826165643 609272736 /nfs/dbraw/zinc/27/27/36/609272736.db2.gz DANFKWHRVXUJBC-UHFFFAOYSA-N -1 3 386.420 0.125 20 0 GCADHM COCc1noc(CN2CCN(c3nnc(C)c(C)c3-c3nn[n-]n3)CC2)n1 ZINC000826165643 609272737 /nfs/dbraw/zinc/27/27/37/609272737.db2.gz DANFKWHRVXUJBC-UHFFFAOYSA-N -1 3 386.420 0.125 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC000824818014 609275152 /nfs/dbraw/zinc/27/51/52/609275152.db2.gz QTGUQMHRCACVQA-SFHVURJKSA-N -1 3 382.428 0.951 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC000824818014 609275153 /nfs/dbraw/zinc/27/51/53/609275153.db2.gz QTGUQMHRCACVQA-SFHVURJKSA-N -1 3 382.428 0.951 20 0 GCADHM CCn1c(=O)cc(Cl)n(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000825782571 609282892 /nfs/dbraw/zinc/28/28/92/609282892.db2.gz HHKQBYVPJXRFBB-UHFFFAOYSA-N -1 3 375.776 0.502 20 0 GCADHM CCn1c(=O)cc(Cl)n(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000825782571 609282893 /nfs/dbraw/zinc/28/28/93/609282893.db2.gz HHKQBYVPJXRFBB-UHFFFAOYSA-N -1 3 375.776 0.502 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000825493532 609285682 /nfs/dbraw/zinc/28/56/82/609285682.db2.gz MMHRDHJPULTDOM-CJNGLKHVSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000825493535 609285840 /nfs/dbraw/zinc/28/58/40/609285840.db2.gz MMHRDHJPULTDOM-CZUORRHYSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000825493888 609287027 /nfs/dbraw/zinc/28/70/27/609287027.db2.gz QCGZHVUEZQEJJQ-CZUORRHYSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC000825493888 609287028 /nfs/dbraw/zinc/28/70/28/609287028.db2.gz QCGZHVUEZQEJJQ-CZUORRHYSA-N -1 3 389.412 0.720 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000826458267 609289840 /nfs/dbraw/zinc/28/98/40/609289840.db2.gz JUXDLEYRSJGKAV-VIFPVBQESA-N -1 3 391.388 0.565 20 0 GCADHM COC(=O)[C@H](CO)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826104366 609295282 /nfs/dbraw/zinc/29/52/82/609295282.db2.gz VKMPWMIJWPCSMB-INIZCTEOSA-N -1 3 397.391 0.709 20 0 GCADHM COC(=O)[C@H](CO)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826104366 609295284 /nfs/dbraw/zinc/29/52/84/609295284.db2.gz VKMPWMIJWPCSMB-INIZCTEOSA-N -1 3 397.391 0.709 20 0 GCADHM CN(C)c1ncccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825929415 609299201 /nfs/dbraw/zinc/29/92/01/609299201.db2.gz FMCDTUNRTOQMMJ-UHFFFAOYSA-N -1 3 399.463 0.407 20 0 GCADHM COCCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000826157544 609300414 /nfs/dbraw/zinc/30/04/14/609300414.db2.gz ZWJVPJYWRQXRFK-LLVKDONJSA-N -1 3 399.860 0.796 20 0 GCADHM COCCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000826157544 609300416 /nfs/dbraw/zinc/30/04/16/609300416.db2.gz ZWJVPJYWRQXRFK-LLVKDONJSA-N -1 3 399.860 0.796 20 0 GCADHM CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000825394364 609307405 /nfs/dbraw/zinc/30/74/05/609307405.db2.gz AGVBRQHBDCDEDC-UHFFFAOYSA-N -1 3 392.489 0.739 20 0 GCADHM CCN(CC(=O)NC(C)C)C(=O)CSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000825394364 609307407 /nfs/dbraw/zinc/30/74/07/609307407.db2.gz AGVBRQHBDCDEDC-UHFFFAOYSA-N -1 3 392.489 0.739 20 0 GCADHM CC(=O)NCCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)C(=O)OC(C)(C)C ZINC000823995060 609310573 /nfs/dbraw/zinc/31/05/73/609310573.db2.gz YYODYRIHZVBPRN-SNVBAGLBSA-N -1 3 391.432 0.503 20 0 GCADHM CC(=O)NCCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)C(=O)OC(C)(C)C ZINC000823995060 609310574 /nfs/dbraw/zinc/31/05/74/609310574.db2.gz YYODYRIHZVBPRN-SNVBAGLBSA-N -1 3 391.432 0.503 20 0 GCADHM COC[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)OC ZINC000826149751 609311919 /nfs/dbraw/zinc/31/19/19/609311919.db2.gz NXMVZEAWDSHESR-GFCCVEGCSA-N -1 3 376.417 0.753 20 0 GCADHM COC[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)OC ZINC000826149751 609311921 /nfs/dbraw/zinc/31/19/21/609311921.db2.gz NXMVZEAWDSHESR-GFCCVEGCSA-N -1 3 376.417 0.753 20 0 GCADHM C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824650983 609312493 /nfs/dbraw/zinc/31/24/93/609312493.db2.gz WQKHTXBSOYVWPF-MRVPVSSYSA-N -1 3 394.392 0.068 20 0 GCADHM COC[C@@H](CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)OC ZINC000826150214 609315893 /nfs/dbraw/zinc/31/58/93/609315893.db2.gz ZGRUUAJEHBFNAL-CYBMUJFWSA-N -1 3 393.423 0.499 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000826491642 609316968 /nfs/dbraw/zinc/31/69/68/609316968.db2.gz TUKFEGFJXNYKPQ-UHFFFAOYSA-N -1 3 389.397 0.381 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000826491642 609316970 /nfs/dbraw/zinc/31/69/70/609316970.db2.gz TUKFEGFJXNYKPQ-UHFFFAOYSA-N -1 3 389.397 0.381 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000824961677 609317754 /nfs/dbraw/zinc/31/77/54/609317754.db2.gz GCQJBUWEFXABLL-LBPRGKRZSA-N -1 3 392.489 0.407 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000824961677 609317756 /nfs/dbraw/zinc/31/77/56/609317756.db2.gz GCQJBUWEFXABLL-LBPRGKRZSA-N -1 3 392.489 0.407 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCN1CCNC(=O)C1 ZINC000824319034 609317871 /nfs/dbraw/zinc/31/78/71/609317871.db2.gz CLKSYMILAKGPHC-UHFFFAOYSA-N -1 3 388.432 0.207 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCN1CCNC(=O)C1 ZINC000824319034 609317872 /nfs/dbraw/zinc/31/78/72/609317872.db2.gz CLKSYMILAKGPHC-UHFFFAOYSA-N -1 3 388.432 0.207 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000825492453 609318216 /nfs/dbraw/zinc/31/82/16/609318216.db2.gz FYAFLVZBWPKBSD-FZMZJTMJSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000825492453 609318218 /nfs/dbraw/zinc/31/82/18/609318218.db2.gz FYAFLVZBWPKBSD-FZMZJTMJSA-N -1 3 395.441 0.503 20 0 GCADHM CN(C)C(=O)CC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825841636 609318481 /nfs/dbraw/zinc/31/84/81/609318481.db2.gz YJNRSLRCKINRGB-UHFFFAOYSA-N -1 3 396.448 0.885 20 0 GCADHM COC[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)OC ZINC000826149237 609318665 /nfs/dbraw/zinc/31/86/65/609318665.db2.gz CQPARVKJINQOLH-MRVPVSSYSA-N -1 3 395.363 0.825 20 0 GCADHM COC[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)OC ZINC000826149237 609318667 /nfs/dbraw/zinc/31/86/67/609318667.db2.gz CQPARVKJINQOLH-MRVPVSSYSA-N -1 3 395.363 0.825 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826128939 609328899 /nfs/dbraw/zinc/32/88/99/609328899.db2.gz ITSYWORWTOTWRN-OLZOCXBDSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826128939 609328900 /nfs/dbraw/zinc/32/89/00/609328900.db2.gz ITSYWORWTOTWRN-OLZOCXBDSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826129192 609329159 /nfs/dbraw/zinc/32/91/59/609329159.db2.gz LYLVDPHBLFEDSV-UONOGXRCSA-N -1 3 395.441 0.349 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826129192 609329161 /nfs/dbraw/zinc/32/91/61/609329161.db2.gz LYLVDPHBLFEDSV-UONOGXRCSA-N -1 3 395.441 0.349 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826129758 609329433 /nfs/dbraw/zinc/32/94/33/609329433.db2.gz ZWENEECSVRVGTG-OLZOCXBDSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826129758 609329434 /nfs/dbraw/zinc/32/94/34/609329434.db2.gz ZWENEECSVRVGTG-OLZOCXBDSA-N -1 3 395.441 0.516 20 0 GCADHM O=S(=O)(Nc1ccncc1Br)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492882 609338957 /nfs/dbraw/zinc/33/89/57/609338957.db2.gz JNHWMQZDUXQKHY-UHFFFAOYSA-N -1 3 382.203 0.642 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826129669 609344805 /nfs/dbraw/zinc/34/48/05/609344805.db2.gz YDPIRPACOGEBAV-KBPBESRZSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826128665 609346190 /nfs/dbraw/zinc/34/61/90/609346190.db2.gz GDLFOGVWVRMAAG-SCRDCRAPSA-N -1 3 389.412 0.813 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826128665 609346192 /nfs/dbraw/zinc/34/61/92/609346192.db2.gz GDLFOGVWVRMAAG-SCRDCRAPSA-N -1 3 389.412 0.813 20 0 GCADHM COC[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826148462 609353497 /nfs/dbraw/zinc/35/34/97/609353497.db2.gz JBDXMTYMISDBNI-VIFPVBQESA-N -1 3 388.363 0.281 20 0 GCADHM C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824899442 609353504 /nfs/dbraw/zinc/35/35/04/609353504.db2.gz JWKANLZDMDYVEV-ZJUUUORDSA-N -1 3 384.375 0.902 20 0 GCADHM CN1CCC[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1=O ZINC000826029154 609356006 /nfs/dbraw/zinc/35/60/06/609356006.db2.gz POPGLWSHMVTDGP-NSHDSACASA-N -1 3 399.390 0.934 20 0 GCADHM CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@@H]1CCN(C)C1=O ZINC000826021646 609356575 /nfs/dbraw/zinc/35/65/75/609356575.db2.gz BLUMCPRLWBPRRV-GFCCVEGCSA-N -1 3 399.390 0.886 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000826184643 609357377 /nfs/dbraw/zinc/35/73/77/609357377.db2.gz FNSXBNGEBVMSMQ-GXTWGEPZSA-N -1 3 388.428 0.823 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)C[C@@H]1CCCC[C@H]1O ZINC000826184643 609357379 /nfs/dbraw/zinc/35/73/79/609357379.db2.gz FNSXBNGEBVMSMQ-GXTWGEPZSA-N -1 3 388.428 0.823 20 0 GCADHM CCNC(=O)[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825465175 609358900 /nfs/dbraw/zinc/35/89/00/609358900.db2.gz IYMPWRJLDWNAMM-VIFPVBQESA-N -1 3 387.379 0.838 20 0 GCADHM COC(=O)C1=C(C)O[C@H](CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000826128857 609359479 /nfs/dbraw/zinc/35/94/79/609359479.db2.gz HXFVKSBNLRJAMF-AWEZNQCLSA-N -1 3 385.428 0.620 20 0 GCADHM CSCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826229046 609366888 /nfs/dbraw/zinc/36/68/88/609366888.db2.gz MZIYTFAYUFHYSZ-UHFFFAOYSA-N -1 3 390.404 0.609 20 0 GCADHM COC(=O)[C@@H](CO)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826103104 609369058 /nfs/dbraw/zinc/36/90/58/609369058.db2.gz CMUDEMLJTJSTRV-CYBMUJFWSA-N -1 3 383.364 0.923 20 0 GCADHM COC(=O)[C@@H](CO)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826103104 609369059 /nfs/dbraw/zinc/36/90/59/609369059.db2.gz CMUDEMLJTJSTRV-CYBMUJFWSA-N -1 3 383.364 0.923 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826129376 609369108 /nfs/dbraw/zinc/36/91/08/609369108.db2.gz PXMDMRCHAXJXEL-GJZGRUSLSA-N -1 3 388.428 0.135 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826129376 609369109 /nfs/dbraw/zinc/36/91/09/609369109.db2.gz PXMDMRCHAXJXEL-GJZGRUSLSA-N -1 3 388.428 0.135 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826129469 609369260 /nfs/dbraw/zinc/36/92/60/609369260.db2.gz SWLGMOIGMMCFKW-BPUTZDHNSA-N -1 3 391.428 0.259 20 0 GCADHM O=C(Nc1cn[nH]c1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826458982 609369673 /nfs/dbraw/zinc/36/96/73/609369673.db2.gz PIZVEPXHGRHFBN-UHFFFAOYSA-N -1 3 382.319 0.492 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826469348 609376908 /nfs/dbraw/zinc/37/69/08/609376908.db2.gz CXRNKNIRORDTCK-CYBMUJFWSA-N -1 3 393.473 0.661 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826469348 609376911 /nfs/dbraw/zinc/37/69/11/609376911.db2.gz CXRNKNIRORDTCK-CYBMUJFWSA-N -1 3 393.473 0.661 20 0 GCADHM Cn1cc(CN2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000826361120 609379479 /nfs/dbraw/zinc/37/94/79/609379479.db2.gz MBAQOWHRGURPLL-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM Cn1cc(CN2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000826361120 609379482 /nfs/dbraw/zinc/37/94/82/609379482.db2.gz MBAQOWHRGURPLL-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826233453 609383787 /nfs/dbraw/zinc/38/37/87/609383787.db2.gz HUPQHEVPTGEXAP-UHFFFAOYSA-N -1 3 396.455 0.696 20 0 GCADHM CNC(=O)[C@H]1CN(c2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)CCO1 ZINC000826061113 609387142 /nfs/dbraw/zinc/38/71/42/609387142.db2.gz ZYAJDWPGJZEMJH-CQSZACIVSA-N -1 3 392.423 0.927 20 0 GCADHM CNC(=O)[C@H]1CN(c2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)CCO1 ZINC000826061113 609387144 /nfs/dbraw/zinc/38/71/44/609387144.db2.gz ZYAJDWPGJZEMJH-CQSZACIVSA-N -1 3 392.423 0.927 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826421328 609388851 /nfs/dbraw/zinc/38/88/51/609388851.db2.gz CLQUXXSRLOETFM-QGZVFWFLSA-N -1 3 386.456 0.359 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)s1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826472830 609389851 /nfs/dbraw/zinc/38/98/51/609389851.db2.gz YCBRYCAMBPVKLX-GFCCVEGCSA-N -1 3 378.458 0.492 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)s1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826472830 609389854 /nfs/dbraw/zinc/38/98/54/609389854.db2.gz YCBRYCAMBPVKLX-GFCCVEGCSA-N -1 3 378.458 0.492 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CO)c1cnn(C)c1 ZINC000824206203 609392551 /nfs/dbraw/zinc/39/25/51/609392551.db2.gz BBKWQCZKQPNNRN-ZBFHGGJFSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CO)c1cnn(C)c1 ZINC000824206203 609392553 /nfs/dbraw/zinc/39/25/53/609392553.db2.gz BBKWQCZKQPNNRN-ZBFHGGJFSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CO)c1cnn(C)c1 ZINC000824206200 609392563 /nfs/dbraw/zinc/39/25/63/609392563.db2.gz BBKWQCZKQPNNRN-GDBMZVCRSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CO)c1cnn(C)c1 ZINC000824206200 609392564 /nfs/dbraw/zinc/39/25/64/609392564.db2.gz BBKWQCZKQPNNRN-GDBMZVCRSA-N -1 3 385.428 0.853 20 0 GCADHM NC(=O)CCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826390478 609395252 /nfs/dbraw/zinc/39/52/52/609395252.db2.gz BHKSIUKDVMLXAP-UHFFFAOYSA-N -1 3 392.363 0.819 20 0 GCADHM NC(=O)CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826390478 609395255 /nfs/dbraw/zinc/39/52/55/609395255.db2.gz BHKSIUKDVMLXAP-UHFFFAOYSA-N -1 3 392.363 0.819 20 0 GCADHM NC(=O)c1cccc(C(=O)O[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n1 ZINC000826393089 609395981 /nfs/dbraw/zinc/39/59/81/609395981.db2.gz BDXGTKRYIZLJCG-LLVKDONJSA-N -1 3 399.392 0.384 20 0 GCADHM NC(=O)c1cccc(C(=O)O[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n1 ZINC000826393089 609395984 /nfs/dbraw/zinc/39/59/84/609395984.db2.gz BDXGTKRYIZLJCG-LLVKDONJSA-N -1 3 399.392 0.384 20 0 GCADHM CC[C@](C)(CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825043988 609396468 /nfs/dbraw/zinc/39/64/68/609396468.db2.gz LMFWJMCLPNNLHF-MEDUHNTESA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@](C)(CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825043988 609396470 /nfs/dbraw/zinc/39/64/70/609396470.db2.gz LMFWJMCLPNNLHF-MEDUHNTESA-N -1 3 396.473 0.201 20 0 GCADHM CN1C[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C(=O)N1 ZINC000826018313 609396996 /nfs/dbraw/zinc/39/69/96/609396996.db2.gz VNMIUSCTJLDXOU-ZDUSSCGKSA-N -1 3 379.380 0.734 20 0 GCADHM CN1C[C@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C(=O)N1 ZINC000826018313 609396998 /nfs/dbraw/zinc/39/69/98/609396998.db2.gz VNMIUSCTJLDXOU-ZDUSSCGKSA-N -1 3 379.380 0.734 20 0 GCADHM CN1CN(S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)CC1=O ZINC000826045380 609397642 /nfs/dbraw/zinc/39/76/42/609397642.db2.gz VSUCPBQIIFOBLZ-UHFFFAOYSA-N -1 3 387.219 0.049 20 0 GCADHM CN1CN(S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)CC1=O ZINC000826045380 609397643 /nfs/dbraw/zinc/39/76/43/609397643.db2.gz VSUCPBQIIFOBLZ-UHFFFAOYSA-N -1 3 387.219 0.049 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000824634601 609398035 /nfs/dbraw/zinc/39/80/35/609398035.db2.gz VXYIBVDWCHPNJF-SUNKGSAMSA-N -1 3 396.448 0.740 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000824634601 609398037 /nfs/dbraw/zinc/39/80/37/609398037.db2.gz VXYIBVDWCHPNJF-SUNKGSAMSA-N -1 3 396.448 0.740 20 0 GCADHM NS(=O)(=O)CCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826394396 609404792 /nfs/dbraw/zinc/40/47/92/609404792.db2.gz IOKDKWFKYNKXJD-UHFFFAOYSA-N -1 3 388.409 0.677 20 0 GCADHM NS(=O)(=O)CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826394396 609404795 /nfs/dbraw/zinc/40/47/95/609404795.db2.gz IOKDKWFKYNKXJD-UHFFFAOYSA-N -1 3 388.409 0.677 20 0 GCADHM Cc1ccccc1[C@@H](CO)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826305627 609406463 /nfs/dbraw/zinc/40/64/63/609406463.db2.gz DIHRDNXDFGUUGE-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1ccccc1[C@@H](CO)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826305627 609406465 /nfs/dbraw/zinc/40/64/65/609406465.db2.gz DIHRDNXDFGUUGE-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)c1cccc(F)c1 ZINC000826411777 609407379 /nfs/dbraw/zinc/40/73/79/609407379.db2.gz MZDSDZRJEWAFAM-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)c1cccc(F)c1 ZINC000826411777 609407381 /nfs/dbraw/zinc/40/73/81/609407381.db2.gz MZDSDZRJEWAFAM-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM CNC(=O)[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826059983 609410355 /nfs/dbraw/zinc/41/03/55/609410355.db2.gz DLKOPLWMQGGNSO-HNNXBMFYSA-N -1 3 382.428 0.214 20 0 GCADHM CNC(=O)[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826059983 609410357 /nfs/dbraw/zinc/41/03/57/609410357.db2.gz DLKOPLWMQGGNSO-HNNXBMFYSA-N -1 3 382.428 0.214 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cn(C)c1=O ZINC000826269102 609414779 /nfs/dbraw/zinc/41/47/79/609414779.db2.gz AFPLKTIKSQINHM-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cn(C)c1=O ZINC000826269102 609414781 /nfs/dbraw/zinc/41/47/81/609414781.db2.gz AFPLKTIKSQINHM-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000826060349 609418484 /nfs/dbraw/zinc/41/84/84/609418484.db2.gz LJLZCPGLUVONHF-HNNXBMFYSA-N -1 3 388.428 0.389 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000826060349 609418488 /nfs/dbraw/zinc/41/84/88/609418488.db2.gz LJLZCPGLUVONHF-HNNXBMFYSA-N -1 3 388.428 0.389 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)S(N)(=O)=O)c1-c1nnn[n-]1 ZINC000826231752 609418523 /nfs/dbraw/zinc/41/85/23/609418523.db2.gz YGQQRQDJOBACOF-ZETCQYMHSA-N -1 3 397.486 0.268 20 0 GCADHM Cc1nc(SCC(=O)NC[C@@H](C)S(N)(=O)=O)c(-c2nnn[n-]2)c(C)c1C ZINC000826327513 609419120 /nfs/dbraw/zinc/41/91/20/609419120.db2.gz KLNFCWJTWDKLGS-SSDOTTSWSA-N -1 3 399.502 0.072 20 0 GCADHM Cc1nc(SCC(=O)NC[C@@H](C)S(N)(=O)=O)c(-c2nn[n-]n2)c(C)c1C ZINC000826327513 609419122 /nfs/dbraw/zinc/41/91/22/609419122.db2.gz KLNFCWJTWDKLGS-SSDOTTSWSA-N -1 3 399.502 0.072 20 0 GCADHM O=C(C[S@](=O)Cc1ccc(CO)cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826419650 609421869 /nfs/dbraw/zinc/42/18/69/609421869.db2.gz GOJRRSDKRJLPAQ-HHHXNRCGSA-N -1 3 385.449 0.924 20 0 GCADHM COCCCNC(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826156728 609427980 /nfs/dbraw/zinc/42/79/80/609427980.db2.gz REDHJMUZZJFDJL-GFCCVEGCSA-N -1 3 375.433 0.278 20 0 GCADHM COCCCNC(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826156728 609427982 /nfs/dbraw/zinc/42/79/82/609427982.db2.gz REDHJMUZZJFDJL-GFCCVEGCSA-N -1 3 375.433 0.278 20 0 GCADHM CNC(=O)[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2Br)CCO1 ZINC000826060790 609431418 /nfs/dbraw/zinc/43/14/18/609431418.db2.gz SXFBFHGFPHTTHN-GFCCVEGCSA-N -1 3 381.234 0.576 20 0 GCADHM CNC(=O)[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000826060790 609431428 /nfs/dbraw/zinc/43/14/28/609431428.db2.gz SXFBFHGFPHTTHN-GFCCVEGCSA-N -1 3 381.234 0.576 20 0 GCADHM Cn1cnn(CC(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)nc2)c1=O ZINC000826365101 609434471 /nfs/dbraw/zinc/43/44/71/609434471.db2.gz BNHNLQOFXYPAKQ-UHFFFAOYSA-N -1 3 393.367 0.588 20 0 GCADHM Cn1cnn(CC(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)nc2)c1=O ZINC000826365101 609434472 /nfs/dbraw/zinc/43/44/72/609434472.db2.gz BNHNLQOFXYPAKQ-UHFFFAOYSA-N -1 3 393.367 0.588 20 0 GCADHM O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826480072 609438971 /nfs/dbraw/zinc/43/89/71/609438971.db2.gz QLIFUZQKZOTPLD-KBPBESRZSA-N -1 3 377.426 0.625 20 0 GCADHM O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826480072 609438973 /nfs/dbraw/zinc/43/89/73/609438973.db2.gz QLIFUZQKZOTPLD-KBPBESRZSA-N -1 3 377.426 0.625 20 0 GCADHM CCCNC(=O)C[C@@H](C(N)=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000825328972 609439436 /nfs/dbraw/zinc/43/94/36/609439436.db2.gz ZIZKVXSSUGGWAT-HNNXBMFYSA-N -1 3 391.451 0.988 20 0 GCADHM CCCNC(=O)C[C@@H](C(N)=O)N(CCC)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000825328972 609439439 /nfs/dbraw/zinc/43/94/39/609439439.db2.gz ZIZKVXSSUGGWAT-HNNXBMFYSA-N -1 3 391.451 0.988 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000826419248 609440479 /nfs/dbraw/zinc/44/04/79/609440479.db2.gz PMWUKVNKCJGMFT-AWEZNQCLSA-N -1 3 382.355 0.916 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000826419248 609440483 /nfs/dbraw/zinc/44/04/83/609440483.db2.gz PMWUKVNKCJGMFT-AWEZNQCLSA-N -1 3 382.355 0.916 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H](Cn2cncn2)C1 ZINC000826495142 609447759 /nfs/dbraw/zinc/44/77/59/609447759.db2.gz DQGCFUUIKJELKS-LLVKDONJSA-N -1 3 392.420 0.698 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1)N1CCCCCC1 ZINC000826460566 609455397 /nfs/dbraw/zinc/45/53/97/609455397.db2.gz IJCAPFXOPWSNLI-UHFFFAOYSA-N -1 3 384.404 0.441 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1)N1CCCCCC1 ZINC000826460566 609455401 /nfs/dbraw/zinc/45/54/01/609455401.db2.gz IJCAPFXOPWSNLI-UHFFFAOYSA-N -1 3 384.404 0.441 20 0 GCADHM O=C(CN1CCCC1=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826410768 609462991 /nfs/dbraw/zinc/46/29/91/609462991.db2.gz XYBBQWLFYQGBDN-CQSZACIVSA-N -1 3 384.396 0.528 20 0 GCADHM O=C(CN1CCCC1=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826410768 609462993 /nfs/dbraw/zinc/46/29/93/609462993.db2.gz XYBBQWLFYQGBDN-CQSZACIVSA-N -1 3 384.396 0.528 20 0 GCADHM COc1ccnc(N2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)n1 ZINC000826220915 609464301 /nfs/dbraw/zinc/46/43/01/609464301.db2.gz GPUSVVDTFRAQPH-UHFFFAOYSA-N -1 3 378.400 0.640 20 0 GCADHM COc1ccnc(N2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)n1 ZINC000826220915 609464304 /nfs/dbraw/zinc/46/43/04/609464304.db2.gz GPUSVVDTFRAQPH-UHFFFAOYSA-N -1 3 378.400 0.640 20 0 GCADHM CN1C[C@@H](C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826018320 609465051 /nfs/dbraw/zinc/46/50/51/609465051.db2.gz VWOOATNBHBMLHV-GXTWGEPZSA-N -1 3 384.396 0.384 20 0 GCADHM CN1C[C@@H](C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826018320 609465054 /nfs/dbraw/zinc/46/50/54/609465054.db2.gz VWOOATNBHBMLHV-GXTWGEPZSA-N -1 3 384.396 0.384 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)NC(=O)NCC(C)C ZINC000826161849 609482704 /nfs/dbraw/zinc/48/27/04/609482704.db2.gz CFXAYRBJZYBGHS-UHFFFAOYSA-N -1 3 391.432 0.786 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)NC(=O)NCC(C)C ZINC000826161849 609482706 /nfs/dbraw/zinc/48/27/06/609482706.db2.gz CFXAYRBJZYBGHS-UHFFFAOYSA-N -1 3 391.432 0.786 20 0 GCADHM O=S(=O)(C1CN(c2ncccc2-c2nnn[n-]2)C1)N1CCc2ccccc21 ZINC000826483873 609493709 /nfs/dbraw/zinc/49/37/09/609493709.db2.gz DCGRPKIECJMRJL-UHFFFAOYSA-N -1 3 383.437 0.843 20 0 GCADHM O=S(=O)(C1CN(c2ncccc2-c2nn[n-]n2)C1)N1CCc2ccccc21 ZINC000826483873 609493711 /nfs/dbraw/zinc/49/37/11/609493711.db2.gz DCGRPKIECJMRJL-UHFFFAOYSA-N -1 3 383.437 0.843 20 0 GCADHM O=S(=O)([C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1)N1CCOCC1 ZINC000826483839 609494005 /nfs/dbraw/zinc/49/40/05/609494005.db2.gz BRDCVWOHVXRJPM-GFCCVEGCSA-N -1 3 396.448 0.637 20 0 GCADHM O=S(=O)([C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1)N1CCOCC1 ZINC000826483839 609494007 /nfs/dbraw/zinc/49/40/07/609494007.db2.gz BRDCVWOHVXRJPM-GFCCVEGCSA-N -1 3 396.448 0.637 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 ZINC000826254951 609497031 /nfs/dbraw/zinc/49/70/31/609497031.db2.gz GLIJMSGITCOKPB-SNVBAGLBSA-N -1 3 390.429 0.066 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 ZINC000826254951 609497033 /nfs/dbraw/zinc/49/70/33/609497033.db2.gz GLIJMSGITCOKPB-SNVBAGLBSA-N -1 3 390.429 0.066 20 0 GCADHM Cc1nc([C@@H]2COCCN2C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826324845 609497043 /nfs/dbraw/zinc/49/70/43/609497043.db2.gz GUCHWWUKWXKTRN-ZFWWWQNUSA-N -1 3 387.400 0.371 20 0 GCADHM Cc1nc([C@H]2COCCN2CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826324854 609497131 /nfs/dbraw/zinc/49/71/31/609497131.db2.gz HCLKOOYZWPSGGO-CQSZACIVSA-N -1 3 384.400 0.960 20 0 GCADHM Cc1nc([C@H]2COCCN2CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826324854 609497133 /nfs/dbraw/zinc/49/71/33/609497133.db2.gz HCLKOOYZWPSGGO-CQSZACIVSA-N -1 3 384.400 0.960 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)no1 ZINC000826324830 609497176 /nfs/dbraw/zinc/49/71/76/609497176.db2.gz GLFOIRDLDXTMMB-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)no1 ZINC000826324830 609497177 /nfs/dbraw/zinc/49/71/77/609497177.db2.gz GLFOIRDLDXTMMB-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@H]2COCCN2CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826325402 609497897 /nfs/dbraw/zinc/49/78/97/609497897.db2.gz WKMAMDVADKTYPF-CQSZACIVSA-N -1 3 384.400 0.248 20 0 GCADHM Cc1nc([C@H]2COCCN2CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826325402 609497900 /nfs/dbraw/zinc/49/79/00/609497900.db2.gz WKMAMDVADKTYPF-CQSZACIVSA-N -1 3 384.400 0.248 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)CCO2)no1 ZINC000826325475 609497994 /nfs/dbraw/zinc/49/79/94/609497994.db2.gz YWRCNGRHSOTFEW-NSHDSACASA-N -1 3 395.376 0.459 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826010440 609499390 /nfs/dbraw/zinc/49/93/90/609499390.db2.gz IXKMRVDDVPISCI-HNNXBMFYSA-N -1 3 397.439 0.665 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826010440 609499394 /nfs/dbraw/zinc/49/93/94/609499394.db2.gz IXKMRVDDVPISCI-HNNXBMFYSA-N -1 3 397.439 0.665 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cnc(C(=O)OC)cn1 ZINC000826158865 609499747 /nfs/dbraw/zinc/49/97/47/609499747.db2.gz GMBWMXNOBOMZAF-UHFFFAOYSA-N -1 3 397.395 0.732 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc(C(=O)OC)cn1 ZINC000826158865 609499748 /nfs/dbraw/zinc/49/97/48/609499748.db2.gz GMBWMXNOBOMZAF-UHFFFAOYSA-N -1 3 397.395 0.732 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)Cc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826165445 609503146 /nfs/dbraw/zinc/50/31/46/609503146.db2.gz USUVUFABKIPJTE-ZDUSSCGKSA-N -1 3 385.384 0.539 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)Cc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826165445 609503148 /nfs/dbraw/zinc/50/31/48/609503148.db2.gz USUVUFABKIPJTE-ZDUSSCGKSA-N -1 3 385.384 0.539 20 0 GCADHM Cc1nc([C@H]2COCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)no1 ZINC000826325277 609503579 /nfs/dbraw/zinc/50/35/79/609503579.db2.gz SLWOUGCXOMQTFW-ZWNOBZJWSA-N -1 3 385.384 0.926 20 0 GCADHM Cc1nc([C@H]2COCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)no1 ZINC000826325277 609503580 /nfs/dbraw/zinc/50/35/80/609503580.db2.gz SLWOUGCXOMQTFW-ZWNOBZJWSA-N -1 3 385.384 0.926 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncccn2)CC1 ZINC000826485992 609506816 /nfs/dbraw/zinc/50/68/16/609506816.db2.gz KYUOKUJZRMNXHS-UHFFFAOYSA-N -1 3 386.441 0.309 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncccn2)CC1 ZINC000826485992 609506817 /nfs/dbraw/zinc/50/68/17/609506817.db2.gz KYUOKUJZRMNXHS-UHFFFAOYSA-N -1 3 386.441 0.309 20 0 GCADHM NC(=O)[C@@H](N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389489 609508997 /nfs/dbraw/zinc/50/89/97/609508997.db2.gz ZPXHSSPTNSOKQQ-CVEARBPZSA-N -1 3 392.423 0.573 20 0 GCADHM NC(=O)[C@@H](N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389489 609508999 /nfs/dbraw/zinc/50/89/99/609508999.db2.gz ZPXHSSPTNSOKQQ-CVEARBPZSA-N -1 3 392.423 0.573 20 0 GCADHM O=C(NCCn1ccnc1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826440501 609509179 /nfs/dbraw/zinc/50/91/79/609509179.db2.gz OJMJOUNHZRPCQG-OAHLLOKOSA-N -1 3 395.427 0.558 20 0 GCADHM CCOCCNC(=S)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825598772 609509953 /nfs/dbraw/zinc/50/99/53/609509953.db2.gz BRQJIPJXACNGKE-CQSZACIVSA-N -1 3 389.485 0.863 20 0 GCADHM CCOCCNC(=S)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825598772 609509954 /nfs/dbraw/zinc/50/99/54/609509954.db2.gz BRQJIPJXACNGKE-CQSZACIVSA-N -1 3 389.485 0.863 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000824738466 609513961 /nfs/dbraw/zinc/51/39/61/609513961.db2.gz PAKSPWRTMBLLSE-SMDDNHRTSA-N -1 3 379.442 0.718 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000826328724 609544193 /nfs/dbraw/zinc/54/41/93/609544193.db2.gz AKOHUJGPPCKNSP-SNVBAGLBSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000826328724 609544194 /nfs/dbraw/zinc/54/41/94/609544194.db2.gz AKOHUJGPPCKNSP-SNVBAGLBSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000826328723 609544336 /nfs/dbraw/zinc/54/43/36/609544336.db2.gz AKOHUJGPPCKNSP-JTQLQIEISA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000826328723 609544338 /nfs/dbraw/zinc/54/43/38/609544338.db2.gz AKOHUJGPPCKNSP-JTQLQIEISA-N -1 3 394.848 0.713 20 0 GCADHM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826157713 609545759 /nfs/dbraw/zinc/54/57/59/609545759.db2.gz IFDQBMOATHQEOL-MRVPVSSYSA-N -1 3 388.837 0.031 20 0 GCADHM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826157713 609545760 /nfs/dbraw/zinc/54/57/60/609545760.db2.gz IFDQBMOATHQEOL-MRVPVSSYSA-N -1 3 388.837 0.031 20 0 GCADHM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826157714 609545778 /nfs/dbraw/zinc/54/57/78/609545778.db2.gz IFDQBMOATHQEOL-QMMMGPOBSA-N -1 3 388.837 0.031 20 0 GCADHM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826157714 609545779 /nfs/dbraw/zinc/54/57/79/609545779.db2.gz IFDQBMOATHQEOL-QMMMGPOBSA-N -1 3 388.837 0.031 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826491478 609546672 /nfs/dbraw/zinc/54/66/72/609546672.db2.gz LDTYHKOAAAIYJJ-SNVBAGLBSA-N -1 3 387.849 0.852 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826491478 609546673 /nfs/dbraw/zinc/54/66/73/609546673.db2.gz LDTYHKOAAAIYJJ-SNVBAGLBSA-N -1 3 387.849 0.852 20 0 GCADHM CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825466021 609547552 /nfs/dbraw/zinc/54/75/52/609547552.db2.gz VXMRMFJTTJYGJE-NSHDSACASA-N -1 3 386.865 0.519 20 0 GCADHM CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825466021 609547553 /nfs/dbraw/zinc/54/75/53/609547553.db2.gz VXMRMFJTTJYGJE-NSHDSACASA-N -1 3 386.865 0.519 20 0 GCADHM O=S(=O)(NC[C@@H](O)C1CCOCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826489698 609550360 /nfs/dbraw/zinc/55/03/60/609550360.db2.gz XKPPUFPKBNFGMO-GFCCVEGCSA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NC[C@@H](O)C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826489698 609550362 /nfs/dbraw/zinc/55/03/62/609550362.db2.gz XKPPUFPKBNFGMO-GFCCVEGCSA-N -1 3 387.849 0.586 20 0 GCADHM CSC[C@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826226944 609550733 /nfs/dbraw/zinc/55/07/33/609550733.db2.gz IZFNBEMFTICQHB-GFCCVEGCSA-N -1 3 377.879 0.912 20 0 GCADHM CSC[C@](C)(O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826226944 609550735 /nfs/dbraw/zinc/55/07/35/609550735.db2.gz IZFNBEMFTICQHB-GFCCVEGCSA-N -1 3 377.879 0.912 20 0 GCADHM COCCOC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826161241 609552508 /nfs/dbraw/zinc/55/25/08/609552508.db2.gz YNRJHCGZIOWTEL-VIFPVBQESA-N -1 3 375.838 0.850 20 0 GCADHM COCCOC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826161241 609552511 /nfs/dbraw/zinc/55/25/11/609552511.db2.gz YNRJHCGZIOWTEL-VIFPVBQESA-N -1 3 375.838 0.850 20 0 GCADHM Cc1ccnc(NCCS(=O)(=O)NC[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826314149 609552525 /nfs/dbraw/zinc/55/25/25/609552525.db2.gz IVYARTPCFMEJTG-GFCCVEGCSA-N -1 3 381.462 0.471 20 0 GCADHM Cc1ccnc(NCCS(=O)(=O)NC[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826314149 609552528 /nfs/dbraw/zinc/55/25/28/609552528.db2.gz IVYARTPCFMEJTG-GFCCVEGCSA-N -1 3 381.462 0.471 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)[S@@](C)=O ZINC000824402104 609557381 /nfs/dbraw/zinc/55/73/81/609557381.db2.gz UETJEETYPVELLJ-QSIZCVBASA-N -1 3 377.879 0.956 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)[S@@](C)=O ZINC000824402104 609557383 /nfs/dbraw/zinc/55/73/83/609557383.db2.gz UETJEETYPVELLJ-QSIZCVBASA-N -1 3 377.879 0.956 20 0 GCADHM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)C[C@H]21 ZINC000826044848 609557755 /nfs/dbraw/zinc/55/77/55/609557755.db2.gz LDZXQIRJBPHQPF-VXGBXAGGSA-N -1 3 384.849 0.224 20 0 GCADHM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)C[C@H]21 ZINC000826044848 609557757 /nfs/dbraw/zinc/55/77/57/609557757.db2.gz LDZXQIRJBPHQPF-VXGBXAGGSA-N -1 3 384.849 0.224 20 0 GCADHM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)C[C@@H]21 ZINC000826044844 609557963 /nfs/dbraw/zinc/55/79/63/609557963.db2.gz LDZXQIRJBPHQPF-NWDGAFQWSA-N -1 3 384.849 0.224 20 0 GCADHM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)C[C@@H]21 ZINC000826044844 609557966 /nfs/dbraw/zinc/55/79/66/609557966.db2.gz LDZXQIRJBPHQPF-NWDGAFQWSA-N -1 3 384.849 0.224 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)[C@@H]2CCCC[C@H]2N1 ZINC000826481103 609558603 /nfs/dbraw/zinc/55/86/03/609558603.db2.gz HQPRIXLNCIJWDP-VXGBXAGGSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)[C@@H]2CCCC[C@H]2N1 ZINC000826481103 609558606 /nfs/dbraw/zinc/55/86/06/609558606.db2.gz HQPRIXLNCIJWDP-VXGBXAGGSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)CCN12 ZINC000826483085 609558845 /nfs/dbraw/zinc/55/88/45/609558845.db2.gz ACLKGDNORVTRBG-SECBINFHSA-N -1 3 384.805 0.345 20 0 GCADHM O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)CCN12 ZINC000826483085 609558847 /nfs/dbraw/zinc/55/88/47/609558847.db2.gz ACLKGDNORVTRBG-SECBINFHSA-N -1 3 384.805 0.345 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826227795 609562446 /nfs/dbraw/zinc/56/24/46/609562446.db2.gz XVFVRFRQIYECLX-XCBNKYQSSA-N -1 3 377.879 0.911 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826227795 609562447 /nfs/dbraw/zinc/56/24/47/609562447.db2.gz XVFVRFRQIYECLX-XCBNKYQSSA-N -1 3 377.879 0.911 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826060792 609565182 /nfs/dbraw/zinc/56/51/82/609565182.db2.gz SYQBBLNFMLARHR-GXSJLCMTSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826060792 609565184 /nfs/dbraw/zinc/56/51/84/609565184.db2.gz SYQBBLNFMLARHR-GXSJLCMTSA-N -1 3 384.849 0.713 20 0 GCADHM CCc1nncn1CCNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825771830 609569268 /nfs/dbraw/zinc/56/92/68/609569268.db2.gz SWWRSMAGKTYTEW-UHFFFAOYSA-N -1 3 392.427 0.945 20 0 GCADHM CCc1nncn1CCNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825771830 609569270 /nfs/dbraw/zinc/56/92/70/609569270.db2.gz SWWRSMAGKTYTEW-UHFFFAOYSA-N -1 3 392.427 0.945 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)Cc2cnc(N(C)C)nc2)c1-c1nnn[n-]1 ZINC000826300954 609574600 /nfs/dbraw/zinc/57/46/00/609574600.db2.gz MRKORQWMOZJOBK-UHFFFAOYSA-N -1 3 388.457 0.852 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)Cc2cnc(N(C)C)nc2)c1-c1nn[n-]n1 ZINC000826300954 609574603 /nfs/dbraw/zinc/57/46/03/609574603.db2.gz MRKORQWMOZJOBK-UHFFFAOYSA-N -1 3 388.457 0.852 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258066 609576807 /nfs/dbraw/zinc/57/68/07/609576807.db2.gz YEGLOHYARAYTPT-IAGOWNOFSA-N -1 3 394.439 0.516 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258066 609576809 /nfs/dbraw/zinc/57/68/09/609576809.db2.gz YEGLOHYARAYTPT-IAGOWNOFSA-N -1 3 394.439 0.516 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258065 609576946 /nfs/dbraw/zinc/57/69/46/609576946.db2.gz YEGLOHYARAYTPT-DLBZAZTESA-N -1 3 394.439 0.516 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3OCCN(C)[C@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258065 609576947 /nfs/dbraw/zinc/57/69/47/609576947.db2.gz YEGLOHYARAYTPT-DLBZAZTESA-N -1 3 394.439 0.516 20 0 GCADHM CCCN(C)S(=O)(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825300844 609584557 /nfs/dbraw/zinc/58/45/57/609584557.db2.gz FBTMYZPPKBXZSI-AWEZNQCLSA-N -1 3 393.473 0.538 20 0 GCADHM CC(C)NS(=O)(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824305689 609584673 /nfs/dbraw/zinc/58/46/73/609584673.db2.gz SSFAZJABEQONKV-ZDUSSCGKSA-N -1 3 379.446 0.195 20 0 GCADHM O=C1[C@H](NS(=O)(=O)CCCF)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476629 609585569 /nfs/dbraw/zinc/58/55/69/609585569.db2.gz LNAPGJRLCUHGAI-CYBMUJFWSA-N -1 3 382.421 0.641 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CN1C1CC1 ZINC000826479035 609585776 /nfs/dbraw/zinc/58/57/76/609585776.db2.gz OSSJNICPWSZYHA-VIFPVBQESA-N -1 3 380.405 0.295 20 0 GCADHM CCN(CC)S(=O)(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825417668 609586359 /nfs/dbraw/zinc/58/63/59/609586359.db2.gz SIUQZOJPCRRHIC-CQSZACIVSA-N -1 3 393.473 0.538 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC([C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826394324 609591101 /nfs/dbraw/zinc/59/11/01/609591101.db2.gz FYBIRYQHFVHSHU-GFCCVEGCSA-N -1 3 378.458 0.767 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC([C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826394324 609591102 /nfs/dbraw/zinc/59/11/02/609591102.db2.gz FYBIRYQHFVHSHU-GFCCVEGCSA-N -1 3 378.458 0.767 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826398712 609597083 /nfs/dbraw/zinc/59/70/83/609597083.db2.gz CYSSSVYVUIWKQM-NSHDSACASA-N -1 3 394.432 0.089 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826398712 609597086 /nfs/dbraw/zinc/59/70/86/609597086.db2.gz CYSSSVYVUIWKQM-NSHDSACASA-N -1 3 394.432 0.089 20 0 GCADHM C[S@](=O)CCNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826224698 609603259 /nfs/dbraw/zinc/60/32/59/609603259.db2.gz KENFRZZPFIWCKA-CEXHIMGSSA-N -1 3 391.457 0.040 20 0 GCADHM C[S@](=O)CCNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826224698 609603260 /nfs/dbraw/zinc/60/32/60/609603260.db2.gz KENFRZZPFIWCKA-CEXHIMGSSA-N -1 3 391.457 0.040 20 0 GCADHM Cc1nc(CNC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)no1 ZINC000826326301 609604846 /nfs/dbraw/zinc/60/48/46/609604846.db2.gz JUVBZJQRSIVGAU-ZDUSSCGKSA-N -1 3 397.399 0.553 20 0 GCADHM Cc1nc(CNC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)no1 ZINC000826326301 609604848 /nfs/dbraw/zinc/60/48/48/609604848.db2.gz JUVBZJQRSIVGAU-ZDUSSCGKSA-N -1 3 397.399 0.553 20 0 GCADHM O=C(NCCCn1ccnn1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826437670 609606878 /nfs/dbraw/zinc/60/68/78/609606878.db2.gz WTZDZSDADDWSEH-UHFFFAOYSA-N -1 3 397.447 0.212 20 0 GCADHM O=C(NCCCn1ccnn1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826437670 609606880 /nfs/dbraw/zinc/60/68/80/609606880.db2.gz WTZDZSDADDWSEH-UHFFFAOYSA-N -1 3 397.447 0.212 20 0 GCADHM CCOC(=O)CCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825506108 609608482 /nfs/dbraw/zinc/60/84/82/609608482.db2.gz FABJOLVJMRZGPY-AWEZNQCLSA-N -1 3 386.412 0.822 20 0 GCADHM CCOC(=O)CCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825506108 609608485 /nfs/dbraw/zinc/60/84/85/609608485.db2.gz FABJOLVJMRZGPY-AWEZNQCLSA-N -1 3 386.412 0.822 20 0 GCADHM Cn1cc(C=CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826359587 609609082 /nfs/dbraw/zinc/60/90/82/609609082.db2.gz LHVKHHPRJBHAJT-VCELZJIISA-N -1 3 392.423 0.925 20 0 GCADHM Cn1cc(C=CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826359587 609609084 /nfs/dbraw/zinc/60/90/84/609609084.db2.gz LHVKHHPRJBHAJT-VCELZJIISA-N -1 3 392.423 0.925 20 0 GCADHM Cn1cc(C=CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826359588 609609127 /nfs/dbraw/zinc/60/91/27/609609127.db2.gz LHVKHHPRJBHAJT-VCIFKONDSA-N -1 3 392.423 0.925 20 0 GCADHM Cn1cc(C=CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826359588 609609129 /nfs/dbraw/zinc/60/91/29/609609129.db2.gz LHVKHHPRJBHAJT-VCIFKONDSA-N -1 3 392.423 0.925 20 0 GCADHM Cc1nnccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826338436 609609366 /nfs/dbraw/zinc/60/93/66/609609366.db2.gz VOBZNODJBQTZHM-OAHLLOKOSA-N -1 3 378.396 0.891 20 0 GCADHM Cc1nnccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826338436 609609367 /nfs/dbraw/zinc/60/93/67/609609367.db2.gz VOBZNODJBQTZHM-OAHLLOKOSA-N -1 3 378.396 0.891 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826404476 609611013 /nfs/dbraw/zinc/61/10/13/609611013.db2.gz BUFBLVGGEKDJBK-BXUZGUMPSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826404476 609611015 /nfs/dbraw/zinc/61/10/15/609611015.db2.gz BUFBLVGGEKDJBK-BXUZGUMPSA-N -1 3 384.396 0.432 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824065165 609611595 /nfs/dbraw/zinc/61/15/95/609611595.db2.gz UUFDPNNANRVMAY-AWEZNQCLSA-N -1 3 399.455 0.641 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824065165 609611597 /nfs/dbraw/zinc/61/15/97/609611597.db2.gz UUFDPNNANRVMAY-AWEZNQCLSA-N -1 3 399.455 0.641 20 0 GCADHM O=C(CCN1CCCS1(=O)=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826407533 609617599 /nfs/dbraw/zinc/61/75/99/609617599.db2.gz QOLVJEIMXHUBGR-UHFFFAOYSA-N -1 3 385.833 0.989 20 0 GCADHM O=C(CCN1CCCS1(=O)=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826407533 609617600 /nfs/dbraw/zinc/61/76/00/609617600.db2.gz QOLVJEIMXHUBGR-UHFFFAOYSA-N -1 3 385.833 0.989 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000825318353 609620328 /nfs/dbraw/zinc/62/03/28/609620328.db2.gz MBNFFNWUDRUEKH-UHFFFAOYSA-N -1 3 397.443 0.941 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@H](C(=O)OC)C1 ZINC000826134508 609624795 /nfs/dbraw/zinc/62/47/95/609624795.db2.gz XDJLUMOQTHVCAQ-SCZZXKLOSA-N -1 3 379.398 0.495 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@H](C(=O)OC)C1 ZINC000826134508 609624796 /nfs/dbraw/zinc/62/47/96/609624796.db2.gz XDJLUMOQTHVCAQ-SCZZXKLOSA-N -1 3 379.398 0.495 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826134180 609624833 /nfs/dbraw/zinc/62/48/33/609624833.db2.gz UETVVZCBECZRHT-GXTWGEPZSA-N -1 3 387.396 0.742 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826134180 609624834 /nfs/dbraw/zinc/62/48/34/609624834.db2.gz UETVVZCBECZRHT-GXTWGEPZSA-N -1 3 387.396 0.742 20 0 GCADHM CCNC(=O)NC(=O)COC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825471356 609626235 /nfs/dbraw/zinc/62/62/35/609626235.db2.gz SMPPGPRBFHTFLH-UHFFFAOYSA-N -1 3 398.383 0.363 20 0 GCADHM CCNC(=O)NC(=O)COC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825471356 609626236 /nfs/dbraw/zinc/62/62/36/609626236.db2.gz SMPPGPRBFHTFLH-UHFFFAOYSA-N -1 3 398.383 0.363 20 0 GCADHM CCOCCNC(=O)COC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825598746 609626416 /nfs/dbraw/zinc/62/64/16/609626416.db2.gz BMCUQGXIWYKQMX-UHFFFAOYSA-N -1 3 399.411 0.670 20 0 GCADHM CCOCCNC(=O)COC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825598746 609626418 /nfs/dbraw/zinc/62/64/18/609626418.db2.gz BMCUQGXIWYKQMX-UHFFFAOYSA-N -1 3 399.411 0.670 20 0 GCADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCCO1 ZINC000824705732 609628641 /nfs/dbraw/zinc/62/86/41/609628641.db2.gz CRCKOKDDPMQDHC-ZLKJLUDKSA-N -1 3 375.385 0.127 20 0 GCADHM C[C@H](OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCO1 ZINC000824705732 609628642 /nfs/dbraw/zinc/62/86/42/609628642.db2.gz CRCKOKDDPMQDHC-ZLKJLUDKSA-N -1 3 375.385 0.127 20 0 GCADHM CCOCCCNC(=O)[C@H](C)OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825594757 609629298 /nfs/dbraw/zinc/62/92/98/609629298.db2.gz QBCOBZNSBXTIAH-SMDDNHRTSA-N -1 3 377.401 0.375 20 0 GCADHM CCOCCCNC(=O)[C@H](C)OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825594757 609629300 /nfs/dbraw/zinc/62/93/00/609629300.db2.gz QBCOBZNSBXTIAH-SMDDNHRTSA-N -1 3 377.401 0.375 20 0 GCADHM O=C(COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)NCCc1ccc(F)cc1 ZINC000826415181 609629522 /nfs/dbraw/zinc/62/95/22/609629522.db2.gz VMRKSPPWNJKQND-KRWDZBQOSA-N -1 3 399.382 0.941 20 0 GCADHM O=C(COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)NCCc1ccc(F)cc1 ZINC000826415181 609629524 /nfs/dbraw/zinc/62/95/24/609629524.db2.gz VMRKSPPWNJKQND-KRWDZBQOSA-N -1 3 399.382 0.941 20 0 GCADHM 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/nfs/dbraw/zinc/34/13/38/945341338.db2.gz HYPVTGJPXYJTFD-PRHQYYMVSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001571257726 945341348 /nfs/dbraw/zinc/34/13/48/945341348.db2.gz HYPVTGJPXYJTFD-PRHQYYMVSA-N -1 3 385.428 0.197 20 0 GCADHM CCn1nc(C)c(C(=O)NC2CN(Cc3cc(F)ccc3-c3nnn[n-]3)C2)n1 ZINC001571257584 945341748 /nfs/dbraw/zinc/34/17/48/945341748.db2.gz GKDJZKYIJFEFKX-UHFFFAOYSA-N -1 3 385.407 0.540 20 0 GCADHM CCn1nc(C)c(C(=O)NC2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)n1 ZINC001571257584 945341758 /nfs/dbraw/zinc/34/17/58/945341758.db2.gz GKDJZKYIJFEFKX-UHFFFAOYSA-N -1 3 385.407 0.540 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001571257720 945342823 /nfs/dbraw/zinc/34/28/23/945342823.db2.gz HTZYDQKXFASJFJ-ZNLHFFCSSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001571257720 945342833 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LEEJDKXGIOSRIY-VEPFAGFCSA-N -1 3 385.428 0.197 20 0 GCADHM Cc1c(CC(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)cnn1C ZINC001571258075 945348281 /nfs/dbraw/zinc/34/82/81/945348281.db2.gz MGUFSNFJZIWTCX-ZDUSSCGKSA-N -1 3 385.407 0.380 20 0 GCADHM Cc1c(CC(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)cnn1C ZINC001571258075 945348293 /nfs/dbraw/zinc/34/82/93/945348293.db2.gz MGUFSNFJZIWTCX-ZDUSSCGKSA-N -1 3 385.407 0.380 20 0 GCADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000820116255 945355586 /nfs/dbraw/zinc/35/55/86/945355586.db2.gz GBORPEFRVPABKG-UHFFFAOYSA-N -1 3 385.428 0.934 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000820116255 945355598 /nfs/dbraw/zinc/35/55/98/945355598.db2.gz GBORPEFRVPABKG-UHFFFAOYSA-N -1 3 385.428 0.934 20 0 GCADHM C[C@H]1C[C@H](C(=O)N2CC3(C2)CCN(C(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)CO1 ZINC001571258551 945356330 /nfs/dbraw/zinc/35/63/30/945356330.db2.gz VUNPTZCNJCPXKV-RYUDHWBXSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H]1C[C@H](C(=O)N2CC3(C2)CCN(C(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)CO1 ZINC001571258551 945356337 /nfs/dbraw/zinc/35/63/37/945356337.db2.gz VUNPTZCNJCPXKV-RYUDHWBXSA-N -1 3 385.428 0.294 20 0 GCADHM Cc1ccnn1CC(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571258712 945361590 /nfs/dbraw/zinc/36/15/90/945361590.db2.gz ZXCRPVQQDBEIAE-UHFFFAOYSA-N -1 3 385.407 0.691 20 0 GCADHM Cc1ccnn1CC(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571258712 945361602 /nfs/dbraw/zinc/36/16/02/945361602.db2.gz ZXCRPVQQDBEIAE-UHFFFAOYSA-N -1 3 385.407 0.691 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@]23CCOC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571258782 945363919 /nfs/dbraw/zinc/36/39/19/945363919.db2.gz BFYOMWLNBSWOAV-VMWDTQKESA-N -1 3 385.428 0.246 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2C[C@]23CCOC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571258782 945363934 /nfs/dbraw/zinc/36/39/34/945363934.db2.gz BFYOMWLNBSWOAV-VMWDTQKESA-N -1 3 385.428 0.246 20 0 GCADHM CC(C)Cc1nc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571258760 945364358 /nfs/dbraw/zinc/36/43/58/945364358.db2.gz AXHFINILCLGOIZ-GFCCVEGCSA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)Cc1nc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571258760 945364369 /nfs/dbraw/zinc/36/43/69/945364369.db2.gz AXHFINILCLGOIZ-GFCCVEGCSA-N -1 3 385.432 0.781 20 0 GCADHM O=C(NC1CC(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571258784 945364420 /nfs/dbraw/zinc/36/44/20/945364420.db2.gz BGRUKOMPIQEMFK-ZHYLFVTJSA-N -1 3 385.428 0.387 20 0 GCADHM O=C(NC1CC(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571258784 945364432 /nfs/dbraw/zinc/36/44/32/945364432.db2.gz BGRUKOMPIQEMFK-ZHYLFVTJSA-N -1 3 385.428 0.387 20 0 GCADHM CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735585833 944672948 /nfs/dbraw/zinc/67/29/48/944672948.db2.gz GWUDCXUKRJMHNR-UHFFFAOYSA-N -1 3 396.448 0.885 20 0 GCADHM CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735585833 944672959 /nfs/dbraw/zinc/67/29/59/944672959.db2.gz GWUDCXUKRJMHNR-UHFFFAOYSA-N -1 3 396.448 0.885 20 0 GCADHM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735685111 944691703 /nfs/dbraw/zinc/69/17/03/944691703.db2.gz OEYIDVMAFBLCDS-UHFFFAOYSA-N -1 3 396.448 0.931 20 0 GCADHM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735685111 944691705 /nfs/dbraw/zinc/69/17/05/944691705.db2.gz OEYIDVMAFBLCDS-UHFFFAOYSA-N -1 3 396.448 0.931 20 0 GCADHM CC(C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735701713 944692230 /nfs/dbraw/zinc/69/22/30/944692230.db2.gz KNZIKMSDNZNKGV-CYBMUJFWSA-N -1 3 392.485 0.992 20 0 GCADHM CC(C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735701713 944692237 /nfs/dbraw/zinc/69/22/37/944692237.db2.gz KNZIKMSDNZNKGV-CYBMUJFWSA-N -1 3 392.485 0.992 20 0 GCADHM CCC1(O)CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CC1 ZINC000736394725 944812310 /nfs/dbraw/zinc/81/23/10/944812310.db2.gz FBZSNGLJBOYHQX-SFHVURJKSA-N -1 3 399.455 0.828 20 0 GCADHM CCC1(O)CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CC1 ZINC000736394725 944812315 /nfs/dbraw/zinc/81/23/15/944812315.db2.gz FBZSNGLJBOYHQX-SFHVURJKSA-N -1 3 399.455 0.828 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736655313 944863133 /nfs/dbraw/zinc/86/31/33/944863133.db2.gz BICNIYLQSWMGHR-NEPJUHHUSA-N -1 3 381.458 0.916 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736655313 944863138 /nfs/dbraw/zinc/86/31/38/944863138.db2.gz BICNIYLQSWMGHR-NEPJUHHUSA-N -1 3 381.458 0.916 20 0 GCADHM COC(=O)N[C@@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC000736934301 944914289 /nfs/dbraw/zinc/91/42/89/944914289.db2.gz ACKIIBAAXXCLNI-CQSZACIVSA-N -1 3 388.432 0.291 20 0 GCADHM COC(=O)N[C@@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC000736934301 944914298 /nfs/dbraw/zinc/91/42/98/944914298.db2.gz ACKIIBAAXXCLNI-CQSZACIVSA-N -1 3 388.432 0.291 20 0 GCADHM COCCCNC(=O)CN(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736987019 944926912 /nfs/dbraw/zinc/92/69/12/944926912.db2.gz SUPVLTNJXMDEAZ-UHFFFAOYSA-N -1 3 378.458 0.570 20 0 GCADHM COCCCNC(=O)CN(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736987019 944926919 /nfs/dbraw/zinc/92/69/19/944926919.db2.gz SUPVLTNJXMDEAZ-UHFFFAOYSA-N -1 3 378.458 0.570 20 0 GCADHM COc1ccc(C(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000737072178 944944538 /nfs/dbraw/zinc/94/45/38/944944538.db2.gz RCDHONHZIFSQGT-UHFFFAOYSA-N -1 3 378.356 0.229 20 0 GCADHM COc1ccccc1CN(CCO)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737150016 944970528 /nfs/dbraw/zinc/97/05/28/944970528.db2.gz JVQKVHAVYCYGMC-UHFFFAOYSA-N -1 3 396.451 0.986 20 0 GCADHM COc1ccccc1CN(CCO)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737150016 944970537 /nfs/dbraw/zinc/97/05/37/944970537.db2.gz JVQKVHAVYCYGMC-UHFFFAOYSA-N -1 3 396.451 0.986 20 0 GCADHM CCc1noc(CN[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2(C)C)n1 ZINC001571258973 945371618 /nfs/dbraw/zinc/37/16/18/945371618.db2.gz GBAJFJUUHIYTIM-LBPRGKRZSA-N -1 3 385.432 0.781 20 0 GCADHM CCc1noc(CN[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2(C)C)n1 ZINC001571258973 945371627 /nfs/dbraw/zinc/37/16/27/945371627.db2.gz GBAJFJUUHIYTIM-LBPRGKRZSA-N -1 3 385.432 0.781 20 0 GCADHM CCn1ccc(CN2CCOC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571259018 945372689 /nfs/dbraw/zinc/37/26/89/945372689.db2.gz GLMBNRLXFDYSRT-CQSZACIVSA-N -1 3 385.432 0.042 20 0 GCADHM CCn1ccc(CN2CCOC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571259018 945372701 /nfs/dbraw/zinc/37/27/01/945372701.db2.gz GLMBNRLXFDYSRT-CQSZACIVSA-N -1 3 385.432 0.042 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571259083 945376067 /nfs/dbraw/zinc/37/60/67/945376067.db2.gz GZPOMUBRAQKHCH-ZNMIVQPWSA-N -1 3 385.428 0.247 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571259083 945376076 /nfs/dbraw/zinc/37/60/76/945376076.db2.gz GZPOMUBRAQKHCH-ZNMIVQPWSA-N -1 3 385.428 0.247 20 0 GCADHM O=C(N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)[C@]12C[C@H]1COC2 ZINC001571259164 945376813 /nfs/dbraw/zinc/37/68/13/945376813.db2.gz IPFIXLVDCPKIGQ-YEWDVWPNSA-N -1 3 385.428 0.328 20 0 GCADHM O=C(N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)[C@]12C[C@H]1COC2 ZINC001571259164 945376823 /nfs/dbraw/zinc/37/68/23/945376823.db2.gz IPFIXLVDCPKIGQ-YEWDVWPNSA-N -1 3 385.428 0.328 20 0 GCADHM O=C(N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)[C@]12C[C@H]1COC2 ZINC001571259163 945377331 /nfs/dbraw/zinc/37/73/31/945377331.db2.gz IPFIXLVDCPKIGQ-WRSAYESZSA-N -1 3 385.428 0.328 20 0 GCADHM O=C(N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)[C@]12C[C@H]1COC2 ZINC001571259163 945377343 /nfs/dbraw/zinc/37/73/43/945377343.db2.gz IPFIXLVDCPKIGQ-WRSAYESZSA-N -1 3 385.428 0.328 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC2(C1)CCCN(C(=O)[C@@H]1CCCO1)C2 ZINC001571259265 945379845 /nfs/dbraw/zinc/37/98/45/945379845.db2.gz KFZSGDQACIBGFJ-AWEZNQCLSA-N -1 3 385.428 0.438 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC2(C1)CCCN(C(=O)[C@@H]1CCCO1)C2 ZINC001571259265 945379855 /nfs/dbraw/zinc/37/98/55/945379855.db2.gz KFZSGDQACIBGFJ-AWEZNQCLSA-N -1 3 385.428 0.438 20 0 GCADHM CC(C)c1nc(C[S@@](=O)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000820203480 945381372 /nfs/dbraw/zinc/38/13/72/945381372.db2.gz USPOONAOIVRLJM-HHHXNRCGSA-N -1 3 389.441 0.938 20 0 GCADHM CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259376 945385275 /nfs/dbraw/zinc/38/52/75/945385275.db2.gz MFHAWGUKTADCQW-RBDSIQFVSA-N -1 3 385.428 0.197 20 0 GCADHM CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259376 945385282 /nfs/dbraw/zinc/38/52/82/945385282.db2.gz MFHAWGUKTADCQW-RBDSIQFVSA-N -1 3 385.428 0.197 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571259372 945385350 /nfs/dbraw/zinc/38/53/50/945385350.db2.gz MDVKPFXEPCZHHV-JMSVASOKSA-N -1 3 385.428 0.341 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571259372 945385360 /nfs/dbraw/zinc/38/53/60/945385360.db2.gz MDVKPFXEPCZHHV-JMSVASOKSA-N -1 3 385.428 0.341 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@]23CCOC3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259393 945385707 /nfs/dbraw/zinc/38/57/07/945385707.db2.gz MLANCNBQTZIVPA-DEDUFFMVSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@]23CCOC3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259393 945385719 /nfs/dbraw/zinc/38/57/19/945385719.db2.gz MLANCNBQTZIVPA-DEDUFFMVSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)C2=CCOCC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571259423 945385961 /nfs/dbraw/zinc/38/59/61/945385961.db2.gz NCOACGZGPOSOJZ-GFCCVEGCSA-N -1 3 385.428 0.510 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)C2=CCOCC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571259423 945385969 /nfs/dbraw/zinc/38/59/69/945385969.db2.gz NCOACGZGPOSOJZ-GFCCVEGCSA-N -1 3 385.428 0.510 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@H]2CCN(C(=O)[C@H]3CCOC3)C[C@H]2C1 ZINC001571259453 945388370 /nfs/dbraw/zinc/38/83/70/945388370.db2.gz NKUWJPLWJPFVHK-DYEKYZERSA-N -1 3 385.428 0.152 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@H]2CCN(C(=O)[C@H]3CCOC3)C[C@H]2C1 ZINC001571259453 945388380 /nfs/dbraw/zinc/38/83/80/945388380.db2.gz NKUWJPLWJPFVHK-DYEKYZERSA-N -1 3 385.428 0.152 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)CN1CCCNC1=O ZINC001571259591 945391426 /nfs/dbraw/zinc/39/14/26/945391426.db2.gz OZQPEJJPVISCDE-AAEUAGOBSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)CN1CCCNC1=O ZINC001571259591 945391437 /nfs/dbraw/zinc/39/14/37/945391437.db2.gz OZQPEJJPVISCDE-AAEUAGOBSA-N -1 3 385.432 0.078 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259600 945393049 /nfs/dbraw/zinc/39/30/49/945393049.db2.gz PBYZWENXRKNPDG-QKZHPOIUSA-N -1 3 385.428 0.387 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259600 945393062 /nfs/dbraw/zinc/39/30/62/945393062.db2.gz PBYZWENXRKNPDG-QKZHPOIUSA-N -1 3 385.428 0.387 20 0 GCADHM CCc1noc(CN[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)n1 ZINC001571259613 945393696 /nfs/dbraw/zinc/39/36/96/945393696.db2.gz PFJZKDXAKRFQQP-LBPRGKRZSA-N -1 3 385.432 0.781 20 0 GCADHM CCc1noc(CN[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)n1 ZINC001571259613 945393707 /nfs/dbraw/zinc/39/37/07/945393707.db2.gz PFJZKDXAKRFQQP-LBPRGKRZSA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571259758 945399151 /nfs/dbraw/zinc/39/91/51/945399151.db2.gz QOWMEYPUXNEGMI-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571259758 945399168 /nfs/dbraw/zinc/39/91/68/945399168.db2.gz QOWMEYPUXNEGMI-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)N1CCOCC1 ZINC000820262468 945402266 /nfs/dbraw/zinc/40/22/66/945402266.db2.gz WRBVIPGKBTWGCU-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)N1CCOCC1 ZINC000820262468 945402271 /nfs/dbraw/zinc/40/22/71/945402271.db2.gz WRBVIPGKBTWGCU-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM CCc1nnc([C@@H](C)NC2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001571259936 945404131 /nfs/dbraw/zinc/40/41/31/945404131.db2.gz SHYUTCATOODFEX-GRZMOONWSA-N -1 3 385.432 0.999 20 0 GCADHM CCc1nnc([C@@H](C)NC2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001571259936 945404141 /nfs/dbraw/zinc/40/41/41/945404141.db2.gz SHYUTCATOODFEX-GRZMOONWSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820286430 945404692 /nfs/dbraw/zinc/40/46/92/945404692.db2.gz BCDQDCJGMXEKKP-RYUDHWBXSA-N -1 3 376.421 0.167 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820286430 945404696 /nfs/dbraw/zinc/40/46/96/945404696.db2.gz BCDQDCJGMXEKKP-RYUDHWBXSA-N -1 3 376.421 0.167 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCOC1)C2 ZINC001571260147 945408217 /nfs/dbraw/zinc/40/82/17/945408217.db2.gz WOKCVVYCGRKJDE-BNOWGMLFSA-N -1 3 385.428 0.437 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCOC1)C2 ZINC001571260147 945408225 /nfs/dbraw/zinc/40/82/25/945408225.db2.gz WOKCVVYCGRKJDE-BNOWGMLFSA-N -1 3 385.428 0.437 20 0 GCADHM CC(C)c1nnc(CN[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001571260220 945409756 /nfs/dbraw/zinc/40/97/56/945409756.db2.gz YHQFZTZIJAIWEG-XYPYZODXSA-N -1 3 385.432 0.999 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)[C@@H]1CCCC12CC2 ZINC001571260193 945410469 /nfs/dbraw/zinc/41/04/69/945410469.db2.gz XKOGHJNJYLFHGF-YUTCNCBUSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)[C@@H]1CCCC12CC2 ZINC001571260193 945410476 /nfs/dbraw/zinc/41/04/76/945410476.db2.gz XKOGHJNJYLFHGF-YUTCNCBUSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@H]1C[C@H](CO)C1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001571260262 945411404 /nfs/dbraw/zinc/41/14/04/945411404.db2.gz ZFTGOCBDAOFFHT-UXIGCNINSA-N -1 3 385.428 0.432 20 0 GCADHM O=C(N[C@H]1C[C@H](CO)C1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001571260262 945411405 /nfs/dbraw/zinc/41/14/05/945411405.db2.gz ZFTGOCBDAOFFHT-UXIGCNINSA-N -1 3 385.428 0.432 20 0 GCADHM O=C([C@@H]1CNC(=O)N1)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571260334 945412520 /nfs/dbraw/zinc/41/25/20/945412520.db2.gz PRZIHBDJTSTZJN-JSGCOSHPSA-N -1 3 385.432 0.126 20 0 GCADHM O=C([C@@H]1CNC(=O)N1)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571260334 945412523 /nfs/dbraw/zinc/41/25/23/945412523.db2.gz PRZIHBDJTSTZJN-JSGCOSHPSA-N -1 3 385.432 0.126 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)ccc1=O ZINC001571261655 945429740 /nfs/dbraw/zinc/42/97/40/945429740.db2.gz HVUGUHMHEUQCFE-LBPRGKRZSA-N -1 3 385.453 0.631 20 0 GCADHM Cc1cc(=O)c(C(=O)NCC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)c[nH]1 ZINC001571261709 945431257 /nfs/dbraw/zinc/43/12/57/945431257.db2.gz IZTDROBAXAHNKH-UHFFFAOYSA-N -1 3 385.453 0.787 20 0 GCADHM Cc1cc(=O)c(C(=O)NCC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)c[nH]1 ZINC001571261709 945431261 /nfs/dbraw/zinc/43/12/61/945431261.db2.gz IZTDROBAXAHNKH-UHFFFAOYSA-N -1 3 385.453 0.787 20 0 GCADHM CSc1ccnc(N2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571261708 945431410 /nfs/dbraw/zinc/43/14/10/945431410.db2.gz IZJNONZZEGQFPH-SNVBAGLBSA-N -1 3 385.457 0.963 20 0 GCADHM CSc1ccnc(N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571261708 945431417 /nfs/dbraw/zinc/43/14/17/945431417.db2.gz IZJNONZZEGQFPH-SNVBAGLBSA-N -1 3 385.457 0.963 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1NC(=O)c1ccns1 ZINC001571261849 945431810 /nfs/dbraw/zinc/43/18/10/945431810.db2.gz KJFXHSCSBMHGGI-ZIAGYGMSSA-N -1 3 385.453 0.952 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)sc1C ZINC001571262391 945437285 /nfs/dbraw/zinc/43/72/85/945437285.db2.gz RMAAFIPJBHFLEA-KGLIPLIRSA-N -1 3 385.453 0.920 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)sc1C ZINC001571262391 945437291 /nfs/dbraw/zinc/43/72/91/945437291.db2.gz RMAAFIPJBHFLEA-KGLIPLIRSA-N -1 3 385.453 0.920 20 0 GCADHM CCc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)s1 ZINC001571262825 945443146 /nfs/dbraw/zinc/44/31/46/945443146.db2.gz ZHSROUCRSFQDCY-ZIAGYGMSSA-N -1 3 385.453 0.865 20 0 GCADHM CCc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)s1 ZINC001571262825 945443149 /nfs/dbraw/zinc/44/31/49/945443149.db2.gz ZHSROUCRSFQDCY-ZIAGYGMSSA-N -1 3 385.453 0.865 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1[C@H](C)CC[C@H]1C ZINC000820438219 945448669 /nfs/dbraw/zinc/44/86/69/945448669.db2.gz KWLMDARDTYLJLE-UTUOFQBUSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1[C@H](C)CC[C@H]1C ZINC000820438219 945448676 /nfs/dbraw/zinc/44/86/76/945448676.db2.gz KWLMDARDTYLJLE-UTUOFQBUSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC2(CCC2)C1 ZINC000820438559 945449013 /nfs/dbraw/zinc/44/90/13/945449013.db2.gz RUPUASODBUMQIS-LBPRGKRZSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC2(CCC2)C1 ZINC000820438559 945449018 /nfs/dbraw/zinc/44/90/18/945449018.db2.gz RUPUASODBUMQIS-LBPRGKRZSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@]1(C)CCCO1 ZINC000820444092 945451159 /nfs/dbraw/zinc/45/11/59/945451159.db2.gz FWFRELJKCRPNSH-BZNIZROVSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@]1(C)CCCO1 ZINC000820444092 945451163 /nfs/dbraw/zinc/45/11/63/945451163.db2.gz FWFRELJKCRPNSH-BZNIZROVSA-N -1 3 395.441 0.646 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC2(C1)CCN(Cc1cnsn1)CC2 ZINC001571263204 945454299 /nfs/dbraw/zinc/45/42/99/945454299.db2.gz JYMGEWLQBJYVCO-UHFFFAOYSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC2(C1)CCN(Cc1cnsn1)CC2 ZINC001571263204 945454302 /nfs/dbraw/zinc/45/43/02/945454302.db2.gz JYMGEWLQBJYVCO-UHFFFAOYSA-N -1 3 385.457 0.785 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCS(=O)(=O)CC2CC2)c(-c2nnn[n-]2)c1 ZINC001571263412 945458246 /nfs/dbraw/zinc/45/82/46/945458246.db2.gz PFKJFPREUDUKOF-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCS(=O)(=O)CC2CC2)c(-c2nn[n-]n2)c1 ZINC001571263412 945458252 /nfs/dbraw/zinc/45/82/52/945458252.db2.gz PFKJFPREUDUKOF-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC2(C1)CCN(Cc1csnn1)CC2 ZINC001571263493 945459205 /nfs/dbraw/zinc/45/92/05/945459205.db2.gz RLAQYNAOYYJJTA-UHFFFAOYSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC2(C1)CCN(Cc1csnn1)CC2 ZINC001571263493 945459209 /nfs/dbraw/zinc/45/92/09/945459209.db2.gz RLAQYNAOYYJJTA-UHFFFAOYSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@]2(CCN(Cc3cnns3)C2)C1 ZINC001571263893 945470189 /nfs/dbraw/zinc/47/01/89/945470189.db2.gz ZEXPVQRMZLFEKY-MRXNPFEDSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@]2(CCN(Cc3cnns3)C2)C1 ZINC001571263893 945470195 /nfs/dbraw/zinc/47/01/95/945470195.db2.gz ZEXPVQRMZLFEKY-MRXNPFEDSA-N -1 3 385.457 0.785 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)c3sccc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820607297 945499408 /nfs/dbraw/zinc/49/94/08/945499408.db2.gz PGSUUJVLQUSZNW-VXJOIVPMSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)c3sccc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820607297 945499413 /nfs/dbraw/zinc/49/94/13/945499413.db2.gz PGSUUJVLQUSZNW-VXJOIVPMSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001571265631 945516758 /nfs/dbraw/zinc/51/67/58/945516758.db2.gz NFXPMSJNWFWBCC-CHWSQXEVSA-N -1 3 385.476 0.069 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571265695 945519341 /nfs/dbraw/zinc/51/93/41/945519341.db2.gz OXSGYNBXHMGXNH-NFAWXSAZSA-N -1 3 385.476 0.980 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)n1 ZINC001571265798 945521310 /nfs/dbraw/zinc/52/13/10/945521310.db2.gz KPAPIDBVDGXTSS-CHWSQXEVSA-N -1 3 385.472 0.918 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](NC(=O)C3C(C)(C)C3(C)C)C2)n1 ZINC001571265798 945521320 /nfs/dbraw/zinc/52/13/20/945521320.db2.gz KPAPIDBVDGXTSS-CHWSQXEVSA-N -1 3 385.472 0.918 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820704680 945532400 /nfs/dbraw/zinc/53/24/00/945532400.db2.gz PIINMEZAFVWPIH-GXSJLCMTSA-N -1 3 375.389 0.756 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820704680 945532407 /nfs/dbraw/zinc/53/24/07/945532407.db2.gz PIINMEZAFVWPIH-GXSJLCMTSA-N -1 3 375.389 0.756 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571266176 945534802 /nfs/dbraw/zinc/53/48/02/945534802.db2.gz XQSIBLPRAYHQNF-KGLIPLIRSA-N -1 3 385.476 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCS[C@@H](C)C1 ZINC000820733896 945540316 /nfs/dbraw/zinc/54/03/16/945540316.db2.gz JUMUDQCHIQYNRD-QWRGUYRKSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCS[C@@H](C)C1 ZINC000820733896 945540326 /nfs/dbraw/zinc/54/03/26/945540326.db2.gz JUMUDQCHIQYNRD-QWRGUYRKSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCS[C@H](C)C1 ZINC000820733895 945540760 /nfs/dbraw/zinc/54/07/60/945540760.db2.gz JUMUDQCHIQYNRD-MNOVXSKESA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCS[C@H](C)C1 ZINC000820733895 945540766 /nfs/dbraw/zinc/54/07/66/945540766.db2.gz JUMUDQCHIQYNRD-MNOVXSKESA-N -1 3 396.498 0.497 20 0 GCADHM COc1cc(C(=O)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)on1 ZINC001571266882 945557306 /nfs/dbraw/zinc/55/73/06/945557306.db2.gz BDKNSGZABBTCRE-MRVPVSSYSA-N -1 3 386.372 0.082 20 0 GCADHM COc1cc(C(=O)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)on1 ZINC001571266882 945557320 /nfs/dbraw/zinc/55/73/20/945557320.db2.gz BDKNSGZABBTCRE-MRVPVSSYSA-N -1 3 386.372 0.082 20 0 GCADHM COc1nc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)co1 ZINC001571266948 945557629 /nfs/dbraw/zinc/55/76/29/945557629.db2.gz CXUUNMVXWSVYFX-WCBMZHEXSA-N -1 3 386.372 0.224 20 0 GCADHM COc1nc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)co1 ZINC001571266948 945557637 /nfs/dbraw/zinc/55/76/37/945557637.db2.gz CXUUNMVXWSVYFX-WCBMZHEXSA-N -1 3 386.372 0.224 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820804031 945558517 /nfs/dbraw/zinc/55/85/17/945558517.db2.gz LMSRKISOYVKLTE-WCBMZHEXSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820804031 945558525 /nfs/dbraw/zinc/55/85/25/945558525.db2.gz LMSRKISOYVKLTE-WCBMZHEXSA-N -1 3 380.792 0.067 20 0 GCADHM COc1nc(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)co1 ZINC001571266999 945559069 /nfs/dbraw/zinc/55/90/69/945559069.db2.gz FTKJMXVQGZNVDP-VIFPVBQESA-N -1 3 386.372 0.178 20 0 GCADHM COc1nc(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)co1 ZINC001571266999 945559074 /nfs/dbraw/zinc/55/90/74/945559074.db2.gz FTKJMXVQGZNVDP-VIFPVBQESA-N -1 3 386.372 0.178 20 0 GCADHM CCOc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)on1 ZINC001571267080 945561078 /nfs/dbraw/zinc/56/10/78/945561078.db2.gz IQXDTBGPXWSXQZ-SNVBAGLBSA-N -1 3 386.372 0.226 20 0 GCADHM CCOc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)on1 ZINC001571267080 945561085 /nfs/dbraw/zinc/56/10/85/945561085.db2.gz IQXDTBGPXWSXQZ-SNVBAGLBSA-N -1 3 386.372 0.226 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571267143 945563553 /nfs/dbraw/zinc/56/35/53/945563553.db2.gz KOPVFHMBAZECSR-HUUCEWRRSA-N -1 3 386.391 0.358 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571267143 945563559 /nfs/dbraw/zinc/56/35/59/945563559.db2.gz KOPVFHMBAZECSR-HUUCEWRRSA-N -1 3 386.391 0.358 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)on1 ZINC001571267285 945566845 /nfs/dbraw/zinc/56/68/45/945566845.db2.gz PKLWNDVUIXMRJN-IUCAKERBSA-N -1 3 386.372 0.224 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)on1 ZINC001571267285 945566851 /nfs/dbraw/zinc/56/68/51/945566851.db2.gz PKLWNDVUIXMRJN-IUCAKERBSA-N -1 3 386.372 0.224 20 0 GCADHM CCOc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)co1 ZINC001571267496 945570849 /nfs/dbraw/zinc/57/08/49/945570849.db2.gz XEZJKLQQZPXZCM-AOOOYVTPSA-N -1 3 386.372 0.272 20 0 GCADHM CCOc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)co1 ZINC001571267496 945570853 /nfs/dbraw/zinc/57/08/53/945570853.db2.gz XEZJKLQQZPXZCM-AOOOYVTPSA-N -1 3 386.372 0.272 20 0 GCADHM COc1c(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)cnn1C ZINC001571267511 945571003 /nfs/dbraw/zinc/57/10/03/945571003.db2.gz XNMHPZZIKYYEDJ-UHFFFAOYSA-N -1 3 386.391 0.362 20 0 GCADHM COc1c(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)cnn1C ZINC001571267511 945571007 /nfs/dbraw/zinc/57/10/07/945571007.db2.gz XNMHPZZIKYYEDJ-UHFFFAOYSA-N -1 3 386.391 0.362 20 0 GCADHM CC[C@@H](C)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000820861781 945575024 /nfs/dbraw/zinc/57/50/24/945575024.db2.gz NTKSRWRQZMXULF-SNVBAGLBSA-N -1 3 381.414 0.303 20 0 GCADHM CC[C@@H](C)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000820861781 945575031 /nfs/dbraw/zinc/57/50/31/945575031.db2.gz NTKSRWRQZMXULF-SNVBAGLBSA-N -1 3 381.414 0.303 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)CC[C@@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001571267649 945575344 /nfs/dbraw/zinc/57/53/44/945575344.db2.gz AWIMZCSDQGSQRO-RYUDHWBXSA-N -1 3 386.416 0.091 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)CC[C@@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001571267649 945575349 /nfs/dbraw/zinc/57/53/49/945575349.db2.gz AWIMZCSDQGSQRO-RYUDHWBXSA-N -1 3 386.416 0.091 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571267710 945576647 /nfs/dbraw/zinc/57/66/47/945576647.db2.gz CKHHVHCPUJDCKN-MWLCHTKSSA-N -1 3 386.395 0.350 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571267710 945576653 /nfs/dbraw/zinc/57/66/53/945576653.db2.gz CKHHVHCPUJDCKN-MWLCHTKSSA-N -1 3 386.395 0.350 20 0 GCADHM NC(=O)c1ncc(NC(=O)N2CC(Oc3ccc(-c4nn[n-]n4)cc3)C2)s1 ZINC001571268040 945585753 /nfs/dbraw/zinc/58/57/53/945585753.db2.gz LUIFMLNUSYOBJD-UHFFFAOYSA-N -1 3 386.397 0.717 20 0 GCADHM O=C(Cn1cncn1)N1CCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571268005 945585763 /nfs/dbraw/zinc/58/57/63/945585763.db2.gz LAGMTCASMAPELK-LBPRGKRZSA-N -1 3 386.395 0.486 20 0 GCADHM O=C(Cn1cncn1)N1CCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571268005 945585771 /nfs/dbraw/zinc/58/57/71/945585771.db2.gz LAGMTCASMAPELK-LBPRGKRZSA-N -1 3 386.395 0.486 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC2(CNC(=O)N2C)CC1 ZINC001571268093 945587505 /nfs/dbraw/zinc/58/75/05/945587505.db2.gz NRNZGHAGJHWRSE-UHFFFAOYSA-N -1 3 386.416 0.897 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC2(CNC(=O)N2C)CC1 ZINC001571268093 945587515 /nfs/dbraw/zinc/58/75/15/945587515.db2.gz NRNZGHAGJHWRSE-UHFFFAOYSA-N -1 3 386.416 0.897 20 0 GCADHM C[C@@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1nnc[nH]1 ZINC001571268103 945588228 /nfs/dbraw/zinc/58/82/28/945588228.db2.gz NYBQLAYFZNHDBK-MWLCHTKSSA-N -1 3 386.395 0.553 20 0 GCADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC000820920260 945588701 /nfs/dbraw/zinc/58/87/01/945588701.db2.gz OCWSLEUDFIKXOB-SWLSCSKDSA-N -1 3 387.444 0.864 20 0 GCADHM CC[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC000820920260 945588709 /nfs/dbraw/zinc/58/87/09/945588709.db2.gz OCWSLEUDFIKXOB-SWLSCSKDSA-N -1 3 387.444 0.864 20 0 GCADHM CCc1nnc(N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)c(-c2nnn[n-]2)c1CC ZINC001571268250 945592452 /nfs/dbraw/zinc/59/24/52/945592452.db2.gz POHNCEBJKFWLJQ-QGZVFWFLSA-N -1 3 386.416 0.680 20 0 GCADHM CCc1nnc(N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)c(-c2nn[n-]n2)c1CC ZINC001571268250 945592456 /nfs/dbraw/zinc/59/24/56/945592456.db2.gz POHNCEBJKFWLJQ-QGZVFWFLSA-N -1 3 386.416 0.680 20 0 GCADHM COc1cc(CN(C)[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)on1 ZINC001571268303 945592513 /nfs/dbraw/zinc/59/25/13/945592513.db2.gz RCRDBGWJCSFQSU-GFCCVEGCSA-N -1 3 386.416 0.928 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cncc(F)c2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571268449 945595633 /nfs/dbraw/zinc/59/56/33/945595633.db2.gz SIACJOSSNDVOIO-IUODEOHRSA-N -1 3 386.391 0.094 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cncc(F)c2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571268449 945595639 /nfs/dbraw/zinc/59/56/39/945595639.db2.gz SIACJOSSNDVOIO-IUODEOHRSA-N -1 3 386.391 0.094 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001571268430 945596600 /nfs/dbraw/zinc/59/66/00/945596600.db2.gz RQVFVCBSMRIVTK-QWRGUYRKSA-N -1 3 386.395 0.514 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001571268430 945596605 /nfs/dbraw/zinc/59/66/05/945596605.db2.gz RQVFVCBSMRIVTK-QWRGUYRKSA-N -1 3 386.395 0.514 20 0 GCADHM Cc1cc(NC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)ncc1-c1nnn[n-]1 ZINC001571269112 945612602 /nfs/dbraw/zinc/61/26/02/945612602.db2.gz PDISVPLSZSBZRF-NSHDSACASA-N -1 3 386.416 0.065 20 0 GCADHM Cc1cc(NC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)ncc1-c1nn[n-]n1 ZINC001571269112 945612607 /nfs/dbraw/zinc/61/26/07/945612607.db2.gz PDISVPLSZSBZRF-NSHDSACASA-N -1 3 386.416 0.065 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001571269360 945618771 /nfs/dbraw/zinc/61/87/71/945618771.db2.gz WKMDVLAQLRNWAQ-VWYCJHECSA-N -1 3 386.416 0.227 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001571269360 945618777 /nfs/dbraw/zinc/61/87/77/945618777.db2.gz WKMDVLAQLRNWAQ-VWYCJHECSA-N -1 3 386.416 0.227 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cncs1 ZINC001571269943 945627427 /nfs/dbraw/zinc/62/74/27/945627427.db2.gz IMBYVUOYXKABSS-SKDRFNHKSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cncs1 ZINC001571269943 945627432 /nfs/dbraw/zinc/62/74/32/945627432.db2.gz IMBYVUOYXKABSS-SKDRFNHKSA-N -1 3 386.441 0.613 20 0 GCADHM CCCCOC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821071705 945627498 /nfs/dbraw/zinc/62/74/98/945627498.db2.gz JYFBFAPEAGDJRK-NSHDSACASA-N -1 3 375.385 0.872 20 0 GCADHM CCCCOC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821071705 945627503 /nfs/dbraw/zinc/62/75/03/945627503.db2.gz JYFBFAPEAGDJRK-NSHDSACASA-N -1 3 375.385 0.872 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)[nH]1 ZINC001571269887 945627975 /nfs/dbraw/zinc/62/79/75/945627975.db2.gz GTPHVSDMCWCQFZ-SECBINFHSA-N -1 3 386.441 0.360 20 0 GCADHM CCc1ncsc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571270020 945629443 /nfs/dbraw/zinc/62/94/43/945629443.db2.gz KTAUFHRZSYGGBR-VIFPVBQESA-N -1 3 386.441 0.858 20 0 GCADHM CCc1ncsc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571270020 945629447 /nfs/dbraw/zinc/62/94/47/945629447.db2.gz KTAUFHRZSYGGBR-VIFPVBQESA-N -1 3 386.441 0.858 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H](NC(=O)c2cnns2)C1 ZINC001571270035 945629639 /nfs/dbraw/zinc/62/96/39/945629639.db2.gz LBTLEIMUAJOHNK-GFCCVEGCSA-N -1 3 386.441 0.731 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)Cc1cscn1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571270295 945633422 /nfs/dbraw/zinc/63/34/22/945633422.db2.gz PIZJGSRPOGLRHR-LBPRGKRZSA-N -1 3 386.441 0.567 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)Cc1cscn1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571270295 945633424 /nfs/dbraw/zinc/63/34/24/945633424.db2.gz PIZJGSRPOGLRHR-LBPRGKRZSA-N -1 3 386.441 0.567 20 0 GCADHM Cc1nsc(N[C@H]2CN(C(=O)c3nccnc3N)C[C@H]2C)c1-c1nnn[n-]1 ZINC001571270317 945634516 /nfs/dbraw/zinc/63/45/16/945634516.db2.gz QDKMHMJIVHGVBC-APPZFPTMSA-N -1 3 386.445 0.576 20 0 GCADHM Cc1nsc(N[C@@H]2CN(C(=O)c3nccnc3N)C[C@H]2C)c1-c1nnn[n-]1 ZINC001571270320 945634904 /nfs/dbraw/zinc/63/49/04/945634904.db2.gz QDKMHMJIVHGVBC-VXNVDRBHSA-N -1 3 386.445 0.576 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)s1 ZINC001571270369 945635117 /nfs/dbraw/zinc/63/51/17/945635117.db2.gz RQMBLXLLTZNGTP-CHWSQXEVSA-N -1 3 386.441 0.315 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)s1 ZINC001571270369 945635124 /nfs/dbraw/zinc/63/51/24/945635124.db2.gz RQMBLXLLTZNGTP-CHWSQXEVSA-N -1 3 386.441 0.315 20 0 GCADHM CC1(C)CN(C(=O)c2nccs2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571270403 945637025 /nfs/dbraw/zinc/63/70/25/945637025.db2.gz SURKEGLHSWMBTC-LLVKDONJSA-N -1 3 386.441 0.932 20 0 GCADHM CC1(C)CN(C(=O)c2nccs2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571270403 945637030 /nfs/dbraw/zinc/63/70/30/945637030.db2.gz SURKEGLHSWMBTC-LLVKDONJSA-N -1 3 386.441 0.932 20 0 GCADHM CCc1ncc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)s1 ZINC001571270695 945641115 /nfs/dbraw/zinc/64/11/15/945641115.db2.gz YYGMRLLUHKOINC-UHFFFAOYSA-N -1 3 386.441 0.812 20 0 GCADHM CCc1ncc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)s1 ZINC001571270695 945641124 /nfs/dbraw/zinc/64/11/24/945641124.db2.gz YYGMRLLUHKOINC-UHFFFAOYSA-N -1 3 386.441 0.812 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)s1)c1ncccn1 ZINC001571270726 945642510 /nfs/dbraw/zinc/64/25/10/945642510.db2.gz ZTDNBWPYILADIG-NSHDSACASA-N -1 3 386.441 0.349 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccncc1Cl ZINC001571271402 945644119 /nfs/dbraw/zinc/64/41/19/945644119.db2.gz BLNUBWQTGRVGMJ-VIFPVBQESA-N -1 3 386.803 0.888 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccncc1Cl ZINC001571271402 945644127 /nfs/dbraw/zinc/64/41/27/945644127.db2.gz BLNUBWQTGRVGMJ-VIFPVBQESA-N -1 3 386.803 0.888 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccncc1Cl ZINC001571271401 945644821 /nfs/dbraw/zinc/64/48/21/945644821.db2.gz BLNUBWQTGRVGMJ-SECBINFHSA-N -1 3 386.803 0.888 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccncc1Cl ZINC001571271401 945644825 /nfs/dbraw/zinc/64/48/25/945644825.db2.gz BLNUBWQTGRVGMJ-SECBINFHSA-N -1 3 386.803 0.888 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571271648 945646991 /nfs/dbraw/zinc/64/69/91/945646991.db2.gz GLHWZSMUIAPWHC-LLVKDONJSA-N -1 3 386.803 0.888 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(Cl)cn2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571271648 945646998 /nfs/dbraw/zinc/64/69/98/945646998.db2.gz GLHWZSMUIAPWHC-LLVKDONJSA-N -1 3 386.803 0.888 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1ccncc1Cl ZINC001571271876 945651983 /nfs/dbraw/zinc/65/19/83/945651983.db2.gz LNFYGGAURBYKTC-KGLIPLIRSA-N -1 3 386.803 0.290 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1ccncc1Cl ZINC001571271876 945651984 /nfs/dbraw/zinc/65/19/84/945651984.db2.gz LNFYGGAURBYKTC-KGLIPLIRSA-N -1 3 386.803 0.290 20 0 GCADHM CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821286634 945664389 /nfs/dbraw/zinc/66/43/89/945664389.db2.gz TUYAMHGTQORIRD-CYBMUJFWSA-N -1 3 386.460 0.391 20 0 GCADHM CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821286634 945664395 /nfs/dbraw/zinc/66/43/95/945664395.db2.gz TUYAMHGTQORIRD-CYBMUJFWSA-N -1 3 386.460 0.391 20 0 GCADHM CCOC(=O)NCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821334070 945672137 /nfs/dbraw/zinc/67/21/37/945672137.db2.gz HKTIXXQGLNCYND-UHFFFAOYSA-N -1 3 389.416 0.512 20 0 GCADHM CCOC(=O)NCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821334070 945672140 /nfs/dbraw/zinc/67/21/40/945672140.db2.gz HKTIXXQGLNCYND-UHFFFAOYSA-N -1 3 389.416 0.512 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC2CC(NC(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC001571273336 945686047 /nfs/dbraw/zinc/68/60/47/945686047.db2.gz VUQNFDDUUBKEOS-PIMMBPRGSA-N -1 3 386.460 0.207 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC2CC(NC(=O)[C@@H]3CN(C)CCO3)C2)n1 ZINC001571273336 945686055 /nfs/dbraw/zinc/68/60/55/945686055.db2.gz VUQNFDDUUBKEOS-PIMMBPRGSA-N -1 3 386.460 0.207 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](CNC(=O)c3n[nH]cc3F)C2)n1 ZINC001571274270 945694215 /nfs/dbraw/zinc/69/42/15/945694215.db2.gz DDOKYZVGGMNBFK-JTQLQIEISA-N -1 3 387.379 0.068 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](CNC(=O)c3n[nH]cc3F)C2)n1 ZINC001571274270 945694221 /nfs/dbraw/zinc/69/42/21/945694221.db2.gz DDOKYZVGGMNBFK-JTQLQIEISA-N -1 3 387.379 0.068 20 0 GCADHM O=C(c1cc(C(F)F)ncn1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571274141 945694738 /nfs/dbraw/zinc/69/47/38/945694738.db2.gz CDJPNBIYBNTNNR-UHFFFAOYSA-N -1 3 387.354 0.952 20 0 GCADHM O=C(c1cc(C(F)F)ncn1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571274141 945694746 /nfs/dbraw/zinc/69/47/46/945694746.db2.gz CDJPNBIYBNTNNR-UHFFFAOYSA-N -1 3 387.354 0.952 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)CCO1)c1cnco1 ZINC001571274161 945694890 /nfs/dbraw/zinc/69/48/90/945694890.db2.gz CWMZUJLEMAYWHA-CYBMUJFWSA-N -1 3 387.375 0.625 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)CCO1)c1cnco1 ZINC001571274161 945694898 /nfs/dbraw/zinc/69/48/98/945694898.db2.gz CWMZUJLEMAYWHA-CYBMUJFWSA-N -1 3 387.375 0.625 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(CCF)c1 ZINC001571274582 945696754 /nfs/dbraw/zinc/69/67/54/945696754.db2.gz HWBKFXYDSVGKLG-LBPRGKRZSA-N -1 3 387.379 0.005 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(CCF)c1 ZINC001571274582 945696759 /nfs/dbraw/zinc/69/67/59/945696759.db2.gz HWBKFXYDSVGKLG-LBPRGKRZSA-N -1 3 387.379 0.005 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571274690 945698648 /nfs/dbraw/zinc/69/86/48/945698648.db2.gz KASKXHDIEFQMRK-JTQLQIEISA-N -1 3 386.865 0.959 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571274690 945698653 /nfs/dbraw/zinc/69/86/53/945698653.db2.gz KASKXHDIEFQMRK-JTQLQIEISA-N -1 3 386.865 0.959 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571274608 945699135 /nfs/dbraw/zinc/69/91/35/945699135.db2.gz IUGFPXRLTCWCTI-JTQLQIEISA-N -1 3 387.379 0.595 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571274608 945699140 /nfs/dbraw/zinc/69/91/40/945699140.db2.gz IUGFPXRLTCWCTI-JTQLQIEISA-N -1 3 387.379 0.595 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2n[nH]cc2F)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571275087 945703112 /nfs/dbraw/zinc/70/31/12/945703112.db2.gz ORVYNFZADCFHTD-WPRPVWTQSA-N -1 3 387.379 0.480 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571275315 945704399 /nfs/dbraw/zinc/70/43/99/945704399.db2.gz SAXQULIQCWXCID-SECBINFHSA-N -1 3 387.379 0.020 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571275315 945704404 /nfs/dbraw/zinc/70/44/04/945704404.db2.gz SAXQULIQCWXCID-SECBINFHSA-N -1 3 387.379 0.020 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)N1CCCC1 ZINC001571275660 945711840 /nfs/dbraw/zinc/71/18/40/945711840.db2.gz AFEQOVXTWUYPQI-CHWSQXEVSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571275765 945714518 /nfs/dbraw/zinc/71/45/18/945714518.db2.gz BYCGAFWTWQSGEN-NSHDSACASA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571275765 945714527 /nfs/dbraw/zinc/71/45/27/945714527.db2.gz BYCGAFWTWQSGEN-NSHDSACASA-N -1 3 386.460 0.398 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC(N(C)C(=O)[C@@]2(C)CCOC2)C1 ZINC001571275908 945718061 /nfs/dbraw/zinc/71/80/61/945718061.db2.gz FJYFJZOIRJYCGO-IBGZPJMESA-N -1 3 386.456 0.945 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC(N(C)C(=O)[C@]2(C)CCOC2)C1 ZINC001571275909 945718714 /nfs/dbraw/zinc/71/87/14/945718714.db2.gz FJYFJZOIRJYCGO-LJQANCHMSA-N -1 3 386.456 0.945 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC(N(C)C(=O)C[C@H]2CCOC2)C1 ZINC001571275905 945718776 /nfs/dbraw/zinc/71/87/76/945718776.db2.gz FGIIQCSXQHFICO-CYBMUJFWSA-N -1 3 386.456 0.945 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC(N(C)C(=O)C[C@@H]2CCOC2)C1 ZINC001571275906 945718833 /nfs/dbraw/zinc/71/88/33/945718833.db2.gz FGIIQCSXQHFICO-ZDUSSCGKSA-N -1 3 386.456 0.945 20 0 GCADHM CN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821570990 945720061 /nfs/dbraw/zinc/72/00/61/945720061.db2.gz UWRJFBBLOKCFOB-UHFFFAOYSA-N -1 3 393.473 0.161 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821575469 945720564 /nfs/dbraw/zinc/72/05/64/945720564.db2.gz CQUBXNURGUDLSJ-AWEZNQCLSA-N -1 3 378.458 0.193 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821575469 945720570 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Cc1nsc(N2CCOC[C@@H]2CNC(=O)c2cccnn2)c1-c1nnn[n-]1 ZINC001571279032 945766514 /nfs/dbraw/zinc/76/65/14/945766514.db2.gz GTAGOGAILFWNIC-JTQLQIEISA-N -1 3 387.429 0.057 20 0 GCADHM CN(C[C@H]1CCN1C(=O)C[C@H]1CCCCO1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571279046 945766624 /nfs/dbraw/zinc/76/66/24/945766624.db2.gz HGSWHSAYGFBOCR-CHWSQXEVSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C[C@H]1CCN1C(=O)C[C@H]1CCCCO1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571279046 945766628 /nfs/dbraw/zinc/76/66/28/945766628.db2.gz HGSWHSAYGFBOCR-CHWSQXEVSA-N -1 3 387.444 0.827 20 0 GCADHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001571279051 945767517 /nfs/dbraw/zinc/76/75/17/945767517.db2.gz HHPBVAQIVGTRGE-KGLIPLIRSA-N -1 3 387.444 0.520 20 0 GCADHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001571279051 945767522 /nfs/dbraw/zinc/76/75/22/945767522.db2.gz HHPBVAQIVGTRGE-KGLIPLIRSA-N -1 3 387.444 0.520 20 0 GCADHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001571279052 945767695 /nfs/dbraw/zinc/76/76/95/945767695.db2.gz HHPBVAQIVGTRGE-UONOGXRCSA-N -1 3 387.444 0.520 20 0 GCADHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001571279052 945767696 /nfs/dbraw/zinc/76/76/96/945767696.db2.gz HHPBVAQIVGTRGE-UONOGXRCSA-N -1 3 387.444 0.520 20 0 GCADHM O=C(c1cnsn1)N1CCC(O)(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001571279038 945767862 /nfs/dbraw/zinc/76/78/62/945767862.db2.gz GWBLXOPUFXJGKY-UHFFFAOYSA-N -1 3 387.429 0.192 20 0 GCADHM O=C(c1cnsn1)N1CCC(O)(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001571279038 945767865 /nfs/dbraw/zinc/76/78/65/945767865.db2.gz GWBLXOPUFXJGKY-UHFFFAOYSA-N -1 3 387.429 0.192 20 0 GCADHM C[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571279190 945770779 /nfs/dbraw/zinc/77/07/79/945770779.db2.gz KUQSFSMTRFKFQU-FZMZJTMJSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571279190 945770785 /nfs/dbraw/zinc/77/07/85/945770785.db2.gz KUQSFSMTRFKFQU-FZMZJTMJSA-N -1 3 387.444 0.683 20 0 GCADHM Cc1nnsc1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571279186 945770974 /nfs/dbraw/zinc/77/09/74/945770974.db2.gz KQRLUILJTPSVMY-XVKPBYJWSA-N -1 3 387.429 0.388 20 0 GCADHM Cc1nnsc1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571279186 945770985 /nfs/dbraw/zinc/77/09/85/945770985.db2.gz KQRLUILJTPSVMY-XVKPBYJWSA-N -1 3 387.429 0.388 20 0 GCADHM Cc1nsc(N2CCO[C@H](CNC(=O)c3cccnn3)C2)c1-c1nnn[n-]1 ZINC001571279147 945772140 /nfs/dbraw/zinc/77/21/40/945772140.db2.gz JXHXKVLZJCFCJP-SNVBAGLBSA-N -1 3 387.429 0.057 20 0 GCADHM CO[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCCC1 ZINC001571279232 945772827 /nfs/dbraw/zinc/77/28/27/945772827.db2.gz LTIGMKBVDPWHRB-DZGCQCFKSA-N -1 3 387.444 0.731 20 0 GCADHM CO[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCCC1 ZINC001571279232 945772831 /nfs/dbraw/zinc/77/28/31/945772831.db2.gz LTIGMKBVDPWHRB-DZGCQCFKSA-N -1 3 387.444 0.731 20 0 GCADHM CN(C(=O)C[C@@H]1CCCCO1)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571279273 945773012 /nfs/dbraw/zinc/77/30/12/945773012.db2.gz MUIUCJRPLGHZFA-RUXDESIVSA-N -1 3 387.444 0.873 20 0 GCADHM CN(C(=O)C[C@@H]1CCCCO1)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571279273 945773017 /nfs/dbraw/zinc/77/30/17/945773017.db2.gz MUIUCJRPLGHZFA-RUXDESIVSA-N -1 3 387.444 0.873 20 0 GCADHM CCO[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)C1CCC1 ZINC001571279261 945773203 /nfs/dbraw/zinc/77/32/03/945773203.db2.gz MKQXONFPVVMUEA-UKRRQHHQSA-N -1 3 387.444 0.588 20 0 GCADHM CCO[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)C1CCC1 ZINC001571279261 945773207 /nfs/dbraw/zinc/77/32/07/945773207.db2.gz MKQXONFPVVMUEA-UKRRQHHQSA-N -1 3 387.444 0.588 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)c1cccs1 ZINC001571279277 945773532 /nfs/dbraw/zinc/77/35/32/945773532.db2.gz MWDCVTZHFPINBJ-JOYOIKCWSA-N -1 3 387.425 0.262 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)c1cccs1 ZINC001571279277 945773540 /nfs/dbraw/zinc/77/35/40/945773540.db2.gz MWDCVTZHFPINBJ-JOYOIKCWSA-N -1 3 387.425 0.262 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001571279442 945777599 /nfs/dbraw/zinc/77/75/99/945777599.db2.gz OPROHHLICBJAIL-SCLBCKFNSA-N -1 3 387.444 0.419 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001571279442 945777603 /nfs/dbraw/zinc/77/76/03/945777603.db2.gz OPROHHLICBJAIL-SCLBCKFNSA-N -1 3 387.444 0.419 20 0 GCADHM CCOC1CC(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)C1 ZINC001571279417 945777616 /nfs/dbraw/zinc/77/76/16/945777616.db2.gz OEGJXYMBSIEBDP-UZRPSVAASA-N -1 3 387.444 0.729 20 0 GCADHM CCOC1CC(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)C1 ZINC001571279417 945777619 /nfs/dbraw/zinc/77/76/19/945777619.db2.gz OEGJXYMBSIEBDP-UZRPSVAASA-N -1 3 387.444 0.729 20 0 GCADHM Cc1nsc(N[C@H]2C[C@H](C)N(C(=O)c3cn[nH]c(=O)c3)C2)c1-c1nnn[n-]1 ZINC001571279403 945777710 /nfs/dbraw/zinc/77/77/10/945777710.db2.gz NNLJWPPCBNQPRS-XVKPBYJWSA-N -1 3 387.429 0.842 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001571279441 945777740 /nfs/dbraw/zinc/77/77/40/945777740.db2.gz OPROHHLICBJAIL-FZKQIMNGSA-N -1 3 387.444 0.419 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001571279441 945777746 /nfs/dbraw/zinc/77/77/46/945777746.db2.gz OPROHHLICBJAIL-FZKQIMNGSA-N -1 3 387.444 0.419 20 0 GCADHM CCOC1CC(C(=O)N[C@@H](C)C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571279511 945779554 /nfs/dbraw/zinc/77/95/54/945779554.db2.gz QUKDTHNJVPKSPZ-IFQILLTASA-N -1 3 387.444 0.587 20 0 GCADHM CCOC1CC(C(=O)N[C@@H](C)C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571279511 945779562 /nfs/dbraw/zinc/77/95/62/945779562.db2.gz QUKDTHNJVPKSPZ-IFQILLTASA-N -1 3 387.444 0.587 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)c1snnc1C ZINC001571279496 945779638 /nfs/dbraw/zinc/77/96/38/945779638.db2.gz QFKQRQJTKHPELJ-VXGBXAGGSA-N -1 3 387.429 0.055 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)c1snnc1C ZINC001571279496 945779642 /nfs/dbraw/zinc/77/96/42/945779642.db2.gz QFKQRQJTKHPELJ-VXGBXAGGSA-N -1 3 387.429 0.055 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)c3csc(=O)[nH]3)C2)n1 ZINC001571279469 945780346 /nfs/dbraw/zinc/78/03/46/945780346.db2.gz PRDPTTQNWKQIGG-SECBINFHSA-N -1 3 387.429 0.701 20 0 GCADHM COC(=O)C[C@@H](C)N1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000821657090 945781071 /nfs/dbraw/zinc/78/10/71/945781071.db2.gz HJIZWXYKPCLSSA-HSBSLETESA-N -1 3 384.440 0.976 20 0 GCADHM COC(=O)C[C@H](C)N1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000821657136 945782036 /nfs/dbraw/zinc/78/20/36/945782036.db2.gz IQANCVGCGBIUQD-ZDUSSCGKSA-N -1 3 388.428 0.341 20 0 GCADHM COC(=O)C[C@H](C)N1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000821657136 945782040 /nfs/dbraw/zinc/78/20/40/945782040.db2.gz IQANCVGCGBIUQD-ZDUSSCGKSA-N -1 3 388.428 0.341 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571279626 945784735 /nfs/dbraw/zinc/78/47/35/945784735.db2.gz WYJZJKLJSOMOPV-UKRRQHHQSA-N -1 3 386.460 0.304 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571279626 945784742 /nfs/dbraw/zinc/78/47/42/945784742.db2.gz WYJZJKLJSOMOPV-UKRRQHHQSA-N -1 3 386.460 0.304 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279753 945785697 /nfs/dbraw/zinc/78/56/97/945785697.db2.gz UULBNMWAVNJXOC-JMSVASOKSA-N -1 3 387.444 0.683 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279753 945785704 /nfs/dbraw/zinc/78/57/04/945785704.db2.gz UULBNMWAVNJXOC-JMSVASOKSA-N -1 3 387.444 0.683 20 0 GCADHM COc1csc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571279738 945785823 /nfs/dbraw/zinc/78/58/23/945785823.db2.gz UMEJVPYPZWFFMT-VIFPVBQESA-N -1 3 387.425 0.909 20 0 GCADHM COc1csc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571279738 945785828 /nfs/dbraw/zinc/78/58/28/945785828.db2.gz UMEJVPYPZWFFMT-VIFPVBQESA-N -1 3 387.425 0.909 20 0 GCADHM CO[C@@H]1CCC[C@@H]1C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279721 945785868 /nfs/dbraw/zinc/78/58/68/945785868.db2.gz UDPNLADNFKLQAH-SWLSCSKDSA-N -1 3 387.444 0.731 20 0 GCADHM CO[C@@H]1CCC[C@@H]1C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571279721 945785874 /nfs/dbraw/zinc/78/58/74/945785874.db2.gz UDPNLADNFKLQAH-SWLSCSKDSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1)c1csnn1 ZINC001571279817 945787735 /nfs/dbraw/zinc/78/77/35/945787735.db2.gz XBXMMOBGKVVEJQ-SNVBAGLBSA-N -1 3 387.429 0.139 20 0 GCADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1)c1csnn1 ZINC001571279817 945787745 /nfs/dbraw/zinc/78/77/45/945787745.db2.gz XBXMMOBGKVVEJQ-SNVBAGLBSA-N -1 3 387.429 0.139 20 0 GCADHM CCC(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC2(CCOCC2)C1 ZINC001571279849 945789053 /nfs/dbraw/zinc/78/90/53/945789053.db2.gz XYBNMJUHCAKNEH-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CCC(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC2(CCOCC2)C1 ZINC001571279849 945789060 /nfs/dbraw/zinc/78/90/60/945789060.db2.gz XYBNMJUHCAKNEH-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CN(C(=O)C[C@H]1CCCOC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571279824 945789093 /nfs/dbraw/zinc/78/90/93/945789093.db2.gz XDPSBYMUMDIPLJ-OCCSQVGLSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)C[C@H]1CCCOC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571279824 945789097 /nfs/dbraw/zinc/78/90/97/945789097.db2.gz XDPSBYMUMDIPLJ-OCCSQVGLSA-N -1 3 387.444 0.684 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)c3csc(=O)[nH]3)CC2)n1 ZINC001571279897 945790968 /nfs/dbraw/zinc/79/09/68/945790968.db2.gz YUMIMVOTYOSVKX-UHFFFAOYSA-N -1 3 387.429 0.844 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573447374 945799228 /nfs/dbraw/zinc/79/92/28/945799228.db2.gz XRJBNBGQWPNYQO-GDBMZVCRSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573447374 945799231 /nfs/dbraw/zinc/79/92/31/945799231.db2.gz XRJBNBGQWPNYQO-GDBMZVCRSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573447824 945804138 /nfs/dbraw/zinc/80/41/38/945804138.db2.gz DGDVHQXUIKOHHG-KCPJHIHWSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573447824 945804146 /nfs/dbraw/zinc/80/41/46/945804146.db2.gz DGDVHQXUIKOHHG-KCPJHIHWSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573447870 945805036 /nfs/dbraw/zinc/80/50/36/945805036.db2.gz FDDNTCCVWIVPGT-OAHLLOKOSA-N -1 3 389.435 0.959 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573447870 945805045 /nfs/dbraw/zinc/80/50/45/945805045.db2.gz FDDNTCCVWIVPGT-OAHLLOKOSA-N -1 3 389.435 0.959 20 0 GCADHM COC[C@]1(C)CC(=O)N(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000821684227 945809366 /nfs/dbraw/zinc/80/93/66/945809366.db2.gz VQPSYUURPCDJTB-GOSISDBHSA-N -1 3 386.460 0.226 20 0 GCADHM COC[C@]1(C)CC(=O)N(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821684227 945809387 /nfs/dbraw/zinc/80/93/87/945809387.db2.gz VQPSYUURPCDJTB-GOSISDBHSA-N -1 3 386.460 0.226 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1CC[C@](C)(O)C1 ZINC000821688235 945812924 /nfs/dbraw/zinc/81/29/24/945812924.db2.gz DATOVAPWZZGIBS-SFHVURJKSA-N -1 3 391.476 0.717 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN1CC[C@](C)(O)C1 ZINC000821688235 945812929 /nfs/dbraw/zinc/81/29/29/945812929.db2.gz DATOVAPWZZGIBS-SFHVURJKSA-N -1 3 391.476 0.717 20 0 GCADHM Cc1cncn1CC(=O)N(C)[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001571281729 945813342 /nfs/dbraw/zinc/81/33/42/945813342.db2.gz MTICZNFVIVFSEA-LBPRGKRZSA-N -1 3 387.473 0.874 20 0 GCADHM Cc1cncn1CC(=O)N(C)[C@H]1CCN(c2snc(C)c2-c2nn[n-]n2)C1 ZINC001571281729 945813363 /nfs/dbraw/zinc/81/33/63/945813363.db2.gz MTICZNFVIVFSEA-LBPRGKRZSA-N -1 3 387.473 0.874 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC001571281868 945816719 /nfs/dbraw/zinc/81/67/19/945816719.db2.gz BGVJSKUDNXYAKJ-FRRDWIJNSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)[C@H]1CCCOC1 ZINC001571281868 945816733 /nfs/dbraw/zinc/81/67/33/945816733.db2.gz BGVJSKUDNXYAKJ-FRRDWIJNSA-N -1 3 387.444 0.446 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)[C@@]3(C)CCOC3)CCO2)ccc1-c1nnn[n-]1 ZINC001571281841 945817677 /nfs/dbraw/zinc/81/76/77/945817677.db2.gz AWABPWSECRIJTD-ACJLOTCBSA-N -1 3 387.444 0.636 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)[C@@]3(C)CCOC3)CCO2)ccc1-c1nn[n-]n1 ZINC001571281841 945817698 /nfs/dbraw/zinc/81/76/98/945817698.db2.gz AWABPWSECRIJTD-ACJLOTCBSA-N -1 3 387.444 0.636 20 0 GCADHM COCCN1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1C ZINC000821691247 945820078 /nfs/dbraw/zinc/82/00/78/945820078.db2.gz NVGQOEREGKBWQJ-LBPRGKRZSA-N -1 3 377.424 0.868 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001571282144 945829369 /nfs/dbraw/zinc/82/93/69/945829369.db2.gz FAMWYMLESUDSIN-ZBFHGGJFSA-N -1 3 387.444 0.860 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001571282144 945829388 /nfs/dbraw/zinc/82/93/88/945829388.db2.gz FAMWYMLESUDSIN-ZBFHGGJFSA-N -1 3 387.444 0.860 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571282134 945832405 /nfs/dbraw/zinc/83/24/05/945832405.db2.gz DVWQLZOSZLTCLO-UPJWGTAASA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571282134 945832414 /nfs/dbraw/zinc/83/24/14/945832414.db2.gz DVWQLZOSZLTCLO-UPJWGTAASA-N -1 3 387.444 0.873 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H]1CC[S@](=O)C1 ZINC000821701648 945835362 /nfs/dbraw/zinc/83/53/62/945835362.db2.gz XIHNNDPQXZXSDH-QDXKXIGTSA-N -1 3 379.442 0.672 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H]1CC[S@](=O)C1 ZINC000821701648 945835374 /nfs/dbraw/zinc/83/53/74/945835374.db2.gz XIHNNDPQXZXSDH-QDXKXIGTSA-N -1 3 379.442 0.672 20 0 GCADHM CC(=O)N1CCc2cc(C(=O)Nc3nc4n(c3-c3nnn[n-]3)CCOC4)ccc21 ZINC001573451453 945838753 /nfs/dbraw/zinc/83/87/53/945838753.db2.gz WVRUTAPDBCLYRV-UHFFFAOYSA-N -1 3 394.395 0.755 20 0 GCADHM CC(=O)N1CCc2cc(C(=O)Nc3nc4n(c3-c3nn[n-]n3)CCOC4)ccc21 ZINC001573451453 945838767 /nfs/dbraw/zinc/83/87/67/945838767.db2.gz WVRUTAPDBCLYRV-UHFFFAOYSA-N -1 3 394.395 0.755 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573452116 945845124 /nfs/dbraw/zinc/84/51/24/945845124.db2.gz BCHFQURCDURVEE-FZKQIMNGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573452116 945845138 /nfs/dbraw/zinc/84/51/38/945845138.db2.gz BCHFQURCDURVEE-FZKQIMNGSA-N -1 3 386.460 0.825 20 0 GCADHM O=C(NC[C@H]1CCCCN1C(=O)[C@@H]1CCCCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282495 945847716 /nfs/dbraw/zinc/84/77/16/945847716.db2.gz IUICATZGNOUHJR-HIFRSBDPSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(NC[C@H]1CCCCN1C(=O)[C@@H]1CCCCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282495 945847729 /nfs/dbraw/zinc/84/77/29/945847729.db2.gz IUICATZGNOUHJR-HIFRSBDPSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)C1CCCCCC1 ZINC001571282503 945848267 /nfs/dbraw/zinc/84/82/67/945848267.db2.gz IVQLYKVGSOEYOJ-CABCVRRESA-N -1 3 387.444 0.467 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)C1CCCCCC1 ZINC001571282503 945848281 /nfs/dbraw/zinc/84/82/81/945848281.db2.gz IVQLYKVGSOEYOJ-CABCVRRESA-N -1 3 387.444 0.467 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573452389 945848725 /nfs/dbraw/zinc/84/87/25/945848725.db2.gz DQYAKTYQNOHAGI-KZULUSFZSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573452389 945848743 /nfs/dbraw/zinc/84/87/43/945848743.db2.gz DQYAKTYQNOHAGI-KZULUSFZSA-N -1 3 388.476 0.753 20 0 GCADHM O=C(CC1(O)CCC1)N1CCC(O)(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001571282557 945848691 /nfs/dbraw/zinc/84/86/91/945848691.db2.gz KGWUOOQMZDTUJR-UHFFFAOYSA-N -1 3 387.444 0.332 20 0 GCADHM O=C(CC1(O)CCC1)N1CCC(O)(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001571282557 945848706 /nfs/dbraw/zinc/84/87/06/945848706.db2.gz KGWUOOQMZDTUJR-UHFFFAOYSA-N -1 3 387.444 0.332 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001573452656 945851480 /nfs/dbraw/zinc/85/14/80/945851480.db2.gz GSDTWLGWGSUTHM-MEDUHNTESA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573452656 945851493 /nfs/dbraw/zinc/85/14/93/945851493.db2.gz GSDTWLGWGSUTHM-MEDUHNTESA-N -1 3 386.460 0.873 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001571282525 945852008 /nfs/dbraw/zinc/85/20/08/945852008.db2.gz JMJSWPFDSLUVJG-HIFRSBDPSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001571282525 945852021 /nfs/dbraw/zinc/85/20/21/945852021.db2.gz JMJSWPFDSLUVJG-HIFRSBDPSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(C[C@H]1CCCOC1)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571282664 945854849 /nfs/dbraw/zinc/85/48/49/945854849.db2.gz NBSMMOLGEJJXRQ-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@H]1CCCOC1)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571282664 945854862 /nfs/dbraw/zinc/85/48/62/945854862.db2.gz NBSMMOLGEJJXRQ-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573453634 945862362 /nfs/dbraw/zinc/86/23/62/945862362.db2.gz NNUUWCQGQKXWSI-DYZYQPBXSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573453634 945862374 /nfs/dbraw/zinc/86/23/74/945862374.db2.gz NNUUWCQGQKXWSI-DYZYQPBXSA-N -1 3 392.439 0.868 20 0 GCADHM O=C(C1CCOCC1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571282932 945868563 /nfs/dbraw/zinc/86/85/63/945868563.db2.gz VZUREGXABPHBCN-UHFFFAOYSA-N -1 3 387.444 0.454 20 0 GCADHM O=C(C1CCOCC1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571282932 945868570 /nfs/dbraw/zinc/86/85/70/945868570.db2.gz VZUREGXABPHBCN-UHFFFAOYSA-N -1 3 387.444 0.454 20 0 GCADHM O=C(CC[C@@H]1CCCCO1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571282996 945869880 /nfs/dbraw/zinc/86/98/80/945869880.db2.gz XRDYQQRSDVNOCQ-OLZOCXBDSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(CC[C@@H]1CCCCO1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571282996 945869888 /nfs/dbraw/zinc/86/98/88/945869888.db2.gz XRDYQQRSDVNOCQ-OLZOCXBDSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571282960 945870910 /nfs/dbraw/zinc/87/09/10/945870910.db2.gz WRFRKXPWPOFLIR-UGSOOPFHSA-N -1 3 387.444 0.596 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571282960 945870923 /nfs/dbraw/zinc/87/09/23/945870923.db2.gz WRFRKXPWPOFLIR-UGSOOPFHSA-N -1 3 387.444 0.596 20 0 GCADHM O=C(CC1OCCCO1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571283056 945873506 /nfs/dbraw/zinc/87/35/06/945873506.db2.gz YOSDFZHHYGLRLX-AWEZNQCLSA-N -1 3 387.444 0.890 20 0 GCADHM O=C(CC1OCCCO1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571283056 945873522 /nfs/dbraw/zinc/87/35/22/945873522.db2.gz YOSDFZHHYGLRLX-AWEZNQCLSA-N -1 3 387.444 0.890 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573454337 945876473 /nfs/dbraw/zinc/87/64/73/945876473.db2.gz XYPLASPFQMNZGR-SCLBCKFNSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573454337 945876488 /nfs/dbraw/zinc/87/64/88/945876488.db2.gz XYPLASPFQMNZGR-SCLBCKFNSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573455255 945878636 /nfs/dbraw/zinc/87/86/36/945878636.db2.gz APTDCXAHOPETIM-SFHVURJKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573455255 945878651 /nfs/dbraw/zinc/87/86/51/945878651.db2.gz APTDCXAHOPETIM-SFHVURJKSA-N -1 3 386.460 0.827 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)cnn1C ZINC001571283186 945881259 /nfs/dbraw/zinc/88/12/59/945881259.db2.gz BCPBGSLUPGBCNS-NSHDSACASA-N -1 3 387.835 0.966 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)cnn1C ZINC001571283186 945881262 /nfs/dbraw/zinc/88/12/62/945881262.db2.gz BCPBGSLUPGBCNS-NSHDSACASA-N -1 3 387.835 0.966 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001571283666 945886932 /nfs/dbraw/zinc/88/69/32/945886932.db2.gz HAKFZKAHLNJJRW-NSHDSACASA-N -1 3 387.835 1.000 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001571283666 945886941 /nfs/dbraw/zinc/88/69/41/945886941.db2.gz HAKFZKAHLNJJRW-NSHDSACASA-N -1 3 387.835 1.000 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573455870 945887906 /nfs/dbraw/zinc/88/79/06/945887906.db2.gz HSQBLHHPUZWMTH-AWEZNQCLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573455870 945887921 /nfs/dbraw/zinc/88/79/21/945887921.db2.gz HSQBLHHPUZWMTH-AWEZNQCLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573456325 945890019 /nfs/dbraw/zinc/89/00/19/945890019.db2.gz IWNFDMTYIHZMGH-UHFFFAOYSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573456325 945890029 /nfs/dbraw/zinc/89/00/29/945890029.db2.gz IWNFDMTYIHZMGH-UHFFFAOYSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573456857 945899381 /nfs/dbraw/zinc/89/93/81/945899381.db2.gz POVZDOUZFJQWMM-QWQRMKEZSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573456857 945899389 /nfs/dbraw/zinc/89/93/89/945899389.db2.gz POVZDOUZFJQWMM-QWQRMKEZSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573456907 945900633 /nfs/dbraw/zinc/90/06/33/945900633.db2.gz PWRRTWZFPCBNMY-CYBMUJFWSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573456907 945900640 /nfs/dbraw/zinc/90/06/40/945900640.db2.gz PWRRTWZFPCBNMY-CYBMUJFWSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573457025 945902434 /nfs/dbraw/zinc/90/24/34/945902434.db2.gz SHDAPUXBNIUBQV-UHFFFAOYSA-N -1 3 388.476 0.770 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573457025 945902441 /nfs/dbraw/zinc/90/24/41/945902441.db2.gz SHDAPUXBNIUBQV-UHFFFAOYSA-N -1 3 388.476 0.770 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573457029 945902957 /nfs/dbraw/zinc/90/29/57/945902957.db2.gz SHYRBJNATVOUSK-TVQRCGJNSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573457029 945902966 /nfs/dbraw/zinc/90/29/66/945902966.db2.gz SHYRBJNATVOUSK-TVQRCGJNSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573457254 945905980 /nfs/dbraw/zinc/90/59/80/945905980.db2.gz VABLKMDCGMHZSY-MRVPVSSYSA-N -1 3 380.478 0.805 20 0 GCADHM CS(=O)(=O)CCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821926485 945906506 /nfs/dbraw/zinc/90/65/06/945906506.db2.gz GRLPPFOPFMMQOL-UHFFFAOYSA-N -1 3 394.457 0.201 20 0 GCADHM CS(=O)(=O)CCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821926485 945906510 /nfs/dbraw/zinc/90/65/10/945906510.db2.gz GRLPPFOPFMMQOL-UHFFFAOYSA-N -1 3 394.457 0.201 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573457624 945907862 /nfs/dbraw/zinc/90/78/62/945907862.db2.gz XZNJIXBFRFQTOZ-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573457624 945907870 /nfs/dbraw/zinc/90/78/70/945907870.db2.gz XZNJIXBFRFQTOZ-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573459285 945912683 /nfs/dbraw/zinc/91/26/83/945912683.db2.gz DFCXCYHQCUTSAQ-VHSXEESVSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573459285 945912685 /nfs/dbraw/zinc/91/26/85/945912685.db2.gz DFCXCYHQCUTSAQ-VHSXEESVSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573459437 945912790 /nfs/dbraw/zinc/91/27/90/945912790.db2.gz FCSSAQRKWZRYTN-CYBMUJFWSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573459437 945912795 /nfs/dbraw/zinc/91/27/95/945912795.db2.gz FCSSAQRKWZRYTN-CYBMUJFWSA-N -1 3 386.460 0.604 20 0 GCADHM CCN1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CC1=O ZINC001571285327 945913493 /nfs/dbraw/zinc/91/34/93/945913493.db2.gz BERONCAWPDYVJD-SDDRHHMPSA-N -1 3 388.407 0.328 20 0 GCADHM CCN1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CC1=O ZINC001571285327 945913501 /nfs/dbraw/zinc/91/35/01/945913501.db2.gz BERONCAWPDYVJD-SDDRHHMPSA-N -1 3 388.407 0.328 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573460133 945916029 /nfs/dbraw/zinc/91/60/29/945916029.db2.gz JMFGTBAKFALCAD-ZDUSSCGKSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573460133 945916035 /nfs/dbraw/zinc/91/60/35/945916035.db2.gz JMFGTBAKFALCAD-ZDUSSCGKSA-N -1 3 386.460 0.888 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)no1 ZINC001571285413 945916081 /nfs/dbraw/zinc/91/60/81/945916081.db2.gz CXXOKOZGYSPFLS-NSHDSACASA-N -1 3 388.363 0.332 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)no1 ZINC001571285413 945916086 /nfs/dbraw/zinc/91/60/86/945916086.db2.gz CXXOKOZGYSPFLS-NSHDSACASA-N -1 3 388.363 0.332 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccc(-c2nn[n-]n2)c1 ZINC001573460773 945917556 /nfs/dbraw/zinc/91/75/56/945917556.db2.gz LZYXKTYZFPXDQN-HOTGVXAUSA-N -1 3 383.456 0.567 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571285493 945918169 /nfs/dbraw/zinc/91/81/69/945918169.db2.gz GFVICKFIHHMWHV-LSDHHAIUSA-N -1 3 388.403 0.458 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571285493 945918173 /nfs/dbraw/zinc/91/81/73/945918173.db2.gz GFVICKFIHHMWHV-LSDHHAIUSA-N -1 3 388.403 0.458 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573461437 945919386 /nfs/dbraw/zinc/91/93/86/945919386.db2.gz OAZBFSNNMNQMGV-CYBMUJFWSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573461437 945919393 /nfs/dbraw/zinc/91/93/93/945919393.db2.gz OAZBFSNNMNQMGV-CYBMUJFWSA-N -1 3 386.460 0.522 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571285521 945920212 /nfs/dbraw/zinc/92/02/12/945920212.db2.gz HJPCTXLVNKCZST-UWVGGRQHSA-N -1 3 387.849 0.728 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571285521 945920220 /nfs/dbraw/zinc/92/02/20/945920220.db2.gz HJPCTXLVNKCZST-UWVGGRQHSA-N -1 3 387.849 0.728 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573461440 945920663 /nfs/dbraw/zinc/92/06/63/945920663.db2.gz OAZBFSNNMNQMGV-ZDUSSCGKSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573461440 945920670 /nfs/dbraw/zinc/92/06/70/945920670.db2.gz OAZBFSNNMNQMGV-ZDUSSCGKSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573461468 945920971 /nfs/dbraw/zinc/92/09/71/945920971.db2.gz OPGJUJJNFZNHPV-SMDDNHRTSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573461468 945920990 /nfs/dbraw/zinc/92/09/90/945920990.db2.gz OPGJUJJNFZNHPV-SMDDNHRTSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573461466 945921069 /nfs/dbraw/zinc/92/10/69/945921069.db2.gz OPGJUJJNFZNHPV-RISCZKNCSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573461466 945921076 /nfs/dbraw/zinc/92/10/76/945921076.db2.gz OPGJUJJNFZNHPV-RISCZKNCSA-N -1 3 386.460 0.825 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571285523 945921615 /nfs/dbraw/zinc/92/16/15/945921615.db2.gz HJPCTXLVNKCZST-ZJUUUORDSA-N -1 3 387.849 0.728 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571285523 945921624 /nfs/dbraw/zinc/92/16/24/945921624.db2.gz HJPCTXLVNKCZST-ZJUUUORDSA-N -1 3 387.849 0.728 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571285613 945922485 /nfs/dbraw/zinc/92/24/85/945922485.db2.gz JXIGEXJUBDFJGS-LLVKDONJSA-N -1 3 388.363 0.650 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571285613 945922493 /nfs/dbraw/zinc/92/24/93/945922493.db2.gz JXIGEXJUBDFJGS-LLVKDONJSA-N -1 3 388.363 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573461585 945922956 /nfs/dbraw/zinc/92/29/56/945922956.db2.gz PSCNAEUWVMGCJR-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573461585 945922961 /nfs/dbraw/zinc/92/29/61/945922961.db2.gz PSCNAEUWVMGCJR-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001571285639 945923166 /nfs/dbraw/zinc/92/31/66/945923166.db2.gz KHZHWAUCSRJHAK-ZETCQYMHSA-N -1 3 388.247 0.792 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001571285639 945923173 /nfs/dbraw/zinc/92/31/73/945923173.db2.gz KHZHWAUCSRJHAK-ZETCQYMHSA-N -1 3 388.247 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573461853 945924750 /nfs/dbraw/zinc/92/47/50/945924750.db2.gz RVUIHMURPLDHPF-ZDUSSCGKSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573461853 945924755 /nfs/dbraw/zinc/92/47/55/945924755.db2.gz RVUIHMURPLDHPF-ZDUSSCGKSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573461917 945927134 /nfs/dbraw/zinc/92/71/34/945927134.db2.gz UDRRBACMENPGHR-UHFFFAOYSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573461917 945927142 /nfs/dbraw/zinc/92/71/42/945927142.db2.gz UDRRBACMENPGHR-UHFFFAOYSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573462073 945929278 /nfs/dbraw/zinc/92/92/78/945929278.db2.gz YHDAMADLZJHWOW-QMMMGPOBSA-N -1 3 380.478 0.853 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573462291 945937757 /nfs/dbraw/zinc/93/77/57/945937757.db2.gz FQPDSIWGOPCLTC-NSHDSACASA-N -1 3 392.489 0.631 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573462540 945941646 /nfs/dbraw/zinc/94/16/46/945941646.db2.gz KYOLNJWMJNAIHE-CYBMUJFWSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573462540 945941655 /nfs/dbraw/zinc/94/16/55/945941655.db2.gz KYOLNJWMJNAIHE-CYBMUJFWSA-N -1 3 386.460 0.427 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC001571286254 945943209 /nfs/dbraw/zinc/94/32/09/945943209.db2.gz CCSQODVEACMAFX-UHFFFAOYSA-N -1 3 388.413 0.468 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 ZINC001571286254 945943212 /nfs/dbraw/zinc/94/32/12/945943212.db2.gz CCSQODVEACMAFX-UHFFFAOYSA-N -1 3 388.413 0.468 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CC(Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573462660 945943788 /nfs/dbraw/zinc/94/37/88/945943788.db2.gz LUOXCESDAHFJHG-UHFFFAOYSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CC(Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573462660 945943797 /nfs/dbraw/zinc/94/37/97/945943797.db2.gz LUOXCESDAHFJHG-UHFFFAOYSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573462758 945944758 /nfs/dbraw/zinc/94/47/58/945944758.db2.gz MWEAHIVWYFNRDH-JSGCOSHPSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573462758 945944767 /nfs/dbraw/zinc/94/47/67/945944767.db2.gz MWEAHIVWYFNRDH-JSGCOSHPSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573462923 945947342 /nfs/dbraw/zinc/94/73/42/945947342.db2.gz OVIXJOHXHPQIDY-UHFFFAOYSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573462923 945947349 /nfs/dbraw/zinc/94/73/49/945947349.db2.gz OVIXJOHXHPQIDY-UHFFFAOYSA-N -1 3 375.408 0.221 20 0 GCADHM O=C(Cc1ccsc1)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001571286474 945948119 /nfs/dbraw/zinc/94/81/19/945948119.db2.gz IYDPRDOKBDGYDJ-OCCSQVGLSA-N -1 3 388.428 0.976 20 0 GCADHM O=C(Cc1ccsc1)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001571286474 945948122 /nfs/dbraw/zinc/94/81/22/945948122.db2.gz IYDPRDOKBDGYDJ-OCCSQVGLSA-N -1 3 388.428 0.976 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573463209 945951270 /nfs/dbraw/zinc/95/12/70/945951270.db2.gz TVRCGXQDKBUEBA-TZMCWYRMSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573463209 945951276 /nfs/dbraw/zinc/95/12/76/945951276.db2.gz TVRCGXQDKBUEBA-TZMCWYRMSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573463273 945951380 /nfs/dbraw/zinc/95/13/80/945951380.db2.gz TWWYSYXEIBUYTI-DGCLKSJQSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573463273 945951390 /nfs/dbraw/zinc/95/13/90/945951390.db2.gz TWWYSYXEIBUYTI-DGCLKSJQSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573463201 945951557 /nfs/dbraw/zinc/95/15/57/945951557.db2.gz SUYFQLASKOWWPU-NSHDSACASA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573463201 945951567 /nfs/dbraw/zinc/95/15/67/945951567.db2.gz SUYFQLASKOWWPU-NSHDSACASA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001573463184 945952457 /nfs/dbraw/zinc/95/24/57/945952457.db2.gz SJOIEGOIEOUVML-RISCZKNCSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001573463184 945952463 /nfs/dbraw/zinc/95/24/63/945952463.db2.gz SJOIEGOIEOUVML-RISCZKNCSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573463356 945953611 /nfs/dbraw/zinc/95/36/11/945953611.db2.gz VONCIKXXTBQKCG-LLVKDONJSA-N -1 3 391.451 0.857 20 0 GCADHM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001571286711 945954729 /nfs/dbraw/zinc/95/47/29/945954729.db2.gz PPRXLKDRKJJQAM-CQSZACIVSA-N -1 3 388.407 0.889 20 0 GCADHM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001571286711 945954733 /nfs/dbraw/zinc/95/47/33/945954733.db2.gz PPRXLKDRKJJQAM-CQSZACIVSA-N -1 3 388.407 0.889 20 0 GCADHM COC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C)c2)nc1 ZINC001571286756 945958489 /nfs/dbraw/zinc/95/84/89/945958489.db2.gz QTFOPRFMNRNTDB-UHFFFAOYSA-N -1 3 388.409 0.835 20 0 GCADHM COC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C)c2)nc1 ZINC001571286756 945958497 /nfs/dbraw/zinc/95/84/97/945958497.db2.gz QTFOPRFMNRNTDB-UHFFFAOYSA-N -1 3 388.409 0.835 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001571286737 945958666 /nfs/dbraw/zinc/95/86/66/945958666.db2.gz QCUUVLBHGMMSSV-APPZFPTMSA-N -1 3 388.413 0.390 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001571286737 945958677 /nfs/dbraw/zinc/95/86/77/945958677.db2.gz QCUUVLBHGMMSSV-APPZFPTMSA-N -1 3 388.413 0.390 20 0 GCADHM NC(=O)[C@H]1CC[C@H]1C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571286810 945960066 /nfs/dbraw/zinc/96/00/66/945960066.db2.gz SBZZTADXLGZJLN-NWDGAFQWSA-N -1 3 388.407 0.315 20 0 GCADHM NC(=O)[C@H]1CC[C@H]1C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571286810 945960072 /nfs/dbraw/zinc/96/00/72/945960072.db2.gz SBZZTADXLGZJLN-NWDGAFQWSA-N -1 3 388.407 0.315 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCNC(=O)C1 ZINC001571286861 945961014 /nfs/dbraw/zinc/96/10/14/945961014.db2.gz UCBHBYDPDPCMFL-ZYHUDNBSSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCNC(=O)C1 ZINC001571286861 945961021 /nfs/dbraw/zinc/96/10/21/945961021.db2.gz UCBHBYDPDPCMFL-ZYHUDNBSSA-N -1 3 388.407 0.012 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCN(Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573463879 945961633 /nfs/dbraw/zinc/96/16/33/945961633.db2.gz CMAIPBIVDNDRDE-UHFFFAOYSA-N -1 3 391.501 0.924 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573464242 945963001 /nfs/dbraw/zinc/96/30/01/945963001.db2.gz IGNAYSHPIKTVQN-SECBINFHSA-N -1 3 378.412 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573464242 945963006 /nfs/dbraw/zinc/96/30/06/945963006.db2.gz IGNAYSHPIKTVQN-SECBINFHSA-N -1 3 378.412 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCCN(c1ncccc1-c1nnn[n-]1)C(C)C ZINC001573465206 945971994 /nfs/dbraw/zinc/97/19/94/945971994.db2.gz UYVRSKLHDBDYPA-UHFFFAOYSA-N -1 3 388.476 0.898 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCCN(c1ncccc1-c1nn[n-]n1)C(C)C ZINC001573465206 945971999 /nfs/dbraw/zinc/97/19/99/945971999.db2.gz UYVRSKLHDBDYPA-UHFFFAOYSA-N -1 3 388.476 0.898 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573465336 945973584 /nfs/dbraw/zinc/97/35/84/945973584.db2.gz YDQRDQLAAKPRTB-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573465336 945973595 /nfs/dbraw/zinc/97/35/95/945973595.db2.gz YDQRDQLAAKPRTB-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573467396 945978503 /nfs/dbraw/zinc/97/85/03/945978503.db2.gz DCTUZHLGXHTHBF-LLVKDONJSA-N -1 3 377.424 0.815 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573467396 945978511 /nfs/dbraw/zinc/97/85/11/945978511.db2.gz DCTUZHLGXHTHBF-LLVKDONJSA-N -1 3 377.424 0.815 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573467812 945985706 /nfs/dbraw/zinc/98/57/06/945985706.db2.gz IOKRSXJCIWJLOG-NSHDSACASA-N -1 3 377.424 0.421 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573467826 945987116 /nfs/dbraw/zinc/98/71/16/945987116.db2.gz IYKJOSLGAXMOBV-LLVKDONJSA-N -1 3 390.448 0.028 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573467826 945987122 /nfs/dbraw/zinc/98/71/22/945987122.db2.gz IYKJOSLGAXMOBV-LLVKDONJSA-N -1 3 390.448 0.028 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000822207238 945993110 /nfs/dbraw/zinc/99/31/10/945993110.db2.gz PDSPWMXBVSPFRF-SNVBAGLBSA-N -1 3 390.429 0.214 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000822207238 945993119 /nfs/dbraw/zinc/99/31/19/945993119.db2.gz PDSPWMXBVSPFRF-SNVBAGLBSA-N -1 3 390.429 0.214 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573468357 945994059 /nfs/dbraw/zinc/99/40/59/945994059.db2.gz NDAXZZDDUMRWBK-BDAKNGLRSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573468357 945994064 /nfs/dbraw/zinc/99/40/64/945994064.db2.gz NDAXZZDDUMRWBK-BDAKNGLRSA-N -1 3 380.840 0.699 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@H](C)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822210867 945997032 /nfs/dbraw/zinc/99/70/32/945997032.db2.gz ULFFJWMENBUPQZ-BMIGLBTASA-N -1 3 398.379 0.373 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@H](C)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822210867 945997044 /nfs/dbraw/zinc/99/70/44/945997044.db2.gz ULFFJWMENBUPQZ-BMIGLBTASA-N -1 3 398.379 0.373 20 0 GCADHM Cc1nsc(N2CCC[C@H](NC(=O)c3nnn(C)c3C)C2)c1-c1nnn[n-]1 ZINC001571289345 946004058 /nfs/dbraw/zinc/00/40/58/946004058.db2.gz ACHJENBVDRULKU-JTQLQIEISA-N -1 3 388.461 0.467 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573469259 946005978 /nfs/dbraw/zinc/00/59/78/946005978.db2.gz UNQBPOPQOXETCE-SNVBAGLBSA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573469259 946005991 /nfs/dbraw/zinc/00/59/91/946005991.db2.gz UNQBPOPQOXETCE-SNVBAGLBSA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573469258 946006865 /nfs/dbraw/zinc/00/68/65/946006865.db2.gz UNQBPOPQOXETCE-JTQLQIEISA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573469258 946006874 /nfs/dbraw/zinc/00/68/74/946006874.db2.gz UNQBPOPQOXETCE-JTQLQIEISA-N -1 3 375.408 0.173 20 0 GCADHM C[C@@H]1COCCN1CCN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC001571289554 946008682 /nfs/dbraw/zinc/00/86/82/946008682.db2.gz HLILXABSOUPYGA-CYBMUJFWSA-N -1 3 388.476 0.575 20 0 GCADHM C[C@@H]1COCCN1CCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001571289554 946008690 /nfs/dbraw/zinc/00/86/90/946008690.db2.gz HLILXABSOUPYGA-CYBMUJFWSA-N -1 3 388.476 0.575 20 0 GCADHM Cc1nsc(N2CC[C@@H](CNC(=O)c3cnn(C)c3N)C2)c1-c1nnn[n-]1 ZINC001571289509 946010064 /nfs/dbraw/zinc/01/00/64/946010064.db2.gz GGEKFOYUOFCEBA-VIFPVBQESA-N -1 3 388.461 0.204 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573469825 946010317 /nfs/dbraw/zinc/01/03/17/946010317.db2.gz XUMWZRRDJQXMSR-GXSJLCMTSA-N -1 3 378.462 0.193 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470022 946017412 /nfs/dbraw/zinc/01/74/12/946017412.db2.gz ASMSYGGBTFMVDY-ZYHUDNBSSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470022 946017424 /nfs/dbraw/zinc/01/74/24/946017424.db2.gz ASMSYGGBTFMVDY-ZYHUDNBSSA-N -1 3 390.423 0.576 20 0 GCADHM Cc1nsc(N[C@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)c1-c1nnn[n-]1 ZINC001571289847 946020076 /nfs/dbraw/zinc/02/00/76/946020076.db2.gz NWEAEQCUXWYWJE-MNOVXSKESA-N -1 3 388.461 0.887 20 0 GCADHM Cc1nsc(N(C)C[C@H]2CCCN2C(=O)c2cn(C)nn2)c1-c1nnn[n-]1 ZINC001571289850 946021130 /nfs/dbraw/zinc/02/11/30/946021130.db2.gz NWYZUTSOFQOUPW-SNVBAGLBSA-N -1 3 388.461 0.501 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573470392 946021212 /nfs/dbraw/zinc/02/12/12/946021212.db2.gz DNINTATWFFCVRA-IUODEOHRSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573470392 946021220 /nfs/dbraw/zinc/02/12/20/946021220.db2.gz DNINTATWFFCVRA-IUODEOHRSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573470395 946021686 /nfs/dbraw/zinc/02/16/86/946021686.db2.gz DOZFKVFCLPLYRY-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573470395 946021699 /nfs/dbraw/zinc/02/16/99/946021699.db2.gz DOZFKVFCLPLYRY-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573470381 946023377 /nfs/dbraw/zinc/02/33/77/946023377.db2.gz DLSNAWDCNPCHIU-BYCMXARLSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573470381 946023388 /nfs/dbraw/zinc/02/33/88/946023388.db2.gz DLSNAWDCNPCHIU-BYCMXARLSA-N -1 3 384.444 0.356 20 0 GCADHM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC(=O)N2)c1-c1nnn[n-]1 ZINC001571289970 946023585 /nfs/dbraw/zinc/02/35/85/946023585.db2.gz RFBCLBQWZMHLSF-OUAUKWLOSA-N -1 3 388.457 0.090 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573470539 946028118 /nfs/dbraw/zinc/02/81/18/946028118.db2.gz GQHRIQADHCCJDK-ZYHUDNBSSA-N -1 3 392.489 0.441 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573470536 946029057 /nfs/dbraw/zinc/02/90/57/946029057.db2.gz GQHRIQADHCCJDK-CMPLNLGQSA-N -1 3 392.489 0.441 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)CC1(C)C ZINC001571290111 946029910 /nfs/dbraw/zinc/02/99/10/946029910.db2.gz VMHBECSMRGVELH-SECBINFHSA-N -1 3 388.461 0.703 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573470608 946030338 /nfs/dbraw/zinc/03/03/38/946030338.db2.gz HQCFNRHNHQDMAF-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470608 946030350 /nfs/dbraw/zinc/03/03/50/946030350.db2.gz HQCFNRHNHQDMAF-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573470684 946034527 /nfs/dbraw/zinc/03/45/27/946034527.db2.gz IOWNKTMWFRJMCP-OCCSQVGLSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470684 946034535 /nfs/dbraw/zinc/03/45/35/946034535.db2.gz IOWNKTMWFRJMCP-OCCSQVGLSA-N -1 3 386.460 0.379 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCCN(Cc3ccc(-c4nnn[n-]4)s3)C2)o1 ZINC001571290257 946035925 /nfs/dbraw/zinc/03/59/25/946035925.db2.gz YUGUEOUUPNFCHE-NSHDSACASA-N -1 3 388.457 0.943 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001571290349 946038132 /nfs/dbraw/zinc/03/81/32/946038132.db2.gz BFGWOGRAZBZCGN-JTQLQIEISA-N -1 3 388.823 0.395 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001571290349 946038149 /nfs/dbraw/zinc/03/81/49/946038149.db2.gz BFGWOGRAZBZCGN-JTQLQIEISA-N -1 3 388.823 0.395 20 0 GCADHM CN(C(=O)Cc1nnc[nH]1)C1CC(Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571290399 946042101 /nfs/dbraw/zinc/04/21/01/946042101.db2.gz CVUJGZNWUXACFU-UHFFFAOYSA-N -1 3 388.823 0.677 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573471087 946042459 /nfs/dbraw/zinc/04/24/59/946042459.db2.gz MAZXPBSAZXRTKF-IAQYHMDHSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573471087 946042472 /nfs/dbraw/zinc/04/24/72/946042472.db2.gz MAZXPBSAZXRTKF-IAQYHMDHSA-N -1 3 389.435 0.563 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)c1N ZINC001571290588 946046457 /nfs/dbraw/zinc/04/64/57/946046457.db2.gz JNDLQKOHUWIRJP-SECBINFHSA-N -1 3 388.823 0.240 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)c1N ZINC001571290588 946046468 /nfs/dbraw/zinc/04/64/68/946046468.db2.gz JNDLQKOHUWIRJP-SECBINFHSA-N -1 3 388.823 0.240 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471266 946047411 /nfs/dbraw/zinc/04/74/11/946047411.db2.gz NQDIGRVNFBOHEY-CMPLNLGQSA-N -1 3 375.408 0.568 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471266 946047426 /nfs/dbraw/zinc/04/74/26/946047426.db2.gz NQDIGRVNFBOHEY-CMPLNLGQSA-N -1 3 375.408 0.568 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573471376 946049177 /nfs/dbraw/zinc/04/91/77/946049177.db2.gz OIFRKFYKQMFOOQ-JOYOIKCWSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573471376 946049185 /nfs/dbraw/zinc/04/91/85/946049185.db2.gz OIFRKFYKQMFOOQ-JOYOIKCWSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573471377 946050276 /nfs/dbraw/zinc/05/02/76/946050276.db2.gz OIFRKFYKQMFOOQ-SKDRFNHKSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573471377 946050288 /nfs/dbraw/zinc/05/02/88/946050288.db2.gz OIFRKFYKQMFOOQ-SKDRFNHKSA-N -1 3 392.851 0.843 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)c1-c1nnn[n-]1 ZINC000822314883 946051778 /nfs/dbraw/zinc/05/17/78/946051778.db2.gz WFZUXJCSEYBYOX-UHFFFAOYSA-N -1 3 399.455 0.437 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)c1-c1nn[n-]n1 ZINC000822314883 946051792 /nfs/dbraw/zinc/05/17/92/946051792.db2.gz WFZUXJCSEYBYOX-UHFFFAOYSA-N -1 3 399.455 0.437 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573471605 946051820 /nfs/dbraw/zinc/05/18/20/946051820.db2.gz PTDIPPNMDNHUPH-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573471605 946051833 /nfs/dbraw/zinc/05/18/33/946051833.db2.gz PTDIPPNMDNHUPH-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573471927 946058016 /nfs/dbraw/zinc/05/80/16/946058016.db2.gz SEKLKCLPKWLAKF-JSGCOSHPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573471927 946058029 /nfs/dbraw/zinc/05/80/29/946058029.db2.gz SEKLKCLPKWLAKF-JSGCOSHPSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)n1cncn1 ZINC001571290852 946058161 /nfs/dbraw/zinc/05/81/61/946058161.db2.gz QTOMPAIJXXBZTN-ONGXEEELSA-N -1 3 388.823 0.781 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)n1cncn1 ZINC001571290852 946058171 /nfs/dbraw/zinc/05/81/71/946058171.db2.gz QTOMPAIJXXBZTN-ONGXEEELSA-N -1 3 388.823 0.781 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573472165 946061033 /nfs/dbraw/zinc/06/10/33/946061033.db2.gz UEXZXGULNWUXKU-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573472165 946061046 /nfs/dbraw/zinc/06/10/46/946061046.db2.gz UEXZXGULNWUXKU-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001573472341 946064211 /nfs/dbraw/zinc/06/42/11/946064211.db2.gz VOCKRBUNLWIIBW-TZMCWYRMSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001573472341 946064223 /nfs/dbraw/zinc/06/42/23/946064223.db2.gz VOCKRBUNLWIIBW-TZMCWYRMSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001573472338 946064841 /nfs/dbraw/zinc/06/48/41/946064841.db2.gz VOCKRBUNLWIIBW-GXTWGEPZSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001573472338 946064855 /nfs/dbraw/zinc/06/48/55/946064855.db2.gz VOCKRBUNLWIIBW-GXTWGEPZSA-N -1 3 386.460 0.969 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571291095 946068966 /nfs/dbraw/zinc/06/89/66/946068966.db2.gz AXTVDVSQIZRXRD-ZYHUDNBSSA-N -1 3 389.391 0.757 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571291095 946068977 /nfs/dbraw/zinc/06/89/77/946068977.db2.gz AXTVDVSQIZRXRD-ZYHUDNBSSA-N -1 3 389.391 0.757 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573472984 946073579 /nfs/dbraw/zinc/07/35/79/946073579.db2.gz YRSBAFXRSNTFRF-NEPJUHHUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573472984 946073590 /nfs/dbraw/zinc/07/35/90/946073590.db2.gz YRSBAFXRSNTFRF-NEPJUHHUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573472969 946074861 /nfs/dbraw/zinc/07/48/61/946074861.db2.gz YNFKDNJNLDACGF-JSGCOSHPSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573472969 946074865 /nfs/dbraw/zinc/07/48/65/946074865.db2.gz YNFKDNJNLDACGF-JSGCOSHPSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573473199 946075496 /nfs/dbraw/zinc/07/54/96/946075496.db2.gz AQCMSWQHEFVUPH-UWVGGRQHSA-N -1 3 377.474 0.389 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573473155 946076473 /nfs/dbraw/zinc/07/64/73/946076473.db2.gz ZSPULDNOOBNWAO-JQWIXIFHSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573473155 946076485 /nfs/dbraw/zinc/07/64/85/946076485.db2.gz ZSPULDNOOBNWAO-JQWIXIFHSA-N -1 3 375.408 0.933 20 0 GCADHM COc1ncc(NC(=O)c2cc(C)ccc2S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC001571291597 946077130 /nfs/dbraw/zinc/07/71/30/946077130.db2.gz MJTKLOPVDNEOPC-UHFFFAOYSA-N -1 3 389.397 0.478 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573473490 946078676 /nfs/dbraw/zinc/07/86/76/946078676.db2.gz DMRFFLXAQXVOKO-JQWIXIFHSA-N -1 3 392.489 0.949 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573473459 946080391 /nfs/dbraw/zinc/08/03/91/946080391.db2.gz CKJDNBTXFGLNIM-SWLSCSKDSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573473459 946080402 /nfs/dbraw/zinc/08/04/02/946080402.db2.gz CKJDNBTXFGLNIM-SWLSCSKDSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573473468 946081087 /nfs/dbraw/zinc/08/10/87/946081087.db2.gz CSQQBFPHXWPMET-LBPRGKRZSA-N -1 3 389.435 0.565 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571291649 946081132 /nfs/dbraw/zinc/08/11/32/946081132.db2.gz NVKVFDYAISSNRH-HUUCEWRRSA-N -1 3 389.366 0.448 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571291649 946081144 /nfs/dbraw/zinc/08/11/44/946081144.db2.gz NVKVFDYAISSNRH-HUUCEWRRSA-N -1 3 389.366 0.448 20 0 GCADHM Cn1nc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cc1C(F)F ZINC001571291966 946083387 /nfs/dbraw/zinc/08/33/87/946083387.db2.gz RLWHOIRJYRSUFF-JTQLQIEISA-N -1 3 389.370 0.942 20 0 GCADHM Cn1nc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cc1C(F)F ZINC001571291966 946083396 /nfs/dbraw/zinc/08/33/96/946083396.db2.gz RLWHOIRJYRSUFF-JTQLQIEISA-N -1 3 389.370 0.942 20 0 GCADHM O=C(NC1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1)[C@H]1COC(=O)N1 ZINC001571291818 946083443 /nfs/dbraw/zinc/08/34/43/946083443.db2.gz QGWNYUSPSZMNJK-SRHKJQAYSA-N -1 3 389.391 0.954 20 0 GCADHM O=C(NC1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1)[C@H]1COC(=O)N1 ZINC001571291818 946083452 /nfs/dbraw/zinc/08/34/52/946083452.db2.gz QGWNYUSPSZMNJK-SRHKJQAYSA-N -1 3 389.391 0.954 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2C1 ZINC001573474609 946090837 /nfs/dbraw/zinc/09/08/37/946090837.db2.gz LQCFJUGOEANFGU-JLLWLGSASA-N -1 3 390.473 0.051 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2C1 ZINC001573474610 946092228 /nfs/dbraw/zinc/09/22/28/946092228.db2.gz LQCFJUGOEANFGU-ZMLRMANQSA-N -1 3 390.473 0.051 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001571292294 946092426 /nfs/dbraw/zinc/09/24/26/946092426.db2.gz XKIJZGPODBAYLW-AWEZNQCLSA-N -1 3 389.391 0.149 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001571292294 946092441 /nfs/dbraw/zinc/09/24/41/946092441.db2.gz XKIJZGPODBAYLW-AWEZNQCLSA-N -1 3 389.391 0.149 20 0 GCADHM COCCc1noc(CN(C)C(=O)Nc2cnc(OC)c(-c3nnn[n-]3)c2)n1 ZINC001571292409 946094972 /nfs/dbraw/zinc/09/49/72/946094972.db2.gz YZYDTDXWJDQDQJ-UHFFFAOYSA-N -1 3 389.376 0.506 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573474788 946096219 /nfs/dbraw/zinc/09/62/19/946096219.db2.gz NKRIPAPEIMJILA-JMSVASOKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573474788 946096233 /nfs/dbraw/zinc/09/62/33/946096233.db2.gz NKRIPAPEIMJILA-JMSVASOKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573474661 946096261 /nfs/dbraw/zinc/09/62/61/946096261.db2.gz MRNTXZZSPNKQAX-LLVKDONJSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573474661 946096272 /nfs/dbraw/zinc/09/62/72/946096272.db2.gz MRNTXZZSPNKQAX-LLVKDONJSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573474917 946096757 /nfs/dbraw/zinc/09/67/57/946096757.db2.gz ORUKZXODFOTABJ-GHMZBOCLSA-N -1 3 389.435 0.467 20 0 GCADHM CS(=O)(=O)C1(CNS(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001571293191 946097623 /nfs/dbraw/zinc/09/76/23/946097623.db2.gz AYOSLBOOOGYZQE-UHFFFAOYSA-N -1 3 389.434 0.002 20 0 GCADHM CS(=O)(=O)C1(CNS(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001571293191 946097639 /nfs/dbraw/zinc/09/76/39/946097639.db2.gz AYOSLBOOOGYZQE-UHFFFAOYSA-N -1 3 389.434 0.002 20 0 GCADHM Cc1nccn1-c1ncccc1CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000822477376 946100542 /nfs/dbraw/zinc/10/05/42/946100542.db2.gz LFAKVVNXMMANIR-UHFFFAOYSA-N -1 3 379.388 0.811 20 0 GCADHM Cc1nccn1-c1ncccc1CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000822477376 946100547 /nfs/dbraw/zinc/10/05/47/946100547.db2.gz LFAKVVNXMMANIR-UHFFFAOYSA-N -1 3 379.388 0.811 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571293335 946101127 /nfs/dbraw/zinc/10/11/27/946101127.db2.gz FZWMLDJBEOTFOT-MRXNPFEDSA-N -1 3 389.435 0.027 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571293335 946101135 /nfs/dbraw/zinc/10/11/35/946101135.db2.gz FZWMLDJBEOTFOT-MRXNPFEDSA-N -1 3 389.435 0.027 20 0 GCADHM CC1(C)CO[C@@H](CN2CCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571293298 946101409 /nfs/dbraw/zinc/10/14/09/946101409.db2.gz DNTJOQPGLWJZBD-ZIAGYGMSSA-N -1 3 389.460 0.441 20 0 GCADHM CC1(C)CO[C@@H](CN2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571293298 946101413 /nfs/dbraw/zinc/10/14/13/946101413.db2.gz DNTJOQPGLWJZBD-ZIAGYGMSSA-N -1 3 389.460 0.441 20 0 GCADHM Cc1nsc(N[C@H]2CCCN(C(=O)CCn3cnnn3)C2)c1-c1nnn[n-]1 ZINC001571293351 946103744 /nfs/dbraw/zinc/10/37/44/946103744.db2.gz GCUIWQSBDGOMTM-JTQLQIEISA-N -1 3 389.449 0.111 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC001571293552 946107058 /nfs/dbraw/zinc/10/70/58/946107058.db2.gz LAFBBZYQFVLBGP-SMDDNHRTSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC001571293552 946107072 /nfs/dbraw/zinc/10/70/72/946107072.db2.gz LAFBBZYQFVLBGP-SMDDNHRTSA-N -1 3 389.460 0.977 20 0 GCADHM Cc1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822510952 946107415 /nfs/dbraw/zinc/10/74/15/946107415.db2.gz YOLLENWAINOVSH-SSDOTTSWSA-N -1 3 394.442 0.332 20 0 GCADHM Cc1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822510952 946107422 /nfs/dbraw/zinc/10/74/22/946107422.db2.gz YOLLENWAINOVSH-SSDOTTSWSA-N -1 3 394.442 0.332 20 0 GCADHM CO[C@@H](C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001571293555 946108051 /nfs/dbraw/zinc/10/80/51/946108051.db2.gz LAVYBVIVUCMFKH-SWLSCSKDSA-N -1 3 389.460 0.929 20 0 GCADHM CO[C@@H](C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001571293555 946108068 /nfs/dbraw/zinc/10/80/68/946108068.db2.gz LAVYBVIVUCMFKH-SWLSCSKDSA-N -1 3 389.460 0.929 20 0 GCADHM Cc1nsc(NC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCCO2)n1 ZINC001571293590 946110423 /nfs/dbraw/zinc/11/04/23/946110423.db2.gz LZSDMJOTPFJFKT-SNVBAGLBSA-N -1 3 389.445 0.698 20 0 GCADHM Cc1nsc(NC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCCO2)n1 ZINC001571293590 946110426 /nfs/dbraw/zinc/11/04/26/946110426.db2.gz LZSDMJOTPFJFKT-SNVBAGLBSA-N -1 3 389.445 0.698 20 0 GCADHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001571293601 946110578 /nfs/dbraw/zinc/11/05/78/946110578.db2.gz MHHWMQPXSLFBRH-MGCOHNPYSA-N -1 3 389.434 0.168 20 0 GCADHM CN(C[C@H]1CCN(C(=O)CC2(O)CCC2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571293749 946115446 /nfs/dbraw/zinc/11/54/46/946115446.db2.gz QLRJWMBDVVDTBH-GFCCVEGCSA-N -1 3 389.435 0.991 20 0 GCADHM CN(C[C@H]1CCN(C(=O)CC2(O)CCC2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571293749 946115454 /nfs/dbraw/zinc/11/54/54/946115454.db2.gz QLRJWMBDVVDTBH-GFCCVEGCSA-N -1 3 389.435 0.991 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573476467 946117627 /nfs/dbraw/zinc/11/76/27/946117627.db2.gz HDVPLGAMFIUPTR-GXFFZTMASA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CC1(C)C ZINC001573476471 946118259 /nfs/dbraw/zinc/11/82/59/946118259.db2.gz HFFQDDXFMFPRLB-BXUZGUMPSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CC1(C)C ZINC001573476471 946118266 /nfs/dbraw/zinc/11/82/66/946118266.db2.gz HFFQDDXFMFPRLB-BXUZGUMPSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573476469 946119020 /nfs/dbraw/zinc/11/90/20/946119020.db2.gz HDVPLGAMFIUPTR-ZWNOBZJWSA-N -1 3 375.408 0.221 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571293917 946120965 /nfs/dbraw/zinc/12/09/65/946120965.db2.gz VWEUUJSFQUHKHG-LALPHHSUSA-N -1 3 389.435 0.786 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571293917 946120972 /nfs/dbraw/zinc/12/09/72/946120972.db2.gz VWEUUJSFQUHKHG-LALPHHSUSA-N -1 3 389.435 0.786 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573476699 946122852 /nfs/dbraw/zinc/12/28/52/946122852.db2.gz IWZIIEHLZJNWIF-GWCFXTLKSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573476699 946122856 /nfs/dbraw/zinc/12/28/56/946122856.db2.gz IWZIIEHLZJNWIF-GWCFXTLKSA-N -1 3 390.423 0.401 20 0 GCADHM O=C(NC[C@H]1COCCN1CC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571294040 946123458 /nfs/dbraw/zinc/12/34/58/946123458.db2.gz YTMXVRSFVWQDFM-UONOGXRCSA-N -1 3 389.460 0.585 20 0 GCADHM O=C(NC[C@H]1COCCN1CC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571294040 946123465 /nfs/dbraw/zinc/12/34/65/946123465.db2.gz YTMXVRSFVWQDFM-UONOGXRCSA-N -1 3 389.460 0.585 20 0 GCADHM Cc1sc(NC(=O)CN2CCC[C@@H](OCCO)C2)c(-c2nnn[n-]2)c1C ZINC000822556550 946124024 /nfs/dbraw/zinc/12/40/24/946124024.db2.gz CQJHOVRNPABSFQ-GFCCVEGCSA-N -1 3 380.474 0.957 20 0 GCADHM Cc1sc(NC(=O)CN2CCC[C@@H](OCCO)C2)c(-c2nn[n-]n2)c1C ZINC000822556550 946124030 /nfs/dbraw/zinc/12/40/30/946124030.db2.gz CQJHOVRNPABSFQ-GFCCVEGCSA-N -1 3 380.474 0.957 20 0 GCADHM Cc1nsc(N(C)[C@@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)c1-c1nnn[n-]1 ZINC001571294070 946125097 /nfs/dbraw/zinc/12/50/97/946125097.db2.gz ZNIDHYBSFMBYBR-SECBINFHSA-N -1 3 389.445 0.422 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573476886 946126159 /nfs/dbraw/zinc/12/61/59/946126159.db2.gz KOHGOYNVKXUMLM-YMTOWFKASA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573476886 946126165 /nfs/dbraw/zinc/12/61/65/946126165.db2.gz KOHGOYNVKXUMLM-YMTOWFKASA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573477067 946127975 /nfs/dbraw/zinc/12/79/75/946127975.db2.gz LYNQDGUXXHZYOE-JOYOIKCWSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573477067 946127983 /nfs/dbraw/zinc/12/79/83/946127983.db2.gz LYNQDGUXXHZYOE-JOYOIKCWSA-N -1 3 376.396 0.010 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571294249 946129252 /nfs/dbraw/zinc/12/92/52/946129252.db2.gz CIXQCPDTOAVFEP-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571294249 946129260 /nfs/dbraw/zinc/12/92/60/946129260.db2.gz CIXQCPDTOAVFEP-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573477131 946130439 /nfs/dbraw/zinc/13/04/39/946130439.db2.gz NGZWMABPORUASK-BXUZGUMPSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573477131 946130446 /nfs/dbraw/zinc/13/04/46/946130446.db2.gz NGZWMABPORUASK-BXUZGUMPSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573477303 946131396 /nfs/dbraw/zinc/13/13/96/946131396.db2.gz OGPQOBURYAYFLX-GFCCVEGCSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573477303 946131406 /nfs/dbraw/zinc/13/14/06/946131406.db2.gz OGPQOBURYAYFLX-GFCCVEGCSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573477319 946132549 /nfs/dbraw/zinc/13/25/49/946132549.db2.gz OOURTFQEJIZVBX-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573477319 946132553 /nfs/dbraw/zinc/13/25/53/946132553.db2.gz OOURTFQEJIZVBX-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573477304 946132730 /nfs/dbraw/zinc/13/27/30/946132730.db2.gz OGPQOBURYAYFLX-LBPRGKRZSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573477304 946132736 /nfs/dbraw/zinc/13/27/36/946132736.db2.gz OGPQOBURYAYFLX-LBPRGKRZSA-N -1 3 386.460 0.570 20 0 GCADHM O=C(Nn1ccnn1)C1CN(c2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC001571294387 946133484 /nfs/dbraw/zinc/13/34/84/946133484.db2.gz DKAFVQIYCVDJMV-UHFFFAOYSA-N -1 3 390.205 0.427 20 0 GCADHM O=C(Nn1ccnn1)C1CN(c2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC001571294387 946133491 /nfs/dbraw/zinc/13/34/91/946133491.db2.gz DKAFVQIYCVDJMV-UHFFFAOYSA-N -1 3 390.205 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573477379 946133509 /nfs/dbraw/zinc/13/35/09/946133509.db2.gz PMJCCIQNCSRVBQ-BDAKNGLRSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573477379 946133514 /nfs/dbraw/zinc/13/35/14/946133514.db2.gz PMJCCIQNCSRVBQ-BDAKNGLRSA-N -1 3 380.840 0.746 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1Cl ZINC001571294398 946133783 /nfs/dbraw/zinc/13/37/83/946133783.db2.gz DREWNATXGOTMEY-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1Cl ZINC001571294398 946133787 /nfs/dbraw/zinc/13/37/87/946133787.db2.gz DREWNATXGOTMEY-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1c(=O)c2cc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)cnc2n(C)c1=O ZINC000822596784 946134314 /nfs/dbraw/zinc/13/43/14/946134314.db2.gz SGEHSSOAUZIXKL-UHFFFAOYSA-N -1 3 396.342 0.204 20 0 GCADHM Cn1c(=O)c2cc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cnc2n(C)c1=O ZINC000822596784 946134322 /nfs/dbraw/zinc/13/43/22/946134322.db2.gz SGEHSSOAUZIXKL-UHFFFAOYSA-N -1 3 396.342 0.204 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CC1(C)C ZINC001573477458 946137506 /nfs/dbraw/zinc/13/75/06/946137506.db2.gz QYCCWWGOVYAGBK-YGRLFVJLSA-N -1 3 391.501 0.779 20 0 GCADHM Cn1cc(Cl)c(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571294602 946137902 /nfs/dbraw/zinc/13/79/02/946137902.db2.gz JZUIEKSHGABKMI-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM Cn1cc(Cl)c(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571294602 946137911 /nfs/dbraw/zinc/13/79/11/946137911.db2.gz JZUIEKSHGABKMI-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM CS[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@]2(C)C1 ZINC001571294550 946138058 /nfs/dbraw/zinc/13/80/58/946138058.db2.gz ITLIHSJYAHWLAA-QAGHZCBJSA-N -1 3 389.485 0.867 20 0 GCADHM CS[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@]2(C)C1 ZINC001571294550 946138065 /nfs/dbraw/zinc/13/80/65/946138065.db2.gz ITLIHSJYAHWLAA-QAGHZCBJSA-N -1 3 389.485 0.867 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573477573 946139195 /nfs/dbraw/zinc/13/91/95/946139195.db2.gz RVWVGEIEBRTZQC-PWSUYJOCSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573477573 946139198 /nfs/dbraw/zinc/13/91/98/946139198.db2.gz RVWVGEIEBRTZQC-PWSUYJOCSA-N -1 3 375.408 0.615 20 0 GCADHM O=C(N[C@H]1CCN(c2ncncc2Cl)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571294647 946140970 /nfs/dbraw/zinc/14/09/70/946140970.db2.gz KQYNSKNUSZDQNH-JQWIXIFHSA-N -1 3 389.807 0.008 20 0 GCADHM O=C(N[C@H]1CCN(c2ncncc2Cl)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571294647 946140977 /nfs/dbraw/zinc/14/09/77/946140977.db2.gz KQYNSKNUSZDQNH-JQWIXIFHSA-N -1 3 389.807 0.008 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573477609 946141087 /nfs/dbraw/zinc/14/10/87/946141087.db2.gz SQWGYAZFBFPGOF-NHYWBVRUSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573477608 946141278 /nfs/dbraw/zinc/14/12/78/946141278.db2.gz SQWGYAZFBFPGOF-IAQYHMDHSA-N -1 3 389.435 0.611 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000822631774 946142621 /nfs/dbraw/zinc/14/26/21/946142621.db2.gz HSJQHTORUVZGFU-UHFFFAOYSA-N -1 3 378.458 0.779 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000822631774 946142628 /nfs/dbraw/zinc/14/26/28/946142628.db2.gz HSJQHTORUVZGFU-UHFFFAOYSA-N -1 3 378.458 0.779 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)CC1(C)C ZINC001573478247 946145807 /nfs/dbraw/zinc/14/58/07/946145807.db2.gz WEHHVWMBFLBEBX-GXSJLCMTSA-N -1 3 392.489 0.487 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001573478478 946147497 /nfs/dbraw/zinc/14/74/97/946147497.db2.gz WZUOZTKEMDWWDA-HLVVYCRESA-N -1 3 384.444 0.402 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001573478478 946147504 /nfs/dbraw/zinc/14/75/04/946147504.db2.gz WZUOZTKEMDWWDA-HLVVYCRESA-N -1 3 384.444 0.402 20 0 GCADHM O=C(N[C@@H]1CCN(c2cncc(Cl)n2)C[C@@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571294964 946150211 /nfs/dbraw/zinc/15/02/11/946150211.db2.gz RCAYOCMTUMUCSN-KOLCDFICSA-N -1 3 389.807 0.008 20 0 GCADHM O=C(N[C@@H]1CCN(c2cncc(Cl)n2)C[C@@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571294964 946150222 /nfs/dbraw/zinc/15/02/22/946150222.db2.gz RCAYOCMTUMUCSN-KOLCDFICSA-N -1 3 389.807 0.008 20 0 GCADHM CS(=O)(=O)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C(F)(F)F ZINC001571295056 946151911 /nfs/dbraw/zinc/15/19/11/946151911.db2.gz SDMMVZMTNPKFPI-PSASIEDQSA-N -1 3 390.347 0.309 20 0 GCADHM CS(=O)(=O)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C(F)(F)F ZINC001571295056 946151920 /nfs/dbraw/zinc/15/19/20/946151920.db2.gz SDMMVZMTNPKFPI-PSASIEDQSA-N -1 3 390.347 0.309 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(CCCOc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822673833 946152152 /nfs/dbraw/zinc/15/21/52/946152152.db2.gz CTKXGLIKOKRLHM-HNNXBMFYSA-N -1 3 395.423 0.987 20 0 GCADHM Cn1cc(N2CCN(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000822685061 946154830 /nfs/dbraw/zinc/15/48/30/946154830.db2.gz QYSILAKHEFVVGU-UHFFFAOYSA-N -1 3 381.444 0.039 20 0 GCADHM Cn1cc(N2CCN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000822685061 946154840 /nfs/dbraw/zinc/15/48/40/946154840.db2.gz QYSILAKHEFVVGU-UHFFFAOYSA-N -1 3 381.444 0.039 20 0 GCADHM Cn1ccnc(N2CCN(CCOc3cccc(-c4nn[n-]n4)c3)CC2)c1=O ZINC000822693428 946157639 /nfs/dbraw/zinc/15/76/39/946157639.db2.gz DFBKUBAMCUJUKX-UHFFFAOYSA-N -1 3 382.428 0.161 20 0 GCADHM Cn1cc(Cl)c(CN[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571295324 946158765 /nfs/dbraw/zinc/15/87/65/946158765.db2.gz XYCDGQQBGFKKTG-NSHDSACASA-N -1 3 389.851 0.976 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@H](CNc2cc(Cl)c(=O)[nH]n2)C1 ZINC001571295389 946162430 /nfs/dbraw/zinc/16/24/30/946162430.db2.gz ZMSHTAKSCGLJFM-MRVPVSSYSA-N -1 3 389.807 0.918 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CCC1 ZINC001573479641 946166289 /nfs/dbraw/zinc/16/62/89/946166289.db2.gz GOTIRVSXDAUKTA-VIFPVBQESA-N -1 3 378.462 0.607 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573479813 946168275 /nfs/dbraw/zinc/16/82/75/946168275.db2.gz HRBMRRDZNKAHFL-YGRLFVJLSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573479813 946168285 /nfs/dbraw/zinc/16/82/85/946168285.db2.gz HRBMRRDZNKAHFL-YGRLFVJLSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573479991 946170090 /nfs/dbraw/zinc/17/00/90/946170090.db2.gz JCJLFFHBQKALHY-JSGCOSHPSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573479991 946170096 /nfs/dbraw/zinc/17/00/96/946170096.db2.gz JCJLFFHBQKALHY-JSGCOSHPSA-N -1 3 386.460 0.427 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001571295761 946174108 /nfs/dbraw/zinc/17/41/08/946174108.db2.gz FFEFHMSFGUIJQP-UHFFFAOYSA-N -1 3 390.400 0.626 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)NCCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001571295761 946174115 /nfs/dbraw/zinc/17/41/15/946174115.db2.gz FFEFHMSFGUIJQP-UHFFFAOYSA-N -1 3 390.400 0.626 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573480569 946175694 /nfs/dbraw/zinc/17/56/94/946175694.db2.gz KXZBDIZYDFRUSO-DUACVJHASA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573480569 946175698 /nfs/dbraw/zinc/17/56/98/946175698.db2.gz KXZBDIZYDFRUSO-DUACVJHASA-N -1 3 376.396 0.232 20 0 GCADHM Cc1nsc(NC[C@H]2CN(C(=O)c3cocn3)CCCO2)c1-c1nnn[n-]1 ZINC001571295850 946177795 /nfs/dbraw/zinc/17/77/95/946177795.db2.gz HNKGBGXSKSBONX-JTQLQIEISA-N -1 3 390.429 0.963 20 0 GCADHM COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)c1cnccc1-c1nnn[n-]1 ZINC001571296049 946183008 /nfs/dbraw/zinc/18/30/08/946183008.db2.gz MMLZJRYIERKNJX-UHFFFAOYSA-N -1 3 390.400 0.609 20 0 GCADHM COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)c1cnccc1-c1nn[n-]n1 ZINC001571296049 946183019 /nfs/dbraw/zinc/18/30/19/946183019.db2.gz MMLZJRYIERKNJX-UHFFFAOYSA-N -1 3 390.400 0.609 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC001571296130 946184102 /nfs/dbraw/zinc/18/41/02/946184102.db2.gz OVDUINKMAWMDMF-APHBMKBZSA-N -1 3 390.419 0.358 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC001571296130 946184110 /nfs/dbraw/zinc/18/41/10/946184110.db2.gz OVDUINKMAWMDMF-APHBMKBZSA-N -1 3 390.419 0.358 20 0 GCADHM CNC(=O)c1ccc(CNS(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001571296058 946184403 /nfs/dbraw/zinc/18/44/03/946184403.db2.gz MQBGTQKSJLHPOY-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM CNC(=O)c1ccc(CNS(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001571296058 946184412 /nfs/dbraw/zinc/18/44/12/946184412.db2.gz MQBGTQKSJLHPOY-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM O=C(C[C@H]1CCOC1)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O ZINC001571296103 946184710 /nfs/dbraw/zinc/18/47/10/946184710.db2.gz NWYGDXUMHXJBCT-HFBAOOFYSA-N -1 3 390.419 0.094 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC001571296131 946184866 /nfs/dbraw/zinc/18/48/66/946184866.db2.gz OVDUINKMAWMDMF-DAXOMENPSA-N -1 3 390.419 0.358 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC001571296131 946184873 /nfs/dbraw/zinc/18/48/73/946184873.db2.gz OVDUINKMAWMDMF-DAXOMENPSA-N -1 3 390.419 0.358 20 0 GCADHM Cc1oc(C(N)=O)cc1S(=O)(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001571296099 946185238 /nfs/dbraw/zinc/18/52/38/946185238.db2.gz NOSDYZMMBKESIF-UHFFFAOYSA-N -1 3 390.425 0.730 20 0 GCADHM Cc1oc(C(N)=O)cc1S(=O)(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001571296099 946185243 /nfs/dbraw/zinc/18/52/43/946185243.db2.gz NOSDYZMMBKESIF-UHFFFAOYSA-N -1 3 390.425 0.730 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2COCCN2c2snc(C)c2-c2nnn[n-]2)on1 ZINC001571296214 946186506 /nfs/dbraw/zinc/18/65/06/946186506.db2.gz QVGWWIHOMXXGJS-SNVBAGLBSA-N -1 3 390.429 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573481859 946187195 /nfs/dbraw/zinc/18/71/95/946187195.db2.gz SDSCADLXJMZGKU-MWLCHTKSSA-N -1 3 378.462 0.099 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573481858 946187915 /nfs/dbraw/zinc/18/79/15/946187915.db2.gz SDSCADLXJMZGKU-KOLCDFICSA-N -1 3 378.462 0.099 20 0 GCADHM COC1CC(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C[C@H]2O)C1 ZINC001571296242 946189130 /nfs/dbraw/zinc/18/91/30/946189130.db2.gz RQYAKIUPIPGHCK-LWXRVASPSA-N -1 3 390.419 0.092 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@@H]1COCCO1 ZINC001571296264 946190122 /nfs/dbraw/zinc/19/01/22/946190122.db2.gz SCPLMCUSISKLJC-ZBFHGGJFSA-N -1 3 390.419 0.502 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573482063 946192089 /nfs/dbraw/zinc/19/20/89/946192089.db2.gz UIXJUOILNKSJNR-MRVPVSSYSA-N -1 3 378.824 0.500 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573482063 946192100 /nfs/dbraw/zinc/19/21/00/946192100.db2.gz UIXJUOILNKSJNR-MRVPVSSYSA-N -1 3 378.824 0.500 20 0 GCADHM COC[C@]1(C(=O)OC(C)(C)C)CN(Cc2cc(-c3nnn[n-]3)ccn2)CCO1 ZINC001571296358 946192436 /nfs/dbraw/zinc/19/24/36/946192436.db2.gz VOCPRMTVDGNHBV-SFHVURJKSA-N -1 3 390.444 0.821 20 0 GCADHM COC[C@]1(C(=O)OC(C)(C)C)CN(Cc2cc(-c3nn[n-]n3)ccn2)CCO1 ZINC001571296358 946192441 /nfs/dbraw/zinc/19/24/41/946192441.db2.gz VOCPRMTVDGNHBV-SFHVURJKSA-N -1 3 390.444 0.821 20 0 GCADHM C[C@]1(NC(=O)[C@H]2COCCO2)CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571296441 946194814 /nfs/dbraw/zinc/19/48/14/946194814.db2.gz YEPJCKVCHISWSZ-QAPCUYQASA-N -1 3 390.419 0.502 20 0 GCADHM C[C@]1(NC(=O)[C@@H]2COCCO2)CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571296442 946195084 /nfs/dbraw/zinc/19/50/84/946195084.db2.gz YEPJCKVCHISWSZ-YJBOKZPZSA-N -1 3 390.419 0.502 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573482444 946195940 /nfs/dbraw/zinc/19/59/40/946195940.db2.gz WQCPVUVAZKCGHN-PWSUYJOCSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573482444 946195942 /nfs/dbraw/zinc/19/59/42/946195942.db2.gz WQCPVUVAZKCGHN-PWSUYJOCSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573482658 946200420 /nfs/dbraw/zinc/20/04/20/946200420.db2.gz ZLVOBKNYCDIKOZ-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM NC(=O)[C@@H](C1CC1)N(CC1CC1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571297959 946200347 /nfs/dbraw/zinc/20/03/47/946200347.db2.gz FLJQBVUTCLCMGN-OAHLLOKOSA-N -1 3 390.469 0.672 20 0 GCADHM NC(=O)[C@@H](C1CC1)N(CC1CC1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571297959 946200357 /nfs/dbraw/zinc/20/03/57/946200357.db2.gz FLJQBVUTCLCMGN-OAHLLOKOSA-N -1 3 390.469 0.672 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573482658 946200425 /nfs/dbraw/zinc/20/04/25/946200425.db2.gz ZLVOBKNYCDIKOZ-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM NC(=O)[C@H](C1CC1)N(CC1CC1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571297958 946201178 /nfs/dbraw/zinc/20/11/78/946201178.db2.gz FLJQBVUTCLCMGN-HNNXBMFYSA-N -1 3 390.469 0.672 20 0 GCADHM NC(=O)[C@H](C1CC1)N(CC1CC1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571297958 946201185 /nfs/dbraw/zinc/20/11/85/946201185.db2.gz FLJQBVUTCLCMGN-HNNXBMFYSA-N -1 3 390.469 0.672 20 0 GCADHM CC(=O)N1CC(C(=O)NC2CCN(c3snc(C)c3-c3nnn[n-]3)CC2)C1 ZINC001571298004 946203283 /nfs/dbraw/zinc/20/32/83/946203283.db2.gz GWKWCRVQHOFYNO-UHFFFAOYSA-N -1 3 390.473 0.195 20 0 GCADHM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822864839 946204773 /nfs/dbraw/zinc/20/47/73/946204773.db2.gz MVWGABVUNIKLFP-VIFPVBQESA-N -1 3 391.819 0.573 20 0 GCADHM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822864839 946204782 /nfs/dbraw/zinc/20/47/82/946204782.db2.gz MVWGABVUNIKLFP-VIFPVBQESA-N -1 3 391.819 0.573 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573482908 946205388 /nfs/dbraw/zinc/20/53/88/946205388.db2.gz BUJDSVIOWYKTBK-VXGBXAGGSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573482908 946205396 /nfs/dbraw/zinc/20/53/96/946205396.db2.gz BUJDSVIOWYKTBK-VXGBXAGGSA-N -1 3 386.460 0.507 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)[C@H]2C)c1-c1nnn[n-]1 ZINC001571298102 946205445 /nfs/dbraw/zinc/20/54/45/946205445.db2.gz JOJNFGIADARQHE-MXWKQRLJSA-N -1 3 390.473 0.384 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573482937 946205863 /nfs/dbraw/zinc/20/58/63/946205863.db2.gz CDWXVEMGMVWHJH-SNVBAGLBSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573482937 946205873 /nfs/dbraw/zinc/20/58/73/946205873.db2.gz CDWXVEMGMVWHJH-SNVBAGLBSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573483613 946208869 /nfs/dbraw/zinc/20/88/69/946208869.db2.gz GCKMUPPNUSWIJM-NILFDRSVSA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573483613 946208879 /nfs/dbraw/zinc/20/88/79/946208879.db2.gz GCKMUPPNUSWIJM-NILFDRSVSA-N -1 3 386.460 0.934 20 0 GCADHM NC(=O)NC1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822874077 946209217 /nfs/dbraw/zinc/20/92/17/946209217.db2.gz SXHSQPAEJOCRDM-UHFFFAOYSA-N -1 3 375.458 0.759 20 0 GCADHM NC(=O)NC1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822874077 946209227 /nfs/dbraw/zinc/20/92/27/946209227.db2.gz SXHSQPAEJOCRDM-UHFFFAOYSA-N -1 3 375.458 0.759 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOC[C@@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000822899908 946213655 /nfs/dbraw/zinc/21/36/55/946213655.db2.gz YADZYDGYVBWCPC-NSHDSACASA-N -1 3 382.446 0.512 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOC[C@@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC000822899908 946213661 /nfs/dbraw/zinc/21/36/61/946213661.db2.gz YADZYDGYVBWCPC-NSHDSACASA-N -1 3 382.446 0.512 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000822929447 946222437 /nfs/dbraw/zinc/22/24/37/946222437.db2.gz UNPGROKCQMHKRG-OGZRUICASA-N -1 3 382.424 0.776 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000822929447 946222442 /nfs/dbraw/zinc/22/24/42/946222442.db2.gz UNPGROKCQMHKRG-OGZRUICASA-N -1 3 382.424 0.776 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)c1-c1nnn[n-]1 ZINC001571299071 946238253 /nfs/dbraw/zinc/23/82/53/946238253.db2.gz UEOTVBQBTRGXLW-ZWNOBZJWSA-N -1 3 390.469 0.676 20 0 GCADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000822978963 946242629 /nfs/dbraw/zinc/24/26/29/946242629.db2.gz UDYFTIJYBONOEI-MRXNPFEDSA-N -1 3 384.440 0.695 20 0 GCADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000822978963 946242643 /nfs/dbraw/zinc/24/26/43/946242643.db2.gz UDYFTIJYBONOEI-MRXNPFEDSA-N -1 3 384.440 0.695 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)C1=COCCC1 ZINC001571299491 946251856 /nfs/dbraw/zinc/25/18/56/946251856.db2.gz WMGFTOJFWILDIV-KGLIPLIRSA-N -1 3 390.469 0.674 20 0 GCADHM Cc1nsc(N2CC[C@H](CNC(=O)[C@H]3CC(=O)N(C)C3)C2)c1-c1nnn[n-]1 ZINC001571299538 946252873 /nfs/dbraw/zinc/25/28/73/946252873.db2.gz WSLJOIPATNXCSN-MNOVXSKESA-N -1 3 390.473 0.052 20 0 GCADHM Cc1nsc(N[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)NC3)C2)c1-c1nnn[n-]1 ZINC001571299560 946254071 /nfs/dbraw/zinc/25/40/71/946254071.db2.gz XDQUHVRWMYBGAU-WDEREUQCSA-N -1 3 390.473 0.561 20 0 GCADHM Cc1nsc(N(C)C[C@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)c1-c1nnn[n-]1 ZINC001571299596 946256471 /nfs/dbraw/zinc/25/64/71/946256471.db2.gz YIJMLVYHPRCJJV-MNOVXSKESA-N -1 3 390.473 0.337 20 0 GCADHM Cc1nsc(NC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]2C)c1-c1nnn[n-]1 ZINC001571299713 946259027 /nfs/dbraw/zinc/25/90/27/946259027.db2.gz ZLJMLCZKPDLRBF-FBIMIBRVSA-N -1 3 390.473 0.417 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573487863 946259217 /nfs/dbraw/zinc/25/92/17/946259217.db2.gz UYJWIGNVFYDCCW-UBHSHLNASA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573487863 946259227 /nfs/dbraw/zinc/25/92/27/946259227.db2.gz UYJWIGNVFYDCCW-UBHSHLNASA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001573488012 946262260 /nfs/dbraw/zinc/26/22/60/946262260.db2.gz WMFQPDWQMGMGAG-VZSAFFHGSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001573488012 946262270 /nfs/dbraw/zinc/26/22/70/946262270.db2.gz WMFQPDWQMGMGAG-VZSAFFHGSA-N -1 3 384.444 0.261 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1cocn1 ZINC001571299901 946263624 /nfs/dbraw/zinc/26/36/24/946263624.db2.gz QMOWKAPBTUJPBQ-JTQLQIEISA-N -1 3 390.791 0.538 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1cocn1 ZINC001571299901 946263633 /nfs/dbraw/zinc/26/36/33/946263633.db2.gz QMOWKAPBTUJPBQ-JTQLQIEISA-N -1 3 390.791 0.538 20 0 GCADHM O=C(NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@H]1CCC(=O)N1 ZINC001571299862 946264658 /nfs/dbraw/zinc/26/46/58/946264658.db2.gz PSMRTOITXMCOKH-JOYOIKCWSA-N -1 3 390.835 0.136 20 0 GCADHM O=C(NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@H]1CCC(=O)N1 ZINC001571299862 946264671 /nfs/dbraw/zinc/26/46/71/946264671.db2.gz PSMRTOITXMCOKH-JOYOIKCWSA-N -1 3 390.835 0.136 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O)c1cocn1 ZINC001571299908 946266441 /nfs/dbraw/zinc/26/64/41/946266441.db2.gz QUKBFTOJYREMJO-JQWIXIFHSA-N -1 3 390.791 0.273 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O)c1cocn1 ZINC001571299908 946266452 /nfs/dbraw/zinc/26/64/52/946266452.db2.gz QUKBFTOJYREMJO-JQWIXIFHSA-N -1 3 390.791 0.273 20 0 GCADHM CC(=O)NC1(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573488526 946267885 /nfs/dbraw/zinc/26/78/85/946267885.db2.gz AZQIOKIJKAIHSX-IUODEOHRSA-N -1 3 398.471 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573488526 946267896 /nfs/dbraw/zinc/26/78/96/946267896.db2.gz AZQIOKIJKAIHSX-IUODEOHRSA-N -1 3 398.471 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CCCC1 ZINC001573488567 946269680 /nfs/dbraw/zinc/26/96/80/946269680.db2.gz DFSNDYXPDJVPDH-UHFFFAOYSA-N -1 3 384.444 0.359 20 0 GCADHM CC(=O)NC1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCCC1 ZINC001573488567 946269691 /nfs/dbraw/zinc/26/96/91/946269691.db2.gz DFSNDYXPDJVPDH-UHFFFAOYSA-N -1 3 384.444 0.359 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488591 946270592 /nfs/dbraw/zinc/27/05/92/946270592.db2.gz FBVQPFYAEBRBIC-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488591 946270600 /nfs/dbraw/zinc/27/06/00/946270600.db2.gz FBVQPFYAEBRBIC-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573488716 946275801 /nfs/dbraw/zinc/27/58/01/946275801.db2.gz KEMQIFAABXGMNW-SECBINFHSA-N -1 3 392.489 0.997 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488812 946276834 /nfs/dbraw/zinc/27/68/34/946276834.db2.gz MSOWOOYTBHKWEJ-GFCCVEGCSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488812 946276842 /nfs/dbraw/zinc/27/68/42/946276842.db2.gz MSOWOOYTBHKWEJ-GFCCVEGCSA-N -1 3 386.460 0.969 20 0 GCADHM O=C(N[C@@H]1CC12CCN(C(=O)[C@H]1CC1(F)F)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571301766 946282594 /nfs/dbraw/zinc/28/25/94/946282594.db2.gz CMIRDNLNHQGCQL-ZYHUDNBSSA-N -1 3 391.382 0.961 20 0 GCADHM O=C(N[C@@H]1CC12CCN(C(=O)[C@H]1CC1(F)F)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571301766 946282601 /nfs/dbraw/zinc/28/26/01/946282601.db2.gz CMIRDNLNHQGCQL-ZYHUDNBSSA-N -1 3 391.382 0.961 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823031874 946283872 /nfs/dbraw/zinc/28/38/72/946283872.db2.gz IOXBOFDPCKRCJE-HUUCEWRRSA-N -1 3 391.453 0.814 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571301843 946285677 /nfs/dbraw/zinc/28/56/77/946285677.db2.gz FLNWZMKSJZOEBI-JSGCOSHPSA-N -1 3 391.407 0.609 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571301843 946285688 /nfs/dbraw/zinc/28/56/88/946285688.db2.gz FLNWZMKSJZOEBI-JSGCOSHPSA-N -1 3 391.407 0.609 20 0 GCADHM O=C(NC[C@@H]1CN(C(=O)C2(CF)CC2)CCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571302104 946293392 /nfs/dbraw/zinc/29/33/92/946293392.db2.gz OUEOGCBJSQKWKC-LLVKDONJSA-N -1 3 391.407 0.292 20 0 GCADHM O=C(NC[C@@H]1CN(C(=O)C2(CF)CC2)CCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571302104 946293404 /nfs/dbraw/zinc/29/34/04/946293404.db2.gz OUEOGCBJSQKWKC-LLVKDONJSA-N -1 3 391.407 0.292 20 0 GCADHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001571302076 946293487 /nfs/dbraw/zinc/29/34/87/946293487.db2.gz NCNQUAPJXQPYDW-QKCSRTOESA-N -1 3 391.407 0.005 20 0 GCADHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1CNC(=O)[C@@H]1COCCO1 ZINC001571302076 946293495 /nfs/dbraw/zinc/29/34/95/946293495.db2.gz NCNQUAPJXQPYDW-QKCSRTOESA-N -1 3 391.407 0.005 20 0 GCADHM COC(=O)[C@@H]1[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C1(F)F ZINC001571302183 946295810 /nfs/dbraw/zinc/29/58/10/946295810.db2.gz QMTBPGZZECLBIR-WPRPVWTQSA-N -1 3 391.331 0.338 20 0 GCADHM CN(C(=O)C1(F)CCOCC1)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571302401 946301659 /nfs/dbraw/zinc/30/16/59/946301659.db2.gz WOOUCEHTJBWVHT-UHFFFAOYSA-N -1 3 391.407 0.433 20 0 GCADHM CN(C(=O)C1(F)CCOCC1)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571302401 946301666 /nfs/dbraw/zinc/30/16/66/946301666.db2.gz WOOUCEHTJBWVHT-UHFFFAOYSA-N -1 3 391.407 0.433 20 0 GCADHM CC(=O)N[C@H]1CC2(CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)n2ccnc21 ZINC001573494375 946302550 /nfs/dbraw/zinc/30/25/50/946302550.db2.gz LQAXIFKLTUUFIN-HNNXBMFYSA-N -1 3 382.403 0.994 20 0 GCADHM CC(=O)N[C@H]1CC2(CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)n2ccnc21 ZINC001573494375 946302557 /nfs/dbraw/zinc/30/25/57/946302557.db2.gz LQAXIFKLTUUFIN-HNNXBMFYSA-N -1 3 382.403 0.994 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1ccc(N2CCOCC2)nc1 ZINC000823098465 946309751 /nfs/dbraw/zinc/30/97/51/946309751.db2.gz NCMMGNVLDFMTHP-UHFFFAOYSA-N -1 3 379.424 0.957 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1ccc(N2CCOCC2)nc1 ZINC000823098465 946309768 /nfs/dbraw/zinc/30/97/68/946309768.db2.gz NCMMGNVLDFMTHP-UHFFFAOYSA-N -1 3 379.424 0.957 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)[C@H]1CCn2ccnc2C1 ZINC001571302699 946312713 /nfs/dbraw/zinc/31/27/13/946312713.db2.gz GCVTUCQPQJVYSV-HVOFVXBASA-N -1 3 391.439 0.272 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)[C@H]1CCn2ccnc2C1 ZINC001571302699 946312724 /nfs/dbraw/zinc/31/27/24/946312724.db2.gz GCVTUCQPQJVYSV-HVOFVXBASA-N -1 3 391.439 0.272 20 0 GCADHM CN(C(=O)c1cccc(C(N)=O)c1)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571302773 946313884 /nfs/dbraw/zinc/31/38/84/946313884.db2.gz BVCZCXAZYOEVSQ-UHFFFAOYSA-N -1 3 391.435 0.922 20 0 GCADHM CN(C(=O)c1cccc(C(N)=O)c1)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571302773 946313894 /nfs/dbraw/zinc/31/38/94/946313894.db2.gz BVCZCXAZYOEVSQ-UHFFFAOYSA-N -1 3 391.435 0.922 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@H](CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573496858 946332584 /nfs/dbraw/zinc/33/25/84/946332584.db2.gz FBHCDWLXLNAPJD-LLVKDONJSA-N -1 3 378.462 0.417 20 0 GCADHM CC(=O)NC1CCN(C(=O)CCCN(C)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573496867 946332682 /nfs/dbraw/zinc/33/26/82/946332682.db2.gz FHTYDBBPGPKOJE-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)NC1CCN(C(=O)CCCN(C)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573496867 946332691 /nfs/dbraw/zinc/33/26/91/946332691.db2.gz FHTYDBBPGPKOJE-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]3C2)n1 ZINC001571303341 946332755 /nfs/dbraw/zinc/33/27/55/946332755.db2.gz OTYZSHKOFSQRHM-KGLIPLIRSA-N -1 3 391.439 0.959 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]3C2)n1 ZINC001571303341 946332771 /nfs/dbraw/zinc/33/27/71/946332771.db2.gz OTYZSHKOFSQRHM-KGLIPLIRSA-N -1 3 391.439 0.959 20 0 GCADHM Cc1cnc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]3C2)cn1 ZINC001571303403 946335106 /nfs/dbraw/zinc/33/51/06/946335106.db2.gz QBMUQCBTWHRRMG-CABCVRRESA-N -1 3 391.439 0.959 20 0 GCADHM Cc1cnc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)cn1 ZINC001571303403 946335117 /nfs/dbraw/zinc/33/51/17/946335117.db2.gz QBMUQCBTWHRRMG-CABCVRRESA-N -1 3 391.439 0.959 20 0 GCADHM O=C(NCCCOC1CCOCC1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000823190658 946341131 /nfs/dbraw/zinc/34/11/31/946341131.db2.gz BFVMKDFEOLOITC-UHFFFAOYSA-N -1 3 390.448 0.559 20 0 GCADHM O=C(NCCCOC1CCOCC1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000823190658 946341140 /nfs/dbraw/zinc/34/11/40/946341140.db2.gz BFVMKDFEOLOITC-UHFFFAOYSA-N -1 3 390.448 0.559 20 0 GCADHM CC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573497131 946342960 /nfs/dbraw/zinc/34/29/60/946342960.db2.gz LTBFGEVMLRNCET-CZUORRHYSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823201505 946342892 /nfs/dbraw/zinc/34/28/92/946342892.db2.gz IJXSBEBBYJFGBK-UHFFFAOYSA-N -1 3 395.832 0.557 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823201505 946342895 /nfs/dbraw/zinc/34/28/95/946342895.db2.gz IJXSBEBBYJFGBK-UHFFFAOYSA-N -1 3 395.832 0.557 20 0 GCADHM CC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573497131 946342971 /nfs/dbraw/zinc/34/29/71/946342971.db2.gz LTBFGEVMLRNCET-CZUORRHYSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCO[C@H](C2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573497320 946345711 /nfs/dbraw/zinc/34/57/11/946345711.db2.gz QCXRLHMVWJIATG-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCO[C@H](C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573497320 946345728 /nfs/dbraw/zinc/34/57/28/946345728.db2.gz QCXRLHMVWJIATG-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)c1cnc2n1CCC2 ZINC001571303764 946346832 /nfs/dbraw/zinc/34/68/32/946346832.db2.gz XISWYJFZLGCLTJ-RDBSUJKOSA-N -1 3 391.439 0.944 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)c1cnc2n1CCC2 ZINC001571303764 946346848 /nfs/dbraw/zinc/34/68/48/946346848.db2.gz XISWYJFZLGCLTJ-RDBSUJKOSA-N -1 3 391.439 0.944 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573497379 946349494 /nfs/dbraw/zinc/34/94/94/946349494.db2.gz QWLNMLOLNRTQBZ-NSHDSACASA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573497379 946349508 /nfs/dbraw/zinc/34/95/08/946349508.db2.gz QWLNMLOLNRTQBZ-NSHDSACASA-N -1 3 378.824 0.088 20 0 GCADHM O=C([C@H]1CCc2n[nH]cc2C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571303845 946350221 /nfs/dbraw/zinc/35/02/21/946350221.db2.gz ZGAKWRPQXQVNSA-CQDKDKBSSA-N -1 3 391.439 0.579 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cnn(CC2CC2)c1 ZINC000823249672 946355925 /nfs/dbraw/zinc/35/59/25/946355925.db2.gz FYCDSJXGQMXZCL-UHFFFAOYSA-N -1 3 384.375 0.867 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cnn(CC2CC2)c1 ZINC000823249672 946355937 /nfs/dbraw/zinc/35/59/37/946355937.db2.gz FYCDSJXGQMXZCL-UHFFFAOYSA-N -1 3 384.375 0.867 20 0 GCADHM COC(=O)c1nc(C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)cs1 ZINC001571304112 946358181 /nfs/dbraw/zinc/35/81/81/946358181.db2.gz YDJUJVWYUXOLKA-UHFFFAOYSA-N -1 3 391.438 0.952 20 0 GCADHM COC(=O)c1nc(C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)cs1 ZINC001571304112 946358198 /nfs/dbraw/zinc/35/81/98/946358198.db2.gz YDJUJVWYUXOLKA-UHFFFAOYSA-N -1 3 391.438 0.952 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573498468 946360149 /nfs/dbraw/zinc/36/01/49/946360149.db2.gz ZRSKOZKGGIBEJE-AWEZNQCLSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573498468 946360165 /nfs/dbraw/zinc/36/01/65/946360165.db2.gz ZRSKOZKGGIBEJE-AWEZNQCLSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H](C)[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573499484 946366623 /nfs/dbraw/zinc/36/66/23/946366623.db2.gz DRHNUCBITOHJGB-CMPLNLGQSA-N -1 3 375.408 0.648 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H](C)[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573499484 946366632 /nfs/dbraw/zinc/36/66/32/946366632.db2.gz DRHNUCBITOHJGB-CMPLNLGQSA-N -1 3 375.408 0.648 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H](C)C1 ZINC001573501418 946379473 /nfs/dbraw/zinc/37/94/73/946379473.db2.gz OOMZEMHHJWJFBV-UFBFGSQYSA-N -1 3 378.824 0.310 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)[C@@H](C)C1 ZINC001573501418 946379483 /nfs/dbraw/zinc/37/94/83/946379483.db2.gz OOMZEMHHJWJFBV-UFBFGSQYSA-N -1 3 378.824 0.310 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571306162 946391366 /nfs/dbraw/zinc/39/13/66/946391366.db2.gz QEQWLUOWAGTNIP-MWLCHTKSSA-N -1 3 391.819 0.881 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571306162 946391371 /nfs/dbraw/zinc/39/13/71/946391371.db2.gz QEQWLUOWAGTNIP-MWLCHTKSSA-N -1 3 391.819 0.881 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573503564 946394014 /nfs/dbraw/zinc/39/40/14/946394014.db2.gz AGMRIEYOROGFCY-OKILXGFUSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573503564 946394025 /nfs/dbraw/zinc/39/40/25/946394025.db2.gz AGMRIEYOROGFCY-OKILXGFUSA-N -1 3 384.444 0.276 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCCCS1(=O)=O ZINC001571306403 946400857 /nfs/dbraw/zinc/40/08/57/946400857.db2.gz JWEFIRPPPGNWSQ-OBJOEFQTSA-N -1 3 391.457 0.288 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCCCS1(=O)=O ZINC001571306403 946400858 /nfs/dbraw/zinc/40/08/58/946400858.db2.gz JWEFIRPPPGNWSQ-OBJOEFQTSA-N -1 3 391.457 0.288 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)[C@H]2C1 ZINC001573504171 946405844 /nfs/dbraw/zinc/40/58/44/946405844.db2.gz GWUPHAIVDRRVOW-QEJZJMRPSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)[C@H]2C1 ZINC001573504171 946405849 /nfs/dbraw/zinc/40/58/49/946405849.db2.gz GWUPHAIVDRRVOW-QEJZJMRPSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573504144 946406178 /nfs/dbraw/zinc/40/61/78/946406178.db2.gz GMKNCQCRGOKIRQ-CMPLNLGQSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573504144 946406183 /nfs/dbraw/zinc/40/61/83/946406183.db2.gz GMKNCQCRGOKIRQ-CMPLNLGQSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573504178 946408233 /nfs/dbraw/zinc/40/82/33/946408233.db2.gz FQUOFTFEFCUMNB-GXTWGEPZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573504178 946408236 /nfs/dbraw/zinc/40/82/36/946408236.db2.gz FQUOFTFEFCUMNB-GXTWGEPZSA-N -1 3 386.460 0.745 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1-c1nnn[n-]1 ZINC001571306767 946409123 /nfs/dbraw/zinc/40/91/23/946409123.db2.gz PHRQUSOFBGYEAK-ZYHUDNBSSA-N -1 3 391.457 0.421 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1-c1nn[n-]n1 ZINC001571306767 946409127 /nfs/dbraw/zinc/40/91/27/946409127.db2.gz PHRQUSOFBGYEAK-ZYHUDNBSSA-N -1 3 391.457 0.421 20 0 GCADHM O=C(c1cnn2c1CCC2)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571306741 946409835 /nfs/dbraw/zinc/40/98/35/946409835.db2.gz OGGYYWYZFVMKFT-XJKSGUPXSA-N -1 3 391.439 0.755 20 0 GCADHM O=C(c1cnn2c1CCC2)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571306741 946409840 /nfs/dbraw/zinc/40/98/40/946409840.db2.gz OGGYYWYZFVMKFT-XJKSGUPXSA-N -1 3 391.439 0.755 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1-c1nnn[n-]1 ZINC001571306766 946410055 /nfs/dbraw/zinc/41/00/55/946410055.db2.gz PHRQUSOFBGYEAK-PWSUYJOCSA-N -1 3 391.457 0.421 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1-c1nn[n-]n1 ZINC001571306766 946410061 /nfs/dbraw/zinc/41/00/61/946410061.db2.gz PHRQUSOFBGYEAK-PWSUYJOCSA-N -1 3 391.457 0.421 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573504330 946410136 /nfs/dbraw/zinc/41/01/36/946410136.db2.gz HEIGRYIURSUCEJ-LBPRGKRZSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573504330 946410142 /nfs/dbraw/zinc/41/01/42/946410142.db2.gz HEIGRYIURSUCEJ-LBPRGKRZSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ncc(-c2nnn[n-]2)cc1F ZINC001573504555 946410270 /nfs/dbraw/zinc/41/02/70/946410270.db2.gz HLSFVHMKISKIGC-KBPBESRZSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ncc(-c2nn[n-]n2)cc1F ZINC001573504555 946410276 /nfs/dbraw/zinc/41/02/76/946410276.db2.gz HLSFVHMKISKIGC-KBPBESRZSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573504329 946410550 /nfs/dbraw/zinc/41/05/50/946410550.db2.gz HEIGRYIURSUCEJ-GFCCVEGCSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573504329 946410558 /nfs/dbraw/zinc/41/05/58/946410558.db2.gz HEIGRYIURSUCEJ-GFCCVEGCSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3ncccc3-c3nnn[n-]3)CC[C@H]21 ZINC001573504309 946410671 /nfs/dbraw/zinc/41/06/71/946410671.db2.gz GZNWSNAJTMAFMI-DZGCQCFKSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3ncccc3-c3nn[n-]n3)CC[C@H]21 ZINC001573504309 946410675 /nfs/dbraw/zinc/41/06/75/946410675.db2.gz GZNWSNAJTMAFMI-DZGCQCFKSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573504527 946410959 /nfs/dbraw/zinc/41/09/59/946410959.db2.gz HGQGHKXOAROICH-RISCZKNCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573504527 946410963 /nfs/dbraw/zinc/41/09/63/946410963.db2.gz HGQGHKXOAROICH-RISCZKNCSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571306811 946411141 /nfs/dbraw/zinc/41/11/41/946411141.db2.gz QQBOVVVDMLUXEW-ZYHUDNBSSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571306811 946411149 /nfs/dbraw/zinc/41/11/49/946411149.db2.gz QQBOVVVDMLUXEW-ZYHUDNBSSA-N -1 3 391.457 0.098 20 0 GCADHM COC(=O)[C@@]1(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC001571306845 946412576 /nfs/dbraw/zinc/41/25/76/946412576.db2.gz RIYBEXAOZYXVAX-QGZVFWFLSA-N -1 3 391.453 0.796 20 0 GCADHM COC(=O)[C@@]1(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001571306845 946412580 /nfs/dbraw/zinc/41/25/80/946412580.db2.gz RIYBEXAOZYXVAX-QGZVFWFLSA-N -1 3 391.453 0.796 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504807 946414872 /nfs/dbraw/zinc/41/48/72/946414872.db2.gz KLEQTPOBMINTNM-ZWNOBZJWSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504807 946414879 /nfs/dbraw/zinc/41/48/79/946414879.db2.gz KLEQTPOBMINTNM-ZWNOBZJWSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504764 946415339 /nfs/dbraw/zinc/41/53/39/946415339.db2.gz JLJUWDIMSQGKAQ-KOLCDFICSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504764 946415341 /nfs/dbraw/zinc/41/53/41/946415341.db2.gz JLJUWDIMSQGKAQ-KOLCDFICSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573504830 946415818 /nfs/dbraw/zinc/41/58/18/946415818.db2.gz LCLGKKKRMKRQMY-UHFFFAOYSA-N -1 3 392.489 0.808 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573505301 946419704 /nfs/dbraw/zinc/41/97/04/946419704.db2.gz MBGGRGTZBOVBRP-RISCZKNCSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573505301 946419712 /nfs/dbraw/zinc/41/97/12/946419712.db2.gz MBGGRGTZBOVBRP-RISCZKNCSA-N -1 3 386.460 0.603 20 0 GCADHM O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)NCc1cncc(-c2nnn[n-]2)c1 ZINC001571307227 946420359 /nfs/dbraw/zinc/42/03/59/946420359.db2.gz ACMOCTHQJVWUNJ-QWRGUYRKSA-N -1 3 392.363 0.791 20 0 GCADHM O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)NCc1cncc(-c2nn[n-]n2)c1 ZINC001571307227 946420367 /nfs/dbraw/zinc/42/03/67/946420367.db2.gz ACMOCTHQJVWUNJ-QWRGUYRKSA-N -1 3 392.363 0.791 20 0 GCADHM COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC001571307592 946425632 /nfs/dbraw/zinc/42/56/32/946425632.db2.gz FUXXAYRKPCPKOE-UHFFFAOYSA-N -1 3 392.372 0.666 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573506033 946428754 /nfs/dbraw/zinc/42/87/54/946428754.db2.gz OELGGIZIOAFMOP-ABAIWWIYSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573506033 946428761 /nfs/dbraw/zinc/42/87/61/946428761.db2.gz OELGGIZIOAFMOP-ABAIWWIYSA-N -1 3 386.460 0.745 20 0 GCADHM CN1CCn2nc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2S1(=O)=O ZINC001571308396 946433347 /nfs/dbraw/zinc/43/33/47/946433347.db2.gz POMXGNIFRLEYOX-UHFFFAOYSA-N -1 3 392.376 0.089 20 0 GCADHM CN1CCn2nc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2S1(=O)=O ZINC001571308396 946433351 /nfs/dbraw/zinc/43/33/51/946433351.db2.gz POMXGNIFRLEYOX-UHFFFAOYSA-N -1 3 392.376 0.089 20 0 GCADHM CC(=O)NCC(=O)N1CCC2(C1)CCN(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573506685 946434324 /nfs/dbraw/zinc/43/43/24/946434324.db2.gz RKPMHYDVVPZMAU-UHFFFAOYSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC2(C1)CCN(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573506685 946434331 /nfs/dbraw/zinc/43/43/31/946434331.db2.gz RKPMHYDVVPZMAU-UHFFFAOYSA-N -1 3 384.444 0.217 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000823477788 946434909 /nfs/dbraw/zinc/43/49/09/946434909.db2.gz BXDASEPPRMWIHH-UHFFFAOYSA-N -1 3 376.442 0.835 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000823477788 946434913 /nfs/dbraw/zinc/43/49/13/946434913.db2.gz BXDASEPPRMWIHH-UHFFFAOYSA-N -1 3 376.442 0.835 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)[C@H](C)C1 ZINC001573506868 946439278 /nfs/dbraw/zinc/43/92/78/946439278.db2.gz VAZGNYYYTGDUFT-RISCZKNCSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)[C@H](C)C1 ZINC001573506868 946439286 /nfs/dbraw/zinc/43/92/86/946439286.db2.gz VAZGNYYYTGDUFT-RISCZKNCSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573507044 946440556 /nfs/dbraw/zinc/44/05/56/946440556.db2.gz UPTVKTNPECAQOX-NSHDSACASA-N -1 3 378.824 0.454 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573507044 946440561 /nfs/dbraw/zinc/44/05/61/946440561.db2.gz UPTVKTNPECAQOX-NSHDSACASA-N -1 3 378.824 0.454 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573507042 946441391 /nfs/dbraw/zinc/44/13/91/946441391.db2.gz UPTVKTNPECAQOX-LLVKDONJSA-N -1 3 378.824 0.454 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573507042 946441394 /nfs/dbraw/zinc/44/13/94/946441394.db2.gz UPTVKTNPECAQOX-LLVKDONJSA-N -1 3 378.824 0.454 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001573507143 946443614 /nfs/dbraw/zinc/44/36/14/946443614.db2.gz VDQKISNIPDAYCQ-SFHVURJKSA-N -1 3 384.444 0.135 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001573507143 946443616 /nfs/dbraw/zinc/44/36/16/946443616.db2.gz VDQKISNIPDAYCQ-SFHVURJKSA-N -1 3 384.444 0.135 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2snc(C)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573507458 946447251 /nfs/dbraw/zinc/44/72/51/946447251.db2.gz YAQJBEXGZZFGBF-SKDRFNHKSA-N -1 3 392.489 0.664 20 0 GCADHM NC(=O)c1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571309562 946447703 /nfs/dbraw/zinc/44/77/03/946447703.db2.gz DHKXQOWUJAYOLY-HNNXBMFYSA-N -1 3 392.423 0.759 20 0 GCADHM NC(=O)c1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571309562 946447708 /nfs/dbraw/zinc/44/77/08/946447708.db2.gz DHKXQOWUJAYOLY-HNNXBMFYSA-N -1 3 392.423 0.759 20 0 GCADHM C[C@]1(NC(=O)c2ccc(C(N)=O)cc2)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571309599 946448559 /nfs/dbraw/zinc/44/85/59/946448559.db2.gz FIJJSYLSMCSKIL-IBGZPJMESA-N -1 3 392.423 0.759 20 0 GCADHM C[C@]1(NC(=O)c2ccc(C(N)=O)cc2)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571309599 946448566 /nfs/dbraw/zinc/44/85/66/946448566.db2.gz FIJJSYLSMCSKIL-IBGZPJMESA-N -1 3 392.423 0.759 20 0 GCADHM O=S(=O)(NCc1nnc2n1CCCCC2)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571309606 946448688 /nfs/dbraw/zinc/44/86/88/946448688.db2.gz FPGJOXGFDHINJH-UHFFFAOYSA-N -1 3 392.420 0.802 20 0 GCADHM O=S(=O)(NCc1nnc2n1CCCCC2)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571309606 946448689 /nfs/dbraw/zinc/44/86/89/946448689.db2.gz FPGJOXGFDHINJH-UHFFFAOYSA-N -1 3 392.420 0.802 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)c(=O)[nH]1 ZINC001571309641 946449313 /nfs/dbraw/zinc/44/93/13/946449313.db2.gz GMWRYIXRROGZRG-NHAGDIPZSA-N -1 3 392.423 0.844 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)c(=O)[nH]1 ZINC001571309641 946449319 /nfs/dbraw/zinc/44/93/19/946449319.db2.gz GMWRYIXRROGZRG-NHAGDIPZSA-N -1 3 392.423 0.844 20 0 GCADHM CC(=O)NCC(=O)N1CCC2(CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001573507710 946449880 /nfs/dbraw/zinc/44/98/80/946449880.db2.gz WZIWNIPNNHPADT-UHFFFAOYSA-N -1 3 389.485 0.489 20 0 GCADHM NC(=O)Nc1cccc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001571309715 946450351 /nfs/dbraw/zinc/45/03/51/946450351.db2.gz IMMXRIGEWFJCSY-UHFFFAOYSA-N -1 3 392.423 0.972 20 0 GCADHM NC(=O)Nc1cccc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC001571309715 946450359 /nfs/dbraw/zinc/45/03/59/946450359.db2.gz IMMXRIGEWFJCSY-UHFFFAOYSA-N -1 3 392.423 0.972 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)C2(c3cccnc3)CC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571309644 946451048 /nfs/dbraw/zinc/45/10/48/946451048.db2.gz GOMBPTHOVKLDNO-AWEZNQCLSA-N -1 3 392.423 0.652 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)C2(c3cccnc3)CC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571309644 946451054 /nfs/dbraw/zinc/45/10/54/946451054.db2.gz GOMBPTHOVKLDNO-AWEZNQCLSA-N -1 3 392.423 0.652 20 0 GCADHM Cc1ccncc1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571309674 946451638 /nfs/dbraw/zinc/45/16/38/946451638.db2.gz HIYYJMYKADEWJN-BLLLJJGKSA-N -1 3 392.423 0.885 20 0 GCADHM Cc1ccncc1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571309674 946451646 /nfs/dbraw/zinc/45/16/46/946451646.db2.gz HIYYJMYKADEWJN-BLLLJJGKSA-N -1 3 392.423 0.885 20 0 GCADHM CNC(=O)c1cccc(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571309672 946451834 /nfs/dbraw/zinc/45/18/34/946451834.db2.gz HISMDDFZGLWPMT-AWEZNQCLSA-N -1 3 392.423 0.948 20 0 GCADHM CNC(=O)c1cccc(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571309672 946451837 /nfs/dbraw/zinc/45/18/37/946451837.db2.gz HISMDDFZGLWPMT-AWEZNQCLSA-N -1 3 392.423 0.948 20 0 GCADHM O=S(=O)(NC[C@@H](CO)Cc1cccnc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571309772 946452392 /nfs/dbraw/zinc/45/23/92/946452392.db2.gz KGGZBQTUQTUSIP-LBPRGKRZSA-N -1 3 392.416 0.530 20 0 GCADHM Cc1ccncc1C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571309781 946452976 /nfs/dbraw/zinc/45/29/76/946452976.db2.gz KNQXAUYKKSXOBD-BLLLJJGKSA-N -1 3 392.423 0.885 20 0 GCADHM Cc1ccncc1C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571309781 946452983 /nfs/dbraw/zinc/45/29/83/946452983.db2.gz KNQXAUYKKSXOBD-BLLLJJGKSA-N -1 3 392.423 0.885 20 0 GCADHM O=C(NC1CN([C@H]2CCc3ccccc3NC2=O)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571309757 946453369 /nfs/dbraw/zinc/45/33/69/946453369.db2.gz JTRLOWKZIZSDCQ-INIZCTEOSA-N -1 3 392.423 0.562 20 0 GCADHM O=C(NC1CN([C@H]2CCc3ccccc3NC2=O)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571309757 946453376 /nfs/dbraw/zinc/45/33/76/946453376.db2.gz JTRLOWKZIZSDCQ-INIZCTEOSA-N -1 3 392.423 0.562 20 0 GCADHM CC(=O)NCC(=O)N1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573508875 946454250 /nfs/dbraw/zinc/45/42/50/946454250.db2.gz AJPZMZPGTUJEJH-UHFFFAOYSA-N -1 3 375.408 0.176 20 0 GCADHM CC(=O)NCC(=O)N1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573508875 946454257 /nfs/dbraw/zinc/45/42/57/946454257.db2.gz AJPZMZPGTUJEJH-UHFFFAOYSA-N -1 3 375.408 0.176 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573508834 946454586 /nfs/dbraw/zinc/45/45/86/946454586.db2.gz ADOFEOAOXRILGP-MFKMUULPSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573508834 946454592 /nfs/dbraw/zinc/45/45/92/946454592.db2.gz ADOFEOAOXRILGP-MFKMUULPSA-N -1 3 390.423 0.576 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1 ZINC001571309819 946454960 /nfs/dbraw/zinc/45/49/60/946454960.db2.gz LSAZQRIOHGSENB-XBFCOCLRSA-N -1 3 392.423 0.500 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1 ZINC001571309819 946454968 /nfs/dbraw/zinc/45/49/68/946454968.db2.gz LSAZQRIOHGSENB-XBFCOCLRSA-N -1 3 392.423 0.500 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573508365 946455158 /nfs/dbraw/zinc/45/51/58/946455158.db2.gz ZUPOHGXYPVILJM-RNCFNFMXSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573508365 946455164 /nfs/dbraw/zinc/45/51/64/946455164.db2.gz ZUPOHGXYPVILJM-RNCFNFMXSA-N -1 3 376.396 0.186 20 0 GCADHM O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1ccccc1 ZINC001571309837 946455896 /nfs/dbraw/zinc/45/58/96/946455896.db2.gz MGNLCMVQOIVQJU-HALDLXJZSA-N -1 3 392.423 0.494 20 0 GCADHM O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1ccccc1 ZINC001571309837 946455904 /nfs/dbraw/zinc/45/59/04/946455904.db2.gz MGNLCMVQOIVQJU-HALDLXJZSA-N -1 3 392.423 0.494 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@H]21 ZINC001573508930 946458267 /nfs/dbraw/zinc/45/82/67/946458267.db2.gz BHQHEQFIZSINKZ-NWDGAFQWSA-N -1 3 390.473 0.195 20 0 GCADHM C[C@]12CN(C(=O)c3ccc(=O)[nH]c3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571310145 946463629 /nfs/dbraw/zinc/46/36/29/946463629.db2.gz WQJIQGHTNQLFGI-KUHUBIRLSA-N -1 3 392.423 0.961 20 0 GCADHM C[C@]12CN(C(=O)c3ccc(=O)[nH]c3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571310145 946463637 /nfs/dbraw/zinc/46/36/37/946463637.db2.gz WQJIQGHTNQLFGI-KUHUBIRLSA-N -1 3 392.423 0.961 20 0 GCADHM Cn1ccc(=O)c(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)c1 ZINC001571310133 946463828 /nfs/dbraw/zinc/46/38/28/946463828.db2.gz WEMPSEPJFLZHFS-BLLLJJGKSA-N -1 3 392.423 0.311 20 0 GCADHM Cn1ccc(=O)c(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)c1 ZINC001571310133 946463835 /nfs/dbraw/zinc/46/38/35/946463835.db2.gz WEMPSEPJFLZHFS-BLLLJJGKSA-N -1 3 392.423 0.311 20 0 GCADHM CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573509798 946466930 /nfs/dbraw/zinc/46/69/30/946466930.db2.gz SBOZBJLGEUEZIY-YGRLFVJLSA-N -1 3 391.407 0.170 20 0 GCADHM CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573509798 946466938 /nfs/dbraw/zinc/46/69/38/946466938.db2.gz SBOZBJLGEUEZIY-YGRLFVJLSA-N -1 3 391.407 0.170 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573510050 946468491 /nfs/dbraw/zinc/46/84/91/946468491.db2.gz WXBMCSHFHXKHGM-SWLSCSKDSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573510050 946468502 /nfs/dbraw/zinc/46/85/02/946468502.db2.gz WXBMCSHFHXKHGM-SWLSCSKDSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573510051 946468923 /nfs/dbraw/zinc/46/89/23/946468923.db2.gz WXBMCSHFHXKHGM-WFASDCNBSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573510051 946468930 /nfs/dbraw/zinc/46/89/30/946468930.db2.gz WXBMCSHFHXKHGM-WFASDCNBSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573510211 946473160 /nfs/dbraw/zinc/47/31/60/946473160.db2.gz BSCWEXUBJJHCQS-UGSOOPFHSA-N -1 3 384.444 0.438 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573510211 946473165 /nfs/dbraw/zinc/47/31/65/946473165.db2.gz BSCWEXUBJJHCQS-UGSOOPFHSA-N -1 3 384.444 0.438 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@H]21 ZINC001573510322 946475877 /nfs/dbraw/zinc/47/58/77/946475877.db2.gz FDQOITFZNDJMEH-CZUORRHYSA-N -1 3 387.419 0.175 20 0 GCADHM Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571310567 946476608 /nfs/dbraw/zinc/47/66/08/946476608.db2.gz JCHJMJYVKNHSQR-BJOHPYRUSA-N -1 3 392.445 0.391 20 0 GCADHM Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)[C@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571311248 946485346 /nfs/dbraw/zinc/48/53/46/946485346.db2.gz UORIGTUQEWTYOI-IVZWLZJFSA-N -1 3 392.445 0.437 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573511400 946485545 /nfs/dbraw/zinc/48/55/45/946485545.db2.gz PEHWPSAVJOXXAL-SKDRFNHKSA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573511605 946489020 /nfs/dbraw/zinc/48/90/20/946489020.db2.gz BWNOVXXAVJDVAP-RYUDHWBXSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573511605 946489028 /nfs/dbraw/zinc/48/90/28/946489028.db2.gz BWNOVXXAVJDVAP-RYUDHWBXSA-N -1 3 392.851 0.891 20 0 GCADHM O=C(NCc1ccc(CNc2ncccc2-c2nnn[n-]2)cc1)[C@H]1CCC(=O)N1 ZINC001571312411 946491595 /nfs/dbraw/zinc/49/15/95/946491595.db2.gz CFCCXDMIXPQQOA-OAHLLOKOSA-N -1 3 392.423 0.769 20 0 GCADHM O=C(NCc1ccc(CNc2ncccc2-c2nn[n-]n2)cc1)[C@H]1CCC(=O)N1 ZINC001571312411 946491601 /nfs/dbraw/zinc/49/16/01/946491601.db2.gz CFCCXDMIXPQQOA-OAHLLOKOSA-N -1 3 392.423 0.769 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)[C@H]2Cc3ccncc3C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571312471 946494400 /nfs/dbraw/zinc/49/44/00/946494400.db2.gz FCBKEYGNBVYKDQ-UBHSHLNASA-N -1 3 392.423 0.382 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)[C@H]2Cc3ccncc3C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571312471 946494409 /nfs/dbraw/zinc/49/44/09/946494409.db2.gz FCBKEYGNBVYKDQ-UBHSHLNASA-N -1 3 392.423 0.382 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)[C@H]2Cc3ccncc3C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571312609 946496949 /nfs/dbraw/zinc/49/69/49/946496949.db2.gz ITKROVHKZGQNGH-CQDKDKBSSA-N -1 3 392.423 0.382 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)[C@H]2Cc3ccncc3C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571312609 946496954 /nfs/dbraw/zinc/49/69/54/946496954.db2.gz ITKROVHKZGQNGH-CQDKDKBSSA-N -1 3 392.423 0.382 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C12CCC2 ZINC001573512359 946498008 /nfs/dbraw/zinc/49/80/08/946498008.db2.gz FHJAANGDNUCJRY-GHMZBOCLSA-N -1 3 390.473 0.607 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573512438 946498177 /nfs/dbraw/zinc/49/81/77/946498177.db2.gz FZHGTVSQLQLTKO-RYUDHWBXSA-N -1 3 392.489 0.855 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C12CCC2 ZINC001573513133 946508869 /nfs/dbraw/zinc/50/88/69/946508869.db2.gz KYUALIHKLWWYLL-ZIAGYGMSSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C12CCC2 ZINC001573513133 946508873 /nfs/dbraw/zinc/50/88/73/946508873.db2.gz KYUALIHKLWWYLL-ZIAGYGMSSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001573513705 946513501 /nfs/dbraw/zinc/51/35/01/946513501.db2.gz PNLZVYBTRIWITD-BDJLRTHQSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)c(C)n1)C2 ZINC001573513885 946515127 /nfs/dbraw/zinc/51/51/27/946515127.db2.gz QQOPLTKJEFORRO-IHRRRGAJSA-N -1 3 384.444 0.180 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)c(C)n1)C2 ZINC001573513885 946515140 /nfs/dbraw/zinc/51/51/40/946515140.db2.gz QQOPLTKJEFORRO-IHRRRGAJSA-N -1 3 384.444 0.180 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1C ZINC001573513964 946517178 /nfs/dbraw/zinc/51/71/78/946517178.db2.gz RYRFRRNZDPWWBN-BDJLRTHQSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573514269 946522410 /nfs/dbraw/zinc/52/24/10/946522410.db2.gz WBZDQTSCPXCIPL-BXKDBHETSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573514269 946522417 /nfs/dbraw/zinc/52/24/17/946522417.db2.gz WBZDQTSCPXCIPL-BXKDBHETSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573514222 946523140 /nfs/dbraw/zinc/52/31/40/946523140.db2.gz VOMFYGYIQIVRGN-OAHLLOKOSA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573514222 946523147 /nfs/dbraw/zinc/52/31/47/946523147.db2.gz VOMFYGYIQIVRGN-OAHLLOKOSA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573514268 946523752 /nfs/dbraw/zinc/52/37/52/946523752.db2.gz WAXDRVVULMIJFR-AGUYFDCRSA-N -1 3 384.444 0.322 20 0 GCADHM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573514268 946523760 /nfs/dbraw/zinc/52/37/60/946523760.db2.gz WAXDRVVULMIJFR-AGUYFDCRSA-N -1 3 384.444 0.322 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C12CCC2 ZINC001573514503 946527837 /nfs/dbraw/zinc/52/78/37/946527837.db2.gz YXOVMKJPSYLDAY-UONOGXRCSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C12CCC2 ZINC001573514503 946527839 /nfs/dbraw/zinc/52/78/39/946527839.db2.gz YXOVMKJPSYLDAY-UONOGXRCSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC12CCN(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC001573514522 946528154 /nfs/dbraw/zinc/52/81/54/946528154.db2.gz ZHFOTCKCZDNZAV-CQSZACIVSA-N -1 3 387.419 0.617 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC12CCN(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC001573514522 946528164 /nfs/dbraw/zinc/52/81/64/946528164.db2.gz ZHFOTCKCZDNZAV-CQSZACIVSA-N -1 3 387.419 0.617 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000823967800 946530850 /nfs/dbraw/zinc/53/08/50/946530850.db2.gz PGCAYSARHCJDJG-CYBMUJFWSA-N -1 3 383.416 0.889 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000823967800 946530855 /nfs/dbraw/zinc/53/08/55/946530855.db2.gz PGCAYSARHCJDJG-CYBMUJFWSA-N -1 3 383.416 0.889 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@H](C)C1 ZINC001573515176 946541545 /nfs/dbraw/zinc/54/15/45/946541545.db2.gz IPWFFIYZQAXTHV-BXKDBHETSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@H](C)C1 ZINC001573515176 946541553 /nfs/dbraw/zinc/54/15/53/946541553.db2.gz IPWFFIYZQAXTHV-BXKDBHETSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)[C@@H]1C ZINC001573515333 946543284 /nfs/dbraw/zinc/54/32/84/946543284.db2.gz KZVCIPZAFOOLLJ-MWLCHTKSSA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCC(=O)N2CCN(C(C)=O)CC2)c1 ZINC000824014402 946546537 /nfs/dbraw/zinc/54/65/37/946546537.db2.gz HZSFOHGPFYUCAA-UHFFFAOYSA-N -1 3 385.428 0.562 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCC(=O)N2CCN(C(C)=O)CC2)c1 ZINC000824014402 946546545 /nfs/dbraw/zinc/54/65/45/946546545.db2.gz HZSFOHGPFYUCAA-UHFFFAOYSA-N -1 3 385.428 0.562 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573515665 946548440 /nfs/dbraw/zinc/54/84/40/946548440.db2.gz OVQHTWHIXXCFNX-KWQFWETISA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)[C@H]1C ZINC001573515795 946554849 /nfs/dbraw/zinc/55/48/49/946554849.db2.gz RMNUIAGLLPYMSV-ZANVPECISA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)[C@H]1C ZINC001573515795 946554857 /nfs/dbraw/zinc/55/48/57/946554857.db2.gz RMNUIAGLLPYMSV-ZANVPECISA-N -1 3 376.396 0.010 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824046778 946565792 /nfs/dbraw/zinc/56/57/92/946565792.db2.gz UZRAZOOXZXOPTJ-RYUDHWBXSA-N -1 3 393.473 0.159 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824046778 946565804 /nfs/dbraw/zinc/56/58/04/946565804.db2.gz UZRAZOOXZXOPTJ-RYUDHWBXSA-N -1 3 393.473 0.159 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573518015 946584146 /nfs/dbraw/zinc/58/41/46/946584146.db2.gz VQLFRYCYOZEESH-GFCCVEGCSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573518015 946584153 /nfs/dbraw/zinc/58/41/53/946584153.db2.gz VQLFRYCYOZEESH-GFCCVEGCSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)NC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573518016 946585642 /nfs/dbraw/zinc/58/56/42/946585642.db2.gz VQLFRYCYOZEESH-LBPRGKRZSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)NC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573518016 946585648 /nfs/dbraw/zinc/58/56/48/946585648.db2.gz VQLFRYCYOZEESH-LBPRGKRZSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573520108 946593464 /nfs/dbraw/zinc/59/34/64/946593464.db2.gz DFHBSBQDJRAMAB-LLVKDONJSA-N -1 3 378.462 0.100 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCC(=O)N1CCOCC1 ZINC000824148366 946602554 /nfs/dbraw/zinc/60/25/54/946602554.db2.gz RWEWMZSEJSZVHE-UHFFFAOYSA-N -1 3 376.421 0.404 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCC(=O)N1CCOCC1 ZINC000824148366 946602558 /nfs/dbraw/zinc/60/25/58/946602558.db2.gz RWEWMZSEJSZVHE-UHFFFAOYSA-N -1 3 376.421 0.404 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1C ZINC001573520985 946602905 /nfs/dbraw/zinc/60/29/05/946602905.db2.gz QRASXISKZOBHRB-BXUZGUMPSA-N -1 3 386.460 0.285 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1C ZINC001573520985 946602910 /nfs/dbraw/zinc/60/29/10/946602910.db2.gz QRASXISKZOBHRB-BXUZGUMPSA-N -1 3 386.460 0.285 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1ncc(Cl)s1 ZINC001571317459 946610753 /nfs/dbraw/zinc/61/07/53/946610753.db2.gz IZOPGGVXCXDOHF-RKDXNWHRSA-N -1 3 392.832 0.351 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1ncc(Cl)s1 ZINC001571317459 946610758 /nfs/dbraw/zinc/61/07/58/946610758.db2.gz IZOPGGVXCXDOHF-RKDXNWHRSA-N -1 3 392.832 0.351 20 0 GCADHM C[C@@H]1C[C@H](N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)CCO1 ZINC001571317490 946610911 /nfs/dbraw/zinc/61/09/11/946610911.db2.gz JTXHBTKOXPBEEC-UKRRQHHQSA-N -1 3 392.485 0.741 20 0 GCADHM C[C@@H]1C[C@H](N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)CCO1 ZINC001571317490 946610918 /nfs/dbraw/zinc/61/09/18/946610918.db2.gz JTXHBTKOXPBEEC-UKRRQHHQSA-N -1 3 392.485 0.741 20 0 GCADHM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001571317553 946613474 /nfs/dbraw/zinc/61/34/74/946613474.db2.gz MFFWYQPFBFBXIC-GJZGRUSLSA-N -1 3 392.485 0.934 20 0 GCADHM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001571317553 946613480 /nfs/dbraw/zinc/61/34/80/946613480.db2.gz MFFWYQPFBFBXIC-GJZGRUSLSA-N -1 3 392.485 0.934 20 0 GCADHM CCOC1CC(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2O)C1 ZINC001571317666 946615652 /nfs/dbraw/zinc/61/56/52/946615652.db2.gz QIKXZGNPRXSFQJ-QUINOFQRSA-N -1 3 392.485 0.405 20 0 GCADHM CCOC1CC(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2O)C1 ZINC001571317666 946615662 /nfs/dbraw/zinc/61/56/62/946615662.db2.gz QIKXZGNPRXSFQJ-QUINOFQRSA-N -1 3 392.485 0.405 20 0 GCADHM CO[C@@H](C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1CCOC1 ZINC001571317669 946615813 /nfs/dbraw/zinc/61/58/13/946615813.db2.gz QINHMCHHADDEAL-SWLSCSKDSA-N -1 3 392.485 0.624 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1nc(Cl)cs1 ZINC001571317658 946617051 /nfs/dbraw/zinc/61/70/51/946617051.db2.gz PYJIGLNIPJVDON-RKDXNWHRSA-N -1 3 392.832 0.351 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1nc(Cl)cs1 ZINC001571317658 946617056 /nfs/dbraw/zinc/61/70/56/946617056.db2.gz PYJIGLNIPJVDON-RKDXNWHRSA-N -1 3 392.832 0.351 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC(=O)N1CCOCC1 ZINC000824206442 946621072 /nfs/dbraw/zinc/62/10/72/946621072.db2.gz DRNOLQBXVDFATM-MRXNPFEDSA-N -1 3 388.428 0.245 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC(=O)N1CCOCC1 ZINC000824206442 946621079 /nfs/dbraw/zinc/62/10/79/946621079.db2.gz DRNOLQBXVDFATM-MRXNPFEDSA-N -1 3 388.428 0.245 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573522390 946625708 /nfs/dbraw/zinc/62/57/08/946625708.db2.gz DXWAPSYBDXFUFR-UHFFFAOYSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573522390 946625713 /nfs/dbraw/zinc/62/57/13/946625713.db2.gz DXWAPSYBDXFUFR-UHFFFAOYSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573522365 946625770 /nfs/dbraw/zinc/62/57/70/946625770.db2.gz DLDTZDIXCKHZGY-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573522365 946625772 /nfs/dbraw/zinc/62/57/72/946625772.db2.gz DLDTZDIXCKHZGY-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573522742 946629471 /nfs/dbraw/zinc/62/94/71/946629471.db2.gz JMJCZCDWZJLVLD-SNVBAGLBSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573522742 946629473 /nfs/dbraw/zinc/62/94/73/946629473.db2.gz JMJCZCDWZJLVLD-SNVBAGLBSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573522745 946630168 /nfs/dbraw/zinc/63/01/68/946630168.db2.gz JNJSKCHCERYPPX-FZMZJTMJSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573522745 946630184 /nfs/dbraw/zinc/63/01/84/946630184.db2.gz JNJSKCHCERYPPX-FZMZJTMJSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573527760 946648431 /nfs/dbraw/zinc/64/84/31/946648431.db2.gz HGNLVSDRKLILLD-UHFFFAOYSA-N -1 3 392.489 0.855 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573527936 946650667 /nfs/dbraw/zinc/65/06/67/946650667.db2.gz MDPCXRXODSTGJC-ZDUSSCGKSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573527936 946650673 /nfs/dbraw/zinc/65/06/73/946650673.db2.gz MDPCXRXODSTGJC-ZDUSSCGKSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573527977 946652817 /nfs/dbraw/zinc/65/28/17/946652817.db2.gz NYOQOLUAVZUZPD-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573527977 946652821 /nfs/dbraw/zinc/65/28/21/946652821.db2.gz NYOQOLUAVZUZPD-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573528107 946656747 /nfs/dbraw/zinc/65/67/47/946656747.db2.gz UUIPXPCHTJIIFS-QMMMGPOBSA-N -1 3 380.478 0.711 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573528139 946656963 /nfs/dbraw/zinc/65/69/63/946656963.db2.gz VULOSSOJKDATBP-MQMHXKEQSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573528139 946656966 /nfs/dbraw/zinc/65/69/66/946656966.db2.gz VULOSSOJKDATBP-MQMHXKEQSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](C[S@@](C)=O)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824449013 946710718 /nfs/dbraw/zinc/71/07/18/946710718.db2.gz MHGLGIAONZPZQX-DQQVXTMASA-N -1 3 392.489 0.297 20 0 GCADHM C[C@H](C[S@@](C)=O)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824449013 946710723 /nfs/dbraw/zinc/71/07/23/946710723.db2.gz MHGLGIAONZPZQX-DQQVXTMASA-N -1 3 392.489 0.297 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1)C(C)C ZINC001573535825 946724524 /nfs/dbraw/zinc/72/45/24/946724524.db2.gz KATZNNDYLOLQBH-VNHYZAJKSA-N -1 3 386.460 0.790 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1)C(C)C ZINC001573535825 946724530 /nfs/dbraw/zinc/72/45/30/946724530.db2.gz KATZNNDYLOLQBH-VNHYZAJKSA-N -1 3 386.460 0.790 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(C)c1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573536029 946729639 /nfs/dbraw/zinc/72/96/39/946729639.db2.gz OGIHXYVPTRLWQY-GFCCVEGCSA-N -1 3 380.478 0.345 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536327 946731994 /nfs/dbraw/zinc/73/19/94/946731994.db2.gz SQYGCECUTSYIOQ-TVQRCGJNSA-N -1 3 378.412 0.478 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536327 946732000 /nfs/dbraw/zinc/73/20/00/946732000.db2.gz SQYGCECUTSYIOQ-TVQRCGJNSA-N -1 3 378.412 0.478 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)C ZINC001573536341 946732027 /nfs/dbraw/zinc/73/20/27/946732027.db2.gz SYVYSOGQYMBQPV-SWLSCSKDSA-N -1 3 391.501 0.779 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573536778 946740436 /nfs/dbraw/zinc/74/04/36/946740436.db2.gz DLMBEEWBAUIROX-IUODEOHRSA-N -1 3 388.476 0.990 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573536778 946740445 /nfs/dbraw/zinc/74/04/45/946740445.db2.gz DLMBEEWBAUIROX-IUODEOHRSA-N -1 3 388.476 0.990 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573536707 946740641 /nfs/dbraw/zinc/74/06/41/946740641.db2.gz AOVJBECGBIQTCS-GDBMZVCRSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573536707 946740653 /nfs/dbraw/zinc/74/06/53/946740653.db2.gz AOVJBECGBIQTCS-GDBMZVCRSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537146 946745058 /nfs/dbraw/zinc/74/50/58/946745058.db2.gz JIDPSQODIQIKCX-DZGCQCFKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537146 946745063 /nfs/dbraw/zinc/74/50/63/946745063.db2.gz JIDPSQODIQIKCX-DZGCQCFKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573537128 946745267 /nfs/dbraw/zinc/74/52/67/946745267.db2.gz IJLWKZPBRPBOQZ-DJSGYFEHSA-N -1 3 386.460 0.681 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573537128 946745273 /nfs/dbraw/zinc/74/52/73/946745273.db2.gz IJLWKZPBRPBOQZ-DJSGYFEHSA-N -1 3 386.460 0.681 20 0 GCADHM C[C@H](NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)C(N)=O ZINC000824505872 946751881 /nfs/dbraw/zinc/75/18/81/946751881.db2.gz IUBVLNPLTAPJSD-ZETCQYMHSA-N -1 3 375.780 0.701 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537543 946752869 /nfs/dbraw/zinc/75/28/69/946752869.db2.gz OAUHQXBDSDUEFM-UKRRQHHQSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537543 946752877 /nfs/dbraw/zinc/75/28/77/946752877.db2.gz OAUHQXBDSDUEFM-UKRRQHHQSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537542 946753424 /nfs/dbraw/zinc/75/34/24/946753424.db2.gz OAUHQXBDSDUEFM-DZGCQCFKSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537542 946753435 /nfs/dbraw/zinc/75/34/35/946753435.db2.gz OAUHQXBDSDUEFM-DZGCQCFKSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573537653 946755029 /nfs/dbraw/zinc/75/50/29/946755029.db2.gz QBNYZEDXPIJEFA-LDZOIKDWSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573537653 946755040 /nfs/dbraw/zinc/75/50/40/946755040.db2.gz QBNYZEDXPIJEFA-LDZOIKDWSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573537897 946760635 /nfs/dbraw/zinc/76/06/35/946760635.db2.gz MOJXEGRLJBPZMZ-HNNXBMFYSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573537897 946760642 /nfs/dbraw/zinc/76/06/42/946760642.db2.gz MOJXEGRLJBPZMZ-HNNXBMFYSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573538538 946770324 /nfs/dbraw/zinc/77/03/24/946770324.db2.gz WECBZTLRFRMNIM-AWEZNQCLSA-N -1 3 392.439 0.870 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573538538 946770333 /nfs/dbraw/zinc/77/03/33/946770333.db2.gz WECBZTLRFRMNIM-AWEZNQCLSA-N -1 3 392.439 0.870 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573540637 946782160 /nfs/dbraw/zinc/78/21/60/946782160.db2.gz IUBIYDWBQQMSNH-HUUCEWRRSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573540637 946782165 /nfs/dbraw/zinc/78/21/65/946782165.db2.gz IUBIYDWBQQMSNH-HUUCEWRRSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573541319 946785646 /nfs/dbraw/zinc/78/56/46/946785646.db2.gz QAMYYRZKUCBZDP-CZUORRHYSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573541319 946785657 /nfs/dbraw/zinc/78/56/57/946785657.db2.gz QAMYYRZKUCBZDP-CZUORRHYSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001573541538 946786005 /nfs/dbraw/zinc/78/60/05/946786005.db2.gz QZWNHPTUJFMWQI-SWLSCSKDSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001573541538 946786013 /nfs/dbraw/zinc/78/60/13/946786013.db2.gz QZWNHPTUJFMWQI-SWLSCSKDSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573543329 946805931 /nfs/dbraw/zinc/80/59/31/946805931.db2.gz VPUIDUSKXMDAGO-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573543329 946805940 /nfs/dbraw/zinc/80/59/40/946805940.db2.gz VPUIDUSKXMDAGO-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)Nc1cc(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC001573543345 946806235 /nfs/dbraw/zinc/80/62/35/946806235.db2.gz XDAJBYDERRZZMV-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)Nc1cc(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001573543345 946806240 /nfs/dbraw/zinc/80/62/40/946806240.db2.gz XDAJBYDERRZZMV-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573543492 946809107 /nfs/dbraw/zinc/80/91/07/946809107.db2.gz ZSQJWMBTDDHEEA-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573543492 946809121 /nfs/dbraw/zinc/80/91/21/946809121.db2.gz ZSQJWMBTDDHEEA-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NCCCNc2ncccc2-c2nnn[n-]2)nc1 ZINC001573547006 946822988 /nfs/dbraw/zinc/82/29/88/946822988.db2.gz FEMODWLOBSEDEG-UHFFFAOYSA-N -1 3 381.400 0.847 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NCCCNc2ncccc2-c2nn[n-]n2)nc1 ZINC001573547006 946822997 /nfs/dbraw/zinc/82/29/97/946822997.db2.gz FEMODWLOBSEDEG-UHFFFAOYSA-N -1 3 381.400 0.847 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2ncccc2-c2nnn[n-]2)nc1 ZINC001573547001 946823195 /nfs/dbraw/zinc/82/31/95/946823195.db2.gz FBFOHFLAVZVULP-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2ncccc2-c2nn[n-]n2)nc1 ZINC001573547001 946823208 /nfs/dbraw/zinc/82/32/08/946823208.db2.gz FBFOHFLAVZVULP-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001573547570 946838062 /nfs/dbraw/zinc/83/80/62/946838062.db2.gz PMYWFJXJNIRFKW-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001573547570 946838070 /nfs/dbraw/zinc/83/80/70/946838070.db2.gz PMYWFJXJNIRFKW-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1nc(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)cn2)cs1 ZINC001573547994 946843833 /nfs/dbraw/zinc/84/38/33/946843833.db2.gz AEAVLWWQGPXHGG-UHFFFAOYSA-N -1 3 387.429 0.543 20 0 GCADHM CC(=O)Nc1nc(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)cn2)cs1 ZINC001573547994 946843841 /nfs/dbraw/zinc/84/38/41/946843841.db2.gz AEAVLWWQGPXHGG-UHFFFAOYSA-N -1 3 387.429 0.543 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)cs1 ZINC001573548384 946849152 /nfs/dbraw/zinc/84/91/52/946849152.db2.gz JZWKVWREPADTCB-MRVPVSSYSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)cs1 ZINC001573548384 946849164 /nfs/dbraw/zinc/84/91/64/946849164.db2.gz JZWKVWREPADTCB-MRVPVSSYSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)cn2)cs1 ZINC001573548385 946852130 /nfs/dbraw/zinc/85/21/30/946852130.db2.gz JZWKVWREPADTCB-QMMMGPOBSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)cn2)cs1 ZINC001573548385 946852143 /nfs/dbraw/zinc/85/21/43/946852143.db2.gz JZWKVWREPADTCB-QMMMGPOBSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573548533 946854219 /nfs/dbraw/zinc/85/42/19/946854219.db2.gz MXRMLUCLZMGAEV-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573548533 946854230 /nfs/dbraw/zinc/85/42/30/946854230.db2.gz MXRMLUCLZMGAEV-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1nc(CN2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cs1 ZINC001573548740 946856606 /nfs/dbraw/zinc/85/66/06/946856606.db2.gz SEDVOEPNSSEEQM-UHFFFAOYSA-N -1 3 387.429 0.224 20 0 GCADHM CC(=O)Nc1nc(CN2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cs1 ZINC001573548740 946856617 /nfs/dbraw/zinc/85/66/17/946856617.db2.gz SEDVOEPNSSEEQM-UHFFFAOYSA-N -1 3 387.429 0.224 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573548781 946860305 /nfs/dbraw/zinc/86/03/05/946860305.db2.gz VDMPULYKNOVFJO-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573548781 946860315 /nfs/dbraw/zinc/86/03/15/946860315.db2.gz VDMPULYKNOVFJO-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCOCC1 ZINC000824632743 946874742 /nfs/dbraw/zinc/87/47/42/946874742.db2.gz CUAFOHLMUOYBJI-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCOCC1 ZINC000824632743 946874754 /nfs/dbraw/zinc/87/47/54/946874754.db2.gz CUAFOHLMUOYBJI-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCOCC1 ZINC000824632740 946874857 /nfs/dbraw/zinc/87/48/57/946874857.db2.gz CUAFOHLMUOYBJI-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCOCC1 ZINC000824632740 946874864 /nfs/dbraw/zinc/87/48/64/946874864.db2.gz CUAFOHLMUOYBJI-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)CCCN1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633475 946877338 /nfs/dbraw/zinc/87/73/38/946877338.db2.gz OJNKOGHGZXDJGV-ZDUSSCGKSA-N -1 3 380.474 0.569 20 0 GCADHM C[C@H](NS(=O)(=O)CCCN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633475 946877345 /nfs/dbraw/zinc/87/73/45/946877345.db2.gz OJNKOGHGZXDJGV-ZDUSSCGKSA-N -1 3 380.474 0.569 20 0 GCADHM CC(C)[C@@H]1CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824635050 946879409 /nfs/dbraw/zinc/87/94/09/946879409.db2.gz YDERTDTULZCAIT-RISCZKNCSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)[C@@H]1CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824635050 946879422 /nfs/dbraw/zinc/87/94/22/946879422.db2.gz YDERTDTULZCAIT-RISCZKNCSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)C1CCC1 ZINC000824635156 946881226 /nfs/dbraw/zinc/88/12/26/946881226.db2.gz ZDJNTZOHGHXSNU-GHMZBOCLSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)C1CCC1 ZINC000824635156 946881240 /nfs/dbraw/zinc/88/12/40/946881240.db2.gz ZDJNTZOHGHXSNU-GHMZBOCLSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCOCC1 ZINC000824640281 946881466 /nfs/dbraw/zinc/88/14/66/946881466.db2.gz FNQZOALUHOVQAO-DGCLKSJQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCOCC1 ZINC000824640281 946881483 /nfs/dbraw/zinc/88/14/83/946881483.db2.gz FNQZOALUHOVQAO-DGCLKSJQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(F)(F)C1 ZINC000824633973 946882168 /nfs/dbraw/zinc/88/21/68/946882168.db2.gz SEYVXPLFGXEHMP-VIFPVBQESA-N -1 3 386.384 0.401 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(F)(F)C1 ZINC000824633973 946882182 /nfs/dbraw/zinc/88/21/82/946882182.db2.gz SEYVXPLFGXEHMP-VIFPVBQESA-N -1 3 386.384 0.401 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCCCCCO ZINC000824641361 946883623 /nfs/dbraw/zinc/88/36/23/946883623.db2.gz VAXPUBQQNDFSMP-LBPRGKRZSA-N -1 3 397.457 0.629 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCCCCCO ZINC000824641361 946883633 /nfs/dbraw/zinc/88/36/33/946883633.db2.gz VAXPUBQQNDFSMP-LBPRGKRZSA-N -1 3 397.457 0.629 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(F)(F)C1 ZINC000824640777 946883649 /nfs/dbraw/zinc/88/36/49/946883649.db2.gz ONMBKTRQIWHETG-VIFPVBQESA-N -1 3 386.384 0.401 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(F)(F)C1 ZINC000824640777 946883655 /nfs/dbraw/zinc/88/36/55/946883655.db2.gz ONMBKTRQIWHETG-VIFPVBQESA-N -1 3 386.384 0.401 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824677070 946894720 /nfs/dbraw/zinc/89/47/20/946894720.db2.gz AQAJZJZRWIUSGZ-SECBINFHSA-N -1 3 379.808 0.577 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824677070 946894727 /nfs/dbraw/zinc/89/47/27/946894727.db2.gz AQAJZJZRWIUSGZ-SECBINFHSA-N -1 3 379.808 0.577 20 0 GCADHM C[C@@H](O)C[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000824689323 946895760 /nfs/dbraw/zinc/89/57/60/946895760.db2.gz KQOQXMSCDOSZMP-JGVFFNPUSA-N -1 3 384.343 0.682 20 0 GCADHM C[C@@H](O)C[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000824689323 946895769 /nfs/dbraw/zinc/89/57/69/946895769.db2.gz KQOQXMSCDOSZMP-JGVFFNPUSA-N -1 3 384.343 0.682 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)O ZINC000824686322 946897930 /nfs/dbraw/zinc/89/79/30/946897930.db2.gz BKHYEGJQMWZWRY-GHMZBOCLSA-N -1 3 376.417 0.868 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)O ZINC000824686322 946897944 /nfs/dbraw/zinc/89/79/44/946897944.db2.gz BKHYEGJQMWZWRY-GHMZBOCLSA-N -1 3 376.417 0.868 20 0 GCADHM C[C@@H](O)CNC(=O)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824705749 946904392 /nfs/dbraw/zinc/90/43/92/946904392.db2.gz CZRJYHWAMHSADX-MRVPVSSYSA-N -1 3 390.791 0.141 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824731116 946917270 /nfs/dbraw/zinc/91/72/70/946917270.db2.gz SBXGVWYZCTTYOY-NWDGAFQWSA-N -1 3 394.457 0.126 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824807586 946939961 /nfs/dbraw/zinc/93/99/61/946939961.db2.gz JPRIWWUDDCZLJB-UHFFFAOYSA-N -1 3 390.469 0.888 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824807586 946939965 /nfs/dbraw/zinc/93/99/65/946939965.db2.gz JPRIWWUDDCZLJB-UHFFFAOYSA-N -1 3 390.469 0.888 20 0 GCADHM CC1([C@H]2CCCN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)C2)OCCO1 ZINC000824818671 946943686 /nfs/dbraw/zinc/94/36/86/946943686.db2.gz VBCCMWPSEHZVRZ-NSHDSACASA-N -1 3 394.457 0.494 20 0 GCADHM CC1([C@H]2CCCN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)C2)OCCO1 ZINC000824818671 946943695 /nfs/dbraw/zinc/94/36/95/946943695.db2.gz VBCCMWPSEHZVRZ-NSHDSACASA-N -1 3 394.457 0.494 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3c(C)cccc3-c3nnn[n-]3)C2)nn1 ZINC001573559066 946947057 /nfs/dbraw/zinc/94/70/57/946947057.db2.gz XMYPOOMVOUZNJR-UHFFFAOYSA-N -1 3 388.413 0.215 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3c(C)cccc3-c3nn[n-]n3)C2)nn1 ZINC001573559066 946947064 /nfs/dbraw/zinc/94/70/64/946947064.db2.gz XMYPOOMVOUZNJR-UHFFFAOYSA-N -1 3 388.413 0.215 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000824999200 947034605 /nfs/dbraw/zinc/03/46/05/947034605.db2.gz DOSVBRUYFRWAND-KFWWJZLASA-N -1 3 385.476 0.030 20 0 GCADHM CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825209803 947120069 /nfs/dbraw/zinc/12/00/69/947120069.db2.gz CPXNMZCULZGDMK-CQSZACIVSA-N -1 3 399.459 0.525 20 0 GCADHM CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825209803 947120077 /nfs/dbraw/zinc/12/00/77/947120077.db2.gz CPXNMZCULZGDMK-CQSZACIVSA-N -1 3 399.459 0.525 20 0 GCADHM CCOC(=O)C1CCN(C(=O)CN(C)c2nccc(C)c2-c2nnn[n-]2)CC1 ZINC000825499194 947209006 /nfs/dbraw/zinc/20/90/06/947209006.db2.gz HVNHASROSBNCMP-UHFFFAOYSA-N -1 3 387.444 0.808 20 0 GCADHM CCOC(=O)C1CCN(C(=O)CN(C)c2nccc(C)c2-c2nn[n-]n2)CC1 ZINC000825499194 947209016 /nfs/dbraw/zinc/20/90/16/947209016.db2.gz HVNHASROSBNCMP-UHFFFAOYSA-N -1 3 387.444 0.808 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)CCCN1CCOCC1 ZINC000825608999 947255435 /nfs/dbraw/zinc/25/54/35/947255435.db2.gz HFLGEMHZIZLTDO-UHFFFAOYSA-N -1 3 397.457 0.696 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)CCCN1CCOCC1 ZINC000825608999 947255442 /nfs/dbraw/zinc/25/54/42/947255442.db2.gz HFLGEMHZIZLTDO-UHFFFAOYSA-N -1 3 397.457 0.696 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H](C)c1cccnc1 ZINC001573585565 947260246 /nfs/dbraw/zinc/26/02/46/947260246.db2.gz GSMXEZBAMUCYPC-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H](C)c1cccnc1 ZINC001573585565 947260258 /nfs/dbraw/zinc/26/02/58/947260258.db2.gz GSMXEZBAMUCYPC-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(=O)N1CCOCC1 ZINC000825627377 947264126 /nfs/dbraw/zinc/26/41/26/947264126.db2.gz YJHWFGHERPCNOH-UHFFFAOYSA-N -1 3 375.389 0.246 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(=O)N1CCOCC1 ZINC000825627377 947264137 /nfs/dbraw/zinc/26/41/37/947264137.db2.gz YJHWFGHERPCNOH-UHFFFAOYSA-N -1 3 375.389 0.246 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H](C)c1cccnc1 ZINC001573585888 947269748 /nfs/dbraw/zinc/26/97/48/947269748.db2.gz JHMGDMKJKCVDAT-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H](C)c1cccnc1 ZINC001573585888 947269761 /nfs/dbraw/zinc/26/97/61/947269761.db2.gz JHMGDMKJKCVDAT-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573585872 947270328 /nfs/dbraw/zinc/27/03/28/947270328.db2.gz JDUOWUMYRPXMJF-ZDUSSCGKSA-N -1 3 388.476 0.598 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573585872 947270338 /nfs/dbraw/zinc/27/03/38/947270338.db2.gz JDUOWUMYRPXMJF-ZDUSSCGKSA-N -1 3 388.476 0.598 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H](C)c1cccnc1 ZINC001573585887 947271481 /nfs/dbraw/zinc/27/14/81/947271481.db2.gz JHMGDMKJKCVDAT-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H](C)c1cccnc1 ZINC001573585887 947271493 /nfs/dbraw/zinc/27/14/93/947271493.db2.gz JHMGDMKJKCVDAT-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM CCOc1ncnc2c1CN(C(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000825659063 947279281 /nfs/dbraw/zinc/27/92/81/947279281.db2.gz NJAVWOISIFGHIW-OAHLLOKOSA-N -1 3 381.396 0.674 20 0 GCADHM CCOc1ncnc2c1CN(C(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825659063 947279293 /nfs/dbraw/zinc/27/92/93/947279293.db2.gz NJAVWOISIFGHIW-OAHLLOKOSA-N -1 3 381.396 0.674 20 0 GCADHM CC(C)N(C(=O)[C@H](C)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573587015 947300656 /nfs/dbraw/zinc/30/06/56/947300656.db2.gz VVBWNIHPPVNVHT-ZDUSSCGKSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)N(C(=O)[C@H](C)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573587015 947300669 /nfs/dbraw/zinc/30/06/69/947300669.db2.gz VVBWNIHPPVNVHT-ZDUSSCGKSA-N -1 3 390.492 0.890 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCC(=O)N1 ZINC001573591501 947311784 /nfs/dbraw/zinc/31/17/84/947311784.db2.gz BXZINDIDAHLNFX-ZWNOBZJWSA-N -1 3 389.485 0.486 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001573592798 947348076 /nfs/dbraw/zinc/34/80/76/947348076.db2.gz NCSPNQQTXYXOLG-KBPBESRZSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001573592798 947348089 /nfs/dbraw/zinc/34/80/89/947348089.db2.gz NCSPNQQTXYXOLG-KBPBESRZSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573592752 947349204 /nfs/dbraw/zinc/34/92/04/947349204.db2.gz MNKYOMWZJWPMSA-GXFFZTMASA-N -1 3 375.433 0.132 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573592752 947349213 /nfs/dbraw/zinc/34/92/13/947349213.db2.gz MNKYOMWZJWPMSA-GXFFZTMASA-N -1 3 375.433 0.132 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573592995 947357709 /nfs/dbraw/zinc/35/77/09/947357709.db2.gz HMJUPDWRYPNISJ-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573592995 947357723 /nfs/dbraw/zinc/35/77/23/947357723.db2.gz HMJUPDWRYPNISJ-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573593043 947358527 /nfs/dbraw/zinc/35/85/27/947358527.db2.gz POCOIXMCWDBGTB-NWDGAFQWSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573593043 947358541 /nfs/dbraw/zinc/35/85/41/947358541.db2.gz POCOIXMCWDBGTB-NWDGAFQWSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573593203 947365893 /nfs/dbraw/zinc/36/58/93/947365893.db2.gz RMCGAPFPRVPBRU-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573593203 947365903 /nfs/dbraw/zinc/36/59/03/947365903.db2.gz RMCGAPFPRVPBRU-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573593478 947371321 /nfs/dbraw/zinc/37/13/21/947371321.db2.gz UBLCJVJFQBMQBV-LLVKDONJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573593478 947371334 /nfs/dbraw/zinc/37/13/34/947371334.db2.gz UBLCJVJFQBMQBV-LLVKDONJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC001573593724 947378454 /nfs/dbraw/zinc/37/84/54/947378454.db2.gz VAHLOQUIOUHWAD-GXSJLCMTSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC001573593724 947378467 /nfs/dbraw/zinc/37/84/67/947378467.db2.gz VAHLOQUIOUHWAD-GXSJLCMTSA-N -1 3 387.366 0.716 20 0 GCADHM CN(CCN1CCCC1=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825938919 947378835 /nfs/dbraw/zinc/37/88/35/947378835.db2.gz ZCPJZHCORSNIJP-MRXNPFEDSA-N -1 3 383.456 0.916 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573594631 947403521 /nfs/dbraw/zinc/40/35/21/947403521.db2.gz BNFRZZSWPSYZOA-GHMZBOCLSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573594631 947403527 /nfs/dbraw/zinc/40/35/27/947403527.db2.gz BNFRZZSWPSYZOA-GHMZBOCLSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573594635 947404235 /nfs/dbraw/zinc/40/42/35/947404235.db2.gz BOJIOWHPFAAKIR-GXTWGEPZSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573594635 947404238 /nfs/dbraw/zinc/40/42/38/947404238.db2.gz BOJIOWHPFAAKIR-GXTWGEPZSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573595326 947419686 /nfs/dbraw/zinc/41/96/86/947419686.db2.gz XTLBMFYMLMTKDW-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573595326 947419691 /nfs/dbraw/zinc/41/96/91/947419691.db2.gz XTLBMFYMLMTKDW-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573595328 947420021 /nfs/dbraw/zinc/42/00/21/947420021.db2.gz XTLBMFYMLMTKDW-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573595328 947420027 /nfs/dbraw/zinc/42/00/27/947420027.db2.gz XTLBMFYMLMTKDW-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573596478 947429321 /nfs/dbraw/zinc/42/93/21/947429321.db2.gz KKSIXCAGRBLLOJ-LLVKDONJSA-N -1 3 388.411 0.538 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573596478 947429327 /nfs/dbraw/zinc/42/93/27/947429327.db2.gz KKSIXCAGRBLLOJ-LLVKDONJSA-N -1 3 388.411 0.538 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573596823 947431827 /nfs/dbraw/zinc/43/18/27/947431827.db2.gz LKDFORBXHQYGLK-DOMZBBRYSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001573597870 947438863 /nfs/dbraw/zinc/43/88/63/947438863.db2.gz PFJNUXDHWCKMEN-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001573597870 947438868 /nfs/dbraw/zinc/43/88/68/947438868.db2.gz PFJNUXDHWCKMEN-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM COC(=O)C1(O)CCN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000826129097 947442151 /nfs/dbraw/zinc/44/21/51/947442151.db2.gz JSRCVJZGIJXISE-UHFFFAOYSA-N -1 3 394.457 0.483 20 0 GCADHM COC(=O)C1(O)CCN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000826129097 947442159 /nfs/dbraw/zinc/44/21/59/947442159.db2.gz JSRCVJZGIJXISE-UHFFFAOYSA-N -1 3 394.457 0.483 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573599234 947451932 /nfs/dbraw/zinc/45/19/32/947451932.db2.gz WLBYOYPZIJWEGC-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573599234 947451939 /nfs/dbraw/zinc/45/19/39/947451939.db2.gz WLBYOYPZIJWEGC-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573599241 947452449 /nfs/dbraw/zinc/45/24/49/947452449.db2.gz WOMXEWWZRXVPSL-RYUDHWBXSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573599241 947452459 /nfs/dbraw/zinc/45/24/59/947452459.db2.gz WOMXEWWZRXVPSL-RYUDHWBXSA-N -1 3 383.416 0.325 20 0 GCADHM CC(C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)=C1CCCC1 ZINC001573599746 947461348 /nfs/dbraw/zinc/46/13/48/947461348.db2.gz ZWASTYNCMWJMBA-CYBMUJFWSA-N -1 3 387.444 0.634 20 0 GCADHM CC(C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)=C1CCCC1 ZINC001573599746 947461355 /nfs/dbraw/zinc/46/13/55/947461355.db2.gz ZWASTYNCMWJMBA-CYBMUJFWSA-N -1 3 387.444 0.634 20 0 GCADHM C[C@H](C(=O)N(C)CCN1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573601788 947463529 /nfs/dbraw/zinc/46/35/29/947463529.db2.gz BIKIVEYURRJFDW-AWEZNQCLSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@H](C(=O)N(C)CCN1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573601788 947463533 /nfs/dbraw/zinc/46/35/33/947463533.db2.gz BIKIVEYURRJFDW-AWEZNQCLSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H](C(=O)N(C)CCN1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573601792 947463640 /nfs/dbraw/zinc/46/36/40/947463640.db2.gz BIKIVEYURRJFDW-CQSZACIVSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H](C(=O)N(C)CCN1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573601792 947463646 /nfs/dbraw/zinc/46/36/46/947463646.db2.gz BIKIVEYURRJFDW-CQSZACIVSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573602108 947464773 /nfs/dbraw/zinc/46/47/73/947464773.db2.gz CHUUTADSZSCULE-LBPRGKRZSA-N -1 3 380.474 0.190 20 0 GCADHM C[C@@H](C(=O)N(C)CCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573602686 947470472 /nfs/dbraw/zinc/47/04/72/947470472.db2.gz GYFRJMLLIXKIDW-CYBMUJFWSA-N -1 3 385.476 0.283 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573602994 947476940 /nfs/dbraw/zinc/47/69/40/947476940.db2.gz IJELBXAIALEYSJ-NSHDSACASA-N -1 3 385.432 0.262 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573602994 947476953 /nfs/dbraw/zinc/47/69/53/947476953.db2.gz IJELBXAIALEYSJ-NSHDSACASA-N -1 3 385.432 0.262 20 0 GCADHM COC[C@H](O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826152006 947481081 /nfs/dbraw/zinc/48/10/81/947481081.db2.gz OEVFEZUQQAOTDV-GFCCVEGCSA-N -1 3 392.416 0.106 20 0 GCADHM COC[C@H](O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826152006 947481096 /nfs/dbraw/zinc/48/10/96/947481096.db2.gz OEVFEZUQQAOTDV-GFCCVEGCSA-N -1 3 392.416 0.106 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573603452 947487811 /nfs/dbraw/zinc/48/78/11/947487811.db2.gz HDBZKEVKHZJXGO-ZDUSSCGKSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573603452 947487820 /nfs/dbraw/zinc/48/78/20/947487820.db2.gz HDBZKEVKHZJXGO-ZDUSSCGKSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573603584 947493129 /nfs/dbraw/zinc/49/31/29/947493129.db2.gz OBGLAGVIXXUGCE-LBPRGKRZSA-N -1 3 382.428 0.924 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573603584 947493131 /nfs/dbraw/zinc/49/31/31/947493131.db2.gz OBGLAGVIXXUGCE-LBPRGKRZSA-N -1 3 382.428 0.924 20 0 GCADHM C[C@@H](C(=O)N(C)CCOCCNc1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573603673 947494787 /nfs/dbraw/zinc/49/47/87/947494787.db2.gz JNKPAXBKXMSZQM-ZDUSSCGKSA-N -1 3 385.432 0.606 20 0 GCADHM C[C@@H](C(=O)N(C)CCOCCNc1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573603673 947494793 /nfs/dbraw/zinc/49/47/93/947494793.db2.gz JNKPAXBKXMSZQM-ZDUSSCGKSA-N -1 3 385.432 0.606 20 0 GCADHM COCCOc1cc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)ccn1 ZINC000826160720 947505743 /nfs/dbraw/zinc/50/57/43/947505743.db2.gz CSRWCDAVQPFTSN-UHFFFAOYSA-N -1 3 384.400 0.524 20 0 GCADHM COCCOc1cc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)ccn1 ZINC000826160720 947505757 /nfs/dbraw/zinc/50/57/57/947505757.db2.gz CSRWCDAVQPFTSN-UHFFFAOYSA-N -1 3 384.400 0.524 20 0 GCADHM COCCn1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(C)n1 ZINC000826163774 947514228 /nfs/dbraw/zinc/51/42/28/947514228.db2.gz KQWZNPIOAZHPAU-UHFFFAOYSA-N -1 3 397.443 0.375 20 0 GCADHM COCCn1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(C)n1 ZINC000826163774 947514236 /nfs/dbraw/zinc/51/42/36/947514236.db2.gz KQWZNPIOAZHPAU-UHFFFAOYSA-N -1 3 397.443 0.375 20 0 GCADHM C[C@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573604539 947514304 /nfs/dbraw/zinc/51/43/04/947514304.db2.gz VKDYCQWOJVKAQW-AWEZNQCLSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573604539 947514312 /nfs/dbraw/zinc/51/43/12/947514312.db2.gz VKDYCQWOJVKAQW-AWEZNQCLSA-N -1 3 384.488 0.888 20 0 GCADHM COCCn1cc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c(C)n1 ZINC000826164056 947517449 /nfs/dbraw/zinc/51/74/49/947517449.db2.gz XGNRWPQVBSSTOD-UHFFFAOYSA-N -1 3 397.443 0.375 20 0 GCADHM COCCn1cc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c(C)n1 ZINC000826164056 947517454 /nfs/dbraw/zinc/51/74/54/947517454.db2.gz XGNRWPQVBSSTOD-UHFFFAOYSA-N -1 3 397.443 0.375 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573604863 947520577 /nfs/dbraw/zinc/52/05/77/947520577.db2.gz XJLRTINBUAIOKE-JTQLQIEISA-N -1 3 384.437 0.334 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573604863 947520587 /nfs/dbraw/zinc/52/05/87/947520587.db2.gz XJLRTINBUAIOKE-JTQLQIEISA-N -1 3 384.437 0.334 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573605067 947523585 /nfs/dbraw/zinc/52/35/85/947523585.db2.gz UOLXFQVATRTOAC-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573605067 947523597 /nfs/dbraw/zinc/52/35/97/947523597.db2.gz UOLXFQVATRTOAC-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573605640 947532810 /nfs/dbraw/zinc/53/28/10/947532810.db2.gz XUIDCSTWHXUVRH-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573605640 947532814 /nfs/dbraw/zinc/53/28/14/947532814.db2.gz XUIDCSTWHXUVRH-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573607142 947540314 /nfs/dbraw/zinc/54/03/14/947540314.db2.gz FYPQOJVHFMHWKS-SNVBAGLBSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573607142 947540323 /nfs/dbraw/zinc/54/03/23/947540323.db2.gz FYPQOJVHFMHWKS-SNVBAGLBSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F)n1cccc1 ZINC001573607299 947544991 /nfs/dbraw/zinc/54/49/91/947544991.db2.gz JCYMCDMVDSIVAX-GFCCVEGCSA-N -1 3 388.407 0.696 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F)n1cccc1 ZINC001573607299 947545006 /nfs/dbraw/zinc/54/50/06/947545006.db2.gz JCYMCDMVDSIVAX-GFCCVEGCSA-N -1 3 388.407 0.696 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573607510 947549433 /nfs/dbraw/zinc/54/94/33/947549433.db2.gz ODPQGDMAYAJGPL-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573607510 947549441 /nfs/dbraw/zinc/54/94/41/947549441.db2.gz ODPQGDMAYAJGPL-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM COc1cc(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)ncn1 ZINC000826180502 947558318 /nfs/dbraw/zinc/55/83/18/947558318.db2.gz KJMRVXLQEUGMRC-UHFFFAOYSA-N -1 3 382.388 0.414 20 0 GCADHM COc1cc(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)ncn1 ZINC000826180502 947558320 /nfs/dbraw/zinc/55/83/20/947558320.db2.gz KJMRVXLQEUGMRC-UHFFFAOYSA-N -1 3 382.388 0.414 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573608340 947560238 /nfs/dbraw/zinc/56/02/38/947560238.db2.gz YPNVKGFBQZFQMT-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573608340 947560242 /nfs/dbraw/zinc/56/02/42/947560242.db2.gz YPNVKGFBQZFQMT-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001573608410 947560928 /nfs/dbraw/zinc/56/09/28/947560928.db2.gz ZNYWAFWAPGTLGE-JSGCOSHPSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001573608410 947560938 /nfs/dbraw/zinc/56/09/38/947560938.db2.gz ZNYWAFWAPGTLGE-JSGCOSHPSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cncn1 ZINC001573613582 947564879 /nfs/dbraw/zinc/56/48/79/947564879.db2.gz CWFYAABOKYOQCA-DGCLKSJQSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cncn1 ZINC001573613582 947564884 /nfs/dbraw/zinc/56/48/84/947564884.db2.gz CWFYAABOKYOQCA-DGCLKSJQSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573613702 947568350 /nfs/dbraw/zinc/56/83/50/947568350.db2.gz GUBQNHNQRSIBRP-YVEFUNNKSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573613702 947568360 /nfs/dbraw/zinc/56/83/60/947568360.db2.gz GUBQNHNQRSIBRP-YVEFUNNKSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573613900 947573622 /nfs/dbraw/zinc/57/36/22/947573622.db2.gz BKNCZPORJGMQQE-OLZOCXBDSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573613900 947573630 /nfs/dbraw/zinc/57/36/30/947573630.db2.gz BKNCZPORJGMQQE-OLZOCXBDSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1)n1cncn1 ZINC001573613847 947573851 /nfs/dbraw/zinc/57/38/51/947573851.db2.gz JPJMKLGRTXCNBN-DGCLKSJQSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1)n1cncn1 ZINC001573613847 947573857 /nfs/dbraw/zinc/57/38/57/947573857.db2.gz JPJMKLGRTXCNBN-DGCLKSJQSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2)C1CC1 ZINC001573614150 947578145 /nfs/dbraw/zinc/57/81/45/947578145.db2.gz LFTWLTHGRTZMSD-JQWIXIFHSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2)C1CC1 ZINC001573614150 947578152 /nfs/dbraw/zinc/57/81/52/947578152.db2.gz LFTWLTHGRTZMSD-JQWIXIFHSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573614308 947582384 /nfs/dbraw/zinc/58/23/84/947582384.db2.gz LQVRBYQVVNXQLM-MELADBBJSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573614308 947582390 /nfs/dbraw/zinc/58/23/90/947582390.db2.gz LQVRBYQVVNXQLM-MELADBBJSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nc2)CC1)n1cncn1 ZINC001573614418 947585851 /nfs/dbraw/zinc/58/58/51/947585851.db2.gz FADXMAKQYDXQBE-LBPRGKRZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nc2)CC1)n1cncn1 ZINC001573614418 947585859 /nfs/dbraw/zinc/58/58/59/947585859.db2.gz FADXMAKQYDXQBE-LBPRGKRZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573614807 947594175 /nfs/dbraw/zinc/59/41/75/947594175.db2.gz HMSHIOZFUHEKHQ-KPZWWZAWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573614807 947594179 /nfs/dbraw/zinc/59/41/79/947594179.db2.gz HMSHIOZFUHEKHQ-KPZWWZAWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573614847 947594211 /nfs/dbraw/zinc/59/42/11/947594211.db2.gz AHXMTRZKBOACCA-CMPLNLGQSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573614847 947594221 /nfs/dbraw/zinc/59/42/21/947594221.db2.gz AHXMTRZKBOACCA-CMPLNLGQSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573615387 947604982 /nfs/dbraw/zinc/60/49/82/947604982.db2.gz DRFKSCFZZXUKRP-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573615387 947604988 /nfs/dbraw/zinc/60/49/88/947604988.db2.gz DRFKSCFZZXUKRP-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C=CS(=O)(=O)CCC(=O)N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573351275 947610293 /nfs/dbraw/zinc/61/02/93/947610293.db2.gz PDUMUGSISFHMIF-GFCCVEGCSA-N -1 3 378.414 0.190 20 0 GCADHM C=CS(=O)(=O)CCC(=O)N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573351275 947610299 /nfs/dbraw/zinc/61/02/99/947610299.db2.gz PDUMUGSISFHMIF-GFCCVEGCSA-N -1 3 378.414 0.190 20 0 GCADHM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1)n1cncn1 ZINC001573615760 947610867 /nfs/dbraw/zinc/61/08/67/947610867.db2.gz KIOWLPDBUNVPLT-LBPRGKRZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nc2)CC1)n1cncn1 ZINC001573615760 947610874 /nfs/dbraw/zinc/61/08/74/947610874.db2.gz KIOWLPDBUNVPLT-LBPRGKRZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573616934 947632614 /nfs/dbraw/zinc/63/26/14/947632614.db2.gz ZKNKCYSEWLHIMG-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573616934 947632619 /nfs/dbraw/zinc/63/26/19/947632619.db2.gz ZKNKCYSEWLHIMG-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573617536 947639848 /nfs/dbraw/zinc/63/98/48/947639848.db2.gz LZWAEEBEDFGAIW-YPMHNXCESA-N -1 3 385.407 0.896 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573617536 947639855 /nfs/dbraw/zinc/63/98/55/947639855.db2.gz LZWAEEBEDFGAIW-YPMHNXCESA-N -1 3 385.407 0.896 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573355068 947640436 /nfs/dbraw/zinc/64/04/36/947640436.db2.gz LRIVOKKROLYYKF-CYBMUJFWSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573355068 947640448 /nfs/dbraw/zinc/64/04/48/947640448.db2.gz LRIVOKKROLYYKF-CYBMUJFWSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573617810 947640998 /nfs/dbraw/zinc/64/09/98/947640998.db2.gz NENXIINNEMADIZ-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573617810 947641002 /nfs/dbraw/zinc/64/10/02/947641002.db2.gz NENXIINNEMADIZ-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573618042 947644972 /nfs/dbraw/zinc/64/49/72/947644972.db2.gz PFYMRRLJORWBTG-WFASDCNBSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573618042 947644981 /nfs/dbraw/zinc/64/49/81/947644981.db2.gz PFYMRRLJORWBTG-WFASDCNBSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573619569 947666616 /nfs/dbraw/zinc/66/66/16/947666616.db2.gz VTFKCXJKDORJGX-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573619569 947666624 /nfs/dbraw/zinc/66/66/24/947666624.db2.gz VTFKCXJKDORJGX-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H]1CN(CCCOc2ccc(-c3nn[n-]n3)cc2)CCN1S(C)(=O)=O ZINC000826232481 947679383 /nfs/dbraw/zinc/67/93/83/947679383.db2.gz OVUSGFJKDAJBPW-ZDUSSCGKSA-N -1 3 380.474 0.601 20 0 GCADHM C[C@H]1CN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CCN1S(C)(=O)=O ZINC000826232318 947680070 /nfs/dbraw/zinc/68/00/70/947680070.db2.gz AIVZYBOCBIXNPJ-JTQLQIEISA-N -1 3 399.502 0.223 20 0 GCADHM C[C@H]1CN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CCN1S(C)(=O)=O ZINC000826232318 947680077 /nfs/dbraw/zinc/68/00/77/947680077.db2.gz AIVZYBOCBIXNPJ-JTQLQIEISA-N -1 3 399.502 0.223 20 0 GCADHM C/C(=C/C(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573359260 947682827 /nfs/dbraw/zinc/68/28/27/947682827.db2.gz XONXYWLDQSKPEX-KGBIHWOQSA-N -1 3 387.444 0.442 20 0 GCADHM C/C(=C/C(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573359260 947682837 /nfs/dbraw/zinc/68/28/37/947682837.db2.gz XONXYWLDQSKPEX-KGBIHWOQSA-N -1 3 387.444 0.442 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccnn1C ZINC001573623560 947688582 /nfs/dbraw/zinc/68/85/82/947688582.db2.gz GPAXBONPDUFAAA-GHMZBOCLSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccnn1C ZINC001573623560 947688585 /nfs/dbraw/zinc/68/85/85/947688585.db2.gz GPAXBONPDUFAAA-GHMZBOCLSA-N -1 3 383.416 0.063 20 0 GCADHM C/C(=C\C(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1)C1CC1 ZINC001573361581 947691627 /nfs/dbraw/zinc/69/16/27/947691627.db2.gz BTOLRLJGVYADRZ-DLENHJPASA-N -1 3 383.456 0.984 20 0 GCADHM C/C(=C\C(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1)C1CC1 ZINC001573361581 947691638 /nfs/dbraw/zinc/69/16/38/947691638.db2.gz BTOLRLJGVYADRZ-DLENHJPASA-N -1 3 383.456 0.984 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573625548 947702313 /nfs/dbraw/zinc/70/23/13/947702313.db2.gz OSWYOZFMTRWQGV-TZMCWYRMSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573625548 947702319 /nfs/dbraw/zinc/70/23/19/947702319.db2.gz OSWYOZFMTRWQGV-TZMCWYRMSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cncnc1 ZINC001573625623 947703232 /nfs/dbraw/zinc/70/32/32/947703232.db2.gz PRWPEEKBKQWHJI-GXFFZTMASA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cncnc1 ZINC001573625623 947703235 /nfs/dbraw/zinc/70/32/35/947703235.db2.gz PRWPEEKBKQWHJI-GXFFZTMASA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001573625906 947703825 /nfs/dbraw/zinc/70/38/25/947703825.db2.gz PYYSTWPCOGDTKM-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001573625906 947703833 /nfs/dbraw/zinc/70/38/33/947703833.db2.gz PYYSTWPCOGDTKM-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573363398 947711455 /nfs/dbraw/zinc/71/14/55/947711455.db2.gz CFMJLYYLGGMRIZ-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573363398 947711466 /nfs/dbraw/zinc/71/14/66/947711466.db2.gz CFMJLYYLGGMRIZ-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(CCC(N)=O)CC2)cccc1-c1nnn[n-]1 ZINC000826241106 947714883 /nfs/dbraw/zinc/71/48/83/947714883.db2.gz RGVGQKCHKNUKAV-UHFFFAOYSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(CCC(N)=O)CC2)cccc1-c1nn[n-]n1 ZINC000826241106 947714889 /nfs/dbraw/zinc/71/48/89/947714889.db2.gz RGVGQKCHKNUKAV-UHFFFAOYSA-N -1 3 385.428 0.618 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)N1C(=O)CCC1=O ZINC001573627570 947727437 /nfs/dbraw/zinc/72/74/37/947727437.db2.gz ATAHWEBKNUXQRN-WCQYABFASA-N -1 3 398.427 0.202 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)N1C(=O)CCC1=O ZINC001573627570 947727450 /nfs/dbraw/zinc/72/74/50/947727450.db2.gz ATAHWEBKNUXQRN-WCQYABFASA-N -1 3 398.427 0.202 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573628035 947743361 /nfs/dbraw/zinc/74/33/61/947743361.db2.gz HORUJIBMQOCYIN-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573628035 947743370 /nfs/dbraw/zinc/74/33/70/947743370.db2.gz HORUJIBMQOCYIN-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001573366864 947746935 /nfs/dbraw/zinc/74/69/35/947746935.db2.gz UNBTZMOXOPHBNJ-SNVBAGLBSA-N -1 3 385.833 0.889 20 0 GCADHM CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001573366864 947746944 /nfs/dbraw/zinc/74/69/44/947746944.db2.gz UNBTZMOXOPHBNJ-SNVBAGLBSA-N -1 3 385.833 0.889 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001573367257 947757894 /nfs/dbraw/zinc/75/78/94/947757894.db2.gz BFVSFMCCTDRRHQ-BXUZGUMPSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001573367257 947757899 /nfs/dbraw/zinc/75/78/99/947757899.db2.gz BFVSFMCCTDRRHQ-BXUZGUMPSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573367390 947759712 /nfs/dbraw/zinc/75/97/12/947759712.db2.gz CIJFONKLHIODIR-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM CC(=O)CCCC(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573367390 947759723 /nfs/dbraw/zinc/75/97/23/947759723.db2.gz CIJFONKLHIODIR-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573628630 947760827 /nfs/dbraw/zinc/76/08/27/947760827.db2.gz NAMYJGXLZSWWBV-OLZOCXBDSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573628630 947760829 /nfs/dbraw/zinc/76/08/29/947760829.db2.gz NAMYJGXLZSWWBV-OLZOCXBDSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCCCCC1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573628698 947761986 /nfs/dbraw/zinc/76/19/86/947761986.db2.gz NIMOHRWKHJHQQG-GFCCVEGCSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCCCCC1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573628698 947761995 /nfs/dbraw/zinc/76/19/95/947761995.db2.gz NIMOHRWKHJHQQG-GFCCVEGCSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573628852 947765233 /nfs/dbraw/zinc/76/52/33/947765233.db2.gz OMECOZCWMNNWBN-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573628852 947765239 /nfs/dbraw/zinc/76/52/39/947765239.db2.gz OMECOZCWMNNWBN-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM Cc1cc(C)nc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826265760 947765823 /nfs/dbraw/zinc/76/58/23/947765823.db2.gz MAXWWZZILVKVTK-MRXNPFEDSA-N -1 3 393.455 0.622 20 0 GCADHM Cc1cc(C)nc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826265760 947765828 /nfs/dbraw/zinc/76/58/28/947765828.db2.gz MAXWWZZILVKVTK-MRXNPFEDSA-N -1 3 393.455 0.622 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628945 947766880 /nfs/dbraw/zinc/76/68/80/947766880.db2.gz PHZKAHWPOLMMKR-JSGCOSHPSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628945 947766888 /nfs/dbraw/zinc/76/68/88/947766888.db2.gz PHZKAHWPOLMMKR-JSGCOSHPSA-N -1 3 382.432 0.542 20 0 GCADHM Cc1cc(C)nc(N2CCN(C(=O)CNc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826265844 947767623 /nfs/dbraw/zinc/76/76/23/947767623.db2.gz QCOXMKCGLXRMNE-UHFFFAOYSA-N -1 3 394.443 0.429 20 0 GCADHM Cc1cc(C)nc(N2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826265844 947767631 /nfs/dbraw/zinc/76/76/31/947767631.db2.gz QCOXMKCGLXRMNE-UHFFFAOYSA-N -1 3 394.443 0.429 20 0 GCADHM Cc1cc(CN2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)on1 ZINC000826266110 947768818 /nfs/dbraw/zinc/76/88/18/947768818.db2.gz CGZVEBJGDOVHAR-INIZCTEOSA-N -1 3 383.412 0.541 20 0 GCADHM Cc1cc(CN2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)on1 ZINC000826266110 947768824 /nfs/dbraw/zinc/76/88/24/947768824.db2.gz CGZVEBJGDOVHAR-INIZCTEOSA-N -1 3 383.412 0.541 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573369840 947777693 /nfs/dbraw/zinc/77/76/93/947777693.db2.gz XVXFGUZFSVNYNL-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573369840 947777699 /nfs/dbraw/zinc/77/76/99/947777699.db2.gz XVXFGUZFSVNYNL-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573629476 947779282 /nfs/dbraw/zinc/77/92/82/947779282.db2.gz UIFBWHWBWVUDQC-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573629476 947779287 /nfs/dbraw/zinc/77/92/87/947779287.db2.gz UIFBWHWBWVUDQC-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573369944 947779663 /nfs/dbraw/zinc/77/96/63/947779663.db2.gz ZYJNEUXOJRJUFL-OKILXGFUSA-N -1 3 385.428 0.770 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573369944 947779672 /nfs/dbraw/zinc/77/96/72/947779672.db2.gz ZYJNEUXOJRJUFL-OKILXGFUSA-N -1 3 385.428 0.770 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573630228 947789073 /nfs/dbraw/zinc/78/90/73/947789073.db2.gz WXZKYPZQNCBWDP-CHWSQXEVSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573630739 947795381 /nfs/dbraw/zinc/79/53/81/947795381.db2.gz RWDLBFNRRHUURB-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573630739 947795392 /nfs/dbraw/zinc/79/53/92/947795392.db2.gz RWDLBFNRRHUURB-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001573373466 947795693 /nfs/dbraw/zinc/79/56/93/947795693.db2.gz JCUWXQUZUFAOIS-DGCLKSJQSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001573373466 947795698 /nfs/dbraw/zinc/79/56/98/947795698.db2.gz JCUWXQUZUFAOIS-DGCLKSJQSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001573373821 947798662 /nfs/dbraw/zinc/79/86/62/947798662.db2.gz GFHSJAOAIBMSBM-SMDDNHRTSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001573373821 947798672 /nfs/dbraw/zinc/79/86/72/947798672.db2.gz GFHSJAOAIBMSBM-SMDDNHRTSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573374075 947805029 /nfs/dbraw/zinc/80/50/29/947805029.db2.gz HLSZFCXUNVDION-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573374075 947805040 /nfs/dbraw/zinc/80/50/40/947805040.db2.gz HLSZFCXUNVDION-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573637562 947817710 /nfs/dbraw/zinc/81/77/10/947817710.db2.gz IUNRMGODYPTPSR-LBPRGKRZSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573637562 947817713 /nfs/dbraw/zinc/81/77/13/947817713.db2.gz IUNRMGODYPTPSR-LBPRGKRZSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCO1 ZINC001573637726 947821617 /nfs/dbraw/zinc/82/16/17/947821617.db2.gz OHQLXJOVPQRUJY-WFASDCNBSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCO1 ZINC001573637726 947821625 /nfs/dbraw/zinc/82/16/25/947821625.db2.gz OHQLXJOVPQRUJY-WFASDCNBSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCO1 ZINC001573637723 947823020 /nfs/dbraw/zinc/82/30/20/947823020.db2.gz OHQLXJOVPQRUJY-DOMZBBRYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCO1 ZINC001573637723 947823031 /nfs/dbraw/zinc/82/30/31/947823031.db2.gz OHQLXJOVPQRUJY-DOMZBBRYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573637766 947825633 /nfs/dbraw/zinc/82/56/33/947825633.db2.gz PKIJWBYINFLFPD-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573637766 947825641 /nfs/dbraw/zinc/82/56/41/947825641.db2.gz PKIJWBYINFLFPD-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1)n1cncn1 ZINC001573638220 947835222 /nfs/dbraw/zinc/83/52/22/947835222.db2.gz JYIFAIZQZNNJBC-LBPRGKRZSA-N -1 3 385.407 0.503 20 0 GCADHM C[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1)n1cncn1 ZINC001573638220 947835227 /nfs/dbraw/zinc/83/52/27/947835227.db2.gz JYIFAIZQZNNJBC-LBPRGKRZSA-N -1 3 385.407 0.503 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CCOCC1 ZINC001573638360 947837764 /nfs/dbraw/zinc/83/77/64/947837764.db2.gz LGIHGLVCDVPXHM-LBPRGKRZSA-N -1 3 387.444 0.542 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CCOCC1 ZINC001573638360 947837768 /nfs/dbraw/zinc/83/77/68/947837768.db2.gz LGIHGLVCDVPXHM-LBPRGKRZSA-N -1 3 387.444 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CCOCC1 ZINC001573638359 947837897 /nfs/dbraw/zinc/83/78/97/947837897.db2.gz LGIHGLVCDVPXHM-GFCCVEGCSA-N -1 3 387.444 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CCOCC1 ZINC001573638359 947837907 /nfs/dbraw/zinc/83/79/07/947837907.db2.gz LGIHGLVCDVPXHM-GFCCVEGCSA-N -1 3 387.444 0.542 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573376694 947840577 /nfs/dbraw/zinc/84/05/77/947840577.db2.gz CBWFFGNRHRIROJ-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573376694 947840581 /nfs/dbraw/zinc/84/05/81/947840581.db2.gz CBWFFGNRHRIROJ-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001573376835 947842652 /nfs/dbraw/zinc/84/26/52/947842652.db2.gz YTUDFLAWLSKMIG-YPMHNXCESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001573376835 947842662 /nfs/dbraw/zinc/84/26/62/947842662.db2.gz YTUDFLAWLSKMIG-YPMHNXCESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573377138 947848846 /nfs/dbraw/zinc/84/88/46/947848846.db2.gz JIJKNCRBRDOEQB-OKILXGFUSA-N -1 3 385.428 0.485 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573377138 947848852 /nfs/dbraw/zinc/84/88/52/947848852.db2.gz JIJKNCRBRDOEQB-OKILXGFUSA-N -1 3 385.428 0.485 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573377715 947850187 /nfs/dbraw/zinc/85/01/87/947850187.db2.gz RBPUIXOXBSOIFM-GHMZBOCLSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573377715 947850191 /nfs/dbraw/zinc/85/01/91/947850191.db2.gz RBPUIXOXBSOIFM-GHMZBOCLSA-N -1 3 375.433 0.967 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573640957 947854148 /nfs/dbraw/zinc/85/41/48/947854148.db2.gz KKEZZKXYIZXQJF-OLZOCXBDSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573640957 947854153 /nfs/dbraw/zinc/85/41/53/947854153.db2.gz KKEZZKXYIZXQJF-OLZOCXBDSA-N -1 3 383.416 0.359 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001573378297 947854407 /nfs/dbraw/zinc/85/44/07/947854407.db2.gz YLCYVVGSJPWXJQ-IUODEOHRSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573378297 947854412 /nfs/dbraw/zinc/85/44/12/947854412.db2.gz YLCYVVGSJPWXJQ-IUODEOHRSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001573378109 947854496 /nfs/dbraw/zinc/85/44/96/947854496.db2.gz VUSRJPGZNOUXND-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573378109 947854501 /nfs/dbraw/zinc/85/45/01/947854501.db2.gz VUSRJPGZNOUXND-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573642384 947860929 /nfs/dbraw/zinc/86/09/29/947860929.db2.gz QCFNYDVEKIEDRC-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573642384 947860936 /nfs/dbraw/zinc/86/09/36/947860936.db2.gz QCFNYDVEKIEDRC-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573642440 947861690 /nfs/dbraw/zinc/86/16/90/947861690.db2.gz QMDNEGLUQLJBAX-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573642440 947861697 /nfs/dbraw/zinc/86/16/97/947861697.db2.gz QMDNEGLUQLJBAX-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001573380977 947867098 /nfs/dbraw/zinc/86/70/98/947867098.db2.gz MBQJQBDKPGHLKN-HUUCEWRRSA-N -1 3 387.444 0.385 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001573380977 947867107 /nfs/dbraw/zinc/86/71/07/947867107.db2.gz MBQJQBDKPGHLKN-HUUCEWRRSA-N -1 3 387.444 0.385 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573380938 947867173 /nfs/dbraw/zinc/86/71/73/947867173.db2.gz KOMCBPUUIPPLAB-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573380938 947867180 /nfs/dbraw/zinc/86/71/80/947867180.db2.gz KOMCBPUUIPPLAB-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001573380973 947867365 /nfs/dbraw/zinc/86/73/65/947867365.db2.gz LYOMJTKDMJNFFP-GOSISDBHSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001573380973 947867369 /nfs/dbraw/zinc/86/73/69/947867369.db2.gz LYOMJTKDMJNFFP-GOSISDBHSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573381263 947870252 /nfs/dbraw/zinc/87/02/52/947870252.db2.gz SEEPDVHMSGMULP-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573381263 947870258 /nfs/dbraw/zinc/87/02/58/947870258.db2.gz SEEPDVHMSGMULP-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826299945 947871147 /nfs/dbraw/zinc/87/11/47/947871147.db2.gz BUMVJHTZCOQPPE-RDJZCZTQSA-N -1 3 383.408 0.765 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826299945 947871153 /nfs/dbraw/zinc/87/11/53/947871153.db2.gz BUMVJHTZCOQPPE-RDJZCZTQSA-N -1 3 383.408 0.765 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826299943 947871918 /nfs/dbraw/zinc/87/19/18/947871918.db2.gz BUMVJHTZCOQPPE-DOTOQJQBSA-N -1 3 383.408 0.765 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826299943 947871923 /nfs/dbraw/zinc/87/19/23/947871923.db2.gz BUMVJHTZCOQPPE-DOTOQJQBSA-N -1 3 383.408 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573646164 947872301 /nfs/dbraw/zinc/87/23/01/947872301.db2.gz FZRWQYQNTLQGRU-UWVGGRQHSA-N -1 3 382.421 0.452 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573646164 947872309 /nfs/dbraw/zinc/87/23/09/947872309.db2.gz FZRWQYQNTLQGRU-UWVGGRQHSA-N -1 3 382.421 0.452 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573381361 947873433 /nfs/dbraw/zinc/87/34/33/947873433.db2.gz UBQVWINNUIZUKH-LLVKDONJSA-N -1 3 381.824 0.563 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573381361 947873438 /nfs/dbraw/zinc/87/34/38/947873438.db2.gz UBQVWINNUIZUKH-LLVKDONJSA-N -1 3 381.824 0.563 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573381459 947874040 /nfs/dbraw/zinc/87/40/40/947874040.db2.gz VSXYQUFFKUYVAS-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573381459 947874050 /nfs/dbraw/zinc/87/40/50/947874050.db2.gz VSXYQUFFKUYVAS-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)n1cccn1 ZINC001573646407 947874858 /nfs/dbraw/zinc/87/48/58/947874858.db2.gz LWHOVWVEFHYGBO-HEHGZKQESA-N -1 3 379.428 0.757 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)n1cccn1 ZINC001573646407 947874866 /nfs/dbraw/zinc/87/48/66/947874866.db2.gz LWHOVWVEFHYGBO-HEHGZKQESA-N -1 3 379.428 0.757 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573381450 947875110 /nfs/dbraw/zinc/87/51/10/947875110.db2.gz VPEMQIYRIBPZTB-GOSISDBHSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573381450 947875119 /nfs/dbraw/zinc/87/51/19/947875119.db2.gz VPEMQIYRIBPZTB-GOSISDBHSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573382030 947881146 /nfs/dbraw/zinc/88/11/46/947881146.db2.gz CMVKVQYBOPURHS-CYBMUJFWSA-N -1 3 391.407 0.482 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573382030 947881154 /nfs/dbraw/zinc/88/11/54/947881154.db2.gz CMVKVQYBOPURHS-CYBMUJFWSA-N -1 3 391.407 0.482 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573647147 947885077 /nfs/dbraw/zinc/88/50/77/947885077.db2.gz DCQLYHQFJBMDEX-SOCHQFKDSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573647147 947885080 /nfs/dbraw/zinc/88/50/80/947885080.db2.gz DCQLYHQFJBMDEX-SOCHQFKDSA-N -1 3 385.350 0.970 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573382546 947885803 /nfs/dbraw/zinc/88/58/03/947885803.db2.gz IJMHRHVXTSZQMN-QGZVFWFLSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573382546 947885812 /nfs/dbraw/zinc/88/58/12/947885812.db2.gz IJMHRHVXTSZQMN-QGZVFWFLSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001573383213 947890663 /nfs/dbraw/zinc/89/06/63/947890663.db2.gz QDHXUEFPVQPNHV-DGCLKSJQSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001573383213 947890671 /nfs/dbraw/zinc/89/06/71/947890671.db2.gz QDHXUEFPVQPNHV-DGCLKSJQSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573383788 947894666 /nfs/dbraw/zinc/89/46/66/947894666.db2.gz XIZRHWYWCWHSQL-QGZVFWFLSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573383788 947894680 /nfs/dbraw/zinc/89/46/80/947894680.db2.gz XIZRHWYWCWHSQL-QGZVFWFLSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573383821 947895564 /nfs/dbraw/zinc/89/55/64/947895564.db2.gz BMVLNUQMTWLVHO-DFBGVHRSSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573383821 947895567 /nfs/dbraw/zinc/89/55/67/947895567.db2.gz BMVLNUQMTWLVHO-DFBGVHRSSA-N -1 3 385.428 0.816 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)n1cccn1 ZINC001573647551 947896444 /nfs/dbraw/zinc/89/64/44/947896444.db2.gz ORASUKDFNCKZHX-YUELXQCFSA-N -1 3 379.428 0.614 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)n1cccn1 ZINC001573647551 947896449 /nfs/dbraw/zinc/89/64/49/947896449.db2.gz ORASUKDFNCKZHX-YUELXQCFSA-N -1 3 379.428 0.614 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573647529 947897560 /nfs/dbraw/zinc/89/75/60/947897560.db2.gz NWEGQBYXIDYCPQ-GIPNMCIBSA-N -1 3 386.395 0.512 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573647529 947897572 /nfs/dbraw/zinc/89/75/72/947897572.db2.gz NWEGQBYXIDYCPQ-GIPNMCIBSA-N -1 3 386.395 0.512 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573384189 947898734 /nfs/dbraw/zinc/89/87/34/947898734.db2.gz IPYAQAPVRJBOQP-MNOVXSKESA-N -1 3 379.446 0.057 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647741 947902550 /nfs/dbraw/zinc/90/25/50/947902550.db2.gz SQOGCUOONQXVLT-VWPFQQQWSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647741 947902559 /nfs/dbraw/zinc/90/25/59/947902559.db2.gz SQOGCUOONQXVLT-VWPFQQQWSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)n1cncn1 ZINC001573647880 947903707 /nfs/dbraw/zinc/90/37/07/947903707.db2.gz UWTZEBFCRHGXQB-BNOWGMLFSA-N -1 3 380.416 0.009 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)n1cncn1 ZINC001573647880 947903712 /nfs/dbraw/zinc/90/37/12/947903712.db2.gz UWTZEBFCRHGXQB-BNOWGMLFSA-N -1 3 380.416 0.009 20 0 GCADHM C[C@@H](C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)[C@H](C)S(C)(=O)=O ZINC001573648334 947905763 /nfs/dbraw/zinc/90/57/63/947905763.db2.gz YVKSZGJVOAMNRT-SFYZADRCSA-N -1 3 384.487 0.464 20 0 GCADHM C[C@@H](C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)[C@H](C)S(C)(=O)=O ZINC001573648334 947905773 /nfs/dbraw/zinc/90/57/73/947905773.db2.gz YVKSZGJVOAMNRT-SFYZADRCSA-N -1 3 384.487 0.464 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573650297 947907928 /nfs/dbraw/zinc/90/79/28/947907928.db2.gz AOXFJSUUULMAAW-CNABLZDZSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573650297 947907934 /nfs/dbraw/zinc/90/79/34/947907934.db2.gz AOXFJSUUULMAAW-CNABLZDZSA-N -1 3 383.334 0.580 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573388616 947920940 /nfs/dbraw/zinc/92/09/40/947920940.db2.gz MSEAGDSDTNZFPJ-SKDRFNHKSA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573388616 947920945 /nfs/dbraw/zinc/92/09/45/947920945.db2.gz MSEAGDSDTNZFPJ-SKDRFNHKSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573651494 947922013 /nfs/dbraw/zinc/92/20/13/947922013.db2.gz MOEQMBJSSLOEKE-UGFHNGPFSA-N -1 3 390.469 0.085 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573651718 947923783 /nfs/dbraw/zinc/92/37/83/947923783.db2.gz PVNAFHIELCFJQZ-XBFCOCLRSA-N -1 3 380.412 0.683 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573651718 947923791 /nfs/dbraw/zinc/92/37/91/947923791.db2.gz PVNAFHIELCFJQZ-XBFCOCLRSA-N -1 3 380.412 0.683 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573651994 947926966 /nfs/dbraw/zinc/92/69/66/947926966.db2.gz TZDPGCVDBXLNPG-KBNOKHGBSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573651994 947926969 /nfs/dbraw/zinc/92/69/69/947926969.db2.gz TZDPGCVDBXLNPG-KBNOKHGBSA-N -1 3 392.423 0.580 20 0 GCADHM CC(C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)=C1CCCC1 ZINC001573652033 947926989 /nfs/dbraw/zinc/92/69/89/947926989.db2.gz USKIKYPDNZOSKW-CABCVRRESA-N -1 3 385.428 0.387 20 0 GCADHM CC(C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)=C1CCCC1 ZINC001573652033 947926993 /nfs/dbraw/zinc/92/69/93/947926993.db2.gz USKIKYPDNZOSKW-CABCVRRESA-N -1 3 385.428 0.387 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573389989 947928313 /nfs/dbraw/zinc/92/83/13/947928313.db2.gz VSSDRZOUXJLHNQ-FZMZJTMJSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573389989 947928321 /nfs/dbraw/zinc/92/83/21/947928321.db2.gz VSSDRZOUXJLHNQ-FZMZJTMJSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573390712 947932098 /nfs/dbraw/zinc/93/20/98/947932098.db2.gz AXOUWUUBKHCUGF-UHFFFAOYSA-N -1 3 389.435 0.518 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573390712 947932105 /nfs/dbraw/zinc/93/21/05/947932105.db2.gz AXOUWUUBKHCUGF-UHFFFAOYSA-N -1 3 389.435 0.518 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573652271 947933258 /nfs/dbraw/zinc/93/32/58/947933258.db2.gz WPKRBXBDBKHUDC-NYTXWWLZSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573652271 947933261 /nfs/dbraw/zinc/93/32/61/947933261.db2.gz WPKRBXBDBKHUDC-NYTXWWLZSA-N -1 3 383.456 0.971 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573390968 947933989 /nfs/dbraw/zinc/93/39/89/947933989.db2.gz DVLMNIVTNVNXNQ-LBPRGKRZSA-N -1 3 376.396 0.282 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573390968 947933995 /nfs/dbraw/zinc/93/39/95/947933995.db2.gz DVLMNIVTNVNXNQ-LBPRGKRZSA-N -1 3 376.396 0.282 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573652273 947934184 /nfs/dbraw/zinc/93/41/84/947934184.db2.gz WPKRBXBDBKHUDC-TTZDDIAXSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573652273 947934190 /nfs/dbraw/zinc/93/41/90/947934190.db2.gz WPKRBXBDBKHUDC-TTZDDIAXSA-N -1 3 383.456 0.971 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573391843 947937892 /nfs/dbraw/zinc/93/78/92/947937892.db2.gz MFKLALIHKAAYAU-GFCCVEGCSA-N -1 3 392.851 0.796 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573391843 947937901 /nfs/dbraw/zinc/93/79/01/947937901.db2.gz MFKLALIHKAAYAU-GFCCVEGCSA-N -1 3 392.851 0.796 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccs1 ZINC001573652453 947938031 /nfs/dbraw/zinc/93/80/31/947938031.db2.gz CHBNAOSVTIESPQ-ZJUUUORDSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccs1 ZINC001573652453 947938037 /nfs/dbraw/zinc/93/80/37/947938037.db2.gz CHBNAOSVTIESPQ-ZJUUUORDSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573391793 947938479 /nfs/dbraw/zinc/93/84/79/947938479.db2.gz KSYVWFDMRQVQMV-LSDHHAIUSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573391793 947938482 /nfs/dbraw/zinc/93/84/82/947938482.db2.gz KSYVWFDMRQVQMV-LSDHHAIUSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573391794 947938572 /nfs/dbraw/zinc/93/85/72/947938572.db2.gz KVCNLAMBIMQYEB-GFCCVEGCSA-N -1 3 375.408 0.887 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573391794 947938578 /nfs/dbraw/zinc/93/85/78/947938578.db2.gz KVCNLAMBIMQYEB-GFCCVEGCSA-N -1 3 375.408 0.887 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573392018 947939605 /nfs/dbraw/zinc/93/96/05/947939605.db2.gz PFDACIUYCUFYJM-UHFFFAOYSA-N -1 3 375.408 0.523 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573392018 947939609 /nfs/dbraw/zinc/93/96/09/947939609.db2.gz PFDACIUYCUFYJM-UHFFFAOYSA-N -1 3 375.408 0.523 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001573392086 947941900 /nfs/dbraw/zinc/94/19/00/947941900.db2.gz ROEPFSSHZBFBIH-AWEZNQCLSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001573392086 947941910 /nfs/dbraw/zinc/94/19/10/947941910.db2.gz ROEPFSSHZBFBIH-AWEZNQCLSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001573392181 947944471 /nfs/dbraw/zinc/94/44/71/947944471.db2.gz VHGJXAKYRXFXQN-HUUCEWRRSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001573392181 947944477 /nfs/dbraw/zinc/94/44/77/947944477.db2.gz VHGJXAKYRXFXQN-HUUCEWRRSA-N -1 3 384.444 0.310 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573652908 947948051 /nfs/dbraw/zinc/94/80/51/947948051.db2.gz ICKWBKCFNDMFSH-WCQYABFASA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573652908 947948061 /nfs/dbraw/zinc/94/80/61/947948061.db2.gz ICKWBKCFNDMFSH-WCQYABFASA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573652904 947949541 /nfs/dbraw/zinc/94/95/41/947949541.db2.gz ICKWBKCFNDMFSH-AAEUAGOBSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573652904 947949549 /nfs/dbraw/zinc/94/95/49/947949549.db2.gz ICKWBKCFNDMFSH-AAEUAGOBSA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392706 947950041 /nfs/dbraw/zinc/95/00/41/947950041.db2.gz FRUZYEPIHAOJTP-GXTWGEPZSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392706 947950049 /nfs/dbraw/zinc/95/00/49/947950049.db2.gz FRUZYEPIHAOJTP-GXTWGEPZSA-N -1 3 386.460 0.637 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000826326027 947951775 /nfs/dbraw/zinc/95/17/75/947951775.db2.gz WDQYOBUBNKAQDD-GOEBONIOSA-N -1 3 398.427 0.324 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000826326027 947951784 /nfs/dbraw/zinc/95/17/84/947951784.db2.gz WDQYOBUBNKAQDD-GOEBONIOSA-N -1 3 398.427 0.324 20 0 GCADHM Cc1nc(SCC(=O)NN2CCCNC2=O)c(-c2nnn[n-]2)c(C)c1C ZINC000826327642 947954478 /nfs/dbraw/zinc/95/44/78/947954478.db2.gz OYTZDUGVYMJEDT-UHFFFAOYSA-N -1 3 376.446 0.726 20 0 GCADHM Cc1nc(SCC(=O)NN2CCCNC2=O)c(-c2nn[n-]n2)c(C)c1C ZINC000826327642 947954483 /nfs/dbraw/zinc/95/44/83/947954483.db2.gz OYTZDUGVYMJEDT-UHFFFAOYSA-N -1 3 376.446 0.726 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573393392 947956021 /nfs/dbraw/zinc/95/60/21/947956021.db2.gz LIEJCYOQPBVNRI-IINYFYTJSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573393392 947956026 /nfs/dbraw/zinc/95/60/26/947956026.db2.gz LIEJCYOQPBVNRI-IINYFYTJSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573393421 947957490 /nfs/dbraw/zinc/95/74/90/947957490.db2.gz MEQKQGPEUMBMLO-ZYHUDNBSSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573393421 947957495 /nfs/dbraw/zinc/95/74/95/947957495.db2.gz MEQKQGPEUMBMLO-ZYHUDNBSSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CN(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573393445 947959019 /nfs/dbraw/zinc/95/90/19/947959019.db2.gz NBSMIWPREYIVCP-UHFFFAOYSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CN(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573393445 947959028 /nfs/dbraw/zinc/95/90/28/947959028.db2.gz NBSMIWPREYIVCP-UHFFFAOYSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573393605 947959441 /nfs/dbraw/zinc/95/94/41/947959441.db2.gz NXSXMAXMQYPLDB-LLVKDONJSA-N -1 3 376.396 0.140 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573393605 947959449 /nfs/dbraw/zinc/95/94/49/947959449.db2.gz NXSXMAXMQYPLDB-LLVKDONJSA-N -1 3 376.396 0.140 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nnn[n-]2)cc1F ZINC001573393887 947960095 /nfs/dbraw/zinc/96/00/95/947960095.db2.gz QFIGHALDUAUYDN-BETUJISGSA-N -1 3 388.407 0.059 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nn[n-]n2)cc1F ZINC001573393887 947960099 /nfs/dbraw/zinc/96/00/99/947960099.db2.gz QFIGHALDUAUYDN-BETUJISGSA-N -1 3 388.407 0.059 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001573393729 947960321 /nfs/dbraw/zinc/96/03/21/947960321.db2.gz PJYXZJRIIRIHAY-KGLIPLIRSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001573393729 947960325 /nfs/dbraw/zinc/96/03/25/947960325.db2.gz PJYXZJRIIRIHAY-KGLIPLIRSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(N(C)c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573393879 947961352 /nfs/dbraw/zinc/96/13/52/947961352.db2.gz QAVJQTOIOMPARG-UHFFFAOYSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(N(C)c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573393879 947961359 /nfs/dbraw/zinc/96/13/59/947961359.db2.gz QAVJQTOIOMPARG-UHFFFAOYSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC001573394384 947962289 /nfs/dbraw/zinc/96/22/89/947962289.db2.gz SQBGFOYBKBPBFV-TZMCWYRMSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC001573394384 947962296 /nfs/dbraw/zinc/96/22/96/947962296.db2.gz SQBGFOYBKBPBFV-TZMCWYRMSA-N -1 3 386.460 0.637 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccc1 ZINC001573654247 947963373 /nfs/dbraw/zinc/96/33/73/947963373.db2.gz QDFPIRHLJSYTFQ-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccc1 ZINC001573654247 947963380 /nfs/dbraw/zinc/96/33/80/947963380.db2.gz QDFPIRHLJSYTFQ-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573654249 947964254 /nfs/dbraw/zinc/96/42/54/947964254.db2.gz QEFVNNWSQITJIY-UHIISALHSA-N -1 3 388.476 0.548 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573395264 947968749 /nfs/dbraw/zinc/96/87/49/947968749.db2.gz YCPHOZNNMJCWMJ-AWEZNQCLSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573395264 947968758 /nfs/dbraw/zinc/96/87/58/947968758.db2.gz YCPHOZNNMJCWMJ-AWEZNQCLSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573395645 947969858 /nfs/dbraw/zinc/96/98/58/947969858.db2.gz ZOYOCPSBZIPNEV-BXKDBHETSA-N -1 3 392.489 0.759 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573395660 947970188 /nfs/dbraw/zinc/97/01/88/947970188.db2.gz ZQCSBILAZUMCLP-SFHVURJKSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573395660 947970193 /nfs/dbraw/zinc/97/01/93/947970193.db2.gz ZQCSBILAZUMCLP-SFHVURJKSA-N -1 3 384.444 0.169 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573654693 947970445 /nfs/dbraw/zinc/97/04/45/947970445.db2.gz STYMREBRKIGEAO-JOYOIKCWSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573654693 947970450 /nfs/dbraw/zinc/97/04/50/947970450.db2.gz STYMREBRKIGEAO-JOYOIKCWSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1C ZINC001573395490 947971239 /nfs/dbraw/zinc/97/12/39/947971239.db2.gz YXNQEBHDMSQFDD-ZANVPECISA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)[C@@H]1C ZINC001573395490 947971246 /nfs/dbraw/zinc/97/12/46/947971246.db2.gz YXNQEBHDMSQFDD-ZANVPECISA-N -1 3 392.851 0.795 20 0 GCADHM C[C@@H](C(=O)N[C@](C)(CNc1ncccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573654853 947972538 /nfs/dbraw/zinc/97/25/38/947972538.db2.gz UEJBPLHWCZHKFO-APPDUMDISA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](C(=O)N[C@](C)(CNc1ncccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573654853 947972545 /nfs/dbraw/zinc/97/25/45/947972545.db2.gz UEJBPLHWCZHKFO-APPDUMDISA-N -1 3 382.432 0.811 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC001573397814 947974648 /nfs/dbraw/zinc/97/46/48/947974648.db2.gz DLBJHXNEUKUNBN-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC001573397814 947974654 /nfs/dbraw/zinc/97/46/54/947974654.db2.gz DLBJHXNEUKUNBN-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@](C)(CNc1nc(C)ccc1-c1nnn[n-]1)C1CC1 ZINC001573397789 947974671 /nfs/dbraw/zinc/97/46/71/947974671.db2.gz DFRBOJGLYALCGM-SFHVURJKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@](C)(CNc1nc(C)ccc1-c1nn[n-]n1)C1CC1 ZINC001573397789 947974681 /nfs/dbraw/zinc/97/46/81/947974681.db2.gz DFRBOJGLYALCGM-SFHVURJKSA-N -1 3 386.460 0.745 20 0 GCADHM Cc1noc([C@H]2COCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826339404 947974979 /nfs/dbraw/zinc/97/49/79/947974979.db2.gz CLZRVGUQVZXAEM-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1noc([C@H]2COCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826339404 947974986 /nfs/dbraw/zinc/97/49/86/947974986.db2.gz CLZRVGUQVZXAEM-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573398068 947975859 /nfs/dbraw/zinc/97/58/59/947975859.db2.gz GFAYRIWTODGMDX-VIFPVBQESA-N -1 3 380.840 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573398068 947975863 /nfs/dbraw/zinc/97/58/63/947975863.db2.gz GFAYRIWTODGMDX-VIFPVBQESA-N -1 3 380.840 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2C1 ZINC001573398389 947982193 /nfs/dbraw/zinc/98/21/93/947982193.db2.gz KRDWVZMSONMXQR-BETUJISGSA-N -1 3 387.419 0.379 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2C1 ZINC001573398389 947982204 /nfs/dbraw/zinc/98/22/04/947982204.db2.gz KRDWVZMSONMXQR-BETUJISGSA-N -1 3 387.419 0.379 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573398691 947984033 /nfs/dbraw/zinc/98/40/33/947984033.db2.gz ORSCOMALLDAWOK-GJZGRUSLSA-N -1 3 387.419 0.269 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573398691 947984039 /nfs/dbraw/zinc/98/40/39/947984039.db2.gz ORSCOMALLDAWOK-GJZGRUSLSA-N -1 3 387.419 0.269 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573655980 947984055 /nfs/dbraw/zinc/98/40/55/947984055.db2.gz ASNDGZAMJHBECZ-PIGZYNQJSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573655980 947984064 /nfs/dbraw/zinc/98/40/64/947984064.db2.gz ASNDGZAMJHBECZ-PIGZYNQJSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573656228 947987753 /nfs/dbraw/zinc/98/77/53/947987753.db2.gz DSOSQIFLBAVYEF-LBPRGKRZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573656228 947987759 /nfs/dbraw/zinc/98/77/59/947987759.db2.gz DSOSQIFLBAVYEF-LBPRGKRZSA-N -1 3 382.432 0.590 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](CNc1nc(C)ccc1-c1nnn[n-]1)CC(C)C ZINC001573398966 947988455 /nfs/dbraw/zinc/98/84/55/947988455.db2.gz RNFCDTZIBJHSLN-CQSZACIVSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](CNc1nc(C)ccc1-c1nn[n-]n1)CC(C)C ZINC001573398966 947988466 /nfs/dbraw/zinc/98/84/66/947988466.db2.gz RNFCDTZIBJHSLN-CQSZACIVSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)CCCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573399212 947990180 /nfs/dbraw/zinc/99/01/80/947990180.db2.gz SZVXDJAMTYWQGV-NSHDSACASA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)CCCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573399212 947990186 /nfs/dbraw/zinc/99/01/86/947990186.db2.gz SZVXDJAMTYWQGV-NSHDSACASA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573399290 947990571 /nfs/dbraw/zinc/99/05/71/947990571.db2.gz UWXVTSHTHWZJEY-UHFFFAOYSA-N -1 3 390.423 0.720 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573399290 947990574 /nfs/dbraw/zinc/99/05/74/947990574.db2.gz UWXVTSHTHWZJEY-UHFFFAOYSA-N -1 3 390.423 0.720 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573399329 947992286 /nfs/dbraw/zinc/99/22/86/947992286.db2.gz VMHYQJUBLACKED-MAUKXSAKSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573399329 947992292 /nfs/dbraw/zinc/99/22/92/947992292.db2.gz VMHYQJUBLACKED-MAUKXSAKSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573399766 947993621 /nfs/dbraw/zinc/99/36/21/947993621.db2.gz YIISDBBPLXGCMJ-UHFFFAOYSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573399766 947993629 /nfs/dbraw/zinc/99/36/29/947993629.db2.gz YIISDBBPLXGCMJ-UHFFFAOYSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@](C)(CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573399807 947994624 /nfs/dbraw/zinc/99/46/24/947994624.db2.gz YSNHRHXGHMGSSX-KRWDZBQOSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@](C)(CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573399807 947994626 /nfs/dbraw/zinc/99/46/26/947994626.db2.gz YSNHRHXGHMGSSX-KRWDZBQOSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573399827 947994793 /nfs/dbraw/zinc/99/47/93/947994793.db2.gz YXORBEXPPCBVIR-SCLBCKFNSA-N -1 3 384.444 0.025 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573399827 947994797 /nfs/dbraw/zinc/99/47/97/947994797.db2.gz YXORBEXPPCBVIR-SCLBCKFNSA-N -1 3 384.444 0.025 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cnn(C)c1 ZINC001573657081 947995995 /nfs/dbraw/zinc/99/59/95/947995995.db2.gz KHSPNKXURJWQLQ-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cnn(C)c1 ZINC001573657081 947996001 /nfs/dbraw/zinc/99/60/01/947996001.db2.gz KHSPNKXURJWQLQ-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@@H](C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573657041 947996705 /nfs/dbraw/zinc/99/67/05/947996705.db2.gz JWZCVJYGXMMWJS-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573657041 947996710 /nfs/dbraw/zinc/99/67/10/947996710.db2.gz JWZCVJYGXMMWJS-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573401426 947997976 /nfs/dbraw/zinc/99/79/76/947997976.db2.gz BZPYGPINGLLSBO-CYBMUJFWSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573401426 947997980 /nfs/dbraw/zinc/99/79/80/947997980.db2.gz BZPYGPINGLLSBO-CYBMUJFWSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C)N(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573402367 948003109 /nfs/dbraw/zinc/00/31/09/948003109.db2.gz GDRNUSQJGGNSPH-CABZTGNLSA-N -1 3 392.489 0.583 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573657842 948005270 /nfs/dbraw/zinc/00/52/70/948005270.db2.gz PHIPDBVHTSGOJT-GTNSWQLSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573657842 948005280 /nfs/dbraw/zinc/00/52/80/948005280.db2.gz PHIPDBVHTSGOJT-GTNSWQLSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1ccnn1C ZINC001573657822 948005582 /nfs/dbraw/zinc/00/55/82/948005582.db2.gz PECYOADGOJWYRN-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1ccnn1C ZINC001573657822 948005592 /nfs/dbraw/zinc/00/55/92/948005592.db2.gz PECYOADGOJWYRN-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573402993 948006461 /nfs/dbraw/zinc/00/64/61/948006461.db2.gz JVCSPUDYSCFFHL-LBPRGKRZSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573402993 948006470 /nfs/dbraw/zinc/00/64/70/948006470.db2.gz JVCSPUDYSCFFHL-LBPRGKRZSA-N -1 3 392.851 0.478 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1)C1CC1 ZINC001573658109 948006441 /nfs/dbraw/zinc/00/64/41/948006441.db2.gz QKEKLTXUMDSDIV-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1)C1CC1 ZINC001573658109 948006449 /nfs/dbraw/zinc/00/64/49/948006449.db2.gz QKEKLTXUMDSDIV-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1)C1CC1 ZINC001573658107 948007626 /nfs/dbraw/zinc/00/76/26/948007626.db2.gz QIICGNQQKZZQFH-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1)C1CC1 ZINC001573658107 948007635 /nfs/dbraw/zinc/00/76/35/948007635.db2.gz QIICGNQQKZZQFH-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573403441 948011065 /nfs/dbraw/zinc/01/10/65/948011065.db2.gz MQYRSNYRJQRHDT-YPMHNXCESA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573403441 948011074 /nfs/dbraw/zinc/01/10/74/948011074.db2.gz MQYRSNYRJQRHDT-YPMHNXCESA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1ccnn1C ZINC001573658906 948012489 /nfs/dbraw/zinc/01/24/89/948012489.db2.gz UESXMMHWHZUDBZ-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1ccnn1C ZINC001573658906 948012499 /nfs/dbraw/zinc/01/24/99/948012499.db2.gz UESXMMHWHZUDBZ-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CCOCC1 ZINC001573659471 948015501 /nfs/dbraw/zinc/01/55/01/948015501.db2.gz WGLNICJUPYEOHE-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CCOCC1 ZINC001573659471 948015509 /nfs/dbraw/zinc/01/55/09/948015509.db2.gz WGLNICJUPYEOHE-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cnn(C)c1 ZINC001573660043 948018660 /nfs/dbraw/zinc/01/86/60/948018660.db2.gz XFJFBFACAOJHTD-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cnn(C)c1 ZINC001573660043 948018668 /nfs/dbraw/zinc/01/86/68/948018668.db2.gz XFJFBFACAOJHTD-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573661900 948022895 /nfs/dbraw/zinc/02/28/95/948022895.db2.gz ALQUETUXCRXULJ-VGKMCQHDSA-N -1 3 384.444 0.197 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573661900 948022904 /nfs/dbraw/zinc/02/29/04/948022904.db2.gz ALQUETUXCRXULJ-VGKMCQHDSA-N -1 3 384.444 0.197 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573661894 948023055 /nfs/dbraw/zinc/02/30/55/948023055.db2.gz ALQUETUXCRXULJ-OLJUCXRQSA-N -1 3 384.444 0.197 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573661894 948023064 /nfs/dbraw/zinc/02/30/64/948023064.db2.gz ALQUETUXCRXULJ-OLJUCXRQSA-N -1 3 384.444 0.197 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573404458 948024300 /nfs/dbraw/zinc/02/43/00/948024300.db2.gz FMUSJAMAXXFVMF-SECBINFHSA-N -1 3 380.840 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573404458 948024303 /nfs/dbraw/zinc/02/43/03/948024303.db2.gz FMUSJAMAXXFVMF-SECBINFHSA-N -1 3 380.840 0.700 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573662438 948028236 /nfs/dbraw/zinc/02/82/36/948028236.db2.gz DZNGPZQZPWSDRM-LLVKDONJSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573662438 948028246 /nfs/dbraw/zinc/02/82/46/948028246.db2.gz DZNGPZQZPWSDRM-LLVKDONJSA-N -1 3 385.432 0.078 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573404633 948028654 /nfs/dbraw/zinc/02/86/54/948028654.db2.gz HVYMBLSXOYHIPS-AWEZNQCLSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573404633 948028662 /nfs/dbraw/zinc/02/86/62/948028662.db2.gz HVYMBLSXOYHIPS-AWEZNQCLSA-N -1 3 386.460 0.605 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573663101 948032457 /nfs/dbraw/zinc/03/24/57/948032457.db2.gz IVADZAIZRFSHLN-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573663101 948032465 /nfs/dbraw/zinc/03/24/65/948032465.db2.gz IVADZAIZRFSHLN-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573404827 948033105 /nfs/dbraw/zinc/03/31/05/948033105.db2.gz WTOWQXXAIFZTJH-UKRRQHHQSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573404827 948033111 /nfs/dbraw/zinc/03/31/11/948033111.db2.gz WTOWQXXAIFZTJH-UKRRQHHQSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](C(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573663099 948033121 /nfs/dbraw/zinc/03/31/21/948033121.db2.gz IVADZAIZRFSHLN-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573663099 948033130 /nfs/dbraw/zinc/03/31/30/948033130.db2.gz IVADZAIZRFSHLN-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573663321 948034268 /nfs/dbraw/zinc/03/42/68/948034268.db2.gz LILIYBCQRZCTJV-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573663321 948034276 /nfs/dbraw/zinc/03/42/76/948034276.db2.gz LILIYBCQRZCTJV-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573404954 948035447 /nfs/dbraw/zinc/03/54/47/948035447.db2.gz LZTOZSBUMCTSLC-UHFFFAOYSA-N -1 3 390.423 0.720 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573404954 948035460 /nfs/dbraw/zinc/03/54/60/948035460.db2.gz LZTOZSBUMCTSLC-UHFFFAOYSA-N -1 3 390.423 0.720 20 0 GCADHM Cc1onc(CC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c1-c1nnn[n-]1 ZINC000826346125 948036591 /nfs/dbraw/zinc/03/65/91/948036591.db2.gz CYAZJLBXRJIPOE-OCCSQVGLSA-N -1 3 375.433 0.465 20 0 GCADHM Cc1onc(CC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c1-c1nn[n-]n1 ZINC000826346125 948036600 /nfs/dbraw/zinc/03/66/00/948036600.db2.gz CYAZJLBXRJIPOE-OCCSQVGLSA-N -1 3 375.433 0.465 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573405143 948037997 /nfs/dbraw/zinc/03/79/97/948037997.db2.gz YWGQKDHWNZVUNF-ZFWWWQNUSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573405143 948038005 /nfs/dbraw/zinc/03/80/05/948038005.db2.gz YWGQKDHWNZVUNF-ZFWWWQNUSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573405191 948039695 /nfs/dbraw/zinc/03/96/95/948039695.db2.gz ZYLMNMRLZZRVPL-KGLIPLIRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573405191 948039702 /nfs/dbraw/zinc/03/97/02/948039702.db2.gz ZYLMNMRLZZRVPL-KGLIPLIRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573405456 948044570 /nfs/dbraw/zinc/04/45/70/948044570.db2.gz QWKACJJFIMFBDS-LBPRGKRZSA-N -1 3 375.408 0.427 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573405456 948044580 /nfs/dbraw/zinc/04/45/80/948044580.db2.gz QWKACJJFIMFBDS-LBPRGKRZSA-N -1 3 375.408 0.427 20 0 GCADHM C[C@@H](C(=O)NC1(CO)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001573664021 948046435 /nfs/dbraw/zinc/04/64/35/948046435.db2.gz QZPPKXHIMREBCM-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC1(CO)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001573664021 948046441 /nfs/dbraw/zinc/04/64/41/948046441.db2.gz QZPPKXHIMREBCM-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573664324 948050947 /nfs/dbraw/zinc/05/09/47/948050947.db2.gz TWABDMOPOZJJFM-HZMBPMFUSA-N -1 3 386.460 0.302 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001573406532 948052506 /nfs/dbraw/zinc/05/25/06/948052506.db2.gz JKEBKHHAPCVLMC-LDYMZIIASA-N -1 3 378.462 0.051 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573664515 948055678 /nfs/dbraw/zinc/05/56/78/948055678.db2.gz FFHUXWPQLSXRDB-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573664515 948055686 /nfs/dbraw/zinc/05/56/86/948055686.db2.gz FFHUXWPQLSXRDB-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC1(CO)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)C1CC1 ZINC001573664609 948058183 /nfs/dbraw/zinc/05/81/83/948058183.db2.gz VSUZFTOUFOYKMZ-NSHDSACASA-N -1 3 389.435 0.894 20 0 GCADHM C[C@H](C(=O)NC1(CO)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)C1CC1 ZINC001573664609 948058194 /nfs/dbraw/zinc/05/81/94/948058194.db2.gz VSUZFTOUFOYKMZ-NSHDSACASA-N -1 3 389.435 0.894 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573406782 948058563 /nfs/dbraw/zinc/05/85/63/948058563.db2.gz SUNWRPBELTVYJY-CYBMUJFWSA-N -1 3 375.408 0.175 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573664704 948059130 /nfs/dbraw/zinc/05/91/30/948059130.db2.gz GJFPGJRRVAMLPC-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573664704 948059138 /nfs/dbraw/zinc/05/91/38/948059138.db2.gz GJFPGJRRVAMLPC-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573406965 948060263 /nfs/dbraw/zinc/06/02/63/948060263.db2.gz YJOPLHMZZXGRPQ-ZIAGYGMSSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573406965 948060272 /nfs/dbraw/zinc/06/02/72/948060272.db2.gz YJOPLHMZZXGRPQ-ZIAGYGMSSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573406955 948061253 /nfs/dbraw/zinc/06/12/53/948061253.db2.gz XJYQMTXZELXMGJ-AWEZNQCLSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573406955 948061260 /nfs/dbraw/zinc/06/12/60/948061260.db2.gz XJYQMTXZELXMGJ-AWEZNQCLSA-N -1 3 389.435 0.565 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccc1 ZINC001573664848 948063051 /nfs/dbraw/zinc/06/30/51/948063051.db2.gz HCGMQUGEUUGDPO-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccc1 ZINC001573664848 948063063 /nfs/dbraw/zinc/06/30/63/948063063.db2.gz HCGMQUGEUUGDPO-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573665720 948074163 /nfs/dbraw/zinc/07/41/63/948074163.db2.gz MGZKTYLMXGYYOC-SMDDNHRTSA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@@H]2C)C1 ZINC001573413367 948078838 /nfs/dbraw/zinc/07/88/38/948078838.db2.gz CPCWJBIKMHFUPM-XHDPSFHLSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@@H]2C)C1 ZINC001573413367 948078847 /nfs/dbraw/zinc/07/88/47/948078847.db2.gz CPCWJBIKMHFUPM-XHDPSFHLSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CC(C)(C)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573413645 948084167 /nfs/dbraw/zinc/08/41/67/948084167.db2.gz CKCOMVHYEGLTKX-UHFFFAOYSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573413645 948084177 /nfs/dbraw/zinc/08/41/77/948084177.db2.gz CKCOMVHYEGLTKX-UHFFFAOYSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573413637 948084710 /nfs/dbraw/zinc/08/47/10/948084710.db2.gz DWDWQPSYICLKIE-OAHLLOKOSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573413637 948084722 /nfs/dbraw/zinc/08/47/22/948084722.db2.gz DWDWQPSYICLKIE-OAHLLOKOSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573666257 948085364 /nfs/dbraw/zinc/08/53/64/948085364.db2.gz RQUIMMSSUUSUDX-FZMZJTMJSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573666257 948085373 /nfs/dbraw/zinc/08/53/73/948085373.db2.gz RQUIMMSSUUSUDX-FZMZJTMJSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573666642 948089108 /nfs/dbraw/zinc/08/91/08/948089108.db2.gz UTJLCTQKLXXOME-NWDGAFQWSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573666642 948089120 /nfs/dbraw/zinc/08/91/20/948089120.db2.gz UTJLCTQKLXXOME-NWDGAFQWSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573666633 948090062 /nfs/dbraw/zinc/09/00/62/948090062.db2.gz USRPNAHNGYPTIX-FZMZJTMJSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573666633 948090070 /nfs/dbraw/zinc/09/00/70/948090070.db2.gz USRPNAHNGYPTIX-FZMZJTMJSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573666630 948090768 /nfs/dbraw/zinc/09/07/68/948090768.db2.gz USRPNAHNGYPTIX-BXUZGUMPSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573666630 948090777 /nfs/dbraw/zinc/09/07/77/948090777.db2.gz USRPNAHNGYPTIX-BXUZGUMPSA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N(Cc1ccccc1)[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001573414245 948092150 /nfs/dbraw/zinc/09/21/50/948092150.db2.gz JHKBVUJEVLKYLL-QZTJIDSGSA-N -1 3 379.424 0.860 20 0 GCADHM CC(=O)N(Cc1ccccc1)[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001573414245 948092158 /nfs/dbraw/zinc/09/21/58/948092158.db2.gz JHKBVUJEVLKYLL-QZTJIDSGSA-N -1 3 379.424 0.860 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573667161 948097214 /nfs/dbraw/zinc/09/72/14/948097214.db2.gz YMPFKCGFAPCTIH-JSGCOSHPSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573667161 948097220 /nfs/dbraw/zinc/09/72/20/948097220.db2.gz YMPFKCGFAPCTIH-JSGCOSHPSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573414814 948099135 /nfs/dbraw/zinc/09/91/35/948099135.db2.gz QFBNIGBZCKTFMN-PELKAZGASA-N -1 3 390.473 0.369 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573414818 948099264 /nfs/dbraw/zinc/09/92/64/948099264.db2.gz QFBNIGBZCKTFMN-QPUJVOFHSA-N -1 3 390.473 0.369 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001573415105 948101348 /nfs/dbraw/zinc/10/13/48/948101348.db2.gz SFRNQKKBIFBERP-ZDUSSCGKSA-N -1 3 384.444 0.309 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001573415105 948101353 /nfs/dbraw/zinc/10/13/53/948101353.db2.gz SFRNQKKBIFBERP-ZDUSSCGKSA-N -1 3 384.444 0.309 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H]2CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573415142 948101526 /nfs/dbraw/zinc/10/15/26/948101526.db2.gz UHUZZTHGPGYIPM-ZDUSSCGKSA-N -1 3 387.419 0.887 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H]2CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573415142 948101533 /nfs/dbraw/zinc/10/15/33/948101533.db2.gz UHUZZTHGPGYIPM-ZDUSSCGKSA-N -1 3 387.419 0.887 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)n1cncn1 ZINC001573670741 948103574 /nfs/dbraw/zinc/10/35/74/948103574.db2.gz DCWQMEBGXWELBB-FZMZJTMJSA-N -1 3 385.407 0.549 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](N(C)c3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573415168 948103929 /nfs/dbraw/zinc/10/39/29/948103929.db2.gz VOCCIDODTWRROV-GFCCVEGCSA-N -1 3 390.473 0.147 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573415260 948105102 /nfs/dbraw/zinc/10/51/02/948105102.db2.gz QMJDYZXBPOTECD-ZDUSSCGKSA-N -1 3 387.419 0.521 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573415260 948105106 /nfs/dbraw/zinc/10/51/06/948105106.db2.gz QMJDYZXBPOTECD-ZDUSSCGKSA-N -1 3 387.419 0.521 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3nc(C)ccc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573415307 948105806 /nfs/dbraw/zinc/10/58/06/948105806.db2.gz WYGWXXSQRSRYAF-RISCZKNCSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3nc(C)ccc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001573415307 948105809 /nfs/dbraw/zinc/10/58/09/948105809.db2.gz WYGWXXSQRSRYAF-RISCZKNCSA-N -1 3 384.444 0.450 20 0 GCADHM Cn1c(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)nnc1C1CCC1 ZINC000826355208 948105924 /nfs/dbraw/zinc/10/59/24/948105924.db2.gz OTALAXLOLZRFHF-UHFFFAOYSA-N -1 3 380.460 0.980 20 0 GCADHM Cn1c(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)nnc1C1CCC1 ZINC000826355208 948105933 /nfs/dbraw/zinc/10/59/33/948105933.db2.gz OTALAXLOLZRFHF-UHFFFAOYSA-N -1 3 380.460 0.980 20 0 GCADHM Cn1c(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nnc1C1CCC1 ZINC000826354911 948106542 /nfs/dbraw/zinc/10/65/42/948106542.db2.gz AULCINVDUCNBJS-UHFFFAOYSA-N -1 3 380.460 0.980 20 0 GCADHM Cn1c(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nnc1C1CCC1 ZINC000826354911 948106545 /nfs/dbraw/zinc/10/65/45/948106545.db2.gz AULCINVDUCNBJS-UHFFFAOYSA-N -1 3 380.460 0.980 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C(C)(C)C2)C1 ZINC001573415332 948106977 /nfs/dbraw/zinc/10/69/77/948106977.db2.gz XNDCISMOICFFSL-CQSZACIVSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C(C)(C)C2)C1 ZINC001573415332 948106982 /nfs/dbraw/zinc/10/69/82/948106982.db2.gz XNDCISMOICFFSL-CQSZACIVSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573415392 948107876 /nfs/dbraw/zinc/10/78/76/948107876.db2.gz ZBUPEMSOWWKRGS-CYBMUJFWSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573415392 948107880 /nfs/dbraw/zinc/10/78/80/948107880.db2.gz ZBUPEMSOWWKRGS-CYBMUJFWSA-N -1 3 384.444 0.391 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573673386 948113666 /nfs/dbraw/zinc/11/36/66/948113666.db2.gz KVJISDCBZQKZGN-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573673386 948113670 /nfs/dbraw/zinc/11/36/70/948113670.db2.gz KVJISDCBZQKZGN-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573418138 948113779 /nfs/dbraw/zinc/11/37/79/948113779.db2.gz CXWMCCATJSXOQN-IRXDYDNUSA-N -1 3 381.440 0.130 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)n1cncn1 ZINC001573674602 948118985 /nfs/dbraw/zinc/11/89/85/948118985.db2.gz OIVUDASBTLUHKV-JTQLQIEISA-N -1 3 386.395 0.339 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)n1cncn1 ZINC001573674602 948118991 /nfs/dbraw/zinc/11/89/91/948118991.db2.gz OIVUDASBTLUHKV-JTQLQIEISA-N -1 3 386.395 0.339 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)CCCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573418984 948119279 /nfs/dbraw/zinc/11/92/79/948119279.db2.gz IMORUSMZARFXAF-LLVKDONJSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)CCCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573418984 948119285 /nfs/dbraw/zinc/11/92/85/948119285.db2.gz IMORUSMZARFXAF-LLVKDONJSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C2CC2)C1 ZINC001573418943 948120040 /nfs/dbraw/zinc/12/00/40/948120040.db2.gz IASLSGDMDMBPCS-CQSZACIVSA-N -1 3 388.407 0.186 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C2CC2)C1 ZINC001573418943 948120043 /nfs/dbraw/zinc/12/00/43/948120043.db2.gz IASLSGDMDMBPCS-CQSZACIVSA-N -1 3 388.407 0.186 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573419481 948122689 /nfs/dbraw/zinc/12/26/89/948122689.db2.gz MTQNHIZKBKMFIV-NEPJUHHUSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573419481 948122696 /nfs/dbraw/zinc/12/26/96/948122696.db2.gz MTQNHIZKBKMFIV-NEPJUHHUSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573419485 948123427 /nfs/dbraw/zinc/12/34/27/948123427.db2.gz MTQNHIZKBKMFIV-RYUDHWBXSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573419485 948123436 /nfs/dbraw/zinc/12/34/36/948123436.db2.gz MTQNHIZKBKMFIV-RYUDHWBXSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573419682 948124913 /nfs/dbraw/zinc/12/49/13/948124913.db2.gz PEAQOEVICHSNAU-MRVPVSSYSA-N -1 3 378.824 0.310 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573419682 948124920 /nfs/dbraw/zinc/12/49/20/948124920.db2.gz PEAQOEVICHSNAU-MRVPVSSYSA-N -1 3 378.824 0.310 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C)N(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573419609 948124989 /nfs/dbraw/zinc/12/49/89/948124989.db2.gz NNARWTDHGAEVST-SMDDNHRTSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C)N(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573419609 948124995 /nfs/dbraw/zinc/12/49/95/948124995.db2.gz NNARWTDHGAEVST-SMDDNHRTSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573419664 948125604 /nfs/dbraw/zinc/12/56/04/948125604.db2.gz OUNPPWUKLFGFIJ-NHYWBVRUSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573419664 948125610 /nfs/dbraw/zinc/12/56/10/948125610.db2.gz OUNPPWUKLFGFIJ-NHYWBVRUSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573419632 948125796 /nfs/dbraw/zinc/12/57/96/948125796.db2.gz NWIUPYQYFKCHJR-RKDXNWHRSA-N -1 3 392.489 0.805 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573419702 948126693 /nfs/dbraw/zinc/12/66/93/948126693.db2.gz PVFXUQNJIVIHEA-TZMCWYRMSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573419702 948126706 /nfs/dbraw/zinc/12/67/06/948126706.db2.gz PVFXUQNJIVIHEA-TZMCWYRMSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)[C@@H](C)C2)C1 ZINC001573419751 948127130 /nfs/dbraw/zinc/12/71/30/948127130.db2.gz QYDJSPXGFAUYFT-SMDDNHRTSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)[C@@H](C)C2)C1 ZINC001573419751 948127134 /nfs/dbraw/zinc/12/71/34/948127134.db2.gz QYDJSPXGFAUYFT-SMDDNHRTSA-N -1 3 384.444 0.214 20 0 GCADHM Cn1cc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nn1 ZINC000826360995 948128092 /nfs/dbraw/zinc/12/80/92/948128092.db2.gz GFUHYEFGLQBANA-UHFFFAOYSA-N -1 3 395.305 0.269 20 0 GCADHM Cn1cc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nn1 ZINC000826360995 948128098 /nfs/dbraw/zinc/12/80/98/948128098.db2.gz GFUHYEFGLQBANA-UHFFFAOYSA-N -1 3 395.305 0.269 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573419853 948130766 /nfs/dbraw/zinc/13/07/66/948130766.db2.gz UJJIDWGMVIPECI-SWLSCSKDSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573419853 948130770 /nfs/dbraw/zinc/13/07/70/948130770.db2.gz UJJIDWGMVIPECI-SWLSCSKDSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573419852 948131051 /nfs/dbraw/zinc/13/10/51/948131051.db2.gz UJJIDWGMVIPECI-IUODEOHRSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573419852 948131060 /nfs/dbraw/zinc/13/10/60/948131060.db2.gz UJJIDWGMVIPECI-IUODEOHRSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573419954 948132842 /nfs/dbraw/zinc/13/28/42/948132842.db2.gz WOHBFHQIINWQRF-IUODEOHRSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573419954 948132847 /nfs/dbraw/zinc/13/28/47/948132847.db2.gz WOHBFHQIINWQRF-IUODEOHRSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573677349 948134833 /nfs/dbraw/zinc/13/48/33/948134833.db2.gz CQCVIYAFGSIJLD-CABZTGNLSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573677349 948134836 /nfs/dbraw/zinc/13/48/36/948134836.db2.gz CQCVIYAFGSIJLD-CABZTGNLSA-N -1 3 389.441 0.267 20 0 GCADHM Cn1ccc(CC(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826362693 948136566 /nfs/dbraw/zinc/13/65/66/948136566.db2.gz DOCGIAWFOARIAR-HNNXBMFYSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1ccc(CC(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826362693 948136571 /nfs/dbraw/zinc/13/65/71/948136571.db2.gz DOCGIAWFOARIAR-HNNXBMFYSA-N -1 3 381.396 0.882 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573420999 948136591 /nfs/dbraw/zinc/13/65/91/948136591.db2.gz BDVOGYXKDMFLTE-AWEZNQCLSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573420999 948136595 /nfs/dbraw/zinc/13/65/95/948136595.db2.gz BDVOGYXKDMFLTE-AWEZNQCLSA-N -1 3 384.444 0.133 20 0 GCADHM Cn1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826362669 948136657 /nfs/dbraw/zinc/13/66/57/948136657.db2.gz CQTIGNGHCMCMSZ-OAHLLOKOSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826362669 948136661 /nfs/dbraw/zinc/13/66/61/948136661.db2.gz CQTIGNGHCMCMSZ-OAHLLOKOSA-N -1 3 380.412 0.455 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CC(Nc3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573421666 948139419 /nfs/dbraw/zinc/13/94/19/948139419.db2.gz HSDYGIBLLQLJBY-UHFFFAOYSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CC(Nc3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573421666 948139429 /nfs/dbraw/zinc/13/94/29/948139429.db2.gz HSDYGIBLLQLJBY-UHFFFAOYSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CC(Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573422210 948139711 /nfs/dbraw/zinc/13/97/11/948139711.db2.gz IQCZEGMVFMTDPF-UHFFFAOYSA-N -1 3 390.473 0.417 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573423011 948141625 /nfs/dbraw/zinc/14/16/25/948141625.db2.gz LVTQNFHVAVTLST-UHFFFAOYSA-N -1 3 387.419 0.032 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001573423011 948141632 /nfs/dbraw/zinc/14/16/32/948141632.db2.gz LVTQNFHVAVTLST-UHFFFAOYSA-N -1 3 387.419 0.032 20 0 GCADHM Cn1cnc(-c2ccc(C(=O)NCCNc3ncccc3-c3nnn[n-]3)cc2)n1 ZINC000826364820 948141769 /nfs/dbraw/zinc/14/17/69/948141769.db2.gz MTMBQCIQAQMLRZ-UHFFFAOYSA-N -1 3 390.411 0.899 20 0 GCADHM Cn1cnc(-c2ccc(C(=O)NCCNc3ncccc3-c3nn[n-]n3)cc2)n1 ZINC000826364820 948141779 /nfs/dbraw/zinc/14/17/79/948141779.db2.gz MTMBQCIQAQMLRZ-UHFFFAOYSA-N -1 3 390.411 0.899 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573423089 948143734 /nfs/dbraw/zinc/14/37/34/948143734.db2.gz NRYAEVXNAXQCKR-VIFPVBQESA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573423089 948143742 /nfs/dbraw/zinc/14/37/42/948143742.db2.gz NRYAEVXNAXQCKR-VIFPVBQESA-N -1 3 376.396 0.186 20 0 GCADHM Cn1cnnc1-c1cncc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826365529 948144662 /nfs/dbraw/zinc/14/46/62/948144662.db2.gz RMLNLCSIFAVHQN-CQSZACIVSA-N -1 3 377.368 0.729 20 0 GCADHM Cn1cnnc1-c1cncc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826365529 948144668 /nfs/dbraw/zinc/14/46/68/948144668.db2.gz RMLNLCSIFAVHQN-CQSZACIVSA-N -1 3 377.368 0.729 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573677960 948145223 /nfs/dbraw/zinc/14/52/23/948145223.db2.gz ZJVNBWNPRWXZOE-VHSXEESVSA-N -1 3 382.421 0.134 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573677960 948145229 /nfs/dbraw/zinc/14/52/29/948145229.db2.gz ZJVNBWNPRWXZOE-VHSXEESVSA-N -1 3 382.421 0.134 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573423827 948145927 /nfs/dbraw/zinc/14/59/27/948145927.db2.gz PVIPTABGOFSQFA-ZDUSSCGKSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573423827 948145932 /nfs/dbraw/zinc/14/59/32/948145932.db2.gz PVIPTABGOFSQFA-ZDUSSCGKSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCCC2(CNc3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573424272 948149704 /nfs/dbraw/zinc/14/97/04/948149704.db2.gz WVWPMOUBJWFTGU-UHFFFAOYSA-N -1 3 384.444 0.438 20 0 GCADHM CC(=O)N1CC(C(=O)NCCC2(CNc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573424272 948149708 /nfs/dbraw/zinc/14/97/08/948149708.db2.gz WVWPMOUBJWFTGU-UHFFFAOYSA-N -1 3 384.444 0.438 20 0 GCADHM CC(=O)N1CC(C(=O)NCCCN(c2ccc(-c3nnn[n-]3)nc2)C(C)C)C1 ZINC001573424391 948151456 /nfs/dbraw/zinc/15/14/56/948151456.db2.gz ZRRYNHUJRRCZIS-UHFFFAOYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC(C(=O)NCCCN(c2ccc(-c3nn[n-]n3)nc2)C(C)C)C1 ZINC001573424391 948151463 /nfs/dbraw/zinc/15/14/63/948151463.db2.gz ZRRYNHUJRRCZIS-UHFFFAOYSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccc1 ZINC001573678424 948151707 /nfs/dbraw/zinc/15/17/07/948151707.db2.gz DRYSFNGDIBFWEF-IAQYHMDHSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccc1 ZINC001573678424 948151716 /nfs/dbraw/zinc/15/17/16/948151716.db2.gz DRYSFNGDIBFWEF-IAQYHMDHSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573426718 948160224 /nfs/dbraw/zinc/16/02/24/948160224.db2.gz PARKFQCVVRFOID-OAHLLOKOSA-N -1 3 387.419 0.175 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573679592 948163951 /nfs/dbraw/zinc/16/39/51/948163951.db2.gz LGFCFHQJZQVBTP-BMIGLBTASA-N -1 3 387.419 0.221 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573679592 948163954 /nfs/dbraw/zinc/16/39/54/948163954.db2.gz LGFCFHQJZQVBTP-BMIGLBTASA-N -1 3 387.419 0.221 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573429408 948171838 /nfs/dbraw/zinc/17/18/38/948171838.db2.gz IMQKFGLZNRPBPU-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573429408 948171843 /nfs/dbraw/zinc/17/18/43/948171843.db2.gz IMQKFGLZNRPBPU-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)CCNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573430513 948176016 /nfs/dbraw/zinc/17/60/16/948176016.db2.gz PKRXGSSQNNVXDS-UHFFFAOYSA-N -1 3 390.423 0.530 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)CCNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573430513 948176020 /nfs/dbraw/zinc/17/60/20/948176020.db2.gz PKRXGSSQNNVXDS-UHFFFAOYSA-N -1 3 390.423 0.530 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573680392 948178315 /nfs/dbraw/zinc/17/83/15/948178315.db2.gz NRRYPFOQIVAHLQ-CMPLNLGQSA-N -1 3 388.407 0.432 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573680392 948178323 /nfs/dbraw/zinc/17/83/23/948178323.db2.gz NRRYPFOQIVAHLQ-CMPLNLGQSA-N -1 3 388.407 0.432 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573431857 948181794 /nfs/dbraw/zinc/18/17/94/948181794.db2.gz AGUAYLUMISCDKE-INIZCTEOSA-N -1 3 392.489 0.443 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CC1 ZINC001573431685 948182774 /nfs/dbraw/zinc/18/27/74/948182774.db2.gz YEKVOZAJAVSLKP-CQSZACIVSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CC1 ZINC001573431685 948182782 /nfs/dbraw/zinc/18/27/82/948182782.db2.gz YEKVOZAJAVSLKP-CQSZACIVSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573432129 948185304 /nfs/dbraw/zinc/18/53/04/948185304.db2.gz FBAJGUJXLKHGKL-HBUWYVDXSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573432129 948185311 /nfs/dbraw/zinc/18/53/11/948185311.db2.gz FBAJGUJXLKHGKL-HBUWYVDXSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C)n1cncn1 ZINC001573680934 948191951 /nfs/dbraw/zinc/19/19/51/948191951.db2.gz SMPVTSANJCGLQJ-WCQYABFASA-N -1 3 382.432 0.445 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C)n1cncn1 ZINC001573680934 948191959 /nfs/dbraw/zinc/19/19/59/948191959.db2.gz SMPVTSANJCGLQJ-WCQYABFASA-N -1 3 382.432 0.445 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573680976 948192535 /nfs/dbraw/zinc/19/25/35/948192535.db2.gz UBAJRARAOIGPKZ-BMIGLBTASA-N -1 3 387.419 0.221 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573680976 948192544 /nfs/dbraw/zinc/19/25/44/948192544.db2.gz UBAJRARAOIGPKZ-BMIGLBTASA-N -1 3 387.419 0.221 20 0 GCADHM NC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CCC1 ZINC000826389791 948197711 /nfs/dbraw/zinc/19/77/11/948197711.db2.gz INKHZXYHUJJGMW-UHFFFAOYSA-N -1 3 390.347 0.572 20 0 GCADHM NC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCC1 ZINC000826389791 948197713 /nfs/dbraw/zinc/19/77/13/948197713.db2.gz INKHZXYHUJJGMW-UHFFFAOYSA-N -1 3 390.347 0.572 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573681236 948200143 /nfs/dbraw/zinc/20/01/43/948200143.db2.gz VTJUCARPNSLWRU-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573681236 948200146 /nfs/dbraw/zinc/20/01/46/948200146.db2.gz VTJUCARPNSLWRU-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM NC(=O)Nc1ccc(C(=O)COC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826392811 948200274 /nfs/dbraw/zinc/20/02/74/948200274.db2.gz NZGUZMVWCDJCBP-OAHLLOKOSA-N -1 3 396.363 0.817 20 0 GCADHM NC(=O)Nc1ccc(C(=O)COC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826392811 948200285 /nfs/dbraw/zinc/20/02/85/948200285.db2.gz NZGUZMVWCDJCBP-OAHLLOKOSA-N -1 3 396.363 0.817 20 0 GCADHM NC(=O)c1ccc(N2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)cc1 ZINC000826393414 948200535 /nfs/dbraw/zinc/20/05/35/948200535.db2.gz QZADOLUYSABNBP-UHFFFAOYSA-N -1 3 389.423 0.940 20 0 GCADHM NC(=O)c1ccc(N2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)cc1 ZINC000826393414 948200543 /nfs/dbraw/zinc/20/05/43/948200543.db2.gz QZADOLUYSABNBP-UHFFFAOYSA-N -1 3 389.423 0.940 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826392760 948200629 /nfs/dbraw/zinc/20/06/29/948200629.db2.gz MEGUUHONHQQWAU-CQSZACIVSA-N -1 3 395.379 0.646 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826392760 948200638 /nfs/dbraw/zinc/20/06/38/948200638.db2.gz MEGUUHONHQQWAU-CQSZACIVSA-N -1 3 395.379 0.646 20 0 GCADHM NC(=O)c1nccnc1C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826393818 948204189 /nfs/dbraw/zinc/20/41/89/948204189.db2.gz KUDASCFHVQMVLC-UHFFFAOYSA-N -1 3 390.367 0.076 20 0 GCADHM NC(=O)c1nccnc1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826393818 948204196 /nfs/dbraw/zinc/20/41/96/948204196.db2.gz KUDASCFHVQMVLC-UHFFFAOYSA-N -1 3 390.367 0.076 20 0 GCADHM NS(=O)(=O)Cc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826394366 948204484 /nfs/dbraw/zinc/20/44/84/948204484.db2.gz HOOOEJZIYAFCJZ-AWEZNQCLSA-N -1 3 388.409 0.327 20 0 GCADHM NS(=O)(=O)Cc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826394366 948204499 /nfs/dbraw/zinc/20/44/99/948204499.db2.gz HOOOEJZIYAFCJZ-AWEZNQCLSA-N -1 3 388.409 0.327 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC2CCC(CO)CC2)cc1 ZINC000826395378 948205575 /nfs/dbraw/zinc/20/55/75/948205575.db2.gz YJSJOBJGOIYMFI-UHFFFAOYSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC2CCC(CO)CC2)cc1 ZINC000826395378 948205581 /nfs/dbraw/zinc/20/55/81/948205581.db2.gz YJSJOBJGOIYMFI-UHFFFAOYSA-N -1 3 382.428 0.916 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)c1cccnc1 ZINC001573681746 948212435 /nfs/dbraw/zinc/21/24/35/948212435.db2.gz XKEMZVCIXOTLRB-GWCFXTLKSA-N -1 3 386.391 0.489 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)c1cccnc1 ZINC001573681746 948212448 /nfs/dbraw/zinc/21/24/48/948212448.db2.gz XKEMZVCIXOTLRB-GWCFXTLKSA-N -1 3 386.391 0.489 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573434683 948216675 /nfs/dbraw/zinc/21/66/75/948216675.db2.gz SHSQESRAOSYSEW-VOJFVSQTSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573434683 948216688 /nfs/dbraw/zinc/21/66/88/948216688.db2.gz SHSQESRAOSYSEW-VOJFVSQTSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)CCNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573434989 948224287 /nfs/dbraw/zinc/22/42/87/948224287.db2.gz UMTBASHJEMSQHT-INIZCTEOSA-N -1 3 392.489 0.760 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573690571 948224991 /nfs/dbraw/zinc/22/49/91/948224991.db2.gz DPWOREMXBRUOCQ-SKDRFNHKSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573690571 948224999 /nfs/dbraw/zinc/22/49/99/948224999.db2.gz DPWOREMXBRUOCQ-SKDRFNHKSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1)C1CC1 ZINC001573690311 948225415 /nfs/dbraw/zinc/22/54/15/948225415.db2.gz CVEIPNTWWAGQRG-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1)C1CC1 ZINC001573690311 948225422 /nfs/dbraw/zinc/22/54/22/948225422.db2.gz CVEIPNTWWAGQRG-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM CC(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573435124 948226387 /nfs/dbraw/zinc/22/63/87/948226387.db2.gz ZOOCCFJXOBWRKU-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573435124 948226395 /nfs/dbraw/zinc/22/63/95/948226395.db2.gz ZOOCCFJXOBWRKU-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573435394 948228213 /nfs/dbraw/zinc/22/82/13/948228213.db2.gz WNHNFHCBYNSSKF-QGZVFWFLSA-N -1 3 389.485 0.487 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573435672 948232492 /nfs/dbraw/zinc/23/24/92/948232492.db2.gz ZALIQSUAWLURHN-KZULUSFZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573435672 948232502 /nfs/dbraw/zinc/23/25/02/948232502.db2.gz ZALIQSUAWLURHN-KZULUSFZSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1)n1cncn1 ZINC001573691436 948240509 /nfs/dbraw/zinc/24/05/09/948240509.db2.gz GZFGXKJVUAKEHU-VIFPVBQESA-N -1 3 388.823 0.829 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1)n1cncn1 ZINC001573691436 948240518 /nfs/dbraw/zinc/24/05/18/948240518.db2.gz GZFGXKJVUAKEHU-VIFPVBQESA-N -1 3 388.823 0.829 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccs1 ZINC001573691751 948246076 /nfs/dbraw/zinc/24/60/76/948246076.db2.gz JQVDOFTVPMQBJG-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccs1 ZINC001573691751 948246085 /nfs/dbraw/zinc/24/60/85/948246085.db2.gz JQVDOFTVPMQBJG-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM O=C(CNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)N1CCOCC1 ZINC000826412017 948248650 /nfs/dbraw/zinc/24/86/50/948248650.db2.gz YGPRGDKEWLDHQJ-UHFFFAOYSA-N -1 3 397.439 0.524 20 0 GCADHM O=C(CNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)N1CCOCC1 ZINC000826412017 948248661 /nfs/dbraw/zinc/24/86/61/948248661.db2.gz YGPRGDKEWLDHQJ-UHFFFAOYSA-N -1 3 397.439 0.524 20 0 GCADHM O=C(CNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)N1CCCCC1 ZINC000826411622 948249508 /nfs/dbraw/zinc/24/95/08/948249508.db2.gz GNUDZDPGSJXVLA-INIZCTEOSA-N -1 3 399.455 0.962 20 0 GCADHM O=C(CNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)N1CCCCC1 ZINC000826411622 948249515 /nfs/dbraw/zinc/24/95/15/948249515.db2.gz GNUDZDPGSJXVLA-INIZCTEOSA-N -1 3 399.455 0.962 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573439878 948257256 /nfs/dbraw/zinc/25/72/56/948257256.db2.gz VIJBYCQSKZKUQU-SWLSCSKDSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573439878 948257263 /nfs/dbraw/zinc/25/72/63/948257263.db2.gz VIJBYCQSKZKUQU-SWLSCSKDSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]3COC[C@@H]32)CC1 ZINC001573440026 948258179 /nfs/dbraw/zinc/25/81/79/948258179.db2.gz YOVPTWWAKGQWFE-DZGCQCFKSA-N -1 3 385.428 0.294 20 0 GCADHM CC(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]3COC[C@@H]32)CC1 ZINC001573440026 948258190 /nfs/dbraw/zinc/25/81/90/948258190.db2.gz YOVPTWWAKGQWFE-DZGCQCFKSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1)[C@H]1CCC(=O)N1 ZINC001573693011 948275312 /nfs/dbraw/zinc/27/53/12/948275312.db2.gz UOIKQFJULQIBRL-JOYOIKCWSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1)[C@H]1CCC(=O)N1 ZINC001573693011 948275317 /nfs/dbraw/zinc/27/53/17/948275317.db2.gz UOIKQFJULQIBRL-JOYOIKCWSA-N -1 3 388.407 0.376 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573441960 948281565 /nfs/dbraw/zinc/28/15/65/948281565.db2.gz DFHBNFQFXXOFLW-AWEZNQCLSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573441960 948281574 /nfs/dbraw/zinc/28/15/74/948281574.db2.gz DFHBNFQFXXOFLW-AWEZNQCLSA-N -1 3 386.460 0.747 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cccc1 ZINC001573693832 948288594 /nfs/dbraw/zinc/28/85/94/948288594.db2.gz UJIKYZFWLXRCRI-JQWIXIFHSA-N -1 3 390.835 0.867 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cccc1 ZINC001573693832 948288603 /nfs/dbraw/zinc/28/86/03/948288603.db2.gz UJIKYZFWLXRCRI-JQWIXIFHSA-N -1 3 390.835 0.867 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cccc1 ZINC001573693833 948289195 /nfs/dbraw/zinc/28/91/95/948289195.db2.gz UJIKYZFWLXRCRI-PWSUYJOCSA-N -1 3 390.835 0.867 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cccc1 ZINC001573693833 948289204 /nfs/dbraw/zinc/28/92/04/948289204.db2.gz UJIKYZFWLXRCRI-PWSUYJOCSA-N -1 3 390.835 0.867 20 0 GCADHM O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826435531 948289561 /nfs/dbraw/zinc/28/95/61/948289561.db2.gz QJXUMIZAYHLZBK-AWEZNQCLSA-N -1 3 386.412 0.997 20 0 GCADHM O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826435531 948289570 /nfs/dbraw/zinc/28/95/70/948289570.db2.gz QJXUMIZAYHLZBK-AWEZNQCLSA-N -1 3 386.412 0.997 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442353 948291307 /nfs/dbraw/zinc/29/13/07/948291307.db2.gz HCCDUDMCVDQPLB-WFASDCNBSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442353 948291317 /nfs/dbraw/zinc/29/13/17/948291317.db2.gz HCCDUDMCVDQPLB-WFASDCNBSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001573694284 948291623 /nfs/dbraw/zinc/29/16/23/948291623.db2.gz CDEFIYWJXLAPSM-NGFQHRJXSA-N -1 3 379.428 0.518 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001573694284 948291633 /nfs/dbraw/zinc/29/16/33/948291633.db2.gz CDEFIYWJXLAPSM-NGFQHRJXSA-N -1 3 379.428 0.518 20 0 GCADHM O=C(NCCCO)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826436696 948291963 /nfs/dbraw/zinc/29/19/63/948291963.db2.gz DSXJHQHCJJVSHF-UHFFFAOYSA-N -1 3 390.791 0.143 20 0 GCADHM O=C(NCCCO)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826436696 948291974 /nfs/dbraw/zinc/29/19/74/948291974.db2.gz DSXJHQHCJJVSHF-UHFFFAOYSA-N -1 3 390.791 0.143 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cccnc1 ZINC001573694446 948293441 /nfs/dbraw/zinc/29/34/41/948293441.db2.gz VRRBLUOPUFZMDU-NSHDSACASA-N -1 3 380.412 0.772 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cccnc1 ZINC001573694446 948293450 /nfs/dbraw/zinc/29/34/50/948293450.db2.gz VRRBLUOPUFZMDU-NSHDSACASA-N -1 3 380.412 0.772 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573694331 948293896 /nfs/dbraw/zinc/29/38/96/948293896.db2.gz COLWMQKLNKSJQP-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573694331 948293905 /nfs/dbraw/zinc/29/39/05/948293905.db2.gz COLWMQKLNKSJQP-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442693 948297755 /nfs/dbraw/zinc/29/77/55/948297755.db2.gz KBAWHJKKOQRKHX-DOMZBBRYSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442693 948297762 /nfs/dbraw/zinc/29/77/62/948297762.db2.gz KBAWHJKKOQRKHX-DOMZBBRYSA-N -1 3 386.460 0.684 20 0 GCADHM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573694698 948298507 /nfs/dbraw/zinc/29/85/07/948298507.db2.gz CZQURYNLYZXWMY-BMQDGWLCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573694698 948298517 /nfs/dbraw/zinc/29/85/17/948298517.db2.gz CZQURYNLYZXWMY-BMQDGWLCSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573443401 948304779 /nfs/dbraw/zinc/30/47/79/948304779.db2.gz NJIWNOVRIOLZFT-BXUZGUMPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573443401 948304786 /nfs/dbraw/zinc/30/47/86/948304786.db2.gz NJIWNOVRIOLZFT-BXUZGUMPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573443808 948307826 /nfs/dbraw/zinc/30/78/26/948307826.db2.gz PROVWDZBBXPFKF-BXKDBHETSA-N -1 3 392.489 0.807 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573695627 948308886 /nfs/dbraw/zinc/30/88/86/948308886.db2.gz HQYZFHSAXXAWGW-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573695627 948308894 /nfs/dbraw/zinc/30/88/94/948308894.db2.gz HQYZFHSAXXAWGW-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573695828 948312302 /nfs/dbraw/zinc/31/23/02/948312302.db2.gz IYYALROXOCNXSG-OTYXRUKQSA-N -1 3 385.350 0.518 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573695828 948312312 /nfs/dbraw/zinc/31/23/12/948312312.db2.gz IYYALROXOCNXSG-OTYXRUKQSA-N -1 3 385.350 0.518 20 0 GCADHM CC(=O)N1CCC[C@@H](N2CCN(c3snc(C)c3-c3nnn[n-]3)CC2=O)C1 ZINC001573444658 948316663 /nfs/dbraw/zinc/31/66/63/948316663.db2.gz VFHJUSNFPQXYFB-GFCCVEGCSA-N -1 3 390.473 0.291 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573444832 948316778 /nfs/dbraw/zinc/31/67/78/948316778.db2.gz WFLBKFVZEBUJNA-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573444832 948316784 /nfs/dbraw/zinc/31/67/84/948316784.db2.gz WFLBKFVZEBUJNA-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccn1 ZINC001573696222 948319857 /nfs/dbraw/zinc/31/98/57/948319857.db2.gz MGJRDLCRMZDLIZ-LLVKDONJSA-N -1 3 388.457 0.049 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573445087 948321324 /nfs/dbraw/zinc/32/13/24/948321324.db2.gz YCDYSNTUHNMGIX-CYBMUJFWSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573445087 948321332 /nfs/dbraw/zinc/32/13/32/948321332.db2.gz YCDYSNTUHNMGIX-CYBMUJFWSA-N -1 3 389.435 0.817 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1ccco1 ZINC001573696278 948321423 /nfs/dbraw/zinc/32/14/23/948321423.db2.gz NEUBYKLWCWZBNL-SGTLLEGYSA-N -1 3 383.412 0.716 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1ccco1 ZINC001573696278 948321434 /nfs/dbraw/zinc/32/14/34/948321434.db2.gz NEUBYKLWCWZBNL-SGTLLEGYSA-N -1 3 383.412 0.716 20 0 GCADHM C[C@H](C(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001573696281 948321574 /nfs/dbraw/zinc/32/15/74/948321574.db2.gz NFLPPAMRNLAZOQ-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001573696281 948321585 /nfs/dbraw/zinc/32/15/85/948321585.db2.gz NFLPPAMRNLAZOQ-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573445230 948321878 /nfs/dbraw/zinc/32/18/78/948321878.db2.gz YWGDXKUDQPKQBN-TZMCWYRMSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573445230 948321886 /nfs/dbraw/zinc/32/18/86/948321886.db2.gz YWGDXKUDQPKQBN-TZMCWYRMSA-N -1 3 386.460 0.745 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000826452833 948322864 /nfs/dbraw/zinc/32/28/64/948322864.db2.gz KRHUZRSNSVKQCD-BBRMVZONSA-N -1 3 392.441 0.725 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000826452833 948322871 /nfs/dbraw/zinc/32/28/71/948322871.db2.gz KRHUZRSNSVKQCD-BBRMVZONSA-N -1 3 392.441 0.725 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000826452836 948323143 /nfs/dbraw/zinc/32/31/43/948323143.db2.gz 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GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573705037 948390030 /nfs/dbraw/zinc/39/00/30/948390030.db2.gz FQQWEPIMJFZJTD-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573705037 948390037 /nfs/dbraw/zinc/39/00/37/948390037.db2.gz FQQWEPIMJFZJTD-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@H]1CCC(=O)NC1=O ZINC000826479877 948391438 /nfs/dbraw/zinc/39/14/38/948391438.db2.gz LBKJCFWRVQLJAU-VIFPVBQESA-N -1 3 383.290 0.812 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@H]1CCC(=O)NC1=O ZINC000826479877 948391450 /nfs/dbraw/zinc/39/14/50/948391450.db2.gz LBKJCFWRVQLJAU-VIFPVBQESA-N -1 3 383.290 0.812 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573705157 948393466 /nfs/dbraw/zinc/39/34/66/948393466.db2.gz GCTXOGDICDBEAK-SMDDNHRTSA-N -1 3 385.407 0.549 20 0 GCADHM 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ZINC000826494368 948408212 /nfs/dbraw/zinc/40/82/12/948408212.db2.gz ZHYIASGDWRASND-GFCCVEGCSA-N -1 3 398.876 0.615 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573705997 948411116 /nfs/dbraw/zinc/41/11/16/948411116.db2.gz HYPVENXZXXBDQC-JSGCOSHPSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573705997 948411121 /nfs/dbraw/zinc/41/11/21/948411121.db2.gz HYPVENXZXXBDQC-JSGCOSHPSA-N -1 3 383.412 0.980 20 0 GCADHM O=S1(=O)CCCN1CCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826497086 948411321 /nfs/dbraw/zinc/41/13/21/948411321.db2.gz UIBUFVMWQICJMX-HNNXBMFYSA-N -1 3 378.458 0.276 20 0 GCADHM O=S1(=O)CCCN1CCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826497086 948411327 /nfs/dbraw/zinc/41/13/27/948411327.db2.gz UIBUFVMWQICJMX-HNNXBMFYSA-N -1 3 378.458 0.276 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573706058 948411455 /nfs/dbraw/zinc/41/14/55/948411455.db2.gz JLLSLERRVGNEMS-YPMHNXCESA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573706058 948411458 /nfs/dbraw/zinc/41/14/58/948411458.db2.gz JLLSLERRVGNEMS-YPMHNXCESA-N -1 3 380.412 0.724 20 0 GCADHM O=c1cc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)[nH]c2ccnn21 ZINC000826501717 948417776 /nfs/dbraw/zinc/41/77/76/948417776.db2.gz DMKYBPHTOVZGHU-OAHLLOKOSA-N -1 3 378.396 0.776 20 0 GCADHM O=c1cc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)[nH]c2ccnn21 ZINC000826501717 948417781 /nfs/dbraw/zinc/41/77/81/948417781.db2.gz DMKYBPHTOVZGHU-OAHLLOKOSA-N -1 3 378.396 0.776 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573706610 948421090 /nfs/dbraw/zinc/42/10/90/948421090.db2.gz JQESBGQCKACSOF-GXTWGEPZSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573706610 948421094 /nfs/dbraw/zinc/42/10/94/948421094.db2.gz JQESBGQCKACSOF-GXTWGEPZSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573706643 948422207 /nfs/dbraw/zinc/42/22/07/948422207.db2.gz JZJXSKFLLYTQBI-ONGXEEELSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573706643 948422211 /nfs/dbraw/zinc/42/22/11/948422211.db2.gz JZJXSKFLLYTQBI-ONGXEEELSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C1CCC1 ZINC001573706794 948424019 /nfs/dbraw/zinc/42/40/19/948424019.db2.gz MAPNKTGWLNITNT-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C1CCC1 ZINC001573706794 948424023 /nfs/dbraw/zinc/42/40/23/948424023.db2.gz MAPNKTGWLNITNT-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C(C)(C)C ZINC001573706759 948424772 /nfs/dbraw/zinc/42/47/72/948424772.db2.gz LUVZXSDHLDTRTC-WCQYABFASA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C(C)(C)C ZINC001573706759 948424777 /nfs/dbraw/zinc/42/47/77/948424777.db2.gz LUVZXSDHLDTRTC-WCQYABFASA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573707201 948429488 /nfs/dbraw/zinc/42/94/88/948429488.db2.gz NBVJJZMZTHCTEH-DLGQBQFBSA-N -1 3 387.444 0.660 20 0 GCADHM C[C@H](C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573707201 948429494 /nfs/dbraw/zinc/42/94/94/948429494.db2.gz NBVJJZMZTHCTEH-DLGQBQFBSA-N -1 3 387.444 0.660 20 0 GCADHM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573707220 948430248 /nfs/dbraw/zinc/43/02/48/948430248.db2.gz NEEYFWGNLOVICW-GFCCVEGCSA-N -1 3 382.432 0.813 20 0 GCADHM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573707220 948430260 /nfs/dbraw/zinc/43/02/60/948430260.db2.gz NEEYFWGNLOVICW-GFCCVEGCSA-N -1 3 382.432 0.813 20 0 GCADHM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)n1cncn1 ZINC001573707284 948431361 /nfs/dbraw/zinc/43/13/61/948431361.db2.gz OSMQIKOACJWASF-GFCCVEGCSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)n1cncn1 ZINC001573707284 948431366 /nfs/dbraw/zinc/43/13/66/948431366.db2.gz OSMQIKOACJWASF-GFCCVEGCSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573707461 948433165 /nfs/dbraw/zinc/43/31/65/948433165.db2.gz PBWOBZHKLBWVSE-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573707461 948433169 /nfs/dbraw/zinc/43/31/69/948433169.db2.gz PBWOBZHKLBWVSE-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)C(F)(F)F ZINC001573707582 948437695 /nfs/dbraw/zinc/43/76/95/948437695.db2.gz OOCIUWABOQIZQL-ONGXEEELSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)C(F)(F)F ZINC001573707582 948437701 /nfs/dbraw/zinc/43/77/01/948437701.db2.gz OOCIUWABOQIZQL-ONGXEEELSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001573708275 948446987 /nfs/dbraw/zinc/44/69/87/948446987.db2.gz SOMFXEXFLCWDKH-MFKMUULPSA-N -1 3 389.485 0.391 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)C(F)(F)F ZINC001573708315 948448147 /nfs/dbraw/zinc/44/81/47/948448147.db2.gz UCHOGLWPDVCKFN-MWLCHTKSSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)C(F)(F)F ZINC001573708315 948448151 /nfs/dbraw/zinc/44/81/51/948448151.db2.gz UCHOGLWPDVCKFN-MWLCHTKSSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)C(C)(F)F ZINC001573708516 948451903 /nfs/dbraw/zinc/45/19/03/948451903.db2.gz WBECHUGSPHUWSU-JQWIXIFHSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)C(C)(F)F ZINC001573708516 948451906 /nfs/dbraw/zinc/45/19/06/948451906.db2.gz WBECHUGSPHUWSU-JQWIXIFHSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573708785 948459393 /nfs/dbraw/zinc/45/93/93/948459393.db2.gz XTESGOXQBGKYDB-QWHCGFSZSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573708785 948459401 /nfs/dbraw/zinc/45/94/01/948459401.db2.gz XTESGOXQBGKYDB-QWHCGFSZSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573708824 948460103 /nfs/dbraw/zinc/46/01/03/948460103.db2.gz YCJUOXCGKXJNJJ-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573708824 948460106 /nfs/dbraw/zinc/46/01/06/948460106.db2.gz YCJUOXCGKXJNJJ-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573708999 948463392 /nfs/dbraw/zinc/46/33/92/948463392.db2.gz YWNGCDVFTODXHV-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573708999 948463394 /nfs/dbraw/zinc/46/33/94/948463394.db2.gz YWNGCDVFTODXHV-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573714495 948472731 /nfs/dbraw/zinc/47/27/31/948472731.db2.gz HHOOVORCVAEDQD-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573714495 948472736 /nfs/dbraw/zinc/47/27/36/948472736.db2.gz HHOOVORCVAEDQD-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001144248291 948481534 /nfs/dbraw/zinc/48/15/34/948481534.db2.gz HGJUIEWYFWNUFV-UHFFFAOYSA-N -1 3 388.428 0.579 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001144248291 948481537 /nfs/dbraw/zinc/48/15/37/948481537.db2.gz HGJUIEWYFWNUFV-UHFFFAOYSA-N -1 3 388.428 0.579 20 0 GCADHM C[C@@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCC(=O)N1 ZINC001573715179 948483743 /nfs/dbraw/zinc/48/37/43/948483743.db2.gz QGUCWLCIXZSMDH-ZYHUDNBSSA-N -1 3 377.474 0.391 20 0 GCADHM C[C@@H](C(=O)NCC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573716935 948503435 /nfs/dbraw/zinc/50/34/35/948503435.db2.gz KIWJOMGPGDSFFK-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)NCC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573716935 948503442 /nfs/dbraw/zinc/50/34/42/948503442.db2.gz KIWJOMGPGDSFFK-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573717480 948508800 /nfs/dbraw/zinc/50/88/00/948508800.db2.gz CWULUBBRVKAUPM-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@@H](C(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573717480 948508804 /nfs/dbraw/zinc/50/88/04/948508804.db2.gz CWULUBBRVKAUPM-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)C1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573719345 948525001 /nfs/dbraw/zinc/52/50/01/948525001.db2.gz VLWDVSMFRDMZRE-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)C1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573719345 948525007 /nfs/dbraw/zinc/52/50/07/948525007.db2.gz VLWDVSMFRDMZRE-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](C(=O)NCCN1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573719709 948528384 /nfs/dbraw/zinc/52/83/84/948528384.db2.gz NYLNHYLKNXTDJG-GFCCVEGCSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@@H](C(=O)NCCN1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573719709 948528392 /nfs/dbraw/zinc/52/83/92/948528392.db2.gz NYLNHYLKNXTDJG-GFCCVEGCSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001464423125 948530588 /nfs/dbraw/zinc/53/05/88/948530588.db2.gz ZBILUILRGVRQAL-MRVPVSSYSA-N -1 3 382.837 0.558 20 0 GCADHM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001464423125 948530595 /nfs/dbraw/zinc/53/05/95/948530595.db2.gz ZBILUILRGVRQAL-MRVPVSSYSA-N -1 3 382.837 0.558 20 0 GCADHM C[C@H](C(=O)NCCN(c1ncc(-c2nnn[n-]2)cc1F)C1CC1)n1cccn1 ZINC001573720630 948533807 /nfs/dbraw/zinc/53/38/07/948533807.db2.gz QYOWAEQKPHNDEF-LLVKDONJSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NCCN(c1ncc(-c2nn[n-]n2)cc1F)C1CC1)n1cccn1 ZINC001573720630 948533810 /nfs/dbraw/zinc/53/38/10/948533810.db2.gz QYOWAEQKPHNDEF-LLVKDONJSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573720714 948534242 /nfs/dbraw/zinc/53/42/42/948534242.db2.gz SERQGVZRRBHSDW-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573720714 948534248 /nfs/dbraw/zinc/53/42/48/948534248.db2.gz SERQGVZRRBHSDW-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM C[C@H](C(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573720693 948534573 /nfs/dbraw/zinc/53/45/73/948534573.db2.gz RTCMEXUFAATDLO-AWEZNQCLSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@H](C(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573720693 948534576 /nfs/dbraw/zinc/53/45/76/948534576.db2.gz RTCMEXUFAATDLO-AWEZNQCLSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725920 948545113 /nfs/dbraw/zinc/54/51/13/948545113.db2.gz CUUDEWRQMGDKHR-VTPLQMEGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725920 948545119 /nfs/dbraw/zinc/54/51/19/948545119.db2.gz CUUDEWRQMGDKHR-VTPLQMEGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573728292 948560259 /nfs/dbraw/zinc/56/02/59/948560259.db2.gz CUUDEWRQMGDKHR-HBJVGIJOSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573728292 948560267 /nfs/dbraw/zinc/56/02/67/948560267.db2.gz CUUDEWRQMGDKHR-HBJVGIJOSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573728323 948561613 /nfs/dbraw/zinc/56/16/13/948561613.db2.gz DBCSOXAYAOHQMY-JHJVBQTASA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573728323 948561623 /nfs/dbraw/zinc/56/16/23/948561623.db2.gz DBCSOXAYAOHQMY-JHJVBQTASA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573729045 948566434 /nfs/dbraw/zinc/56/64/34/948566434.db2.gz FHHPRDXINOTFSN-ZJQBRPOHSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573729045 948566443 /nfs/dbraw/zinc/56/64/43/948566443.db2.gz FHHPRDXINOTFSN-ZJQBRPOHSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573731215 948588850 /nfs/dbraw/zinc/58/88/50/948588850.db2.gz FKTUHRQAONMDPO-YUMQZZPRSA-N -1 3 387.853 0.265 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573731215 948588855 /nfs/dbraw/zinc/58/88/55/948588855.db2.gz FKTUHRQAONMDPO-YUMQZZPRSA-N -1 3 387.853 0.265 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573731360 948591342 /nfs/dbraw/zinc/59/13/42/948591342.db2.gz WDEJCIHZULFVQE-CKYFFXLPSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573731360 948591349 /nfs/dbraw/zinc/59/13/49/948591349.db2.gz WDEJCIHZULFVQE-CKYFFXLPSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573732374 948601523 /nfs/dbraw/zinc/60/15/23/948601523.db2.gz NULGJZBLKHWZJM-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573732374 948601528 /nfs/dbraw/zinc/60/15/28/948601528.db2.gz NULGJZBLKHWZJM-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573736027 948611355 /nfs/dbraw/zinc/61/13/55/948611355.db2.gz ATVYJNHXQJPXKQ-MRVWCRGKSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573736027 948611360 /nfs/dbraw/zinc/61/13/60/948611360.db2.gz ATVYJNHXQJPXKQ-MRVWCRGKSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573736257 948614631 /nfs/dbraw/zinc/61/46/31/948614631.db2.gz LJZGPMGSEDIYJU-GXFFZTMASA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573736257 948614632 /nfs/dbraw/zinc/61/46/32/948614632.db2.gz LJZGPMGSEDIYJU-GXFFZTMASA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573736470 948616002 /nfs/dbraw/zinc/61/60/02/948616002.db2.gz WJBRGJPNJARKCE-CMPLNLGQSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573736470 948616006 /nfs/dbraw/zinc/61/60/06/948616006.db2.gz WJBRGJPNJARKCE-CMPLNLGQSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C)n1cccn1 ZINC001573740643 948639578 /nfs/dbraw/zinc/63/95/78/948639578.db2.gz MDAOGPUZNKVQHW-JTNHKYCSSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C)n1cccn1 ZINC001573740643 948639583 /nfs/dbraw/zinc/63/95/83/948639583.db2.gz MDAOGPUZNKVQHW-JTNHKYCSSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C1CCC1 ZINC001573740782 948643759 /nfs/dbraw/zinc/64/37/59/948643759.db2.gz SJUYXFYOMLGLFM-FZQKWOKYSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C1CCC1 ZINC001573740782 948643760 /nfs/dbraw/zinc/64/37/60/948643760.db2.gz SJUYXFYOMLGLFM-FZQKWOKYSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573742334 948660645 /nfs/dbraw/zinc/66/06/45/948660645.db2.gz KWYXMPMUPJYKHR-MNOVXSKESA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573742334 948660650 /nfs/dbraw/zinc/66/06/50/948660650.db2.gz KWYXMPMUPJYKHR-MNOVXSKESA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573742643 948663434 /nfs/dbraw/zinc/66/34/34/948663434.db2.gz OMCBEQDMHJHFSZ-WFASDCNBSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573742643 948663436 /nfs/dbraw/zinc/66/34/36/948663436.db2.gz OMCBEQDMHJHFSZ-WFASDCNBSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573745251 948670679 /nfs/dbraw/zinc/67/06/79/948670679.db2.gz DEKXMXQKQXRCAN-SGMGOOAPSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573745251 948670686 /nfs/dbraw/zinc/67/06/86/948670686.db2.gz DEKXMXQKQXRCAN-SGMGOOAPSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573745465 948671122 /nfs/dbraw/zinc/67/11/22/948671122.db2.gz CJCJGFVMQLCWTB-HBJVGIJOSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573745465 948671126 /nfs/dbraw/zinc/67/11/26/948671126.db2.gz CJCJGFVMQLCWTB-HBJVGIJOSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573745522 948672906 /nfs/dbraw/zinc/67/29/06/948672906.db2.gz DEKXMXQKQXRCAN-YRGRVCCFSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573745522 948672911 /nfs/dbraw/zinc/67/29/11/948672911.db2.gz DEKXMXQKQXRCAN-YRGRVCCFSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573745721 948675900 /nfs/dbraw/zinc/67/59/00/948675900.db2.gz HCVZMDXEVTZZAH-HONMWMINSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573745721 948675902 /nfs/dbraw/zinc/67/59/02/948675902.db2.gz HCVZMDXEVTZZAH-HONMWMINSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573746368 948680793 /nfs/dbraw/zinc/68/07/93/948680793.db2.gz JCKDFBBWKQVWIX-XDTLVQLUSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573746368 948680794 /nfs/dbraw/zinc/68/07/94/948680794.db2.gz JCKDFBBWKQVWIX-XDTLVQLUSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)c1cnn(C)c1 ZINC001573751810 948705775 /nfs/dbraw/zinc/70/57/75/948705775.db2.gz DKZSFRXLSZMZKN-YZOIGVHSSA-N -1 3 379.428 0.350 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)c1cnn(C)c1 ZINC001573751810 948705778 /nfs/dbraw/zinc/70/57/78/948705778.db2.gz DKZSFRXLSZMZKN-YZOIGVHSSA-N -1 3 379.428 0.350 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)c1cccnc1 ZINC001573751888 948707595 /nfs/dbraw/zinc/70/75/95/948707595.db2.gz GQJZDYLAGXNBMI-YZOIGVHSSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)c1cccnc1 ZINC001573751888 948707599 /nfs/dbraw/zinc/70/75/99/948707599.db2.gz GQJZDYLAGXNBMI-YZOIGVHSSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1cnn(C)c1 ZINC001573752032 948710555 /nfs/dbraw/zinc/71/05/55/948710555.db2.gz KERHOSWNGOIIBJ-XDTLVQLUSA-N -1 3 385.407 0.997 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1cnn(C)c1 ZINC001573752032 948710560 /nfs/dbraw/zinc/71/05/60/948710560.db2.gz KERHOSWNGOIIBJ-XDTLVQLUSA-N -1 3 385.407 0.997 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1cnn(C)c1 ZINC001573752031 948711037 /nfs/dbraw/zinc/71/10/37/948711037.db2.gz KERHOSWNGOIIBJ-OASPWFOLSA-N -1 3 385.407 0.997 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1cnn(C)c1 ZINC001573752031 948711042 /nfs/dbraw/zinc/71/10/42/948711042.db2.gz KERHOSWNGOIIBJ-OASPWFOLSA-N -1 3 385.407 0.997 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573753930 948723498 /nfs/dbraw/zinc/72/34/98/948723498.db2.gz YKXDPNIHTWBILN-UZWSLXQKSA-N -1 3 387.419 0.980 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573753930 948723507 /nfs/dbraw/zinc/72/35/07/948723507.db2.gz YKXDPNIHTWBILN-UZWSLXQKSA-N -1 3 387.419 0.980 20 0 GCADHM C[C@H](CNC(=O)CCc1ccccn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574914640 948752140 /nfs/dbraw/zinc/75/21/40/948752140.db2.gz LQYHJQTWAAGBQT-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@H](CNC(=O)CCc1ccccn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574914640 948752149 /nfs/dbraw/zinc/75/21/49/948752149.db2.gz LQYHJQTWAAGBQT-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001574416762 948758646 /nfs/dbraw/zinc/75/86/46/948758646.db2.gz GYEYRMREURSRRZ-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001574416762 948758652 /nfs/dbraw/zinc/75/86/52/948758652.db2.gz GYEYRMREURSRRZ-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575222795 948760951 /nfs/dbraw/zinc/76/09/51/948760951.db2.gz KIOBBMSOSGAECN-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575222795 948760968 /nfs/dbraw/zinc/76/09/68/948760968.db2.gz KIOBBMSOSGAECN-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574915118 948761171 /nfs/dbraw/zinc/76/11/71/948761171.db2.gz RBMMKOSUAZKTHL-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574915118 948761180 /nfs/dbraw/zinc/76/11/80/948761180.db2.gz RBMMKOSUAZKTHL-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574915434 948763293 /nfs/dbraw/zinc/76/32/93/948763293.db2.gz TZISBBHEVWNNNL-SNVBAGLBSA-N -1 3 384.400 0.163 20 0 GCADHM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574915434 948763306 /nfs/dbraw/zinc/76/33/06/948763306.db2.gz TZISBBHEVWNNNL-SNVBAGLBSA-N -1 3 384.400 0.163 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001574079114 948764051 /nfs/dbraw/zinc/76/40/51/948764051.db2.gz ABYGTDFJOUGZAK-WCQYABFASA-N -1 3 381.387 0.716 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001574079114 948764063 /nfs/dbraw/zinc/76/40/63/948764063.db2.gz ABYGTDFJOUGZAK-WCQYABFASA-N -1 3 381.387 0.716 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575223550 948768231 /nfs/dbraw/zinc/76/82/31/948768231.db2.gz DEDZQIMLGRRSML-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575223550 948768237 /nfs/dbraw/zinc/76/82/37/948768237.db2.gz DEDZQIMLGRRSML-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(CN(C)C)on1 ZINC001574679151 948770821 /nfs/dbraw/zinc/77/08/21/948770821.db2.gz PACWHCIIRYCABW-SNVBAGLBSA-N -1 3 386.420 0.327 20 0 GCADHM C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(CN(C)C)on1 ZINC001574679151 948770833 /nfs/dbraw/zinc/77/08/33/948770833.db2.gz PACWHCIIRYCABW-SNVBAGLBSA-N -1 3 386.420 0.327 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574916571 948778210 /nfs/dbraw/zinc/77/82/10/948778210.db2.gz DOMUJUJFZFNLMI-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574916571 948778218 /nfs/dbraw/zinc/77/82/18/948778218.db2.gz DOMUJUJFZFNLMI-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncn1C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574916522 948778522 /nfs/dbraw/zinc/77/85/22/948778522.db2.gz CKGOZOPQUSCGTN-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncn1C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574916522 948778525 /nfs/dbraw/zinc/77/85/25/948778525.db2.gz CKGOZOPQUSCGTN-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001574080197 948785407 /nfs/dbraw/zinc/78/54/07/948785407.db2.gz JUSPRQFHAWUGIC-RBSFLKMASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O ZINC001574080197 948785416 /nfs/dbraw/zinc/78/54/16/948785416.db2.gz JUSPRQFHAWUGIC-RBSFLKMASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001574080457 948792595 /nfs/dbraw/zinc/79/25/95/948792595.db2.gz LGBUQUFMZQBGJJ-YPMHNXCESA-N -1 3 381.387 0.716 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001574080457 948792604 /nfs/dbraw/zinc/79/26/04/948792604.db2.gz LGBUQUFMZQBGJJ-YPMHNXCESA-N -1 3 381.387 0.716 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@@H]1O ZINC001574080488 948796912 /nfs/dbraw/zinc/79/69/12/948796912.db2.gz MBVXWZOBLRMFNH-QLFBSQMISA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1O ZINC001574080488 948796917 /nfs/dbraw/zinc/79/69/17/948796917.db2.gz MBVXWZOBLRMFNH-QLFBSQMISA-N -1 3 380.399 0.661 20 0 GCADHM CC(F)(F)CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575225094 948798763 /nfs/dbraw/zinc/79/87/63/948798763.db2.gz WFSCHULUKSZGEW-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)CC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575225094 948798772 /nfs/dbraw/zinc/79/87/72/948798772.db2.gz WFSCHULUKSZGEW-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573756224 948808411 /nfs/dbraw/zinc/80/84/11/948808411.db2.gz OIWPWQSXMKNZDI-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573756224 948808426 /nfs/dbraw/zinc/80/84/26/948808426.db2.gz OIWPWQSXMKNZDI-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917478 948818505 /nfs/dbraw/zinc/81/85/05/948818505.db2.gz YJKGPCGMGNSEDU-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917478 948818519 /nfs/dbraw/zinc/81/85/19/948818519.db2.gz YJKGPCGMGNSEDU-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917531 948822361 /nfs/dbraw/zinc/82/23/61/948822361.db2.gz ZMJKOOCCGPNBKA-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917531 948822373 /nfs/dbraw/zinc/82/23/73/948822373.db2.gz ZMJKOOCCGPNBKA-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917728 948824442 /nfs/dbraw/zinc/82/44/42/948824442.db2.gz AARYVXFKWLGZPX-CYBMUJFWSA-N -1 3 384.444 0.959 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917728 948824460 /nfs/dbraw/zinc/82/44/60/948824460.db2.gz AARYVXFKWLGZPX-CYBMUJFWSA-N -1 3 384.444 0.959 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574422013 948826840 /nfs/dbraw/zinc/82/68/40/948826840.db2.gz UPCIDNVLALGJGV-SNVBAGLBSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574422013 948826860 /nfs/dbraw/zinc/82/68/60/948826860.db2.gz UPCIDNVLALGJGV-SNVBAGLBSA-N -1 3 387.400 0.432 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917997 948834069 /nfs/dbraw/zinc/83/40/69/948834069.db2.gz FGNUMHVXIIOIKK-ZDUSSCGKSA-N -1 3 384.444 0.959 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917997 948834092 /nfs/dbraw/zinc/83/40/92/948834092.db2.gz FGNUMHVXIIOIKK-ZDUSSCGKSA-N -1 3 384.444 0.959 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574918156 948837936 /nfs/dbraw/zinc/83/79/36/948837936.db2.gz GLQUSWGUZATNOX-LLVKDONJSA-N -1 3 381.462 0.251 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574918156 948837953 /nfs/dbraw/zinc/83/79/53/948837953.db2.gz GLQUSWGUZATNOX-LLVKDONJSA-N -1 3 381.462 0.251 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cnc[nH]1 ZINC001573761352 948839711 /nfs/dbraw/zinc/83/97/11/948839711.db2.gz HNNFDRXXCKFVFW-NSHDSACASA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cnc[nH]1 ZINC001573761352 948839727 /nfs/dbraw/zinc/83/97/27/948839727.db2.gz HNNFDRXXCKFVFW-NSHDSACASA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573761558 948846112 /nfs/dbraw/zinc/84/61/12/948846112.db2.gz JMZUHFPXVVXQQO-LBPRGKRZSA-N -1 3 392.485 0.542 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573761558 948846129 /nfs/dbraw/zinc/84/61/29/948846129.db2.gz JMZUHFPXVVXQQO-LBPRGKRZSA-N -1 3 392.485 0.542 20 0 GCADHM CC(C)C1(C(=O)NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574082136 948848652 /nfs/dbraw/zinc/84/86/52/948848652.db2.gz ARMGERILQFLQFG-LBPRGKRZSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)C1(C(=O)NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574082136 948848668 /nfs/dbraw/zinc/84/86/68/948848668.db2.gz ARMGERILQFLQFG-LBPRGKRZSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CNC(=O)CCCn1cncn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574918497 948849222 /nfs/dbraw/zinc/84/92/22/948849222.db2.gz LQYPHEXWIHYYJT-LLVKDONJSA-N -1 3 388.411 0.637 20 0 GCADHM C[C@H](CNC(=O)CCCn1cncn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574918497 948849236 /nfs/dbraw/zinc/84/92/36/948849236.db2.gz LQYPHEXWIHYYJT-LLVKDONJSA-N -1 3 388.411 0.637 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CO)CC1OCCO1 ZINC001574082226 948851337 /nfs/dbraw/zinc/85/13/37/948851337.db2.gz CGTVAKJKDWCBMG-MLGOLLRUSA-N -1 3 391.428 0.510 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CO)CC1OCCO1 ZINC001574082226 948851346 /nfs/dbraw/zinc/85/13/46/948851346.db2.gz CGTVAKJKDWCBMG-MLGOLLRUSA-N -1 3 391.428 0.510 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573762286 948853509 /nfs/dbraw/zinc/85/35/09/948853509.db2.gz RTDLJDJOCPUEQR-UHFFFAOYSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573762286 948853529 /nfs/dbraw/zinc/85/35/29/948853529.db2.gz RTDLJDJOCPUEQR-UHFFFAOYSA-N -1 3 387.444 0.588 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1O ZINC001575229756 948857179 /nfs/dbraw/zinc/85/71/79/948857179.db2.gz SCQFWLYQQAMFDG-OLZOCXBDSA-N -1 3 384.362 0.712 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CCC(=O)N1C ZINC001574684092 948858489 /nfs/dbraw/zinc/85/84/89/948858489.db2.gz BMQSYRRZOFFOLO-JOYOIKCWSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CCC(=O)N1C ZINC001574684092 948858502 /nfs/dbraw/zinc/85/85/02/948858502.db2.gz BMQSYRRZOFFOLO-JOYOIKCWSA-N -1 3 392.851 0.843 20 0 GCADHM CC(F)(F)CC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575229773 948861051 /nfs/dbraw/zinc/86/10/51/948861051.db2.gz SWXKWDGDMROYQD-UHFFFAOYSA-N -1 3 380.403 0.545 20 0 GCADHM CC(F)(F)CC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575229773 948861064 /nfs/dbraw/zinc/86/10/64/948861064.db2.gz SWXKWDGDMROYQD-UHFFFAOYSA-N -1 3 380.403 0.545 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H](O)C2)CC1 ZINC001574082780 948863538 /nfs/dbraw/zinc/86/35/38/948863538.db2.gz JPNJTFSSIBLDPV-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H](O)C2)CC1 ZINC001574082780 948863552 /nfs/dbraw/zinc/86/35/52/948863552.db2.gz JPNJTFSSIBLDPV-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)no1 ZINC001574425190 948869001 /nfs/dbraw/zinc/86/90/01/948869001.db2.gz ARBRYZCKNFHJLS-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)no1 ZINC001574425190 948869020 /nfs/dbraw/zinc/86/90/20/948869020.db2.gz ARBRYZCKNFHJLS-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@H](CNC(=O)CCCc1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574919189 948870566 /nfs/dbraw/zinc/87/05/66/948870566.db2.gz WCBMUBIZNLLVQO-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CNC(=O)CCCc1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574919189 948870581 /nfs/dbraw/zinc/87/05/81/948870581.db2.gz WCBMUBIZNLLVQO-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001575230035 948871454 /nfs/dbraw/zinc/87/14/54/948871454.db2.gz ZYMLLLDSZWQIEL-OLZOCXBDSA-N -1 3 384.362 0.712 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001575230035 948871475 /nfs/dbraw/zinc/87/14/75/948871475.db2.gz ZYMLLLDSZWQIEL-OLZOCXBDSA-N -1 3 384.362 0.712 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574684518 948873247 /nfs/dbraw/zinc/87/32/47/948873247.db2.gz HSAZJAHDKFQCBU-ONGXEEELSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574684518 948873266 /nfs/dbraw/zinc/87/32/66/948873266.db2.gz HSAZJAHDKFQCBU-ONGXEEELSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@@H](CNC(=O)CCCc1ccccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574919432 948875673 /nfs/dbraw/zinc/87/56/73/948875673.db2.gz ZGOYLDBRMKNQOP-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)CCCc1ccccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574919432 948875688 /nfs/dbraw/zinc/87/56/88/948875688.db2.gz ZGOYLDBRMKNQOP-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM CC(C)c1nnc(CN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)[nH]1 ZINC001574425508 948875756 /nfs/dbraw/zinc/87/57/56/948875756.db2.gz HCVSUUMSBVBASN-UHFFFAOYSA-N -1 3 384.448 0.831 20 0 GCADHM CC(C)(C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573763924 948877143 /nfs/dbraw/zinc/87/71/43/948877143.db2.gz IOCXXMSNSSZPLM-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573763924 948877157 /nfs/dbraw/zinc/87/71/57/948877157.db2.gz IOCXXMSNSSZPLM-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574684611 948878090 /nfs/dbraw/zinc/87/80/90/948878090.db2.gz IWXZWEGZQXMXOL-MNOVXSKESA-N -1 3 390.423 0.624 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574684611 948878104 /nfs/dbraw/zinc/87/81/04/948878104.db2.gz IWXZWEGZQXMXOL-MNOVXSKESA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cnc[nH]1 ZINC001573764064 948881906 /nfs/dbraw/zinc/88/19/06/948881906.db2.gz KWLJOUIEEGDACT-LLVKDONJSA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cnc[nH]1 ZINC001573764064 948881926 /nfs/dbraw/zinc/88/19/26/948881926.db2.gz KWLJOUIEEGDACT-LLVKDONJSA-N -1 3 382.432 0.618 20 0 GCADHM C[C@H](CNC(=O)CCc1cncn1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574920020 948882894 /nfs/dbraw/zinc/88/28/94/948882894.db2.gz AHZJTKYMWMYRAO-LLVKDONJSA-N -1 3 387.423 0.708 20 0 GCADHM C[C@H](CNC(=O)CCc1cncn1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574920020 948882919 /nfs/dbraw/zinc/88/29/19/948882919.db2.gz AHZJTKYMWMYRAO-LLVKDONJSA-N -1 3 387.423 0.708 20 0 GCADHM CC(C)c1nnc(CN2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]1 ZINC001574426457 948887143 /nfs/dbraw/zinc/88/71/43/948887143.db2.gz RSUNIFOAKAQBEY-JTQLQIEISA-N -1 3 384.448 0.687 20 0 GCADHM CC(C)(C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)c1cnc[nH]1 ZINC001573764341 948887496 /nfs/dbraw/zinc/88/74/96/948887496.db2.gz NICTYYCRGWTSTE-UHFFFAOYSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)c1cnc[nH]1 ZINC001573764341 948887516 /nfs/dbraw/zinc/88/75/16/948887516.db2.gz NICTYYCRGWTSTE-UHFFFAOYSA-N -1 3 382.432 0.761 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574684828 948887962 /nfs/dbraw/zinc/88/79/62/948887962.db2.gz NIQRGPBODRQJHL-GWCFXTLKSA-N -1 3 378.412 0.038 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574684828 948887974 /nfs/dbraw/zinc/88/79/74/948887974.db2.gz NIQRGPBODRQJHL-GWCFXTLKSA-N -1 3 378.412 0.038 20 0 GCADHM C[C@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1nc[nH]n1 ZINC001574684821 948889242 /nfs/dbraw/zinc/88/92/42/948889242.db2.gz NFUNQLOSQYKBBH-ZCFIWIBFSA-N -1 3 382.841 0.644 20 0 GCADHM C[C@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1nc[nH]n1 ZINC001574684821 948889258 /nfs/dbraw/zinc/88/92/58/948889258.db2.gz NFUNQLOSQYKBBH-ZCFIWIBFSA-N -1 3 382.841 0.644 20 0 GCADHM CC(C)C1(C(=O)NC[C@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574083755 948890333 /nfs/dbraw/zinc/89/03/33/948890333.db2.gz XYYXTCFZRUBHQF-LBPRGKRZSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)C1(C(=O)NC[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574083755 948890349 /nfs/dbraw/zinc/89/03/49/948890349.db2.gz XYYXTCFZRUBHQF-LBPRGKRZSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)c1nc(CN[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)no1 ZINC001574426625 948891361 /nfs/dbraw/zinc/89/13/61/948891361.db2.gz TZBFNGRZPUOABB-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)no1 ZINC001574426625 948891371 /nfs/dbraw/zinc/89/13/71/948891371.db2.gz TZBFNGRZPUOABB-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001574083709 948891917 /nfs/dbraw/zinc/89/19/17/948891917.db2.gz XLMPEPINNVLYDM-AEIGPULVSA-N -1 3 375.429 0.661 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001574083709 948891933 /nfs/dbraw/zinc/89/19/33/948891933.db2.gz XLMPEPINNVLYDM-AEIGPULVSA-N -1 3 375.429 0.661 20 0 GCADHM CC(C)C1(C(=O)NC[C@@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574083754 948892486 /nfs/dbraw/zinc/89/24/86/948892486.db2.gz XYYXTCFZRUBHQF-GFCCVEGCSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)C1(C(=O)NC[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574083754 948892501 /nfs/dbraw/zinc/89/25/01/948892501.db2.gz XYYXTCFZRUBHQF-GFCCVEGCSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cnc[nH]1 ZINC001573764913 948894542 /nfs/dbraw/zinc/89/45/42/948894542.db2.gz RJTMSHZGGIDMJH-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cnc[nH]1 ZINC001573764913 948894565 /nfs/dbraw/zinc/89/45/65/948894565.db2.gz RJTMSHZGGIDMJH-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574684951 948895230 /nfs/dbraw/zinc/89/52/30/948895230.db2.gz PNVXRBDRTFHMJY-WDEREUQCSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574684951 948895240 /nfs/dbraw/zinc/89/52/40/948895240.db2.gz PNVXRBDRTFHMJY-WDEREUQCSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CC(N)=O)C(=O)N[C@@H](C)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574684924 948895272 /nfs/dbraw/zinc/89/52/72/948895272.db2.gz PFTLODNPQCPNRR-BDAKNGLRSA-N -1 3 380.840 0.733 20 0 GCADHM C[C@H](CC(N)=O)C(=O)N[C@@H](C)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574684924 948895289 /nfs/dbraw/zinc/89/52/89/948895289.db2.gz PFTLODNPQCPNRR-BDAKNGLRSA-N -1 3 380.840 0.733 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684981 948895507 /nfs/dbraw/zinc/89/55/07/948895507.db2.gz QLVRWCBQXYNBIX-LDYMZIIASA-N -1 3 378.824 0.500 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684981 948895524 /nfs/dbraw/zinc/89/55/24/948895524.db2.gz QLVRWCBQXYNBIX-LDYMZIIASA-N -1 3 378.824 0.500 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573764699 948895674 /nfs/dbraw/zinc/89/56/74/948895674.db2.gz QPXKRIOKPOZKQG-CYBMUJFWSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573764699 948895694 /nfs/dbraw/zinc/89/56/94/948895694.db2.gz QPXKRIOKPOZKQG-CYBMUJFWSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574684952 948896319 /nfs/dbraw/zinc/89/63/19/948896319.db2.gz PPGRLWCEKPVDQF-QNSHHTMESA-N -1 3 378.824 0.343 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574684952 948896333 /nfs/dbraw/zinc/89/63/33/948896333.db2.gz PPGRLWCEKPVDQF-QNSHHTMESA-N -1 3 378.824 0.343 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cnc[nH]1 ZINC001573765161 948898632 /nfs/dbraw/zinc/89/86/32/948898632.db2.gz VGQZOFPHCBLTHR-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cnc[nH]1 ZINC001573765161 948898653 /nfs/dbraw/zinc/89/86/53/948898653.db2.gz VGQZOFPHCBLTHR-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001574685061 948898873 /nfs/dbraw/zinc/89/88/73/948898873.db2.gz RTKIWYRRHCVVPZ-JQWIXIFHSA-N -1 3 390.423 0.766 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001574685061 948898886 /nfs/dbraw/zinc/89/88/86/948898886.db2.gz RTKIWYRRHCVVPZ-JQWIXIFHSA-N -1 3 390.423 0.766 20 0 GCADHM CC(C)c1nccc(NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574427140 948900845 /nfs/dbraw/zinc/90/08/45/948900845.db2.gz AIHMJRAEYDYSHH-GFCCVEGCSA-N -1 3 385.432 0.653 20 0 GCADHM CC(C)c1nccc(NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574427140 948900855 /nfs/dbraw/zinc/90/08/55/948900855.db2.gz AIHMJRAEYDYSHH-GFCCVEGCSA-N -1 3 385.432 0.653 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920609 948907006 /nfs/dbraw/zinc/90/70/06/948907006.db2.gz MWNNRBKDMIHOSY-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920609 948907022 /nfs/dbraw/zinc/90/70/22/948907022.db2.gz MWNNRBKDMIHOSY-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001575234799 948907229 /nfs/dbraw/zinc/90/72/29/948907229.db2.gz SAWGMUMFTHQZEW-RTCCRHLQSA-N -1 3 379.371 0.674 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001575234799 948907237 /nfs/dbraw/zinc/90/72/37/948907237.db2.gz SAWGMUMFTHQZEW-RTCCRHLQSA-N -1 3 379.371 0.674 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnc[nH]1 ZINC001573765460 948909966 /nfs/dbraw/zinc/90/99/66/948909966.db2.gz HUUVEAXUUUYAOD-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnc[nH]1 ZINC001573765460 948909980 /nfs/dbraw/zinc/90/99/80/948909980.db2.gz HUUVEAXUUUYAOD-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574685608 948912146 /nfs/dbraw/zinc/91/21/46/948912146.db2.gz XVZILNWHGUQIHZ-MWLCHTKSSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574685608 948912159 /nfs/dbraw/zinc/91/21/59/948912159.db2.gz XVZILNWHGUQIHZ-MWLCHTKSSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920927 948913692 /nfs/dbraw/zinc/91/36/92/948913692.db2.gz RBGCZDIOZAHTKX-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920927 948913704 /nfs/dbraw/zinc/91/37/04/948913704.db2.gz RBGCZDIOZAHTKX-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920926 948914258 /nfs/dbraw/zinc/91/42/58/948914258.db2.gz RBGCZDIOZAHTKX-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920926 948914275 /nfs/dbraw/zinc/91/42/75/948914275.db2.gz RBGCZDIOZAHTKX-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574921116 948915251 /nfs/dbraw/zinc/91/52/51/948915251.db2.gz SOBTVNXKYSISRW-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574921116 948915260 /nfs/dbraw/zinc/91/52/60/948915260.db2.gz SOBTVNXKYSISRW-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574921388 948920373 /nfs/dbraw/zinc/92/03/73/948920373.db2.gz WAHBJGIZMLJYOI-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574921388 948920386 /nfs/dbraw/zinc/92/03/86/948920386.db2.gz WAHBJGIZMLJYOI-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574921418 948920829 /nfs/dbraw/zinc/92/08/29/948920829.db2.gz WYKZATAEYCBHKD-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574921418 948920842 /nfs/dbraw/zinc/92/08/42/948920842.db2.gz WYKZATAEYCBHKD-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1cscn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574921377 948920866 /nfs/dbraw/zinc/92/08/66/948920866.db2.gz VXPKTHWNOGTOAL-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)CCc1cscn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574921377 948920870 /nfs/dbraw/zinc/92/08/70/948920870.db2.gz VXPKTHWNOGTOAL-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1ccccc1=O ZINC001574685856 948921728 /nfs/dbraw/zinc/92/17/28/948921728.db2.gz BMKGNIQUXHBGLZ-ZDUSSCGKSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1ccccc1=O ZINC001574685856 948921736 /nfs/dbraw/zinc/92/17/36/948921736.db2.gz BMKGNIQUXHBGLZ-ZDUSSCGKSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CNC(=O)C1CC1 ZINC001574685948 948921796 /nfs/dbraw/zinc/92/17/96/948921796.db2.gz BWHXOQGDQYVDNP-SECBINFHSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CNC(=O)C1CC1 ZINC001574685948 948921807 /nfs/dbraw/zinc/92/18/07/948921807.db2.gz BWHXOQGDQYVDNP-SECBINFHSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CNC(=O)CCc1cscn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574921415 948921971 /nfs/dbraw/zinc/92/19/71/948921971.db2.gz WSMRTUKMNAOUOG-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1cscn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574921415 948921980 /nfs/dbraw/zinc/92/19/80/948921980.db2.gz WSMRTUKMNAOUOG-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574921386 948922421 /nfs/dbraw/zinc/92/24/21/948922421.db2.gz WABRMVKBPVIMOA-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574921386 948922434 /nfs/dbraw/zinc/92/24/34/948922434.db2.gz WABRMVKBPVIMOA-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)c1cnc[nH]1 ZINC001573766016 948930650 /nfs/dbraw/zinc/93/06/50/948930650.db2.gz UBWBRPRREKJMOT-QWRGUYRKSA-N -1 3 380.416 0.147 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1)c1cnc[nH]1 ZINC001573766016 948930661 /nfs/dbraw/zinc/93/06/61/948930661.db2.gz UBWBRPRREKJMOT-QWRGUYRKSA-N -1 3 380.416 0.147 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001574686368 948931865 /nfs/dbraw/zinc/93/18/65/948931865.db2.gz HMYRGVDAGWVPMN-PWSUYJOCSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001574686368 948931880 /nfs/dbraw/zinc/93/18/80/948931880.db2.gz HMYRGVDAGWVPMN-PWSUYJOCSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ccn(C)c(=O)c1 ZINC001574686428 948934340 /nfs/dbraw/zinc/93/43/40/948934340.db2.gz IRLQMTUGYSCVCV-JTQLQIEISA-N -1 3 386.391 0.720 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ccn(C)c(=O)c1 ZINC001574686428 948934354 /nfs/dbraw/zinc/93/43/54/948934354.db2.gz IRLQMTUGYSCVCV-JTQLQIEISA-N -1 3 386.391 0.720 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1CCCC1=O ZINC001574686635 948938102 /nfs/dbraw/zinc/93/81/02/948938102.db2.gz KQJRQVHLONBVHV-SNVBAGLBSA-N -1 3 376.396 0.330 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1CCCC1=O ZINC001574686635 948938112 /nfs/dbraw/zinc/93/81/12/948938112.db2.gz KQJRQVHLONBVHV-SNVBAGLBSA-N -1 3 376.396 0.330 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1c[nH]cn1 ZINC001573771283 948939921 /nfs/dbraw/zinc/93/99/21/948939921.db2.gz FDZQZADHIKCSJL-NSHDSACASA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1c[nH]cn1 ZINC001573771478 948940959 /nfs/dbraw/zinc/94/09/59/948940959.db2.gz ISNKMNMOISYGHA-NSHDSACASA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1c[nH]cn1 ZINC001573771478 948940971 /nfs/dbraw/zinc/94/09/71/948940971.db2.gz ISNKMNMOISYGHA-NSHDSACASA-N -1 3 382.432 0.443 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574923239 948942740 /nfs/dbraw/zinc/94/27/40/948942740.db2.gz IEOCRWNAMQEPKD-LLVKDONJSA-N -1 3 389.435 0.815 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574923239 948942758 /nfs/dbraw/zinc/94/27/58/948942758.db2.gz IEOCRWNAMQEPKD-LLVKDONJSA-N -1 3 389.435 0.815 20 0 GCADHM CC(C)c1nnc(CN2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001574433114 948944374 /nfs/dbraw/zinc/94/43/74/948944374.db2.gz HOKDZEFWWXLTLL-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001574433114 948944387 /nfs/dbraw/zinc/94/43/87/948944387.db2.gz HOKDZEFWWXLTLL-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574433097 948945593 /nfs/dbraw/zinc/94/55/93/948945593.db2.gz GNGWAIAMFBUNRU-UHFFFAOYSA-N -1 3 383.416 0.306 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574433097 948945602 /nfs/dbraw/zinc/94/56/02/948945602.db2.gz GNGWAIAMFBUNRU-UHFFFAOYSA-N -1 3 383.416 0.306 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCCn1cncn1 ZINC001574687075 948946541 /nfs/dbraw/zinc/94/65/41/948946541.db2.gz MTSAHLLJDFRLII-LLVKDONJSA-N -1 3 388.411 0.779 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCCn1cncn1 ZINC001574687075 948946545 /nfs/dbraw/zinc/94/65/45/948946545.db2.gz MTSAHLLJDFRLII-LLVKDONJSA-N -1 3 388.411 0.779 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574432959 948947332 /nfs/dbraw/zinc/94/73/32/948947332.db2.gz QNQWTSUHJNVBIJ-NEPJUHHUSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574432959 948947342 /nfs/dbraw/zinc/94/73/42/948947342.db2.gz QNQWTSUHJNVBIJ-NEPJUHHUSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)(C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1c[nH]cn1 ZINC001573771862 948947432 /nfs/dbraw/zinc/94/74/32/948947432.db2.gz MSMWJKPOZSJEDK-UHFFFAOYSA-N -1 3 383.416 0.274 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ccc(=O)n(C)c1 ZINC001574687524 948953256 /nfs/dbraw/zinc/95/32/56/948953256.db2.gz PZRZBLWDUYRHPY-SNVBAGLBSA-N -1 3 386.391 0.720 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ccc(=O)n(C)c1 ZINC001574687524 948953271 /nfs/dbraw/zinc/95/32/71/948953271.db2.gz PZRZBLWDUYRHPY-SNVBAGLBSA-N -1 3 386.391 0.720 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574433373 948954062 /nfs/dbraw/zinc/95/40/62/948954062.db2.gz WQFJLMNERHLCFE-GFCCVEGCSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574433373 948954068 /nfs/dbraw/zinc/95/40/68/948954068.db2.gz WQFJLMNERHLCFE-GFCCVEGCSA-N -1 3 384.448 0.618 20 0 GCADHM CC(F)(F)CCC(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575239092 948957596 /nfs/dbraw/zinc/95/75/96/948957596.db2.gz QLXPMSFXRYMNLN-UHFFFAOYSA-N -1 3 380.399 0.965 20 0 GCADHM CC(F)(F)CCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575239092 948957606 /nfs/dbraw/zinc/95/76/06/948957606.db2.gz QLXPMSFXRYMNLN-UHFFFAOYSA-N -1 3 380.399 0.965 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574688300 948959183 /nfs/dbraw/zinc/95/91/83/948959183.db2.gz STTPCQUMCGMONJ-MNOVXSKESA-N -1 3 379.446 0.003 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574688300 948959195 /nfs/dbraw/zinc/95/91/95/948959195.db2.gz STTPCQUMCGMONJ-MNOVXSKESA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001574688353 948961231 /nfs/dbraw/zinc/96/12/31/948961231.db2.gz UHYKZZQKZHLWRZ-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001574688353 948961244 /nfs/dbraw/zinc/96/12/44/948961244.db2.gz UHYKZZQKZHLWRZ-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM CC(C)(C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)c1c[nH]cn1 ZINC001573772543 948961347 /nfs/dbraw/zinc/96/13/47/948961347.db2.gz UPAIJGODEHKSDD-UHFFFAOYSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)N1CCOCC1 ZINC001573772725 948964659 /nfs/dbraw/zinc/96/46/59/948964659.db2.gz CHOADMJBMBOQOL-UHFFFAOYSA-N -1 3 385.472 0.278 20 0 GCADHM CC(C)(C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)N1CCOCC1 ZINC001573772725 948964669 /nfs/dbraw/zinc/96/46/69/948964669.db2.gz CHOADMJBMBOQOL-UHFFFAOYSA-N -1 3 385.472 0.278 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574688834 948970066 /nfs/dbraw/zinc/97/00/66/948970066.db2.gz ZYDUKFSRSLUESQ-JOYOIKCWSA-N -1 3 376.396 0.376 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574688834 948970079 /nfs/dbraw/zinc/97/00/79/948970079.db2.gz ZYDUKFSRSLUESQ-JOYOIKCWSA-N -1 3 376.396 0.376 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574433900 948970476 /nfs/dbraw/zinc/97/04/76/948970476.db2.gz VEOIWERUYPWGDR-GFCCVEGCSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574433900 948970486 /nfs/dbraw/zinc/97/04/86/948970486.db2.gz VEOIWERUYPWGDR-GFCCVEGCSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1c[nH]cn1 ZINC001573772882 948971542 /nfs/dbraw/zinc/97/15/42/948971542.db2.gz XPWSDJHENVTNCQ-LLVKDONJSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)(C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573773113 948976907 /nfs/dbraw/zinc/97/69/07/948976907.db2.gz HDPARHUKCGVFMB-UHFFFAOYSA-N -1 3 384.487 0.052 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C1CC1 ZINC001573773294 948979498 /nfs/dbraw/zinc/97/94/98/948979498.db2.gz JNWLUUTZQZRHRJ-BXUZGUMPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C1CC1 ZINC001573773294 948979511 /nfs/dbraw/zinc/97/95/11/948979511.db2.gz JNWLUUTZQZRHRJ-BXUZGUMPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574090278 948979853 /nfs/dbraw/zinc/97/98/53/948979853.db2.gz HWYFUPDUWINMBY-WFASDCNBSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574090278 948979868 /nfs/dbraw/zinc/97/98/68/948979868.db2.gz HWYFUPDUWINMBY-WFASDCNBSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574090276 948980181 /nfs/dbraw/zinc/98/01/81/948980181.db2.gz HWYFUPDUWINMBY-IUODEOHRSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574090276 948980190 /nfs/dbraw/zinc/98/01/90/948980190.db2.gz HWYFUPDUWINMBY-IUODEOHRSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574090275 948980247 /nfs/dbraw/zinc/98/02/47/948980247.db2.gz HWYFUPDUWINMBY-DOMZBBRYSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574090275 948980258 /nfs/dbraw/zinc/98/02/58/948980258.db2.gz HWYFUPDUWINMBY-DOMZBBRYSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574090277 948980293 /nfs/dbraw/zinc/98/02/93/948980293.db2.gz HWYFUPDUWINMBY-SWLSCSKDSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574090277 948980305 /nfs/dbraw/zinc/98/03/05/948980305.db2.gz HWYFUPDUWINMBY-SWLSCSKDSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574926014 948981174 /nfs/dbraw/zinc/98/11/74/948981174.db2.gz GHHQZCIBBCRPNY-CYBMUJFWSA-N -1 3 386.460 0.829 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574926014 948981186 /nfs/dbraw/zinc/98/11/86/948981186.db2.gz GHHQZCIBBCRPNY-CYBMUJFWSA-N -1 3 386.460 0.829 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574434622 948984900 /nfs/dbraw/zinc/98/49/00/948984900.db2.gz LDCZGFGVMAEBLM-LLVKDONJSA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574434622 948984922 /nfs/dbraw/zinc/98/49/22/948984922.db2.gz LDCZGFGVMAEBLM-LLVKDONJSA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)c1nnc(CNC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)o1 ZINC001574434961 948987744 /nfs/dbraw/zinc/98/77/44/948987744.db2.gz NHBJKABCWMFVMV-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnc(CNC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)o1 ZINC001574434961 948987753 /nfs/dbraw/zinc/98/77/53/948987753.db2.gz NHBJKABCWMFVMV-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574434958 948988146 /nfs/dbraw/zinc/98/81/46/948988146.db2.gz NGIDBGQGIYOGAU-LLVKDONJSA-N -1 3 383.420 0.085 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574434958 948988157 /nfs/dbraw/zinc/98/81/57/948988157.db2.gz NGIDBGQGIYOGAU-LLVKDONJSA-N -1 3 383.420 0.085 20 0 GCADHM CC(C)c1nnc(CN[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)o1 ZINC001574434982 948988276 /nfs/dbraw/zinc/98/82/76/948988276.db2.gz NZAXSICWAZQQIR-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)o1 ZINC001574434982 948988289 /nfs/dbraw/zinc/98/82/89/948988289.db2.gz NZAXSICWAZQQIR-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)o1 ZINC001574435041 948989789 /nfs/dbraw/zinc/98/97/89/948989789.db2.gz QOLBDKQKHNUDRB-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)o1 ZINC001574435041 948989798 /nfs/dbraw/zinc/98/97/98/948989798.db2.gz QOLBDKQKHNUDRB-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)C(F)F ZINC001573773646 948990591 /nfs/dbraw/zinc/99/05/91/948990591.db2.gz OJNSZUWYFVDCMC-PWSUYJOCSA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)C(F)F ZINC001573773646 948990606 /nfs/dbraw/zinc/99/06/06/948990606.db2.gz OJNSZUWYFVDCMC-PWSUYJOCSA-N -1 3 381.387 0.609 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574689766 948993026 /nfs/dbraw/zinc/99/30/26/948993026.db2.gz LOFQLFARAQFTEU-NSHDSACASA-N -1 3 382.432 0.738 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574689766 948993039 /nfs/dbraw/zinc/99/30/39/948993039.db2.gz LOFQLFARAQFTEU-NSHDSACASA-N -1 3 382.432 0.738 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1ccoc1CC(N)=O ZINC001574689961 948993176 /nfs/dbraw/zinc/99/31/76/948993176.db2.gz MPZSXUSXECSXBI-JTQLQIEISA-N -1 3 384.400 0.503 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1ccoc1CC(N)=O ZINC001574689961 948993181 /nfs/dbraw/zinc/99/31/81/948993181.db2.gz MPZSXUSXECSXBI-JTQLQIEISA-N -1 3 384.400 0.503 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574689765 948993364 /nfs/dbraw/zinc/99/33/64/948993364.db2.gz LOFQLFARAQFTEU-LLVKDONJSA-N -1 3 382.432 0.738 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574689765 948993375 /nfs/dbraw/zinc/99/33/75/948993375.db2.gz LOFQLFARAQFTEU-LLVKDONJSA-N -1 3 382.432 0.738 20 0 GCADHM CC(C)c1nnc(CNC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)s1 ZINC001574435554 948993652 /nfs/dbraw/zinc/99/36/52/948993652.db2.gz VUEASGQJRLLEQJ-SECBINFHSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1c[nH]cn1 ZINC001573774049 948995549 /nfs/dbraw/zinc/99/55/49/948995549.db2.gz PQUBENPXRUTNEZ-JTQLQIEISA-N -1 3 383.416 0.226 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573774029 948996214 /nfs/dbraw/zinc/99/62/14/948996214.db2.gz PHGWSQFGVBZXOU-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573774029 948996222 /nfs/dbraw/zinc/99/62/22/948996222.db2.gz PHGWSQFGVBZXOU-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573774000 948996396 /nfs/dbraw/zinc/99/63/96/948996396.db2.gz HUKJEXWEJBSGDL-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573774000 948996403 /nfs/dbraw/zinc/99/64/03/948996403.db2.gz HUKJEXWEJBSGDL-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574435597 948998071 /nfs/dbraw/zinc/99/80/71/948998071.db2.gz WHCNFFXINJEVPN-LLVKDONJSA-N -1 3 385.436 0.013 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574435597 948998080 /nfs/dbraw/zinc/99/80/80/948998080.db2.gz WHCNFFXINJEVPN-LLVKDONJSA-N -1 3 385.436 0.013 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cc(C(N)=O)ccn1 ZINC001574690718 949005536 /nfs/dbraw/zinc/00/55/36/949005536.db2.gz QESRJFYWBIZOQF-SNVBAGLBSA-N -1 3 381.400 0.376 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cc(C(N)=O)ccn1 ZINC001574690718 949005546 /nfs/dbraw/zinc/00/55/46/949005546.db2.gz QESRJFYWBIZOQF-SNVBAGLBSA-N -1 3 381.400 0.376 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574439258 949008888 /nfs/dbraw/zinc/00/88/88/949008888.db2.gz DQCZLGPNAJSRKI-SNVBAGLBSA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574439258 949008894 /nfs/dbraw/zinc/00/88/94/949008894.db2.gz DQCZLGPNAJSRKI-SNVBAGLBSA-N -1 3 389.445 0.439 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574926731 949016773 /nfs/dbraw/zinc/01/67/73/949016773.db2.gz WEHVUDQKVVHBGP-ZDUSSCGKSA-N -1 3 386.460 0.605 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574926731 949016829 /nfs/dbraw/zinc/01/68/29/949016829.db2.gz WEHVUDQKVVHBGP-ZDUSSCGKSA-N -1 3 386.460 0.605 20 0 GCADHM CC(C)c1nnsc1C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574439844 949018019 /nfs/dbraw/zinc/01/80/19/949018019.db2.gz KCYHNOFTTMBUCT-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM CC(C)c1nnsc1C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574439844 949018039 /nfs/dbraw/zinc/01/80/39/949018039.db2.gz KCYHNOFTTMBUCT-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM CC(C)c1noc(CNC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)n1 ZINC001574439826 949019504 /nfs/dbraw/zinc/01/95/04/949019504.db2.gz JMIDSSVOMMACSS-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CNC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)n1 ZINC001574439826 949019521 /nfs/dbraw/zinc/01/95/21/949019521.db2.gz JMIDSSVOMMACSS-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574440117 949021954 /nfs/dbraw/zinc/02/19/54/949021954.db2.gz NTEHPQHTMGAPGI-MWLCHTKSSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440117 949021975 /nfs/dbraw/zinc/02/19/75/949021975.db2.gz NTEHPQHTMGAPGI-MWLCHTKSSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001574091497 949023051 /nfs/dbraw/zinc/02/30/51/949023051.db2.gz NURWDZDJDCVKPP-JKSUJKDBSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001574091497 949023070 /nfs/dbraw/zinc/02/30/70/949023070.db2.gz NURWDZDJDCVKPP-JKSUJKDBSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574440113 949024656 /nfs/dbraw/zinc/02/46/56/949024656.db2.gz NSSOMTCLPOMMHR-JTQLQIEISA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574440113 949024660 /nfs/dbraw/zinc/02/46/60/949024660.db2.gz NSSOMTCLPOMMHR-JTQLQIEISA-N -1 3 389.445 0.439 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ncccc1-c1nnn[n-]1 ZINC001574926897 949024901 /nfs/dbraw/zinc/02/49/01/949024901.db2.gz CUQKUPNSFHBNAL-LLVKDONJSA-N -1 3 381.400 0.003 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ncccc1-c1nn[n-]n1 ZINC001574926897 949024921 /nfs/dbraw/zinc/02/49/21/949024921.db2.gz CUQKUPNSFHBNAL-LLVKDONJSA-N -1 3 381.400 0.003 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574926895 949025142 /nfs/dbraw/zinc/02/51/42/949025142.db2.gz CTINSJKZNWYFJJ-GFCCVEGCSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574926895 949025161 /nfs/dbraw/zinc/02/51/61/949025161.db2.gz CTINSJKZNWYFJJ-GFCCVEGCSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574926891 949026968 /nfs/dbraw/zinc/02/69/68/949026968.db2.gz CQUHMDBCOBDTCT-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574926891 949026978 /nfs/dbraw/zinc/02/69/78/949026978.db2.gz CQUHMDBCOBDTCT-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001573775040 949029468 /nfs/dbraw/zinc/02/94/68/949029468.db2.gz SJABTXUYXHAYFV-JSGCOSHPSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001573775040 949029493 /nfs/dbraw/zinc/02/94/93/949029493.db2.gz SJABTXUYXHAYFV-JSGCOSHPSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCO1 ZINC001574091791 949030026 /nfs/dbraw/zinc/03/00/26/949030026.db2.gz MBQDEEUFFBBFJS-ABAIWWIYSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCO1 ZINC001574091791 949030044 /nfs/dbraw/zinc/03/00/44/949030044.db2.gz MBQDEEUFFBBFJS-ABAIWWIYSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001575502972 949033059 /nfs/dbraw/zinc/03/30/59/949033059.db2.gz MEYBAJOCHLJTFN-HVOFVXBASA-N -1 3 392.423 0.675 20 0 GCADHM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001575502972 949033075 /nfs/dbraw/zinc/03/30/75/949033075.db2.gz MEYBAJOCHLJTFN-HVOFVXBASA-N -1 3 392.423 0.675 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001575503026 949037215 /nfs/dbraw/zinc/03/72/15/949037215.db2.gz NBJJNEOQQFSNDO-VXGBXAGGSA-N -1 3 384.400 0.013 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574440790 949037059 /nfs/dbraw/zinc/03/70/59/949037059.db2.gz UKYKBMKIMAZLKT-SNVBAGLBSA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574440790 949037076 /nfs/dbraw/zinc/03/70/76/949037076.db2.gz UKYKBMKIMAZLKT-SNVBAGLBSA-N -1 3 389.445 0.439 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001575503026 949037236 /nfs/dbraw/zinc/03/72/36/949037236.db2.gz NBJJNEOQQFSNDO-VXGBXAGGSA-N -1 3 384.400 0.013 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573775449 949038216 /nfs/dbraw/zinc/03/82/16/949038216.db2.gz WRPJPKLRUOKXBB-QMMMGPOBSA-N -1 3 391.329 0.878 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573775449 949038233 /nfs/dbraw/zinc/03/82/33/949038233.db2.gz WRPJPKLRUOKXBB-QMMMGPOBSA-N -1 3 391.329 0.878 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574091924 949040814 /nfs/dbraw/zinc/04/08/14/949040814.db2.gz PWPDQBCAFLTFSE-STQMWFEESA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574091924 949040833 /nfs/dbraw/zinc/04/08/33/949040833.db2.gz PWPDQBCAFLTFSE-STQMWFEESA-N -1 3 375.433 0.038 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574927204 949041015 /nfs/dbraw/zinc/04/10/15/949041015.db2.gz HDVWUABMPJFQOB-VIFPVBQESA-N -1 3 392.851 0.382 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574927204 949041002 /nfs/dbraw/zinc/04/10/02/949041002.db2.gz HDVWUABMPJFQOB-VIFPVBQESA-N -1 3 392.851 0.382 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCCO1 ZINC001573775283 949041721 /nfs/dbraw/zinc/04/17/21/949041721.db2.gz VPFXNXACEZFIOR-UONOGXRCSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCCO1 ZINC001573775283 949041741 /nfs/dbraw/zinc/04/17/41/949041741.db2.gz VPFXNXACEZFIOR-UONOGXRCSA-N -1 3 389.460 0.746 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575503328 949044837 /nfs/dbraw/zinc/04/48/37/949044837.db2.gz OITOKCYLKLXRMT-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575503328 949044865 /nfs/dbraw/zinc/04/48/65/949044865.db2.gz OITOKCYLKLXRMT-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)c1noc(CNC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574440861 949045516 /nfs/dbraw/zinc/04/55/16/949045516.db2.gz WYCQATBCINLDII-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CNC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574440861 949045541 /nfs/dbraw/zinc/04/55/41/949045541.db2.gz WYCQATBCINLDII-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCCO1 ZINC001573775537 949046042 /nfs/dbraw/zinc/04/60/42/949046042.db2.gz YSCWWEZVNJAGTI-ZFWWWQNUSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCCO1 ZINC001573775537 949046060 /nfs/dbraw/zinc/04/60/60/949046060.db2.gz YSCWWEZVNJAGTI-ZFWWWQNUSA-N -1 3 389.460 0.746 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575247146 949047231 /nfs/dbraw/zinc/04/72/31/949047231.db2.gz IOUKMGVFUHGBBU-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575247146 949047243 /nfs/dbraw/zinc/04/72/43/949047243.db2.gz IOUKMGVFUHGBBU-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574092188 949048978 /nfs/dbraw/zinc/04/89/78/949048978.db2.gz QRAZJGLRTJCOTQ-CHWSQXEVSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574092188 949048999 /nfs/dbraw/zinc/04/89/99/949048999.db2.gz QRAZJGLRTJCOTQ-CHWSQXEVSA-N -1 3 375.433 0.038 20 0 GCADHM C[C@@H](CNC(=O)CN1CCOCC1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574927864 949049866 /nfs/dbraw/zinc/04/98/66/949049866.db2.gz LYSNXISHHNYBOD-LBPRGKRZSA-N -1 3 377.424 0.279 20 0 GCADHM C[C@@H](CNC(=O)CN1CCOCC1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574927864 949049885 /nfs/dbraw/zinc/04/98/85/949049885.db2.gz LYSNXISHHNYBOD-LBPRGKRZSA-N -1 3 377.424 0.279 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001574092192 949050266 /nfs/dbraw/zinc/05/02/66/949050266.db2.gz QRTCVJOSKOOXKU-KBPBESRZSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001574092192 949050285 /nfs/dbraw/zinc/05/02/85/949050285.db2.gz QRTCVJOSKOOXKU-KBPBESRZSA-N -1 3 388.447 0.961 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575247623 949051599 /nfs/dbraw/zinc/05/15/99/949051599.db2.gz KMCJUFVHTGDPHN-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575247623 949051619 /nfs/dbraw/zinc/05/16/19/949051619.db2.gz KMCJUFVHTGDPHN-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574441115 949053468 /nfs/dbraw/zinc/05/34/68/949053468.db2.gz BVYKWPIIYJMPFG-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574441115 949053487 /nfs/dbraw/zinc/05/34/87/949053487.db2.gz BVYKWPIIYJMPFG-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574441222 949053955 /nfs/dbraw/zinc/05/39/55/949053955.db2.gz IBENZWGAZZFBNL-GHMZBOCLSA-N -1 3 389.445 0.149 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574441222 949053976 /nfs/dbraw/zinc/05/39/76/949053976.db2.gz IBENZWGAZZFBNL-GHMZBOCLSA-N -1 3 389.445 0.149 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575247962 949054781 /nfs/dbraw/zinc/05/47/81/949054781.db2.gz MFBMLIFIFNWRLF-RYUDHWBXSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575247962 949054760 /nfs/dbraw/zinc/05/47/60/949054760.db2.gz MFBMLIFIFNWRLF-RYUDHWBXSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001575503995 949060656 /nfs/dbraw/zinc/06/06/56/949060656.db2.gz QQBAEOLVAVLBAW-UYHMYPTGSA-N -1 3 392.423 0.675 20 0 GCADHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001575503995 949060676 /nfs/dbraw/zinc/06/06/76/949060676.db2.gz QQBAEOLVAVLBAW-UYHMYPTGSA-N -1 3 392.423 0.675 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574928670 949063362 /nfs/dbraw/zinc/06/33/62/949063362.db2.gz QCZGQIIAKCNJNH-SNVBAGLBSA-N -1 3 386.441 0.670 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574928670 949063338 /nfs/dbraw/zinc/06/33/38/949063338.db2.gz QCZGQIIAKCNJNH-SNVBAGLBSA-N -1 3 386.441 0.670 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C(N)=O)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575248174 949064108 /nfs/dbraw/zinc/06/41/08/949064108.db2.gz PABKZPPNECHJLV-SECBINFHSA-N -1 3 377.474 0.376 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574928953 949067047 /nfs/dbraw/zinc/06/70/47/949067047.db2.gz UINAZLVXMHGTSX-GFCCVEGCSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574928953 949067030 /nfs/dbraw/zinc/06/70/30/949067030.db2.gz UINAZLVXMHGTSX-GFCCVEGCSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574928954 949068351 /nfs/dbraw/zinc/06/83/51/949068351.db2.gz UINAZLVXMHGTSX-LBPRGKRZSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574928954 949068367 /nfs/dbraw/zinc/06/83/67/949068367.db2.gz UINAZLVXMHGTSX-LBPRGKRZSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575248284 949071176 /nfs/dbraw/zinc/07/11/76/949071176.db2.gz QJJPRGOFACODJP-LBPRGKRZSA-N -1 3 385.472 0.718 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575248284 949071198 /nfs/dbraw/zinc/07/11/98/949071198.db2.gz QJJPRGOFACODJP-LBPRGKRZSA-N -1 3 385.472 0.718 20 0 GCADHM C[C@@H](CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1)CNC(=O)OC(C)(C)C ZINC001574929022 949071114 /nfs/dbraw/zinc/07/11/14/949071114.db2.gz VXCNNHISAHUSNM-NSHDSACASA-N -1 3 390.448 0.951 20 0 GCADHM C[C@@H](CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1)CNC(=O)OC(C)(C)C ZINC001574929022 949071094 /nfs/dbraw/zinc/07/10/94/949071094.db2.gz VXCNNHISAHUSNM-NSHDSACASA-N -1 3 390.448 0.951 20 0 GCADHM CC(C)c1nsc(NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574441756 949072626 /nfs/dbraw/zinc/07/26/26/949072626.db2.gz WAWROSPVWIBKEE-QMMMGPOBSA-N -1 3 377.434 0.373 20 0 GCADHM CC(C)c1nsc(NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574441756 949072643 /nfs/dbraw/zinc/07/26/43/949072643.db2.gz WAWROSPVWIBKEE-QMMMGPOBSA-N -1 3 377.434 0.373 20 0 GCADHM C[C@H](CCO)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574694398 949072827 /nfs/dbraw/zinc/07/28/27/949072827.db2.gz OPSJQUHQQDKQEA-ZDUSSCGKSA-N -1 3 388.476 0.938 20 0 GCADHM C[C@H](CCO)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574694398 949072848 /nfs/dbraw/zinc/07/28/48/949072848.db2.gz OPSJQUHQQDKQEA-ZDUSSCGKSA-N -1 3 388.476 0.938 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575248777 949077687 /nfs/dbraw/zinc/07/76/87/949077687.db2.gz VOVWNSRDGXTFPB-JTQLQIEISA-N -1 3 392.439 0.504 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575248777 949077707 /nfs/dbraw/zinc/07/77/07/949077707.db2.gz VOVWNSRDGXTFPB-JTQLQIEISA-N -1 3 392.439 0.504 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574694477 949079168 /nfs/dbraw/zinc/07/91/68/949079168.db2.gz PPQJBVWUPQOSDO-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574694477 949079184 /nfs/dbraw/zinc/07/91/84/949079184.db2.gz PPQJBVWUPQOSDO-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574694476 949080230 /nfs/dbraw/zinc/08/02/30/949080230.db2.gz PPQJBVWUPQOSDO-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574694476 949080246 /nfs/dbraw/zinc/08/02/46/949080246.db2.gz PPQJBVWUPQOSDO-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@H](CNC(=O)CN1CCOCC1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574929145 949081878 /nfs/dbraw/zinc/08/18/78/949081878.db2.gz ZHMSZGQZFHKZLF-CYBMUJFWSA-N -1 3 391.451 0.275 20 0 GCADHM C[C@H](CNC(=O)CN1CCOCC1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574929145 949081882 /nfs/dbraw/zinc/08/18/82/949081882.db2.gz ZHMSZGQZFHKZLF-CYBMUJFWSA-N -1 3 391.451 0.275 20 0 GCADHM C[C@@H](CNC(=O)CN1CCOCC1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574929146 949082924 /nfs/dbraw/zinc/08/29/24/949082924.db2.gz ZHMSZGQZFHKZLF-ZDUSSCGKSA-N -1 3 391.451 0.275 20 0 GCADHM C[C@@H](CNC(=O)CN1CCOCC1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574929146 949082943 /nfs/dbraw/zinc/08/29/43/949082943.db2.gz ZHMSZGQZFHKZLF-ZDUSSCGKSA-N -1 3 391.451 0.275 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574929254 949088034 /nfs/dbraw/zinc/08/80/34/949088034.db2.gz BMYKZFWAIXAMSH-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574929254 949088052 /nfs/dbraw/zinc/08/80/52/949088052.db2.gz BMYKZFWAIXAMSH-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574092998 949089554 /nfs/dbraw/zinc/08/95/54/949089554.db2.gz QPTVBVSRECUVEZ-RYUDHWBXSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574092998 949089566 /nfs/dbraw/zinc/08/95/66/949089566.db2.gz QPTVBVSRECUVEZ-RYUDHWBXSA-N -1 3 375.433 0.038 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575504921 949095858 /nfs/dbraw/zinc/09/58/58/949095858.db2.gz ZCARTHIHOOLXFV-CHWSQXEVSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575504921 949095876 /nfs/dbraw/zinc/09/58/76/949095876.db2.gz ZCARTHIHOOLXFV-CHWSQXEVSA-N -1 3 380.412 0.819 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1CC1 ZINC001573780444 949096245 /nfs/dbraw/zinc/09/62/45/949096245.db2.gz ZNFCOFRRSBDEAM-GOSISDBHSA-N -1 3 389.435 0.894 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1CC1 ZINC001573780444 949096266 /nfs/dbraw/zinc/09/62/66/949096266.db2.gz ZNFCOFRRSBDEAM-GOSISDBHSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cc1nc[nH]n1 ZINC001574695095 949101213 /nfs/dbraw/zinc/10/12/13/949101213.db2.gz ZHSKGTUVZJATGQ-LURJTMIESA-N -1 3 382.841 0.644 20 0 GCADHM CC(C)c1nocc1C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574442747 949103117 /nfs/dbraw/zinc/10/31/17/949103117.db2.gz TWHLRSWYOSTIGA-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1nocc1C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574442747 949103126 /nfs/dbraw/zinc/10/31/26/949103126.db2.gz TWHLRSWYOSTIGA-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1nocc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001574442736 949103455 /nfs/dbraw/zinc/10/34/55/949103455.db2.gz SRGNWSUWJORURT-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM CC(C)c1nocc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001574442736 949103467 /nfs/dbraw/zinc/10/34/67/949103467.db2.gz SRGNWSUWJORURT-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574930253 949105439 /nfs/dbraw/zinc/10/54/39/949105439.db2.gz KGIZBGHXUYWVKB-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574930253 949105455 /nfs/dbraw/zinc/10/54/55/949105455.db2.gz KGIZBGHXUYWVKB-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575250062 949105748 /nfs/dbraw/zinc/10/57/48/949105748.db2.gz CWZXTRVVOITCGZ-SDDRHHMPSA-N -1 3 386.460 0.872 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575250062 949105737 /nfs/dbraw/zinc/10/57/37/949105737.db2.gz CWZXTRVVOITCGZ-SDDRHHMPSA-N -1 3 386.460 0.872 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574930619 949107296 /nfs/dbraw/zinc/10/72/96/949107296.db2.gz KRWLNNYPYTYCNQ-CMPLNLGQSA-N -1 3 379.396 0.147 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574930619 949107287 /nfs/dbraw/zinc/10/72/87/949107287.db2.gz KRWLNNYPYTYCNQ-CMPLNLGQSA-N -1 3 379.396 0.147 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ncccc1-c1nnn[n-]1 ZINC001574930721 949110472 /nfs/dbraw/zinc/11/04/72/949110472.db2.gz MBFLBLDYBKXGKA-STQMWFEESA-N -1 3 375.433 0.622 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ncccc1-c1nn[n-]n1 ZINC001574930721 949110488 /nfs/dbraw/zinc/11/04/88/949110488.db2.gz MBFLBLDYBKXGKA-STQMWFEESA-N -1 3 375.433 0.622 20 0 GCADHM CC(C)c1ocnc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001574445756 949111297 /nfs/dbraw/zinc/11/12/97/949111297.db2.gz BVYNLIBQSMSRLM-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM CC(C)c1ocnc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001574445756 949111309 /nfs/dbraw/zinc/11/13/09/949111309.db2.gz BVYNLIBQSMSRLM-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575250359 949113579 /nfs/dbraw/zinc/11/35/79/949113579.db2.gz FKZXQRNSKGKISR-RYUDHWBXSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001575250354 949115770 /nfs/dbraw/zinc/11/57/70/949115770.db2.gz FGCGHDIQIWNCCP-NWDGAFQWSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001575250354 949115779 /nfs/dbraw/zinc/11/57/79/949115779.db2.gz FGCGHDIQIWNCCP-NWDGAFQWSA-N -1 3 382.428 0.834 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCOCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574093622 949116624 /nfs/dbraw/zinc/11/66/24/949116624.db2.gz WRISEUCEGKIDHJ-STQMWFEESA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCOCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574093622 949116632 /nfs/dbraw/zinc/11/66/32/949116632.db2.gz WRISEUCEGKIDHJ-STQMWFEESA-N -1 3 389.460 0.692 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574931690 949121515 /nfs/dbraw/zinc/12/15/15/949121515.db2.gz QSOGPFIDZKEYIP-ZYHUDNBSSA-N -1 3 379.396 0.371 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574931690 949121524 /nfs/dbraw/zinc/12/15/24/949121524.db2.gz QSOGPFIDZKEYIP-ZYHUDNBSSA-N -1 3 379.396 0.371 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574931698 949121791 /nfs/dbraw/zinc/12/17/91/949121791.db2.gz QWLICLYASAOFSK-IUODEOHRSA-N -1 3 392.435 0.748 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574093937 949121811 /nfs/dbraw/zinc/12/18/11/949121811.db2.gz UCAOUPNMLBIFGG-QWHCGFSZSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574093937 949121825 /nfs/dbraw/zinc/12/18/25/949121825.db2.gz UCAOUPNMLBIFGG-QWHCGFSZSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574696223 949124941 /nfs/dbraw/zinc/12/49/41/949124941.db2.gz NOUXVJFTDHYQID-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574696223 949124960 /nfs/dbraw/zinc/12/49/60/949124960.db2.gz NOUXVJFTDHYQID-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM C[C@H](NC(=O)C1(C(N)=O)CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575251066 949127058 /nfs/dbraw/zinc/12/70/58/949127058.db2.gz KQPHWHYNKUKUQS-NWDGAFQWSA-N -1 3 384.444 0.248 20 0 GCADHM C[C@H](NC(=O)C1(C(N)=O)CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575251066 949127045 /nfs/dbraw/zinc/12/70/45/949127045.db2.gz KQPHWHYNKUKUQS-NWDGAFQWSA-N -1 3 384.444 0.248 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCO1 ZINC001574094349 949138701 /nfs/dbraw/zinc/13/87/01/949138701.db2.gz VMXVTOOUWPJHLH-NHYWBVRUSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCO1 ZINC001574094349 949138711 /nfs/dbraw/zinc/13/87/11/949138711.db2.gz VMXVTOOUWPJHLH-NHYWBVRUSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1c[nH]cn1 ZINC001573782954 949138799 /nfs/dbraw/zinc/13/87/99/949138799.db2.gz OUIWTLSVJRYHQT-XYPYZODXSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1c[nH]cn1 ZINC001573782954 949138813 /nfs/dbraw/zinc/13/88/13/949138813.db2.gz OUIWTLSVJRYHQT-XYPYZODXSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573782995 949139158 /nfs/dbraw/zinc/13/91/58/949139158.db2.gz ZPQGLVIGMFOVBO-CYBMUJFWSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573782995 949139169 /nfs/dbraw/zinc/13/91/69/949139169.db2.gz ZPQGLVIGMFOVBO-CYBMUJFWSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1c[nH]cn1 ZINC001573783150 949141397 /nfs/dbraw/zinc/14/13/97/949141397.db2.gz UKQTUFRZIZMVJW-XYPYZODXSA-N -1 3 382.432 0.664 20 0 GCADHM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(CN(C)C)on1 ZINC001574696866 949143003 /nfs/dbraw/zinc/14/30/03/949143003.db2.gz WIEALEGBVYYTRK-JTQLQIEISA-N -1 3 386.420 0.327 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574446890 949145253 /nfs/dbraw/zinc/14/52/53/949145253.db2.gz ZMYASQQNBWBKCZ-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574446890 949145267 /nfs/dbraw/zinc/14/52/67/949145267.db2.gz ZMYASQQNBWBKCZ-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575251849 949148463 /nfs/dbraw/zinc/14/84/63/949148463.db2.gz OPRJVLOEMJMQJR-NEPJUHHUSA-N -1 3 392.485 0.236 20 0 GCADHM CC(C)c1ocnc1C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574446977 949149323 /nfs/dbraw/zinc/14/93/23/949149323.db2.gz DTFIQAJUJFQHPI-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1ocnc1C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574446977 949149343 /nfs/dbraw/zinc/14/93/43/949149343.db2.gz DTFIQAJUJFQHPI-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001574447168 949153883 /nfs/dbraw/zinc/15/38/83/949153883.db2.gz JBIBGSUUJXQGHN-CHWSQXEVSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001574447168 949153896 /nfs/dbraw/zinc/15/38/96/949153896.db2.gz JBIBGSUUJXQGHN-CHWSQXEVSA-N -1 3 384.400 0.353 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574697770 949158874 /nfs/dbraw/zinc/15/88/74/949158874.db2.gz BQVPUKBWFLLPKD-MNOVXSKESA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574697770 949158892 /nfs/dbraw/zinc/15/88/92/949158892.db2.gz BQVPUKBWFLLPKD-MNOVXSKESA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575252653 949166499 /nfs/dbraw/zinc/16/64/99/949166499.db2.gz GQQPMURCAVRVIY-LLVKDONJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575252653 949166487 /nfs/dbraw/zinc/16/64/87/949166487.db2.gz GQQPMURCAVRVIY-LLVKDONJSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)N1CCOCC1 ZINC001573787199 949170388 /nfs/dbraw/zinc/17/03/88/949170388.db2.gz PIGGCNPLIRDKAE-HDJSIYSDSA-N -1 3 386.460 0.432 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)N1CCOCC1 ZINC001573787199 949170406 /nfs/dbraw/zinc/17/04/06/949170406.db2.gz PIGGCNPLIRDKAE-HDJSIYSDSA-N -1 3 386.460 0.432 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574934623 949171149 /nfs/dbraw/zinc/17/11/49/949171149.db2.gz MJTLENNSLHGYHE-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574934623 949171162 /nfs/dbraw/zinc/17/11/62/949171162.db2.gz MJTLENNSLHGYHE-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575252729 949171883 /nfs/dbraw/zinc/17/18/83/949171883.db2.gz RCSWCJQORVHMDG-SKDRFNHKSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575252729 949171867 /nfs/dbraw/zinc/17/18/67/949171867.db2.gz RCSWCJQORVHMDG-SKDRFNHKSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934758 949174163 /nfs/dbraw/zinc/17/41/63/949174163.db2.gz PZEAOKBMJBCYQY-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934758 949174178 /nfs/dbraw/zinc/17/41/78/949174178.db2.gz PZEAOKBMJBCYQY-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934800 949178620 /nfs/dbraw/zinc/17/86/20/949178620.db2.gz RGLYQXNOZYGVBJ-LLVKDONJSA-N -1 3 384.400 0.151 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934800 949178639 /nfs/dbraw/zinc/17/86/39/949178639.db2.gz RGLYQXNOZYGVBJ-LLVKDONJSA-N -1 3 384.400 0.151 20 0 GCADHM CC(C)c1oncc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574448243 949181776 /nfs/dbraw/zinc/18/17/76/949181776.db2.gz HBFGONCEZOARIP-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM CC(C)c1oncc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574448243 949181792 /nfs/dbraw/zinc/18/17/92/949181792.db2.gz HBFGONCEZOARIP-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574448224 949182627 /nfs/dbraw/zinc/18/26/27/949182627.db2.gz GQRRBVORAFXGES-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574448224 949182639 /nfs/dbraw/zinc/18/26/39/949182639.db2.gz GQRRBVORAFXGES-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574448327 949183122 /nfs/dbraw/zinc/18/31/22/949183122.db2.gz IRGIJXBXSODJLW-TZMCWYRMSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1ocnc1CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574448327 949183137 /nfs/dbraw/zinc/18/31/37/949183137.db2.gz IRGIJXBXSODJLW-TZMCWYRMSA-N -1 3 386.416 0.281 20 0 GCADHM C[C@@H](CNC(=O)COc1ccc(F)cc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574934898 949184784 /nfs/dbraw/zinc/18/47/84/949184784.db2.gz ULUWEIVTKIBTEG-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CNC(=O)COc1ccc(F)cc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574934898 949184796 /nfs/dbraw/zinc/18/47/96/949184796.db2.gz ULUWEIVTKIBTEG-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574935013 949186744 /nfs/dbraw/zinc/18/67/44/949186744.db2.gz WZBLXKZZDASKST-NSHDSACASA-N -1 3 381.462 0.026 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574935012 949188287 /nfs/dbraw/zinc/18/82/87/949188287.db2.gz WZBLXKZZDASKST-LLVKDONJSA-N -1 3 381.462 0.026 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574448442 949188461 /nfs/dbraw/zinc/18/84/61/949188461.db2.gz LUDLKZCFIMTLMP-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574448442 949188468 /nfs/dbraw/zinc/18/84/68/949188468.db2.gz LUDLKZCFIMTLMP-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574698399 949190023 /nfs/dbraw/zinc/19/00/23/949190023.db2.gz KGCHBKVTDXICEH-QWRGUYRKSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574698399 949190028 /nfs/dbraw/zinc/19/00/28/949190028.db2.gz KGCHBKVTDXICEH-QWRGUYRKSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001575253533 949190507 /nfs/dbraw/zinc/19/05/07/949190507.db2.gz URMQTDGHHFXJAQ-NWDGAFQWSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001575253533 949190488 /nfs/dbraw/zinc/19/04/88/949190488.db2.gz URMQTDGHHFXJAQ-NWDGAFQWSA-N -1 3 382.428 0.834 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001573788106 949191861 /nfs/dbraw/zinc/19/18/61/949191861.db2.gz GLWMFHXDKVXBDA-NWDGAFQWSA-N -1 3 384.444 0.613 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001573788106 949191874 /nfs/dbraw/zinc/19/18/74/949191874.db2.gz GLWMFHXDKVXBDA-NWDGAFQWSA-N -1 3 384.444 0.613 20 0 GCADHM C[C@@H](CNC(=O)CS(C)(=O)=O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574935059 949192582 /nfs/dbraw/zinc/19/25/82/949192582.db2.gz YIKAACBZZGWPNE-QMMMGPOBSA-N -1 3 387.853 0.124 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574698616 949200881 /nfs/dbraw/zinc/20/08/81/949200881.db2.gz NAVNZYTXIZNDSC-DTWKUNHWSA-N -1 3 380.840 0.685 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574698616 949200903 /nfs/dbraw/zinc/20/09/03/949200903.db2.gz NAVNZYTXIZNDSC-DTWKUNHWSA-N -1 3 380.840 0.685 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CC[C@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573788738 949209530 /nfs/dbraw/zinc/20/95/30/949209530.db2.gz VLKGGUKTTZKQGR-JTQLQIEISA-N -1 3 390.423 0.563 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CC[C@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573788738 949209553 /nfs/dbraw/zinc/20/95/53/949209553.db2.gz VLKGGUKTTZKQGR-JTQLQIEISA-N -1 3 390.423 0.563 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576151221 949210653 /nfs/dbraw/zinc/21/06/53/949210653.db2.gz DSBFTRJUOXJJGR-SGTLLEGYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576151221 949210675 /nfs/dbraw/zinc/21/06/75/949210675.db2.gz DSBFTRJUOXJJGR-SGTLLEGYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576151176 949211707 /nfs/dbraw/zinc/21/17/07/949211707.db2.gz DGRHHQRRPLFGTF-DIFFPNOSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576151176 949211720 /nfs/dbraw/zinc/21/17/20/949211720.db2.gz DGRHHQRRPLFGTF-DIFFPNOSSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574451064 949212590 /nfs/dbraw/zinc/21/25/90/949212590.db2.gz AHHCUZLFWBMWNO-PHIMTYICSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574451064 949212615 /nfs/dbraw/zinc/21/26/15/949212615.db2.gz AHHCUZLFWBMWNO-PHIMTYICSA-N -1 3 384.400 0.997 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576151220 949212626 /nfs/dbraw/zinc/21/26/26/949212626.db2.gz DSBFTRJUOXJJGR-KZULUSFZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576151220 949212640 /nfs/dbraw/zinc/21/26/40/949212640.db2.gz DSBFTRJUOXJJGR-KZULUSFZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575255039 949219647 /nfs/dbraw/zinc/21/96/47/949219647.db2.gz OZYOELDVERITGB-JTQLQIEISA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575255039 949219669 /nfs/dbraw/zinc/21/96/69/949219669.db2.gz OZYOELDVERITGB-JTQLQIEISA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573791744 949223644 /nfs/dbraw/zinc/22/36/44/949223644.db2.gz DXWXXJCRVFHTKL-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573791744 949223667 /nfs/dbraw/zinc/22/36/67/949223667.db2.gz DXWXXJCRVFHTKL-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575255221 949226085 /nfs/dbraw/zinc/22/60/85/949226085.db2.gz YMWPRQZRKPKQBJ-QWHCGFSZSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575255221 949226107 /nfs/dbraw/zinc/22/61/07/949226107.db2.gz YMWPRQZRKPKQBJ-QWHCGFSZSA-N -1 3 388.476 0.678 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001573791603 949225786 /nfs/dbraw/zinc/22/57/86/949225786.db2.gz CVJJIAUXCRHRFH-ZDUSSCGKSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001573791603 949225806 /nfs/dbraw/zinc/22/58/06/949225806.db2.gz CVJJIAUXCRHRFH-ZDUSSCGKSA-N -1 3 385.476 0.426 20 0 GCADHM CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001575853914 949225918 /nfs/dbraw/zinc/22/59/18/949225918.db2.gz OSOSAXNPBPCRSV-UHFFFAOYSA-N -1 3 387.429 0.926 20 0 GCADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576151611 949230846 /nfs/dbraw/zinc/23/08/46/949230846.db2.gz HOJIAMOINNFQFH-VXGBXAGGSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576151611 949230853 /nfs/dbraw/zinc/23/08/53/949230853.db2.gz HOJIAMOINNFQFH-VXGBXAGGSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575255469 949231432 /nfs/dbraw/zinc/23/14/32/949231432.db2.gz QFOIXFJTEOEZDT-GWCFXTLKSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575255469 949231454 /nfs/dbraw/zinc/23/14/54/949231454.db2.gz QFOIXFJTEOEZDT-GWCFXTLKSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576151610 949232105 /nfs/dbraw/zinc/23/21/05/949232105.db2.gz HOJIAMOINNFQFH-TXEJJXNPSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576151610 949232123 /nfs/dbraw/zinc/23/21/23/949232123.db2.gz HOJIAMOINNFQFH-TXEJJXNPSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575255470 949233470 /nfs/dbraw/zinc/23/34/70/949233470.db2.gz QFOIXFJTEOEZDT-GXFFZTMASA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575255470 949233487 /nfs/dbraw/zinc/23/34/87/949233487.db2.gz QFOIXFJTEOEZDT-GXFFZTMASA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](NC(=O)C1(F)CCOCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575255605 949235163 /nfs/dbraw/zinc/23/51/63/949235163.db2.gz RDGCFCIYTVMOGW-JTQLQIEISA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](NC(=O)C1(F)CCOCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575255605 949235180 /nfs/dbraw/zinc/23/51/80/949235180.db2.gz RDGCFCIYTVMOGW-JTQLQIEISA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)cc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574938103 949238552 /nfs/dbraw/zinc/23/85/52/949238552.db2.gz RYQLJLRASOXUBQ-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)cc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574938103 949238573 /nfs/dbraw/zinc/23/85/73/949238573.db2.gz RYQLJLRASOXUBQ-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](c1nc(N)nc(Cl)n1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001575520948 949243851 /nfs/dbraw/zinc/24/38/51/949243851.db2.gz AUXQRBPIUXXXMJ-SECBINFHSA-N -1 3 387.839 0.566 20 0 GCADHM C[C@H](c1nc(N)nc(Cl)n1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001575520948 949243874 /nfs/dbraw/zinc/24/38/74/949243874.db2.gz AUXQRBPIUXXXMJ-SECBINFHSA-N -1 3 387.839 0.566 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574451733 949245492 /nfs/dbraw/zinc/24/54/92/949245492.db2.gz WGPJXONAVWZIQL-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574451733 949245508 /nfs/dbraw/zinc/24/55/08/949245508.db2.gz WGPJXONAVWZIQL-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)CC(=O)N1CC[C@@H](N2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001574103484 949247539 /nfs/dbraw/zinc/24/75/39/949247539.db2.gz UWUUNUJKBFXIAR-CQSZACIVSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)CC(=O)N1CC[C@@H](N2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001574103484 949247559 /nfs/dbraw/zinc/24/75/59/949247559.db2.gz UWUUNUJKBFXIAR-CQSZACIVSA-N -1 3 385.476 0.426 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575520992 949250127 /nfs/dbraw/zinc/25/01/27/949250127.db2.gz BUXCNZBNXWYTDE-LLVKDONJSA-N -1 3 384.448 0.669 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575520992 949250145 /nfs/dbraw/zinc/25/01/45/949250145.db2.gz BUXCNZBNXWYTDE-LLVKDONJSA-N -1 3 384.448 0.669 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574451814 949250472 /nfs/dbraw/zinc/25/04/72/949250472.db2.gz ZZOSLBLHXYEHMJ-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574451814 949250505 /nfs/dbraw/zinc/25/05/05/949250505.db2.gz ZZOSLBLHXYEHMJ-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576152324 949251214 /nfs/dbraw/zinc/25/12/14/949251214.db2.gz INVUOLRUUDMQDD-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576152324 949251231 /nfs/dbraw/zinc/25/12/31/949251231.db2.gz INVUOLRUUDMQDD-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](c1nncn1C)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575521191 949253236 /nfs/dbraw/zinc/25/32/36/949253236.db2.gz DHACPSMIOZQYCX-YPMHNXCESA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575521191 949253249 /nfs/dbraw/zinc/25/32/49/949253249.db2.gz DHACPSMIOZQYCX-YPMHNXCESA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001575521295 949256352 /nfs/dbraw/zinc/25/63/52/949256352.db2.gz FMXLWCRGMOBZQJ-WCFLWFBJSA-N -1 3 382.432 0.088 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001573792645 949260215 /nfs/dbraw/zinc/26/02/15/949260215.db2.gz SHRHENCAWUSBIE-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001573792645 949260234 /nfs/dbraw/zinc/26/02/34/949260234.db2.gz SHRHENCAWUSBIE-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)n1cc(C(=O)NCC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574452491 949263275 /nfs/dbraw/zinc/26/32/75/949263275.db2.gz KXVRLQHRUFHPOC-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1cc(C(=O)NCC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574452491 949263298 /nfs/dbraw/zinc/26/32/98/949263298.db2.gz KXVRLQHRUFHPOC-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM C[C@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574701813 949266549 /nfs/dbraw/zinc/26/65/49/949266549.db2.gz DYLCXYNKLAHOOY-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574701813 949266572 /nfs/dbraw/zinc/26/65/72/949266572.db2.gz DYLCXYNKLAHOOY-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575522009 949267683 /nfs/dbraw/zinc/26/76/83/949267683.db2.gz JPONCRHOVNLNJC-VXGBXAGGSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575522009 949267704 /nfs/dbraw/zinc/26/77/04/949267704.db2.gz JPONCRHOVNLNJC-VXGBXAGGSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153147 949274809 /nfs/dbraw/zinc/27/48/09/949274809.db2.gz KYBVLRQWCKZCDF-GXTWGEPZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153147 949274830 /nfs/dbraw/zinc/27/48/30/949274830.db2.gz KYBVLRQWCKZCDF-GXTWGEPZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)C(=O)C(=O)NCCCOCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573792988 949277224 /nfs/dbraw/zinc/27/72/24/949277224.db2.gz HNACITRAMNMAQT-UHFFFAOYSA-N -1 3 391.432 0.063 20 0 GCADHM CC(C)(C)C(=O)C(=O)NCCCOCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573792988 949277243 /nfs/dbraw/zinc/27/72/43/949277243.db2.gz HNACITRAMNMAQT-UHFFFAOYSA-N -1 3 391.432 0.063 20 0 GCADHM C[C@@H](c1cnccn1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575522460 949277347 /nfs/dbraw/zinc/27/73/47/949277347.db2.gz LTLHCXXWPBQBTB-HWWQOWPSSA-N -1 3 379.428 0.892 20 0 GCADHM CC(C)n1cc(C(=O)N(C)CCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001574453151 949277707 /nfs/dbraw/zinc/27/77/07/949277707.db2.gz XJNNAPGAJSGPBJ-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM CC(C)n1cc(C(=O)N(C)CCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001574453151 949277732 /nfs/dbraw/zinc/27/77/32/949277732.db2.gz XJNNAPGAJSGPBJ-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522541 949279461 /nfs/dbraw/zinc/27/94/61/949279461.db2.gz MNEZEBPLMGLTQG-RYUDHWBXSA-N -1 3 384.448 0.526 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522541 949279475 /nfs/dbraw/zinc/27/94/75/949279475.db2.gz MNEZEBPLMGLTQG-RYUDHWBXSA-N -1 3 384.448 0.526 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575522913 949279610 /nfs/dbraw/zinc/27/96/10/949279610.db2.gz NIXDCALZWRHBAV-VXGBXAGGSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522934 949279831 /nfs/dbraw/zinc/27/98/31/949279831.db2.gz NKSNMZCZZXEFLB-RYUDHWBXSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522934 949279855 /nfs/dbraw/zinc/27/98/55/949279855.db2.gz NKSNMZCZZXEFLB-RYUDHWBXSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@@H](NC(=O)C1CCC(O)CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575257841 949281550 /nfs/dbraw/zinc/28/15/50/949281550.db2.gz CEOHTZPHUUBVSC-CDWSIMAYSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)C1CCC(O)CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575257841 949281568 /nfs/dbraw/zinc/28/15/68/949281568.db2.gz CEOHTZPHUUBVSC-CDWSIMAYSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](c1nncn1C)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522534 949282786 /nfs/dbraw/zinc/28/27/86/949282786.db2.gz MNEZEBPLMGLTQG-NEPJUHHUSA-N -1 3 384.448 0.526 20 0 GCADHM C[C@H](c1nncn1C)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522534 949282808 /nfs/dbraw/zinc/28/28/08/949282808.db2.gz MNEZEBPLMGLTQG-NEPJUHHUSA-N -1 3 384.448 0.526 20 0 GCADHM CC(C)n1cc(C(=O)N(CCO)CCNc2ncccc2-c2nnn[n-]2)cn1 ZINC001574453197 949283647 /nfs/dbraw/zinc/28/36/47/949283647.db2.gz ZDVXFMUYCSGXOS-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)n1cc(C(=O)N(CCO)CCNc2ncccc2-c2nn[n-]n2)cn1 ZINC001574453197 949283665 /nfs/dbraw/zinc/28/36/65/949283665.db2.gz ZDVXFMUYCSGXOS-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)(C)C(=O)N1CC(N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573793050 949284154 /nfs/dbraw/zinc/28/41/54/949284154.db2.gz JHCWMGGZEVQKKW-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)(C)C(=O)N1CC(N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573793050 949284174 /nfs/dbraw/zinc/28/41/74/949284174.db2.gz JHCWMGGZEVQKKW-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575257824 949284905 /nfs/dbraw/zinc/28/49/05/949284905.db2.gz CBSIGDDWQZHBTG-WPRPVWTQSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575257824 949284927 /nfs/dbraw/zinc/28/49/27/949284927.db2.gz CBSIGDDWQZHBTG-WPRPVWTQSA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)(C)C(=O)Cn1cc(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)nn1 ZINC001573793126 949285127 /nfs/dbraw/zinc/28/51/27/949285127.db2.gz LZECNZMHANYOCO-CQSZACIVSA-N -1 3 394.439 0.971 20 0 GCADHM CC(C)(C)C(=O)Cn1cc(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)nn1 ZINC001573793126 949285151 /nfs/dbraw/zinc/28/51/51/949285151.db2.gz LZECNZMHANYOCO-CQSZACIVSA-N -1 3 394.439 0.971 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574453168 949285853 /nfs/dbraw/zinc/28/58/53/949285853.db2.gz XWLGAPGLIIOTNK-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574453168 949285866 /nfs/dbraw/zinc/28/58/66/949285866.db2.gz XWLGAPGLIIOTNK-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(CN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)nn1 ZINC001574454785 949289756 /nfs/dbraw/zinc/28/97/56/949289756.db2.gz DPIFVOHZGFCKJD-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)nn1 ZINC001574454785 949289779 /nfs/dbraw/zinc/28/97/79/949289779.db2.gz DPIFVOHZGFCKJD-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCC1(F)F)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575257922 949289721 /nfs/dbraw/zinc/28/97/21/949289721.db2.gz CUDLCIPQGQFLKL-GZMMTYOYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCC1(F)F)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575257922 949289741 /nfs/dbraw/zinc/28/97/41/949289741.db2.gz CUDLCIPQGQFLKL-GZMMTYOYSA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)n1cc(CN(C)CCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001574454784 949290351 /nfs/dbraw/zinc/29/03/51/949290351.db2.gz DMUBLJCLGSETNT-UHFFFAOYSA-N -1 3 386.464 0.961 20 0 GCADHM CC(C)n1cc(CN(C)CCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001574454784 949290368 /nfs/dbraw/zinc/29/03/68/949290368.db2.gz DMUBLJCLGSETNT-UHFFFAOYSA-N -1 3 386.464 0.961 20 0 GCADHM CC1=C(C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)CC1 ZINC001575860084 949291358 /nfs/dbraw/zinc/29/13/58/949291358.db2.gz CVPCKAWVPXDEGM-DAXOMENPSA-N -1 3 399.455 0.633 20 0 GCADHM CC1=C(C)C[C@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)CC1 ZINC001575860084 949291373 /nfs/dbraw/zinc/29/13/73/949291373.db2.gz CVPCKAWVPXDEGM-DAXOMENPSA-N -1 3 399.455 0.633 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575258225 949291735 /nfs/dbraw/zinc/29/17/35/949291735.db2.gz FSAADVJCALUOKE-CHWSQXEVSA-N -1 3 385.428 0.871 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575258225 949291755 /nfs/dbraw/zinc/29/17/55/949291755.db2.gz FSAADVJCALUOKE-CHWSQXEVSA-N -1 3 385.428 0.871 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575258227 949291881 /nfs/dbraw/zinc/29/18/81/949291881.db2.gz FSAADVJCALUOKE-QWHCGFSZSA-N -1 3 385.428 0.871 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575258227 949291897 /nfs/dbraw/zinc/29/18/97/949291897.db2.gz FSAADVJCALUOKE-QWHCGFSZSA-N -1 3 385.428 0.871 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573793338 949292283 /nfs/dbraw/zinc/29/22/83/949292283.db2.gz PCIGXIZSXYZYIL-NSHDSACASA-N -1 3 387.444 0.778 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573793338 949292305 /nfs/dbraw/zinc/29/23/05/949292305.db2.gz PCIGXIZSXYZYIL-NSHDSACASA-N -1 3 387.444 0.778 20 0 GCADHM C[C@H](c1nc(C2CC2)no1)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575523401 949293049 /nfs/dbraw/zinc/29/30/49/949293049.db2.gz PUBBHDUHTLBZCR-SECBINFHSA-N -1 3 383.416 0.973 20 0 GCADHM C[C@H](c1nc(C2CC2)no1)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575523401 949293071 /nfs/dbraw/zinc/29/30/71/949293071.db2.gz PUBBHDUHTLBZCR-SECBINFHSA-N -1 3 383.416 0.973 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575258226 949293510 /nfs/dbraw/zinc/29/35/10/949293510.db2.gz FSAADVJCALUOKE-OLZOCXBDSA-N -1 3 385.428 0.871 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575258226 949293530 /nfs/dbraw/zinc/29/35/30/949293530.db2.gz FSAADVJCALUOKE-OLZOCXBDSA-N -1 3 385.428 0.871 20 0 GCADHM CC(C)n1cc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574455014 949294247 /nfs/dbraw/zinc/29/42/47/949294247.db2.gz LHHQDIIQPAFGIJ-IAQYHMDHSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)n1cc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574455014 949294267 /nfs/dbraw/zinc/29/42/67/949294267.db2.gz LHHQDIIQPAFGIJ-IAQYHMDHSA-N -1 3 384.448 0.618 20 0 GCADHM C[C@@]12CN(C(=O)c3ncc(-c4nnn[n-]4)cc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC001575860207 949293997 /nfs/dbraw/zinc/29/39/97/949293997.db2.gz DHBFTVFKOHAKDC-GJZGRUSLSA-N -1 3 375.776 0.040 20 0 GCADHM C[C@@]12CN(C(=O)c3ncc(-c4nn[n-]n4)cc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC001575860207 949294011 /nfs/dbraw/zinc/29/40/11/949294011.db2.gz DHBFTVFKOHAKDC-GJZGRUSLSA-N -1 3 375.776 0.040 20 0 GCADHM C[C@H](CNC(=O)Cc1c[nH]cn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574941164 949294155 /nfs/dbraw/zinc/29/41/55/949294155.db2.gz BGYQAEXZJIFLJH-SECBINFHSA-N -1 3 375.824 0.822 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)S(=O)(=O)CCO1 ZINC001575860273 949297185 /nfs/dbraw/zinc/29/71/85/949297185.db2.gz GEVLUTPGJRIYSN-CYBMUJFWSA-N -1 3 375.410 0.647 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)S(=O)(=O)CCO1 ZINC001575860273 949297202 /nfs/dbraw/zinc/29/72/02/949297202.db2.gz GEVLUTPGJRIYSN-CYBMUJFWSA-N -1 3 375.410 0.647 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573793500 949297409 /nfs/dbraw/zinc/29/74/09/949297409.db2.gz SDZMUJNPWOGKMG-WDEREUQCSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573793500 949297430 /nfs/dbraw/zinc/29/74/30/949297430.db2.gz SDZMUJNPWOGKMG-WDEREUQCSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)n1cc(CNC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCC2)nn1 ZINC001574455180 949299267 /nfs/dbraw/zinc/29/92/67/949299267.db2.gz MGKDCJYHAIMXAK-UHFFFAOYSA-N -1 3 384.448 0.810 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575258433 949299149 /nfs/dbraw/zinc/29/91/49/949299149.db2.gz HJFZBEPVWMEHDA-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575258433 949299167 /nfs/dbraw/zinc/29/91/67/949299167.db2.gz HJFZBEPVWMEHDA-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)n1cc(CNC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCC2)nn1 ZINC001574455180 949299284 /nfs/dbraw/zinc/29/92/84/949299284.db2.gz MGKDCJYHAIMXAK-UHFFFAOYSA-N -1 3 384.448 0.810 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574455289 949299480 /nfs/dbraw/zinc/29/94/80/949299480.db2.gz NOVRCGLPBFEYNU-MGCOHNPYSA-N -1 3 384.404 0.058 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574455289 949299493 /nfs/dbraw/zinc/29/94/93/949299493.db2.gz NOVRCGLPBFEYNU-MGCOHNPYSA-N -1 3 384.404 0.058 20 0 GCADHM CC(C)n1cc(CN(C)CCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001574455235 949302314 /nfs/dbraw/zinc/30/23/14/949302314.db2.gz MZZSLXXHJGBGBO-UHFFFAOYSA-N -1 3 386.464 0.961 20 0 GCADHM CC(C)n1cc(CN(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001574455235 949302337 /nfs/dbraw/zinc/30/23/37/949302337.db2.gz MZZSLXXHJGBGBO-UHFFFAOYSA-N -1 3 386.464 0.961 20 0 GCADHM CC1=C(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)S(=O)(=O)CCO1 ZINC001575860468 949303866 /nfs/dbraw/zinc/30/38/66/949303866.db2.gz JDJNKZUAZVFHPH-UHFFFAOYSA-N -1 3 383.817 0.813 20 0 GCADHM CC1=C(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)S(=O)(=O)CCO1 ZINC001575860468 949303887 /nfs/dbraw/zinc/30/38/87/949303887.db2.gz JDJNKZUAZVFHPH-UHFFFAOYSA-N -1 3 383.817 0.813 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153865 949304599 /nfs/dbraw/zinc/30/45/99/949304599.db2.gz NNMXPIVWEQIGKZ-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153865 949304621 /nfs/dbraw/zinc/30/46/21/949304621.db2.gz NNMXPIVWEQIGKZ-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)n1cc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)nn1 ZINC001574455368 949305894 /nfs/dbraw/zinc/30/58/94/949305894.db2.gz PFSJRBUAIFULSC-RISCZKNCSA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)n1cc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)nn1 ZINC001574455368 949305911 /nfs/dbraw/zinc/30/59/11/949305911.db2.gz PFSJRBUAIFULSC-RISCZKNCSA-N -1 3 384.448 0.760 20 0 GCADHM CC1=C(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)Cn2nnnc2N1C ZINC001575860617 949305816 /nfs/dbraw/zinc/30/58/16/949305816.db2.gz KAIOOLAIIQKICF-UHFFFAOYSA-N -1 3 386.807 0.547 20 0 GCADHM CC1=C(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)Cn2nnnc2N1C ZINC001575860617 949305839 /nfs/dbraw/zinc/30/58/39/949305839.db2.gz KAIOOLAIIQKICF-UHFFFAOYSA-N -1 3 386.807 0.547 20 0 GCADHM C[C@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524088 949306137 /nfs/dbraw/zinc/30/61/37/949306137.db2.gz SDLFIIARLCALPF-SECBINFHSA-N -1 3 383.416 0.878 20 0 GCADHM C[C@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524088 949306154 /nfs/dbraw/zinc/30/61/54/949306154.db2.gz SDLFIIARLCALPF-SECBINFHSA-N -1 3 383.416 0.878 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575524073 949306681 /nfs/dbraw/zinc/30/66/81/949306681.db2.gz GJKUPHCNEUBNSX-NXEZZACHSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575524073 949306703 /nfs/dbraw/zinc/30/67/03/949306703.db2.gz GJKUPHCNEUBNSX-NXEZZACHSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@H](NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575258702 949307446 /nfs/dbraw/zinc/30/74/46/949307446.db2.gz JMVGMKKAYCNSSV-TUKIKUTGSA-N -1 3 380.412 0.474 20 0 GCADHM C[C@H](NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575258702 949307468 /nfs/dbraw/zinc/30/74/68/949307468.db2.gz JMVGMKKAYCNSSV-TUKIKUTGSA-N -1 3 380.412 0.474 20 0 GCADHM CC1=C(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001575860673 949310315 /nfs/dbraw/zinc/31/03/15/949310315.db2.gz KWWMBVBKJSPITK-LBPRGKRZSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001575860673 949310338 /nfs/dbraw/zinc/31/03/38/949310338.db2.gz KWWMBVBKJSPITK-LBPRGKRZSA-N -1 3 385.428 0.952 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001574455672 949313151 /nfs/dbraw/zinc/31/31/51/949313151.db2.gz VUHFUULXPJGYQU-XYPYZODXSA-N -1 3 384.404 0.058 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001574455672 949313173 /nfs/dbraw/zinc/31/31/73/949313173.db2.gz VUHFUULXPJGYQU-XYPYZODXSA-N -1 3 384.404 0.058 20 0 GCADHM CC1=C(C(=O)N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCCO1 ZINC001575860979 949314972 /nfs/dbraw/zinc/31/49/72/949314972.db2.gz OOZOQKOIHPKGLB-UHFFFAOYSA-N -1 3 385.428 0.954 20 0 GCADHM CC1=C(C(=O)N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCCO1 ZINC001575860979 949314989 /nfs/dbraw/zinc/31/49/89/949314989.db2.gz OOZOQKOIHPKGLB-UHFFFAOYSA-N -1 3 385.428 0.954 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575524478 949317685 /nfs/dbraw/zinc/31/76/85/949317685.db2.gz SYVABBXXHMEUQS-GXSJLCMTSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575524478 949317699 /nfs/dbraw/zinc/31/76/99/949317699.db2.gz SYVABBXXHMEUQS-GXSJLCMTSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524411 949318108 /nfs/dbraw/zinc/31/81/08/949318108.db2.gz IIEXHQRJDCJVQM-MWLCHTKSSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524411 949318133 /nfs/dbraw/zinc/31/81/33/949318133.db2.gz IIEXHQRJDCJVQM-MWLCHTKSSA-N -1 3 383.420 0.082 20 0 GCADHM CC1=C(C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCCO1 ZINC001575860984 949319290 /nfs/dbraw/zinc/31/92/90/949319290.db2.gz OVODXVKXKQVQJM-UHFFFAOYSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCCO1 ZINC001575860984 949319312 /nfs/dbraw/zinc/31/93/12/949319312.db2.gz OVODXVKXKQVQJM-UHFFFAOYSA-N -1 3 385.428 1.000 20 0 GCADHM CC(C)n1ccc(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001574457274 949319788 /nfs/dbraw/zinc/31/97/88/949319788.db2.gz FLBMTQBVKNMGBH-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)n1ccc(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001574457274 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/nfs/dbraw/zinc/34/94/26/949349426.db2.gz BKLKZQSXWSABDW-CQSZACIVSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574459349 949349442 /nfs/dbraw/zinc/34/94/42/949349442.db2.gz BKLKZQSXWSABDW-CQSZACIVSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573798389 949349801 /nfs/dbraw/zinc/34/98/01/949349801.db2.gz AZYHZSXSFTYNIE-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573798389 949349816 /nfs/dbraw/zinc/34/98/16/949349816.db2.gz AZYHZSXSFTYNIE-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CC(=O)N1CCN(C2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001574110130 949350558 /nfs/dbraw/zinc/35/05/58/949350558.db2.gz QWZQMFHQXWPKKM-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)CC(=O)N1CCN(C2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001574110130 949350576 /nfs/dbraw/zinc/35/05/76/949350576.db2.gz QWZQMFHQXWPKKM-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM C[C@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575525857 949353537 /nfs/dbraw/zinc/35/35/37/949353537.db2.gz RSBWYEAGKCFOGC-KRWDZBQOSA-N -1 3 375.433 0.311 20 0 GCADHM C[C@]1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575525857 949353558 /nfs/dbraw/zinc/35/35/58/949353558.db2.gz RSBWYEAGKCFOGC-KRWDZBQOSA-N -1 3 375.433 0.311 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576154706 949353593 /nfs/dbraw/zinc/35/35/93/949353593.db2.gz QZMWAMJCVWPQBD-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576154706 949353618 /nfs/dbraw/zinc/35/36/18/949353618.db2.gz QZMWAMJCVWPQBD-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nc2)CCCOC1 ZINC001575525731 949355372 /nfs/dbraw/zinc/35/53/72/949355372.db2.gz PYUJQKLFLZOVGX-QGZVFWFLSA-N -1 3 375.433 0.311 20 0 GCADHM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nc2)CCCOC1 ZINC001575525731 949355394 /nfs/dbraw/zinc/35/53/94/949355394.db2.gz PYUJQKLFLZOVGX-QGZVFWFLSA-N -1 3 375.433 0.311 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574459406 949356209 /nfs/dbraw/zinc/35/62/09/949356209.db2.gz FQLXLMZFGSIIFQ-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574459406 949356233 /nfs/dbraw/zinc/35/62/33/949356233.db2.gz FQLXLMZFGSIIFQ-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)CC(=O)N1CCN(CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574110262 949356893 /nfs/dbraw/zinc/35/68/93/949356893.db2.gz WTWJWZMZIVWUKA-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM CC(C)CC(=O)N1CCN(CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574110262 949356911 /nfs/dbraw/zinc/35/69/11/949356911.db2.gz WTWJWZMZIVWUKA-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574459446 949358925 /nfs/dbraw/zinc/35/89/25/949358925.db2.gz GSSADNMJKCWHMJ-TXEJJXNPSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574459446 949358943 /nfs/dbraw/zinc/35/89/43/949358943.db2.gz GSSADNMJKCWHMJ-TXEJJXNPSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)c1nnnn1C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575526271 949362573 /nfs/dbraw/zinc/36/25/73/949362573.db2.gz WWOSJPVKJVYYFZ-NSHDSACASA-N -1 3 387.452 0.262 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)c1nnnn1C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575526271 949362602 /nfs/dbraw/zinc/36/26/02/949362602.db2.gz WWOSJPVKJVYYFZ-NSHDSACASA-N -1 3 387.452 0.262 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576154856 949362805 /nfs/dbraw/zinc/36/28/05/949362805.db2.gz FWHRUQYGWLWXAV-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576154856 949362830 /nfs/dbraw/zinc/36/28/30/949362830.db2.gz FWHRUQYGWLWXAV-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC(C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575526404 949366336 /nfs/dbraw/zinc/36/63/36/949366336.db2.gz ZEPSPNCJQFSKSZ-SNVBAGLBSA-N -1 3 385.436 0.064 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC(C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575526404 949366358 /nfs/dbraw/zinc/36/63/58/949366358.db2.gz ZEPSPNCJQFSKSZ-SNVBAGLBSA-N -1 3 385.436 0.064 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260977 949367446 /nfs/dbraw/zinc/36/74/46/949367446.db2.gz ZAGGRTJCPWMGFR-MNOVXSKESA-N -1 3 387.400 0.050 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260977 949367465 /nfs/dbraw/zinc/36/74/65/949367465.db2.gz ZAGGRTJCPWMGFR-MNOVXSKESA-N -1 3 387.400 0.050 20 0 GCADHM CC(C)CC(=O)N[C@H](C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574111140 949373480 /nfs/dbraw/zinc/37/34/80/949373480.db2.gz FBWHLEGPLTXZID-BXUZGUMPSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N[C@H](C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574111140 949373497 /nfs/dbraw/zinc/37/34/97/949373497.db2.gz FBWHLEGPLTXZID-BXUZGUMPSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001574111476 949378224 /nfs/dbraw/zinc/37/82/24/949378224.db2.gz ICUHDEUBDQPFLA-RISCZKNCSA-N -1 3 387.444 0.450 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001574111476 949378244 /nfs/dbraw/zinc/37/82/44/949378244.db2.gz ICUHDEUBDQPFLA-RISCZKNCSA-N -1 3 387.444 0.450 20 0 GCADHM C[C@@](CNC(=O)Cc1cc[nH]n1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574943793 949378726 /nfs/dbraw/zinc/37/87/26/949378726.db2.gz YOYVYBPSLCJMIX-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)Cc1cc[nH]n1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574943793 949378747 /nfs/dbraw/zinc/37/87/47/949378747.db2.gz YOYVYBPSLCJMIX-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573799712 949381184 /nfs/dbraw/zinc/38/11/84/949381184.db2.gz QGUCUIFEKFJFPC-UHFFFAOYSA-N -1 3 390.423 0.212 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573799712 949381204 /nfs/dbraw/zinc/38/12/04/949381204.db2.gz QGUCUIFEKFJFPC-UHFFFAOYSA-N -1 3 390.423 0.212 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574460718 949382654 /nfs/dbraw/zinc/38/26/54/949382654.db2.gz YSKDIEASUQSJMC-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574460718 949382679 /nfs/dbraw/zinc/38/26/79/949382679.db2.gz YSKDIEASUQSJMC-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574463859 949386832 /nfs/dbraw/zinc/38/68/32/949386832.db2.gz DHMIPVHGKQEWBF-NSHDSACASA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574463859 949386851 /nfs/dbraw/zinc/38/68/51/949386851.db2.gz DHMIPVHGKQEWBF-NSHDSACASA-N -1 3 386.416 0.098 20 0 GCADHM C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263339 949391239 /nfs/dbraw/zinc/39/12/39/949391239.db2.gz GEIQXBNVUQYGLF-XPTSAGLGSA-N -1 3 389.391 0.051 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574704584 949397234 /nfs/dbraw/zinc/39/72/34/949397234.db2.gz DEDJGQBOBOILMV-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574704584 949397254 /nfs/dbraw/zinc/39/72/54/949397254.db2.gz DEDJGQBOBOILMV-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574944558 949399638 /nfs/dbraw/zinc/39/96/38/949399638.db2.gz FDVZEJYYPZGYQP-LBPRGKRZSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576155394 949399751 /nfs/dbraw/zinc/39/97/51/949399751.db2.gz UFGFCBDKHPPLFE-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576155394 949399773 /nfs/dbraw/zinc/39/97/73/949399773.db2.gz UFGFCBDKHPPLFE-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574944558 949399658 /nfs/dbraw/zinc/39/96/58/949399658.db2.gz FDVZEJYYPZGYQP-LBPRGKRZSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@@H](CNC(=O)Cc1cnn(C)c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574944878 949401182 /nfs/dbraw/zinc/40/11/82/949401182.db2.gz HRTSXSVEWWZPLD-LBPRGKRZSA-N -1 3 386.435 0.919 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575263694 949401947 /nfs/dbraw/zinc/40/19/47/949401947.db2.gz IUCJVXOFYHJTHX-BXUZGUMPSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575263694 949401963 /nfs/dbraw/zinc/40/19/63/949401963.db2.gz IUCJVXOFYHJTHX-BXUZGUMPSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574944836 949402536 /nfs/dbraw/zinc/40/25/36/949402536.db2.gz HCIVJAUGYFNKJY-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574944836 949402548 /nfs/dbraw/zinc/40/25/48/949402548.db2.gz HCIVJAUGYFNKJY-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575263806 949407525 /nfs/dbraw/zinc/40/75/25/949407525.db2.gz JTBVSAUBRWYMNA-RKDXNWHRSA-N -1 3 382.421 0.356 20 0 GCADHM C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575263806 949407539 /nfs/dbraw/zinc/40/75/39/949407539.db2.gz JTBVSAUBRWYMNA-RKDXNWHRSA-N -1 3 382.421 0.356 20 0 GCADHM C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575263761 949408523 /nfs/dbraw/zinc/40/85/23/949408523.db2.gz JGJVOEYJCWWQCL-MGNBDDOMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575263761 949408532 /nfs/dbraw/zinc/40/85/32/949408532.db2.gz JGJVOEYJCWWQCL-MGNBDDOMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573801954 949408815 /nfs/dbraw/zinc/40/88/15/949408815.db2.gz BBGVSHOMYWWWGE-JOCQHMNTSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573801954 949408827 /nfs/dbraw/zinc/40/88/27/949408827.db2.gz BBGVSHOMYWWWGE-JOCQHMNTSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574945493 949410595 /nfs/dbraw/zinc/41/05/95/949410595.db2.gz KUMPEQYBQIMYAF-JTQLQIEISA-N -1 3 382.432 0.418 20 0 GCADHM C[C@@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574945493 949410611 /nfs/dbraw/zinc/41/06/11/949410611.db2.gz KUMPEQYBQIMYAF-JTQLQIEISA-N -1 3 382.432 0.418 20 0 GCADHM C[C@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1nccnc1-c1nnn[n-]1 ZINC001574945494 949411092 /nfs/dbraw/zinc/41/10/92/949411092.db2.gz KUMPEQYBQIMYAF-SNVBAGLBSA-N -1 3 382.432 0.418 20 0 GCADHM C[C@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1nccnc1-c1nn[n-]n1 ZINC001574945494 949411102 /nfs/dbraw/zinc/41/11/02/949411102.db2.gz KUMPEQYBQIMYAF-SNVBAGLBSA-N -1 3 382.432 0.418 20 0 GCADHM C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575263896 949413430 /nfs/dbraw/zinc/41/34/30/949413430.db2.gz LEAYDHUAMICHLJ-MLCYQJTMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575263896 949413439 /nfs/dbraw/zinc/41/34/39/949413439.db2.gz LEAYDHUAMICHLJ-MLCYQJTMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573802423 949417226 /nfs/dbraw/zinc/41/72/26/949417226.db2.gz GTKUFUPIFRYDPH-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573802423 949417239 /nfs/dbraw/zinc/41/72/39/949417239.db2.gz GTKUFUPIFRYDPH-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001574114954 949418912 /nfs/dbraw/zinc/41/89/12/949418912.db2.gz YQPQOOHONVMLCT-ZDUSSCGKSA-N -1 3 391.407 0.028 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001574114954 949418925 /nfs/dbraw/zinc/41/89/25/949418925.db2.gz YQPQOOHONVMLCT-ZDUSSCGKSA-N -1 3 391.407 0.028 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574705270 949420077 /nfs/dbraw/zinc/42/00/77/949420077.db2.gz GYCFWUBGNXVMGG-GXFFZTMASA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574705270 949420089 /nfs/dbraw/zinc/42/00/89/949420089.db2.gz GYCFWUBGNXVMGG-GXFFZTMASA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCO1)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575264298 949421630 /nfs/dbraw/zinc/42/16/30/949421630.db2.gz NNZXYBDURFZCBQ-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCO1)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575264298 949421646 /nfs/dbraw/zinc/42/16/46/949421646.db2.gz NNZXYBDURFZCBQ-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576155910 949422771 /nfs/dbraw/zinc/42/27/71/949422771.db2.gz KJTRWXCNDNYFTQ-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576155910 949422779 /nfs/dbraw/zinc/42/27/79/949422779.db2.gz KJTRWXCNDNYFTQ-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)CCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574464698 949424610 /nfs/dbraw/zinc/42/46/10/949424610.db2.gz SJGKHVVMGBKXJO-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)CCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574464698 949424619 /nfs/dbraw/zinc/42/46/19/949424619.db2.gz SJGKHVVMGBKXJO-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573802848 949425303 /nfs/dbraw/zinc/42/53/03/949425303.db2.gz JWMYTEIGBKEQKM-TXEJJXNPSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573802848 949425323 /nfs/dbraw/zinc/42/53/23/949425323.db2.gz JWMYTEIGBKEQKM-TXEJJXNPSA-N -1 3 386.460 0.873 20 0 GCADHM CC1(C(=O)N2CC[C@@H](N3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)C2)CC1 ZINC001575534299 949427055 /nfs/dbraw/zinc/42/70/55/949427055.db2.gz MPABRYIUIFRANO-OAHLLOKOSA-N -1 3 382.472 0.785 20 0 GCADHM CC1(C(=O)N2CC[C@@H](N3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)C2)CC1 ZINC001575534299 949427078 /nfs/dbraw/zinc/42/70/78/949427078.db2.gz MPABRYIUIFRANO-OAHLLOKOSA-N -1 3 382.472 0.785 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573802910 949428847 /nfs/dbraw/zinc/42/88/47/949428847.db2.gz LTICVPQCLZTROZ-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573802910 949428859 /nfs/dbraw/zinc/42/88/59/949428859.db2.gz LTICVPQCLZTROZ-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001573802893 949431540 /nfs/dbraw/zinc/43/15/40/949431540.db2.gz KWKBSDNKTPPRNA-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001573802893 949431550 /nfs/dbraw/zinc/43/15/50/949431550.db2.gz KWKBSDNKTPPRNA-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575534813 949431875 /nfs/dbraw/zinc/43/18/75/949431875.db2.gz QDVGQYGXUMSQDS-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575534813 949431884 /nfs/dbraw/zinc/43/18/84/949431884.db2.gz QDVGQYGXUMSQDS-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574946288 949434581 /nfs/dbraw/zinc/43/45/81/949434581.db2.gz UOAZHDWMOPFLIK-LURJTMIESA-N -1 3 382.841 0.278 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574946288 949434592 /nfs/dbraw/zinc/43/45/92/949434592.db2.gz UOAZHDWMOPFLIK-LURJTMIESA-N -1 3 382.841 0.278 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574465175 949435747 /nfs/dbraw/zinc/43/57/47/949435747.db2.gz RJLFZCSEHROSFI-GFCCVEGCSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574465175 949435768 /nfs/dbraw/zinc/43/57/68/949435768.db2.gz RJLFZCSEHROSFI-GFCCVEGCSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001574465441 949437177 /nfs/dbraw/zinc/43/71/77/949437177.db2.gz YIYBPRTXSXYJES-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001574465441 949437191 /nfs/dbraw/zinc/43/71/91/949437191.db2.gz YIYBPRTXSXYJES-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574465433 949438396 /nfs/dbraw/zinc/43/83/96/949438396.db2.gz YHNUOVZLGCJBDK-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574465433 949438406 /nfs/dbraw/zinc/43/84/06/949438406.db2.gz YHNUOVZLGCJBDK-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)NCC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574465452 949439650 /nfs/dbraw/zinc/43/96/50/949439650.db2.gz YMFKQBBFVLKOQE-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1cnc(C(=O)NCC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574465452 949439664 /nfs/dbraw/zinc/43/96/64/949439664.db2.gz YMFKQBBFVLKOQE-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575265070 949442390 /nfs/dbraw/zinc/44/23/90/949442390.db2.gz SFORQELUUBSCCO-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575265070 949442409 /nfs/dbraw/zinc/44/24/09/949442409.db2.gz SFORQELUUBSCCO-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575265231 949443088 /nfs/dbraw/zinc/44/30/88/949443088.db2.gz SMGCPROSRHDQKJ-BXUZGUMPSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575265231 949443096 /nfs/dbraw/zinc/44/30/96/949443096.db2.gz SMGCPROSRHDQKJ-BXUZGUMPSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575265066 949443241 /nfs/dbraw/zinc/44/32/41/949443241.db2.gz SFORQELUUBSCCO-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575265066 949443253 /nfs/dbraw/zinc/44/32/53/949443253.db2.gz SFORQELUUBSCCO-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575265234 949444457 /nfs/dbraw/zinc/44/44/57/949444457.db2.gz SMGCPROSRHDQKJ-SMDDNHRTSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575265234 949444479 /nfs/dbraw/zinc/44/44/79/949444479.db2.gz SMGCPROSRHDQKJ-SMDDNHRTSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574705903 949444746 /nfs/dbraw/zinc/44/47/46/949444746.db2.gz KLEACFTTXSONTK-NEPJUHHUSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574705903 949444759 /nfs/dbraw/zinc/44/47/59/949444759.db2.gz KLEACFTTXSONTK-NEPJUHHUSA-N -1 3 387.448 0.311 20 0 GCADHM CC1(C(=O)N2CC[C@H](N3CCN(c4cnc(-c5nnn[n-]5)cn4)CC3)C2)CC1 ZINC001575535369 949445203 /nfs/dbraw/zinc/44/52/03/949445203.db2.gz VWNFULMCWHGVNR-ZDUSSCGKSA-N -1 3 383.460 0.180 20 0 GCADHM C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575265316 949446434 /nfs/dbraw/zinc/44/64/34/949446434.db2.gz UGEGBQFNKMCACY-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575265316 949446445 /nfs/dbraw/zinc/44/64/45/949446445.db2.gz UGEGBQFNKMCACY-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574466011 949447519 /nfs/dbraw/zinc/44/75/19/949447519.db2.gz ZLGDVOFINDSIJP-LBPRGKRZSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574466011 949447535 /nfs/dbraw/zinc/44/75/35/949447535.db2.gz ZLGDVOFINDSIJP-LBPRGKRZSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1nccc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001574467963 949448926 /nfs/dbraw/zinc/44/89/26/949448926.db2.gz BEOHXIAAAPGGNP-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)n1nccc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001574467963 949448945 /nfs/dbraw/zinc/44/89/45/949448945.db2.gz BEOHXIAAAPGGNP-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM C[C@]1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)CCNC1=O ZINC001575535544 949450255 /nfs/dbraw/zinc/45/02/55/949450255.db2.gz YJWSJDALGGBPMX-IBGZPJMESA-N -1 3 397.439 0.570 20 0 GCADHM C[C@]1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)CCNC1=O ZINC001575535544 949450268 /nfs/dbraw/zinc/45/02/68/949450268.db2.gz YJWSJDALGGBPMX-IBGZPJMESA-N -1 3 397.439 0.570 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574947813 949455058 /nfs/dbraw/zinc/45/50/58/949455058.db2.gz DLGAOLVCSTUCKJ-NSHDSACASA-N -1 3 382.432 0.595 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574947813 949455066 /nfs/dbraw/zinc/45/50/66/949455066.db2.gz DLGAOLVCSTUCKJ-NSHDSACASA-N -1 3 382.432 0.595 20 0 GCADHM C[C@H](CNC(=O)Cn1ccccc1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574947956 949457791 /nfs/dbraw/zinc/45/77/91/949457791.db2.gz GLBCNMXADZZMTO-SNVBAGLBSA-N -1 3 388.819 0.694 20 0 GCADHM C[C@H](CNC(=O)Cn1ccccc1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574947956 949457801 /nfs/dbraw/zinc/45/78/01/949457801.db2.gz GLBCNMXADZZMTO-SNVBAGLBSA-N -1 3 388.819 0.694 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)O1 ZINC001573804086 949462163 /nfs/dbraw/zinc/46/21/63/949462163.db2.gz SILWTEHNQDMMEB-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)O1 ZINC001573804086 949462175 /nfs/dbraw/zinc/46/21/75/949462175.db2.gz SILWTEHNQDMMEB-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574948400 949462737 /nfs/dbraw/zinc/46/27/37/949462737.db2.gz INQHHMWARSLLIH-JTQLQIEISA-N -1 3 375.824 0.753 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574948400 949462752 /nfs/dbraw/zinc/46/27/52/949462752.db2.gz INQHHMWARSLLIH-JTQLQIEISA-N -1 3 375.824 0.753 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575536382 949468178 /nfs/dbraw/zinc/46/81/78/949468178.db2.gz HZGQZEJVEQSBNT-VOJFVSQTSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575536382 949468193 /nfs/dbraw/zinc/46/81/93/949468193.db2.gz HZGQZEJVEQSBNT-VOJFVSQTSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574707630 949469741 /nfs/dbraw/zinc/46/97/41/949469741.db2.gz PCUNFODERPXQBC-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574707630 949469749 /nfs/dbraw/zinc/46/97/49/949469749.db2.gz PCUNFODERPXQBC-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575266298 949473164 /nfs/dbraw/zinc/47/31/64/949473164.db2.gz YHRCQBQSXYCBNQ-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575266298 949473186 /nfs/dbraw/zinc/47/31/86/949473186.db2.gz YHRCQBQSXYCBNQ-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574948743 949474190 /nfs/dbraw/zinc/47/41/90/949474190.db2.gz MGWOKGIOVIXMES-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574948743 949474205 /nfs/dbraw/zinc/47/42/05/949474205.db2.gz MGWOKGIOVIXMES-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574469236 949477669 /nfs/dbraw/zinc/47/76/69/949477669.db2.gz ZGFNYYYBCUUTNI-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574469236 949477683 /nfs/dbraw/zinc/47/76/83/949477683.db2.gz ZGFNYYYBCUUTNI-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1nccc1C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574469416 949481245 /nfs/dbraw/zinc/48/12/45/949481245.db2.gz DFORFLIGSGWZMY-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1nccc1C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574469416 949481255 /nfs/dbraw/zinc/48/12/55/949481255.db2.gz DFORFLIGSGWZMY-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574469833 949485053 /nfs/dbraw/zinc/48/50/53/949485053.db2.gz HZNPBEUOZLPUBP-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574469833 949485069 /nfs/dbraw/zinc/48/50/69/949485069.db2.gz HZNPBEUOZLPUBP-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574708209 949487172 /nfs/dbraw/zinc/48/71/72/949487172.db2.gz UDDKQGOXDYDRPZ-MNOVXSKESA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574708209 949487186 /nfs/dbraw/zinc/48/71/86/949487186.db2.gz UDDKQGOXDYDRPZ-MNOVXSKESA-N -1 3 375.408 0.791 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575537187 949488400 /nfs/dbraw/zinc/48/84/00/949488400.db2.gz SXZWRXRHUDZBMZ-BLLLJJGKSA-N -1 3 392.441 0.209 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575537187 949488421 /nfs/dbraw/zinc/48/84/21/949488421.db2.gz SXZWRXRHUDZBMZ-BLLLJJGKSA-N -1 3 392.441 0.209 20 0 GCADHM CC(C)n1nccc1C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574470015 949490268 /nfs/dbraw/zinc/49/02/68/949490268.db2.gz KJSUCXADOMRQHR-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1nccc1C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574470015 949490283 /nfs/dbraw/zinc/49/02/83/949490283.db2.gz KJSUCXADOMRQHR-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573806515 949490769 /nfs/dbraw/zinc/49/07/69/949490769.db2.gz RVYGCCDHYONQHW-CHWSQXEVSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573806515 949490782 /nfs/dbraw/zinc/49/07/82/949490782.db2.gz RVYGCCDHYONQHW-CHWSQXEVSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573806770 949492435 /nfs/dbraw/zinc/49/24/35/949492435.db2.gz VLHQHNAYTLPJEB-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573806770 949492448 /nfs/dbraw/zinc/49/24/48/949492448.db2.gz VLHQHNAYTLPJEB-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncccn1 ZINC001573807926 949496620 /nfs/dbraw/zinc/49/66/20/949496620.db2.gz ACTRMZRJQNYPBP-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncccn1 ZINC001573807926 949496635 /nfs/dbraw/zinc/49/66/35/949496635.db2.gz ACTRMZRJQNYPBP-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573806927 949497295 /nfs/dbraw/zinc/49/72/95/949497295.db2.gz YCPGIPGOJRUOHF-CHWSQXEVSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573806927 949497304 /nfs/dbraw/zinc/49/73/04/949497304.db2.gz YCPGIPGOJRUOHF-CHWSQXEVSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@](CO)(Nc3ncccc3-c3nnn[n-]3)C2)CCOC1 ZINC001575537763 949501961 /nfs/dbraw/zinc/50/19/61/949501961.db2.gz AVQIWAYGGHDLAM-ROUUACIJSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@](CO)(Nc3ncccc3-c3nn[n-]n3)C2)CCOC1 ZINC001575537763 949501978 /nfs/dbraw/zinc/50/19/78/949501978.db2.gz AVQIWAYGGHDLAM-ROUUACIJSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575537902 949505886 /nfs/dbraw/zinc/50/58/86/949505886.db2.gz BRFFBHHOXUMXSR-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575537902 949505903 /nfs/dbraw/zinc/50/59/03/949505903.db2.gz BRFFBHHOXUMXSR-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001574120784 949507776 /nfs/dbraw/zinc/50/77/76/949507776.db2.gz MPALJNIKSILKFS-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001574120784 949507794 /nfs/dbraw/zinc/50/77/94/949507794.db2.gz MPALJNIKSILKFS-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1ccon1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808132 949509532 /nfs/dbraw/zinc/50/95/32/949509532.db2.gz CRNJWGWHFHWMJC-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1ccon1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808132 949509541 /nfs/dbraw/zinc/50/95/41/949509541.db2.gz CRNJWGWHFHWMJC-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ncc[nH]1 ZINC001573808018 949510007 /nfs/dbraw/zinc/51/00/07/949510007.db2.gz CKVOCLIEAGCOAK-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ncc[nH]1 ZINC001573808018 949510018 /nfs/dbraw/zinc/51/00/18/949510018.db2.gz CKVOCLIEAGCOAK-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575267981 949511165 /nfs/dbraw/zinc/51/11/65/949511165.db2.gz KXPDEIQJQMPRTB-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575267981 949511178 /nfs/dbraw/zinc/51/11/78/949511178.db2.gz KXPDEIQJQMPRTB-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@]1(C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)CCOC1 ZINC001575538131 949512361 /nfs/dbraw/zinc/51/23/61/949512361.db2.gz CPBDSPQEJHBITL-QGZVFWFLSA-N -1 3 385.428 0.296 20 0 GCADHM C[C@@]1(C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)CCOC1 ZINC001575538131 949512374 /nfs/dbraw/zinc/51/23/74/949512374.db2.gz CPBDSPQEJHBITL-QGZVFWFLSA-N -1 3 385.428 0.296 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808218 949513237 /nfs/dbraw/zinc/51/32/37/949513237.db2.gz FAOQRAAQDCPEPM-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808218 949513252 /nfs/dbraw/zinc/51/32/52/949513252.db2.gz FAOQRAAQDCPEPM-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575267998 949513858 /nfs/dbraw/zinc/51/38/58/949513858.db2.gz LFEYHTRVVALLLH-UWVGGRQHSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575267998 949513876 /nfs/dbraw/zinc/51/38/76/949513876.db2.gz LFEYHTRVVALLLH-UWVGGRQHSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001574949871 949514726 /nfs/dbraw/zinc/51/47/26/949514726.db2.gz FSLZXPSMUMZOFO-VIFPVBQESA-N -1 3 392.420 0.693 20 0 GCADHM C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001574949871 949514740 /nfs/dbraw/zinc/51/47/40/949514740.db2.gz FSLZXPSMUMZOFO-VIFPVBQESA-N -1 3 392.420 0.693 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCOC1 ZINC001573808398 949515015 /nfs/dbraw/zinc/51/50/15/949515015.db2.gz FXSHHZCPUGQWNF-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCOC1 ZINC001573808398 949515026 /nfs/dbraw/zinc/51/50/26/949515026.db2.gz FXSHHZCPUGQWNF-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](NC(=O)C[C@H]1CCCCO1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575268325 949517064 /nfs/dbraw/zinc/51/70/64/949517064.db2.gz NEUNLXKYJHHZKL-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C[C@H]1CCCCO1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575268325 949517078 /nfs/dbraw/zinc/51/70/78/949517078.db2.gz NEUNLXKYJHHZKL-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573808502 949519996 /nfs/dbraw/zinc/51/99/96/949519996.db2.gz GOGTTXOJNAKCJF-IMQJOWEQSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573808502 949520010 /nfs/dbraw/zinc/52/00/10/949520010.db2.gz GOGTTXOJNAKCJF-IMQJOWEQSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574710951 949520685 /nfs/dbraw/zinc/52/06/85/949520685.db2.gz CMBXPTNHDAADBN-JOYOIKCWSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574710951 949520701 /nfs/dbraw/zinc/52/07/01/949520701.db2.gz CMBXPTNHDAADBN-JOYOIKCWSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)NC(N)=O ZINC001574471080 949521795 /nfs/dbraw/zinc/52/17/95/949521795.db2.gz IVDVXKTZVDWTCZ-GWCFXTLKSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)NC(N)=O ZINC001574471080 949521812 /nfs/dbraw/zinc/52/18/12/949521812.db2.gz IVDVXKTZVDWTCZ-GWCFXTLKSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574711090 949521868 /nfs/dbraw/zinc/52/18/68/949521868.db2.gz DBGIVYMOESUEOS-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574711090 949521887 /nfs/dbraw/zinc/52/18/87/949521887.db2.gz DBGIVYMOESUEOS-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808734 949523196 /nfs/dbraw/zinc/52/31/96/949523196.db2.gz JDNGXBKJDLTKJK-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808734 949523204 /nfs/dbraw/zinc/52/32/04/949523204.db2.gz JDNGXBKJDLTKJK-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C1=COCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808655 949524564 /nfs/dbraw/zinc/52/45/64/949524564.db2.gz HTYDYXJHZIRFPB-CYBMUJFWSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C1=COCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808655 949524574 /nfs/dbraw/zinc/52/45/74/949524574.db2.gz HTYDYXJHZIRFPB-CYBMUJFWSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574122488 949525163 /nfs/dbraw/zinc/52/51/63/949525163.db2.gz XVTJHNZYCVAJGQ-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574122488 949525180 /nfs/dbraw/zinc/52/51/80/949525180.db2.gz XVTJHNZYCVAJGQ-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575538660 949525799 /nfs/dbraw/zinc/52/57/99/949525799.db2.gz IHIGALUGQZVHIK-SGTLLEGYSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575538660 949525819 /nfs/dbraw/zinc/52/58/19/949525819.db2.gz IHIGALUGQZVHIK-SGTLLEGYSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575871864 949526107 /nfs/dbraw/zinc/52/61/07/949526107.db2.gz CRPWPUWITIGCMF-DGCLKSJQSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575871864 949526114 /nfs/dbraw/zinc/52/61/14/949526114.db2.gz CRPWPUWITIGCMF-DGCLKSJQSA-N -1 3 387.444 0.609 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574122444 949526542 /nfs/dbraw/zinc/52/65/42/949526542.db2.gz WNDBFSHGDOPQFF-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574122444 949526562 /nfs/dbraw/zinc/52/65/62/949526562.db2.gz WNDBFSHGDOPQFF-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808987 949526440 /nfs/dbraw/zinc/52/64/40/949526440.db2.gz KHLYWESTSYEVII-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808987 949526456 /nfs/dbraw/zinc/52/64/56/949526456.db2.gz KHLYWESTSYEVII-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C1=COCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808974 949529189 /nfs/dbraw/zinc/52/91/89/949529189.db2.gz KCPPMDLBBMRRLP-CYBMUJFWSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C1=COCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808974 949529205 /nfs/dbraw/zinc/52/92/05/949529205.db2.gz KCPPMDLBBMRRLP-CYBMUJFWSA-N -1 3 389.416 0.344 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575872072 949532465 /nfs/dbraw/zinc/53/24/65/949532465.db2.gz FSTNTWBVXKWTMF-LDYMZIIASA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575872072 949532486 /nfs/dbraw/zinc/53/24/86/949532486.db2.gz FSTNTWBVXKWTMF-LDYMZIIASA-N -1 3 379.371 0.959 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711272 949532433 /nfs/dbraw/zinc/53/24/33/949532433.db2.gz FSNALQWOORGVHA-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711272 949532446 /nfs/dbraw/zinc/53/24/46/949532446.db2.gz FSNALQWOORGVHA-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872094 949533002 /nfs/dbraw/zinc/53/30/02/949533002.db2.gz GGIZRIDSBFNJDK-JQWIXIFHSA-N -1 3 375.433 0.465 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccnn1 ZINC001573809057 949533122 /nfs/dbraw/zinc/53/31/22/949533122.db2.gz LZNFRYSXTHSAHY-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccnn1 ZINC001573809057 949533137 /nfs/dbraw/zinc/53/31/37/949533137.db2.gz LZNFRYSXTHSAHY-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872094 949533015 /nfs/dbraw/zinc/53/30/15/949533015.db2.gz GGIZRIDSBFNJDK-JQWIXIFHSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576163532 949533911 /nfs/dbraw/zinc/53/39/11/949533911.db2.gz BPNMRGZOIWTWEG-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576163532 949533935 /nfs/dbraw/zinc/53/39/35/949533935.db2.gz BPNMRGZOIWTWEG-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001573809208 949534192 /nfs/dbraw/zinc/53/41/92/949534192.db2.gz NCLRWXWGAMIBFW-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001573809208 949534208 /nfs/dbraw/zinc/53/42/08/949534208.db2.gz NCLRWXWGAMIBFW-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2=COCCO2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872153 949538315 /nfs/dbraw/zinc/53/83/15/949538315.db2.gz GYKATSMVYKHVND-CMPLNLGQSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2=COCCO2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872153 949538333 /nfs/dbraw/zinc/53/83/33/949538333.db2.gz GYKATSMVYKHVND-CMPLNLGQSA-N -1 3 387.400 0.192 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001574950508 949540423 /nfs/dbraw/zinc/54/04/23/949540423.db2.gz QFBQIWNOJMLBJP-NSHDSACASA-N -1 3 385.436 0.236 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001574950508 949540434 /nfs/dbraw/zinc/54/04/34/949540434.db2.gz QFBQIWNOJMLBJP-NSHDSACASA-N -1 3 385.436 0.236 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574950695 949542601 /nfs/dbraw/zinc/54/26/01/949542601.db2.gz SDVQNMIGFJDNGS-NSHDSACASA-N -1 3 385.436 0.236 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574950695 949542622 /nfs/dbraw/zinc/54/26/22/949542622.db2.gz SDVQNMIGFJDNGS-NSHDSACASA-N -1 3 385.436 0.236 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](N(CCO)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001575539307 949544153 /nfs/dbraw/zinc/54/41/53/949544153.db2.gz OIUZFPXGTKJHCL-GFCCVEGCSA-N -1 3 387.444 0.420 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](N(CCO)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001575539307 949544163 /nfs/dbraw/zinc/54/41/63/949544163.db2.gz OIUZFPXGTKJHCL-GFCCVEGCSA-N -1 3 387.444 0.420 20 0 GCADHM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nc1)NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001576164192 949544765 /nfs/dbraw/zinc/54/47/65/949544765.db2.gz DYIRDQMZGCPVSD-OLZOCXBDSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nc1)NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001576164192 949544783 /nfs/dbraw/zinc/54/47/83/949544783.db2.gz DYIRDQMZGCPVSD-OLZOCXBDSA-N -1 3 386.460 0.461 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCOC1 ZINC001573809565 949546478 /nfs/dbraw/zinc/54/64/78/949546478.db2.gz SNSPFXCWSMSPBT-GWCFXTLKSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCOC1 ZINC001573809565 949546488 /nfs/dbraw/zinc/54/64/88/949546488.db2.gz SNSPFXCWSMSPBT-GWCFXTLKSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576164239 949547884 /nfs/dbraw/zinc/54/78/84/949547884.db2.gz FSFMGJQEEZHNDE-RISCZKNCSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576164239 949547908 /nfs/dbraw/zinc/54/79/08/949547908.db2.gz FSFMGJQEEZHNDE-RISCZKNCSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1=COCCO1 ZINC001573809503 949549036 /nfs/dbraw/zinc/54/90/36/949549036.db2.gz QSMQQAPMUFAFMF-ZDUSSCGKSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1=COCCO1 ZINC001573809503 949549057 /nfs/dbraw/zinc/54/90/57/949549057.db2.gz QSMQQAPMUFAFMF-ZDUSSCGKSA-N -1 3 389.416 0.344 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576164196 949551035 /nfs/dbraw/zinc/55/10/35/949551035.db2.gz FAIAOYBEHYWEHM-IUODEOHRSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576164196 949551050 /nfs/dbraw/zinc/55/10/50/949551050.db2.gz FAIAOYBEHYWEHM-IUODEOHRSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575539725 949553409 /nfs/dbraw/zinc/55/34/09/949553409.db2.gz SHBPFMMEAWVKMB-MSOLQXFVSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575539725 949553423 /nfs/dbraw/zinc/55/34/23/949553423.db2.gz SHBPFMMEAWVKMB-MSOLQXFVSA-N -1 3 387.444 0.454 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnsn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809730 949553885 /nfs/dbraw/zinc/55/38/85/949553885.db2.gz ULZGBRQHRVJDPH-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnsn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809730 949553897 /nfs/dbraw/zinc/55/38/97/949553897.db2.gz ULZGBRQHRVJDPH-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576164543 949553775 /nfs/dbraw/zinc/55/37/75/949553775.db2.gz HANPYMUNJKOOPO-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576164543 949553795 /nfs/dbraw/zinc/55/37/95/949553795.db2.gz HANPYMUNJKOOPO-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575872737 949555653 /nfs/dbraw/zinc/55/56/53/949555653.db2.gz LEJHVSQAZFCRMV-NEPJUHHUSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575269632 949555819 /nfs/dbraw/zinc/55/58/19/949555819.db2.gz VZXFWHNBGDEXRH-ZYHUDNBSSA-N -1 3 389.485 0.533 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575872737 949555666 /nfs/dbraw/zinc/55/56/66/949555666.db2.gz LEJHVSQAZFCRMV-NEPJUHHUSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575269630 949556345 /nfs/dbraw/zinc/55/63/45/949556345.db2.gz VZXFWHNBGDEXRH-JQWIXIFHSA-N -1 3 389.485 0.533 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575269537 949556832 /nfs/dbraw/zinc/55/68/32/949556832.db2.gz VOLSFZIAIRHMFU-ZJUUUORDSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575269537 949556849 /nfs/dbraw/zinc/55/68/49/949556849.db2.gz VOLSFZIAIRHMFU-ZJUUUORDSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](NC(=O)CC1(C)CC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575269686 949561390 /nfs/dbraw/zinc/56/13/90/949561390.db2.gz WKKVSIZQAZCXOY-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC1(C)CC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575269686 949561404 /nfs/dbraw/zinc/56/14/04/949561404.db2.gz WKKVSIZQAZCXOY-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)n1nnc(NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001574473148 949561996 /nfs/dbraw/zinc/56/19/96/949561996.db2.gz YMMKMOKZGVQLTN-UHFFFAOYSA-N -1 3 398.435 0.620 20 0 GCADHM CC(C)n1nnc(NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001574473148 949562014 /nfs/dbraw/zinc/56/20/14/949562014.db2.gz YMMKMOKZGVQLTN-UHFFFAOYSA-N -1 3 398.435 0.620 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnsn1 ZINC001573810043 949562382 /nfs/dbraw/zinc/56/23/82/949562382.db2.gz YCRSYLAYOAZARR-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnsn1 ZINC001573810043 949562392 /nfs/dbraw/zinc/56/23/92/949562392.db2.gz YCRSYLAYOAZARR-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncccn1 ZINC001573810045 949562634 /nfs/dbraw/zinc/56/26/34/949562634.db2.gz YCUFXFKVLUURAS-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncccn1 ZINC001573810045 949562651 /nfs/dbraw/zinc/56/26/51/949562651.db2.gz YCUFXFKVLUURAS-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001576164937 949564449 /nfs/dbraw/zinc/56/44/49/949564449.db2.gz INIKLEMEZWNFHY-JOYOIKCWSA-N -1 3 376.396 0.315 20 0 GCADHM C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001576164937 949564457 /nfs/dbraw/zinc/56/44/57/949564457.db2.gz INIKLEMEZWNFHY-JOYOIKCWSA-N -1 3 376.396 0.315 20 0 GCADHM C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001576164938 949565741 /nfs/dbraw/zinc/56/57/41/949565741.db2.gz INIKLEMEZWNFHY-SKDRFNHKSA-N -1 3 376.396 0.315 20 0 GCADHM C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001576164938 949565761 /nfs/dbraw/zinc/56/57/61/949565761.db2.gz INIKLEMEZWNFHY-SKDRFNHKSA-N -1 3 376.396 0.315 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cncnc1 ZINC001573810069 949566411 /nfs/dbraw/zinc/56/64/11/949566411.db2.gz YLNRDQFZLMGVQE-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cncnc1 ZINC001573810069 949566426 /nfs/dbraw/zinc/56/64/26/949566426.db2.gz YLNRDQFZLMGVQE-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C)C1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001576165326 949567592 /nfs/dbraw/zinc/56/75/92/949567592.db2.gz JPVCSMZUCKTCPL-STQMWFEESA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C)C1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001576165326 949567610 /nfs/dbraw/zinc/56/76/10/949567610.db2.gz JPVCSMZUCKTCPL-STQMWFEESA-N -1 3 386.460 0.461 20 0 GCADHM CC1(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(-c4nnn[n-]4)c[nH]2)CCO3)CC1 ZINC001575540420 949568097 /nfs/dbraw/zinc/56/80/97/949568097.db2.gz XKUZTHNVSHILSN-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(-c4nn[n-]n4)c[nH]2)CCO3)CC1 ZINC001575540420 949568110 /nfs/dbraw/zinc/56/81/10/949568110.db2.gz XKUZTHNVSHILSN-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccncn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810114 949568793 /nfs/dbraw/zinc/56/87/93/949568793.db2.gz ZGXAWAZWSJSIPF-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccncn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810114 949568809 /nfs/dbraw/zinc/56/88/09/949568809.db2.gz ZGXAWAZWSJSIPF-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC1(C(=O)N2CC[C@]3(C2)CN(C(=O)c2c[nH]c(-c4nnn[n-]4)c2)CCO3)CC1 ZINC001575540294 949568980 /nfs/dbraw/zinc/56/89/80/949568980.db2.gz WRSOFHRWPRVWRR-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CC[C@]3(C2)CN(C(=O)c2c[nH]c(-c4nn[n-]n4)c2)CCO3)CC1 ZINC001575540294 949568995 /nfs/dbraw/zinc/56/89/95/949568995.db2.gz WRSOFHRWPRVWRR-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CCC[C@H](N(CCO)c3ncc(-c4nnn[n-]4)cc3F)C2)CC1 ZINC001575540875 949574673 /nfs/dbraw/zinc/57/46/73/949574673.db2.gz ZTGVUFRXSBBKNB-ZDUSSCGKSA-N -1 3 389.435 0.991 20 0 GCADHM CC1(C(=O)N2CCC[C@H](N(CCO)c3ncc(-c4nn[n-]n4)cc3F)C2)CC1 ZINC001575540875 949574689 /nfs/dbraw/zinc/57/46/89/949574689.db2.gz ZTGVUFRXSBBKNB-ZDUSSCGKSA-N -1 3 389.435 0.991 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575270185 949577644 /nfs/dbraw/zinc/57/76/44/949577644.db2.gz YJQGKTVNZKBZMK-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576166425 949577760 /nfs/dbraw/zinc/57/77/60/949577760.db2.gz LODDSFRRQDTNTO-OLZOCXBDSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576166425 949577770 /nfs/dbraw/zinc/57/77/70/949577770.db2.gz LODDSFRRQDTNTO-OLZOCXBDSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575270185 949577664 /nfs/dbraw/zinc/57/76/64/949577664.db2.gz YJQGKTVNZKBZMK-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576166392 949578553 /nfs/dbraw/zinc/57/85/53/949578553.db2.gz LCDXZABXZUXJKS-WFASDCNBSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576166392 949578563 /nfs/dbraw/zinc/57/85/63/949578563.db2.gz LCDXZABXZUXJKS-WFASDCNBSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575873479 949582925 /nfs/dbraw/zinc/58/29/25/949582925.db2.gz PMJZXNSBMJVREM-MNOVXSKESA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575873479 949582932 /nfs/dbraw/zinc/58/29/32/949582932.db2.gz PMJZXNSBMJVREM-MNOVXSKESA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H](NC(=O)CCCn1cncn1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575270367 949585301 /nfs/dbraw/zinc/58/53/01/949585301.db2.gz CIZXQMRXJOHCIJ-QWRGUYRKSA-N -1 3 388.411 0.778 20 0 GCADHM C[C@H](NC(=O)CCCn1cncn1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575270367 949585317 /nfs/dbraw/zinc/58/53/17/949585317.db2.gz CIZXQMRXJOHCIJ-QWRGUYRKSA-N -1 3 388.411 0.778 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)CCNC(=O)C1 ZINC001575544816 949586870 /nfs/dbraw/zinc/58/68/70/949586870.db2.gz GGHNIWAWYKJACK-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)CCNC(=O)C1 ZINC001575544816 949586885 /nfs/dbraw/zinc/58/68/85/949586885.db2.gz GGHNIWAWYKJACK-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574712750 949587848 /nfs/dbraw/zinc/58/78/48/949587848.db2.gz UEXMBAQSRQBMOK-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574712750 949587873 /nfs/dbraw/zinc/58/78/73/949587873.db2.gz UEXMBAQSRQBMOK-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575270345 949588040 /nfs/dbraw/zinc/58/80/40/949588040.db2.gz CHXPSWYUJCVDSW-SNVBAGLBSA-N -1 3 377.474 0.520 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575873711 949588833 /nfs/dbraw/zinc/58/88/33/949588833.db2.gz CARXZWWVENJBTJ-TZMCWYRMSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575873711 949588846 /nfs/dbraw/zinc/58/88/46/949588846.db2.gz CARXZWWVENJBTJ-TZMCWYRMSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574712753 949591129 /nfs/dbraw/zinc/59/11/29/949591129.db2.gz UEXMBAQSRQBMOK-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574712753 949591145 /nfs/dbraw/zinc/59/11/45/949591145.db2.gz UEXMBAQSRQBMOK-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCOC1 ZINC001575545119 949591718 /nfs/dbraw/zinc/59/17/18/949591718.db2.gz IFNAHUJRRNBJOQ-KBXCAEBGSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCOC1 ZINC001575545119 949591743 /nfs/dbraw/zinc/59/17/43/949591743.db2.gz IFNAHUJRRNBJOQ-KBXCAEBGSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574476195 949592514 /nfs/dbraw/zinc/59/25/14/949592514.db2.gz BPUDGZXWQMZUHJ-APPDUMDISA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574476195 949592533 /nfs/dbraw/zinc/59/25/33/949592533.db2.gz BPUDGZXWQMZUHJ-APPDUMDISA-N -1 3 387.448 0.359 20 0 GCADHM C[C@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCOC1 ZINC001575545123 949593567 /nfs/dbraw/zinc/59/35/67/949593567.db2.gz IFNAHUJRRNBJOQ-KSSFIOAISA-N -1 3 387.444 0.718 20 0 GCADHM C[C@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCOC1 ZINC001575545123 949593580 /nfs/dbraw/zinc/59/35/80/949593580.db2.gz IFNAHUJRRNBJOQ-KSSFIOAISA-N -1 3 387.444 0.718 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576166994 949594732 /nfs/dbraw/zinc/59/47/32/949594732.db2.gz OBLRKZFEQHLFJI-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576166994 949594748 /nfs/dbraw/zinc/59/47/48/949594748.db2.gz OBLRKZFEQHLFJI-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1COCCO1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574713129 949596127 /nfs/dbraw/zinc/59/61/27/949596127.db2.gz VZDXURNWVIGYSA-SKDRFNHKSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1COCCO1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574713129 949596145 /nfs/dbraw/zinc/59/61/45/949596145.db2.gz VZDXURNWVIGYSA-SKDRFNHKSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576167025 949599808 /nfs/dbraw/zinc/59/98/08/949599808.db2.gz OJYJTGJMVGNYKS-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576167025 949599827 /nfs/dbraw/zinc/59/98/27/949599827.db2.gz OJYJTGJMVGNYKS-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CCNC(=O)C1 ZINC001575545580 949600244 /nfs/dbraw/zinc/60/02/44/949600244.db2.gz LUCWEKLEULLQHV-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCNC(=O)C1 ZINC001575545580 949600252 /nfs/dbraw/zinc/60/02/52/949600252.db2.gz LUCWEKLEULLQHV-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@H](NC(=O)CC[C@H]1CCCO1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575270726 949601236 /nfs/dbraw/zinc/60/12/36/949601236.db2.gz FSLLIIYXSXHFFU-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC[C@H]1CCCO1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575270726 949601253 /nfs/dbraw/zinc/60/12/53/949601253.db2.gz FSLLIIYXSXHFFU-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574126935 949606930 /nfs/dbraw/zinc/60/69/30/949606930.db2.gz BKGVEPDKIGEPEN-ZDUSSCGKSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574126935 949606944 /nfs/dbraw/zinc/60/69/44/949606944.db2.gz BKGVEPDKIGEPEN-ZDUSSCGKSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574957362 949607135 /nfs/dbraw/zinc/60/71/35/949607135.db2.gz WDARKCWJHXWVDZ-MFKMUULPSA-N -1 3 390.423 0.713 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574957362 949607147 /nfs/dbraw/zinc/60/71/47/949607147.db2.gz WDARKCWJHXWVDZ-MFKMUULPSA-N -1 3 390.423 0.713 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575874355 949610087 /nfs/dbraw/zinc/61/00/87/949610087.db2.gz GAOILVDFRANCIW-MFKMUULPSA-N -1 3 390.423 0.530 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575874355 949610101 /nfs/dbraw/zinc/61/01/01/949610101.db2.gz GAOILVDFRANCIW-MFKMUULPSA-N -1 3 390.423 0.530 20 0 GCADHM CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)cn1)C(=O)C[C@H](C)NC(N)=O ZINC001574476618 949610252 /nfs/dbraw/zinc/61/02/52/949610252.db2.gz FCZRUQVLBYAPOH-LBPRGKRZSA-N -1 3 389.464 0.382 20 0 GCADHM CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)cn1)C(=O)C[C@H](C)NC(N)=O ZINC001574476618 949610262 /nfs/dbraw/zinc/61/02/62/949610262.db2.gz FCZRUQVLBYAPOH-LBPRGKRZSA-N -1 3 389.464 0.382 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575874269 949611043 /nfs/dbraw/zinc/61/10/43/949611043.db2.gz FNIPIPMWASZONG-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575874269 949611055 /nfs/dbraw/zinc/61/10/55/949611055.db2.gz FNIPIPMWASZONG-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574476642 949611597 /nfs/dbraw/zinc/61/15/97/949611597.db2.gz IXEALPYEZMRBON-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574476642 949611607 /nfs/dbraw/zinc/61/16/07/949611607.db2.gz IXEALPYEZMRBON-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574127310 949611486 /nfs/dbraw/zinc/61/14/86/949611486.db2.gz FMMQQBBZSWGISJ-ZDUSSCGKSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574127310 949611495 /nfs/dbraw/zinc/61/14/95/949611495.db2.gz FMMQQBBZSWGISJ-ZDUSSCGKSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@]1(C(=O)N2CCCC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575546555 949613093 /nfs/dbraw/zinc/61/30/93/949613093.db2.gz RAARNDFOUQXJBI-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575546555 949613107 /nfs/dbraw/zinc/61/31/07/949613107.db2.gz RAARNDFOUQXJBI-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575271136 949613567 /nfs/dbraw/zinc/61/35/67/949613567.db2.gz IRKCFQHPVVBCGB-GHMZBOCLSA-N -1 3 392.439 0.964 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575271136 949613579 /nfs/dbraw/zinc/61/35/79/949613579.db2.gz IRKCFQHPVVBCGB-GHMZBOCLSA-N -1 3 392.439 0.964 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H](C)n1cccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574713740 949613586 /nfs/dbraw/zinc/61/35/86/949613586.db2.gz BSGBWRAIIALLHM-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H](C)n1cccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574713740 949613596 /nfs/dbraw/zinc/61/35/96/949613596.db2.gz BSGBWRAIIALLHM-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575546637 949614120 /nfs/dbraw/zinc/61/41/20/949614120.db2.gz ROYXWYRFZWPNEQ-KZULUSFZSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575546637 949614130 /nfs/dbraw/zinc/61/41/30/949614130.db2.gz ROYXWYRFZWPNEQ-KZULUSFZSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874646 949615471 /nfs/dbraw/zinc/61/54/71/949615471.db2.gz SYTCSGDRINDXEG-AAEUAGOBSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874646 949615485 /nfs/dbraw/zinc/61/54/85/949615485.db2.gz SYTCSGDRINDXEG-AAEUAGOBSA-N -1 3 385.428 0.998 20 0 GCADHM CC1(C(=O)N2CCCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCC1 ZINC001575546884 949616458 /nfs/dbraw/zinc/61/64/58/949616458.db2.gz SRRGRYOZZNPILV-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCC1 ZINC001575546884 949616475 /nfs/dbraw/zinc/61/64/75/949616475.db2.gz SRRGRYOZZNPILV-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)CCOC1 ZINC001575546867 949619301 /nfs/dbraw/zinc/61/93/01/949619301.db2.gz SGUCHLSRRVMLJQ-KRWDZBQOSA-N -1 3 375.408 0.866 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)CCOC1 ZINC001575546867 949619312 /nfs/dbraw/zinc/61/93/12/949619312.db2.gz SGUCHLSRRVMLJQ-KRWDZBQOSA-N -1 3 375.408 0.866 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCNC(N)=O ZINC001573812802 949620859 /nfs/dbraw/zinc/62/08/59/949620859.db2.gz UHZYRTGTXMHYNX-NSHDSACASA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCNC(N)=O ZINC001573812802 949620869 /nfs/dbraw/zinc/62/08/69/949620869.db2.gz UHZYRTGTXMHYNX-NSHDSACASA-N -1 3 375.437 0.263 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574476786 949621279 /nfs/dbraw/zinc/62/12/79/949621279.db2.gz KCQVORNPCBBECZ-FZMZJTMJSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574476786 949621289 /nfs/dbraw/zinc/62/12/89/949621289.db2.gz KCQVORNPCBBECZ-FZMZJTMJSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574957627 949624461 /nfs/dbraw/zinc/62/44/61/949624461.db2.gz CVJPWSPPYYZBSI-SLAGJKONSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574957627 949624473 /nfs/dbraw/zinc/62/44/73/949624473.db2.gz CVJPWSPPYYZBSI-SLAGJKONSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001576168028 949627131 /nfs/dbraw/zinc/62/71/31/949627131.db2.gz BGHRSCNGEGQMSP-NOZJJQNGSA-N -1 3 386.395 0.872 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574714444 949628613 /nfs/dbraw/zinc/62/86/13/949628613.db2.gz DEDDVVOMRDEALD-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574714444 949628621 /nfs/dbraw/zinc/62/86/21/949628621.db2.gz DEDDVVOMRDEALD-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574128713 949631934 /nfs/dbraw/zinc/63/19/34/949631934.db2.gz PIXQPPSMQKUNGR-ZDUSSCGKSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574128713 949631947 /nfs/dbraw/zinc/63/19/47/949631947.db2.gz PIXQPPSMQKUNGR-ZDUSSCGKSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574957736 949633052 /nfs/dbraw/zinc/63/30/52/949633052.db2.gz HBZXODMHOITCEF-ATVPRXPUSA-N -1 3 387.444 0.477 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574957736 949633063 /nfs/dbraw/zinc/63/30/63/949633063.db2.gz HBZXODMHOITCEF-ATVPRXPUSA-N -1 3 387.444 0.477 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574714843 949636788 /nfs/dbraw/zinc/63/67/88/949636788.db2.gz GTJCRPVBIGRAPX-PWSUYJOCSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574714843 949636798 /nfs/dbraw/zinc/63/67/98/949636798.db2.gz GTJCRPVBIGRAPX-PWSUYJOCSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575876033 949638534 /nfs/dbraw/zinc/63/85/34/949638534.db2.gz IRRSDUHZNRSCON-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876033 949638549 /nfs/dbraw/zinc/63/85/49/949638549.db2.gz IRRSDUHZNRSCON-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCn1ccnn1 ZINC001573814231 949638725 /nfs/dbraw/zinc/63/87/25/949638725.db2.gz BSAJVHILJWKVLW-CQSZACIVSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CCn1ccnn1 ZINC001573814231 949638747 /nfs/dbraw/zinc/63/87/47/949638747.db2.gz BSAJVHILJWKVLW-CQSZACIVSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575547767 949640146 /nfs/dbraw/zinc/64/01/46/949640146.db2.gz GWGLXOUYTAYGDY-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575547767 949640154 /nfs/dbraw/zinc/64/01/54/949640154.db2.gz GWGLXOUYTAYGDY-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575547719 949640253 /nfs/dbraw/zinc/64/02/53/949640253.db2.gz FMKQOASCKINTET-AWEZNQCLSA-N -1 3 387.444 0.718 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575547719 949640266 /nfs/dbraw/zinc/64/02/66/949640266.db2.gz FMKQOASCKINTET-AWEZNQCLSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876194 949642709 /nfs/dbraw/zinc/64/27/09/949642709.db2.gz JKCBETYPPSPWGQ-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715193 949645691 /nfs/dbraw/zinc/64/56/91/949645691.db2.gz HMTZVTXUMKDRCX-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715193 949645701 /nfs/dbraw/zinc/64/57/01/949645701.db2.gz HMTZVTXUMKDRCX-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574129873 949646665 /nfs/dbraw/zinc/64/66/65/949646665.db2.gz ZUWPUNSJJJZXSZ-LBPRGKRZSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574129873 949646680 /nfs/dbraw/zinc/64/66/80/949646680.db2.gz ZUWPUNSJJJZXSZ-LBPRGKRZSA-N -1 3 377.449 0.474 20 0 GCADHM 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C[C@]1(C(=O)N2CCN(Cc3ccccc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575548215 949665246 /nfs/dbraw/zinc/66/52/46/949665246.db2.gz USHOGYXJXXQFSJ-IBGZPJMESA-N -1 3 383.456 0.427 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H](C)NC(=O)CCCC(N)=O ZINC001575273632 949670182 /nfs/dbraw/zinc/67/01/82/949670182.db2.gz XPNVDWMRXATPDW-DTWKUNHWSA-N -1 3 380.840 0.876 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H](C)NC(=O)CCCC(N)=O ZINC001575273632 949670194 /nfs/dbraw/zinc/67/01/94/949670194.db2.gz XPNVDWMRXATPDW-DTWKUNHWSA-N -1 3 380.840 0.876 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169269 949672172 /nfs/dbraw/zinc/67/21/72/949672172.db2.gz GBVPKYMSNFDNID-PWSUYJOCSA-N -1 3 383.420 0.057 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574132040 949674037 /nfs/dbraw/zinc/67/40/37/949674037.db2.gz PJUMDAMZRTYPAT-GXTWGEPZSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574715990 949674007 /nfs/dbraw/zinc/67/40/07/949674007.db2.gz GVOWIOWQBNHJMO-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574715990 949674019 /nfs/dbraw/zinc/67/40/19/949674019.db2.gz GVOWIOWQBNHJMO-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574132040 949674050 /nfs/dbraw/zinc/67/40/50/949674050.db2.gz PJUMDAMZRTYPAT-GXTWGEPZSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](NC(=O)CCN1C(=O)CCC1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575273779 949674529 /nfs/dbraw/zinc/67/45/29/949674529.db2.gz YALAFUPPUYHWLL-GHMZBOCLSA-N -1 3 386.416 0.106 20 0 GCADHM C[C@@H](NC(=O)CCN1C(=O)CCC1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575273779 949674545 /nfs/dbraw/zinc/67/45/45/949674545.db2.gz YALAFUPPUYHWLL-GHMZBOCLSA-N -1 3 386.416 0.106 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878214 949675474 /nfs/dbraw/zinc/67/54/74/949675474.db2.gz OBDHJXNBHHXVGM-MNOVXSKESA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878214 949675496 /nfs/dbraw/zinc/67/54/96/949675496.db2.gz OBDHJXNBHHXVGM-MNOVXSKESA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878218 949677118 /nfs/dbraw/zinc/67/71/18/949677118.db2.gz OBDHJXNBHHXVGM-WDEREUQCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878218 949677137 /nfs/dbraw/zinc/67/71/37/949677137.db2.gz OBDHJXNBHHXVGM-WDEREUQCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575274100 949677442 /nfs/dbraw/zinc/67/74/42/949677442.db2.gz YPRRKHJKFBBKCS-ZWNOBZJWSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575274100 949677455 /nfs/dbraw/zinc/67/74/55/949677455.db2.gz YPRRKHJKFBBKCS-ZWNOBZJWSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576169478 949679120 /nfs/dbraw/zinc/67/91/20/949679120.db2.gz YBZAYJPPWWIGMC-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576169478 949679142 /nfs/dbraw/zinc/67/91/42/949679142.db2.gz YBZAYJPPWWIGMC-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574477801 949680414 /nfs/dbraw/zinc/68/04/14/949680414.db2.gz SACNYZSTCOXCBY-ABAIWWIYSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574477801 949680428 /nfs/dbraw/zinc/68/04/28/949680428.db2.gz SACNYZSTCOXCBY-ABAIWWIYSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001574477901 949685213 /nfs/dbraw/zinc/68/52/13/949685213.db2.gz SSDSAAPADQDFJQ-CQSZACIVSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001574477901 949685230 /nfs/dbraw/zinc/68/52/30/949685230.db2.gz SSDSAAPADQDFJQ-CQSZACIVSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574716286 949685829 /nfs/dbraw/zinc/68/58/29/949685829.db2.gz IKRNKIMUYLBUKR-NXEZZACHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574716286 949685845 /nfs/dbraw/zinc/68/58/45/949685845.db2.gz IKRNKIMUYLBUKR-NXEZZACHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](NC(=O)CCc1cnccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575274571 949688284 /nfs/dbraw/zinc/68/82/84/949688284.db2.gz AMFIZSRKNYXMNB-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1cnccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575274571 949688310 /nfs/dbraw/zinc/68/83/10/949688310.db2.gz AMFIZSRKNYXMNB-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573816916 949689816 /nfs/dbraw/zinc/68/98/16/949689816.db2.gz VLZKYZKDUZGSCJ-SMDDNHRTSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573816916 949689833 /nfs/dbraw/zinc/68/98/33/949689833.db2.gz VLZKYZKDUZGSCJ-SMDDNHRTSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001574477996 949690325 /nfs/dbraw/zinc/69/03/25/949690325.db2.gz UDNPAFZQHWFARA-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001574477996 949690345 /nfs/dbraw/zinc/69/03/45/949690345.db2.gz UDNPAFZQHWFARA-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574477997 949690758 /nfs/dbraw/zinc/69/07/58/949690758.db2.gz UDNPAFZQHWFARA-NHYWBVRUSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574477997 949690776 /nfs/dbraw/zinc/69/07/76/949690776.db2.gz UDNPAFZQHWFARA-NHYWBVRUSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)CCOC1 ZINC001575553715 949692832 /nfs/dbraw/zinc/69/28/32/949692832.db2.gz OZMLQNQHSJXBSI-UCMVZMLTSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)CCOC1 ZINC001575553715 949692843 /nfs/dbraw/zinc/69/28/43/949692843.db2.gz OZMLQNQHSJXBSI-UCMVZMLTSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574716611 949696595 /nfs/dbraw/zinc/69/65/95/949696595.db2.gz LARQIGHNIWYCQX-UWVGGRQHSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574716611 949696613 /nfs/dbraw/zinc/69/66/13/949696613.db2.gz LARQIGHNIWYCQX-UWVGGRQHSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1ncccn1 ZINC001575275085 949697606 /nfs/dbraw/zinc/69/76/06/949697606.db2.gz BZOKSTDYEZAVKG-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1ncccn1 ZINC001575275085 949697620 /nfs/dbraw/zinc/69/76/20/949697620.db2.gz BZOKSTDYEZAVKG-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573817192 949697980 /nfs/dbraw/zinc/69/79/80/949697980.db2.gz YPKXWRNQTLVRPQ-SMDDNHRTSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573817192 949697990 /nfs/dbraw/zinc/69/79/90/949697990.db2.gz YPKXWRNQTLVRPQ-SMDDNHRTSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CNC(=O)C1CC1 ZINC001573817172 949699865 /nfs/dbraw/zinc/69/98/65/949699865.db2.gz YHIKZYCJTYOYLD-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CNC(=O)C1CC1 ZINC001573817172 949699881 /nfs/dbraw/zinc/69/98/81/949699881.db2.gz YHIKZYCJTYOYLD-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575275810 949700741 /nfs/dbraw/zinc/70/07/41/949700741.db2.gz DTAPWZSKEIDFKY-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575275810 949700756 /nfs/dbraw/zinc/70/07/56/949700756.db2.gz DTAPWZSKEIDFKY-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574132428 949700743 /nfs/dbraw/zinc/70/07/43/949700743.db2.gz ZNGDOMYTMRNRQQ-ZLKJLUDKSA-N -1 3 375.433 0.179 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574132428 949700758 /nfs/dbraw/zinc/70/07/58/949700758.db2.gz ZNGDOMYTMRNRQQ-ZLKJLUDKSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H]1[C@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880602 949703731 /nfs/dbraw/zinc/70/37/31/949703731.db2.gz UYAJSAQWDWVNHG-CMPLNLGQSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H]1[C@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880602 949703739 /nfs/dbraw/zinc/70/37/39/949703739.db2.gz UYAJSAQWDWVNHG-CMPLNLGQSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)c1cnco1 ZINC001576170076 949705622 /nfs/dbraw/zinc/70/56/22/949705622.db2.gz JFVXCEWOHDQYCI-MFKMUULPSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1cnco1 ZINC001576170076 949705637 /nfs/dbraw/zinc/70/56/37/949705637.db2.gz JFVXCEWOHDQYCI-MFKMUULPSA-N -1 3 384.400 0.854 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574133050 949709258 /nfs/dbraw/zinc/70/92/58/949709258.db2.gz DAPIEODWXLBLNA-KCPJHIHWSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574133050 949709270 /nfs/dbraw/zinc/70/92/70/949709270.db2.gz DAPIEODWXLBLNA-KCPJHIHWSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]2C[C@H]2C1 ZINC001575557231 949711251 /nfs/dbraw/zinc/71/12/51/949711251.db2.gz DUYLLOKLKOIRAN-JSRQLWJNSA-N -1 3 381.440 0.818 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]2C[C@H]2C1 ZINC001575557231 949711261 /nfs/dbraw/zinc/71/12/61/949711261.db2.gz DUYLLOKLKOIRAN-JSRQLWJNSA-N -1 3 381.440 0.818 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574478562 949711276 /nfs/dbraw/zinc/71/12/76/949711276.db2.gz YZUDOEOXUSJHEY-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574478562 949711288 /nfs/dbraw/zinc/71/12/88/949711288.db2.gz YZUDOEOXUSJHEY-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574478622 949711929 /nfs/dbraw/zinc/71/19/29/949711929.db2.gz ZPHOXQFLTZNWPI-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574478622 949711951 /nfs/dbraw/zinc/71/19/51/949711951.db2.gz ZPHOXQFLTZNWPI-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880975 949713794 /nfs/dbraw/zinc/71/37/94/949713794.db2.gz WMEDCTOJNPAVFE-BXUZGUMPSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880975 949713813 /nfs/dbraw/zinc/71/38/13/949713813.db2.gz WMEDCTOJNPAVFE-BXUZGUMPSA-N -1 3 387.444 0.873 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001575557297 949714392 /nfs/dbraw/zinc/71/43/92/949714392.db2.gz GMAWMDHZGCHABW-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001575557297 949714409 /nfs/dbraw/zinc/71/44/09/949714409.db2.gz GMAWMDHZGCHABW-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001576170469 949719120 /nfs/dbraw/zinc/71/91/20/949719120.db2.gz LCHMREXXYQBMNR-NSHDSACASA-N -1 3 379.446 0.189 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001576170469 949719136 /nfs/dbraw/zinc/71/91/36/949719136.db2.gz LCHMREXXYQBMNR-NSHDSACASA-N -1 3 379.446 0.189 20 0 GCADHM C[C@H](NC(=O)CCc1cncnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276493 949719436 /nfs/dbraw/zinc/71/94/36/949719436.db2.gz JUBDYHUAWLLNMY-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1cncnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276493 949719451 /nfs/dbraw/zinc/71/94/51/949719451.db2.gz JUBDYHUAWLLNMY-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576170362 949719925 /nfs/dbraw/zinc/71/99/25/949719925.db2.gz KQBFKYIHWKOFAV-TZMCWYRMSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576170362 949719941 /nfs/dbraw/zinc/71/99/41/949719941.db2.gz KQBFKYIHWKOFAV-TZMCWYRMSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576170462 949720614 /nfs/dbraw/zinc/72/06/14/949720614.db2.gz KXAHVHOYUUGFNP-WCQYABFASA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](NC(=O)CCc1cncnc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276491 949722061 /nfs/dbraw/zinc/72/20/61/949722061.db2.gz JUBDYHUAWLLNMY-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1cncnc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276491 949722071 /nfs/dbraw/zinc/72/20/71/949722071.db2.gz JUBDYHUAWLLNMY-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575276459 949723043 /nfs/dbraw/zinc/72/30/43/949723043.db2.gz JFWWSSRSAKXRAH-BDAKNGLRSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575276459 949723058 /nfs/dbraw/zinc/72/30/58/949723058.db2.gz JFWWSSRSAKXRAH-BDAKNGLRSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574960252 949723573 /nfs/dbraw/zinc/72/35/73/949723573.db2.gz VUXSAVSQEZYAFA-IACUBPJLSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574960252 949723591 /nfs/dbraw/zinc/72/35/91/949723591.db2.gz VUXSAVSQEZYAFA-IACUBPJLSA-N -1 3 381.444 0.740 20 0 GCADHM CC1(C(=O)N[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCOCC1 ZINC001575557654 949725708 /nfs/dbraw/zinc/72/57/08/949725708.db2.gz KWQCNVSULFTQTB-CQSZACIVSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCOCC1 ZINC001575557654 949725731 /nfs/dbraw/zinc/72/57/31/949725731.db2.gz KWQCNVSULFTQTB-CQSZACIVSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574479084 949731040 /nfs/dbraw/zinc/73/10/40/949731040.db2.gz CRQWEQISXHFRDU-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881793 949732640 /nfs/dbraw/zinc/73/26/40/949732640.db2.gz AXRHSUSZOZJZCG-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2c[nH]cn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881767 949733387 /nfs/dbraw/zinc/73/33/87/949733387.db2.gz APVDWJMZCKXBSG-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576170725 949733969 /nfs/dbraw/zinc/73/39/69/949733969.db2.gz NQVSZQMZYRUDKN-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576170725 949733978 /nfs/dbraw/zinc/73/39/78/949733978.db2.gz NQVSZQMZYRUDKN-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276865 949734268 /nfs/dbraw/zinc/73/42/68/949734268.db2.gz MEQWBXXGUJYJCY-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276865 949734281 /nfs/dbraw/zinc/73/42/81/949734281.db2.gz MEQWBXXGUJYJCY-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2c[nH]cn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881795 949734531 /nfs/dbraw/zinc/73/45/31/949734531.db2.gz AXRHSUSZOZJZCG-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)CCOC1 ZINC001575558099 949735618 /nfs/dbraw/zinc/73/56/18/949735618.db2.gz OOHCBFTYABDFAG-BKTMZONDSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)CCOC1 ZINC001575558099 949735631 /nfs/dbraw/zinc/73/56/31/949735631.db2.gz OOHCBFTYABDFAG-BKTMZONDSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277068 949739730 /nfs/dbraw/zinc/73/97/30/949739730.db2.gz NHDFUNFRSDAJFU-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277068 949739745 /nfs/dbraw/zinc/73/97/45/949739745.db2.gz NHDFUNFRSDAJFU-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574479392 949740216 /nfs/dbraw/zinc/74/02/16/949740216.db2.gz DYAURFUIPBJZEQ-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574479392 949740233 /nfs/dbraw/zinc/74/02/33/949740233.db2.gz DYAURFUIPBJZEQ-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277071 949741437 /nfs/dbraw/zinc/74/14/37/949741437.db2.gz NHDFUNFRSDAJFU-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277071 949741450 /nfs/dbraw/zinc/74/14/50/949741450.db2.gz NHDFUNFRSDAJFU-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170971 949744556 /nfs/dbraw/zinc/74/45/56/949744556.db2.gz OLHPMWMLEBVXEA-DGCLKSJQSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170971 949744570 /nfs/dbraw/zinc/74/45/70/949744570.db2.gz OLHPMWMLEBVXEA-DGCLKSJQSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](NC(=O)CCc1cncn1C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575277308 949745012 /nfs/dbraw/zinc/74/50/12/949745012.db2.gz PWZNTTXPGODCSM-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1cncn1C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575277308 949745025 /nfs/dbraw/zinc/74/50/25/949745025.db2.gz PWZNTTXPGODCSM-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCNC(=O)C1 ZINC001575558890 949745698 /nfs/dbraw/zinc/74/56/98/949745698.db2.gz TVAOYKVUAPMFLJ-KBXCAEBGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCNC(=O)C1 ZINC001575558890 949745708 /nfs/dbraw/zinc/74/57/08/949745708.db2.gz TVAOYKVUAPMFLJ-KBXCAEBGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](NC(=O)CCc1cncn1C)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277232 949746815 /nfs/dbraw/zinc/74/68/15/949746815.db2.gz PDCVSNAKBYVUGK-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1cncn1C)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277232 949746827 /nfs/dbraw/zinc/74/68/27/949746827.db2.gz PDCVSNAKBYVUGK-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574480193 949747057 /nfs/dbraw/zinc/74/70/57/949747057.db2.gz HJVPYWZDDQIAGW-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574480193 949747071 /nfs/dbraw/zinc/74/70/71/949747071.db2.gz HJVPYWZDDQIAGW-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1csnn1 ZINC001575881999 949749045 /nfs/dbraw/zinc/74/90/45/949749045.db2.gz FBSQAPQIWQSWAD-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1csnn1 ZINC001575881999 949749061 /nfs/dbraw/zinc/74/90/61/949749061.db2.gz FBSQAPQIWQSWAD-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnns1 ZINC001575882100 949750789 /nfs/dbraw/zinc/75/07/89/949750789.db2.gz GDQJUTAMTVDEKP-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnns1 ZINC001575882100 949750799 /nfs/dbraw/zinc/75/07/99/949750799.db2.gz GDQJUTAMTVDEKP-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575882079 949751355 /nfs/dbraw/zinc/75/13/55/949751355.db2.gz GAPDYAPAEYFGSY-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575882079 949751366 /nfs/dbraw/zinc/75/13/66/949751366.db2.gz GAPDYAPAEYFGSY-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574480513 949753561 /nfs/dbraw/zinc/75/35/61/949753561.db2.gz JKROPVCBMBCJSU-DGCLKSJQSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574480513 949753579 /nfs/dbraw/zinc/75/35/79/949753579.db2.gz JKROPVCBMBCJSU-DGCLKSJQSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnccn1 ZINC001575882195 949755531 /nfs/dbraw/zinc/75/55/31/949755531.db2.gz HRCYZECJQUWJJC-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnccn1 ZINC001575882195 949755540 /nfs/dbraw/zinc/75/55/40/949755540.db2.gz HRCYZECJQUWJJC-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576171315 949755650 /nfs/dbraw/zinc/75/56/50/949755650.db2.gz QGLXBNVQFLSRLS-OLZOCXBDSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576171315 949755664 /nfs/dbraw/zinc/75/56/64/949755664.db2.gz QGLXBNVQFLSRLS-OLZOCXBDSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC(N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576171270 949755897 /nfs/dbraw/zinc/75/58/97/949755897.db2.gz QAQIINQGKUMEAD-GFCCVEGCSA-N -1 3 386.460 0.210 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC(N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576171270 949755905 /nfs/dbraw/zinc/75/59/05/949755905.db2.gz QAQIINQGKUMEAD-GFCCVEGCSA-N -1 3 386.460 0.210 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574480873 949757872 /nfs/dbraw/zinc/75/78/72/949757872.db2.gz KUYUGOILGUZAJM-ZJUUUORDSA-N -1 3 376.396 0.466 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCCNC(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574718031 949757804 /nfs/dbraw/zinc/75/78/04/949757804.db2.gz RHTCLFONAQGMFH-NSHDSACASA-N -1 3 375.437 0.359 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCCNC(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574718031 949757813 /nfs/dbraw/zinc/75/78/13/949757813.db2.gz RHTCLFONAQGMFH-NSHDSACASA-N -1 3 375.437 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574480873 949757878 /nfs/dbraw/zinc/75/78/78/949757878.db2.gz KUYUGOILGUZAJM-ZJUUUORDSA-N -1 3 376.396 0.466 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574480878 949758174 /nfs/dbraw/zinc/75/81/74/949758174.db2.gz KWMIEDUBHNUFDL-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576171215 949758793 /nfs/dbraw/zinc/75/87/93/949758793.db2.gz PLIYDBXNGRXCQJ-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576171215 949758806 /nfs/dbraw/zinc/75/88/06/949758806.db2.gz PLIYDBXNGRXCQJ-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574137649 949761181 /nfs/dbraw/zinc/76/11/81/949761181.db2.gz WGPUQXFQHSXLSM-KCPJHIHWSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574137649 949761200 /nfs/dbraw/zinc/76/12/00/949761200.db2.gz WGPUQXFQHSXLSM-KCPJHIHWSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574964080 949763280 /nfs/dbraw/zinc/76/32/80/949763280.db2.gz PKIQDURMFTZBOL-MXWKQRLJSA-N -1 3 375.408 0.824 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574964080 949763294 /nfs/dbraw/zinc/76/32/94/949763294.db2.gz PKIQDURMFTZBOL-MXWKQRLJSA-N -1 3 375.408 0.824 20 0 GCADHM C[C@@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575278337 949763774 /nfs/dbraw/zinc/76/37/74/949763774.db2.gz UYXPSIXMKUUJCB-SNVBAGLBSA-N -1 3 383.416 0.127 20 0 GCADHM C[C@@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575278337 949763788 /nfs/dbraw/zinc/76/37/88/949763788.db2.gz UYXPSIXMKUUJCB-SNVBAGLBSA-N -1 3 383.416 0.127 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574137548 949763875 /nfs/dbraw/zinc/76/38/75/949763875.db2.gz VQERWKGCHGLLTJ-OLZOCXBDSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574137548 949763888 /nfs/dbraw/zinc/76/38/88/949763888.db2.gz VQERWKGCHGLLTJ-OLZOCXBDSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575278179 949763853 /nfs/dbraw/zinc/76/38/53/949763853.db2.gz UCMAFSDEZHPZRM-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575278179 949763869 /nfs/dbraw/zinc/76/38/69/949763869.db2.gz UCMAFSDEZHPZRM-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574480930 949765177 /nfs/dbraw/zinc/76/51/77/949765177.db2.gz LOPQFPGXVNRJGU-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574480930 949765188 /nfs/dbraw/zinc/76/51/88/949765188.db2.gz LOPQFPGXVNRJGU-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001576171458 949768977 /nfs/dbraw/zinc/76/89/77/949768977.db2.gz QQBAANULJWSWBS-CYBMUJFWSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001576171458 949768995 /nfs/dbraw/zinc/76/89/95/949768995.db2.gz QQBAANULJWSWBS-CYBMUJFWSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@@H](NC(=O)CCc1ccnn1C)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575279198 949772788 /nfs/dbraw/zinc/77/27/88/949772788.db2.gz WZHIGULHLBQMMX-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1ccnn1C)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575279198 949772807 /nfs/dbraw/zinc/77/28/07/949772807.db2.gz WZHIGULHLBQMMX-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576171650 949773018 /nfs/dbraw/zinc/77/30/18/949773018.db2.gz QWRVNVKMXPSLMB-GXTWGEPZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576171650 949773038 /nfs/dbraw/zinc/77/30/38/949773038.db2.gz QWRVNVKMXPSLMB-GXTWGEPZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574718413 949776604 /nfs/dbraw/zinc/77/66/04/949776604.db2.gz WKOQVFJPJRABNU-RYUDHWBXSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574718413 949776610 /nfs/dbraw/zinc/77/66/10/949776610.db2.gz WKOQVFJPJRABNU-RYUDHWBXSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574964351 949777095 /nfs/dbraw/zinc/77/70/95/949777095.db2.gz USNLTYGZUQJHBU-IINYFYTJSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574964351 949777114 /nfs/dbraw/zinc/77/71/14/949777114.db2.gz USNLTYGZUQJHBU-IINYFYTJSA-N -1 3 375.408 0.221 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574137896 949777398 /nfs/dbraw/zinc/77/73/98/949777398.db2.gz YQUMVNIPKDNMDE-JSGCOSHPSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574137896 949777424 /nfs/dbraw/zinc/77/74/24/949777424.db2.gz YQUMVNIPKDNMDE-JSGCOSHPSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574718412 949778209 /nfs/dbraw/zinc/77/82/09/949778209.db2.gz WKOQVFJPJRABNU-NWDGAFQWSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574718412 949778217 /nfs/dbraw/zinc/77/82/17/949778217.db2.gz WKOQVFJPJRABNU-NWDGAFQWSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481458 949780237 /nfs/dbraw/zinc/78/02/37/949780237.db2.gz QFKIMYPFAVPXGJ-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481458 949780254 /nfs/dbraw/zinc/78/02/54/949780254.db2.gz QFKIMYPFAVPXGJ-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001576171801 949780436 /nfs/dbraw/zinc/78/04/36/949780436.db2.gz SNULKNMHWOPHBR-LBPRGKRZSA-N -1 3 378.458 0.794 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001576171801 949780455 /nfs/dbraw/zinc/78/04/55/949780455.db2.gz SNULKNMHWOPHBR-LBPRGKRZSA-N -1 3 378.458 0.794 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001576171800 949781959 /nfs/dbraw/zinc/78/19/59/949781959.db2.gz SNULKNMHWOPHBR-GFCCVEGCSA-N -1 3 378.458 0.794 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001576171800 949781974 /nfs/dbraw/zinc/78/19/74/949781974.db2.gz SNULKNMHWOPHBR-GFCCVEGCSA-N -1 3 378.458 0.794 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575560272 949783516 /nfs/dbraw/zinc/78/35/16/949783516.db2.gz NIQXFYUCHAVSBF-GFJXOLGBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575560272 949783530 /nfs/dbraw/zinc/78/35/30/949783530.db2.gz NIQXFYUCHAVSBF-GFJXOLGBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574964694 949784829 /nfs/dbraw/zinc/78/48/29/949784829.db2.gz ZQSHHBABYWBHOR-BXKDBHETSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574964694 949784858 /nfs/dbraw/zinc/78/48/58/949784858.db2.gz ZQSHHBABYWBHOR-BXKDBHETSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cn1cccn1 ZINC001575882736 949786478 /nfs/dbraw/zinc/78/64/78/949786478.db2.gz NPOJAIWHYFSLPA-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cn1cccn1 ZINC001575882736 949786497 /nfs/dbraw/zinc/78/64/97/949786497.db2.gz NPOJAIWHYFSLPA-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1ccn(C)n1 ZINC001575279757 949788374 /nfs/dbraw/zinc/78/83/74/949788374.db2.gz ZJWKGCINONOPNO-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1ccn(C)n1 ZINC001575279757 949788390 /nfs/dbraw/zinc/78/83/90/949788390.db2.gz ZJWKGCINONOPNO-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@]1(C(=O)NC2(CCO)CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575560495 949789343 /nfs/dbraw/zinc/78/93/43/949789343.db2.gz QOVNLCZGHVMBHQ-INIZCTEOSA-N -1 3 392.485 0.408 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574964965 949790415 /nfs/dbraw/zinc/79/04/15/949790415.db2.gz CKJSPVGWMVRMGE-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574964965 949790431 /nfs/dbraw/zinc/79/04/31/949790431.db2.gz CKJSPVGWMVRMGE-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576172062 949791119 /nfs/dbraw/zinc/79/11/19/949791119.db2.gz UMEIHXYYJDKQLU-SMDDNHRTSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576172062 949791127 /nfs/dbraw/zinc/79/11/27/949791127.db2.gz UMEIHXYYJDKQLU-SMDDNHRTSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575882848 949792035 /nfs/dbraw/zinc/79/20/35/949792035.db2.gz ONWABVFFUIFDCR-FZMZJTMJSA-N -1 3 385.407 0.771 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575882848 949792050 /nfs/dbraw/zinc/79/20/50/949792050.db2.gz ONWABVFFUIFDCR-FZMZJTMJSA-N -1 3 385.407 0.771 20 0 GCADHM CC1(C(=O)NC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001575560587 949793225 /nfs/dbraw/zinc/79/32/25/949793225.db2.gz SKDJBNQSDQWWNU-UHFFFAOYSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001575560587 949793248 /nfs/dbraw/zinc/79/32/48/949793248.db2.gz SKDJBNQSDQWWNU-UHFFFAOYSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575281060 949798345 /nfs/dbraw/zinc/79/83/45/949798345.db2.gz CMDGGCSAMNUQTJ-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575281060 949798357 /nfs/dbraw/zinc/79/83/57/949798357.db2.gz CMDGGCSAMNUQTJ-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)C1CCOCC1 ZINC001575883090 949802993 /nfs/dbraw/zinc/80/29/93/949802993.db2.gz CLFROTSFFFFIFQ-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)C1CCOCC1 ZINC001575883090 949803017 /nfs/dbraw/zinc/80/30/17/949803017.db2.gz CLFROTSFFFFIFQ-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574139040 949805448 /nfs/dbraw/zinc/80/54/48/949805448.db2.gz HWMLBFJXHDEBBI-YPMHNXCESA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574139040 949805471 /nfs/dbraw/zinc/80/54/71/949805471.db2.gz HWMLBFJXHDEBBI-YPMHNXCESA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCC[C@H](C)C1 ZINC001576172542 949806351 /nfs/dbraw/zinc/80/63/51/949806351.db2.gz WUAMMHFCPQNPEY-QWHCGFSZSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cccn1C ZINC001575883207 949806626 /nfs/dbraw/zinc/80/66/26/949806626.db2.gz PXYDOCIOWQCLFP-DGCLKSJQSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cccn1C ZINC001575883207 949806653 /nfs/dbraw/zinc/80/66/53/949806653.db2.gz PXYDOCIOWQCLFP-DGCLKSJQSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCC[C@H](C)C1 ZINC001576172543 949806650 /nfs/dbraw/zinc/80/66/50/949806650.db2.gz WUAMMHFCPQNPEY-STQMWFEESA-N -1 3 388.476 0.503 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001573822816 949806978 /nfs/dbraw/zinc/80/69/78/949806978.db2.gz NNRKHSMGJDGBEF-STQMWFEESA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001573822816 949806998 /nfs/dbraw/zinc/80/69/98/949806998.db2.gz NNRKHSMGJDGBEF-STQMWFEESA-N -1 3 375.433 0.620 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574721159 949811416 /nfs/dbraw/zinc/81/14/16/949811416.db2.gz JVUFLJJPCYROAH-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574721159 949811454 /nfs/dbraw/zinc/81/14/54/949811454.db2.gz JVUFLJJPCYROAH-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1ccnn1 ZINC001573822994 949812304 /nfs/dbraw/zinc/81/23/04/949812304.db2.gz PEMNWSIFKDADAB-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1ccnn1 ZINC001573822994 949812328 /nfs/dbraw/zinc/81/23/28/949812328.db2.gz PEMNWSIFKDADAB-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576172572 949812551 /nfs/dbraw/zinc/81/25/51/949812551.db2.gz XMZVWZULUVAFGR-GXTWGEPZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576172572 949812571 /nfs/dbraw/zinc/81/25/71/949812571.db2.gz XMZVWZULUVAFGR-GXTWGEPZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574721425 949813942 /nfs/dbraw/zinc/81/39/42/949813942.db2.gz LFHMNSUNSUNGRP-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574721425 949813963 /nfs/dbraw/zinc/81/39/63/949813963.db2.gz LFHMNSUNSUNGRP-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccn1 ZINC001574483501 949818613 /nfs/dbraw/zinc/81/86/13/949818613.db2.gz ARMVXDNTMOAUFN-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccn1 ZINC001574483501 949818628 /nfs/dbraw/zinc/81/86/28/949818628.db2.gz ARMVXDNTMOAUFN-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575883485 949819811 /nfs/dbraw/zinc/81/98/11/949819811.db2.gz RBUZMLSFFQILAM-FWTMIXAASA-N -1 3 387.419 0.767 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575883485 949819826 /nfs/dbraw/zinc/81/98/26/949819826.db2.gz RBUZMLSFFQILAM-FWTMIXAASA-N -1 3 387.419 0.767 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576172735 949821138 /nfs/dbraw/zinc/82/11/38/949821138.db2.gz VVKYTSFBVYGMCF-JSGCOSHPSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576172735 949821156 /nfs/dbraw/zinc/82/11/56/949821156.db2.gz VVKYTSFBVYGMCF-JSGCOSHPSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576172869 949821869 /nfs/dbraw/zinc/82/18/69/949821869.db2.gz YWFAARRVXRRYPX-JSGCOSHPSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576172869 949821886 /nfs/dbraw/zinc/82/18/86/949821886.db2.gz YWFAARRVXRRYPX-JSGCOSHPSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCNC1=O ZINC001575562275 949822614 /nfs/dbraw/zinc/82/26/14/949822614.db2.gz FHWBGNDCXAYVSA-GTNSWQLSSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCNC1=O ZINC001575562275 949822632 /nfs/dbraw/zinc/82/26/32/949822632.db2.gz FHWBGNDCXAYVSA-GTNSWQLSSA-N -1 3 388.407 0.012 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC(F)(F)C1 ZINC001575562370 949824558 /nfs/dbraw/zinc/82/45/58/949824558.db2.gz GAVBNVXURABPJG-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC(F)(F)C1 ZINC001575562370 949824578 /nfs/dbraw/zinc/82/45/78/949824578.db2.gz GAVBNVXURABPJG-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573823295 949824808 /nfs/dbraw/zinc/82/48/08/949824808.db2.gz UKQFMEQRSSQUAG-AAEUAGOBSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573823295 949824825 /nfs/dbraw/zinc/82/48/25/949824825.db2.gz UKQFMEQRSSQUAG-AAEUAGOBSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573823298 949824936 /nfs/dbraw/zinc/82/49/36/949824936.db2.gz UKQFMEQRSSQUAG-YPMHNXCESA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573823298 949824955 /nfs/dbraw/zinc/82/49/55/949824955.db2.gz UKQFMEQRSSQUAG-YPMHNXCESA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573823313 949825954 /nfs/dbraw/zinc/82/59/54/949825954.db2.gz USOLBHIJWKPXQC-CMPLNLGQSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573823313 949825966 /nfs/dbraw/zinc/82/59/66/949825966.db2.gz USOLBHIJWKPXQC-CMPLNLGQSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574139712 949826698 /nfs/dbraw/zinc/82/66/98/949826698.db2.gz LGQZVAOIBMSCKK-DGCLKSJQSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574139712 949826718 /nfs/dbraw/zinc/82/67/18/949826718.db2.gz LGQZVAOIBMSCKK-DGCLKSJQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574965945 949827094 /nfs/dbraw/zinc/82/70/94/949827094.db2.gz PGCNJVJMOINYKI-FVMDXXJSSA-N -1 3 392.851 0.525 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574965945 949827110 /nfs/dbraw/zinc/82/71/10/949827110.db2.gz PGCNJVJMOINYKI-FVMDXXJSSA-N -1 3 392.851 0.525 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCNC(N)=O ZINC001573823306 949827226 /nfs/dbraw/zinc/82/72/26/949827226.db2.gz UNOPIRGYNHRVNH-NSHDSACASA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCNC(N)=O ZINC001573823306 949827248 /nfs/dbraw/zinc/82/72/48/949827248.db2.gz UNOPIRGYNHRVNH-NSHDSACASA-N -1 3 375.437 0.263 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575883689 949827625 /nfs/dbraw/zinc/82/76/25/949827625.db2.gz SLMJUOMVACIANI-HZMBPMFUSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)c1cnco1 ZINC001576172948 949828652 /nfs/dbraw/zinc/82/86/52/949828652.db2.gz ZTTNSUWFNAXWSO-MFKMUULPSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1cnco1 ZINC001576172948 949828677 /nfs/dbraw/zinc/82/86/77/949828677.db2.gz ZTTNSUWFNAXWSO-MFKMUULPSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575883789 949830207 /nfs/dbraw/zinc/83/02/07/949830207.db2.gz HGFCHFBXMRKCKS-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575883789 949830230 /nfs/dbraw/zinc/83/02/30/949830230.db2.gz HGFCHFBXMRKCKS-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574966064 949831428 /nfs/dbraw/zinc/83/14/28/949831428.db2.gz SXQQVOQDYXHEAY-BIMULSAOSA-N -1 3 375.408 0.064 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574722138 949831745 /nfs/dbraw/zinc/83/17/45/949831745.db2.gz PXXRCOGESGDETF-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574722138 949831771 /nfs/dbraw/zinc/83/17/71/949831771.db2.gz PXXRCOGESGDETF-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575282506 949836578 /nfs/dbraw/zinc/83/65/78/949836578.db2.gz CLRGHEDLVOGYIF-UEKVPHQBSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H](NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575282506 949836594 /nfs/dbraw/zinc/83/65/94/949836594.db2.gz CLRGHEDLVOGYIF-UEKVPHQBSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574483688 949837255 /nfs/dbraw/zinc/83/72/55/949837255.db2.gz IONWTIPYEXGCOC-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574483688 949837283 /nfs/dbraw/zinc/83/72/83/949837283.db2.gz IONWTIPYEXGCOC-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576173355 949837629 /nfs/dbraw/zinc/83/76/29/949837629.db2.gz XVPUXEDBRWXNRS-GXTWGEPZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576173355 949837657 /nfs/dbraw/zinc/83/76/57/949837657.db2.gz XVPUXEDBRWXNRS-GXTWGEPZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)n1ccnc1 ZINC001574483722 949839151 /nfs/dbraw/zinc/83/91/51/949839151.db2.gz JVYDHYSEDVAXBC-LBPRGKRZSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)n1ccnc1 ZINC001574483722 949839176 /nfs/dbraw/zinc/83/91/76/949839176.db2.gz JVYDHYSEDVAXBC-LBPRGKRZSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575884225 949843334 /nfs/dbraw/zinc/84/33/34/949843334.db2.gz HPISBIQXQNLDSI-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575884225 949843358 /nfs/dbraw/zinc/84/33/58/949843358.db2.gz HPISBIQXQNLDSI-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574966331 949843449 /nfs/dbraw/zinc/84/34/49/949843449.db2.gz XLHQYXFBBLCLER-QNSHHTMESA-N -1 3 378.824 0.201 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574966331 949843477 /nfs/dbraw/zinc/84/34/77/949843477.db2.gz XLHQYXFBBLCLER-QNSHHTMESA-N -1 3 378.824 0.201 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573823903 949846977 /nfs/dbraw/zinc/84/69/77/949846977.db2.gz BDIASHQEPPGXAE-HTAVTVPLSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573823903 949847000 /nfs/dbraw/zinc/84/70/00/949847000.db2.gz BDIASHQEPPGXAE-HTAVTVPLSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574966399 949848932 /nfs/dbraw/zinc/84/89/32/949848932.db2.gz YKACGONXKBMZBB-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574966399 949848955 /nfs/dbraw/zinc/84/89/55/949848955.db2.gz YKACGONXKBMZBB-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCCOC1 ZINC001575563816 949849266 /nfs/dbraw/zinc/84/92/66/949849266.db2.gz MDXBHLSICUCWCV-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCCOC1 ZINC001575563816 949849287 /nfs/dbraw/zinc/84/92/87/949849287.db2.gz MDXBHLSICUCWCV-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001574483927 949850051 /nfs/dbraw/zinc/85/00/51/949850051.db2.gz QHVDRVQIKKODLN-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001574483927 949850074 /nfs/dbraw/zinc/85/00/74/949850074.db2.gz QHVDRVQIKKODLN-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575884752 949851529 /nfs/dbraw/zinc/85/15/29/949851529.db2.gz VVASWEINPZERRF-JQWIXIFHSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575884752 949851549 /nfs/dbraw/zinc/85/15/49/949851549.db2.gz VVASWEINPZERRF-JQWIXIFHSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccn(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574723058 949853554 /nfs/dbraw/zinc/85/35/54/949853554.db2.gz ZQZXENWIUFRWRO-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccn(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574723058 949853579 /nfs/dbraw/zinc/85/35/79/949853579.db2.gz ZQZXENWIUFRWRO-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001574966677 949854587 /nfs/dbraw/zinc/85/45/87/949854587.db2.gz BCPDGYMDKGQXTA-YPMHNXCESA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001574966677 949854617 /nfs/dbraw/zinc/85/46/17/949854617.db2.gz BCPDGYMDKGQXTA-YPMHNXCESA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575283006 949855351 /nfs/dbraw/zinc/85/53/51/949855351.db2.gz DRQSBASNASEWDZ-BBATYDOGSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283006 949855369 /nfs/dbraw/zinc/85/53/69/949855369.db2.gz DRQSBASNASEWDZ-BBATYDOGSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CCn1ccnc1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575282994 949855754 /nfs/dbraw/zinc/85/57/54/949855754.db2.gz DOVDJEHITNFFQM-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM C[C@H](NC(=O)CCn1ccnc1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575282994 949855784 /nfs/dbraw/zinc/85/57/84/949855784.db2.gz DOVDJEHITNFFQM-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573824594 949857003 /nfs/dbraw/zinc/85/70/03/949857003.db2.gz HNXBWPGIEWHQSJ-UMNHJUIQSA-N -1 3 387.448 0.404 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573824594 949857024 /nfs/dbraw/zinc/85/70/24/949857024.db2.gz HNXBWPGIEWHQSJ-UMNHJUIQSA-N -1 3 387.448 0.404 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573824967 949857492 /nfs/dbraw/zinc/85/74/92/949857492.db2.gz JMBJCZAOXIBMOZ-NSHDSACASA-N -1 3 387.448 0.405 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573824967 949857504 /nfs/dbraw/zinc/85/75/04/949857504.db2.gz JMBJCZAOXIBMOZ-NSHDSACASA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574723722 949858337 /nfs/dbraw/zinc/85/83/37/949858337.db2.gz CBBYTMABBFTWMN-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574723722 949858360 /nfs/dbraw/zinc/85/83/60/949858360.db2.gz CBBYTMABBFTWMN-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575885269 949860181 /nfs/dbraw/zinc/86/01/81/949860181.db2.gz WCILYKOGLZBICZ-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575885269 949860211 /nfs/dbraw/zinc/86/02/11/949860211.db2.gz WCILYKOGLZBICZ-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574484100 949860995 /nfs/dbraw/zinc/86/09/95/949860995.db2.gz VCBGFDZODYQTAV-SNVBAGLBSA-N -1 3 376.396 0.101 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574484100 949861018 /nfs/dbraw/zinc/86/10/18/949861018.db2.gz VCBGFDZODYQTAV-SNVBAGLBSA-N -1 3 376.396 0.101 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574142129 949861325 /nfs/dbraw/zinc/86/13/25/949861325.db2.gz WKMGTOJIAKGPQR-OLZOCXBDSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574142129 949861350 /nfs/dbraw/zinc/86/13/50/949861350.db2.gz WKMGTOJIAKGPQR-OLZOCXBDSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575283353 949863158 /nfs/dbraw/zinc/86/31/58/949863158.db2.gz FSKZRYSOPQLMJU-AAEUAGOBSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283353 949863177 /nfs/dbraw/zinc/86/31/77/949863177.db2.gz FSKZRYSOPQLMJU-AAEUAGOBSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574484161 949863636 /nfs/dbraw/zinc/86/36/36/949863636.db2.gz DHBDPXCUOVAKRF-CHWSQXEVSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574484161 949863657 /nfs/dbraw/zinc/86/36/57/949863657.db2.gz DHBDPXCUOVAKRF-CHWSQXEVSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575885348 949863761 /nfs/dbraw/zinc/86/37/61/949863761.db2.gz WLINUXSPBBRDCL-KLFGWDPYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575885348 949863777 /nfs/dbraw/zinc/86/37/77/949863777.db2.gz WLINUXSPBBRDCL-KLFGWDPYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1nnc2n1CCCCC2 ZINC001575283356 949865833 /nfs/dbraw/zinc/86/58/33/949865833.db2.gz OLFVVFFYEBIKRC-LLVKDONJSA-N -1 3 382.432 0.869 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575564587 949865919 /nfs/dbraw/zinc/86/59/19/949865919.db2.gz QNKAXHKXGJRLLQ-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575564587 949865941 /nfs/dbraw/zinc/86/59/41/949865941.db2.gz QNKAXHKXGJRLLQ-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1nnc2n1CCCCC2 ZINC001575283356 949865858 /nfs/dbraw/zinc/86/58/58/949865858.db2.gz OLFVVFFYEBIKRC-LLVKDONJSA-N -1 3 382.432 0.869 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574724252 949868666 /nfs/dbraw/zinc/86/86/66/949868666.db2.gz FSBSVXUWKCLNNM-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574724252 949868682 /nfs/dbraw/zinc/86/86/82/949868682.db2.gz FSBSVXUWKCLNNM-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573825282 949869412 /nfs/dbraw/zinc/86/94/12/949869412.db2.gz PRTBKFDNGLXOMM-LBPRGKRZSA-N -1 3 392.489 0.312 20 0 GCADHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001573825374 949871852 /nfs/dbraw/zinc/87/18/52/949871852.db2.gz SYUMKJCAFVCBNK-HRCADAONSA-N -1 3 388.472 0.791 20 0 GCADHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001573825374 949871872 /nfs/dbraw/zinc/87/18/72/949871872.db2.gz SYUMKJCAFVCBNK-HRCADAONSA-N -1 3 388.472 0.791 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575885634 949872044 /nfs/dbraw/zinc/87/20/44/949872044.db2.gz KLCHONDISKGNEY-OHJULZJPSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575885634 949872073 /nfs/dbraw/zinc/87/20/73/949872073.db2.gz KLCHONDISKGNEY-OHJULZJPSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574967354 949872664 /nfs/dbraw/zinc/87/26/64/949872664.db2.gz HJRUFFDRFKELTG-SNVBAGLBSA-N -1 3 389.395 0.157 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574967354 949872681 /nfs/dbraw/zinc/87/26/81/949872681.db2.gz HJRUFFDRFKELTG-SNVBAGLBSA-N -1 3 389.395 0.157 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccn(C)n1 ZINC001575885871 949874071 /nfs/dbraw/zinc/87/40/71/949874071.db2.gz LTGMUSGTYFLCQH-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccn(C)n1 ZINC001575885871 949874095 /nfs/dbraw/zinc/87/40/95/949874095.db2.gz LTGMUSGTYFLCQH-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575283606 949874306 /nfs/dbraw/zinc/87/43/06/949874306.db2.gz QHPAGWCZZIKMHI-QWRGUYRKSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575283606 949874328 /nfs/dbraw/zinc/87/43/28/949874328.db2.gz QHPAGWCZZIKMHI-QWRGUYRKSA-N -1 3 375.433 0.777 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573825395 949876641 /nfs/dbraw/zinc/87/66/41/949876641.db2.gz ULVTWPIWJZPGET-SNVBAGLBSA-N -1 3 378.462 0.478 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573825395 949876665 /nfs/dbraw/zinc/87/66/65/949876665.db2.gz ULVTWPIWJZPGET-SNVBAGLBSA-N -1 3 378.462 0.478 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575885859 949877187 /nfs/dbraw/zinc/87/71/87/949877187.db2.gz LTEOSACSMXUBCI-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575885859 949877210 /nfs/dbraw/zinc/87/72/10/949877210.db2.gz LTEOSACSMXUBCI-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576178049 949877440 /nfs/dbraw/zinc/87/74/40/949877440.db2.gz APBMWOHJCMRYMZ-IAQYHMDHSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576178049 949877472 /nfs/dbraw/zinc/87/74/72/949877472.db2.gz APBMWOHJCMRYMZ-IAQYHMDHSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575283604 949878340 /nfs/dbraw/zinc/87/83/40/949878340.db2.gz QHPAGWCZZIKMHI-MNOVXSKESA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575283604 949878363 /nfs/dbraw/zinc/87/83/63/949878363.db2.gz QHPAGWCZZIKMHI-MNOVXSKESA-N -1 3 375.433 0.777 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575886221 949878442 /nfs/dbraw/zinc/87/84/42/949878442.db2.gz XODWXVNLAVJOCS-CMPLNLGQSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575886221 949878463 /nfs/dbraw/zinc/87/84/63/949878463.db2.gz XODWXVNLAVJOCS-CMPLNLGQSA-N -1 3 386.395 0.166 20 0 GCADHM CC(C)C[C@@H](C)N(C)C(=O)CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574142701 949878744 /nfs/dbraw/zinc/87/87/44/949878744.db2.gz AXOGPEWKMNLQQC-GFCCVEGCSA-N -1 3 388.476 0.502 20 0 GCADHM CC(C)C[C@@H](C)N(C)C(=O)CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574142701 949878768 /nfs/dbraw/zinc/87/87/68/949878768.db2.gz AXOGPEWKMNLQQC-GFCCVEGCSA-N -1 3 388.476 0.502 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CC1CCOCC1 ZINC001575886256 949879117 /nfs/dbraw/zinc/87/91/17/949879117.db2.gz XQYQACMGADSMEX-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CC1CCOCC1 ZINC001575886256 949879134 /nfs/dbraw/zinc/87/91/34/949879134.db2.gz XQYQACMGADSMEX-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575886426 949881205 /nfs/dbraw/zinc/88/12/05/949881205.db2.gz YEAYSODDJGVSFX-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575886426 949881241 /nfs/dbraw/zinc/88/12/41/949881241.db2.gz YEAYSODDJGVSFX-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cn1cccn1 ZINC001575886416 949882456 /nfs/dbraw/zinc/88/24/56/949882456.db2.gz MFZHKGDZBMWDKS-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cn1cccn1 ZINC001575886416 949882481 /nfs/dbraw/zinc/88/24/81/949882481.db2.gz MFZHKGDZBMWDKS-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H](C)c1cccnc1 ZINC001574967973 949884881 /nfs/dbraw/zinc/88/48/81/949884881.db2.gz KSQCBYCAXKWQLC-NEPJUHHUSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H](C)c1cccnc1 ZINC001574967973 949884901 /nfs/dbraw/zinc/88/49/01/949884901.db2.gz KSQCBYCAXKWQLC-NEPJUHHUSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575283748 949886489 /nfs/dbraw/zinc/88/64/89/949886489.db2.gz HHRAENBYOULSFJ-ZJUUUORDSA-N -1 3 390.423 0.574 20 0 GCADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575283748 949886518 /nfs/dbraw/zinc/88/65/18/949886518.db2.gz HHRAENBYOULSFJ-ZJUUUORDSA-N -1 3 390.423 0.574 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001574968032 949886259 /nfs/dbraw/zinc/88/62/59/949886259.db2.gz LEYNRAOMPXTMOT-MEBBXXQBSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001574968032 949886276 /nfs/dbraw/zinc/88/62/76/949886276.db2.gz LEYNRAOMPXTMOT-MEBBXXQBSA-N -1 3 379.371 0.865 20 0 GCADHM CC1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575565721 949886639 /nfs/dbraw/zinc/88/66/39/949886639.db2.gz XRRXRBVQYWJTSL-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575565721 949886664 /nfs/dbraw/zinc/88/66/64/949886664.db2.gz XRRXRBVQYWJTSL-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cnns1)C1CC1 ZINC001574968171 949888163 /nfs/dbraw/zinc/88/81/63/949888163.db2.gz MTONMOAOFYNLII-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cnns1)C1CC1 ZINC001574968171 949888179 /nfs/dbraw/zinc/88/81/79/949888179.db2.gz MTONMOAOFYNLII-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575284016 949890748 /nfs/dbraw/zinc/89/07/48/949890748.db2.gz SNZIXJDWTNVNTO-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575284016 949890763 /nfs/dbraw/zinc/89/07/63/949890763.db2.gz SNZIXJDWTNVNTO-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccncc1)C1CC1 ZINC001574968345 949892104 /nfs/dbraw/zinc/89/21/04/949892104.db2.gz OCIKMQCSEKEKQV-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccncc1)C1CC1 ZINC001574968345 949892128 /nfs/dbraw/zinc/89/21/28/949892128.db2.gz OCIKMQCSEKEKQV-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1CCNC(=O)C1CC1 ZINC001575887129 949895301 /nfs/dbraw/zinc/89/53/01/949895301.db2.gz NWWRURQQLGAGPY-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CCNC(=O)C1CC1 ZINC001575887129 949895321 /nfs/dbraw/zinc/89/53/21/949895321.db2.gz NWWRURQQLGAGPY-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574484767 949897239 /nfs/dbraw/zinc/89/72/39/949897239.db2.gz NQNSWKDEUUOYGP-GHMZBOCLSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574484767 949897255 /nfs/dbraw/zinc/89/72/55/949897255.db2.gz NQNSWKDEUUOYGP-GHMZBOCLSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575887243 949898704 /nfs/dbraw/zinc/89/87/04/949898704.db2.gz OAYPDBILJAATSM-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575887243 949898722 /nfs/dbraw/zinc/89/87/22/949898722.db2.gz OAYPDBILJAATSM-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574484743 949899036 /nfs/dbraw/zinc/89/90/36/949899036.db2.gz NGXTYGBWIYKKTO-GXSJLCMTSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574484743 949899061 /nfs/dbraw/zinc/89/90/61/949899061.db2.gz NGXTYGBWIYKKTO-GXSJLCMTSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574968613 949901665 /nfs/dbraw/zinc/90/16/65/949901665.db2.gz QWNZIUXQRBZGAS-OMPKRAJASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574968613 949901676 /nfs/dbraw/zinc/90/16/76/949901676.db2.gz QWNZIUXQRBZGAS-OMPKRAJASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)CN(C)CC(C)(C)C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574725637 949902996 /nfs/dbraw/zinc/90/29/96/949902996.db2.gz UOCJZTPIAFLREY-LBPRGKRZSA-N -1 3 375.481 0.315 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001574968762 949909673 /nfs/dbraw/zinc/90/96/73/949909673.db2.gz SCWNAWJVCHKZJF-RZAIGCCYSA-N -1 3 385.428 0.246 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001574968762 949909699 /nfs/dbraw/zinc/90/96/99/949909699.db2.gz SCWNAWJVCHKZJF-RZAIGCCYSA-N -1 3 385.428 0.246 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cn2c(n1)CCC2 ZINC001574968797 949910577 /nfs/dbraw/zinc/91/05/77/949910577.db2.gz SLRHGQXWDXFJAC-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cn2c(n1)CCC2 ZINC001574968797 949910590 /nfs/dbraw/zinc/91/05/90/949910590.db2.gz SLRHGQXWDXFJAC-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccsn1)C1CC1 ZINC001574968872 949911281 /nfs/dbraw/zinc/91/12/81/949911281.db2.gz URZLDOIBTGOTFL-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccsn1)C1CC1 ZINC001574968872 949911298 /nfs/dbraw/zinc/91/12/98/949911298.db2.gz URZLDOIBTGOTFL-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575888336 949916662 /nfs/dbraw/zinc/91/66/62/949916662.db2.gz PQWDJYDNBSYNCE-PWSUYJOCSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575888336 949916675 /nfs/dbraw/zinc/91/66/75/949916675.db2.gz PQWDJYDNBSYNCE-PWSUYJOCSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576179506 949916795 /nfs/dbraw/zinc/91/67/95/949916795.db2.gz AGBZAFMPYRWCEJ-NEPJUHHUSA-N -1 3 382.432 0.519 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)CCC1 ZINC001575569375 949917807 /nfs/dbraw/zinc/91/78/07/949917807.db2.gz JSIDNWHQTOLMJH-STQMWFEESA-N -1 3 375.408 0.647 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)CCC1 ZINC001575569375 949917826 /nfs/dbraw/zinc/91/78/26/949917826.db2.gz JSIDNWHQTOLMJH-STQMWFEESA-N -1 3 375.408 0.647 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575888996 949919580 /nfs/dbraw/zinc/91/95/80/949919580.db2.gz RAKLWCVVRNTUQI-BXKDBHETSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575888996 949919595 /nfs/dbraw/zinc/91/95/95/949919595.db2.gz RAKLWCVVRNTUQI-BXKDBHETSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cnc(Cl)n1C ZINC001574968894 949920503 /nfs/dbraw/zinc/92/05/03/949920503.db2.gz VEEOXZYYDHQENG-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cnc(Cl)n1C ZINC001574968894 949920522 /nfs/dbraw/zinc/92/05/22/949920522.db2.gz VEEOXZYYDHQENG-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2 ZINC001573827642 949924832 /nfs/dbraw/zinc/92/48/32/949924832.db2.gz NBMDHLKGMXNGTC-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2 ZINC001573827642 949924849 /nfs/dbraw/zinc/92/48/49/949924849.db2.gz NBMDHLKGMXNGTC-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575889082 949925216 /nfs/dbraw/zinc/92/52/16/949925216.db2.gz RQBFVXYUKSGVKP-YUMQZZPRSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575889082 949925239 /nfs/dbraw/zinc/92/52/39/949925239.db2.gz RQBFVXYUKSGVKP-YUMQZZPRSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574726199 949927935 /nfs/dbraw/zinc/92/79/35/949927935.db2.gz XJXGHLZSPKRQGH-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574726199 949927953 /nfs/dbraw/zinc/92/79/53/949927953.db2.gz XJXGHLZSPKRQGH-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574726228 949927993 /nfs/dbraw/zinc/92/79/93/949927993.db2.gz XXZRRFMZOWJMSI-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574726228 949928011 /nfs/dbraw/zinc/92/80/11/949928011.db2.gz XXZRRFMZOWJMSI-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cnoc1C1CC1 ZINC001574969087 949929152 /nfs/dbraw/zinc/92/91/52/949929152.db2.gz ZIOFDFACGTZYIX-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cnoc1C1CC1 ZINC001574969087 949929165 /nfs/dbraw/zinc/92/91/65/949929165.db2.gz ZIOFDFACGTZYIX-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574726260 949929387 /nfs/dbraw/zinc/92/93/87/949929387.db2.gz HLMPYQFRGRPHDB-NSHDSACASA-N -1 3 381.462 0.344 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574726260 949929402 /nfs/dbraw/zinc/92/94/02/949929402.db2.gz HLMPYQFRGRPHDB-NSHDSACASA-N -1 3 381.462 0.344 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575889618 949930447 /nfs/dbraw/zinc/93/04/47/949930447.db2.gz SZMMTDMZLCVRCR-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575889618 949930468 /nfs/dbraw/zinc/93/04/68/949930468.db2.gz SZMMTDMZLCVRCR-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C)NC(N)=O ZINC001574487614 949931281 /nfs/dbraw/zinc/93/12/81/949931281.db2.gz AEISONZRJVPVFQ-MFKMUULPSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C)NC(N)=O ZINC001574487614 949931298 /nfs/dbraw/zinc/93/12/98/949931298.db2.gz AEISONZRJVPVFQ-MFKMUULPSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574726197 949931321 /nfs/dbraw/zinc/93/13/21/949931321.db2.gz XJXGHLZSPKRQGH-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574726197 949931336 /nfs/dbraw/zinc/93/13/36/949931336.db2.gz XJXGHLZSPKRQGH-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575889455 949932560 /nfs/dbraw/zinc/93/25/60/949932560.db2.gz RYZQMDCDMLCYRX-IONNQARKSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575889455 949932579 /nfs/dbraw/zinc/93/25/79/949932579.db2.gz RYZQMDCDMLCYRX-IONNQARKSA-N -1 3 390.791 0.869 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575570144 949933492 /nfs/dbraw/zinc/93/34/92/949933492.db2.gz PVAVBLYXVFVYTJ-FZKQIMNGSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575570144 949933509 /nfs/dbraw/zinc/93/35/09/949933509.db2.gz PVAVBLYXVFVYTJ-FZKQIMNGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccn(C)c1 ZINC001575889787 949937540 /nfs/dbraw/zinc/93/75/40/949937540.db2.gz TXMYGVZEIAOGII-RISCZKNCSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccn(C)c1 ZINC001575889787 949937566 /nfs/dbraw/zinc/93/75/66/949937566.db2.gz TXMYGVZEIAOGII-RISCZKNCSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001574972549 949939645 /nfs/dbraw/zinc/93/96/45/949939645.db2.gz CYSSHVXMDKNWSK-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001574972549 949939654 /nfs/dbraw/zinc/93/96/54/949939654.db2.gz CYSSHVXMDKNWSK-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1)NC(N)=O ZINC001574488032 949942099 /nfs/dbraw/zinc/94/20/99/949942099.db2.gz CELVDOKEQPWWLG-UFBFGSQYSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1)NC(N)=O ZINC001574488032 949942114 /nfs/dbraw/zinc/94/21/14/949942114.db2.gz CELVDOKEQPWWLG-UFBFGSQYSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574488101 949942207 /nfs/dbraw/zinc/94/22/07/949942207.db2.gz DKGWIPAURORJHA-BTDLBPIBSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574488101 949942226 /nfs/dbraw/zinc/94/22/26/949942226.db2.gz DKGWIPAURORJHA-BTDLBPIBSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001574972653 949943403 /nfs/dbraw/zinc/94/34/03/949943403.db2.gz DKKKWNUJOMWVML-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001574972653 949943422 /nfs/dbraw/zinc/94/34/22/949943422.db2.gz DKKKWNUJOMWVML-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575285483 949945769 /nfs/dbraw/zinc/94/57/69/949945769.db2.gz NSXWSWQPYMQHHO-CHWSQXEVSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575285483 949945787 /nfs/dbraw/zinc/94/57/87/949945787.db2.gz NSXWSWQPYMQHHO-CHWSQXEVSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CN(C)C(=O)COc1ccccc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574726597 949945846 /nfs/dbraw/zinc/94/58/46/949945846.db2.gz KRHCOSCFYRNEHU-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CN(C)C(=O)COc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574726597 949945867 /nfs/dbraw/zinc/94/58/67/949945867.db2.gz KRHCOSCFYRNEHU-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001575890203 949947466 /nfs/dbraw/zinc/94/74/66/949947466.db2.gz WFESFVFUMBUNNB-JSGCOSHPSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001575890203 949947492 /nfs/dbraw/zinc/94/74/92/949947492.db2.gz WFESFVFUMBUNNB-JSGCOSHPSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001575890331 949948126 /nfs/dbraw/zinc/94/81/26/949948126.db2.gz WFESFVFUMBUNNB-TZMCWYRMSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001575890331 949948145 /nfs/dbraw/zinc/94/81/45/949948145.db2.gz WFESFVFUMBUNNB-TZMCWYRMSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001575285515 949948512 /nfs/dbraw/zinc/94/85/12/949948512.db2.gz NZFWSQWPSALENB-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575285515 949948536 /nfs/dbraw/zinc/94/85/36/949948536.db2.gz NZFWSQWPSALENB-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccnn1C ZINC001575890147 949948943 /nfs/dbraw/zinc/94/89/43/949948943.db2.gz VOHHJYWYXKMKMD-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccnn1C ZINC001575890147 949948953 /nfs/dbraw/zinc/94/89/53/949948953.db2.gz VOHHJYWYXKMKMD-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575571256 949952060 /nfs/dbraw/zinc/95/20/60/949952060.db2.gz ZGIUGKYAZDTOPN-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575571256 949952076 /nfs/dbraw/zinc/95/20/76/949952076.db2.gz ZGIUGKYAZDTOPN-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001574973576 949957158 /nfs/dbraw/zinc/95/71/58/949957158.db2.gz IILIGGRSPHVXKI-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001574973576 949957178 /nfs/dbraw/zinc/95/71/78/949957178.db2.gz IILIGGRSPHVXKI-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574489323 949958504 /nfs/dbraw/zinc/95/85/04/949958504.db2.gz IKFGBQFCDUNLKR-WDEREUQCSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574489323 949958519 /nfs/dbraw/zinc/95/85/19/949958519.db2.gz IKFGBQFCDUNLKR-WDEREUQCSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727232 949958868 /nfs/dbraw/zinc/95/88/68/949958868.db2.gz QGNINIVJLUNPGM-GFCCVEGCSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727232 949958889 /nfs/dbraw/zinc/95/88/89/949958889.db2.gz QGNINIVJLUNPGM-GFCCVEGCSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@H](NC(=O)CCn1cccn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575285672 949959500 /nfs/dbraw/zinc/95/95/00/949959500.db2.gz PTAOCFYZMMAAEQ-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM C[C@H](NC(=O)CCn1cccn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575285672 949959513 /nfs/dbraw/zinc/95/95/13/949959513.db2.gz PTAOCFYZMMAAEQ-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573829685 949962047 /nfs/dbraw/zinc/96/20/47/949962047.db2.gz BJCFGISWAGNVGV-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573829685 949962069 /nfs/dbraw/zinc/96/20/69/949962069.db2.gz BJCFGISWAGNVGV-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)COc1ccsc1 ZINC001574973941 949961934 /nfs/dbraw/zinc/96/19/34/949961934.db2.gz JGNSPPLWXSSTQN-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)COc1ccsc1 ZINC001574973941 949961953 /nfs/dbraw/zinc/96/19/53/949961953.db2.gz JGNSPPLWXSSTQN-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)CCCOC1 ZINC001575571992 949963385 /nfs/dbraw/zinc/96/33/85/949963385.db2.gz CCDFNNVBTPOHSP-APPDUMDISA-N -1 3 378.408 0.712 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)CCCOC1 ZINC001575571992 949963403 /nfs/dbraw/zinc/96/34/03/949963403.db2.gz CCDFNNVBTPOHSP-APPDUMDISA-N -1 3 378.408 0.712 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)CC(=O)Nc1ccccc1 ZINC001574973956 949963813 /nfs/dbraw/zinc/96/38/13/949963813.db2.gz JLIWNKJZUCMPBR-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)Nc1ccccc1 ZINC001574973956 949963835 /nfs/dbraw/zinc/96/38/35/949963835.db2.gz JLIWNKJZUCMPBR-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727447 949964554 /nfs/dbraw/zinc/96/45/54/949964554.db2.gz SWMWEKQVJGEBTR-TZMCWYRMSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001574973969 949964402 /nfs/dbraw/zinc/96/44/02/949964402.db2.gz JVBPDAGJJZQELJ-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001574973969 949964410 /nfs/dbraw/zinc/96/44/10/949964410.db2.gz JVBPDAGJJZQELJ-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC1(C(=O)N[C@@H]2COC3(CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)CCC1 ZINC001575571857 949964759 /nfs/dbraw/zinc/96/47/59/949964759.db2.gz BJWSJNJKGUOLJD-LBPRGKRZSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N[C@@H]2COC3(CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)CCC1 ZINC001575571857 949964775 /nfs/dbraw/zinc/96/47/75/949964775.db2.gz BJWSJNJKGUOLJD-LBPRGKRZSA-N -1 3 385.428 0.485 20 0 GCADHM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727447 949964571 /nfs/dbraw/zinc/96/45/71/949964571.db2.gz SWMWEKQVJGEBTR-TZMCWYRMSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)CCCOC1 ZINC001575571994 949965368 /nfs/dbraw/zinc/96/53/68/949965368.db2.gz CCDFNNVBTPOHSP-GTNSWQLSSA-N -1 3 378.408 0.712 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)CCCOC1 ZINC001575571994 949965399 /nfs/dbraw/zinc/96/53/99/949965399.db2.gz CCDFNNVBTPOHSP-GTNSWQLSSA-N -1 3 378.408 0.712 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574727532 949968579 /nfs/dbraw/zinc/96/85/79/949968579.db2.gz UWILNSSZEPOONN-LLVKDONJSA-N -1 3 375.408 0.887 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574727532 949968592 /nfs/dbraw/zinc/96/85/92/949968592.db2.gz UWILNSSZEPOONN-LLVKDONJSA-N -1 3 375.408 0.887 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1ncccn1 ZINC001574974128 949969003 /nfs/dbraw/zinc/96/90/03/949969003.db2.gz KWZORBBSRRPXLB-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1ncccn1 ZINC001574974128 949969019 /nfs/dbraw/zinc/96/90/19/949969019.db2.gz KWZORBBSRRPXLB-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573829990 949969247 /nfs/dbraw/zinc/96/92/47/949969247.db2.gz GTTDNTJFAXAGCO-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573829990 949969265 /nfs/dbraw/zinc/96/92/65/949969265.db2.gz GTTDNTJFAXAGCO-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C(C)(C)C ZINC001574489703 949969639 /nfs/dbraw/zinc/96/96/39/949969639.db2.gz LAMZRJQXGKLBDR-HONMWMINSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C(C)(C)C ZINC001574489703 949969663 /nfs/dbraw/zinc/96/96/63/949969663.db2.gz LAMZRJQXGKLBDR-HONMWMINSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574727539 949971302 /nfs/dbraw/zinc/97/13/02/949971302.db2.gz UYMCSZFLTWWTOM-SECBINFHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574727539 949971321 /nfs/dbraw/zinc/97/13/21/949971321.db2.gz UYMCSZFLTWWTOM-SECBINFHSA-N -1 3 392.851 0.700 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC1(O)CCC1 ZINC001574148028 949971672 /nfs/dbraw/zinc/97/16/72/949971672.db2.gz JAYLXWIRTCMNGM-GFCCVEGCSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1(O)CCC1 ZINC001574148028 949971681 /nfs/dbraw/zinc/97/16/81/949971681.db2.gz JAYLXWIRTCMNGM-GFCCVEGCSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC1(O)CCC1 ZINC001574148029 949971820 /nfs/dbraw/zinc/97/18/20/949971820.db2.gz JAYLXWIRTCMNGM-LBPRGKRZSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1(O)CCC1 ZINC001574148029 949971834 /nfs/dbraw/zinc/97/18/34/949971834.db2.gz JAYLXWIRTCMNGM-LBPRGKRZSA-N -1 3 389.460 0.761 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575890927 949972689 /nfs/dbraw/zinc/97/26/89/949972689.db2.gz BMIRDCVQFWBRGR-GHMZBOCLSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575890927 949972707 /nfs/dbraw/zinc/97/27/07/949972707.db2.gz BMIRDCVQFWBRGR-GHMZBOCLSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CC(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)NC(N)=O ZINC001574489972 949973169 /nfs/dbraw/zinc/97/31/69/949973169.db2.gz MDYDUKUWCMETNA-DYZYQPBXSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@H](CC(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)NC(N)=O ZINC001574489972 949973181 /nfs/dbraw/zinc/97/31/81/949973181.db2.gz MDYDUKUWCMETNA-DYZYQPBXSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCNC(=O)C1 ZINC001575572331 949973647 /nfs/dbraw/zinc/97/36/47/949973647.db2.gz GACBNZFHFIMILY-KBXCAEBGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCNC(=O)C1 ZINC001575572331 949973658 /nfs/dbraw/zinc/97/36/58/949973658.db2.gz GACBNZFHFIMILY-KBXCAEBGSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnns1 ZINC001574148118 949976121 /nfs/dbraw/zinc/97/61/21/949976121.db2.gz KXKVCOKAJVSUFN-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnns1 ZINC001574148118 949976130 /nfs/dbraw/zinc/97/61/30/949976130.db2.gz KXKVCOKAJVSUFN-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](O)C(C)C ZINC001574148128 949976373 /nfs/dbraw/zinc/97/63/73/949976373.db2.gz LAFSIQZQOUCAQL-GXTWGEPZSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](O)C(C)C ZINC001574148128 949976396 /nfs/dbraw/zinc/97/63/96/949976396.db2.gz LAFSIQZQOUCAQL-GXTWGEPZSA-N -1 3 377.449 0.472 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCOC1 ZINC001575572569 949978555 /nfs/dbraw/zinc/97/85/55/949978555.db2.gz GOVGLVWGJUQCJQ-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCOC1 ZINC001575572569 949978574 /nfs/dbraw/zinc/97/85/74/949978574.db2.gz GOVGLVWGJUQCJQ-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cn1ccnc1 ZINC001575891004 949979979 /nfs/dbraw/zinc/97/99/79/949979979.db2.gz CPHCFRFGJAKREX-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cn1ccnc1 ZINC001575891004 949979989 /nfs/dbraw/zinc/97/99/89/949979989.db2.gz CPHCFRFGJAKREX-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(F)cn1 ZINC001575891050 949981252 /nfs/dbraw/zinc/98/12/52/949981252.db2.gz DKDNFSYXRXXVRG-ONGXEEELSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(F)cn1 ZINC001575891050 949981271 /nfs/dbraw/zinc/98/12/71/949981271.db2.gz DKDNFSYXRXXVRG-ONGXEEELSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H](CC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574490222 949983819 /nfs/dbraw/zinc/98/38/19/949983819.db2.gz OWDJUQKPFGFSIR-NSHDSACASA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574490222 949983835 /nfs/dbraw/zinc/98/38/35/949983835.db2.gz OWDJUQKPFGFSIR-NSHDSACASA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574490318 949985940 /nfs/dbraw/zinc/98/59/40/949985940.db2.gz PSSZLGDQDBWOJV-YRGRVCCFSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574490318 949985963 /nfs/dbraw/zinc/98/59/63/949985963.db2.gz PSSZLGDQDBWOJV-YRGRVCCFSA-N -1 3 382.432 0.763 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1c[nH]cn1 ZINC001574148484 949986984 /nfs/dbraw/zinc/98/69/84/949986984.db2.gz OKQIIPRREKGQQL-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)COCC(F)F ZINC001575891163 949988102 /nfs/dbraw/zinc/98/81/02/949988102.db2.gz FZBWXAIYUYHDSJ-IUCAKERBSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)COCC(F)F ZINC001575891163 949988119 /nfs/dbraw/zinc/98/81/19/949988119.db2.gz FZBWXAIYUYHDSJ-IUCAKERBSA-N -1 3 383.359 0.196 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1CCOCC1 ZINC001574148477 949990084 /nfs/dbraw/zinc/99/00/84/949990084.db2.gz NZQUJRHWSUQLGS-ZDUSSCGKSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1CCOCC1 ZINC001574148477 949990102 /nfs/dbraw/zinc/99/01/02/949990102.db2.gz NZQUJRHWSUQLGS-ZDUSSCGKSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](NC(=O)CCn1ccnn1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575286743 949991030 /nfs/dbraw/zinc/99/10/30/949991030.db2.gz YDIXPLRHFIWPJJ-NXEZZACHSA-N -1 3 390.839 0.902 20 0 GCADHM C[C@@H](NC(=O)CCn1ccnn1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575286743 949991051 /nfs/dbraw/zinc/99/10/51/949991051.db2.gz YDIXPLRHFIWPJJ-NXEZZACHSA-N -1 3 390.839 0.902 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575573330 949992091 /nfs/dbraw/zinc/99/20/91/949992091.db2.gz LVWOUKGVEFHUPX-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCOC1 ZINC001575573330 949992110 /nfs/dbraw/zinc/99/21/10/949992110.db2.gz LVWOUKGVEFHUPX-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576181195 949992298 /nfs/dbraw/zinc/99/22/98/949992298.db2.gz KKWGXGZMJZUGSX-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576181195 949992317 /nfs/dbraw/zinc/99/23/17/949992317.db2.gz KKWGXGZMJZUGSX-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H](CCNc1cccc(F)c1-c1nnn[n-]1)NC(=O)C[C@H](C)NC(N)=O ZINC001574490408 949992454 /nfs/dbraw/zinc/99/24/54/949992454.db2.gz RDEAWDQPRULHAG-UWVGGRQHSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@@H](CCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C[C@H](C)NC(N)=O ZINC001574490408 949992465 /nfs/dbraw/zinc/99/24/65/949992465.db2.gz RDEAWDQPRULHAG-UWVGGRQHSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574490448 949994720 /nfs/dbraw/zinc/99/47/20/949994720.db2.gz RWWVSRXCMBSIOU-ZJUUUORDSA-N -1 3 392.489 0.312 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cncn1C 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/nfs/dbraw/zinc/99/67/68/949996768.db2.gz RFOGDXAXBVZQLZ-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCOC1 ZINC001574148836 949998266 /nfs/dbraw/zinc/99/82/66/949998266.db2.gz QZJACCOUOCLFSK-RYUDHWBXSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCOC1 ZINC001574148836 949998278 /nfs/dbraw/zinc/99/82/78/949998278.db2.gz QZJACCOUOCLFSK-RYUDHWBXSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnsn1 ZINC001574148842 949999111 /nfs/dbraw/zinc/99/91/11/949999111.db2.gz RELHZAHEUZZSEJ-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnsn1 ZINC001574148842 949999134 /nfs/dbraw/zinc/99/91/34/949999134.db2.gz RELHZAHEUZZSEJ-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnsn1 ZINC001574148899 950000242 /nfs/dbraw/zinc/00/02/42/950000242.db2.gz SFDHZKAIQWKFLL-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnsn1 ZINC001574148899 950000263 /nfs/dbraw/zinc/00/02/63/950000263.db2.gz SFDHZKAIQWKFLL-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC001575573825 950000446 /nfs/dbraw/zinc/00/04/46/950000446.db2.gz PJKJSAIZOBDCRZ-NSHDSACASA-N -1 3 378.408 0.712 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC001575573825 950000467 /nfs/dbraw/zinc/00/04/67/950000467.db2.gz PJKJSAIZOBDCRZ-NSHDSACASA-N -1 3 378.408 0.712 20 0 GCADHM CC(C)C[C@H](CNC(=O)CC1(O)CCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574149179 950001935 /nfs/dbraw/zinc/00/19/35/950001935.db2.gz UMOHXOLMPMKEKA-GFCCVEGCSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)C[C@H](CNC(=O)CC1(O)CCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574149179 950001963 /nfs/dbraw/zinc/00/19/63/950001963.db2.gz UMOHXOLMPMKEKA-GFCCVEGCSA-N -1 3 389.460 0.761 20 0 GCADHM 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ZINC001575575579 950057434 /nfs/dbraw/zinc/05/74/34/950057434.db2.gz KLMNJMGDZJVGPP-QGZVFWFLSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@]1(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCCC2)CCOC1 ZINC001575575579 950057456 /nfs/dbraw/zinc/05/74/56/950057456.db2.gz KLMNJMGDZJVGPP-QGZVFWFLSA-N -1 3 387.444 0.780 20 0 GCADHM CC(C)C[C@H](CN[C@@H](C)c1nnnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151194 950058788 /nfs/dbraw/zinc/05/87/88/950058788.db2.gz NEILXPPLPQFWEM-CMPLNLGQSA-N -1 3 387.452 0.214 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001574491989 950058828 /nfs/dbraw/zinc/05/88/28/950058828.db2.gz HYRPRKFQXIXUSW-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001574491989 950058852 /nfs/dbraw/zinc/05/88/52/950058852.db2.gz HYRPRKFQXIXUSW-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575892266 950064130 /nfs/dbraw/zinc/06/41/30/950064130.db2.gz VBZCLFHQNIEBKM-QWRGUYRKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575892266 950064153 /nfs/dbraw/zinc/06/41/53/950064153.db2.gz VBZCLFHQNIEBKM-QWRGUYRKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575892305 950064399 /nfs/dbraw/zinc/06/43/99/950064399.db2.gz VNUWFDWHHVNOBY-SCZZXKLOSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575892305 950064423 /nfs/dbraw/zinc/06/44/23/950064423.db2.gz VNUWFDWHHVNOBY-SCZZXKLOSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CCC2)CCNC(=O)C1 ZINC001575576118 950066543 /nfs/dbraw/zinc/06/65/43/950066543.db2.gz OFERJAJYXHDZCM-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CCC2)CCNC(=O)C1 ZINC001575576118 950066562 /nfs/dbraw/zinc/06/65/62/950066562.db2.gz OFERJAJYXHDZCM-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576182797 950067040 /nfs/dbraw/zinc/06/70/40/950067040.db2.gz PJXPNYRYZNSYFS-ZANVPECISA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576182797 950067054 /nfs/dbraw/zinc/06/70/54/950067054.db2.gz PJXPNYRYZNSYFS-ZANVPECISA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1cccn1 ZINC001575892493 950068871 /nfs/dbraw/zinc/06/88/71/950068871.db2.gz WSZUKRIPRQEQQL-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1cccn1 ZINC001575892493 950068894 /nfs/dbraw/zinc/06/88/94/950068894.db2.gz WSZUKRIPRQEQQL-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1CC(=O)NC(C)(C)C ZINC001575892460 950069095 /nfs/dbraw/zinc/06/90/95/950069095.db2.gz WIFNIQOHMOKYKF-RYUDHWBXSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)NC(C)(C)C ZINC001575892460 950069115 /nfs/dbraw/zinc/06/91/15/950069115.db2.gz WIFNIQOHMOKYKF-RYUDHWBXSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575892438 950069217 /nfs/dbraw/zinc/06/92/17/950069217.db2.gz VXHFXCHBWQCFPJ-ONGXEEELSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575892438 950069241 /nfs/dbraw/zinc/06/92/41/950069241.db2.gz VXHFXCHBWQCFPJ-ONGXEEELSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574976340 950069781 /nfs/dbraw/zinc/06/97/81/950069781.db2.gz QOGCKEVBGBOMHJ-QWRGUYRKSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574976340 950069797 /nfs/dbraw/zinc/06/97/97/950069797.db2.gz QOGCKEVBGBOMHJ-QWRGUYRKSA-N -1 3 385.432 0.042 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnsn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151310 950071536 /nfs/dbraw/zinc/07/15/36/950071536.db2.gz PCWCXCHVTQOVJO-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnsn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151310 950071560 /nfs/dbraw/zinc/07/15/60/950071560.db2.gz PCWCXCHVTQOVJO-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575892439 950071691 /nfs/dbraw/zinc/07/16/91/950071691.db2.gz WAWHNTWGDXDYPJ-GXSJLCMTSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575892439 950071703 /nfs/dbraw/zinc/07/17/03/950071703.db2.gz WAWHNTWGDXDYPJ-GXSJLCMTSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001574976395 950074241 /nfs/dbraw/zinc/07/42/41/950074241.db2.gz RTZRZFBDYGFBMQ-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001574976395 950074264 /nfs/dbraw/zinc/07/42/64/950074264.db2.gz RTZRZFBDYGFBMQ-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574976515 950080398 /nfs/dbraw/zinc/08/03/98/950080398.db2.gz URHHTFCYYZTIEH-OTYXRUKQSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574976515 950080421 /nfs/dbraw/zinc/08/04/21/950080421.db2.gz URHHTFCYYZTIEH-OTYXRUKQSA-N -1 3 383.387 0.908 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151453 950081384 /nfs/dbraw/zinc/08/13/84/950081384.db2.gz RILBBKQOJGRYKU-SNVBAGLBSA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151453 950081407 /nfs/dbraw/zinc/08/14/07/950081407.db2.gz RILBBKQOJGRYKU-SNVBAGLBSA-N -1 3 389.395 0.632 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COC1CCCCC1 ZINC001574976563 950084558 /nfs/dbraw/zinc/08/45/58/950084558.db2.gz VOCIWHPTHNCWJX-NSHDSACASA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC1CCCCC1 ZINC001574976563 950084582 /nfs/dbraw/zinc/08/45/82/950084582.db2.gz VOCIWHPTHNCWJX-NSHDSACASA-N -1 3 375.433 0.779 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cncn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151580 950086369 /nfs/dbraw/zinc/08/63/69/950086369.db2.gz VQDDOWWIVUEDBC-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cncn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151580 950086392 /nfs/dbraw/zinc/08/63/92/950086392.db2.gz VQDDOWWIVUEDBC-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575893441 950087655 /nfs/dbraw/zinc/08/76/55/950087655.db2.gz AAKSVMQVKKXMNH-GWCFXTLKSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575893441 950087673 /nfs/dbraw/zinc/08/76/73/950087673.db2.gz AAKSVMQVKKXMNH-GWCFXTLKSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575893640 950088455 /nfs/dbraw/zinc/08/84/55/950088455.db2.gz BBPYECNMBXLOKN-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575893640 950088471 /nfs/dbraw/zinc/08/84/71/950088471.db2.gz BBPYECNMBXLOKN-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574492600 950092702 /nfs/dbraw/zinc/09/27/02/950092702.db2.gz BRWSGBNQIGXBCV-WCQYABFASA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001574492600 950092725 /nfs/dbraw/zinc/09/27/25/950092725.db2.gz BRWSGBNQIGXBCV-WCQYABFASA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574976710 950095090 /nfs/dbraw/zinc/09/50/90/950095090.db2.gz ZEEYIMAHVJZGFN-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574976710 950095109 /nfs/dbraw/zinc/09/51/09/950095109.db2.gz ZEEYIMAHVJZGFN-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573836877 950099023 /nfs/dbraw/zinc/09/90/23/950099023.db2.gz TZXQFVNRWJAWMS-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573836877 950099039 /nfs/dbraw/zinc/09/90/39/950099039.db2.gz TZXQFVNRWJAWMS-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574976772 950099869 /nfs/dbraw/zinc/09/98/69/950099869.db2.gz AJPHDJHUDNLZPX-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574976772 950099888 /nfs/dbraw/zinc/09/98/88/950099888.db2.gz AJPHDJHUDNLZPX-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575894431 950100696 /nfs/dbraw/zinc/10/06/96/950100696.db2.gz DQGGCVXFTGIBHE-GWCFXTLKSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575894431 950100710 /nfs/dbraw/zinc/10/07/10/950100710.db2.gz DQGGCVXFTGIBHE-GWCFXTLKSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574492683 950100717 /nfs/dbraw/zinc/10/07/17/950100717.db2.gz OMYUWLDECDDXGI-NEPJUHHUSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574492683 950100734 /nfs/dbraw/zinc/10/07/34/950100734.db2.gz OMYUWLDECDDXGI-NEPJUHHUSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)c1cnon1 ZINC001576183736 950101798 /nfs/dbraw/zinc/10/17/98/950101798.db2.gz UEHSMNMBIGJJCN-RNCFNFMXSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1cnon1 ZINC001576183736 950101803 /nfs/dbraw/zinc/10/18/03/950101803.db2.gz UEHSMNMBIGJJCN-RNCFNFMXSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574492795 950101959 /nfs/dbraw/zinc/10/19/59/950101959.db2.gz CWMPIWVGXKFHPU-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574492795 950101968 /nfs/dbraw/zinc/10/19/68/950101968.db2.gz CWMPIWVGXKFHPU-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574492737 950102675 /nfs/dbraw/zinc/10/26/75/950102675.db2.gz PKXCFQVPGIQREP-QWHCGFSZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574492737 950102686 /nfs/dbraw/zinc/10/26/86/950102686.db2.gz PKXCFQVPGIQREP-QWHCGFSZSA-N -1 3 382.432 0.590 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574152431 950104204 /nfs/dbraw/zinc/10/42/04/950104204.db2.gz CAZKVSTVVDFBOY-CHWSQXEVSA-N -1 3 387.448 0.228 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574152431 950104218 /nfs/dbraw/zinc/10/42/18/950104218.db2.gz CAZKVSTVVDFBOY-CHWSQXEVSA-N -1 3 387.448 0.228 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576183859 950104455 /nfs/dbraw/zinc/10/44/55/950104455.db2.gz RRXGAAJJSZUTCM-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576183859 950104473 /nfs/dbraw/zinc/10/44/73/950104473.db2.gz RRXGAAJJSZUTCM-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574492754 950104622 /nfs/dbraw/zinc/10/46/22/950104622.db2.gz CJBILVMEXBQPSQ-RYUDHWBXSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574492754 950104638 /nfs/dbraw/zinc/10/46/38/950104638.db2.gz CJBILVMEXBQPSQ-RYUDHWBXSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576183860 950105546 /nfs/dbraw/zinc/10/55/46/950105546.db2.gz RRXGAAJJSZUTCM-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576183860 950105555 /nfs/dbraw/zinc/10/55/55/950105555.db2.gz RRXGAAJJSZUTCM-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccn2c1CCCC2 ZINC001574976961 950105641 /nfs/dbraw/zinc/10/56/41/950105641.db2.gz DFMUUKCUMCUNFC-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccn2c1CCCC2 ZINC001574976961 950105652 /nfs/dbraw/zinc/10/56/52/950105652.db2.gz DFMUUKCUMCUNFC-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575894672 950106697 /nfs/dbraw/zinc/10/66/97/950106697.db2.gz FSTPHHIBGCOHKU-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575894672 950106704 /nfs/dbraw/zinc/10/67/04/950106704.db2.gz FSTPHHIBGCOHKU-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001576183973 950108633 /nfs/dbraw/zinc/10/86/33/950108633.db2.gz UPHDSYSIXDREJZ-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc(N(C)C)cn1 ZINC001574977065 950108606 /nfs/dbraw/zinc/10/86/06/950108606.db2.gz GKXYHKBVYWZYGQ-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc(N(C)C)cn1 ZINC001574977065 950108623 /nfs/dbraw/zinc/10/86/23/950108623.db2.gz GKXYHKBVYWZYGQ-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575895118 950109067 /nfs/dbraw/zinc/10/90/67/950109067.db2.gz HHBDCLNMDFPXKQ-GWCFXTLKSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575895118 950109084 /nfs/dbraw/zinc/10/90/84/950109084.db2.gz HHBDCLNMDFPXKQ-GWCFXTLKSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccc(F)cc1F ZINC001574977032 950109275 /nfs/dbraw/zinc/10/92/75/950109275.db2.gz FJTFWPNHBKXNCJ-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccc(F)cc1F ZINC001574977032 950109291 /nfs/dbraw/zinc/10/92/91/950109291.db2.gz FJTFWPNHBKXNCJ-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733479 950113555 /nfs/dbraw/zinc/11/35/55/950113555.db2.gz CDRMIRKTWBIUEP-IJLUTSLNSA-N -1 3 382.432 0.453 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574493025 950113502 /nfs/dbraw/zinc/11/35/02/950113502.db2.gz QSGXTKHSTSOMNL-CHWSQXEVSA-N -1 3 382.432 0.590 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574152564 950113978 /nfs/dbraw/zinc/11/39/78/950113978.db2.gz GGMODWZKDMHOIQ-JSGCOSHPSA-N -1 3 387.448 0.228 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574152564 950113994 /nfs/dbraw/zinc/11/39/94/950113994.db2.gz GGMODWZKDMHOIQ-JSGCOSHPSA-N -1 3 387.448 0.228 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574977230 950114583 /nfs/dbraw/zinc/11/45/83/950114583.db2.gz HQPBOCJAASFUBT-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574977230 950114617 /nfs/dbraw/zinc/11/46/17/950114617.db2.gz HQPBOCJAASFUBT-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1ccnc1 ZINC001574493053 950114863 /nfs/dbraw/zinc/11/48/63/950114863.db2.gz RAXDETWMOLSMBC-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1ccnc1 ZINC001574493053 950114907 /nfs/dbraw/zinc/11/49/07/950114907.db2.gz RAXDETWMOLSMBC-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575582504 950115697 /nfs/dbraw/zinc/11/56/97/950115697.db2.gz DUXQNGGQJZLLRV-XIKOKIGWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575582504 950115702 /nfs/dbraw/zinc/11/57/02/950115702.db2.gz DUXQNGGQJZLLRV-XIKOKIGWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574977312 950117585 /nfs/dbraw/zinc/11/75/85/950117585.db2.gz JVQVYYUSAODRHM-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574977312 950117602 /nfs/dbraw/zinc/11/76/02/950117602.db2.gz JVQVYYUSAODRHM-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cccc(N(C)C)c1 ZINC001574977287 950117926 /nfs/dbraw/zinc/11/79/26/950117926.db2.gz JOXSBYNYUKEUBM-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cccc(N(C)C)c1 ZINC001574977287 950117943 /nfs/dbraw/zinc/11/79/43/950117943.db2.gz JOXSBYNYUKEUBM-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574977304 950117981 /nfs/dbraw/zinc/11/79/81/950117981.db2.gz JTTYPTUUYYPGOL-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574977304 950118004 /nfs/dbraw/zinc/11/80/04/950118004.db2.gz JTTYPTUUYYPGOL-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576184269 950118188 /nfs/dbraw/zinc/11/81/88/950118188.db2.gz VSQDORZVQKJIKY-NHYWBVRUSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576184269 950118203 /nfs/dbraw/zinc/11/82/03/950118203.db2.gz VSQDORZVQKJIKY-NHYWBVRUSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576184264 950118339 /nfs/dbraw/zinc/11/83/39/950118339.db2.gz VOMFWUCEXBUVQQ-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576184264 950118348 /nfs/dbraw/zinc/11/83/48/950118348.db2.gz VOMFWUCEXBUVQQ-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574733611 950119052 /nfs/dbraw/zinc/11/90/52/950119052.db2.gz DUELARDMHMAAFR-LDYMZIIASA-N -1 3 378.824 0.453 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574733611 950119062 /nfs/dbraw/zinc/11/90/62/950119062.db2.gz DUELARDMHMAAFR-LDYMZIIASA-N -1 3 378.824 0.453 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574493169 950119384 /nfs/dbraw/zinc/11/93/84/950119384.db2.gz FACIKJZUPCRSIH-YPMHNXCESA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574493169 950119404 /nfs/dbraw/zinc/11/94/04/950119404.db2.gz FACIKJZUPCRSIH-YPMHNXCESA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574977618 950124952 /nfs/dbraw/zinc/12/49/52/950124952.db2.gz MPGBJCPMNDNAGH-LEWSCRJBSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574977618 950124965 /nfs/dbraw/zinc/12/49/65/950124965.db2.gz MPGBJCPMNDNAGH-LEWSCRJBSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575896270 950126975 /nfs/dbraw/zinc/12/69/75/950126975.db2.gz LRETWNKMRKKRAL-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575896270 950126994 /nfs/dbraw/zinc/12/69/94/950126994.db2.gz LRETWNKMRKKRAL-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ncccc1-c1nnn[n-]1 ZINC001574734111 950127027 /nfs/dbraw/zinc/12/70/27/950127027.db2.gz JEBVABIQJOMNCX-UKTARXLSSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ncccc1-c1nn[n-]n1 ZINC001574734111 950127037 /nfs/dbraw/zinc/12/70/37/950127037.db2.gz JEBVABIQJOMNCX-UKTARXLSSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576184418 950127004 /nfs/dbraw/zinc/12/70/04/950127004.db2.gz VOAHHLKTEOIOSV-VXGBXAGGSA-N -1 3 387.448 0.217 20 0 GCADHM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576184418 950127016 /nfs/dbraw/zinc/12/70/16/950127016.db2.gz VOAHHLKTEOIOSV-VXGBXAGGSA-N -1 3 387.448 0.217 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CS(C)(=O)=O ZINC001574153179 950129124 /nfs/dbraw/zinc/12/91/24/950129124.db2.gz OUKGYBDLFHJSAQ-LBPRGKRZSA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CS(C)(=O)=O ZINC001574153179 950129142 /nfs/dbraw/zinc/12/91/42/950129142.db2.gz OUKGYBDLFHJSAQ-LBPRGKRZSA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574493411 950130856 /nfs/dbraw/zinc/13/08/56/950130856.db2.gz GTWKJPTVGAVJIU-ZYHUDNBSSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574493411 950130869 /nfs/dbraw/zinc/13/08/69/950130869.db2.gz GTWKJPTVGAVJIU-ZYHUDNBSSA-N -1 3 375.437 0.261 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574493597 950138683 /nfs/dbraw/zinc/13/86/83/950138683.db2.gz UQNANVFYCXUWPQ-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574493597 950138689 /nfs/dbraw/zinc/13/86/89/950138689.db2.gz UQNANVFYCXUWPQ-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574493580 950138852 /nfs/dbraw/zinc/13/88/52/950138852.db2.gz UDXOLVDGVIHXFI-UWVGGRQHSA-N -1 3 376.396 0.148 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574493580 950138859 /nfs/dbraw/zinc/13/88/59/950138859.db2.gz UDXOLVDGVIHXFI-UWVGGRQHSA-N -1 3 376.396 0.148 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575583235 950141760 /nfs/dbraw/zinc/14/17/60/950141760.db2.gz KRFFELROQZOUQS-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575583235 950141777 /nfs/dbraw/zinc/14/17/77/950141777.db2.gz KRFFELROQZOUQS-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)CC[C@H](NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1)C(N)=O ZINC001573842500 950143516 /nfs/dbraw/zinc/14/35/16/950143516.db2.gz FMPPCKMHAITFKI-LBPRGKRZSA-N -1 3 384.437 0.964 20 0 GCADHM CC(C)(C)CC[C@H](NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1)C(N)=O ZINC001573842500 950143528 /nfs/dbraw/zinc/14/35/28/950143528.db2.gz FMPPCKMHAITFKI-LBPRGKRZSA-N -1 3 384.437 0.964 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccnn1C(F)F ZINC001574978646 950144143 /nfs/dbraw/zinc/14/41/43/950144143.db2.gz UGAWUKRAIAXQBN-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccnn1C(F)F ZINC001574978646 950144157 /nfs/dbraw/zinc/14/41/57/950144157.db2.gz UGAWUKRAIAXQBN-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM CC(C)(C)CC[C@@H](NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1)C(N)=O ZINC001573842499 950144092 /nfs/dbraw/zinc/14/40/92/950144092.db2.gz FMPPCKMHAITFKI-GFCCVEGCSA-N -1 3 384.437 0.964 20 0 GCADHM CC(C)(C)CC[C@@H](NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1)C(N)=O ZINC001573842499 950144115 /nfs/dbraw/zinc/14/41/15/950144115.db2.gz FMPPCKMHAITFKI-GFCCVEGCSA-N -1 3 384.437 0.964 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574734841 950144659 /nfs/dbraw/zinc/14/46/59/950144659.db2.gz SNENWMKQMBEWCI-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574734841 950144665 /nfs/dbraw/zinc/14/46/65/950144665.db2.gz SNENWMKQMBEWCI-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccnn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575897696 950144934 /nfs/dbraw/zinc/14/49/34/950144934.db2.gz QFRNXAVTVLZBSD-GXFFZTMASA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccnn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575897696 950144951 /nfs/dbraw/zinc/14/49/51/950144951.db2.gz QFRNXAVTVLZBSD-GXFFZTMASA-N -1 3 383.391 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574734831 950145601 /nfs/dbraw/zinc/14/56/01/950145601.db2.gz SGOLGSAIXSOQDV-LMRQPLJMSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574734831 950145612 /nfs/dbraw/zinc/14/56/12/950145612.db2.gz SGOLGSAIXSOQDV-LMRQPLJMSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574734802 950145758 /nfs/dbraw/zinc/14/57/58/950145758.db2.gz RPBLHUXRULSSEN-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574734802 950145775 /nfs/dbraw/zinc/14/57/75/950145775.db2.gz RPBLHUXRULSSEN-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCC(C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576184885 950148330 /nfs/dbraw/zinc/14/83/30/950148330.db2.gz XPKRBDLHGFFPCB-ZDUSSCGKSA-N -1 3 388.476 0.503 20 0 GCADHM CC(C)(C)CCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573842503 950149185 /nfs/dbraw/zinc/14/91/85/950149185.db2.gz FNEKPGVXWAXRNP-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573842503 950149192 /nfs/dbraw/zinc/14/91/92/950149192.db2.gz FNEKPGVXWAXRNP-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574494199 950154294 /nfs/dbraw/zinc/15/42/94/950154294.db2.gz XVDMAVDZVTZPHI-JQWIXIFHSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)c1Cl ZINC001574979502 950156983 /nfs/dbraw/zinc/15/69/83/950156983.db2.gz ZXHAQDBQGYTYOB-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)c1Cl ZINC001574979502 950156994 /nfs/dbraw/zinc/15/69/94/950156994.db2.gz ZXHAQDBQGYTYOB-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575898481 950157342 /nfs/dbraw/zinc/15/73/42/950157342.db2.gz SKYJKOXOLJQZBG-MFKMUULPSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575898481 950157357 /nfs/dbraw/zinc/15/73/57/950157357.db2.gz SKYJKOXOLJQZBG-MFKMUULPSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576185130 950159067 /nfs/dbraw/zinc/15/90/67/950159067.db2.gz ZNFKEENCXOWULW-RISCZKNCSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576185130 950159078 /nfs/dbraw/zinc/15/90/78/950159078.db2.gz ZNFKEENCXOWULW-RISCZKNCSA-N -1 3 382.432 0.743 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)Cc1cncn1C ZINC001574154052 950160446 /nfs/dbraw/zinc/16/04/46/950160446.db2.gz AADZSSXWMCCJNF-GFCCVEGCSA-N -1 3 384.448 0.576 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C)c1N ZINC001574154008 950160766 /nfs/dbraw/zinc/16/07/66/950160766.db2.gz ZKCIPKMYGDKTMM-GFCCVEGCSA-N -1 3 384.448 0.834 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C)c1N ZINC001574154008 950160781 /nfs/dbraw/zinc/16/07/81/950160781.db2.gz ZKCIPKMYGDKTMM-GFCCVEGCSA-N -1 3 384.448 0.834 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574738013 950162035 /nfs/dbraw/zinc/16/20/35/950162035.db2.gz AZBCXIIVCREWGN-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574738013 950162043 /nfs/dbraw/zinc/16/20/43/950162043.db2.gz AZBCXIIVCREWGN-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCc1nsc(N(C)C)n1 ZINC001574738054 950163345 /nfs/dbraw/zinc/16/33/45/950163345.db2.gz BKMGQHRTEYMYLK-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nsc(N(C)C)n1 ZINC001574738054 950163355 /nfs/dbraw/zinc/16/33/55/950163355.db2.gz BKMGQHRTEYMYLK-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2c([nH]1)CCC2 ZINC001574738046 950163382 /nfs/dbraw/zinc/16/33/82/950163382.db2.gz BJIQXMVJOYEYRH-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2c([nH]1)CCC2 ZINC001574738046 950163396 /nfs/dbraw/zinc/16/33/96/950163396.db2.gz BJIQXMVJOYEYRH-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CCCC2)CCNC1=O ZINC001575584180 950166080 /nfs/dbraw/zinc/16/60/80/950166080.db2.gz WLEATLBTPBOFLG-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CCCC2)CCNC1=O ZINC001575584180 950166096 /nfs/dbraw/zinc/16/60/96/950166096.db2.gz WLEATLBTPBOFLG-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccnn1C ZINC001574982442 950166886 /nfs/dbraw/zinc/16/68/86/950166886.db2.gz CNAPOVHRWKMWIX-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccnn1C ZINC001574982442 950166894 /nfs/dbraw/zinc/16/68/94/950166894.db2.gz CNAPOVHRWKMWIX-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001574982458 950167980 /nfs/dbraw/zinc/16/79/80/950167980.db2.gz CUOROKZTHZSBOJ-RDTXWAMCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001574982458 950167998 /nfs/dbraw/zinc/16/79/98/950167998.db2.gz CUOROKZTHZSBOJ-RDTXWAMCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574982509 950171555 /nfs/dbraw/zinc/17/15/55/950171555.db2.gz DPCJNPGOKVGVAZ-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574982509 950171568 /nfs/dbraw/zinc/17/15/68/950171568.db2.gz DPCJNPGOKVGVAZ-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574982510 950171697 /nfs/dbraw/zinc/17/16/97/950171697.db2.gz DPCJNPGOKVGVAZ-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574982510 950171703 /nfs/dbraw/zinc/17/17/03/950171703.db2.gz DPCJNPGOKVGVAZ-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574982526 950173067 /nfs/dbraw/zinc/17/30/67/950173067.db2.gz DYDJYKJNAFLNQP-MHVRPGDESA-N -1 3 385.428 0.100 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574982526 950173083 /nfs/dbraw/zinc/17/30/83/950173083.db2.gz DYDJYKJNAFLNQP-MHVRPGDESA-N -1 3 385.428 0.100 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574738598 950174713 /nfs/dbraw/zinc/17/47/13/950174713.db2.gz HDPARVABHAEGQZ-SNVBAGLBSA-N -1 3 385.432 0.932 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574738598 950174730 /nfs/dbraw/zinc/17/47/30/950174730.db2.gz HDPARVABHAEGQZ-SNVBAGLBSA-N -1 3 385.432 0.932 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cocn2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576190900 950174911 /nfs/dbraw/zinc/17/49/11/950174911.db2.gz CJUDWJMQPXMHOC-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cocn2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576190900 950174931 /nfs/dbraw/zinc/17/49/31/950174931.db2.gz CJUDWJMQPXMHOC-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCC1 ZINC001575584620 950175079 /nfs/dbraw/zinc/17/50/79/950175079.db2.gz YZUCISRGYLJFSM-KRWDZBQOSA-N -1 3 375.408 0.648 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCC1 ZINC001575584620 950175103 /nfs/dbraw/zinc/17/51/03/950175103.db2.gz YZUCISRGYLJFSM-KRWDZBQOSA-N -1 3 375.408 0.648 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1conc1C1CC1 ZINC001574738783 950175665 /nfs/dbraw/zinc/17/56/65/950175665.db2.gz HROKXRUDYXZTSD-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1conc1C1CC1 ZINC001574738783 950175674 /nfs/dbraw/zinc/17/56/74/950175674.db2.gz HROKXRUDYXZTSD-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001574982658 950175912 /nfs/dbraw/zinc/17/59/12/950175912.db2.gz FHLXMLXRVYRNDY-IAGOWNOFSA-N -1 3 391.407 0.338 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001574982658 950175922 /nfs/dbraw/zinc/17/59/22/950175922.db2.gz FHLXMLXRVYRNDY-IAGOWNOFSA-N -1 3 391.407 0.338 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574494732 950178454 /nfs/dbraw/zinc/17/84/54/950178454.db2.gz NJLQONGSGQORII-ZYHUDNBSSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574494732 950178469 /nfs/dbraw/zinc/17/84/69/950178469.db2.gz NJLQONGSGQORII-ZYHUDNBSSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C)nc1Cl ZINC001574738896 950179863 /nfs/dbraw/zinc/17/98/63/950179863.db2.gz IYKPZOATMKVRGT-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C)nc1Cl ZINC001574738896 950179881 /nfs/dbraw/zinc/17/98/81/950179881.db2.gz IYKPZOATMKVRGT-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1c(F)cncc1F ZINC001574982695 950180689 /nfs/dbraw/zinc/18/06/89/950180689.db2.gz GDCPCUIIDMWCGA-MRVPVSSYSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1c(F)cncc1F ZINC001574982695 950180699 /nfs/dbraw/zinc/18/06/99/950180699.db2.gz GDCPCUIIDMWCGA-MRVPVSSYSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C2CC2)no1 ZINC001574739086 950181393 /nfs/dbraw/zinc/18/13/93/950181393.db2.gz LIOVGDTVYRZIPX-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C2CC2)no1 ZINC001574739086 950181405 /nfs/dbraw/zinc/18/14/05/950181405.db2.gz LIOVGDTVYRZIPX-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573844144 950181657 /nfs/dbraw/zinc/18/16/57/950181657.db2.gz CROFJJTYFKZDNH-ZIAGYGMSSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573844144 950181673 /nfs/dbraw/zinc/18/16/73/950181673.db2.gz CROFJJTYFKZDNH-ZIAGYGMSSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573844143 950183300 /nfs/dbraw/zinc/18/33/00/950183300.db2.gz CROFJJTYFKZDNH-KGLIPLIRSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573844143 950183315 /nfs/dbraw/zinc/18/33/15/950183315.db2.gz CROFJJTYFKZDNH-KGLIPLIRSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1-c1ccoc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574982770 950183411 /nfs/dbraw/zinc/18/34/11/950183411.db2.gz GSJLDCIWTARILN-VIFPVBQESA-N -1 3 380.372 0.870 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1nn(C)cc1Cl ZINC001574739201 950186823 /nfs/dbraw/zinc/18/68/23/950186823.db2.gz MVPSLAJJDCOMSW-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1nn(C)cc1Cl ZINC001574739201 950186837 /nfs/dbraw/zinc/18/68/37/950186837.db2.gz MVPSLAJJDCOMSW-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)(C)C ZINC001574494868 950188930 /nfs/dbraw/zinc/18/89/30/950188930.db2.gz PMUNJRHLAGQLSO-NWDGAFQWSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)(C)C ZINC001574494868 950188940 /nfs/dbraw/zinc/18/89/40/950188940.db2.gz PMUNJRHLAGQLSO-NWDGAFQWSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574982879 950189544 /nfs/dbraw/zinc/18/95/44/950189544.db2.gz HRAINRREANDHCT-REJLFOLJSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574982879 950189555 /nfs/dbraw/zinc/18/95/55/950189555.db2.gz HRAINRREANDHCT-REJLFOLJSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1ccnc1 ZINC001574494913 950191219 /nfs/dbraw/zinc/19/12/19/950191219.db2.gz PZOVVBRPQHNJFH-WCQYABFASA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1ccnc1 ZINC001574494913 950191241 /nfs/dbraw/zinc/19/12/41/950191241.db2.gz PZOVVBRPQHNJFH-WCQYABFASA-N -1 3 385.407 0.944 20 0 GCADHM CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCCN1C ZINC001574155458 950193049 /nfs/dbraw/zinc/19/30/49/950193049.db2.gz LPACYMPOLLNASR-KBPBESRZSA-N -1 3 387.492 0.506 20 0 GCADHM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCCN1C ZINC001574155458 950193059 /nfs/dbraw/zinc/19/30/59/950193059.db2.gz LPACYMPOLLNASR-KBPBESRZSA-N -1 3 387.492 0.506 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cnsn1)C1CC1 ZINC001574982986 950193147 /nfs/dbraw/zinc/19/31/47/950193147.db2.gz IQSMFDFTBTZHBM-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cnsn1)C1CC1 ZINC001574982986 950193160 /nfs/dbraw/zinc/19/31/60/950193160.db2.gz IQSMFDFTBTZHBM-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2csnn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900297 950194886 /nfs/dbraw/zinc/19/48/86/950194886.db2.gz DJNSNKLPQNJUDO-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2csnn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900297 950194893 /nfs/dbraw/zinc/19/48/93/950194893.db2.gz DJNSNKLPQNJUDO-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2csnn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900298 950195347 /nfs/dbraw/zinc/19/53/47/950195347.db2.gz DJNSNKLPQNJUDO-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2csnn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900298 950195355 /nfs/dbraw/zinc/19/53/55/950195355.db2.gz DJNSNKLPQNJUDO-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]nc1C1CC1 ZINC001574739414 950195681 /nfs/dbraw/zinc/19/56/81/950195681.db2.gz POAKJYQKSYORID-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]nc1C1CC1 ZINC001574739414 950195690 /nfs/dbraw/zinc/19/56/90/950195690.db2.gz POAKJYQKSYORID-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cn1cc(Cl)cn1 ZINC001574739558 950198453 /nfs/dbraw/zinc/19/84/53/950198453.db2.gz RRKWVCATALWYPY-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1cc(Cl)cn1 ZINC001574739558 950198469 /nfs/dbraw/zinc/19/84/69/950198469.db2.gz RRKWVCATALWYPY-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2csnn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575900330 950198981 /nfs/dbraw/zinc/19/89/81/950198981.db2.gz DVRPKANAZGQMLQ-RKDXNWHRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2csnn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575900330 950198999 /nfs/dbraw/zinc/19/89/99/950198999.db2.gz DVRPKANAZGQMLQ-RKDXNWHRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574495694 950208430 /nfs/dbraw/zinc/20/84/30/950208430.db2.gz UPTNWOQRPVSLBY-ZANVPECISA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574495694 950208444 /nfs/dbraw/zinc/20/84/44/950208444.db2.gz UPTNWOQRPVSLBY-ZANVPECISA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574496076 950209812 /nfs/dbraw/zinc/20/98/12/950209812.db2.gz VDJOCLQVFWVGBP-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574496076 950209828 /nfs/dbraw/zinc/20/98/28/950209828.db2.gz VDJOCLQVFWVGBP-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(F)c(-c3nnn[n-]3)c2)CCNC1=O ZINC001575586398 950210958 /nfs/dbraw/zinc/21/09/58/950210958.db2.gz HDVFSTPVKYMABA-KPZWWZAWSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(F)c(-c3nn[n-]n3)c2)CCNC1=O ZINC001575586398 950210983 /nfs/dbraw/zinc/21/09/83/950210983.db2.gz HDVFSTPVKYMABA-KPZWWZAWSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001574983339 950212786 /nfs/dbraw/zinc/21/27/86/950212786.db2.gz NHFGQFNRSGDKRK-VUAROTFHSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001574983339 950212803 /nfs/dbraw/zinc/21/28/03/950212803.db2.gz NHFGQFNRSGDKRK-VUAROTFHSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1ccnc1 ZINC001574496136 950212694 /nfs/dbraw/zinc/21/26/94/950212694.db2.gz VXDSZLJMEPMSPB-ZYHUDNBSSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1ccnc1 ZINC001574496136 950212713 /nfs/dbraw/zinc/21/27/13/950212713.db2.gz VXDSZLJMEPMSPB-ZYHUDNBSSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574983335 950214809 /nfs/dbraw/zinc/21/48/09/950214809.db2.gz NBLPZMNPTULTGE-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574983335 950214833 /nfs/dbraw/zinc/21/48/33/950214833.db2.gz NBLPZMNPTULTGE-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575901023 950215495 /nfs/dbraw/zinc/21/54/95/950215495.db2.gz JZYACJWUEZPOBM-JQWIXIFHSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575901023 950215516 /nfs/dbraw/zinc/21/55/16/950215516.db2.gz JZYACJWUEZPOBM-JQWIXIFHSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)C1(C)CCOCC1 ZINC001574983416 950220275 /nfs/dbraw/zinc/22/02/75/950220275.db2.gz OTMRRWIARAJRBY-NSHDSACASA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)C1(C)CCOCC1 ZINC001574983416 950220294 /nfs/dbraw/zinc/22/02/94/950220294.db2.gz OTMRRWIARAJRBY-NSHDSACASA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574739980 950220721 /nfs/dbraw/zinc/22/07/21/950220721.db2.gz AORNZHIWCMXLDP-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001574983389 950220811 /nfs/dbraw/zinc/22/08/11/950220811.db2.gz OGSXNDRZCAZODF-MEBBXXQBSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001574983389 950220829 /nfs/dbraw/zinc/22/08/29/950220829.db2.gz OGSXNDRZCAZODF-MEBBXXQBSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574739980 950220740 /nfs/dbraw/zinc/22/07/40/950220740.db2.gz AORNZHIWCMXLDP-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNC(=O)c1cocn1 ZINC001576192057 950222344 /nfs/dbraw/zinc/22/23/44/950222344.db2.gz LHLWABNMXUWBSH-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001574497049 950222549 /nfs/dbraw/zinc/22/25/49/950222549.db2.gz YPXNTACDRJRUKK-CMPLNLGQSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNC(=O)c1cocn1 ZINC001576192057 950222370 /nfs/dbraw/zinc/22/23/70/950222370.db2.gz LHLWABNMXUWBSH-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001574497049 950222570 /nfs/dbraw/zinc/22/25/70/950222570.db2.gz YPXNTACDRJRUKK-CMPLNLGQSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574497001 950222933 /nfs/dbraw/zinc/22/29/33/950222933.db2.gz YCAVYQPRAHAREM-WDEREUQCSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574497001 950222949 /nfs/dbraw/zinc/22/29/49/950222949.db2.gz YCAVYQPRAHAREM-WDEREUQCSA-N -1 3 392.439 0.389 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573845334 950225970 /nfs/dbraw/zinc/22/59/70/950225970.db2.gz XAQUDXCGQOSBOL-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573845334 950225989 /nfs/dbraw/zinc/22/59/89/950225989.db2.gz XAQUDXCGQOSBOL-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)(C)C ZINC001574497308 950226104 /nfs/dbraw/zinc/22/61/04/950226104.db2.gz ZEODXYMPQHIFDN-VXGBXAGGSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)(C)C ZINC001574497308 950226122 /nfs/dbraw/zinc/22/61/22/950226122.db2.gz ZEODXYMPQHIFDN-VXGBXAGGSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574156159 950229947 /nfs/dbraw/zinc/22/99/47/950229947.db2.gz XWTOTJDKINJWLX-GXFFZTMASA-N -1 3 390.423 0.630 20 0 GCADHM CC(C)C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574156159 950229960 /nfs/dbraw/zinc/22/99/60/950229960.db2.gz XWTOTJDKINJWLX-GXFFZTMASA-N -1 3 390.423 0.630 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575587660 950232818 /nfs/dbraw/zinc/23/28/18/950232818.db2.gz NLDXPSQBWZCZGC-SGTLLEGYSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575587660 950232833 /nfs/dbraw/zinc/23/28/33/950232833.db2.gz NLDXPSQBWZCZGC-SGTLLEGYSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576192250 950234928 /nfs/dbraw/zinc/23/49/28/950234928.db2.gz LDVIXSHYNKSNHT-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576192250 950234937 /nfs/dbraw/zinc/23/49/37/950234937.db2.gz LDVIXSHYNKSNHT-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573845801 950239432 /nfs/dbraw/zinc/23/94/32/950239432.db2.gz MSBCVPMXBRIWJV-WCFLWFBJSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573845801 950239445 /nfs/dbraw/zinc/23/94/45/950239445.db2.gz MSBCVPMXBRIWJV-WCFLWFBJSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ncccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575587896 950242023 /nfs/dbraw/zinc/24/20/23/950242023.db2.gz OXQGMFVLOCAEDM-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ncccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575587896 950242044 /nfs/dbraw/zinc/24/20/44/950242044.db2.gz OXQGMFVLOCAEDM-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901874 950243010 /nfs/dbraw/zinc/24/30/10/950243010.db2.gz RDYSLPMURMVVQI-HTQZYQBOSA-N -1 3 388.413 0.390 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901877 950243511 /nfs/dbraw/zinc/24/35/11/950243511.db2.gz RDYSLPMURMVVQI-YUMQZZPRSA-N -1 3 388.413 0.390 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1ccsc1 ZINC001574741381 950244452 /nfs/dbraw/zinc/24/44/52/950244452.db2.gz AQYZYLOAHCSUHC-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1ccsc1 ZINC001574741381 950244467 /nfs/dbraw/zinc/24/44/67/950244467.db2.gz AQYZYLOAHCSUHC-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573846159 950245395 /nfs/dbraw/zinc/24/53/95/950245395.db2.gz OZDQUEBDWSOVCM-WCFLWFBJSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573846159 950245408 /nfs/dbraw/zinc/24/54/08/950245408.db2.gz OZDQUEBDWSOVCM-WCFLWFBJSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576192477 950247784 /nfs/dbraw/zinc/24/77/84/950247784.db2.gz OJDQDQMTQAYTQS-MNOVXSKESA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576192477 950247806 /nfs/dbraw/zinc/24/78/06/950247806.db2.gz OJDQDQMTQAYTQS-MNOVXSKESA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@H]1CCOC1 ZINC001574741636 950248357 /nfs/dbraw/zinc/24/83/57/950248357.db2.gz KDZXHXSQNJDHKL-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@H]1CCOC1 ZINC001574741636 950248374 /nfs/dbraw/zinc/24/83/74/950248374.db2.gz KDZXHXSQNJDHKL-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cnn(C)c1Cl ZINC001574983906 950249423 /nfs/dbraw/zinc/24/94/23/950249423.db2.gz UVDDTSFXHGRARR-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cnn(C)c1Cl ZINC001574983906 950249442 /nfs/dbraw/zinc/24/94/42/950249442.db2.gz UVDDTSFXHGRARR-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001574497949 950251866 /nfs/dbraw/zinc/25/18/66/950251866.db2.gz GYMRAXXWLMXCIE-RISCZKNCSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001574497949 950251884 /nfs/dbraw/zinc/25/18/84/950251884.db2.gz GYMRAXXWLMXCIE-RISCZKNCSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575902280 950256065 /nfs/dbraw/zinc/25/60/65/950256065.db2.gz UGRBPLVFTICBMT-RKDXNWHRSA-N -1 3 387.429 0.606 20 0 GCADHM CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2ccc(-c3nnn[n-]3)s2)nn1 ZINC001573849763 950257399 /nfs/dbraw/zinc/25/73/99/950257399.db2.gz AVUUKPUGENHPPB-UHFFFAOYSA-N -1 3 390.429 0.791 20 0 GCADHM CC(C)(C)OC(=O)C1=NO[C@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)C1 ZINC001573849767 950259891 /nfs/dbraw/zinc/25/98/91/950259891.db2.gz BBVHAKHKHQPRPU-VIFPVBQESA-N -1 3 388.388 0.892 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)CC(C)(C)O ZINC001576192696 950261430 /nfs/dbraw/zinc/26/14/30/950261430.db2.gz QBXCRVXGUOSVMS-NEPJUHHUSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)CC(C)(C)O ZINC001576192696 950261451 /nfs/dbraw/zinc/26/14/51/950261451.db2.gz QBXCRVXGUOSVMS-NEPJUHHUSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)CC(C)(C)O ZINC001576192698 950263056 /nfs/dbraw/zinc/26/30/56/950263056.db2.gz QBXCRVXGUOSVMS-RYUDHWBXSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)CC(C)(C)O ZINC001576192698 950263078 /nfs/dbraw/zinc/26/30/78/950263078.db2.gz QBXCRVXGUOSVMS-RYUDHWBXSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574984260 950264322 /nfs/dbraw/zinc/26/43/22/950264322.db2.gz XGKALUIJRMDQHA-MRVPVSSYSA-N -1 3 389.807 0.476 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574984260 950264341 /nfs/dbraw/zinc/26/43/41/950264341.db2.gz XGKALUIJRMDQHA-MRVPVSSYSA-N -1 3 389.807 0.476 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C[C@H](O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573849875 950265203 /nfs/dbraw/zinc/26/52/03/950265203.db2.gz DTRZFJUHLDMIKH-GJZGRUSLSA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C[C@H](O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573849875 950265223 /nfs/dbraw/zinc/26/52/23/950265223.db2.gz DTRZFJUHLDMIKH-GJZGRUSLSA-N -1 3 375.429 0.943 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001574498200 950266406 /nfs/dbraw/zinc/26/64/06/950266406.db2.gz LDYNDCGHFMTWGK-JQWIXIFHSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001574498200 950266428 /nfs/dbraw/zinc/26/64/28/950266428.db2.gz LDYNDCGHFMTWGK-JQWIXIFHSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCCC1)NC(N)=O ZINC001574498180 950266743 /nfs/dbraw/zinc/26/67/43/950266743.db2.gz KUTQBADVTGBRKC-NSHDSACASA-N -1 3 387.448 0.550 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCCC1)NC(N)=O ZINC001574498180 950266765 /nfs/dbraw/zinc/26/67/65/950266765.db2.gz KUTQBADVTGBRKC-NSHDSACASA-N -1 3 387.448 0.550 20 0 GCADHM C[C@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574498146 950267587 /nfs/dbraw/zinc/26/75/87/950267587.db2.gz KKWIODHGAWHGIQ-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574498146 950267607 /nfs/dbraw/zinc/26/76/07/950267607.db2.gz KKWIODHGAWHGIQ-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cnccn1)C1CC1 ZINC001574984440 950271895 /nfs/dbraw/zinc/27/18/95/950271895.db2.gz ZRBIBEGTTLEAPX-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cnccn1)C1CC1 ZINC001574984440 950271916 /nfs/dbraw/zinc/27/19/16/950271916.db2.gz ZRBIBEGTTLEAPX-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc(C2CC2)o1 ZINC001574742242 950272769 /nfs/dbraw/zinc/27/27/69/950272769.db2.gz JHXFCPAPORFZDE-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc(C2CC2)o1 ZINC001574742242 950272787 /nfs/dbraw/zinc/27/27/87/950272787.db2.gz JHXFCPAPORFZDE-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001574984415 950273441 /nfs/dbraw/zinc/27/34/41/950273441.db2.gz ZHJJLYAGZRSIRR-VOJFVSQTSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001574984415 950273457 /nfs/dbraw/zinc/27/34/57/950273457.db2.gz ZHJJLYAGZRSIRR-VOJFVSQTSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](OCC1CC1)C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574742181 950274054 /nfs/dbraw/zinc/27/40/54/950274054.db2.gz HLJJMJUDCOISJN-WDEREUQCSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](OCC1CC1)C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574742181 950274061 /nfs/dbraw/zinc/27/40/61/950274061.db2.gz HLJJMJUDCOISJN-WDEREUQCSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574984483 950275518 /nfs/dbraw/zinc/27/55/18/950275518.db2.gz YGTLSLRHGURCCR-MRVPVSSYSA-N -1 3 387.379 0.083 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574984483 950275543 /nfs/dbraw/zinc/27/55/43/950275543.db2.gz YGTLSLRHGURCCR-MRVPVSSYSA-N -1 3 387.379 0.083 20 0 GCADHM C[C@@]1(C(=O)NCCN(c2ncc(-c3nnn[n-]3)cc2F)C2CC2)CCOC1 ZINC001575592072 950275870 /nfs/dbraw/zinc/27/58/70/950275870.db2.gz BQWDNLHPIFLHQK-QGZVFWFLSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@]1(C(=O)NCCN(c2ncc(-c3nn[n-]n3)cc2F)C2CC2)CCOC1 ZINC001575592072 950275888 /nfs/dbraw/zinc/27/58/88/950275888.db2.gz BQWDNLHPIFLHQK-QGZVFWFLSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@]1(C(=O)NCCN(c2ccc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575592218 950280183 /nfs/dbraw/zinc/28/01/83/950280183.db2.gz DGYAGRSFENVYGH-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573850627 950280278 /nfs/dbraw/zinc/28/02/78/950280278.db2.gz LSIGRMJCCJHCFV-LLVKDONJSA-N -1 3 375.389 0.836 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573850627 950280293 /nfs/dbraw/zinc/28/02/93/950280293.db2.gz LSIGRMJCCJHCFV-LLVKDONJSA-N -1 3 375.389 0.836 20 0 GCADHM C[C@@]1(C(=O)NCCN(c2ccc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575592218 950280198 /nfs/dbraw/zinc/28/01/98/950280198.db2.gz DGYAGRSFENVYGH-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1ccncn1 ZINC001574742258 950280368 /nfs/dbraw/zinc/28/03/68/950280368.db2.gz JNCGFIOXCMETPA-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1ccncn1 ZINC001574742258 950280383 /nfs/dbraw/zinc/28/03/83/950280383.db2.gz JNCGFIOXCMETPA-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCNC1=O ZINC001574158514 950281886 /nfs/dbraw/zinc/28/18/86/950281886.db2.gz BVZDBSSLMADJDF-STQMWFEESA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCNC1=O ZINC001574158514 950281906 /nfs/dbraw/zinc/28/19/06/950281906.db2.gz BVZDBSSLMADJDF-STQMWFEESA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCO1 ZINC001574498656 950281688 /nfs/dbraw/zinc/28/16/88/950281688.db2.gz PDNAEDHBPAEHOR-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCO1 ZINC001574498656 950281712 /nfs/dbraw/zinc/28/17/12/950281712.db2.gz PDNAEDHBPAEHOR-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NC1CCCCC1 ZINC001574987218 950282683 /nfs/dbraw/zinc/28/26/83/950282683.db2.gz APYSMISLIYUEKN-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NC1CCCCC1 ZINC001574987218 950282707 /nfs/dbraw/zinc/28/27/07/950282707.db2.gz APYSMISLIYUEKN-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cnc(Cl)n1C ZINC001574987221 950283272 /nfs/dbraw/zinc/28/32/72/950283272.db2.gz AQTSCYJVRXXATQ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cnc(Cl)n1C ZINC001574987221 950283289 /nfs/dbraw/zinc/28/32/89/950283289.db2.gz AQTSCYJVRXXATQ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001574498672 950283338 /nfs/dbraw/zinc/28/33/38/950283338.db2.gz PFORLLCZLKPRIZ-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001574498672 950283357 /nfs/dbraw/zinc/28/33/57/950283357.db2.gz PFORLLCZLKPRIZ-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001574987379 950285357 /nfs/dbraw/zinc/28/53/57/950285357.db2.gz BSZSTBFQOSKPLM-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001574987379 950285375 /nfs/dbraw/zinc/28/53/75/950285375.db2.gz BSZSTBFQOSKPLM-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc(C2CC2)no1 ZINC001574987254 950287016 /nfs/dbraw/zinc/28/70/16/950287016.db2.gz BCZHTTUSRMBUAR-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc(C2CC2)no1 ZINC001574987254 950287041 /nfs/dbraw/zinc/28/70/41/950287041.db2.gz BCZHTTUSRMBUAR-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1ccnc1 ZINC001574498878 950287607 /nfs/dbraw/zinc/28/76/07/950287607.db2.gz QRYGZQMFQNNIRH-JQWIXIFHSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1ccnc1 ZINC001574498878 950287627 /nfs/dbraw/zinc/28/76/27/950287627.db2.gz QRYGZQMFQNNIRH-JQWIXIFHSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1ccncc1 ZINC001574498850 950289329 /nfs/dbraw/zinc/28/93/29/950289329.db2.gz QGEUUWIJJFSTLM-WFASDCNBSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1ccncc1 ZINC001574498850 950289343 /nfs/dbraw/zinc/28/93/43/950289343.db2.gz QGEUUWIJJFSTLM-WFASDCNBSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001574987469 950289394 /nfs/dbraw/zinc/28/93/94/950289394.db2.gz DTHZJCKFNYINDX-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001574987469 950289411 /nfs/dbraw/zinc/28/94/11/950289411.db2.gz DTHZJCKFNYINDX-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001574987468 950293214 /nfs/dbraw/zinc/29/32/14/950293214.db2.gz DTHZJCKFNYINDX-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001574987468 950293229 /nfs/dbraw/zinc/29/32/29/950293229.db2.gz DTHZJCKFNYINDX-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@]1(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nc2)CCCS1(=O)=O ZINC001575592508 950293730 /nfs/dbraw/zinc/29/37/30/950293730.db2.gz BIMQGTSXUMFAKQ-RXYHWBRQSA-N -1 3 391.457 0.313 20 0 GCADHM C[C@]1(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nc2)CCCS1(=O)=O ZINC001575592508 950293749 /nfs/dbraw/zinc/29/37/49/950293749.db2.gz BIMQGTSXUMFAKQ-RXYHWBRQSA-N -1 3 391.457 0.313 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001574742525 950293934 /nfs/dbraw/zinc/29/39/34/950293934.db2.gz MVIMMAHWMYPYAZ-NWDGAFQWSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001574742525 950293947 /nfs/dbraw/zinc/29/39/47/950293947.db2.gz MVIMMAHWMYPYAZ-NWDGAFQWSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CO1 ZINC001573851370 950294327 /nfs/dbraw/zinc/29/43/27/950294327.db2.gz WIBGWIQKOIXJKM-UWVGGRQHSA-N -1 3 377.405 0.813 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574742529 950294401 /nfs/dbraw/zinc/29/44/01/950294401.db2.gz MVZHZLPLAALHDZ-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574742529 950294417 /nfs/dbraw/zinc/29/44/17/950294417.db2.gz MVZHZLPLAALHDZ-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574499098 950294766 /nfs/dbraw/zinc/29/47/66/950294766.db2.gz RYNZRBWPZOWMJB-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574499098 950294791 /nfs/dbraw/zinc/29/47/91/950294791.db2.gz RYNZRBWPZOWMJB-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cn(C)nc1Cl ZINC001574987635 950295409 /nfs/dbraw/zinc/29/54/09/950295409.db2.gz GMQQWDVGTIOMTH-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cn(C)nc1Cl ZINC001574987635 950295427 /nfs/dbraw/zinc/29/54/27/950295427.db2.gz GMQQWDVGTIOMTH-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@]1(C(=O)NCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCOC1 ZINC001575592667 950296265 /nfs/dbraw/zinc/29/62/65/950296265.db2.gz JBJJHLKUNNESKC-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCOC1 ZINC001575592667 950296279 /nfs/dbraw/zinc/29/62/79/950296279.db2.gz JBJJHLKUNNESKC-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCOC1 ZINC001575592665 950298900 /nfs/dbraw/zinc/29/89/00/950298900.db2.gz JBJJHLKUNNESKC-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCOC1 ZINC001575592665 950298912 /nfs/dbraw/zinc/29/89/12/950298912.db2.gz JBJJHLKUNNESKC-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1)c1ccncc1 ZINC001574499475 950303920 /nfs/dbraw/zinc/30/39/20/950303920.db2.gz WGIHHFOXIAQPGF-OCCSQVGLSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1)c1ccncc1 ZINC001574499475 950303935 /nfs/dbraw/zinc/30/39/35/950303935.db2.gz WGIHHFOXIAQPGF-OCCSQVGLSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cscn1 ZINC001574742741 950305778 /nfs/dbraw/zinc/30/57/78/950305778.db2.gz PPXVQIHRIORRQD-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cscn1 ZINC001574742741 950305801 /nfs/dbraw/zinc/30/58/01/950305801.db2.gz PPXVQIHRIORRQD-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001574742891 950308123 /nfs/dbraw/zinc/30/81/23/950308123.db2.gz QDWROJXBFZYVGV-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001574742891 950308146 /nfs/dbraw/zinc/30/81/46/950308146.db2.gz QDWROJXBFZYVGV-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574742926 950310213 /nfs/dbraw/zinc/31/02/13/950310213.db2.gz QNRFGADEFQDXSE-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574742926 950310233 /nfs/dbraw/zinc/31/02/33/950310233.db2.gz QNRFGADEFQDXSE-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccon2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576193719 950310422 /nfs/dbraw/zinc/31/04/22/950310422.db2.gz VQFRRCMAUMMCQX-GHMZBOCLSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccon2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576193719 950310441 /nfs/dbraw/zinc/31/04/41/950310441.db2.gz VQFRRCMAUMMCQX-GHMZBOCLSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cccnc1 ZINC001574987974 950311411 /nfs/dbraw/zinc/31/14/11/950311411.db2.gz KAQUEAOWPDKYIB-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cccnc1 ZINC001574987974 950311430 /nfs/dbraw/zinc/31/14/30/950311430.db2.gz KAQUEAOWPDKYIB-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574743028 950313387 /nfs/dbraw/zinc/31/33/87/950313387.db2.gz RHTIOYXPBIDNCX-QMMMGPOBSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574743028 950313408 /nfs/dbraw/zinc/31/34/08/950313408.db2.gz RHTIOYXPBIDNCX-QMMMGPOBSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574743123 950314643 /nfs/dbraw/zinc/31/46/43/950314643.db2.gz RXBJJEMTBARYDR-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574743123 950314667 /nfs/dbraw/zinc/31/46/67/950314667.db2.gz RXBJJEMTBARYDR-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](CO)C1 ZINC001573853134 950317918 /nfs/dbraw/zinc/31/79/18/950317918.db2.gz LUUYWELJAFNSRP-NSHDSACASA-N -1 3 377.405 0.249 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](CO)C1 ZINC001573853134 950317940 /nfs/dbraw/zinc/31/79/40/950317940.db2.gz LUUYWELJAFNSRP-NSHDSACASA-N -1 3 377.405 0.249 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574501091 950318383 /nfs/dbraw/zinc/31/83/83/950318383.db2.gz BAAVWZRTUIUZSJ-NXEZZACHSA-N -1 3 378.462 0.066 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574501091 950318409 /nfs/dbraw/zinc/31/84/09/950318409.db2.gz BAAVWZRTUIUZSJ-NXEZZACHSA-N -1 3 378.462 0.066 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COC1CCCC1 ZINC001574743140 950319666 /nfs/dbraw/zinc/31/96/66/950319666.db2.gz SDWQIALZXOJILJ-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC1CCCC1 ZINC001574743140 950319689 /nfs/dbraw/zinc/31/96/89/950319689.db2.gz SDWQIALZXOJILJ-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCCO2)CC1 ZINC001575593523 950320148 /nfs/dbraw/zinc/32/01/48/950320148.db2.gz HDDSVDDTCJOFGQ-GFCCVEGCSA-N -1 3 375.408 0.912 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCCO2)CC1 ZINC001575593523 950320177 /nfs/dbraw/zinc/32/01/77/950320177.db2.gz HDDSVDDTCJOFGQ-GFCCVEGCSA-N -1 3 375.408 0.912 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2c2ncccc2-c2nnn[n-]2)CCOCC1 ZINC001575593973 950322631 /nfs/dbraw/zinc/32/26/31/950322631.db2.gz IQKJRTHRGKEOIW-CYBMUJFWSA-N -1 3 387.444 0.400 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2c2ncccc2-c2nn[n-]n2)CCOCC1 ZINC001575593973 950322650 /nfs/dbraw/zinc/32/26/50/950322650.db2.gz IQKJRTHRGKEOIW-CYBMUJFWSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cncn1C ZINC001574988213 950324522 /nfs/dbraw/zinc/32/45/22/950324522.db2.gz OQZNXLOVCGJKOC-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cncn1C ZINC001574988213 950324545 /nfs/dbraw/zinc/32/45/45/950324545.db2.gz OQZNXLOVCGJKOC-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)c1cccnc1 ZINC001574743420 950325971 /nfs/dbraw/zinc/32/59/71/950325971.db2.gz SPKVEKVIKVWBHQ-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)c1cccnc1 ZINC001574743420 950325996 /nfs/dbraw/zinc/32/59/96/950325996.db2.gz SPKVEKVIKVWBHQ-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573853672 950327936 /nfs/dbraw/zinc/32/79/36/950327936.db2.gz SHPYJXSKOWTIRG-UHFFFAOYSA-N -1 3 391.432 0.687 20 0 GCADHM CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573853672 950327957 /nfs/dbraw/zinc/32/79/57/950327957.db2.gz SHPYJXSKOWTIRG-UHFFFAOYSA-N -1 3 391.432 0.687 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574501462 950329354 /nfs/dbraw/zinc/32/93/54/950329354.db2.gz DPKWMLQOLNSFML-GXFFZTMASA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574501462 950329378 /nfs/dbraw/zinc/32/93/78/950329378.db2.gz DPKWMLQOLNSFML-GXFFZTMASA-N -1 3 390.423 0.143 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001573853728 950329399 /nfs/dbraw/zinc/32/93/99/950329399.db2.gz UVJFQKYQFVBNTL-BXKDBHETSA-N -1 3 377.405 0.295 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001573853728 950329419 /nfs/dbraw/zinc/32/94/19/950329419.db2.gz UVJFQKYQFVBNTL-BXKDBHETSA-N -1 3 377.405 0.295 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574501317 950330289 /nfs/dbraw/zinc/33/02/89/950330289.db2.gz CYCSRXQAUPZNMK-CMPLNLGQSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574501317 950330308 /nfs/dbraw/zinc/33/03/08/950330308.db2.gz CYCSRXQAUPZNMK-CMPLNLGQSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]1(C)CCCOC1 ZINC001574743719 950331711 /nfs/dbraw/zinc/33/17/11/950331711.db2.gz VMKXPGJGGGBKPK-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]1(C)CCCOC1 ZINC001574743719 950331730 /nfs/dbraw/zinc/33/17/30/950331730.db2.gz VMKXPGJGGGBKPK-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1nn(C)cc1Cl ZINC001574988370 950332808 /nfs/dbraw/zinc/33/28/08/950332808.db2.gz QJRXGMTYFOYZIA-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1nn(C)cc1Cl ZINC001574988370 950332827 /nfs/dbraw/zinc/33/28/27/950332827.db2.gz QJRXGMTYFOYZIA-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574743685 950336443 /nfs/dbraw/zinc/33/64/43/950336443.db2.gz VMGWMWMDZXGULV-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574743685 950336469 /nfs/dbraw/zinc/33/64/69/950336469.db2.gz VMGWMWMDZXGULV-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2n[nH]cc2-c2nnn[n-]2)CC1 ZINC001573853989 950337365 /nfs/dbraw/zinc/33/73/65/950337365.db2.gz WACNDUNYXHHBLB-UHFFFAOYSA-N -1 3 391.436 0.471 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(CCC(=O)Nc2n[nH]cc2-c2nn[n-]n2)CC1 ZINC001573853989 950337382 /nfs/dbraw/zinc/33/73/82/950337382.db2.gz WACNDUNYXHHBLB-UHFFFAOYSA-N -1 3 391.436 0.471 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574744049 950341093 /nfs/dbraw/zinc/34/10/93/950341093.db2.gz WINUVNWGXXRGDD-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574744049 950341114 /nfs/dbraw/zinc/34/11/14/950341114.db2.gz WINUVNWGXXRGDD-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)NC(N)=O ZINC001574501675 950342758 /nfs/dbraw/zinc/34/27/58/950342758.db2.gz GCGLGDDIZMGLNI-JTQLQIEISA-N -1 3 390.423 0.001 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNC(=O)c1cocn1 ZINC001576194419 950344417 /nfs/dbraw/zinc/34/44/17/950344417.db2.gz ZUMRCYZMIPCWGU-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNC(=O)c1cocn1 ZINC001576194419 950344440 /nfs/dbraw/zinc/34/44/40/950344440.db2.gz ZUMRCYZMIPCWGU-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1nccs1 ZINC001574744124 950345170 /nfs/dbraw/zinc/34/51/70/950345170.db2.gz XEUBQILQAHUJFE-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1nccs1 ZINC001574744124 950345186 /nfs/dbraw/zinc/34/51/86/950345186.db2.gz XEUBQILQAHUJFE-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CS(C)(=O)=O ZINC001574160921 950348388 /nfs/dbraw/zinc/34/83/88/950348388.db2.gz QZKQYBMDJIIYFJ-NSHDSACASA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CS(C)(=O)=O ZINC001574160921 950348407 /nfs/dbraw/zinc/34/84/07/950348407.db2.gz QZKQYBMDJIIYFJ-NSHDSACASA-N -1 3 381.462 0.249 20 0 GCADHM C[C@H](CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574501935 950349629 /nfs/dbraw/zinc/34/96/29/950349629.db2.gz HVPRNXLMBPZZGJ-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574501935 950349650 /nfs/dbraw/zinc/34/96/50/950349650.db2.gz HVPRNXLMBPZZGJ-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM CC(C)(C)N1C[C@@H](C(=O)NCCCNc2ccc(-c3nnn[n-]3)cn2)CC1=O ZINC001573854755 950352930 /nfs/dbraw/zinc/35/29/30/950352930.db2.gz FOLLWIXBZKYDKY-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)N1C[C@@H](C(=O)NCCCNc2ccc(-c3nn[n-]n3)cn2)CC1=O ZINC001573854755 950352951 /nfs/dbraw/zinc/35/29/51/950352951.db2.gz FOLLWIXBZKYDKY-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574744459 950353296 /nfs/dbraw/zinc/35/32/96/950353296.db2.gz YRDSMUWOEPIGBV-DGCLKSJQSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574744459 950353313 /nfs/dbraw/zinc/35/33/13/950353313.db2.gz YRDSMUWOEPIGBV-DGCLKSJQSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)c1ccnn1C ZINC001574744537 950358959 /nfs/dbraw/zinc/35/89/59/950358959.db2.gz ZWUPWLRSNZQIIP-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)c1ccnn1C ZINC001574744537 950358984 /nfs/dbraw/zinc/35/89/84/950358984.db2.gz ZWUPWLRSNZQIIP-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001574989430 950359698 /nfs/dbraw/zinc/35/96/98/950359698.db2.gz ZEIXTMWGFBUYEZ-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001574989430 950359718 /nfs/dbraw/zinc/35/97/18/950359718.db2.gz ZEIXTMWGFBUYEZ-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)CCCOC1 ZINC001575595668 950360706 /nfs/dbraw/zinc/36/07/06/950360706.db2.gz PTRMWPXOJPIBRL-KDOFPFPSSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)CCCOC1 ZINC001575595668 950360721 /nfs/dbraw/zinc/36/07/21/950360721.db2.gz PTRMWPXOJPIBRL-KDOFPFPSSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574502175 950363916 /nfs/dbraw/zinc/36/39/16/950363916.db2.gz KCJNUWFMGXPOBA-VHSXEESVSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574502175 950363940 /nfs/dbraw/zinc/36/39/40/950363940.db2.gz KCJNUWFMGXPOBA-VHSXEESVSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575596346 950370949 /nfs/dbraw/zinc/37/09/49/950370949.db2.gz CWEIPBFGNFSSSH-WHWRDJHUSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575596346 950370964 /nfs/dbraw/zinc/37/09/64/950370964.db2.gz CWEIPBFGNFSSSH-WHWRDJHUSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574502336 950373480 /nfs/dbraw/zinc/37/34/80/950373480.db2.gz LZNRPKXJSMITKD-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574502336 950373500 /nfs/dbraw/zinc/37/35/00/950373500.db2.gz LZNRPKXJSMITKD-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575908701 950374148 /nfs/dbraw/zinc/37/41/48/950374148.db2.gz DHFZPCJLWMLSJX-FZMZJTMJSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575908701 950374169 /nfs/dbraw/zinc/37/41/69/950374169.db2.gz DHFZPCJLWMLSJX-FZMZJTMJSA-N -1 3 382.432 0.424 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574162086 950375922 /nfs/dbraw/zinc/37/59/22/950375922.db2.gz YXISLQYUHJDCAN-QWHCGFSZSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574162086 950375926 /nfs/dbraw/zinc/37/59/26/950375926.db2.gz YXISLQYUHJDCAN-QWHCGFSZSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1conc1C1CC1 ZINC001574745174 950378843 /nfs/dbraw/zinc/37/88/43/950378843.db2.gz GJYFATXZCJRSAB-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1conc1C1CC1 ZINC001574745174 950378865 /nfs/dbraw/zinc/37/88/65/950378865.db2.gz GJYFATXZCJRSAB-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nnsc1Cl ZINC001574990926 950380913 /nfs/dbraw/zinc/38/09/13/950380913.db2.gz GMXGPJOOMAINTN-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nnsc1Cl ZINC001574990926 950380935 /nfs/dbraw/zinc/38/09/35/950380935.db2.gz GMXGPJOOMAINTN-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1coc(C2CC2)n1 ZINC001574745819 950386223 /nfs/dbraw/zinc/38/62/23/950386223.db2.gz KTJPQOYOAYYZEH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1coc(C2CC2)n1 ZINC001574745819 950386243 /nfs/dbraw/zinc/38/62/43/950386243.db2.gz KTJPQOYOAYYZEH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCCCO1 ZINC001574991161 950388725 /nfs/dbraw/zinc/38/87/25/950388725.db2.gz HZEMLMXALZBZCJ-WCQYABFASA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCCCO1 ZINC001574991161 950388741 /nfs/dbraw/zinc/38/87/41/950388741.db2.gz HZEMLMXALZBZCJ-WCQYABFASA-N -1 3 375.433 0.779 20 0 GCADHM CC1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575596938 950391139 /nfs/dbraw/zinc/39/11/39/950391139.db2.gz JSWYSADXOVMWAP-BJHJDKERSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575596938 950391160 /nfs/dbraw/zinc/39/11/60/950391160.db2.gz JSWYSADXOVMWAP-BJHJDKERSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2cncc(-c3nnn[n-]3)c2)C1 ZINC001573856815 950394208 /nfs/dbraw/zinc/39/42/08/950394208.db2.gz JXYBIRQPGPHZKD-CYBMUJFWSA-N -1 3 389.416 0.514 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCc2cncc(-c3nn[n-]n3)c2)C1 ZINC001573856815 950394227 /nfs/dbraw/zinc/39/42/27/950394227.db2.gz JXYBIRQPGPHZKD-CYBMUJFWSA-N -1 3 389.416 0.514 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(c2ncncc2-c2nnn[n-]2)C[C@H]1CCO ZINC001573856801 950394424 /nfs/dbraw/zinc/39/44/24/950394424.db2.gz JIDKMWPFURDOGM-LLVKDONJSA-N -1 3 376.421 0.465 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1n[nH]c2c1CCC2 ZINC001574746284 950398470 /nfs/dbraw/zinc/39/84/70/950398470.db2.gz NFRWOUCVWUHKMW-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574747091 950400211 /nfs/dbraw/zinc/40/02/11/950400211.db2.gz QSAVBRFFNCTKJF-JTQLQIEISA-N -1 3 386.420 0.279 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574747091 950400230 /nfs/dbraw/zinc/40/02/30/950400230.db2.gz QSAVBRFFNCTKJF-JTQLQIEISA-N -1 3 386.420 0.279 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574991449 950401904 /nfs/dbraw/zinc/40/19/04/950401904.db2.gz LTRMXMWHGJSEIQ-OTYXRUKQSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574991449 950401915 /nfs/dbraw/zinc/40/19/15/950401915.db2.gz LTRMXMWHGJSEIQ-OTYXRUKQSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574747150 950404655 /nfs/dbraw/zinc/40/46/55/950404655.db2.gz RODMQDFGIGQHOY-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574747150 950404671 /nfs/dbraw/zinc/40/46/71/950404671.db2.gz RODMQDFGIGQHOY-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574503288 950404833 /nfs/dbraw/zinc/40/48/33/950404833.db2.gz UFCFIONVMAPRKJ-JTQLQIEISA-N -1 3 390.423 0.001 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574503288 950404848 /nfs/dbraw/zinc/40/48/48/950404848.db2.gz UFCFIONVMAPRKJ-JTQLQIEISA-N -1 3 390.423 0.001 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575597301 950407233 /nfs/dbraw/zinc/40/72/33/950407233.db2.gz OGWZWPHHBKWLOB-SUFBMKPHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575597301 950407251 /nfs/dbraw/zinc/40/72/51/950407251.db2.gz OGWZWPHHBKWLOB-SUFBMKPHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575597300 950409050 /nfs/dbraw/zinc/40/90/50/950409050.db2.gz OGWZWPHHBKWLOB-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575597300 950409063 /nfs/dbraw/zinc/40/90/63/950409063.db2.gz OGWZWPHHBKWLOB-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574747836 950416602 /nfs/dbraw/zinc/41/66/02/950416602.db2.gz YRNGMSRNGKCHRG-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574747836 950416611 /nfs/dbraw/zinc/41/66/11/950416611.db2.gz YRNGMSRNGKCHRG-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM CC(C)(C)OC(=O)NCCN(Cc1ccc(-c2nnn[n-]2)o1)C[C@@H](O)CO ZINC001573860383 950421304 /nfs/dbraw/zinc/42/13/04/950421304.db2.gz IJKMSUHTUQRPOM-LLVKDONJSA-N -1 3 382.421 0.140 20 0 GCADHM CC(C)(C)OC(=O)NCCN(Cc1ccc(-c2nn[n-]n2)o1)C[C@@H](O)CO ZINC001573860383 950421314 /nfs/dbraw/zinc/42/13/14/950421314.db2.gz IJKMSUHTUQRPOM-LLVKDONJSA-N -1 3 382.421 0.140 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCOC1CCOCC1 ZINC001574991849 950421604 /nfs/dbraw/zinc/42/16/04/950421604.db2.gz SOQBWJMLJATUQQ-NSHDSACASA-N -1 3 391.432 0.015 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCOC1CCOCC1 ZINC001574991849 950421620 /nfs/dbraw/zinc/42/16/20/950421620.db2.gz SOQBWJMLJATUQQ-NSHDSACASA-N -1 3 391.432 0.015 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccn2nnnc2c1 ZINC001575910701 950427830 /nfs/dbraw/zinc/42/78/30/950427830.db2.gz AWBVDIRKFSGNDA-MFKMUULPSA-N -1 3 391.399 0.415 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccn2nnnc2c1 ZINC001575910701 950427844 /nfs/dbraw/zinc/42/78/44/950427844.db2.gz AWBVDIRKFSGNDA-MFKMUULPSA-N -1 3 391.399 0.415 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1ccnc1 ZINC001575910717 950428249 /nfs/dbraw/zinc/42/82/49/950428249.db2.gz BGAANBSGSQDFBI-QWHCGFSZSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1ccnc1 ZINC001575910717 950428264 /nfs/dbraw/zinc/42/82/64/950428264.db2.gz BGAANBSGSQDFBI-QWHCGFSZSA-N -1 3 382.432 0.735 20 0 GCADHM CC(C)(C)OC(=O)NCC1(O)CCN(c2nnccc2-c2nnn[n-]2)CC1 ZINC001573860652 950428754 /nfs/dbraw/zinc/42/87/54/950428754.db2.gz KUWYRZSXCHMCEU-UHFFFAOYSA-N -1 3 376.421 0.513 20 0 GCADHM CC(C)(C)OC(=O)NCC1(O)CCN(c2nnccc2-c2nn[n-]n2)CC1 ZINC001573860652 950428763 /nfs/dbraw/zinc/42/87/63/950428763.db2.gz KUWYRZSXCHMCEU-UHFFFAOYSA-N -1 3 376.421 0.513 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575600089 950438059 /nfs/dbraw/zinc/43/80/59/950438059.db2.gz PXDTYKATWLMAAL-FZKQIMNGSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575600089 950438074 /nfs/dbraw/zinc/43/80/74/950438074.db2.gz PXDTYKATWLMAAL-FZKQIMNGSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573861311 950443778 /nfs/dbraw/zinc/44/37/78/950443778.db2.gz XYPJIRBPWSGJGI-UHFFFAOYSA-N -1 3 379.446 0.920 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573861311 950443792 /nfs/dbraw/zinc/44/37/92/950443792.db2.gz XYPJIRBPWSGJGI-UHFFFAOYSA-N -1 3 379.446 0.920 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575604540 950443701 /nfs/dbraw/zinc/44/37/01/950443701.db2.gz BOWPCQVDCWKPLC-GAMKEXDWSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575604540 950443715 /nfs/dbraw/zinc/44/37/15/950443715.db2.gz BOWPCQVDCWKPLC-GAMKEXDWSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnn1C(F)F ZINC001574992404 950444660 /nfs/dbraw/zinc/44/46/60/950444660.db2.gz BOCXGHQFKCZQGN-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnn1C(F)F ZINC001574992404 950444676 /nfs/dbraw/zinc/44/46/76/950444676.db2.gz BOCXGHQFKCZQGN-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574506820 950446849 /nfs/dbraw/zinc/44/68/49/950446849.db2.gz GLPUBOLAWSMWHL-JHJVBQTASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574506820 950446860 /nfs/dbraw/zinc/44/68/60/950446860.db2.gz GLPUBOLAWSMWHL-JHJVBQTASA-N -1 3 382.432 0.811 20 0 GCADHM CC(C)CC1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574165298 950446926 /nfs/dbraw/zinc/44/69/26/950446926.db2.gz COXYBLORHDFABR-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)CC1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574165298 950446936 /nfs/dbraw/zinc/44/69/36/950446936.db2.gz COXYBLORHDFABR-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574506819 950446923 /nfs/dbraw/zinc/44/69/23/950446923.db2.gz GLPUBOLAWSMWHL-AVGNSLFASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574506819 950446933 /nfs/dbraw/zinc/44/69/33/950446933.db2.gz GLPUBOLAWSMWHL-AVGNSLFASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574506839 950447324 /nfs/dbraw/zinc/44/73/24/950447324.db2.gz GVHPBISMCCXRLB-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574506839 950447333 /nfs/dbraw/zinc/44/73/33/950447333.db2.gz GVHPBISMCCXRLB-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C[C@@H]2O)CCOC1 ZINC001575604962 950447849 /nfs/dbraw/zinc/44/78/49/950447849.db2.gz IAODFZHPQIDRSN-RVKKMQEKSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C[C@@H]2O)CCOC1 ZINC001575604962 950447859 /nfs/dbraw/zinc/44/78/59/950447859.db2.gz IAODFZHPQIDRSN-RVKKMQEKSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)c1cncnc1 ZINC001574751000 950448217 /nfs/dbraw/zinc/44/82/17/950448217.db2.gz KBUSCNRZXLVLON-GHMZBOCLSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)c1cncnc1 ZINC001574751000 950448229 /nfs/dbraw/zinc/44/82/29/950448229.db2.gz KBUSCNRZXLVLON-GHMZBOCLSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@H]2O)CCOC1 ZINC001575604930 950448939 /nfs/dbraw/zinc/44/89/39/950448939.db2.gz FWOMTZPKCGNIDS-IIDMSEBBSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C[C@H]2O)CCOC1 ZINC001575604930 950448958 /nfs/dbraw/zinc/44/89/58/950448958.db2.gz FWOMTZPKCGNIDS-IIDMSEBBSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574992459 950449461 /nfs/dbraw/zinc/44/94/61/950449461.db2.gz CUPJQIBYJSTLEM-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574992459 950449481 /nfs/dbraw/zinc/44/94/81/950449481.db2.gz CUPJQIBYJSTLEM-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)CCCCC1 ZINC001575604956 950449678 /nfs/dbraw/zinc/44/96/78/950449678.db2.gz HPZPDDAJXDHBDS-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)CCCCC1 ZINC001575604956 950449693 /nfs/dbraw/zinc/44/96/93/950449693.db2.gz HPZPDDAJXDHBDS-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(Cl)cn1C ZINC001574992457 950451927 /nfs/dbraw/zinc/45/19/27/950451927.db2.gz CUKJCXGKPFBJRB-MRVPVSSYSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(Cl)cn1C ZINC001574992457 950451940 /nfs/dbraw/zinc/45/19/40/950451940.db2.gz CUKJCXGKPFBJRB-MRVPVSSYSA-N -1 3 376.808 0.735 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574165541 950452132 /nfs/dbraw/zinc/45/21/32/950452132.db2.gz GSHVNLJEOLWDRS-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574165541 950452144 /nfs/dbraw/zinc/45/21/44/950452144.db2.gz GSHVNLJEOLWDRS-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573861627 950452556 /nfs/dbraw/zinc/45/25/56/950452556.db2.gz FGASHSLONWBHJZ-TXEJJXNPSA-N -1 3 388.432 0.846 20 0 GCADHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573861627 950452564 /nfs/dbraw/zinc/45/25/64/950452564.db2.gz FGASHSLONWBHJZ-TXEJJXNPSA-N -1 3 388.432 0.846 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCCOC1 ZINC001574751192 950452731 /nfs/dbraw/zinc/45/27/31/950452731.db2.gz LBONPEAUAAGLGA-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCCOC1 ZINC001574751192 950452744 /nfs/dbraw/zinc/45/27/44/950452744.db2.gz LBONPEAUAAGLGA-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccncc1Cl ZINC001574992659 950454077 /nfs/dbraw/zinc/45/40/77/950454077.db2.gz GSDYPYHIMADLSK-SECBINFHSA-N -1 3 388.819 0.720 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccncc1Cl ZINC001574992659 950454093 /nfs/dbraw/zinc/45/40/93/950454093.db2.gz GSDYPYHIMADLSK-SECBINFHSA-N -1 3 388.819 0.720 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)CC(F)(F)C1 ZINC001575605012 950455041 /nfs/dbraw/zinc/45/50/41/950455041.db2.gz KHOCUPJQXAUBMX-NEPJUHHUSA-N -1 3 379.371 0.363 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)CC(F)(F)C1 ZINC001575605012 950455059 /nfs/dbraw/zinc/45/50/59/950455059.db2.gz KHOCUPJQXAUBMX-NEPJUHHUSA-N -1 3 379.371 0.363 20 0 GCADHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H](C)n1cccn1 ZINC001574507450 950455548 /nfs/dbraw/zinc/45/55/48/950455548.db2.gz JDYCZXTUYKLJKH-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H](C)n1cccn1 ZINC001574507450 950455567 /nfs/dbraw/zinc/45/55/67/950455567.db2.gz JDYCZXTUYKLJKH-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574751395 950455660 /nfs/dbraw/zinc/45/56/60/950455660.db2.gz MYUQQSMYPZFGIO-OLZOCXBDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574751395 950455674 /nfs/dbraw/zinc/45/56/74/950455674.db2.gz MYUQQSMYPZFGIO-OLZOCXBDSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574993071 950457579 /nfs/dbraw/zinc/45/75/79/950457579.db2.gz IPNIIAMWILNTQL-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574993071 950457597 /nfs/dbraw/zinc/45/75/97/950457597.db2.gz IPNIIAMWILNTQL-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccccn1 ZINC001574751398 950458210 /nfs/dbraw/zinc/45/82/10/950458210.db2.gz MZLJGNXYDZMYCR-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccccn1 ZINC001574751398 950458220 /nfs/dbraw/zinc/45/82/20/950458220.db2.gz MZLJGNXYDZMYCR-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C1CC1 ZINC001574507671 950460688 /nfs/dbraw/zinc/46/06/88/950460688.db2.gz HCDRWQFFUVIILP-CQSZACIVSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@H](CC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C1CC1 ZINC001574507671 950460700 /nfs/dbraw/zinc/46/07/00/950460700.db2.gz HCDRWQFFUVIILP-CQSZACIVSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575912182 950461554 /nfs/dbraw/zinc/46/15/54/950461554.db2.gz QFMMSNZGQOESOY-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575912182 950461566 /nfs/dbraw/zinc/46/15/66/950461566.db2.gz QFMMSNZGQOESOY-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574166361 950463785 /nfs/dbraw/zinc/46/37/85/950463785.db2.gz PLAWFLFDLRXTPL-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574166361 950463802 /nfs/dbraw/zinc/46/38/02/950463802.db2.gz PLAWFLFDLRXTPL-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C[C@H]2O)CCOC1 ZINC001575605402 950464349 /nfs/dbraw/zinc/46/43/49/950464349.db2.gz NJMYDZXCZUZHBM-IIDMSEBBSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCC1CCOCC1 ZINC001574751662 950464896 /nfs/dbraw/zinc/46/48/96/950464896.db2.gz QAQUJNHHUUCWIQ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCC1CCOCC1 ZINC001574751662 950464911 /nfs/dbraw/zinc/46/49/11/950464911.db2.gz QAQUJNHHUUCWIQ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574166593 950468311 /nfs/dbraw/zinc/46/83/11/950468311.db2.gz TUVVDMDKNCQYBF-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574166593 950468327 /nfs/dbraw/zinc/46/83/27/950468327.db2.gz TUVVDMDKNCQYBF-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912721 950470500 /nfs/dbraw/zinc/47/05/00/950470500.db2.gz IEFQQIJETRIGBZ-SKDRFNHKSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912721 950470507 /nfs/dbraw/zinc/47/05/07/950470507.db2.gz IEFQQIJETRIGBZ-SKDRFNHKSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574994170 950472623 /nfs/dbraw/zinc/47/26/23/950472623.db2.gz OKAQELSGLVOYMI-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574994170 950472638 /nfs/dbraw/zinc/47/26/38/950472638.db2.gz OKAQELSGLVOYMI-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H]1[C@@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575913007 950473559 /nfs/dbraw/zinc/47/35/59/950473559.db2.gz SMZPWPZQTPIOOD-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575913007 950473578 /nfs/dbraw/zinc/47/35/78/950473578.db2.gz SMZPWPZQTPIOOD-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)CCCCC1 ZINC001575605684 950478038 /nfs/dbraw/zinc/47/80/38/950478038.db2.gz TXUGKVKNERPGQL-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)CCCCC1 ZINC001575605684 950478056 /nfs/dbraw/zinc/47/80/56/950478056.db2.gz TXUGKVKNERPGQL-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001573863520 950479787 /nfs/dbraw/zinc/47/97/87/950479787.db2.gz KRWVULBILHWOGH-JGZJWPJOSA-N -1 3 380.430 0.660 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001573863520 950479796 /nfs/dbraw/zinc/47/97/96/950479796.db2.gz KRWVULBILHWOGH-JGZJWPJOSA-N -1 3 380.430 0.660 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574994476 950480078 /nfs/dbraw/zinc/48/00/78/950480078.db2.gz RVKBAHMTHMSWEY-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574994476 950480092 /nfs/dbraw/zinc/48/00/92/950480092.db2.gz RVKBAHMTHMSWEY-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574994418 950480165 /nfs/dbraw/zinc/48/01/65/950480165.db2.gz QKLUCPFYDYXUQI-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574994418 950480176 /nfs/dbraw/zinc/48/01/76/950480176.db2.gz QKLUCPFYDYXUQI-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574994505 950484881 /nfs/dbraw/zinc/48/48/81/950484881.db2.gz SCFSRWXUYIEMRE-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574994505 950484892 /nfs/dbraw/zinc/48/48/92/950484892.db2.gz SCFSRWXUYIEMRE-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM CC(C)(C)OCC(=O)N(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573863680 950485316 /nfs/dbraw/zinc/48/53/16/950485316.db2.gz OCWWVARXKBPZDB-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573863680 950485328 /nfs/dbraw/zinc/48/53/28/950485328.db2.gz OCWWVARXKBPZDB-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1nccnc1-c1nn[n-]n1 ZINC001574752536 950485312 /nfs/dbraw/zinc/48/53/12/950485312.db2.gz XSWSDQVZARXQQO-SNVBAGLBSA-N -1 3 386.420 0.279 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574752432 950487456 /nfs/dbraw/zinc/48/74/56/950487456.db2.gz WPTZWBLEJQLGMU-RYUDHWBXSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574752432 950487486 /nfs/dbraw/zinc/48/74/86/950487486.db2.gz WPTZWBLEJQLGMU-RYUDHWBXSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOC1 ZINC001575605952 950489525 /nfs/dbraw/zinc/48/95/25/950489525.db2.gz XNLIISXPNDDTIH-SEDUGSJDSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOC1 ZINC001575605952 950489536 /nfs/dbraw/zinc/48/95/36/950489536.db2.gz XNLIISXPNDDTIH-SEDUGSJDSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574508947 950491114 /nfs/dbraw/zinc/49/11/14/950491114.db2.gz RDRBIDGMRUXROI-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574508947 950491123 /nfs/dbraw/zinc/49/11/23/950491123.db2.gz RDRBIDGMRUXROI-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575913900 950491436 /nfs/dbraw/zinc/49/14/36/950491436.db2.gz KEAYCDGALCLCLI-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575913900 950491450 /nfs/dbraw/zinc/49/14/50/950491450.db2.gz KEAYCDGALCLCLI-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575914523 950496087 /nfs/dbraw/zinc/49/60/87/950496087.db2.gz LHJWSACALFWBFM-FZMZJTMJSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575914523 950496108 /nfs/dbraw/zinc/49/61/08/950496108.db2.gz LHJWSACALFWBFM-FZMZJTMJSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nc(CC2CC2)no1 ZINC001574752878 950498208 /nfs/dbraw/zinc/49/82/08/950498208.db2.gz BRRWZTYVZALVDM-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nc(CC2CC2)no1 ZINC001574752878 950498218 /nfs/dbraw/zinc/49/82/18/950498218.db2.gz BRRWZTYVZALVDM-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]n1 ZINC001574752868 950499497 /nfs/dbraw/zinc/49/94/97/950499497.db2.gz BLNRRBIKQJFGAG-SNVBAGLBSA-N -1 3 385.432 0.932 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]n1 ZINC001574752868 950499511 /nfs/dbraw/zinc/49/95/11/950499511.db2.gz BLNRRBIKQJFGAG-SNVBAGLBSA-N -1 3 385.432 0.932 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574995267 950502367 /nfs/dbraw/zinc/50/23/67/950502367.db2.gz CWGFDNHMAOXXNE-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574995267 950502389 /nfs/dbraw/zinc/50/23/89/950502389.db2.gz CWGFDNHMAOXXNE-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CC(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574509308 950506030 /nfs/dbraw/zinc/50/60/30/950506030.db2.gz QCHSMWQEOYOTIX-SNVBAGLBSA-N -1 3 378.412 0.001 20 0 GCADHM C[C@H](CC(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574509308 950506048 /nfs/dbraw/zinc/50/60/48/950506048.db2.gz QCHSMWQEOYOTIX-SNVBAGLBSA-N -1 3 378.412 0.001 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccc(N(C)C)c1 ZINC001574995378 950506061 /nfs/dbraw/zinc/50/60/61/950506061.db2.gz ZFYYUZAXYIKYIN-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccc(N(C)C)c1 ZINC001574995378 950506078 /nfs/dbraw/zinc/50/60/78/950506078.db2.gz ZFYYUZAXYIKYIN-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574753233 950513679 /nfs/dbraw/zinc/51/36/79/950513679.db2.gz JXHPQXLCIXUQBS-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574753233 950513697 /nfs/dbraw/zinc/51/36/97/950513697.db2.gz JXHPQXLCIXUQBS-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cncs1 ZINC001574753173 950514876 /nfs/dbraw/zinc/51/48/76/950514876.db2.gz DAWVMRXEEAMAQA-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cncs1 ZINC001574753173 950514890 /nfs/dbraw/zinc/51/48/90/950514890.db2.gz DAWVMRXEEAMAQA-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC1CCN(CC(=O)NC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C2CC2)CC1 ZINC001576205395 950515987 /nfs/dbraw/zinc/51/59/87/950515987.db2.gz IKGROBBHCXETHN-CQSZACIVSA-N -1 3 385.476 0.117 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573866773 950516408 /nfs/dbraw/zinc/51/64/08/950516408.db2.gz MFJMPKBPRSBBMF-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573866773 950516432 /nfs/dbraw/zinc/51/64/32/950516432.db2.gz MFJMPKBPRSBBMF-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC1CCN(CC(=O)N[C@H]2CCCN(c3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576205536 950522723 /nfs/dbraw/zinc/52/27/23/950522723.db2.gz ZTTVSNIVVKLANW-AWEZNQCLSA-N -1 3 385.476 0.474 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573867294 950526339 /nfs/dbraw/zinc/52/63/39/950526339.db2.gz UKKJCBIGGMITBW-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573867294 950526354 /nfs/dbraw/zinc/52/63/54/950526354.db2.gz UKKJCBIGGMITBW-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM CC1(C(N)=O)CN(C(=O)c2cccc(CNc3ncccc3-c3nnn[n-]3)c2)C1 ZINC001575614381 950527615 /nfs/dbraw/zinc/52/76/15/950527615.db2.gz ACZFQUMTKAISAL-UHFFFAOYSA-N -1 3 392.423 0.821 20 0 GCADHM CC1(C(N)=O)CN(C(=O)c2cccc(CNc3ncccc3-c3nn[n-]n3)c2)C1 ZINC001575614381 950527637 /nfs/dbraw/zinc/52/76/37/950527637.db2.gz ACZFQUMTKAISAL-UHFFFAOYSA-N -1 3 392.423 0.821 20 0 GCADHM CC(C)CCC(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574170027 950529641 /nfs/dbraw/zinc/52/96/41/950529641.db2.gz DEGOLJVONGAPAG-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574170027 950529656 /nfs/dbraw/zinc/52/96/56/950529656.db2.gz DEGOLJVONGAPAG-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574753675 950534396 /nfs/dbraw/zinc/53/43/96/950534396.db2.gz GWXFCQVINXIRTE-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574753675 950534414 /nfs/dbraw/zinc/53/44/14/950534414.db2.gz GWXFCQVINXIRTE-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H]1[C@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916395 950536408 /nfs/dbraw/zinc/53/64/08/950536408.db2.gz ZCBAERHWPGPICJ-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916395 950536427 /nfs/dbraw/zinc/53/64/27/950536427.db2.gz ZCBAERHWPGPICJ-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575916746 950544613 /nfs/dbraw/zinc/54/46/13/950544613.db2.gz RHWHDSQKBWODRB-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575916746 950544634 /nfs/dbraw/zinc/54/46/34/950544634.db2.gz RHWHDSQKBWODRB-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573868615 950545974 /nfs/dbraw/zinc/54/59/74/950545974.db2.gz FILAIXUUPJTVNY-TZMCWYRMSA-N -1 3 392.435 0.877 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573868615 950546002 /nfs/dbraw/zinc/54/60/02/950546002.db2.gz FILAIXUUPJTVNY-TZMCWYRMSA-N -1 3 392.435 0.877 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575916748 950546562 /nfs/dbraw/zinc/54/65/62/950546562.db2.gz RHWHDSQKBWODRB-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575916748 950546591 /nfs/dbraw/zinc/54/65/91/950546591.db2.gz RHWHDSQKBWODRB-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573868611 950547128 /nfs/dbraw/zinc/54/71/28/950547128.db2.gz FILAIXUUPJTVNY-JSGCOSHPSA-N -1 3 392.435 0.877 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573868611 950547142 /nfs/dbraw/zinc/54/71/42/950547142.db2.gz FILAIXUUPJTVNY-JSGCOSHPSA-N -1 3 392.435 0.877 20 0 GCADHM CC(C)(C)OCC(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573868674 950547498 /nfs/dbraw/zinc/54/74/98/950547498.db2.gz FTVNBYUQPJPZOQ-UHFFFAOYSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573868674 950547509 /nfs/dbraw/zinc/54/75/09/950547509.db2.gz FTVNBYUQPJPZOQ-UHFFFAOYSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)c1ccco1 ZINC001574511091 950550486 /nfs/dbraw/zinc/55/04/86/950550486.db2.gz FWQZEVLCSJXDKZ-ZLKJLUDKSA-N -1 3 399.411 0.283 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)c1ccco1 ZINC001574511091 950550500 /nfs/dbraw/zinc/55/05/00/950550500.db2.gz FWQZEVLCSJXDKZ-ZLKJLUDKSA-N -1 3 399.411 0.283 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573868892 950551515 /nfs/dbraw/zinc/55/15/15/950551515.db2.gz HQLXLRQJFSLANI-UHFFFAOYSA-N -1 3 389.460 0.524 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573868892 950551530 /nfs/dbraw/zinc/55/15/30/950551530.db2.gz HQLXLRQJFSLANI-UHFFFAOYSA-N -1 3 389.460 0.524 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)CCCOC1 ZINC001575614799 950552588 /nfs/dbraw/zinc/55/25/88/950552588.db2.gz QDTXGOODIZFRCB-YSYLPMMESA-N -1 3 385.428 0.198 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)CCCOC1 ZINC001575614799 950552597 /nfs/dbraw/zinc/55/25/97/950552597.db2.gz QDTXGOODIZFRCB-YSYLPMMESA-N -1 3 385.428 0.198 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn2c1CCC2 ZINC001574753982 950554618 /nfs/dbraw/zinc/55/46/18/950554618.db2.gz JBUFSWHRMNBONH-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn2c1CCC2 ZINC001574753982 950554638 /nfs/dbraw/zinc/55/46/38/950554638.db2.gz JBUFSWHRMNBONH-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575614838 950554974 /nfs/dbraw/zinc/55/49/74/950554974.db2.gz RNPPLRVSCIYFIR-IPYPFGDCSA-N -1 3 399.455 0.873 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575614838 950554992 /nfs/dbraw/zinc/55/49/92/950554992.db2.gz RNPPLRVSCIYFIR-IPYPFGDCSA-N -1 3 399.455 0.873 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574753987 950555216 /nfs/dbraw/zinc/55/52/16/950555216.db2.gz JFYVNKSOKLZQHK-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574753987 950555236 /nfs/dbraw/zinc/55/52/36/950555236.db2.gz JFYVNKSOKLZQHK-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM CC(C)CCC(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574171419 950555308 /nfs/dbraw/zinc/55/53/08/950555308.db2.gz PSZBIQHIGDTNCO-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574171419 950555322 /nfs/dbraw/zinc/55/53/22/950555322.db2.gz PSZBIQHIGDTNCO-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574753986 950555642 /nfs/dbraw/zinc/55/56/42/950555642.db2.gz JFYVNKSOKLZQHK-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574753986 950555655 /nfs/dbraw/zinc/55/56/55/950555655.db2.gz JFYVNKSOKLZQHK-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001574998820 950559216 /nfs/dbraw/zinc/55/92/16/950559216.db2.gz AWHXJQRJSCPLKK-SECBINFHSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001574998820 950559243 /nfs/dbraw/zinc/55/92/43/950559243.db2.gz AWHXJQRJSCPLKK-SECBINFHSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574998834 950559677 /nfs/dbraw/zinc/55/96/77/950559677.db2.gz BELIUMCEQALKSE-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574998834 950559695 /nfs/dbraw/zinc/55/96/95/950559695.db2.gz BELIUMCEQALKSE-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1ccco1 ZINC001574511378 950560526 /nfs/dbraw/zinc/56/05/26/950560526.db2.gz JFPFIUCWZJMFSV-IACUBPJLSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1ccco1 ZINC001574511378 950560538 /nfs/dbraw/zinc/56/05/38/950560538.db2.gz JFPFIUCWZJMFSV-IACUBPJLSA-N -1 3 383.412 0.714 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574171707 950564465 /nfs/dbraw/zinc/56/44/65/950564465.db2.gz TZZURHNDWOGANI-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574171707 950564482 /nfs/dbraw/zinc/56/44/82/950564482.db2.gz TZZURHNDWOGANI-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573869533 950565630 /nfs/dbraw/zinc/56/56/30/950565630.db2.gz PZGTUEMFSLLERC-ZDUSSCGKSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573869533 950565641 /nfs/dbraw/zinc/56/56/41/950565641.db2.gz PZGTUEMFSLLERC-ZDUSSCGKSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C1 ZINC001573869409 950566924 /nfs/dbraw/zinc/56/69/24/950566924.db2.gz PGBIJCOKQZXFFP-BETUJISGSA-N -1 3 387.444 0.540 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C1 ZINC001573869409 950566945 /nfs/dbraw/zinc/56/69/45/950566945.db2.gz PGBIJCOKQZXFFP-BETUJISGSA-N -1 3 387.444 0.540 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574999040 950567876 /nfs/dbraw/zinc/56/78/76/950567876.db2.gz DSENPBZZJUABQW-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574999040 950567883 /nfs/dbraw/zinc/56/78/83/950567883.db2.gz DSENPBZZJUABQW-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573869602 950570190 /nfs/dbraw/zinc/57/01/90/950570190.db2.gz ADOSTFKBJPDWIA-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573869602 950570208 /nfs/dbraw/zinc/57/02/08/950570208.db2.gz ADOSTFKBJPDWIA-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917454 950574272 /nfs/dbraw/zinc/57/42/72/950574272.db2.gz YCJPMOVBTSFZER-DGCLKSJQSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917454 950574285 /nfs/dbraw/zinc/57/42/85/950574285.db2.gz YCJPMOVBTSFZER-DGCLKSJQSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)n1cccc1 ZINC001574511920 950575441 /nfs/dbraw/zinc/57/54/41/950575441.db2.gz WFDRLEAWMCBMKU-MAZHCROVSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)n1cccc1 ZINC001574511920 950575456 /nfs/dbraw/zinc/57/54/56/950575456.db2.gz WFDRLEAWMCBMKU-MAZHCROVSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575917481 950575320 /nfs/dbraw/zinc/57/53/20/950575320.db2.gz YHNALERCLTWFHY-GXSJLCMTSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575917481 950575344 /nfs/dbraw/zinc/57/53/44/950575344.db2.gz YHNALERCLTWFHY-GXSJLCMTSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)n1cccc1 ZINC001574511781 950575887 /nfs/dbraw/zinc/57/58/87/950575887.db2.gz UBPZDSUVNLXLBT-YUELXQCFSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)n1cccc1 ZINC001574511781 950575903 /nfs/dbraw/zinc/57/59/03/950575903.db2.gz UBPZDSUVNLXLBT-YUELXQCFSA-N -1 3 382.428 0.380 20 0 GCADHM CC1CCN(CC(=O)NC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CC1 ZINC001576206648 950577451 /nfs/dbraw/zinc/57/74/51/950577451.db2.gz YOKKMZWBEDQREB-CQSZACIVSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCC(C)CC2)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001576207036 950590465 /nfs/dbraw/zinc/59/04/65/950590465.db2.gz BRHPXSRDOVTPEC-KGLIPLIRSA-N -1 3 385.476 0.472 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574173411 950591989 /nfs/dbraw/zinc/59/19/89/950591989.db2.gz IKALPXATQBZLSM-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574173411 950592007 /nfs/dbraw/zinc/59/20/07/950592007.db2.gz IKALPXATQBZLSM-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574173163 950592056 /nfs/dbraw/zinc/59/20/56/950592056.db2.gz GRHWGWHWFJNQLK-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574173163 950592073 /nfs/dbraw/zinc/59/20/73/950592073.db2.gz GRHWGWHWFJNQLK-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574173410 950592387 /nfs/dbraw/zinc/59/23/87/950592387.db2.gz IKALPXATQBZLSM-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574173410 950592407 /nfs/dbraw/zinc/59/24/07/950592407.db2.gz IKALPXATQBZLSM-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573870541 950596702 /nfs/dbraw/zinc/59/67/02/950596702.db2.gz HUYLQLLTTKMPOQ-CYBMUJFWSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573870541 950596718 /nfs/dbraw/zinc/59/67/18/950596718.db2.gz HUYLQLLTTKMPOQ-CYBMUJFWSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573870548 950596785 /nfs/dbraw/zinc/59/67/85/950596785.db2.gz ICURNJBTTWRXJQ-OAHLLOKOSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573870548 950596795 /nfs/dbraw/zinc/59/67/95/950596795.db2.gz ICURNJBTTWRXJQ-OAHLLOKOSA-N -1 3 388.472 0.999 20 0 GCADHM CC1(C)C(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1(C)C ZINC001575617367 950599391 /nfs/dbraw/zinc/59/93/91/950599391.db2.gz BGFRMBFKQPEPFW-UHFFFAOYSA-N -1 3 387.444 0.180 20 0 GCADHM CC1(C)C(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1(C)C ZINC001575617367 950599411 /nfs/dbraw/zinc/59/94/11/950599411.db2.gz BGFRMBFKQPEPFW-UHFFFAOYSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nc(C(F)F)no1 ZINC001574756379 950603052 /nfs/dbraw/zinc/60/30/52/950603052.db2.gz ZNXMSFFWVNGMBI-SSDOTTSWSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nc(C(F)F)no1 ZINC001574756379 950603062 /nfs/dbraw/zinc/60/30/62/950603062.db2.gz ZNXMSFFWVNGMBI-SSDOTTSWSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CN1CCOCC1 ZINC001575919046 950606251 /nfs/dbraw/zinc/60/62/51/950606251.db2.gz FPHAVTKTORQIST-OCCSQVGLSA-N -1 3 389.435 0.739 20 0 GCADHM C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CN1CCOCC1 ZINC001575919046 950606259 /nfs/dbraw/zinc/60/62/59/950606259.db2.gz FPHAVTKTORQIST-OCCSQVGLSA-N -1 3 389.435 0.739 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573871023 950609216 /nfs/dbraw/zinc/60/92/16/950609216.db2.gz LVLCYQXLQGNKAR-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573871023 950609225 /nfs/dbraw/zinc/60/92/25/950609225.db2.gz LVLCYQXLQGNKAR-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573870990 950609313 /nfs/dbraw/zinc/60/93/13/950609313.db2.gz LNGRPWWRWZTEOT-CYBMUJFWSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573870990 950609328 /nfs/dbraw/zinc/60/93/28/950609328.db2.gz LNGRPWWRWZTEOT-CYBMUJFWSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573870992 950609818 /nfs/dbraw/zinc/60/98/18/950609818.db2.gz LNGRPWWRWZTEOT-ZDUSSCGKSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573870992 950609839 /nfs/dbraw/zinc/60/98/39/950609839.db2.gz LNGRPWWRWZTEOT-ZDUSSCGKSA-N -1 3 375.433 0.398 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1(C)C ZINC001575618624 950611944 /nfs/dbraw/zinc/61/19/44/950611944.db2.gz LSBFXGFYMZVYCN-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1(C)C ZINC001575618624 950611955 /nfs/dbraw/zinc/61/19/55/950611955.db2.gz LSBFXGFYMZVYCN-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573871324 950616259 /nfs/dbraw/zinc/61/62/59/950616259.db2.gz NXMSIONGTBRZBL-INIZCTEOSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573871324 950616275 /nfs/dbraw/zinc/61/62/75/950616275.db2.gz NXMSIONGTBRZBL-INIZCTEOSA-N -1 3 388.472 0.999 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000848 950616644 /nfs/dbraw/zinc/61/66/44/950616644.db2.gz GVINRCUFTFFGEF-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000848 950616657 /nfs/dbraw/zinc/61/66/57/950616657.db2.gz GVINRCUFTFFGEF-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H]1[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CCn1cnnn1 ZINC001575919649 950620434 /nfs/dbraw/zinc/62/04/34/950620434.db2.gz JLRHDQQIEQIQGV-JQWIXIFHSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@H]1[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CCn1cnnn1 ZINC001575919649 950620445 /nfs/dbraw/zinc/62/04/45/950620445.db2.gz JLRHDQQIEQIQGV-JQWIXIFHSA-N -1 3 386.395 0.484 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)C1(C)C ZINC001575619730 950621265 /nfs/dbraw/zinc/62/12/65/950621265.db2.gz PCNAWBZTWCDHPC-SNVBAGLBSA-N -1 3 377.424 0.972 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)C1(C)C ZINC001575619730 950621283 /nfs/dbraw/zinc/62/12/83/950621283.db2.gz PCNAWBZTWCDHPC-SNVBAGLBSA-N -1 3 377.424 0.972 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574515149 950622255 /nfs/dbraw/zinc/62/22/55/950622255.db2.gz AMYLGHYKHLZGIX-RTXFEEFZSA-N -1 3 383.416 0.420 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573871619 950622025 /nfs/dbraw/zinc/62/20/25/950622025.db2.gz TZCBKLDAUYSRGU-ZDUSSCGKSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573871619 950622041 /nfs/dbraw/zinc/62/20/41/950622041.db2.gz TZCBKLDAUYSRGU-ZDUSSCGKSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573871734 950622804 /nfs/dbraw/zinc/62/28/04/950622804.db2.gz UXNMOLDQTMENEO-UHFFFAOYSA-N -1 3 392.435 0.484 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573871734 950622820 /nfs/dbraw/zinc/62/28/20/950622820.db2.gz UXNMOLDQTMENEO-UHFFFAOYSA-N -1 3 392.435 0.484 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCC(C)CC2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001576209224 950627704 /nfs/dbraw/zinc/62/77/04/950627704.db2.gz ZEMSVCPHNPWFOO-KGLIPLIRSA-N -1 3 385.476 0.472 20 0 GCADHM CC(C)(C)OCC(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573872119 950632108 /nfs/dbraw/zinc/63/21/08/950632108.db2.gz ZOHBOELOIZIAID-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573872119 950632120 /nfs/dbraw/zinc/63/21/20/950632120.db2.gz ZOHBOELOIZIAID-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1(C)C ZINC001575620402 950632290 /nfs/dbraw/zinc/63/22/90/950632290.db2.gz XKXPKNFVDVHABH-SECBINFHSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1(C)C ZINC001575620402 950632305 /nfs/dbraw/zinc/63/23/05/950632305.db2.gz XKXPKNFVDVHABH-SECBINFHSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1(C)C ZINC001575620319 950632660 /nfs/dbraw/zinc/63/26/60/950632660.db2.gz WCZQJDDEKLCLBO-SECBINFHSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1(C)C ZINC001575620319 950632677 /nfs/dbraw/zinc/63/26/77/950632677.db2.gz WCZQJDDEKLCLBO-SECBINFHSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574759322 950634174 /nfs/dbraw/zinc/63/41/74/950634174.db2.gz NCCGBNIUQKAGJT-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574759322 950634178 /nfs/dbraw/zinc/63/41/78/950634178.db2.gz NCCGBNIUQKAGJT-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc2ncnn21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574759311 950634347 /nfs/dbraw/zinc/63/43/47/950634347.db2.gz MVQOMKXAAUHUFL-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc2ncnn21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574759311 950634357 /nfs/dbraw/zinc/63/43/57/950634357.db2.gz MVQOMKXAAUHUFL-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575001541 950635330 /nfs/dbraw/zinc/63/53/30/950635330.db2.gz MUWDCKCPHMAUCU-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575001541 950635341 /nfs/dbraw/zinc/63/53/41/950635341.db2.gz MUWDCKCPHMAUCU-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574174555 950638691 /nfs/dbraw/zinc/63/86/91/950638691.db2.gz SVZDLKYNLIFXHQ-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574174555 950638707 /nfs/dbraw/zinc/63/87/07/950638707.db2.gz SVZDLKYNLIFXHQ-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575001600 950638889 /nfs/dbraw/zinc/63/88/89/950638889.db2.gz WNMBRFCMFZFZOD-LURJTMIESA-N -1 3 379.331 0.404 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575001600 950638909 /nfs/dbraw/zinc/63/89/09/950638909.db2.gz WNMBRFCMFZFZOD-LURJTMIESA-N -1 3 379.331 0.404 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)n1ccnc1 ZINC001574516967 950640027 /nfs/dbraw/zinc/64/00/27/950640027.db2.gz JGKNDHPHBQNPKW-CVGURMSBSA-N -1 3 379.428 0.660 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)n1ccnc1 ZINC001574516967 950640038 /nfs/dbraw/zinc/64/00/38/950640038.db2.gz JGKNDHPHBQNPKW-CVGURMSBSA-N -1 3 379.428 0.660 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573873287 950640575 /nfs/dbraw/zinc/64/05/75/950640575.db2.gz GWJDLFXRMSMRPQ-BZPMIXESSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573873287 950640588 /nfs/dbraw/zinc/64/05/88/950640588.db2.gz GWJDLFXRMSMRPQ-BZPMIXESSA-N -1 3 387.444 0.872 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575001669 950642207 /nfs/dbraw/zinc/64/22/07/950642207.db2.gz XQQLCSLFFYKUKO-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575001669 950642221 /nfs/dbraw/zinc/64/22/21/950642221.db2.gz XQQLCSLFFYKUKO-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574759584 950643252 /nfs/dbraw/zinc/64/32/52/950643252.db2.gz PBIYUFVJBMOWNI-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574759584 950643267 /nfs/dbraw/zinc/64/32/67/950643267.db2.gz PBIYUFVJBMOWNI-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574517696 950645254 /nfs/dbraw/zinc/64/52/54/950645254.db2.gz LMEWFQKYIRFSDW-GZCFXPHUSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574517696 950645273 /nfs/dbraw/zinc/64/52/73/950645273.db2.gz LMEWFQKYIRFSDW-GZCFXPHUSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574517784 950646895 /nfs/dbraw/zinc/64/68/95/950646895.db2.gz MCKLBBSPQWXODC-RTXFEEFZSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574517784 950646907 /nfs/dbraw/zinc/64/69/07/950646907.db2.gz MCKLBBSPQWXODC-RTXFEEFZSA-N -1 3 383.416 0.420 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1O ZINC001573873545 950648611 /nfs/dbraw/zinc/64/86/11/950648611.db2.gz PZEBVFUNPVECLA-VXGBXAGGSA-N -1 3 395.851 0.396 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1O ZINC001573873545 950648620 /nfs/dbraw/zinc/64/86/20/950648620.db2.gz PZEBVFUNPVECLA-VXGBXAGGSA-N -1 3 395.851 0.396 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574175092 950653318 /nfs/dbraw/zinc/65/33/18/950653318.db2.gz MORRURSXIYPBHG-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574175092 950653328 /nfs/dbraw/zinc/65/33/28/950653328.db2.gz MORRURSXIYPBHG-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574518701 950656673 /nfs/dbraw/zinc/65/66/73/950656673.db2.gz PWDVMXLONKGOSK-RTXFEEFZSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574518701 950656688 /nfs/dbraw/zinc/65/66/88/950656688.db2.gz PWDVMXLONKGOSK-RTXFEEFZSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575002307 950659652 /nfs/dbraw/zinc/65/96/52/950659652.db2.gz RRGMUBJMEOZYIG-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575002307 950659675 /nfs/dbraw/zinc/65/96/75/950659675.db2.gz RRGMUBJMEOZYIG-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574519012 950664500 /nfs/dbraw/zinc/66/45/00/950664500.db2.gz SGEJVQPBJJMRMH-MUYACECFSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574519012 950664511 /nfs/dbraw/zinc/66/45/11/950664511.db2.gz SGEJVQPBJJMRMH-MUYACECFSA-N -1 3 387.444 0.777 20 0 GCADHM CC1(C)CC(C(=O)N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575624176 950667482 /nfs/dbraw/zinc/66/74/82/950667482.db2.gz HEOUURFYXDYJME-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575624176 950667501 /nfs/dbraw/zinc/66/75/01/950667501.db2.gz HEOUURFYXDYJME-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001574519126 950667919 /nfs/dbraw/zinc/66/79/19/950667919.db2.gz BJKMHUYOKCJXEF-HONMWMINSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001574519126 950667940 /nfs/dbraw/zinc/66/79/40/950667940.db2.gz BJKMHUYOKCJXEF-HONMWMINSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573876278 950668142 /nfs/dbraw/zinc/66/81/42/950668142.db2.gz JDQWEKNLRAPVTL-VXGBXAGGSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573876278 950668156 /nfs/dbraw/zinc/66/81/56/950668156.db2.gz JDQWEKNLRAPVTL-VXGBXAGGSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574519136 950668980 /nfs/dbraw/zinc/66/89/80/950668980.db2.gz BOMBRBREVIWJQH-ZYHUDNBSSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574519136 950668993 /nfs/dbraw/zinc/66/89/93/950668993.db2.gz BOMBRBREVIWJQH-ZYHUDNBSSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574176094 950670010 /nfs/dbraw/zinc/67/00/10/950670010.db2.gz UGWLSINUBBTVLO-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574176094 950670020 /nfs/dbraw/zinc/67/00/20/950670020.db2.gz UGWLSINUBBTVLO-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cnccn1)C1CC1 ZINC001575005290 950677076 /nfs/dbraw/zinc/67/70/76/950677076.db2.gz AFUXUCVNOGVRHO-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cnccn1)C1CC1 ZINC001575005290 950677088 /nfs/dbraw/zinc/67/70/88/950677088.db2.gz AFUXUCVNOGVRHO-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574760807 950681583 /nfs/dbraw/zinc/68/15/83/950681583.db2.gz LQRKDLTUTBQDRI-SNVBAGLBSA-N -1 3 384.400 0.455 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574760807 950681598 /nfs/dbraw/zinc/68/15/98/950681598.db2.gz LQRKDLTUTBQDRI-SNVBAGLBSA-N -1 3 384.400 0.455 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001574176638 950681781 /nfs/dbraw/zinc/68/17/81/950681781.db2.gz XLAJGRQPZJRXAE-KBPBESRZSA-N -1 3 377.424 0.893 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001574176638 950681800 /nfs/dbraw/zinc/68/18/00/950681800.db2.gz XLAJGRQPZJRXAE-KBPBESRZSA-N -1 3 377.424 0.893 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575005391 950682178 /nfs/dbraw/zinc/68/21/78/950682178.db2.gz CTUCDIRVHHPLAZ-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575005391 950682192 /nfs/dbraw/zinc/68/21/92/950682192.db2.gz CTUCDIRVHHPLAZ-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM CC(C)CCC(=O)NC1(CO)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574176668 950684068 /nfs/dbraw/zinc/68/40/68/950684068.db2.gz XTCCKCRMJROZPJ-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)NC1(CO)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574176668 950684087 /nfs/dbraw/zinc/68/40/87/950684087.db2.gz XTCCKCRMJROZPJ-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575925368 950684250 /nfs/dbraw/zinc/68/42/50/950684250.db2.gz UMZLPBHZIIIVTK-MFKMUULPSA-N -1 3 387.419 0.933 20 0 GCADHM C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575925368 950684270 /nfs/dbraw/zinc/68/42/70/950684270.db2.gz UMZLPBHZIIIVTK-MFKMUULPSA-N -1 3 387.419 0.933 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574519658 950690182 /nfs/dbraw/zinc/69/01/82/950690182.db2.gz XKAATKLNKSBQOE-SRVKXCTJSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574519658 950690206 /nfs/dbraw/zinc/69/02/06/950690206.db2.gz XKAATKLNKSBQOE-SRVKXCTJSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215293 950691395 /nfs/dbraw/zinc/69/13/95/950691395.db2.gz AKOUDSWNOUALBR-MNOVXSKESA-N -1 3 382.432 0.038 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576215218 950691575 /nfs/dbraw/zinc/69/15/75/950691575.db2.gz DRWPTXOEDGHPCV-VHSXEESVSA-N -1 3 382.432 0.735 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001574179070 950694612 /nfs/dbraw/zinc/69/46/12/950694612.db2.gz AFZNYSJKKBBTQL-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001574179070 950694631 /nfs/dbraw/zinc/69/46/31/950694631.db2.gz AFZNYSJKKBBTQL-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574519743 950696094 /nfs/dbraw/zinc/69/60/94/950696094.db2.gz HWNZFBVRYYKHOP-GDLCADMTSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574519743 950696105 /nfs/dbraw/zinc/69/61/05/950696105.db2.gz HWNZFBVRYYKHOP-GDLCADMTSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575005660 950699345 /nfs/dbraw/zinc/69/93/45/950699345.db2.gz KFFIUOFGSGSICA-KRWDZBQOSA-N -1 3 387.444 0.515 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575005660 950699363 /nfs/dbraw/zinc/69/93/63/950699363.db2.gz KFFIUOFGSGSICA-KRWDZBQOSA-N -1 3 387.444 0.515 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001574179370 950703958 /nfs/dbraw/zinc/70/39/58/950703958.db2.gz IGGTVKQUXVQJCP-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001574179370 950703972 /nfs/dbraw/zinc/70/39/72/950703972.db2.gz IGGTVKQUXVQJCP-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1cc2ncccn2n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575005870 950707821 /nfs/dbraw/zinc/70/78/21/950707821.db2.gz OZDNIWAFLHTLFE-LLVKDONJSA-N -1 3 378.400 0.559 20 0 GCADHM C[C@H](CNC(=O)c1cc2ncccn2n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575005870 950707838 /nfs/dbraw/zinc/70/78/38/950707838.db2.gz OZDNIWAFLHTLFE-LLVKDONJSA-N -1 3 378.400 0.559 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576215752 950711021 /nfs/dbraw/zinc/71/10/21/950711021.db2.gz GFQSUUDIBVVEFW-VHSXEESVSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574763404 950713544 /nfs/dbraw/zinc/71/35/44/950713544.db2.gz AIZXFSJTSTZGEI-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574763404 950713560 /nfs/dbraw/zinc/71/35/60/950713560.db2.gz AIZXFSJTSTZGEI-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574179704 950713580 /nfs/dbraw/zinc/71/35/80/950713580.db2.gz KVOHAPWRNKKZRE-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574179704 950713593 /nfs/dbraw/zinc/71/35/93/950713593.db2.gz KVOHAPWRNKKZRE-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ncccc1-c1nnn[n-]1 ZINC001574763493 950716711 /nfs/dbraw/zinc/71/67/11/950716711.db2.gz CEULWFZTBAPNCA-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ncccc1-c1nn[n-]n1 ZINC001574763493 950716720 /nfs/dbraw/zinc/71/67/20/950716720.db2.gz CEULWFZTBAPNCA-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ncccc1-c1nnn[n-]1 ZINC001575006245 950716761 /nfs/dbraw/zinc/71/67/61/950716761.db2.gz UCSREUMMDPTHAT-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ncccc1-c1nn[n-]n1 ZINC001575006245 950716771 /nfs/dbraw/zinc/71/67/71/950716771.db2.gz UCSREUMMDPTHAT-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573878650 950716952 /nfs/dbraw/zinc/71/69/52/950716952.db2.gz YJWXHJPQVYGZPM-IJLUTSLNSA-N -1 3 377.424 0.972 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573878650 950716965 /nfs/dbraw/zinc/71/69/65/950716965.db2.gz YJWXHJPQVYGZPM-IJLUTSLNSA-N -1 3 377.424 0.972 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001574180050 950717544 /nfs/dbraw/zinc/71/75/44/950717544.db2.gz OWGCDNVLRLZMSV-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001574180050 950717572 /nfs/dbraw/zinc/71/75/72/950717572.db2.gz OWGCDNVLRLZMSV-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001576216362 950731614 /nfs/dbraw/zinc/73/16/14/950731614.db2.gz HVMJAKCXPYPCCM-ZBEGNZNMSA-N -1 3 381.444 0.903 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001576216362 950731636 /nfs/dbraw/zinc/73/16/36/950731636.db2.gz HVMJAKCXPYPCCM-ZBEGNZNMSA-N -1 3 381.444 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575007944 950734443 /nfs/dbraw/zinc/73/44/43/950734443.db2.gz BGPBMJZSFLKSKO-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575007944 950734465 /nfs/dbraw/zinc/73/44/65/950734465.db2.gz BGPBMJZSFLKSKO-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cnc(C2CC2)o1 ZINC001575007865 950734638 /nfs/dbraw/zinc/73/46/38/950734638.db2.gz AKGXFUKUECEJQA-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cnc(C2CC2)o1 ZINC001575007865 950734652 /nfs/dbraw/zinc/73/46/52/950734652.db2.gz AKGXFUKUECEJQA-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cnc(C2CC2)o1 ZINC001575007862 950735037 /nfs/dbraw/zinc/73/50/37/950735037.db2.gz AKGXFUKUECEJQA-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cnc(C2CC2)o1 ZINC001575007862 950735049 /nfs/dbraw/zinc/73/50/49/950735049.db2.gz AKGXFUKUECEJQA-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574520494 950735676 /nfs/dbraw/zinc/73/56/76/950735676.db2.gz TTXHFXUJANVUAM-WCQYABFASA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574520494 950735692 /nfs/dbraw/zinc/73/56/92/950735692.db2.gz TTXHFXUJANVUAM-WCQYABFASA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)c3cn(C)c(=O)[nH]c3=O)c(-c3nnn[n-]3)cc2C1 ZINC001576216428 950736386 /nfs/dbraw/zinc/73/63/86/950736386.db2.gz JGOWYVJRPUDSIV-MRVPVSSYSA-N -1 3 382.384 0.438 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)c3cn(C)c(=O)[nH]c3=O)c(-c3nn[n-]n3)cc2C1 ZINC001576216428 950736404 /nfs/dbraw/zinc/73/64/04/950736404.db2.gz JGOWYVJRPUDSIV-MRVPVSSYSA-N -1 3 382.384 0.438 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC001574181276 950738166 /nfs/dbraw/zinc/73/81/66/950738166.db2.gz KTLIDYQUMVGNIV-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC001574181276 950738190 /nfs/dbraw/zinc/73/81/90/950738190.db2.gz KTLIDYQUMVGNIV-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC1(C)CC(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)C1 ZINC001575629746 950743201 /nfs/dbraw/zinc/74/32/01/950743201.db2.gz RUXWHYBPIXDDJN-FZMZJTMJSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)C1 ZINC001575629746 950743215 /nfs/dbraw/zinc/74/32/15/950743215.db2.gz RUXWHYBPIXDDJN-FZMZJTMJSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575629572 950743488 /nfs/dbraw/zinc/74/34/88/950743488.db2.gz PNMZBTPNGXSYCR-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575629572 950743494 /nfs/dbraw/zinc/74/34/94/950743494.db2.gz PNMZBTPNGXSYCR-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3ncccc3-c3nnn[n-]3)cn2C1 ZINC001576216853 950744385 /nfs/dbraw/zinc/74/43/85/950744385.db2.gz JRCUDBOJLOHBNL-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3ncccc3-c3nn[n-]n3)cn2C1 ZINC001576216853 950744401 /nfs/dbraw/zinc/74/44/01/950744401.db2.gz JRCUDBOJLOHBNL-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)n1ccnc1 ZINC001574520722 950746227 /nfs/dbraw/zinc/74/62/27/950746227.db2.gz XUJZOPPRSTYLPY-UYHMYPTGSA-N -1 3 379.428 0.660 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)n1ccnc1 ZINC001574520722 950746248 /nfs/dbraw/zinc/74/62/48/950746248.db2.gz XUJZOPPRSTYLPY-UYHMYPTGSA-N -1 3 379.428 0.660 20 0 GCADHM CC(C)(C)c1cc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001573880386 950747460 /nfs/dbraw/zinc/74/74/60/950747460.db2.gz YFMSMQZRVXEBBF-LBPRGKRZSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001573880386 950747478 /nfs/dbraw/zinc/74/74/78/950747478.db2.gz YFMSMQZRVXEBBF-LBPRGKRZSA-N -1 3 388.432 0.361 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574764405 950748127 /nfs/dbraw/zinc/74/81/27/950748127.db2.gz SGBRPOFUBVWVBH-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574764405 950748148 /nfs/dbraw/zinc/74/81/48/950748148.db2.gz SGBRPOFUBVWVBH-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)CCC(=O)N[C@H]1COC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001574181727 950748100 /nfs/dbraw/zinc/74/81/00/950748100.db2.gz OZAGNFOZSAKYSK-CYBMUJFWSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CCC(=O)N[C@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001574181727 950748113 /nfs/dbraw/zinc/74/81/13/950748113.db2.gz OZAGNFOZSAKYSK-CYBMUJFWSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575008454 950748317 /nfs/dbraw/zinc/74/83/17/950748317.db2.gz FGLWRMPDKJGOQV-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575008454 950748325 /nfs/dbraw/zinc/74/83/25/950748325.db2.gz FGLWRMPDKJGOQV-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576216987 950748836 /nfs/dbraw/zinc/74/88/36/950748836.db2.gz FOWIINNNOBNFLC-LDYMZIIASA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576216987 950748846 /nfs/dbraw/zinc/74/88/46/950748846.db2.gz FOWIINNNOBNFLC-LDYMZIIASA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)CN3CCC(=O)NC3=O)c(-c3nnn[n-]3)cc2C1 ZINC001576216974 950749681 /nfs/dbraw/zinc/74/96/81/950749681.db2.gz LFVCVRWNDKJAFE-VIFPVBQESA-N -1 3 384.400 0.267 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)CN3CCC(=O)NC3=O)c(-c3nn[n-]n3)cc2C1 ZINC001576216974 950749690 /nfs/dbraw/zinc/74/96/90/950749690.db2.gz LFVCVRWNDKJAFE-VIFPVBQESA-N -1 3 384.400 0.267 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001574181733 950750185 /nfs/dbraw/zinc/75/01/85/950750185.db2.gz PAZHQBPJSBQRPN-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001574181733 950750199 /nfs/dbraw/zinc/75/01/99/950750199.db2.gz PAZHQBPJSBQRPN-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574764504 950750802 /nfs/dbraw/zinc/75/08/02/950750802.db2.gz UPXWPAHJUJTNMQ-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574764504 950750815 /nfs/dbraw/zinc/75/08/15/950750815.db2.gz UPXWPAHJUJTNMQ-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574181986 950750975 /nfs/dbraw/zinc/75/09/75/950750975.db2.gz REMRDPSTIDCZAE-OKILXGFUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574181986 950750987 /nfs/dbraw/zinc/75/09/87/950750987.db2.gz REMRDPSTIDCZAE-OKILXGFUSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574764440 950754627 /nfs/dbraw/zinc/75/46/27/950754627.db2.gz SVIWHCISROHARJ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574764440 950754645 /nfs/dbraw/zinc/75/46/45/950754645.db2.gz SVIWHCISROHARJ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CC[C@H](CNS(C)(=O)=O)C2)n1 ZINC001573881470 950754879 /nfs/dbraw/zinc/75/48/79/950754879.db2.gz FDSJTBMMGQWYPV-LLVKDONJSA-N -1 3 379.490 0.935 20 0 GCADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CC[C@H](CNS(C)(=O)=O)C2)n1 ZINC001573881470 950754884 /nfs/dbraw/zinc/75/48/84/950754884.db2.gz FDSJTBMMGQWYPV-LLVKDONJSA-N -1 3 379.490 0.935 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cscn1 ZINC001574520908 950756567 /nfs/dbraw/zinc/75/65/67/950756567.db2.gz BBGYXCASGCDEIR-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cscn1 ZINC001574520908 950756584 /nfs/dbraw/zinc/75/65/84/950756584.db2.gz BBGYXCASGCDEIR-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001575008795 950756826 /nfs/dbraw/zinc/75/68/26/950756826.db2.gz IHMRBZPNGJTNLX-VXGBXAGGSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001575008795 950756838 /nfs/dbraw/zinc/75/68/38/950756838.db2.gz IHMRBZPNGJTNLX-VXGBXAGGSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217393 950760711 /nfs/dbraw/zinc/76/07/11/950760711.db2.gz NJOOQPKTWAHMKV-NXEZZACHSA-N -1 3 382.432 0.735 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)C1 ZINC001575630761 950766798 /nfs/dbraw/zinc/76/67/98/950766798.db2.gz HHMKXZACDSPFRH-OLZOCXBDSA-N -1 3 375.408 0.503 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)C1 ZINC001575630761 950766812 /nfs/dbraw/zinc/76/68/12/950766812.db2.gz HHMKXZACDSPFRH-OLZOCXBDSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001575009081 950768915 /nfs/dbraw/zinc/76/89/15/950768915.db2.gz NGLXPPCFBUPZNR-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001575009081 950768933 /nfs/dbraw/zinc/76/89/33/950768933.db2.gz NGLXPPCFBUPZNR-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574764958 950770113 /nfs/dbraw/zinc/77/01/13/950770113.db2.gz APDWHELWYDALLS-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574764958 950770136 /nfs/dbraw/zinc/77/01/36/950770136.db2.gz APDWHELWYDALLS-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cnn(C)c1 ZINC001574521353 950775363 /nfs/dbraw/zinc/77/53/63/950775363.db2.gz FPXLLJFIGUSJNE-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cnn(C)c1 ZINC001574521353 950775374 /nfs/dbraw/zinc/77/53/74/950775374.db2.gz FPXLLJFIGUSJNE-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001575009188 950780595 /nfs/dbraw/zinc/78/05/95/950780595.db2.gz PJNWMBBVOFJFHV-OMPKRAJASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001575009188 950780610 /nfs/dbraw/zinc/78/06/10/950780610.db2.gz PJNWMBBVOFJFHV-OMPKRAJASA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)[C@@H](C)NC(=O)CN(C)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765262 950783187 /nfs/dbraw/zinc/78/31/87/950783187.db2.gz AVNSWFICYWOGOW-VXGBXAGGSA-N -1 3 376.465 0.406 20 0 GCADHM CC(C)(C)c1csc(NC(=O)NCCC(=O)NC(N)=O)c1-c1nnn[n-]1 ZINC001573884053 950783702 /nfs/dbraw/zinc/78/37/02/950783702.db2.gz FFYFMCDDMVEZMV-UHFFFAOYSA-N -1 3 380.434 0.932 20 0 GCADHM CC(C)(C)c1csc(NC(=O)NCCC(=O)NC(N)=O)c1-c1nn[n-]n1 ZINC001573884053 950783717 /nfs/dbraw/zinc/78/37/17/950783717.db2.gz FFYFMCDDMVEZMV-UHFFFAOYSA-N -1 3 380.434 0.932 20 0 GCADHM CC(C)[C@@H](C)NC(=O)CN(C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765259 950783875 /nfs/dbraw/zinc/78/38/75/950783875.db2.gz AVNSWFICYWOGOW-NWDGAFQWSA-N -1 3 376.465 0.406 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)C1(F)CCOCC1 ZINC001575009262 950783895 /nfs/dbraw/zinc/78/38/95/950783895.db2.gz RFPYETFFEFFVLF-SNVBAGLBSA-N -1 3 379.396 0.196 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)C1(F)CCOCC1 ZINC001575009262 950783910 /nfs/dbraw/zinc/78/39/10/950783910.db2.gz RFPYETFFEFFVLF-SNVBAGLBSA-N -1 3 379.396 0.196 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575929609 950786707 /nfs/dbraw/zinc/78/67/07/950786707.db2.gz CSUDTCGUQRTGEZ-GWCFXTLKSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575929609 950786724 /nfs/dbraw/zinc/78/67/24/950786724.db2.gz CSUDTCGUQRTGEZ-GWCFXTLKSA-N -1 3 391.457 0.098 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573884193 950787770 /nfs/dbraw/zinc/78/77/70/950787770.db2.gz ANBRAEUKGGSVQM-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573884193 950787783 /nfs/dbraw/zinc/78/77/83/950787783.db2.gz ANBRAEUKGGSVQM-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574765487 950788335 /nfs/dbraw/zinc/78/83/35/950788335.db2.gz CXGVOMQRLXTKDH-SNVBAGLBSA-N -1 3 384.400 0.895 20 0 GCADHM C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574765487 950788351 /nfs/dbraw/zinc/78/83/51/950788351.db2.gz CXGVOMQRLXTKDH-SNVBAGLBSA-N -1 3 384.400 0.895 20 0 GCADHM CC1(C)CC(C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001575632071 950788362 /nfs/dbraw/zinc/78/83/62/950788362.db2.gz ZBYJOXYBAOJQIM-UHFFFAOYSA-N -1 3 384.488 0.936 20 0 GCADHM CC1(C)CC(C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001575632071 950788378 /nfs/dbraw/zinc/78/83/78/950788378.db2.gz ZBYJOXYBAOJQIM-UHFFFAOYSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575009576 950788766 /nfs/dbraw/zinc/78/87/66/950788766.db2.gz VAHZTYXVQVLZIP-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575009576 950788783 /nfs/dbraw/zinc/78/87/83/950788783.db2.gz VAHZTYXVQVLZIP-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001573884178 950788845 /nfs/dbraw/zinc/78/88/45/950788845.db2.gz ALGNKFAXEVYXQV-MGCOHNPYSA-N -1 3 385.432 0.926 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575009340 950789620 /nfs/dbraw/zinc/78/96/20/950789620.db2.gz UFEKQBQGOGDXEK-VXGBXAGGSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575009340 950789632 /nfs/dbraw/zinc/78/96/32/950789632.db2.gz UFEKQBQGOGDXEK-VXGBXAGGSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)CC(=O)NCc1ccco1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574765574 950790275 /nfs/dbraw/zinc/79/02/75/950790275.db2.gz FGRPMOBMJGGHND-LLVKDONJSA-N -1 3 386.416 0.154 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574184840 950790484 /nfs/dbraw/zinc/79/04/84/950790484.db2.gz OQNVWTGGIKALMI-LBPRGKRZSA-N -1 3 377.449 0.570 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574184840 950790501 /nfs/dbraw/zinc/79/05/01/950790501.db2.gz OQNVWTGGIKALMI-LBPRGKRZSA-N -1 3 377.449 0.570 20 0 GCADHM C[C@H](CN(C)C(=O)c1coc(C(N)=O)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574765543 950790968 /nfs/dbraw/zinc/79/09/68/950790968.db2.gz IALTWNAKHCYKKJ-MRVPVSSYSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@H](CN(C)C(=O)c1coc(C(N)=O)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574765543 950790972 /nfs/dbraw/zinc/79/09/72/950790972.db2.gz IALTWNAKHCYKKJ-MRVPVSSYSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)CCCC(N)=O ZINC001575930173 950790946 /nfs/dbraw/zinc/79/09/46/950790946.db2.gz DTMBFYDLOBVMIR-CABZTGNLSA-N -1 3 392.851 0.972 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)CCCC(N)=O ZINC001575930173 950790953 /nfs/dbraw/zinc/79/09/53/950790953.db2.gz DTMBFYDLOBVMIR-CABZTGNLSA-N -1 3 392.851 0.972 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)CCCC(N)=O ZINC001575930176 950792428 /nfs/dbraw/zinc/79/24/28/950792428.db2.gz DTMBFYDLOBVMIR-JOYOIKCWSA-N -1 3 392.851 0.972 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)CCCC(N)=O ZINC001575930176 950792446 /nfs/dbraw/zinc/79/24/46/950792446.db2.gz DTMBFYDLOBVMIR-JOYOIKCWSA-N -1 3 392.851 0.972 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001573884346 950795937 /nfs/dbraw/zinc/79/59/37/950795937.db2.gz DEYWVLXFUITMPQ-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001573884346 950795954 /nfs/dbraw/zinc/79/59/54/950795954.db2.gz DEYWVLXFUITMPQ-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574185309 950798072 /nfs/dbraw/zinc/79/80/72/950798072.db2.gz YADWRGWPYLUFRP-ZDUSSCGKSA-N -1 3 377.449 0.570 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574185309 950798091 /nfs/dbraw/zinc/79/80/91/950798091.db2.gz YADWRGWPYLUFRP-ZDUSSCGKSA-N -1 3 377.449 0.570 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574185271 950799007 /nfs/dbraw/zinc/79/90/07/950799007.db2.gz WWPBMDXDOMQTPL-CQSZACIVSA-N -1 3 391.476 0.912 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574185271 950799015 /nfs/dbraw/zinc/79/90/15/950799015.db2.gz WWPBMDXDOMQTPL-CQSZACIVSA-N -1 3 391.476 0.912 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573884689 950799940 /nfs/dbraw/zinc/79/99/40/950799940.db2.gz IURIMKMWHNTSTB-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573884689 950799957 /nfs/dbraw/zinc/79/99/57/950799957.db2.gz IURIMKMWHNTSTB-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM C[C@@H](CN(C)CC(=O)NCC(C)(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765947 950801480 /nfs/dbraw/zinc/80/14/80/950801480.db2.gz GRUHDDATLKXMKV-NSHDSACASA-N -1 3 376.465 0.407 20 0 GCADHM C[C@@H](CN(C)CC(=O)NCC(C)(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765947 950801498 /nfs/dbraw/zinc/80/14/98/950801498.db2.gz GRUHDDATLKXMKV-NSHDSACASA-N -1 3 376.465 0.407 20 0 GCADHM CC(C)(C)c1[nH]cnc1C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1 ZINC001573884716 950802084 /nfs/dbraw/zinc/80/20/84/950802084.db2.gz JQYZJMRFMZGZSW-UHFFFAOYSA-N -1 3 386.420 0.699 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC(F)F ZINC001574523122 950809684 /nfs/dbraw/zinc/80/96/84/950809684.db2.gz MDYDIMPYYMEMLB-IUCAKERBSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC(F)F ZINC001574523122 950809700 /nfs/dbraw/zinc/80/97/00/950809700.db2.gz MDYDIMPYYMEMLB-IUCAKERBSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccn(C)n1 ZINC001574523172 950809741 /nfs/dbraw/zinc/80/97/41/950809741.db2.gz MPQCNVABQSQKNS-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccn(C)n1 ZINC001574523172 950809776 /nfs/dbraw/zinc/80/97/76/950809776.db2.gz MPQCNVABQSQKNS-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575633273 950810969 /nfs/dbraw/zinc/81/09/69/950810969.db2.gz QZCFJRILGBFRMR-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575633273 950810991 /nfs/dbraw/zinc/81/09/91/950810991.db2.gz QZCFJRILGBFRMR-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1ncnn1CCF ZINC001575010180 950815064 /nfs/dbraw/zinc/81/50/64/950815064.db2.gz BZQXSJUXDRWQOR-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1ncnn1CCF ZINC001575010180 950815091 /nfs/dbraw/zinc/81/50/91/950815091.db2.gz BZQXSJUXDRWQOR-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM C[C@@H](CN(C)[C@@H](C)c1nnnn1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574766381 950817883 /nfs/dbraw/zinc/81/78/83/950817883.db2.gz JHAVZMJEIHVTBD-UWVGGRQHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H](CN(C)[C@@H](C)c1nnnn1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574766381 950817904 /nfs/dbraw/zinc/81/79/04/950817904.db2.gz JHAVZMJEIHVTBD-UWVGGRQHSA-N -1 3 385.436 0.328 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575633776 950820194 /nfs/dbraw/zinc/82/01/94/950820194.db2.gz XCHMCPJHUVNUHC-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575633776 950820218 /nfs/dbraw/zinc/82/02/18/950820218.db2.gz XCHMCPJHUVNUHC-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nnn(C)n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574766595 950820871 /nfs/dbraw/zinc/82/08/71/950820871.db2.gz JSGMEABDSFRBFT-ZETCQYMHSA-N -1 3 377.800 0.011 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nnn(C)n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574766595 950820893 /nfs/dbraw/zinc/82/08/93/950820893.db2.gz JSGMEABDSFRBFT-ZETCQYMHSA-N -1 3 377.800 0.011 20 0 GCADHM CC(C)CCCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574187008 950823495 /nfs/dbraw/zinc/82/34/95/950823495.db2.gz LYDGFUFGRHWEHZ-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574187008 950823512 /nfs/dbraw/zinc/82/35/12/950823512.db2.gz LYDGFUFGRHWEHZ-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)COCc3nncn3C)c(-c3nnn[n-]3)cc2C1 ZINC001576220201 950827244 /nfs/dbraw/zinc/82/72/44/950827244.db2.gz WDBOPBHMPVOMOR-JTQLQIEISA-N -1 3 383.416 0.670 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)COCc3nncn3C)c(-c3nn[n-]n3)cc2C1 ZINC001576220201 950827273 /nfs/dbraw/zinc/82/72/73/950827273.db2.gz WDBOPBHMPVOMOR-JTQLQIEISA-N -1 3 383.416 0.670 20 0 GCADHM CC(C)(C)c1noc(CNC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001573885465 950829510 /nfs/dbraw/zinc/82/95/10/950829510.db2.gz RUICGVSHBSYMRG-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM CC(C)(C)c1noc(CNC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001573885465 950829533 /nfs/dbraw/zinc/82/95/33/950829533.db2.gz RUICGVSHBSYMRG-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)Cn1cnnn1 ZINC001575932822 950832769 /nfs/dbraw/zinc/83/27/69/950832769.db2.gz NBXIPSNCODYHHA-KWQFWETISA-N -1 3 389.811 0.003 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cn1cnnn1 ZINC001575932822 950832792 /nfs/dbraw/zinc/83/27/92/950832792.db2.gz NBXIPSNCODYHHA-KWQFWETISA-N -1 3 389.811 0.003 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)co1 ZINC001573885804 950834462 /nfs/dbraw/zinc/83/44/62/950834462.db2.gz UURWHRKWMFDBGF-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)co1 ZINC001573885804 950834486 /nfs/dbraw/zinc/83/44/86/950834486.db2.gz UURWHRKWMFDBGF-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001575011021 950843217 /nfs/dbraw/zinc/84/32/17/950843217.db2.gz LSLUOQYZZDNMBY-GHMZBOCLSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001575011021 950843237 /nfs/dbraw/zinc/84/32/37/950843237.db2.gz LSLUOQYZZDNMBY-GHMZBOCLSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575011023 950845484 /nfs/dbraw/zinc/84/54/84/950845484.db2.gz LSLUOQYZZDNMBY-QWRGUYRKSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575011023 950845506 /nfs/dbraw/zinc/84/55/06/950845506.db2.gz LSLUOQYZZDNMBY-QWRGUYRKSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575933666 950845219 /nfs/dbraw/zinc/84/52/19/950845219.db2.gz PFCHLBHXBXKLLF-KCJUWKMLSA-N -1 3 387.379 0.555 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575933666 950845240 /nfs/dbraw/zinc/84/52/40/950845240.db2.gz PFCHLBHXBXKLLF-KCJUWKMLSA-N -1 3 387.379 0.555 20 0 GCADHM CC1(C)C[C@@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC001575638676 950845244 /nfs/dbraw/zinc/84/52/44/950845244.db2.gz IFQOBLLCVMNWOM-QWHCGFSZSA-N -1 3 379.442 0.372 20 0 GCADHM CC1(C)C[C@@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC001575638676 950845264 /nfs/dbraw/zinc/84/52/64/950845264.db2.gz IFQOBLLCVMNWOM-QWHCGFSZSA-N -1 3 379.442 0.372 20 0 GCADHM CC1(C)C[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC001575638677 950846096 /nfs/dbraw/zinc/84/60/96/950846096.db2.gz IFQOBLLCVMNWOM-STQMWFEESA-N -1 3 379.442 0.372 20 0 GCADHM CC1(C)C[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC001575638677 950846116 /nfs/dbraw/zinc/84/61/16/950846116.db2.gz IFQOBLLCVMNWOM-STQMWFEESA-N -1 3 379.442 0.372 20 0 GCADHM C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)cn3)c2C1 ZINC001576221059 950846709 /nfs/dbraw/zinc/84/67/09/950846709.db2.gz ZCBKLWCDZJMISO-NSHDSACASA-N -1 3 381.444 0.976 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573887513 950847304 /nfs/dbraw/zinc/84/73/04/950847304.db2.gz FWHUXIBDPMDXFS-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573887513 950847329 /nfs/dbraw/zinc/84/73/29/950847329.db2.gz FWHUXIBDPMDXFS-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001575011161 950848138 /nfs/dbraw/zinc/84/81/38/950848138.db2.gz NGYODYDVMUEGRN-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001575011161 950848161 /nfs/dbraw/zinc/84/81/61/950848161.db2.gz NGYODYDVMUEGRN-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnoc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767291 950848338 /nfs/dbraw/zinc/84/83/38/950848338.db2.gz PNHGDBUCXUVSOU-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnoc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767291 950848357 /nfs/dbraw/zinc/84/83/57/950848357.db2.gz PNHGDBUCXUVSOU-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574188253 950849779 /nfs/dbraw/zinc/84/97/79/950849779.db2.gz VVRAMCNQHKNAQR-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574188253 950849804 /nfs/dbraw/zinc/84/98/04/950849804.db2.gz VVRAMCNQHKNAQR-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)C1=COCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574524208 950851737 /nfs/dbraw/zinc/85/17/37/950851737.db2.gz UZHSZCJEVSTWMA-ZJUUUORDSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)C1=COCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574524208 950851765 /nfs/dbraw/zinc/85/17/65/950851765.db2.gz UZHSZCJEVSTWMA-ZJUUUORDSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575011370 950852385 /nfs/dbraw/zinc/85/23/85/950852385.db2.gz OKBQMIIKGDYCEK-NVBFEUDRSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575011370 950852404 /nfs/dbraw/zinc/85/24/04/950852404.db2.gz OKBQMIIKGDYCEK-NVBFEUDRSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001575934387 950858245 /nfs/dbraw/zinc/85/82/45/950858245.db2.gz RBHKIRBDOSAHCJ-LDYMZIIASA-N -1 3 387.379 0.555 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnsn1 ZINC001575934693 950860579 /nfs/dbraw/zinc/86/05/79/950860579.db2.gz SNIQPMRSILTTFS-GMSGAONNSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnsn1 ZINC001575934693 950860593 /nfs/dbraw/zinc/86/05/93/950860593.db2.gz SNIQPMRSILTTFS-GMSGAONNSA-N -1 3 375.393 0.967 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001574189241 950870052 /nfs/dbraw/zinc/87/00/52/950870052.db2.gz GJXWGFLPEQTHGO-SWLSCSKDSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001574189241 950870060 /nfs/dbraw/zinc/87/00/60/950870060.db2.gz GJXWGFLPEQTHGO-SWLSCSKDSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573888572 950870281 /nfs/dbraw/zinc/87/02/81/950870281.db2.gz WKTVCXRKZOEMJC-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573888572 950870290 /nfs/dbraw/zinc/87/02/90/950870290.db2.gz WKTVCXRKZOEMJC-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C(C)(C)C1CCOCC1 ZINC001575012269 950882629 /nfs/dbraw/zinc/88/26/29/950882629.db2.gz XSCIZYDBGUVMTO-LLVKDONJSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)C1CCOCC1 ZINC001575012269 950882641 /nfs/dbraw/zinc/88/26/41/950882641.db2.gz XSCIZYDBGUVMTO-LLVKDONJSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574768289 950883566 /nfs/dbraw/zinc/88/35/66/950883566.db2.gz TUIQPFRLCMHCJU-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768289 950883581 /nfs/dbraw/zinc/88/35/81/950883581.db2.gz TUIQPFRLCMHCJU-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)CC(=O)NCCC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768260 950884040 /nfs/dbraw/zinc/88/40/40/950884040.db2.gz SQLPEOHGPYTCQL-LBPRGKRZSA-N -1 3 390.492 0.797 20 0 GCADHM C[C@H](CN(C)CC(=O)NCCC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768259 950886095 /nfs/dbraw/zinc/88/60/95/950886095.db2.gz SQLPEOHGPYTCQL-GFCCVEGCSA-N -1 3 390.492 0.797 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cnnn1C ZINC001575935592 950886183 /nfs/dbraw/zinc/88/61/83/950886183.db2.gz YHAUTRKFDZOKAM-KCJUWKMLSA-N -1 3 388.823 0.759 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cnnn1C ZINC001575935592 950886197 /nfs/dbraw/zinc/88/61/97/950886197.db2.gz YHAUTRKFDZOKAM-KCJUWKMLSA-N -1 3 388.823 0.759 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cccc(=O)[nH]1 ZINC001574527438 950887016 /nfs/dbraw/zinc/88/70/16/950887016.db2.gz BQURTUNNDAECHL-VHSXEESVSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cccc(=O)[nH]1 ZINC001574527438 950887030 /nfs/dbraw/zinc/88/70/30/950887030.db2.gz BQURTUNNDAECHL-VHSXEESVSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1ncc(Cl)n1C ZINC001575012359 950889725 /nfs/dbraw/zinc/88/97/25/950889725.db2.gz ZDRMUXXNGWPKRO-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1ncc(Cl)n1C ZINC001575012359 950889735 /nfs/dbraw/zinc/88/97/35/950889735.db2.gz ZDRMUXXNGWPKRO-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM CC(C)(C)n1ncnc1CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573893501 950889763 /nfs/dbraw/zinc/88/97/63/950889763.db2.gz IWRWOJMQCJZIQN-UHFFFAOYSA-N -1 3 384.448 0.499 20 0 GCADHM CC(C)(C)n1ncnc1CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573893501 950889783 /nfs/dbraw/zinc/88/97/83/950889783.db2.gz IWRWOJMQCJZIQN-UHFFFAOYSA-N -1 3 384.448 0.499 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)CC(=O)Nc1ccccc1 ZINC001575012402 950891530 /nfs/dbraw/zinc/89/15/30/950891530.db2.gz ZNOWNGQQKNWTNQ-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)Nc1ccccc1 ZINC001575012402 950891546 /nfs/dbraw/zinc/89/15/46/950891546.db2.gz ZNOWNGQQKNWTNQ-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](CN(C)CC(=O)NCc1ccco1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574768673 950893987 /nfs/dbraw/zinc/89/39/87/950893987.db2.gz VCUQAHOLSMMMOU-LLVKDONJSA-N -1 3 386.416 0.154 20 0 GCADHM C[C@H](CN(C)CC(=O)NCc1ccco1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574768673 950894008 /nfs/dbraw/zinc/89/40/08/950894008.db2.gz VCUQAHOLSMMMOU-LLVKDONJSA-N -1 3 386.416 0.154 20 0 GCADHM CC1(C)C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN(Cc2cnon2)C1 ZINC001575640440 950894402 /nfs/dbraw/zinc/89/44/02/950894402.db2.gz HGEAISHIMRBGBO-LBPRGKRZSA-N -1 3 385.432 0.998 20 0 GCADHM CC1(C)C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN(Cc2cnon2)C1 ZINC001575640440 950894419 /nfs/dbraw/zinc/89/44/19/950894419.db2.gz HGEAISHIMRBGBO-LBPRGKRZSA-N -1 3 385.432 0.998 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccn(C(F)F)n1 ZINC001575014112 950899633 /nfs/dbraw/zinc/89/96/33/950899633.db2.gz DEMMISUDRKHZBH-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccn(C(F)F)n1 ZINC001575014112 950899650 /nfs/dbraw/zinc/89/96/50/950899650.db2.gz DEMMISUDRKHZBH-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574768900 950903488 /nfs/dbraw/zinc/90/34/88/950903488.db2.gz XDYZGOUWARDLNJ-SNVBAGLBSA-N -1 3 385.436 0.576 20 0 GCADHM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574768900 950903505 /nfs/dbraw/zinc/90/35/05/950903505.db2.gz XDYZGOUWARDLNJ-SNVBAGLBSA-N -1 3 385.436 0.576 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575935930 950904651 /nfs/dbraw/zinc/90/46/51/950904651.db2.gz CEGSBQNDFMFPEH-JQWIXIFHSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575935930 950904665 /nfs/dbraw/zinc/90/46/65/950904665.db2.gz CEGSBQNDFMFPEH-JQWIXIFHSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c(F)cncc1F ZINC001575014709 950910292 /nfs/dbraw/zinc/91/02/92/950910292.db2.gz IDRWDMOSBWRAAT-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c(F)cncc1F ZINC001575014709 950910305 /nfs/dbraw/zinc/91/03/05/950910305.db2.gz IDRWDMOSBWRAAT-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)N2CC[C@H](N=c3cc[nH]cc3-c3nnn[n-]3)C2)n1 ZINC001573893910 950910499 /nfs/dbraw/zinc/91/04/99/950910499.db2.gz BUWINDGVZAOWAQ-LBPRGKRZSA-N -1 3 381.444 0.962 20 0 GCADHM CC(C)(C)n1ccc(C(=O)N2CC[C@H](N=c3cc[nH]cc3-c3nn[n-]n3)C2)n1 ZINC001573893910 950910517 /nfs/dbraw/zinc/91/05/17/950910517.db2.gz BUWINDGVZAOWAQ-LBPRGKRZSA-N -1 3 381.444 0.962 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1csc(=O)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527915 950913283 /nfs/dbraw/zinc/91/32/83/950913283.db2.gz ILQZVEMOCWDQIO-YUMQZZPRSA-N -1 3 390.429 0.684 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)n1 ZINC001573893950 950913843 /nfs/dbraw/zinc/91/38/43/950913843.db2.gz DZGPNENSMXKZGY-LLVKDONJSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)n1 ZINC001573893950 950913861 /nfs/dbraw/zinc/91/38/61/950913861.db2.gz DZGPNENSMXKZGY-LLVKDONJSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]n1 ZINC001575936518 950916994 /nfs/dbraw/zinc/91/69/94/950916994.db2.gz GBZDGHHTDMQEDR-PHDIDXHHSA-N -1 3 380.825 0.810 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576227692 950918788 /nfs/dbraw/zinc/91/87/88/950918788.db2.gz HWVIFSJPGXOGKX-AAEUAGOBSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576227692 950918802 /nfs/dbraw/zinc/91/88/02/950918802.db2.gz HWVIFSJPGXOGKX-AAEUAGOBSA-N -1 3 387.444 0.446 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575641628 950922399 /nfs/dbraw/zinc/92/23/99/950922399.db2.gz CNTBZTUSMNNDSH-GFCCVEGCSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575641628 950922413 /nfs/dbraw/zinc/92/24/13/950922413.db2.gz CNTBZTUSMNNDSH-GFCCVEGCSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575641658 950923342 /nfs/dbraw/zinc/92/33/42/950923342.db2.gz CWYYOPTWCGPLDL-CHWSQXEVSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575641658 950923358 /nfs/dbraw/zinc/92/33/58/950923358.db2.gz CWYYOPTWCGPLDL-CHWSQXEVSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cccn(C)c1=O ZINC001575936838 950925133 /nfs/dbraw/zinc/92/51/33/950925133.db2.gz IVVZXEUZHVOPKZ-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575936838 950925151 /nfs/dbraw/zinc/92/51/51/950925151.db2.gz IVVZXEUZHVOPKZ-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573894131 950925282 /nfs/dbraw/zinc/92/52/82/950925282.db2.gz NCBLFGRTWHXAED-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573894131 950925295 /nfs/dbraw/zinc/92/52/95/950925295.db2.gz NCBLFGRTWHXAED-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575641661 950925666 /nfs/dbraw/zinc/92/56/66/950925666.db2.gz CWYYOPTWCGPLDL-OLZOCXBDSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575641661 950925677 /nfs/dbraw/zinc/92/56/77/950925677.db2.gz CWYYOPTWCGPLDL-OLZOCXBDSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001575015299 950929991 /nfs/dbraw/zinc/92/99/91/950929991.db2.gz OUFGXINTHPETJY-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001575015299 950930003 /nfs/dbraw/zinc/93/00/03/950930003.db2.gz OUFGXINTHPETJY-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc2c(c1)CCO2 ZINC001575015437 950933116 /nfs/dbraw/zinc/93/31/16/950933116.db2.gz QMDYFZBRASBAFR-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc2c(c1)CCO2 ZINC001575015437 950933129 /nfs/dbraw/zinc/93/31/29/950933129.db2.gz QMDYFZBRASBAFR-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM CC1(C)C[C@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)CCS1(=O)=O ZINC001575642358 950937083 /nfs/dbraw/zinc/93/70/83/950937083.db2.gz TYJDQUIJHWWHMI-LLVKDONJSA-N -1 3 379.446 0.146 20 0 GCADHM CC1(C)C[C@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)CCS1(=O)=O ZINC001575642358 950937102 /nfs/dbraw/zinc/93/71/02/950937102.db2.gz TYJDQUIJHWWHMI-LLVKDONJSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(N(C)C)nc1 ZINC001575015493 950937435 /nfs/dbraw/zinc/93/74/35/950937435.db2.gz RLWQBDNIAHFHKL-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(N(C)C)nc1 ZINC001575015493 950937457 /nfs/dbraw/zinc/93/74/57/950937457.db2.gz RLWQBDNIAHFHKL-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001575015949 950954657 /nfs/dbraw/zinc/95/46/57/950954657.db2.gz YOTIXZPIKONZSV-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001575015949 950954671 /nfs/dbraw/zinc/95/46/71/950954671.db2.gz YOTIXZPIKONZSV-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)[C@@H](C)n1cncn1 ZINC001574772119 950956852 /nfs/dbraw/zinc/95/68/52/950956852.db2.gz PPQXTYUKJNCVMH-VXGBXAGGSA-N -1 3 387.423 0.795 20 0 GCADHM CC(C)(CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573897448 950960064 /nfs/dbraw/zinc/96/00/64/950960064.db2.gz PNDYHPFKJARENS-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573897448 950960075 /nfs/dbraw/zinc/96/00/75/950960075.db2.gz PNDYHPFKJARENS-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C)c1C1CC1 ZINC001575016997 950967024 /nfs/dbraw/zinc/96/70/24/950967024.db2.gz FMUOOJFVVDABKC-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C)c1C1CC1 ZINC001575016997 950967040 /nfs/dbraw/zinc/96/70/40/950967040.db2.gz FMUOOJFVVDABKC-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnc(C2CCC2)n1C ZINC001575017081 950971528 /nfs/dbraw/zinc/97/15/28/950971528.db2.gz HCCHZWRANBUIER-JTQLQIEISA-N -1 3 384.448 0.499 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@H]1CO[C@@H](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575938403 950975260 /nfs/dbraw/zinc/97/52/60/950975260.db2.gz KXBUZEMEANAUDA-QWHCGFSZSA-N -1 3 389.460 0.929 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@H]1CO[C@@H](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575938403 950975272 /nfs/dbraw/zinc/97/52/72/950975272.db2.gz KXBUZEMEANAUDA-QWHCGFSZSA-N -1 3 389.460 0.929 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1nc(Cl)cs1 ZINC001575017097 950976428 /nfs/dbraw/zinc/97/64/28/950976428.db2.gz HHTGFKYLZITZEG-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1nc(Cl)cs1 ZINC001575017097 950976443 /nfs/dbraw/zinc/97/64/43/950976443.db2.gz HHTGFKYLZITZEG-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCO2 ZINC001575643876 950979209 /nfs/dbraw/zinc/97/92/09/950979209.db2.gz PUFGWDCYNSGFHE-LBPRGKRZSA-N -1 3 385.428 0.294 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001575643876 950979222 /nfs/dbraw/zinc/97/92/22/950979222.db2.gz PUFGWDCYNSGFHE-LBPRGKRZSA-N -1 3 385.428 0.294 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575643895 950979891 /nfs/dbraw/zinc/97/98/91/950979891.db2.gz QLURRQDBZJODRD-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575643895 950979908 /nfs/dbraw/zinc/97/99/08/950979908.db2.gz QLURRQDBZJODRD-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573899582 950983109 /nfs/dbraw/zinc/98/31/09/950983109.db2.gz GQTCYHDZRHBRGF-MRVPVSSYSA-N -1 3 385.375 0.083 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573899582 950983131 /nfs/dbraw/zinc/98/31/31/950983131.db2.gz GQTCYHDZRHBRGF-MRVPVSSYSA-N -1 3 385.375 0.083 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)Cn1ccccc1=O ZINC001575938529 950985629 /nfs/dbraw/zinc/98/56/29/950985629.db2.gz OLQDDWIUCISWCU-TZMCWYRMSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)Cn1ccccc1=O ZINC001575938529 950985645 /nfs/dbraw/zinc/98/56/45/950985645.db2.gz OLQDDWIUCISWCU-TZMCWYRMSA-N -1 3 380.412 0.525 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575644484 950987508 /nfs/dbraw/zinc/98/75/08/950987508.db2.gz UCLGNXIYQPUEON-KZULUSFZSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575644484 950987520 /nfs/dbraw/zinc/98/75/20/950987520.db2.gz UCLGNXIYQPUEON-KZULUSFZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575938528 950988490 /nfs/dbraw/zinc/98/84/90/950988490.db2.gz LMIJYXOKRGYOFE-NEPJUHHUSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575938528 950988502 /nfs/dbraw/zinc/98/85/02/950988502.db2.gz LMIJYXOKRGYOFE-NEPJUHHUSA-N -1 3 375.433 0.540 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575644483 950989236 /nfs/dbraw/zinc/98/92/36/950989236.db2.gz UCLGNXIYQPUEON-KPZWWZAWSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575644483 950989250 /nfs/dbraw/zinc/98/92/50/950989250.db2.gz UCLGNXIYQPUEON-KPZWWZAWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1coc(C2CCC2)n1 ZINC001575017516 950999403 /nfs/dbraw/zinc/99/94/03/950999403.db2.gz KYZKZPXDOSUCRU-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1coc(C2CCC2)n1 ZINC001575017516 950999417 /nfs/dbraw/zinc/99/94/17/950999417.db2.gz KYZKZPXDOSUCRU-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)(CC(F)F)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573900377 951001990 /nfs/dbraw/zinc/00/19/90/951001990.db2.gz YTTQRKDNUUDYNE-MRVPVSSYSA-N -1 3 385.375 0.083 20 0 GCADHM CC(C)(CC(F)F)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573900377 951002013 /nfs/dbraw/zinc/00/20/13/951002013.db2.gz YTTQRKDNUUDYNE-MRVPVSSYSA-N -1 3 385.375 0.083 20 0 GCADHM CC(C)(CC(F)F)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573900378 951002264 /nfs/dbraw/zinc/00/22/64/951002264.db2.gz YTTQRKDNUUDYNE-QMMMGPOBSA-N -1 3 385.375 0.083 20 0 GCADHM C[C@H]1CN(C(=O)C2=COCCC2)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576230341 951002006 /nfs/dbraw/zinc/00/20/06/951002006.db2.gz BQJRHCIYQMMZAF-AAEUAGOBSA-N -1 3 385.428 0.713 20 0 GCADHM C[C@H]1CN(C(=O)C2=COCCC2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576230341 951002033 /nfs/dbraw/zinc/00/20/33/951002033.db2.gz BQJRHCIYQMMZAF-AAEUAGOBSA-N -1 3 385.428 0.713 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1n[nH]cc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530829 951002355 /nfs/dbraw/zinc/00/23/55/951002355.db2.gz XOPGWQOLOKEFHI-YUMQZZPRSA-N -1 3 375.368 0.384 20 0 GCADHM CC(C)(CC(F)F)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573900378 951002285 /nfs/dbraw/zinc/00/22/85/951002285.db2.gz YTTQRKDNUUDYNE-QMMMGPOBSA-N -1 3 385.375 0.083 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn2c1CCCC2 ZINC001575017700 951007544 /nfs/dbraw/zinc/00/75/44/951007544.db2.gz MRMXFEQITXKNSS-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn2c1CCCC2 ZINC001575017700 951007563 /nfs/dbraw/zinc/00/75/63/951007563.db2.gz MRMXFEQITXKNSS-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001574530951 951008102 /nfs/dbraw/zinc/00/81/02/951008102.db2.gz FBAZLZGOVWQQMN-MNOVXSKESA-N -1 3 375.433 0.513 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001574530951 951008117 /nfs/dbraw/zinc/00/81/17/951008117.db2.gz FBAZLZGOVWQQMN-MNOVXSKESA-N -1 3 375.433 0.513 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575646560 951008447 /nfs/dbraw/zinc/00/84/47/951008447.db2.gz BFHSRPONEKIKLT-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575646560 951008465 /nfs/dbraw/zinc/00/84/65/951008465.db2.gz BFHSRPONEKIKLT-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C2CCC2)nn1 ZINC001575017881 951013467 /nfs/dbraw/zinc/01/34/67/951013467.db2.gz OJEOHQCCXGOHEE-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C2CCC2)nn1 ZINC001575017881 951013481 /nfs/dbraw/zinc/01/34/81/951013481.db2.gz OJEOHQCCXGOHEE-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575019050 951029373 /nfs/dbraw/zinc/02/93/73/951029373.db2.gz QBKIAPUDTRZDTI-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575019050 951029389 /nfs/dbraw/zinc/02/93/89/951029389.db2.gz QBKIAPUDTRZDTI-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnc2n1CCCCC2 ZINC001575019868 951049122 /nfs/dbraw/zinc/04/91/22/951049122.db2.gz WAFOGFKGYIYEDY-NSHDSACASA-N -1 3 384.448 0.421 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575024192 951096398 /nfs/dbraw/zinc/09/63/98/951096398.db2.gz XOWJNDINXDCSLC-VIFPVBQESA-N -1 3 386.441 0.900 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575024192 951096414 /nfs/dbraw/zinc/09/64/14/951096414.db2.gz XOWJNDINXDCSLC-VIFPVBQESA-N -1 3 386.441 0.900 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575024475 951103826 /nfs/dbraw/zinc/10/38/26/951103826.db2.gz FLUXLMUAXKOIRA-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575024475 951103834 /nfs/dbraw/zinc/10/38/34/951103834.db2.gz FLUXLMUAXKOIRA-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(c1)COC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575024448 951104506 /nfs/dbraw/zinc/10/45/06/951104506.db2.gz DYCZIGNZCGCGCU-SNVBAGLBSA-N -1 3 381.396 0.773 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(c1)COC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575024448 951104516 /nfs/dbraw/zinc/10/45/16/951104516.db2.gz DYCZIGNZCGCGCU-SNVBAGLBSA-N -1 3 381.396 0.773 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nnnn2c1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575026734 951145214 /nfs/dbraw/zinc/14/52/14/951145214.db2.gz MSPXHMPWQJPNHI-JTQLQIEISA-N -1 3 379.388 0.177 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nnnn2c1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575026734 951145220 /nfs/dbraw/zinc/14/52/20/951145220.db2.gz MSPXHMPWQJPNHI-JTQLQIEISA-N -1 3 379.388 0.177 20 0 GCADHM C[C@H](CNC(=O)c1cccc(=O)n1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575026935 951150633 /nfs/dbraw/zinc/15/06/33/951150633.db2.gz OMXMEFLHMYVRLS-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cccc(=O)n1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575026935 951150635 /nfs/dbraw/zinc/15/06/35/951150635.db2.gz OMXMEFLHMYVRLS-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cccc(=O)n1C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575027127 951152335 /nfs/dbraw/zinc/15/23/35/951152335.db2.gz PRNCMPJZJQPDPX-LLVKDONJSA-N -1 3 385.403 0.959 20 0 GCADHM C[C@H](CNC(=O)c1cccc(=O)n1C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575027127 951152341 /nfs/dbraw/zinc/15/23/41/951152341.db2.gz PRNCMPJZJQPDPX-LLVKDONJSA-N -1 3 385.403 0.959 20 0 GCADHM C[C@H](CNC(=O)c1cccc2nccn21)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575028535 951175234 /nfs/dbraw/zinc/17/52/34/951175234.db2.gz NSNIIZQDBMANBS-NSHDSACASA-N -1 3 378.400 0.782 20 0 GCADHM C[C@H](CNC(=O)c1cccc2nccn21)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575029053 951181342 /nfs/dbraw/zinc/18/13/42/951181342.db2.gz RMBZAYVOWBDKDL-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1cccc2nccn21)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575029053 951181350 /nfs/dbraw/zinc/18/13/50/951181350.db2.gz RMBZAYVOWBDKDL-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575029091 951184387 /nfs/dbraw/zinc/18/43/87/951184387.db2.gz ZGWPFHGDRJXTLY-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575029091 951184397 /nfs/dbraw/zinc/18/43/97/951184397.db2.gz ZGWPFHGDRJXTLY-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cccn2ccnc12)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575031531 951195568 /nfs/dbraw/zinc/19/55/68/951195568.db2.gz CGHWLFRSBUZTQW-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1cccn2ccnc12)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575031531 951195574 /nfs/dbraw/zinc/19/55/74/951195574.db2.gz CGHWLFRSBUZTQW-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575031916 951210160 /nfs/dbraw/zinc/21/01/60/951210160.db2.gz MANWMRTXUDPCDX-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575031916 951210166 /nfs/dbraw/zinc/21/01/66/951210166.db2.gz MANWMRTXUDPCDX-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@](CNC(=O)c1cccnn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575032045 951212967 /nfs/dbraw/zinc/21/29/67/951212967.db2.gz OYSNRTVWCUVHAE-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cccnn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575032045 951212980 /nfs/dbraw/zinc/21/29/80/951212980.db2.gz OYSNRTVWCUVHAE-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)CNc1ncccc1-c1nnn[n-]1 ZINC001575032200 951218805 /nfs/dbraw/zinc/21/88/05/951218805.db2.gz TUNJBTHNURYETR-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)CNc1ncccc1-c1nn[n-]n1 ZINC001575032200 951218814 /nfs/dbraw/zinc/21/88/14/951218814.db2.gz TUNJBTHNURYETR-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@](CNC(=O)c1cccnn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575032180 951218991 /nfs/dbraw/zinc/21/89/91/951218991.db2.gz SNOSVZZKVMRBAS-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cccnn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575032180 951219002 /nfs/dbraw/zinc/21/90/02/951219002.db2.gz SNOSVZZKVMRBAS-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575032150 951219629 /nfs/dbraw/zinc/21/96/29/951219629.db2.gz SAHXWCZPEYTIFD-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575032150 951219634 /nfs/dbraw/zinc/21/96/34/951219634.db2.gz SAHXWCZPEYTIFD-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@](CNC(=O)c1cccnc1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575032337 951224462 /nfs/dbraw/zinc/22/44/62/951224462.db2.gz XGZMZBOIDJWAGO-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1cccnc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575032337 951224479 /nfs/dbraw/zinc/22/44/79/951224479.db2.gz XGZMZBOIDJWAGO-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575032553 951227472 /nfs/dbraw/zinc/22/74/72/951227472.db2.gz ZWAOXRFORJLLRF-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575032553 951227480 /nfs/dbraw/zinc/22/74/80/951227480.db2.gz ZWAOXRFORJLLRF-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575034026 951237178 /nfs/dbraw/zinc/23/71/78/951237178.db2.gz HKYIZBBHBLVMMN-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575034026 951237184 /nfs/dbraw/zinc/23/71/84/951237184.db2.gz HKYIZBBHBLVMMN-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575034432 951248712 /nfs/dbraw/zinc/24/87/12/951248712.db2.gz BKYWWNBKPOGNBE-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575034432 951248726 /nfs/dbraw/zinc/24/87/26/951248726.db2.gz BKYWWNBKPOGNBE-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575035815 951283234 /nfs/dbraw/zinc/28/32/34/951283234.db2.gz MCUKCXBMSILVLZ-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575035815 951283247 /nfs/dbraw/zinc/28/32/47/951283247.db2.gz MCUKCXBMSILVLZ-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575035820 951286033 /nfs/dbraw/zinc/28/60/33/951286033.db2.gz MGXYGHOFMTVLCI-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575035820 951286051 /nfs/dbraw/zinc/28/60/51/951286051.db2.gz MGXYGHOFMTVLCI-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575036681 951298469 /nfs/dbraw/zinc/29/84/69/951298469.db2.gz VWIWYJQVCAFARQ-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575036681 951298483 /nfs/dbraw/zinc/29/84/83/951298483.db2.gz VWIWYJQVCAFARQ-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575036693 951299524 /nfs/dbraw/zinc/29/95/24/951299524.db2.gz WAOZNOFIVFPDMY-VIFPVBQESA-N -1 3 377.359 0.954 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575036693 951299530 /nfs/dbraw/zinc/29/95/30/951299530.db2.gz WAOZNOFIVFPDMY-VIFPVBQESA-N -1 3 377.359 0.954 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001575036875 951300781 /nfs/dbraw/zinc/30/07/81/951300781.db2.gz YGSGJWFMQVEMRE-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001575036875 951300787 /nfs/dbraw/zinc/30/07/87/951300787.db2.gz YGSGJWFMQVEMRE-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575037612 951308133 /nfs/dbraw/zinc/30/81/33/951308133.db2.gz BNXUXJGNRRUADM-VIFPVBQESA-N -1 3 388.411 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575037612 951308149 /nfs/dbraw/zinc/30/81/49/951308149.db2.gz BNXUXJGNRRUADM-VIFPVBQESA-N -1 3 388.411 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ncccc1-c1nnn[n-]1 ZINC001575037904 951311777 /nfs/dbraw/zinc/31/17/77/951311777.db2.gz FLCYFFCUZFDSFM-JTQLQIEISA-N -1 3 384.400 0.361 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ncccc1-c1nn[n-]n1 ZINC001575037904 951311788 /nfs/dbraw/zinc/31/17/88/951311788.db2.gz FLCYFFCUZFDSFM-JTQLQIEISA-N -1 3 384.400 0.361 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001575040631 951345193 /nfs/dbraw/zinc/34/51/93/951345193.db2.gz ZYEJOKVWAOLETD-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001575040631 951345205 /nfs/dbraw/zinc/34/52/05/951345205.db2.gz ZYEJOKVWAOLETD-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575041751 951348266 /nfs/dbraw/zinc/34/82/66/951348266.db2.gz BFUDTXUMXFWYNY-QMMMGPOBSA-N -1 3 391.823 0.609 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575043069 951380972 /nfs/dbraw/zinc/38/09/72/951380972.db2.gz NZMLOSFMMZITOT-NSHDSACASA-N -1 3 382.432 0.833 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575043069 951380984 /nfs/dbraw/zinc/38/09/84/951380984.db2.gz NZMLOSFMMZITOT-NSHDSACASA-N -1 3 382.432 0.833 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575043240 951383901 /nfs/dbraw/zinc/38/39/01/951383901.db2.gz HDOHROJFCWCPKL-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575043240 951383912 /nfs/dbraw/zinc/38/39/12/951383912.db2.gz HDOHROJFCWCPKL-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575043529 951396841 /nfs/dbraw/zinc/39/68/41/951396841.db2.gz SXRNPLMYJNWQLH-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575043529 951396852 /nfs/dbraw/zinc/39/68/52/951396852.db2.gz SXRNPLMYJNWQLH-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575044805 951418695 /nfs/dbraw/zinc/41/86/95/951418695.db2.gz VIRPEILKJHDJRQ-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575044805 951418704 /nfs/dbraw/zinc/41/87/04/951418704.db2.gz VIRPEILKJHDJRQ-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575044922 951420873 /nfs/dbraw/zinc/42/08/73/951420873.db2.gz XORBJLNHWGDCEL-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575044922 951420879 /nfs/dbraw/zinc/42/08/79/951420879.db2.gz XORBJLNHWGDCEL-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](CNC(=O)c1cncc2ncn(C)c21)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575045349 951425047 /nfs/dbraw/zinc/42/50/47/951425047.db2.gz AFAXOHHIWGAWAJ-SNVBAGLBSA-N -1 3 378.400 0.774 20 0 GCADHM C[C@H](CNC(=O)c1cncc2ncn(C)c21)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575045349 951425054 /nfs/dbraw/zinc/42/50/54/951425054.db2.gz AFAXOHHIWGAWAJ-SNVBAGLBSA-N -1 3 378.400 0.774 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575046036 951437095 /nfs/dbraw/zinc/43/70/95/951437095.db2.gz KUBFMUDBAKJVTG-SNVBAGLBSA-N -1 3 386.391 0.963 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575046036 951437105 /nfs/dbraw/zinc/43/71/05/951437105.db2.gz KUBFMUDBAKJVTG-SNVBAGLBSA-N -1 3 386.391 0.963 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575046979 951450496 /nfs/dbraw/zinc/45/04/96/951450496.db2.gz WLUNMQTXDMGIMI-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575046979 951450500 /nfs/dbraw/zinc/45/05/00/951450500.db2.gz WLUNMQTXDMGIMI-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575047171 951454221 /nfs/dbraw/zinc/45/42/21/951454221.db2.gz YJIBRVIZDCHNGZ-LLVKDONJSA-N -1 3 383.416 0.243 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575047171 951454230 /nfs/dbraw/zinc/45/42/30/951454230.db2.gz YJIBRVIZDCHNGZ-LLVKDONJSA-N -1 3 383.416 0.243 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575052364 951461343 /nfs/dbraw/zinc/46/13/43/951461343.db2.gz HELLDWVGQCQGDW-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575052364 951461350 /nfs/dbraw/zinc/46/13/50/951461350.db2.gz HELLDWVGQCQGDW-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@](CNC(=O)c1cncs1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575052339 951462101 /nfs/dbraw/zinc/46/21/01/951462101.db2.gz GSVSMSUUVDDHQH-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1cncs1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575052339 951462105 /nfs/dbraw/zinc/46/21/05/951462105.db2.gz GSVSMSUUVDDHQH-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)n1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575052452 951464238 /nfs/dbraw/zinc/46/42/38/951464238.db2.gz JPANRBDTKSBINA-QMMMGPOBSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)n1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575052452 951464244 /nfs/dbraw/zinc/46/42/44/951464244.db2.gz JPANRBDTKSBINA-QMMMGPOBSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@H](CNC(=O)c1cnn2ccccc12)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053803 951484131 /nfs/dbraw/zinc/48/41/31/951484131.db2.gz DYJUHOCJKAQKNT-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1cnn2ccccc12)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053803 951484146 /nfs/dbraw/zinc/48/41/46/951484146.db2.gz DYJUHOCJKAQKNT-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575054227 951488900 /nfs/dbraw/zinc/48/89/00/951488900.db2.gz GJLREMAHIZUNRJ-JTQLQIEISA-N -1 3 383.416 0.350 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575054227 951488911 /nfs/dbraw/zinc/48/89/11/951488911.db2.gz GJLREMAHIZUNRJ-JTQLQIEISA-N -1 3 383.416 0.350 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575054561 951493226 /nfs/dbraw/zinc/49/32/26/951493226.db2.gz IQZTXPVLYVCAEV-NSHDSACASA-N -1 3 383.416 0.495 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575054561 951493233 /nfs/dbraw/zinc/49/32/33/951493233.db2.gz IQZTXPVLYVCAEV-NSHDSACASA-N -1 3 383.416 0.495 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575054557 951494554 /nfs/dbraw/zinc/49/45/54/951494554.db2.gz IQZTXPVLYVCAEV-LLVKDONJSA-N -1 3 383.416 0.495 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575054557 951494564 /nfs/dbraw/zinc/49/45/64/951494564.db2.gz IQZTXPVLYVCAEV-LLVKDONJSA-N -1 3 383.416 0.495 20 0 GCADHM C[C@@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575054744 951496803 /nfs/dbraw/zinc/49/68/03/951496803.db2.gz KLDRFVLUCKBEKS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575054744 951496807 /nfs/dbraw/zinc/49/68/07/951496807.db2.gz KLDRFVLUCKBEKS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C(N)=O)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575056907 951522065 /nfs/dbraw/zinc/52/20/65/951522065.db2.gz MCJLZVABERBKEM-ZETCQYMHSA-N -1 3 390.791 0.837 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C(N)=O)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575056907 951522071 /nfs/dbraw/zinc/52/20/71/951522071.db2.gz MCJLZVABERBKEM-ZETCQYMHSA-N -1 3 390.791 0.837 20 0 GCADHM C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575058109 951534652 /nfs/dbraw/zinc/53/46/52/951534652.db2.gz UVVTUSPCETVIBG-VIFPVBQESA-N -1 3 391.413 0.489 20 0 GCADHM C[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575058109 951534656 /nfs/dbraw/zinc/53/46/56/951534656.db2.gz UVVTUSPCETVIBG-VIFPVBQESA-N -1 3 391.413 0.489 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575060618 951542512 /nfs/dbraw/zinc/54/25/12/951542512.db2.gz BISRBFYXCFKGSA-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575060618 951542522 /nfs/dbraw/zinc/54/25/22/951542522.db2.gz BISRBFYXCFKGSA-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575060641 951542847 /nfs/dbraw/zinc/54/28/47/951542847.db2.gz BQLRUBJXIGJVCI-SNVBAGLBSA-N -1 3 382.432 0.737 20 0 GCADHM C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575061274 951554476 /nfs/dbraw/zinc/55/44/76/951554476.db2.gz MJFPFEWIHKTIJP-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575061274 951554482 /nfs/dbraw/zinc/55/44/82/951554482.db2.gz MJFPFEWIHKTIJP-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575061899 951564603 /nfs/dbraw/zinc/56/46/03/951564603.db2.gz QNNNDFZMYROTAA-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575061899 951564612 /nfs/dbraw/zinc/56/46/12/951564612.db2.gz QNNNDFZMYROTAA-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@](CNC(=O)c1cscn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575062428 951569384 /nfs/dbraw/zinc/56/93/84/951569384.db2.gz VXVVFRHNCBQPHX-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1cscn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575062428 951569392 /nfs/dbraw/zinc/56/93/92/951569392.db2.gz VXVVFRHNCBQPHX-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575065383 951584818 /nfs/dbraw/zinc/58/48/18/951584818.db2.gz GOILFIHKENLKSN-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575065383 951584826 /nfs/dbraw/zinc/58/48/26/951584826.db2.gz GOILFIHKENLKSN-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575065734 951587911 /nfs/dbraw/zinc/58/79/11/951587911.db2.gz IEXCMUCOCPCURN-JTQLQIEISA-N -1 3 384.400 0.800 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575065734 951587922 /nfs/dbraw/zinc/58/79/22/951587922.db2.gz IEXCMUCOCPCURN-JTQLQIEISA-N -1 3 384.400 0.800 20 0 GCADHM C[C@](CNC(=O)c1nccs1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575066558 951597792 /nfs/dbraw/zinc/59/77/92/951597792.db2.gz GQQGKDKUXJHFRH-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1nccs1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575066558 951597801 /nfs/dbraw/zinc/59/78/01/951597801.db2.gz GQQGKDKUXJHFRH-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575066985 951603169 /nfs/dbraw/zinc/60/31/69/951603169.db2.gz OICWIRVUQMXXLB-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575066985 951603176 /nfs/dbraw/zinc/60/31/76/951603176.db2.gz OICWIRVUQMXXLB-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575067579 951615904 /nfs/dbraw/zinc/61/59/04/951615904.db2.gz VXBACGMRJBDICF-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575067579 951615911 /nfs/dbraw/zinc/61/59/11/951615911.db2.gz VXBACGMRJBDICF-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ncccc1-c1nnn[n-]1 ZINC001575067641 951618467 /nfs/dbraw/zinc/61/84/67/951618467.db2.gz WVPQEYUIMOBMMW-JTQLQIEISA-N -1 3 385.436 0.481 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ncccc1-c1nn[n-]n1 ZINC001575067641 951618473 /nfs/dbraw/zinc/61/84/73/951618473.db2.gz WVPQEYUIMOBMMW-JTQLQIEISA-N -1 3 385.436 0.481 20 0 GCADHM C[C@](CNC(=O)c1nccs1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575067705 951620638 /nfs/dbraw/zinc/62/06/38/951620638.db2.gz OKEGXEKCXOUQIW-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1nccs1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575067705 951620643 /nfs/dbraw/zinc/62/06/43/951620643.db2.gz OKEGXEKCXOUQIW-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1nccs1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575067704 951620865 /nfs/dbraw/zinc/62/08/65/951620865.db2.gz OKEGXEKCXOUQIW-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1nccs1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575067704 951620869 /nfs/dbraw/zinc/62/08/69/951620869.db2.gz OKEGXEKCXOUQIW-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@H](CNC(=O)c1nccnc1N)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575068108 951632220 /nfs/dbraw/zinc/63/22/20/951632220.db2.gz XSWLYBGAHDGNNO-MRVPVSSYSA-N -1 3 388.823 0.542 20 0 GCADHM C[C@H](CNC(=O)c1nccnc1N)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575068108 951632228 /nfs/dbraw/zinc/63/22/28/951632228.db2.gz XSWLYBGAHDGNNO-MRVPVSSYSA-N -1 3 388.823 0.542 20 0 GCADHM C[C@](CNC(=O)c1ncccn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575068313 951634286 /nfs/dbraw/zinc/63/42/86/951634286.db2.gz ZTLYCNWSRVWLJP-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ncccn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575068313 951634293 /nfs/dbraw/zinc/63/42/93/951634293.db2.gz ZTLYCNWSRVWLJP-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM O=C([O-])CN1CC[C@H](N[C@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC001595079811 951669648 /nfs/dbraw/zinc/66/96/48/951669648.db2.gz TXQCDTCMUIIQTR-WMLDXEAASA-N -1 3 397.269 0.944 20 0 GCADHM C[C@@H](CNCc1nn(C)cc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575116128 951969086 /nfs/dbraw/zinc/96/90/86/951969086.db2.gz AECBNHWVYLRUTQ-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H](CNCc1nn(C)cc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575116128 951969093 /nfs/dbraw/zinc/96/90/93/951969093.db2.gz AECBNHWVYLRUTQ-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNCc1nnsc1Cl)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575116725 951971902 /nfs/dbraw/zinc/97/19/02/951971902.db2.gz GQANYQIQTAXKJK-SSDOTTSWSA-N -1 3 381.853 0.855 20 0 GCADHM C[C@H](CNCc1nnsc1Cl)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575116725 951971909 /nfs/dbraw/zinc/97/19/09/951971909.db2.gz GQANYQIQTAXKJK-SSDOTTSWSA-N -1 3 381.853 0.855 20 0 GCADHM C[C@@H](CNCc1nnn(C(C)(C)C)n1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575119253 951987539 /nfs/dbraw/zinc/98/75/39/951987539.db2.gz VWYKDZVEAFNWIA-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNCc1nnn(C(C)(C)C)n1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575119253 951987543 /nfs/dbraw/zinc/98/75/43/951987543.db2.gz VWYKDZVEAFNWIA-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNCc1ncnn1C(C)(C)C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575119653 951990379 /nfs/dbraw/zinc/99/03/79/951990379.db2.gz ZWJOIQSBEQNQGX-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575121783 951998004 /nfs/dbraw/zinc/99/80/04/951998004.db2.gz HNECDZPZSVJLNI-WCQYABFASA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575121783 951998012 /nfs/dbraw/zinc/99/80/12/951998012.db2.gz HNECDZPZSVJLNI-WCQYABFASA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575122705 952004178 /nfs/dbraw/zinc/00/41/78/952004178.db2.gz MXEZEWWPPNVBLE-SGTLLEGYSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575122705 952004188 /nfs/dbraw/zinc/00/41/88/952004188.db2.gz MXEZEWWPPNVBLE-SGTLLEGYSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575123041 952010332 /nfs/dbraw/zinc/01/03/32/952010332.db2.gz NQSOPYKFOPHWNA-INIZCTEOSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575123041 952010341 /nfs/dbraw/zinc/01/03/41/952010341.db2.gz NQSOPYKFOPHWNA-INIZCTEOSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575124035 952023269 /nfs/dbraw/zinc/02/32/69/952023269.db2.gz FGNVAYKOBAVIJY-ZMZPIMSZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575124035 952023276 /nfs/dbraw/zinc/02/32/76/952023276.db2.gz FGNVAYKOBAVIJY-ZMZPIMSZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575124989 952035686 /nfs/dbraw/zinc/03/56/86/952035686.db2.gz WGNIPUHSLIEOHT-SFHVURJKSA-N -1 3 386.460 0.291 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575124989 952035695 /nfs/dbraw/zinc/03/56/95/952035695.db2.gz WGNIPUHSLIEOHT-SFHVURJKSA-N -1 3 386.460 0.291 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575125161 952040307 /nfs/dbraw/zinc/04/03/07/952040307.db2.gz XVWVWQHJSXTLRI-ACJLOTCBSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575125161 952040315 /nfs/dbraw/zinc/04/03/15/952040315.db2.gz XVWVWQHJSXTLRI-ACJLOTCBSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccnc2ccnn21 ZINC001575127736 952061451 /nfs/dbraw/zinc/06/14/51/952061451.db2.gz CJJNZQUKDQZESJ-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccnc2ccnn21 ZINC001575127736 952061461 /nfs/dbraw/zinc/06/14/61/952061461.db2.gz CJJNZQUKDQZESJ-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575128396 952067552 /nfs/dbraw/zinc/06/75/52/952067552.db2.gz HTWHUADJJUWJLT-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575128396 952067559 /nfs/dbraw/zinc/06/75/59/952067559.db2.gz HTWHUADJJUWJLT-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cnn2ccncc12 ZINC001575128794 952070732 /nfs/dbraw/zinc/07/07/32/952070732.db2.gz MFLWDHKXIATDKA-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cnn2ccncc12 ZINC001575128794 952070735 /nfs/dbraw/zinc/07/07/35/952070735.db2.gz MFLWDHKXIATDKA-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575129662 952083746 /nfs/dbraw/zinc/08/37/46/952083746.db2.gz YGVVLMKKAKQKOG-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575129662 952083758 /nfs/dbraw/zinc/08/37/58/952083758.db2.gz YGVVLMKKAKQKOG-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)COCc1nccn1C ZINC001575129664 952083863 /nfs/dbraw/zinc/08/38/63/952083863.db2.gz YHVMQADNIDOOMQ-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)COCc1nccn1C ZINC001575129664 952083873 /nfs/dbraw/zinc/08/38/73/952083873.db2.gz YHVMQADNIDOOMQ-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575129610 952084589 /nfs/dbraw/zinc/08/45/89/952084589.db2.gz XKDZZDAGMDQGNB-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575129610 952084598 /nfs/dbraw/zinc/08/45/98/952084598.db2.gz XKDZZDAGMDQGNB-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575133356 952104303 /nfs/dbraw/zinc/10/43/03/952104303.db2.gz FGFXRTJXWXYQEK-TVYUQYBPSA-N -1 3 391.407 0.298 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575133356 952104306 /nfs/dbraw/zinc/10/43/06/952104306.db2.gz FGFXRTJXWXYQEK-TVYUQYBPSA-N -1 3 391.407 0.298 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575134130 952109566 /nfs/dbraw/zinc/10/95/66/952109566.db2.gz MITAWMXKYBSREJ-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NCCN2CCCCC2)C1 ZINC001602892477 971804210 /nfs/dbraw/zinc/80/42/10/971804210.db2.gz HFIGTLBWKXZCNF-SFHVURJKSA-N -1 3 385.461 0.679 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575135724 952118622 /nfs/dbraw/zinc/11/86/22/952118622.db2.gz NCFATJUYVDVBDT-MRXNPFEDSA-N -1 3 386.395 0.389 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)Cn1ncnn1)C1CC1 ZINC001575135724 952118629 /nfs/dbraw/zinc/11/86/29/952118629.db2.gz NCFATJUYVDVBDT-MRXNPFEDSA-N -1 3 386.395 0.389 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575137086 952133826 /nfs/dbraw/zinc/13/38/26/952133826.db2.gz TZTIOBDZZIYEHN-ZWNOBZJWSA-N -1 3 375.408 0.885 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575137086 952133831 /nfs/dbraw/zinc/13/38/31/952133831.db2.gz TZTIOBDZZIYEHN-ZWNOBZJWSA-N -1 3 375.408 0.885 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575137293 952136473 /nfs/dbraw/zinc/13/64/73/952136473.db2.gz WESLMNDETKJSDY-INIZCTEOSA-N -1 3 386.395 0.389 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575137293 952136477 /nfs/dbraw/zinc/13/64/77/952136477.db2.gz WESLMNDETKJSDY-INIZCTEOSA-N -1 3 386.395 0.389 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575137400 952138500 /nfs/dbraw/zinc/13/85/00/952138500.db2.gz XYORLNOFPAZMHB-SJCJKPOMSA-N -1 3 388.407 0.384 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575137400 952138505 /nfs/dbraw/zinc/13/85/05/952138505.db2.gz XYORLNOFPAZMHB-SJCJKPOMSA-N -1 3 388.407 0.384 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575137420 952138635 /nfs/dbraw/zinc/13/86/35/952138635.db2.gz YPNBFWUTRIHURL-WDEREUQCSA-N -1 3 375.408 0.743 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575137420 952138641 /nfs/dbraw/zinc/13/86/41/952138641.db2.gz YPNBFWUTRIHURL-WDEREUQCSA-N -1 3 375.408 0.743 20 0 GCADHM O=C([O-])Cn1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1=O ZINC001595153967 952154006 /nfs/dbraw/zinc/15/40/06/952154006.db2.gz BSEBBJBBPDZRAM-SJLPKXTDSA-N -1 3 399.447 0.546 20 0 GCADHM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC001595169122 952217026 /nfs/dbraw/zinc/21/70/26/952217026.db2.gz BRFAEIRUQPZQCC-HOTGVXAUSA-N -1 3 383.470 0.137 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575154174 952218428 /nfs/dbraw/zinc/21/84/28/952218428.db2.gz PNJIDGYBONOFFE-WDEREUQCSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575163720 952281415 /nfs/dbraw/zinc/28/14/15/952281415.db2.gz FCJPKCXIEBVZIC-WDEREUQCSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575163720 952281420 /nfs/dbraw/zinc/28/14/20/952281420.db2.gz FCJPKCXIEBVZIC-WDEREUQCSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575164428 952293351 /nfs/dbraw/zinc/29/33/51/952293351.db2.gz KTVZEZGTBOQLNR-MRXNPFEDSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575164428 952293360 /nfs/dbraw/zinc/29/33/60/952293360.db2.gz KTVZEZGTBOQLNR-MRXNPFEDSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575165060 952302908 /nfs/dbraw/zinc/30/29/08/952302908.db2.gz KDGRILHFHOPCDX-CXAGYDPISA-N -1 3 391.407 0.513 20 0 GCADHM C[C@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575165060 952302912 /nfs/dbraw/zinc/30/29/12/952302912.db2.gz KDGRILHFHOPCDX-CXAGYDPISA-N -1 3 391.407 0.513 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1COCCO1 ZINC001575165021 952303355 /nfs/dbraw/zinc/30/33/55/952303355.db2.gz JOPCOCRKQIERDG-BXKDBHETSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1COCCO1 ZINC001575165021 952303362 /nfs/dbraw/zinc/30/33/62/952303362.db2.gz JOPCOCRKQIERDG-BXKDBHETSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575165357 952307631 /nfs/dbraw/zinc/30/76/31/952307631.db2.gz NWVCWSHIPMXYTH-KCJUWKMLSA-N -1 3 378.824 0.453 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575165357 952307638 /nfs/dbraw/zinc/30/76/38/952307638.db2.gz NWVCWSHIPMXYTH-KCJUWKMLSA-N -1 3 378.824 0.453 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001575165590 952311516 /nfs/dbraw/zinc/31/15/16/952311516.db2.gz PXLWOVXXVJJHPR-QMMMGPOBSA-N -1 3 391.823 0.927 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575165640 952311548 /nfs/dbraw/zinc/31/15/48/952311548.db2.gz UQJGHFYVSXXXNS-VOJFVSQTSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575165640 952311555 /nfs/dbraw/zinc/31/15/55/952311555.db2.gz UQJGHFYVSXXXNS-VOJFVSQTSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575165642 952312418 /nfs/dbraw/zinc/31/24/18/952312418.db2.gz UQJGHFYVSXXXNS-ZMZPIMSZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575165642 952312429 /nfs/dbraw/zinc/31/24/29/952312429.db2.gz UQJGHFYVSXXXNS-ZMZPIMSZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575165689 952313375 /nfs/dbraw/zinc/31/33/75/952313375.db2.gz VCBFQOPHZGHYSV-ZJUUUORDSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575165689 952313382 /nfs/dbraw/zinc/31/33/82/952313382.db2.gz VCBFQOPHZGHYSV-ZJUUUORDSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575165695 952313810 /nfs/dbraw/zinc/31/38/10/952313810.db2.gz VDJYNCFAOZASBN-SECBINFHSA-N -1 3 387.379 0.067 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575165695 952313819 /nfs/dbraw/zinc/31/38/19/952313819.db2.gz VDJYNCFAOZASBN-SECBINFHSA-N -1 3 387.379 0.067 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575165994 952318552 /nfs/dbraw/zinc/31/85/52/952318552.db2.gz XXAMZVKQHKTHBR-UGSOOPFHSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575165994 952318559 /nfs/dbraw/zinc/31/85/59/952318559.db2.gz XXAMZVKQHKTHBR-UGSOOPFHSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575166124 952320110 /nfs/dbraw/zinc/32/01/10/952320110.db2.gz YPVHHUWKYYWXJU-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575166124 952320119 /nfs/dbraw/zinc/32/01/19/952320119.db2.gz YPVHHUWKYYWXJU-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575166175 952322152 /nfs/dbraw/zinc/32/21/52/952322152.db2.gz YXGUBUXPKYKYOK-GOSISDBHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575166175 952322160 /nfs/dbraw/zinc/32/21/60/952322160.db2.gz YXGUBUXPKYKYOK-GOSISDBHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575166467 952326591 /nfs/dbraw/zinc/32/65/91/952326591.db2.gz WKJCKGGHYRUJKB-UWVGGRQHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575166467 952326597 /nfs/dbraw/zinc/32/65/97/952326597.db2.gz WKJCKGGHYRUJKB-UWVGGRQHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575166980 952331344 /nfs/dbraw/zinc/33/13/44/952331344.db2.gz BMBPUUOLTSJBBJ-GHMZBOCLSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575166980 952331351 /nfs/dbraw/zinc/33/13/51/952331351.db2.gz BMBPUUOLTSJBBJ-GHMZBOCLSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575168355 952342285 /nfs/dbraw/zinc/34/22/85/952342285.db2.gz LZTSHZBQHBDXSF-PWSUYJOCSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575168355 952342293 /nfs/dbraw/zinc/34/22/93/952342293.db2.gz LZTSHZBQHBDXSF-PWSUYJOCSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575169338 952348131 /nfs/dbraw/zinc/34/81/31/952348131.db2.gz RAYXIMASYQRFMI-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575169338 952348138 /nfs/dbraw/zinc/34/81/38/952348138.db2.gz RAYXIMASYQRFMI-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575170057 952352997 /nfs/dbraw/zinc/35/29/97/952352997.db2.gz WDRSAWNFBBZIJE-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575170057 952353005 /nfs/dbraw/zinc/35/30/05/952353005.db2.gz WDRSAWNFBBZIJE-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1nnc[nH]1 ZINC001575174646 952377301 /nfs/dbraw/zinc/37/73/01/952377301.db2.gz BOZGJURPSXUVOI-LURJTMIESA-N -1 3 382.841 0.596 20 0 GCADHM CC(CO)(CO)CNC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001575178211 952405434 /nfs/dbraw/zinc/40/54/34/952405434.db2.gz ODAOWFLQIPDTSH-UHFFFAOYSA-N -1 3 386.416 0.224 20 0 GCADHM CC(CO)(CO)CNC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001575178211 952405437 /nfs/dbraw/zinc/40/54/37/952405437.db2.gz ODAOWFLQIPDTSH-UHFFFAOYSA-N -1 3 386.416 0.224 20 0 GCADHM CC(CO)(CO)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001575179460 952411262 /nfs/dbraw/zinc/41/12/62/952411262.db2.gz UBHMKCGTQSCOHY-UHFFFAOYSA-N -1 3 385.384 0.919 20 0 GCADHM CC(CO)(CO)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001575179460 952411268 /nfs/dbraw/zinc/41/12/68/952411268.db2.gz UBHMKCGTQSCOHY-UHFFFAOYSA-N -1 3 385.384 0.919 20 0 GCADHM C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001575184752 952422880 /nfs/dbraw/zinc/42/28/80/952422880.db2.gz BLVLPQNGLLFIMH-ZCAPAMDOSA-N -1 3 377.879 0.908 20 0 GCADHM C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001575184752 952422883 /nfs/dbraw/zinc/42/28/83/952422883.db2.gz BLVLPQNGLLFIMH-ZCAPAMDOSA-N -1 3 377.879 0.908 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575184961 952426649 /nfs/dbraw/zinc/42/66/49/952426649.db2.gz IDPWXNIBXRVDLU-DOMZBBRYSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575184961 952426652 /nfs/dbraw/zinc/42/66/52/952426652.db2.gz IDPWXNIBXRVDLU-DOMZBBRYSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575184964 952426776 /nfs/dbraw/zinc/42/67/76/952426776.db2.gz IDPWXNIBXRVDLU-WFASDCNBSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575184964 952426780 /nfs/dbraw/zinc/42/67/80/952426780.db2.gz IDPWXNIBXRVDLU-WFASDCNBSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001575185125 952429205 /nfs/dbraw/zinc/42/92/05/952429205.db2.gz LLPLIXLGWZIZNM-LLVKDONJSA-N -1 3 394.457 0.525 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001575185125 952429209 /nfs/dbraw/zinc/42/92/09/952429209.db2.gz LLPLIXLGWZIZNM-LLVKDONJSA-N -1 3 394.457 0.525 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575185954 952436157 /nfs/dbraw/zinc/43/61/57/952436157.db2.gz WZYYXSPZPSALMP-LBPRGKRZSA-N -1 3 380.474 0.095 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575185954 952436160 /nfs/dbraw/zinc/43/61/60/952436160.db2.gz WZYYXSPZPSALMP-LBPRGKRZSA-N -1 3 380.474 0.095 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575185963 952436869 /nfs/dbraw/zinc/43/68/69/952436869.db2.gz XARPLDRCOCTXRD-SWLSCSKDSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575185963 952436873 /nfs/dbraw/zinc/43/68/73/952436873.db2.gz XARPLDRCOCTXRD-SWLSCSKDSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 ZINC001575187605 952441975 /nfs/dbraw/zinc/44/19/75/952441975.db2.gz DIYWBJGGWZSMAT-OSAQELSMSA-N -1 3 392.485 0.619 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 ZINC001575187605 952441979 /nfs/dbraw/zinc/44/19/79/952441979.db2.gz DIYWBJGGWZSMAT-OSAQELSMSA-N -1 3 392.485 0.619 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575187546 952442356 /nfs/dbraw/zinc/44/23/56/952442356.db2.gz CVEKVUBUFDDCCC-NSHDSACASA-N -1 3 383.412 0.949 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575187546 952442360 /nfs/dbraw/zinc/44/23/60/952442360.db2.gz CVEKVUBUFDDCCC-NSHDSACASA-N -1 3 383.412 0.949 20 0 GCADHM O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)c1csc(=O)[nH]1 ZINC001571114489 952455474 /nfs/dbraw/zinc/45/54/74/952455474.db2.gz IWNZACZUSPAQMB-UHFFFAOYSA-N -1 3 375.389 0.782 20 0 GCADHM C[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001571114543 952455707 /nfs/dbraw/zinc/45/57/07/952455707.db2.gz KMJDIXBJJMVHEK-IEBDPFPHSA-N -1 3 375.364 0.055 20 0 GCADHM C[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001571114543 952455709 /nfs/dbraw/zinc/45/57/09/952455709.db2.gz KMJDIXBJJMVHEK-IEBDPFPHSA-N -1 3 375.364 0.055 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575189784 952458731 /nfs/dbraw/zinc/45/87/31/952458731.db2.gz QJARYHWBNQIFRK-LLVKDONJSA-N -1 3 383.412 0.949 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575189784 952458735 /nfs/dbraw/zinc/45/87/35/952458735.db2.gz QJARYHWBNQIFRK-LLVKDONJSA-N -1 3 383.412 0.949 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575190630 952464120 /nfs/dbraw/zinc/46/41/20/952464120.db2.gz UZONYPISTGXZSU-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575190630 952464125 /nfs/dbraw/zinc/46/41/25/952464125.db2.gz UZONYPISTGXZSU-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575195886 952473457 /nfs/dbraw/zinc/47/34/57/952473457.db2.gz CQJFZNGCTLNPLP-VXGBXAGGSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575195886 952473460 /nfs/dbraw/zinc/47/34/60/952473460.db2.gz CQJFZNGCTLNPLP-VXGBXAGGSA-N -1 3 383.412 0.997 20 0 GCADHM CO[C@@H](C)C(=O)N1CCCO[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571117106 952479327 /nfs/dbraw/zinc/47/93/27/952479327.db2.gz GVIQZOHRQDYIIP-QWHCGFSZSA-N -1 3 375.433 0.634 20 0 GCADHM CO[C@@H](C)C(=O)N1CCCO[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571117106 952479331 /nfs/dbraw/zinc/47/93/31/952479331.db2.gz GVIQZOHRQDYIIP-QWHCGFSZSA-N -1 3 375.433 0.634 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571117121 952479757 /nfs/dbraw/zinc/47/97/57/952479757.db2.gz GXOGROLAWVPXJY-LERXQTSPSA-N -1 3 375.408 0.862 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571117121 952479760 /nfs/dbraw/zinc/47/97/60/952479760.db2.gz GXOGROLAWVPXJY-LERXQTSPSA-N -1 3 375.408 0.862 20 0 GCADHM O=C(Nc1sccc1-c1nnn[n-]1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001571117126 952479797 /nfs/dbraw/zinc/47/97/97/952479797.db2.gz GZBCFVWNUMQSBJ-SNVBAGLBSA-N -1 3 375.418 0.881 20 0 GCADHM O=C(Nc1sccc1-c1nn[n-]n1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC001571117126 952479798 /nfs/dbraw/zinc/47/97/98/952479798.db2.gz GZBCFVWNUMQSBJ-SNVBAGLBSA-N -1 3 375.418 0.881 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001571117184 952480433 /nfs/dbraw/zinc/48/04/33/952480433.db2.gz ICXXFKZOCWQPJF-SECBINFHSA-N -1 3 375.414 0.579 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001571117184 952480435 /nfs/dbraw/zinc/48/04/35/952480435.db2.gz ICXXFKZOCWQPJF-SECBINFHSA-N -1 3 375.414 0.579 20 0 GCADHM Cc1nsc(N2CCC(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2)c1-c1nnn[n-]1 ZINC001571117348 952480751 /nfs/dbraw/zinc/48/07/51/952480751.db2.gz JTIWOJWLWMAAGS-PJXYFTJBSA-N -1 3 375.458 0.609 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571117556 952483241 /nfs/dbraw/zinc/48/32/41/952483241.db2.gz MZHPBHIYEGZQEO-QWRGUYRKSA-N -1 3 375.458 0.287 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571117551 952483590 /nfs/dbraw/zinc/48/35/90/952483590.db2.gz MZHPBHIYEGZQEO-MNOVXSKESA-N -1 3 375.458 0.287 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575197572 952484426 /nfs/dbraw/zinc/48/44/26/952484426.db2.gz WYRLACUHSFAPRV-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575197572 952484430 /nfs/dbraw/zinc/48/44/30/952484430.db2.gz WYRLACUHSFAPRV-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575197400 952484578 /nfs/dbraw/zinc/48/45/78/952484578.db2.gz VJMNLHVPADYDDX-NWDGAFQWSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575197400 952484582 /nfs/dbraw/zinc/48/45/82/952484582.db2.gz VJMNLHVPADYDDX-NWDGAFQWSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575197412 952485074 /nfs/dbraw/zinc/48/50/74/952485074.db2.gz VNRSMGVQZKPGRT-NILFDRSVSA-N -1 3 383.412 0.399 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575197412 952485078 /nfs/dbraw/zinc/48/50/78/952485078.db2.gz VNRSMGVQZKPGRT-NILFDRSVSA-N -1 3 383.412 0.399 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575197652 952485386 /nfs/dbraw/zinc/48/53/86/952485386.db2.gz YIOPJLCCAOMQPI-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575197652 952485390 /nfs/dbraw/zinc/48/53/90/952485390.db2.gz YIOPJLCCAOMQPI-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM CSCC(=O)N1CC[C@]2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCC[C@H]12 ZINC001571117963 952485509 /nfs/dbraw/zinc/48/55/09/952485509.db2.gz RGWSJGUGAQBYHF-BLLLJJGKSA-N -1 3 375.458 0.811 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575197650 952485541 /nfs/dbraw/zinc/48/55/41/952485541.db2.gz YIOPJLCCAOMQPI-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575197650 952485545 /nfs/dbraw/zinc/48/55/45/952485545.db2.gz YIOPJLCCAOMQPI-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM CSCC(=O)N1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC[C@H]12 ZINC001571117963 952485512 /nfs/dbraw/zinc/48/55/12/952485512.db2.gz RGWSJGUGAQBYHF-BLLLJJGKSA-N -1 3 375.458 0.811 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575199150 952487419 /nfs/dbraw/zinc/48/74/19/952487419.db2.gz AHAVLHNIYVCFGR-GXTWGEPZSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575199150 952487422 /nfs/dbraw/zinc/48/74/22/952487422.db2.gz AHAVLHNIYVCFGR-GXTWGEPZSA-N -1 3 381.444 0.569 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001571118674 952489177 /nfs/dbraw/zinc/48/91/77/952489177.db2.gz YJMYAXQTKCFSRJ-MBNYWOFBSA-N -1 3 375.408 0.312 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001571118674 952489181 /nfs/dbraw/zinc/48/91/81/952489181.db2.gz YJMYAXQTKCFSRJ-MBNYWOFBSA-N -1 3 375.408 0.312 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571118640 952489513 /nfs/dbraw/zinc/48/95/13/952489513.db2.gz XXXJADDCXHXFAL-NQBHXWOUSA-N -1 3 375.408 0.944 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571118640 952489518 /nfs/dbraw/zinc/48/95/18/952489518.db2.gz XXXJADDCXHXFAL-NQBHXWOUSA-N -1 3 375.408 0.944 20 0 GCADHM CN(C[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1)c1ncccc1-c1nnn[n-]1 ZINC001571118705 952489813 /nfs/dbraw/zinc/48/98/13/952489813.db2.gz YYLFEEYUOSIUNB-PXAZEXFGSA-N -1 3 375.408 0.675 20 0 GCADHM CN(C[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1)c1ncccc1-c1nn[n-]n1 ZINC001571118705 952489816 /nfs/dbraw/zinc/48/98/16/952489816.db2.gz YYLFEEYUOSIUNB-PXAZEXFGSA-N -1 3 375.408 0.675 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC001575199720 952490200 /nfs/dbraw/zinc/49/02/00/952490200.db2.gz FAEFLROAABLQMV-ZDUSSCGKSA-N -1 3 383.460 0.769 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC001575199720 952490204 /nfs/dbraw/zinc/49/02/04/952490204.db2.gz FAEFLROAABLQMV-ZDUSSCGKSA-N -1 3 383.460 0.769 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575199752 952490732 /nfs/dbraw/zinc/49/07/32/952490732.db2.gz FEPFOKWRWFIXSI-YPMHNXCESA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575199752 952490736 /nfs/dbraw/zinc/49/07/36/952490736.db2.gz FEPFOKWRWFIXSI-YPMHNXCESA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200045 952492723 /nfs/dbraw/zinc/49/27/23/952492723.db2.gz GZWMLWIAQIEFGL-VXGBXAGGSA-N -1 3 382.432 0.201 20 0 GCADHM COC(=O)[C@@]1(OC)CCN(C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001571119539 952492987 /nfs/dbraw/zinc/49/29/87/952492987.db2.gz CFQQULAAAKMOJZ-MRXNPFEDSA-N -1 3 376.373 0.671 20 0 GCADHM COC(=O)[C@@]1(OC)CCN(C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001571119539 952492990 /nfs/dbraw/zinc/49/29/90/952492990.db2.gz CFQQULAAAKMOJZ-MRXNPFEDSA-N -1 3 376.373 0.671 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200872 952499081 /nfs/dbraw/zinc/49/90/81/952499081.db2.gz MFYPDBLWFAXFHQ-IJLUTSLNSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200749 952499230 /nfs/dbraw/zinc/49/92/30/952499230.db2.gz LHAQRMITHHOPPS-RYUDHWBXSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200749 952499234 /nfs/dbraw/zinc/49/92/34/952499234.db2.gz LHAQRMITHHOPPS-RYUDHWBXSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575200870 952499719 /nfs/dbraw/zinc/49/97/19/952499719.db2.gz LZOHGNULUREJRL-DOMZBBRYSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575200870 952499722 /nfs/dbraw/zinc/49/97/22/952499722.db2.gz LZOHGNULUREJRL-DOMZBBRYSA-N -1 3 381.444 0.887 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)n2C)nc1 ZINC001571120347 952502656 /nfs/dbraw/zinc/50/26/56/952502656.db2.gz LGIVCLSBPDGVNC-UHFFFAOYSA-N -1 3 376.402 0.103 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)n2C)nc1 ZINC001571120347 952502662 /nfs/dbraw/zinc/50/26/62/952502662.db2.gz LGIVCLSBPDGVNC-UHFFFAOYSA-N -1 3 376.402 0.103 20 0 GCADHM O=C([C@@H]1CCOC1)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571120482 952505843 /nfs/dbraw/zinc/50/58/43/952505843.db2.gz MARSISSNVFISBN-USWWRNFRSA-N -1 3 375.820 0.741 20 0 GCADHM O=C([C@@H]1CCOC1)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571120482 952505854 /nfs/dbraw/zinc/50/58/54/952505854.db2.gz MARSISSNVFISBN-USWWRNFRSA-N -1 3 375.820 0.741 20 0 GCADHM CCN(C)C(=O)[C@@H](NC(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1)C(C)C ZINC001571120652 952506859 /nfs/dbraw/zinc/50/68/59/952506859.db2.gz OVCHCVUNXYWOAZ-LBPRGKRZSA-N -1 3 376.421 0.895 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575202103 952510756 /nfs/dbraw/zinc/51/07/56/952510756.db2.gz NMTDWBRQGBPSOR-NQBHXWOUSA-N -1 3 382.432 0.517 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575202103 952510762 /nfs/dbraw/zinc/51/07/62/952510762.db2.gz NMTDWBRQGBPSOR-NQBHXWOUSA-N -1 3 382.432 0.517 20 0 GCADHM Cc1ccoc1CNC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571120896 952511611 /nfs/dbraw/zinc/51/16/11/952511611.db2.gz SSCIEDPFXDCKEC-UHFFFAOYSA-N -1 3 376.398 0.363 20 0 GCADHM Cc1ccoc1CNC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571120896 952511617 /nfs/dbraw/zinc/51/16/17/952511617.db2.gz SSCIEDPFXDCKEC-UHFFFAOYSA-N -1 3 376.398 0.363 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575202224 952512273 /nfs/dbraw/zinc/51/22/73/952512273.db2.gz UNHXNPSLGSEUBQ-SRVKXCTJSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575202224 952512275 /nfs/dbraw/zinc/51/22/75/952512275.db2.gz UNHXNPSLGSEUBQ-SRVKXCTJSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575202344 952513595 /nfs/dbraw/zinc/51/35/95/952513595.db2.gz VSGZTVDLXYOEHG-GTNSWQLSSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575202344 952513599 /nfs/dbraw/zinc/51/35/99/952513599.db2.gz VSGZTVDLXYOEHG-GTNSWQLSSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)CCCN(C)c1nccnc1-c1nnn[n-]1 ZINC001575203256 952519409 /nfs/dbraw/zinc/51/94/09/952519409.db2.gz SEGOKIKNIYPJAD-GFCCVEGCSA-N -1 3 384.448 0.543 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)CCCN(C)c1nccnc1-c1nn[n-]n1 ZINC001575203256 952519414 /nfs/dbraw/zinc/51/94/14/952519414.db2.gz SEGOKIKNIYPJAD-GFCCVEGCSA-N -1 3 384.448 0.543 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575203477 952522605 /nfs/dbraw/zinc/52/26/05/952522605.db2.gz YDCGELGCQVOVSU-GXFFZTMASA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575203477 952522607 /nfs/dbraw/zinc/52/26/07/952522607.db2.gz YDCGELGCQVOVSU-GXFFZTMASA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575203539 952524125 /nfs/dbraw/zinc/52/41/25/952524125.db2.gz ZNEKAKXIBIHECN-MISXGVKJSA-N -1 3 382.432 0.517 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001575203489 952524232 /nfs/dbraw/zinc/52/42/32/952524232.db2.gz YMLLGCKYTFEDDC-DGCLKSJQSA-N -1 3 382.432 0.296 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001575203489 952524234 /nfs/dbraw/zinc/52/42/34/952524234.db2.gz YMLLGCKYTFEDDC-DGCLKSJQSA-N -1 3 382.432 0.296 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575206211 952527937 /nfs/dbraw/zinc/52/79/37/952527937.db2.gz IHMZFIPIDJOSGY-MRXNPFEDSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575206211 952527942 /nfs/dbraw/zinc/52/79/42/952527942.db2.gz IHMZFIPIDJOSGY-MRXNPFEDSA-N -1 3 379.371 0.915 20 0 GCADHM C[C@@](Cn1cccn1)(NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(N)=O ZINC001575206725 952530298 /nfs/dbraw/zinc/53/02/98/952530298.db2.gz LNESJFQVZAOPHX-HNNXBMFYSA-N -1 3 376.327 0.015 20 0 GCADHM C[C@@](Cn1cccn1)(NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(N)=O ZINC001575206725 952530301 /nfs/dbraw/zinc/53/03/01/952530301.db2.gz LNESJFQVZAOPHX-HNNXBMFYSA-N -1 3 376.327 0.015 20 0 GCADHM Cc1nsc(N[C@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571123477 952531027 /nfs/dbraw/zinc/53/10/27/952531027.db2.gz SJINVLBUGGHQLW-ZJUUUORDSA-N -1 3 376.446 0.171 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cc(Cl)no1 ZINC001571123850 952532306 /nfs/dbraw/zinc/53/23/06/952532306.db2.gz WSOGCDIUDVGDCO-SSDOTTSWSA-N -1 3 376.764 0.481 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cc(Cl)no1 ZINC001571123850 952532311 /nfs/dbraw/zinc/53/23/11/952532311.db2.gz WSOGCDIUDVGDCO-SSDOTTSWSA-N -1 3 376.764 0.481 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575207556 952533860 /nfs/dbraw/zinc/53/38/60/952533860.db2.gz RDLZFCUUWFTKHW-LLVKDONJSA-N -1 3 387.423 0.566 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575207556 952533865 /nfs/dbraw/zinc/53/38/65/952533865.db2.gz RDLZFCUUWFTKHW-LLVKDONJSA-N -1 3 387.423 0.566 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1C[C@H]1C1CCC1 ZINC001571124161 952534989 /nfs/dbraw/zinc/53/49/89/952534989.db2.gz ZUGWGGLTUAWLDG-UONOGXRCSA-N -1 3 376.442 0.450 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1C[C@H]1C1CCC1 ZINC001571124161 952534993 /nfs/dbraw/zinc/53/49/93/952534993.db2.gz ZUGWGGLTUAWLDG-UONOGXRCSA-N -1 3 376.442 0.450 20 0 GCADHM COc1ccc(NC(=O)N2CCC([C@@H](F)C(N)=O)CC2)cc1-c1nnn[n-]1 ZINC001571124698 952542405 /nfs/dbraw/zinc/54/24/05/952542405.db2.gz RNEUXHZWOODFTQ-CYBMUJFWSA-N -1 3 377.380 0.943 20 0 GCADHM COc1ccc(NC(=O)N2CCC([C@@H](F)C(N)=O)CC2)cc1-c1nn[n-]n1 ZINC001571124698 952542411 /nfs/dbraw/zinc/54/24/11/952542411.db2.gz RNEUXHZWOODFTQ-CYBMUJFWSA-N -1 3 377.380 0.943 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC001575211102 952543835 /nfs/dbraw/zinc/54/38/35/952543835.db2.gz NCVHXOGDNMBVLM-LLVKDONJSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC001575211102 952543843 /nfs/dbraw/zinc/54/38/43/952543843.db2.gz NCVHXOGDNMBVLM-LLVKDONJSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575212224 952552935 /nfs/dbraw/zinc/55/29/35/952552935.db2.gz FRMQXBLOUDNDSJ-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575212224 952552938 /nfs/dbraw/zinc/55/29/38/952552938.db2.gz FRMQXBLOUDNDSJ-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575212628 952555116 /nfs/dbraw/zinc/55/51/16/952555116.db2.gz MJYVACZZKZPPBZ-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575212628 952555124 /nfs/dbraw/zinc/55/51/24/952555124.db2.gz MJYVACZZKZPPBZ-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM O=C(c1ccncn1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571127669 952557881 /nfs/dbraw/zinc/55/78/81/952557881.db2.gz LQKAGCFGOCANDN-CVEARBPZSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ccncn1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571127669 952557888 /nfs/dbraw/zinc/55/78/88/952557888.db2.gz LQKAGCFGOCANDN-CVEARBPZSA-N -1 3 377.412 0.935 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575213571 952558770 /nfs/dbraw/zinc/55/87/70/952558770.db2.gz AVSCWLZBRVYAJX-QMMMGPOBSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575213571 952558771 /nfs/dbraw/zinc/55/87/71/952558771.db2.gz AVSCWLZBRVYAJX-QMMMGPOBSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575213595 952558857 /nfs/dbraw/zinc/55/88/57/952558857.db2.gz BOGAHCHMFQGOJX-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575213595 952558859 /nfs/dbraw/zinc/55/88/59/952558859.db2.gz BOGAHCHMFQGOJX-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001575213611 952559111 /nfs/dbraw/zinc/55/91/11/952559111.db2.gz CMZGQWQLKWBCLG-GHMZBOCLSA-N -1 3 397.386 0.178 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001575213611 952559118 /nfs/dbraw/zinc/55/91/18/952559118.db2.gz CMZGQWQLKWBCLG-GHMZBOCLSA-N -1 3 397.386 0.178 20 0 GCADHM O=C(c1ccncn1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571127676 952559469 /nfs/dbraw/zinc/55/94/69/952559469.db2.gz LQKAGCFGOCANDN-JKSUJKDBSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ccncn1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571127676 952559471 /nfs/dbraw/zinc/55/94/71/952559471.db2.gz LQKAGCFGOCANDN-JKSUJKDBSA-N -1 3 377.412 0.935 20 0 GCADHM Cc1nc(N2C[C@@H]3CN(C(=O)c4ncccn4)C[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001571127808 952559549 /nfs/dbraw/zinc/55/95/49/952559549.db2.gz NWKYDMJBYJTDDW-BETUJISGSA-N -1 3 377.412 0.569 20 0 GCADHM Cc1nc(N2C[C@@H]3CN(C(=O)c4ncccn4)C[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001571127808 952559553 /nfs/dbraw/zinc/55/95/53/952559553.db2.gz NWKYDMJBYJTDDW-BETUJISGSA-N -1 3 377.412 0.569 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001571128102 952563632 /nfs/dbraw/zinc/56/36/32/952563632.db2.gz PMXUYXJLOXCMMR-MRVPVSSYSA-N -1 3 377.474 0.946 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001571128102 952563635 /nfs/dbraw/zinc/56/36/35/952563635.db2.gz PMXUYXJLOXCMMR-MRVPVSSYSA-N -1 3 377.474 0.946 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575214604 952565491 /nfs/dbraw/zinc/56/54/91/952565491.db2.gz MYGBQVFLEBQCQK-SECBINFHSA-N -1 3 387.366 0.971 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575214604 952565495 /nfs/dbraw/zinc/56/54/95/952565495.db2.gz MYGBQVFLEBQCQK-SECBINFHSA-N -1 3 387.366 0.971 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001571128865 952571042 /nfs/dbraw/zinc/57/10/42/952571042.db2.gz XHHIWARQDRJNJU-LYRGGWFBSA-N -1 3 377.412 0.900 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001571128865 952571047 /nfs/dbraw/zinc/57/10/47/952571047.db2.gz XHHIWARQDRJNJU-LYRGGWFBSA-N -1 3 377.412 0.900 20 0 GCADHM O=C(c1cnccn1)N1CCC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571129031 952573283 /nfs/dbraw/zinc/57/32/83/952573283.db2.gz ZPIZEDLZGXRDSE-SWLSCSKDSA-N -1 3 377.412 0.793 20 0 GCADHM O=C(c1cnccn1)N1CCC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571129031 952573287 /nfs/dbraw/zinc/57/32/87/952573287.db2.gz ZPIZEDLZGXRDSE-SWLSCSKDSA-N -1 3 377.412 0.793 20 0 GCADHM COC(=O)C1(NCC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCOCC1 ZINC001571130475 952579481 /nfs/dbraw/zinc/57/94/81/952579481.db2.gz RKRIZGNSMTWLHD-UHFFFAOYSA-N -1 3 378.389 0.327 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)c(C)o1 ZINC001571130462 952580007 /nfs/dbraw/zinc/58/00/07/952580007.db2.gz RECJHZDOUYVFMP-UHFFFAOYSA-N -1 3 378.370 0.428 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)c(C)o1 ZINC001571130462 952580009 /nfs/dbraw/zinc/58/00/09/952580009.db2.gz RECJHZDOUYVFMP-UHFFFAOYSA-N -1 3 378.370 0.428 20 0 GCADHM Cc1nsc(NCC2CC(NC(=O)[C@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571135768 952608108 /nfs/dbraw/zinc/60/81/08/952608108.db2.gz DAGKMECLVNOEJP-AMDVSUOASA-N -1 3 378.418 0.047 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571135733 952608240 /nfs/dbraw/zinc/60/82/40/952608240.db2.gz CGSFCBYZTKWDOG-SWLSCSKDSA-N -1 3 378.396 0.713 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571135733 952608243 /nfs/dbraw/zinc/60/82/43/952608243.db2.gz CGSFCBYZTKWDOG-SWLSCSKDSA-N -1 3 378.396 0.713 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)c1cnoc1C1CC1 ZINC001571136081 952612385 /nfs/dbraw/zinc/61/23/85/952612385.db2.gz LZTXRJAJMLFEDA-NHAGDIPZSA-N -1 3 378.396 0.992 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)c1cnoc1C1CC1 ZINC001571136081 952612387 /nfs/dbraw/zinc/61/23/87/952612387.db2.gz LZTXRJAJMLFEDA-NHAGDIPZSA-N -1 3 378.396 0.992 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)[C@H]1CCC(F)(F)C1 ZINC001571139283 952619197 /nfs/dbraw/zinc/61/91/97/952619197.db2.gz FBMHPKXWRSPBRM-WCQGTBRESA-N -1 3 379.371 0.363 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)[C@H]1CCC(F)(F)C1 ZINC001571139283 952619200 /nfs/dbraw/zinc/61/92/00/952619200.db2.gz FBMHPKXWRSPBRM-WCQGTBRESA-N -1 3 379.371 0.363 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)C2(C(F)F)CC2)C1 ZINC001571139424 952620354 /nfs/dbraw/zinc/62/03/54/952620354.db2.gz HLMQAYFRBCUZPC-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)C2(C(F)F)CC2)C1 ZINC001571139424 952620356 /nfs/dbraw/zinc/62/03/56/952620356.db2.gz HLMQAYFRBCUZPC-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM CN(C(=O)[C@]1(F)CCOC1)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571139900 952622746 /nfs/dbraw/zinc/62/27/46/952622746.db2.gz KSYZWOLPGUIZMV-BZNIZROVSA-N -1 3 379.371 0.567 20 0 GCADHM CN(C(=O)[C@]1(F)CCOC1)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571139900 952622750 /nfs/dbraw/zinc/62/27/50/952622750.db2.gz KSYZWOLPGUIZMV-BZNIZROVSA-N -1 3 379.371 0.567 20 0 GCADHM O=C(NC1CC(CNC(=O)[C@@H]2CCC2(F)F)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571140058 952623343 /nfs/dbraw/zinc/62/33/43/952623343.db2.gz OGDVRKZBQGJQGO-RFBVYIQQSA-N -1 3 379.371 0.865 20 0 GCADHM O=C(NC1CC(CNC(=O)[C@@H]2CCC2(F)F)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571140058 952623344 /nfs/dbraw/zinc/62/33/44/952623344.db2.gz OGDVRKZBQGJQGO-RFBVYIQQSA-N -1 3 379.371 0.865 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCC1(F)F ZINC001571140185 952623412 /nfs/dbraw/zinc/62/34/12/952623412.db2.gz OUBVCXUEBFXASY-NXEZZACHSA-N -1 3 379.371 0.818 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCC1(F)F ZINC001571140185 952623414 /nfs/dbraw/zinc/62/34/14/952623414.db2.gz OUBVCXUEBFXASY-NXEZZACHSA-N -1 3 379.371 0.818 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)c1 ZINC001571140363 952624393 /nfs/dbraw/zinc/62/43/93/952624393.db2.gz BRVLVMAVXBDCKD-WBVHZDCISA-N -1 3 379.424 0.940 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)c1 ZINC001571140363 952624396 /nfs/dbraw/zinc/62/43/96/952624396.db2.gz BRVLVMAVXBDCKD-WBVHZDCISA-N -1 3 379.424 0.940 20 0 GCADHM CN(C(=O)[C@]1(F)CCOC1)C1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571140442 952625387 /nfs/dbraw/zinc/62/53/87/952625387.db2.gz QUHFDAWUTCYPSE-PRDDCLIZSA-N -1 3 379.371 0.931 20 0 GCADHM CN(C(=O)[C@]1(F)CCOC1)C1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571140442 952625388 /nfs/dbraw/zinc/62/53/88/952625388.db2.gz QUHFDAWUTCYPSE-PRDDCLIZSA-N -1 3 379.371 0.931 20 0 GCADHM Cc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)c(F)c3)C2)no1 ZINC001571140866 952629648 /nfs/dbraw/zinc/62/96/48/952629648.db2.gz UULBXJMIJBIZNG-SECBINFHSA-N -1 3 379.377 0.875 20 0 GCADHM C[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571141287 952632542 /nfs/dbraw/zinc/63/25/42/952632542.db2.gz XCQWJWLGCWJBPS-SWPVVBRQSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571141287 952632543 /nfs/dbraw/zinc/63/25/43/952632543.db2.gz XCQWJWLGCWJBPS-SWPVVBRQSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571141286 952632813 /nfs/dbraw/zinc/63/28/13/952632813.db2.gz XCQWJWLGCWJBPS-GGVZMXCHSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571141286 952632818 /nfs/dbraw/zinc/63/28/18/952632818.db2.gz XCQWJWLGCWJBPS-GGVZMXCHSA-N -1 3 379.371 0.673 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)c1-c1nnn[n-]1 ZINC001571141364 952633962 /nfs/dbraw/zinc/63/39/62/952633962.db2.gz XVTHLVNCMNGAJB-NTSWFWBYSA-N -1 3 379.324 0.060 20 0 GCADHM COc1cc(C(=O)Nc2nc(CS(C)(=O)=O)no2)ccc1-c1nnn[n-]1 ZINC001571141687 952634622 /nfs/dbraw/zinc/63/46/22/952634622.db2.gz YYUIXUGCIJJFCY-UHFFFAOYSA-N -1 3 379.358 0.055 20 0 GCADHM COc1cc(C(=O)Nc2nc(CS(C)(=O)=O)no2)ccc1-c1nn[n-]n1 ZINC001571141687 952634624 /nfs/dbraw/zinc/63/46/24/952634624.db2.gz YYUIXUGCIJJFCY-UHFFFAOYSA-N -1 3 379.358 0.055 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)c1-c1nnn[n-]1 ZINC001571141633 952635193 /nfs/dbraw/zinc/63/51/93/952635193.db2.gz XVTHLVNCMNGAJB-WDSKDSINSA-N -1 3 379.324 0.060 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C[C@@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001571141711 952635835 /nfs/dbraw/zinc/63/58/35/952635835.db2.gz ZWRYPRLYTIEFMY-TZMCWYRMSA-N -1 3 379.417 0.116 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C[C@@H](O)COc1ccccc1-c1nn[n-]n1 ZINC001571141711 952635839 /nfs/dbraw/zinc/63/58/39/952635839.db2.gz ZWRYPRLYTIEFMY-TZMCWYRMSA-N -1 3 379.417 0.116 20 0 GCADHM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001571142512 952643230 /nfs/dbraw/zinc/64/32/30/952643230.db2.gz SUNZAVBDNIWFHQ-RISCZKNCSA-N -1 3 378.458 0.484 20 0 GCADHM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001571142512 952643231 /nfs/dbraw/zinc/64/32/31/952643231.db2.gz SUNZAVBDNIWFHQ-RISCZKNCSA-N -1 3 378.458 0.484 20 0 GCADHM C[C@@]1(C(N)=O)CCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001571142743 952645769 /nfs/dbraw/zinc/64/57/69/952645769.db2.gz XDZJDTSIYJWQNA-CQSZACIVSA-N -1 3 379.218 0.967 20 0 GCADHM C[C@@]1(C(N)=O)CCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001571142743 952645774 /nfs/dbraw/zinc/64/57/74/952645774.db2.gz XDZJDTSIYJWQNA-CQSZACIVSA-N -1 3 379.218 0.967 20 0 GCADHM Cn1cnc(NC(=O)COc2cccc(Br)c2-c2nnn[n-]2)n1 ZINC001571142767 952646033 /nfs/dbraw/zinc/64/60/33/952646033.db2.gz XVDOVSVVCJBWOG-UHFFFAOYSA-N -1 3 379.178 0.775 20 0 GCADHM Cn1cnc(NC(=O)COc2cccc(Br)c2-c2nn[n-]n2)n1 ZINC001571142767 952646037 /nfs/dbraw/zinc/64/60/37/952646037.db2.gz XVDOVSVVCJBWOG-UHFFFAOYSA-N -1 3 379.178 0.775 20 0 GCADHM Cn1ccc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]3C2)n1 ZINC001571146073 952646898 /nfs/dbraw/zinc/64/68/98/952646898.db2.gz BWQWTPPKMQYYGE-OLZOCXBDSA-N -1 3 379.428 0.594 20 0 GCADHM Cn1ccc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]3C2)n1 ZINC001571146073 952646901 /nfs/dbraw/zinc/64/69/01/952646901.db2.gz BWQWTPPKMQYYGE-OLZOCXBDSA-N -1 3 379.428 0.594 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@H]1CCc2cncn2C1 ZINC001571146095 952647366 /nfs/dbraw/zinc/64/73/66/952647366.db2.gz CMSGYRGPGJBOJI-RWMBFGLXSA-N -1 3 379.428 0.780 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@H]1CCc2cncn2C1 ZINC001571146095 952647368 /nfs/dbraw/zinc/64/73/68/952647368.db2.gz CMSGYRGPGJBOJI-RWMBFGLXSA-N -1 3 379.428 0.780 20 0 GCADHM Cn1nc2c(c1C(=O)N[C@H]1C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C1)CCC2 ZINC001571146249 952647744 /nfs/dbraw/zinc/64/77/44/952647744.db2.gz FBWMXXHHMCZJEA-HAQNSBGRSA-N -1 3 379.428 0.857 20 0 GCADHM Cn1nc2c(c1C(=O)N[C@H]1C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C1)CCC2 ZINC001571146249 952647752 /nfs/dbraw/zinc/64/77/52/952647752.db2.gz FBWMXXHHMCZJEA-HAQNSBGRSA-N -1 3 379.428 0.857 20 0 GCADHM Cn1nc2c(c1C(=O)N[C@H]1CCN(c3ccc(-c4nnn[n-]4)cn3)C1)CCC2 ZINC001571146275 952647859 /nfs/dbraw/zinc/64/78/59/952647859.db2.gz FMQKDJKAVWRPIL-LBPRGKRZSA-N -1 3 379.428 0.493 20 0 GCADHM Cn1nc2c(c1C(=O)N[C@H]1CCN(c3ccc(-c4nn[n-]n4)cn3)C1)CCC2 ZINC001571146275 952647862 /nfs/dbraw/zinc/64/78/62/952647862.db2.gz FMQKDJKAVWRPIL-LBPRGKRZSA-N -1 3 379.428 0.493 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1 ZINC001571146251 952648355 /nfs/dbraw/zinc/64/83/55/952648355.db2.gz FCMISIIHMRTTOX-XBFCOCLRSA-N -1 3 379.428 0.843 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1 ZINC001571146251 952648357 /nfs/dbraw/zinc/64/83/57/952648357.db2.gz FCMISIIHMRTTOX-XBFCOCLRSA-N -1 3 379.428 0.843 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1n[nH]c2c1CCCC2 ZINC001571146513 952649032 /nfs/dbraw/zinc/64/90/32/952649032.db2.gz HSIISVAGOLOXCD-NSHDSACASA-N -1 3 379.428 0.872 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1n[nH]c2c1CCCC2 ZINC001571146513 952649035 /nfs/dbraw/zinc/64/90/35/952649035.db2.gz HSIISVAGOLOXCD-NSHDSACASA-N -1 3 379.428 0.872 20 0 GCADHM Cn1cncc1C(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571146383 952649184 /nfs/dbraw/zinc/64/91/84/952649184.db2.gz HCXKUGUTTOSCEB-ZIAGYGMSSA-N -1 3 379.428 0.736 20 0 GCADHM Cn1cncc1C(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571146383 952649187 /nfs/dbraw/zinc/64/91/87/952649187.db2.gz HCXKUGUTTOSCEB-ZIAGYGMSSA-N -1 3 379.428 0.736 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(CC2CC2)c1 ZINC001571146326 952649192 /nfs/dbraw/zinc/64/91/92/952649192.db2.gz GDSAYRARXYDQJD-OAHLLOKOSA-N -1 3 379.428 0.877 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(CC2CC2)c1 ZINC001571146326 952649194 /nfs/dbraw/zinc/64/91/94/952649194.db2.gz GDSAYRARXYDQJD-OAHLLOKOSA-N -1 3 379.428 0.877 20 0 GCADHM Cn1cncc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571146381 952649359 /nfs/dbraw/zinc/64/93/59/952649359.db2.gz HCXKUGUTTOSCEB-UONOGXRCSA-N -1 3 379.428 0.736 20 0 GCADHM Cn1cncc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571146381 952649362 /nfs/dbraw/zinc/64/93/62/952649362.db2.gz HCXKUGUTTOSCEB-UONOGXRCSA-N -1 3 379.428 0.736 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2cncn2C1 ZINC001571146549 952649729 /nfs/dbraw/zinc/64/97/29/952649729.db2.gz IGGWIEHLBOSXNH-ZIAGYGMSSA-N -1 3 379.428 0.416 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2cncn2C1 ZINC001571146549 952649732 /nfs/dbraw/zinc/64/97/32/952649732.db2.gz IGGWIEHLBOSXNH-ZIAGYGMSSA-N -1 3 379.428 0.416 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ncccc2-c2nnn[n-]2)C3)c1 ZINC001571146554 952649975 /nfs/dbraw/zinc/64/99/75/952649975.db2.gz IORZFEXVVJVSFF-AVGNSLFASA-N -1 3 379.428 0.783 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ncccc2-c2nn[n-]n2)C3)c1 ZINC001571146554 952649978 /nfs/dbraw/zinc/64/99/78/952649978.db2.gz IORZFEXVVJVSFF-AVGNSLFASA-N -1 3 379.428 0.783 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2cncn2C1 ZINC001571146546 952650433 /nfs/dbraw/zinc/65/04/33/952650433.db2.gz IGGWIEHLBOSXNH-KBPBESRZSA-N -1 3 379.428 0.416 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2cncn2C1 ZINC001571146546 952650434 /nfs/dbraw/zinc/65/04/34/952650434.db2.gz IGGWIEHLBOSXNH-KBPBESRZSA-N -1 3 379.428 0.416 20 0 GCADHM Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001571146704 952651847 /nfs/dbraw/zinc/65/18/47/952651847.db2.gz LTBUJZAOVGGHMF-BLLLJJGKSA-N -1 3 379.428 0.736 20 0 GCADHM Cn1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001571146704 952651853 /nfs/dbraw/zinc/65/18/53/952651853.db2.gz LTBUJZAOVGGHMF-BLLLJJGKSA-N -1 3 379.428 0.736 20 0 GCADHM Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001571146707 952652080 /nfs/dbraw/zinc/65/20/80/952652080.db2.gz LTBUJZAOVGGHMF-MLGOLLRUSA-N -1 3 379.428 0.736 20 0 GCADHM Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001571146707 952652086 /nfs/dbraw/zinc/65/20/86/952652086.db2.gz LTBUJZAOVGGHMF-MLGOLLRUSA-N -1 3 379.428 0.736 20 0 GCADHM Cc1nccc(N2C[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@]3(C)C2)n1 ZINC001571146899 952654382 /nfs/dbraw/zinc/65/43/82/952654382.db2.gz PEVHQLDUTOLFJC-ACJLOTCBSA-N -1 3 379.428 0.892 20 0 GCADHM Cc1nccc(N2C[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@]3(C)C2)n1 ZINC001571146899 952654384 /nfs/dbraw/zinc/65/43/84/952654384.db2.gz PEVHQLDUTOLFJC-ACJLOTCBSA-N -1 3 379.428 0.892 20 0 GCADHM Cn1nccc1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571147019 952655106 /nfs/dbraw/zinc/65/51/06/952655106.db2.gz QEVDSKJDFNVJSD-SFHVURJKSA-N -1 3 379.428 0.738 20 0 GCADHM Cn1nccc1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571147019 952655109 /nfs/dbraw/zinc/65/51/09/952655109.db2.gz QEVDSKJDFNVJSD-SFHVURJKSA-N -1 3 379.428 0.738 20 0 GCADHM O=C(Cn1cccn1)N1CC[C@H]2[C@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001571147032 952656227 /nfs/dbraw/zinc/65/62/27/952656227.db2.gz QOMDGAZUQBQRJM-HIFRSBDPSA-N -1 3 379.428 0.586 20 0 GCADHM O=C(Cn1cccn1)N1CC[C@H]2[C@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001571147032 952656232 /nfs/dbraw/zinc/65/62/32/952656232.db2.gz QOMDGAZUQBQRJM-HIFRSBDPSA-N -1 3 379.428 0.586 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2nccn2C1 ZINC001571147110 952657694 /nfs/dbraw/zinc/65/76/94/952657694.db2.gz TUMUPMMLRAJUIN-MELADBBJSA-N -1 3 379.428 0.780 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2nccn2C1 ZINC001571147110 952657698 /nfs/dbraw/zinc/65/76/98/952657698.db2.gz TUMUPMMLRAJUIN-MELADBBJSA-N -1 3 379.428 0.780 20 0 GCADHM Cc1nc(C)c(C)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571147263 952659526 /nfs/dbraw/zinc/65/95/26/952659526.db2.gz WALWVKLOOXEZRC-NHAGDIPZSA-N -1 3 379.428 0.775 20 0 GCADHM Cc1nc(C)c(C)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571147263 952659531 /nfs/dbraw/zinc/65/95/31/952659531.db2.gz WALWVKLOOXEZRC-NHAGDIPZSA-N -1 3 379.428 0.775 20 0 GCADHM CCc1nc[nH]c1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571147313 952659604 /nfs/dbraw/zinc/65/96/04/952659604.db2.gz JDFQPYVTQSDACC-BETUJISGSA-N -1 3 379.428 0.756 20 0 GCADHM Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571147425 952661520 /nfs/dbraw/zinc/66/15/20/952661520.db2.gz XMMNQQPZMLERRD-AEGPPILISA-N -1 3 379.428 0.812 20 0 GCADHM Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571147425 952661524 /nfs/dbraw/zinc/66/15/24/952661524.db2.gz XMMNQQPZMLERRD-AEGPPILISA-N -1 3 379.428 0.812 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571147513 952662691 /nfs/dbraw/zinc/66/26/91/952662691.db2.gz MQDNBXUSZOSCQU-SMDDNHRTSA-N -1 3 379.428 0.898 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571147513 952662692 /nfs/dbraw/zinc/66/26/92/952662692.db2.gz MQDNBXUSZOSCQU-SMDDNHRTSA-N -1 3 379.428 0.898 20 0 GCADHM CN(c1ncnc2c1CCC2)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571147979 952664709 /nfs/dbraw/zinc/66/47/09/952664709.db2.gz SHOAMXPZWMHOHE-GFCCVEGCSA-N -1 3 379.428 0.824 20 0 GCADHM CN(c1ncnc2c1CCC2)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571147979 952664711 /nfs/dbraw/zinc/66/47/11/952664711.db2.gz SHOAMXPZWMHOHE-GFCCVEGCSA-N -1 3 379.428 0.824 20 0 GCADHM O=C(N[C@@H](CO)[C@@H](O)c1ccccn1)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001571154829 952690663 /nfs/dbraw/zinc/69/06/63/952690663.db2.gz BYVNZUNLDNAENE-FSDCSDTHSA-N -1 3 380.408 0.576 20 0 GCADHM O=C(N[C@@H](CO)[C@@H](O)c1ccccn1)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001571154829 952690665 /nfs/dbraw/zinc/69/06/65/952690665.db2.gz BYVNZUNLDNAENE-FSDCSDTHSA-N -1 3 380.408 0.576 20 0 GCADHM CCc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571154999 952691691 /nfs/dbraw/zinc/69/16/91/952691691.db2.gz DKTWHFNSMNKQQR-CYBMUJFWSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571154999 952691695 /nfs/dbraw/zinc/69/16/95/952691695.db2.gz DKTWHFNSMNKQQR-CYBMUJFWSA-N -1 3 380.412 0.797 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001571155083 952692250 /nfs/dbraw/zinc/69/22/50/952692250.db2.gz HCVZMDXEVTZZAH-BPNCWPANSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001571155083 952692253 /nfs/dbraw/zinc/69/22/53/952692253.db2.gz HCVZMDXEVTZZAH-BPNCWPANSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cccnc1 ZINC001571155097 952692852 /nfs/dbraw/zinc/69/28/52/952692852.db2.gz HTPQRYSCUSQTFT-NILFDRSVSA-N -1 3 380.412 0.126 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cccnc1 ZINC001571155097 952692857 /nfs/dbraw/zinc/69/28/57/952692857.db2.gz HTPQRYSCUSQTFT-NILFDRSVSA-N -1 3 380.412 0.126 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571155310 952695904 /nfs/dbraw/zinc/69/59/04/952695904.db2.gz NMJPUVVJZJYWQO-BXUZGUMPSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571155310 952695906 /nfs/dbraw/zinc/69/59/06/952695906.db2.gz NMJPUVVJZJYWQO-BXUZGUMPSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1cccn(C)c1=O ZINC001571155541 952697623 /nfs/dbraw/zinc/69/76/23/952697623.db2.gz VTVPXNZQXUMRHL-AAEUAGOBSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1cccn(C)c1=O ZINC001571155541 952697628 /nfs/dbraw/zinc/69/76/28/952697628.db2.gz VTVPXNZQXUMRHL-AAEUAGOBSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1cn(C)ccc1=O ZINC001571155725 952699187 /nfs/dbraw/zinc/69/91/87/952699187.db2.gz YNNHASYQEHZXPW-AAEUAGOBSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1cn(C)ccc1=O ZINC001571155725 952699191 /nfs/dbraw/zinc/69/91/91/952699191.db2.gz YNNHASYQEHZXPW-AAEUAGOBSA-N -1 3 380.412 0.676 20 0 GCADHM Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)ncn1 ZINC001571156046 952700658 /nfs/dbraw/zinc/70/06/58/952700658.db2.gz BRPWQBRTJQBGLB-WQVCFCJDSA-N -1 3 379.428 0.829 20 0 GCADHM Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)ncn1 ZINC001571156046 952700660 /nfs/dbraw/zinc/70/06/60/952700660.db2.gz BRPWQBRTJQBGLB-WQVCFCJDSA-N -1 3 379.428 0.829 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)ncn1 ZINC001571156022 952701231 /nfs/dbraw/zinc/70/12/31/952701231.db2.gz AWVKFUQZNPYHFY-DGCLKSJQSA-N -1 3 379.428 0.862 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)ncn1 ZINC001571156022 952701233 /nfs/dbraw/zinc/70/12/33/952701233.db2.gz AWVKFUQZNPYHFY-DGCLKSJQSA-N -1 3 379.428 0.862 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cccn2)C3)n1 ZINC001571156725 952703474 /nfs/dbraw/zinc/70/34/74/952703474.db2.gz IBMMDPDUUQKCLJ-YUELXQCFSA-N -1 3 379.428 0.693 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cccn2)C3)n1 ZINC001571156725 952703477 /nfs/dbraw/zinc/70/34/77/952703477.db2.gz IBMMDPDUUQKCLJ-YUELXQCFSA-N -1 3 379.428 0.693 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571157854 952707945 /nfs/dbraw/zinc/70/79/45/952707945.db2.gz AGWOLMAENLDNBI-BXUZGUMPSA-N -1 3 380.412 0.533 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571157854 952707947 /nfs/dbraw/zinc/70/79/47/952707947.db2.gz AGWOLMAENLDNBI-BXUZGUMPSA-N -1 3 380.412 0.533 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)ccn1 ZINC001571157928 952708932 /nfs/dbraw/zinc/70/89/32/952708932.db2.gz DATUFFAIXAOLFH-CYBMUJFWSA-N -1 3 380.412 0.982 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)ccn1 ZINC001571157928 952708935 /nfs/dbraw/zinc/70/89/35/952708935.db2.gz DATUFFAIXAOLFH-CYBMUJFWSA-N -1 3 380.412 0.982 20 0 GCADHM Cc1cc(CC(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)no1 ZINC001571158282 952711051 /nfs/dbraw/zinc/71/10/51/952711051.db2.gz GFAILMZYNDROOF-BLLLJJGKSA-N -1 3 380.412 0.838 20 0 GCADHM Cc1cc(CC(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)no1 ZINC001571158282 952711058 /nfs/dbraw/zinc/71/10/58/952711058.db2.gz GFAILMZYNDROOF-BLLLJJGKSA-N -1 3 380.412 0.838 20 0 GCADHM COc1cncc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c1C ZINC001571158317 952711567 /nfs/dbraw/zinc/71/15/67/952711567.db2.gz GYUFNLYDPSUEFJ-LBPRGKRZSA-N -1 3 380.412 0.982 20 0 GCADHM COc1cncc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1C ZINC001571158317 952711572 /nfs/dbraw/zinc/71/15/72/952711572.db2.gz GYUFNLYDPSUEFJ-LBPRGKRZSA-N -1 3 380.412 0.982 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(C(=O)c2cncnc2)CC1 ZINC001571158507 952712305 /nfs/dbraw/zinc/71/23/05/952712305.db2.gz JZOKTXFXQRIAKX-UHFFFAOYSA-N -1 3 380.412 0.623 20 0 GCADHM Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571158686 952713341 /nfs/dbraw/zinc/71/33/41/952713341.db2.gz MKFKRRHIMCQFQI-YGRLFVJLSA-N -1 3 380.412 0.831 20 0 GCADHM Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571158686 952713344 /nfs/dbraw/zinc/71/33/44/952713344.db2.gz MKFKRRHIMCQFQI-YGRLFVJLSA-N -1 3 380.412 0.831 20 0 GCADHM Cc1cccc(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571158647 952713865 /nfs/dbraw/zinc/71/38/65/952713865.db2.gz LJQYWCLEEKXPEQ-LBPRGKRZSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1cccc(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571158647 952713872 /nfs/dbraw/zinc/71/38/72/952713872.db2.gz LJQYWCLEEKXPEQ-LBPRGKRZSA-N -1 3 380.412 0.933 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H](NC(=O)c2cnccn2)C1 ZINC001571158953 952715552 /nfs/dbraw/zinc/71/55/52/952715552.db2.gz OALFJHFDIBKAPP-AWEZNQCLSA-N -1 3 380.412 0.670 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)cn1 ZINC001571159512 952719757 /nfs/dbraw/zinc/71/97/57/952719757.db2.gz XBUOMWASNBVZBH-OAHLLOKOSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)cn1 ZINC001571159512 952719764 /nfs/dbraw/zinc/71/97/64/952719764.db2.gz XBUOMWASNBVZBH-OAHLLOKOSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)C2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)ccn1 ZINC001571159466 952720014 /nfs/dbraw/zinc/72/00/14/952720014.db2.gz VNFFZWLOWDIMAD-LLVKDONJSA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)C2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)ccn1 ZINC001571159466 952720017 /nfs/dbraw/zinc/72/00/17/952720017.db2.gz VNFFZWLOWDIMAD-LLVKDONJSA-N -1 3 380.412 0.789 20 0 GCADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1)c1ccccn1 ZINC001571160081 952723051 /nfs/dbraw/zinc/72/30/51/952723051.db2.gz DEEQTIAOGCSQNT-CYBMUJFWSA-N -1 3 380.412 0.682 20 0 GCADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1)c1ccccn1 ZINC001571160081 952723056 /nfs/dbraw/zinc/72/30/56/952723056.db2.gz DEEQTIAOGCSQNT-CYBMUJFWSA-N -1 3 380.412 0.682 20 0 GCADHM Cc1cnccc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571160039 952723190 /nfs/dbraw/zinc/72/31/90/952723190.db2.gz BQCYULQQANMXEO-RISCZKNCSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cnccc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571160039 952723197 /nfs/dbraw/zinc/72/31/97/952723197.db2.gz BQCYULQQANMXEO-RISCZKNCSA-N -1 3 380.412 0.931 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)c1 ZINC001571160018 952723304 /nfs/dbraw/zinc/72/33/04/952723304.db2.gz AQPYWGUXCAKVRT-ZSOGYDGISA-N -1 3 380.412 0.281 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)c1 ZINC001571160018 952723307 /nfs/dbraw/zinc/72/33/07/952723307.db2.gz AQPYWGUXCAKVRT-ZSOGYDGISA-N -1 3 380.412 0.281 20 0 GCADHM Cc1cnc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)cc1C ZINC001571160104 952723914 /nfs/dbraw/zinc/72/39/14/952723914.db2.gz DRPNHSVRAMTALJ-HZPDHXFCSA-N -1 3 380.412 0.253 20 0 GCADHM Cc1cnc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)cc1C ZINC001571160104 952723917 /nfs/dbraw/zinc/72/39/17/952723917.db2.gz DRPNHSVRAMTALJ-HZPDHXFCSA-N -1 3 380.412 0.253 20 0 GCADHM Cc1cnccc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001571160093 952724182 /nfs/dbraw/zinc/72/41/82/952724182.db2.gz DLTHIJJWMHGVEA-CQSZACIVSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1cnccc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001571160093 952724183 /nfs/dbraw/zinc/72/41/83/952724183.db2.gz DLTHIJJWMHGVEA-CQSZACIVSA-N -1 3 380.412 0.600 20 0 GCADHM O=C(c1cccnc1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571160097 952724407 /nfs/dbraw/zinc/72/44/07/952724407.db2.gz DNYOHMQBEMPCPF-UHFFFAOYSA-N -1 3 380.412 0.736 20 0 GCADHM O=C(c1cccnc1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571160097 952724414 /nfs/dbraw/zinc/72/44/14/952724414.db2.gz DNYOHMQBEMPCPF-UHFFFAOYSA-N -1 3 380.412 0.736 20 0 GCADHM Cc1nc(C(=O)N2CC[C@H]3CN(c4nc(C)ccc4-c4nn[n-]n4)C[C@H]32)c[nH]1 ZINC001571160380 952726271 /nfs/dbraw/zinc/72/62/71/952726271.db2.gz ZTHQAOHVMMCZJM-SWLSCSKDSA-N -1 3 379.428 0.953 20 0 GCADHM O=C(c1ccncc1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571160590 952727291 /nfs/dbraw/zinc/72/72/91/952727291.db2.gz JRKWSKQUXVGZBT-OAHLLOKOSA-N -1 3 380.412 1.000 20 0 GCADHM O=C(c1ccncc1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571160590 952727294 /nfs/dbraw/zinc/72/72/94/952727294.db2.gz JRKWSKQUXVGZBT-OAHLLOKOSA-N -1 3 380.412 1.000 20 0 GCADHM Cc1ccncc1CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571160548 952727864 /nfs/dbraw/zinc/72/78/64/952727864.db2.gz JEHKRSUOYZMKSP-UHFFFAOYSA-N -1 3 380.412 0.425 20 0 GCADHM Cc1ccncc1CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571160548 952727869 /nfs/dbraw/zinc/72/78/69/952727869.db2.gz JEHKRSUOYZMKSP-UHFFFAOYSA-N -1 3 380.412 0.425 20 0 GCADHM Cc1ncccc1C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571161049 952729385 /nfs/dbraw/zinc/72/93/85/952729385.db2.gz PKTMALKYPQXHKZ-UHFFFAOYSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1ncccc1C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571161049 952729386 /nfs/dbraw/zinc/72/93/86/952729386.db2.gz PKTMALKYPQXHKZ-UHFFFAOYSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1cnccc1C(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161003 952729681 /nfs/dbraw/zinc/72/96/81/952729681.db2.gz OLYJCXAVHXKULG-NSHDSACASA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cnccc1C(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161003 952729686 /nfs/dbraw/zinc/72/96/86/952729686.db2.gz OLYJCXAVHXKULG-NSHDSACASA-N -1 3 380.412 0.789 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1)c1ncccn1 ZINC001571160981 952730198 /nfs/dbraw/zinc/73/01/98/952730198.db2.gz OCFZOQOBWJJGML-CQSZACIVSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1)c1ncccn1 ZINC001571160981 952730202 /nfs/dbraw/zinc/73/02/02/952730202.db2.gz OCFZOQOBWJJGML-CQSZACIVSA-N -1 3 380.412 0.288 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)ccc1=O ZINC001571161223 952730869 /nfs/dbraw/zinc/73/08/69/952730869.db2.gz ROARMHOQXLBNRE-CYBMUJFWSA-N -1 3 380.412 0.359 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)ccc1=O ZINC001571161223 952730877 /nfs/dbraw/zinc/73/08/77/952730877.db2.gz ROARMHOQXLBNRE-CYBMUJFWSA-N -1 3 380.412 0.359 20 0 GCADHM Cn1cc(C(=O)NC2CCN(c3ncccc3-c3nnn[n-]3)CC2)ccc1=O ZINC001571161196 952730971 /nfs/dbraw/zinc/73/09/71/952730971.db2.gz QTRWMAYSODVUMF-UHFFFAOYSA-N -1 3 380.412 0.359 20 0 GCADHM Cn1cc(C(=O)NC2CCN(c3ncccc3-c3nn[n-]n3)CC2)ccc1=O ZINC001571161196 952730976 /nfs/dbraw/zinc/73/09/76/952730976.db2.gz QTRWMAYSODVUMF-UHFFFAOYSA-N -1 3 380.412 0.359 20 0 GCADHM Cc1cnccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001571161272 952731848 /nfs/dbraw/zinc/73/18/48/952731848.db2.gz UBTCEECMTYTKMI-GOEBONIOSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1cnccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001571161272 952731851 /nfs/dbraw/zinc/73/18/51/952731851.db2.gz UBTCEECMTYTKMI-GOEBONIOSA-N -1 3 380.412 0.335 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2ccccn2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571161473 952732690 /nfs/dbraw/zinc/73/26/90/952732690.db2.gz WTFSBBNCTXKVTC-LBPRGKRZSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2ccccn2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571161473 952732694 /nfs/dbraw/zinc/73/26/94/952732694.db2.gz WTFSBBNCTXKVTC-LBPRGKRZSA-N -1 3 380.412 0.872 20 0 GCADHM Cc1cnccc1C(=O)N[C@H](C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161586 952732784 /nfs/dbraw/zinc/73/27/84/952732784.db2.gz XEVPFXUBTYHXGE-LLVKDONJSA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cnccc1C(=O)N[C@H](C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161586 952732790 /nfs/dbraw/zinc/73/27/90/952732790.db2.gz XEVPFXUBTYHXGE-LLVKDONJSA-N -1 3 380.412 0.789 20 0 GCADHM O=C(CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC001571161483 952733237 /nfs/dbraw/zinc/73/32/37/952733237.db2.gz WZOSVPDXSZNCBR-CQSZACIVSA-N -1 3 380.412 0.638 20 0 GCADHM O=C(CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC001571161483 952733242 /nfs/dbraw/zinc/73/32/42/952733242.db2.gz WZOSVPDXSZNCBR-CQSZACIVSA-N -1 3 380.412 0.638 20 0 GCADHM O=C(Cc1cccnc1)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571161641 952734020 /nfs/dbraw/zinc/73/40/20/952734020.db2.gz ZLNQQCZUMIEANI-ZDUSSCGKSA-N -1 3 380.412 0.411 20 0 GCADHM O=C(Cc1cccnc1)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571161641 952734022 /nfs/dbraw/zinc/73/40/22/952734022.db2.gz ZLNQQCZUMIEANI-ZDUSSCGKSA-N -1 3 380.412 0.411 20 0 GCADHM Cc1cnccc1C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161604 952734372 /nfs/dbraw/zinc/73/43/72/952734372.db2.gz YJRQBUJCSHTVFB-UHFFFAOYSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cnccc1C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161604 952734376 /nfs/dbraw/zinc/73/43/76/952734376.db2.gz YJRQBUJCSHTVFB-UHFFFAOYSA-N -1 3 380.412 0.931 20 0 GCADHM CCn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001571162020 952737349 /nfs/dbraw/zinc/73/73/49/952737349.db2.gz HZLLYCWKZQTCBC-DGFSRKRXSA-N -1 3 380.416 0.413 20 0 GCADHM CCn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001571162020 952737355 /nfs/dbraw/zinc/73/73/55/952737355.db2.gz HZLLYCWKZQTCBC-DGFSRKRXSA-N -1 3 380.416 0.413 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571162285 952741944 /nfs/dbraw/zinc/74/19/44/952741944.db2.gz PPMUIYRKVHADAT-QKCSRTOESA-N -1 3 380.416 0.157 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571162285 952741948 /nfs/dbraw/zinc/74/19/48/952741948.db2.gz PPMUIYRKVHADAT-QKCSRTOESA-N -1 3 380.416 0.157 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nnn[n-]3)n2)[nH]n1 ZINC001571162414 952743426 /nfs/dbraw/zinc/74/34/26/952743426.db2.gz TUVCKMWUXWGDGA-TXEJJXNPSA-N -1 3 380.416 0.572 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cncc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571162414 952743428 /nfs/dbraw/zinc/74/34/28/952743428.db2.gz TUVCKMWUXWGDGA-TXEJJXNPSA-N -1 3 380.416 0.572 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3n[nH]c4c3CCC4)C2)n1 ZINC001571162455 952743880 /nfs/dbraw/zinc/74/38/80/952743880.db2.gz URBQPWSNFHISRY-JTQLQIEISA-N -1 3 380.416 0.186 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)c1nccnc1N ZINC001571162457 952744097 /nfs/dbraw/zinc/74/40/97/952744097.db2.gz USFKYJKFWHLESB-GFCCVEGCSA-N -1 3 380.416 0.279 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)c1nccnc1N ZINC001571162457 952744099 /nfs/dbraw/zinc/74/40/99/952744099.db2.gz USFKYJKFWHLESB-GFCCVEGCSA-N -1 3 380.416 0.279 20 0 GCADHM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001571162632 952745332 /nfs/dbraw/zinc/74/53/32/952745332.db2.gz WSIBLOPLJWHVIA-KOLCDFICSA-N -1 3 380.416 0.972 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)c3nccnc3N)[C@H]2C)ccc1-c1nnn[n-]1 ZINC001571165135 952747401 /nfs/dbraw/zinc/74/74/01/952747401.db2.gz CQQFGCMNJWQUEF-CMPLNLGQSA-N -1 3 380.416 0.657 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)c3nccnc3N)[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571165135 952747407 /nfs/dbraw/zinc/74/74/07/952747407.db2.gz CQQFGCMNJWQUEF-CMPLNLGQSA-N -1 3 380.416 0.657 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571165494 952752426 /nfs/dbraw/zinc/75/24/26/952752426.db2.gz IDZZBLSUULKEQJ-OLZOCXBDSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CC[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571165494 952752430 /nfs/dbraw/zinc/75/24/30/952752430.db2.gz IDZZBLSUULKEQJ-OLZOCXBDSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1n[nH]c2c1CCC2 ZINC001571165515 952752581 /nfs/dbraw/zinc/75/25/81/952752581.db2.gz IUBOBOWAIJVFCM-MGCOHNPYSA-N -1 3 380.416 0.489 20 0 GCADHM O=C(Cc1nnc(C2CC2)[nH]1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001571165979 952757436 /nfs/dbraw/zinc/75/74/36/952757436.db2.gz MJDSVXHWTPHEDY-UHFFFAOYSA-N -1 3 380.416 0.149 20 0 GCADHM O=C(Cc1nnc(C2CC2)[nH]1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001571165979 952757442 /nfs/dbraw/zinc/75/74/42/952757442.db2.gz MJDSVXHWTPHEDY-UHFFFAOYSA-N -1 3 380.416 0.149 20 0 GCADHM O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166117 952758474 /nfs/dbraw/zinc/75/84/74/952758474.db2.gz ODORMZRBOJRBJO-NSHDSACASA-N -1 3 380.416 0.974 20 0 GCADHM O=C(c1cn[nH]n1)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571166205 952760163 /nfs/dbraw/zinc/76/01/63/952760163.db2.gz QAEMVOLQHJYTEH-KRWDZBQOSA-N -1 3 380.416 0.513 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571166372 952760402 /nfs/dbraw/zinc/76/04/02/952760402.db2.gz RCBMPNZQTONOMG-IAQYHMDHSA-N -1 3 380.416 0.131 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571166372 952760405 /nfs/dbraw/zinc/76/04/05/952760405.db2.gz RCBMPNZQTONOMG-IAQYHMDHSA-N -1 3 380.416 0.131 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571166477 952761735 /nfs/dbraw/zinc/76/17/35/952761735.db2.gz SGDKVQWFFUWZKB-QWHCGFSZSA-N -1 3 380.416 0.131 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571166477 952761736 /nfs/dbraw/zinc/76/17/36/952761736.db2.gz SGDKVQWFFUWZKB-QWHCGFSZSA-N -1 3 380.416 0.131 20 0 GCADHM Cc1ncc(C(=O)N[C@]23CCC[C@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)[nH]1 ZINC001571166493 952761876 /nfs/dbraw/zinc/76/18/76/952761876.db2.gz SRPJFVAUAFMHAU-DYVFJYSZSA-N -1 3 380.416 0.620 20 0 GCADHM Nc1nccnc1C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571166471 952762348 /nfs/dbraw/zinc/76/23/48/952762348.db2.gz SEPFSJKSEQXKBT-NSHDSACASA-N -1 3 380.416 0.741 20 0 GCADHM Nc1nccnc1C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571166471 952762353 /nfs/dbraw/zinc/76/23/53/952762353.db2.gz SEPFSJKSEQXKBT-NSHDSACASA-N -1 3 380.416 0.741 20 0 GCADHM O=C(N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1n[nH]c2c1CCC2 ZINC001571166806 952765616 /nfs/dbraw/zinc/76/56/16/952765616.db2.gz WIRUIJHAYIYAQN-SNVBAGLBSA-N -1 3 380.416 0.267 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1 ZINC001571166977 952767465 /nfs/dbraw/zinc/76/74/65/952767465.db2.gz ZTBRAWHEFPSOHY-UPJWGTAASA-N -1 3 380.416 0.088 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001571167056 952769278 /nfs/dbraw/zinc/76/92/78/952769278.db2.gz UNWQQRXJHWTMFC-SNVBAGLBSA-N -1 3 380.430 0.016 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001571167056 952769283 /nfs/dbraw/zinc/76/92/83/952769283.db2.gz UNWQQRXJHWTMFC-SNVBAGLBSA-N -1 3 380.430 0.016 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001571170002 952782098 /nfs/dbraw/zinc/78/20/98/952782098.db2.gz CCXIEPWAPBETSK-XHDPSFHLSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001571170002 952782100 /nfs/dbraw/zinc/78/21/00/952782100.db2.gz CCXIEPWAPBETSK-XHDPSFHLSA-N -1 3 381.400 0.393 20 0 GCADHM CC1(C)CN(C(=O)c2cnccn2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170362 952784900 /nfs/dbraw/zinc/78/49/00/952784900.db2.gz HKNWXRJZLZBEKD-ZDUSSCGKSA-N -1 3 381.400 0.265 20 0 GCADHM CC1(C)CN(C(=O)c2cnccn2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170362 952784903 /nfs/dbraw/zinc/78/49/03/952784903.db2.gz HKNWXRJZLZBEKD-ZDUSSCGKSA-N -1 3 381.400 0.265 20 0 GCADHM CN(C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)c1cc(-c2nnn[n-]2)ccn1 ZINC001571170411 952785979 /nfs/dbraw/zinc/78/59/79/952785979.db2.gz JBZXCMRIMGKECO-LBPRGKRZSA-N -1 3 381.400 0.401 20 0 GCADHM CN(C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)c1cc(-c2nn[n-]n2)ccn1 ZINC001571170411 952785981 /nfs/dbraw/zinc/78/59/81/952785981.db2.gz JBZXCMRIMGKECO-LBPRGKRZSA-N -1 3 381.400 0.401 20 0 GCADHM COc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cc1 ZINC001571170425 952786202 /nfs/dbraw/zinc/78/62/02/952786202.db2.gz JKJHPKZHBFVCNC-CYBMUJFWSA-N -1 3 381.396 0.848 20 0 GCADHM COc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cc1 ZINC001571170425 952786206 /nfs/dbraw/zinc/78/62/06/952786206.db2.gz JKJHPKZHBFVCNC-CYBMUJFWSA-N -1 3 381.396 0.848 20 0 GCADHM O=C(NC1CN(C[C@H]2COc3ccccc3O2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571170799 952788615 /nfs/dbraw/zinc/78/86/15/952788615.db2.gz LPYMNOVGNTXYLK-ZDUSSCGKSA-N -1 3 381.396 0.449 20 0 GCADHM O=C(NC1CN(C[C@H]2COc3ccccc3O2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571170799 952788620 /nfs/dbraw/zinc/78/86/20/952788620.db2.gz LPYMNOVGNTXYLK-ZDUSSCGKSA-N -1 3 381.396 0.449 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571171134 952792120 /nfs/dbraw/zinc/79/21/20/952792120.db2.gz PVNIRZCGUURSNF-CMPLNLGQSA-N -1 3 381.400 0.720 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571171134 952792122 /nfs/dbraw/zinc/79/21/22/952792122.db2.gz PVNIRZCGUURSNF-CMPLNLGQSA-N -1 3 381.400 0.720 20 0 GCADHM COc1ccccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001571171382 952792416 /nfs/dbraw/zinc/79/24/16/952792416.db2.gz RXAXLTCIDIXFRN-CABCVRRESA-N -1 3 381.396 0.250 20 0 GCADHM COc1ccccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001571171382 952792417 /nfs/dbraw/zinc/79/24/17/952792417.db2.gz RXAXLTCIDIXFRN-CABCVRRESA-N -1 3 381.396 0.250 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571171617 952795286 /nfs/dbraw/zinc/79/52/86/952795286.db2.gz UCMRFTIKFJFJMO-ZYHUDNBSSA-N -1 3 381.400 0.578 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571171617 952795289 /nfs/dbraw/zinc/79/52/89/952795289.db2.gz UCMRFTIKFJFJMO-ZYHUDNBSSA-N -1 3 381.400 0.578 20 0 GCADHM O=C(c1cocn1)N1CCOC2(CN(Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001571171802 952797196 /nfs/dbraw/zinc/79/71/96/952797196.db2.gz WVPZBFGHCTZPOZ-UHFFFAOYSA-N -1 3 381.396 0.582 20 0 GCADHM O=C(c1cocn1)N1CCOC2(CN(Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571171802 952797201 /nfs/dbraw/zinc/79/72/01/952797201.db2.gz WVPZBFGHCTZPOZ-UHFFFAOYSA-N -1 3 381.396 0.582 20 0 GCADHM COCCN1CCN(c2cc(Br)ccc2-c2nnn[n-]2)CC1=O ZINC001571172573 952808213 /nfs/dbraw/zinc/80/82/13/952808213.db2.gz XMNUCLVHGPYEQC-UHFFFAOYSA-N -1 3 381.234 0.924 20 0 GCADHM COCCN1CCN(c2cc(Br)ccc2-c2nn[n-]n2)CC1=O ZINC001571172573 952808216 /nfs/dbraw/zinc/80/82/16/952808216.db2.gz XMNUCLVHGPYEQC-UHFFFAOYSA-N -1 3 381.234 0.924 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1ncccn1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571174570 952809366 /nfs/dbraw/zinc/80/93/66/952809366.db2.gz ATSDWFVJQMBFAH-GFCCVEGCSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1ncccn1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571174570 952809372 /nfs/dbraw/zinc/80/93/72/952809372.db2.gz ATSDWFVJQMBFAH-GFCCVEGCSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1ccnnc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571174566 952810159 /nfs/dbraw/zinc/81/01/59/952810159.db2.gz ALLJMDJFLVFVKM-GFCCVEGCSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1ccnnc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571174566 952810165 /nfs/dbraw/zinc/81/01/65/952810165.db2.gz ALLJMDJFLVFVKM-GFCCVEGCSA-N -1 3 381.400 0.362 20 0 GCADHM Cc1cc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c(C)nn1 ZINC001571174606 952811951 /nfs/dbraw/zinc/81/19/51/952811951.db2.gz BRUPMUDCQPVMOE-UHFFFAOYSA-N -1 3 381.400 0.200 20 0 GCADHM Cc1cc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c(C)nn1 ZINC001571174606 952811959 /nfs/dbraw/zinc/81/19/59/952811959.db2.gz BRUPMUDCQPVMOE-UHFFFAOYSA-N -1 3 381.400 0.200 20 0 GCADHM COCc1ncc2c(n1)CCN(C(=O)NCc1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571174699 952812650 /nfs/dbraw/zinc/81/26/50/952812650.db2.gz FMPJMHVCSJIPRQ-UHFFFAOYSA-N -1 3 381.400 0.466 20 0 GCADHM COCc1ncc2c(n1)CCN(C(=O)NCc1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571174699 952812657 /nfs/dbraw/zinc/81/26/57/952812657.db2.gz FMPJMHVCSJIPRQ-UHFFFAOYSA-N -1 3 381.400 0.466 20 0 GCADHM COc1nccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@H]2C)n1 ZINC001571174713 952813425 /nfs/dbraw/zinc/81/34/25/952813425.db2.gz FZTHISWHWFIITA-ZYHUDNBSSA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@H]2C)n1 ZINC001571174713 952813433 /nfs/dbraw/zinc/81/34/33/952813433.db2.gz FZTHISWHWFIITA-ZYHUDNBSSA-N -1 3 381.400 0.775 20 0 GCADHM COc1cnc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)nc1 ZINC001571174789 952813576 /nfs/dbraw/zinc/81/35/76/952813576.db2.gz IFPVJGXMBIZSGU-LLVKDONJSA-N -1 3 381.400 0.777 20 0 GCADHM COc1cnc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)nc1 ZINC001571174789 952813579 /nfs/dbraw/zinc/81/35/79/952813579.db2.gz IFPVJGXMBIZSGU-LLVKDONJSA-N -1 3 381.400 0.777 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)cnn1 ZINC001571174788 952814429 /nfs/dbraw/zinc/81/44/29/952814429.db2.gz ICJPGPXTRFODCF-ZWNOBZJWSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)cnn1 ZINC001571174788 952814434 /nfs/dbraw/zinc/81/44/34/952814434.db2.gz ICJPGPXTRFODCF-ZWNOBZJWSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)Nc1cnc(N2C[C@H]3CC[C@@H](C2)O3)nc1 ZINC001571174854 952816280 /nfs/dbraw/zinc/81/62/80/952816280.db2.gz KNKKDFFSEZSPCI-TXEJJXNPSA-N -1 3 381.400 0.913 20 0 GCADHM COc1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001571175148 952817620 /nfs/dbraw/zinc/81/76/20/952817620.db2.gz QVRAVMPNZSECHV-LBPRGKRZSA-N -1 3 381.400 0.777 20 0 GCADHM COc1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001571175148 952817624 /nfs/dbraw/zinc/81/76/24/952817624.db2.gz QVRAVMPNZSECHV-LBPRGKRZSA-N -1 3 381.400 0.777 20 0 GCADHM O=C(N[C@@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2)c1cn[nH]c1 ZINC001571175319 952819297 /nfs/dbraw/zinc/81/92/97/952819297.db2.gz ARINJLBPKZPYGX-OLZOCXBDSA-N -1 3 381.400 0.389 20 0 GCADHM O=C(N[C@@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2)c1cn[nH]c1 ZINC001571175319 952819304 /nfs/dbraw/zinc/81/93/04/952819304.db2.gz ARINJLBPKZPYGX-OLZOCXBDSA-N -1 3 381.400 0.389 20 0 GCADHM O=C(N[C@H]1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1)c1cn[nH]c(=O)c1 ZINC001571175308 952819609 /nfs/dbraw/zinc/81/96/09/952819609.db2.gz ALOPOGCFRBFMLK-GWCFXTLKSA-N -1 3 381.400 0.768 20 0 GCADHM O=C(N[C@H]1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1)c1cn[nH]c(=O)c1 ZINC001571175308 952819617 /nfs/dbraw/zinc/81/96/17/952819617.db2.gz ALOPOGCFRBFMLK-GWCFXTLKSA-N -1 3 381.400 0.768 20 0 GCADHM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nc(C)n1 ZINC001571175291 952819932 /nfs/dbraw/zinc/81/99/32/952819932.db2.gz RRJBUTBPSBYNCR-PHIMTYICSA-N -1 3 381.400 0.292 20 0 GCADHM Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nc(C)n1 ZINC001571175291 952819935 /nfs/dbraw/zinc/81/99/35/952819935.db2.gz RRJBUTBPSBYNCR-PHIMTYICSA-N -1 3 381.400 0.292 20 0 GCADHM COc1cc(C(=O)N2CC[C@@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)ncn1 ZINC001571175423 952822380 /nfs/dbraw/zinc/82/23/80/952822380.db2.gz URYSYMNGSJFKLD-LLVKDONJSA-N -1 3 381.400 0.695 20 0 GCADHM COc1cc(C(=O)N2CC[C@@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)ncn1 ZINC001571175423 952822386 /nfs/dbraw/zinc/82/23/86/952822386.db2.gz URYSYMNGSJFKLD-LLVKDONJSA-N -1 3 381.400 0.695 20 0 GCADHM COc1cncc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001571175587 952822856 /nfs/dbraw/zinc/82/28/56/952822856.db2.gz VVHAGDOXGAHTEZ-UHFFFAOYSA-N -1 3 381.400 0.459 20 0 GCADHM COc1cncc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001571175587 952822858 /nfs/dbraw/zinc/82/28/58/952822858.db2.gz VVHAGDOXGAHTEZ-UHFFFAOYSA-N -1 3 381.400 0.459 20 0 GCADHM COc1ncc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001571175605 952823460 /nfs/dbraw/zinc/82/34/60/952823460.db2.gz WXCPKAXCZLHMCQ-CYBMUJFWSA-N -1 3 381.400 0.777 20 0 GCADHM COc1ncc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001571175605 952823461 /nfs/dbraw/zinc/82/34/61/952823461.db2.gz WXCPKAXCZLHMCQ-CYBMUJFWSA-N -1 3 381.400 0.777 20 0 GCADHM Cc1ccnc(C(=O)N[C@H](C)C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571175656 952823626 /nfs/dbraw/zinc/82/36/26/952823626.db2.gz DFIFYHWIMLVVDC-SNVBAGLBSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ccnc(C(=O)N[C@H](C)C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571175656 952823635 /nfs/dbraw/zinc/82/36/35/952823635.db2.gz DFIFYHWIMLVVDC-SNVBAGLBSA-N -1 3 381.400 0.184 20 0 GCADHM Cn1nccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571175714 952825402 /nfs/dbraw/zinc/82/54/02/952825402.db2.gz FUJFQLPMGNZUBA-PHIMTYICSA-N -1 3 381.400 0.058 20 0 GCADHM Cn1nccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571175714 952825405 /nfs/dbraw/zinc/82/54/05/952825405.db2.gz FUJFQLPMGNZUBA-PHIMTYICSA-N -1 3 381.400 0.058 20 0 GCADHM NC(=O)c1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001571175684 952825409 /nfs/dbraw/zinc/82/54/09/952825409.db2.gz FCAXMDYHKUAOAB-OTCDBFHCSA-N -1 3 381.400 0.309 20 0 GCADHM NC(=O)c1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571175684 952825410 /nfs/dbraw/zinc/82/54/10/952825410.db2.gz FCAXMDYHKUAOAB-OTCDBFHCSA-N -1 3 381.400 0.309 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ccnnc2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571175915 952825982 /nfs/dbraw/zinc/82/59/82/952825982.db2.gz IBTARDBLEQDDOC-GXFFZTMASA-N -1 3 381.400 0.313 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ccnnc2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571175915 952825988 /nfs/dbraw/zinc/82/59/88/952825988.db2.gz IBTARDBLEQDDOC-GXFFZTMASA-N -1 3 381.400 0.313 20 0 GCADHM Cc1nc(NC[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)ccc1-c1nnn[n-]1 ZINC001571175937 952826354 /nfs/dbraw/zinc/82/63/54/952826354.db2.gz IUGUGPQNSXHMRC-NSHDSACASA-N -1 3 381.400 0.640 20 0 GCADHM Cc1nc(NC[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)ccc1-c1nn[n-]n1 ZINC001571175937 952826357 /nfs/dbraw/zinc/82/63/57/952826357.db2.gz IUGUGPQNSXHMRC-NSHDSACASA-N -1 3 381.400 0.640 20 0 GCADHM Cn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ncccc2-c2nn[n-]n2)[nH]c1=O ZINC001571176312 952830474 /nfs/dbraw/zinc/83/04/74/952830474.db2.gz PADFVAALWHQWSV-PHIMTYICSA-N -1 3 381.400 0.194 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccncn1 ZINC001571176309 952830771 /nfs/dbraw/zinc/83/07/71/952830771.db2.gz OWODPVLYNBYVKN-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccncn1 ZINC001571176309 952830776 /nfs/dbraw/zinc/83/07/76/952830776.db2.gz OWODPVLYNBYVKN-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571176404 952831688 /nfs/dbraw/zinc/83/16/88/952831688.db2.gz RDVLEMXNZOXFAC-NOZJJQNGSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571176404 952831692 /nfs/dbraw/zinc/83/16/92/952831692.db2.gz RDVLEMXNZOXFAC-NOZJJQNGSA-N -1 3 381.400 0.184 20 0 GCADHM O=C(N[C@@H]1CCC[C@@H](NC(=O)c2ccncn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571176608 952833242 /nfs/dbraw/zinc/83/32/42/952833242.db2.gz VSAKJOMIAMTSBK-VXGBXAGGSA-N -1 3 381.400 0.456 20 0 GCADHM O=C(N[C@@H]1CCC[C@@H](NC(=O)c2ccncn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571176608 952833246 /nfs/dbraw/zinc/83/32/46/952833246.db2.gz VSAKJOMIAMTSBK-VXGBXAGGSA-N -1 3 381.400 0.456 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001571176573 952833746 /nfs/dbraw/zinc/83/37/46/952833746.db2.gz UZSVQOPTAGVRMD-GYSYKLTISA-N -1 3 381.400 0.104 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001571176573 952833752 /nfs/dbraw/zinc/83/37/52/952833752.db2.gz UZSVQOPTAGVRMD-GYSYKLTISA-N -1 3 381.400 0.104 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nc2)[nH]1 ZINC001571176557 952833841 /nfs/dbraw/zinc/83/38/41/952833841.db2.gz UUXMLADWLHOVRM-LLVKDONJSA-N -1 3 381.400 0.405 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)[nH]1 ZINC001571176557 952833845 /nfs/dbraw/zinc/83/38/45/952833845.db2.gz UUXMLADWLHOVRM-LLVKDONJSA-N -1 3 381.400 0.405 20 0 GCADHM Cc1nccc(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571176617 952834287 /nfs/dbraw/zinc/83/42/87/952834287.db2.gz WFMOQNBDZBLELC-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1nccc(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571176617 952834289 /nfs/dbraw/zinc/83/42/89/952834289.db2.gz WFMOQNBDZBLELC-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1ccnc(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571176672 952834418 /nfs/dbraw/zinc/83/44/18/952834418.db2.gz XCJRLUAPIQAANW-UHFFFAOYSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571176672 952834423 /nfs/dbraw/zinc/83/44/23/952834423.db2.gz XCJRLUAPIQAANW-UHFFFAOYSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ncncc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571176627 952835076 /nfs/dbraw/zinc/83/50/76/952835076.db2.gz WKDDWYMSYWWLTI-MFKMUULPSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ncncc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571176627 952835080 /nfs/dbraw/zinc/83/50/80/952835080.db2.gz WKDDWYMSYWWLTI-MFKMUULPSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ncncc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571176874 952836011 /nfs/dbraw/zinc/83/60/11/952836011.db2.gz YXZIJPMQQSMAJL-VIFPVBQESA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ncncc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571176874 952836018 /nfs/dbraw/zinc/83/60/18/952836018.db2.gz YXZIJPMQQSMAJL-VIFPVBQESA-N -1 3 381.400 0.184 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571178302 952839622 /nfs/dbraw/zinc/83/96/22/952839622.db2.gz FQMJZSBFKDISKY-LLVKDONJSA-N -1 3 381.400 0.452 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571178302 952839628 /nfs/dbraw/zinc/83/96/28/952839628.db2.gz FQMJZSBFKDISKY-LLVKDONJSA-N -1 3 381.400 0.452 20 0 GCADHM O=C(c1cnn2c1OCCC2)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571178497 952842339 /nfs/dbraw/zinc/84/23/39/952842339.db2.gz KSNOWONOMZYXQH-LBPRGKRZSA-N -1 3 381.400 0.567 20 0 GCADHM O=C(c1cnn2c1OCCC2)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571178497 952842345 /nfs/dbraw/zinc/84/23/45/952842345.db2.gz KSNOWONOMZYXQH-LBPRGKRZSA-N -1 3 381.400 0.567 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571179904 952856044 /nfs/dbraw/zinc/85/60/44/952856044.db2.gz JYNAKCPTYMKTPQ-FHHLKCNUSA-N -1 3 381.440 0.818 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571179904 952856048 /nfs/dbraw/zinc/85/60/48/952856048.db2.gz JYNAKCPTYMKTPQ-FHHLKCNUSA-N -1 3 381.440 0.818 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001571180254 952858810 /nfs/dbraw/zinc/85/88/10/952858810.db2.gz NOGBMLJEAFCAFO-KRWDZBQOSA-N -1 3 381.440 0.836 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001571180254 952858813 /nfs/dbraw/zinc/85/88/13/952858813.db2.gz NOGBMLJEAFCAFO-KRWDZBQOSA-N -1 3 381.440 0.836 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC001571181008 952862332 /nfs/dbraw/zinc/86/23/32/952862332.db2.gz SWZNGRYUGIEGAP-INIZCTEOSA-N -1 3 381.440 0.556 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC001571181008 952862338 /nfs/dbraw/zinc/86/23/38/952862338.db2.gz SWZNGRYUGIEGAP-INIZCTEOSA-N -1 3 381.440 0.556 20 0 GCADHM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1C[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001571181431 952864248 /nfs/dbraw/zinc/86/42/48/952864248.db2.gz WXJTVEHHNJVAIL-POPZOMSYSA-N -1 3 381.440 0.914 20 0 GCADHM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571181431 952864254 /nfs/dbraw/zinc/86/42/54/952864254.db2.gz WXJTVEHHNJVAIL-POPZOMSYSA-N -1 3 381.440 0.914 20 0 GCADHM COCCN1Cc2ccccc2C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571182961 952871641 /nfs/dbraw/zinc/87/16/41/952871641.db2.gz KUPRHSKRFYGKIA-INIZCTEOSA-N -1 3 381.440 0.998 20 0 GCADHM CCc1c[nH]c(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571183477 952878663 /nfs/dbraw/zinc/87/86/63/952878663.db2.gz BEJRXMLZYOKKJA-CYBMUJFWSA-N -1 3 381.444 0.875 20 0 GCADHM CCc1c[nH]c(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571183477 952878667 /nfs/dbraw/zinc/87/86/67/952878667.db2.gz BEJRXMLZYOKKJA-CYBMUJFWSA-N -1 3 381.444 0.875 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571184175 952889242 /nfs/dbraw/zinc/88/92/42/952889242.db2.gz SOVHFJDDAFAHRX-JSGCOSHPSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571184175 952889246 /nfs/dbraw/zinc/88/92/46/952889246.db2.gz SOVHFJDDAFAHRX-JSGCOSHPSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571184298 952891095 /nfs/dbraw/zinc/89/10/95/952891095.db2.gz VSZZBSMOHCXXSC-JSGCOSHPSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571184298 952891098 /nfs/dbraw/zinc/89/10/98/952891098.db2.gz VSZZBSMOHCXXSC-JSGCOSHPSA-N -1 3 381.444 0.887 20 0 GCADHM CCn1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)[C@@H]2C)cn1 ZINC001571185071 952900225 /nfs/dbraw/zinc/90/02/25/952900225.db2.gz IGRZLGUPCIDWSH-DOMZBBRYSA-N -1 3 381.444 0.804 20 0 GCADHM CCn1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)[C@@H]2C)cn1 ZINC001571185071 952900226 /nfs/dbraw/zinc/90/02/26/952900226.db2.gz IGRZLGUPCIDWSH-DOMZBBRYSA-N -1 3 381.444 0.804 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)Cc2cncn2C)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571185612 952903414 /nfs/dbraw/zinc/90/34/14/952903414.db2.gz NYGCGZFOWFOZJY-ZDUSSCGKSA-N -1 3 381.444 0.523 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)Cc2cncn2C)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571185612 952903417 /nfs/dbraw/zinc/90/34/17/952903417.db2.gz NYGCGZFOWFOZJY-ZDUSSCGKSA-N -1 3 381.444 0.523 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(CNC(=O)c3ccn(C)n3)CC2)n1 ZINC001571188177 952912795 /nfs/dbraw/zinc/91/27/95/952912795.db2.gz HKRLWLVZZYRFLG-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(CNC(=O)c3ccn(C)n3)CC2)n1 ZINC001571188177 952912796 /nfs/dbraw/zinc/91/27/96/952912796.db2.gz HKRLWLVZZYRFLG-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM C[C@H](O)C(C)(C)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571189016 952922551 /nfs/dbraw/zinc/92/25/51/952922551.db2.gz MDUMVZNSVATSSZ-NSHDSACASA-N -1 3 381.458 0.305 20 0 GCADHM Cc1ccc(CNC(=O)NCC(C)(C)CS(N)(=O)=O)cc1-c1nnn[n-]1 ZINC001571188973 952923060 /nfs/dbraw/zinc/92/30/60/952923060.db2.gz LCGOYTVDYQVCEE-UHFFFAOYSA-N -1 3 381.462 0.289 20 0 GCADHM Cc1ccc(CNC(=O)NCC(C)(C)CS(N)(=O)=O)cc1-c1nn[n-]n1 ZINC001571188973 952923062 /nfs/dbraw/zinc/92/30/62/952923062.db2.gz LCGOYTVDYQVCEE-UHFFFAOYSA-N -1 3 381.462 0.289 20 0 GCADHM Cc1nn(C)cc1CC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)[C@@H]1C ZINC001571189294 952928015 /nfs/dbraw/zinc/92/80/15/952928015.db2.gz PGRNNIQOQZXFNT-DOMZBBRYSA-N -1 3 381.444 0.630 20 0 GCADHM Cc1nn(C)cc1CC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)[C@@H]1C ZINC001571189294 952928018 /nfs/dbraw/zinc/92/80/18/952928018.db2.gz PGRNNIQOQZXFNT-DOMZBBRYSA-N -1 3 381.444 0.630 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 ZINC001571189510 952930374 /nfs/dbraw/zinc/93/03/74/952930374.db2.gz WMSHAICZZSXWDR-ZDUSSCGKSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 ZINC001571189510 952930381 /nfs/dbraw/zinc/93/03/81/952930381.db2.gz WMSHAICZZSXWDR-ZDUSSCGKSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](C)[C@H](NC(=O)[C@H](C)n3cccn3)C2)n1 ZINC001571189559 952930920 /nfs/dbraw/zinc/93/09/20/952930920.db2.gz XJSIJYIVPMPXFG-OSAQELSMSA-N -1 3 381.444 0.969 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](C)[C@H](NC(=O)[C@H](C)n3cccn3)C2)n1 ZINC001571189559 952930925 /nfs/dbraw/zinc/93/09/25/952930925.db2.gz XJSIJYIVPMPXFG-OSAQELSMSA-N -1 3 381.444 0.969 20 0 GCADHM Cc1cnn(CC(=O)N2CCCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)c1 ZINC001571189614 952932392 /nfs/dbraw/zinc/93/23/92/952932392.db2.gz YNTMDODIXCHWDB-UHFFFAOYSA-N -1 3 381.444 0.814 20 0 GCADHM Cc1cnn(CC(=O)N2CCCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)c1 ZINC001571189614 952932397 /nfs/dbraw/zinc/93/23/97/952932397.db2.gz YNTMDODIXCHWDB-UHFFFAOYSA-N -1 3 381.444 0.814 20 0 GCADHM Cc1nccn1CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571189842 952935972 /nfs/dbraw/zinc/93/59/72/952935972.db2.gz XDFNWFBNUNNVMW-UHFFFAOYSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1nccn1CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571189842 952935975 /nfs/dbraw/zinc/93/59/75/952935975.db2.gz XDFNWFBNUNNVMW-UHFFFAOYSA-N -1 3 381.444 0.894 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1cc(C2CC2)on1 ZINC001571193921 952954173 /nfs/dbraw/zinc/95/41/73/952954173.db2.gz BABZEGHEEAEBHH-KGLIPLIRSA-N -1 3 382.384 0.107 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1cc(C2CC2)on1 ZINC001571193921 952954178 /nfs/dbraw/zinc/95/41/78/952954178.db2.gz BABZEGHEEAEBHH-KGLIPLIRSA-N -1 3 382.384 0.107 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571193907 952954190 /nfs/dbraw/zinc/95/41/90/952954190.db2.gz ATOPDXKDECTUHW-NSHDSACASA-N -1 3 382.384 0.352 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571193907 952954196 /nfs/dbraw/zinc/95/41/96/952954196.db2.gz ATOPDXKDECTUHW-NSHDSACASA-N -1 3 382.384 0.352 20 0 GCADHM COc1ncccc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571193925 952954801 /nfs/dbraw/zinc/95/48/01/952954801.db2.gz BAKAPZQUKDGPJX-SNVBAGLBSA-N -1 3 382.384 0.243 20 0 GCADHM COc1ncccc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571193925 952954807 /nfs/dbraw/zinc/95/48/07/952954807.db2.gz BAKAPZQUKDGPJX-SNVBAGLBSA-N -1 3 382.384 0.243 20 0 GCADHM O=C(N[C@@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1)C(F)F ZINC001571193992 952955356 /nfs/dbraw/zinc/95/53/56/952955356.db2.gz DEWNKJZMYFCUAR-JTQLQIEISA-N -1 3 382.346 0.730 20 0 GCADHM O=C(N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1)C(F)F ZINC001571193992 952955363 /nfs/dbraw/zinc/95/53/63/952955363.db2.gz DEWNKJZMYFCUAR-JTQLQIEISA-N -1 3 382.346 0.730 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1conc1C1CC1 ZINC001571193947 952955560 /nfs/dbraw/zinc/95/55/60/952955560.db2.gz BKSOSSLXIHPQMQ-KGLIPLIRSA-N -1 3 382.384 0.107 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1conc1C1CC1 ZINC001571193947 952955565 /nfs/dbraw/zinc/95/55/65/952955565.db2.gz BKSOSSLXIHPQMQ-KGLIPLIRSA-N -1 3 382.384 0.107 20 0 GCADHM C[C@H](NC(=O)c1cccc(=O)[nH]1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571194006 952955572 /nfs/dbraw/zinc/95/55/72/952955572.db2.gz DUFBZTQKORELME-VIFPVBQESA-N -1 3 382.384 0.186 20 0 GCADHM C[C@H](NC(=O)c1cccc(=O)[nH]1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571194006 952955576 /nfs/dbraw/zinc/95/55/76/952955576.db2.gz DUFBZTQKORELME-VIFPVBQESA-N -1 3 382.384 0.186 20 0 GCADHM O=C(N[C@@H]1C[C@H](NC(=O)c2cnco2)C12CCC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194076 952956438 /nfs/dbraw/zinc/95/64/38/952956438.db2.gz FRRLKAPTSUKWGF-OLZOCXBDSA-N -1 3 382.384 0.654 20 0 GCADHM O=C(N[C@@H]1C[C@H](NC(=O)c2cnco2)C12CCC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194076 952956445 /nfs/dbraw/zinc/95/64/45/952956445.db2.gz FRRLKAPTSUKWGF-OLZOCXBDSA-N -1 3 382.384 0.654 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2cnco2)C12CCC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194081 952956458 /nfs/dbraw/zinc/95/64/58/952956458.db2.gz FRRLKAPTSUKWGF-STQMWFEESA-N -1 3 382.384 0.654 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2cnco2)C12CCC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194081 952956463 /nfs/dbraw/zinc/95/64/63/952956463.db2.gz FRRLKAPTSUKWGF-STQMWFEESA-N -1 3 382.384 0.654 20 0 GCADHM COc1cc(=O)[nH]cc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571194048 952957135 /nfs/dbraw/zinc/95/71/35/952957135.db2.gz FIAGXSPOKXVCPI-XYPYZODXSA-N -1 3 382.384 0.744 20 0 GCADHM COc1cc(=O)[nH]cc1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571194048 952957138 /nfs/dbraw/zinc/95/71/38/952957138.db2.gz FIAGXSPOKXVCPI-XYPYZODXSA-N -1 3 382.384 0.744 20 0 GCADHM O=C(NCC1CC(NC(=O)c2cccc(=O)[nH]2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194127 952958624 /nfs/dbraw/zinc/95/86/24/952958624.db2.gz GSWJMBGWNSOPEY-UHFFFAOYSA-N -1 3 382.384 0.234 20 0 GCADHM O=C(NCC1CC(NC(=O)c2cccc(=O)[nH]2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194127 952958631 /nfs/dbraw/zinc/95/86/31/952958631.db2.gz GSWJMBGWNSOPEY-UHFFFAOYSA-N -1 3 382.384 0.234 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)no1 ZINC001571194328 952960728 /nfs/dbraw/zinc/96/07/28/952960728.db2.gz KMOUXROVBPPTFN-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)no1 ZINC001571194328 952960732 /nfs/dbraw/zinc/96/07/32/952960732.db2.gz KMOUXROVBPPTFN-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnco1)C2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194286 952960973 /nfs/dbraw/zinc/96/09/73/952960973.db2.gz JQXALZAQUOOPPK-DLOVCJGASA-N -1 3 382.384 0.606 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnco1)C2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194286 952960977 /nfs/dbraw/zinc/96/09/77/952960977.db2.gz JQXALZAQUOOPPK-DLOVCJGASA-N -1 3 382.384 0.606 20 0 GCADHM C[C@H](NC(=O)c1cc[nH]c(=O)c1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194284 952961207 /nfs/dbraw/zinc/96/12/07/952961207.db2.gz JQTDKWVWPPULDL-VIFPVBQESA-N -1 3 382.384 0.186 20 0 GCADHM C[C@H](NC(=O)c1cc[nH]c(=O)c1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194284 952961211 /nfs/dbraw/zinc/96/12/11/952961211.db2.gz JQTDKWVWPPULDL-VIFPVBQESA-N -1 3 382.384 0.186 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C(=O)c2conc2C2CC2)CC1 ZINC001571194341 952961526 /nfs/dbraw/zinc/96/15/26/952961526.db2.gz KQGUDPALXNAKHG-UHFFFAOYSA-N -1 3 382.384 0.658 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C(=O)c2conc2C2CC2)CC1 ZINC001571194341 952961531 /nfs/dbraw/zinc/96/15/31/952961531.db2.gz KQGUDPALXNAKHG-UHFFFAOYSA-N -1 3 382.384 0.658 20 0 GCADHM NC(=O)c1cc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)co1 ZINC001571194436 952963076 /nfs/dbraw/zinc/96/30/76/952963076.db2.gz MPWVHLPIJVBYDE-UHFFFAOYSA-N -1 3 382.384 0.352 20 0 GCADHM NC(=O)c1cc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)co1 ZINC001571194436 952963079 /nfs/dbraw/zinc/96/30/79/952963079.db2.gz MPWVHLPIJVBYDE-UHFFFAOYSA-N -1 3 382.384 0.352 20 0 GCADHM C[C@@]12CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]1CN(C(=O)c1cnco1)C2 ZINC001571194660 952967348 /nfs/dbraw/zinc/96/73/48/952967348.db2.gz PXRNLWIXGTWUBI-DIFFPNOSSA-N -1 3 382.384 0.417 20 0 GCADHM C[C@@]12CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]1CN(C(=O)c1cnco1)C2 ZINC001571194660 952967357 /nfs/dbraw/zinc/96/73/57/952967357.db2.gz PXRNLWIXGTWUBI-DIFFPNOSSA-N -1 3 382.384 0.417 20 0 GCADHM COC(=O)c1cnc(C(=O)Nc2ncc3c(c2-c2nnn[n-]2)COCC3)cn1 ZINC001571194848 952969399 /nfs/dbraw/zinc/96/93/99/952969399.db2.gz SWUZHMKIFRRJIK-UHFFFAOYSA-N -1 3 382.340 0.163 20 0 GCADHM COC(=O)c1cnc(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)cn1 ZINC001571194848 952969401 /nfs/dbraw/zinc/96/94/01/952969401.db2.gz SWUZHMKIFRRJIK-UHFFFAOYSA-N -1 3 382.340 0.163 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1noc2c1COCC2 ZINC001571194879 952969830 /nfs/dbraw/zinc/96/98/30/952969830.db2.gz URPLKLTZZMDUAP-NSHDSACASA-N -1 3 382.384 0.331 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1noc2c1COCC2 ZINC001571194879 952969837 /nfs/dbraw/zinc/96/98/37/952969837.db2.gz URPLKLTZZMDUAP-NSHDSACASA-N -1 3 382.384 0.331 20 0 GCADHM O=C(NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cccc(=O)[nH]1 ZINC001571194830 952969980 /nfs/dbraw/zinc/96/99/80/952969980.db2.gz SELQMKNADOWOSA-UHFFFAOYSA-N -1 3 382.384 0.330 20 0 GCADHM O=C(NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cccc(=O)[nH]1 ZINC001571194830 952969982 /nfs/dbraw/zinc/96/99/82/952969982.db2.gz SELQMKNADOWOSA-UHFFFAOYSA-N -1 3 382.384 0.330 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(C(=O)c1ccon1)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571195048 952972699 /nfs/dbraw/zinc/97/26/99/952972699.db2.gz XAAUFWQPFVMOFW-CXAGYDPISA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(C(=O)c1ccon1)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571195048 952972702 /nfs/dbraw/zinc/97/27/02/952972702.db2.gz XAAUFWQPFVMOFW-CXAGYDPISA-N -1 3 382.384 0.750 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)Cc1ccc[nH]1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571198504 952991273 /nfs/dbraw/zinc/99/12/73/952991273.db2.gz AFQDKERWEDJSIM-ZDUSSCGKSA-N -1 3 382.428 0.829 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)Cc1ccc[nH]1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571198504 952991280 /nfs/dbraw/zinc/99/12/80/952991280.db2.gz AFQDKERWEDJSIM-ZDUSSCGKSA-N -1 3 382.428 0.829 20 0 GCADHM COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571198729 952992388 /nfs/dbraw/zinc/99/23/88/952992388.db2.gz FASGARZBQHGYSM-IAQYHMDHSA-N -1 3 382.428 0.849 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001571199047 952996671 /nfs/dbraw/zinc/99/66/71/952996671.db2.gz KNHIYVCGKWCDJQ-CQSZACIVSA-N -1 3 382.428 0.613 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001571199064 952996915 /nfs/dbraw/zinc/99/69/15/952996915.db2.gz KTEUYVNWLSZNFP-LSDHHAIUSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001571199064 952996927 /nfs/dbraw/zinc/99/69/27/952996927.db2.gz KTEUYVNWLSZNFP-LSDHHAIUSA-N -1 3 382.428 0.576 20 0 GCADHM CCn1cccc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571199222 952998143 /nfs/dbraw/zinc/99/81/43/952998143.db2.gz NPOSVBHSGIHYFL-NSHDSACASA-N -1 3 382.428 0.907 20 0 GCADHM CCn1cccc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571199222 952998151 /nfs/dbraw/zinc/99/81/51/952998151.db2.gz NPOSVBHSGIHYFL-NSHDSACASA-N -1 3 382.428 0.907 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)ccn1C ZINC001571199263 952998214 /nfs/dbraw/zinc/99/82/14/952998214.db2.gz OSGNXESRWWKDSI-DGCLKSJQSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)ccn1C ZINC001571199263 952998217 /nfs/dbraw/zinc/99/82/17/952998217.db2.gz OSGNXESRWWKDSI-DGCLKSJQSA-N -1 3 382.428 0.875 20 0 GCADHM CCn1cccc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571199221 952998325 /nfs/dbraw/zinc/99/83/25/952998325.db2.gz NPOSVBHSGIHYFL-LLVKDONJSA-N -1 3 382.428 0.907 20 0 GCADHM CCn1cccc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571199221 952998331 /nfs/dbraw/zinc/99/83/31/952998331.db2.gz NPOSVBHSGIHYFL-LLVKDONJSA-N -1 3 382.428 0.907 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cccc1 ZINC001571199450 952999331 /nfs/dbraw/zinc/99/93/31/952999331.db2.gz RLIGHXZZDJOPJC-OCCSQVGLSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cccc1 ZINC001571199450 952999335 /nfs/dbraw/zinc/99/93/35/952999335.db2.gz RLIGHXZZDJOPJC-OCCSQVGLSA-N -1 3 382.428 0.806 20 0 GCADHM COc1cccc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571199301 952999728 /nfs/dbraw/zinc/99/97/28/952999728.db2.gz PGZIKABGODOFGW-CQSZACIVSA-N -1 3 382.428 0.993 20 0 GCADHM COc1cccc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571199301 952999734 /nfs/dbraw/zinc/99/97/34/952999734.db2.gz PGZIKABGODOFGW-CQSZACIVSA-N -1 3 382.428 0.993 20 0 GCADHM Cc1n[nH]cc1C(=O)NC[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001571199480 953000319 /nfs/dbraw/zinc/00/03/19/953000319.db2.gz SLVSZPVWHXXVGG-OAHLLOKOSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1n[nH]cc1C(=O)NC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001571199480 953000323 /nfs/dbraw/zinc/00/03/23/953000323.db2.gz SLVSZPVWHXXVGG-OAHLLOKOSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1n[nH]cc1C(=O)NC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001571199479 953000467 /nfs/dbraw/zinc/00/04/67/953000467.db2.gz SLVSZPVWHXXVGG-HNNXBMFYSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1n[nH]cc1C(=O)NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001571199479 953000471 /nfs/dbraw/zinc/00/04/71/953000471.db2.gz SLVSZPVWHXXVGG-HNNXBMFYSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)ccn1C ZINC001571199609 953001706 /nfs/dbraw/zinc/00/17/06/953001706.db2.gz WNLJIESWYMACEM-CABCVRRESA-N -1 3 382.428 0.278 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)ccn1C ZINC001571199609 953001708 /nfs/dbraw/zinc/00/17/08/953001708.db2.gz WNLJIESWYMACEM-CABCVRRESA-N -1 3 382.428 0.278 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)ccn1C ZINC001571199610 953002220 /nfs/dbraw/zinc/00/22/20/953002220.db2.gz WNLJIESWYMACEM-GJZGRUSLSA-N -1 3 382.428 0.278 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)ccn1C ZINC001571199610 953002222 /nfs/dbraw/zinc/00/22/22/953002222.db2.gz WNLJIESWYMACEM-GJZGRUSLSA-N -1 3 382.428 0.278 20 0 GCADHM COc1ccc(CN2CC(NC(=O)Cc3[nH]cnc3C)C2)cc1-c1nn[n-]n1 ZINC001571199582 953002234 /nfs/dbraw/zinc/00/22/34/953002234.db2.gz VXGVRWYYZVHNPW-UHFFFAOYSA-N -1 3 382.428 0.450 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1NC(=O)c1c[nH]cc1C ZINC001571199688 953003118 /nfs/dbraw/zinc/00/31/18/953003118.db2.gz ZGICTCFFBIOFNU-HUUCEWRRSA-N -1 3 382.428 0.840 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1NC(=O)c1c[nH]cc1C ZINC001571199688 953003125 /nfs/dbraw/zinc/00/31/25/953003125.db2.gz ZGICTCFFBIOFNU-HUUCEWRRSA-N -1 3 382.428 0.840 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(C(=O)CCn2cccc2)C1 ZINC001571199753 953004390 /nfs/dbraw/zinc/00/43/90/953004390.db2.gz BEZKWZZJKAAVRD-GFCCVEGCSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)CCn2cccc2)C1 ZINC001571199753 953004395 /nfs/dbraw/zinc/00/43/95/953004395.db2.gz BEZKWZZJKAAVRD-GFCCVEGCSA-N -1 3 382.428 0.663 20 0 GCADHM O=C(Cc1cnc[nH]1)N1C[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2C1 ZINC001571199791 953005714 /nfs/dbraw/zinc/00/57/14/953005714.db2.gz CFXFVVZXCBEPMM-TXEJJXNPSA-N -1 3 382.403 0.866 20 0 GCADHM O=C(Cc1cnc[nH]1)N1C[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2C1 ZINC001571199791 953005722 /nfs/dbraw/zinc/00/57/22/953005722.db2.gz CFXFVVZXCBEPMM-TXEJJXNPSA-N -1 3 382.403 0.866 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571201968 953022161 /nfs/dbraw/zinc/02/21/61/953022161.db2.gz UFLOADIFAVNUJI-NSHDSACASA-N -1 3 382.421 0.495 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571201968 953022164 /nfs/dbraw/zinc/02/21/64/953022164.db2.gz UFLOADIFAVNUJI-NSHDSACASA-N -1 3 382.421 0.495 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571202128 953023207 /nfs/dbraw/zinc/02/32/07/953023207.db2.gz RDSLPIJVAJFLMT-GJZGRUSLSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571202128 953023209 /nfs/dbraw/zinc/02/32/09/953023209.db2.gz RDSLPIJVAJFLMT-GJZGRUSLSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC001571202455 953025455 /nfs/dbraw/zinc/02/54/55/953025455.db2.gz XMTSDCYJNZDBFS-CABCVRRESA-N -1 3 382.428 0.464 20 0 GCADHM CCc1c[nH]c(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)n1 ZINC001571204532 953030292 /nfs/dbraw/zinc/03/02/92/953030292.db2.gz AHKOLXMVERXXEZ-PWSUYJOCSA-N -1 3 382.432 0.586 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2cnn(C)c2N)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571204866 953033580 /nfs/dbraw/zinc/03/35/80/953033580.db2.gz DHZHHPDXWJNQIA-CMPLNLGQSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2cnn(C)c2N)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571204866 953033586 /nfs/dbraw/zinc/03/35/86/953033586.db2.gz DHZHHPDXWJNQIA-CMPLNLGQSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001571205140 953035731 /nfs/dbraw/zinc/03/57/31/953035731.db2.gz GHQQXTLJOLHFMS-OLZOCXBDSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001571205140 953035739 /nfs/dbraw/zinc/03/57/39/953035739.db2.gz GHQQXTLJOLHFMS-OLZOCXBDSA-N -1 3 382.432 0.592 20 0 GCADHM CCCc1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571205138 953035872 /nfs/dbraw/zinc/03/58/72/953035872.db2.gz FZQNMQMJRZKSON-YGRLFVJLSA-N -1 3 382.432 0.905 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001571205139 953036557 /nfs/dbraw/zinc/03/65/57/953036557.db2.gz GHQQXTLJOLHFMS-CHWSQXEVSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001571205139 953036560 /nfs/dbraw/zinc/03/65/60/953036560.db2.gz GHQQXTLJOLHFMS-CHWSQXEVSA-N -1 3 382.432 0.592 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2cc[nH]n2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571205464 953039134 /nfs/dbraw/zinc/03/91/34/953039134.db2.gz JLQSLVSRKHIQPS-WCQYABFASA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571205648 953040507 /nfs/dbraw/zinc/04/05/07/953040507.db2.gz MJHFWKNCOOARQF-ZYHUDNBSSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571205648 953040510 /nfs/dbraw/zinc/04/05/10/953040510.db2.gz MJHFWKNCOOARQF-ZYHUDNBSSA-N -1 3 382.432 0.616 20 0 GCADHM Cn1nccc1C1(O)CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571205764 953042256 /nfs/dbraw/zinc/04/22/56/953042256.db2.gz LSIIMSPJTXLOLF-HNNXBMFYSA-N -1 3 382.428 0.110 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nc3)C2)nnn1C ZINC001571205829 953042297 /nfs/dbraw/zinc/04/22/97/953042297.db2.gz BQOCXQUNEUWDBQ-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nc3)C2)nnn1C ZINC001571205829 953042301 /nfs/dbraw/zinc/04/23/01/953042301.db2.gz BQOCXQUNEUWDBQ-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1c(C(=O)N[C@H]2CC[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)nnn1C ZINC001571205865 953043537 /nfs/dbraw/zinc/04/35/37/953043537.db2.gz CLZORAUSDVRDOG-NEPJUHHUSA-N -1 3 382.432 0.709 20 0 GCADHM Cc1c(C(=O)N[C@H]2CC[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)nnn1C ZINC001571205865 953043542 /nfs/dbraw/zinc/04/35/42/953043542.db2.gz CLZORAUSDVRDOG-NEPJUHHUSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571205956 953044784 /nfs/dbraw/zinc/04/47/84/953044784.db2.gz OXESJJJYKSHNFX-DGCLKSJQSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571205956 953044785 /nfs/dbraw/zinc/04/47/85/953044785.db2.gz OXESJJJYKSHNFX-DGCLKSJQSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CN(C(=O)Cn2ccnc2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571205989 953045088 /nfs/dbraw/zinc/04/50/88/953045088.db2.gz QEPCWDOWESCWRP-STQMWFEESA-N -1 3 382.432 0.450 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571206118 953046752 /nfs/dbraw/zinc/04/67/52/953046752.db2.gz MMEPIUPSCKTZKM-HAQNSBGRSA-N -1 3 382.432 0.981 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571206118 953046756 /nfs/dbraw/zinc/04/67/56/953046756.db2.gz MMEPIUPSCKTZKM-HAQNSBGRSA-N -1 3 382.432 0.981 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571206144 953047492 /nfs/dbraw/zinc/04/74/92/953047492.db2.gz DPWLNOWXPXFAQP-RYUDHWBXSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571206144 953047495 /nfs/dbraw/zinc/04/74/95/953047495.db2.gz DPWLNOWXPXFAQP-RYUDHWBXSA-N -1 3 382.432 0.836 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N(C)[C@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)n1 ZINC001571206262 953048948 /nfs/dbraw/zinc/04/89/48/953048948.db2.gz FEGMMXYKQIGYFN-ZDUSSCGKSA-N -1 3 382.432 0.358 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)n1 ZINC001571206262 953048954 /nfs/dbraw/zinc/04/89/54/953048954.db2.gz FEGMMXYKQIGYFN-ZDUSSCGKSA-N -1 3 382.432 0.358 20 0 GCADHM O=C(c1ccc[nH]1)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571206252 953049126 /nfs/dbraw/zinc/04/91/26/953049126.db2.gz NQCRDTQCJNURRY-AWEZNQCLSA-N -1 3 382.428 0.693 20 0 GCADHM O=C(c1ccc[nH]1)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571206252 953049130 /nfs/dbraw/zinc/04/91/30/953049130.db2.gz NQCRDTQCJNURRY-AWEZNQCLSA-N -1 3 382.428 0.693 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@@H]1NC(=O)Cc1c[nH]cn1 ZINC001571206240 953049636 /nfs/dbraw/zinc/04/96/36/953049636.db2.gz SNKMOVZZTFDPBL-ZDUSSCGKSA-N -1 3 382.432 0.344 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@@H]1NC(=O)Cc1c[nH]cn1 ZINC001571206240 953049641 /nfs/dbraw/zinc/04/96/41/953049641.db2.gz SNKMOVZZTFDPBL-ZDUSSCGKSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1c[nH]cn1 ZINC001571206338 953050133 /nfs/dbraw/zinc/05/01/33/953050133.db2.gz UCBSNWVCHOVZDE-NWDGAFQWSA-N -1 3 382.432 0.804 20 0 GCADHM Cc1c(C(=O)N2CCC[C@@H](N(C)c3ncccc3-c3nnn[n-]3)C2)nnn1C ZINC001571206332 953050472 /nfs/dbraw/zinc/05/04/72/953050472.db2.gz FPPKOQNCZVDEMM-GFCCVEGCSA-N -1 3 382.432 0.440 20 0 GCADHM Cc1c(C(=O)N2CCC[C@@H](N(C)c3ncccc3-c3nn[n-]n3)C2)nnn1C ZINC001571206332 953050475 /nfs/dbraw/zinc/05/04/75/953050475.db2.gz FPPKOQNCZVDEMM-GFCCVEGCSA-N -1 3 382.432 0.440 20 0 GCADHM CCn1nc(C)c(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571206400 953050787 /nfs/dbraw/zinc/05/07/87/953050787.db2.gz GJRQEVLDMLTVPI-UHFFFAOYSA-N -1 3 382.432 0.802 20 0 GCADHM CCn1nc(C)c(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571206400 953050792 /nfs/dbraw/zinc/05/07/92/953050792.db2.gz GJRQEVLDMLTVPI-UHFFFAOYSA-N -1 3 382.432 0.802 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)n1 ZINC001571206681 953053894 /nfs/dbraw/zinc/05/38/94/953053894.db2.gz IXLYPSFGHBDFLU-NEPJUHHUSA-N -1 3 382.432 0.978 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)n1 ZINC001571206681 953053900 /nfs/dbraw/zinc/05/39/00/953053900.db2.gz IXLYPSFGHBDFLU-NEPJUHHUSA-N -1 3 382.432 0.978 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001571206655 953054163 /nfs/dbraw/zinc/05/41/63/953054163.db2.gz VWDSSDQIZZWOPQ-NEPJUHHUSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001571206655 953054164 /nfs/dbraw/zinc/05/41/64/953054164.db2.gz VWDSSDQIZZWOPQ-NEPJUHHUSA-N -1 3 382.432 0.743 20 0 GCADHM CN(C(=O)c1cncn1C)C1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571206738 953055096 /nfs/dbraw/zinc/05/50/96/953055096.db2.gz KACDITCOWWUDJX-UHFFFAOYSA-N -1 3 382.432 0.886 20 0 GCADHM CN(C(=O)c1cncn1C)C1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571206738 953055098 /nfs/dbraw/zinc/05/50/98/953055098.db2.gz KACDITCOWWUDJX-UHFFFAOYSA-N -1 3 382.432 0.886 20 0 GCADHM CCn1cc(CC(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571206758 953055314 /nfs/dbraw/zinc/05/53/14/953055314.db2.gz KNLSWFVBCUPRRS-DGCLKSJQSA-N -1 3 382.432 0.375 20 0 GCADHM CCn1cc(CC(=O)N2C[C@@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571206758 953055319 /nfs/dbraw/zinc/05/53/19/953055319.db2.gz KNLSWFVBCUPRRS-DGCLKSJQSA-N -1 3 382.432 0.375 20 0 GCADHM CCn1ccnc1C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571206746 953055402 /nfs/dbraw/zinc/05/54/02/953055402.db2.gz KGUWEGQJORSARZ-ZWNOBZJWSA-N -1 3 382.432 0.754 20 0 GCADHM CCn1ccnc1C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571206746 953055406 /nfs/dbraw/zinc/05/54/06/953055406.db2.gz KGUWEGQJORSARZ-ZWNOBZJWSA-N -1 3 382.432 0.754 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206989 953058013 /nfs/dbraw/zinc/05/80/13/953058013.db2.gz YZQZYCWJCFNRAE-OCCSQVGLSA-N -1 3 382.432 0.592 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001571207073 953058763 /nfs/dbraw/zinc/05/87/63/953058763.db2.gz MMIDMDHMEXSWFM-ZDUSSCGKSA-N -1 3 382.432 0.440 20 0 GCADHM CCn1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)[C@H](C)C2)nn1 ZINC001571207049 953058953 /nfs/dbraw/zinc/05/89/53/953058953.db2.gz MBTSSMSIYUTHTC-NEPJUHHUSA-N -1 3 382.432 0.660 20 0 GCADHM CCn1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)[C@H](C)C2)nn1 ZINC001571207049 953058954 /nfs/dbraw/zinc/05/89/54/953058954.db2.gz MBTSSMSIYUTHTC-NEPJUHHUSA-N -1 3 382.432 0.660 20 0 GCADHM Cn1cnc(C(=O)NC[C@H]2CN(Cc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC001571207167 953059810 /nfs/dbraw/zinc/05/98/10/953059810.db2.gz WOUDBUOUYLQUET-AWEZNQCLSA-N -1 3 382.428 0.231 20 0 GCADHM Cn1cnc(C(=O)NC[C@H]2CN(Cc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC001571207167 953059813 /nfs/dbraw/zinc/05/98/13/953059813.db2.gz WOUDBUOUYLQUET-AWEZNQCLSA-N -1 3 382.428 0.231 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207218 953060985 /nfs/dbraw/zinc/06/09/85/953060985.db2.gz XKEAMKAANKTABG-GFCCVEGCSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207218 953060989 /nfs/dbraw/zinc/06/09/89/953060989.db2.gz XKEAMKAANKTABG-GFCCVEGCSA-N -1 3 382.432 0.690 20 0 GCADHM Cn1cncc1C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571207336 953061779 /nfs/dbraw/zinc/06/17/79/953061779.db2.gz XWZMOXYCPDXLFT-OAHLLOKOSA-N -1 3 382.428 0.231 20 0 GCADHM Cn1cncc1C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571207336 953061780 /nfs/dbraw/zinc/06/17/80/953061780.db2.gz XWZMOXYCPDXLFT-OAHLLOKOSA-N -1 3 382.428 0.231 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001571207559 953064591 /nfs/dbraw/zinc/06/45/91/953064591.db2.gz WUMXSZQXTFTZQH-AAEUAGOBSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001571207559 953064593 /nfs/dbraw/zinc/06/45/93/953064593.db2.gz WUMXSZQXTFTZQH-AAEUAGOBSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1ncc(C(=O)NC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC001571207614 953065174 /nfs/dbraw/zinc/06/51/74/953065174.db2.gz XXPFJGNUMMNXIP-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM CCn1ncc(C(=O)NC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001571207614 953065177 /nfs/dbraw/zinc/06/51/77/953065177.db2.gz XXPFJGNUMMNXIP-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001571207630 953065601 /nfs/dbraw/zinc/06/56/01/953065601.db2.gz YJKFOZUBUGQCOF-JQWIXIFHSA-N -1 3 382.432 0.722 20 0 GCADHM O=C(NCC1CN(Cc2cn(CC3CC3)nn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571209830 953068096 /nfs/dbraw/zinc/06/80/96/953068096.db2.gz GAZUBVXDNDVYAW-UHFFFAOYSA-N -1 3 382.432 0.058 20 0 GCADHM O=C(NCC1CN(Cc2cn(CC3CC3)nn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571209830 953068099 /nfs/dbraw/zinc/06/80/99/953068099.db2.gz GAZUBVXDNDVYAW-UHFFFAOYSA-N -1 3 382.432 0.058 20 0 GCADHM O=C(Cn1ccnc1)N[C@@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571210218 953071263 /nfs/dbraw/zinc/07/12/63/953071263.db2.gz ONGRSDDGPXWAJX-QWHCGFSZSA-N -1 3 382.432 0.640 20 0 GCADHM O=C(CC1(Cn2cnnn2)CCCCC1)NCc1cncc(-c2nnn[n-]2)c1 ZINC001571210231 953071304 /nfs/dbraw/zinc/07/13/04/953071304.db2.gz OZCHYALSKHPJTO-UHFFFAOYSA-N -1 3 382.432 0.905 20 0 GCADHM O=C(CC1(Cn2cnnn2)CCCCC1)NCc1cncc(-c2nn[n-]n2)c1 ZINC001571210231 953071305 /nfs/dbraw/zinc/07/13/05/953071305.db2.gz OZCHYALSKHPJTO-UHFFFAOYSA-N -1 3 382.432 0.905 20 0 GCADHM O=C(CCn1cncn1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571210603 953072741 /nfs/dbraw/zinc/07/27/41/953072741.db2.gz UDQOXSAUILSPKQ-CQSZACIVSA-N -1 3 382.432 0.737 20 0 GCADHM O=C(CCn1cncn1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571210603 953072744 /nfs/dbraw/zinc/07/27/44/953072744.db2.gz UDQOXSAUILSPKQ-CQSZACIVSA-N -1 3 382.432 0.737 20 0 GCADHM Cn1ncnc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571210570 953073097 /nfs/dbraw/zinc/07/30/97/953073097.db2.gz SOCKEYWHAKSRKA-OLZOCXBDSA-N -1 3 382.432 0.202 20 0 GCADHM Cn1ncnc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571210570 953073100 /nfs/dbraw/zinc/07/31/00/953073100.db2.gz SOCKEYWHAKSRKA-OLZOCXBDSA-N -1 3 382.432 0.202 20 0 GCADHM O=C(CCn1cncn1)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571210796 953074509 /nfs/dbraw/zinc/07/45/09/953074509.db2.gz XHEOKYZPTWEXKM-ZDUSSCGKSA-N -1 3 382.432 0.594 20 0 GCADHM O=C(CCn1cncn1)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571210796 953074513 /nfs/dbraw/zinc/07/45/13/953074513.db2.gz XHEOKYZPTWEXKM-ZDUSSCGKSA-N -1 3 382.432 0.594 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571211466 953075988 /nfs/dbraw/zinc/07/59/88/953075988.db2.gz BEVVDFBHDPYIQE-ZANVPECISA-N -1 3 382.432 0.959 20 0 GCADHM Cn1cc(CN2CCCC3(CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)nn1 ZINC001571211472 953077314 /nfs/dbraw/zinc/07/73/14/953077314.db2.gz BIDSQAITBSFPIW-UHFFFAOYSA-N -1 3 382.432 0.062 20 0 GCADHM Cn1cc(CN2CCCC3(CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)C2)nn1 ZINC001571211472 953077319 /nfs/dbraw/zinc/07/73/19/953077319.db2.gz BIDSQAITBSFPIW-UHFFFAOYSA-N -1 3 382.432 0.062 20 0 GCADHM Cn1cnc(CCNC(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)c1 ZINC001571211496 953077668 /nfs/dbraw/zinc/07/76/68/953077668.db2.gz BVEQZUPEHZLQHA-UHFFFAOYSA-N -1 3 382.432 0.070 20 0 GCADHM Cn1cnc(CCNC(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)c1 ZINC001571211496 953077670 /nfs/dbraw/zinc/07/76/70/953077670.db2.gz BVEQZUPEHZLQHA-UHFFFAOYSA-N -1 3 382.432 0.070 20 0 GCADHM Cn1cnnc1CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571211624 953078447 /nfs/dbraw/zinc/07/84/47/953078447.db2.gz CUZIOJRMSVUKLF-ZIAGYGMSSA-N -1 3 382.432 0.202 20 0 GCADHM Cn1cnnc1CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571211624 953078450 /nfs/dbraw/zinc/07/84/50/953078450.db2.gz CUZIOJRMSVUKLF-ZIAGYGMSSA-N -1 3 382.432 0.202 20 0 GCADHM Cn1cnnc1CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571211622 953078939 /nfs/dbraw/zinc/07/89/39/953078939.db2.gz CUZIOJRMSVUKLF-KGLIPLIRSA-N -1 3 382.432 0.202 20 0 GCADHM Cn1cnnc1CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571211622 953078943 /nfs/dbraw/zinc/07/89/43/953078943.db2.gz CUZIOJRMSVUKLF-KGLIPLIRSA-N -1 3 382.432 0.202 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571211635 953079826 /nfs/dbraw/zinc/07/98/26/953079826.db2.gz DFDHMJVECWJTER-WCQYABFASA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571211635 953079829 /nfs/dbraw/zinc/07/98/29/953079829.db2.gz DFDHMJVECWJTER-WCQYABFASA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cncn1CC(=O)N1CC[C@@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571211850 953081537 /nfs/dbraw/zinc/08/15/37/953081537.db2.gz HILIIIMMEBPCCJ-CHWSQXEVSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cncn1CC(=O)N1CC[C@@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571211850 953081542 /nfs/dbraw/zinc/08/15/42/953081542.db2.gz HILIIIMMEBPCCJ-CHWSQXEVSA-N -1 3 382.432 0.511 20 0 GCADHM CC1(C(=O)N2CC[C@@H](N3CCN(c4ccc(-c5nnn[n-]5)nc4)CC3)C2)CC1 ZINC001571212072 953083647 /nfs/dbraw/zinc/08/36/47/953083647.db2.gz IKBSHCZDEKFQPE-OAHLLOKOSA-N -1 3 382.472 0.785 20 0 GCADHM CC1(C(=O)N2CC[C@@H](N3CCN(c4ccc(-c5nn[n-]n5)nc4)CC3)C2)CC1 ZINC001571212072 953083651 /nfs/dbraw/zinc/08/36/51/953083651.db2.gz IKBSHCZDEKFQPE-OAHLLOKOSA-N -1 3 382.472 0.785 20 0 GCADHM Cc1nc(NC[C@@H]2CCCCN2C(=O)c2ncn(C)n2)ccc1-c1nnn[n-]1 ZINC001571212129 953084665 /nfs/dbraw/zinc/08/46/65/953084665.db2.gz JJWMMYPYWPAHOR-LBPRGKRZSA-N -1 3 382.432 0.805 20 0 GCADHM Cc1nc(NC[C@@H]2CCCCN2C(=O)c2ncn(C)n2)ccc1-c1nn[n-]n1 ZINC001571212129 953084672 /nfs/dbraw/zinc/08/46/72/953084672.db2.gz JJWMMYPYWPAHOR-LBPRGKRZSA-N -1 3 382.432 0.805 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571212134 953085507 /nfs/dbraw/zinc/08/55/07/953085507.db2.gz JLIDFIGIYZWCOH-SKDRFNHKSA-N -1 3 382.432 0.784 20 0 GCADHM Cn1ncc(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571212386 953087706 /nfs/dbraw/zinc/08/77/06/953087706.db2.gz NGNUYECFGSXOGS-ZDUSSCGKSA-N -1 3 382.432 0.569 20 0 GCADHM Cn1ncc(C(=O)NC[C@@H]2CCCCCN2c2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571212386 953087710 /nfs/dbraw/zinc/08/77/10/953087710.db2.gz NGNUYECFGSXOGS-ZDUSSCGKSA-N -1 3 382.432 0.569 20 0 GCADHM Cn1cc(C(=O)N2CCCCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571212754 953090163 /nfs/dbraw/zinc/09/01/63/953090163.db2.gz OUOXREASJKCROA-ZDUSSCGKSA-N -1 3 382.432 0.887 20 0 GCADHM Cn1cc(C(=O)N2CCCCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571212754 953090167 /nfs/dbraw/zinc/09/01/67/953090167.db2.gz OUOXREASJKCROA-ZDUSSCGKSA-N -1 3 382.432 0.887 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@@H]2CNc2nc(C)ccc2-c2nnn[n-]2)[nH]1 ZINC001571212799 953090184 /nfs/dbraw/zinc/09/01/84/953090184.db2.gz PEQXQZHBBJUEGQ-GFCCVEGCSA-N -1 3 382.432 0.642 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@@H]2CNc2nc(C)ccc2-c2nn[n-]n2)[nH]1 ZINC001571212799 953090188 /nfs/dbraw/zinc/09/01/88/953090188.db2.gz PEQXQZHBBJUEGQ-GFCCVEGCSA-N -1 3 382.432 0.642 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212840 953090655 /nfs/dbraw/zinc/09/06/55/953090655.db2.gz POTHPRIZEFHDLG-ZDUSSCGKSA-N -1 3 382.432 0.147 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212840 953090660 /nfs/dbraw/zinc/09/06/60/953090660.db2.gz POTHPRIZEFHDLG-ZDUSSCGKSA-N -1 3 382.432 0.147 20 0 GCADHM Cc1cncn1CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571213172 953093230 /nfs/dbraw/zinc/09/32/30/953093230.db2.gz ROQFRMIPVXKYIS-CYBMUJFWSA-N -1 3 382.432 0.289 20 0 GCADHM Cc1cncn1CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571213172 953093233 /nfs/dbraw/zinc/09/32/33/953093233.db2.gz ROQFRMIPVXKYIS-CYBMUJFWSA-N -1 3 382.432 0.289 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571214326 953101947 /nfs/dbraw/zinc/10/19/47/953101947.db2.gz XLMJTIAJHHFWBS-VDNDLQMASA-N -1 3 382.472 0.972 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnccn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571216933 953105739 /nfs/dbraw/zinc/10/57/39/953105739.db2.gz CZUKBTSIOWAKFC-ZWNOBZJWSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnccn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571216933 953105740 /nfs/dbraw/zinc/10/57/40/953105740.db2.gz CZUKBTSIOWAKFC-ZWNOBZJWSA-N -1 3 383.391 0.978 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1cccc(F)c1 ZINC001571217277 953106144 /nfs/dbraw/zinc/10/61/44/953106144.db2.gz HTBZJZGLKYHQHU-GDBMZVCRSA-N -1 3 383.387 0.770 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1cccc(F)c1 ZINC001571217277 953106146 /nfs/dbraw/zinc/10/61/46/953106146.db2.gz HTBZJZGLKYHQHU-GDBMZVCRSA-N -1 3 383.387 0.770 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1O)c1ccncc1F ZINC001571217109 953106540 /nfs/dbraw/zinc/10/65/40/953106540.db2.gz GYGVLFYEQQGZKL-CVEARBPZSA-N -1 3 383.387 0.376 20 0 GCADHM COC(=O)c1cc(C2CN(C(=O)COc3ccccc3-c3nnn[n-]3)C2)[nH]n1 ZINC001571217705 953111000 /nfs/dbraw/zinc/11/10/00/953111000.db2.gz IUNOAWSLDLRRGN-UHFFFAOYSA-N -1 3 383.368 0.381 20 0 GCADHM COC(=O)c1cc(C2CN(C(=O)COc3ccccc3-c3nn[n-]n3)C2)[nH]n1 ZINC001571217705 953111003 /nfs/dbraw/zinc/11/10/03/953111003.db2.gz IUNOAWSLDLRRGN-UHFFFAOYSA-N -1 3 383.368 0.381 20 0 GCADHM Cn1ccc(=O)c(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)c1 ZINC001571218249 953113589 /nfs/dbraw/zinc/11/35/89/953113589.db2.gz UDFIKQREAJYFQA-UHFFFAOYSA-N -1 3 383.387 0.319 20 0 GCADHM Cn1ccc(=O)c(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)c1 ZINC001571218249 953113592 /nfs/dbraw/zinc/11/35/92/953113592.db2.gz UDFIKQREAJYFQA-UHFFFAOYSA-N -1 3 383.387 0.319 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001571218516 953115731 /nfs/dbraw/zinc/11/57/31/953115731.db2.gz ADHUZKKCWKWILU-LBPRGKRZSA-N -1 3 383.409 0.551 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001571218516 953115733 /nfs/dbraw/zinc/11/57/33/953115733.db2.gz ADHUZKKCWKWILU-LBPRGKRZSA-N -1 3 383.409 0.551 20 0 GCADHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001571218527 953116325 /nfs/dbraw/zinc/11/63/25/953116325.db2.gz APZVZGNBUOVNJN-VIFPVBQESA-N -1 3 383.409 0.168 20 0 GCADHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC001571218527 953116329 /nfs/dbraw/zinc/11/63/29/953116329.db2.gz APZVZGNBUOVNJN-VIFPVBQESA-N -1 3 383.409 0.168 20 0 GCADHM Cc1cn(C)nc1C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001571218628 953117218 /nfs/dbraw/zinc/11/72/18/953117218.db2.gz CQRLWWJGPHCKAA-YABSGUDNSA-N -1 3 383.391 0.307 20 0 GCADHM Cc1cn(C)nc1C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001571218628 953117219 /nfs/dbraw/zinc/11/72/19/953117219.db2.gz CQRLWWJGPHCKAA-YABSGUDNSA-N -1 3 383.391 0.307 20 0 GCADHM Cc1cnc(C(=O)NC[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)cn1 ZINC001571218564 953117479 /nfs/dbraw/zinc/11/74/79/953117479.db2.gz BOAVMKNWDHETRK-LLVKDONJSA-N -1 3 383.391 0.756 20 0 GCADHM Cc1cnc(C(=O)NC[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)cn1 ZINC001571218564 953117484 /nfs/dbraw/zinc/11/74/84/953117484.db2.gz BOAVMKNWDHETRK-LLVKDONJSA-N -1 3 383.391 0.756 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnon1 ZINC001571218644 953118283 /nfs/dbraw/zinc/11/82/83/953118283.db2.gz XSBIJJZBYFETMM-PBINXNQUSA-N -1 3 383.372 0.143 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnon1 ZINC001571218644 953118284 /nfs/dbraw/zinc/11/82/84/953118284.db2.gz XSBIJJZBYFETMM-PBINXNQUSA-N -1 3 383.372 0.143 20 0 GCADHM COC(=O)[C@@]1(O)CCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001571218832 953119862 /nfs/dbraw/zinc/11/98/62/953119862.db2.gz RUADDVOIYRNMIE-QGZVFWFLSA-N -1 3 383.368 0.563 20 0 GCADHM COC(=O)[C@@]1(O)CCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001571218832 953119864 /nfs/dbraw/zinc/11/98/64/953119864.db2.gz RUADDVOIYRNMIE-QGZVFWFLSA-N -1 3 383.368 0.563 20 0 GCADHM O=C(NC[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F)c1cnccn1 ZINC001571219218 953124496 /nfs/dbraw/zinc/12/44/96/953124496.db2.gz MIXOIMMGSZNIAV-GFCCVEGCSA-N -1 3 383.391 0.980 20 0 GCADHM O=C(NC[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F)c1cnccn1 ZINC001571219218 953124499 /nfs/dbraw/zinc/12/44/99/953124499.db2.gz MIXOIMMGSZNIAV-GFCCVEGCSA-N -1 3 383.391 0.980 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@H]2CCN(c3ncc(F)cn3)C[C@H]2C1 ZINC001571220017 953128815 /nfs/dbraw/zinc/12/88/15/953128815.db2.gz WVMYWZHWCZJEEU-PWSUYJOCSA-N -1 3 383.391 0.722 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@H]2CCN(c3ncc(F)cn3)C[C@H]2C1 ZINC001571220017 953128820 /nfs/dbraw/zinc/12/88/20/953128820.db2.gz WVMYWZHWCZJEEU-PWSUYJOCSA-N -1 3 383.391 0.722 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571220232 953129819 /nfs/dbraw/zinc/12/98/19/953129819.db2.gz ZNNANQQZMBAMGT-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571220232 953129823 /nfs/dbraw/zinc/12/98/23/953129823.db2.gz ZNNANQQZMBAMGT-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2n[nH]cc2F)C3)ccc1-c1nn[n-]n1 ZINC001571220203 953129832 /nfs/dbraw/zinc/12/98/32/953129832.db2.gz YZJZHGOVXKSALG-WQAKAFBOSA-N -1 3 383.391 0.972 20 0 GCADHM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncc(-c3nnn[n-]3)cc2F)[nH]n1 ZINC001571220161 953130003 /nfs/dbraw/zinc/13/00/03/953130003.db2.gz YAAGGFIAXHWAME-OSMZGAPFSA-N -1 3 383.391 0.972 20 0 GCADHM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncc(-c3nn[n-]n3)cc2F)[nH]n1 ZINC001571220161 953130004 /nfs/dbraw/zinc/13/00/04/953130004.db2.gz YAAGGFIAXHWAME-OSMZGAPFSA-N -1 3 383.391 0.972 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571222039 953130351 /nfs/dbraw/zinc/13/03/51/953130351.db2.gz AKITWSVIGAISKR-SMDDNHRTSA-N -1 3 383.416 0.270 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571222039 953130356 /nfs/dbraw/zinc/13/03/56/953130356.db2.gz AKITWSVIGAISKR-SMDDNHRTSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ccc([C@H](C)C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)o1 ZINC001571222095 953130947 /nfs/dbraw/zinc/13/09/47/953130947.db2.gz CDTYQJNYXAGHJM-IACUBPJLSA-N -1 3 383.412 0.633 20 0 GCADHM Cc1ccc([C@H](C)C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)o1 ZINC001571222095 953130951 /nfs/dbraw/zinc/13/09/51/953130951.db2.gz CDTYQJNYXAGHJM-IACUBPJLSA-N -1 3 383.412 0.633 20 0 GCADHM O=C(c1ccoc1)N1CCC(N(CCO)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571222113 953131203 /nfs/dbraw/zinc/13/12/03/953131203.db2.gz CMXPIRGAFFNTAO-UHFFFAOYSA-N -1 3 383.412 0.958 20 0 GCADHM O=C(c1ccoc1)N1CCC(N(CCO)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571222113 953131208 /nfs/dbraw/zinc/13/12/08/953131208.db2.gz CMXPIRGAFFNTAO-UHFFFAOYSA-N -1 3 383.412 0.958 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001571222179 953131355 /nfs/dbraw/zinc/13/13/55/953131355.db2.gz DPKKFUPICIFPPG-SMDDNHRTSA-N -1 3 383.416 0.337 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001571222179 953131358 /nfs/dbraw/zinc/13/13/58/953131358.db2.gz DPKKFUPICIFPPG-SMDDNHRTSA-N -1 3 383.416 0.337 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571222140 953131453 /nfs/dbraw/zinc/13/14/53/953131453.db2.gz CZCLGVZOHVPRJD-MNOVXSKESA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001571222176 953131419 /nfs/dbraw/zinc/13/14/19/953131419.db2.gz DPKKFUPICIFPPG-BXUZGUMPSA-N -1 3 383.416 0.337 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001571222176 953131423 /nfs/dbraw/zinc/13/14/23/953131423.db2.gz DPKKFUPICIFPPG-BXUZGUMPSA-N -1 3 383.416 0.337 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571222140 953131448 /nfs/dbraw/zinc/13/14/48/953131448.db2.gz CZCLGVZOHVPRJD-MNOVXSKESA-N -1 3 383.416 0.270 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC001571222151 953131582 /nfs/dbraw/zinc/13/15/82/953131582.db2.gz DEFXWKXYSYLONV-LBPRGKRZSA-N -1 3 383.416 0.135 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC001571222151 953131585 /nfs/dbraw/zinc/13/15/85/953131585.db2.gz DEFXWKXYSYLONV-LBPRGKRZSA-N -1 3 383.416 0.135 20 0 GCADHM Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001571222117 953131681 /nfs/dbraw/zinc/13/16/81/953131681.db2.gz COUINSSRTBXCOA-MEBBXXQBSA-N -1 3 383.412 0.916 20 0 GCADHM Cc1ccc(CC(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001571222117 953131682 /nfs/dbraw/zinc/13/16/82/953131682.db2.gz COUINSSRTBXCOA-MEBBXXQBSA-N -1 3 383.412 0.916 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cncn1C ZINC001571222186 953132300 /nfs/dbraw/zinc/13/23/00/953132300.db2.gz DRGBQSSBCSVZDS-QWRGUYRKSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cncn1C ZINC001571222186 953132302 /nfs/dbraw/zinc/13/23/02/953132302.db2.gz DRGBQSSBCSVZDS-QWRGUYRKSA-N -1 3 383.416 0.351 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222304 953133031 /nfs/dbraw/zinc/13/30/31/953133031.db2.gz GGESXVNMJDSINV-NSHDSACASA-N -1 3 383.416 0.515 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222304 953133036 /nfs/dbraw/zinc/13/30/36/953133036.db2.gz GGESXVNMJDSINV-NSHDSACASA-N -1 3 383.416 0.515 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cn(C)c(=O)[nH]1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571222266 953133623 /nfs/dbraw/zinc/13/36/23/953133623.db2.gz BVVACQQQZDVOAC-LBPRGKRZSA-N -1 3 383.416 0.442 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cn(C)c(=O)[nH]1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571222266 953133625 /nfs/dbraw/zinc/13/36/25/953133625.db2.gz BVVACQQQZDVOAC-LBPRGKRZSA-N -1 3 383.416 0.442 20 0 GCADHM C[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571222389 953134273 /nfs/dbraw/zinc/13/42/73/953134273.db2.gz HOJQNJYENBEHQY-WDEREUQCSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571222389 953134274 /nfs/dbraw/zinc/13/42/74/953134274.db2.gz HOJQNJYENBEHQY-WDEREUQCSA-N -1 3 383.416 0.488 20 0 GCADHM CCn1ccnc1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222504 953135002 /nfs/dbraw/zinc/13/50/02/953135002.db2.gz GXYGHVVZJNPHAU-NSHDSACASA-N -1 3 383.416 0.303 20 0 GCADHM CCn1ccnc1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222504 953135004 /nfs/dbraw/zinc/13/50/04/953135004.db2.gz GXYGHVVZJNPHAU-NSHDSACASA-N -1 3 383.416 0.303 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001571222583 953135718 /nfs/dbraw/zinc/13/57/18/953135718.db2.gz JRLYJWFRZCBQCD-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001571222583 953135722 /nfs/dbraw/zinc/13/57/22/953135722.db2.gz JRLYJWFRZCBQCD-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM O=C(C1=COCCO1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571222557 953135950 /nfs/dbraw/zinc/13/59/50/953135950.db2.gz IXYLXUZYPRWKQA-LSDHHAIUSA-N -1 3 383.412 0.720 20 0 GCADHM O=C(C1=COCCO1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571222557 953135952 /nfs/dbraw/zinc/13/59/52/953135952.db2.gz IXYLXUZYPRWKQA-LSDHHAIUSA-N -1 3 383.412 0.720 20 0 GCADHM CCCn1nccc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222538 953136070 /nfs/dbraw/zinc/13/60/70/953136070.db2.gz IMTGLOXREFXJFL-LBPRGKRZSA-N -1 3 383.416 0.446 20 0 GCADHM CCCn1nccc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222538 953136072 /nfs/dbraw/zinc/13/60/72/953136072.db2.gz IMTGLOXREFXJFL-LBPRGKRZSA-N -1 3 383.416 0.446 20 0 GCADHM COc1nn(C)cc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571222655 953136632 /nfs/dbraw/zinc/13/66/32/953136632.db2.gz IGSWFYJBITXZMC-NSHDSACASA-N -1 3 383.416 0.578 20 0 GCADHM COc1nn(C)cc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571222655 953136636 /nfs/dbraw/zinc/13/66/36/953136636.db2.gz IGSWFYJBITXZMC-NSHDSACASA-N -1 3 383.416 0.578 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222671 953137440 /nfs/dbraw/zinc/13/74/40/953137440.db2.gz IMDYPBVKZNSPTQ-LBPRGKRZSA-N -1 3 383.416 0.142 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222671 953137443 /nfs/dbraw/zinc/13/74/43/953137443.db2.gz IMDYPBVKZNSPTQ-LBPRGKRZSA-N -1 3 383.416 0.142 20 0 GCADHM CCc1nc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)no1 ZINC001571222839 953139422 /nfs/dbraw/zinc/13/94/22/953139422.db2.gz MYWOXHINXMLANJ-WZRBSPASSA-N -1 3 383.416 0.676 20 0 GCADHM CCc1nc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)no1 ZINC001571222839 953139423 /nfs/dbraw/zinc/13/94/23/953139423.db2.gz MYWOXHINXMLANJ-WZRBSPASSA-N -1 3 383.416 0.676 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571222932 953140532 /nfs/dbraw/zinc/14/05/32/953140532.db2.gz NZNAVTDRLPLNAM-GHMZBOCLSA-N -1 3 383.416 0.066 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571222932 953140537 /nfs/dbraw/zinc/14/05/37/953140537.db2.gz NZNAVTDRLPLNAM-GHMZBOCLSA-N -1 3 383.416 0.066 20 0 GCADHM COc1nn(C)cc1C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571222944 953140647 /nfs/dbraw/zinc/14/06/47/953140647.db2.gz OCSTVYGZNWDMLH-NSHDSACASA-N -1 3 383.416 0.321 20 0 GCADHM COc1nn(C)cc1C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571222944 953140651 /nfs/dbraw/zinc/14/06/51/953140651.db2.gz OCSTVYGZNWDMLH-NSHDSACASA-N -1 3 383.416 0.321 20 0 GCADHM CCn1cnc(C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571222951 953140671 /nfs/dbraw/zinc/14/06/71/953140671.db2.gz OEXFWSBSGSWCFX-GFCCVEGCSA-N -1 3 383.416 0.398 20 0 GCADHM CCn1cnc(C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571222951 953140674 /nfs/dbraw/zinc/14/06/74/953140674.db2.gz OEXFWSBSGSWCFX-GFCCVEGCSA-N -1 3 383.416 0.398 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)nn1C ZINC001571222949 953140938 /nfs/dbraw/zinc/14/09/38/953140938.db2.gz ODOSJQUCAHDMOP-UMSPYCQHSA-N -1 3 383.416 0.624 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)nn1C ZINC001571222949 953140943 /nfs/dbraw/zinc/14/09/43/953140943.db2.gz ODOSJQUCAHDMOP-UMSPYCQHSA-N -1 3 383.416 0.624 20 0 GCADHM CCc1n[nH]cc1C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223366 953143447 /nfs/dbraw/zinc/14/34/47/953143447.db2.gz QDAOTTYMCOBSHP-LLVKDONJSA-N -1 3 383.416 0.515 20 0 GCADHM CCc1n[nH]cc1C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223366 953143450 /nfs/dbraw/zinc/14/34/50/953143450.db2.gz QDAOTTYMCOBSHP-LLVKDONJSA-N -1 3 383.416 0.515 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1cn[nH]c1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571223296 953143588 /nfs/dbraw/zinc/14/35/88/953143588.db2.gz SNXMEICBWGPADO-CYBMUJFWSA-N -1 3 383.416 0.685 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1cn[nH]c1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223296 953143589 /nfs/dbraw/zinc/14/35/89/953143589.db2.gz SNXMEICBWGPADO-CYBMUJFWSA-N -1 3 383.416 0.685 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnc[nH]1 ZINC001571223482 953144458 /nfs/dbraw/zinc/14/44/58/953144458.db2.gz RHVASEYIDNHHIO-NSHDSACASA-N -1 3 383.416 0.226 20 0 GCADHM COc1ccc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571223578 953145085 /nfs/dbraw/zinc/14/50/85/953145085.db2.gz WEFSFGDGRRVNDL-SNVBAGLBSA-N -1 3 383.416 0.244 20 0 GCADHM COc1ccc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571223578 953145087 /nfs/dbraw/zinc/14/50/87/953145087.db2.gz WEFSFGDGRRVNDL-SNVBAGLBSA-N -1 3 383.416 0.244 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cnn(C)c1 ZINC001571223517 953145577 /nfs/dbraw/zinc/14/55/77/953145577.db2.gz SJMOQEFCMTULTK-LLVKDONJSA-N -1 3 383.416 0.016 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cnn(C)c1 ZINC001571223517 953145580 /nfs/dbraw/zinc/14/55/80/953145580.db2.gz SJMOQEFCMTULTK-LLVKDONJSA-N -1 3 383.416 0.016 20 0 GCADHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2COC(=O)C2)ccc1-c1nnn[n-]1 ZINC001571223696 953145904 /nfs/dbraw/zinc/14/59/04/953145904.db2.gz SUUKEXGEDKNGBQ-JCKZUZKGSA-N -1 3 383.412 0.074 20 0 GCADHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2COC(=O)C2)ccc1-c1nn[n-]n1 ZINC001571223696 953145907 /nfs/dbraw/zinc/14/59/07/953145907.db2.gz SUUKEXGEDKNGBQ-JCKZUZKGSA-N -1 3 383.412 0.074 20 0 GCADHM COc1nc(C)cc(N2CC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571223833 953147095 /nfs/dbraw/zinc/14/70/95/953147095.db2.gz XVTLAQLFJNCCMM-LLVKDONJSA-N -1 3 383.416 0.653 20 0 GCADHM COc1nc(C)cc(N2CC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571223833 953147098 /nfs/dbraw/zinc/14/70/98/953147098.db2.gz XVTLAQLFJNCCMM-LLVKDONJSA-N -1 3 383.416 0.653 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223797 953147302 /nfs/dbraw/zinc/14/73/02/953147302.db2.gz VRMVQJWNHJQVKR-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223797 953147304 /nfs/dbraw/zinc/14/73/04/953147304.db2.gz VRMVQJWNHJQVKR-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM COc1nn(C)cc1C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571223908 953147787 /nfs/dbraw/zinc/14/77/87/953147787.db2.gz ZSPLISHXQAKENW-UHFFFAOYSA-N -1 3 383.416 0.721 20 0 GCADHM COc1nn(C)cc1C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571223908 953147789 /nfs/dbraw/zinc/14/77/89/953147789.db2.gz ZSPLISHXQAKENW-UHFFFAOYSA-N -1 3 383.416 0.721 20 0 GCADHM CCn1nccc1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571223849 953147927 /nfs/dbraw/zinc/14/79/27/953147927.db2.gz YIKXHAJHYKCFTO-LBPRGKRZSA-N -1 3 383.416 0.398 20 0 GCADHM CCn1nccc1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571223849 953147928 /nfs/dbraw/zinc/14/79/28/953147928.db2.gz YIKXHAJHYKCFTO-LBPRGKRZSA-N -1 3 383.416 0.398 20 0 GCADHM CC[C@@H](NC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1)C(=O)NC ZINC001571223973 953148684 /nfs/dbraw/zinc/14/86/84/953148684.db2.gz WIJURSQBTCGBSU-CQSZACIVSA-N -1 3 383.416 0.758 20 0 GCADHM CC[C@@H](NC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)NC ZINC001571223973 953148685 /nfs/dbraw/zinc/14/86/85/953148685.db2.gz WIJURSQBTCGBSU-CQSZACIVSA-N -1 3 383.416 0.758 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571224131 953149638 /nfs/dbraw/zinc/14/96/38/953149638.db2.gz YVKRUMCTRGTBDO-ZYHUDNBSSA-N -1 3 383.416 0.664 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](CNC(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571224672 953150407 /nfs/dbraw/zinc/15/04/07/953150407.db2.gz CPENVWWNGXXOOV-LLVKDONJSA-N -1 3 383.416 0.266 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](CNC(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571224672 953150409 /nfs/dbraw/zinc/15/04/09/953150409.db2.gz CPENVWWNGXXOOV-LLVKDONJSA-N -1 3 383.416 0.266 20 0 GCADHM Cc1nnc(CC(=O)NC2CC(CNc3nc(C)ccc3-c3nnn[n-]3)C2)o1 ZINC001571224888 953151250 /nfs/dbraw/zinc/15/12/50/953151250.db2.gz FWRUQPWXWSIUNO-UHFFFAOYSA-N -1 3 383.416 0.811 20 0 GCADHM Cc1nnc(CC(=O)NC2CC(CNc3nc(C)ccc3-c3nn[n-]n3)C2)o1 ZINC001571224888 953151252 /nfs/dbraw/zinc/15/12/52/953151252.db2.gz FWRUQPWXWSIUNO-UHFFFAOYSA-N -1 3 383.416 0.811 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571224932 953152305 /nfs/dbraw/zinc/15/23/05/953152305.db2.gz GYXRGHUPADOIET-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571224932 953152306 /nfs/dbraw/zinc/15/23/06/953152306.db2.gz GYXRGHUPADOIET-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001571225578 953152785 /nfs/dbraw/zinc/15/27/85/953152785.db2.gz KFKUVVZSMSULDY-CABZTGNLSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001571225578 953152787 /nfs/dbraw/zinc/15/27/87/953152787.db2.gz KFKUVVZSMSULDY-CABZTGNLSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ccn(CC(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)n1 ZINC001571225312 953153000 /nfs/dbraw/zinc/15/30/00/953153000.db2.gz JKGLLRHPBKREOM-YPMHNXCESA-N -1 3 383.416 0.119 20 0 GCADHM Cc1ccn(CC(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)n1 ZINC001571225312 953153002 /nfs/dbraw/zinc/15/30/02/953153002.db2.gz JKGLLRHPBKREOM-YPMHNXCESA-N -1 3 383.416 0.119 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)o1 ZINC001571225669 953153441 /nfs/dbraw/zinc/15/34/41/953153441.db2.gz NCTPVYKQZHEHOX-PWSUYJOCSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)o1 ZINC001571225669 953153444 /nfs/dbraw/zinc/15/34/44/953153444.db2.gz NCTPVYKQZHEHOX-PWSUYJOCSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571225605 953153673 /nfs/dbraw/zinc/15/36/73/953153673.db2.gz LFEHZNFJQRLTNJ-NSHDSACASA-N -1 3 383.416 0.108 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571225605 953153674 /nfs/dbraw/zinc/15/36/74/953153674.db2.gz LFEHZNFJQRLTNJ-NSHDSACASA-N -1 3 383.416 0.108 20 0 GCADHM Cc1ccc(NC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCCO2)nn1 ZINC001571225877 953154351 /nfs/dbraw/zinc/15/43/51/953154351.db2.gz NHTJDUQWKWMPDF-CYBMUJFWSA-N -1 3 383.416 0.636 20 0 GCADHM Cc1ccc(NC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCCO2)nn1 ZINC001571225877 953154353 /nfs/dbraw/zinc/15/43/53/953154353.db2.gz NHTJDUQWKWMPDF-CYBMUJFWSA-N -1 3 383.416 0.636 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571226437 953155178 /nfs/dbraw/zinc/15/51/78/953155178.db2.gz QWICPEYBHZDBLS-CMPLNLGQSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571226437 953155181 /nfs/dbraw/zinc/15/51/81/953155181.db2.gz QWICPEYBHZDBLS-CMPLNLGQSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1cnc(C)nc1N1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571225950 953155313 /nfs/dbraw/zinc/15/53/13/953155313.db2.gz PBDHAXUPEHQUPP-CYBMUJFWSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1cnc(C)nc1N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571225950 953155318 /nfs/dbraw/zinc/15/53/18/953155318.db2.gz PBDHAXUPEHQUPP-CYBMUJFWSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571226610 953155875 /nfs/dbraw/zinc/15/58/75/953155875.db2.gz SQCGOCPTWLNENT-SKDRFNHKSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571226610 953155877 /nfs/dbraw/zinc/15/58/77/953155877.db2.gz SQCGOCPTWLNENT-SKDRFNHKSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](N(C)c3nc(C)ccc3-c3nnn[n-]3)C2)o1 ZINC001571226671 953156623 /nfs/dbraw/zinc/15/66/23/953156623.db2.gz VPZAVXOMSOFRIU-GFCCVEGCSA-N -1 3 383.416 0.541 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](N(C)c3nc(C)ccc3-c3nn[n-]n3)C2)o1 ZINC001571226671 953156627 /nfs/dbraw/zinc/15/66/27/953156627.db2.gz VPZAVXOMSOFRIU-GFCCVEGCSA-N -1 3 383.416 0.541 20 0 GCADHM Cc1noc(CN2CCC3(C[C@H]3NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001571226629 953156828 /nfs/dbraw/zinc/15/68/28/953156828.db2.gz UFEHJLJHYVJDLI-CYBMUJFWSA-N -1 3 383.416 0.671 20 0 GCADHM Cc1noc(CN2CCC3(C[C@H]3NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001571226629 953156829 /nfs/dbraw/zinc/15/68/29/953156829.db2.gz UFEHJLJHYVJDLI-CYBMUJFWSA-N -1 3 383.416 0.671 20 0 GCADHM Cc1nc(N[C@@H](C)[C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)ccc1-c1nnn[n-]1 ZINC001571226934 953157690 /nfs/dbraw/zinc/15/76/90/953157690.db2.gz XFGBTSBSOKPFMC-FZMZJTMJSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(N[C@@H](C)[C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)ccc1-c1nn[n-]n1 ZINC001571226934 953157692 /nfs/dbraw/zinc/15/76/92/953157692.db2.gz XFGBTSBSOKPFMC-FZMZJTMJSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(C)c(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571227125 953158250 /nfs/dbraw/zinc/15/82/50/953158250.db2.gz ZGYBYWXSUJXESZ-CYBMUJFWSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)c[nH]1 ZINC001571226990 953158310 /nfs/dbraw/zinc/15/83/10/953158310.db2.gz YJERIPJGHVRJBJ-JOYOIKCWSA-N -1 3 383.416 0.649 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571227689 953158316 /nfs/dbraw/zinc/15/83/16/953158316.db2.gz ABCZKVJRENLGBZ-KRWDZBQOSA-N -1 3 383.416 0.074 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571227689 953158317 /nfs/dbraw/zinc/15/83/17/953158317.db2.gz ABCZKVJRENLGBZ-KRWDZBQOSA-N -1 3 383.416 0.074 20 0 GCADHM O=C(NC[C@H]1CCN1Cc1noc(C2CCC2)n1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571228045 953161737 /nfs/dbraw/zinc/16/17/37/953161737.db2.gz GWBARTGPNQSRAY-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(NC[C@H]1CCN1Cc1noc(C2CCC2)n1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571228045 953161740 /nfs/dbraw/zinc/16/17/40/953161740.db2.gz GWBARTGPNQSRAY-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571228313 953163579 /nfs/dbraw/zinc/16/35/79/953163579.db2.gz NABUYBOIDISWOO-ZYHUDNBSSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571228313 953163581 /nfs/dbraw/zinc/16/35/81/953163581.db2.gz NABUYBOIDISWOO-ZYHUDNBSSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571228310 953163911 /nfs/dbraw/zinc/16/39/11/953163911.db2.gz NABUYBOIDISWOO-CMPLNLGQSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571228310 953163913 /nfs/dbraw/zinc/16/39/13/953163913.db2.gz NABUYBOIDISWOO-CMPLNLGQSA-N -1 3 383.416 0.257 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@@H]1CNCc1nc(C2CC2)no1 ZINC001571228518 953164542 /nfs/dbraw/zinc/16/45/42/953164542.db2.gz QHXRIEZWPRSZPY-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@@H]1CNCc1nc(C2CC2)no1 ZINC001571228518 953164545 /nfs/dbraw/zinc/16/45/45/953164545.db2.gz QHXRIEZWPRSZPY-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM Cc1nonc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228826 953166880 /nfs/dbraw/zinc/16/68/80/953166880.db2.gz WEUCQWLRJGQADP-CMPLNLGQSA-N -1 3 383.416 0.988 20 0 GCADHM Cc1nonc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228826 953166882 /nfs/dbraw/zinc/16/68/82/953166882.db2.gz WEUCQWLRJGQADP-CMPLNLGQSA-N -1 3 383.416 0.988 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571229071 953167533 /nfs/dbraw/zinc/16/75/33/953167533.db2.gz ZGIFMNHRJSOLRY-WDEREUQCSA-N -1 3 383.420 0.057 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571229179 953168240 /nfs/dbraw/zinc/16/82/40/953168240.db2.gz AJPOLQWNCXXVLY-KOLCDFICSA-N -1 3 383.420 0.294 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001571229264 953168576 /nfs/dbraw/zinc/16/85/76/953168576.db2.gz BJMFDVIPPPYTFO-NSHDSACASA-N -1 3 383.420 0.438 20 0 GCADHM Cc1nc(NC[C@@H]2CCCN2C(=O)CCn2cnnn2)ccc1-c1nnn[n-]1 ZINC001571229184 953168688 /nfs/dbraw/zinc/16/86/88/953168688.db2.gz AOBWRQCGUZFXIH-LBPRGKRZSA-N -1 3 383.420 0.050 20 0 GCADHM Cc1nc(NC[C@@H]2CCCN2C(=O)CCn2cnnn2)ccc1-c1nn[n-]n1 ZINC001571229184 953168689 /nfs/dbraw/zinc/16/86/89/953168689.db2.gz AOBWRQCGUZFXIH-LBPRGKRZSA-N -1 3 383.420 0.050 20 0 GCADHM Cc1nnc(CC(=O)NC2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)[nH]1 ZINC001571229785 953172067 /nfs/dbraw/zinc/17/20/67/953172067.db2.gz NGCMQNVHMSPWRO-UHFFFAOYSA-N -1 3 383.420 0.165 20 0 GCADHM Cc1nnc(CC(=O)NC2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)[nH]1 ZINC001571229785 953172071 /nfs/dbraw/zinc/17/20/71/953172071.db2.gz NGCMQNVHMSPWRO-UHFFFAOYSA-N -1 3 383.420 0.165 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)[C@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571230111 953173756 /nfs/dbraw/zinc/17/37/56/953173756.db2.gz RXBZLSUEOVEJOD-MNOVXSKESA-N -1 3 383.420 0.056 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)[C@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571230111 953173759 /nfs/dbraw/zinc/17/37/59/953173759.db2.gz RXBZLSUEOVEJOD-MNOVXSKESA-N -1 3 383.420 0.056 20 0 GCADHM COc1ccc(NC(=O)NCC(C)(C)NS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC001571231026 953182708 /nfs/dbraw/zinc/18/27/08/953182708.db2.gz QLYLFCCAEXCCPC-UHFFFAOYSA-N -1 3 383.434 0.325 20 0 GCADHM COc1ccc(NC(=O)NCC(C)(C)NS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC001571231026 953182710 /nfs/dbraw/zinc/18/27/10/953182710.db2.gz QLYLFCCAEXCCPC-UHFFFAOYSA-N -1 3 383.434 0.325 20 0 GCADHM C[C@]12CN(C(=O)[C@@H]3CCCOC3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571232408 953186828 /nfs/dbraw/zinc/18/68/28/953186828.db2.gz FCGHFSOYEAQWGO-LPMFXHHGSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@]12CN(C(=O)[C@@H]3CCCOC3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571232408 953186831 /nfs/dbraw/zinc/18/68/31/953186831.db2.gz FCGHFSOYEAQWGO-LPMFXHHGSA-N -1 3 383.456 0.973 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CCCC4)C2)n1 ZINC001571232448 953187036 /nfs/dbraw/zinc/18/70/36/953187036.db2.gz FZVJHJQSHOCPDZ-RBSFLKMASA-N -1 3 383.456 0.816 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CCCC4)C2)n1 ZINC001571232448 953187037 /nfs/dbraw/zinc/18/70/37/953187037.db2.gz FZVJHJQSHOCPDZ-RBSFLKMASA-N -1 3 383.456 0.816 20 0 GCADHM C[C@@]12CN(C(=O)[C@H]3CCOC3)C[C@]1(C)CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571232674 953188686 /nfs/dbraw/zinc/18/86/86/953188686.db2.gz IZABLGLLMAQPKN-FASAQXTFSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@]12CN(C(=O)[C@H]3CCOC3)C[C@]1(C)CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571232674 953188687 /nfs/dbraw/zinc/18/86/87/953188687.db2.gz IZABLGLLMAQPKN-FASAQXTFSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCN(Cc2nccn2C)C1 ZINC001571232730 953189277 /nfs/dbraw/zinc/18/92/77/953189277.db2.gz KBAWNLXVMHLQGZ-CHWSQXEVSA-N -1 3 383.460 0.959 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)[C@H]1CCCC2(CC2)C1 ZINC001571233673 953194423 /nfs/dbraw/zinc/19/44/23/953194423.db2.gz ZWEVLBVTGXDFPZ-NWANDNLSSA-N -1 3 383.456 0.898 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)[C@H]1CCCC2(CC2)C1 ZINC001571233673 953194424 /nfs/dbraw/zinc/19/44/24/953194424.db2.gz ZWEVLBVTGXDFPZ-NWANDNLSSA-N -1 3 383.456 0.898 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571233736 953195168 /nfs/dbraw/zinc/19/51/68/953195168.db2.gz BXZKMFIUJPDIET-UNQGMJICSA-N -1 3 383.460 0.367 20 0 GCADHM CN1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571234318 953200261 /nfs/dbraw/zinc/20/02/61/953200261.db2.gz UFZYBYZWSCSFJR-QWHCGFSZSA-N -1 3 383.460 0.226 20 0 GCADHM CN(c1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571234848 953206245 /nfs/dbraw/zinc/20/62/45/953206245.db2.gz KNVLEMOIAYEYCV-SNVBAGLBSA-N -1 3 384.375 0.440 20 0 GCADHM CN(c1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571234848 953206246 /nfs/dbraw/zinc/20/62/46/953206246.db2.gz KNVLEMOIAYEYCV-SNVBAGLBSA-N -1 3 384.375 0.440 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cncc(F)c1 ZINC001571234997 953207861 /nfs/dbraw/zinc/20/78/61/953207861.db2.gz PEFUDFGOJHCPEA-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cncc(F)c1 ZINC001571234997 953207863 /nfs/dbraw/zinc/20/78/63/953207863.db2.gz PEFUDFGOJHCPEA-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM O=S(=O)(NCc1ncc[nH]1)c1cccc(Br)c1-c1nnn[n-]1 ZINC001571235191 953209154 /nfs/dbraw/zinc/20/91/54/953209154.db2.gz WLJOVHRDRFHAGG-UHFFFAOYSA-N -1 3 384.219 0.831 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)c1ncccc1F)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571235279 953210258 /nfs/dbraw/zinc/21/02/58/953210258.db2.gz YWVNBVXRVQIBOW-NSHDSACASA-N -1 3 384.375 0.716 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)c1ncccc1F)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571235279 953210260 /nfs/dbraw/zinc/21/02/60/953210260.db2.gz YWVNBVXRVQIBOW-NSHDSACASA-N -1 3 384.375 0.716 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(=O)c1ccon1 ZINC001571235356 953211423 /nfs/dbraw/zinc/21/14/23/953211423.db2.gz BDMSKTHNAJVLLB-NSHDSACASA-N -1 3 384.400 0.807 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(=O)c1ccon1 ZINC001571235356 953211426 /nfs/dbraw/zinc/21/14/26/953211426.db2.gz BDMSKTHNAJVLLB-NSHDSACASA-N -1 3 384.400 0.807 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)c1cc2n(n1)CCO2 ZINC001571235411 953212062 /nfs/dbraw/zinc/21/20/62/953212062.db2.gz CUERUEYZIRDUFJ-MGCOHNPYSA-N -1 3 384.375 0.968 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)c1cc2n(n1)CCO2 ZINC001571235411 953212064 /nfs/dbraw/zinc/21/20/64/953212064.db2.gz CUERUEYZIRDUFJ-MGCOHNPYSA-N -1 3 384.375 0.968 20 0 GCADHM COCc1nocc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001571235398 953212108 /nfs/dbraw/zinc/21/21/08/953212108.db2.gz CLEFVLHWQZZWGM-UHFFFAOYSA-N -1 3 384.400 0.667 20 0 GCADHM COCc1nocc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001571235398 953212109 /nfs/dbraw/zinc/21/21/09/953212109.db2.gz CLEFVLHWQZZWGM-UHFFFAOYSA-N -1 3 384.400 0.667 20 0 GCADHM CCc1oncc1C(=O)N1CCO[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571235437 953212503 /nfs/dbraw/zinc/21/25/03/953212503.db2.gz FADIUTZBNSQFSQ-LLVKDONJSA-N -1 3 384.400 0.765 20 0 GCADHM CCc1oncc1C(=O)N1CCO[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571235437 953212504 /nfs/dbraw/zinc/21/25/04/953212504.db2.gz FADIUTZBNSQFSQ-LLVKDONJSA-N -1 3 384.400 0.765 20 0 GCADHM O=C(c1ccncn1)N1CCO[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571235497 953213020 /nfs/dbraw/zinc/21/30/20/953213020.db2.gz GRYGXUVWUBUDDS-NSHDSACASA-N -1 3 384.375 0.749 20 0 GCADHM O=C(c1ccncn1)N1CCO[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571235497 953213022 /nfs/dbraw/zinc/21/30/22/953213022.db2.gz GRYGXUVWUBUDDS-NSHDSACASA-N -1 3 384.375 0.749 20 0 GCADHM COCc1nnc2n1CCN([C@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)C2 ZINC001571235502 953213076 /nfs/dbraw/zinc/21/30/76/953213076.db2.gz GUAXJDIPDZZDPM-HNNXBMFYSA-N -1 3 384.400 0.335 20 0 GCADHM COCc1nnc2n1CCN([C@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)C2 ZINC001571235502 953213079 /nfs/dbraw/zinc/21/30/79/953213079.db2.gz GUAXJDIPDZZDPM-HNNXBMFYSA-N -1 3 384.400 0.335 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571235515 953213114 /nfs/dbraw/zinc/21/31/14/953213114.db2.gz HCRNYDSARWXFTF-GHMZBOCLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571235515 953213117 /nfs/dbraw/zinc/21/31/17/953213117.db2.gz HCRNYDSARWXFTF-GHMZBOCLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571235517 953213223 /nfs/dbraw/zinc/21/32/23/953213223.db2.gz HCRNYDSARWXFTF-QWRGUYRKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571235517 953213224 /nfs/dbraw/zinc/21/32/24/953213224.db2.gz HCRNYDSARWXFTF-QWRGUYRKSA-N -1 3 384.400 0.854 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1NC(=O)Cc1ccon1 ZINC001571235551 953213563 /nfs/dbraw/zinc/21/35/63/953213563.db2.gz IDPJRQLLJYXUET-ZDUSSCGKSA-N -1 3 384.400 0.392 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1NC(=O)Cc1ccon1 ZINC001571235551 953213565 /nfs/dbraw/zinc/21/35/65/953213565.db2.gz IDPJRQLLJYXUET-ZDUSSCGKSA-N -1 3 384.400 0.392 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccncc1F ZINC001571235651 953214490 /nfs/dbraw/zinc/21/44/90/953214490.db2.gz MEGLIRMZWRAQKE-JTQLQIEISA-N -1 3 384.375 0.621 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccncc1F ZINC001571235651 953214493 /nfs/dbraw/zinc/21/44/93/953214493.db2.gz MEGLIRMZWRAQKE-JTQLQIEISA-N -1 3 384.375 0.621 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccncc1F ZINC001571235652 953214573 /nfs/dbraw/zinc/21/45/73/953214573.db2.gz MEGLIRMZWRAQKE-SNVBAGLBSA-N -1 3 384.375 0.621 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccncc1F ZINC001571235652 953214576 /nfs/dbraw/zinc/21/45/76/953214576.db2.gz MEGLIRMZWRAQKE-SNVBAGLBSA-N -1 3 384.375 0.621 20 0 GCADHM O=C(NC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)c1cn[nH]c(=O)c1 ZINC001571235713 953215147 /nfs/dbraw/zinc/21/51/47/953215147.db2.gz OKPDWKPOSBVLOY-UHFFFAOYSA-N -1 3 384.375 0.900 20 0 GCADHM O=C(NC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)c1cn[nH]c(=O)c1 ZINC001571235713 953215149 /nfs/dbraw/zinc/21/51/49/953215149.db2.gz OKPDWKPOSBVLOY-UHFFFAOYSA-N -1 3 384.375 0.900 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(F)c2-c2nnn[n-]2)o1 ZINC001571235840 953215461 /nfs/dbraw/zinc/21/54/61/953215461.db2.gz PXLKXMDRTVCPTJ-QWRGUYRKSA-N -1 3 384.375 0.729 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(F)c2-c2nn[n-]n2)o1 ZINC001571235840 953215463 /nfs/dbraw/zinc/21/54/63/953215463.db2.gz PXLKXMDRTVCPTJ-QWRGUYRKSA-N -1 3 384.375 0.729 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC001571235895 953216161 /nfs/dbraw/zinc/21/61/61/953216161.db2.gz QUVWCCRFCXLTEG-WDEREUQCSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC001571235895 953216163 /nfs/dbraw/zinc/21/61/63/953216163.db2.gz QUVWCCRFCXLTEG-WDEREUQCSA-N -1 3 384.400 0.854 20 0 GCADHM COCc1nocc1C(=O)N1C[C@@H](C)[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571235923 953216212 /nfs/dbraw/zinc/21/62/12/953216212.db2.gz RMDCIZFFNRUQGR-MFKMUULPSA-N -1 3 384.400 0.969 20 0 GCADHM COCc1nocc1C(=O)N1C[C@@H](C)[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571235923 953216213 /nfs/dbraw/zinc/21/62/13/953216213.db2.gz RMDCIZFFNRUQGR-MFKMUULPSA-N -1 3 384.400 0.969 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)c1ccc(F)cn1 ZINC001571236199 953216408 /nfs/dbraw/zinc/21/64/08/953216408.db2.gz UVCSDYMZCOOQDX-ZDUSSCGKSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)c1ccc(F)cn1 ZINC001571236199 953216411 /nfs/dbraw/zinc/21/64/11/953216411.db2.gz UVCSDYMZCOOQDX-ZDUSSCGKSA-N -1 3 384.375 0.431 20 0 GCADHM CCc1ncoc1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571236190 953216531 /nfs/dbraw/zinc/21/65/31/953216531.db2.gz UPFAAIHBUANZSS-UHFFFAOYSA-N -1 3 384.400 0.734 20 0 GCADHM CCc1ncoc1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571236190 953216534 /nfs/dbraw/zinc/21/65/34/953216534.db2.gz UPFAAIHBUANZSS-UHFFFAOYSA-N -1 3 384.400 0.734 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571236331 953217235 /nfs/dbraw/zinc/21/72/35/953217235.db2.gz WLVSKGNUVYAZTR-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571236331 953217236 /nfs/dbraw/zinc/21/72/36/953217236.db2.gz WLVSKGNUVYAZTR-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CCc1ncoc1C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236397 953217245 /nfs/dbraw/zinc/21/72/45/953217245.db2.gz YPQXAJKTWPXIKM-NSHDSACASA-N -1 3 384.400 0.780 20 0 GCADHM CCc1ncoc1C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236397 953217247 /nfs/dbraw/zinc/21/72/47/953217247.db2.gz YPQXAJKTWPXIKM-NSHDSACASA-N -1 3 384.400 0.780 20 0 GCADHM CCc1ocnc1C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236346 953217682 /nfs/dbraw/zinc/21/76/82/953217682.db2.gz WYOFYOKQEPTSAP-UHFFFAOYSA-N -1 3 384.400 0.684 20 0 GCADHM CCc1ocnc1C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236346 953217683 /nfs/dbraw/zinc/21/76/83/953217683.db2.gz WYOFYOKQEPTSAP-UHFFFAOYSA-N -1 3 384.400 0.684 20 0 GCADHM CCc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571236414 953218281 /nfs/dbraw/zinc/21/82/81/953218281.db2.gz ZIGWTWRASLMZQE-HOMQSWHASA-N -1 3 384.400 0.684 20 0 GCADHM CCc1cc(C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571236414 953218283 /nfs/dbraw/zinc/21/82/83/953218283.db2.gz ZIGWTWRASLMZQE-HOMQSWHASA-N -1 3 384.400 0.684 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001571236672 953218308 /nfs/dbraw/zinc/21/83/08/953218308.db2.gz AUQCUCNVYYZYSI-GFCCVEGCSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001571236672 953218310 /nfs/dbraw/zinc/21/83/10/953218310.db2.gz AUQCUCNVYYZYSI-GFCCVEGCSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1(C)C ZINC001571236873 953218602 /nfs/dbraw/zinc/21/86/02/953218602.db2.gz CMIRNPGKZBQSBN-GFCCVEGCSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001571236873 953218604 /nfs/dbraw/zinc/21/86/04/953218604.db2.gz CMIRNPGKZBQSBN-GFCCVEGCSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1noc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1C ZINC001571236720 953218610 /nfs/dbraw/zinc/21/86/10/953218610.db2.gz CDRABCAOZOFKFV-PRHODGIISA-N -1 3 384.400 0.833 20 0 GCADHM Cc1noc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1C ZINC001571236720 953218614 /nfs/dbraw/zinc/21/86/14/953218614.db2.gz CDRABCAOZOFKFV-PRHODGIISA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nocc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001571237008 953219459 /nfs/dbraw/zinc/21/94/59/953219459.db2.gz FDPIBTLFGJPRIX-CYBMUJFWSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1nocc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001571237008 953219462 /nfs/dbraw/zinc/21/94/62/953219462.db2.gz FDPIBTLFGJPRIX-CYBMUJFWSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571236961 953219840 /nfs/dbraw/zinc/21/98/40/953219840.db2.gz DIUPXQPQMLMRIL-JQWIXIFHSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571236961 953219842 /nfs/dbraw/zinc/21/98/42/953219842.db2.gz DIUPXQPQMLMRIL-JQWIXIFHSA-N -1 3 384.400 0.914 20 0 GCADHM O=C(Cc1ccon1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571237149 953220423 /nfs/dbraw/zinc/22/04/23/953220423.db2.gz FVZBDNMHUGZXQP-AWEZNQCLSA-N -1 3 384.400 0.522 20 0 GCADHM O=C(Cc1ccon1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571237149 953220426 /nfs/dbraw/zinc/22/04/26/953220426.db2.gz FVZBDNMHUGZXQP-AWEZNQCLSA-N -1 3 384.400 0.522 20 0 GCADHM Cc1oncc1CN1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2 ZINC001571237309 953220819 /nfs/dbraw/zinc/22/08/19/953220819.db2.gz GXESGTXZAFBPEK-LBPRGKRZSA-N -1 3 384.400 0.265 20 0 GCADHM Cc1oncc1CN1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2 ZINC001571237309 953220823 /nfs/dbraw/zinc/22/08/23/953220823.db2.gz GXESGTXZAFBPEK-LBPRGKRZSA-N -1 3 384.400 0.265 20 0 GCADHM Cc1noc(C)c1C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571237434 953221095 /nfs/dbraw/zinc/22/10/95/953221095.db2.gz HODQJVVJZDAXRX-NSHDSACASA-N -1 3 384.400 0.786 20 0 GCADHM Cc1noc(C)c1C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571237434 953221099 /nfs/dbraw/zinc/22/10/99/953221099.db2.gz HODQJVVJZDAXRX-NSHDSACASA-N -1 3 384.400 0.786 20 0 GCADHM Cc1noc(C)c1C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571237421 953221557 /nfs/dbraw/zinc/22/15/57/953221557.db2.gz HOAQRQHDJVTBAF-LLVKDONJSA-N -1 3 384.400 0.692 20 0 GCADHM Cc1noc(C)c1C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571237421 953221562 /nfs/dbraw/zinc/22/15/62/953221562.db2.gz HOAQRQHDJVTBAF-LLVKDONJSA-N -1 3 384.400 0.692 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)[C@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC001571237739 953223020 /nfs/dbraw/zinc/22/30/20/953223020.db2.gz MXQLNIMQHSTZLN-BXUZGUMPSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)[C@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC001571237739 953223021 /nfs/dbraw/zinc/22/30/21/953223021.db2.gz MXQLNIMQHSTZLN-BXUZGUMPSA-N -1 3 384.400 0.900 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@@]2(C1)CN(Cc1ccon1)CCO2 ZINC001571237719 953223328 /nfs/dbraw/zinc/22/33/28/953223328.db2.gz MPZJYGPKORUOQF-KRWDZBQOSA-N -1 3 384.400 0.300 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@@]2(C1)CN(Cc1ccon1)CCO2 ZINC001571237719 953223331 /nfs/dbraw/zinc/22/33/31/953223331.db2.gz MPZJYGPKORUOQF-KRWDZBQOSA-N -1 3 384.400 0.300 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001571237969 953224205 /nfs/dbraw/zinc/22/42/05/953224205.db2.gz PICRHCLBQWJEST-CMPLNLGQSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001571237969 953224208 /nfs/dbraw/zinc/22/42/08/953224208.db2.gz PICRHCLBQWJEST-CMPLNLGQSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(OCC(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC001571238000 953224620 /nfs/dbraw/zinc/22/46/20/953224620.db2.gz QFJMHDWCCXQDMT-LBPRGKRZSA-N -1 3 384.400 0.898 20 0 GCADHM Cc1cc(OCC(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC001571238000 953224623 /nfs/dbraw/zinc/22/46/23/953224623.db2.gz QFJMHDWCCXQDMT-LBPRGKRZSA-N -1 3 384.400 0.898 20 0 GCADHM O=C(Cc1cnoc1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571238048 953225139 /nfs/dbraw/zinc/22/51/39/953225139.db2.gz SAMJJUWNUIAOEC-CQSZACIVSA-N -1 3 384.400 0.522 20 0 GCADHM O=C(Cc1cnoc1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571238048 953225140 /nfs/dbraw/zinc/22/51/40/953225140.db2.gz SAMJJUWNUIAOEC-CQSZACIVSA-N -1 3 384.400 0.522 20 0 GCADHM Cc1cc(CC(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571238122 953225266 /nfs/dbraw/zinc/22/52/66/953225266.db2.gz UTOKSSLOOYRRRM-UHFFFAOYSA-N -1 3 384.400 0.359 20 0 GCADHM Cc1cc(CC(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571238122 953225269 /nfs/dbraw/zinc/22/52/69/953225269.db2.gz UTOKSSLOOYRRRM-UHFFFAOYSA-N -1 3 384.400 0.359 20 0 GCADHM Cc1nc(N2CCCO[C@@H](CNC(=O)c3cnco3)C2)ccc1-c1nnn[n-]1 ZINC001571238139 953225453 /nfs/dbraw/zinc/22/54/53/953225453.db2.gz VHBXUQYODKTGPJ-LBPRGKRZSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1nc(N2CCCO[C@@H](CNC(=O)c3cnco3)C2)ccc1-c1nn[n-]n1 ZINC001571238139 953225457 /nfs/dbraw/zinc/22/54/57/953225457.db2.gz VHBXUQYODKTGPJ-LBPRGKRZSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)co1 ZINC001571238116 953225611 /nfs/dbraw/zinc/22/56/11/953225611.db2.gz UOEDBKBSUHULMO-ZDUSSCGKSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)co1 ZINC001571238116 953225614 /nfs/dbraw/zinc/22/56/14/953225614.db2.gz UOEDBKBSUHULMO-ZDUSSCGKSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1ncc(CC(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001571238124 953225874 /nfs/dbraw/zinc/22/58/74/953225874.db2.gz UUKVOVGEIFEJQZ-LBPRGKRZSA-N -1 3 384.400 0.407 20 0 GCADHM Cc1ncc(CC(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001571238124 953225877 /nfs/dbraw/zinc/22/58/77/953225877.db2.gz UUKVOVGEIFEJQZ-LBPRGKRZSA-N -1 3 384.400 0.407 20 0 GCADHM Cc1cc(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)no1 ZINC001571238226 953226191 /nfs/dbraw/zinc/22/61/91/953226191.db2.gz XFYSJGBPTLIGOV-YMTOWFKASA-N -1 3 384.400 0.311 20 0 GCADHM Cc1cc(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)no1 ZINC001571238226 953226195 /nfs/dbraw/zinc/22/61/95/953226195.db2.gz XFYSJGBPTLIGOV-YMTOWFKASA-N -1 3 384.400 0.311 20 0 GCADHM Cc1conc1C(=O)NC[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571238277 953227135 /nfs/dbraw/zinc/22/71/35/953227135.db2.gz YKIMFFVEYGHVFO-JQWIXIFHSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1conc1C(=O)NC[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571238277 953227137 /nfs/dbraw/zinc/22/71/37/953227137.db2.gz YKIMFFVEYGHVFO-JQWIXIFHSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)o1 ZINC001571238269 953227393 /nfs/dbraw/zinc/22/73/93/953227393.db2.gz YHOIUZFCEVUQAT-UHFFFAOYSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)o1 ZINC001571238269 953227398 /nfs/dbraw/zinc/22/73/98/953227398.db2.gz YHOIUZFCEVUQAT-UHFFFAOYSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1ocnc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1 ZINC001571238254 953227574 /nfs/dbraw/zinc/22/75/74/953227574.db2.gz YCQLWPUSMVKACY-CYBMUJFWSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1ocnc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1 ZINC001571238254 953227576 /nfs/dbraw/zinc/22/75/76/953227576.db2.gz YCQLWPUSMVKACY-CYBMUJFWSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1cc(C(=O)N2CCC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)on1 ZINC001571238314 953227886 /nfs/dbraw/zinc/22/78/86/953227886.db2.gz ZJNURZOIQPQKDK-UHFFFAOYSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1cc(C(=O)N2CCC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)on1 ZINC001571238314 953227889 /nfs/dbraw/zinc/22/78/89/953227889.db2.gz ZJNURZOIQPQKDK-UHFFFAOYSA-N -1 3 384.400 0.868 20 0 GCADHM Cn1cc(C(=O)NC2CCC(Nc3nccnc3-c3nnn[n-]3)CC2)[nH]c1=O ZINC001571238796 953232813 /nfs/dbraw/zinc/23/28/13/953232813.db2.gz MVZNDBHWWAMDIQ-UHFFFAOYSA-N -1 3 384.404 0.249 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)[nH]c1=O ZINC001571239847 953243693 /nfs/dbraw/zinc/24/36/93/953243693.db2.gz ZNHCZNJHENDACF-UWVGGRQHSA-N -1 3 384.404 0.106 20 0 GCADHM NC(=O)c1cccc(S(=O)(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c1 ZINC001571241667 953248949 /nfs/dbraw/zinc/24/89/49/953248949.db2.gz HQFLBKOBNCFJOB-AWEZNQCLSA-N -1 3 384.421 0.411 20 0 GCADHM NC(=O)c1cccc(S(=O)(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001571241667 953248951 /nfs/dbraw/zinc/24/89/51/953248951.db2.gz HQFLBKOBNCFJOB-AWEZNQCLSA-N -1 3 384.421 0.411 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC2(C1)C[C@@H](NC(=O)C1CC1)CO2 ZINC001571241777 953249882 /nfs/dbraw/zinc/24/98/82/953249882.db2.gz LEKAGWRQQVIPFG-OAHLLOKOSA-N -1 3 384.440 0.745 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571241872 953250520 /nfs/dbraw/zinc/25/05/20/953250520.db2.gz OEELQOKAUGPHBU-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571241872 953250524 /nfs/dbraw/zinc/25/05/24/953250524.db2.gz OEELQOKAUGPHBU-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM NC(=O)CSc1ccccc1NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571241970 953251094 /nfs/dbraw/zinc/25/10/94/953251094.db2.gz RJUWLPQDNXBWJV-UHFFFAOYSA-N -1 3 384.425 0.890 20 0 GCADHM NC(=O)CSc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571241970 953251096 /nfs/dbraw/zinc/25/10/96/953251096.db2.gz RJUWLPQDNXBWJV-UHFFFAOYSA-N -1 3 384.425 0.890 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001571242032 953252304 /nfs/dbraw/zinc/25/23/04/953252304.db2.gz TUUIRVHFTUQLSY-MEBBXXQBSA-N -1 3 384.444 0.307 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001571242032 953252305 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ZINC001571246128 953280480 /nfs/dbraw/zinc/28/04/80/953280480.db2.gz UNYGKIRJXUFMCV-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571246128 953280481 /nfs/dbraw/zinc/28/04/81/953280481.db2.gz UNYGKIRJXUFMCV-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001571246179 953281218 /nfs/dbraw/zinc/28/12/18/953281218.db2.gz VPJMTVQONMHUMH-AWEZNQCLSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001571246179 953281220 /nfs/dbraw/zinc/28/12/20/953281220.db2.gz VPJMTVQONMHUMH-AWEZNQCLSA-N -1 3 384.448 0.714 20 0 GCADHM CCn1ncc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1 ZINC001571246245 953281615 /nfs/dbraw/zinc/28/16/15/953281615.db2.gz WVIOFVOTQKXOGG-WCQYABFASA-N -1 3 384.448 0.589 20 0 GCADHM CCn1ncc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1 ZINC001571246245 953281618 /nfs/dbraw/zinc/28/16/18/953281618.db2.gz WVIOFVOTQKXOGG-WCQYABFASA-N -1 3 384.448 0.589 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571247589 953283665 /nfs/dbraw/zinc/28/36/65/953283665.db2.gz ASMPQKSTKHXLOB-HBJVGIJOSA-N -1 3 384.444 0.613 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571247589 953283669 /nfs/dbraw/zinc/28/36/69/953283669.db2.gz ASMPQKSTKHXLOB-HBJVGIJOSA-N -1 3 384.444 0.613 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2C)n1 ZINC001571247645 953284558 /nfs/dbraw/zinc/28/45/58/953284558.db2.gz AXJIEXOYFQCLQR-MPKXVKKWSA-N -1 3 384.444 0.307 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C)C3)C[C@H]2C)n1 ZINC001571247645 953284563 /nfs/dbraw/zinc/28/45/63/953284563.db2.gz AXJIEXOYFQCLQR-MPKXVKKWSA-N -1 3 384.444 0.307 20 0 GCADHM O=C(CCc1cnccn1)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571248747 953296754 /nfs/dbraw/zinc/29/67/54/953296754.db2.gz YYVJHOULIHXZMP-UHFFFAOYSA-N -1 3 384.469 0.995 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001571248790 953297093 /nfs/dbraw/zinc/29/70/93/953297093.db2.gz IKVJCWHVUASNJO-MJBXVCDLSA-N -1 3 384.444 0.566 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001571248790 953297098 /nfs/dbraw/zinc/29/70/98/953297098.db2.gz IKVJCWHVUASNJO-MJBXVCDLSA-N -1 3 384.444 0.566 20 0 GCADHM O=c1cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571248872 953297662 /nfs/dbraw/zinc/29/76/62/953297662.db2.gz KXGCOMLOOOJDCH-LSDHHAIUSA-N -1 3 384.444 0.988 20 0 GCADHM O=c1cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571248872 953297666 /nfs/dbraw/zinc/29/76/66/953297666.db2.gz KXGCOMLOOOJDCH-LSDHHAIUSA-N -1 3 384.444 0.988 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)n1 ZINC001571248850 953297945 /nfs/dbraw/zinc/29/79/45/953297945.db2.gz KFVKLXHXUPHHDG-ZDEQEGDKSA-N -1 3 384.444 0.388 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@@H]3C(N)=O)C2)n1 ZINC001571248850 953297949 /nfs/dbraw/zinc/29/79/49/953297949.db2.gz KFVKLXHXUPHHDG-ZDEQEGDKSA-N -1 3 384.444 0.388 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)[C@H]3CCNC(=O)CC3)C2)ccc1-c1nnn[n-]1 ZINC001571248825 953297983 /nfs/dbraw/zinc/29/79/83/953297983.db2.gz JMHGCNMAWNDIMM-OLZOCXBDSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)[C@H]3CCNC(=O)CC3)C2)ccc1-c1nn[n-]n1 ZINC001571248825 953297985 /nfs/dbraw/zinc/29/79/85/953297985.db2.gz JMHGCNMAWNDIMM-OLZOCXBDSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)[C@H]3CCNC(=O)CC3)C2)n1 ZINC001571248953 953298905 /nfs/dbraw/zinc/29/89/05/953298905.db2.gz MQDIMAIHWTYQOW-OLZOCXBDSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)[C@H]3CCNC(=O)CC3)C2)n1 ZINC001571248953 953298908 /nfs/dbraw/zinc/29/89/08/953298908.db2.gz MQDIMAIHWTYQOW-OLZOCXBDSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC001571248970 953299334 /nfs/dbraw/zinc/29/93/34/953299334.db2.gz NCPCJXDEGGVTSC-GXTWGEPZSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC001571248970 953299337 /nfs/dbraw/zinc/29/93/37/953299337.db2.gz NCPCJXDEGGVTSC-GXTWGEPZSA-N -1 3 384.444 0.451 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571249304 953303133 /nfs/dbraw/zinc/30/31/33/953303133.db2.gz OARRMRCNIIVIAD-LLVKDONJSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571249304 953303137 /nfs/dbraw/zinc/30/31/37/953303137.db2.gz OARRMRCNIIVIAD-LLVKDONJSA-N -1 3 384.448 0.546 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 ZINC001571249347 953303296 /nfs/dbraw/zinc/30/32/96/953303296.db2.gz OQXVLSACRKTUTR-ZDUSSCGKSA-N -1 3 384.444 0.595 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 ZINC001571249347 953303302 /nfs/dbraw/zinc/30/33/02/953303302.db2.gz OQXVLSACRKTUTR-ZDUSSCGKSA-N -1 3 384.444 0.595 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCC(CCNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571249350 953303945 /nfs/dbraw/zinc/30/39/45/953303945.db2.gz OTJFMYHQUNETMS-OAHLLOKOSA-N -1 3 384.444 0.581 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCC(CCNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571249350 953303948 /nfs/dbraw/zinc/30/39/48/953303948.db2.gz OTJFMYHQUNETMS-OAHLLOKOSA-N -1 3 384.444 0.581 20 0 GCADHM Cc1nc(N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571249380 953304355 /nfs/dbraw/zinc/30/43/55/953304355.db2.gz PDBVEEBLNXXUOS-GOSISDBHSA-N -1 3 384.444 0.135 20 0 GCADHM Cc1nc(N2CCN(C(=O)[C@]3(C)CCNC(=O)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571249380 953304359 /nfs/dbraw/zinc/30/43/59/953304359.db2.gz PDBVEEBLNXXUOS-GOSISDBHSA-N -1 3 384.444 0.135 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@H]1CCC(=O)NC1 ZINC001571249424 953304804 /nfs/dbraw/zinc/30/48/04/953304804.db2.gz PNHMFHJLWQPLJM-STQMWFEESA-N -1 3 384.444 0.263 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@H]1CCC(=O)NC1 ZINC001571249424 953304807 /nfs/dbraw/zinc/30/48/07/953304807.db2.gz PNHMFHJLWQPLJM-STQMWFEESA-N -1 3 384.444 0.263 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571249446 953305709 /nfs/dbraw/zinc/30/57/09/953305709.db2.gz PXSBRJBRVLTSHD-TZMCWYRMSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571249446 953305713 /nfs/dbraw/zinc/30/57/13/953305713.db2.gz PXSBRJBRVLTSHD-TZMCWYRMSA-N -1 3 384.444 0.181 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001571250027 953308624 /nfs/dbraw/zinc/30/86/24/953308624.db2.gz NLJQYMYGCCLITR-CQSZACIVSA-N -1 3 384.488 0.827 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001571250027 953308627 /nfs/dbraw/zinc/30/86/27/953308627.db2.gz NLJQYMYGCCLITR-CQSZACIVSA-N -1 3 384.488 0.827 20 0 GCADHM O=C(CN1CCCC1=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571250290 953310222 /nfs/dbraw/zinc/31/02/22/953310222.db2.gz QGKMQQIQCGXPRY-CYBMUJFWSA-N -1 3 384.444 0.535 20 0 GCADHM O=C(CN1CCCC1=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571250290 953310224 /nfs/dbraw/zinc/31/02/24/953310224.db2.gz QGKMQQIQCGXPRY-CYBMUJFWSA-N -1 3 384.444 0.535 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571252147 953323909 /nfs/dbraw/zinc/32/39/09/953323909.db2.gz XHEHJGZRDAIPFR-KZULUSFZSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571252147 953323914 /nfs/dbraw/zinc/32/39/14/953323914.db2.gz XHEHJGZRDAIPFR-KZULUSFZSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571252150 953324644 /nfs/dbraw/zinc/32/46/44/953324644.db2.gz XHEHJGZRDAIPFR-XIKOKIGWSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571252150 953324647 /nfs/dbraw/zinc/32/46/47/953324647.db2.gz XHEHJGZRDAIPFR-XIKOKIGWSA-N -1 3 384.444 0.499 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571252417 953328288 /nfs/dbraw/zinc/32/82/88/953328288.db2.gz ZYOUFDUZUIPBQK-OLZOCXBDSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571252417 953328292 /nfs/dbraw/zinc/32/82/92/953328292.db2.gz ZYOUFDUZUIPBQK-OLZOCXBDSA-N -1 3 384.444 0.581 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571252423 953328314 /nfs/dbraw/zinc/32/83/14/953328314.db2.gz ZYOUZLMHHGSZKG-XQHKEYJVSA-N -1 3 384.444 0.531 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571252423 953328317 /nfs/dbraw/zinc/32/83/17/953328317.db2.gz ZYOUZLMHHGSZKG-XQHKEYJVSA-N -1 3 384.444 0.531 20 0 GCADHM COc1cnc(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)nc1 ZINC001571254250 953336931 /nfs/dbraw/zinc/33/69/31/953336931.db2.gz AUORGQKTZUCKLS-JTQLQIEISA-N -1 3 385.363 0.208 20 0 GCADHM COc1cnc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)nc1 ZINC001571254250 953336933 /nfs/dbraw/zinc/33/69/33/953336933.db2.gz AUORGQKTZUCKLS-JTQLQIEISA-N -1 3 385.363 0.208 20 0 GCADHM C[C@H](NC(=O)c1ccco1)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001571254491 953339253 /nfs/dbraw/zinc/33/92/53/953339253.db2.gz ACDOWCBUZQUCRW-IINYFYTJSA-N -1 3 385.384 0.447 20 0 GCADHM C[C@H](NC(=O)c1ccco1)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001571254491 953339257 /nfs/dbraw/zinc/33/92/57/953339257.db2.gz ACDOWCBUZQUCRW-IINYFYTJSA-N -1 3 385.384 0.447 20 0 GCADHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1Br)C(=O)NCCF ZINC001571254623 953340315 /nfs/dbraw/zinc/34/03/15/953340315.db2.gz FHGNMVSFSYPVGJ-ZETCQYMHSA-N -1 3 385.197 0.833 20 0 GCADHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1Br)C(=O)NCCF ZINC001571254623 953340320 /nfs/dbraw/zinc/34/03/20/953340320.db2.gz FHGNMVSFSYPVGJ-ZETCQYMHSA-N -1 3 385.197 0.833 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)c1ccn(C2CCOCC2)n1 ZINC001571255413 953348656 /nfs/dbraw/zinc/34/86/56/953348656.db2.gz JNRRDLCKSZOOII-UHFFFAOYSA-N -1 3 385.388 0.394 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)c1ccn(C2CCOCC2)n1 ZINC001571255413 953348660 /nfs/dbraw/zinc/34/86/60/953348660.db2.gz JNRRDLCKSZOOII-UHFFFAOYSA-N -1 3 385.388 0.394 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571255477 953349726 /nfs/dbraw/zinc/34/97/26/953349726.db2.gz LGXZJAFWSIRIKQ-NSHDSACASA-N -1 3 385.363 0.247 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571255477 953349728 /nfs/dbraw/zinc/34/97/28/953349728.db2.gz LGXZJAFWSIRIKQ-NSHDSACASA-N -1 3 385.363 0.247 20 0 GCADHM Cc1ccc(F)c(CN2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)c1 ZINC001571255783 953355672 /nfs/dbraw/zinc/35/56/72/953355672.db2.gz TWMRYKJQLNRZSC-CVEARBPZSA-N -1 3 385.403 0.617 20 0 GCADHM Cc1ccc(F)c(CN2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)c1 ZINC001571255783 953355680 /nfs/dbraw/zinc/35/56/80/953355680.db2.gz TWMRYKJQLNRZSC-CVEARBPZSA-N -1 3 385.403 0.617 20 0 GCADHM O=C(c1cc2n(n1)CCO2)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571255765 953356557 /nfs/dbraw/zinc/35/65/57/953356557.db2.gz OUOQSEIUGZHAOE-SNVBAGLBSA-N -1 3 385.363 0.316 20 0 GCADHM O=C(c1cc2n(n1)CCO2)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571255765 953356561 /nfs/dbraw/zinc/35/65/61/953356561.db2.gz OUOQSEIUGZHAOE-SNVBAGLBSA-N -1 3 385.363 0.316 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1cnn(C)c1 ZINC001571256077 953361257 /nfs/dbraw/zinc/36/12/57/953361257.db2.gz XRPVEXUDHLTNFA-GXFFZTMASA-N -1 3 385.407 0.951 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1cnn(C)c1 ZINC001571256077 953361263 /nfs/dbraw/zinc/36/12/63/953361263.db2.gz XRPVEXUDHLTNFA-GXFFZTMASA-N -1 3 385.407 0.951 20 0 GCADHM C[C@]1(CNc2ncc(-c3nnn[n-]3)cc2F)CCN(C(=O)Cn2cccn2)C1 ZINC001571256074 953361798 /nfs/dbraw/zinc/36/17/98/953361798.db2.gz XLKPQPSURUWJLC-QGZVFWFLSA-N -1 3 385.407 0.948 20 0 GCADHM C[C@]1(CNc2ncc(-c3nn[n-]n3)cc2F)CCN(C(=O)Cn2cccn2)C1 ZINC001571256074 953361807 /nfs/dbraw/zinc/36/18/07/953361807.db2.gz XLKPQPSURUWJLC-QGZVFWFLSA-N -1 3 385.407 0.948 20 0 GCADHM Cc1nonc1C(=O)NC1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571256221 953366345 /nfs/dbraw/zinc/36/63/45/953366345.db2.gz QMOOCTPDCQYWIS-UHFFFAOYSA-N -1 3 385.388 0.357 20 0 GCADHM Cc1nonc1C(=O)NC1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571256221 953366351 /nfs/dbraw/zinc/36/63/51/953366351.db2.gz QMOOCTPDCQYWIS-UHFFFAOYSA-N -1 3 385.388 0.357 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(I)cc1N ZINC001593699458 954099026 /nfs/dbraw/zinc/09/90/26/954099026.db2.gz JGCIZNWBPSEPRH-UHFFFAOYSA-N -1 3 391.209 0.962 20 0 GCADHM CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001593700463 954109496 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/nfs/dbraw/zinc/21/14/80/530211480.db2.gz DDNMVVODYOQFCD-UHFFFAOYSA-N -1 3 381.376 0.756 20 0 GCADHM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H](CO)O1 ZINC000558564452 530211543 /nfs/dbraw/zinc/21/15/43/530211543.db2.gz RMJUQFBVMORBCP-UWVGGRQHSA-N -1 3 397.280 0.880 20 0 GCADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)N1CCN(C)CC1 ZINC000647900769 530212006 /nfs/dbraw/zinc/21/20/06/530212006.db2.gz SXINXBGZKCYBIT-LLVKDONJSA-N -1 3 383.440 0.979 20 0 GCADHM CC(C)C[C@H](CNC(=O)C[N-]S(=O)(=O)c1cccs1)N1CCOCC1 ZINC000046412712 530212335 /nfs/dbraw/zinc/21/23/35/530212335.db2.gz UPKMQQIQDDSBRK-CQSZACIVSA-N -1 3 389.543 0.890 20 0 GCADHM CCCCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000267549172 530213516 /nfs/dbraw/zinc/21/35/16/530213516.db2.gz CTQYIFARTSUZCD-GFCCVEGCSA-N -1 3 392.499 0.926 20 0 GCADHM O=C(CN1CCCNC1=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000558724109 530213646 /nfs/dbraw/zinc/21/36/46/530213646.db2.gz FDLDCAQQHBABQV-UHFFFAOYSA-N -1 3 392.840 0.289 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)c(C)o1 ZINC000267598333 530214447 /nfs/dbraw/zinc/21/44/47/530214447.db2.gz PRUJHKYUSPUCKM-LBPRGKRZSA-N -1 3 387.483 0.632 20 0 GCADHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)N1CCOCC1 ZINC000267597302 530214494 /nfs/dbraw/zinc/21/44/94/530214494.db2.gz CLNNXEXGXBJCQE-SNVBAGLBSA-N -1 3 376.456 0.450 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N([C@H](C)CS(C)(=O)=O)C2CC2)c(C)o1 ZINC000267601749 530214581 /nfs/dbraw/zinc/21/45/81/530214581.db2.gz QIYQGOGTJUBDJI-SECBINFHSA-N -1 3 378.472 0.534 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2CC(=O)OC)c(C)o1 ZINC000267623273 530214701 /nfs/dbraw/zinc/21/47/01/530214701.db2.gz VBDASPGGTJZRIK-JTQLQIEISA-N -1 3 376.456 0.617 20 0 GCADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC2(CS(C)(=O)=O)CC2)s1 ZINC000267652156 530215398 /nfs/dbraw/zinc/21/53/98/530215398.db2.gz AMTRQUJAXJCAAT-UHFFFAOYSA-N -1 3 397.496 0.646 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1F ZINC000267743044 530215931 /nfs/dbraw/zinc/21/59/31/530215931.db2.gz NVIXXNTYKXDRJD-NXEZZACHSA-N -1 3 380.463 0.627 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)NCCN1CCOCC1 ZINC000414460654 530218095 /nfs/dbraw/zinc/21/80/95/530218095.db2.gz CVLWJAQVUYDYSP-UHFFFAOYSA-N -1 3 379.841 0.206 20 0 GCADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CO[C@@H]2CCOC2)s1 ZINC000267901920 530218111 /nfs/dbraw/zinc/21/81/11/530218111.db2.gz WOCRVQFBKVEWBL-DGCLKSJQSA-N -1 3 376.500 0.899 20 0 GCADHM COC[C@H](CCO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000558888071 530218266 /nfs/dbraw/zinc/21/82/66/530218266.db2.gz VBHAJABORDMTFK-NSHDSACASA-N -1 3 397.856 0.454 20 0 GCADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCOc3c(Cl)cccc32)c1 ZINC000268000199 530219527 /nfs/dbraw/zinc/21/95/27/530219527.db2.gz CUFKVGOYGGLGFO-LBPRGKRZSA-N -1 3 384.845 0.992 20 0 GCADHM CC(C)(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)S(C)(=O)=O ZINC000269829839 530251014 /nfs/dbraw/zinc/25/10/14/530251014.db2.gz WVZQGCPUBYJOMR-UHFFFAOYSA-N -1 3 388.920 0.619 20 0 GCADHM COc1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)nn1 ZINC000269826840 530251036 /nfs/dbraw/zinc/25/10/36/530251036.db2.gz VZHVRQMMNBBICB-UHFFFAOYSA-N -1 3 376.847 0.908 20 0 GCADHM CC[C@@]([N-]S(=O)(=O)CCNS(=O)(=O)CC)(C(=O)OC)c1ccccc1 ZINC000268044488 530220492 /nfs/dbraw/zinc/22/04/92/530220492.db2.gz PQRZZIORFDWDIL-HNNXBMFYSA-N -1 3 392.499 0.324 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@]2(C)CCS(=O)(=O)C2)cc(F)c1F ZINC000268060083 530220896 /nfs/dbraw/zinc/22/08/96/530220896.db2.gz YBRGYHUVJBKOSF-ZDUSSCGKSA-N -1 3 383.394 0.607 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)c(C)o1 ZINC000268081428 530221263 /nfs/dbraw/zinc/22/12/63/530221263.db2.gz IEUUXJLPLQDHOH-SNVBAGLBSA-N -1 3 382.485 0.056 20 0 GCADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(C)nc2C)s1 ZINC000268092853 530221340 /nfs/dbraw/zinc/22/13/40/530221340.db2.gz YTFKUDSJMIDSDD-UHFFFAOYSA-N -1 3 382.467 0.923 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)[N-]c2sccc2C(=O)OC)C1 ZINC000271307072 530271130 /nfs/dbraw/zinc/27/11/30/530271130.db2.gz HSNHAHDYGGPBRZ-VIFPVBQESA-N -1 3 389.455 0.013 20 0 GCADHM COC[C@@H](CCO)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000271304847 530271204 /nfs/dbraw/zinc/27/12/04/530271204.db2.gz XEPHUKSIUVHVJB-SSDOTTSWSA-N -1 3 377.893 0.481 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCC[C@H](O)C1 ZINC000153754694 530273403 /nfs/dbraw/zinc/27/34/03/530273403.db2.gz ARCYFESSXVILCN-QMMMGPOBSA-N -1 3 383.289 0.772 20 0 GCADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N(C)CCOCCCOC)s1 ZINC000271590571 530273683 /nfs/dbraw/zinc/27/36/83/530273683.db2.gz JROWHYUBUGRHLC-UHFFFAOYSA-N -1 3 379.504 0.851 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(c2cccs2)CC1 ZINC000134731742 530294215 /nfs/dbraw/zinc/29/42/15/530294215.db2.gz ZHWQNQIVMBIFFN-UHFFFAOYSA-N -1 3 399.270 0.709 20 0 GCADHM CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000271712750 530275360 /nfs/dbraw/zinc/27/53/60/530275360.db2.gz PUPCJHJTGFSPQA-QPUJVOFHSA-N -1 3 386.492 0.588 20 0 GCADHM CN(C)C(=O)NCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000271803270 530275995 /nfs/dbraw/zinc/27/59/95/530275995.db2.gz WXJKDXQSDCIGAS-UHFFFAOYSA-N -1 3 383.879 0.293 20 0 GCADHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000271796608 530276096 /nfs/dbraw/zinc/27/60/96/530276096.db2.gz VVAPHROMHKNVQL-NSHDSACASA-N -1 3 392.499 0.265 20 0 GCADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274231491 530294296 /nfs/dbraw/zinc/29/42/96/530294296.db2.gz PODRNEOWDJULKQ-LBPRGKRZSA-N -1 3 386.499 0.479 20 0 GCADHM C[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H](O)Cc1ccccc1 ZINC000151751946 530294322 /nfs/dbraw/zinc/29/43/22/530294322.db2.gz HSOLHGLPSMGCHA-MFKMUULPSA-N -1 3 396.241 0.407 20 0 GCADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CC(=O)N1CCOCC1 ZINC000271992639 530277455 /nfs/dbraw/zinc/27/74/55/530277455.db2.gz QIGJIKAQVXJKGB-UHFFFAOYSA-N -1 3 376.818 0.264 20 0 GCADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cccc2nonc21 ZINC000271970988 530277630 /nfs/dbraw/zinc/27/76/30/530277630.db2.gz OKORFUZLHIYJHF-HZMBPMFUSA-N -1 3 387.439 0.237 20 0 GCADHM CS(=O)(=O)CCS(=O)(=O)[N-][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000272006069 530278013 /nfs/dbraw/zinc/27/80/13/530278013.db2.gz FEZIEBRLLBUENK-GFCCVEGCSA-N -1 3 398.865 0.548 20 0 GCADHM CCOCCOC1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000272099335 530278515 /nfs/dbraw/zinc/27/85/15/530278515.db2.gz WQIWMTQIMJZMCQ-UHFFFAOYSA-N -1 3 396.462 0.623 20 0 GCADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](CO)C2)cc1F ZINC000272142077 530278543 /nfs/dbraw/zinc/27/85/43/530278543.db2.gz VKIKMYACLZQXJW-LLVKDONJSA-N -1 3 380.463 0.979 20 0 GCADHM C[C@H]1CNCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000126148946 530279277 /nfs/dbraw/zinc/27/92/77/530279277.db2.gz DEVFGVVRXLIFJV-QMMMGPOBSA-N -1 3 382.305 0.609 20 0 GCADHM O=C1CN(CCC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCN1 ZINC000272228093 530279441 /nfs/dbraw/zinc/27/94/41/530279441.db2.gz TZGQWIDUSCPFPT-UHFFFAOYSA-N -1 3 383.367 0.945 20 0 GCADHM CO[C@H](C)[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000427605572 530280061 /nfs/dbraw/zinc/28/00/61/530280061.db2.gz ATZOWYYOTWUYSV-NXEZZACHSA-N -1 3 377.488 0.202 20 0 GCADHM CN(CCS(C)(=O)=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000272360393 530280125 /nfs/dbraw/zinc/28/01/25/530280125.db2.gz FFALIDVEBUFKRW-UHFFFAOYSA-N -1 3 393.462 0.775 20 0 GCADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CCCN2CCCO[C@H](C)C2)s1 ZINC000561545459 530280732 /nfs/dbraw/zinc/28/07/32/530280732.db2.gz CNVNRHJUCOXMBL-LLVKDONJSA-N -1 3 376.504 0.881 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H]([C@@H](C)O)C2)c(OC)c1 ZINC000272486881 530280868 /nfs/dbraw/zinc/28/08/68/530280868.db2.gz ZRAGFHNXVGGVOW-VXGBXAGGSA-N -1 3 392.499 0.848 20 0 GCADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126815066 530281284 /nfs/dbraw/zinc/28/12/84/530281284.db2.gz UQTWSOMCNGXQEW-QWHCGFSZSA-N -1 3 383.499 0.945 20 0 GCADHM COC[C@@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)OC ZINC000272725792 530282387 /nfs/dbraw/zinc/28/23/87/530282387.db2.gz JWNJJUNEKGYFPQ-SECBINFHSA-N -1 3 385.895 0.640 20 0 GCADHM CC[C@]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)(C(N)=O)C(C)C ZINC000272742746 530282598 /nfs/dbraw/zinc/28/25/98/530282598.db2.gz HAFOWLFCTPCXAD-OAHLLOKOSA-N -1 3 391.877 0.773 20 0 GCADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CC23CC[NH2+]CC3)c(F)c1 ZINC000647303372 530285452 /nfs/dbraw/zinc/28/54/52/530285452.db2.gz VQRSNODZHQLFQP-CYBMUJFWSA-N -1 3 377.463 0.618 20 0 GCADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCc2cc(Br)cs2)c1 ZINC000129453910 530285698 /nfs/dbraw/zinc/28/56/98/530285698.db2.gz VEAMIVOEZXMETO-UHFFFAOYSA-N -1 3 393.288 0.839 20 0 GCADHM Cc1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)sc1C(=O)[O-] ZINC000562178572 530289128 /nfs/dbraw/zinc/28/91/28/530289128.db2.gz ZFBSWZXEFVHHFP-NSHDSACASA-N -1 3 389.499 0.620 20 0 GCADHM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000273569291 530289470 /nfs/dbraw/zinc/28/94/70/530289470.db2.gz IPTDHBLDKYWRGP-GFCCVEGCSA-N -1 3 392.499 0.265 20 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GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000737025426 598823130 /nfs/dbraw/zinc/82/31/30/598823130.db2.gz QIEDYZIUSPRZSJ-WDEREUQCSA-N -1 3 397.457 0.534 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000737025426 598823131 /nfs/dbraw/zinc/82/31/31/598823131.db2.gz QIEDYZIUSPRZSJ-WDEREUQCSA-N -1 3 397.457 0.534 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736655300 598824432 /nfs/dbraw/zinc/82/44/32/598824432.db2.gz AVXVOCLYQXXXGB-SWLSCSKDSA-N -1 3 392.485 0.775 20 0 GCADHM NC(=O)CN(CC(N)=O)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737749683 598826106 /nfs/dbraw/zinc/82/61/06/598826106.db2.gz ZLZSZBHQLSXUBG-UHFFFAOYSA-N -1 3 395.379 0.072 20 0 GCADHM NC(=O)CN(CC(N)=O)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737749683 598826108 /nfs/dbraw/zinc/82/61/08/598826108.db2.gz ZLZSZBHQLSXUBG-UHFFFAOYSA-N -1 3 395.379 0.072 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000736881186 598827360 /nfs/dbraw/zinc/82/73/60/598827360.db2.gz ANMJJERDAMAMAK-RYUDHWBXSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000736881186 598827361 /nfs/dbraw/zinc/82/73/61/598827361.db2.gz ANMJJERDAMAMAK-RYUDHWBXSA-N -1 3 394.457 0.174 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736655673 598836359 /nfs/dbraw/zinc/83/63/59/598836359.db2.gz CNHFEWMSRSNTEE-NSHDSACASA-N -1 3 387.487 0.452 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736655673 598836362 /nfs/dbraw/zinc/83/63/62/598836362.db2.gz CNHFEWMSRSNTEE-NSHDSACASA-N -1 3 387.487 0.452 20 0 GCADHM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508353 598836437 /nfs/dbraw/zinc/83/64/37/598836437.db2.gz KJZLPDDSWKBTJU-NSHDSACASA-N -1 3 387.487 0.701 20 0 GCADHM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508353 598836438 /nfs/dbraw/zinc/83/64/38/598836438.db2.gz KJZLPDDSWKBTJU-NSHDSACASA-N -1 3 387.487 0.701 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736885106 598840360 /nfs/dbraw/zinc/84/03/60/598840360.db2.gz XDVMRTPLFYVQIE-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736885106 598840362 /nfs/dbraw/zinc/84/03/62/598840362.db2.gz XDVMRTPLFYVQIE-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM CCc1nc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000736703942 598843688 /nfs/dbraw/zinc/84/36/88/598843688.db2.gz IJMQOSUUTTZNOS-UHFFFAOYSA-N -1 3 392.397 0.470 20 0 GCADHM CCc1nc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000736703942 598843690 /nfs/dbraw/zinc/84/36/90/598843690.db2.gz IJMQOSUUTTZNOS-UHFFFAOYSA-N -1 3 392.397 0.470 20 0 GCADHM O=C(OCCCN1C(=O)CNC1=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738219771 598845584 /nfs/dbraw/zinc/84/55/84/598845584.db2.gz AYKQDWYNZFMSJE-AWEZNQCLSA-N -1 3 399.411 0.321 20 0 GCADHM Cn1nnnc1COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737626763 598845657 /nfs/dbraw/zinc/84/56/57/598845657.db2.gz KPTWYYNIHRGLRG-UHFFFAOYSA-N -1 3 379.340 0.935 20 0 GCADHM Cn1nnnc1COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737626763 598845659 /nfs/dbraw/zinc/84/56/59/598845659.db2.gz KPTWYYNIHRGLRG-UHFFFAOYSA-N -1 3 379.340 0.935 20 0 GCADHM COC(=O)N[C@H](C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736935971 598845961 /nfs/dbraw/zinc/84/59/61/598845961.db2.gz LTMQMLKJNHEEMY-AWEZNQCLSA-N -1 3 390.400 0.407 20 0 GCADHM COC(=O)N[C@H](C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736935971 598845962 /nfs/dbraw/zinc/84/59/62/598845962.db2.gz LTMQMLKJNHEEMY-AWEZNQCLSA-N -1 3 390.400 0.407 20 0 GCADHM COC(=O)NCCCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736936215 598846113 /nfs/dbraw/zinc/84/61/13/598846113.db2.gz DCMUUMVHIKLMRJ-SNVBAGLBSA-N -1 3 376.373 0.873 20 0 GCADHM COC(=O)NCCCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736936215 598846114 /nfs/dbraw/zinc/84/61/14/598846114.db2.gz DCMUUMVHIKLMRJ-SNVBAGLBSA-N -1 3 376.373 0.873 20 0 GCADHM COC(=O)NCCCC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736939480 598846766 /nfs/dbraw/zinc/84/67/66/598846766.db2.gz ZDPSJXMPHWWHDI-CYBMUJFWSA-N -1 3 388.384 0.651 20 0 GCADHM COC(=O)NCCCC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736939480 598846767 /nfs/dbraw/zinc/84/67/67/598846767.db2.gz ZDPSJXMPHWWHDI-CYBMUJFWSA-N -1 3 388.384 0.651 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CC2)n1C ZINC000737519546 598846951 /nfs/dbraw/zinc/84/69/51/598846951.db2.gz ABAKYIORMADGJC-UHFFFAOYSA-N -1 3 396.459 0.060 20 0 GCADHM O=C(COC[C@@H]1CCCO1)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737915212 598848505 /nfs/dbraw/zinc/84/85/05/598848505.db2.gz AENDZSGPWPEPPC-GJZGRUSLSA-N -1 3 387.396 0.711 20 0 GCADHM O=C(COC[C@@H]1CCCO1)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737915212 598848507 /nfs/dbraw/zinc/84/85/07/598848507.db2.gz AENDZSGPWPEPPC-GJZGRUSLSA-N -1 3 387.396 0.711 20 0 GCADHM C[C@@H](OC(=O)COC[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736156493 598848914 /nfs/dbraw/zinc/84/89/14/598848914.db2.gz WUBCZDNNTVBZQE-NEPJUHHUSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@@H](OC(=O)COC[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736156493 598848915 /nfs/dbraw/zinc/84/89/15/598848915.db2.gz WUBCZDNNTVBZQE-NEPJUHHUSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@H](OC(=O)COC[C@H]1CCCO1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736155445 598849258 /nfs/dbraw/zinc/84/92/58/598849258.db2.gz NRLSCOGKWVCXMG-SMDDNHRTSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@H](OC(=O)COC[C@H]1CCCO1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736155445 598849260 /nfs/dbraw/zinc/84/92/60/598849260.db2.gz NRLSCOGKWVCXMG-SMDDNHRTSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@@H](OC(=O)COC[C@@H]1CCCO1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736155444 598849273 /nfs/dbraw/zinc/84/92/73/598849273.db2.gz NRLSCOGKWVCXMG-RISCZKNCSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@@H](OC(=O)COC[C@@H]1CCCO1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736155444 598849275 /nfs/dbraw/zinc/84/92/75/598849275.db2.gz NRLSCOGKWVCXMG-RISCZKNCSA-N -1 3 375.385 0.933 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000737524516 598850367 /nfs/dbraw/zinc/85/03/67/598850367.db2.gz MKYPHYDNUSAHRR-AWEZNQCLSA-N -1 3 388.457 0.510 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000737524516 598850369 /nfs/dbraw/zinc/85/03/69/598850369.db2.gz MKYPHYDNUSAHRR-AWEZNQCLSA-N -1 3 388.457 0.510 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000737919556 598850537 /nfs/dbraw/zinc/85/05/37/598850537.db2.gz NVAWORFUFVLSQO-UHFFFAOYSA-N -1 3 394.317 0.898 20 0 GCADHM COCCCNC(=O)CN(C)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736986493 598850756 /nfs/dbraw/zinc/85/07/56/598850756.db2.gz MRIYXJMVIZKFJB-UHFFFAOYSA-N -1 3 399.459 0.476 20 0 GCADHM COCCCNC(=O)CN(C)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000736986493 598850758 /nfs/dbraw/zinc/85/07/58/598850758.db2.gz MRIYXJMVIZKFJB-UHFFFAOYSA-N -1 3 399.459 0.476 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736037375 598851890 /nfs/dbraw/zinc/85/18/90/598851890.db2.gz GHTROXGNLWAUTP-NSHDSACASA-N -1 3 398.514 0.832 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736037375 598851891 /nfs/dbraw/zinc/85/18/91/598851891.db2.gz GHTROXGNLWAUTP-NSHDSACASA-N -1 3 398.514 0.832 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C)CCS(C)(=O)=O ZINC000737526178 598852281 /nfs/dbraw/zinc/85/22/81/598852281.db2.gz XSENDMQKVMLMBS-UHFFFAOYSA-N -1 3 376.446 0.368 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C)CCS(C)(=O)=O ZINC000737526178 598852283 /nfs/dbraw/zinc/85/22/83/598852283.db2.gz XSENDMQKVMLMBS-UHFFFAOYSA-N -1 3 376.446 0.368 20 0 GCADHM O=C(NCCN1C(=O)CNC1=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738074860 598853320 /nfs/dbraw/zinc/85/33/20/598853320.db2.gz KZLZGOMXMOWMJQ-UHFFFAOYSA-N -1 3 396.314 0.141 20 0 GCADHM O=C(NCCN1C(=O)CNC1=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738074860 598853322 /nfs/dbraw/zinc/85/33/22/598853322.db2.gz KZLZGOMXMOWMJQ-UHFFFAOYSA-N -1 3 396.314 0.141 20 0 GCADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCN1C(=O)CNC1=O ZINC000735874062 598853560 /nfs/dbraw/zinc/85/35/60/598853560.db2.gz HKNLBXGOMWEKHA-UHFFFAOYSA-N -1 3 386.416 0.339 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1C(=O)CNC1=O ZINC000735874062 598853562 /nfs/dbraw/zinc/85/35/62/598853562.db2.gz HKNLBXGOMWEKHA-UHFFFAOYSA-N -1 3 386.416 0.339 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735572947 598855083 /nfs/dbraw/zinc/85/50/83/598855083.db2.gz ZEUZCSGKHIUEJB-RKDXNWHRSA-N -1 3 398.420 0.224 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735572947 598855085 /nfs/dbraw/zinc/85/50/85/598855085.db2.gz ZEUZCSGKHIUEJB-RKDXNWHRSA-N -1 3 398.420 0.224 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000736633950 598856011 /nfs/dbraw/zinc/85/60/11/598856011.db2.gz FQJLBZHJSACBGO-UHFFFAOYSA-N -1 3 399.455 0.901 20 0 GCADHM COCCCNC(=O)CN(C)[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988023 598861855 /nfs/dbraw/zinc/86/18/55/598861855.db2.gz YSSPXGQUVPYGKR-OAHLLOKOSA-N -1 3 376.417 0.165 20 0 GCADHM COCCCNC(=O)CN(C)[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988023 598861856 /nfs/dbraw/zinc/86/18/56/598861856.db2.gz YSSPXGQUVPYGKR-OAHLLOKOSA-N -1 3 376.417 0.165 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000736901085 598862427 /nfs/dbraw/zinc/86/24/27/598862427.db2.gz IEASYGZMGIHHTI-HZPDHXFCSA-N -1 3 383.412 0.678 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000736901085 598862429 /nfs/dbraw/zinc/86/24/29/598862429.db2.gz IEASYGZMGIHHTI-HZPDHXFCSA-N -1 3 383.412 0.678 20 0 GCADHM CSCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737181136 598863424 /nfs/dbraw/zinc/86/34/24/598863424.db2.gz HNSCVWCOXPWODP-LBPRGKRZSA-N -1 3 389.441 0.551 20 0 GCADHM CSCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737181136 598863426 /nfs/dbraw/zinc/86/34/26/598863426.db2.gz HNSCVWCOXPWODP-LBPRGKRZSA-N -1 3 389.441 0.551 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736885195 598863462 /nfs/dbraw/zinc/86/34/62/598863462.db2.gz ZJTDGMFGJSPBMA-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736885195 598863463 /nfs/dbraw/zinc/86/34/63/598863463.db2.gz ZJTDGMFGJSPBMA-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NCc1ccoc1 ZINC000737826128 598865060 /nfs/dbraw/zinc/86/50/60/598865060.db2.gz QCHYZYFVKTYYHE-CQSZACIVSA-N -1 3 395.379 0.981 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NCc1ccoc1 ZINC000737826128 598865061 /nfs/dbraw/zinc/86/50/61/598865061.db2.gz QCHYZYFVKTYYHE-CQSZACIVSA-N -1 3 395.379 0.981 20 0 GCADHM C[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736279563 598866363 /nfs/dbraw/zinc/86/63/63/598866363.db2.gz ZAHVORQTCFTGDO-RISCZKNCSA-N -1 3 383.412 0.940 20 0 GCADHM C[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736279563 598866364 /nfs/dbraw/zinc/86/63/64/598866364.db2.gz ZAHVORQTCFTGDO-RISCZKNCSA-N -1 3 383.412 0.940 20 0 GCADHM CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736589685 598867193 /nfs/dbraw/zinc/86/71/93/598867193.db2.gz ADPOZCWQGFSCNV-NSHDSACASA-N -1 3 383.405 0.970 20 0 GCADHM CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736589685 598867194 /nfs/dbraw/zinc/86/71/94/598867194.db2.gz ADPOZCWQGFSCNV-NSHDSACASA-N -1 3 383.405 0.970 20 0 GCADHM O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738340528 598867809 /nfs/dbraw/zinc/86/78/09/598867809.db2.gz XKBKMASNBVQDBS-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738340528 598867810 /nfs/dbraw/zinc/86/78/10/598867810.db2.gz XKBKMASNBVQDBS-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM CCCNC(=O)CN(CCC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736483522 598870746 /nfs/dbraw/zinc/87/07/46/598870746.db2.gz MOQJQKJQMSFQGT-UHFFFAOYSA-N -1 3 384.437 0.933 20 0 GCADHM CCCNC(=O)CN(CCC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736483522 598870747 /nfs/dbraw/zinc/87/07/47/598870747.db2.gz MOQJQKJQMSFQGT-UHFFFAOYSA-N -1 3 384.437 0.933 20 0 GCADHM NC(=O)Cc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737757864 598872370 /nfs/dbraw/zinc/87/23/70/598872370.db2.gz BFVFJJLXZGSYLM-UHFFFAOYSA-N -1 3 377.357 0.801 20 0 GCADHM NC(=O)Cc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737757864 598872372 /nfs/dbraw/zinc/87/23/72/598872372.db2.gz BFVFJJLXZGSYLM-UHFFFAOYSA-N -1 3 377.357 0.801 20 0 GCADHM O=C1CCCN1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000738302831 598873916 /nfs/dbraw/zinc/87/39/16/598873916.db2.gz NPNLAISQGCTDIW-UHFFFAOYSA-N -1 3 394.432 0.781 20 0 GCADHM O=C1CCCN1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738302831 598873918 /nfs/dbraw/zinc/87/39/18/598873918.db2.gz NPNLAISQGCTDIW-UHFFFAOYSA-N -1 3 394.432 0.781 20 0 GCADHM NC(=O)COc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737754500 598877208 /nfs/dbraw/zinc/87/72/08/598877208.db2.gz WXDWDZLOTPGCHA-UHFFFAOYSA-N -1 3 393.356 0.638 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735572517 598874562 /nfs/dbraw/zinc/87/45/62/598874562.db2.gz XARMWEYCHLXYHV-RKDXNWHRSA-N -1 3 391.450 0.448 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735572517 598874563 /nfs/dbraw/zinc/87/45/63/598874563.db2.gz XARMWEYCHLXYHV-RKDXNWHRSA-N -1 3 391.450 0.448 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000736885718 598875608 /nfs/dbraw/zinc/87/56/08/598875608.db2.gz BJJLWKUQIREISD-UHFFFAOYSA-N -1 3 390.404 0.585 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000736885718 598875610 /nfs/dbraw/zinc/87/56/10/598875610.db2.gz BJJLWKUQIREISD-UHFFFAOYSA-N -1 3 390.404 0.585 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC000737004881 598876083 /nfs/dbraw/zinc/87/60/83/598876083.db2.gz POZPVOJZYBSLCU-LLVKDONJSA-N -1 3 384.437 0.347 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC000737004881 598876084 /nfs/dbraw/zinc/87/60/84/598876084.db2.gz POZPVOJZYBSLCU-LLVKDONJSA-N -1 3 384.437 0.347 20 0 GCADHM NC(=O)COc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737752475 598877043 /nfs/dbraw/zinc/87/70/43/598877043.db2.gz HBUDIKDSYPLSSR-UHFFFAOYSA-N -1 3 393.356 0.638 20 0 GCADHM NC(=O)COc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737752475 598877046 /nfs/dbraw/zinc/87/70/46/598877046.db2.gz HBUDIKDSYPLSSR-UHFFFAOYSA-N -1 3 393.356 0.638 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738356198 598877612 /nfs/dbraw/zinc/87/76/12/598877612.db2.gz YKMFVDUPWYHGQN-SNVBAGLBSA-N -1 3 381.311 0.958 20 0 GCADHM COCCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736988516 598878532 /nfs/dbraw/zinc/87/85/32/598878532.db2.gz SWDGFRRPMHKKNZ-ZDUSSCGKSA-N -1 3 388.384 0.651 20 0 GCADHM COCCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736988516 598878533 /nfs/dbraw/zinc/87/85/33/598878533.db2.gz SWDGFRRPMHKKNZ-ZDUSSCGKSA-N -1 3 388.384 0.651 20 0 GCADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCN1C(=O)CCC1=O ZINC000735874142 598879179 /nfs/dbraw/zinc/87/91/79/598879179.db2.gz IDKPUQMXHZROTE-UHFFFAOYSA-N -1 3 385.428 0.936 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1C(=O)CCC1=O ZINC000735874142 598879181 /nfs/dbraw/zinc/87/91/81/598879181.db2.gz IDKPUQMXHZROTE-UHFFFAOYSA-N -1 3 385.428 0.936 20 0 GCADHM COC[C@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736967614 598882112 /nfs/dbraw/zinc/88/21/12/598882112.db2.gz BPYZFBRNTONXMJ-GXFFZTMASA-N -1 3 388.384 0.650 20 0 GCADHM COC[C@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736967614 598882114 /nfs/dbraw/zinc/88/21/14/598882114.db2.gz BPYZFBRNTONXMJ-GXFFZTMASA-N -1 3 388.384 0.650 20 0 GCADHM CCc1nnc2n1C[C@H](N[C@@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736711314 598883796 /nfs/dbraw/zinc/88/37/96/598883796.db2.gz VMNSBXHDSUAGSY-CZUORRHYSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nnc2n1C[C@H](N[C@@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736711314 598883797 /nfs/dbraw/zinc/88/37/97/598883797.db2.gz VMNSBXHDSUAGSY-CZUORRHYSA-N -1 3 382.428 0.839 20 0 GCADHM COC(=O)[C@@H](N[C@@H](C)C(=O)NCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899114 598883934 /nfs/dbraw/zinc/88/39/34/598883934.db2.gz XPCGYLDYDACOIH-NHYWBVRUSA-N -1 3 384.396 0.968 20 0 GCADHM COC(=O)[C@@H](N[C@@H](C)C(=O)NCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899114 598883936 /nfs/dbraw/zinc/88/39/36/598883936.db2.gz XPCGYLDYDACOIH-NHYWBVRUSA-N -1 3 384.396 0.968 20 0 GCADHM COC(=O)[C@H](Nc1ccn(CC(=O)N(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894391 598885952 /nfs/dbraw/zinc/88/59/52/598885952.db2.gz CMCJYYOPRMZGDP-OAHLLOKOSA-N -1 3 384.400 0.478 20 0 GCADHM COC(=O)[C@H](Nc1ccn(CC(=O)N(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894391 598885953 /nfs/dbraw/zinc/88/59/53/598885953.db2.gz CMCJYYOPRMZGDP-OAHLLOKOSA-N -1 3 384.400 0.478 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898576 598896405 /nfs/dbraw/zinc/89/64/05/598896405.db2.gz PRCFHZAWIVVMHM-NWDGAFQWSA-N -1 3 380.382 0.059 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898576 598896407 /nfs/dbraw/zinc/89/64/07/598896407.db2.gz PRCFHZAWIVVMHM-NWDGAFQWSA-N -1 3 380.382 0.059 20 0 GCADHM CN(C)C(=O)CCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736747262 598895595 /nfs/dbraw/zinc/89/55/95/598895595.db2.gz QFFNMTRMMJFOJL-UHFFFAOYSA-N -1 3 389.435 0.913 20 0 GCADHM CCOC(=O)NCCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736600444 598896066 /nfs/dbraw/zinc/89/60/66/598896066.db2.gz LBXUJHIZMFTANZ-CYBMUJFWSA-N -1 3 377.357 0.760 20 0 GCADHM CCOC(=O)NCCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736600444 598896067 /nfs/dbraw/zinc/89/60/67/598896067.db2.gz LBXUJHIZMFTANZ-CYBMUJFWSA-N -1 3 377.357 0.760 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901239 598896805 /nfs/dbraw/zinc/89/68/05/598896805.db2.gz XEFPACRCPBJNHP-IINYFYTJSA-N -1 3 394.409 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901239 598896807 /nfs/dbraw/zinc/89/68/07/598896807.db2.gz XEFPACRCPBJNHP-IINYFYTJSA-N -1 3 394.409 0.449 20 0 GCADHM Cc1nc(CN2CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)no1 ZINC000737476699 598897878 /nfs/dbraw/zinc/89/78/78/598897878.db2.gz GWFHFXDHKZEVBJ-UHFFFAOYSA-N -1 3 389.445 0.376 20 0 GCADHM Cc1nc(CN2CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)no1 ZINC000737476699 598897879 /nfs/dbraw/zinc/89/78/79/598897879.db2.gz GWFHFXDHKZEVBJ-UHFFFAOYSA-N -1 3 389.445 0.376 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCCNC(=O)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900733 598898115 /nfs/dbraw/zinc/89/81/15/598898115.db2.gz UFMSOXDLDDTTRE-HNNXBMFYSA-N -1 3 387.396 0.930 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCCNC(=O)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900733 598898117 /nfs/dbraw/zinc/89/81/17/598898117.db2.gz UFMSOXDLDDTTRE-HNNXBMFYSA-N -1 3 387.396 0.930 20 0 GCADHM CCCNC(=O)CCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736483506 598899937 /nfs/dbraw/zinc/89/99/37/598899937.db2.gz LWABQTDNBALHNS-HNNXBMFYSA-N -1 3 375.385 0.930 20 0 GCADHM CCCNC(=O)CCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736483506 598899938 /nfs/dbraw/zinc/89/99/38/598899938.db2.gz LWABQTDNBALHNS-HNNXBMFYSA-N -1 3 375.385 0.930 20 0 GCADHM COC(=O)[C@H](OC(=O)c1ccc2nncn2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900999 598900105 /nfs/dbraw/zinc/90/01/05/598900105.db2.gz VTWVYPAJOBYZFN-CQSZACIVSA-N -1 3 379.336 0.981 20 0 GCADHM COC(=O)[C@H](OC(=O)c1ccc2nncn2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900999 598900107 /nfs/dbraw/zinc/90/01/07/598900107.db2.gz VTWVYPAJOBYZFN-CQSZACIVSA-N -1 3 379.336 0.981 20 0 GCADHM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738356702 598901150 /nfs/dbraw/zinc/90/11/50/598901150.db2.gz IPHOVIVMJXLTSN-MRVPVSSYSA-N -1 3 391.862 0.376 20 0 GCADHM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738356702 598901151 /nfs/dbraw/zinc/90/11/51/598901151.db2.gz IPHOVIVMJXLTSN-MRVPVSSYSA-N -1 3 391.862 0.376 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900494 598902209 /nfs/dbraw/zinc/90/22/09/598902209.db2.gz SAEQBYBFXMHZSR-HNNXBMFYSA-N -1 3 396.363 0.449 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900494 598902212 /nfs/dbraw/zinc/90/22/12/598902212.db2.gz SAEQBYBFXMHZSR-HNNXBMFYSA-N -1 3 396.363 0.449 20 0 GCADHM O=C(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737910017 598903798 /nfs/dbraw/zinc/90/37/98/598903798.db2.gz XAKFCZXZKNVUER-GOOCMWNKSA-N -1 3 399.407 0.268 20 0 GCADHM O=C(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737910017 598903799 /nfs/dbraw/zinc/90/37/99/598903799.db2.gz XAKFCZXZKNVUER-GOOCMWNKSA-N -1 3 399.407 0.268 20 0 GCADHM O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738024304 598910779 /nfs/dbraw/zinc/91/07/79/598910779.db2.gz KJNJTFSBPNBWHR-HIFRSBDPSA-N -1 3 390.469 0.529 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCS(=O)(=O)C1 ZINC000737930617 598910879 /nfs/dbraw/zinc/91/08/79/598910879.db2.gz CPSYEBOVSGODLS-ZDUSSCGKSA-N -1 3 381.483 0.793 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCS(=O)(=O)C1 ZINC000737930617 598910880 /nfs/dbraw/zinc/91/08/80/598910880.db2.gz CPSYEBOVSGODLS-ZDUSSCGKSA-N -1 3 381.483 0.793 20 0 GCADHM O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738024311 598911015 /nfs/dbraw/zinc/91/10/15/598911015.db2.gz KJNJTFSBPNBWHR-ZFWWWQNUSA-N -1 3 390.469 0.529 20 0 GCADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)N1CCS(=O)CC1 ZINC000735665115 598911591 /nfs/dbraw/zinc/91/15/91/598911591.db2.gz CUSKXUBFGHELGD-FPLPWBNLSA-N -1 3 388.497 0.839 20 0 GCADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)N1CCS(=O)CC1 ZINC000735665115 598911592 /nfs/dbraw/zinc/91/15/92/598911592.db2.gz CUSKXUBFGHELGD-FPLPWBNLSA-N -1 3 388.497 0.839 20 0 GCADHM NC(=O)N1CC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000737758611 598912206 /nfs/dbraw/zinc/91/22/06/598912206.db2.gz OERBRVPSCVUAOI-CYBMUJFWSA-N -1 3 394.395 0.937 20 0 GCADHM NC(=O)N1CC[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000737758611 598912208 /nfs/dbraw/zinc/91/22/08/598912208.db2.gz OERBRVPSCVUAOI-CYBMUJFWSA-N -1 3 394.395 0.937 20 0 GCADHM CN(CCN1CCOCC1)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736798585 598915337 /nfs/dbraw/zinc/91/53/37/598915337.db2.gz AOZRUUHXLOORSW-UHFFFAOYSA-N -1 3 379.852 0.723 20 0 GCADHM CN(CCN1CCOCC1)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736798585 598915338 /nfs/dbraw/zinc/91/53/38/598915338.db2.gz AOZRUUHXLOORSW-UHFFFAOYSA-N -1 3 379.852 0.723 20 0 GCADHM Cc1nc(CN2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000737477276 598917274 /nfs/dbraw/zinc/91/72/74/598917274.db2.gz MBEHUCIOIDLHJV-UHFFFAOYSA-N -1 3 383.416 0.314 20 0 GCADHM Cc1nc(CN2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737477276 598917275 /nfs/dbraw/zinc/91/72/75/598917275.db2.gz MBEHUCIOIDLHJV-UHFFFAOYSA-N -1 3 383.416 0.314 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736140795 598920125 /nfs/dbraw/zinc/92/01/25/598920125.db2.gz CHBRXUMMSRBTPV-SFHVURJKSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736140795 598920127 /nfs/dbraw/zinc/92/01/27/598920127.db2.gz CHBRXUMMSRBTPV-SFHVURJKSA-N -1 3 382.428 0.881 20 0 GCADHM Cc1cnn(CCC(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737448820 598922296 /nfs/dbraw/zinc/92/22/96/598922296.db2.gz QJCGJAUDIVYCSU-UHFFFAOYSA-N -1 3 378.400 0.711 20 0 GCADHM Cc1nc(NC(=O)Cc2c(C)noc2C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737479508 598922541 /nfs/dbraw/zinc/92/25/41/598922541.db2.gz BAWDIZBZEKHLQB-UHFFFAOYSA-N -1 3 379.384 0.964 20 0 GCADHM COc1ncc(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737164026 598923485 /nfs/dbraw/zinc/92/34/85/598923485.db2.gz XQDCEDYFJSUZBK-CYBMUJFWSA-N -1 3 381.352 0.628 20 0 GCADHM COc1ncc(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737164026 598923486 /nfs/dbraw/zinc/92/34/86/598923486.db2.gz XQDCEDYFJSUZBK-CYBMUJFWSA-N -1 3 381.352 0.628 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(c2nccn2C)CC1 ZINC000736184842 598925157 /nfs/dbraw/zinc/92/51/57/598925157.db2.gz OCVPYPJONJABLP-CYBMUJFWSA-N -1 3 382.428 0.716 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(c2nccn2C)CC1 ZINC000736184842 598925159 /nfs/dbraw/zinc/92/51/59/598925159.db2.gz OCVPYPJONJABLP-CYBMUJFWSA-N -1 3 382.428 0.716 20 0 GCADHM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736913385 598929272 /nfs/dbraw/zinc/92/92/72/598929272.db2.gz OWBXEACONOMUOO-HNNXBMFYSA-N -1 3 389.412 0.816 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(CCn2cncn2)CC1 ZINC000736184880 598930422 /nfs/dbraw/zinc/93/04/22/598930422.db2.gz OYBSQPNRLKTHGQ-AWEZNQCLSA-N -1 3 397.443 0.070 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(CCn2cncn2)CC1 ZINC000736184880 598930424 /nfs/dbraw/zinc/93/04/24/598930424.db2.gz OYBSQPNRLKTHGQ-AWEZNQCLSA-N -1 3 397.443 0.070 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCN(CCn2cncn2)CC1 ZINC000737802918 598931381 /nfs/dbraw/zinc/93/13/81/598931381.db2.gz YNVCPLJTYLZESV-WAYWQWQTSA-N -1 3 379.428 0.316 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCN(CCn2cncn2)CC1 ZINC000737802918 598931383 /nfs/dbraw/zinc/93/13/83/598931383.db2.gz YNVCPLJTYLZESV-WAYWQWQTSA-N -1 3 379.428 0.316 20 0 GCADHM Cc1nc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737481574 598932385 /nfs/dbraw/zinc/93/23/85/598932385.db2.gz ZQTVDHFNRGXILN-JTQLQIEISA-N -1 3 397.443 0.667 20 0 GCADHM NC(=O)c1cccnc1N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000737764686 598940603 /nfs/dbraw/zinc/94/06/03/598940603.db2.gz NCVNIIVBNPOBRW-UHFFFAOYSA-N -1 3 385.819 0.736 20 0 GCADHM NC(=O)c1cccnc1N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737764686 598940604 /nfs/dbraw/zinc/94/06/04/598940604.db2.gz NCVNIIVBNPOBRW-UHFFFAOYSA-N -1 3 385.819 0.736 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000737160692 598944210 /nfs/dbraw/zinc/94/42/10/598944210.db2.gz BOEXHBDQMRLABM-VXGBXAGGSA-N -1 3 379.442 0.718 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737160692 598944212 /nfs/dbraw/zinc/94/42/12/598944212.db2.gz BOEXHBDQMRLABM-VXGBXAGGSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000736182727 598944593 /nfs/dbraw/zinc/94/45/93/598944593.db2.gz PCELJIOZKZWSBY-RYUDHWBXSA-N -1 3 379.442 0.527 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000736182727 598944595 /nfs/dbraw/zinc/94/45/95/598944595.db2.gz PCELJIOZKZWSBY-RYUDHWBXSA-N -1 3 379.442 0.527 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736790421 598945980 /nfs/dbraw/zinc/94/59/80/598945980.db2.gz HVHOSNBLDHRKOM-NSHDSACASA-N -1 3 381.483 0.852 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736790421 598945982 /nfs/dbraw/zinc/94/59/82/598945982.db2.gz HVHOSNBLDHRKOM-NSHDSACASA-N -1 3 381.483 0.852 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000737023180 598946041 /nfs/dbraw/zinc/94/60/41/598946041.db2.gz DIDRDRFQYPUXTR-NSHDSACASA-N -1 3 395.441 0.147 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000737023180 598946042 /nfs/dbraw/zinc/94/60/42/598946042.db2.gz DIDRDRFQYPUXTR-NSHDSACASA-N -1 3 395.441 0.147 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000736600861 598947163 /nfs/dbraw/zinc/94/71/63/598947163.db2.gz OWHCTLVXGYMFEH-UHFFFAOYSA-N -1 3 380.430 0.638 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736600861 598947165 /nfs/dbraw/zinc/94/71/65/598947165.db2.gz OWHCTLVXGYMFEH-UHFFFAOYSA-N -1 3 380.430 0.638 20 0 GCADHM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736472995 598948344 /nfs/dbraw/zinc/94/83/44/598948344.db2.gz VXDADOBLDXYADP-ZDUSSCGKSA-N -1 3 399.498 0.763 20 0 GCADHM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736472995 598948345 /nfs/dbraw/zinc/94/83/45/598948345.db2.gz VXDADOBLDXYADP-ZDUSSCGKSA-N -1 3 399.498 0.763 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000737224584 598948700 /nfs/dbraw/zinc/94/87/00/598948700.db2.gz XRHHFHNPKVUUHP-AWEZNQCLSA-N -1 3 384.421 0.780 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000737224584 598948702 /nfs/dbraw/zinc/94/87/02/598948702.db2.gz XRHHFHNPKVUUHP-AWEZNQCLSA-N -1 3 384.421 0.780 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000737297574 598948723 /nfs/dbraw/zinc/94/87/23/598948723.db2.gz CMBCVTYSXSEMSC-UHFFFAOYSA-N -1 3 378.458 0.664 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000737297574 598948725 /nfs/dbraw/zinc/94/87/25/598948725.db2.gz CMBCVTYSXSEMSC-UHFFFAOYSA-N -1 3 378.458 0.664 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000737301164 598949310 /nfs/dbraw/zinc/94/93/10/598949310.db2.gz JXTIJNCVCMGWAC-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000737301164 598949312 /nfs/dbraw/zinc/94/93/12/598949312.db2.gz JXTIJNCVCMGWAC-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CCNC(=O)C1 ZINC000735569478 598949590 /nfs/dbraw/zinc/94/95/90/598949590.db2.gz IBFPSRMQCADIIQ-SNVBAGLBSA-N -1 3 389.485 0.956 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1CCNC(=O)C1 ZINC000735569478 598949593 /nfs/dbraw/zinc/94/95/93/598949593.db2.gz IBFPSRMQCADIIQ-SNVBAGLBSA-N -1 3 389.485 0.956 20 0 GCADHM CC(C)CCn1cc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC000735818653 598949721 /nfs/dbraw/zinc/94/97/21/598949721.db2.gz QHGAXHPYTADPNE-UHFFFAOYSA-N -1 3 396.459 0.862 20 0 GCADHM CC(C)CCn1cc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC000735818653 598949722 /nfs/dbraw/zinc/94/97/22/598949722.db2.gz QHGAXHPYTADPNE-UHFFFAOYSA-N -1 3 396.459 0.862 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(c2nncn2C)CC1 ZINC000737221476 598950699 /nfs/dbraw/zinc/95/06/99/598950699.db2.gz MYHAPMDJDQUROL-UHFFFAOYSA-N -1 3 388.457 0.872 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(c2nncn2C)CC1 ZINC000737221476 598950700 /nfs/dbraw/zinc/95/07/00/598950700.db2.gz MYHAPMDJDQUROL-UHFFFAOYSA-N -1 3 388.457 0.872 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC(=O)NCC(F)(F)F ZINC000737298072 598953308 /nfs/dbraw/zinc/95/33/08/598953308.db2.gz NPBXWFWFZVESKR-UHFFFAOYSA-N -1 3 378.336 0.132 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC(=O)NCC(F)(F)F ZINC000737298072 598953310 /nfs/dbraw/zinc/95/33/10/598953310.db2.gz NPBXWFWFZVESKR-UHFFFAOYSA-N -1 3 378.336 0.132 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737162317 598953338 /nfs/dbraw/zinc/95/33/38/598953338.db2.gz OZOPEJSDUZULJQ-UONOGXRCSA-N -1 3 378.458 0.751 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCN1C(=O)CSC1=O ZINC000737297710 598953630 /nfs/dbraw/zinc/95/36/30/598953630.db2.gz KCGCPPJYEMSGMD-UHFFFAOYSA-N -1 3 382.427 0.149 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCN1C(=O)CSC1=O ZINC000737297710 598953632 /nfs/dbraw/zinc/95/36/32/598953632.db2.gz KCGCPPJYEMSGMD-UHFFFAOYSA-N -1 3 382.427 0.149 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCCC[C@H]1O ZINC000737928117 598955492 /nfs/dbraw/zinc/95/54/92/598955492.db2.gz DYEOFVLMGFJDCQ-LSDHHAIUSA-N -1 3 393.469 0.449 20 0 GCADHM CN(C)c1nccc(N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)n1 ZINC000736777686 598958008 /nfs/dbraw/zinc/95/80/08/598958008.db2.gz ASBQPTNVPMNNKY-UHFFFAOYSA-N -1 3 382.432 0.915 20 0 GCADHM COC(=O)c1ccc(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000736948978 598957248 /nfs/dbraw/zinc/95/72/48/598957248.db2.gz ZZEPFXPSXCZHJB-UHFFFAOYSA-N -1 3 377.382 0.866 20 0 GCADHM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736507183 598957589 /nfs/dbraw/zinc/95/75/89/598957589.db2.gz BKVJLDGAPQQDIV-LLVKDONJSA-N -1 3 387.487 0.619 20 0 GCADHM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736507183 598957590 /nfs/dbraw/zinc/95/75/90/598957590.db2.gz BKVJLDGAPQQDIV-LLVKDONJSA-N -1 3 387.487 0.619 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000737296214 598958196 /nfs/dbraw/zinc/95/81/96/598958196.db2.gz FFDXDPNUYDAKTE-AWEZNQCLSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000737296214 598958197 /nfs/dbraw/zinc/95/81/97/598958197.db2.gz FFDXDPNUYDAKTE-AWEZNQCLSA-N -1 3 390.469 0.951 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736748881 598959539 /nfs/dbraw/zinc/95/95/39/598959539.db2.gz YVXJSYCNLUOOQF-CABCVRRESA-N -1 3 392.485 0.933 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736748881 598959540 /nfs/dbraw/zinc/95/95/40/598959540.db2.gz YVXJSYCNLUOOQF-CABCVRRESA-N -1 3 392.485 0.933 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736748723 598959564 /nfs/dbraw/zinc/95/95/64/598959564.db2.gz WSSMGIKDQPXDDG-GHMZBOCLSA-N -1 3 396.448 0.931 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736748723 598959565 /nfs/dbraw/zinc/95/95/65/598959565.db2.gz WSSMGIKDQPXDDG-GHMZBOCLSA-N -1 3 396.448 0.931 20 0 GCADHM NC(=O)COc1cccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000737753702 598960239 /nfs/dbraw/zinc/96/02/39/598960239.db2.gz PIMLLVMQBFVOHS-INIZCTEOSA-N -1 3 393.407 0.948 20 0 GCADHM NC(=O)COc1cccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000737753702 598960241 /nfs/dbraw/zinc/96/02/41/598960241.db2.gz PIMLLVMQBFVOHS-INIZCTEOSA-N -1 3 393.407 0.948 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736748654 598964865 /nfs/dbraw/zinc/96/48/65/598964865.db2.gz WCLUJMHBWWYDLP-LSDHHAIUSA-N -1 3 399.455 0.360 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736748654 598964867 /nfs/dbraw/zinc/96/48/67/598964867.db2.gz WCLUJMHBWWYDLP-LSDHHAIUSA-N -1 3 399.455 0.360 20 0 GCADHM COc1cc(CCNC(=O)NCCNc2ncccc2-c2nnn[n-]2)ccc1O ZINC000737043932 598967156 /nfs/dbraw/zinc/96/71/56/598967156.db2.gz MHTRVEFIVGYRIP-UHFFFAOYSA-N -1 3 398.427 0.930 20 0 GCADHM COc1cc(CCNC(=O)NCCNc2ncccc2-c2nn[n-]n2)ccc1O ZINC000737043932 598967157 /nfs/dbraw/zinc/96/71/57/598967157.db2.gz MHTRVEFIVGYRIP-UHFFFAOYSA-N -1 3 398.427 0.930 20 0 GCADHM CN(C)C(=O)Cc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736746500 598962899 /nfs/dbraw/zinc/96/28/99/598962899.db2.gz JULZWUWRSUWWSC-CYBMUJFWSA-N -1 3 381.444 0.848 20 0 GCADHM CN(C)C(=O)Cc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736746500 598962901 /nfs/dbraw/zinc/96/29/01/598962901.db2.gz JULZWUWRSUWWSC-CYBMUJFWSA-N -1 3 381.444 0.848 20 0 GCADHM C[C@@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCO1 ZINC000736155052 598964371 /nfs/dbraw/zinc/96/43/71/598964371.db2.gz GJWJTOJVNXCKIM-RISCZKNCSA-N -1 3 375.385 0.472 20 0 GCADHM C[C@@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCO1 ZINC000736155052 598964373 /nfs/dbraw/zinc/96/43/73/598964373.db2.gz GJWJTOJVNXCKIM-RISCZKNCSA-N -1 3 375.385 0.472 20 0 GCADHM O=C(NCCn1cccn1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738094800 598973976 /nfs/dbraw/zinc/97/39/76/598973976.db2.gz KNHMQHFDXARVST-UHFFFAOYSA-N -1 3 382.432 0.426 20 0 GCADHM O=C(NCCn1cccn1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738094800 598973978 /nfs/dbraw/zinc/97/39/78/598973978.db2.gz KNHMQHFDXARVST-UHFFFAOYSA-N -1 3 382.432 0.426 20 0 GCADHM CCNC(=O)N1CCN(CCOc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC000736575919 598980532 /nfs/dbraw/zinc/98/05/32/598980532.db2.gz MOCCZBVCQOBIQM-UHFFFAOYSA-N -1 3 375.433 0.601 20 0 GCADHM CCNC(=O)N1CCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC000736575919 598980533 /nfs/dbraw/zinc/98/05/33/598980533.db2.gz MOCCZBVCQOBIQM-UHFFFAOYSA-N -1 3 375.433 0.601 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(c2ncccn2)CC1 ZINC000737033807 598981476 /nfs/dbraw/zinc/98/14/76/598981476.db2.gz ZHDDGEZOXPDQBK-UHFFFAOYSA-N -1 3 382.428 0.866 20 0 GCADHM CN1CCN(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)CC1=O ZINC000736863354 598990429 /nfs/dbraw/zinc/99/04/29/598990429.db2.gz JHFKKNSPRMMHJN-UHFFFAOYSA-N -1 3 389.485 0.910 20 0 GCADHM CN1CCN(CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)CC1=O ZINC000736863354 598990431 /nfs/dbraw/zinc/99/04/31/598990431.db2.gz JHFKKNSPRMMHJN-UHFFFAOYSA-N -1 3 389.485 0.910 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000735558654 598992284 /nfs/dbraw/zinc/99/22/84/598992284.db2.gz GFUCBJMFZQXDLN-NWDGAFQWSA-N -1 3 378.458 0.560 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000735558654 598992285 /nfs/dbraw/zinc/99/22/85/598992285.db2.gz GFUCBJMFZQXDLN-NWDGAFQWSA-N -1 3 378.458 0.560 20 0 GCADHM CN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C[C@H]1CCS(=O)(=O)C1 ZINC000736787727 598993684 /nfs/dbraw/zinc/99/36/84/598993684.db2.gz MUGXPQTXTMHRKR-SNVBAGLBSA-N -1 3 398.876 0.825 20 0 GCADHM CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C[C@H]1CCS(=O)(=O)C1 ZINC000736787727 598993685 /nfs/dbraw/zinc/99/36/85/598993685.db2.gz MUGXPQTXTMHRKR-SNVBAGLBSA-N -1 3 398.876 0.825 20 0 GCADHM Cc1oc(NC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000737551504 598993717 /nfs/dbraw/zinc/99/37/17/598993717.db2.gz ICKJERVGEJZELA-LLVKDONJSA-N -1 3 382.446 0.382 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)C[C@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000737549674 598995709 /nfs/dbraw/zinc/99/57/09/598995709.db2.gz WOCHXJCFRHLVMA-ZYHUDNBSSA-N -1 3 396.473 0.770 20 0 GCADHM NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737743775 598996322 /nfs/dbraw/zinc/99/63/22/598996322.db2.gz JVQXNBCEFMBDJL-INIZCTEOSA-N -1 3 392.423 0.964 20 0 GCADHM NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737743775 598996324 /nfs/dbraw/zinc/99/63/24/598996324.db2.gz JVQXNBCEFMBDJL-INIZCTEOSA-N -1 3 392.423 0.964 20 0 GCADHM CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)CC1 ZINC000736857334 598997194 /nfs/dbraw/zinc/99/71/94/598997194.db2.gz QZNSBISJTZZKBH-UHFFFAOYSA-N -1 3 392.423 0.902 20 0 GCADHM CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)CC1 ZINC000736857334 598997195 /nfs/dbraw/zinc/99/71/95/598997195.db2.gz QZNSBISJTZZKBH-UHFFFAOYSA-N -1 3 392.423 0.902 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000737225241 598996883 /nfs/dbraw/zinc/99/68/83/598996883.db2.gz AIFLYEJOSQHCKV-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc(-n2cnnn2)cc1 ZINC000737225241 598996886 /nfs/dbraw/zinc/99/68/86/598996886.db2.gz AIFLYEJOSQHCKV-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000737224420 598997739 /nfs/dbraw/zinc/99/77/39/598997739.db2.gz UZOSLIOPPDHHGD-ZIAGYGMSSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000737224420 598997741 /nfs/dbraw/zinc/99/77/41/598997741.db2.gz UZOSLIOPPDHHGD-ZIAGYGMSSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000737220161 598999355 /nfs/dbraw/zinc/99/93/55/598999355.db2.gz DNGQYEYRZSSWOY-UHFFFAOYSA-N -1 3 379.446 0.163 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000737220161 598999356 /nfs/dbraw/zinc/99/93/56/598999356.db2.gz DNGQYEYRZSSWOY-UHFFFAOYSA-N -1 3 379.446 0.163 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(N2CCNC2=O)CC1 ZINC000737222345 599000713 /nfs/dbraw/zinc/00/07/13/599000713.db2.gz YIKNFSGNNIYGLZ-UHFFFAOYSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(N2CCNC2=O)CC1 ZINC000737222345 599000714 /nfs/dbraw/zinc/00/07/14/599000714.db2.gz YIKNFSGNNIYGLZ-UHFFFAOYSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000737221463 599004780 /nfs/dbraw/zinc/00/47/80/599004780.db2.gz MUKURSHRZQNMEJ-WDEREUQCSA-N -1 3 387.487 0.617 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000737221463 599004782 /nfs/dbraw/zinc/00/47/82/599004782.db2.gz MUKURSHRZQNMEJ-WDEREUQCSA-N -1 3 387.487 0.617 20 0 GCADHM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1C)CC2 ZINC000736705456 599005172 /nfs/dbraw/zinc/00/51/72/599005172.db2.gz JHTSEUZUEKZJNG-GFCCVEGCSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1C)CC2 ZINC000736705456 599005174 /nfs/dbraw/zinc/00/51/74/599005174.db2.gz JHTSEUZUEKZJNG-GFCCVEGCSA-N -1 3 388.457 0.622 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000737224630 599007412 /nfs/dbraw/zinc/00/74/12/599007412.db2.gz YICSBHWWJXTMCA-WDEREUQCSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000737224630 599007414 /nfs/dbraw/zinc/00/74/14/599007414.db2.gz YICSBHWWJXTMCA-WDEREUQCSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCOC[C@@H]1CCOC1 ZINC000737224748 599008756 /nfs/dbraw/zinc/00/87/56/599008756.db2.gz ZYMLDZBHWZTIDC-ZDUSSCGKSA-N -1 3 381.458 0.897 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCOC[C@@H]1CCOC1 ZINC000737224748 599008758 /nfs/dbraw/zinc/00/87/58/599008758.db2.gz ZYMLDZBHWZTIDC-ZDUSSCGKSA-N -1 3 381.458 0.897 20 0 GCADHM O=S(=O)(NCCCOCC1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738337485 599009119 /nfs/dbraw/zinc/00/91/19/599009119.db2.gz DFZDTUHAUUPEDW-UHFFFAOYSA-N -1 3 381.458 0.978 20 0 GCADHM O=S(=O)(NCCCOCC1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738337485 599009120 /nfs/dbraw/zinc/00/91/20/599009120.db2.gz DFZDTUHAUUPEDW-UHFFFAOYSA-N -1 3 381.458 0.978 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737162991 599010053 /nfs/dbraw/zinc/01/00/53/599010053.db2.gz UEYPNXIZXLTRSR-KGLIPLIRSA-N -1 3 399.498 0.642 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737162991 599010054 /nfs/dbraw/zinc/01/00/54/599010054.db2.gz UEYPNXIZXLTRSR-KGLIPLIRSA-N -1 3 399.498 0.642 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000737224200 599010079 /nfs/dbraw/zinc/01/00/79/599010079.db2.gz ORBFYYUZNDLQKD-OLZOCXBDSA-N -1 3 399.498 0.809 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000737224200 599010081 /nfs/dbraw/zinc/01/00/81/599010081.db2.gz ORBFYYUZNDLQKD-OLZOCXBDSA-N -1 3 399.498 0.809 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737163386 599010180 /nfs/dbraw/zinc/01/01/80/599010180.db2.gz WNRKAXJJYLGPRL-NWDGAFQWSA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737163386 599010182 /nfs/dbraw/zinc/01/01/82/599010182.db2.gz WNRKAXJJYLGPRL-NWDGAFQWSA-N -1 3 385.471 0.501 20 0 GCADHM CN1CC(=O)N(CCCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1=O ZINC000736845144 599015168 /nfs/dbraw/zinc/01/51/68/599015168.db2.gz JGLQQVSAMVTLSZ-UHFFFAOYSA-N -1 3 376.348 0.723 20 0 GCADHM CN1CC(=O)N(CCCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1=O ZINC000736845144 599015170 /nfs/dbraw/zinc/01/51/70/599015170.db2.gz JGLQQVSAMVTLSZ-UHFFFAOYSA-N -1 3 376.348 0.723 20 0 GCADHM CC(=O)Nc1nnc(S[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735488179 599012449 /nfs/dbraw/zinc/01/24/49/599012449.db2.gz FFOQTMIJBZALKT-SECBINFHSA-N -1 3 376.427 0.995 20 0 GCADHM CC(=O)Nc1nnc(S[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735488179 599012451 /nfs/dbraw/zinc/01/24/51/599012451.db2.gz FFOQTMIJBZALKT-SECBINFHSA-N -1 3 376.427 0.995 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737638 599013517 /nfs/dbraw/zinc/01/35/17/599013517.db2.gz BPHSJBNRHPWVQX-NEPJUHHUSA-N -1 3 387.429 0.351 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737638 599013519 /nfs/dbraw/zinc/01/35/19/599013519.db2.gz BPHSJBNRHPWVQX-NEPJUHHUSA-N -1 3 387.429 0.351 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H](O)C1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900539 599016439 /nfs/dbraw/zinc/01/64/39/599016439.db2.gz YOHGGLKEBGKEOM-ZIAGYGMSSA-N -1 3 376.369 0.412 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H](O)C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900539 599016440 /nfs/dbraw/zinc/01/64/40/599016440.db2.gz YOHGGLKEBGKEOM-ZIAGYGMSSA-N -1 3 376.369 0.412 20 0 GCADHM CC(C)CCn1cc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000735819119 599016906 /nfs/dbraw/zinc/01/69/06/599016906.db2.gz SWMMUKVDQYSHRB-AWEZNQCLSA-N -1 3 384.400 0.888 20 0 GCADHM CC(C)CCn1cc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000735819119 599016908 /nfs/dbraw/zinc/01/69/08/599016908.db2.gz SWMMUKVDQYSHRB-AWEZNQCLSA-N -1 3 384.400 0.888 20 0 GCADHM Cc1sc(=O)n(CCC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1C ZINC000737561735 599022768 /nfs/dbraw/zinc/02/27/68/599022768.db2.gz KTFNGYRXCMECLI-UHFFFAOYSA-N -1 3 388.457 0.720 20 0 GCADHM Cc1sc(=O)n(CCC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1C ZINC000737561735 599022770 /nfs/dbraw/zinc/02/27/70/599022770.db2.gz KTFNGYRXCMECLI-UHFFFAOYSA-N -1 3 388.457 0.720 20 0 GCADHM CC(C)[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735734913 599023097 /nfs/dbraw/zinc/02/30/97/599023097.db2.gz PTSHAVRLWWMEAX-JTQLQIEISA-N -1 3 384.343 0.540 20 0 GCADHM CC(C)[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735734913 599023098 /nfs/dbraw/zinc/02/30/98/599023098.db2.gz PTSHAVRLWWMEAX-JTQLQIEISA-N -1 3 384.343 0.540 20 0 GCADHM C[C@H](O)C[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736144081 599024867 /nfs/dbraw/zinc/02/48/67/599024867.db2.gz MXWZJGDJFHBFNF-IUCAKERBSA-N -1 3 398.370 0.930 20 0 GCADHM C[C@H](O)C[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736144081 599024868 /nfs/dbraw/zinc/02/48/68/599024868.db2.gz MXWZJGDJFHBFNF-IUCAKERBSA-N -1 3 398.370 0.930 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000736634819 599025517 /nfs/dbraw/zinc/02/55/17/599025517.db2.gz JKQBBRSATRUPOD-OCCSQVGLSA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000736634819 599025519 /nfs/dbraw/zinc/02/55/19/599025519.db2.gz JKQBBRSATRUPOD-OCCSQVGLSA-N -1 3 388.428 0.871 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736881017 599025535 /nfs/dbraw/zinc/02/55/35/599025535.db2.gz FLVAIPUPEQCIAS-UHFFFAOYSA-N -1 3 393.407 0.524 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736881017 599025537 /nfs/dbraw/zinc/02/55/37/599025537.db2.gz FLVAIPUPEQCIAS-UHFFFAOYSA-N -1 3 393.407 0.524 20 0 GCADHM CN1CCN(c2ncccc2CNC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736868601 599025581 /nfs/dbraw/zinc/02/55/81/599025581.db2.gz VCCCUPBEQRRXDB-UHFFFAOYSA-N -1 3 379.428 0.339 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000738018734 599027068 /nfs/dbraw/zinc/02/70/68/599027068.db2.gz AIRUEQYGPXGKPI-UHFFFAOYSA-N -1 3 392.423 0.342 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000738018734 599027070 /nfs/dbraw/zinc/02/70/70/599027070.db2.gz AIRUEQYGPXGKPI-UHFFFAOYSA-N -1 3 392.423 0.342 20 0 GCADHM O=C(Cc1cc[nH]n1)N1CCN(c2oc(-c3ccco3)nc2-c2nnn[n-]2)CC1 ZINC000737975892 599030143 /nfs/dbraw/zinc/03/01/43/599030143.db2.gz WPQQTYQJHXFIBD-UHFFFAOYSA-N -1 3 395.383 0.729 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738081786 599035320 /nfs/dbraw/zinc/03/53/20/599035320.db2.gz HKCVEDTYWHBRGR-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738081786 599035323 /nfs/dbraw/zinc/03/53/23/599035323.db2.gz HKCVEDTYWHBRGR-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM NC(=O)C1(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000737742176 599038708 /nfs/dbraw/zinc/03/87/08/599038708.db2.gz ZXOZHYCEGZBFNI-HNNXBMFYSA-N -1 3 383.456 0.997 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)CCO1 ZINC000736594505 599041652 /nfs/dbraw/zinc/04/16/52/599041652.db2.gz RKUHXGDDWYSMTI-AWEZNQCLSA-N -1 3 391.384 0.045 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)CCO1 ZINC000736594505 599041655 /nfs/dbraw/zinc/04/16/55/599041655.db2.gz RKUHXGDDWYSMTI-AWEZNQCLSA-N -1 3 391.384 0.045 20 0 GCADHM COC(=O)CC(C)(C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736913185 599042156 /nfs/dbraw/zinc/04/21/56/599042156.db2.gz VZDMUWDNGLQNAJ-UHFFFAOYSA-N -1 3 384.400 0.706 20 0 GCADHM COC(=O)CC(C)(C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736913185 599042159 /nfs/dbraw/zinc/04/21/59/599042159.db2.gz VZDMUWDNGLQNAJ-UHFFFAOYSA-N -1 3 384.400 0.706 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737764278 599044426 /nfs/dbraw/zinc/04/44/26/599044426.db2.gz KCZNUTNTXRRPCJ-SSDOTTSWSA-N -1 3 377.352 0.538 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737764278 599044429 /nfs/dbraw/zinc/04/44/29/599044429.db2.gz KCZNUTNTXRRPCJ-SSDOTTSWSA-N -1 3 377.352 0.538 20 0 GCADHM C[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCS(=O)(=O)C1 ZINC000736223672 599333736 /nfs/dbraw/zinc/33/37/36/599333736.db2.gz OWCMFXXSQGPWPL-GFCCVEGCSA-N -1 3 391.862 0.376 20 0 GCADHM C[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCS(=O)(=O)C1 ZINC000736223672 599333739 /nfs/dbraw/zinc/33/37/39/599333739.db2.gz OWCMFXXSQGPWPL-GFCCVEGCSA-N -1 3 391.862 0.376 20 0 GCADHM CCOC(=O)[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000736593749 599047631 /nfs/dbraw/zinc/04/76/31/599047631.db2.gz JENJXMINCRDHDF-ZDUSSCGKSA-N -1 3 394.819 0.723 20 0 GCADHM CCOC(=O)[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000736593749 599047632 /nfs/dbraw/zinc/04/76/32/599047632.db2.gz JENJXMINCRDHDF-ZDUSSCGKSA-N -1 3 394.819 0.723 20 0 GCADHM CSC1(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CCOCC1 ZINC000821950088 599053330 /nfs/dbraw/zinc/05/33/30/599053330.db2.gz KTVSOOQUDFUBGK-UHFFFAOYSA-N -1 3 384.487 0.838 20 0 GCADHM CSC1(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CCOCC1 ZINC000821950088 599053333 /nfs/dbraw/zinc/05/33/33/599053333.db2.gz KTVSOOQUDFUBGK-UHFFFAOYSA-N -1 3 384.487 0.838 20 0 GCADHM Cn1ccnc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC000737616925 599053780 /nfs/dbraw/zinc/05/37/80/599053780.db2.gz WVUHVIDFRANMRE-UHFFFAOYSA-N -1 3 392.427 0.731 20 0 GCADHM Cn1ccnc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000737616925 599053783 /nfs/dbraw/zinc/05/37/83/599053783.db2.gz WVUHVIDFRANMRE-UHFFFAOYSA-N -1 3 392.427 0.731 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)[C@@H]2CCO[C@@H]21 ZINC000736204307 599054464 /nfs/dbraw/zinc/05/44/64/599054464.db2.gz DSBXERQBGWDNCT-IMJJTQAJSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)[C@@H]2CCO[C@@H]21 ZINC000736204307 599054468 /nfs/dbraw/zinc/05/44/68/599054468.db2.gz DSBXERQBGWDNCT-IMJJTQAJSA-N -1 3 398.471 0.907 20 0 GCADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](Cn3cncn3)C2)n1 ZINC000737631499 599054841 /nfs/dbraw/zinc/05/48/41/599054841.db2.gz FFEYQYKIZSSDLI-SECBINFHSA-N -1 3 381.322 0.777 20 0 GCADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](Cn3cncn3)C2)n1 ZINC000737631499 599054843 /nfs/dbraw/zinc/05/48/43/599054843.db2.gz FFEYQYKIZSSDLI-SECBINFHSA-N -1 3 381.322 0.777 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000737775541 599055631 /nfs/dbraw/zinc/05/56/31/599055631.db2.gz APADPJIIBWTTDL-LBPRGKRZSA-N -1 3 396.411 0.603 20 0 GCADHM NS(=O)(=O)CC1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000737764685 599057207 /nfs/dbraw/zinc/05/72/07/599057207.db2.gz KDYMWWLLAZNLMS-UHFFFAOYSA-N -1 3 391.379 0.785 20 0 GCADHM NS(=O)(=O)CC1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000737764685 599057210 /nfs/dbraw/zinc/05/72/10/599057210.db2.gz KDYMWWLLAZNLMS-UHFFFAOYSA-N -1 3 391.379 0.785 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CCO1 ZINC000736592261 599057481 /nfs/dbraw/zinc/05/74/81/599057481.db2.gz BMYZHHDSCZAQED-ZDUSSCGKSA-N -1 3 376.373 0.671 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CCO1 ZINC000736592261 599057484 /nfs/dbraw/zinc/05/74/84/599057484.db2.gz BMYZHHDSCZAQED-ZDUSSCGKSA-N -1 3 376.373 0.671 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000737294453 599059143 /nfs/dbraw/zinc/05/91/43/599059143.db2.gz OTTNVHQOCGJNHN-UHFFFAOYSA-N -1 3 380.430 0.236 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000737294453 599059146 /nfs/dbraw/zinc/05/91/46/599059146.db2.gz OTTNVHQOCGJNHN-UHFFFAOYSA-N -1 3 380.430 0.236 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000737058953 599062014 /nfs/dbraw/zinc/06/20/14/599062014.db2.gz QDEWZYOPIBZRHZ-GDLCADMTSA-N -1 3 386.412 0.744 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000737058953 599062015 /nfs/dbraw/zinc/06/20/15/599062015.db2.gz QDEWZYOPIBZRHZ-GDLCADMTSA-N -1 3 386.412 0.744 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737435603 599073095 /nfs/dbraw/zinc/07/30/95/599073095.db2.gz AQKSLQJOYLHKDG-INIZCTEOSA-N -1 3 380.412 0.667 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737435603 599073097 /nfs/dbraw/zinc/07/30/97/599073097.db2.gz AQKSLQJOYLHKDG-INIZCTEOSA-N -1 3 380.412 0.667 20 0 GCADHM Cc1c(C(=O)N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)nnn1C ZINC000737207053 599073589 /nfs/dbraw/zinc/07/35/89/599073589.db2.gz QAOQCGFZMXMEGH-UHFFFAOYSA-N -1 3 395.427 0.795 20 0 GCADHM Cc1c(C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)nnn1C ZINC000737207053 599073591 /nfs/dbraw/zinc/07/35/91/599073591.db2.gz QAOQCGFZMXMEGH-UHFFFAOYSA-N -1 3 395.427 0.795 20 0 GCADHM CCN([C@@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CCS(C)(=O)=O ZINC000821160308 599337994 /nfs/dbraw/zinc/33/79/94/599337994.db2.gz JHAGULWMHDOYQU-NSHDSACASA-N -1 3 387.487 0.624 20 0 GCADHM CCN([C@@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCS(C)(=O)=O ZINC000821160308 599337995 /nfs/dbraw/zinc/33/79/95/599337995.db2.gz JHAGULWMHDOYQU-NSHDSACASA-N -1 3 387.487 0.624 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](N[C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735943535 599074363 /nfs/dbraw/zinc/07/43/63/599074363.db2.gz TZQPZXOXAHUAKP-ZFWWWQNUSA-N -1 3 381.444 0.713 20 0 GCADHM Cc1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nnn1C ZINC000737206506 599075349 /nfs/dbraw/zinc/07/53/49/599075349.db2.gz ISAJYZFFYWVNIG-LBPRGKRZSA-N -1 3 399.440 0.457 20 0 GCADHM Cc1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nnn1C ZINC000737206506 599075351 /nfs/dbraw/zinc/07/53/51/599075351.db2.gz ISAJYZFFYWVNIG-LBPRGKRZSA-N -1 3 399.440 0.457 20 0 GCADHM Cc1nc(C)n([C@@H]2CCCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737473123 599075959 /nfs/dbraw/zinc/07/59/59/599075959.db2.gz FBJONSKECKURHJ-HZPDHXFCSA-N -1 3 381.444 0.939 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](OCCO)C2)c(-c2nnn[n-]2)c1C ZINC000737548910 599077560 /nfs/dbraw/zinc/07/75/60/599077560.db2.gz QMVLAZJPKZXUQK-AAEUAGOBSA-N -1 3 378.433 0.877 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](OCCO)C2)c(-c2nn[n-]n2)c1C ZINC000737548910 599077562 /nfs/dbraw/zinc/07/75/62/599077562.db2.gz QMVLAZJPKZXUQK-AAEUAGOBSA-N -1 3 378.433 0.877 20 0 GCADHM CN([C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736778256 599078065 /nfs/dbraw/zinc/07/80/65/599078065.db2.gz BQNIDCCVEIKAKM-NEPJUHHUSA-N -1 3 397.361 0.488 20 0 GCADHM CN([C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736778256 599078068 /nfs/dbraw/zinc/07/80/68/599078068.db2.gz BQNIDCCVEIKAKM-NEPJUHHUSA-N -1 3 397.361 0.488 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000737746077 599079430 /nfs/dbraw/zinc/07/94/30/599079430.db2.gz ZPQSQWKOJGFXIH-WBVHZDCISA-N -1 3 383.456 0.870 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000737746077 599079433 /nfs/dbraw/zinc/07/94/33/599079433.db2.gz ZPQSQWKOJGFXIH-WBVHZDCISA-N -1 3 383.456 0.870 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609058 599087909 /nfs/dbraw/zinc/08/79/09/599087909.db2.gz AFVBQEFTQSSZPO-QWGSZXSUSA-N -1 3 392.423 0.925 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609058 599087912 /nfs/dbraw/zinc/08/79/12/599087912.db2.gz AFVBQEFTQSSZPO-QWGSZXSUSA-N -1 3 392.423 0.925 20 0 GCADHM CN(Cc1ccccc1)C(=O)CN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736829156 599093399 /nfs/dbraw/zinc/09/33/99/599093399.db2.gz ZEEKYGFBWCIENU-QGZVFWFLSA-N -1 3 379.424 0.641 20 0 GCADHM CN(Cc1ccccc1)C(=O)CN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736829156 599093401 /nfs/dbraw/zinc/09/34/01/599093401.db2.gz ZEEKYGFBWCIENU-QGZVFWFLSA-N -1 3 379.424 0.641 20 0 GCADHM Cc1cccc(C(=O)NCCN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737383822 599094563 /nfs/dbraw/zinc/09/45/63/599094563.db2.gz CYAPQCYHKTYUAQ-MRXNPFEDSA-N -1 3 379.424 0.721 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000737610738 599094822 /nfs/dbraw/zinc/09/48/22/599094822.db2.gz QIWQIIDNGDXOTG-CQSZACIVSA-N -1 3 382.428 0.764 20 0 GCADHM NC(=O)[C@@H](NCCNC(=O)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739598 599095115 /nfs/dbraw/zinc/09/51/15/599095115.db2.gz ZMNFNJUCIANRNM-HNNXBMFYSA-N -1 3 383.387 0.552 20 0 GCADHM NC(=O)[C@@H](NCC(=O)NCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729668 599095961 /nfs/dbraw/zinc/09/59/61/599095961.db2.gz AVKXXDOMIKIRBW-KRWDZBQOSA-N -1 3 379.424 0.342 20 0 GCADHM NC(=O)[C@@H](NCC(=O)NCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729668 599095963 /nfs/dbraw/zinc/09/59/63/599095963.db2.gz AVKXXDOMIKIRBW-KRWDZBQOSA-N -1 3 379.424 0.342 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821568483 599102961 /nfs/dbraw/zinc/10/29/61/599102961.db2.gz WIVRGKLVADAYMJ-MRXNPFEDSA-N -1 3 380.412 0.028 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821568483 599102963 /nfs/dbraw/zinc/10/29/63/599102963.db2.gz WIVRGKLVADAYMJ-MRXNPFEDSA-N -1 3 380.412 0.028 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCC[C@@H](O)C1 ZINC000737928861 599103246 /nfs/dbraw/zinc/10/32/46/599103246.db2.gz IUYDCBCYKBIYCN-UKRRQHHQSA-N -1 3 393.469 0.449 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000737955517 599103430 /nfs/dbraw/zinc/10/34/30/599103430.db2.gz JARKKBPSWSLPDF-UHFFFAOYSA-N -1 3 396.411 0.103 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000737955517 599103433 /nfs/dbraw/zinc/10/34/33/599103433.db2.gz JARKKBPSWSLPDF-UHFFFAOYSA-N -1 3 396.411 0.103 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000738259820 599108389 /nfs/dbraw/zinc/10/83/89/599108389.db2.gz WOCHBBOZSIBTJH-UHFFFAOYSA-N -1 3 379.380 0.566 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736887322 599108587 /nfs/dbraw/zinc/10/85/87/599108587.db2.gz OOWTWEZOBLJUBB-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736887322 599108589 /nfs/dbraw/zinc/10/85/89/599108589.db2.gz OOWTWEZOBLJUBB-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM C[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737196597 599109349 /nfs/dbraw/zinc/10/93/49/599109349.db2.gz SPKJFSZZXMQOCE-ZANVPECISA-N -1 3 384.352 0.348 20 0 GCADHM C[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737196597 599109351 /nfs/dbraw/zinc/10/93/51/599109351.db2.gz SPKJFSZZXMQOCE-ZANVPECISA-N -1 3 384.352 0.348 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737769450 599110033 /nfs/dbraw/zinc/11/00/33/599110033.db2.gz KLKVRSBREZTBJX-UHFFFAOYSA-N -1 3 390.400 0.512 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737769450 599110035 /nfs/dbraw/zinc/11/00/35/599110035.db2.gz KLKVRSBREZTBJX-UHFFFAOYSA-N -1 3 390.400 0.512 20 0 GCADHM COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736939638 599114849 /nfs/dbraw/zinc/11/48/49/599114849.db2.gz JIUYATJZJSWMJF-CQSZACIVSA-N -1 3 398.379 0.982 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737178 599114399 /nfs/dbraw/zinc/11/43/99/599114399.db2.gz OYEJNJMQYSXVJE-ZDUSSCGKSA-N -1 3 386.393 0.428 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737178 599114401 /nfs/dbraw/zinc/11/44/01/599114401.db2.gz OYEJNJMQYSXVJE-ZDUSSCGKSA-N -1 3 386.393 0.428 20 0 GCADHM NC(=O)[C@H](OC(=O)CCNC(=O)c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736337 599114675 /nfs/dbraw/zinc/11/46/75/599114675.db2.gz IDIWSHNNWDMSQO-CQSZACIVSA-N -1 3 384.352 0.349 20 0 GCADHM COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736939638 599114851 /nfs/dbraw/zinc/11/48/51/599114851.db2.gz JIUYATJZJSWMJF-CQSZACIVSA-N -1 3 398.379 0.982 20 0 GCADHM NC(=O)[C@H](OC(=O)CCNC(=O)c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736337 599114679 /nfs/dbraw/zinc/11/46/79/599114679.db2.gz IDIWSHNNWDMSQO-CQSZACIVSA-N -1 3 384.352 0.349 20 0 GCADHM Cc1cc(C)n2nc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)nc2n1 ZINC000737255584 599111070 /nfs/dbraw/zinc/11/10/70/599111070.db2.gz AXNNBFQTVAKQAK-GFCCVEGCSA-N -1 3 393.367 0.305 20 0 GCADHM Cc1cc(C)n2nc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)nc2n1 ZINC000737255584 599111072 /nfs/dbraw/zinc/11/10/72/599111072.db2.gz AXNNBFQTVAKQAK-GFCCVEGCSA-N -1 3 393.367 0.305 20 0 GCADHM NC(=O)[C@H](OC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737610 599116942 /nfs/dbraw/zinc/11/69/42/599116942.db2.gz AVJQTGGSWCBZHX-GFCCVEGCSA-N -1 3 395.301 0.852 20 0 GCADHM NC(=O)[C@H](OC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737610 599116945 /nfs/dbraw/zinc/11/69/45/599116945.db2.gz AVJQTGGSWCBZHX-GFCCVEGCSA-N -1 3 395.301 0.852 20 0 GCADHM CC(C)CN1C[C@@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000735831433 599117587 /nfs/dbraw/zinc/11/75/87/599117587.db2.gz RNKLCMURVJVHCN-ZFWWWQNUSA-N -1 3 386.412 0.441 20 0 GCADHM CC(C)CN1C[C@@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735831433 599117589 /nfs/dbraw/zinc/11/75/89/599117589.db2.gz RNKLCMURVJVHCN-ZFWWWQNUSA-N -1 3 386.412 0.441 20 0 GCADHM C[S@](=O)CCN1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000737174645 599117774 /nfs/dbraw/zinc/11/77/74/599117774.db2.gz WUSDPUQBWZFMJP-SANMLTNESA-N -1 3 389.407 0.781 20 0 GCADHM C[S@](=O)CCN1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000737174645 599117777 /nfs/dbraw/zinc/11/77/77/599117777.db2.gz WUSDPUQBWZFMJP-SANMLTNESA-N -1 3 389.407 0.781 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737660 599118497 /nfs/dbraw/zinc/11/84/97/599118497.db2.gz CDGVXRSTEVUCNI-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737660 599118498 /nfs/dbraw/zinc/11/84/98/599118498.db2.gz CDGVXRSTEVUCNI-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)COc1ccc(C=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736354 599118541 /nfs/dbraw/zinc/11/85/41/599118541.db2.gz IICTVNMAOPHICA-INIZCTEOSA-N -1 3 381.348 0.828 20 0 GCADHM NC(=O)[C@@H](OC(=O)COc1ccc(C=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736354 599118544 /nfs/dbraw/zinc/11/85/44/599118544.db2.gz IICTVNMAOPHICA-INIZCTEOSA-N -1 3 381.348 0.828 20 0 GCADHM O=S(=O)(Cc1nnnn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823567349 599119935 /nfs/dbraw/zinc/11/99/35/599119935.db2.gz QXWZDHSGIMTJOJ-UHFFFAOYSA-N -1 3 386.372 0.955 20 0 GCADHM O=S(=O)(Cc1nnnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823567349 599119938 /nfs/dbraw/zinc/11/99/38/599119938.db2.gz QXWZDHSGIMTJOJ-UHFFFAOYSA-N -1 3 386.372 0.955 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737223 599121246 /nfs/dbraw/zinc/12/12/46/599121246.db2.gz PIJFZZGWACFGCT-HUUCEWRRSA-N -1 3 398.423 0.585 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737223 599121249 /nfs/dbraw/zinc/12/12/49/599121249.db2.gz PIJFZZGWACFGCT-HUUCEWRRSA-N -1 3 398.423 0.585 20 0 GCADHM COCCOc1ncccc1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737014481 599122834 /nfs/dbraw/zinc/12/28/34/599122834.db2.gz QINSXZNBDORVPK-CQSZACIVSA-N -1 3 398.379 0.670 20 0 GCADHM COCCOc1ncccc1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737014481 599122836 /nfs/dbraw/zinc/12/28/36/599122836.db2.gz QINSXZNBDORVPK-CQSZACIVSA-N -1 3 398.379 0.670 20 0 GCADHM COCCn1cc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000737017604 599123019 /nfs/dbraw/zinc/12/30/19/599123019.db2.gz XPZJUIDVDIXLPO-HNNXBMFYSA-N -1 3 398.379 0.058 20 0 GCADHM COCCn1cc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000737017604 599123022 /nfs/dbraw/zinc/12/30/22/599123022.db2.gz XPZJUIDVDIXLPO-HNNXBMFYSA-N -1 3 398.379 0.058 20 0 GCADHM O=C(Cc1ccc(NCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1)NCCO ZINC000737958032 599124667 /nfs/dbraw/zinc/12/46/67/599124667.db2.gz DQTNDBVBSNUZFV-UHFFFAOYSA-N -1 3 395.423 0.568 20 0 GCADHM O=C(Cc1ccc(NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1)NCCO ZINC000737958032 599124668 /nfs/dbraw/zinc/12/46/68/599124668.db2.gz DQTNDBVBSNUZFV-UHFFFAOYSA-N -1 3 395.423 0.568 20 0 GCADHM C[C@H](OC[C@@H]1CCCO1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736164903 599124944 /nfs/dbraw/zinc/12/49/44/599124944.db2.gz QVKNFZLLGAVORL-BPNCWPANSA-N -1 3 375.385 0.520 20 0 GCADHM C[C@H](OC[C@@H]1CCCO1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736164903 599124947 /nfs/dbraw/zinc/12/49/47/599124947.db2.gz QVKNFZLLGAVORL-BPNCWPANSA-N -1 3 375.385 0.520 20 0 GCADHM COc1cc(OC)c(N)c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737051986 599124982 /nfs/dbraw/zinc/12/49/82/599124982.db2.gz OLNLDOLJERFXCH-HNNXBMFYSA-N -1 3 398.379 0.850 20 0 GCADHM COc1cc(OC)c(N)c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737051986 599124984 /nfs/dbraw/zinc/12/49/84/599124984.db2.gz OLNLDOLJERFXCH-HNNXBMFYSA-N -1 3 398.379 0.850 20 0 GCADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCCNS(=O)(=O)c2cnn(C)c2)n1 ZINC000822427980 599125520 /nfs/dbraw/zinc/12/55/20/599125520.db2.gz XXQZNQGKHXNVNC-UHFFFAOYSA-N -1 3 395.474 0.078 20 0 GCADHM Cc1nc(C)c(-c2nn[n-]n2)c(SCCNS(=O)(=O)c2cnn(C)c2)n1 ZINC000822427980 599125521 /nfs/dbraw/zinc/12/55/21/599125521.db2.gz XXQZNQGKHXNVNC-UHFFFAOYSA-N -1 3 395.474 0.078 20 0 GCADHM Cc1ccn2ncc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737437385 599127645 /nfs/dbraw/zinc/12/76/45/599127645.db2.gz VJZYJLKVVDOBLL-CYBMUJFWSA-N -1 3 378.352 0.601 20 0 GCADHM Cc1ccn2ncc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737437385 599127649 /nfs/dbraw/zinc/12/76/49/599127649.db2.gz VJZYJLKVVDOBLL-CYBMUJFWSA-N -1 3 378.352 0.601 20 0 GCADHM NC(=O)[C@@H](OC(=O)C1(C(=O)NC2CC2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736626 599128066 /nfs/dbraw/zinc/12/80/66/599128066.db2.gz JXWJYRPKGBRYJN-ZDUSSCGKSA-N -1 3 384.396 0.385 20 0 GCADHM NC(=O)[C@@H](OC(=O)C1(C(=O)NC2CC2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736626 599128069 /nfs/dbraw/zinc/12/80/69/599128069.db2.gz JXWJYRPKGBRYJN-ZDUSSCGKSA-N -1 3 384.396 0.385 20 0 GCADHM NC(=O)[C@@H](OC(=O)CN1Cc2ccccc2C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738660 599128579 /nfs/dbraw/zinc/12/85/79/599128579.db2.gz WFYJKYYISFGFKA-INIZCTEOSA-N -1 3 392.375 0.592 20 0 GCADHM NC(=O)[C@@H](OC(=O)CN1Cc2ccccc2C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738660 599128582 /nfs/dbraw/zinc/12/85/82/599128582.db2.gz WFYJKYYISFGFKA-INIZCTEOSA-N -1 3 392.375 0.592 20 0 GCADHM CCOCCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736615041 599131187 /nfs/dbraw/zinc/13/11/87/599131187.db2.gz KBVYMCDXXULHQS-UHFFFAOYSA-N -1 3 380.474 0.600 20 0 GCADHM CCOCCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736615041 599131189 /nfs/dbraw/zinc/13/11/89/599131189.db2.gz KBVYMCDXXULHQS-UHFFFAOYSA-N -1 3 380.474 0.600 20 0 GCADHM O=C(/C=C\C1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822923007 599135629 /nfs/dbraw/zinc/13/56/29/599135629.db2.gz MKZKGPMUDJXFBQ-BAQGIRSFSA-N -1 3 388.453 0.666 20 0 GCADHM O=C(/C=C\C1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822923007 599135631 /nfs/dbraw/zinc/13/56/31/599135631.db2.gz MKZKGPMUDJXFBQ-BAQGIRSFSA-N -1 3 388.453 0.666 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1cn(Cc2ccccn2)nn1 ZINC000823202118 599142563 /nfs/dbraw/zinc/14/25/63/599142563.db2.gz PONZPINLFLAAGD-UHFFFAOYSA-N -1 3 391.399 0.138 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cn(Cc2ccccn2)nn1 ZINC000823202118 599142567 /nfs/dbraw/zinc/14/25/67/599142567.db2.gz PONZPINLFLAAGD-UHFFFAOYSA-N -1 3 391.399 0.138 20 0 GCADHM O=C([C@@H]1CCc2c[nH]nc2C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822917287 599145334 /nfs/dbraw/zinc/14/53/34/599145334.db2.gz RSFUOILTWJVWFS-GFCCVEGCSA-N -1 3 379.428 0.439 20 0 GCADHM O=C([C@H]1CCc2c[nH]nc2C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822917288 599145501 /nfs/dbraw/zinc/14/55/01/599145501.db2.gz RSFUOILTWJVWFS-LBPRGKRZSA-N -1 3 379.428 0.439 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(C)C[C@H](C)O ZINC000736988555 599146911 /nfs/dbraw/zinc/14/69/11/599146911.db2.gz VCBIWTKPEOHXIA-NSHDSACASA-N -1 3 379.465 0.573 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN(C)C[C@H](C)O ZINC000736988555 599146914 /nfs/dbraw/zinc/14/69/14/599146914.db2.gz VCBIWTKPEOHXIA-NSHDSACASA-N -1 3 379.465 0.573 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@H](CO)c1cccc(F)c1 ZINC000738076327 599148679 /nfs/dbraw/zinc/14/86/79/599148679.db2.gz XESCEUKCLSZICD-CQSZACIVSA-N -1 3 386.391 0.846 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@H](CO)c1cccc(F)c1 ZINC000738076327 599148682 /nfs/dbraw/zinc/14/86/82/599148682.db2.gz XESCEUKCLSZICD-CQSZACIVSA-N -1 3 386.391 0.846 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCOC[C@H]1CCCO1 ZINC000737058518 599149707 /nfs/dbraw/zinc/14/97/07/599149707.db2.gz MNTIEOUSKIVUCL-GFCCVEGCSA-N -1 3 390.400 0.126 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCOC[C@H]1CCCO1 ZINC000737058518 599149709 /nfs/dbraw/zinc/14/97/09/599149709.db2.gz MNTIEOUSKIVUCL-GFCCVEGCSA-N -1 3 390.400 0.126 20 0 GCADHM CCOC(=O)C[C@H](C)[S@](=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736595686 599155804 /nfs/dbraw/zinc/15/58/04/599155804.db2.gz WVTQWBOMPHPNRC-KPHLJTLVSA-N -1 3 379.442 0.573 20 0 GCADHM Cc1sc(=O)n(CCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1C ZINC000737562471 599154669 /nfs/dbraw/zinc/15/46/69/599154669.db2.gz NDFMXKKTWZBFST-UHFFFAOYSA-N -1 3 378.418 0.119 20 0 GCADHM Cc1sc(=O)n(CCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1C ZINC000737562471 599154671 /nfs/dbraw/zinc/15/46/71/599154671.db2.gz NDFMXKKTWZBFST-UHFFFAOYSA-N -1 3 378.418 0.119 20 0 GCADHM CCOC(=O)C[C@@H](C)[S@](=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736595697 599156185 /nfs/dbraw/zinc/15/61/85/599156185.db2.gz WVTQWBOMPHPNRC-RPHGYIDUSA-N -1 3 379.442 0.573 20 0 GCADHM NC(=O)CNC(=O)c1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737753802 599157088 /nfs/dbraw/zinc/15/70/88/599157088.db2.gz RNIQDGNMJDHMNU-JXMROGBWSA-N -1 3 392.375 0.701 20 0 GCADHM NC(=O)CNC(=O)c1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737753802 599157091 /nfs/dbraw/zinc/15/70/91/599157091.db2.gz RNIQDGNMJDHMNU-JXMROGBWSA-N -1 3 392.375 0.701 20 0 GCADHM O=c1onc(-c2ncccn2)n1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000738379714 599165585 /nfs/dbraw/zinc/16/55/85/599165585.db2.gz CCDGCWVFNSJOHF-UHFFFAOYSA-N -1 3 390.323 0.572 20 0 GCADHM O=c1onc(-c2ncccn2)n1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000738379714 599165588 /nfs/dbraw/zinc/16/55/88/599165588.db2.gz CCDGCWVFNSJOHF-UHFFFAOYSA-N -1 3 390.323 0.572 20 0 GCADHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822991849 599167173 /nfs/dbraw/zinc/16/71/73/599167173.db2.gz HEOIEPYEWZCGHW-STQMWFEESA-N -1 3 386.387 0.797 20 0 GCADHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822991849 599167177 /nfs/dbraw/zinc/16/71/77/599167177.db2.gz HEOIEPYEWZCGHW-STQMWFEESA-N -1 3 386.387 0.797 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822991847 599167311 /nfs/dbraw/zinc/16/73/11/599167311.db2.gz HEOIEPYEWZCGHW-CHWSQXEVSA-N -1 3 386.387 0.797 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822991847 599167314 /nfs/dbraw/zinc/16/73/14/599167314.db2.gz HEOIEPYEWZCGHW-CHWSQXEVSA-N -1 3 386.387 0.797 20 0 GCADHM O=C(CCn1nnc2ccccc2c1=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822986670 599174276 /nfs/dbraw/zinc/17/42/76/599174276.db2.gz KAVNBTIKHSMTJH-UHFFFAOYSA-N -1 3 394.370 0.817 20 0 GCADHM O=C(CCn1nnc2ccccc2c1=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822986670 599174277 /nfs/dbraw/zinc/17/42/77/599174277.db2.gz KAVNBTIKHSMTJH-UHFFFAOYSA-N -1 3 394.370 0.817 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821139420 599179209 /nfs/dbraw/zinc/17/92/09/599179209.db2.gz YGPLVETXKMFZDL-CQSZACIVSA-N -1 3 396.448 0.826 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821139420 599179212 /nfs/dbraw/zinc/17/92/12/599179212.db2.gz YGPLVETXKMFZDL-CQSZACIVSA-N -1 3 396.448 0.826 20 0 GCADHM Cn1c2ccccc2n(CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1=O ZINC000822596132 599180029 /nfs/dbraw/zinc/18/00/29/599180029.db2.gz HIOQKFITPKRFLY-UHFFFAOYSA-N -1 3 381.371 0.976 20 0 GCADHM Cn1c2ccccc2n(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1=O ZINC000822596132 599180032 /nfs/dbraw/zinc/18/00/32/599180032.db2.gz HIOQKFITPKRFLY-UHFFFAOYSA-N -1 3 381.371 0.976 20 0 GCADHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737500736 599183957 /nfs/dbraw/zinc/18/39/57/599183957.db2.gz PDKPVPHPIPLWHJ-INIZCTEOSA-N -1 3 392.423 0.889 20 0 GCADHM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737500736 599183959 /nfs/dbraw/zinc/18/39/59/599183959.db2.gz PDKPVPHPIPLWHJ-INIZCTEOSA-N -1 3 392.423 0.889 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@H]1CCN(C)C1=O ZINC000737033806 599185602 /nfs/dbraw/zinc/18/56/02/599185602.db2.gz UELLTIVQBGXGAB-ZDUSSCGKSA-N -1 3 375.385 0.808 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@H]1CCN(C)C1=O ZINC000737033806 599185604 /nfs/dbraw/zinc/18/56/04/599185604.db2.gz UELLTIVQBGXGAB-ZDUSSCGKSA-N -1 3 375.385 0.808 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCC[C@H]1O ZINC000823055365 599189499 /nfs/dbraw/zinc/18/94/99/599189499.db2.gz NBXVRWZJLLFGND-UONOGXRCSA-N -1 3 379.442 0.059 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000737055421 599190487 /nfs/dbraw/zinc/19/04/87/599190487.db2.gz FXSFLISAJXWNCO-GFCCVEGCSA-N -1 3 396.411 0.563 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)CCS(C)(=O)=O ZINC000820525576 599199227 /nfs/dbraw/zinc/19/92/27/599199227.db2.gz GGNBJIMJSYCVCK-NSHDSACASA-N -1 3 381.458 0.964 20 0 GCADHM COCCN(C(=O)C1CCS(=O)(=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989951 599202184 /nfs/dbraw/zinc/20/21/84/599202184.db2.gz XOYCODBFITYNLW-UHFFFAOYSA-N -1 3 379.442 0.671 20 0 GCADHM COCCN(C(=O)C1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989951 599202185 /nfs/dbraw/zinc/20/21/85/599202185.db2.gz XOYCODBFITYNLW-UHFFFAOYSA-N -1 3 379.442 0.671 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000821700568 599207668 /nfs/dbraw/zinc/20/76/68/599207668.db2.gz RXLTUYYTLKPJNK-RTXFEEFZSA-N -1 3 386.412 0.380 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000821700568 599207670 /nfs/dbraw/zinc/20/76/70/599207670.db2.gz RXLTUYYTLKPJNK-RTXFEEFZSA-N -1 3 386.412 0.380 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820655440 599208259 /nfs/dbraw/zinc/20/82/59/599208259.db2.gz BAJDNKWLRNOGCH-KOETXDSWSA-N -1 3 392.423 0.924 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820655440 599208262 /nfs/dbraw/zinc/20/82/62/599208262.db2.gz BAJDNKWLRNOGCH-KOETXDSWSA-N -1 3 392.423 0.924 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737165101 599208508 /nfs/dbraw/zinc/20/85/08/599208508.db2.gz FMJXUZIVIXRWEI-JTQLQIEISA-N -1 3 399.864 0.082 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737165101 599208511 /nfs/dbraw/zinc/20/85/11/599208511.db2.gz FMJXUZIVIXRWEI-JTQLQIEISA-N -1 3 399.864 0.082 20 0 GCADHM C[S@@](=O)CCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737173819 599212874 /nfs/dbraw/zinc/21/28/74/599212874.db2.gz QIRMKWQEZWVASC-AREMUKBSSA-N -1 3 378.458 0.798 20 0 GCADHM C[S@@](=O)CCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737173819 599212875 /nfs/dbraw/zinc/21/28/75/599212875.db2.gz QIRMKWQEZWVASC-AREMUKBSSA-N -1 3 378.458 0.798 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736303731 599213917 /nfs/dbraw/zinc/21/39/17/599213917.db2.gz MTKRWPYKXUWBNI-CYBMUJFWSA-N -1 3 376.442 0.673 20 0 GCADHM Cn1c2ccccc2n(CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000737592147 599214526 /nfs/dbraw/zinc/21/45/26/599214526.db2.gz YDPUCZPSMXCDON-UHFFFAOYSA-N -1 3 393.407 0.715 20 0 GCADHM CC[S@@](=O)CCNC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736664432 599214584 /nfs/dbraw/zinc/21/45/84/599214584.db2.gz KZXKJJXFIVPODK-HHHXNRCGSA-N -1 3 391.501 0.463 20 0 GCADHM CC[S@@](=O)CCNC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736664432 599214586 /nfs/dbraw/zinc/21/45/86/599214586.db2.gz KZXKJJXFIVPODK-HHHXNRCGSA-N -1 3 391.501 0.463 20 0 GCADHM Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822207322 599216228 /nfs/dbraw/zinc/21/62/28/599216228.db2.gz RRPZFOWKEYSVRO-CQSZACIVSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1cc(N2CCC[C@@H](NC(=O)c3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822207322 599216230 /nfs/dbraw/zinc/21/62/30/599216230.db2.gz RRPZFOWKEYSVRO-CQSZACIVSA-N -1 3 380.412 0.834 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737164874 599216871 /nfs/dbraw/zinc/21/68/71/599216871.db2.gz CPXAJDYZHZGPSW-SECBINFHSA-N -1 3 385.837 0.676 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737164874 599216874 /nfs/dbraw/zinc/21/68/74/599216874.db2.gz CPXAJDYZHZGPSW-SECBINFHSA-N -1 3 385.837 0.676 20 0 GCADHM NC(=O)COc1cccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737752622 599218160 /nfs/dbraw/zinc/21/81/60/599218160.db2.gz IPONUMBJKMMUIA-UHFFFAOYSA-N -1 3 382.380 0.540 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[S@@](=O)CC ZINC000736637598 599219205 /nfs/dbraw/zinc/21/92/05/599219205.db2.gz WMNNEJXKQDBAIP-SANMLTNESA-N -1 3 380.430 0.089 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[S@@](=O)CC ZINC000736637598 599219207 /nfs/dbraw/zinc/21/92/07/599219207.db2.gz WMNNEJXKQDBAIP-SANMLTNESA-N -1 3 380.430 0.089 20 0 GCADHM CC(C)N1C(=O)c2ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc2S1(=O)=O ZINC000738854552 596901944 /nfs/dbraw/zinc/90/19/44/596901944.db2.gz ZNWMQKBBJHEFFC-UHFFFAOYSA-N -1 3 397.453 0.328 20 0 GCADHM Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N(CCN(C)C)CC(=O)[O-])c(C)c12 ZINC000740257516 596902609 /nfs/dbraw/zinc/90/26/09/596902609.db2.gz VNJWUQYMDVSORA-UHFFFAOYSA-N -1 3 377.445 0.286 20 0 GCADHM COCCN1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C[C@H]1C ZINC000737004941 599229665 /nfs/dbraw/zinc/22/96/65/599229665.db2.gz PXKFHVSVIXXVBK-CYBMUJFWSA-N -1 3 390.444 0.433 20 0 GCADHM O=C(COC1CCOCC1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737915430 599229796 /nfs/dbraw/zinc/22/97/96/599229796.db2.gz HRIQFQUZFGJFRL-UHFFFAOYSA-N -1 3 386.456 0.707 20 0 GCADHM Cc1noc(CCC(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000822527930 607261391 /nfs/dbraw/zinc/26/13/91/607261391.db2.gz KZXYOJZNIZEEEO-CYBMUJFWSA-N -1 3 383.368 0.839 20 0 GCADHM Cc1noc(CCC(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822527930 607261392 /nfs/dbraw/zinc/26/13/92/607261392.db2.gz KZXYOJZNIZEEEO-CYBMUJFWSA-N -1 3 383.368 0.839 20 0 GCADHM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821662481 599232675 /nfs/dbraw/zinc/23/26/75/599232675.db2.gz FBYQHYCZHURXDP-UHFFFAOYSA-N -1 3 381.414 0.209 20 0 GCADHM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821662481 599232676 /nfs/dbraw/zinc/23/26/76/599232676.db2.gz FBYQHYCZHURXDP-UHFFFAOYSA-N -1 3 381.414 0.209 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000820293577 607263520 /nfs/dbraw/zinc/26/35/20/607263520.db2.gz MWWFGDVYOZFJOL-MRVPVSSYSA-N -1 3 384.849 0.953 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000820293577 607263521 /nfs/dbraw/zinc/26/35/21/607263521.db2.gz MWWFGDVYOZFJOL-MRVPVSSYSA-N -1 3 384.849 0.953 20 0 GCADHM CC(C)(C)N(CCS(C)(=O)=O)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000819914313 607265076 /nfs/dbraw/zinc/26/50/76/607265076.db2.gz PZOALRCWQQGCML-UHFFFAOYSA-N -1 3 380.474 0.950 20 0 GCADHM CC(C)(C)N(CCS(C)(=O)=O)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000819914313 607265077 /nfs/dbraw/zinc/26/50/77/607265077.db2.gz PZOALRCWQQGCML-UHFFFAOYSA-N -1 3 380.474 0.950 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000533188350 596983708 /nfs/dbraw/zinc/98/37/08/596983708.db2.gz LBFAGQRXYWVEFT-AWEZNQCLSA-N -1 3 391.424 0.286 20 0 GCADHM O=C(CNc1ccc2c(c1)C(=O)NCC2)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737897633 599234696 /nfs/dbraw/zinc/23/46/96/599234696.db2.gz CKTVUGRQQMQTKT-UHFFFAOYSA-N -1 3 377.408 0.881 20 0 GCADHM O=C(CNc1ccc2c(c1)C(=O)NCC2)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737897633 599234698 /nfs/dbraw/zinc/23/46/98/599234698.db2.gz CKTVUGRQQMQTKT-UHFFFAOYSA-N -1 3 377.408 0.881 20 0 GCADHM C[C@H](C(=O)N(CCN(C)C)CC(=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000237441570 597003598 /nfs/dbraw/zinc/00/35/98/597003598.db2.gz ZCTXJPWOPSYLCF-OAHLLOKOSA-N -1 3 380.464 0.811 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000737611829 599234922 /nfs/dbraw/zinc/23/49/22/599234922.db2.gz ILESQOHVJBZLOE-HNNXBMFYSA-N -1 3 394.439 0.845 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737611829 599234924 /nfs/dbraw/zinc/23/49/24/599234924.db2.gz ILESQOHVJBZLOE-HNNXBMFYSA-N -1 3 394.439 0.845 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)n1 ZINC000737613833 599234947 /nfs/dbraw/zinc/23/49/47/599234947.db2.gz RKFUFGXWJSWHKC-HVHJFMEUSA-N -1 3 392.423 0.925 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)n1 ZINC000737613833 599234948 /nfs/dbraw/zinc/23/49/48/599234948.db2.gz RKFUFGXWJSWHKC-HVHJFMEUSA-N -1 3 392.423 0.925 20 0 GCADHM COC(=O)CCN(C1CCOCC1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821661597 599236202 /nfs/dbraw/zinc/23/62/02/599236202.db2.gz PPDGLEWBPMXLBK-UHFFFAOYSA-N -1 3 395.441 0.600 20 0 GCADHM COC(=O)CCN(C1CCOCC1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821661597 599236203 /nfs/dbraw/zinc/23/62/03/599236203.db2.gz PPDGLEWBPMXLBK-UHFFFAOYSA-N -1 3 395.441 0.600 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2C[C@@H]3OCCN(C)[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822542580 607265836 /nfs/dbraw/zinc/26/58/36/607265836.db2.gz ZWIGKKOPGLMITN-DRZSPHRISA-N -1 3 375.433 0.418 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2C[C@@H]3OCCN(C)[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822542580 607265837 /nfs/dbraw/zinc/26/58/37/607265837.db2.gz ZWIGKKOPGLMITN-DRZSPHRISA-N -1 3 375.433 0.418 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000736623636 599236897 /nfs/dbraw/zinc/23/68/97/599236897.db2.gz KGSMDAUELMEBCH-AWEZNQCLSA-N -1 3 394.501 0.739 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000736623636 599236900 /nfs/dbraw/zinc/23/69/00/599236900.db2.gz KGSMDAUELMEBCH-AWEZNQCLSA-N -1 3 394.501 0.739 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000736617746 599244215 /nfs/dbraw/zinc/24/42/15/599244215.db2.gz GTUWSAFCCWXLKY-ZDUSSCGKSA-N -1 3 387.444 0.374 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000822689524 599242192 /nfs/dbraw/zinc/24/21/92/599242192.db2.gz KPUJIGLKIXTOFM-ZDUSSCGKSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822689524 599242194 /nfs/dbraw/zinc/24/21/94/599242194.db2.gz KPUJIGLKIXTOFM-ZDUSSCGKSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822680028 599242345 /nfs/dbraw/zinc/24/23/45/599242345.db2.gz LMZLKMYCXVNRTH-AWEZNQCLSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822680028 599242349 /nfs/dbraw/zinc/24/23/49/599242349.db2.gz LMZLKMYCXVNRTH-AWEZNQCLSA-N -1 3 381.400 0.917 20 0 GCADHM O=C(COC1CCOCC1)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737915023 599242549 /nfs/dbraw/zinc/24/25/49/599242549.db2.gz CJFSMJVUVNWBBH-OAHLLOKOSA-N -1 3 387.396 0.711 20 0 GCADHM O=C(COC1CCOCC1)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737915023 599242550 /nfs/dbraw/zinc/24/25/50/599242550.db2.gz CJFSMJVUVNWBBH-OAHLLOKOSA-N -1 3 387.396 0.711 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCOC[C@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC000822053036 607272325 /nfs/dbraw/zinc/27/23/25/607272325.db2.gz JMNULDFODGLVRW-CYBMUJFWSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCOC[C@H]2CCCO2)cccc1-c1nn[n-]n1 ZINC000822053036 607272326 /nfs/dbraw/zinc/27/23/26/607272326.db2.gz JMNULDFODGLVRW-CYBMUJFWSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)cccc1-c1nnn[n-]1 ZINC000822053182 607272385 /nfs/dbraw/zinc/27/23/85/607272385.db2.gz KIPCZKRWEGRFKR-GFCCVEGCSA-N -1 3 384.396 0.674 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)cccc1-c1nn[n-]n1 ZINC000822053182 607272386 /nfs/dbraw/zinc/27/23/86/607272386.db2.gz KIPCZKRWEGRFKR-GFCCVEGCSA-N -1 3 384.396 0.674 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822045789 607275438 /nfs/dbraw/zinc/27/54/38/607275438.db2.gz UJAWSEYLUJQPAF-OLZOCXBDSA-N -1 3 387.444 0.339 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822045789 607275439 /nfs/dbraw/zinc/27/54/39/607275439.db2.gz UJAWSEYLUJQPAF-OLZOCXBDSA-N -1 3 387.444 0.339 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821656067 607275844 /nfs/dbraw/zinc/27/58/44/607275844.db2.gz XBJHQFSGFYQUKA-UHFFFAOYSA-N -1 3 386.412 0.962 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821656067 607275845 /nfs/dbraw/zinc/27/58/45/607275845.db2.gz XBJHQFSGFYQUKA-UHFFFAOYSA-N -1 3 386.412 0.962 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H]2Cn2cncn2)cccc1-c1nnn[n-]1 ZINC000822043394 607275898 /nfs/dbraw/zinc/27/58/98/607275898.db2.gz DCJRERMLAJGAGN-GFCCVEGCSA-N -1 3 381.400 0.396 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H]2Cn2cncn2)cccc1-c1nn[n-]n1 ZINC000822043394 607275899 /nfs/dbraw/zinc/27/58/99/607275899.db2.gz DCJRERMLAJGAGN-GFCCVEGCSA-N -1 3 381.400 0.396 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC000737005156 599244658 /nfs/dbraw/zinc/24/46/58/599244658.db2.gz QICIGPWKDOBXPW-LLVKDONJSA-N -1 3 391.407 0.123 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC000737005156 599244661 /nfs/dbraw/zinc/24/46/61/599244661.db2.gz QICIGPWKDOBXPW-LLVKDONJSA-N -1 3 391.407 0.123 20 0 GCADHM CCCC1N=NC(=S)N1CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736500070 599245514 /nfs/dbraw/zinc/24/55/14/599245514.db2.gz KOUBEWZUVJGXQE-UHFFFAOYSA-N -1 3 388.457 0.895 20 0 GCADHM COc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821883367 607272830 /nfs/dbraw/zinc/27/28/30/607272830.db2.gz ULWCRYHUTBMIQG-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821883367 607272831 /nfs/dbraw/zinc/27/28/31/607272831.db2.gz ULWCRYHUTBMIQG-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C(=O)C(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000822043099 607272914 /nfs/dbraw/zinc/27/29/14/607272914.db2.gz BDHVPIJOFIKBHD-UHFFFAOYSA-N -1 3 385.428 0.440 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C(=O)C(C)C)CC2)cccc1-c1nn[n-]n1 ZINC000822043099 607272915 /nfs/dbraw/zinc/27/29/15/607272915.db2.gz BDHVPIJOFIKBHD-UHFFFAOYSA-N -1 3 385.428 0.440 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000819803182 607274043 /nfs/dbraw/zinc/27/40/43/607274043.db2.gz KTDFMSYXTQGJTH-ZDUSSCGKSA-N -1 3 385.428 0.488 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000819803182 607274044 /nfs/dbraw/zinc/27/40/44/607274044.db2.gz KTDFMSYXTQGJTH-ZDUSSCGKSA-N -1 3 385.428 0.488 20 0 GCADHM CN(C)C(=O)CN1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000821575660 607274364 /nfs/dbraw/zinc/27/43/64/607274364.db2.gz KQALPQYQJJDBNQ-UHFFFAOYSA-N -1 3 392.851 0.758 20 0 GCADHM CN(C)C(=O)CN1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821575660 607274365 /nfs/dbraw/zinc/27/43/65/607274365.db2.gz KQALPQYQJJDBNQ-UHFFFAOYSA-N -1 3 392.851 0.758 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCNC(=O)OC(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822054459 607274688 /nfs/dbraw/zinc/27/46/88/607274688.db2.gz ZSCNOVZXHVNARK-UHFFFAOYSA-N -1 3 389.416 0.755 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCNC(=O)OC(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822054459 607274689 /nfs/dbraw/zinc/27/46/89/607274689.db2.gz ZSCNOVZXHVNARK-UHFFFAOYSA-N -1 3 389.416 0.755 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821662493 607275165 /nfs/dbraw/zinc/27/51/65/607275165.db2.gz FJVVZZNQBFYHNK-UHFFFAOYSA-N -1 3 378.414 0.136 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821662493 607275166 /nfs/dbraw/zinc/27/51/66/607275166.db2.gz FJVVZZNQBFYHNK-UHFFFAOYSA-N -1 3 378.414 0.136 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(CC(F)F)CC2)cccc1-c1nnn[n-]1 ZINC000822042995 607275224 /nfs/dbraw/zinc/27/52/24/607275224.db2.gz AMSMQZXZTNUUGY-UHFFFAOYSA-N -1 3 379.371 0.523 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(CC(F)F)CC2)cccc1-c1nn[n-]n1 ZINC000822042995 607275225 /nfs/dbraw/zinc/27/52/25/607275225.db2.gz AMSMQZXZTNUUGY-UHFFFAOYSA-N -1 3 379.371 0.523 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)cccc1-c1nnn[n-]1 ZINC000822045943 607275275 /nfs/dbraw/zinc/27/52/75/607275275.db2.gz VSJSHSPUYJDEBT-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)cccc1-c1nn[n-]n1 ZINC000822045943 607275276 /nfs/dbraw/zinc/27/52/76/607275276.db2.gz VSJSHSPUYJDEBT-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM C[C@@H]1CN(c2ccc(C(=O)Nc3ccncc3-c3nnn[n-]3)cn2)C[C@H](C)O1 ZINC000736288511 599249880 /nfs/dbraw/zinc/24/98/80/599249880.db2.gz IBEYLQRYMQWFCQ-TXEJJXNPSA-N -1 3 380.412 0.945 20 0 GCADHM C[C@@H]1CN(c2ccc(C(=O)Nc3ccncc3-c3nn[n-]n3)cn2)C[C@H](C)O1 ZINC000736288511 599249882 /nfs/dbraw/zinc/24/98/82/599249882.db2.gz IBEYLQRYMQWFCQ-TXEJJXNPSA-N -1 3 380.412 0.945 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821508897 607278904 /nfs/dbraw/zinc/27/89/04/607278904.db2.gz CFTQADMFCUBSLS-CYBMUJFWSA-N -1 3 395.427 0.919 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821508897 607278905 /nfs/dbraw/zinc/27/89/05/607278905.db2.gz CFTQADMFCUBSLS-CYBMUJFWSA-N -1 3 395.427 0.919 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821864091 607279047 /nfs/dbraw/zinc/27/90/47/607279047.db2.gz SWXIYTSVBFQBCG-MRXNPFEDSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821864091 607279048 /nfs/dbraw/zinc/27/90/48/607279048.db2.gz SWXIYTSVBFQBCG-MRXNPFEDSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822044981 607279170 /nfs/dbraw/zinc/27/91/70/607279170.db2.gz NZTSGJGNZHSYAI-GLXFQSAKSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cccc1-c1nn[n-]n1 ZINC000822044981 607279171 /nfs/dbraw/zinc/27/91/71/607279171.db2.gz NZTSGJGNZHSYAI-GLXFQSAKSA-N -1 3 383.412 0.239 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821320949 607279421 /nfs/dbraw/zinc/27/94/21/607279421.db2.gz RDJMREGQVJTUNH-GFCCVEGCSA-N -1 3 386.412 0.915 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821320949 607279422 /nfs/dbraw/zinc/27/94/22/607279422.db2.gz RDJMREGQVJTUNH-GFCCVEGCSA-N -1 3 386.412 0.915 20 0 GCADHM CC(=O)[C@@H]1CC(C(=O)Nc2ccncc2-c2nnn[n-]2)=NN1c1ccccc1 ZINC000735458749 599251301 /nfs/dbraw/zinc/25/13/01/599251301.db2.gz POHWBELGUOYGMP-INIZCTEOSA-N -1 3 376.380 0.846 20 0 GCADHM CC(=O)[C@@H]1CC(C(=O)Nc2ccncc2-c2nn[n-]n2)=NN1c1ccccc1 ZINC000735458749 599251302 /nfs/dbraw/zinc/25/13/02/599251302.db2.gz POHWBELGUOYGMP-INIZCTEOSA-N -1 3 376.380 0.846 20 0 GCADHM COc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737101340 599251621 /nfs/dbraw/zinc/25/16/21/599251621.db2.gz DFKOZLQFVWASJZ-UHFFFAOYSA-N -1 3 388.409 0.824 20 0 GCADHM Cc1c(NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cccc1-c1nnn[n-]1 ZINC000822088886 607280735 /nfs/dbraw/zinc/28/07/35/607280735.db2.gz AXBVWOZNACTYAX-CQSZACIVSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1c(NC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cccc1-c1nn[n-]n1 ZINC000822088886 607280736 /nfs/dbraw/zinc/28/07/36/607280736.db2.gz AXBVWOZNACTYAX-CQSZACIVSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1c(NC(=O)N(C)CCN2CCCS2(=O)=O)cccc1-c1nnn[n-]1 ZINC000822077093 607282305 /nfs/dbraw/zinc/28/23/05/607282305.db2.gz SWPWZRVWSXGZSX-UHFFFAOYSA-N -1 3 379.446 0.674 20 0 GCADHM Cc1c(NC(=O)N(C)CCN2CCCS2(=O)=O)cccc1-c1nn[n-]n1 ZINC000822077093 607282306 /nfs/dbraw/zinc/28/23/06/607282306.db2.gz SWPWZRVWSXGZSX-UHFFFAOYSA-N -1 3 379.446 0.674 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000818022196 597325217 /nfs/dbraw/zinc/32/52/17/597325217.db2.gz FDGNNLABDSTYLR-DZGCQCFKSA-N -1 3 385.424 0.858 20 0 GCADHM CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000818207472 597345980 /nfs/dbraw/zinc/34/59/80/597345980.db2.gz HGNCTOGJXWFGST-AWEZNQCLSA-N -1 3 376.457 0.394 20 0 GCADHM CS(=O)(=O)c1ccc(OCCC(=O)Nc2ccncc2-c2nnn[n-]2)cc1 ZINC000737173050 599258117 /nfs/dbraw/zinc/25/81/17/599258117.db2.gz FGYOUYUKEJMPHI-UHFFFAOYSA-N -1 3 388.409 0.495 20 0 GCADHM CS(=O)(=O)c1ccc(OCCC(=O)Nc2ccncc2-c2nn[n-]n2)cc1 ZINC000737173050 599258120 /nfs/dbraw/zinc/25/81/20/599258120.db2.gz FGYOUYUKEJMPHI-UHFFFAOYSA-N -1 3 388.409 0.495 20 0 GCADHM Cc1c(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cccc1-c1nnn[n-]1 ZINC000822084885 607287296 /nfs/dbraw/zinc/28/72/96/607287296.db2.gz RKSVWEDGCFLSBZ-UHFFFAOYSA-N -1 3 398.471 0.947 20 0 GCADHM Cc1c(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cccc1-c1nn[n-]n1 ZINC000822084885 607287297 /nfs/dbraw/zinc/28/72/97/607287297.db2.gz RKSVWEDGCFLSBZ-UHFFFAOYSA-N -1 3 398.471 0.947 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736188957 599261577 /nfs/dbraw/zinc/26/15/77/599261577.db2.gz MYGXYFPNBHVSIG-ZDUSSCGKSA-N -1 3 380.412 0.773 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736188957 599261579 /nfs/dbraw/zinc/26/15/79/599261579.db2.gz MYGXYFPNBHVSIG-ZDUSSCGKSA-N -1 3 380.412 0.773 20 0 GCADHM O[C@H](CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)CN1CCOCC1 ZINC000823690388 607303166 /nfs/dbraw/zinc/30/31/66/607303166.db2.gz NYFWQSFZRBSOPK-SNVBAGLBSA-N -1 3 391.382 0.220 20 0 GCADHM O[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)CN1CCOCC1 ZINC000823690388 607303167 /nfs/dbraw/zinc/30/31/67/607303167.db2.gz NYFWQSFZRBSOPK-SNVBAGLBSA-N -1 3 391.382 0.220 20 0 GCADHM COC(=O)N1CC(NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000821663949 607302524 /nfs/dbraw/zinc/30/25/24/607302524.db2.gz VVWKYGIEOTYRSZ-UHFFFAOYSA-N -1 3 386.416 0.149 20 0 GCADHM COC(=O)N1CC(NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000821663949 607302525 /nfs/dbraw/zinc/30/25/25/607302525.db2.gz VVWKYGIEOTYRSZ-UHFFFAOYSA-N -1 3 386.416 0.149 20 0 GCADHM Cc1c(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)cccc1-c1nnn[n-]1 ZINC000822085257 607289868 /nfs/dbraw/zinc/28/98/68/607289868.db2.gz XMWXFWXWQXFABO-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM Cc1c(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)cccc1-c1nn[n-]n1 ZINC000822085257 607289869 /nfs/dbraw/zinc/28/98/69/607289869.db2.gz XMWXFWXWQXFABO-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM Cc1c(NC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cccc1-c1nnn[n-]1 ZINC000822096418 607291794 /nfs/dbraw/zinc/29/17/94/607291794.db2.gz MNVFMGROXNAGJH-BMLIUANNSA-N -1 3 384.400 0.675 20 0 GCADHM Cc1c(NC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cccc1-c1nn[n-]n1 ZINC000822096418 607291795 /nfs/dbraw/zinc/29/17/95/607291795.db2.gz MNVFMGROXNAGJH-BMLIUANNSA-N -1 3 384.400 0.675 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736167353 599258778 /nfs/dbraw/zinc/25/87/78/599258778.db2.gz FHXAJNQYEQPUSZ-IAQYHMDHSA-N -1 3 396.411 0.289 20 0 GCADHM Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822242800 607294251 /nfs/dbraw/zinc/29/42/51/607294251.db2.gz YBRKLUSTMWKBSH-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822242800 607294252 /nfs/dbraw/zinc/29/42/52/607294252.db2.gz YBRKLUSTMWKBSH-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM NC(=O)CCn1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737746654 599260396 /nfs/dbraw/zinc/26/03/96/599260396.db2.gz KBHCNHFFXQWNDO-CQSZACIVSA-N -1 3 395.427 0.546 20 0 GCADHM O=C(CCCC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000822955209 607299279 /nfs/dbraw/zinc/29/92/79/607299279.db2.gz MJKRDINEDHAARY-LLVKDONJSA-N -1 3 392.441 0.279 20 0 GCADHM O=C(CCCC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000822955209 607299280 /nfs/dbraw/zinc/29/92/80/607299280.db2.gz MJKRDINEDHAARY-LLVKDONJSA-N -1 3 392.441 0.279 20 0 GCADHM NS(=O)(=O)Cc1ccc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822895177 607299444 /nfs/dbraw/zinc/29/94/44/607299444.db2.gz MVZBSOWBTGWGKD-UHFFFAOYSA-N -1 3 393.816 0.956 20 0 GCADHM NS(=O)(=O)Cc1ccc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822895177 607299445 /nfs/dbraw/zinc/29/94/45/607299445.db2.gz MVZBSOWBTGWGKD-UHFFFAOYSA-N -1 3 393.816 0.956 20 0 GCADHM CCCN(CC(=O)NC)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821088891 607299539 /nfs/dbraw/zinc/29/95/39/607299539.db2.gz ZPLHXNIRRUCXCC-UHFFFAOYSA-N -1 3 387.444 0.960 20 0 GCADHM CCCN(CC(=O)NC)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821088891 607299540 /nfs/dbraw/zinc/29/95/40/607299540.db2.gz ZPLHXNIRRUCXCC-UHFFFAOYSA-N -1 3 387.444 0.960 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCN(CC(=O)N(C)C)CC1 ZINC000737409476 599260763 /nfs/dbraw/zinc/26/07/63/599260763.db2.gz OOKZJWKNOYHVRX-UHFFFAOYSA-N -1 3 380.456 0.934 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCN(CC(=O)N(C)C)CC1 ZINC000737409476 599260765 /nfs/dbraw/zinc/26/07/65/599260765.db2.gz OOKZJWKNOYHVRX-UHFFFAOYSA-N -1 3 380.456 0.934 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000735473873 599263984 /nfs/dbraw/zinc/26/39/84/599263984.db2.gz KJKCIRKZXBNJEH-HNNXBMFYSA-N -1 3 390.469 0.463 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000735473873 599263986 /nfs/dbraw/zinc/26/39/86/599263986.db2.gz KJKCIRKZXBNJEH-HNNXBMFYSA-N -1 3 390.469 0.463 20 0 GCADHM C[C@H]1Oc2ccc(NC[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2NC1=O ZINC000820821338 607308808 /nfs/dbraw/zinc/30/88/08/607308808.db2.gz SHTNWLZMSKXCAG-NXEZZACHSA-N -1 3 381.400 0.936 20 0 GCADHM C[C@H]1Oc2ccc(NC[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2NC1=O ZINC000820821338 607308809 /nfs/dbraw/zinc/30/88/09/607308809.db2.gz SHTNWLZMSKXCAG-NXEZZACHSA-N -1 3 381.400 0.936 20 0 GCADHM Cc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1-n1cnnn1 ZINC000822254759 607312838 /nfs/dbraw/zinc/31/28/38/607312838.db2.gz QPNVGAHKQWYBIR-LLVKDONJSA-N -1 3 378.404 0.501 20 0 GCADHM Cc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1-n1cnnn1 ZINC000822254759 607312839 /nfs/dbraw/zinc/31/28/39/607312839.db2.gz QPNVGAHKQWYBIR-LLVKDONJSA-N -1 3 378.404 0.501 20 0 GCADHM O=C(CN1CCN([C@H]2CCOC2)CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822997852 607312866 /nfs/dbraw/zinc/31/28/66/607312866.db2.gz WBFUASZAPFPQCS-ZDUSSCGKSA-N -1 3 391.863 0.865 20 0 GCADHM O=C(CN1CCN([C@H]2CCOC2)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822997852 607312867 /nfs/dbraw/zinc/31/28/67/607312867.db2.gz WBFUASZAPFPQCS-ZDUSSCGKSA-N -1 3 391.863 0.865 20 0 GCADHM O[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)CN1CCOCC1 ZINC000823690965 607303360 /nfs/dbraw/zinc/30/33/60/607303360.db2.gz ZATLKWSCSUFRGQ-LBPRGKRZSA-N -1 3 389.847 0.595 20 0 GCADHM O[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)CN1CCOCC1 ZINC000823690965 607303361 /nfs/dbraw/zinc/30/33/61/607303361.db2.gz ZATLKWSCSUFRGQ-LBPRGKRZSA-N -1 3 389.847 0.595 20 0 GCADHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819898332 607316714 /nfs/dbraw/zinc/31/67/14/607316714.db2.gz FGABCVJNCMGSFO-ZDUSSCGKSA-N -1 3 396.473 0.326 20 0 GCADHM CNC(=O)COc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821633906 607317248 /nfs/dbraw/zinc/31/72/48/607317248.db2.gz JIXXXXBYDVDPFF-NSHDSACASA-N -1 3 383.416 0.342 20 0 GCADHM CNC(=O)COc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821633906 607317249 /nfs/dbraw/zinc/31/72/49/607317249.db2.gz JIXXXXBYDVDPFF-NSHDSACASA-N -1 3 383.416 0.342 20 0 GCADHM COCCNS(=O)(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737005818 599268370 /nfs/dbraw/zinc/26/83/70/599268370.db2.gz FZPVXVGZTCWYBA-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM COCCNS(=O)(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737005818 599268372 /nfs/dbraw/zinc/26/83/72/599268372.db2.gz FZPVXVGZTCWYBA-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM CC(=O)NC[C@H]1CN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CCO1 ZINC000735473123 599269916 /nfs/dbraw/zinc/26/99/16/599269916.db2.gz FAFLCPKBHFAGPR-NSHDSACASA-N -1 3 379.446 0.094 20 0 GCADHM CC(=O)NC[C@H]1CN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CCO1 ZINC000735473123 599269918 /nfs/dbraw/zinc/26/99/18/599269918.db2.gz FAFLCPKBHFAGPR-NSHDSACASA-N -1 3 379.446 0.094 20 0 GCADHM COC[C@@H](C)S(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736967675 599271995 /nfs/dbraw/zinc/27/19/95/599271995.db2.gz CEDBEELPUNHUKN-CYBMUJFWSA-N -1 3 380.474 0.349 20 0 GCADHM COC[C@@H](C)S(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736967675 599271998 /nfs/dbraw/zinc/27/19/98/599271998.db2.gz CEDBEELPUNHUKN-CYBMUJFWSA-N -1 3 380.474 0.349 20 0 GCADHM COC[C@H](C)S(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736967676 599272506 /nfs/dbraw/zinc/27/25/06/599272506.db2.gz CEDBEELPUNHUKN-ZDUSSCGKSA-N -1 3 380.474 0.349 20 0 GCADHM COC[C@H](C)S(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736967676 599272508 /nfs/dbraw/zinc/27/25/08/599272508.db2.gz CEDBEELPUNHUKN-ZDUSSCGKSA-N -1 3 380.474 0.349 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000736886776 599273159 /nfs/dbraw/zinc/27/31/59/599273159.db2.gz KNSMPRZKTUZNKM-UHFFFAOYSA-N -1 3 390.404 0.585 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000736184694 599274428 /nfs/dbraw/zinc/27/44/28/599274428.db2.gz MIXLVVLJKNDKNS-GWCFXTLKSA-N -1 3 397.482 0.580 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000736184694 599274431 /nfs/dbraw/zinc/27/44/31/599274431.db2.gz MIXLVVLJKNDKNS-GWCFXTLKSA-N -1 3 397.482 0.580 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000735473171 599275053 /nfs/dbraw/zinc/27/50/53/599275053.db2.gz FUBBUULMMSSIOZ-CYBMUJFWSA-N -1 3 390.448 0.792 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000735473171 599275055 /nfs/dbraw/zinc/27/50/55/599275055.db2.gz FUBBUULMMSSIOZ-CYBMUJFWSA-N -1 3 390.448 0.792 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000735473172 599275463 /nfs/dbraw/zinc/27/54/63/599275463.db2.gz FUBBUULMMSSIOZ-ZDUSSCGKSA-N -1 3 390.448 0.792 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000735473172 599275466 /nfs/dbraw/zinc/27/54/66/599275466.db2.gz FUBBUULMMSSIOZ-ZDUSSCGKSA-N -1 3 390.448 0.792 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736184672 599275687 /nfs/dbraw/zinc/27/56/87/599275687.db2.gz MAZUJGNTVPGMQK-CHWSQXEVSA-N -1 3 384.400 0.153 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736184672 599275688 /nfs/dbraw/zinc/27/56/88/599275688.db2.gz MAZUJGNTVPGMQK-CHWSQXEVSA-N -1 3 384.400 0.153 20 0 GCADHM CCn1nnnc1-c1cccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821568014 607317777 /nfs/dbraw/zinc/31/77/77/607317777.db2.gz DHZFZMIDNXMMNJ-NSHDSACASA-N -1 3 392.431 0.890 20 0 GCADHM CCn1nnnc1-c1cccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821568014 607317778 /nfs/dbraw/zinc/31/77/78/607317778.db2.gz DHZFZMIDNXMMNJ-NSHDSACASA-N -1 3 392.431 0.890 20 0 GCADHM O=C(CNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)NCCO ZINC000823005465 607319712 /nfs/dbraw/zinc/31/97/12/607319712.db2.gz SFOWBQJJOXWETA-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM O=C(CNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)NCCO ZINC000823005465 607319713 /nfs/dbraw/zinc/31/97/13/607319713.db2.gz SFOWBQJJOXWETA-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM C[C@H]1CN=C(N2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)S1 ZINC000736291564 599278080 /nfs/dbraw/zinc/27/80/80/599278080.db2.gz FTGIZLAWZDSMLB-LBPRGKRZSA-N -1 3 387.469 0.881 20 0 GCADHM C[C@H]1CN=C(N2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)S1 ZINC000736291564 599278081 /nfs/dbraw/zinc/27/80/81/599278081.db2.gz FTGIZLAWZDSMLB-LBPRGKRZSA-N -1 3 387.469 0.881 20 0 GCADHM C[C@@H]1CN=C(N2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)S1 ZINC000736291563 599278247 /nfs/dbraw/zinc/27/82/47/599278247.db2.gz FTGIZLAWZDSMLB-GFCCVEGCSA-N -1 3 387.469 0.881 20 0 GCADHM C[C@@H]1CN=C(N2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)S1 ZINC000736291563 599278248 /nfs/dbraw/zinc/27/82/48/599278248.db2.gz FTGIZLAWZDSMLB-GFCCVEGCSA-N -1 3 387.469 0.881 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000735472901 599279128 /nfs/dbraw/zinc/27/91/28/599279128.db2.gz CDUPVNDSLIFQFD-ZDUSSCGKSA-N -1 3 377.380 0.052 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000735472901 599279130 /nfs/dbraw/zinc/27/91/30/599279130.db2.gz CDUPVNDSLIFQFD-ZDUSSCGKSA-N -1 3 377.380 0.052 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736812844 599280829 /nfs/dbraw/zinc/28/08/29/599280829.db2.gz HQWBBUYPEUWIGV-HNNXBMFYSA-N -1 3 395.427 0.547 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736812844 599280832 /nfs/dbraw/zinc/28/08/32/599280832.db2.gz HQWBBUYPEUWIGV-HNNXBMFYSA-N -1 3 395.427 0.547 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)nn1 ZINC000821663654 607320714 /nfs/dbraw/zinc/32/07/14/607320714.db2.gz IKBFNSIKQGFKLG-TVRMLOFPSA-N -1 3 383.368 0.949 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)nn1 ZINC000821663654 607320715 /nfs/dbraw/zinc/32/07/15/607320715.db2.gz IKBFNSIKQGFKLG-TVRMLOFPSA-N -1 3 383.368 0.949 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)C2=O)cn1 ZINC000737612444 599281497 /nfs/dbraw/zinc/28/14/97/599281497.db2.gz ZDYMWMJDIWPGHS-AWEZNQCLSA-N -1 3 399.390 0.344 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)C2=O)cn1 ZINC000737612444 599281500 /nfs/dbraw/zinc/28/15/00/599281500.db2.gz ZDYMWMJDIWPGHS-AWEZNQCLSA-N -1 3 399.390 0.344 20 0 GCADHM CNc1cc2c(nn1)CCN(C(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)C2 ZINC000736886798 599280554 /nfs/dbraw/zinc/28/05/54/599280554.db2.gz LLCOAUZRKCSGNX-UHFFFAOYSA-N -1 3 395.431 0.273 20 0 GCADHM CNc1cc2c(nn1)CCN(C(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)C2 ZINC000736886798 599280557 /nfs/dbraw/zinc/28/05/57/599280557.db2.gz LLCOAUZRKCSGNX-UHFFFAOYSA-N -1 3 395.431 0.273 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)nn1 ZINC000821663728 607320791 /nfs/dbraw/zinc/32/07/91/607320791.db2.gz LKBQAIVTIUAJJS-ZETCQYMHSA-N -1 3 393.310 0.827 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)nn1 ZINC000821663728 607320792 /nfs/dbraw/zinc/32/07/92/607320792.db2.gz LKBQAIVTIUAJJS-ZETCQYMHSA-N -1 3 393.310 0.827 20 0 GCADHM Cn1cccc(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1=O ZINC000822689188 599284816 /nfs/dbraw/zinc/28/48/16/599284816.db2.gz HQCUCLHWBIMODL-UHFFFAOYSA-N -1 3 381.400 0.315 20 0 GCADHM Cn1cccc(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1=O ZINC000822689188 599284819 /nfs/dbraw/zinc/28/48/19/599284819.db2.gz HQCUCLHWBIMODL-UHFFFAOYSA-N -1 3 381.400 0.315 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000737470946 599289905 /nfs/dbraw/zinc/28/99/05/599289905.db2.gz DWCOWTYHXFOEKH-ZBFHGGJFSA-N -1 3 397.443 0.291 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000737470946 599289907 /nfs/dbraw/zinc/28/99/07/599289907.db2.gz DWCOWTYHXFOEKH-ZBFHGGJFSA-N -1 3 397.443 0.291 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)COc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000821663491 607320910 /nfs/dbraw/zinc/32/09/10/607320910.db2.gz ADYVYYOQZRAZKC-JTQLQIEISA-N -1 3 387.356 0.314 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)COc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000821663491 607320911 /nfs/dbraw/zinc/32/09/11/607320911.db2.gz ADYVYYOQZRAZKC-JTQLQIEISA-N -1 3 387.356 0.314 20 0 GCADHM CN(C[C@@H]1CN(CCOc2cccc(-c3nnn[n-]3)c2)CCO1)c1cccnn1 ZINC000736791371 599292415 /nfs/dbraw/zinc/29/24/15/599292415.db2.gz MEKWSMOAVDJYAB-QGZVFWFLSA-N -1 3 396.455 0.873 20 0 GCADHM CN(C[C@@H]1CN(CCOc2cccc(-c3nn[n-]n3)c2)CCO1)c1cccnn1 ZINC000736791371 599292417 /nfs/dbraw/zinc/29/24/17/599292417.db2.gz MEKWSMOAVDJYAB-QGZVFWFLSA-N -1 3 396.455 0.873 20 0 GCADHM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000820294159 607323911 /nfs/dbraw/zinc/32/39/11/607323911.db2.gz RTTQZFHCAZLNRA-QMMMGPOBSA-N -1 3 379.377 0.535 20 0 GCADHM COc1ccc(CN(C)C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1O ZINC000821794225 607324273 /nfs/dbraw/zinc/32/42/73/607324273.db2.gz CBCBFWPJRGAAMP-UHFFFAOYSA-N -1 3 396.407 0.969 20 0 GCADHM COc1ccc(CN(C)C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1O ZINC000821794225 607324274 /nfs/dbraw/zinc/32/42/74/607324274.db2.gz CBCBFWPJRGAAMP-UHFFFAOYSA-N -1 3 396.407 0.969 20 0 GCADHM O=C(CN1CCO[C@@H](CNc2cccnn2)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737884817 599292530 /nfs/dbraw/zinc/29/25/30/599292530.db2.gz XAXQYGOAMRLGMB-HNNXBMFYSA-N -1 3 395.427 0.408 20 0 GCADHM O=C(CN1CCO[C@@H](CNc2cccnn2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737884817 599292533 /nfs/dbraw/zinc/29/25/33/599292533.db2.gz XAXQYGOAMRLGMB-HNNXBMFYSA-N -1 3 395.427 0.408 20 0 GCADHM CC(C)(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)N1CCOCC1 ZINC000819981431 607332137 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0 GCADHM O=S(=O)(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341057 598261317 /nfs/dbraw/zinc/26/13/17/598261317.db2.gz BBLVALKJAFNBIB-CQSZACIVSA-N -1 3 389.441 0.970 20 0 GCADHM O=S(=O)(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341055 598261440 /nfs/dbraw/zinc/26/14/40/598261440.db2.gz BBLVALKJAFNBIB-AWEZNQCLSA-N -1 3 389.441 0.970 20 0 GCADHM C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](C)O1 ZINC000736284747 598261703 /nfs/dbraw/zinc/26/17/03/598261703.db2.gz FFWFNUZRSCLWLM-VXGBXAGGSA-N -1 3 381.462 0.039 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1CCC[C@H]1CO ZINC000736987118 598262647 /nfs/dbraw/zinc/26/26/47/598262647.db2.gz DWJOMBGYSGDREV-AWEZNQCLSA-N -1 3 391.476 0.717 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736593999 598263584 /nfs/dbraw/zinc/26/35/84/598263584.db2.gz MDRCHZFYNJOMEQ-AWEZNQCLSA-N -1 3 394.457 0.571 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736593999 598263586 /nfs/dbraw/zinc/26/35/86/598263586.db2.gz MDRCHZFYNJOMEQ-AWEZNQCLSA-N -1 3 394.457 0.571 20 0 GCADHM CN(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000736762723 598267223 /nfs/dbraw/zinc/26/72/23/598267223.db2.gz XCNIVSFIISPKMW-HNNXBMFYSA-N -1 3 391.432 0.982 20 0 GCADHM CN(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000736762723 598267225 /nfs/dbraw/zinc/26/72/25/598267225.db2.gz XCNIVSFIISPKMW-HNNXBMFYSA-N -1 3 391.432 0.982 20 0 GCADHM O=S(=O)(C[C@@H]1CCCCO1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738317825 598267482 /nfs/dbraw/zinc/26/74/82/598267482.db2.gz NCBGNQMLBGLMKV-AWEZNQCLSA-N -1 3 393.473 0.283 20 0 GCADHM O=S(=O)(C[C@@H]1CCCCO1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738317825 598267483 /nfs/dbraw/zinc/26/74/83/598267483.db2.gz NCBGNQMLBGLMKV-AWEZNQCLSA-N -1 3 393.473 0.283 20 0 GCADHM C[C@H]([C@H](C)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCOCC1 ZINC000736117811 598268325 /nfs/dbraw/zinc/26/83/25/598268325.db2.gz LDELNGNDCOONSW-QWHCGFSZSA-N -1 3 389.464 0.082 20 0 GCADHM C[C@H]([C@H](C)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCOCC1 ZINC000736117811 598268327 /nfs/dbraw/zinc/26/83/27/598268327.db2.gz LDELNGNDCOONSW-QWHCGFSZSA-N -1 3 389.464 0.082 20 0 GCADHM CN(C)C(=O)CCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736747068 598268829 /nfs/dbraw/zinc/26/88/29/598268829.db2.gz MWSGHGHSKYLHIA-UHFFFAOYSA-N -1 3 387.444 0.898 20 0 GCADHM CN(C)C(=O)CCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736747068 598268831 /nfs/dbraw/zinc/26/88/31/598268831.db2.gz MWSGHGHSKYLHIA-UHFFFAOYSA-N -1 3 387.444 0.898 20 0 GCADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000737242002 598271488 /nfs/dbraw/zinc/27/14/88/598271488.db2.gz TZVJFIVXPDZARC-MNOVXSKESA-N -1 3 396.498 0.662 20 0 GCADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)n1 ZINC000737242002 598271491 /nfs/dbraw/zinc/27/14/91/598271491.db2.gz TZVJFIVXPDZARC-MNOVXSKESA-N -1 3 396.498 0.662 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000738354690 598271612 /nfs/dbraw/zinc/27/16/12/598271612.db2.gz JSBOJLKIZWXCBG-CYBMUJFWSA-N -1 3 393.473 0.137 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000738354690 598271613 /nfs/dbraw/zinc/27/16/13/598271613.db2.gz JSBOJLKIZWXCBG-CYBMUJFWSA-N -1 3 393.473 0.137 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000737221504 598271748 /nfs/dbraw/zinc/27/17/48/598271748.db2.gz LHBBFSRKTPNNMK-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000737221504 598271750 /nfs/dbraw/zinc/27/17/50/598271750.db2.gz LHBBFSRKTPNNMK-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM COCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737015352 598271833 /nfs/dbraw/zinc/27/18/33/598271833.db2.gz WSYMMNHSUAGAGY-UHFFFAOYSA-N -1 3 394.457 0.493 20 0 GCADHM COCCS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737015352 598271835 /nfs/dbraw/zinc/27/18/35/598271835.db2.gz WSYMMNHSUAGAGY-UHFFFAOYSA-N -1 3 394.457 0.493 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000737221201 598272197 /nfs/dbraw/zinc/27/21/97/598272197.db2.gz HBYPZTIGILOLQR-UHFFFAOYSA-N -1 3 395.422 0.590 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000737221201 598272199 /nfs/dbraw/zinc/27/21/99/598272199.db2.gz HBYPZTIGILOLQR-UHFFFAOYSA-N -1 3 395.422 0.590 20 0 GCADHM O=S(=O)(N1CCCCC1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738329028 598272534 /nfs/dbraw/zinc/27/25/34/598272534.db2.gz LZFKYPKMEDCCRM-UHFFFAOYSA-N -1 3 377.474 0.719 20 0 GCADHM O=S(=O)(N1CCCCC1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738329028 598272536 /nfs/dbraw/zinc/27/25/36/598272536.db2.gz LZFKYPKMEDCCRM-UHFFFAOYSA-N -1 3 377.474 0.719 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738320177 598272743 /nfs/dbraw/zinc/27/27/43/598272743.db2.gz VNCYTVDKHLIQBR-CYBMUJFWSA-N -1 3 378.458 0.498 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738320177 598272745 /nfs/dbraw/zinc/27/27/45/598272745.db2.gz VNCYTVDKHLIQBR-CYBMUJFWSA-N -1 3 378.458 0.498 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000736395937 598281235 /nfs/dbraw/zinc/28/12/35/598281235.db2.gz KMXHUMBGGAZJOR-MRXNPFEDSA-N -1 3 375.364 0.689 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000736395937 598281237 /nfs/dbraw/zinc/28/12/37/598281237.db2.gz KMXHUMBGGAZJOR-MRXNPFEDSA-N -1 3 375.364 0.689 20 0 GCADHM Cn1cc(NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1=O ZINC000737610358 598281865 /nfs/dbraw/zinc/28/18/65/598281865.db2.gz NTAFGPMTPMQRFF-UHFFFAOYSA-N -1 3 380.412 0.920 20 0 GCADHM Cn1cc(NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1=O ZINC000737610358 598281867 /nfs/dbraw/zinc/28/18/67/598281867.db2.gz NTAFGPMTPMQRFF-UHFFFAOYSA-N -1 3 380.412 0.920 20 0 GCADHM CN(C1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1)S(C)(=O)=O ZINC000736779439 598282374 /nfs/dbraw/zinc/28/23/74/598282374.db2.gz NOPQQROBOQHIRL-UHFFFAOYSA-N -1 3 393.473 0.432 20 0 GCADHM CN(C1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1)S(C)(=O)=O ZINC000736779439 598282376 /nfs/dbraw/zinc/28/23/76/598282376.db2.gz NOPQQROBOQHIRL-UHFFFAOYSA-N -1 3 393.473 0.432 20 0 GCADHM C[C@@H](Cn1ccnc1)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736076923 598283467 /nfs/dbraw/zinc/28/34/67/598283467.db2.gz DUPIGBRPSGVNOV-AWEZNQCLSA-N -1 3 381.444 0.984 20 0 GCADHM COCCOCCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737011226 598283954 /nfs/dbraw/zinc/28/39/54/598283954.db2.gz OXIOMDOPODRYAG-UHFFFAOYSA-N -1 3 375.433 0.361 20 0 GCADHM COCCOCCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737011226 598283955 /nfs/dbraw/zinc/28/39/55/598283955.db2.gz OXIOMDOPODRYAG-UHFFFAOYSA-N -1 3 375.433 0.361 20 0 GCADHM Cc1noc(CCNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737533837 598285526 /nfs/dbraw/zinc/28/55/26/598285526.db2.gz FWLZAHSDWDSYAX-UHFFFAOYSA-N -1 3 384.404 0.027 20 0 GCADHM Cc1noc(CCNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737533837 598285528 /nfs/dbraw/zinc/28/55/28/598285528.db2.gz FWLZAHSDWDSYAX-UHFFFAOYSA-N -1 3 384.404 0.027 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)CO ZINC000820152032 607347469 /nfs/dbraw/zinc/34/74/69/607347469.db2.gz RLLFDCQDMPFOMQ-UHFFFAOYSA-N -1 3 376.417 0.727 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)CO ZINC000820152032 607347470 /nfs/dbraw/zinc/34/74/70/607347470.db2.gz RLLFDCQDMPFOMQ-UHFFFAOYSA-N -1 3 376.417 0.727 20 0 GCADHM NC(=O)CNC(=O)c1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737752462 598287430 /nfs/dbraw/zinc/28/74/30/598287430.db2.gz GURAKIKNTQZAGM-UHFFFAOYSA-N -1 3 394.395 0.132 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737901529 598288175 /nfs/dbraw/zinc/28/81/75/598288175.db2.gz XKBQDHNBYPVUOK-UHFFFAOYSA-N -1 3 376.398 0.469 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CC1)Nc1sccc1-c1nn[n-]n1 ZINC000737901529 598288177 /nfs/dbraw/zinc/28/81/77/598288177.db2.gz XKBQDHNBYPVUOK-UHFFFAOYSA-N -1 3 376.398 0.469 20 0 GCADHM COC(=O)NC(C)(C)C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000736934407 598288897 /nfs/dbraw/zinc/28/88/97/598288897.db2.gz AYIRZJZHPNMVFC-UHFFFAOYSA-N -1 3 380.361 0.693 20 0 GCADHM Cn1nnc2cc(C(=O)OCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000737626634 598289063 /nfs/dbraw/zinc/28/90/63/598289063.db2.gz HXUOOQBWKHGFRN-UHFFFAOYSA-N -1 3 378.352 0.944 20 0 GCADHM Cn1nnc2cc(C(=O)OCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000737626634 598289065 /nfs/dbraw/zinc/28/90/65/598289065.db2.gz HXUOOQBWKHGFRN-UHFFFAOYSA-N -1 3 378.352 0.944 20 0 GCADHM C[C@@H](CN1CCCC1=O)NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736001041 598291763 /nfs/dbraw/zinc/29/17/63/598291763.db2.gz LOWLYHFCCBCXHJ-AWEZNQCLSA-N -1 3 398.471 0.709 20 0 GCADHM C[C@@H](CN1CCCC1=O)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736001041 598291764 /nfs/dbraw/zinc/29/17/64/598291764.db2.gz LOWLYHFCCBCXHJ-AWEZNQCLSA-N -1 3 398.471 0.709 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000737769649 598293449 /nfs/dbraw/zinc/29/34/49/598293449.db2.gz AUOFUNGKVMQESH-UHFFFAOYSA-N -1 3 396.411 0.625 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000737769649 598293450 /nfs/dbraw/zinc/29/34/50/598293450.db2.gz AUOFUNGKVMQESH-UHFFFAOYSA-N -1 3 396.411 0.625 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000735587583 598293874 /nfs/dbraw/zinc/29/38/74/598293874.db2.gz WDRWSYHVOXUJLE-LLVKDONJSA-N -1 3 390.448 0.473 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000735587583 598293876 /nfs/dbraw/zinc/29/38/76/598293876.db2.gz WDRWSYHVOXUJLE-LLVKDONJSA-N -1 3 390.448 0.473 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000737773892 598294016 /nfs/dbraw/zinc/29/40/16/598294016.db2.gz MVSBKBZXZPSMQB-UHFFFAOYSA-N -1 3 382.384 0.851 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000737773892 598294017 /nfs/dbraw/zinc/29/40/17/598294017.db2.gz MVSBKBZXZPSMQB-UHFFFAOYSA-N -1 3 382.384 0.851 20 0 GCADHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CCn2ccccc2=O)C1=O ZINC000736224672 598294105 /nfs/dbraw/zinc/29/41/05/598294105.db2.gz URHRTEFYGIZDNW-SFHVURJKSA-N -1 3 379.380 0.496 20 0 GCADHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CCn2ccccc2=O)C1=O ZINC000736224672 598294106 /nfs/dbraw/zinc/29/41/06/598294106.db2.gz URHRTEFYGIZDNW-SFHVURJKSA-N -1 3 379.380 0.496 20 0 GCADHM C[C@@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)NC(=O)C1CCCCC1 ZINC000735974966 598294132 /nfs/dbraw/zinc/29/41/32/598294132.db2.gz DZTVKQQIJYIHKB-NSHDSACASA-N -1 3 390.448 0.664 20 0 GCADHM C[C@@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)NC(=O)C1CCCCC1 ZINC000735974966 598294134 /nfs/dbraw/zinc/29/41/34/598294134.db2.gz DZTVKQQIJYIHKB-NSHDSACASA-N -1 3 390.448 0.664 20 0 GCADHM CC(C)Cn1ncc2cc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)cnc21 ZINC000735851357 598294173 /nfs/dbraw/zinc/29/41/73/598294173.db2.gz RDDBPTIPPDXYGB-UHFFFAOYSA-N -1 3 396.415 0.903 20 0 GCADHM CC(C)Cn1ncc2cc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)cnc21 ZINC000735851357 598294175 /nfs/dbraw/zinc/29/41/75/598294175.db2.gz RDDBPTIPPDXYGB-UHFFFAOYSA-N -1 3 396.415 0.903 20 0 GCADHM CCOCCOc1ccccc1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736625763 598294459 /nfs/dbraw/zinc/29/44/59/598294459.db2.gz LTLBVFHEZOGYRZ-UHFFFAOYSA-N -1 3 387.400 0.918 20 0 GCADHM CCOCCOc1ccccc1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736625763 598294461 /nfs/dbraw/zinc/29/44/61/598294461.db2.gz LTLBVFHEZOGYRZ-UHFFFAOYSA-N -1 3 387.400 0.918 20 0 GCADHM C[C@H](NC(=O)CC1CCCCC1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736103659 598294502 /nfs/dbraw/zinc/29/45/02/598294502.db2.gz XPXIKHHQFIETIF-NSHDSACASA-N -1 3 390.448 0.664 20 0 GCADHM C[C@H](NC(=O)CC1CCCCC1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736103659 598294503 /nfs/dbraw/zinc/29/45/03/598294503.db2.gz XPXIKHHQFIETIF-NSHDSACASA-N -1 3 390.448 0.664 20 0 GCADHM Cc1ccc(CCC(=O)NCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737337912 598294712 /nfs/dbraw/zinc/29/47/12/598294712.db2.gz LLOFUZUQBTUXRD-UHFFFAOYSA-N -1 3 398.427 0.246 20 0 GCADHM Cc1ccc(CCC(=O)NCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737337912 598294714 /nfs/dbraw/zinc/29/47/14/598294714.db2.gz LLOFUZUQBTUXRD-UHFFFAOYSA-N -1 3 398.427 0.246 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cn1ccc(=O)c2ccccc21 ZINC000737770522 598294724 /nfs/dbraw/zinc/29/47/24/598294724.db2.gz KICZLTNRNDPZTK-UHFFFAOYSA-N -1 3 380.368 0.204 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cn1ccc(=O)c2ccccc21 ZINC000737770522 598294726 /nfs/dbraw/zinc/29/47/26/598294726.db2.gz KICZLTNRNDPZTK-UHFFFAOYSA-N -1 3 380.368 0.204 20 0 GCADHM CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000735857740 598300330 /nfs/dbraw/zinc/30/03/30/598300330.db2.gz YFCDGZGNLSBDMW-LBPRGKRZSA-N -1 3 396.498 0.797 20 0 GCADHM CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000735857740 598300332 /nfs/dbraw/zinc/30/03/32/598300332.db2.gz YFCDGZGNLSBDMW-LBPRGKRZSA-N -1 3 396.498 0.797 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736323907 598300336 /nfs/dbraw/zinc/30/03/36/598300336.db2.gz FSAXNGOXBOWWEX-PWSUYJOCSA-N -1 3 396.498 0.845 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736323907 598300337 /nfs/dbraw/zinc/30/03/37/598300337.db2.gz FSAXNGOXBOWWEX-PWSUYJOCSA-N -1 3 396.498 0.845 20 0 GCADHM O=C(CCCS(=O)(=O)N1CCCC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737835030 598300935 /nfs/dbraw/zinc/30/09/35/598300935.db2.gz CETKZPYVSMUROK-UHFFFAOYSA-N -1 3 396.448 0.828 20 0 GCADHM O=C(CCCS(=O)(=O)N1CCCC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737835030 598300937 /nfs/dbraw/zinc/30/09/37/598300937.db2.gz CETKZPYVSMUROK-UHFFFAOYSA-N -1 3 396.448 0.828 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738343622 598301315 /nfs/dbraw/zinc/30/13/15/598301315.db2.gz SMYHNUHRJNWPDU-GHMZBOCLSA-N -1 3 398.876 0.662 20 0 GCADHM Cc1noc([C@H](C)NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737534954 598304109 /nfs/dbraw/zinc/30/41/09/598304109.db2.gz SQRXNKRRSZVRLE-JTQLQIEISA-N -1 3 384.404 0.546 20 0 GCADHM Cc1noc([C@H](C)NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737534954 598304111 /nfs/dbraw/zinc/30/41/11/598304111.db2.gz SQRXNKRRSZVRLE-JTQLQIEISA-N -1 3 384.404 0.546 20 0 GCADHM O=C(Nc1cccnc1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738195212 598306247 /nfs/dbraw/zinc/30/62/47/598306247.db2.gz JJXQGLXUAPNKLE-UHFFFAOYSA-N -1 3 396.386 0.688 20 0 GCADHM CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736414129 598307401 /nfs/dbraw/zinc/30/74/01/598307401.db2.gz VPYKRHOETWBOHN-ZDUSSCGKSA-N -1 3 399.455 0.960 20 0 GCADHM CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736414129 598307402 /nfs/dbraw/zinc/30/74/02/598307402.db2.gz VPYKRHOETWBOHN-ZDUSSCGKSA-N -1 3 399.455 0.960 20 0 GCADHM NS(=O)(=O)Cc1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737764562 598308009 /nfs/dbraw/zinc/30/80/09/598308009.db2.gz JJMDBTQACVPOFJ-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM NS(=O)(=O)Cc1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737764562 598308010 /nfs/dbraw/zinc/30/80/10/598308010.db2.gz JJMDBTQACVPOFJ-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737549510 598309130 /nfs/dbraw/zinc/30/91/30/598309130.db2.gz WDNIUVXBHLWAJQ-UHFFFAOYSA-N -1 3 394.388 0.793 20 0 GCADHM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737549510 598309132 /nfs/dbraw/zinc/30/91/32/598309132.db2.gz WDNIUVXBHLWAJQ-UHFFFAOYSA-N -1 3 394.388 0.793 20 0 GCADHM CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733346 598311007 /nfs/dbraw/zinc/31/10/07/598311007.db2.gz NHXLBXHCKTUVIN-UHFFFAOYSA-N -1 3 387.375 0.833 20 0 GCADHM CN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733346 598311008 /nfs/dbraw/zinc/31/10/08/598311008.db2.gz NHXLBXHCKTUVIN-UHFFFAOYSA-N -1 3 387.375 0.833 20 0 GCADHM NC(=O)N1CCCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737758099 598312860 /nfs/dbraw/zinc/31/28/60/598312860.db2.gz FCDQNWISXNXHHI-UHFFFAOYSA-N -1 3 378.824 0.545 20 0 GCADHM NC(=O)N1CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737758099 598312863 /nfs/dbraw/zinc/31/28/63/598312863.db2.gz FCDQNWISXNXHHI-UHFFFAOYSA-N -1 3 378.824 0.545 20 0 GCADHM CCS(=O)(=O)NCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736663573 598319851 /nfs/dbraw/zinc/31/98/51/598319851.db2.gz HJFOLCWDPFJSAM-UHFFFAOYSA-N -1 3 389.894 0.746 20 0 GCADHM CCS(=O)(=O)NCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736663573 598319852 /nfs/dbraw/zinc/31/98/52/598319852.db2.gz HJFOLCWDPFJSAM-UHFFFAOYSA-N -1 3 389.894 0.746 20 0 GCADHM CN(C)C(=O)CCCCS(=O)(=O)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736745485 598322085 /nfs/dbraw/zinc/32/20/85/598322085.db2.gz HZAPEHKSRVFRDJ-UHFFFAOYSA-N -1 3 394.457 0.479 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1nc(-c2ccoc2)no1 ZINC000737892013 598322883 /nfs/dbraw/zinc/32/28/83/598322883.db2.gz QRMABESSBDPHKK-UHFFFAOYSA-N -1 3 395.335 0.983 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1nc(-c2ccoc2)no1 ZINC000737892013 598322884 /nfs/dbraw/zinc/32/28/84/598322884.db2.gz QRMABESSBDPHKK-UHFFFAOYSA-N -1 3 395.335 0.983 20 0 GCADHM CCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000736504560 598328833 /nfs/dbraw/zinc/32/88/33/598328833.db2.gz BRGLVUAKCFFRFD-GFCCVEGCSA-N -1 3 382.421 0.724 20 0 GCADHM CCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000736504560 598328835 /nfs/dbraw/zinc/32/88/35/598328835.db2.gz BRGLVUAKCFFRFD-GFCCVEGCSA-N -1 3 382.421 0.724 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NCC(=O)N1CCc2ccccc2C1 ZINC000737924816 598329036 /nfs/dbraw/zinc/32/90/36/598329036.db2.gz IXXIMMVTFUKEDK-UHFFFAOYSA-N -1 3 392.419 0.947 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NCC(=O)N1CCc2ccccc2C1 ZINC000737924816 598329038 /nfs/dbraw/zinc/32/90/38/598329038.db2.gz IXXIMMVTFUKEDK-UHFFFAOYSA-N -1 3 392.419 0.947 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCC(=O)N1CCc2ccccc2C1 ZINC000737919094 598329317 /nfs/dbraw/zinc/32/93/17/598329317.db2.gz JXBXKAJWFVLBRM-UHFFFAOYSA-N -1 3 392.419 0.947 20 0 GCADHM Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737321156 598330451 /nfs/dbraw/zinc/33/04/51/598330451.db2.gz ZCCKQAHQNGXLAK-UHFFFAOYSA-N -1 3 397.370 0.668 20 0 GCADHM Cc1ccc(C(N)=O)cc1NC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737321156 598330453 /nfs/dbraw/zinc/33/04/53/598330453.db2.gz ZCCKQAHQNGXLAK-UHFFFAOYSA-N -1 3 397.370 0.668 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000737062196 598332045 /nfs/dbraw/zinc/33/20/45/598332045.db2.gz JCEQFRKHRZJYBI-UHFFFAOYSA-N -1 3 388.409 0.916 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000737062196 598332047 /nfs/dbraw/zinc/33/20/47/598332047.db2.gz JCEQFRKHRZJYBI-UHFFFAOYSA-N -1 3 388.409 0.916 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)[C@H](C)CO1 ZINC000736284627 598334719 /nfs/dbraw/zinc/33/47/19/598334719.db2.gz BXUUTTRJHPGQDQ-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)[C@H](C)CO1 ZINC000736284627 598334722 /nfs/dbraw/zinc/33/47/22/598334722.db2.gz BXUUTTRJHPGQDQ-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM CCOc1ccnc(N2CCN(c3nnc(C)c(C)c3-c3nnn[n-]3)CC2)n1 ZINC000736654368 598336078 /nfs/dbraw/zinc/33/60/78/598336078.db2.gz BWKKAFRQSBNQAL-UHFFFAOYSA-N -1 3 382.432 0.789 20 0 GCADHM CCOc1ccnc(N2CCN(c3nnc(C)c(C)c3-c3nn[n-]n3)CC2)n1 ZINC000736654368 598336080 /nfs/dbraw/zinc/33/60/80/598336080.db2.gz BWKKAFRQSBNQAL-UHFFFAOYSA-N -1 3 382.432 0.789 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(CC(=O)Nc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000736773848 598340516 /nfs/dbraw/zinc/34/05/16/598340516.db2.gz QAIVQMHTVJOWCP-UHFFFAOYSA-N -1 3 379.428 0.720 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(CC(=O)Nc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000736773848 598340517 /nfs/dbraw/zinc/34/05/17/598340517.db2.gz QAIVQMHTVJOWCP-UHFFFAOYSA-N -1 3 379.428 0.720 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cncn2)C1 ZINC000735563256 598352455 /nfs/dbraw/zinc/35/24/55/598352455.db2.gz SBEOIQUNIMNIPH-WFASDCNBSA-N -1 3 383.416 0.186 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cncn2)C1 ZINC000735563256 598352457 /nfs/dbraw/zinc/35/24/57/598352457.db2.gz SBEOIQUNIMNIPH-WFASDCNBSA-N -1 3 383.416 0.186 20 0 GCADHM O=C(CCNc1cccc(F)c1-c1nnn[n-]1)N1CCN(c2ncccn2)CC1 ZINC000737848360 598353802 /nfs/dbraw/zinc/35/38/02/598353802.db2.gz RSIIKGKLHGFGFB-UHFFFAOYSA-N -1 3 397.418 0.947 20 0 GCADHM O=C(CCNc1cccc(F)c1-c1nn[n-]n1)N1CCN(c2ncccn2)CC1 ZINC000737848360 598353804 /nfs/dbraw/zinc/35/38/04/598353804.db2.gz RSIIKGKLHGFGFB-UHFFFAOYSA-N -1 3 397.418 0.947 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000736935738 598357621 /nfs/dbraw/zinc/35/76/21/598357621.db2.gz LFJVDRRWLFLBKS-GFCCVEGCSA-N -1 3 389.420 0.204 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000736935738 598357624 /nfs/dbraw/zinc/35/76/24/598357624.db2.gz LFJVDRRWLFLBKS-GFCCVEGCSA-N -1 3 389.420 0.204 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NCCCNC(=O)c1cccc(O)c1 ZINC000737930911 598358318 /nfs/dbraw/zinc/35/83/18/598358318.db2.gz PAEWNVQGRVRAGA-UHFFFAOYSA-N -1 3 396.407 0.887 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NCCCNC(=O)c1cccc(O)c1 ZINC000737930911 598358320 /nfs/dbraw/zinc/35/83/20/598358320.db2.gz PAEWNVQGRVRAGA-UHFFFAOYSA-N -1 3 396.407 0.887 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737614873 598362012 /nfs/dbraw/zinc/36/20/12/598362012.db2.gz BSMKZBNQRWYQEQ-UHFFFAOYSA-N -1 3 382.428 0.323 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737614873 598362014 /nfs/dbraw/zinc/36/20/14/598362014.db2.gz BSMKZBNQRWYQEQ-UHFFFAOYSA-N -1 3 382.428 0.323 20 0 GCADHM CNC(=O)C1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)CCC1 ZINC000736871305 598362128 /nfs/dbraw/zinc/36/21/28/598362128.db2.gz NZRFIIULKOSIEY-UHFFFAOYSA-N -1 3 387.419 0.571 20 0 GCADHM O=C(NCCCN1C(=O)CCC1=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738066525 598362434 /nfs/dbraw/zinc/36/24/34/598362434.db2.gz PMLTZUQCWGWAGJ-HNNXBMFYSA-N -1 3 397.439 0.491 20 0 GCADHM COc1cc2c(nn1)CCN([C@H]1CCN(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000737056649 598364343 /nfs/dbraw/zinc/36/43/43/598364343.db2.gz XWKIQUWKDGLCJE-INIZCTEOSA-N -1 3 392.423 0.829 20 0 GCADHM COc1cc2c(nn1)CCN([C@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000737056649 598364344 /nfs/dbraw/zinc/36/43/44/598364344.db2.gz XWKIQUWKDGLCJE-INIZCTEOSA-N -1 3 392.423 0.829 20 0 GCADHM Cc1oc(NC(=O)CN2CCc3nnc(N(C)C)cc3C2)c(-c2nnn[n-]2)c1C ZINC000737552377 598365117 /nfs/dbraw/zinc/36/51/17/598365117.db2.gz OCJLMDWBHNJPEH-UHFFFAOYSA-N -1 3 397.443 0.929 20 0 GCADHM O=C(CN1CCC(Nc2cccnn2)CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737878037 598365477 /nfs/dbraw/zinc/36/54/77/598365477.db2.gz YIMAGTGAEXWVBK-UHFFFAOYSA-N -1 3 393.455 0.849 20 0 GCADHM O=C1[C@H](N2CCC[C@H](n3cncn3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738291091 598368480 /nfs/dbraw/zinc/36/84/80/598368480.db2.gz SBFOGNYFPMPNOG-JKSUJKDBSA-N -1 3 379.428 0.901 20 0 GCADHM O=C1[C@H](N2CCO[C@@H](Cn3cccn3)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738290195 598368858 /nfs/dbraw/zinc/36/88/58/598368858.db2.gz NSIQQPCUGBCYKU-IAGOWNOFSA-N -1 3 394.439 0.570 20 0 GCADHM O=C1[C@H](N2CCO[C@@H](Cn3cccn3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738290195 598368860 /nfs/dbraw/zinc/36/88/60/598368860.db2.gz NSIQQPCUGBCYKU-IAGOWNOFSA-N -1 3 394.439 0.570 20 0 GCADHM Cn1cc(CCCNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000737601697 598369903 /nfs/dbraw/zinc/36/99/03/598369903.db2.gz CDQGYLYXUWZMLH-UHFFFAOYSA-N -1 3 396.459 0.460 20 0 GCADHM Cn1cc(CCCNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000737601697 598369905 /nfs/dbraw/zinc/36/99/05/598369905.db2.gz CDQGYLYXUWZMLH-UHFFFAOYSA-N -1 3 396.459 0.460 20 0 GCADHM CC(=O)NC(C)(C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735474348 598370080 /nfs/dbraw/zinc/37/00/80/598370080.db2.gz JETBXWNBMVKBOY-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM CC(=O)NC(C)(C)C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735474348 598370081 /nfs/dbraw/zinc/37/00/81/598370081.db2.gz JETBXWNBMVKBOY-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM O=C(CCN1CCCNC(=O)C1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000738303270 598370126 /nfs/dbraw/zinc/37/01/26/598370126.db2.gz PARCEVZKTSCENF-UHFFFAOYSA-N -1 3 375.458 0.567 20 0 GCADHM O=C(CCN1CCCNC(=O)C1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000738303270 598370128 /nfs/dbraw/zinc/37/01/28/598370128.db2.gz PARCEVZKTSCENF-UHFFFAOYSA-N -1 3 375.458 0.567 20 0 GCADHM CNC(=O)C1(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC1 ZINC000736869792 598371239 /nfs/dbraw/zinc/37/12/39/598371239.db2.gz FTKWIZUAWYSONC-CYBMUJFWSA-N -1 3 384.396 0.432 20 0 GCADHM CNC(=O)C1(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC1 ZINC000736869792 598371241 /nfs/dbraw/zinc/37/12/41/598371241.db2.gz FTKWIZUAWYSONC-CYBMUJFWSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(Cc1ccc(O)cc1)NCC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737959803 598371962 /nfs/dbraw/zinc/37/19/62/598371962.db2.gz POFRASAZSFCLCX-UHFFFAOYSA-N -1 3 397.391 0.853 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1c2ccccc2C[C@H]1O ZINC000738077538 598372994 /nfs/dbraw/zinc/37/29/94/598372994.db2.gz FGZYWSUDWJVDQL-ZBFHGGJFSA-N -1 3 380.412 0.631 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1c2ccccc2C[C@H]1O ZINC000738077538 598372996 /nfs/dbraw/zinc/37/29/96/598372996.db2.gz FGZYWSUDWJVDQL-ZBFHGGJFSA-N -1 3 380.412 0.631 20 0 GCADHM CC(C)NC(=O)NCCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000735887535 598373743 /nfs/dbraw/zinc/37/37/43/598373743.db2.gz BKZOJGDUWANQMC-UHFFFAOYSA-N -1 3 376.440 0.835 20 0 GCADHM CC(C)NC(=O)NCCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000735887535 598373745 /nfs/dbraw/zinc/37/37/45/598373745.db2.gz BKZOJGDUWANQMC-UHFFFAOYSA-N -1 3 376.440 0.835 20 0 GCADHM Cn1cc(CN2CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)CC2)cn1 ZINC000737602085 598374192 /nfs/dbraw/zinc/37/41/92/598374192.db2.gz MZIHBDFDCTXFPP-UHFFFAOYSA-N -1 3 399.434 0.767 20 0 GCADHM Cn1cc(CN2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)CC2)cn1 ZINC000737602085 598374193 /nfs/dbraw/zinc/37/41/93/598374193.db2.gz MZIHBDFDCTXFPP-UHFFFAOYSA-N -1 3 399.434 0.767 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CCN(CCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738257040 598374308 /nfs/dbraw/zinc/37/43/08/598374308.db2.gz CYENBNRVKVLPOM-UHFFFAOYSA-N -1 3 395.423 0.804 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736783469 598375636 /nfs/dbraw/zinc/37/56/36/598375636.db2.gz UNULKKRRMCJACU-UHFFFAOYSA-N -1 3 390.448 0.746 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736783469 598375638 /nfs/dbraw/zinc/37/56/38/598375638.db2.gz UNULKKRRMCJACU-UHFFFAOYSA-N -1 3 390.448 0.746 20 0 GCADHM O[C@H](Cn1cccn1)CN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000738384098 598376151 /nfs/dbraw/zinc/37/61/51/598376151.db2.gz ZQDPWFVNJYRUBG-ZDUSSCGKSA-N -1 3 385.432 0.112 20 0 GCADHM O[C@H](Cn1cccn1)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738384098 598376153 /nfs/dbraw/zinc/37/61/53/598376153.db2.gz ZQDPWFVNJYRUBG-ZDUSSCGKSA-N -1 3 385.432 0.112 20 0 GCADHM O[C@@H](Cn1cccn1)CN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000738384095 598376177 /nfs/dbraw/zinc/37/61/77/598376177.db2.gz ZQDPWFVNJYRUBG-CYBMUJFWSA-N -1 3 385.432 0.112 20 0 GCADHM O[C@@H](Cn1cccn1)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738384095 598376178 /nfs/dbraw/zinc/37/61/78/598376178.db2.gz ZQDPWFVNJYRUBG-CYBMUJFWSA-N -1 3 385.432 0.112 20 0 GCADHM O=S(=O)(C[C@H]1CCOC1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738317433 598383442 /nfs/dbraw/zinc/38/34/42/598383442.db2.gz KIIXUMFOLSJYPU-HNNXBMFYSA-N -1 3 392.485 0.351 20 0 GCADHM O=S(=O)(C[C@H]1CCOC1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738317433 598383443 /nfs/dbraw/zinc/38/34/43/598383443.db2.gz KIIXUMFOLSJYPU-HNNXBMFYSA-N -1 3 392.485 0.351 20 0 GCADHM CN(C(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736731738 598384206 /nfs/dbraw/zinc/38/42/06/598384206.db2.gz GMTDUJIPQGDRBE-CQSZACIVSA-N -1 3 387.469 0.801 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000737792620 598384889 /nfs/dbraw/zinc/38/48/89/598384889.db2.gz PWIIPPKSDTYKCP-AWEZNQCLSA-N -1 3 387.469 0.803 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCc1cn2c(n1)CCCC2 ZINC000738078529 598397582 /nfs/dbraw/zinc/39/75/82/598397582.db2.gz RLYFJLMVDPMOSI-UHFFFAOYSA-N -1 3 382.432 0.706 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCc1cn2c(n1)CCCC2 ZINC000738078529 598397584 /nfs/dbraw/zinc/39/75/84/598397584.db2.gz RLYFJLMVDPMOSI-UHFFFAOYSA-N -1 3 382.432 0.706 20 0 GCADHM NC(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737758660 598398500 /nfs/dbraw/zinc/39/85/00/598398500.db2.gz BJLPYIBQTONWIZ-UHFFFAOYSA-N -1 3 379.380 0.012 20 0 GCADHM NC(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737758660 598398502 /nfs/dbraw/zinc/39/85/02/598398502.db2.gz BJLPYIBQTONWIZ-UHFFFAOYSA-N -1 3 379.380 0.012 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccc2c(c1)OCO2 ZINC000737889085 598399265 /nfs/dbraw/zinc/39/92/65/598399265.db2.gz JDCMXAIJHUFAEJ-UHFFFAOYSA-N -1 3 380.364 0.642 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccc2c(c1)OCO2 ZINC000737889085 598399266 /nfs/dbraw/zinc/39/92/66/598399266.db2.gz JDCMXAIJHUFAEJ-UHFFFAOYSA-N -1 3 380.364 0.642 20 0 GCADHM CNC(=O)Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736879627 598399667 /nfs/dbraw/zinc/39/96/67/598399667.db2.gz XBNRSJFDSMNZQB-UHFFFAOYSA-N -1 3 393.407 0.524 20 0 GCADHM CNC(=O)Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736879627 598399669 /nfs/dbraw/zinc/39/96/69/598399669.db2.gz XBNRSJFDSMNZQB-UHFFFAOYSA-N -1 3 393.407 0.524 20 0 GCADHM CNC(=O)c1cccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736882553 598401388 /nfs/dbraw/zinc/40/13/88/598401388.db2.gz QSRDKLLRFQHVSK-UHFFFAOYSA-N -1 3 393.407 0.273 20 0 GCADHM CNC(=O)c1cccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736882553 598401390 /nfs/dbraw/zinc/40/13/90/598401390.db2.gz QSRDKLLRFQHVSK-UHFFFAOYSA-N -1 3 393.407 0.273 20 0 GCADHM Cc1cc(C(N)=O)ccc1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737244215 598401706 /nfs/dbraw/zinc/40/17/06/598401706.db2.gz DGOMVNVEZYBMMT-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM Cc1cc(C(N)=O)ccc1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737244215 598401707 /nfs/dbraw/zinc/40/17/07/598401707.db2.gz DGOMVNVEZYBMMT-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM Cn1ncc2c1CCC[C@@H]2NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737626400 598402152 /nfs/dbraw/zinc/40/21/52/598402152.db2.gz BQPOAECIEYOBOV-AWEZNQCLSA-N -1 3 380.412 0.524 20 0 GCADHM Cn1ncc2c1CCC[C@@H]2NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737626400 598402153 /nfs/dbraw/zinc/40/21/53/598402153.db2.gz BQPOAECIEYOBOV-AWEZNQCLSA-N -1 3 380.412 0.524 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC(=O)NCc1ccccc1 ZINC000737888933 598403307 /nfs/dbraw/zinc/40/33/07/598403307.db2.gz IHNXFXLLYFGPAJ-UHFFFAOYSA-N -1 3 393.407 0.029 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC(=O)NCc1ccccc1 ZINC000737888933 598403308 /nfs/dbraw/zinc/40/33/08/598403308.db2.gz IHNXFXLLYFGPAJ-UHFFFAOYSA-N -1 3 393.407 0.029 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1O ZINC000737092556 598403454 /nfs/dbraw/zinc/40/34/54/598403454.db2.gz MUAQAAWCYYSOKI-UHFFFAOYSA-N -1 3 382.380 0.627 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1O ZINC000737092556 598403456 /nfs/dbraw/zinc/40/34/56/598403456.db2.gz MUAQAAWCYYSOKI-UHFFFAOYSA-N -1 3 382.380 0.627 20 0 GCADHM C[C@@H](O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736150129 598403851 /nfs/dbraw/zinc/40/38/51/598403851.db2.gz WMHLMRGFZYVGNB-GFCCVEGCSA-N -1 3 380.408 0.966 20 0 GCADHM C[C@@H](O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736150129 598403852 /nfs/dbraw/zinc/40/38/52/598403852.db2.gz WMHLMRGFZYVGNB-GFCCVEGCSA-N -1 3 380.408 0.966 20 0 GCADHM Cc1ccn2cc(CNC(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC000737436594 598405063 /nfs/dbraw/zinc/40/50/63/598405063.db2.gz PACXFZUVEOPOIT-UHFFFAOYSA-N -1 3 390.407 0.869 20 0 GCADHM Cc1ccn2cc(CNC(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC000737436594 598405065 /nfs/dbraw/zinc/40/50/65/598405065.db2.gz PACXFZUVEOPOIT-UHFFFAOYSA-N -1 3 390.407 0.869 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCC(=O)N1CCCCCC1 ZINC000737889815 598406983 /nfs/dbraw/zinc/40/69/83/598406983.db2.gz QKQUQTWIPCIWBP-UHFFFAOYSA-N -1 3 399.455 0.505 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCC(=O)N1CCCCCC1 ZINC000737889815 598406984 /nfs/dbraw/zinc/40/69/84/598406984.db2.gz QKQUQTWIPCIWBP-UHFFFAOYSA-N -1 3 399.455 0.505 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000738037669 598407408 /nfs/dbraw/zinc/40/74/08/598407408.db2.gz GOHDXIVHOFGVEK-UHFFFAOYSA-N -1 3 380.412 0.726 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000738037669 598407410 /nfs/dbraw/zinc/40/74/10/598407410.db2.gz GOHDXIVHOFGVEK-UHFFFAOYSA-N -1 3 380.412 0.726 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735467646 598409263 /nfs/dbraw/zinc/40/92/63/598409263.db2.gz SQMCCMVETAPAAX-GFCCVEGCSA-N -1 3 376.398 0.270 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735467646 598409264 /nfs/dbraw/zinc/40/92/64/598409264.db2.gz SQMCCMVETAPAAX-GFCCVEGCSA-N -1 3 376.398 0.270 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCN(c2ccccc2)C1 ZINC000737889358 598409380 /nfs/dbraw/zinc/40/93/80/598409380.db2.gz MDVZSFMPWFQHSV-INIZCTEOSA-N -1 3 391.435 0.992 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCN(c2ccccc2)C1 ZINC000737889358 598409382 /nfs/dbraw/zinc/40/93/82/598409382.db2.gz MDVZSFMPWFQHSV-INIZCTEOSA-N -1 3 391.435 0.992 20 0 GCADHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737487758 598409426 /nfs/dbraw/zinc/40/94/26/598409426.db2.gz MHQNGGAEQWAFGS-UHFFFAOYSA-N -1 3 392.423 0.917 20 0 GCADHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737487758 598409429 /nfs/dbraw/zinc/40/94/29/598409429.db2.gz MHQNGGAEQWAFGS-UHFFFAOYSA-N -1 3 392.423 0.917 20 0 GCADHM CC(C)Cc1noc(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735851555 598410319 /nfs/dbraw/zinc/41/03/19/598410319.db2.gz ZMRSYFNSEOSHTP-UHFFFAOYSA-N -1 3 385.384 0.921 20 0 GCADHM CC(C)Cc1noc(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735851555 598410320 /nfs/dbraw/zinc/41/03/20/598410320.db2.gz ZMRSYFNSEOSHTP-UHFFFAOYSA-N -1 3 385.384 0.921 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCCC1 ZINC000736154774 598410542 /nfs/dbraw/zinc/41/05/42/598410542.db2.gz CAHJXXZARJGFQR-LLVKDONJSA-N -1 3 386.412 0.587 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCCC1 ZINC000736154774 598410544 /nfs/dbraw/zinc/41/05/44/598410544.db2.gz CAHJXXZARJGFQR-LLVKDONJSA-N -1 3 386.412 0.587 20 0 GCADHM COC(=O)C1CCC(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736911884 598410776 /nfs/dbraw/zinc/41/07/76/598410776.db2.gz YDAFPBBNGVDJNH-UHFFFAOYSA-N -1 3 386.412 0.445 20 0 GCADHM COC(=O)C1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736911884 598410778 /nfs/dbraw/zinc/41/07/78/598410778.db2.gz YDAFPBBNGVDJNH-UHFFFAOYSA-N -1 3 386.412 0.445 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000738102062 598413425 /nfs/dbraw/zinc/41/34/25/598413425.db2.gz POKWFPVGPADJLV-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000738102062 598413426 /nfs/dbraw/zinc/41/34/26/598413426.db2.gz POKWFPVGPADJLV-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737767185 598420133 /nfs/dbraw/zinc/42/01/33/598420133.db2.gz ZHMNZGBFGQNLHJ-UHFFFAOYSA-N -1 3 386.437 0.514 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737767185 598420135 /nfs/dbraw/zinc/42/01/35/598420135.db2.gz ZHMNZGBFGQNLHJ-UHFFFAOYSA-N -1 3 386.437 0.514 20 0 GCADHM NC(=O)COc1ccc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737752471 598420280 /nfs/dbraw/zinc/42/02/80/598420280.db2.gz GXOAFTMGDXTXSA-UHFFFAOYSA-N -1 3 383.364 0.967 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000736912095 598420560 /nfs/dbraw/zinc/42/05/60/598420560.db2.gz YLSNMIGCOIBISV-GFCCVEGCSA-N -1 3 375.385 0.666 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000736912095 598420561 /nfs/dbraw/zinc/42/05/61/598420561.db2.gz YLSNMIGCOIBISV-GFCCVEGCSA-N -1 3 375.385 0.666 20 0 GCADHM O=C(NCCS(=O)(=O)N1CCSCC1)c1sccc1-c1nnn[n-]1 ZINC000738086157 598423995 /nfs/dbraw/zinc/42/39/95/598423995.db2.gz UHNLHTPYFSVABY-UHFFFAOYSA-N -1 3 388.500 0.037 20 0 GCADHM O=C(NCCS(=O)(=O)N1CCSCC1)c1sccc1-c1nn[n-]n1 ZINC000738086157 598423997 /nfs/dbraw/zinc/42/39/97/598423997.db2.gz UHNLHTPYFSVABY-UHFFFAOYSA-N -1 3 388.500 0.037 20 0 GCADHM O=C(CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cccnc1 ZINC000737888824 598424002 /nfs/dbraw/zinc/42/40/02/598424002.db2.gz GLWJNSXXRZCPJB-UHFFFAOYSA-N -1 3 394.395 0.137 20 0 GCADHM O=C(CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cccnc1 ZINC000737888824 598424004 /nfs/dbraw/zinc/42/40/04/598424004.db2.gz GLWJNSXXRZCPJB-UHFFFAOYSA-N -1 3 394.395 0.137 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737490084 598425130 /nfs/dbraw/zinc/42/51/30/598425130.db2.gz QCJNYXSYIWXPPC-SECBINFHSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737490084 598425132 /nfs/dbraw/zinc/42/51/32/598425132.db2.gz QCJNYXSYIWXPPC-SECBINFHSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H](C(N)=O)C(C)C)c(-c2nnn[n-]2)c(C)c1C ZINC000737482638 598425184 /nfs/dbraw/zinc/42/51/84/598425184.db2.gz KDOZHOMPQQDFJK-CYBMUJFWSA-N -1 3 377.474 0.905 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H](C(N)=O)C(C)C)c(-c2nn[n-]n2)c(C)c1C ZINC000737482638 598425185 /nfs/dbraw/zinc/42/51/85/598425185.db2.gz KDOZHOMPQQDFJK-CYBMUJFWSA-N -1 3 377.474 0.905 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCCN2CCCC2=O)cc1 ZINC000737776664 598433291 /nfs/dbraw/zinc/43/32/91/598433291.db2.gz ONBZGPMIVHQCQU-UHFFFAOYSA-N -1 3 395.427 0.377 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCCN2CCCC2=O)cc1 ZINC000737776664 598433293 /nfs/dbraw/zinc/43/32/93/598433293.db2.gz ONBZGPMIVHQCQU-UHFFFAOYSA-N -1 3 395.427 0.377 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)c1nncn1C ZINC000736118932 598433720 /nfs/dbraw/zinc/43/37/20/598433720.db2.gz LNACLNZKSZQBIP-SECBINFHSA-N -1 3 379.388 0.254 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)c1nncn1C ZINC000736118932 598433722 /nfs/dbraw/zinc/43/37/22/598433722.db2.gz LNACLNZKSZQBIP-SECBINFHSA-N -1 3 379.388 0.254 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)Cn1cccn1 ZINC000736019484 598433799 /nfs/dbraw/zinc/43/37/99/598433799.db2.gz GMCMMXDWKPEJBF-GFCCVEGCSA-N -1 3 392.427 0.897 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)Cn1cccn1 ZINC000736019484 598433801 /nfs/dbraw/zinc/43/38/01/598433801.db2.gz GMCMMXDWKPEJBF-GFCCVEGCSA-N -1 3 392.427 0.897 20 0 GCADHM C[C@H](CN1CCOCC1)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736010926 598433994 /nfs/dbraw/zinc/43/39/94/598433994.db2.gz XHQHGYSYWNFCDL-GFCCVEGCSA-N -1 3 397.443 0.085 20 0 GCADHM C[C@H](CN1CCOCC1)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736010926 598433996 /nfs/dbraw/zinc/43/39/96/598433996.db2.gz XHQHGYSYWNFCDL-GFCCVEGCSA-N -1 3 397.443 0.085 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCc2nnc3n2CCC3)cc1 ZINC000737777989 598434150 /nfs/dbraw/zinc/43/41/50/598434150.db2.gz VFUQNRLUDJSYKO-UHFFFAOYSA-N -1 3 391.399 0.102 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCc2nnc3n2CCC3)cc1 ZINC000737777989 598434151 /nfs/dbraw/zinc/43/41/51/598434151.db2.gz VFUQNRLUDJSYKO-UHFFFAOYSA-N -1 3 391.399 0.102 20 0 GCADHM CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736872071 598434590 /nfs/dbraw/zinc/43/45/90/598434590.db2.gz WIPKZJOVMKHNPD-AWEZNQCLSA-N -1 3 395.427 0.375 20 0 GCADHM CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736872071 598434591 /nfs/dbraw/zinc/43/45/91/598434591.db2.gz WIPKZJOVMKHNPD-AWEZNQCLSA-N -1 3 395.427 0.375 20 0 GCADHM COc1ncccc1CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737163794 598434907 /nfs/dbraw/zinc/43/49/07/598434907.db2.gz OXUKFLUYHNYPOC-UHFFFAOYSA-N -1 3 391.395 0.968 20 0 GCADHM COc1ncccc1CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737163794 598434908 /nfs/dbraw/zinc/43/49/08/598434908.db2.gz OXUKFLUYHNYPOC-UHFFFAOYSA-N -1 3 391.395 0.968 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCCC(=O)NC2CC2)cc1 ZINC000737776413 598435050 /nfs/dbraw/zinc/43/50/50/598435050.db2.gz MRJRBCYHUMHQBT-UHFFFAOYSA-N -1 3 395.427 0.423 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCCC(=O)NC2CC2)cc1 ZINC000737776413 598435052 /nfs/dbraw/zinc/43/50/52/598435052.db2.gz MRJRBCYHUMHQBT-UHFFFAOYSA-N -1 3 395.427 0.423 20 0 GCADHM COCCn1cc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cn1 ZINC000737015922 598435275 /nfs/dbraw/zinc/43/52/75/598435275.db2.gz HFUKDOCNYWENKS-UHFFFAOYSA-N -1 3 394.399 0.730 20 0 GCADHM COCCn1cc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cn1 ZINC000737015922 598435277 /nfs/dbraw/zinc/43/52/77/598435277.db2.gz HFUKDOCNYWENKS-UHFFFAOYSA-N -1 3 394.399 0.730 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)NC(C)(C)C ZINC000736116478 598435542 /nfs/dbraw/zinc/43/55/42/598435542.db2.gz APPGYCRTEWORRJ-SNVBAGLBSA-N -1 3 397.443 0.668 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)NC(C)(C)C ZINC000736116478 598435543 /nfs/dbraw/zinc/43/55/43/598435543.db2.gz APPGYCRTEWORRJ-SNVBAGLBSA-N -1 3 397.443 0.668 20 0 GCADHM CCN(CCC(=O)OC)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736538625 598436083 /nfs/dbraw/zinc/43/60/83/598436083.db2.gz ZGAOKPVKDVTTLD-UHFFFAOYSA-N -1 3 384.400 0.660 20 0 GCADHM CCN(CCC(=O)OC)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736538625 598436084 /nfs/dbraw/zinc/43/60/84/598436084.db2.gz ZGAOKPVKDVTTLD-UHFFFAOYSA-N -1 3 384.400 0.660 20 0 GCADHM COC(=O)CCCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736913207 598436107 /nfs/dbraw/zinc/43/61/07/598436107.db2.gz YLAFDHWEPBKCCY-UHFFFAOYSA-N -1 3 384.400 0.708 20 0 GCADHM COC(=O)CCCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736913207 598436108 /nfs/dbraw/zinc/43/61/08/598436108.db2.gz YLAFDHWEPBKCCY-UHFFFAOYSA-N -1 3 384.400 0.708 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000737775879 598436679 /nfs/dbraw/zinc/43/66/79/598436679.db2.gz HFTJYHSLAJCEMQ-UHFFFAOYSA-N -1 3 393.455 0.802 20 0 GCADHM NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737745624 598436996 /nfs/dbraw/zinc/43/69/96/598436996.db2.gz DMKIFRGJLUKFFQ-ZDUSSCGKSA-N -1 3 395.427 0.505 20 0 GCADHM NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737745624 598436998 /nfs/dbraw/zinc/43/69/98/598436998.db2.gz DMKIFRGJLUKFFQ-ZDUSSCGKSA-N -1 3 395.427 0.505 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCNc2ncccn2)cc1 ZINC000737775852 598437015 /nfs/dbraw/zinc/43/70/15/598437015.db2.gz GIVCXAQHMMMALS-UHFFFAOYSA-N -1 3 391.399 0.267 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCNc2ncccn2)cc1 ZINC000737775852 598437017 /nfs/dbraw/zinc/43/70/17/598437017.db2.gz GIVCXAQHMMMALS-UHFFFAOYSA-N -1 3 391.399 0.267 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736906923 598438440 /nfs/dbraw/zinc/43/84/40/598438440.db2.gz ACCYYMNAERZINN-GFCCVEGCSA-N -1 3 396.411 0.660 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736906923 598438442 /nfs/dbraw/zinc/43/84/42/598438442.db2.gz ACCYYMNAERZINN-GFCCVEGCSA-N -1 3 396.411 0.660 20 0 GCADHM CCOCCNC(=S)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736623277 598440954 /nfs/dbraw/zinc/44/09/54/598440954.db2.gz CXDIBACGRIHVAK-UHFFFAOYSA-N -1 3 376.490 0.731 20 0 GCADHM CCOCCNC(=S)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736623277 598440955 /nfs/dbraw/zinc/44/09/55/598440955.db2.gz CXDIBACGRIHVAK-UHFFFAOYSA-N -1 3 376.490 0.731 20 0 GCADHM COC[C@@H](C)NC(=S)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736971701 598441345 /nfs/dbraw/zinc/44/13/45/598441345.db2.gz WAGCOHZZFWMUNY-LLVKDONJSA-N -1 3 376.490 0.730 20 0 GCADHM COC[C@@H](C)NC(=S)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736971701 598441347 /nfs/dbraw/zinc/44/13/47/598441347.db2.gz WAGCOHZZFWMUNY-LLVKDONJSA-N -1 3 376.490 0.730 20 0 GCADHM O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737969120 598445039 /nfs/dbraw/zinc/44/50/39/598445039.db2.gz OEEDTUSBSAJLKM-UHFFFAOYSA-N -1 3 377.408 0.789 20 0 GCADHM O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737969120 598445040 /nfs/dbraw/zinc/44/50/40/598445040.db2.gz OEEDTUSBSAJLKM-UHFFFAOYSA-N -1 3 377.408 0.789 20 0 GCADHM CCNC(=O)COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736576606 598445262 /nfs/dbraw/zinc/44/52/62/598445262.db2.gz WBJFDNLTDYLHDA-UHFFFAOYSA-N -1 3 381.396 0.707 20 0 GCADHM CCNC(=O)COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736576606 598445264 /nfs/dbraw/zinc/44/52/64/598445264.db2.gz WBJFDNLTDYLHDA-UHFFFAOYSA-N -1 3 381.396 0.707 20 0 GCADHM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738149673 598446108 /nfs/dbraw/zinc/44/61/08/598446108.db2.gz FNMDCNJCGUANFZ-UHFFFAOYSA-N -1 3 379.380 0.986 20 0 GCADHM O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738149673 598446109 /nfs/dbraw/zinc/44/61/09/598446109.db2.gz FNMDCNJCGUANFZ-UHFFFAOYSA-N -1 3 379.380 0.986 20 0 GCADHM NC(=O)c1ccc(-c2nnn(CCOc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737756790 598447492 /nfs/dbraw/zinc/44/74/92/598447492.db2.gz ZOLNFUHPNDLSOB-UHFFFAOYSA-N -1 3 377.368 0.698 20 0 GCADHM O=C(COCC(F)(F)F)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737915444 598449412 /nfs/dbraw/zinc/44/94/12/598449412.db2.gz IJOVTPKGHUYFND-UHFFFAOYSA-N -1 3 385.350 0.926 20 0 GCADHM O=C(COCC(F)(F)F)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737915444 598449414 /nfs/dbraw/zinc/44/94/14/598449414.db2.gz IJOVTPKGHUYFND-UHFFFAOYSA-N -1 3 385.350 0.926 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CCc2ccncc2)CC1 ZINC000738348615 598451027 /nfs/dbraw/zinc/45/10/27/598451027.db2.gz VKKPXPRBJWOITN-UHFFFAOYSA-N -1 3 399.480 0.811 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CCc2ccncc2)CC1 ZINC000738348615 598451028 /nfs/dbraw/zinc/45/10/28/598451028.db2.gz VKKPXPRBJWOITN-UHFFFAOYSA-N -1 3 399.480 0.811 20 0 GCADHM CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC000736871411 598451738 /nfs/dbraw/zinc/45/17/38/598451738.db2.gz SRPWDZCQMWDJQW-INIZCTEOSA-N -1 3 393.407 0.819 20 0 GCADHM CNC(=O)[C@@H]1CN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000736871411 598451740 /nfs/dbraw/zinc/45/17/40/598451740.db2.gz SRPWDZCQMWDJQW-INIZCTEOSA-N -1 3 393.407 0.819 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736805955 598454903 /nfs/dbraw/zinc/45/49/03/598454903.db2.gz KSBKIQRLYZKLBX-UHFFFAOYSA-N -1 3 394.439 0.491 20 0 GCADHM CCOC(=O)NCCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736600840 598455706 /nfs/dbraw/zinc/45/57/06/598455706.db2.gz ONYZXMTUDJJNEF-UHFFFAOYSA-N -1 3 388.432 0.483 20 0 GCADHM CCOC(=O)NCCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736600840 598455707 /nfs/dbraw/zinc/45/57/07/598455707.db2.gz ONYZXMTUDJJNEF-UHFFFAOYSA-N -1 3 388.432 0.483 20 0 GCADHM O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000738065305 598458239 /nfs/dbraw/zinc/45/82/39/598458239.db2.gz IDIKQKBHPQBVQG-UHFFFAOYSA-N -1 3 398.427 0.636 20 0 GCADHM O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000738065305 598458240 /nfs/dbraw/zinc/45/82/40/598458240.db2.gz IDIKQKBHPQBVQG-UHFFFAOYSA-N -1 3 398.427 0.636 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000738261417 598459119 /nfs/dbraw/zinc/45/91/19/598459119.db2.gz NOBMRCKWMKSGGT-UHFFFAOYSA-N -1 3 389.423 0.867 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000738261417 598459120 /nfs/dbraw/zinc/45/91/20/598459120.db2.gz NOBMRCKWMKSGGT-UHFFFAOYSA-N -1 3 389.423 0.867 20 0 GCADHM O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738076634 598459490 /nfs/dbraw/zinc/45/94/90/598459490.db2.gz WOSZYDHCCTUARF-UHFFFAOYSA-N -1 3 378.440 0.814 20 0 GCADHM O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738076634 598459492 /nfs/dbraw/zinc/45/94/92/598459492.db2.gz WOSZYDHCCTUARF-UHFFFAOYSA-N -1 3 378.440 0.814 20 0 GCADHM O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738039799 598460811 /nfs/dbraw/zinc/46/08/11/598460811.db2.gz MSFYORBUOAZQST-MRXNPFEDSA-N -1 3 375.458 0.199 20 0 GCADHM O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738039799 598460812 /nfs/dbraw/zinc/46/08/12/598460812.db2.gz MSFYORBUOAZQST-MRXNPFEDSA-N -1 3 375.458 0.199 20 0 GCADHM CCOCCS(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736627288 598463866 /nfs/dbraw/zinc/46/38/66/598463866.db2.gz SGDQYBHJUVYOSC-UHFFFAOYSA-N -1 3 381.462 0.186 20 0 GCADHM CCOCCS(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736627288 598463868 /nfs/dbraw/zinc/46/38/68/598463868.db2.gz SGDQYBHJUVYOSC-UHFFFAOYSA-N -1 3 381.462 0.186 20 0 GCADHM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735963723 598463949 /nfs/dbraw/zinc/46/39/49/598463949.db2.gz KVBUNNSUYMHKBE-LBPRGKRZSA-N -1 3 392.489 0.359 20 0 GCADHM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735963723 598463951 /nfs/dbraw/zinc/46/39/51/598463951.db2.gz KVBUNNSUYMHKBE-LBPRGKRZSA-N -1 3 392.489 0.359 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1)NC1CCCCC1 ZINC000737872312 598465474 /nfs/dbraw/zinc/46/54/74/598465474.db2.gz FGFJZQUDRPMIIJ-UHFFFAOYSA-N -1 3 398.471 0.468 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1)NC1CCCCC1 ZINC000737872312 598465475 /nfs/dbraw/zinc/46/54/75/598465475.db2.gz FGFJZQUDRPMIIJ-UHFFFAOYSA-N -1 3 398.471 0.468 20 0 GCADHM C[C@@H](Cn1cccn1)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736075923 598469374 /nfs/dbraw/zinc/46/93/74/598469374.db2.gz BACBQYFMTHBNJG-ZDUSSCGKSA-N -1 3 396.459 0.815 20 0 GCADHM C[C@@H](Cn1cccn1)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736075923 598469375 /nfs/dbraw/zinc/46/93/75/598469375.db2.gz BACBQYFMTHBNJG-ZDUSSCGKSA-N -1 3 396.459 0.815 20 0 GCADHM C[C@H](Cn1cccn1)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736075920 598469392 /nfs/dbraw/zinc/46/93/92/598469392.db2.gz BACBQYFMTHBNJG-CYBMUJFWSA-N -1 3 396.459 0.815 20 0 GCADHM C[C@H](Cn1cccn1)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736075920 598469393 /nfs/dbraw/zinc/46/93/93/598469393.db2.gz BACBQYFMTHBNJG-CYBMUJFWSA-N -1 3 396.459 0.815 20 0 GCADHM CCOCCN(CC)CC(=O)N1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1 ZINC000736617741 598470037 /nfs/dbraw/zinc/47/00/37/598470037.db2.gz GQBKEZUFGLVUQD-UHFFFAOYSA-N -1 3 392.464 0.170 20 0 GCADHM CCOCCN(CC)CC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000736617741 598470039 /nfs/dbraw/zinc/47/00/39/598470039.db2.gz GQBKEZUFGLVUQD-UHFFFAOYSA-N -1 3 392.464 0.170 20 0 GCADHM CNC(=O)CCCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736871421 598470186 /nfs/dbraw/zinc/47/01/86/598470186.db2.gz STRLZDULTMWPAK-UHFFFAOYSA-N -1 3 387.448 0.056 20 0 GCADHM CNC(=O)CCCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736871421 598470188 /nfs/dbraw/zinc/47/01/88/598470188.db2.gz STRLZDULTMWPAK-UHFFFAOYSA-N -1 3 387.448 0.056 20 0 GCADHM Cc1noc(CCCNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737534973 598470367 /nfs/dbraw/zinc/47/03/67/598470367.db2.gz OSYKIDFGTOKDSH-UHFFFAOYSA-N -1 3 398.431 0.418 20 0 GCADHM Cc1noc(CCCNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737534973 598470368 /nfs/dbraw/zinc/47/03/68/598470368.db2.gz OSYKIDFGTOKDSH-UHFFFAOYSA-N -1 3 398.431 0.418 20 0 GCADHM CCNC(=O)[C@H](C)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736573608 598470370 /nfs/dbraw/zinc/47/03/70/598470370.db2.gz LBFVJNOCOXXOND-NSHDSACASA-N -1 3 387.448 0.054 20 0 GCADHM CCNC(=O)[C@H](C)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736573608 598470371 /nfs/dbraw/zinc/47/03/71/598470371.db2.gz LBFVJNOCOXXOND-NSHDSACASA-N -1 3 387.448 0.054 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737742989 598470477 /nfs/dbraw/zinc/47/04/77/598470477.db2.gz IACDFNQMBDZCHW-KRWDZBQOSA-N -1 3 377.408 0.890 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737742989 598470478 /nfs/dbraw/zinc/47/04/78/598470478.db2.gz IACDFNQMBDZCHW-KRWDZBQOSA-N -1 3 377.408 0.890 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737746984 598470592 /nfs/dbraw/zinc/47/05/92/598470592.db2.gz UZJVQLGJKTUSTF-GOSISDBHSA-N -1 3 391.435 0.568 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737746984 598470594 /nfs/dbraw/zinc/47/05/94/598470594.db2.gz UZJVQLGJKTUSTF-GOSISDBHSA-N -1 3 391.435 0.568 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737742799 598472511 /nfs/dbraw/zinc/47/25/11/598472511.db2.gz HCIGZJCOMIFFDM-OAHLLOKOSA-N -1 3 384.421 0.640 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737742799 598472513 /nfs/dbraw/zinc/47/25/13/598472513.db2.gz HCIGZJCOMIFFDM-OAHLLOKOSA-N -1 3 384.421 0.640 20 0 GCADHM O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738268590 598473575 /nfs/dbraw/zinc/47/35/75/598473575.db2.gz QGLNJAWAHHDIIM-UHFFFAOYSA-N -1 3 379.380 0.566 20 0 GCADHM O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738268590 598473576 /nfs/dbraw/zinc/47/35/76/598473576.db2.gz QGLNJAWAHHDIIM-UHFFFAOYSA-N -1 3 379.380 0.566 20 0 GCADHM O=C(COC(=O)c1cccc(-c2nnn[n-]2)c1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000737910336 598473914 /nfs/dbraw/zinc/47/39/14/598473914.db2.gz BGZPKKQQZNMEQB-NSHDSACASA-N -1 3 385.340 0.897 20 0 GCADHM O=C(COC(=O)c1cccc(-c2nn[n-]n2)c1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000737910336 598473915 /nfs/dbraw/zinc/47/39/15/598473915.db2.gz BGZPKKQQZNMEQB-NSHDSACASA-N -1 3 385.340 0.897 20 0 GCADHM O=C(COC(=O)c1sccc1-c1nnn[n-]1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000737915624 598473937 /nfs/dbraw/zinc/47/39/37/598473937.db2.gz KAKXJPMBEQPQRU-QMMMGPOBSA-N -1 3 391.369 0.958 20 0 GCADHM O=C(COC(=O)c1sccc1-c1nn[n-]n1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000737915624 598473938 /nfs/dbraw/zinc/47/39/38/598473938.db2.gz KAKXJPMBEQPQRU-QMMMGPOBSA-N -1 3 391.369 0.958 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000737908916 598474061 /nfs/dbraw/zinc/47/40/61/598474061.db2.gz MEYYCPYHECCSRZ-NSHDSACASA-N -1 3 385.340 0.897 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000737908916 598474063 /nfs/dbraw/zinc/47/40/63/598474063.db2.gz MEYYCPYHECCSRZ-NSHDSACASA-N -1 3 385.340 0.897 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738034490 598477131 /nfs/dbraw/zinc/47/71/31/598477131.db2.gz GAJYOJPEUWQZMS-ZDUSSCGKSA-N -1 3 376.442 0.728 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738034490 598477133 /nfs/dbraw/zinc/47/71/33/598477133.db2.gz GAJYOJPEUWQZMS-ZDUSSCGKSA-N -1 3 376.442 0.728 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000826432800 607358249 /nfs/dbraw/zinc/35/82/49/607358249.db2.gz LIYJNOGVRPCDPJ-HZPDHXFCSA-N -1 3 384.440 0.872 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]([C@@H]2CCOC2)C1 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CN(C)C(=O)Cn1cc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)nn1 ZINC000736747054 598489843 /nfs/dbraw/zinc/48/98/43/598489843.db2.gz LYBGMDJHWOXNHK-UHFFFAOYSA-N -1 3 386.420 0.355 20 0 GCADHM CN(C)C(=O)Cn1cc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)nn1 ZINC000736747054 598489844 /nfs/dbraw/zinc/48/98/44/598489844.db2.gz LYBGMDJHWOXNHK-UHFFFAOYSA-N -1 3 386.420 0.355 20 0 GCADHM O=C(CCN1CCCC1=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738301945 598500265 /nfs/dbraw/zinc/50/02/65/598500265.db2.gz GWPMWQVWZAUNLP-UHFFFAOYSA-N -1 3 383.456 0.918 20 0 GCADHM O=C(CCN1CCCC1=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738301945 598500266 /nfs/dbraw/zinc/50/02/66/598500266.db2.gz GWPMWQVWZAUNLP-UHFFFAOYSA-N -1 3 383.456 0.918 20 0 GCADHM C[C@@H]1C[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736235256 598501199 /nfs/dbraw/zinc/50/11/99/598501199.db2.gz FGVJCKCQVNFQBS-IAQYHMDHSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H]1C[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736235256 598501201 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O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCC(=O)OCc1ccccc1 ZINC000737890838 598513417 /nfs/dbraw/zinc/51/34/17/598513417.db2.gz ZCELYLOLOUAFHZ-UHFFFAOYSA-N -1 3 395.375 0.883 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCC(=O)OCc1ccccc1 ZINC000737890838 598513419 /nfs/dbraw/zinc/51/34/19/598513419.db2.gz ZCELYLOLOUAFHZ-UHFFFAOYSA-N -1 3 395.375 0.883 20 0 GCADHM CC(C)c1nnc(S(=O)(=O)CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1C ZINC000735952034 598515684 /nfs/dbraw/zinc/51/56/84/598515684.db2.gz CJHNACFBMFOFGY-UHFFFAOYSA-N -1 3 390.429 0.531 20 0 GCADHM CC(C)c1nnc(S(=O)(=O)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1C ZINC000735952034 598515686 /nfs/dbraw/zinc/51/56/86/598515686.db2.gz CJHNACFBMFOFGY-UHFFFAOYSA-N -1 3 390.429 0.531 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000738039987 598530901 /nfs/dbraw/zinc/53/09/01/598530901.db2.gz QSAHLCCDDAYLLN-AWEZNQCLSA-N -1 3 380.412 0.726 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000738039987 598530903 /nfs/dbraw/zinc/53/09/03/598530903.db2.gz QSAHLCCDDAYLLN-AWEZNQCLSA-N -1 3 380.412 0.726 20 0 GCADHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)NCC2CCC2)C1=O ZINC000736222160 598531338 /nfs/dbraw/zinc/53/13/38/598531338.db2.gz FAAIJKGOGNGWFN-GOSISDBHSA-N -1 3 383.412 0.550 20 0 GCADHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)NCC2CCC2)C1=O ZINC000736222160 598531339 /nfs/dbraw/zinc/53/13/39/598531339.db2.gz FAAIJKGOGNGWFN-GOSISDBHSA-N -1 3 383.412 0.550 20 0 GCADHM CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000736482253 598532516 /nfs/dbraw/zinc/53/25/16/598532516.db2.gz UOJJUCWLCSWYMG-UHFFFAOYSA-N -1 3 378.458 0.794 20 0 GCADHM CCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000736482253 598532519 /nfs/dbraw/zinc/53/25/19/598532519.db2.gz UOJJUCWLCSWYMG-UHFFFAOYSA-N -1 3 378.458 0.794 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCS(C)(=O)=O ZINC000737001557 598533557 /nfs/dbraw/zinc/53/35/57/598533557.db2.gz BNENUEXNLHIYIN-UHFFFAOYSA-N -1 3 381.458 0.667 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCS(C)(=O)=O ZINC000737001557 598533558 /nfs/dbraw/zinc/53/35/58/598533558.db2.gz BNENUEXNLHIYIN-UHFFFAOYSA-N -1 3 381.458 0.667 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccnc2ccnn21 ZINC000737928720 598533996 /nfs/dbraw/zinc/53/39/96/598533996.db2.gz FOPVBQNCPLSWDK-UHFFFAOYSA-N -1 3 398.408 0.463 20 0 GCADHM CCN1CCN(C(=O)CC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC000736570857 598537417 /nfs/dbraw/zinc/53/74/17/598537417.db2.gz NWEUHXJKBJTUIM-UHFFFAOYSA-N -1 3 385.476 0.427 20 0 GCADHM CCN1CCN(C(=O)CC2CCN(c3nccnc3-c3nn[n-]n3)CC2)CC1 ZINC000736570857 598537418 /nfs/dbraw/zinc/53/74/18/598537418.db2.gz NWEUHXJKBJTUIM-UHFFFAOYSA-N -1 3 385.476 0.427 20 0 GCADHM CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735683843 598539845 /nfs/dbraw/zinc/53/98/45/598539845.db2.gz FXIXQBLMAWEBND-UHFFFAOYSA-N -1 3 396.448 0.885 20 0 GCADHM Fc1cc(-c2nnn[n-]2)cc(F)c1N1CCN(c2ccc3nncn3n2)CC1 ZINC000737638520 598545481 /nfs/dbraw/zinc/54/54/81/598545481.db2.gz HUNURUAJARZFQZ-UHFFFAOYSA-N -1 3 384.354 0.909 20 0 GCADHM Fc1cc(-c2nn[n-]n2)cc(F)c1N1CCN(c2ccc3nncn3n2)CC1 ZINC000737638520 598545483 /nfs/dbraw/zinc/54/54/83/598545483.db2.gz HUNURUAJARZFQZ-UHFFFAOYSA-N -1 3 384.354 0.909 20 0 GCADHM NC(=O)[C@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000737746374 598549048 /nfs/dbraw/zinc/54/90/48/598549048.db2.gz SQSNFILSGZKQGC-LBPRGKRZSA-N -1 3 382.380 0.986 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CCO1 ZINC000737748470 598549970 /nfs/dbraw/zinc/54/99/70/598549970.db2.gz ZIZMYNGQXQUFAH-HNNXBMFYSA-N -1 3 398.379 0.365 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)NC1CCOCC1 ZINC000737880595 598553081 /nfs/dbraw/zinc/55/30/81/598553081.db2.gz AMAGLUZIFMMMKM-UHFFFAOYSA-N -1 3 389.435 0.423 20 0 GCADHM O=C(CN1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)NC1CCOCC1 ZINC000737873764 598553294 /nfs/dbraw/zinc/55/32/94/598553294.db2.gz PPFJJJVXXZXJTR-UHFFFAOYSA-N -1 3 385.472 0.280 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1ccn(CCN2CCOCC2)n1 ZINC000737919235 598555141 /nfs/dbraw/zinc/55/51/41/598555141.db2.gz RJQKHVVTGIZVAJ-UHFFFAOYSA-N -1 3 398.427 0.413 20 0 GCADHM CCCS(=O)(=O)Nc1ccc(C(=O)n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736497137 598556051 /nfs/dbraw/zinc/55/60/51/598556051.db2.gz CVXQAIMBLOUGOH-UHFFFAOYSA-N -1 3 376.402 0.486 20 0 GCADHM CCCS(=O)(=O)Nc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736497137 598556053 /nfs/dbraw/zinc/55/60/53/598556053.db2.gz CVXQAIMBLOUGOH-UHFFFAOYSA-N -1 3 376.402 0.486 20 0 GCADHM CCN(C1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1)S(C)(=O)=O ZINC000736511712 598556390 /nfs/dbraw/zinc/55/63/90/598556390.db2.gz JPEHYWWIYINSRL-UHFFFAOYSA-N -1 3 392.485 0.682 20 0 GCADHM CCN(C1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1)S(C)(=O)=O ZINC000736511712 598556391 /nfs/dbraw/zinc/55/63/91/598556391.db2.gz JPEHYWWIYINSRL-UHFFFAOYSA-N -1 3 392.485 0.682 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(c2nnc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000736658831 598556758 /nfs/dbraw/zinc/55/67/58/598556758.db2.gz KFFWIKJSSBKHTK-UHFFFAOYSA-N -1 3 380.478 0.524 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(c2nnc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000736658831 598556759 /nfs/dbraw/zinc/55/67/59/598556759.db2.gz KFFWIKJSSBKHTK-UHFFFAOYSA-N -1 3 380.478 0.524 20 0 GCADHM CON(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000737022660 598557754 /nfs/dbraw/zinc/55/77/54/598557754.db2.gz YXCASXUDJBWMBU-UHFFFAOYSA-N -1 3 380.430 0.287 20 0 GCADHM CON(C)C(=O)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000737022660 598557756 /nfs/dbraw/zinc/55/77/56/598557756.db2.gz YXCASXUDJBWMBU-UHFFFAOYSA-N -1 3 380.430 0.287 20 0 GCADHM O=C(COC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)NC1CCOCC1 ZINC000737905254 598558048 /nfs/dbraw/zinc/55/80/48/598558048.db2.gz WGLCLPLLQLCEGJ-UHFFFAOYSA-N -1 3 391.453 0.938 20 0 GCADHM O=C(COC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)NC1CCOCC1 ZINC000737905254 598558049 /nfs/dbraw/zinc/55/80/49/598558049.db2.gz WGLCLPLLQLCEGJ-UHFFFAOYSA-N -1 3 391.453 0.938 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000736279937 598563185 /nfs/dbraw/zinc/56/31/85/598563185.db2.gz LXQRNFCBBAWWMR-QMMMGPOBSA-N -1 3 382.327 0.654 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000736279937 598563186 /nfs/dbraw/zinc/56/31/86/598563186.db2.gz LXQRNFCBBAWWMR-QMMMGPOBSA-N -1 3 382.327 0.654 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N1CCC(CO)CC1 ZINC000738139107 598564295 /nfs/dbraw/zinc/56/42/95/598564295.db2.gz KTSHEXIIPTXGFD-UHFFFAOYSA-N -1 3 396.354 0.638 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N1CCC(CO)CC1 ZINC000738139107 598564296 /nfs/dbraw/zinc/56/42/96/598564296.db2.gz KTSHEXIIPTXGFD-UHFFFAOYSA-N -1 3 396.354 0.638 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N1CCC[C@H](O)C1 ZINC000738139772 598564377 /nfs/dbraw/zinc/56/43/77/598564377.db2.gz PNOGWHYSKSSYJR-VIFPVBQESA-N -1 3 382.327 0.390 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N1CCC[C@H](O)C1 ZINC000738139772 598564378 /nfs/dbraw/zinc/56/43/78/598564378.db2.gz PNOGWHYSKSSYJR-VIFPVBQESA-N -1 3 382.327 0.390 20 0 GCADHM CCc1nc(CN(CCOC)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000736703715 598566566 /nfs/dbraw/zinc/56/65/66/598566566.db2.gz FSODTMBVBMUSMU-UHFFFAOYSA-N -1 3 393.429 0.649 20 0 GCADHM CCc1nc(CN(CCOC)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000736703715 598566567 /nfs/dbraw/zinc/56/65/67/598566567.db2.gz FSODTMBVBMUSMU-UHFFFAOYSA-N -1 3 393.429 0.649 20 0 GCADHM CN1C(=S)N=NC1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737597272 598567304 /nfs/dbraw/zinc/56/73/04/598567304.db2.gz RVOYAYZPTKISMA-CYBMUJFWSA-N -1 3 399.484 0.612 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCCC1N=NC(=S)N1C1CC1 ZINC000737925327 598567516 /nfs/dbraw/zinc/56/75/16/598567516.db2.gz PUHJXTQNXNEKOV-UHFFFAOYSA-N -1 3 386.441 0.820 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCCC1N=NC(=S)N1C1CC1 ZINC000737925327 598567518 /nfs/dbraw/zinc/56/75/18/598567518.db2.gz PUHJXTQNXNEKOV-UHFFFAOYSA-N -1 3 386.441 0.820 20 0 GCADHM O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738050694 598577859 /nfs/dbraw/zinc/57/78/59/598577859.db2.gz FWDPFYRNWRRCRU-WFASDCNBSA-N -1 3 390.469 0.386 20 0 GCADHM Cc1cc(C)c(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(=O)[nH]1 ZINC000737241999 598578703 /nfs/dbraw/zinc/57/87/03/598578703.db2.gz TYOFXZWINHUNHQ-UHFFFAOYSA-N -1 3 380.412 0.942 20 0 GCADHM Cc1cc(C)c(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(=O)[nH]1 ZINC000737241999 598578704 /nfs/dbraw/zinc/57/87/04/598578704.db2.gz TYOFXZWINHUNHQ-UHFFFAOYSA-N -1 3 380.412 0.942 20 0 GCADHM O=C(NCCCN1CCCC1=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738066557 598580026 /nfs/dbraw/zinc/58/00/26/598580026.db2.gz QHAFWCJWXWWBAH-MRXNPFEDSA-N -1 3 383.456 0.964 20 0 GCADHM O=C(NCc1nnc2n1CCC2)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738122597 598580084 /nfs/dbraw/zinc/58/00/84/598580084.db2.gz DGJMGRZVASKLCO-AWEZNQCLSA-N -1 3 379.428 0.690 20 0 GCADHM NC(=O)C1(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000737739339 598580834 /nfs/dbraw/zinc/58/08/34/598580834.db2.gz NMAXNBHMPLFSBH-HNNXBMFYSA-N -1 3 399.455 0.234 20 0 GCADHM CC1(C)COCCN1CCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736213223 598581800 /nfs/dbraw/zinc/58/18/00/598581800.db2.gz FPKLMDJFYDILQT-UHFFFAOYSA-N -1 3 384.437 0.395 20 0 GCADHM CC1(C)COCCN1CCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736213223 598581801 /nfs/dbraw/zinc/58/18/01/598581801.db2.gz FPKLMDJFYDILQT-UHFFFAOYSA-N -1 3 384.437 0.395 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000736184547 598587312 /nfs/dbraw/zinc/58/73/12/598587312.db2.gz LQRZGACQCQTIJZ-JTQLQIEISA-N -1 3 382.446 0.078 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000736184547 598587314 /nfs/dbraw/zinc/58/73/14/598587314.db2.gz LQRZGACQCQTIJZ-JTQLQIEISA-N -1 3 382.446 0.078 20 0 GCADHM CN(c1cccc(-c2nn[nH]n2)c1)S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000736841280 598587920 /nfs/dbraw/zinc/58/79/20/598587920.db2.gz DCNOLJVYUTUHGL-UHFFFAOYSA-N -1 3 384.377 0.575 20 0 GCADHM COc1cc(C=O)ccc1OCC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737044797 598589617 /nfs/dbraw/zinc/58/96/17/598589617.db2.gz SRNRAXJCHSLRPN-UHFFFAOYSA-N -1 3 397.395 0.690 20 0 GCADHM COc1cc(C=O)ccc1OCC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737044797 598589619 /nfs/dbraw/zinc/58/96/19/598589619.db2.gz SRNRAXJCHSLRPN-UHFFFAOYSA-N -1 3 397.395 0.690 20 0 GCADHM NC(=O)C1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000737742073 598589667 /nfs/dbraw/zinc/58/96/67/598589667.db2.gz YVGWIMXIJTUMEO-UHFFFAOYSA-N -1 3 383.412 0.309 20 0 GCADHM NC(=O)C1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000737742073 598589669 /nfs/dbraw/zinc/58/96/69/598589669.db2.gz YVGWIMXIJTUMEO-UHFFFAOYSA-N -1 3 383.412 0.309 20 0 GCADHM CCS(=O)(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736663103 598593355 /nfs/dbraw/zinc/59/33/55/598593355.db2.gz CLALWXPSDSVQET-UHFFFAOYSA-N -1 3 383.453 0.067 20 0 GCADHM C[C@@H](CN1CCCC1=O)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735999454 598594527 /nfs/dbraw/zinc/59/45/27/598594527.db2.gz AOTNGHBAIDHLGE-BBRMVZONSA-N -1 3 383.456 0.963 20 0 GCADHM C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736010613 598594849 /nfs/dbraw/zinc/59/48/49/598594849.db2.gz STTKDPUUTFRLHA-PBHICJAKSA-N -1 3 385.472 0.672 20 0 GCADHM C[C@H]1CN(CCNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736284813 598596511 /nfs/dbraw/zinc/59/65/11/598596511.db2.gz GKUXIPHSFZEQSZ-YOEHRIQHSA-N -1 3 385.472 0.672 20 0 GCADHM CS(=O)(=O)CCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737161813 598596868 /nfs/dbraw/zinc/59/68/68/598596868.db2.gz FQATUAGYPATUFD-CQSZACIVSA-N -1 3 378.458 0.386 20 0 GCADHM C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120143 598597183 /nfs/dbraw/zinc/59/71/83/598597183.db2.gz XKYDJNHKOCYTBU-JTQLQIEISA-N -1 3 381.462 0.555 20 0 GCADHM C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120143 598597185 /nfs/dbraw/zinc/59/71/85/598597185.db2.gz XKYDJNHKOCYTBU-JTQLQIEISA-N -1 3 381.462 0.555 20 0 GCADHM CCS(=O)(=O)NCCOC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736663458 598598149 /nfs/dbraw/zinc/59/81/49/598598149.db2.gz FYOKPVUINYMVSR-CQSZACIVSA-N -1 3 397.457 0.753 20 0 GCADHM CCS(=O)(=O)NCCOC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736663458 598598151 /nfs/dbraw/zinc/59/81/51/598598151.db2.gz FYOKPVUINYMVSR-CQSZACIVSA-N -1 3 397.457 0.753 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735622579 598598807 /nfs/dbraw/zinc/59/88/07/598598807.db2.gz CPZDMUZJTBQTBN-UHFFFAOYSA-N -1 3 397.457 0.897 20 0 GCADHM O=C(CSCC(=O)N1CCOCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737932058 598599616 /nfs/dbraw/zinc/59/96/16/598599616.db2.gz IWCXLTFWVIYHNE-UHFFFAOYSA-N -1 3 380.405 0.536 20 0 GCADHM O=C(CSCC(=O)N1CCOCC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737932058 598599618 /nfs/dbraw/zinc/59/96/18/598599618.db2.gz IWCXLTFWVIYHNE-UHFFFAOYSA-N -1 3 380.405 0.536 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000737064812 598599873 /nfs/dbraw/zinc/59/98/73/598599873.db2.gz ZTJRSTUMONTDQF-UHFFFAOYSA-N -1 3 383.434 0.325 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000737064812 598599875 /nfs/dbraw/zinc/59/98/75/598599875.db2.gz ZTJRSTUMONTDQF-UHFFFAOYSA-N -1 3 383.434 0.325 20 0 GCADHM CC(C)C(=O)N1CCC(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)CC1 ZINC000735683840 598602046 /nfs/dbraw/zinc/60/20/46/598602046.db2.gz FUJYMKWEBSANEZ-UHFFFAOYSA-N -1 3 376.421 0.083 20 0 GCADHM CC(C)C(=O)N1CCC(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)CC1 ZINC000735683840 598602048 /nfs/dbraw/zinc/60/20/48/598602048.db2.gz FUJYMKWEBSANEZ-UHFFFAOYSA-N -1 3 376.421 0.083 20 0 GCADHM CSc1ncc(Cl)c(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)n1 ZINC000737190015 598602403 /nfs/dbraw/zinc/60/24/03/598602403.db2.gz SWNUYVUQQPYMBG-UHFFFAOYSA-N -1 3 381.809 0.668 20 0 GCADHM CSc1ncc(Cl)c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)n1 ZINC000737190015 598602405 /nfs/dbraw/zinc/60/24/05/598602405.db2.gz SWNUYVUQQPYMBG-UHFFFAOYSA-N -1 3 381.809 0.668 20 0 GCADHM Cc1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)nn1-c1ccccc1 ZINC000737240274 598602655 /nfs/dbraw/zinc/60/26/55/598602655.db2.gz FELBWSLTSXYNLP-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM Cc1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)nn1-c1ccccc1 ZINC000737240274 598602656 /nfs/dbraw/zinc/60/26/56/598602656.db2.gz FELBWSLTSXYNLP-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM Cc1c(CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)nnn1-c1ccccc1 ZINC000737211307 598604317 /nfs/dbraw/zinc/60/43/17/598604317.db2.gz KYBCIUXDPRFICP-UHFFFAOYSA-N -1 3 394.399 0.320 20 0 GCADHM Cc1c(CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)nnn1-c1ccccc1 ZINC000737211307 598604318 /nfs/dbraw/zinc/60/43/18/598604318.db2.gz KYBCIUXDPRFICP-UHFFFAOYSA-N -1 3 394.399 0.320 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccc(CO)c(F)c1 ZINC000737889819 598605114 /nfs/dbraw/zinc/60/51/14/598605114.db2.gz QTUFTCNIFDGUSC-UHFFFAOYSA-N -1 3 384.371 0.544 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccc(CO)c(F)c1 ZINC000737889819 598605116 /nfs/dbraw/zinc/60/51/16/598605116.db2.gz QTUFTCNIFDGUSC-UHFFFAOYSA-N -1 3 384.371 0.544 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCc1ccc2c(c1)OCCO2 ZINC000737771027 598605936 /nfs/dbraw/zinc/60/59/36/598605936.db2.gz OXLPDDQJHHEZKD-UHFFFAOYSA-N -1 3 385.384 0.593 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCc1ccc2c(c1)OCCO2 ZINC000737771027 598605937 /nfs/dbraw/zinc/60/59/37/598605937.db2.gz OXLPDDQJHHEZKD-UHFFFAOYSA-N -1 3 385.384 0.593 20 0 GCADHM Cc1nnc(S[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1CC(N)=O ZINC000737532780 598606177 /nfs/dbraw/zinc/60/61/77/598606177.db2.gz KOOYDUPUXODUKU-LBPRGKRZSA-N -1 3 399.440 0.150 20 0 GCADHM Cc1nnc(S[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1CC(N)=O ZINC000737532780 598606179 /nfs/dbraw/zinc/60/61/79/598606179.db2.gz KOOYDUPUXODUKU-LBPRGKRZSA-N -1 3 399.440 0.150 20 0 GCADHM Cc1nnc(S[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1CC(N)=O ZINC000737532767 598606269 /nfs/dbraw/zinc/60/62/69/598606269.db2.gz KOOYDUPUXODUKU-GFCCVEGCSA-N -1 3 399.440 0.150 20 0 GCADHM Cc1nnc(S[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1CC(N)=O ZINC000737532767 598606270 /nfs/dbraw/zinc/60/62/70/598606270.db2.gz KOOYDUPUXODUKU-GFCCVEGCSA-N -1 3 399.440 0.150 20 0 GCADHM CSCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737179225 598608093 /nfs/dbraw/zinc/60/80/93/598608093.db2.gz JMGFEPFZACKVKK-UHFFFAOYSA-N -1 3 382.471 0.063 20 0 GCADHM CSCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737179225 598608095 /nfs/dbraw/zinc/60/80/95/598608095.db2.gz JMGFEPFZACKVKK-UHFFFAOYSA-N -1 3 382.471 0.063 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737014133 598609499 /nfs/dbraw/zinc/60/94/99/598609499.db2.gz NJZLQMUBUFLGIR-UHFFFAOYSA-N -1 3 379.402 0.259 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737014133 598609500 /nfs/dbraw/zinc/60/95/00/598609500.db2.gz NJZLQMUBUFLGIR-UHFFFAOYSA-N -1 3 379.402 0.259 20 0 GCADHM Cn1cc(-c2noc(CS(=O)(=O)Cc3ccc(-c4nnn[n-]4)cc3)n2)cn1 ZINC000737604548 598609988 /nfs/dbraw/zinc/60/99/88/598609988.db2.gz XJZFZRCQGLROLZ-UHFFFAOYSA-N -1 3 386.397 0.765 20 0 GCADHM Cn1cc(-c2noc(CS(=O)(=O)Cc3ccc(-c4nn[n-]n4)cc3)n2)cn1 ZINC000737604548 598609989 /nfs/dbraw/zinc/60/99/89/598609989.db2.gz XJZFZRCQGLROLZ-UHFFFAOYSA-N -1 3 386.397 0.765 20 0 GCADHM COc1cc(C)nc(N2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737039212 598612126 /nfs/dbraw/zinc/61/21/26/598612126.db2.gz BRBOIKSOBQWZRK-UHFFFAOYSA-N -1 3 394.439 0.865 20 0 GCADHM COc1cc(C)nc(N2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737039212 598612127 /nfs/dbraw/zinc/61/21/27/598612127.db2.gz BRBOIKSOBQWZRK-UHFFFAOYSA-N -1 3 394.439 0.865 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1cccc(-n2cnnn2)c1 ZINC000738207815 598616107 /nfs/dbraw/zinc/61/61/07/598616107.db2.gz NYWFYKXKIQZGQK-UHFFFAOYSA-N -1 3 381.385 0.397 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1cccc(-n2cnnn2)c1 ZINC000738207815 598616109 /nfs/dbraw/zinc/61/61/09/598616109.db2.gz NYWFYKXKIQZGQK-UHFFFAOYSA-N -1 3 381.385 0.397 20 0 GCADHM CC(=O)NC1CCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735475769 598616875 /nfs/dbraw/zinc/61/68/75/598616875.db2.gz SOIIORQMHNTWAN-HNNXBMFYSA-N -1 3 383.412 0.099 20 0 GCADHM CC(=O)NC1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735475769 598616876 /nfs/dbraw/zinc/61/68/76/598616876.db2.gz SOIIORQMHNTWAN-HNNXBMFYSA-N -1 3 383.412 0.099 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737765245 598621984 /nfs/dbraw/zinc/62/19/84/598621984.db2.gz OLXKUPIBFNFHCX-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737765245 598621985 /nfs/dbraw/zinc/62/19/85/598621985.db2.gz OLXKUPIBFNFHCX-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM O=S(=O)(NCc1n[nH]cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000738338878 598622441 /nfs/dbraw/zinc/62/24/41/598622441.db2.gz OAFYAYKLDIWQAA-UHFFFAOYSA-N -1 3 384.219 0.831 20 0 GCADHM O=S(=O)(NCc1n[nH]cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000738338878 598622442 /nfs/dbraw/zinc/62/24/42/598622442.db2.gz OAFYAYKLDIWQAA-UHFFFAOYSA-N -1 3 384.219 0.831 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000738164018 598625312 /nfs/dbraw/zinc/62/53/12/598625312.db2.gz WMRYCGQYPQQCJE-CQSZACIVSA-N -1 3 389.391 0.861 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000738164018 598625313 /nfs/dbraw/zinc/62/53/13/598625313.db2.gz WMRYCGQYPQQCJE-CQSZACIVSA-N -1 3 389.391 0.861 20 0 GCADHM CS(=O)(=O)N1CCC(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737165430 598626591 /nfs/dbraw/zinc/62/65/91/598626591.db2.gz JOOCPAHSWPPNBQ-UHFFFAOYSA-N -1 3 397.436 0.799 20 0 GCADHM CS(=O)(=O)N1CCC(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737165430 598626593 /nfs/dbraw/zinc/62/65/93/598626593.db2.gz JOOCPAHSWPPNBQ-UHFFFAOYSA-N -1 3 397.436 0.799 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735624210 598627077 /nfs/dbraw/zinc/62/70/77/598627077.db2.gz YJPMXKQTPAWJEX-UHFFFAOYSA-N -1 3 385.425 0.845 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735624210 598627079 /nfs/dbraw/zinc/62/70/79/598627079.db2.gz YJPMXKQTPAWJEX-UHFFFAOYSA-N -1 3 385.425 0.845 20 0 GCADHM CS(=O)(=O)N1CCC(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737167186 598631391 /nfs/dbraw/zinc/63/13/91/598631391.db2.gz STIRHJMZQJCGHW-UHFFFAOYSA-N -1 3 383.409 0.551 20 0 GCADHM CS(=O)(=O)N1CCC(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737167186 598631393 /nfs/dbraw/zinc/63/13/93/598631393.db2.gz STIRHJMZQJCGHW-UHFFFAOYSA-N -1 3 383.409 0.551 20 0 GCADHM Cc1nn(C)c(N2CCN(CC(=O)N3CCCCCC3)CC2)c1-c1nnn[n-]1 ZINC000737510283 598631810 /nfs/dbraw/zinc/63/18/10/598631810.db2.gz CJRHGKSSZQUQEX-UHFFFAOYSA-N -1 3 387.492 0.433 20 0 GCADHM Cc1nn(C)c(N2CCN(CC(=O)N3CCCCCC3)CC2)c1-c1nn[n-]n1 ZINC000737510283 598631812 /nfs/dbraw/zinc/63/18/12/598631812.db2.gz CJRHGKSSZQUQEX-UHFFFAOYSA-N -1 3 387.492 0.433 20 0 GCADHM NS(=O)(=O)c1ccc(NC2CCN(C(=O)C3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC000737769558 598632295 /nfs/dbraw/zinc/63/22/95/598632295.db2.gz NFVYNZNJLZFNKA-UHFFFAOYSA-N -1 3 391.457 0.327 20 0 GCADHM NS(=O)(=O)c1ccc(NC2CCN(C(=O)C3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC000737769558 598632297 /nfs/dbraw/zinc/63/22/97/598632297.db2.gz NFVYNZNJLZFNKA-UHFFFAOYSA-N -1 3 391.457 0.327 20 0 GCADHM O=C(CN1CCOCC1)N1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000737883843 598632394 /nfs/dbraw/zinc/63/23/94/598632394.db2.gz JMTISCVURUIPRT-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM O=C(CN1CCOCC1)N1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000737883843 598632396 /nfs/dbraw/zinc/63/23/96/598632396.db2.gz JMTISCVURUIPRT-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM COc1ccc([C@@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)cc1 ZINC000737074725 598632790 /nfs/dbraw/zinc/63/27/90/598632790.db2.gz KCIZPMNHXINBCU-HNNXBMFYSA-N -1 3 390.425 0.668 20 0 GCADHM COc1ccc([C@@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)cc1 ZINC000737074725 598632792 /nfs/dbraw/zinc/63/27/92/598632792.db2.gz KCIZPMNHXINBCU-HNNXBMFYSA-N -1 3 390.425 0.668 20 0 GCADHM COc1ccc(C(=O)N2CCN(c3c(-c4nnn[n-]4)c(C)nn3C)CC2)cc1 ZINC000737065942 598633094 /nfs/dbraw/zinc/63/30/94/598633094.db2.gz KEIHYKZIOYHGNU-UHFFFAOYSA-N -1 3 382.428 0.880 20 0 GCADHM COc1ccc(C(=O)N2CCN(c3c(-c4nn[n-]n4)c(C)nn3C)CC2)cc1 ZINC000737065942 598633096 /nfs/dbraw/zinc/63/30/96/598633096.db2.gz KEIHYKZIOYHGNU-UHFFFAOYSA-N -1 3 382.428 0.880 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H](O)COc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737768909 598633530 /nfs/dbraw/zinc/63/35/30/598633530.db2.gz AYOWFFULWSADHX-NSHDSACASA-N -1 3 390.425 0.366 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H](O)COc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737768909 598633532 /nfs/dbraw/zinc/63/35/32/598633532.db2.gz AYOWFFULWSADHX-NSHDSACASA-N -1 3 390.425 0.366 20 0 GCADHM CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000735665680 598634634 /nfs/dbraw/zinc/63/46/34/598634634.db2.gz JIFJUKXSTTZKSI-UHFFFAOYSA-N -1 3 391.407 0.171 20 0 GCADHM CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000735665680 598634636 /nfs/dbraw/zinc/63/46/36/598634636.db2.gz JIFJUKXSTTZKSI-UHFFFAOYSA-N -1 3 391.407 0.171 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736877380 598635318 /nfs/dbraw/zinc/63/53/18/598635318.db2.gz JVKJSOYLXMBNRR-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000736877380 598635319 /nfs/dbraw/zinc/63/53/19/598635319.db2.gz JVKJSOYLXMBNRR-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM Cc1cc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)ncn1 ZINC000737272938 598637559 /nfs/dbraw/zinc/63/75/59/598637559.db2.gz WILQXPZZJHYCJG-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1cc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)ncn1 ZINC000737272938 598637561 /nfs/dbraw/zinc/63/75/61/598637561.db2.gz WILQXPZZJHYCJG-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM O=C(NC[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738042194 598637562 /nfs/dbraw/zinc/63/75/62/598637562.db2.gz WTZUNGMRRNLJRT-AWEZNQCLSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738042194 598637563 /nfs/dbraw/zinc/63/75/63/598637563.db2.gz WTZUNGMRRNLJRT-AWEZNQCLSA-N -1 3 388.334 0.933 20 0 GCADHM CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735838691 598637633 /nfs/dbraw/zinc/63/76/33/598637633.db2.gz SZSGUEDRRCUBDY-NSHDSACASA-N -1 3 380.380 0.094 20 0 GCADHM CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735838691 598637635 /nfs/dbraw/zinc/63/76/35/598637635.db2.gz SZSGUEDRRCUBDY-NSHDSACASA-N -1 3 380.380 0.094 20 0 GCADHM O=C(NCc1cccc2c1OCO2)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738115278 598639086 /nfs/dbraw/zinc/63/90/86/598639086.db2.gz ATLACXCQUCETDM-UHFFFAOYSA-N -1 3 384.327 0.989 20 0 GCADHM O=C(NCc1cccc2c1OCO2)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738115278 598639087 /nfs/dbraw/zinc/63/90/87/598639087.db2.gz ATLACXCQUCETDM-UHFFFAOYSA-N -1 3 384.327 0.989 20 0 GCADHM NC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737747454 598639327 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3 382.432 0.954 20 0 GCADHM O=C1[C@@H](N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCN1CC(F)(F)F ZINC000738290170 598701039 /nfs/dbraw/zinc/70/10/39/598701039.db2.gz NNEYNGXPJABKER-LBPRGKRZSA-N -1 3 396.377 0.547 20 0 GCADHM O=C1[C@@H](N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCN1CC(F)(F)F ZINC000738290170 598701041 /nfs/dbraw/zinc/70/10/41/598701041.db2.gz NNEYNGXPJABKER-LBPRGKRZSA-N -1 3 396.377 0.547 20 0 GCADHM O=C(COC(=O)c1cnc2sccn2c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416788 607363151 /nfs/dbraw/zinc/36/31/51/607363151.db2.gz PSJUAWKLHXEYOX-UHFFFAOYSA-N -1 3 382.361 0.976 20 0 GCADHM O=C(COC(=O)c1cnc2sccn2c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416788 607363153 /nfs/dbraw/zinc/36/31/53/607363153.db2.gz PSJUAWKLHXEYOX-UHFFFAOYSA-N -1 3 382.361 0.976 20 0 GCADHM Cn1cc(N2CC[C@@H](N3CCN(c4ccccc4-c4nnn[n-]4)CC3)C2=O)cn1 ZINC000737612309 598702762 /nfs/dbraw/zinc/70/27/62/598702762.db2.gz YFHYYTVFVRBTSO-QGZVFWFLSA-N -1 3 393.455 0.528 20 0 GCADHM Cn1cc(N2CC[C@@H](N3CCN(c4ccccc4-c4nn[n-]n4)CC3)C2=O)cn1 ZINC000737612309 598702764 /nfs/dbraw/zinc/70/27/64/598702764.db2.gz YFHYYTVFVRBTSO-QGZVFWFLSA-N -1 3 393.455 0.528 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737167196 598707859 /nfs/dbraw/zinc/70/78/59/598707859.db2.gz SYLHCBISWBQYEX-ZDUSSCGKSA-N -1 3 383.405 0.863 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737167196 598707861 /nfs/dbraw/zinc/70/78/61/598707861.db2.gz SYLHCBISWBQYEX-ZDUSSCGKSA-N -1 3 383.405 0.863 20 0 GCADHM CCc1nnc2n1CCN([C@@H]1CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000736709789 598712127 /nfs/dbraw/zinc/71/21/27/598712127.db2.gz ASBHQCVTEWOTJB-CYBMUJFWSA-N -1 3 393.411 0.168 20 0 GCADHM CCc1nnc2n1CCN([C@@H]1CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000736709789 598712128 /nfs/dbraw/zinc/71/21/28/598712128.db2.gz ASBHQCVTEWOTJB-CYBMUJFWSA-N -1 3 393.411 0.168 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000736711228 598713077 /nfs/dbraw/zinc/71/30/77/598713077.db2.gz RVDBGSVTQGRZDG-UHFFFAOYSA-N -1 3 394.848 0.879 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000736711228 598713079 /nfs/dbraw/zinc/71/30/79/598713079.db2.gz RVDBGSVTQGRZDG-UHFFFAOYSA-N -1 3 394.848 0.879 20 0 GCADHM C[C@H]1CN(C(=O)COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736282294 598713364 /nfs/dbraw/zinc/71/33/64/598713364.db2.gz XFIVDMAMFDNAHM-NSHDSACASA-N -1 3 377.426 0.749 20 0 GCADHM C[C@H]1CN(C(=O)COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736282294 598713366 /nfs/dbraw/zinc/71/33/66/598713366.db2.gz XFIVDMAMFDNAHM-NSHDSACASA-N -1 3 377.426 0.749 20 0 GCADHM CC(C)CNC(=O)NC(=O)COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735835762 598714324 /nfs/dbraw/zinc/71/43/24/598714324.db2.gz MZZYSQHICVSFAV-UHFFFAOYSA-N -1 3 392.441 0.984 20 0 GCADHM CC(C)CNC(=O)NC(=O)COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735835762 598714325 /nfs/dbraw/zinc/71/43/25/598714325.db2.gz MZZYSQHICVSFAV-UHFFFAOYSA-N -1 3 392.441 0.984 20 0 GCADHM COC(=O)CNC(=O)[C@@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736930336 598715236 /nfs/dbraw/zinc/71/52/36/598715236.db2.gz CGSYZWYQHWQMNN-SECBINFHSA-N -1 3 379.398 0.180 20 0 GCADHM COC(=O)CNC(=O)[C@@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736930336 598715238 /nfs/dbraw/zinc/71/52/38/598715238.db2.gz CGSYZWYQHWQMNN-SECBINFHSA-N -1 3 379.398 0.180 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736878035 598715410 /nfs/dbraw/zinc/71/54/10/598715410.db2.gz RNUYRSRLUWCEHK-JTQLQIEISA-N -1 3 395.379 0.805 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736878035 598715412 /nfs/dbraw/zinc/71/54/12/598715412.db2.gz RNUYRSRLUWCEHK-JTQLQIEISA-N -1 3 395.379 0.805 20 0 GCADHM COCCN(CC(F)F)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736995554 598718114 /nfs/dbraw/zinc/71/81/14/598718114.db2.gz TXAJGKXTRXZVJS-UHFFFAOYSA-N -1 3 392.370 0.988 20 0 GCADHM COCCN(CC(F)F)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736995554 598718116 /nfs/dbraw/zinc/71/81/16/598718116.db2.gz TXAJGKXTRXZVJS-UHFFFAOYSA-N -1 3 392.370 0.988 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000738036944 598722295 /nfs/dbraw/zinc/72/22/95/598722295.db2.gz ASOSBMHIYFZMJA-ZDUSSCGKSA-N -1 3 399.436 0.653 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2nccs2)C1 ZINC000738036944 598722296 /nfs/dbraw/zinc/72/22/96/598722296.db2.gz ASOSBMHIYFZMJA-ZDUSSCGKSA-N -1 3 399.436 0.653 20 0 GCADHM CCN(CC(=O)OC)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736514541 598722560 /nfs/dbraw/zinc/72/25/60/598722560.db2.gz ZQQLJOUSXURKMZ-QGZVFWFLSA-N -1 3 387.400 0.086 20 0 GCADHM CCN(CC(=O)OC)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736514541 598722562 /nfs/dbraw/zinc/72/25/62/598722562.db2.gz ZQQLJOUSXURKMZ-QGZVFWFLSA-N -1 3 387.400 0.086 20 0 GCADHM C[C@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736153944 598722835 /nfs/dbraw/zinc/72/28/35/598722835.db2.gz SCRJCLHJOYAJCX-WKEGUHRASA-N -1 3 379.764 0.072 20 0 GCADHM C[C@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736153944 598722836 /nfs/dbraw/zinc/72/28/36/598722836.db2.gz SCRJCLHJOYAJCX-WKEGUHRASA-N -1 3 379.764 0.072 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736191267 598722858 /nfs/dbraw/zinc/72/28/58/598722858.db2.gz YOLVLLLNOZOBSV-IAQYHMDHSA-N -1 3 397.395 0.716 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736191267 598722859 /nfs/dbraw/zinc/72/28/59/598722859.db2.gz YOLVLLLNOZOBSV-IAQYHMDHSA-N -1 3 397.395 0.716 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736171136 598723064 /nfs/dbraw/zinc/72/30/64/598723064.db2.gz ZZAPATDSZAFPOX-IAQYHMDHSA-N -1 3 397.395 0.716 20 0 GCADHM O=C(COC(=O)c1ccc2nccn2c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737910653 598723407 /nfs/dbraw/zinc/72/34/07/598723407.db2.gz IGKGCFLBLQZWGC-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM O=C(COC(=O)c1ccc2nccn2c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737910653 598723410 /nfs/dbraw/zinc/72/34/10/598723410.db2.gz IGKGCFLBLQZWGC-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737610745 598723529 /nfs/dbraw/zinc/72/35/29/598723529.db2.gz QNKJZLCFBXPWRY-LFAOLKIESA-N -1 3 379.380 0.962 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737610745 598723530 /nfs/dbraw/zinc/72/35/30/598723530.db2.gz QNKJZLCFBXPWRY-LFAOLKIESA-N -1 3 379.380 0.962 20 0 GCADHM O=C(COC(=O)c1ccc2nccn2c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737912411 598723587 /nfs/dbraw/zinc/72/35/87/598723587.db2.gz XTHPUQUNPNLUDL-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM O=C(COC(=O)c1ccc2nccn2c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737912411 598723589 /nfs/dbraw/zinc/72/35/89/598723589.db2.gz XTHPUQUNPNLUDL-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)CC1 ZINC000735733612 598723675 /nfs/dbraw/zinc/72/36/75/598723675.db2.gz HNFRUWRGFXBPAC-CQSZACIVSA-N -1 3 379.442 0.527 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)CC1 ZINC000735733612 598723677 /nfs/dbraw/zinc/72/36/77/598723677.db2.gz HNFRUWRGFXBPAC-CQSZACIVSA-N -1 3 379.442 0.527 20 0 GCADHM CCn1nc(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)ccc1=O ZINC000736729575 598724743 /nfs/dbraw/zinc/72/47/43/598724743.db2.gz WNPHHVRMNXBWIX-UHFFFAOYSA-N -1 3 375.370 0.300 20 0 GCADHM CCn1nc(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)ccc1=O ZINC000736729575 598724744 /nfs/dbraw/zinc/72/47/44/598724744.db2.gz WNPHHVRMNXBWIX-UHFFFAOYSA-N -1 3 375.370 0.300 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)CC1 ZINC000737792371 598724971 /nfs/dbraw/zinc/72/49/71/598724971.db2.gz PKURFWXWDMKROU-AWEZNQCLSA-N -1 3 376.442 0.093 20 0 GCADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(=O)NC(N)=O ZINC000736157239 598725983 /nfs/dbraw/zinc/72/59/83/598725983.db2.gz ILQXEPPYDAPWEM-SECBINFHSA-N -1 3 397.351 0.794 20 0 GCADHM C[C@@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(=O)NC(N)=O ZINC000736157239 598725984 /nfs/dbraw/zinc/72/59/84/598725984.db2.gz ILQXEPPYDAPWEM-SECBINFHSA-N -1 3 397.351 0.794 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@@H](n2ccnc2)C1 ZINC000738078125 598726121 /nfs/dbraw/zinc/72/61/21/598726121.db2.gz NDDDETICNBKLEI-CYBMUJFWSA-N -1 3 382.432 0.917 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@@H](n2ccnc2)C1 ZINC000738078125 598726122 /nfs/dbraw/zinc/72/61/22/598726122.db2.gz NDDDETICNBKLEI-CYBMUJFWSA-N -1 3 382.432 0.917 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)C2 ZINC000735953743 598732008 /nfs/dbraw/zinc/73/20/08/598732008.db2.gz ZTJKVCZHCUXEJT-UHFFFAOYSA-N -1 3 397.447 0.614 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)C2 ZINC000735953743 598732009 /nfs/dbraw/zinc/73/20/09/598732009.db2.gz ZTJKVCZHCUXEJT-UHFFFAOYSA-N -1 3 397.447 0.614 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737130851 598734316 /nfs/dbraw/zinc/73/43/16/598734316.db2.gz ZBFOIOYQXNPPLQ-HNNXBMFYSA-N -1 3 382.380 0.664 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737130851 598734318 /nfs/dbraw/zinc/73/43/18/598734318.db2.gz ZBFOIOYQXNPPLQ-HNNXBMFYSA-N -1 3 382.380 0.664 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000738318029 598737599 /nfs/dbraw/zinc/73/75/99/598737599.db2.gz HWOMQISPEZEWQV-AWEZNQCLSA-N -1 3 380.364 0.999 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000738318029 598737601 /nfs/dbraw/zinc/73/76/01/598737601.db2.gz HWOMQISPEZEWQV-AWEZNQCLSA-N -1 3 380.364 0.999 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000738317251 598739605 /nfs/dbraw/zinc/73/96/05/598739605.db2.gz ZXJRANMEDMWAHL-NXEZZACHSA-N -1 3 399.333 0.674 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000738317251 598739606 /nfs/dbraw/zinc/73/96/06/598739606.db2.gz ZXJRANMEDMWAHL-NXEZZACHSA-N -1 3 399.333 0.674 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737165136 598739993 /nfs/dbraw/zinc/73/99/93/598739993.db2.gz GKJJKOUWZMNBMV-CYBMUJFWSA-N -1 3 381.414 0.213 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736167296 598742990 /nfs/dbraw/zinc/74/29/90/598742990.db2.gz FAZBYTVCVBBEHQ-BXKDBHETSA-N -1 3 398.345 0.913 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)COc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000737443954 598743531 /nfs/dbraw/zinc/74/35/31/598743531.db2.gz KEMQZMJKWWZLTB-AWEZNQCLSA-N -1 3 383.412 0.678 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)COc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000737443954 598743533 /nfs/dbraw/zinc/74/35/33/598743533.db2.gz KEMQZMJKWWZLTB-AWEZNQCLSA-N -1 3 383.412 0.678 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737762251 598743835 /nfs/dbraw/zinc/74/38/35/598743835.db2.gz WNTIUFBDXBLORO-OAHLLOKOSA-N -1 3 391.435 0.903 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737762251 598743837 /nfs/dbraw/zinc/74/38/37/598743837.db2.gz WNTIUFBDXBLORO-OAHLLOKOSA-N -1 3 391.435 0.903 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000738115461 598749543 /nfs/dbraw/zinc/74/95/43/598749543.db2.gz BRIHMPCLIOBPRI-NSHDSACASA-N -1 3 383.334 0.829 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000738115461 598749545 /nfs/dbraw/zinc/74/95/45/598749545.db2.gz BRIHMPCLIOBPRI-NSHDSACASA-N -1 3 383.334 0.829 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737446349 598749876 /nfs/dbraw/zinc/74/98/76/598749876.db2.gz XOZCNZPQGADUSH-INIZCTEOSA-N -1 3 382.428 0.982 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737446349 598749877 /nfs/dbraw/zinc/74/98/77/598749877.db2.gz XOZCNZPQGADUSH-INIZCTEOSA-N -1 3 382.428 0.982 20 0 GCADHM COC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736967893 598751184 /nfs/dbraw/zinc/75/11/84/598751184.db2.gz NKUDAYRCUKTGNA-GXFFZTMASA-N -1 3 376.442 0.989 20 0 GCADHM COC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736967893 598751185 /nfs/dbraw/zinc/75/11/85/598751185.db2.gz NKUDAYRCUKTGNA-GXFFZTMASA-N -1 3 376.442 0.989 20 0 GCADHM COC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736967892 598751351 /nfs/dbraw/zinc/75/13/51/598751351.db2.gz NKUDAYRCUKTGNA-GWCFXTLKSA-N -1 3 376.442 0.989 20 0 GCADHM COC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736967892 598751353 /nfs/dbraw/zinc/75/13/53/598751353.db2.gz NKUDAYRCUKTGNA-GWCFXTLKSA-N -1 3 376.442 0.989 20 0 GCADHM CN(Cc1cc[nH]n1)CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736812667 598755856 /nfs/dbraw/zinc/75/58/56/598755856.db2.gz FWYYXQDCXSFEQL-UHFFFAOYSA-N -1 3 381.400 0.444 20 0 GCADHM CN(Cc1cc[nH]n1)CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736812667 598755857 /nfs/dbraw/zinc/75/58/57/598755857.db2.gz FWYYXQDCXSFEQL-UHFFFAOYSA-N -1 3 381.400 0.444 20 0 GCADHM CN(Cc1cc[nH]n1)CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736812082 598756010 /nfs/dbraw/zinc/75/60/10/598756010.db2.gz BRGNVQDYCHMPCY-KRWDZBQOSA-N -1 3 381.400 0.446 20 0 GCADHM CN(Cc1cc[nH]n1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736812082 598756011 /nfs/dbraw/zinc/75/60/11/598756011.db2.gz BRGNVQDYCHMPCY-KRWDZBQOSA-N -1 3 381.400 0.446 20 0 GCADHM COCCc1noc(CN2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737014231 598757493 /nfs/dbraw/zinc/75/74/93/598757493.db2.gz OBHQPLWXQAUHRP-UHFFFAOYSA-N -1 3 384.444 0.756 20 0 GCADHM CN(CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000736801540 598758971 /nfs/dbraw/zinc/75/89/71/598758971.db2.gz YCFYOYGQTKOQJP-UHFFFAOYSA-N -1 3 385.350 0.207 20 0 GCADHM CN(CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000736801540 598758972 /nfs/dbraw/zinc/75/89/72/598758972.db2.gz YCFYOYGQTKOQJP-UHFFFAOYSA-N -1 3 385.350 0.207 20 0 GCADHM O=C1NCCN1[C@H]1CCCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000738291411 598761720 /nfs/dbraw/zinc/76/17/20/598761720.db2.gz UPHNDXVVYWWRBM-JKSUJKDBSA-N -1 3 396.455 0.462 20 0 GCADHM CCn1cnnc1[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736722703 598763761 /nfs/dbraw/zinc/76/37/61/598763761.db2.gz RGVVFHASTDPYBX-MRXNPFEDSA-N -1 3 395.471 0.974 20 0 GCADHM CCn1cnnc1[C@H]1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736722700 598763953 /nfs/dbraw/zinc/76/39/53/598763953.db2.gz RGVVFHASTDPYBX-INIZCTEOSA-N -1 3 395.471 0.974 20 0 GCADHM Cc1nc(CN2CCN(C(=O)C=Cc3cccc(-c4nnn[n-]4)c3)CC2)no1 ZINC000737476120 598768129 /nfs/dbraw/zinc/76/81/29/598768129.db2.gz CSNMPZPOTKHZBY-WAYWQWQTSA-N -1 3 380.412 0.916 20 0 GCADHM Cc1nc(CN2CCN(C(=O)C=Cc3cccc(-c4nn[n-]n4)c3)CC2)no1 ZINC000737476120 598768131 /nfs/dbraw/zinc/76/81/31/598768131.db2.gz CSNMPZPOTKHZBY-WAYWQWQTSA-N -1 3 380.412 0.916 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCC[C@@H](CCO)C2)cc1 ZINC000822899663 607366661 /nfs/dbraw/zinc/36/66/61/607366661.db2.gz NVGWRXHSERFWAC-LBPRGKRZSA-N -1 3 382.428 0.869 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCC[C@@H](CCO)C2)cc1 ZINC000822899663 607366662 /nfs/dbraw/zinc/36/66/62/607366662.db2.gz NVGWRXHSERFWAC-LBPRGKRZSA-N -1 3 382.428 0.869 20 0 GCADHM C[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)C(=O)NC(=O)NC(C)(C)C ZINC000736157162 598773695 /nfs/dbraw/zinc/77/36/95/598773695.db2.gz ZTDWORQORXUTLO-SNVBAGLBSA-N -1 3 390.400 0.802 20 0 GCADHM C[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)C(=O)NC(=O)NC(C)(C)C ZINC000736157162 598773696 /nfs/dbraw/zinc/77/36/96/598773696.db2.gz ZTDWORQORXUTLO-SNVBAGLBSA-N -1 3 390.400 0.802 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736788621 598776507 /nfs/dbraw/zinc/77/65/07/598776507.db2.gz URVKSKLDWSZZLM-LBPRGKRZSA-N -1 3 397.361 0.900 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736788621 598776509 /nfs/dbraw/zinc/77/65/09/598776509.db2.gz URVKSKLDWSZZLM-LBPRGKRZSA-N -1 3 397.361 0.900 20 0 GCADHM C[C@H](NS(C)(=O)=O)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736129199 598777285 /nfs/dbraw/zinc/77/72/85/598777285.db2.gz CWYNZXHFHQEGJI-NSHDSACASA-N -1 3 394.457 0.174 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC(Oc2ccccc2)C1 ZINC000738036939 598778451 /nfs/dbraw/zinc/77/84/51/598778451.db2.gz AKZABKRFTWLEIY-UHFFFAOYSA-N -1 3 378.392 0.886 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC(Oc2ccccc2)C1 ZINC000738036939 598778452 /nfs/dbraw/zinc/77/84/52/598778452.db2.gz AKZABKRFTWLEIY-UHFFFAOYSA-N -1 3 378.392 0.886 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735643252 598778620 /nfs/dbraw/zinc/77/86/20/598778620.db2.gz LRQGSWJDDPBRGP-SANMLTNESA-N -1 3 378.458 0.260 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735643252 598778622 /nfs/dbraw/zinc/77/86/22/598778622.db2.gz LRQGSWJDDPBRGP-SANMLTNESA-N -1 3 378.458 0.260 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H]1Cn1cncn1 ZINC000738076623 598778914 /nfs/dbraw/zinc/77/89/14/598778914.db2.gz YPTKGGMGRZMIQO-CYBMUJFWSA-N -1 3 383.420 0.139 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H]1Cn1cncn1 ZINC000738076623 598778915 /nfs/dbraw/zinc/77/89/15/598778915.db2.gz YPTKGGMGRZMIQO-CYBMUJFWSA-N -1 3 383.420 0.139 20 0 GCADHM NC(=O)CN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737745854 598780343 /nfs/dbraw/zinc/78/03/43/598780343.db2.gz GMEYHMULMLYYSC-UHFFFAOYSA-N -1 3 393.407 0.111 20 0 GCADHM NC(=O)CN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737745854 598780346 /nfs/dbraw/zinc/78/03/46/598780346.db2.gz GMEYHMULMLYYSC-UHFFFAOYSA-N -1 3 393.407 0.111 20 0 GCADHM O=C(Cn1ncn2nccc2c1=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737986053 598781574 /nfs/dbraw/zinc/78/15/74/598781574.db2.gz SVWDOFLHFDSQCY-UHFFFAOYSA-N -1 3 391.351 0.067 20 0 GCADHM O=C(Cn1ncn2nccc2c1=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737986053 598781575 /nfs/dbraw/zinc/78/15/75/598781575.db2.gz SVWDOFLHFDSQCY-UHFFFAOYSA-N -1 3 391.351 0.067 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735690676 598782142 /nfs/dbraw/zinc/78/21/42/598782142.db2.gz BLFAKVCCURADOZ-SFHVURJKSA-N -1 3 388.476 0.937 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735690676 598782143 /nfs/dbraw/zinc/78/21/43/598782143.db2.gz BLFAKVCCURADOZ-SFHVURJKSA-N -1 3 388.476 0.937 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)[C@@H](C)CC ZINC000736636140 598783884 /nfs/dbraw/zinc/78/38/84/598783884.db2.gz PAGANDMLNUMAIN-GXFFZTMASA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)[C@@H](C)CC ZINC000736636140 598783886 /nfs/dbraw/zinc/78/38/86/598783886.db2.gz PAGANDMLNUMAIN-GXFFZTMASA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000737057785 598790512 /nfs/dbraw/zinc/79/05/12/598790512.db2.gz JKXZZJYDYDYNEB-UHFFFAOYSA-N -1 3 380.368 0.701 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000737057785 598790513 /nfs/dbraw/zinc/79/05/13/598790513.db2.gz JKXZZJYDYDYNEB-UHFFFAOYSA-N -1 3 380.368 0.701 20 0 GCADHM COC(=O)NC(C)(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736935400 598791832 /nfs/dbraw/zinc/79/18/32/598791832.db2.gz IRNHEMFNLSRRIR-UHFFFAOYSA-N -1 3 388.432 0.481 20 0 GCADHM COC(=O)NC(C)(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736935400 598791833 /nfs/dbraw/zinc/79/18/33/598791833.db2.gz IRNHEMFNLSRRIR-UHFFFAOYSA-N -1 3 388.432 0.481 20 0 GCADHM CCN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000736510801 598797077 /nfs/dbraw/zinc/79/70/77/598797077.db2.gz KUBJZDIITNVKKP-LBPRGKRZSA-N -1 3 380.474 0.238 20 0 GCADHM CCN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000736510801 598797078 /nfs/dbraw/zinc/79/70/78/598797078.db2.gz KUBJZDIITNVKKP-LBPRGKRZSA-N -1 3 380.474 0.238 20 0 GCADHM C[C@@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736151212 598799547 /nfs/dbraw/zinc/79/95/47/598799547.db2.gz LQZGYAGDVZKRPI-SNVBAGLBSA-N -1 3 393.425 0.562 20 0 GCADHM C[C@@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736151212 598799548 /nfs/dbraw/zinc/79/95/48/598799548.db2.gz LQZGYAGDVZKRPI-SNVBAGLBSA-N -1 3 393.425 0.562 20 0 GCADHM O=C(NC[C@H]1COCCO1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738051612 598800950 /nfs/dbraw/zinc/80/09/50/598800950.db2.gz PBHWGTXLLNCSEG-INIZCTEOSA-N -1 3 388.428 0.835 20 0 GCADHM O=C(NC[C@H]1COCCO1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738051612 598800951 /nfs/dbraw/zinc/80/09/51/598800951.db2.gz PBHWGTXLLNCSEG-INIZCTEOSA-N -1 3 388.428 0.835 20 0 GCADHM CCOC(=O)c1sc(NC(=O)[C@H](C)S(C)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000736605060 598802498 /nfs/dbraw/zinc/80/24/98/598802498.db2.gz CCSRRPXFHDFUCL-ZETCQYMHSA-N -1 3 387.443 0.785 20 0 GCADHM CCOC(=O)c1sc(NC(=O)[C@H](C)S(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000736605060 598802499 /nfs/dbraw/zinc/80/24/99/598802499.db2.gz CCSRRPXFHDFUCL-ZETCQYMHSA-N -1 3 387.443 0.785 20 0 GCADHM CN1C(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)C(=O)C12CCCCC2 ZINC000736844468 598804654 /nfs/dbraw/zinc/80/46/54/598804654.db2.gz BPCBNFKQTHNQKR-UHFFFAOYSA-N -1 3 384.400 0.797 20 0 GCADHM CN1C(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)C(=O)C12CCCCC2 ZINC000736844468 598804656 /nfs/dbraw/zinc/80/46/56/598804656.db2.gz BPCBNFKQTHNQKR-UHFFFAOYSA-N -1 3 384.400 0.797 20 0 GCADHM NC(=O)c1ccc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737761493 598807600 /nfs/dbraw/zinc/80/76/00/598807600.db2.gz ZBBGYVLYWVJNRN-UHFFFAOYSA-N -1 3 375.352 0.799 20 0 GCADHM CCNC(=O)CCCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736575216 598808766 /nfs/dbraw/zinc/80/87/66/598808766.db2.gz ZIQNJECOERGAOW-UHFFFAOYSA-N -1 3 385.472 0.817 20 0 GCADHM O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737815096 598808992 /nfs/dbraw/zinc/80/89/92/598808992.db2.gz RNQGJWCGXODIBI-LLVKDONJSA-N -1 3 385.409 0.939 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736656204 598809773 /nfs/dbraw/zinc/80/97/73/598809773.db2.gz HMLFXRQZSIZGRT-NWDGAFQWSA-N -1 3 381.458 0.916 20 0 GCADHM CNC(=O)CCCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000736870628 598812156 /nfs/dbraw/zinc/81/21/56/598812156.db2.gz KNSRMPFOINTJQE-UHFFFAOYSA-N -1 3 377.474 0.921 20 0 GCADHM CNC(=O)CCCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000736870628 598812158 /nfs/dbraw/zinc/81/21/58/598812158.db2.gz KNSRMPFOINTJQE-UHFFFAOYSA-N -1 3 377.474 0.921 20 0 GCADHM COC(=O)N(C)CCCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736932562 598815884 /nfs/dbraw/zinc/81/58/84/598815884.db2.gz OJBUGJUPSSQJEU-UHFFFAOYSA-N -1 3 388.432 0.389 20 0 GCADHM COC(=O)N(C)CCCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736932562 598815886 /nfs/dbraw/zinc/81/58/86/598815886.db2.gz OJBUGJUPSSQJEU-UHFFFAOYSA-N -1 3 388.432 0.389 20 0 GCADHM C[C@@H]1Oc2c(cccc2C(=O)NCCNc2ncccc2-c2nnn[n-]2)NC1=O ZINC000736304376 598818383 /nfs/dbraw/zinc/81/83/83/598818383.db2.gz VFPKWXSZJIBGON-JTQLQIEISA-N -1 3 394.395 0.823 20 0 GCADHM C[C@@H]1Oc2c(cccc2C(=O)NCCNc2ncccc2-c2nn[n-]n2)NC1=O ZINC000736304376 598818385 /nfs/dbraw/zinc/81/83/85/598818385.db2.gz VFPKWXSZJIBGON-JTQLQIEISA-N -1 3 394.395 0.823 20 0 GCADHM CC[C@H](C)[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)OC ZINC000736667320 598818810 /nfs/dbraw/zinc/81/88/10/598818810.db2.gz NXHCDPFGXWNQLY-HZMBPMFUSA-N -1 3 398.427 0.952 20 0 GCADHM CC[C@H](C)[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)OC ZINC000736667320 598818812 /nfs/dbraw/zinc/81/88/12/598818812.db2.gz NXHCDPFGXWNQLY-HZMBPMFUSA-N -1 3 398.427 0.952 20 0 GCADHM COCCCN(C(=O)c1sccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000736982557 598819139 /nfs/dbraw/zinc/81/91/39/598819139.db2.gz ZPLHDWJKGBAOER-JTQLQIEISA-N -1 3 385.471 0.594 20 0 GCADHM COCCCN(C(=O)c1sccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000736982557 598819140 /nfs/dbraw/zinc/81/91/40/598819140.db2.gz ZPLHDWJKGBAOER-JTQLQIEISA-N -1 3 385.471 0.594 20 0 GCADHM O=C(CN(CCO)CCOCC(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737865942 598819701 /nfs/dbraw/zinc/81/97/01/598819701.db2.gz UJZJUOVNPAIOCX-UHFFFAOYSA-N -1 3 388.350 0.678 20 0 GCADHM O=C(CN(CCO)CCOCC(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737865942 598819702 /nfs/dbraw/zinc/81/97/02/598819702.db2.gz UJZJUOVNPAIOCX-UHFFFAOYSA-N -1 3 388.350 0.678 20 0 GCADHM CCN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000736520815 598819863 /nfs/dbraw/zinc/81/98/63/598819863.db2.gz COBWXBKOOLKWRH-HIFRSBDPSA-N -1 3 397.501 0.752 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736657861 598820280 /nfs/dbraw/zinc/82/02/80/598820280.db2.gz YLMXMSSOBVISBD-LBPRGKRZSA-N -1 3 380.474 0.950 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736657861 598820281 /nfs/dbraw/zinc/82/02/81/598820281.db2.gz YLMXMSSOBVISBD-LBPRGKRZSA-N -1 3 380.474 0.950 20 0 GCADHM NC(=O)N1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737758976 598820438 /nfs/dbraw/zinc/82/04/38/598820438.db2.gz RATBFSIZASMRLR-HNNXBMFYSA-N -1 3 384.444 0.449 20 0 GCADHM COC(=O)N(C)CCCC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736932902 598820461 /nfs/dbraw/zinc/82/04/61/598820461.db2.gz WOVGVMYYLGRDLV-UHFFFAOYSA-N -1 3 387.444 0.994 20 0 GCADHM COC(=O)N(C)CCCC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736932902 598820462 /nfs/dbraw/zinc/82/04/62/598820462.db2.gz WOVGVMYYLGRDLV-UHFFFAOYSA-N -1 3 387.444 0.994 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000822864627 599292736 /nfs/dbraw/zinc/29/27/36/599292736.db2.gz GTJJOMSXLFGKOO-JTQLQIEISA-N -1 3 385.306 0.604 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000822864627 599292739 /nfs/dbraw/zinc/29/27/39/599292739.db2.gz GTJJOMSXLFGKOO-JTQLQIEISA-N -1 3 385.306 0.604 20 0 GCADHM Cc1nc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000737473777 599297004 /nfs/dbraw/zinc/29/70/04/599297004.db2.gz GRDZSINMAXPQOP-ZDUSSCGKSA-N -1 3 382.384 0.652 20 0 GCADHM Cc1nc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000737473777 599297005 /nfs/dbraw/zinc/29/70/05/599297005.db2.gz GRDZSINMAXPQOP-ZDUSSCGKSA-N -1 3 382.384 0.652 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000443030564 599300111 /nfs/dbraw/zinc/30/01/11/599300111.db2.gz YNYDQHXZPIKPMX-NSHDSACASA-N -1 3 398.876 0.615 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000443030564 599300112 /nfs/dbraw/zinc/30/01/12/599300112.db2.gz YNYDQHXZPIKPMX-NSHDSACASA-N -1 3 398.876 0.615 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1-c1nnn[n-]1 ZINC000737399646 599303751 /nfs/dbraw/zinc/30/37/51/599303751.db2.gz NMBZMUNGBWLOQX-UHFFFAOYSA-N -1 3 397.439 0.631 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1-c1nn[n-]n1 ZINC000737399646 599303754 /nfs/dbraw/zinc/30/37/54/599303754.db2.gz NMBZMUNGBWLOQX-UHFFFAOYSA-N -1 3 397.439 0.631 20 0 GCADHM O=C(c1nccn2ccnc12)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823498267 599312531 /nfs/dbraw/zinc/31/25/31/599312531.db2.gz JKWJMTPEBDUTAI-UHFFFAOYSA-N -1 3 389.423 0.867 20 0 GCADHM CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735893642 599315489 /nfs/dbraw/zinc/31/54/89/599315489.db2.gz ZEDWVJPABWNAQJ-NSHDSACASA-N -1 3 398.427 0.952 20 0 GCADHM CC(C)OC(=O)[C@@H](C)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735893642 599315495 /nfs/dbraw/zinc/31/54/95/599315495.db2.gz ZEDWVJPABWNAQJ-NSHDSACASA-N -1 3 398.427 0.952 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000737756129 599316542 /nfs/dbraw/zinc/31/65/42/599316542.db2.gz SKRRBTYRSFWNHW-GFCCVEGCSA-N -1 3 395.427 0.507 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000737756823 599317135 /nfs/dbraw/zinc/31/71/35/599317135.db2.gz ZUDYXMOCRIDZGY-GFCCVEGCSA-N -1 3 396.411 0.474 20 0 GCADHM NC(=O)c1nccnc1C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737766390 599321495 /nfs/dbraw/zinc/32/14/95/599321495.db2.gz ZXMXRXBVAWSUEA-UHFFFAOYSA-N -1 3 393.411 0.108 20 0 GCADHM NC(=O)c1nccnc1C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737766390 599321498 /nfs/dbraw/zinc/32/14/98/599321498.db2.gz ZXMXRXBVAWSUEA-UHFFFAOYSA-N -1 3 393.411 0.108 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821663730 599322504 /nfs/dbraw/zinc/32/25/04/599322504.db2.gz LKVCYEORUFAHQM-SNVBAGLBSA-N -1 3 391.413 0.276 20 0 GCADHM O=S(=O)([C@@H]1CCOC1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738316863 599323609 /nfs/dbraw/zinc/32/36/09/599323609.db2.gz FWKUXXJCECHINN-OAHLLOKOSA-N -1 3 378.458 0.103 20 0 GCADHM O=S(=O)([C@@H]1CCOC1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738316863 599323611 /nfs/dbraw/zinc/32/36/11/599323611.db2.gz FWKUXXJCECHINN-OAHLLOKOSA-N -1 3 378.458 0.103 20 0 GCADHM O=S(=O)([C@H]1CCOC1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738320850 599324772 /nfs/dbraw/zinc/32/47/72/599324772.db2.gz YOKAXQZHHNRERU-NSHDSACASA-N -1 3 382.421 0.247 20 0 GCADHM O=S(=O)([C@H]1CCOC1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738320850 599324775 /nfs/dbraw/zinc/32/47/75/599324775.db2.gz YOKAXQZHHNRERU-NSHDSACASA-N -1 3 382.421 0.247 20 0 GCADHM O=S(=O)([C@@H]1CCOC1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738319259 599324853 /nfs/dbraw/zinc/32/48/53/599324853.db2.gz UQRUWBTZMYGHCW-GFCCVEGCSA-N -1 3 382.421 0.247 20 0 GCADHM CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000821631175 599336122 /nfs/dbraw/zinc/33/61/22/599336122.db2.gz AJVPVGAWHOUEBG-UHFFFAOYSA-N -1 3 384.849 0.667 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823566468 599336519 /nfs/dbraw/zinc/33/65/19/599336519.db2.gz IETZTMFZOSFMAX-UHFFFAOYSA-N -1 3 389.441 0.502 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823566468 599336521 /nfs/dbraw/zinc/33/65/21/599336521.db2.gz IETZTMFZOSFMAX-UHFFFAOYSA-N -1 3 389.441 0.502 20 0 GCADHM CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000819802663 599337254 /nfs/dbraw/zinc/33/72/54/599337254.db2.gz HBXILMDPGZDLGQ-NSHDSACASA-N -1 3 384.849 0.809 20 0 GCADHM CCOC(=O)N1CCC(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821334098 599337607 /nfs/dbraw/zinc/33/76/07/599337607.db2.gz IKIZWIGYZYGVEU-UHFFFAOYSA-N -1 3 394.457 0.907 20 0 GCADHM CCOC(=O)N1CCC(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821334098 599337609 /nfs/dbraw/zinc/33/76/09/599337609.db2.gz IKIZWIGYZYGVEU-UHFFFAOYSA-N -1 3 394.457 0.907 20 0 GCADHM CSc1nn(C)c(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C(N)=O ZINC000737189150 599339854 /nfs/dbraw/zinc/33/98/54/599339854.db2.gz JYFIHVOEUAUGRV-UHFFFAOYSA-N -1 3 388.413 0.439 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000737924600 599343369 /nfs/dbraw/zinc/34/33/69/599343369.db2.gz GVLAPFJLHGNVAO-ZDUSSCGKSA-N -1 3 385.405 0.890 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000737924600 599343372 /nfs/dbraw/zinc/34/33/72/599343372.db2.gz GVLAPFJLHGNVAO-ZDUSSCGKSA-N -1 3 385.405 0.890 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCC[C@@H]1Cn1cncn1 ZINC000823600937 599345658 /nfs/dbraw/zinc/34/56/58/599345658.db2.gz MMSKZADKOBQOQF-LLVKDONJSA-N -1 3 394.848 0.965 20 0 GCADHM CN([C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821592429 599350294 /nfs/dbraw/zinc/35/02/94/599350294.db2.gz FOKBNIFYCUCPIC-KGLIPLIRSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821592429 599350295 /nfs/dbraw/zinc/35/02/95/599350295.db2.gz FOKBNIFYCUCPIC-KGLIPLIRSA-N -1 3 399.498 0.843 20 0 GCADHM C[C@H]1CN(S(=O)(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000820767249 599355431 /nfs/dbraw/zinc/35/54/31/599355431.db2.gz GVJLEXPXCYOHRW-RYUDHWBXSA-N -1 3 382.446 0.189 20 0 GCADHM COC(=O)C1CCN(S(=O)(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821656200 599364694 /nfs/dbraw/zinc/36/46/94/599364694.db2.gz ZPCHEXFCZMBJHJ-UHFFFAOYSA-N -1 3 398.420 0.225 20 0 GCADHM COC(=O)C1CCN(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821656200 599364697 /nfs/dbraw/zinc/36/46/97/599364697.db2.gz ZPCHEXFCZMBJHJ-UHFFFAOYSA-N -1 3 398.420 0.225 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1=O ZINC000443016147 599372901 /nfs/dbraw/zinc/37/29/01/599372901.db2.gz VBUFRSRXRIDGCS-ZDMBXUJBSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1=O ZINC000443016147 599372903 /nfs/dbraw/zinc/37/29/03/599372903.db2.gz VBUFRSRXRIDGCS-ZDMBXUJBSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000820678317 599373780 /nfs/dbraw/zinc/37/37/80/599373780.db2.gz UZLVVWMCANMMRJ-SWHYSGLUSA-N -1 3 376.442 0.295 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000820678317 599373783 /nfs/dbraw/zinc/37/37/83/599373783.db2.gz UZLVVWMCANMMRJ-SWHYSGLUSA-N -1 3 376.442 0.295 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1=O ZINC000820674876 599374267 /nfs/dbraw/zinc/37/42/67/599374267.db2.gz GWLVCJFXZPVKKG-ZDMBXUJBSA-N -1 3 380.405 0.293 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000820674876 599374270 /nfs/dbraw/zinc/37/42/70/599374270.db2.gz GWLVCJFXZPVKKG-ZDMBXUJBSA-N -1 3 380.405 0.293 20 0 GCADHM CCN1CCN(C2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)C1=O ZINC000736568928 599384597 /nfs/dbraw/zinc/38/45/97/599384597.db2.gz FWEYRWADCLUEKI-UHFFFAOYSA-N -1 3 399.455 0.994 20 0 GCADHM CCN1CCN(C2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)C1=O ZINC000736568928 599384600 /nfs/dbraw/zinc/38/46/00/599384600.db2.gz FWEYRWADCLUEKI-UHFFFAOYSA-N -1 3 399.455 0.994 20 0 GCADHM C[C@H](Oc1ccc(OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1)C(N)=O ZINC000820536019 599385510 /nfs/dbraw/zinc/38/55/10/599385510.db2.gz RMDAUZLAHCQPMZ-LBPRGKRZSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@H](Oc1ccc(OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1)C(N)=O ZINC000820536019 599385513 /nfs/dbraw/zinc/38/55/13/599385513.db2.gz RMDAUZLAHCQPMZ-LBPRGKRZSA-N -1 3 396.407 0.815 20 0 GCADHM NC(=O)NCCNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737755678 599385619 /nfs/dbraw/zinc/38/56/19/599385619.db2.gz PFFNIQOCURWXEM-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM NC(=O)NCCNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737755678 599385621 /nfs/dbraw/zinc/38/56/21/599385621.db2.gz PFFNIQOCURWXEM-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737769915 599385728 /nfs/dbraw/zinc/38/57/28/599385728.db2.gz QTWHVRKVBXUCAN-UHFFFAOYSA-N -1 3 384.421 0.646 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737769915 599385731 /nfs/dbraw/zinc/38/57/31/599385731.db2.gz QTWHVRKVBXUCAN-UHFFFAOYSA-N -1 3 384.421 0.646 20 0 GCADHM NC(=O)NCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000737754557 599385809 /nfs/dbraw/zinc/38/58/09/599385809.db2.gz GHPNPYWGJAWTPB-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM NC(=O)NCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000737754557 599385812 /nfs/dbraw/zinc/38/58/12/599385812.db2.gz GHPNPYWGJAWTPB-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM NC(=CC(=O)N1CCCCC1)NOCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822890486 599388177 /nfs/dbraw/zinc/38/81/77/599388177.db2.gz VVSCUEQVYDHPEF-UHFFFAOYSA-N -1 3 386.416 0.706 20 0 GCADHM NC(=CC(=O)N1CCCCC1)NOCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822890486 599388179 /nfs/dbraw/zinc/38/81/79/599388179.db2.gz VVSCUEQVYDHPEF-UHFFFAOYSA-N -1 3 386.416 0.706 20 0 GCADHM COC(=O)[C@](C)(NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CC1 ZINC000736889604 599390543 /nfs/dbraw/zinc/39/05/43/599390543.db2.gz UHPHSBMGUDUXRV-GOSISDBHSA-N -1 3 396.411 0.706 20 0 GCADHM COC(=O)[C@](C)(NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CC1 ZINC000736889604 599390549 /nfs/dbraw/zinc/39/05/49/599390549.db2.gz UHPHSBMGUDUXRV-GOSISDBHSA-N -1 3 396.411 0.706 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000736185623 599390772 /nfs/dbraw/zinc/39/07/72/599390772.db2.gz VHKKFCLQUFJIMM-WOPDTQHZSA-N -1 3 379.442 0.668 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000736185623 599390774 /nfs/dbraw/zinc/39/07/74/599390774.db2.gz VHKKFCLQUFJIMM-WOPDTQHZSA-N -1 3 379.442 0.668 20 0 GCADHM CC(C)Oc1ccc(NCC(=O)N[C@@H](C)C(=O)N(C)C)cc1-c1nnn[n-]1 ZINC000820173331 607372524 /nfs/dbraw/zinc/37/25/24/607372524.db2.gz AGSUBIRKYJGTRF-NSHDSACASA-N -1 3 375.433 0.659 20 0 GCADHM CC(C)Oc1ccc(NCC(=O)N[C@@H](C)C(=O)N(C)C)cc1-c1nn[n-]n1 ZINC000820173331 607372527 /nfs/dbraw/zinc/37/25/27/607372527.db2.gz AGSUBIRKYJGTRF-NSHDSACASA-N -1 3 375.433 0.659 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000737025615 599393989 /nfs/dbraw/zinc/39/39/89/599393989.db2.gz XWOSVDLLZDUWCD-QWRGUYRKSA-N -1 3 395.441 0.288 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000737025615 599393994 /nfs/dbraw/zinc/39/39/94/599393994.db2.gz XWOSVDLLZDUWCD-QWRGUYRKSA-N -1 3 395.441 0.288 20 0 GCADHM COCCNC(=O)CN1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000737005731 599399389 /nfs/dbraw/zinc/39/93/89/599399389.db2.gz FBUKEAIHEASWPI-UHFFFAOYSA-N -1 3 396.455 0.300 20 0 GCADHM COCCNC(=O)CN1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000737005731 599399392 /nfs/dbraw/zinc/39/93/92/599399392.db2.gz FBUKEAIHEASWPI-UHFFFAOYSA-N -1 3 396.455 0.300 20 0 GCADHM COCCNC(=O)CN1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000737005746 599400064 /nfs/dbraw/zinc/40/00/64/599400064.db2.gz FHJJYQSYBRCLFH-UHFFFAOYSA-N -1 3 379.852 0.405 20 0 GCADHM COCCNC(=O)CN1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000737005746 599400066 /nfs/dbraw/zinc/40/00/66/599400066.db2.gz FHJJYQSYBRCLFH-UHFFFAOYSA-N -1 3 379.852 0.405 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3cccc(Cl)c3-c3nnn[n-]3)CC2)C1 ZINC000823614731 599408366 /nfs/dbraw/zinc/40/83/66/599408366.db2.gz RVXRPNXCAARXID-NSHDSACASA-N -1 3 382.877 0.829 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3cccc(Cl)c3-c3nn[n-]n3)CC2)C1 ZINC000823614731 599408369 /nfs/dbraw/zinc/40/83/69/599408369.db2.gz RVXRPNXCAARXID-NSHDSACASA-N -1 3 382.877 0.829 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000738019234 599412483 /nfs/dbraw/zinc/41/24/83/599412483.db2.gz HSLUPHYXLZNATC-UHFFFAOYSA-N -1 3 375.820 0.447 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000738019234 599412486 /nfs/dbraw/zinc/41/24/86/599412486.db2.gz HSLUPHYXLZNATC-UHFFFAOYSA-N -1 3 375.820 0.447 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822679788 599413198 /nfs/dbraw/zinc/41/31/98/599413198.db2.gz IIEBNUHXCSJESL-OAHLLOKOSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822679788 599413200 /nfs/dbraw/zinc/41/32/00/599413200.db2.gz IIEBNUHXCSJESL-OAHLLOKOSA-N -1 3 395.427 0.595 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821441394 599420411 /nfs/dbraw/zinc/42/04/11/599420411.db2.gz LEPBMQGUGZGZIL-GFCCVEGCSA-N -1 3 395.489 0.899 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821441394 599420413 /nfs/dbraw/zinc/42/04/13/599420413.db2.gz LEPBMQGUGZGZIL-GFCCVEGCSA-N -1 3 395.489 0.899 20 0 GCADHM C[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357312 599423952 /nfs/dbraw/zinc/42/39/52/599423952.db2.gz FXTASMYAQFXFSD-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357312 599423955 /nfs/dbraw/zinc/42/39/55/599423955.db2.gz FXTASMYAQFXFSD-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@@H](NC(=O)NCCCN1CCCS1(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820364916 599430328 /nfs/dbraw/zinc/43/03/28/599430328.db2.gz GLXVKKNAPUOZAU-GFCCVEGCSA-N -1 3 393.473 0.653 20 0 GCADHM C[C@@H](NC(=O)NCCCN1CCCS1(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820364916 599430330 /nfs/dbraw/zinc/43/03/30/599430330.db2.gz GLXVKKNAPUOZAU-GFCCVEGCSA-N -1 3 393.473 0.653 20 0 GCADHM C[C@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820368179 599435846 /nfs/dbraw/zinc/43/58/46/599435846.db2.gz XJVXOEIZTLIXSW-NSHDSACASA-N -1 3 395.489 0.945 20 0 GCADHM C[C@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820368179 599435848 /nfs/dbraw/zinc/43/58/48/599435848.db2.gz XJVXOEIZTLIXSW-NSHDSACASA-N -1 3 395.489 0.945 20 0 GCADHM CC(C)(CNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)NS(C)(=O)=O ZINC000819981481 599437910 /nfs/dbraw/zinc/43/79/10/599437910.db2.gz XADJJRFSFQOKGT-UHFFFAOYSA-N -1 3 385.425 0.133 20 0 GCADHM CC(C)(CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)NS(C)(=O)=O ZINC000819981481 599437912 /nfs/dbraw/zinc/43/79/12/599437912.db2.gz XADJJRFSFQOKGT-UHFFFAOYSA-N -1 3 385.425 0.133 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823210572 599439953 /nfs/dbraw/zinc/43/99/53/599439953.db2.gz BNOJQVBWHAXJMI-CYBMUJFWSA-N -1 3 376.417 0.598 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736227045 599446423 /nfs/dbraw/zinc/44/64/23/599446423.db2.gz BWDBBTCIQUTSLM-RYUDHWBXSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736227045 599446424 /nfs/dbraw/zinc/44/64/24/599446424.db2.gz BWDBBTCIQUTSLM-RYUDHWBXSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736231507 599447553 /nfs/dbraw/zinc/44/75/53/599447553.db2.gz XQINOUGEGKNLAM-VXGBXAGGSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736231507 599447556 /nfs/dbraw/zinc/44/75/56/599447556.db2.gz XQINOUGEGKNLAM-VXGBXAGGSA-N -1 3 378.458 0.703 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOCCS(C)(=O)=O ZINC000821608662 599448070 /nfs/dbraw/zinc/44/80/70/599448070.db2.gz PJEPDDZISZQWIN-UHFFFAOYSA-N -1 3 382.446 0.069 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOCCS(C)(=O)=O ZINC000821608662 599448072 /nfs/dbraw/zinc/44/80/72/599448072.db2.gz PJEPDDZISZQWIN-UHFFFAOYSA-N -1 3 382.446 0.069 20 0 GCADHM Cn1cc([C@H](O)CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822670006 599448806 /nfs/dbraw/zinc/44/88/06/599448806.db2.gz XWHPMVHXFPDFEF-JKSUJKDBSA-N -1 3 382.428 0.419 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736229620 599451267 /nfs/dbraw/zinc/45/12/67/599451267.db2.gz OQROPTDNJPMFFS-GHMZBOCLSA-N -1 3 385.471 0.204 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736229620 599451269 /nfs/dbraw/zinc/45/12/69/599451269.db2.gz OQROPTDNJPMFFS-GHMZBOCLSA-N -1 3 385.471 0.204 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736609831 599451517 /nfs/dbraw/zinc/45/15/17/599451517.db2.gz UCJTYDNHYCAEEE-HNNXBMFYSA-N -1 3 375.433 0.414 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821597625 599451920 /nfs/dbraw/zinc/45/19/20/599451920.db2.gz BGMIXFVPBJDETA-GFCCVEGCSA-N -1 3 394.457 0.322 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000737297900 599452431 /nfs/dbraw/zinc/45/24/31/599452431.db2.gz FCEKTSVXQKWWRI-QWRGUYRKSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000737297900 599452433 /nfs/dbraw/zinc/45/24/33/599452433.db2.gz FCEKTSVXQKWWRI-QWRGUYRKSA-N -1 3 385.471 0.371 20 0 GCADHM NC(=O)[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000822851700 599455067 /nfs/dbraw/zinc/45/50/67/599455067.db2.gz ZDMLFRHYTHPZSF-OAHLLOKOSA-N -1 3 381.396 0.771 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)S(C)(=O)=O ZINC000819883714 599462478 /nfs/dbraw/zinc/46/24/78/599462478.db2.gz LDCGDULSASGNIE-VHSXEESVSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)S(C)(=O)=O ZINC000819883714 599462479 /nfs/dbraw/zinc/46/24/79/599462479.db2.gz LDCGDULSASGNIE-VHSXEESVSA-N -1 3 384.437 0.969 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCN(c2cnccn2)CC1 ZINC000823233859 599467370 /nfs/dbraw/zinc/46/73/70/599467370.db2.gz JSGUBRNXTNCHKW-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCN(c2cnccn2)CC1 ZINC000823233859 599467372 /nfs/dbraw/zinc/46/73/72/599467372.db2.gz JSGUBRNXTNCHKW-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM COCCNC(=O)CN1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000821691564 599467403 /nfs/dbraw/zinc/46/74/03/599467403.db2.gz YWQVUYGNEQTIOX-UHFFFAOYSA-N -1 3 379.852 0.405 20 0 GCADHM COCCNC(=O)CN1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000821691564 599467404 /nfs/dbraw/zinc/46/74/04/599467404.db2.gz YWQVUYGNEQTIOX-UHFFFAOYSA-N -1 3 379.852 0.405 20 0 GCADHM O=C(CNC(=O)c1ccc(F)cc1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823005187 599469523 /nfs/dbraw/zinc/46/95/23/599469523.db2.gz GEPODZPITYYXEG-UHFFFAOYSA-N -1 3 384.371 0.931 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C ZINC000737022725 599470519 /nfs/dbraw/zinc/47/05/19/599470519.db2.gz AKMCNXXKBNGBRU-KDHKCVMQSA-N -1 3 379.442 0.622 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C ZINC000737022725 599470522 /nfs/dbraw/zinc/47/05/22/599470522.db2.gz AKMCNXXKBNGBRU-KDHKCVMQSA-N -1 3 379.442 0.622 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000737022721 599470614 /nfs/dbraw/zinc/47/06/14/599470614.db2.gz AKMCNXXKBNGBRU-CZFJJDJESA-N -1 3 379.442 0.622 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000737022721 599470617 /nfs/dbraw/zinc/47/06/17/599470617.db2.gz AKMCNXXKBNGBRU-CZFJJDJESA-N -1 3 379.442 0.622 20 0 GCADHM CCS(=O)(=O)N(C)CCCNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000821440663 599473621 /nfs/dbraw/zinc/47/36/21/599473621.db2.gz AITDYBNGLNOBFS-UHFFFAOYSA-N -1 3 375.458 0.920 20 0 GCADHM CCS(=O)(=O)N(C)CCCNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000821440663 599473622 /nfs/dbraw/zinc/47/36/22/599473622.db2.gz AITDYBNGLNOBFS-UHFFFAOYSA-N -1 3 375.458 0.920 20 0 GCADHM C[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820359986 599473854 /nfs/dbraw/zinc/47/38/54/599473854.db2.gz WIWOPVHYVMCFCL-NHYWBVRUSA-N -1 3 395.427 0.766 20 0 GCADHM C[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820359986 599473855 /nfs/dbraw/zinc/47/38/55/599473855.db2.gz WIWOPVHYVMCFCL-NHYWBVRUSA-N -1 3 395.427 0.766 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821636689 599481592 /nfs/dbraw/zinc/48/15/92/599481592.db2.gz ZAOOLXLWVOCVGN-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821636689 599481594 /nfs/dbraw/zinc/48/15/94/599481594.db2.gz ZAOOLXLWVOCVGN-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM O=S(=O)(c1c[nH]cn1)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738347442 599481777 /nfs/dbraw/zinc/48/17/77/599481777.db2.gz HRYFOFXSSFQQKA-UHFFFAOYSA-N -1 3 388.457 0.486 20 0 GCADHM C[C@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341279 599482073 /nfs/dbraw/zinc/48/20/73/599482073.db2.gz PHHAIRRPFVVWBH-GWCFXTLKSA-N -1 3 379.446 0.261 20 0 GCADHM C[C@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341279 599482075 /nfs/dbraw/zinc/48/20/75/599482075.db2.gz 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GCADHM NC(=O)[C@@H](OC(=O)c1cccc(-n2cccn2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737745994 599500082 /nfs/dbraw/zinc/50/00/82/599500082.db2.gz YNLXXOICFWJASN-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736225651 599503478 /nfs/dbraw/zinc/50/34/78/599503478.db2.gz QTQGLHWDECQRIP-FEEKEVSISA-N -1 3 378.462 0.225 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736225651 599503481 /nfs/dbraw/zinc/50/34/81/599503481.db2.gz QTQGLHWDECQRIP-FEEKEVSISA-N -1 3 378.462 0.225 20 0 GCADHM C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322677 599503891 /nfs/dbraw/zinc/50/38/91/599503891.db2.gz UCFVPSITNTUPHU-NSHDSACASA-N -1 3 399.436 0.542 20 0 GCADHM C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820322677 599503893 /nfs/dbraw/zinc/50/38/93/599503893.db2.gz UCFVPSITNTUPHU-NSHDSACASA-N -1 3 399.436 0.542 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 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3 381.396 0.645 20 0 GCADHM COC(=O)CCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736913873 599510767 /nfs/dbraw/zinc/51/07/67/599510767.db2.gz ZCDDHPCQVFKWEQ-UHFFFAOYSA-N -1 3 398.326 0.476 20 0 GCADHM COC(=O)CCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736913873 599510769 /nfs/dbraw/zinc/51/07/69/599510769.db2.gz ZCDDHPCQVFKWEQ-UHFFFAOYSA-N -1 3 398.326 0.476 20 0 GCADHM O=C(NCC1(O)CCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738040282 599511675 /nfs/dbraw/zinc/51/16/75/599511675.db2.gz RWHBKDVJSJOIKB-UHFFFAOYSA-N -1 3 382.327 0.438 20 0 GCADHM O=C(NCC1(O)CCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738040282 599511677 /nfs/dbraw/zinc/51/16/77/599511677.db2.gz RWHBKDVJSJOIKB-UHFFFAOYSA-N -1 3 382.327 0.438 20 0 GCADHM CC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736315363 599512885 /nfs/dbraw/zinc/51/28/85/599512885.db2.gz ISPQXIGQFQIUHC-OAHLLOKOSA-N -1 3 384.343 0.684 20 0 GCADHM CC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736315363 599512887 /nfs/dbraw/zinc/51/28/87/599512887.db2.gz ISPQXIGQFQIUHC-OAHLLOKOSA-N -1 3 384.343 0.684 20 0 GCADHM CC(C)(O)CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000735679851 599513159 /nfs/dbraw/zinc/51/31/59/599513159.db2.gz PIHDWIZXVSNKNM-UHFFFAOYSA-N -1 3 397.395 0.880 20 0 GCADHM O=C(NCCn1cnc2ccccc21)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738094460 599513191 /nfs/dbraw/zinc/51/31/91/599513191.db2.gz IFRKEYOYHUQXJC-UHFFFAOYSA-N -1 3 376.380 0.971 20 0 GCADHM O=C(NCCn1cnc2ccccc21)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738094460 599513194 /nfs/dbraw/zinc/51/31/94/599513194.db2.gz IFRKEYOYHUQXJC-UHFFFAOYSA-N -1 3 376.380 0.971 20 0 GCADHM CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736330642 599513209 /nfs/dbraw/zinc/51/32/09/599513209.db2.gz NCFGUAPTMDRXMO-DYZYQPBXSA-N -1 3 376.417 0.727 20 0 GCADHM CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736330642 599513213 /nfs/dbraw/zinc/51/32/13/599513213.db2.gz NCFGUAPTMDRXMO-DYZYQPBXSA-N -1 3 376.417 0.727 20 0 GCADHM O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738122972 599514901 /nfs/dbraw/zinc/51/49/01/599514901.db2.gz BGWKQASXJLLEMO-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738122972 599514902 /nfs/dbraw/zinc/51/49/02/599514902.db2.gz BGWKQASXJLLEMO-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM Cc1noc(CCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000737535797 599515017 /nfs/dbraw/zinc/51/50/17/599515017.db2.gz ZFEXKGHKPYUGAU-UHFFFAOYSA-N -1 3 376.764 0.509 20 0 GCADHM Cc1noc(CCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000737535797 599515018 /nfs/dbraw/zinc/51/50/18/599515018.db2.gz ZFEXKGHKPYUGAU-UHFFFAOYSA-N -1 3 376.764 0.509 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(=O)Nc1cccnc1 ZINC000737288043 599515072 /nfs/dbraw/zinc/51/50/72/599515072.db2.gz HIOXUWGWWZPQSU-UHFFFAOYSA-N -1 3 380.368 0.264 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(=O)Nc1cccnc1 ZINC000737288043 599515074 /nfs/dbraw/zinc/51/50/74/599515074.db2.gz HIOXUWGWWZPQSU-UHFFFAOYSA-N -1 3 380.368 0.264 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736224821 599515572 /nfs/dbraw/zinc/51/55/72/599515572.db2.gz NRDBZGXZQQISNM-IFMBPYNJSA-N -1 3 380.405 0.312 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736224821 599515575 /nfs/dbraw/zinc/51/55/75/599515575.db2.gz NRDBZGXZQQISNM-IFMBPYNJSA-N -1 3 380.405 0.312 20 0 GCADHM O=C(NC[C@@H](O)C1CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738039181 599516852 /nfs/dbraw/zinc/51/68/52/599516852.db2.gz MESIUZSEVKRTLG-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(NC[C@@H](O)C1CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738039181 599516854 /nfs/dbraw/zinc/51/68/54/599516854.db2.gz MESIUZSEVKRTLG-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(NC[C@H](O)C1CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738039182 599517115 /nfs/dbraw/zinc/51/71/15/599517115.db2.gz MESIUZSEVKRTLG-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(NC[C@H](O)C1CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738039182 599517117 /nfs/dbraw/zinc/51/71/17/599517117.db2.gz MESIUZSEVKRTLG-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(NCC[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738056862 599517635 /nfs/dbraw/zinc/51/76/35/599517635.db2.gz VKRHMCLZDKPPPM-SECBINFHSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(NCC[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738056862 599517637 /nfs/dbraw/zinc/51/76/37/599517637.db2.gz VKRHMCLZDKPPPM-SECBINFHSA-N -1 3 392.725 0.888 20 0 GCADHM C[C@H]([C@H](C)Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000820456070 599528034 /nfs/dbraw/zinc/52/80/34/599528034.db2.gz PKQVTSVEYUDBIT-WDEREUQCSA-N -1 3 381.462 0.035 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(N3CCCC3=O)CC2)c(-c2nnn[n-]2)c1 ZINC000822895889 599529514 /nfs/dbraw/zinc/52/95/14/599529514.db2.gz ZSZZSUUXEBHBDK-UHFFFAOYSA-N -1 3 391.457 0.105 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(N3CCCC3=O)CC2)c(-c2nn[n-]n2)c1 ZINC000822895889 599529517 /nfs/dbraw/zinc/52/95/17/599529517.db2.gz ZSZZSUUXEBHBDK-UHFFFAOYSA-N -1 3 391.457 0.105 20 0 GCADHM C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820328111 599531612 /nfs/dbraw/zinc/53/16/12/599531612.db2.gz MINFIWAZVQSGJK-NSHDSACASA-N -1 3 383.412 0.909 20 0 GCADHM C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820328111 599531614 /nfs/dbraw/zinc/53/16/14/599531614.db2.gz MINFIWAZVQSGJK-NSHDSACASA-N -1 3 383.412 0.909 20 0 GCADHM C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820326995 599538827 /nfs/dbraw/zinc/53/88/27/599538827.db2.gz CTPGKYWQSRYJHK-XTZNXHDOSA-N -1 3 383.412 0.764 20 0 GCADHM C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820326995 599538829 /nfs/dbraw/zinc/53/88/29/599538829.db2.gz CTPGKYWQSRYJHK-XTZNXHDOSA-N -1 3 383.412 0.764 20 0 GCADHM CCOC(=O)c1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1C ZINC000821337211 599546154 /nfs/dbraw/zinc/54/61/54/599546154.db2.gz CYMUXIWQADRMAY-UHFFFAOYSA-N -1 3 397.395 0.750 20 0 GCADHM CCOC(=O)c1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1C ZINC000821337211 599546156 /nfs/dbraw/zinc/54/61/56/599546156.db2.gz CYMUXIWQADRMAY-UHFFFAOYSA-N -1 3 397.395 0.750 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCOCCS(C)(=O)=O ZINC000819975968 599549417 /nfs/dbraw/zinc/54/94/17/599549417.db2.gz GKJITLOCATVRRR-UHFFFAOYSA-N -1 3 399.477 0.606 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCOCCS(C)(=O)=O ZINC000819975968 599549418 /nfs/dbraw/zinc/54/94/18/599549418.db2.gz GKJITLOCATVRRR-UHFFFAOYSA-N -1 3 399.477 0.606 20 0 GCADHM NS(=O)(=O)c1ccc(NCCC(=O)Nc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000822899564 599555966 /nfs/dbraw/zinc/55/59/66/599555966.db2.gz KPTXWUBVARTOHV-UHFFFAOYSA-N -1 3 387.425 0.955 20 0 GCADHM NS(=O)(=O)c1ccc(NCCC(=O)Nc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000822899564 599555968 /nfs/dbraw/zinc/55/59/68/599555968.db2.gz KPTXWUBVARTOHV-UHFFFAOYSA-N -1 3 387.425 0.955 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821575477 599559730 /nfs/dbraw/zinc/55/97/30/599559730.db2.gz CWCNYLDVXGMMDX-WDEREUQCSA-N -1 3 393.473 0.573 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821575477 599559733 /nfs/dbraw/zinc/55/97/33/599559733.db2.gz CWCNYLDVXGMMDX-WDEREUQCSA-N -1 3 393.473 0.573 20 0 GCADHM CN1CC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1=O ZINC000736857865 599560588 /nfs/dbraw/zinc/56/05/88/599560588.db2.gz UXFPBVHETIURIN-CQSZACIVSA-N -1 3 382.380 0.999 20 0 GCADHM CN(C)C(=O)CN1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000821575982 599561841 /nfs/dbraw/zinc/56/18/41/599561841.db2.gz XIORQPMMKKNJSI-UHFFFAOYSA-N -1 3 397.443 0.123 20 0 GCADHM CN(C)C(=O)CN1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000821575982 599561844 /nfs/dbraw/zinc/56/18/44/599561844.db2.gz XIORQPMMKKNJSI-UHFFFAOYSA-N -1 3 397.443 0.123 20 0 GCADHM CN(CC(=O)N1CCOCC1)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821592679 599562562 /nfs/dbraw/zinc/56/25/62/599562562.db2.gz PJPYISFYNSOSOS-UHFFFAOYSA-N -1 3 384.400 0.207 20 0 GCADHM CN(CC(=O)N1CCOCC1)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821592679 599562565 /nfs/dbraw/zinc/56/25/65/599562565.db2.gz PJPYISFYNSOSOS-UHFFFAOYSA-N -1 3 384.400 0.207 20 0 GCADHM COc1ccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000737065372 599562846 /nfs/dbraw/zinc/56/28/46/599562846.db2.gz DQEQNRQNYHZQSJ-UHFFFAOYSA-N -1 3 380.412 0.623 20 0 GCADHM CC(C)N1C[C@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735876261 599566437 /nfs/dbraw/zinc/56/64/37/599566437.db2.gz YCZREVXQCRKNOP-ZBFHGGJFSA-N -1 3 383.456 0.961 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1CCC[C@H](O)C1 ZINC000736988950 599567873 /nfs/dbraw/zinc/56/78/73/599567873.db2.gz YOFXPJSOPZWVGM-AWEZNQCLSA-N -1 3 391.476 0.717 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN1CCC[C@H](O)C1 ZINC000736988950 599567874 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0.478 20 0 GCADHM CSC[C@@](C)(O)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737182721 599579354 /nfs/dbraw/zinc/57/93/54/599579354.db2.gz ZWNKEHHBDGWJIJ-INIZCTEOSA-N -1 3 388.457 0.478 20 0 GCADHM CCOC(=O)CNC(=O)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821330855 607385279 /nfs/dbraw/zinc/38/52/79/607385279.db2.gz VNAVOLDEXWGUAE-UHFFFAOYSA-N -1 3 376.392 0.902 20 0 GCADHM CCOC(=O)CNC(=O)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821330855 607385280 /nfs/dbraw/zinc/38/52/80/607385280.db2.gz VNAVOLDEXWGUAE-UHFFFAOYSA-N -1 3 376.392 0.902 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCS(=O)(=O)[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737550713 599586295 /nfs/dbraw/zinc/58/62/95/599586295.db2.gz BWCGQIQLJRCMGI-PSASIEDQSA-N -1 3 382.446 0.522 20 0 GCADHM O=C1NCCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000738315996 599587723 /nfs/dbraw/zinc/58/77/23/599587723.db2.gz OEOZCNGWYYLAHW-AEFFLSMTSA-N -1 3 394.435 0.780 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)[C@@H]1CCN(C)C1=O ZINC000735569053 599588199 /nfs/dbraw/zinc/58/81/99/599588199.db2.gz CUYFVUZSTDIXHY-GXSJLCMTSA-N -1 3 389.485 0.906 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)[C@@H]1CCN(C)C1=O ZINC000735569053 599588200 /nfs/dbraw/zinc/58/82/00/599588200.db2.gz CUYFVUZSTDIXHY-GXSJLCMTSA-N -1 3 389.485 0.906 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCOCCS(C)(=O)=O ZINC000822336894 599591072 /nfs/dbraw/zinc/59/10/72/599591072.db2.gz STSNMSFHXSBQHK-UHFFFAOYSA-N -1 3 376.442 0.618 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCOCCS(C)(=O)=O ZINC000822336894 599591074 /nfs/dbraw/zinc/59/10/74/599591074.db2.gz STSNMSFHXSBQHK-UHFFFAOYSA-N -1 3 376.442 0.618 20 0 GCADHM COC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821657530 607385835 /nfs/dbraw/zinc/38/58/35/607385835.db2.gz PIXPRRRZRDHLID-LRDDRELGSA-N -1 3 394.439 0.705 20 0 GCADHM COC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821657530 607385837 /nfs/dbraw/zinc/38/58/37/607385837.db2.gz PIXPRRRZRDHLID-LRDDRELGSA-N -1 3 394.439 0.705 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCOC[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000822319204 599598376 /nfs/dbraw/zinc/59/83/76/599598376.db2.gz MRJNVYWPAHCAFJ-ZDUSSCGKSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCOC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000822319204 599598378 /nfs/dbraw/zinc/59/83/78/599598378.db2.gz MRJNVYWPAHCAFJ-ZDUSSCGKSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3nc(C)ncc3C2)c1-c1nnn[n-]1 ZINC000822472156 599598556 /nfs/dbraw/zinc/59/85/56/599598556.db2.gz PWFQATJGUUNFMG-CYBMUJFWSA-N -1 3 392.423 0.886 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCc3nc(C)ncc3C2)c1-c1nn[n-]n1 ZINC000822472156 599598558 /nfs/dbraw/zinc/59/85/58/599598558.db2.gz PWFQATJGUUNFMG-CYBMUJFWSA-N -1 3 392.423 0.886 20 0 GCADHM COc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)cc1 ZINC000821782787 599599637 /nfs/dbraw/zinc/59/96/37/599599637.db2.gz NUZZIXZDWKCGFM-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000821782787 599599638 /nfs/dbraw/zinc/59/96/38/599599638.db2.gz NUZZIXZDWKCGFM-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000822318992 599602678 /nfs/dbraw/zinc/60/26/78/599602678.db2.gz FHKOYZFPIMBYLD-UHFFFAOYSA-N -1 3 389.416 0.755 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000822318992 599602680 /nfs/dbraw/zinc/60/26/80/599602680.db2.gz FHKOYZFPIMBYLD-UHFFFAOYSA-N -1 3 389.416 0.755 20 0 GCADHM CN1C[C@H](NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)CCC1=O ZINC000736845796 599602964 /nfs/dbraw/zinc/60/29/64/599602964.db2.gz NEGLSGQBHYSFRB-CYBMUJFWSA-N -1 3 384.444 0.319 20 0 GCADHM CN1C[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)CCC1=O ZINC000736845796 599602966 /nfs/dbraw/zinc/60/29/66/599602966.db2.gz NEGLSGQBHYSFRB-CYBMUJFWSA-N -1 3 384.444 0.319 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000821114493 599604261 /nfs/dbraw/zinc/60/42/61/599604261.db2.gz UPVVVHKRNYXFMU-ZDUSSCGKSA-N -1 3 399.455 0.878 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000821114493 599604262 /nfs/dbraw/zinc/60/42/62/599604262.db2.gz UPVVVHKRNYXFMU-ZDUSSCGKSA-N -1 3 399.455 0.878 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)CC2 ZINC000821654058 599605126 /nfs/dbraw/zinc/60/51/26/599605126.db2.gz SHTVGBFILGDPCA-GFCCVEGCSA-N -1 3 398.423 0.915 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)CC2 ZINC000821654058 599605128 /nfs/dbraw/zinc/60/51/28/599605128.db2.gz SHTVGBFILGDPCA-GFCCVEGCSA-N -1 3 398.423 0.915 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822309327 599605578 /nfs/dbraw/zinc/60/55/78/599605578.db2.gz UTMQMZXZWZNDKT-QWRGUYRKSA-N -1 3 394.457 0.394 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822309327 599605580 /nfs/dbraw/zinc/60/55/80/599605580.db2.gz UTMQMZXZWZNDKT-QWRGUYRKSA-N -1 3 394.457 0.394 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822309333 599605993 /nfs/dbraw/zinc/60/59/93/599605993.db2.gz UUIVUSNRNMASJA-SNVBAGLBSA-N -1 3 380.430 0.005 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822309333 599605994 /nfs/dbraw/zinc/60/59/94/599605994.db2.gz UUIVUSNRNMASJA-SNVBAGLBSA-N -1 3 380.430 0.005 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccnc(-n2cncn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740108 599606134 /nfs/dbraw/zinc/60/61/34/599606134.db2.gz MFMOAZCGVBPUSC-AWEZNQCLSA-N -1 3 391.351 0.226 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccnc(-n2cncn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740108 599606136 /nfs/dbraw/zinc/60/61/36/599606136.db2.gz MFMOAZCGVBPUSC-AWEZNQCLSA-N -1 3 391.351 0.226 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2Cn2cncn2)c1-c1nnn[n-]1 ZINC000822314570 599606276 /nfs/dbraw/zinc/60/62/76/599606276.db2.gz VLMLVBVVFFBALK-LBPRGKRZSA-N -1 3 381.400 0.396 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2Cn2cncn2)c1-c1nn[n-]n1 ZINC000822314570 599606278 /nfs/dbraw/zinc/60/62/78/599606278.db2.gz VLMLVBVVFFBALK-LBPRGKRZSA-N -1 3 381.400 0.396 20 0 GCADHM NC(=O)NC(=O)COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737758567 599607860 /nfs/dbraw/zinc/60/78/60/599607860.db2.gz NFBROOTZGDEZNV-UHFFFAOYSA-N -1 3 381.352 0.962 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)c1-c1nnn[n-]1 ZINC000822319807 599608219 /nfs/dbraw/zinc/60/82/19/599608219.db2.gz YNFFFIOZVDQLJJ-AREMUKBSSA-N -1 3 378.458 0.777 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC000822319807 599608221 /nfs/dbraw/zinc/60/82/21/599608221.db2.gz YNFFFIOZVDQLJJ-AREMUKBSSA-N -1 3 378.458 0.777 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000736633861 599610113 /nfs/dbraw/zinc/61/01/13/599610113.db2.gz FTSYJTYGUGWTNX-SNVBAGLBSA-N -1 3 380.430 0.916 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000736633861 599610114 /nfs/dbraw/zinc/61/01/14/599610114.db2.gz FTSYJTYGUGWTNX-SNVBAGLBSA-N -1 3 380.430 0.916 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)C[C@H](C)O ZINC000821756988 599610599 /nfs/dbraw/zinc/61/05/99/599610599.db2.gz SRBQRGXOZXOAQT-JTQLQIEISA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)C[C@H](C)O ZINC000821756988 599610600 /nfs/dbraw/zinc/61/06/00/599610600.db2.gz SRBQRGXOZXOAQT-JTQLQIEISA-N -1 3 376.417 0.727 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H]1CCOC1 ZINC000820315607 599610942 /nfs/dbraw/zinc/61/09/42/599610942.db2.gz ONYAPWSYJUDUPA-WPRPVWTQSA-N -1 3 396.354 0.948 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H]1CCOC1 ZINC000820315607 599610943 /nfs/dbraw/zinc/61/09/43/599610943.db2.gz ONYAPWSYJUDUPA-WPRPVWTQSA-N -1 3 396.354 0.948 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000822680984 599611199 /nfs/dbraw/zinc/61/11/99/599611199.db2.gz RWXXFDMLGPXPFN-CQSZACIVSA-N -1 3 395.427 0.324 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000822680984 599611200 /nfs/dbraw/zinc/61/12/00/599611200.db2.gz RWXXFDMLGPXPFN-CQSZACIVSA-N -1 3 395.427 0.324 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)COCCOC ZINC000821400605 599611734 /nfs/dbraw/zinc/61/17/34/599611734.db2.gz MGEKRWKVTLPKKR-NSHDSACASA-N -1 3 392.416 0.372 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)COCCOC ZINC000821400605 599611735 /nfs/dbraw/zinc/61/17/35/599611735.db2.gz MGEKRWKVTLPKKR-NSHDSACASA-N -1 3 392.416 0.372 20 0 GCADHM CC(C)CC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820050762 599612807 /nfs/dbraw/zinc/61/28/07/599612807.db2.gz FXAPGDKMGBRYKD-UHFFFAOYSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)CC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820050762 599612809 /nfs/dbraw/zinc/61/28/09/599612809.db2.gz FXAPGDKMGBRYKD-UHFFFAOYSA-N -1 3 399.455 0.959 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821831771 599613238 /nfs/dbraw/zinc/61/32/38/599613238.db2.gz MBINIEMAWVGYDO-UHFFFAOYSA-N -1 3 383.368 0.404 20 0 GCADHM COC(C)(C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821672568 599614129 /nfs/dbraw/zinc/61/41/29/599614129.db2.gz OXWHTAGYVHNFLZ-UHFFFAOYSA-N -1 3 384.343 0.948 20 0 GCADHM COC(C)(C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821672568 599614131 /nfs/dbraw/zinc/61/41/31/599614131.db2.gz OXWHTAGYVHNFLZ-UHFFFAOYSA-N -1 3 384.343 0.948 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)CN1CCOCC1 ZINC000736010992 599615830 /nfs/dbraw/zinc/61/58/30/599615830.db2.gz YASHGLUUBKEWEC-LLVKDONJSA-N -1 3 391.407 0.029 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1ccn(C(C)C)n1 ZINC000737057837 599616427 /nfs/dbraw/zinc/61/64/27/599616427.db2.gz JTRVLACCZLZRBB-UHFFFAOYSA-N -1 3 384.400 0.908 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1ccn(C(C)C)n1 ZINC000737057837 599616429 /nfs/dbraw/zinc/61/64/29/599616429.db2.gz JTRVLACCZLZRBB-UHFFFAOYSA-N -1 3 384.400 0.908 20 0 GCADHM C[C@H](O)CN1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736149164 599618806 /nfs/dbraw/zinc/61/88/06/599618806.db2.gz SHGWOVMCTDLERG-NSHDSACASA-N -1 3 379.852 0.457 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820315426 599618837 /nfs/dbraw/zinc/61/88/37/599618837.db2.gz NRVODGHJWLONOG-VIFPVBQESA-N -1 3 397.370 0.921 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820315426 599618839 /nfs/dbraw/zinc/61/88/39/599618839.db2.gz NRVODGHJWLONOG-VIFPVBQESA-N -1 3 397.370 0.921 20 0 GCADHM CSCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821969691 599628149 /nfs/dbraw/zinc/62/81/49/599628149.db2.gz DHSMXNPCDNIXOY-GFCCVEGCSA-N -1 3 390.425 0.978 20 0 GCADHM CSCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821969691 599628150 /nfs/dbraw/zinc/62/81/50/599628150.db2.gz DHSMXNPCDNIXOY-GFCCVEGCSA-N -1 3 390.425 0.978 20 0 GCADHM Cn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c(=O)[nH]c1=O ZINC000822669856 599634748 /nfs/dbraw/zinc/63/47/48/599634748.db2.gz SGMOAQQOUWREDT-UHFFFAOYSA-N -1 3 381.274 0.937 20 0 GCADHM Cn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(=O)[nH]c1=O ZINC000822669856 599634749 /nfs/dbraw/zinc/63/47/49/599634749.db2.gz SGMOAQQOUWREDT-UHFFFAOYSA-N -1 3 381.274 0.937 20 0 GCADHM O=C(CN1C(=O)CCC1=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822992142 599648956 /nfs/dbraw/zinc/64/89/56/599648956.db2.gz JJTBWWDRXKKYQY-UHFFFAOYSA-N -1 3 383.324 0.109 20 0 GCADHM O=C(CN1C(=O)CCC1=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822992142 599648957 /nfs/dbraw/zinc/64/89/57/599648957.db2.gz JJTBWWDRXKKYQY-UHFFFAOYSA-N -1 3 383.324 0.109 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822964803 599650595 /nfs/dbraw/zinc/65/05/95/599650595.db2.gz PVRYZINSAJDNDZ-UHFFFAOYSA-N -1 3 397.351 0.499 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822964803 599650596 /nfs/dbraw/zinc/65/05/96/599650596.db2.gz PVRYZINSAJDNDZ-UHFFFAOYSA-N -1 3 397.351 0.499 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000820528726 599651841 /nfs/dbraw/zinc/65/18/41/599651841.db2.gz NNPLKLVJEXOOPP-RSNWOKGLSA-N -1 3 399.411 0.129 20 0 GCADHM Cc1cnc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)o1 ZINC000822395091 599652220 /nfs/dbraw/zinc/65/22/20/599652220.db2.gz RIFCQBFRBILHDL-UHFFFAOYSA-N -1 3 378.370 0.185 20 0 GCADHM Cc1cnc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)o1 ZINC000822395091 599652221 /nfs/dbraw/zinc/65/22/21/599652221.db2.gz RIFCQBFRBILHDL-UHFFFAOYSA-N -1 3 378.370 0.185 20 0 GCADHM Cc1cc(N2CC[C@@H](OC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822207093 599657494 /nfs/dbraw/zinc/65/74/94/599657494.db2.gz KMSYNWHFPIJKKP-CQSZACIVSA-N -1 3 397.395 0.636 20 0 GCADHM Cc1cc(N2CC[C@@H](OC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822207093 599657495 /nfs/dbraw/zinc/65/74/95/599657495.db2.gz KMSYNWHFPIJKKP-CQSZACIVSA-N -1 3 397.395 0.636 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C)C(=O)NC(N)=O ZINC000820486409 599657843 /nfs/dbraw/zinc/65/78/43/599657843.db2.gz BDENPBOEGXULGQ-SKDRFNHKSA-N -1 3 376.373 0.397 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C)C(=O)NC(N)=O ZINC000820486409 599657844 /nfs/dbraw/zinc/65/78/44/599657844.db2.gz BDENPBOEGXULGQ-SKDRFNHKSA-N -1 3 376.373 0.397 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCCS(N)(=O)=O ZINC000820032697 599657938 /nfs/dbraw/zinc/65/79/38/599657938.db2.gz POKNZUJUCKQDEC-ZDUSSCGKSA-N -1 3 383.430 0.492 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCCS(N)(=O)=O ZINC000820032697 599657939 /nfs/dbraw/zinc/65/79/39/599657939.db2.gz POKNZUJUCKQDEC-ZDUSSCGKSA-N -1 3 383.430 0.492 20 0 GCADHM CCCS(=O)(=O)CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821139343 599658166 /nfs/dbraw/zinc/65/81/66/599658166.db2.gz UTKTWVLFHMHMLN-UHFFFAOYSA-N -1 3 392.397 0.785 20 0 GCADHM CCCS(=O)(=O)CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821139343 599658167 /nfs/dbraw/zinc/65/81/67/599658167.db2.gz UTKTWVLFHMHMLN-UHFFFAOYSA-N -1 3 392.397 0.785 20 0 GCADHM Cn1ccc(N2CCC[C@H](OC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822689910 599658402 /nfs/dbraw/zinc/65/84/02/599658402.db2.gz RNELDYYJGFIANI-AWEZNQCLSA-N -1 3 396.411 0.751 20 0 GCADHM Cc1cc(N2CC[C@H](OC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822207432 599659673 /nfs/dbraw/zinc/65/96/73/599659673.db2.gz WEQTVEVVOCNSQX-AWEZNQCLSA-N -1 3 381.396 0.800 20 0 GCADHM Cc1cc(N2CC[C@H](OC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822207432 599659674 /nfs/dbraw/zinc/65/96/74/599659674.db2.gz WEQTVEVVOCNSQX-AWEZNQCLSA-N -1 3 381.396 0.800 20 0 GCADHM CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000821633833 599660075 /nfs/dbraw/zinc/66/00/75/599660075.db2.gz GAGCMJVNBBOCLT-ZWNOBZJWSA-N -1 3 387.400 0.223 20 0 GCADHM CCn1nc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1=O ZINC000821566832 599660884 /nfs/dbraw/zinc/66/08/84/599660884.db2.gz WDRPXANKQMTVBO-UHFFFAOYSA-N -1 3 394.351 0.850 20 0 GCADHM CCn1nc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1=O ZINC000821566832 599660885 /nfs/dbraw/zinc/66/08/85/599660885.db2.gz WDRPXANKQMTVBO-UHFFFAOYSA-N -1 3 394.351 0.850 20 0 GCADHM COc1ncnc(OC)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821920409 599661004 /nfs/dbraw/zinc/66/10/04/599661004.db2.gz QUSJPNUXIUSHPU-VIFPVBQESA-N -1 3 399.367 0.858 20 0 GCADHM COc1ncnc(OC)c1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821920409 599661005 /nfs/dbraw/zinc/66/10/05/599661005.db2.gz QUSJPNUXIUSHPU-VIFPVBQESA-N -1 3 399.367 0.858 20 0 GCADHM C[C@@](O)(Cc1ccccc1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820467159 599662650 /nfs/dbraw/zinc/66/26/50/599662650.db2.gz BCCHMPIDEAOTIO-DNVCBOLYSA-N -1 3 381.392 0.930 20 0 GCADHM C[C@@](O)(Cc1ccccc1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820467159 599662651 /nfs/dbraw/zinc/66/26/51/599662651.db2.gz BCCHMPIDEAOTIO-DNVCBOLYSA-N -1 3 381.392 0.930 20 0 GCADHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@H](O)C1CCOCC1 ZINC000823444331 599662653 /nfs/dbraw/zinc/66/26/53/599662653.db2.gz LHOFDQVEXXOTNO-CQSZACIVSA-N -1 3 386.368 0.747 20 0 GCADHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@H](O)C1CCOCC1 ZINC000823444331 599662654 /nfs/dbraw/zinc/66/26/54/599662654.db2.gz LHOFDQVEXXOTNO-CQSZACIVSA-N -1 3 386.368 0.747 20 0 GCADHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@H](O)C1CCOCC1 ZINC000823444424 599662706 /nfs/dbraw/zinc/66/27/06/599662706.db2.gz MPBVDNIXMWKNHO-CQSZACIVSA-N -1 3 386.368 0.747 20 0 GCADHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@H](O)C1CCOCC1 ZINC000823444424 599662707 /nfs/dbraw/zinc/66/27/07/599662707.db2.gz MPBVDNIXMWKNHO-CQSZACIVSA-N -1 3 386.368 0.747 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820146905 599667944 /nfs/dbraw/zinc/66/79/44/599667944.db2.gz UGUREVIWSJTXTI-MRXNPFEDSA-N -1 3 392.460 0.811 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820146905 599667945 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383.372 0.173 20 0 GCADHM CN(CC(=O)NCc1ccc(NC(=O)[O-])cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000830676454 602346649 /nfs/dbraw/zinc/34/66/49/602346649.db2.gz HZDSRTCWVMFQBU-UHFFFAOYSA-N -1 3 398.485 0.749 20 0 GCADHM Cc1ccc(NC(=O)NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c(N(C)C)n1 ZINC000826291136 607561591 /nfs/dbraw/zinc/56/15/91/607561591.db2.gz QYIZUQZCEAFEGN-UHFFFAOYSA-N -1 3 385.436 0.696 20 0 GCADHM COc1ccc(CNC(=O)NCC(C)(C)S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826198803 607567504 /nfs/dbraw/zinc/56/75/04/607567504.db2.gz JCMKNRZGFDFLJT-UHFFFAOYSA-N -1 3 382.446 0.498 20 0 GCADHM COc1ccc(CNC(=O)NCC(C)(C)S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826198803 607567505 /nfs/dbraw/zinc/56/75/05/607567505.db2.gz JCMKNRZGFDFLJT-UHFFFAOYSA-N -1 3 382.446 0.498 20 0 GCADHM O=C(c1cnc2n1CCCC2)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826475144 607567688 /nfs/dbraw/zinc/56/76/88/607567688.db2.gz URRWODCYASFCRV-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM O=C(c1cnc2n1CCCC2)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826475144 607567689 /nfs/dbraw/zinc/56/76/89/607567689.db2.gz URRWODCYASFCRV-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825658784 607569172 /nfs/dbraw/zinc/56/91/72/607569172.db2.gz KIHKCRILTRUVTA-JTQLQIEISA-N -1 3 382.446 0.498 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825658784 607569174 /nfs/dbraw/zinc/56/91/74/607569174.db2.gz KIHKCRILTRUVTA-JTQLQIEISA-N -1 3 382.446 0.498 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H](C)CN2CCOCC2)cc1-c1nnn[n-]1 ZINC000826199074 607569330 /nfs/dbraw/zinc/56/93/30/607569330.db2.gz PVJQRIDPFGCFSL-ZDUSSCGKSA-N -1 3 389.460 0.643 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H](C)CN2CCOCC2)cc1-c1nn[n-]n1 ZINC000826199074 607569332 /nfs/dbraw/zinc/56/93/32/607569332.db2.gz PVJQRIDPFGCFSL-ZDUSSCGKSA-N -1 3 389.460 0.643 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)CC2 ZINC000826337528 607566149 /nfs/dbraw/zinc/56/61/49/607566149.db2.gz RQVYYJAURBUSDX-CMPLNLGQSA-N -1 3 396.411 0.899 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000826337528 607566151 /nfs/dbraw/zinc/56/61/51/607566151.db2.gz RQVYYJAURBUSDX-CMPLNLGQSA-N -1 3 396.411 0.899 20 0 GCADHM Cc1nc(NC(=O)c2cnc3n2CCCC3)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826327034 607566192 /nfs/dbraw/zinc/56/61/92/607566192.db2.gz PLDVAAZNDNKIDU-UHFFFAOYSA-N -1 3 390.411 0.963 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)O[C@@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826337576 607566265 /nfs/dbraw/zinc/56/62/65/607566265.db2.gz TUAVWSLONMDQSH-TZMCWYRMSA-N -1 3 382.384 0.099 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)O[C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826337576 607566267 /nfs/dbraw/zinc/56/62/67/607566267.db2.gz TUAVWSLONMDQSH-TZMCWYRMSA-N -1 3 382.384 0.099 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826398978 607571038 /nfs/dbraw/zinc/57/10/38/607571038.db2.gz JOWIBBYBTHBAAR-ZDUSSCGKSA-N -1 3 379.428 0.369 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826398978 607571039 /nfs/dbraw/zinc/57/10/39/607571039.db2.gz JOWIBBYBTHBAAR-ZDUSSCGKSA-N -1 3 379.428 0.369 20 0 GCADHM COc1ccc(CNC(=O)NCCNC(=O)c2cccnc2)cc1-c1nnn[n-]1 ZINC000826200132 607573330 /nfs/dbraw/zinc/57/33/30/607573330.db2.gz ZREGMPUKGTUABS-UHFFFAOYSA-N -1 3 396.411 0.500 20 0 GCADHM COc1ccc(CNC(=O)NCCNC(=O)c2cccnc2)cc1-c1nn[n-]n1 ZINC000826200132 607573332 /nfs/dbraw/zinc/57/33/32/607573332.db2.gz ZREGMPUKGTUABS-UHFFFAOYSA-N -1 3 396.411 0.500 20 0 GCADHM CC(=O)NCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823994984 607575894 /nfs/dbraw/zinc/57/58/94/607575894.db2.gz VVHVWHGWECCPEB-UHFFFAOYSA-N -1 3 378.336 0.300 20 0 GCADHM O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826483429 607576116 /nfs/dbraw/zinc/57/61/16/607576116.db2.gz NKXNELLMVHMOGZ-QMMMGPOBSA-N -1 3 377.304 0.479 20 0 GCADHM CC(C)(CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000824158121 607576425 /nfs/dbraw/zinc/57/64/25/607576425.db2.gz RPETVTSMJNIEMM-UHFFFAOYSA-N -1 3 384.437 0.395 20 0 GCADHM COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000826198379 607576720 /nfs/dbraw/zinc/57/67/20/607576720.db2.gz WOOPFWZUOYYHTH-JTQLQIEISA-N -1 3 380.430 0.204 20 0 GCADHM COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000826198379 607576722 /nfs/dbraw/zinc/57/67/22/607576722.db2.gz WOOPFWZUOYYHTH-JTQLQIEISA-N -1 3 380.430 0.204 20 0 GCADHM Cc1cccc(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)c1-c1nnn[n-]1 ZINC000826304281 607577084 /nfs/dbraw/zinc/57/70/84/607577084.db2.gz FQVPCQKGSAVYCJ-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)c2ccc(O)cc2)cc1-c1nnn[n-]1 ZINC000826197220 607579830 /nfs/dbraw/zinc/57/98/30/607579830.db2.gz FKVXCWLJPDSNAN-UHFFFAOYSA-N -1 3 382.380 0.627 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)c2ccc(O)cc2)cc1-c1nn[n-]n1 ZINC000826197220 607579831 /nfs/dbraw/zinc/57/98/31/607579831.db2.gz FKVXCWLJPDSNAN-UHFFFAOYSA-N -1 3 382.380 0.627 20 0 GCADHM O=S(=O)(NCCCOC[C@H]1CCCO1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490908 607580865 /nfs/dbraw/zinc/58/08/65/607580865.db2.gz MIINFFNXZWFQRZ-GFCCVEGCSA-N -1 3 385.421 0.870 20 0 GCADHM O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493645 607577680 /nfs/dbraw/zinc/57/76/80/607577680.db2.gz VUVPKZSFDOPJFO-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1-c1nnn[n-]1 ZINC000826195718 607581874 /nfs/dbraw/zinc/58/18/74/607581874.db2.gz CYLFMYJGPLEGDQ-OAHLLOKOSA-N -1 3 395.423 0.771 20 0 GCADHM COc1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)cc1-c1nn[n-]n1 ZINC000826195718 607581875 /nfs/dbraw/zinc/58/18/75/607581875.db2.gz CYLFMYJGPLEGDQ-OAHLLOKOSA-N -1 3 395.423 0.771 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826302322 607582131 /nfs/dbraw/zinc/58/21/31/607582131.db2.gz GJCHDXWITMGYSW-AWEZNQCLSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826302322 607582132 /nfs/dbraw/zinc/58/21/32/607582132.db2.gz GJCHDXWITMGYSW-AWEZNQCLSA-N -1 3 394.501 0.810 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1-c1nnn[n-]1 ZINC000826196935 607582556 /nfs/dbraw/zinc/58/25/56/607582556.db2.gz SRMSULMNJIEWCW-STQMWFEESA-N -1 3 398.423 0.667 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1-c1nn[n-]n1 ZINC000826196935 607582558 /nfs/dbraw/zinc/58/25/58/607582558.db2.gz SRMSULMNJIEWCW-STQMWFEESA-N -1 3 398.423 0.667 20 0 GCADHM COc1ccc(CNC(=O)Cn2ncc3ccccc3c2=O)cc1-c1nnn[n-]1 ZINC000826197263 607582818 /nfs/dbraw/zinc/58/28/18/607582818.db2.gz HMZPGPRQHWBLIQ-UHFFFAOYSA-N -1 3 391.391 0.902 20 0 GCADHM COc1ccc(CNC(=O)Cn2ncc3ccccc3c2=O)cc1-c1nn[n-]n1 ZINC000826197263 607582820 /nfs/dbraw/zinc/58/28/20/607582820.db2.gz HMZPGPRQHWBLIQ-UHFFFAOYSA-N -1 3 391.391 0.902 20 0 GCADHM COc1ccc(CNC(=O)Cn2cnc3sccc3c2=O)cc1-c1nnn[n-]1 ZINC000826197596 607583176 /nfs/dbraw/zinc/58/31/76/607583176.db2.gz VXFXXNMDYLKLEM-UHFFFAOYSA-N -1 3 397.420 0.963 20 0 GCADHM COc1ccc(CNC(=O)Cn2cnc3sccc3c2=O)cc1-c1nn[n-]n1 ZINC000826197596 607583177 /nfs/dbraw/zinc/58/31/77/607583177.db2.gz VXFXXNMDYLKLEM-UHFFFAOYSA-N -1 3 397.420 0.963 20 0 GCADHM CC(C)CN1CCO[C@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000824261666 607584781 /nfs/dbraw/zinc/58/47/81/607584781.db2.gz OGWXOUDDEZZHSE-GFCCVEGCSA-N -1 3 398.464 0.641 20 0 GCADHM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826497223 607584840 /nfs/dbraw/zinc/58/48/40/607584840.db2.gz YVAQMPRWDGCVLM-QMMMGPOBSA-N -1 3 391.862 0.233 20 0 GCADHM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826497223 607584842 /nfs/dbraw/zinc/58/48/42/607584842.db2.gz YVAQMPRWDGCVLM-QMMMGPOBSA-N -1 3 391.862 0.233 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000824207601 607586986 /nfs/dbraw/zinc/58/69/86/607586986.db2.gz YTFLLUMAGYSMME-PBHICJAKSA-N -1 3 385.472 0.386 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000824207601 607586988 /nfs/dbraw/zinc/58/69/88/607586988.db2.gz YTFLLUMAGYSMME-PBHICJAKSA-N -1 3 385.472 0.386 20 0 GCADHM Cc1cccc(S(=O)(=O)N(CCS(C)(=O)=O)C(C)C)c1-c1nnn[n-]1 ZINC000826300601 607812019 /nfs/dbraw/zinc/81/20/19/607812019.db2.gz AYEZPHZUDXUWOY-UHFFFAOYSA-N -1 3 387.487 0.619 20 0 GCADHM Cc1cccc(S(=O)(=O)N(CCS(C)(=O)=O)C(C)C)c1-c1nn[n-]n1 ZINC000826300601 607812020 /nfs/dbraw/zinc/81/20/20/607812020.db2.gz AYEZPHZUDXUWOY-UHFFFAOYSA-N -1 3 387.487 0.619 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824908953 607591395 /nfs/dbraw/zinc/59/13/95/607591395.db2.gz RYUCCRBLVUFBHH-BDAKNGLRSA-N -1 3 384.849 0.795 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824908955 607591565 /nfs/dbraw/zinc/59/15/65/607591565.db2.gz RYUCCRBLVUFBHH-DTWKUNHWSA-N -1 3 384.849 0.795 20 0 GCADHM COCCn1nc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)ccc1=O ZINC000826163661 607591865 /nfs/dbraw/zinc/59/18/65/607591865.db2.gz FOAJMNMANXMICF-UHFFFAOYSA-N -1 3 385.384 0.008 20 0 GCADHM COCCn1nc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)ccc1=O ZINC000826163661 607591866 /nfs/dbraw/zinc/59/18/66/607591866.db2.gz FOAJMNMANXMICF-UHFFFAOYSA-N -1 3 385.384 0.008 20 0 GCADHM COc1ccc(CNC(=O)COc2ccc(C(N)=O)cc2)cc1-c1nnn[n-]1 ZINC000826197585 607592778 /nfs/dbraw/zinc/59/27/78/607592778.db2.gz VJNAZWBGADIDAL-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM COc1ccc(CNC(=O)COc2ccc(C(N)=O)cc2)cc1-c1nn[n-]n1 ZINC000826197585 607592780 /nfs/dbraw/zinc/59/27/80/607592780.db2.gz VJNAZWBGADIDAL-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM CS(=O)(=O)CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826222706 607594193 /nfs/dbraw/zinc/59/41/93/607594193.db2.gz IRWXXGMIRZKKND-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM CS(=O)(=O)CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826222706 607594194 /nfs/dbraw/zinc/59/41/94/607594194.db2.gz IRWXXGMIRZKKND-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826437357 607596421 /nfs/dbraw/zinc/59/64/21/607596421.db2.gz HVKSQJMZPWHABN-UHFFFAOYSA-N -1 3 390.400 0.714 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826437357 607596422 /nfs/dbraw/zinc/59/64/22/607596422.db2.gz HVKSQJMZPWHABN-UHFFFAOYSA-N -1 3 390.400 0.714 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000823967083 607598038 /nfs/dbraw/zinc/59/80/38/607598038.db2.gz ILPODERTXKCLGD-UHFFFAOYSA-N -1 3 378.458 0.807 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000823967083 607598041 /nfs/dbraw/zinc/59/80/41/607598041.db2.gz ILPODERTXKCLGD-UHFFFAOYSA-N -1 3 378.458 0.807 20 0 GCADHM C[C@@](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)(C(N)=O)c1ccccc1 ZINC000824640126 607601603 /nfs/dbraw/zinc/60/16/03/607601603.db2.gz ASORRJBAKCTXFV-INIZCTEOSA-N -1 3 390.400 0.685 20 0 GCADHM CN1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1=O ZINC000826016844 607602895 /nfs/dbraw/zinc/60/28/95/607602895.db2.gz GSTRHDVKNAKUGE-QMMMGPOBSA-N -1 3 390.347 0.395 20 0 GCADHM COc1ccc(CNC(=O)C2(S(C)(=O)=O)CCCC2)cc1-c1nnn[n-]1 ZINC000826196235 607608508 /nfs/dbraw/zinc/60/85/08/607608508.db2.gz VIUIPMUPTJISKY-UHFFFAOYSA-N -1 3 379.442 0.849 20 0 GCADHM COc1ccc(CNC(=O)C2(S(C)(=O)=O)CCCC2)cc1-c1nn[n-]n1 ZINC000826196235 607608510 /nfs/dbraw/zinc/60/85/10/607608510.db2.gz VIUIPMUPTJISKY-UHFFFAOYSA-N -1 3 379.442 0.849 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCN2CCCCC2=O)c1-c1nnn[n-]1 ZINC000826303477 607610339 /nfs/dbraw/zinc/61/03/39/607610339.db2.gz QOGVFGOFMHRMEM-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCN2CCCCC2=O)c1-c1nn[n-]n1 ZINC000826303477 607610341 /nfs/dbraw/zinc/61/03/41/607610341.db2.gz QOGVFGOFMHRMEM-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)CN1CCN(C)CC1 ZINC000736589000 603155160 /nfs/dbraw/zinc/15/51/60/603155160.db2.gz UTHIYYSFBGRDOC-ZDUSSCGKSA-N -1 3 377.445 0.715 20 0 GCADHM COc1ccc(COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O)cc1-c1nnn[n-]1 ZINC000826204672 607610854 /nfs/dbraw/zinc/61/08/54/607610854.db2.gz VFVRAJAJEJAVHR-YGRLFVJLSA-N -1 3 391.428 0.830 20 0 GCADHM COc1ccc(COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O)cc1-c1nn[n-]n1 ZINC000826204672 607610855 /nfs/dbraw/zinc/61/08/55/607610855.db2.gz VFVRAJAJEJAVHR-YGRLFVJLSA-N -1 3 391.428 0.830 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825599399 607612681 /nfs/dbraw/zinc/61/26/81/607612681.db2.gz LSHHQCVLBKKIGQ-UHFFFAOYSA-N -1 3 384.437 0.349 20 0 GCADHM O=S(=O)(NCCN1CCSCC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826490933 607614083 /nfs/dbraw/zinc/61/40/83/607614083.db2.gz NDKJGOPSGYZGFC-UHFFFAOYSA-N -1 3 388.906 0.847 20 0 GCADHM O=S(=O)(NCCN1CCSCC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826490933 607614084 /nfs/dbraw/zinc/61/40/84/607614084.db2.gz NDKJGOPSGYZGFC-UHFFFAOYSA-N -1 3 388.906 0.847 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)o1 ZINC000826393092 607615966 /nfs/dbraw/zinc/61/59/66/607615966.db2.gz BEEKWKSWWJVICX-GFCCVEGCSA-N -1 3 382.336 0.521 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)o1 ZINC000826393092 607615968 /nfs/dbraw/zinc/61/59/68/607615968.db2.gz BEEKWKSWWJVICX-GFCCVEGCSA-N -1 3 382.336 0.521 20 0 GCADHM CCN1CCO[C@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000825465190 607616594 /nfs/dbraw/zinc/61/65/94/607616594.db2.gz JBCZKTKFJDQMRY-LLVKDONJSA-N -1 3 386.865 0.519 20 0 GCADHM CCN1CCO[C@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000825465190 607616595 /nfs/dbraw/zinc/61/65/95/607616595.db2.gz JBCZKTKFJDQMRY-LLVKDONJSA-N -1 3 386.865 0.519 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000825838583 607616790 /nfs/dbraw/zinc/61/67/90/607616790.db2.gz AGRVLEXVKSOOIL-JQWIXIFHSA-N -1 3 396.448 0.931 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CC1 ZINC000826112073 607617907 /nfs/dbraw/zinc/61/79/07/607617907.db2.gz RQLIALBSONJFIH-CQSZACIVSA-N -1 3 390.400 0.653 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000826112073 607617909 /nfs/dbraw/zinc/61/79/09/607617909.db2.gz RQLIALBSONJFIH-CQSZACIVSA-N -1 3 390.400 0.653 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826390361 607622165 /nfs/dbraw/zinc/62/21/65/607622165.db2.gz XQBFJYGCXARPAD-PSASIEDQSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000826390361 607622167 /nfs/dbraw/zinc/62/21/67/607622167.db2.gz XQBFJYGCXARPAD-PSASIEDQSA-N -1 3 384.849 0.843 20 0 GCADHM O=S(=O)(c1cc(Br)cc(-c2nnn[n-]2)c1)N1CCC[C@H](O)C1 ZINC000826493739 607622430 /nfs/dbraw/zinc/62/24/30/607622430.db2.gz ADTIKXOMECCOPC-JTQLQIEISA-N -1 3 388.247 0.775 20 0 GCADHM O=S(=O)(c1cc(Br)cc(-c2nn[n-]n2)c1)N1CCC[C@H](O)C1 ZINC000826493739 607622431 /nfs/dbraw/zinc/62/24/31/607622431.db2.gz ADTIKXOMECCOPC-JTQLQIEISA-N -1 3 388.247 0.775 20 0 GCADHM O=S(=O)(NCCOCCO)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826491487 607622686 /nfs/dbraw/zinc/62/26/86/607622686.db2.gz LPCXUMICRWCSLB-UHFFFAOYSA-N -1 3 381.336 0.173 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H](O)COCC(C)C)cc1-c1nnn[n-]1 ZINC000826200005 607625374 /nfs/dbraw/zinc/62/53/74/607625374.db2.gz VBNOEOXUZAXSGH-CYBMUJFWSA-N -1 3 378.433 0.708 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H](O)COCC(C)C)cc1-c1nn[n-]n1 ZINC000826200005 607625376 /nfs/dbraw/zinc/62/53/76/607625376.db2.gz VBNOEOXUZAXSGH-CYBMUJFWSA-N -1 3 378.433 0.708 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826488928 607624799 /nfs/dbraw/zinc/62/47/99/607624799.db2.gz CQZQWEAYHVRKQA-ZDUSSCGKSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826488928 607624800 /nfs/dbraw/zinc/62/48/00/607624800.db2.gz CQZQWEAYHVRKQA-ZDUSSCGKSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826489559 607625486 /nfs/dbraw/zinc/62/54/86/607625486.db2.gz UEODNHMZVQEORM-ZDUSSCGKSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826489559 607625487 /nfs/dbraw/zinc/62/54/87/607625487.db2.gz UEODNHMZVQEORM-ZDUSSCGKSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(c1cc(Br)cc(-c2nnn[n-]2)c1)N(CCO)C1CC1 ZINC000826494029 607627112 /nfs/dbraw/zinc/62/71/12/607627112.db2.gz MEPCJFHXXIEBIO-UHFFFAOYSA-N -1 3 388.247 0.775 20 0 GCADHM O=S(=O)(c1cc(Br)cc(-c2nn[n-]n2)c1)N(CCO)C1CC1 ZINC000826494029 607627115 /nfs/dbraw/zinc/62/71/15/607627115.db2.gz MEPCJFHXXIEBIO-UHFFFAOYSA-N -1 3 388.247 0.775 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826489665 607627380 /nfs/dbraw/zinc/62/73/80/607627380.db2.gz WSNZZBRXAIOFAN-GFCCVEGCSA-N -1 3 375.410 0.585 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826489665 607627381 /nfs/dbraw/zinc/62/73/81/607627381.db2.gz WSNZZBRXAIOFAN-GFCCVEGCSA-N -1 3 375.410 0.585 20 0 GCADHM C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000824679292 607628963 /nfs/dbraw/zinc/62/89/63/607628963.db2.gz RZJPMIBXBMWPIO-DGCLKSJQSA-N -1 3 382.428 0.868 20 0 GCADHM C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000824679292 607628965 /nfs/dbraw/zinc/62/89/65/607628965.db2.gz RZJPMIBXBMWPIO-DGCLKSJQSA-N -1 3 382.428 0.868 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824314785 607629146 /nfs/dbraw/zinc/62/91/46/607629146.db2.gz GGXPPXMWECNIAG-AWEZNQCLSA-N -1 3 399.473 0.290 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824314785 607629147 /nfs/dbraw/zinc/62/91/47/607629147.db2.gz GGXPPXMWECNIAG-AWEZNQCLSA-N -1 3 399.473 0.290 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824315432 607629175 /nfs/dbraw/zinc/62/91/75/607629175.db2.gz NHXATPYEEGQXHK-CYBMUJFWSA-N -1 3 399.473 0.290 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824315432 607629176 /nfs/dbraw/zinc/62/91/76/607629176.db2.gz NHXATPYEEGQXHK-CYBMUJFWSA-N -1 3 399.473 0.290 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826300304 607629765 /nfs/dbraw/zinc/62/97/65/607629765.db2.gz OYTAQHQYHAXHNF-AWEZNQCLSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826300304 607629766 /nfs/dbraw/zinc/62/97/66/607629766.db2.gz OYTAQHQYHAXHNF-AWEZNQCLSA-N -1 3 389.437 0.893 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000825621438 607629798 /nfs/dbraw/zinc/62/97/98/607629798.db2.gz TULSCGZVJLSOMU-YPMHNXCESA-N -1 3 388.428 0.823 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)O)C1 ZINC000825621438 607629800 /nfs/dbraw/zinc/62/98/00/607629800.db2.gz TULSCGZVJLSOMU-YPMHNXCESA-N -1 3 388.428 0.823 20 0 GCADHM CCCn1cc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cn1 ZINC000825361663 607629831 /nfs/dbraw/zinc/62/98/31/607629831.db2.gz HDJWSBGADMCHDF-UHFFFAOYSA-N -1 3 384.400 0.737 20 0 GCADHM CCCn1cc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cn1 ZINC000825361663 607629832 /nfs/dbraw/zinc/62/98/32/607629832.db2.gz HDJWSBGADMCHDF-UHFFFAOYSA-N -1 3 384.400 0.737 20 0 GCADHM COCCN(CCO)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826158673 607630690 /nfs/dbraw/zinc/63/06/90/607630690.db2.gz YLEUFRFKERMBRM-UHFFFAOYSA-N -1 3 395.363 0.515 20 0 GCADHM COCCN(CCO)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826158673 607630692 /nfs/dbraw/zinc/63/06/92/607630692.db2.gz YLEUFRFKERMBRM-UHFFFAOYSA-N -1 3 395.363 0.515 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccnn2CC2CC2)cc1-c1nnn[n-]1 ZINC000826195985 607631059 /nfs/dbraw/zinc/63/10/59/607631059.db2.gz MYJNDFOHSBCRHO-UHFFFAOYSA-N -1 3 396.411 0.737 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccnn2CC2CC2)cc1-c1nn[n-]n1 ZINC000826195985 607631060 /nfs/dbraw/zinc/63/10/60/607631060.db2.gz MYJNDFOHSBCRHO-UHFFFAOYSA-N -1 3 396.411 0.737 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H](O)Cc1ccccc1 ZINC000824473309 607631548 /nfs/dbraw/zinc/63/15/48/607631548.db2.gz ZTNUXOUIBCLTBP-WBMJQRKESA-N -1 3 380.408 0.914 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H](O)Cc1ccccc1 ZINC000824473309 607631549 /nfs/dbraw/zinc/63/15/49/607631549.db2.gz ZTNUXOUIBCLTBP-WBMJQRKESA-N -1 3 380.408 0.914 20 0 GCADHM O=C(NC[C@H]1CCCn2ccnc21)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826435867 607631577 /nfs/dbraw/zinc/63/15/77/607631577.db2.gz ZSMHDNAOYVZGNA-SNVBAGLBSA-N -1 3 384.375 0.835 20 0 GCADHM O=C(NC[C@H]1CCCn2ccnc21)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826435867 607631579 /nfs/dbraw/zinc/63/15/79/607631579.db2.gz ZSMHDNAOYVZGNA-SNVBAGLBSA-N -1 3 384.375 0.835 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H](O)Cc1ccccc1 ZINC000824473307 607631936 /nfs/dbraw/zinc/63/19/36/607631936.db2.gz ZTNUXOUIBCLTBP-LRDDRELGSA-N -1 3 380.408 0.914 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H](O)Cc1ccccc1 ZINC000824473307 607631937 /nfs/dbraw/zinc/63/19/37/607631937.db2.gz ZTNUXOUIBCLTBP-LRDDRELGSA-N -1 3 380.408 0.914 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCOCC1 ZINC000826143671 607632165 /nfs/dbraw/zinc/63/21/65/607632165.db2.gz KOXNEOPGXSVUMZ-UHFFFAOYSA-N -1 3 394.819 0.770 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCOCC1 ZINC000826143671 607632168 /nfs/dbraw/zinc/63/21/68/607632168.db2.gz KOXNEOPGXSVUMZ-UHFFFAOYSA-N -1 3 394.819 0.770 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111921 607632341 /nfs/dbraw/zinc/63/23/41/607632341.db2.gz OJFXKRVXZTVCOY-OAHLLOKOSA-N -1 3 375.385 0.018 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111736 607632473 /nfs/dbraw/zinc/63/24/73/607632473.db2.gz LIUUATLRTFPEEN-HNNXBMFYSA-N -1 3 391.453 0.731 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111736 607632474 /nfs/dbraw/zinc/63/24/74/607632474.db2.gz LIUUATLRTFPEEN-HNNXBMFYSA-N -1 3 391.453 0.731 20 0 GCADHM CCc1ncc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cn1 ZINC000825750815 607630028 /nfs/dbraw/zinc/63/00/28/607630028.db2.gz XYDDHIDXTSIAEQ-UHFFFAOYSA-N -1 3 382.384 0.483 20 0 GCADHM CCc1ncc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cn1 ZINC000825750815 607630030 /nfs/dbraw/zinc/63/00/30/607630030.db2.gz XYDDHIDXTSIAEQ-UHFFFAOYSA-N -1 3 382.384 0.483 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCO[C@H](CNc2cccnn2)C1 ZINC000826183464 607635476 /nfs/dbraw/zinc/63/54/76/607635476.db2.gz PUTMDSQCDJEKBN-OAHLLOKOSA-N -1 3 382.428 0.978 20 0 GCADHM COC[C@@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826148266 607635873 /nfs/dbraw/zinc/63/58/73/607635873.db2.gz DKOYUBQJHXWDKP-LBPRGKRZSA-N -1 3 395.363 0.561 20 0 GCADHM CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826227659 607640160 /nfs/dbraw/zinc/64/01/60/607640160.db2.gz VFNSMVUVFWLXCA-LBPRGKRZSA-N -1 3 377.879 0.912 20 0 GCADHM CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826227659 607640162 /nfs/dbraw/zinc/64/01/62/607640162.db2.gz VFNSMVUVFWLXCA-LBPRGKRZSA-N -1 3 377.879 0.912 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCOC[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826303575 607641343 /nfs/dbraw/zinc/64/13/43/607641343.db2.gz VSGPQILKVTXMJC-ZDUSSCGKSA-N -1 3 381.458 0.897 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCOC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826303575 607641344 /nfs/dbraw/zinc/64/13/44/607641344.db2.gz VSGPQILKVTXMJC-ZDUSSCGKSA-N -1 3 381.458 0.897 20 0 GCADHM CSC[C@H](CCO)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826228195 607642795 /nfs/dbraw/zinc/64/27/95/607642795.db2.gz HZIQDDLVYCTZRI-VIFPVBQESA-N -1 3 377.879 0.912 20 0 GCADHM CSC[C@H](CCO)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826228195 607642798 /nfs/dbraw/zinc/64/27/98/607642798.db2.gz HZIQDDLVYCTZRI-VIFPVBQESA-N -1 3 377.879 0.912 20 0 GCADHM CCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000825581516 607644164 /nfs/dbraw/zinc/64/41/64/607644164.db2.gz BYUVRFVGFCRHJO-LSDHHAIUSA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@@H]1C[C@H](O)C12CCN(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000825581516 607644166 /nfs/dbraw/zinc/64/41/66/607644166.db2.gz BYUVRFVGFCRHJO-LSDHHAIUSA-N -1 3 393.469 0.807 20 0 GCADHM Cc1oc(NC(=O)CN2c3ccccc3C[C@H]2C(N)=O)c(-c2nnn[n-]2)c1C ZINC000826341543 607644840 /nfs/dbraw/zinc/64/48/40/607644840.db2.gz KDLOQKCZKLPUQH-ZDUSSCGKSA-N -1 3 381.396 0.932 20 0 GCADHM Cc1c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439029136 607645432 /nfs/dbraw/zinc/64/54/32/607645432.db2.gz VBKXWLHOOWIPRY-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM Cc1c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439029136 607645436 /nfs/dbraw/zinc/64/54/36/607645436.db2.gz VBKXWLHOOWIPRY-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM CN([C@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825888058 607645563 /nfs/dbraw/zinc/64/55/63/607645563.db2.gz NFSYTNHHRZBCQM-JSGCOSHPSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825888058 607645564 /nfs/dbraw/zinc/64/55/64/607645564.db2.gz NFSYTNHHRZBCQM-JSGCOSHPSA-N -1 3 399.498 0.843 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000826256182 607648833 /nfs/dbraw/zinc/64/88/33/607648833.db2.gz XUBRKJBECNJXMP-CHWSQXEVSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000826256182 607648835 /nfs/dbraw/zinc/64/88/35/607648835.db2.gz XUBRKJBECNJXMP-CHWSQXEVSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000826256184 607649014 /nfs/dbraw/zinc/64/90/14/607649014.db2.gz XUBRKJBECNJXMP-QWHCGFSZSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000826256184 607649016 /nfs/dbraw/zinc/64/90/16/607649016.db2.gz XUBRKJBECNJXMP-QWHCGFSZSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826302055 607649449 /nfs/dbraw/zinc/64/94/49/607649449.db2.gz YYMKSNDWRUHPEZ-QWHCGFSZSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826302055 607649451 /nfs/dbraw/zinc/64/94/51/607649451.db2.gz YYMKSNDWRUHPEZ-QWHCGFSZSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000826245412 607652993 /nfs/dbraw/zinc/65/29/93/607652993.db2.gz XEGIKQDZZVMGCE-HNNXBMFYSA-N -1 3 384.440 0.886 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000826245412 607652995 /nfs/dbraw/zinc/65/29/95/607652995.db2.gz XEGIKQDZZVMGCE-HNNXBMFYSA-N -1 3 384.440 0.886 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1CN1CCOCC1 ZINC000826496197 607655725 /nfs/dbraw/zinc/65/57/25/607655725.db2.gz OCGKAWVEMGLJIH-AWEZNQCLSA-N -1 3 392.485 0.742 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1CN1CCOCC1 ZINC000826496197 607655727 /nfs/dbraw/zinc/65/57/27/607655727.db2.gz OCGKAWVEMGLJIH-AWEZNQCLSA-N -1 3 392.485 0.742 20 0 GCADHM C[C@H]1CN=C(N2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)S1 ZINC000825000580 607657363 /nfs/dbraw/zinc/65/73/63/607657363.db2.gz SSJDAENVMBLSJE-NSHDSACASA-N -1 3 393.498 0.664 20 0 GCADHM C[C@H]1CN=C(N2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)S1 ZINC000825000580 607657365 /nfs/dbraw/zinc/65/73/65/607657365.db2.gz SSJDAENVMBLSJE-NSHDSACASA-N -1 3 393.498 0.664 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826302671 607659315 /nfs/dbraw/zinc/65/93/15/607659315.db2.gz PMSLLJBXTMVDBM-NSHDSACASA-N -1 3 378.458 0.853 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826302671 607659317 /nfs/dbraw/zinc/65/93/17/607659317.db2.gz PMSLLJBXTMVDBM-NSHDSACASA-N -1 3 378.458 0.853 20 0 GCADHM O=S(=O)(NC[C@@]1(O)CCSC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826490270 607659885 /nfs/dbraw/zinc/65/98/85/607659885.db2.gz ORHBLYQCDDRPRR-LBPRGKRZSA-N -1 3 375.863 0.666 20 0 GCADHM O=S(=O)(NC[C@@]1(O)CCSC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826490270 607659886 /nfs/dbraw/zinc/65/98/86/607659886.db2.gz ORHBLYQCDDRPRR-LBPRGKRZSA-N -1 3 375.863 0.666 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000826244781 607662883 /nfs/dbraw/zinc/66/28/83/607662883.db2.gz CXAOKXVXXUWHQU-GFCCVEGCSA-N -1 3 378.458 0.577 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000826244781 607662885 /nfs/dbraw/zinc/66/28/85/607662885.db2.gz CXAOKXVXXUWHQU-GFCCVEGCSA-N -1 3 378.458 0.577 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC2(CS(C)(=O)=O)CC2)c1-c1nnn[n-]1 ZINC000826302504 607663024 /nfs/dbraw/zinc/66/30/24/607663024.db2.gz LJLQDAJEPFCLKM-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC2(CS(C)(=O)=O)CC2)c1-c1nn[n-]n1 ZINC000826302504 607663025 /nfs/dbraw/zinc/66/30/25/607663025.db2.gz LJLQDAJEPFCLKM-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826390041 607663113 /nfs/dbraw/zinc/66/31/13/607663113.db2.gz OMXJZWZUGHTPNL-KOLCDFICSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826390041 607663115 /nfs/dbraw/zinc/66/31/15/607663115.db2.gz OMXJZWZUGHTPNL-KOLCDFICSA-N -1 3 384.849 0.843 20 0 GCADHM COC1CCN(CCNS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000826147323 607665437 /nfs/dbraw/zinc/66/54/37/607665437.db2.gz SUASEHNJUZALHV-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000826248782 607666845 /nfs/dbraw/zinc/66/68/45/607666845.db2.gz WYGZCUJVWLFIGI-UHFFFAOYSA-N -1 3 393.455 0.517 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000826248782 607666848 /nfs/dbraw/zinc/66/68/48/607666848.db2.gz WYGZCUJVWLFIGI-UHFFFAOYSA-N -1 3 393.455 0.517 20 0 GCADHM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)N1CCO[C@H](CO)C1 ZINC000826494417 607666987 /nfs/dbraw/zinc/66/69/87/607666987.db2.gz BBCDZNPMWRWVOB-VIFPVBQESA-N -1 3 393.347 0.267 20 0 GCADHM CC[C@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)C(=O)N1CCOCC1 ZINC000825147325 607667852 /nfs/dbraw/zinc/66/78/52/607667852.db2.gz IFAVEFDEEVYPMW-LBPRGKRZSA-N -1 3 394.457 0.091 20 0 GCADHM CC[C@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)C(=O)N1CCOCC1 ZINC000825147325 607667853 /nfs/dbraw/zinc/66/78/53/607667853.db2.gz IFAVEFDEEVYPMW-LBPRGKRZSA-N -1 3 394.457 0.091 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000826497000 607668055 /nfs/dbraw/zinc/66/80/55/607668055.db2.gz QMPLMMOZKFACBY-TZMCWYRMSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000826497000 607668057 /nfs/dbraw/zinc/66/80/57/607668057.db2.gz QMPLMMOZKFACBY-TZMCWYRMSA-N -1 3 397.482 0.597 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826302634 607670937 /nfs/dbraw/zinc/67/09/37/607670937.db2.gz OHYZTTPTBLOCSL-RYUDHWBXSA-N -1 3 378.458 0.888 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826302634 607670938 /nfs/dbraw/zinc/67/09/38/607670938.db2.gz OHYZTTPTBLOCSL-RYUDHWBXSA-N -1 3 378.458 0.888 20 0 GCADHM NC(=O)C1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000826389711 607671387 /nfs/dbraw/zinc/67/13/87/607671387.db2.gz GGZBZACTHPSKGM-UHFFFAOYSA-N -1 3 376.320 0.182 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824296864 607673093 /nfs/dbraw/zinc/67/30/93/607673093.db2.gz LLOVGTCVOLOHQO-KRWDZBQOSA-N -1 3 384.400 0.803 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824296864 607673096 /nfs/dbraw/zinc/67/30/96/607673096.db2.gz LLOVGTCVOLOHQO-KRWDZBQOSA-N -1 3 384.400 0.803 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)[S@](C)=O ZINC000824402797 607674498 /nfs/dbraw/zinc/67/44/98/607674498.db2.gz YQVKTEOBCGRPKM-ZCAPAMDOSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)[S@](C)=O ZINC000824402797 607674499 /nfs/dbraw/zinc/67/44/99/607674499.db2.gz YQVKTEOBCGRPKM-ZCAPAMDOSA-N -1 3 377.879 0.956 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000825209827 607676777 /nfs/dbraw/zinc/67/67/77/607676777.db2.gz CTIYPQIXIGPMRO-HIFRSBDPSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000825209827 607676779 /nfs/dbraw/zinc/67/67/79/607676779.db2.gz CTIYPQIXIGPMRO-HIFRSBDPSA-N -1 3 392.485 0.598 20 0 GCADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000826118047 607678689 /nfs/dbraw/zinc/67/86/89/607678689.db2.gz XDLBPMZLAWLSPF-CQSZACIVSA-N -1 3 395.441 0.110 20 0 GCADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000826118047 607678690 /nfs/dbraw/zinc/67/86/90/607678690.db2.gz XDLBPMZLAWLSPF-CQSZACIVSA-N -1 3 395.441 0.110 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000826249234 607680289 /nfs/dbraw/zinc/68/02/89/607680289.db2.gz RGTNLJJPPFYLRH-UHFFFAOYSA-N -1 3 386.437 0.894 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1cccc(CS(N)(=O)=O)c1 ZINC000826249234 607680291 /nfs/dbraw/zinc/68/02/91/607680291.db2.gz RGTNLJJPPFYLRH-UHFFFAOYSA-N -1 3 386.437 0.894 20 0 GCADHM O=S(=O)(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1-c1nnn[n-]1 ZINC000826496433 607680481 /nfs/dbraw/zinc/68/04/81/607680481.db2.gz WJXJJODKFUJZOV-GFCCVEGCSA-N -1 3 391.434 0.674 20 0 GCADHM CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000826004179 607683011 /nfs/dbraw/zinc/68/30/11/607683011.db2.gz MKPANPFCPWSVBC-CYBMUJFWSA-N -1 3 375.414 0.850 20 0 GCADHM CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000826004179 607683013 /nfs/dbraw/zinc/68/30/13/607683013.db2.gz MKPANPFCPWSVBC-CYBMUJFWSA-N -1 3 375.414 0.850 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000826246249 607684657 /nfs/dbraw/zinc/68/46/57/607684657.db2.gz XWPKLUITARVSTI-DOTOQJQBSA-N -1 3 399.499 0.652 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000826247468 607688465 /nfs/dbraw/zinc/68/84/65/607688465.db2.gz DRWIAYNNFWHEFU-UHFFFAOYSA-N -1 3 392.485 0.414 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000826247468 607688467 /nfs/dbraw/zinc/68/84/67/607688467.db2.gz DRWIAYNNFWHEFU-UHFFFAOYSA-N -1 3 392.485 0.414 20 0 GCADHM O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826411386 607688931 /nfs/dbraw/zinc/68/89/31/607688931.db2.gz WOGVSHSLDSTRKJ-UHFFFAOYSA-N -1 3 396.411 0.718 20 0 GCADHM O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826411386 607688933 /nfs/dbraw/zinc/68/89/33/607688933.db2.gz WOGVSHSLDSTRKJ-UHFFFAOYSA-N -1 3 396.411 0.718 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000830934292 604410030 /nfs/dbraw/zinc/41/00/30/604410030.db2.gz DOBNARCKGZLHSY-INIZCTEOSA-N -1 3 375.425 0.529 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)CC2)n1C ZINC000826245892 607694903 /nfs/dbraw/zinc/69/49/03/607694903.db2.gz LJGRSTNTJCJNKX-UHFFFAOYSA-N -1 3 381.444 0.570 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)CC2)n1C ZINC000826245892 607694904 /nfs/dbraw/zinc/69/49/04/607694904.db2.gz LJGRSTNTJCJNKX-UHFFFAOYSA-N -1 3 381.444 0.570 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000826250666 607699581 /nfs/dbraw/zinc/69/95/81/607699581.db2.gz LUQKBGXGSWVQIB-GFCCVEGCSA-N -1 3 387.425 0.984 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000826250666 607699583 /nfs/dbraw/zinc/69/95/83/607699583.db2.gz LUQKBGXGSWVQIB-GFCCVEGCSA-N -1 3 387.425 0.984 20 0 GCADHM NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1 ZINC000826393476 607698861 /nfs/dbraw/zinc/69/88/61/607698861.db2.gz UAKVWOBDQKJYBA-UHFFFAOYSA-N -1 3 380.412 0.252 20 0 GCADHM NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1 ZINC000826393476 607698863 /nfs/dbraw/zinc/69/88/63/607698863.db2.gz UAKVWOBDQKJYBA-UHFFFAOYSA-N -1 3 380.412 0.252 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000826246615 607699102 /nfs/dbraw/zinc/69/91/02/607699102.db2.gz HQDZREXSJPAFNZ-IAQYHMDHSA-N -1 3 380.412 0.832 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000826246615 607699103 /nfs/dbraw/zinc/69/91/03/607699103.db2.gz HQDZREXSJPAFNZ-IAQYHMDHSA-N -1 3 380.412 0.832 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000826244816 607701515 /nfs/dbraw/zinc/70/15/15/607701515.db2.gz DSGFRMPLBOBHFU-XIKOKIGWSA-N -1 3 383.412 0.625 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000826244816 607701516 /nfs/dbraw/zinc/70/15/16/607701516.db2.gz DSGFRMPLBOBHFU-XIKOKIGWSA-N -1 3 383.412 0.625 20 0 GCADHM CN1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)CC1 ZINC000826038699 607704352 /nfs/dbraw/zinc/70/43/52/607704352.db2.gz VHPCSBFZIWHPSO-UHFFFAOYSA-N -1 3 394.439 0.764 20 0 GCADHM C[C@H](Oc1ccc(CN2CCO[C@@H](CN3CCN(C)CC3)C2)cc1)C(=O)[O-] ZINC000833540174 604635959 /nfs/dbraw/zinc/63/59/59/604635959.db2.gz KXLYTCOAKYSDCB-LPHOPBHVSA-N -1 3 377.485 0.987 20 0 GCADHM C[C@@H](Oc1ccc(CN2CCO[C@@H](CN3CCN(C)CC3)C2)cc1)C(=O)[O-] ZINC000833540173 604636239 /nfs/dbraw/zinc/63/62/39/604636239.db2.gz KXLYTCOAKYSDCB-APWZRJJASA-N -1 3 377.485 0.987 20 0 GCADHM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC000826224131 607708728 /nfs/dbraw/zinc/70/87/28/607708728.db2.gz POPAGFMNHCVGHG-UHFFFAOYSA-N -1 3 387.425 0.765 20 0 GCADHM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC000826224131 607708730 /nfs/dbraw/zinc/70/87/30/607708730.db2.gz POPAGFMNHCVGHG-UHFFFAOYSA-N -1 3 387.425 0.765 20 0 GCADHM CN(C)C[C@H]1CN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CCO1 ZINC000830601571 604756506 /nfs/dbraw/zinc/75/65/06/604756506.db2.gz ZFIUXDCNRAABPH-YJBOKZPZSA-N -1 3 388.468 0.984 20 0 GCADHM C[C@H](CC(=O)[O-])N1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000827356865 604868110 /nfs/dbraw/zinc/86/81/10/604868110.db2.gz UGCKPRMENMSEOY-CYBMUJFWSA-N -1 3 386.412 0.213 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000824513738 607721877 /nfs/dbraw/zinc/72/18/77/607721877.db2.gz HECRRNSNARFAFP-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000824513738 607721879 /nfs/dbraw/zinc/72/18/79/607721879.db2.gz HECRRNSNARFAFP-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM O=C([O-])Cn1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000833276088 604958003 /nfs/dbraw/zinc/95/80/03/604958003.db2.gz MPJYXLNGLCKAGJ-JKSUJKDBSA-N -1 3 387.440 0.972 20 0 GCADHM CCOC(=O)NCCCC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825523764 607727012 /nfs/dbraw/zinc/72/70/12/607727012.db2.gz ULQKWZBYJLJUDU-UHFFFAOYSA-N -1 3 376.373 0.875 20 0 GCADHM CCOC(=O)NCCCC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825523764 607727014 /nfs/dbraw/zinc/72/70/14/607727014.db2.gz ULQKWZBYJLJUDU-UHFFFAOYSA-N -1 3 376.373 0.875 20 0 GCADHM CCOc1ccc(C[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C(=O)[O-])cc1 ZINC000833664251 605039672 /nfs/dbraw/zinc/03/96/72/605039672.db2.gz NSUPECDPRZZJBL-AEFFLSMTSA-N -1 3 375.469 0.835 20 0 GCADHM CC(C)N1CCC(O)(CNS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])CC1 ZINC000833499089 605048324 /nfs/dbraw/zinc/04/83/24/605048324.db2.gz IFXNVGHQLWFVOL-UHFFFAOYSA-N -1 3 391.877 0.947 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000826176473 607738977 /nfs/dbraw/zinc/73/89/77/607738977.db2.gz QQRCHCUHQBAFGO-NSHDSACASA-N -1 3 392.397 0.801 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000826176473 607738978 /nfs/dbraw/zinc/73/89/78/607738978.db2.gz QQRCHCUHQBAFGO-NSHDSACASA-N -1 3 392.397 0.801 20 0 GCADHM C[C@@H]1CN(CCC(=O)[O-])CCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000833629114 605188694 /nfs/dbraw/zinc/18/86/94/605188694.db2.gz RGLKFZWUTYYKSP-KGLIPLIRSA-N -1 3 375.425 0.124 20 0 GCADHM C[C@H]1CN(CCC(=O)[O-])CCN1C[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000833629112 605188717 /nfs/dbraw/zinc/18/87/17/605188717.db2.gz RGLKFZWUTYYKSP-KBPBESRZSA-N -1 3 375.425 0.124 20 0 GCADHM COC(=O)c1cc(CN2CCN(C(=O)CN3CCCC3)CC2)cc(C(=O)[O-])c1 ZINC000833712318 605202955 /nfs/dbraw/zinc/20/29/55/605202955.db2.gz FAWVIHOFUDTLQW-UHFFFAOYSA-N -1 3 389.452 0.911 20 0 GCADHM C[C@H](O)CCNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824699746 607741777 /nfs/dbraw/zinc/74/17/77/607741777.db2.gz VEAVWZHQWHEFKR-ZETCQYMHSA-N -1 3 376.236 0.678 20 0 GCADHM C[C@H](O)CCNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824699746 607741778 /nfs/dbraw/zinc/74/17/78/607741778.db2.gz VEAVWZHQWHEFKR-ZETCQYMHSA-N -1 3 376.236 0.678 20 0 GCADHM O=S(=O)(NCc1ccc(-c2nnn[n-]2)cc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000826491890 607741829 /nfs/dbraw/zinc/74/18/29/607741829.db2.gz IWLJXPJYEMUEJH-GFCCVEGCSA-N -1 3 393.404 0.642 20 0 GCADHM O=S(=O)(NCc1ccc(-c2nn[n-]n2)cc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000826491890 607741830 /nfs/dbraw/zinc/74/18/30/607741830.db2.gz IWLJXPJYEMUEJH-GFCCVEGCSA-N -1 3 393.404 0.642 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cn2)C[C@@H](C)O1 ZINC000824966780 607742570 /nfs/dbraw/zinc/74/25/70/607742570.db2.gz DUPCPGGIFSGNRS-GHMZBOCLSA-N -1 3 399.415 0.279 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cn2)C[C@@H](C)O1 ZINC000824966780 607742571 /nfs/dbraw/zinc/74/25/71/607742571.db2.gz DUPCPGGIFSGNRS-GHMZBOCLSA-N -1 3 399.415 0.279 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)cc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000826493626 607743009 /nfs/dbraw/zinc/74/30/09/607743009.db2.gz UQRYBHMPQLHSKM-SNVBAGLBSA-N -1 3 380.361 0.931 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)cc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000826493626 607743010 /nfs/dbraw/zinc/74/30/10/607743010.db2.gz UQRYBHMPQLHSKM-SNVBAGLBSA-N -1 3 380.361 0.931 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000823972796 607745993 /nfs/dbraw/zinc/74/59/93/607745993.db2.gz GZEMYPNRUCMMPU-ZANVPECISA-N -1 3 382.421 0.541 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC000824506358 607751828 /nfs/dbraw/zinc/75/18/28/607751828.db2.gz NHSFSGFIIIYFLM-MFKMUULPSA-N -1 3 391.432 0.949 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC000824506358 607751829 /nfs/dbraw/zinc/75/18/29/607751829.db2.gz NHSFSGFIIIYFLM-MFKMUULPSA-N -1 3 391.432 0.949 20 0 GCADHM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825122160 607754176 /nfs/dbraw/zinc/75/41/76/607754176.db2.gz XKKOFGQSPWUZQF-GFCCVEGCSA-N -1 3 383.412 0.877 20 0 GCADHM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825122160 607754177 /nfs/dbraw/zinc/75/41/77/607754177.db2.gz XKKOFGQSPWUZQF-GFCCVEGCSA-N -1 3 383.412 0.877 20 0 GCADHM CCN(C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)c1cccnn1 ZINC000825415501 607755272 /nfs/dbraw/zinc/75/52/72/607755272.db2.gz BTNBKLSRVVQNNR-GFCCVEGCSA-N -1 3 383.416 0.352 20 0 GCADHM CCN(C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)c1cccnn1 ZINC000825415501 607755273 /nfs/dbraw/zinc/75/52/73/607755273.db2.gz BTNBKLSRVVQNNR-GFCCVEGCSA-N -1 3 383.416 0.352 20 0 GCADHM CC(=O)N1CC[C@@H](NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000823973554 607758417 /nfs/dbraw/zinc/75/84/17/607758417.db2.gz KQENCTFCLXMXDO-MLGOLLRUSA-N -1 3 387.444 0.802 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)c2cnn(C)c2)cc1-c1nnn[n-]1 ZINC000825523136 607759738 /nfs/dbraw/zinc/75/97/38/607759738.db2.gz NESCQSNHUXLWMZ-UHFFFAOYSA-N -1 3 384.356 0.990 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)c2cnn(C)c2)cc1-c1nn[n-]n1 ZINC000825523136 607759739 /nfs/dbraw/zinc/75/97/39/607759739.db2.gz NESCQSNHUXLWMZ-UHFFFAOYSA-N -1 3 384.356 0.990 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCCS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000825539168 607762707 /nfs/dbraw/zinc/76/27/07/607762707.db2.gz NPMORZGLOHYYMF-UHFFFAOYSA-N -1 3 397.417 0.601 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCCS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000825539168 607762708 /nfs/dbraw/zinc/76/27/08/607762708.db2.gz NPMORZGLOHYYMF-UHFFFAOYSA-N -1 3 397.417 0.601 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCN(C)C2=O)cc1-c1nnn[n-]1 ZINC000825539948 607765570 /nfs/dbraw/zinc/76/55/70/607765570.db2.gz SUCFBSNJMICXJR-GFCCVEGCSA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCN(C)C2=O)cc1-c1nn[n-]n1 ZINC000825539948 607765571 /nfs/dbraw/zinc/76/55/71/607765571.db2.gz SUCFBSNJMICXJR-GFCCVEGCSA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)C(=O)NC)cc1-c1nnn[n-]1 ZINC000825539088 607767230 /nfs/dbraw/zinc/76/72/30/607767230.db2.gz MBYWXLFNKKMVMQ-MRVPVSSYSA-N -1 3 376.377 0.691 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H](C)C(=O)NC)cc1-c1nn[n-]n1 ZINC000825539088 607767231 /nfs/dbraw/zinc/76/72/31/607767231.db2.gz MBYWXLFNKKMVMQ-MRVPVSSYSA-N -1 3 376.377 0.691 20 0 GCADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1nc(-c2nc[nH]n2)no1 ZINC000824199074 607767678 /nfs/dbraw/zinc/76/76/78/607767678.db2.gz GXIMGURITCFBSP-SNVBAGLBSA-N -1 3 381.360 0.557 20 0 GCADHM CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1nc(-c2nc[nH]n2)no1 ZINC000824199074 607767679 /nfs/dbraw/zinc/76/76/79/607767679.db2.gz GXIMGURITCFBSP-SNVBAGLBSA-N -1 3 381.360 0.557 20 0 GCADHM CC[C@@H](CO)NC(=O)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825121486 607772099 /nfs/dbraw/zinc/77/20/99/607772099.db2.gz RZZXXOOOKATYMZ-NSHDSACASA-N -1 3 387.425 0.816 20 0 GCADHM CC[C@@H](CO)NC(=O)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825121486 607772100 /nfs/dbraw/zinc/77/21/00/607772100.db2.gz RZZXXOOOKATYMZ-NSHDSACASA-N -1 3 387.425 0.816 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CC)CO)cc1-c1nnn[n-]1 ZINC000825522423 607772138 /nfs/dbraw/zinc/77/21/38/607772138.db2.gz FBTRVNOHVZTBRI-VIFPVBQESA-N -1 3 391.388 0.261 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CC)CO)cc1-c1nn[n-]n1 ZINC000825522423 607772139 /nfs/dbraw/zinc/77/21/39/607772139.db2.gz FBTRVNOHVZTBRI-VIFPVBQESA-N -1 3 391.388 0.261 20 0 GCADHM NC(=O)c1nccnc1C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822890602 606018842 /nfs/dbraw/zinc/01/88/42/606018842.db2.gz ZFUCFIHLPVLIGH-UHFFFAOYSA-N -1 3 394.395 0.439 20 0 GCADHM NC(=O)c1nccnc1C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822890602 606018844 /nfs/dbraw/zinc/01/88/44/606018844.db2.gz ZFUCFIHLPVLIGH-UHFFFAOYSA-N -1 3 394.395 0.439 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000823521190 606020201 /nfs/dbraw/zinc/02/02/01/606020201.db2.gz RYVMOHNJTHANHG-GFCCVEGCSA-N -1 3 377.364 0.141 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000823521190 606020205 /nfs/dbraw/zinc/02/02/05/606020205.db2.gz RYVMOHNJTHANHG-GFCCVEGCSA-N -1 3 377.364 0.141 20 0 GCADHM Cn1c(CO)cnc1SCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822596960 606022480 /nfs/dbraw/zinc/02/24/80/606022480.db2.gz ZWWCDXPPIUVXKO-UHFFFAOYSA-N -1 3 380.455 0.659 20 0 GCADHM Cn1c(CO)cnc1SCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822596960 606022487 /nfs/dbraw/zinc/02/24/87/606022487.db2.gz ZWWCDXPPIUVXKO-UHFFFAOYSA-N -1 3 380.455 0.659 20 0 GCADHM c1ccc(-n2nnnc2N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000823771671 606041254 /nfs/dbraw/zinc/04/12/54/606041254.db2.gz BUXNPTGITKQFMO-UHFFFAOYSA-N -1 3 375.400 0.564 20 0 GCADHM c1ccc(-n2nnnc2N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000823771671 606041257 /nfs/dbraw/zinc/04/12/57/606041257.db2.gz BUXNPTGITKQFMO-UHFFFAOYSA-N -1 3 375.400 0.564 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCn1cnnc1C(C)C ZINC000822154005 606049287 /nfs/dbraw/zinc/04/92/87/606049287.db2.gz RZHXWCVWVYIEML-UHFFFAOYSA-N -1 3 376.446 0.869 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCn1cnnc1C(C)C ZINC000822154005 606049291 /nfs/dbraw/zinc/04/92/91/606049291.db2.gz RZHXWCVWVYIEML-UHFFFAOYSA-N -1 3 376.446 0.869 20 0 GCADHM CNC(=O)CC1CCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000821631265 606054903 /nfs/dbraw/zinc/05/49/03/606054903.db2.gz DAPZRRXOOUGZQO-OAHLLOKOSA-N -1 3 397.439 0.347 20 0 GCADHM CNC(=O)CC1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000821631265 606054904 /nfs/dbraw/zinc/05/49/04/606054904.db2.gz DAPZRRXOOUGZQO-OAHLLOKOSA-N -1 3 397.439 0.347 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cs1 ZINC000822453520 606069235 /nfs/dbraw/zinc/06/92/35/606069235.db2.gz KTVVFMGKDOGGDM-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cs1 ZINC000822453520 606069241 /nfs/dbraw/zinc/06/92/41/606069241.db2.gz KTVVFMGKDOGGDM-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000822895753 606072140 /nfs/dbraw/zinc/07/21/40/606072140.db2.gz XABHNJWDFSFUGN-GFCCVEGCSA-N -1 3 390.429 0.170 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000822895753 606072145 /nfs/dbraw/zinc/07/21/45/606072145.db2.gz XABHNJWDFSFUGN-GFCCVEGCSA-N -1 3 390.429 0.170 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000822850322 606079224 /nfs/dbraw/zinc/07/92/24/606079224.db2.gz DZIZBKXGYACIIS-SFHVURJKSA-N -1 3 393.451 0.917 20 0 GCADHM O[C@H](COc1ccccc1)CN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823696771 606081165 /nfs/dbraw/zinc/08/11/65/606081165.db2.gz HBMDRRSBRUKPJV-INIZCTEOSA-N -1 3 381.440 0.824 20 0 GCADHM O[C@H](COc1ccccc1)CN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823696771 606081172 /nfs/dbraw/zinc/08/11/72/606081172.db2.gz HBMDRRSBRUKPJV-INIZCTEOSA-N -1 3 381.440 0.824 20 0 GCADHM O=C1[C@@H](N2CC[C@@](O)(C(F)(F)F)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823503052 606084278 /nfs/dbraw/zinc/08/42/78/606084278.db2.gz ARQBBLFBKGCJNV-WFASDCNBSA-N -1 3 382.346 0.971 20 0 GCADHM O=C1[C@@H](N2CC[C@@](O)(C(F)(F)F)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823503052 606084281 /nfs/dbraw/zinc/08/42/81/606084281.db2.gz ARQBBLFBKGCJNV-WFASDCNBSA-N -1 3 382.346 0.971 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(CC[S@](C)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000822548591 606084345 /nfs/dbraw/zinc/08/43/45/606084345.db2.gz MLDYKWOYCWHMMC-MHZLTWQESA-N -1 3 395.489 0.011 20 0 GCADHM COCCN1CCN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000821691572 606107046 /nfs/dbraw/zinc/10/70/46/606107046.db2.gz ZDLXJRZKLVIVJG-UHFFFAOYSA-N -1 3 379.490 0.748 20 0 GCADHM COCCN1CCN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000821691572 606107048 /nfs/dbraw/zinc/10/70/48/606107048.db2.gz ZDLXJRZKLVIVJG-UHFFFAOYSA-N -1 3 379.490 0.748 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000819922016 606108973 /nfs/dbraw/zinc/10/89/73/606108973.db2.gz DSHKLDXFPTZMRF-CQSZACIVSA-N -1 3 389.412 0.815 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000819922016 606108975 /nfs/dbraw/zinc/10/89/75/606108975.db2.gz DSHKLDXFPTZMRF-CQSZACIVSA-N -1 3 389.412 0.815 20 0 GCADHM Cc1nncn1CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000822453686 606109272 /nfs/dbraw/zinc/10/92/72/606109272.db2.gz NNLJCVFNKFTCPZ-UHFFFAOYSA-N -1 3 387.473 0.995 20 0 GCADHM Cc1nncn1CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000822453686 606109274 /nfs/dbraw/zinc/10/92/74/606109274.db2.gz NNLJCVFNKFTCPZ-UHFFFAOYSA-N -1 3 387.473 0.995 20 0 GCADHM CNC(=O)[C@@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821631910 606111741 /nfs/dbraw/zinc/11/17/41/606111741.db2.gz XLFSOPBHABRUSM-LLVKDONJSA-N -1 3 377.474 0.942 20 0 GCADHM CNC(=O)[C@@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821631910 606111743 /nfs/dbraw/zinc/11/17/43/606111743.db2.gz XLFSOPBHABRUSM-LLVKDONJSA-N -1 3 377.474 0.942 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)N1C(=O)CCC1=O ZINC000819854178 606112306 /nfs/dbraw/zinc/11/23/06/606112306.db2.gz AUTAFPDVOHXCLQ-GFCCVEGCSA-N -1 3 397.439 0.489 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)N1C(=O)CCC1=O ZINC000819854178 606112307 /nfs/dbraw/zinc/11/23/07/606112307.db2.gz AUTAFPDVOHXCLQ-GFCCVEGCSA-N -1 3 397.439 0.489 20 0 GCADHM NC(=O)N1CCC[C@H](C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000822873652 606114104 /nfs/dbraw/zinc/11/41/04/606114104.db2.gz FRRPIFGMAZICEK-ZDUSSCGKSA-N -1 3 398.471 0.742 20 0 GCADHM NC(=O)N1CCC[C@H](C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000822873652 606114106 /nfs/dbraw/zinc/11/41/06/606114106.db2.gz FRRPIFGMAZICEK-ZDUSSCGKSA-N -1 3 398.471 0.742 20 0 GCADHM COC[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821682719 606114898 /nfs/dbraw/zinc/11/48/98/606114898.db2.gz MKDWULCJRSRHCX-KRWDZBQOSA-N -1 3 394.435 0.970 20 0 GCADHM COC[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821682719 606114899 /nfs/dbraw/zinc/11/48/99/606114899.db2.gz MKDWULCJRSRHCX-KRWDZBQOSA-N -1 3 394.435 0.970 20 0 GCADHM COC[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821682720 606114953 /nfs/dbraw/zinc/11/49/53/606114953.db2.gz MKDWULCJRSRHCX-QGZVFWFLSA-N -1 3 394.435 0.970 20 0 GCADHM COC[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821682720 606114955 /nfs/dbraw/zinc/11/49/55/606114955.db2.gz MKDWULCJRSRHCX-QGZVFWFLSA-N -1 3 394.435 0.970 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000819876927 606115360 /nfs/dbraw/zinc/11/53/60/606115360.db2.gz KHAPBWWBBVFDKL-GFCCVEGCSA-N -1 3 395.427 0.276 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000819876927 606115361 /nfs/dbraw/zinc/11/53/61/606115361.db2.gz KHAPBWWBBVFDKL-GFCCVEGCSA-N -1 3 395.427 0.276 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000823309266 606119389 /nfs/dbraw/zinc/11/93/89/606119389.db2.gz VQJGRJXJMORKBR-HNNXBMFYSA-N -1 3 385.428 0.128 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000823309266 606119391 /nfs/dbraw/zinc/11/93/91/606119391.db2.gz VQJGRJXJMORKBR-HNNXBMFYSA-N -1 3 385.428 0.128 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000822216306 606119630 /nfs/dbraw/zinc/11/96/30/606119630.db2.gz LKAXXKWRGGRKPD-OAHLLOKOSA-N -1 3 399.455 0.437 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000822216306 606119631 /nfs/dbraw/zinc/11/96/31/606119631.db2.gz LKAXXKWRGGRKPD-OAHLLOKOSA-N -1 3 399.455 0.437 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000819789210 606121583 /nfs/dbraw/zinc/12/15/83/606121583.db2.gz KMGAFLMIVIFZNM-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000819789210 606121584 /nfs/dbraw/zinc/12/15/84/606121584.db2.gz KMGAFLMIVIFZNM-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM 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389.416 0.261 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000823396407 606232301 /nfs/dbraw/zinc/23/23/01/606232301.db2.gz IPQMHPUMSIRBCU-UHFFFAOYSA-N -1 3 399.386 0.840 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000823396407 606232302 /nfs/dbraw/zinc/23/23/02/606232302.db2.gz IPQMHPUMSIRBCU-UHFFFAOYSA-N -1 3 399.386 0.840 20 0 GCADHM COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821657205 606235627 /nfs/dbraw/zinc/23/56/27/606235627.db2.gz KFWZGZYGLMITNO-SDQBBNPISA-N -1 3 392.397 0.332 20 0 GCADHM COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821657205 606235628 /nfs/dbraw/zinc/23/56/28/606235628.db2.gz KFWZGZYGLMITNO-SDQBBNPISA-N -1 3 392.397 0.332 20 0 GCADHM CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821334860 606235798 /nfs/dbraw/zinc/23/57/98/606235798.db2.gz RUFSAPQAPPAFRR-JTQLQIEISA-N -1 3 391.388 0.041 20 0 GCADHM 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606253224 /nfs/dbraw/zinc/25/32/24/606253224.db2.gz GWWOZQYTFPMCDG-UHFFFAOYSA-N -1 3 389.441 0.531 20 0 GCADHM CN(c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1)S(C)(=O)=O ZINC000821619043 606253225 /nfs/dbraw/zinc/25/32/25/606253225.db2.gz GWWOZQYTFPMCDG-UHFFFAOYSA-N -1 3 389.441 0.531 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000823488241 606253666 /nfs/dbraw/zinc/25/36/66/606253666.db2.gz KMMOLLKQAJJERS-UHFFFAOYSA-N -1 3 395.379 0.522 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000823488241 606253668 /nfs/dbraw/zinc/25/36/68/606253668.db2.gz KMMOLLKQAJJERS-UHFFFAOYSA-N -1 3 395.379 0.522 20 0 GCADHM CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821377846 606254129 /nfs/dbraw/zinc/25/41/29/606254129.db2.gz GDWBFJMZCKNWDV-GFCCVEGCSA-N -1 3 378.433 0.883 20 0 GCADHM CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821377846 606254130 /nfs/dbraw/zinc/25/41/30/606254130.db2.gz GDWBFJMZCKNWDV-GFCCVEGCSA-N -1 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ZINC000820919962 606269370 /nfs/dbraw/zinc/26/93/70/606269370.db2.gz IJZCWXDRYFBOAT-GFCCVEGCSA-N -1 3 375.414 0.723 20 0 GCADHM CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(S(N)(=O)=O)c1 ZINC000820919962 606269372 /nfs/dbraw/zinc/26/93/72/606269372.db2.gz IJZCWXDRYFBOAT-GFCCVEGCSA-N -1 3 375.414 0.723 20 0 GCADHM Cc1nc2c(cnn2C)c(N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC000822449983 606274952 /nfs/dbraw/zinc/27/49/52/606274952.db2.gz XTQUWXICMRWAJM-UHFFFAOYSA-N -1 3 393.415 0.142 20 0 GCADHM Cc1nc2c(cnn2C)c(N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC000822449983 606274953 /nfs/dbraw/zinc/27/49/53/606274953.db2.gz XTQUWXICMRWAJM-UHFFFAOYSA-N -1 3 393.415 0.142 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1ccccc1CN1CCOCC1 ZINC000822641085 606276597 /nfs/dbraw/zinc/27/65/97/606276597.db2.gz BSLLMKQZTNQMON-UHFFFAOYSA-N -1 3 381.440 0.967 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccccc1CN1CCOCC1 ZINC000822641085 606276599 /nfs/dbraw/zinc/27/65/99/606276599.db2.gz 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C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000820529680 606294092 /nfs/dbraw/zinc/29/40/92/606294092.db2.gz QXTHOVHAJFTIKN-BLLLJJGKSA-N -1 3 383.412 0.968 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000820529686 606294126 /nfs/dbraw/zinc/29/41/26/606294126.db2.gz QXTHOVHAJFTIKN-WBMJQRKESA-N -1 3 383.412 0.968 20 0 GCADHM CN(C[C@H](O)CN1CCOCC1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821595155 606295708 /nfs/dbraw/zinc/29/57/08/606295708.db2.gz OEIXHBHBKZUVBT-AWEZNQCLSA-N -1 3 392.485 0.110 20 0 GCADHM CN(C[C@H](O)CN1CCOCC1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821595155 606295710 /nfs/dbraw/zinc/29/57/10/606295710.db2.gz OEIXHBHBKZUVBT-AWEZNQCLSA-N -1 3 392.485 0.110 20 0 GCADHM COC(=O)[C@H](NCCNC(=O)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642952 606299906 /nfs/dbraw/zinc/29/99/06/606299906.db2.gz RZDXBYKNTOWUMI-OAHLLOKOSA-N -1 3 381.396 0.495 20 0 GCADHM COC(=O)[C@H](NCCNC(=O)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642952 606299908 /nfs/dbraw/zinc/29/99/08/606299908.db2.gz RZDXBYKNTOWUMI-OAHLLOKOSA-N -1 3 381.396 0.495 20 0 GCADHM CC(C)C[C@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820069190 606307302 /nfs/dbraw/zinc/30/73/02/606307302.db2.gz XGUJLAMRMGTOLE-CYBMUJFWSA-N -1 3 392.441 0.607 20 0 GCADHM CC(C)C[C@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820069190 606307305 /nfs/dbraw/zinc/30/73/05/606307305.db2.gz XGUJLAMRMGTOLE-CYBMUJFWSA-N -1 3 392.441 0.607 20 0 GCADHM O=c1cc2c(nn1CCS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000823665392 606308875 /nfs/dbraw/zinc/30/88/75/606308875.db2.gz JBGKAVRQTLJPPK-UHFFFAOYSA-N -1 3 386.437 0.776 20 0 GCADHM O=c1cc2c(nn1CCS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000823665392 606308876 /nfs/dbraw/zinc/30/88/76/606308876.db2.gz JBGKAVRQTLJPPK-UHFFFAOYSA-N -1 3 386.437 0.776 20 0 GCADHM CCN1CCO[C@@H](C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821276794 606309123 /nfs/dbraw/zinc/30/91/23/606309123.db2.gz NLJFOWQOGPQPEL-CYBMUJFWSA-N -1 3 394.819 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606316044 /nfs/dbraw/zinc/31/60/44/606316044.db2.gz YXBIUOLOKKCFKF-GFCCVEGCSA-N -1 3 375.458 0.621 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC(N2CCNC2=O)CC1 ZINC000821652262 606316252 /nfs/dbraw/zinc/31/62/52/606316252.db2.gz OXBYXEZKLPSYIX-OAHLLOKOSA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC(N2CCNC2=O)CC1 ZINC000821652262 606316254 /nfs/dbraw/zinc/31/62/54/606316254.db2.gz OXBYXEZKLPSYIX-OAHLLOKOSA-N -1 3 385.428 0.570 20 0 GCADHM CC(=O)NCC1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000819802502 606316946 /nfs/dbraw/zinc/31/69/46/606316946.db2.gz DOWSHTGSKLLZCH-CQSZACIVSA-N -1 3 389.485 0.882 20 0 GCADHM CC(=O)NCC1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000819802502 606316947 /nfs/dbraw/zinc/31/69/47/606316947.db2.gz DOWSHTGSKLLZCH-CQSZACIVSA-N -1 3 389.485 0.882 20 0 GCADHM O=C1[C@@H](N2CCN(CC(F)F)CC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503326 606318414 /nfs/dbraw/zinc/31/84/14/606318414.db2.gz CVLSBVBDMHRCFO-NSHDSACASA-N -1 3 383.428 0.916 20 0 GCADHM O=C1[C@@H](N2CCN(CC(F)F)CC2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503326 606318415 /nfs/dbraw/zinc/31/84/15/606318415.db2.gz CVLSBVBDMHRCFO-NSHDSACASA-N -1 3 383.428 0.916 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(c2cccnn2)CC1 ZINC000821651728 606319242 /nfs/dbraw/zinc/31/92/42/606319242.db2.gz FNJDAUIEVDJOOO-MRXNPFEDSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(c2cccnn2)CC1 ZINC000821651728 606319244 /nfs/dbraw/zinc/31/92/44/606319244.db2.gz FNJDAUIEVDJOOO-MRXNPFEDSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@@H]1CCCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000821656010 606319580 /nfs/dbraw/zinc/31/95/80/606319580.db2.gz VVBLXINYKMMKER-PWSUYJOCSA-N -1 3 376.442 0.919 20 0 GCADHM COC(=O)[C@@H]1CCCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000821656010 606319581 /nfs/dbraw/zinc/31/95/81/606319581.db2.gz VVBLXINYKMMKER-PWSUYJOCSA-N -1 3 376.442 0.919 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000821652425 606320857 /nfs/dbraw/zinc/32/08/57/606320857.db2.gz RXAJETZOPRTUOD-HUUCEWRRSA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000821652425 606320858 /nfs/dbraw/zinc/32/08/58/606320858.db2.gz RXAJETZOPRTUOD-HUUCEWRRSA-N -1 3 384.400 0.073 20 0 GCADHM COc1cc2c(nn1)CCN([C@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)C2 ZINC000821728666 606321780 /nfs/dbraw/zinc/32/17/80/606321780.db2.gz YETAHVFMIKWMFS-ZDUSSCGKSA-N -1 3 398.452 0.890 20 0 GCADHM COc1cc2c(nn1)CCN([C@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)C2 ZINC000821728666 606321782 /nfs/dbraw/zinc/32/17/82/606321782.db2.gz YETAHVFMIKWMFS-ZDUSSCGKSA-N -1 3 398.452 0.890 20 0 GCADHM CC(C)(CO)N1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000819988256 606321828 /nfs/dbraw/zinc/32/18/28/606321828.db2.gz VTIFUTKBQPSNNN-ZDUSSCGKSA-N -1 3 391.501 0.422 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(Cc2cnn(C)c2)CC1 ZINC000821652618 606322076 /nfs/dbraw/zinc/32/20/76/606322076.db2.gz 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C[C@@]1(C2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613224 606324517 /nfs/dbraw/zinc/32/45/17/606324517.db2.gz WXPUEVSBRIUJSR-RURPWVQCSA-N -1 3 395.423 0.717 20 0 GCADHM C[C@@]1(C2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820613224 606324519 /nfs/dbraw/zinc/32/45/19/606324519.db2.gz WXPUEVSBRIUJSR-RURPWVQCSA-N -1 3 395.423 0.717 20 0 GCADHM C[C@]1(C2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613222 606324587 /nfs/dbraw/zinc/32/45/87/606324587.db2.gz WXPUEVSBRIUJSR-LIXSYLKWSA-N -1 3 395.423 0.717 20 0 GCADHM C[C@]1(C2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820613222 606324589 /nfs/dbraw/zinc/32/45/89/606324589.db2.gz WXPUEVSBRIUJSR-LIXSYLKWSA-N -1 3 395.423 0.717 20 0 GCADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000820554945 606327010 /nfs/dbraw/zinc/32/70/10/606327010.db2.gz CEFGMNANAXOXTK-MRVPVSSYSA-N -1 3 387.425 0.210 20 0 GCADHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000820554945 606327012 /nfs/dbraw/zinc/32/70/12/606327012.db2.gz CEFGMNANAXOXTK-MRVPVSSYSA-N -1 3 387.425 0.210 20 0 GCADHM CCN(C(=O)CSc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821155395 606327178 /nfs/dbraw/zinc/32/71/78/606327178.db2.gz YSMNBEKPRLZXIU-GFCCVEGCSA-N -1 3 381.483 0.994 20 0 GCADHM CCN(C(=O)CSc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821155395 606327180 /nfs/dbraw/zinc/32/71/80/606327180.db2.gz YSMNBEKPRLZXIU-GFCCVEGCSA-N -1 3 381.483 0.994 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821597595 606330306 /nfs/dbraw/zinc/33/03/06/606330306.db2.gz AONLMOFJFOLHMS-JQWIXIFHSA-N -1 3 396.498 0.400 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821597595 606330308 /nfs/dbraw/zinc/33/03/08/606330308.db2.gz AONLMOFJFOLHMS-JQWIXIFHSA-N -1 3 396.498 0.400 20 0 GCADHM O=C1[C@H](N2CC[C@H](N3CCOCC3)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823505184 606331820 /nfs/dbraw/zinc/33/18/20/606331820.db2.gz 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COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000821649804 606334314 /nfs/dbraw/zinc/33/43/14/606334314.db2.gz DJXPNHPYGGIYNF-CVEARBPZSA-N -1 3 383.412 0.888 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000821649949 606334471 /nfs/dbraw/zinc/33/44/71/606334471.db2.gz HDGQMHAVUDWXFO-JQFCIGGWSA-N -1 3 386.456 0.733 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000821689628 606336178 /nfs/dbraw/zinc/33/61/78/606336178.db2.gz GGVFCYNPOPZYDZ-OAHLLOKOSA-N -1 3 387.444 0.646 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000821689628 606336180 /nfs/dbraw/zinc/33/61/80/606336180.db2.gz GGVFCYNPOPZYDZ-OAHLLOKOSA-N -1 3 387.444 0.646 20 0 GCADHM CN1CCC[C@H](NC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000821623142 606336561 /nfs/dbraw/zinc/33/65/61/606336561.db2.gz DXYWYWFLNUOMAL-INIZCTEOSA-N -1 3 398.471 0.315 20 0 GCADHM CCOC(=O)C1CCN(S(=O)(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821325369 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/nfs/dbraw/zinc/37/84/04/606378404.db2.gz KMBCMRSATMMRTQ-UONOGXRCSA-N -1 3 376.369 0.412 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H](O)C1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821646573 606378407 /nfs/dbraw/zinc/37/84/07/606378407.db2.gz KMBCMRSATMMRTQ-UONOGXRCSA-N -1 3 376.369 0.412 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000820292352 606378946 /nfs/dbraw/zinc/37/89/46/606378946.db2.gz DKEPMHLTEZSJBF-PSASIEDQSA-N -1 3 399.454 0.257 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820292352 606378947 /nfs/dbraw/zinc/37/89/47/606378947.db2.gz DKEPMHLTEZSJBF-PSASIEDQSA-N -1 3 399.454 0.257 20 0 GCADHM CC(C)(NS(C)(=O)=O)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819992252 606380945 /nfs/dbraw/zinc/38/09/45/606380945.db2.gz SOSXBADYWRXNJQ-UHFFFAOYSA-N -1 3 383.430 0.507 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1ccc(NS(C)(=O)=O)cc1 ZINC000822664975 606381201 /nfs/dbraw/zinc/38/12/01/606381201.db2.gz DQWNTGRQBIIIGD-UHFFFAOYSA-N -1 3 376.398 0.934 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1ccc(NS(C)(=O)=O)cc1 ZINC000822664975 606381204 /nfs/dbraw/zinc/38/12/04/606381204.db2.gz DQWNTGRQBIIIGD-UHFFFAOYSA-N -1 3 376.398 0.934 20 0 GCADHM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820220130 606382371 /nfs/dbraw/zinc/38/23/71/606382371.db2.gz NXTNHLNRLVZUMN-JTQLQIEISA-N -1 3 384.400 0.590 20 0 GCADHM C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820220130 606382372 /nfs/dbraw/zinc/38/23/72/606382372.db2.gz NXTNHLNRLVZUMN-JTQLQIEISA-N -1 3 384.400 0.590 20 0 GCADHM CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821636166 606382718 /nfs/dbraw/zinc/38/27/18/606382718.db2.gz HUNCVHTUUMTSHR-SNVBAGLBSA-N -1 3 397.395 0.749 20 0 GCADHM CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821636166 606382720 /nfs/dbraw/zinc/38/27/20/606382720.db2.gz HUNCVHTUUMTSHR-SNVBAGLBSA-N -1 3 397.395 0.749 20 0 GCADHM CCNC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821293151 606382803 /nfs/dbraw/zinc/38/28/03/606382803.db2.gz HURYVCZOIZNNMC-UHFFFAOYSA-N -1 3 397.395 0.750 20 0 GCADHM CCNC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821293151 606382804 /nfs/dbraw/zinc/38/28/04/606382804.db2.gz HURYVCZOIZNNMC-UHFFFAOYSA-N -1 3 397.395 0.750 20 0 GCADHM COCc1cccc(CNC(=O)COC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821696092 606382970 /nfs/dbraw/zinc/38/29/70/606382970.db2.gz VZDYJGXIPUKGNQ-UHFFFAOYSA-N -1 3 384.396 0.825 20 0 GCADHM COCc1cccc(CNC(=O)COC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821696092 606382971 /nfs/dbraw/zinc/38/29/71/606382971.db2.gz VZDYJGXIPUKGNQ-UHFFFAOYSA-N -1 3 384.396 0.825 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820703971 606385688 /nfs/dbraw/zinc/38/56/88/606385688.db2.gz KRYXPRLCVQXOSS-ZYHUDNBSSA-N -1 3 389.416 0.767 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820703971 606385690 /nfs/dbraw/zinc/38/56/90/606385690.db2.gz KRYXPRLCVQXOSS-ZYHUDNBSSA-N -1 3 389.416 0.767 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000821399722 606385731 /nfs/dbraw/zinc/38/57/31/606385731.db2.gz AGURFMIYTNMUJD-UHFFFAOYSA-N -1 3 399.411 0.037 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000821399722 606385734 /nfs/dbraw/zinc/38/57/34/606385734.db2.gz AGURFMIYTNMUJD-UHFFFAOYSA-N -1 3 399.411 0.037 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000821755200 606386255 /nfs/dbraw/zinc/38/62/55/606386255.db2.gz ATUSDUBYKQMONU-KSSFIOAISA-N -1 3 388.428 0.871 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000821755200 606386257 /nfs/dbraw/zinc/38/62/57/606386257.db2.gz ATUSDUBYKQMONU-KSSFIOAISA-N -1 3 388.428 0.871 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000823309117 606386572 /nfs/dbraw/zinc/38/65/72/606386572.db2.gz STKQZQSDYKISQA-HNNXBMFYSA-N -1 3 386.412 0.602 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000823309117 606386573 /nfs/dbraw/zinc/38/65/73/606386573.db2.gz STKQZQSDYKISQA-HNNXBMFYSA-N -1 3 386.412 0.602 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)c2cc(-c3nnn[n-]3)cn2C)o1 ZINC000821588088 606387403 /nfs/dbraw/zinc/38/74/03/606387403.db2.gz AEXNBCPPVDDSHT-UHFFFAOYSA-N -1 3 380.386 0.406 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)c2cc(-c3nn[n-]n3)cn2C)o1 ZINC000821588088 606387404 /nfs/dbraw/zinc/38/74/04/606387404.db2.gz AEXNBCPPVDDSHT-UHFFFAOYSA-N -1 3 380.386 0.406 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000822659317 606387804 /nfs/dbraw/zinc/38/78/04/606387804.db2.gz JSMVDAKVMRBGBT-UHFFFAOYSA-N -1 3 382.340 0.583 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000822659317 606387805 /nfs/dbraw/zinc/38/78/05/606387805.db2.gz JSMVDAKVMRBGBT-UHFFFAOYSA-N -1 3 382.340 0.583 20 0 GCADHM CN(C)c1ncc(CNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n1C ZINC000821590757 606393132 /nfs/dbraw/zinc/39/31/32/606393132.db2.gz DOYNZZPVNWSVFA-UHFFFAOYSA-N -1 3 385.432 0.544 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000820315609 606394416 /nfs/dbraw/zinc/39/44/16/606394416.db2.gz ORJUKGUCAUXHMF-SECBINFHSA-N -1 3 395.358 0.864 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000820315609 606394418 /nfs/dbraw/zinc/39/44/18/606394418.db2.gz ORJUKGUCAUXHMF-SECBINFHSA-N -1 3 395.358 0.864 20 0 GCADHM CCN(CC)C(=O)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821175133 606394705 /nfs/dbraw/zinc/39/47/05/606394705.db2.gz FLTNDTMUGYTXRW-UHFFFAOYSA-N -1 3 391.407 0.709 20 0 GCADHM CCN(CC)C(=O)CCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821175133 606394707 /nfs/dbraw/zinc/39/47/07/606394707.db2.gz FLTNDTMUGYTXRW-UHFFFAOYSA-N -1 3 391.407 0.709 20 0 GCADHM O=C(NCCc1cn2c(n1)CCCC2)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823224021 606396008 /nfs/dbraw/zinc/39/60/08/606396008.db2.gz PUDBUMDVNWSORL-UHFFFAOYSA-N -1 3 398.402 0.836 20 0 GCADHM O=C(NCCc1cn2c(n1)CCCC2)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823224021 606396009 /nfs/dbraw/zinc/39/60/09/606396009.db2.gz PUDBUMDVNWSORL-UHFFFAOYSA-N -1 3 398.402 0.836 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000823336910 606396983 /nfs/dbraw/zinc/39/69/83/606396983.db2.gz CIKVCRJZUTYCPR-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000823336910 606396985 /nfs/dbraw/zinc/39/69/85/606396985.db2.gz CIKVCRJZUTYCPR-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822705089 606397201 /nfs/dbraw/zinc/39/72/01/606397201.db2.gz UXJHJYBFABNEFQ-JTQLQIEISA-N -1 3 399.390 0.479 20 0 GCADHM Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822705089 606397202 /nfs/dbraw/zinc/39/72/02/606397202.db2.gz UXJHJYBFABNEFQ-JTQLQIEISA-N -1 3 399.390 0.479 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCC2(CC1)OCCO2 ZINC000823337118 606397291 /nfs/dbraw/zinc/39/72/91/606397291.db2.gz HDJYEANFQMALTR-UHFFFAOYSA-N -1 3 376.348 0.310 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCC2(CC1)OCCO2 ZINC000823337118 606397293 /nfs/dbraw/zinc/39/72/93/606397293.db2.gz HDJYEANFQMALTR-UHFFFAOYSA-N -1 3 376.348 0.310 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820876261 606397497 /nfs/dbraw/zinc/39/74/97/606397497.db2.gz PDFBWVFRDFXSOK-IUCAKERBSA-N -1 3 377.380 0.364 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820876261 606397499 /nfs/dbraw/zinc/39/74/99/606397499.db2.gz PDFBWVFRDFXSOK-IUCAKERBSA-N -1 3 377.380 0.364 20 0 GCADHM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000819805151 606397761 /nfs/dbraw/zinc/39/77/61/606397761.db2.gz ZSPIXPSFAXESRV-LLVKDONJSA-N -1 3 389.391 0.319 20 0 GCADHM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000819805151 606397762 /nfs/dbraw/zinc/39/77/62/606397762.db2.gz ZSPIXPSFAXESRV-LLVKDONJSA-N -1 3 389.391 0.319 20 0 GCADHM CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820838067 606397770 /nfs/dbraw/zinc/39/77/70/606397770.db2.gz PIVHGXGHLBRKJS-UHFFFAOYSA-N -1 3 389.391 0.415 20 0 GCADHM CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820838067 606397771 /nfs/dbraw/zinc/39/77/71/606397771.db2.gz PIVHGXGHLBRKJS-UHFFFAOYSA-N -1 3 389.391 0.415 20 0 GCADHM O=C(NC[C@H](O)c1cccc(F)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823165943 606398674 /nfs/dbraw/zinc/39/86/74/606398674.db2.gz CELOETBTKIXHKI-AWEZNQCLSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@H](O)c1cccc(F)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823165943 606398676 /nfs/dbraw/zinc/39/86/76/606398676.db2.gz CELOETBTKIXHKI-AWEZNQCLSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@@H](O)c1cccc(F)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823165944 606398699 /nfs/dbraw/zinc/39/86/99/606398699.db2.gz CELOETBTKIXHKI-CQSZACIVSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@@H](O)c1cccc(F)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823165944 606398701 /nfs/dbraw/zinc/39/87/01/606398701.db2.gz CELOETBTKIXHKI-CQSZACIVSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)NC1CCCCC1 ZINC000823002173 606399081 /nfs/dbraw/zinc/39/90/81/606399081.db2.gz UQQZCFLUFKYBGM-UHFFFAOYSA-N -1 3 389.391 0.509 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)NC1CCCCC1 ZINC000823002173 606399083 /nfs/dbraw/zinc/39/90/83/606399083.db2.gz UQQZCFLUFKYBGM-UHFFFAOYSA-N -1 3 389.391 0.509 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H](C)N1CCOCC1 ZINC000820316746 606399463 /nfs/dbraw/zinc/39/94/63/606399463.db2.gz XRRBLIRIZDUKHQ-GHMZBOCLSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H](C)N1CCOCC1 ZINC000820316746 606399465 /nfs/dbraw/zinc/39/94/65/606399465.db2.gz XRRBLIRIZDUKHQ-GHMZBOCLSA-N -1 3 391.407 0.170 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C[C@@H]1C ZINC000821691521 606401409 /nfs/dbraw/zinc/40/14/09/606401409.db2.gz XKXVALSOAVLQCA-NSHDSACASA-N -1 3 391.407 0.123 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C[C@@H]1C ZINC000821691521 606401410 /nfs/dbraw/zinc/40/14/10/606401410.db2.gz XKXVALSOAVLQCA-NSHDSACASA-N -1 3 391.407 0.123 20 0 GCADHM CC(C)(C)OC(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819928110 606401788 /nfs/dbraw/zinc/40/17/88/606401788.db2.gz ILUATZFHWBWCLG-UHFFFAOYSA-N -1 3 378.364 0.792 20 0 GCADHM CC(C)(C)OC(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819928110 606401789 /nfs/dbraw/zinc/40/17/89/606401789.db2.gz ILUATZFHWBWCLG-UHFFFAOYSA-N -1 3 378.364 0.792 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823210938 606401852 /nfs/dbraw/zinc/40/18/52/606401852.db2.gz HWLLWBMOLXMWTO-NSHDSACASA-N -1 3 378.364 0.256 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823210938 606401853 /nfs/dbraw/zinc/40/18/53/606401853.db2.gz HWLLWBMOLXMWTO-NSHDSACASA-N -1 3 378.364 0.256 20 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606404998 /nfs/dbraw/zinc/40/49/98/606404998.db2.gz UOLFUKNQQYWNOG-LLVKDONJSA-N -1 3 385.363 0.400 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821692331 606405226 /nfs/dbraw/zinc/40/52/26/606405226.db2.gz UZUVDDXXZSAYLT-NSHDSACASA-N -1 3 392.391 0.456 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821692331 606405227 /nfs/dbraw/zinc/40/52/27/606405227.db2.gz UZUVDDXXZSAYLT-NSHDSACASA-N -1 3 392.391 0.456 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000823337299 606405280 /nfs/dbraw/zinc/40/52/80/606405280.db2.gz KFEMYJSXHXQNTJ-ZDUSSCGKSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000823337299 606405281 /nfs/dbraw/zinc/40/52/81/606405281.db2.gz KFEMYJSXHXQNTJ-ZDUSSCGKSA-N -1 3 384.371 0.664 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000821756771 606405451 /nfs/dbraw/zinc/40/54/51/606405451.db2.gz RSSFCWUIGNBWMT-NSHDSACASA-N -1 3 397.399 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606585510 /nfs/dbraw/zinc/58/55/10/606585510.db2.gz BPHGINOQQUHAGX-APPDUMDISA-N -1 3 377.401 0.718 20 0 GCADHM COC[C@@](C)(CC(=O)OC)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821680195 606585511 /nfs/dbraw/zinc/58/55/11/606585511.db2.gz BPHGINOQQUHAGX-APPDUMDISA-N -1 3 377.401 0.718 20 0 GCADHM COC[C@@](C)(CC(=O)OC)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000821680653 606586069 /nfs/dbraw/zinc/58/60/69/606586069.db2.gz PNMOKEMNYRYTIL-QGZVFWFLSA-N -1 3 393.400 0.339 20 0 GCADHM COC[C@@](C)(CC(=O)OC)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000821680653 606586070 /nfs/dbraw/zinc/58/60/70/606586070.db2.gz PNMOKEMNYRYTIL-QGZVFWFLSA-N -1 3 393.400 0.339 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@H]1CSCCS1 ZINC000823201578 606586770 /nfs/dbraw/zinc/58/67/70/606586770.db2.gz JTTVAXOAFGIHPU-NSHDSACASA-N -1 3 380.503 0.821 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@H]1CSCCS1 ZINC000823201578 606586772 /nfs/dbraw/zinc/58/67/72/606586772.db2.gz JTTVAXOAFGIHPU-NSHDSACASA-N -1 3 380.503 0.821 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821636029 606590337 /nfs/dbraw/zinc/59/03/37/606590337.db2.gz BYNPKTSUVPAYGZ-NEPJUHHUSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821636029 606590339 /nfs/dbraw/zinc/59/03/39/606590339.db2.gz BYNPKTSUVPAYGZ-NEPJUHHUSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821636024 606590357 /nfs/dbraw/zinc/59/03/57/606590357.db2.gz BUQPHPCYUNYEAK-XEHSLEBBSA-N -1 3 376.442 0.420 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821636024 606590358 /nfs/dbraw/zinc/59/03/58/606590358.db2.gz BUQPHPCYUNYEAK-XEHSLEBBSA-N -1 3 376.442 0.420 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636236 606601875 /nfs/dbraw/zinc/60/18/75/606601875.db2.gz KODLIXLOFHZUIJ-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636236 606601876 /nfs/dbraw/zinc/60/18/76/606601876.db2.gz KODLIXLOFHZUIJ-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H](CO)C1 ZINC000820152437 606605100 /nfs/dbraw/zinc/60/51/00/606605100.db2.gz XZMDLEJSWSPRBI-GFCCVEGCSA-N -1 3 388.428 0.823 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](CO)C1 ZINC000820152437 606605102 /nfs/dbraw/zinc/60/51/02/606605102.db2.gz XZMDLEJSWSPRBI-GFCCVEGCSA-N -1 3 388.428 0.823 20 0 GCADHM CCN(C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CC1 ZINC000821147390 606605231 /nfs/dbraw/zinc/60/52/31/606605231.db2.gz FKZBHDKPSVHJHL-UHFFFAOYSA-N -1 3 381.400 0.456 20 0 GCADHM CCN(C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CC1 ZINC000821147390 606605232 /nfs/dbraw/zinc/60/52/32/606605232.db2.gz FKZBHDKPSVHJHL-UHFFFAOYSA-N -1 3 381.400 0.456 20 0 GCADHM O=C(NCC1CCC1)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823175406 606605394 /nfs/dbraw/zinc/60/53/94/606605394.db2.gz HUKZRCFPLAHIPX-UHFFFAOYSA-N -1 3 381.400 0.361 20 0 GCADHM O=C(NCC1CCC1)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823175406 606605395 /nfs/dbraw/zinc/60/53/95/606605395.db2.gz HUKZRCFPLAHIPX-UHFFFAOYSA-N -1 3 381.400 0.361 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000822216782 606606808 /nfs/dbraw/zinc/60/68/08/606606808.db2.gz ZHQWWCKTUYPEIX-UHFFFAOYSA-N -1 3 398.427 0.130 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000822216782 606606810 /nfs/dbraw/zinc/60/68/10/606606810.db2.gz ZHQWWCKTUYPEIX-UHFFFAOYSA-N -1 3 398.427 0.130 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000823332455 606607388 /nfs/dbraw/zinc/60/73/88/606607388.db2.gz NJCSOBNSHZACNG-GJZGRUSLSA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000823332455 606607390 /nfs/dbraw/zinc/60/73/90/606607390.db2.gz NJCSOBNSHZACNG-GJZGRUSLSA-N -1 3 382.355 0.719 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@H]1C ZINC000820314045 606607874 /nfs/dbraw/zinc/60/78/74/606607874.db2.gz HEIMIRADBXRNPZ-VXGBXAGGSA-N -1 3 385.428 0.711 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1C ZINC000820314045 606607876 /nfs/dbraw/zinc/60/78/76/606607876.db2.gz HEIMIRADBXRNPZ-VXGBXAGGSA-N -1 3 385.428 0.711 20 0 GCADHM C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000820633438 606607880 /nfs/dbraw/zinc/60/78/80/606607880.db2.gz BJVKENWYLMRBPT-KRWDZBQOSA-N -1 3 381.352 0.865 20 0 GCADHM C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000820633438 606607882 /nfs/dbraw/zinc/60/78/82/606607882.db2.gz BJVKENWYLMRBPT-KRWDZBQOSA-N -1 3 381.352 0.865 20 0 GCADHM C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820635266 606608242 /nfs/dbraw/zinc/60/82/42/606608242.db2.gz LLPRUIRKDMBLNE-KRWDZBQOSA-N -1 3 381.352 0.865 20 0 GCADHM C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820635266 606608243 /nfs/dbraw/zinc/60/82/43/606608243.db2.gz LLPRUIRKDMBLNE-KRWDZBQOSA-N -1 3 381.352 0.865 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N[C@H]1CCCNC1=O ZINC000823303247 606608447 /nfs/dbraw/zinc/60/84/47/606608447.db2.gz DYLQJDVUQVXQHJ-JTQLQIEISA-N -1 3 397.317 0.219 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N[C@H]1CCCNC1=O ZINC000823303247 606608449 /nfs/dbraw/zinc/60/84/49/606608449.db2.gz DYLQJDVUQVXQHJ-JTQLQIEISA-N -1 3 397.317 0.219 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000821757549 606608540 /nfs/dbraw/zinc/60/85/40/606608540.db2.gz YNMROADHESALNV-SECBINFHSA-N -1 3 389.416 0.233 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000821757549 606608542 /nfs/dbraw/zinc/60/85/42/606608542.db2.gz YNMROADHESALNV-SECBINFHSA-N -1 3 389.416 0.233 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000823359303 606608972 /nfs/dbraw/zinc/60/89/72/606608972.db2.gz LSBWCYBQCCNKNZ-GFCCVEGCSA-N -1 3 385.409 0.862 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000823359303 606608975 /nfs/dbraw/zinc/60/89/75/606608975.db2.gz LSBWCYBQCCNKNZ-GFCCVEGCSA-N -1 3 385.409 0.862 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000823359307 606609220 /nfs/dbraw/zinc/60/92/20/606609220.db2.gz LSBWCYBQCCNKNZ-LBPRGKRZSA-N -1 3 385.409 0.862 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000823359307 606609222 /nfs/dbraw/zinc/60/92/22/606609222.db2.gz LSBWCYBQCCNKNZ-LBPRGKRZSA-N -1 3 385.409 0.862 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000823332453 606609240 /nfs/dbraw/zinc/60/92/40/606609240.db2.gz NJCSOBNSHZACNG-CABCVRRESA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000823332453 606609243 /nfs/dbraw/zinc/60/92/43/606609243.db2.gz NJCSOBNSHZACNG-CABCVRRESA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000823332459 606609405 /nfs/dbraw/zinc/60/94/05/606609405.db2.gz NJCSOBNSHZACNG-LSDHHAIUSA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000823332459 606609406 /nfs/dbraw/zinc/60/94/06/606609406.db2.gz NJCSOBNSHZACNG-LSDHHAIUSA-N -1 3 382.355 0.719 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)CC2 ZINC000821509974 606609615 /nfs/dbraw/zinc/60/96/15/606609615.db2.gz RGKPFLNNPOCWMQ-GFCCVEGCSA-N -1 3 395.427 0.399 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CC2 ZINC000821509974 606609617 /nfs/dbraw/zinc/60/96/17/606609617.db2.gz RGKPFLNNPOCWMQ-GFCCVEGCSA-N -1 3 395.427 0.399 20 0 GCADHM O=C(NC[C@@H](O)C1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823166914 606610428 /nfs/dbraw/zinc/61/04/28/606610428.db2.gz SPYZAMVUTPUJLC-LLVKDONJSA-N -1 3 384.318 0.711 20 0 GCADHM O=C(NC[C@@H](O)C1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823166914 606610430 /nfs/dbraw/zinc/61/04/30/606610430.db2.gz SPYZAMVUTPUJLC-LLVKDONJSA-N -1 3 384.318 0.711 20 0 GCADHM Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000822436701 606610578 /nfs/dbraw/zinc/61/05/78/606610578.db2.gz PLWHKGVXDGKHRM-GFCCVEGCSA-N -1 3 396.411 0.978 20 0 GCADHM Cc1nc(C[C@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000822436701 606610579 /nfs/dbraw/zinc/61/05/79/606610579.db2.gz PLWHKGVXDGKHRM-GFCCVEGCSA-N -1 3 396.411 0.978 20 0 GCADHM C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820280328 606611112 /nfs/dbraw/zinc/61/11/12/606611112.db2.gz DMPUMJCGHATMNA-YUMQZZPRSA-N -1 3 386.334 0.957 20 0 GCADHM C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820280328 606611113 /nfs/dbraw/zinc/61/11/13/606611113.db2.gz DMPUMJCGHATMNA-YUMQZZPRSA-N -1 3 386.334 0.957 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)CO ZINC000820152415 606611207 /nfs/dbraw/zinc/61/12/07/606611207.db2.gz XNCUEJRKSYGPJG-MNOVXSKESA-N -1 3 376.417 0.726 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)CO ZINC000820152415 606611208 /nfs/dbraw/zinc/61/12/08/606611208.db2.gz XNCUEJRKSYGPJG-MNOVXSKESA-N -1 3 376.417 0.726 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000823309471 606612038 /nfs/dbraw/zinc/61/20/38/606612038.db2.gz ZKEZUISLCFBIJO-CQSZACIVSA-N -1 3 397.439 0.666 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000823309471 606612041 /nfs/dbraw/zinc/61/20/41/606612041.db2.gz ZKEZUISLCFBIJO-CQSZACIVSA-N -1 3 397.439 0.666 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000823331138 606612122 /nfs/dbraw/zinc/61/21/22/606612122.db2.gz BBPIYCKADMMAMD-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000823331138 606612124 /nfs/dbraw/zinc/61/21/24/606612124.db2.gz BBPIYCKADMMAMD-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM C[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820623506 606612167 /nfs/dbraw/zinc/61/21/67/606612167.db2.gz SMEDSYJTMHHLFC-AWEZNQCLSA-N -1 3 384.318 0.807 20 0 GCADHM C[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820623506 606612169 /nfs/dbraw/zinc/61/21/69/606612169.db2.gz SMEDSYJTMHHLFC-AWEZNQCLSA-N -1 3 384.318 0.807 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000823309470 606612246 /nfs/dbraw/zinc/61/22/46/606612246.db2.gz ZKEZUISLCFBIJO-AWEZNQCLSA-N -1 3 397.439 0.666 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000823309470 606612247 /nfs/dbraw/zinc/61/22/47/606612247.db2.gz ZKEZUISLCFBIJO-AWEZNQCLSA-N -1 3 397.439 0.666 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CCO)CSC ZINC000821401276 606612583 /nfs/dbraw/zinc/61/25/83/606612583.db2.gz UPRBKHVQHGUHMJ-LLVKDONJSA-N -1 3 394.457 0.434 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CCO)CSC ZINC000821401276 606612584 /nfs/dbraw/zinc/61/25/84/606612584.db2.gz UPRBKHVQHGUHMJ-LLVKDONJSA-N -1 3 394.457 0.434 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1=O ZINC000820668480 606612809 /nfs/dbraw/zinc/61/28/09/606612809.db2.gz TXFJVDONHWLREJ-DVYJOKAKSA-N -1 3 387.375 0.070 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000820668480 606612810 /nfs/dbraw/zinc/61/28/10/606612810.db2.gz TXFJVDONHWLREJ-DVYJOKAKSA-N -1 3 387.375 0.070 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1=O ZINC000820668479 606612865 /nfs/dbraw/zinc/61/28/65/606612865.db2.gz TXFJVDONHWLREJ-DFAYQTQMSA-N -1 3 387.375 0.070 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000820668479 606612866 /nfs/dbraw/zinc/61/28/66/606612866.db2.gz TXFJVDONHWLREJ-DFAYQTQMSA-N -1 3 387.375 0.070 20 0 GCADHM CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821956206 606613227 /nfs/dbraw/zinc/61/32/27/606613227.db2.gz JOZRRBHGRPFMOY-SECBINFHSA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821956206 606613229 /nfs/dbraw/zinc/61/32/29/606613229.db2.gz JOZRRBHGRPFMOY-SECBINFHSA-N -1 3 384.849 0.689 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)[C@@H](CO)SC ZINC000821757504 606613296 /nfs/dbraw/zinc/61/32/96/606613296.db2.gz YGMQQUCLWOFOBY-PRHODGIISA-N -1 3 380.430 0.042 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)[C@@H](CO)SC ZINC000821757504 606613298 /nfs/dbraw/zinc/61/32/98/606613298.db2.gz YGMQQUCLWOFOBY-PRHODGIISA-N -1 3 380.430 0.042 20 0 GCADHM CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821951198 606613412 /nfs/dbraw/zinc/61/34/12/606613412.db2.gz VSMIQJJKDYQGRE-CPCISQLKSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821951198 606613413 /nfs/dbraw/zinc/61/34/13/606613413.db2.gz VSMIQJJKDYQGRE-CPCISQLKSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821950554 606613454 /nfs/dbraw/zinc/61/34/54/606613454.db2.gz OQOMJFXOODDMNT-HQJQHLMTSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821950554 606613455 /nfs/dbraw/zinc/61/34/55/606613455.db2.gz OQOMJFXOODDMNT-HQJQHLMTSA-N -1 3 384.849 0.687 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@H](C)n2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)CC1 ZINC000819797273 606613844 /nfs/dbraw/zinc/61/38/44/606613844.db2.gz XYFDDZPDOFEWAF-ZDUSSCGKSA-N -1 3 394.439 0.982 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@H](C)n2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)CC1 ZINC000819797273 606613846 /nfs/dbraw/zinc/61/38/46/606613846.db2.gz XYFDDZPDOFEWAF-ZDUSSCGKSA-N -1 3 394.439 0.982 20 0 GCADHM CC[C@@H](C[C@H](C)CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820882599 606614469 /nfs/dbraw/zinc/61/44/69/606614469.db2.gz VAEJUWVQNSVUDW-JQWIXIFHSA-N -1 3 376.417 0.727 20 0 GCADHM CC[C@@H](C[C@H](C)CO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820882599 606614470 /nfs/dbraw/zinc/61/44/70/606614470.db2.gz VAEJUWVQNSVUDW-JQWIXIFHSA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](CO)c1ccccc1 ZINC000821756975 606615075 /nfs/dbraw/zinc/61/50/75/606615075.db2.gz SJKCAPVXRKTCMV-AWEZNQCLSA-N -1 3 396.407 0.706 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](CO)c1ccccc1 ZINC000821756975 606615076 /nfs/dbraw/zinc/61/50/76/606615076.db2.gz SJKCAPVXRKTCMV-AWEZNQCLSA-N -1 3 396.407 0.706 20 0 GCADHM CC(C)S(=O)(=O)CCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820184012 606615606 /nfs/dbraw/zinc/61/56/06/606615606.db2.gz SCOXGXUONMHSGN-UHFFFAOYSA-N -1 3 382.465 0.951 20 0 GCADHM CC(C)S(=O)(=O)CCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820184012 606615608 /nfs/dbraw/zinc/61/56/08/606615608.db2.gz SCOXGXUONMHSGN-UHFFFAOYSA-N -1 3 382.465 0.951 20 0 GCADHM Cc1sc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000822558362 606617776 /nfs/dbraw/zinc/61/77/76/606617776.db2.gz PBMGBPBIVMVLNG-JTQLQIEISA-N -1 3 384.487 0.602 20 0 GCADHM Cc1sc(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000822558362 606617778 /nfs/dbraw/zinc/61/77/78/606617778.db2.gz PBMGBPBIVMVLNG-JTQLQIEISA-N -1 3 384.487 0.602 20 0 GCADHM C[C@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820395948 606618324 /nfs/dbraw/zinc/61/83/24/606618324.db2.gz AGQPMLIOGIDLOR-JTQLQIEISA-N -1 3 390.425 1.000 20 0 GCADHM C[C@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820395948 606618325 /nfs/dbraw/zinc/61/83/25/606618325.db2.gz AGQPMLIOGIDLOR-JTQLQIEISA-N -1 3 390.425 1.000 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821636155 606618562 /nfs/dbraw/zinc/61/85/62/606618562.db2.gz HJLHNTMBPVQQDO-SNVBAGLBSA-N -1 3 381.487 0.577 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821636155 606618564 /nfs/dbraw/zinc/61/85/64/606618564.db2.gz HJLHNTMBPVQQDO-SNVBAGLBSA-N -1 3 381.487 0.577 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000821636335 606623439 /nfs/dbraw/zinc/62/34/39/606623439.db2.gz NZNVNNNEGCZZST-NSHDSACASA-N -1 3 397.461 0.029 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823092801 606623696 /nfs/dbraw/zinc/62/36/96/606623696.db2.gz LNRVIUORRVIQDD-GJZGRUSLSA-N -1 3 375.454 0.977 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823092801 606623698 /nfs/dbraw/zinc/62/36/98/606623698.db2.gz LNRVIUORRVIQDD-GJZGRUSLSA-N -1 3 375.454 0.977 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823078120 606623973 /nfs/dbraw/zinc/62/39/73/606623973.db2.gz GIZFIGRXJPQRDV-HUUCEWRRSA-N -1 3 375.454 0.977 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823078120 606623974 /nfs/dbraw/zinc/62/39/74/606623974.db2.gz GIZFIGRXJPQRDV-HUUCEWRRSA-N -1 3 375.454 0.977 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820287817 606625266 /nfs/dbraw/zinc/62/52/66/606625266.db2.gz QKHDVBJUAIAHLD-KOLCDFICSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820287817 606625268 /nfs/dbraw/zinc/62/52/68/606625268.db2.gz QKHDVBJUAIAHLD-KOLCDFICSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820323890 606625819 /nfs/dbraw/zinc/62/58/19/606625819.db2.gz ZTVKEIZCFURPDN-QLJPJBMISA-N -1 3 399.436 0.774 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820323890 606625820 /nfs/dbraw/zinc/62/58/20/606625820.db2.gz ZTVKEIZCFURPDN-QLJPJBMISA-N -1 3 399.436 0.774 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820287355 606631404 /nfs/dbraw/zinc/63/14/04/606631404.db2.gz LBBYWOVAKYAOGT-YPMHNXCESA-N -1 3 376.421 0.167 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820287355 606631405 /nfs/dbraw/zinc/63/14/05/606631405.db2.gz LBBYWOVAKYAOGT-YPMHNXCESA-N -1 3 376.421 0.167 20 0 GCADHM Cc1cc(NC(=O)CN(c2cccc(-c3nnn[n-]3)c2)S(C)(=O)=O)n(C)n1 ZINC000822207510 606631806 /nfs/dbraw/zinc/63/18/06/606631806.db2.gz YQIBQPKHMFXFQN-UHFFFAOYSA-N -1 3 390.429 0.313 20 0 GCADHM Cc1cc(NC(=O)CN(c2cccc(-c3nn[n-]n3)c2)S(C)(=O)=O)n(C)n1 ZINC000822207510 606631808 /nfs/dbraw/zinc/63/18/08/606631808.db2.gz YQIBQPKHMFXFQN-UHFFFAOYSA-N -1 3 390.429 0.313 20 0 GCADHM COc1cccc(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821869050 606633362 /nfs/dbraw/zinc/63/33/62/606633362.db2.gz ZNXQGVRSIGUOIC-UHFFFAOYSA-N -1 3 381.396 0.359 20 0 GCADHM COc1cccc(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821869050 606633363 /nfs/dbraw/zinc/63/33/63/606633363.db2.gz ZNXQGVRSIGUOIC-UHFFFAOYSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820286294 606635794 /nfs/dbraw/zinc/63/57/94/606635794.db2.gz ADEYPRKNDCGNEI-ONGXEEELSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820286294 606635795 /nfs/dbraw/zinc/63/57/95/606635795.db2.gz ADEYPRKNDCGNEI-ONGXEEELSA-N -1 3 378.364 0.255 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000821756661 606636095 /nfs/dbraw/zinc/63/60/95/606636095.db2.gz QKNKUIPDNNPLBI-ZYHUDNBSSA-N -1 3 390.400 0.124 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000821756661 606636096 /nfs/dbraw/zinc/63/60/96/606636096.db2.gz QKNKUIPDNNPLBI-ZYHUDNBSSA-N -1 3 390.400 0.124 20 0 GCADHM O=S(=O)(NN=c1nccc[nH]1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000823583301 606637614 /nfs/dbraw/zinc/63/76/14/606637614.db2.gz LTVZRNNQUOFHLD-UHFFFAOYSA-N -1 3 397.218 0.725 20 0 GCADHM C[C@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820635224 606638332 /nfs/dbraw/zinc/63/83/32/606638332.db2.gz KMOXLEKXSUHVMV-GOSISDBHSA-N -1 3 392.379 0.667 20 0 GCADHM C[C@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820635224 606638333 /nfs/dbraw/zinc/63/83/33/606638333.db2.gz KMOXLEKXSUHVMV-GOSISDBHSA-N -1 3 392.379 0.667 20 0 GCADHM CCNC(=O)CNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821285430 606638762 /nfs/dbraw/zinc/63/87/62/606638762.db2.gz JVBIJLFLQAORAT-UHFFFAOYSA-N -1 3 389.235 0.044 20 0 GCADHM CCNC(=O)CNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821285430 606638763 /nfs/dbraw/zinc/63/87/63/606638763.db2.gz JVBIJLFLQAORAT-UHFFFAOYSA-N -1 3 389.235 0.044 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000822439429 606641243 /nfs/dbraw/zinc/64/12/43/606641243.db2.gz BCANOMWRRFUGIJ-HNNXBMFYSA-N -1 3 382.428 0.834 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000822439429 606641244 /nfs/dbraw/zinc/64/12/44/606641244.db2.gz BCANOMWRRFUGIJ-HNNXBMFYSA-N -1 3 382.428 0.834 20 0 GCADHM COc1nc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)ncc1Br ZINC000821910460 606642850 /nfs/dbraw/zinc/64/28/50/606642850.db2.gz BAACWWLVCVPSKN-UHFFFAOYSA-N -1 3 395.225 0.778 20 0 GCADHM Cc1nn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1-c1nnn[n-]1 ZINC000822500948 606655024 /nfs/dbraw/zinc/65/50/24/606655024.db2.gz NVYGNDJQVKCEJL-UHFFFAOYSA-N -1 3 383.416 0.429 20 0 GCADHM Cc1nn(CC(=O)Nc2ccc(N3CCOCC3)cc2)c(N)c1-c1nn[n-]n1 ZINC000822500948 606655025 /nfs/dbraw/zinc/65/50/25/606655025.db2.gz NVYGNDJQVKCEJL-UHFFFAOYSA-N -1 3 383.416 0.429 20 0 GCADHM Cc1nn(CC(=O)Nc2cccc(N3CCCC3=O)c2)c(N)c1-c1nnn[n-]1 ZINC000822501183 606655132 /nfs/dbraw/zinc/65/51/32/606655132.db2.gz ZPWJCGRFCQEHMG-UHFFFAOYSA-N -1 3 381.400 0.719 20 0 GCADHM Cc1nn(CC(=O)Nc2cccc(N3CCCC3=O)c2)c(N)c1-c1nn[n-]n1 ZINC000822501183 606655133 /nfs/dbraw/zinc/65/51/33/606655133.db2.gz ZPWJCGRFCQEHMG-UHFFFAOYSA-N -1 3 381.400 0.719 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821688324 606659117 /nfs/dbraw/zinc/65/91/17/606659117.db2.gz HEKQYFMCULLVGJ-GFCCVEGCSA-N -1 3 398.427 0.916 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821688324 606659118 /nfs/dbraw/zinc/65/91/18/606659118.db2.gz HEKQYFMCULLVGJ-GFCCVEGCSA-N -1 3 398.427 0.916 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000823246282 606659144 /nfs/dbraw/zinc/65/91/44/606659144.db2.gz JOIBRHHGJKGORK-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000823246282 606659145 /nfs/dbraw/zinc/65/91/45/606659145.db2.gz JOIBRHHGJKGORK-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821695454 606659309 /nfs/dbraw/zinc/65/93/09/606659309.db2.gz ZYATWLVDBXEZIQ-LLVKDONJSA-N -1 3 384.400 0.526 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821695454 606659310 /nfs/dbraw/zinc/65/93/10/606659310.db2.gz ZYATWLVDBXEZIQ-LLVKDONJSA-N -1 3 384.400 0.526 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000823253757 606659558 /nfs/dbraw/zinc/65/95/58/606659558.db2.gz LOQSBSMPHJZPMQ-UHFFFAOYSA-N -1 3 390.367 0.097 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000823253757 606659559 /nfs/dbraw/zinc/65/95/59/606659559.db2.gz LOQSBSMPHJZPMQ-UHFFFAOYSA-N -1 3 390.367 0.097 20 0 GCADHM COC[C@](C)(O)C(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000821682004 606660176 /nfs/dbraw/zinc/66/01/76/606660176.db2.gz XWSOBRUPHNZHMR-IBGZPJMESA-N -1 3 397.439 0.461 20 0 GCADHM COC[C@](C)(O)C(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000821682004 606660177 /nfs/dbraw/zinc/66/01/77/606660177.db2.gz XWSOBRUPHNZHMR-IBGZPJMESA-N -1 3 397.439 0.461 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821932807 606669616 /nfs/dbraw/zinc/66/96/16/606669616.db2.gz RRRWBUPBPSBHSD-VIFPVBQESA-N -1 3 386.384 0.299 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821932807 606669617 /nfs/dbraw/zinc/66/96/17/606669617.db2.gz RRRWBUPBPSBHSD-VIFPVBQESA-N -1 3 386.384 0.299 20 0 GCADHM CCN(CCCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC000821207739 606671929 /nfs/dbraw/zinc/67/19/29/606671929.db2.gz UEGGPCPULLWPMK-UHFFFAOYSA-N -1 3 388.400 0.546 20 0 GCADHM CCN(CCCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC000821207739 606671930 /nfs/dbraw/zinc/67/19/30/606671930.db2.gz UEGGPCPULLWPMK-UHFFFAOYSA-N -1 3 388.400 0.546 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822669757 606680267 /nfs/dbraw/zinc/68/02/67/606680267.db2.gz OIBQOPVHGXKDGY-UHFFFAOYSA-N -1 3 395.423 0.988 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821369368 606681418 /nfs/dbraw/zinc/68/14/18/606681418.db2.gz ZSWUISGFYFWWFE-GFCCVEGCSA-N -1 3 396.398 0.300 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821369368 606681419 /nfs/dbraw/zinc/68/14/19/606681419.db2.gz ZSWUISGFYFWWFE-GFCCVEGCSA-N -1 3 396.398 0.300 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000823459995 606682218 /nfs/dbraw/zinc/68/22/18/606682218.db2.gz FJDBTDSBKYNAIA-ZIAGYGMSSA-N -1 3 378.383 0.816 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000823459995 606682219 /nfs/dbraw/zinc/68/22/19/606682219.db2.gz FJDBTDSBKYNAIA-ZIAGYGMSSA-N -1 3 378.383 0.816 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)[nH]1 ZINC000822441455 606686023 /nfs/dbraw/zinc/68/60/23/606686023.db2.gz ZUPXGEIWUOFMNB-UHFFFAOYSA-N -1 3 389.370 0.529 20 0 GCADHM C[C@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@@H]1N1CCOCC1 ZINC000820741676 606687295 /nfs/dbraw/zinc/68/72/95/606687295.db2.gz FDTKQNBZRKYEJF-HZMBPMFUSA-N -1 3 378.383 0.938 20 0 GCADHM C[C@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@@H]1N1CCOCC1 ZINC000820741676 606687296 /nfs/dbraw/zinc/68/72/96/606687296.db2.gz FDTKQNBZRKYEJF-HZMBPMFUSA-N -1 3 378.383 0.938 20 0 GCADHM O=C(c1ccc(COc2ccccc2-c2nnn[n-]2)o1)N1C[C@H](O)C[C@H](O)C1 ZINC000823487769 606688598 /nfs/dbraw/zinc/68/85/98/606688598.db2.gz HTHMZYLFARGVOM-TXEJJXNPSA-N -1 3 385.380 0.606 20 0 GCADHM O=C(c1ccc(COc2ccccc2-c2nn[n-]n2)o1)N1C[C@H](O)C[C@H](O)C1 ZINC000823487769 606688599 /nfs/dbraw/zinc/68/85/99/606688599.db2.gz HTHMZYLFARGVOM-TXEJJXNPSA-N -1 3 385.380 0.606 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C[C@@H]1C ZINC000821655291 606690202 /nfs/dbraw/zinc/69/02/02/606690202.db2.gz ITUVZYSAWGZLHZ-JQWIXIFHSA-N -1 3 375.385 0.522 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C[C@@H]1C ZINC000821655291 606690203 /nfs/dbraw/zinc/69/02/03/606690203.db2.gz ITUVZYSAWGZLHZ-JQWIXIFHSA-N -1 3 375.385 0.522 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000819857028 606691533 /nfs/dbraw/zinc/69/15/33/606691533.db2.gz ODLCZFOQQKPKJZ-ZDUSSCGKSA-N -1 3 384.444 0.030 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000819857028 606691534 /nfs/dbraw/zinc/69/15/34/606691534.db2.gz ODLCZFOQQKPKJZ-ZDUSSCGKSA-N -1 3 384.444 0.030 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823155234 606691553 /nfs/dbraw/zinc/69/15/53/606691553.db2.gz PQAHZSAFQHOVTE-UHFFFAOYSA-N -1 3 393.351 0.239 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823155234 606691554 /nfs/dbraw/zinc/69/15/54/606691554.db2.gz PQAHZSAFQHOVTE-UHFFFAOYSA-N -1 3 393.351 0.239 20 0 GCADHM Cc1oc(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1S(N)(=O)=O ZINC000822540483 606693512 /nfs/dbraw/zinc/69/35/12/606693512.db2.gz BMZVCTFATHGSJW-QMMMGPOBSA-N -1 3 376.398 0.907 20 0 GCADHM Cc1oc(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1S(N)(=O)=O ZINC000822540483 606693513 /nfs/dbraw/zinc/69/35/13/606693513.db2.gz BMZVCTFATHGSJW-QMMMGPOBSA-N -1 3 376.398 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000819857587 606694686 /nfs/dbraw/zinc/69/46/86/606694686.db2.gz SSAXTTOKGDVJNN-LBPRGKRZSA-N -1 3 389.485 0.697 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000819857587 606694687 /nfs/dbraw/zinc/69/46/87/606694687.db2.gz SSAXTTOKGDVJNN-LBPRGKRZSA-N -1 3 389.485 0.697 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H](CCO)c1ccccc1 ZINC000823005134 606698623 /nfs/dbraw/zinc/69/86/23/606698623.db2.gz DBEKNFSXQIFOBC-QGZVFWFLSA-N -1 3 394.435 0.879 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H](CCO)c1ccccc1 ZINC000823005134 606698625 /nfs/dbraw/zinc/69/86/25/606698625.db2.gz DBEKNFSXQIFOBC-QGZVFWFLSA-N -1 3 394.435 0.879 20 0 GCADHM CN(CCOCC1CC1)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000821603855 606705874 /nfs/dbraw/zinc/70/58/74/606705874.db2.gz RFSCPJFXKUWHBO-LJQANCHMSA-N -1 3 399.455 0.950 20 0 GCADHM CN(CCOCC1CC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000821603855 606705875 /nfs/dbraw/zinc/70/58/75/606705875.db2.gz RFSCPJFXKUWHBO-LJQANCHMSA-N -1 3 399.455 0.950 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(CC[S@@](C)=O)CC1 ZINC000821652143 606707111 /nfs/dbraw/zinc/70/71/11/606707111.db2.gz MVDOPOSUWFICKU-KUNJGFBQSA-N -1 3 392.485 0.077 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(CC[S@@](C)=O)CC1 ZINC000821652143 606707112 /nfs/dbraw/zinc/70/71/12/606707112.db2.gz MVDOPOSUWFICKU-KUNJGFBQSA-N -1 3 392.485 0.077 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC[S@@](C)=O)CC1 ZINC000821650280 606707115 /nfs/dbraw/zinc/70/71/15/606707115.db2.gz NZGYYAIVCPFNRV-KUNJGFBQSA-N -1 3 392.485 0.077 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC[S@@](C)=O)CC1 ZINC000821650280 606707116 /nfs/dbraw/zinc/70/71/16/606707116.db2.gz NZGYYAIVCPFNRV-KUNJGFBQSA-N -1 3 392.485 0.077 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC[S@](C)=O)CC1 ZINC000821650281 606707419 /nfs/dbraw/zinc/70/74/19/606707419.db2.gz NZGYYAIVCPFNRV-QZXCRCNTSA-N -1 3 392.485 0.077 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC[S@](C)=O)CC1 ZINC000821650281 606707421 /nfs/dbraw/zinc/70/74/21/606707421.db2.gz NZGYYAIVCPFNRV-QZXCRCNTSA-N -1 3 392.485 0.077 20 0 GCADHM CCOC(=O)COCCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821330390 606721079 /nfs/dbraw/zinc/72/10/79/606721079.db2.gz KEUZZLOHZNPLIY-UHFFFAOYSA-N -1 3 378.408 0.708 20 0 GCADHM O=S(=O)(N1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1)C(F)(F)F ZINC000823567881 606730598 /nfs/dbraw/zinc/73/05/98/606730598.db2.gz WSUKJDRBXBJKPA-UHFFFAOYSA-N -1 3 377.352 0.988 20 0 GCADHM O=S(=O)(N1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1)C(F)(F)F ZINC000823567881 606730599 /nfs/dbraw/zinc/73/05/99/606730599.db2.gz WSUKJDRBXBJKPA-UHFFFAOYSA-N -1 3 377.352 0.988 20 0 GCADHM COc1ccsc1S(=O)(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000821911523 606733169 /nfs/dbraw/zinc/73/31/69/606733169.db2.gz WQEGGYYLQPQDCQ-UHFFFAOYSA-N -1 3 381.443 0.722 20 0 GCADHM COc1ccsc1S(=O)(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000821911523 606733170 /nfs/dbraw/zinc/73/31/70/606733170.db2.gz WQEGGYYLQPQDCQ-UHFFFAOYSA-N -1 3 381.443 0.722 20 0 GCADHM O=C(NC[C@@H](O)C(F)(F)F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823167222 606734812 /nfs/dbraw/zinc/73/48/12/606734812.db2.gz ZHKPKXLMSFRKOI-MRVPVSSYSA-N -1 3 378.698 0.498 20 0 GCADHM O=C(NC[C@@H](O)C(F)(F)F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823167222 606734813 /nfs/dbraw/zinc/73/48/13/606734813.db2.gz ZHKPKXLMSFRKOI-MRVPVSSYSA-N -1 3 378.698 0.498 20 0 GCADHM NC(=O)CC1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000822864623 606736568 /nfs/dbraw/zinc/73/65/68/606736568.db2.gz GLLGWZBHRORTQH-UHFFFAOYSA-N -1 3 391.819 0.573 20 0 GCADHM NC(=O)CC1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000822864623 606736570 /nfs/dbraw/zinc/73/65/70/606736570.db2.gz GLLGWZBHRORTQH-UHFFFAOYSA-N -1 3 391.819 0.573 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000819921796 606737082 /nfs/dbraw/zinc/73/70/82/606737082.db2.gz AIYYCOBXANWGMB-UHFFFAOYSA-N -1 3 393.835 0.880 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000819921796 606737084 /nfs/dbraw/zinc/73/70/84/606737084.db2.gz AIYYCOBXANWGMB-UHFFFAOYSA-N -1 3 393.835 0.880 20 0 GCADHM CC(C)(C)C(=O)NCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000819899212 606737088 /nfs/dbraw/zinc/73/70/88/606737088.db2.gz PICPYMKJYSTDMJ-UHFFFAOYSA-N -1 3 393.835 0.737 20 0 GCADHM CC(C)(C)C(=O)NCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000819899212 606737089 /nfs/dbraw/zinc/73/70/89/606737089.db2.gz PICPYMKJYSTDMJ-UHFFFAOYSA-N -1 3 393.835 0.737 20 0 GCADHM CCc1nc(CCNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)no1 ZINC000821506659 606737702 /nfs/dbraw/zinc/73/77/02/606737702.db2.gz ZZSBMQCNFALZCU-UHFFFAOYSA-N -1 3 390.791 0.763 20 0 GCADHM CCc1nc(CCNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)no1 ZINC000821506659 606737703 /nfs/dbraw/zinc/73/77/03/606737703.db2.gz ZZSBMQCNFALZCU-UHFFFAOYSA-N -1 3 390.791 0.763 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820967032 606737966 /nfs/dbraw/zinc/73/79/66/606737966.db2.gz KRNVJTNYLSCWRK-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820967032 606737969 /nfs/dbraw/zinc/73/79/69/606737969.db2.gz KRNVJTNYLSCWRK-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000821286690 606738031 /nfs/dbraw/zinc/73/80/31/606738031.db2.gz WHQOHRXPZBJRQN-GFCCVEGCSA-N -1 3 379.446 0.257 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000821286690 606738033 /nfs/dbraw/zinc/73/80/33/606738033.db2.gz WHQOHRXPZBJRQN-GFCCVEGCSA-N -1 3 379.446 0.257 20 0 GCADHM CS(=O)(=O)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821920270 606738281 /nfs/dbraw/zinc/73/82/81/606738281.db2.gz OZRORJLXDMKOSL-UHFFFAOYSA-N -1 3 385.471 0.206 20 0 GCADHM CS(=O)(=O)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821920270 606738282 /nfs/dbraw/zinc/73/82/82/606738282.db2.gz OZRORJLXDMKOSL-UHFFFAOYSA-N -1 3 385.471 0.206 20 0 GCADHM Cc1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)[nH]1 ZINC000822435983 606738501 /nfs/dbraw/zinc/73/85/01/606738501.db2.gz DPFFHMVILVOJAX-SNVBAGLBSA-N -1 3 375.418 0.257 20 0 GCADHM O=C(NCCCN1CCOC1=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823190700 606738520 /nfs/dbraw/zinc/73/85/20/606738520.db2.gz DCWJBHXRNOUIJU-UHFFFAOYSA-N -1 3 393.791 0.417 20 0 GCADHM O=C(NCCCN1CCOC1=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823190700 606738522 /nfs/dbraw/zinc/73/85/22/606738522.db2.gz DCWJBHXRNOUIJU-UHFFFAOYSA-N -1 3 393.791 0.417 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821696946 606739495 /nfs/dbraw/zinc/73/94/95/606739495.db2.gz VIBOEWLOLYZSBY-LBPRGKRZSA-N -1 3 390.429 0.418 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821696946 606739496 /nfs/dbraw/zinc/73/94/96/606739496.db2.gz VIBOEWLOLYZSBY-LBPRGKRZSA-N -1 3 390.429 0.418 20 0 GCADHM Cn1cc([C@@]2(C)CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822673989 606739591 /nfs/dbraw/zinc/73/95/91/606739591.db2.gz IOKBNZAPBZOBRR-MRXNPFEDSA-N -1 3 389.441 0.537 20 0 GCADHM Cn1cc([C@@]2(C)CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822673989 606739593 /nfs/dbraw/zinc/73/95/93/606739593.db2.gz IOKBNZAPBZOBRR-MRXNPFEDSA-N -1 3 389.441 0.537 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820308812 606742955 /nfs/dbraw/zinc/74/29/55/606742955.db2.gz YVCWTUNRNLLRDN-QMMMGPOBSA-N -1 3 375.780 0.255 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820308812 606742957 /nfs/dbraw/zinc/74/29/57/606742957.db2.gz YVCWTUNRNLLRDN-QMMMGPOBSA-N -1 3 375.780 0.255 20 0 GCADHM O=C(NC[C@@]1(O)CCSC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823171243 606743302 /nfs/dbraw/zinc/74/33/02/606743302.db2.gz RKSIDZWEYQJZBZ-AWEZNQCLSA-N -1 3 382.833 0.443 20 0 GCADHM O=C(NC[C@@]1(O)CCSC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823171243 606743304 /nfs/dbraw/zinc/74/33/04/606743304.db2.gz RKSIDZWEYQJZBZ-AWEZNQCLSA-N -1 3 382.833 0.443 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000821655121 606743346 /nfs/dbraw/zinc/74/33/46/606743346.db2.gz FRKBWWDYDVBKHK-JTQLQIEISA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000821655121 606743348 /nfs/dbraw/zinc/74/33/48/606743348.db2.gz FRKBWWDYDVBKHK-JTQLQIEISA-N -1 3 392.803 0.870 20 0 GCADHM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000822864674 606743587 /nfs/dbraw/zinc/74/35/87/606743587.db2.gz HUNCTXTXAJHWOC-VIFPVBQESA-N -1 3 391.819 0.573 20 0 GCADHM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000822864674 606743589 /nfs/dbraw/zinc/74/35/89/606743589.db2.gz HUNCTXTXAJHWOC-VIFPVBQESA-N -1 3 391.819 0.573 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821948566 606743700 /nfs/dbraw/zinc/74/37/00/606743700.db2.gz CQXHCDRBYDEPGV-HQJQHLMTSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821948566 606743702 /nfs/dbraw/zinc/74/37/02/606743702.db2.gz CQXHCDRBYDEPGV-HQJQHLMTSA-N -1 3 384.849 0.687 20 0 GCADHM CSC[C@@H](CCO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821955958 606743713 /nfs/dbraw/zinc/74/37/13/606743713.db2.gz CRZDYTCNSIPIIH-SECBINFHSA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@@H](CCO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821955958 606743715 /nfs/dbraw/zinc/74/37/15/606743715.db2.gz CRZDYTCNSIPIIH-SECBINFHSA-N -1 3 384.849 0.689 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@H]1CCCn2ncnc21 ZINC000823290267 606743879 /nfs/dbraw/zinc/74/38/79/606743879.db2.gz VOMSIXOOOZIKQI-JTQLQIEISA-N -1 3 387.791 0.701 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@H]1CCCn2ncnc21 ZINC000823290267 606743881 /nfs/dbraw/zinc/74/38/81/606743881.db2.gz VOMSIXOOOZIKQI-JTQLQIEISA-N -1 3 387.791 0.701 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821696395 606743898 /nfs/dbraw/zinc/74/38/98/606743898.db2.gz BTBGIZMFXTZKGD-ZDUSSCGKSA-N -1 3 383.416 0.939 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821696395 606743900 /nfs/dbraw/zinc/74/39/00/606743900.db2.gz BTBGIZMFXTZKGD-ZDUSSCGKSA-N -1 3 383.416 0.939 20 0 GCADHM CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821286027 606744371 /nfs/dbraw/zinc/74/43/71/606744371.db2.gz NSITUESLUQKECQ-HOCLYGCPSA-N -1 3 398.471 0.756 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821509127 606744622 /nfs/dbraw/zinc/74/46/22/606744622.db2.gz CZGGNBVNAFBVMH-ZDUSSCGKSA-N -1 3 388.457 0.975 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821509127 606744624 /nfs/dbraw/zinc/74/46/24/606744624.db2.gz CZGGNBVNAFBVMH-ZDUSSCGKSA-N -1 3 388.457 0.975 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H]1C ZINC000821656887 606744828 /nfs/dbraw/zinc/74/48/28/606744828.db2.gz BGRXPDVDEXUKHG-KCJUWKMLSA-N -1 3 385.833 0.950 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H]1C ZINC000821656887 606744830 /nfs/dbraw/zinc/74/48/30/606744830.db2.gz BGRXPDVDEXUKHG-KCJUWKMLSA-N -1 3 385.833 0.950 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC(S(C)(=O)=O)CC1 ZINC000819875702 606752719 /nfs/dbraw/zinc/75/27/19/606752719.db2.gz BWAUYOFSQORSGR-LLVKDONJSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC(S(C)(=O)=O)CC1 ZINC000819875702 606752720 /nfs/dbraw/zinc/75/27/20/606752720.db2.gz BWAUYOFSQORSGR-LLVKDONJSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000820533833 606753634 /nfs/dbraw/zinc/75/36/34/606753634.db2.gz HBNWDWCCODTJAH-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000820533833 606753636 /nfs/dbraw/zinc/75/36/36/606753636.db2.gz HBNWDWCCODTJAH-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM Cn1cc([C@]2(C)CN(C[C@@H](O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822669857 606757875 /nfs/dbraw/zinc/75/78/75/606757875.db2.gz SGPAIZHUMBUPJR-APWZRJJASA-N -1 3 399.455 0.588 20 0 GCADHM CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821326245 606758218 /nfs/dbraw/zinc/75/82/18/606758218.db2.gz VTUHKNQCJSFSLM-MRVPVSSYSA-N -1 3 380.792 0.917 20 0 GCADHM CCOC(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821326245 606758220 /nfs/dbraw/zinc/75/82/20/606758220.db2.gz VTUHKNQCJSFSLM-MRVPVSSYSA-N -1 3 380.792 0.917 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000819867059 606761008 /nfs/dbraw/zinc/76/10/08/606761008.db2.gz QVBFAGZUYWNDIL-KMUNFCNLSA-N -1 3 391.863 0.862 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000819867059 606761010 /nfs/dbraw/zinc/76/10/10/606761010.db2.gz QVBFAGZUYWNDIL-KMUNFCNLSA-N -1 3 391.863 0.862 20 0 GCADHM O=C(O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)[C@H]1CCNC(=O)C1 ZINC000823521099 606762232 /nfs/dbraw/zinc/76/22/32/606762232.db2.gz PZAOPUMRPPCZRR-WCBMZHEXSA-N -1 3 376.398 0.103 20 0 GCADHM O=C(O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)[C@H]1CCNC(=O)C1 ZINC000823521099 606762234 /nfs/dbraw/zinc/76/22/34/606762234.db2.gz PZAOPUMRPPCZRR-WCBMZHEXSA-N -1 3 376.398 0.103 20 0 GCADHM CCOC(=O)CN1CCC[C@H](OC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821330033 606762536 /nfs/dbraw/zinc/76/25/36/606762536.db2.gz BPTLADUFEVCGOD-HNNXBMFYSA-N -1 3 389.412 0.816 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C[C@H]21 ZINC000821628743 606762591 /nfs/dbraw/zinc/76/25/91/606762591.db2.gz PCVDTMAAAJWSNR-OLZOCXBDSA-N -1 3 391.819 0.000 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C[C@H]21 ZINC000821628743 606762592 /nfs/dbraw/zinc/76/25/92/606762592.db2.gz PCVDTMAAAJWSNR-OLZOCXBDSA-N -1 3 391.819 0.000 20 0 GCADHM Cn1cnnc1C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822705158 606763865 /nfs/dbraw/zinc/76/38/65/606763865.db2.gz XOEDDEXTABVJRQ-UHFFFAOYSA-N -1 3 392.420 0.703 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821932666 606765210 /nfs/dbraw/zinc/76/52/10/606765210.db2.gz OYKPLRPWWWLQPF-PWSUYJOCSA-N -1 3 395.514 0.871 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821932666 606765211 /nfs/dbraw/zinc/76/52/11/606765211.db2.gz OYKPLRPWWWLQPF-PWSUYJOCSA-N -1 3 395.514 0.871 20 0 GCADHM Cc1nnc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)C2)[nH]1 ZINC000822436809 606766526 /nfs/dbraw/zinc/76/65/26/606766526.db2.gz RJNYCOAWPBQCLU-JTQLQIEISA-N -1 3 399.390 0.777 20 0 GCADHM Cn1cc([C@@]2(C)CN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822669768 606766722 /nfs/dbraw/zinc/76/67/22/606766722.db2.gz OQLSADWGQUORLR-GOSISDBHSA-N -1 3 383.412 0.753 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822669721 606768460 /nfs/dbraw/zinc/76/84/60/606768460.db2.gz MSHDRISLKUZNHX-SFHVURJKSA-N -1 3 396.411 0.313 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822669721 606768461 /nfs/dbraw/zinc/76/84/61/606768461.db2.gz MSHDRISLKUZNHX-SFHVURJKSA-N -1 3 396.411 0.313 20 0 GCADHM O=C1C[C@]2(CCOC2)CN1CN1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823525830 606768501 /nfs/dbraw/zinc/76/85/01/606768501.db2.gz UQRAFWCMBPKDLP-HXUWFJFHSA-N -1 3 397.483 0.975 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821933288 606768705 /nfs/dbraw/zinc/76/87/05/606768705.db2.gz ZGPSBOVDMNLTIW-YPMHNXCESA-N -1 3 379.446 0.706 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821933288 606768706 /nfs/dbraw/zinc/76/87/06/606768706.db2.gz ZGPSBOVDMNLTIW-YPMHNXCESA-N -1 3 379.446 0.706 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](CO)Cc1ccccc1 ZINC000823005562 606769351 /nfs/dbraw/zinc/76/93/51/606769351.db2.gz WLFHCKVPJOLPPT-OAHLLOKOSA-N -1 3 394.435 0.564 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](CO)Cc1ccccc1 ZINC000823005562 606769352 /nfs/dbraw/zinc/76/93/52/606769352.db2.gz WLFHCKVPJOLPPT-OAHLLOKOSA-N -1 3 394.435 0.564 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H](CO)Cc1ccccc1 ZINC000823005561 606769409 /nfs/dbraw/zinc/76/94/09/606769409.db2.gz WLFHCKVPJOLPPT-HNNXBMFYSA-N -1 3 394.435 0.564 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H](CO)Cc1ccccc1 ZINC000823005561 606769411 /nfs/dbraw/zinc/76/94/11/606769411.db2.gz WLFHCKVPJOLPPT-HNNXBMFYSA-N -1 3 394.435 0.564 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000821406152 606770461 /nfs/dbraw/zinc/77/04/61/606770461.db2.gz AOKYXMNMLDGFSH-UHFFFAOYSA-N -1 3 389.416 0.586 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000821406152 606770462 /nfs/dbraw/zinc/77/04/62/606770462.db2.gz AOKYXMNMLDGFSH-UHFFFAOYSA-N -1 3 389.416 0.586 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](CC(N)=O)C1CCOCC1 ZINC000821763016 606770730 /nfs/dbraw/zinc/77/07/30/606770730.db2.gz SIPQBIFXYRFPFE-LBPRGKRZSA-N -1 3 389.416 0.667 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](CC(N)=O)C1CCOCC1 ZINC000821763016 606770732 /nfs/dbraw/zinc/77/07/32/606770732.db2.gz SIPQBIFXYRFPFE-LBPRGKRZSA-N -1 3 389.416 0.667 20 0 GCADHM Cc1oc(NC(=O)CN2CCO[C@@H]([C@@H]3CCCO3)C2)c(-c2nnn[n-]2)c1C 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OBEXSPYHLUXOEZ-INIZCTEOSA-N -1 3 394.819 0.364 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821933183 606819154 /nfs/dbraw/zinc/81/91/54/606819154.db2.gz WNELESGTZAOCTE-JSGCOSHPSA-N -1 3 394.457 0.080 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@@]1(CCO)CCOC1 ZINC000821700778 606819179 /nfs/dbraw/zinc/81/91/79/606819179.db2.gz XHIXAOBGFWVHEP-QGZVFWFLSA-N -1 3 377.401 0.159 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@]1(CCO)CCOC1 ZINC000821700778 606819180 /nfs/dbraw/zinc/81/91/80/606819180.db2.gz XHIXAOBGFWVHEP-QGZVFWFLSA-N -1 3 377.401 0.159 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821932685 606819286 /nfs/dbraw/zinc/81/92/86/606819286.db2.gz PIMJIGIQSHRTFG-SNJODYKJSA-N -1 3 390.469 0.714 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821932685 606819287 /nfs/dbraw/zinc/81/92/87/606819287.db2.gz PIMJIGIQSHRTFG-SNJODYKJSA-N -1 3 390.469 0.714 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccn2ccnc2c1 ZINC000823005234 606819711 /nfs/dbraw/zinc/81/97/11/606819711.db2.gz ICMCEGWYRQMKCD-UHFFFAOYSA-N -1 3 376.380 0.561 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccn2ccnc2c1 ZINC000823005234 606819712 /nfs/dbraw/zinc/81/97/12/606819712.db2.gz ICMCEGWYRQMKCD-UHFFFAOYSA-N -1 3 376.380 0.561 20 0 GCADHM COCCOc1ccc(CNC(=O)Cn2nc(C)c(-c3nnn[n-]3)c2N)cc1 ZINC000821693541 606826490 /nfs/dbraw/zinc/82/64/90/606826490.db2.gz CUBNVRLDZPHRFW-UHFFFAOYSA-N -1 3 386.416 0.295 20 0 GCADHM COCCOc1ccc(CNC(=O)Cn2nc(C)c(-c3nn[n-]n3)c2N)cc1 ZINC000821693541 606826492 /nfs/dbraw/zinc/82/64/92/606826492.db2.gz CUBNVRLDZPHRFW-UHFFFAOYSA-N -1 3 386.416 0.295 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)nn1 ZINC000820499997 606831477 /nfs/dbraw/zinc/83/14/77/606831477.db2.gz BIHHQJOQPNFSSW-ZJUUUORDSA-N -1 3 386.372 0.082 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)nn1 ZINC000820499997 606831479 /nfs/dbraw/zinc/83/14/79/606831479.db2.gz BIHHQJOQPNFSSW-ZJUUUORDSA-N -1 3 386.372 0.082 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000820501757 606831632 /nfs/dbraw/zinc/83/16/32/606831632.db2.gz KSWYBESKZIAVNU-ZJUUUORDSA-N -1 3 386.372 0.082 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000820501757 606831634 /nfs/dbraw/zinc/83/16/34/606831634.db2.gz KSWYBESKZIAVNU-ZJUUUORDSA-N -1 3 386.372 0.082 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821931380 606836426 /nfs/dbraw/zinc/83/64/26/606836426.db2.gz CSCRMOCHAAMTOU-SKDRFNHKSA-N -1 3 397.436 0.845 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821931380 606836428 /nfs/dbraw/zinc/83/64/28/606836428.db2.gz CSCRMOCHAAMTOU-SKDRFNHKSA-N -1 3 397.436 0.845 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cnn1C ZINC000822045798 606837894 /nfs/dbraw/zinc/83/78/94/606837894.db2.gz 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O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823333138 606838646 /nfs/dbraw/zinc/83/86/46/606838646.db2.gz YKPPEGZDPLAWSO-KBPBESRZSA-N -1 3 390.375 0.351 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823333138 606838649 /nfs/dbraw/zinc/83/86/49/606838649.db2.gz YKPPEGZDPLAWSO-KBPBESRZSA-N -1 3 390.375 0.351 20 0 GCADHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000820862677 606839258 /nfs/dbraw/zinc/83/92/58/606839258.db2.gz QZIFTHJWXNTRES-MWLCHTKSSA-N -1 3 394.461 0.136 20 0 GCADHM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000820862677 606839260 /nfs/dbraw/zinc/83/92/60/606839260.db2.gz QZIFTHJWXNTRES-MWLCHTKSSA-N -1 3 394.461 0.136 20 0 GCADHM CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821613625 606842858 /nfs/dbraw/zinc/84/28/58/606842858.db2.gz VSDGNVOTVAWJBT-UHFFFAOYSA-N -1 3 390.400 0.925 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C2 ZINC000821552998 606844074 /nfs/dbraw/zinc/84/40/74/606844074.db2.gz DJAAHCRPJWZRAS-UHFFFAOYSA-N -1 3 378.393 0.364 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000822146811 606846819 /nfs/dbraw/zinc/84/68/19/606846819.db2.gz ZTMLTAYISHOUES-ZIAGYGMSSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000822146811 606846820 /nfs/dbraw/zinc/84/68/20/606846820.db2.gz ZTMLTAYISHOUES-ZIAGYGMSSA-N -1 3 379.442 0.744 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823606259 606847425 /nfs/dbraw/zinc/84/74/25/606847425.db2.gz HSTMNBZZVVAGMI-CHWSQXEVSA-N -1 3 383.405 0.574 20 0 GCADHM CCN(CC)C(=O)CN1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821175059 606848868 /nfs/dbraw/zinc/84/88/68/606848868.db2.gz BGUQPIOBPSAZDH-KRWDZBQOSA-N -1 3 387.488 0.386 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819857313 606849962 /nfs/dbraw/zinc/84/99/62/606849962.db2.gz QXNSZJPENDMKOZ-SUMWQHHRSA-N -1 3 385.472 0.185 20 0 GCADHM CC(C)COC[C@H](O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820103451 606852887 /nfs/dbraw/zinc/85/28/87/606852887.db2.gz ZZYAJSCQACNYBF-UONOGXRCSA-N -1 3 376.465 0.201 20 0 GCADHM Cn1ccnc1CN1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000822699314 606858983 /nfs/dbraw/zinc/85/89/83/606858983.db2.gz VQNRYDABLGJNSX-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM Cn1ccnc1CN1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000822699314 606858984 /nfs/dbraw/zinc/85/89/84/606858984.db2.gz VQNRYDABLGJNSX-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM COc1ccnc(N2CCN(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000821904155 606859349 /nfs/dbraw/zinc/85/93/49/606859349.db2.gz RULQDIPRFUGPQP-HNNXBMFYSA-N -1 3 382.428 0.521 20 0 GCADHM O[C@H](CN1CCN(c2ccc3nncn3n2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681271 606860819 /nfs/dbraw/zinc/86/08/19/606860819.db2.gz CSPRIKHMUWMGCR-OAHLLOKOSA-N -1 3 392.427 0.160 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000819923410 606861477 /nfs/dbraw/zinc/86/14/77/606861477.db2.gz ZYXVSMOBPPNBSQ-HUUCEWRRSA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000819923410 606861478 /nfs/dbraw/zinc/86/14/78/606861478.db2.gz ZYXVSMOBPPNBSQ-HUUCEWRRSA-N -1 3 375.429 0.943 20 0 GCADHM COCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696586 606862871 /nfs/dbraw/zinc/86/28/71/606862871.db2.gz IQWXIFPIGJUWFH-CZUORRHYSA-N -1 3 398.427 0.423 20 0 GCADHM COCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696586 606862872 /nfs/dbraw/zinc/86/28/72/606862872.db2.gz IQWXIFPIGJUWFH-CZUORRHYSA-N -1 3 398.427 0.423 20 0 GCADHM COCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696458 606863114 /nfs/dbraw/zinc/86/31/14/606863114.db2.gz DIFQDMLECAICDP-CJNGLKHVSA-N -1 3 398.427 0.423 20 0 GCADHM COCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696458 606863116 /nfs/dbraw/zinc/86/31/16/606863116.db2.gz DIFQDMLECAICDP-CJNGLKHVSA-N -1 3 398.427 0.423 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CCN2C1=O ZINC000821240793 606864346 /nfs/dbraw/zinc/86/43/46/606864346.db2.gz JDZWHJHIZWEFIH-SMDDNHRTSA-N -1 3 398.427 0.606 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CCN2C1=O ZINC000821240793 606864349 /nfs/dbraw/zinc/86/43/49/606864349.db2.gz JDZWHJHIZWEFIH-SMDDNHRTSA-N -1 3 398.427 0.606 20 0 GCADHM CN(C)S(=O)(=O)c1cnn(CCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821588203 606868401 /nfs/dbraw/zinc/86/84/01/606868401.db2.gz HBHXEOCZMXQRQU-UHFFFAOYSA-N -1 3 377.430 0.783 20 0 GCADHM CN(C)S(=O)(=O)c1cnn(CCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821588203 606868403 /nfs/dbraw/zinc/86/84/03/606868403.db2.gz HBHXEOCZMXQRQU-UHFFFAOYSA-N -1 3 377.430 0.783 20 0 GCADHM NC(=O)[C@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822851534 606869371 /nfs/dbraw/zinc/86/93/71/606869371.db2.gz YMIRSKFXXJUVLI-GFCCVEGCSA-N -1 3 380.334 0.942 20 0 GCADHM NC(=O)[C@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822851534 606869372 /nfs/dbraw/zinc/86/93/72/606869372.db2.gz YMIRSKFXXJUVLI-GFCCVEGCSA-N -1 3 380.334 0.942 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696847 606871314 /nfs/dbraw/zinc/87/13/14/606871314.db2.gz RMFXHMKDTBUWBV-BXUZGUMPSA-N -1 3 397.443 0.980 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696847 606871315 /nfs/dbraw/zinc/87/13/15/606871315.db2.gz RMFXHMKDTBUWBV-BXUZGUMPSA-N -1 3 397.443 0.980 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696745 606875949 /nfs/dbraw/zinc/87/59/49/606875949.db2.gz OKOIYQJWCVGNNA-AWEZNQCLSA-N -1 3 397.443 0.761 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696745 606875950 /nfs/dbraw/zinc/87/59/50/606875950.db2.gz OKOIYQJWCVGNNA-AWEZNQCLSA-N -1 3 397.443 0.761 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@H](Oc3ccccn3)C2)c(-c2nnn[n-]2)c1 ZINC000822895397 606878893 /nfs/dbraw/zinc/87/88/93/606878893.db2.gz QORCNCPTOAYOBR-NSHDSACASA-N -1 3 387.425 0.567 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@H](Oc3ccccn3)C2)c(-c2nn[n-]n2)c1 ZINC000822895397 606878894 /nfs/dbraw/zinc/87/88/94/606878894.db2.gz QORCNCPTOAYOBR-NSHDSACASA-N -1 3 387.425 0.567 20 0 GCADHM C[C@H](CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)CS(C)(=O)=O ZINC000820259735 606880571 /nfs/dbraw/zinc/88/05/71/606880571.db2.gz BSERKMBNEXOUIG-GFCCVEGCSA-N -1 3 382.465 0.809 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821575801 606884754 /nfs/dbraw/zinc/88/47/54/606884754.db2.gz PMRCFUIWGHJGMM-LLVKDONJSA-N -1 3 386.384 0.386 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821575801 606884756 /nfs/dbraw/zinc/88/47/56/606884756.db2.gz PMRCFUIWGHJGMM-LLVKDONJSA-N -1 3 386.384 0.386 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000822911942 606885177 /nfs/dbraw/zinc/88/51/77/606885177.db2.gz FOJGNGGQVHHLDY-UHFFFAOYSA-N -1 3 398.395 0.388 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000822911942 606885180 /nfs/dbraw/zinc/88/51/80/606885180.db2.gz FOJGNGGQVHHLDY-UHFFFAOYSA-N -1 3 398.395 0.388 20 0 GCADHM CN(C)S(=O)(=O)N1CCN(CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821588392 606885554 /nfs/dbraw/zinc/88/55/54/606885554.db2.gz PYHHGAIRUAGDOQ-UHFFFAOYSA-N -1 3 395.489 0.060 20 0 GCADHM CN(C)S(=O)(=O)N1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821588392 606885555 /nfs/dbraw/zinc/88/55/55/606885555.db2.gz PYHHGAIRUAGDOQ-UHFFFAOYSA-N -1 3 395.489 0.060 20 0 GCADHM NC(=O)Cc1cccc(OS(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822873636 606888805 /nfs/dbraw/zinc/88/88/05/606888805.db2.gz FIADMNZENPPNLC-UHFFFAOYSA-N -1 3 395.347 0.940 20 0 GCADHM NC(=O)Cc1cccc(OS(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822873636 606888806 /nfs/dbraw/zinc/88/88/06/606888806.db2.gz FIADMNZENPPNLC-UHFFFAOYSA-N -1 3 395.347 0.940 20 0 GCADHM CS(=O)(=O)NCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821937807 606890112 /nfs/dbraw/zinc/89/01/12/606890112.db2.gz REAWQXKRGVKDDH-UHFFFAOYSA-N -1 3 379.320 0.592 20 0 GCADHM CS(=O)(=O)NCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821937807 606890114 /nfs/dbraw/zinc/89/01/14/606890114.db2.gz REAWQXKRGVKDDH-UHFFFAOYSA-N -1 3 379.320 0.592 20 0 GCADHM O=S(=O)([N-][C@@H]1CCN(CC2CC2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573298 606890715 /nfs/dbraw/zinc/89/07/15/606890715.db2.gz UEOXMOIZZYOOEH-LLVKDONJSA-N -1 3 384.412 0.908 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000822224131 606898132 /nfs/dbraw/zinc/89/81/32/606898132.db2.gz XFYMZFCMXCIMBD-OLZOCXBDSA-N -1 3 378.458 0.888 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000822224131 606898134 /nfs/dbraw/zinc/89/81/34/606898134.db2.gz XFYMZFCMXCIMBD-OLZOCXBDSA-N -1 3 378.458 0.888 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000822224132 606898177 /nfs/dbraw/zinc/89/81/77/606898177.db2.gz XFYMZFCMXCIMBD-QWHCGFSZSA-N -1 3 378.458 0.888 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000822224132 606898179 /nfs/dbraw/zinc/89/81/79/606898179.db2.gz XFYMZFCMXCIMBD-QWHCGFSZSA-N -1 3 378.458 0.888 20 0 GCADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)N1CCNC1=O ZINC000820511692 606900472 /nfs/dbraw/zinc/90/04/72/606900472.db2.gz AYNKDAZTCVNIOX-SSDOTTSWSA-N -1 3 398.301 0.983 20 0 GCADHM C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)N1CCNC1=O ZINC000820511692 606900473 /nfs/dbraw/zinc/90/04/73/606900473.db2.gz AYNKDAZTCVNIOX-SSDOTTSWSA-N -1 3 398.301 0.983 20 0 GCADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)N1CCNC1=O ZINC000820511695 606900695 /nfs/dbraw/zinc/90/06/95/606900695.db2.gz AYNKDAZTCVNIOX-ZETCQYMHSA-N -1 3 398.301 0.983 20 0 GCADHM C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)N1CCNC1=O ZINC000820511695 606900697 /nfs/dbraw/zinc/90/06/97/606900697.db2.gz AYNKDAZTCVNIOX-ZETCQYMHSA-N -1 3 398.301 0.983 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)COc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696914 606904710 /nfs/dbraw/zinc/90/47/10/606904710.db2.gz UEYIKFBFOOGTSY-LBPRGKRZSA-N -1 3 384.400 0.115 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)COc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696914 606904712 /nfs/dbraw/zinc/90/47/12/606904712.db2.gz UEYIKFBFOOGTSY-LBPRGKRZSA-N -1 3 384.400 0.115 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CCN2C1=O ZINC000821239267 606906083 /nfs/dbraw/zinc/90/60/83/606906083.db2.gz AFORVVAIAPJXQW-LBPRGKRZSA-N -1 3 388.363 0.506 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CCN2C1=O ZINC000821239267 606906085 /nfs/dbraw/zinc/90/60/85/606906085.db2.gz AFORVVAIAPJXQW-LBPRGKRZSA-N -1 3 388.363 0.506 20 0 GCADHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O ZINC000820629237 606907067 /nfs/dbraw/zinc/90/70/67/606907067.db2.gz VKOJTZMSBMHOFQ-CQSZACIVSA-N -1 3 397.317 0.312 20 0 GCADHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O ZINC000820629237 606907069 /nfs/dbraw/zinc/90/70/69/606907069.db2.gz VKOJTZMSBMHOFQ-CQSZACIVSA-N -1 3 397.317 0.312 20 0 GCADHM CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000821522783 606909091 /nfs/dbraw/zinc/90/90/91/606909091.db2.gz NZFJSFWAFQQECB-UHFFFAOYSA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCC(NS(C)(=O)=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000821522783 606909092 /nfs/dbraw/zinc/90/90/92/606909092.db2.gz NZFJSFWAFQQECB-UHFFFAOYSA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821523587 606909125 /nfs/dbraw/zinc/90/91/25/606909125.db2.gz YLAYLQLNOGKRQB-CQSZACIVSA-N -1 3 386.460 0.609 20 0 GCADHM CCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821523587 606909126 /nfs/dbraw/zinc/90/91/26/606909126.db2.gz YLAYLQLNOGKRQB-CQSZACIVSA-N -1 3 386.460 0.609 20 0 GCADHM CCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821529145 606909284 /nfs/dbraw/zinc/90/92/84/606909284.db2.gz UDLRBCGOSKJAJM-GFCCVEGCSA-N -1 3 399.503 0.571 20 0 GCADHM CCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821529145 606909286 /nfs/dbraw/zinc/90/92/86/606909286.db2.gz UDLRBCGOSKJAJM-GFCCVEGCSA-N -1 3 399.503 0.571 20 0 GCADHM CCc1nnc(NCCCN(CC)S(C)(=O)=O)c(-c2nnn[n-]2)c1CC ZINC000821535832 606910921 /nfs/dbraw/zinc/91/09/21/606910921.db2.gz QHOJSPCDTMJYDG-UHFFFAOYSA-N -1 3 382.494 0.865 20 0 GCADHM CCc1nnc(NCCCN(CC)S(C)(=O)=O)c(-c2nn[n-]n2)c1CC ZINC000821535832 606910923 /nfs/dbraw/zinc/91/09/23/606910923.db2.gz QHOJSPCDTMJYDG-UHFFFAOYSA-N -1 3 382.494 0.865 20 0 GCADHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O ZINC000820628392 606912649 /nfs/dbraw/zinc/91/26/49/606912649.db2.gz BFWCDIOGLUEYHL-SFHVURJKSA-N -1 3 395.379 0.543 20 0 GCADHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O ZINC000820628392 606912650 /nfs/dbraw/zinc/91/26/50/606912650.db2.gz BFWCDIOGLUEYHL-SFHVURJKSA-N -1 3 395.379 0.543 20 0 GCADHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000820628363 606913915 /nfs/dbraw/zinc/91/39/15/606913915.db2.gz AIZHFFAMXPTTKQ-SFHVURJKSA-N -1 3 383.412 0.646 20 0 GCADHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000820628363 606913916 /nfs/dbraw/zinc/91/39/16/606913916.db2.gz AIZHFFAMXPTTKQ-SFHVURJKSA-N -1 3 383.412 0.646 20 0 GCADHM COCCN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821688876 606919388 /nfs/dbraw/zinc/91/93/88/606919388.db2.gz AFMOKKSDXNWPMT-CABCVRRESA-N -1 3 381.458 0.036 20 0 GCADHM COCCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821688876 606919390 /nfs/dbraw/zinc/91/93/90/606919390.db2.gz AFMOKKSDXNWPMT-CABCVRRESA-N -1 3 381.458 0.036 20 0 GCADHM COC(C)(C)CN(C)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000821672405 606924233 /nfs/dbraw/zinc/92/42/33/606924233.db2.gz JKOAUNJEUBVKKH-GOSISDBHSA-N 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C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN2C(=O)OC[C@H]2C1 ZINC000819866183 606933860 /nfs/dbraw/zinc/93/38/60/606933860.db2.gz KJVUEGFKOHTDGJ-GXSJLCMTSA-N -1 3 391.819 0.984 20 0 GCADHM CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H](C)C1 ZINC000819797289 606934307 /nfs/dbraw/zinc/93/43/07/606934307.db2.gz YPOQWGSZGDBLDU-SECBINFHSA-N -1 3 391.819 0.538 20 0 GCADHM CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H](C)C1 ZINC000819797289 606934309 /nfs/dbraw/zinc/93/43/09/606934309.db2.gz YPOQWGSZGDBLDU-SECBINFHSA-N -1 3 391.819 0.538 20 0 GCADHM O=C(CN1CCN2C(=O)OC[C@@H]2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823000602 606935450 /nfs/dbraw/zinc/93/54/50/606935450.db2.gz BFQJOZWPXMVBDP-JTQLQIEISA-N -1 3 377.792 0.595 20 0 GCADHM O=C(CN1CCN2C(=O)OC[C@@H]2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823000602 606935452 /nfs/dbraw/zinc/93/54/52/606935452.db2.gz BFQJOZWPXMVBDP-JTQLQIEISA-N -1 3 377.792 0.595 20 0 GCADHM CCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000821292866 606937864 /nfs/dbraw/zinc/93/78/64/606937864.db2.gz FTMGYWKQDUKYPQ-UHFFFAOYSA-N -1 3 387.425 0.490 20 0 GCADHM CCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821292866 606937866 /nfs/dbraw/zinc/93/78/66/606937866.db2.gz FTMGYWKQDUKYPQ-UHFFFAOYSA-N -1 3 387.425 0.490 20 0 GCADHM CCc1nnc(NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(-c2nnn[n-]2)c1CC ZINC000821536525 606942204 /nfs/dbraw/zinc/94/22/04/606942204.db2.gz VJDIFGXJWCZDOP-YPMLDQLKSA-N -1 3 399.459 0.914 20 0 GCADHM CCc1nnc(NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(-c2nn[n-]n2)c1CC ZINC000821536525 606942205 /nfs/dbraw/zinc/94/22/05/606942205.db2.gz VJDIFGXJWCZDOP-YPMLDQLKSA-N -1 3 399.459 0.914 20 0 GCADHM CCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821528127 606942561 /nfs/dbraw/zinc/94/25/61/606942561.db2.gz JUSTVAXLOLQDDQ-UHFFFAOYSA-N -1 3 382.432 0.368 20 0 GCADHM CCc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821528127 606942562 /nfs/dbraw/zinc/94/25/62/606942562.db2.gz JUSTVAXLOLQDDQ-UHFFFAOYSA-N -1 3 382.432 0.368 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000820032705 606942744 /nfs/dbraw/zinc/94/27/44/606942744.db2.gz PRRYYWKGJNZWQV-SWLSCSKDSA-N -1 3 386.412 0.933 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000820032705 606942747 /nfs/dbraw/zinc/94/27/47/606942747.db2.gz PRRYYWKGJNZWQV-SWLSCSKDSA-N -1 3 386.412 0.933 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000820032701 606943095 /nfs/dbraw/zinc/94/30/95/606943095.db2.gz PRRYYWKGJNZWQV-IUODEOHRSA-N -1 3 386.412 0.933 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000820032701 606943096 /nfs/dbraw/zinc/94/30/96/606943096.db2.gz PRRYYWKGJNZWQV-IUODEOHRSA-N -1 3 386.412 0.933 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 ZINC000822632109 606943635 /nfs/dbraw/zinc/94/36/35/606943635.db2.gz QWPHFKRQOJBSLJ-UHFFFAOYSA-N -1 3 388.409 0.648 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCOc2ccc(S(C)(=O)=O)cc21 ZINC000822632109 606943636 /nfs/dbraw/zinc/94/36/36/606943636.db2.gz QWPHFKRQOJBSLJ-UHFFFAOYSA-N -1 3 388.409 0.648 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@H]2N1 ZINC000823536009 606943771 /nfs/dbraw/zinc/94/37/71/606943771.db2.gz OTMFLYLXNGVSEV-ZIAGYGMSSA-N -1 3 376.442 0.440 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@H]2N1 ZINC000823536009 606943772 /nfs/dbraw/zinc/94/37/72/606943772.db2.gz OTMFLYLXNGVSEV-ZIAGYGMSSA-N -1 3 376.442 0.440 20 0 GCADHM O=C(CN1CCCS1(=O)=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822997014 606947062 /nfs/dbraw/zinc/94/70/62/606947062.db2.gz LBYKRANSTIFEDI-UHFFFAOYSA-N -1 3 381.414 0.214 20 0 GCADHM O=C(CN1CCCS1(=O)=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822997014 606947063 /nfs/dbraw/zinc/94/70/63/606947063.db2.gz LBYKRANSTIFEDI-UHFFFAOYSA-N -1 3 381.414 0.214 20 0 GCADHM O=C(Cc1nc2ncccn2n1)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823118562 606947165 /nfs/dbraw/zinc/94/71/65/606947165.db2.gz FXZQCDJSKVOWNI-UHFFFAOYSA-N -1 3 380.368 0.859 20 0 GCADHM O=C(Cc1nc2ncccn2n1)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823118562 606947166 /nfs/dbraw/zinc/94/71/66/606947166.db2.gz FXZQCDJSKVOWNI-UHFFFAOYSA-N -1 3 380.368 0.859 20 0 GCADHM CCN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821165016 606957250 /nfs/dbraw/zinc/95/72/50/606957250.db2.gz MXQDAKKFDREHQP-LLVKDONJSA-N -1 3 398.876 0.968 20 0 GCADHM CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821165016 606957252 /nfs/dbraw/zinc/95/72/52/606957252.db2.gz MXQDAKKFDREHQP-LLVKDONJSA-N -1 3 398.876 0.968 20 0 GCADHM CC(C)S(=O)(=O)CCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820177833 606961629 /nfs/dbraw/zinc/96/16/29/606961629.db2.gz BGJLXYSVRKRXBP-UHFFFAOYSA-N -1 3 379.490 0.597 20 0 GCADHM CC(C)S(=O)(=O)CCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820177833 606961631 /nfs/dbraw/zinc/96/16/31/606961631.db2.gz BGJLXYSVRKRXBP-UHFFFAOYSA-N -1 3 379.490 0.597 20 0 GCADHM C[C@@H](CO)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000821995054 606965271 /nfs/dbraw/zinc/96/52/71/606965271.db2.gz XZUOESVILSVWIL-JTQLQIEISA-N -1 3 383.368 0.490 20 0 GCADHM C[C@@H](CO)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000821995054 606965273 /nfs/dbraw/zinc/96/52/73/606965273.db2.gz XZUOESVILSVWIL-JTQLQIEISA-N -1 3 383.368 0.490 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000823358631 606965342 /nfs/dbraw/zinc/96/53/42/606965342.db2.gz CWOGPTHUUBCKPW-HZPDHXFCSA-N -1 3 399.455 0.565 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000823358631 606965344 /nfs/dbraw/zinc/96/53/44/606965344.db2.gz CWOGPTHUUBCKPW-HZPDHXFCSA-N -1 3 399.455 0.565 20 0 GCADHM C[C@@H](CO)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000821995012 606965588 /nfs/dbraw/zinc/96/55/88/606965588.db2.gz UGSWCHRJYAXTLX-JTQLQIEISA-N -1 3 383.368 0.490 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821662766 606972109 /nfs/dbraw/zinc/97/21/09/606972109.db2.gz RTFFEHAVUDRASP-UHFFFAOYSA-N -1 3 378.408 0.313 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821662766 606972110 /nfs/dbraw/zinc/97/21/10/606972110.db2.gz RTFFEHAVUDRASP-UHFFFAOYSA-N -1 3 378.408 0.313 20 0 GCADHM CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccccc1-c1nnn[n-]1 ZINC000821574725 606973766 /nfs/dbraw/zinc/97/37/66/606973766.db2.gz UOGOSRIQOMBALE-UHFFFAOYSA-N -1 3 392.379 0.089 20 0 GCADHM CN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1ccccc1-c1nn[n-]n1 ZINC000821574725 606973767 /nfs/dbraw/zinc/97/37/67/606973767.db2.gz UOGOSRIQOMBALE-UHFFFAOYSA-N -1 3 392.379 0.089 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820994490 606975067 /nfs/dbraw/zinc/97/50/67/606975067.db2.gz IVLPPMKDWUESBN-AAEUAGOBSA-N -1 3 395.489 0.763 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820994490 606975070 /nfs/dbraw/zinc/97/50/70/606975070.db2.gz IVLPPMKDWUESBN-AAEUAGOBSA-N -1 3 395.489 0.763 20 0 GCADHM O=C(NCCn1ncnn1)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823229308 606976019 /nfs/dbraw/zinc/97/60/19/606976019.db2.gz KVZCYHWFXVAYTP-UHFFFAOYSA-N -1 3 397.428 0.722 20 0 GCADHM O=C(NCCn1ncnn1)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823229308 606976022 /nfs/dbraw/zinc/97/60/22/606976022.db2.gz KVZCYHWFXVAYTP-UHFFFAOYSA-N -1 3 397.428 0.722 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCCCC1 ZINC000820438087 606976360 /nfs/dbraw/zinc/97/63/60/606976360.db2.gz IHDGPSVMKDHBBN-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCCCC1 ZINC000820438087 606976361 /nfs/dbraw/zinc/97/63/61/606976361.db2.gz IHDGPSVMKDHBBN-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821378125 606979374 /nfs/dbraw/zinc/97/93/74/606979374.db2.gz JDMVTPXCRWKIOU-LLVKDONJSA-N -1 3 382.446 0.076 20 0 GCADHM CCOCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821378125 606979376 /nfs/dbraw/zinc/97/93/76/606979376.db2.gz JDMVTPXCRWKIOU-LLVKDONJSA-N -1 3 382.446 0.076 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000821700703 606982501 /nfs/dbraw/zinc/98/25/01/606982501.db2.gz VHKFTDZVCIOMNP-QWHCGFSZSA-N -1 3 386.412 0.524 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000821700703 606982503 /nfs/dbraw/zinc/98/25/03/606982503.db2.gz VHKFTDZVCIOMNP-QWHCGFSZSA-N -1 3 386.412 0.524 20 0 GCADHM COCCc1noc(CN(C)CCC(=O)Nc2sccc2-c2nnn[n-]2)n1 ZINC000821694700 606983707 /nfs/dbraw/zinc/98/37/07/606983707.db2.gz YPFNTZAZEQPOFM-UHFFFAOYSA-N -1 3 392.445 0.961 20 0 GCADHM COCCc1noc(CN(C)CCC(=O)Nc2sccc2-c2nn[n-]n2)n1 ZINC000821694700 606983708 /nfs/dbraw/zinc/98/37/08/606983708.db2.gz YPFNTZAZEQPOFM-UHFFFAOYSA-N -1 3 392.445 0.961 20 0 GCADHM COCCc1noc(CN(C)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821694221 606983932 /nfs/dbraw/zinc/98/39/32/606983932.db2.gz CUZQDUSNZTYICM-UHFFFAOYSA-N -1 3 386.416 0.187 20 0 GCADHM COCCc1noc(CN(C)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821694221 606983933 /nfs/dbraw/zinc/98/39/33/606983933.db2.gz CUZQDUSNZTYICM-UHFFFAOYSA-N -1 3 386.416 0.187 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821592482 606984139 /nfs/dbraw/zinc/98/41/39/606984139.db2.gz HZSIGBSHCGBMRS-UHFFFAOYSA-N -1 3 388.428 0.341 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821592482 606984140 /nfs/dbraw/zinc/98/41/40/606984140.db2.gz HZSIGBSHCGBMRS-UHFFFAOYSA-N -1 3 388.428 0.341 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000822206968 606985841 /nfs/dbraw/zinc/98/58/41/606985841.db2.gz GKHSKILOCPTWBX-VIFPVBQESA-N -1 3 377.386 0.469 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000822206968 606985843 /nfs/dbraw/zinc/98/58/43/606985843.db2.gz GKHSKILOCPTWBX-VIFPVBQESA-N -1 3 377.386 0.469 20 0 GCADHM COC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821679947 606987807 /nfs/dbraw/zinc/98/78/07/606987807.db2.gz TUPSWLPECVXFAU-NSHDSACASA-N -1 3 394.457 0.171 20 0 GCADHM COC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821679947 606987808 /nfs/dbraw/zinc/98/78/08/606987808.db2.gz TUPSWLPECVXFAU-NSHDSACASA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC(C1CC1)C1CC1 ZINC000820445397 606988567 /nfs/dbraw/zinc/98/85/67/606988567.db2.gz PIBHQRUEIKTZRM-SNVBAGLBSA-N -1 3 390.469 0.838 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC(C1CC1)C1CC1 ZINC000820445397 606988569 /nfs/dbraw/zinc/98/85/69/606988569.db2.gz PIBHQRUEIKTZRM-SNVBAGLBSA-N -1 3 390.469 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[C@H]1CCCO1 ZINC000820446271 606989966 /nfs/dbraw/zinc/98/99/66/606989966.db2.gz TYJDJJPGEVMANQ-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[C@H]1CCCO1 ZINC000820446271 606989968 /nfs/dbraw/zinc/98/99/68/606989968.db2.gz TYJDJJPGEVMANQ-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000820989388 606990616 /nfs/dbraw/zinc/99/06/16/606990616.db2.gz RKOPJXHSUJLAOF-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000820989388 606990617 /nfs/dbraw/zinc/99/06/17/606990617.db2.gz RKOPJXHSUJLAOF-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1CCCC1 ZINC000820443975 606993582 /nfs/dbraw/zinc/99/35/82/606993582.db2.gz CMQDNPOQKFYZGS-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCCC1 ZINC000820443975 606993583 /nfs/dbraw/zinc/99/35/83/606993583.db2.gz CMQDNPOQKFYZGS-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821933272 606995500 /nfs/dbraw/zinc/99/55/00/606995500.db2.gz YWDSLWUQSJUIDD-CYBMUJFWSA-N -1 3 383.405 0.863 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821933272 606995501 /nfs/dbraw/zinc/99/55/01/606995501.db2.gz YWDSLWUQSJUIDD-CYBMUJFWSA-N -1 3 383.405 0.863 20 0 GCADHM O=C(N[C@@H](CO)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823139264 606996314 /nfs/dbraw/zinc/99/63/14/606996314.db2.gz AXYOIFLBKATZGI-HNNXBMFYSA-N -1 3 385.355 0.840 20 0 GCADHM O=C(N[C@@H](CO)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823139264 606996316 /nfs/dbraw/zinc/99/63/16/606996316.db2.gz AXYOIFLBKATZGI-HNNXBMFYSA-N -1 3 385.355 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cn1 ZINC000820447264 606998199 /nfs/dbraw/zinc/99/81/99/606998199.db2.gz YSSUZZLIOAAKTK-SECBINFHSA-N -1 3 391.388 0.706 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cn1 ZINC000820447264 606998200 /nfs/dbraw/zinc/99/82/00/606998200.db2.gz YSSUZZLIOAAKTK-SECBINFHSA-N -1 3 391.388 0.706 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCSCC1 ZINC000820438065 606998266 /nfs/dbraw/zinc/99/82/66/606998266.db2.gz HKWFCWMXPGIGQJ-NSHDSACASA-N -1 3 396.498 0.499 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCSCC1 ZINC000820438065 606998267 /nfs/dbraw/zinc/99/82/67/606998267.db2.gz HKWFCWMXPGIGQJ-NSHDSACASA-N -1 3 396.498 0.499 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nncs1 ZINC000820450993 606998274 /nfs/dbraw/zinc/99/82/74/606998274.db2.gz QMOOANCFONJZQC-ZETCQYMHSA-N -1 3 380.415 0.024 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nncs1 ZINC000820450993 606998275 /nfs/dbraw/zinc/99/82/75/606998275.db2.gz QMOOANCFONJZQC-ZETCQYMHSA-N -1 3 380.415 0.024 20 0 GCADHM Cc1ccnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822374491 606998796 /nfs/dbraw/zinc/99/87/96/606998796.db2.gz YXUAKDBDHLZPMG-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822374491 606998797 /nfs/dbraw/zinc/99/87/97/606998797.db2.gz YXUAKDBDHLZPMG-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)CC(F)(F)F ZINC000820437608 607000228 /nfs/dbraw/zinc/00/02/28/607000228.db2.gz AJNPECMALJWHKE-QMMMGPOBSA-N -1 3 392.363 0.554 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CC(F)(F)F ZINC000820437608 607000230 /nfs/dbraw/zinc/00/02/30/607000230.db2.gz AJNPECMALJWHKE-QMMMGPOBSA-N -1 3 392.363 0.554 20 0 GCADHM Cc1occc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822553699 607001366 /nfs/dbraw/zinc/00/13/66/607001366.db2.gz PGBRWWQMERXERE-JTQLQIEISA-N -1 3 390.425 0.751 20 0 GCADHM Cc1occc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822553699 607001368 /nfs/dbraw/zinc/00/13/68/607001368.db2.gz PGBRWWQMERXERE-JTQLQIEISA-N -1 3 390.425 0.751 20 0 GCADHM C[C@@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)C1CCOCC1 ZINC000819854857 607001465 /nfs/dbraw/zinc/00/14/65/607001465.db2.gz CSGXRASLTOCMNS-NSHDSACASA-N -1 3 379.442 0.812 20 0 GCADHM C[C@@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000819854857 607001467 /nfs/dbraw/zinc/00/14/67/607001467.db2.gz CSGXRASLTOCMNS-NSHDSACASA-N -1 3 379.442 0.812 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCCO1 ZINC000820449669 607001873 /nfs/dbraw/zinc/00/18/73/607001873.db2.gz ABXUEXFCLDDDAT-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCCO1 ZINC000820449669 607001875 /nfs/dbraw/zinc/00/18/75/607001875.db2.gz ABXUEXFCLDDDAT-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM Cc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822199920 607002524 /nfs/dbraw/zinc/00/25/24/607002524.db2.gz NFCKPMRYQXOWAQ-JTQLQIEISA-N -1 3 391.413 0.146 20 0 GCADHM Cc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822199920 607002526 /nfs/dbraw/zinc/00/25/26/607002526.db2.gz NFCKPMRYQXOWAQ-JTQLQIEISA-N -1 3 391.413 0.146 20 0 GCADHM CCCN(C)S(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821087971 607003745 /nfs/dbraw/zinc/00/37/45/607003745.db2.gz ITGUDKFUXWQHSJ-UHFFFAOYSA-N -1 3 379.490 0.571 20 0 GCADHM CCCN(C)S(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821087971 607003747 /nfs/dbraw/zinc/00/37/47/607003747.db2.gz ITGUDKFUXWQHSJ-UHFFFAOYSA-N -1 3 379.490 0.571 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1nnc2n1CCCC2 ZINC000820444010 607005028 /nfs/dbraw/zinc/00/50/28/607005028.db2.gz DFBIMKKIZOVINY-VIFPVBQESA-N -1 3 392.420 0.973 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1nnc2n1CCCC2 ZINC000820444010 607005030 /nfs/dbraw/zinc/00/50/30/607005030.db2.gz DFBIMKKIZOVINY-VIFPVBQESA-N -1 3 392.420 0.973 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821640979 607008121 /nfs/dbraw/zinc/00/81/21/607008121.db2.gz SVVDILDBKJQLCI-ZDUSSCGKSA-N -1 3 383.430 0.454 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821640979 607008122 /nfs/dbraw/zinc/00/81/22/607008122.db2.gz SVVDILDBKJQLCI-ZDUSSCGKSA-N -1 3 383.430 0.454 20 0 GCADHM COCCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821686800 607009678 /nfs/dbraw/zinc/00/96/78/607009678.db2.gz ADWMAPKBABVSJB-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM COCCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821686800 607009680 /nfs/dbraw/zinc/00/96/80/607009680.db2.gz ADWMAPKBABVSJB-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOC(C)(C)C ZINC000820444349 607016997 /nfs/dbraw/zinc/01/69/97/607016997.db2.gz IUDLANBBNMVXGE-LLVKDONJSA-N -1 3 396.473 0.465 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOC(C)(C)C ZINC000820444349 607016999 /nfs/dbraw/zinc/01/69/99/607016999.db2.gz IUDLANBBNMVXGE-LLVKDONJSA-N -1 3 396.473 0.465 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N=c1sccn1C ZINC000820447502 607018661 /nfs/dbraw/zinc/01/86/61/607018661.db2.gz ZFYPUUZDHHKWIB-SECBINFHSA-N -1 3 393.454 0.061 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N=c1sccn1C ZINC000820447502 607018662 /nfs/dbraw/zinc/01/86/62/607018662.db2.gz ZFYPUUZDHHKWIB-SECBINFHSA-N -1 3 393.454 0.061 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@H]1CCCO1 ZINC000820444763 607019625 /nfs/dbraw/zinc/01/96/25/607019625.db2.gz LRLYVMSLAGPRGH-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@H]1CCCO1 ZINC000820444763 607019626 /nfs/dbraw/zinc/01/96/26/607019626.db2.gz LRLYVMSLAGPRGH-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM CN(CCC(=O)OC(C)(C)C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821597598 607020736 /nfs/dbraw/zinc/02/07/36/607020736.db2.gz APMWIYNWBNKCPU-UHFFFAOYSA-N -1 3 388.428 0.787 20 0 GCADHM CN(CCC(=O)OC(C)(C)C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821597598 607020738 /nfs/dbraw/zinc/02/07/38/607020738.db2.gz APMWIYNWBNKCPU-UHFFFAOYSA-N -1 3 388.428 0.787 20 0 GCADHM COCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821685920 607020941 /nfs/dbraw/zinc/02/09/41/607020941.db2.gz VBNLEFBOMAISNB-GHMZBOCLSA-N -1 3 382.446 0.075 20 0 GCADHM COCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821685920 607020942 /nfs/dbraw/zinc/02/09/42/607020942.db2.gz VBNLEFBOMAISNB-GHMZBOCLSA-N -1 3 382.446 0.075 20 0 GCADHM COCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821685921 607021032 /nfs/dbraw/zinc/02/10/32/607021032.db2.gz VBNLEFBOMAISNB-MNOVXSKESA-N -1 3 382.446 0.075 20 0 GCADHM COCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821685921 607021034 /nfs/dbraw/zinc/02/10/34/607021034.db2.gz VBNLEFBOMAISNB-MNOVXSKESA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821679761 607021313 /nfs/dbraw/zinc/02/13/13/607021313.db2.gz LQIPORLUWPTRRC-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821679761 607021315 /nfs/dbraw/zinc/02/13/15/607021315.db2.gz LQIPORLUWPTRRC-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM CCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821083465 607021434 /nfs/dbraw/zinc/02/14/34/607021434.db2.gz ZNGFYQVTISOUOG-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM CCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000821083465 607021435 /nfs/dbraw/zinc/02/14/35/607021435.db2.gz ZNGFYQVTISOUOG-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM CCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000821083223 607021579 /nfs/dbraw/zinc/02/15/79/607021579.db2.gz VXPILGKLLFOQBL-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM CCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000821083223 607021580 /nfs/dbraw/zinc/02/15/80/607021580.db2.gz VXPILGKLLFOQBL-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000820438496 607022426 /nfs/dbraw/zinc/02/24/26/607022426.db2.gz QUMVKVKYYKDFRC-COPLHBTASA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000820438496 607022429 /nfs/dbraw/zinc/02/24/29/607022429.db2.gz QUMVKVKYYKDFRC-COPLHBTASA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000820444622 607022686 /nfs/dbraw/zinc/02/26/86/607022686.db2.gz LEUNIKBSJFXDIY-MJVIPROJSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000820444622 607022688 /nfs/dbraw/zinc/02/26/88/607022688.db2.gz LEUNIKBSJFXDIY-MJVIPROJSA-N -1 3 378.458 0.838 20 0 GCADHM Cc1cnccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822400043 607023315 /nfs/dbraw/zinc/02/33/15/607023315.db2.gz UQCPJQQLMQHBDK-NSHDSACASA-N -1 3 387.425 0.298 20 0 GCADHM Cc1cnccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822400043 607023316 /nfs/dbraw/zinc/02/33/16/607023316.db2.gz UQCPJQQLMQHBDK-NSHDSACASA-N -1 3 387.425 0.298 20 0 GCADHM CN1C(=S)N=NC1CCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822605065 607023542 /nfs/dbraw/zinc/02/35/42/607023542.db2.gz WXHYIPYCZIPSLH-UHFFFAOYSA-N -1 3 388.457 0.800 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC1(C)C ZINC000820451047 607025912 /nfs/dbraw/zinc/02/59/12/607025912.db2.gz RORLFFZEJPYOFK-JQWIXIFHSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC1(C)C ZINC000820451047 607025914 /nfs/dbraw/zinc/02/59/14/607025914.db2.gz RORLFFZEJPYOFK-JQWIXIFHSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)c1cccnc1 ZINC000820443965 607026076 /nfs/dbraw/zinc/02/60/76/607026076.db2.gz CJEYPHLWFAOZQJ-LLVKDONJSA-N -1 3 387.425 0.592 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)c1cccnc1 ZINC000820443965 607026078 /nfs/dbraw/zinc/02/60/78/607026078.db2.gz CJEYPHLWFAOZQJ-LLVKDONJSA-N -1 3 387.425 0.592 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000819810778 607037678 /nfs/dbraw/zinc/03/76/78/607037678.db2.gz PQJJRXSCMPTDQG-OAHLLOKOSA-N -1 3 388.428 0.388 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000819810778 607037679 /nfs/dbraw/zinc/03/76/79/607037679.db2.gz PQJJRXSCMPTDQG-OAHLLOKOSA-N -1 3 388.428 0.388 20 0 GCADHM CSCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821962607 607038533 /nfs/dbraw/zinc/03/85/33/607038533.db2.gz SVXYDXDENMMWAW-NSHDSACASA-N -1 3 398.514 0.793 20 0 GCADHM CSCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821962607 607038535 /nfs/dbraw/zinc/03/85/35/607038535.db2.gz SVXYDXDENMMWAW-NSHDSACASA-N -1 3 398.514 0.793 20 0 GCADHM CC(C)[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820450041 607042541 /nfs/dbraw/zinc/04/25/41/607042541.db2.gz GFHMJOCSFXONNO-NWDGAFQWSA-N -1 3 380.474 0.942 20 0 GCADHM CC(C)[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820450041 607042543 /nfs/dbraw/zinc/04/25/43/607042543.db2.gz GFHMJOCSFXONNO-NWDGAFQWSA-N -1 3 380.474 0.942 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccon1 ZINC000820438637 607042658 /nfs/dbraw/zinc/04/26/58/607042658.db2.gz TYZPSPPASYUPIJ-SNVBAGLBSA-N -1 3 391.413 0.180 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccon1 ZINC000820438637 607042660 /nfs/dbraw/zinc/04/26/60/607042660.db2.gz TYZPSPPASYUPIJ-SNVBAGLBSA-N -1 3 391.413 0.180 20 0 GCADHM COC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821684664 607043500 /nfs/dbraw/zinc/04/35/00/607043500.db2.gz GWCCBMJEACPUHK-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM COC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821684664 607043503 /nfs/dbraw/zinc/04/35/03/607043503.db2.gz GWCCBMJEACPUHK-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000820444553 607044010 /nfs/dbraw/zinc/04/40/10/607044010.db2.gz KOZQJSFIRNITAM-GMXVVIOVSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000820444553 607044011 /nfs/dbraw/zinc/04/40/11/607044011.db2.gz KOZQJSFIRNITAM-GMXVVIOVSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(C)(C)C1 ZINC000820444470 607049334 /nfs/dbraw/zinc/04/93/34/607049334.db2.gz JOLXZAHGEQPMMC-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(C)(C)C1 ZINC000820444470 607049335 /nfs/dbraw/zinc/04/93/35/607049335.db2.gz JOLXZAHGEQPMMC-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCSC1 ZINC000820438706 607049626 /nfs/dbraw/zinc/04/96/26/607049626.db2.gz VGSIHONWVCOGET-GXSJLCMTSA-N -1 3 382.471 0.155 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCSC1 ZINC000820438706 607049627 /nfs/dbraw/zinc/04/96/27/607049627.db2.gz VGSIHONWVCOGET-GXSJLCMTSA-N -1 3 382.471 0.155 20 0 GCADHM CC[C@@H](O)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820931654 607051043 /nfs/dbraw/zinc/05/10/43/607051043.db2.gz IDPBRKOHQADIHP-WCQYABFASA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@@H](O)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820931654 607051045 /nfs/dbraw/zinc/05/10/45/607051045.db2.gz IDPBRKOHQADIHP-WCQYABFASA-N -1 3 396.473 0.201 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccn1C ZINC000820445189 607051062 /nfs/dbraw/zinc/05/10/62/607051062.db2.gz OIVWYFYAIASINR-LLVKDONJSA-N -1 3 389.441 0.188 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccn1C ZINC000820445189 607051064 /nfs/dbraw/zinc/05/10/64/607051064.db2.gz OIVWYFYAIASINR-LLVKDONJSA-N -1 3 389.441 0.188 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC(F)(F)F ZINC000820444088 607051200 /nfs/dbraw/zinc/05/12/00/607051200.db2.gz FUJNXBIUEYYVOU-QMMMGPOBSA-N -1 3 392.363 0.602 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC(F)(F)F ZINC000820444088 607051202 /nfs/dbraw/zinc/05/12/02/607051202.db2.gz FUJNXBIUEYYVOU-QMMMGPOBSA-N -1 3 392.363 0.602 20 0 GCADHM CCC[C@@H]1C[C@@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821033913 607051857 /nfs/dbraw/zinc/05/18/57/607051857.db2.gz GYDCBMGLVUPVSI-SUHUHFCYSA-N -1 3 378.458 0.838 20 0 GCADHM CCC[C@@H]1C[C@@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821033913 607051859 /nfs/dbraw/zinc/05/18/59/607051859.db2.gz GYDCBMGLVUPVSI-SUHUHFCYSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccc[nH]1 ZINC000820438221 607052188 /nfs/dbraw/zinc/05/21/88/607052188.db2.gz KYMKMLINCSWOCY-NSHDSACASA-N -1 3 389.441 0.520 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccc[nH]1 ZINC000820438221 607052189 /nfs/dbraw/zinc/05/21/89/607052189.db2.gz KYMKMLINCSWOCY-NSHDSACASA-N -1 3 389.441 0.520 20 0 GCADHM Cc1ncccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822472739 607053325 /nfs/dbraw/zinc/05/33/25/607053325.db2.gz YBRVSDDFLMPUIB-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ncccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822472739 607053327 /nfs/dbraw/zinc/05/33/27/607053327.db2.gz YBRVSDDFLMPUIB-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C)CCC1 ZINC000820438045 607053740 /nfs/dbraw/zinc/05/37/40/607053740.db2.gz GUEMVRCOLARXEA-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C)CCC1 ZINC000820438045 607053742 /nfs/dbraw/zinc/05/37/42/607053742.db2.gz GUEMVRCOLARXEA-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C)CCC1 ZINC000820438044 607053834 /nfs/dbraw/zinc/05/38/34/607053834.db2.gz GUEMVRCOLARXEA-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C)CCC1 ZINC000820438044 607053836 /nfs/dbraw/zinc/05/38/36/607053836.db2.gz GUEMVRCOLARXEA-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@@H]1CCOC1 ZINC000820445165 607054771 /nfs/dbraw/zinc/05/47/71/607054771.db2.gz ODOMQSOLIDRFLN-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@@H]1CCOC1 ZINC000820445165 607054773 /nfs/dbraw/zinc/05/47/73/607054773.db2.gz ODOMQSOLIDRFLN-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM COC[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821683666 607054917 /nfs/dbraw/zinc/05/49/17/607054917.db2.gz HGNYPXWJKGCLAZ-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM COC[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821683666 607054918 /nfs/dbraw/zinc/05/49/18/607054918.db2.gz HGNYPXWJKGCLAZ-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NCCS(=O)(=O)CC1CC1 ZINC000823215475 607055113 /nfs/dbraw/zinc/05/51/13/607055113.db2.gz OWXYXVPBPUTEFX-UHFFFAOYSA-N -1 3 394.457 0.370 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@]1(C)CCCO1 ZINC000820450556 607060216 /nfs/dbraw/zinc/06/02/16/607060216.db2.gz MMGMRYFRJHMCET-BZNIZROVSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@]1(C)CCCO1 ZINC000820450556 607060218 /nfs/dbraw/zinc/06/02/18/607060218.db2.gz MMGMRYFRJHMCET-BZNIZROVSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCS1 ZINC000820451913 607060931 /nfs/dbraw/zinc/06/09/31/607060931.db2.gz YIRIOBYRNZFNNV-ZYHUDNBSSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCS1 ZINC000820451913 607060933 /nfs/dbraw/zinc/06/09/33/607060933.db2.gz YIRIOBYRNZFNNV-ZYHUDNBSSA-N -1 3 396.498 0.545 20 0 GCADHM CC[C@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820902803 607061222 /nfs/dbraw/zinc/06/12/22/607061222.db2.gz NVVXRLFHVAADEJ-NWDGAFQWSA-N -1 3 396.473 0.058 20 0 GCADHM CC[C@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820902803 607061224 /nfs/dbraw/zinc/06/12/24/607061224.db2.gz NVVXRLFHVAADEJ-NWDGAFQWSA-N -1 3 396.473 0.058 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820249401 607063135 /nfs/dbraw/zinc/06/31/35/607063135.db2.gz WPHDUTGSNJKOEF-LLVKDONJSA-N -1 3 381.458 0.964 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820249401 607063137 /nfs/dbraw/zinc/06/31/37/607063137.db2.gz WPHDUTGSNJKOEF-LLVKDONJSA-N -1 3 381.458 0.964 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820993750 607063338 /nfs/dbraw/zinc/06/33/38/607063338.db2.gz BFCZKAKHFRBNFU-RISCZKNCSA-N -1 3 378.458 0.657 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820993750 607063339 /nfs/dbraw/zinc/06/33/39/607063339.db2.gz BFCZKAKHFRBNFU-RISCZKNCSA-N -1 3 378.458 0.657 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820056526 607063417 /nfs/dbraw/zinc/06/34/17/607063417.db2.gz QHZARXKBZDFERG-AAEUAGOBSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820056526 607063419 /nfs/dbraw/zinc/06/34/19/607063419.db2.gz QHZARXKBZDFERG-AAEUAGOBSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820993754 607063455 /nfs/dbraw/zinc/06/34/55/607063455.db2.gz BFMYFWQCGCJTOX-PWSUYJOCSA-N -1 3 379.446 0.052 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820993754 607063457 /nfs/dbraw/zinc/06/34/57/607063457.db2.gz BFMYFWQCGCJTOX-PWSUYJOCSA-N -1 3 379.446 0.052 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[S@@](C)=O ZINC000820243107 607064841 /nfs/dbraw/zinc/06/48/41/607064841.db2.gz VQRSTCGIACBXKT-BIXPNRAVSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[S@@](C)=O ZINC000820243107 607064843 /nfs/dbraw/zinc/06/48/43/607064843.db2.gz VQRSTCGIACBXKT-BIXPNRAVSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000820445369 607064979 /nfs/dbraw/zinc/06/49/79/607064979.db2.gz PBLKGESEEBBYCM-QJPTWQEYSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000820445369 607064980 /nfs/dbraw/zinc/06/49/80/607064980.db2.gz PBLKGESEEBBYCM-QJPTWQEYSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccccn1 ZINC000820446708 607079180 /nfs/dbraw/zinc/07/91/80/607079180.db2.gz WSDQFWGFAOKCHG-NSHDSACASA-N -1 3 388.409 0.672 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccccn1 ZINC000820446708 607079181 /nfs/dbraw/zinc/07/91/81/607079181.db2.gz WSDQFWGFAOKCHG-NSHDSACASA-N -1 3 388.409 0.672 20 0 GCADHM CC(C)OCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820146336 607079235 /nfs/dbraw/zinc/07/92/35/607079235.db2.gz KSTONDOKACNEJA-LLVKDONJSA-N -1 3 383.430 0.502 20 0 GCADHM CC(C)OCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820146336 607079236 /nfs/dbraw/zinc/07/92/36/607079236.db2.gz KSTONDOKACNEJA-LLVKDONJSA-N -1 3 383.430 0.502 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821696993 607079925 /nfs/dbraw/zinc/07/99/25/607079925.db2.gz XEWKAADDTLVKDB-ZDUSSCGKSA-N -1 3 378.458 0.667 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821696993 607079926 /nfs/dbraw/zinc/07/99/26/607079926.db2.gz XEWKAADDTLVKDB-ZDUSSCGKSA-N -1 3 378.458 0.667 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821696519 607079972 /nfs/dbraw/zinc/07/99/72/607079972.db2.gz GQTJRWYLJALQNI-ZDUSSCGKSA-N -1 3 393.473 0.536 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)n1cccn1 ZINC000819856744 607080155 /nfs/dbraw/zinc/08/01/55/607080155.db2.gz LGKCODRZRWFNKX-LLVKDONJSA-N -1 3 387.375 0.965 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)n1cccn1 ZINC000819856744 607080156 /nfs/dbraw/zinc/08/01/56/607080156.db2.gz LGKCODRZRWFNKX-LLVKDONJSA-N -1 3 387.375 0.965 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OC[C@H]1CCCOC1 ZINC000823054932 607081571 /nfs/dbraw/zinc/08/15/71/607081571.db2.gz HOALVGPNXMLMHJ-ZDUSSCGKSA-N -1 3 380.426 0.751 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OC[C@H]1CCCOC1 ZINC000823054932 607081572 /nfs/dbraw/zinc/08/15/72/607081572.db2.gz HOALVGPNXMLMHJ-ZDUSSCGKSA-N -1 3 380.426 0.751 20 0 GCADHM COCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821686864 607081595 /nfs/dbraw/zinc/08/15/95/607081595.db2.gz COORVGFQWLCCSC-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM COCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821686864 607081597 /nfs/dbraw/zinc/08/15/97/607081597.db2.gz COORVGFQWLCCSC-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM CCOC(=O)CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821330944 607082469 /nfs/dbraw/zinc/08/24/69/607082469.db2.gz ZSRCGIWHENIXBX-SNVBAGLBSA-N -1 3 397.413 0.030 20 0 GCADHM CCOC(=O)CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821330944 607082470 /nfs/dbraw/zinc/08/24/70/607082470.db2.gz ZSRCGIWHENIXBX-SNVBAGLBSA-N -1 3 397.413 0.030 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCCCO1 ZINC000820450516 607082795 /nfs/dbraw/zinc/08/27/95/607082795.db2.gz LQBZQJZJHSBSTB-YPMHNXCESA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCCCO1 ZINC000820450516 607082797 /nfs/dbraw/zinc/08/27/97/607082797.db2.gz LQBZQJZJHSBSTB-YPMHNXCESA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCCCO1 ZINC000820450510 607082930 /nfs/dbraw/zinc/08/29/30/607082930.db2.gz LQBZQJZJHSBSTB-AAEUAGOBSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCCCO1 ZINC000820450510 607082933 /nfs/dbraw/zinc/08/29/33/607082933.db2.gz LQBZQJZJHSBSTB-AAEUAGOBSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCSC1 ZINC000820446944 607082937 /nfs/dbraw/zinc/08/29/37/607082937.db2.gz XSXWTMOFDCVGEW-MWLCHTKSSA-N -1 3 383.455 0.582 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCSC1 ZINC000820446944 607082939 /nfs/dbraw/zinc/08/29/39/607082939.db2.gz XSXWTMOFDCVGEW-MWLCHTKSSA-N -1 3 383.455 0.582 20 0 GCADHM Cc1onc(-c2ccncc2)c1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000822553142 607084771 /nfs/dbraw/zinc/08/47/71/607084771.db2.gz JASPKUCUEKIMRY-UHFFFAOYSA-N -1 3 381.356 0.861 20 0 GCADHM Cc1onc(-c2ccncc2)c1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000822553142 607084773 /nfs/dbraw/zinc/08/47/73/607084773.db2.gz JASPKUCUEKIMRY-UHFFFAOYSA-N -1 3 381.356 0.861 20 0 GCADHM CC(=O)CCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819782517 607090260 /nfs/dbraw/zinc/09/02/60/607090260.db2.gz MRAWDMYOQJISRW-NSHDSACASA-N -1 3 381.414 0.446 20 0 GCADHM CC(=O)CCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819782517 607090262 /nfs/dbraw/zinc/09/02/62/607090262.db2.gz MRAWDMYOQJISRW-NSHDSACASA-N -1 3 381.414 0.446 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCSC1 ZINC000820449873 607091850 /nfs/dbraw/zinc/09/18/50/607091850.db2.gz DFLQTOSFQLHORK-WDEREUQCSA-N -1 3 397.482 0.830 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCSC1 ZINC000820449873 607091851 /nfs/dbraw/zinc/09/18/51/607091851.db2.gz DFLQTOSFQLHORK-WDEREUQCSA-N -1 3 397.482 0.830 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1nnc2n1CCCC2 ZINC000820316445 607093280 /nfs/dbraw/zinc/09/32/80/607093280.db2.gz VXBNWWWXWWJYQP-VIFPVBQESA-N -1 3 399.390 0.750 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1nnc2n1CCCC2 ZINC000820316445 607093282 /nfs/dbraw/zinc/09/32/82/607093282.db2.gz VXBNWWWXWWJYQP-VIFPVBQESA-N -1 3 399.390 0.750 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000821755319 607093617 /nfs/dbraw/zinc/09/36/17/607093617.db2.gz DRERGWZYASWCHR-LLVKDONJSA-N -1 3 382.384 0.211 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000821728238 607093638 /nfs/dbraw/zinc/09/36/38/607093638.db2.gz SBQIOIDHJSRMKF-UHFFFAOYSA-N -1 3 398.358 0.328 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000821728238 607093639 /nfs/dbraw/zinc/09/36/39/607093639.db2.gz SBQIOIDHJSRMKF-UHFFFAOYSA-N -1 3 398.358 0.328 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821170995 607093811 /nfs/dbraw/zinc/09/38/11/607093811.db2.gz ZBDVAPRSISCYIV-CQSZACIVSA-N -1 3 385.428 0.665 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821170995 607093813 /nfs/dbraw/zinc/09/38/13/607093813.db2.gz ZBDVAPRSISCYIV-CQSZACIVSA-N -1 3 385.428 0.665 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000823331263 607094091 /nfs/dbraw/zinc/09/40/91/607094091.db2.gz DGTQPGBRPJCURB-CYBMUJFWSA-N -1 3 387.375 0.214 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000823331263 607094092 /nfs/dbraw/zinc/09/40/92/607094092.db2.gz 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CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCN1C(=O)CN(C)C1=O ZINC000821292867 607099449 /nfs/dbraw/zinc/09/94/49/607099449.db2.gz FVENUTKLOVOKAG-UHFFFAOYSA-N -1 3 386.416 0.911 20 0 GCADHM Nc1nsc(N2CCN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CC2)n1 ZINC000822911902 607102211 /nfs/dbraw/zinc/10/22/11/607102211.db2.gz CWWUGNFCWSJEFA-UHFFFAOYSA-N -1 3 390.408 0.794 20 0 GCADHM Nc1nsc(N2CCN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC2)n1 ZINC000822911902 607102212 /nfs/dbraw/zinc/10/22/12/607102212.db2.gz CWWUGNFCWSJEFA-UHFFFAOYSA-N -1 3 390.408 0.794 20 0 GCADHM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820384626 607104349 /nfs/dbraw/zinc/10/43/49/607104349.db2.gz JHODTDAPDSISBP-ZETCQYMHSA-N -1 3 383.397 0.957 20 0 GCADHM Cc1ccnc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000822374044 607108872 /nfs/dbraw/zinc/10/88/72/607108872.db2.gz IPOGMRGKAKOVRI-KRWDZBQOSA-N -1 3 378.440 0.919 20 0 GCADHM Cc1ccnc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000822374044 607108874 /nfs/dbraw/zinc/10/88/74/607108874.db2.gz IPOGMRGKAKOVRI-KRWDZBQOSA-N -1 3 378.440 0.919 20 0 GCADHM O=C(N[C@H]1CCCc2c[nH]nc21)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823150163 607111057 /nfs/dbraw/zinc/11/10/57/607111057.db2.gz LOARODGPKISOAE-AWEZNQCLSA-N -1 3 394.443 0.894 20 0 GCADHM CC[C@@H](C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCCC1=O ZINC000820848337 607111450 /nfs/dbraw/zinc/11/14/50/607111450.db2.gz VBBUNWRGUJRPJS-LSDHHAIUSA-N -1 3 398.423 0.916 20 0 GCADHM CC[C@@H](C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCCC1=O ZINC000820848337 607111452 /nfs/dbraw/zinc/11/14/52/607111452.db2.gz VBBUNWRGUJRPJS-LSDHHAIUSA-N -1 3 398.423 0.916 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H](CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC000822860170 607112090 /nfs/dbraw/zinc/11/20/90/607112090.db2.gz OFLSBAZFRQXLQW-KWQFWETISA-N -1 3 381.849 0.839 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H](CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC000822860170 607112092 /nfs/dbraw/zinc/11/20/92/607112092.db2.gz 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ZINC000823601030 607113534 /nfs/dbraw/zinc/11/35/34/607113534.db2.gz OKHPJBWXWXMTAF-NSHDSACASA-N -1 3 391.384 0.954 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccno1 ZINC000820444845 607115895 /nfs/dbraw/zinc/11/58/95/607115895.db2.gz MHLMACPGNFHDDQ-SECBINFHSA-N -1 3 378.370 0.265 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccno1 ZINC000820444845 607115897 /nfs/dbraw/zinc/11/58/97/607115897.db2.gz MHLMACPGNFHDDQ-SECBINFHSA-N -1 3 378.370 0.265 20 0 GCADHM CCC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820833073 607116611 /nfs/dbraw/zinc/11/66/11/607116611.db2.gz SCRIIPAPWMSACF-UWVGGRQHSA-N -1 3 381.414 0.444 20 0 GCADHM CCC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820833073 607116613 /nfs/dbraw/zinc/11/66/13/607116613.db2.gz SCRIIPAPWMSACF-UWVGGRQHSA-N -1 3 381.414 0.444 20 0 GCADHM O=C(COC(=O)C[C@H]1COC(=O)C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823018691 607117094 /nfs/dbraw/zinc/11/70/94/607117094.db2.gz 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Cc1cnc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822395055 607121117 /nfs/dbraw/zinc/12/11/17/607121117.db2.gz QFRNRYTWAMGMOB-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cnc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822395055 607121119 /nfs/dbraw/zinc/12/11/19/607121119.db2.gz QFRNRYTWAMGMOB-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)on1 ZINC000822200919 607121348 /nfs/dbraw/zinc/12/13/48/607121348.db2.gz IQYCTNRJKOWLQX-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)on1 ZINC000822200919 607121349 /nfs/dbraw/zinc/12/13/49/607121349.db2.gz IQYCTNRJKOWLQX-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM C[C@H](C[C@@H]1CCOC1)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000820233848 607123761 /nfs/dbraw/zinc/12/37/61/607123761.db2.gz LRVRGSXUZKXPLQ-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](C[C@@H]1CCOC1)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000820233848 607123763 /nfs/dbraw/zinc/12/37/63/607123763.db2.gz LRVRGSXUZKXPLQ-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000820151307 607135471 /nfs/dbraw/zinc/13/54/71/607135471.db2.gz GRSZZTWNSDGWBC-FZMZJTMJSA-N -1 3 389.416 0.808 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000820151307 607135473 /nfs/dbraw/zinc/13/54/73/607135473.db2.gz GRSZZTWNSDGWBC-FZMZJTMJSA-N -1 3 389.416 0.808 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N(CCO)CCN1CCOCC1 ZINC000823343669 607140284 /nfs/dbraw/zinc/14/02/84/607140284.db2.gz DFPAJGHWGFRFBM-UHFFFAOYSA-N -1 3 379.396 0.164 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N(CCO)CCN1CCOCC1 ZINC000823343669 607140286 /nfs/dbraw/zinc/14/02/86/607140286.db2.gz DFPAJGHWGFRFBM-UHFFFAOYSA-N -1 3 379.396 0.164 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(C)(O)CC1 ZINC000820151616 607140322 /nfs/dbraw/zinc/14/03/22/607140322.db2.gz JUSUMYDNZFYDML-UHFFFAOYSA-N -1 3 388.428 0.966 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(C)(O)CC1 ZINC000820151616 607140324 /nfs/dbraw/zinc/14/03/24/607140324.db2.gz JUSUMYDNZFYDML-UHFFFAOYSA-N -1 3 388.428 0.966 20 0 GCADHM CC1(O)CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000820623303 607140744 /nfs/dbraw/zinc/14/07/44/607140744.db2.gz LGYQGLCVDVQRFT-UHFFFAOYSA-N -1 3 396.354 0.780 20 0 GCADHM CC1(O)CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000820623303 607140746 /nfs/dbraw/zinc/14/07/46/607140746.db2.gz LGYQGLCVDVQRFT-UHFFFAOYSA-N -1 3 396.354 0.780 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cn1C ZINC000821635088 607142543 /nfs/dbraw/zinc/14/25/43/607142543.db2.gz LWHGFGCMKPAMJV-UHFFFAOYSA-N -1 3 380.361 0.472 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cn1C ZINC000821635088 607142545 /nfs/dbraw/zinc/14/25/45/607142545.db2.gz LWHGFGCMKPAMJV-UHFFFAOYSA-N -1 3 380.361 0.472 20 0 GCADHM 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GCADHM O=C(COc1ccccc1-c1nnn[n-]1)OCCCc1nc2ncccn2n1 ZINC000823054819 607185723 /nfs/dbraw/zinc/18/57/23/607185723.db2.gz DTNXOJAIHFQHSB-UHFFFAOYSA-N -1 3 380.368 0.859 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)OCCCc1nc2ncccn2n1 ZINC000823054819 607185724 /nfs/dbraw/zinc/18/57/24/607185724.db2.gz DTNXOJAIHFQHSB-UHFFFAOYSA-N -1 3 380.368 0.859 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[C@@H](CO)CC2)cc1 ZINC000822904417 607186304 /nfs/dbraw/zinc/18/63/04/607186304.db2.gz YJSJOBJGOIYMFI-BJHJDKERSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[C@@H](CO)CC2)cc1 ZINC000822904417 607186305 /nfs/dbraw/zinc/18/63/05/607186305.db2.gz YJSJOBJGOIYMFI-BJHJDKERSA-N -1 3 382.428 0.916 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000821701131 607187627 /nfs/dbraw/zinc/18/76/27/607187627.db2.gz CKHQLYDQLMYWJA-JSGCOSHPSA-N -1 3 391.428 0.643 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000821701131 607187628 /nfs/dbraw/zinc/18/76/28/607187628.db2.gz CKHQLYDQLMYWJA-JSGCOSHPSA-N -1 3 391.428 0.643 20 0 GCADHM O=C(CCN1CCCC1=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000822964951 607188634 /nfs/dbraw/zinc/18/86/34/607188634.db2.gz USXUTXIEKWIRFF-UHFFFAOYSA-N -1 3 380.412 0.886 20 0 GCADHM O=C(CCN1CCCC1=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000822964951 607188635 /nfs/dbraw/zinc/18/86/35/607188635.db2.gz USXUTXIEKWIRFF-UHFFFAOYSA-N -1 3 380.412 0.886 20 0 GCADHM CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)nn1 ZINC000821578356 607189660 /nfs/dbraw/zinc/18/96/60/607189660.db2.gz ZSNIKHXXTBBZGS-UHFFFAOYSA-N -1 3 375.780 0.452 20 0 GCADHM CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)nn1 ZINC000821578356 607189661 /nfs/dbraw/zinc/18/96/61/607189661.db2.gz ZSNIKHXXTBBZGS-UHFFFAOYSA-N -1 3 375.780 0.452 20 0 GCADHM C[C@@]1(c2cccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2)NC(=O)NC1=O ZINC000425935152 607192194 /nfs/dbraw/zinc/19/21/94/607192194.db2.gz HBOJAPGXGNGOSE-IBGZPJMESA-N -1 3 391.391 0.851 20 0 GCADHM CC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820989216 607194627 /nfs/dbraw/zinc/19/46/27/607194627.db2.gz OFOAZWQBNNZMJB-DGCLKSJQSA-N -1 3 375.437 0.175 20 0 GCADHM CC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820989216 607194628 /nfs/dbraw/zinc/19/46/28/607194628.db2.gz OFOAZWQBNNZMJB-DGCLKSJQSA-N -1 3 375.437 0.175 20 0 GCADHM O=C(NCCN1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823196863 607203585 /nfs/dbraw/zinc/20/35/85/607203585.db2.gz KWTLDXQPUDUGAM-UHFFFAOYSA-N -1 3 385.837 0.677 20 0 GCADHM O=C(NCCN1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823196863 607203586 /nfs/dbraw/zinc/20/35/86/607203586.db2.gz KWTLDXQPUDUGAM-UHFFFAOYSA-N -1 3 385.837 0.677 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000823535995 607205515 /nfs/dbraw/zinc/20/55/15/607205515.db2.gz OLCOQGQNYNZVGN-QWHCGFSZSA-N -1 3 385.432 0.126 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000823535995 607205516 /nfs/dbraw/zinc/20/55/16/607205516.db2.gz OLCOQGQNYNZVGN-QWHCGFSZSA-N -1 3 385.432 0.126 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822879519 607207852 /nfs/dbraw/zinc/20/78/52/607207852.db2.gz CLTBBNRZKOHZHN-INIZCTEOSA-N -1 3 398.448 0.609 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822879519 607207853 /nfs/dbraw/zinc/20/78/53/607207853.db2.gz CLTBBNRZKOHZHN-INIZCTEOSA-N -1 3 398.448 0.609 20 0 GCADHM O=C(NCCc1cscn1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823224290 607216690 /nfs/dbraw/zinc/21/66/90/607216690.db2.gz WRRWCZVHVXSDEI-UHFFFAOYSA-N -1 3 385.457 0.793 20 0 GCADHM O=C(NCCc1cscn1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823224290 607216691 /nfs/dbraw/zinc/21/66/91/607216691.db2.gz WRRWCZVHVXSDEI-UHFFFAOYSA-N -1 3 385.457 0.793 20 0 GCADHM C[C@H]1CN(Cc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)C[C@H](C)O1 ZINC000820758743 607218037 /nfs/dbraw/zinc/21/80/37/607218037.db2.gz CJKPMORZNSLPTJ-STQMWFEESA-N -1 3 397.443 0.706 20 0 GCADHM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1ccncc1-c1nnn[n-]1)C2=O ZINC000820595419 607218160 /nfs/dbraw/zinc/21/81/60/607218160.db2.gz ITUQCMWAEBZGPF-GOSISDBHSA-N -1 3 398.427 0.513 20 0 GCADHM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1ccncc1-c1nn[n-]n1)C2=O ZINC000820595419 607218161 /nfs/dbraw/zinc/21/81/61/607218161.db2.gz ITUQCMWAEBZGPF-GOSISDBHSA-N -1 3 398.427 0.513 20 0 GCADHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820721843 607220710 /nfs/dbraw/zinc/22/07/10/607220710.db2.gz CCVMYHXKBLHBOQ-AWEZNQCLSA-N -1 3 381.444 0.581 20 0 GCADHM Cc1cc(NC(=O)CN2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)no1 ZINC000822214875 607226476 /nfs/dbraw/zinc/22/64/76/607226476.db2.gz BOEMSCUDSOPTDA-UHFFFAOYSA-N -1 3 383.416 0.627 20 0 GCADHM Cc1cc(NC(=O)CN2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)no1 ZINC000822214875 607226477 /nfs/dbraw/zinc/22/64/77/607226477.db2.gz BOEMSCUDSOPTDA-UHFFFAOYSA-N -1 3 383.416 0.627 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000820994465 607230499 /nfs/dbraw/zinc/23/04/99/607230499.db2.gz IPAUWSTXSOQVNX-BBRMVZONSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000820994465 607230500 /nfs/dbraw/zinc/23/05/00/607230500.db2.gz IPAUWSTXSOQVNX-BBRMVZONSA-N -1 3 392.485 0.598 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)c2ccnnc2)nn1-c1ccccc1 ZINC000822899542 607233226 /nfs/dbraw/zinc/23/32/26/607233226.db2.gz KGYVFYDWOAVZRT-UHFFFAOYSA-N -1 3 390.411 0.787 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)c2ccnnc2)nn1-c1ccccc1 ZINC000822899542 607233227 /nfs/dbraw/zinc/23/32/27/607233227.db2.gz KGYVFYDWOAVZRT-UHFFFAOYSA-N -1 3 390.411 0.787 20 0 GCADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1CCO[C@H](CO)C1 ZINC000823487896 607234720 /nfs/dbraw/zinc/23/47/20/607234720.db2.gz INRSVZXLAQGPON-HNNXBMFYSA-N -1 3 382.380 0.887 20 0 GCADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1CCO[C@H](CO)C1 ZINC000823487896 607234721 /nfs/dbraw/zinc/23/47/21/607234721.db2.gz INRSVZXLAQGPON-HNNXBMFYSA-N -1 3 382.380 0.887 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000822895769 607235341 /nfs/dbraw/zinc/23/53/41/607235341.db2.gz XGSUDGHIRJMFLD-CQSZACIVSA-N -1 3 378.458 0.469 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000822895769 607235342 /nfs/dbraw/zinc/23/53/42/607235342.db2.gz XGSUDGHIRJMFLD-CQSZACIVSA-N -1 3 378.458 0.469 20 0 GCADHM Cn1ncc2c1nc(CCC(=O)Oc1ccc(-c3nnn[n-]3)cc1F)[nH]c2=O ZINC000822709002 607250625 /nfs/dbraw/zinc/25/06/25/607250625.db2.gz DSTBBNWPJQIJKI-UHFFFAOYSA-N -1 3 384.331 0.926 20 0 GCADHM Cn1ncc2c1nc(CCC(=O)Oc1ccc(-c3nn[n-]n3)cc1F)[nH]c2=O ZINC000822709002 607250626 /nfs/dbraw/zinc/25/06/26/607250626.db2.gz DSTBBNWPJQIJKI-UHFFFAOYSA-N -1 3 384.331 0.926 20 0 GCADHM Cn1c(=O)c2ccc(C(=O)Oc3ccc(-c4nnn[n-]4)cc3F)nc2n(C)c1=O ZINC000822595972 607250699 /nfs/dbraw/zinc/25/06/99/607250699.db2.gz GAAALJPPCFLVDF-UHFFFAOYSA-N -1 3 397.326 0.171 20 0 GCADHM Cn1c(=O)c2ccc(C(=O)Oc3ccc(-c4nn[n-]n4)cc3F)nc2n(C)c1=O ZINC000822595972 607250700 /nfs/dbraw/zinc/25/07/00/607250700.db2.gz GAAALJPPCFLVDF-UHFFFAOYSA-N -1 3 397.326 0.171 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)cn1C)Cc1ccccc1OC ZINC000826104138 607772627 /nfs/dbraw/zinc/77/26/27/607772627.db2.gz QJZYPXNJILGTIQ-CYBMUJFWSA-N -1 3 398.423 0.976 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)cn1C)Cc1ccccc1OC ZINC000826104138 607772628 /nfs/dbraw/zinc/77/26/28/607772628.db2.gz QJZYPXNJILGTIQ-CYBMUJFWSA-N -1 3 398.423 0.976 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C2CC2)CC1 ZINC000824633290 607773304 /nfs/dbraw/zinc/77/33/04/607773304.db2.gz JYNOIPZYFUTVPR-LLVKDONJSA-N -1 3 390.469 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C2CC2)CC1 ZINC000824633290 607773305 /nfs/dbraw/zinc/77/33/05/607773305.db2.gz JYNOIPZYFUTVPR-LLVKDONJSA-N -1 3 390.469 0.840 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000826330517 607773531 /nfs/dbraw/zinc/77/35/31/607773531.db2.gz XWCOWPOEMJRPNL-UHFFFAOYSA-N -1 3 399.440 0.314 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)s1 ZINC000826330517 607773532 /nfs/dbraw/zinc/77/35/32/607773532.db2.gz XWCOWPOEMJRPNL-UHFFFAOYSA-N -1 3 399.440 0.314 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)N[C@H](CO)C1CC1 ZINC000826459420 607773968 /nfs/dbraw/zinc/77/39/68/607773968.db2.gz IVZDNLJSIPCWHL-GFCCVEGCSA-N -1 3 399.436 0.816 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)N[C@H](CO)C1CC1 ZINC000826459420 607773969 /nfs/dbraw/zinc/77/39/69/607773969.db2.gz IVZDNLJSIPCWHL-GFCCVEGCSA-N -1 3 399.436 0.816 20 0 GCADHM O=C(NC[C@@H](O)C1CC1)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826433062 607774058 /nfs/dbraw/zinc/77/40/58/607774058.db2.gz STFGRPZPFUPLAG-CYBMUJFWSA-N -1 3 399.436 0.816 20 0 GCADHM O=C(NC[C@@H](O)C1CC1)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826433062 607774059 /nfs/dbraw/zinc/77/40/59/607774059.db2.gz STFGRPZPFUPLAG-CYBMUJFWSA-N -1 3 399.436 0.816 20 0 GCADHM O=C(NCCN1CCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826437390 607775680 /nfs/dbraw/zinc/77/56/80/607775680.db2.gz JDFOJEMNSBTUNM-UHFFFAOYSA-N -1 3 383.334 0.646 20 0 GCADHM O=C(NCCN1CCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826437390 607775681 /nfs/dbraw/zinc/77/56/81/607775681.db2.gz JDFOJEMNSBTUNM-UHFFFAOYSA-N -1 3 383.334 0.646 20 0 GCADHM O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826434265 607776163 /nfs/dbraw/zinc/77/61/63/607776163.db2.gz IMCLAUNSGAGPEL-IBGZPJMESA-N -1 3 378.392 0.755 20 0 GCADHM O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826434265 607776164 /nfs/dbraw/zinc/77/61/64/607776164.db2.gz IMCLAUNSGAGPEL-IBGZPJMESA-N -1 3 378.392 0.755 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)N[C@H]1CCOC1 ZINC000826459383 607776425 /nfs/dbraw/zinc/77/64/25/607776425.db2.gz HRYSRCBPYCSQOF-NSHDSACASA-N -1 3 385.409 0.834 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)N[C@H]1CCOC1 ZINC000826459383 607776426 /nfs/dbraw/zinc/77/64/26/607776426.db2.gz HRYSRCBPYCSQOF-NSHDSACASA-N -1 3 385.409 0.834 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@]1(O)CCc2ccccc21 ZINC000826411901 607781697 /nfs/dbraw/zinc/78/16/97/607781697.db2.gz RNNXUHPETFUBLB-HXUWFJFHSA-N -1 3 392.419 0.547 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@]1(O)CCc2ccccc21 ZINC000826411901 607781698 /nfs/dbraw/zinc/78/16/98/607781698.db2.gz RNNXUHPETFUBLB-HXUWFJFHSA-N -1 3 392.419 0.547 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)N[C@H]2CCOC2)nn1-c1ccccc1 ZINC000826394999 607782606 /nfs/dbraw/zinc/78/26/06/607782606.db2.gz IKZKICBOVVNJQX-LBPRGKRZSA-N -1 3 397.443 0.655 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)N[C@H]2CCOC2)nn1-c1ccccc1 ZINC000826394999 607782607 /nfs/dbraw/zinc/78/26/07/607782607.db2.gz IKZKICBOVVNJQX-LBPRGKRZSA-N -1 3 397.443 0.655 20 0 GCADHM C[C@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)S(=O)(=O)C1CCOCC1 ZINC000824039843 607787832 /nfs/dbraw/zinc/78/78/32/607787832.db2.gz INHIFAJZMAOENT-LLVKDONJSA-N -1 3 379.442 0.812 20 0 GCADHM C[C@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)S(=O)(=O)C1CCOCC1 ZINC000824039843 607787833 /nfs/dbraw/zinc/78/78/33/607787833.db2.gz INHIFAJZMAOENT-LLVKDONJSA-N -1 3 379.442 0.812 20 0 GCADHM C[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824500355 607792944 /nfs/dbraw/zinc/79/29/44/607792944.db2.gz VQHDFWAGGQIOIC-RYUDHWBXSA-N -1 3 393.473 0.508 20 0 GCADHM C[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824500355 607792945 /nfs/dbraw/zinc/79/29/45/607792945.db2.gz VQHDFWAGGQIOIC-RYUDHWBXSA-N -1 3 393.473 0.508 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824500226 607793032 /nfs/dbraw/zinc/79/30/32/607793032.db2.gz VEDJECLQFORZGJ-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824500226 607793033 /nfs/dbraw/zinc/79/30/33/607793033.db2.gz VEDJECLQFORZGJ-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826437857 607793598 /nfs/dbraw/zinc/79/35/98/607793598.db2.gz DNIKWMYQHUQHSX-CQSZACIVSA-N -1 3 394.443 0.647 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826437857 607793599 /nfs/dbraw/zinc/79/35/99/607793599.db2.gz DNIKWMYQHUQHSX-CQSZACIVSA-N -1 3 394.443 0.647 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000824745255 607794265 /nfs/dbraw/zinc/79/42/65/607794265.db2.gz PXOLAARJJBGSMV-VXGBXAGGSA-N -1 3 394.457 0.032 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000824745255 607794266 /nfs/dbraw/zinc/79/42/66/607794266.db2.gz PXOLAARJJBGSMV-VXGBXAGGSA-N -1 3 394.457 0.032 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223472 607794711 /nfs/dbraw/zinc/79/47/11/607794711.db2.gz NUFXKDIEPVIWAN-ZDUSSCGKSA-N -1 3 378.458 0.197 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223472 607794712 /nfs/dbraw/zinc/79/47/12/607794712.db2.gz NUFXKDIEPVIWAN-ZDUSSCGKSA-N -1 3 378.458 0.197 20 0 GCADHM CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825368029 607799039 /nfs/dbraw/zinc/79/90/39/607799039.db2.gz ZKTVNGKMNDGTMD-UHFFFAOYSA-N -1 3 399.436 0.717 20 0 GCADHM CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825368029 607799040 /nfs/dbraw/zinc/79/90/40/607799040.db2.gz ZKTVNGKMNDGTMD-UHFFFAOYSA-N -1 3 399.436 0.717 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825424777 607801180 /nfs/dbraw/zinc/80/11/80/607801180.db2.gz QKTABDWHXUNINM-JTQLQIEISA-N -1 3 384.462 0.770 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825424244 607801439 /nfs/dbraw/zinc/80/14/39/607801439.db2.gz CHJOHGBYSZVOAU-AWEZNQCLSA-N -1 3 378.458 0.339 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825424244 607801440 /nfs/dbraw/zinc/80/14/40/607801440.db2.gz CHJOHGBYSZVOAU-AWEZNQCLSA-N -1 3 378.458 0.339 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000826277768 607803327 /nfs/dbraw/zinc/80/33/27/607803327.db2.gz GFYPXBYENADYTB-NSHDSACASA-N -1 3 379.446 0.578 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000826277768 607803328 /nfs/dbraw/zinc/80/33/28/607803328.db2.gz GFYPXBYENADYTB-NSHDSACASA-N -1 3 379.446 0.578 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826223114 607803356 /nfs/dbraw/zinc/80/33/56/607803356.db2.gz BQHTVMQXUMJNON-VIFPVBQESA-N -1 3 399.864 0.923 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826223114 607803357 /nfs/dbraw/zinc/80/33/57/607803357.db2.gz BQHTVMQXUMJNON-VIFPVBQESA-N -1 3 399.864 0.923 20 0 GCADHM CCS(=O)(=O)NCCCOC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825663732 607803840 /nfs/dbraw/zinc/80/38/40/607803840.db2.gz VEEMROWFQJBXAX-NSHDSACASA-N -1 3 383.430 0.507 20 0 GCADHM CCS(=O)(=O)NCCCOC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825663732 607803841 /nfs/dbraw/zinc/80/38/41/607803841.db2.gz VEEMROWFQJBXAX-NSHDSACASA-N -1 3 383.430 0.507 20 0 GCADHM CCS(=O)(=O)NCCCOC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825663329 607803918 /nfs/dbraw/zinc/80/39/18/607803918.db2.gz LSXWGAQDARYXRN-NSHDSACASA-N -1 3 383.430 0.507 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826454256 607805804 /nfs/dbraw/zinc/80/58/04/607805804.db2.gz OYTJWQQPCANXHM-UHFFFAOYSA-N -1 3 399.390 0.475 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826454256 607805805 /nfs/dbraw/zinc/80/58/05/607805805.db2.gz OYTJWQQPCANXHM-UHFFFAOYSA-N -1 3 399.390 0.475 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000826452832 607805956 /nfs/dbraw/zinc/80/59/56/607805956.db2.gz KQILDIBYHPLEOH-LBPRGKRZSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000826452832 607805957 /nfs/dbraw/zinc/80/59/57/607805957.db2.gz KQILDIBYHPLEOH-LBPRGKRZSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826456103 607806031 /nfs/dbraw/zinc/80/60/31/607806031.db2.gz QPKDQIRUBMMRAO-UHFFFAOYSA-N -1 3 381.400 0.336 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826456103 607806032 /nfs/dbraw/zinc/80/60/32/607806032.db2.gz QPKDQIRUBMMRAO-UHFFFAOYSA-N -1 3 381.400 0.336 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000826223280 607807099 /nfs/dbraw/zinc/80/70/99/607807099.db2.gz HNXMOMNQYBZJMO-SNVBAGLBSA-N -1 3 381.487 0.435 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000826223280 607807100 /nfs/dbraw/zinc/80/71/00/607807100.db2.gz HNXMOMNQYBZJMO-SNVBAGLBSA-N -1 3 381.487 0.435 20 0 GCADHM CCS(=O)(=O)NCCCSCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825663682 607807891 /nfs/dbraw/zinc/80/78/91/607807891.db2.gz UIJKVJLYCWCVRF-UHFFFAOYSA-N -1 3 398.514 0.546 20 0 GCADHM CCS(=O)(=O)NCCCSCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825663682 607807892 /nfs/dbraw/zinc/80/78/92/607807892.db2.gz UIJKVJLYCWCVRF-UHFFFAOYSA-N -1 3 398.514 0.546 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000826174508 607808742 /nfs/dbraw/zinc/80/87/42/607808742.db2.gz ZQGLBADYPHJNJN-UHFFFAOYSA-N -1 3 395.441 0.290 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000826174508 607808743 /nfs/dbraw/zinc/80/87/43/607808743.db2.gz ZQGLBADYPHJNJN-UHFFFAOYSA-N -1 3 395.441 0.290 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(Cn3ccnn3)CC2)c(-c2nnn[n-]2)c1 ZINC000826394710 607811118 /nfs/dbraw/zinc/81/11/18/607811118.db2.gz VIBMAIGMYPDGRC-UHFFFAOYSA-N -1 3 389.445 0.022 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(Cn3ccnn3)CC2)c(-c2nn[n-]n2)c1 ZINC000826394710 607811119 /nfs/dbraw/zinc/81/11/19/607811119.db2.gz VIBMAIGMYPDGRC-UHFFFAOYSA-N -1 3 389.445 0.022 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC(Cn2ccnn2)CC1 ZINC000826494452 607812388 /nfs/dbraw/zinc/81/23/88/607812388.db2.gz CUIYMYSSKVBUDI-UHFFFAOYSA-N -1 3 392.420 0.698 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC(Cn2ccnn2)CC1 ZINC000826494452 607812389 /nfs/dbraw/zinc/81/23/89/607812389.db2.gz CUIYMYSSKVBUDI-UHFFFAOYSA-N -1 3 392.420 0.698 20 0 GCADHM COC(=O)C1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826133672 607813935 /nfs/dbraw/zinc/81/39/35/607813935.db2.gz NXBRXGWFPPTLMX-UHFFFAOYSA-N -1 3 379.442 0.525 20 0 GCADHM COC(=O)C1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826133672 607813936 /nfs/dbraw/zinc/81/39/36/607813936.db2.gz NXBRXGWFPPTLMX-UHFFFAOYSA-N -1 3 379.442 0.525 20 0 GCADHM CC(C)[C@@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824226504 607814332 /nfs/dbraw/zinc/81/43/32/607814332.db2.gz ZOLRIVNLHSEILP-LBPRGKRZSA-N -1 3 378.414 0.217 20 0 GCADHM CC(C)[C@@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824226504 607814333 /nfs/dbraw/zinc/81/43/33/607814333.db2.gz ZOLRIVNLHSEILP-LBPRGKRZSA-N -1 3 378.414 0.217 20 0 GCADHM O=C1[C@@H]2CCCN2C(=O)N1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826477967 607814901 /nfs/dbraw/zinc/81/49/01/607814901.db2.gz QMFVOOJEBXTKQT-LBPRGKRZSA-N -1 3 376.398 0.067 20 0 GCADHM O=C1[C@@H]2CCCN2C(=O)N1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826477967 607814902 /nfs/dbraw/zinc/81/49/02/607814902.db2.gz QMFVOOJEBXTKQT-LBPRGKRZSA-N -1 3 376.398 0.067 20 0 GCADHM CC(=O)N[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823989144 607815016 /nfs/dbraw/zinc/81/50/16/607815016.db2.gz NRBISCDGYOWSLP-AWEZNQCLSA-N -1 3 378.458 0.241 20 0 GCADHM CC(=O)N[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823989144 607815017 /nfs/dbraw/zinc/81/50/17/607815017.db2.gz NRBISCDGYOWSLP-AWEZNQCLSA-N -1 3 378.458 0.241 20 0 GCADHM CC(C)[C@]1(C)NC(=O)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824215539 607815146 /nfs/dbraw/zinc/81/51/46/607815146.db2.gz LDPZHDHJVDVNCJ-INIZCTEOSA-N -1 3 392.441 0.607 20 0 GCADHM CC(C)[C@]1(C)NC(=O)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824215539 607815147 /nfs/dbraw/zinc/81/51/47/607815147.db2.gz LDPZHDHJVDVNCJ-INIZCTEOSA-N -1 3 392.441 0.607 20 0 GCADHM CCCC[C@@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825267139 607815298 /nfs/dbraw/zinc/81/52/98/607815298.db2.gz IUHGJWPDKIJZHH-ZDUSSCGKSA-N -1 3 392.441 0.751 20 0 GCADHM CCCC[C@@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825267139 607815299 /nfs/dbraw/zinc/81/52/99/607815299.db2.gz IUHGJWPDKIJZHH-ZDUSSCGKSA-N -1 3 392.441 0.751 20 0 GCADHM COCCN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000826159544 607815309 /nfs/dbraw/zinc/81/53/09/607815309.db2.gz JIJYZXLJECZJJE-CQSZACIVSA-N -1 3 394.501 0.293 20 0 GCADHM COCCN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000826159544 607815310 /nfs/dbraw/zinc/81/53/10/607815310.db2.gz JIJYZXLJECZJJE-CQSZACIVSA-N -1 3 394.501 0.293 20 0 GCADHM CCc1nnc(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1N ZINC000825771704 607816895 /nfs/dbraw/zinc/81/68/95/607816895.db2.gz ORSCVGDNTJNIFD-UHFFFAOYSA-N -1 3 380.459 0.300 20 0 GCADHM CCc1nnc(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1N ZINC000825771704 607816896 /nfs/dbraw/zinc/81/68/96/607816896.db2.gz ORSCVGDNTJNIFD-UHFFFAOYSA-N -1 3 380.459 0.300 20 0 GCADHM NC(=O)COc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826391691 607818948 /nfs/dbraw/zinc/81/89/48/607818948.db2.gz XLIVSDVQGBDFBC-UHFFFAOYSA-N -1 3 375.366 0.499 20 0 GCADHM NC(=O)COc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826391691 607818949 /nfs/dbraw/zinc/81/89/49/607818949.db2.gz XLIVSDVQGBDFBC-UHFFFAOYSA-N -1 3 375.366 0.499 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824906201 607828126 /nfs/dbraw/zinc/82/81/26/607828126.db2.gz AYQFYBULCBTUIE-DGCLKSJQSA-N -1 3 378.458 0.226 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824906201 607828127 /nfs/dbraw/zinc/82/81/27/607828127.db2.gz AYQFYBULCBTUIE-DGCLKSJQSA-N -1 3 378.458 0.226 20 0 GCADHM NC(=O)C[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826390471 607828232 /nfs/dbraw/zinc/82/82/32/607828232.db2.gz BAZQBOHOICCPSN-ZDUSSCGKSA-N -1 3 378.458 0.370 20 0 GCADHM NC(=O)C[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826390471 607828233 /nfs/dbraw/zinc/82/82/33/607828233.db2.gz BAZQBOHOICCPSN-ZDUSSCGKSA-N -1 3 378.458 0.370 20 0 GCADHM COCCOC[C@H]1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826160926 607829017 /nfs/dbraw/zinc/82/90/17/607829017.db2.gz MUZLTFVQLAYMDM-AWEZNQCLSA-N -1 3 395.485 0.625 20 0 GCADHM COCCOC[C@H]1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826160926 607829018 /nfs/dbraw/zinc/82/90/18/607829018.db2.gz MUZLTFVQLAYMDM-AWEZNQCLSA-N -1 3 395.485 0.625 20 0 GCADHM CC(=O)OC1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824009987 607829451 /nfs/dbraw/zinc/82/94/51/607829451.db2.gz GZOXWDACXYVSQZ-UHFFFAOYSA-N -1 3 379.442 0.668 20 0 GCADHM CC(=O)OC1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824009987 607829452 /nfs/dbraw/zinc/82/94/52/607829452.db2.gz GZOXWDACXYVSQZ-UHFFFAOYSA-N -1 3 379.442 0.668 20 0 GCADHM CC(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000823981016 607829489 /nfs/dbraw/zinc/82/94/89/607829489.db2.gz JEBRYPGBXQIAJO-LBPRGKRZSA-N -1 3 378.458 0.193 20 0 GCADHM CC(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000823981016 607829490 /nfs/dbraw/zinc/82/94/90/607829490.db2.gz JEBRYPGBXQIAJO-LBPRGKRZSA-N -1 3 378.458 0.193 20 0 GCADHM O=S(=O)(CCN1CCO[C@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484826 607829545 /nfs/dbraw/zinc/82/95/45/607829545.db2.gz QQQRAIUZLQCBCC-LBPRGKRZSA-N -1 3 391.375 0.904 20 0 GCADHM O=S(=O)(CCN1CCO[C@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484826 607829546 /nfs/dbraw/zinc/82/95/46/607829546.db2.gz QQQRAIUZLQCBCC-LBPRGKRZSA-N -1 3 391.375 0.904 20 0 GCADHM O=S(=O)(CCN1CCN2CCCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484747 607830027 /nfs/dbraw/zinc/83/00/27/607830027.db2.gz NYTOKUBGOUXNBZ-HNNXBMFYSA-N -1 3 376.486 0.811 20 0 GCADHM O=S(=O)(CCN1CCN2CCCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484747 607830028 /nfs/dbraw/zinc/83/00/28/607830028.db2.gz NYTOKUBGOUXNBZ-HNNXBMFYSA-N -1 3 376.486 0.811 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000826451932 607836058 /nfs/dbraw/zinc/83/60/58/607836058.db2.gz BTVDWNVVFBNARG-JKSUJKDBSA-N -1 3 396.407 0.406 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000826451932 607836059 /nfs/dbraw/zinc/83/60/59/607836059.db2.gz BTVDWNVVFBNARG-JKSUJKDBSA-N -1 3 396.407 0.406 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826455950 607836450 /nfs/dbraw/zinc/83/64/50/607836450.db2.gz KJYIVIGFYDRKPY-HZPDHXFCSA-N -1 3 396.407 0.406 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826455950 607836451 /nfs/dbraw/zinc/83/64/51/607836451.db2.gz KJYIVIGFYDRKPY-HZPDHXFCSA-N -1 3 396.407 0.406 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)S(C)(=O)=O ZINC000824420678 607836462 /nfs/dbraw/zinc/83/64/62/607836462.db2.gz NWBRITANKFIZFB-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)S(C)(=O)=O ZINC000824420678 607836463 /nfs/dbraw/zinc/83/64/63/607836463.db2.gz NWBRITANKFIZFB-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM CC[C@H](CCOC)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825114182 607836856 /nfs/dbraw/zinc/83/68/56/607836856.db2.gz KTDCSAATOPYJJX-WCQYABFASA-N -1 3 397.457 0.892 20 0 GCADHM CC[C@H](CCOC)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825114182 607836857 /nfs/dbraw/zinc/83/68/57/607836857.db2.gz KTDCSAATOPYJJX-WCQYABFASA-N -1 3 397.457 0.892 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000823975282 607851629 /nfs/dbraw/zinc/85/16/29/607851629.db2.gz VZTSHLAZIXSVGL-ZDUSSCGKSA-N -1 3 378.458 0.664 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000823975282 607851630 /nfs/dbraw/zinc/85/16/30/607851630.db2.gz VZTSHLAZIXSVGL-ZDUSSCGKSA-N -1 3 378.458 0.664 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)[C@@H]2C1 ZINC000826145534 607852670 /nfs/dbraw/zinc/85/26/70/607852670.db2.gz IKTJJHDRZYMJKM-BNOWGMLFSA-N -1 3 397.432 0.963 20 0 GCADHM Cn1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(C(F)F)n1 ZINC000826358281 607853869 /nfs/dbraw/zinc/85/38/69/607853869.db2.gz NBHOJDKXVJKYSD-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM Cn1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(C(F)F)n1 ZINC000826358281 607853870 /nfs/dbraw/zinc/85/38/70/607853870.db2.gz NBHOJDKXVJKYSD-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](C2CCOCC2)C1 ZINC000826432557 607856910 /nfs/dbraw/zinc/85/69/10/607856910.db2.gz FKTPFALUEHXPFS-INIZCTEOSA-N -1 3 384.440 0.872 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](C2CCOCC2)C1 ZINC000826432557 607856911 /nfs/dbraw/zinc/85/69/11/607856911.db2.gz FKTPFALUEHXPFS-INIZCTEOSA-N -1 3 384.440 0.872 20 0 GCADHM CCc1noc(C)c1NC(=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000825771399 607859882 /nfs/dbraw/zinc/85/98/82/607859882.db2.gz LDJFZVRMUZDSGL-UHFFFAOYSA-N -1 3 385.388 0.287 20 0 GCADHM CCc1noc(C)c1NC(=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000825771399 607859883 /nfs/dbraw/zinc/85/98/83/607859883.db2.gz LDJFZVRMUZDSGL-UHFFFAOYSA-N -1 3 385.388 0.287 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1cccc(N(C)C)n1 ZINC000826185632 607860843 /nfs/dbraw/zinc/86/08/43/607860843.db2.gz PFJSSNSZUQVMMX-UHFFFAOYSA-N -1 3 396.411 0.591 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1cccc(N(C)C)n1 ZINC000826185632 607860844 /nfs/dbraw/zinc/86/08/44/607860844.db2.gz PFJSSNSZUQVMMX-UHFFFAOYSA-N -1 3 396.411 0.591 20 0 GCADHM O=C(NC[C@]1(O)CCOC1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826434849 607862380 /nfs/dbraw/zinc/86/23/80/607862380.db2.gz ZSZUODUNTWCUSL-GOSISDBHSA-N -1 3 385.380 0.920 20 0 GCADHM O=C(NC[C@]1(O)CCOC1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826434849 607862381 /nfs/dbraw/zinc/86/23/81/607862381.db2.gz ZSZUODUNTWCUSL-GOSISDBHSA-N -1 3 385.380 0.920 20 0 GCADHM O=C(NC[C@]1(O)CCOC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826434489 607862403 /nfs/dbraw/zinc/86/24/03/607862403.db2.gz OFZYEAXVWFIPOK-GOSISDBHSA-N -1 3 385.380 0.920 20 0 GCADHM Cc1nc(-c2cccc(-c3nnn[n-]3)c2)nn1C[C@@H](O)COC1CCOCC1 ZINC000826322556 607869136 /nfs/dbraw/zinc/86/91/36/607869136.db2.gz RROZBLXUJUTPNF-OAHLLOKOSA-N -1 3 385.428 0.990 20 0 GCADHM Cc1nc(-c2cccc(-c3nn[n-]n3)c2)nn1C[C@@H](O)COC1CCOCC1 ZINC000826322556 607869137 /nfs/dbraw/zinc/86/91/37/607869137.db2.gz RROZBLXUJUTPNF-OAHLLOKOSA-N -1 3 385.428 0.990 20 0 GCADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)COc1cccc(-n2cnnn2)c1 ZINC000826504202 607872471 /nfs/dbraw/zinc/87/24/71/607872471.db2.gz PQZGYOBKKKSMML-AWEZNQCLSA-N -1 3 380.368 0.661 20 0 GCADHM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1sccc1-c1nnn[n-]1 ZINC000826482209 607876873 /nfs/dbraw/zinc/87/68/73/607876873.db2.gz WENKNGNJXGXESC-NSHDSACASA-N -1 3 384.377 0.898 20 0 GCADHM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1sccc1-c1nn[n-]n1 ZINC000826482209 607876874 /nfs/dbraw/zinc/87/68/74/607876874.db2.gz WENKNGNJXGXESC-NSHDSACASA-N -1 3 384.377 0.898 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000826174046 607880627 /nfs/dbraw/zinc/88/06/27/607880627.db2.gz GYGSDSJHZGHYLS-UHFFFAOYSA-N -1 3 393.381 0.938 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000826174046 607880628 /nfs/dbraw/zinc/88/06/28/607880628.db2.gz GYGSDSJHZGHYLS-UHFFFAOYSA-N -1 3 393.381 0.938 20 0 GCADHM O=C1N[C@@]2(CCOC2)C(=O)N1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826482966 607892913 /nfs/dbraw/zinc/89/29/13/607892913.db2.gz WHOVBFPBLJRZLU-OAHLLOKOSA-N -1 3 380.311 0.679 20 0 GCADHM O=C1N[C@@]2(CCOC2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826482966 607892914 /nfs/dbraw/zinc/89/29/14/607892914.db2.gz WHOVBFPBLJRZLU-OAHLLOKOSA-N -1 3 380.311 0.679 20 0 GCADHM O=C(CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)Nc1ccccc1F ZINC000826411183 607893424 /nfs/dbraw/zinc/89/34/24/607893424.db2.gz OBBUCKDADRVLHZ-UHFFFAOYSA-N -1 3 398.402 0.730 20 0 GCADHM O=C(CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)Nc1ccccc1F ZINC000826411183 607893425 /nfs/dbraw/zinc/89/34/25/607893425.db2.gz OBBUCKDADRVLHZ-UHFFFAOYSA-N -1 3 398.402 0.730 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825210624 607907026 /nfs/dbraw/zinc/90/70/26/607907026.db2.gz IPMRZQBDGZNGRJ-DOMZBBRYSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825210624 607907027 /nfs/dbraw/zinc/90/70/27/607907027.db2.gz IPMRZQBDGZNGRJ-DOMZBBRYSA-N -1 3 378.458 0.792 20 0 GCADHM COC[C@@H](CCO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000826149262 607908104 /nfs/dbraw/zinc/90/81/04/607908104.db2.gz DMADFKKIYJYPLH-SNVBAGLBSA-N -1 3 378.458 0.988 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NCC1CCS(=O)(=O)CC1 ZINC000826438631 607912079 /nfs/dbraw/zinc/91/20/79/607912079.db2.gz KLJZUDMXOPAVKF-UHFFFAOYSA-N -1 3 394.457 0.370 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)Nc1ccccc1F ZINC000826411469 607912108 /nfs/dbraw/zinc/91/21/08/607912108.db2.gz ZOPHSRIUWRYVIX-UHFFFAOYSA-N -1 3 398.402 0.730 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)Nc1ccccc1F ZINC000826411469 607912109 /nfs/dbraw/zinc/91/21/09/607912109.db2.gz ZOPHSRIUWRYVIX-UHFFFAOYSA-N -1 3 398.402 0.730 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NCC1CCS(=O)(=O)CC1 ZINC000826440715 607912114 /nfs/dbraw/zinc/91/21/14/607912114.db2.gz YAGLXDYEFSAAJZ-UHFFFAOYSA-N -1 3 382.421 0.630 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NCC1CCS(=O)(=O)CC1 ZINC000826440715 607912115 /nfs/dbraw/zinc/91/21/15/607912115.db2.gz YAGLXDYEFSAAJZ-UHFFFAOYSA-N -1 3 382.421 0.630 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1CCS(=O)(=O)CC1 ZINC000826186350 607918374 /nfs/dbraw/zinc/91/83/74/607918374.db2.gz OMOZSEIUHCENAH-UHFFFAOYSA-N -1 3 380.430 0.822 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1CCS(=O)(=O)CC1 ZINC000826186350 607918375 /nfs/dbraw/zinc/91/83/75/607918375.db2.gz OMOZSEIUHCENAH-UHFFFAOYSA-N -1 3 380.430 0.822 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H]1CCSC1 ZINC000824633321 607918720 /nfs/dbraw/zinc/91/87/20/607918720.db2.gz KUEPEMGWOYXVRX-ZYHUDNBSSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H]1CCSC1 ZINC000824633321 607918721 /nfs/dbraw/zinc/91/87/21/607918721.db2.gz KUEPEMGWOYXVRX-ZYHUDNBSSA-N -1 3 396.498 0.497 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000826067912 607919034 /nfs/dbraw/zinc/91/90/34/607919034.db2.gz NCTCUEUZWXITAT-LBPRGKRZSA-N -1 3 376.417 0.531 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000826067912 607919035 /nfs/dbraw/zinc/91/90/35/607919035.db2.gz NCTCUEUZWXITAT-LBPRGKRZSA-N -1 3 376.417 0.531 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000826090528 607925702 /nfs/dbraw/zinc/92/57/02/607925702.db2.gz IITRERSBIFSIDP-LBPRGKRZSA-N -1 3 394.457 0.167 20 0 GCADHM O=C(NCCc1cnc(C2CC2)nc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826439811 607928935 /nfs/dbraw/zinc/92/89/35/607928935.db2.gz LDIFIRCSRLJFJJ-UHFFFAOYSA-N -1 3 396.386 0.971 20 0 GCADHM O=C(NCCc1cnc(C2CC2)nc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826439811 607928936 /nfs/dbraw/zinc/92/89/36/607928936.db2.gz LDIFIRCSRLJFJJ-UHFFFAOYSA-N -1 3 396.386 0.971 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@@H](c3nccn3C)C2)cccc1-c1nnn[n-]1 ZINC000826241156 607929658 /nfs/dbraw/zinc/92/96/58/607929658.db2.gz SWTNIEDEGGFEPP-GFCCVEGCSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@@H](c3nccn3C)C2)cccc1-c1nn[n-]n1 ZINC000826241156 607929659 /nfs/dbraw/zinc/92/96/59/607929659.db2.gz SWTNIEDEGGFEPP-GFCCVEGCSA-N -1 3 380.412 0.863 20 0 GCADHM O=C(COC(=O)C[C@@H]1C=CS(=O)(=O)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826415907 607929768 /nfs/dbraw/zinc/92/97/68/607929768.db2.gz YAKGEBJEVRBRQX-JTQLQIEISA-N -1 3 377.382 0.297 20 0 GCADHM O=C(COC(=O)C[C@@H]1C=CS(=O)(=O)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826415907 607929769 /nfs/dbraw/zinc/92/97/69/607929769.db2.gz YAKGEBJEVRBRQX-JTQLQIEISA-N -1 3 377.382 0.297 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@H](c3nccn3C)C2)c1-c1nnn[n-]1 ZINC000826299119 607929818 /nfs/dbraw/zinc/92/98/18/607929818.db2.gz RNHHLQPSHCFVES-LBPRGKRZSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@H](c3nccn3C)C2)c1-c1nn[n-]n1 ZINC000826299119 607929819 /nfs/dbraw/zinc/92/98/19/607929819.db2.gz RNHHLQPSHCFVES-LBPRGKRZSA-N -1 3 380.412 0.863 20 0 GCADHM O=C([C@H]1CCc2n[nH]cc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826398808 607931443 /nfs/dbraw/zinc/93/14/43/607931443.db2.gz GLRGCCIUAISRNA-LBPRGKRZSA-N -1 3 379.428 0.439 20 0 GCADHM O=C([C@H]1CCc2n[nH]cc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826398808 607931444 /nfs/dbraw/zinc/93/14/44/607931444.db2.gz GLRGCCIUAISRNA-LBPRGKRZSA-N -1 3 379.428 0.439 20 0 GCADHM Cc1cc(CNC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)ncn1 ZINC000826266842 607940015 /nfs/dbraw/zinc/94/00/15/607940015.db2.gz DNTZNISPIBXSIF-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM Cc1cc(CNC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)ncn1 ZINC000826266842 607940016 /nfs/dbraw/zinc/94/00/16/607940016.db2.gz DNTZNISPIBXSIF-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM Cn1c(=O)cccc1C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826355177 607941016 /nfs/dbraw/zinc/94/10/16/607941016.db2.gz NKAAEMVGXDRDOC-UHFFFAOYSA-N -1 3 377.368 0.458 20 0 GCADHM Cn1c(=O)cccc1C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826355177 607941017 /nfs/dbraw/zinc/94/10/17/607941017.db2.gz NKAAEMVGXDRDOC-UHFFFAOYSA-N -1 3 377.368 0.458 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826450812 607944288 /nfs/dbraw/zinc/94/42/88/607944288.db2.gz FBXMGTGXMRSFFN-SSDOTTSWSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826450812 607944289 /nfs/dbraw/zinc/94/42/89/607944289.db2.gz FBXMGTGXMRSFFN-SSDOTTSWSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826482109 607947676 /nfs/dbraw/zinc/94/76/76/607947676.db2.gz SCXJZIWTNARRPH-UHFFFAOYSA-N -1 3 381.396 0.524 20 0 GCADHM O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826482109 607947677 /nfs/dbraw/zinc/94/76/77/607947677.db2.gz SCXJZIWTNARRPH-UHFFFAOYSA-N -1 3 381.396 0.524 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)s1 ZINC000826394335 607949075 /nfs/dbraw/zinc/94/90/75/607949075.db2.gz GJWBITFTXRWDEW-UHFFFAOYSA-N -1 3 390.450 0.707 20 0 GCADHM CN(CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)c1ncnc2nc[nH]c21 ZINC000825892607 607954944 /nfs/dbraw/zinc/95/49/44/607954944.db2.gz PWZKMZGIUOLRRV-UHFFFAOYSA-N -1 3 376.384 0.559 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN([C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1C ZINC000826342094 607957570 /nfs/dbraw/zinc/95/75/70/607957570.db2.gz YALORFKDMJBINN-GXTWGEPZSA-N -1 3 389.460 0.810 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN([C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1C ZINC000826342094 607957571 /nfs/dbraw/zinc/95/75/71/607957571.db2.gz YALORFKDMJBINN-GXTWGEPZSA-N -1 3 389.460 0.810 20 0 GCADHM NC(=O)COc1ccccc1C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826391344 607960359 /nfs/dbraw/zinc/96/03/59/607960359.db2.gz HDFOTCKLLADXGS-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM NC(=O)COc1ccccc1C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826391344 607960360 /nfs/dbraw/zinc/96/03/60/607960360.db2.gz HDFOTCKLLADXGS-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM NC(=O)c1cc(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)n[nH]1 ZINC000826393011 607961873 /nfs/dbraw/zinc/96/18/73/607961873.db2.gz XZKMUGIMXFDBDU-UHFFFAOYSA-N -1 3 383.372 0.436 20 0 GCADHM NC(=O)c1cc(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)n[nH]1 ZINC000826393011 607961874 /nfs/dbraw/zinc/96/18/74/607961874.db2.gz XZKMUGIMXFDBDU-UHFFFAOYSA-N -1 3 383.372 0.436 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000826419498 607963553 /nfs/dbraw/zinc/96/35/53/607963553.db2.gz ZVDJSBTVTWTGDX-HOCLYGCPSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000826419498 607963554 /nfs/dbraw/zinc/96/35/54/607963554.db2.gz ZVDJSBTVTWTGDX-HOCLYGCPSA-N -1 3 383.408 0.846 20 0 GCADHM CC(=O)N1CCOC[C@H]1C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823980309 607963887 /nfs/dbraw/zinc/96/38/87/607963887.db2.gz AXDSRUWDWUXPHU-KRWDZBQOSA-N -1 3 399.455 0.153 20 0 GCADHM CC(=O)N1CCOC[C@H]1C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823980309 607963888 /nfs/dbraw/zinc/96/38/88/607963888.db2.gz AXDSRUWDWUXPHU-KRWDZBQOSA-N -1 3 399.455 0.153 20 0 GCADHM Cc1cnc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)nc1 ZINC000826318909 607965293 /nfs/dbraw/zinc/96/52/93/607965293.db2.gz FYCNGWVNVLGMNN-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1cnc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)nc1 ZINC000826318909 607965294 /nfs/dbraw/zinc/96/52/94/607965294.db2.gz FYCNGWVNVLGMNN-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM CCOC(=O)CC(=O)CSCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825499984 607965469 /nfs/dbraw/zinc/96/54/69/607965469.db2.gz ZTEOLKGLQJZJNA-UHFFFAOYSA-N -1 3 398.466 0.896 20 0 GCADHM CCOC(=O)CC(=O)CSCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825499984 607965470 /nfs/dbraw/zinc/96/54/70/607965470.db2.gz ZTEOLKGLQJZJNA-UHFFFAOYSA-N -1 3 398.466 0.896 20 0 GCADHM CN1CC[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1 ZINC000826029379 607968363 /nfs/dbraw/zinc/96/83/63/607968363.db2.gz RQRFICPNDRFIDH-JSGCOSHPSA-N -1 3 382.428 0.121 20 0 GCADHM CCS(=O)(=O)CCN(C)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000825663920 607971719 /nfs/dbraw/zinc/97/17/19/607971719.db2.gz ZXNXUSBWWMLCOS-UHFFFAOYSA-N -1 3 390.473 0.758 20 0 GCADHM CCS(=O)(=O)CCN(C)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000825663920 607971720 /nfs/dbraw/zinc/97/17/20/607971720.db2.gz ZXNXUSBWWMLCOS-UHFFFAOYSA-N -1 3 390.473 0.758 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCSCC1 ZINC000826124194 607973162 /nfs/dbraw/zinc/97/31/62/607973162.db2.gz PVMIEHUEMLWHCF-UHFFFAOYSA-N -1 3 383.455 0.584 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCSCC1 ZINC000826124194 607973163 /nfs/dbraw/zinc/97/31/63/607973163.db2.gz PVMIEHUEMLWHCF-UHFFFAOYSA-N -1 3 383.455 0.584 20 0 GCADHM C[C@@H](Oc1cccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1)C(N)=O ZINC000824745687 607973423 /nfs/dbraw/zinc/97/34/23/607973423.db2.gz SNPRCKKNIGIHIC-GFCCVEGCSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@@H](Oc1cccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000824745687 607973424 /nfs/dbraw/zinc/97/34/24/607973424.db2.gz SNPRCKKNIGIHIC-GFCCVEGCSA-N -1 3 396.407 0.815 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CCSCC1 ZINC000826124797 607973510 /nfs/dbraw/zinc/97/35/10/607973510.db2.gz VMFFWYMSHWJIOA-UHFFFAOYSA-N -1 3 397.482 0.892 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CCSCC1 ZINC000826124797 607973511 /nfs/dbraw/zinc/97/35/11/607973511.db2.gz VMFFWYMSHWJIOA-UHFFFAOYSA-N -1 3 397.482 0.892 20 0 GCADHM O=C1CNC(=O)N1CCCOc1ccc(Br)cc1-c1nnn[n-]1 ZINC000826481486 607973938 /nfs/dbraw/zinc/97/39/38/607973938.db2.gz WOMFMDQMKJKMDQ-UHFFFAOYSA-N -1 3 381.190 0.950 20 0 GCADHM O=C1CNC(=O)N1CCCOc1ccc(Br)cc1-c1nn[n-]n1 ZINC000826481486 607973939 /nfs/dbraw/zinc/97/39/39/607973939.db2.gz WOMFMDQMKJKMDQ-UHFFFAOYSA-N -1 3 381.190 0.950 20 0 GCADHM CCS(=O)(=O)CCN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825662877 607974831 /nfs/dbraw/zinc/97/48/31/607974831.db2.gz CWUPDXWIGYJBPW-UHFFFAOYSA-N -1 3 395.413 0.200 20 0 GCADHM CCS(=O)(=O)CCN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825662877 607974832 /nfs/dbraw/zinc/97/48/32/607974832.db2.gz CWUPDXWIGYJBPW-UHFFFAOYSA-N -1 3 395.413 0.200 20 0 GCADHM CCn1cc(C(=O)C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)cn1 ZINC000825799839 607980520 /nfs/dbraw/zinc/98/05/20/607980520.db2.gz SWGXBUOMLIJMBM-UHFFFAOYSA-N -1 3 387.356 0.658 20 0 GCADHM COCC(=O)N(C)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826147690 607981867 /nfs/dbraw/zinc/98/18/67/607981867.db2.gz IDAJWCRVMKBKKT-UHFFFAOYSA-N -1 3 388.428 0.341 20 0 GCADHM COCC(=O)N(C)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826147690 607981868 /nfs/dbraw/zinc/98/18/68/607981868.db2.gz IDAJWCRVMKBKKT-UHFFFAOYSA-N -1 3 388.428 0.341 20 0 GCADHM COCC1(O)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826153028 607983462 /nfs/dbraw/zinc/98/34/62/607983462.db2.gz YYEPZNHONOCSEJ-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM COCC1(O)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826153028 607983463 /nfs/dbraw/zinc/98/34/63/607983463.db2.gz YYEPZNHONOCSEJ-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824289000 607986189 /nfs/dbraw/zinc/98/61/89/607986189.db2.gz SZGLEDROBBCRRO-CQSZACIVSA-N -1 3 383.474 0.361 20 0 GCADHM CCn1cc(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)cn1 ZINC000825800007 607987020 /nfs/dbraw/zinc/98/70/20/607987020.db2.gz YSADNOYNXSSJEB-UHFFFAOYSA-N -1 3 392.383 0.544 20 0 GCADHM CCn1cc(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)cn1 ZINC000825800007 607987021 /nfs/dbraw/zinc/98/70/21/607987021.db2.gz YSADNOYNXSSJEB-UHFFFAOYSA-N -1 3 392.383 0.544 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825663786 607991778 /nfs/dbraw/zinc/99/17/78/607991778.db2.gz WBYYSFUURIVVCY-JTQLQIEISA-N -1 3 384.462 0.770 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000826389972 607993589 /nfs/dbraw/zinc/99/35/89/607993589.db2.gz MQVPICGUUXFYPO-HOCLYGCPSA-N -1 3 377.408 0.872 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000826389972 607993590 /nfs/dbraw/zinc/99/35/90/607993590.db2.gz MQVPICGUUXFYPO-HOCLYGCPSA-N -1 3 377.408 0.872 20 0 GCADHM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825888910 608000834 /nfs/dbraw/zinc/00/08/34/608000834.db2.gz YUIVQAFBSOAHLS-UHFFFAOYSA-N -1 3 384.849 0.939 20 0 GCADHM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825888910 608000835 /nfs/dbraw/zinc/00/08/35/608000835.db2.gz YUIVQAFBSOAHLS-UHFFFAOYSA-N -1 3 384.849 0.939 20 0 GCADHM O=S(=O)(NC[C@@]1(CCO)CCOC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826490046 608000976 /nfs/dbraw/zinc/00/09/76/608000976.db2.gz IMVPDJXLZZWNSI-CQSZACIVSA-N -1 3 387.849 0.588 20 0 GCADHM O=S(=O)(NC[C@@]1(CCO)CCOC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826490046 608000977 /nfs/dbraw/zinc/00/09/77/608000977.db2.gz IMVPDJXLZZWNSI-CQSZACIVSA-N -1 3 387.849 0.588 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC2(CC1)OCCO2 ZINC000826485493 608001927 /nfs/dbraw/zinc/00/19/27/608001927.db2.gz SLSHMWJNAVPMJG-UHFFFAOYSA-N -1 3 383.405 0.675 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC2(CC1)OCCO2 ZINC000826485493 608001928 /nfs/dbraw/zinc/00/19/28/608001928.db2.gz SLSHMWJNAVPMJG-UHFFFAOYSA-N -1 3 383.405 0.675 20 0 GCADHM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824908929 608002257 /nfs/dbraw/zinc/00/22/57/608002257.db2.gz ROXMNYFPSURPAP-ONGXEEELSA-N -1 3 382.421 0.421 20 0 GCADHM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824908929 608002258 /nfs/dbraw/zinc/00/22/58/608002258.db2.gz ROXMNYFPSURPAP-ONGXEEELSA-N -1 3 382.421 0.421 20 0 GCADHM COCC1(O)CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000826153548 608007861 /nfs/dbraw/zinc/00/78/61/608007861.db2.gz RWIQLTKSTLXWRU-UHFFFAOYSA-N -1 3 398.427 0.248 20 0 GCADHM COCC1(O)CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000826153548 608007862 /nfs/dbraw/zinc/00/78/62/608007862.db2.gz RWIQLTKSTLXWRU-UHFFFAOYSA-N -1 3 398.427 0.248 20 0 GCADHM CCS(=O)(=O)CCN(C)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825659580 608008509 /nfs/dbraw/zinc/00/85/09/608008509.db2.gz VLYAQROXLFPFBW-OAHLLOKOSA-N -1 3 392.485 0.729 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N(C)CC(C)(CO)CO ZINC000826175547 608015101 /nfs/dbraw/zinc/01/51/01/608015101.db2.gz IQYSSTZOQWUJFG-UHFFFAOYSA-N -1 3 393.444 0.484 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N(C)CC(C)(CO)CO ZINC000826175547 608015102 /nfs/dbraw/zinc/01/51/02/608015102.db2.gz IQYSSTZOQWUJFG-UHFFFAOYSA-N -1 3 393.444 0.484 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(O)(C(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000826394364 608017495 /nfs/dbraw/zinc/01/74/95/608017495.db2.gz HLKNZJDLIVAHLA-UHFFFAOYSA-N -1 3 392.363 0.408 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(O)(C(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000826394364 608017496 /nfs/dbraw/zinc/01/74/96/608017496.db2.gz HLKNZJDLIVAHLA-UHFFFAOYSA-N -1 3 392.363 0.408 20 0 GCADHM CCOC(=O)C[C@@H](C)CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000825499920 608020242 /nfs/dbraw/zinc/02/02/42/608020242.db2.gz XSRRBTQYFBSUGM-LLVKDONJSA-N -1 3 376.421 0.562 20 0 GCADHM CCOC(=O)C[C@@H](C)CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000825499920 608020243 /nfs/dbraw/zinc/02/02/43/608020243.db2.gz XSRRBTQYFBSUGM-LLVKDONJSA-N -1 3 376.421 0.562 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)N[C@H]1CCSC1=O ZINC000826334888 608023704 /nfs/dbraw/zinc/02/37/04/608023704.db2.gz NTVKYQCWKUBMBQ-LBPRGKRZSA-N -1 3 384.425 0.582 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)N[C@H]1CCSC1=O ZINC000826334888 608023705 /nfs/dbraw/zinc/02/37/05/608023705.db2.gz NTVKYQCWKUBMBQ-LBPRGKRZSA-N -1 3 384.425 0.582 20 0 GCADHM NC(=O)c1[nH]nc2ccc(NC(=O)COc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000826393726 608028140 /nfs/dbraw/zinc/02/81/40/608028140.db2.gz GRMHPOXALNKWGH-UHFFFAOYSA-N -1 3 378.352 0.859 20 0 GCADHM NC(=O)c1[nH]nc2ccc(NC[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc21 ZINC000826393625 608028145 /nfs/dbraw/zinc/02/81/45/608028145.db2.gz BEOVANVFHYHKBU-QMMMGPOBSA-N -1 3 379.388 0.192 20 0 GCADHM NC(=O)c1[nH]nc2ccc(NC[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc21 ZINC000826393625 608028146 /nfs/dbraw/zinc/02/81/46/608028146.db2.gz BEOVANVFHYHKBU-QMMMGPOBSA-N -1 3 379.388 0.192 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2ccnn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826388638 608030619 /nfs/dbraw/zinc/03/06/19/608030619.db2.gz FRVDIVJMLNPBED-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2ccnn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826388638 608030620 /nfs/dbraw/zinc/03/06/20/608030620.db2.gz FRVDIVJMLNPBED-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)F ZINC000824671033 608038546 /nfs/dbraw/zinc/03/85/46/608038546.db2.gz VCHARRIVHGNJHI-GFCCVEGCSA-N -1 3 376.270 0.374 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000824671033 608038547 /nfs/dbraw/zinc/03/85/47/608038547.db2.gz VCHARRIVHGNJHI-GFCCVEGCSA-N -1 3 376.270 0.374 20 0 GCADHM C[C@H](C(=O)OCCn1ncc(-c2nnn[n-]2)c1N)N1CCc2ccccc2C1 ZINC000824051651 608039333 /nfs/dbraw/zinc/03/93/33/608039333.db2.gz BERZQFIXCKOMNL-GFCCVEGCSA-N -1 3 382.428 0.635 20 0 GCADHM C[C@H](C(=O)OCCn1ncc(-c2nn[n-]n2)c1N)N1CCc2ccccc2C1 ZINC000824051651 608039334 /nfs/dbraw/zinc/03/93/34/608039334.db2.gz BERZQFIXCKOMNL-GFCCVEGCSA-N -1 3 382.428 0.635 20 0 GCADHM COc1ccc2c(c1)OC[C@H]2CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000826212831 608039881 /nfs/dbraw/zinc/03/98/81/608039881.db2.gz CHBACUDWYLEXMF-SNVBAGLBSA-N -1 3 385.384 0.764 20 0 GCADHM COc1ccc2c(c1)OC[C@H]2CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000826212831 608039882 /nfs/dbraw/zinc/03/98/82/608039882.db2.gz CHBACUDWYLEXMF-SNVBAGLBSA-N -1 3 385.384 0.764 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC(S(N)(=O)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000826342050 608040463 /nfs/dbraw/zinc/04/04/63/608040463.db2.gz WOYLWKBTOGAXMK-SECBINFHSA-N -1 3 397.461 0.156 20 0 GCADHM C[C@@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCN1C ZINC000824984531 608042254 /nfs/dbraw/zinc/04/22/54/608042254.db2.gz LBJQIKKZGPBWER-CYBMUJFWSA-N -1 3 381.444 0.627 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000824045298 608043136 /nfs/dbraw/zinc/04/31/36/608043136.db2.gz KVYMYCRUGVBPEA-NSHDSACASA-N -1 3 398.427 0.210 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1C[C@H](O)C[C@@H]1C ZINC000826156966 608043526 /nfs/dbraw/zinc/04/35/26/608043526.db2.gz BQCNPWZIGCIRLD-SMDDNHRTSA-N -1 3 391.476 0.715 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN1C[C@H](O)C[C@@H]1C ZINC000826156966 608043527 /nfs/dbraw/zinc/04/35/27/608043527.db2.gz BQCNPWZIGCIRLD-SMDDNHRTSA-N -1 3 391.476 0.715 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCN(c2ncns2)CC1 ZINC000826496366 608047582 /nfs/dbraw/zinc/04/75/82/608047582.db2.gz TZEVKBSOBYBNJM-UHFFFAOYSA-N -1 3 378.443 0.229 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCN(c2ncns2)CC1 ZINC000826496366 608047583 /nfs/dbraw/zinc/04/75/83/608047583.db2.gz TZEVKBSOBYBNJM-UHFFFAOYSA-N -1 3 378.443 0.229 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncns2)CC1 ZINC000826493747 608047741 /nfs/dbraw/zinc/04/77/41/608047741.db2.gz AQNVNYQDVZKQRT-UHFFFAOYSA-N -1 3 378.443 0.229 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncns2)CC1 ZINC000826493747 608047742 /nfs/dbraw/zinc/04/77/42/608047742.db2.gz AQNVNYQDVZKQRT-UHFFFAOYSA-N -1 3 378.443 0.229 20 0 GCADHM Cn1c2ccncc2n(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1=O ZINC000826354578 608055052 /nfs/dbraw/zinc/05/50/52/608055052.db2.gz LFXUCLLBQQSEFY-QGZVFWFLSA-N -1 3 392.423 0.946 20 0 GCADHM Cn1c2ccncc2n(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1=O ZINC000826354578 608055053 /nfs/dbraw/zinc/05/50/53/608055053.db2.gz LFXUCLLBQQSEFY-QGZVFWFLSA-N -1 3 392.423 0.946 20 0 GCADHM O=c1n(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nc2cnccn21 ZINC000826501738 608055110 /nfs/dbraw/zinc/05/51/10/608055110.db2.gz FQDQXLWEZVSCAP-AWEZNQCLSA-N -1 3 379.384 0.102 20 0 GCADHM O=c1n(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nc2cnccn21 ZINC000826501738 608055111 /nfs/dbraw/zinc/05/51/11/608055111.db2.gz FQDQXLWEZVSCAP-AWEZNQCLSA-N -1 3 379.384 0.102 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826484553 608056220 /nfs/dbraw/zinc/05/62/20/608056220.db2.gz HJVDNMOKTSYYKO-DOMZBBRYSA-N -1 3 379.442 0.606 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826484553 608056221 /nfs/dbraw/zinc/05/62/21/608056221.db2.gz HJVDNMOKTSYYKO-DOMZBBRYSA-N -1 3 379.442 0.606 20 0 GCADHM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826104239 608057210 /nfs/dbraw/zinc/05/72/10/608057210.db2.gz SJGSGAMTWWZSPM-QMMMGPOBSA-N -1 3 395.775 0.995 20 0 GCADHM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826104239 608057211 /nfs/dbraw/zinc/05/72/11/608057211.db2.gz SJGSGAMTWWZSPM-QMMMGPOBSA-N -1 3 395.775 0.995 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826495709 608059975 /nfs/dbraw/zinc/05/99/75/608059975.db2.gz YMTZOLYGNVYDTK-UHFFFAOYSA-N -1 3 377.348 0.945 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826495709 608059976 /nfs/dbraw/zinc/05/99/76/608059976.db2.gz YMTZOLYGNVYDTK-UHFFFAOYSA-N -1 3 377.348 0.945 20 0 GCADHM O=C(NCCCn1cncn1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826437527 608061777 /nfs/dbraw/zinc/06/17/77/608061777.db2.gz PCNFRYRBMIJPMD-HNNXBMFYSA-N -1 3 383.416 0.631 20 0 GCADHM O=C(NCCCn1cncn1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826437527 608061778 /nfs/dbraw/zinc/06/17/78/608061778.db2.gz PCNFRYRBMIJPMD-HNNXBMFYSA-N -1 3 383.416 0.631 20 0 GCADHM CCCNC(=O)CCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825327946 608062000 /nfs/dbraw/zinc/06/20/00/608062000.db2.gz MWBGRCHQVQKGDD-HNNXBMFYSA-N -1 3 387.444 0.866 20 0 GCADHM CCCNC(=O)CCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825327946 608062001 /nfs/dbraw/zinc/06/20/01/608062001.db2.gz MWBGRCHQVQKGDD-HNNXBMFYSA-N -1 3 387.444 0.866 20 0 GCADHM Cc1noc(CCNC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826339729 608062902 /nfs/dbraw/zinc/06/29/02/608062902.db2.gz QOUZNFAJKRFEOD-AWEZNQCLSA-N -1 3 384.400 0.884 20 0 GCADHM Cc1noc(CCNC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826339729 608062903 /nfs/dbraw/zinc/06/29/03/608062903.db2.gz QOUZNFAJKRFEOD-AWEZNQCLSA-N -1 3 384.400 0.884 20 0 GCADHM O=S(=O)(CCN1CCCC2(C1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000826484905 608064232 /nfs/dbraw/zinc/06/42/32/608064232.db2.gz UDSOUXYGXAVCFV-UHFFFAOYSA-N -1 3 379.442 0.479 20 0 GCADHM O=S(=O)(CCN1CCCC2(C1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000826484905 608064233 /nfs/dbraw/zinc/06/42/33/608064233.db2.gz UDSOUXYGXAVCFV-UHFFFAOYSA-N -1 3 379.442 0.479 20 0 GCADHM CC[S@@](=O)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825668434 608064451 /nfs/dbraw/zinc/06/44/51/608064451.db2.gz FYOBYCLMBFMWCJ-IYJVBRSBSA-N -1 3 378.458 0.718 20 0 GCADHM CC[S@@](=O)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825668434 608064452 /nfs/dbraw/zinc/06/44/52/608064452.db2.gz FYOBYCLMBFMWCJ-IYJVBRSBSA-N -1 3 378.458 0.718 20 0 GCADHM CC[S@](=O)CCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825668486 608064521 /nfs/dbraw/zinc/06/45/21/608064521.db2.gz FYOBYCLMBFMWCJ-RXBISOJRSA-N -1 3 378.458 0.718 20 0 GCADHM CC[S@](=O)CCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825668486 608064522 /nfs/dbraw/zinc/06/45/22/608064522.db2.gz FYOBYCLMBFMWCJ-RXBISOJRSA-N -1 3 378.458 0.718 20 0 GCADHM CC[S@@](=O)CCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825668485 608064656 /nfs/dbraw/zinc/06/46/56/608064656.db2.gz FYOBYCLMBFMWCJ-RMKBEBRYSA-N -1 3 378.458 0.718 20 0 GCADHM CC[S@@](=O)CCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825668485 608064657 /nfs/dbraw/zinc/06/46/57/608064657.db2.gz FYOBYCLMBFMWCJ-RMKBEBRYSA-N -1 3 378.458 0.718 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824040464 608066902 /nfs/dbraw/zinc/06/69/02/608066902.db2.gz QIVSYIKSMGSCLI-XOKHGSTOSA-N -1 3 386.456 0.924 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824040464 608066903 /nfs/dbraw/zinc/06/69/03/608066903.db2.gz QIVSYIKSMGSCLI-XOKHGSTOSA-N -1 3 386.456 0.924 20 0 GCADHM Cn1cc(N2CC[C@@H](N3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)C2=O)cn1 ZINC000826362036 608067334 /nfs/dbraw/zinc/06/73/34/608067334.db2.gz ARGKBQGCTUSZAR-IAGOWNOFSA-N -1 3 394.439 0.779 20 0 GCADHM Cn1cc(N2CC[C@@H](N3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)C2=O)cn1 ZINC000826362036 608067335 /nfs/dbraw/zinc/06/73/35/608067335.db2.gz ARGKBQGCTUSZAR-IAGOWNOFSA-N -1 3 394.439 0.779 20 0 GCADHM Cn1cc(N2CC[C@H](N3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)C2=O)cn1 ZINC000826362037 608067557 /nfs/dbraw/zinc/06/75/57/608067557.db2.gz ARGKBQGCTUSZAR-IRXDYDNUSA-N -1 3 394.439 0.779 20 0 GCADHM Cn1cc(N2CC[C@H](N3CCO[C@H](c4cccc(-c5nn[n-]n5)c4)C3)C2=O)cn1 ZINC000826362037 608067558 /nfs/dbraw/zinc/06/75/58/608067558.db2.gz ARGKBQGCTUSZAR-IRXDYDNUSA-N -1 3 394.439 0.779 20 0 GCADHM O[C@H](COC[C@H]1CCCO1)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826504439 608067733 /nfs/dbraw/zinc/06/77/33/608067733.db2.gz WDHQZWZSPQEFSL-KSZLIROESA-N -1 3 389.456 0.797 20 0 GCADHM C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824777916 608068327 /nfs/dbraw/zinc/06/83/27/608068327.db2.gz LECJMDLZWUJSOQ-RISCZKNCSA-N -1 3 396.459 0.834 20 0 GCADHM C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824777916 608068328 /nfs/dbraw/zinc/06/83/28/608068328.db2.gz LECJMDLZWUJSOQ-RISCZKNCSA-N -1 3 396.459 0.834 20 0 GCADHM CCCCNC(=O)NC(=O)CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825285031 608070274 /nfs/dbraw/zinc/07/02/74/608070274.db2.gz HITNDLMFRWSHLJ-HNNXBMFYSA-N -1 3 387.444 0.866 20 0 GCADHM CCCCNC(=O)NC(=O)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825285031 608070275 /nfs/dbraw/zinc/07/02/75/608070275.db2.gz HITNDLMFRWSHLJ-HNNXBMFYSA-N -1 3 387.444 0.866 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C[C@H](C)O1 ZINC000824968500 608071496 /nfs/dbraw/zinc/07/14/96/608071496.db2.gz PSSHXJJNFPQGEX-VBQJREDUSA-N -1 3 386.456 0.876 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C[C@H](C)O1 ZINC000824968500 608071497 /nfs/dbraw/zinc/07/14/97/608071497.db2.gz PSSHXJJNFPQGEX-VBQJREDUSA-N -1 3 386.456 0.876 20 0 GCADHM CC[C@@H](CO)NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825119533 608072115 /nfs/dbraw/zinc/07/21/15/608072115.db2.gz DPZHNXPMMSFGGL-ZDUSSCGKSA-N -1 3 398.427 0.495 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000825700883 608074516 /nfs/dbraw/zinc/07/45/16/608074516.db2.gz XRQKOJVUNKWNGF-AWEZNQCLSA-N -1 3 397.395 0.956 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000825700883 608074517 /nfs/dbraw/zinc/07/45/17/608074517.db2.gz XRQKOJVUNKWNGF-AWEZNQCLSA-N -1 3 397.395 0.956 20 0 GCADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)N[C@@H](C)CO)c1C ZINC000826331383 608074676 /nfs/dbraw/zinc/07/46/76/608074676.db2.gz FWFKCTZOSZPNSX-VIFPVBQESA-N -1 3 384.400 0.105 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000826269339 608074743 /nfs/dbraw/zinc/07/47/43/608074743.db2.gz IWYZOLMAUPOLEY-ZDUSSCGKSA-N -1 3 383.368 0.702 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000826269339 608074744 /nfs/dbraw/zinc/07/47/44/608074744.db2.gz IWYZOLMAUPOLEY-ZDUSSCGKSA-N -1 3 383.368 0.702 20 0 GCADHM Cc1nc(SCC(=O)NCc2cncnc2N)c(-c2nnn[n-]2)c(C)c1C ZINC000826327671 608074827 /nfs/dbraw/zinc/07/48/27/608074827.db2.gz PQRJSNSWHBQNBR-UHFFFAOYSA-N -1 3 385.457 0.968 20 0 GCADHM Cc1nc(SCC(=O)NCc2cncnc2N)c(-c2nn[n-]n2)c(C)c1C ZINC000826327671 608074828 /nfs/dbraw/zinc/07/48/28/608074828.db2.gz PQRJSNSWHBQNBR-UHFFFAOYSA-N -1 3 385.457 0.968 20 0 GCADHM O=C(Nc1cccnc1)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826457571 608075358 /nfs/dbraw/zinc/07/53/58/608075358.db2.gz HHUUWBXLWGVARS-OAHLLOKOSA-N -1 3 379.380 0.800 20 0 GCADHM O=C(Nc1cccnc1)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826457571 608075359 /nfs/dbraw/zinc/07/53/59/608075359.db2.gz HHUUWBXLWGVARS-OAHLLOKOSA-N -1 3 379.380 0.800 20 0 GCADHM O=C(CCCN1C(=O)CCC1=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826405943 608080441 /nfs/dbraw/zinc/08/04/41/608080441.db2.gz AHEDLLIFTVCPCE-OAHLLOKOSA-N -1 3 398.423 0.696 20 0 GCADHM O=C(CCCN1C(=O)CCC1=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826405943 608080442 /nfs/dbraw/zinc/08/04/42/608080442.db2.gz AHEDLLIFTVCPCE-OAHLLOKOSA-N -1 3 398.423 0.696 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826223058 608081960 /nfs/dbraw/zinc/08/19/60/608081960.db2.gz ZNACRBHFZIWYFO-AWEZNQCLSA-N -1 3 379.442 0.591 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826223058 608081961 /nfs/dbraw/zinc/08/19/61/608081961.db2.gz ZNACRBHFZIWYFO-AWEZNQCLSA-N -1 3 379.442 0.591 20 0 GCADHM CCn1nc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1=O ZINC000825806724 608085306 /nfs/dbraw/zinc/08/53/06/608085306.db2.gz BHOKMYWGULRMTL-OAHLLOKOSA-N -1 3 381.396 0.657 20 0 GCADHM CCn1nc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1=O ZINC000825806724 608085307 /nfs/dbraw/zinc/08/53/07/608085307.db2.gz BHOKMYWGULRMTL-OAHLLOKOSA-N -1 3 381.396 0.657 20 0 GCADHM CS[C@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1N(C)C ZINC000826226967 608087775 /nfs/dbraw/zinc/08/77/75/608087775.db2.gz JGWYFWSHCFOYLX-CABCVRRESA-N -1 3 396.542 0.618 20 0 GCADHM O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826409954 608088687 /nfs/dbraw/zinc/08/86/87/608088687.db2.gz VWARULLJBHDHSF-MNOVXSKESA-N -1 3 392.485 0.563 20 0 GCADHM O=C(CN1C[C@@H](O)C[C@@H]1CO)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826409954 608088689 /nfs/dbraw/zinc/08/86/89/608088689.db2.gz VWARULLJBHDHSF-MNOVXSKESA-N -1 3 392.485 0.563 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)N1C(=O)CCC1=O ZINC000824040645 608089911 /nfs/dbraw/zinc/08/99/11/608089911.db2.gz RTVYQAQQSCYDCM-RISCZKNCSA-N -1 3 384.396 0.304 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)N1C(=O)CCC1=O ZINC000824040645 608089912 /nfs/dbraw/zinc/08/99/12/608089912.db2.gz RTVYQAQQSCYDCM-RISCZKNCSA-N -1 3 384.396 0.304 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)N1C(=O)CCC1=O ZINC000824040644 608090077 /nfs/dbraw/zinc/09/00/77/608090077.db2.gz RTVYQAQQSCYDCM-FZMZJTMJSA-N -1 3 384.396 0.304 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)N1C(=O)CCC1=O ZINC000824040644 608090078 /nfs/dbraw/zinc/09/00/78/608090078.db2.gz RTVYQAQQSCYDCM-FZMZJTMJSA-N -1 3 384.396 0.304 20 0 GCADHM CCc1nnc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[nH]1 ZINC000825745553 608097825 /nfs/dbraw/zinc/09/78/25/608097825.db2.gz NKEQQXHMCVMXQR-LURJTMIESA-N -1 3 384.372 0.865 20 0 GCADHM NC(=O)N[C@@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000826391963 608103753 /nfs/dbraw/zinc/10/37/53/608103753.db2.gz JAVZLOVDDMSTSK-GFCCVEGCSA-N -1 3 397.395 0.922 20 0 GCADHM CCCC[C@@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000825266425 608104101 /nfs/dbraw/zinc/10/41/01/608104101.db2.gz FZEIOSZQCFBQLE-CYBMUJFWSA-N -1 3 375.385 0.872 20 0 GCADHM CCCC[C@@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825266425 608104102 /nfs/dbraw/zinc/10/41/02/608104102.db2.gz FZEIOSZQCFBQLE-CYBMUJFWSA-N -1 3 375.385 0.872 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@@H](NC(N)=O)C1 ZINC000824053252 608104259 /nfs/dbraw/zinc/10/42/59/608104259.db2.gz WUZGMJRGLACHKH-RKDXNWHRSA-N -1 3 390.473 0.487 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@@H](NC(N)=O)C1 ZINC000824053252 608104260 /nfs/dbraw/zinc/10/42/60/608104260.db2.gz WUZGMJRGLACHKH-RKDXNWHRSA-N -1 3 390.473 0.487 20 0 GCADHM O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1sccc1-c1nnn[n-]1 ZINC000826421414 608104286 /nfs/dbraw/zinc/10/42/86/608104286.db2.gz HCUDNMRGYVGPID-QMMMGPOBSA-N -1 3 393.458 0.825 20 0 GCADHM O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1sccc1-c1nn[n-]n1 ZINC000826421414 608104287 /nfs/dbraw/zinc/10/42/87/608104287.db2.gz HCUDNMRGYVGPID-QMMMGPOBSA-N -1 3 393.458 0.825 20 0 GCADHM C[C@@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824721503 608107719 /nfs/dbraw/zinc/10/77/19/608107719.db2.gz AVURDTVVRJBCNT-SECBINFHSA-N -1 3 394.351 0.799 20 0 GCADHM C[C@@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824721503 608107720 /nfs/dbraw/zinc/10/77/20/608107720.db2.gz AVURDTVVRJBCNT-SECBINFHSA-N -1 3 394.351 0.799 20 0 GCADHM CCc1nnc([C@H](C)NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)[nH]1 ZINC000825740360 608108491 /nfs/dbraw/zinc/10/84/91/608108491.db2.gz STZAFZYMHUSGFX-VIFPVBQESA-N -1 3 393.415 0.806 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000826255495 608111635 /nfs/dbraw/zinc/11/16/35/608111635.db2.gz ZZESCJCGUOJFJX-UHFFFAOYSA-N -1 3 387.487 0.619 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000826255495 608111636 /nfs/dbraw/zinc/11/16/36/608111636.db2.gz ZZESCJCGUOJFJX-UHFFFAOYSA-N -1 3 387.487 0.619 20 0 GCADHM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CN1 ZINC000826479347 608111927 /nfs/dbraw/zinc/11/19/27/608111927.db2.gz WWINXFXMGSVVNM-TZMCWYRMSA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CN1 ZINC000826479347 608111928 /nfs/dbraw/zinc/11/19/28/608111928.db2.gz WWINXFXMGSVVNM-TZMCWYRMSA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccccc2-c2nnn[n-]2)CN1 ZINC000826479068 608111939 /nfs/dbraw/zinc/11/19/39/608111939.db2.gz PSOCDPSLLPFAHZ-WCQYABFASA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccccc2-c2nn[n-]n2)CN1 ZINC000826479068 608111940 /nfs/dbraw/zinc/11/19/40/608111940.db2.gz PSOCDPSLLPFAHZ-WCQYABFASA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CN1 ZINC000826479317 608112033 /nfs/dbraw/zinc/11/20/33/608112033.db2.gz WJPNPTOELXIYOC-OCCSQVGLSA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CN1 ZINC000826479317 608112034 /nfs/dbraw/zinc/11/20/34/608112034.db2.gz WJPNPTOELXIYOC-OCCSQVGLSA-N -1 3 376.442 0.546 20 0 GCADHM OCCSCc1ccnc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000826510534 608113455 /nfs/dbraw/zinc/11/34/55/608113455.db2.gz WPEHDDFAPCCGBJ-GFCCVEGCSA-N -1 3 387.473 0.838 20 0 GCADHM OCCSCc1ccnc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000826510534 608113456 /nfs/dbraw/zinc/11/34/56/608113456.db2.gz WPEHDDFAPCCGBJ-GFCCVEGCSA-N -1 3 387.473 0.838 20 0 GCADHM OCCSCc1ccnc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000826510535 608113511 /nfs/dbraw/zinc/11/35/11/608113511.db2.gz WPEHDDFAPCCGBJ-LBPRGKRZSA-N -1 3 387.473 0.838 20 0 GCADHM OCCSCc1ccnc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000826510535 608113512 /nfs/dbraw/zinc/11/35/12/608113512.db2.gz WPEHDDFAPCCGBJ-LBPRGKRZSA-N -1 3 387.473 0.838 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cn1 ZINC000826394280 608115769 /nfs/dbraw/zinc/11/57/69/608115769.db2.gz DUSDETIDZFFNAZ-UHFFFAOYSA-N -1 3 399.436 0.714 20 0 GCADHM C[C@@H](Oc1cccc(CO)c1)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000824738191 608116555 /nfs/dbraw/zinc/11/65/55/608116555.db2.gz MUTRFXBRUAUVAV-GFCCVEGCSA-N -1 3 383.412 0.750 20 0 GCADHM C[C@@H](Oc1cccc(CO)c1)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000824738191 608116556 /nfs/dbraw/zinc/11/65/56/608116556.db2.gz MUTRFXBRUAUVAV-GFCCVEGCSA-N -1 3 383.412 0.750 20 0 GCADHM C[C@H]1OCC[C@H]1NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825021749 608118173 /nfs/dbraw/zinc/11/81/73/608118173.db2.gz UCLWPRFJJWEHGD-VXNVDRBHSA-N -1 3 382.327 0.700 20 0 GCADHM C[C@H]1OCC[C@H]1NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825021749 608118174 /nfs/dbraw/zinc/11/81/74/608118174.db2.gz UCLWPRFJJWEHGD-VXNVDRBHSA-N -1 3 382.327 0.700 20 0 GCADHM CCC1(CO)CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825171255 608118451 /nfs/dbraw/zinc/11/84/51/608118451.db2.gz NXHFCLWWNXRVNN-UHFFFAOYSA-N -1 3 376.392 0.955 20 0 GCADHM CCC1(CO)CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825171255 608118452 /nfs/dbraw/zinc/11/84/52/608118452.db2.gz NXHFCLWWNXRVNN-UHFFFAOYSA-N -1 3 376.392 0.955 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000824632776 608121056 /nfs/dbraw/zinc/12/10/56/608121056.db2.gz DQSMYCUREOXOKW-BXUZGUMPSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000824632776 608121057 /nfs/dbraw/zinc/12/10/57/608121057.db2.gz DQSMYCUREOXOKW-BXUZGUMPSA-N -1 3 390.469 0.792 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826174946 608124582 /nfs/dbraw/zinc/12/45/82/608124582.db2.gz OBTFGTCAAQCNJE-UHFFFAOYSA-N -1 3 388.384 0.355 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826174946 608124583 /nfs/dbraw/zinc/12/45/83/608124583.db2.gz OBTFGTCAAQCNJE-UHFFFAOYSA-N -1 3 388.384 0.355 20 0 GCADHM O=C1NC2(CO1)CCN(S(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CC2 ZINC000799797382 608124973 /nfs/dbraw/zinc/12/49/73/608124973.db2.gz GNXGPBWGXRUSIO-UHFFFAOYSA-N -1 3 398.832 0.783 20 0 GCADHM O=C1NC2(CO1)CCN(S(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CC2 ZINC000799797382 608124974 /nfs/dbraw/zinc/12/49/74/608124974.db2.gz GNXGPBWGXRUSIO-UHFFFAOYSA-N -1 3 398.832 0.783 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000825957511 608125026 /nfs/dbraw/zinc/12/50/26/608125026.db2.gz AZWNRCNTBSDMIA-AWEZNQCLSA-N -1 3 378.458 0.975 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000825957511 608125027 /nfs/dbraw/zinc/12/50/27/608125027.db2.gz AZWNRCNTBSDMIA-AWEZNQCLSA-N -1 3 378.458 0.975 20 0 GCADHM CC(=O)NC1CCC(N(C)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823989077 608126086 /nfs/dbraw/zinc/12/60/86/608126086.db2.gz MBGSOTCANSASCW-UHFFFAOYSA-N -1 3 378.458 0.935 20 0 GCADHM CC(=O)NC1CCC(N(C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823989077 608126087 /nfs/dbraw/zinc/12/60/87/608126087.db2.gz MBGSOTCANSASCW-UHFFFAOYSA-N -1 3 378.458 0.935 20 0 GCADHM O=C(NCCCn1ccnn1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826437484 608130033 /nfs/dbraw/zinc/13/00/33/608130033.db2.gz NLXUMDORHSZAFN-UHFFFAOYSA-N -1 3 396.459 0.770 20 0 GCADHM O=C(NCCCn1ccnn1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826437484 608130034 /nfs/dbraw/zinc/13/00/34/608130034.db2.gz NLXUMDORHSZAFN-UHFFFAOYSA-N -1 3 396.459 0.770 20 0 GCADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824448720 608130218 /nfs/dbraw/zinc/13/02/18/608130218.db2.gz KUSHRZOHJLJIDJ-PFUSGODGSA-N -1 3 391.501 0.855 20 0 GCADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824448720 608130219 /nfs/dbraw/zinc/13/02/19/608130219.db2.gz KUSHRZOHJLJIDJ-PFUSGODGSA-N -1 3 391.501 0.855 20 0 GCADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000824449877 608130240 /nfs/dbraw/zinc/13/02/40/608130240.db2.gz PUNSDUBQGKQENV-RNUGCUGFSA-N -1 3 395.464 0.604 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000825957498 608135581 /nfs/dbraw/zinc/13/55/81/608135581.db2.gz ASUNQQNHQUDHTR-UHFFFAOYSA-N -1 3 383.416 0.810 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000825957498 608135582 /nfs/dbraw/zinc/13/55/82/608135582.db2.gz ASUNQQNHQUDHTR-UHFFFAOYSA-N -1 3 383.416 0.810 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CS(=O)(=O)CC(C)C ZINC000826161740 608138296 /nfs/dbraw/zinc/13/82/96/608138296.db2.gz XMPVSZUPFASYMH-UHFFFAOYSA-N -1 3 397.457 0.901 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1nc2ncccn2n1 ZINC000826161694 608139085 /nfs/dbraw/zinc/13/90/85/608139085.db2.gz VLFQNFYCJNQQJL-UHFFFAOYSA-N -1 3 395.383 0.511 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1nc2ncccn2n1 ZINC000826161694 608139086 /nfs/dbraw/zinc/13/90/86/608139086.db2.gz VLFQNFYCJNQQJL-UHFFFAOYSA-N -1 3 395.383 0.511 20 0 GCADHM CC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825043412 608139521 /nfs/dbraw/zinc/13/95/21/608139521.db2.gz HJYAHOTYEAUVGZ-QGZVFWFLSA-N -1 3 392.416 0.108 20 0 GCADHM CC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825043412 608139522 /nfs/dbraw/zinc/13/95/22/608139522.db2.gz HJYAHOTYEAUVGZ-QGZVFWFLSA-N -1 3 392.416 0.108 20 0 GCADHM CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825248788 608139642 /nfs/dbraw/zinc/13/96/42/608139642.db2.gz YMOBOCCYUGYIAV-GFCCVEGCSA-N -1 3 392.416 0.108 20 0 GCADHM CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825248788 608139643 /nfs/dbraw/zinc/13/96/43/608139643.db2.gz YMOBOCCYUGYIAV-GFCCVEGCSA-N -1 3 392.416 0.108 20 0 GCADHM CC[C@@H](O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825153174 608141094 /nfs/dbraw/zinc/14/10/94/608141094.db2.gz GZOUXEASLWFVDS-GFCCVEGCSA-N -1 3 392.416 0.108 20 0 GCADHM CC[C@@H](O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825153174 608141095 /nfs/dbraw/zinc/14/10/95/608141095.db2.gz GZOUXEASLWFVDS-GFCCVEGCSA-N -1 3 392.416 0.108 20 0 GCADHM CC[C@H](O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825153175 608141115 /nfs/dbraw/zinc/14/11/15/608141115.db2.gz GZOUXEASLWFVDS-LBPRGKRZSA-N -1 3 392.416 0.108 20 0 GCADHM CC[C@H](O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825153175 608141116 /nfs/dbraw/zinc/14/11/16/608141116.db2.gz GZOUXEASLWFVDS-LBPRGKRZSA-N -1 3 392.416 0.108 20 0 GCADHM O=C(NC[C@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826435495 608142212 /nfs/dbraw/zinc/14/22/12/608142212.db2.gz PLRHNUCRFDWAPI-SNVBAGLBSA-N -1 3 396.404 0.028 20 0 GCADHM O=C(NC[C@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826435495 608142213 /nfs/dbraw/zinc/14/22/13/608142213.db2.gz PLRHNUCRFDWAPI-SNVBAGLBSA-N -1 3 396.404 0.028 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C[S@](C)=O)cc1-c1nnn[n-]1 ZINC000824449310 608144461 /nfs/dbraw/zinc/14/44/61/608144461.db2.gz NRLXCQLYZPKIHZ-BLBHWQHRSA-N -1 3 394.457 0.476 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C[S@](C)=O)cc1-c1nn[n-]n1 ZINC000824449310 608144462 /nfs/dbraw/zinc/14/44/62/608144462.db2.gz NRLXCQLYZPKIHZ-BLBHWQHRSA-N -1 3 394.457 0.476 20 0 GCADHM O=C(NC[C@@H](O)CCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826433146 608146484 /nfs/dbraw/zinc/14/64/84/608146484.db2.gz WOYOSAXULXMHBJ-INIZCTEOSA-N -1 3 380.408 0.915 20 0 GCADHM O=C(NC[C@@H](O)CCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826433146 608146485 /nfs/dbraw/zinc/14/64/85/608146485.db2.gz WOYOSAXULXMHBJ-INIZCTEOSA-N -1 3 380.408 0.915 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824098843 608146502 /nfs/dbraw/zinc/14/65/02/608146502.db2.gz BAPJMMMHMVNPOA-UHFFFAOYSA-N -1 3 375.385 0.410 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824098843 608146503 /nfs/dbraw/zinc/14/65/03/608146503.db2.gz BAPJMMMHMVNPOA-UHFFFAOYSA-N -1 3 375.385 0.410 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000826452047 608147100 /nfs/dbraw/zinc/14/71/00/608147100.db2.gz GKQWPECKGYSTFD-UHFFFAOYSA-N -1 3 386.412 0.461 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000826452047 608147101 /nfs/dbraw/zinc/14/71/01/608147101.db2.gz GKQWPECKGYSTFD-UHFFFAOYSA-N -1 3 386.412 0.461 20 0 GCADHM O=S(=O)(CCC1CC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826484421 608151288 /nfs/dbraw/zinc/15/12/88/608151288.db2.gz CFGCQPUOSRWCHW-UHFFFAOYSA-N -1 3 377.474 0.950 20 0 GCADHM O=S(=O)(CCC1CC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826484421 608151289 /nfs/dbraw/zinc/15/12/89/608151289.db2.gz CFGCQPUOSRWCHW-UHFFFAOYSA-N -1 3 377.474 0.950 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000826458893 608158717 /nfs/dbraw/zinc/15/87/17/608158717.db2.gz LPYSQJAKPATJQX-SECBINFHSA-N -1 3 385.334 0.953 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000826458893 608158718 /nfs/dbraw/zinc/15/87/18/608158718.db2.gz LPYSQJAKPATJQX-SECBINFHSA-N -1 3 385.334 0.953 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476639 608161665 /nfs/dbraw/zinc/16/16/65/608161665.db2.gz QFPCINLAZYGPAG-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476639 608161666 /nfs/dbraw/zinc/16/16/66/608161666.db2.gz QFPCINLAZYGPAG-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476536 608161671 /nfs/dbraw/zinc/16/16/71/608161671.db2.gz MVZDTMKFPAWPLT-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476536 608161672 /nfs/dbraw/zinc/16/16/72/608161672.db2.gz MVZDTMKFPAWPLT-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825582800 608164905 /nfs/dbraw/zinc/16/49/05/608164905.db2.gz NSVYQZRVPUCABD-CQSZACIVSA-N -1 3 397.457 0.150 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825582800 608164906 /nfs/dbraw/zinc/16/49/06/608164906.db2.gz NSVYQZRVPUCABD-CQSZACIVSA-N -1 3 397.457 0.150 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000826417295 608166716 /nfs/dbraw/zinc/16/67/16/608166716.db2.gz MAFICFCONRXPGN-RDJZCZTQSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000826478505 608167319 /nfs/dbraw/zinc/16/73/19/608167319.db2.gz CNGHAOFVMQLWCV-JSGCOSHPSA-N -1 3 399.459 0.374 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000826478505 608167320 /nfs/dbraw/zinc/16/73/20/608167320.db2.gz CNGHAOFVMQLWCV-JSGCOSHPSA-N -1 3 399.459 0.374 20 0 GCADHM O=C1[C@@H](N2CCN3C(=O)OCC[C@@H]3C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476667 608168359 /nfs/dbraw/zinc/16/83/59/608168359.db2.gz MHMQCMIIKWLGKW-CABCVRRESA-N -1 3 383.412 0.499 20 0 GCADHM O=C1[C@@H](N2CCN3C(=O)OCC[C@@H]3C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476667 608168361 /nfs/dbraw/zinc/16/83/61/608168361.db2.gz MHMQCMIIKWLGKW-CABCVRRESA-N -1 3 383.412 0.499 20 0 GCADHM Cc1cnc([C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)o1 ZINC000826317482 608168824 /nfs/dbraw/zinc/16/88/24/608168824.db2.gz DVFSOQYEFITUER-JTQLQIEISA-N -1 3 392.397 0.746 20 0 GCADHM Cc1cnc([C@H](C)OC(=O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)o1 ZINC000826317482 608168825 /nfs/dbraw/zinc/16/88/25/608168825.db2.gz DVFSOQYEFITUER-JTQLQIEISA-N -1 3 392.397 0.746 20 0 GCADHM O=C1OCC[C@@H]2CN(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CCN12 ZINC000826483554 608170060 /nfs/dbraw/zinc/17/00/60/608170060.db2.gz RKORCGMFJZHCFS-CYBMUJFWSA-N -1 3 382.384 0.943 20 0 GCADHM O=C1OCC[C@@H]2CN(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)CCN12 ZINC000826483554 608170062 /nfs/dbraw/zinc/17/00/62/608170062.db2.gz RKORCGMFJZHCFS-CYBMUJFWSA-N -1 3 382.384 0.943 20 0 GCADHM O=C1OCC[C@@H]2CN(CCS(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCN12 ZINC000826483344 608170272 /nfs/dbraw/zinc/17/02/72/608170272.db2.gz KKCJYCUPXHEWIW-CYBMUJFWSA-N -1 3 392.441 0.167 20 0 GCADHM O=C1OCC[C@@H]2CN(CCS(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCN12 ZINC000826483344 608170274 /nfs/dbraw/zinc/17/02/74/608170274.db2.gz KKCJYCUPXHEWIW-CYBMUJFWSA-N -1 3 392.441 0.167 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826174734 608170650 /nfs/dbraw/zinc/17/06/50/608170650.db2.gz HOASCLKLGREMRR-GFCCVEGCSA-N -1 3 388.384 0.307 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826174734 608170651 /nfs/dbraw/zinc/17/06/51/608170651.db2.gz HOASCLKLGREMRR-GFCCVEGCSA-N -1 3 388.384 0.307 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H](CO)c1c(F)cccc1F ZINC000826413853 608174602 /nfs/dbraw/zinc/17/46/02/608174602.db2.gz UTQWXAGRKVGNMB-LBPRGKRZSA-N -1 3 375.339 0.802 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H](CO)c1c(F)cccc1F ZINC000826413853 608174604 /nfs/dbraw/zinc/17/46/04/608174604.db2.gz UTQWXAGRKVGNMB-LBPRGKRZSA-N -1 3 375.339 0.802 20 0 GCADHM O=C(OCCOc1cccc(-c2nnn[n-]2)c1)c1cnc2c(c1)NC(=O)CO2 ZINC000826481917 608178024 /nfs/dbraw/zinc/17/80/24/608178024.db2.gz LYYMEXRSRUJCIR-UHFFFAOYSA-N -1 3 382.336 0.828 20 0 GCADHM O=C(OCCOc1cccc(-c2nn[n-]n2)c1)c1cnc2c(c1)NC(=O)CO2 ZINC000826481917 608178026 /nfs/dbraw/zinc/17/80/26/608178026.db2.gz LYYMEXRSRUJCIR-UHFFFAOYSA-N -1 3 382.336 0.828 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C1CCS(=O)(=O)CC1 ZINC000825789333 608178784 /nfs/dbraw/zinc/17/87/84/608178784.db2.gz ZDNIGSVIPOJWRH-UHFFFAOYSA-N -1 3 389.441 1.000 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C1CCS(=O)(=O)CC1 ZINC000825789333 608178785 /nfs/dbraw/zinc/17/87/85/608178785.db2.gz ZDNIGSVIPOJWRH-UHFFFAOYSA-N -1 3 389.441 1.000 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCSc1nnnn1C ZINC000825789371 608179003 /nfs/dbraw/zinc/17/90/03/608179003.db2.gz ZXNKTCJAIGKSHL-UHFFFAOYSA-N -1 3 399.444 0.881 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCSc1nnnn1C ZINC000825789371 608179005 /nfs/dbraw/zinc/17/90/05/608179005.db2.gz ZXNKTCJAIGKSHL-UHFFFAOYSA-N -1 3 399.444 0.881 20 0 GCADHM CN1CCN(C[C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)CC1 ZINC000826037733 608182685 /nfs/dbraw/zinc/18/26/85/608182685.db2.gz BTEZNUUBGMLMPB-JTQLQIEISA-N -1 3 384.897 0.429 20 0 GCADHM O=C(N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1(O)CCSCC1 ZINC000826426568 608186071 /nfs/dbraw/zinc/18/60/71/608186071.db2.gz QIKRJNJKZJHUQW-UHFFFAOYSA-N -1 3 375.458 0.168 20 0 GCADHM O=C(N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1(O)CCSCC1 ZINC000826426568 608186073 /nfs/dbraw/zinc/18/60/73/608186073.db2.gz QIKRJNJKZJHUQW-UHFFFAOYSA-N -1 3 375.458 0.168 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)C1(C(=O)NC2CC2)CC1 ZINC000826444210 608193022 /nfs/dbraw/zinc/19/30/22/608193022.db2.gz WFOYGGSWQCPXCC-UHFFFAOYSA-N -1 3 392.423 0.932 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)C1(C(=O)NC2CC2)CC1 ZINC000826444210 608193024 /nfs/dbraw/zinc/19/30/24/608193024.db2.gz WFOYGGSWQCPXCC-UHFFFAOYSA-N -1 3 392.423 0.932 20 0 GCADHM CC[C@@H](C)N(OC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825067060 608193461 /nfs/dbraw/zinc/19/34/61/608193461.db2.gz GUXYOJRXQXFQAE-GHMZBOCLSA-N -1 3 382.446 0.722 20 0 GCADHM CC[C@@H](C)N(OC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825067060 608193462 /nfs/dbraw/zinc/19/34/62/608193462.db2.gz GUXYOJRXQXFQAE-GHMZBOCLSA-N -1 3 382.446 0.722 20 0 GCADHM O=C(N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)C1(O)CCSCC1 ZINC000826426116 608194293 /nfs/dbraw/zinc/19/42/93/608194293.db2.gz FXFNLOYNAJGVJL-UHFFFAOYSA-N -1 3 392.460 0.913 20 0 GCADHM O=C(N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)C1(O)CCSCC1 ZINC000826426116 608194295 /nfs/dbraw/zinc/19/42/95/608194295.db2.gz FXFNLOYNAJGVJL-UHFFFAOYSA-N -1 3 392.460 0.913 20 0 GCADHM O=C(N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1(O)CCSCC1 ZINC000826426791 608195843 /nfs/dbraw/zinc/19/58/43/608195843.db2.gz WPUWUKSSLFAMMF-UHFFFAOYSA-N -1 3 375.458 0.168 20 0 GCADHM O=C(N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1(O)CCSCC1 ZINC000826426791 608195846 /nfs/dbraw/zinc/19/58/46/608195846.db2.gz WPUWUKSSLFAMMF-UHFFFAOYSA-N -1 3 375.458 0.168 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000825476378 608196886 /nfs/dbraw/zinc/19/68/86/608196886.db2.gz IEESARFAVNPKJH-GFCCVEGCSA-N -1 3 377.474 0.659 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000825476378 608196888 /nfs/dbraw/zinc/19/68/88/608196888.db2.gz IEESARFAVNPKJH-GFCCVEGCSA-N -1 3 377.474 0.659 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@]1(C)CCOC1 ZINC000824633825 608199609 /nfs/dbraw/zinc/19/96/09/608199609.db2.gz QPMQAKLCBLIHMZ-MEDUHNTESA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@]1(C)CCOC1 ZINC000824633825 608199610 /nfs/dbraw/zinc/19/96/10/608199610.db2.gz QPMQAKLCBLIHMZ-MEDUHNTESA-N -1 3 395.441 0.503 20 0 GCADHM Cc1nc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000826326772 608201354 /nfs/dbraw/zinc/20/13/54/608201354.db2.gz DALKATJACIJCOQ-MRVPVSSYSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1nc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000826326772 608201355 /nfs/dbraw/zinc/20/13/55/608201355.db2.gz DALKATJACIJCOQ-MRVPVSSYSA-N -1 3 393.454 0.937 20 0 GCADHM CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1nc(-c2nc[nH]n2)no1 ZINC000824235156 608202208 /nfs/dbraw/zinc/20/22/08/608202208.db2.gz DDIIPAVBVVADJC-JTQLQIEISA-N -1 3 383.376 0.880 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NN1CCCCC1 ZINC000824634293 608205122 /nfs/dbraw/zinc/20/51/22/608205122.db2.gz VGZAHAGNMUSYRO-LLVKDONJSA-N -1 3 379.446 0.051 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NN1CCCCC1 ZINC000824634293 608205124 /nfs/dbraw/zinc/20/51/24/608205124.db2.gz VGZAHAGNMUSYRO-LLVKDONJSA-N -1 3 379.446 0.051 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826438866 608205386 /nfs/dbraw/zinc/20/53/86/608205386.db2.gz UCZFBHLDSQMRMD-KBXCAEBGSA-N -1 3 388.428 0.883 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000825476190 608205960 /nfs/dbraw/zinc/20/59/60/608205960.db2.gz BQWXDVMLMABYJU-LBPRGKRZSA-N -1 3 379.446 0.721 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000825476190 608205961 /nfs/dbraw/zinc/20/59/61/608205961.db2.gz BQWXDVMLMABYJU-LBPRGKRZSA-N -1 3 379.446 0.721 20 0 GCADHM C[C@@H](OC(=O)C1(O)CCSCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824713088 608209199 /nfs/dbraw/zinc/20/91/99/608209199.db2.gz GNTGJAZRHDAYBH-SNVBAGLBSA-N -1 3 377.426 0.995 20 0 GCADHM C[C@@H](OC(=O)C1(O)CCSCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824713088 608209201 /nfs/dbraw/zinc/20/92/01/608209201.db2.gz GNTGJAZRHDAYBH-SNVBAGLBSA-N -1 3 377.426 0.995 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C(=O)NCCO)cc1 ZINC000824757654 608212822 /nfs/dbraw/zinc/21/28/22/608212822.db2.gz ZMGDQHIINCYTJD-LBPRGKRZSA-N -1 3 396.407 0.995 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C(=O)NCCO)cc1 ZINC000824757654 608212824 /nfs/dbraw/zinc/21/28/24/608212824.db2.gz ZMGDQHIINCYTJD-LBPRGKRZSA-N -1 3 396.407 0.995 20 0 GCADHM CCCN(C(=O)CNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000825300507 608216901 /nfs/dbraw/zinc/21/69/01/608216901.db2.gz ARCLTTSUIHAWEN-LBPRGKRZSA-N -1 3 379.446 0.099 20 0 GCADHM CCCN(C(=O)CNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000825300507 608216903 /nfs/dbraw/zinc/21/69/03/608216903.db2.gz ARCLTTSUIHAWEN-LBPRGKRZSA-N -1 3 379.446 0.099 20 0 GCADHM NC(=O)N[C@H](CO)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826391974 608219200 /nfs/dbraw/zinc/21/92/00/608219200.db2.gz JROASAFDIRCWLB-OAHLLOKOSA-N -1 3 397.395 0.413 20 0 GCADHM NC(=O)N[C@H](CO)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826391974 608219201 /nfs/dbraw/zinc/21/92/01/608219201.db2.gz JROASAFDIRCWLB-OAHLLOKOSA-N -1 3 397.395 0.413 20 0 GCADHM Cc1cnc(CS(=O)(=O)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826318431 608220183 /nfs/dbraw/zinc/22/01/83/608220183.db2.gz JKIRNNVATAJNLD-UHFFFAOYSA-N -1 3 392.466 0.863 20 0 GCADHM CC(C)CNC(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824266198 608221009 /nfs/dbraw/zinc/22/10/09/608221009.db2.gz GPFSGVVEZULZES-GFCCVEGCSA-N -1 3 390.473 0.347 20 0 GCADHM CC(C)CNC(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824266198 608221011 /nfs/dbraw/zinc/22/10/11/608221011.db2.gz GPFSGVVEZULZES-GFCCVEGCSA-N -1 3 390.473 0.347 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825066623 608221223 /nfs/dbraw/zinc/22/12/23/608221223.db2.gz CLFWSHMXXWSWDC-PWSUYJOCSA-N -1 3 390.473 0.490 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825066623 608221224 /nfs/dbraw/zinc/22/12/24/608221224.db2.gz CLFWSHMXXWSWDC-PWSUYJOCSA-N -1 3 390.473 0.490 20 0 GCADHM CS(=O)(=O)Cc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826222952 608221939 /nfs/dbraw/zinc/22/19/39/608221939.db2.gz VEDJJLOFUIHOMU-UHFFFAOYSA-N -1 3 387.425 0.857 20 0 GCADHM CS(=O)(=O)Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826222952 608221940 /nfs/dbraw/zinc/22/19/40/608221940.db2.gz VEDJJLOFUIHOMU-UHFFFAOYSA-N -1 3 387.425 0.857 20 0 GCADHM CC(=O)Nc1ccc(CCNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823999986 608222281 /nfs/dbraw/zinc/22/22/81/608222281.db2.gz PTDRTLXQSNAZRH-UHFFFAOYSA-N -1 3 380.412 0.991 20 0 GCADHM CC(=O)Nc1ccc(CCNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823999986 608222283 /nfs/dbraw/zinc/22/22/83/608222283.db2.gz PTDRTLXQSNAZRH-UHFFFAOYSA-N -1 3 380.412 0.991 20 0 GCADHM Cc1ccc(N2CCCN(C(=O)CNc3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC000826290761 608223868 /nfs/dbraw/zinc/22/38/68/608223868.db2.gz YREWULJPLWEYSU-UHFFFAOYSA-N -1 3 394.443 0.511 20 0 GCADHM Cc1ccc(N2CCCN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC000826290761 608223869 /nfs/dbraw/zinc/22/38/69/608223869.db2.gz YREWULJPLWEYSU-UHFFFAOYSA-N -1 3 394.443 0.511 20 0 GCADHM C[C@H](c1cccnc1)N1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824771539 608224094 /nfs/dbraw/zinc/22/40/94/608224094.db2.gz QXTAMVHWFYVIHH-CQSZACIVSA-N -1 3 393.455 0.974 20 0 GCADHM C[C@H](c1cccnc1)N1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824771539 608224095 /nfs/dbraw/zinc/22/40/95/608224095.db2.gz QXTAMVHWFYVIHH-CQSZACIVSA-N -1 3 393.455 0.974 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C(=O)N1c1ccccc1 ZINC000824883314 608224404 /nfs/dbraw/zinc/22/44/04/608224404.db2.gz GHLKMUAXMUGGHB-SWLSCSKDSA-N -1 3 392.423 0.984 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C(=O)N1c1ccccc1 ZINC000824883314 608224406 /nfs/dbraw/zinc/22/44/06/608224406.db2.gz GHLKMUAXMUGGHB-SWLSCSKDSA-N -1 3 392.423 0.984 20 0 GCADHM CN(c1cccnn1)C1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826010852 608224554 /nfs/dbraw/zinc/22/45/54/608224554.db2.gz PYLRALFIEWBXFD-UHFFFAOYSA-N -1 3 394.443 0.591 20 0 GCADHM CN(c1cccnn1)C1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826010852 608224555 /nfs/dbraw/zinc/22/45/55/608224555.db2.gz PYLRALFIEWBXFD-UHFFFAOYSA-N -1 3 394.443 0.591 20 0 GCADHM C[C@H](O)C(=O)N1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824679009 608226990 /nfs/dbraw/zinc/22/69/90/608226990.db2.gz PXYMMNUUZZWSSC-VIFPVBQESA-N -1 3 395.876 0.742 20 0 GCADHM C[C@H](O)C(=O)N1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824679009 608226991 /nfs/dbraw/zinc/22/69/91/608226991.db2.gz PXYMMNUUZZWSSC-VIFPVBQESA-N -1 3 395.876 0.742 20 0 GCADHM Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000826336306 608238697 /nfs/dbraw/zinc/23/86/97/608238697.db2.gz UKUVHLYQBNKEHR-UHFFFAOYSA-N -1 3 395.427 0.815 20 0 GCADHM Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(-c2nn[n-]n2)c1C ZINC000826336306 608238698 /nfs/dbraw/zinc/23/86/98/608238698.db2.gz UKUVHLYQBNKEHR-UHFFFAOYSA-N -1 3 395.427 0.815 20 0 GCADHM CCc1nn(C)c(OC)c1CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000825759320 608241303 /nfs/dbraw/zinc/24/13/03/608241303.db2.gz CLCCWGIIAIGFCK-UHFFFAOYSA-N -1 3 392.445 0.431 20 0 GCADHM CCc1nn(C)c(OC)c1CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000825759320 608241304 /nfs/dbraw/zinc/24/13/04/608241304.db2.gz CLCCWGIIAIGFCK-UHFFFAOYSA-N -1 3 392.445 0.431 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826321345 608241478 /nfs/dbraw/zinc/24/14/78/608241478.db2.gz BPNJIFCNNMDHGC-CQSZACIVSA-N -1 3 389.441 0.969 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826321345 608241480 /nfs/dbraw/zinc/24/14/80/608241480.db2.gz BPNJIFCNNMDHGC-CQSZACIVSA-N -1 3 389.441 0.969 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)[C@H](O)C(F)(F)F ZINC000825133128 608244712 /nfs/dbraw/zinc/24/47/12/608244712.db2.gz JRXDEWLKHZXBDL-KCJUWKMLSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)[C@H](O)C(F)(F)F ZINC000825133128 608244714 /nfs/dbraw/zinc/24/47/14/608244714.db2.gz JRXDEWLKHZXBDL-KCJUWKMLSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@H](O)C(F)(F)F ZINC000825133989 608244789 /nfs/dbraw/zinc/24/47/89/608244789.db2.gz QZQBPXQIRWQGME-SCZZXKLOSA-N -1 3 390.297 0.762 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@H](O)C(F)(F)F ZINC000825133989 608244790 /nfs/dbraw/zinc/24/47/90/608244790.db2.gz QZQBPXQIRWQGME-SCZZXKLOSA-N -1 3 390.297 0.762 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826450882 608247682 /nfs/dbraw/zinc/24/76/82/608247682.db2.gz HQOIAQIRKRUUCX-SNVBAGLBSA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826450882 608247684 /nfs/dbraw/zinc/24/76/84/608247684.db2.gz HQOIAQIRKRUUCX-SNVBAGLBSA-N -1 3 389.803 0.292 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825759430 608249167 /nfs/dbraw/zinc/24/91/67/608249167.db2.gz GPASDUCOJDTWNS-UHFFFAOYSA-N -1 3 377.430 0.650 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825759430 608249169 /nfs/dbraw/zinc/24/91/69/608249169.db2.gz GPASDUCOJDTWNS-UHFFFAOYSA-N -1 3 377.430 0.650 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825759378 608249416 /nfs/dbraw/zinc/24/94/16/608249416.db2.gz DPJYNVDAYPYJLC-UHFFFAOYSA-N -1 3 391.457 0.958 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825759378 608249417 /nfs/dbraw/zinc/24/94/17/608249417.db2.gz DPJYNVDAYPYJLC-UHFFFAOYSA-N -1 3 391.457 0.958 20 0 GCADHM C[C@H](O)C(=O)N1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824677815 608249620 /nfs/dbraw/zinc/24/96/20/608249620.db2.gz HURUMJDFCGWFKS-LBPRGKRZSA-N -1 3 390.469 0.152 20 0 GCADHM C[C@H](O)C(=O)N1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677815 608249622 /nfs/dbraw/zinc/24/96/22/608249622.db2.gz HURUMJDFCGWFKS-LBPRGKRZSA-N -1 3 390.469 0.152 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826418336 608253108 /nfs/dbraw/zinc/25/31/08/608253108.db2.gz BGBSWLWCCZOCSZ-OAHLLOKOSA-N -1 3 387.396 0.426 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826418336 608253110 /nfs/dbraw/zinc/25/31/10/608253110.db2.gz BGBSWLWCCZOCSZ-OAHLLOKOSA-N -1 3 387.396 0.426 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826419215 608253202 /nfs/dbraw/zinc/25/32/02/608253202.db2.gz OJMCMVUNNKBBPO-CQSZACIVSA-N -1 3 387.396 0.426 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826419215 608253204 /nfs/dbraw/zinc/25/32/04/608253204.db2.gz OJMCMVUNNKBBPO-CQSZACIVSA-N -1 3 387.396 0.426 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826419214 608253236 /nfs/dbraw/zinc/25/32/36/608253236.db2.gz OJMCMVUNNKBBPO-AWEZNQCLSA-N -1 3 387.396 0.426 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826419214 608253238 /nfs/dbraw/zinc/25/32/38/608253238.db2.gz OJMCMVUNNKBBPO-AWEZNQCLSA-N -1 3 387.396 0.426 20 0 GCADHM CC[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](O)C(F)(F)F ZINC000825133665 608253451 /nfs/dbraw/zinc/25/34/51/608253451.db2.gz OXUKUMIOFBUFEO-JQWIXIFHSA-N -1 3 386.334 0.415 20 0 GCADHM CC[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](O)C(F)(F)F ZINC000825133665 608253453 /nfs/dbraw/zinc/25/34/53/608253453.db2.gz OXUKUMIOFBUFEO-JQWIXIFHSA-N -1 3 386.334 0.415 20 0 GCADHM CC[C@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)[C@@H](O)C(F)(F)F ZINC000825132546 608253457 /nfs/dbraw/zinc/25/34/57/608253457.db2.gz AOBCRFRYATUGRG-GXSJLCMTSA-N -1 3 388.354 0.675 20 0 GCADHM CC[C@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)[C@@H](O)C(F)(F)F ZINC000825132546 608253458 /nfs/dbraw/zinc/25/34/58/608253458.db2.gz AOBCRFRYATUGRG-GXSJLCMTSA-N -1 3 388.354 0.675 20 0 GCADHM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)OCCn1ccnc1 ZINC000826328245 608253591 /nfs/dbraw/zinc/25/35/91/608253591.db2.gz KIXAGOVZJBMPAG-UHFFFAOYSA-N -1 3 381.400 0.899 20 0 GCADHM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)OCCn1ccnc1 ZINC000826328245 608253592 /nfs/dbraw/zinc/25/35/92/608253592.db2.gz KIXAGOVZJBMPAG-UHFFFAOYSA-N -1 3 381.400 0.899 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)[C@H]1CCSC1 ZINC000825897492 608254522 /nfs/dbraw/zinc/25/45/22/608254522.db2.gz HINNOIGPEHQSLA-VIFPVBQESA-N -1 3 382.471 0.847 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)[C@H]1CCSC1 ZINC000825897492 608254523 /nfs/dbraw/zinc/25/45/23/608254523.db2.gz HINNOIGPEHQSLA-VIFPVBQESA-N -1 3 382.471 0.847 20 0 GCADHM Cc1oc(NC(=O)COC(=O)CN(C)[C@H]2CCSC2)c(-c2nnn[n-]2)c1C ZINC000826342381 608255620 /nfs/dbraw/zinc/25/56/20/608255620.db2.gz IERZLRJYDVDIDV-NSHDSACASA-N -1 3 394.457 0.996 20 0 GCADHM Cc1oc(NC(=O)COC(=O)CN(C)[C@H]2CCSC2)c(-c2nn[n-]n2)c1C ZINC000826342381 608255622 /nfs/dbraw/zinc/25/56/22/608255622.db2.gz IERZLRJYDVDIDV-NSHDSACASA-N -1 3 394.457 0.996 20 0 GCADHM O=C(CN1CCN2C(=O)CC[C@@H]2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826411376 608259691 /nfs/dbraw/zinc/25/96/91/608259691.db2.gz WIKSYENFSJYOMB-LLVKDONJSA-N -1 3 375.820 0.765 20 0 GCADHM O=C(CN1CCN2C(=O)CC[C@@H]2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826411376 608259694 /nfs/dbraw/zinc/25/96/94/608259694.db2.gz WIKSYENFSJYOMB-LLVKDONJSA-N -1 3 375.820 0.765 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826321332 608262081 /nfs/dbraw/zinc/26/20/81/608262081.db2.gz BGNXZGFORKZLGO-INIZCTEOSA-N -1 3 396.455 0.896 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826321332 608262083 /nfs/dbraw/zinc/26/20/83/608262083.db2.gz BGNXZGFORKZLGO-INIZCTEOSA-N -1 3 396.455 0.896 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2OC)C1=O ZINC000825176596 608265616 /nfs/dbraw/zinc/26/56/16/608265616.db2.gz ZHFZRPWSARPHCF-GOSISDBHSA-N -1 3 396.411 0.966 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2OC)C1=O ZINC000825176596 608265618 /nfs/dbraw/zinc/26/56/18/608265618.db2.gz ZHFZRPWSARPHCF-GOSISDBHSA-N -1 3 396.411 0.966 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824108320 608268425 /nfs/dbraw/zinc/26/84/25/608268425.db2.gz DPTZLWCAARNGQO-UHFFFAOYSA-N -1 3 389.416 0.124 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824108320 608268428 /nfs/dbraw/zinc/26/84/28/608268428.db2.gz DPTZLWCAARNGQO-UHFFFAOYSA-N -1 3 389.416 0.124 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC(OCCO)CC1 ZINC000826399089 608277407 /nfs/dbraw/zinc/27/74/07/608277407.db2.gz MRVSPSGJBPPEJX-QGZVFWFLSA-N -1 3 386.456 0.835 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825760165 608280283 /nfs/dbraw/zinc/28/02/83/608280283.db2.gz TYERXRGBXRIGRR-UHFFFAOYSA-N -1 3 398.427 0.217 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825760165 608280285 /nfs/dbraw/zinc/28/02/85/608280285.db2.gz TYERXRGBXRIGRR-UHFFFAOYSA-N -1 3 398.427 0.217 20 0 GCADHM CCOC(=O)C1CCN(C(=O)CN(C)c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC000825499607 608281035 /nfs/dbraw/zinc/28/10/35/608281035.db2.gz OXDXVADGHYEWBZ-UHFFFAOYSA-N -1 3 387.444 0.808 20 0 GCADHM CCOC(=O)C1CCN(C(=O)CN(C)c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC000825499607 608281036 /nfs/dbraw/zinc/28/10/36/608281036.db2.gz OXDXVADGHYEWBZ-UHFFFAOYSA-N -1 3 387.444 0.808 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC000825498991 608281383 /nfs/dbraw/zinc/28/13/83/608281383.db2.gz FROYJPACGBFCKZ-CYBMUJFWSA-N -1 3 387.444 0.808 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC000825498991 608281385 /nfs/dbraw/zinc/28/13/85/608281385.db2.gz FROYJPACGBFCKZ-CYBMUJFWSA-N -1 3 387.444 0.808 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC000825498992 608281405 /nfs/dbraw/zinc/28/14/05/608281405.db2.gz FROYJPACGBFCKZ-ZDUSSCGKSA-N -1 3 387.444 0.808 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC000825498992 608281407 /nfs/dbraw/zinc/28/14/07/608281407.db2.gz FROYJPACGBFCKZ-ZDUSSCGKSA-N -1 3 387.444 0.808 20 0 GCADHM Cc1cccn2c(=O)c(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)cnc12 ZINC000826308413 608293612 /nfs/dbraw/zinc/29/36/12/608293612.db2.gz YIDHMEBUINWSGS-UHFFFAOYSA-N -1 3 391.395 0.420 20 0 GCADHM Cc1cccn2c(=O)c(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)cnc12 ZINC000826308413 608293613 /nfs/dbraw/zinc/29/36/13/608293613.db2.gz YIDHMEBUINWSGS-UHFFFAOYSA-N -1 3 391.395 0.420 20 0 GCADHM C[C@]1([C@@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)NC(=O)NC1=O ZINC000824817696 608296589 /nfs/dbraw/zinc/29/65/89/608296589.db2.gz QKPPKDFFNQRJRF-CWTRNNRKSA-N -1 3 396.455 0.955 20 0 GCADHM C[C@]1([C@@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)NC(=O)NC1=O ZINC000824817696 608296591 /nfs/dbraw/zinc/29/65/91/608296591.db2.gz QKPPKDFFNQRJRF-CWTRNNRKSA-N -1 3 396.455 0.955 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826223146 608300388 /nfs/dbraw/zinc/30/03/88/608300388.db2.gz CKULKWPMVIEHPC-LLVKDONJSA-N -1 3 377.474 0.834 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826223146 608300389 /nfs/dbraw/zinc/30/03/89/608300389.db2.gz CKULKWPMVIEHPC-LLVKDONJSA-N -1 3 377.474 0.834 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN([C@H]2CCOC2)CC1 ZINC000826495561 608303730 /nfs/dbraw/zinc/30/37/30/608303730.db2.gz UCDZYBZLLBNTCX-LBPRGKRZSA-N -1 3 382.421 0.101 20 0 GCADHM COCCN(Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)[C@H](C)C(N)=O ZINC000826158379 608311371 /nfs/dbraw/zinc/31/13/71/608311371.db2.gz NEWKJQZQJOXRDH-CYBMUJFWSA-N -1 3 384.444 0.683 20 0 GCADHM COCCN(Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)[C@H](C)C(N)=O ZINC000826158379 608311373 /nfs/dbraw/zinc/31/13/73/608311373.db2.gz NEWKJQZQJOXRDH-CYBMUJFWSA-N -1 3 384.444 0.683 20 0 GCADHM CSCC[C@@H]1NC(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000826228226 608315240 /nfs/dbraw/zinc/31/52/40/608315240.db2.gz IUXYVZKETZNYCQ-NSHDSACASA-N -1 3 375.414 0.479 20 0 GCADHM CSCC[C@@H]1NC(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000826228226 608315242 /nfs/dbraw/zinc/31/52/42/608315242.db2.gz IUXYVZKETZNYCQ-NSHDSACASA-N -1 3 375.414 0.479 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCn3c(CO)nnc3C2)c1-c1nnn[n-]1 ZINC000826331881 608316283 /nfs/dbraw/zinc/31/62/83/608316283.db2.gz BNQZLYCTTSOSKE-UHFFFAOYSA-N -1 3 392.427 0.460 20 0 GCADHM Cc1nnc(COC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826335325 608317098 /nfs/dbraw/zinc/31/70/98/608317098.db2.gz IVKYZHZZLRXOMO-UHFFFAOYSA-N -1 3 395.426 0.048 20 0 GCADHM Cc1nnc(COC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826335325 608317100 /nfs/dbraw/zinc/31/71/00/608317100.db2.gz IVKYZHZZLRXOMO-UHFFFAOYSA-N -1 3 395.426 0.048 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826452940 608317636 /nfs/dbraw/zinc/31/76/36/608317636.db2.gz OYDBBAHCAHRFRK-UHFFFAOYSA-N -1 3 397.361 0.744 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826452940 608317638 /nfs/dbraw/zinc/31/76/38/608317638.db2.gz OYDBBAHCAHRFRK-UHFFFAOYSA-N -1 3 397.361 0.744 20 0 GCADHM O=C(CN1CCN(Cc2cccnc2)CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826411017 608319191 /nfs/dbraw/zinc/31/91/91/608319191.db2.gz HWPPMTHBXOMBIW-UHFFFAOYSA-N -1 3 392.467 0.696 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCSC[C@@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826332468 608321894 /nfs/dbraw/zinc/32/18/94/608321894.db2.gz VKLIBVRTEMLKDH-CQSZACIVSA-N -1 3 384.469 0.764 20 0 GCADHM NC(=O)[C@@H]1CSCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826391107 608322765 /nfs/dbraw/zinc/32/27/65/608322765.db2.gz XAIORFCZCMJIFD-NSHDSACASA-N -1 3 381.849 0.361 20 0 GCADHM NC(=O)[C@@H]1CSCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826391107 608322767 /nfs/dbraw/zinc/32/27/67/608322767.db2.gz XAIORFCZCMJIFD-NSHDSACASA-N -1 3 381.849 0.361 20 0 GCADHM NC(=O)[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000826389007 608327114 /nfs/dbraw/zinc/32/71/14/608327114.db2.gz OGQDCFOUMRCHQK-AWEZNQCLSA-N -1 3 390.400 0.652 20 0 GCADHM O=C(CN1CC(=O)NC1=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826409593 608328453 /nfs/dbraw/zinc/32/84/53/608328453.db2.gz GMLZGARVYJAGIB-UHFFFAOYSA-N -1 3 391.391 0.702 20 0 GCADHM CCOC(=O)CN(C1CC1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825512209 608328630 /nfs/dbraw/zinc/32/86/30/608328630.db2.gz YKJPYGDYQXTWKF-UHFFFAOYSA-N -1 3 383.405 0.863 20 0 GCADHM CCOC(=O)CN(C1CC1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825512209 608328632 /nfs/dbraw/zinc/32/86/32/608328632.db2.gz YKJPYGDYQXTWKF-UHFFFAOYSA-N -1 3 383.405 0.863 20 0 GCADHM O=C(CCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)NC1CC1 ZINC000826406466 608329047 /nfs/dbraw/zinc/32/90/47/608329047.db2.gz YHBZVPBBAJOUQQ-UHFFFAOYSA-N -1 3 382.421 0.484 20 0 GCADHM O=C(CCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)NC1CC1 ZINC000826406466 608329049 /nfs/dbraw/zinc/32/90/49/608329049.db2.gz YHBZVPBBAJOUQQ-UHFFFAOYSA-N -1 3 382.421 0.484 20 0 GCADHM C[C@H](NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)c1nnc2n1CCC2 ZINC000824632719 608331347 /nfs/dbraw/zinc/33/13/47/608331347.db2.gz CKYBPMJTBMNCAU-VIFPVBQESA-N -1 3 392.420 0.724 20 0 GCADHM C[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1nnc2n1CCC2 ZINC000824632719 608331349 /nfs/dbraw/zinc/33/13/49/608331349.db2.gz CKYBPMJTBMNCAU-VIFPVBQESA-N -1 3 392.420 0.724 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC000826328951 608332032 /nfs/dbraw/zinc/33/20/32/608332032.db2.gz KMXFIXNPIGOVCM-LBPRGKRZSA-N -1 3 392.420 0.340 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC000826328951 608332035 /nfs/dbraw/zinc/33/20/35/608332035.db2.gz KMXFIXNPIGOVCM-LBPRGKRZSA-N -1 3 392.420 0.340 20 0 GCADHM O=S(=O)(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCC2(CC1)OCCO2 ZINC000826491889 608332328 /nfs/dbraw/zinc/33/23/28/608332328.db2.gz IVUZKYQACNDOJF-UHFFFAOYSA-N -1 3 398.420 0.179 20 0 GCADHM O=S(=O)(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCC2(CC1)OCCO2 ZINC000826491889 608332330 /nfs/dbraw/zinc/33/23/30/608332330.db2.gz IVUZKYQACNDOJF-UHFFFAOYSA-N -1 3 398.420 0.179 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824860671 608333120 /nfs/dbraw/zinc/33/31/20/608333120.db2.gz XCIAJOOEXKNSTQ-MZEXLTETSA-N -1 3 387.462 0.677 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824860671 608333121 /nfs/dbraw/zinc/33/31/21/608333121.db2.gz XCIAJOOEXKNSTQ-MZEXLTETSA-N -1 3 387.462 0.677 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826390023 608333476 /nfs/dbraw/zinc/33/34/76/608333476.db2.gz OEBRLOUEQIUXOE-BXKDBHETSA-N -1 3 382.421 0.469 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826390023 608333478 /nfs/dbraw/zinc/33/34/78/608333478.db2.gz OEBRLOUEQIUXOE-BXKDBHETSA-N -1 3 382.421 0.469 20 0 GCADHM CN(CCN1CCCC1=O)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825937349 608333620 /nfs/dbraw/zinc/33/36/20/608333620.db2.gz AFXJNQRHXQPNOP-UHFFFAOYSA-N -1 3 382.421 0.390 20 0 GCADHM CN(CCN1CCCC1=O)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825937349 608333621 /nfs/dbraw/zinc/33/36/21/608333621.db2.gz AFXJNQRHXQPNOP-UHFFFAOYSA-N -1 3 382.421 0.390 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NCC[C@H](O)C(F)(F)F ZINC000826485845 608335360 /nfs/dbraw/zinc/33/53/60/608335360.db2.gz FVRVSYXQSVDVBJ-JTQLQIEISA-N -1 3 383.327 0.739 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCC[C@H](O)C(F)(F)F ZINC000826485845 608335362 /nfs/dbraw/zinc/33/53/62/608335362.db2.gz FVRVSYXQSVDVBJ-JTQLQIEISA-N -1 3 383.327 0.739 20 0 GCADHM CS(=O)(=O)c1cc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)cs1 ZINC000826223958 608336359 /nfs/dbraw/zinc/33/63/59/608336359.db2.gz IUZCWHRLMHKPDI-UHFFFAOYSA-N -1 3 393.454 0.569 20 0 GCADHM CS(=O)(=O)c1cc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)cs1 ZINC000826223958 608336362 /nfs/dbraw/zinc/33/63/62/608336362.db2.gz IUZCWHRLMHKPDI-UHFFFAOYSA-N -1 3 393.454 0.569 20 0 GCADHM COCCN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000826157252 608337957 /nfs/dbraw/zinc/33/79/57/608337957.db2.gz MZIKCQURNHYCKJ-NSHDSACASA-N -1 3 398.420 0.673 20 0 GCADHM COCCN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000826157252 608337959 /nfs/dbraw/zinc/33/79/59/608337959.db2.gz MZIKCQURNHYCKJ-NSHDSACASA-N -1 3 398.420 0.673 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)cn1 ZINC000826393331 608338249 /nfs/dbraw/zinc/33/82/49/608338249.db2.gz NMPFJQJTZQMJKY-UHFFFAOYSA-N -1 3 391.388 0.119 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCCn2ccnc2)n1 ZINC000824147183 608338717 /nfs/dbraw/zinc/33/87/17/608338717.db2.gz ATLVLYIYZJSRJR-UHFFFAOYSA-N -1 3 386.420 0.160 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCCn2ccnc2)n1 ZINC000824147183 608338719 /nfs/dbraw/zinc/33/87/19/608338719.db2.gz ATLVLYIYZJSRJR-UHFFFAOYSA-N -1 3 386.420 0.160 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000825471037 608339346 /nfs/dbraw/zinc/33/93/46/608339346.db2.gz MMMLGKDXYLWBJX-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000825471037 608339347 /nfs/dbraw/zinc/33/93/47/608339347.db2.gz MMMLGKDXYLWBJX-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@@H](C)C1 ZINC000823975136 608340194 /nfs/dbraw/zinc/34/01/94/608340194.db2.gz VBTZSYZLBFBKPM-BONVTDFDSA-N -1 3 396.448 0.682 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@@H](C)C1 ZINC000823975136 608340195 /nfs/dbraw/zinc/34/01/95/608340195.db2.gz VBTZSYZLBFBKPM-BONVTDFDSA-N -1 3 396.448 0.682 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000823975366 608340507 /nfs/dbraw/zinc/34/05/07/608340507.db2.gz XOAUBSJPRVDNQM-LBPRGKRZSA-N -1 3 396.448 0.636 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000823975366 608340509 /nfs/dbraw/zinc/34/05/09/608340509.db2.gz XOAUBSJPRVDNQM-LBPRGKRZSA-N -1 3 396.448 0.636 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826060637 608342392 /nfs/dbraw/zinc/34/23/92/608342392.db2.gz PZSXYMFIMFETNE-DGCLKSJQSA-N -1 3 382.421 0.340 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826060637 608342393 /nfs/dbraw/zinc/34/23/93/608342393.db2.gz PZSXYMFIMFETNE-DGCLKSJQSA-N -1 3 382.421 0.340 20 0 GCADHM COCCN(C(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000826157144 608350436 /nfs/dbraw/zinc/35/04/36/608350436.db2.gz JSSFQTHHGOZXNR-AWEZNQCLSA-N -1 3 394.457 0.212 20 0 GCADHM COCCN(C(=O)NCc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000826157144 608350438 /nfs/dbraw/zinc/35/04/38/608350438.db2.gz JSSFQTHHGOZXNR-AWEZNQCLSA-N -1 3 394.457 0.212 20 0 GCADHM Cc1nccn1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826331813 608351982 /nfs/dbraw/zinc/35/19/82/608351982.db2.gz YPFHLWHOFOJRKX-UHFFFAOYSA-N -1 3 386.420 0.078 20 0 GCADHM Cc1nccn1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826331813 608351983 /nfs/dbraw/zinc/35/19/83/608351983.db2.gz YPFHLWHOFOJRKX-UHFFFAOYSA-N -1 3 386.420 0.078 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1cccnc1Cl ZINC000826438184 608352468 /nfs/dbraw/zinc/35/24/68/608352468.db2.gz QTQMHXAOQGRYBC-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1cccnc1Cl ZINC000826438184 608352470 /nfs/dbraw/zinc/35/24/70/608352470.db2.gz QTQMHXAOQGRYBC-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000826169362 608352974 /nfs/dbraw/zinc/35/29/74/608352974.db2.gz QGAMVEAUBGCHKM-ZDUSSCGKSA-N -1 3 385.472 0.660 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000826169362 608352975 /nfs/dbraw/zinc/35/29/75/608352975.db2.gz QGAMVEAUBGCHKM-ZDUSSCGKSA-N -1 3 385.472 0.660 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000824472023 608354098 /nfs/dbraw/zinc/35/40/98/608354098.db2.gz UJRYSVJHHJAOQA-VIFPVBQESA-N -1 3 397.370 0.921 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000824472023 608354100 /nfs/dbraw/zinc/35/41/00/608354100.db2.gz UJRYSVJHHJAOQA-VIFPVBQESA-N -1 3 397.370 0.921 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@H]1CNS(C)(=O)=O ZINC000826169228 608354646 /nfs/dbraw/zinc/35/46/46/608354646.db2.gz LTJRUDJNPZCZBM-AWEZNQCLSA-N -1 3 380.474 0.779 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826308631 608355222 /nfs/dbraw/zinc/35/52/22/608355222.db2.gz INPQAJBBHAAOHJ-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826308631 608355223 /nfs/dbraw/zinc/35/52/23/608355223.db2.gz INPQAJBBHAAOHJ-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000826277064 608359966 /nfs/dbraw/zinc/35/99/66/608359966.db2.gz HYARIXIGKUNLBW-ZDUSSCGKSA-N -1 3 386.412 0.725 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000826277064 608359968 /nfs/dbraw/zinc/35/99/68/608359968.db2.gz HYARIXIGKUNLBW-ZDUSSCGKSA-N -1 3 386.412 0.725 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(C2OCCO2)CC1 ZINC000826277274 608360277 /nfs/dbraw/zinc/36/02/77/608360277.db2.gz PLKMHGIRAQVSAG-UHFFFAOYSA-N -1 3 386.412 0.725 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(C2OCCO2)CC1 ZINC000826277274 608360279 /nfs/dbraw/zinc/36/02/79/608360279.db2.gz PLKMHGIRAQVSAG-UHFFFAOYSA-N -1 3 386.412 0.725 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826277361 608360528 /nfs/dbraw/zinc/36/05/28/608360528.db2.gz RTODZOKKRQKIJK-HZPDHXFCSA-N -1 3 399.455 0.171 20 0 GCADHM 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608386430 /nfs/dbraw/zinc/38/64/30/608386430.db2.gz PXZXIJVOADQRHL-GWCFXTLKSA-N -1 3 375.458 0.789 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825465656 608386673 /nfs/dbraw/zinc/38/66/73/608386673.db2.gz PGVKGLNGFNTPRX-OAHLLOKOSA-N -1 3 389.435 0.375 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825465656 608386675 /nfs/dbraw/zinc/38/66/75/608386675.db2.gz PGVKGLNGFNTPRX-OAHLLOKOSA-N -1 3 389.435 0.375 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824104596 608388010 /nfs/dbraw/zinc/38/80/10/608388010.db2.gz VHKRFMPACNXSKP-LBPRGKRZSA-N -1 3 388.432 0.799 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824104596 608388012 /nfs/dbraw/zinc/38/80/12/608388012.db2.gz VHKRFMPACNXSKP-LBPRGKRZSA-N -1 3 388.432 0.799 20 0 GCADHM COC(=O)[C@H](NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111997 608390365 /nfs/dbraw/zinc/39/03/65/608390365.db2.gz 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608566369 /nfs/dbraw/zinc/56/63/69/608566369.db2.gz GERCIXSQIWPWDA-ZDUSSCGKSA-N -1 3 385.380 0.859 20 0 GCADHM C[C@H](O)CN(C)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824707551 608566854 /nfs/dbraw/zinc/56/68/54/608566854.db2.gz SPTOWCOHNLEFEL-ZETCQYMHSA-N -1 3 376.236 0.631 20 0 GCADHM C[C@H](O)CN(C)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824707551 608566855 /nfs/dbraw/zinc/56/68/55/608566855.db2.gz SPTOWCOHNLEFEL-ZETCQYMHSA-N -1 3 376.236 0.631 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCc2cnccn2)cc1 ZINC000826394884 608567020 /nfs/dbraw/zinc/56/70/20/608567020.db2.gz CSZMJXFYROTUAR-UHFFFAOYSA-N -1 3 376.384 0.397 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCc2cnccn2)cc1 ZINC000826394884 608567022 /nfs/dbraw/zinc/56/70/22/608567022.db2.gz CSZMJXFYROTUAR-UHFFFAOYSA-N -1 3 376.384 0.397 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCSC[C@H]1CO ZINC000826494702 608567667 /nfs/dbraw/zinc/56/76/67/608567667.db2.gz MINWCUFUXSOENC-MRVPVSSYSA-N -1 3 375.863 0.619 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCSC[C@H]1CO ZINC000826494702 608567668 /nfs/dbraw/zinc/56/76/68/608567668.db2.gz MINWCUFUXSOENC-MRVPVSSYSA-N -1 3 375.863 0.619 20 0 GCADHM CCN1CCOC[C@H]1C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825465113 608567979 /nfs/dbraw/zinc/56/79/79/608567979.db2.gz IOEANOCOBDZRHZ-KRWDZBQOSA-N -1 3 385.472 0.672 20 0 GCADHM CCN1CCOC[C@H]1C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825465113 608567981 /nfs/dbraw/zinc/56/79/81/608567981.db2.gz IOEANOCOBDZRHZ-KRWDZBQOSA-N -1 3 385.472 0.672 20 0 GCADHM NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000826391694 608575731 /nfs/dbraw/zinc/57/57/31/608575731.db2.gz XQAXZWUAOUHGQZ-UHFFFAOYSA-N -1 3 399.798 0.988 20 0 GCADHM NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000826391694 608575732 /nfs/dbraw/zinc/57/57/32/608575732.db2.gz XQAXZWUAOUHGQZ-UHFFFAOYSA-N -1 3 399.798 0.988 20 0 GCADHM NC(=O)C[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000826390512 608577424 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C[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)[C@H](C)CN1C ZINC000824978332 608597043 /nfs/dbraw/zinc/59/70/43/608597043.db2.gz VSGMVHSCSUMCKP-VXGBXAGGSA-N -1 3 381.444 0.799 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(CCOC)C(=O)C1 ZINC000825621701 608600609 /nfs/dbraw/zinc/60/06/09/608600609.db2.gz XUWRZDNWWDQMRW-UHFFFAOYSA-N -1 3 389.416 0.588 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(CCOC)C(=O)C1 ZINC000825621701 608600610 /nfs/dbraw/zinc/60/06/10/608600610.db2.gz XUWRZDNWWDQMRW-UHFFFAOYSA-N -1 3 389.416 0.588 20 0 GCADHM CCN1C[C@H](C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)CC1=O ZINC000825443281 608603206 /nfs/dbraw/zinc/60/32/06/608603206.db2.gz BJDBGAWFMBQDBH-WLYUNCDWSA-N -1 3 399.455 0.936 20 0 GCADHM CCN1C[C@H](C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)CC1=O ZINC000825443281 608603208 /nfs/dbraw/zinc/60/32/08/608603208.db2.gz BJDBGAWFMBQDBH-WLYUNCDWSA-N -1 3 399.455 0.936 20 0 GCADHM COCCN1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1=O ZINC000826159885 608614658 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20 0 GCADHM C[C@H](CC(N)=O)NC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824394290 608621619 /nfs/dbraw/zinc/62/16/19/608621619.db2.gz XAIUURGNFLZNQY-QFWMXSHPSA-N -1 3 388.432 0.515 20 0 GCADHM C[C@H](CC(N)=O)NC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824394290 608621621 /nfs/dbraw/zinc/62/16/21/608621621.db2.gz XAIUURGNFLZNQY-QFWMXSHPSA-N -1 3 388.432 0.515 20 0 GCADHM CCN(CCO)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825424204 608624893 /nfs/dbraw/zinc/62/48/93/608624893.db2.gz ALXQBQQZPSYENB-UHFFFAOYSA-N -1 3 375.433 0.976 20 0 GCADHM CCN(CCO)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825424204 608624894 /nfs/dbraw/zinc/62/48/94/608624894.db2.gz ALXQBQQZPSYENB-UHFFFAOYSA-N -1 3 375.433 0.976 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823987616 608636872 /nfs/dbraw/zinc/63/68/72/608636872.db2.gz AMOHUNIFSUSYPW-UHFFFAOYSA-N -1 3 387.444 0.983 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823987616 608636873 /nfs/dbraw/zinc/63/68/73/608636873.db2.gz AMOHUNIFSUSYPW-UHFFFAOYSA-N -1 3 387.444 0.983 20 0 GCADHM Cc1cnn(C[C@@H]2CN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CCO2)c1 ZINC000826320173 608691596 /nfs/dbraw/zinc/69/15/96/608691596.db2.gz IUNMJBLBRJPWGM-INIZCTEOSA-N -1 3 379.428 0.920 20 0 GCADHM Cc1cnn(C[C@@H]2CN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CCO2)c1 ZINC000826320173 608691599 /nfs/dbraw/zinc/69/15/99/608691599.db2.gz IUNMJBLBRJPWGM-INIZCTEOSA-N -1 3 379.428 0.920 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826084042 608702246 /nfs/dbraw/zinc/70/22/46/608702246.db2.gz UKDADKMAHOOKBY-CYBMUJFWSA-N -1 3 376.446 0.028 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000826084042 608702248 /nfs/dbraw/zinc/70/22/48/608702248.db2.gz UKDADKMAHOOKBY-CYBMUJFWSA-N -1 3 376.446 0.028 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC000826394360 608765104 /nfs/dbraw/zinc/76/51/04/608765104.db2.gz HEOVBURNXAKSCH-UHFFFAOYSA-N -1 3 394.363 0.722 20 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/nfs/dbraw/zinc/76/99/20/608769920.db2.gz AGSKZIMKHAAYIP-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)nc1 ZINC000826394380 608770092 /nfs/dbraw/zinc/77/00/92/608770092.db2.gz IAHUIPVNTQXYSI-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)nc1 ZINC000826394380 608770094 /nfs/dbraw/zinc/77/00/94/608770094.db2.gz IAHUIPVNTQXYSI-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM O=S(=O)(N1CCN(c2cnccc2-c2nnn[n-]2)CC1)N1CCCCCC1 ZINC000826487606 608770588 /nfs/dbraw/zinc/77/05/88/608770588.db2.gz UFFBUDARWVHBKY-UHFFFAOYSA-N -1 3 392.489 0.505 20 0 GCADHM O=S(=O)(N1CCN(c2cnccc2-c2nn[n-]n2)CC1)N1CCCCCC1 ZINC000826487606 608770593 /nfs/dbraw/zinc/77/05/93/608770593.db2.gz UFFBUDARWVHBKY-UHFFFAOYSA-N -1 3 392.489 0.505 20 0 GCADHM CN(CCO)S(=O)(=O)c1ccccc1CNc1cnccc1-c1nnn[n-]1 ZINC000825941207 608784677 /nfs/dbraw/zinc/78/46/77/608784677.db2.gz DUZKILAQEVNRNQ-UHFFFAOYSA-N -1 3 389.441 0.487 20 0 GCADHM CN(CCO)S(=O)(=O)c1ccccc1CNc1cnccc1-c1nn[n-]n1 ZINC000825941207 608784678 /nfs/dbraw/zinc/78/46/78/608784678.db2.gz DUZKILAQEVNRNQ-UHFFFAOYSA-N -1 3 389.441 0.487 20 0 GCADHM O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2cnccc2-c2nnn[n-]2)CCO1 ZINC000826483270 608795194 /nfs/dbraw/zinc/79/51/94/608795194.db2.gz HODNQUDECBKNAE-GFCCVEGCSA-N -1 3 391.391 0.763 20 0 GCADHM O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2cnccc2-c2nn[n-]n2)CCO1 ZINC000826483270 608795195 /nfs/dbraw/zinc/79/51/95/608795195.db2.gz HODNQUDECBKNAE-GFCCVEGCSA-N -1 3 391.391 0.763 20 0 GCADHM NC(=O)[C@H]1COCCN1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826390802 608807527 /nfs/dbraw/zinc/80/75/27/608807527.db2.gz MKLQCSVZXNTOOJ-GFCCVEGCSA-N -1 3 379.808 0.035 20 0 GCADHM NC(=O)[C@H]1COCCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826390802 608807529 /nfs/dbraw/zinc/80/75/29/608807529.db2.gz MKLQCSVZXNTOOJ-GFCCVEGCSA-N -1 3 379.808 0.035 20 0 GCADHM C[C@H](O)c1cn(CC(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)nn1 ZINC000824706882 608811413 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O=C(CN1C(=O)c2cccnc2S1(=O)=O)Nc1sccc1-c1nn[n-]n1 ZINC000826409709 608872331 /nfs/dbraw/zinc/87/23/31/608872331.db2.gz LSJODDPZNCVVPG-UHFFFAOYSA-N -1 3 391.394 0.106 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000825476208 608882630 /nfs/dbraw/zinc/88/26/30/608882630.db2.gz CCHHJYKDTPXQDD-JTQLQIEISA-N -1 3 381.487 0.577 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000825476208 608882631 /nfs/dbraw/zinc/88/26/31/608882631.db2.gz CCHHJYKDTPXQDD-JTQLQIEISA-N -1 3 381.487 0.577 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)n1cccn1 ZINC000824039997 609133584 /nfs/dbraw/zinc/13/35/84/609133584.db2.gz KJFIEZMFICKZJU-SWLSCSKDSA-N -1 3 380.412 0.936 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)n1cccn1 ZINC000824039997 609133587 /nfs/dbraw/zinc/13/35/87/609133587.db2.gz KJFIEZMFICKZJU-SWLSCSKDSA-N -1 3 380.412 0.936 20 0 GCADHM CCN1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000825445307 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3 380.412 0.683 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826429874 609136722 /nfs/dbraw/zinc/13/67/22/609136722.db2.gz OVOUDLVCFWTGML-KLHDSHLOSA-N -1 3 382.424 0.903 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826429874 609136724 /nfs/dbraw/zinc/13/67/24/609136724.db2.gz OVOUDLVCFWTGML-KLHDSHLOSA-N -1 3 382.424 0.903 20 0 GCADHM Cc1nnc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000826335207 609137841 /nfs/dbraw/zinc/13/78/41/609137841.db2.gz CVWWFWRNJPGPKM-UHFFFAOYSA-N -1 3 378.805 0.935 20 0 GCADHM Cc1nnc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000826335207 609137844 /nfs/dbraw/zinc/13/78/44/609137844.db2.gz CVWWFWRNJPGPKM-UHFFFAOYSA-N -1 3 378.805 0.935 20 0 GCADHM CCCCCN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)CC(N)=O ZINC000825276171 609143185 /nfs/dbraw/zinc/14/31/85/609143185.db2.gz SDLIKEFQFGBACD-UHFFFAOYSA-N -1 3 380.474 0.618 20 0 GCADHM CCCCCN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)CC(N)=O 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382.428 0.694 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)CN2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258328 609148155 /nfs/dbraw/zinc/14/81/55/609148155.db2.gz HLPKABVZMDPSSQ-CYBMUJFWSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)CN2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258328 609148157 /nfs/dbraw/zinc/14/81/57/609148157.db2.gz HLPKABVZMDPSSQ-CYBMUJFWSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1cc(C(=O)NC[C@@H](C)N2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259337 609148278 /nfs/dbraw/zinc/14/82/78/609148278.db2.gz OUVVOCRFEQNXRL-CQSZACIVSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1cc(C(=O)NC[C@@H](C)N2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259337 609148279 /nfs/dbraw/zinc/14/82/79/609148279.db2.gz OUVVOCRFEQNXRL-CQSZACIVSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1cc(C(=O)NCCN2CCOC[C@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259048 609153621 /nfs/dbraw/zinc/15/36/21/609153621.db2.gz FYULOHREMGEOSI-CQSZACIVSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1cc(C(=O)NCCN2CCOC[C@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259048 609153622 /nfs/dbraw/zinc/15/36/22/609153622.db2.gz FYULOHREMGEOSI-CQSZACIVSA-N -1 3 396.455 0.811 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826061108 609156957 /nfs/dbraw/zinc/15/69/57/609156957.db2.gz ZSPOUFZJONGIDC-HNNXBMFYSA-N -1 3 380.412 0.711 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826061108 609156958 /nfs/dbraw/zinc/15/69/58/609156958.db2.gz ZSPOUFZJONGIDC-HNNXBMFYSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1cc(C(=O)NC[C@@H](O)C2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259394 609157115 /nfs/dbraw/zinc/15/71/15/609157115.db2.gz QMKFOHRDTXNDPM-QGZVFWFLSA-N -1 3 397.439 0.878 20 0 GCADHM Cc1cc(C(=O)NC[C@@H](O)C2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259394 609157116 /nfs/dbraw/zinc/15/71/16/609157116.db2.gz QMKFOHRDTXNDPM-QGZVFWFLSA-N -1 3 397.439 0.878 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C[C@H](C)O1 ZINC000736285142 609158667 /nfs/dbraw/zinc/15/86/67/609158667.db2.gz ILYBFDNIYZTOEF-FTLABTOESA-N -1 3 385.428 0.700 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C[C@H](C)O1 ZINC000736285142 609158669 /nfs/dbraw/zinc/15/86/69/609158669.db2.gz ILYBFDNIYZTOEF-FTLABTOESA-N -1 3 385.428 0.700 20 0 GCADHM COC(=O)[C@H](OC(=O)CN1CCSC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117469 609161717 /nfs/dbraw/zinc/16/17/17/609161717.db2.gz MFBCRURYSZCIGT-GFCCVEGCSA-N -1 3 377.382 0.793 20 0 GCADHM COC(=O)[C@H](OC(=O)CN1CCSC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117469 609161718 /nfs/dbraw/zinc/16/17/18/609161718.db2.gz MFBCRURYSZCIGT-GFCCVEGCSA-N -1 3 377.382 0.793 20 0 GCADHM CCNC(=O)C1CN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC000825465354 609161785 /nfs/dbraw/zinc/16/17/85/609161785.db2.gz KOWLKEVHZYUSHY-UHFFFAOYSA-N -1 3 380.412 0.569 20 0 GCADHM CCNC(=O)C1CN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000825465354 609161787 /nfs/dbraw/zinc/16/17/87/609161787.db2.gz KOWLKEVHZYUSHY-UHFFFAOYSA-N -1 3 380.412 0.569 20 0 GCADHM COCC1(O)CCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC000826153293 609164831 /nfs/dbraw/zinc/16/48/31/609164831.db2.gz IJHLCZCNEXGBDA-UHFFFAOYSA-N -1 3 397.439 0.974 20 0 GCADHM COCC1(O)CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC000826153293 609164832 /nfs/dbraw/zinc/16/48/32/609164832.db2.gz IJHLCZCNEXGBDA-UHFFFAOYSA-N -1 3 397.439 0.974 20 0 GCADHM COCCCN(CCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000826156220 609166316 /nfs/dbraw/zinc/16/63/16/609166316.db2.gz UJQCPESKOGQNIY-OAHLLOKOSA-N -1 3 395.485 0.771 20 0 GCADHM COCCCN(CCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000826156219 609166407 /nfs/dbraw/zinc/16/64/07/609166407.db2.gz UJQCPESKOGQNIY-HNNXBMFYSA-N -1 3 395.485 0.771 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NN1CCc2ccccc2C1=O ZINC000826411567 609166856 /nfs/dbraw/zinc/16/68/56/609166856.db2.gz DSHXJQLCIPJZFL-UHFFFAOYSA-N -1 3 391.391 0.326 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NN1CCc2ccccc2C1=O ZINC000826411567 609166858 /nfs/dbraw/zinc/16/68/58/609166858.db2.gz DSHXJQLCIPJZFL-UHFFFAOYSA-N -1 3 391.391 0.326 20 0 GCADHM Cc1cc(C(=O)N[C@H](CO)c2cnn(C)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258324 609167948 /nfs/dbraw/zinc/16/79/48/609167948.db2.gz HFOZPHGYRVJPAZ-MRXNPFEDSA-N -1 3 393.411 0.558 20 0 GCADHM Cc1cc(C(=O)N[C@H](CO)c2cnn(C)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258324 609167949 /nfs/dbraw/zinc/16/79/49/609167949.db2.gz HFOZPHGYRVJPAZ-MRXNPFEDSA-N -1 3 393.411 0.558 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2ncccn2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559197 609168711 /nfs/dbraw/zinc/16/87/11/609168711.db2.gz CYAQCNSVOZEMLC-UHFFFAOYSA-N -1 3 386.372 0.534 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2ncccn2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559197 609168712 /nfs/dbraw/zinc/16/87/12/609168712.db2.gz CYAQCNSVOZEMLC-UHFFFAOYSA-N -1 3 386.372 0.534 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@@H]2CCOC2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559440 609168950 /nfs/dbraw/zinc/16/89/50/609168950.db2.gz FPQMBRUWHHQURP-NSHDSACASA-N -1 3 392.416 0.856 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@@H]2CCOC2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559440 609168952 /nfs/dbraw/zinc/16/89/52/609168952.db2.gz FPQMBRUWHHQURP-NSHDSACASA-N -1 3 392.416 0.856 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CC[C@H](C)O2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559915 609169088 /nfs/dbraw/zinc/16/90/88/609169088.db2.gz LNVOYIFZTZPHHE-JQWIXIFHSA-N -1 3 392.416 0.997 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CC[C@H](C)O2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559915 609169089 /nfs/dbraw/zinc/16/90/89/609169089.db2.gz LNVOYIFZTZPHHE-JQWIXIFHSA-N -1 3 392.416 0.997 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CC[C@H](C)O2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559911 609169443 /nfs/dbraw/zinc/16/94/43/609169443.db2.gz LNVOYIFZTZPHHE-CMPLNLGQSA-N -1 3 392.416 0.997 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CC[C@H](C)O2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559911 609169445 /nfs/dbraw/zinc/16/94/45/609169445.db2.gz LNVOYIFZTZPHHE-CMPLNLGQSA-N -1 3 392.416 0.997 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2cocn2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560399 609171327 /nfs/dbraw/zinc/17/13/27/609171327.db2.gz RIZXCOWYZOPCAN-UHFFFAOYSA-N -1 3 375.345 0.732 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2cocn2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560399 609171329 /nfs/dbraw/zinc/17/13/29/609171329.db2.gz RIZXCOWYZOPCAN-UHFFFAOYSA-N -1 3 375.345 0.732 20 0 GCADHM CCOC(=O)c1c(NC(=O)C2(CC)COC2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559582 609171391 /nfs/dbraw/zinc/17/13/91/609171391.db2.gz IFRYQCRBJRRAEM-UHFFFAOYSA-N -1 3 392.416 0.856 20 0 GCADHM CCOC(=O)c1c(NC(=O)C2(CC)COC2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559582 609171393 /nfs/dbraw/zinc/17/13/93/609171393.db2.gz IFRYQCRBJRRAEM-UHFFFAOYSA-N -1 3 392.416 0.856 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCO[C@H]2C)c(-c2nnn[n-]2)cn1CCOC ZINC000825560706 609171830 /nfs/dbraw/zinc/17/18/30/609171830.db2.gz VVMAADFEHQYCKC-QWRGUYRKSA-N -1 3 392.416 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCO[C@H]2C)c(-c2nn[n-]n2)cn1CCOC ZINC000825560706 609171832 /nfs/dbraw/zinc/17/18/32/609171832.db2.gz VVMAADFEHQYCKC-QWRGUYRKSA-N -1 3 392.416 0.855 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)NC1CCN(C(C)=O)CC1 ZINC000825480574 609177427 /nfs/dbraw/zinc/17/74/27/609177427.db2.gz BUUDKBMVMUEHGO-UHFFFAOYSA-N -1 3 386.460 0.838 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)NCCCN1CCCC1=O ZINC000825481453 609178335 /nfs/dbraw/zinc/17/83/35/609178335.db2.gz ZRLJDVSPEANDKT-UHFFFAOYSA-N -1 3 386.460 0.839 20 0 GCADHM CCNC(=O)CCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825471061 609178354 /nfs/dbraw/zinc/17/83/54/609178354.db2.gz NGNMVXVVMNHQDX-HNNXBMFYSA-N -1 3 399.455 0.785 20 0 GCADHM CCNC(=O)CCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825471061 609178355 /nfs/dbraw/zinc/17/83/55/609178355.db2.gz NGNMVXVVMNHQDX-HNNXBMFYSA-N -1 3 399.455 0.785 20 0 GCADHM Cc1nnc(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)s1 ZINC000826335405 609178480 /nfs/dbraw/zinc/17/84/80/609178480.db2.gz LNTMRVASVUGXME-UHFFFAOYSA-N -1 3 382.413 0.725 20 0 GCADHM Cc1nnc(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)s1 ZINC000826335405 609178481 /nfs/dbraw/zinc/17/84/81/609178481.db2.gz LNTMRVASVUGXME-UHFFFAOYSA-N -1 3 382.413 0.725 20 0 GCADHM CCNC(=O)CCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825471063 609178487 /nfs/dbraw/zinc/17/84/87/609178487.db2.gz NGNMVXVVMNHQDX-OAHLLOKOSA-N -1 3 399.455 0.785 20 0 GCADHM CCNC(=O)CCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825471063 609178488 /nfs/dbraw/zinc/17/84/88/609178488.db2.gz NGNMVXVVMNHQDX-OAHLLOKOSA-N -1 3 399.455 0.785 20 0 GCADHM CN(CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(=O)C1CC1 ZINC000825892042 609178743 /nfs/dbraw/zinc/17/87/43/609178743.db2.gz CVQATYWUGHFMHM-HNNXBMFYSA-N -1 3 397.439 0.347 20 0 GCADHM CN(CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(=O)C1CC1 ZINC000825892042 609178744 /nfs/dbraw/zinc/17/87/44/609178744.db2.gz CVQATYWUGHFMHM-HNNXBMFYSA-N -1 3 397.439 0.347 20 0 GCADHM NC(=O)c1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c[nH]1 ZINC000826392692 609179072 /nfs/dbraw/zinc/17/90/72/609179072.db2.gz JAFDNIXFXBTTKZ-ZDUSSCGKSA-N -1 3 394.395 0.219 20 0 GCADHM NC(=O)c1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c[nH]1 ZINC000826392692 609179073 /nfs/dbraw/zinc/17/90/73/609179073.db2.gz JAFDNIXFXBTTKZ-ZDUSSCGKSA-N -1 3 394.395 0.219 20 0 GCADHM C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H](C)CO ZINC000824433506 609180329 /nfs/dbraw/zinc/18/03/29/609180329.db2.gz GEFMATBEENZTCS-JMSVASOKSA-N -1 3 387.444 0.678 20 0 GCADHM C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H](C)CO ZINC000824433506 609180330 /nfs/dbraw/zinc/18/03/30/609180330.db2.gz GEFMATBEENZTCS-JMSVASOKSA-N -1 3 387.444 0.678 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826438741 609181098 /nfs/dbraw/zinc/18/10/98/609181098.db2.gz OZSMNNVUFVHEMH-GFCCVEGCSA-N -1 3 385.428 0.556 20 0 GCADHM O=C(N[C@H]1CC[C@H](O)CC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826430434 609182251 /nfs/dbraw/zinc/18/22/51/609182251.db2.gz BYCDJYISHWTVQP-FVQBIDKESA-N -1 3 399.455 0.965 20 0 GCADHM O=C(N[C@H]1CC[C@H](O)CC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826430434 609182253 /nfs/dbraw/zinc/18/22/53/609182253.db2.gz BYCDJYISHWTVQP-FVQBIDKESA-N -1 3 399.455 0.965 20 0 GCADHM CNC(=O)c1ccc(CN(C)C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826068661 609187926 /nfs/dbraw/zinc/18/79/26/609187926.db2.gz VLZSVEKJSAPZSH-MRXNPFEDSA-N -1 3 380.408 0.918 20 0 GCADHM CNC(=O)c1ccc(CN(C)C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826068661 609187928 /nfs/dbraw/zinc/18/79/28/609187928.db2.gz VLZSVEKJSAPZSH-MRXNPFEDSA-N -1 3 380.408 0.918 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826392863 609188333 /nfs/dbraw/zinc/18/83/33/609188333.db2.gz PWDFULAGSHBRFY-JKSUJKDBSA-N -1 3 378.392 0.339 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826392863 609188334 /nfs/dbraw/zinc/18/83/34/609188334.db2.gz PWDFULAGSHBRFY-JKSUJKDBSA-N -1 3 378.392 0.339 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NC[C@H]1COC2(CCOCC2)O1 ZINC000826441796 609188836 /nfs/dbraw/zinc/18/88/36/609188836.db2.gz VJOJTENHPIPVHO-ZDUSSCGKSA-N -1 3 392.391 0.727 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NC[C@H]1COC2(CCOCC2)O1 ZINC000826441796 609188838 /nfs/dbraw/zinc/18/88/38/609188838.db2.gz VJOJTENHPIPVHO-ZDUSSCGKSA-N -1 3 392.391 0.727 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824108500 609189115 /nfs/dbraw/zinc/18/91/15/609189115.db2.gz GZRLKIMJNJLEAL-CQSZACIVSA-N -1 3 388.428 0.979 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824108500 609189116 /nfs/dbraw/zinc/18/91/16/609189116.db2.gz GZRLKIMJNJLEAL-CQSZACIVSA-N -1 3 388.428 0.979 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000826469549 609191818 /nfs/dbraw/zinc/19/18/18/609191818.db2.gz KJUTYRAKXUVJOU-UHFFFAOYSA-N -1 3 395.423 0.924 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000826469549 609191819 /nfs/dbraw/zinc/19/18/19/609191819.db2.gz KJUTYRAKXUVJOU-UHFFFAOYSA-N -1 3 395.423 0.924 20 0 GCADHM CS(=O)(=O)Nc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826224056 609192024 /nfs/dbraw/zinc/19/20/24/609192024.db2.gz MMKANDLKDMJGCB-AWEZNQCLSA-N -1 3 388.409 0.910 20 0 GCADHM CS(=O)(=O)Nc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826224056 609192025 /nfs/dbraw/zinc/19/20/25/609192025.db2.gz MMKANDLKDMJGCB-AWEZNQCLSA-N -1 3 388.409 0.910 20 0 GCADHM CS(=O)(=O)Nc1cccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826224057 609192045 /nfs/dbraw/zinc/19/20/45/609192045.db2.gz MMKANDLKDMJGCB-CQSZACIVSA-N -1 3 388.409 0.910 20 0 GCADHM CS(=O)(=O)Nc1cccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826224057 609192046 /nfs/dbraw/zinc/19/20/46/609192046.db2.gz MMKANDLKDMJGCB-CQSZACIVSA-N -1 3 388.409 0.910 20 0 GCADHM NC(=O)CCN(Cc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826391588 609192338 /nfs/dbraw/zinc/19/23/38/609192338.db2.gz SBAKWXGZVUEUBV-KRWDZBQOSA-N -1 3 380.408 0.804 20 0 GCADHM NC(=O)CCN(Cc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826391588 609192340 /nfs/dbraw/zinc/19/23/40/609192340.db2.gz SBAKWXGZVUEUBV-KRWDZBQOSA-N -1 3 380.408 0.804 20 0 GCADHM O=C(c1ccccn1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474497 609194103 /nfs/dbraw/zinc/19/41/03/609194103.db2.gz SHKAKFXLINJJGK-INIZCTEOSA-N -1 3 393.407 0.280 20 0 GCADHM O=C(c1ccccn1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474497 609194104 /nfs/dbraw/zinc/19/41/04/609194104.db2.gz SHKAKFXLINJJGK-INIZCTEOSA-N -1 3 393.407 0.280 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)NCc1ccccc1 ZINC000826411481 609194282 /nfs/dbraw/zinc/19/42/82/609194282.db2.gz ZZCJHUQTGWYWNG-UHFFFAOYSA-N -1 3 394.439 0.269 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)NCc1ccccc1 ZINC000826411481 609194284 /nfs/dbraw/zinc/19/42/84/609194284.db2.gz ZZCJHUQTGWYWNG-UHFFFAOYSA-N -1 3 394.439 0.269 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000826469522 609194302 /nfs/dbraw/zinc/19/43/02/609194302.db2.gz JNRACCKGGFIPPD-UHFFFAOYSA-N -1 3 395.379 0.522 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000826469522 609194304 /nfs/dbraw/zinc/19/43/04/609194304.db2.gz JNRACCKGGFIPPD-UHFFFAOYSA-N -1 3 395.379 0.522 20 0 GCADHM COCC(=O)Nc1cccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826147710 609194849 /nfs/dbraw/zinc/19/48/49/609194849.db2.gz ITNAAPJDLXBCMM-QGZVFWFLSA-N -1 3 396.407 0.801 20 0 GCADHM COCC(=O)Nc1cccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826147710 609194851 /nfs/dbraw/zinc/19/48/51/609194851.db2.gz ITNAAPJDLXBCMM-QGZVFWFLSA-N -1 3 396.407 0.801 20 0 GCADHM O=C(NCc1ccnc(N2CCOCC2)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443594 609195929 /nfs/dbraw/zinc/19/59/29/609195929.db2.gz WMJBTUVXWSFUJK-QGZVFWFLSA-N -1 3 395.423 0.448 20 0 GCADHM O=C(NCc1ccnc(N2CCOCC2)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443594 609195930 /nfs/dbraw/zinc/19/59/30/609195930.db2.gz WMJBTUVXWSFUJK-QGZVFWFLSA-N -1 3 395.423 0.448 20 0 GCADHM CN(C)C(=O)c1cccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825849666 609196656 /nfs/dbraw/zinc/19/66/56/609196656.db2.gz LKYOLBHTBFEGSD-MRXNPFEDSA-N -1 3 380.408 0.918 20 0 GCADHM CN(C)C(=O)c1cccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825849666 609196658 /nfs/dbraw/zinc/19/66/58/609196658.db2.gz LKYOLBHTBFEGSD-MRXNPFEDSA-N -1 3 380.408 0.918 20 0 GCADHM Cc1nnnn1-c1cccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826338428 609198072 /nfs/dbraw/zinc/19/80/72/609198072.db2.gz VJGHXZIOAOITHS-HNNXBMFYSA-N -1 3 377.368 0.823 20 0 GCADHM Cc1nnnn1-c1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826338428 609198073 /nfs/dbraw/zinc/19/80/73/609198073.db2.gz VJGHXZIOAOITHS-HNNXBMFYSA-N -1 3 377.368 0.823 20 0 GCADHM COc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1OCC(N)=O ZINC000826209838 609199339 /nfs/dbraw/zinc/19/93/39/609199339.db2.gz STEKBCVCZLZBGR-INIZCTEOSA-N -1 3 398.379 0.412 20 0 GCADHM COc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1OCC(N)=O ZINC000826209838 609199340 /nfs/dbraw/zinc/19/93/40/609199340.db2.gz STEKBCVCZLZBGR-INIZCTEOSA-N -1 3 398.379 0.412 20 0 GCADHM CCNC(=O)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825476475 609199399 /nfs/dbraw/zinc/19/93/99/609199399.db2.gz LDUOMMKJOXHUNF-INIZCTEOSA-N -1 3 380.408 0.966 20 0 GCADHM CCNC(=O)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825476475 609199400 /nfs/dbraw/zinc/19/94/00/609199400.db2.gz LDUOMMKJOXHUNF-INIZCTEOSA-N -1 3 380.408 0.966 20 0 GCADHM O=C(NCCOc1ccc2c(c1)OCO2)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826438822 609201958 /nfs/dbraw/zinc/20/19/58/609201958.db2.gz RUQQQFQASTXVHM-INIZCTEOSA-N -1 3 383.364 0.824 20 0 GCADHM O=C(NCCOc1ccc2c(c1)OCO2)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826438822 609201960 /nfs/dbraw/zinc/20/19/60/609201960.db2.gz RUQQQFQASTXVHM-INIZCTEOSA-N -1 3 383.364 0.824 20 0 GCADHM CCCN(CCO)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825313515 609202361 /nfs/dbraw/zinc/20/23/61/609202361.db2.gz IGIUTFURJUDKMP-HNNXBMFYSA-N -1 3 387.444 0.776 20 0 GCADHM CCCN(CCO)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825313515 609202362 /nfs/dbraw/zinc/20/23/62/609202362.db2.gz IGIUTFURJUDKMP-HNNXBMFYSA-N -1 3 387.444 0.776 20 0 GCADHM C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000824968522 609202670 /nfs/dbraw/zinc/20/26/70/609202670.db2.gz QEYQSRGKPKREEG-WFASDCNBSA-N -1 3 385.428 0.792 20 0 GCADHM C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000824968522 609202673 /nfs/dbraw/zinc/20/26/73/609202673.db2.gz QEYQSRGKPKREEG-WFASDCNBSA-N -1 3 385.428 0.792 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@H](CO)C1 ZINC000826431025 609202923 /nfs/dbraw/zinc/20/29/23/609202923.db2.gz PWXRKWTUHDCLIP-XJKSGUPXSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@H](CO)C1 ZINC000826431025 609202924 /nfs/dbraw/zinc/20/29/24/609202924.db2.gz PWXRKWTUHDCLIP-XJKSGUPXSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@H](O)C1 ZINC000826430841 609203154 /nfs/dbraw/zinc/20/31/54/609203154.db2.gz LKXPWRJWHDFONX-GJZGRUSLSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@H](O)C1 ZINC000826430841 609203156 /nfs/dbraw/zinc/20/31/56/609203156.db2.gz LKXPWRJWHDFONX-GJZGRUSLSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CC[C@H](CCO)C1 ZINC000826430622 609203266 /nfs/dbraw/zinc/20/32/66/609203266.db2.gz HEOLDTNAQMHRQI-CZUORRHYSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CC[C@H](CCO)C1 ZINC000826430622 609203268 /nfs/dbraw/zinc/20/32/68/609203268.db2.gz HEOLDTNAQMHRQI-CZUORRHYSA-N -1 3 399.455 0.776 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000826478645 609203518 /nfs/dbraw/zinc/20/35/18/609203518.db2.gz HFJIQACPXOJNIC-WMZOPIPTSA-N -1 3 392.419 0.990 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000826478645 609203519 /nfs/dbraw/zinc/20/35/19/609203519.db2.gz HFJIQACPXOJNIC-WMZOPIPTSA-N -1 3 392.419 0.990 20 0 GCADHM CCN(CCCO)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825419244 609204188 /nfs/dbraw/zinc/20/41/88/609204188.db2.gz MGJBHLAHRRIRII-OAHLLOKOSA-N -1 3 387.444 0.776 20 0 GCADHM CCN(CCCO)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825419244 609204190 /nfs/dbraw/zinc/20/41/90/609204190.db2.gz MGJBHLAHRRIRII-OAHLLOKOSA-N -1 3 387.444 0.776 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCCOCC1 ZINC000826430751 609205169 /nfs/dbraw/zinc/20/51/69/609205169.db2.gz JXBDKGHZXRUSRZ-HNNXBMFYSA-N -1 3 385.428 0.794 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCCOCC1 ZINC000826430751 609205171 /nfs/dbraw/zinc/20/51/71/609205171.db2.gz JXBDKGHZXRUSRZ-HNNXBMFYSA-N -1 3 385.428 0.794 20 0 GCADHM CN(Cc1cc[nH]n1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825953289 609206276 /nfs/dbraw/zinc/20/62/76/609206276.db2.gz CYDYJPBQPXDFBP-OAHLLOKOSA-N -1 3 395.427 0.927 20 0 GCADHM CO[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826166744 609206308 /nfs/dbraw/zinc/20/63/08/609206308.db2.gz YWJYEBCXBHWMTM-HUUCEWRRSA-N -1 3 385.428 0.792 20 0 GCADHM CO[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826166744 609206310 /nfs/dbraw/zinc/20/63/10/609206310.db2.gz YWJYEBCXBHWMTM-HUUCEWRRSA-N -1 3 385.428 0.792 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N[C@@H]1CCCC[C@H]1O ZINC000826430894 609206501 /nfs/dbraw/zinc/20/65/01/609206501.db2.gz MLJVEOWNTXHCAS-BZUAXINKSA-N -1 3 399.455 0.965 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N[C@@H]1CCCC[C@H]1O ZINC000826430894 609206502 /nfs/dbraw/zinc/20/65/02/609206502.db2.gz MLJVEOWNTXHCAS-BZUAXINKSA-N -1 3 399.455 0.965 20 0 GCADHM C[C@@]1(c2ccc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)NC(=O)NC1=O ZINC000824843343 609206665 /nfs/dbraw/zinc/20/66/65/609206665.db2.gz CKODIZRLWIWWEQ-KRWDZBQOSA-N -1 3 380.368 0.179 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N(CCO)C1CC1 ZINC000826477289 609206652 /nfs/dbraw/zinc/20/66/52/609206652.db2.gz ZHAVYRHRQQEXHO-HNNXBMFYSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N(CCO)C1CC1 ZINC000826477289 609206653 /nfs/dbraw/zinc/20/66/53/609206653.db2.gz ZHAVYRHRQQEXHO-HNNXBMFYSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(Cn1cc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1)NC1CC1 ZINC000826424477 609206762 /nfs/dbraw/zinc/20/67/62/609206762.db2.gz NRVRZLNSINIAQA-OAHLLOKOSA-N -1 3 382.384 0.014 20 0 GCADHM O=C(Cn1cc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1)NC1CC1 ZINC000826424477 609206764 /nfs/dbraw/zinc/20/67/64/609206764.db2.gz NRVRZLNSINIAQA-OAHLLOKOSA-N -1 3 382.384 0.014 20 0 GCADHM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826090930 609208697 /nfs/dbraw/zinc/20/86/97/609208697.db2.gz QWRMACZAGONHBG-SECBINFHSA-N -1 3 375.414 0.594 20 0 GCADHM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826090930 609208698 /nfs/dbraw/zinc/20/86/98/609208698.db2.gz QWRMACZAGONHBG-SECBINFHSA-N -1 3 375.414 0.594 20 0 GCADHM CCCCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000825282701 609208984 /nfs/dbraw/zinc/20/89/84/609208984.db2.gz WYHCPKDZYIJHHW-GJZGRUSLSA-N -1 3 393.469 0.716 20 0 GCADHM CCCCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000825282701 609208985 /nfs/dbraw/zinc/20/89/85/609208985.db2.gz WYHCPKDZYIJHHW-GJZGRUSLSA-N -1 3 393.469 0.716 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826281870 609209729 /nfs/dbraw/zinc/20/97/29/609209729.db2.gz NGMBNWBMUFUGQA-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826281870 609209730 /nfs/dbraw/zinc/20/97/30/609209730.db2.gz NGMBNWBMUFUGQA-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM CC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000825134080 609209760 /nfs/dbraw/zinc/20/97/60/609209760.db2.gz RPMBCSPDYXMNMJ-LBPRGKRZSA-N -1 3 375.414 0.723 20 0 GCADHM CC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000825134080 609209762 /nfs/dbraw/zinc/20/97/62/609209762.db2.gz RPMBCSPDYXMNMJ-LBPRGKRZSA-N -1 3 375.414 0.723 20 0 GCADHM NC(=O)[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)cc1 ZINC000826389317 609212708 /nfs/dbraw/zinc/21/27/08/609212708.db2.gz VIRYTGRKSJXVFZ-HOCLYGCPSA-N -1 3 398.398 0.500 20 0 GCADHM NC(=O)[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)cc1 ZINC000826389317 609212710 /nfs/dbraw/zinc/21/27/10/609212710.db2.gz VIRYTGRKSJXVFZ-HOCLYGCPSA-N -1 3 398.398 0.500 20 0 GCADHM O=C(NCCS(=O)(=O)c1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439493 609213181 /nfs/dbraw/zinc/21/31/81/609213181.db2.gz XCVZFZSPZCQMPO-HNNXBMFYSA-N -1 3 387.421 0.490 20 0 GCADHM O=C(NCCS(=O)(=O)c1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439493 609213183 /nfs/dbraw/zinc/21/31/83/609213183.db2.gz XCVZFZSPZCQMPO-HNNXBMFYSA-N -1 3 387.421 0.490 20 0 GCADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)[C@H]1CC(=O)NC1=O ZINC000825380882 609215808 /nfs/dbraw/zinc/21/58/08/609215808.db2.gz WXVBABJQQDEMDP-AWEZNQCLSA-N -1 3 394.395 0.238 20 0 GCADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)[C@H]1CC(=O)NC1=O ZINC000825380882 609215809 /nfs/dbraw/zinc/21/58/09/609215809.db2.gz WXVBABJQQDEMDP-AWEZNQCLSA-N -1 3 394.395 0.238 20 0 GCADHM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824285074 609215916 /nfs/dbraw/zinc/21/59/16/609215916.db2.gz WFSKYCUOWNBCIM-UONOGXRCSA-N -1 3 390.469 0.668 20 0 GCADHM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824285074 609215917 /nfs/dbraw/zinc/21/59/17/609215917.db2.gz WFSKYCUOWNBCIM-UONOGXRCSA-N -1 3 390.469 0.668 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825068438 609216097 /nfs/dbraw/zinc/21/60/97/609216097.db2.gz RQRWLCCSXYFGEO-LEWSCRJBSA-N -1 3 390.469 0.716 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825068438 609216099 /nfs/dbraw/zinc/21/60/99/609216099.db2.gz RQRWLCCSXYFGEO-LEWSCRJBSA-N -1 3 390.469 0.716 20 0 GCADHM CN(C(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825812609 609216910 /nfs/dbraw/zinc/21/69/10/609216910.db2.gz OOORQNKEAODHBZ-KGLIPLIRSA-N -1 3 388.453 0.422 20 0 GCADHM CN(C(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825812609 609216912 /nfs/dbraw/zinc/21/69/12/609216912.db2.gz OOORQNKEAODHBZ-KGLIPLIRSA-N -1 3 388.453 0.422 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cn2)C[C@H](C)O1 ZINC000824967211 609217473 /nfs/dbraw/zinc/21/74/73/609217473.db2.gz HYRQPQDZJPNSAS-QWRGUYRKSA-N -1 3 399.415 0.279 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cn2)C[C@H](C)O1 ZINC000824967211 609217474 /nfs/dbraw/zinc/21/74/74/609217474.db2.gz HYRQPQDZJPNSAS-QWRGUYRKSA-N -1 3 399.415 0.279 20 0 GCADHM CCCCNC(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825285050 609217632 /nfs/dbraw/zinc/21/76/32/609217632.db2.gz HRSYVMHTAZPQDT-UONOGXRCSA-N -1 3 390.469 0.718 20 0 GCADHM CCCCNC(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825285050 609217633 /nfs/dbraw/zinc/21/76/33/609217633.db2.gz HRSYVMHTAZPQDT-UONOGXRCSA-N -1 3 390.469 0.718 20 0 GCADHM CCNC(=O)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825464361 609218032 /nfs/dbraw/zinc/21/80/32/609218032.db2.gz CCHLDYAZCAJBTE-GFCCVEGCSA-N -1 3 389.441 0.233 20 0 GCADHM CCNC(=O)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825464361 609218033 /nfs/dbraw/zinc/21/80/33/609218033.db2.gz CCHLDYAZCAJBTE-GFCCVEGCSA-N -1 3 389.441 0.233 20 0 GCADHM O=C(NCC1CC1)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826434730 609218560 /nfs/dbraw/zinc/21/85/60/609218560.db2.gz VWHBMXXZJFSHTC-KGLIPLIRSA-N -1 3 388.453 0.328 20 0 GCADHM O=C(NCC1CC1)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826434730 609218562 /nfs/dbraw/zinc/21/85/62/609218562.db2.gz VWHBMXXZJFSHTC-KGLIPLIRSA-N -1 3 388.453 0.328 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391221 609218804 /nfs/dbraw/zinc/21/88/04/609218804.db2.gz WWQLUOBDQLAKJD-OLZOCXBDSA-N -1 3 376.442 0.280 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391221 609218805 /nfs/dbraw/zinc/21/88/05/609218805.db2.gz WWQLUOBDQLAKJD-OLZOCXBDSA-N -1 3 376.442 0.280 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000826482970 609219038 /nfs/dbraw/zinc/21/90/38/609219038.db2.gz WKGYSWWTBNULTM-JKSUJKDBSA-N -1 3 378.392 0.600 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000826482970 609219040 /nfs/dbraw/zinc/21/90/40/609219040.db2.gz WKGYSWWTBNULTM-JKSUJKDBSA-N -1 3 378.392 0.600 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825946114 609220847 /nfs/dbraw/zinc/22/08/47/609220847.db2.gz JOQWUMZWARWPIP-KRWDZBQOSA-N -1 3 395.423 0.112 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825946114 609220849 /nfs/dbraw/zinc/22/08/49/609220849.db2.gz JOQWUMZWARWPIP-KRWDZBQOSA-N -1 3 395.423 0.112 20 0 GCADHM O=C(Nc1cnn(CCN2CCOCC2)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826459740 609223275 /nfs/dbraw/zinc/22/32/75/609223275.db2.gz XQHROOOVZSUSDE-INIZCTEOSA-N -1 3 398.427 0.068 20 0 GCADHM COC(=O)[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000826102981 609223577 /nfs/dbraw/zinc/22/35/77/609223577.db2.gz BJNUGBQCAIQKRO-JKSUJKDBSA-N -1 3 397.391 0.939 20 0 GCADHM COC(=O)[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000826102981 609223578 /nfs/dbraw/zinc/22/35/78/609223578.db2.gz BJNUGBQCAIQKRO-JKSUJKDBSA-N -1 3 397.391 0.939 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000826397694 609225950 /nfs/dbraw/zinc/22/59/50/609225950.db2.gz ISGLUWLMFMAUTB-GOEBONIOSA-N -1 3 394.439 0.844 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000826397694 609225951 /nfs/dbraw/zinc/22/59/51/609225951.db2.gz ISGLUWLMFMAUTB-GOEBONIOSA-N -1 3 394.439 0.844 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000826397693 609226161 /nfs/dbraw/zinc/22/61/61/609226161.db2.gz ISGLUWLMFMAUTB-GDBMZVCRSA-N -1 3 394.439 0.844 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000826397693 609226163 /nfs/dbraw/zinc/22/61/63/609226163.db2.gz ISGLUWLMFMAUTB-GDBMZVCRSA-N -1 3 394.439 0.844 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Cc1ccccc1OC ZINC000826104550 609228349 /nfs/dbraw/zinc/22/83/49/609228349.db2.gz ZDPCEDYWLASPPK-CYBMUJFWSA-N -1 3 384.396 0.965 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Cc1ccccc1OC ZINC000826104550 609228351 /nfs/dbraw/zinc/22/83/51/609228351.db2.gz ZDPCEDYWLASPPK-CYBMUJFWSA-N -1 3 384.396 0.965 20 0 GCADHM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431250 609229188 /nfs/dbraw/zinc/22/91/88/609229188.db2.gz WJKANHFJKAKZNC-GHMZBOCLSA-N -1 3 384.318 0.180 20 0 GCADHM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431250 609229190 /nfs/dbraw/zinc/22/91/90/609229190.db2.gz WJKANHFJKAKZNC-GHMZBOCLSA-N -1 3 384.318 0.180 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000826397653 609229199 /nfs/dbraw/zinc/22/91/99/609229199.db2.gz IFBYPRNFJWIAFI-IAGOWNOFSA-N -1 3 386.456 0.613 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000826397653 609229201 /nfs/dbraw/zinc/22/92/01/609229201.db2.gz IFBYPRNFJWIAFI-IAGOWNOFSA-N -1 3 386.456 0.613 20 0 GCADHM CN(CC(=O)NCc1cccs1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825892128 609230175 /nfs/dbraw/zinc/23/01/75/609230175.db2.gz GRMJAILOSIOEBB-OAHLLOKOSA-N -1 3 386.437 0.736 20 0 GCADHM CN(CC(=O)NCc1cccs1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825892128 609230176 /nfs/dbraw/zinc/23/01/76/609230176.db2.gz GRMJAILOSIOEBB-OAHLLOKOSA-N -1 3 386.437 0.736 20 0 GCADHM O=C(N[C@H]1CS(=O)(=O)c2ccccc21)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432735 609233269 /nfs/dbraw/zinc/23/32/69/609233269.db2.gz JIAKYRQWARLKEF-DZGCQCFKSA-N -1 3 385.405 0.545 20 0 GCADHM O=C(N[C@H]1CS(=O)(=O)c2ccccc21)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432735 609233270 /nfs/dbraw/zinc/23/32/70/609233270.db2.gz JIAKYRQWARLKEF-DZGCQCFKSA-N -1 3 385.405 0.545 20 0 GCADHM Cc1ccc(N2CCC[C@@H](NC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000826289594 609233767 /nfs/dbraw/zinc/23/37/67/609233767.db2.gz GKLCTYVKNULJQP-NVXWUHKLSA-N -1 3 394.439 0.784 20 0 GCADHM Cc1ccc(N2CCC[C@@H](NC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000826289594 609233768 /nfs/dbraw/zinc/23/37/68/609233768.db2.gz GKLCTYVKNULJQP-NVXWUHKLSA-N -1 3 394.439 0.784 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000824738197 609235393 /nfs/dbraw/zinc/23/53/93/609235393.db2.gz MWZAJVGFWHJRJV-DOMZBBRYSA-N -1 3 389.412 0.672 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000824746972 609235801 /nfs/dbraw/zinc/23/58/01/609235801.db2.gz XSFOYSDHMVIVFF-QWHCGFSZSA-N -1 3 389.412 0.672 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000824746972 609235802 /nfs/dbraw/zinc/23/58/02/609235802.db2.gz XSFOYSDHMVIVFF-QWHCGFSZSA-N -1 3 389.412 0.672 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC[C@H]1COC2(CCOCC2)O1 ZINC000826420699 609236236 /nfs/dbraw/zinc/23/62/36/609236236.db2.gz YBGWVOTVBDPKAL-ZDUSSCGKSA-N -1 3 391.453 0.997 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1COC2(CCOCC2)O1 ZINC000826420699 609236238 /nfs/dbraw/zinc/23/62/38/609236238.db2.gz YBGWVOTVBDPKAL-ZDUSSCGKSA-N -1 3 391.453 0.997 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826420698 609236250 /nfs/dbraw/zinc/23/62/50/609236250.db2.gz YBGWVOTVBDPKAL-CYBMUJFWSA-N -1 3 391.453 0.997 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826420698 609236252 /nfs/dbraw/zinc/23/62/52/609236252.db2.gz YBGWVOTVBDPKAL-CYBMUJFWSA-N -1 3 391.453 0.997 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826419387 609236286 /nfs/dbraw/zinc/23/62/86/609236286.db2.gz VJQJMFKBLIONSQ-GFCCVEGCSA-N -1 3 375.385 0.284 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826419387 609236287 /nfs/dbraw/zinc/23/62/87/609236287.db2.gz VJQJMFKBLIONSQ-GFCCVEGCSA-N -1 3 375.385 0.284 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000825583326 609236506 /nfs/dbraw/zinc/23/65/06/609236506.db2.gz SYXZNQFMPWZGKF-BZUAXINKSA-N -1 3 387.440 0.679 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825583326 609236508 /nfs/dbraw/zinc/23/65/08/609236508.db2.gz SYXZNQFMPWZGKF-BZUAXINKSA-N -1 3 387.440 0.679 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000826362505 609238128 /nfs/dbraw/zinc/23/81/28/609238128.db2.gz VQUIPQILINKMPT-GOEBONIOSA-N -1 3 382.428 0.419 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000826362505 609238129 /nfs/dbraw/zinc/23/81/29/609238129.db2.gz VQUIPQILINKMPT-GOEBONIOSA-N -1 3 382.428 0.419 20 0 GCADHM COC(=O)[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826104487 609238162 /nfs/dbraw/zinc/23/81/62/609238162.db2.gz XJFLPYBEGJRABS-HOTGVXAUSA-N -1 3 381.392 0.973 20 0 GCADHM COC(=O)[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826104487 609238164 /nfs/dbraw/zinc/23/81/64/609238164.db2.gz XJFLPYBEGJRABS-HOTGVXAUSA-N -1 3 381.392 0.973 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000826362506 609238367 /nfs/dbraw/zinc/23/83/67/609238367.db2.gz VQUIPQILINKMPT-HOCLYGCPSA-N -1 3 382.428 0.419 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000826362506 609238369 /nfs/dbraw/zinc/23/83/69/609238369.db2.gz VQUIPQILINKMPT-HOCLYGCPSA-N -1 3 382.428 0.419 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)nn1 ZINC000824708599 609240371 /nfs/dbraw/zinc/24/03/71/609240371.db2.gz YYTWZOYPDKTOFD-MRVPVSSYSA-N -1 3 395.326 0.856 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)nn1 ZINC000824708599 609240372 /nfs/dbraw/zinc/24/03/72/609240372.db2.gz YYTWZOYPDKTOFD-MRVPVSSYSA-N -1 3 395.326 0.856 20 0 GCADHM C[C@@H](N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)F ZINC000824465738 609244812 /nfs/dbraw/zinc/24/48/12/609244812.db2.gz RSTNVTAMQKCTJN-MFKMUULPSA-N -1 3 384.362 0.995 20 0 GCADHM C[C@@H](N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)F ZINC000824465738 609244813 /nfs/dbraw/zinc/24/48/13/609244813.db2.gz RSTNVTAMQKCTJN-MFKMUULPSA-N -1 3 384.362 0.995 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824364404 609245541 /nfs/dbraw/zinc/24/55/41/609245541.db2.gz DZVGUQSLJXEQJN-ZFWWWQNUSA-N -1 3 382.428 0.746 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824364404 609245542 /nfs/dbraw/zinc/24/55/42/609245542.db2.gz DZVGUQSLJXEQJN-ZFWWWQNUSA-N -1 3 382.428 0.746 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2F)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431916 609246139 /nfs/dbraw/zinc/24/61/39/609246139.db2.gz NLKHNQUDWSSLTG-UKRRQHHQSA-N -1 3 383.387 0.829 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2F)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431916 609246140 /nfs/dbraw/zinc/24/61/40/609246140.db2.gz NLKHNQUDWSSLTG-UKRRQHHQSA-N -1 3 383.387 0.829 20 0 GCADHM O=C(NC[C@H](O)COc1ccc(F)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432666 609249331 /nfs/dbraw/zinc/24/93/31/609249331.db2.gz HOSMZCYVQCTCHT-GOEBONIOSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(NC[C@H](O)COc1ccc(F)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432666 609249332 /nfs/dbraw/zinc/24/93/32/609249332.db2.gz HOSMZCYVQCTCHT-GOEBONIOSA-N -1 3 387.371 0.595 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826104152 609250997 /nfs/dbraw/zinc/25/09/97/609250997.db2.gz QQKGRNWSVBJWIT-KBPBESRZSA-N -1 3 377.401 0.325 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826104152 609250999 /nfs/dbraw/zinc/25/09/99/609250999.db2.gz QQKGRNWSVBJWIT-KBPBESRZSA-N -1 3 377.401 0.325 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H](OCCO)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257664 609252316 /nfs/dbraw/zinc/25/23/16/609252316.db2.gz KYJDCDWARROEKR-INIZCTEOSA-N -1 3 397.439 0.974 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H](OCCO)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257664 609252317 /nfs/dbraw/zinc/25/23/17/609252317.db2.gz KYJDCDWARROEKR-INIZCTEOSA-N -1 3 397.439 0.974 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CC(C)(CO)CO ZINC000824206141 609255220 /nfs/dbraw/zinc/25/52/20/609255220.db2.gz AMOXSHVNBSGKTE-OAHLLOKOSA-N -1 3 377.445 0.719 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CC(C)(CO)CO ZINC000824206141 609255222 /nfs/dbraw/zinc/25/52/22/609255222.db2.gz AMOXSHVNBSGKTE-OAHLLOKOSA-N -1 3 377.445 0.719 20 0 GCADHM O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826426813 609255580 /nfs/dbraw/zinc/25/55/80/609255580.db2.gz XAVSTPUQYRATIZ-GVDBMIGSSA-N -1 3 383.408 0.501 20 0 GCADHM O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826426813 609255581 /nfs/dbraw/zinc/25/55/81/609255581.db2.gz XAVSTPUQYRATIZ-GVDBMIGSSA-N -1 3 383.408 0.501 20 0 GCADHM CCOC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000825494256 609255991 /nfs/dbraw/zinc/25/59/91/609255991.db2.gz UPKQUHKOSUSOAU-HUUCEWRRSA-N -1 3 389.412 0.375 20 0 GCADHM CCOC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000825494256 609255992 /nfs/dbraw/zinc/25/59/92/609255992.db2.gz UPKQUHKOSUSOAU-HUUCEWRRSA-N -1 3 389.412 0.375 20 0 GCADHM O=C(N[C@H]1CCCc2c1cnn2CCO)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431305 609256708 /nfs/dbraw/zinc/25/67/08/609256708.db2.gz XMIOSKRRPLVXBQ-HOCLYGCPSA-N -1 3 383.412 0.283 20 0 GCADHM O=C(N[C@H]1CCCc2c1cnn2CCO)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431305 609256710 /nfs/dbraw/zinc/25/67/10/609256710.db2.gz XMIOSKRRPLVXBQ-HOCLYGCPSA-N -1 3 383.412 0.283 20 0 GCADHM O=C(NCCCc1nnc2n1CCCC2)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826437373 609257510 /nfs/dbraw/zinc/25/75/10/609257510.db2.gz IHUBNUPNTLYPEX-MRXNPFEDSA-N -1 3 382.428 0.577 20 0 GCADHM O=C(NCCCc1nnc2n1CCCC2)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826437373 609257511 /nfs/dbraw/zinc/25/75/11/609257511.db2.gz IHUBNUPNTLYPEX-MRXNPFEDSA-N -1 3 382.428 0.577 20 0 GCADHM O=C(Nc1c[nH]cc(Br)c1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826459621 609257593 /nfs/dbraw/zinc/25/75/93/609257593.db2.gz RHIYZHYLPBSNBT-LLVKDONJSA-N -1 3 391.185 0.990 20 0 GCADHM O=C(Nc1c[nH]cc(Br)c1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826459621 609257594 /nfs/dbraw/zinc/25/75/94/609257594.db2.gz RHIYZHYLPBSNBT-LLVKDONJSA-N -1 3 391.185 0.990 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2)c1=O ZINC000826365117 609259831 /nfs/dbraw/zinc/25/98/31/609259831.db2.gz BZDCOJQCICMVCO-OAHLLOKOSA-N -1 3 392.379 0.423 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2)c1=O ZINC000826365117 609259833 /nfs/dbraw/zinc/25/98/33/609259833.db2.gz BZDCOJQCICMVCO-OAHLLOKOSA-N -1 3 392.379 0.423 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826129408 609262041 /nfs/dbraw/zinc/26/20/41/609262041.db2.gz RAOANTUHRYPVCY-MELADBBJSA-N -1 3 375.385 0.079 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826129408 609262043 /nfs/dbraw/zinc/26/20/43/609262043.db2.gz RAOANTUHRYPVCY-MELADBBJSA-N -1 3 375.385 0.079 20 0 GCADHM CCN1CCO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000825465022 609265189 /nfs/dbraw/zinc/26/51/89/609265189.db2.gz GGDUOILRRVEJJT-CVEARBPZSA-N -1 3 399.455 0.199 20 0 GCADHM CNC(=O)C1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC1 ZINC000826050803 609265771 /nfs/dbraw/zinc/26/57/71/609265771.db2.gz DVKMLNSLVAYCEV-CQSZACIVSA-N -1 3 397.439 0.395 20 0 GCADHM CNC(=O)C1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC1 ZINC000826050803 609265773 /nfs/dbraw/zinc/26/57/73/609265773.db2.gz DVKMLNSLVAYCEV-CQSZACIVSA-N -1 3 397.439 0.395 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](O)c1cccc(F)c1 ZINC000824480327 609266891 /nfs/dbraw/zinc/26/68/91/609266891.db2.gz VOLFNNPTUWHBDL-GTNSWQLSSA-N -1 3 398.398 0.974 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](O)c1cccc(F)c1 ZINC000824480327 609266893 /nfs/dbraw/zinc/26/68/93/609266893.db2.gz VOLFNNPTUWHBDL-GTNSWQLSSA-N -1 3 398.398 0.974 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](O)c1ccc(F)cc1 ZINC000824480124 609267014 /nfs/dbraw/zinc/26/70/14/609267014.db2.gz UBQSFYMPINFWFO-GTNSWQLSSA-N -1 3 398.398 0.974 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](O)c1ccc(F)cc1 ZINC000824480124 609267016 /nfs/dbraw/zinc/26/70/16/609267016.db2.gz UBQSFYMPINFWFO-GTNSWQLSSA-N -1 3 398.398 0.974 20 0 GCADHM O=C1[C@@H]2COCCN2C(=O)N1C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826477711 609278544 /nfs/dbraw/zinc/27/85/44/609278544.db2.gz JOWGMJMFAVTHKX-RUXDESIVSA-N -1 3 399.411 0.615 20 0 GCADHM O=C1[C@@H]2COCCN2C(=O)N1C1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826477711 609278546 /nfs/dbraw/zinc/27/85/46/609278546.db2.gz JOWGMJMFAVTHKX-RUXDESIVSA-N -1 3 399.411 0.615 20 0 GCADHM CN(C)C(=O)N1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC000825845376 609282923 /nfs/dbraw/zinc/28/29/23/609282923.db2.gz GIIYKDDQBACWPS-UHFFFAOYSA-N -1 3 386.460 0.883 20 0 GCADHM CN(C)C(=O)N1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC000825845376 609282924 /nfs/dbraw/zinc/28/29/24/609282924.db2.gz GIIYKDDQBACWPS-UHFFFAOYSA-N -1 3 386.460 0.883 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000825492126 609285544 /nfs/dbraw/zinc/28/55/44/609285544.db2.gz DHICUXGONXJHIR-BLLLJJGKSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000825492126 609285546 /nfs/dbraw/zinc/28/55/46/609285546.db2.gz DHICUXGONXJHIR-BLLLJJGKSA-N -1 3 389.412 0.720 20 0 GCADHM C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)S(C)(=O)=O ZINC000824045255 609288387 /nfs/dbraw/zinc/28/83/87/609288387.db2.gz KABUZRGAAODTBL-QMMMGPOBSA-N -1 3 379.377 0.563 20 0 GCADHM O=C(CCN1CCOC1=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826407359 609291416 /nfs/dbraw/zinc/29/14/16/609291416.db2.gz KIXDLPLHCSIELQ-UHFFFAOYSA-N -1 3 386.347 0.972 20 0 GCADHM COC(=O)[C@@H](CO)NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826102906 609295009 /nfs/dbraw/zinc/29/50/09/609295009.db2.gz AHOICZQUDSOXRU-CYBMUJFWSA-N -1 3 387.352 0.302 20 0 GCADHM COC(=O)[C@@H](CO)NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826102906 609295010 /nfs/dbraw/zinc/29/50/10/609295010.db2.gz AHOICZQUDSOXRU-CYBMUJFWSA-N -1 3 387.352 0.302 20 0 GCADHM COC[C@H](CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)OC ZINC000826149823 609302916 /nfs/dbraw/zinc/30/29/16/609302916.db2.gz PSFHHLGVWRFUCO-AWEZNQCLSA-N -1 3 390.448 0.191 20 0 GCADHM COC[C@H](CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)OC ZINC000826149823 609302918 /nfs/dbraw/zinc/30/29/18/609302918.db2.gz PSFHHLGVWRFUCO-AWEZNQCLSA-N -1 3 390.448 0.191 20 0 GCADHM Cn1cc([C@@H]2NC(=O)[C@@H]3CSCCN32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359358 609303170 /nfs/dbraw/zinc/30/31/70/609303170.db2.gz DSMDZZPEKZVXNF-XJKSGUPXSA-N -1 3 382.453 0.813 20 0 GCADHM Cn1cc([C@@H]2NC(=O)[C@@H]3CSCCN32)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359358 609303171 /nfs/dbraw/zinc/30/31/71/609303171.db2.gz DSMDZZPEKZVXNF-XJKSGUPXSA-N -1 3 382.453 0.813 20 0 GCADHM Cc1nnc(SCc2ccc(-c3nnn[n-]3)cc2Br)n(N)c1=O ZINC000826337461 609306055 /nfs/dbraw/zinc/30/60/55/609306055.db2.gz PIZYJUASDZRFPB-UHFFFAOYSA-N -1 3 395.246 0.895 20 0 GCADHM Cc1nnc(SCc2ccc(-c3nn[n-]n3)cc2Br)n(N)c1=O ZINC000826337461 609306057 /nfs/dbraw/zinc/30/60/57/609306057.db2.gz PIZYJUASDZRFPB-UHFFFAOYSA-N -1 3 395.246 0.895 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000825930149 609310068 /nfs/dbraw/zinc/31/00/68/609310068.db2.gz QJRUABOGTRRPIN-JTQLQIEISA-N -1 3 385.436 0.027 20 0 GCADHM Cc1cc(C[C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[nH]n1 ZINC000826266420 609310409 /nfs/dbraw/zinc/31/04/09/609310409.db2.gz OEZFKOXEXUMUOJ-SECBINFHSA-N -1 3 387.452 0.409 20 0 GCADHM C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1CCN(C)CC1 ZINC000824047106 609312136 /nfs/dbraw/zinc/31/21/36/609312136.db2.gz XJBASLBVHVITFR-GFCCVEGCSA-N -1 3 399.434 0.766 20 0 GCADHM C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCN(C)CC1 ZINC000824047106 609312138 /nfs/dbraw/zinc/31/21/38/609312138.db2.gz XJBASLBVHVITFR-GFCCVEGCSA-N -1 3 399.434 0.766 20 0 GCADHM CC(C)CN(C)S(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000824255581 609314158 /nfs/dbraw/zinc/31/41/58/609314158.db2.gz OPKFMJSVHNVETF-UHFFFAOYSA-N -1 3 380.478 0.216 20 0 GCADHM CC(C)CN(C)S(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000824255581 609314160 /nfs/dbraw/zinc/31/41/60/609314160.db2.gz OPKFMJSVHNVETF-UHFFFAOYSA-N -1 3 380.478 0.216 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](COC)OC ZINC000826158668 609315913 /nfs/dbraw/zinc/31/59/13/609315913.db2.gz YFVSTUMIDWENDJ-OAHLLOKOSA-N -1 3 378.433 0.686 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](COC)OC ZINC000826158668 609315914 /nfs/dbraw/zinc/31/59/14/609315914.db2.gz YFVSTUMIDWENDJ-OAHLLOKOSA-N -1 3 378.433 0.686 20 0 GCADHM Cc1noc(C2(C)CCN(C(=O)CNc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826339777 609317104 /nfs/dbraw/zinc/31/71/04/609317104.db2.gz SNCLMDRFALYYGE-UHFFFAOYSA-N -1 3 383.416 0.945 20 0 GCADHM Cc1noc(C2(C)CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826339777 609317106 /nfs/dbraw/zinc/31/71/06/609317106.db2.gz SNCLMDRFALYYGE-UHFFFAOYSA-N -1 3 383.416 0.945 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000825492562 609318100 /nfs/dbraw/zinc/31/81/00/609318100.db2.gz GSNKBFGCNJOQLL-TZMCWYRMSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC000825492562 609318102 /nfs/dbraw/zinc/31/81/02/609318102.db2.gz GSNKBFGCNJOQLL-TZMCWYRMSA-N -1 3 395.441 0.503 20 0 GCADHM CN(C)C(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825841211 609318160 /nfs/dbraw/zinc/31/81/60/609318160.db2.gz TXUFYEDXDFLHCY-UHFFFAOYSA-N -1 3 378.458 0.746 20 0 GCADHM CN(C)C(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825841211 609318161 /nfs/dbraw/zinc/31/81/61/609318161.db2.gz TXUFYEDXDFLHCY-UHFFFAOYSA-N -1 3 378.458 0.746 20 0 GCADHM CC(C)S(=O)(=O)c1ccc(CC(=O)n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000824338069 609321065 /nfs/dbraw/zinc/32/10/65/609321065.db2.gz OMTCWNMRVSNHJG-UHFFFAOYSA-N -1 3 375.414 0.710 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826128318 609328894 /nfs/dbraw/zinc/32/88/94/609328894.db2.gz CGKHGFIJFZLHJU-TVQRCGJNSA-N -1 3 399.404 0.347 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826129760 609329583 /nfs/dbraw/zinc/32/95/83/609329583.db2.gz ZWENEECSVRVGTG-STQMWFEESA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826129760 609329586 /nfs/dbraw/zinc/32/95/86/609329586.db2.gz ZWENEECSVRVGTG-STQMWFEESA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826129443 609329762 /nfs/dbraw/zinc/32/97/62/609329762.db2.gz SGYDXCZRZFSVRS-PWSUYJOCSA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826129443 609329764 /nfs/dbraw/zinc/32/97/64/609329764.db2.gz SGYDXCZRZFSVRS-PWSUYJOCSA-N -1 3 381.414 0.208 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC(n2ccnn2)CC1 ZINC000826495646 609330068 /nfs/dbraw/zinc/33/00/68/609330068.db2.gz VOBZRHRRBLIBOP-UHFFFAOYSA-N -1 3 378.393 0.623 20 0 GCADHM Cc1c[nH]cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1=O ZINC000826318844 609338912 /nfs/dbraw/zinc/33/89/12/609338912.db2.gz CCWLIGUVSWAOQL-UHFFFAOYSA-N -1 3 383.387 0.965 20 0 GCADHM O=C(NCc1cc[nH]n1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826440569 609354527 /nfs/dbraw/zinc/35/45/27/609354527.db2.gz RRBAHCAQLOPMMJ-UHFFFAOYSA-N -1 3 396.346 0.170 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000826184644 609357301 /nfs/dbraw/zinc/35/73/01/609357301.db2.gz FNSXBNGEBVMSMQ-JSGCOSHPSA-N -1 3 388.428 0.823 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000826184644 609357303 /nfs/dbraw/zinc/35/73/03/609357303.db2.gz FNSXBNGEBVMSMQ-JSGCOSHPSA-N -1 3 388.428 0.823 20 0 GCADHM CN1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCC1=O ZINC000826017155 609358678 /nfs/dbraw/zinc/35/86/78/609358678.db2.gz HPGFECPHWWDPAE-SNVBAGLBSA-N -1 3 399.390 0.934 20 0 GCADHM O=C(NC[C@@]1(O)CCOC1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826434243 609361241 /nfs/dbraw/zinc/36/12/41/609361241.db2.gz HQEUCSHAGSPWPB-INIZCTEOSA-N -1 3 388.363 0.464 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1Br)[C@@H](C)C(N)=O ZINC000826158965 609362541 /nfs/dbraw/zinc/36/25/41/609362541.db2.gz KNJRIQOXAMPTGM-VIFPVBQESA-N -1 3 383.250 0.951 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1Br)[C@@H](C)C(N)=O ZINC000826158965 609362543 /nfs/dbraw/zinc/36/25/43/609362543.db2.gz KNJRIQOXAMPTGM-VIFPVBQESA-N -1 3 383.250 0.951 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1Br)[C@H](C)C(N)=O ZINC000826158964 609362955 /nfs/dbraw/zinc/36/29/55/609362955.db2.gz KNJRIQOXAMPTGM-SECBINFHSA-N -1 3 383.250 0.951 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1Br)[C@H](C)C(N)=O ZINC000826158964 609362956 /nfs/dbraw/zinc/36/29/56/609362956.db2.gz KNJRIQOXAMPTGM-SECBINFHSA-N -1 3 383.250 0.951 20 0 GCADHM O=C1NC[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3Br)CCN12 ZINC000826482344 609364962 /nfs/dbraw/zinc/36/49/62/609364962.db2.gz BJPWRQZKWBZUGT-LLVKDONJSA-N -1 3 378.234 0.839 20 0 GCADHM O=C1NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3Br)CCN12 ZINC000826482344 609364964 /nfs/dbraw/zinc/36/49/64/609364964.db2.gz BJPWRQZKWBZUGT-LLVKDONJSA-N -1 3 378.234 0.839 20 0 GCADHM C[C@H](O)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824700290 609365798 /nfs/dbraw/zinc/36/57/98/609365798.db2.gz XUYBDCFURWAHBD-VIFPVBQESA-N -1 3 388.363 0.017 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826471624 609366649 /nfs/dbraw/zinc/36/66/49/609366649.db2.gz HPCRMXNVPYPFKH-UHFFFAOYSA-N -1 3 376.442 0.553 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826471624 609366653 /nfs/dbraw/zinc/36/66/53/609366653.db2.gz HPCRMXNVPYPFKH-UHFFFAOYSA-N -1 3 376.442 0.553 20 0 GCADHM O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826399033 609366760 /nfs/dbraw/zinc/36/67/60/609366760.db2.gz KXOOPNOCWZXFLA-UHFFFAOYSA-N -1 3 390.469 0.687 20 0 GCADHM O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826399033 609366762 /nfs/dbraw/zinc/36/67/62/609366762.db2.gz KXOOPNOCWZXFLA-UHFFFAOYSA-N -1 3 390.469 0.687 20 0 GCADHM COc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1-n1cnnn1 ZINC000543831903 609374731 /nfs/dbraw/zinc/37/47/31/609374731.db2.gz UDPZJDZJTZLHRD-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM COc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1-n1cnnn1 ZINC000543831903 609374733 /nfs/dbraw/zinc/37/47/33/609374733.db2.gz UDPZJDZJTZLHRD-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000826393417 609381995 /nfs/dbraw/zinc/38/19/95/609381995.db2.gz RBLJQZWAHZEKBU-UHFFFAOYSA-N -1 3 378.396 0.323 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000826393417 609381998 /nfs/dbraw/zinc/38/19/98/609381998.db2.gz RBLJQZWAHZEKBU-UHFFFAOYSA-N -1 3 378.396 0.323 20 0 GCADHM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000823989210 609384766 /nfs/dbraw/zinc/38/47/66/609384766.db2.gz PXMMGSFSXHSWAL-HNNXBMFYSA-N -1 3 396.411 0.162 20 0 GCADHM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000823989210 609384768 /nfs/dbraw/zinc/38/47/68/609384768.db2.gz PXMMGSFSXHSWAL-HNNXBMFYSA-N -1 3 396.411 0.162 20 0 GCADHM Cc1nc(SCC(=O)Nc2cc(C(N)=O)[nH]n2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327530 609391341 /nfs/dbraw/zinc/39/13/41/609391341.db2.gz KXNKGGZMMZTSHV-UHFFFAOYSA-N -1 3 387.429 0.740 20 0 GCADHM Cc1nc(SCC(=O)Nc2cc(C(N)=O)[nH]n2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327530 609391343 /nfs/dbraw/zinc/39/13/43/609391343.db2.gz KXNKGGZMMZTSHV-UHFFFAOYSA-N -1 3 387.429 0.740 20 0 GCADHM C[C@H](OC(=O)c1cccc(C(N)=O)n1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824723899 609394498 /nfs/dbraw/zinc/39/44/98/609394498.db2.gz WNNSAJITQJUJEB-VIFPVBQESA-N -1 3 381.352 0.545 20 0 GCADHM C[C@H](OC(=O)c1cccc(C(N)=O)n1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824723899 609394500 /nfs/dbraw/zinc/39/45/00/609394500.db2.gz WNNSAJITQJUJEB-VIFPVBQESA-N -1 3 381.352 0.545 20 0 GCADHM CC[C@](C)(CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825042829 609396090 /nfs/dbraw/zinc/39/60/90/609396090.db2.gz ACTNDHCORGAQDI-BDJLRTHQSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@](C)(CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825042829 609396092 /nfs/dbraw/zinc/39/60/92/609396092.db2.gz ACTNDHCORGAQDI-BDJLRTHQSA-N -1 3 396.473 0.201 20 0 GCADHM NC(=O)c1cccc(C(=O)O[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n1 ZINC000826393090 609396097 /nfs/dbraw/zinc/39/60/97/609396097.db2.gz BDXGTKRYIZLJCG-NSHDSACASA-N -1 3 399.392 0.384 20 0 GCADHM NC(=O)c1cccc(C(=O)O[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n1 ZINC000826393090 609396099 /nfs/dbraw/zinc/39/60/99/609396099.db2.gz BDXGTKRYIZLJCG-NSHDSACASA-N -1 3 399.392 0.384 20 0 GCADHM CC[C@@](C)(CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825043987 609396627 /nfs/dbraw/zinc/39/66/27/609396627.db2.gz LMFWJMCLPNNLHF-BZNIZROVSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@@](C)(CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825043987 609396629 /nfs/dbraw/zinc/39/66/29/609396629.db2.gz LMFWJMCLPNNLHF-BZNIZROVSA-N -1 3 396.473 0.201 20 0 GCADHM CN1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)C(=O)N1 ZINC000826018312 609397384 /nfs/dbraw/zinc/39/73/84/609397384.db2.gz VNMIUSCTJLDXOU-CYBMUJFWSA-N -1 3 379.380 0.734 20 0 GCADHM CN1C[C@@H](NC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)C(=O)N1 ZINC000826018312 609397385 /nfs/dbraw/zinc/39/73/85/609397385.db2.gz VNMIUSCTJLDXOU-CYBMUJFWSA-N -1 3 379.380 0.734 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000824634599 609397913 /nfs/dbraw/zinc/39/79/13/609397913.db2.gz VXYIBVDWCHPNJF-MJVIPROJSA-N -1 3 396.448 0.740 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000824634599 609397915 /nfs/dbraw/zinc/39/79/15/609397915.db2.gz VXYIBVDWCHPNJF-MJVIPROJSA-N -1 3 396.448 0.740 20 0 GCADHM COC[C@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1)C(=O)OC ZINC000826150549 609404317 /nfs/dbraw/zinc/40/43/17/609404317.db2.gz HEKWNPRKFQERFL-NSHDSACASA-N -1 3 392.441 0.779 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000826060092 609406267 /nfs/dbraw/zinc/40/62/67/609406267.db2.gz GXRLMDHGMZLHBB-LLVKDONJSA-N -1 3 399.333 0.864 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000826060092 609406269 /nfs/dbraw/zinc/40/62/69/609406269.db2.gz GXRLMDHGMZLHBB-LLVKDONJSA-N -1 3 399.333 0.864 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000826411792 609407009 /nfs/dbraw/zinc/40/70/09/609407009.db2.gz NQOANHGFWBVLBU-MRXNPFEDSA-N -1 3 398.398 0.455 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000826411792 609407012 /nfs/dbraw/zinc/40/70/12/609407012.db2.gz NQOANHGFWBVLBU-MRXNPFEDSA-N -1 3 398.398 0.455 20 0 GCADHM Cc1ccsc1[C@@H](CO)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826315643 609407538 /nfs/dbraw/zinc/40/75/38/609407538.db2.gz OZRZUKCWZVEHTF-CYBMUJFWSA-N -1 3 386.437 0.816 20 0 GCADHM Cc1ccsc1[C@@H](CO)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826315643 609407540 /nfs/dbraw/zinc/40/75/40/609407540.db2.gz OZRZUKCWZVEHTF-CYBMUJFWSA-N -1 3 386.437 0.816 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000824019654 609421507 /nfs/dbraw/zinc/42/15/07/609421507.db2.gz JRTKMZFWMAFDKL-UHFFFAOYSA-N -1 3 385.428 0.562 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000824019654 609421509 /nfs/dbraw/zinc/42/15/09/609421509.db2.gz JRTKMZFWMAFDKL-UHFFFAOYSA-N -1 3 385.428 0.562 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826244317 609423961 /nfs/dbraw/zinc/42/39/61/609423961.db2.gz ODAVGTCHLKMEBB-UHFFFAOYSA-N -1 3 390.469 0.862 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826244317 609423963 /nfs/dbraw/zinc/42/39/63/609423963.db2.gz ODAVGTCHLKMEBB-UHFFFAOYSA-N -1 3 390.469 0.862 20 0 GCADHM COc1ccccc1[C@H](CO)NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826218935 609427020 /nfs/dbraw/zinc/42/70/20/609427020.db2.gz OSBNFAXSAQCIOT-INIZCTEOSA-N -1 3 382.424 0.815 20 0 GCADHM COCCCNC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826156729 609428014 /nfs/dbraw/zinc/42/80/14/609428014.db2.gz REDHJMUZZJFDJL-LBPRGKRZSA-N -1 3 375.433 0.278 20 0 GCADHM COCCCNC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826156729 609428016 /nfs/dbraw/zinc/42/80/16/609428016.db2.gz REDHJMUZZJFDJL-LBPRGKRZSA-N -1 3 375.433 0.278 20 0 GCADHM CCN(Cc1cn(C)nn1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825439618 609430494 /nfs/dbraw/zinc/43/04/94/609430494.db2.gz HTJQJSOSSXEIDT-UHFFFAOYSA-N -1 3 389.807 0.636 20 0 GCADHM CCN(Cc1cn(C)nn1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825439618 609430496 /nfs/dbraw/zinc/43/04/96/609430496.db2.gz HTJQJSOSSXEIDT-UHFFFAOYSA-N -1 3 389.807 0.636 20 0 GCADHM Cn1cnn(CC(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)nc2)c1=O ZINC000826365278 609437677 /nfs/dbraw/zinc/43/76/77/609437677.db2.gz HRULGBDOOMTASC-UHFFFAOYSA-N -1 3 393.367 0.588 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826495143 609447689 /nfs/dbraw/zinc/44/76/89/609447689.db2.gz DQGCFUUIKJELKS-NSHDSACASA-N -1 3 392.420 0.698 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)CN1C[C@@H](C(=O)OC)CC1=O ZINC000826158839 609459191 /nfs/dbraw/zinc/45/91/91/609459191.db2.gz FNMNMEKHXAEHEA-HNNXBMFYSA-N -1 3 388.428 0.294 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)CN1C[C@@H](C(=O)OC)CC1=O ZINC000826158839 609459195 /nfs/dbraw/zinc/45/91/95/609459195.db2.gz FNMNMEKHXAEHEA-HNNXBMFYSA-N -1 3 388.428 0.294 20 0 GCADHM COC(=O)[C@H]1CC(=O)N(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000826129239 609459767 /nfs/dbraw/zinc/45/97/67/609459767.db2.gz MUWDXWRYXCPJHD-AWEZNQCLSA-N -1 3 399.455 0.358 20 0 GCADHM Cn1cccc1C(=O)N1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826363231 609462244 /nfs/dbraw/zinc/46/22/44/609462244.db2.gz CZAOJIDBQMRKAK-UHFFFAOYSA-N -1 3 377.412 0.815 20 0 GCADHM Cn1cccc1C(=O)N1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826363231 609462246 /nfs/dbraw/zinc/46/22/46/609462246.db2.gz CZAOJIDBQMRKAK-UHFFFAOYSA-N -1 3 377.412 0.815 20 0 GCADHM O=c1n(CCCNc2nc3ccccn3c2-c2nnn[n-]2)nc2n1CCCC2 ZINC000826502058 609462367 /nfs/dbraw/zinc/46/23/67/609462367.db2.gz SOXAIYNAPZSRMD-UHFFFAOYSA-N -1 3 380.416 0.711 20 0 GCADHM O=c1n(CCCNc2nc3ccccn3c2-c2nn[n-]n2)nc2n1CCCC2 ZINC000826502058 609462368 /nfs/dbraw/zinc/46/23/68/609462368.db2.gz SOXAIYNAPZSRMD-UHFFFAOYSA-N -1 3 380.416 0.711 20 0 GCADHM Nc1nccnc1C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826396878 609463423 /nfs/dbraw/zinc/46/34/23/609463423.db2.gz NHUJZXKGCXUZMF-GFCCVEGCSA-N -1 3 380.368 0.591 20 0 GCADHM Nc1nccnc1C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826396878 609463426 /nfs/dbraw/zinc/46/34/26/609463426.db2.gz NHUJZXKGCXUZMF-GFCCVEGCSA-N -1 3 380.368 0.591 20 0 GCADHM Cn1ccc(C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1=O ZINC000826363064 609465383 /nfs/dbraw/zinc/46/53/83/609465383.db2.gz VMXMFSMKNCSGEC-HNNXBMFYSA-N -1 3 394.391 0.918 20 0 GCADHM Cn1ccc(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1=O ZINC000826363064 609465385 /nfs/dbraw/zinc/46/53/85/609465385.db2.gz VMXMFSMKNCSGEC-HNNXBMFYSA-N -1 3 394.391 0.918 20 0 GCADHM CNC(=O)C1(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826051817 609467251 /nfs/dbraw/zinc/46/72/51/609467251.db2.gz NPHHSVYHQNPVNY-CYBMUJFWSA-N -1 3 384.396 0.432 20 0 GCADHM CNC(=O)C1(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826051817 609467252 /nfs/dbraw/zinc/46/72/52/609467252.db2.gz NPHHSVYHQNPVNY-CYBMUJFWSA-N -1 3 384.396 0.432 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC(n2cc([C@H](C)O)nn2)C1 ZINC000824731158 609471391 /nfs/dbraw/zinc/47/13/91/609471391.db2.gz SGWXOJKWPHUGPN-WDEREUQCSA-N -1 3 384.400 0.362 20 0 GCADHM O=C(COCCNC(=O)c1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826416803 609477387 /nfs/dbraw/zinc/47/73/87/609477387.db2.gz QPRWIISEWKKGFI-UHFFFAOYSA-N -1 3 380.408 0.930 20 0 GCADHM O=C(COCCNC(=O)c1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826416803 609477389 /nfs/dbraw/zinc/47/73/89/609477389.db2.gz QPRWIISEWKKGFI-UHFFFAOYSA-N -1 3 380.408 0.930 20 0 GCADHM O=C(COCCNC(=O)c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000541424320 609477594 /nfs/dbraw/zinc/47/75/94/609477594.db2.gz OOHSKOQXLQVFCG-UHFFFAOYSA-N -1 3 380.408 0.930 20 0 GCADHM O=C(COCCNC(=O)c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000541424320 609477596 /nfs/dbraw/zinc/47/75/96/609477596.db2.gz OOHSKOQXLQVFCG-UHFFFAOYSA-N -1 3 380.408 0.930 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000826161885 609482547 /nfs/dbraw/zinc/48/25/47/609482547.db2.gz DDIVJVDDJYMJLW-CHWSQXEVSA-N -1 3 390.444 0.940 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000826161885 609482549 /nfs/dbraw/zinc/48/25/49/609482549.db2.gz DDIVJVDDJYMJLW-CHWSQXEVSA-N -1 3 390.444 0.940 20 0 GCADHM CCCCNC(=O)NC(=O)CNc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825284922 609482830 /nfs/dbraw/zinc/48/28/30/609482830.db2.gz CQQUPPYXPPXWOR-UHFFFAOYSA-N -1 3 391.432 0.930 20 0 GCADHM CCCCNC(=O)NC(=O)CNc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825284922 609482832 /nfs/dbraw/zinc/48/28/32/609482832.db2.gz CQQUPPYXPPXWOR-UHFFFAOYSA-N -1 3 391.432 0.930 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)N1CCO[C@@H](C)C1 ZINC000826162345 609483554 /nfs/dbraw/zinc/48/35/54/609483554.db2.gz XQQRCFGNAMBAQR-LBPRGKRZSA-N -1 3 376.417 0.551 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1CCO[C@@H](C)C1 ZINC000826162345 609483558 /nfs/dbraw/zinc/48/35/58/609483558.db2.gz XQQRCFGNAMBAQR-LBPRGKRZSA-N -1 3 376.417 0.551 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000825476465 609492978 /nfs/dbraw/zinc/49/29/78/609492978.db2.gz LBNZQTLOCLBVIW-CYBMUJFWSA-N -1 3 376.446 0.028 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000825476465 609492979 /nfs/dbraw/zinc/49/29/79/609492979.db2.gz LBNZQTLOCLBVIW-CYBMUJFWSA-N -1 3 376.446 0.028 20 0 GCADHM C[C@@H](CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)S(N)(=O)=O ZINC000824422119 609494549 /nfs/dbraw/zinc/49/45/49/609494549.db2.gz XEGIDDLVEVGXKH-LURJTMIESA-N -1 3 391.360 0.267 20 0 GCADHM C[C@@H](CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)S(N)(=O)=O ZINC000824422119 609494552 /nfs/dbraw/zinc/49/45/52/609494552.db2.gz XEGIDDLVEVGXKH-LURJTMIESA-N -1 3 391.360 0.267 20 0 GCADHM O=C(c1ccccc1)N1CC(S(=O)(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826474295 609495957 /nfs/dbraw/zinc/49/59/57/609495957.db2.gz JVDULGXNVXZANL-UHFFFAOYSA-N -1 3 398.448 0.811 20 0 GCADHM O=C(c1ccccc1)N1CC(S(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826474295 609495958 /nfs/dbraw/zinc/49/59/58/609495958.db2.gz JVDULGXNVXZANL-UHFFFAOYSA-N -1 3 398.448 0.811 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000826357525 609496009 /nfs/dbraw/zinc/49/60/09/609496009.db2.gz IOBWIMOBHAXVJP-CQSZACIVSA-N -1 3 380.412 0.521 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000826357525 609496010 /nfs/dbraw/zinc/49/60/10/609496010.db2.gz IOBWIMOBHAXVJP-CQSZACIVSA-N -1 3 380.412 0.521 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)CCO2)no1 ZINC000826325197 609497300 /nfs/dbraw/zinc/49/73/00/609497300.db2.gz QMCIFVOLNFDDRR-CYBMUJFWSA-N -1 3 391.413 0.461 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)CCO2)no1 ZINC000826325197 609497303 /nfs/dbraw/zinc/49/73/03/609497303.db2.gz QMCIFVOLNFDDRR-CYBMUJFWSA-N -1 3 391.413 0.461 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826325316 609497780 /nfs/dbraw/zinc/49/77/80/609497780.db2.gz UCTITSZEAJASAS-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826325316 609497782 /nfs/dbraw/zinc/49/77/82/609497782.db2.gz UCTITSZEAJASAS-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)CCO2)no1 ZINC000826325495 609497913 /nfs/dbraw/zinc/49/79/13/609497913.db2.gz ZPDTVOWSQOXBKR-LLVKDONJSA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)CCO2)no1 ZINC000826325495 609497916 /nfs/dbraw/zinc/49/79/16/609497916.db2.gz ZPDTVOWSQOXBKR-LLVKDONJSA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)no1 ZINC000826325439 609498079 /nfs/dbraw/zinc/49/80/79/609498079.db2.gz XLUJCROFSRPJSM-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)no1 ZINC000826325439 609498081 /nfs/dbraw/zinc/49/80/81/609498081.db2.gz XLUJCROFSRPJSM-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000826337256 609498121 /nfs/dbraw/zinc/49/81/21/609498121.db2.gz IMCQFONPXDKGDY-JTQLQIEISA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000826337256 609498123 /nfs/dbraw/zinc/49/81/23/609498123.db2.gz IMCQFONPXDKGDY-JTQLQIEISA-N -1 3 394.848 0.713 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC000824364528 609498556 /nfs/dbraw/zinc/49/85/56/609498556.db2.gz KJRPXSDKWMBIOH-LLVKDONJSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC000824364528 609498559 /nfs/dbraw/zinc/49/85/59/609498559.db2.gz KJRPXSDKWMBIOH-LLVKDONJSA-N -1 3 388.457 0.875 20 0 GCADHM CCc1nnc2n1C[C@@H](NS(=O)(=O)c1cc(-c3nnn[n-]3)ccc1C)CC2 ZINC000825771582 609498881 /nfs/dbraw/zinc/49/88/81/609498881.db2.gz MQMTXURBXLSAOE-LBPRGKRZSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nnc2n1C[C@@H](NS(=O)(=O)c1cc(-c3nn[n-]n3)ccc1C)CC2 ZINC000825771582 609498882 /nfs/dbraw/zinc/49/88/82/609498882.db2.gz MQMTXURBXLSAOE-LBPRGKRZSA-N -1 3 388.457 0.622 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824364375 609498921 /nfs/dbraw/zinc/49/89/21/609498921.db2.gz CWRHVQINLGJDDZ-LBPRGKRZSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824364375 609498923 /nfs/dbraw/zinc/49/89/23/609498923.db2.gz CWRHVQINLGJDDZ-LBPRGKRZSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000824301138 609504098 /nfs/dbraw/zinc/50/40/98/609504098.db2.gz QYNSITWDDBLORT-CQSZACIVSA-N -1 3 383.412 0.051 20 0 GCADHM CC(C)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000824301138 609504099 /nfs/dbraw/zinc/50/40/99/609504099.db2.gz QYNSITWDDBLORT-CQSZACIVSA-N -1 3 383.412 0.051 20 0 GCADHM O=C(NC[C@H]1CCCO1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826435573 609509356 /nfs/dbraw/zinc/50/93/56/609509356.db2.gz RDVNDWSYZWLZAS-HUUCEWRRSA-N -1 3 385.428 0.840 20 0 GCADHM O=C(NC[C@H]1CCCO1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826435573 609509358 /nfs/dbraw/zinc/50/93/58/609509358.db2.gz RDVNDWSYZWLZAS-HUUCEWRRSA-N -1 3 385.428 0.840 20 0 GCADHM CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825839887 609510211 /nfs/dbraw/zinc/51/02/11/609510211.db2.gz KOTMDGKINAICQC-UHFFFAOYSA-N -1 3 378.458 0.497 20 0 GCADHM CN(C)C(=O)C1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825839887 609510213 /nfs/dbraw/zinc/51/02/13/609510213.db2.gz KOTMDGKINAICQC-UHFFFAOYSA-N -1 3 378.458 0.497 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000824738465 609514533 /nfs/dbraw/zinc/51/45/33/609514533.db2.gz PAKSPWRTMBLLSE-RISCZKNCSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000824744939 609514565 /nfs/dbraw/zinc/51/45/65/609514565.db2.gz JPQPUKSEIFQNMR-VXGBXAGGSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000824744939 609514568 /nfs/dbraw/zinc/51/45/68/609514568.db2.gz JPQPUKSEIFQNMR-VXGBXAGGSA-N -1 3 379.442 0.718 20 0 GCADHM NC(=O)c1cccc(CSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826393656 609528927 /nfs/dbraw/zinc/52/89/27/609528927.db2.gz CJZJVBCSYPADJM-UHFFFAOYSA-N -1 3 383.437 0.910 20 0 GCADHM NC(=O)c1cccc(CSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826393656 609528930 /nfs/dbraw/zinc/52/89/30/609528930.db2.gz CJZJVBCSYPADJM-UHFFFAOYSA-N -1 3 383.437 0.910 20 0 GCADHM NC(=O)c1cccc(CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826393921 609529274 /nfs/dbraw/zinc/52/92/74/609529274.db2.gz PABKYADZHLRYFW-UHFFFAOYSA-N -1 3 383.437 0.910 20 0 GCADHM NC(=O)c1cccc(CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826393921 609529276 /nfs/dbraw/zinc/52/92/76/609529276.db2.gz PABKYADZHLRYFW-UHFFFAOYSA-N -1 3 383.437 0.910 20 0 GCADHM CN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825888840 609536251 /nfs/dbraw/zinc/53/62/51/609536251.db2.gz WKJYRXDTROHDPU-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM CN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825888840 609536254 /nfs/dbraw/zinc/53/62/54/609536254.db2.gz WKJYRXDTROHDPU-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)NC1CCCC1 ZINC000826412733 609544450 /nfs/dbraw/zinc/54/44/50/609544450.db2.gz BHAJMVPRHXTNBD-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)NC1CCCC1 ZINC000826412733 609544453 /nfs/dbraw/zinc/54/44/53/609544453.db2.gz BHAJMVPRHXTNBD-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM CCc1nc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)no1 ZINC000825744478 609545585 /nfs/dbraw/zinc/54/55/85/609545585.db2.gz AZMMYNZMUJIZMT-UHFFFAOYSA-N -1 3 383.821 0.987 20 0 GCADHM CCc1nc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000825744478 609545587 /nfs/dbraw/zinc/54/55/87/609545587.db2.gz AZMMYNZMUJIZMT-UHFFFAOYSA-N -1 3 383.821 0.987 20 0 GCADHM COCCCNC(=O)[C@H](C)N1CCN(c2nccc(C)c2-c2nnn[n-]2)CC1 ZINC000826156337 609548888 /nfs/dbraw/zinc/54/88/88/609548888.db2.gz YVRDCCDNSYVRNN-AWEZNQCLSA-N -1 3 388.476 0.233 20 0 GCADHM COCCCNC(=O)[C@H](C)N1CCN(c2nccc(C)c2-c2nn[n-]n2)CC1 ZINC000826156337 609548891 /nfs/dbraw/zinc/54/88/91/609548891.db2.gz YVRDCCDNSYVRNN-AWEZNQCLSA-N -1 3 388.476 0.233 20 0 GCADHM O=S(=O)(NCCOC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826491609 609549139 /nfs/dbraw/zinc/54/91/39/609549139.db2.gz RQOBOIJCNOMIRT-LLVKDONJSA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(NCCOC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826491609 609549141 /nfs/dbraw/zinc/54/91/41/609549141.db2.gz RQOBOIJCNOMIRT-LLVKDONJSA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(NC[C@@]1(O)CCSC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826490146 609554825 /nfs/dbraw/zinc/55/48/25/609554825.db2.gz KXUCXWDFUJPQRL-LBPRGKRZSA-N -1 3 375.863 0.666 20 0 GCADHM O=S(=O)(NC[C@@]1(O)CCSC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826490146 609554827 /nfs/dbraw/zinc/55/48/27/609554827.db2.gz KXUCXWDFUJPQRL-LBPRGKRZSA-N -1 3 375.863 0.666 20 0 GCADHM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826390792 609554936 /nfs/dbraw/zinc/55/49/36/609554936.db2.gz MDLQKVARMIXQJO-SECBINFHSA-N -1 3 384.849 0.796 20 0 GCADHM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826390792 609554938 /nfs/dbraw/zinc/55/49/38/609554938.db2.gz MDLQKVARMIXQJO-SECBINFHSA-N -1 3 384.849 0.796 20 0 GCADHM COc1ccc(CNS(=O)(=O)c2cn3c(n2)CCCC3)cc1-c1nnn[n-]1 ZINC000826203372 609560018 /nfs/dbraw/zinc/56/00/18/609560018.db2.gz LGTSPNAXYCCICS-UHFFFAOYSA-N -1 3 389.441 0.887 20 0 GCADHM COc1ccc(CNS(=O)(=O)c2cn3c(n2)CCCC3)cc1-c1nn[n-]n1 ZINC000826203372 609560019 /nfs/dbraw/zinc/56/00/19/609560019.db2.gz LGTSPNAXYCCICS-UHFFFAOYSA-N -1 3 389.441 0.887 20 0 GCADHM CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825898063 609565228 /nfs/dbraw/zinc/56/52/28/609565228.db2.gz XRYAUSCVTCSIRO-UHFFFAOYSA-N -1 3 375.838 0.132 20 0 GCADHM CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825898063 609565230 /nfs/dbraw/zinc/56/52/30/609565230.db2.gz XRYAUSCVTCSIRO-UHFFFAOYSA-N -1 3 375.838 0.132 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCNC(=O)c1ccn[nH]1 ZINC000826268159 609567693 /nfs/dbraw/zinc/56/76/93/609567693.db2.gz MJXITSNATPTKSV-UHFFFAOYSA-N -1 3 381.375 0.849 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCNC(=O)c1ccn[nH]1 ZINC000826268159 609567696 /nfs/dbraw/zinc/56/76/96/609567696.db2.gz MJXITSNATPTKSV-UHFFFAOYSA-N -1 3 381.375 0.849 20 0 GCADHM Cc1cc(C(=O)N2CCN(C3CC3)C(=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257862 609571218 /nfs/dbraw/zinc/57/12/18/609571218.db2.gz QZNUKYIQIDDMKC-UHFFFAOYSA-N -1 3 392.423 0.808 20 0 GCADHM Cc1cc(C(=O)N2CCN(C3CC3)C(=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257862 609571220 /nfs/dbraw/zinc/57/12/20/609571220.db2.gz QZNUKYIQIDDMKC-UHFFFAOYSA-N -1 3 392.423 0.808 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826495654 609572308 /nfs/dbraw/zinc/57/23/08/609572308.db2.gz VWXGEOPSDRCPOG-HUUCEWRRSA-N -1 3 378.458 0.086 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826495654 609572311 /nfs/dbraw/zinc/57/23/11/609572311.db2.gz VWXGEOPSDRCPOG-HUUCEWRRSA-N -1 3 378.458 0.086 20 0 GCADHM Cc1ccnc(N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1-c1nnn[n-]1 ZINC000826312044 609581634 /nfs/dbraw/zinc/58/16/34/609581634.db2.gz UPCGEKFSLPVHTA-CQSZACIVSA-N -1 3 394.439 0.585 20 0 GCADHM Cc1ccnc(N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1-c1nn[n-]n1 ZINC000826312044 609581637 /nfs/dbraw/zinc/58/16/37/609581637.db2.gz UPCGEKFSLPVHTA-CQSZACIVSA-N -1 3 394.439 0.585 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(N)=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257414 609582881 /nfs/dbraw/zinc/58/28/81/609582881.db2.gz BJQGHSADEYTIHU-LBPRGKRZSA-N -1 3 381.400 0.244 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(N)=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257414 609582883 /nfs/dbraw/zinc/58/28/83/609582883.db2.gz BJQGHSADEYTIHU-LBPRGKRZSA-N -1 3 381.400 0.244 20 0 GCADHM COC(=O)[C@]1(NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CCOC1 ZINC000826124811 609593472 /nfs/dbraw/zinc/59/34/72/609593472.db2.gz WHEBTSNOVRRRLK-SFHVURJKSA-N -1 3 397.395 0.423 20 0 GCADHM COC(=O)[C@]1(NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CCOC1 ZINC000826124811 609593474 /nfs/dbraw/zinc/59/34/74/609593474.db2.gz WHEBTSNOVRRRLK-SFHVURJKSA-N -1 3 397.395 0.423 20 0 GCADHM Cn1cc(CNC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826360879 609596473 /nfs/dbraw/zinc/59/64/73/609596473.db2.gz BPLKCHOHAFKNPX-HNNXBMFYSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1cc(CNC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826360879 609596475 /nfs/dbraw/zinc/59/64/75/609596475.db2.gz BPLKCHOHAFKNPX-HNNXBMFYSA-N -1 3 395.427 0.595 20 0 GCADHM C[S@@](=O)CCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826224700 609603256 /nfs/dbraw/zinc/60/32/56/609603256.db2.gz KENFRZZPFIWCKA-PFUSGODGSA-N -1 3 391.457 0.040 20 0 GCADHM C[S@@](=O)CCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826224700 609603257 /nfs/dbraw/zinc/60/32/57/609603257.db2.gz KENFRZZPFIWCKA-PFUSGODGSA-N -1 3 391.457 0.040 20 0 GCADHM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3c[nH]c(-c4nnn[n-]4)c3)no2)cn1 ZINC000826356409 609607247 /nfs/dbraw/zinc/60/72/47/609607247.db2.gz PHSLUSQLZNHCHC-LBPRGKRZSA-N -1 3 396.371 0.192 20 0 GCADHM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3c[nH]c(-c4nn[n-]n4)c3)no2)cn1 ZINC000826356409 609607249 /nfs/dbraw/zinc/60/72/49/609607249.db2.gz PHSLUSQLZNHCHC-LBPRGKRZSA-N -1 3 396.371 0.192 20 0 GCADHM O=C(NCC[C@H]1CCOC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826436497 609607298 /nfs/dbraw/zinc/60/72/98/609607298.db2.gz VRYJHGPAXYJWSN-ZDUSSCGKSA-N -1 3 386.460 0.956 20 0 GCADHM O=C(NCC[C@H]1CCOC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826436497 609607300 /nfs/dbraw/zinc/60/73/00/609607300.db2.gz VRYJHGPAXYJWSN-ZDUSSCGKSA-N -1 3 386.460 0.956 20 0 GCADHM CN1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826023249 609608180 /nfs/dbraw/zinc/60/81/80/609608180.db2.gz ZQNGNUJBNUMIHV-ZFWWWQNUSA-N -1 3 397.439 0.347 20 0 GCADHM CN1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826023249 609608181 /nfs/dbraw/zinc/60/81/81/609608181.db2.gz ZQNGNUJBNUMIHV-ZFWWWQNUSA-N -1 3 397.439 0.347 20 0 GCADHM Cc1cnc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826317974 609608209 /nfs/dbraw/zinc/60/82/09/609608209.db2.gz RDTDMQHLVUHWTC-AWEZNQCLSA-N -1 3 378.396 0.891 20 0 GCADHM Cc1cnc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826317974 609608211 /nfs/dbraw/zinc/60/82/11/609608211.db2.gz RDTDMQHLVUHWTC-AWEZNQCLSA-N -1 3 378.396 0.891 20 0 GCADHM Cc1cnc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826317975 609609233 /nfs/dbraw/zinc/60/92/33/609609233.db2.gz RDTDMQHLVUHWTC-CQSZACIVSA-N -1 3 378.396 0.891 20 0 GCADHM Cc1cnc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826317975 609609234 /nfs/dbraw/zinc/60/92/34/609609234.db2.gz RDTDMQHLVUHWTC-CQSZACIVSA-N -1 3 378.396 0.891 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(C)C ZINC000823989221 609609519 /nfs/dbraw/zinc/60/95/19/609609519.db2.gz QHVZOFCRHGDOHN-HZPDHXFCSA-N -1 3 399.455 0.639 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(C)C ZINC000823989221 609609520 /nfs/dbraw/zinc/60/95/20/609609520.db2.gz QHVZOFCRHGDOHN-HZPDHXFCSA-N -1 3 399.455 0.639 20 0 GCADHM COCCCOCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826156826 609610158 /nfs/dbraw/zinc/61/01/58/609610158.db2.gz VOHDIRZTLJHSOJ-HNNXBMFYSA-N -1 3 388.428 0.531 20 0 GCADHM COCCCOCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826156826 609610159 /nfs/dbraw/zinc/61/01/59/609610159.db2.gz VOHDIRZTLJHSOJ-HNNXBMFYSA-N -1 3 388.428 0.531 20 0 GCADHM CCCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000825356883 609611467 /nfs/dbraw/zinc/61/14/67/609611467.db2.gz OEUZIQWHEFWSBY-CQSZACIVSA-N -1 3 395.427 0.794 20 0 GCADHM CCCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1 ZINC000825356883 609611468 /nfs/dbraw/zinc/61/14/68/609611468.db2.gz OEUZIQWHEFWSBY-CQSZACIVSA-N -1 3 395.427 0.794 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826265329 609612388 /nfs/dbraw/zinc/61/23/88/609612388.db2.gz VGWILBJVSUMHSX-MRXNPFEDSA-N -1 3 394.439 0.992 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826265329 609612389 /nfs/dbraw/zinc/61/23/89/609612389.db2.gz VGWILBJVSUMHSX-MRXNPFEDSA-N -1 3 394.439 0.992 20 0 GCADHM C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825022210 609615616 /nfs/dbraw/zinc/61/56/16/609615616.db2.gz WXNKZRKHIWOCOL-CQDKDKBSSA-N -1 3 385.428 0.839 20 0 GCADHM C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825022210 609615618 /nfs/dbraw/zinc/61/56/18/609615618.db2.gz WXNKZRKHIWOCOL-CQDKDKBSSA-N -1 3 385.428 0.839 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)C(=O)Nc3cccc(C)c3-c3nnn[n-]3)CCO2)no1 ZINC000826325505 609621692 /nfs/dbraw/zinc/62/16/92/609621692.db2.gz ZXNSYRVDSRPPNX-GFCCVEGCSA-N -1 3 398.383 0.405 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)C(=O)Nc3cccc(C)c3-c3nn[n-]n3)CCO2)no1 ZINC000826325505 609621693 /nfs/dbraw/zinc/62/16/93/609621693.db2.gz 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/nfs/dbraw/zinc/45/50/88/1196455088.db2.gz HCWYTAJZQZGJLR-UHFFFAOYSA-N -1 3 385.442 0.427 20 0 GCADHM COCc1noc(CN2CCN(C(=O)c3cc(NC(C)=O)ccc3[O-])CC2)n1 ZINC000444435813 1196474200 /nfs/dbraw/zinc/47/42/00/1196474200.db2.gz KYGWDHUXTRCLBE-UHFFFAOYSA-N -1 3 389.412 0.838 20 0 GCADHM CN(Cc1cc(=O)n2[n-]ccc2n1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001029787626 1196490289 /nfs/dbraw/zinc/49/02/89/1196490289.db2.gz ZRFZCFZYYAVDPO-DLHZGZTKSA-N -1 3 397.479 0.726 20 0 GCADHM CCc1n[n-]c(S(=O)(=O)CC(=O)N(C)Cc2ccc(OC)c(OC)c2)n1 ZINC000444458537 1196492351 /nfs/dbraw/zinc/49/23/51/1196492351.db2.gz UQXZOGPCOQWPRM-UHFFFAOYSA-N -1 3 382.442 0.817 20 0 GCADHM CCc1nnc(S(=O)(=O)CC(=O)N(C)Cc2ccc(OC)c(OC)c2)[n-]1 ZINC000444458537 1196492353 /nfs/dbraw/zinc/49/23/53/1196492353.db2.gz UQXZOGPCOQWPRM-UHFFFAOYSA-N -1 3 382.442 0.817 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H]3CCCCS3(=O)=O)CC2)n[n-]1 ZINC000444669347 1196513527 /nfs/dbraw/zinc/51/35/27/1196513527.db2.gz WOLYKCNAOUEKAJ-LBPRGKRZSA-N -1 3 384.458 0.655 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H]3CCCCS3(=O)=O)CC2)[n-]1 ZINC000444669347 1196513530 /nfs/dbraw/zinc/51/35/30/1196513530.db2.gz WOLYKCNAOUEKAJ-LBPRGKRZSA-N -1 3 384.458 0.655 20 0 GCADHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCN1CCO[C@@H](C)C1 ZINC000523440948 1196525529 /nfs/dbraw/zinc/52/55/29/1196525529.db2.gz IVRWGDYCWRZWJB-AWEZNQCLSA-N -1 3 393.488 0.097 20 0 GCADHM O=C(CSc1n[n-]c(=S)s1)N1CC2(CN(CCn3ccnc3)C2)C1 ZINC001271784417 1196548330 /nfs/dbraw/zinc/54/83/30/1196548330.db2.gz LCKRNQBSHSBVBM-UHFFFAOYSA-N -1 3 382.540 0.960 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@H]3CCC[C@H]3C(=O)NC)CC2)n[n-]1 ZINC000445217015 1196562042 /nfs/dbraw/zinc/56/20/42/1196562042.db2.gz CYBOTYZDRMWBAO-OLZOCXBDSA-N -1 3 392.460 0.785 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@H]3CCC[C@H]3C(=O)NC)CC2)[n-]1 ZINC000445217015 1196562047 /nfs/dbraw/zinc/56/20/47/1196562047.db2.gz CYBOTYZDRMWBAO-OLZOCXBDSA-N -1 3 392.460 0.785 20 0 GCADHM O=C(c1c[nH]c(=O)[n-]c1=O)N1C[C@@H]2COC[C@H](C1)N2CCCC(F)(F)F ZINC001271810021 1196579597 /nfs/dbraw/zinc/57/95/97/1196579597.db2.gz PXZBNTCWDAASIP-AOOOYVTPSA-N -1 3 376.335 0.756 20 0 GCADHM Cc1ncsc1CN1CCO[C@H]2CN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C[C@H]21 ZINC001271811276 1196581700 /nfs/dbraw/zinc/58/17/00/1196581700.db2.gz CQXMUKWJQMZYOS-NEPJUHHUSA-N -1 3 377.426 0.378 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000524386868 1196591273 /nfs/dbraw/zinc/59/12/73/1196591273.db2.gz FRWNYPYHZJYJAS-CQSZACIVSA-N -1 3 398.398 0.788 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000524396863 1196592175 /nfs/dbraw/zinc/59/21/75/1196592175.db2.gz KTJJHWAWKBCWJU-HNNXBMFYSA-N -1 3 381.454 0.877 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000524409131 1196592931 /nfs/dbraw/zinc/59/29/31/1196592931.db2.gz GFEHIVMIJXDGFW-HNNXBMFYSA-N -1 3 378.454 0.713 20 0 GCADHM COc1ccc(N2C[C@H](C(=O)NCCc3c(C)[n-][nH]c3=O)CC2=O)c(OC)c1 ZINC000524410395 1196592952 /nfs/dbraw/zinc/59/29/52/1196592952.db2.gz MPYWSQATOUYUEP-OCCSQVGLSA-N -1 3 388.424 0.685 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000524411859 1196593634 /nfs/dbraw/zinc/59/36/34/1196593634.db2.gz FMHUMKGZJNJHHB-KGLIPLIRSA-N -1 3 386.408 0.439 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000524411860 1196593844 /nfs/dbraw/zinc/59/38/44/1196593844.db2.gz FMHUMKGZJNJHHB-UONOGXRCSA-N -1 3 386.408 0.439 20 0 GCADHM O=C(CN1C(=O)c2ccccc2S1(=O)=O)N[N-]C(=O)c1ccccc1F ZINC000029550122 1196608885 /nfs/dbraw/zinc/60/88/85/1196608885.db2.gz RBGQOLGNHKFGGU-UHFFFAOYSA-N -1 3 377.353 0.431 20 0 GCADHM CN(CCNC(=O)C1CCN(C(=O)c2n[nH]c(=O)[n-]2)CC1)Cc1ccccc1 ZINC000525772210 1196708488 /nfs/dbraw/zinc/70/84/88/1196708488.db2.gz SGAGNRDYMKYIJY-UHFFFAOYSA-N -1 3 386.456 0.611 20 0 GCADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CCN3C(=O)CCC3=O)c2)[n-]1 ZINC000447670327 1196738719 /nfs/dbraw/zinc/73/87/19/1196738719.db2.gz MUCHOZYXLKFKCD-UHFFFAOYSA-N -1 3 399.407 0.804 20 0 GCADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CCN3C(=O)CCC3=O)c2)n[n-]1 ZINC000447670327 1196738723 /nfs/dbraw/zinc/73/87/23/1196738723.db2.gz MUCHOZYXLKFKCD-UHFFFAOYSA-N -1 3 399.407 0.804 20 0 GCADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3CCS(=O)(=O)C3)c2)[n-]1 ZINC000447677104 1196739500 /nfs/dbraw/zinc/73/95/00/1196739500.db2.gz SJLRGBNTGGMWDZ-ZDUSSCGKSA-N -1 3 392.437 0.699 20 0 GCADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H]3CCS(=O)(=O)C3)c2)n[n-]1 ZINC000447677104 1196739504 /nfs/dbraw/zinc/73/95/04/1196739504.db2.gz SJLRGBNTGGMWDZ-ZDUSSCGKSA-N -1 3 392.437 0.699 20 0 GCADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)Cn3cccnc3=O)c2)[n-]1 ZINC000447677968 1196739809 /nfs/dbraw/zinc/73/98/09/1196739809.db2.gz XCOWHLRLNZIDOV-UHFFFAOYSA-N -1 3 382.380 0.522 20 0 GCADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)Cn3cccnc3=O)c2)n[n-]1 ZINC000447677968 1196739812 /nfs/dbraw/zinc/73/98/12/1196739812.db2.gz XCOWHLRLNZIDOV-UHFFFAOYSA-N -1 3 382.380 0.522 20 0 GCADHM COCCNS(=O)(=O)c1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC000526116045 1196741826 /nfs/dbraw/zinc/74/18/26/1196741826.db2.gz KGAXXBPJXSDISC-UHFFFAOYSA-N -1 3 389.437 0.813 20 0 GCADHM CC[C@H](C)[C@H](NC(=O)c1cccc2n[n-]nc21)C(=O)NCCN1CCOCC1 ZINC000526114946 1196741858 /nfs/dbraw/zinc/74/18/58/1196741858.db2.gz QZFXIPXVDDWOFO-BBRMVZONSA-N -1 3 388.472 0.551 20 0 GCADHM CC[C@@H](C)[C@@H](NC(=O)c1cccc2n[n-]nc21)C(=O)NCCN1CCOCC1 ZINC000526114948 1196741925 /nfs/dbraw/zinc/74/19/25/1196741925.db2.gz QZFXIPXVDDWOFO-CZUORRHYSA-N -1 3 388.472 0.551 20 0 GCADHM Cn1ccnc1N1CCC(NC(=O)c2cncc([N-]S(C)(=O)=O)c2)CC1 ZINC000527261740 1196776360 /nfs/dbraw/zinc/77/63/60/1196776360.db2.gz ZXDNFLUPLOASJF-UHFFFAOYSA-N -1 3 378.458 0.585 20 0 GCADHM Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)on1 ZINC000527465955 1196788340 /nfs/dbraw/zinc/78/83/40/1196788340.db2.gz UKXQHRPMTJLWPQ-RYUDHWBXSA-N -1 3 378.408 0.887 20 0 GCADHM O=C(NCc1ncccc1[O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000527481277 1196788948 /nfs/dbraw/zinc/78/89/48/1196788948.db2.gz IIQKJUSEPUGZFX-DOMZBBRYSA-N -1 3 395.412 0.367 20 0 GCADHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000448723376 1196826259 /nfs/dbraw/zinc/82/62/59/1196826259.db2.gz AWRANCBIYUIRNZ-UHFFFAOYSA-N -1 3 385.395 0.962 20 0 GCADHM NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000450163782 1196917399 /nfs/dbraw/zinc/91/73/99/1196917399.db2.gz UQXURQIPSYTHAD-INIZCTEOSA-N -1 3 387.411 0.793 20 0 GCADHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)c(=O)[n-]1 ZINC000120635155 1196922693 /nfs/dbraw/zinc/92/26/93/1196922693.db2.gz ACLJEEOCXUWVIP-INIZCTEOSA-N -1 3 375.473 0.084 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(CO)COc3ccccc3C2)c(C)o1 ZINC000529823290 1196946993 /nfs/dbraw/zinc/94/69/93/1196946993.db2.gz WEPDLOLWFZECNG-KRWDZBQOSA-N -1 3 380.422 0.592 20 0 GCADHM Cc1noc(C23CC(C2)CN3C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000530274963 1196974104 /nfs/dbraw/zinc/97/41/04/1196974104.db2.gz ROHGLVGOFXUSTC-UHFFFAOYSA-N -1 3 381.414 0.409 20 0 GCADHM COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)OC ZINC000530374250 1196983134 /nfs/dbraw/zinc/98/31/34/1196983134.db2.gz OWENDBLTFUFYCF-NSHDSACASA-N -1 3 391.373 0.385 20 0 GCADHM COCC1(S(=O)(=O)[N-][C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000451271096 1196984130 /nfs/dbraw/zinc/98/41/30/1196984130.db2.gz AKEWWSBQYMHESN-HNNXBMFYSA-N -1 3 384.454 0.908 20 0 GCADHM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC000530538526 1196994085 /nfs/dbraw/zinc/99/40/85/1196994085.db2.gz XDYKTIASBODPOW-ZIAGYGMSSA-N -1 3 391.417 0.711 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000530979982 1197034633 /nfs/dbraw/zinc/03/46/33/1197034633.db2.gz KTWSUOAETUYENW-XHDPSFHLSA-N -1 3 380.470 0.669 20 0 GCADHM C[C@@H](NC(=O)c1ncccc1S(C)(=O)=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614816293 1197286970 /nfs/dbraw/zinc/28/69/70/1197286970.db2.gz DMMDSDNBIJXPOL-WDEREUQCSA-N -1 3 392.437 0.979 20 0 GCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ncccc1S(C)(=O)=O ZINC000614816291 1197287203 /nfs/dbraw/zinc/28/72/03/1197287203.db2.gz DMMDSDNBIJXPOL-MNOVXSKESA-N -1 3 392.437 0.979 20 0 GCADHM C[C@@H](NC(=O)CCn1cnc2c1ncnc2N)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821136 1197298784 /nfs/dbraw/zinc/29/87/84/1197298784.db2.gz GAJMNGRAPXQLQW-WDEREUQCSA-N -1 3 398.427 0.679 20 0 GCADHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H](C)[C@H](O)C(F)(F)F)c1 ZINC001670827583 1197299143 /nfs/dbraw/zinc/29/91/43/1197299143.db2.gz CALBFZVSEKKSIN-CPCISQLKSA-N -1 3 399.343 0.850 20 0 GCADHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H](C)[C@@H](O)C(F)(F)F)c1 ZINC001670827585 1197299343 /nfs/dbraw/zinc/29/93/43/1197299343.db2.gz CALBFZVSEKKSIN-RDDDGLTNSA-N -1 3 399.343 0.850 20 0 GCADHM COCCn1cc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])ccc1=O ZINC000614825837 1197304552 /nfs/dbraw/zinc/30/45/52/1197304552.db2.gz ZNTAUGDRBVDKNP-QWHCGFSZSA-N -1 3 388.424 0.988 20 0 GCADHM Cc1c(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])nnn1-c1ccn(C)n1 ZINC000614826524 1197310941 /nfs/dbraw/zinc/31/09/41/1197310941.db2.gz TXNIKGZHHTXZHW-GHMZBOCLSA-N -1 3 398.427 0.803 20 0 GCADHM C[C@H](NC(=O)CCCCCS(N)(=O)=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827910 1197362120 /nfs/dbraw/zinc/36/21/20/1197362120.db2.gz UBXSZOXUEBNSAX-RYUDHWBXSA-N -1 3 386.474 0.715 20 0 GCADHM C[C@H](NC(=O)[C@@](C)(O)Cn1ccccc1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827885 1197362281 /nfs/dbraw/zinc/36/22/81/1197362281.db2.gz TYOUQBHWCLWRHR-JMERFSKESA-N -1 3 388.424 0.479 20 0 GCADHM CCc1nc(C[N-]S(=O)(=O)c2cnn3cc(Br)cnc23)n[nH]1 ZINC001211965430 1197390877 /nfs/dbraw/zinc/39/08/77/1197390877.db2.gz DAUBMKXBNPDMCZ-UHFFFAOYSA-N -1 3 386.235 0.651 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(Cc3cc(=O)[n-]c(C4CC4)n3)CC2)cn1C ZINC000459375515 1197392856 /nfs/dbraw/zinc/39/28/56/1197392856.db2.gz WDDXRXGBHDJFFA-UHFFFAOYSA-N -1 3 392.485 0.608 20 0 GCADHM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000194355870 1197398824 /nfs/dbraw/zinc/39/88/24/1197398824.db2.gz BDELMCGTTIOBOX-STQMWFEESA-N -1 3 392.422 0.455 20 0 GCADHM Cc1cc(C(=O)N(CCN(C)C)CC(=O)[O-])cc(S(=O)(=O)N(C)C)c1C ZINC000532865981 1197418259 /nfs/dbraw/zinc/41/82/59/1197418259.db2.gz QNYHJRFAAVZTRU-UHFFFAOYSA-N -1 3 385.486 0.642 20 0 GCADHM Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(CCN(C)C)CC(=O)[O-])c(C)c1 ZINC000532866845 1197418332 /nfs/dbraw/zinc/41/83/32/1197418332.db2.gz YLPXDXMOYPNZBT-UHFFFAOYSA-N -1 3 399.513 0.755 20 0 GCADHM COC(=O)c1sc2[n-]c(CN3CCO[C@@H](CNC(C)=O)C3)nc(=O)c2c1C ZINC000533433776 1197451541 /nfs/dbraw/zinc/45/15/41/1197451541.db2.gz BDFHZTNYIVSYBA-NSHDSACASA-N -1 3 394.453 0.417 20 0 GCADHM CN(CC1CCN(C(=O)c2cnc[n-]c2=O)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000988558256 1197451611 /nfs/dbraw/zinc/45/16/11/1197451611.db2.gz FLRDLYMYWNAFCT-VUBIOHBQSA-N -1 3 386.452 0.916 20 0 GCADHM CS(=O)(=O)[C@H]1C[C@H](NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC001687410454 1197467928 /nfs/dbraw/zinc/46/79/28/1197467928.db2.gz PZWRGFFUGWACFT-CTYIDZIISA-N -1 3 381.454 0.435 20 0 GCADHM COc1cc(F)c(-c2noc([C@H](CCC(=O)[O-])NC(=O)CN)n2)cc1OC ZINC001212016879 1197474988 /nfs/dbraw/zinc/47/49/88/1197474988.db2.gz MTLHYFMHMHDJKS-JTQLQIEISA-N -1 3 382.348 0.874 20 0 GCADHM CS(=O)(=O)c1cccc(-c2noc([C@H](CCC(=O)[O-])NC(=O)CN)n2)c1 ZINC001212016666 1197475012 /nfs/dbraw/zinc/47/50/12/1197475012.db2.gz BMJXLKIGYKXBGV-NSHDSACASA-N -1 3 382.398 0.121 20 0 GCADHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@@H]1C[C@@H](C)OC1=O ZINC001212030797 1197476817 /nfs/dbraw/zinc/47/68/17/1197476817.db2.gz MTXRBDZUTXGPCK-HZGVNTEJSA-N -1 3 389.231 0.783 20 0 GCADHM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000614914477 1197487513 /nfs/dbraw/zinc/48/75/13/1197487513.db2.gz MODOZTFKTJTDPO-INIZCTEOSA-N -1 3 392.481 0.920 20 0 GCADHM COC(=O)c1sc2[n-]c(CN3CCN(CCO)C(C)(C)C3)nc(=O)c2c1C ZINC000614920935 1197487637 /nfs/dbraw/zinc/48/76/37/1197487637.db2.gz ZTDWPJFIOYECOB-UHFFFAOYSA-N -1 3 394.497 0.968 20 0 GCADHM O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614920983 1197487858 /nfs/dbraw/zinc/48/78/58/1197487858.db2.gz KPNWIGYGJKKXJJ-UHFFFAOYSA-N -1 3 381.392 0.396 20 0 GCADHM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCCc2cc(=O)[nH][n-]2)c1 ZINC000614921513 1197487936 /nfs/dbraw/zinc/48/79/36/1197487936.db2.gz BRPBGXCWNTYJBT-UHFFFAOYSA-N -1 3 380.470 0.744 20 0 GCADHM COc1cc(OC)cc(N2C[C@H](C(=O)NCCCc3cc(=O)[nH][n-]3)CC2=O)c1 ZINC000614922665 1197488404 /nfs/dbraw/zinc/48/84/04/1197488404.db2.gz HQLHQQUNWLSWCN-GFCCVEGCSA-N -1 3 388.424 0.829 20 0 GCADHM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCCc1cc(=O)[nH][n-]1)C2=O ZINC000614924065 1197488581 /nfs/dbraw/zinc/48/85/81/1197488581.db2.gz YTOWQZMXFNSWIM-BLVKFPJESA-N -1 3 391.472 0.896 20 0 GCADHM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NCCCc1cc(=O)[nH][n-]1)C2=O ZINC000614922949 1197488601 /nfs/dbraw/zinc/48/86/01/1197488601.db2.gz KYEYXSJVTNWYLT-GOSISDBHSA-N -1 3 377.445 0.650 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CC3(CN(C(=O)c4cc([O-])ccc4Cl)C3)C2)c1 ZINC001272114946 1197520351 /nfs/dbraw/zinc/52/03/51/1197520351.db2.gz MWHNLOHQYDRJEE-UHFFFAOYSA-N -1 3 396.856 0.926 20 0 GCADHM C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262209391 1197528576 /nfs/dbraw/zinc/52/85/76/1197528576.db2.gz TXNOJRKVZAVVLY-BWACUDIHSA-N -1 3 381.454 0.848 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262209393 1197528714 /nfs/dbraw/zinc/52/87/14/1197528714.db2.gz TXNOJRKVZAVVLY-NVGCLXPQSA-N -1 3 381.454 0.848 20 0 GCADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(CCN1CCOCC1)[C@H]1CCSC1 ZINC000615099120 1197535553 /nfs/dbraw/zinc/53/55/53/1197535553.db2.gz VUDFMZDIVNUNSN-AWEZNQCLSA-N -1 3 389.477 0.850 20 0 GCADHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(CCN1CCOCC1)[C@@H]1CCSC1 ZINC000615099121 1197535683 /nfs/dbraw/zinc/53/56/83/1197535683.db2.gz VUDFMZDIVNUNSN-CQSZACIVSA-N -1 3 389.477 0.850 20 0 GCADHM O=C(Nc1cn[nH]c1)[C@H]1CCSC12CN(C(=O)c1c[nH]c(=O)[n-]c1=O)C2 ZINC001272159922 1197545584 /nfs/dbraw/zinc/54/55/84/1197545584.db2.gz CMFQMUPBCRXJGJ-SNVBAGLBSA-N -1 3 376.398 0.197 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000989165031 1197578703 /nfs/dbraw/zinc/57/87/03/1197578703.db2.gz LCKKLNGKDVZZHN-JSPNIXQWSA-N -1 3 397.431 0.857 20 0 GCADHM CN(c1c(F)cccc1C(N)=O)S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000542724258 1199018155 /nfs/dbraw/zinc/01/81/55/1199018155.db2.gz OHNSVWYHDJGCQM-UHFFFAOYSA-N -1 3 377.353 0.633 20 0 GCADHM CCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)ccc2c1=O ZINC000109875147 1199112246 /nfs/dbraw/zinc/11/22/46/1199112246.db2.gz SRXQSQSUCZQPLB-UHFFFAOYSA-N -1 3 391.391 0.820 20 0 GCADHM CCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)ccc2c1=O ZINC000109875147 1199112253 /nfs/dbraw/zinc/11/22/53/1199112253.db2.gz SRXQSQSUCZQPLB-UHFFFAOYSA-N -1 3 391.391 0.820 20 0 GCADHM Cc1nc(C)c(CC(=O)N[C@@H](C)CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(=O)[n-]1 ZINC001078667120 1199135887 /nfs/dbraw/zinc/13/58/87/1199135887.db2.gz RYSUYMHIEJQVHJ-YWSWHFDRSA-N -1 3 376.457 0.920 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001002746820 1199255255 /nfs/dbraw/zinc/25/52/55/1199255255.db2.gz ARNPPQHQBKJPMW-HLUFSKSISA-N -1 3 386.452 0.977 20 0 GCADHM COCCc1ccc(OC[C@@H](O)C[N-]S(=O)(=O)c2ccc(C)nn2)cc1 ZINC001212482256 1199357085 /nfs/dbraw/zinc/35/70/85/1199357085.db2.gz BKUMAURULYBWNV-HNNXBMFYSA-N -1 3 381.454 0.692 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccn2nnnc2c1 ZINC001128383132 1199403606 /nfs/dbraw/zinc/40/36/06/1199403606.db2.gz BLLSZQFPTRFFST-UHFFFAOYSA-N -1 3 382.352 0.111 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C2 ZINC001003115185 1199420679 /nfs/dbraw/zinc/42/06/79/1199420679.db2.gz DINRSFAPCWOWOL-FZGMBXNASA-N -1 3 387.440 0.267 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn3c(n1)CCC3)C2 ZINC001003140545 1199426847 /nfs/dbraw/zinc/42/68/47/1199426847.db2.gz KXJLKSODTNVRHY-BZPMIXESSA-N -1 3 382.424 0.809 20 0 GCADHM Cn1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(=O)[n-]c(C4CC4)n2)C3)n1 ZINC001003461810 1199551146 /nfs/dbraw/zinc/55/11/46/1199551146.db2.gz GCGZLNBLJFMLPA-KYOSRNDESA-N -1 3 382.424 0.969 20 0 GCADHM O=C(NCC1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001003469319 1199558078 /nfs/dbraw/zinc/55/80/78/1199558078.db2.gz FVTRNTCARBGOHM-FITYOTRXSA-N -1 3 395.415 0.182 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn2ncccc12)c1cnc[n-]c1=O ZINC001003590482 1199597719 /nfs/dbraw/zinc/59/77/19/1199597719.db2.gz BYLOMFBJTYJRMX-YVLXSGLVSA-N -1 3 379.380 0.400 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCc2nc[nH]c21)c1cnc[n-]c1=O ZINC001003593725 1199598736 /nfs/dbraw/zinc/59/87/36/1199598736.db2.gz KXLLJJZJDQGFML-BVIHXZOGSA-N -1 3 382.424 0.887 20 0 GCADHM O=C(NCc1ccc([O-])c(F)c1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000265840983 1199602630 /nfs/dbraw/zinc/60/26/30/1199602630.db2.gz UHVHEOBBHYXDCN-UHFFFAOYSA-N -1 3 378.404 0.508 20 0 GCADHM Cc1ncc(CNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(=O)[n-]1 ZINC000543299059 1199644222 /nfs/dbraw/zinc/64/42/22/1199644222.db2.gz ACTNEPBZPUVSJQ-SFHVURJKSA-N -1 3 384.396 0.545 20 0 GCADHM c1cn2c(n1)C[C@H](N=c1cc(N[C@@H]3CCn4ccnc4C3)n3[n-]cnc3n1)CC2 ZINC000480197715 1199682330 /nfs/dbraw/zinc/68/23/30/1199682330.db2.gz NZHBPMHFYVZXSF-ZIAGYGMSSA-N -1 3 390.455 0.793 20 0 GCADHM Cc1nn(C)c(Cl)c1CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001003924975 1199709129 /nfs/dbraw/zinc/70/91/29/1199709129.db2.gz FHGFBQNAUOACTE-XWIASGKRSA-N -1 3 377.836 0.604 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc2c(c1)OCC(=O)N2)c1cn[n-]n1 ZINC001003935241 1199713559 /nfs/dbraw/zinc/71/35/59/1199713559.db2.gz HONQSVONXOZDOQ-QKCSRTOESA-N -1 3 382.380 0.311 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn(-c2cccnc2)c1)c1cn[n-]n1 ZINC001003933799 1199713793 /nfs/dbraw/zinc/71/37/93/1199713793.db2.gz HGDZJNBIKUMGJI-XPKDYRNWSA-N -1 3 378.396 0.561 20 0 GCADHM O=C(CN1C(=O)Cc2ccccc21)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001003934933 1199713809 /nfs/dbraw/zinc/71/38/09/1199713809.db2.gz CEGSKDMWUMQXAH-IOASZLSFSA-N -1 3 380.408 0.256 20 0 GCADHM Cn1cc(-c2oncc2C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)cn1 ZINC001003934857 1199713935 /nfs/dbraw/zinc/71/39/35/1199713935.db2.gz SBQWMUAIEXBETM-QKCSRTOESA-N -1 3 382.384 0.369 20 0 GCADHM Cc1cc(C)n2nc(C(=O)N3[C@@H]4CC[C@H]3[C@H](NC(=O)c3cn[n-]n3)C4)nc2n1 ZINC001003935015 1199714196 /nfs/dbraw/zinc/71/41/96/1199714196.db2.gz UYRNNUQHFUJPIY-WZRBSPASSA-N -1 3 381.400 0.035 20 0 GCADHM Cn1c(=O)[nH]c2ccc(C(=O)N3[C@@H]4CC[C@H]3[C@H](NC(=O)c3cn[n-]n3)C4)cc21 ZINC001003936090 1199714463 /nfs/dbraw/zinc/71/44/63/1199714463.db2.gz KWBQMNRHGBXELY-QKCSRTOESA-N -1 3 381.396 0.573 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-n2cncn2)cc1)c1cn[n-]n1 ZINC001003935842 1199714536 /nfs/dbraw/zinc/71/45/36/1199714536.db2.gz NPBIMVWJXLWURA-FMKPAKJESA-N -1 3 378.396 0.561 20 0 GCADHM O=C(C[C@H]1C(=O)Nc2ccccc21)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001003937533 1199714624 /nfs/dbraw/zinc/71/46/24/1199714624.db2.gz UMADEUJWIMOCFG-AEKOTVAKSA-N -1 3 380.408 0.792 20 0 GCADHM Cc1nc2ccnn2c(C)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001003936154 1199714929 /nfs/dbraw/zinc/71/49/29/1199714929.db2.gz PNMIPKVJJXMXCI-BZPMIXESSA-N -1 3 380.412 0.640 20 0 GCADHM Cc1nn(C)c2ncc(C(=O)N3[C@@H]4CC[C@H]3[C@H](NC(=O)c3cn[n-]n3)C4)cc12 ZINC001003936949 1199714946 /nfs/dbraw/zinc/71/49/46/1199714946.db2.gz OHRDYVKOIWSQNO-KYOSRNDESA-N -1 3 380.412 0.570 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cn[n-]n1 ZINC001003937480 1199715090 /nfs/dbraw/zinc/71/50/90/1199715090.db2.gz SKYSGFXTAAGDFY-AEKOTVAKSA-N -1 3 380.408 0.792 20 0 GCADHM 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3 375.320 0.175 20 0 GCADHM CC(C)(C)OC(=O)N=c1ccn(C(=O)Cn2cc(F)c(=O)[n-]c2=O)cc1N ZINC001183654412 1205896759 /nfs/dbraw/zinc/89/67/59/1205896759.db2.gz MOOVTSXIVYEYIA-UHFFFAOYSA-N -1 3 379.348 0.648 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2C(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183654814 1205896893 /nfs/dbraw/zinc/89/68/93/1205896893.db2.gz OGIKTTUGZXNHAY-RYUDHWBXSA-N -1 3 382.392 0.698 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](NC(=O)Cn2cc(F)c(=O)[n-]c2=O)C1 ZINC001183665903 1205897147 /nfs/dbraw/zinc/89/71/47/1205897147.db2.gz MKWHNNACWLWAGY-MWLCHTKSSA-N -1 3 388.371 0.552 20 0 GCADHM O=C(Cn1cc(F)c(=O)[n-]c1=O)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001183657214 1205898066 /nfs/dbraw/zinc/89/80/66/1205898066.db2.gz MRLLIRPJPALXBL-HUUCEWRRSA-N -1 3 386.383 0.885 20 0 GCADHM CC(C)Oc1ncnc2c1CCN(C(=O)Cn1cc(F)c(=O)[n-]c1=O)CC2 ZINC001183657219 1205898120 /nfs/dbraw/zinc/89/81/20/1205898120.db2.gz MTUFOPHQFMHLIH-UHFFFAOYSA-N -1 3 377.376 0.293 20 0 GCADHM O=C(Cn1cc(F)c(=O)[n-]c1=O)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001183657238 1205898131 /nfs/dbraw/zinc/89/81/31/1205898131.db2.gz NLZCMVJHZQGMMD-ACJLOTCBSA-N -1 3 390.371 0.322 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183661974 1205898163 /nfs/dbraw/zinc/89/81/63/1205898163.db2.gz GAYOMZDPGDDXDT-UWVGGRQHSA-N -1 3 388.371 0.552 20 0 GCADHM C[C@@H]1C[C@@H](CNC(=O)Cn2cc(F)c(=O)[n-]c2=O)CN1C(=O)OC(C)(C)C ZINC001183661618 1205898231 /nfs/dbraw/zinc/89/82/31/1205898231.db2.gz CIMYFKALGHCOMQ-MNOVXSKESA-N -1 3 384.408 0.850 20 0 GCADHM O=C(Cn1cc(F)c(=O)[n-]c1=O)N1CCC(N2C(=O)Cc3ccccc32)CC1 ZINC001183658999 1205898255 /nfs/dbraw/zinc/89/82/55/1205898255.db2.gz ZIVZFPXYBYQYPW-UHFFFAOYSA-N -1 3 386.383 0.668 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)Cn2cc(F)c(=O)[n-]c2=O)[C@H]1c1ccccc1 ZINC001183659770 1205898339 /nfs/dbraw/zinc/89/83/39/1205898339.db2.gz FTTYFOIXOWQIBW-WFASDCNBSA-N -1 3 375.356 0.851 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc(F)c(=O)[n-]c3=O)C[C@H]12 ZINC001183660487 1205898393 /nfs/dbraw/zinc/89/83/93/1205898393.db2.gz XIJBILHWNINAOZ-NTZNESFSSA-N -1 3 396.419 0.850 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cc(F)c(=O)[n-]c2=O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001183660016 1205898395 /nfs/dbraw/zinc/89/83/95/1205898395.db2.gz MHIAOLUAXUOVQP-QWRGUYRKSA-N -1 3 384.408 0.944 20 0 GCADHM COc1ccc2c(c1)NC(=O)C[C@@H]2CNC(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183663343 1205898487 /nfs/dbraw/zinc/89/84/87/1205898487.db2.gz TZBWXEIRGGHFKN-SECBINFHSA-N -1 3 376.344 0.339 20 0 GCADHM Cn1ccnc1[C@@](O)(CC(=O)NCc1cc(=O)[n-]c(=S)[nH]1)C(F)(F)F ZINC001183878481 1205901757 /nfs/dbraw/zinc/90/17/57/1205901757.db2.gz JZMMQEOZVFQGRL-LBPRGKRZSA-N -1 3 377.348 0.661 20 0 GCADHM CNC(=O)NC[C@@H]1COCCN1C(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001184166431 1205906278 /nfs/dbraw/zinc/90/62/78/1205906278.db2.gz JMMBTSVKVFRNJM-SECBINFHSA-N -1 3 380.351 0.576 20 0 GCADHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001184416689 1205909864 /nfs/dbraw/zinc/90/98/64/1205909864.db2.gz QKDYJCQIMBPLIQ-LBPRGKRZSA-N -1 3 397.439 0.312 20 0 GCADHM CCOC(=O)c1ncc(NC(=O)[C@@H](O)[C@H](NC(C)=O)C(=O)c2ccccc2)[n-]1 ZINC001184417102 1205909868 /nfs/dbraw/zinc/90/98/68/1205909868.db2.gz JHODHKCPTUCDNE-HIFRSBDPSA-N -1 3 388.380 0.273 20 0 GCADHM CCOC(=O)c1nc(NC(=O)[C@@H](O)[C@H](NC(C)=O)C(=O)c2ccccc2)c[n-]1 ZINC001184417102 1205909870 /nfs/dbraw/zinc/90/98/70/1205909870.db2.gz JHODHKCPTUCDNE-HIFRSBDPSA-N -1 3 388.380 0.273 20 0 GCADHM NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(N)=O ZINC001184825918 1205913969 /nfs/dbraw/zinc/91/39/69/1205913969.db2.gz KXPCNYFBZBUAJU-ZETCQYMHSA-N -1 3 384.639 0.110 20 0 GCADHM CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)c3[n-]c(=O)ccc3Cl)C2)C1 ZINC001184803044 1205913616 /nfs/dbraw/zinc/91/36/16/1205913616.db2.gz OWGKHRHQMTUBLH-SFHVURJKSA-N -1 3 396.875 0.167 20 0 GCADHM COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)c2[n-]c(=O)ccc2Cl)C1 ZINC001184802685 1205913763 /nfs/dbraw/zinc/91/37/63/1205913763.db2.gz KXEOTLITWUWEGB-NSHDSACASA-N -1 3 393.831 0.098 20 0 GCADHM CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)c1[n-]c(=O)ccc1Cl ZINC001184801933 1205913839 /nfs/dbraw/zinc/91/38/39/1205913839.db2.gz BPUFPNIBTQQOKQ-UHFFFAOYSA-N -1 3 386.817 0.103 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H]([N-]S(=O)(=O)c2cccnc2Cl)[C@@H](O)C1 ZINC001184884426 1205914151 /nfs/dbraw/zinc/91/41/51/1205914151.db2.gz GYYNWOFWXOGEES-ZJUUUORDSA-N -1 3 377.850 0.994 20 0 GCADHM CC(C)(C)OC(=O)N1CC(O)(C[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC001184885134 1205914181 /nfs/dbraw/zinc/91/41/81/1205914181.db2.gz SDYGNCWDWDNNIC-UHFFFAOYSA-N -1 3 377.850 0.995 20 0 GCADHM COCCOCCOCCOCC[N-]S(=O)(=O)c1cccnc1Cl ZINC001184899785 1205914487 /nfs/dbraw/zinc/91/44/87/1205914487.db2.gz QFGKKGHRLBAXJH-UHFFFAOYSA-N -1 3 382.866 0.710 20 0 GCADHM NC(=O)[C@H](Cc1ccccc1)NC(=O)C[N-]S(=O)(=O)c1cccnc1Cl ZINC001184914909 1205914542 /nfs/dbraw/zinc/91/45/42/1205914542.db2.gz YOPPAODEJYUDJQ-LBPRGKRZSA-N -1 3 396.856 0.226 20 0 GCADHM O=S(=O)([N-]Cc1cc(OC2CCOCC2)ncn1)c1cnc(Cl)nc1 ZINC001185075674 1205916667 /nfs/dbraw/zinc/91/66/67/1205916667.db2.gz MMBYFPRKAKSVID-UHFFFAOYSA-N -1 3 385.833 0.956 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](CO)[C@H]([N-]S(=O)(=O)c2cnc(Cl)nc2)C1 ZINC001185070138 1205916769 /nfs/dbraw/zinc/91/67/69/1205916769.db2.gz VRKKGSHQQPCWAI-GXSJLCMTSA-N -1 3 392.865 0.636 20 0 GCADHM O=C1CO[C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CN1 ZINC001186352629 1205938242 /nfs/dbraw/zinc/93/82/42/1205938242.db2.gz LIMBDZAEGMCUPD-LURJTMIESA-N -1 3 384.639 0.291 20 0 GCADHM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC001185573666 1205924407 /nfs/dbraw/zinc/92/44/07/1205924407.db2.gz OXLSZPYDWSJPMZ-GFCCVEGCSA-N -1 3 379.398 0.010 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC(N2CC(F)(F)C2)CC1 ZINC001185587979 1205924912 /nfs/dbraw/zinc/92/49/12/1205924912.db2.gz DTZWJKJMLSTEES-UHFFFAOYSA-N -1 3 384.412 0.971 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CC(F)(F)C2)CC1 ZINC001185587979 1205924914 /nfs/dbraw/zinc/92/49/14/1205924914.db2.gz DTZWJKJMLSTEES-UHFFFAOYSA-N -1 3 384.412 0.971 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1c1ccccc1 ZINC001185589457 1205925051 /nfs/dbraw/zinc/92/50/51/1205925051.db2.gz YHIOXUKKEQIFEZ-UHFFFAOYSA-N -1 3 384.421 0.904 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1c1ccccc1 ZINC001185589457 1205925052 /nfs/dbraw/zinc/92/50/52/1205925052.db2.gz YHIOXUKKEQIFEZ-UHFFFAOYSA-N -1 3 384.421 0.904 20 0 GCADHM CCNC(=O)COC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185591917 1205925155 /nfs/dbraw/zinc/92/51/55/1205925155.db2.gz GINVTFQEHZGLOS-UHFFFAOYSA-N -1 3 394.457 0.173 20 0 GCADHM CCNC(=O)COC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185591917 1205925156 /nfs/dbraw/zinc/92/51/56/1205925156.db2.gz GINVTFQEHZGLOS-UHFFFAOYSA-N -1 3 394.457 0.173 20 0 GCADHM O=C(N=c1nc2[nH][n-]cc-2c(Cl)n1)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185590197 1205925276 /nfs/dbraw/zinc/92/52/76/1205925276.db2.gz KYDJLUSRGPIQIO-UHFFFAOYSA-N -1 3 386.803 0.353 20 0 GCADHM COC(=O)CC[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185597535 1205925313 /nfs/dbraw/zinc/92/53/13/1205925313.db2.gz OEVBQHKPJLZBQI-LBPRGKRZSA-N -1 3 381.414 0.209 20 0 GCADHM COC(=O)CC[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185597535 1205925315 /nfs/dbraw/zinc/92/53/15/1205925315.db2.gz OEVBQHKPJLZBQI-LBPRGKRZSA-N -1 3 381.414 0.209 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](Oc2cnccn2)C1 ZINC001185592812 1205925381 /nfs/dbraw/zinc/92/53/81/1205925381.db2.gz MLOWVEXGCRRMRC-CYBMUJFWSA-N -1 3 387.425 0.889 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](Oc2cnccn2)C1 ZINC001185592812 1205925382 /nfs/dbraw/zinc/92/53/82/1205925382.db2.gz MLOWVEXGCRRMRC-CYBMUJFWSA-N -1 3 387.425 0.889 20 0 GCADHM CN(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185628979 1205925974 /nfs/dbraw/zinc/92/59/74/1205925974.db2.gz YTDYGYLZKYGHLN-UHFFFAOYSA-N -1 3 379.446 0.291 20 0 GCADHM CN(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185628979 1205925975 /nfs/dbraw/zinc/92/59/75/1205925975.db2.gz YTDYGYLZKYGHLN-UHFFFAOYSA-N -1 3 379.446 0.291 20 0 GCADHM COC[C@@H]1Cn2nccc2CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185583974 1205926119 /nfs/dbraw/zinc/92/61/19/1205926119.db2.gz PZVLVDYETNVKDN-LBPRGKRZSA-N -1 3 389.441 0.530 20 0 GCADHM COC[C@@H]1Cn2nccc2CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185583974 1205926121 /nfs/dbraw/zinc/92/61/21/1205926121.db2.gz PZVLVDYETNVKDN-LBPRGKRZSA-N -1 3 389.441 0.530 20 0 GCADHM NC(=O)c1ccccc1OCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185627718 1205926137 /nfs/dbraw/zinc/92/61/37/1205926137.db2.gz FCRLLLBJQIMMML-UHFFFAOYSA-N -1 3 388.409 0.323 20 0 GCADHM NC(=O)c1ccccc1OCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185627718 1205926138 /nfs/dbraw/zinc/92/61/38/1205926138.db2.gz FCRLLLBJQIMMML-UHFFFAOYSA-N -1 3 388.409 0.323 20 0 GCADHM CCOC(=O)[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185631751 1205926221 /nfs/dbraw/zinc/92/62/21/1205926221.db2.gz LQJQHKZJNOHVCR-OLZOCXBDSA-N -1 3 381.414 0.113 20 0 GCADHM CCOC(=O)[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185631751 1205926222 /nfs/dbraw/zinc/92/62/22/1205926222.db2.gz LQJQHKZJNOHVCR-OLZOCXBDSA-N -1 3 381.414 0.113 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(Cc2ccccn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185632141 1205926377 /nfs/dbraw/zinc/92/63/77/1205926377.db2.gz VLTGLNNEHFYHPN-OAHLLOKOSA-N -1 3 385.453 0.815 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(Cc2ccccn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185632141 1205926380 /nfs/dbraw/zinc/92/63/80/1205926380.db2.gz VLTGLNNEHFYHPN-OAHLLOKOSA-N -1 3 385.453 0.815 20 0 GCADHM COC(=O)[C@@H](Cc1cccnc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185643169 1205926526 /nfs/dbraw/zinc/92/65/26/1205926526.db2.gz ZEGBZVBMKKNDFM-CQSZACIVSA-N -1 3 388.409 0.324 20 0 GCADHM COC(=O)[C@@H](Cc1cccnc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185643169 1205926527 /nfs/dbraw/zinc/92/65/27/1205926527.db2.gz ZEGBZVBMKKNDFM-CQSZACIVSA-N -1 3 388.409 0.324 20 0 GCADHM CN(CC(=O)N1CCN(CC2CCCCC2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185654184 1205926558 /nfs/dbraw/zinc/92/65/58/1205926558.db2.gz NQTHGXQDHIVIAS-UHFFFAOYSA-N -1 3 375.410 0.260 20 0 GCADHM COC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC001185623022 1205927133 /nfs/dbraw/zinc/92/71/33/1205927133.db2.gz VYUIGMHWXCLZMW-CYBMUJFWSA-N -1 3 381.414 0.113 20 0 GCADHM COC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC001185623022 1205927134 /nfs/dbraw/zinc/92/71/34/1205927134.db2.gz VYUIGMHWXCLZMW-CYBMUJFWSA-N -1 3 381.414 0.113 20 0 GCADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1ccc(OCC(N)=O)cc1 ZINC001186041191 1205933944 /nfs/dbraw/zinc/93/39/44/1205933944.db2.gz IXJNQQBWIUBVJD-UHFFFAOYSA-N -1 3 375.337 0.704 20 0 GCADHM O=C1C[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C(=O)N1 ZINC001186357458 1205938506 /nfs/dbraw/zinc/93/85/06/1205938506.db2.gz ZWFRNYJMHOFGSY-YFKPBYRVSA-N -1 3 382.623 0.439 20 0 GCADHM COc1ccc(-c2nc(C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)n[nH]2)cc1 ZINC001186634647 1205944778 /nfs/dbraw/zinc/94/47/78/1205944778.db2.gz XWYZXMBRGLIINK-DEOSSOPVSA-N -1 3 388.475 0.389 20 0 GCADHM CS(=O)(=O)c1ccc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(S(C)(=O)=O)c1 ZINC001186906329 1205951234 /nfs/dbraw/zinc/95/12/34/1205951234.db2.gz RUAXQLCYHPNSKL-JTQLQIEISA-N -1 3 385.467 0.916 20 0 GCADHM Cn1c(=O)cc(NC(=O)c2ccccc2-c2nnn[n-]2)n(-c2ccccc2)c1=O ZINC001187007354 1205953520 /nfs/dbraw/zinc/95/35/20/1205953520.db2.gz ADRUSUFXBUQWRD-UHFFFAOYSA-N -1 3 389.375 0.969 20 0 GCADHM Cn1c(=O)cc(NC(=O)c2ccccc2-c2nn[n-]n2)n(-c2ccccc2)c1=O ZINC001187007354 1205953522 /nfs/dbraw/zinc/95/35/22/1205953522.db2.gz ADRUSUFXBUQWRD-UHFFFAOYSA-N -1 3 389.375 0.969 20 0 GCADHM CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-c3nnn[n-]3)C[C@@H]21 ZINC001186992412 1205953996 /nfs/dbraw/zinc/95/39/96/1205953996.db2.gz ORHBIUOXKMYJOY-VBNZEHGJSA-N -1 3 399.455 0.615 20 0 GCADHM CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)c3ccccc3-c3nn[n-]n3)C[C@@H]21 ZINC001186992412 1205953998 /nfs/dbraw/zinc/95/39/98/1205953998.db2.gz ORHBIUOXKMYJOY-VBNZEHGJSA-N -1 3 399.455 0.615 20 0 GCADHM CS(=O)(=O)N1C[C@H]2CCCN(C(=O)c3ccccc3-c3nnn[n-]3)[C@H]2C1 ZINC001186992092 1205954048 /nfs/dbraw/zinc/95/40/48/1205954048.db2.gz MHASLWQKKRHPCM-RISCZKNCSA-N -1 3 376.442 0.363 20 0 GCADHM CS(=O)(=O)N1C[C@H]2CCCN(C(=O)c3ccccc3-c3nn[n-]n3)[C@H]2C1 ZINC001186992092 1205954049 /nfs/dbraw/zinc/95/40/49/1205954049.db2.gz MHASLWQKKRHPCM-RISCZKNCSA-N -1 3 376.442 0.363 20 0 GCADHM CNC(=O)c1ccc(CS(=O)(=O)[N-][C@H]2CCN(c3cnn(C)c3)C2=O)cc1 ZINC001187187986 1205956373 /nfs/dbraw/zinc/95/63/73/1205956373.db2.gz KFQBXANALRDECE-HNNXBMFYSA-N -1 3 391.453 0.005 20 0 GCADHM Cn1cnnc1S(=O)(=O)[N-]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001187164880 1205957281 /nfs/dbraw/zinc/95/72/81/1205957281.db2.gz VPKFZWGBLYGYFR-UHFFFAOYSA-N -1 3 399.498 0.088 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](O)COc1ccc(F)cc1 ZINC001187325002 1205959575 /nfs/dbraw/zinc/95/95/75/1205959575.db2.gz GCIJZMMKRKWKJA-NSHDSACASA-N -1 3 387.389 0.362 20 0 GCADHM Cc1oncc1S(=O)(=O)[N-]C1(Cc2cccnc2)CCS(=O)(=O)CC1 ZINC001187413559 1205962134 /nfs/dbraw/zinc/96/21/34/1205962134.db2.gz BISBNKKAFGMLGD-UHFFFAOYSA-N -1 3 385.467 0.846 20 0 GCADHM Cc1nc(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)cc(=O)[n-]1 ZINC001187526911 1205964688 /nfs/dbraw/zinc/96/46/88/1205964688.db2.gz BGOJBGGDJNSIRI-KBPBESRZSA-N -1 3 383.408 0.435 20 0 GCADHM O=C(NCc1ncccc1[O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001187541931 1205965156 /nfs/dbraw/zinc/96/51/56/1205965156.db2.gz NICGMZSUMUUNDU-GJZGRUSLSA-N -1 3 382.420 0.410 20 0 GCADHM CC[C@@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OC ZINC001187718557 1205967719 /nfs/dbraw/zinc/96/77/19/1205967719.db2.gz YGOVENCYSAWQPB-MRVPVSSYSA-N -1 3 377.220 0.722 20 0 GCADHM COC(=O)CCS(=O)(=O)[N-][C@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001188344610 1205979766 /nfs/dbraw/zinc/97/97/66/1205979766.db2.gz JIMKESPTENTVQY-YPMHNXCESA-N -1 3 396.259 0.326 20 0 GCADHM Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)nn1 ZINC001188995986 1205994282 /nfs/dbraw/zinc/99/42/82/1205994282.db2.gz YYSMPMQVKMVIHP-INIZCTEOSA-N -1 3 390.465 0.533 20 0 GCADHM CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)Cc1cccc(F)c1F)C(N)=O ZINC001189491975 1206008314 /nfs/dbraw/zinc/00/83/14/1206008314.db2.gz RIHXOLZTFDADED-NSHDSACASA-N -1 3 378.397 0.970 20 0 GCADHM O=C1c2cccc([N-]S(=O)(=O)CCCF)c2CN1[C@H]1CCC(=O)NC1=O ZINC001189911152 1206020754 /nfs/dbraw/zinc/02/07/54/1206020754.db2.gz JESBFIVSFQFFCP-ZDUSSCGKSA-N -1 3 383.401 0.549 20 0 GCADHM CCN1C[C@@H](S(=O)(=O)[N-]N2C(=O)N[C@](CC)(c3ccccc3)C2=O)CC1=O ZINC001189936003 1206023101 /nfs/dbraw/zinc/02/31/01/1206023101.db2.gz BKMKBQZPFFAACR-SUMWQHHRSA-N -1 3 394.453 0.299 20 0 GCADHM COc1ccc(OC[C@H](O)C[N-]S(=O)(=O)c2ccc(F)c(OC)n2)cc1 ZINC001190111539 1206026906 /nfs/dbraw/zinc/02/69/06/1206026906.db2.gz MPHGKMCQQNFQPX-LLVKDONJSA-N -1 3 386.401 0.956 20 0 GCADHM COc1cc([O-])c(C(=O)N2CCn3c(CNC(C)=O)nnc3C2)c(OC)c1 ZINC001190122947 1206027569 /nfs/dbraw/zinc/02/75/69/1206027569.db2.gz WUSPIBYCVBONGW-UHFFFAOYSA-N -1 3 375.385 0.293 20 0 GCADHM COC(=O)[C@H](CCc1cn(C)cn1)[N-]S(=O)(=O)c1ccc(F)c(OC)n1 ZINC001190130774 1206028236 /nfs/dbraw/zinc/02/82/36/1206028236.db2.gz CDPUYGTWRZGQBE-LBPRGKRZSA-N -1 3 386.405 0.416 20 0 GCADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC001190383844 1206033206 /nfs/dbraw/zinc/03/32/06/1206033206.db2.gz MNDVTTMXGJZMMT-DGCLKSJQSA-N -1 3 397.457 0.827 20 0 GCADHM CC(C)c1nc(C[N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)n[nH]1 ZINC001190656691 1206040935 /nfs/dbraw/zinc/04/09/35/1206040935.db2.gz XXWQCCFPEMBMEU-UHFFFAOYSA-N -1 3 376.435 0.949 20 0 GCADHM C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1S(=O)(=O)c1ncc[n-]1 ZINC001190707185 1206043189 /nfs/dbraw/zinc/04/31/89/1206043189.db2.gz XQKVAWPPIHVZQM-CYBMUJFWSA-N -1 3 379.490 0.119 20 0 GCADHM Cc1nnsc1C[N-]S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001190818978 1206047849 /nfs/dbraw/zinc/04/78/49/1206047849.db2.gz VGHZVGLLTGPKSN-NSHDSACASA-N -1 3 392.503 0.902 20 0 GCADHM CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)c3ccc(=O)[n-]c3Cl)C2)C1 ZINC001190907796 1206050923 /nfs/dbraw/zinc/05/09/23/1206050923.db2.gz GBVNERDISLYPOB-SFHVURJKSA-N -1 3 396.875 0.741 20 0 GCADHM CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)c1ccc(=O)[n-]c1Cl)CC2 ZINC001190907771 1206051020 /nfs/dbraw/zinc/05/10/20/1206051020.db2.gz DXPHHBDUXJFLBG-LLVKDONJSA-N -1 3 383.832 0.967 20 0 GCADHM CN(C)C[C@@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191026940 1206053737 /nfs/dbraw/zinc/05/37/37/1206053737.db2.gz ZTPVNRNCRAXSTC-SECBINFHSA-N -1 3 377.850 0.096 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN(C(C)(C)CO)CC2)c(-c2nnn[n-]2)c1C ZINC000737546208 945093955 /nfs/dbraw/zinc/09/39/55/945093955.db2.gz ALCDEJYYAYFMPF-GFCCVEGCSA-N -1 3 391.476 0.792 20 0 GCADHM O=C(CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)Nc1cccnc1 ZINC000737888924 945145262 /nfs/dbraw/zinc/14/52/62/945145262.db2.gz IAWGCVMPTFQDTE-MRXNPFEDSA-N -1 3 392.423 0.985 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N(CCO)CCc1ccccc1 ZINC000738078537 945182104 /nfs/dbraw/zinc/18/21/04/945182104.db2.gz RQCOURLSTRPIAG-UHFFFAOYSA-N -1 3 396.455 0.920 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N(CCO)CCc1ccccc1 ZINC000738078537 945182111 /nfs/dbraw/zinc/18/21/11/945182111.db2.gz RQCOURLSTRPIAG-UHFFFAOYSA-N -1 3 396.455 0.920 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCN(c2cccnn2)CC1 ZINC000738100412 945189332 /nfs/dbraw/zinc/18/93/32/945189332.db2.gz OTKWZIYQNKLWAE-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCN(c2cccnn2)CC1 ZINC000738100412 945189339 /nfs/dbraw/zinc/18/93/39/945189339.db2.gz OTKWZIYQNKLWAE-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM Cn1c(=O)[nH]cc(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1=O ZINC000833037546 939221588 /nfs/dbraw/zinc/22/15/88/939221588.db2.gz DWONVGSEFFNUTJ-LJQANCHMSA-N -1 3 386.408 0.335 20 0 GCADHM CCN1CCN(Cc2ccc(CNC(=O)N[C@@]3(C(=O)[O-])CCOC3)cc2)CC1 ZINC000908798291 939322190 /nfs/dbraw/zinc/32/21/90/939322190.db2.gz HWXDPOIRTKGSQK-FQEVSTJZSA-N -1 3 390.484 0.867 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCn2c(nnc2C2CC2)C1 ZINC000738352953 945261527 /nfs/dbraw/zinc/26/15/27/945261527.db2.gz DMUONCBPHSJUIY-UHFFFAOYSA-N -1 3 390.404 0.679 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCn2c(nnc2C2CC2)C1 ZINC000738352953 945261535 /nfs/dbraw/zinc/26/15/35/945261535.db2.gz DMUONCBPHSJUIY-UHFFFAOYSA-N -1 3 390.404 0.679 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1Cn1cncn1 ZINC000738348767 945261555 /nfs/dbraw/zinc/26/15/55/945261555.db2.gz WSUXPHKNGJLHAW-NSHDSACASA-N -1 3 378.393 0.451 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1Cn1cncn1 ZINC000738348767 945261565 /nfs/dbraw/zinc/26/15/65/945261565.db2.gz WSUXPHKNGJLHAW-NSHDSACASA-N -1 3 378.393 0.451 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@@H]2C)CC1 ZINC000819796561 945291973 /nfs/dbraw/zinc/29/19/73/945291973.db2.gz LPENZBMHXXLARS-NHYWBVRUSA-N -1 3 390.879 0.904 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@@H]2C)CC1 ZINC000819796561 945291979 /nfs/dbraw/zinc/29/19/79/945291979.db2.gz LPENZBMHXXLARS-NHYWBVRUSA-N -1 3 390.879 0.904 20 0 GCADHM CC(C)[C@@H](CCO)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820020947 945331654 /nfs/dbraw/zinc/33/16/54/945331654.db2.gz NBIDGVDSYNLILT-OAHLLOKOSA-N -1 3 388.476 0.937 20 0 GCADHM CC(C)[C@@H](CCO)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820020947 945331665 /nfs/dbraw/zinc/33/16/65/945331665.db2.gz NBIDGVDSYNLILT-OAHLLOKOSA-N -1 3 388.476 0.937 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001571257719 945341142 /nfs/dbraw/zinc/34/11/42/945341142.db2.gz HTZYDQKXFASJFJ-XWKQNIGYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001571257719 945341149 /nfs/dbraw/zinc/34/11/49/945341149.db2.gz HTZYDQKXFASJFJ-XWKQNIGYSA-N -1 3 385.428 0.197 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)c1N ZINC001571257735 945341472 /nfs/dbraw/zinc/34/14/72/945341472.db2.gz IMQJCAMMSJSFPQ-SNVBAGLBSA-N -1 3 385.407 0.578 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)c1N ZINC001571257735 945341483 /nfs/dbraw/zinc/34/14/83/945341483.db2.gz IMQJCAMMSJSFPQ-SNVBAGLBSA-N -1 3 385.407 0.578 20 0 GCADHM CCO[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571257601 945342674 /nfs/dbraw/zinc/34/26/74/945342674.db2.gz HIXUYXAEQIEREQ-BXUZGUMPSA-N -1 3 385.428 0.294 20 0 GCADHM CCO[C@@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571257601 945342684 /nfs/dbraw/zinc/34/26/84/945342684.db2.gz HIXUYXAEQIEREQ-BXUZGUMPSA-N -1 3 385.428 0.294 20 0 GCADHM Cn1nccc1C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571257861 945345937 /nfs/dbraw/zinc/34/59/37/945345937.db2.gz KHRQYHKEYRGUQH-GFCCVEGCSA-N -1 3 385.407 0.923 20 0 GCADHM Cn1nccc1C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571257861 945345949 /nfs/dbraw/zinc/34/59/49/945345949.db2.gz KHRQYHKEYRGUQH-GFCCVEGCSA-N -1 3 385.407 0.923 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)C1=CCOCC1 ZINC001571257815 945346424 /nfs/dbraw/zinc/34/64/24/945346424.db2.gz JVHLATINBRUSRK-AAEUAGOBSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)C1=CCOCC1 ZINC001571257815 945346431 /nfs/dbraw/zinc/34/64/31/945346431.db2.gz JVHLATINBRUSRK-AAEUAGOBSA-N -1 3 385.428 0.651 20 0 GCADHM O=C(c1cnsn1)N1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001571258054 945347445 /nfs/dbraw/zinc/34/74/45/945347445.db2.gz LWWKDDWXTYQGHQ-QPUJVOFHSA-N -1 3 385.413 0.033 20 0 GCADHM O=C(c1cnsn1)N1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571258054 945347457 /nfs/dbraw/zinc/34/74/57/945347457.db2.gz LWWKDDWXTYQGHQ-QPUJVOFHSA-N -1 3 385.413 0.033 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571258161 945350311 /nfs/dbraw/zinc/35/03/11/945350311.db2.gz NJMXNKIRDQXCDV-LLVKDONJSA-N -1 3 385.407 0.760 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571258161 945350315 /nfs/dbraw/zinc/35/03/15/945350315.db2.gz NJMXNKIRDQXCDV-LLVKDONJSA-N -1 3 385.407 0.760 20 0 GCADHM CCN(C(=O)C1=COCCO1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571258587 945358288 /nfs/dbraw/zinc/35/82/88/945358288.db2.gz WRWJJJZRWVLAEQ-CYBMUJFWSA-N -1 3 385.428 0.886 20 0 GCADHM CCN(C(=O)C1=COCCO1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571258587 945358305 /nfs/dbraw/zinc/35/83/05/945358305.db2.gz WRWJJJZRWVLAEQ-CYBMUJFWSA-N -1 3 385.428 0.886 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001571258703 945360613 /nfs/dbraw/zinc/36/06/13/945360613.db2.gz ZRWXAHCPQPHDPE-WCQYABFASA-N -1 3 385.407 0.922 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001571258703 945360626 /nfs/dbraw/zinc/36/06/26/945360626.db2.gz ZRWXAHCPQPHDPE-WCQYABFASA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)C[C@@]2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)O1 ZINC001571258666 945361468 /nfs/dbraw/zinc/36/14/68/945361468.db2.gz YSMRWHZUUPYMHW-ZMZPIMSZSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)C[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)O1 ZINC001571258666 945361480 /nfs/dbraw/zinc/36/14/80/945361480.db2.gz YSMRWHZUUPYMHW-ZMZPIMSZSA-N -1 3 385.428 0.437 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)C2)nnn1C ZINC001571258692 945362141 /nfs/dbraw/zinc/36/21/41/945362141.db2.gz ZHQVOJYLEHKKLU-NSHDSACASA-N -1 3 385.407 0.842 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)nnn1C ZINC001571258692 945362153 /nfs/dbraw/zinc/36/21/53/945362153.db2.gz ZHQVOJYLEHKKLU-NSHDSACASA-N -1 3 385.407 0.842 20 0 GCADHM CCn1cc(C(=O)N2CCCN(c3cccc(F)c3-c3nnn[n-]3)CC2)nn1 ZINC001571258649 945362467 /nfs/dbraw/zinc/36/24/67/945362467.db2.gz YHUYWMALIYYZGZ-UHFFFAOYSA-N -1 3 385.407 0.970 20 0 GCADHM CCn1cc(C(=O)N2CCCN(c3cccc(F)c3-c3nn[n-]n3)CC2)nn1 ZINC001571258649 945362479 /nfs/dbraw/zinc/36/24/79/945362479.db2.gz YHUYWMALIYYZGZ-UHFFFAOYSA-N -1 3 385.407 0.970 20 0 GCADHM CCCc1noc(CN[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571258738 945365345 /nfs/dbraw/zinc/36/53/45/945365345.db2.gz AMBWJVTZTMJQAZ-PWSUYJOCSA-N -1 3 385.432 0.923 20 0 GCADHM CCCc1noc(CN[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571258738 945365359 /nfs/dbraw/zinc/36/53/59/945365359.db2.gz AMBWJVTZTMJQAZ-PWSUYJOCSA-N -1 3 385.432 0.923 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN1CCCNC1=O ZINC001571258875 945369181 /nfs/dbraw/zinc/36/91/81/945369181.db2.gz DJJCTVCDOZWYQK-DGCLKSJQSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN1CCCNC1=O ZINC001571258875 945369193 /nfs/dbraw/zinc/36/91/93/945369193.db2.gz DJJCTVCDOZWYQK-DGCLKSJQSA-N -1 3 385.432 0.078 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1c(I)cnn1C ZINC001610894512 970779674 /nfs/dbraw/zinc/77/96/74/970779674.db2.gz XOMBHNVESCVZFM-UHFFFAOYSA-N -1 3 380.186 0.113 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736770917 944886661 /nfs/dbraw/zinc/88/66/61/944886661.db2.gz UKHBHTSWQXJGMI-UHFFFAOYSA-N -1 3 391.388 0.903 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736770917 944886667 /nfs/dbraw/zinc/88/66/67/944886667.db2.gz UKHBHTSWQXJGMI-UHFFFAOYSA-N -1 3 391.388 0.903 20 0 GCADHM CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736857337 944902011 /nfs/dbraw/zinc/90/20/11/944902011.db2.gz RFOGONCOTILKJW-UHFFFAOYSA-N -1 3 392.423 0.902 20 0 GCADHM CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736857337 944902017 /nfs/dbraw/zinc/90/20/17/944902017.db2.gz RFOGONCOTILKJW-UHFFFAOYSA-N -1 3 392.423 0.902 20 0 GCADHM COC(=O)N(C)CCCC(=O)Nc1nc(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736931957 944911437 /nfs/dbraw/zinc/91/14/37/944911437.db2.gz DMTSEUVXWPHKHW-UHFFFAOYSA-N -1 3 399.415 0.595 20 0 GCADHM CCc1noc(CN[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571258881 945370591 /nfs/dbraw/zinc/37/05/91/945370591.db2.gz DLKRMQRNISLFKW-VXGBXAGGSA-N -1 3 385.432 0.971 20 0 GCADHM CCc1nc(CN2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)no1 ZINC001571259110 945374651 /nfs/dbraw/zinc/37/46/51/945374651.db2.gz HSQCZLPYPHZHGU-JQWIXIFHSA-N -1 3 385.432 0.923 20 0 GCADHM CCc1nc(CN2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)no1 ZINC001571259110 945374662 /nfs/dbraw/zinc/37/46/62/945374662.db2.gz HSQCZLPYPHZHGU-JQWIXIFHSA-N -1 3 385.432 0.923 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCCN(C(=O)C[C@@H]3COC(=O)C3)CC2)n1 ZINC001571259183 945379066 /nfs/dbraw/zinc/37/90/66/945379066.db2.gz JASRISFIKGSAEZ-ZDUSSCGKSA-N -1 3 385.428 0.562 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCCN(C(=O)C[C@@H]3COC(=O)C3)CC2)n1 ZINC001571259183 945379071 /nfs/dbraw/zinc/37/90/71/945379071.db2.gz JASRISFIKGSAEZ-ZDUSSCGKSA-N -1 3 385.428 0.562 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C1CC2(CCC2)C1 ZINC001571259355 945385134 /nfs/dbraw/zinc/38/51/34/945385134.db2.gz LVYIWVQROTWJPB-ZIAGYGMSSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C1CC2(CCC2)C1 ZINC001571259355 945385140 /nfs/dbraw/zinc/38/51/40/945385140.db2.gz LVYIWVQROTWJPB-ZIAGYGMSSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(NC1CC2(C1)CC(NC(=O)[C@@H]1CCCO1)C2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259369 945387412 /nfs/dbraw/zinc/38/74/12/945387412.db2.gz MDFSCMZZAUDYIK-OSADNGPVSA-N -1 3 385.428 0.531 20 0 GCADHM O=C(NC1CC2(C1)CC(NC(=O)[C@@H]1CCCO1)C2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259369 945387424 /nfs/dbraw/zinc/38/74/24/945387424.db2.gz MDFSCMZZAUDYIK-OSADNGPVSA-N -1 3 385.428 0.531 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571259495 945387864 /nfs/dbraw/zinc/38/78/64/945387864.db2.gz HCNYTGHPBFDKCS-SNVBAGLBSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571259602 945392832 /nfs/dbraw/zinc/39/28/32/945392832.db2.gz PCJBSWFUYZJZEJ-SYZWTGEBSA-N -1 3 385.428 0.339 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571259602 945392842 /nfs/dbraw/zinc/39/28/42/945392842.db2.gz PCJBSWFUYZJZEJ-SYZWTGEBSA-N -1 3 385.428 0.339 20 0 GCADHM CCc1noc(CN[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)n1 ZINC001571259611 945393781 /nfs/dbraw/zinc/39/37/81/945393781.db2.gz PFJZKDXAKRFQQP-GFCCVEGCSA-N -1 3 385.432 0.781 20 0 GCADHM CCc1noc(CN[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)n1 ZINC001571259611 945393790 /nfs/dbraw/zinc/39/37/90/945393790.db2.gz PFJZKDXAKRFQQP-GFCCVEGCSA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571259721 945397089 /nfs/dbraw/zinc/39/70/89/945397089.db2.gz PRDCYTKAQCIVCN-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571259721 945397104 /nfs/dbraw/zinc/39/71/04/945397104.db2.gz PRDCYTKAQCIVCN-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820261291 945399497 /nfs/dbraw/zinc/39/94/97/945399497.db2.gz MDIMTGPLRGZXHS-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820261291 945399507 /nfs/dbraw/zinc/39/95/07/945399507.db2.gz MDIMTGPLRGZXHS-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM O=C(C[C@@H]1CCOC1)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571259943 945403012 /nfs/dbraw/zinc/40/30/12/945403012.db2.gz SJTAFQXZVBWKBV-LBPRGKRZSA-N -1 3 385.428 0.296 20 0 GCADHM O=C(C[C@@H]1CCOC1)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571259943 945403020 /nfs/dbraw/zinc/40/30/20/945403020.db2.gz SJTAFQXZVBWKBV-LBPRGKRZSA-N -1 3 385.428 0.296 20 0 GCADHM CO[C@@H](C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1)C1CC1 ZINC001571259969 945403180 /nfs/dbraw/zinc/40/31/80/945403180.db2.gz UKNRGPDREZYHQZ-CQSZACIVSA-N -1 3 385.428 0.294 20 0 GCADHM CO[C@@H](C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1)C1CC1 ZINC001571259969 945403184 /nfs/dbraw/zinc/40/31/84/945403184.db2.gz UKNRGPDREZYHQZ-CQSZACIVSA-N -1 3 385.428 0.294 20 0 GCADHM CCCCc1noc(CN2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001571259987 945404037 /nfs/dbraw/zinc/40/40/37/945404037.db2.gz UYTQNHZPNCZPNA-UHFFFAOYSA-N -1 3 385.432 0.878 20 0 GCADHM CCCCc1noc(CN2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001571259987 945404045 /nfs/dbraw/zinc/40/40/45/945404045.db2.gz UYTQNHZPNCZPNA-UHFFFAOYSA-N -1 3 385.432 0.878 20 0 GCADHM CCc1noc([C@H](C)N2CC([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571260157 945409535 /nfs/dbraw/zinc/40/95/35/945409535.db2.gz WTRXZPJWVCQTSB-UWVGGRQHSA-N -1 3 385.432 0.952 20 0 GCADHM CCc1noc([C@H](C)N2CC([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571260157 945409543 /nfs/dbraw/zinc/40/95/43/945409543.db2.gz WTRXZPJWVCQTSB-UWVGGRQHSA-N -1 3 385.432 0.952 20 0 GCADHM CCCc1nc(CN2CC([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571260271 945412646 /nfs/dbraw/zinc/41/26/46/945412646.db2.gz ZNWJVHLPVQOYOZ-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM CCCc1nc(CN2CC([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571260271 945412650 /nfs/dbraw/zinc/41/26/50/945412650.db2.gz ZNWJVHLPVQOYOZ-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM C[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)[C@H](C)N1CCOCC1 ZINC000820365138 945430316 /nfs/dbraw/zinc/43/03/16/945430316.db2.gz HQALDGDXELRMIG-RYUDHWBXSA-N -1 3 377.424 0.914 20 0 GCADHM C[C@H](NC(=O)NCCC(=O)N1CCN(C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820367897 945432331 /nfs/dbraw/zinc/43/23/31/945432331.db2.gz VGVQZCYQILEXQX-ZDUSSCGKSA-N -1 3 386.460 0.391 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1)c1cncs1 ZINC001571262206 945436133 /nfs/dbraw/zinc/43/61/33/945436133.db2.gz OFJZVQCIABLGOZ-ZDUSSCGKSA-N -1 3 385.453 0.954 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1)c1cncs1 ZINC001571262206 945436135 /nfs/dbraw/zinc/43/61/35/945436135.db2.gz OFJZVQCIABLGOZ-ZDUSSCGKSA-N -1 3 385.453 0.954 20 0 GCADHM CCn1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1snc(C)c1-c1nnn[n-]1 ZINC001571262610 945441168 /nfs/dbraw/zinc/44/11/68/945441168.db2.gz WLNUSGVQNJMJMF-QWRGUYRKSA-N -1 3 385.457 0.951 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1csnn1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571262918 945445260 /nfs/dbraw/zinc/44/52/60/945445260.db2.gz CAEXPQVFOBTLLZ-VGPLMAKISA-N -1 3 385.457 0.972 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2Cc1csnn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571262918 945445265 /nfs/dbraw/zinc/44/52/65/945445265.db2.gz CAEXPQVFOBTLLZ-VGPLMAKISA-N -1 3 385.457 0.972 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000820438216 945448646 /nfs/dbraw/zinc/44/86/46/945448646.db2.gz KWLMDARDTYLJLE-GRYCIOLGSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000820438216 945448652 /nfs/dbraw/zinc/44/86/52/945448652.db2.gz KWLMDARDTYLJLE-GRYCIOLGSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC2(CCC2)C1 ZINC000820438558 945448934 /nfs/dbraw/zinc/44/89/34/945448934.db2.gz RUPUASODBUMQIS-GFCCVEGCSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC2(CCC2)C1 ZINC000820438558 945448938 /nfs/dbraw/zinc/44/89/38/945448938.db2.gz RUPUASODBUMQIS-GFCCVEGCSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000820438218 945449464 /nfs/dbraw/zinc/44/94/64/945449464.db2.gz KWLMDARDTYLJLE-TUAOUCFPSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000820438218 945449469 /nfs/dbraw/zinc/44/94/69/945449469.db2.gz KWLMDARDTYLJLE-TUAOUCFPSA-N -1 3 378.458 0.933 20 0 GCADHM Cc1nnc(CN2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)s1 ZINC001571263173 945451507 /nfs/dbraw/zinc/45/15/07/945451507.db2.gz JJRJKSUZIZKPJX-CNDDSTCGSA-N -1 3 385.457 0.463 20 0 GCADHM Cc1nnc(CN2C[C@@H]3[C@@H](CNC(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)s1 ZINC001571263173 945451516 /nfs/dbraw/zinc/45/15/16/945451516.db2.gz JJRJKSUZIZKPJX-CNDDSTCGSA-N -1 3 385.457 0.463 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H]1C1CC1 ZINC000820446426 945452981 /nfs/dbraw/zinc/45/29/81/945452981.db2.gz WFQFBKMEJFOTOK-IAQYHMDHSA-N -1 3 390.469 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H]1C1CC1 ZINC000820446426 945452984 /nfs/dbraw/zinc/45/29/84/945452984.db2.gz WFQFBKMEJFOTOK-IAQYHMDHSA-N -1 3 390.469 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCOC1 ZINC000820450161 945453020 /nfs/dbraw/zinc/45/30/20/945453020.db2.gz HOGYUSXJTQVINS-NEPJUHHUSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCOC1 ZINC000820450161 945453024 /nfs/dbraw/zinc/45/30/24/945453024.db2.gz HOGYUSXJTQVINS-NEPJUHHUSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H]1C1CC1 ZINC000820446428 945453121 /nfs/dbraw/zinc/45/31/21/945453121.db2.gz WFQFBKMEJFOTOK-NHYWBVRUSA-N -1 3 390.469 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H]1C1CC1 ZINC000820446428 945453126 /nfs/dbraw/zinc/45/31/26/945453126.db2.gz WFQFBKMEJFOTOK-NHYWBVRUSA-N -1 3 390.469 0.935 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@H](NCc2nnc(C3CC3)s2)C1 ZINC001571263378 945457264 /nfs/dbraw/zinc/45/72/64/945457264.db2.gz OQUBJNVOBNWVQE-LLVKDONJSA-N -1 3 385.457 0.928 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@H](NCc2nnc(C3CC3)s2)C1 ZINC001571263378 945457271 /nfs/dbraw/zinc/45/72/71/945457271.db2.gz OQUBJNVOBNWVQE-LLVKDONJSA-N -1 3 385.457 0.928 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820467512 945457863 /nfs/dbraw/zinc/45/78/63/945457863.db2.gz IXLRETZJDQKOID-QMTHXVAHSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820467512 945457869 /nfs/dbraw/zinc/45/78/69/945457869.db2.gz IXLRETZJDQKOID-QMTHXVAHSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000820494851 945463380 /nfs/dbraw/zinc/46/33/80/945463380.db2.gz CGNCRFAJJBRTQR-LLVKDONJSA-N -1 3 386.412 0.078 20 0 GCADHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000820494851 945463384 /nfs/dbraw/zinc/46/33/84/945463384.db2.gz CGNCRFAJJBRTQR-LLVKDONJSA-N -1 3 386.412 0.078 20 0 GCADHM C[C@H](OC(=O)CN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495682 945463475 /nfs/dbraw/zinc/46/34/75/945463475.db2.gz IXBSTHAWXVHHMT-LBPRGKRZSA-N -1 3 394.457 0.048 20 0 GCADHM C[C@H](OC(=O)CN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495682 945463479 /nfs/dbraw/zinc/46/34/79/945463479.db2.gz IXBSTHAWXVHHMT-LBPRGKRZSA-N -1 3 394.457 0.048 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@]2(CCN(Cc3cnsn3)C2)C1 ZINC001571263860 945469206 /nfs/dbraw/zinc/46/92/06/945469206.db2.gz YOCNCMNDPYWYKQ-INIZCTEOSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@]2(CCN(Cc3cnsn3)C2)C1 ZINC001571263860 945469215 /nfs/dbraw/zinc/46/92/15/945469215.db2.gz YOCNCMNDPYWYKQ-INIZCTEOSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@]2(CCN(Cc3cnns3)C2)C1 ZINC001571263892 945469776 /nfs/dbraw/zinc/46/97/76/945469776.db2.gz ZEXPVQRMZLFEKY-INIZCTEOSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@]2(CCN(Cc3cnns3)C2)C1 ZINC001571263892 945469780 /nfs/dbraw/zinc/46/97/80/945469780.db2.gz ZEXPVQRMZLFEKY-INIZCTEOSA-N -1 3 385.457 0.785 20 0 GCADHM CC1(C)SC(=O)N(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC000820606801 945496462 /nfs/dbraw/zinc/49/64/62/945496462.db2.gz DXOWETLPAKONQW-UHFFFAOYSA-N -1 3 388.457 0.815 20 0 GCADHM CC1(C)SC(=O)N(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC000820606801 945496467 /nfs/dbraw/zinc/49/64/67/945496467.db2.gz DXOWETLPAKONQW-UHFFFAOYSA-N -1 3 388.457 0.815 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)NC(=O)NC1=O ZINC000820606782 945497323 /nfs/dbraw/zinc/49/73/23/945497323.db2.gz CTFUCKCQRASVPG-UGSOOPFHSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820606782 945497331 /nfs/dbraw/zinc/49/73/31/945497331.db2.gz CTFUCKCQRASVPG-UGSOOPFHSA-N -1 3 383.412 0.246 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571265011 945497551 /nfs/dbraw/zinc/49/75/51/945497551.db2.gz CJGYZJQQTQDWJA-NFAWXSAZSA-N -1 3 385.476 0.980 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)NC(=O)NC1=O ZINC000820607720 945498651 /nfs/dbraw/zinc/49/86/51/945498651.db2.gz YJYVBDHXATURMR-FZKQIMNGSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)NC(=O)NC1=O ZINC000820607720 945498653 /nfs/dbraw/zinc/49/86/53/945498653.db2.gz YJYVBDHXATURMR-FZKQIMNGSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)NC(=O)NC1=O ZINC000820607372 945498667 /nfs/dbraw/zinc/49/86/67/945498667.db2.gz RZWWVALUWYASIH-BJOHPYRUSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)NC(=O)NC1=O ZINC000820607372 945498672 /nfs/dbraw/zinc/49/86/72/945498672.db2.gz RZWWVALUWYASIH-BJOHPYRUSA-N -1 3 375.414 0.379 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001571265150 945502023 /nfs/dbraw/zinc/50/20/23/945502023.db2.gz DYTIIGKQRKLDMG-ZIAGYGMSSA-N -1 3 385.476 0.356 20 0 GCADHM C[C@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001571265232 945505196 /nfs/dbraw/zinc/50/51/96/945505196.db2.gz DAKRSVGRUZQVOA-UONOGXRCSA-N -1 3 385.476 0.213 20 0 GCADHM CN1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571265679 945515335 /nfs/dbraw/zinc/51/53/35/945515335.db2.gz OMILCFCTMUQUSF-OLZOCXBDSA-N -1 3 385.476 0.472 20 0 GCADHM CN1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571265679 945515339 /nfs/dbraw/zinc/51/53/39/945515339.db2.gz OMILCFCTMUQUSF-OLZOCXBDSA-N -1 3 385.476 0.472 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3cncc(Cl)n3)C[C@H]21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571265703 945518857 /nfs/dbraw/zinc/51/88/57/945518857.db2.gz OYABFUJAKXEJHT-RTCCRHLQSA-N -1 3 385.819 0.750 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3cncc(Cl)n3)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571265703 945518865 /nfs/dbraw/zinc/51/88/65/945518865.db2.gz OYABFUJAKXEJHT-RTCCRHLQSA-N -1 3 385.819 0.750 20 0 GCADHM Cc1nn(C)c(N2CCN(C(=O)NC[C@]34C[C@H]3CCC4)CC2)c1-c1nnn[n-]1 ZINC001571266131 945531972 /nfs/dbraw/zinc/53/19/72/945531972.db2.gz WYXSBUMPMFXKGV-ACJLOTCBSA-N -1 3 385.476 0.930 20 0 GCADHM Cc1nn(C)c(N2CCN(C(=O)NC[C@]34C[C@H]3CCC4)CC2)c1-c1nn[n-]n1 ZINC001571266131 945531977 /nfs/dbraw/zinc/53/19/77/945531977.db2.gz WYXSBUMPMFXKGV-ACJLOTCBSA-N -1 3 385.476 0.930 20 0 GCADHM CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001571266239 945533903 /nfs/dbraw/zinc/53/39/03/945533903.db2.gz YFPKNIDQXWZRPY-UONOGXRCSA-N -1 3 385.476 0.616 20 0 GCADHM CN1CCC[C@H]1C(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571266308 945537575 /nfs/dbraw/zinc/53/75/75/945537575.db2.gz YYGXOEZMDYDPOK-KBPBESRZSA-N -1 3 385.476 0.472 20 0 GCADHM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)C1 ZINC001571266383 945538800 /nfs/dbraw/zinc/53/88/00/945538800.db2.gz PNTHKAYADRFDHR-SNVBAGLBSA-N -1 3 385.475 0.151 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCS[C@H](C)C1 ZINC000820733893 945540371 /nfs/dbraw/zinc/54/03/71/945540371.db2.gz JUMUDQCHIQYNRD-GHMZBOCLSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCS[C@H](C)C1 ZINC000820733893 945540380 /nfs/dbraw/zinc/54/03/80/945540380.db2.gz JUMUDQCHIQYNRD-GHMZBOCLSA-N -1 3 396.498 0.497 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC001571266722 945551969 /nfs/dbraw/zinc/55/19/69/945551969.db2.gz XYMWNUZBWHTWNH-DTWKUNHWSA-N -1 3 385.475 0.078 20 0 GCADHM CO[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cn[nH]c1 ZINC001571266965 945558931 /nfs/dbraw/zinc/55/89/31/945558931.db2.gz DKKJIPIOVUMKGO-HUUCEWRRSA-N -1 3 386.391 0.358 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820813424 945559114 /nfs/dbraw/zinc/55/91/14/945559114.db2.gz GSFSLSWPIQGRDI-SNVBAGLBSA-N -1 3 375.414 0.536 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820813424 945559119 /nfs/dbraw/zinc/55/91/19/945559119.db2.gz GSFSLSWPIQGRDI-SNVBAGLBSA-N -1 3 375.414 0.536 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820813201 945559246 /nfs/dbraw/zinc/55/92/46/945559246.db2.gz ATINTUMPIKMPPI-JTQLQIEISA-N -1 3 375.414 0.536 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820813201 945559258 /nfs/dbraw/zinc/55/92/58/945559258.db2.gz ATINTUMPIKMPPI-JTQLQIEISA-N -1 3 375.414 0.536 20 0 GCADHM CCOc1nc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)co1 ZINC001571267065 945560678 /nfs/dbraw/zinc/56/06/78/945560678.db2.gz IHYKTEJOOOMIOA-VIFPVBQESA-N -1 3 386.372 0.226 20 0 GCADHM CCOc1nc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)co1 ZINC001571267065 945560684 /nfs/dbraw/zinc/56/06/84/945560684.db2.gz IHYKTEJOOOMIOA-VIFPVBQESA-N -1 3 386.372 0.226 20 0 GCADHM O=C(NC[C@H]1CN(CC=C(Cl)Cl)CCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571267357 945567933 /nfs/dbraw/zinc/56/79/33/945567933.db2.gz RSKWTSVWKVDZDU-JTQLQIEISA-N -1 3 386.243 0.944 20 0 GCADHM O=C(NC[C@H]1CN(CC=C(Cl)Cl)CCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571267357 945567935 /nfs/dbraw/zinc/56/79/35/945567935.db2.gz RSKWTSVWKVDZDU-JTQLQIEISA-N -1 3 386.243 0.944 20 0 GCADHM COc1cc(C(=O)NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)on1 ZINC001571267377 945569956 /nfs/dbraw/zinc/56/99/56/945569956.db2.gz SOAFOQGHJSLTMS-UHFFFAOYSA-N -1 3 386.372 0.226 20 0 GCADHM COc1cc(C(=O)NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)on1 ZINC001571267377 945569960 /nfs/dbraw/zinc/56/99/60/945569960.db2.gz SOAFOQGHJSLTMS-UHFFFAOYSA-N -1 3 386.372 0.226 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O)c1ccoc1 ZINC001571267443 945570556 /nfs/dbraw/zinc/57/05/56/945570556.db2.gz VJHLXORTPYLRFH-CVEARBPZSA-N -1 3 386.387 0.964 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O)c1ccoc1 ZINC001571267443 945570560 /nfs/dbraw/zinc/57/05/60/945570560.db2.gz VJHLXORTPYLRFH-CVEARBPZSA-N -1 3 386.387 0.964 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O)c1ccoc1 ZINC001571267446 945570686 /nfs/dbraw/zinc/57/06/86/945570686.db2.gz VJHLXORTPYLRFH-JKSUJKDBSA-N -1 3 386.387 0.964 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O)c1ccoc1 ZINC001571267446 945570691 /nfs/dbraw/zinc/57/06/91/945570691.db2.gz VJHLXORTPYLRFH-JKSUJKDBSA-N -1 3 386.387 0.964 20 0 GCADHM COC(=O)c1cccn(CC(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)c1=O ZINC001571267448 945571049 /nfs/dbraw/zinc/57/10/49/945571049.db2.gz VMYREDVVCJLMFT-UHFFFAOYSA-N -1 3 386.343 0.271 20 0 GCADHM COC(=O)c1cccn(CC(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)c1=O ZINC001571267448 945571055 /nfs/dbraw/zinc/57/10/55/945571055.db2.gz VMYREDVVCJLMFT-UHFFFAOYSA-N -1 3 386.343 0.271 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O)c1ccoc1 ZINC001571267444 945571226 /nfs/dbraw/zinc/57/12/26/945571226.db2.gz VJHLXORTPYLRFH-HOTGVXAUSA-N -1 3 386.387 0.964 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O)c1ccoc1 ZINC001571267444 945571233 /nfs/dbraw/zinc/57/12/33/945571233.db2.gz VJHLXORTPYLRFH-HOTGVXAUSA-N -1 3 386.387 0.964 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571267709 945576615 /nfs/dbraw/zinc/57/66/15/945576615.db2.gz CKHHVHCPUJDCKN-KOLCDFICSA-N -1 3 386.395 0.350 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571267709 945576626 /nfs/dbraw/zinc/57/66/26/945576626.db2.gz CKHHVHCPUJDCKN-KOLCDFICSA-N -1 3 386.395 0.350 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@@H](NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267684 945577657 /nfs/dbraw/zinc/57/76/57/945577657.db2.gz BRAATAJBGMBJOB-NXEZZACHSA-N -1 3 386.395 0.838 20 0 GCADHM Cc1nonc1CC(=O)N(C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571267695 945577883 /nfs/dbraw/zinc/57/78/83/945577883.db2.gz BSWMKZFTTTURSO-UHFFFAOYSA-N -1 3 386.391 0.583 20 0 GCADHM Cc1nonc1CC(=O)N(C)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571267695 945577885 /nfs/dbraw/zinc/57/78/85/945577885.db2.gz BSWMKZFTTTURSO-UHFFFAOYSA-N -1 3 386.391 0.583 20 0 GCADHM O=C(CCn1cnnn1)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571267867 945580948 /nfs/dbraw/zinc/58/09/48/945580948.db2.gz HCHVVAQYPAVGCN-NSHDSACASA-N -1 3 386.395 0.486 20 0 GCADHM O=C(CCn1cnnn1)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571267867 945580955 /nfs/dbraw/zinc/58/09/55/945580955.db2.gz HCHVVAQYPAVGCN-NSHDSACASA-N -1 3 386.395 0.486 20 0 GCADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC000820920258 945588480 /nfs/dbraw/zinc/58/84/80/945588480.db2.gz OCWSLEUDFIKXOB-DOMZBBRYSA-N -1 3 387.444 0.864 20 0 GCADHM CC[C@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC000820920258 945588486 /nfs/dbraw/zinc/58/84/86/945588486.db2.gz OCWSLEUDFIKXOB-DOMZBBRYSA-N -1 3 387.444 0.864 20 0 GCADHM Cc1nc(CNC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)oc1C ZINC001571268167 945589123 /nfs/dbraw/zinc/58/91/23/945589123.db2.gz BQEZMBNDZMOPDL-LBPRGKRZSA-N -1 3 386.416 0.430 20 0 GCADHM Cc1nc(CNC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)oc1C ZINC001571268167 945589132 /nfs/dbraw/zinc/58/91/32/945589132.db2.gz BQEZMBNDZMOPDL-LBPRGKRZSA-N -1 3 386.416 0.430 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001571268270 945591165 /nfs/dbraw/zinc/59/11/65/945591165.db2.gz PWQPTSLGUGFJMK-ZYHUDNBSSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001571268270 945591172 /nfs/dbraw/zinc/59/11/72/945591172.db2.gz PWQPTSLGUGFJMK-ZYHUDNBSSA-N -1 3 386.395 0.339 20 0 GCADHM O=C(NC[C@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)CCO1)c1ccn[nH]1 ZINC001571268453 945595829 /nfs/dbraw/zinc/59/58/29/945595829.db2.gz SJFKKHSWTUMHIJ-ZDUSSCGKSA-N -1 3 386.391 0.360 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571268582 945600629 /nfs/dbraw/zinc/60/06/29/945600629.db2.gz HZCUXWFUCPKLHX-FITYOTRXSA-N -1 3 386.431 0.713 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571268582 945600635 /nfs/dbraw/zinc/60/06/35/945600635.db2.gz HZCUXWFUCPKLHX-FITYOTRXSA-N -1 3 386.431 0.713 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2ncn(C)n2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571268869 945605801 /nfs/dbraw/zinc/60/58/01/945605801.db2.gz YAUNVORBQLQCCB-KOLCDFICSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2ncn(C)n2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571268869 945605808 /nfs/dbraw/zinc/60/58/08/945605808.db2.gz YAUNVORBQLQCCB-KOLCDFICSA-N -1 3 386.395 0.317 20 0 GCADHM Cc1c(C(=O)N(C)[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)nnn1C ZINC001571268915 945607766 /nfs/dbraw/zinc/60/77/66/945607766.db2.gz ZJKMHKVWTDIYLQ-NSHDSACASA-N -1 3 386.395 0.189 20 0 GCADHM Cc1c(C(=O)N(C)[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)nnn1C ZINC001571268915 945607770 /nfs/dbraw/zinc/60/77/70/945607770.db2.gz ZJKMHKVWTDIYLQ-NSHDSACASA-N -1 3 386.395 0.189 20 0 GCADHM Cc1cc(CN[C@H](C)[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)no1 ZINC001571268949 945607808 /nfs/dbraw/zinc/60/78/08/945607808.db2.gz LJHNMVQANJVBOI-IAQYHMDHSA-N -1 3 386.416 0.511 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571268922 945607859 /nfs/dbraw/zinc/60/78/59/945607859.db2.gz ZPYLDPHIHGUYSX-KOLCDFICSA-N -1 3 386.395 0.350 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571268922 945607861 /nfs/dbraw/zinc/60/78/61/945607861.db2.gz ZPYLDPHIHGUYSX-KOLCDFICSA-N -1 3 386.395 0.350 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)o1 ZINC001571268889 945608385 /nfs/dbraw/zinc/60/83/85/945608385.db2.gz YKCAUCUMBRYECO-ZDUSSCGKSA-N -1 3 386.391 0.630 20 0 GCADHM Cc1conc1CN1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571269098 945612427 /nfs/dbraw/zinc/61/24/27/945612427.db2.gz OQSJMHKVMCMOKX-ZDUSSCGKSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1conc1CN1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571269098 945612430 /nfs/dbraw/zinc/61/24/30/945612430.db2.gz OQSJMHKVMCMOKX-ZDUSSCGKSA-N -1 3 386.416 0.512 20 0 GCADHM C[C@H](NC(=O)[C@]12C[C@H]1COC2)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571269131 945613501 /nfs/dbraw/zinc/61/35/01/945613501.db2.gz PUYKXWPFPXHWRO-LLJZQGTPSA-N -1 3 386.431 0.979 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCCN2C(=O)[C@@H]2COC(=O)N2)n1 ZINC001571269180 945613838 /nfs/dbraw/zinc/61/38/38/945613838.db2.gz RIBUUDSPFGPTGV-YPMHNXCESA-N -1 3 386.416 0.472 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCCN2C(=O)[C@@H]2COC(=O)N2)n1 ZINC001571269180 945613844 /nfs/dbraw/zinc/61/38/44/945613844.db2.gz RIBUUDSPFGPTGV-YPMHNXCESA-N -1 3 386.416 0.472 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571269435 945619273 /nfs/dbraw/zinc/61/92/73/945619273.db2.gz YKALIVINCYAMNK-UTXMOHQDSA-N -1 3 386.431 0.979 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571269435 945619279 /nfs/dbraw/zinc/61/92/79/945619279.db2.gz YKALIVINCYAMNK-UTXMOHQDSA-N -1 3 386.431 0.979 20 0 GCADHM CSc1ccc(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)cc1-c1nnn[n-]1 ZINC001571269622 945623971 /nfs/dbraw/zinc/62/39/71/945623971.db2.gz AQWYJVZTEDTCCK-SNVBAGLBSA-N -1 3 386.441 0.765 20 0 GCADHM CSc1ccc(CNC(=O)[C@@H]2CCC3N=NC(=O)N3C2)cc1-c1nn[n-]n1 ZINC001571269622 945623976 /nfs/dbraw/zinc/62/39/76/945623976.db2.gz AQWYJVZTEDTCCK-SNVBAGLBSA-N -1 3 386.441 0.765 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2nccs2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571269811 945625049 /nfs/dbraw/zinc/62/50/49/945625049.db2.gz CXQWKQQDYRTZAV-ONGXEEELSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2nccs2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571269811 945625054 /nfs/dbraw/zinc/62/50/54/945625054.db2.gz CXQWKQQDYRTZAV-ONGXEEELSA-N -1 3 386.441 0.980 20 0 GCADHM COCc1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571269847 945625344 /nfs/dbraw/zinc/62/53/44/945625344.db2.gz FATBSTBULMLSCJ-NSHDSACASA-N -1 3 386.441 0.873 20 0 GCADHM COCc1ncc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571269847 945625349 /nfs/dbraw/zinc/62/53/49/945625349.db2.gz FATBSTBULMLSCJ-NSHDSACASA-N -1 3 386.441 0.873 20 0 GCADHM O=C(CCc1nccs1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571269823 945625658 /nfs/dbraw/zinc/62/56/58/945625658.db2.gz DLEVSNCBGGGHGA-UHFFFAOYSA-N -1 3 386.441 0.569 20 0 GCADHM O=C(CCc1nccs1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571269823 945625664 /nfs/dbraw/zinc/62/56/64/945625664.db2.gz DLEVSNCBGGGHGA-UHFFFAOYSA-N -1 3 386.441 0.569 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)ns1 ZINC001571269918 945627159 /nfs/dbraw/zinc/62/71/59/945627159.db2.gz HTWCENLHWPFPGX-LLVKDONJSA-N -1 3 386.441 0.946 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)ns1 ZINC001571269918 945627166 /nfs/dbraw/zinc/62/71/66/945627166.db2.gz HTWCENLHWPFPGX-LLVKDONJSA-N -1 3 386.441 0.946 20 0 GCADHM Cc1nc(C)c(C(=O)N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)s1 ZINC001571269920 945627248 /nfs/dbraw/zinc/62/72/48/945627248.db2.gz HTWFNFHZTSABDN-UHFFFAOYSA-N -1 3 386.441 0.866 20 0 GCADHM Cc1nc(C)c(C(=O)N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)s1 ZINC001571269920 945627253 /nfs/dbraw/zinc/62/72/53/945627253.db2.gz HTWFNFHZTSABDN-UHFFFAOYSA-N -1 3 386.441 0.866 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)c1cccnn1 ZINC001571269885 945627358 /nfs/dbraw/zinc/62/73/58/945627358.db2.gz GLUGZCPSXHWFPW-CHWSQXEVSA-N -1 3 386.441 0.347 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1NC(=O)c1cccnn1 ZINC001571269885 945627365 /nfs/dbraw/zinc/62/73/65/945627365.db2.gz GLUGZCPSXHWFPW-CHWSQXEVSA-N -1 3 386.441 0.347 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)cc1=O ZINC001571269902 945627569 /nfs/dbraw/zinc/62/75/69/945627569.db2.gz HIXPTLPTVRWKLX-JTQLQIEISA-N -1 3 386.441 0.026 20 0 GCADHM CCc1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)s1 ZINC001571269933 945627637 /nfs/dbraw/zinc/62/76/37/945627637.db2.gz IGEXTCHXLXVTMQ-DTORHVGOSA-N -1 3 386.441 0.905 20 0 GCADHM CCc1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)s1 ZINC001571269933 945627640 /nfs/dbraw/zinc/62/76/40/945627640.db2.gz IGEXTCHXLXVTMQ-DTORHVGOSA-N -1 3 386.441 0.905 20 0 GCADHM CCCCOC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821071704 945628464 /nfs/dbraw/zinc/62/84/64/945628464.db2.gz JYFBFAPEAGDJRK-LLVKDONJSA-N -1 3 375.385 0.872 20 0 GCADHM 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ZINC001571278765 945759696 /nfs/dbraw/zinc/75/96/96/945759696.db2.gz BSZDJLDDAKABCY-JTQLQIEISA-N -1 3 387.429 0.375 20 0 GCADHM CNC(=O)CC1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821632869 945760073 /nfs/dbraw/zinc/76/00/73/945760073.db2.gz MQTZMYIABCBVNA-UHFFFAOYSA-N -1 3 392.485 0.489 20 0 GCADHM CNC(=O)CC1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821632869 945760079 /nfs/dbraw/zinc/76/00/79/945760079.db2.gz MQTZMYIABCBVNA-UHFFFAOYSA-N -1 3 392.485 0.489 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)c3cnns3)CCO2)ccc1-c1nnn[n-]1 ZINC001571278766 945760124 /nfs/dbraw/zinc/76/01/24/945760124.db2.gz BSZDJLDDAKABCY-SNVBAGLBSA-N -1 3 387.429 0.375 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)c3cnns3)CCO2)ccc1-c1nn[n-]n1 ZINC001571278766 945760131 /nfs/dbraw/zinc/76/01/31/945760131.db2.gz BSZDJLDDAKABCY-SNVBAGLBSA-N -1 3 387.429 0.375 20 0 GCADHM COc1ccc(C(=O)N[C@H]2C[C@@H](Nc3snc(C)c3-c3nnn[n-]3)C2)nn1 ZINC001571278804 945760524 /nfs/dbraw/zinc/76/05/24/945760524.db2.gz CMEQSWLAZXMNQB-DTORHVGOSA-N 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CN(C(=O)[C@@]1(C)CCCOC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571278882 945763072 /nfs/dbraw/zinc/76/30/72/945763072.db2.gz FCDKYKBIFICPMJ-SGTLLEGYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@]1(C(=O)N2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCCOC1 ZINC001571278843 945763180 /nfs/dbraw/zinc/76/31/80/945763180.db2.gz DJFOCEXBRQVTQE-SFHVURJKSA-N -1 3 387.444 0.686 20 0 GCADHM C[C@]1(C(=O)N2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCCOC1 ZINC001571278843 945763186 /nfs/dbraw/zinc/76/31/86/945763186.db2.gz DJFOCEXBRQVTQE-SFHVURJKSA-N -1 3 387.444 0.686 20 0 GCADHM CN(C(=O)[C@@]1(C)CCCOC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571278883 945763481 /nfs/dbraw/zinc/76/34/81/945763481.db2.gz FCDKYKBIFICPMJ-XIKOKIGWSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)[C@@]1(C)CCCOC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571278883 945763485 /nfs/dbraw/zinc/76/34/85/945763485.db2.gz FCDKYKBIFICPMJ-XIKOKIGWSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H]1CO[C@@H](C(=O)NCC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571278848 945763555 /nfs/dbraw/zinc/76/35/55/945763555.db2.gz DNAFQQMBUITCHO-IAQYHMDHSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CO[C@@H](C(=O)NCC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571278848 945763561 /nfs/dbraw/zinc/76/35/61/945763561.db2.gz DNAFQQMBUITCHO-IAQYHMDHSA-N -1 3 387.444 0.588 20 0 GCADHM Cc1nsc(NC[C@H]2CN(C(=O)c3ccncn3)CCO2)c1-c1nnn[n-]1 ZINC001571279015 945766975 /nfs/dbraw/zinc/76/69/75/945766975.db2.gz GAIAJGMSYFFIJN-JTQLQIEISA-N -1 3 387.429 0.375 20 0 GCADHM Cc1nsc(N2CCOC[C@H]2CNC(=O)c2cccnn2)c1-c1nnn[n-]1 ZINC001571279033 945767541 /nfs/dbraw/zinc/76/75/41/945767541.db2.gz GTAGOGAILFWNIC-SNVBAGLBSA-N -1 3 387.429 0.057 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571278995 945767876 /nfs/dbraw/zinc/76/78/76/945767876.db2.gz UJHLYLVSDLDGLT-NSHDSACASA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571278995 945767881 /nfs/dbraw/zinc/76/78/81/945767881.db2.gz UJHLYLVSDLDGLT-NSHDSACASA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@](O)(CC(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001571279088 945768428 /nfs/dbraw/zinc/76/84/28/945768428.db2.gz IMKMARDAUDANIA-GOSISDBHSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@](O)(CC(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001571279088 945768436 /nfs/dbraw/zinc/76/84/36/945768436.db2.gz IMKMARDAUDANIA-GOSISDBHSA-N -1 3 387.444 0.467 20 0 GCADHM CN(C(=O)[C@@H]1CCCO1)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279057 945768575 /nfs/dbraw/zinc/76/85/75/945768575.db2.gz HMMQURACOJWZLE-QOZQQMKHSA-N -1 3 387.444 0.873 20 0 GCADHM CN(C(=O)[C@@H]1CCCO1)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571279057 945768579 /nfs/dbraw/zinc/76/85/79/945768579.db2.gz HMMQURACOJWZLE-QOZQQMKHSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279063 945769396 /nfs/dbraw/zinc/76/93/96/945769396.db2.gz HTIAHNUYQBROGJ-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571279063 945769399 /nfs/dbraw/zinc/76/93/99/945769399.db2.gz HTIAHNUYQBROGJ-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279181 945771451 /nfs/dbraw/zinc/77/14/51/945771451.db2.gz KPALNCIVOANTTA-RWSFTLGLSA-N -1 3 387.444 0.587 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279181 945771455 /nfs/dbraw/zinc/77/14/55/945771455.db2.gz KPALNCIVOANTTA-RWSFTLGLSA-N -1 3 387.444 0.587 20 0 GCADHM COC1CC(C(=O)N[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2(C)C)C1 ZINC001571279143 945771914 /nfs/dbraw/zinc/77/19/14/945771914.db2.gz JRBPJQCOVSTONY-OVGLSYRBSA-N -1 3 387.444 0.587 20 0 GCADHM COC1CC(C(=O)N[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2(C)C)C1 ZINC001571279143 945771924 /nfs/dbraw/zinc/77/19/24/945771924.db2.gz JRBPJQCOVSTONY-OVGLSYRBSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001571279426 945778442 /nfs/dbraw/zinc/77/84/42/945778442.db2.gz OKFGPNSHUGIPHL-LTZCYQRMSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001571279426 945778452 /nfs/dbraw/zinc/77/84/52/945778452.db2.gz OKFGPNSHUGIPHL-LTZCYQRMSA-N -1 3 387.444 0.179 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)CC2OCCCO2)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571279523 945779151 /nfs/dbraw/zinc/77/91/51/945779151.db2.gz RBAYDHBITXLVJA-OCCSQVGLSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)CC2OCCCO2)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571279523 945779157 /nfs/dbraw/zinc/77/91/57/945779157.db2.gz RBAYDHBITXLVJA-OCCSQVGLSA-N -1 3 387.444 0.888 20 0 GCADHM CN(C(=O)c1csc(=O)[nH]1)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571279520 945779425 /nfs/dbraw/zinc/77/94/25/945779425.db2.gz RABQFHQHAFPNQT-UHFFFAOYSA-N -1 3 387.429 0.560 20 0 GCADHM C[C@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571279509 945779516 /nfs/dbraw/zinc/77/95/16/945779516.db2.gz QOAULXSKAVXMSG-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571279509 945779517 /nfs/dbraw/zinc/77/95/17/945779517.db2.gz QOAULXSKAVXMSG-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM CCOC1CC(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571279476 945780562 /nfs/dbraw/zinc/78/05/62/945780562.db2.gz PTGKEDNEUNFEBM-HRDQMINSSA-N -1 3 387.444 0.731 20 0 GCADHM CCOC1CC(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571279476 945780572 /nfs/dbraw/zinc/78/05/72/945780572.db2.gz PTGKEDNEUNFEBM-HRDQMINSSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)CC2OCCCO2)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571279522 945780712 /nfs/dbraw/zinc/78/07/12/945780712.db2.gz RBAYDHBITXLVJA-JSGCOSHPSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)CC2OCCCO2)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571279522 945780721 /nfs/dbraw/zinc/78/07/21/945780721.db2.gz RBAYDHBITXLVJA-JSGCOSHPSA-N -1 3 387.444 0.888 20 0 GCADHM COC(=O)[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821656092 945781060 /nfs/dbraw/zinc/78/10/60/945781060.db2.gz XNVODJMXQSWBKF-AWEZNQCLSA-N -1 3 379.442 0.668 20 0 GCADHM COC(=O)[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821656092 945781062 /nfs/dbraw/zinc/78/10/62/945781062.db2.gz XNVODJMXQSWBKF-AWEZNQCLSA-N -1 3 379.442 0.668 20 0 GCADHM CN(C(=O)C[C@@H]1CCCCO1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571279588 945782347 /nfs/dbraw/zinc/78/23/47/945782347.db2.gz SMABLMXPZMNOGP-KBPBESRZSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C(=O)C[C@@H]1CCCCO1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571279588 945782352 /nfs/dbraw/zinc/78/23/52/945782352.db2.gz SMABLMXPZMNOGP-KBPBESRZSA-N -1 3 387.444 0.827 20 0 GCADHM 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RYWZNRHPWRHDKY-IUODEOHRSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(C[C@@H]1CCCCO1)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282900 945865301 /nfs/dbraw/zinc/86/53/01/945865301.db2.gz VCJVPYIILYNYDM-KGLIPLIRSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(C[C@@H]1CCCCO1)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282900 945865311 /nfs/dbraw/zinc/86/53/11/945865311.db2.gz VCJVPYIILYNYDM-KGLIPLIRSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1)C(C)C ZINC001573453743 945866427 /nfs/dbraw/zinc/86/64/27/945866427.db2.gz OQXATLSPQNAAQR-IBGZPJMESA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1)C(C)C ZINC001573453743 945866441 /nfs/dbraw/zinc/86/64/41/945866441.db2.gz OQXATLSPQNAAQR-IBGZPJMESA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573453977 945868640 /nfs/dbraw/zinc/86/86/40/945868640.db2.gz SGMHKYXLNHTWOQ-KZULUSFZSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)CNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573453977 945868648 /nfs/dbraw/zinc/86/86/48/945868648.db2.gz SGMHKYXLNHTWOQ-KZULUSFZSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573453976 945868898 /nfs/dbraw/zinc/86/88/98/945868898.db2.gz SGMHKYXLNHTWOQ-KPZWWZAWSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)CNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573453976 945868909 /nfs/dbraw/zinc/86/89/09/945868909.db2.gz SGMHKYXLNHTWOQ-KPZWWZAWSA-N -1 3 388.476 0.977 20 0 GCADHM O=C(NC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC001571282986 945869222 /nfs/dbraw/zinc/86/92/22/945869222.db2.gz XOLQAWPHKLOTHB-JSGCOSHPSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(NC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC001571282986 945869234 /nfs/dbraw/zinc/86/92/34/945869234.db2.gz XOLQAWPHKLOTHB-JSGCOSHPSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(CC1CCOCC1)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571282977 945869754 /nfs/dbraw/zinc/86/97/54/945869754.db2.gz WZYQQZQFOUZKHN-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(CC1CCOCC1)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571282977 945869762 /nfs/dbraw/zinc/86/97/62/945869762.db2.gz WZYQQZQFOUZKHN-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC(=O)N[C@@H](C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(C)C ZINC001573453999 945873555 /nfs/dbraw/zinc/87/35/55/945873555.db2.gz SUDDCIVJPYSMLF-CQSZACIVSA-N -1 3 383.416 0.606 20 0 GCADHM CC(=O)N[C@@H](C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(C)C ZINC001573453999 945873566 /nfs/dbraw/zinc/87/35/66/945873566.db2.gz SUDDCIVJPYSMLF-CQSZACIVSA-N -1 3 383.416 0.606 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCOC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571283005 945873741 /nfs/dbraw/zinc/87/37/41/945873741.db2.gz XVJPTZDTSTXHBE-YNEHKIRRSA-N -1 3 387.444 0.779 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCOC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571283005 945873750 /nfs/dbraw/zinc/87/37/50/945873750.db2.gz XVJPTZDTSTXHBE-YNEHKIRRSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573454320 945875875 /nfs/dbraw/zinc/87/58/75/945875875.db2.gz XMYOQPLUSODREU-SCLBCKFNSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573454320 945875892 /nfs/dbraw/zinc/87/58/92/945875892.db2.gz XMYOQPLUSODREU-SCLBCKFNSA-N -1 3 386.460 0.507 20 0 GCADHM Cc1c(Cl)c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nn1C ZINC001571283229 945880126 /nfs/dbraw/zinc/88/01/26/945880126.db2.gz CECGWZSZOBISNJ-NSHDSACASA-N -1 3 387.835 0.966 20 0 GCADHM Cc1c(Cl)c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nn1C ZINC001571283229 945880132 /nfs/dbraw/zinc/88/01/32/945880132.db2.gz CECGWZSZOBISNJ-NSHDSACASA-N -1 3 387.835 0.966 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573456054 945888852 /nfs/dbraw/zinc/88/88/52/945888852.db2.gz IJBRJPLUDOSTMG-ZDUSSCGKSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573456054 945888867 /nfs/dbraw/zinc/88/88/67/945888867.db2.gz IJBRJPLUDOSTMG-ZDUSSCGKSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573456349 945890654 /nfs/dbraw/zinc/89/06/54/945890654.db2.gz JWUHLCVIFOGWSI-LXIYXOSZSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573456349 945890669 /nfs/dbraw/zinc/89/06/69/945890669.db2.gz JWUHLCVIFOGWSI-LXIYXOSZSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573456396 945891641 /nfs/dbraw/zinc/89/16/41/945891641.db2.gz KEYZSEMISSYVKG-DYZYQPBXSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573456396 945891652 /nfs/dbraw/zinc/89/16/52/945891652.db2.gz KEYZSEMISSYVKG-DYZYQPBXSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573456316 945892052 /nfs/dbraw/zinc/89/20/52/945892052.db2.gz IVSYWMSYBPTYBH-UHFFFAOYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573456316 945892067 /nfs/dbraw/zinc/89/20/67/945892067.db2.gz IVSYWMSYBPTYBH-UHFFFAOYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573456583 945895007 /nfs/dbraw/zinc/89/50/07/945895007.db2.gz MHAHFZVJZGSIFP-UHFFFAOYSA-N -1 3 388.476 0.770 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573456583 945895020 /nfs/dbraw/zinc/89/50/20/945895020.db2.gz MHAHFZVJZGSIFP-UHFFFAOYSA-N -1 3 388.476 0.770 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCOCCNc1ncccc1-c1nnn[n-]1 ZINC001573456627 945896505 /nfs/dbraw/zinc/89/65/05/945896505.db2.gz NLQOEKCLNPJLTR-UHFFFAOYSA-N -1 3 390.448 0.063 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCOCCNc1ncccc1-c1nn[n-]n1 ZINC001573456627 945896515 /nfs/dbraw/zinc/89/65/15/945896515.db2.gz NLQOEKCLNPJLTR-UHFFFAOYSA-N -1 3 390.448 0.063 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573456630 945896814 /nfs/dbraw/zinc/89/68/14/945896814.db2.gz NNHOUPXALKKSJL-UHFFFAOYSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573456630 945896819 /nfs/dbraw/zinc/89/68/19/945896819.db2.gz NNHOUPXALKKSJL-UHFFFAOYSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573458970 945910584 /nfs/dbraw/zinc/91/05/84/945910584.db2.gz BLVGINUUWWKKOR-AWEZNQCLSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573458970 945910592 /nfs/dbraw/zinc/91/05/92/945910592.db2.gz BLVGINUUWWKKOR-AWEZNQCLSA-N -1 3 386.460 0.969 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2cnc(Cl)n2C)C1 ZINC001571285076 945911114 /nfs/dbraw/zinc/91/11/14/945911114.db2.gz YFFQDDDNWSFZAN-SNVBAGLBSA-N -1 3 387.835 1.000 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2cnc(Cl)n2C)C1 ZINC001571285076 945911120 /nfs/dbraw/zinc/91/11/20/945911120.db2.gz YFFQDDDNWSFZAN-SNVBAGLBSA-N -1 3 387.835 1.000 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001573459319 945912411 /nfs/dbraw/zinc/91/24/11/945912411.db2.gz DIKPWSWMCVKGTE-UHFFFAOYSA-N -1 3 391.407 0.754 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001573459319 945912418 /nfs/dbraw/zinc/91/24/18/945912418.db2.gz DIKPWSWMCVKGTE-UHFFFAOYSA-N -1 3 391.407 0.754 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573459292 945912845 /nfs/dbraw/zinc/91/28/45/945912845.db2.gz DFCXCYHQCUTSAQ-ZJUUUORDSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573459292 945912850 /nfs/dbraw/zinc/91/28/50/945912850.db2.gz DFCXCYHQCUTSAQ-ZJUUUORDSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573460144 945914599 /nfs/dbraw/zinc/91/45/99/945914599.db2.gz JVSIHZNALHXZNR-ZDUSSCGKSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573460144 945914608 /nfs/dbraw/zinc/91/46/08/945914608.db2.gz JVSIHZNALHXZNR-ZDUSSCGKSA-N -1 3 386.460 0.604 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)CCO1)c1cnon1 ZINC001571285381 945915626 /nfs/dbraw/zinc/91/56/26/945915626.db2.gz CJUIRAPYZJZJEU-GFCCVEGCSA-N -1 3 388.363 0.020 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1)c1cnon1 ZINC001571285381 945915633 /nfs/dbraw/zinc/91/56/33/945915633.db2.gz CJUIRAPYZJZJEU-GFCCVEGCSA-N -1 3 388.363 0.020 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C[C@H]1C(=O)OC ZINC001571285418 945915681 /nfs/dbraw/zinc/91/56/81/945915681.db2.gz DBIDKXYLQVSPTJ-VXGBXAGGSA-N -1 3 388.384 0.601 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C[C@H]1C(=O)OC ZINC001571285418 945915690 /nfs/dbraw/zinc/91/56/90/945915690.db2.gz DBIDKXYLQVSPTJ-VXGBXAGGSA-N -1 3 388.384 0.601 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573460400 945916704 /nfs/dbraw/zinc/91/67/04/945916704.db2.gz KYIRCTNTKUJZCB-QMMMGPOBSA-N -1 3 380.478 0.487 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCC(=O)NC1 ZINC001571285482 945917396 /nfs/dbraw/zinc/91/73/96/945917396.db2.gz FXSGBENSKHFNIR-GTNSWQLSSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCC(=O)NC1 ZINC001571285482 945917402 /nfs/dbraw/zinc/91/74/02/945917402.db2.gz FXSGBENSKHFNIR-GTNSWQLSSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@]1(CNc2ncc(-c3nnn[n-]3)cc2F)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001571285443 945918858 /nfs/dbraw/zinc/91/88/58/945918858.db2.gz DSTZEJPWPCMENT-SJCJKPOMSA-N -1 3 388.407 0.330 20 0 GCADHM C[C@@]1(CNc2ncc(-c3nn[n-]n3)cc2F)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001571285443 945918867 /nfs/dbraw/zinc/91/88/67/945918867.db2.gz DSTZEJPWPCMENT-SJCJKPOMSA-N -1 3 388.407 0.330 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573460878 945919523 /nfs/dbraw/zinc/91/95/23/945919523.db2.gz MUCOEZWBBXUROQ-ZJUUUORDSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573460878 945919529 /nfs/dbraw/zinc/91/95/29/945919529.db2.gz MUCOEZWBBXUROQ-ZJUUUORDSA-N -1 3 390.448 0.123 20 0 GCADHM O=C(N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)C1=CCOCC1 ZINC001571285616 945922178 /nfs/dbraw/zinc/92/21/78/945922178.db2.gz JZWPFXGLQJAAPA-HIFRSBDPSA-N -1 3 388.403 0.408 20 0 GCADHM O=C(N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)C1=CCOCC1 ZINC001571285616 945922181 /nfs/dbraw/zinc/92/21/81/945922181.db2.gz JZWPFXGLQJAAPA-HIFRSBDPSA-N -1 3 388.403 0.408 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001571285638 945922570 /nfs/dbraw/zinc/92/25/70/945922570.db2.gz KHZHWAUCSRJHAK-SSDOTTSWSA-N -1 3 388.247 0.792 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001571285638 945922576 /nfs/dbraw/zinc/92/25/76/945922576.db2.gz KHZHWAUCSRJHAK-SSDOTTSWSA-N -1 3 388.247 0.792 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571285728 945925793 /nfs/dbraw/zinc/92/57/93/945925793.db2.gz MLGHBJXZUCCQJL-GFCCVEGCSA-N -1 3 388.407 0.060 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571285728 945925803 /nfs/dbraw/zinc/92/58/03/945925803.db2.gz MLGHBJXZUCCQJL-GFCCVEGCSA-N -1 3 388.407 0.060 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571285824 945927975 /nfs/dbraw/zinc/92/79/75/945927975.db2.gz OYYWUFLJGDXIEJ-YPMHNXCESA-N -1 3 388.407 0.425 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571285824 945927984 /nfs/dbraw/zinc/92/79/84/945927984.db2.gz OYYWUFLJGDXIEJ-YPMHNXCESA-N -1 3 388.407 0.425 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001573461978 945928450 /nfs/dbraw/zinc/92/84/50/945928450.db2.gz VADWGDCBZLXXDT-UHFFFAOYSA-N -1 3 399.455 0.565 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001573461978 945928459 /nfs/dbraw/zinc/92/84/59/945928459.db2.gz VADWGDCBZLXXDT-UHFFFAOYSA-N -1 3 399.455 0.565 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(N(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573462079 945929843 /nfs/dbraw/zinc/92/98/43/945929843.db2.gz YREXESJBEJJWGI-UHFFFAOYSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(N(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573462079 945929851 /nfs/dbraw/zinc/92/98/51/945929851.db2.gz YREXESJBEJJWGI-UHFFFAOYSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573462049 945930059 /nfs/dbraw/zinc/93/00/59/945930059.db2.gz XCYMXQPRBUZUNW-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573462049 945930063 /nfs/dbraw/zinc/93/00/63/945930063.db2.gz XCYMXQPRBUZUNW-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573462103 945930542 /nfs/dbraw/zinc/93/05/42/945930542.db2.gz ZRSDAUHVNDFRPK-NSHDSACASA-N -1 3 392.489 0.583 20 0 GCADHM Cc1cnoc1C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001571285870 945931053 /nfs/dbraw/zinc/93/10/53/945931053.db2.gz PXQAUAHURXIWLI-NWDGAFQWSA-N -1 3 388.363 0.067 20 0 GCADHM Cc1cnoc1C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001571285870 945931060 /nfs/dbraw/zinc/93/10/60/945931060.db2.gz PXQAUAHURXIWLI-NWDGAFQWSA-N -1 3 388.363 0.067 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573462128 945932688 /nfs/dbraw/zinc/93/26/88/945932688.db2.gz AIDYBQZOEZUVKX-GFCCVEGCSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573462128 945932691 /nfs/dbraw/zinc/93/26/91/945932691.db2.gz AIDYBQZOEZUVKX-GFCCVEGCSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573462122 945932745 /nfs/dbraw/zinc/93/27/45/945932745.db2.gz AFJGZHOMMRBSKD-JSGCOSHPSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573462122 945932750 /nfs/dbraw/zinc/93/27/50/945932750.db2.gz AFJGZHOMMRBSKD-JSGCOSHPSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CCC1 ZINC001573462252 945933783 /nfs/dbraw/zinc/93/37/83/945933783.db2.gz FCIBFOASPKQFEO-UHFFFAOYSA-N -1 3 392.489 0.997 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573462476 945941718 /nfs/dbraw/zinc/94/17/18/945941718.db2.gz KENYBQVABSYBSC-MRVPVSSYSA-N -1 3 380.478 0.487 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573462934 945947481 /nfs/dbraw/zinc/94/74/81/945947481.db2.gz PDSCAVGSJPREKR-SNVBAGLBSA-N -1 3 377.424 0.861 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573462934 945947484 /nfs/dbraw/zinc/94/74/84/945947484.db2.gz PDSCAVGSJPREKR-SNVBAGLBSA-N -1 3 377.424 0.861 20 0 GCADHM O=C(CN1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1)Nc1sccc1-c1nnn[n-]1 ZINC001571286520 945951006 /nfs/dbraw/zinc/95/10/06/945951006.db2.gz JVZQKPUDILNFKN-MRVPVSSYSA-N -1 3 388.413 0.557 20 0 GCADHM O=C(CN1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1)Nc1sccc1-c1nn[n-]n1 ZINC001571286520 945951016 /nfs/dbraw/zinc/95/10/16/945951016.db2.gz JVZQKPUDILNFKN-MRVPVSSYSA-N -1 3 388.413 0.557 20 0 GCADHM CC(C)(C)OC(=O)N1CC(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571286523 945951111 /nfs/dbraw/zinc/95/11/11/945951111.db2.gz JXIFDSUVPILHJC-UHFFFAOYSA-N -1 3 388.432 0.657 20 0 GCADHM CC(C)(C)OC(=O)N1CC(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571286523 945951120 /nfs/dbraw/zinc/95/11/20/945951120.db2.gz JXIFDSUVPILHJC-UHFFFAOYSA-N -1 3 388.432 0.657 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573463186 945951174 /nfs/dbraw/zinc/95/11/74/945951174.db2.gz SLJJKKYGLKENAT-GFCCVEGCSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573463186 945951186 /nfs/dbraw/zinc/95/11/86/945951186.db2.gz SLJJKKYGLKENAT-GFCCVEGCSA-N -1 3 389.435 0.863 20 0 GCADHM CCOC(=O)[C@H](C[C@@H]1CCCO1)N[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571286574 945953439 /nfs/dbraw/zinc/95/34/39/945953439.db2.gz LIUGYIBNGHPBFB-KKUMJFAQSA-N -1 3 388.428 0.484 20 0 GCADHM CCOC(=O)[C@H](C[C@@H]1CCCO1)N[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571286574 945953444 /nfs/dbraw/zinc/95/34/44/945953444.db2.gz LIUGYIBNGHPBFB-KKUMJFAQSA-N -1 3 388.428 0.484 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573463512 945956217 /nfs/dbraw/zinc/95/62/17/945956217.db2.gz XWTFZJUHTPTSJT-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573463512 945956221 /nfs/dbraw/zinc/95/62/21/945956221.db2.gz XWTFZJUHTPTSJT-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573463499 945956685 /nfs/dbraw/zinc/95/66/85/945956685.db2.gz XKUPLEJAQOJKQM-CYBMUJFWSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573463499 945956695 /nfs/dbraw/zinc/95/66/95/945956695.db2.gz XKUPLEJAQOJKQM-CYBMUJFWSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573463600 945959233 /nfs/dbraw/zinc/95/92/33/945959233.db2.gz YRMYAZUYOUVEKX-NSHDSACASA-N -1 3 391.451 0.857 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573463600 945959237 /nfs/dbraw/zinc/95/92/37/945959237.db2.gz YRMYAZUYOUVEKX-NSHDSACASA-N -1 3 391.451 0.857 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001573463745 945960916 /nfs/dbraw/zinc/96/09/16/945960916.db2.gz ADUYQWOKOSLGLN-DGCLKSJQSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001573463745 945960920 /nfs/dbraw/zinc/96/09/20/945960920.db2.gz ADUYQWOKOSLGLN-DGCLKSJQSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573463787 945961768 /nfs/dbraw/zinc/96/17/68/945961768.db2.gz BICHALSZAWNSFR-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573463787 945961778 /nfs/dbraw/zinc/96/17/78/945961778.db2.gz BICHALSZAWNSFR-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM O=C(N[C@H]1C[C@H](CNC(=O)c2csc(=O)[nH]2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571286892 945962982 /nfs/dbraw/zinc/96/29/82/945962982.db2.gz USNLJTGEVCFRQN-XWEPSHTISA-N -1 3 388.413 0.295 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573464212 945963603 /nfs/dbraw/zinc/96/36/03/945963603.db2.gz HTKJHUBZGALMFL-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573464212 945963613 /nfs/dbraw/zinc/96/36/13/945963613.db2.gz HTKJHUBZGALMFL-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573463991 945964745 /nfs/dbraw/zinc/96/47/45/945964745.db2.gz FNWANEAUEBYWIW-ZDUSSCGKSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573463991 945964756 /nfs/dbraw/zinc/96/47/56/945964756.db2.gz FNWANEAUEBYWIW-ZDUSSCGKSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573464273 945964842 /nfs/dbraw/zinc/96/48/42/945964842.db2.gz IVAAAMXGFZANEO-JOCQHMNTSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573464273 945964851 /nfs/dbraw/zinc/96/48/51/945964851.db2.gz IVAAAMXGFZANEO-JOCQHMNTSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573464987 945971337 /nfs/dbraw/zinc/97/13/37/945971337.db2.gz UHAJPVJENQFHOK-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573464987 945971345 /nfs/dbraw/zinc/97/13/45/945971345.db2.gz UHAJPVJENQFHOK-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573467807 945986222 /nfs/dbraw/zinc/98/62/22/945986222.db2.gz IKKRFWFPXMAKOU-NSHDSACASA-N -1 3 390.448 0.028 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573467807 945986233 /nfs/dbraw/zinc/98/62/33/945986233.db2.gz IKKRFWFPXMAKOU-NSHDSACASA-N -1 3 390.448 0.028 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573468032 945989471 /nfs/dbraw/zinc/98/94/71/945989471.db2.gz KGANBXGZFRZCPS-SMDDNHRTSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001573468216 945990230 /nfs/dbraw/zinc/99/02/30/945990230.db2.gz LVAXEUSCVASFKB-HBYGRHMLSA-N -1 3 387.419 0.471 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001573468216 945990238 /nfs/dbraw/zinc/99/02/38/945990238.db2.gz LVAXEUSCVASFKB-HBYGRHMLSA-N -1 3 387.419 0.471 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573468359 945993674 /nfs/dbraw/zinc/99/36/74/945993674.db2.gz NDAXZZDDUMRWBK-IUCAKERBSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573468359 945993681 /nfs/dbraw/zinc/99/36/81/945993681.db2.gz NDAXZZDDUMRWBK-IUCAKERBSA-N -1 3 380.840 0.699 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822210942 945995732 /nfs/dbraw/zinc/99/57/32/945995732.db2.gz XWHSROJGHBSTHL-NSHDSACASA-N -1 3 398.379 0.785 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822210942 945995742 /nfs/dbraw/zinc/99/57/42/945995742.db2.gz XWHSROJGHBSTHL-NSHDSACASA-N -1 3 398.379 0.785 20 0 GCADHM Cc1cc(CN2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)sn1 ZINC001571289469 946007013 /nfs/dbraw/zinc/00/70/13/946007013.db2.gz FNJJPXOWVIKPHG-GFCCVEGCSA-N -1 3 388.457 0.591 20 0 GCADHM Cc1cc(CN2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)sn1 ZINC001571289469 946007025 /nfs/dbraw/zinc/00/70/25/946007025.db2.gz FNJJPXOWVIKPHG-GFCCVEGCSA-N -1 3 388.457 0.591 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573469832 946010749 /nfs/dbraw/zinc/01/07/49/946010749.db2.gz XUMWZRRDJQXMSR-ONGXEEELSA-N -1 3 378.462 0.193 20 0 GCADHM COc1cc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)nn1C ZINC001571289574 946011664 /nfs/dbraw/zinc/01/16/64/946011664.db2.gz HZLDCKBTFTZBLY-UHFFFAOYSA-N -1 3 388.457 0.628 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573469930 946013359 /nfs/dbraw/zinc/01/33/59/946013359.db2.gz AENGOCUWJMJYJE-MWLCHTKSSA-N -1 3 378.462 0.193 20 0 GCADHM COc1nscc1CN1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571289655 946014287 /nfs/dbraw/zinc/01/42/87/946014287.db2.gz JMAASXIAOAZZLN-JTQLQIEISA-N -1 3 388.457 0.912 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470004 946014429 /nfs/dbraw/zinc/01/44/29/946014429.db2.gz ASMSYGGBTFMVDY-CMPLNLGQSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470004 946014446 /nfs/dbraw/zinc/01/44/46/946014446.db2.gz ASMSYGGBTFMVDY-CMPLNLGQSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573469924 946014862 /nfs/dbraw/zinc/01/48/62/946014862.db2.gz AEHSTARCAXIPSO-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573469924 946014872 /nfs/dbraw/zinc/01/48/72/946014872.db2.gz AEHSTARCAXIPSO-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573470113 946016490 /nfs/dbraw/zinc/01/64/90/946016490.db2.gz BGKBLVSMBXIQMZ-LBPRGKRZSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573470113 946016500 /nfs/dbraw/zinc/01/65/00/946016500.db2.gz BGKBLVSMBXIQMZ-LBPRGKRZSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573470345 946021940 /nfs/dbraw/zinc/02/19/40/946021940.db2.gz DAVUCEXUBQZNEW-KPZWWZAWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470345 946021953 /nfs/dbraw/zinc/02/19/53/946021953.db2.gz DAVUCEXUBQZNEW-KPZWWZAWSA-N -1 3 386.460 0.745 20 0 GCADHM Cc1nsc(N[C@H]2CCN(C(=O)CCc3cnn(C)n3)C2)c1-c1nnn[n-]1 ZINC001571290062 946027707 /nfs/dbraw/zinc/02/77/07/946027707.db2.gz ULCDEVKJGCYWIV-NSHDSACASA-N -1 3 388.461 0.406 20 0 GCADHM CCN(C(=O)c1cn(C)nn1)[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001571290126 946029058 /nfs/dbraw/zinc/02/90/58/946029058.db2.gz VSGUIHXIEKGELX-SNVBAGLBSA-N -1 3 388.461 0.501 20 0 GCADHM Cn1nccc1C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290150 946030299 /nfs/dbraw/zinc/03/02/99/946030299.db2.gz WEPQNXNQCCMVEK-NSHDSACASA-N -1 3 388.457 0.293 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573470597 946030585 /nfs/dbraw/zinc/03/05/85/946030585.db2.gz HPDJFGCXQBJBER-ZYHUDNBSSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573470597 946030596 /nfs/dbraw/zinc/03/05/96/946030596.db2.gz HPDJFGCXQBJBER-ZYHUDNBSSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573470682 946032445 /nfs/dbraw/zinc/03/24/45/946032445.db2.gz IOWNKTMWFRJMCP-GXTWGEPZSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470682 946032460 /nfs/dbraw/zinc/03/24/60/946032460.db2.gz IOWNKTMWFRJMCP-GXTWGEPZSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573470683 946033149 /nfs/dbraw/zinc/03/31/49/946033149.db2.gz IOWNKTMWFRJMCP-JSGCOSHPSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470683 946033157 /nfs/dbraw/zinc/03/31/57/946033157.db2.gz IOWNKTMWFRJMCP-JSGCOSHPSA-N -1 3 386.460 0.379 20 0 GCADHM CO[C@@H]1CN(Cc2csc(C)n2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571290250 946035992 /nfs/dbraw/zinc/03/59/92/946035992.db2.gz YOMDNWAFUQJIMV-ZIAGYGMSSA-N -1 3 388.457 0.589 20 0 GCADHM CO[C@@H]1CN(Cc2csc(C)n2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571290250 946036003 /nfs/dbraw/zinc/03/60/03/946036003.db2.gz YOMDNWAFUQJIMV-ZIAGYGMSSA-N -1 3 388.457 0.589 20 0 GCADHM Cc1nsc(N2CCCO[C@@H](CNC(=O)c3cc[nH]c3)C2)c1-c1nnn[n-]1 ZINC001571290279 946036185 /nfs/dbraw/zinc/03/61/85/946036185.db2.gz ZGPZDMGUINKTSQ-LBPRGKRZSA-N -1 3 388.457 0.985 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573470897 946036755 /nfs/dbraw/zinc/03/67/55/946036755.db2.gz KOYPHMCSOPLFBI-VIFPVBQESA-N -1 3 378.462 0.559 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573471012 946038768 /nfs/dbraw/zinc/03/87/68/946038768.db2.gz LRPWXXAMZFPRGB-JSGCOSHPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573471012 946038779 /nfs/dbraw/zinc/03/87/79/946038779.db2.gz LRPWXXAMZFPRGB-JSGCOSHPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(C)(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573471117 946044182 /nfs/dbraw/zinc/04/41/82/946044182.db2.gz MGYYKCYJMQEAHZ-SNVBAGLBSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(C)(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573471117 946044200 /nfs/dbraw/zinc/04/42/00/946044200.db2.gz MGYYKCYJMQEAHZ-SNVBAGLBSA-N -1 3 390.423 0.718 20 0 GCADHM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571290522 946045558 /nfs/dbraw/zinc/04/55/58/946045558.db2.gz HXPXJZIIDDBOJL-QMMMGPOBSA-N -1 3 388.837 0.031 20 0 GCADHM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571290522 946045570 /nfs/dbraw/zinc/04/55/70/946045570.db2.gz HXPXJZIIDDBOJL-QMMMGPOBSA-N -1 3 388.837 0.031 20 0 GCADHM C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571290641 946051767 /nfs/dbraw/zinc/05/17/67/946051767.db2.gz KQXNPQRBROGWBK-KWQFWETISA-N -1 3 388.823 0.616 20 0 GCADHM C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571290641 946051779 /nfs/dbraw/zinc/05/17/79/946051779.db2.gz KQXNPQRBROGWBK-KWQFWETISA-N -1 3 388.823 0.616 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573471455 946053514 /nfs/dbraw/zinc/05/35/14/946053514.db2.gz PAQWFQQJEJRSNL-TZMCWYRMSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573471455 946053527 /nfs/dbraw/zinc/05/35/27/946053527.db2.gz PAQWFQQJEJRSNL-TZMCWYRMSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573472134 946057451 /nfs/dbraw/zinc/05/74/51/946057451.db2.gz SRCGQUCZTSDNQS-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573472134 946057461 /nfs/dbraw/zinc/05/74/61/946057461.db2.gz SRCGQUCZTSDNQS-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573472405 946066256 /nfs/dbraw/zinc/06/62/56/946066256.db2.gz WHZFCTPAUDUSBV-VIFPVBQESA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573472405 946066267 /nfs/dbraw/zinc/06/62/67/946066267.db2.gz WHZFCTPAUDUSBV-VIFPVBQESA-N -1 3 392.851 0.843 20 0 GCADHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C(=O)NCC12CCOCC2 ZINC001571291248 946071222 /nfs/dbraw/zinc/07/12/22/946071222.db2.gz HDUHLLHARYINQU-ZDUSSCGKSA-N -1 3 389.391 0.731 20 0 GCADHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C(=O)NCC12CCOCC2 ZINC001571291248 946071229 /nfs/dbraw/zinc/07/12/29/946071229.db2.gz HDUHLLHARYINQU-ZDUSSCGKSA-N -1 3 389.391 0.731 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573473003 946073396 /nfs/dbraw/zinc/07/33/96/946073396.db2.gz ZAGYJIGAHJBTAR-SKDRFNHKSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573473003 946073405 /nfs/dbraw/zinc/07/34/05/946073405.db2.gz ZAGYJIGAHJBTAR-SKDRFNHKSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573473196 946076621 /nfs/dbraw/zinc/07/66/21/946076621.db2.gz AQCMSWQHEFVUPH-NXEZZACHSA-N -1 3 377.474 0.389 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573473145 946077418 /nfs/dbraw/zinc/07/74/18/946077418.db2.gz ZNIZJVMEVTUGRH-DGCLKSJQSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573473145 946077429 /nfs/dbraw/zinc/07/74/29/946077429.db2.gz ZNIZJVMEVTUGRH-DGCLKSJQSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573473144 946077715 /nfs/dbraw/zinc/07/77/15/946077715.db2.gz ZNIZJVMEVTUGRH-AAEUAGOBSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573473144 946077724 /nfs/dbraw/zinc/07/77/24/946077724.db2.gz ZNIZJVMEVTUGRH-AAEUAGOBSA-N -1 3 389.435 0.958 20 0 GCADHM Cc1cnc(CN2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000822389414 946079145 /nfs/dbraw/zinc/07/91/45/946079145.db2.gz VGOREAFSBWJNBZ-UHFFFAOYSA-N -1 3 389.441 0.670 20 0 GCADHM Cc1cnc(CN2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000822389414 946079160 /nfs/dbraw/zinc/07/91/60/946079160.db2.gz VGOREAFSBWJNBZ-UHFFFAOYSA-N -1 3 389.441 0.670 20 0 GCADHM COc1ncc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1-c1nnn[n-]1 ZINC001571291627 946079573 /nfs/dbraw/zinc/07/95/73/946079573.db2.gz NBWYBVBICVJXAN-UHFFFAOYSA-N -1 3 389.397 0.894 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573473461 946080304 /nfs/dbraw/zinc/08/03/04/946080304.db2.gz CMARBBJYANLRAP-LKTVYLICSA-N -1 3 387.419 0.316 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573473461 946080306 /nfs/dbraw/zinc/08/03/06/946080306.db2.gz CMARBBJYANLRAP-LKTVYLICSA-N -1 3 387.419 0.316 20 0 GCADHM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001571291632 946080669 /nfs/dbraw/zinc/08/06/69/946080669.db2.gz NITXPJXAUSEDPQ-UHFFFAOYSA-N -1 3 389.397 0.518 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001573473930 946083294 /nfs/dbraw/zinc/08/32/94/946083294.db2.gz GMSZNXHADZKYJG-DETPVDSQSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001573473930 946083305 /nfs/dbraw/zinc/08/33/05/946083305.db2.gz GMSZNXHADZKYJG-DETPVDSQSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573473822 946083594 /nfs/dbraw/zinc/08/35/94/946083594.db2.gz FRWVPNYCKURGMP-SCDSUCTJSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573473822 946083611 /nfs/dbraw/zinc/08/36/11/946083611.db2.gz FRWVPNYCKURGMP-SCDSUCTJSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573473945 946086408 /nfs/dbraw/zinc/08/64/08/946086408.db2.gz GWFYCBZYCAYQRK-LBPRGKRZSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573473945 946086421 /nfs/dbraw/zinc/08/64/21/946086421.db2.gz GWFYCBZYCAYQRK-LBPRGKRZSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573473944 946086819 /nfs/dbraw/zinc/08/68/19/946086819.db2.gz GWFYCBZYCAYQRK-GFCCVEGCSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573473944 946086832 /nfs/dbraw/zinc/08/68/32/946086832.db2.gz GWFYCBZYCAYQRK-GFCCVEGCSA-N -1 3 389.435 0.565 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@H]3Cc4ccccc43)C[C@H]21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571292137 946089344 /nfs/dbraw/zinc/08/93/44/946089344.db2.gz UGKIOJGVKTYDLL-LJIGWXMPSA-N -1 3 389.419 0.721 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@H]3Cc4ccccc43)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571292137 946089357 /nfs/dbraw/zinc/08/93/57/946089357.db2.gz UGKIOJGVKTYDLL-LJIGWXMPSA-N -1 3 389.419 0.721 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000822439499 946092926 /nfs/dbraw/zinc/09/29/26/946092926.db2.gz BROFWUXVLPKMKJ-OAHLLOKOSA-N -1 3 397.443 0.703 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001571293116 946096869 /nfs/dbraw/zinc/09/68/69/946096869.db2.gz ABPKTWRVTAAHNB-UMVBOHGHSA-N -1 3 389.460 0.880 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001571293116 946096881 /nfs/dbraw/zinc/09/68/81/946096881.db2.gz ABPKTWRVTAAHNB-UMVBOHGHSA-N -1 3 389.460 0.880 20 0 GCADHM CO[C@H](C)c1nsc(N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571293170 946097347 /nfs/dbraw/zinc/09/73/47/946097347.db2.gz ASKIBKCIRIEEHG-SCZZXKLOSA-N -1 3 389.445 0.762 20 0 GCADHM CO[C@H](C)c1nsc(N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571293170 946097360 /nfs/dbraw/zinc/09/73/60/946097360.db2.gz ASKIBKCIRIEEHG-SCZZXKLOSA-N -1 3 389.445 0.762 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C[C@H]2O)co1 ZINC001571293205 946098548 /nfs/dbraw/zinc/09/85/48/946098548.db2.gz BBXUXPRFASJROL-VXGBXAGGSA-N -1 3 389.441 0.903 20 0 GCADHM Cc1nsc(NC2CC(CNC(=O)c3cn(C)c(=O)[nH]3)C2)c1-c1nnn[n-]1 ZINC001571293275 946101488 /nfs/dbraw/zinc/10/14/88/946101488.db2.gz CYYXWHZAVCUSSP-UHFFFAOYSA-N -1 3 389.445 0.691 20 0 GCADHM Cc1nsc(NC2CC(CNC(=O)c3cn(C)c(=O)[nH]3)C2)c1-c1nn[n-]n1 ZINC001571293275 946101490 /nfs/dbraw/zinc/10/14/90/946101490.db2.gz CYYXWHZAVCUSSP-UHFFFAOYSA-N -1 3 389.445 0.691 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@]2(C)C1 ZINC001573475741 946104941 /nfs/dbraw/zinc/10/49/41/946104941.db2.gz XBJKCKBORKEYGN-SRBZOADZSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@]2(C)C1 ZINC001573475741 946104949 /nfs/dbraw/zinc/10/49/49/946104949.db2.gz XBJKCKBORKEYGN-SRBZOADZSA-N -1 3 384.444 0.071 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001571293418 946105321 /nfs/dbraw/zinc/10/53/21/946105321.db2.gz HWRQQLNCYMBVGG-NSHDSACASA-N -1 3 389.441 0.921 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001571293418 946105325 /nfs/dbraw/zinc/10/53/25/946105325.db2.gz HWRQQLNCYMBVGG-NSHDSACASA-N -1 3 389.441 0.921 20 0 GCADHM CCC(CC)C(=O)N1CCO[C@H]([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571293575 946108625 /nfs/dbraw/zinc/10/86/25/946108625.db2.gz LPCCBVCYMHMCST-NHYWBVRUSA-N -1 3 389.460 0.977 20 0 GCADHM CCC(CC)C(=O)N1CCO[C@H]([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571293575 946108631 /nfs/dbraw/zinc/10/86/31/946108631.db2.gz LPCCBVCYMHMCST-NHYWBVRUSA-N -1 3 389.460 0.977 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573476060 946111531 /nfs/dbraw/zinc/11/15/31/946111531.db2.gz YLWMMESUTURYDC-DLOVCJGASA-N -1 3 375.458 0.238 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)s1 ZINC001573476060 946111541 /nfs/dbraw/zinc/11/15/41/946111541.db2.gz YLWMMESUTURYDC-DLOVCJGASA-N -1 3 375.458 0.238 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)[C@H](C)C1 ZINC001573476110 946114203 /nfs/dbraw/zinc/11/42/03/946114203.db2.gz ZHOYUEZXHBNGDR-SCDSUCTJSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)[C@H](C)C1 ZINC001573476110 946114210 /nfs/dbraw/zinc/11/42/10/946114210.db2.gz ZHOYUEZXHBNGDR-SCDSUCTJSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573476150 946114631 /nfs/dbraw/zinc/11/46/31/946114631.db2.gz ZZYXJRHDMZUFKA-GXSJLCMTSA-N -1 3 378.462 0.559 20 0 GCADHM CCc1cc(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)nn1C ZINC001571293752 946116042 /nfs/dbraw/zinc/11/60/42/946116042.db2.gz QNWFMNXDCTYHCX-UHFFFAOYSA-N -1 3 389.441 0.716 20 0 GCADHM Cc1nsc(N2CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)n1 ZINC000822531169 946116218 /nfs/dbraw/zinc/11/62/18/946116218.db2.gz VWHNHIDXMBJQTF-UHFFFAOYSA-N -1 3 391.486 0.849 20 0 GCADHM Cc1nsc(N2CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)n1 ZINC000822531169 946116224 /nfs/dbraw/zinc/11/62/24/946116224.db2.gz VWHNHIDXMBJQTF-UHFFFAOYSA-N -1 3 391.486 0.849 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN(c3cnn(C)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000822541848 946118561 /nfs/dbraw/zinc/11/85/61/946118561.db2.gz RGAHSTIGDPROCH-GFCCVEGCSA-N -1 3 399.459 0.959 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573476464 946119078 /nfs/dbraw/zinc/11/90/78/946119078.db2.gz HDDWKFBLHMAWKG-UHEGKEBESA-N -1 3 390.423 0.765 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573476464 946119089 /nfs/dbraw/zinc/11/90/89/946119089.db2.gz HDDWKFBLHMAWKG-UHEGKEBESA-N -1 3 390.423 0.765 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573476387 946119446 /nfs/dbraw/zinc/11/94/46/946119446.db2.gz GEPOZUUCQPXZGJ-JTQLQIEISA-N -1 3 392.489 0.997 20 0 GCADHM Cc1ncc(C(=O)NC[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)CCO2)[nH]1 ZINC001571293945 946120588 /nfs/dbraw/zinc/12/05/88/946120588.db2.gz WRRPLOUMULOGJU-SNVBAGLBSA-N -1 3 389.445 0.298 20 0 GCADHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC001571293942 946121115 /nfs/dbraw/zinc/12/11/15/946121115.db2.gz WRORXUZLUXGYCE-SECBINFHSA-N -1 3 389.434 0.027 20 0 GCADHM O=C(C1=CS(=O)(=O)CCC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001571293978 946122676 /nfs/dbraw/zinc/12/26/76/946122676.db2.gz XJEVPXXOZUJKCT-OAHLLOKOSA-N -1 3 389.437 0.859 20 0 GCADHM O=C(C1=CS(=O)(=O)CCC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001571293978 946122683 /nfs/dbraw/zinc/12/26/83/946122683.db2.gz XJEVPXXOZUJKCT-OAHLLOKOSA-N -1 3 389.437 0.859 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573476704 946123699 /nfs/dbraw/zinc/12/36/99/946123699.db2.gz IWZIIEHLZJNWIF-ZWNOBZJWSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573476704 946123706 /nfs/dbraw/zinc/12/37/06/946123706.db2.gz IWZIIEHLZJNWIF-ZWNOBZJWSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573476716 946123889 /nfs/dbraw/zinc/12/38/89/946123889.db2.gz IXYYGBCEVFKCBI-IAQYHMDHSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573476716 946123896 /nfs/dbraw/zinc/12/38/96/946123896.db2.gz IXYYGBCEVFKCBI-IAQYHMDHSA-N -1 3 389.435 0.611 20 0 GCADHM Cc1sc(NC(=O)CN2CCN(C[C@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000822558508 946126218 /nfs/dbraw/zinc/12/62/18/946126218.db2.gz PVUOTAZTESCEOQ-JTQLQIEISA-N -1 3 379.490 0.482 20 0 GCADHM O=C(NCc1cncc(-c2nnn[n-]2)c1)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001571294224 946128997 /nfs/dbraw/zinc/12/89/97/946128997.db2.gz BJZPNJKCHACONW-NXEZZACHSA-N -1 3 390.347 0.101 20 0 GCADHM O=C(NCc1cncc(-c2nn[n-]n2)c1)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001571294224 946129006 /nfs/dbraw/zinc/12/90/06/946129006.db2.gz BJZPNJKCHACONW-NXEZZACHSA-N -1 3 390.347 0.101 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573477257 946130223 /nfs/dbraw/zinc/13/02/23/946130223.db2.gz NMJGCKFFGRXANT-GFCCVEGCSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573477257 946130227 /nfs/dbraw/zinc/13/02/27/946130227.db2.gz NMJGCKFFGRXANT-GFCCVEGCSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573477265 946133010 /nfs/dbraw/zinc/13/30/10/946133010.db2.gz NMSAXBAPUSEBNJ-PSZVPEGOSA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573477265 946133015 /nfs/dbraw/zinc/13/30/15/946133015.db2.gz NMSAXBAPUSEBNJ-PSZVPEGOSA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573477262 946133026 /nfs/dbraw/zinc/13/30/26/946133026.db2.gz NMPYYPXISBSKBY-SKDRFNHKSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573477262 946133031 /nfs/dbraw/zinc/13/30/31/946133031.db2.gz NMPYYPXISBSKBY-SKDRFNHKSA-N -1 3 392.851 0.525 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3cc(-c4nn[n-]n4)ccc3F)cnc21 ZINC000822591536 946133755 /nfs/dbraw/zinc/13/37/55/946133755.db2.gz UIVHMLVAADAQFO-UHFFFAOYSA-N -1 3 397.326 0.710 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NCc1nn(C)cc1Cl ZINC001571294668 946141578 /nfs/dbraw/zinc/14/15/78/946141578.db2.gz LLDBZNYBEYMDSQ-YMTOWFKASA-N -1 3 389.851 0.832 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NCc1nn(C)cc1Cl ZINC001571294668 946141585 /nfs/dbraw/zinc/14/15/85/946141585.db2.gz LLDBZNYBEYMDSQ-YMTOWFKASA-N -1 3 389.851 0.832 20 0 GCADHM Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(Cl)n1 ZINC001571294878 946147968 /nfs/dbraw/zinc/14/79/68/946147968.db2.gz OUCVFQVAWZRVKI-MRVPVSSYSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(Cl)n1 ZINC001571294878 946147973 /nfs/dbraw/zinc/14/79/73/946147973.db2.gz OUCVFQVAWZRVKI-MRVPVSSYSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)[nH]c1=O ZINC001571294980 946150423 /nfs/dbraw/zinc/15/04/23/946150423.db2.gz RLIJZEGJXHMMBU-DTORHVGOSA-N -1 3 389.807 0.727 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001573478581 946150577 /nfs/dbraw/zinc/15/05/77/946150577.db2.gz XIMXMCMZPIBPJA-SMDDNHRTSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001573478581 946150586 /nfs/dbraw/zinc/15/05/86/946150586.db2.gz XIMXMCMZPIBPJA-SMDDNHRTSA-N -1 3 386.460 0.507 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571295090 946152377 /nfs/dbraw/zinc/15/23/77/946152377.db2.gz SOJKLIJCXPRFAX-CABZTGNLSA-N -1 3 390.379 0.160 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571295090 946152383 /nfs/dbraw/zinc/15/23/83/946152383.db2.gz SOJKLIJCXPRFAX-CABZTGNLSA-N -1 3 390.379 0.160 20 0 GCADHM Cn1cc(O)c(=O)cc1CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000822684547 946155537 /nfs/dbraw/zinc/15/55/37/946155537.db2.gz ATNLTTVRCXERKD-UHFFFAOYSA-N -1 3 386.437 0.821 20 0 GCADHM Cn1cc(O)c(=O)cc1CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822684547 946155542 /nfs/dbraw/zinc/15/55/42/946155542.db2.gz ATNLTTVRCXERKD-UHFFFAOYSA-N -1 3 386.437 0.821 20 0 GCADHM Cn1cc(N2CCN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)CC2)cn1 ZINC000822685027 946155922 /nfs/dbraw/zinc/15/59/22/946155922.db2.gz QJFPYKYXRZBPNU-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM Cn1cc(N2CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000822680904 946156280 /nfs/dbraw/zinc/15/62/80/946156280.db2.gz QVZQVLQUVRRTBT-UHFFFAOYSA-N -1 3 381.400 0.159 20 0 GCADHM Cn1cc(N2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822680904 946156284 /nfs/dbraw/zinc/15/62/84/946156284.db2.gz QVZQVLQUVRRTBT-UHFFFAOYSA-N -1 3 381.400 0.159 20 0 GCADHM Cn1cc(N2CCN([C@@H]3CCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CC2)cn1 ZINC000822685443 946157514 /nfs/dbraw/zinc/15/75/14/946157514.db2.gz ZYDAKQKDMIYQRH-QGZVFWFLSA-N -1 3 393.455 0.528 20 0 GCADHM C[C@@H]1C[C@H](NCc2nn(C)cc2Cl)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571295293 946159583 /nfs/dbraw/zinc/15/95/83/946159583.db2.gz WQJRLDXLPFUQFO-KOLCDFICSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@@H]1C[C@H](NCc2nn(C)cc2Cl)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571295293 946159588 /nfs/dbraw/zinc/15/95/88/946159588.db2.gz WQJRLDXLPFUQFO-KOLCDFICSA-N -1 3 389.851 0.975 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571295459 946163736 /nfs/dbraw/zinc/16/37/36/946163736.db2.gz UAQDEUQFPFLHQQ-WCQYABFASA-N -1 3 389.485 0.630 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O)C1CCOCC1 ZINC001571295729 946172699 /nfs/dbraw/zinc/17/26/99/946172699.db2.gz DJGZNJYQXCRKFX-HZPDHXFCSA-N -1 3 390.419 0.094 20 0 GCADHM CC(C)(C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)S(C)(=O)=O ZINC001571295766 946175374 /nfs/dbraw/zinc/17/53/74/946175374.db2.gz FJJBDEHEKKZIOJ-UHFFFAOYSA-N -1 3 390.429 0.268 20 0 GCADHM CC(C)(C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)S(C)(=O)=O ZINC001571295766 946175381 /nfs/dbraw/zinc/17/53/81/946175381.db2.gz FJJBDEHEKKZIOJ-UHFFFAOYSA-N -1 3 390.429 0.268 20 0 GCADHM Cc1nsc(NC[C@@H]2CN(C(=O)c3cocn3)CCCO2)c1-c1nnn[n-]1 ZINC001571295851 946177352 /nfs/dbraw/zinc/17/73/52/946177352.db2.gz HNKGBGXSKSBONX-SNVBAGLBSA-N -1 3 390.429 0.963 20 0 GCADHM Cc1ccc(CNC(=O)NCC2(OCCO)CCOCC2)cc1-c1nnn[n-]1 ZINC001571295908 946178936 /nfs/dbraw/zinc/17/89/36/946178936.db2.gz JABGUHRWEPOHFZ-UHFFFAOYSA-N -1 3 390.444 0.532 20 0 GCADHM Cc1ccc(CNC(=O)NCC2(OCCO)CCOCC2)cc1-c1nn[n-]n1 ZINC001571295908 946178943 /nfs/dbraw/zinc/17/89/43/946178943.db2.gz JABGUHRWEPOHFZ-UHFFFAOYSA-N -1 3 390.444 0.532 20 0 GCADHM Cc1conc1C(=O)N1CCO[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571295945 946180273 /nfs/dbraw/zinc/18/02/73/946180273.db2.gz KCHYEAIAIWYZMF-SNVBAGLBSA-N -1 3 390.429 0.881 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C[C@H]2O)CCOC1 ZINC001571296096 946184923 /nfs/dbraw/zinc/18/49/23/946184923.db2.gz NNBLVGGITMSZHR-IIDMSEBBSA-N -1 3 390.419 0.094 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573481850 946186824 /nfs/dbraw/zinc/18/68/24/946186824.db2.gz SBWZXISNNUOQFW-KZULUSFZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573481850 946186832 /nfs/dbraw/zinc/18/68/32/946186832.db2.gz SBWZXISNNUOQFW-KZULUSFZSA-N -1 3 386.460 0.509 20 0 GCADHM Cc1noc(C[C@H]2CCCN(S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)C2)n1 ZINC001571296223 946189532 /nfs/dbraw/zinc/18/95/32/946189532.db2.gz RENUOIVRIHZXAS-LLVKDONJSA-N -1 3 390.429 0.597 20 0 GCADHM Cc1noc(C[C@H]2CCCN(S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)C2)n1 ZINC001571296223 946189540 /nfs/dbraw/zinc/18/95/40/946189540.db2.gz RENUOIVRIHZXAS-LLVKDONJSA-N -1 3 390.429 0.597 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573482302 946194252 /nfs/dbraw/zinc/19/42/52/946194252.db2.gz WHLWGCDXZZUBLK-JSGCOSHPSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573482302 946194259 /nfs/dbraw/zinc/19/42/59/946194259.db2.gz WHLWGCDXZZUBLK-JSGCOSHPSA-N -1 3 386.460 0.427 20 0 GCADHM CCn1cc(CNC(=O)N(C)Cc2cc(-c3nnn[n-]3)cs2)c(=O)[nH]c1=O ZINC001571296523 946196268 /nfs/dbraw/zinc/19/62/68/946196268.db2.gz ZXOBFTFUYBRXRD-UHFFFAOYSA-N -1 3 390.429 0.552 20 0 GCADHM CCn1cc(CNC(=O)N(C)Cc2cc(-c3nn[n-]n3)cs2)c(=O)[nH]c1=O ZINC001571296523 946196273 /nfs/dbraw/zinc/19/62/73/946196273.db2.gz ZXOBFTFUYBRXRD-UHFFFAOYSA-N -1 3 390.429 0.552 20 0 GCADHM CSc1ccc(CNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nnn[n-]1 ZINC001571298038 946203406 /nfs/dbraw/zinc/20/34/06/946203406.db2.gz HXQXIDWJWMYBKK-YMTOWFKASA-N -1 3 390.469 0.480 20 0 GCADHM CSc1ccc(CNC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nn[n-]n1 ZINC001571298038 946203417 /nfs/dbraw/zinc/20/34/17/946203417.db2.gz HXQXIDWJWMYBKK-YMTOWFKASA-N -1 3 390.469 0.480 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573482859 946204088 /nfs/dbraw/zinc/20/40/88/946204088.db2.gz AXMSRMQPAFUACK-FBIMIBRVSA-N -1 3 378.462 0.463 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573482861 946204611 /nfs/dbraw/zinc/20/46/11/946204611.db2.gz AXMSRMQPAFUACK-INTQDDNPSA-N -1 3 378.462 0.463 20 0 GCADHM CSc1ccc(CNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nnn[n-]1 ZINC001571298036 946204730 /nfs/dbraw/zinc/20/47/30/946204730.db2.gz HXQXIDWJWMYBKK-OTYXRUKQSA-N -1 3 390.469 0.480 20 0 GCADHM CSc1ccc(CNC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nn[n-]n1 ZINC001571298036 946204739 /nfs/dbraw/zinc/20/47/39/946204739.db2.gz HXQXIDWJWMYBKK-OTYXRUKQSA-N -1 3 390.469 0.480 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573483297 946205563 /nfs/dbraw/zinc/20/55/63/946205563.db2.gz DBFPAZUAKAXWDY-DGCLKSJQSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573483297 946205576 /nfs/dbraw/zinc/20/55/76/946205576.db2.gz DBFPAZUAKAXWDY-DGCLKSJQSA-N -1 3 389.435 0.863 20 0 GCADHM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CCNC3=O)C2)c1-c1nnn[n-]1 ZINC001571298104 946205666 /nfs/dbraw/zinc/20/56/66/946205666.db2.gz JPYFKMHFOYKNNR-DVVUODLYSA-N -1 3 390.473 0.099 20 0 GCADHM CN(C(=O)[C@@H]1CCCS1(=O)=O)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571298064 946206763 /nfs/dbraw/zinc/20/67/63/946206763.db2.gz IUWWWFCRYYCFHG-HNNXBMFYSA-N -1 3 390.469 0.087 20 0 GCADHM CN(C(=O)[C@@H]1CCCS1(=O)=O)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571298064 946206773 /nfs/dbraw/zinc/20/67/73/946206773.db2.gz IUWWWFCRYYCFHG-HNNXBMFYSA-N -1 3 390.469 0.087 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001573483617 946208803 /nfs/dbraw/zinc/20/88/03/946208803.db2.gz GDJYDKYDUSDMIR-UBHAPETDSA-N -1 3 392.489 0.345 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCC[C@@H]2CCOC2=O)cc1 ZINC000822902458 946213383 /nfs/dbraw/zinc/21/33/83/946213383.db2.gz BUICAUGGEMWOCU-LLVKDONJSA-N -1 3 383.368 0.745 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCC[C@@H]2CCOC2=O)cc1 ZINC000822902458 946213386 /nfs/dbraw/zinc/21/33/86/946213386.db2.gz BUICAUGGEMWOCU-LLVKDONJSA-N -1 3 383.368 0.745 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC001571298445 946217370 /nfs/dbraw/zinc/21/73/70/946217370.db2.gz NYEQGCNVBJDHMZ-PPHDSNJXSA-N -1 3 390.469 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC001571298445 946217379 /nfs/dbraw/zinc/21/73/79/946217379.db2.gz NYEQGCNVBJDHMZ-PPHDSNJXSA-N -1 3 390.469 0.840 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573484550 946218291 /nfs/dbraw/zinc/21/82/91/946218291.db2.gz MMGPJUZGKNZFCZ-KWCYVHTRSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573484550 946218303 /nfs/dbraw/zinc/21/83/03/946218303.db2.gz MMGPJUZGKNZFCZ-KWCYVHTRSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCN(Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573485497 946226792 /nfs/dbraw/zinc/22/67/92/946226792.db2.gz UGLOBKNLEOKWIC-JTQLQIEISA-N -1 3 377.474 0.533 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001571298767 946228116 /nfs/dbraw/zinc/22/81/16/946228116.db2.gz QOXYCZCKAOVHCN-LBPRGKRZSA-N -1 3 390.473 0.195 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573485566 946228627 /nfs/dbraw/zinc/22/86/27/946228627.db2.gz WEPDSFUEHVKTCM-ZYHUDNBSSA-N -1 3 377.474 0.533 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)[C@H]2C)c1-c1nnn[n-]1 ZINC001571298825 946230388 /nfs/dbraw/zinc/23/03/88/946230388.db2.gz REQIFRMQRBMBHL-OUAUKWLOSA-N -1 3 390.473 0.384 20 0 GCADHM O=C(CN1CCCC1=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571298882 946232138 /nfs/dbraw/zinc/23/21/38/946232138.db2.gz FYXUCHSKLISLOV-LLVKDONJSA-N -1 3 390.835 0.550 20 0 GCADHM O=C(CN1CCCC1=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571298882 946232147 /nfs/dbraw/zinc/23/21/47/946232147.db2.gz FYXUCHSKLISLOV-LLVKDONJSA-N -1 3 390.835 0.550 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H]1C ZINC001573486001 946236363 /nfs/dbraw/zinc/23/63/63/946236363.db2.gz BRHCLRUBCHLIKW-KKFJDGPESA-N -1 3 376.396 0.009 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H]1C ZINC001573486001 946236373 /nfs/dbraw/zinc/23/63/73/946236373.db2.gz BRHCLRUBCHLIKW-KKFJDGPESA-N -1 3 376.396 0.009 20 0 GCADHM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573487009 946246156 /nfs/dbraw/zinc/24/61/56/946246156.db2.gz KGIAUUGDLPDNRF-HNNXBMFYSA-N -1 3 388.476 0.755 20 0 GCADHM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573487009 946246168 /nfs/dbraw/zinc/24/61/68/946246168.db2.gz KGIAUUGDLPDNRF-HNNXBMFYSA-N -1 3 388.476 0.755 20 0 GCADHM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573487010 946247699 /nfs/dbraw/zinc/24/76/99/946247699.db2.gz KGIAUUGDLPDNRF-OAHLLOKOSA-N -1 3 388.476 0.755 20 0 GCADHM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573487010 946247710 /nfs/dbraw/zinc/24/77/10/946247710.db2.gz KGIAUUGDLPDNRF-OAHLLOKOSA-N -1 3 388.476 0.755 20 0 GCADHM NS(=O)(=O)c1ccsc1C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001571299518 946253561 /nfs/dbraw/zinc/25/35/61/946253561.db2.gz SWPKRXCCWVWKHA-NSHDSACASA-N -1 3 390.450 0.993 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001573487595 946253876 /nfs/dbraw/zinc/25/38/76/946253876.db2.gz PQIBNCHNRBLIME-YNKQFZHNSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001573487595 946253884 /nfs/dbraw/zinc/25/38/84/946253884.db2.gz PQIBNCHNRBLIME-YNKQFZHNSA-N -1 3 384.444 0.261 20 0 GCADHM Cc1nsc(N[C@H]2CC[C@H](NC(=O)[C@H]3CCC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571299568 946254855 /nfs/dbraw/zinc/25/48/55/946254855.db2.gz XIXNKWGLXVOICU-GMTAPVOTSA-N -1 3 390.473 0.750 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCC(=O)N1 ZINC001571299611 946257691 /nfs/dbraw/zinc/25/76/91/946257691.db2.gz MXHNQASIGDFDFM-PWSUYJOCSA-N -1 3 390.835 0.279 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCC(=O)N1 ZINC001571299611 946257699 /nfs/dbraw/zinc/25/76/99/946257699.db2.gz MXHNQASIGDFDFM-PWSUYJOCSA-N -1 3 390.835 0.279 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571299674 946259438 /nfs/dbraw/zinc/25/94/38/946259438.db2.gz OKQQDECVOMEURQ-ONGXEEELSA-N -1 3 390.835 0.454 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571299674 946259450 /nfs/dbraw/zinc/25/94/50/946259450.db2.gz OKQQDECVOMEURQ-ONGXEEELSA-N -1 3 390.835 0.454 20 0 GCADHM Cc1nsc(N[C@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C)c1-c1nnn[n-]1 ZINC001571299665 946259725 /nfs/dbraw/zinc/25/97/25/946259725.db2.gz YVUYWUJQJYGSKU-KOLCDFICSA-N -1 3 390.473 0.513 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1O)c1cocn1 ZINC001571299907 946267029 /nfs/dbraw/zinc/26/70/29/946267029.db2.gz QUKBFTOJYREMJO-CMPLNLGQSA-N -1 3 390.791 0.273 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1O)c1cocn1 ZINC001571299907 946267038 /nfs/dbraw/zinc/26/70/38/946267038.db2.gz QUKBFTOJYREMJO-CMPLNLGQSA-N -1 3 390.791 0.273 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCC1 ZINC001573488674 946272398 /nfs/dbraw/zinc/27/23/98/946272398.db2.gz IIOIZQQASJXRBX-JOCQHMNTSA-N -1 3 384.444 0.770 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCC1 ZINC001573488674 946272411 /nfs/dbraw/zinc/27/24/11/946272411.db2.gz IIOIZQQASJXRBX-JOCQHMNTSA-N -1 3 384.444 0.770 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573488724 946275374 /nfs/dbraw/zinc/27/53/74/946275374.db2.gz KHQBOJUGWIPKIA-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573488724 946275383 /nfs/dbraw/zinc/27/53/83/946275383.db2.gz KHQBOJUGWIPKIA-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573488725 946275696 /nfs/dbraw/zinc/27/56/96/946275696.db2.gz KHQBOJUGWIPKIA-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573488725 946275706 /nfs/dbraw/zinc/27/57/06/946275706.db2.gz KHQBOJUGWIPKIA-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573488819 946277459 /nfs/dbraw/zinc/27/74/59/946277459.db2.gz MWQUXTLDGXHBRT-NSHDSACASA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573488819 946277469 /nfs/dbraw/zinc/27/74/69/946277469.db2.gz MWQUXTLDGXHBRT-NSHDSACASA-N -1 3 386.460 0.936 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571300275 946277833 /nfs/dbraw/zinc/27/78/33/946277833.db2.gz YQGYVCBNTVKYNZ-APPZFPTMSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571300275 946277846 /nfs/dbraw/zinc/27/78/46/946277846.db2.gz YQGYVCBNTVKYNZ-APPZFPTMSA-N -1 3 390.791 0.869 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000823022947 946278704 /nfs/dbraw/zinc/27/87/04/946278704.db2.gz RNIBBVIYOLNYRX-UHFFFAOYSA-N -1 3 399.323 0.429 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000823022947 946278714 /nfs/dbraw/zinc/27/87/14/946278714.db2.gz RNIBBVIYOLNYRX-UHFFFAOYSA-N -1 3 399.323 0.429 20 0 GCADHM CC1(C)CN(C(=O)[C@@H]2COCCO2)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571301797 946282376 /nfs/dbraw/zinc/28/23/76/946282376.db2.gz DOXUHLVYUWHEHK-QWHCGFSZSA-N -1 3 391.407 0.465 20 0 GCADHM CC1(C)CN(C(=O)[C@@H]2COCCO2)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571301797 946282386 /nfs/dbraw/zinc/28/23/86/946282386.db2.gz DOXUHLVYUWHEHK-QWHCGFSZSA-N -1 3 391.407 0.465 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCCC1 ZINC001573489002 946283542 /nfs/dbraw/zinc/28/35/42/946283542.db2.gz UBKZMVQELCMDGV-ZDUSSCGKSA-N -1 3 384.444 0.406 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCCC1 ZINC001573489002 946283549 /nfs/dbraw/zinc/28/35/49/946283549.db2.gz UBKZMVQELCMDGV-ZDUSSCGKSA-N -1 3 384.444 0.406 20 0 GCADHM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001571301887 946284466 /nfs/dbraw/zinc/28/44/66/946284466.db2.gz GVZNTCFRYJNRCW-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001571301887 946284473 /nfs/dbraw/zinc/28/44/73/946284473.db2.gz GVZNTCFRYJNRCW-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCCC1 ZINC001573489044 946285304 /nfs/dbraw/zinc/28/53/04/946285304.db2.gz VPSCYNPEQOTXCV-CYBMUJFWSA-N -1 3 384.444 0.406 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCCC1 ZINC001573489044 946285315 /nfs/dbraw/zinc/28/53/15/946285315.db2.gz VPSCYNPEQOTXCV-CYBMUJFWSA-N -1 3 384.444 0.406 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)c1ccc(F)s1 ZINC001571301866 946286120 /nfs/dbraw/zinc/28/61/20/946286120.db2.gz GJEXAPQSUXGNST-ZJUUUORDSA-N -1 3 391.388 0.011 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)c1ccc(F)s1 ZINC001571301866 946286131 /nfs/dbraw/zinc/28/61/31/946286131.db2.gz GJEXAPQSUXGNST-ZJUUUORDSA-N -1 3 391.388 0.011 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1C[C@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)C[C@H]21 ZINC001571302027 946289368 /nfs/dbraw/zinc/28/93/68/946289368.db2.gz LZUWPTHXDRCJJP-KEPMVKOISA-N -1 3 391.382 0.769 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)C[C@H]21 ZINC001571302027 946289377 /nfs/dbraw/zinc/28/93/77/946289377.db2.gz LZUWPTHXDRCJJP-KEPMVKOISA-N -1 3 391.382 0.769 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2-c2nnn[n-]2)no1 ZINC001571302035 946289576 /nfs/dbraw/zinc/28/95/76/946289576.db2.gz MFNBNXQWLOKTPT-UHFFFAOYSA-N -1 3 391.413 0.731 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2-c2nn[n-]n2)no1 ZINC001571302035 946289581 /nfs/dbraw/zinc/28/95/81/946289581.db2.gz MFNBNXQWLOKTPT-UHFFFAOYSA-N -1 3 391.413 0.731 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)F ZINC001571302005 946289827 /nfs/dbraw/zinc/28/98/27/946289827.db2.gz LEAHYIAQIFPTDC-XHSYRHOGSA-N -1 3 391.382 0.769 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)F ZINC001571302005 946289840 /nfs/dbraw/zinc/28/98/40/946289840.db2.gz LEAHYIAQIFPTDC-XHSYRHOGSA-N -1 3 391.382 0.769 20 0 GCADHM CN(C[C@H]1CCN1C(=O)C1(F)CCOCC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571302065 946293366 /nfs/dbraw/zinc/29/33/66/946293366.db2.gz NALYGSIPKNUPLY-GFCCVEGCSA-N -1 3 391.407 0.386 20 0 GCADHM CN(C[C@H]1CCN1C(=O)C1(F)CCOCC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571302065 946293374 /nfs/dbraw/zinc/29/33/74/946293374.db2.gz NALYGSIPKNUPLY-GFCCVEGCSA-N -1 3 391.407 0.386 20 0 GCADHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCc2c(=O)[nH]cnc2C1 ZINC001571302387 946302344 /nfs/dbraw/zinc/30/23/44/946302344.db2.gz WHWHYMFCAQFZQH-UHFFFAOYSA-N -1 3 391.388 0.557 20 0 GCADHM O=C([C@H]1CCc2ncncc2C1)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571302608 946307883 /nfs/dbraw/zinc/30/78/83/946307883.db2.gz CQRYLYMDYCPHNH-GXTWGEPZSA-N -1 3 391.439 0.870 20 0 GCADHM O=C([C@H]1CCc2ncncc2C1)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571302608 946307893 /nfs/dbraw/zinc/30/78/93/946307893.db2.gz CQRYLYMDYCPHNH-GXTWGEPZSA-N -1 3 391.439 0.870 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)c2cnc3n2CCC3)n1 ZINC001571302719 946313947 /nfs/dbraw/zinc/31/39/47/946313947.db2.gz GNDKLEBGWHSXLC-STQMWFEESA-N -1 3 391.439 0.816 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)c2cnc3n2CCC3)n1 ZINC001571302719 946313958 /nfs/dbraw/zinc/31/39/58/946313958.db2.gz GNDKLEBGWHSXLC-STQMWFEESA-N -1 3 391.439 0.816 20 0 GCADHM O=C(CCc1ncccn1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571302881 946317219 /nfs/dbraw/zinc/31/72/19/946317219.db2.gz IKEZDFVLJCRYCN-OKILXGFUSA-N -1 3 391.439 0.579 20 0 GCADHM O=C(CCc1ncccn1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571302881 946317231 /nfs/dbraw/zinc/31/72/31/946317231.db2.gz IKEZDFVLJCRYCN-OKILXGFUSA-N -1 3 391.439 0.579 20 0 GCADHM CC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573496669 946324710 /nfs/dbraw/zinc/32/47/10/946324710.db2.gz AABLEEQNZLQRFG-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573496669 946324720 /nfs/dbraw/zinc/32/47/20/946324720.db2.gz AABLEEQNZLQRFG-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573496674 946328587 /nfs/dbraw/zinc/32/85/87/946328587.db2.gz ABPKMMJAKLPEID-CYBMUJFWSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573496674 946328597 /nfs/dbraw/zinc/32/85/97/946328597.db2.gz ABPKMMJAKLPEID-CYBMUJFWSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573496841 946332603 /nfs/dbraw/zinc/33/26/03/946332603.db2.gz DRXDBEDURJCQBN-GDBMZVCRSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573496841 946332611 /nfs/dbraw/zinc/33/26/11/946332611.db2.gz DRXDBEDURJCQBN-GDBMZVCRSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001573497182 946341360 /nfs/dbraw/zinc/34/13/60/946341360.db2.gz MTBBIAUCJNMGID-SECBINFHSA-N -1 3 379.218 0.980 20 0 GCADHM CC(=O)N[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001573497182 946341373 /nfs/dbraw/zinc/34/13/73/946341373.db2.gz MTBBIAUCJNMGID-SECBINFHSA-N -1 3 379.218 0.980 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000823202570 946341396 /nfs/dbraw/zinc/34/13/96/946341396.db2.gz XFOQJMDKMVMMBV-CYBMUJFWSA-N -1 3 386.338 0.382 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000823202570 946341410 /nfs/dbraw/zinc/34/14/10/946341410.db2.gz XFOQJMDKMVMMBV-CYBMUJFWSA-N -1 3 386.338 0.382 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCO[C@H](Cn2cncn2)C1 ZINC000823235439 946352808 /nfs/dbraw/zinc/35/28/08/946352808.db2.gz UXLTYUKIFHPBEL-ZDUSSCGKSA-N -1 3 387.379 0.208 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCO[C@H](Cn2cncn2)C1 ZINC000823235439 946352821 /nfs/dbraw/zinc/35/28/21/946352821.db2.gz UXLTYUKIFHPBEL-ZDUSSCGKSA-N -1 3 387.379 0.208 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1csc(Cl)c1 ZINC001571305504 946364992 /nfs/dbraw/zinc/36/49/92/946364992.db2.gz CQWFWXYSYYHLBU-NEPJUHHUSA-N -1 3 391.844 0.956 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1csc(Cl)c1 ZINC001571305504 946365004 /nfs/dbraw/zinc/36/50/04/946365004.db2.gz CQWFWXYSYYHLBU-NEPJUHHUSA-N -1 3 391.844 0.956 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573501417 946379927 /nfs/dbraw/zinc/37/99/27/946379927.db2.gz OOMZEMHHJWJFBV-QPUJVOFHSA-N -1 3 378.824 0.310 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573501417 946379942 /nfs/dbraw/zinc/37/99/42/946379942.db2.gz OOMZEMHHJWJFBV-QPUJVOFHSA-N -1 3 378.824 0.310 20 0 GCADHM O=C(C[C@@H]1CCCS1(=O)=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571305946 946381862 /nfs/dbraw/zinc/38/18/62/946381862.db2.gz FHSKPHXGUJSCIZ-SRVKXCTJSA-N -1 3 391.457 0.288 20 0 GCADHM O=C(C[C@@H]1CCCS1(=O)=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571305946 946381874 /nfs/dbraw/zinc/38/18/74/946381874.db2.gz FHSKPHXGUJSCIZ-SRVKXCTJSA-N -1 3 391.457 0.288 20 0 GCADHM CC[C@H](NC(C)=O)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCN(C(C)=O)C2 ZINC001571306149 946387253 /nfs/dbraw/zinc/38/72/53/946387253.db2.gz HTMDWBBXWIQQOT-NSHDSACASA-N -1 3 391.457 0.686 20 0 GCADHM CC[C@H](NC(C)=O)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCN(C(C)=O)C2 ZINC001571306149 946387262 /nfs/dbraw/zinc/38/72/62/946387262.db2.gz HTMDWBBXWIQQOT-NSHDSACASA-N -1 3 391.457 0.686 20 0 GCADHM CC(=O)NCC(=O)N(C)CC[C@H](Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573502833 946391030 /nfs/dbraw/zinc/39/10/30/946391030.db2.gz ZNMMHIHISAIIMZ-HNNXBMFYSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(=O)N(C)CC[C@H](Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573502833 946391036 /nfs/dbraw/zinc/39/10/36/946391036.db2.gz ZNMMHIHISAIIMZ-HNNXBMFYSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573503705 946395757 /nfs/dbraw/zinc/39/57/57/946395757.db2.gz BHAWIBOZLWWRCW-CYBMUJFWSA-N -1 3 375.364 0.071 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573503705 946395766 /nfs/dbraw/zinc/39/57/66/946395766.db2.gz BHAWIBOZLWWRCW-CYBMUJFWSA-N -1 3 375.364 0.071 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573503703 946395900 /nfs/dbraw/zinc/39/59/00/946395900.db2.gz BFCXDUMPEYWYTA-LSDHHAIUSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573503703 946395911 /nfs/dbraw/zinc/39/59/11/946395911.db2.gz BFCXDUMPEYWYTA-LSDHHAIUSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)[C@@H]2C1 ZINC001573504169 946406653 /nfs/dbraw/zinc/40/66/53/946406653.db2.gz GWUPHAIVDRRVOW-NWANDNLSSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)[C@@H]2C1 ZINC001573504169 946406666 /nfs/dbraw/zinc/40/66/66/946406666.db2.gz GWUPHAIVDRRVOW-NWANDNLSSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573504180 946408013 /nfs/dbraw/zinc/40/80/13/946408013.db2.gz FQUOFTFEFCUMNB-JSGCOSHPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573504180 946408022 /nfs/dbraw/zinc/40/80/22/946408022.db2.gz FQUOFTFEFCUMNB-JSGCOSHPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ncc(-c2nnn[n-]2)cc1F ZINC001573504560 946410708 /nfs/dbraw/zinc/41/07/08/946410708.db2.gz HLSFVHMKISKIGC-UONOGXRCSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ncc(-c2nn[n-]n2)cc1F ZINC001573504560 946410713 /nfs/dbraw/zinc/41/07/13/946410713.db2.gz HLSFVHMKISKIGC-UONOGXRCSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H](C)C1 ZINC001573504673 946412201 /nfs/dbraw/zinc/41/22/01/946412201.db2.gz IKDCJOJRBCMDEC-ZANVPECISA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)[C@@H](C)C1 ZINC001573504673 946412206 /nfs/dbraw/zinc/41/22/06/946412206.db2.gz IKDCJOJRBCMDEC-ZANVPECISA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573504746 946414338 /nfs/dbraw/zinc/41/43/38/946414338.db2.gz JFCJQVRKFFVQOO-BXUZGUMPSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573504746 946414347 /nfs/dbraw/zinc/41/43/47/946414347.db2.gz JFCJQVRKFFVQOO-BXUZGUMPSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573504790 946415448 /nfs/dbraw/zinc/41/54/48/946415448.db2.gz KCHFFONCZUFAES-GASCZTMLSA-N -1 3 387.419 0.317 20 0 GCADHM CO[C@@H](C)CS(=O)(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001571307048 946416311 /nfs/dbraw/zinc/41/63/11/946416311.db2.gz VAFQJRDGJIWOPS-NSHDSACASA-N -1 3 391.457 0.722 20 0 GCADHM CO[C@@H](C)CS(=O)(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001571307048 946416314 /nfs/dbraw/zinc/41/63/14/946416314.db2.gz VAFQJRDGJIWOPS-NSHDSACASA-N -1 3 391.457 0.722 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573505068 946416538 /nfs/dbraw/zinc/41/65/38/946416538.db2.gz IYHKFNZFHSJHIP-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573505068 946416546 /nfs/dbraw/zinc/41/65/46/946416546.db2.gz IYHKFNZFHSJHIP-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001573505059 946416741 /nfs/dbraw/zinc/41/67/41/946416741.db2.gz IRZYUQXVXRRNDM-CABZTGNLSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001573505059 946416748 /nfs/dbraw/zinc/41/67/48/946416748.db2.gz IRZYUQXVXRRNDM-CABZTGNLSA-N -1 3 376.396 0.328 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C1CCS(=O)(=O)CC1 ZINC001571307195 946418467 /nfs/dbraw/zinc/41/84/67/946418467.db2.gz ZPTJHKSVBJBWNO-JOCQHMNTSA-N -1 3 391.457 0.146 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C1CCS(=O)(=O)CC1 ZINC001571307195 946418474 /nfs/dbraw/zinc/41/84/74/946418474.db2.gz ZPTJHKSVBJBWNO-JOCQHMNTSA-N -1 3 391.457 0.146 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573505299 946419449 /nfs/dbraw/zinc/41/94/49/946419449.db2.gz MBGGRGTZBOVBRP-FZMZJTMJSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573505299 946419456 /nfs/dbraw/zinc/41/94/56/946419456.db2.gz MBGGRGTZBOVBRP-FZMZJTMJSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573505303 946419630 /nfs/dbraw/zinc/41/96/30/946419630.db2.gz MBGGRGTZBOVBRP-SMDDNHRTSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573505303 946419639 /nfs/dbraw/zinc/41/96/39/946419639.db2.gz MBGGRGTZBOVBRP-SMDDNHRTSA-N -1 3 386.460 0.603 20 0 GCADHM CCOC(=O)C[C@H](O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001571307231 946420764 /nfs/dbraw/zinc/42/07/64/946420764.db2.gz AEIWIBNZWVAQCL-LBPRGKRZSA-N -1 3 392.372 0.688 20 0 GCADHM CCOC(=O)C[C@H](O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001571307231 946420769 /nfs/dbraw/zinc/42/07/69/946420769.db2.gz AEIWIBNZWVAQCL-LBPRGKRZSA-N -1 3 392.372 0.688 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573505624 946424144 /nfs/dbraw/zinc/42/41/44/946424144.db2.gz MCJRORQPPLPCSB-NSHDSACASA-N -1 3 378.462 0.418 20 0 GCADHM O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001571307893 946427075 /nfs/dbraw/zinc/42/70/75/946427075.db2.gz JAIAYOSQUUOJTP-ZDUSSCGKSA-N -1 3 392.366 0.655 20 0 GCADHM O=C(NC1CCN([C@H]2CCOC2=O)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001571307893 946427084 /nfs/dbraw/zinc/42/70/84/946427084.db2.gz JAIAYOSQUUOJTP-ZDUSSCGKSA-N -1 3 392.366 0.655 20 0 GCADHM Cn1cncc1[C@H](CO)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001571308072 946428667 /nfs/dbraw/zinc/42/86/67/946428667.db2.gz LGFGNTMFLHKKEE-JTQLQIEISA-N -1 3 392.217 0.826 20 0 GCADHM Cn1cncc1[C@H](CO)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001571308072 946428676 /nfs/dbraw/zinc/42/86/76/946428676.db2.gz LGFGNTMFLHKKEE-JTQLQIEISA-N -1 3 392.217 0.826 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573506297 946430556 /nfs/dbraw/zinc/43/05/56/946430556.db2.gz PFEHHKBABQDZAT-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573506297 946430561 /nfs/dbraw/zinc/43/05/61/946430561.db2.gz PFEHHKBABQDZAT-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(=O)N1CCC([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573506399 946432389 /nfs/dbraw/zinc/43/23/89/946432389.db2.gz RPMZBQQGEBJQCB-LBPRGKRZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573506399 946432400 /nfs/dbraw/zinc/43/24/00/946432400.db2.gz RPMZBQQGEBJQCB-LBPRGKRZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)[C@@H](C)C1 ZINC001573506869 946438987 /nfs/dbraw/zinc/43/89/87/946438987.db2.gz VAZGNYYYTGDUFT-SMDDNHRTSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)[C@@H](C)C1 ZINC001573506869 946438992 /nfs/dbraw/zinc/43/89/92/946438992.db2.gz VAZGNYYYTGDUFT-SMDDNHRTSA-N -1 3 386.460 0.603 20 0 GCADHM NC(=O)c1ncccc1C(=O)NC[C@@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001571309526 946446590 /nfs/dbraw/zinc/44/65/90/946446590.db2.gz CLZXFYCPNZSPEM-AWEZNQCLSA-N -1 3 392.423 0.365 20 0 GCADHM CN(C(=O)c1cccc(C(N)=O)c1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571309484 946447283 /nfs/dbraw/zinc/44/72/83/946447283.db2.gz BIGYXMUMODRDKC-HNNXBMFYSA-N -1 3 392.423 0.712 20 0 GCADHM CN(C(=O)c1cccc(C(N)=O)c1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571309484 946447286 /nfs/dbraw/zinc/44/72/86/946447286.db2.gz BIGYXMUMODRDKC-HNNXBMFYSA-N -1 3 392.423 0.712 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823566226 946448143 /nfs/dbraw/zinc/44/81/43/946448143.db2.gz BUEDYQGRNUHERM-UHFFFAOYSA-N -1 3 389.441 0.502 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823566226 946448148 /nfs/dbraw/zinc/44/81/48/946448148.db2.gz BUEDYQGRNUHERM-UHFFFAOYSA-N -1 3 389.441 0.502 20 0 GCADHM Cn1cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)C2)nn1 ZINC001571309584 946448856 /nfs/dbraw/zinc/44/88/56/946448856.db2.gz DVUPQRDIHWBHEC-JTQLQIEISA-N -1 3 392.420 0.703 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC001573507707 946449229 /nfs/dbraw/zinc/44/92/29/946449229.db2.gz WZHZFQVYZHKWJE-GJZGRUSLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC001573507707 946449234 /nfs/dbraw/zinc/44/92/34/946449234.db2.gz WZHZFQVYZHKWJE-GJZGRUSLSA-N -1 3 384.444 0.215 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)cc1 ZINC001571309729 946452788 /nfs/dbraw/zinc/45/27/88/946452788.db2.gz ISMRAOSLFHZGDH-CQSZACIVSA-N -1 3 392.423 0.759 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)cc1 ZINC001571309729 946452796 /nfs/dbraw/zinc/45/27/96/946452796.db2.gz ISMRAOSLFHZGDH-CQSZACIVSA-N -1 3 392.423 0.759 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823606797 946452926 /nfs/dbraw/zinc/45/29/26/946452926.db2.gz MYUNNZZPZMOHSD-ZDUSSCGKSA-N -1 3 378.458 0.210 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823606797 946452937 /nfs/dbraw/zinc/45/29/37/946452937.db2.gz MYUNNZZPZMOHSD-ZDUSSCGKSA-N -1 3 378.458 0.210 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573508919 946454325 /nfs/dbraw/zinc/45/43/25/946454325.db2.gz AWRMRHHDLKTNCR-LBPRGKRZSA-N -1 3 376.396 0.330 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573508919 946454328 /nfs/dbraw/zinc/45/43/28/946454328.db2.gz AWRMRHHDLKTNCR-LBPRGKRZSA-N -1 3 376.396 0.330 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573508291 946455477 /nfs/dbraw/zinc/45/54/77/946455477.db2.gz YZARSGLCMMSQKS-OAHLLOKOSA-N -1 3 389.435 0.565 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)c1n[nH]cc1F ZINC001571309930 946456574 /nfs/dbraw/zinc/45/65/74/946456574.db2.gz PRGUITSHFBNTMY-GHMZBOCLSA-N -1 3 392.420 0.420 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1NC(=O)c1n[nH]cc1F ZINC001571309930 946456584 /nfs/dbraw/zinc/45/65/84/946456584.db2.gz PRGUITSHFBNTMY-GHMZBOCLSA-N -1 3 392.420 0.420 20 0 GCADHM Cc1cnccc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571309929 946457504 /nfs/dbraw/zinc/45/75/04/946457504.db2.gz PRBHBXACAVCAKV-ZSOGYDGISA-N -1 3 392.423 0.646 20 0 GCADHM Cc1cnccc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571309929 946457508 /nfs/dbraw/zinc/45/75/08/946457508.db2.gz PRBHBXACAVCAKV-ZSOGYDGISA-N -1 3 392.423 0.646 20 0 GCADHM CN(c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001571309976 946459103 /nfs/dbraw/zinc/45/91/03/946459103.db2.gz QYDMVEFJOXXSHE-OAHLLOKOSA-N -1 3 392.423 0.712 20 0 GCADHM CN(c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001571309976 946459111 /nfs/dbraw/zinc/45/91/11/946459111.db2.gz QYDMVEFJOXXSHE-OAHLLOKOSA-N -1 3 392.423 0.712 20 0 GCADHM NC(=O)c1ccc(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001571310003 946459922 /nfs/dbraw/zinc/45/99/22/946459922.db2.gz RPYWEWJFAVYVJB-HNNXBMFYSA-N -1 3 392.423 0.365 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)ccc1=O ZINC001571310055 946462195 /nfs/dbraw/zinc/46/21/95/946462195.db2.gz TVXHMIUUCTZGSL-WQVCFCJDSA-N -1 3 392.423 0.500 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)ccc1=O ZINC001571310055 946462200 /nfs/dbraw/zinc/46/22/00/946462200.db2.gz TVXHMIUUCTZGSL-WQVCFCJDSA-N -1 3 392.423 0.500 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@]2(C)CN(c3ncccc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573510161 946471563 /nfs/dbraw/zinc/47/15/63/946471563.db2.gz ALTRUMOXNKVREN-HDICACEKSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@]2(C)CN(c3ncccc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573510161 946471571 /nfs/dbraw/zinc/47/15/71/946471571.db2.gz ALTRUMOXNKVREN-HDICACEKSA-N -1 3 384.444 0.073 20 0 GCADHM Cc1nsc(N2CCC[C@@H](NC(=O)[C@H]3COC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571310520 946473822 /nfs/dbraw/zinc/47/38/22/946473822.db2.gz IOVDVGWELGZRDX-NXEZZACHSA-N -1 3 392.445 0.215 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC001573510346 946476074 /nfs/dbraw/zinc/47/60/74/946476074.db2.gz FRLPEUFMNDIRFD-MRXNPFEDSA-N -1 3 386.460 0.875 20 0 GCADHM c1ncn(C[C@@H]2CN(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CCO2)n1 ZINC000823738429 946476096 /nfs/dbraw/zinc/47/60/96/946476096.db2.gz VFUPCTKCVNEUHS-AWEZNQCLSA-N -1 3 394.399 0.409 20 0 GCADHM c1ncn(C[C@@H]2CN(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)CCO2)n1 ZINC000823738429 946476103 /nfs/dbraw/zinc/47/61/03/946476103.db2.gz VFUPCTKCVNEUHS-AWEZNQCLSA-N -1 3 394.399 0.409 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC001573510346 946476081 /nfs/dbraw/zinc/47/60/81/946476081.db2.gz FRLPEUFMNDIRFD-MRXNPFEDSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573510370 946478212 /nfs/dbraw/zinc/47/82/12/946478212.db2.gz GBEZCJXDPONKCF-DGCLKSJQSA-N -1 3 375.458 0.097 20 0 GCADHM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571310783 946479770 /nfs/dbraw/zinc/47/97/70/946479770.db2.gz MWDWHSNTJGERJU-STQMWFEESA-N -1 3 392.441 0.145 20 0 GCADHM CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571310783 946479774 /nfs/dbraw/zinc/47/97/74/946479774.db2.gz MWDWHSNTJGERJU-STQMWFEESA-N -1 3 392.441 0.145 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573511023 946481426 /nfs/dbraw/zinc/48/14/26/946481426.db2.gz LVIFYPKABDURFP-JSGCOSHPSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573511023 946481430 /nfs/dbraw/zinc/48/14/30/946481430.db2.gz LVIFYPKABDURFP-JSGCOSHPSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573511021 946481822 /nfs/dbraw/zinc/48/18/22/946481822.db2.gz LVIFYPKABDURFP-GXTWGEPZSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573511021 946481826 /nfs/dbraw/zinc/48/18/26/946481826.db2.gz LVIFYPKABDURFP-GXTWGEPZSA-N -1 3 386.460 0.427 20 0 GCADHM Cc1nsc(N[C@@H]2CN(C(=O)[C@H]3COC(=O)N3)CC2(C)C)c1-c1nnn[n-]1 ZINC001571311045 946482918 /nfs/dbraw/zinc/48/29/18/946482918.db2.gz QPFLPBXHYNOBBW-RKDXNWHRSA-N -1 3 392.445 0.389 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573511603 946488903 /nfs/dbraw/zinc/48/89/03/946488903.db2.gz BWNOVXXAVJDVAP-NWDGAFQWSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573511603 946488915 /nfs/dbraw/zinc/48/89/15/946488915.db2.gz BWNOVXXAVJDVAP-NWDGAFQWSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573511602 946488994 /nfs/dbraw/zinc/48/89/94/946488994.db2.gz BWNOVXXAVJDVAP-NEPJUHHUSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573511602 946489001 /nfs/dbraw/zinc/48/90/01/946489001.db2.gz BWNOVXXAVJDVAP-NEPJUHHUSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573511636 946489140 /nfs/dbraw/zinc/48/91/40/946489140.db2.gz BZIZHDNIJDRUMD-PWSUYJOCSA-N -1 3 376.396 0.234 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573511636 946489147 /nfs/dbraw/zinc/48/91/47/946489147.db2.gz BZIZHDNIJDRUMD-PWSUYJOCSA-N -1 3 376.396 0.234 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573511966 946490684 /nfs/dbraw/zinc/49/06/84/946490684.db2.gz CMWIXOKSLHZCKS-BXKDBHETSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573511966 946490687 /nfs/dbraw/zinc/49/06/87/946490687.db2.gz CMWIXOKSLHZCKS-BXKDBHETSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573511872 946491872 /nfs/dbraw/zinc/49/18/72/946491872.db2.gz ULEZVTLUDFWUPT-SNVBAGLBSA-N -1 3 375.408 0.078 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1(c2cccnc2)CC1 ZINC001571312523 946494133 /nfs/dbraw/zinc/49/41/33/946494133.db2.gz GQIPOCSEIISRFS-CQSZACIVSA-N -1 3 392.423 0.652 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1(c2cccnc2)CC1 ZINC001571312523 946494140 /nfs/dbraw/zinc/49/41/40/946494140.db2.gz GQIPOCSEIISRFS-CQSZACIVSA-N -1 3 392.423 0.652 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2Cc3ccncc3C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571312610 946495132 /nfs/dbraw/zinc/49/51/32/946495132.db2.gz ITKROVHKZGQNGH-KCPJHIHWSA-N -1 3 392.423 0.382 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2Cc3ccncc3C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571312610 946495135 /nfs/dbraw/zinc/49/51/35/946495135.db2.gz ITKROVHKZGQNGH-KCPJHIHWSA-N -1 3 392.423 0.382 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573512162 946496830 /nfs/dbraw/zinc/49/68/30/946496830.db2.gz VBOINMGHNSUDSJ-SNVBAGLBSA-N -1 3 375.408 0.078 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]2C1 ZINC001571312651 946497901 /nfs/dbraw/zinc/49/79/01/946497901.db2.gz JPDMGWFRGQVTJH-HIFRSBDPSA-N -1 3 392.423 0.824 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]2C1 ZINC001571312651 946497908 /nfs/dbraw/zinc/49/79/08/946497908.db2.gz JPDMGWFRGQVTJH-HIFRSBDPSA-N -1 3 392.423 0.824 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)CCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573512672 946502496 /nfs/dbraw/zinc/50/24/96/946502496.db2.gz ZILZJPPYWUYFJP-VIFPVBQESA-N -1 3 380.840 0.748 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)CCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573512672 946502505 /nfs/dbraw/zinc/50/25/05/946502505.db2.gz ZILZJPPYWUYFJP-VIFPVBQESA-N -1 3 380.840 0.748 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C12CCC2 ZINC001573513124 946507751 /nfs/dbraw/zinc/50/77/51/946507751.db2.gz KYUALIHKLWWYLL-KBPBESRZSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C12CCC2 ZINC001573513124 946507756 /nfs/dbraw/zinc/50/77/56/946507756.db2.gz KYUALIHKLWWYLL-KBPBESRZSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573513281 946510744 /nfs/dbraw/zinc/51/07/44/946510744.db2.gz MICTZSNABXGICS-NEPJUHHUSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573513281 946510748 /nfs/dbraw/zinc/51/07/48/946510748.db2.gz MICTZSNABXGICS-NEPJUHHUSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573513287 946510922 /nfs/dbraw/zinc/51/09/22/946510922.db2.gz MICTZSNABXGICS-VXGBXAGGSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573513287 946510930 /nfs/dbraw/zinc/51/09/30/946510930.db2.gz MICTZSNABXGICS-VXGBXAGGSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573513490 946513449 /nfs/dbraw/zinc/51/34/49/946513449.db2.gz NLLILVXWXTURHV-UKRRQHHQSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573513490 946513454 /nfs/dbraw/zinc/51/34/54/946513454.db2.gz NLLILVXWXTURHV-UKRRQHHQSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573513778 946515790 /nfs/dbraw/zinc/51/57/90/946515790.db2.gz QDXRQARMMITTMG-VXGBXAGGSA-N -1 3 376.396 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573513778 946515796 /nfs/dbraw/zinc/51/57/96/946515796.db2.gz QDXRQARMMITTMG-VXGBXAGGSA-N -1 3 376.396 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@H]1C ZINC001573513966 946518296 /nfs/dbraw/zinc/51/82/96/946518296.db2.gz RYRFRRNZDPWWBN-MEDUHNTESA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NCC(=O)NC1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573514155 946519836 /nfs/dbraw/zinc/51/98/36/946519836.db2.gz TYJXCEARPFMNOL-UHFFFAOYSA-N -1 3 375.408 0.617 20 0 GCADHM CC(=O)NCC(=O)NC1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573514155 946519846 /nfs/dbraw/zinc/51/98/46/946519846.db2.gz TYJXCEARPFMNOL-UHFFFAOYSA-N -1 3 375.408 0.617 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)C2(c3ccccn3)CC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571313664 946528042 /nfs/dbraw/zinc/52/80/42/946528042.db2.gz VIZPDIZJOYSBAU-LBPRGKRZSA-N -1 3 392.423 0.652 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)C2(c3ccccn3)CC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571313664 946528047 /nfs/dbraw/zinc/52/80/47/946528047.db2.gz VIZPDIZJOYSBAU-LBPRGKRZSA-N -1 3 392.423 0.652 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573514576 946529777 /nfs/dbraw/zinc/52/97/77/946529777.db2.gz AFTFVDHHNLJFTD-SKDRFNHKSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573514576 946529788 /nfs/dbraw/zinc/52/97/88/946529788.db2.gz AFTFVDHHNLJFTD-SKDRFNHKSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N1CCCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000823982177 946531945 /nfs/dbraw/zinc/53/19/45/946531945.db2.gz WGUOFBXHGHIGRA-QGZVFWFLSA-N -1 3 383.456 0.916 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573514654 946532986 /nfs/dbraw/zinc/53/29/86/946532986.db2.gz CBBGNNXDCWKBNZ-GFCCVEGCSA-N -1 3 375.408 0.617 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573514654 946532995 /nfs/dbraw/zinc/53/29/95/946532995.db2.gz CBBGNNXDCWKBNZ-GFCCVEGCSA-N -1 3 375.408 0.617 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823993904 946536637 /nfs/dbraw/zinc/53/66/37/946536637.db2.gz BPTOTGDAIDSFJR-HNNXBMFYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823993904 946536645 /nfs/dbraw/zinc/53/66/45/946536645.db2.gz BPTOTGDAIDSFJR-HNNXBMFYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573515741 946551671 /nfs/dbraw/zinc/55/16/71/946551671.db2.gz QEKBVJYZTFFMPU-CQSZACIVSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001573515741 946551678 /nfs/dbraw/zinc/55/16/78/946551678.db2.gz QEKBVJYZTFFMPU-CQSZACIVSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000824015131 946553120 /nfs/dbraw/zinc/55/31/20/946553120.db2.gz PUDVRMQOXCWZQX-UHFFFAOYSA-N -1 3 399.455 0.050 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCN(CC(=O)N3CCOCC3)CC2)c1 ZINC000824015131 946553127 /nfs/dbraw/zinc/55/31/27/946553127.db2.gz PUDVRMQOXCWZQX-UHFFFAOYSA-N -1 3 399.455 0.050 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1(C)C ZINC001573516445 946561725 /nfs/dbraw/zinc/56/17/25/946561725.db2.gz ZRSVTCSWVGGFSD-CYBMUJFWSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1(C)C ZINC001573516445 946561733 /nfs/dbraw/zinc/56/17/33/946561733.db2.gz ZRSVTCSWVGGFSD-CYBMUJFWSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573516974 946563565 /nfs/dbraw/zinc/56/35/65/946563565.db2.gz BFDVLFZGCIDJJZ-CYBMUJFWSA-N -1 3 390.423 0.402 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573516974 946563575 /nfs/dbraw/zinc/56/35/75/946563575.db2.gz BFDVLFZGCIDJJZ-CYBMUJFWSA-N -1 3 390.423 0.402 20 0 GCADHM C[C@@H](C(=O)NC(=O)NC1CC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824041026 946564651 /nfs/dbraw/zinc/56/46/51/946564651.db2.gz XCWAHJCTABVTTF-NHYWBVRUSA-N -1 3 385.428 0.617 20 0 GCADHM C[C@@H](C(=O)NC(=O)NC1CC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824041026 946564666 /nfs/dbraw/zinc/56/46/66/946564666.db2.gz XCWAHJCTABVTTF-NHYWBVRUSA-N -1 3 385.428 0.617 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573517220 946565951 /nfs/dbraw/zinc/56/59/51/946565951.db2.gz FIAGJHIIVZSZBZ-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573517220 946565963 /nfs/dbraw/zinc/56/59/63/946565963.db2.gz FIAGJHIIVZSZBZ-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573517221 946567456 /nfs/dbraw/zinc/56/74/56/946567456.db2.gz FIAGJHIIVZSZBZ-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573517221 946567464 /nfs/dbraw/zinc/56/74/64/946567464.db2.gz FIAGJHIIVZSZBZ-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573517341 946569276 /nfs/dbraw/zinc/56/92/76/946569276.db2.gz HRVIIUZCYKVPNF-SFHVURJKSA-N -1 3 389.435 0.865 20 0 GCADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573517341 946569282 /nfs/dbraw/zinc/56/92/82/946569282.db2.gz HRVIIUZCYKVPNF-SFHVURJKSA-N -1 3 389.435 0.865 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573518018 946584308 /nfs/dbraw/zinc/58/43/08/946584308.db2.gz VRAHRBNYCORQRP-LBPRGKRZSA-N -1 3 375.408 0.617 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573518018 946584316 /nfs/dbraw/zinc/58/43/16/946584316.db2.gz VRAHRBNYCORQRP-LBPRGKRZSA-N -1 3 375.408 0.617 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573518017 946584420 /nfs/dbraw/zinc/58/44/20/946584420.db2.gz VRAHRBNYCORQRP-GFCCVEGCSA-N -1 3 375.408 0.617 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573518017 946584426 /nfs/dbraw/zinc/58/44/26/946584426.db2.gz VRAHRBNYCORQRP-GFCCVEGCSA-N -1 3 375.408 0.617 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CCCC1 ZINC001573518128 946586135 /nfs/dbraw/zinc/58/61/35/946586135.db2.gz YAIOVECRGBYVQZ-UHFFFAOYSA-N -1 3 375.408 0.983 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CCCC1 ZINC001573518128 946586138 /nfs/dbraw/zinc/58/61/38/946586138.db2.gz YAIOVECRGBYVQZ-UHFFFAOYSA-N -1 3 375.408 0.983 20 0 GCADHM CC(=O)NCC(=O)NCC1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573518322 946589621 /nfs/dbraw/zinc/58/96/21/946589621.db2.gz YWRNVNCZSGLBGM-UHFFFAOYSA-N -1 3 389.435 0.865 20 0 GCADHM CC(=O)NCC(=O)NCC1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573518322 946589631 /nfs/dbraw/zinc/58/96/31/946589631.db2.gz YWRNVNCZSGLBGM-UHFFFAOYSA-N -1 3 389.435 0.865 20 0 GCADHM Cc1ncc2n1CC[C@@H](C(=O)NC1CN(Cc3cccc(-c4nn[n-]n4)c3)C1)C2 ZINC001571316896 946592640 /nfs/dbraw/zinc/59/26/40/946592640.db2.gz PHDCGVVRBNWGCE-MRXNPFEDSA-N -1 3 392.467 0.935 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573520963 946603925 /nfs/dbraw/zinc/60/39/25/946603925.db2.gz QITPUZLMCDKYTA-CMPLNLGQSA-N -1 3 376.396 0.234 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573520963 946603931 /nfs/dbraw/zinc/60/39/31/946603931.db2.gz QITPUZLMCDKYTA-CMPLNLGQSA-N -1 3 376.396 0.234 20 0 GCADHM CNC(=O)N[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001571317275 946604448 /nfs/dbraw/zinc/60/44/48/946604448.db2.gz AKCCNBBUUGYZTG-GXSJLCMTSA-N -1 3 392.851 0.850 20 0 GCADHM CNC(=O)N[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001571317275 946604452 /nfs/dbraw/zinc/60/44/52/946604452.db2.gz AKCCNBBUUGYZTG-GXSJLCMTSA-N -1 3 392.851 0.850 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571317375 946608219 /nfs/dbraw/zinc/60/82/19/946608219.db2.gz FKRLODLKESGHKC-KOLCDFICSA-N -1 3 392.807 0.061 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571317375 946608226 /nfs/dbraw/zinc/60/82/26/946608226.db2.gz FKRLODLKESGHKC-KOLCDFICSA-N -1 3 392.807 0.061 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ncc(Cl)s2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571317401 946609614 /nfs/dbraw/zinc/60/96/14/946609614.db2.gz GOSSLRCCAAOXHK-SSDOTTSWSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ncc(Cl)s2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571317401 946609619 /nfs/dbraw/zinc/60/96/19/946609619.db2.gz GOSSLRCCAAOXHK-SSDOTTSWSA-N -1 3 392.832 0.949 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573521825 946614101 /nfs/dbraw/zinc/61/41/01/946614101.db2.gz JAAQGGZDCUEJGF-ZDUSSCGKSA-N -1 3 375.408 0.223 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573521825 946614110 /nfs/dbraw/zinc/61/41/10/946614110.db2.gz JAAQGGZDCUEJGF-ZDUSSCGKSA-N -1 3 375.408 0.223 20 0 GCADHM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001571317552 946614158 /nfs/dbraw/zinc/61/41/58/946614158.db2.gz MFFWYQPFBFBXIC-CABCVRRESA-N -1 3 392.485 0.934 20 0 GCADHM CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001571317552 946614163 /nfs/dbraw/zinc/61/41/63/946614163.db2.gz MFFWYQPFBFBXIC-CABCVRRESA-N -1 3 392.485 0.934 20 0 GCADHM CS(C)(=O)=NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC001571317524 946614459 /nfs/dbraw/zinc/61/44/59/946614459.db2.gz LGORLLUFYGBKCG-UHFFFAOYSA-N -1 3 392.850 0.053 20 0 GCADHM CS(C)(=O)=NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC001571317524 946614464 /nfs/dbraw/zinc/61/44/64/946614464.db2.gz LGORLLUFYGBKCG-UHFFFAOYSA-N -1 3 392.850 0.053 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ncc(Cl)s2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571317640 946615932 /nfs/dbraw/zinc/61/59/32/946615932.db2.gz PCGXDMWTBVOIKM-QMMMGPOBSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ncc(Cl)s2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571317640 946615941 /nfs/dbraw/zinc/61/59/41/946615941.db2.gz PCGXDMWTBVOIKM-QMMMGPOBSA-N -1 3 392.832 0.949 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cc(C)c1CS(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC001571317636 946615961 /nfs/dbraw/zinc/61/59/61/946615961.db2.gz OZYMAEKUZNPZQU-UHFFFAOYSA-N -1 3 392.485 0.947 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1CS(=O)(=O)NC1CCC(C(N)=O)CC1 ZINC001571317636 946615973 /nfs/dbraw/zinc/61/59/73/946615973.db2.gz OZYMAEKUZNPZQU-UHFFFAOYSA-N -1 3 392.485 0.947 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC001571317712 946618981 /nfs/dbraw/zinc/61/89/81/946618981.db2.gz RXFHCACGNWCXKQ-UHFFFAOYSA-N -1 3 392.485 0.553 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC001571317712 946618987 /nfs/dbraw/zinc/61/89/87/946618987.db2.gz RXFHCACGNWCXKQ-UHFFFAOYSA-N -1 3 392.485 0.553 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573522183 946623155 /nfs/dbraw/zinc/62/31/55/946623155.db2.gz BUSBSSHYCOACBI-KBPBESRZSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573522183 946623162 /nfs/dbraw/zinc/62/31/62/946623162.db2.gz BUSBSSHYCOACBI-KBPBESRZSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573522430 946625189 /nfs/dbraw/zinc/62/51/89/946625189.db2.gz FRCOIWDDANCMND-GFCCVEGCSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573522430 946625194 /nfs/dbraw/zinc/62/51/94/946625194.db2.gz FRCOIWDDANCMND-GFCCVEGCSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573522702 946626957 /nfs/dbraw/zinc/62/69/57/946626957.db2.gz INQULJDEKRZPDA-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573522702 946626964 /nfs/dbraw/zinc/62/69/64/946626964.db2.gz INQULJDEKRZPDA-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573522615 946627481 /nfs/dbraw/zinc/62/74/81/946627481.db2.gz HGYVVOTYVKVUSX-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573522615 946627484 /nfs/dbraw/zinc/62/74/84/946627484.db2.gz HGYVVOTYVKVUSX-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573523102 946634007 /nfs/dbraw/zinc/63/40/07/946634007.db2.gz OCCHMMJSJWRVBG-LLVKDONJSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573523102 946634012 /nfs/dbraw/zinc/63/40/12/946634012.db2.gz OCCHMMJSJWRVBG-LLVKDONJSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573523103 946634834 /nfs/dbraw/zinc/63/48/34/946634834.db2.gz OCCHMMJSJWRVBG-NSHDSACASA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573523103 946634843 /nfs/dbraw/zinc/63/48/43/946634843.db2.gz OCCHMMJSJWRVBG-NSHDSACASA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573523605 946636609 /nfs/dbraw/zinc/63/66/09/946636609.db2.gz SORQIDQIKPYQIQ-ZDUSSCGKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573523605 946636618 /nfs/dbraw/zinc/63/66/18/946636618.db2.gz SORQIDQIKPYQIQ-ZDUSSCGKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(C)COC(=O)COC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824267126 946640883 /nfs/dbraw/zinc/64/08/83/946640883.db2.gz YMRVEVBAFIAGQA-UHFFFAOYSA-N -1 3 396.425 0.524 20 0 GCADHM CC(C)COC(=O)COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824267126 946640892 /nfs/dbraw/zinc/64/08/92/946640892.db2.gz YMRVEVBAFIAGQA-UHFFFAOYSA-N -1 3 396.425 0.524 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(c1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573527494 946643787 /nfs/dbraw/zinc/64/37/87/946643787.db2.gz AEHNDDXUUAMJJN-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(c1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573527494 946643798 /nfs/dbraw/zinc/64/37/98/946643798.db2.gz AEHNDDXUUAMJJN-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001573527542 946643969 /nfs/dbraw/zinc/64/39/69/946643969.db2.gz CEQSQVMJTCZGBH-IAQYHMDHSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001573527542 946643983 /nfs/dbraw/zinc/64/39/83/946643983.db2.gz CEQSQVMJTCZGBH-IAQYHMDHSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001573527863 946648311 /nfs/dbraw/zinc/64/83/11/946648311.db2.gz JZFJNCOXGMGYIH-RISCZKNCSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001573527863 946648320 /nfs/dbraw/zinc/64/83/20/946648320.db2.gz JZFJNCOXGMGYIH-RISCZKNCSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573527916 946651104 /nfs/dbraw/zinc/65/11/04/946651104.db2.gz LSQYGZFMCYCQCI-HAQNSBGRSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573527916 946651106 /nfs/dbraw/zinc/65/11/06/946651106.db2.gz LSQYGZFMCYCQCI-HAQNSBGRSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1 ZINC001573528004 946652162 /nfs/dbraw/zinc/65/21/62/946652162.db2.gz OWSRNJLYAINJAF-KCXAZCMYSA-N -1 3 398.471 0.650 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1 ZINC001573528004 946652170 /nfs/dbraw/zinc/65/21/70/946652170.db2.gz OWSRNJLYAINJAF-KCXAZCMYSA-N -1 3 398.471 0.650 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573527985 946652208 /nfs/dbraw/zinc/65/22/08/946652208.db2.gz OMKJAEXCUICMBQ-OAHLLOKOSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573527985 946652216 /nfs/dbraw/zinc/65/22/16/946652216.db2.gz OMKJAEXCUICMBQ-OAHLLOKOSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573527995 946652331 /nfs/dbraw/zinc/65/23/31/946652331.db2.gz OPKMEJDXLLXOQK-NSHDSACASA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573527995 946652336 /nfs/dbraw/zinc/65/23/36/946652336.db2.gz OPKMEJDXLLXOQK-NSHDSACASA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573528181 946657225 /nfs/dbraw/zinc/65/72/25/946657225.db2.gz XNRLIQJIIXIKIQ-HNNXBMFYSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573528181 946657234 /nfs/dbraw/zinc/65/72/34/946657234.db2.gz XNRLIQJIIXIKIQ-HNNXBMFYSA-N -1 3 388.476 0.977 20 0 GCADHM CC(C)n1ncc(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1N ZINC000824377608 946671707 /nfs/dbraw/zinc/67/17/07/946671707.db2.gz ILHDRAIVHVJDGU-UHFFFAOYSA-N -1 3 384.400 0.700 20 0 GCADHM CC(C)n1ncc(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1N ZINC000824377608 946671715 /nfs/dbraw/zinc/67/17/15/946671715.db2.gz ILHDRAIVHVJDGU-UHFFFAOYSA-N -1 3 384.400 0.700 20 0 GCADHM CC(=O)NCc1ccc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573532929 946706598 /nfs/dbraw/zinc/70/65/98/946706598.db2.gz ATRAFVANMWGUFA-UHFFFAOYSA-N -1 3 380.412 0.897 20 0 GCADHM CC(=O)NCc1ccc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573532929 946706606 /nfs/dbraw/zinc/70/66/06/946706606.db2.gz ATRAFVANMWGUFA-UHFFFAOYSA-N -1 3 380.412 0.897 20 0 GCADHM C[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824441149 946710977 /nfs/dbraw/zinc/71/09/77/946710977.db2.gz OHDPTICTJKJPCV-QMMMGPOBSA-N -1 3 390.791 0.141 20 0 GCADHM C[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824441149 946710986 /nfs/dbraw/zinc/71/09/86/946710986.db2.gz OHDPTICTJKJPCV-QMMMGPOBSA-N -1 3 390.791 0.141 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)C ZINC001573535254 946718881 /nfs/dbraw/zinc/71/88/81/946718881.db2.gz AAVJOTRDLALPFH-CQSZACIVSA-N -1 3 377.474 0.389 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001573536008 946729866 /nfs/dbraw/zinc/72/98/66/946729866.db2.gz NUUQQTZJQBGKTM-SWLSCSKDSA-N -1 3 391.501 0.779 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001573536008 946729872 /nfs/dbraw/zinc/72/98/72/946729872.db2.gz NUUQQTZJQBGKTM-SWLSCSKDSA-N -1 3 391.501 0.779 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)C1CC1)C(C)C ZINC001573536144 946730758 /nfs/dbraw/zinc/73/07/58/946730758.db2.gz PYQQPLHWLLYSJD-LSDHHAIUSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)C1CC1)C(C)C ZINC001573536144 946730768 /nfs/dbraw/zinc/73/07/68/946730768.db2.gz PYQQPLHWLLYSJD-LSDHHAIUSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573536316 946732549 /nfs/dbraw/zinc/73/25/49/946732549.db2.gz SPOYXDOTUMBZIC-BDJLRTHQSA-N -1 3 388.476 0.672 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573536316 946732559 /nfs/dbraw/zinc/73/25/59/946732559.db2.gz SPOYXDOTUMBZIC-BDJLRTHQSA-N -1 3 388.476 0.672 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1)C(C)C ZINC001573536380 946735495 /nfs/dbraw/zinc/73/54/95/946735495.db2.gz VDIDRYKJPWHTLT-MRXNPFEDSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1)C(C)C ZINC001573536380 946735507 /nfs/dbraw/zinc/73/55/07/946735507.db2.gz VDIDRYKJPWHTLT-MRXNPFEDSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573536622 946738744 /nfs/dbraw/zinc/73/87/44/946738744.db2.gz ZKORRFXNWBFEKS-XJKSGUPXSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573536622 946738754 /nfs/dbraw/zinc/73/87/54/946738754.db2.gz ZKORRFXNWBFEKS-XJKSGUPXSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573537073 946742306 /nfs/dbraw/zinc/74/23/06/946742306.db2.gz GLNSVXPSFVVGMT-ZBCRRDGASA-N -1 3 386.460 0.824 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573537073 946742313 /nfs/dbraw/zinc/74/23/13/946742313.db2.gz GLNSVXPSFVVGMT-ZBCRRDGASA-N -1 3 386.460 0.824 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)C(C)C ZINC001573537051 946742530 /nfs/dbraw/zinc/74/25/30/946742530.db2.gz FWRYEKLNJNGEEE-GXTWGEPZSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)C(C)C ZINC001573537051 946742532 /nfs/dbraw/zinc/74/25/32/946742532.db2.gz FWRYEKLNJNGEEE-GXTWGEPZSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537123 946745463 /nfs/dbraw/zinc/74/54/63/946745463.db2.gz IDTQFXIUOGCWMN-DZGCQCFKSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537123 946745468 /nfs/dbraw/zinc/74/54/68/946745468.db2.gz IDTQFXIUOGCWMN-DZGCQCFKSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC001573537661 946754269 /nfs/dbraw/zinc/75/42/69/946754269.db2.gz ILVMBSIYDLIUJY-HNNXBMFYSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC001573537661 946754274 /nfs/dbraw/zinc/75/42/74/946754274.db2.gz ILVMBSIYDLIUJY-HNNXBMFYSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573537676 946755923 /nfs/dbraw/zinc/75/59/23/946755923.db2.gz JABGMJOIUKRRPF-NSHDSACASA-N -1 3 377.474 0.946 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573537676 946755927 /nfs/dbraw/zinc/75/59/27/946755927.db2.gz JABGMJOIUKRRPF-NSHDSACASA-N -1 3 377.474 0.946 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573538223 946764881 /nfs/dbraw/zinc/76/48/81/946764881.db2.gz QAMYYRZKUCBZDP-BBRMVZONSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573538223 946764887 /nfs/dbraw/zinc/76/48/87/946764887.db2.gz QAMYYRZKUCBZDP-BBRMVZONSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@H](NC(N)=O)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824537984 946774571 /nfs/dbraw/zinc/77/45/71/946774571.db2.gz GNUZOKUTYVHBDZ-ZETCQYMHSA-N -1 3 375.780 0.701 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573540392 946775271 /nfs/dbraw/zinc/77/52/71/946775271.db2.gz CGEFCJYZPVVVTD-XHDPSFHLSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573540392 946775281 /nfs/dbraw/zinc/77/52/81/946775281.db2.gz CGEFCJYZPVVVTD-XHDPSFHLSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)c1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001573540618 946778227 /nfs/dbraw/zinc/77/82/27/946778227.db2.gz IDGGGPKJOXWBIY-SMDDNHRTSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)c1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001573540618 946778236 /nfs/dbraw/zinc/77/82/36/946778236.db2.gz IDGGGPKJOXWBIY-SMDDNHRTSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573540619 946778416 /nfs/dbraw/zinc/77/84/16/946778416.db2.gz IDUPVORZOFGFNQ-IINYFYTJSA-N -1 3 392.439 0.868 20 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CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573540638 946782016 /nfs/dbraw/zinc/78/20/16/946782016.db2.gz IUBIYDWBQQMSNH-LSDHHAIUSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573540638 946782024 /nfs/dbraw/zinc/78/20/24/946782024.db2.gz IUBIYDWBQQMSNH-LSDHHAIUSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573541031 946783067 /nfs/dbraw/zinc/78/30/67/946783067.db2.gz MOJXEGRLJBPZMZ-OAHLLOKOSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573541031 946783072 /nfs/dbraw/zinc/78/30/72/946783072.db2.gz MOJXEGRLJBPZMZ-OAHLLOKOSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@H](C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1)C(C)(C)C ZINC001573541183 946783807 /nfs/dbraw/zinc/78/38/07/946783807.db2.gz NXIGVABTRJCNHZ-CYBMUJFWSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1)C(C)(C)C ZINC001573541183 946783815 /nfs/dbraw/zinc/78/38/15/946783815.db2.gz NXIGVABTRJCNHZ-CYBMUJFWSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCN(C)c1nc(C)ccc1-c1nnn[n-]1)C(C)(C)C ZINC001573541335 946786610 /nfs/dbraw/zinc/78/66/10/946786610.db2.gz QGSWRANEONXLCW-CQSZACIVSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCN(C)c1nc(C)ccc1-c1nn[n-]n1)C(C)(C)C ZINC001573541335 946786617 /nfs/dbraw/zinc/78/66/17/946786617.db2.gz QGSWRANEONXLCW-CQSZACIVSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573541668 946787751 /nfs/dbraw/zinc/78/77/51/946787751.db2.gz VRSKNIAMMLTZNU-UMVBOHGHSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573541668 946787756 /nfs/dbraw/zinc/78/77/56/946787756.db2.gz VRSKNIAMMLTZNU-UMVBOHGHSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573542260 946794444 /nfs/dbraw/zinc/79/44/44/946794444.db2.gz DPHQZIIDMFZGRC-VNHYZAJKSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573542260 946794449 /nfs/dbraw/zinc/79/44/49/946794449.db2.gz DPHQZIIDMFZGRC-VNHYZAJKSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)Nc1cc(C(=O)NCCN(C)c2ncccc2-c2nnn[n-]2)ccn1 ZINC001573542708 946800560 /nfs/dbraw/zinc/80/05/60/946800560.db2.gz MCNSEMHLCOKSEX-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1cc(C(=O)NCCN(C)c2ncccc2-c2nn[n-]n2)ccn1 ZINC001573542708 946800582 /nfs/dbraw/zinc/80/05/82/946800582.db2.gz MCNSEMHLCOKSEX-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001573547330 946833221 /nfs/dbraw/zinc/83/32/21/946833221.db2.gz KDOQMTIGPCTSRL-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001573547330 946833233 /nfs/dbraw/zinc/83/32/33/946833233.db2.gz KDOQMTIGPCTSRL-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001573547572 946839231 /nfs/dbraw/zinc/83/92/31/946839231.db2.gz PMYWFJXJNIRFKW-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001573547572 946839239 /nfs/dbraw/zinc/83/92/39/946839239.db2.gz PMYWFJXJNIRFKW-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573548015 946842744 /nfs/dbraw/zinc/84/27/44/946842744.db2.gz BBYJVWHAHVMQOI-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573548015 946842754 /nfs/dbraw/zinc/84/27/54/946842754.db2.gz BBYJVWHAHVMQOI-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC001573547912 946843743 /nfs/dbraw/zinc/84/37/43/946843743.db2.gz YFPXHTQTIOEVHW-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC001573547912 946843755 /nfs/dbraw/zinc/84/37/55/946843755.db2.gz YFPXHTQTIOEVHW-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573548928 946862256 /nfs/dbraw/zinc/86/22/56/946862256.db2.gz XFLDSWXVJIJTCR-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573548928 946862270 /nfs/dbraw/zinc/86/22/70/946862270.db2.gz XFLDSWXVJIJTCR-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(C)[C@H]1CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640390 946879838 /nfs/dbraw/zinc/87/98/38/946879838.db2.gz HPJDHECEMNIBND-BXUZGUMPSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)[C@H]1CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640390 946879849 /nfs/dbraw/zinc/87/98/49/946879849.db2.gz HPJDHECEMNIBND-BXUZGUMPSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)O)cc1-c1nnn[n-]1 ZINC000824690023 946899334 /nfs/dbraw/zinc/89/93/34/946899334.db2.gz PGHXHECHQXLEIU-MNOVXSKESA-N -1 3 376.417 0.868 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)O)cc1-c1nn[n-]n1 ZINC000824690023 946899346 /nfs/dbraw/zinc/89/93/46/946899346.db2.gz PGHXHECHQXLEIU-MNOVXSKESA-N -1 3 376.417 0.868 20 0 GCADHM CC(=O)c1cccc(OCC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)c1 ZINC001573555194 946907343 /nfs/dbraw/zinc/90/73/43/946907343.db2.gz FPBHAVBXFBWGHC-UHFFFAOYSA-N -1 3 383.368 0.814 20 0 GCADHM CC(=O)c1cccc(OCC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)c1 ZINC001573555194 946907351 /nfs/dbraw/zinc/90/73/51/946907351.db2.gz FPBHAVBXFBWGHC-UHFFFAOYSA-N -1 3 383.368 0.814 20 0 GCADHM CC(=O)c1cn(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)nn1 ZINC001573557943 946934003 /nfs/dbraw/zinc/93/40/03/946934003.db2.gz CDIWZNXSDQNXFL-UHFFFAOYSA-N -1 3 378.299 0.901 20 0 GCADHM CC(=O)c1cn(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)nn1 ZINC001573557943 946934021 /nfs/dbraw/zinc/93/40/21/946934021.db2.gz CDIWZNXSDQNXFL-UHFFFAOYSA-N -1 3 378.299 0.901 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824807956 946940173 /nfs/dbraw/zinc/94/01/73/946940173.db2.gz NWJUUIHBJRAFLR-UHFFFAOYSA-N -1 3 390.469 0.888 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824807956 946940184 /nfs/dbraw/zinc/94/01/84/946940184.db2.gz NWJUUIHBJRAFLR-UHFFFAOYSA-N -1 3 390.469 0.888 20 0 GCADHM C[C@]1(C2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000824817560 946941479 /nfs/dbraw/zinc/94/14/79/946941479.db2.gz OVKKATBYGKPNOC-QGZVFWFLSA-N -1 3 381.400 0.329 20 0 GCADHM C[C@]1(C2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000824817560 946941487 /nfs/dbraw/zinc/94/14/87/946941487.db2.gz OVKKATBYGKPNOC-QGZVFWFLSA-N -1 3 381.400 0.329 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)O1 ZINC000824819255 946943821 /nfs/dbraw/zinc/94/38/21/946943821.db2.gz ZQDLEMMVQSUQCR-LBPRGKRZSA-N -1 3 388.432 0.245 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)O1 ZINC000824819255 946943831 /nfs/dbraw/zinc/94/38/31/946943831.db2.gz ZQDLEMMVQSUQCR-LBPRGKRZSA-N -1 3 388.432 0.245 20 0 GCADHM C[C@H]1CN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCS1(=O)=O ZINC000824985205 947027724 /nfs/dbraw/zinc/02/77/24/947027724.db2.gz SYNVGNNAYGLMHC-WFASDCNBSA-N -1 3 390.469 0.481 20 0 GCADHM C[C@H]1CN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCS1(=O)=O ZINC000824985205 947027737 /nfs/dbraw/zinc/02/77/37/947027737.db2.gz SYNVGNNAYGLMHC-WFASDCNBSA-N -1 3 390.469 0.481 20 0 GCADHM CCC(CC)[C@@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)N1CCOCC1 ZINC000825097014 947076276 /nfs/dbraw/zinc/07/62/76/947076276.db2.gz RXJZNWYPFOKRGW-OAHLLOKOSA-N -1 3 391.476 0.959 20 0 GCADHM CCC(CC)[C@@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)N1CCOCC1 ZINC000825097014 947076293 /nfs/dbraw/zinc/07/62/93/947076293.db2.gz RXJZNWYPFOKRGW-OAHLLOKOSA-N -1 3 391.476 0.959 20 0 GCADHM CC[C@H]1CN(CCn2cccn2)CCN1C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825209800 947119925 /nfs/dbraw/zinc/11/99/25/947119925.db2.gz CPXNMZCULZGDMK-AWEZNQCLSA-N -1 3 399.459 0.525 20 0 GCADHM CC[C@H]1CN(CCn2cccn2)CCN1C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825209800 947119940 /nfs/dbraw/zinc/11/99/40/947119940.db2.gz CPXNMZCULZGDMK-AWEZNQCLSA-N -1 3 399.459 0.525 20 0 GCADHM CCC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN1Cc1ccccc1 ZINC000825255904 947132839 /nfs/dbraw/zinc/13/28/39/947132839.db2.gz ZPHWYPHLUJQJTM-INIZCTEOSA-N -1 3 395.471 0.971 20 0 GCADHM CCC[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1Cc1ccccc1 ZINC000825255904 947132846 /nfs/dbraw/zinc/13/28/46/947132846.db2.gz ZPHWYPHLUJQJTM-INIZCTEOSA-N -1 3 395.471 0.971 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCc2cn(C)nn2)cc1-c1nnn[n-]1 ZINC000825539897 947215437 /nfs/dbraw/zinc/21/54/37/947215437.db2.gz RBCMFYHLHPPYRY-UHFFFAOYSA-N -1 3 386.376 0.885 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCc2cn(C)nn2)cc1-c1nn[n-]n1 ZINC000825539897 947215442 /nfs/dbraw/zinc/21/54/42/947215442.db2.gz RBCMFYHLHPPYRY-UHFFFAOYSA-N -1 3 386.376 0.885 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC(CC)(CO)CO)cc1-c1nnn[n-]1 ZINC000825538809 947216317 /nfs/dbraw/zinc/21/63/17/947216317.db2.gz KFOKUUUDWMVKFT-UHFFFAOYSA-N -1 3 393.404 0.690 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC(CC)(CO)CO)cc1-c1nn[n-]n1 ZINC000825538809 947216325 /nfs/dbraw/zinc/21/63/25/947216325.db2.gz KFOKUUUDWMVKFT-UHFFFAOYSA-N -1 3 393.404 0.690 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)N2CCc3ccccc3C2)c1-c1nnn[n-]1 ZINC000825564794 947221211 /nfs/dbraw/zinc/22/12/11/947221211.db2.gz FTKWHLBRWZHXMS-UHFFFAOYSA-N -1 3 381.396 0.825 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)N2CC(=O)Nc3ccccc32)c1-c1nnn[n-]1 ZINC000825565264 947226083 /nfs/dbraw/zinc/22/60/83/947226083.db2.gz PMCLMWOBSVXNNM-UHFFFAOYSA-N -1 3 396.367 0.225 20 0 GCADHM CCOC(=O)c1cnn(CCNC(=O)OCC(F)(F)F)c1-c1nnn[n-]1 ZINC000825570734 947230125 /nfs/dbraw/zinc/23/01/25/947230125.db2.gz ODHCITUIHYHQTH-UHFFFAOYSA-N -1 3 377.283 0.528 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC001573585185 947250093 /nfs/dbraw/zinc/25/00/93/947250093.db2.gz CVOHWIZKLASKCQ-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC001573585185 947250105 /nfs/dbraw/zinc/25/01/05/947250105.db2.gz CVOHWIZKLASKCQ-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573585642 947262317 /nfs/dbraw/zinc/26/23/17/947262317.db2.gz HJHUPLNKYCIINN-QWHCGFSZSA-N -1 3 388.476 0.644 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825662852 947280171 /nfs/dbraw/zinc/28/01/71/947280171.db2.gz CGNBIJPVVVAGDT-HNNXBMFYSA-N -1 3 392.485 0.729 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825662852 947280185 /nfs/dbraw/zinc/28/01/85/947280185.db2.gz CGNBIJPVVVAGDT-HNNXBMFYSA-N -1 3 392.485 0.729 20 0 GCADHM C[C@H](C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)n1cncn1 ZINC001573586326 947284240 /nfs/dbraw/zinc/28/42/40/947284240.db2.gz OFQAEXOZFCXBDY-BXUZGUMPSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)n1cncn1 ZINC001573586326 947284261 /nfs/dbraw/zinc/28/42/61/947284261.db2.gz OFQAEXOZFCXBDY-BXUZGUMPSA-N -1 3 382.432 0.763 20 0 GCADHM CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000825679782 947285268 /nfs/dbraw/zinc/28/52/68/947285268.db2.gz GAUGLFDUFIPSJY-LLVKDONJSA-N -1 3 397.395 0.880 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573586793 947293117 /nfs/dbraw/zinc/29/31/17/947293117.db2.gz TWOUWVNJRAGPHQ-LBPRGKRZSA-N -1 3 376.465 0.454 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573586793 947293134 /nfs/dbraw/zinc/29/31/34/947293134.db2.gz TWOUWVNJRAGPHQ-LBPRGKRZSA-N -1 3 376.465 0.454 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573586743 947294300 /nfs/dbraw/zinc/29/43/00/947294300.db2.gz SCVJOVJKZPHCQP-LBPRGKRZSA-N -1 3 376.465 0.454 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573586959 947296318 /nfs/dbraw/zinc/29/63/18/947296318.db2.gz UYHSYXYEYOHQHD-TZMCWYRMSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573591395 947308691 /nfs/dbraw/zinc/30/86/91/947308691.db2.gz BGZQMUIVMDXCAJ-LRDDRELGSA-N -1 3 383.456 0.424 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573591395 947308704 /nfs/dbraw/zinc/30/87/04/947308704.db2.gz BGZQMUIVMDXCAJ-LRDDRELGSA-N -1 3 383.456 0.424 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573591405 947310747 /nfs/dbraw/zinc/31/07/47/947310747.db2.gz BIAOAZXXLPYNNW-WFASDCNBSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573591405 947310762 /nfs/dbraw/zinc/31/07/62/947310762.db2.gz BIAOAZXXLPYNNW-WFASDCNBSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001573591514 947313685 /nfs/dbraw/zinc/31/36/85/947313685.db2.gz CCXGDNMEMCEDPB-UKRRQHHQSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001573591514 947313699 /nfs/dbraw/zinc/31/36/99/947313699.db2.gz CCXGDNMEMCEDPB-UKRRQHHQSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573591741 947321301 /nfs/dbraw/zinc/32/13/01/947321301.db2.gz FBHZOQMHUSETSP-GXSJLCMTSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573591741 947321317 /nfs/dbraw/zinc/32/13/17/947321317.db2.gz FBHZOQMHUSETSP-GXSJLCMTSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)c1ccco1 ZINC001573591834 947321803 /nfs/dbraw/zinc/32/18/03/947321803.db2.gz GHHDFVMMKRXLKK-STQMWFEESA-N -1 3 385.428 0.914 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)c1ccco1 ZINC001573591834 947321816 /nfs/dbraw/zinc/32/18/16/947321816.db2.gz GHHDFVMMKRXLKK-STQMWFEESA-N -1 3 385.428 0.914 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573592267 947332634 /nfs/dbraw/zinc/33/26/34/947332634.db2.gz BTNCOENOXGRDMY-OIKLOGQESA-N -1 3 386.395 0.655 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573592267 947332646 /nfs/dbraw/zinc/33/26/46/947332646.db2.gz BTNCOENOXGRDMY-OIKLOGQESA-N -1 3 386.395 0.655 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573592704 947346432 /nfs/dbraw/zinc/34/64/32/947346432.db2.gz FQTJCRUHHYCDLY-LMWSTFAQSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573592704 947346441 /nfs/dbraw/zinc/34/64/41/947346441.db2.gz FQTJCRUHHYCDLY-LMWSTFAQSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573592993 947357862 /nfs/dbraw/zinc/35/78/62/947357862.db2.gz HMJUPDWRYPNISJ-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573592993 947357877 /nfs/dbraw/zinc/35/78/77/947357877.db2.gz HMJUPDWRYPNISJ-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM CN(C)c1nccc(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC000825888192 947357834 /nfs/dbraw/zinc/35/78/34/947357834.db2.gz ONNFRKBVIHOQRH-UHFFFAOYSA-N -1 3 383.420 0.029 20 0 GCADHM CN(C)c1nccc(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC000825888192 947357843 /nfs/dbraw/zinc/35/78/43/947357843.db2.gz ONNFRKBVIHOQRH-UHFFFAOYSA-N -1 3 383.420 0.029 20 0 GCADHM CN(CCN1CCCC1=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825938918 947377406 /nfs/dbraw/zinc/37/74/06/947377406.db2.gz ZCPJZHCORSNIJP-INIZCTEOSA-N -1 3 383.456 0.916 20 0 GCADHM CN(CCN1CCCS1(=O)=O)c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000825938698 947379603 /nfs/dbraw/zinc/37/96/03/947379603.db2.gz WLBWBNZJMAHVDC-UHFFFAOYSA-N -1 3 377.474 0.612 20 0 GCADHM CN(CCN1CCCS1(=O)=O)c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000825938698 947379617 /nfs/dbraw/zinc/37/96/17/947379617.db2.gz WLBWBNZJMAHVDC-UHFFFAOYSA-N -1 3 377.474 0.612 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573594085 947384984 /nfs/dbraw/zinc/38/49/84/947384984.db2.gz XFSBTDSHJTYSPS-ZFWWWQNUSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573594085 947384993 /nfs/dbraw/zinc/38/49/93/947384993.db2.gz XFSBTDSHJTYSPS-ZFWWWQNUSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573594865 947408787 /nfs/dbraw/zinc/40/87/87/947408787.db2.gz DCHDFNRLYMEPHG-SMDDNHRTSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573594865 947408792 /nfs/dbraw/zinc/40/87/92/947408792.db2.gz DCHDFNRLYMEPHG-SMDDNHRTSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573594914 947410457 /nfs/dbraw/zinc/41/04/57/947410457.db2.gz DXXQLNOXCWCSET-PSASIEDQSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573594914 947410460 /nfs/dbraw/zinc/41/04/60/947410460.db2.gz DXXQLNOXCWCSET-PSASIEDQSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573594991 947412211 /nfs/dbraw/zinc/41/22/11/947412211.db2.gz VZEUODUUFFWZLU-OIKLOGQESA-N -1 3 379.446 0.096 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573594991 947412222 /nfs/dbraw/zinc/41/22/22/947412222.db2.gz VZEUODUUFFWZLU-OIKLOGQESA-N -1 3 379.446 0.096 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573595008 947413690 /nfs/dbraw/zinc/41/36/90/947413690.db2.gz WJNMGNKIZGRAOB-QWHCGFSZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573595008 947413697 /nfs/dbraw/zinc/41/36/97/947413697.db2.gz WJNMGNKIZGRAOB-QWHCGFSZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573595332 947419184 /nfs/dbraw/zinc/41/91/84/947419184.db2.gz XTLBMFYMLMTKDW-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573595332 947419191 /nfs/dbraw/zinc/41/91/91/947419191.db2.gz XTLBMFYMLMTKDW-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM CN1CCO[C@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)C1 ZINC000826044915 947420077 /nfs/dbraw/zinc/42/00/77/947420077.db2.gz MQHXSZBQCGQZFS-ZDUSSCGKSA-N -1 3 388.819 0.975 20 0 GCADHM CN1CCO[C@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)C1 ZINC000826044915 947420083 /nfs/dbraw/zinc/42/00/83/947420083.db2.gz MQHXSZBQCGQZFS-ZDUSSCGKSA-N -1 3 388.819 0.975 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573595503 947422313 /nfs/dbraw/zinc/42/23/13/947422313.db2.gz GKXDULYIADNIMI-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573595503 947422318 /nfs/dbraw/zinc/42/23/18/947422318.db2.gz GKXDULYIADNIMI-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM CNS(=O)(=O)CCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826090701 947423908 /nfs/dbraw/zinc/42/39/08/947423908.db2.gz LJADBMZHBAHVMV-UHFFFAOYSA-N -1 3 391.356 0.451 20 0 GCADHM CNS(=O)(=O)CCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826090701 947423917 /nfs/dbraw/zinc/42/39/17/947423917.db2.gz LJADBMZHBAHVMV-UHFFFAOYSA-N -1 3 391.356 0.451 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573596101 947426426 /nfs/dbraw/zinc/42/64/26/947426426.db2.gz INAUGKISULUNHJ-APPZFPTMSA-N -1 3 391.329 0.830 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573596101 947426434 /nfs/dbraw/zinc/42/64/34/947426434.db2.gz INAUGKISULUNHJ-APPZFPTMSA-N -1 3 391.329 0.830 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1)c1cccnc1 ZINC001573597866 947440690 /nfs/dbraw/zinc/44/06/90/947440690.db2.gz PCRSHOGITYYYSZ-JSGCOSHPSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1)c1cccnc1 ZINC001573597866 947440697 /nfs/dbraw/zinc/44/06/97/947440697.db2.gz PCRSHOGITYYYSZ-JSGCOSHPSA-N -1 3 382.428 0.692 20 0 GCADHM COC(=O)[C@]1(F)CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826123543 947441142 /nfs/dbraw/zinc/44/11/42/947441142.db2.gz GBOXAZSMMUNYPW-KDOFPFPSSA-N -1 3 388.403 0.949 20 0 GCADHM COC(=O)[C@]1(F)CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826123543 947441146 /nfs/dbraw/zinc/44/11/46/947441146.db2.gz GBOXAZSMMUNYPW-KDOFPFPSSA-N -1 3 388.403 0.949 20 0 GCADHM COC(=O)[C@@]1(F)CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826123545 947441373 /nfs/dbraw/zinc/44/13/73/947441373.db2.gz GBOXAZSMMUNYPW-RDTXWAMCSA-N -1 3 388.403 0.949 20 0 GCADHM COC(=O)[C@@]1(F)CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826123545 947441378 /nfs/dbraw/zinc/44/13/78/947441378.db2.gz GBOXAZSMMUNYPW-RDTXWAMCSA-N -1 3 388.403 0.949 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCC(=O)N1 ZINC001573598421 947441977 /nfs/dbraw/zinc/44/19/77/947441977.db2.gz QTRCAEHONXVYCI-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCC(=O)N1 ZINC001573598421 947441983 /nfs/dbraw/zinc/44/19/83/947441983.db2.gz QTRCAEHONXVYCI-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001573598317 947443147 /nfs/dbraw/zinc/44/31/47/947443147.db2.gz QBBQKZONHZXHKQ-FZMZJTMJSA-N -1 3 385.432 0.030 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001573598317 947443154 /nfs/dbraw/zinc/44/31/54/947443154.db2.gz QBBQKZONHZXHKQ-FZMZJTMJSA-N -1 3 385.432 0.030 20 0 GCADHM COC(=O)C1(O)CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000826129655 947443766 /nfs/dbraw/zinc/44/37/66/947443766.db2.gz XQZLRQROKJUQEM-UHFFFAOYSA-N -1 3 383.355 0.968 20 0 GCADHM COC(=O)C1(O)CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000826129655 947443775 /nfs/dbraw/zinc/44/37/75/947443775.db2.gz XQZLRQROKJUQEM-UHFFFAOYSA-N -1 3 383.355 0.968 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573598968 947447604 /nfs/dbraw/zinc/44/76/04/947447604.db2.gz SPXYEKYCGAOGFU-CMPLNLGQSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573598968 947447610 /nfs/dbraw/zinc/44/76/10/947447610.db2.gz SPXYEKYCGAOGFU-CMPLNLGQSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573599198 947452503 /nfs/dbraw/zinc/45/25/03/947452503.db2.gz VSQJWOZZZUVRRF-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573599198 947452511 /nfs/dbraw/zinc/45/25/11/947452511.db2.gz VSQJWOZZZUVRRF-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573599623 947457758 /nfs/dbraw/zinc/45/77/58/947457758.db2.gz YVRRRTBEOFQRCD-RYUDHWBXSA-N -1 3 387.473 0.814 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001573599623 947457769 /nfs/dbraw/zinc/45/77/69/947457769.db2.gz YVRRRTBEOFQRCD-RYUDHWBXSA-N -1 3 387.473 0.814 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573601699 947463581 /nfs/dbraw/zinc/46/35/81/947463581.db2.gz AVUMHDYFYDUMSB-LBPRGKRZSA-N -1 3 387.423 0.749 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573601699 947463585 /nfs/dbraw/zinc/46/35/85/947463585.db2.gz AVUMHDYFYDUMSB-LBPRGKRZSA-N -1 3 387.423 0.749 20 0 GCADHM C[C@H](C(=O)N(C)CCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573602687 947471486 /nfs/dbraw/zinc/47/14/86/947471486.db2.gz GYFRJMLLIXKIDW-ZDUSSCGKSA-N -1 3 385.476 0.283 20 0 GCADHM C[C@@H](C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573603291 947482141 /nfs/dbraw/zinc/48/21/41/947482141.db2.gz JSWXNUYEXCTGNK-LLVKDONJSA-N -1 3 375.433 0.446 20 0 GCADHM C[C@@H](C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573603291 947482150 /nfs/dbraw/zinc/48/21/50/947482150.db2.gz JSWXNUYEXCTGNK-LLVKDONJSA-N -1 3 375.433 0.446 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccn1 ZINC001573603213 947482291 /nfs/dbraw/zinc/48/22/91/947482291.db2.gz FAIWOQWYLGOZGJ-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccn1 ZINC001573603213 947482296 /nfs/dbraw/zinc/48/22/96/947482296.db2.gz FAIWOQWYLGOZGJ-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)[C@@H]1CCCO1 ZINC001573603411 947487942 /nfs/dbraw/zinc/48/79/42/947487942.db2.gz GIQJLNVIIVDTCR-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)[C@@H]1CCCO1 ZINC001573603411 947487951 /nfs/dbraw/zinc/48/79/51/947487951.db2.gz GIQJLNVIIVDTCR-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573603532 947488751 /nfs/dbraw/zinc/48/87/51/947488751.db2.gz MQSGADAZOMCVRQ-AAEUAGOBSA-N -1 3 389.435 0.815 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573603532 947488759 /nfs/dbraw/zinc/48/87/59/947488759.db2.gz MQSGADAZOMCVRQ-AAEUAGOBSA-N -1 3 389.435 0.815 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001573603606 947491432 /nfs/dbraw/zinc/49/14/32/947491432.db2.gz IKMZYRPYSXWBGW-OCCSQVGLSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001573603606 947491442 /nfs/dbraw/zinc/49/14/42/947491442.db2.gz IKMZYRPYSXWBGW-OCCSQVGLSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573603599 947491556 /nfs/dbraw/zinc/49/15/56/947491556.db2.gz IIDLNYOTYVHNKR-NSHDSACASA-N -1 3 387.400 0.142 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573603599 947491560 /nfs/dbraw/zinc/49/15/60/947491560.db2.gz IIDLNYOTYVHNKR-NSHDSACASA-N -1 3 387.400 0.142 20 0 GCADHM C[C@H](C(=O)N(C)CCOCCNc1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573603672 947495163 /nfs/dbraw/zinc/49/51/63/947495163.db2.gz JNKPAXBKXMSZQM-CYBMUJFWSA-N -1 3 385.432 0.606 20 0 GCADHM C[C@H](C(=O)N(C)CCOCCNc1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573603672 947495172 /nfs/dbraw/zinc/49/51/72/947495172.db2.gz JNKPAXBKXMSZQM-CYBMUJFWSA-N -1 3 385.432 0.606 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)[C@@H]1CCCO1 ZINC001573603794 947497793 /nfs/dbraw/zinc/49/77/93/947497793.db2.gz JWIMXJJRJIOVIK-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)[C@@H]1CCCO1 ZINC001573603794 947497799 /nfs/dbraw/zinc/49/77/99/947497799.db2.gz JWIMXJJRJIOVIK-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826160262 947503823 /nfs/dbraw/zinc/50/38/23/947503823.db2.gz LNGYEVMKAANXDW-HNNXBMFYSA-N -1 3 383.412 0.299 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826160262 947503832 /nfs/dbraw/zinc/50/38/32/947503832.db2.gz LNGYEVMKAANXDW-HNNXBMFYSA-N -1 3 383.412 0.299 20 0 GCADHM COCCOCCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826160879 947507498 /nfs/dbraw/zinc/50/74/98/947507498.db2.gz KNJMVZUUZMPLRR-HNNXBMFYSA-N -1 3 376.417 0.613 20 0 GCADHM COCCOCCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826160879 947507503 /nfs/dbraw/zinc/50/75/03/947507503.db2.gz KNJMVZUUZMPLRR-HNNXBMFYSA-N -1 3 376.417 0.613 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)c1cccnc1 ZINC001573604715 947516255 /nfs/dbraw/zinc/51/62/55/947516255.db2.gz QEMLEVRNSIURFN-CYBMUJFWSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC001573604715 947516262 /nfs/dbraw/zinc/51/62/62/947516262.db2.gz QEMLEVRNSIURFN-CYBMUJFWSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573606883 947535173 /nfs/dbraw/zinc/53/51/73/947535173.db2.gz AAZMVIBTYGNDAM-LLVKDONJSA-N -1 3 387.444 0.540 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573606883 947535182 /nfs/dbraw/zinc/53/51/82/947535182.db2.gz AAZMVIBTYGNDAM-LLVKDONJSA-N -1 3 387.444 0.540 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573607101 947540945 /nfs/dbraw/zinc/54/09/45/947540945.db2.gz FOQIOZQNTNHILF-JTQLQIEISA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573607101 947540955 /nfs/dbraw/zinc/54/09/55/947540955.db2.gz FOQIOZQNTNHILF-JTQLQIEISA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573607289 947544205 /nfs/dbraw/zinc/54/42/05/947544205.db2.gz JBPUMNLAAPVSHV-JTQLQIEISA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573607289 947544216 /nfs/dbraw/zinc/54/42/16/947544216.db2.gz JBPUMNLAAPVSHV-JTQLQIEISA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573607302 947544270 /nfs/dbraw/zinc/54/42/70/947544270.db2.gz JFBXYCNQFIQHJX-NSHDSACASA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573607302 947544288 /nfs/dbraw/zinc/54/42/88/947544288.db2.gz JFBXYCNQFIQHJX-NSHDSACASA-N -1 3 387.444 0.446 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NC1(CO)CCOCC1 ZINC000826175932 947545501 /nfs/dbraw/zinc/54/55/01/947545501.db2.gz VIYBQCBISROUGR-UHFFFAOYSA-N -1 3 391.428 0.692 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NC1(CO)CCOCC1 ZINC000826175932 947545510 /nfs/dbraw/zinc/54/55/10/947545510.db2.gz VIYBQCBISROUGR-UHFFFAOYSA-N -1 3 391.428 0.692 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000826176265 947547189 /nfs/dbraw/zinc/54/71/89/947547189.db2.gz IAFBVBZZAAQXFU-LBPRGKRZSA-N -1 3 396.473 0.220 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000826176265 947547196 /nfs/dbraw/zinc/54/71/96/947547196.db2.gz IAFBVBZZAAQXFU-LBPRGKRZSA-N -1 3 396.473 0.220 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573607835 947553092 /nfs/dbraw/zinc/55/30/92/947553092.db2.gz SIXIEXUVFRAVPA-LLVKDONJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573607835 947553103 /nfs/dbraw/zinc/55/31/03/947553103.db2.gz SIXIEXUVFRAVPA-LLVKDONJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2)C1CC1 ZINC001573613447 947562773 /nfs/dbraw/zinc/56/27/73/947562773.db2.gz AJDBICJTWQWLMF-GXFFZTMASA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2)C1CC1 ZINC001573613447 947562779 /nfs/dbraw/zinc/56/27/79/947562779.db2.gz AJDBICJTWQWLMF-GXFFZTMASA-N -1 3 385.428 0.341 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCn2cc(C)nc2C1 ZINC000826185048 947566793 /nfs/dbraw/zinc/56/67/93/947566793.db2.gz WTXCKIAHAKCDIW-UHFFFAOYSA-N -1 3 382.384 0.361 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2cc(C)nc2C1 ZINC000826185048 947566797 /nfs/dbraw/zinc/56/67/97/947566797.db2.gz WTXCKIAHAKCDIW-UHFFFAOYSA-N -1 3 382.384 0.361 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000826184863 947566805 /nfs/dbraw/zinc/56/68/05/947566805.db2.gz NPHBMDRHHNLAGC-FZZIBODNSA-N -1 3 388.428 0.990 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000826184863 947566809 /nfs/dbraw/zinc/56/68/09/947566809.db2.gz NPHBMDRHHNLAGC-FZZIBODNSA-N -1 3 388.428 0.990 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573613699 947569588 /nfs/dbraw/zinc/56/95/88/947569588.db2.gz GUBQNHNQRSIBRP-PXAZEXFGSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573613699 947569598 /nfs/dbraw/zinc/56/95/98/947569598.db2.gz GUBQNHNQRSIBRP-PXAZEXFGSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)(C)C1)n1cncn1 ZINC001573614028 947576584 /nfs/dbraw/zinc/57/65/84/947576584.db2.gz KHSHKERRMGBHTD-RISCZKNCSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C1)n1cncn1 ZINC001573614028 947576593 /nfs/dbraw/zinc/57/65/93/947576593.db2.gz KHSHKERRMGBHTD-RISCZKNCSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573614210 947580121 /nfs/dbraw/zinc/58/01/21/947580121.db2.gz DCSWQIRRHBFNFT-RKDXNWHRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573614210 947580128 /nfs/dbraw/zinc/58/01/28/947580128.db2.gz DCSWQIRRHBFNFT-RKDXNWHRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573614208 947581035 /nfs/dbraw/zinc/58/10/35/947581035.db2.gz DCSWQIRRHBFNFT-DTWKUNHWSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573614208 947581045 /nfs/dbraw/zinc/58/10/45/947581045.db2.gz DCSWQIRRHBFNFT-DTWKUNHWSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573615123 947599608 /nfs/dbraw/zinc/59/96/08/947599608.db2.gz RIOOOGZAJMRLSZ-YVEFUNNKSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573615123 947599615 /nfs/dbraw/zinc/59/96/15/947599615.db2.gz RIOOOGZAJMRLSZ-YVEFUNNKSA-N -1 3 382.432 0.765 20 0 GCADHM C=CS(=O)(=O)CCC(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001573351901 947623725 /nfs/dbraw/zinc/62/37/25/947623725.db2.gz XIXPHVLLFYDLRX-UHFFFAOYSA-N -1 3 388.413 0.393 20 0 GCADHM C=CS(=O)(=O)CCC(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001573351901 947623732 /nfs/dbraw/zinc/62/37/32/947623732.db2.gz XIXPHVLLFYDLRX-UHFFFAOYSA-N -1 3 388.413 0.393 20 0 GCADHM COc1ccc2nc(CN3CCN(c4ncccc4-c4nnn[n-]4)CC3)[nH]c2n1 ZINC000826213905 947625917 /nfs/dbraw/zinc/62/59/17/947625917.db2.gz QXVLHFILAZAZMX-UHFFFAOYSA-N -1 3 392.427 0.864 20 0 GCADHM COc1ccc2nc(CN3CCN(c4ncccc4-c4nn[n-]n4)CC3)[nH]c2n1 ZINC000826213905 947625927 /nfs/dbraw/zinc/62/59/27/947625927.db2.gz QXVLHFILAZAZMX-UHFFFAOYSA-N -1 3 392.427 0.864 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573617618 947639188 /nfs/dbraw/zinc/63/91/88/947639188.db2.gz MGLSJOPYDGFOFL-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573617618 947639196 /nfs/dbraw/zinc/63/91/96/947639196.db2.gz MGLSJOPYDGFOFL-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573617611 947639291 /nfs/dbraw/zinc/63/92/91/947639291.db2.gz MGLSJOPYDGFOFL-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573617611 947639297 /nfs/dbraw/zinc/63/92/97/947639297.db2.gz MGLSJOPYDGFOFL-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573617684 947639810 /nfs/dbraw/zinc/63/98/10/947639810.db2.gz MNHACCZABAUPFC-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573617684 947639817 /nfs/dbraw/zinc/63/98/17/947639817.db2.gz MNHACCZABAUPFC-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573617809 947640620 /nfs/dbraw/zinc/64/06/20/947640620.db2.gz NENXIINNEMADIZ-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573617809 947640630 /nfs/dbraw/zinc/64/06/30/947640630.db2.gz NENXIINNEMADIZ-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573617721 947640936 /nfs/dbraw/zinc/64/09/36/947640936.db2.gz MPUGOZDXNVPTMH-WFASDCNBSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573617721 947640946 /nfs/dbraw/zinc/64/09/46/947640946.db2.gz MPUGOZDXNVPTMH-WFASDCNBSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573618002 947645464 /nfs/dbraw/zinc/64/54/64/947645464.db2.gz OKMOXTXNOGLDJM-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573618002 947645473 /nfs/dbraw/zinc/64/54/73/947645473.db2.gz OKMOXTXNOGLDJM-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573618038 947645730 /nfs/dbraw/zinc/64/57/30/947645730.db2.gz PFYMRRLJORWBTG-IUODEOHRSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573618038 947645738 /nfs/dbraw/zinc/64/57/38/947645738.db2.gz PFYMRRLJORWBTG-IUODEOHRSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@H]1CCCO1 ZINC001573617968 947646073 /nfs/dbraw/zinc/64/60/73/947646073.db2.gz NWEJXLDPDKTCPH-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@H]1CCCO1 ZINC001573617968 947646078 /nfs/dbraw/zinc/64/60/78/947646078.db2.gz NWEJXLDPDKTCPH-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573618288 947647566 /nfs/dbraw/zinc/64/75/66/947647566.db2.gz QFOHTJSIHSVMBU-GXFFZTMASA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573618288 947647576 /nfs/dbraw/zinc/64/75/76/947647576.db2.gz QFOHTJSIHSVMBU-GXFFZTMASA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573618893 947657156 /nfs/dbraw/zinc/65/71/56/947657156.db2.gz SQINUMMDUFMJQZ-APPDUMDISA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573618893 947657161 /nfs/dbraw/zinc/65/71/61/947657161.db2.gz SQINUMMDUFMJQZ-APPDUMDISA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573619183 947659312 /nfs/dbraw/zinc/65/93/12/947659312.db2.gz UPLMYBMTCGMVNB-TZMCWYRMSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573619183 947659318 /nfs/dbraw/zinc/65/93/18/947659318.db2.gz UPLMYBMTCGMVNB-TZMCWYRMSA-N -1 3 381.444 0.836 20 0 GCADHM CS(=O)(=O)CCN1CCC(Nc2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826222748 947659991 /nfs/dbraw/zinc/65/99/91/947659991.db2.gz LBNBCIKORBUBHX-UHFFFAOYSA-N -1 3 390.473 0.435 20 0 GCADHM CS(=O)(=O)CCN1CCC(Nc2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826222748 947659999 /nfs/dbraw/zinc/65/99/99/947659999.db2.gz LBNBCIKORBUBHX-UHFFFAOYSA-N -1 3 390.473 0.435 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826223653 947660114 /nfs/dbraw/zinc/66/01/14/947660114.db2.gz VBHOGXYSXZCHAK-WDEREUQCSA-N -1 3 376.446 0.644 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826223653 947660123 /nfs/dbraw/zinc/66/01/23/947660123.db2.gz VBHOGXYSXZCHAK-WDEREUQCSA-N -1 3 376.446 0.644 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573619573 947666842 /nfs/dbraw/zinc/66/68/42/947666842.db2.gz VTFKCXJKDORJGX-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573619573 947666850 /nfs/dbraw/zinc/66/68/50/947666850.db2.gz VTFKCXJKDORJGX-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001573619850 947671668 /nfs/dbraw/zinc/67/16/68/947671668.db2.gz YHPUYQYCXAZUAJ-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001573619850 947671684 /nfs/dbraw/zinc/67/16/84/947671684.db2.gz YHPUYQYCXAZUAJ-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573619980 947673368 /nfs/dbraw/zinc/67/33/68/947673368.db2.gz ZDEVHFOCCPXGDG-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573619980 947673371 /nfs/dbraw/zinc/67/33/71/947673371.db2.gz ZDEVHFOCCPXGDG-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H]1CN(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCN1S(C)(=O)=O ZINC000826232405 947679673 /nfs/dbraw/zinc/67/96/73/947679673.db2.gz JFNFKEGLXLIGJG-LBPRGKRZSA-N -1 3 393.473 0.161 20 0 GCADHM C[C@H]1CN(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCN1S(C)(=O)=O ZINC000826232405 947679678 /nfs/dbraw/zinc/67/96/78/947679678.db2.gz JFNFKEGLXLIGJG-LBPRGKRZSA-N -1 3 393.473 0.161 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573622574 947681463 /nfs/dbraw/zinc/68/14/63/947681463.db2.gz BBXVZFITYPCRPS-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573622574 947681471 /nfs/dbraw/zinc/68/14/71/947681471.db2.gz BBXVZFITYPCRPS-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C/C(=C\C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573359259 947683535 /nfs/dbraw/zinc/68/35/35/947683535.db2.gz XONXYWLDQSKPEX-JBNJFFQFSA-N -1 3 387.444 0.442 20 0 GCADHM C/C(=C\C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573359259 947683540 /nfs/dbraw/zinc/68/35/40/947683540.db2.gz XONXYWLDQSKPEX-JBNJFFQFSA-N -1 3 387.444 0.442 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573623144 947684782 /nfs/dbraw/zinc/68/47/82/947684782.db2.gz DGDWJWCERCYJKU-BXUZGUMPSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573623144 947684790 /nfs/dbraw/zinc/68/47/90/947684790.db2.gz DGDWJWCERCYJKU-BXUZGUMPSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573623153 947685917 /nfs/dbraw/zinc/68/59/17/947685917.db2.gz DGDWJWCERCYJKU-RISCZKNCSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573623153 947685923 /nfs/dbraw/zinc/68/59/23/947685923.db2.gz DGDWJWCERCYJKU-RISCZKNCSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1)n1cncn1 ZINC001573625238 947699230 /nfs/dbraw/zinc/69/92/30/947699230.db2.gz OPKFISVKPAMJPY-SNVBAGLBSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1)n1cncn1 ZINC001573625238 947699236 /nfs/dbraw/zinc/69/92/36/947699236.db2.gz OPKFISVKPAMJPY-SNVBAGLBSA-N -1 3 386.395 0.656 20 0 GCADHM Cc1nnc(CN2CCN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)CC2)n1C ZINC000826238214 947699973 /nfs/dbraw/zinc/69/99/73/947699973.db2.gz ZTQMOVBUBAJZKV-UHFFFAOYSA-N -1 3 388.867 0.983 20 0 GCADHM Cc1nnc(CN2CCN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)CC2)n1C ZINC000826238214 947699981 /nfs/dbraw/zinc/69/99/81/947699981.db2.gz ZTQMOVBUBAJZKV-UHFFFAOYSA-N -1 3 388.867 0.983 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cncnc1 ZINC001573625622 947703292 /nfs/dbraw/zinc/70/32/92/947703292.db2.gz PRWPEEKBKQWHJI-GWCFXTLKSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cncnc1 ZINC001573625622 947703297 /nfs/dbraw/zinc/70/32/97/947703297.db2.gz PRWPEEKBKQWHJI-GWCFXTLKSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573626311 947707117 /nfs/dbraw/zinc/70/71/17/947707117.db2.gz SVPDNCFVBBFTMM-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573626311 947707125 /nfs/dbraw/zinc/70/71/25/947707125.db2.gz SVPDNCFVBBFTMM-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573626854 947714096 /nfs/dbraw/zinc/71/40/96/947714096.db2.gz WVGWUSGVMWMCJN-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573626854 947714104 /nfs/dbraw/zinc/71/41/04/947714104.db2.gz WVGWUSGVMWMCJN-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccnn1C ZINC001573627079 947716714 /nfs/dbraw/zinc/71/67/14/947716714.db2.gz YLNVUQWAWXHVKX-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccnn1C ZINC001573627079 947716722 /nfs/dbraw/zinc/71/67/22/947716722.db2.gz YLNVUQWAWXHVKX-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM Cc1c(NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)cccc1-c1nnn[n-]1 ZINC000826241299 947717545 /nfs/dbraw/zinc/71/75/45/947717545.db2.gz YBUOUEBWEWUUJR-UHFFFAOYSA-N -1 3 390.367 0.728 20 0 GCADHM Cc1c(NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)cccc1-c1nn[n-]n1 ZINC000826241299 947717552 /nfs/dbraw/zinc/71/75/52/947717552.db2.gz YBUOUEBWEWUUJR-UHFFFAOYSA-N -1 3 390.367 0.728 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccnn1C ZINC001573627081 947717871 /nfs/dbraw/zinc/71/78/71/947717871.db2.gz YLNVUQWAWXHVKX-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccnn1C ZINC001573627081 947717879 /nfs/dbraw/zinc/71/78/79/947717879.db2.gz YLNVUQWAWXHVKX-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573627476 947724085 /nfs/dbraw/zinc/72/40/85/947724085.db2.gz BYWDWBQUNDTQPW-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573627476 947724094 /nfs/dbraw/zinc/72/40/94/947724094.db2.gz BYWDWBQUNDTQPW-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000826247318 947724404 /nfs/dbraw/zinc/72/44/04/947724404.db2.gz ZNVMGCPUXCMLBN-OAHLLOKOSA-N -1 3 394.439 0.830 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000826247318 947724409 /nfs/dbraw/zinc/72/44/09/947724409.db2.gz ZNVMGCPUXCMLBN-OAHLLOKOSA-N -1 3 394.439 0.830 20 0 GCADHM C/C(=C/C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1)C1CC1 ZINC001573366401 947740820 /nfs/dbraw/zinc/74/08/20/947740820.db2.gz WGFNGMVENWEUCO-UZRURVBFSA-N -1 3 383.456 0.984 20 0 GCADHM C/C(=C/C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1)C1CC1 ZINC001573366401 947740828 /nfs/dbraw/zinc/74/08/28/947740828.db2.gz WGFNGMVENWEUCO-UZRURVBFSA-N -1 3 383.456 0.984 20 0 GCADHM C/C(=C/C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1)C1CC1 ZINC001573366397 947740873 /nfs/dbraw/zinc/74/08/73/947740873.db2.gz WGFNGMVENWEUCO-ADYPVZHUSA-N -1 3 383.456 0.984 20 0 GCADHM C/C(=C/C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1)C1CC1 ZINC001573366397 947740881 /nfs/dbraw/zinc/74/08/81/947740881.db2.gz WGFNGMVENWEUCO-ADYPVZHUSA-N -1 3 383.456 0.984 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573628082 947744606 /nfs/dbraw/zinc/74/46/06/947744606.db2.gz IJLRBDICAISAMJ-ZDUSSCGKSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573628082 947744614 /nfs/dbraw/zinc/74/46/14/947744614.db2.gz IJLRBDICAISAMJ-ZDUSSCGKSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573628081 947746143 /nfs/dbraw/zinc/74/61/43/947746143.db2.gz IJLRBDICAISAMJ-CYBMUJFWSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573628081 947746150 /nfs/dbraw/zinc/74/61/50/947746150.db2.gz IJLRBDICAISAMJ-CYBMUJFWSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573628163 947748749 /nfs/dbraw/zinc/74/87/49/947748749.db2.gz FUJGQOKCWYAXJA-TZMCWYRMSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573628163 947748754 /nfs/dbraw/zinc/74/87/54/947748754.db2.gz FUJGQOKCWYAXJA-TZMCWYRMSA-N -1 3 382.432 0.542 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573367348 947760390 /nfs/dbraw/zinc/76/03/90/947760390.db2.gz ZTONVGPRTQVOOF-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573367348 947760397 /nfs/dbraw/zinc/76/03/97/947760397.db2.gz ZTONVGPRTQVOOF-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573628713 947763318 /nfs/dbraw/zinc/76/33/18/947763318.db2.gz NRTVITQAFGBRQP-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573628713 947763325 /nfs/dbraw/zinc/76/33/25/947763325.db2.gz NRTVITQAFGBRQP-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573628715 947763423 /nfs/dbraw/zinc/76/34/23/947763423.db2.gz NRTVITQAFGBRQP-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573628715 947763431 /nfs/dbraw/zinc/76/34/31/947763431.db2.gz NRTVITQAFGBRQP-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628809 947765063 /nfs/dbraw/zinc/76/50/63/947765063.db2.gz OGLXIEBDMYIUQZ-OCCSQVGLSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628809 947765067 /nfs/dbraw/zinc/76/50/67/947765067.db2.gz OGLXIEBDMYIUQZ-OCCSQVGLSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573628915 947767751 /nfs/dbraw/zinc/76/77/51/947767751.db2.gz PCJCLOKVLMBEAT-WDEREUQCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573628915 947767755 /nfs/dbraw/zinc/76/77/55/947767755.db2.gz PCJCLOKVLMBEAT-WDEREUQCSA-N -1 3 379.446 0.098 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573369228 947772278 /nfs/dbraw/zinc/77/22/78/947772278.db2.gz RWZRFOUOKMOCSA-AWEZNQCLSA-N -1 3 389.460 0.585 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573369228 947772285 /nfs/dbraw/zinc/77/22/85/947772285.db2.gz RWZRFOUOKMOCSA-AWEZNQCLSA-N -1 3 389.460 0.585 20 0 GCADHM C[C@@H](C(=O)N1CCCCCC1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573629829 947783036 /nfs/dbraw/zinc/78/30/36/947783036.db2.gz WCRYNTUFINSFIA-ZDUSSCGKSA-N -1 3 388.476 0.648 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573372947 947786933 /nfs/dbraw/zinc/78/69/33/947786933.db2.gz GFPJBFFYAFWXHM-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573372947 947786941 /nfs/dbraw/zinc/78/69/41/947786941.db2.gz GFPJBFFYAFWXHM-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573630093 947788373 /nfs/dbraw/zinc/78/83/73/947788373.db2.gz QLNFAQMQSWMAER-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573630093 947788378 /nfs/dbraw/zinc/78/83/78/947788378.db2.gz QLNFAQMQSWMAER-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573373710 947797824 /nfs/dbraw/zinc/79/78/24/947797824.db2.gz KPTTUPLMUXYRDR-SFHVURJKSA-N -1 3 387.444 0.786 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573373710 947797829 /nfs/dbraw/zinc/79/78/29/947797829.db2.gz KPTTUPLMUXYRDR-SFHVURJKSA-N -1 3 387.444 0.786 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573374023 947801174 /nfs/dbraw/zinc/80/11/74/947801174.db2.gz LZUZTIXXYIGRJC-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573374023 947801180 /nfs/dbraw/zinc/80/11/80/947801180.db2.gz LZUZTIXXYIGRJC-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573374021 947801201 /nfs/dbraw/zinc/80/12/01/947801201.db2.gz LZEPDVFKJQFBTQ-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573374021 947801210 /nfs/dbraw/zinc/80/12/10/947801210.db2.gz LZEPDVFKJQFBTQ-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573374695 947812049 /nfs/dbraw/zinc/81/20/49/947812049.db2.gz LENATCBJUXCEID-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573374695 947812054 /nfs/dbraw/zinc/81/20/54/947812054.db2.gz LENATCBJUXCEID-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC1(CCO)CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573374733 947813785 /nfs/dbraw/zinc/81/37/85/947813785.db2.gz LLZUOOWOYNOOFI-UHFFFAOYSA-N -1 3 386.456 0.679 20 0 GCADHM CC(=O)CCCC(=O)NC1(CCO)CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573374733 947813788 /nfs/dbraw/zinc/81/37/88/947813788.db2.gz LLZUOOWOYNOOFI-UHFFFAOYSA-N -1 3 386.456 0.679 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCCO1 ZINC001573637525 947816715 /nfs/dbraw/zinc/81/67/15/947816715.db2.gz HJPVYNQTXHTZLW-SWLSCSKDSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCCO1 ZINC001573637525 947816720 /nfs/dbraw/zinc/81/67/20/947816720.db2.gz HJPVYNQTXHTZLW-SWLSCSKDSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccc1 ZINC001573637668 947818939 /nfs/dbraw/zinc/81/89/39/947818939.db2.gz MRAOGTTVIPUXCT-ZDUSSCGKSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccc1 ZINC001573637668 947818943 /nfs/dbraw/zinc/81/89/43/947818943.db2.gz MRAOGTTVIPUXCT-ZDUSSCGKSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@H](C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1)n1cncn1 ZINC001573638219 947835654 /nfs/dbraw/zinc/83/56/54/947835654.db2.gz JYIFAIZQZNNJBC-GFCCVEGCSA-N -1 3 385.407 0.503 20 0 GCADHM C[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1)n1cncn1 ZINC001573638219 947835659 /nfs/dbraw/zinc/83/56/59/947835659.db2.gz JYIFAIZQZNNJBC-GFCCVEGCSA-N -1 3 385.407 0.503 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cncnc1 ZINC001573638214 947835762 /nfs/dbraw/zinc/83/57/62/947835762.db2.gz JUYIVVKFYCJTPV-NSHDSACASA-N -1 3 381.400 0.073 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cncnc1 ZINC001573638214 947835768 /nfs/dbraw/zinc/83/57/68/947835768.db2.gz JUYIVVKFYCJTPV-NSHDSACASA-N -1 3 381.400 0.073 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1)S(C)(=O)=O ZINC001573638407 947837691 /nfs/dbraw/zinc/83/76/91/947837691.db2.gz MVOLIHGJGJVCGW-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1)S(C)(=O)=O ZINC001573638407 947837695 /nfs/dbraw/zinc/83/76/95/947837695.db2.gz MVOLIHGJGJVCGW-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573638551 947840260 /nfs/dbraw/zinc/84/02/60/947840260.db2.gz PKIJWBYINFLFPD-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573638551 947840265 /nfs/dbraw/zinc/84/02/65/947840265.db2.gz PKIJWBYINFLFPD-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573376939 947846076 /nfs/dbraw/zinc/84/60/76/947846076.db2.gz FWOQIVUDEKPZLC-QWRGUYRKSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573376939 947846084 /nfs/dbraw/zinc/84/60/84/947846084.db2.gz FWOQIVUDEKPZLC-QWRGUYRKSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573376955 947846238 /nfs/dbraw/zinc/84/62/38/947846238.db2.gz GGOHFTJLLXIOER-UGFHNGPFSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573376955 947846247 /nfs/dbraw/zinc/84/62/47/947846247.db2.gz GGOHFTJLLXIOER-UGFHNGPFSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573376938 947846289 /nfs/dbraw/zinc/84/62/89/947846289.db2.gz FWOQIVUDEKPZLC-MNOVXSKESA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573376938 947846297 /nfs/dbraw/zinc/84/62/97/947846297.db2.gz FWOQIVUDEKPZLC-MNOVXSKESA-N -1 3 375.433 0.967 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573640116 947851266 /nfs/dbraw/zinc/85/12/66/947851266.db2.gz FVAKOUUWFUBQQZ-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573640116 947851276 /nfs/dbraw/zinc/85/12/76/947851276.db2.gz FVAKOUUWFUBQQZ-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCC3)c1-c1nnn[n-]1 ZINC000826298761 947864476 /nfs/dbraw/zinc/86/44/76/947864476.db2.gz GRBMCQUXBPVEPW-SNVBAGLBSA-N -1 3 381.400 0.529 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCC3)c1-c1nn[n-]n1 ZINC000826298761 947864487 /nfs/dbraw/zinc/86/44/87/947864487.db2.gz GRBMCQUXBPVEPW-SNVBAGLBSA-N -1 3 381.400 0.529 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1O ZINC001573380976 947866514 /nfs/dbraw/zinc/86/65/14/947866514.db2.gz MBQJQBDKPGHLKN-GJZGRUSLSA-N -1 3 387.444 0.385 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001573380976 947866516 /nfs/dbraw/zinc/86/65/16/947866516.db2.gz MBQJQBDKPGHLKN-GJZGRUSLSA-N -1 3 387.444 0.385 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573381264 947870597 /nfs/dbraw/zinc/87/05/97/947870597.db2.gz SEEPDVHMSGMULP-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573381264 947870601 /nfs/dbraw/zinc/87/06/01/947870601.db2.gz SEEPDVHMSGMULP-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573381206 947871481 /nfs/dbraw/zinc/87/14/81/947871481.db2.gz QNLNREQJPXBAJN-LLVKDONJSA-N -1 3 381.824 0.563 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573381206 947871488 /nfs/dbraw/zinc/87/14/88/947871488.db2.gz QNLNREQJPXBAJN-LLVKDONJSA-N -1 3 381.824 0.563 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)n1cccn1 ZINC001573646406 947875241 /nfs/dbraw/zinc/87/52/41/947875241.db2.gz LWHOVWVEFHYGBO-DVOMOZLQSA-N -1 3 379.428 0.757 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)n1cccn1 ZINC001573646406 947875243 /nfs/dbraw/zinc/87/52/43/947875243.db2.gz LWHOVWVEFHYGBO-DVOMOZLQSA-N -1 3 379.428 0.757 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C)n1cccc1 ZINC001573646490 947876107 /nfs/dbraw/zinc/87/61/07/947876107.db2.gz OVRGPDZZZWTRBS-BZPMIXESSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C)n1cccc1 ZINC001573646490 947876116 /nfs/dbraw/zinc/87/61/16/947876116.db2.gz OVRGPDZZZWTRBS-BZPMIXESSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573647236 947887612 /nfs/dbraw/zinc/88/76/12/947887612.db2.gz FRQPINWBQAOVSZ-SOCHQFKDSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573647236 947887615 /nfs/dbraw/zinc/88/76/15/947887615.db2.gz FRQPINWBQAOVSZ-SOCHQFKDSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCCC1 ZINC001573647674 947900859 /nfs/dbraw/zinc/90/08/59/947900859.db2.gz RTXCLYFTMMASEQ-COLVAYQJSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCCC1 ZINC001573647674 947900865 /nfs/dbraw/zinc/90/08/65/947900865.db2.gz RTXCLYFTMMASEQ-COLVAYQJSA-N -1 3 387.444 0.323 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573387511 947910127 /nfs/dbraw/zinc/91/01/27/947910127.db2.gz BLPMGWRDKFBSEL-GFCCVEGCSA-N -1 3 392.851 0.431 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573387511 947910132 /nfs/dbraw/zinc/91/01/32/947910132.db2.gz BLPMGWRDKFBSEL-GFCCVEGCSA-N -1 3 392.851 0.431 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C[C@@H]1C ZINC001573387821 947913292 /nfs/dbraw/zinc/91/32/92/947913292.db2.gz DTXUAXFEDIWBTM-GZMMTYOYSA-N -1 3 378.462 0.511 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001573387826 947913767 /nfs/dbraw/zinc/91/37/67/947913767.db2.gz DTXUAXFEDIWBTM-KCJUWKMLSA-N -1 3 378.462 0.511 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573650961 947914952 /nfs/dbraw/zinc/91/49/52/947914952.db2.gz GQHDTPYMESAOGP-BXSSEVMYSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573650961 947914967 /nfs/dbraw/zinc/91/49/67/947914967.db2.gz GQHDTPYMESAOGP-BXSSEVMYSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001573651470 947919440 /nfs/dbraw/zinc/91/94/40/947919440.db2.gz MEPMAQBHRXYVFQ-WQAKAFBOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001573651470 947919447 /nfs/dbraw/zinc/91/94/47/947919447.db2.gz MEPMAQBHRXYVFQ-WQAKAFBOSA-N -1 3 375.433 0.179 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573388704 947920880 /nfs/dbraw/zinc/92/08/80/947920880.db2.gz NWRUWEHYNNIPHO-SKDRFNHKSA-N -1 3 392.489 0.616 20 0 GCADHM CC(=O)N(C)CC(=O)N(CCN(C)c1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573388958 947922380 /nfs/dbraw/zinc/92/23/80/947922380.db2.gz OOOJBVVTTVXZQC-UHFFFAOYSA-N -1 3 392.439 0.552 20 0 GCADHM CC(=O)N(C)CC(=O)N(CCN(C)c1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573388958 947922382 /nfs/dbraw/zinc/92/23/82/947922382.db2.gz OOOJBVVTTVXZQC-UHFFFAOYSA-N -1 3 392.439 0.552 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CC(Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573389887 947926668 /nfs/dbraw/zinc/92/66/68/947926668.db2.gz VAWFTNHAFWNDDN-UHFFFAOYSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CC(Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573389887 947926672 /nfs/dbraw/zinc/92/66/72/947926672.db2.gz VAWFTNHAFWNDDN-UHFFFAOYSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573390128 947928157 /nfs/dbraw/zinc/92/81/57/947928157.db2.gz WMMIJNNKMUNLCP-UHFFFAOYSA-N -1 3 377.424 0.374 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573390580 947929208 /nfs/dbraw/zinc/92/92/08/947929208.db2.gz YFFUMRICJYKBMM-VIFPVBQESA-N -1 3 380.840 0.652 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573390580 947929213 /nfs/dbraw/zinc/92/92/13/947929213.db2.gz YFFUMRICJYKBMM-VIFPVBQESA-N -1 3 380.840 0.652 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1C ZINC001573390624 947929782 /nfs/dbraw/zinc/92/97/82/947929782.db2.gz ZASVATXXIGGVSM-SKDRFNHKSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1C ZINC001573390624 947929787 /nfs/dbraw/zinc/92/97/87/947929787.db2.gz ZASVATXXIGGVSM-SKDRFNHKSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573390701 947931402 /nfs/dbraw/zinc/93/14/02/947931402.db2.gz ALHHQDRZBMOXBW-GFCCVEGCSA-N -1 3 375.408 0.887 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573390701 947931406 /nfs/dbraw/zinc/93/14/06/947931406.db2.gz ALHHQDRZBMOXBW-GFCCVEGCSA-N -1 3 375.408 0.887 20 0 GCADHM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)n1cncn1 ZINC001573652213 947931587 /nfs/dbraw/zinc/93/15/87/947931587.db2.gz BJMQNLVGJXMVLP-PIGZYNQJSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)n1cncn1 ZINC001573652213 947931593 /nfs/dbraw/zinc/93/15/93/947931593.db2.gz BJMQNLVGJXMVLP-PIGZYNQJSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C(C)(C)C ZINC001573652375 947934994 /nfs/dbraw/zinc/93/49/94/947934994.db2.gz YIZMQXPDWDUSFA-WQAKAFBOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C(C)(C)C ZINC001573652375 947935002 /nfs/dbraw/zinc/93/50/02/947935002.db2.gz YIZMQXPDWDUSFA-WQAKAFBOSA-N -1 3 375.433 0.179 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573391751 947936255 /nfs/dbraw/zinc/93/62/55/947936255.db2.gz JDGSTCXYUXIRLS-LBPRGKRZSA-N -1 3 392.489 0.537 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573391761 947936868 /nfs/dbraw/zinc/93/68/68/947936868.db2.gz JLOFYNQFLJTGCZ-NOZJJQNGSA-N -1 3 392.851 0.652 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573391761 947936870 /nfs/dbraw/zinc/93/68/70/947936870.db2.gz JLOFYNQFLJTGCZ-NOZJJQNGSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573652383 947937211 /nfs/dbraw/zinc/93/72/11/947937211.db2.gz YOGJUSVWNOORDZ-WXHSDQCUSA-N -1 3 381.400 0.078 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573652383 947937218 /nfs/dbraw/zinc/93/72/18/947937218.db2.gz YOGJUSVWNOORDZ-WXHSDQCUSA-N -1 3 381.400 0.078 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573391805 947937873 /nfs/dbraw/zinc/93/78/73/947937873.db2.gz LEKKXELHOCSODQ-ZDUSSCGKSA-N -1 3 389.435 0.911 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573391805 947937879 /nfs/dbraw/zinc/93/78/79/947937879.db2.gz LEKKXELHOCSODQ-ZDUSSCGKSA-N -1 3 389.435 0.911 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccs1 ZINC001573652451 947937895 /nfs/dbraw/zinc/93/78/95/947937895.db2.gz CHBNAOSVTIESPQ-UWVGGRQHSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccs1 ZINC001573652451 947937902 /nfs/dbraw/zinc/93/79/02/947937902.db2.gz CHBNAOSVTIESPQ-UWVGGRQHSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccs1 ZINC001573652452 947938259 /nfs/dbraw/zinc/93/82/59/947938259.db2.gz CHBNAOSVTIESPQ-VHSXEESVSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccs1 ZINC001573652452 947938264 /nfs/dbraw/zinc/93/82/64/947938264.db2.gz CHBNAOSVTIESPQ-VHSXEESVSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573652520 947939900 /nfs/dbraw/zinc/93/99/00/947939900.db2.gz DAYDULJSABZLQL-LLVKDONJSA-N -1 3 376.465 0.502 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001573392130 947941777 /nfs/dbraw/zinc/94/17/77/947941777.db2.gz TUTJWPQEXHCTMG-SWLSCSKDSA-N -1 3 387.419 0.521 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001573392130 947941783 /nfs/dbraw/zinc/94/17/83/947941783.db2.gz TUTJWPQEXHCTMG-SWLSCSKDSA-N -1 3 387.419 0.521 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573392222 947943935 /nfs/dbraw/zinc/94/39/35/947943935.db2.gz XGWNBTJZMRTVAU-NSHDSACASA-N -1 3 378.462 0.513 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573652739 947945947 /nfs/dbraw/zinc/94/59/47/947945947.db2.gz HBFYTWKOCNAKMD-LBPRGKRZSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573652739 947945953 /nfs/dbraw/zinc/94/59/53/947945953.db2.gz HBFYTWKOCNAKMD-LBPRGKRZSA-N -1 3 388.476 0.646 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573392288 947947134 /nfs/dbraw/zinc/94/71/34/947947134.db2.gz YVOJGMVTXLGNRX-UHFFFAOYSA-N -1 3 375.408 0.128 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573392288 947947146 /nfs/dbraw/zinc/94/71/46/947947146.db2.gz YVOJGMVTXLGNRX-UHFFFAOYSA-N -1 3 375.408 0.128 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573392639 947948288 /nfs/dbraw/zinc/94/82/88/947948288.db2.gz CYMVURZYECWLEO-CABCVRRESA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573392639 947948293 /nfs/dbraw/zinc/94/82/93/947948293.db2.gz CYMVURZYECWLEO-CABCVRRESA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573392484 947948438 /nfs/dbraw/zinc/94/84/38/947948438.db2.gz BLNFQVWFXAZCLB-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573392484 947948441 /nfs/dbraw/zinc/94/84/41/947948441.db2.gz BLNFQVWFXAZCLB-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573652882 947948521 /nfs/dbraw/zinc/94/85/21/947948521.db2.gz HYJYAPHPLBNFKS-SRVKXCTJSA-N -1 3 386.460 0.397 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573652882 947948524 /nfs/dbraw/zinc/94/85/24/947948524.db2.gz HYJYAPHPLBNFKS-SRVKXCTJSA-N -1 3 386.460 0.397 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573652889 947949490 /nfs/dbraw/zinc/94/94/90/947949490.db2.gz HZGXDDKLWHFBIW-DGCLKSJQSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573653212 947953226 /nfs/dbraw/zinc/95/32/26/947953226.db2.gz JTMSMXLKYASLHV-LLVKDONJSA-N -1 3 376.465 0.502 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573392907 947953320 /nfs/dbraw/zinc/95/33/20/947953320.db2.gz ICSJYLQBQHONLM-LBPRGKRZSA-N -1 3 390.423 0.164 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573392907 947953322 /nfs/dbraw/zinc/95/33/22/947953322.db2.gz ICSJYLQBQHONLM-LBPRGKRZSA-N -1 3 390.423 0.164 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573393177 947954541 /nfs/dbraw/zinc/95/45/41/947954541.db2.gz KHGUSVVIXKLPRX-WFASDCNBSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573393177 947954546 /nfs/dbraw/zinc/95/45/46/947954546.db2.gz KHGUSVVIXKLPRX-WFASDCNBSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573393420 947957392 /nfs/dbraw/zinc/95/73/92/947957392.db2.gz MEQKQGPEUMBMLO-PWSUYJOCSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573393420 947957399 /nfs/dbraw/zinc/95/73/99/947957399.db2.gz MEQKQGPEUMBMLO-PWSUYJOCSA-N -1 3 390.423 0.528 20 0 GCADHM Cc1nc2n(n1)CCN([C@H]1CCCN(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000826329337 947958818 /nfs/dbraw/zinc/95/88/18/947958818.db2.gz ZBFDHRJYUAHIGO-HNNXBMFYSA-N -1 3 379.428 0.778 20 0 GCADHM Cc1nc2n(n1)CCN([C@H]1CCCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000826329337 947958829 /nfs/dbraw/zinc/95/88/29/947958829.db2.gz ZBFDHRJYUAHIGO-HNNXBMFYSA-N -1 3 379.428 0.778 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1C ZINC001573394046 947961869 /nfs/dbraw/zinc/96/18/69/947961869.db2.gz SBRWATRMUNQXSJ-BXUZGUMPSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1C ZINC001573394046 947961876 /nfs/dbraw/zinc/96/18/76/947961876.db2.gz SBRWATRMUNQXSJ-BXUZGUMPSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573394420 947964773 /nfs/dbraw/zinc/96/47/73/947964773.db2.gz TWEANQFUTCUZDH-SMDDNHRTSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573394420 947964778 /nfs/dbraw/zinc/96/47/78/947964778.db2.gz TWEANQFUTCUZDH-SMDDNHRTSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1snc(C)c1-c1nnn[n-]1 ZINC001573395068 947967769 /nfs/dbraw/zinc/96/77/69/947967769.db2.gz WQURKGMUIMJQSQ-TXEJJXNPSA-N -1 3 390.473 0.290 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573395265 947968362 /nfs/dbraw/zinc/96/83/62/947968362.db2.gz YCPHOZNNMJCWMJ-CQSZACIVSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573395265 947968370 /nfs/dbraw/zinc/96/83/70/947968370.db2.gz YCPHOZNNMJCWMJ-CQSZACIVSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@H]1C ZINC001573395320 947971077 /nfs/dbraw/zinc/97/10/77/947971077.db2.gz YXNQEBHDMSQFDD-NOZJJQNGSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)[C@H]1C ZINC001573395320 947971081 /nfs/dbraw/zinc/97/10/81/947971081.db2.gz YXNQEBHDMSQFDD-NOZJJQNGSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573397891 947976439 /nfs/dbraw/zinc/97/64/39/947976439.db2.gz FVRGASXLKIDIDY-CYBMUJFWSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573397891 947976447 /nfs/dbraw/zinc/97/64/47/947976447.db2.gz FVRGASXLKIDIDY-CYBMUJFWSA-N -1 3 392.851 0.700 20 0 GCADHM Cc1noc([C@H]2COCCN2S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000826339575 947977689 /nfs/dbraw/zinc/97/76/89/947977689.db2.gz KEEKAFLPOBJJRS-GFCCVEGCSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1noc([C@H]2COCCN2S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000826339575 947977694 /nfs/dbraw/zinc/97/76/94/947977694.db2.gz KEEKAFLPOBJJRS-GFCCVEGCSA-N -1 3 391.413 0.629 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573655449 947978111 /nfs/dbraw/zinc/97/81/11/947978111.db2.gz XMOWKXVVFIGTTB-AAEUAGOBSA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573398182 947978495 /nfs/dbraw/zinc/97/84/95/947978495.db2.gz ICKCGFJWHCYBIB-UHFFFAOYSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573398182 947978498 /nfs/dbraw/zinc/97/84/98/947978498.db2.gz ICKCGFJWHCYBIB-UHFFFAOYSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573655750 947979521 /nfs/dbraw/zinc/97/95/21/947979521.db2.gz YSEQKOZSPGLQOO-GWCFXTLKSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573655750 947979524 /nfs/dbraw/zinc/97/95/24/947979524.db2.gz YSEQKOZSPGLQOO-GWCFXTLKSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC12CCN(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573398397 947982223 /nfs/dbraw/zinc/98/22/23/947982223.db2.gz KZBCODWEJPZHIX-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC12CCN(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573398397 947982236 /nfs/dbraw/zinc/98/22/36/947982236.db2.gz KZBCODWEJPZHIX-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@H]1N(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573398544 947983004 /nfs/dbraw/zinc/98/30/04/947983004.db2.gz MLTOFNYAEXYVDN-RDTXWAMCSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@H]1N(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573398544 947983010 /nfs/dbraw/zinc/98/30/10/947983010.db2.gz MLTOFNYAEXYVDN-RDTXWAMCSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573655991 947984123 /nfs/dbraw/zinc/98/41/23/947984123.db2.gz AZZIEAJYMGGSTN-SGTLLEGYSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573655991 947984130 /nfs/dbraw/zinc/98/41/30/947984130.db2.gz AZZIEAJYMGGSTN-SGTLLEGYSA-N -1 3 381.444 0.884 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573399221 947990317 /nfs/dbraw/zinc/99/03/17/947990317.db2.gz TYRKBRPYBDNBGZ-NSHDSACASA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573399328 947992393 /nfs/dbraw/zinc/99/23/93/947992393.db2.gz VMHYQJUBLACKED-CRAIPNDOSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573399328 947992398 /nfs/dbraw/zinc/99/23/98/947992398.db2.gz VMHYQJUBLACKED-CRAIPNDOSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573399648 947994481 /nfs/dbraw/zinc/99/44/81/947994481.db2.gz YCLBJQUXPJGJSM-ZIAGYGMSSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573399648 947994486 /nfs/dbraw/zinc/99/44/86/947994486.db2.gz YCLBJQUXPJGJSM-ZIAGYGMSSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001573399636 947994583 /nfs/dbraw/zinc/99/45/83/947994583.db2.gz XZPOXNPXPPICPV-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001573399636 947994589 /nfs/dbraw/zinc/99/45/89/947994589.db2.gz XZPOXNPXPPICPV-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1(C)C ZINC001573401304 947998253 /nfs/dbraw/zinc/99/82/53/947998253.db2.gz AYIFITFQTNLHAD-CQSZACIVSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1(C)C ZINC001573401304 947998258 /nfs/dbraw/zinc/99/82/58/947998258.db2.gz AYIFITFQTNLHAD-CQSZACIVSA-N -1 3 386.460 0.379 20 0 GCADHM C[C@H](C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573657138 947998418 /nfs/dbraw/zinc/99/84/18/947998418.db2.gz LELFLERTSDGZME-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573657138 947998420 /nfs/dbraw/zinc/99/84/20/947998420.db2.gz LELFLERTSDGZME-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573401818 948000693 /nfs/dbraw/zinc/00/06/93/948000693.db2.gz DAOSNINGMORWEN-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573401818 948000703 /nfs/dbraw/zinc/00/07/03/948000703.db2.gz DAOSNINGMORWEN-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573657686 948002478 /nfs/dbraw/zinc/00/24/78/948002478.db2.gz OOINVXQPGKWSNY-APPDUMDISA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573657686 948002487 /nfs/dbraw/zinc/00/24/87/948002487.db2.gz OOINVXQPGKWSNY-APPDUMDISA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573657657 948003088 /nfs/dbraw/zinc/00/30/88/948003088.db2.gz OGBZQDFGHWJXBA-DIFFPNOSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573657657 948003094 /nfs/dbraw/zinc/00/30/94/948003094.db2.gz OGBZQDFGHWJXBA-DIFFPNOSSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573402270 948003354 /nfs/dbraw/zinc/00/33/54/948003354.db2.gz FMSUSWFWMZKSHZ-MFKMUULPSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573402270 948003359 /nfs/dbraw/zinc/00/33/59/948003359.db2.gz FMSUSWFWMZKSHZ-MFKMUULPSA-N -1 3 390.423 0.353 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573657844 948004324 /nfs/dbraw/zinc/00/43/24/948004324.db2.gz PHIPDBVHTSGOJT-PIGZYNQJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573657844 948004329 /nfs/dbraw/zinc/00/43/29/948004329.db2.gz PHIPDBVHTSGOJT-PIGZYNQJSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573402744 948004902 /nfs/dbraw/zinc/00/49/02/948004902.db2.gz HOXBLGJHLBOCKL-UHFFFAOYSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573402744 948004911 /nfs/dbraw/zinc/00/49/11/948004911.db2.gz HOXBLGJHLBOCKL-UHFFFAOYSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573403446 948011272 /nfs/dbraw/zinc/01/12/72/948011272.db2.gz MROYPMZIXAORLX-GFCCVEGCSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573403446 948011282 /nfs/dbraw/zinc/01/12/82/948011282.db2.gz MROYPMZIXAORLX-GFCCVEGCSA-N -1 3 375.408 0.569 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573658665 948011998 /nfs/dbraw/zinc/01/19/98/948011998.db2.gz STBONJAIHWNHMN-XIKOKIGWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573658665 948012007 /nfs/dbraw/zinc/01/20/07/948012007.db2.gz STBONJAIHWNHMN-XIKOKIGWSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573403810 948012646 /nfs/dbraw/zinc/01/26/46/948012646.db2.gz OOICVSSOBXFKIV-VIFPVBQESA-N -1 3 380.840 0.558 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573403810 948012657 /nfs/dbraw/zinc/01/26/57/948012657.db2.gz OOICVSSOBXFKIV-VIFPVBQESA-N -1 3 380.840 0.558 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573403735 948014075 /nfs/dbraw/zinc/01/40/75/948014075.db2.gz OAENSHNACAEMNP-KGLIPLIRSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573403735 948014082 /nfs/dbraw/zinc/01/40/82/948014082.db2.gz OAENSHNACAEMNP-KGLIPLIRSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CCOCC1 ZINC001573659557 948016511 /nfs/dbraw/zinc/01/65/11/948016511.db2.gz WPIFVVPJNBYPAI-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CCOCC1 ZINC001573659557 948016520 /nfs/dbraw/zinc/01/65/20/948016520.db2.gz WPIFVVPJNBYPAI-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573404168 948017683 /nfs/dbraw/zinc/01/76/83/948017683.db2.gz QXYSRUSCQQFZNR-LBPRGKRZSA-N -1 3 377.474 0.487 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573660099 948018548 /nfs/dbraw/zinc/01/85/48/948018548.db2.gz YSCZSZLGFCJJHD-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573660099 948018557 /nfs/dbraw/zinc/01/85/57/948018557.db2.gz YSCZSZLGFCJJHD-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](Nc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573404322 948022237 /nfs/dbraw/zinc/02/22/37/948022237.db2.gz RXBLXJZHCKMBTM-NSHDSACASA-N -1 3 378.462 0.417 20 0 GCADHM C[C@@H](C(=O)NC1(CNc2ncccc2-c2nnn[n-]2)CCCC1)n1cncn1 ZINC001573662355 948024891 /nfs/dbraw/zinc/02/48/91/948024891.db2.gz BVZBLNTUBJGZFG-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@@H](C(=O)NC1(CNc2ncccc2-c2nn[n-]n2)CCCC1)n1cncn1 ZINC001573662355 948024894 /nfs/dbraw/zinc/02/48/94/948024894.db2.gz BVZBLNTUBJGZFG-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@H](C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573663018 948029187 /nfs/dbraw/zinc/02/91/87/948029187.db2.gz IJCZVZQVQZLSEO-LMWSTFAQSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573663018 948029192 /nfs/dbraw/zinc/02/91/92/948029192.db2.gz IJCZVZQVQZLSEO-LMWSTFAQSA-N -1 3 382.428 0.977 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573404809 948032377 /nfs/dbraw/zinc/03/23/77/948032377.db2.gz WPONLSHCOXWHND-KGLIPLIRSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573404809 948032386 /nfs/dbraw/zinc/03/23/86/948032386.db2.gz WPONLSHCOXWHND-KGLIPLIRSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573404850 948032543 /nfs/dbraw/zinc/03/25/43/948032543.db2.gz WYFGHVBAMHQZCW-ZDUSSCGKSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573404850 948032552 /nfs/dbraw/zinc/03/25/52/948032552.db2.gz WYFGHVBAMHQZCW-ZDUSSCGKSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573404860 948033460 /nfs/dbraw/zinc/03/34/60/948033460.db2.gz XCLGXLUDOIWLNT-AAEUAGOBSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573404860 948033464 /nfs/dbraw/zinc/03/34/64/948033464.db2.gz XCLGXLUDOIWLNT-AAEUAGOBSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573404921 948036188 /nfs/dbraw/zinc/03/61/88/948036188.db2.gz KOPGKRBIUKRBGL-LBPRGKRZSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573404921 948036199 /nfs/dbraw/zinc/03/61/99/948036199.db2.gz KOPGKRBIUKRBGL-LBPRGKRZSA-N -1 3 390.423 0.212 20 0 GCADHM C[C@H](C(=O)NC1CCCCC1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573663886 948044234 /nfs/dbraw/zinc/04/42/34/948044234.db2.gz BEURSJWNGUTRFE-LLVKDONJSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCCC1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573663886 948044242 /nfs/dbraw/zinc/04/42/42/948044242.db2.gz BEURSJWNGUTRFE-LLVKDONJSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573664221 948050411 /nfs/dbraw/zinc/05/04/11/948050411.db2.gz CYZGOGORTRHKEI-VXGBXAGGSA-N -1 3 387.473 0.862 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573664190 948051614 /nfs/dbraw/zinc/05/16/14/948051614.db2.gz CNITXGJZBHHLFW-YPMHNXCESA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573664190 948051620 /nfs/dbraw/zinc/05/16/20/948051620.db2.gz CNITXGJZBHHLFW-YPMHNXCESA-N -1 3 385.407 0.944 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573406529 948053052 /nfs/dbraw/zinc/05/30/52/948053052.db2.gz JFRHOXKNCZZRBB-HDJSIYSDSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573406529 948053061 /nfs/dbraw/zinc/05/30/61/948053061.db2.gz JFRHOXKNCZZRBB-HDJSIYSDSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573406544 948053737 /nfs/dbraw/zinc/05/37/37/948053737.db2.gz KEFLYNHXSJIBBY-YUELXQCFSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573406544 948053745 /nfs/dbraw/zinc/05/37/45/948053745.db2.gz KEFLYNHXSJIBBY-YUELXQCFSA-N -1 3 384.444 0.274 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573664407 948053916 /nfs/dbraw/zinc/05/39/16/948053916.db2.gz DEULGWLSUCQRNI-JSGCOSHPSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573664407 948053922 /nfs/dbraw/zinc/05/39/22/948053922.db2.gz DEULGWLSUCQRNI-JSGCOSHPSA-N -1 3 381.444 0.884 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573406738 948055434 /nfs/dbraw/zinc/05/54/34/948055434.db2.gz PSYXKSDFPKUPJJ-BXUZGUMPSA-N -1 3 386.460 0.237 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573406738 948055443 /nfs/dbraw/zinc/05/54/43/948055443.db2.gz PSYXKSDFPKUPJJ-BXUZGUMPSA-N -1 3 386.460 0.237 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573664512 948056233 /nfs/dbraw/zinc/05/62/33/948056233.db2.gz FFHUXWPQLSXRDB-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573664512 948056242 /nfs/dbraw/zinc/05/62/42/948056242.db2.gz FFHUXWPQLSXRDB-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC1(CO)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)C1CC1 ZINC001573664607 948057515 /nfs/dbraw/zinc/05/75/15/948057515.db2.gz VSUZFTOUFOYKMZ-LLVKDONJSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@@H](C(=O)NC1(CO)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)C1CC1 ZINC001573664607 948057525 /nfs/dbraw/zinc/05/75/25/948057525.db2.gz VSUZFTOUFOYKMZ-LLVKDONJSA-N -1 3 389.435 0.894 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573406754 948058832 /nfs/dbraw/zinc/05/88/32/948058832.db2.gz QVQQRRGXCSFQHT-ZWNOBZJWSA-N -1 3 390.423 0.068 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573406754 948058843 /nfs/dbraw/zinc/05/88/43/948058843.db2.gz QVQQRRGXCSFQHT-ZWNOBZJWSA-N -1 3 390.423 0.068 20 0 GCADHM Cc1onc(CC(=O)NCc2ccc(CN3CCOCC3)cc2)c1-c1nnn[n-]1 ZINC000826347764 948060536 /nfs/dbraw/zinc/06/05/36/948060536.db2.gz DZRCPNKKCXLFAI-UHFFFAOYSA-N -1 3 397.439 0.854 20 0 GCADHM Cc1onc(CC(=O)NCc2ccc(CN3CCOCC3)cc2)c1-c1nn[n-]n1 ZINC000826347764 948060545 /nfs/dbraw/zinc/06/05/45/948060545.db2.gz DZRCPNKKCXLFAI-UHFFFAOYSA-N -1 3 397.439 0.854 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573406969 948060928 /nfs/dbraw/zinc/06/09/28/948060928.db2.gz YPXJCQJVQLQCDD-UONOGXRCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573406969 948060937 /nfs/dbraw/zinc/06/09/37/948060937.db2.gz YPXJCQJVQLQCDD-UONOGXRCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573408661 948067154 /nfs/dbraw/zinc/06/71/54/948067154.db2.gz KIEQALFNWAQKMT-LLVKDONJSA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573408661 948067162 /nfs/dbraw/zinc/06/71/62/948067162.db2.gz KIEQALFNWAQKMT-LLVKDONJSA-N -1 3 390.448 0.078 20 0 GCADHM Cc1onc(CC(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1-c1nnn[n-]1 ZINC000826348221 948068042 /nfs/dbraw/zinc/06/80/42/948068042.db2.gz BBVNTRSFCNVKLP-UHFFFAOYSA-N -1 3 383.416 0.491 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccn1 ZINC001573665121 948068847 /nfs/dbraw/zinc/06/88/47/948068847.db2.gz JBAOBZJACBXMSX-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccn1 ZINC001573665121 948068857 /nfs/dbraw/zinc/06/88/57/948068857.db2.gz JBAOBZJACBXMSX-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nnn[n-]1 ZINC001573409963 948076256 /nfs/dbraw/zinc/07/62/56/948076256.db2.gz YQUOPIJFDWNKOY-WOPDTQHZSA-N -1 3 390.473 0.336 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573413347 948080408 /nfs/dbraw/zinc/08/04/08/948080408.db2.gz CCCZEUILZBEWIT-GFCCVEGCSA-N -1 3 390.473 0.513 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573666216 948081437 /nfs/dbraw/zinc/08/14/37/948081437.db2.gz QYJCUQGCMXYBRM-NSHDSACASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573666216 948081446 /nfs/dbraw/zinc/08/14/46/948081446.db2.gz QYJCUQGCMXYBRM-NSHDSACASA-N -1 3 386.460 0.304 20 0 GCADHM Cc1onc(CC(=O)Nc2ccccc2NS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826348889 948084315 /nfs/dbraw/zinc/08/43/15/948084315.db2.gz KCCIXTWXBCAEJJ-UHFFFAOYSA-N -1 3 377.386 0.716 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573666391 948084765 /nfs/dbraw/zinc/08/47/65/948084765.db2.gz SFNALYAHVCLZHC-LBPRGKRZSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573666391 948084776 /nfs/dbraw/zinc/08/47/76/948084776.db2.gz SFNALYAHVCLZHC-LBPRGKRZSA-N -1 3 388.476 0.646 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)c3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573413825 948085685 /nfs/dbraw/zinc/08/56/85/948085685.db2.gz HCMBNWGUIIONMC-AWEZNQCLSA-N -1 3 384.444 0.086 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)c3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573413825 948085692 /nfs/dbraw/zinc/08/56/92/948085692.db2.gz HCMBNWGUIIONMC-AWEZNQCLSA-N -1 3 384.444 0.086 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573413834 948085885 /nfs/dbraw/zinc/08/58/85/948085885.db2.gz HEHBOENKVGKDMG-UHFFFAOYSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573413834 948085890 /nfs/dbraw/zinc/08/58/90/948085890.db2.gz HEHBOENKVGKDMG-UHFFFAOYSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nnn[n-]3)[C@H]2C)C1 ZINC001573413789 948086353 /nfs/dbraw/zinc/08/63/53/948086353.db2.gz GDZVFNZMLAXVBT-BXKDBHETSA-N -1 3 390.473 0.511 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CCNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573414248 948093165 /nfs/dbraw/zinc/09/31/65/948093165.db2.gz LHJTXCRLWZZGDB-ZDUSSCGKSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CCNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573414248 948093174 /nfs/dbraw/zinc/09/31/74/948093174.db2.gz LHJTXCRLWZZGDB-ZDUSSCGKSA-N -1 3 384.444 0.391 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573666881 948093618 /nfs/dbraw/zinc/09/36/18/948093618.db2.gz XGJCNFAEIUNMHN-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573666881 948093629 /nfs/dbraw/zinc/09/36/29/948093629.db2.gz XGJCNFAEIUNMHN-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](N(C)c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573414413 948093614 /nfs/dbraw/zinc/09/36/14/948093614.db2.gz LTTJIPIKJNLTNW-CYBMUJFWSA-N -1 3 387.419 0.521 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](N(C)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573414413 948093619 /nfs/dbraw/zinc/09/36/19/948093619.db2.gz LTTJIPIKJNLTNW-CYBMUJFWSA-N -1 3 387.419 0.521 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573414311 948093724 /nfs/dbraw/zinc/09/37/24/948093724.db2.gz KGNOLVWUGCQDOG-SECBINFHSA-N -1 3 392.851 0.652 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573414311 948093730 /nfs/dbraw/zinc/09/37/30/948093730.db2.gz KGNOLVWUGCQDOG-SECBINFHSA-N -1 3 392.851 0.652 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573414467 948094282 /nfs/dbraw/zinc/09/42/82/948094282.db2.gz MRCMEWLFHNFKRW-CQSZACIVSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573414467 948094289 /nfs/dbraw/zinc/09/42/89/948094289.db2.gz MRCMEWLFHNFKRW-CQSZACIVSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573414541 948095939 /nfs/dbraw/zinc/09/59/39/948095939.db2.gz NYOMEZUQLLAAFX-NSHDSACASA-N -1 3 388.407 0.140 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573414541 948095948 /nfs/dbraw/zinc/09/59/48/948095948.db2.gz NYOMEZUQLLAAFX-NSHDSACASA-N -1 3 388.407 0.140 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C)C1 ZINC001573414843 948098745 /nfs/dbraw/zinc/09/87/45/948098745.db2.gz QRKZSZOGGNYSIS-SMDDNHRTSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@@H]2C)C1 ZINC001573414843 948098750 /nfs/dbraw/zinc/09/87/50/948098750.db2.gz QRKZSZOGGNYSIS-SMDDNHRTSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](CNc3ncccc3-c3nnn[n-]3)[C@H](C)C2)C1 ZINC001573414762 948099424 /nfs/dbraw/zinc/09/94/24/948099424.db2.gz OPJDKPBCHWAETB-DGCLKSJQSA-N -1 3 384.444 0.246 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](CNc3ncccc3-c3nn[n-]n3)[C@H](C)C2)C1 ZINC001573414762 948099433 /nfs/dbraw/zinc/09/94/33/948099433.db2.gz OPJDKPBCHWAETB-DGCLKSJQSA-N -1 3 384.444 0.246 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)C1 ZINC001573414837 948099868 /nfs/dbraw/zinc/09/98/68/948099868.db2.gz QRKZSZOGGNYSIS-BXUZGUMPSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)C1 ZINC001573414837 948099880 /nfs/dbraw/zinc/09/98/80/948099880.db2.gz QRKZSZOGGNYSIS-BXUZGUMPSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001573667474 948100141 /nfs/dbraw/zinc/10/01/41/948100141.db2.gz ZZAJYZPROFUSHO-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001573667474 948100149 /nfs/dbraw/zinc/10/01/49/948100149.db2.gz ZZAJYZPROFUSHO-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CNc3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573414900 948101743 /nfs/dbraw/zinc/10/17/43/948101743.db2.gz RMSKXBMENMLHRX-ZDUSSCGKSA-N -1 3 384.444 0.309 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CNc3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573414900 948101751 /nfs/dbraw/zinc/10/17/51/948101751.db2.gz RMSKXBMENMLHRX-ZDUSSCGKSA-N -1 3 384.444 0.309 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573415125 948102388 /nfs/dbraw/zinc/10/23/88/948102388.db2.gz 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C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573672120 948107885 /nfs/dbraw/zinc/10/78/85/948107885.db2.gz GTGSVSOWKPJFNW-ZJUUUORDSA-N -1 3 384.487 0.052 20 0 GCADHM CN1C(=S)N=NC1Cc1csc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC000826356116 948108905 /nfs/dbraw/zinc/10/89/05/948108905.db2.gz AQPBEBUFSOAGPC-UHFFFAOYSA-N -1 3 388.442 0.912 20 0 GCADHM CN1C(=S)N=NC1Cc1csc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC000826356116 948108908 /nfs/dbraw/zinc/10/89/08/948108908.db2.gz AQPBEBUFSOAGPC-UHFFFAOYSA-N -1 3 388.442 0.912 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573415485 948109239 /nfs/dbraw/zinc/10/92/39/948109239.db2.gz VDJISESPTCOHOX-UHFFFAOYSA-N -1 3 386.460 0.333 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573415485 948109246 /nfs/dbraw/zinc/10/92/46/948109246.db2.gz VDJISESPTCOHOX-UHFFFAOYSA-N -1 3 386.460 0.333 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CC(Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573415583 948112405 /nfs/dbraw/zinc/11/24/05/948112405.db2.gz YOJXKUTVNFZZKG-UHFFFAOYSA-N -1 3 390.473 0.511 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573673385 948113286 /nfs/dbraw/zinc/11/32/86/948113286.db2.gz KVJISDCBZQKZGN-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573673385 948113292 /nfs/dbraw/zinc/11/32/92/948113292.db2.gz KVJISDCBZQKZGN-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573418137 948113649 /nfs/dbraw/zinc/11/36/49/948113649.db2.gz CVDISZVQIZDYHF-OAHLLOKOSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573418137 948113656 /nfs/dbraw/zinc/11/36/56/948113656.db2.gz CVDISZVQIZDYHF-OAHLLOKOSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573673387 948113874 /nfs/dbraw/zinc/11/38/74/948113874.db2.gz 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GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)[C@H](C)C2)C1 ZINC001573418242 948116511 /nfs/dbraw/zinc/11/65/11/948116511.db2.gz FOHHPYVFSAZKSE-DGCLKSJQSA-N -1 3 384.444 0.246 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)[C@H](C)C2)C1 ZINC001573418242 948116519 /nfs/dbraw/zinc/11/65/19/948116519.db2.gz FOHHPYVFSAZKSE-DGCLKSJQSA-N -1 3 384.444 0.246 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](CNc2ncccc2-c2nnn[n-]2)C(C)(C)C)C1 ZINC001573418584 948118235 /nfs/dbraw/zinc/11/82/35/948118235.db2.gz HBRNAHPXPJXPQA-CQSZACIVSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](CNc2ncccc2-c2nn[n-]n2)C(C)(C)C)C1 ZINC001573418584 948118239 /nfs/dbraw/zinc/11/82/39/948118239.db2.gz HBRNAHPXPJXPQA-CQSZACIVSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001573419353 948123196 /nfs/dbraw/zinc/12/31/96/948123196.db2.gz LGWAPVYWIWDBEZ-CQSZACIVSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001573419353 948123204 /nfs/dbraw/zinc/12/32/04/948123204.db2.gz LGWAPVYWIWDBEZ-CQSZACIVSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)CCCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573419675 948124315 /nfs/dbraw/zinc/12/43/15/948124315.db2.gz PAWLKZDNHDWYAG-NSHDSACASA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)CCCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573419675 948124324 /nfs/dbraw/zinc/12/43/24/948124324.db2.gz PAWLKZDNHDWYAG-NSHDSACASA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573419665 948125070 /nfs/dbraw/zinc/12/50/70/948125070.db2.gz OUNPPWUKLFGFIJ-XHDPSFHLSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573419665 948125077 /nfs/dbraw/zinc/12/50/77/948125077.db2.gz OUNPPWUKLFGFIJ-XHDPSFHLSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573419700 948126559 /nfs/dbraw/zinc/12/65/59/948126559.db2.gz PVFXUQNJIVIHEA-JSGCOSHPSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573419700 948126565 /nfs/dbraw/zinc/12/65/65/948126565.db2.gz PVFXUQNJIVIHEA-JSGCOSHPSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573419716 948127294 /nfs/dbraw/zinc/12/72/94/948127294.db2.gz QBLYUGFLBYHFJN-NSHDSACASA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573419716 948127300 /nfs/dbraw/zinc/12/73/00/948127300.db2.gz QBLYUGFLBYHFJN-NSHDSACASA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CN(c3ncccc3-c3nnn[n-]3)CC2(C)C)C1 ZINC001573419819 948129409 /nfs/dbraw/zinc/12/94/09/948129409.db2.gz SXEIWFGQHVTJLJ-AWEZNQCLSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CN(c3ncccc3-c3nn[n-]n3)CC2(C)C)C1 ZINC001573419819 948129416 /nfs/dbraw/zinc/12/94/16/948129416.db2.gz SXEIWFGQHVTJLJ-AWEZNQCLSA-N -1 3 384.444 0.071 20 0 GCADHM Cn1cc(CN2CCN3C(=O)OC[C@H]3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361212 948129797 /nfs/dbraw/zinc/12/97/97/948129797.db2.gz POKULQXJKDIIIG-OAHLLOKOSA-N -1 3 380.412 0.904 20 0 GCADHM Cn1cc(CN2CCN3C(=O)OC[C@H]3C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361212 948129803 /nfs/dbraw/zinc/12/98/03/948129803.db2.gz POKULQXJKDIIIG-OAHLLOKOSA-N -1 3 380.412 0.904 20 0 GCADHM Cn1cc(CNC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)nn1 ZINC000826361398 948131187 /nfs/dbraw/zinc/13/11/87/948131187.db2.gz VVESTMQVVMUCDN-UHFFFAOYSA-N -1 3 382.432 0.417 20 0 GCADHM Cn1cc(CNC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)nn1 ZINC000826361398 948131194 /nfs/dbraw/zinc/13/11/94/948131194.db2.gz VVESTMQVVMUCDN-UHFFFAOYSA-N -1 3 382.432 0.417 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573419991 948132638 /nfs/dbraw/zinc/13/26/38/948132638.db2.gz XTUDQYCVMFHSDY-VHSXEESVSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573419991 948132639 /nfs/dbraw/zinc/13/26/39/948132639.db2.gz XTUDQYCVMFHSDY-VHSXEESVSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)[C@H]2C)C1 ZINC001573419981 948132741 /nfs/dbraw/zinc/13/27/41/948132741.db2.gz XETOXVLOJUMNQN-NHYWBVRUSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)[C@H]2C)C1 ZINC001573419981 948132747 /nfs/dbraw/zinc/13/27/47/948132747.db2.gz XETOXVLOJUMNQN-NHYWBVRUSA-N -1 3 384.444 0.214 20 0 GCADHM Cn1cc(NC(=O)C(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000826362494 948136182 /nfs/dbraw/zinc/13/61/82/948136182.db2.gz VJEFJXUWDZYJOP-UHFFFAOYSA-N -1 3 378.396 0.855 20 0 GCADHM Cn1cc(NC(=O)C(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000826362494 948136191 /nfs/dbraw/zinc/13/61/91/948136191.db2.gz VJEFJXUWDZYJOP-UHFFFAOYSA-N -1 3 378.396 0.855 20 0 GCADHM Cn1ccc(CC(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000826363040 948137880 /nfs/dbraw/zinc/13/78/80/948137880.db2.gz UNVUFDXKKQYLRK-UHFFFAOYSA-N -1 3 375.776 0.978 20 0 GCADHM Cn1ccc(CC(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000826363040 948137890 /nfs/dbraw/zinc/13/78/90/948137890.db2.gz UNVUFDXKKQYLRK-UHFFFAOYSA-N -1 3 375.776 0.978 20 0 GCADHM Cn1cccc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1=O ZINC000826363516 948137932 /nfs/dbraw/zinc/13/79/32/948137932.db2.gz PYMDCIRQWZHTBU-OAHLLOKOSA-N -1 3 394.391 0.918 20 0 GCADHM Cn1cccc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1=O ZINC000826363516 948137938 /nfs/dbraw/zinc/13/79/38/948137938.db2.gz PYMDCIRQWZHTBU-OAHLLOKOSA-N -1 3 394.391 0.918 20 0 GCADHM Cn1ccc(CC(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000826363092 948138476 /nfs/dbraw/zinc/13/84/76/948138476.db2.gz WTHBTZZBKBEVGE-UHFFFAOYSA-N -1 3 375.776 0.978 20 0 GCADHM Cn1ccc(CC(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000826363092 948138481 /nfs/dbraw/zinc/13/84/81/948138481.db2.gz WTHBTZZBKBEVGE-UHFFFAOYSA-N -1 3 375.776 0.978 20 0 GCADHM Cn1ccnc1[C@@H](O)C1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826364030 948139395 /nfs/dbraw/zinc/13/93/95/948139395.db2.gz INQORXSFUKCEAT-KRWDZBQOSA-N -1 3 396.455 0.984 20 0 GCADHM Cn1ccnc1[C@@H](O)C1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826364030 948139404 /nfs/dbraw/zinc/13/94/04/948139404.db2.gz INQORXSFUKCEAT-KRWDZBQOSA-N -1 3 396.455 0.984 20 0 GCADHM Cn1ccnc1[C@@H](O)C1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826364082 948140327 /nfs/dbraw/zinc/14/03/27/948140327.db2.gz KMLLHHQQPSKZBG-CVEARBPZSA-N -1 3 396.455 0.572 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3cccc(F)c3-c3nnn[n-]3)CCC2)C1 ZINC001573421687 948140395 /nfs/dbraw/zinc/14/03/95/948140395.db2.gz HTRVFKXPXOBQGW-UHFFFAOYSA-N -1 3 387.419 0.935 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3cccc(F)c3-c3nn[n-]n3)CCC2)C1 ZINC001573421687 948140400 /nfs/dbraw/zinc/14/04/00/948140400.db2.gz HTRVFKXPXOBQGW-UHFFFAOYSA-N -1 3 387.419 0.935 20 0 GCADHM Cn1ccnc1[C@H](O)C1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826364084 948140599 /nfs/dbraw/zinc/14/05/99/948140599.db2.gz KMLLHHQQPSKZBG-HZPDHXFCSA-N -1 3 396.455 0.572 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826364092 948140688 /nfs/dbraw/zinc/14/06/88/948140688.db2.gz KVLDCYUFAQRYKY-CYBMUJFWSA-N -1 3 382.432 0.606 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826364092 948140692 /nfs/dbraw/zinc/14/06/92/948140692.db2.gz KVLDCYUFAQRYKY-CYBMUJFWSA-N -1 3 382.432 0.606 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C(C)C)C1 ZINC001573422343 948142326 /nfs/dbraw/zinc/14/23/26/948142326.db2.gz JYOSCEDMUFDRRN-GFCCVEGCSA-N -1 3 392.489 0.663 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C2CC2)C1 ZINC001573422218 948142651 /nfs/dbraw/zinc/14/26/51/948142651.db2.gz ISFIURCWOGPJMT-GFCCVEGCSA-N -1 3 390.473 0.417 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573423712 948145987 /nfs/dbraw/zinc/14/59/87/948145987.db2.gz OWYWIEIJTDGGFQ-CYBMUJFWSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573423712 948145994 /nfs/dbraw/zinc/14/59/94/948145994.db2.gz OWYWIEIJTDGGFQ-CYBMUJFWSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C2CC2)C1 ZINC001573424376 948149046 /nfs/dbraw/zinc/14/90/46/948149046.db2.gz ZCAKXRYTMKWCKT-HNNXBMFYSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C2CC2)C1 ZINC001573424376 948149055 /nfs/dbraw/zinc/14/90/55/948149055.db2.gz ZCAKXRYTMKWCKT-HNNXBMFYSA-N -1 3 384.444 0.355 20 0 GCADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccn1 ZINC001573678415 948151027 /nfs/dbraw/zinc/15/10/27/948151027.db2.gz DRDNMNUUEOYDOS-HZMBPMFUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccn1 ZINC001573678415 948151037 /nfs/dbraw/zinc/15/10/37/948151037.db2.gz DRDNMNUUEOYDOS-HZMBPMFUSA-N -1 3 383.416 0.277 20 0 GCADHM CC(=O)N1CC2(CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)[C@H]2COC[C@H]21 ZINC001573425785 948153032 /nfs/dbraw/zinc/15/30/32/948153032.db2.gz DAZYAAUNGMUESY-DZGCQCFKSA-N -1 3 387.419 0.865 20 0 GCADHM CC(=O)N1CC2(CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)[C@H]2COC[C@H]21 ZINC001573425785 948153038 /nfs/dbraw/zinc/15/30/38/948153038.db2.gz DAZYAAUNGMUESY-DZGCQCFKSA-N -1 3 387.419 0.865 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573679153 948158029 /nfs/dbraw/zinc/15/80/29/948158029.db2.gz JIBKUEIHSGJYFI-GWCFXTLKSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573679153 948158034 /nfs/dbraw/zinc/15/80/34/948158034.db2.gz JIBKUEIHSGJYFI-GWCFXTLKSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573426902 948159817 /nfs/dbraw/zinc/15/98/17/948159817.db2.gz QOXYCZCKAOVHCN-GFCCVEGCSA-N -1 3 390.473 0.195 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](CNc3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573427422 948165530 /nfs/dbraw/zinc/16/55/30/948165530.db2.gz YHIBSQACSJKKCM-MQMHXKEQSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](CNc3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573427422 948165535 /nfs/dbraw/zinc/16/55/35/948165535.db2.gz YHIBSQACSJKKCM-MQMHXKEQSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)N(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573428781 948166921 /nfs/dbraw/zinc/16/69/21/948166921.db2.gz BLQKNNQUFZWONO-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)N(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573428781 948166931 /nfs/dbraw/zinc/16/69/31/948166931.db2.gz BLQKNNQUFZWONO-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)NCCN(C)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573430531 948176159 /nfs/dbraw/zinc/17/61/59/948176159.db2.gz QBOAAGDTORATKP-UHFFFAOYSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)N1CCC(C(=O)NCCN(C)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573430531 948176163 /nfs/dbraw/zinc/17/61/63/948176163.db2.gz QBOAAGDTORATKP-UHFFFAOYSA-N -1 3 389.435 0.817 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccs1 ZINC001573680424 948178975 /nfs/dbraw/zinc/17/89/75/948178975.db2.gz PWWFBEZCBZILNI-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccs1 ZINC001573680424 948178980 /nfs/dbraw/zinc/17/89/80/948178980.db2.gz PWWFBEZCBZILNI-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573431719 948182709 /nfs/dbraw/zinc/18/27/09/948182709.db2.gz ZNAGTPBONFYSSC-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573431719 948182719 /nfs/dbraw/zinc/18/27/19/948182719.db2.gz ZNAGTPBONFYSSC-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573432070 948184484 /nfs/dbraw/zinc/18/44/84/948184484.db2.gz CQUHOYNZZWJCHR-KZULUSFZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573432070 948184488 /nfs/dbraw/zinc/18/44/88/948184488.db2.gz CQUHOYNZZWJCHR-KZULUSFZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573432127 948185254 /nfs/dbraw/zinc/18/52/54/948185254.db2.gz DVMZHHQJZBZJCT-XIKOKIGWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573432127 948185260 /nfs/dbraw/zinc/18/52/60/948185260.db2.gz DVMZHHQJZBZJCT-XIKOKIGWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573432086 948185343 /nfs/dbraw/zinc/18/53/43/948185343.db2.gz CUXXDUKTGMVIKZ-KRWDZBQOSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573432086 948185347 /nfs/dbraw/zinc/18/53/47/948185347.db2.gz CUXXDUKTGMVIKZ-KRWDZBQOSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573432084 948185575 /nfs/dbraw/zinc/18/55/75/948185575.db2.gz CURURUORZDUSQP-KRWDZBQOSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573432084 948185582 /nfs/dbraw/zinc/18/55/82/948185582.db2.gz CURURUORZDUSQP-KRWDZBQOSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573432125 948185611 /nfs/dbraw/zinc/18/56/11/948185611.db2.gz DVMZHHQJZBZJCT-KZULUSFZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573432125 948185616 /nfs/dbraw/zinc/18/56/16/948185616.db2.gz DVMZHHQJZBZJCT-KZULUSFZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432440 948187251 /nfs/dbraw/zinc/18/72/51/948187251.db2.gz FQFVFWJDGQWDSD-XIKOKIGWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432440 948187258 /nfs/dbraw/zinc/18/72/58/948187258.db2.gz FQFVFWJDGQWDSD-XIKOKIGWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573432589 948188859 /nfs/dbraw/zinc/18/88/59/948188859.db2.gz HDFMIJDKFPFJLL-SGTLLEGYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573432589 948188863 /nfs/dbraw/zinc/18/88/63/948188863.db2.gz HDFMIJDKFPFJLL-SGTLLEGYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CC1 ZINC001573432535 948189832 /nfs/dbraw/zinc/18/98/32/948189832.db2.gz GTXOFEKXXFXYBW-HDJSIYSDSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CC1 ZINC001573432535 948189843 /nfs/dbraw/zinc/18/98/43/948189843.db2.gz GTXOFEKXXFXYBW-HDJSIYSDSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CC1 ZINC001573432538 948190385 /nfs/dbraw/zinc/19/03/85/948190385.db2.gz GTXOFEKXXFXYBW-OKILXGFUSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CC1 ZINC001573432538 948190392 /nfs/dbraw/zinc/19/03/92/948190392.db2.gz GTXOFEKXXFXYBW-OKILXGFUSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C)n1cncn1 ZINC001573681218 948197047 /nfs/dbraw/zinc/19/70/47/948197047.db2.gz VRUSKEKSLTYQCR-BXUZGUMPSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C)n1cncn1 ZINC001573681218 948197055 /nfs/dbraw/zinc/19/70/55/948197055.db2.gz VRUSKEKSLTYQCR-BXUZGUMPSA-N -1 3 382.432 0.445 20 0 GCADHM CC(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573433080 948197781 /nfs/dbraw/zinc/19/77/81/948197781.db2.gz JDRHQXDVPOIYJL-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573433080 948197784 /nfs/dbraw/zinc/19/77/84/948197784.db2.gz JDRHQXDVPOIYJL-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM NC(=O)CCC1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826391185 948198328 /nfs/dbraw/zinc/19/83/28/948198328.db2.gz ZOSIPAQKFAERCW-UHFFFAOYSA-N -1 3 389.391 0.448 20 0 GCADHM NC(=O)CCC1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826391185 948198332 /nfs/dbraw/zinc/19/83/32/948198332.db2.gz ZOSIPAQKFAERCW-UHFFFAOYSA-N -1 3 389.391 0.448 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573681275 948198692 /nfs/dbraw/zinc/19/86/92/948198692.db2.gz UELLDQWJOPJOPB-POYBYMJQSA-N -1 3 377.302 0.488 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573681275 948198697 /nfs/dbraw/zinc/19/86/97/948198697.db2.gz UELLDQWJOPJOPB-POYBYMJQSA-N -1 3 377.302 0.488 20 0 GCADHM NC(=O)N1CCc2cc(NC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826392157 948200949 /nfs/dbraw/zinc/20/09/49/948200949.db2.gz PCRJFKWFZLOXNI-HNNXBMFYSA-N -1 3 379.380 0.980 20 0 GCADHM NC(=O)N1CCc2cc(NC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826392157 948200958 /nfs/dbraw/zinc/20/09/58/948200958.db2.gz PCRJFKWFZLOXNI-HNNXBMFYSA-N -1 3 379.380 0.980 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)o1 ZINC000826393503 948201387 /nfs/dbraw/zinc/20/13/87/948201387.db2.gz VFDPAPKYMZRTQU-ZDUSSCGKSA-N -1 3 396.363 0.911 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)o1 ZINC000826393503 948201399 /nfs/dbraw/zinc/20/13/99/948201399.db2.gz VFDPAPKYMZRTQU-ZDUSSCGKSA-N -1 3 396.363 0.911 20 0 GCADHM NS(=O)(=O)Cc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826394367 948203049 /nfs/dbraw/zinc/20/30/49/948203049.db2.gz HOOOEJZIYAFCJZ-CQSZACIVSA-N -1 3 388.409 0.327 20 0 GCADHM NS(=O)(=O)Cc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826394367 948203056 /nfs/dbraw/zinc/20/30/56/948203056.db2.gz HOOOEJZIYAFCJZ-CQSZACIVSA-N -1 3 388.409 0.327 20 0 GCADHM NC(=O)c1cccc(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000826393781 948203706 /nfs/dbraw/zinc/20/37/06/948203706.db2.gz JNHDALPIBHZNGI-UHFFFAOYSA-N -1 3 394.399 0.110 20 0 GCADHM NC(=O)c1cccc(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000826393781 948203712 /nfs/dbraw/zinc/20/37/12/948203712.db2.gz JNHDALPIBHZNGI-UHFFFAOYSA-N -1 3 394.399 0.110 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573433792 948205280 /nfs/dbraw/zinc/20/52/80/948205280.db2.gz NUROLXNYJCTZFJ-KDOFPFPSSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573433792 948205288 /nfs/dbraw/zinc/20/52/88/948205288.db2.gz NUROLXNYJCTZFJ-KDOFPFPSSA-N -1 3 384.444 0.215 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC2(CCO)CCOCC2)cc1 ZINC000826395384 948206847 /nfs/dbraw/zinc/20/68/47/948206847.db2.gz YPXSYYXTJNSCMX-UHFFFAOYSA-N -1 3 398.427 0.296 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC2(CCO)CCOCC2)cc1 ZINC000826395384 948206857 /nfs/dbraw/zinc/20/68/57/948206857.db2.gz YPXSYYXTJNSCMX-UHFFFAOYSA-N -1 3 398.427 0.296 20 0 GCADHM O=C(C1CC1)N1CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826398058 948211536 /nfs/dbraw/zinc/21/15/36/948211536.db2.gz PHFCAXNUCGCLFP-QGZVFWFLSA-N -1 3 395.467 0.916 20 0 GCADHM O=C(C1CC1)N1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826398058 948211538 /nfs/dbraw/zinc/21/15/38/948211538.db2.gz PHFCAXNUCGCLFP-QGZVFWFLSA-N -1 3 395.467 0.916 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573434278 948211913 /nfs/dbraw/zinc/21/19/13/948211913.db2.gz PQCNSCKAHAITFW-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573434278 948211925 /nfs/dbraw/zinc/21/19/25/948211925.db2.gz PQCNSCKAHAITFW-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573434323 948213636 /nfs/dbraw/zinc/21/36/36/948213636.db2.gz QINDLHOXCGUIEH-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573434323 948213647 /nfs/dbraw/zinc/21/36/47/948213647.db2.gz QINDLHOXCGUIEH-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573435513 948229984 /nfs/dbraw/zinc/22/99/84/948229984.db2.gz XWPNRKIHFPXHJT-KRWDZBQOSA-N -1 3 391.501 0.735 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573435671 948233264 /nfs/dbraw/zinc/23/32/64/948233264.db2.gz ZALIQSUAWLURHN-KPZWWZAWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573435671 948233276 /nfs/dbraw/zinc/23/32/76/948233276.db2.gz ZALIQSUAWLURHN-KPZWWZAWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573691123 948237475 /nfs/dbraw/zinc/23/74/75/948237475.db2.gz DDCJBZMIOVSDEL-WCQYABFASA-N -1 3 384.444 0.627 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573691123 948237483 /nfs/dbraw/zinc/23/74/83/948237483.db2.gz DDCJBZMIOVSDEL-WCQYABFASA-N -1 3 384.444 0.627 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573438612 948238408 /nfs/dbraw/zinc/23/84/08/948238408.db2.gz CZXYPLXWUZTYHF-TZMCWYRMSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573438612 948238418 /nfs/dbraw/zinc/23/84/18/948238418.db2.gz CZXYPLXWUZTYHF-TZMCWYRMSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573438775 948240240 /nfs/dbraw/zinc/24/02/40/948240240.db2.gz FHWVZXPVUQXRNG-AWEZNQCLSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573438775 948240246 /nfs/dbraw/zinc/24/02/46/948240246.db2.gz FHWVZXPVUQXRNG-AWEZNQCLSA-N -1 3 384.444 0.169 20 0 GCADHM O=C(CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)NCc1cccnc1 ZINC000826410855 948247691 /nfs/dbraw/zinc/24/76/91/948247691.db2.gz AJLSLDSPWLDDHT-KRWDZBQOSA-N -1 3 379.424 0.951 20 0 GCADHM O=C(CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)NCc1cccnc1 ZINC000826410855 948247701 /nfs/dbraw/zinc/24/77/01/948247701.db2.gz AJLSLDSPWLDDHT-KRWDZBQOSA-N -1 3 379.424 0.951 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1nncn1-c1ccccc1 ZINC000826411977 948248513 /nfs/dbraw/zinc/24/85/13/948248513.db2.gz WICGVKLYQDXQFR-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1nncn1-c1ccccc1 ZINC000826411977 948248521 /nfs/dbraw/zinc/24/85/21/948248521.db2.gz WICGVKLYQDXQFR-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1CCN(c2ncccc2F)C1 ZINC000826413688 948253413 /nfs/dbraw/zinc/25/34/13/948253413.db2.gz NTQVGNSDTJAZGN-LBPRGKRZSA-N -1 3 383.391 0.603 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1CCN(c2ncccc2F)C1 ZINC000826413688 948253421 /nfs/dbraw/zinc/25/34/21/948253421.db2.gz NTQVGNSDTJAZGN-LBPRGKRZSA-N -1 3 383.391 0.603 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)n1cccn1 ZINC001573692110 948256172 /nfs/dbraw/zinc/25/61/72/948256172.db2.gz LRLBPXSVDBQUHT-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)n1cccn1 ZINC001573692110 948256182 /nfs/dbraw/zinc/25/61/82/948256182.db2.gz LRLBPXSVDBQUHT-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NCC(=O)N1CCOCC1 ZINC000826419924 948263601 /nfs/dbraw/zinc/26/36/01/948263601.db2.gz REHZMKZRUDBOSY-UHFFFAOYSA-N -1 3 376.442 0.075 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCC(=O)N1CCOCC1 ZINC000826419924 948263611 /nfs/dbraw/zinc/26/36/11/948263611.db2.gz REHZMKZRUDBOSY-UHFFFAOYSA-N -1 3 376.442 0.075 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573692611 948269438 /nfs/dbraw/zinc/26/94/38/948269438.db2.gz QANRALLWWGXQFQ-PWSUYJOCSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573692611 948269446 /nfs/dbraw/zinc/26/94/46/948269446.db2.gz QANRALLWWGXQFQ-PWSUYJOCSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573692592 948269521 /nfs/dbraw/zinc/26/95/21/948269521.db2.gz PZAXMCATFZVKDJ-SCZZXKLOSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573692592 948269529 /nfs/dbraw/zinc/26/95/29/948269529.db2.gz PZAXMCATFZVKDJ-SCZZXKLOSA-N -1 3 385.375 0.035 20 0 GCADHM O=C(Cn1cccnc1=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826424501 948273082 /nfs/dbraw/zinc/27/30/82/948273082.db2.gz PBGIQVOXIOPVRT-UHFFFAOYSA-N -1 3 397.786 0.901 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573441988 948284339 /nfs/dbraw/zinc/28/43/39/948284339.db2.gz FEHLOCOPLXULQF-INIZCTEOSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573441988 948284346 /nfs/dbraw/zinc/28/43/46/948284346.db2.gz FEHLOCOPLXULQF-INIZCTEOSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573442255 948287855 /nfs/dbraw/zinc/28/78/55/948287855.db2.gz GDJQGDMIMFRTLX-GFCCVEGCSA-N -1 3 389.485 0.487 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@@H](O)CCc1ccccc1 ZINC000826437988 948293430 /nfs/dbraw/zinc/29/34/30/948293430.db2.gz JADXYSXYIJWODR-INIZCTEOSA-N -1 3 396.455 0.967 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@@H](O)CCc1ccccc1 ZINC000826437988 948293440 /nfs/dbraw/zinc/29/34/40/948293440.db2.gz JADXYSXYIJWODR-INIZCTEOSA-N -1 3 396.455 0.967 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442501 948293686 /nfs/dbraw/zinc/29/36/86/948293686.db2.gz IIYORCPKAGMIEW-WFASDCNBSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442501 948293694 /nfs/dbraw/zinc/29/36/94/948293694.db2.gz IIYORCPKAGMIEW-WFASDCNBSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442496 948293900 /nfs/dbraw/zinc/29/39/00/948293900.db2.gz IIYORCPKAGMIEW-DOMZBBRYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442496 948293909 /nfs/dbraw/zinc/29/39/09/948293909.db2.gz IIYORCPKAGMIEW-DOMZBBRYSA-N -1 3 386.460 0.461 20 0 GCADHM O=C(NCCc1ccc(CO)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826439131 948295003 /nfs/dbraw/zinc/29/50/03/948295003.db2.gz GJYNNNNXIIZMEP-UHFFFAOYSA-N -1 3 384.371 0.796 20 0 GCADHM O=C(NCCc1ccc(CO)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826439131 948295009 /nfs/dbraw/zinc/29/50/09/948295009.db2.gz GJYNNNNXIIZMEP-UHFFFAOYSA-N -1 3 384.371 0.796 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1cccc2c1OCO2 ZINC000826438268 948296027 /nfs/dbraw/zinc/29/60/27/948296027.db2.gz VQEZNXIIZHCHPP-UHFFFAOYSA-N -1 3 396.367 0.157 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1cccc2c1OCO2 ZINC000826438268 948296033 /nfs/dbraw/zinc/29/60/33/948296033.db2.gz VQEZNXIIZHCHPP-UHFFFAOYSA-N -1 3 396.367 0.157 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NC[C@@H]1CCCCS1(=O)=O ZINC000826440298 948297547 /nfs/dbraw/zinc/29/75/47/948297547.db2.gz HOOOQAPBAPUOMZ-LBPRGKRZSA-N -1 3 382.421 0.772 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NC[C@@H]1CCCCS1(=O)=O ZINC000826440298 948297554 /nfs/dbraw/zinc/29/75/54/948297554.db2.gz HOOOQAPBAPUOMZ-LBPRGKRZSA-N -1 3 382.421 0.772 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573694707 948298206 /nfs/dbraw/zinc/29/82/06/948298206.db2.gz DAPQYLSXOVLKTL-QLJPJBMISA-N -1 3 381.387 0.610 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573694707 948298213 /nfs/dbraw/zinc/29/82/13/948298213.db2.gz DAPQYLSXOVLKTL-QLJPJBMISA-N -1 3 381.387 0.610 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442696 948298649 /nfs/dbraw/zinc/29/86/49/948298649.db2.gz KBAWHJKKOQRKHX-WFASDCNBSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442696 948298661 /nfs/dbraw/zinc/29/86/61/948298661.db2.gz KBAWHJKKOQRKHX-WFASDCNBSA-N -1 3 386.460 0.684 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1)n1cccn1 ZINC001573695057 948300779 /nfs/dbraw/zinc/30/07/79/948300779.db2.gz WRMBSWKFGCZMOG-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1)n1cccn1 ZINC001573695057 948300787 /nfs/dbraw/zinc/30/07/87/948300787.db2.gz WRMBSWKFGCZMOG-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCCC1 ZINC001573695244 948302271 /nfs/dbraw/zinc/30/22/71/948302271.db2.gz FTVRRODPRJKSMO-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCCC1 ZINC001573695244 948302279 /nfs/dbraw/zinc/30/22/79/948302279.db2.gz FTVRRODPRJKSMO-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001573695304 948304828 /nfs/dbraw/zinc/30/48/28/948304828.db2.gz GFBLBAPYLSUMTL-CJNGLKHVSA-N -1 3 386.456 0.345 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001573695304 948304836 /nfs/dbraw/zinc/30/48/36/948304836.db2.gz GFBLBAPYLSUMTL-CJNGLKHVSA-N -1 3 386.456 0.345 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573695315 948305426 /nfs/dbraw/zinc/30/54/26/948305426.db2.gz GHBUVQWHKNPTAS-AWEZNQCLSA-N -1 3 381.440 0.592 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573695315 948305440 /nfs/dbraw/zinc/30/54/40/948305440.db2.gz GHBUVQWHKNPTAS-AWEZNQCLSA-N -1 3 381.440 0.592 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573443369 948305323 /nfs/dbraw/zinc/30/53/23/948305323.db2.gz NBWYWXRPFTUXIX-INIZCTEOSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573443369 948305332 /nfs/dbraw/zinc/30/53/32/948305332.db2.gz NBWYWXRPFTUXIX-INIZCTEOSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573443406 948305352 /nfs/dbraw/zinc/30/53/52/948305352.db2.gz NJIWNOVRIOLZFT-SMDDNHRTSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573443406 948305362 /nfs/dbraw/zinc/30/53/62/948305362.db2.gz NJIWNOVRIOLZFT-SMDDNHRTSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573443815 948307275 /nfs/dbraw/zinc/30/72/75/948307275.db2.gz PRTNQBCMDPRJFF-GXTWGEPZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573443815 948307285 /nfs/dbraw/zinc/30/72/85/948307285.db2.gz PRTNQBCMDPRJFF-GXTWGEPZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573443817 948307646 /nfs/dbraw/zinc/30/76/46/948307646.db2.gz PRTNQBCMDPRJFF-JSGCOSHPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573443817 948307653 /nfs/dbraw/zinc/30/76/53/948307653.db2.gz PRTNQBCMDPRJFF-JSGCOSHPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573443810 948308188 /nfs/dbraw/zinc/30/81/88/948308188.db2.gz PROVWDZBBXPFKF-CABZTGNLSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573444124 948312531 /nfs/dbraw/zinc/31/25/31/948312531.db2.gz RKDPTTVATVEJJI-TZMCWYRMSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573444124 948312541 /nfs/dbraw/zinc/31/25/41/948312541.db2.gz RKDPTTVATVEJJI-TZMCWYRMSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573444121 948313308 /nfs/dbraw/zinc/31/33/08/948313308.db2.gz RKDPTTVATVEJJI-JSGCOSHPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573444121 948313319 /nfs/dbraw/zinc/31/33/19/948313319.db2.gz RKDPTTVATVEJJI-JSGCOSHPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573444366 948313790 /nfs/dbraw/zinc/31/37/90/948313790.db2.gz SPHHFCZDWBCJAM-TZMCWYRMSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573444366 948313797 /nfs/dbraw/zinc/31/37/97/948313797.db2.gz SPHHFCZDWBCJAM-TZMCWYRMSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)(F)F ZINC001573696256 948320026 /nfs/dbraw/zinc/32/00/26/948320026.db2.gz MQYUPXVTAGSQAH-QFYYESIMSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)(F)F ZINC001573696256 948320035 /nfs/dbraw/zinc/32/00/35/948320035.db2.gz MQYUPXVTAGSQAH-QFYYESIMSA-N -1 3 381.387 0.610 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000826452835 948323236 /nfs/dbraw/zinc/32/32/36/948323236.db2.gz KRHUZRSNSVKQCD-CZUORRHYSA-N -1 3 392.441 0.725 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000826452835 948323247 /nfs/dbraw/zinc/32/32/47/948323247.db2.gz KRHUZRSNSVKQCD-CZUORRHYSA-N -1 3 392.441 0.725 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCC(CCCO)CC1 ZINC000826453895 948325203 /nfs/dbraw/zinc/32/52/03/948325203.db2.gz CVARICZZPIMTSW-UHFFFAOYSA-N -1 3 376.392 0.955 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCC(CCCO)CC1 ZINC000826453895 948325212 /nfs/dbraw/zinc/32/52/12/948325212.db2.gz CVARICZZPIMTSW-UHFFFAOYSA-N -1 3 376.392 0.955 20 0 GCADHM C[C@@H](C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573696492 948326109 /nfs/dbraw/zinc/32/61/09/948326109.db2.gz RFXMNXIWJLRLOB-DCBWTQNWSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573696492 948326114 /nfs/dbraw/zinc/32/61/14/948326114.db2.gz RFXMNXIWJLRLOB-DCBWTQNWSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573446546 948330599 /nfs/dbraw/zinc/33/05/99/948330599.db2.gz IJZXEFPPMRZNFU-MRXNPFEDSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573446546 948330609 /nfs/dbraw/zinc/33/06/09/948330609.db2.gz IJZXEFPPMRZNFU-MRXNPFEDSA-N -1 3 387.419 0.317 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573696825 948333544 /nfs/dbraw/zinc/33/35/44/948333544.db2.gz XNECXHVEGRXQLV-VOJFVSQTSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573696825 948333552 /nfs/dbraw/zinc/33/35/52/948333552.db2.gz XNECXHVEGRXQLV-VOJFVSQTSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573696796 948333568 /nfs/dbraw/zinc/33/35/68/948333568.db2.gz XEMMRCWYFPHYDV-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573446639 948333570 /nfs/dbraw/zinc/33/35/70/948333570.db2.gz KYNAFMPROUQITB-LSDHHAIUSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573446639 948333578 /nfs/dbraw/zinc/33/35/78/948333578.db2.gz KYNAFMPROUQITB-LSDHHAIUSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573696796 948333576 /nfs/dbraw/zinc/33/35/76/948333576.db2.gz XEMMRCWYFPHYDV-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573446618 948334572 /nfs/dbraw/zinc/33/45/72/948334572.db2.gz KPHVGEZFZZRZJM-IAQYHMDHSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573446618 948334579 /nfs/dbraw/zinc/33/45/79/948334579.db2.gz KPHVGEZFZZRZJM-IAQYHMDHSA-N -1 3 389.435 0.958 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCC1)[C@H]1CCC(=O)N1 ZINC001573696815 948334657 /nfs/dbraw/zinc/33/46/57/948334657.db2.gz XKGHJHNVIIFNTK-WCQYABFASA-N -1 3 384.444 0.627 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573696815 948334661 /nfs/dbraw/zinc/33/46/61/948334661.db2.gz XKGHJHNVIIFNTK-WCQYABFASA-N -1 3 384.444 0.627 20 0 GCADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)N(CCO)CCO ZINC000826457720 948334719 /nfs/dbraw/zinc/33/47/19/948334719.db2.gz NBDYFLYCYJLRTO-UHFFFAOYSA-N -1 3 392.807 0.524 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573446866 948337272 /nfs/dbraw/zinc/33/72/72/948337272.db2.gz PZDXWCZPXJNQAO-JKSUJKDBSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573446866 948337281 /nfs/dbraw/zinc/33/72/81/948337281.db2.gz PZDXWCZPXJNQAO-JKSUJKDBSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573447074 948341136 /nfs/dbraw/zinc/34/11/36/948341136.db2.gz UCLDELXMFFYJRK-GXTWGEPZSA-N -1 3 388.407 0.425 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573447074 948341142 /nfs/dbraw/zinc/34/11/42/948341142.db2.gz UCLDELXMFFYJRK-GXTWGEPZSA-N -1 3 388.407 0.425 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573703369 948355251 /nfs/dbraw/zinc/35/52/51/948355251.db2.gz JTJMTROKXDBSDN-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573703369 948355258 /nfs/dbraw/zinc/35/52/58/948355258.db2.gz JTJMTROKXDBSDN-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573703625 948357476 /nfs/dbraw/zinc/35/74/76/948357476.db2.gz LJTANZRJBLXYAJ-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573703625 948357483 /nfs/dbraw/zinc/35/74/83/948357483.db2.gz LJTANZRJBLXYAJ-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573703672 948358136 /nfs/dbraw/zinc/35/81/36/948358136.db2.gz LXYQBSJSNGVCNL-IUODEOHRSA-N -1 3 392.485 0.380 20 0 GCADHM O=C(OCc1nnnn1Cc1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826467546 948362246 /nfs/dbraw/zinc/36/22/46/948362246.db2.gz BBLKPVJHULAFJL-INIZCTEOSA-N -1 3 392.379 0.678 20 0 GCADHM O=C(OCc1nnnn1Cc1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826467546 948362257 /nfs/dbraw/zinc/36/22/57/948362257.db2.gz BBLKPVJHULAFJL-INIZCTEOSA-N -1 3 392.379 0.678 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573704048 948363488 /nfs/dbraw/zinc/36/34/88/948363488.db2.gz OMDNWQSSERQILM-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573704048 948363498 /nfs/dbraw/zinc/36/34/98/948363498.db2.gz OMDNWQSSERQILM-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573704189 948368568 /nfs/dbraw/zinc/36/85/68/948368568.db2.gz QESYRZXLIPBGEM-ZYHUDNBSSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573704189 948368574 /nfs/dbraw/zinc/36/85/74/948368574.db2.gz QESYRZXLIPBGEM-ZYHUDNBSSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573704376 948371217 /nfs/dbraw/zinc/37/12/17/948371217.db2.gz AYFGIMQKPITMQK-VXGBXAGGSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573704376 948371226 /nfs/dbraw/zinc/37/12/26/948371226.db2.gz AYFGIMQKPITMQK-VXGBXAGGSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573704437 948374403 /nfs/dbraw/zinc/37/44/03/948374403.db2.gz SHQYKDQVCACCFG-WFASDCNBSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573704437 948374409 /nfs/dbraw/zinc/37/44/09/948374409.db2.gz SHQYKDQVCACCFG-WFASDCNBSA-N -1 3 381.444 0.884 20 0 GCADHM O=C(c1ccn(C(F)F)n1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826475235 948375140 /nfs/dbraw/zinc/37/51/40/948375140.db2.gz ZIMALYBFOCQUCW-UHFFFAOYSA-N -1 3 375.343 0.816 20 0 GCADHM O=C(c1ccn(C(F)F)n1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826475235 948375145 /nfs/dbraw/zinc/37/51/45/948375145.db2.gz ZIMALYBFOCQUCW-UHFFFAOYSA-N -1 3 375.343 0.816 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573704698 948380543 /nfs/dbraw/zinc/38/05/43/948380543.db2.gz CMOTTZRHWVYPGW-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573704698 948380550 /nfs/dbraw/zinc/38/05/50/948380550.db2.gz CMOTTZRHWVYPGW-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM O=C1OC[C@H]2CN([C@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476389 948381642 /nfs/dbraw/zinc/38/16/42/948381642.db2.gz GLFVGSHNGCLYLB-CABCVRRESA-N -1 3 383.412 0.499 20 0 GCADHM O=C1OC[C@H]2CN([C@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476389 948381648 /nfs/dbraw/zinc/38/16/48/948381648.db2.gz GLFVGSHNGCLYLB-CABCVRRESA-N -1 3 383.412 0.499 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573704807 948381843 /nfs/dbraw/zinc/38/18/43/948381843.db2.gz FDJQDNZVFKUYTC-BDAKNGLRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573704807 948381851 /nfs/dbraw/zinc/38/18/51/948381851.db2.gz FDJQDNZVFKUYTC-BDAKNGLRSA-N -1 3 385.350 0.972 20 0 GCADHM O=C1CC[C@H]2CN([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826477052 948385098 /nfs/dbraw/zinc/38/50/98/948385098.db2.gz UUPIWYUKOGBRNB-JKSUJKDBSA-N -1 3 381.440 0.669 20 0 GCADHM O=C1CC[C@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826477052 948385104 /nfs/dbraw/zinc/38/51/04/948385104.db2.gz UUPIWYUKOGBRNB-JKSUJKDBSA-N -1 3 381.440 0.669 20 0 GCADHM C[C@@H](C(=O)NCC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)n1cncn1 ZINC001573705285 948396551 /nfs/dbraw/zinc/39/65/51/948396551.db2.gz GZRHJRVCOYLJNW-NSHDSACASA-N -1 3 385.407 0.407 20 0 GCADHM O=S(=O)(C1CC1)N1CCC(Nc2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826483828 948397909 /nfs/dbraw/zinc/39/79/09/948397909.db2.gz BFJRPWYKGZEVOR-UHFFFAOYSA-N -1 3 388.457 0.883 20 0 GCADHM O=S(=O)(C1CC1)N1CCC(Nc2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826483828 948397915 /nfs/dbraw/zinc/39/79/15/948397915.db2.gz BFJRPWYKGZEVOR-UHFFFAOYSA-N -1 3 388.457 0.883 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CCC1 ZINC001573705529 948402714 /nfs/dbraw/zinc/40/27/14/948402714.db2.gz ICHVDXHQVRUTKH-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CCC1 ZINC001573705529 948402723 /nfs/dbraw/zinc/40/27/23/948402723.db2.gz ICHVDXHQVRUTKH-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)C(C)(F)F ZINC001573705612 948403624 /nfs/dbraw/zinc/40/36/24/948403624.db2.gz GJCZFUGYUDTIEL-ZYHUDNBSSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)C(C)(F)F ZINC001573705612 948403628 /nfs/dbraw/zinc/40/36/28/948403628.db2.gz GJCZFUGYUDTIEL-ZYHUDNBSSA-N -1 3 381.387 0.874 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490220 948403848 /nfs/dbraw/zinc/40/38/48/948403848.db2.gz NKIQLAMOFJLSRI-MNOVXSKESA-N -1 3 398.876 0.662 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573705964 948409181 /nfs/dbraw/zinc/40/91/81/948409181.db2.gz HWBIKFZFEDDDGU-CHWSQXEVSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573705964 948409185 /nfs/dbraw/zinc/40/91/85/948409185.db2.gz HWBIKFZFEDDDGU-CHWSQXEVSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573705966 948409558 /nfs/dbraw/zinc/40/95/58/948409558.db2.gz HWBIKFZFEDDDGU-OLZOCXBDSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573705966 948409563 /nfs/dbraw/zinc/40/95/63/948409563.db2.gz HWBIKFZFEDDDGU-OLZOCXBDSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573706007 948411058 /nfs/dbraw/zinc/41/10/58/948411058.db2.gz JCURMQPLYJZXEN-NWDGAFQWSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573706007 948411067 /nfs/dbraw/zinc/41/10/67/948411067.db2.gz JCURMQPLYJZXEN-NWDGAFQWSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573706057 948412037 /nfs/dbraw/zinc/41/20/37/948412037.db2.gz JLLSLERRVGNEMS-WCQYABFASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573706057 948412048 /nfs/dbraw/zinc/41/20/48/948412048.db2.gz JLLSLERRVGNEMS-WCQYABFASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573706425 948419087 /nfs/dbraw/zinc/41/90/87/948419087.db2.gz KOGOOJVMZRXNLX-OLZOCXBDSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573706425 948419091 /nfs/dbraw/zinc/41/90/91/948419091.db2.gz KOGOOJVMZRXNLX-OLZOCXBDSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)n1cccn1 ZINC001573706819 948424171 /nfs/dbraw/zinc/42/41/71/948424171.db2.gz LFMOWKVYFKXNRI-TZMCWYRMSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)n1cccn1 ZINC001573706819 948424173 /nfs/dbraw/zinc/42/41/73/948424173.db2.gz LFMOWKVYFKXNRI-TZMCWYRMSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1)C1CC1 ZINC001573706871 948426844 /nfs/dbraw/zinc/42/68/44/948426844.db2.gz MMJUZFBQZZFKJE-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1)C1CC1 ZINC001573706871 948426848 /nfs/dbraw/zinc/42/68/48/948426848.db2.gz MMJUZFBQZZFKJE-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)C(C)(F)F ZINC001573707240 948430034 /nfs/dbraw/zinc/43/00/34/948430034.db2.gz NIDSUGSFJSTIAZ-WDEREUQCSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)C(C)(F)F ZINC001573707240 948430039 /nfs/dbraw/zinc/43/00/39/948430039.db2.gz NIDSUGSFJSTIAZ-WDEREUQCSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)c1ccco1 ZINC001573707824 948440118 /nfs/dbraw/zinc/44/01/18/948440118.db2.gz QBXIOJCLSSIMCO-QWHCGFSZSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)c1ccco1 ZINC001573707824 948440122 /nfs/dbraw/zinc/44/01/22/948440122.db2.gz QBXIOJCLSSIMCO-QWHCGFSZSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)c1ccco1 ZINC001573707827 948440142 /nfs/dbraw/zinc/44/01/42/948440142.db2.gz QBXIOJCLSSIMCO-STQMWFEESA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)c1ccco1 ZINC001573707827 948440145 /nfs/dbraw/zinc/44/01/45/948440145.db2.gz QBXIOJCLSSIMCO-STQMWFEESA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573708380 948450443 /nfs/dbraw/zinc/45/04/43/948450443.db2.gz UNHZQDHLZRUHGS-OLZOCXBDSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573708380 948450447 /nfs/dbraw/zinc/45/04/47/948450447.db2.gz UNHZQDHLZRUHGS-OLZOCXBDSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nc2)CC1)n1cncn1 ZINC001573708647 948455337 /nfs/dbraw/zinc/45/53/37/948455337.db2.gz WOWJQAZBVBCIKO-GFCCVEGCSA-N -1 3 382.432 0.813 20 0 GCADHM C[C@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nc2)CC1)n1cncn1 ZINC001573708647 948455345 /nfs/dbraw/zinc/45/53/45/948455345.db2.gz WOWJQAZBVBCIKO-GFCCVEGCSA-N -1 3 382.432 0.813 20 0 GCADHM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nc2)CC1)n1cncn1 ZINC001573708648 948456390 /nfs/dbraw/zinc/45/63/90/948456390.db2.gz WOWJQAZBVBCIKO-LBPRGKRZSA-N -1 3 382.432 0.813 20 0 GCADHM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nc2)CC1)n1cncn1 ZINC001573708648 948456397 /nfs/dbraw/zinc/45/63/97/948456397.db2.gz WOWJQAZBVBCIKO-LBPRGKRZSA-N -1 3 382.432 0.813 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573708786 948460245 /nfs/dbraw/zinc/46/02/45/948460245.db2.gz XTESGOXQBGKYDB-STQMWFEESA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573708786 948460250 /nfs/dbraw/zinc/46/02/50/948460250.db2.gz XTESGOXQBGKYDB-STQMWFEESA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cccc1 ZINC001573708901 948461152 /nfs/dbraw/zinc/46/11/52/948461152.db2.gz YNPGSJBIZNTDOE-UKRRQHHQSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cccc1 ZINC001573708901 948461158 /nfs/dbraw/zinc/46/11/58/948461158.db2.gz YNPGSJBIZNTDOE-UKRRQHHQSA-N -1 3 382.428 0.646 20 0 GCADHM c1nnc2ccc(N3CCN(c4nc5ccccn5c4-c4nnn[n-]4)CC3)nn12 ZINC000826524103 948461170 /nfs/dbraw/zinc/46/11/70/948461170.db2.gz JIISSIDTKUYISW-UHFFFAOYSA-N -1 3 388.399 0.279 20 0 GCADHM c1nnc2ccc(N3CCN(c4nc5ccccn5c4-c4nn[n-]n4)CC3)nn12 ZINC000826524103 948461174 /nfs/dbraw/zinc/46/11/74/948461174.db2.gz JIISSIDTKUYISW-UHFFFAOYSA-N -1 3 388.399 0.279 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1)C1CC1 ZINC001573708857 948461373 /nfs/dbraw/zinc/46/13/73/948461373.db2.gz XYJUHSFZZOGQCS-GWCFXTLKSA-N -1 3 375.408 0.768 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1)C1CC1 ZINC001573708857 948461376 /nfs/dbraw/zinc/46/13/76/948461376.db2.gz XYJUHSFZZOGQCS-GWCFXTLKSA-N -1 3 375.408 0.768 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573709001 948463972 /nfs/dbraw/zinc/46/39/72/948463972.db2.gz YWNGCDVFTODXHV-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573709001 948463981 /nfs/dbraw/zinc/46/39/81/948463981.db2.gz YWNGCDVFTODXHV-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573714035 948469644 /nfs/dbraw/zinc/46/96/44/948469644.db2.gz CQVKIZDDMGBDSM-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573714035 948469650 /nfs/dbraw/zinc/46/96/50/948469650.db2.gz CQVKIZDDMGBDSM-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM CCOC(=O)C1([S@](C)=O)CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001140998485 948479877 /nfs/dbraw/zinc/47/98/77/948479877.db2.gz XLTADTSFHMEYEA-MHZLTWQESA-N -1 3 392.441 0.178 20 0 GCADHM CCOC(=O)C1([S@](C)=O)CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001140998485 948479885 /nfs/dbraw/zinc/47/98/85/948479885.db2.gz XLTADTSFHMEYEA-MHZLTWQESA-N -1 3 392.441 0.178 20 0 GCADHM CC(C(=O)NCCCOCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)=C1CCC1 ZINC001573715114 948482192 /nfs/dbraw/zinc/48/21/92/948482192.db2.gz ORLSMKKIINUQIC-UHFFFAOYSA-N -1 3 387.444 0.948 20 0 GCADHM CC(C(=O)NCCCOCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)=C1CCC1 ZINC001573715114 948482198 /nfs/dbraw/zinc/48/21/98/948482198.db2.gz ORLSMKKIINUQIC-UHFFFAOYSA-N -1 3 387.444 0.948 20 0 GCADHM O=C(NCCn1cc(Br)ccc1=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001159852881 948485202 /nfs/dbraw/zinc/48/52/02/948485202.db2.gz OGWQYUOCHUTGKU-UHFFFAOYSA-N -1 3 390.201 0.616 20 0 GCADHM O=C(NCCn1cc(Br)ccc1=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001159852881 948485212 /nfs/dbraw/zinc/48/52/12/948485212.db2.gz OGWQYUOCHUTGKU-UHFFFAOYSA-N -1 3 390.201 0.616 20 0 GCADHM C[C@@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001573715561 948492525 /nfs/dbraw/zinc/49/25/25/948492525.db2.gz ZECICPOYFQNSJB-ABAIWWIYSA-N -1 3 389.435 0.469 20 0 GCADHM C[C@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCC(=O)N1 ZINC001573715564 948494036 /nfs/dbraw/zinc/49/40/36/948494036.db2.gz ZECICPOYFQNSJB-XHDPSFHLSA-N -1 3 389.435 0.469 20 0 GCADHM CCn1nnc(C)c1CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001191819510 948494380 /nfs/dbraw/zinc/49/43/80/948494380.db2.gz KGOKTBMZBRZWFK-UHFFFAOYSA-N -1 3 382.837 0.918 20 0 GCADHM CCn1nnc(C)c1CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001191819510 948494386 /nfs/dbraw/zinc/49/43/86/948494386.db2.gz KGOKTBMZBRZWFK-UHFFFAOYSA-N -1 3 382.837 0.918 20 0 GCADHM COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001305733658 948501650 /nfs/dbraw/zinc/50/16/50/948501650.db2.gz WIPNIXGPQMMRLT-OAHLLOKOSA-N -1 3 380.364 0.707 20 0 GCADHM COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001305733658 948501652 /nfs/dbraw/zinc/50/16/52/948501652.db2.gz WIPNIXGPQMMRLT-OAHLLOKOSA-N -1 3 380.364 0.707 20 0 GCADHM C[C@H](C(=O)NCCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573719158 948521470 /nfs/dbraw/zinc/52/14/70/948521470.db2.gz KHHZZFPKACJBHY-LLVKDONJSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NCCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573719158 948521471 /nfs/dbraw/zinc/52/14/71/948521471.db2.gz KHHZZFPKACJBHY-LLVKDONJSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(F)F ZINC001573720145 948530870 /nfs/dbraw/zinc/53/08/70/948530870.db2.gz PCACFNCUIGAJOW-VIFPVBQESA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(F)F ZINC001573720145 948530875 /nfs/dbraw/zinc/53/08/75/948530875.db2.gz PCACFNCUIGAJOW-VIFPVBQESA-N -1 3 385.375 0.037 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573720725 948534150 /nfs/dbraw/zinc/53/41/50/948534150.db2.gz SJKUDXAHFJAXCT-SECBINFHSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573720725 948534156 /nfs/dbraw/zinc/53/41/56/948534156.db2.gz SJKUDXAHFJAXCT-SECBINFHSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573720726 948534609 /nfs/dbraw/zinc/53/46/09/948534609.db2.gz SJKUDXAHFJAXCT-VIFPVBQESA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573720726 948534612 /nfs/dbraw/zinc/53/46/12/948534612.db2.gz SJKUDXAHFJAXCT-VIFPVBQESA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573721580 948541923 /nfs/dbraw/zinc/54/19/23/948541923.db2.gz YQXIGVAPWZGGBV-VIFPVBQESA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573721580 948541929 /nfs/dbraw/zinc/54/19/29/948541929.db2.gz YQXIGVAPWZGGBV-VIFPVBQESA-N -1 3 385.375 0.037 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001539562869 948547776 /nfs/dbraw/zinc/54/77/76/948547776.db2.gz QDHSAYQSCGRUHH-UHFFFAOYSA-N -1 3 376.373 0.923 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001539562869 948547781 /nfs/dbraw/zinc/54/77/81/948547781.db2.gz QDHSAYQSCGRUHH-UHFFFAOYSA-N -1 3 376.373 0.923 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573726752 948552278 /nfs/dbraw/zinc/55/22/78/948552278.db2.gz JXSZCXKDQGYBHE-WZRBSPASSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573726752 948552285 /nfs/dbraw/zinc/55/22/85/948552285.db2.gz JXSZCXKDQGYBHE-WZRBSPASSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573728294 948558780 /nfs/dbraw/zinc/55/87/80/948558780.db2.gz CUUDEWRQMGDKHR-IMIFBBOLSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573728294 948558789 /nfs/dbraw/zinc/55/87/89/948558789.db2.gz CUUDEWRQMGDKHR-IMIFBBOLSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573728296 948560369 /nfs/dbraw/zinc/56/03/69/948560369.db2.gz CUUDEWRQMGDKHR-OXHZDVMGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573728296 948560377 /nfs/dbraw/zinc/56/03/77/948560377.db2.gz CUUDEWRQMGDKHR-OXHZDVMGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573729050 948564838 /nfs/dbraw/zinc/56/48/38/948564838.db2.gz FJFSWWKDHQHBOJ-OBJOEFQTSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573729050 948564849 /nfs/dbraw/zinc/56/48/49/948564849.db2.gz FJFSWWKDHQHBOJ-OBJOEFQTSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC001573731920 948598470 /nfs/dbraw/zinc/59/84/70/948598470.db2.gz ZPWYGBHKJIISDB-JTQLQIEISA-N -1 3 389.441 0.317 20 0 GCADHM C[C@@H](C(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573731920 948598478 /nfs/dbraw/zinc/59/84/78/948598478.db2.gz ZPWYGBHKJIISDB-JTQLQIEISA-N -1 3 389.441 0.317 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573732575 948604671 /nfs/dbraw/zinc/60/46/71/948604671.db2.gz RLUKBLCUXPCENN-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573732575 948604679 /nfs/dbraw/zinc/60/46/79/948604679.db2.gz RLUKBLCUXPCENN-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573732838 948609403 /nfs/dbraw/zinc/60/94/03/948609403.db2.gz ZFURJLPFTFKISK-NWDGAFQWSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573732838 948609408 /nfs/dbraw/zinc/60/94/08/948609408.db2.gz ZFURJLPFTFKISK-NWDGAFQWSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001573732839 948609789 /nfs/dbraw/zinc/60/97/89/948609789.db2.gz ZFURJLPFTFKISK-RYUDHWBXSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001573732839 948609793 /nfs/dbraw/zinc/60/97/93/948609793.db2.gz ZFURJLPFTFKISK-RYUDHWBXSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573736289 948614163 /nfs/dbraw/zinc/61/41/63/948614163.db2.gz OMCBEQDMHJHFSZ-IUODEOHRSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573736289 948614170 /nfs/dbraw/zinc/61/41/70/948614170.db2.gz OMCBEQDMHJHFSZ-IUODEOHRSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573736273 948614417 /nfs/dbraw/zinc/61/44/17/948614417.db2.gz MILGATJWZQCIRJ-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573736273 948614420 /nfs/dbraw/zinc/61/44/20/948614420.db2.gz MILGATJWZQCIRJ-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573736447 948616322 /nfs/dbraw/zinc/61/63/22/948616322.db2.gz UMQXTTDBIKOMKI-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573736447 948616326 /nfs/dbraw/zinc/61/63/26/948616326.db2.gz UMQXTTDBIKOMKI-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573736481 948616698 /nfs/dbraw/zinc/61/66/98/948616698.db2.gz XGWMHEHQMQFTTD-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573736481 948616703 /nfs/dbraw/zinc/61/67/03/948616703.db2.gz XGWMHEHQMQFTTD-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1O)C1CC1 ZINC001573740049 948627318 /nfs/dbraw/zinc/62/73/18/948627318.db2.gz KDSHNYMVIAMKHX-BZHVJNSISA-N -1 3 377.836 0.627 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1O)C1CC1 ZINC001573740049 948627322 /nfs/dbraw/zinc/62/73/22/948627322.db2.gz KDSHNYMVIAMKHX-BZHVJNSISA-N -1 3 377.836 0.627 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccnc1 ZINC001573740285 948631204 /nfs/dbraw/zinc/63/12/04/948631204.db2.gz HTPQRYSCUSQTFT-GLQYFDAESA-N -1 3 380.412 0.126 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccnc1 ZINC001573740285 948631209 /nfs/dbraw/zinc/63/12/09/948631209.db2.gz HTPQRYSCUSQTFT-GLQYFDAESA-N -1 3 380.412 0.126 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C)S(C)(=O)=O ZINC001573740263 948631265 /nfs/dbraw/zinc/63/12/65/948631265.db2.gz HKDZTJGHHSXTJM-TYNCELHUSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C)S(C)(=O)=O ZINC001573740763 948641830 /nfs/dbraw/zinc/64/18/30/948641830.db2.gz OMSIOSPPFYFKBW-LALPHHSUSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C)C(F)(F)F ZINC001573740941 948646765 /nfs/dbraw/zinc/64/67/65/948646765.db2.gz QVEUTFZSTHFCEK-VHSKPIJISA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C)C(F)(F)F ZINC001573740941 948646770 /nfs/dbraw/zinc/64/67/70/948646770.db2.gz QVEUTFZSTHFCEK-VHSKPIJISA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C1CCCC1 ZINC001573741040 948648847 /nfs/dbraw/zinc/64/88/47/948648847.db2.gz RMCWTKWJRBXXEK-VCTAVGKDSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C1CCCC1 ZINC001573741040 948648853 /nfs/dbraw/zinc/64/88/53/948648853.db2.gz RMCWTKWJRBXXEK-VCTAVGKDSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C)n1cccn1 ZINC001573741554 948655983 /nfs/dbraw/zinc/65/59/83/948655983.db2.gz ZEKGFQRSCCZBJG-JTNHKYCSSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C)n1cccn1 ZINC001573741554 948655986 /nfs/dbraw/zinc/65/59/86/948655986.db2.gz ZEKGFQRSCCZBJG-JTNHKYCSSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C)n1cccn1 ZINC001573742368 948661299 /nfs/dbraw/zinc/66/12/99/948661299.db2.gz LKVKQPSCRICIPS-MDZLAQPJSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C)n1cccn1 ZINC001573742368 948661305 /nfs/dbraw/zinc/66/13/05/948661305.db2.gz LKVKQPSCRICIPS-MDZLAQPJSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573742363 948661444 /nfs/dbraw/zinc/66/14/44/948661444.db2.gz LJZGPMGSEDIYJU-GWCFXTLKSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573742363 948661448 /nfs/dbraw/zinc/66/14/48/948661448.db2.gz LJZGPMGSEDIYJU-GWCFXTLKSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573742570 948662496 /nfs/dbraw/zinc/66/24/96/948662496.db2.gz MIVGCLOGLZOEGO-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573742570 948662499 /nfs/dbraw/zinc/66/24/99/948662499.db2.gz MIVGCLOGLZOEGO-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573742932 948664436 /nfs/dbraw/zinc/66/44/36/948664436.db2.gz UMQXTTDBIKOMKI-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573742932 948664441 /nfs/dbraw/zinc/66/44/41/948664441.db2.gz UMQXTTDBIKOMKI-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573743112 948665970 /nfs/dbraw/zinc/66/59/70/948665970.db2.gz XGWMHEHQMQFTTD-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573743112 948665974 /nfs/dbraw/zinc/66/59/74/948665974.db2.gz XGWMHEHQMQFTTD-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573745902 948675852 /nfs/dbraw/zinc/67/58/52/948675852.db2.gz GQXXUAPQRWJQMA-SRVKXCTJSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573745902 948675861 /nfs/dbraw/zinc/67/58/61/948675861.db2.gz GQXXUAPQRWJQMA-SRVKXCTJSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573746089 948678984 /nfs/dbraw/zinc/67/89/84/948678984.db2.gz JDLRVDDQUWBGHN-TVYUQYBPSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573746089 948678987 /nfs/dbraw/zinc/67/89/87/948678987.db2.gz JDLRVDDQUWBGHN-TVYUQYBPSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573746099 948679391 /nfs/dbraw/zinc/67/93/91/948679391.db2.gz IUHUUXAHLLNFTJ-JLLWLGSASA-N -1 3 381.400 0.166 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573746099 948679395 /nfs/dbraw/zinc/67/93/95/948679395.db2.gz IUHUUXAHLLNFTJ-JLLWLGSASA-N -1 3 381.400 0.166 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573746367 948680953 /nfs/dbraw/zinc/68/09/53/948680953.db2.gz JCKDFBBWKQVWIX-OASPWFOLSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573746367 948680957 /nfs/dbraw/zinc/68/09/57/948680957.db2.gz JCKDFBBWKQVWIX-OASPWFOLSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573748801 948696344 /nfs/dbraw/zinc/69/63/44/948696344.db2.gz VCVURBADSBQMGW-LPEHRKFASA-N -1 3 382.421 0.498 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573748801 948696349 /nfs/dbraw/zinc/69/63/49/948696349.db2.gz VCVURBADSBQMGW-LPEHRKFASA-N -1 3 382.421 0.498 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573748862 948697841 /nfs/dbraw/zinc/69/78/41/948697841.db2.gz VUVNKYPDSWNLKA-LERXQTSPSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573748862 948697847 /nfs/dbraw/zinc/69/78/47/948697847.db2.gz VUVNKYPDSWNLKA-LERXQTSPSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)[C@@H]1CCC(=O)N1 ZINC001573749344 948699840 /nfs/dbraw/zinc/69/98/40/948699840.db2.gz YOAZXZLOBGBDJR-MGAJZRQESA-N -1 3 388.407 0.375 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)[C@@H]1CCC(=O)N1 ZINC001573749344 948699844 /nfs/dbraw/zinc/69/98/44/948699844.db2.gz YOAZXZLOBGBDJR-MGAJZRQESA-N -1 3 388.407 0.375 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)C(C)(F)F ZINC001573753984 948723592 /nfs/dbraw/zinc/72/35/92/948723592.db2.gz YZGBUODTUSJLNJ-XBWDGYHZSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)C(C)(F)F ZINC001573753984 948723603 /nfs/dbraw/zinc/72/36/03/948723603.db2.gz YZGBUODTUSJLNJ-XBWDGYHZSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@H](C(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1)S(C)(=O)=O ZINC001573754021 948724637 /nfs/dbraw/zinc/72/46/37/948724637.db2.gz AVAFHQWGTPMVAU-SNVBAGLBSA-N -1 3 375.414 0.483 20 0 GCADHM C[C@@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573754342 948741471 /nfs/dbraw/zinc/74/14/71/948741471.db2.gz FDTAXGAPFSOMOW-QMMMGPOBSA-N -1 3 387.429 0.093 20 0 GCADHM C[C@@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573754342 948741482 /nfs/dbraw/zinc/74/14/82/948741482.db2.gz FDTAXGAPFSOMOW-QMMMGPOBSA-N -1 3 387.429 0.093 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)nc1 ZINC001574416611 948752645 /nfs/dbraw/zinc/75/26/45/948752645.db2.gz ZOWCYEZDRKVXCY-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)nc1 ZINC001574416611 948752658 /nfs/dbraw/zinc/75/26/58/948752658.db2.gz ZOWCYEZDRKVXCY-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001574416578 948753437 /nfs/dbraw/zinc/75/34/37/948753437.db2.gz YONWMPGXXLMAGB-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)c1ccc(C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001574416578 948753447 /nfs/dbraw/zinc/75/34/47/948753447.db2.gz YONWMPGXXLMAGB-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM C[C@@H](CNC(=O)CCc1cccnc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574914823 948757761 /nfs/dbraw/zinc/75/77/61/948757761.db2.gz NNNCULPLWUJTPM-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@@H](CNC(=O)CCc1cccnc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574914823 948757773 /nfs/dbraw/zinc/75/77/73/948757773.db2.gz NNNCULPLWUJTPM-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@H](CNC(=O)CCc1cccnc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574914822 948758567 /nfs/dbraw/zinc/75/85/67/948758567.db2.gz NNNCULPLWUJTPM-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@H](CNC(=O)CCc1cccnc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574914822 948758571 /nfs/dbraw/zinc/75/85/71/948758571.db2.gz NNNCULPLWUJTPM-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001574079112 948764682 /nfs/dbraw/zinc/76/46/82/948764682.db2.gz ABYGTDFJOUGZAK-AAEUAGOBSA-N -1 3 381.387 0.716 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001574079112 948764692 /nfs/dbraw/zinc/76/46/92/948764692.db2.gz ABYGTDFJOUGZAK-AAEUAGOBSA-N -1 3 381.387 0.716 20 0 GCADHM C[C@H](CNC(=O)CCc1ccccn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574915387 948765236 /nfs/dbraw/zinc/76/52/36/948765236.db2.gz SFHWYQTUVCOEAG-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@H](CNC(=O)CCc1ccccn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574915387 948765251 /nfs/dbraw/zinc/76/52/51/948765251.db2.gz SFHWYQTUVCOEAG-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574079720 948778650 /nfs/dbraw/zinc/77/86/50/948778650.db2.gz GBUOKORUEZMPDU-GWCFXTLKSA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574079720 948778663 /nfs/dbraw/zinc/77/86/63/948778663.db2.gz GBUOKORUEZMPDU-GWCFXTLKSA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1 ZINC001574080170 948786297 /nfs/dbraw/zinc/78/62/97/948786297.db2.gz IWMORIHKNAEXLJ-OCCSQVGLSA-N -1 3 377.424 0.967 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1 ZINC001574080170 948786314 /nfs/dbraw/zinc/78/63/14/948786314.db2.gz IWMORIHKNAEXLJ-OCCSQVGLSA-N -1 3 377.424 0.967 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679952 948795803 /nfs/dbraw/zinc/79/58/03/948795803.db2.gz CMXICQMKPQXQKL-GFCCVEGCSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679952 948795812 /nfs/dbraw/zinc/79/58/12/948795812.db2.gz CMXICQMKPQXQKL-GFCCVEGCSA-N -1 3 384.448 0.984 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574917053 948801894 /nfs/dbraw/zinc/80/18/94/948801894.db2.gz PTHASYZMOUGSHV-LLVKDONJSA-N -1 3 385.407 0.988 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574917053 948801909 /nfs/dbraw/zinc/80/19/09/948801909.db2.gz PTHASYZMOUGSHV-LLVKDONJSA-N -1 3 385.407 0.988 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573756206 948803108 /nfs/dbraw/zinc/80/31/08/948803108.db2.gz NXBJFISUCRSBEH-LLVKDONJSA-N -1 3 380.412 0.636 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573756206 948803123 /nfs/dbraw/zinc/80/31/23/948803123.db2.gz NXBJFISUCRSBEH-LLVKDONJSA-N -1 3 380.412 0.636 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574421023 948811661 /nfs/dbraw/zinc/81/16/61/948811661.db2.gz DGQYJEYZVPHIQW-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574421023 948811681 /nfs/dbraw/zinc/81/16/81/948811681.db2.gz DGQYJEYZVPHIQW-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)c1cnn(C)c1 ZINC001573756358 948811641 /nfs/dbraw/zinc/81/16/41/948811641.db2.gz PEIZELHIPCHFDB-BSLXNSKLSA-N -1 3 379.428 0.350 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)c1cnn(C)c1 ZINC001573756358 948811658 /nfs/dbraw/zinc/81/16/58/948811658.db2.gz PEIZELHIPCHFDB-BSLXNSKLSA-N -1 3 379.428 0.350 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncn1C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917227 948816962 /nfs/dbraw/zinc/81/69/62/948816962.db2.gz UTNGSOYDEIPWST-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncn1C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917227 948816977 /nfs/dbraw/zinc/81/69/77/948816977.db2.gz UTNGSOYDEIPWST-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)[C@@H]1CCCO1 ZINC001573756870 948822809 /nfs/dbraw/zinc/82/28/09/948822809.db2.gz UWDKZUIAPOJNNU-FWTMIXAASA-N -1 3 387.419 0.767 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)[C@@H]1CCCO1 ZINC001573756870 948822819 /nfs/dbraw/zinc/82/28/19/948822819.db2.gz UWDKZUIAPOJNNU-FWTMIXAASA-N -1 3 387.419 0.767 20 0 GCADHM CC(C)[C@@H](O)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574081229 948824382 /nfs/dbraw/zinc/82/43/82/948824382.db2.gz YSYJIVHURZQYHK-AWEZNQCLSA-N -1 3 381.458 0.305 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574081363 948826628 /nfs/dbraw/zinc/82/66/28/948826628.db2.gz SKTZMYSHGBIGLS-OAHLLOKOSA-N -1 3 376.440 0.494 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574081363 948826650 /nfs/dbraw/zinc/82/66/50/948826650.db2.gz SKTZMYSHGBIGLS-OAHLLOKOSA-N -1 3 376.440 0.494 20 0 GCADHM CC(F)(F)CC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575229140 948836234 /nfs/dbraw/zinc/83/62/34/948836234.db2.gz CKCPQJIOVCVMAL-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575229140 948836247 /nfs/dbraw/zinc/83/62/47/948836247.db2.gz CKCPQJIOVCVMAL-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)F ZINC001573761143 948837567 /nfs/dbraw/zinc/83/75/67/948837567.db2.gz DQZHSFDNCPNVTH-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)F ZINC001573761143 948837574 /nfs/dbraw/zinc/83/75/74/948837574.db2.gz DQZHSFDNCPNVTH-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccnc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574918249 948839270 /nfs/dbraw/zinc/83/92/70/948839270.db2.gz HRYOQSXZJNJCCZ-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccnc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574918249 948839289 /nfs/dbraw/zinc/83/92/89/948839289.db2.gz HRYOQSXZJNJCCZ-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)F ZINC001573761398 948839825 /nfs/dbraw/zinc/83/98/25/948839825.db2.gz IGNLJNDGZDLIGK-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)F ZINC001573761398 948839842 /nfs/dbraw/zinc/83/98/42/948839842.db2.gz IGNLJNDGZDLIGK-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574918473 948845570 /nfs/dbraw/zinc/84/55/70/948845570.db2.gz KWJSFFDWVYCJHM-CYBMUJFWSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574918473 948845591 /nfs/dbraw/zinc/84/55/91/948845591.db2.gz KWJSFFDWVYCJHM-CYBMUJFWSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@@H](CNC(=O)CCCN1C(=O)CCC1=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574918558 948848465 /nfs/dbraw/zinc/84/84/65/948848465.db2.gz NKYCWGXTUJBYRK-NSHDSACASA-N -1 3 386.416 0.108 20 0 GCADHM C[C@@H](CNC(=O)CCCN1C(=O)CCC1=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574918558 948848482 /nfs/dbraw/zinc/84/84/82/948848482.db2.gz NKYCWGXTUJBYRK-NSHDSACASA-N -1 3 386.416 0.108 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CC1 ZINC001574082108 948848854 /nfs/dbraw/zinc/84/88/54/948848854.db2.gz AKHKGBXFAHHITC-RISCZKNCSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CC1 ZINC001574082108 948848867 /nfs/dbraw/zinc/84/88/67/948848867.db2.gz AKHKGBXFAHHITC-RISCZKNCSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574684075 948853325 /nfs/dbraw/zinc/85/33/25/948853325.db2.gz BCHNSLLVEUTLFG-QMMMGPOBSA-N -1 3 391.823 0.975 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574918760 948860247 /nfs/dbraw/zinc/86/02/47/948860247.db2.gz PUVOYEXBICZETC-LBPRGKRZSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574918760 948860268 /nfs/dbraw/zinc/86/02/68/948860268.db2.gz PUVOYEXBICZETC-LBPRGKRZSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574918759 948861733 /nfs/dbraw/zinc/86/17/33/948861733.db2.gz PUVOYEXBICZETC-GFCCVEGCSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574918759 948861743 /nfs/dbraw/zinc/86/17/43/948861743.db2.gz PUVOYEXBICZETC-GFCCVEGCSA-N -1 3 385.432 0.354 20 0 GCADHM CC(C)c1cnc(CNC[C@@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001574424771 948863390 /nfs/dbraw/zinc/86/33/90/948863390.db2.gz UWWPBGCEMWZXRQ-GFCCVEGCSA-N -1 3 388.432 0.529 20 0 GCADHM CC(C)c1cnc(CNC[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001574424771 948863408 /nfs/dbraw/zinc/86/34/08/948863408.db2.gz UWWPBGCEMWZXRQ-GFCCVEGCSA-N -1 3 388.432 0.529 20 0 GCADHM CC(C)c1cnc(CNC[C@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001574424772 948864971 /nfs/dbraw/zinc/86/49/71/948864971.db2.gz UWWPBGCEMWZXRQ-LBPRGKRZSA-N -1 3 388.432 0.529 20 0 GCADHM CC(C)c1cnc(CNC[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001574424772 948864985 /nfs/dbraw/zinc/86/49/85/948864985.db2.gz UWWPBGCEMWZXRQ-LBPRGKRZSA-N -1 3 388.432 0.529 20 0 GCADHM CC(C)c1nc(CN[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)no1 ZINC001574425169 948868443 /nfs/dbraw/zinc/86/84/43/948868443.db2.gz AKVKMRMCQUXABI-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)no1 ZINC001574425169 948868465 /nfs/dbraw/zinc/86/84/65/948868465.db2.gz AKVKMRMCQUXABI-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)no1 ZINC001574425193 948869117 /nfs/dbraw/zinc/86/91/17/948869117.db2.gz ARBRYZCKNFHJLS-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)no1 ZINC001574425193 948869126 /nfs/dbraw/zinc/86/91/26/948869126.db2.gz ARBRYZCKNFHJLS-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(F)(F)CC(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575231950 948869677 /nfs/dbraw/zinc/86/96/77/948869677.db2.gz BKQGUBBRYWERMY-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(F)(F)CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001575231950 948869696 /nfs/dbraw/zinc/86/96/96/948869696.db2.gz BKQGUBBRYWERMY-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001574082991 948871316 /nfs/dbraw/zinc/87/13/16/948871316.db2.gz NAOKRTZOJXQBKL-OAHLLOKOSA-N -1 3 398.427 0.129 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001574082991 948871325 /nfs/dbraw/zinc/87/13/25/948871325.db2.gz NAOKRTZOJXQBKL-OAHLLOKOSA-N -1 3 398.427 0.129 20 0 GCADHM CC(C)C1(C(=O)N2CC(CCO)(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001574083038 948873062 /nfs/dbraw/zinc/87/30/62/948873062.db2.gz OIEUQRUJTXZRNM-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)C1(C(=O)N2CC(CCO)(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001574083038 948873076 /nfs/dbraw/zinc/87/30/76/948873076.db2.gz OIEUQRUJTXZRNM-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccnc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574919212 948873904 /nfs/dbraw/zinc/87/39/04/948873904.db2.gz WSEVYFFJDSEOSB-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccnc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574919212 948873920 /nfs/dbraw/zinc/87/39/20/948873920.db2.gz WSEVYFFJDSEOSB-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1cc(=O)[nH]c(=O)[nH]1 ZINC001574082988 948874565 /nfs/dbraw/zinc/87/45/65/948874565.db2.gz MXESSBJWSQJSDK-AWEZNQCLSA-N -1 3 385.384 0.788 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1cc(=O)[nH]c(=O)[nH]1 ZINC001574082988 948874578 /nfs/dbraw/zinc/87/45/78/948874578.db2.gz MXESSBJWSQJSDK-AWEZNQCLSA-N -1 3 385.384 0.788 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](O)c1ccnn1C ZINC001574083168 948875340 /nfs/dbraw/zinc/87/53/40/948875340.db2.gz PEJWHFKHCQXBMV-GDBMZVCRSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](O)c1ccnn1C ZINC001574083168 948875356 /nfs/dbraw/zinc/87/53/56/948875356.db2.gz PEJWHFKHCQXBMV-GDBMZVCRSA-N -1 3 385.428 0.853 20 0 GCADHM C[C@H](CNC(=O)CCc1nnc[nH]1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574920025 948880040 /nfs/dbraw/zinc/88/00/40/948880040.db2.gz AMPQGDLPVBXZEV-ZCFIWIBFSA-N -1 3 382.841 0.644 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)CCNc1ncc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC001574684727 948880989 /nfs/dbraw/zinc/88/09/89/948880989.db2.gz LSXACGFYEIIFTM-DTWKUNHWSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)CCNc1ncc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC001574684727 948881005 /nfs/dbraw/zinc/88/10/05/948881005.db2.gz LSXACGFYEIIFTM-DTWKUNHWSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001574684729 948884325 /nfs/dbraw/zinc/88/43/25/948884325.db2.gz LSXACGFYEIIFTM-RKDXNWHRSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001574684729 948884348 /nfs/dbraw/zinc/88/43/48/948884348.db2.gz LSXACGFYEIIFTM-RKDXNWHRSA-N -1 3 385.425 0.141 20 0 GCADHM CC(C)c1nnc(CN2CC[C@](C)(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]1 ZINC001574425802 948884565 /nfs/dbraw/zinc/88/45/65/948884565.db2.gz NTHLIEWRIBFBDL-KRWDZBQOSA-N -1 3 384.448 0.831 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920089 948885665 /nfs/dbraw/zinc/88/56/65/948885665.db2.gz BZRKIYFPCKSJRC-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920089 948885690 /nfs/dbraw/zinc/88/56/90/948885690.db2.gz BZRKIYFPCKSJRC-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574684757 948886853 /nfs/dbraw/zinc/88/68/53/948886853.db2.gz MBBBMMYHUZPKRK-BTDLBPIBSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574684757 948886867 /nfs/dbraw/zinc/88/68/67/948886867.db2.gz MBBBMMYHUZPKRK-BTDLBPIBSA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573764644 948889073 /nfs/dbraw/zinc/88/90/73/948889073.db2.gz PGSAVMGIVJLCHL-SNVBAGLBSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573764644 948889090 /nfs/dbraw/zinc/88/90/90/948889090.db2.gz PGSAVMGIVJLCHL-SNVBAGLBSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920162 948892387 /nfs/dbraw/zinc/89/23/87/948892387.db2.gz DVEIDBNAQHPMMV-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920162 948892398 /nfs/dbraw/zinc/89/23/98/948892398.db2.gz DVEIDBNAQHPMMV-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnc[nH]1 ZINC001573764906 948893027 /nfs/dbraw/zinc/89/30/27/948893027.db2.gz RHVASEYIDNHHIO-LLVKDONJSA-N -1 3 383.416 0.226 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CO)[C@H]1CCOC1 ZINC001574083830 948893799 /nfs/dbraw/zinc/89/37/99/948893799.db2.gz YQQXWYUEDNIQOY-BJJXKVORSA-N -1 3 375.429 0.784 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CO)[C@H]1CCOC1 ZINC001574083830 948893807 /nfs/dbraw/zinc/89/38/07/948893807.db2.gz YQQXWYUEDNIQOY-BJJXKVORSA-N -1 3 375.429 0.784 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574684957 948895364 /nfs/dbraw/zinc/89/53/64/948895364.db2.gz PPIJEYBFFDBENQ-ONGXEEELSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574684957 948895381 /nfs/dbraw/zinc/89/53/81/948895381.db2.gz PPIJEYBFFDBENQ-ONGXEEELSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1COC(=O)N1 ZINC001574684943 948895988 /nfs/dbraw/zinc/89/59/88/948895988.db2.gz PMNKVCMOUXJRRR-OIBJUYFYSA-N -1 3 380.796 0.330 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1COC(=O)N1 ZINC001574684943 948896005 /nfs/dbraw/zinc/89/60/05/948896005.db2.gz PMNKVCMOUXJRRR-OIBJUYFYSA-N -1 3 380.796 0.330 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920274 948896112 /nfs/dbraw/zinc/89/61/12/948896112.db2.gz HJPSZPQJTLLXGD-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920274 948896124 /nfs/dbraw/zinc/89/61/24/948896124.db2.gz HJPSZPQJTLLXGD-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574684953 948896605 /nfs/dbraw/zinc/89/66/05/948896605.db2.gz PPGRLWCEKPVDQF-SFGNSQDASA-N -1 3 378.824 0.343 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574684953 948896622 /nfs/dbraw/zinc/89/66/22/948896622.db2.gz PPGRLWCEKPVDQF-SFGNSQDASA-N -1 3 378.824 0.343 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H](C)CC(N)=O ZINC001574684925 948897791 /nfs/dbraw/zinc/89/77/91/948897791.db2.gz PFTLODNPQCPNRR-DTWKUNHWSA-N -1 3 380.840 0.733 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H](C)CC(N)=O ZINC001574684925 948897805 /nfs/dbraw/zinc/89/78/05/948897805.db2.gz PFTLODNPQCPNRR-DTWKUNHWSA-N -1 3 380.840 0.733 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574684950 948898234 /nfs/dbraw/zinc/89/82/34/948898234.db2.gz PNVXRBDRTFHMJY-QWRGUYRKSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574684950 948898248 /nfs/dbraw/zinc/89/82/48/948898248.db2.gz PNVXRBDRTFHMJY-QWRGUYRKSA-N -1 3 390.423 0.576 20 0 GCADHM CC(C)c1nccc(NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574427395 948902646 /nfs/dbraw/zinc/90/26/46/948902646.db2.gz DVEAEPWISYKKKF-UHFFFAOYSA-N -1 3 385.432 0.655 20 0 GCADHM CC(C)c1nccc(NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574427395 948902657 /nfs/dbraw/zinc/90/26/57/948902657.db2.gz DVEAEPWISYKKKF-UHFFFAOYSA-N -1 3 385.432 0.655 20 0 GCADHM C[C@H](CNC(=O)CCc1nccs1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920401 948902959 /nfs/dbraw/zinc/90/29/59/948902959.db2.gz KEKFLWXKSRDCHJ-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1nccs1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920401 948902974 /nfs/dbraw/zinc/90/29/74/948902974.db2.gz KEKFLWXKSRDCHJ-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920426 948903187 /nfs/dbraw/zinc/90/31/87/948903187.db2.gz KZEMXGPXZQMADV-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920426 948903196 /nfs/dbraw/zinc/90/31/96/948903196.db2.gz KZEMXGPXZQMADV-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)(C(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1cnc[nH]1 ZINC001573765465 948909793 /nfs/dbraw/zinc/90/97/93/948909793.db2.gz IETODCLXBOFZSU-UHFFFAOYSA-N -1 3 382.432 0.396 20 0 GCADHM CC(C)(C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1cnc[nH]1 ZINC001573765465 948909806 /nfs/dbraw/zinc/90/98/06/948909806.db2.gz IETODCLXBOFZSU-UHFFFAOYSA-N -1 3 382.432 0.396 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574920840 948911058 /nfs/dbraw/zinc/91/10/58/948911058.db2.gz PLFIWEQVHVLFKU-NSHDSACASA-N -1 3 387.423 0.708 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574920840 948911069 /nfs/dbraw/zinc/91/10/69/948911069.db2.gz PLFIWEQVHVLFKU-NSHDSACASA-N -1 3 387.423 0.708 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574685606 948911269 /nfs/dbraw/zinc/91/12/69/948911269.db2.gz XVZILNWHGUQIHZ-GXSJLCMTSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574685606 948911286 /nfs/dbraw/zinc/91/12/86/948911286.db2.gz XVZILNWHGUQIHZ-GXSJLCMTSA-N -1 3 392.851 0.700 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574088231 948913457 /nfs/dbraw/zinc/91/34/57/948913457.db2.gz DWGNQGPCUZUVAS-YVEFUNNKSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574088231 948913476 /nfs/dbraw/zinc/91/34/76/948913476.db2.gz DWGNQGPCUZUVAS-YVEFUNNKSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574088228 948913905 /nfs/dbraw/zinc/91/39/05/948913905.db2.gz DWGNQGPCUZUVAS-PXAZEXFGSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574088228 948913918 /nfs/dbraw/zinc/91/39/18/948913918.db2.gz DWGNQGPCUZUVAS-PXAZEXFGSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1cn(C)nn1 ZINC001574685636 948916194 /nfs/dbraw/zinc/91/61/94/948916194.db2.gz YHAGCIKFZIERAX-MRVPVSSYSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1cn(C)nn1 ZINC001574685636 948916204 /nfs/dbraw/zinc/91/62/04/948916204.db2.gz YHAGCIKFZIERAX-MRVPVSSYSA-N -1 3 376.812 0.664 20 0 GCADHM CC(C)c1nccc(NC[C@H](O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574427948 948917010 /nfs/dbraw/zinc/91/70/10/948917010.db2.gz VBXYQBHFRHTAQO-NSHDSACASA-N -1 3 385.432 0.653 20 0 GCADHM CC(C)c1nccc(NC[C@H](O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574427948 948917024 /nfs/dbraw/zinc/91/70/24/948917024.db2.gz VBXYQBHFRHTAQO-NSHDSACASA-N -1 3 385.432 0.653 20 0 GCADHM CC(C)(C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573765571 948917653 /nfs/dbraw/zinc/91/76/53/948917653.db2.gz OMAZXNOXWTZUIN-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573765571 948917664 /nfs/dbraw/zinc/91/76/64/948917664.db2.gz OMAZXNOXWTZUIN-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cnc[nH]1 ZINC001573765698 948919198 /nfs/dbraw/zinc/91/91/98/948919198.db2.gz YYDRSAWRQDQOID-UHFFFAOYSA-N -1 3 383.416 0.180 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1CCCNC1=O ZINC001574685712 948919728 /nfs/dbraw/zinc/91/97/28/948919728.db2.gz AEGRHTDGOMJWRS-SNVBAGLBSA-N -1 3 391.411 0.123 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1CCCNC1=O ZINC001574685712 948919737 /nfs/dbraw/zinc/91/97/37/948919737.db2.gz AEGRHTDGOMJWRS-SNVBAGLBSA-N -1 3 391.411 0.123 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1ccccc1=O ZINC001574685855 948921972 /nfs/dbraw/zinc/92/19/72/948921972.db2.gz BMKGNIQUXHBGLZ-CYBMUJFWSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1ccccc1=O ZINC001574685855 948921983 /nfs/dbraw/zinc/92/19/83/948921983.db2.gz BMKGNIQUXHBGLZ-CYBMUJFWSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574685992 948924405 /nfs/dbraw/zinc/92/44/05/948924405.db2.gz CWDILCHKOSQJBC-PWSUYJOCSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574685992 948924420 /nfs/dbraw/zinc/92/44/20/948924420.db2.gz CWDILCHKOSQJBC-PWSUYJOCSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cccn(C)c1=O ZINC001574685981 948925708 /nfs/dbraw/zinc/92/57/08/948925708.db2.gz CMOJSLHRFPGTRO-SNVBAGLBSA-N -1 3 386.391 0.720 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cccn(C)c1=O ZINC001574685981 948925720 /nfs/dbraw/zinc/92/57/20/948925720.db2.gz CMOJSLHRFPGTRO-SNVBAGLBSA-N -1 3 386.391 0.720 20 0 GCADHM CC(C)c1ncncc1C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574432468 948931555 /nfs/dbraw/zinc/93/15/55/948931555.db2.gz KFVHICYJBCDOGC-UHFFFAOYSA-N -1 3 381.400 0.363 20 0 GCADHM CC(C)c1ncncc1C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574432468 948931568 /nfs/dbraw/zinc/93/15/68/948931568.db2.gz KFVHICYJBCDOGC-UHFFFAOYSA-N -1 3 381.400 0.363 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001574686367 948931622 /nfs/dbraw/zinc/93/16/22/948931622.db2.gz HMYRGVDAGWVPMN-JQWIXIFHSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001574686367 948931640 /nfs/dbraw/zinc/93/16/40/948931640.db2.gz HMYRGVDAGWVPMN-JQWIXIFHSA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)c1nccn1CC(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574432465 948932401 /nfs/dbraw/zinc/93/24/01/948932401.db2.gz KCJOYIHKSCERPW-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM CC(C)c1nccn1CC(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574432465 948932409 /nfs/dbraw/zinc/93/24/09/948932409.db2.gz KCJOYIHKSCERPW-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM C[C@H](CNC(=O)CCn1cnccc1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574923093 948933779 /nfs/dbraw/zinc/93/37/79/948933779.db2.gz DHEQJHCRDCTJCD-LLVKDONJSA-N -1 3 386.391 0.569 20 0 GCADHM C[C@H](CNC(=O)CCn1cnccc1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574923093 948933785 /nfs/dbraw/zinc/93/37/85/948933785.db2.gz DHEQJHCRDCTJCD-LLVKDONJSA-N -1 3 386.391 0.569 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1coc(C(N)=O)c1 ZINC001574686547 948933878 /nfs/dbraw/zinc/93/38/78/948933878.db2.gz JICOBNJNKLWTIL-QMMMGPOBSA-N -1 3 388.363 0.713 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1coc(C(N)=O)c1 ZINC001574686547 948933886 /nfs/dbraw/zinc/93/38/86/948933886.db2.gz JICOBNJNKLWTIL-QMMMGPOBSA-N -1 3 388.363 0.713 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN(C)C(=O)C1CC1 ZINC001574686552 948934033 /nfs/dbraw/zinc/93/40/33/948934033.db2.gz JJTPCZBRNQQSBU-JTQLQIEISA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN(C)C(=O)C1CC1 ZINC001574686552 948934045 /nfs/dbraw/zinc/93/40/45/948934045.db2.gz JJTPCZBRNQQSBU-JTQLQIEISA-N -1 3 390.423 0.576 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574432474 948935179 /nfs/dbraw/zinc/93/51/79/948935179.db2.gz KJZPFECWHAPZIW-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574432474 948935186 /nfs/dbraw/zinc/93/51/86/948935186.db2.gz KJZPFECWHAPZIW-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCc1cnn(C)n1 ZINC001574686607 948937576 /nfs/dbraw/zinc/93/75/76/948937576.db2.gz KHRTWVKANHZMBU-SNVBAGLBSA-N -1 3 388.411 0.469 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCc1cnn(C)n1 ZINC001574686607 948937587 /nfs/dbraw/zinc/93/75/87/948937587.db2.gz KHRTWVKANHZMBU-SNVBAGLBSA-N -1 3 388.411 0.469 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1CCCC1=O ZINC001574686634 948938190 /nfs/dbraw/zinc/93/81/90/948938190.db2.gz KQJRQVHLONBVHV-JTQLQIEISA-N -1 3 376.396 0.330 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1CCCC1=O ZINC001574686634 948938201 /nfs/dbraw/zinc/93/82/01/948938201.db2.gz KQJRQVHLONBVHV-JTQLQIEISA-N -1 3 376.396 0.330 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CNC(=O)N1CCCC1 ZINC001574686594 948939366 /nfs/dbraw/zinc/93/93/66/948939366.db2.gz KDBUUJANMVSVKE-GFCCVEGCSA-N -1 3 387.448 0.374 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CNC(=O)N1CCCC1 ZINC001574686594 948939378 /nfs/dbraw/zinc/93/93/78/948939378.db2.gz KDBUUJANMVSVKE-GFCCVEGCSA-N -1 3 387.448 0.374 20 0 GCADHM CC(C)(C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1c[nH]cn1 ZINC001573771471 948940825 /nfs/dbraw/zinc/94/08/25/948940825.db2.gz ILNCNSATOYXXHL-LBPRGKRZSA-N -1 3 382.432 0.664 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1CCOCC1 ZINC001574686788 948941882 /nfs/dbraw/zinc/94/18/82/948941882.db2.gz LQNHZTASFBOZEN-NSHDSACASA-N -1 3 378.412 0.040 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1CCOCC1 ZINC001574686788 948941890 /nfs/dbraw/zinc/94/18/90/948941890.db2.gz LQNHZTASFBOZEN-NSHDSACASA-N -1 3 378.412 0.040 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)COCc1ccnn1C ZINC001574686774 948941924 /nfs/dbraw/zinc/94/19/24/948941924.db2.gz LMLOVPQRGNOACB-LBPRGKRZSA-N -1 3 385.432 0.519 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)COCc1ccnn1C ZINC001574686774 948941938 /nfs/dbraw/zinc/94/19/38/948941938.db2.gz LMLOVPQRGNOACB-LBPRGKRZSA-N -1 3 385.432 0.519 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)COCc1nccn1C ZINC001574686776 948941961 /nfs/dbraw/zinc/94/19/61/948941961.db2.gz LOHVZRVUTFGKMJ-LBPRGKRZSA-N -1 3 385.432 0.519 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)COCc1nccn1C ZINC001574686776 948941978 /nfs/dbraw/zinc/94/19/78/948941978.db2.gz LOHVZRVUTFGKMJ-LBPRGKRZSA-N -1 3 385.432 0.519 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cn(C)c(=O)n1C ZINC001574687084 948945823 /nfs/dbraw/zinc/94/58/23/948945823.db2.gz MYMZHJLZHAEXEN-VIFPVBQESA-N -1 3 389.395 0.059 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cn(C)c(=O)n1C ZINC001574687084 948945837 /nfs/dbraw/zinc/94/58/37/948945837.db2.gz MYMZHJLZHAEXEN-VIFPVBQESA-N -1 3 389.395 0.059 20 0 GCADHM CC(C)c1nnc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001574433113 948945803 /nfs/dbraw/zinc/94/58/03/948945803.db2.gz HOKDZEFWWXLTLL-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001574433113 948945814 /nfs/dbraw/zinc/94/58/14/948945814.db2.gz HOKDZEFWWXLTLL-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ccc(=O)n(C)c1 ZINC001574687521 948952424 /nfs/dbraw/zinc/95/24/24/948952424.db2.gz PZRZBLWDUYRHPY-JTQLQIEISA-N -1 3 386.391 0.720 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ccc(=O)n(C)c1 ZINC001574687521 948952438 /nfs/dbraw/zinc/95/24/38/948952438.db2.gz PZRZBLWDUYRHPY-JTQLQIEISA-N -1 3 386.391 0.720 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574433336 948953652 /nfs/dbraw/zinc/95/36/52/948953652.db2.gz UVRGIJGNHKDJTR-UHFFFAOYSA-N -1 3 382.432 0.325 20 0 GCADHM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574923707 948956071 /nfs/dbraw/zinc/95/60/71/948956071.db2.gz RLXGIFDHYTZTEI-LBPRGKRZSA-N -1 3 383.416 0.073 20 0 GCADHM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574923707 948956083 /nfs/dbraw/zinc/95/60/83/948956083.db2.gz RLXGIFDHYTZTEI-LBPRGKRZSA-N -1 3 383.416 0.073 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573772325 948958260 /nfs/dbraw/zinc/95/82/60/948958260.db2.gz AESMOXOAWWZZGS-CQSZACIVSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573772325 948958268 /nfs/dbraw/zinc/95/82/68/948958268.db2.gz AESMOXOAWWZZGS-CQSZACIVSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574433588 948958934 /nfs/dbraw/zinc/95/89/34/948958934.db2.gz XTQRQKIAQIYMGS-JTQLQIEISA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574433588 948958945 /nfs/dbraw/zinc/95/89/45/948958945.db2.gz XTQRQKIAQIYMGS-JTQLQIEISA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433607 948960571 /nfs/dbraw/zinc/96/05/71/948960571.db2.gz YTGVGNCUBLMIMD-LBPRGKRZSA-N -1 3 382.432 0.112 20 0 GCADHM CC(C)c1nnc(CN2CC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001574433488 948960730 /nfs/dbraw/zinc/96/07/30/948960730.db2.gz OXPSKDUVFTZFIK-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1nnc(CN2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001574433488 948960738 /nfs/dbraw/zinc/96/07/38/948960738.db2.gz OXPSKDUVFTZFIK-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CC1OCCO1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573772545 948961121 /nfs/dbraw/zinc/96/11/21/948961121.db2.gz UPNNIAUTMXXDFH-ZDUSSCGKSA-N -1 3 379.392 0.524 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CC1OCCO1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573772545 948961135 /nfs/dbraw/zinc/96/11/35/948961135.db2.gz UPNNIAUTMXXDFH-ZDUSSCGKSA-N -1 3 379.392 0.524 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001574433653 948962438 /nfs/dbraw/zinc/96/24/38/948962438.db2.gz ZUERRYBVBYOYIL-CYBMUJFWSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001574433653 948962448 /nfs/dbraw/zinc/96/24/48/948962448.db2.gz ZUERRYBVBYOYIL-CYBMUJFWSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574089776 948966403 /nfs/dbraw/zinc/96/64/03/948966403.db2.gz KPGKZWNUWUZRMP-SJKOYZFVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574089776 948966416 /nfs/dbraw/zinc/96/64/16/948966416.db2.gz KPGKZWNUWUZRMP-SJKOYZFVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1c[nH]cn1 ZINC001573772831 948966570 /nfs/dbraw/zinc/96/65/70/948966570.db2.gz WVEOCDMEQSXUMC-NSHDSACASA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574089773 948967006 /nfs/dbraw/zinc/96/70/06/948967006.db2.gz KPGKZWNUWUZRMP-PXAZEXFGSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574089773 948967010 /nfs/dbraw/zinc/96/70/10/948967010.db2.gz KPGKZWNUWUZRMP-PXAZEXFGSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574089906 948969862 /nfs/dbraw/zinc/96/98/62/948969862.db2.gz JIVBGXGOIVXINR-HOTGVXAUSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574089906 948969872 /nfs/dbraw/zinc/96/98/72/948969872.db2.gz JIVBGXGOIVXINR-HOTGVXAUSA-N -1 3 384.488 0.792 20 0 GCADHM C[C@H](CNC(=O)CCn1ccnn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574924309 948970326 /nfs/dbraw/zinc/97/03/26/948970326.db2.gz ZGZFWGKBUIEINT-SNVBAGLBSA-N -1 3 390.839 0.538 20 0 GCADHM C[C@H](CNC(=O)CCn1ccnn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574924309 948970337 /nfs/dbraw/zinc/97/03/37/948970337.db2.gz ZGZFWGKBUIEINT-SNVBAGLBSA-N -1 3 390.839 0.538 20 0 GCADHM CC(C)(C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1c[nH]cn1 ZINC001573772921 948972744 /nfs/dbraw/zinc/97/27/44/948972744.db2.gz YMHNDBCOIXJQQA-UHFFFAOYSA-N -1 3 383.416 0.274 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCCO1 ZINC001573773075 948973511 /nfs/dbraw/zinc/97/35/11/948973511.db2.gz GDQGOIWXUNXHNY-AWEZNQCLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCCO1 ZINC001573773075 948973517 /nfs/dbraw/zinc/97/35/17/948973517.db2.gz GDQGOIWXUNXHNY-AWEZNQCLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)N1CCOCC1 ZINC001573773155 948975483 /nfs/dbraw/zinc/97/54/83/948975483.db2.gz IEFOPKLJJVFTLP-ZDUSSCGKSA-N -1 3 386.460 0.067 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)N1CCOCC1 ZINC001573773155 948975498 /nfs/dbraw/zinc/97/54/98/948975498.db2.gz IEFOPKLJJVFTLP-ZDUSSCGKSA-N -1 3 386.460 0.067 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574090349 948982523 /nfs/dbraw/zinc/98/25/23/948982523.db2.gz ITLRGAGLYKMMCH-OLZOCXBDSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574090349 948982536 /nfs/dbraw/zinc/98/25/36/948982536.db2.gz ITLRGAGLYKMMCH-OLZOCXBDSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nnc(CNC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001574434570 948984705 /nfs/dbraw/zinc/98/47/05/948984705.db2.gz KCBGRTNSRHGNAX-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)c1c[nH]cn1 ZINC001573773579 948985927 /nfs/dbraw/zinc/98/59/27/948985927.db2.gz MJGDLJUTIAXYMK-JTQLQIEISA-N -1 3 388.407 0.596 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)c1c[nH]cn1 ZINC001573773579 948985939 /nfs/dbraw/zinc/98/59/39/948985939.db2.gz MJGDLJUTIAXYMK-JTQLQIEISA-N -1 3 388.407 0.596 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574689524 948987831 /nfs/dbraw/zinc/98/78/31/948987831.db2.gz HZYZEQMNWWYBEK-UKTARXLSSA-N -1 3 387.444 0.620 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574689524 948987843 /nfs/dbraw/zinc/98/78/43/948987843.db2.gz HZYZEQMNWWYBEK-UKTARXLSSA-N -1 3 387.444 0.620 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574926140 948988037 /nfs/dbraw/zinc/98/80/37/948988037.db2.gz JFEJCLVSISOLPS-SECBINFHSA-N -1 3 378.824 0.454 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574926140 948988047 /nfs/dbraw/zinc/98/80/47/948988047.db2.gz JFEJCLVSISOLPS-SECBINFHSA-N -1 3 378.824 0.454 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1)C1CCOCC1 ZINC001573773668 948989234 /nfs/dbraw/zinc/98/92/34/948989234.db2.gz CVBFNPQHCQOKBB-ZDUSSCGKSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)C1CCOCC1 ZINC001573773668 948989239 /nfs/dbraw/zinc/98/92/39/948989239.db2.gz CVBFNPQHCQOKBB-ZDUSSCGKSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C1CC1 ZINC001573773619 948989622 /nfs/dbraw/zinc/98/96/22/948989622.db2.gz NRBHWXRTPQIDHW-KGLIPLIRSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C1CC1 ZINC001573773619 948989637 /nfs/dbraw/zinc/98/96/37/948989637.db2.gz NRBHWXRTPQIDHW-KGLIPLIRSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)c1nnc(CN[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)o1 ZINC001574435043 948991244 /nfs/dbraw/zinc/99/12/44/948991244.db2.gz QOLBDKQKHNUDRB-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)o1 ZINC001574435043 948991257 /nfs/dbraw/zinc/99/12/57/948991257.db2.gz QOLBDKQKHNUDRB-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574689925 948994019 /nfs/dbraw/zinc/99/40/19/948994019.db2.gz MANOEAKQOVVGOJ-LLVKDONJSA-N -1 3 383.416 0.861 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574689925 948994032 /nfs/dbraw/zinc/99/40/32/948994032.db2.gz MANOEAKQOVVGOJ-LLVKDONJSA-N -1 3 383.416 0.861 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573774001 948995505 /nfs/dbraw/zinc/99/55/05/948995505.db2.gz HUKJEXWEJBSGDL-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573774001 948995524 /nfs/dbraw/zinc/99/55/24/948995524.db2.gz HUKJEXWEJBSGDL-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)c1nnc(CNC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001574435696 948998111 /nfs/dbraw/zinc/99/81/11/948998111.db2.gz YHQFZTZIJAIWEG-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)n1 ZINC001574439466 949006978 /nfs/dbraw/zinc/00/69/78/949006978.db2.gz FKNHYRVARXOJLX-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)n1 ZINC001574439466 949006992 /nfs/dbraw/zinc/00/69/92/949006992.db2.gz FKNHYRVARXOJLX-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)n1 ZINC001574439465 949007499 /nfs/dbraw/zinc/00/74/99/949007499.db2.gz FKNHYRVARXOJLX-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)n1 ZINC001574439465 949007515 /nfs/dbraw/zinc/00/75/15/949007515.db2.gz FKNHYRVARXOJLX-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001575243962 949007756 /nfs/dbraw/zinc/00/77/56/949007756.db2.gz SSFLVBOWKCALKL-IWIIMEHWSA-N -1 3 379.371 0.817 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001575243962 949007770 /nfs/dbraw/zinc/00/77/70/949007770.db2.gz SSFLVBOWKCALKL-IWIIMEHWSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574926627 949012190 /nfs/dbraw/zinc/01/21/90/949012190.db2.gz BFOUKLWAPPSJAR-MRVPVSSYSA-N -1 3 378.824 0.358 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574926627 949012208 /nfs/dbraw/zinc/01/22/08/949012208.db2.gz BFOUKLWAPPSJAR-MRVPVSSYSA-N -1 3 378.824 0.358 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574926647 949012287 /nfs/dbraw/zinc/01/22/87/949012287.db2.gz BSBAYHBQTLYSRW-GFCCVEGCSA-N -1 3 388.476 0.978 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574926647 949012307 /nfs/dbraw/zinc/01/23/07/949012307.db2.gz BSBAYHBQTLYSRW-GFCCVEGCSA-N -1 3 388.476 0.978 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1 ZINC001574439566 949012670 /nfs/dbraw/zinc/01/26/70/949012670.db2.gz HNMPJQGDZDANOV-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1 ZINC001574439566 949012686 /nfs/dbraw/zinc/01/26/86/949012686.db2.gz HNMPJQGDZDANOV-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001574439806 949012771 /nfs/dbraw/zinc/01/27/71/949012771.db2.gz IZACTCYDZSBPLI-VIFPVBQESA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001574439806 949012790 /nfs/dbraw/zinc/01/27/90/949012790.db2.gz IZACTCYDZSBPLI-VIFPVBQESA-N -1 3 389.445 0.439 20 0 GCADHM C[C@@H](F)CCN1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nn[n-]n3)[nH]1)O2 ZINC001575244192 949014114 /nfs/dbraw/zinc/01/41/14/949014114.db2.gz XKNHUHGDBNBCKY-VXGBXAGGSA-N -1 3 377.424 0.906 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574926680 949017305 /nfs/dbraw/zinc/01/73/05/949017305.db2.gz UXLNOWRMYWFYHN-NSHDSACASA-N -1 3 375.408 0.569 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574926680 949017332 /nfs/dbraw/zinc/01/73/32/949017332.db2.gz UXLNOWRMYWFYHN-NSHDSACASA-N -1 3 375.408 0.569 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001574091495 949019266 /nfs/dbraw/zinc/01/92/66/949019266.db2.gz NURWDZDJDCVKPP-HOTGVXAUSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001574091495 949019289 /nfs/dbraw/zinc/01/92/89/949019289.db2.gz NURWDZDJDCVKPP-HOTGVXAUSA-N -1 3 388.447 0.961 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1noc2c1COCC2 ZINC001574691656 949024785 /nfs/dbraw/zinc/02/47/85/949024785.db2.gz YCXWIHQWZZBULK-SNVBAGLBSA-N -1 3 384.400 0.943 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1noc2c1COCC2 ZINC001574691656 949024805 /nfs/dbraw/zinc/02/48/05/949024805.db2.gz YCXWIHQWZZBULK-SNVBAGLBSA-N -1 3 384.400 0.943 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575245366 949026345 /nfs/dbraw/zinc/02/63/45/949026345.db2.gz AOQJBCREBXLDAJ-LLVKDONJSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575245366 949026329 /nfs/dbraw/zinc/02/63/29/949026329.db2.gz AOQJBCREBXLDAJ-LLVKDONJSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)n1 ZINC001574440543 949028476 /nfs/dbraw/zinc/02/84/76/949028476.db2.gz REVUCFFFLPUELQ-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)n1 ZINC001574440543 949028497 /nfs/dbraw/zinc/02/84/97/949028497.db2.gz REVUCFFFLPUELQ-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574440522 949029698 /nfs/dbraw/zinc/02/96/98/949029698.db2.gz QSORCCCYIXCFNU-SECBINFHSA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574440522 949029715 /nfs/dbraw/zinc/02/97/15/949029715.db2.gz QSORCCCYIXCFNU-SECBINFHSA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)n1 ZINC001574440541 949030016 /nfs/dbraw/zinc/03/00/16/949030016.db2.gz REVUCFFFLPUELQ-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)n1 ZINC001574440541 949030038 /nfs/dbraw/zinc/03/00/38/949030038.db2.gz REVUCFFFLPUELQ-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575503045 949035558 /nfs/dbraw/zinc/03/55/58/949035558.db2.gz NKNLATOFCQMWJR-OCCSQVGLSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575503045 949035580 /nfs/dbraw/zinc/03/55/80/949035580.db2.gz NKNLATOFCQMWJR-OCCSQVGLSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574926992 949035972 /nfs/dbraw/zinc/03/59/72/949035972.db2.gz FISPPPMTLSQXQH-JTQLQIEISA-N -1 3 386.441 0.670 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574926992 949035992 /nfs/dbraw/zinc/03/59/92/949035992.db2.gz FISPPPMTLSQXQH-JTQLQIEISA-N -1 3 386.441 0.670 20 0 GCADHM CC(C)c1noc(CN2CC([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574440805 949036351 /nfs/dbraw/zinc/03/63/51/949036351.db2.gz VGYFOOUFVQSHLP-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN2CC([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574440805 949036372 /nfs/dbraw/zinc/03/63/72/949036372.db2.gz VGYFOOUFVQSHLP-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CCC(=O)NCCN(C)c2ccc(-c3nnn[n-]3)cn2)n1 ZINC001574440806 949038691 /nfs/dbraw/zinc/03/86/91/949038691.db2.gz VILNUPAHVNMKJC-UHFFFAOYSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1noc(CCC(=O)NCCN(C)c2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574440806 949038708 /nfs/dbraw/zinc/03/87/08/949038708.db2.gz VILNUPAHVNMKJC-UHFFFAOYSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1noc(CN[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)n1 ZINC001574440793 949039310 /nfs/dbraw/zinc/03/93/10/949039310.db2.gz UTKQOKXZFSOASR-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CN[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)n1 ZINC001574440793 949039331 /nfs/dbraw/zinc/03/93/31/949039331.db2.gz UTKQOKXZFSOASR-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CCC(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001574440832 949040664 /nfs/dbraw/zinc/04/06/64/949040664.db2.gz VVHFMRJPJPPDRE-UHFFFAOYSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1noc(CCC(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001574440832 949040681 /nfs/dbraw/zinc/04/06/81/949040681.db2.gz VVHFMRJPJPPDRE-UHFFFAOYSA-N -1 3 385.432 0.953 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574927466 949046155 /nfs/dbraw/zinc/04/61/55/949046155.db2.gz JASZMAIEISIZDN-LBPRGKRZSA-N -1 3 380.412 0.608 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574927466 949046174 /nfs/dbraw/zinc/04/61/74/949046174.db2.gz JASZMAIEISIZDN-LBPRGKRZSA-N -1 3 380.412 0.608 20 0 GCADHM CC(C)c1nsc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574441167 949050903 /nfs/dbraw/zinc/05/09/03/949050903.db2.gz GRDPVQKCJGTVIK-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nsc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574441167 949050923 /nfs/dbraw/zinc/05/09/23/949050923.db2.gz GRDPVQKCJGTVIK-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574092189 949052382 /nfs/dbraw/zinc/05/23/82/949052382.db2.gz QRAZJGLRTJCOTQ-OLZOCXBDSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574092189 949052403 /nfs/dbraw/zinc/05/24/03/949052403.db2.gz QRAZJGLRTJCOTQ-OLZOCXBDSA-N -1 3 375.433 0.038 20 0 GCADHM C[C@H](CNC(=O)CN1CCOCC1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574928287 949053566 /nfs/dbraw/zinc/05/35/66/949053566.db2.gz OJVSDJYFRBKVDO-LBPRGKRZSA-N -1 3 377.424 0.502 20 0 GCADHM C[C@H](CNC(=O)CN1CCOCC1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574928287 949053583 /nfs/dbraw/zinc/05/35/83/949053583.db2.gz OJVSDJYFRBKVDO-LBPRGKRZSA-N -1 3 377.424 0.502 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575247913 949055331 /nfs/dbraw/zinc/05/53/31/949055331.db2.gz LMWOTXKGQBSKGY-JTQLQIEISA-N -1 3 391.501 0.779 20 0 GCADHM CC(C)c1nsc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574441233 949055772 /nfs/dbraw/zinc/05/57/72/949055772.db2.gz IISRVCBWXLQPLV-SECBINFHSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nsc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574441233 949055791 /nfs/dbraw/zinc/05/57/91/949055791.db2.gz IISRVCBWXLQPLV-SECBINFHSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574441270 949055878 /nfs/dbraw/zinc/05/58/78/949055878.db2.gz IYJAMJOYKYMGTF-GHMZBOCLSA-N -1 3 389.445 0.149 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574441270 949055898 /nfs/dbraw/zinc/05/58/98/949055898.db2.gz IYJAMJOYKYMGTF-GHMZBOCLSA-N -1 3 389.445 0.149 20 0 GCADHM CC(C)c1nsc(CNC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574441417 949058586 /nfs/dbraw/zinc/05/85/86/949058586.db2.gz JWHWWNJBOSKJMK-VIFPVBQESA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574441471 949062913 /nfs/dbraw/zinc/06/29/13/949062913.db2.gz LPXJAXXKUHVZJA-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574441471 949062926 /nfs/dbraw/zinc/06/29/26/949062926.db2.gz LPXJAXXKUHVZJA-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC/C=C\CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575248259 949066083 /nfs/dbraw/zinc/06/60/83/949066083.db2.gz QBTQRHQYLCRXND-FOQNGQEVSA-N -1 3 386.460 0.897 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC/C=C\CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575248259 949066103 /nfs/dbraw/zinc/06/61/03/949066103.db2.gz QBTQRHQYLCRXND-FOQNGQEVSA-N -1 3 386.460 0.897 20 0 GCADHM C[C@H](CNC(=O)CN1CCCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574928936 949067857 /nfs/dbraw/zinc/06/78/57/949067857.db2.gz TXRIDMRXVMTPLI-SNVBAGLBSA-N -1 3 376.396 0.338 20 0 GCADHM C[C@H](CNC(=O)CN1CCCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574928936 949067879 /nfs/dbraw/zinc/06/78/79/949067879.db2.gz TXRIDMRXVMTPLI-SNVBAGLBSA-N -1 3 376.396 0.338 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001575504310 949068262 /nfs/dbraw/zinc/06/82/62/949068262.db2.gz PXNQPFAKPZMPTQ-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM CC(C)c1nsc(NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574441818 949076908 /nfs/dbraw/zinc/07/69/08/949076908.db2.gz YIPYXUWGQDRLDD-SNVBAGLBSA-N -1 3 391.461 0.715 20 0 GCADHM CC(C)c1nsc(NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574441818 949076927 /nfs/dbraw/zinc/07/69/27/949076927.db2.gz YIPYXUWGQDRLDD-SNVBAGLBSA-N -1 3 391.461 0.715 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574694547 949083418 /nfs/dbraw/zinc/08/34/18/949083418.db2.gz RHHZMMNWQSEZJD-SNVBAGLBSA-N -1 3 381.462 0.344 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574694547 949083438 /nfs/dbraw/zinc/08/34/38/949083438.db2.gz RHHZMMNWQSEZJD-SNVBAGLBSA-N -1 3 381.462 0.344 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574092995 949088702 /nfs/dbraw/zinc/08/87/02/949088702.db2.gz QPTVBVSRECUVEZ-NWDGAFQWSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574092995 949088718 /nfs/dbraw/zinc/08/87/18/949088718.db2.gz QPTVBVSRECUVEZ-NWDGAFQWSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574093001 949090505 /nfs/dbraw/zinc/09/05/05/949090505.db2.gz QPTVBVSRECUVEZ-VXGBXAGGSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574093001 949090531 /nfs/dbraw/zinc/09/05/31/949090531.db2.gz QPTVBVSRECUVEZ-VXGBXAGGSA-N -1 3 375.433 0.038 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574929469 949093295 /nfs/dbraw/zinc/09/32/95/949093295.db2.gz DWIWHDGASNXGKT-DOMZBBRYSA-N -1 3 392.435 0.748 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574929469 949093311 /nfs/dbraw/zinc/09/33/11/949093311.db2.gz DWIWHDGASNXGKT-DOMZBBRYSA-N -1 3 392.435 0.748 20 0 GCADHM CC(C)c1nocc1C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574442389 949093990 /nfs/dbraw/zinc/09/39/90/949093990.db2.gz NKGKLUAECWZQMB-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1nocc1C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574442389 949094012 /nfs/dbraw/zinc/09/40/12/949094012.db2.gz NKGKLUAECWZQMB-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001575504938 949096909 /nfs/dbraw/zinc/09/69/09/949096909.db2.gz ZMUGUVYFZQKHAH-FWYOQMDTSA-N -1 3 392.423 0.675 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001575504938 949096932 /nfs/dbraw/zinc/09/69/32/949096932.db2.gz ZMUGUVYFZQKHAH-FWYOQMDTSA-N -1 3 392.423 0.675 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573781087 949098654 /nfs/dbraw/zinc/09/86/54/949098654.db2.gz BZTSTTOACMZGDV-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573781087 949098676 /nfs/dbraw/zinc/09/86/76/949098676.db2.gz BZTSTTOACMZGDV-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574442504 949101792 /nfs/dbraw/zinc/10/17/92/949101792.db2.gz QAAIYNVYUFKAKF-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574442504 949101805 /nfs/dbraw/zinc/10/18/05/949101805.db2.gz QAAIYNVYUFKAKF-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CC1 ZINC001573781403 949102723 /nfs/dbraw/zinc/10/27/23/949102723.db2.gz FQHYPUCQRYLRMS-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CC1 ZINC001573781403 949102728 /nfs/dbraw/zinc/10/27/28/949102728.db2.gz FQHYPUCQRYLRMS-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574442750 949104397 /nfs/dbraw/zinc/10/43/97/949104397.db2.gz UDNCZHVUMOBHNU-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574442750 949104408 /nfs/dbraw/zinc/10/44/08/949104408.db2.gz UDNCZHVUMOBHNU-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575249989 949106619 /nfs/dbraw/zinc/10/66/19/949106619.db2.gz CLTWHCSIJVFYMS-UWVGGRQHSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575249989 949106631 /nfs/dbraw/zinc/10/66/31/949106631.db2.gz CLTWHCSIJVFYMS-UWVGGRQHSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574930597 949106933 /nfs/dbraw/zinc/10/69/33/949106933.db2.gz KQNHXPUKNUIEGV-NEPJUHHUSA-N -1 3 378.408 0.976 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574930597 949106947 /nfs/dbraw/zinc/10/69/47/949106947.db2.gz KQNHXPUKNUIEGV-NEPJUHHUSA-N -1 3 378.408 0.976 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574443293 949107934 /nfs/dbraw/zinc/10/79/34/949107934.db2.gz WYUFCDUZRGKBAW-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574443293 949107945 /nfs/dbraw/zinc/10/79/45/949107945.db2.gz WYUFCDUZRGKBAW-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1c[nH]cn1 ZINC001573781490 949109088 /nfs/dbraw/zinc/10/90/88/949109088.db2.gz IAESZTFQOIHXKW-ARJAWSKDSA-N -1 3 383.416 0.298 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ncccc1-c1nn[n-]n1 ZINC001574930715 949109587 /nfs/dbraw/zinc/10/95/87/949109587.db2.gz MBFLBLDYBKXGKA-OLZOCXBDSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ncccc1-c1nnn[n-]1 ZINC001574930715 949109572 /nfs/dbraw/zinc/10/95/72/949109572.db2.gz MBFLBLDYBKXGKA-OLZOCXBDSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNc1ncccc1-c1nn[n-]n1 ZINC001574930703 949110869 /nfs/dbraw/zinc/11/08/69/949110869.db2.gz MBFLBLDYBKXGKA-CHWSQXEVSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNc1ncccc1-c1nnn[n-]1 ZINC001574930703 949110856 /nfs/dbraw/zinc/11/08/56/949110856.db2.gz MBFLBLDYBKXGKA-CHWSQXEVSA-N -1 3 375.433 0.622 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574443524 949111638 /nfs/dbraw/zinc/11/16/38/949111638.db2.gz ZIXABGLDWSZTNH-SNVBAGLBSA-N -1 3 390.379 0.715 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574443524 949111655 /nfs/dbraw/zinc/11/16/55/949111655.db2.gz ZIXABGLDWSZTNH-SNVBAGLBSA-N -1 3 390.379 0.715 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574931183 949113015 /nfs/dbraw/zinc/11/30/15/949113015.db2.gz OHMVGVSNOKJRBP-MWLCHTKSSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574931183 949113025 /nfs/dbraw/zinc/11/30/25/949113025.db2.gz OHMVGVSNOKJRBP-MWLCHTKSSA-N -1 3 381.824 0.637 20 0 GCADHM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1c[nH]cn1 ZINC001573782024 949114437 /nfs/dbraw/zinc/11/44/37/949114437.db2.gz OUIWTLSVJRYHQT-PHIMTYICSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1c[nH]cn1 ZINC001573782024 949114451 /nfs/dbraw/zinc/11/44/51/949114451.db2.gz OUIWTLSVJRYHQT-PHIMTYICSA-N -1 3 382.432 0.664 20 0 GCADHM C[C@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575250695 949115341 /nfs/dbraw/zinc/11/53/41/949115341.db2.gz GJFLXLUANXNTFR-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575250695 949115356 /nfs/dbraw/zinc/11/53/56/949115356.db2.gz GJFLXLUANXNTFR-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)(C(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)c1c[nH]cn1 ZINC001573782010 949116067 /nfs/dbraw/zinc/11/60/67/949116067.db2.gz ODXHZQLSAMSLKK-UHFFFAOYSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)(C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)c1c[nH]cn1 ZINC001573782010 949116082 /nfs/dbraw/zinc/11/60/82/949116082.db2.gz ODXHZQLSAMSLKK-UHFFFAOYSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)C(F)F ZINC001573782049 949116707 /nfs/dbraw/zinc/11/67/07/949116707.db2.gz PGQAPZHJVFSFDB-JTQLQIEISA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)C(F)F ZINC001573782049 949116716 /nfs/dbraw/zinc/11/67/16/949116716.db2.gz PGQAPZHJVFSFDB-JTQLQIEISA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574931427 949117809 /nfs/dbraw/zinc/11/78/09/949117809.db2.gz PEFBWLGQHFWNOX-JSGCOSHPSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574931427 949117814 /nfs/dbraw/zinc/11/78/14/949117814.db2.gz PEFBWLGQHFWNOX-JSGCOSHPSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574931685 949120826 /nfs/dbraw/zinc/12/08/26/949120826.db2.gz QSOGPFIDZKEYIP-JQWIXIFHSA-N -1 3 379.396 0.371 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574931685 949120818 /nfs/dbraw/zinc/12/08/18/949120818.db2.gz QSOGPFIDZKEYIP-JQWIXIFHSA-N -1 3 379.396 0.371 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575250948 949122643 /nfs/dbraw/zinc/12/26/43/949122643.db2.gz JGLABQVKIVOZIW-OLZOCXBDSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575250948 949122627 /nfs/dbraw/zinc/12/26/27/949122627.db2.gz JGLABQVKIVOZIW-OLZOCXBDSA-N -1 3 388.476 0.678 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001574446243 949124416 /nfs/dbraw/zinc/12/44/16/949124416.db2.gz KXZJNJBMJZFEEL-KGLIPLIRSA-N -1 3 383.412 0.958 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001574446243 949124428 /nfs/dbraw/zinc/12/44/28/949124428.db2.gz KXZJNJBMJZFEEL-KGLIPLIRSA-N -1 3 383.412 0.958 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574446240 949124587 /nfs/dbraw/zinc/12/45/87/949124587.db2.gz KUOPVBYNDHJSPJ-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574446240 949124602 /nfs/dbraw/zinc/12/46/02/949124602.db2.gz KUOPVBYNDHJSPJ-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575251044 949125147 /nfs/dbraw/zinc/12/51/47/949125147.db2.gz KIVWSQIOKDVLEH-RAIGVLPGSA-N -1 3 386.460 0.872 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575251044 949125160 /nfs/dbraw/zinc/12/51/60/949125160.db2.gz KIVWSQIOKDVLEH-RAIGVLPGSA-N -1 3 386.460 0.872 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574696222 949125964 /nfs/dbraw/zinc/12/59/64/949125964.db2.gz NOUXVJFTDHYQID-GFCCVEGCSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574696222 949125980 /nfs/dbraw/zinc/12/59/80/949125980.db2.gz NOUXVJFTDHYQID-GFCCVEGCSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574446288 949129670 /nfs/dbraw/zinc/12/96/70/949129670.db2.gz NCJKJCCTPAGNML-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574446288 949129686 /nfs/dbraw/zinc/12/96/86/949129686.db2.gz NCJKJCCTPAGNML-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574932105 949129887 /nfs/dbraw/zinc/12/98/87/949129887.db2.gz VDGGMDMVURCIDM-PWSUYJOCSA-N -1 3 379.396 0.513 20 0 GCADHM CC(C)(C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573782713 949129825 /nfs/dbraw/zinc/12/98/25/949129825.db2.gz VUXOKEINYITYJL-UHFFFAOYSA-N -1 3 392.485 0.238 20 0 GCADHM CC(C)(C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573782713 949129848 /nfs/dbraw/zinc/12/98/48/949129848.db2.gz VUXOKEINYITYJL-UHFFFAOYSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574932105 949129904 /nfs/dbraw/zinc/12/99/04/949129904.db2.gz VDGGMDMVURCIDM-PWSUYJOCSA-N -1 3 379.396 0.513 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574932106 949130879 /nfs/dbraw/zinc/13/08/79/949130879.db2.gz VDGGMDMVURCIDM-ZYHUDNBSSA-N -1 3 379.396 0.513 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574932106 949130892 /nfs/dbraw/zinc/13/08/92/949130892.db2.gz VDGGMDMVURCIDM-ZYHUDNBSSA-N -1 3 379.396 0.513 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575251219 949134077 /nfs/dbraw/zinc/13/40/77/949134077.db2.gz MDQUALUJHWFKJR-VHSXEESVSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575251219 949134092 /nfs/dbraw/zinc/13/40/92/949134092.db2.gz MDQUALUJHWFKJR-VHSXEESVSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574932220 949134966 /nfs/dbraw/zinc/13/49/66/949134966.db2.gz WBYMRWKOJJJQQY-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574932220 949134948 /nfs/dbraw/zinc/13/49/48/949134948.db2.gz WBYMRWKOJJJQQY-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573782913 949137170 /nfs/dbraw/zinc/13/71/70/949137170.db2.gz ZHDSUCXZAISQCZ-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573782913 949137183 /nfs/dbraw/zinc/13/71/83/949137183.db2.gz ZHDSUCXZAISQCZ-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001574446646 949137640 /nfs/dbraw/zinc/13/76/40/949137640.db2.gz UUWSTHNXCJCGBZ-CABCVRRESA-N -1 3 383.412 0.958 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001574446646 949137648 /nfs/dbraw/zinc/13/76/48/949137648.db2.gz UUWSTHNXCJCGBZ-CABCVRRESA-N -1 3 383.412 0.958 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574932312 949140465 /nfs/dbraw/zinc/14/04/65/949140465.db2.gz XVIIPNQLXQCQIZ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574932312 949140475 /nfs/dbraw/zinc/14/04/75/949140475.db2.gz XVIIPNQLXQCQIZ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574932418 949144838 /nfs/dbraw/zinc/14/48/38/949144838.db2.gz ZWMVHQPKMFMNLN-RYUDHWBXSA-N -1 3 378.408 0.752 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574932418 949144854 /nfs/dbraw/zinc/14/48/54/949144854.db2.gz ZWMVHQPKMFMNLN-RYUDHWBXSA-N -1 3 378.408 0.752 20 0 GCADHM C[C@H](CNC(=O)COCc1ccnn1C)CNc1ncccc1-c1nnn[n-]1 ZINC001574934257 949151315 /nfs/dbraw/zinc/15/13/15/949151315.db2.gz CYYVEIFNHJITGH-GFCCVEGCSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@H](CNC(=O)COCc1ccnn1C)CNc1ncccc1-c1nn[n-]n1 ZINC001574934257 949151329 /nfs/dbraw/zinc/15/13/29/949151329.db2.gz CYYVEIFNHJITGH-GFCCVEGCSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575251982 949153092 /nfs/dbraw/zinc/15/30/92/949153092.db2.gz DFMHCGDPSYOKSR-QWRGUYRKSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575251982 949153098 /nfs/dbraw/zinc/15/30/98/949153098.db2.gz DFMHCGDPSYOKSR-QWRGUYRKSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001574447169 949155279 /nfs/dbraw/zinc/15/52/79/949155279.db2.gz JBIBGSUUJXQGHN-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001574447169 949155288 /nfs/dbraw/zinc/15/52/88/949155288.db2.gz JBIBGSUUJXQGHN-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM C[C@H](CNC(=O)COCc1nncn1C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574934343 949155322 /nfs/dbraw/zinc/15/53/22/949155322.db2.gz FRNWWKAMOGSMRG-SNVBAGLBSA-N -1 3 389.395 0.268 20 0 GCADHM C[C@H](CNC(=O)COCc1nncn1C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574934343 949155333 /nfs/dbraw/zinc/15/53/33/949155333.db2.gz FRNWWKAMOGSMRG-SNVBAGLBSA-N -1 3 389.395 0.268 20 0 GCADHM C[C@H](NC(=O)C1(CCF)CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575252018 949157152 /nfs/dbraw/zinc/15/71/52/949157152.db2.gz DMQHRJQMDYRWJJ-JTQLQIEISA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](NC(=O)C1(CCF)CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575252018 949157164 /nfs/dbraw/zinc/15/71/64/949157164.db2.gz DMQHRJQMDYRWJJ-JTQLQIEISA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573787062 949161958 /nfs/dbraw/zinc/16/19/58/949161958.db2.gz LHCDKBGGNHKFCY-PHIMTYICSA-N -1 3 379.446 0.144 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574447466 949161965 /nfs/dbraw/zinc/16/19/65/949161965.db2.gz ONYFWAMECLNOJP-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574447466 949161990 /nfs/dbraw/zinc/16/19/90/949161990.db2.gz ONYFWAMECLNOJP-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573787062 949161979 /nfs/dbraw/zinc/16/19/79/949161979.db2.gz LHCDKBGGNHKFCY-PHIMTYICSA-N -1 3 379.446 0.144 20 0 GCADHM C[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ncon1 ZINC001574934600 949167913 /nfs/dbraw/zinc/16/79/13/949167913.db2.gz LUYCKDAKUUGJSH-JTQLQIEISA-N -1 3 391.413 0.084 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934632 949170199 /nfs/dbraw/zinc/17/01/99/949170199.db2.gz MPQRGRSZOOSFDR-GFCCVEGCSA-N -1 3 383.412 0.756 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934632 949170217 /nfs/dbraw/zinc/17/02/17/949170217.db2.gz MPQRGRSZOOSFDR-GFCCVEGCSA-N -1 3 383.412 0.756 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C1CCC1 ZINC001573787212 949172461 /nfs/dbraw/zinc/17/24/61/949172461.db2.gz QTWYOEIFEUUMKC-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C1CCC1 ZINC001573787212 949172474 /nfs/dbraw/zinc/17/24/74/949172474.db2.gz QTWYOEIFEUUMKC-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574934711 949176279 /nfs/dbraw/zinc/17/62/79/949176279.db2.gz OXMYNVBPYDAKMT-NSHDSACASA-N -1 3 381.462 0.026 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574934711 949176291 /nfs/dbraw/zinc/17/62/91/949176291.db2.gz OXMYNVBPYDAKMT-NSHDSACASA-N -1 3 381.462 0.026 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574934735 949176885 /nfs/dbraw/zinc/17/68/85/949176885.db2.gz PMGWHHQGXIVVFV-LBPRGKRZSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574934735 949176890 /nfs/dbraw/zinc/17/68/90/949176890.db2.gz PMGWHHQGXIVVFV-LBPRGKRZSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574698167 949177946 /nfs/dbraw/zinc/17/79/46/949177946.db2.gz GUICNAVWKMAQSS-QWRGUYRKSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)OCC1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574698167 949177968 /nfs/dbraw/zinc/17/79/68/949177968.db2.gz GUICNAVWKMAQSS-QWRGUYRKSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575253108 949179527 /nfs/dbraw/zinc/17/95/27/949179527.db2.gz ILOYDODGHVYXCM-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575253108 949179538 /nfs/dbraw/zinc/17/95/38/949179538.db2.gz ILOYDODGHVYXCM-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](c1ccccc1F)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575515011 949181210 /nfs/dbraw/zinc/18/12/10/949181210.db2.gz FBGMCTDNJHIERY-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](c1ccccc1F)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575515011 949181215 /nfs/dbraw/zinc/18/12/15/949181215.db2.gz FBGMCTDNJHIERY-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM CC(C)CC(=O)N(C)CCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574099686 949181407 /nfs/dbraw/zinc/18/14/07/949181407.db2.gz NHQXFWROWWBKCM-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM CC(C)CC(=O)N(C)CCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574099686 949181414 /nfs/dbraw/zinc/18/14/14/949181414.db2.gz NHQXFWROWWBKCM-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575253170 949183848 /nfs/dbraw/zinc/18/38/48/949183848.db2.gz SSZZPWZXKUXCEG-KCJUWKMLSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575253170 949183860 /nfs/dbraw/zinc/18/38/60/949183860.db2.gz SSZZPWZXKUXCEG-KCJUWKMLSA-N -1 3 383.359 0.196 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573787775 949186233 /nfs/dbraw/zinc/18/62/33/949186233.db2.gz ALIORBMAOOCCSO-DTORHVGOSA-N -1 3 378.824 0.486 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573787775 949186248 /nfs/dbraw/zinc/18/62/48/949186248.db2.gz ALIORBMAOOCCSO-DTORHVGOSA-N -1 3 378.824 0.486 20 0 GCADHM C[C@@H](c1ccccc1F)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575515288 949186438 /nfs/dbraw/zinc/18/64/38/949186438.db2.gz HHXFDQLWVJALJW-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](c1ccccc1F)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575515288 949186450 /nfs/dbraw/zinc/18/64/50/949186450.db2.gz HHXFDQLWVJALJW-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574934941 949187488 /nfs/dbraw/zinc/18/74/88/949187488.db2.gz VQMWJMHRWOMXKW-SNVBAGLBSA-N -1 3 389.395 0.268 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574934941 949187499 /nfs/dbraw/zinc/18/74/99/949187499.db2.gz VQMWJMHRWOMXKW-SNVBAGLBSA-N -1 3 389.395 0.268 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001573788108 949191324 /nfs/dbraw/zinc/19/13/24/949191324.db2.gz GLWMFHXDKVXBDA-RYUDHWBXSA-N -1 3 384.444 0.613 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001573788108 949191335 /nfs/dbraw/zinc/19/13/35/949191335.db2.gz GLWMFHXDKVXBDA-RYUDHWBXSA-N -1 3 384.444 0.613 20 0 GCADHM C[C@H](CNC(=O)CS(C)(=O)=O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574935058 949192774 /nfs/dbraw/zinc/19/27/74/949192774.db2.gz YIKAACBZZGWPNE-MRVPVSSYSA-N -1 3 387.853 0.124 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574935130 949196064 /nfs/dbraw/zinc/19/60/64/949196064.db2.gz ZVRQQQWXCXEEIE-GFCCVEGCSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574935130 949196074 /nfs/dbraw/zinc/19/60/74/949196074.db2.gz ZVRQQQWXCXEEIE-GFCCVEGCSA-N -1 3 385.432 0.376 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573788617 949204041 /nfs/dbraw/zinc/20/40/41/949204041.db2.gz PFZWPSUJCPYJRT-GFCCVEGCSA-N -1 3 375.408 0.208 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573788617 949204058 /nfs/dbraw/zinc/20/40/58/949204058.db2.gz PFZWPSUJCPYJRT-GFCCVEGCSA-N -1 3 375.408 0.208 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574449934 949208869 /nfs/dbraw/zinc/20/88/69/949208869.db2.gz WSBUMQMKVGZBDD-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574449934 949208891 /nfs/dbraw/zinc/20/88/91/949208891.db2.gz WSBUMQMKVGZBDD-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC1(Nc2cccc(F)c2-c2nnn[n-]2)CCN(C(=O)Cn2cnnn2)CC1 ZINC001575853280 949210037 /nfs/dbraw/zinc/21/00/37/949210037.db2.gz NHGISLAUIVGQSE-UHFFFAOYSA-N -1 3 386.395 0.486 20 0 GCADHM CC1(Nc2cccc(F)c2-c2nn[n-]n2)CCN(C(=O)Cn2cnnn2)CC1 ZINC001575853280 949210058 /nfs/dbraw/zinc/21/00/58/949210058.db2.gz NHGISLAUIVGQSE-UHFFFAOYSA-N -1 3 386.395 0.486 20 0 GCADHM CC(C)c1oncc1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574451170 949214932 /nfs/dbraw/zinc/21/49/32/949214932.db2.gz FUZUCRGQVKLBEW-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574451170 949214951 /nfs/dbraw/zinc/21/49/51/949214951.db2.gz FUZUCRGQVKLBEW-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001575853697 949218973 /nfs/dbraw/zinc/21/89/73/949218973.db2.gz XUNNEZZIZJPRHA-UHFFFAOYSA-N -1 3 386.395 0.555 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576151485 949221269 /nfs/dbraw/zinc/22/12/69/949221269.db2.gz FUSRMINIPZLWER-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576151485 949221292 /nfs/dbraw/zinc/22/12/92/949221292.db2.gz FUSRMINIPZLWER-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001574451281 949225833 /nfs/dbraw/zinc/22/58/33/949225833.db2.gz KHUHDMKVUKIPBO-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001574451281 949225859 /nfs/dbraw/zinc/22/58/59/949225859.db2.gz KHUHDMKVUKIPBO-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576151544 949228361 /nfs/dbraw/zinc/22/83/61/949228361.db2.gz GJLKEHVVDLQHFF-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576151544 949228381 /nfs/dbraw/zinc/22/83/81/949228381.db2.gz GJLKEHVVDLQHFF-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCO2 ZINC001573791892 949229958 /nfs/dbraw/zinc/22/99/58/949229958.db2.gz HRIKHJXJZVLHGF-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001573791892 949229983 /nfs/dbraw/zinc/22/99/83/949229983.db2.gz HRIKHJXJZVLHGF-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](c1ccccc1F)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575517627 949230650 /nfs/dbraw/zinc/23/06/50/949230650.db2.gz XOZWGNWVQRQYLK-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](c1ccccc1F)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575517627 949230665 /nfs/dbraw/zinc/23/06/65/949230665.db2.gz XOZWGNWVQRQYLK-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)cc1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574937667 949232230 /nfs/dbraw/zinc/23/22/30/949232230.db2.gz PLCRSSRHWVJMFK-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)cc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574937667 949232247 /nfs/dbraw/zinc/23/22/47/949232247.db2.gz PLCRSSRHWVJMFK-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)CC(=O)N1CC[C@@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001574103277 949235674 /nfs/dbraw/zinc/23/56/74/949235674.db2.gz PIYZAYNJMJXGIX-CQSZACIVSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)CC(=O)N1CC[C@@H](N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001574103277 949235697 /nfs/dbraw/zinc/23/56/97/949235697.db2.gz PIYZAYNJMJXGIX-CQSZACIVSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574451661 949237517 /nfs/dbraw/zinc/23/75/17/949237517.db2.gz SRDAVLHMBZYEAP-PHIMTYICSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574451661 949237540 /nfs/dbraw/zinc/23/75/40/949237540.db2.gz SRDAVLHMBZYEAP-PHIMTYICSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574451950 949247959 /nfs/dbraw/zinc/24/79/59/949247959.db2.gz BRGOBIUFXRWYIN-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574451950 949247980 /nfs/dbraw/zinc/24/79/80/949247980.db2.gz BRGOBIUFXRWYIN-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576152321 949249535 /nfs/dbraw/zinc/24/95/35/949249535.db2.gz INVUOLRUUDMQDD-DIFFPNOSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576152321 949249555 /nfs/dbraw/zinc/24/95/55/949249555.db2.gz INVUOLRUUDMQDD-DIFFPNOSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](NC(=O)C1(CCF)CC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575256457 949251596 /nfs/dbraw/zinc/25/15/96/949251596.db2.gz VMUYIPBBDGVLGA-SNVBAGLBSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](NC(=O)C1(CCF)CC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575256457 949251612 /nfs/dbraw/zinc/25/16/12/949251612.db2.gz VMUYIPBBDGVLGA-SNVBAGLBSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O ZINC001573792585 949253347 /nfs/dbraw/zinc/25/33/47/949253347.db2.gz BCXQMNKJEWYSMS-MNOVXSKESA-N -1 3 393.835 0.196 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O ZINC001573792585 949253368 /nfs/dbraw/zinc/25/33/68/949253368.db2.gz BCXQMNKJEWYSMS-MNOVXSKESA-N -1 3 393.835 0.196 20 0 GCADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576152650 949260318 /nfs/dbraw/zinc/26/03/18/949260318.db2.gz KAQFIGYJODHTMO-CHWSQXEVSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576152650 949260337 /nfs/dbraw/zinc/26/03/37/949260337.db2.gz KAQFIGYJODHTMO-CHWSQXEVSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521270 949260402 /nfs/dbraw/zinc/26/04/02/949260402.db2.gz FHHPFYQEEFGOHO-NWDGAFQWSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521270 949260423 /nfs/dbraw/zinc/26/04/23/949260423.db2.gz FHHPFYQEEFGOHO-NWDGAFQWSA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)n1cc(C(=O)N2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001574452531 949264088 /nfs/dbraw/zinc/26/40/88/949264088.db2.gz MMHCCMQDUNDJQY-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1cc(C(=O)N2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001574452531 949264107 /nfs/dbraw/zinc/26/41/07/949264107.db2.gz MMHCCMQDUNDJQY-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576152857 949264226 /nfs/dbraw/zinc/26/42/26/949264226.db2.gz KCMHFWKVSDFMDW-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576152857 949264247 /nfs/dbraw/zinc/26/42/47/949264247.db2.gz KCMHFWKVSDFMDW-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575521551 949264614 /nfs/dbraw/zinc/26/46/14/949264614.db2.gz GMHAHMUFOBRKEG-WCFLWFBJSA-N -1 3 382.432 0.373 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575521551 949264634 /nfs/dbraw/zinc/26/46/34/949264634.db2.gz GMHAHMUFOBRKEG-WCFLWFBJSA-N -1 3 382.432 0.373 20 0 GCADHM C[C@H](c1nncn1C)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521999 949268465 /nfs/dbraw/zinc/26/84/65/949268465.db2.gz JPONCRHOVNLNJC-NEPJUHHUSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521999 949268488 /nfs/dbraw/zinc/26/84/88/949268488.db2.gz JPONCRHOVNLNJC-NEPJUHHUSA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001574105496 949268516 /nfs/dbraw/zinc/26/85/16/949268516.db2.gz CMFVTBJMGBKZGC-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001574105496 949268538 /nfs/dbraw/zinc/26/85/38/949268538.db2.gz CMFVTBJMGBKZGC-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573792856 949268768 /nfs/dbraw/zinc/26/87/68/949268768.db2.gz GHJAJOMNUOBPBJ-GJZGRUSLSA-N -1 3 386.456 0.533 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521989 949269420 /nfs/dbraw/zinc/26/94/20/949269420.db2.gz JNTKQPMUVFMDHG-UTUOFQBUSA-N -1 3 382.432 0.373 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521989 949269450 /nfs/dbraw/zinc/26/94/50/949269450.db2.gz JNTKQPMUVFMDHG-UTUOFQBUSA-N -1 3 382.432 0.373 20 0 GCADHM C[C@H](c1csnn1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575522865 949280703 /nfs/dbraw/zinc/28/07/03/949280703.db2.gz MZICEMQSEIYEIR-GPCCPHFNSA-N -1 3 385.457 0.954 20 0 GCADHM C[C@H](c1csnn1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575522865 949280714 /nfs/dbraw/zinc/28/07/14/949280714.db2.gz MZICEMQSEIYEIR-GPCCPHFNSA-N -1 3 385.457 0.954 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575522906 949281737 /nfs/dbraw/zinc/28/17/37/949281737.db2.gz NIXDCALZWRHBAV-NWDGAFQWSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576153425 949284448 /nfs/dbraw/zinc/28/44/48/949284448.db2.gz MBKXFCNUTKADLI-SGTLLEGYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576153425 949284468 /nfs/dbraw/zinc/28/44/68/949284468.db2.gz MBKXFCNUTKADLI-SGTLLEGYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nncn1C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575522998 949284868 /nfs/dbraw/zinc/28/48/68/949284868.db2.gz NZIXSMWETXAGAL-GFCCVEGCSA-N -1 3 386.464 0.867 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nncn1C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575522998 949284888 /nfs/dbraw/zinc/28/48/88/949284888.db2.gz NZIXSMWETXAGAL-GFCCVEGCSA-N -1 3 386.464 0.867 20 0 GCADHM CC(C)n1cc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]c1=O ZINC001574454745 949284988 /nfs/dbraw/zinc/28/49/88/949284988.db2.gz BSOISJMFISPBJN-UHFFFAOYSA-N -1 3 385.384 0.405 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573793149 949285389 /nfs/dbraw/zinc/28/53/89/949285389.db2.gz MSOLHHKCPACWHL-OAHLLOKOSA-N -1 3 386.456 0.799 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573793149 949285413 /nfs/dbraw/zinc/28/54/13/949285413.db2.gz MSOLHHKCPACWHL-OAHLLOKOSA-N -1 3 386.456 0.799 20 0 GCADHM CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)nn1 ZINC001573793125 949286106 /nfs/dbraw/zinc/28/61/06/949286106.db2.gz LZECNZMHANYOCO-AWEZNQCLSA-N -1 3 394.439 0.971 20 0 GCADHM CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)nn1 ZINC001573793125 949286131 /nfs/dbraw/zinc/28/61/31/949286131.db2.gz LZECNZMHANYOCO-AWEZNQCLSA-N -1 3 394.439 0.971 20 0 GCADHM CC1=C(C(=O)NC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCO1 ZINC001575860046 949289351 /nfs/dbraw/zinc/28/93/51/949289351.db2.gz BKRARIRHLOTHAY-OAHLLOKOSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCO1 ZINC001575860046 949289374 /nfs/dbraw/zinc/28/93/74/949289374.db2.gz BKRARIRHLOTHAY-OAHLLOKOSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001575523340 949289629 /nfs/dbraw/zinc/28/96/29/949289629.db2.gz PLAVJWQZAXKZHR-GWCFXTLKSA-N -1 3 384.448 0.525 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001575523340 949289652 /nfs/dbraw/zinc/28/96/52/949289652.db2.gz PLAVJWQZAXKZHR-GWCFXTLKSA-N -1 3 384.448 0.525 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575257924 949289788 /nfs/dbraw/zinc/28/97/88/949289788.db2.gz CUDLCIPQGQFLKL-KCJUWKMLSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575257924 949289813 /nfs/dbraw/zinc/28/98/13/949289813.db2.gz CUDLCIPQGQFLKL-KCJUWKMLSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](c1cnccn1)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575523019 949289775 /nfs/dbraw/zinc/28/97/75/949289775.db2.gz OEQLOUMKVRCSAT-WCQYABFASA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H](c1cnccn1)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575523019 949289800 /nfs/dbraw/zinc/28/98/00/949289800.db2.gz OEQLOUMKVRCSAT-WCQYABFASA-N -1 3 383.416 0.177 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573793186 949290051 /nfs/dbraw/zinc/29/00/51/949290051.db2.gz NQEPDYZIGMEYCT-SNVBAGLBSA-N -1 3 375.408 0.959 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573793186 949290071 /nfs/dbraw/zinc/29/00/71/949290071.db2.gz NQEPDYZIGMEYCT-SNVBAGLBSA-N -1 3 375.408 0.959 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576153469 949290091 /nfs/dbraw/zinc/29/00/91/949290091.db2.gz MPIBXECBNLHGNT-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576153469 949290115 /nfs/dbraw/zinc/29/01/15/949290115.db2.gz MPIBXECBNLHGNT-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@]12CN(C(=O)c3ncc(-c4nnn[n-]4)cc3Cl)C[C@]1(C)C(=O)NC2=O ZINC001575860208 949290551 /nfs/dbraw/zinc/29/05/51/949290551.db2.gz DHBFTVFKOHAKDC-HUUCEWRRSA-N -1 3 375.776 0.040 20 0 GCADHM C[C@]12CN(C(=O)c3ncc(-c4nn[n-]n4)cc3Cl)C[C@]1(C)C(=O)NC2=O ZINC001575860208 949290566 /nfs/dbraw/zinc/29/05/66/949290566.db2.gz DHBFTVFKOHAKDC-HUUCEWRRSA-N -1 3 375.776 0.040 20 0 GCADHM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574941139 949291341 /nfs/dbraw/zinc/29/13/41/949291341.db2.gz AZGQBVAFFTVSAI-GFCCVEGCSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574941139 949291361 /nfs/dbraw/zinc/29/13/61/949291361.db2.gz AZGQBVAFFTVSAI-GFCCVEGCSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575523480 949292034 /nfs/dbraw/zinc/29/20/34/949292034.db2.gz QGUXOTPUMPTXQQ-RYUDHWBXSA-N -1 3 384.448 0.669 20 0 GCADHM C[C@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001575523397 949292168 /nfs/dbraw/zinc/29/21/68/949292168.db2.gz PTXUTWFCAILHIF-WUWHUORYSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001575523397 949292189 /nfs/dbraw/zinc/29/21/89/949292189.db2.gz PTXUTWFCAILHIF-WUWHUORYSA-N -1 3 382.432 0.420 20 0 GCADHM CC(C)n1cc(CN2CC[C@](C)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574454941 949293195 /nfs/dbraw/zinc/29/31/95/949293195.db2.gz IMINZIDRBKLFOU-KRWDZBQOSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CC[C@](C)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574454941 949293216 /nfs/dbraw/zinc/29/32/16/949293216.db2.gz IMINZIDRBKLFOU-KRWDZBQOSA-N -1 3 384.448 0.762 20 0 GCADHM CC1=C(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2N)[C@@H](C)n2nnnc2N1C ZINC001575860405 949295957 /nfs/dbraw/zinc/29/59/57/949295957.db2.gz GXOQZVKXRXKENT-SSDOTTSWSA-N -1 3 385.367 0.498 20 0 GCADHM CC1=C(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2N)[C@@H](C)n2nnnc2N1C ZINC001575860405 949295980 /nfs/dbraw/zinc/29/59/80/949295980.db2.gz GXOQZVKXRXKENT-SSDOTTSWSA-N -1 3 385.367 0.498 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575258432 949299324 /nfs/dbraw/zinc/29/93/24/949299324.db2.gz HJFZBEPVWMEHDA-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575258432 949299341 /nfs/dbraw/zinc/29/93/41/949299341.db2.gz HJFZBEPVWMEHDA-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@](CNC(=O)Cc1c[nH]cn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574941233 949299358 /nfs/dbraw/zinc/29/93/58/949299358.db2.gz BXOXDVZHAXHKMO-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001574455175 949301406 /nfs/dbraw/zinc/30/14/06/949301406.db2.gz MFJXCMKJBREYGS-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001574455175 949301429 /nfs/dbraw/zinc/30/14/29/949301429.db2.gz MFJXCMKJBREYGS-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1cc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001574455219 949301622 /nfs/dbraw/zinc/30/16/22/949301622.db2.gz MTLANYLIEOMWTE-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001574455219 949301644 /nfs/dbraw/zinc/30/16/44/949301644.db2.gz MTLANYLIEOMWTE-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)CCCO1 ZINC001575860622 949304601 /nfs/dbraw/zinc/30/46/01/949304601.db2.gz KBTFPKNGTVBSPJ-BONVTDFDSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)CCCO1 ZINC001575860622 949304622 /nfs/dbraw/zinc/30/46/22/949304622.db2.gz KBTFPKNGTVBSPJ-BONVTDFDSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575524059 949305886 /nfs/dbraw/zinc/30/58/86/949305886.db2.gz SCPCUDBZSOSAEX-DGCLKSJQSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575524059 949305906 /nfs/dbraw/zinc/30/59/06/949305906.db2.gz SCPCUDBZSOSAEX-DGCLKSJQSA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)n1cc(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c(=O)[nH]c1=O ZINC001574455587 949306033 /nfs/dbraw/zinc/30/60/33/949306033.db2.gz QFDUIRRIJVRCDY-UHFFFAOYSA-N -1 3 383.412 0.959 20 0 GCADHM CC(C)n1cc(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]c1=O ZINC001574455587 949306054 /nfs/dbraw/zinc/30/60/54/949306054.db2.gz QFDUIRRIJVRCDY-UHFFFAOYSA-N -1 3 383.412 0.959 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001574455680 949308365 /nfs/dbraw/zinc/30/83/65/949308365.db2.gz WODCXIFHWNIYJV-JOCQHMNTSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001574455680 949308391 /nfs/dbraw/zinc/30/83/91/949308391.db2.gz WODCXIFHWNIYJV-JOCQHMNTSA-N -1 3 383.416 0.663 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575524188 949310527 /nfs/dbraw/zinc/31/05/27/949310527.db2.gz SRSWUYUZOZLOLI-NSHDSACASA-N -1 3 382.432 0.232 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575524188 949310548 /nfs/dbraw/zinc/31/05/48/949310548.db2.gz SRSWUYUZOZLOLI-NSHDSACASA-N -1 3 382.432 0.232 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153996 949310718 /nfs/dbraw/zinc/31/07/18/949310718.db2.gz OEBHGBICSNGPMQ-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153996 949310733 /nfs/dbraw/zinc/31/07/33/949310733.db2.gz OEBHGBICSNGPMQ-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@](CNC(=O)Cc1c[nH]cn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574941749 949314304 /nfs/dbraw/zinc/31/43/04/949314304.db2.gz GYWGANWYZBPBKQ-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM CC(C)CC(=O)N1CCC[C@H](N(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574109271 949316031 /nfs/dbraw/zinc/31/60/31/949316031.db2.gz WJVLUJNQELEWEL-ZDUSSCGKSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N1CCC[C@H](N(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574109271 949316056 /nfs/dbraw/zinc/31/60/56/949316056.db2.gz WJVLUJNQELEWEL-ZDUSSCGKSA-N -1 3 389.460 0.666 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524410 949317309 /nfs/dbraw/zinc/31/73/09/949317309.db2.gz IIEXHQRJDCJVQM-KOLCDFICSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524410 949317326 /nfs/dbraw/zinc/31/73/26/949317326.db2.gz IIEXHQRJDCJVQM-KOLCDFICSA-N -1 3 383.420 0.082 20 0 GCADHM CC(C)(C)C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573794210 949318695 /nfs/dbraw/zinc/31/86/95/949318695.db2.gz DEYLCUVGMDGBEJ-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573794210 949318718 /nfs/dbraw/zinc/31/87/18/949318718.db2.gz DEYLCUVGMDGBEJ-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC1=C(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575861220 949319890 /nfs/dbraw/zinc/31/98/90/949319890.db2.gz QIOQXRRFNJBZMF-HAQNSBGRSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575861220 949319909 /nfs/dbraw/zinc/31/99/09/949319909.db2.gz QIOQXRRFNJBZMF-HAQNSBGRSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@H](c1ncccn1)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575524503 949320631 /nfs/dbraw/zinc/32/06/31/949320631.db2.gz UDSSZKQAKOEZPU-DGCLKSJQSA-N -1 3 385.432 0.111 20 0 GCADHM C[C@H](c1ncccn1)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575524503 949320655 /nfs/dbraw/zinc/32/06/55/949320655.db2.gz UDSSZKQAKOEZPU-DGCLKSJQSA-N -1 3 385.432 0.111 20 0 GCADHM CC(C)n1ccc(C(=O)N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001574457340 949324752 /nfs/dbraw/zinc/32/47/52/949324752.db2.gz HPPSDLXYEHUGCZ-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1ccc(C(=O)N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001574457340 949324772 /nfs/dbraw/zinc/32/47/72/949324772.db2.gz HPPSDLXYEHUGCZ-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001574457343 949326958 /nfs/dbraw/zinc/32/69/58/949326958.db2.gz HYCANJJCZISSIT-ZDUSSCGKSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574457343 949326981 /nfs/dbraw/zinc/32/69/81/949326981.db2.gz HYCANJJCZISSIT-ZDUSSCGKSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001574457342 949328323 /nfs/dbraw/zinc/32/83/23/949328323.db2.gz HYCANJJCZISSIT-CYBMUJFWSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574457342 949328342 /nfs/dbraw/zinc/32/83/42/949328342.db2.gz HYCANJJCZISSIT-CYBMUJFWSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574457614 949331074 /nfs/dbraw/zinc/33/10/74/949331074.db2.gz LKUZGNUOUGVMNK-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574457614 949331092 /nfs/dbraw/zinc/33/10/92/949331092.db2.gz LKUZGNUOUGVMNK-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)NCC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574457653 949331203 /nfs/dbraw/zinc/33/12/03/949331203.db2.gz MEBOJFJIOGZOBL-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1ccc(C(=O)NCC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574457653 949331225 /nfs/dbraw/zinc/33/12/25/949331225.db2.gz MEBOJFJIOGZOBL-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576154340 949331800 /nfs/dbraw/zinc/33/18/00/949331800.db2.gz PPZRCTBGTUEZIL-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576154340 949331822 /nfs/dbraw/zinc/33/18/22/949331822.db2.gz PPZRCTBGTUEZIL-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575525046 949331905 /nfs/dbraw/zinc/33/19/05/949331905.db2.gz VVUFWMPNLGBWPM-DBIOUOCHSA-N -1 3 385.457 0.715 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575525046 949331931 /nfs/dbraw/zinc/33/19/31/949331931.db2.gz VVUFWMPNLGBWPM-DBIOUOCHSA-N -1 3 385.457 0.715 20 0 GCADHM CC(C)n1ccc(C(=O)NCC2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001574457770 949332206 /nfs/dbraw/zinc/33/22/06/949332206.db2.gz NVYXFNZPAYMHBP-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1ccc(C(=O)NCC2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001574457770 949332229 /nfs/dbraw/zinc/33/22/29/949332229.db2.gz NVYXFNZPAYMHBP-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](c1ncccn1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524999 949333909 /nfs/dbraw/zinc/33/39/09/949333909.db2.gz VGDQYKNSSICTBE-WCQYABFASA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H](c1ncccn1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524999 949333929 /nfs/dbraw/zinc/33/39/29/949333929.db2.gz VGDQYKNSSICTBE-WCQYABFASA-N -1 3 383.416 0.177 20 0 GCADHM CC(C)n1ccc(C(=O)N(CCO)CCNc2ncccc2-c2nnn[n-]2)n1 ZINC001574458238 949335423 /nfs/dbraw/zinc/33/54/23/949335423.db2.gz RGUGQXFDZOFWOW-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)n1ccc(C(=O)N(CCO)CCNc2ncccc2-c2nn[n-]n2)n1 ZINC001574458238 949335445 /nfs/dbraw/zinc/33/54/45/949335445.db2.gz RGUGQXFDZOFWOW-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)CC(=O)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001574109977 949342832 /nfs/dbraw/zinc/34/28/32/949342832.db2.gz KPOUWUWBFJTNQQ-AWEZNQCLSA-N -1 3 385.476 0.426 20 0 GCADHM C[C@@H](CNC(=O)Cc1c[nH]cn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942284 949343319 /nfs/dbraw/zinc/34/33/19/949343319.db2.gz NBBRLKSLJRMETF-ZETCQYMHSA-N -1 3 381.853 0.883 20 0 GCADHM C[C@](CNC(=O)Cc1c[nH]cn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574942262 949343365 /nfs/dbraw/zinc/34/33/65/949343365.db2.gz MNZOLWLLWYJXGL-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)CCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574458801 949345023 /nfs/dbraw/zinc/34/50/23/949345023.db2.gz YSHXRBJHRJAASV-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)CCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574458801 949345046 /nfs/dbraw/zinc/34/50/46/949345046.db2.gz YSHXRBJHRJAASV-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM C[C@H](c1ncccn1)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575525658 949346933 /nfs/dbraw/zinc/34/69/33/949346933.db2.gz ZAMHNNQGUNQDPP-DGCLKSJQSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@H](c1ncccn1)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575525658 949346955 /nfs/dbraw/zinc/34/69/55/949346955.db2.gz ZAMHNNQGUNQDPP-DGCLKSJQSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574703735 949347597 /nfs/dbraw/zinc/34/75/97/949347597.db2.gz XKBHCPNJJJNZLH-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574703735 949347619 /nfs/dbraw/zinc/34/76/19/949347619.db2.gz XKBHCPNJJJNZLH-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001574459348 949350345 /nfs/dbraw/zinc/35/03/45/949350345.db2.gz BKLKZQSXWSABDW-AWEZNQCLSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574459348 949350364 /nfs/dbraw/zinc/35/03/64/949350364.db2.gz BKLKZQSXWSABDW-AWEZNQCLSA-N -1 3 385.432 0.171 20 0 GCADHM C[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001575863708 949350633 /nfs/dbraw/zinc/35/06/33/949350633.db2.gz DAEHCBGTVDQNIA-QMMMGPOBSA-N -1 3 379.218 0.932 20 0 GCADHM C[C@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001575863708 949350653 /nfs/dbraw/zinc/35/06/53/949350653.db2.gz DAEHCBGTVDQNIA-QMMMGPOBSA-N -1 3 379.218 0.932 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574110154 949352107 /nfs/dbraw/zinc/35/21/07/949352107.db2.gz SFONTKKMMRNNRB-SMDDNHRTSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574110154 949352128 /nfs/dbraw/zinc/35/21/28/949352128.db2.gz SFONTKKMMRNNRB-SMDDNHRTSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N1CCN([C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001574110237 949356412 /nfs/dbraw/zinc/35/64/12/949356412.db2.gz VUUNMMCUFPCNGW-CQSZACIVSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573798801 949356878 /nfs/dbraw/zinc/35/68/78/949356878.db2.gz HAKLMVBRIKSJSV-CYBMUJFWSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573798801 949356898 /nfs/dbraw/zinc/35/68/98/949356898.db2.gz HAKLMVBRIKSJSV-CYBMUJFWSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575526078 949357213 /nfs/dbraw/zinc/35/72/13/949357213.db2.gz UKUCGNNISIPREW-SECBINFHSA-N -1 3 383.420 0.034 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575526078 949357227 /nfs/dbraw/zinc/35/72/27/949357227.db2.gz UKUCGNNISIPREW-SECBINFHSA-N -1 3 383.420 0.034 20 0 GCADHM CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001589615208 949357522 /nfs/dbraw/zinc/35/75/22/949357522.db2.gz KJEPJVQPLOZEID-OAHLLOKOSA-N -1 3 381.473 0.413 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575525937 949359569 /nfs/dbraw/zinc/35/95/69/949359569.db2.gz ZMYJTXFETAHCFM-NSHDSACASA-N -1 3 384.448 0.526 20 0 GCADHM CC1=CC[C@](C)(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)CC1 ZINC001575864893 949362950 /nfs/dbraw/zinc/36/29/50/949362950.db2.gz JPIIHWCZDVWQRN-CLCXKQKWSA-N -1 3 399.455 0.633 20 0 GCADHM CC1=CC[C@](C)(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)CC1 ZINC001575864893 949362973 /nfs/dbraw/zinc/36/29/73/949362973.db2.gz JPIIHWCZDVWQRN-CLCXKQKWSA-N -1 3 399.455 0.633 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573799077 949364107 /nfs/dbraw/zinc/36/41/07/949364107.db2.gz JQYSFWRZFKWNNN-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573799077 949364128 /nfs/dbraw/zinc/36/41/28/949364128.db2.gz JQYSFWRZFKWNNN-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)n1ccc(CC(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574460158 949371351 /nfs/dbraw/zinc/37/13/51/949371351.db2.gz RACFHBDQWDQBTJ-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)n1ccc(CC(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574460158 949371370 /nfs/dbraw/zinc/37/13/70/949371370.db2.gz RACFHBDQWDQBTJ-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM C[C@@]1(C(=O)N2CC3(C2)CCN(C(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)CCOC1 ZINC001575527411 949372741 /nfs/dbraw/zinc/37/27/41/949372741.db2.gz CBRFQDBHKRSFTH-QGZVFWFLSA-N -1 3 385.428 0.296 20 0 GCADHM C[C@@]1(C(=O)N2CC3(C2)CCN(C(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)CCOC1 ZINC001575527411 949372763 /nfs/dbraw/zinc/37/27/63/949372763.db2.gz CBRFQDBHKRSFTH-QGZVFWFLSA-N -1 3 385.428 0.296 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001574111477 949377045 /nfs/dbraw/zinc/37/70/45/949377045.db2.gz ICUHDEUBDQPFLA-SMDDNHRTSA-N -1 3 387.444 0.450 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001574111477 949377063 /nfs/dbraw/zinc/37/70/63/949377063.db2.gz ICUHDEUBDQPFLA-SMDDNHRTSA-N -1 3 387.444 0.450 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573799928 949378031 /nfs/dbraw/zinc/37/80/31/949378031.db2.gz RACKSSMHVWOHGS-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573799928 949378051 /nfs/dbraw/zinc/37/80/51/949378051.db2.gz RACKSSMHVWOHGS-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576155036 949379507 /nfs/dbraw/zinc/37/95/07/949379507.db2.gz SKEKEJAVONRVBD-TXEJJXNPSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H]1CCC[C@H](C)N1C(=O)CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576155036 949379528 /nfs/dbraw/zinc/37/95/28/949379528.db2.gz SKEKEJAVONRVBD-TXEJJXNPSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](NC(=O)C1CCOCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575262800 949382055 /nfs/dbraw/zinc/38/20/55/949382055.db2.gz CEEPBOWOFCBJJV-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C1CCOCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575262800 949382077 /nfs/dbraw/zinc/38/20/77/949382077.db2.gz CEEPBOWOFCBJJV-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576155201 949391791 /nfs/dbraw/zinc/39/17/91/949391791.db2.gz TWCNBZRSWHVDFX-PIGZYNQJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576155201 949391813 /nfs/dbraw/zinc/39/18/13/949391813.db2.gz TWCNBZRSWHVDFX-PIGZYNQJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1C(=O)NCCN1C(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001575865947 949392449 /nfs/dbraw/zinc/39/24/49/949392449.db2.gz PCBIPSWMLAAGAE-LLVKDONJSA-N -1 3 381.400 0.464 20 0 GCADHM C[C@@H]1C(=O)NCCN1C(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001575865947 949392474 /nfs/dbraw/zinc/39/24/74/949392474.db2.gz PCBIPSWMLAAGAE-LLVKDONJSA-N -1 3 381.400 0.464 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573800507 949392901 /nfs/dbraw/zinc/39/29/01/949392901.db2.gz XUUOBOAMHIFKER-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573800507 949392920 /nfs/dbraw/zinc/39/29/20/949392920.db2.gz XUUOBOAMHIFKER-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574944541 949397004 /nfs/dbraw/zinc/39/70/04/949397004.db2.gz DTSMTRYODHRRAG-JTQLQIEISA-N -1 3 382.432 0.427 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574944541 949397031 /nfs/dbraw/zinc/39/70/31/949397031.db2.gz DTSMTRYODHRRAG-JTQLQIEISA-N -1 3 382.432 0.427 20 0 GCADHM C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574944528 949397699 /nfs/dbraw/zinc/39/76/99/949397699.db2.gz DMZHSUJEZIQUIM-ZCFIWIBFSA-N -1 3 382.841 0.278 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574464176 949399441 /nfs/dbraw/zinc/39/94/41/949399441.db2.gz IDJWMILJHJGEGV-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574464176 949399462 /nfs/dbraw/zinc/39/94/62/949399462.db2.gz IDJWMILJHJGEGV-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM CC(C)CC(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574113789 949403170 /nfs/dbraw/zinc/40/31/70/949403170.db2.gz QDJNRMPDTBYHBW-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574113789 949403179 /nfs/dbraw/zinc/40/31/79/949403179.db2.gz QDJNRMPDTBYHBW-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001574464199 949403246 /nfs/dbraw/zinc/40/32/46/949403246.db2.gz JFCHIUPAZMGNKA-ZDUSSCGKSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001574464199 949403252 /nfs/dbraw/zinc/40/32/52/949403252.db2.gz JFCHIUPAZMGNKA-ZDUSSCGKSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1cnc(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c1 ZINC001574464323 949406500 /nfs/dbraw/zinc/40/65/00/949406500.db2.gz KJBIVMZYENXOFK-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1cnc(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c1 ZINC001574464323 949406513 /nfs/dbraw/zinc/40/65/13/949406513.db2.gz KJBIVMZYENXOFK-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574114142 949407486 /nfs/dbraw/zinc/40/74/86/949407486.db2.gz RJWCBMWPQZPFTL-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574114142 949407502 /nfs/dbraw/zinc/40/75/02/949407502.db2.gz RJWCBMWPQZPFTL-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575263868 949410747 /nfs/dbraw/zinc/41/07/47/949410747.db2.gz KNNXRVSBSNBPRK-NWDGAFQWSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575263868 949410759 /nfs/dbraw/zinc/41/07/59/949410759.db2.gz KNNXRVSBSNBPRK-NWDGAFQWSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CNC(=O)Cc1ncccc1F)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574945497 949411457 /nfs/dbraw/zinc/41/14/57/949411457.db2.gz KYSFVVLWMGIUOO-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CNC(=O)Cc1ncccc1F)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574945497 949411470 /nfs/dbraw/zinc/41/14/70/949411470.db2.gz KYSFVVLWMGIUOO-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576155592 949412916 /nfs/dbraw/zinc/41/29/16/949412916.db2.gz VLUQPBWWLDDLAS-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576155592 949412933 /nfs/dbraw/zinc/41/29/33/949412933.db2.gz VLUQPBWWLDDLAS-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576155598 949414247 /nfs/dbraw/zinc/41/42/47/949414247.db2.gz VLUQPBWWLDDLAS-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576155598 949414253 /nfs/dbraw/zinc/41/42/53/949414253.db2.gz VLUQPBWWLDDLAS-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2ncccc2-c2nnn[n-]2)c1 ZINC001574464633 949419671 /nfs/dbraw/zinc/41/96/71/949419671.db2.gz OXSXFVGCKBGRFB-LBPRGKRZSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2ncccc2-c2nn[n-]n2)c1 ZINC001574464633 949419687 /nfs/dbraw/zinc/41/96/87/949419687.db2.gz OXSXFVGCKBGRFB-LBPRGKRZSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573802847 949425426 /nfs/dbraw/zinc/42/54/26/949425426.db2.gz JWMYTEIGBKEQKM-HAQNSBGRSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573802847 949425436 /nfs/dbraw/zinc/42/54/36/949425436.db2.gz JWMYTEIGBKEQKM-HAQNSBGRSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1COCCO1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575264552 949427971 /nfs/dbraw/zinc/42/79/71/949427971.db2.gz OMBWUMAYMBCQBJ-BZNIZROVSA-N -1 3 390.419 0.358 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575534577 949431541 /nfs/dbraw/zinc/43/15/41/949431541.db2.gz OFLCLQLLJWCVPP-XIKOKIGWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575534577 949431551 /nfs/dbraw/zinc/43/15/51/949431551.db2.gz OFLCLQLLJWCVPP-XIKOKIGWSA-N -1 3 384.444 0.438 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1 ZINC001573803254 949435935 /nfs/dbraw/zinc/43/59/35/949435935.db2.gz OXGITRFJEGPGPJ-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1 ZINC001573803254 949435952 /nfs/dbraw/zinc/43/59/52/949435952.db2.gz OXGITRFJEGPGPJ-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)Cc1cncn1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574946712 949438375 /nfs/dbraw/zinc/43/83/75/949438375.db2.gz XPHNZDFHWSSZGR-SECBINFHSA-N -1 3 375.824 0.808 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001574465514 949438332 /nfs/dbraw/zinc/43/83/32/949438332.db2.gz ZMWPKRGNHOMDRG-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001574465514 949438351 /nfs/dbraw/zinc/43/83/51/949438351.db2.gz ZMWPKRGNHOMDRG-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM C[C@H](CNC(=O)Cc1cncn1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574946712 949438393 /nfs/dbraw/zinc/43/83/93/949438393.db2.gz XPHNZDFHWSSZGR-SECBINFHSA-N -1 3 375.824 0.808 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574465518 949438602 /nfs/dbraw/zinc/43/86/02/949438602.db2.gz ZTAWFVFNJXWJEW-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574465518 949438611 /nfs/dbraw/zinc/43/86/11/949438611.db2.gz ZTAWFVFNJXWJEW-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575264992 949439935 /nfs/dbraw/zinc/43/99/35/949439935.db2.gz RKRLJEAYVHNVAK-QMTHXVAHSA-N -1 3 387.419 0.078 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575264810 949440181 /nfs/dbraw/zinc/44/01/81/949440181.db2.gz QTDNTWXMTBTVKH-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575264810 949440198 /nfs/dbraw/zinc/44/01/98/949440198.db2.gz QTDNTWXMTBTVKH-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@](CNC(=O)Cc1cnoc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574947117 949442363 /nfs/dbraw/zinc/44/23/63/949442363.db2.gz ZNFFYKJKVHBUEP-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)Cc1cnoc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574947117 949442382 /nfs/dbraw/zinc/44/23/82/949442382.db2.gz ZNFFYKJKVHBUEP-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574465717 949444780 /nfs/dbraw/zinc/44/47/80/949444780.db2.gz XBGIEVVEGZLTKD-LBPRGKRZSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574465717 949444791 /nfs/dbraw/zinc/44/47/91/949444791.db2.gz XBGIEVVEGZLTKD-LBPRGKRZSA-N -1 3 388.407 0.986 20 0 GCADHM C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575265230 949445102 /nfs/dbraw/zinc/44/51/02/949445102.db2.gz SMDPTHILLQSIOE-YMTOWFKASA-N -1 3 389.391 0.051 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573803691 949448321 /nfs/dbraw/zinc/44/83/21/949448321.db2.gz QJHAENOJAZJFSU-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573803691 949448334 /nfs/dbraw/zinc/44/83/34/949448334.db2.gz QJHAENOJAZJFSU-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574947604 949452417 /nfs/dbraw/zinc/45/24/17/949452417.db2.gz DCSYNGFHTMBVBJ-GFCCVEGCSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574947604 949452427 /nfs/dbraw/zinc/45/24/27/949452427.db2.gz DCSYNGFHTMBVBJ-GFCCVEGCSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574468101 949455838 /nfs/dbraw/zinc/45/58/38/949455838.db2.gz JNEHGKWLRJHVLB-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574468101 949455856 /nfs/dbraw/zinc/45/58/56/949455856.db2.gz JNEHGKWLRJHVLB-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574468082 949457248 /nfs/dbraw/zinc/45/72/48/949457248.db2.gz IHWFTPGQZNOOTN-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574468082 949457259 /nfs/dbraw/zinc/45/72/59/949457259.db2.gz IHWFTPGQZNOOTN-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM CC(C)n1nccc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001574468092 949457429 /nfs/dbraw/zinc/45/74/29/949457429.db2.gz JDCZKVHYBXQHPL-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)n1nccc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001574468092 949457440 /nfs/dbraw/zinc/45/74/40/949457440.db2.gz JDCZKVHYBXQHPL-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573804479 949470041 /nfs/dbraw/zinc/47/00/41/949470041.db2.gz VYBJEKOBBBSWQR-GFCCVEGCSA-N -1 3 386.460 0.367 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573804479 949470051 /nfs/dbraw/zinc/47/00/51/949470051.db2.gz VYBJEKOBBBSWQR-GFCCVEGCSA-N -1 3 386.460 0.367 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573804612 949471617 /nfs/dbraw/zinc/47/16/17/949471617.db2.gz YBEYWFYBGXIPHD-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573804612 949471630 /nfs/dbraw/zinc/47/16/30/949471630.db2.gz YBEYWFYBGXIPHD-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574948685 949471867 /nfs/dbraw/zinc/47/18/67/949471867.db2.gz LXECGEZWFRHAFE-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574948685 949471886 /nfs/dbraw/zinc/47/18/86/949471886.db2.gz LXECGEZWFRHAFE-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574469174 949473449 /nfs/dbraw/zinc/47/34/49/949473449.db2.gz YHQHXIVKVLJWHR-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574469174 949473464 /nfs/dbraw/zinc/47/34/64/949473464.db2.gz YHQHXIVKVLJWHR-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576157175 949473614 /nfs/dbraw/zinc/47/36/14/949473614.db2.gz YXNFJASMGBSJTH-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576157175 949473627 /nfs/dbraw/zinc/47/36/27/949473627.db2.gz YXNFJASMGBSJTH-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574469118 949473951 /nfs/dbraw/zinc/47/39/51/949473951.db2.gz WTSWFMNHHOQVMO-LBPRGKRZSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574469118 949473962 /nfs/dbraw/zinc/47/39/62/949473962.db2.gz WTSWFMNHHOQVMO-LBPRGKRZSA-N -1 3 385.432 0.584 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ncccc1-c1nnn[n-]1 ZINC001574707819 949474542 /nfs/dbraw/zinc/47/45/42/949474542.db2.gz QPMQCSRGABALOD-MNOVXSKESA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ncccc1-c1nn[n-]n1 ZINC001574707819 949474550 /nfs/dbraw/zinc/47/45/50/949474550.db2.gz QPMQCSRGABALOD-MNOVXSKESA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574707813 949475748 /nfs/dbraw/zinc/47/57/48/949475748.db2.gz QPDISFHIDMZZCW-WDEREUQCSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574707813 949475755 /nfs/dbraw/zinc/47/57/55/949475755.db2.gz QPDISFHIDMZZCW-WDEREUQCSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575266306 949476262 /nfs/dbraw/zinc/47/62/62/949476262.db2.gz YHRCQBQSXYCBNQ-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575266306 949476277 /nfs/dbraw/zinc/47/62/77/949476277.db2.gz YHRCQBQSXYCBNQ-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574469359 949476345 /nfs/dbraw/zinc/47/63/45/949476345.db2.gz BZIQDCVSTDVBKC-TXEJJXNPSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574469359 949476357 /nfs/dbraw/zinc/47/63/57/949476357.db2.gz BZIQDCVSTDVBKC-TXEJJXNPSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574469300 949477320 /nfs/dbraw/zinc/47/73/20/949477320.db2.gz AGZNXRJVORFBLO-LBPRGKRZSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574469300 949477337 /nfs/dbraw/zinc/47/73/37/949477337.db2.gz AGZNXRJVORFBLO-LBPRGKRZSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574469362 949477558 /nfs/dbraw/zinc/47/75/58/949477558.db2.gz CCDFXJXOMAJFNQ-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574469362 949477574 /nfs/dbraw/zinc/47/75/74/949477574.db2.gz CCDFXJXOMAJFNQ-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574117897 949482868 /nfs/dbraw/zinc/48/28/68/949482868.db2.gz AOEGSACTVFERHA-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574117897 949482885 /nfs/dbraw/zinc/48/28/85/949482885.db2.gz AOEGSACTVFERHA-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574117870 949484449 /nfs/dbraw/zinc/48/44/49/949484449.db2.gz AAAYMFGFHINHSV-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574117870 949484468 /nfs/dbraw/zinc/48/44/68/949484468.db2.gz AAAYMFGFHINHSV-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575266826 949489288 /nfs/dbraw/zinc/48/92/88/949489288.db2.gz FGZBLNPRJNRTGR-NXEZZACHSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575266826 949489300 /nfs/dbraw/zinc/48/93/00/949489300.db2.gz FGZBLNPRJNRTGR-NXEZZACHSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575537190 949490662 /nfs/dbraw/zinc/49/06/62/949490662.db2.gz SXZWRXRHUDZBMZ-WBMJQRKESA-N -1 3 392.441 0.209 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575537190 949490674 /nfs/dbraw/zinc/49/06/74/949490674.db2.gz SXZWRXRHUDZBMZ-WBMJQRKESA-N -1 3 392.441 0.209 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575266835 949491144 /nfs/dbraw/zinc/49/11/44/949491144.db2.gz FGZBLNPRJNRTGR-ZJUUUORDSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575266835 949491153 /nfs/dbraw/zinc/49/11/53/949491153.db2.gz FGZBLNPRJNRTGR-ZJUUUORDSA-N -1 3 379.446 0.002 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574118366 949491862 /nfs/dbraw/zinc/49/18/62/949491862.db2.gz FOAXAOGSNCASBW-OKILXGFUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574118366 949491875 /nfs/dbraw/zinc/49/18/75/949491875.db2.gz FOAXAOGSNCASBW-OKILXGFUSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@]1(C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCCOC1 ZINC001575537238 949492562 /nfs/dbraw/zinc/49/25/62/949492562.db2.gz UIESMGJJVCNHIM-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCCOC1 ZINC001575537238 949492578 /nfs/dbraw/zinc/49/25/78/949492578.db2.gz UIESMGJJVCNHIM-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575267260 949497924 /nfs/dbraw/zinc/49/79/24/949497924.db2.gz HQHOROYBKYBDIM-RYUDHWBXSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575267260 949497946 /nfs/dbraw/zinc/49/79/46/949497946.db2.gz HQHOROYBKYBDIM-RYUDHWBXSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574470387 949500704 /nfs/dbraw/zinc/50/07/04/949500704.db2.gz BWBJNZZGIRWAPX-UWVGGRQHSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574470387 949500726 /nfs/dbraw/zinc/50/07/26/949500726.db2.gz BWBJNZZGIRWAPX-UWVGGRQHSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575537786 949502122 /nfs/dbraw/zinc/50/21/22/949502122.db2.gz AYOFDDUZQMAYEM-KPZWWZAWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575537786 949502137 /nfs/dbraw/zinc/50/21/37/949502137.db2.gz AYOFDDUZQMAYEM-KPZWWZAWSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573807985 949502971 /nfs/dbraw/zinc/50/29/71/949502971.db2.gz BUPFNLPWRRUYFS-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573807985 949502991 /nfs/dbraw/zinc/50/29/91/949502991.db2.gz BUPFNLPWRRUYFS-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871087 949503441 /nfs/dbraw/zinc/50/34/41/949503441.db2.gz YRXMBIVLKGFYIB-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871087 949503455 /nfs/dbraw/zinc/50/34/55/949503455.db2.gz YRXMBIVLKGFYIB-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573807937 949503469 /nfs/dbraw/zinc/50/34/69/949503469.db2.gz ANPSREYFVLLISN-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573807937 949503486 /nfs/dbraw/zinc/50/34/86/949503486.db2.gz ANPSREYFVLLISN-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cncnc1 ZINC001573807984 949503634 /nfs/dbraw/zinc/50/36/34/949503634.db2.gz BSQMJDGHBVWDES-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cncnc1 ZINC001573807984 949503654 /nfs/dbraw/zinc/50/36/54/949503654.db2.gz BSQMJDGHBVWDES-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949677 949504307 /nfs/dbraw/zinc/50/43/07/949504307.db2.gz AJBCEPWLPAGNFI-KWQFWETISA-N -1 3 378.824 0.135 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949677 949504329 /nfs/dbraw/zinc/50/43/29/949504329.db2.gz AJBCEPWLPAGNFI-KWQFWETISA-N -1 3 378.824 0.135 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574949715 949504460 /nfs/dbraw/zinc/50/44/60/949504460.db2.gz BEFHYRBEURXIPY-NSHDSACASA-N -1 3 385.436 0.236 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574949715 949504477 /nfs/dbraw/zinc/50/44/77/949504477.db2.gz BEFHYRBEURXIPY-NSHDSACASA-N -1 3 385.436 0.236 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnnc1 ZINC001573807992 949505329 /nfs/dbraw/zinc/50/53/29/949505329.db2.gz BWLPLXDRHIWMTQ-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnnc1 ZINC001573807992 949505348 /nfs/dbraw/zinc/50/53/48/949505348.db2.gz BWLPLXDRHIWMTQ-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ncccc1-c1nnn[n-]1 ZINC001574120833 949505472 /nfs/dbraw/zinc/50/54/72/949505472.db2.gz MVPRCKAZCKVWKB-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ncccc1-c1nn[n-]n1 ZINC001574120833 949505486 /nfs/dbraw/zinc/50/54/86/949505486.db2.gz MVPRCKAZCKVWKB-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)COCC1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808029 949506457 /nfs/dbraw/zinc/50/64/57/949506457.db2.gz COGIDDXBVBJKKX-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)COCC1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808029 949506478 /nfs/dbraw/zinc/50/64/78/949506478.db2.gz COGIDDXBVBJKKX-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnccn1 ZINC001573808158 949507346 /nfs/dbraw/zinc/50/73/46/949507346.db2.gz DBZHFEPOEQPCEA-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnccn1 ZINC001573808158 949507364 /nfs/dbraw/zinc/50/73/64/949507364.db2.gz DBZHFEPOEQPCEA-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1csnn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808471 949512162 /nfs/dbraw/zinc/51/21/62/949512162.db2.gz GJDVWKLXGOOYOD-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1csnn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808471 949512172 /nfs/dbraw/zinc/51/21/72/949512172.db2.gz GJDVWKLXGOOYOD-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574470749 949513338 /nfs/dbraw/zinc/51/33/38/949513338.db2.gz TYJHNIZUAQKHRY-XYPYZODXSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574470749 949513359 /nfs/dbraw/zinc/51/33/59/949513359.db2.gz TYJHNIZUAQKHRY-XYPYZODXSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1=COCCO1 ZINC001573808466 949514200 /nfs/dbraw/zinc/51/42/00/949514200.db2.gz GFQPDTSUXDQTCK-ZDUSSCGKSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1=COCCO1 ZINC001573808466 949514218 /nfs/dbraw/zinc/51/42/18/949514218.db2.gz GFQPDTSUXDQTCK-ZDUSSCGKSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808215 949514262 /nfs/dbraw/zinc/51/42/62/949514262.db2.gz FAOQRAAQDCPEPM-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808215 949514273 /nfs/dbraw/zinc/51/42/73/949514273.db2.gz FAOQRAAQDCPEPM-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574710770 949515756 /nfs/dbraw/zinc/51/57/56/949515756.db2.gz BBTDESKSEODDCO-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574710770 949515775 /nfs/dbraw/zinc/51/57/75/949515775.db2.gz BBTDESKSEODDCO-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808647 949516467 /nfs/dbraw/zinc/51/64/67/949516467.db2.gz HPLDXKVHFXIYTN-QWHCGFSZSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808647 949516482 /nfs/dbraw/zinc/51/64/82/949516482.db2.gz HPLDXKVHFXIYTN-QWHCGFSZSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574949904 949519669 /nfs/dbraw/zinc/51/96/69/949519669.db2.gz GRQYMPNLSUMAGX-LLVKDONJSA-N -1 3 382.432 0.349 20 0 GCADHM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574949904 949519675 /nfs/dbraw/zinc/51/96/75/949519675.db2.gz GRQYMPNLSUMAGX-LLVKDONJSA-N -1 3 382.432 0.349 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575871863 949523830 /nfs/dbraw/zinc/52/38/30/949523830.db2.gz CRPWPUWITIGCMF-AAEUAGOBSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575871863 949523849 /nfs/dbraw/zinc/52/38/49/949523849.db2.gz CRPWPUWITIGCMF-AAEUAGOBSA-N -1 3 387.444 0.609 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574122487 949525287 /nfs/dbraw/zinc/52/52/87/949525287.db2.gz XVTJHNZYCVAJGQ-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574122487 949525304 /nfs/dbraw/zinc/52/53/04/949525304.db2.gz XVTJHNZYCVAJGQ-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808939 949526500 /nfs/dbraw/zinc/52/65/00/949526500.db2.gz JRWGSYCJMKXYCZ-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808939 949526512 /nfs/dbraw/zinc/52/65/12/949526512.db2.gz JRWGSYCJMKXYCZ-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809007 949527397 /nfs/dbraw/zinc/52/73/97/949527397.db2.gz KQNAEMUEKZBITL-NSHDSACASA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnns1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808978 949528795 /nfs/dbraw/zinc/52/87/95/949528795.db2.gz KCQOGQWPOSEQCD-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnns1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808978 949528806 /nfs/dbraw/zinc/52/88/06/949528806.db2.gz KCQOGQWPOSEQCD-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)n1nnc(NC(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)n1 ZINC001574471291 949530738 /nfs/dbraw/zinc/53/07/38/949530738.db2.gz LQWKLQQXSZFFQF-UHFFFAOYSA-N -1 3 384.408 0.183 20 0 GCADHM CC(C)n1nnc(NC(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)n1 ZINC001574471291 949530751 /nfs/dbraw/zinc/53/07/51/949530751.db2.gz LQWKLQQXSZFFQF-UHFFFAOYSA-N -1 3 384.408 0.183 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnnc1 ZINC001573809060 949531337 /nfs/dbraw/zinc/53/13/37/949531337.db2.gz MDOKKKAHZFJIMS-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnnc1 ZINC001573809060 949531355 /nfs/dbraw/zinc/53/13/55/949531355.db2.gz MDOKKKAHZFJIMS-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711274 949531419 /nfs/dbraw/zinc/53/14/19/949531419.db2.gz FSNALQWOORGVHA-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711274 949531433 /nfs/dbraw/zinc/53/14/33/949531433.db2.gz FSNALQWOORGVHA-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576163582 949533573 /nfs/dbraw/zinc/53/35/73/949533573.db2.gz CDFQRBQTVNCODS-OCCSQVGLSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576163582 949533594 /nfs/dbraw/zinc/53/35/94/949533594.db2.gz CDFQRBQTVNCODS-OCCSQVGLSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001573809185 949534537 /nfs/dbraw/zinc/53/45/37/949534537.db2.gz MNDFXHQZYWWNJD-STQMWFEESA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001573809185 949534555 /nfs/dbraw/zinc/53/45/55/949534555.db2.gz MNDFXHQZYWWNJD-STQMWFEESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711400 949536232 /nfs/dbraw/zinc/53/62/32/949536232.db2.gz GUAXKXGLCLAILO-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711400 949536242 /nfs/dbraw/zinc/53/62/42/949536242.db2.gz GUAXKXGLCLAILO-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ccon1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809376 949536729 /nfs/dbraw/zinc/53/67/29/949536729.db2.gz OWLYMRWTOBFSKT-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ccon1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809376 949536752 /nfs/dbraw/zinc/53/67/52/949536752.db2.gz OWLYMRWTOBFSKT-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccnnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809355 949538307 /nfs/dbraw/zinc/53/83/07/949538307.db2.gz OLJWEJOGBIRDSK-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccnnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809355 949538331 /nfs/dbraw/zinc/53/83/31/949538331.db2.gz OLJWEJOGBIRDSK-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)n1ncnc1CNC[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574471777 949538723 /nfs/dbraw/zinc/53/87/23/949538723.db2.gz NANHTFHITJNENC-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CNC[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574471777 949538741 /nfs/dbraw/zinc/53/87/41/949538741.db2.gz NANHTFHITJNENC-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CC1(C(=O)N2CCC[C@H](N(CCO)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001575539141 949540999 /nfs/dbraw/zinc/54/09/99/949540999.db2.gz NDLCHOGEVHSHDG-ZDUSSCGKSA-N -1 3 387.444 0.420 20 0 GCADHM CC1(C(=O)N2CCC[C@H](N(CCO)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001575539141 949541009 /nfs/dbraw/zinc/54/10/09/949541009.db2.gz NDLCHOGEVHSHDG-ZDUSSCGKSA-N -1 3 387.444 0.420 20 0 GCADHM CC(C)n1ncnc1CNC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001574472345 949545812 /nfs/dbraw/zinc/54/58/12/949545812.db2.gz SQUPMDKNONJJSG-UHFFFAOYSA-N -1 3 384.448 0.810 20 0 GCADHM CC(C)n1ncnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574472347 949547395 /nfs/dbraw/zinc/54/73/95/949547395.db2.gz SXBOAHQFMKUAHX-HBYGRHMLSA-N -1 3 382.432 0.227 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCOC1 ZINC001573809566 949547501 /nfs/dbraw/zinc/54/75/01/949547501.db2.gz SNSPFXCWSMSPBT-GXFFZTMASA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCOC1 ZINC001573809566 949547519 /nfs/dbraw/zinc/54/75/19/949547519.db2.gz SNSPFXCWSMSPBT-GXFFZTMASA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)n1ncnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574472347 949547418 /nfs/dbraw/zinc/54/74/18/949547418.db2.gz SXBOAHQFMKUAHX-HBYGRHMLSA-N -1 3 382.432 0.227 20 0 GCADHM CC(C)n1ncnc1CN[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574472207 949548324 /nfs/dbraw/zinc/54/83/24/949548324.db2.gz RYJJHMLMCKRILH-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809507 949548493 /nfs/dbraw/zinc/54/84/93/949548493.db2.gz QUQZFAOCJVPWNN-QOBDMFJFSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809507 949548515 /nfs/dbraw/zinc/54/85/15/949548515.db2.gz QUQZFAOCJVPWNN-QOBDMFJFSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H]1CCOC1 ZINC001573809533 949549001 /nfs/dbraw/zinc/54/90/01/949549001.db2.gz RSDNRLZNQDCGPM-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CCOC1 ZINC001573809533 949549013 /nfs/dbraw/zinc/54/90/13/949549013.db2.gz RSDNRLZNQDCGPM-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576164238 949549660 /nfs/dbraw/zinc/54/96/60/949549660.db2.gz FSFMGJQEEZHNDE-FZMZJTMJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576164238 949549678 /nfs/dbraw/zinc/54/96/78/949549678.db2.gz FSFMGJQEEZHNDE-FZMZJTMJSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cn1cccn1 ZINC001573809713 949549970 /nfs/dbraw/zinc/54/99/70/949549970.db2.gz UBZRTWVHMYFGCH-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1cccn1 ZINC001573809713 949549986 /nfs/dbraw/zinc/54/99/86/949549986.db2.gz UBZRTWVHMYFGCH-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711705 949549963 /nfs/dbraw/zinc/54/99/63/949549963.db2.gz KQXYYDFQBDXEMJ-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711705 949549977 /nfs/dbraw/zinc/54/99/77/949549977.db2.gz KQXYYDFQBDXEMJ-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)CC(=O)NCc1nc(CNc2ccc(-c3nnn[n-]3)nn2)cc(=O)[nH]1 ZINC001574123288 949551676 /nfs/dbraw/zinc/55/16/76/949551676.db2.gz RIEWVZRSWSARPY-UHFFFAOYSA-N -1 3 384.404 0.427 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cncnc1 ZINC001573809951 949557626 /nfs/dbraw/zinc/55/76/26/949557626.db2.gz WVHOTBVRCXGDLF-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cncnc1 ZINC001573809951 949557642 /nfs/dbraw/zinc/55/76/42/949557642.db2.gz WVHOTBVRCXGDLF-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC1(C(=O)N2CCC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575539743 949558218 /nfs/dbraw/zinc/55/82/18/949558218.db2.gz SKPVCHZBJMCUKQ-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575539743 949558235 /nfs/dbraw/zinc/55/82/35/949558235.db2.gz SKPVCHZBJMCUKQ-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575872739 949559161 /nfs/dbraw/zinc/55/91/61/949559161.db2.gz LEJHVSQAZFCRMV-RYUDHWBXSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575872739 949559186 /nfs/dbraw/zinc/55/91/86/949559186.db2.gz LEJHVSQAZFCRMV-RYUDHWBXSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)NC(N)=O ZINC001574472839 949559418 /nfs/dbraw/zinc/55/94/18/949559418.db2.gz WLRFBAAFWUBHLB-HZMBPMFUSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)NC(N)=O ZINC001574472839 949559434 /nfs/dbraw/zinc/55/94/34/949559434.db2.gz WLRFBAAFWUBHLB-HZMBPMFUSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711860 949560570 /nfs/dbraw/zinc/56/05/70/949560570.db2.gz NGGAYPQODRCUFP-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711860 949560583 /nfs/dbraw/zinc/56/05/83/949560583.db2.gz NGGAYPQODRCUFP-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576164863 949561207 /nfs/dbraw/zinc/56/12/07/949561207.db2.gz HZYNMHCIPNOPOZ-GXTWGEPZSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576164863 949561223 /nfs/dbraw/zinc/56/12/23/949561223.db2.gz HZYNMHCIPNOPOZ-GXTWGEPZSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576164967 949564951 /nfs/dbraw/zinc/56/49/51/949564951.db2.gz IZCGETDMWBORRG-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576164967 949564965 /nfs/dbraw/zinc/56/49/65/949564965.db2.gz IZCGETDMWBORRG-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)n1ncnc1CN1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574473270 949569093 /nfs/dbraw/zinc/56/90/93/949569093.db2.gz ZPQHYKMXDSOJGP-UHFFFAOYSA-N -1 3 384.448 0.715 20 0 GCADHM CC(C)n1ncnc1CN1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574473270 949569115 /nfs/dbraw/zinc/56/91/15/949569115.db2.gz ZPQHYKMXDSOJGP-UHFFFAOYSA-N -1 3 384.448 0.715 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574475581 949570506 /nfs/dbraw/zinc/57/05/06/949570506.db2.gz BHHZSYHLKJKFJT-WDEREUQCSA-N -1 3 392.489 0.408 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574475581 949570520 /nfs/dbraw/zinc/57/05/20/949570520.db2.gz BHHZSYHLKJKFJT-WDEREUQCSA-N -1 3 392.489 0.408 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575540644 949571618 /nfs/dbraw/zinc/57/16/18/949571618.db2.gz YTQVECYWDDHNTC-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575540644 949571638 /nfs/dbraw/zinc/57/16/38/949571638.db2.gz YTQVECYWDDHNTC-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574475571 949572809 /nfs/dbraw/zinc/57/28/09/949572809.db2.gz BHHZSYHLKJKFJT-GHMZBOCLSA-N -1 3 392.489 0.408 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574475571 949572823 /nfs/dbraw/zinc/57/28/23/949572823.db2.gz BHHZSYHLKJKFJT-GHMZBOCLSA-N -1 3 392.489 0.408 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575270151 949578336 /nfs/dbraw/zinc/57/83/36/949578336.db2.gz BLZGEDCWYGGXJF-SNVBAGLBSA-N -1 3 390.423 0.001 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CN1CCOCC1 ZINC001573810827 949581213 /nfs/dbraw/zinc/58/12/13/949581213.db2.gz DMNQJXZPOWLMJT-CQSZACIVSA-N -1 3 388.476 0.537 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CN1CCOCC1 ZINC001573810827 949581227 /nfs/dbraw/zinc/58/12/27/949581227.db2.gz DMNQJXZPOWLMJT-CQSZACIVSA-N -1 3 388.476 0.537 20 0 GCADHM CC1(C(=O)N2CCCO[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCC1 ZINC001575544475 949581597 /nfs/dbraw/zinc/58/15/97/949581597.db2.gz DFPWHZMHXYBIDL-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCCO[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCC1 ZINC001575544475 949581618 /nfs/dbraw/zinc/58/16/18/949581618.db2.gz DFPWHZMHXYBIDL-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575270270 949582056 /nfs/dbraw/zinc/58/20/56/949582056.db2.gz YZQWDCNNVLQCIO-VXGBXAGGSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575270270 949582077 /nfs/dbraw/zinc/58/20/77/949582077.db2.gz YZQWDCNNVLQCIO-VXGBXAGGSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575270267 949582722 /nfs/dbraw/zinc/58/27/22/949582722.db2.gz YZQWDCNNVLQCIO-RYUDHWBXSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575270267 949582739 /nfs/dbraw/zinc/58/27/39/949582739.db2.gz YZQWDCNNVLQCIO-RYUDHWBXSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574476002 949583474 /nfs/dbraw/zinc/58/34/74/949583474.db2.gz DYQDAZYUYAMUJE-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574476002 949583489 /nfs/dbraw/zinc/58/34/89/949583489.db2.gz DYQDAZYUYAMUJE-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CCCn1cncn1 ZINC001575270368 949584442 /nfs/dbraw/zinc/58/44/42/949584442.db2.gz CIZXQMRXJOHCIJ-WDEREUQCSA-N -1 3 388.411 0.778 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CCCn1cncn1 ZINC001575270368 949584456 /nfs/dbraw/zinc/58/44/56/949584456.db2.gz CIZXQMRXJOHCIJ-WDEREUQCSA-N -1 3 388.411 0.778 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575270342 949584787 /nfs/dbraw/zinc/58/47/87/949584787.db2.gz CHXPSWYUJCVDSW-JTQLQIEISA-N -1 3 377.474 0.520 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575873708 949586596 /nfs/dbraw/zinc/58/65/96/949586596.db2.gz CARXZWWVENJBTJ-GXTWGEPZSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575873708 949586616 /nfs/dbraw/zinc/58/66/16/949586616.db2.gz CARXZWWVENJBTJ-GXTWGEPZSA-N -1 3 382.428 0.806 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001574125471 949587192 /nfs/dbraw/zinc/58/71/92/949587192.db2.gz PWJYYFUCURMTPD-OCCSQVGLSA-N -1 3 386.460 0.812 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001574125471 949587211 /nfs/dbraw/zinc/58/72/11/949587211.db2.gz PWJYYFUCURMTPD-OCCSQVGLSA-N -1 3 386.460 0.812 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574476108 949587642 /nfs/dbraw/zinc/58/76/42/949587642.db2.gz AFXHECIDRSZGQT-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574476108 949587669 /nfs/dbraw/zinc/58/76/69/949587669.db2.gz AFXHECIDRSZGQT-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)CCNC(=O)C1 ZINC001575544813 949588806 /nfs/dbraw/zinc/58/88/06/949588806.db2.gz GGHNIWAWYKJACK-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)CCNC(=O)C1 ZINC001575544813 949588828 /nfs/dbraw/zinc/58/88/28/949588828.db2.gz GGHNIWAWYKJACK-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574956655 949589641 /nfs/dbraw/zinc/58/96/41/949589641.db2.gz LJESXHDTLPSFRZ-GWCFXTLKSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574956655 949589654 /nfs/dbraw/zinc/58/96/54/949589654.db2.gz LJESXHDTLPSFRZ-GWCFXTLKSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CCC(=O)NC1 ZINC001575544897 949591079 /nfs/dbraw/zinc/59/10/79/949591079.db2.gz HBUDNVQVXFBBEI-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCC(=O)NC1 ZINC001575544897 949591093 /nfs/dbraw/zinc/59/10/93/949591093.db2.gz HBUDNVQVXFBBEI-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576166996 949594402 /nfs/dbraw/zinc/59/44/02/949594402.db2.gz OBLRKZFEQHLFJI-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576166996 949594435 /nfs/dbraw/zinc/59/44/35/949594435.db2.gz OBLRKZFEQHLFJI-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574956819 949595836 /nfs/dbraw/zinc/59/58/36/949595836.db2.gz NURUKZRLCHBAMY-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574956819 949595858 /nfs/dbraw/zinc/59/58/58/949595858.db2.gz NURUKZRLCHBAMY-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)C[C@@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574125836 949597451 /nfs/dbraw/zinc/59/74/51/949597451.db2.gz SZXDAGNNUROOAU-AWEZNQCLSA-N -1 3 384.448 0.693 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575873996 949602102 /nfs/dbraw/zinc/60/21/02/949602102.db2.gz DGMVXRHPKNTIKV-GXTWGEPZSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575873996 949602110 /nfs/dbraw/zinc/60/21/10/949602110.db2.gz DGMVXRHPKNTIKV-GXTWGEPZSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575874000 949602355 /nfs/dbraw/zinc/60/23/55/949602355.db2.gz DGMVXRHPKNTIKV-OCCSQVGLSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874000 949602364 /nfs/dbraw/zinc/60/23/64/949602364.db2.gz DGMVXRHPKNTIKV-OCCSQVGLSA-N -1 3 382.428 0.806 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575545615 949602455 /nfs/dbraw/zinc/60/24/55/949602455.db2.gz MOHZGIPQFYSZIT-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575545615 949602457 /nfs/dbraw/zinc/60/24/57/949602457.db2.gz MOHZGIPQFYSZIT-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574957201 949602608 /nfs/dbraw/zinc/60/26/08/949602608.db2.gz SKHHYECSMAFQKN-RISCZKNCSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574957201 949602618 /nfs/dbraw/zinc/60/26/18/949602618.db2.gz SKHHYECSMAFQKN-RISCZKNCSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574713442 949603594 /nfs/dbraw/zinc/60/35/94/949603594.db2.gz XNMBQMNLPXJLGO-GHMZBOCLSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](C)(CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574476517 949605341 /nfs/dbraw/zinc/60/53/41/949605341.db2.gz DNLNTRHEBSHDNA-APPDUMDISA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](C)(CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574476517 949605349 /nfs/dbraw/zinc/60/53/49/949605349.db2.gz DNLNTRHEBSHDNA-APPDUMDISA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575271101 949609908 /nfs/dbraw/zinc/60/99/08/949609908.db2.gz IHFZPIVYHVQAKC-WDEREUQCSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575271101 949609927 /nfs/dbraw/zinc/60/99/27/949609927.db2.gz IHFZPIVYHVQAKC-WDEREUQCSA-N -1 3 381.462 0.392 20 0 GCADHM CC(C)N(CCN(C)c1ccc(-c2nnn[n-]2)cn1)C(=O)C[C@@H](C)NC(N)=O ZINC001574476617 949611933 /nfs/dbraw/zinc/61/19/33/949611933.db2.gz FCZRUQVLBYAPOH-GFCCVEGCSA-N -1 3 389.464 0.382 20 0 GCADHM CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)cn1)C(=O)C[C@@H](C)NC(N)=O ZINC001574476617 949611942 /nfs/dbraw/zinc/61/19/42/949611942.db2.gz FCZRUQVLBYAPOH-GFCCVEGCSA-N -1 3 389.464 0.382 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574127388 949614625 /nfs/dbraw/zinc/61/46/25/949614625.db2.gz GTOKCSAGGASAEU-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574127388 949614640 /nfs/dbraw/zinc/61/46/40/949614640.db2.gz GTOKCSAGGASAEU-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CC(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574476697 949615142 /nfs/dbraw/zinc/61/51/42/949615142.db2.gz GIFLJTSLXYTGII-LLVKDONJSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574476697 949615155 /nfs/dbraw/zinc/61/51/55/949615155.db2.gz GIFLJTSLXYTGII-LLVKDONJSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@]1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575546998 949615932 /nfs/dbraw/zinc/61/59/32/949615932.db2.gz VBWJCDIGGVQYED-KDOFPFPSSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@]1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575546998 949615945 /nfs/dbraw/zinc/61/59/45/949615945.db2.gz VBWJCDIGGVQYED-KDOFPFPSSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)n1ccnc1 ZINC001574476751 949618490 /nfs/dbraw/zinc/61/84/90/949618490.db2.gz JJYMQQUQSPDCNM-OCCSQVGLSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)n1ccnc1 ZINC001574476751 949618501 /nfs/dbraw/zinc/61/85/01/949618501.db2.gz JJYMQQUQSPDCNM-OCCSQVGLSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574476792 949618959 /nfs/dbraw/zinc/61/89/59/949618959.db2.gz KGRMDVNEZKCTBP-DTWKUNHWSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574476792 949618974 /nfs/dbraw/zinc/61/89/74/949618974.db2.gz KGRMDVNEZKCTBP-DTWKUNHWSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574476766 949619424 /nfs/dbraw/zinc/61/94/24/949619424.db2.gz JQTWCQGYMGYHLJ-NSHDSACASA-N -1 3 389.464 0.605 20 0 GCADHM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574476766 949619445 /nfs/dbraw/zinc/61/94/45/949619445.db2.gz JQTWCQGYMGYHLJ-NSHDSACASA-N -1 3 389.464 0.605 20 0 GCADHM C[C@H](NC(=O)CCCn1cccn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575271577 949622520 /nfs/dbraw/zinc/62/25/20/949622520.db2.gz KZLCRWFDSSOFLH-RYUDHWBXSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575874824 949622428 /nfs/dbraw/zinc/62/24/28/949622428.db2.gz HESDQNIENAXULF-BXUZGUMPSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COC2CCCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575874824 949622445 /nfs/dbraw/zinc/62/24/45/949622445.db2.gz HESDQNIENAXULF-BXUZGUMPSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H](NC(=O)CCCn1cccn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271577 949622536 /nfs/dbraw/zinc/62/25/36/949622536.db2.gz KZLCRWFDSSOFLH-RYUDHWBXSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575874840 949623148 /nfs/dbraw/zinc/62/31/48/949623148.db2.gz HKFUEFFMYHQVQG-DZGCQCFKSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575874840 949623171 /nfs/dbraw/zinc/62/31/71/949623171.db2.gz HKFUEFFMYHQVQG-DZGCQCFKSA-N -1 3 386.460 0.067 20 0 GCADHM CC(C)(C)[C@H](CNCc1csnn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573812700 949623560 /nfs/dbraw/zinc/62/35/60/949623560.db2.gz SWGFTKMSJDUOSM-LBPRGKRZSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574476852 949624002 /nfs/dbraw/zinc/62/40/02/949624002.db2.gz KPIZFNAPDRBGNI-NSHDSACASA-N -1 3 389.464 0.605 20 0 GCADHM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574476852 949624010 /nfs/dbraw/zinc/62/40/10/949624010.db2.gz KPIZFNAPDRBGNI-NSHDSACASA-N -1 3 389.464 0.605 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001576168030 949628023 /nfs/dbraw/zinc/62/80/23/949628023.db2.gz BGHRSCNGEGQMSP-RNCFNFMXSA-N -1 3 386.395 0.872 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575875235 949628877 /nfs/dbraw/zinc/62/88/77/949628877.db2.gz VQHPEAUNANPTRD-AAEUAGOBSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575875235 949628889 /nfs/dbraw/zinc/62/88/89/949628889.db2.gz VQHPEAUNANPTRD-AAEUAGOBSA-N -1 3 387.444 0.609 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574129106 949630420 /nfs/dbraw/zinc/63/04/20/949630420.db2.gz QGTIUVAGDYKMJE-CYBMUJFWSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574129106 949630434 /nfs/dbraw/zinc/63/04/34/949630434.db2.gz QGTIUVAGDYKMJE-CYBMUJFWSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575272064 949633643 /nfs/dbraw/zinc/63/36/43/949633643.db2.gz NBIUDDPTTSOVKY-HTQZYQBOSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575272064 949633656 /nfs/dbraw/zinc/63/36/56/949633656.db2.gz NBIUDDPTTSOVKY-HTQZYQBOSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574477042 949634204 /nfs/dbraw/zinc/63/42/04/949634204.db2.gz NMVSDZWPUWMLMU-NSHDSACASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574477042 949634217 /nfs/dbraw/zinc/63/42/17/949634217.db2.gz NMVSDZWPUWMLMU-NSHDSACASA-N -1 3 387.448 0.136 20 0 GCADHM CC1(C(=O)N2CCN([C@H]3CCN(c4ccc(-c5nnn[n-]5)cn4)C3)CC2)CC1 ZINC001575547633 949635110 /nfs/dbraw/zinc/63/51/10/949635110.db2.gz FOLBLAHQTIKMAJ-HNNXBMFYSA-N -1 3 382.472 0.785 20 0 GCADHM CC1(C(=O)N2CCN([C@H]3CCN(c4ccc(-c5nn[n-]n5)cn4)C3)CC2)CC1 ZINC001575547633 949635119 /nfs/dbraw/zinc/63/51/19/949635119.db2.gz FOLBLAHQTIKMAJ-HNNXBMFYSA-N -1 3 382.472 0.785 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CCC(=O)NC1 ZINC001575547731 949638049 /nfs/dbraw/zinc/63/80/49/949638049.db2.gz FSRTXUGSDSVTAR-DIFFPNOSSA-N -1 3 388.407 0.330 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CCC(=O)NC1 ZINC001575547731 949638061 /nfs/dbraw/zinc/63/80/61/949638061.db2.gz FSRTXUGSDSVTAR-DIFFPNOSSA-N -1 3 388.407 0.330 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575547760 949639295 /nfs/dbraw/zinc/63/92/95/949639295.db2.gz GNPLHDGSSDESDF-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575547760 949639311 /nfs/dbraw/zinc/63/93/11/949639311.db2.gz GNPLHDGSSDESDF-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574957971 949640487 /nfs/dbraw/zinc/64/04/87/949640487.db2.gz KGEYMERGQNBEMY-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574957971 949640497 /nfs/dbraw/zinc/64/04/97/949640497.db2.gz KGEYMERGQNBEMY-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575547768 949640743 /nfs/dbraw/zinc/64/07/43/949640743.db2.gz GWGLXOUYTAYGDY-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575547768 949640757 /nfs/dbraw/zinc/64/07/57/949640757.db2.gz GWGLXOUYTAYGDY-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](NC(=O)CCC1CC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575272354 949642845 /nfs/dbraw/zinc/64/28/45/949642845.db2.gz POYIXJVWWQUTMB-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CCC1CC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575272354 949642865 /nfs/dbraw/zinc/64/28/65/949642865.db2.gz POYIXJVWWQUTMB-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC(F)F)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575876271 949645161 /nfs/dbraw/zinc/64/51/61/949645161.db2.gz JRLIGTZOLDPXBC-DTWKUNHWSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC(F)F)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575876271 949645171 /nfs/dbraw/zinc/64/51/71/949645171.db2.gz JRLIGTZOLDPXBC-DTWKUNHWSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876619 949645901 /nfs/dbraw/zinc/64/59/01/949645901.db2.gz JZRWMNWWGLZAKB-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876619 949645914 /nfs/dbraw/zinc/64/59/14/949645914.db2.gz JZRWMNWWGLZAKB-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715196 949648209 /nfs/dbraw/zinc/64/82/09/949648209.db2.gz HMTZVTXUMKDRCX-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715196 949648225 /nfs/dbraw/zinc/64/82/25/949648225.db2.gz HMTZVTXUMKDRCX-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM CC1(C(=O)N2CCN([C@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C3)CC2)CC1 ZINC001575547976 949650927 /nfs/dbraw/zinc/65/09/27/949650927.db2.gz OSOZIDYAWHLJAN-ZDUSSCGKSA-N -1 3 383.460 0.180 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001576168936 949652471 /nfs/dbraw/zinc/65/24/71/949652471.db2.gz DADRDMWQGFEQQK-GFCCVEGCSA-N -1 3 378.458 0.794 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001576168936 949652490 /nfs/dbraw/zinc/65/24/90/949652490.db2.gz DADRDMWQGFEQQK-GFCCVEGCSA-N -1 3 378.458 0.794 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574477338 949653600 /nfs/dbraw/zinc/65/36/00/949653600.db2.gz NBXCGIAULIBXDI-XHDPSFHLSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574477338 949653609 /nfs/dbraw/zinc/65/36/09/949653609.db2.gz NBXCGIAULIBXDI-XHDPSFHLSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573815609 949655267 /nfs/dbraw/zinc/65/52/67/949655267.db2.gz JFWYXVJZMWHUBB-OLZOCXBDSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573815609 949655277 /nfs/dbraw/zinc/65/52/77/949655277.db2.gz JFWYXVJZMWHUBB-OLZOCXBDSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001574477451 949658168 /nfs/dbraw/zinc/65/81/68/949658168.db2.gz RGUUGXRGFGDDTD-ZFWWWQNUSA-N -1 3 384.444 0.946 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001574477451 949658182 /nfs/dbraw/zinc/65/81/82/949658182.db2.gz RGUUGXRGFGDDTD-ZFWWWQNUSA-N -1 3 384.444 0.946 20 0 GCADHM CC(C)C[C@H](C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574131387 949658427 /nfs/dbraw/zinc/65/84/27/949658427.db2.gz DNXXXEKEGJLUCA-STQMWFEESA-N -1 3 391.476 0.768 20 0 GCADHM CC(C)C[C@H](C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574131387 949658437 /nfs/dbraw/zinc/65/84/37/949658437.db2.gz DNXXXEKEGJLUCA-STQMWFEESA-N -1 3 391.476 0.768 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574477510 949659983 /nfs/dbraw/zinc/65/99/83/949659983.db2.gz RUPJFZOXFKYIJI-FZMZJTMJSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574477510 949659998 /nfs/dbraw/zinc/65/99/98/949659998.db2.gz RUPJFZOXFKYIJI-FZMZJTMJSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574477504 949660524 /nfs/dbraw/zinc/66/05/24/949660524.db2.gz RULQOUCJMHJCOQ-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@H](CNc3ncccc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575548186 949661519 /nfs/dbraw/zinc/66/15/19/949661519.db2.gz TUNZUKVJCJXVDG-ACJLOTCBSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@H](CNc3ncccc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575548186 949661529 /nfs/dbraw/zinc/66/15/29/949661529.db2.gz TUNZUKVJCJXVDG-ACJLOTCBSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574958346 949664462 /nfs/dbraw/zinc/66/44/62/949664462.db2.gz IZVGMYHNIZHVFQ-TUKIKUTGSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574958346 949664480 /nfs/dbraw/zinc/66/44/80/949664480.db2.gz IZVGMYHNIZHVFQ-TUKIKUTGSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575877691 949666037 /nfs/dbraw/zinc/66/60/37/949666037.db2.gz MJISNKMEPPDLLK-OCCSQVGLSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575877691 949666051 /nfs/dbraw/zinc/66/60/51/949666051.db2.gz MJISNKMEPPDLLK-OCCSQVGLSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@]1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575548343 949669250 /nfs/dbraw/zinc/66/92/50/949669250.db2.gz XLKSEHWXOKHPBR-KBXCAEBGSA-N -1 3 387.444 0.718 20 0 GCADHM 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KBODDNICMWLFOI-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1cocn1 ZINC001576170303 949714080 /nfs/dbraw/zinc/71/40/80/949714080.db2.gz KBODDNICMWLFOI-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1[C@H](NC(=O)COC2CCCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880981 949714917 /nfs/dbraw/zinc/71/49/17/949714917.db2.gz WMEDCTOJNPAVFE-SMDDNHRTSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H]1[C@H](NC(=O)COC2CCCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880981 949714933 /nfs/dbraw/zinc/71/49/33/949714933.db2.gz WMEDCTOJNPAVFE-SMDDNHRTSA-N -1 3 387.444 0.873 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001575557298 949716445 /nfs/dbraw/zinc/71/64/45/949716445.db2.gz GMAWMDHZGCHABW-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001575557298 949716459 /nfs/dbraw/zinc/71/64/59/949716459.db2.gz GMAWMDHZGCHABW-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881337 949717060 /nfs/dbraw/zinc/71/70/60/949717060.db2.gz XPYQRDVXPMVPTE-OLZOCXBDSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881337 949717074 /nfs/dbraw/zinc/71/70/74/949717074.db2.gz XPYQRDVXPMVPTE-OLZOCXBDSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170466 949717488 /nfs/dbraw/zinc/71/74/88/949717488.db2.gz LARUNJUKIDVQAM-RISCZKNCSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170466 949717501 /nfs/dbraw/zinc/71/75/01/949717501.db2.gz LARUNJUKIDVQAM-RISCZKNCSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170467 949719460 /nfs/dbraw/zinc/71/94/60/949719460.db2.gz LARUNJUKIDVQAM-SMDDNHRTSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170467 949719465 /nfs/dbraw/zinc/71/94/65/949719465.db2.gz LARUNJUKIDVQAM-SMDDNHRTSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](NC(=O)CCc1ccon1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575276354 949719950 /nfs/dbraw/zinc/71/99/50/949719950.db2.gz IZCDTWRPISKDTO-SNVBAGLBSA-N -1 3 384.400 0.392 20 0 GCADHM C[C@@H](NC(=O)CCc1ccon1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575276354 949719963 /nfs/dbraw/zinc/71/99/63/949719963.db2.gz IZCDTWRPISKDTO-SNVBAGLBSA-N -1 3 384.400 0.392 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170519 949721667 /nfs/dbraw/zinc/72/16/67/949721667.db2.gz LVGGBXBJLFIOHC-SMDDNHRTSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170519 949721682 /nfs/dbraw/zinc/72/16/82/949721682.db2.gz LVGGBXBJLFIOHC-SMDDNHRTSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881533 949722123 /nfs/dbraw/zinc/72/21/23/949722123.db2.gz YXIHEMZYZNRGQC-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881533 949722145 /nfs/dbraw/zinc/72/21/45/949722145.db2.gz YXIHEMZYZNRGQC-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCC[C@@H](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576170525 949723409 /nfs/dbraw/zinc/72/34/09/949723409.db2.gz LZGHMFWRCWLAPR-OLZOCXBDSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCC[C@@H](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576170525 949723429 /nfs/dbraw/zinc/72/34/29/949723429.db2.gz LZGHMFWRCWLAPR-OLZOCXBDSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574478815 949724764 /nfs/dbraw/zinc/72/47/64/949724764.db2.gz AWNIHSVDFSBHLX-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574478815 949724774 /nfs/dbraw/zinc/72/47/74/949724774.db2.gz AWNIHSVDFSBHLX-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276716 949728000 /nfs/dbraw/zinc/72/80/00/949728000.db2.gz KPBARYAQIQKKDW-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276716 949728022 /nfs/dbraw/zinc/72/80/22/949728022.db2.gz KPBARYAQIQKKDW-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574135730 949733676 /nfs/dbraw/zinc/73/36/76/949733676.db2.gz MALNSUXJGHKBSF-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574135730 949733683 /nfs/dbraw/zinc/73/36/83/949733683.db2.gz MALNSUXJGHKBSF-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](NC(=O)CCc1cnccn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276902 949734389 /nfs/dbraw/zinc/73/43/89/949734389.db2.gz MUBVWMQXCSMCSF-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1cnccn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276902 949734397 /nfs/dbraw/zinc/73/43/97/949734397.db2.gz MUBVWMQXCSMCSF-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575276880 949734598 /nfs/dbraw/zinc/73/45/98/949734598.db2.gz MJDJLLWLDFSAJC-JTQLQIEISA-N -1 3 383.416 0.127 20 0 GCADHM C[C@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575276880 949734614 /nfs/dbraw/zinc/73/46/14/949734614.db2.gz MJDJLLWLDFSAJC-JTQLQIEISA-N -1 3 383.416 0.127 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001575558378 949737059 /nfs/dbraw/zinc/73/70/59/949737059.db2.gz OZLLGHAZUDKNCE-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001575558378 949737074 /nfs/dbraw/zinc/73/70/74/949737074.db2.gz OZLLGHAZUDKNCE-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCOC1 ZINC001575558483 949737210 /nfs/dbraw/zinc/73/72/10/949737210.db2.gz QBPGCBBEWIFZEP-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCOC1 ZINC001575558483 949737234 /nfs/dbraw/zinc/73/72/34/949737234.db2.gz QBPGCBBEWIFZEP-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574479393 949739839 /nfs/dbraw/zinc/73/98/39/949739839.db2.gz DYAURFUIPBJZEQ-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574479393 949739855 /nfs/dbraw/zinc/73/98/55/949739855.db2.gz DYAURFUIPBJZEQ-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](NC(=O)CCOCC(F)F)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276956 949741982 /nfs/dbraw/zinc/74/19/82/949741982.db2.gz NFMIGNXQHYWTDL-BDAKNGLRSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@@H](NC(=O)CCOCC(F)F)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276956 949741994 /nfs/dbraw/zinc/74/19/94/949741994.db2.gz NFMIGNXQHYWTDL-BDAKNGLRSA-N -1 3 385.375 0.490 20 0 GCADHM CC1(C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001575558716 949742485 /nfs/dbraw/zinc/74/24/85/949742485.db2.gz REBGPABWLQVTIY-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001575558716 949742505 /nfs/dbraw/zinc/74/25/05/949742505.db2.gz REBGPABWLQVTIY-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574479751 949742462 /nfs/dbraw/zinc/74/24/62/949742462.db2.gz GSGZFJXXONGMBR-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574479751 949742477 /nfs/dbraw/zinc/74/24/77/949742477.db2.gz GSGZFJXXONGMBR-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170982 949744373 /nfs/dbraw/zinc/74/43/73/949744373.db2.gz OMKYRVAIHCQDMX-GXTWGEPZSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574717996 949750459 /nfs/dbraw/zinc/75/04/59/949750459.db2.gz YEDZQCCYQLJTHP-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574717996 949750472 /nfs/dbraw/zinc/75/04/72/949750472.db2.gz YEDZQCCYQLJTHP-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575882078 949751174 /nfs/dbraw/zinc/75/11/74/949751174.db2.gz GAPDYAPAEYFGSY-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575882078 949751194 /nfs/dbraw/zinc/75/11/94/949751194.db2.gz GAPDYAPAEYFGSY-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@]1(C(=O)NC2(CCO)CN(Cc3cccc(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575559368 949753670 /nfs/dbraw/zinc/75/36/70/949753670.db2.gz BSJKMSZQCIUFDQ-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@]1(C(=O)NC2(CCO)CN(Cc3cccc(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575559368 949753688 /nfs/dbraw/zinc/75/36/88/949753688.db2.gz BSJKMSZQCIUFDQ-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575559281 949754745 /nfs/dbraw/zinc/75/47/45/949754745.db2.gz WFQZMZRZSUUSIT-NXKACYDGSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575559281 949754762 /nfs/dbraw/zinc/75/47/62/949754762.db2.gz WFQZMZRZSUUSIT-NXKACYDGSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574718048 949755572 /nfs/dbraw/zinc/75/55/72/949755572.db2.gz RMORQDHUPQHZEP-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574718048 949755584 /nfs/dbraw/zinc/75/55/84/949755584.db2.gz RMORQDHUPQHZEP-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574963776 949758212 /nfs/dbraw/zinc/75/82/12/949758212.db2.gz MYJBJVZATHCARS-XHDPSFHLSA-N -1 3 389.435 0.611 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574963776 949758234 /nfs/dbraw/zinc/75/82/34/949758234.db2.gz MYJBJVZATHCARS-XHDPSFHLSA-N -1 3 389.435 0.611 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575278180 949764214 /nfs/dbraw/zinc/76/42/14/949764214.db2.gz UCMAFSDEZHPZRM-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575278180 949764230 /nfs/dbraw/zinc/76/42/30/949764230.db2.gz UCMAFSDEZHPZRM-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1cncnc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575278197 949765084 /nfs/dbraw/zinc/76/50/84/949765084.db2.gz UHYNVIWQKTUROE-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1cncnc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575278197 949765095 /nfs/dbraw/zinc/76/50/95/949765095.db2.gz UHYNVIWQKTUROE-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575278181 949766977 /nfs/dbraw/zinc/76/69/77/949766977.db2.gz UCMAFSDEZHPZRM-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575278181 949766994 /nfs/dbraw/zinc/76/69/94/949766994.db2.gz UCMAFSDEZHPZRM-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cnoc2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575882339 949767585 /nfs/dbraw/zinc/76/75/85/949767585.db2.gz IXFPBAHQALCCDD-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cnoc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882339 949767592 /nfs/dbraw/zinc/76/75/92/949767592.db2.gz IXFPBAHQALCCDD-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575559953 949772530 /nfs/dbraw/zinc/77/25/30/949772530.db2.gz ZQDLUZCOQZKLFD-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575559953 949772543 /nfs/dbraw/zinc/77/25/43/949772543.db2.gz ZQDLUZCOQZKLFD-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882409 949774102 /nfs/dbraw/zinc/77/41/02/949774102.db2.gz KGHPSTGHNLIEEY-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnsn1 ZINC001575882399 949774460 /nfs/dbraw/zinc/77/44/60/949774460.db2.gz KCDCAMCFGYMMCE-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnsn1 ZINC001575882399 949774468 /nfs/dbraw/zinc/77/44/68/949774468.db2.gz KCDCAMCFGYMMCE-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574137897 949777046 /nfs/dbraw/zinc/77/70/46/949777046.db2.gz YQUMVNIPKDNMDE-OCCSQVGLSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574137897 949777058 /nfs/dbraw/zinc/77/70/58/949777058.db2.gz YQUMVNIPKDNMDE-OCCSQVGLSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575560048 949778242 /nfs/dbraw/zinc/77/82/42/949778242.db2.gz JDTWXPMADMSFEH-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575560048 949778251 /nfs/dbraw/zinc/77/82/51/949778251.db2.gz JDTWXPMADMSFEH-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481457 949778845 /nfs/dbraw/zinc/77/88/45/949778845.db2.gz QFKIMYPFAVPXGJ-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481457 949778858 /nfs/dbraw/zinc/77/88/58/949778858.db2.gz QFKIMYPFAVPXGJ-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CCOCC1 ZINC001573821447 949779663 /nfs/dbraw/zinc/77/96/63/949779663.db2.gz CHIYLRUBJIAHGV-CQSZACIVSA-N -1 3 388.476 0.537 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CCOCC1 ZINC001573821447 949779678 /nfs/dbraw/zinc/77/96/78/949779678.db2.gz CHIYLRUBJIAHGV-CQSZACIVSA-N -1 3 388.476 0.537 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574964509 949783320 /nfs/dbraw/zinc/78/33/20/949783320.db2.gz XLJQOVMFZKJPLT-GZMMTYOYSA-N -1 3 378.824 0.453 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574964509 949783342 /nfs/dbraw/zinc/78/33/42/949783342.db2.gz XLJQOVMFZKJPLT-GZMMTYOYSA-N -1 3 378.824 0.453 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001574138136 949784663 /nfs/dbraw/zinc/78/46/63/949784663.db2.gz AZQQCJJIHONARE-KCPJHIHWSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001574138136 949784682 /nfs/dbraw/zinc/78/46/82/949784682.db2.gz AZQQCJJIHONARE-KCPJHIHWSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574718527 949785810 /nfs/dbraw/zinc/78/58/10/949785810.db2.gz YNCXCWMIPICRNK-VHSXEESVSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574718527 949785830 /nfs/dbraw/zinc/78/58/30/949785830.db2.gz YNCXCWMIPICRNK-VHSXEESVSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1n[nH]cc1F ZINC001575882750 949786389 /nfs/dbraw/zinc/78/63/89/949786389.db2.gz NVCHBUVCCHCDJQ-KWQFWETISA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1n[nH]cc1F ZINC001575882750 949786439 /nfs/dbraw/zinc/78/64/39/949786439.db2.gz NVCHBUVCCHCDJQ-KWQFWETISA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574718526 949786801 /nfs/dbraw/zinc/78/68/01/949786801.db2.gz YNCXCWMIPICRNK-UWVGGRQHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574718526 949786820 /nfs/dbraw/zinc/78/68/20/949786820.db2.gz YNCXCWMIPICRNK-UWVGGRQHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575882752 949787045 /nfs/dbraw/zinc/78/70/45/949787045.db2.gz ACFVDLYTSQLPJP-CMPLNLGQSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575882752 949787063 /nfs/dbraw/zinc/78/70/63/949787063.db2.gz ACFVDLYTSQLPJP-CMPLNLGQSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccncn1 ZINC001575882804 949791672 /nfs/dbraw/zinc/79/16/72/949791672.db2.gz OAZRXDFHNIBUGS-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccncn1 ZINC001575882804 949791684 /nfs/dbraw/zinc/79/16/84/949791684.db2.gz OAZRXDFHNIBUGS-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001576172080 949791939 /nfs/dbraw/zinc/79/19/39/949791939.db2.gz UOWQIZIHVZKWBC-CYBMUJFWSA-N -1 3 392.485 0.935 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001576172080 949791959 /nfs/dbraw/zinc/79/19/59/949791959.db2.gz UOWQIZIHVZKWBC-CYBMUJFWSA-N -1 3 392.485 0.935 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718583 949792859 /nfs/dbraw/zinc/79/28/59/949792859.db2.gz ZQPWYPAWSSNFNV-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718583 949792875 /nfs/dbraw/zinc/79/28/75/949792875.db2.gz ZQPWYPAWSSNFNV-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573822633 949800040 /nfs/dbraw/zinc/80/00/40/949800040.db2.gz LEBOWEXQILGORD-WDEREUQCSA-N -1 3 391.411 0.025 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573822633 949800060 /nfs/dbraw/zinc/80/00/60/949800060.db2.gz LEBOWEXQILGORD-WDEREUQCSA-N -1 3 391.411 0.025 20 0 GCADHM C[C@H](NC(=O)COc1ccsc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575281102 949800504 /nfs/dbraw/zinc/80/05/04/949800504.db2.gz DCFXQTCKMWPVLQ-UWVGGRQHSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@H](NC(=O)COc1ccsc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575281102 949800528 /nfs/dbraw/zinc/80/05/28/949800528.db2.gz DCFXQTCKMWPVLQ-UWVGGRQHSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575883058 949802291 /nfs/dbraw/zinc/80/22/91/949802291.db2.gz CGHZFHLKTXIEPW-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575883058 949802311 /nfs/dbraw/zinc/80/23/11/949802311.db2.gz CGHZFHLKTXIEPW-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCCC2)CCOC1 ZINC001575561012 949802417 /nfs/dbraw/zinc/80/24/17/949802417.db2.gz XHVZZBRUMMAJQA-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCCC2)CCOC1 ZINC001575561012 949802437 /nfs/dbraw/zinc/80/24/37/949802437.db2.gz XHVZZBRUMMAJQA-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccncn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574720850 949807117 /nfs/dbraw/zinc/80/71/17/949807117.db2.gz IJFLOKGRSOVALS-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccncn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574720850 949807137 /nfs/dbraw/zinc/80/71/37/949807137.db2.gz IJFLOKGRSOVALS-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172597 949811733 /nfs/dbraw/zinc/81/17/33/949811733.db2.gz XUWDXTXATJHCST-DGCLKSJQSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574481904 949812052 /nfs/dbraw/zinc/81/20/52/949812052.db2.gz XHYFESAZCNLGHF-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574481904 949812074 /nfs/dbraw/zinc/81/20/74/949812074.db2.gz XHYFESAZCNLGHF-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172556 949812504 /nfs/dbraw/zinc/81/25/04/949812504.db2.gz XDPQRQILCICEBS-GWCFXTLKSA-N -1 3 383.420 0.518 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481949 949812857 /nfs/dbraw/zinc/81/28/57/949812857.db2.gz XXJKTEIDJJXLSY-MNOVXSKESA-N -1 3 390.423 0.713 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481949 949812879 /nfs/dbraw/zinc/81/28/79/949812879.db2.gz XXJKTEIDJJXLSY-MNOVXSKESA-N -1 3 390.423 0.713 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481950 949815178 /nfs/dbraw/zinc/81/51/78/949815178.db2.gz XXJKTEIDJJXLSY-QWRGUYRKSA-N -1 3 390.423 0.713 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481950 949815200 /nfs/dbraw/zinc/81/52/00/949815200.db2.gz XXJKTEIDJJXLSY-QWRGUYRKSA-N -1 3 390.423 0.713 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCNC1=O ZINC001575562270 949819779 /nfs/dbraw/zinc/81/97/79/949819779.db2.gz FHWBGNDCXAYVSA-DIFFPNOSSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCNC1=O ZINC001575562270 949819802 /nfs/dbraw/zinc/81/98/02/949819802.db2.gz FHWBGNDCXAYVSA-DIFFPNOSSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721758 949820426 /nfs/dbraw/zinc/82/04/26/949820426.db2.gz NQLQYUSLKPSIFY-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721758 949820453 /nfs/dbraw/zinc/82/04/53/949820453.db2.gz NQLQYUSLKPSIFY-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cccc1 ZINC001575883582 949820425 /nfs/dbraw/zinc/82/04/25/949820425.db2.gz RLIGHXZZDJOPJC-TZMCWYRMSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cccc1 ZINC001575883582 949820450 /nfs/dbraw/zinc/82/04/50/949820450.db2.gz RLIGHXZZDJOPJC-TZMCWYRMSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575562593 949824161 /nfs/dbraw/zinc/82/41/61/949824161.db2.gz HNOUNMXYALXQIH-KZULUSFZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575562593 949824187 /nfs/dbraw/zinc/82/41/87/949824187.db2.gz HNOUNMXYALXQIH-KZULUSFZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CC(=O)N1CCCC1 ZINC001575883686 949824647 /nfs/dbraw/zinc/82/46/47/949824647.db2.gz SIYBPMHUPMTMLU-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@]1(C(=O)NC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCCOC1 ZINC001575562513 949824787 /nfs/dbraw/zinc/82/47/87/949824787.db2.gz GRKDHEXCPVQGRB-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCCOC1 ZINC001575562513 949824806 /nfs/dbraw/zinc/82/48/06/949824806.db2.gz GRKDHEXCPVQGRB-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CC(=O)N1CCCC1 ZINC001575883688 949826769 /nfs/dbraw/zinc/82/67/69/949826769.db2.gz SIYBPMHUPMTMLU-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cn(C)cn1 ZINC001575883902 949831003 /nfs/dbraw/zinc/83/10/03/949831003.db2.gz HJLCODFICHUPCC-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cn(C)cn1 ZINC001575883902 949831023 /nfs/dbraw/zinc/83/10/23/949831023.db2.gz HJLCODFICHUPCC-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575282415 949833846 /nfs/dbraw/zinc/83/38/46/949833846.db2.gz BKFPWUYRQNSHPG-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575282415 949833869 /nfs/dbraw/zinc/83/38/69/949833869.db2.gz BKFPWUYRQNSHPG-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575883946 949836341 /nfs/dbraw/zinc/83/63/41/949836341.db2.gz TWGJCKBNTWOHRW-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575883946 949836357 /nfs/dbraw/zinc/83/63/57/949836357.db2.gz TWGJCKBNTWOHRW-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574966106 949837451 /nfs/dbraw/zinc/83/74/51/949837451.db2.gz URWWOWVMVVBEAR-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574966106 949837464 /nfs/dbraw/zinc/83/74/64/949837464.db2.gz URWWOWVMVVBEAR-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574483717 949839642 /nfs/dbraw/zinc/83/96/42/949839642.db2.gz JJNVURMZWCRHTH-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574483717 949839664 /nfs/dbraw/zinc/83/96/64/949839664.db2.gz JJNVURMZWCRHTH-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574483864 949844134 /nfs/dbraw/zinc/84/41/34/949844134.db2.gz NWXJGMNUZUXLNM-IUODEOHRSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574483864 949844148 /nfs/dbraw/zinc/84/41/48/949844148.db2.gz NWXJGMNUZUXLNM-IUODEOHRSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](NC(=O)COC1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575282660 949845842 /nfs/dbraw/zinc/84/58/42/949845842.db2.gz LONRHSZXINOEIG-MNOVXSKESA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@H](NC(=O)COC1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575282660 949845856 /nfs/dbraw/zinc/84/58/56/949845856.db2.gz LONRHSZXINOEIG-MNOVXSKESA-N -1 3 391.432 0.013 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576173810 949845969 /nfs/dbraw/zinc/84/59/69/949845969.db2.gz ZDQNCNITNXPGRC-AAEUAGOBSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576173810 949845989 /nfs/dbraw/zinc/84/59/89/949845989.db2.gz ZDQNCNITNXPGRC-AAEUAGOBSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001574483928 949848376 /nfs/dbraw/zinc/84/83/76/949848376.db2.gz QHVDRVQIKKODLN-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001574483928 949848397 /nfs/dbraw/zinc/84/83/97/949848397.db2.gz QHVDRVQIKKODLN-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ncc[nH]2)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576177672 949852472 /nfs/dbraw/zinc/85/24/72/949852472.db2.gz ACYQXUWPCCGJLB-ZWNOBZJWSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ncc[nH]2)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576177672 949852484 /nfs/dbraw/zinc/85/24/84/949852484.db2.gz ACYQXUWPCCGJLB-ZWNOBZJWSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](NC(=O)CO[C@@H]1CCOC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575283056 949854355 /nfs/dbraw/zinc/85/43/55/949854355.db2.gz NBIPNNAJSZXXOY-WCQYABFASA-N -1 3 392.485 0.670 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575283098 949854803 /nfs/dbraw/zinc/85/48/03/949854803.db2.gz NKGRQHNIRNPIMG-QWRGUYRKSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574723721 949855426 /nfs/dbraw/zinc/85/54/26/949855426.db2.gz CATJPNVGPYZLLJ-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574723721 949855448 /nfs/dbraw/zinc/85/54/48/949855448.db2.gz CATJPNVGPYZLLJ-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ccc(Cl)[nH]1 ZINC001574966745 949856975 /nfs/dbraw/zinc/85/69/75/949856975.db2.gz BRKQLACWEGBGQK-QMMMGPOBSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ccc(Cl)[nH]1 ZINC001574966745 949856992 /nfs/dbraw/zinc/85/69/92/949856992.db2.gz BRKQLACWEGBGQK-QMMMGPOBSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@@H](NC(=O)CO[C@@H]1CCOC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575283054 949857204 /nfs/dbraw/zinc/85/72/04/949857204.db2.gz NBIPNNAJSZXXOY-DGCLKSJQSA-N -1 3 392.485 0.670 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574724012 949860006 /nfs/dbraw/zinc/86/00/06/949860006.db2.gz DUUHAFYKYOWZIM-CYBMUJFWSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574724012 949860024 /nfs/dbraw/zinc/86/00/24/949860024.db2.gz DUUHAFYKYOWZIM-CYBMUJFWSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@H](NC(=O)CN1CCOCC1=O)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575283310 949863010 /nfs/dbraw/zinc/86/30/10/949863010.db2.gz FDSOEEJHDIGAMS-QWRGUYRKSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@H](NC(=O)CN1CCOCC1=O)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575283310 949863027 /nfs/dbraw/zinc/86/30/27/949863027.db2.gz FDSOEEJHDIGAMS-QWRGUYRKSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574484162 949863511 /nfs/dbraw/zinc/86/35/11/949863511.db2.gz DHBDPXCUOVAKRF-OLZOCXBDSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574484162 949863526 /nfs/dbraw/zinc/86/35/26/949863526.db2.gz DHBDPXCUOVAKRF-OLZOCXBDSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575283359 949864692 /nfs/dbraw/zinc/86/46/92/949864692.db2.gz FSKZRYSOPQLMJU-YPMHNXCESA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283359 949864718 /nfs/dbraw/zinc/86/47/18/949864718.db2.gz FSKZRYSOPQLMJU-YPMHNXCESA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574724293 949864972 /nfs/dbraw/zinc/86/49/72/949864972.db2.gz GOHOGOQQPNUWOC-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575564586 949867425 /nfs/dbraw/zinc/86/74/25/949867425.db2.gz QNKAXHKXGJRLLQ-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575564586 949867442 /nfs/dbraw/zinc/86/74/42/949867442.db2.gz QNKAXHKXGJRLLQ-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCc1ccon1 ZINC001575885636 949869127 /nfs/dbraw/zinc/86/91/27/949869127.db2.gz KPRZGHOPUVURTI-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCc1ccon1 ZINC001575885636 949869148 /nfs/dbraw/zinc/86/91/48/949869148.db2.gz KPRZGHOPUVURTI-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001574967603 949870981 /nfs/dbraw/zinc/87/09/81/949870981.db2.gz IDWBGNJGRNLMMZ-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001574967603 949871000 /nfs/dbraw/zinc/87/10/00/949871000.db2.gz IDWBGNJGRNLMMZ-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001573825352 949872040 /nfs/dbraw/zinc/87/20/40/949872040.db2.gz SYUMKJCAFVCBNK-ARFHVFGLSA-N -1 3 388.472 0.791 20 0 GCADHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001573825352 949872060 /nfs/dbraw/zinc/87/20/60/949872060.db2.gz SYUMKJCAFVCBNK-ARFHVFGLSA-N -1 3 388.472 0.791 20 0 GCADHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001573825375 949874407 /nfs/dbraw/zinc/87/44/07/949874407.db2.gz SYUMKJCAFVCBNK-OWCLPIDISA-N -1 3 388.472 0.791 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575564970 949874253 /nfs/dbraw/zinc/87/42/53/949874253.db2.gz UIPBHZSRARHZET-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575564970 949874276 /nfs/dbraw/zinc/87/42/76/949874276.db2.gz UIPBHZSRARHZET-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001573825375 949874428 /nfs/dbraw/zinc/87/44/28/949874428.db2.gz SYUMKJCAFVCBNK-OWCLPIDISA-N -1 3 388.472 0.791 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573825323 949875259 /nfs/dbraw/zinc/87/52/59/949875259.db2.gz RUGPQHCPLDSANW-GFCCVEGCSA-N -1 3 387.448 0.405 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573825323 949875281 /nfs/dbraw/zinc/87/52/81/949875281.db2.gz RUGPQHCPLDSANW-GFCCVEGCSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575886223 949875537 /nfs/dbraw/zinc/87/55/37/949875537.db2.gz XODWXVNLAVJOCS-JQWIXIFHSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575886223 949875557 /nfs/dbraw/zinc/87/55/57/949875557.db2.gz XODWXVNLAVJOCS-JQWIXIFHSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cn1ccnc1 ZINC001575886186 949876753 /nfs/dbraw/zinc/87/67/53/949876753.db2.gz XKGNEVXMZXLOEV-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575885856 949878985 /nfs/dbraw/zinc/87/89/85/949878985.db2.gz LTEOSACSMXUBCI-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575885856 949879006 /nfs/dbraw/zinc/87/90/06/949879006.db2.gz LTEOSACSMXUBCI-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ocnc1C1CC1 ZINC001574967934 949881776 /nfs/dbraw/zinc/88/17/76/949881776.db2.gz KBECLWWLRUWROZ-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ocnc1C1CC1 ZINC001574967934 949881797 /nfs/dbraw/zinc/88/17/97/949881797.db2.gz KBECLWWLRUWROZ-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575283654 949882291 /nfs/dbraw/zinc/88/22/91/949882291.db2.gz GPQYYSHYOARBRZ-KGLIPLIRSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](NC(=O)COCC(F)F)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575283907 949885801 /nfs/dbraw/zinc/88/58/01/949885801.db2.gz RFECXQJGDXQQRE-MRVPVSSYSA-N -1 3 383.359 0.053 20 0 GCADHM C[C@@H](NC(=O)COCC(F)F)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575283907 949885821 /nfs/dbraw/zinc/88/58/21/949885821.db2.gz RFECXQJGDXQQRE-MRVPVSSYSA-N -1 3 383.359 0.053 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccns1)C1CC1 ZINC001574968193 949891255 /nfs/dbraw/zinc/89/12/55/949891255.db2.gz MYKLAIMXDPVFPV-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccns1)C1CC1 ZINC001574968193 949891284 /nfs/dbraw/zinc/89/12/84/949891284.db2.gz MYKLAIMXDPVFPV-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574143318 949891338 /nfs/dbraw/zinc/89/13/38/949891338.db2.gz GIGUKDKNXKPSIA-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574143318 949891356 /nfs/dbraw/zinc/89/13/56/949891356.db2.gz GIGUKDKNXKPSIA-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574143344 949892313 /nfs/dbraw/zinc/89/23/13/949892313.db2.gz GRGUKMHLVNAWCK-KZULUSFZSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574143344 949892334 /nfs/dbraw/zinc/89/23/34/949892334.db2.gz GRGUKMHLVNAWCK-KZULUSFZSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574725213 949893223 /nfs/dbraw/zinc/89/32/23/949893223.db2.gz PUIARUWRSBTLSV-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574725213 949893246 /nfs/dbraw/zinc/89/32/46/949893246.db2.gz PUIARUWRSBTLSV-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575887249 949897099 /nfs/dbraw/zinc/89/70/99/949897099.db2.gz OAYPDBILJAATSM-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575887249 949897116 /nfs/dbraw/zinc/89/71/16/949897116.db2.gz OAYPDBILJAATSM-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575887305 949899413 /nfs/dbraw/zinc/89/94/13/949899413.db2.gz YSSWZVVQGRNSLI-JOYOIKCWSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575887305 949899438 /nfs/dbraw/zinc/89/94/38/949899438.db2.gz YSSWZVVQGRNSLI-JOYOIKCWSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H](NC(=O)COCc1ccnn1C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575284302 949900685 /nfs/dbraw/zinc/90/06/85/949900685.db2.gz UAQICSWVXIMYGO-VXGBXAGGSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](NC(=O)COCc1ccnn1C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575284302 949900700 /nfs/dbraw/zinc/90/07/00/949900700.db2.gz UAQICSWVXIMYGO-VXGBXAGGSA-N -1 3 385.432 0.517 20 0 GCADHM CC1(C(=O)NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOCC1 ZINC001575568955 949904122 /nfs/dbraw/zinc/90/41/22/949904122.db2.gz DVZDXSISLODJKI-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOCC1 ZINC001575568955 949904145 /nfs/dbraw/zinc/90/41/45/949904145.db2.gz DVZDXSISLODJKI-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1ncccc1-c1nnn[n-]1 ZINC001574725669 949904371 /nfs/dbraw/zinc/90/43/71/949904371.db2.gz AFROYLIDIDJQHN-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1ncccc1-c1nn[n-]n1 ZINC001574725669 949904404 /nfs/dbraw/zinc/90/44/04/949904404.db2.gz AFROYLIDIDJQHN-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM CC(C)C[C@@H](C)OCCC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574144240 949907202 /nfs/dbraw/zinc/90/72/02/949907202.db2.gz MDOUXLKWRWHHKC-GFCCVEGCSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@@H](C)OCCC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574144240 949907208 /nfs/dbraw/zinc/90/72/08/949907208.db2.gz MDOUXLKWRWHHKC-GFCCVEGCSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484879 949909916 /nfs/dbraw/zinc/90/99/16/949909916.db2.gz QNERKLVMBFNCFK-WCQYABFASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484879 949909927 /nfs/dbraw/zinc/90/99/27/949909927.db2.gz QNERKLVMBFNCFK-WCQYABFASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575284623 949912334 /nfs/dbraw/zinc/91/23/34/949912334.db2.gz KBPVXQJBEQOOFW-UWVGGRQHSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575284623 949912349 /nfs/dbraw/zinc/91/23/49/949912349.db2.gz KBPVXQJBEQOOFW-UWVGGRQHSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484982 949913154 /nfs/dbraw/zinc/91/31/54/949913154.db2.gz TYLQGPJVMIXDSW-VXGBXAGGSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484982 949913165 /nfs/dbraw/zinc/91/31/65/949913165.db2.gz TYLQGPJVMIXDSW-VXGBXAGGSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575888339 949913206 /nfs/dbraw/zinc/91/32/06/949913206.db2.gz PQWDJYDNBSYNCE-ZYHUDNBSSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575888339 949913214 /nfs/dbraw/zinc/91/32/14/949913214.db2.gz PQWDJYDNBSYNCE-ZYHUDNBSSA-N -1 3 375.433 0.465 20 0 GCADHM CC(C)C[C@H](CNC(=O)C1=COCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574144613 949919284 /nfs/dbraw/zinc/91/92/84/949919284.db2.gz QGCXFBYVKFNHSH-LLVKDONJSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@H](CNC(=O)C1=COCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574144613 949919304 /nfs/dbraw/zinc/91/93/04/949919304.db2.gz QGCXFBYVKFNHSH-LLVKDONJSA-N -1 3 389.416 0.344 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574485249 949920373 /nfs/dbraw/zinc/92/03/73/949920373.db2.gz VUSUDZJKAHJHEJ-GHMZBOCLSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574485249 949920396 /nfs/dbraw/zinc/92/03/96/949920396.db2.gz VUSUDZJKAHJHEJ-GHMZBOCLSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H](C)OCC1CC1 ZINC001574968931 949920830 /nfs/dbraw/zinc/92/08/30/949920830.db2.gz WDPXDUXGVFDMAK-QWRGUYRKSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H](C)OCC1CC1 ZINC001574968931 949920852 /nfs/dbraw/zinc/92/08/52/949920852.db2.gz WDPXDUXGVFDMAK-QWRGUYRKSA-N -1 3 375.433 0.492 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001576179662 949924248 /nfs/dbraw/zinc/92/42/48/949924248.db2.gz BTULJIWVWBTOFK-AWEZNQCLSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575889079 949924969 /nfs/dbraw/zinc/92/49/69/949924969.db2.gz RQBFVXYUKSGVKP-HTQZYQBOSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575889079 949924989 /nfs/dbraw/zinc/92/49/89/949924989.db2.gz RQBFVXYUKSGVKP-HTQZYQBOSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@]1(C(=O)NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCCOC1 ZINC001575569619 949925394 /nfs/dbraw/zinc/92/53/94/949925394.db2.gz LGBUFLJSVJVMOP-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCCOC1 ZINC001575569619 949925408 /nfs/dbraw/zinc/92/54/08/949925408.db2.gz LGBUFLJSVJVMOP-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CN(C)C(=O)COCC1CCCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574726035 949926626 /nfs/dbraw/zinc/92/66/26/949926626.db2.gz FSNUJUYXKYNSDI-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cc[nH]n1 ZINC001575889088 949926544 /nfs/dbraw/zinc/92/65/44/949926544.db2.gz RSRICGUDCSOOFE-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](CN(C)C(=O)COCC1CCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574726035 949926646 /nfs/dbraw/zinc/92/66/46/949926646.db2.gz FSNUJUYXKYNSDI-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574485689 949927692 /nfs/dbraw/zinc/92/76/92/949927692.db2.gz YUVZKQSZDSYWPS-WCQYABFASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574485689 949927716 /nfs/dbraw/zinc/92/77/16/949927716.db2.gz YUVZKQSZDSYWPS-WCQYABFASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C1(C)CCOCC1 ZINC001574972101 949927867 /nfs/dbraw/zinc/92/78/67/949927867.db2.gz AEQSCLGQQKVPRN-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C1(C)CCOCC1 ZINC001574972101 949927882 /nfs/dbraw/zinc/92/78/82/949927882.db2.gz AEQSCLGQQKVPRN-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001574969078 949928494 /nfs/dbraw/zinc/92/84/94/949928494.db2.gz ZDEOTDZLRMSUEU-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001574969078 949928502 /nfs/dbraw/zinc/92/85/02/949928502.db2.gz ZDEOTDZLRMSUEU-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574726244 949929448 /nfs/dbraw/zinc/92/94/48/949929448.db2.gz HFMLGIHNSGVBJX-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574726244 949929464 /nfs/dbraw/zinc/92/94/64/949929464.db2.gz HFMLGIHNSGVBJX-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cnoc1C1CC1 ZINC001574969088 949929823 /nfs/dbraw/zinc/92/98/23/949929823.db2.gz ZIOFDFACGTZYIX-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cnoc1C1CC1 ZINC001574969088 949929840 /nfs/dbraw/zinc/92/98/40/949929840.db2.gz ZIOFDFACGTZYIX-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]2O)CC1 ZINC001575569738 949930997 /nfs/dbraw/zinc/93/09/97/949930997.db2.gz NKJFDJQEPCDOIT-NWDGAFQWSA-N -1 3 377.836 0.771 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]2O)CC1 ZINC001575569738 949931010 /nfs/dbraw/zinc/93/10/10/949931010.db2.gz NKJFDJQEPCDOIT-NWDGAFQWSA-N -1 3 377.836 0.771 20 0 GCADHM CC(C)C[C@H](CNC(=O)C1=CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574146055 949934660 /nfs/dbraw/zinc/93/46/60/949934660.db2.gz WOLCGPKYVQQONY-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)C[C@H](CNC(=O)C1=CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574146055 949934679 /nfs/dbraw/zinc/93/46/79/949934679.db2.gz WOLCGPKYVQQONY-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574726477 949939492 /nfs/dbraw/zinc/93/94/92/949939492.db2.gz IWJFNBAPQLLFKW-CYBMUJFWSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574726477 949939510 /nfs/dbraw/zinc/93/95/10/949939510.db2.gz IWJFNBAPQLLFKW-CYBMUJFWSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574488061 949940089 /nfs/dbraw/zinc/94/00/89/949940089.db2.gz CWNSJHXANPJSPO-WCQYABFASA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574488061 949940111 /nfs/dbraw/zinc/94/01/11/949940111.db2.gz CWNSJHXANPJSPO-WCQYABFASA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cncn1C ZINC001575890136 949942141 /nfs/dbraw/zinc/94/21/41/949942141.db2.gz VOBJPPMKAFTHKQ-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cncn1C ZINC001575890136 949942151 /nfs/dbraw/zinc/94/21/51/949942151.db2.gz VOBJPPMKAFTHKQ-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)[C@@H](C)c1nnnn1C1CC1 ZINC001574972565 949942318 /nfs/dbraw/zinc/94/23/18/949942318.db2.gz DAVUVHVGUPZUMT-ZJUUUORDSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)[C@@H](C)c1nnnn1C1CC1 ZINC001574972565 949942335 /nfs/dbraw/zinc/94/23/35/949942335.db2.gz DAVUVHVGUPZUMT-ZJUUUORDSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCC(C)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576180224 949944757 /nfs/dbraw/zinc/94/47/57/949944757.db2.gz DHLIETUKXYBIEB-ZDUSSCGKSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCC(C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576180224 949944779 /nfs/dbraw/zinc/94/47/79/949944779.db2.gz DHLIETUKXYBIEB-ZDUSSCGKSA-N -1 3 388.476 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574146519 949945257 /nfs/dbraw/zinc/94/52/57/949945257.db2.gz ZBJJLYOXMICVCN-TZMCWYRMSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574146519 949945278 /nfs/dbraw/zinc/94/52/78/949945278.db2.gz ZBJJLYOXMICVCN-TZMCWYRMSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001574972907 949945613 /nfs/dbraw/zinc/94/56/13/949945613.db2.gz DKKKWNUJOMWVML-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001574972907 949945630 /nfs/dbraw/zinc/94/56/30/949945630.db2.gz DKKKWNUJOMWVML-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285481 949946481 /nfs/dbraw/zinc/94/64/81/949946481.db2.gz NSEFOIDRUUFBAR-QWHCGFSZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285481 949946498 /nfs/dbraw/zinc/94/64/98/949946498.db2.gz NSEFOIDRUUFBAR-QWHCGFSZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1cscn1 ZINC001574972955 949946823 /nfs/dbraw/zinc/94/68/23/949946823.db2.gz FESYCCVPBXLYRW-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cscn1 ZINC001574972955 949946840 /nfs/dbraw/zinc/94/68/40/949946840.db2.gz FESYCCVPBXLYRW-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001574972933 949947159 /nfs/dbraw/zinc/94/71/59/949947159.db2.gz DYNLVEJUQADXMO-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001574972933 949947174 /nfs/dbraw/zinc/94/71/74/949947174.db2.gz DYNLVEJUQADXMO-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1ncccc1-c1nnn[n-]1 ZINC001574726818 949947076 /nfs/dbraw/zinc/94/70/76/949947076.db2.gz LMXBYXHBPUDQJP-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1ncccc1-c1nn[n-]n1 ZINC001574726818 949947089 /nfs/dbraw/zinc/94/70/89/949947089.db2.gz LMXBYXHBPUDQJP-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001575285514 949948429 /nfs/dbraw/zinc/94/84/29/949948429.db2.gz NZFWSQWPSALENB-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575285514 949948447 /nfs/dbraw/zinc/94/84/47/949948447.db2.gz NZFWSQWPSALENB-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1CCOCC1 ZINC001574147725 949948391 /nfs/dbraw/zinc/94/83/91/949948391.db2.gz AWAPUCAUVBRCQG-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1CCOCC1 ZINC001574147725 949948400 /nfs/dbraw/zinc/94/84/00/949948400.db2.gz AWAPUCAUVBRCQG-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001574488366 949948763 /nfs/dbraw/zinc/94/87/63/949948763.db2.gz DQMUONZPGFBYKS-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001574488366 949948776 /nfs/dbraw/zinc/94/87/76/949948776.db2.gz DQMUONZPGFBYKS-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)COc1ccccc1 ZINC001574973043 949949385 /nfs/dbraw/zinc/94/93/85/949949385.db2.gz GACQSMCCBFXIDI-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)COc1ccccc1 ZINC001574973043 949949405 /nfs/dbraw/zinc/94/94/05/949949405.db2.gz GACQSMCCBFXIDI-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574726963 949951447 /nfs/dbraw/zinc/95/14/47/949951447.db2.gz MZORJGMMSXIGPE-CYBMUJFWSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574726963 949951463 /nfs/dbraw/zinc/95/14/63/949951463.db2.gz MZORJGMMSXIGPE-CYBMUJFWSA-N -1 3 386.460 0.923 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ncc[nH]1 ZINC001574147751 949951570 /nfs/dbraw/zinc/95/15/70/949951570.db2.gz BRQNGXFYVGLTJA-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ncc[nH]1 ZINC001574147751 949951583 /nfs/dbraw/zinc/95/15/83/949951583.db2.gz BRQNGXFYVGLTJA-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575285574 949953116 /nfs/dbraw/zinc/95/31/16/949953116.db2.gz OYYGVRIBJUTKIV-OLZOCXBDSA-N -1 3 382.428 0.819 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575285574 949953132 /nfs/dbraw/zinc/95/31/32/949953132.db2.gz OYYGVRIBJUTKIV-OLZOCXBDSA-N -1 3 382.428 0.819 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575571255 949953764 /nfs/dbraw/zinc/95/37/64/949953764.db2.gz ZGIUGKYAZDTOPN-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575571255 949953774 /nfs/dbraw/zinc/95/37/74/949953774.db2.gz ZGIUGKYAZDTOPN-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cncn1C ZINC001574147812 949956023 /nfs/dbraw/zinc/95/60/23/949956023.db2.gz CVHPTWQAOHZKKC-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cncn1C ZINC001574147812 949956045 /nfs/dbraw/zinc/95/60/45/949956045.db2.gz CVHPTWQAOHZKKC-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)COC1CCCC1 ZINC001575890572 949956908 /nfs/dbraw/zinc/95/69/08/949956908.db2.gz YDJKNUITDKFPFV-RISCZKNCSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)COC1CCCC1 ZINC001575890572 949956922 /nfs/dbraw/zinc/95/69/22/949956922.db2.gz YDJKNUITDKFPFV-RISCZKNCSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575571813 949957561 /nfs/dbraw/zinc/95/75/61/949957561.db2.gz AVEQBFNFFKHDTE-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575571813 949957577 /nfs/dbraw/zinc/95/75/77/949957577.db2.gz AVEQBFNFFKHDTE-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575890553 949959540 /nfs/dbraw/zinc/95/95/40/949959540.db2.gz XXEISOFXSREZNJ-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575890553 949959555 /nfs/dbraw/zinc/95/95/55/949959555.db2.gz XXEISOFXSREZNJ-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575571814 949959960 /nfs/dbraw/zinc/95/99/60/949959960.db2.gz AVEQBFNFFKHDTE-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575571814 949959984 /nfs/dbraw/zinc/95/99/84/949959984.db2.gz AVEQBFNFFKHDTE-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)COc1ccsc1 ZINC001574973940 949960403 /nfs/dbraw/zinc/96/04/03/949960403.db2.gz JGNSPPLWXSSTQN-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)COc1ccsc1 ZINC001574973940 949960421 /nfs/dbraw/zinc/96/04/21/949960421.db2.gz JGNSPPLWXSSTQN-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573829640 949960266 /nfs/dbraw/zinc/96/02/66/949960266.db2.gz AEYQJVLVHMVQBI-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573829640 949960286 /nfs/dbraw/zinc/96/02/86/949960286.db2.gz AEYQJVLVHMVQBI-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001574147918 949961958 /nfs/dbraw/zinc/96/19/58/949961958.db2.gz GHJMLBQXGCCQBR-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001574147918 949961974 /nfs/dbraw/zinc/96/19/74/949961974.db2.gz GHJMLBQXGCCQBR-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727301 949962365 /nfs/dbraw/zinc/96/23/65/949962365.db2.gz RMJKDOAZEBGHAR-NSHDSACASA-N -1 3 381.462 0.344 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727301 949962379 /nfs/dbraw/zinc/96/23/79/949962379.db2.gz RMJKDOAZEBGHAR-NSHDSACASA-N -1 3 381.462 0.344 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1nn(C)cc1Cl ZINC001574973994 949964044 /nfs/dbraw/zinc/96/40/44/949964044.db2.gz KBKREVJSDISMPY-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1nn(C)cc1Cl ZINC001574973994 949964057 /nfs/dbraw/zinc/96/40/57/949964057.db2.gz KBKREVJSDISMPY-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1=COCCO1 ZINC001574147962 949964965 /nfs/dbraw/zinc/96/49/65/949964965.db2.gz HGQAUVYVIJBBFA-GFCCVEGCSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1=COCCO1 ZINC001574147962 949964976 /nfs/dbraw/zinc/96/49/76/949964976.db2.gz HGQAUVYVIJBBFA-GFCCVEGCSA-N -1 3 389.416 0.344 20 0 GCADHM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727445 949965362 /nfs/dbraw/zinc/96/53/62/949965362.db2.gz SWMWEKQVJGEBTR-JSGCOSHPSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727445 949965382 /nfs/dbraw/zinc/96/53/82/949965382.db2.gz SWMWEKQVJGEBTR-JSGCOSHPSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727446 949966096 /nfs/dbraw/zinc/96/60/96/949966096.db2.gz SWMWEKQVJGEBTR-OCCSQVGLSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727446 949966108 /nfs/dbraw/zinc/96/61/08/949966108.db2.gz SWMWEKQVJGEBTR-OCCSQVGLSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575890841 949967151 /nfs/dbraw/zinc/96/71/51/949967151.db2.gz AHQLYALDJSVYBI-PWSUYJOCSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575890841 949967171 /nfs/dbraw/zinc/96/71/71/949967171.db2.gz AHQLYALDJSVYBI-PWSUYJOCSA-N -1 3 384.400 0.535 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCOC1 ZINC001574148057 949971701 /nfs/dbraw/zinc/97/17/01/949971701.db2.gz JPXQSGTYPZCRGB-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCOC1 ZINC001574148057 949971715 /nfs/dbraw/zinc/97/17/15/949971715.db2.gz JPXQSGTYPZCRGB-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](NC(=O)CN1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001575286269 949973029 /nfs/dbraw/zinc/97/30/29/949973029.db2.gz VIAIUUWWVPPIKV-LLVKDONJSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575572293 949973125 /nfs/dbraw/zinc/97/31/25/949973125.db2.gz FGKLLGNCEFSJOE-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575572293 949973135 /nfs/dbraw/zinc/97/31/35/949973135.db2.gz FGKLLGNCEFSJOE-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)COCC1CCCC1 ZINC001574974194 949973284 /nfs/dbraw/zinc/97/32/84/949973284.db2.gz MADXXGQSZBTUOX-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)COCC1CCCC1 ZINC001574974194 949973292 /nfs/dbraw/zinc/97/32/92/949973292.db2.gz MADXXGQSZBTUOX-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148041 949973448 /nfs/dbraw/zinc/97/34/48/949973448.db2.gz JHCRDLRAOBAPFW-YPMHNXCESA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148041 949973460 /nfs/dbraw/zinc/97/34/60/949973460.db2.gz JHCRDLRAOBAPFW-YPMHNXCESA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCCOC1 ZINC001574148055 949973530 /nfs/dbraw/zinc/97/35/30/949973530.db2.gz JPXQSGTYPZCRGB-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCOC1 ZINC001574148055 949973545 /nfs/dbraw/zinc/97/35/45/949973545.db2.gz JPXQSGTYPZCRGB-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCCOC1 ZINC001574148054 949973723 /nfs/dbraw/zinc/97/37/23/949973723.db2.gz JPXQSGTYPZCRGB-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCOC1 ZINC001574148054 949973746 /nfs/dbraw/zinc/97/37/46/949973746.db2.gz JPXQSGTYPZCRGB-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)COC1CCCC1 ZINC001574974254 949974612 /nfs/dbraw/zinc/97/46/12/949974612.db2.gz MRYIFPLYOJXMCX-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)COC1CCCC1 ZINC001574974254 949974633 /nfs/dbraw/zinc/97/46/33/949974633.db2.gz MRYIFPLYOJXMCX-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575572292 949974587 /nfs/dbraw/zinc/97/45/87/949974587.db2.gz FGKLLGNCEFSJOE-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575572292 949974602 /nfs/dbraw/zinc/97/46/02/949974602.db2.gz FGKLLGNCEFSJOE-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573830645 949975553 /nfs/dbraw/zinc/97/55/53/949975553.db2.gz MYHYEABGHIHTOD-MFKMUULPSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573830645 949975572 /nfs/dbraw/zinc/97/55/72/949975572.db2.gz MYHYEABGHIHTOD-MFKMUULPSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001574974286 949975751 /nfs/dbraw/zinc/97/57/51/949975751.db2.gz NNCFNQWALBGHJF-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1ncc(F)cc1F ZINC001574974217 949976337 /nfs/dbraw/zinc/97/63/37/949976337.db2.gz MJAFSEPMLVTYMR-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1ncc(F)cc1F ZINC001574974217 949976354 /nfs/dbraw/zinc/97/63/54/949976354.db2.gz MJAFSEPMLVTYMR-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCC(=O)NC1 ZINC001575572585 949976849 /nfs/dbraw/zinc/97/68/49/949976849.db2.gz GVWIWPRXKXBWQW-KDOFPFPSSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCC(=O)NC1 ZINC001575572585 949976867 /nfs/dbraw/zinc/97/68/67/949976867.db2.gz GVWIWPRXKXBWQW-KDOFPFPSSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(F)cn1 ZINC001575891047 949977905 /nfs/dbraw/zinc/97/79/05/949977905.db2.gz DKDNFSYXRXXVRG-GXSJLCMTSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(F)cn1 ZINC001575891047 949977921 /nfs/dbraw/zinc/97/79/21/949977921.db2.gz DKDNFSYXRXXVRG-GXSJLCMTSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCC(=O)NC1 ZINC001575572586 949978673 /nfs/dbraw/zinc/97/86/73/949978673.db2.gz GVWIWPRXKXBWQW-KSSFIOAISA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCC(=O)NC1 ZINC001575572586 949978701 /nfs/dbraw/zinc/97/87/01/949978701.db2.gz GVWIWPRXKXBWQW-KSSFIOAISA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)(C)CC(=O)N1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573830668 949979141 /nfs/dbraw/zinc/97/91/41/949979141.db2.gz NKWQHKLQKARVRC-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CC(=O)N1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573830668 949979167 /nfs/dbraw/zinc/97/91/67/949979167.db2.gz NKWQHKLQKARVRC-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnn1C ZINC001574148160 949979240 /nfs/dbraw/zinc/97/92/40/949979240.db2.gz LNDSVUZFNFYUBD-LLVKDONJSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnn1C ZINC001574148160 949979263 /nfs/dbraw/zinc/97/92/63/949979263.db2.gz LNDSVUZFNFYUBD-LLVKDONJSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576180972 949979805 /nfs/dbraw/zinc/97/98/05/949979805.db2.gz QSXWPUOTUZISMT-PWSUYJOCSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576180972 949979818 /nfs/dbraw/zinc/97/98/18/949979818.db2.gz QSXWPUOTUZISMT-PWSUYJOCSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCC(=O)NC1 ZINC001575572587 949980065 /nfs/dbraw/zinc/98/00/65/949980065.db2.gz GVWIWPRXKXBWQW-RDTXWAMCSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCC(=O)NC1 ZINC001575572587 949980092 /nfs/dbraw/zinc/98/00/92/949980092.db2.gz GVWIWPRXKXBWQW-RDTXWAMCSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1ccncn1 ZINC001574974337 949979970 /nfs/dbraw/zinc/97/99/70/949979970.db2.gz OJPIXXGXKMAVFE-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1ccncn1 ZINC001574974337 949979987 /nfs/dbraw/zinc/97/99/87/949979987.db2.gz OJPIXXGXKMAVFE-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccncn1 ZINC001574148422 949982454 /nfs/dbraw/zinc/98/24/54/949982454.db2.gz MVUGFEFNMRDEFL-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccncn1 ZINC001574148422 949982469 /nfs/dbraw/zinc/98/24/69/949982469.db2.gz MVUGFEFNMRDEFL-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001575891104 949983438 /nfs/dbraw/zinc/98/34/38/949983438.db2.gz DXXINPSDWOUIBW-OLZOCXBDSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573830997 949983838 /nfs/dbraw/zinc/98/38/38/949983838.db2.gz QBRAFUABRQQIQE-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573830997 949983849 /nfs/dbraw/zinc/98/38/49/949983849.db2.gz QBRAFUABRQQIQE-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575286716 949987277 /nfs/dbraw/zinc/98/72/77/949987277.db2.gz XUVGEGOPHKQYBL-ZMZPIMSZSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001574148731 949988821 /nfs/dbraw/zinc/98/88/21/949988821.db2.gz PGHUOHSSXWFRQS-QWHCGFSZSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001574148731 949988844 /nfs/dbraw/zinc/98/88/44/949988844.db2.gz PGHUOHSSXWFRQS-QWHCGFSZSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)COCC(F)F ZINC001575891164 949991660 /nfs/dbraw/zinc/99/16/60/949991660.db2.gz FZBWXAIYUYHDSJ-RKDXNWHRSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)COCC(F)F ZINC001575891164 949991675 /nfs/dbraw/zinc/99/16/75/949991675.db2.gz FZBWXAIYUYHDSJ-RKDXNWHRSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575573333 949991590 /nfs/dbraw/zinc/99/15/90/949991590.db2.gz LVWOUKGVEFHUPX-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCOC1 ZINC001575573333 949991607 /nfs/dbraw/zinc/99/16/07/949991607.db2.gz LVWOUKGVEFHUPX-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574148829 949991616 /nfs/dbraw/zinc/99/16/16/949991616.db2.gz QYCQBCLYXBACCO-RMRHIDDWSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574148829 949991632 /nfs/dbraw/zinc/99/16/32/949991632.db2.gz QYCQBCLYXBACCO-RMRHIDDWSA-N -1 3 387.444 0.348 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574490365 949993140 /nfs/dbraw/zinc/99/31/40/949993140.db2.gz QFWZJBGBLFVGNQ-QWRGUYRKSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574490365 949993161 /nfs/dbraw/zinc/99/31/61/949993161.db2.gz QFWZJBGBLFVGNQ-QWRGUYRKSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cccnn1 ZINC001574148783 949993330 /nfs/dbraw/zinc/99/33/30/949993330.db2.gz QBWCVUDIGPXRFT-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cccnn1 ZINC001574148783 949993350 /nfs/dbraw/zinc/99/33/50/949993350.db2.gz QBWCVUDIGPXRFT-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCOC1 ZINC001574148835 949994168 /nfs/dbraw/zinc/99/41/68/949994168.db2.gz QZJACCOUOCLFSK-NWDGAFQWSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCOC1 ZINC001574148835 949994203 /nfs/dbraw/zinc/99/42/03/949994203.db2.gz QZJACCOUOCLFSK-NWDGAFQWSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1n[nH]cc1F ZINC001574148827 949995040 /nfs/dbraw/zinc/99/50/40/949995040.db2.gz QYAHJCJWFJAVOS-SNVBAGLBSA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1n[nH]cc1F ZINC001574148827 949995063 /nfs/dbraw/zinc/99/50/63/949995063.db2.gz QYAHJCJWFJAVOS-SNVBAGLBSA-N -1 3 389.395 0.632 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575891235 949996801 /nfs/dbraw/zinc/99/68/01/949996801.db2.gz GVQZVZAJFOOSLK-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575891235 949996819 /nfs/dbraw/zinc/99/68/19/949996819.db2.gz GVQZVZAJFOOSLK-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1c(F)cncc1F ZINC001574974669 949997226 /nfs/dbraw/zinc/99/72/26/949997226.db2.gz RMGKDENPXMKVSK-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1c(F)cncc1F ZINC001574974669 949997245 /nfs/dbraw/zinc/99/72/45/949997245.db2.gz RMGKDENPXMKVSK-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COC(C)C ZINC001574148871 949998378 /nfs/dbraw/zinc/99/83/78/949998378.db2.gz ROAHMJFOAVUKKW-ZDUSSCGKSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC(C)C ZINC001574148871 949998387 /nfs/dbraw/zinc/99/83/87/949998387.db2.gz ROAHMJFOAVUKKW-ZDUSSCGKSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC(C)(C)O ZINC001574148841 949998502 /nfs/dbraw/zinc/99/85/02/949998502.db2.gz RCDFDMNEEKBHEA-LBPRGKRZSA-N -1 3 377.449 0.617 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC(C)(C)O ZINC001574148841 949998515 /nfs/dbraw/zinc/99/85/15/949998515.db2.gz RCDFDMNEEKBHEA-LBPRGKRZSA-N -1 3 377.449 0.617 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575891314 950000153 /nfs/dbraw/zinc/00/01/53/950000153.db2.gz HWOQYNMGSUYHFH-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575891314 950000171 /nfs/dbraw/zinc/00/01/71/950000171.db2.gz HWOQYNMGSUYHFH-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1c[nH]cn1 ZINC001574148838 950000640 /nfs/dbraw/zinc/00/06/40/950000640.db2.gz RBUWINNNCOIBBX-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnnc1 ZINC001574149118 950003529 /nfs/dbraw/zinc/00/35/29/950003529.db2.gz SVSUFAKGJLGZLU-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnnc1 ZINC001574149118 950003546 /nfs/dbraw/zinc/00/35/46/950003546.db2.gz SVSUFAKGJLGZLU-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cnsn1 ZINC001575891453 950005945 /nfs/dbraw/zinc/00/59/45/950005945.db2.gz JXJWRLMLOYTNNN-IUCAKERBSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cnsn1 ZINC001575891453 950005967 /nfs/dbraw/zinc/00/59/67/950005967.db2.gz JXJWRLMLOYTNNN-IUCAKERBSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575891417 950006286 /nfs/dbraw/zinc/00/62/86/950006286.db2.gz JMDRKXUOLUWRET-QWRGUYRKSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575891417 950006304 /nfs/dbraw/zinc/00/63/04/950006304.db2.gz JMDRKXUOLUWRET-QWRGUYRKSA-N -1 3 387.400 0.192 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cncnc1 ZINC001574149512 950008944 /nfs/dbraw/zinc/00/89/44/950008944.db2.gz VQWVDAYIZNSFFH-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cncnc1 ZINC001574149512 950008963 /nfs/dbraw/zinc/00/89/63/950008963.db2.gz VQWVDAYIZNSFFH-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC(C)(C)O ZINC001574149223 950009710 /nfs/dbraw/zinc/00/97/10/950009710.db2.gz VITJUHGEEVYKQD-LLVKDONJSA-N -1 3 377.449 0.617 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC(C)(C)O ZINC001574149223 950009733 /nfs/dbraw/zinc/00/97/33/950009733.db2.gz VITJUHGEEVYKQD-LLVKDONJSA-N -1 3 377.449 0.617 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001574490655 950010350 /nfs/dbraw/zinc/01/03/50/950010350.db2.gz WVLGMKCEWBSYFK-QEJZJMRPSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001574490655 950010372 /nfs/dbraw/zinc/01/03/72/950010372.db2.gz WVLGMKCEWBSYFK-QEJZJMRPSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574490686 950010744 /nfs/dbraw/zinc/01/07/44/950010744.db2.gz XJEAYKIDPWGANS-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574490686 950010766 /nfs/dbraw/zinc/01/07/66/950010766.db2.gz XJEAYKIDPWGANS-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1ccnn1C ZINC001574975051 950011680 /nfs/dbraw/zinc/01/16/80/950011680.db2.gz VQNHCEBOWLCNAS-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1ccnn1C ZINC001574975051 950011704 /nfs/dbraw/zinc/01/17/04/950011704.db2.gz VQNHCEBOWLCNAS-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ccon1 ZINC001574150149 950013618 /nfs/dbraw/zinc/01/36/18/950013618.db2.gz YGFNJSLHYCDEHB-LBPRGKRZSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ccon1 ZINC001574150149 950013636 /nfs/dbraw/zinc/01/36/36/950013636.db2.gz YGFNJSLHYCDEHB-LBPRGKRZSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001574149678 950015269 /nfs/dbraw/zinc/01/52/69/950015269.db2.gz WZJKPPYIFQTJQH-RISCZKNCSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001574149678 950015286 /nfs/dbraw/zinc/01/52/86/950015286.db2.gz WZJKPPYIFQTJQH-RISCZKNCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nc(C2CC2)nn1C ZINC001574975234 950019897 /nfs/dbraw/zinc/01/98/97/950019897.db2.gz HEAHMDQZHPKDGV-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nc(C2CC2)nn1C ZINC001574975234 950019917 /nfs/dbraw/zinc/01/99/17/950019917.db2.gz HEAHMDQZHPKDGV-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cccnn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574150223 950021224 /nfs/dbraw/zinc/02/12/24/950021224.db2.gz AGJPOHUHOGYTOE-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cccnn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574150223 950021248 /nfs/dbraw/zinc/02/12/48/950021248.db2.gz AGJPOHUHOGYTOE-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@@H]1CCCCO1 ZINC001574975179 950021547 /nfs/dbraw/zinc/02/15/47/950021547.db2.gz FZNHEBRXKUSYAK-YPMHNXCESA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@@H]1CCCCO1 ZINC001574975179 950021570 /nfs/dbraw/zinc/02/15/70/950021570.db2.gz FZNHEBRXKUSYAK-YPMHNXCESA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H](C)NC(N)=O ZINC001574490829 950021528 /nfs/dbraw/zinc/02/15/28/950021528.db2.gz ZVSMFWCIBRMKCT-BDAKNGLRSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H](C)NC(N)=O ZINC001574490829 950021550 /nfs/dbraw/zinc/02/15/50/950021550.db2.gz ZVSMFWCIBRMKCT-BDAKNGLRSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1csnn1 ZINC001575891675 950024419 /nfs/dbraw/zinc/02/44/19/950024419.db2.gz MMVIEEAEQUKSRI-DTWKUNHWSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1csnn1 ZINC001575891675 950024440 /nfs/dbraw/zinc/02/44/40/950024440.db2.gz MMVIEEAEQUKSRI-DTWKUNHWSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccncn1 ZINC001574150384 950028613 /nfs/dbraw/zinc/02/86/13/950028613.db2.gz ZLWWYIMJLUBVGU-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccncn1 ZINC001574150384 950028636 /nfs/dbraw/zinc/02/86/36/950028636.db2.gz ZLWWYIMJLUBVGU-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576182049 950032246 /nfs/dbraw/zinc/03/22/46/950032246.db2.gz XOTOVUJIRHXSMS-FZMZJTMJSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576182049 950032264 /nfs/dbraw/zinc/03/22/64/950032264.db2.gz XOTOVUJIRHXSMS-FZMZJTMJSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ncccc1F ZINC001575891807 950032586 /nfs/dbraw/zinc/03/25/86/950032586.db2.gz NZGDIMXAVGXOCH-MWLCHTKSSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ncccc1F ZINC001575891807 950032614 /nfs/dbraw/zinc/03/26/14/950032614.db2.gz NZGDIMXAVGXOCH-MWLCHTKSSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)N1CCCC[C@@H]1C ZINC001574975375 950033860 /nfs/dbraw/zinc/03/38/60/950033860.db2.gz XHNRJGDWAMNLSA-QWHCGFSZSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576182055 950035693 /nfs/dbraw/zinc/03/56/93/950035693.db2.gz XOTOVUJIRHXSMS-SMDDNHRTSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576182055 950035714 /nfs/dbraw/zinc/03/57/14/950035714.db2.gz XOTOVUJIRHXSMS-SMDDNHRTSA-N -1 3 382.432 0.743 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574975750 950040076 /nfs/dbraw/zinc/04/00/76/950040076.db2.gz ZLDFETNTTWZQKY-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574975750 950040096 /nfs/dbraw/zinc/04/00/96/950040096.db2.gz ZLDFETNTTWZQKY-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150829 950041217 /nfs/dbraw/zinc/04/12/17/950041217.db2.gz FBYUUYGEYWFXJD-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150829 950041238 /nfs/dbraw/zinc/04/12/38/950041238.db2.gz FBYUUYGEYWFXJD-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150805 950041643 /nfs/dbraw/zinc/04/16/43/950041643.db2.gz DJHAMFFDQGQKAO-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150805 950041670 /nfs/dbraw/zinc/04/16/70/950041670.db2.gz DJHAMFFDQGQKAO-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001573835227 950041958 /nfs/dbraw/zinc/04/19/58/950041958.db2.gz RLWYHRRFRCADQI-GWCFXTLKSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001573835227 950041977 /nfs/dbraw/zinc/04/19/77/950041977.db2.gz RLWYHRRFRCADQI-GWCFXTLKSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCO1 ZINC001574491577 950042050 /nfs/dbraw/zinc/04/20/50/950042050.db2.gz DRRZBIJNVYSCEC-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCO1 ZINC001574491577 950042078 /nfs/dbraw/zinc/04/20/78/950042078.db2.gz DRRZBIJNVYSCEC-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)NCCC(C)(C)C ZINC001574975665 950043848 /nfs/dbraw/zinc/04/38/48/950043848.db2.gz YCWGDUMAWWSLMN-GFCCVEGCSA-N -1 3 390.492 0.797 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CC2)CCCS1(=O)=O ZINC001575575200 950043773 /nfs/dbraw/zinc/04/37/73/950043773.db2.gz FIFNKBHWIDRAOS-HNNXBMFYSA-N -1 3 391.457 0.290 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CC2)CCCS1(=O)=O ZINC001575575200 950043794 /nfs/dbraw/zinc/04/37/94/950043794.db2.gz FIFNKBHWIDRAOS-HNNXBMFYSA-N -1 3 391.457 0.290 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574731383 950045626 /nfs/dbraw/zinc/04/56/26/950045626.db2.gz CVXOGDLWAPYIKE-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)C[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574731383 950045645 /nfs/dbraw/zinc/04/56/45/950045645.db2.gz CVXOGDLWAPYIKE-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1csnn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151001 950048484 /nfs/dbraw/zinc/04/84/84/950048484.db2.gz IZGGAIXHFUOLQU-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1csnn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151001 950048504 /nfs/dbraw/zinc/04/85/04/950048504.db2.gz IZGGAIXHFUOLQU-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574731283 950050250 /nfs/dbraw/zinc/05/02/50/950050250.db2.gz CLYJEHHNMIZRSK-GFCCVEGCSA-N -1 3 384.448 0.358 20 0 GCADHM C[C@@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCC2)CCCOC1 ZINC001575575471 950050537 /nfs/dbraw/zinc/05/05/37/950050537.db2.gz JKMBATMWGRDSQU-QGZVFWFLSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC2)CCCOC1 ZINC001575575471 950050557 /nfs/dbraw/zinc/05/05/57/950050557.db2.gz JKMBATMWGRDSQU-QGZVFWFLSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001574976098 950053976 /nfs/dbraw/zinc/05/39/76/950053976.db2.gz LXKXZZLQXXCJGU-SNVBAGLBSA-N -1 3 385.432 0.141 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001574976098 950053997 /nfs/dbraw/zinc/05/39/97/950053997.db2.gz LXKXZZLQXXCJGU-SNVBAGLBSA-N -1 3 385.432 0.141 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575892163 950054858 /nfs/dbraw/zinc/05/48/58/950054858.db2.gz SLKJGQHOJOFWCP-OVKLUEDNSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575892163 950054881 /nfs/dbraw/zinc/05/48/81/950054881.db2.gz SLKJGQHOJOFWCP-OVKLUEDNSA-N -1 3 385.428 0.197 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001576182475 950056112 /nfs/dbraw/zinc/05/61/12/950056112.db2.gz MFKKDLALMQAVBH-CYBMUJFWSA-N -1 3 386.460 0.257 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001576182475 950056137 /nfs/dbraw/zinc/05/61/37/950056137.db2.gz MFKKDLALMQAVBH-CYBMUJFWSA-N -1 3 386.460 0.257 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC001575575772 950056907 /nfs/dbraw/zinc/05/69/07/950056907.db2.gz LEFMRUOZXVTGNF-NSHDSACASA-N -1 3 378.408 0.712 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC001575575772 950056929 /nfs/dbraw/zinc/05/69/29/950056929.db2.gz LEFMRUOZXVTGNF-NSHDSACASA-N -1 3 378.408 0.712 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnsn1 ZINC001574151146 950060898 /nfs/dbraw/zinc/06/08/98/950060898.db2.gz LYQMCMAXSRXBQB-SECBINFHSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnsn1 ZINC001574151146 950060920 /nfs/dbraw/zinc/06/09/20/950060920.db2.gz LYQMCMAXSRXBQB-SECBINFHSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001574492204 950066650 /nfs/dbraw/zinc/06/66/50/950066650.db2.gz LALOMBREQNGODP-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001574492204 950066673 /nfs/dbraw/zinc/06/66/73/950066673.db2.gz LALOMBREQNGODP-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nsc(N(C)C)n1 ZINC001574976368 950068571 /nfs/dbraw/zinc/06/85/71/950068571.db2.gz RHTKDDKSNUQIKW-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nsc(N(C)C)n1 ZINC001574976368 950068591 /nfs/dbraw/zinc/06/85/91/950068591.db2.gz RHTKDDKSNUQIKW-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574976341 950069265 /nfs/dbraw/zinc/06/92/65/950069265.db2.gz QOGCKEVBGBOMHJ-WDEREUQCSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574976341 950069287 /nfs/dbraw/zinc/06/92/87/950069287.db2.gz QOGCKEVBGBOMHJ-WDEREUQCSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575892469 950069392 /nfs/dbraw/zinc/06/93/92/950069392.db2.gz WKTKWQZUKJQXON-WDEREUQCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575892469 950069408 /nfs/dbraw/zinc/06/94/08/950069408.db2.gz WKTKWQZUKJQXON-WDEREUQCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182882 950070796 /nfs/dbraw/zinc/07/07/96/950070796.db2.gz NUZAIVABCHYYMF-VXGBXAGGSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182882 950070814 /nfs/dbraw/zinc/07/08/14/950070814.db2.gz NUZAIVABCHYYMF-VXGBXAGGSA-N -1 3 382.432 0.519 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnsn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151311 950071191 /nfs/dbraw/zinc/07/11/91/950071191.db2.gz PCWCXCHVTQOVJO-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnsn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151311 950071205 /nfs/dbraw/zinc/07/12/05/950071205.db2.gz PCWCXCHVTQOVJO-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CCOCC2)CCOC1 ZINC001575576499 950071403 /nfs/dbraw/zinc/07/14/03/950071403.db2.gz QCZIJNIQVIJMMV-KRWDZBQOSA-N -1 3 387.444 0.766 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CCOCC2)CCOC1 ZINC001575576499 950071423 /nfs/dbraw/zinc/07/14/23/950071423.db2.gz QCZIJNIQVIJMMV-KRWDZBQOSA-N -1 3 387.444 0.766 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC001575576461 950072282 /nfs/dbraw/zinc/07/22/82/950072282.db2.gz POXYYOWARXGIOC-GFCCVEGCSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC001575576461 950072299 /nfs/dbraw/zinc/07/22/99/950072299.db2.gz POXYYOWARXGIOC-GFCCVEGCSA-N -1 3 375.433 0.372 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575892608 950075017 /nfs/dbraw/zinc/07/50/17/950075017.db2.gz YIURJFMMFMHLFM-QWHCGFSZSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575892608 950075046 /nfs/dbraw/zinc/07/50/46/950075046.db2.gz YIURJFMMFMHLFM-QWHCGFSZSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCCOC1 ZINC001575576628 950075787 /nfs/dbraw/zinc/07/57/87/950075787.db2.gz SFYJRQROWLTSFP-BDJLRTHQSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@@H](CN(C)C(=O)Cn1cc(Cl)cn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574732534 950075648 /nfs/dbraw/zinc/07/56/48/950075648.db2.gz 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20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cncc(F)c1 ZINC001574976465 950077934 /nfs/dbraw/zinc/07/79/34/950077934.db2.gz UBHFISUZUJZERN-SNVBAGLBSA-N -1 3 386.391 0.596 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cncc(F)c1 ZINC001574976465 950077955 /nfs/dbraw/zinc/07/79/55/950077955.db2.gz UBHFISUZUJZERN-SNVBAGLBSA-N -1 3 386.391 0.596 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573836252 950078727 /nfs/dbraw/zinc/07/87/27/950078727.db2.gz IDGADTAEUMPICK-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573836252 950078746 /nfs/dbraw/zinc/07/87/46/950078746.db2.gz IDGADTAEUMPICK-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574976517 950078991 /nfs/dbraw/zinc/07/89/91/950078991.db2.gz URHHTFCYYZTIEH-YMTOWFKASA-N -1 3 383.387 0.908 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574976517 950079000 /nfs/dbraw/zinc/07/90/00/950079000.db2.gz URHHTFCYYZTIEH-YMTOWFKASA-N -1 3 383.387 0.908 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574492314 950079215 /nfs/dbraw/zinc/07/92/15/950079215.db2.gz LZRXTLNUKCEPJL-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574492314 950079240 /nfs/dbraw/zinc/07/92/40/950079240.db2.gz LZRXTLNUKCEPJL-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575892637 950081439 /nfs/dbraw/zinc/08/14/39/950081439.db2.gz YOMMCLWMUSJKDL-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575892637 950081461 /nfs/dbraw/zinc/08/14/61/950081461.db2.gz YOMMCLWMUSJKDL-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151452 950081452 /nfs/dbraw/zinc/08/14/52/950081452.db2.gz RILBBKQOJGRYKU-JTQLQIEISA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151452 950081475 /nfs/dbraw/zinc/08/14/75/950081475.db2.gz RILBBKQOJGRYKU-JTQLQIEISA-N -1 3 389.395 0.632 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)c1cc(Cl)c(=O)[nH]n1 ZINC001574976522 950082364 /nfs/dbraw/zinc/08/23/64/950082364.db2.gz UTOXWXSEEYNNAD-SSDOTTSWSA-N -1 3 377.796 0.599 20 0 GCADHM CC1CCN(C(=O)CN2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001576183304 950082747 /nfs/dbraw/zinc/08/27/47/950082747.db2.gz PDFWGXROXZANPR-UHFFFAOYSA-N -1 3 386.460 0.115 20 0 GCADHM CC1CCN(C(=O)CN2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001576183304 950082769 /nfs/dbraw/zinc/08/27/69/950082769.db2.gz PDFWGXROXZANPR-UHFFFAOYSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576183401 950085296 /nfs/dbraw/zinc/08/52/96/950085296.db2.gz RHJDVMNZCKAAJZ-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576183401 950085318 /nfs/dbraw/zinc/08/53/18/950085318.db2.gz RHJDVMNZCKAAJZ-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574492470 950085487 /nfs/dbraw/zinc/08/54/87/950085487.db2.gz NDKDUJWCPJCKTR-QWRGUYRKSA-N -1 3 392.489 0.456 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575893452 950087245 /nfs/dbraw/zinc/08/72/45/950087245.db2.gz AAKSVMQVKKXMNH-ZWNOBZJWSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575893452 950087264 /nfs/dbraw/zinc/08/72/64/950087264.db2.gz AAKSVMQVKKXMNH-ZWNOBZJWSA-N -1 3 382.432 0.365 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573836726 950087232 /nfs/dbraw/zinc/08/72/32/950087232.db2.gz OYHAZXJSKWPGHP-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573836726 950087250 /nfs/dbraw/zinc/08/72/50/950087250.db2.gz OYHAZXJSKWPGHP-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001573836703 950087668 /nfs/dbraw/zinc/08/76/68/950087668.db2.gz NZNVYVJLNXZXHF-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001573836703 950087684 /nfs/dbraw/zinc/08/76/84/950087684.db2.gz NZNVYVJLNXZXHF-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575893910 950090643 /nfs/dbraw/zinc/09/06/43/950090643.db2.gz BVLXQJZOWHZQGB-QWRGUYRKSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575893910 950090660 /nfs/dbraw/zinc/09/06/60/950090660.db2.gz BVLXQJZOWHZQGB-QWRGUYRKSA-N -1 3 383.416 0.351 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCC1 ZINC001575577960 950090900 /nfs/dbraw/zinc/09/09/00/950090900.db2.gz ZECBBMZONHKPPT-NSHDSACASA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCC1 ZINC001575577960 950090923 /nfs/dbraw/zinc/09/09/23/950090923.db2.gz ZECBBMZONHKPPT-NSHDSACASA-N -1 3 375.433 0.372 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C)c1 ZINC001574151686 950093956 /nfs/dbraw/zinc/09/39/56/950093956.db2.gz YAKQTBQXKFRCCL-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C)c1 ZINC001574151686 950093974 /nfs/dbraw/zinc/09/39/74/950093974.db2.gz YAKQTBQXKFRCCL-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1ncc(Cl)n1C ZINC001574976757 950095479 /nfs/dbraw/zinc/09/54/79/950095479.db2.gz ZUZOSXUEBOIJDO-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1ncc(Cl)n1C ZINC001574976757 950095503 /nfs/dbraw/zinc/09/55/03/950095503.db2.gz ZUZOSXUEBOIJDO-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573836838 950099523 /nfs/dbraw/zinc/09/95/23/950099523.db2.gz SJHAQZMCKCWFPO-BETUJISGSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573836838 950099544 /nfs/dbraw/zinc/09/95/44/950099544.db2.gz SJHAQZMCKCWFPO-BETUJISGSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575894441 950101218 /nfs/dbraw/zinc/10/12/18/950101218.db2.gz DQGGCVXFTGIBHE-MFKMUULPSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575894441 950101229 /nfs/dbraw/zinc/10/12/29/950101229.db2.gz DQGGCVXFTGIBHE-MFKMUULPSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574492735 950102377 /nfs/dbraw/zinc/10/23/77/950102377.db2.gz PKXCFQVPGIQREP-OLZOCXBDSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574492735 950102385 /nfs/dbraw/zinc/10/23/85/950102385.db2.gz PKXCFQVPGIQREP-OLZOCXBDSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574492752 950102973 /nfs/dbraw/zinc/10/29/73/950102973.db2.gz CJBILVMEXBQPSQ-NEPJUHHUSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574492752 950102987 /nfs/dbraw/zinc/10/29/87/950102987.db2.gz CJBILVMEXBQPSQ-NEPJUHHUSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](CNCc1cnsn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574152412 950102986 /nfs/dbraw/zinc/10/29/86/950102986.db2.gz BOKBGVLGMAEZHO-SNVBAGLBSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)C[C@H](CNCc1cnsn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574152412 950102998 /nfs/dbraw/zinc/10/29/98/950102998.db2.gz BOKBGVLGMAEZHO-SNVBAGLBSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccn2c1CCCC2 ZINC001574976962 950105767 /nfs/dbraw/zinc/10/57/67/950105767.db2.gz DFMUUKCUMCUNFC-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccn2c1CCCC2 ZINC001574976962 950105781 /nfs/dbraw/zinc/10/57/81/950105781.db2.gz DFMUUKCUMCUNFC-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccc(F)cc1F ZINC001574977033 950109050 /nfs/dbraw/zinc/10/90/50/950109050.db2.gz FJTFWPNHBKXNCJ-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccc(F)cc1F ZINC001574977033 950109073 /nfs/dbraw/zinc/10/90/73/950109073.db2.gz FJTFWPNHBKXNCJ-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574152563 950111156 /nfs/dbraw/zinc/11/11/56/950111156.db2.gz GGMODWZKDMHOIQ-GXTWGEPZSA-N -1 3 387.448 0.228 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574152563 950111176 /nfs/dbraw/zinc/11/11/76/950111176.db2.gz GGMODWZKDMHOIQ-GXTWGEPZSA-N -1 3 387.448 0.228 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001574977093 950111825 /nfs/dbraw/zinc/11/18/25/950111825.db2.gz GVFAXLBOMWQMHC-YMTOWFKASA-N -1 3 386.391 0.268 20 0 GCADHM CC(C)C[C@@H](CNCc1cnsn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574152558 950113522 /nfs/dbraw/zinc/11/35/22/950113522.db2.gz GGAYRTYOXFCYSO-NSHDSACASA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)C[C@@H](CNCc1cnsn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574152558 950113534 /nfs/dbraw/zinc/11/35/34/950113534.db2.gz GGAYRTYOXFCYSO-NSHDSACASA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574152611 950113836 /nfs/dbraw/zinc/11/38/36/950113836.db2.gz HKUVBPRFXSXEPD-GXTWGEPZSA-N -1 3 386.460 0.683 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574152611 950113844 /nfs/dbraw/zinc/11/38/44/950113844.db2.gz HKUVBPRFXSXEPD-GXTWGEPZSA-N -1 3 386.460 0.683 20 0 GCADHM CC1CCN(C(=O)CN2CC(N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001576184101 950119003 /nfs/dbraw/zinc/11/90/03/950119003.db2.gz TXSAPJGDUBDRKK-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC1CCN(C(=O)CN2CC(N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001576184101 950119009 /nfs/dbraw/zinc/11/90/09/950119009.db2.gz TXSAPJGDUBDRKK-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3cccc(F)c3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575582621 950119991 /nfs/dbraw/zinc/11/99/91/950119991.db2.gz LOIPGVHTCYKYLG-KRWDZBQOSA-N -1 3 387.419 0.983 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3cccc(F)c3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575582621 950120007 /nfs/dbraw/zinc/12/00/07/950120007.db2.gz LOIPGVHTCYKYLG-KRWDZBQOSA-N -1 3 387.419 0.983 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575896142 950122345 /nfs/dbraw/zinc/12/23/45/950122345.db2.gz KOTIXKBGAWCHRE-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575896142 950122369 /nfs/dbraw/zinc/12/23/69/950122369.db2.gz KOTIXKBGAWCHRE-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574977569 950123416 /nfs/dbraw/zinc/12/34/16/950123416.db2.gz LKIJNLIMKIGJFX-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574977569 950123430 /nfs/dbraw/zinc/12/34/30/950123430.db2.gz LKIJNLIMKIGJFX-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccncn2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575896176 950124130 /nfs/dbraw/zinc/12/41/30/950124130.db2.gz LEXOWFWSMZOKKU-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccncn2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575896176 950124137 /nfs/dbraw/zinc/12/41/37/950124137.db2.gz LEXOWFWSMZOKKU-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574733909 950124786 /nfs/dbraw/zinc/12/47/86/950124786.db2.gz GUCBSJIBODCJBN-JUFZMCDQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574733909 950124800 /nfs/dbraw/zinc/12/48/00/950124800.db2.gz GUCBSJIBODCJBN-JUFZMCDQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C(F)F)c1 ZINC001574977625 950125583 /nfs/dbraw/zinc/12/55/83/950125583.db2.gz MZKLUAZIVMUHAR-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C(F)F)c1 ZINC001574977625 950125591 /nfs/dbraw/zinc/12/55/91/950125591.db2.gz MZKLUAZIVMUHAR-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576184427 950129434 /nfs/dbraw/zinc/12/94/34/950129434.db2.gz WJAWXOPDXQBDLA-BXUZGUMPSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576184427 950129452 /nfs/dbraw/zinc/12/94/52/950129452.db2.gz WJAWXOPDXQBDLA-BXUZGUMPSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575896515 950130200 /nfs/dbraw/zinc/13/02/00/950130200.db2.gz MKTQXXNPSNUOKZ-CMPLNLGQSA-N -1 3 387.473 0.840 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575896737 950130714 /nfs/dbraw/zinc/13/07/14/950130714.db2.gz NAVKCYMPICPGTH-ZYHUDNBSSA-N -1 3 387.473 0.840 20 0 GCADHM CC(C)[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574493408 950132478 /nfs/dbraw/zinc/13/24/78/950132478.db2.gz GTWKJPTVGAVJIU-CMPLNLGQSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574493408 950132493 /nfs/dbraw/zinc/13/24/93/950132493.db2.gz GTWKJPTVGAVJIU-CMPLNLGQSA-N -1 3 375.437 0.261 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896428 950132640 /nfs/dbraw/zinc/13/26/40/950132640.db2.gz MGKKWQVUJYNYNG-ZWNOBZJWSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896428 950132648 /nfs/dbraw/zinc/13/26/48/950132648.db2.gz MGKKWQVUJYNYNG-ZWNOBZJWSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574734409 950132982 /nfs/dbraw/zinc/13/29/82/950132982.db2.gz LVKJLJHRFISEPS-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574734409 950132995 /nfs/dbraw/zinc/13/29/95/950132995.db2.gz LVKJLJHRFISEPS-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575896530 950132920 /nfs/dbraw/zinc/13/29/20/950132920.db2.gz MKTQXXNPSNUOKZ-ZYHUDNBSSA-N -1 3 387.473 0.840 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574153210 950136196 /nfs/dbraw/zinc/13/61/96/950136196.db2.gz PHASYPWFMREHQO-OCCSQVGLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574153210 950136207 /nfs/dbraw/zinc/13/62/07/950136207.db2.gz PHASYPWFMREHQO-OCCSQVGLSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574493599 950138544 /nfs/dbraw/zinc/13/85/44/950138544.db2.gz UQNANVFYCXUWPQ-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574493599 950138554 /nfs/dbraw/zinc/13/85/54/950138554.db2.gz UQNANVFYCXUWPQ-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM CC(C)(C)CCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573842365 950140526 /nfs/dbraw/zinc/14/05/26/950140526.db2.gz BGDLEOZOMJMUOV-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573842365 950140538 /nfs/dbraw/zinc/14/05/38/950140538.db2.gz BGDLEOZOMJMUOV-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CN1CCCC1=O ZINC001574153517 950145378 /nfs/dbraw/zinc/14/53/78/950145378.db2.gz UKVVRLTZRHDXTP-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CN1CCCC1=O ZINC001574153517 950145393 /nfs/dbraw/zinc/14/53/93/950145393.db2.gz UKVVRLTZRHDXTP-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574734801 950146373 /nfs/dbraw/zinc/14/63/73/950146373.db2.gz RPBLHUXRULSSEN-BXKDBHETSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574734801 950146381 /nfs/dbraw/zinc/14/63/81/950146381.db2.gz RPBLHUXRULSSEN-BXKDBHETSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)NC(N)=O ZINC001574494010 950149748 /nfs/dbraw/zinc/14/97/48/950149748.db2.gz WPXHOHVZPSAZBK-MFKMUULPSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574979352 950151198 /nfs/dbraw/zinc/15/11/98/950151198.db2.gz YNZOBOJRXYJCFH-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574979352 950151210 /nfs/dbraw/zinc/15/12/10/950151210.db2.gz YNZOBOJRXYJCFH-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM CC(C)(C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573842640 950153773 /nfs/dbraw/zinc/15/37/73/950153773.db2.gz JLUJBBPBAJGDHB-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573842640 950153785 /nfs/dbraw/zinc/15/37/85/950153785.db2.gz JLUJBBPBAJGDHB-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574979411 950154311 /nfs/dbraw/zinc/15/43/11/950154311.db2.gz ZCDLUQAFLUTVIN-VIFPVBQESA-N -1 3 383.416 0.345 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574734968 950154887 /nfs/dbraw/zinc/15/48/87/950154887.db2.gz WCNJJIDOPZHHAS-ATVPRXPUSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574734968 950154900 /nfs/dbraw/zinc/15/49/00/950154900.db2.gz WCNJJIDOPZHHAS-ATVPRXPUSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1ccnc1 ZINC001574494307 950159758 /nfs/dbraw/zinc/15/97/58/950159758.db2.gz KASNPSALOHPOMZ-NWDGAFQWSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1ccnc1 ZINC001574494307 950159770 /nfs/dbraw/zinc/15/97/70/950159770.db2.gz KASNPSALOHPOMZ-NWDGAFQWSA-N -1 3 388.407 0.743 20 0 GCADHM CC(C)(C)CCC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573842966 950159818 /nfs/dbraw/zinc/15/98/18/950159818.db2.gz OECKCZJPGXXDMH-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CCC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573842966 950159826 /nfs/dbraw/zinc/15/98/26/950159826.db2.gz OECKCZJPGXXDMH-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)C1(F)CCOCC1 ZINC001574982327 950160273 /nfs/dbraw/zinc/16/02/73/950160273.db2.gz BKCOHGVCXYXXGK-SNVBAGLBSA-N -1 3 379.396 0.196 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)C1(F)CCOCC1 ZINC001574982327 950160288 /nfs/dbraw/zinc/16/02/88/950160288.db2.gz BKCOHGVCXYXXGK-SNVBAGLBSA-N -1 3 379.396 0.196 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576185145 950160571 /nfs/dbraw/zinc/16/05/71/950160571.db2.gz ZRUBLCUCCSRKKD-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576185145 950160588 /nfs/dbraw/zinc/16/05/88/950160588.db2.gz ZRUBLCUCCSRKKD-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001574154035 950161989 /nfs/dbraw/zinc/16/19/89/950161989.db2.gz ZUQCNIWMMOHFRL-KGLIPLIRSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001574154035 950161998 /nfs/dbraw/zinc/16/19/98/950161998.db2.gz ZUQCNIWMMOHFRL-KGLIPLIRSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)c1ccon1 ZINC001576190450 950164124 /nfs/dbraw/zinc/16/41/24/950164124.db2.gz BPTXKKDXIFBPPD-QWRGUYRKSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncc(F)cc1F ZINC001574738062 950164230 /nfs/dbraw/zinc/16/42/30/950164230.db2.gz BMJPHKJXMPULTH-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)c1ccon1 ZINC001576190450 950164134 /nfs/dbraw/zinc/16/41/34/950164134.db2.gz BPTXKKDXIFBPPD-QWRGUYRKSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncc(F)cc1F ZINC001574738062 950164240 /nfs/dbraw/zinc/16/42/40/950164240.db2.gz BMJPHKJXMPULTH-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC1)NC(N)=O ZINC001574494442 950166243 /nfs/dbraw/zinc/16/62/43/950166243.db2.gz YSKSDDWWYIAERT-NSHDSACASA-N -1 3 387.448 0.550 20 0 GCADHM C[C@@H](CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC1)NC(N)=O ZINC001574494442 950166253 /nfs/dbraw/zinc/16/62/53/950166253.db2.gz YSKSDDWWYIAERT-NSHDSACASA-N -1 3 387.448 0.550 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccnn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899507 950171204 /nfs/dbraw/zinc/17/12/04/950171204.db2.gz WZWKMADVVDVWFP-GHMZBOCLSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccnn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899507 950171214 /nfs/dbraw/zinc/17/12/14/950171214.db2.gz WZWKMADVVDVWFP-GHMZBOCLSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(CCF)c1 ZINC001574738360 950171970 /nfs/dbraw/zinc/17/19/70/950171970.db2.gz FHJDRFDKDHJNAT-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(CCF)c1 ZINC001574738360 950171976 /nfs/dbraw/zinc/17/19/76/950171976.db2.gz FHJDRFDKDHJNAT-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575899536 950173902 /nfs/dbraw/zinc/17/39/02/950173902.db2.gz XOGFVDIPUBYVBN-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899536 950173916 /nfs/dbraw/zinc/17/39/16/950173916.db2.gz XOGFVDIPUBYVBN-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cocn2)C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576190899 950175183 /nfs/dbraw/zinc/17/51/83/950175183.db2.gz CJUDWJMQPXMHOC-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cocn2)C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576190899 950175199 /nfs/dbraw/zinc/17/51/99/950175199.db2.gz CJUDWJMQPXMHOC-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574738596 950175154 /nfs/dbraw/zinc/17/51/54/950175154.db2.gz HDPARVABHAEGQZ-JTQLQIEISA-N -1 3 385.432 0.932 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574738596 950175170 /nfs/dbraw/zinc/17/51/70/950175170.db2.gz HDPARVABHAEGQZ-JTQLQIEISA-N -1 3 385.432 0.932 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccon2)C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576191059 950182891 /nfs/dbraw/zinc/18/28/91/950182891.db2.gz DJIBFDAOKIALFC-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccon2)C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576191059 950182898 /nfs/dbraw/zinc/18/28/98/950182898.db2.gz DJIBFDAOKIALFC-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ccc2nccnc2n1 ZINC001574739210 950185887 /nfs/dbraw/zinc/18/58/87/950185887.db2.gz NAULDMDXRSKFAW-SNVBAGLBSA-N -1 3 378.400 0.479 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ccc2nccnc2n1 ZINC001574739210 950185897 /nfs/dbraw/zinc/18/58/97/950185897.db2.gz NAULDMDXRSKFAW-SNVBAGLBSA-N -1 3 378.400 0.479 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cnc2n1CCC2 ZINC001574982894 950187089 /nfs/dbraw/zinc/18/70/89/950187089.db2.gz HVAJDJDUQKXBNI-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cnc2n1CCC2 ZINC001574982894 950187099 /nfs/dbraw/zinc/18/70/99/950187099.db2.gz HVAJDJDUQKXBNI-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cnsn1)C1CC1 ZINC001574982984 950191416 /nfs/dbraw/zinc/19/14/16/950191416.db2.gz IQSMFDFTBTZHBM-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cnsn1)C1CC1 ZINC001574982984 950191435 /nfs/dbraw/zinc/19/14/35/950191435.db2.gz IQSMFDFTBTZHBM-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574494917 950192449 /nfs/dbraw/zinc/19/24/49/950192449.db2.gz QAQRAVPWWHWAMB-SWLSCSKDSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574494917 950192464 /nfs/dbraw/zinc/19/24/64/950192464.db2.gz QAQRAVPWWHWAMB-SWLSCSKDSA-N -1 3 382.428 0.740 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573844601 950201713 /nfs/dbraw/zinc/20/17/13/950201713.db2.gz KLFISAIXHRNJMR-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573844601 950201730 /nfs/dbraw/zinc/20/17/30/950201730.db2.gz KLFISAIXHRNJMR-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H](C)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574739669 950201824 /nfs/dbraw/zinc/20/18/24/950201824.db2.gz VHCLLOIUYDVONR-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574739669 950201835 /nfs/dbraw/zinc/20/18/35/950201835.db2.gz VHCLLOIUYDVONR-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1cnn(C)c1N ZINC001574155645 950202739 /nfs/dbraw/zinc/20/27/39/950202739.db2.gz PKLQXCLRDHAOAY-LBPRGKRZSA-N -1 3 384.448 0.834 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1cnn(C)c1N ZINC001574155645 950202761 /nfs/dbraw/zinc/20/27/61/950202761.db2.gz PKLQXCLRDHAOAY-LBPRGKRZSA-N -1 3 384.448 0.834 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574739604 950203556 /nfs/dbraw/zinc/20/35/56/950203556.db2.gz SWXVSGRFQVLHRI-MRVPVSSYSA-N -1 3 375.368 0.413 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574739604 950203568 /nfs/dbraw/zinc/20/35/68/950203568.db2.gz SWXVSGRFQVLHRI-MRVPVSSYSA-N -1 3 375.368 0.413 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl)NC(N)=O ZINC001574495315 950204263 /nfs/dbraw/zinc/20/42/63/950204263.db2.gz SFEYFGIWTQLENJ-SFYZADRCSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl)NC(N)=O ZINC001574495315 950204285 /nfs/dbraw/zinc/20/42/85/950204285.db2.gz SFEYFGIWTQLENJ-SFYZADRCSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576191614 950206306 /nfs/dbraw/zinc/20/63/06/950206306.db2.gz HJIVDLHIHNULKI-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576191614 950206319 /nfs/dbraw/zinc/20/63/19/950206319.db2.gz HJIVDLHIHNULKI-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1cc(Cl)c(=O)[nH]n1 ZINC001574739706 950207224 /nfs/dbraw/zinc/20/72/24/950207224.db2.gz WDBZNFBWGBTWGB-SSDOTTSWSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)c1ccncc1 ZINC001574496058 950208112 /nfs/dbraw/zinc/20/81/12/950208112.db2.gz UYTHZHZHUGRNDQ-DOMZBBRYSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)c1ccncc1 ZINC001574496058 950208125 /nfs/dbraw/zinc/20/81/25/950208125.db2.gz UYTHZHZHUGRNDQ-DOMZBBRYSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574496150 950210396 /nfs/dbraw/zinc/21/03/96/950210396.db2.gz VYICMDWYGVQULR-GHMZBOCLSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574496150 950210410 /nfs/dbraw/zinc/21/04/10/950210410.db2.gz VYICMDWYGVQULR-GHMZBOCLSA-N -1 3 387.400 0.189 20 0 GCADHM CC(C)[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574496111 950213093 /nfs/dbraw/zinc/21/30/93/950213093.db2.gz VURSKSBMHVNBQL-ZWNOBZJWSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574496111 950213118 /nfs/dbraw/zinc/21/31/18/950213118.db2.gz VURSKSBMHVNBQL-ZWNOBZJWSA-N -1 3 375.437 0.261 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN2Cc2ccc(F)c(-c3nnn[n-]3)c2)CCNC1=O ZINC001575586399 950213634 /nfs/dbraw/zinc/21/36/34/950213634.db2.gz HDVFSTPVKYMABA-KZULUSFZSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN2Cc2ccc(F)c(-c3nn[n-]n3)c2)CCNC1=O ZINC001575586399 950213648 /nfs/dbraw/zinc/21/36/48/950213648.db2.gz HDVFSTPVKYMABA-KZULUSFZSA-N -1 3 387.419 0.223 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(F)(F)C1 ZINC001575586468 950218485 /nfs/dbraw/zinc/21/84/85/950218485.db2.gz IVZYHRXGLBNAMS-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(F)(F)C1 ZINC001575586468 950218504 /nfs/dbraw/zinc/21/85/04/950218504.db2.gz IVZYHRXGLBNAMS-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)C1=COCCO1)C1CC1 ZINC001574983414 950219402 /nfs/dbraw/zinc/21/94/02/950219402.db2.gz OPXROZYIIHZNJC-QGZVFWFLSA-N -1 3 387.400 0.098 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)C1=COCCO1)C1CC1 ZINC001574983414 950219422 /nfs/dbraw/zinc/21/94/22/950219422.db2.gz OPXROZYIIHZNJC-QGZVFWFLSA-N -1 3 387.400 0.098 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001574983388 950219727 /nfs/dbraw/zinc/21/97/27/950219727.db2.gz OGSXNDRZCAZODF-BONVTDFDSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001574983388 950219745 /nfs/dbraw/zinc/21/97/45/950219745.db2.gz OGSXNDRZCAZODF-BONVTDFDSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001574740011 950220194 /nfs/dbraw/zinc/22/01/94/950220194.db2.gz AWQZXTUGDWLMMF-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001574740011 950220214 /nfs/dbraw/zinc/22/02/14/950220214.db2.gz AWQZXTUGDWLMMF-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)CCNC(=O)C1 ZINC001575586418 950220959 /nfs/dbraw/zinc/22/09/59/950220959.db2.gz HPUGKQKCZIGYOL-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)CCNC(=O)C1 ZINC001575586418 950220978 /nfs/dbraw/zinc/22/09/78/950220978.db2.gz HPUGKQKCZIGYOL-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001574497045 950221187 /nfs/dbraw/zinc/22/11/87/950221187.db2.gz YNSRHYJWQZCDGO-FZMZJTMJSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001574497045 950221202 /nfs/dbraw/zinc/22/12/02/950221202.db2.gz YNSRHYJWQZCDGO-FZMZJTMJSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001574497053 950221777 /nfs/dbraw/zinc/22/17/77/950221777.db2.gz YPXNTACDRJRUKK-ZYHUDNBSSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001574497053 950221795 /nfs/dbraw/zinc/22/17/95/950221795.db2.gz YPXNTACDRJRUKK-ZYHUDNBSSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901237 950224381 /nfs/dbraw/zinc/22/43/81/950224381.db2.gz MPFCPEBJFKDVCZ-WPRPVWTQSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCCn1ccnc1 ZINC001574740206 950226750 /nfs/dbraw/zinc/22/67/50/950226750.db2.gz BXJZUJSOZRKROD-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574497296 950226766 /nfs/dbraw/zinc/22/67/66/950226766.db2.gz ZCRBPQRVPJDMDP-AAEUAGOBSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574497296 950226778 /nfs/dbraw/zinc/22/67/78/950226778.db2.gz ZCRBPQRVPJDMDP-AAEUAGOBSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901235 950227098 /nfs/dbraw/zinc/22/70/98/950227098.db2.gz MPFCPEBJFKDVCZ-SCZZXKLOSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1ccnc1 ZINC001574497109 950228606 /nfs/dbraw/zinc/22/86/06/950228606.db2.gz YZIXTPYNWKLPTF-BXUZGUMPSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1ccnc1 ZINC001574497109 950228624 /nfs/dbraw/zinc/22/86/24/950228624.db2.gz YZIXTPYNWKLPTF-BXUZGUMPSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001574983602 950228658 /nfs/dbraw/zinc/22/86/58/950228658.db2.gz QEKUPSFEEDVVJK-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001574983602 950228676 /nfs/dbraw/zinc/22/86/76/950228676.db2.gz QEKUPSFEEDVVJK-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM CC(C)(C)CCCC(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573845437 950229927 /nfs/dbraw/zinc/22/99/27/950229927.db2.gz ZKJQNVKJJRSHBH-UHFFFAOYSA-N -1 3 391.476 0.962 20 0 GCADHM CC(C)(C)CCCC(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573845437 950229943 /nfs/dbraw/zinc/22/99/43/950229943.db2.gz ZKJQNVKJJRSHBH-UHFFFAOYSA-N -1 3 391.476 0.962 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001574983696 950232767 /nfs/dbraw/zinc/23/27/67/950232767.db2.gz RRRUIFFMLWHVQZ-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001574983696 950232782 /nfs/dbraw/zinc/23/27/82/950232782.db2.gz RRRUIFFMLWHVQZ-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2c([nH]1)CCC2 ZINC001574741349 950240418 /nfs/dbraw/zinc/24/04/18/950240418.db2.gz AEBDKGGGRNBCGG-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2c([nH]1)CCC2 ZINC001574741349 950240434 /nfs/dbraw/zinc/24/04/34/950240434.db2.gz AEBDKGGGRNBCGG-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)CCNC(=O)C1 ZINC001575587826 950240875 /nfs/dbraw/zinc/24/08/75/950240875.db2.gz OOIZYSTXGLMOOL-GTNSWQLSSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)CCNC(=O)C1 ZINC001575587826 950240892 /nfs/dbraw/zinc/24/08/92/950240892.db2.gz OOIZYSTXGLMOOL-GTNSWQLSSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901875 950241296 /nfs/dbraw/zinc/24/12/96/950241296.db2.gz RDYSLPMURMVVQI-JGVFFNPUSA-N -1 3 388.413 0.390 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574741416 950242984 /nfs/dbraw/zinc/24/29/84/950242984.db2.gz BBZKKVQJCZGNTJ-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574741416 950242998 /nfs/dbraw/zinc/24/29/98/950242998.db2.gz BBZKKVQJCZGNTJ-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575901839 950243869 /nfs/dbraw/zinc/24/38/69/950243869.db2.gz QOTGMAKZZNCGKF-JQWIXIFHSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575901839 950243885 /nfs/dbraw/zinc/24/38/85/950243885.db2.gz QOTGMAKZZNCGKF-JQWIXIFHSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cncnc1 ZINC001574741451 950244320 /nfs/dbraw/zinc/24/43/20/950244320.db2.gz BIZCWOGUURLIOZ-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cncnc1 ZINC001574741451 950244334 /nfs/dbraw/zinc/24/43/34/950244334.db2.gz BIZCWOGUURLIOZ-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCOC1 ZINC001574741440 950246607 /nfs/dbraw/zinc/24/66/07/950246607.db2.gz BILNVTMQVRQLSK-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCOC1 ZINC001574741440 950246626 /nfs/dbraw/zinc/24/66/26/950246626.db2.gz BILNVTMQVRQLSK-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573846130 950247438 /nfs/dbraw/zinc/24/74/38/950247438.db2.gz OPMHGWQTQHSHEE-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573846130 950247456 /nfs/dbraw/zinc/24/74/56/950247456.db2.gz OPMHGWQTQHSHEE-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cncn1C ZINC001574741592 950248094 /nfs/dbraw/zinc/24/80/94/950248094.db2.gz JRPMWYXABCHYRI-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cncn1C ZINC001574741592 950248115 /nfs/dbraw/zinc/24/81/15/950248115.db2.gz JRPMWYXABCHYRI-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573846370 950249768 /nfs/dbraw/zinc/24/97/68/950249768.db2.gz QJRXIYIGMIQIJT-GOSISDBHSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573846370 950249783 /nfs/dbraw/zinc/24/97/83/950249783.db2.gz QJRXIYIGMIQIJT-GOSISDBHSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575902230 950250032 /nfs/dbraw/zinc/25/00/32/950250032.db2.gz TWFUDIIMYBSOTF-DTWKUNHWSA-N -1 3 387.429 0.606 20 0 GCADHM C[C@@H](CC(=O)NCC1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574497962 950250986 /nfs/dbraw/zinc/25/09/86/950250986.db2.gz HGJAUCOXWLTAID-WHXUTIOJSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)NCC1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574497962 950251006 /nfs/dbraw/zinc/25/10/06/950251006.db2.gz HGJAUCOXWLTAID-WHXUTIOJSA-N -1 3 390.423 0.759 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573846373 950251158 /nfs/dbraw/zinc/25/11/58/950251158.db2.gz QJRXIYIGMIQIJT-SFHVURJKSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573846373 950251173 /nfs/dbraw/zinc/25/11/73/950251173.db2.gz QJRXIYIGMIQIJT-SFHVURJKSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574497958 950252486 /nfs/dbraw/zinc/25/24/86/950252486.db2.gz HDDCSPNZIDGBKM-VIFPVBQESA-N -1 3 376.396 0.513 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574497958 950252499 /nfs/dbraw/zinc/25/24/99/950252499.db2.gz HDDCSPNZIDGBKM-VIFPVBQESA-N -1 3 376.396 0.513 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575588767 950252933 /nfs/dbraw/zinc/25/29/33/950252933.db2.gz RTKDSXIACMTFMS-XIKOKIGWSA-N 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C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576192612 950255571 /nfs/dbraw/zinc/25/55/71/950255571.db2.gz OAWWGBXHPJZAJS-GWCFXTLKSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576192612 950255591 /nfs/dbraw/zinc/25/55/91/950255591.db2.gz OAWWGBXHPJZAJS-GWCFXTLKSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c[nH]nc1C1CC1 ZINC001574741827 950256697 /nfs/dbraw/zinc/25/66/97/950256697.db2.gz DRACTVPVKDODSK-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c[nH]nc1C1CC1 ZINC001574741827 950256710 /nfs/dbraw/zinc/25/67/10/950256710.db2.gz DRACTVPVKDODSK-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574498023 950257077 /nfs/dbraw/zinc/25/70/77/950257077.db2.gz INYDCUVSKGUJDA-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574498023 950257099 /nfs/dbraw/zinc/25/70/99/950257099.db2.gz INYDCUVSKGUJDA-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574741820 950259685 /nfs/dbraw/zinc/25/96/85/950259685.db2.gz DNWDJQQNNZUJFZ-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574741820 950259701 /nfs/dbraw/zinc/25/97/01/950259701.db2.gz DNWDJQQNNZUJFZ-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H](C)n1cccn1 ZINC001574741821 950260968 /nfs/dbraw/zinc/26/09/68/950260968.db2.gz DNWDJQQNNZUJFZ-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H](C)n1cccn1 ZINC001574741821 950260988 /nfs/dbraw/zinc/26/09/88/950260988.db2.gz DNWDJQQNNZUJFZ-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574498144 950267443 /nfs/dbraw/zinc/26/74/43/950267443.db2.gz KKWIODHGAWHGIQ-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574498144 950267459 /nfs/dbraw/zinc/26/74/59/950267459.db2.gz KKWIODHGAWHGIQ-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001574984416 950269151 /nfs/dbraw/zinc/26/91/51/950269151.db2.gz ZHJJLYAGZRSIRR-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001574984416 950269174 /nfs/dbraw/zinc/26/91/74/950269174.db2.gz ZHJJLYAGZRSIRR-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NCCCCCCNc2ccc(-c3nnn[n-]3)cn2)CCNC1=O ZINC001575592281 950280678 /nfs/dbraw/zinc/28/06/78/950280678.db2.gz GNXYCLRUPISPJV-GOSISDBHSA-N -1 3 386.460 0.876 20 0 GCADHM C[C@]1(C(=O)NCCCCCCNc2ccc(-c3nn[n-]n3)cn2)CCNC1=O ZINC001575592281 950280696 /nfs/dbraw/zinc/28/06/96/950280696.db2.gz GNXYCLRUPISPJV-GOSISDBHSA-N -1 3 386.460 0.876 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1cncn1 ZINC001574158517 950281209 /nfs/dbraw/zinc/28/12/09/950281209.db2.gz BZPHXGLEEQKOKN-GFCCVEGCSA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1cncn1 ZINC001574158517 950281227 /nfs/dbraw/zinc/28/12/27/950281227.db2.gz BZPHXGLEEQKOKN-GFCCVEGCSA-N -1 3 388.411 0.635 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@H]1CCCO1 ZINC001574498658 950281221 /nfs/dbraw/zinc/28/12/21/950281221.db2.gz PDNAEDHBPAEHOR-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@H]1CCCO1 ZINC001574498658 950281242 /nfs/dbraw/zinc/28/12/42/950281242.db2.gz PDNAEDHBPAEHOR-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001574987202 950281934 /nfs/dbraw/zinc/28/19/34/950281934.db2.gz AIQLJMAHFGKRSL-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001574987202 950281952 /nfs/dbraw/zinc/28/19/52/950281952.db2.gz AIQLJMAHFGKRSL-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001573850931 950283682 /nfs/dbraw/zinc/28/36/82/950283682.db2.gz PXHOLJDCSPJYJW-UHFFFAOYSA-N -1 3 384.400 0.730 20 0 GCADHM CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001573850931 950283697 /nfs/dbraw/zinc/28/36/97/950283697.db2.gz PXHOLJDCSPJYJW-UHFFFAOYSA-N -1 3 384.400 0.730 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573850943 950285764 /nfs/dbraw/zinc/28/57/64/950285764.db2.gz QONGUKNFEKRCHV-UHFFFAOYSA-N -1 3 379.446 0.242 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573850943 950285779 /nfs/dbraw/zinc/28/57/79/950285779.db2.gz QONGUKNFEKRCHV-UHFFFAOYSA-N -1 3 379.446 0.242 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2n(n1)CCC2 ZINC001574742453 950288065 /nfs/dbraw/zinc/28/80/65/950288065.db2.gz LHZHXCNYKAKTFL-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2n(n1)CCC2 ZINC001574742453 950288083 /nfs/dbraw/zinc/28/80/83/950288083.db2.gz LHZHXCNYKAKTFL-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1ccncc1 ZINC001574498847 950288790 /nfs/dbraw/zinc/28/87/90/950288790.db2.gz QGEUUWIJJFSTLM-DOMZBBRYSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1ccncc1 ZINC001574498847 950288806 /nfs/dbraw/zinc/28/88/06/950288806.db2.gz QGEUUWIJJFSTLM-DOMZBBRYSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1ccncc1 ZINC001574498848 950289018 /nfs/dbraw/zinc/28/90/18/950289018.db2.gz QGEUUWIJJFSTLM-IUODEOHRSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1ccncc1 ZINC001574498848 950289033 /nfs/dbraw/zinc/28/90/33/950289033.db2.gz QGEUUWIJJFSTLM-IUODEOHRSA-N -1 3 382.428 0.740 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001573851437 950291413 /nfs/dbraw/zinc/29/14/13/950291413.db2.gz YDUIOLPELCZPQB-UHFFFAOYSA-N -1 3 391.457 0.796 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001573851437 950291433 /nfs/dbraw/zinc/29/14/33/950291433.db2.gz YDUIOLPELCZPQB-UHFFFAOYSA-N -1 3 391.457 0.796 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574499089 950293986 /nfs/dbraw/zinc/29/39/86/950293986.db2.gz RYNZRBWPZOWMJB-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574499089 950294002 /nfs/dbraw/zinc/29/40/02/950294002.db2.gz RYNZRBWPZOWMJB-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@]1(C(=O)NCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575592803 950297124 /nfs/dbraw/zinc/29/71/24/950297124.db2.gz KQVZCUPMPJQAAW-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCOC1 ZINC001575592803 950297143 /nfs/dbraw/zinc/29/71/43/950297143.db2.gz KQVZCUPMPJQAAW-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001574987595 950299199 /nfs/dbraw/zinc/29/91/99/950299199.db2.gz DYRLLCZKNFACPQ-JTQLQIEISA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001574987595 950299217 /nfs/dbraw/zinc/29/92/17/950299217.db2.gz DYRLLCZKNFACPQ-JTQLQIEISA-N -1 3 386.420 0.258 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccnn1C ZINC001574742678 950301266 /nfs/dbraw/zinc/30/12/66/950301266.db2.gz QKMGPTSNBIXDRF-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccnn1C ZINC001574742678 950301288 /nfs/dbraw/zinc/30/12/88/950301288.db2.gz QKMGPTSNBIXDRF-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cnccn1 ZINC001574742687 950303694 /nfs/dbraw/zinc/30/36/94/950303694.db2.gz ODCHKZAGVJSHKE-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cnccn1 ZINC001574742687 950303718 /nfs/dbraw/zinc/30/37/18/950303718.db2.gz ODCHKZAGVJSHKE-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001574987830 950305453 /nfs/dbraw/zinc/30/54/53/950305453.db2.gz IBWLKCWRQDCAPF-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001574987830 950305478 /nfs/dbraw/zinc/30/54/78/950305478.db2.gz IBWLKCWRQDCAPF-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CCCOC1 ZINC001574742774 950306464 /nfs/dbraw/zinc/30/64/64/950306464.db2.gz PZAADIUBUDZJFH-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CCCOC1 ZINC001574742774 950306486 /nfs/dbraw/zinc/30/64/86/950306486.db2.gz PZAADIUBUDZJFH-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001573852668 950307757 /nfs/dbraw/zinc/30/77/57/950307757.db2.gz INHRVWOYBUWOED-LLVKDONJSA-N -1 3 395.445 0.549 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001573852668 950307783 /nfs/dbraw/zinc/30/77/83/950307783.db2.gz INHRVWOYBUWOED-LLVKDONJSA-N -1 3 395.445 0.549 20 0 GCADHM CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573852386 950309625 /nfs/dbraw/zinc/30/96/25/950309625.db2.gz GKHVOUGDGDADKF-UHFFFAOYSA-N -1 3 388.428 0.855 20 0 GCADHM CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573852386 950309647 /nfs/dbraw/zinc/30/96/47/950309647.db2.gz GKHVOUGDGDADKF-UHFFFAOYSA-N -1 3 388.428 0.855 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cnn(C)c1 ZINC001574987862 950311472 /nfs/dbraw/zinc/31/14/72/950311472.db2.gz JBZTUTPGBNZBRU-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cnn(C)c1 ZINC001574987862 950311492 /nfs/dbraw/zinc/31/14/92/950311492.db2.gz JBZTUTPGBNZBRU-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574500392 950312675 /nfs/dbraw/zinc/31/26/75/950312675.db2.gz ZZENVOKIYCNHKF-SWLSCSKDSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574500392 950312689 /nfs/dbraw/zinc/31/26/89/950312689.db2.gz ZZENVOKIYCNHKF-SWLSCSKDSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1ccsc1 ZINC001574743097 950314368 /nfs/dbraw/zinc/31/43/68/950314368.db2.gz RLTJGKHGSBHDMZ-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1ccsc1 ZINC001574743097 950314394 /nfs/dbraw/zinc/31/43/94/950314394.db2.gz RLTJGKHGSBHDMZ-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccn(C)n1 ZINC001574743151 950317029 /nfs/dbraw/zinc/31/70/29/950317029.db2.gz SKBRKJUSWDWBES-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccn(C)n1 ZINC001574743151 950317052 /nfs/dbraw/zinc/31/70/52/950317052.db2.gz SKBRKJUSWDWBES-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574501094 950320939 /nfs/dbraw/zinc/32/09/39/950320939.db2.gz BAAVWZRTUIUZSJ-ZJUUUORDSA-N -1 3 378.462 0.066 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574501094 950320959 /nfs/dbraw/zinc/32/09/59/950320959.db2.gz BAAVWZRTUIUZSJ-ZJUUUORDSA-N -1 3 378.462 0.066 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001574743393 950324370 /nfs/dbraw/zinc/32/43/70/950324370.db2.gz SHMQNZIEIGVNBW-SNVBAGLBSA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001574743393 950324400 /nfs/dbraw/zinc/32/44/00/950324400.db2.gz SHMQNZIEIGVNBW-SNVBAGLBSA-N -1 3 386.420 0.258 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cncn1C ZINC001574988214 950326376 /nfs/dbraw/zinc/32/63/76/950326376.db2.gz OQZNXLOVCGJKOC-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cncn1C ZINC001574988214 950326396 /nfs/dbraw/zinc/32/63/96/950326396.db2.gz OQZNXLOVCGJKOC-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574743460 950326797 /nfs/dbraw/zinc/32/67/97/950326797.db2.gz UASALPBWYKUGHN-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574743460 950326815 /nfs/dbraw/zinc/32/68/15/950326815.db2.gz 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GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)Nc1nccs1 ZINC001574988572 950335977 /nfs/dbraw/zinc/33/59/77/950335977.db2.gz SHICUIAMZXRKEB-SECBINFHSA-N -1 3 389.445 0.340 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(c2cc(-c3nnn[n-]3)cnn2)C[C@H]1CCO ZINC001573854306 950339878 /nfs/dbraw/zinc/33/98/78/950339878.db2.gz ZVLLEGXKZINQDH-GFCCVEGCSA-N -1 3 376.421 0.465 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(c2cc(-c3nn[n-]n3)cnn2)C[C@H]1CCO ZINC001573854306 950339892 /nfs/dbraw/zinc/33/98/92/950339892.db2.gz ZVLLEGXKZINQDH-GFCCVEGCSA-N -1 3 376.421 0.465 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1nccn1C ZINC001574988672 950341342 /nfs/dbraw/zinc/34/13/42/950341342.db2.gz UFRXFSGAEPQEFB-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1nccn1C ZINC001574988672 950341364 /nfs/dbraw/zinc/34/13/64/950341364.db2.gz UFRXFSGAEPQEFB-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001574988654 950341408 /nfs/dbraw/zinc/34/14/08/950341408.db2.gz SWHXDKFHDUKWBN-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001574988654 950341430 /nfs/dbraw/zinc/34/14/30/950341430.db2.gz SWHXDKFHDUKWBN-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC1(C(=O)NCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCOCC1 ZINC001575594942 950341564 /nfs/dbraw/zinc/34/15/64/950341564.db2.gz WGGDHCMEZDYYSZ-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCOCC1 ZINC001575594942 950341586 /nfs/dbraw/zinc/34/15/86/950341586.db2.gz WGGDHCMEZDYYSZ-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576194361 950342190 /nfs/dbraw/zinc/34/21/90/950342190.db2.gz ZJEQWPDLZVJNJY-ZWNOBZJWSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576194361 950342213 /nfs/dbraw/zinc/34/22/13/950342213.db2.gz ZJEQWPDLZVJNJY-ZWNOBZJWSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574501678 950342444 /nfs/dbraw/zinc/34/24/44/950342444.db2.gz GFVRLUZOYLSBBQ-LBPRGKRZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574501678 950342463 /nfs/dbraw/zinc/34/24/63/950342463.db2.gz GFVRLUZOYLSBBQ-LBPRGKRZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCCO2)CCOC1 ZINC001575594728 950342898 /nfs/dbraw/zinc/34/28/98/950342898.db2.gz LZWBICKZJRPRSA-KDOFPFPSSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCCO2)CCOC1 ZINC001575594728 950342918 /nfs/dbraw/zinc/34/29/18/950342918.db2.gz LZWBICKZJRPRSA-KDOFPFPSSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCOCC1 ZINC001574744137 950343253 /nfs/dbraw/zinc/34/32/53/950343253.db2.gz XHNUAHZBDSCADJ-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCOCC1 ZINC001574744137 950343271 /nfs/dbraw/zinc/34/32/71/950343271.db2.gz XHNUAHZBDSCADJ-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576194358 950343559 /nfs/dbraw/zinc/34/35/59/950343559.db2.gz ZJEQWPDLZVJNJY-GWCFXTLKSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576194358 950343579 /nfs/dbraw/zinc/34/35/79/950343579.db2.gz ZJEQWPDLZVJNJY-GWCFXTLKSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574744074 950343808 /nfs/dbraw/zinc/34/38/08/950343808.db2.gz WQUSFHULJPQRMA-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574744074 950343824 /nfs/dbraw/zinc/34/38/24/950343824.db2.gz WQUSFHULJPQRMA-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCCO2)CCOC1 ZINC001575594726 950343670 /nfs/dbraw/zinc/34/36/70/950343670.db2.gz LZWBICKZJRPRSA-KBXCAEBGSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCCO2)CCOC1 ZINC001575594726 950343687 /nfs/dbraw/zinc/34/36/87/950343687.db2.gz LZWBICKZJRPRSA-KBXCAEBGSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNC(=O)c1cocn1 ZINC001576194417 950344124 /nfs/dbraw/zinc/34/41/24/950344124.db2.gz ZUMRCYZMIPCWGU-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNC(=O)c1cocn1 ZINC001576194417 950344140 /nfs/dbraw/zinc/34/41/40/950344140.db2.gz ZUMRCYZMIPCWGU-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574160885 950346921 /nfs/dbraw/zinc/34/69/21/950346921.db2.gz QOQHIIADNFZJDQ-TUAOUCFPSA-N -1 3 390.423 0.465 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574160885 950346945 /nfs/dbraw/zinc/34/69/45/950346945.db2.gz QOQHIIADNFZJDQ-TUAOUCFPSA-N -1 3 390.423 0.465 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574988800 950348866 /nfs/dbraw/zinc/34/88/66/950348866.db2.gz VIEYUNCZEJCRGT-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574988800 950348883 /nfs/dbraw/zinc/34/88/83/950348883.db2.gz VIEYUNCZEJCRGT-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001573854916 950351126 /nfs/dbraw/zinc/35/11/26/950351126.db2.gz HPQFAGGBXSKLFA-OCCSQVGLSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001573854916 950351145 /nfs/dbraw/zinc/35/11/45/950351145.db2.gz HPQFAGGBXSKLFA-OCCSQVGLSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001573854917 950351618 /nfs/dbraw/zinc/35/16/18/950351618.db2.gz HPQFAGGBXSKLFA-TZMCWYRMSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001573854917 950351639 /nfs/dbraw/zinc/35/16/39/950351639.db2.gz HPQFAGGBXSKLFA-TZMCWYRMSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574744461 950352904 /nfs/dbraw/zinc/35/29/04/950352904.db2.gz YRDSMUWOEPIGBV-YPMHNXCESA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574744461 950352927 /nfs/dbraw/zinc/35/29/27/950352927.db2.gz YRDSMUWOEPIGBV-YPMHNXCESA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574989050 950353774 /nfs/dbraw/zinc/35/37/74/950353774.db2.gz XKMOYXZWZWAKMY-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574989050 950353792 /nfs/dbraw/zinc/35/37/92/950353792.db2.gz XKMOYXZWZWAKMY-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCOCC1 ZINC001575908209 950355185 /nfs/dbraw/zinc/35/51/85/950355185.db2.gz AYRJDJWOBQWRDX-ZFWWWQNUSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573855141 950355263 /nfs/dbraw/zinc/35/52/63/950355263.db2.gz JRPQNTYNBIHKRW-SMDDNHRTSA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CNC(=O)C1CC1 ZINC001574161329 950356054 /nfs/dbraw/zinc/35/60/54/950356054.db2.gz TWGDAVNFXLUXKH-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CNC(=O)C1CC1 ZINC001574161329 950356067 /nfs/dbraw/zinc/35/60/67/950356067.db2.gz TWGDAVNFXLUXKH-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001574989471 950366523 /nfs/dbraw/zinc/36/65/23/950366523.db2.gz ZNFHXVIGGISXIK-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001574989471 950366542 /nfs/dbraw/zinc/36/65/42/950366542.db2.gz ZNFHXVIGGISXIK-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574502295 950369960 /nfs/dbraw/zinc/36/99/60/950369960.db2.gz LMYTUHYAQDSIFT-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574502295 950369980 /nfs/dbraw/zinc/36/99/80/950369980.db2.gz LMYTUHYAQDSIFT-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cncc(F)c1 ZINC001574990381 950370282 /nfs/dbraw/zinc/37/02/82/950370282.db2.gz AZGDIHPUQWUBCU-SNVBAGLBSA-N -1 3 386.391 0.596 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cncc(F)c1 ZINC001574990381 950370304 /nfs/dbraw/zinc/37/03/04/950370304.db2.gz AZGDIHPUQWUBCU-SNVBAGLBSA-N -1 3 386.391 0.596 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574162081 950372620 /nfs/dbraw/zinc/37/26/20/950372620.db2.gz YVLVWWGJEKLUAQ-STQMWFEESA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574162081 950372640 /nfs/dbraw/zinc/37/26/40/950372640.db2.gz YVLVWWGJEKLUAQ-STQMWFEESA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nnc2n1CCCC2 ZINC001574990536 950374393 /nfs/dbraw/zinc/37/43/93/950374393.db2.gz COLZAOBSUASMRG-LLVKDONJSA-N -1 3 384.448 0.373 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nnc2n1CCCC2 ZINC001574990536 950374418 /nfs/dbraw/zinc/37/44/18/950374418.db2.gz COLZAOBSUASMRG-LLVKDONJSA-N -1 3 384.448 0.373 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574162087 950375357 /nfs/dbraw/zinc/37/53/57/950375357.db2.gz YXISLQYUHJDCAN-STQMWFEESA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574162087 950375380 /nfs/dbraw/zinc/37/53/80/950375380.db2.gz YXISLQYUHJDCAN-STQMWFEESA-N -1 3 386.460 0.731 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575596734 950381243 /nfs/dbraw/zinc/38/12/43/950381243.db2.gz HSXBERBCLUESGT-IUUKEHGRSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575596734 950381263 /nfs/dbraw/zinc/38/12/63/950381263.db2.gz HSXBERBCLUESGT-IUUKEHGRSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CCCO2)CCOC1 ZINC001575596882 950385622 /nfs/dbraw/zinc/38/56/22/950385622.db2.gz VVDZBBPVSJDLQM-FZKQIMNGSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CCCO2)CCOC1 ZINC001575596882 950385641 /nfs/dbraw/zinc/38/56/41/950385641.db2.gz VVDZBBPVSJDLQM-FZKQIMNGSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCCCO1 ZINC001574991159 950385656 /nfs/dbraw/zinc/38/56/56/950385656.db2.gz HZEMLMXALZBZCJ-AAEUAGOBSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCCCO1 ZINC001574991159 950385675 /nfs/dbraw/zinc/38/56/75/950385675.db2.gz HZEMLMXALZBZCJ-AAEUAGOBSA-N -1 3 375.433 0.779 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573856614 950388212 /nfs/dbraw/zinc/38/82/12/950388212.db2.gz GDJSYKUHNLRTFG-CHWSQXEVSA-N -1 3 392.391 0.716 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573856614 950388233 /nfs/dbraw/zinc/38/82/33/950388233.db2.gz GDJSYKUHNLRTFG-CHWSQXEVSA-N -1 3 392.391 0.716 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574502695 950389101 /nfs/dbraw/zinc/38/91/01/950389101.db2.gz QIDACVFLIGIGTG-RYUDHWBXSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574502695 950389108 /nfs/dbraw/zinc/38/91/08/950389108.db2.gz QIDACVFLIGIGTG-RYUDHWBXSA-N -1 3 387.448 0.184 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(c2ncncc2-c2nnn[n-]2)C[C@@H]1CCO ZINC001573856802 950392124 /nfs/dbraw/zinc/39/21/24/950392124.db2.gz JIDKMWPFURDOGM-NSHDSACASA-N -1 3 376.421 0.465 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573856811 950394716 /nfs/dbraw/zinc/39/47/16/950394716.db2.gz JSDBTOKIMFFULN-UONOGXRCSA-N -1 3 388.428 0.824 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573856811 950394735 /nfs/dbraw/zinc/39/47/35/950394735.db2.gz JSDBTOKIMFFULN-UONOGXRCSA-N -1 3 388.428 0.824 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2sccc2-c2nnn[n-]2)[C@@H](O)C1 ZINC001573857071 950398282 /nfs/dbraw/zinc/39/82/82/950398282.db2.gz MWYZUXPXAFMTDT-ZJUUUORDSA-N -1 3 380.430 0.638 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2sccc2-c2nn[n-]n2)[C@@H](O)C1 ZINC001573857071 950398307 /nfs/dbraw/zinc/39/83/07/950398307.db2.gz MWYZUXPXAFMTDT-ZJUUUORDSA-N -1 3 380.430 0.638 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)Oc1ccccn1 ZINC001574991340 950399162 /nfs/dbraw/zinc/39/91/62/950399162.db2.gz KMAATGOCMFFSAQ-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)Oc1ccccn1 ZINC001574991340 950399187 /nfs/dbraw/zinc/39/91/87/950399187.db2.gz KMAATGOCMFFSAQ-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COCc1ccncc1 ZINC001574991347 950400473 /nfs/dbraw/zinc/40/04/73/950400473.db2.gz KOABEUYDXPTWBU-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COCc1ccncc1 ZINC001574991347 950400487 /nfs/dbraw/zinc/40/04/87/950400487.db2.gz KOABEUYDXPTWBU-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574162746 950400368 /nfs/dbraw/zinc/40/03/68/950400368.db2.gz IHLZDWHVKQSFSQ-NSHDSACASA-N -1 3 385.432 0.957 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)CO1 ZINC001573857011 950400667 /nfs/dbraw/zinc/40/06/67/950400667.db2.gz KRFCITUDXIXJJV-GFCCVEGCSA-N -1 3 390.400 0.913 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)CO1 ZINC001573857011 950400681 /nfs/dbraw/zinc/40/06/81/950400681.db2.gz KRFCITUDXIXJJV-GFCCVEGCSA-N -1 3 390.400 0.913 20 0 GCADHM C[C@H](CC(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001574503076 950401138 /nfs/dbraw/zinc/40/11/38/950401138.db2.gz SXOAZLXLDAFCSM-RDYIKARRSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@H](CC(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001574503076 950401151 /nfs/dbraw/zinc/40/11/51/950401151.db2.gz SXOAZLXLDAFCSM-RDYIKARRSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1(c2ccccn2)CC1 ZINC001574991604 950411919 /nfs/dbraw/zinc/41/19/19/950411919.db2.gz PCQGHMYTAQFUKM-LLVKDONJSA-N -1 3 380.412 0.556 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1(c2ccccn2)CC1 ZINC001574991604 950411926 /nfs/dbraw/zinc/41/19/26/950411926.db2.gz PCQGHMYTAQFUKM-LLVKDONJSA-N -1 3 380.412 0.556 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001573857755 950412976 /nfs/dbraw/zinc/41/29/76/950412976.db2.gz ZQIRBMBYTOZARA-CHWSQXEVSA-N -1 3 390.400 0.567 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001573857755 950412991 /nfs/dbraw/zinc/41/29/91/950412991.db2.gz ZQIRBMBYTOZARA-CHWSQXEVSA-N -1 3 390.400 0.567 20 0 GCADHM C[C@@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575910129 950413830 /nfs/dbraw/zinc/41/38/30/950413830.db2.gz KAZVEVGZSBFYOC-MWLCHTKSSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575910129 950413841 /nfs/dbraw/zinc/41/38/41/950413841.db2.gz KAZVEVGZSBFYOC-MWLCHTKSSA-N -1 3 386.420 0.037 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573860058 950416274 /nfs/dbraw/zinc/41/62/74/950416274.db2.gz CBVQYWYPSGILJZ-ZDUSSCGKSA-N -1 3 388.428 0.858 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573860058 950416282 /nfs/dbraw/zinc/41/62/82/950416282.db2.gz CBVQYWYPSGILJZ-ZDUSSCGKSA-N -1 3 388.428 0.858 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574503682 950417468 /nfs/dbraw/zinc/41/74/68/950417468.db2.gz YRRTYGQLTUTKGH-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574503682 950417484 /nfs/dbraw/zinc/41/74/84/950417484.db2.gz YRRTYGQLTUTKGH-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1Cc2ccncc2C1 ZINC001574991679 950417955 /nfs/dbraw/zinc/41/79/55/950417955.db2.gz QYARPCYTQJJJNI-JQWIXIFHSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1Cc2ccncc2C1 ZINC001574991679 950417970 /nfs/dbraw/zinc/41/79/70/950417970.db2.gz QYARPCYTQJJJNI-JQWIXIFHSA-N -1 3 380.412 0.239 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001573860053 950418221 /nfs/dbraw/zinc/41/82/21/950418221.db2.gz CAEFSTNNYICEQJ-GFCCVEGCSA-N -1 3 388.428 0.985 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001573860053 950418237 /nfs/dbraw/zinc/41/82/37/950418237.db2.gz CAEFSTNNYICEQJ-GFCCVEGCSA-N -1 3 388.428 0.985 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CC1 ZINC001574503939 950418534 /nfs/dbraw/zinc/41/85/34/950418534.db2.gz YYAOXRIYUIAREJ-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575597703 950418584 /nfs/dbraw/zinc/41/85/84/950418584.db2.gz WFKWBAGCDOLQFF-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575597703 950418597 /nfs/dbraw/zinc/41/85/97/950418597.db2.gz WFKWBAGCDOLQFF-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CC1 ZINC001574503939 950418548 /nfs/dbraw/zinc/41/85/48/950418548.db2.gz YYAOXRIYUIAREJ-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575597855 950420182 /nfs/dbraw/zinc/42/01/82/950420182.db2.gz XWXIPFSQMZRALD-IUUKEHGRSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575597855 950420195 /nfs/dbraw/zinc/42/01/95/950420195.db2.gz XWXIPFSQMZRALD-IUUKEHGRSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574503993 950421694 /nfs/dbraw/zinc/42/16/94/950421694.db2.gz ZEHLLVQIECBMKZ-NWDGAFQWSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574503993 950421703 /nfs/dbraw/zinc/42/17/03/950421703.db2.gz ZEHLLVQIECBMKZ-NWDGAFQWSA-N -1 3 387.448 0.041 20 0 GCADHM CC(C)(C)OC(=O)NCCN(Cc1ccc(-c2nnn[n-]2)o1)C[C@H](O)CO ZINC001573860384 950422058 /nfs/dbraw/zinc/42/20/58/950422058.db2.gz IJKMSUHTUQRPOM-NSHDSACASA-N -1 3 382.421 0.140 20 0 GCADHM CC(C)(C)OC(=O)NCCN(Cc1ccc(-c2nn[n-]n2)o1)C[C@H](O)CO ZINC001573860384 950422075 /nfs/dbraw/zinc/42/20/75/950422075.db2.gz IJKMSUHTUQRPOM-NSHDSACASA-N -1 3 382.421 0.140 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574503997 950422506 /nfs/dbraw/zinc/42/25/06/950422506.db2.gz ZEHLLVQIECBMKZ-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574503997 950422521 /nfs/dbraw/zinc/42/25/21/950422521.db2.gz ZEHLLVQIECBMKZ-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574503960 950423184 /nfs/dbraw/zinc/42/31/84/950423184.db2.gz YYOQJRMNLWULKH-NWDGAFQWSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574503960 950423198 /nfs/dbraw/zinc/42/31/98/950423198.db2.gz YYOQJRMNLWULKH-NWDGAFQWSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCCOCC1 ZINC001574750455 950424849 /nfs/dbraw/zinc/42/48/49/950424849.db2.gz ARGWEGAUJXJVNQ-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCOCC1 ZINC001574750455 950424856 /nfs/dbraw/zinc/42/48/56/950424856.db2.gz ARGWEGAUJXJVNQ-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574991963 950425199 /nfs/dbraw/zinc/42/51/99/950425199.db2.gz UIUCQDQPGJKGOG-KOLCDFICSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574991963 950425209 /nfs/dbraw/zinc/42/52/09/950425209.db2.gz UIUCQDQPGJKGOG-KOLCDFICSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCC1CCOCC1 ZINC001574992029 950429011 /nfs/dbraw/zinc/42/90/11/950429011.db2.gz VMBWGARJBFUALR-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCC1CCOCC1 ZINC001574992029 950429025 /nfs/dbraw/zinc/42/90/25/950429025.db2.gz VMBWGARJBFUALR-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM CC1CCN(CC(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001576202541 950429601 /nfs/dbraw/zinc/42/96/01/950429601.db2.gz APVUMQUACDYNIR-AWEZNQCLSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575910731 950429567 /nfs/dbraw/zinc/42/95/67/950429567.db2.gz BHENLTWMHJFLTE-TZMCWYRMSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575910731 950429580 /nfs/dbraw/zinc/42/95/80/950429580.db2.gz BHENLTWMHJFLTE-TZMCWYRMSA-N -1 3 380.412 0.525 20 0 GCADHM CC1CCN(CC(=O)NC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001576202503 950429913 /nfs/dbraw/zinc/42/99/13/950429913.db2.gz AIDHJIZWBBVPKX-UHFFFAOYSA-N -1 3 385.476 0.474 20 0 GCADHM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574163592 950431621 /nfs/dbraw/zinc/43/16/21/950431621.db2.gz WQLWPXPGAAUXQS-SNVBAGLBSA-N -1 3 386.420 0.352 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1ccsc1 ZINC001574992197 950436612 /nfs/dbraw/zinc/43/66/12/950436612.db2.gz YSAGCESTEXKSJB-VIFPVBQESA-N -1 3 375.414 0.570 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1ccsc1 ZINC001574992197 950436627 /nfs/dbraw/zinc/43/66/27/950436627.db2.gz YSAGCESTEXKSJB-VIFPVBQESA-N -1 3 375.414 0.570 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575600171 950438413 /nfs/dbraw/zinc/43/84/13/950438413.db2.gz UAVNACQCLGUPLD-ZMZPIMSZSA-N -1 3 387.419 0.617 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575600171 950438422 /nfs/dbraw/zinc/43/84/22/950438422.db2.gz UAVNACQCLGUPLD-ZMZPIMSZSA-N -1 3 387.419 0.617 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575600086 950438607 /nfs/dbraw/zinc/43/86/07/950438607.db2.gz PXDTYKATWLMAAL-ACJLOTCBSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575600086 950438621 /nfs/dbraw/zinc/43/86/21/950438621.db2.gz PXDTYKATWLMAAL-ACJLOTCBSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001574992156 950438722 /nfs/dbraw/zinc/43/87/22/950438722.db2.gz XWXCCRIFTSYSTK-MWLCHTKSSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574750677 950439253 /nfs/dbraw/zinc/43/92/53/950439253.db2.gz FVFGQEYFBANIOX-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574750677 950439266 /nfs/dbraw/zinc/43/92/66/950439266.db2.gz FVFGQEYFBANIOX-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574506720 950441546 /nfs/dbraw/zinc/44/15/46/950441546.db2.gz BZUADBSIMRYSLQ-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574506720 950441557 /nfs/dbraw/zinc/44/15/57/950441557.db2.gz BZUADBSIMRYSLQ-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCC(=O)NC1 ZINC001575600505 950442407 /nfs/dbraw/zinc/44/24/07/950442407.db2.gz ZPFMAXLCFLVECC-PIGZYNQJSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)n1cccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574507094 950444094 /nfs/dbraw/zinc/44/40/94/950444094.db2.gz CHTGOLUSQKMGAN-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)n1cccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574507094 950444110 /nfs/dbraw/zinc/44/41/10/950444110.db2.gz CHTGOLUSQKMGAN-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)n2ncc(-c3nnn[n-]3)c2N)C1 ZINC001573861327 950445160 /nfs/dbraw/zinc/44/51/60/950445160.db2.gz YOXMEWSDDSGHLN-FVMDXXJSSA-N -1 3 392.420 0.748 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574165338 950446142 /nfs/dbraw/zinc/44/61/42/950446142.db2.gz DFFXTWALHWQYDS-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574165338 950446163 /nfs/dbraw/zinc/44/61/63/950446163.db2.gz DFFXTWALHWQYDS-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@H]2O)CCOC1 ZINC001575604931 950449095 /nfs/dbraw/zinc/44/90/95/950449095.db2.gz FWOMTZPKCGNIDS-RKVPGOIHSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C[C@H]2O)CCOC1 ZINC001575604931 950449109 /nfs/dbraw/zinc/44/91/09/950449109.db2.gz FWOMTZPKCGNIDS-RKVPGOIHSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)c1cccnc1 ZINC001574750876 950450080 /nfs/dbraw/zinc/45/00/80/950450080.db2.gz IJNBDAYPTMQLPH-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)c1cccnc1 ZINC001574750876 950450095 /nfs/dbraw/zinc/45/00/95/950450095.db2.gz IJNBDAYPTMQLPH-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCCOC1 ZINC001574751189 950452978 /nfs/dbraw/zinc/45/29/78/950452978.db2.gz LBONPEAUAAGLGA-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCCOC1 ZINC001574751189 950452989 /nfs/dbraw/zinc/45/29/89/950452989.db2.gz LBONPEAUAAGLGA-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001574165793 950453963 /nfs/dbraw/zinc/45/39/63/950453963.db2.gz IMRIDLKHLWPRKJ-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001574165793 950453974 /nfs/dbraw/zinc/45/39/74/950453974.db2.gz IMRIDLKHLWPRKJ-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574165860 950456136 /nfs/dbraw/zinc/45/61/36/950456136.db2.gz KVFJAVKFIKMBCF-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574165860 950456154 /nfs/dbraw/zinc/45/61/54/950456154.db2.gz KVFJAVKFIKMBCF-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574751394 950456577 /nfs/dbraw/zinc/45/65/77/950456577.db2.gz MYUQQSMYPZFGIO-CHWSQXEVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574751394 950456586 /nfs/dbraw/zinc/45/65/86/950456586.db2.gz MYUQQSMYPZFGIO-CHWSQXEVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1nc(Cl)cs1 ZINC001574992711 950458265 /nfs/dbraw/zinc/45/82/65/950458265.db2.gz HNGLDZMWKYEKRD-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1nc(Cl)cs1 ZINC001574992711 950458278 /nfs/dbraw/zinc/45/82/78/950458278.db2.gz HNGLDZMWKYEKRD-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H]1[C@@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575912149 950459358 /nfs/dbraw/zinc/45/93/58/950459358.db2.gz QACJSQCGSXOLQZ-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575912149 950459377 /nfs/dbraw/zinc/45/93/77/950459377.db2.gz QACJSQCGSXOLQZ-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575912180 950460108 /nfs/dbraw/zinc/46/01/08/950460108.db2.gz QFMMSNZGQOESOY-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575912180 950460121 /nfs/dbraw/zinc/46/01/21/950460121.db2.gz QFMMSNZGQOESOY-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1(C)CCOCC1 ZINC001574751647 950461321 /nfs/dbraw/zinc/46/13/21/950461321.db2.gz PTQUYKOYELDNLA-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1(C)CCOCC1 ZINC001574751647 950461325 /nfs/dbraw/zinc/46/13/25/950461325.db2.gz PTQUYKOYELDNLA-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001574166390 950462111 /nfs/dbraw/zinc/46/21/11/950462111.db2.gz QIMSDTRJGQVZJP-GFCCVEGCSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001574166390 950462126 /nfs/dbraw/zinc/46/21/26/950462126.db2.gz QIMSDTRJGQVZJP-GFCCVEGCSA-N -1 3 389.460 0.618 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574993567 950464438 /nfs/dbraw/zinc/46/44/38/950464438.db2.gz LEYKONJAQXPQET-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574993567 950464458 /nfs/dbraw/zinc/46/44/58/950464458.db2.gz LEYKONJAQXPQET-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1scnc1Cl ZINC001574993137 950464624 /nfs/dbraw/zinc/46/46/24/950464624.db2.gz JQTFWJMRCZWKDR-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1scnc1Cl ZINC001574993137 950464654 /nfs/dbraw/zinc/46/46/54/950464654.db2.gz JQTFWJMRCZWKDR-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574751688 950464772 /nfs/dbraw/zinc/46/47/72/950464772.db2.gz QNWOLISNMFUICV-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574751688 950464792 /nfs/dbraw/zinc/46/47/92/950464792.db2.gz QNWOLISNMFUICV-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575912238 950465607 /nfs/dbraw/zinc/46/56/07/950465607.db2.gz QYFKMGQVQMTTCT-RISCZKNCSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575912238 950465616 /nfs/dbraw/zinc/46/56/16/950465616.db2.gz QYFKMGQVQMTTCT-RISCZKNCSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)Cn1ccccc1=O ZINC001575912541 950465751 /nfs/dbraw/zinc/46/57/51/950465751.db2.gz GZOQZRIODHUHCA-TZMCWYRMSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)Cn1ccccc1=O ZINC001575912541 950465756 /nfs/dbraw/zinc/46/57/56/950465756.db2.gz GZOQZRIODHUHCA-TZMCWYRMSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575605529 950469522 /nfs/dbraw/zinc/46/95/22/950469522.db2.gz KQXAHRIAYZZUNY-SUFBMKPHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575605529 950469536 /nfs/dbraw/zinc/46/95/36/950469536.db2.gz KQXAHRIAYZZUNY-SUFBMKPHSA-N -1 3 387.444 0.636 20 0 GCADHM CC1CCN(CC(=O)NC[C@H]2CCCN2c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001576204680 950469876 /nfs/dbraw/zinc/46/98/76/950469876.db2.gz ACNIFPVBXFXNFZ-CQSZACIVSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574752160 950472169 /nfs/dbraw/zinc/47/21/69/950472169.db2.gz USVIJGJEORROTB-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574752160 950472183 /nfs/dbraw/zinc/47/21/83/950472183.db2.gz USVIJGJEORROTB-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001574166728 950475582 /nfs/dbraw/zinc/47/55/82/950475582.db2.gz XATNFWDQIZJQAZ-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001574166728 950475594 /nfs/dbraw/zinc/47/55/94/950475594.db2.gz XATNFWDQIZJQAZ-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001574166755 950476822 /nfs/dbraw/zinc/47/68/22/950476822.db2.gz YBRZOEIXPYAZDI-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001574166755 950476846 /nfs/dbraw/zinc/47/68/46/950476846.db2.gz YBRZOEIXPYAZDI-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001574166782 950476982 /nfs/dbraw/zinc/47/69/82/950476982.db2.gz ZELJASVCVQNOAI-GFCCVEGCSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001574166782 950476997 /nfs/dbraw/zinc/47/69/97/950476997.db2.gz ZELJASVCVQNOAI-GFCCVEGCSA-N -1 3 389.460 0.618 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1noc2c1CCCC2 ZINC001574994452 950479206 /nfs/dbraw/zinc/47/92/06/950479206.db2.gz RFOKARYWDLURNO-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1noc2c1CCCC2 ZINC001574994452 950479216 /nfs/dbraw/zinc/47/92/16/950479216.db2.gz RFOKARYWDLURNO-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574994454 950479641 /nfs/dbraw/zinc/47/96/41/950479641.db2.gz RHZXGZSTOOSRHY-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574994454 950479653 /nfs/dbraw/zinc/47/96/53/950479653.db2.gz RHZXGZSTOOSRHY-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574994477 950481140 /nfs/dbraw/zinc/48/11/40/950481140.db2.gz RVKBAHMTHMSWEY-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574994477 950481165 /nfs/dbraw/zinc/48/11/65/950481165.db2.gz RVKBAHMTHMSWEY-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM CC1CCN(CC(=O)N[C@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576204908 950481765 /nfs/dbraw/zinc/48/17/65/950481765.db2.gz SDAHPDIUPCMTCR-GOSISDBHSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2O)CCOC1 ZINC001575605896 950486903 /nfs/dbraw/zinc/48/69/03/950486903.db2.gz ZMNYHXBXXNWQQS-BFQNTYOBSA-N -1 3 378.458 0.016 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2O)CCOC1 ZINC001575605896 950486917 /nfs/dbraw/zinc/48/69/17/950486917.db2.gz ZMNYHXBXXNWQQS-BFQNTYOBSA-N -1 3 378.458 0.016 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1nccnc1-c1nn[n-]n1 ZINC001574752532 950487251 /nfs/dbraw/zinc/48/72/51/950487251.db2.gz XSWSDQVZARXQQO-JTQLQIEISA-N -1 3 386.420 0.279 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575914609 950494669 /nfs/dbraw/zinc/49/46/69/950494669.db2.gz LMWAUXBHQGMFQC-TZMCWYRMSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575914609 950494675 /nfs/dbraw/zinc/49/46/75/950494675.db2.gz LMWAUXBHQGMFQC-TZMCWYRMSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575914533 950495877 /nfs/dbraw/zinc/49/58/77/950495877.db2.gz LHJWSACALFWBFM-SMDDNHRTSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575914533 950495888 /nfs/dbraw/zinc/49/58/88/950495888.db2.gz LHJWSACALFWBFM-SMDDNHRTSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575914662 950499426 /nfs/dbraw/zinc/49/94/26/950499426.db2.gz VKSLPLVXYFJOEK-YPMHNXCESA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575914662 950499438 /nfs/dbraw/zinc/49/94/38/950499438.db2.gz VKSLPLVXYFJOEK-YPMHNXCESA-N -1 3 385.432 0.078 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573866477 950499953 /nfs/dbraw/zinc/49/99/53/950499953.db2.gz DQMLNBGWMNZOHZ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573866477 950499964 /nfs/dbraw/zinc/49/99/64/950499964.db2.gz DQMLNBGWMNZOHZ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573866468 950502518 /nfs/dbraw/zinc/50/25/18/950502518.db2.gz DMRYLSSDZGFTMJ-ZDUSSCGKSA-N -1 3 375.433 0.716 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573866468 950502532 /nfs/dbraw/zinc/50/25/32/950502532.db2.gz DMRYLSSDZGFTMJ-ZDUSSCGKSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C2CC2)no1 ZINC001574752904 950504485 /nfs/dbraw/zinc/50/44/85/950504485.db2.gz CSBNUCRSEWUYQL-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C2CC2)no1 ZINC001574752904 950504508 /nfs/dbraw/zinc/50/45/08/950504508.db2.gz CSBNUCRSEWUYQL-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573866570 950508793 /nfs/dbraw/zinc/50/87/93/950508793.db2.gz IBHPZDWJPXZFIM-TXEJJXNPSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573866570 950508809 /nfs/dbraw/zinc/50/88/09/950508809.db2.gz IBHPZDWJPXZFIM-TXEJJXNPSA-N -1 3 387.444 0.825 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575915328 950510431 /nfs/dbraw/zinc/51/04/31/950510431.db2.gz MRTILPZFEHBQQH-ZWNOBZJWSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575915328 950510443 /nfs/dbraw/zinc/51/04/43/950510443.db2.gz MRTILPZFEHBQQH-ZWNOBZJWSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574995394 950512080 /nfs/dbraw/zinc/51/20/80/950512080.db2.gz ZJEHQBUNUUMIRX-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574995394 950512109 /nfs/dbraw/zinc/51/21/09/950512109.db2.gz ZJEHQBUNUUMIRX-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574509521 950517948 /nfs/dbraw/zinc/51/79/48/950517948.db2.gz WJXWMFQOVISEOA-RWMBFGLXSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574509521 950517967 /nfs/dbraw/zinc/51/79/67/950517967.db2.gz WJXWMFQOVISEOA-RWMBFGLXSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001574509656 950519385 /nfs/dbraw/zinc/51/93/85/950519385.db2.gz UTCHIUSSRJBCCQ-NSHDSACASA-N -1 3 387.423 0.881 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001574509656 950519404 /nfs/dbraw/zinc/51/94/04/950519404.db2.gz UTCHIUSSRJBCCQ-NSHDSACASA-N -1 3 387.423 0.881 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573866973 950519657 /nfs/dbraw/zinc/51/96/57/950519657.db2.gz OVOMJOORBPMULD-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573866973 950519677 /nfs/dbraw/zinc/51/96/77/950519677.db2.gz OVOMJOORBPMULD-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573866963 950520918 /nfs/dbraw/zinc/52/09/18/950520918.db2.gz OOABOVDTJJFAHL-UHFFFAOYSA-N -1 3 375.433 0.684 20 0 GCADHM C[C@@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)n1ccnc1 ZINC001574509648 950520898 /nfs/dbraw/zinc/52/08/98/950520898.db2.gz UROOANQEJLQOGA-LBPRGKRZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)n1ccnc1 ZINC001574509648 950520913 /nfs/dbraw/zinc/52/09/13/950520913.db2.gz UROOANQEJLQOGA-LBPRGKRZSA-N -1 3 382.432 0.590 20 0 GCADHM CC(C)(C)OCC(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573866963 950520931 /nfs/dbraw/zinc/52/09/31/950520931.db2.gz OOABOVDTJJFAHL-UHFFFAOYSA-N -1 3 375.433 0.684 20 0 GCADHM C[C@H](CC(=O)NCCN(Cc1ccc(-c2nnn[n-]2)s1)C1CC1)NC(N)=O ZINC001574509603 950522638 /nfs/dbraw/zinc/52/26/38/950522638.db2.gz SRRVLBPEBCQDLO-SNVBAGLBSA-N -1 3 392.489 0.456 20 0 GCADHM C[C@H](CNC(=O)C[C@@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574509716 950526838 /nfs/dbraw/zinc/52/68/38/950526838.db2.gz WGJIXMQKEYVZPT-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)C[C@@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574509716 950526857 /nfs/dbraw/zinc/52/68/57/950526857.db2.gz WGJIXMQKEYVZPT-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM CC1(C)C(=O)NCCN1C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001575614400 950527386 /nfs/dbraw/zinc/52/73/86/950527386.db2.gz ASUHQOVDZKYESH-UHFFFAOYSA-N -1 3 379.218 0.980 20 0 GCADHM CC1(C)C(=O)NCCN1C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001575614400 950527400 /nfs/dbraw/zinc/52/74/00/950527400.db2.gz ASUHQOVDZKYESH-UHFFFAOYSA-N -1 3 379.218 0.980 20 0 GCADHM C[C@H](CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574509790 950529319 /nfs/dbraw/zinc/52/93/19/950529319.db2.gz XJPWUCVYZWUKIY-GFCCVEGCSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@H](CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574509790 950529337 /nfs/dbraw/zinc/52/93/37/950529337.db2.gz XJPWUCVYZWUKIY-GFCCVEGCSA-N -1 3 391.476 0.818 20 0 GCADHM CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)CCOCC1 ZINC001575614402 950529963 /nfs/dbraw/zinc/52/99/63/950529963.db2.gz ATYLVKPQXQGJLT-IMRBUKKESA-N -1 3 385.428 0.198 20 0 GCADHM CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)CCOCC1 ZINC001575614402 950529990 /nfs/dbraw/zinc/52/99/90/950529990.db2.gz ATYLVKPQXQGJLT-IMRBUKKESA-N -1 3 385.428 0.198 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573867416 950532911 /nfs/dbraw/zinc/53/29/11/950532911.db2.gz ZBNQYIJXNLBPJN-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573867416 950532926 /nfs/dbraw/zinc/53/29/26/950532926.db2.gz ZBNQYIJXNLBPJN-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1nccs1 ZINC001574753632 950536571 /nfs/dbraw/zinc/53/65/71/950536571.db2.gz FXIVBEVULWCYMR-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1nccs1 ZINC001574753632 950536594 /nfs/dbraw/zinc/53/65/94/950536594.db2.gz FXIVBEVULWCYMR-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H]1[C@@H](NCc2ncnn2CCF)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916445 950539774 /nfs/dbraw/zinc/53/97/74/950539774.db2.gz ZUZGKOMLYSDUKH-PWSUYJOCSA-N -1 3 388.411 0.149 20 0 GCADHM C[C@@H]1[C@@H](NCc2ncnn2CCF)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916445 950539792 /nfs/dbraw/zinc/53/97/92/950539792.db2.gz ZUZGKOMLYSDUKH-PWSUYJOCSA-N -1 3 388.411 0.149 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ncccn1 ZINC001574753730 950541752 /nfs/dbraw/zinc/54/17/52/950541752.db2.gz HHVAEJWMDINLGY-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ncccn1 ZINC001574753730 950541772 /nfs/dbraw/zinc/54/17/72/950541772.db2.gz HHVAEJWMDINLGY-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574753790 950541913 /nfs/dbraw/zinc/54/19/13/950541913.db2.gz SGZTUAQGBPEZKB-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574753790 950541930 /nfs/dbraw/zinc/54/19/30/950541930.db2.gz SGZTUAQGBPEZKB-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575916745 950542557 /nfs/dbraw/zinc/54/25/57/950542557.db2.gz RHWHDSQKBWODRB-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCS(C)(=O)=O ZINC001575916745 950542567 /nfs/dbraw/zinc/54/25/67/950542567.db2.gz RHWHDSQKBWODRB-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001573868473 950542662 /nfs/dbraw/zinc/54/26/62/950542662.db2.gz CDOVHNSYGDEEMU-UHFFFAOYSA-N -1 3 375.433 0.779 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001573868473 950542677 /nfs/dbraw/zinc/54/26/77/950542677.db2.gz CDOVHNSYGDEEMU-UHFFFAOYSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccco1 ZINC001574510853 950545757 /nfs/dbraw/zinc/54/57/57/950545757.db2.gz BKNCEVMCMIDCJK-YUTCNCBUSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccco1 ZINC001574510853 950545771 /nfs/dbraw/zinc/54/57/71/950545771.db2.gz BKNCEVMCMIDCJK-YUTCNCBUSA-N -1 3 383.412 0.714 20 0 GCADHM CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)CCOCC1 ZINC001575614701 950547028 /nfs/dbraw/zinc/54/70/28/950547028.db2.gz NAGRXWYWYHFWCD-YABSGUDNSA-N -1 3 385.428 0.198 20 0 GCADHM CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)CCOCC1 ZINC001575614701 950547046 /nfs/dbraw/zinc/54/70/46/950547046.db2.gz NAGRXWYWYHFWCD-YABSGUDNSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)C1CC1 ZINC001574510907 950549651 /nfs/dbraw/zinc/54/96/51/950549651.db2.gz DIXVMDJEBJNMBE-OWYVNGRQSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)C1CC1 ZINC001574510907 950549675 /nfs/dbraw/zinc/54/96/75/950549675.db2.gz DIXVMDJEBJNMBE-OWYVNGRQSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2n[nH]nc2n1 ZINC001575916778 950550039 /nfs/dbraw/zinc/55/00/39/950550039.db2.gz RXDQYACGHGQNLR-KOLCDFICSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2n[nH]nc2n1 ZINC001575916778 950550058 /nfs/dbraw/zinc/55/00/58/950550058.db2.gz RXDQYACGHGQNLR-KOLCDFICSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575916877 950556669 /nfs/dbraw/zinc/55/66/69/950556669.db2.gz SVJQPWYQOFCFHA-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575916877 950556674 /nfs/dbraw/zinc/55/66/74/950556674.db2.gz SVJQPWYQOFCFHA-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574998835 950557399 /nfs/dbraw/zinc/55/73/99/950557399.db2.gz BELIUMCEQALKSE-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574998835 950557424 /nfs/dbraw/zinc/55/74/24/950557424.db2.gz BELIUMCEQALKSE-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917182 950558707 /nfs/dbraw/zinc/55/87/07/950558707.db2.gz VADISOUEQRYVRA-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917182 950558721 /nfs/dbraw/zinc/55/87/21/950558721.db2.gz VADISOUEQRYVRA-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1ccco1 ZINC001574511380 950559971 /nfs/dbraw/zinc/55/99/71/950559971.db2.gz JFPFIUCWZJMFSV-YUTCNCBUSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1ccco1 ZINC001574511380 950559993 /nfs/dbraw/zinc/55/99/93/950559993.db2.gz JFPFIUCWZJMFSV-YUTCNCBUSA-N -1 3 383.412 0.714 20 0 GCADHM CC1CCN(CC(=O)NC[C@@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CC1 ZINC001576206152 950568341 /nfs/dbraw/zinc/56/83/41/950568341.db2.gz VJUAJRLHTNHXAH-CQSZACIVSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)n1cccc1 ZINC001574511780 950576668 /nfs/dbraw/zinc/57/66/68/950576668.db2.gz UBPZDSUVNLXLBT-NWANDNLSSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)n1cccc1 ZINC001574511780 950576689 /nfs/dbraw/zinc/57/66/89/950576689.db2.gz UBPZDSUVNLXLBT-NWANDNLSSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1coc(C2CC2)n1 ZINC001574754673 950577008 /nfs/dbraw/zinc/57/70/08/950577008.db2.gz NZLYJKZGUOPTDS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1coc(C2CC2)n1 ZINC001574754673 950577020 /nfs/dbraw/zinc/57/70/20/950577020.db2.gz NZLYJKZGUOPTDS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574999294 950580956 /nfs/dbraw/zinc/58/09/56/950580956.db2.gz IVEGLIUDFPTAKX-ZETCQYMHSA-N -1 3 389.807 0.573 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574999294 950580971 /nfs/dbraw/zinc/58/09/71/950580971.db2.gz IVEGLIUDFPTAKX-ZETCQYMHSA-N -1 3 389.807 0.573 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574172806 950583903 /nfs/dbraw/zinc/58/39/03/950583903.db2.gz BPJWZLKCWGJGNA-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574172806 950583915 /nfs/dbraw/zinc/58/39/15/950583915.db2.gz BPJWZLKCWGJGNA-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(Cl)no1 ZINC001574754812 950586895 /nfs/dbraw/zinc/58/68/95/950586895.db2.gz QNLMIEWDOLZCRZ-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(Cl)no1 ZINC001574754812 950586904 /nfs/dbraw/zinc/58/69/04/950586904.db2.gz QNLMIEWDOLZCRZ-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)n1ccnc1 ZINC001574512720 950587188 /nfs/dbraw/zinc/58/71/88/950587188.db2.gz AUGOVTYSXNEENX-XQQFMLRXSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917595 950587311 /nfs/dbraw/zinc/58/73/11/950587311.db2.gz ZSPLMAGHRDAPQH-PWSUYJOCSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917595 950587330 /nfs/dbraw/zinc/58/73/30/950587330.db2.gz ZSPLMAGHRDAPQH-PWSUYJOCSA-N -1 3 381.400 0.071 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574172918 950588426 /nfs/dbraw/zinc/58/84/26/950588426.db2.gz COJISCZMCYOPOC-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574172918 950588444 /nfs/dbraw/zinc/58/84/44/950588444.db2.gz COJISCZMCYOPOC-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575000002 950588915 /nfs/dbraw/zinc/58/89/15/950588915.db2.gz NYUGOFKVSULTOP-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575000002 950588930 /nfs/dbraw/zinc/58/89/30/950588930.db2.gz NYUGOFKVSULTOP-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)Nc1cc(Cl)c(=O)[nH]n1 ZINC001574755298 950591616 /nfs/dbraw/zinc/59/16/16/950591616.db2.gz UBAHBHFVDUXRLJ-SSDOTTSWSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)Nc1cc(Cl)c(=O)[nH]n1 ZINC001574755298 950591628 /nfs/dbraw/zinc/59/16/28/950591628.db2.gz UBAHBHFVDUXRLJ-SSDOTTSWSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575000035 950592254 /nfs/dbraw/zinc/59/22/54/950592254.db2.gz OJPNAXOSQAXJMW-VIFPVBQESA-N -1 3 386.441 0.900 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575000035 950592268 /nfs/dbraw/zinc/59/22/68/950592268.db2.gz OJPNAXOSQAXJMW-VIFPVBQESA-N -1 3 386.441 0.900 20 0 GCADHM CC(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574173662 950596476 /nfs/dbraw/zinc/59/64/76/950596476.db2.gz KSNGIPLOUMJPCL-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574173662 950596495 /nfs/dbraw/zinc/59/64/95/950596495.db2.gz KSNGIPLOUMJPCL-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ocnc1C1CC1 ZINC001574755332 950597071 /nfs/dbraw/zinc/59/70/71/950597071.db2.gz USYDPXPGPKEYJX-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ocnc1C1CC1 ZINC001574755332 950597096 /nfs/dbraw/zinc/59/70/96/950597096.db2.gz USYDPXPGPKEYJX-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CCC(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574173703 950601907 /nfs/dbraw/zinc/60/19/07/950601907.db2.gz LSBXDHXJTLMSDY-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574173703 950601925 /nfs/dbraw/zinc/60/19/25/950601925.db2.gz LSBXDHXJTLMSDY-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575919104 950604179 /nfs/dbraw/zinc/60/41/79/950604179.db2.gz GIFWDOHMXZKCQN-MWLCHTKSSA-N -1 3 384.375 0.804 20 0 GCADHM C[C@@H]1[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575919104 950604187 /nfs/dbraw/zinc/60/41/87/950604187.db2.gz GIFWDOHMXZKCQN-MWLCHTKSSA-N -1 3 384.375 0.804 20 0 GCADHM CC1(C)C(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1(C)C ZINC001575618445 950609079 /nfs/dbraw/zinc/60/90/79/950609079.db2.gz ITGMLTSQWWOTQA-SECBINFHSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1(C)C ZINC001575618445 950609094 /nfs/dbraw/zinc/60/90/94/950609094.db2.gz ITGMLTSQWWOTQA-SECBINFHSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1(C)C ZINC001575618507 950612971 /nfs/dbraw/zinc/61/29/71/950612971.db2.gz JKSXOXVSLYTPTB-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1(C)C ZINC001575618507 950612986 /nfs/dbraw/zinc/61/29/86/950612986.db2.gz JKSXOXVSLYTPTB-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1Cc1ccccc1-c1nnn[n-]1 ZINC001573871112 950615877 /nfs/dbraw/zinc/61/58/77/950615877.db2.gz NFMUGANQRSLXFL-HNNXBMFYSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001573871112 950615910 /nfs/dbraw/zinc/61/59/10/950615910.db2.gz NFMUGANQRSLXFL-HNNXBMFYSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574174005 950618762 /nfs/dbraw/zinc/61/87/62/950618762.db2.gz CYSNICMVIPDHHX-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574174005 950618778 /nfs/dbraw/zinc/61/87/78/950618778.db2.gz CYSNICMVIPDHHX-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)C1(C)C ZINC001575619726 950621017 /nfs/dbraw/zinc/62/10/17/950621017.db2.gz PCNAWBZTWCDHPC-JTQLQIEISA-N -1 3 377.424 0.972 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)C1(C)C ZINC001575619726 950621035 /nfs/dbraw/zinc/62/10/35/950621035.db2.gz PCNAWBZTWCDHPC-JTQLQIEISA-N -1 3 377.424 0.972 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575001165 950622240 /nfs/dbraw/zinc/62/22/40/950622240.db2.gz UPYZKENTHSIGCN-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575001165 950622260 /nfs/dbraw/zinc/62/22/60/950622260.db2.gz UPYZKENTHSIGCN-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573871628 950624865 /nfs/dbraw/zinc/62/48/65/950624865.db2.gz UHXPZQHUNYXUPJ-UHFFFAOYSA-N -1 3 392.435 0.484 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573871628 950624880 /nfs/dbraw/zinc/62/48/80/950624880.db2.gz UHXPZQHUNYXUPJ-UHFFFAOYSA-N -1 3 392.435 0.484 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)[C@H](C(N)=O)C1 ZINC001576213517 950631452 /nfs/dbraw/zinc/63/14/52/950631452.db2.gz BNBNXOYCQIPLCJ-SCZZXKLOSA-N -1 3 384.849 0.795 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)[C@H](C(N)=O)C1 ZINC001576213517 950631464 /nfs/dbraw/zinc/63/14/64/950631464.db2.gz BNBNXOYCQIPLCJ-SCZZXKLOSA-N -1 3 384.849 0.795 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573872897 950633049 /nfs/dbraw/zinc/63/30/49/950633049.db2.gz ALQDGNXQKJDEDT-HONMWMINSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573872897 950633062 /nfs/dbraw/zinc/63/30/62/950633062.db2.gz ALQDGNXQKJDEDT-HONMWMINSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573873019 950634356 /nfs/dbraw/zinc/63/43/56/950634356.db2.gz CSVWOVFGGOYEKH-CABCVRRESA-N -1 3 392.435 0.482 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573873019 950634368 /nfs/dbraw/zinc/63/43/68/950634368.db2.gz CSVWOVFGGOYEKH-CABCVRRESA-N -1 3 392.435 0.482 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc2ncnn21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574759310 950636073 /nfs/dbraw/zinc/63/60/73/950636073.db2.gz MVQOMKXAAUHUFL-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc2ncnn21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574759310 950636088 /nfs/dbraw/zinc/63/60/88/950636088.db2.gz MVQOMKXAAUHUFL-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)ccc1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574759420 950638569 /nfs/dbraw/zinc/63/85/69/950638569.db2.gz DAVVRDKULMNCPR-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)ccc1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574759420 950638577 /nfs/dbraw/zinc/63/85/77/950638577.db2.gz DAVVRDKULMNCPR-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574174562 950639461 /nfs/dbraw/zinc/63/94/61/950639461.db2.gz SVZDLKYNLIFXHQ-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574174562 950639475 /nfs/dbraw/zinc/63/94/75/950639475.db2.gz SVZDLKYNLIFXHQ-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575001689 950641411 /nfs/dbraw/zinc/64/14/11/950641411.db2.gz XUYUFOBXVDTCQT-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575001689 950641427 /nfs/dbraw/zinc/64/14/27/950641427.db2.gz XUYUFOBXVDTCQT-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001574174716 950643601 /nfs/dbraw/zinc/64/36/01/950643601.db2.gz JPHXNIMQERTTSJ-TZMCWYRMSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001574174716 950643614 /nfs/dbraw/zinc/64/36/14/950643614.db2.gz JPHXNIMQERTTSJ-TZMCWYRMSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574517699 950645709 /nfs/dbraw/zinc/64/57/09/950645709.db2.gz LMEWFQKYIRFSDW-NHULGOKLSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574517699 950645724 /nfs/dbraw/zinc/64/57/24/950645724.db2.gz LMEWFQKYIRFSDW-NHULGOKLSA-N -1 3 387.444 0.777 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001575623317 950647211 /nfs/dbraw/zinc/64/72/11/950647211.db2.gz JQZJZHCWXZTMFL-KGLIPLIRSA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001575623317 950647219 /nfs/dbraw/zinc/64/72/19/950647219.db2.gz JQZJZHCWXZTMFL-KGLIPLIRSA-N -1 3 385.472 1.000 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574517863 950650378 /nfs/dbraw/zinc/65/03/78/950650378.db2.gz MPMJREGENOCPFS-LPEHRKFASA-N -1 3 376.396 0.512 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574517863 950650395 /nfs/dbraw/zinc/65/03/95/950650395.db2.gz MPMJREGENOCPFS-LPEHRKFASA-N -1 3 376.396 0.512 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574517862 950650877 /nfs/dbraw/zinc/65/08/77/950650877.db2.gz MPMJREGENOCPFS-BBBLOLIVSA-N -1 3 376.396 0.512 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574517862 950650888 /nfs/dbraw/zinc/65/08/88/950650888.db2.gz MPMJREGENOCPFS-BBBLOLIVSA-N -1 3 376.396 0.512 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575623525 950653085 /nfs/dbraw/zinc/65/30/85/950653085.db2.gz BSMGGSWLKYVXFZ-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575623525 950653099 /nfs/dbraw/zinc/65/30/99/950653099.db2.gz BSMGGSWLKYVXFZ-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001575924361 950672983 /nfs/dbraw/zinc/67/29/83/950672983.db2.gz FFODHTJVMMGXSU-MWLCHTKSSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575003095 950673353 /nfs/dbraw/zinc/67/33/53/950673353.db2.gz XYSICHKCEOEYQT-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575003095 950673363 /nfs/dbraw/zinc/67/33/63/950673363.db2.gz XYSICHKCEOEYQT-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574176437 950674216 /nfs/dbraw/zinc/67/42/16/950674216.db2.gz VYEZDSURMLVMHW-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574176437 950674227 /nfs/dbraw/zinc/67/42/27/950674227.db2.gz VYEZDSURMLVMHW-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576214827 950683996 /nfs/dbraw/zinc/68/39/96/950683996.db2.gz CMLZJNTUYUJJQK-LKFCYVNXSA-N -1 3 383.416 0.130 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574178868 950692217 /nfs/dbraw/zinc/69/22/17/950692217.db2.gz CCXUGPRJXCEMKD-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574178868 950692229 /nfs/dbraw/zinc/69/22/29/950692229.db2.gz CCXUGPRJXCEMKD-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)C1 ZINC001575625737 950695850 /nfs/dbraw/zinc/69/58/50/950695850.db2.gz VMKNQVMYWKCYPN-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)C1 ZINC001575625737 950695866 /nfs/dbraw/zinc/69/58/66/950695866.db2.gz VMKNQVMYWKCYPN-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574179078 950696323 /nfs/dbraw/zinc/69/63/23/950696323.db2.gz AHTBWQIKMKNDHP-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574179078 950696337 /nfs/dbraw/zinc/69/63/37/950696337.db2.gz AHTBWQIKMKNDHP-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576215359 950696579 /nfs/dbraw/zinc/69/65/79/950696579.db2.gz FREIABWJYVFZSU-BMIGLBTASA-N -1 3 382.432 0.616 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001575005724 950697584 /nfs/dbraw/zinc/69/75/84/950697584.db2.gz LTKNLNXKCCSCIJ-KPZWWZAWSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001575005724 950697598 /nfs/dbraw/zinc/69/75/98/950697598.db2.gz LTKNLNXKCCSCIJ-KPZWWZAWSA-N -1 3 387.444 0.779 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574761643 950700586 /nfs/dbraw/zinc/70/05/86/950700586.db2.gz UNRKDBJXTKJPBA-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574761643 950700605 /nfs/dbraw/zinc/70/06/05/950700605.db2.gz UNRKDBJXTKJPBA-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ccccn1)C1CC1 ZINC001575005812 950702913 /nfs/dbraw/zinc/70/29/13/950702913.db2.gz NUPWHSKYWKQKKP-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ccccn1)C1CC1 ZINC001575005812 950702918 /nfs/dbraw/zinc/70/29/18/950702918.db2.gz NUPWHSKYWKQKKP-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574179534 950704056 /nfs/dbraw/zinc/70/40/56/950704056.db2.gz DGQGXUKITSFEBT-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574179534 950704078 /nfs/dbraw/zinc/70/40/78/950704078.db2.gz DGQGXUKITSFEBT-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575005861 950707233 /nfs/dbraw/zinc/70/72/33/950707233.db2.gz OVIAQGNVULFBPS-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575005861 950707242 /nfs/dbraw/zinc/70/72/42/950707242.db2.gz OVIAQGNVULFBPS-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575005850 950707391 /nfs/dbraw/zinc/70/73/91/950707391.db2.gz OPZYJAWSRUIFLX-JTQLQIEISA-N -1 3 386.391 0.849 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575005850 950707404 /nfs/dbraw/zinc/70/74/04/950707404.db2.gz OPZYJAWSRUIFLX-JTQLQIEISA-N -1 3 386.391 0.849 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575006074 950709638 /nfs/dbraw/zinc/70/96/38/950709638.db2.gz RNBPOBAJPLHQFF-NBHSMZAVSA-N -1 3 385.428 0.246 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575006074 950709655 /nfs/dbraw/zinc/70/96/55/950709655.db2.gz RNBPOBAJPLHQFF-NBHSMZAVSA-N -1 3 385.428 0.246 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574179601 950710486 /nfs/dbraw/zinc/71/04/86/950710486.db2.gz GNIXTHWWYLHRDX-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574179601 950710505 /nfs/dbraw/zinc/71/05/05/950710505.db2.gz GNIXTHWWYLHRDX-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)C(=O)N1C[C@H](C)O[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576215877 950713351 /nfs/dbraw/zinc/71/33/51/950713351.db2.gz CAEONNNYBCMQKH-SGTLLEGYSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)C(=O)N1C[C@H](C)O[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576215877 950713376 /nfs/dbraw/zinc/71/33/76/950713376.db2.gz CAEONNNYBCMQKH-SGTLLEGYSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)COCC1CC1)C1CC1 ZINC001575006220 950716407 /nfs/dbraw/zinc/71/64/07/950716407.db2.gz SULKGDQLPXNIFM-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)COCC1CC1)C1CC1 ZINC001575006220 950716416 /nfs/dbraw/zinc/71/64/16/950716416.db2.gz SULKGDQLPXNIFM-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573878651 950719522 /nfs/dbraw/zinc/71/95/22/950719522.db2.gz YJWXHJPQVYGZPM-QJPTWQEYSA-N -1 3 377.424 0.972 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573878651 950719539 /nfs/dbraw/zinc/71/95/39/950719539.db2.gz YJWXHJPQVYGZPM-QJPTWQEYSA-N -1 3 377.424 0.972 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cccnc1)C1CC1 ZINC001575006525 950720228 /nfs/dbraw/zinc/72/02/28/950720228.db2.gz VIZHAFOJSGFBLY-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cccnc1)C1CC1 ZINC001575006525 950720242 /nfs/dbraw/zinc/72/02/42/950720242.db2.gz VIZHAFOJSGFBLY-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575006536 950722213 /nfs/dbraw/zinc/72/22/13/950722213.db2.gz VLGRTJFITDXPTE-VOJFVSQTSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575006536 950722227 /nfs/dbraw/zinc/72/22/27/950722227.db2.gz VLGRTJFITDXPTE-VOJFVSQTSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574763662 950726839 /nfs/dbraw/zinc/72/68/39/950726839.db2.gz HPMOAUHKSLIHON-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574763662 950726856 /nfs/dbraw/zinc/72/68/56/950726856.db2.gz HPMOAUHKSLIHON-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM CC(C)(C)c1cc(CNC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001573879560 950726997 /nfs/dbraw/zinc/72/69/97/950726997.db2.gz FJFYKOBSYDFVSJ-GFCCVEGCSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cc(CNC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001573879560 950727009 /nfs/dbraw/zinc/72/70/09/950727009.db2.gz FJFYKOBSYDFVSJ-GFCCVEGCSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cc(C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)[nH]n1 ZINC001573879584 950729253 /nfs/dbraw/zinc/72/92/53/950729253.db2.gz HFZRVSQGCQCTCQ-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1cc(C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]n1 ZINC001573879584 950729265 /nfs/dbraw/zinc/72/92/65/950729265.db2.gz HFZRVSQGCQCTCQ-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2cccnc12)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574763836 950735158 /nfs/dbraw/zinc/73/51/58/950735158.db2.gz LVFFVQMXPWXPQH-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2cccnc12)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574763836 950735170 /nfs/dbraw/zinc/73/51/70/950735170.db2.gz LVFFVQMXPWXPQH-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575008166 950739736 /nfs/dbraw/zinc/73/97/36/950739736.db2.gz CDBYQHMONIRDST-RKRFWMIESA-N -1 3 385.428 0.100 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575008166 950739756 /nfs/dbraw/zinc/73/97/56/950739756.db2.gz CDBYQHMONIRDST-RKRFWMIESA-N -1 3 385.428 0.100 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001573880390 950744797 /nfs/dbraw/zinc/74/47/97/950744797.db2.gz YLWIFUPLTRXGBN-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001573880390 950744813 /nfs/dbraw/zinc/74/48/13/950744813.db2.gz YLWIFUPLTRXGBN-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC1(C)CC(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)C1 ZINC001575629609 950745401 /nfs/dbraw/zinc/74/54/01/950745401.db2.gz QYZJLKKSGBJWRZ-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)C1 ZINC001575629609 950745410 /nfs/dbraw/zinc/74/54/10/950745410.db2.gz QYZJLKKSGBJWRZ-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C)c1cc(C(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001573880271 950745614 /nfs/dbraw/zinc/74/56/14/950745614.db2.gz XIMXMMYZAANXTQ-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1cc(C(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001573880271 950745623 /nfs/dbraw/zinc/74/56/23/950745623.db2.gz XIMXMMYZAANXTQ-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C1(F)CCOCC1 ZINC001575008478 950745766 /nfs/dbraw/zinc/74/57/66/950745766.db2.gz FODOFKCGZVXORE-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C1(F)CCOCC1 ZINC001575008478 950745776 /nfs/dbraw/zinc/74/57/76/950745776.db2.gz FODOFKCGZVXORE-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1CCCOCC1 ZINC001575008466 950749137 /nfs/dbraw/zinc/74/91/37/950749137.db2.gz FJIUVNDJISFLHY-VXGBXAGGSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1CCCOCC1 ZINC001575008466 950749153 /nfs/dbraw/zinc/74/91/53/950749153.db2.gz FJIUVNDJISFLHY-VXGBXAGGSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001575008647 950750991 /nfs/dbraw/zinc/75/09/91/950750991.db2.gz GQJQWWSWFUQLOJ-QWRGUYRKSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001575008647 950751000 /nfs/dbraw/zinc/75/10/00/950751000.db2.gz GQJQWWSWFUQLOJ-QWRGUYRKSA-N -1 3 383.416 0.271 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001574182007 950751343 /nfs/dbraw/zinc/75/13/43/950751343.db2.gz RQOYUQYAMSPWHW-UHFFFAOYSA-N -1 3 377.474 0.948 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001574182007 950751361 /nfs/dbraw/zinc/75/13/61/950751361.db2.gz RQOYUQYAMSPWHW-UHFFFAOYSA-N -1 3 377.474 0.948 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574764463 950753246 /nfs/dbraw/zinc/75/32/46/950753246.db2.gz UAHWZOGTSUOKFO-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574764463 950753251 /nfs/dbraw/zinc/75/32/51/950753251.db2.gz UAHWZOGTSUOKFO-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574764670 950756306 /nfs/dbraw/zinc/75/63/06/950756306.db2.gz VYBCHTBRYPKCNZ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575008791 950756520 /nfs/dbraw/zinc/75/65/20/950756520.db2.gz IHEITEAVXIWAMZ-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001575008791 950756540 /nfs/dbraw/zinc/75/65/40/950756540.db2.gz IHEITEAVXIWAMZ-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574764670 950756326 /nfs/dbraw/zinc/75/63/26/950756326.db2.gz VYBCHTBRYPKCNZ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cscn1 ZINC001574520911 950756732 /nfs/dbraw/zinc/75/67/32/950756732.db2.gz BBGYXCASGCDEIR-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cscn1 ZINC001574520911 950756747 /nfs/dbraw/zinc/75/67/47/950756747.db2.gz BBGYXCASGCDEIR-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@@H]1CCCOC1 ZINC001575008827 950758344 /nfs/dbraw/zinc/75/83/44/950758344.db2.gz ITZQWIOCDVEODC-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@@H]1CCCOC1 ZINC001575008827 950758356 /nfs/dbraw/zinc/75/83/56/950758356.db2.gz ITZQWIOCDVEODC-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574764671 950758838 /nfs/dbraw/zinc/75/88/38/950758838.db2.gz VYBCHTBRYPKCNZ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574764671 950758855 /nfs/dbraw/zinc/75/88/55/950758855.db2.gz VYBCHTBRYPKCNZ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cnn2c1CCC2 ZINC001575008851 950761818 /nfs/dbraw/zinc/76/18/18/950761818.db2.gz JCXIHVAKDRDEIT-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cnn2c1CCC2 ZINC001575008851 950761833 /nfs/dbraw/zinc/76/18/33/950761833.db2.gz JCXIHVAKDRDEIT-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@H]2COCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575631095 950768788 /nfs/dbraw/zinc/76/87/88/950768788.db2.gz JTQAUBIJEZNCMG-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@H]2COCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575631095 950768793 /nfs/dbraw/zinc/76/87/93/950768793.db2.gz JTQAUBIJEZNCMG-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1ccnc1 ZINC001575928015 950769089 /nfs/dbraw/zinc/76/90/89/950769089.db2.gz XOFAPVJANZUTBA-QWHCGFSZSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1ccnc1 ZINC001575928015 950769105 /nfs/dbraw/zinc/76/91/05/950769105.db2.gz XOFAPVJANZUTBA-QWHCGFSZSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765223 950776842 /nfs/dbraw/zinc/77/68/42/950776842.db2.gz GQANJDGEUIQPJV-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765223 950776855 /nfs/dbraw/zinc/77/68/55/950776855.db2.gz GQANJDGEUIQPJV-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1ccccn1 ZINC001575009215 950779596 /nfs/dbraw/zinc/77/95/96/950779596.db2.gz PVXZSISDLCCCFO-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1ccccn1 ZINC001575009215 950779603 /nfs/dbraw/zinc/77/96/03/950779603.db2.gz PVXZSISDLCCCFO-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM CC1(C)CC(CC(=O)N(CCO)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575631576 950780760 /nfs/dbraw/zinc/78/07/60/950780760.db2.gz QCPFVBZVJKNLKL-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC1(C)CC(CC(=O)N(CCO)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575631576 950780779 /nfs/dbraw/zinc/78/07/79/950780779.db2.gz QCPFVBZVJKNLKL-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CN1CCCC1=O ZINC001575929882 950785532 /nfs/dbraw/zinc/78/55/32/950785532.db2.gz CVBBPHFGFODFPW-GXFFZTMASA-N -1 3 388.407 0.425 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CN1CCCC1=O ZINC001575929882 950785550 /nfs/dbraw/zinc/78/55/50/950785550.db2.gz CVBBPHFGFODFPW-GXFFZTMASA-N -1 3 388.407 0.425 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CN1CCCC1=O ZINC001575929879 950785903 /nfs/dbraw/zinc/78/59/03/950785903.db2.gz CVBBPHFGFODFPW-GWCFXTLKSA-N -1 3 388.407 0.425 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CN1CCCC1=O ZINC001575929879 950785921 /nfs/dbraw/zinc/78/59/21/950785921.db2.gz CVBBPHFGFODFPW-GWCFXTLKSA-N -1 3 388.407 0.425 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCCC(N)=O ZINC001575929537 950786287 /nfs/dbraw/zinc/78/62/87/950786287.db2.gz CLVAAGOVIXFFKL-BXKDBHETSA-N -1 3 376.396 0.458 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCCC(N)=O ZINC001575929537 950786295 /nfs/dbraw/zinc/78/62/95/950786295.db2.gz CLVAAGOVIXFFKL-BXKDBHETSA-N -1 3 376.396 0.458 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573884182 950786336 /nfs/dbraw/zinc/78/63/36/950786336.db2.gz ALXAECNWBOHGCL-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573884182 950786359 /nfs/dbraw/zinc/78/63/59/950786359.db2.gz ALXAECNWBOHGCL-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCCC(N)=O ZINC001575929547 950787165 /nfs/dbraw/zinc/78/71/65/950787165.db2.gz CLVAAGOVIXFFKL-SKDRFNHKSA-N -1 3 376.396 0.458 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCCC(N)=O ZINC001575929547 950787179 /nfs/dbraw/zinc/78/71/79/950787179.db2.gz CLVAAGOVIXFFKL-SKDRFNHKSA-N -1 3 376.396 0.458 20 0 GCADHM C[C@H](CN(C)CC(=O)NCC(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574765441 950787767 /nfs/dbraw/zinc/78/77/67/950787767.db2.gz CIIHBWRFPXBGME-LLVKDONJSA-N -1 3 376.465 0.407 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)C1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574522143 950790870 /nfs/dbraw/zinc/79/08/70/950790870.db2.gz IRHPDABPZDQECK-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)C1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574522143 950790885 /nfs/dbraw/zinc/79/08/85/950790885.db2.gz IRHPDABPZDQECK-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CN(C)CC(=O)NCc1ccco1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574765576 950791450 /nfs/dbraw/zinc/79/14/50/950791450.db2.gz FGRPMOBMJGGHND-NSHDSACASA-N -1 3 386.416 0.154 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001573884564 950796039 /nfs/dbraw/zinc/79/60/39/950796039.db2.gz FGEUCPIADIQDTG-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001573884564 950796055 /nfs/dbraw/zinc/79/60/55/950796055.db2.gz FGEUCPIADIQDTG-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575009810 950796745 /nfs/dbraw/zinc/79/67/45/950796745.db2.gz WYQTYETXDQZKPF-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575009810 950796759 /nfs/dbraw/zinc/79/67/59/950796759.db2.gz WYQTYETXDQZKPF-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574185308 950799698 /nfs/dbraw/zinc/79/96/98/950799698.db2.gz YADWRGWPYLUFRP-CYBMUJFWSA-N -1 3 377.449 0.570 20 0 GCADHM CC(C)(C)c1nccc(N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001573884700 950799523 /nfs/dbraw/zinc/79/95/23/950799523.db2.gz JCVBYTNPDJAOPC-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nccc(N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001573884700 950799539 /nfs/dbraw/zinc/79/95/39/950799539.db2.gz JCVBYTNPDJAOPC-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574185308 950799710 /nfs/dbraw/zinc/79/97/10/950799710.db2.gz YADWRGWPYLUFRP-CYBMUJFWSA-N -1 3 377.449 0.570 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)C1 ZINC001575632491 950800573 /nfs/dbraw/zinc/80/05/73/950800573.db2.gz JVRPLZCCFGLXHA-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)C1 ZINC001575632491 950800595 /nfs/dbraw/zinc/80/05/95/950800595.db2.gz JVRPLZCCFGLXHA-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574765965 950800752 /nfs/dbraw/zinc/80/07/52/950800752.db2.gz GYWOECPKMFZCBJ-SNVBAGLBSA-N -1 3 384.400 0.895 20 0 GCADHM C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574765965 950800774 /nfs/dbraw/zinc/80/07/74/950800774.db2.gz GYWOECPKMFZCBJ-SNVBAGLBSA-N -1 3 384.400 0.895 20 0 GCADHM CC(C)N(C(=O)CN(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001574765929 950801759 /nfs/dbraw/zinc/80/17/59/950801759.db2.gz GHVOVIRNNFDSSB-ZDUSSCGKSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)N(C(=O)CN(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001574765929 950801778 /nfs/dbraw/zinc/80/17/78/950801778.db2.gz GHVOVIRNNFDSSB-ZDUSSCGKSA-N -1 3 390.492 0.890 20 0 GCADHM C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574765941 950804098 /nfs/dbraw/zinc/80/40/98/950804098.db2.gz GRPWTXQOEQNIIZ-SNVBAGLBSA-N -1 3 384.400 0.895 20 0 GCADHM C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574765941 950804110 /nfs/dbraw/zinc/80/41/10/950804110.db2.gz GRPWTXQOEQNIIZ-SNVBAGLBSA-N -1 3 384.400 0.895 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CCc1cn[nH]c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574522945 950804641 /nfs/dbraw/zinc/80/46/41/950804641.db2.gz LYGFWLJOXSGZPJ-WDEREUQCSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CCc1cn[nH]c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574522945 950804660 /nfs/dbraw/zinc/80/46/60/950804660.db2.gz LYGFWLJOXSGZPJ-WDEREUQCSA-N -1 3 385.432 0.564 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001573884732 950806276 /nfs/dbraw/zinc/80/62/76/950806276.db2.gz KETZCVMVBQFJCB-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001573884732 950806303 /nfs/dbraw/zinc/80/63/03/950806303.db2.gz KETZCVMVBQFJCB-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576219239 950806787 /nfs/dbraw/zinc/80/67/87/950806787.db2.gz SXZNVNGZESBJNL-BONVTDFDSA-N -1 3 382.432 0.664 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1ccnn1C ZINC001575010058 950806879 /nfs/dbraw/zinc/80/68/79/950806879.db2.gz ZLBYRQQPUDGBIS-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1ccnn1C ZINC001575010058 950806904 /nfs/dbraw/zinc/80/69/04/950806904.db2.gz ZLBYRQQPUDGBIS-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)co1 ZINC001573885001 950808402 /nfs/dbraw/zinc/80/84/02/950808402.db2.gz LCCYWCUXBULZBM-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)co1 ZINC001573885001 950808423 /nfs/dbraw/zinc/80/84/23/950808423.db2.gz LCCYWCUXBULZBM-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)co1 ZINC001573885025 950810233 /nfs/dbraw/zinc/81/02/33/950810233.db2.gz MKORIMCZJLLYGH-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)co1 ZINC001573885025 950810252 /nfs/dbraw/zinc/81/02/52/950810252.db2.gz MKORIMCZJLLYGH-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1nnc(CNC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)o1 ZINC001573885015 950811060 /nfs/dbraw/zinc/81/10/60/950811060.db2.gz LYLZHFXQHXJFAQ-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM CC(C)(C)c1nnc(CNC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)o1 ZINC001573885015 950811080 /nfs/dbraw/zinc/81/10/80/950811080.db2.gz LYLZHFXQHXJFAQ-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575010172 950813127 /nfs/dbraw/zinc/81/31/27/950813127.db2.gz BSKNZRJFXCOBRN-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575010172 950813151 /nfs/dbraw/zinc/81/31/51/950813151.db2.gz BSKNZRJFXCOBRN-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576219785 950813927 /nfs/dbraw/zinc/81/39/27/950813927.db2.gz UQBFEFONJRQVRW-MEBBXXQBSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nccnc1N)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574766812 950822274 /nfs/dbraw/zinc/82/22/74/950822274.db2.gz MLWHTIIPEFVCPQ-QMMMGPOBSA-N -1 3 388.823 0.860 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nccnc1N)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574766812 950822291 /nfs/dbraw/zinc/82/22/91/950822291.db2.gz MLWHTIIPEFVCPQ-QMMMGPOBSA-N -1 3 388.823 0.860 20 0 GCADHM CC(C)(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001573885492 950825384 /nfs/dbraw/zinc/82/53/84/950825384.db2.gz SIABNDCMXPIORZ-UHFFFAOYSA-N -1 3 389.445 0.355 20 0 GCADHM CC(C)(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001573885492 950825406 /nfs/dbraw/zinc/82/54/06/950825406.db2.gz SIABNDCMXPIORZ-UHFFFAOYSA-N -1 3 389.445 0.355 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001573885506 950826043 /nfs/dbraw/zinc/82/60/43/950826043.db2.gz SUYDBRSRQFSEPU-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001573885506 950826067 /nfs/dbraw/zinc/82/60/67/950826067.db2.gz SUYDBRSRQFSEPU-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)nc3)cn2C1 ZINC001576220268 950828167 /nfs/dbraw/zinc/82/81/67/950828167.db2.gz WTZGRTHUWSKOSY-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H]1CCc2nc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)nc3)cn2C1 ZINC001576220268 950828194 /nfs/dbraw/zinc/82/81/94/950828194.db2.gz WTZGRTHUWSKOSY-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573885568 950831654 /nfs/dbraw/zinc/83/16/54/950831654.db2.gz UCZYAGCFGYEIMB-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573885568 950831679 /nfs/dbraw/zinc/83/16/79/950831679.db2.gz UCZYAGCFGYEIMB-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1noc(CN2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001573885893 950837479 /nfs/dbraw/zinc/83/74/79/950837479.db2.gz WJWAIQZPAKQWNW-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM CC(C)(C)c1noc(CN2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001573885893 950837495 /nfs/dbraw/zinc/83/74/95/950837495.db2.gz WJWAIQZPAKQWNW-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM CC(C)(C)c1nnc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001573885836 950840147 /nfs/dbraw/zinc/84/01/47/950840147.db2.gz VIMMKKWNGQHJJZ-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001573885836 950840171 /nfs/dbraw/zinc/84/01/71/950840171.db2.gz VIMMKKWNGQHJJZ-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001573885944 950840686 /nfs/dbraw/zinc/84/06/86/950840686.db2.gz YDQFFZNKGGVEIE-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001573885944 950840708 /nfs/dbraw/zinc/84/07/08/950840708.db2.gz YDQFFZNKGGVEIE-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nsc(NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573887521 950847908 /nfs/dbraw/zinc/84/79/08/950847908.db2.gz GDHQVMDDIYGBHT-VIFPVBQESA-N -1 3 391.461 0.547 20 0 GCADHM CC(C)(C)c1nsc(NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573887521 950847931 /nfs/dbraw/zinc/84/79/31/950847931.db2.gz GDHQVMDDIYGBHT-VIFPVBQESA-N -1 3 391.461 0.547 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001575011162 950851023 /nfs/dbraw/zinc/85/10/23/950851023.db2.gz NGYODYDVMUEGRN-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001575011162 950851043 /nfs/dbraw/zinc/85/10/43/950851043.db2.gz NGYODYDVMUEGRN-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1nccnc1N ZINC001575934181 950853139 /nfs/dbraw/zinc/85/31/39/950853139.db2.gz QOSNKTBNPRFTNA-KCJUWKMLSA-N -1 3 384.379 0.488 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1nccnc1N ZINC001575934181 950853161 /nfs/dbraw/zinc/85/31/61/950853161.db2.gz QOSNKTBNPRFTNA-KCJUWKMLSA-N -1 3 384.379 0.488 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc(C2CC2)on1 ZINC001575011372 950856257 /nfs/dbraw/zinc/85/62/57/950856257.db2.gz OKHQITYIPPNVEL-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc(C2CC2)on1 ZINC001575011372 950856270 /nfs/dbraw/zinc/85/62/70/950856270.db2.gz OKHQITYIPPNVEL-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CCCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574189097 950861035 /nfs/dbraw/zinc/86/10/35/950861035.db2.gz BQHMGRLQSSCMKU-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574189097 950861048 /nfs/dbraw/zinc/86/10/48/950861048.db2.gz BQHMGRLQSSCMKU-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574189036 950861679 /nfs/dbraw/zinc/86/16/79/950861679.db2.gz AMEQBRMCOBKZHF-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCCC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574189036 950861699 /nfs/dbraw/zinc/86/16/99/950861699.db2.gz AMEQBRMCOBKZHF-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001575011682 950861798 /nfs/dbraw/zinc/86/17/98/950861798.db2.gz QZNASPLGLKXCDV-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001575011682 950861816 /nfs/dbraw/zinc/86/18/16/950861816.db2.gz QZNASPLGLKXCDV-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CNC(=O)C1CC1 ZINC001575934529 950862878 /nfs/dbraw/zinc/86/28/78/950862878.db2.gz SDHXKEVSOOVYSH-RNCFNFMXSA-N -1 3 388.407 0.328 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CNC(=O)C1CC1 ZINC001575934529 950862895 /nfs/dbraw/zinc/86/28/95/950862895.db2.gz SDHXKEVSOOVYSH-RNCFNFMXSA-N -1 3 388.407 0.328 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574189143 950864039 /nfs/dbraw/zinc/86/40/39/950864039.db2.gz CUDSENIJJNPGSZ-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574189143 950864054 /nfs/dbraw/zinc/86/40/54/950864054.db2.gz CUDSENIJJNPGSZ-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCc1nnc2n1CCNC2=O ZINC001573888484 950871352 /nfs/dbraw/zinc/87/13/52/950871352.db2.gz UYXBADKEYAIBOE-UHFFFAOYSA-N -1 3 399.419 0.080 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCc1nnc2n1CCNC2=O ZINC001573888484 950871366 /nfs/dbraw/zinc/87/13/66/950871366.db2.gz UYXBADKEYAIBOE-UHFFFAOYSA-N -1 3 399.419 0.080 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)Oc1ccccn1 ZINC001575011948 950874745 /nfs/dbraw/zinc/87/47/45/950874745.db2.gz UJORQRLXAOQDRD-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)Oc1ccccn1 ZINC001575011948 950874764 /nfs/dbraw/zinc/87/47/64/950874764.db2.gz UJORQRLXAOQDRD-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574527154 950878769 /nfs/dbraw/zinc/87/87/69/950878769.db2.gz AGAXNJDKHGKFOS-HTQZYQBOSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574527154 950878794 /nfs/dbraw/zinc/87/87/94/950878794.db2.gz AGAXNJDKHGKFOS-HTQZYQBOSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cnoc1C1CC1 ZINC001575012108 950880034 /nfs/dbraw/zinc/88/00/34/950880034.db2.gz WNKAVEWPQLBYLW-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cnoc1C1CC1 ZINC001575012108 950880055 /nfs/dbraw/zinc/88/00/55/950880055.db2.gz WNKAVEWPQLBYLW-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1cncn1C ZINC001575935473 950884084 /nfs/dbraw/zinc/88/40/84/950884084.db2.gz WYQPKJURBOSKTE-HZMBPMFUSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1cncn1C ZINC001575935473 950884100 /nfs/dbraw/zinc/88/41/00/950884100.db2.gz WYQPKJURBOSKTE-HZMBPMFUSA-N -1 3 385.407 0.778 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573893487 950886290 /nfs/dbraw/zinc/88/62/90/950886290.db2.gz HXHCEIPXMXIMPI-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573893487 950886305 /nfs/dbraw/zinc/88/63/05/950886305.db2.gz HXHCEIPXMXIMPI-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576226519 950887310 /nfs/dbraw/zinc/88/73/10/950887310.db2.gz BZRVCIABKUSZMQ-FZMZJTMJSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576226519 950887324 /nfs/dbraw/zinc/88/73/24/950887324.db2.gz BZRVCIABKUSZMQ-FZMZJTMJSA-N -1 3 387.444 0.446 20 0 GCADHM CC(C)(C)n1ncnc1CNC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573893581 950887729 /nfs/dbraw/zinc/88/77/29/950887729.db2.gz LWTIUFNPTPVUCK-UHFFFAOYSA-N -1 3 384.448 0.594 20 0 GCADHM CC(C)(C)n1ncnc1CNC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573893581 950887741 /nfs/dbraw/zinc/88/77/41/950887741.db2.gz LWTIUFNPTPVUCK-UHFFFAOYSA-N -1 3 384.448 0.594 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1(c2ccccn2)CC1 ZINC001575013596 950889885 /nfs/dbraw/zinc/88/98/85/950889885.db2.gz AQQFTQUNJBOXIY-LLVKDONJSA-N -1 3 380.412 0.556 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1(c2ccccn2)CC1 ZINC001575013596 950889895 /nfs/dbraw/zinc/88/98/95/950889895.db2.gz AQQFTQUNJBOXIY-LLVKDONJSA-N -1 3 380.412 0.556 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574768349 950890667 /nfs/dbraw/zinc/89/06/67/950890667.db2.gz UQBYVPDXIWIKCM-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574768349 950890687 /nfs/dbraw/zinc/89/06/87/950890687.db2.gz UQBYVPDXIWIKCM-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575012374 950890833 /nfs/dbraw/zinc/89/08/33/950890833.db2.gz ZGNVXMQRPSMTFO-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575012374 950890852 /nfs/dbraw/zinc/89/08/52/950890852.db2.gz ZGNVXMQRPSMTFO-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574768354 950891807 /nfs/dbraw/zinc/89/18/07/950891807.db2.gz URSIWHTVXSMEQK-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768354 950891824 /nfs/dbraw/zinc/89/18/24/950891824.db2.gz URSIWHTVXSMEQK-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575935712 950891943 /nfs/dbraw/zinc/89/19/43/950891943.db2.gz AORHFHFFYZNTDG-SMDDNHRTSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575935712 950891957 /nfs/dbraw/zinc/89/19/57/950891957.db2.gz AORHFHFFYZNTDG-SMDDNHRTSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001575013651 950893141 /nfs/dbraw/zinc/89/31/41/950893141.db2.gz BPUCFIKYARYQBA-PWSUYJOCSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001575013651 950893161 /nfs/dbraw/zinc/89/31/61/950893161.db2.gz BPUCFIKYARYQBA-PWSUYJOCSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001575014499 950902504 /nfs/dbraw/zinc/90/25/04/950902504.db2.gz GJEPTTZMYHZDED-SNVBAGLBSA-N -1 3 384.400 0.163 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001575014499 950902521 /nfs/dbraw/zinc/90/25/21/950902521.db2.gz GJEPTTZMYHZDED-SNVBAGLBSA-N -1 3 384.400 0.163 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(N(C)C)cn1 ZINC001575014737 950908611 /nfs/dbraw/zinc/90/86/11/950908611.db2.gz IRFMQNSNPPSYGB-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(N(C)C)cn1 ZINC001575014737 950908635 /nfs/dbraw/zinc/90/86/35/950908635.db2.gz IRFMQNSNPPSYGB-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575014693 950909999 /nfs/dbraw/zinc/90/99/99/950909999.db2.gz HZNZZNDAXCWSQP-ZANVPECISA-N -1 3 383.387 0.908 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575014693 950910011 /nfs/dbraw/zinc/91/00/11/950910011.db2.gz HZNZZNDAXCWSQP-ZANVPECISA-N -1 3 383.387 0.908 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCOc1ccccc1 ZINC001575014542 950910155 /nfs/dbraw/zinc/91/01/55/950910155.db2.gz GZEHDJSZGQTZGM-GFCCVEGCSA-N -1 3 383.412 0.898 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCOc1ccccc1 ZINC001575014542 950910169 /nfs/dbraw/zinc/91/01/69/950910169.db2.gz GZEHDJSZGQTZGM-GFCCVEGCSA-N -1 3 383.412 0.898 20 0 GCADHM CC(C)(C)n1cc(CNC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)nn1 ZINC001573893973 950914286 /nfs/dbraw/zinc/91/42/86/950914286.db2.gz GRKWXYOZFKSTRE-UHFFFAOYSA-N -1 3 384.448 0.594 20 0 GCADHM CC(C)(C)n1cc(CNC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)nn1 ZINC001573893973 950914297 /nfs/dbraw/zinc/91/42/97/950914297.db2.gz GRKWXYOZFKSTRE-UHFFFAOYSA-N -1 3 384.448 0.594 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001573893933 950915424 /nfs/dbraw/zinc/91/54/24/950915424.db2.gz CSYXRZBDRCHLJO-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001573893933 950915444 /nfs/dbraw/zinc/91/54/44/950915444.db2.gz CSYXRZBDRCHLJO-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCc1cccnc1 ZINC001575014979 950917979 /nfs/dbraw/zinc/91/79/79/950917979.db2.gz KROYDLMBSDBTHC-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCc1cccnc1 ZINC001575014979 950917996 /nfs/dbraw/zinc/91/79/96/950917996.db2.gz KROYDLMBSDBTHC-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001573894027 950920133 /nfs/dbraw/zinc/92/01/33/950920133.db2.gz JEYVMJQWLIZULA-CYBMUJFWSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001573894027 950920163 /nfs/dbraw/zinc/92/01/63/950920163.db2.gz JEYVMJQWLIZULA-CYBMUJFWSA-N -1 3 385.432 0.416 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575641665 950922301 /nfs/dbraw/zinc/92/23/01/950922301.db2.gz CWYYOPTWCGPLDL-STQMWFEESA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575641665 950922317 /nfs/dbraw/zinc/92/23/17/950922317.db2.gz CWYYOPTWCGPLDL-STQMWFEESA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001573894151 950924621 /nfs/dbraw/zinc/92/46/21/950924621.db2.gz NXDJPAGVVKFNES-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001573894151 950924636 /nfs/dbraw/zinc/92/46/36/950924636.db2.gz NXDJPAGVVKFNES-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ccc(C(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573894408 950929304 /nfs/dbraw/zinc/92/93/04/950929304.db2.gz RLSZBMVABBQXJE-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1ccc(C(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573894408 950929317 /nfs/dbraw/zinc/92/93/17/950929317.db2.gz RLSZBMVABBQXJE-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001573894540 950931516 /nfs/dbraw/zinc/93/15/16/950931516.db2.gz VQZKLWGXRPFDTJ-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001573894540 950931533 /nfs/dbraw/zinc/93/15/33/950931533.db2.gz VQZKLWGXRPFDTJ-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001573894663 950933423 /nfs/dbraw/zinc/93/34/23/950933423.db2.gz WVLDSRADGSNREA-ZDUSSCGKSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001573894663 950933438 /nfs/dbraw/zinc/93/34/38/950933438.db2.gz WVLDSRADGSNREA-ZDUSSCGKSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575015442 950934685 /nfs/dbraw/zinc/93/46/85/950934685.db2.gz QQZSHQWFXHEKQE-KGYLQXTDSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575015442 950934698 /nfs/dbraw/zinc/93/46/98/950934698.db2.gz QQZSHQWFXHEKQE-KGYLQXTDSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575937165 950938144 /nfs/dbraw/zinc/93/81/44/950938144.db2.gz JKUVIXLZKVPSRR-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575937165 950938163 /nfs/dbraw/zinc/93/81/63/950938163.db2.gz JKUVIXLZKVPSRR-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCCCO1 ZINC001575015714 950943750 /nfs/dbraw/zinc/94/37/50/950943750.db2.gz VKYRETSJTQMHMK-RYUDHWBXSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCCCO1 ZINC001575015714 950943772 /nfs/dbraw/zinc/94/37/72/950943772.db2.gz VKYRETSJTQMHMK-RYUDHWBXSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575937339 950947251 /nfs/dbraw/zinc/94/72/51/950947251.db2.gz KIMMVZUMHSTVGN-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575937339 950947269 /nfs/dbraw/zinc/94/72/69/950947269.db2.gz KIMMVZUMHSTVGN-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575642838 950949310 /nfs/dbraw/zinc/94/93/10/950949310.db2.gz IYLXLAZRWOCRSQ-GFCCVEGCSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575642838 950949332 /nfs/dbraw/zinc/94/93/32/950949332.db2.gz IYLXLAZRWOCRSQ-GFCCVEGCSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001575015838 950949634 /nfs/dbraw/zinc/94/96/34/950949634.db2.gz WTSRQOTYTAGYLK-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001575015838 950949649 /nfs/dbraw/zinc/94/96/49/950949649.db2.gz WTSRQOTYTAGYLK-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576228563 950950000 /nfs/dbraw/zinc/95/00/00/950950000.db2.gz HQSLPRBLVSCYNV-MFKMUULPSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576228563 950950010 /nfs/dbraw/zinc/95/00/10/950950010.db2.gz HQSLPRBLVSCYNV-MFKMUULPSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575015772 950950226 /nfs/dbraw/zinc/95/02/26/950950226.db2.gz WESOOISNTSDJHF-ZJUUUORDSA-N -1 3 383.416 0.273 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001575643267 950966883 /nfs/dbraw/zinc/96/68/83/950966883.db2.gz LBCJYYMSRQJRKW-VXGBXAGGSA-N -1 3 385.428 0.341 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001575643267 950966895 /nfs/dbraw/zinc/96/68/95/950966895.db2.gz LBCJYYMSRQJRKW-VXGBXAGGSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnn1C1CCC1 ZINC001575016930 950969970 /nfs/dbraw/zinc/96/99/70/950969970.db2.gz CTRIMOIBPXBQOV-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnn1C1CCC1 ZINC001575016930 950969983 /nfs/dbraw/zinc/96/99/83/950969983.db2.gz CTRIMOIBPXBQOV-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C1CC1 ZINC001573899501 950977335 /nfs/dbraw/zinc/97/73/35/950977335.db2.gz AZKCUVYMYISXEI-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C1CC1 ZINC001573899501 950977351 /nfs/dbraw/zinc/97/73/51/950977351.db2.gz AZKCUVYMYISXEI-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575017242 950980143 /nfs/dbraw/zinc/98/01/43/950980143.db2.gz CCSHFFIWTOKGSI-QMMMGPOBSA-N -1 3 389.807 0.889 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575017242 950980162 /nfs/dbraw/zinc/98/01/62/950980162.db2.gz CCSHFFIWTOKGSI-QMMMGPOBSA-N -1 3 389.807 0.889 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575017237 950980433 /nfs/dbraw/zinc/98/04/33/950980433.db2.gz CCNMTFSCNZXUEV-QMMMGPOBSA-N -1 3 387.379 0.083 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575017237 950980451 /nfs/dbraw/zinc/98/04/51/950980451.db2.gz CCNMTFSCNZXUEV-QMMMGPOBSA-N -1 3 387.379 0.083 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001575643892 950981748 /nfs/dbraw/zinc/98/17/48/950981748.db2.gz QLQZEOPENILXDY-LBPRGKRZSA-N -1 3 385.428 0.294 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001575643892 950981777 /nfs/dbraw/zinc/98/17/77/950981777.db2.gz QLQZEOPENILXDY-LBPRGKRZSA-N -1 3 385.428 0.294 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573899583 950983384 /nfs/dbraw/zinc/98/33/84/950983384.db2.gz GQTCYHDZRHBRGF-QMMMGPOBSA-N -1 3 385.375 0.083 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573899583 950983408 /nfs/dbraw/zinc/98/34/08/950983408.db2.gz GQTCYHDZRHBRGF-QMMMGPOBSA-N -1 3 385.375 0.083 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575644485 950988063 /nfs/dbraw/zinc/98/80/63/950988063.db2.gz UCLGNXIYQPUEON-SGTLLEGYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575644485 950988080 /nfs/dbraw/zinc/98/80/80/950988080.db2.gz UCLGNXIYQPUEON-SGTLLEGYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)C(F)(F)F ZINC001573899689 950990684 /nfs/dbraw/zinc/99/06/84/950990684.db2.gz ISXVKLDEAITDEJ-GHMZBOCLSA-N -1 3 399.377 0.906 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)C(F)(F)F ZINC001573899689 950990692 /nfs/dbraw/zinc/99/06/92/950990692.db2.gz ISXVKLDEAITDEJ-GHMZBOCLSA-N -1 3 399.377 0.906 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575938848 950990814 /nfs/dbraw/zinc/99/08/14/950990814.db2.gz OUBSCXJJGHDFBA-FZMZJTMJSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575938848 950990822 /nfs/dbraw/zinc/99/08/22/950990822.db2.gz OUBSCXJJGHDFBA-FZMZJTMJSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001575017771 951007797 /nfs/dbraw/zinc/00/77/97/951007797.db2.gz NEQKDOCTJVRFKL-SECBINFHSA-N -1 3 383.416 0.345 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575018206 951019647 /nfs/dbraw/zinc/01/96/47/951019647.db2.gz MKWDHXXSXDNPCS-MRVPVSSYSA-N -1 3 389.807 0.665 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575018206 951019659 /nfs/dbraw/zinc/01/96/59/951019659.db2.gz MKWDHXXSXDNPCS-MRVPVSSYSA-N -1 3 389.807 0.665 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575019831 951047589 /nfs/dbraw/zinc/04/75/89/951047589.db2.gz VTCHMEJSQNHAKA-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575019831 951047609 /nfs/dbraw/zinc/04/76/09/951047609.db2.gz VTCHMEJSQNHAKA-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575022101 951068079 /nfs/dbraw/zinc/06/80/79/951068079.db2.gz HHIROBDRJAUONE-SECBINFHSA-N -1 3 384.375 0.730 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575022101 951068093 /nfs/dbraw/zinc/06/80/93/951068093.db2.gz HHIROBDRJAUONE-SECBINFHSA-N -1 3 384.375 0.730 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575023943 951089479 /nfs/dbraw/zinc/08/94/79/951089479.db2.gz STGYNUFLJRIKBF-SECBINFHSA-N -1 3 386.441 0.677 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575023943 951089492 /nfs/dbraw/zinc/08/94/92/951089492.db2.gz STGYNUFLJRIKBF-SECBINFHSA-N -1 3 386.441 0.677 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575024470 951103616 /nfs/dbraw/zinc/10/36/16/951103616.db2.gz FJCUTZPYYHQAHY-QMMMGPOBSA-N -1 3 380.372 0.469 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575024470 951103634 /nfs/dbraw/zinc/10/36/34/951103634.db2.gz FJCUTZPYYHQAHY-QMMMGPOBSA-N -1 3 380.372 0.469 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575024955 951120897 /nfs/dbraw/zinc/12/08/97/951120897.db2.gz QLKHWWFMFFERIH-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575024955 951120912 /nfs/dbraw/zinc/12/09/12/951120912.db2.gz QLKHWWFMFFERIH-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575027186 951154503 /nfs/dbraw/zinc/15/45/03/951154503.db2.gz CYEAPNNERJHSIN-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575027186 951154511 /nfs/dbraw/zinc/15/45/11/951154511.db2.gz CYEAPNNERJHSIN-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575027571 951160896 /nfs/dbraw/zinc/16/08/96/951160896.db2.gz GHIJKOAGZDAZLT-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575027571 951160909 /nfs/dbraw/zinc/16/09/09/951160909.db2.gz GHIJKOAGZDAZLT-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(=O)n1C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575028487 951174209 /nfs/dbraw/zinc/17/42/09/951174209.db2.gz XNTUFYCHJVDXBJ-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(=O)n1C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575028487 951174220 /nfs/dbraw/zinc/17/42/20/951174220.db2.gz XNTUFYCHJVDXBJ-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575031646 951198240 /nfs/dbraw/zinc/19/82/40/951198240.db2.gz GANIOUVIFGOPDU-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575031646 951198245 /nfs/dbraw/zinc/19/82/45/951198245.db2.gz GANIOUVIFGOPDU-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@](CNC(=O)c1cccnc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575031640 951199402 /nfs/dbraw/zinc/19/94/02/951199402.db2.gz FWOSCBKLFUKKSW-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1cccnc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575031640 951199405 /nfs/dbraw/zinc/19/94/05/951199405.db2.gz FWOSCBKLFUKKSW-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CNC(=O)c1cccn2nccc12)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575031802 951204478 /nfs/dbraw/zinc/20/44/78/951204478.db2.gz JHGXJXNSAHUVBW-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1cccn2nccc12)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575031802 951204483 /nfs/dbraw/zinc/20/44/83/951204483.db2.gz JHGXJXNSAHUVBW-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@](CNC(=O)c1ccccn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575031874 951206395 /nfs/dbraw/zinc/20/63/95/951206395.db2.gz KXAODGLZXLXDIE-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1ccccn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575031874 951206411 /nfs/dbraw/zinc/20/64/11/951206411.db2.gz KXAODGLZXLXDIE-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1ccccn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575031873 951208365 /nfs/dbraw/zinc/20/83/65/951208365.db2.gz KXAODGLZXLXDIE-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1ccccn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575031873 951208378 /nfs/dbraw/zinc/20/83/78/951208378.db2.gz KXAODGLZXLXDIE-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575031972 951210229 /nfs/dbraw/zinc/21/02/29/951210229.db2.gz NGCPCKROKHWBJX-NSHDSACASA-N -1 3 385.403 0.959 20 0 GCADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575031972 951210234 /nfs/dbraw/zinc/21/02/34/951210234.db2.gz NGCPCKROKHWBJX-NSHDSACASA-N -1 3 385.403 0.959 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575034222 951241800 /nfs/dbraw/zinc/24/18/00/951241800.db2.gz JUYWORIADYXTDH-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575034222 951241814 /nfs/dbraw/zinc/24/18/14/951241814.db2.gz JUYWORIADYXTDH-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ncccc1-c1nnn[n-]1 ZINC001575034585 951250069 /nfs/dbraw/zinc/25/00/69/951250069.db2.gz NYWBRLMKLDVKOD-VIFPVBQESA-N -1 3 379.384 0.382 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ncccc1-c1nn[n-]n1 ZINC001575034585 951250084 /nfs/dbraw/zinc/25/00/84/951250084.db2.gz NYWBRLMKLDVKOD-VIFPVBQESA-N -1 3 379.384 0.382 20 0 GCADHM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ncccc1-c1nnn[n-]1 ZINC001575034584 951250654 /nfs/dbraw/zinc/25/06/54/951250654.db2.gz NYWBRLMKLDVKOD-SECBINFHSA-N -1 3 379.384 0.382 20 0 GCADHM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ncccc1-c1nn[n-]n1 ZINC001575034584 951250665 /nfs/dbraw/zinc/25/06/65/951250665.db2.gz NYWBRLMKLDVKOD-SECBINFHSA-N -1 3 379.384 0.382 20 0 GCADHM C[C@](CNC(=O)c1ccns1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575034895 951261924 /nfs/dbraw/zinc/26/19/24/951261924.db2.gz QDAUCURVRISRMC-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1ccns1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575034895 951261936 /nfs/dbraw/zinc/26/19/36/951261936.db2.gz QDAUCURVRISRMC-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575035516 951276446 /nfs/dbraw/zinc/27/64/46/951276446.db2.gz JPQQVZKZFOIXNI-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575035516 951276453 /nfs/dbraw/zinc/27/64/53/951276453.db2.gz JPQQVZKZFOIXNI-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575035618 951280229 /nfs/dbraw/zinc/28/02/29/951280229.db2.gz ZLGUTNZRBJDHGH-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575035618 951280240 /nfs/dbraw/zinc/28/02/40/951280240.db2.gz ZLGUTNZRBJDHGH-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575035754 951282474 /nfs/dbraw/zinc/28/24/74/951282474.db2.gz KOGNVGXXOXXEPF-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575035754 951282486 /nfs/dbraw/zinc/28/24/86/951282486.db2.gz KOGNVGXXOXXEPF-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(-c2ccncc2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575036641 951297912 /nfs/dbraw/zinc/29/79/12/951297912.db2.gz UVRXMJHWNIMALB-NSHDSACASA-N -1 3 391.399 0.468 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(-c2ccncc2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575036641 951297919 /nfs/dbraw/zinc/29/79/19/951297919.db2.gz UVRXMJHWNIMALB-NSHDSACASA-N -1 3 391.399 0.468 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001575040630 951344111 /nfs/dbraw/zinc/34/41/11/951344111.db2.gz ZYEJOKVWAOLETD-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001575040630 951344122 /nfs/dbraw/zinc/34/41/22/951344122.db2.gz ZYEJOKVWAOLETD-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575040593 951344649 /nfs/dbraw/zinc/34/46/49/951344649.db2.gz ZCFWSLQPXYANDU-SNVBAGLBSA-N -1 3 384.400 0.137 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575040593 951344669 /nfs/dbraw/zinc/34/46/69/951344669.db2.gz ZCFWSLQPXYANDU-SNVBAGLBSA-N -1 3 384.400 0.137 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575041801 951353241 /nfs/dbraw/zinc/35/32/41/951353241.db2.gz CJUFSUSSMPLTGX-SECBINFHSA-N -1 3 386.395 0.948 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575041801 951353249 /nfs/dbraw/zinc/35/32/49/951353249.db2.gz CJUFSUSSMPLTGX-SECBINFHSA-N -1 3 386.395 0.948 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575041981 951356397 /nfs/dbraw/zinc/35/63/97/951356397.db2.gz FKHZRPLWSFKWSO-LLVKDONJSA-N -1 3 385.403 0.959 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575041981 951356410 /nfs/dbraw/zinc/35/64/10/951356410.db2.gz FKHZRPLWSFKWSO-LLVKDONJSA-N -1 3 385.403 0.959 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575042599 951365408 /nfs/dbraw/zinc/36/54/08/951365408.db2.gz AOBYXWKZLKOXPJ-LLVKDONJSA-N -1 3 383.416 0.243 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575042599 951365426 /nfs/dbraw/zinc/36/54/26/951365426.db2.gz AOBYXWKZLKOXPJ-LLVKDONJSA-N -1 3 383.416 0.243 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575042730 951368418 /nfs/dbraw/zinc/36/84/18/951368418.db2.gz BFECFNCKBFCLNI-NSHDSACASA-N -1 3 383.416 0.466 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575042730 951368433 /nfs/dbraw/zinc/36/84/33/951368433.db2.gz BFECFNCKBFCLNI-NSHDSACASA-N -1 3 383.416 0.466 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575042978 951378043 /nfs/dbraw/zinc/37/80/43/951378043.db2.gz FAGXJQWCZJBIAS-NSHDSACASA-N -1 3 383.416 0.243 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575042978 951378053 /nfs/dbraw/zinc/37/80/53/951378053.db2.gz FAGXJQWCZJBIAS-NSHDSACASA-N -1 3 383.416 0.243 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575043189 951382098 /nfs/dbraw/zinc/38/20/98/951382098.db2.gz GPUWVHKCGDREHD-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575043189 951382106 /nfs/dbraw/zinc/38/21/06/951382106.db2.gz GPUWVHKCGDREHD-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043443 951393372 /nfs/dbraw/zinc/39/33/72/951393372.db2.gz JHICKJFUMQMVPY-SKDRFNHKSA-N -1 3 384.404 0.462 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575043528 951397112 /nfs/dbraw/zinc/39/71/12/951397112.db2.gz SXRNPLMYJNWQLH-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575043528 951397128 /nfs/dbraw/zinc/39/71/28/951397128.db2.gz SXRNPLMYJNWQLH-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575044073 951408769 /nfs/dbraw/zinc/40/87/69/951408769.db2.gz PBAYXCRIJFDONS-NSHDSACASA-N -1 3 382.432 0.596 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575044073 951408774 /nfs/dbraw/zinc/40/87/74/951408774.db2.gz PBAYXCRIJFDONS-NSHDSACASA-N -1 3 382.432 0.596 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575044346 951412339 /nfs/dbraw/zinc/41/23/39/951412339.db2.gz RJLXNAJRBMDNKC-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575044346 951412350 /nfs/dbraw/zinc/41/23/50/951412350.db2.gz RJLXNAJRBMDNKC-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575044348 951412431 /nfs/dbraw/zinc/41/24/31/951412431.db2.gz RJLXNAJRBMDNKC-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575044348 951412439 /nfs/dbraw/zinc/41/24/39/951412439.db2.gz RJLXNAJRBMDNKC-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575044804 951418818 /nfs/dbraw/zinc/41/88/18/951418818.db2.gz VIRPEILKJHDJRQ-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575044804 951418829 /nfs/dbraw/zinc/41/88/29/951418829.db2.gz VIRPEILKJHDJRQ-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575046580 951443155 /nfs/dbraw/zinc/44/31/55/951443155.db2.gz PNIPHODDSWPVGK-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575046580 951443169 /nfs/dbraw/zinc/44/31/69/951443169.db2.gz PNIPHODDSWPVGK-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575046491 951443627 /nfs/dbraw/zinc/44/36/27/951443627.db2.gz OQMDLMUURLWCRH-JTQLQIEISA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575046491 951443633 /nfs/dbraw/zinc/44/36/33/951443633.db2.gz OQMDLMUURLWCRH-JTQLQIEISA-N -1 3 383.416 0.657 20 0 GCADHM C[C@@](CNC(=O)c1cnccn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575046695 951445667 /nfs/dbraw/zinc/44/56/67/951445667.db2.gz RDFVXYMIHXGEOF-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cnccn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575046695 951445675 /nfs/dbraw/zinc/44/56/75/951445675.db2.gz RDFVXYMIHXGEOF-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cncs1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575052340 951461648 /nfs/dbraw/zinc/46/16/48/951461648.db2.gz GSVSMSUUVDDHQH-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1cncs1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575052340 951461660 /nfs/dbraw/zinc/46/16/60/951461660.db2.gz GSVSMSUUVDDHQH-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(-c2ccncc2)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575052360 951461719 /nfs/dbraw/zinc/46/17/19/951461719.db2.gz HAWGWLAKFIKPNR-NSHDSACASA-N -1 3 391.399 0.468 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(-c2ccncc2)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575052360 951461731 /nfs/dbraw/zinc/46/17/31/951461731.db2.gz HAWGWLAKFIKPNR-NSHDSACASA-N -1 3 391.399 0.468 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575053095 951474337 /nfs/dbraw/zinc/47/43/37/951474337.db2.gz QKZVQMMUDCPWBP-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575053095 951474342 /nfs/dbraw/zinc/47/43/42/951474342.db2.gz QKZVQMMUDCPWBP-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053394 951478175 /nfs/dbraw/zinc/47/81/75/951478175.db2.gz BZGOWKSLLJORTB-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053394 951478182 /nfs/dbraw/zinc/47/81/82/951478182.db2.gz BZGOWKSLLJORTB-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@](CNC(=O)c1cnns1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575053379 951478922 /nfs/dbraw/zinc/47/89/22/951478922.db2.gz BUASZTGPJAGBFM-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1cnns1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575053379 951478934 /nfs/dbraw/zinc/47/89/34/951478934.db2.gz BUASZTGPJAGBFM-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001575053639 951481113 /nfs/dbraw/zinc/48/11/13/951481113.db2.gz SQMHREVCOISVLG-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001575053639 951481116 /nfs/dbraw/zinc/48/11/16/951481116.db2.gz SQMHREVCOISVLG-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575053684 951481821 /nfs/dbraw/zinc/48/18/21/951481821.db2.gz COSUBRMXEMRMHV-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575053684 951481835 /nfs/dbraw/zinc/48/18/35/951481835.db2.gz COSUBRMXEMRMHV-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001575053677 951481955 /nfs/dbraw/zinc/48/19/55/951481955.db2.gz UGEOFCFTEZPARM-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001575053677 951481967 /nfs/dbraw/zinc/48/19/67/951481967.db2.gz UGEOFCFTEZPARM-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575054238 951488363 /nfs/dbraw/zinc/48/83/63/951488363.db2.gz GPUYKSSOUJTYRV-SNVBAGLBSA-N -1 3 389.395 0.157 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575054238 951488371 /nfs/dbraw/zinc/48/83/71/951488371.db2.gz GPUYKSSOUJTYRV-SNVBAGLBSA-N -1 3 389.395 0.157 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575054309 951492357 /nfs/dbraw/zinc/49/23/57/951492357.db2.gz IMPXBBXQHXKLRR-JTQLQIEISA-N -1 3 383.416 0.350 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575054309 951492366 /nfs/dbraw/zinc/49/23/66/951492366.db2.gz IMPXBBXQHXKLRR-JTQLQIEISA-N -1 3 383.416 0.350 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575054623 951494259 /nfs/dbraw/zinc/49/42/59/951494259.db2.gz ZJTJAPDMVWHUNQ-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575054623 951494269 /nfs/dbraw/zinc/49/42/69/951494269.db2.gz ZJTJAPDMVWHUNQ-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2ncccc12)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575055076 951500039 /nfs/dbraw/zinc/50/00/39/951500039.db2.gz NIUSBECXBZBOJS-NSHDSACASA-N -1 3 378.400 0.559 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2ncccc12)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575055076 951500045 /nfs/dbraw/zinc/50/00/45/951500045.db2.gz NIUSBECXBZBOJS-NSHDSACASA-N -1 3 378.400 0.559 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575055362 951504397 /nfs/dbraw/zinc/50/43/97/951504397.db2.gz ROEHSMSJIPMVCQ-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575055362 951504400 /nfs/dbraw/zinc/50/44/00/951504400.db2.gz ROEHSMSJIPMVCQ-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCC2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055421 951506358 /nfs/dbraw/zinc/50/63/58/951506358.db2.gz SYXJWDMRDFALPO-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055421 951506361 /nfs/dbraw/zinc/50/63/61/951506361.db2.gz SYXJWDMRDFALPO-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@](CNC(=O)c1n[nH]cc1F)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575060620 951543240 /nfs/dbraw/zinc/54/32/40/951543240.db2.gz BJOCVIYFHVAOLI-INIZCTEOSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575060645 951546064 /nfs/dbraw/zinc/54/60/64/951546064.db2.gz BVQQLOMQBLRVOI-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CNC(=O)c1ncc(F)cc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575060989 951555051 /nfs/dbraw/zinc/55/50/51/951555051.db2.gz KRIRBPLPQMOEQK-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H](CNC(=O)c1ncc(F)cc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575060989 951555063 /nfs/dbraw/zinc/55/50/63/951555063.db2.gz KRIRBPLPQMOEQK-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@](CNC(=O)c1csnn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575061194 951555738 /nfs/dbraw/zinc/55/57/38/951555738.db2.gz LJJQYZIKOUUNNV-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1csnn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575061194 951555748 /nfs/dbraw/zinc/55/57/48/951555748.db2.gz LJJQYZIKOUUNNV-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1csnn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575061173 951555773 /nfs/dbraw/zinc/55/57/73/951555773.db2.gz KTPXSBKVEZBVAI-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1csnn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575061173 951555784 /nfs/dbraw/zinc/55/57/84/951555784.db2.gz KTPXSBKVEZBVAI-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(F)cc1F)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575061275 951555978 /nfs/dbraw/zinc/55/59/78/951555978.db2.gz MJFPFEWIHKTIJP-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(F)cc1F)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575061275 951555990 /nfs/dbraw/zinc/55/59/90/951555990.db2.gz MJFPFEWIHKTIJP-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(F)cc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575062847 951574276 /nfs/dbraw/zinc/57/42/76/951574276.db2.gz ZPUXQOGCNCLZMX-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(F)cc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575062847 951574280 /nfs/dbraw/zinc/57/42/80/951574280.db2.gz ZPUXQOGCNCLZMX-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575066014 951591342 /nfs/dbraw/zinc/59/13/42/951591342.db2.gz JPXLKIRZQIVJJH-MRVPVSSYSA-N -1 3 389.399 0.373 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575066014 951591352 /nfs/dbraw/zinc/59/13/52/951591352.db2.gz JPXLKIRZQIVJJH-MRVPVSSYSA-N -1 3 389.399 0.373 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575066862 951599975 /nfs/dbraw/zinc/59/99/75/951599975.db2.gz NEXPSJZABVVLAM-JTQLQIEISA-N -1 3 385.436 0.481 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575066862 951599983 /nfs/dbraw/zinc/59/99/83/951599983.db2.gz NEXPSJZABVVLAM-JTQLQIEISA-N -1 3 385.436 0.481 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575066966 951601972 /nfs/dbraw/zinc/60/19/72/951601972.db2.gz OCDIBTUJIAJWTF-SNVBAGLBSA-N -1 3 384.400 0.800 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575066966 951601979 /nfs/dbraw/zinc/60/19/79/951601979.db2.gz OCDIBTUJIAJWTF-SNVBAGLBSA-N -1 3 384.400 0.800 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575067214 951603676 /nfs/dbraw/zinc/60/36/76/951603676.db2.gz KLUZQGGLQLFYBP-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575067214 951603682 /nfs/dbraw/zinc/60/36/82/951603682.db2.gz KLUZQGGLQLFYBP-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1nccnc1N)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575067845 951623919 /nfs/dbraw/zinc/62/39/19/951623919.db2.gz PNENOZLRLAXICC-QMMMGPOBSA-N -1 3 388.823 0.765 20 0 GCADHM C[C@H](CNC(=O)c1nccnc1N)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575067845 951623925 /nfs/dbraw/zinc/62/39/25/951623925.db2.gz PNENOZLRLAXICC-QMMMGPOBSA-N -1 3 388.823 0.765 20 0 GCADHM C[C@@H](CNC(=O)c1nccnc1N)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575068109 951632408 /nfs/dbraw/zinc/63/24/08/951632408.db2.gz XSWLYBGAHDGNNO-QMMMGPOBSA-N -1 3 388.823 0.542 20 0 GCADHM C[C@@H](CNC(=O)c1nccnc1N)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575068109 951632411 /nfs/dbraw/zinc/63/24/11/951632411.db2.gz XSWLYBGAHDGNNO-QMMMGPOBSA-N -1 3 388.823 0.542 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575069631 951645321 /nfs/dbraw/zinc/64/53/21/951645321.db2.gz LFABTLBXDPUHPM-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575069631 951645328 /nfs/dbraw/zinc/64/53/28/951645328.db2.gz LFABTLBXDPUHPM-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM C[C@@H](CNCc1nnsc1Cl)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575117394 951980188 /nfs/dbraw/zinc/98/01/88/951980188.db2.gz NDFUDHQLRMKLIX-ZETCQYMHSA-N -1 3 381.853 0.855 20 0 GCADHM C[C@@H](CNCc1nnsc1Cl)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575117394 951980196 /nfs/dbraw/zinc/98/01/96/951980196.db2.gz NDFUDHQLRMKLIX-ZETCQYMHSA-N -1 3 381.853 0.855 20 0 GCADHM C[C@@H](CNCc1nnsc1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575118257 951983687 /nfs/dbraw/zinc/98/36/87/951983687.db2.gz RMCMKENLWABDSI-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNCc1nnsc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575118257 951983694 /nfs/dbraw/zinc/98/36/94/951983694.db2.gz RMCMKENLWABDSI-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNCc1ncnn1C(C)(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575118908 951986962 /nfs/dbraw/zinc/98/69/62/951986962.db2.gz VOFDZJLUMNEAJY-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNCc1nnc2n1CCCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575118899 951987025 /nfs/dbraw/zinc/98/70/25/951987025.db2.gz VKPKMRUUHITRGG-NSHDSACASA-N -1 3 384.448 0.373 20 0 GCADHM C[C@@H](CNCc1nnc2n1CCCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575118899 951987029 /nfs/dbraw/zinc/98/70/29/951987029.db2.gz VKPKMRUUHITRGG-NSHDSACASA-N -1 3 384.448 0.373 20 0 GCADHM C[C@@H](CNCc1nsc(N(C)C)n1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575119272 951987108 /nfs/dbraw/zinc/98/71/08/951987108.db2.gz WHZWSUIIQGJMQC-VIFPVBQESA-N -1 3 390.477 0.268 20 0 GCADHM C[C@@H](CNCc1nsc(N(C)C)n1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575119272 951987115 /nfs/dbraw/zinc/98/71/15/951987115.db2.gz WHZWSUIIQGJMQC-VIFPVBQESA-N -1 3 390.477 0.268 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575121742 951998981 /nfs/dbraw/zinc/99/89/81/951998981.db2.gz GTFCKFNHXUHAJA-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575121742 951998982 /nfs/dbraw/zinc/99/89/82/951998982.db2.gz GTFCKFNHXUHAJA-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575122207 952002156 /nfs/dbraw/zinc/00/21/56/952002156.db2.gz KLGZIERQYVPIRA-ACJLOTCBSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575122207 952002168 /nfs/dbraw/zinc/00/21/68/952002168.db2.gz KLGZIERQYVPIRA-ACJLOTCBSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575122706 952004819 /nfs/dbraw/zinc/00/48/19/952004819.db2.gz MXEZEWWPPNVBLE-XIKOKIGWSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575122706 952004825 /nfs/dbraw/zinc/00/48/25/952004825.db2.gz MXEZEWWPPNVBLE-XIKOKIGWSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575123014 952008494 /nfs/dbraw/zinc/00/84/94/952008494.db2.gz BTONXGQHBAMQTE-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575123014 952008505 /nfs/dbraw/zinc/00/85/05/952008505.db2.gz BTONXGQHBAMQTE-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575123042 952009486 /nfs/dbraw/zinc/00/94/86/952009486.db2.gz NQSOPYKFOPHWNA-MRXNPFEDSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575123042 952009498 /nfs/dbraw/zinc/00/94/98/952009498.db2.gz NQSOPYKFOPHWNA-MRXNPFEDSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575123716 952020352 /nfs/dbraw/zinc/02/03/52/952020352.db2.gz QIRCOPUWTWBBDH-MRXNPFEDSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575123716 952020360 /nfs/dbraw/zinc/02/03/60/952020360.db2.gz QIRCOPUWTWBBDH-MRXNPFEDSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575124022 952021902 /nfs/dbraw/zinc/02/19/02/952021902.db2.gz FGGKNDGOANZAMF-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575124022 952021910 /nfs/dbraw/zinc/02/19/10/952021910.db2.gz FGGKNDGOANZAMF-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575124072 952022666 /nfs/dbraw/zinc/02/26/66/952022666.db2.gz FRJWWBGLHNQPJP-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575124072 952022674 /nfs/dbraw/zinc/02/26/74/952022674.db2.gz FRJWWBGLHNQPJP-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575124558 952032767 /nfs/dbraw/zinc/03/27/67/952032767.db2.gz UGWMGYRMSKKYIK-GFCCVEGCSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575124558 952032776 /nfs/dbraw/zinc/03/27/76/952032776.db2.gz UGWMGYRMSKKYIK-GFCCVEGCSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575125115 952038850 /nfs/dbraw/zinc/03/88/50/952038850.db2.gz MHFDSFCFKHLUEL-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575125115 952038857 /nfs/dbraw/zinc/03/88/57/952038857.db2.gz MHFDSFCFKHLUEL-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575125677 952046011 /nfs/dbraw/zinc/04/60/11/952046011.db2.gz PQCNVRHEKFRHGC-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575125677 952046017 /nfs/dbraw/zinc/04/60/17/952046017.db2.gz PQCNVRHEKFRHGC-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575126601 952053586 /nfs/dbraw/zinc/05/35/86/952053586.db2.gz TVHDNEWGVKOCLG-KDOFPFPSSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575126601 952053594 /nfs/dbraw/zinc/05/35/94/952053594.db2.gz TVHDNEWGVKOCLG-KDOFPFPSSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575127310 952055196 /nfs/dbraw/zinc/05/51/96/952055196.db2.gz XAVIYRUBJVHESA-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575127310 952055201 /nfs/dbraw/zinc/05/52/01/952055201.db2.gz XAVIYRUBJVHESA-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575127343 952057879 /nfs/dbraw/zinc/05/78/79/952057879.db2.gz XXUHJELIKHXBLU-NWDGAFQWSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575127343 952057886 /nfs/dbraw/zinc/05/78/86/952057886.db2.gz XXUHJELIKHXBLU-NWDGAFQWSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575127344 952057989 /nfs/dbraw/zinc/05/79/89/952057989.db2.gz XXUHJELIKHXBLU-RYUDHWBXSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575127344 952057995 /nfs/dbraw/zinc/05/79/95/952057995.db2.gz XXUHJELIKHXBLU-RYUDHWBXSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575127612 952058930 /nfs/dbraw/zinc/05/89/30/952058930.db2.gz ZBALKQRSKRNGKE-PWSUYJOCSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575127612 952058937 /nfs/dbraw/zinc/05/89/37/952058937.db2.gz ZBALKQRSKRNGKE-PWSUYJOCSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1noc2c1COCC2 ZINC001575127948 952061812 /nfs/dbraw/zinc/06/18/12/952061812.db2.gz DPARQBMWZDGDCA-JTQLQIEISA-N -1 3 384.400 0.895 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1noc2c1COCC2 ZINC001575127948 952061819 /nfs/dbraw/zinc/06/18/19/952061819.db2.gz DPARQBMWZDGDCA-JTQLQIEISA-N -1 3 384.400 0.895 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575128397 952066177 /nfs/dbraw/zinc/06/61/77/952066177.db2.gz HTWHUADJJUWJLT-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575128397 952066183 /nfs/dbraw/zinc/06/61/83/952066183.db2.gz HTWHUADJJUWJLT-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CCn1ccccc1=O ZINC001575128405 952066559 /nfs/dbraw/zinc/06/65/59/952066559.db2.gz HYJXRYWSZFCNFE-ZDUSSCGKSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CCn1ccccc1=O ZINC001575128405 952066569 /nfs/dbraw/zinc/06/65/69/952066569.db2.gz HYJXRYWSZFCNFE-ZDUSSCGKSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575129592 952083275 /nfs/dbraw/zinc/08/32/75/952083275.db2.gz WNPHTCSLEIFGIN-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575129592 952083286 /nfs/dbraw/zinc/08/32/86/952083286.db2.gz WNPHTCSLEIFGIN-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575132795 952097407 /nfs/dbraw/zinc/09/74/07/952097407.db2.gz BEZLVYAOOFEBIN-CABZTGNLSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575132795 952097417 /nfs/dbraw/zinc/09/74/17/952097417.db2.gz BEZLVYAOOFEBIN-CABZTGNLSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575133327 952103622 /nfs/dbraw/zinc/10/36/22/952103622.db2.gz DTXLDKPBTWPSPT-LIBAHTEVSA-N -1 3 387.419 0.824 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575133327 952103628 /nfs/dbraw/zinc/10/36/28/952103628.db2.gz DTXLDKPBTWPSPT-LIBAHTEVSA-N -1 3 387.419 0.824 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575133371 952104356 /nfs/dbraw/zinc/10/43/56/952104356.db2.gz KJVVKIZKVBLVLN-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575134124 952108611 /nfs/dbraw/zinc/10/86/11/952108611.db2.gz MITAWMXKYBSREJ-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575134127 952108675 /nfs/dbraw/zinc/10/86/75/952108675.db2.gz MITAWMXKYBSREJ-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001575134437 952111380 /nfs/dbraw/zinc/11/13/80/952111380.db2.gz IDRSJBOEYWXFRK-FZMZJTMJSA-N -1 3 377.424 0.595 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001575134437 952111382 /nfs/dbraw/zinc/11/13/82/952111382.db2.gz IDRSJBOEYWXFRK-FZMZJTMJSA-N -1 3 377.424 0.595 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575134709 952112981 /nfs/dbraw/zinc/11/29/81/952112981.db2.gz OLJPWPXBRWYFEM-IJLUTSLNSA-N -1 3 382.432 0.453 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575137071 952133892 /nfs/dbraw/zinc/13/38/92/952133892.db2.gz SXESORDUCWOPJL-SJKOYZFVSA-N -1 3 389.391 0.811 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575137071 952133897 /nfs/dbraw/zinc/13/38/97/952133897.db2.gz SXESORDUCWOPJL-SJKOYZFVSA-N -1 3 389.391 0.811 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575137308 952135480 /nfs/dbraw/zinc/13/54/80/952135480.db2.gz WKDGLBMBCFNJGM-MNOVXSKESA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575137308 952135486 /nfs/dbraw/zinc/13/54/86/952135486.db2.gz WKDGLBMBCFNJGM-MNOVXSKESA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575137417 952139164 /nfs/dbraw/zinc/13/91/64/952139164.db2.gz YPNBFWUTRIHURL-GHMZBOCLSA-N -1 3 375.408 0.743 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575137417 952139167 /nfs/dbraw/zinc/13/91/67/952139167.db2.gz YPNBFWUTRIHURL-GHMZBOCLSA-N -1 3 375.408 0.743 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575154500 952225631 /nfs/dbraw/zinc/22/56/31/952225631.db2.gz RSGNKEHQGHZJPP-GHMZBOCLSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575154720 952229211 /nfs/dbraw/zinc/22/92/11/952229211.db2.gz VFAVYJQZWYPLHY-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575154717 952230160 /nfs/dbraw/zinc/23/01/60/952230160.db2.gz VFAVYJQZWYPLHY-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575154740 952231962 /nfs/dbraw/zinc/23/19/62/952231962.db2.gz HPRMFGKJEDXMEX-ZETCQYMHSA-N -1 3 378.347 0.890 20 0 GCADHM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575158323 952270044 /nfs/dbraw/zinc/27/00/44/952270044.db2.gz SYEKOBRDPAWTQS-JTQLQIEISA-N -1 3 386.420 0.279 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CNC(=O)C1CC1 ZINC001575163523 952281010 /nfs/dbraw/zinc/28/10/10/952281010.db2.gz CIMINCKLYRRDCN-SECBINFHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CNC(=O)C1CC1 ZINC001575163523 952281018 /nfs/dbraw/zinc/28/10/18/952281018.db2.gz CIMINCKLYRRDCN-SECBINFHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575163778 952283196 /nfs/dbraw/zinc/28/31/96/952283196.db2.gz GEHUESXSDBOBES-ZJUUUORDSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575163778 952283201 /nfs/dbraw/zinc/28/32/01/952283201.db2.gz GEHUESXSDBOBES-ZJUUUORDSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575163775 952284032 /nfs/dbraw/zinc/28/40/32/952284032.db2.gz GEHUESXSDBOBES-NXEZZACHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575163775 952284036 /nfs/dbraw/zinc/28/40/36/952284036.db2.gz GEHUESXSDBOBES-NXEZZACHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)CNC(=O)C1CC1 ZINC001575164246 952289589 /nfs/dbraw/zinc/28/95/89/952289589.db2.gz CKLKHKMJWACSQV-VIFPVBQESA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)CNC(=O)C1CC1 ZINC001575164246 952289595 /nfs/dbraw/zinc/28/95/95/952289595.db2.gz CKLKHKMJWACSQV-VIFPVBQESA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575164518 952294728 /nfs/dbraw/zinc/29/47/28/952294728.db2.gz MBSTTZISCMSEGM-VIFPVBQESA-N -1 3 387.379 0.067 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575164518 952294733 /nfs/dbraw/zinc/29/47/33/952294733.db2.gz MBSTTZISCMSEGM-VIFPVBQESA-N -1 3 387.379 0.067 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575164516 952295767 /nfs/dbraw/zinc/29/57/67/952295767.db2.gz MBSTTZISCMSEGM-SECBINFHSA-N -1 3 387.379 0.067 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575164516 952295772 /nfs/dbraw/zinc/29/57/72/952295772.db2.gz MBSTTZISCMSEGM-SECBINFHSA-N -1 3 387.379 0.067 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575164686 952296533 /nfs/dbraw/zinc/29/65/33/952296533.db2.gz NAISZJBNIIJWAC-MRVPVSSYSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575164686 952296538 /nfs/dbraw/zinc/29/65/38/952296538.db2.gz NAISZJBNIIJWAC-MRVPVSSYSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575165004 952303101 /nfs/dbraw/zinc/30/31/01/952303101.db2.gz JEPQRTBCABRMCD-JOYOIKCWSA-N -1 3 392.851 0.795 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575165004 952303111 /nfs/dbraw/zinc/30/31/11/952303111.db2.gz JEPQRTBCABRMCD-JOYOIKCWSA-N -1 3 392.851 0.795 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575165613 952312019 /nfs/dbraw/zinc/31/20/19/952312019.db2.gz UHPKCBBNRBBDSF-KRWDZBQOSA-N -1 3 381.400 0.356 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575165613 952312023 /nfs/dbraw/zinc/31/20/23/952312023.db2.gz UHPKCBBNRBBDSF-KRWDZBQOSA-N -1 3 381.400 0.356 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575165611 952312126 /nfs/dbraw/zinc/31/21/26/952312126.db2.gz UGNKEWUXCIIALS-JTQLQIEISA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575165611 952312135 /nfs/dbraw/zinc/31/21/35/952312135.db2.gz UGNKEWUXCIIALS-JTQLQIEISA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575165680 952313924 /nfs/dbraw/zinc/31/39/24/952313924.db2.gz QOVMAZYJZYSYNJ-UWVGGRQHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575165680 952313931 /nfs/dbraw/zinc/31/39/31/952313931.db2.gz QOVMAZYJZYSYNJ-UWVGGRQHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575165682 952314413 /nfs/dbraw/zinc/31/44/13/952314413.db2.gz QOVMAZYJZYSYNJ-VHSXEESVSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575165682 952314421 /nfs/dbraw/zinc/31/44/21/952314421.db2.gz QOVMAZYJZYSYNJ-VHSXEESVSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575166950 952330846 /nfs/dbraw/zinc/33/08/46/952330846.db2.gz AWWKRENOCNJCJO-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575166950 952330851 /nfs/dbraw/zinc/33/08/51/952330851.db2.gz AWWKRENOCNJCJO-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575168354 952343275 /nfs/dbraw/zinc/34/32/75/952343275.db2.gz LZTSHZBQHBDXSF-JQWIXIFHSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575168354 952343279 /nfs/dbraw/zinc/34/32/79/952343279.db2.gz LZTSHZBQHBDXSF-JQWIXIFHSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575168852 952344490 /nfs/dbraw/zinc/34/44/90/952344490.db2.gz OGNSVFYTMAEKAF-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575168852 952344497 /nfs/dbraw/zinc/34/44/97/952344497.db2.gz OGNSVFYTMAEKAF-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001575169746 952350917 /nfs/dbraw/zinc/35/09/17/952350917.db2.gz SJHBCGWKVDIBGR-LLVKDONJSA-N -1 3 381.462 0.344 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001575169746 952350922 /nfs/dbraw/zinc/35/09/22/952350922.db2.gz SJHBCGWKVDIBGR-LLVKDONJSA-N -1 3 381.462 0.344 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575170019 952351890 /nfs/dbraw/zinc/35/18/90/952351890.db2.gz VLWRVDKWLMEKHD-VXGBXAGGSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575170019 952351895 /nfs/dbraw/zinc/35/18/95/952351895.db2.gz VLWRVDKWLMEKHD-VXGBXAGGSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCn1ccccc1=O ZINC001575170257 952354787 /nfs/dbraw/zinc/35/47/87/952354787.db2.gz WXGVQIGLPFZNSA-CYBMUJFWSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCn1ccccc1=O ZINC001575170257 952354789 /nfs/dbraw/zinc/35/47/89/952354789.db2.gz WXGVQIGLPFZNSA-CYBMUJFWSA-N -1 3 382.428 0.773 20 0 GCADHM CC(CO)(CO)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001575177295 952401318 /nfs/dbraw/zinc/40/13/18/952401318.db2.gz LCOIOKVHYDZXCP-UHFFFAOYSA-N -1 3 385.384 0.919 20 0 GCADHM CC(CO)(CO)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001575177295 952401321 /nfs/dbraw/zinc/40/13/21/952401321.db2.gz LCOIOKVHYDZXCP-UHFFFAOYSA-N -1 3 385.384 0.919 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575184748 952423302 /nfs/dbraw/zinc/42/33/02/952423302.db2.gz BLVFYLWYIYQNNK-WDEREUQCSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575184748 952423308 /nfs/dbraw/zinc/42/33/08/952423308.db2.gz BLVFYLWYIYQNNK-WDEREUQCSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575184804 952424408 /nfs/dbraw/zinc/42/44/08/952424408.db2.gz CVHSWCSXSUJGTN-LBPRGKRZSA-N -1 3 392.485 0.190 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575184804 952424413 /nfs/dbraw/zinc/42/44/13/952424413.db2.gz CVHSWCSXSUJGTN-LBPRGKRZSA-N -1 3 392.485 0.190 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575184972 952426290 /nfs/dbraw/zinc/42/62/90/952426290.db2.gz IHDQBSALCUYXTD-TZMCWYRMSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575184972 952426295 /nfs/dbraw/zinc/42/62/95/952426295.db2.gz IHDQBSALCUYXTD-TZMCWYRMSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185174 952428888 /nfs/dbraw/zinc/42/88/88/952428888.db2.gz MEXNJDUVTYKEIJ-ZMLRMANQSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185174 952428890 /nfs/dbraw/zinc/42/88/90/952428890.db2.gz MEXNJDUVTYKEIJ-ZMLRMANQSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001575185196 952430098 /nfs/dbraw/zinc/43/00/98/952430098.db2.gz MUPOBWWXTDWHRX-SNVBAGLBSA-N -1 3 384.437 0.557 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001575185196 952430104 /nfs/dbraw/zinc/43/01/04/952430104.db2.gz MUPOBWWXTDWHRX-SNVBAGLBSA-N -1 3 384.437 0.557 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001575185224 952430635 /nfs/dbraw/zinc/43/06/35/952430635.db2.gz NGKLPTIMJDKGST-SNVBAGLBSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001575185224 952430638 /nfs/dbraw/zinc/43/06/38/952430638.db2.gz NGKLPTIMJDKGST-SNVBAGLBSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575185242 952430714 /nfs/dbraw/zinc/43/07/14/952430714.db2.gz NUDLXIRLBOFPGO-LBPRGKRZSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575185242 952430717 /nfs/dbraw/zinc/43/07/17/952430717.db2.gz NUDLXIRLBOFPGO-LBPRGKRZSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575185674 952435663 /nfs/dbraw/zinc/43/56/63/952435663.db2.gz UMVAXXOMIVFVJX-NXEZZACHSA-N -1 3 384.437 0.603 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575185674 952435665 /nfs/dbraw/zinc/43/56/65/952435665.db2.gz UMVAXXOMIVFVJX-NXEZZACHSA-N -1 3 384.437 0.603 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575189775 952458447 /nfs/dbraw/zinc/45/84/47/952458447.db2.gz QHHLGATYFNJNNC-JSGCOSHPSA-N -1 3 385.428 0.965 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575189775 952458450 /nfs/dbraw/zinc/45/84/50/952458450.db2.gz QHHLGATYFNJNNC-JSGCOSHPSA-N -1 3 385.428 0.965 20 0 GCADHM COCCn1nnnc1NC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571115018 952462839 /nfs/dbraw/zinc/46/28/39/952462839.db2.gz QCKJWIHQYLGAGE-UHFFFAOYSA-N -1 3 375.368 0.555 20 0 GCADHM COCCn1nnnc1NC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571115018 952462844 /nfs/dbraw/zinc/46/28/44/952462844.db2.gz QCKJWIHQYLGAGE-UHFFFAOYSA-N -1 3 375.368 0.555 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575190625 952463900 /nfs/dbraw/zinc/46/39/00/952463900.db2.gz UZONYPISTGXZSU-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575190625 952463905 /nfs/dbraw/zinc/46/39/05/952463905.db2.gz UZONYPISTGXZSU-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575190951 952465323 /nfs/dbraw/zinc/46/53/23/952465323.db2.gz VKPJBFOBOURCQA-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575190951 952465326 /nfs/dbraw/zinc/46/53/26/952465326.db2.gz VKPJBFOBOURCQA-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1nnc2n1CCN(C)C2=O ZINC001575191103 952466507 /nfs/dbraw/zinc/46/65/07/952466507.db2.gz WGUULURUDHOPFD-LLVKDONJSA-N -1 3 395.427 0.039 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1nnc2n1CCN(C)C2=O ZINC001575191103 952466509 /nfs/dbraw/zinc/46/65/09/952466509.db2.gz WGUULURUDHOPFD-LLVKDONJSA-N -1 3 395.427 0.039 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)C1=COCCO1 ZINC001571115652 952468877 /nfs/dbraw/zinc/46/88/77/952468877.db2.gz YXERFTXORAUTHA-SKDRFNHKSA-N -1 3 375.364 0.690 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)C1=COCCO1 ZINC001571115652 952468878 /nfs/dbraw/zinc/46/88/78/952468878.db2.gz YXERFTXORAUTHA-SKDRFNHKSA-N -1 3 375.364 0.690 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575195388 952472261 /nfs/dbraw/zinc/47/22/61/952472261.db2.gz APZURYQUJBWOAG-LBPRGKRZSA-N -1 3 383.412 0.951 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575195388 952472263 /nfs/dbraw/zinc/47/22/63/952472263.db2.gz APZURYQUJBWOAG-LBPRGKRZSA-N -1 3 383.412 0.951 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575195894 952473291 /nfs/dbraw/zinc/47/32/91/952473291.db2.gz CUJZZNFGKLSUMC-VXGBXAGGSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575195894 952473296 /nfs/dbraw/zinc/47/32/96/952473296.db2.gz CUJZZNFGKLSUMC-VXGBXAGGSA-N -1 3 383.412 0.997 20 0 GCADHM CC[C@@H](CN1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2)OC ZINC001571116853 952477767 /nfs/dbraw/zinc/47/77/67/952477767.db2.gz FBBBGUDNFONDEB-ZDUSSCGKSA-N -1 3 375.433 0.147 20 0 GCADHM CC[C@@H](CN1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2)OC ZINC001571116853 952477771 /nfs/dbraw/zinc/47/77/71/952477771.db2.gz FBBBGUDNFONDEB-ZDUSSCGKSA-N -1 3 375.433 0.147 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCCOC1 ZINC001571116822 952477949 /nfs/dbraw/zinc/47/79/49/952477949.db2.gz DEFPGQWMQKKWTR-AAEUAGOBSA-N -1 3 375.408 0.912 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCCOC1 ZINC001571116822 952477952 /nfs/dbraw/zinc/47/79/52/952477952.db2.gz DEFPGQWMQKKWTR-AAEUAGOBSA-N -1 3 375.408 0.912 20 0 GCADHM CS(=O)(=O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001571117168 952479559 /nfs/dbraw/zinc/47/95/59/952479559.db2.gz HSGXGIWDKAOHJS-BYCMXARLSA-N -1 3 375.454 0.863 20 0 GCADHM CS(=O)(=O)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001571117168 952479563 /nfs/dbraw/zinc/47/95/63/952479563.db2.gz HSGXGIWDKAOHJS-BYCMXARLSA-N -1 3 375.454 0.863 20 0 GCADHM O=C(CC1CCOCC1)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571117295 952480360 /nfs/dbraw/zinc/48/03/60/952480360.db2.gz INIMAYNBXSUFQP-CYBMUJFWSA-N -1 3 375.408 0.912 20 0 GCADHM O=C(CC1CCOCC1)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571117295 952480364 /nfs/dbraw/zinc/48/03/64/952480364.db2.gz INIMAYNBXSUFQP-CYBMUJFWSA-N -1 3 375.408 0.912 20 0 GCADHM CSCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571117315 952481005 /nfs/dbraw/zinc/48/10/05/952481005.db2.gz IVMOKFCOHMQMFN-QFYYESIMSA-N -1 3 375.458 0.669 20 0 GCADHM CSCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571117315 952481009 /nfs/dbraw/zinc/48/10/09/952481009.db2.gz IVMOKFCOHMQMFN-QFYYESIMSA-N -1 3 375.458 0.669 20 0 GCADHM CCC1(CC)CNC(=O)[C@H]1NCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC001571117305 952481165 /nfs/dbraw/zinc/48/11/65/952481165.db2.gz IUTIROBTQDAMQQ-CYBMUJFWSA-N -1 3 375.433 0.909 20 0 GCADHM CCC1(CC)CNC(=O)[C@H]1NCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC001571117305 952481167 /nfs/dbraw/zinc/48/11/67/952481167.db2.gz IUTIROBTQDAMQQ-CYBMUJFWSA-N -1 3 375.433 0.909 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)C1(F)CCCC1 ZINC001571117522 952481953 /nfs/dbraw/zinc/48/19/53/952481953.db2.gz MBUUHGLIQMFPON-ZIAGYGMSSA-N -1 3 375.408 0.864 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)C1(F)CCCC1 ZINC001571117522 952481958 /nfs/dbraw/zinc/48/19/58/952481958.db2.gz MBUUHGLIQMFPON-ZIAGYGMSSA-N -1 3 375.408 0.864 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571117612 952482779 /nfs/dbraw/zinc/48/27/79/952482779.db2.gz NUQPHANZDFNBPI-CQSZACIVSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571117612 952482782 /nfs/dbraw/zinc/48/27/82/952482782.db2.gz NUQPHANZDFNBPI-CQSZACIVSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571117599 952482848 /nfs/dbraw/zinc/48/28/48/952482848.db2.gz NSBKEKSHEOGYPS-YPMHNXCESA-N -1 3 375.408 0.864 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571117599 952482851 /nfs/dbraw/zinc/48/28/51/952482851.db2.gz NSBKEKSHEOGYPS-YPMHNXCESA-N -1 3 375.408 0.864 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](F)C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571117768 952484323 /nfs/dbraw/zinc/48/43/23/952484323.db2.gz QLVGGUZADQCRJM-YRRQLQLVSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](F)C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571117768 952484327 /nfs/dbraw/zinc/48/43/27/952484327.db2.gz QLVGGUZADQCRJM-YRRQLQLVSA-N -1 3 375.408 0.958 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2csc(-c3nnn[n-]3)c2)c(=O)[nH]c1=O ZINC001571117822 952484361 /nfs/dbraw/zinc/48/43/61/952484361.db2.gz RAYMJUXETUQQCU-UHFFFAOYSA-N -1 3 375.414 0.876 20 0 GCADHM CSCC(=O)N1CC[C@]2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCC[C@@H]12 ZINC001571117967 952485673 /nfs/dbraw/zinc/48/56/73/952485673.db2.gz RGWSJGUGAQBYHF-MLGOLLRUSA-N -1 3 375.458 0.811 20 0 GCADHM CSCC(=O)N1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC[C@@H]12 ZINC001571117967 952485677 /nfs/dbraw/zinc/48/56/77/952485677.db2.gz RGWSJGUGAQBYHF-MLGOLLRUSA-N -1 3 375.458 0.811 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001571118330 952487241 /nfs/dbraw/zinc/48/72/41/952487241.db2.gz VLZNIJQGXURFLV-KRWDZBQOSA-N -1 3 375.408 0.818 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)C1CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001571118330 952487244 /nfs/dbraw/zinc/48/72/44/952487244.db2.gz VLZNIJQGXURFLV-KRWDZBQOSA-N -1 3 375.408 0.818 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575199159 952487555 /nfs/dbraw/zinc/48/75/55/952487555.db2.gz AHAVLHNIYVCFGR-TZMCWYRMSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575199159 952487557 /nfs/dbraw/zinc/48/75/57/952487557.db2.gz AHAVLHNIYVCFGR-TZMCWYRMSA-N -1 3 381.444 0.569 20 0 GCADHM O=C(NCCN1CCCS1(=O)=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001571118616 952488288 /nfs/dbraw/zinc/48/82/88/952488288.db2.gz XQBICLXNJJSCLK-UHFFFAOYSA-N -1 3 375.414 0.113 20 0 GCADHM O=C(N[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](F)C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571118742 952489671 /nfs/dbraw/zinc/48/96/71/952489671.db2.gz ZPSGEEXFLYSJRY-YFKTTZPYSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(N[C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H](F)C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571118742 952489676 /nfs/dbraw/zinc/48/96/76/952489676.db2.gz ZPSGEEXFLYSJRY-YFKTTZPYSA-N -1 3 375.408 0.958 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575199748 952491009 /nfs/dbraw/zinc/49/10/09/952491009.db2.gz FEPFOKWRWFIXSI-DGCLKSJQSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575199748 952491014 /nfs/dbraw/zinc/49/10/14/952491014.db2.gz FEPFOKWRWFIXSI-DGCLKSJQSA-N -1 3 382.432 0.344 20 0 GCADHM COC(=O)[C@]1(OC)CCN(C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001571119538 952492212 /nfs/dbraw/zinc/49/22/12/952492212.db2.gz CFQQULAAAKMOJZ-INIZCTEOSA-N -1 3 376.373 0.671 20 0 GCADHM COC(=O)[C@]1(OC)CCN(C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001571119538 952492218 /nfs/dbraw/zinc/49/22/18/952492218.db2.gz CFQQULAAAKMOJZ-INIZCTEOSA-N -1 3 376.373 0.671 20 0 GCADHM O=C(NCC1CN(CCn2cc(Cl)cn2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571119474 952492937 /nfs/dbraw/zinc/49/29/37/952492937.db2.gz BNBGLVLEVBTDPP-UHFFFAOYSA-N -1 3 375.824 0.407 20 0 GCADHM O=C(NCC1CN(CCn2cc(Cl)cn2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571119474 952492940 /nfs/dbraw/zinc/49/29/40/952492940.db2.gz BNBGLVLEVBTDPP-UHFFFAOYSA-N -1 3 375.824 0.407 20 0 GCADHM O=C(N[C@H](CO)[C@@H](O)c1ccccn1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571119628 952494078 /nfs/dbraw/zinc/49/40/78/952494078.db2.gz DKCWLAYXEWUQLD-YPMHNXCESA-N -1 3 375.776 0.134 20 0 GCADHM O=C(N[C@H](CO)[C@@H](O)c1ccccn1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571119628 952494085 /nfs/dbraw/zinc/49/40/85/952494085.db2.gz DKCWLAYXEWUQLD-YPMHNXCESA-N -1 3 375.776 0.134 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200239 952494275 /nfs/dbraw/zinc/49/42/75/952494275.db2.gz BFBYJRRNZUUNTG-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM O=C(N[C@@H](CO)[C@H](O)c1ccccn1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571119626 952494336 /nfs/dbraw/zinc/49/43/36/952494336.db2.gz DKCWLAYXEWUQLD-WCQYABFASA-N -1 3 375.776 0.134 20 0 GCADHM O=C(N[C@@H](CO)[C@H](O)c1ccccn1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571119626 952494341 /nfs/dbraw/zinc/49/43/41/952494341.db2.gz DKCWLAYXEWUQLD-WCQYABFASA-N -1 3 375.776 0.134 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](CO)C[C@@H]2CCCO2)cc1-c1nnn[n-]1 ZINC001571119749 952494381 /nfs/dbraw/zinc/49/43/81/952494381.db2.gz FJZJSNCCNLZKPP-OLZOCXBDSA-N -1 3 376.417 0.605 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](CO)C[C@@H]2CCCO2)cc1-c1nn[n-]n1 ZINC001571119749 952494387 /nfs/dbraw/zinc/49/43/87/952494387.db2.gz FJZJSNCCNLZKPP-OLZOCXBDSA-N -1 3 376.417 0.605 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001575200670 952498403 /nfs/dbraw/zinc/49/84/03/952498403.db2.gz KETFGPKACLFKGM-NQBHXWOUSA-N -1 3 382.432 0.200 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575200670 952498407 /nfs/dbraw/zinc/49/84/07/952498407.db2.gz KETFGPKACLFKGM-NQBHXWOUSA-N -1 3 382.432 0.200 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200752 952499827 /nfs/dbraw/zinc/49/98/27/952499827.db2.gz LHAQRMITHHOPPS-VXGBXAGGSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200752 952499829 /nfs/dbraw/zinc/49/98/29/952499829.db2.gz LHAQRMITHHOPPS-VXGBXAGGSA-N -1 3 382.432 0.344 20 0 GCADHM COc1cccc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)c1OC ZINC001571120154 952500380 /nfs/dbraw/zinc/50/03/80/952500380.db2.gz KCQFIUJNYUCRSD-UHFFFAOYSA-N -1 3 376.398 0.757 20 0 GCADHM COc1cccc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)c1OC ZINC001571120154 952500385 /nfs/dbraw/zinc/50/03/85/952500385.db2.gz KCQFIUJNYUCRSD-UHFFFAOYSA-N -1 3 376.398 0.757 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575201172 952501999 /nfs/dbraw/zinc/50/19/99/952501999.db2.gz NURIRPWVOHDSKT-AAEUAGOBSA-N -1 3 384.448 0.233 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575201172 952502004 /nfs/dbraw/zinc/50/20/04/952502004.db2.gz NURIRPWVOHDSKT-AAEUAGOBSA-N -1 3 384.448 0.233 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575201224 952502402 /nfs/dbraw/zinc/50/24/02/952502402.db2.gz OGFGMQUQZVXUPN-IINYFYTJSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575201451 952503133 /nfs/dbraw/zinc/50/31/33/952503133.db2.gz PIZALQUCJWBGSZ-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575201451 952503137 /nfs/dbraw/zinc/50/31/37/952503137.db2.gz PIZALQUCJWBGSZ-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575202190 952511278 /nfs/dbraw/zinc/51/12/78/952511278.db2.gz SWNHNBDLMZHVIC-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575202528 952513421 /nfs/dbraw/zinc/51/34/21/952513421.db2.gz OXZUDDWONXEOQM-HZMBPMFUSA-N -1 3 382.432 0.565 20 0 GCADHM O=C(N[C@H]1CCN(CCn2cc(Cl)cn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571121148 952515682 /nfs/dbraw/zinc/51/56/82/952515682.db2.gz XBHCKEPUZBAMQS-NSHDSACASA-N -1 3 375.824 0.549 20 0 GCADHM COc1ccc(OC)c(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001571121190 952516264 /nfs/dbraw/zinc/51/62/64/952516264.db2.gz XOKOXKPRGLNPAC-UHFFFAOYSA-N -1 3 376.398 0.757 20 0 GCADHM COc1ccc(OC)c(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001571121190 952516268 /nfs/dbraw/zinc/51/62/68/952516268.db2.gz XOKOXKPRGLNPAC-UHFFFAOYSA-N -1 3 376.398 0.757 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575202687 952516271 /nfs/dbraw/zinc/51/62/71/952516271.db2.gz XKMXTXUMURAWRC-QWHCGFSZSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575202687 952516275 /nfs/dbraw/zinc/51/62/75/952516275.db2.gz XKMXTXUMURAWRC-QWHCGFSZSA-N -1 3 383.460 0.815 20 0 GCADHM Cc1nonc1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571121216 952517475 /nfs/dbraw/zinc/51/74/75/952517475.db2.gz YJNMFLBMFQXHRL-KYZUINATSA-N -1 3 375.780 0.979 20 0 GCADHM 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378.383 0.935 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001575212602 952554898 /nfs/dbraw/zinc/55/48/98/952554898.db2.gz LJEAFONOJNBBTR-KOLCDFICSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001575212602 952554904 /nfs/dbraw/zinc/55/49/04/952554904.db2.gz LJEAFONOJNBBTR-KOLCDFICSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001575212858 952555316 /nfs/dbraw/zinc/55/53/16/952555316.db2.gz MRYYFZRTCCIEAK-UHFFFAOYSA-N -1 3 384.412 0.997 20 0 GCADHM Cc1nc(N2C[C@@H]3[C@@H](CNC(=O)c4ncccn4)[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001571127524 952556397 /nfs/dbraw/zinc/55/63/97/952556397.db2.gz LOCYVEBWOCQMNJ-ZSOGYDGISA-N -1 3 377.412 0.472 20 0 GCADHM Cc1nc(N2C[C@@H]3[C@@H](CNC(=O)c4ncccn4)[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001571127524 952556405 /nfs/dbraw/zinc/55/64/05/952556405.db2.gz LOCYVEBWOCQMNJ-ZSOGYDGISA-N -1 3 377.412 0.472 20 0 GCADHM 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NC(=O)c1cccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001571129941 952577625 /nfs/dbraw/zinc/57/76/25/952577625.db2.gz LREAKLQCELVUMX-UHFFFAOYSA-N -1 3 378.396 0.323 20 0 GCADHM Cn1cnnc1[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001571130052 952578553 /nfs/dbraw/zinc/57/85/53/952578553.db2.gz OIOTWNILKXSJMC-SECBINFHSA-N -1 3 378.393 0.313 20 0 GCADHM O=C(N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1)[C@]1(F)CCOC1 ZINC001571130563 952580470 /nfs/dbraw/zinc/58/04/70/952580470.db2.gz TVMYSMUAUVCVEV-KRWDZBQOSA-N -1 3 378.383 0.779 20 0 GCADHM O=C(N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1)[C@]1(F)CCOC1 ZINC001571130563 952580477 /nfs/dbraw/zinc/58/04/77/952580477.db2.gz TVMYSMUAUVCVEV-KRWDZBQOSA-N -1 3 378.383 0.779 20 0 GCADHM COc1ccc(F)cc1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571130766 952582704 /nfs/dbraw/zinc/58/27/04/952582704.db2.gz WZAYFRHDVSCAGH-UHFFFAOYSA-N -1 3 378.389 0.930 20 0 GCADHM COc1ccc(F)cc1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571130766 952582708 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Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 ZINC001571140557 952627536 /nfs/dbraw/zinc/62/75/36/952627536.db2.gz CUSLQIORHMHIER-WCQYABFASA-N -1 3 378.458 0.671 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 ZINC001571140557 952627539 /nfs/dbraw/zinc/62/75/39/952627539.db2.gz CUSLQIORHMHIER-WCQYABFASA-N -1 3 378.458 0.671 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)c1-c1nnn[n-]1 ZINC001571141365 952634116 /nfs/dbraw/zinc/63/41/16/952634116.db2.gz XVTHLVNCMNGAJB-PHDIDXHHSA-N -1 3 379.324 0.060 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2cncn2C)ccc1-c1nnn[n-]1 ZINC001571146537 952649143 /nfs/dbraw/zinc/64/91/43/952649143.db2.gz IBYLLKPRGXYBDG-KBPBESRZSA-N -1 3 379.428 0.336 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2cncn2C)ccc1-c1nn[n-]n1 ZINC001571146537 952649146 /nfs/dbraw/zinc/64/91/46/952649146.db2.gz IBYLLKPRGXYBDG-KBPBESRZSA-N -1 3 379.428 0.336 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)[C@H]1CCn2ccnc2C1 ZINC001571146583 952650130 /nfs/dbraw/zinc/65/01/30/952650130.db2.gz JEFDJVJFYNKXSF-QWHCGFSZSA-N -1 3 379.428 0.416 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)[C@H]1CCn2ccnc2C1 ZINC001571146583 952650134 /nfs/dbraw/zinc/65/01/34/952650134.db2.gz JEFDJVJFYNKXSF-QWHCGFSZSA-N -1 3 379.428 0.416 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571146851 952652854 /nfs/dbraw/zinc/65/28/54/952652854.db2.gz NZIQDKCOAHLJAS-HALDLXJZSA-N -1 3 379.428 0.395 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571146851 952652858 /nfs/dbraw/zinc/65/28/58/952652858.db2.gz NZIQDKCOAHLJAS-HALDLXJZSA-N -1 3 379.428 0.395 20 0 GCADHM CCc1c(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)cnn1C ZINC001571146934 952654075 /nfs/dbraw/zinc/65/40/75/952654075.db2.gz DFHSAYANDNYVDX-VIKVFOODSA-N -1 3 379.428 0.422 20 0 GCADHM CCc1c(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)cnn1C ZINC001571146934 952654081 /nfs/dbraw/zinc/65/40/81/952654081.db2.gz DFHSAYANDNYVDX-VIKVFOODSA-N -1 3 379.428 0.422 20 0 GCADHM CCCc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)[nH]n1 ZINC001571146988 952655447 /nfs/dbraw/zinc/65/54/47/952655447.db2.gz FQOFSMBZVZMRMM-VIKVFOODSA-N -1 3 379.428 0.802 20 0 GCADHM CCCc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)[nH]n1 ZINC001571146988 952655451 /nfs/dbraw/zinc/65/54/51/952655451.db2.gz FQOFSMBZVZMRMM-VIKVFOODSA-N -1 3 379.428 0.802 20 0 GCADHM O=C(NC1CCN(c2ncnc3c2CCC3)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571147021 952655491 /nfs/dbraw/zinc/65/54/91/952655491.db2.gz QFUQYOZRBPIIOJ-UHFFFAOYSA-N -1 3 379.428 0.872 20 0 GCADHM O=C(NC1CCN(c2ncnc3c2CCC3)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571147021 952655498 /nfs/dbraw/zinc/65/54/98/952655498.db2.gz QFUQYOZRBPIIOJ-UHFFFAOYSA-N -1 3 379.428 0.872 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1)n1ccnc1 ZINC001571147121 952657310 /nfs/dbraw/zinc/65/73/10/952657310.db2.gz GTLHAPLQHXGKHF-IHRRRGAJSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1)n1ccnc1 ZINC001571147121 952657319 /nfs/dbraw/zinc/65/73/19/952657319.db2.gz GTLHAPLQHXGKHF-IHRRRGAJSA-N -1 3 379.428 0.899 20 0 GCADHM CCCn1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571147325 952659966 /nfs/dbraw/zinc/65/99/66/952659966.db2.gz JORKKVFKZRKRBD-KBPBESRZSA-N -1 3 379.428 0.972 20 0 GCADHM CCCn1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571147325 952659971 /nfs/dbraw/zinc/65/99/71/952659971.db2.gz JORKKVFKZRKRBD-KBPBESRZSA-N -1 3 379.428 0.972 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571147599 952663330 /nfs/dbraw/zinc/66/33/30/952663330.db2.gz OVYABECORWDMCB-TZMCWYRMSA-N -1 3 379.428 0.943 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2ncccn2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571147599 952663334 /nfs/dbraw/zinc/66/33/34/952663334.db2.gz OVYABECORWDMCB-TZMCWYRMSA-N -1 3 379.428 0.943 20 0 GCADHM CN(C)c1ncccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571148207 952665490 /nfs/dbraw/zinc/66/54/90/952665490.db2.gz VKSOHBOFKMZXCY-CYBMUJFWSA-N -1 3 379.428 0.731 20 0 GCADHM CN(C)c1ncccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571148207 952665495 /nfs/dbraw/zinc/66/54/95/952665495.db2.gz VKSOHBOFKMZXCY-CYBMUJFWSA-N -1 3 379.428 0.731 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571148305 952666174 /nfs/dbraw/zinc/66/61/74/952666174.db2.gz YFEMJLBBBRVEGX-MLGOLLRUSA-N -1 3 379.428 0.943 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571148305 952666178 /nfs/dbraw/zinc/66/61/78/952666178.db2.gz YFEMJLBBBRVEGX-MLGOLLRUSA-N -1 3 379.428 0.943 20 0 GCADHM O=C(C1=C2CCCN=C2NN1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001571150465 952668113 /nfs/dbraw/zinc/66/81/13/952668113.db2.gz BCXUWWJQAWEVBP-UHFFFAOYSA-N -1 3 379.428 0.070 20 0 GCADHM O=C(C1=C2CCCN=C2NN1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001571150465 952668116 /nfs/dbraw/zinc/66/81/16/952668116.db2.gz BCXUWWJQAWEVBP-UHFFFAOYSA-N -1 3 379.428 0.070 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001571151012 952671816 /nfs/dbraw/zinc/67/18/16/952671816.db2.gz IUCJAPMZHCZRAE-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001571151012 952671819 /nfs/dbraw/zinc/67/18/19/952671819.db2.gz IUCJAPMZHCZRAE-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM Cc1nsc(N2CC[C@@](C)(NC(=O)[C@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571151768 952679580 /nfs/dbraw/zinc/67/95/80/952679580.db2.gz WYVZDVSJQDZPJX-MEBBXXQBSA-N -1 3 379.446 0.132 20 0 GCADHM NC(=O)N1CC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001571152035 952680961 /nfs/dbraw/zinc/68/09/61/952680961.db2.gz BMVSFINTBAZKDX-ZETCQYMHSA-N -1 3 380.206 0.512 20 0 GCADHM NC(=O)N1CC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001571152035 952680963 /nfs/dbraw/zinc/68/09/63/952680963.db2.gz BMVSFINTBAZKDX-ZETCQYMHSA-N -1 3 380.206 0.512 20 0 GCADHM COC(=O)c1ccc(NC(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)nn1 ZINC001571152619 952683294 /nfs/dbraw/zinc/68/32/94/952683294.db2.gz HQJLFGDWXZWDBR-LBPRGKRZSA-N -1 3 380.368 0.732 20 0 GCADHM COC(=O)c1ccc(NC(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)nn1 ZINC001571152619 952683296 /nfs/dbraw/zinc/68/32/96/952683296.db2.gz HQJLFGDWXZWDBR-LBPRGKRZSA-N -1 3 380.368 0.732 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1NC(=O)c1cnc2c(c1)NC(=O)CN2C ZINC001571152643 952683493 /nfs/dbraw/zinc/68/34/93/952683493.db2.gz IYUONPIJKYQURC-UHFFFAOYSA-N -1 3 380.368 0.911 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1NC(=O)c1cnc2c(c1)NC(=O)CN2C ZINC001571152643 952683495 /nfs/dbraw/zinc/68/34/95/952683495.db2.gz IYUONPIJKYQURC-UHFFFAOYSA-N -1 3 380.368 0.911 20 0 GCADHM O=C(N[C@H]1CCN(Cc2nnsc2Cl)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571152899 952684240 /nfs/dbraw/zinc/68/42/40/952684240.db2.gz KOPCEMQAQXFNNE-ZETCQYMHSA-N -1 3 379.837 0.704 20 0 GCADHM O=C(N[C@H]1CCN(Cc2nnsc2Cl)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571152899 952684243 /nfs/dbraw/zinc/68/42/43/952684243.db2.gz KOPCEMQAQXFNNE-ZETCQYMHSA-N -1 3 379.837 0.704 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1Cl)N1CC[C@H](O)C(F)(F)C1 ZINC001571153558 952686050 /nfs/dbraw/zinc/68/60/50/952686050.db2.gz QPYJHVRNXWXWNM-VIFPVBQESA-N -1 3 379.776 0.911 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1Cl)N1CC[C@H](O)C(F)(F)C1 ZINC001571153558 952686051 /nfs/dbraw/zinc/68/60/51/952686051.db2.gz QPYJHVRNXWXWNM-VIFPVBQESA-N -1 3 379.776 0.911 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1Cl)N1CC[C@@H](O)C(F)(F)C1 ZINC001571153548 952686396 /nfs/dbraw/zinc/68/63/96/952686396.db2.gz QPYJHVRNXWXWNM-SECBINFHSA-N -1 3 379.776 0.911 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1Cl)N1CC[C@@H](O)C(F)(F)C1 ZINC001571153548 952686398 /nfs/dbraw/zinc/68/63/98/952686398.db2.gz QPYJHVRNXWXWNM-SECBINFHSA-N -1 3 379.776 0.911 20 0 GCADHM CCc1c[nH]c(=O)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC001571154822 952690769 /nfs/dbraw/zinc/69/07/69/952690769.db2.gz BWNWKYJNNMLLGB-GFCCVEGCSA-N -1 3 380.412 0.933 20 0 GCADHM CCc1c[nH]c(=O)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC001571154822 952690772 /nfs/dbraw/zinc/69/07/72/952690772.db2.gz BWNWKYJNNMLLGB-GFCCVEGCSA-N -1 3 380.412 0.933 20 0 GCADHM COc1cccc(C(=O)NCC(=O)NCCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001571155057 952691361 /nfs/dbraw/zinc/69/13/61/952691361.db2.gz FXCOTKJVOUOPHX-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM COc1cccc(C(=O)NCC(=O)NCCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001571155057 952691365 /nfs/dbraw/zinc/69/13/65/952691365.db2.gz FXCOTKJVOUOPHX-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001571155026 952691662 /nfs/dbraw/zinc/69/16/62/952691662.db2.gz DXONTSOUKYMIPK-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001571155026 952691668 /nfs/dbraw/zinc/69/16/68/952691668.db2.gz DXONTSOUKYMIPK-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)Cc1cccnc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571155099 952692106 /nfs/dbraw/zinc/69/21/06/952692106.db2.gz HTVZYVRIPLILTQ-ZDUSSCGKSA-N -1 3 380.412 0.505 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)Cc1cccnc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571155099 952692108 /nfs/dbraw/zinc/69/21/08/952692108.db2.gz HTVZYVRIPLILTQ-ZDUSSCGKSA-N -1 3 380.412 0.505 20 0 GCADHM CCc1[nH]ccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571155751 952699535 /nfs/dbraw/zinc/69/95/35/952699535.db2.gz ZCFMPKGIPCYPMA-HBYGRHMLSA-N -1 3 380.412 0.586 20 0 GCADHM CCc1[nH]ccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571155751 952699538 /nfs/dbraw/zinc/69/95/38/952699538.db2.gz ZCFMPKGIPCYPMA-HBYGRHMLSA-N -1 3 380.412 0.586 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)ccc1=O ZINC001571155745 952700061 /nfs/dbraw/zinc/70/00/61/952700061.db2.gz YUQMRHNAIKJDRC-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001571155745 952700063 /nfs/dbraw/zinc/70/00/63/952700063.db2.gz YUQMRHNAIKJDRC-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM Cc1cc[nH]c1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571157916 952707924 /nfs/dbraw/zinc/70/79/24/952707924.db2.gz CLNUECWVRGGQCQ-BXUZGUMPSA-N -1 3 380.412 0.818 20 0 GCADHM Cc1cc[nH]c1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571157916 952707926 /nfs/dbraw/zinc/70/79/26/952707926.db2.gz CLNUECWVRGGQCQ-BXUZGUMPSA-N -1 3 380.412 0.818 20 0 GCADHM Cc1cccnc1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571158514 952712873 /nfs/dbraw/zinc/71/28/73/952712873.db2.gz KDMVMKKVKSGQDG-AULYBMBSSA-N -1 3 380.412 0.837 20 0 GCADHM Cc1cccnc1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571158514 952712877 /nfs/dbraw/zinc/71/28/77/952712877.db2.gz KDMVMKKVKSGQDG-AULYBMBSSA-N -1 3 380.412 0.837 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001571158680 952713430 /nfs/dbraw/zinc/71/34/30/952713430.db2.gz MEWVNJVGPKFUOD-SFHVURJKSA-N -1 3 380.412 0.657 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571158680 952713434 /nfs/dbraw/zinc/71/34/34/952713434.db2.gz MEWVNJVGPKFUOD-SFHVURJKSA-N -1 3 380.412 0.657 20 0 GCADHM Cc1cc(N[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158655 952713789 /nfs/dbraw/zinc/71/37/89/952713789.db2.gz LPYIJDGZDQYXHZ-LBPRGKRZSA-N -1 3 380.412 0.809 20 0 GCADHM Cc1cc(NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158697 952713927 /nfs/dbraw/zinc/71/39/27/952713927.db2.gz MSYQRJIOGSQFQK-GFCCVEGCSA-N -1 3 380.412 0.667 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC001571158709 952713950 /nfs/dbraw/zinc/71/39/50/952713950.db2.gz NDAJTDHRHUEEST-ZDUSSCGKSA-N -1 3 380.412 0.595 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)n1 ZINC001571158709 952713951 /nfs/dbraw/zinc/71/39/51/952713951.db2.gz NDAJTDHRHUEEST-ZDUSSCGKSA-N -1 3 380.412 0.595 20 0 GCADHM Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)cc1-c1nnn[n-]1 ZINC001571159232 952716885 /nfs/dbraw/zinc/71/68/85/952716885.db2.gz REBFBZLRNPBBMU-ZFWWWQNUSA-N -1 3 380.412 0.221 20 0 GCADHM Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)cc1-c1nn[n-]n1 ZINC001571159232 952716889 /nfs/dbraw/zinc/71/68/89/952716889.db2.gz REBFBZLRNPBBMU-ZFWWWQNUSA-N -1 3 380.412 0.221 20 0 GCADHM COc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)ccn1 ZINC001571159243 952717674 /nfs/dbraw/zinc/71/76/74/952717674.db2.gz RIHVAKNRRUTRRL-KBPBESRZSA-N -1 3 380.412 0.697 20 0 GCADHM COc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)ccn1 ZINC001571159243 952717679 /nfs/dbraw/zinc/71/76/79/952717679.db2.gz RIHVAKNRRUTRRL-KBPBESRZSA-N -1 3 380.412 0.697 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1CNC(=O)c1ccccc1O ZINC001571159341 952718359 /nfs/dbraw/zinc/71/83/59/952718359.db2.gz UVMACZUQLGVQMJ-VXGBXAGGSA-N -1 3 380.412 0.865 20 0 GCADHM Cc1ccncc1CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571160289 952725137 /nfs/dbraw/zinc/72/51/37/952725137.db2.gz GRBFSPHDJJCEHJ-HDJSIYSDSA-N -1 3 380.412 0.518 20 0 GCADHM Cc1ccncc1CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571160289 952725141 /nfs/dbraw/zinc/72/51/41/952725141.db2.gz GRBFSPHDJJCEHJ-HDJSIYSDSA-N -1 3 380.412 0.518 20 0 GCADHM Cn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571160605 952727767 /nfs/dbraw/zinc/72/77/67/952727767.db2.gz JVYRLPPIRAMMDB-BZPMIXESSA-N -1 3 380.412 0.709 20 0 GCADHM Cn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571160605 952727773 /nfs/dbraw/zinc/72/77/73/952727773.db2.gz JVYRLPPIRAMMDB-BZPMIXESSA-N -1 3 380.412 0.709 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571160861 952728584 /nfs/dbraw/zinc/72/85/84/952728584.db2.gz NNGLMSMKGKUZEF-HAQNSBGRSA-N -1 3 380.412 0.702 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571160861 952728587 /nfs/dbraw/zinc/72/85/87/952728587.db2.gz NNGLMSMKGKUZEF-HAQNSBGRSA-N -1 3 380.412 0.702 20 0 GCADHM O=C(Cn1ccccc1=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571160850 952728742 /nfs/dbraw/zinc/72/87/42/952728742.db2.gz NBLJYGOGGQOTAP-UHFFFAOYSA-N -1 3 380.412 0.430 20 0 GCADHM O=C(Cn1ccccc1=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571160850 952728748 /nfs/dbraw/zinc/72/87/48/952728748.db2.gz NBLJYGOGGQOTAP-UHFFFAOYSA-N -1 3 380.412 0.430 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1cccc(-c2nnn[n-]2)c1)c1cnccn1 ZINC001571161029 952729200 /nfs/dbraw/zinc/72/92/00/952729200.db2.gz OZJRMHHJKFCOIW-HNNXBMFYSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1cccc(-c2nn[n-]n2)c1)c1cnccn1 ZINC001571161029 952729203 /nfs/dbraw/zinc/72/92/03/952729203.db2.gz OZJRMHHJKFCOIW-HNNXBMFYSA-N -1 3 380.412 0.288 20 0 GCADHM Cc1ccncc1C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571160992 952730074 /nfs/dbraw/zinc/73/00/74/952730074.db2.gz OIMPRVHAWCRNPC-UHFFFAOYSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1ccncc1C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571160992 952730077 /nfs/dbraw/zinc/73/00/77/952730077.db2.gz OIMPRVHAWCRNPC-UHFFFAOYSA-N -1 3 380.412 0.933 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)cc1=O ZINC001571161076 952731251 /nfs/dbraw/zinc/73/12/51/952731251.db2.gz QBWQMKXCLTVFJR-GFCCVEGCSA-N -1 3 380.412 0.217 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)cc1=O ZINC001571161076 952731253 /nfs/dbraw/zinc/73/12/53/952731253.db2.gz QBWQMKXCLTVFJR-GFCCVEGCSA-N -1 3 380.412 0.217 20 0 GCADHM Cc1ncccc1CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161389 952731855 /nfs/dbraw/zinc/73/18/55/952731855.db2.gz UIJRBUAXLXMMFG-CYBMUJFWSA-N -1 3 380.412 0.472 20 0 GCADHM Cc1ncccc1CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161389 952731857 /nfs/dbraw/zinc/73/18/57/952731857.db2.gz UIJRBUAXLXMMFG-CYBMUJFWSA-N -1 3 380.412 0.472 20 0 GCADHM O=C(NC1CN(Cc2ccccc2-c2nnn[n-]2)C1)c1cnn2c1OCCC2 ZINC001571161276 952731868 /nfs/dbraw/zinc/73/18/68/952731868.db2.gz UCUITSUEWPDKRW-UHFFFAOYSA-N -1 3 380.412 0.460 20 0 GCADHM O=C(NC1CN(Cc2ccccc2-c2nn[n-]n2)C1)c1cnn2c1OCCC2 ZINC001571161276 952731874 /nfs/dbraw/zinc/73/18/74/952731874.db2.gz UCUITSUEWPDKRW-UHFFFAOYSA-N -1 3 380.412 0.460 20 0 GCADHM Cn1cccc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)c1=O ZINC001571161588 952732842 /nfs/dbraw/zinc/73/28/42/952732842.db2.gz XIQRHRGTVYYMCP-GFCCVEGCSA-N -1 3 380.412 0.677 20 0 GCADHM Cn1cccc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)c1=O ZINC001571161588 952732847 /nfs/dbraw/zinc/73/28/47/952732847.db2.gz XIQRHRGTVYYMCP-GFCCVEGCSA-N -1 3 380.412 0.677 20 0 GCADHM Cc1ccncc1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571161417 952733088 /nfs/dbraw/zinc/73/30/88/952733088.db2.gz VGUGHTLFOBGZLI-AULYBMBSSA-N -1 3 380.412 0.837 20 0 GCADHM Cc1ccncc1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571161417 952733089 /nfs/dbraw/zinc/73/30/89/952733089.db2.gz VGUGHTLFOBGZLI-AULYBMBSSA-N -1 3 380.412 0.837 20 0 GCADHM Cc1ccncc1C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1 ZINC001571161621 952734131 /nfs/dbraw/zinc/73/41/31/952734131.db2.gz YYCOUYMFLMVEGO-ZDUSSCGKSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1ccncc1C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1 ZINC001571161621 952734134 /nfs/dbraw/zinc/73/41/34/952734134.db2.gz YYCOUYMFLMVEGO-ZDUSSCGKSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)n1 ZINC001571161919 952736475 /nfs/dbraw/zinc/73/64/75/952736475.db2.gz FBOKQKKVRZZZPC-QJPTWQEYSA-N -1 3 380.416 0.505 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)n1 ZINC001571161919 952736478 /nfs/dbraw/zinc/73/64/78/952736478.db2.gz FBOKQKKVRZZZPC-QJPTWQEYSA-N -1 3 380.416 0.505 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H]3CN(C(=O)c4nc[nH]n4)CC[C@H]32)n1 ZINC001571162262 952740575 /nfs/dbraw/zinc/74/05/75/952740575.db2.gz OZPFQPRCQZTMRU-DGCLKSJQSA-N -1 3 380.416 0.429 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H]3CN(C(=O)c4nc[nH]n4)CC[C@H]32)n1 ZINC001571162263 952740608 /nfs/dbraw/zinc/74/06/08/952740608.db2.gz OZPFQPRCQZTMRU-WCQYABFASA-N -1 3 380.416 0.429 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1NC(=O)c1nccnc1N ZINC001571162458 952743889 /nfs/dbraw/zinc/74/38/89/952743889.db2.gz USFKYJKFWHLESB-LBPRGKRZSA-N -1 3 380.416 0.279 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1NC(=O)c1nccnc1N ZINC001571162458 952743895 /nfs/dbraw/zinc/74/38/95/952743895.db2.gz USFKYJKFWHLESB-LBPRGKRZSA-N -1 3 380.416 0.279 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)c3nccnc3N)[C@H]2C)ccc1-c1nnn[n-]1 ZINC001571165136 952747576 /nfs/dbraw/zinc/74/75/76/952747576.db2.gz CQQFGCMNJWQUEF-JQWIXIFHSA-N -1 3 380.416 0.657 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)c3nccnc3N)[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571165136 952747580 /nfs/dbraw/zinc/74/75/80/952747580.db2.gz CQQFGCMNJWQUEF-JQWIXIFHSA-N -1 3 380.416 0.657 20 0 GCADHM Nc1nccnc1C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165040 952747784 /nfs/dbraw/zinc/74/77/84/952747784.db2.gz BNDDKZBUAHWSHL-LLVKDONJSA-N -1 3 380.416 0.598 20 0 GCADHM Nc1nccnc1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165040 952747785 /nfs/dbraw/zinc/74/77/85/952747785.db2.gz BNDDKZBUAHWSHL-LLVKDONJSA-N -1 3 380.416 0.598 20 0 GCADHM O=C(NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571165149 952748226 /nfs/dbraw/zinc/74/82/26/952748226.db2.gz DFQIOBACROXLOE-VXGBXAGGSA-N -1 3 380.416 0.269 20 0 GCADHM O=C(NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571165149 952748231 /nfs/dbraw/zinc/74/82/31/952748231.db2.gz DFQIOBACROXLOE-VXGBXAGGSA-N -1 3 380.416 0.269 20 0 GCADHM Cn1nncc1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571165462 952750515 /nfs/dbraw/zinc/75/05/15/952750515.db2.gz HGQWTUUAPOFEEU-UHFFFAOYSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1nncc1C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571165462 952750522 /nfs/dbraw/zinc/75/05/22/952750522.db2.gz HGQWTUUAPOFEEU-UHFFFAOYSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001571165477 952750806 /nfs/dbraw/zinc/75/08/06/952750806.db2.gz HUNHOGXFUCRVQR-STQMWFEESA-N -1 3 380.416 0.543 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001571165477 952750812 /nfs/dbraw/zinc/75/08/12/952750812.db2.gz HUNHOGXFUCRVQR-STQMWFEESA-N -1 3 380.416 0.543 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571165489 952751715 /nfs/dbraw/zinc/75/17/15/952751715.db2.gz HYELSBKIFZBCTL-KGLIPLIRSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571165489 952751716 /nfs/dbraw/zinc/75/17/16/952751716.db2.gz HYELSBKIFZBCTL-KGLIPLIRSA-N -1 3 380.416 0.192 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)CCCCCC1 ZINC001571165548 952751812 /nfs/dbraw/zinc/75/18/12/952751812.db2.gz DGPGFJCWYBTUAR-UHFFFAOYSA-N -1 3 380.430 0.806 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)CCCCCC1 ZINC001571165548 952751814 /nfs/dbraw/zinc/75/18/14/952751814.db2.gz DGPGFJCWYBTUAR-UHFFFAOYSA-N -1 3 380.430 0.806 20 0 GCADHM O=C([C@H]1CCCc2nn[nH]c21)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165785 952754532 /nfs/dbraw/zinc/75/45/32/952754532.db2.gz KOMBKNIGSBETFF-RYUDHWBXSA-N -1 3 380.416 0.513 20 0 GCADHM O=C([C@H]1CCCc2nn[nH]c21)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165785 952754534 /nfs/dbraw/zinc/75/45/34/952754534.db2.gz KOMBKNIGSBETFF-RYUDHWBXSA-N -1 3 380.416 0.513 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC001571165826 952755089 /nfs/dbraw/zinc/75/50/89/952755089.db2.gz LSDBWPPYOFGAGI-YUSALJHKSA-N -1 3 380.416 0.244 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C23CCC3)nn1 ZINC001571165754 952755116 /nfs/dbraw/zinc/75/51/16/952755116.db2.gz JREJOTKPKYXYDO-OLZOCXBDSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C23CCC3)nn1 ZINC001571165754 952755117 /nfs/dbraw/zinc/75/51/17/952755117.db2.gz JREJOTKPKYXYDO-OLZOCXBDSA-N -1 3 380.416 0.543 20 0 GCADHM O=C([C@@H]1CCc2n[nH]cc2C1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165838 952756085 /nfs/dbraw/zinc/75/60/85/952756085.db2.gz LVUPFJQYDVSQBR-ZYHUDNBSSA-N -1 3 380.416 0.198 20 0 GCADHM O=C([C@H]1CCCn2ncnc21)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001571165833 952756098 /nfs/dbraw/zinc/75/60/98/952756098.db2.gz LUOODJGSZFMCTM-ZDUSSCGKSA-N -1 3 380.416 0.079 20 0 GCADHM O=C([C@H]1CCCn2ncnc21)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001571165833 952756100 /nfs/dbraw/zinc/75/61/00/952756100.db2.gz LUOODJGSZFMCTM-ZDUSSCGKSA-N -1 3 380.416 0.079 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ncccc2-c2nnn[n-]2)C3)n1 ZINC001571166021 952757363 /nfs/dbraw/zinc/75/73/63/952757363.db2.gz MQPREMJDAWWRRS-SRVKXCTJSA-N -1 3 380.416 0.178 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ncccc2-c2nn[n-]n2)C3)n1 ZINC001571166021 952757365 /nfs/dbraw/zinc/75/73/65/952757365.db2.gz MQPREMJDAWWRRS-SRVKXCTJSA-N -1 3 380.416 0.178 20 0 GCADHM Cc1nc(N2CC[C@@H](N(C)C(=O)c3nccnc3N)C2)ccc1-c1nnn[n-]1 ZINC001571166134 952758590 /nfs/dbraw/zinc/75/85/90/952758590.db2.gz OMZAGZDSAKHEDN-LLVKDONJSA-N -1 3 380.416 0.293 20 0 GCADHM Cc1nc(N2CC[C@@H](N(C)C(=O)c3nccnc3N)C2)ccc1-c1nn[n-]n1 ZINC001571166134 952758594 /nfs/dbraw/zinc/75/85/94/952758594.db2.gz OMZAGZDSAKHEDN-LLVKDONJSA-N -1 3 380.416 0.293 20 0 GCADHM O=C(c1cn[nH]n1)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001571166444 952762015 /nfs/dbraw/zinc/76/20/15/952762015.db2.gz RRAKDVPEUIVDAX-UHFFFAOYSA-N -1 3 380.416 0.513 20 0 GCADHM O=C(c1cn[nH]n1)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001571166444 952762017 /nfs/dbraw/zinc/76/20/17/952762017.db2.gz RRAKDVPEUIVDAX-UHFFFAOYSA-N -1 3 380.416 0.513 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2cncn2C1 ZINC001571166439 952762322 /nfs/dbraw/zinc/76/23/22/952762322.db2.gz ROZMGANPVXVNLR-IJLUTSLNSA-N -1 3 380.416 0.175 20 0 GCADHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166540 952763058 /nfs/dbraw/zinc/76/30/58/952763058.db2.gz SWUWBSNMGXYGEI-WRWGMCAJSA-N -1 3 380.416 0.253 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571166735 952763969 /nfs/dbraw/zinc/76/39/69/952763969.db2.gz PMIONCTZSLRYKL-JTQLQIEISA-N -1 3 380.434 0.055 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571166735 952763974 /nfs/dbraw/zinc/76/39/74/952763974.db2.gz PMIONCTZSLRYKL-JTQLQIEISA-N -1 3 380.434 0.055 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@]3(CCN(c4ccc(-c5nnn[n-]5)nc4)C3)C2)n1 ZINC001571166867 952766360 /nfs/dbraw/zinc/76/63/60/952766360.db2.gz YJEHRAFTXMAXKW-KRWDZBQOSA-N -1 3 380.416 0.133 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@]3(CCN(c4ccc(-c5nn[n-]n5)nc4)C3)C2)n1 ZINC001571166867 952766364 /nfs/dbraw/zinc/76/63/64/952766364.db2.gz YJEHRAFTXMAXKW-KRWDZBQOSA-N -1 3 380.416 0.133 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571166975 952768112 /nfs/dbraw/zinc/76/81/12/952768112.db2.gz ZSOGQKFYMLZKRL-BZPMIXESSA-N -1 3 380.416 0.088 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571166975 952768114 /nfs/dbraw/zinc/76/81/14/952768114.db2.gz ZSOGQKFYMLZKRL-BZPMIXESSA-N -1 3 380.416 0.088 20 0 GCADHM CC(C)OC(=O)C1CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001571167064 952768531 /nfs/dbraw/zinc/76/85/31/952768531.db2.gz USBRBMWETFLUJV-UHFFFAOYSA-N -1 3 380.430 0.614 20 0 GCADHM CC(C)OC(=O)C1CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001571167064 952768538 /nfs/dbraw/zinc/76/85/38/952768538.db2.gz USBRBMWETFLUJV-UHFFFAOYSA-N -1 3 380.430 0.614 20 0 GCADHM Nc1sc2c(c1-c1nnn[n-]1)CCN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)C2 ZINC001571167046 952769047 /nfs/dbraw/zinc/76/90/47/952769047.db2.gz UFVGBNMAJADAOE-QMMMGPOBSA-N -1 3 380.455 0.344 20 0 GCADHM Nc1sc2c(c1-c1nn[n-]n1)CCN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)C2 ZINC001571167046 952769050 /nfs/dbraw/zinc/76/90/50/952769050.db2.gz UFVGBNMAJADAOE-QMMMGPOBSA-N -1 3 380.455 0.344 20 0 GCADHM C[C@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001571169963 952781680 /nfs/dbraw/zinc/78/16/80/952781680.db2.gz APXUWXOAUJQQQK-QGZVFWFLSA-N -1 3 381.400 0.722 20 0 GCADHM CC1(C)CN(C(=O)c2cnccn2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170361 952784583 /nfs/dbraw/zinc/78/45/83/952784583.db2.gz HKNWXRJZLZBEKD-CYBMUJFWSA-N -1 3 381.400 0.265 20 0 GCADHM CC1(C)CN(C(=O)c2cnccn2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170361 952784587 /nfs/dbraw/zinc/78/45/87/952784587.db2.gz HKNWXRJZLZBEKD-CYBMUJFWSA-N -1 3 381.400 0.265 20 0 GCADHM O=C(N[C@@H]1COC[C@H]1O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC001571170374 952784648 /nfs/dbraw/zinc/78/46/48/952784648.db2.gz HTYOBCXHDVQNSF-IAGOWNOFSA-N -1 3 381.392 0.935 20 0 GCADHM O=C(N[C@@H]1COC[C@H]1O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC001571170374 952784652 /nfs/dbraw/zinc/78/46/52/952784652.db2.gz HTYOBCXHDVQNSF-IAGOWNOFSA-N -1 3 381.392 0.935 20 0 GCADHM CCOc1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001571170720 952788447 /nfs/dbraw/zinc/78/84/47/952788447.db2.gz KYMAZPZXMTTZRS-LBPRGKRZSA-N -1 3 381.400 0.777 20 0 GCADHM CCOc1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001571170720 952788453 /nfs/dbraw/zinc/78/84/53/952788453.db2.gz KYMAZPZXMTTZRS-LBPRGKRZSA-N -1 3 381.400 0.777 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001571170722 952788666 /nfs/dbraw/zinc/78/86/66/952788666.db2.gz KZPINLALEXYUEY-BXUZGUMPSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001571170722 952788672 /nfs/dbraw/zinc/78/86/72/952788672.db2.gz KZPINLALEXYUEY-BXUZGUMPSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ccncn1 ZINC001571171325 952792649 /nfs/dbraw/zinc/79/26/49/952792649.db2.gz QWLUOUWNOKXYAX-QWRGUYRKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ccncn1 ZINC001571171325 952792655 /nfs/dbraw/zinc/79/26/55/952792655.db2.gz QWLUOUWNOKXYAX-QWRGUYRKSA-N -1 3 381.400 0.408 20 0 GCADHM CN(C[C@H]1CCN1CCO[C@@H]1CC1(F)F)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571171590 952794724 /nfs/dbraw/zinc/79/47/24/952794724.db2.gz STLSLGZCXQFTFB-DGCLKSJQSA-N -1 3 381.387 0.765 20 0 GCADHM NC(=O)C1(O)CCN(Cc2cc(-c3nn[n-]n3)ccc2Br)CC1 ZINC001571171581 952794987 /nfs/dbraw/zinc/79/49/87/952794987.db2.gz CTJKNYPGDBGGKT-UHFFFAOYSA-N -1 3 381.234 0.441 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571171747 952796994 /nfs/dbraw/zinc/79/69/94/952796994.db2.gz FUPWIZSPIOEXGU-LURJTMIESA-N -1 3 380.825 0.730 20 0 GCADHM O=C(Cc1ccoc1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571171992 952800308 /nfs/dbraw/zinc/80/03/08/952800308.db2.gz ZXDPEVQHUHRTPU-IUODEOHRSA-N -1 3 381.396 0.703 20 0 GCADHM O=C(Cc1ccoc1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571171992 952800315 /nfs/dbraw/zinc/80/03/15/952800315.db2.gz ZXDPEVQHUHRTPU-IUODEOHRSA-N -1 3 381.396 0.703 20 0 GCADHM Cn1cncc1CCC(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571172265 952804391 /nfs/dbraw/zinc/80/43/91/952804391.db2.gz RFYKDYPVOBXQEC-UHFFFAOYSA-N -1 3 380.456 0.877 20 0 GCADHM COc1ncc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@@H]2C)cn1 ZINC001571174559 952809285 /nfs/dbraw/zinc/80/92/85/952809285.db2.gz AICHRDGWXZMWGB-GWCFXTLKSA-N -1 3 381.400 0.775 20 0 GCADHM COc1ncc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@@H]2C)cn1 ZINC001571174559 952809292 /nfs/dbraw/zinc/80/92/92/952809292.db2.gz AICHRDGWXZMWGB-GWCFXTLKSA-N -1 3 381.400 0.775 20 0 GCADHM COc1ncc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@@H]2C)cn1 ZINC001571174560 952809346 /nfs/dbraw/zinc/80/93/46/952809346.db2.gz AICHRDGWXZMWGB-GXFFZTMASA-N -1 3 381.400 0.775 20 0 GCADHM COc1ncc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@@H]2C)cn1 ZINC001571174560 952809353 /nfs/dbraw/zinc/80/93/53/952809353.db2.gz AICHRDGWXZMWGB-GXFFZTMASA-N -1 3 381.400 0.775 20 0 GCADHM COc1ncc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@H]2C)cn1 ZINC001571174562 952810460 /nfs/dbraw/zinc/81/04/60/952810460.db2.gz AICHRDGWXZMWGB-ZWNOBZJWSA-N -1 3 381.400 0.775 20 0 GCADHM COc1ncc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@H]2C)cn1 ZINC001571174562 952810467 /nfs/dbraw/zinc/81/04/67/952810467.db2.gz AICHRDGWXZMWGB-ZWNOBZJWSA-N -1 3 381.400 0.775 20 0 GCADHM COc1cncc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571174613 952810796 /nfs/dbraw/zinc/81/07/96/952810796.db2.gz BZRLUSFVRCMYHJ-LBPRGKRZSA-N -1 3 381.400 0.459 20 0 GCADHM COc1cncc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571174613 952810801 /nfs/dbraw/zinc/81/08/01/952810801.db2.gz BZRLUSFVRCMYHJ-LBPRGKRZSA-N -1 3 381.400 0.459 20 0 GCADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)nn1 ZINC001571174639 952811667 /nfs/dbraw/zinc/81/16/67/952811667.db2.gz CRFSKFSBSCZWOF-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)nn1 ZINC001571174639 952811673 /nfs/dbraw/zinc/81/16/73/952811673.db2.gz CRFSKFSBSCZWOF-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM COc1cnc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)nc1 ZINC001571174719 952812443 /nfs/dbraw/zinc/81/24/43/952812443.db2.gz GDQQBBBAHDJUAK-UMSPYCQHSA-N -1 3 381.400 0.681 20 0 GCADHM COc1cnc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)nc1 ZINC001571174719 952812446 /nfs/dbraw/zinc/81/24/46/952812446.db2.gz GDQQBBBAHDJUAK-UMSPYCQHSA-N -1 3 381.400 0.681 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)ncn1 ZINC001571174666 952813229 /nfs/dbraw/zinc/81/32/29/952813229.db2.gz DVHQXNNBNJNPRT-GFCCVEGCSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)ncn1 ZINC001571174666 952813237 /nfs/dbraw/zinc/81/32/37/952813237.db2.gz DVHQXNNBNJNPRT-GFCCVEGCSA-N -1 3 381.400 0.280 20 0 GCADHM COc1cnc(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nnn[n-]2)nc1 ZINC001571174790 952814292 /nfs/dbraw/zinc/81/42/92/952814292.db2.gz IFPVJGXMBIZSGU-NSHDSACASA-N -1 3 381.400 0.777 20 0 GCADHM COc1cnc(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nn[n-]n2)nc1 ZINC001571174790 952814296 /nfs/dbraw/zinc/81/42/96/952814296.db2.gz IFPVJGXMBIZSGU-NSHDSACASA-N -1 3 381.400 0.777 20 0 GCADHM COc1ncc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001571174858 952815433 /nfs/dbraw/zinc/81/54/33/952815433.db2.gz KQPDYDFTCJHXIK-GFCCVEGCSA-N -1 3 381.400 0.459 20 0 GCADHM COc1ncc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001571174858 952815438 /nfs/dbraw/zinc/81/54/38/952815438.db2.gz KQPDYDFTCJHXIK-GFCCVEGCSA-N -1 3 381.400 0.459 20 0 GCADHM COc1cnc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)nc1 ZINC001571174860 952816257 /nfs/dbraw/zinc/81/62/57/952816257.db2.gz KSCUAEDEFSERRU-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM COc1cnc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)nc1 ZINC001571174860 952816266 /nfs/dbraw/zinc/81/62/66/952816266.db2.gz KSCUAEDEFSERRU-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM COc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001571175257 952818489 /nfs/dbraw/zinc/81/84/89/952818489.db2.gz RBKNHTQSIPUADO-QMTHXVAHSA-N -1 3 381.400 0.633 20 0 GCADHM COc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001571175257 952818494 /nfs/dbraw/zinc/81/84/94/952818494.db2.gz RBKNHTQSIPUADO-QMTHXVAHSA-N -1 3 381.400 0.633 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ncc[nH]1 ZINC001571175299 952819365 /nfs/dbraw/zinc/81/93/65/952819365.db2.gz AJQROAISOGZPKX-YOGCLGLASA-N -1 3 381.400 0.484 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ncc[nH]1 ZINC001571175299 952819369 /nfs/dbraw/zinc/81/93/69/952819369.db2.gz AJQROAISOGZPKX-YOGCLGLASA-N -1 3 381.400 0.484 20 0 GCADHM O=C(N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)c1c[nH]c(=O)cn1 ZINC001571175662 952823352 /nfs/dbraw/zinc/82/33/52/952823352.db2.gz DMNKAKWPRDOSDL-GHMZBOCLSA-N -1 3 381.400 0.498 20 0 GCADHM O=C(N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)c1c[nH]c(=O)cn1 ZINC001571175662 952823355 /nfs/dbraw/zinc/82/33/55/952823355.db2.gz DMNKAKWPRDOSDL-GHMZBOCLSA-N -1 3 381.400 0.498 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H](C)C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571175655 952823855 /nfs/dbraw/zinc/82/38/55/952823855.db2.gz DFIFYHWIMLVVDC-JTQLQIEISA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H](C)C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571175655 952823861 /nfs/dbraw/zinc/82/38/61/952823861.db2.gz DFIFYHWIMLVVDC-JTQLQIEISA-N -1 3 381.400 0.184 20 0 GCADHM O=C(N[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)c1c[nH]c(=O)cn1 ZINC001571175663 952824009 /nfs/dbraw/zinc/82/40/09/952824009.db2.gz DMNKAKWPRDOSDL-MNOVXSKESA-N -1 3 381.400 0.498 20 0 GCADHM O=C(N[C@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)c1c[nH]c(=O)cn1 ZINC001571175663 952824014 /nfs/dbraw/zinc/82/40/14/952824014.db2.gz DMNKAKWPRDOSDL-MNOVXSKESA-N -1 3 381.400 0.498 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571175632 952824170 /nfs/dbraw/zinc/82/41/70/952824170.db2.gz XRGMJDOWNKFIAL-PHIMTYICSA-N -1 3 381.400 0.207 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571175632 952824177 /nfs/dbraw/zinc/82/41/77/952824177.db2.gz XRGMJDOWNKFIAL-PHIMTYICSA-N -1 3 381.400 0.207 20 0 GCADHM Cc1nonc1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001571175692 952824977 /nfs/dbraw/zinc/82/49/77/952824977.db2.gz FHLFIOUHYYLPKB-PXAZEXFGSA-N -1 3 381.400 0.552 20 0 GCADHM Cc1nonc1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001571175692 952824981 /nfs/dbraw/zinc/82/49/81/952824981.db2.gz FHLFIOUHYYLPKB-PXAZEXFGSA-N -1 3 381.400 0.552 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)n1 ZINC001571175695 952825606 /nfs/dbraw/zinc/82/56/06/952825606.db2.gz FJBOZCPKNXWQAW-QWRGUYRKSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)n1 ZINC001571175695 952825613 /nfs/dbraw/zinc/82/56/13/952825613.db2.gz FJBOZCPKNXWQAW-QWRGUYRKSA-N -1 3 381.400 0.326 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001571175774 952826397 /nfs/dbraw/zinc/82/63/97/952826397.db2.gz ZIIGUGWSCIMEAF-LBPRGKRZSA-N -1 3 381.400 0.040 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001571175774 952826402 /nfs/dbraw/zinc/82/64/02/952826402.db2.gz ZIIGUGWSCIMEAF-LBPRGKRZSA-N -1 3 381.400 0.040 20 0 GCADHM Cc1ccnc(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571175899 952826499 /nfs/dbraw/zinc/82/64/99/952826499.db2.gz HGQQJLDHTOMHAI-CYBMUJFWSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1ccnc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571175899 952826506 /nfs/dbraw/zinc/82/65/06/952826506.db2.gz HGQQJLDHTOMHAI-CYBMUJFWSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1nnccc1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571176110 952827438 /nfs/dbraw/zinc/82/74/38/952827438.db2.gz LIWWPXBRANMHBM-LBPRGKRZSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1nnccc1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571176110 952827443 /nfs/dbraw/zinc/82/74/43/952827443.db2.gz LIWWPXBRANMHBM-LBPRGKRZSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1nc[nH]c(=O)c1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571176113 952827591 /nfs/dbraw/zinc/82/75/91/952827591.db2.gz LLWVOZGWYXSOGK-LLVKDONJSA-N -1 3 381.400 0.465 20 0 GCADHM Cc1cnc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)cn1 ZINC001571176094 952828342 /nfs/dbraw/zinc/82/83/42/952828342.db2.gz KVGMBQTZHNIMNJ-YMTOWFKASA-N -1 3 381.400 0.184 20 0 GCADHM Cc1cnc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)cn1 ZINC001571176094 952828348 /nfs/dbraw/zinc/82/83/48/952828348.db2.gz KVGMBQTZHNIMNJ-YMTOWFKASA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ccnc(C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571176341 952830201 /nfs/dbraw/zinc/83/02/01/952830201.db2.gz PVOUSHPVMWPXDR-LBPRGKRZSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1ccnc(C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571176341 952830205 /nfs/dbraw/zinc/83/02/05/952830205.db2.gz PVOUSHPVMWPXDR-LBPRGKRZSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1cnc(C(=O)N2CCO[C@H](CNc3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571176327 952830979 /nfs/dbraw/zinc/83/09/79/952830979.db2.gz PQFWIWCJNWYRFO-GFCCVEGCSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1cnc(C(=O)N2CCO[C@H](CNc3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571176327 952830984 /nfs/dbraw/zinc/83/09/84/952830984.db2.gz PQFWIWCJNWYRFO-GFCCVEGCSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1nccc(C(=O)N2CC([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571176509 952831621 /nfs/dbraw/zinc/83/16/21/952831621.db2.gz SDRPPRYUUJTWCV-SECBINFHSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1nccc(C(=O)N2CC([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571176509 952831626 /nfs/dbraw/zinc/83/16/26/952831626.db2.gz SDRPPRYUUJTWCV-SECBINFHSA-N -1 3 381.400 0.184 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2cccnn2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571176464 952831675 /nfs/dbraw/zinc/83/16/75/952831675.db2.gz RDYQRKIEYSLNTQ-MNOVXSKESA-N -1 3 381.400 0.313 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2cccnn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571176464 952831678 /nfs/dbraw/zinc/83/16/78/952831678.db2.gz RDYQRKIEYSLNTQ-MNOVXSKESA-N -1 3 381.400 0.313 20 0 GCADHM Cc1nonc1C(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571176551 952832899 /nfs/dbraw/zinc/83/28/99/952832899.db2.gz UPQAFIGZWMGJDX-STQMWFEESA-N -1 3 381.400 0.694 20 0 GCADHM Cc1nonc1C(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571176551 952832905 /nfs/dbraw/zinc/83/29/05/952832905.db2.gz UPQAFIGZWMGJDX-STQMWFEESA-N -1 3 381.400 0.694 20 0 GCADHM Cc1nonc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571176550 952833592 /nfs/dbraw/zinc/83/35/92/952833592.db2.gz UPQAFIGZWMGJDX-QWHCGFSZSA-N -1 3 381.400 0.694 20 0 GCADHM Cc1nonc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571176550 952833595 /nfs/dbraw/zinc/83/35/95/952833595.db2.gz UPQAFIGZWMGJDX-QWHCGFSZSA-N -1 3 381.400 0.694 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571176687 952834294 /nfs/dbraw/zinc/83/42/94/952834294.db2.gz XDWXHKGUOFESMJ-GFCCVEGCSA-N -1 3 381.400 0.072 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571176687 952834298 /nfs/dbraw/zinc/83/42/98/952834298.db2.gz XDWXHKGUOFESMJ-GFCCVEGCSA-N -1 3 381.400 0.072 20 0 GCADHM Cn1c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)cn2)c[nH]c1=O ZINC001571176644 952834919 /nfs/dbraw/zinc/83/49/19/952834919.db2.gz WRNBCYSITVSWBU-TXEJJXNPSA-N -1 3 381.400 0.194 20 0 GCADHM Cn1c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)cn2)c[nH]c1=O ZINC001571176644 952834921 /nfs/dbraw/zinc/83/49/21/952834921.db2.gz WRNBCYSITVSWBU-TXEJJXNPSA-N -1 3 381.400 0.194 20 0 GCADHM O=C(c1cncnc1)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571178420 952840120 /nfs/dbraw/zinc/84/01/20/952840120.db2.gz IEAMPWFKPKRWML-KRWDZBQOSA-N -1 3 381.400 0.131 20 0 GCADHM O=C(c1cncnc1)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571178420 952840130 /nfs/dbraw/zinc/84/01/30/952840130.db2.gz IEAMPWFKPKRWML-KRWDZBQOSA-N -1 3 381.400 0.131 20 0 GCADHM O=C(c1cc2n(n1)CCCO2)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571178659 952845482 /nfs/dbraw/zinc/84/54/82/952845482.db2.gz QMVWQQHCWUORMW-GFCCVEGCSA-N -1 3 381.400 0.567 20 0 GCADHM O=C(c1cc2n(n1)CCCO2)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571178659 952845488 /nfs/dbraw/zinc/84/54/88/952845488.db2.gz QMVWQQHCWUORMW-GFCCVEGCSA-N -1 3 381.400 0.567 20 0 GCADHM O=C(c1cnccn1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571178717 952846864 /nfs/dbraw/zinc/84/68/64/952846864.db2.gz RUZIGFGBSWPSMM-UHFFFAOYSA-N -1 3 381.400 0.131 20 0 GCADHM O=C(c1cnccn1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571178717 952846870 /nfs/dbraw/zinc/84/68/70/952846870.db2.gz RUZIGFGBSWPSMM-UHFFFAOYSA-N -1 3 381.400 0.131 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3CCN(C(=O)C4=CCOCC4)[C@@H]3C2)n1 ZINC001571181348 952863216 /nfs/dbraw/zinc/86/32/16/952863216.db2.gz UQAANWRBBDSIDE-GOEBONIOSA-N -1 3 381.440 0.954 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3CCN(C(=O)C4=CCOCC4)[C@@H]3C2)n1 ZINC001571181348 952863221 /nfs/dbraw/zinc/86/32/21/952863221.db2.gz UQAANWRBBDSIDE-GOEBONIOSA-N -1 3 381.440 0.954 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571181396 952864427 /nfs/dbraw/zinc/86/44/27/952864427.db2.gz WCPQCQFYMAZYON-LOPACJBASA-N -1 3 381.440 0.770 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571181396 952864431 /nfs/dbraw/zinc/86/44/31/952864431.db2.gz WCPQCQFYMAZYON-LOPACJBASA-N -1 3 381.440 0.770 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571181438 952864478 /nfs/dbraw/zinc/86/44/78/952864478.db2.gz XFGUHXFRXMYVKE-YYMGMBILSA-N -1 3 381.440 0.581 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571181438 952864484 /nfs/dbraw/zinc/86/44/84/952864484.db2.gz XFGUHXFRXMYVKE-YYMGMBILSA-N -1 3 381.440 0.581 20 0 GCADHM C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571182831 952870018 /nfs/dbraw/zinc/87/00/18/952870018.db2.gz HBEJMMINNUBFPY-WUOMUSOBSA-N -1 3 381.440 0.439 20 0 GCADHM C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571182831 952870024 /nfs/dbraw/zinc/87/00/24/952870024.db2.gz HBEJMMINNUBFPY-WUOMUSOBSA-N -1 3 381.440 0.439 20 0 GCADHM CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571183312 952876102 /nfs/dbraw/zinc/87/61/02/952876102.db2.gz WRKGJOISXBMPPZ-SGAAXARDSA-N -1 3 381.440 0.722 20 0 GCADHM CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571183312 952876105 /nfs/dbraw/zinc/87/61/05/952876105.db2.gz WRKGJOISXBMPPZ-SGAAXARDSA-N -1 3 381.440 0.722 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571184176 952889537 /nfs/dbraw/zinc/88/95/37/952889537.db2.gz SOVHFJDDAFAHRX-OCCSQVGLSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571184176 952889541 /nfs/dbraw/zinc/88/95/41/952889541.db2.gz SOVHFJDDAFAHRX-OCCSQVGLSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571184236 952889586 /nfs/dbraw/zinc/88/95/86/952889586.db2.gz UMGHJKUTBPFODJ-IUODEOHRSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571184236 952889590 /nfs/dbraw/zinc/88/95/90/952889590.db2.gz UMGHJKUTBPFODJ-IUODEOHRSA-N -1 3 381.444 0.887 20 0 GCADHM CCc1cc(C(=O)NC[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)nn1C ZINC001571184253 952890269 /nfs/dbraw/zinc/89/02/69/952890269.db2.gz USXRCFQZQLVZDN-LBPRGKRZSA-N -1 3 381.444 0.814 20 0 GCADHM CCc1cc(C(=O)NC[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)nn1C ZINC001571184253 952890276 /nfs/dbraw/zinc/89/02/76/952890276.db2.gz USXRCFQZQLVZDN-LBPRGKRZSA-N -1 3 381.444 0.814 20 0 GCADHM C[C@H]1CN(C(=O)Cc2ccn(C)n2)CC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571184432 952893470 /nfs/dbraw/zinc/89/34/70/952893470.db2.gz ZFXZHAUGTDWELT-SWLSCSKDSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H]1CN(C(=O)Cc2ccn(C)n2)CC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571184432 952893480 /nfs/dbraw/zinc/89/34/80/952893480.db2.gz ZFXZHAUGTDWELT-SWLSCSKDSA-N -1 3 381.444 0.887 20 0 GCADHM CCn1ccc(CC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571184983 952899123 /nfs/dbraw/zinc/89/91/23/952899123.db2.gz GIGJRQFPMFLEQG-UHFFFAOYSA-N -1 3 381.444 0.760 20 0 GCADHM CCn1ccc(CC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571184983 952899128 /nfs/dbraw/zinc/89/91/28/952899128.db2.gz GIGJRQFPMFLEQG-UHFFFAOYSA-N -1 3 381.444 0.760 20 0 GCADHM Cc1c(CCC(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)cnn1C ZINC001571185208 952901278 /nfs/dbraw/zinc/90/12/78/952901278.db2.gz JQQHCCVQFCNUCE-CQSZACIVSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1c(CCC(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)cnn1C ZINC001571185208 952901279 /nfs/dbraw/zinc/90/12/79/952901279.db2.gz JQQHCCVQFCNUCE-CQSZACIVSA-N -1 3 381.444 0.949 20 0 GCADHM CCn1cc(CC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC001571185444 952902172 /nfs/dbraw/zinc/90/21/72/952902172.db2.gz LOEOXCGUELMMCJ-UHFFFAOYSA-N -1 3 381.444 0.760 20 0 GCADHM CCn1cc(CC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC001571185444 952902174 /nfs/dbraw/zinc/90/21/74/952902174.db2.gz LOEOXCGUELMMCJ-UHFFFAOYSA-N -1 3 381.444 0.760 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)cnn1C ZINC001571185452 952902392 /nfs/dbraw/zinc/90/23/92/952902392.db2.gz LSMFYVFLJRBNRU-ZDUSSCGKSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nc3)C2)cnn1C ZINC001571185452 952902394 /nfs/dbraw/zinc/90/23/94/952902394.db2.gz LSMFYVFLJRBNRU-ZDUSSCGKSA-N -1 3 381.444 0.902 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cncn2C)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571185537 952902484 /nfs/dbraw/zinc/90/24/84/952902484.db2.gz MXWHJBACXRGZFY-ZDUSSCGKSA-N -1 3 381.444 0.984 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cncn2C)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571185537 952902486 /nfs/dbraw/zinc/90/24/86/952902486.db2.gz MXWHJBACXRGZFY-ZDUSSCGKSA-N -1 3 381.444 0.984 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)CCn2cccn2)CC1 ZINC001571186265 952905656 /nfs/dbraw/zinc/90/56/56/952905656.db2.gz UTUGLOGEFWORAZ-UHFFFAOYSA-N -1 3 381.444 0.976 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)C1CCN(C(=O)CCn2cccn2)CC1 ZINC001571186265 952905659 /nfs/dbraw/zinc/90/56/59/952905659.db2.gz UTUGLOGEFWORAZ-UHFFFAOYSA-N -1 3 381.444 0.976 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001571186131 952905814 /nfs/dbraw/zinc/90/58/14/952905814.db2.gz TUNPWAQNDJOIPP-OAHLLOKOSA-N -1 3 381.444 0.665 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001571186131 952905821 /nfs/dbraw/zinc/90/58/21/952905821.db2.gz TUNPWAQNDJOIPP-OAHLLOKOSA-N -1 3 381.444 0.665 20 0 GCADHM Cc1cc(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)nn1C ZINC001571187697 952908655 /nfs/dbraw/zinc/90/86/55/952908655.db2.gz AXFMBMDRUQOBPI-MLGOLLRUSA-N -1 3 381.444 0.583 20 0 GCADHM Cc1cc(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)nn1C ZINC001571187697 952908659 /nfs/dbraw/zinc/90/86/59/952908659.db2.gz AXFMBMDRUQOBPI-MLGOLLRUSA-N -1 3 381.444 0.583 20 0 GCADHM Cc1ccnn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC001571188160 952912051 /nfs/dbraw/zinc/91/20/51/952912051.db2.gz HCJRXVAJNGQQQV-ZIAGYGMSSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1ccnn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC001571188160 952912054 /nfs/dbraw/zinc/91/20/54/952912054.db2.gz HCJRXVAJNGQQQV-ZIAGYGMSSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cnn(CC(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571188136 952912517 /nfs/dbraw/zinc/91/25/17/952912517.db2.gz GOVSDDIDJZLJPY-UHFFFAOYSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1cnn(CC(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571188136 952912523 /nfs/dbraw/zinc/91/25/23/952912523.db2.gz GOVSDDIDJZLJPY-UHFFFAOYSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCN(C(=O)Cc3cncn3C)C2)n1 ZINC001571188395 952914214 /nfs/dbraw/zinc/91/42/14/952914214.db2.gz KFJXZKAIQNILOI-CYBMUJFWSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCN(C(=O)Cc3cncn3C)C2)n1 ZINC001571188395 952914222 /nfs/dbraw/zinc/91/42/22/952914222.db2.gz KFJXZKAIQNILOI-CYBMUJFWSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571188494 952916382 /nfs/dbraw/zinc/91/63/82/952916382.db2.gz BYUUZIREHDTXQT-OAHLLOKOSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571188494 952916383 /nfs/dbraw/zinc/91/63/83/952916383.db2.gz BYUUZIREHDTXQT-OAHLLOKOSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nn(C)cc1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001571188778 952919386 /nfs/dbraw/zinc/91/93/86/952919386.db2.gz JCBXYRBOVLSYEH-DOMZBBRYSA-N -1 3 381.444 0.630 20 0 GCADHM Cc1nc(N[C@H]2CCCN(C(=O)Cc3cncn3C)C2)ccc1-c1nn[n-]n1 ZINC001571188737 952919190 /nfs/dbraw/zinc/91/91/90/952919190.db2.gz HDXKAVNKNUHKSW-ZDUSSCGKSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nn(C)cc1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001571188778 952919382 /nfs/dbraw/zinc/91/93/82/952919382.db2.gz JCBXYRBOVLSYEH-DOMZBBRYSA-N -1 3 381.444 0.630 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C ZINC001571188752 952919423 /nfs/dbraw/zinc/91/94/23/952919423.db2.gz HWHJAHPCJHHQQQ-HNNXBMFYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C ZINC001571188752 952919427 /nfs/dbraw/zinc/91/94/27/952919427.db2.gz HWHJAHPCJHHQQQ-HNNXBMFYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CC[C@@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001571188821 952921016 /nfs/dbraw/zinc/92/10/16/952921016.db2.gz NHJAVDPASJFBOJ-OCCSQVGLSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CC[C@@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001571188821 952921019 /nfs/dbraw/zinc/92/10/19/952921019.db2.gz NHJAVDPASJFBOJ-OCCSQVGLSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)ncc1-c1nnn[n-]1 ZINC001571188871 952921846 /nfs/dbraw/zinc/92/18/46/952921846.db2.gz OMXAOQYLYHLQGA-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1cc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)ncc1-c1nn[n-]n1 ZINC001571188871 952921855 /nfs/dbraw/zinc/92/18/55/952921855.db2.gz OMXAOQYLYHLQGA-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)[C@@H](C)c3cnn(C)c3)C2)n1 ZINC001571188884 952921874 /nfs/dbraw/zinc/92/18/74/952921874.db2.gz OVHQSYOHOFYHKV-GXTWGEPZSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)[C@@H](C)c3cnn(C)c3)C2)n1 ZINC001571188884 952921879 /nfs/dbraw/zinc/92/18/79/952921879.db2.gz OVHQSYOHOFYHKV-GXTWGEPZSA-N -1 3 381.444 0.802 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cc3n(n2)CCCC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571189125 952924805 /nfs/dbraw/zinc/92/48/05/952924805.db2.gz MQBKNUCGEYIZPR-CYBMUJFWSA-N -1 3 381.444 0.732 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cc3n(n2)CCCC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571189125 952924810 /nfs/dbraw/zinc/92/48/10/952924810.db2.gz MQBKNUCGEYIZPR-CYBMUJFWSA-N -1 3 381.444 0.732 20 0 GCADHM Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571189147 952924953 /nfs/dbraw/zinc/92/49/53/952924953.db2.gz NEJUJTTYZGSXLY-CYBMUJFWSA-N -1 3 381.444 0.868 20 0 GCADHM Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571189147 952924957 /nfs/dbraw/zinc/92/49/57/952924957.db2.gz NEJUJTTYZGSXLY-CYBMUJFWSA-N -1 3 381.444 0.868 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC2CC(N(C)C(=O)Cc3cncn3C)C2)n1 ZINC001571189116 952925116 /nfs/dbraw/zinc/92/51/16/952925116.db2.gz SLOJZKORECVLOO-UHFFFAOYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC2CC(N(C)C(=O)Cc3cncn3C)C2)n1 ZINC001571189116 952925120 /nfs/dbraw/zinc/92/51/20/952925120.db2.gz SLOJZKORECVLOO-UHFFFAOYSA-N -1 3 381.444 0.948 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cc3n(n2)CCCC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571189126 952925305 /nfs/dbraw/zinc/92/53/05/952925305.db2.gz MQBKNUCGEYIZPR-ZDUSSCGKSA-N -1 3 381.444 0.732 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cc3n(n2)CCCC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571189126 952925309 /nfs/dbraw/zinc/92/53/09/952925309.db2.gz MQBKNUCGEYIZPR-ZDUSSCGKSA-N -1 3 381.444 0.732 20 0 GCADHM Cc1cc(CN2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C(C)(C)C2)ncn1 ZINC001571189643 952931866 /nfs/dbraw/zinc/93/18/66/952931866.db2.gz ZKPIDVJTKFIRND-OAHLLOKOSA-N -1 3 381.444 0.934 20 0 GCADHM Cc1cc(CN2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C(C)(C)C2)ncn1 ZINC001571189643 952931868 /nfs/dbraw/zinc/93/18/68/952931868.db2.gz ZKPIDVJTKFIRND-OAHLLOKOSA-N -1 3 381.444 0.934 20 0 GCADHM Cc1nn(C)cc1CCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571189778 952934996 /nfs/dbraw/zinc/93/49/96/952934996.db2.gz UMHKKJYGVRGSST-HNNXBMFYSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nn(C)cc1CCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571189778 952935003 /nfs/dbraw/zinc/93/50/03/952935003.db2.gz UMHKKJYGVRGSST-HNNXBMFYSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nc(N(C)C[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)ccc1-c1nnn[n-]1 ZINC001571189876 952936239 /nfs/dbraw/zinc/93/62/39/952936239.db2.gz YGRZNCNYCYAVLI-ZDUSSCGKSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1nc(N(C)C[C@@H]2CCN(C(=O)c3cnn(C)c3)C2)ccc1-c1nn[n-]n1 ZINC001571189876 952936242 /nfs/dbraw/zinc/93/62/42/952936242.db2.gz YGRZNCNYCYAVLI-ZDUSSCGKSA-N -1 3 381.444 0.902 20 0 GCADHM C[C@H](NC(=O)NC(C)(C)CNS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571189904 952937949 /nfs/dbraw/zinc/93/79/49/952937949.db2.gz YZKUIIVPDWIAMZ-JTQLQIEISA-N -1 3 381.462 0.555 20 0 GCADHM C[C@H](NC(=O)NC(C)(C)CNS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571189904 952937954 /nfs/dbraw/zinc/93/79/54/952937954.db2.gz YZKUIIVPDWIAMZ-JTQLQIEISA-N -1 3 381.462 0.555 20 0 GCADHM C[C@@H]1C[C@@H]1C(=O)N1CCN(C2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001571190449 952941893 /nfs/dbraw/zinc/94/18/93/952941893.db2.gz IPMBTKZDDXRNOH-KDOFPFPSSA-N -1 3 381.484 0.851 20 0 GCADHM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc[nH]c1=O ZINC001571193768 952951844 /nfs/dbraw/zinc/95/18/44/952951844.db2.gz BVKHUAQJZFDCEL-VHSXEESVSA-N -1 3 382.388 0.258 20 0 GCADHM Cc1conc1C(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571193965 952955270 /nfs/dbraw/zinc/95/52/70/952955270.db2.gz CBAICLFIRQHTKZ-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM Cc1conc1C(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571193965 952955278 /nfs/dbraw/zinc/95/52/78/952955278.db2.gz CBAICLFIRQHTKZ-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(=O)[nH]1 ZINC001571194016 952955590 /nfs/dbraw/zinc/95/55/90/952955590.db2.gz DZIDIASORWVRJM-LLVKDONJSA-N -1 3 382.384 0.248 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(=O)[nH]1 ZINC001571194016 952955593 /nfs/dbraw/zinc/95/55/93/952955593.db2.gz DZIDIASORWVRJM-LLVKDONJSA-N -1 3 382.384 0.248 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571193938 952955770 /nfs/dbraw/zinc/95/57/70/952955770.db2.gz BHJRFRXNZRZMDY-MWLCHTKSSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571193938 952955773 /nfs/dbraw/zinc/95/57/73/952955773.db2.gz BHJRFRXNZRZMDY-MWLCHTKSSA-N -1 3 382.384 0.328 20 0 GCADHM COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571193960 952955844 /nfs/dbraw/zinc/95/58/44/952955844.db2.gz BZEBUZHGCMCINR-SNVBAGLBSA-N -1 3 382.384 0.380 20 0 GCADHM COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571193960 952955847 /nfs/dbraw/zinc/95/58/47/952955847.db2.gz BZEBUZHGCMCINR-SNVBAGLBSA-N -1 3 382.384 0.380 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571193940 952956151 /nfs/dbraw/zinc/95/61/51/952956151.db2.gz BHJRFRXNZRZMDY-ONGXEEELSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571193940 952956155 /nfs/dbraw/zinc/95/61/55/952956155.db2.gz BHJRFRXNZRZMDY-ONGXEEELSA-N -1 3 382.384 0.328 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3cncc(F)c3)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194013 952956165 /nfs/dbraw/zinc/95/61/65/952956165.db2.gz DXVXLQOFXNSDII-IMRBUKKESA-N -1 3 382.359 0.229 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3cncc(F)c3)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194013 952956169 /nfs/dbraw/zinc/95/61/69/952956169.db2.gz DXVXLQOFXNSDII-IMRBUKKESA-N -1 3 382.359 0.229 20 0 GCADHM COc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571194134 952958544 /nfs/dbraw/zinc/95/85/44/952958544.db2.gz GZBFXMMDQOQWCR-LLVKDONJSA-N -1 3 382.384 0.243 20 0 GCADHM COc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571194134 952958553 /nfs/dbraw/zinc/95/85/53/952958553.db2.gz GZBFXMMDQOQWCR-LLVKDONJSA-N -1 3 382.384 0.243 20 0 GCADHM COC(=O)c1cc(NC(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)nn1C ZINC001571194208 952959162 /nfs/dbraw/zinc/95/91/62/952959162.db2.gz JAXDVESIOIKVPV-LBPRGKRZSA-N -1 3 382.384 0.676 20 0 GCADHM COC(=O)c1cc(NC(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)nn1C ZINC001571194208 952959168 /nfs/dbraw/zinc/95/91/68/952959168.db2.gz JAXDVESIOIKVPV-LBPRGKRZSA-N -1 3 382.384 0.676 20 0 GCADHM COCc1nocc1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571194195 952960110 /nfs/dbraw/zinc/96/01/10/952960110.db2.gz INLFYPKOJDFEEB-YABSGUDNSA-N -1 3 382.384 0.261 20 0 GCADHM COCc1nocc1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571194195 952960126 /nfs/dbraw/zinc/96/01/26/952960126.db2.gz INLFYPKOJDFEEB-YABSGUDNSA-N -1 3 382.384 0.261 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)on1 ZINC001571194307 952960637 /nfs/dbraw/zinc/96/06/37/952960637.db2.gz KCBKXQRSUFLZJS-CNDDSTCGSA-N -1 3 382.384 0.371 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)on1 ZINC001571194307 952960640 /nfs/dbraw/zinc/96/06/40/952960640.db2.gz KCBKXQRSUFLZJS-CNDDSTCGSA-N -1 3 382.384 0.371 20 0 GCADHM Cn1c(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)ccc1-c1nnn[n-]1 ZINC001571194397 952961785 /nfs/dbraw/zinc/96/17/85/952961785.db2.gz LKSAWAIMYZMYQW-UHFFFAOYSA-N -1 3 382.384 0.063 20 0 GCADHM Cn1c(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)ccc1-c1nn[n-]n1 ZINC001571194397 952961789 /nfs/dbraw/zinc/96/17/89/952961789.db2.gz LKSAWAIMYZMYQW-UHFFFAOYSA-N -1 3 382.384 0.063 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3ccc(C(N)=O)o3)C2)ccc1-c1nnn[n-]1 ZINC001571194360 952962049 /nfs/dbraw/zinc/96/20/49/952962049.db2.gz KYLGBRLEYUDJDT-SNVBAGLBSA-N -1 3 382.384 0.271 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3ccc(C(N)=O)o3)C2)ccc1-c1nn[n-]n1 ZINC001571194360 952962052 /nfs/dbraw/zinc/96/20/52/952962052.db2.gz KYLGBRLEYUDJDT-SNVBAGLBSA-N -1 3 382.384 0.271 20 0 GCADHM COc1ncccc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194390 952962187 /nfs/dbraw/zinc/96/21/87/952962187.db2.gz LIZOGAWFZCIRQP-LLVKDONJSA-N -1 3 382.384 0.243 20 0 GCADHM COc1ncccc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194390 952962188 /nfs/dbraw/zinc/96/21/88/952962188.db2.gz LIZOGAWFZCIRQP-LLVKDONJSA-N -1 3 382.384 0.243 20 0 GCADHM O=C(Cc1cnoc1)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571194406 952962207 /nfs/dbraw/zinc/96/22/07/952962207.db2.gz LSOSWUQPNCINOT-BXUZGUMPSA-N -1 3 382.384 0.098 20 0 GCADHM O=C(Cc1cnoc1)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571194406 952962209 /nfs/dbraw/zinc/96/22/09/952962209.db2.gz LSOSWUQPNCINOT-BXUZGUMPSA-N -1 3 382.384 0.098 20 0 GCADHM CN(C(=O)c1cc[nH]c(=O)c1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571194629 952965883 /nfs/dbraw/zinc/96/58/83/952965883.db2.gz PEVPXLNLHJURNP-LLVKDONJSA-N -1 3 382.384 0.282 20 0 GCADHM CN(C(=O)c1cc[nH]c(=O)c1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571194629 952965886 /nfs/dbraw/zinc/96/58/86/952965886.db2.gz PEVPXLNLHJURNP-LLVKDONJSA-N -1 3 382.384 0.282 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571194698 952966704 /nfs/dbraw/zinc/96/67/04/952966704.db2.gz RCQYYRQZOURIQO-NSHDSACASA-N -1 3 382.384 0.670 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571194698 952966711 /nfs/dbraw/zinc/96/67/11/952966711.db2.gz RCQYYRQZOURIQO-NSHDSACASA-N -1 3 382.384 0.670 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2)c1cocn1 ZINC001571194707 952966885 /nfs/dbraw/zinc/96/68/85/952966885.db2.gz RIKNLFXYFVWSNG-AXFHLTTASA-N -1 3 382.384 0.606 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2)c1cocn1 ZINC001571194707 952966890 /nfs/dbraw/zinc/96/68/90/952966890.db2.gz RIKNLFXYFVWSNG-AXFHLTTASA-N -1 3 382.384 0.606 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C(=O)c2cnoc2C2CC2)CC1 ZINC001571194875 952970052 /nfs/dbraw/zinc/97/00/52/952970052.db2.gz UNGIISTTXOLCPR-UHFFFAOYSA-N -1 3 382.384 0.658 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C(=O)c2cnoc2C2CC2)CC1 ZINC001571194875 952970056 /nfs/dbraw/zinc/97/00/56/952970056.db2.gz UNGIISTTXOLCPR-UHFFFAOYSA-N -1 3 382.384 0.658 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1noc2c1COCC2 ZINC001571194878 952970282 /nfs/dbraw/zinc/97/02/82/952970282.db2.gz URPLKLTZZMDUAP-LLVKDONJSA-N -1 3 382.384 0.331 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1noc2c1COCC2 ZINC001571194878 952970284 /nfs/dbraw/zinc/97/02/84/952970284.db2.gz URPLKLTZZMDUAP-LLVKDONJSA-N -1 3 382.384 0.331 20 0 GCADHM Cc1nocc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001571195102 952973388 /nfs/dbraw/zinc/97/33/88/952973388.db2.gz YPXNBSHCNWAEMR-RTCCRHLQSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1nocc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571195102 952973395 /nfs/dbraw/zinc/97/33/95/952973395.db2.gz YPXNBSHCNWAEMR-RTCCRHLQSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1ncoc1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571195104 952973623 /nfs/dbraw/zinc/97/36/23/952973623.db2.gz YQQLAQAMUAUUGR-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM Cc1ncoc1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571195104 952973633 /nfs/dbraw/zinc/97/36/33/952973633.db2.gz YQQLAQAMUAUUGR-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1coc(CO)c1 ZINC001571195144 952975180 /nfs/dbraw/zinc/97/51/80/952975180.db2.gz ZWWAHLOTBJGKOF-OAHLLOKOSA-N -1 3 382.380 0.877 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1coc(CO)c1 ZINC001571195144 952975183 /nfs/dbraw/zinc/97/51/83/952975183.db2.gz ZWWAHLOTBJGKOF-OAHLLOKOSA-N -1 3 382.380 0.877 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](NC(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)C1 ZINC001571195155 952975385 /nfs/dbraw/zinc/97/53/85/952975385.db2.gz YJGLUVAVUNECRS-VHSXEESVSA-N -1 3 382.388 0.223 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](NC(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)C1 ZINC001571195155 952975390 /nfs/dbraw/zinc/97/53/90/952975390.db2.gz YJGLUVAVUNECRS-VHSXEESVSA-N -1 3 382.388 0.223 20 0 GCADHM Cc1ccnc(C(=O)NCC2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)n1 ZINC001571195706 952977989 /nfs/dbraw/zinc/97/79/89/952977989.db2.gz DWIKVSQOVXMTFE-UHFFFAOYSA-N -1 3 382.403 0.966 20 0 GCADHM Cc1ccnc(C(=O)NCC2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)n1 ZINC001571195706 952977994 /nfs/dbraw/zinc/97/79/94/952977994.db2.gz DWIKVSQOVXMTFE-UHFFFAOYSA-N -1 3 382.403 0.966 20 0 GCADHM Cn1cncc1C(=O)N1C[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2C1 ZINC001571196463 952981528 /nfs/dbraw/zinc/98/15/28/952981528.db2.gz KTOGNYSVIWTOJX-TXEJJXNPSA-N -1 3 382.403 0.948 20 0 GCADHM Cn1cncc1C(=O)N1C[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2C1 ZINC001571196463 952981533 /nfs/dbraw/zinc/98/15/33/952981533.db2.gz KTOGNYSVIWTOJX-TXEJJXNPSA-N -1 3 382.403 0.948 20 0 GCADHM COc1ccc(CN2CC[C@@H]2CN(C)C(=O)c2ncc[nH]2)cc1-c1nnn[n-]1 ZINC001571198514 952991666 /nfs/dbraw/zinc/99/16/66/952991666.db2.gz ANSXEMXDBRAPPG-CYBMUJFWSA-N -1 3 382.428 0.945 20 0 GCADHM COc1ccc(CN2CC[C@@H]2CN(C)C(=O)c2ncc[nH]2)cc1-c1nn[n-]n1 ZINC001571198514 952991668 /nfs/dbraw/zinc/99/16/68/952991668.db2.gz ANSXEMXDBRAPPG-CYBMUJFWSA-N -1 3 382.428 0.945 20 0 GCADHM COc1ccc(CN2CCN(C(=O)Cc3cnc[nH]3)CC2)cc1-c1nn[n-]n1 ZINC001571198976 952995290 /nfs/dbraw/zinc/99/52/90/952995290.db2.gz JJBOFDJFFBPNDJ-UHFFFAOYSA-N -1 3 382.428 0.485 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC(N(C)C(=O)Cn2ccnc2)C1 ZINC001571199130 952996137 /nfs/dbraw/zinc/99/61/37/952996137.db2.gz MEJRVCYZJZTSOO-UHFFFAOYSA-N -1 3 382.428 0.415 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H]2C)ccn1C ZINC001571199262 952998197 /nfs/dbraw/zinc/99/81/97/952998197.db2.gz OSGNXESRWWKDSI-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H]2C)ccn1C ZINC001571199262 952998202 /nfs/dbraw/zinc/99/82/02/952998202.db2.gz OSGNXESRWWKDSI-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)ccn1C ZINC001571199615 953002115 /nfs/dbraw/zinc/00/21/15/953002115.db2.gz WQBXCOSNQHPUQF-HAQNSBGRSA-N -1 3 382.428 0.780 20 0 GCADHM Cc1c(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)ccn1C ZINC001571199615 953002118 /nfs/dbraw/zinc/00/21/18/953002118.db2.gz WQBXCOSNQHPUQF-HAQNSBGRSA-N -1 3 382.428 0.780 20 0 GCADHM CCc1c(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)ccn1C ZINC001571199678 953003259 /nfs/dbraw/zinc/00/32/59/953003259.db2.gz YVATZURHGHPYLB-GDBMZVCRSA-N -1 3 382.428 0.142 20 0 GCADHM CCc1c(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)ccn1C ZINC001571199678 953003262 /nfs/dbraw/zinc/00/32/62/953003262.db2.gz YVATZURHGHPYLB-GDBMZVCRSA-N -1 3 382.428 0.142 20 0 GCADHM Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1C ZINC001571200028 953006545 /nfs/dbraw/zinc/00/65/45/953006545.db2.gz AAZZZHTWQZBONM-CYBMUJFWSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1C ZINC001571200028 953006551 /nfs/dbraw/zinc/00/65/51/953006551.db2.gz AAZZZHTWQZBONM-CYBMUJFWSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)c(C)[nH]1 ZINC001571200468 953008763 /nfs/dbraw/zinc/00/87/63/953008763.db2.gz CIUQFSXWCNSQCF-GJZGRUSLSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)c(C)[nH]1 ZINC001571200468 953008768 /nfs/dbraw/zinc/00/87/68/953008768.db2.gz CIUQFSXWCNSQCF-GJZGRUSLSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1C ZINC001571201054 953013833 /nfs/dbraw/zinc/01/38/33/953013833.db2.gz IYVXSTJPJIQNQC-ZDUSSCGKSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1C ZINC001571201054 953013839 /nfs/dbraw/zinc/01/38/39/953013839.db2.gz IYVXSTJPJIQNQC-ZDUSSCGKSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571201426 953017115 /nfs/dbraw/zinc/01/71/15/953017115.db2.gz PWKCCRDPNXBLNP-FZMZJTMJSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571201426 953017119 /nfs/dbraw/zinc/01/71/19/953017119.db2.gz PWKCCRDPNXBLNP-FZMZJTMJSA-N -1 3 382.428 0.956 20 0 GCADHM Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1C ZINC001571201368 953017765 /nfs/dbraw/zinc/01/77/65/953017765.db2.gz LDPOWBPCETZKRZ-NSHDSACASA-N -1 3 382.428 0.732 20 0 GCADHM Cc1ccc(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1C ZINC001571201368 953017769 /nfs/dbraw/zinc/01/77/69/953017769.db2.gz LDPOWBPCETZKRZ-NSHDSACASA-N -1 3 382.428 0.732 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571202139 953023040 /nfs/dbraw/zinc/02/30/40/953023040.db2.gz REAJJZZDZUBBNV-NEPJUHHUSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571202139 953023044 /nfs/dbraw/zinc/02/30/44/953023044.db2.gz REAJJZZDZUBBNV-NEPJUHHUSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571202124 953023053 /nfs/dbraw/zinc/02/30/53/953023053.db2.gz RDSLPIJVAJFLMT-CABCVRRESA-N -1 3 382.428 0.576 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571202124 953023056 /nfs/dbraw/zinc/02/30/56/953023056.db2.gz RDSLPIJVAJFLMT-CABCVRRESA-N -1 3 382.428 0.576 20 0 GCADHM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001571204656 953031489 /nfs/dbraw/zinc/03/14/89/953031489.db2.gz CAPZZDAAMDBLHX-RYUDHWBXSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001571204656 953031498 /nfs/dbraw/zinc/03/14/98/953031498.db2.gz CAPZZDAAMDBLHX-RYUDHWBXSA-N -1 3 382.432 0.662 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571204715 953032113 /nfs/dbraw/zinc/03/21/13/953032113.db2.gz CSONJALVUJCOPA-SJBDTSRBSA-N -1 3 382.428 0.001 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571204715 953032120 /nfs/dbraw/zinc/03/21/20/953032120.db2.gz CSONJALVUJCOPA-SJBDTSRBSA-N -1 3 382.428 0.001 20 0 GCADHM CCc1c[nH]c(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001571204858 953034136 /nfs/dbraw/zinc/03/41/36/953034136.db2.gz DFPZHJULVWWGDS-PWSUYJOCSA-N -1 3 382.432 0.268 20 0 GCADHM CCCc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571205137 953036370 /nfs/dbraw/zinc/03/63/70/953036370.db2.gz FZQNMQMJRZKSON-QMTHXVAHSA-N -1 3 382.432 0.905 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@@H](N(C)c3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001571205168 953036473 /nfs/dbraw/zinc/03/64/73/953036473.db2.gz GUVNGZMIMAVAIG-GFCCVEGCSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@@H](N(C)c3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001571205168 953036476 /nfs/dbraw/zinc/03/64/76/953036476.db2.gz GUVNGZMIMAVAIG-GFCCVEGCSA-N -1 3 382.432 0.614 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571205465 953038713 /nfs/dbraw/zinc/03/87/13/953038713.db2.gz JLQSLVSRKHIQPS-YPMHNXCESA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571205690 953041146 /nfs/dbraw/zinc/04/11/46/953041146.db2.gz MZARLQGXJDKKJY-ABAIWWIYSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571205690 953041151 /nfs/dbraw/zinc/04/11/51/953041151.db2.gz MZARLQGXJDKKJY-ABAIWWIYSA-N -1 3 382.432 0.282 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@H](C)C2)nnn1C ZINC001571205765 953042429 /nfs/dbraw/zinc/04/24/29/953042429.db2.gz AMPWPDCXPXBMEH-ZWNOBZJWSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@H](C)C2)nnn1C ZINC001571205765 953042434 /nfs/dbraw/zinc/04/24/34/953042434.db2.gz AMPWPDCXPXBMEH-ZWNOBZJWSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@@H](C)C2)nnn1C ZINC001571205760 953042673 /nfs/dbraw/zinc/04/26/73/953042673.db2.gz AMPWPDCXPXBMEH-GWCFXTLKSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@@H](C)C2)nnn1C ZINC001571205760 953042677 /nfs/dbraw/zinc/04/26/77/953042677.db2.gz AMPWPDCXPXBMEH-GWCFXTLKSA-N -1 3 382.432 0.661 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571205901 953043459 /nfs/dbraw/zinc/04/34/59/953043459.db2.gz NWPWXCUZVRZEDS-RYUDHWBXSA-N -1 3 382.432 0.662 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571205877 953044071 /nfs/dbraw/zinc/04/40/71/953044071.db2.gz CSNCLLUOIMFHKL-VXGBXAGGSA-N -1 3 382.432 0.628 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571205877 953044074 /nfs/dbraw/zinc/04/40/74/953044074.db2.gz CSNCLLUOIMFHKL-VXGBXAGGSA-N -1 3 382.432 0.628 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCn1cncn1 ZINC001571205905 953044147 /nfs/dbraw/zinc/04/41/47/953044147.db2.gz NXWADIKSHVFPBF-GXTWGEPZSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCn1cncn1 ZINC001571205905 953044150 /nfs/dbraw/zinc/04/41/50/953044150.db2.gz NXWADIKSHVFPBF-GXTWGEPZSA-N -1 3 382.432 0.735 20 0 GCADHM Cc1nc[nH]c1C(=O)N1CC[C@@](C)(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571205854 953044160 /nfs/dbraw/zinc/04/41/60/953044160.db2.gz CDFVCCYLHFDNJR-KRWDZBQOSA-N -1 3 382.432 0.961 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571205986 953044803 /nfs/dbraw/zinc/04/48/03/953044803.db2.gz QEPCWDOWESCWRP-CHWSQXEVSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2cncn2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571206025 953046138 /nfs/dbraw/zinc/04/61/38/953046138.db2.gz QYBAZZOGNKSXSL-TZMCWYRMSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2cncn2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571206025 953046139 /nfs/dbraw/zinc/04/61/39/953046139.db2.gz QYBAZZOGNKSXSL-TZMCWYRMSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H]1CN(C(=O)CCn2cncn2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571206023 953046392 /nfs/dbraw/zinc/04/63/92/953046392.db2.gz QYBAZZOGNKSXSL-JSGCOSHPSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H]1CN(C(=O)CCn2cncn2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571206023 953046398 /nfs/dbraw/zinc/04/63/98/953046398.db2.gz QYBAZZOGNKSXSL-JSGCOSHPSA-N -1 3 382.432 0.592 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571206143 953046985 /nfs/dbraw/zinc/04/69/85/953046985.db2.gz DPWLNOWXPXFAQP-NWDGAFQWSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571206143 953046989 /nfs/dbraw/zinc/04/69/89/953046989.db2.gz DPWLNOWXPXFAQP-NWDGAFQWSA-N -1 3 382.432 0.836 20 0 GCADHM O=C(c1ccc[nH]1)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571206254 953049621 /nfs/dbraw/zinc/04/96/21/953049621.db2.gz NQCRDTQCJNURRY-CQSZACIVSA-N -1 3 382.428 0.693 20 0 GCADHM O=C(c1ccc[nH]1)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571206254 953049626 /nfs/dbraw/zinc/04/96/26/953049626.db2.gz NQCRDTQCJNURRY-CQSZACIVSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571206367 953050012 /nfs/dbraw/zinc/05/00/12/953050012.db2.gz UIRGYQZUCRPDNB-RYUDHWBXSA-N -1 3 382.432 0.139 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nnn1C(C)C ZINC001571206495 953051925 /nfs/dbraw/zinc/05/19/25/953051925.db2.gz HMIMKDSRGLBMOA-ZDUSSCGKSA-N -1 3 382.432 0.751 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nnn1C(C)C ZINC001571206495 953051930 /nfs/dbraw/zinc/05/19/30/953051930.db2.gz HMIMKDSRGLBMOA-ZDUSSCGKSA-N -1 3 382.432 0.751 20 0 GCADHM O=C(c1cc[nH]c1)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571206621 953053000 /nfs/dbraw/zinc/05/30/00/953053000.db2.gz SADWRJRTFSUVFN-HNNXBMFYSA-N -1 3 382.428 0.693 20 0 GCADHM O=C(c1cc[nH]c1)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571206621 953053006 /nfs/dbraw/zinc/05/30/06/953053006.db2.gz SADWRJRTFSUVFN-HNNXBMFYSA-N -1 3 382.428 0.693 20 0 GCADHM CN(C[C@H]1CCN(C(=O)CCn2cncn2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571206591 953053225 /nfs/dbraw/zinc/05/32/25/953053225.db2.gz IKKLOPGNNWHIHE-CYBMUJFWSA-N -1 3 382.432 0.228 20 0 GCADHM CN(C[C@H]1CCN(C(=O)CCn2cncn2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571206591 953053227 /nfs/dbraw/zinc/05/32/27/953053227.db2.gz IKKLOPGNNWHIHE-CYBMUJFWSA-N -1 3 382.432 0.228 20 0 GCADHM Cc1[nH]nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)c1C ZINC001571206706 953054372 /nfs/dbraw/zinc/05/43/72/953054372.db2.gz JPYVQTUQSAABGH-JOYOIKCWSA-N -1 3 382.432 0.784 20 0 GCADHM CCn1nccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001571206788 953054890 /nfs/dbraw/zinc/05/48/90/953054890.db2.gz KRJGMLUHFVRRHW-VXGBXAGGSA-N -1 3 382.432 0.978 20 0 GCADHM CCn1nccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571206788 953054894 /nfs/dbraw/zinc/05/48/94/953054894.db2.gz KRJGMLUHFVRRHW-VXGBXAGGSA-N -1 3 382.432 0.978 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2nccn2CC)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571206785 953055204 /nfs/dbraw/zinc/05/52/04/953055204.db2.gz XIVXEROABAFEEJ-NWDGAFQWSA-N -1 3 382.432 0.660 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2nccn2CC)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571206785 953055206 /nfs/dbraw/zinc/05/52/06/953055206.db2.gz XIVXEROABAFEEJ-NWDGAFQWSA-N -1 3 382.432 0.660 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2C)CCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001571206715 953055355 /nfs/dbraw/zinc/05/53/55/953055355.db2.gz WSGGUYYUNYHPTN-QWHCGFSZSA-N -1 3 382.432 0.335 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2C)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571206715 953055361 /nfs/dbraw/zinc/05/53/61/953055361.db2.gz WSGGUYYUNYHPTN-QWHCGFSZSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@H]2C)nnn1C ZINC001571206776 953055491 /nfs/dbraw/zinc/05/54/91/953055491.db2.gz KOMLPJCLFYUFRF-ZWNOBZJWSA-N -1 3 382.432 0.804 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@H]2C)nnn1C ZINC001571206776 953055502 /nfs/dbraw/zinc/05/55/02/953055502.db2.gz KOMLPJCLFYUFRF-ZWNOBZJWSA-N -1 3 382.432 0.804 20 0 GCADHM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001571206865 953056024 /nfs/dbraw/zinc/05/60/24/953056024.db2.gz YJPHJGUUKGZBCE-NWDGAFQWSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001571206865 953056028 /nfs/dbraw/zinc/05/60/28/953056028.db2.gz YJPHJGUUKGZBCE-NWDGAFQWSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001571206868 953056143 /nfs/dbraw/zinc/05/61/43/953056143.db2.gz YJPHJGUUKGZBCE-VXGBXAGGSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001571206868 953056145 /nfs/dbraw/zinc/05/61/45/953056145.db2.gz YJPHJGUUKGZBCE-VXGBXAGGSA-N -1 3 382.432 0.662 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]2C)n1 ZINC001571206805 953056290 /nfs/dbraw/zinc/05/62/90/953056290.db2.gz KUAPKUYPOPBYLZ-JQWIXIFHSA-N -1 3 382.432 0.899 20 0 GCADHM Cn1cccc1C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571206904 953057071 /nfs/dbraw/zinc/05/70/71/953057071.db2.gz SQRNZJCYSVHXGB-DGCLKSJQSA-N -1 3 382.428 0.862 20 0 GCADHM Cn1cccc1C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571206904 953057075 /nfs/dbraw/zinc/05/70/75/953057075.db2.gz SQRNZJCYSVHXGB-DGCLKSJQSA-N -1 3 382.428 0.862 20 0 GCADHM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206988 953057955 /nfs/dbraw/zinc/05/79/55/953057955.db2.gz YZQZYCWJCFNRAE-JSGCOSHPSA-N -1 3 382.432 0.592 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cnc2C)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571207000 953058301 /nfs/dbraw/zinc/05/83/01/953058301.db2.gz ZFLBQVLJGDNFSE-SMDDNHRTSA-N -1 3 382.432 0.404 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cnc2C)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571207000 953058305 /nfs/dbraw/zinc/05/83/05/953058305.db2.gz ZFLBQVLJGDNFSE-SMDDNHRTSA-N -1 3 382.432 0.404 20 0 GCADHM CCc1c[nH]c(CC(=O)N2C[C@H](Nc3cnc(-c4nnn[n-]4)cn3)[C@@H](C)C2)n1 ZINC001571206995 953058522 /nfs/dbraw/zinc/05/85/22/953058522.db2.gz ZBUVFBAMDGKEFJ-GWCFXTLKSA-N -1 3 382.432 0.444 20 0 GCADHM O=C(Cc1ccc[nH]1)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571207114 953059646 /nfs/dbraw/zinc/05/96/46/953059646.db2.gz VXDOWJMUOUJTBF-CHWSQXEVSA-N -1 3 382.428 0.923 20 0 GCADHM O=C(Cc1ccc[nH]1)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571207114 953059650 /nfs/dbraw/zinc/05/96/50/953059650.db2.gz VXDOWJMUOUJTBF-CHWSQXEVSA-N -1 3 382.428 0.923 20 0 GCADHM CCn1cc(C(=O)NC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C)nn1 ZINC001571207192 953059783 /nfs/dbraw/zinc/05/97/83/953059783.db2.gz OPOYOHFVVYUHIG-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM CCn1cc(C(=O)NC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C)nn1 ZINC001571207192 953059786 /nfs/dbraw/zinc/05/97/86/953059786.db2.gz OPOYOHFVVYUHIG-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ncccc1-c1nnn[n-]1)CC2)[C@@H]1CCC(=O)N1 ZINC001571207186 953059953 /nfs/dbraw/zinc/05/99/53/953059953.db2.gz WTKQMMYCDYWZLX-STQMWFEESA-N -1 3 382.428 0.015 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ncccc1-c1nn[n-]n1)CC2)[C@@H]1CCC(=O)N1 ZINC001571207186 953059955 /nfs/dbraw/zinc/05/99/55/953059955.db2.gz WTKQMMYCDYWZLX-STQMWFEESA-N -1 3 382.428 0.015 20 0 GCADHM CCn1nncc1C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001571207317 953061809 /nfs/dbraw/zinc/06/18/09/953061809.db2.gz QOCNMGCNJPJXQT-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM CCn1nncc1C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001571207317 953061812 /nfs/dbraw/zinc/06/18/12/953061812.db2.gz QOCNMGCNJPJXQT-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C(C)(C)c2c[nH]cn2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571207429 953062874 /nfs/dbraw/zinc/06/28/74/953062874.db2.gz RMIUDZGLHKSOJP-MNOVXSKESA-N -1 3 382.432 0.441 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C)n1 ZINC001571207647 953064985 /nfs/dbraw/zinc/06/49/85/953064985.db2.gz ZABLDWSWIFUSGB-QMTHXVAHSA-N -1 3 382.432 0.200 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571207621 953065138 /nfs/dbraw/zinc/06/51/38/953065138.db2.gz YDDAPLRYTGHRRG-CHWSQXEVSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571207621 953065142 /nfs/dbraw/zinc/06/51/42/953065142.db2.gz YDDAPLRYTGHRRG-CHWSQXEVSA-N -1 3 382.432 0.450 20 0 GCADHM O=C(Cn1ccnc1)N1CCC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571209922 953068521 /nfs/dbraw/zinc/06/85/21/953068521.db2.gz ISXPKPLMDYOIAT-ZDUSSCGKSA-N -1 3 382.432 0.594 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2nnc3n2CCCC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571209982 953069519 /nfs/dbraw/zinc/06/95/19/953069519.db2.gz KRGANRCYDKQXAV-GFCCVEGCSA-N -1 3 382.432 0.127 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2nnc3n2CCCC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571209982 953069521 /nfs/dbraw/zinc/06/95/21/953069521.db2.gz KRGANRCYDKQXAV-GFCCVEGCSA-N -1 3 382.432 0.127 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571211411 953076308 /nfs/dbraw/zinc/07/63/08/953076308.db2.gz ADRGABNFAWQMKR-WCQYABFASA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571211411 953076310 /nfs/dbraw/zinc/07/63/10/953076310.db2.gz ADRGABNFAWQMKR-WCQYABFASA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nnc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1C1CC1 ZINC001571211495 953077661 /nfs/dbraw/zinc/07/76/61/953077661.db2.gz BUQAMIBFSKZEIN-GFCCVEGCSA-N -1 3 382.432 0.434 20 0 GCADHM Cn1c(CN2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nnc1C1CCC1 ZINC001571211477 953077720 /nfs/dbraw/zinc/07/77/20/953077720.db2.gz BLCVBRZQLNEVRQ-UHFFFAOYSA-N -1 3 382.432 0.205 20 0 GCADHM Cn1c(CN2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nnc1C1CCC1 ZINC001571211477 953077721 /nfs/dbraw/zinc/07/77/21/953077721.db2.gz BLCVBRZQLNEVRQ-UHFFFAOYSA-N -1 3 382.432 0.205 20 0 GCADHM Cn1cnnc1CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571211623 953078431 /nfs/dbraw/zinc/07/84/31/953078431.db2.gz CUZIOJRMSVUKLF-UONOGXRCSA-N -1 3 382.432 0.202 20 0 GCADHM Cn1cnnc1CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571211623 953078434 /nfs/dbraw/zinc/07/84/34/953078434.db2.gz CUZIOJRMSVUKLF-UONOGXRCSA-N -1 3 382.432 0.202 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571212194 953085529 /nfs/dbraw/zinc/08/55/29/953085529.db2.gz KUSKLPXDFWPAQS-YPMHNXCESA-N -1 3 382.432 0.335 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571212194 953085532 /nfs/dbraw/zinc/08/55/32/953085532.db2.gz KUSKLPXDFWPAQS-YPMHNXCESA-N -1 3 382.432 0.335 20 0 GCADHM Nc1sc2c(c1-c1nnn[n-]1)CCN(C(=O)[C@H]1CCCCS1(=O)=O)C2 ZINC001571212217 953085872 /nfs/dbraw/zinc/08/58/72/953085872.db2.gz JILUZEDVSYQYOY-SNVBAGLBSA-N -1 3 382.471 0.362 20 0 GCADHM Nc1sc2c(c1-c1nn[n-]n1)CCN(C(=O)[C@H]1CCCCS1(=O)=O)C2 ZINC001571212217 953085878 /nfs/dbraw/zinc/08/58/78/953085878.db2.gz JILUZEDVSYQYOY-SNVBAGLBSA-N -1 3 382.471 0.362 20 0 GCADHM Cc1nc(C(=O)N2CCCC[C@@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)c[nH]1 ZINC001571212313 953086678 /nfs/dbraw/zinc/08/66/78/953086678.db2.gz LLDDGINFQLATPZ-GFCCVEGCSA-N -1 3 382.432 0.819 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571212385 953088385 /nfs/dbraw/zinc/08/83/85/953088385.db2.gz NGNUYECFGSXOGS-CYBMUJFWSA-N -1 3 382.432 0.569 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2CCCCCN2c2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571212385 953088389 /nfs/dbraw/zinc/08/83/89/953088389.db2.gz NGNUYECFGSXOGS-CYBMUJFWSA-N -1 3 382.432 0.569 20 0 GCADHM Cc1nnc(CC(=O)N(C)[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571212783 953090092 /nfs/dbraw/zinc/09/00/92/953090092.db2.gz PBXBCVKKUSJARV-LBPRGKRZSA-N -1 3 382.432 0.276 20 0 GCADHM Cc1nnc(CC(=O)N(C)[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571212783 953090095 /nfs/dbraw/zinc/09/00/95/953090095.db2.gz PBXBCVKKUSJARV-LBPRGKRZSA-N -1 3 382.432 0.276 20 0 GCADHM Cc1nc(N[C@H](C)[C@H]2CCN(C(=O)Cn3cncn3)C2)ccc1-c1nnn[n-]1 ZINC001571212837 953090449 /nfs/dbraw/zinc/09/04/49/953090449.db2.gz PNTSVYONUUKSLP-YPMHNXCESA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nc(N[C@H](C)[C@H]2CCN(C(=O)Cn3cncn3)C2)ccc1-c1nn[n-]n1 ZINC001571212837 953090453 /nfs/dbraw/zinc/09/04/53/953090453.db2.gz PNTSVYONUUKSLP-YPMHNXCESA-N -1 3 382.432 0.511 20 0 GCADHM Cn1cc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001571213126 953092682 /nfs/dbraw/zinc/09/26/82/953092682.db2.gz RCFDIRQJMVYBCG-OLZOCXBDSA-N -1 3 382.432 0.202 20 0 GCADHM Cn1cc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001571213126 953092684 /nfs/dbraw/zinc/09/26/84/953092684.db2.gz RCFDIRQJMVYBCG-OLZOCXBDSA-N -1 3 382.432 0.202 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](CNc3ncccc3-c3nnn[n-]3)[C@H](C)C2)[nH]1 ZINC001571213800 953097678 /nfs/dbraw/zinc/09/76/78/953097678.db2.gz VXFBKQFLZVLIAM-ZYHUDNBSSA-N -1 3 382.432 0.437 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](CNc3ncccc3-c3nn[n-]n3)[C@H](C)C2)[nH]1 ZINC001571213800 953097680 /nfs/dbraw/zinc/09/76/80/953097680.db2.gz VXFBKQFLZVLIAM-ZYHUDNBSSA-N -1 3 382.432 0.437 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@@H](C)[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571213834 953097697 /nfs/dbraw/zinc/09/76/97/953097697.db2.gz XLXOTTPAXYWSGO-PWSUYJOCSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571214255 953100517 /nfs/dbraw/zinc/10/05/17/953100517.db2.gz ZQXIJJWGTKKOMZ-DGCLKSJQSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571214255 953100518 /nfs/dbraw/zinc/10/05/18/953100518.db2.gz ZQXIJJWGTKKOMZ-DGCLKSJQSA-N -1 3 382.432 0.335 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001571214152 953100796 /nfs/dbraw/zinc/10/07/96/953100796.db2.gz YPYTZTDOPIOLRZ-AAEUAGOBSA-N -1 3 382.432 0.791 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001571214152 953100800 /nfs/dbraw/zinc/10/08/00/953100800.db2.gz YPYTZTDOPIOLRZ-AAEUAGOBSA-N -1 3 382.432 0.791 20 0 GCADHM Cc1cncn1CC(=O)N1CCC(C)(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571214160 953100906 /nfs/dbraw/zinc/10/09/06/953100906.db2.gz YQKROLJAVQPROM-UHFFFAOYSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1cncn1CC(=O)N1CCC(C)(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571214160 953100907 /nfs/dbraw/zinc/10/09/07/953100907.db2.gz YQKROLJAVQPROM-UHFFFAOYSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571214259 953100961 /nfs/dbraw/zinc/10/09/61/953100961.db2.gz ZQXIJJWGTKKOMZ-YPMHNXCESA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571214259 953100965 /nfs/dbraw/zinc/10/09/65/953100965.db2.gz ZQXIJJWGTKKOMZ-YPMHNXCESA-N -1 3 382.432 0.335 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2ncccn2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571217083 953105642 /nfs/dbraw/zinc/10/56/42/953105642.db2.gz GEQOXAQBCZQBSX-PWSUYJOCSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2ncccn2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571217083 953105644 /nfs/dbraw/zinc/10/56/44/953105644.db2.gz GEQOXAQBCZQBSX-PWSUYJOCSA-N -1 3 383.391 0.978 20 0 GCADHM O=C(NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)c1cccc(=O)[nH]1 ZINC001571217274 953106373 /nfs/dbraw/zinc/10/63/73/953106373.db2.gz HPXSUDLPGYUCHF-UHFFFAOYSA-N -1 3 383.387 0.968 20 0 GCADHM C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001571217562 953108897 /nfs/dbraw/zinc/10/88/97/953108897.db2.gz NPADVAAYPIYKDR-CABZTGNLSA-N -1 3 383.391 0.951 20 0 GCADHM C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001571217562 953108903 /nfs/dbraw/zinc/10/89/03/953108903.db2.gz NPADVAAYPIYKDR-CABZTGNLSA-N -1 3 383.391 0.951 20 0 GCADHM Cc1cc(F)ccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001571217858 953110791 /nfs/dbraw/zinc/11/07/91/953110791.db2.gz QQNDDAJHVJBVED-HZPDHXFCSA-N -1 3 383.387 0.689 20 0 GCADHM Cc1cc(F)ccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001571217858 953110795 /nfs/dbraw/zinc/11/07/95/953110795.db2.gz QQNDDAJHVJBVED-HZPDHXFCSA-N -1 3 383.387 0.689 20 0 GCADHM O=C(CN1CCCC1)N[C@@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571217993 953111743 /nfs/dbraw/zinc/11/17/43/953111743.db2.gz KGZOSYSIZYFXJN-SECBINFHSA-N -1 3 382.881 0.767 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)[C@H](F)c1ccccc1 ZINC001571218731 953118765 /nfs/dbraw/zinc/11/87/65/953118765.db2.gz ZVTIDIIKNTYXON-RBSFLKMASA-N -1 3 383.387 0.638 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)[C@H](F)c1ccccc1 ZINC001571218731 953118767 /nfs/dbraw/zinc/11/87/67/953118767.db2.gz ZVTIDIIKNTYXON-RBSFLKMASA-N -1 3 383.387 0.638 20 0 GCADHM NC(=O)N[C@@H](CO)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001571218766 953119037 /nfs/dbraw/zinc/11/90/37/953119037.db2.gz QOKKFJKFZBFKES-AWEZNQCLSA-N -1 3 383.368 0.627 20 0 GCADHM NC(=O)N[C@@H](CO)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001571218766 953119043 /nfs/dbraw/zinc/11/90/43/953119043.db2.gz QOKKFJKFZBFKES-AWEZNQCLSA-N -1 3 383.368 0.627 20 0 GCADHM CCc1nc(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[n-]n3)C[C@H]2O)co1 ZINC001571218843 953119408 /nfs/dbraw/zinc/11/94/08/953119408.db2.gz FIFPQXMEYDTIPH-UKRRQHHQSA-N -1 3 383.412 0.392 20 0 GCADHM COc1cccc([C@H](O)CN2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571218958 953120724 /nfs/dbraw/zinc/12/07/24/953120724.db2.gz HYNSVHDKBCIVMF-MRXNPFEDSA-N -1 3 383.412 0.351 20 0 GCADHM COc1cccc([C@H](O)CN2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571218958 953120726 /nfs/dbraw/zinc/12/07/26/953120726.db2.gz HYNSVHDKBCIVMF-MRXNPFEDSA-N -1 3 383.412 0.351 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2O)no1 ZINC001571218948 953120736 /nfs/dbraw/zinc/12/07/36/953120736.db2.gz HRWIILYZSWYDCP-CVEARBPZSA-N -1 3 383.412 0.392 20 0 GCADHM CN1CCC[C@@H]1C(=O)N[C@H]1CCN(c2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571219088 953122839 /nfs/dbraw/zinc/12/28/39/953122839.db2.gz UWENSGMEMJVFMG-DTWKUNHWSA-N -1 3 382.881 0.766 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2)c1n[nH]cc1F ZINC001571219998 953128229 /nfs/dbraw/zinc/12/82/29/953128229.db2.gz WQCMPIOHBDEBKG-ZDUSSCGKSA-N -1 3 383.391 0.913 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2)c1n[nH]cc1F ZINC001571219998 953128233 /nfs/dbraw/zinc/12/82/33/953128233.db2.gz WQCMPIOHBDEBKG-ZDUSSCGKSA-N -1 3 383.391 0.913 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)[C@@H]2C)cnn1 ZINC001571219960 953128554 /nfs/dbraw/zinc/12/85/54/953128554.db2.gz VDZATICASISCMR-YGRLFVJLSA-N -1 3 383.391 0.896 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)[C@@H]2C)cnn1 ZINC001571219960 953128556 /nfs/dbraw/zinc/12/85/56/953128556.db2.gz VDZATICASISCMR-YGRLFVJLSA-N -1 3 383.391 0.896 20 0 GCADHM Cn1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(-c3nnn[n-]3)cc2F)n1 ZINC001571219962 953128916 /nfs/dbraw/zinc/12/89/16/953128916.db2.gz VJORRSCJMQKTQV-STQMWFEESA-N -1 3 383.391 0.167 20 0 GCADHM Cn1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(-c3nn[n-]n3)cc2F)n1 ZINC001571219962 953128925 /nfs/dbraw/zinc/12/89/25/953128925.db2.gz VJORRSCJMQKTQV-STQMWFEESA-N -1 3 383.391 0.167 20 0 GCADHM COc1ccc(CN2CCN(C(=O)Cc3ccon3)CC2)cc1-c1nnn[n-]1 ZINC001571220135 953129694 /nfs/dbraw/zinc/12/96/94/953129694.db2.gz XWYHOAVZULONRX-UHFFFAOYSA-N -1 3 383.412 0.750 20 0 GCADHM COc1ccc(CN2CCN(C(=O)Cc3ccon3)CC2)cc1-c1nn[n-]n1 ZINC001571220135 953129699 /nfs/dbraw/zinc/12/96/99/953129699.db2.gz XWYHOAVZULONRX-UHFFFAOYSA-N -1 3 383.412 0.750 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)[C@H](C)c3ccco3)[C@@H](O)C2)n1 ZINC001571222053 953131022 /nfs/dbraw/zinc/13/10/22/953131022.db2.gz AVKZIBBKOBQBKX-BNOWGMLFSA-N -1 3 383.412 0.633 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)[C@H](C)c3ccco3)[C@@H](O)C2)n1 ZINC001571222053 953131025 /nfs/dbraw/zinc/13/10/25/953131025.db2.gz AVKZIBBKOBQBKX-BNOWGMLFSA-N -1 3 383.412 0.633 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(c1ncccc1-c1nnn[n-]1)CC2)C1=COCCO1 ZINC001571222133 953131163 /nfs/dbraw/zinc/13/11/63/953131163.db2.gz CWXFMUSJIKZOBL-KSSFIOAISA-N -1 3 383.412 0.768 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(c1ncccc1-c1nn[n-]n1)CC2)C1=COCCO1 ZINC001571222133 953131165 /nfs/dbraw/zinc/13/11/65/953131165.db2.gz CWXFMUSJIKZOBL-KSSFIOAISA-N -1 3 383.412 0.768 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571222141 953131461 /nfs/dbraw/zinc/13/14/61/953131461.db2.gz CZCLGVZOHVPRJD-QWRGUYRKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571222141 953131464 /nfs/dbraw/zinc/13/14/64/953131464.db2.gz CZCLGVZOHVPRJD-QWRGUYRKSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571222259 953132095 /nfs/dbraw/zinc/13/20/95/953132095.db2.gz BNPPMYKAWKNGMP-YMTOWFKASA-N -1 3 383.416 0.046 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571222329 953133264 /nfs/dbraw/zinc/13/32/64/953133264.db2.gz DRSXXKTYSASKBG-LLVKDONJSA-N -1 3 383.416 0.509 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571222329 953133268 /nfs/dbraw/zinc/13/32/68/953133268.db2.gz DRSXXKTYSASKBG-LLVKDONJSA-N -1 3 383.416 0.509 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)c1ccnn1C ZINC001571222309 953133325 /nfs/dbraw/zinc/13/33/25/953133325.db2.gz GGHIGJMYPOCFCJ-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)c1ccnn1C ZINC001571222309 953133327 /nfs/dbraw/zinc/13/33/27/953133327.db2.gz GGHIGJMYPOCFCJ-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)c1ccnn1C ZINC001571222311 953133435 /nfs/dbraw/zinc/13/34/35/953133435.db2.gz GGHIGJMYPOCFCJ-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)c1ccnn1C ZINC001571222311 953133438 /nfs/dbraw/zinc/13/34/38/953133438.db2.gz GGHIGJMYPOCFCJ-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM CN(C)Cc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC001571222293 953133595 /nfs/dbraw/zinc/13/35/95/953133595.db2.gz DJQDHUUJGWSNRV-LBPRGKRZSA-N -1 3 383.416 0.638 20 0 GCADHM CN(C)Cc1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC001571222293 953133597 /nfs/dbraw/zinc/13/35/97/953133597.db2.gz DJQDHUUJGWSNRV-LBPRGKRZSA-N -1 3 383.416 0.638 20 0 GCADHM COc1c(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571222429 953134827 /nfs/dbraw/zinc/13/48/27/953134827.db2.gz FFPDMCUNYWRCAS-LBPRGKRZSA-N -1 3 383.416 0.721 20 0 GCADHM COc1c(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571222429 953134829 /nfs/dbraw/zinc/13/48/29/953134829.db2.gz FFPDMCUNYWRCAS-LBPRGKRZSA-N -1 3 383.416 0.721 20 0 GCADHM Cc1n[nH]cc1C(=O)NCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571222502 953134831 /nfs/dbraw/zinc/13/48/31/953134831.db2.gz GWHVHSWZKFHYMA-UHFFFAOYSA-N -1 3 383.416 0.509 20 0 GCADHM Cc1n[nH]cc1C(=O)NCC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571222502 953134832 /nfs/dbraw/zinc/13/48/32/953134832.db2.gz GWHVHSWZKFHYMA-UHFFFAOYSA-N -1 3 383.416 0.509 20 0 GCADHM COc1c(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571222428 953134911 /nfs/dbraw/zinc/13/49/11/953134911.db2.gz FFPDMCUNYWRCAS-GFCCVEGCSA-N -1 3 383.416 0.721 20 0 GCADHM COc1c(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571222428 953134914 /nfs/dbraw/zinc/13/49/14/953134914.db2.gz FFPDMCUNYWRCAS-GFCCVEGCSA-N -1 3 383.416 0.721 20 0 GCADHM COc1nn(C)cc1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571222437 953135108 /nfs/dbraw/zinc/13/51/08/953135108.db2.gz FQEILPDGHWYPKG-LBPRGKRZSA-N -1 3 383.416 0.721 20 0 GCADHM COc1nn(C)cc1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571222437 953135114 /nfs/dbraw/zinc/13/51/14/953135114.db2.gz FQEILPDGHWYPKG-LBPRGKRZSA-N -1 3 383.416 0.721 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccnn1C ZINC001571222518 953135608 /nfs/dbraw/zinc/13/56/08/953135608.db2.gz IDGAHSVSZZPICY-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccnn1C ZINC001571222518 953135612 /nfs/dbraw/zinc/13/56/12/953135612.db2.gz IDGAHSVSZZPICY-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM CCn1nccc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222515 953135787 /nfs/dbraw/zinc/13/57/87/953135787.db2.gz HHCHLSLEEQWKHC-LBPRGKRZSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1nccc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222515 953135789 /nfs/dbraw/zinc/13/57/89/953135789.db2.gz HHCHLSLEEQWKHC-LBPRGKRZSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccnn1C ZINC001571222520 953135861 /nfs/dbraw/zinc/13/58/61/953135861.db2.gz IDGAHSVSZZPICY-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccnn1C ZINC001571222520 953135862 /nfs/dbraw/zinc/13/58/62/953135862.db2.gz IDGAHSVSZZPICY-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM CN(CCOc1cccc(-c2nnn[n-]2)c1)Cc1nnc2n1CCN(C)C2=O ZINC001571222669 953137358 /nfs/dbraw/zinc/13/73/58/953137358.db2.gz IMDOEXUWZPCTQM-UHFFFAOYSA-N -1 3 383.416 0.055 20 0 GCADHM CN(CCOc1cccc(-c2nn[n-]n2)c1)Cc1nnc2n1CCN(C)C2=O ZINC001571222669 953137361 /nfs/dbraw/zinc/13/73/61/953137361.db2.gz IMDOEXUWZPCTQM-UHFFFAOYSA-N -1 3 383.416 0.055 20 0 GCADHM COc1nn(C)cc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571222690 953137544 /nfs/dbraw/zinc/13/75/44/953137544.db2.gz JGEMEMOCHWRZBP-LLVKDONJSA-N -1 3 383.416 0.639 20 0 GCADHM COc1nn(C)cc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571222690 953137548 /nfs/dbraw/zinc/13/75/48/953137548.db2.gz JGEMEMOCHWRZBP-LLVKDONJSA-N -1 3 383.416 0.639 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)n1 ZINC001571222667 953137787 /nfs/dbraw/zinc/13/77/87/953137787.db2.gz ILIMUGMCESIVTA-LLVKDONJSA-N -1 3 383.416 0.364 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)n1 ZINC001571222667 953137788 /nfs/dbraw/zinc/13/77/88/953137788.db2.gz ILIMUGMCESIVTA-LLVKDONJSA-N -1 3 383.416 0.364 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C)n1cccn1 ZINC001571222799 953138275 /nfs/dbraw/zinc/13/82/75/953138275.db2.gz LJJCKMOERLOVEP-MDZLAQPJSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C)n1cccn1 ZINC001571222799 953138277 /nfs/dbraw/zinc/13/82/77/953138277.db2.gz LJJCKMOERLOVEP-MDZLAQPJSA-N -1 3 383.416 0.372 20 0 GCADHM CCCc1n[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222825 953138371 /nfs/dbraw/zinc/13/83/71/953138371.db2.gz LQCPYWTVBBLTQY-LLVKDONJSA-N -1 3 383.416 0.515 20 0 GCADHM CCCc1n[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222825 953138373 /nfs/dbraw/zinc/13/83/73/953138373.db2.gz LQCPYWTVBBLTQY-LLVKDONJSA-N -1 3 383.416 0.515 20 0 GCADHM CCn1ccnc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001571222859 953139398 /nfs/dbraw/zinc/13/93/98/953139398.db2.gz NDKAJDBOVSURJI-ZDUSSCGKSA-N -1 3 383.416 0.113 20 0 GCADHM CCn1ccnc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001571222859 953139401 /nfs/dbraw/zinc/13/94/01/953139401.db2.gz NDKAJDBOVSURJI-ZDUSSCGKSA-N -1 3 383.416 0.113 20 0 GCADHM COc1cc(C)nc(N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571222874 953139720 /nfs/dbraw/zinc/13/97/20/953139720.db2.gz NIMHMAVWNIJMLJ-NOZJJQNGSA-N -1 3 383.416 0.557 20 0 GCADHM COc1cc(C)nc(N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571222874 953139723 /nfs/dbraw/zinc/13/97/23/953139723.db2.gz NIMHMAVWNIJMLJ-NOZJJQNGSA-N -1 3 383.416 0.557 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001571222884 953139799 /nfs/dbraw/zinc/13/97/99/953139799.db2.gz MSHWSKBGIYGOGF-WDEREUQCSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001571222884 953139801 /nfs/dbraw/zinc/13/98/01/953139801.db2.gz MSHWSKBGIYGOGF-WDEREUQCSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cnn(C)c1 ZINC001571222887 953139998 /nfs/dbraw/zinc/13/99/98/953139998.db2.gz MTVNOONQBBCIJB-NSHDSACASA-N -1 3 383.416 0.016 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cnn(C)c1 ZINC001571222887 953140000 /nfs/dbraw/zinc/14/00/00/953140000.db2.gz MTVNOONQBBCIJB-NSHDSACASA-N -1 3 383.416 0.016 20 0 GCADHM CC(C)[C@@H](NC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1)C(N)=O ZINC001571222848 953140011 /nfs/dbraw/zinc/14/00/11/953140011.db2.gz MARZOANNVZNTKH-CQSZACIVSA-N -1 3 383.416 0.743 20 0 GCADHM CC(C)[C@@H](NC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC001571222848 953140012 /nfs/dbraw/zinc/14/00/12/953140012.db2.gz MARZOANNVZNTKH-CQSZACIVSA-N -1 3 383.416 0.743 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)Cn2cccn2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222833 953140072 /nfs/dbraw/zinc/14/00/72/953140072.db2.gz LQROBMURGPVOIZ-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)Cn2cccn2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222833 953140074 /nfs/dbraw/zinc/14/00/74/953140074.db2.gz LQROBMURGPVOIZ-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1NC(=O)c1c[nH]nc1C ZINC001571222931 953140437 /nfs/dbraw/zinc/14/04/37/953140437.db2.gz NZGXCQISMIMKKD-ZIAGYGMSSA-N -1 3 383.416 0.235 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1NC(=O)c1c[nH]nc1C ZINC001571222931 953140438 /nfs/dbraw/zinc/14/04/38/953140438.db2.gz NZGXCQISMIMKKD-ZIAGYGMSSA-N -1 3 383.416 0.235 20 0 GCADHM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1C ZINC001571223016 953140567 /nfs/dbraw/zinc/14/05/67/953140567.db2.gz PEELTIDOWLVIHS-LBPRGKRZSA-N -1 3 383.416 0.521 20 0 GCADHM Cc1[nH]nc(C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1C ZINC001571223016 953140568 /nfs/dbraw/zinc/14/05/68/953140568.db2.gz PEELTIDOWLVIHS-LBPRGKRZSA-N -1 3 383.416 0.521 20 0 GCADHM CCn1ccnc1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571223227 953142573 /nfs/dbraw/zinc/14/25/73/953142573.db2.gz QTIIAPFNOZTQNF-LBPRGKRZSA-N -1 3 383.416 0.398 20 0 GCADHM CCn1ccnc1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571223227 953142577 /nfs/dbraw/zinc/14/25/77/953142577.db2.gz QTIIAPFNOZTQNF-LBPRGKRZSA-N -1 3 383.416 0.398 20 0 GCADHM COc1cncc(CN2CCC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001571223318 953142905 /nfs/dbraw/zinc/14/29/05/953142905.db2.gz SYPVBSJKHGMZDS-UHFFFAOYSA-N -1 3 383.416 0.388 20 0 GCADHM COc1cncc(CN2CCC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001571223318 953142914 /nfs/dbraw/zinc/14/29/14/953142914.db2.gz SYPVBSJKHGMZDS-UHFFFAOYSA-N -1 3 383.416 0.388 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001571223250 953143203 /nfs/dbraw/zinc/14/32/03/953143203.db2.gz RSFDOPYKXMKYCY-ZDUSSCGKSA-N -1 3 383.416 0.008 20 0 GCADHM Cc1[nH]nc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)c1C ZINC001571223254 953143463 /nfs/dbraw/zinc/14/34/63/953143463.db2.gz RVEMSPZKIGZPMN-CYBMUJFWSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1[nH]nc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)c1C ZINC001571223254 953143466 /nfs/dbraw/zinc/14/34/66/953143466.db2.gz RVEMSPZKIGZPMN-CYBMUJFWSA-N -1 3 383.416 0.237 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C)n1cccn1 ZINC001571223409 953144448 /nfs/dbraw/zinc/14/44/48/953144448.db2.gz QVKGZYRDLGSPHT-WZRBSPASSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C)n1cccn1 ZINC001571223409 953144451 /nfs/dbraw/zinc/14/44/51/953144451.db2.gz QVKGZYRDLGSPHT-WZRBSPASSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1c(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cnn1C ZINC001571223555 953145493 /nfs/dbraw/zinc/14/54/93/953145493.db2.gz VFSXCQCAQADXNI-UHFFFAOYSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1c(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cnn1C ZINC001571223555 953145494 /nfs/dbraw/zinc/14/54/94/953145494.db2.gz VFSXCQCAQADXNI-UHFFFAOYSA-N -1 3 383.416 0.271 20 0 GCADHM CCc1nc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001571223534 953145592 /nfs/dbraw/zinc/14/55/92/953145592.db2.gz UKVKDUQBBCOJKI-PHIMTYICSA-N -1 3 383.416 0.629 20 0 GCADHM CCc1nc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001571223534 953145597 /nfs/dbraw/zinc/14/55/97/953145597.db2.gz UKVKDUQBBCOJKI-PHIMTYICSA-N -1 3 383.416 0.629 20 0 GCADHM CCn1ccc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)n1 ZINC001571223591 953146525 /nfs/dbraw/zinc/14/65/25/953146525.db2.gz WRWIXZZPKKWHSR-QWRGUYRKSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1ccc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)n1 ZINC001571223591 953146527 /nfs/dbraw/zinc/14/65/27/953146527.db2.gz WRWIXZZPKKWHSR-QWRGUYRKSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1ccc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)n1 ZINC001571223590 953146569 /nfs/dbraw/zinc/14/65/69/953146569.db2.gz WRWIXZZPKKWHSR-MNOVXSKESA-N -1 3 383.416 0.444 20 0 GCADHM CCn1ccc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)n1 ZINC001571223590 953146570 /nfs/dbraw/zinc/14/65/70/953146570.db2.gz WRWIXZZPKKWHSR-MNOVXSKESA-N -1 3 383.416 0.444 20 0 GCADHM CCn1cnc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571223801 953147141 /nfs/dbraw/zinc/14/71/41/953147141.db2.gz XSGWSKNENTYJRO-JQWIXIFHSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1cnc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571223801 953147144 /nfs/dbraw/zinc/14/71/44/953147144.db2.gz XSGWSKNENTYJRO-JQWIXIFHSA-N -1 3 383.416 0.444 20 0 GCADHM COCc1cc(N(C)[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ncn1 ZINC001571223877 953147580 /nfs/dbraw/zinc/14/75/80/953147580.db2.gz ZBIIQGLTUVSPRR-CYBMUJFWSA-N -1 3 383.416 0.482 20 0 GCADHM COCc1cc(N(C)[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ncn1 ZINC001571223877 953147582 /nfs/dbraw/zinc/14/75/82/953147582.db2.gz ZBIIQGLTUVSPRR-CYBMUJFWSA-N -1 3 383.416 0.482 20 0 GCADHM Cc1c[nH]c(C(=O)N(C)C2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001571223865 953147829 /nfs/dbraw/zinc/14/78/29/953147829.db2.gz YRTQHFRHXBTOME-UHFFFAOYSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1c[nH]c(C(=O)N(C)C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001571223865 953147831 /nfs/dbraw/zinc/14/78/31/953147831.db2.gz YRTQHFRHXBTOME-UHFFFAOYSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)c(C)n3)C2)n1 ZINC001571223862 953147953 /nfs/dbraw/zinc/14/79/53/953147953.db2.gz YPGZSMMFRNKIEI-GFCCVEGCSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571223910 953147993 /nfs/dbraw/zinc/14/79/93/953147993.db2.gz ZWWRNWZYXQSBES-NSHDSACASA-N -1 3 383.416 0.509 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571223910 953147994 /nfs/dbraw/zinc/14/79/94/953147994.db2.gz ZWWRNWZYXQSBES-NSHDSACASA-N -1 3 383.416 0.509 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001571224087 953148720 /nfs/dbraw/zinc/14/87/20/953148720.db2.gz XWTOAALOQREZMD-GXTWGEPZSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001571224087 953148724 /nfs/dbraw/zinc/14/87/24/953148724.db2.gz XWTOAALOQREZMD-GXTWGEPZSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@H](C(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001571224108 953149262 /nfs/dbraw/zinc/14/92/62/953149262.db2.gz YJNRWDIONUAWRX-WDEREUQCSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](C(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001571224108 953149264 /nfs/dbraw/zinc/14/92/64/953149264.db2.gz YJNRWDIONUAWRX-WDEREUQCSA-N -1 3 383.416 0.229 20 0 GCADHM CCCc1n[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571224110 953149268 /nfs/dbraw/zinc/14/92/68/953149268.db2.gz YJVSOIKPPRBBHL-SNVBAGLBSA-N -1 3 383.416 0.515 20 0 GCADHM CCCc1n[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571224110 953149270 /nfs/dbraw/zinc/14/92/70/953149270.db2.gz YJVSOIKPPRBBHL-SNVBAGLBSA-N -1 3 383.416 0.515 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1C ZINC001571224160 953149600 /nfs/dbraw/zinc/14/96/00/953149600.db2.gz ZTFXYBVAWSCVMP-NSHDSACASA-N -1 3 383.416 0.135 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1C ZINC001571224160 953149602 /nfs/dbraw/zinc/14/96/02/953149602.db2.gz ZTFXYBVAWSCVMP-NSHDSACASA-N -1 3 383.416 0.135 20 0 GCADHM Cc1ncn(C)c1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571224716 953150810 /nfs/dbraw/zinc/15/08/10/953150810.db2.gz DXBBIICNPCWJBB-WDEREUQCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571224716 953150813 /nfs/dbraw/zinc/15/08/13/953150813.db2.gz DXBBIICNPCWJBB-WDEREUQCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)[C@@H](C)C2)o1 ZINC001571224756 953151255 /nfs/dbraw/zinc/15/12/55/953151255.db2.gz FNVYWKTYHRTOLZ-GXFFZTMASA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)[C@@H](C)C2)o1 ZINC001571224756 953151257 /nfs/dbraw/zinc/15/12/57/953151257.db2.gz FNVYWKTYHRTOLZ-GXFFZTMASA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571224760 953151306 /nfs/dbraw/zinc/15/13/06/953151306.db2.gz FNYSGGYAQOMHOS-JQWIXIFHSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571224760 953151307 /nfs/dbraw/zinc/15/13/07/953151307.db2.gz FNYSGGYAQOMHOS-JQWIXIFHSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@H](Nc3ncccc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC001571224918 953151480 /nfs/dbraw/zinc/15/14/80/953151480.db2.gz GNNCVHZVEIRKGZ-CMPLNLGQSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@H](Nc3ncccc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC001571224918 953151483 /nfs/dbraw/zinc/15/14/83/953151483.db2.gz GNNCVHZVEIRKGZ-CMPLNLGQSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](C)[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)o1 ZINC001571225353 953152932 /nfs/dbraw/zinc/15/29/32/953152932.db2.gz JVQPDIPRGFSSTB-TVQRCGJNSA-N -1 3 383.416 0.763 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](C)[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)o1 ZINC001571225353 953152933 /nfs/dbraw/zinc/15/29/33/953152933.db2.gz JVQPDIPRGFSSTB-TVQRCGJNSA-N -1 3 383.416 0.763 20 0 GCADHM Cc1ccnn1CC(=O)N(C)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571225278 953153063 /nfs/dbraw/zinc/15/30/63/953153063.db2.gz JDHHRIDPZOVEMV-UHFFFAOYSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1ccnn1CC(=O)N(C)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571225278 953153065 /nfs/dbraw/zinc/15/30/65/953153065.db2.gz JDHHRIDPZOVEMV-UHFFFAOYSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C)o1 ZINC001571225667 953153545 /nfs/dbraw/zinc/15/35/45/953153545.db2.gz NCTPVYKQZHEHOX-CMPLNLGQSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@@H]2C)o1 ZINC001571225667 953153550 /nfs/dbraw/zinc/15/35/50/953153550.db2.gz NCTPVYKQZHEHOX-CMPLNLGQSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1ncc(C(=O)N(C)C[C@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1C ZINC001571225923 953154259 /nfs/dbraw/zinc/15/42/59/953154259.db2.gz OKRPEYVYXFEXHO-GFCCVEGCSA-N -1 3 383.416 0.223 20 0 GCADHM Cc1ncc(C(=O)N(C)C[C@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1C ZINC001571225923 953154261 /nfs/dbraw/zinc/15/42/61/953154261.db2.gz OKRPEYVYXFEXHO-GFCCVEGCSA-N -1 3 383.416 0.223 20 0 GCADHM Cc1c[nH]c(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571226406 953155420 /nfs/dbraw/zinc/15/54/20/953155420.db2.gz QASOAIJCCSFHPF-CMPLNLGQSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1noc(CCC(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)n1 ZINC001571226450 953155856 /nfs/dbraw/zinc/15/58/56/953155856.db2.gz QYPUGGYYVFQLRQ-GFCCVEGCSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1noc(CCC(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)n1 ZINC001571226450 953155859 /nfs/dbraw/zinc/15/58/59/953155859.db2.gz QYPUGGYYVFQLRQ-GFCCVEGCSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1nc(N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nnn[n-]1 ZINC001571226474 953155891 /nfs/dbraw/zinc/15/58/91/953155891.db2.gz ROLFYHYRZXOEGN-ONGXEEELSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1nc(N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nn[n-]n1 ZINC001571226474 953155894 /nfs/dbraw/zinc/15/58/94/953155894.db2.gz ROLFYHYRZXOEGN-ONGXEEELSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571226598 953156147 /nfs/dbraw/zinc/15/61/47/953156147.db2.gz SLYCCBVDXDZARX-UHFFFAOYSA-N -1 3 383.416 0.568 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571226598 953156149 /nfs/dbraw/zinc/15/61/49/953156149.db2.gz SLYCCBVDXDZARX-UHFFFAOYSA-N -1 3 383.416 0.568 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571226607 953156300 /nfs/dbraw/zinc/15/63/00/953156300.db2.gz SQCGOCPTWLNENT-BXKDBHETSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571226607 953156303 /nfs/dbraw/zinc/15/63/03/953156303.db2.gz SQCGOCPTWLNENT-BXKDBHETSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc(-c3nnn[n-]3)n2C)n1 ZINC001571226661 953156671 /nfs/dbraw/zinc/15/66/71/953156671.db2.gz VBAPUULCRQOPEB-NWDGAFQWSA-N -1 3 383.416 0.303 20 0 GCADHM Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc(-c3nn[n-]n3)n2C)n1 ZINC001571226661 953156675 /nfs/dbraw/zinc/15/66/75/953156675.db2.gz VBAPUULCRQOPEB-NWDGAFQWSA-N -1 3 383.416 0.303 20 0 GCADHM Cc1cnn(CC(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571226904 953156811 /nfs/dbraw/zinc/15/68/11/953156811.db2.gz WMJFVDRHVZEKEC-ZDUSSCGKSA-N -1 3 383.416 0.073 20 0 GCADHM Cc1cnn(CC(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571226904 953156813 /nfs/dbraw/zinc/15/68/13/953156813.db2.gz WMJFVDRHVZEKEC-ZDUSSCGKSA-N -1 3 383.416 0.073 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571226689 953156915 /nfs/dbraw/zinc/15/69/15/953156915.db2.gz WALSBQXXIIORAS-PHIMTYICSA-N -1 3 383.416 0.473 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571226689 953156917 /nfs/dbraw/zinc/15/69/17/953156917.db2.gz WALSBQXXIIORAS-PHIMTYICSA-N -1 3 383.416 0.473 20 0 GCADHM Cc1nc(N[C@@H](C)[C@H]2CN(C(=O)c3cn[nH]c3)CCO2)ccc1-c1nnn[n-]1 ZINC001571226936 953157596 /nfs/dbraw/zinc/15/75/96/953157596.db2.gz XFGBTSBSOKPFMC-SMDDNHRTSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(N[C@@H](C)[C@H]2CN(C(=O)c3cn[nH]c3)CCO2)ccc1-c1nn[n-]n1 ZINC001571226936 953157598 /nfs/dbraw/zinc/15/75/98/953157598.db2.gz XFGBTSBSOKPFMC-SMDDNHRTSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(N[C@H](C)[C@H]2CN(C(=O)c3cn[nH]c3)CCO2)ccc1-c1nnn[n-]1 ZINC001571226933 953157847 /nfs/dbraw/zinc/15/78/47/953157847.db2.gz XFGBTSBSOKPFMC-BXUZGUMPSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(N[C@H](C)[C@H]2CN(C(=O)c3cn[nH]c3)CCO2)ccc1-c1nn[n-]n1 ZINC001571226933 953157848 /nfs/dbraw/zinc/15/78/48/953157848.db2.gz XFGBTSBSOKPFMC-BXUZGUMPSA-N -1 3 383.416 0.635 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@@H](NCc2nc(C3CCC3)no2)C1 ZINC001571227795 953159668 /nfs/dbraw/zinc/15/96/68/953159668.db2.gz CELGMHJQGOGJNY-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@H](NCc2nc(C3CCC3)no2)C1 ZINC001571227795 953159670 /nfs/dbraw/zinc/15/96/70/953159670.db2.gz CELGMHJQGOGJNY-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM Cn1cnc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571227850 953159825 /nfs/dbraw/zinc/15/98/25/953159825.db2.gz DEKJFULFAJQPFU-CMPLNLGQSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cnc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571227850 953159828 /nfs/dbraw/zinc/15/98/28/953159828.db2.gz DEKJFULFAJQPFU-CMPLNLGQSA-N -1 3 383.416 0.257 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@H](NCc2nc(C3CCC3)no2)C1 ZINC001571227796 953159861 /nfs/dbraw/zinc/15/98/61/953159861.db2.gz CELGMHJQGOGJNY-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@H](NCc2nc(C3CCC3)no2)C1 ZINC001571227796 953159865 /nfs/dbraw/zinc/15/98/65/953159865.db2.gz CELGMHJQGOGJNY-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H]1CNCc1nc(C2CC2)no1 ZINC001571228044 953161557 /nfs/dbraw/zinc/16/15/57/953161557.db2.gz GVGMHFSGZSPTRL-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H]1CNCc1nc(C2CC2)no1 ZINC001571228044 953161559 /nfs/dbraw/zinc/16/15/59/953161559.db2.gz GVGMHFSGZSPTRL-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM C[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001571228100 953161718 /nfs/dbraw/zinc/16/17/18/953161718.db2.gz IKEWJPJKIVRRAD-SNVBAGLBSA-N -1 3 383.420 0.057 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC2(CCN(Cc3cnon3)C2)CC1 ZINC001571228264 953162948 /nfs/dbraw/zinc/16/29/48/953162948.db2.gz MBUBTTYVLRXOOI-UHFFFAOYSA-N -1 3 383.416 0.706 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571228312 953163926 /nfs/dbraw/zinc/16/39/26/953163926.db2.gz NABUYBOIDISWOO-PWSUYJOCSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571228312 953163927 /nfs/dbraw/zinc/16/39/27/953163927.db2.gz NABUYBOIDISWOO-PWSUYJOCSA-N -1 3 383.416 0.257 20 0 GCADHM O=C(CCn1ccnc1)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228562 953165014 /nfs/dbraw/zinc/16/50/14/953165014.db2.gz RRSUXVBNSRHFTR-LBPRGKRZSA-N -1 3 383.416 0.202 20 0 GCADHM O=C(CCn1ccnc1)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228562 953165017 /nfs/dbraw/zinc/16/50/17/953165017.db2.gz RRSUXVBNSRHFTR-LBPRGKRZSA-N -1 3 383.416 0.202 20 0 GCADHM O=C(NC1CCN(Cc2noc(C3CC3)n2)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571228604 953165278 /nfs/dbraw/zinc/16/52/78/953165278.db2.gz TZECTWKUIXHGRC-UHFFFAOYSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(NC1CCN(Cc2noc(C3CC3)n2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571228604 953165281 /nfs/dbraw/zinc/16/52/81/953165281.db2.gz TZECTWKUIXHGRC-UHFFFAOYSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228577 953165389 /nfs/dbraw/zinc/16/53/89/953165389.db2.gz SJTOIWMPNPJURT-GHMZBOCLSA-N -1 3 383.416 0.175 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228577 953165391 /nfs/dbraw/zinc/16/53/91/953165391.db2.gz SJTOIWMPNPJURT-GHMZBOCLSA-N -1 3 383.416 0.175 20 0 GCADHM Cn1ccnc1[C@@H]1C[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001571228585 953165442 /nfs/dbraw/zinc/16/54/42/953165442.db2.gz SMWLPYRNHVRYNB-OCCSQVGLSA-N -1 3 383.416 0.715 20 0 GCADHM Cn1ccnc1[C@@H]1C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001571228585 953165443 /nfs/dbraw/zinc/16/54/43/953165443.db2.gz SMWLPYRNHVRYNB-OCCSQVGLSA-N -1 3 383.416 0.715 20 0 GCADHM CN(C(=O)Cn1cnnn1)C1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001571228647 953166057 /nfs/dbraw/zinc/16/60/57/953166057.db2.gz USJHTDFUCWFHHQ-UHFFFAOYSA-N -1 3 383.420 0.130 20 0 GCADHM CN(C(=O)Cn1cnnn1)C1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001571228647 953166058 /nfs/dbraw/zinc/16/60/58/953166058.db2.gz USJHTDFUCWFHHQ-UHFFFAOYSA-N -1 3 383.420 0.130 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571229029 953167473 /nfs/dbraw/zinc/16/74/73/953167473.db2.gz YMEQVRWOGVVAIQ-CMPLNLGQSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571229029 953167476 /nfs/dbraw/zinc/16/74/76/953167476.db2.gz YMEQVRWOGVVAIQ-CMPLNLGQSA-N -1 3 383.416 0.257 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571229178 953168404 /nfs/dbraw/zinc/16/84/04/953168404.db2.gz AJPOLQWNCXXVLY-GXSJLCMTSA-N -1 3 383.420 0.294 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCC[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571230020 953173573 /nfs/dbraw/zinc/17/35/73/953173573.db2.gz QZFFQTHUHMUBQF-GXSJLCMTSA-N -1 3 383.420 0.436 20 0 GCADHM Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571230127 953173592 /nfs/dbraw/zinc/17/35/92/953173592.db2.gz SBKADIYMTCRKGD-CMPLNLGQSA-N -1 3 383.420 0.186 20 0 GCADHM Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571230127 953173596 /nfs/dbraw/zinc/17/35/96/953173596.db2.gz SBKADIYMTCRKGD-CMPLNLGQSA-N -1 3 383.420 0.186 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571230110 953173789 /nfs/dbraw/zinc/17/37/89/953173789.db2.gz RXBZLSUEOVEJOD-GHMZBOCLSA-N -1 3 383.420 0.056 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571230110 953173791 /nfs/dbraw/zinc/17/37/91/953173791.db2.gz RXBZLSUEOVEJOD-GHMZBOCLSA-N -1 3 383.420 0.056 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCCCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571230160 953174339 /nfs/dbraw/zinc/17/43/39/953174339.db2.gz SSTJHEJFRGTZRK-NSHDSACASA-N -1 3 383.420 0.580 20 0 GCADHM Cc1nc(NC[C@@H]2CCCCN2C(=O)c2nnn(C)n2)ccc1-c1nnn[n-]1 ZINC001571230383 953176716 /nfs/dbraw/zinc/17/67/16/953176716.db2.gz WURBJEBCHMDZKQ-NSHDSACASA-N -1 3 383.420 0.200 20 0 GCADHM Cc1nc(NC[C@@H]2CCCCN2C(=O)c2nnn(C)n2)ccc1-c1nn[n-]n1 ZINC001571230383 953176719 /nfs/dbraw/zinc/17/67/19/953176719.db2.gz WURBJEBCHMDZKQ-NSHDSACASA-N -1 3 383.420 0.200 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571230509 953177763 /nfs/dbraw/zinc/17/77/63/953177763.db2.gz XEDJFBLOCOFZPV-NSHDSACASA-N -1 3 383.420 0.201 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]21 ZINC001571230756 953179830 /nfs/dbraw/zinc/17/98/30/953179830.db2.gz JMENACXMRQWXMX-VMMWWAARSA-N -1 3 383.456 0.936 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]21 ZINC001571230756 953179832 /nfs/dbraw/zinc/17/98/32/953179832.db2.gz JMENACXMRQWXMX-VMMWWAARSA-N -1 3 383.456 0.936 20 0 GCADHM CC1(C(=O)N2C[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]3C2)CCOCC1 ZINC001571231025 953182515 /nfs/dbraw/zinc/18/25/15/953182515.db2.gz QIUNAPZBYCEPQJ-OKILXGFUSA-N -1 3 383.456 0.973 20 0 GCADHM CC1(C(=O)N2C[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]3C2)CCOCC1 ZINC001571231025 953182518 /nfs/dbraw/zinc/18/25/18/953182518.db2.gz QIUNAPZBYCEPQJ-OKILXGFUSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N2C[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]3C2)CCO1 ZINC001571231089 953182656 /nfs/dbraw/zinc/18/26/56/953182656.db2.gz RYJBPMSYYMQALS-TUVASFSCSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N2C[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]3C2)CCO1 ZINC001571231089 953182658 /nfs/dbraw/zinc/18/26/58/953182658.db2.gz RYJBPMSYYMQALS-TUVASFSCSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@@]3(C)C2)CCOC1 ZINC001571231428 953184135 /nfs/dbraw/zinc/18/41/35/953184135.db2.gz WNXDGHBFVAUPHV-VMDGZTHMSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@@]3(C)C2)CCOC1 ZINC001571231428 953184138 /nfs/dbraw/zinc/18/41/38/953184138.db2.gz WNXDGHBFVAUPHV-VMDGZTHMSA-N -1 3 383.456 0.973 20 0 GCADHM CNC(=O)[C@@H](NC(=O)CSc1ccncc1-c1nnn[n-]1)c1ccccc1 ZINC001571231228 953184251 /nfs/dbraw/zinc/18/42/51/953184251.db2.gz VUGICJAGZXMVCA-HNNXBMFYSA-N -1 3 383.437 0.957 20 0 GCADHM CNC(=O)[C@@H](NC(=O)CSc1ccncc1-c1nn[n-]n1)c1ccccc1 ZINC001571231228 953184253 /nfs/dbraw/zinc/18/42/53/953184253.db2.gz VUGICJAGZXMVCA-HNNXBMFYSA-N -1 3 383.437 0.957 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)[C@H]1CC2CCC1CC2 ZINC001571232322 953186642 /nfs/dbraw/zinc/18/66/42/953186642.db2.gz DTXCUGIVJWHXSR-YLQXPAHYSA-N -1 3 383.456 0.754 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)[C@H]1CC2CCC1CC2 ZINC001571232322 953186644 /nfs/dbraw/zinc/18/66/44/953186644.db2.gz DTXCUGIVJWHXSR-YLQXPAHYSA-N -1 3 383.456 0.754 20 0 GCADHM C[C@]12CN(C(=O)[C@H]3CCCOC3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571232405 953186905 /nfs/dbraw/zinc/18/69/05/953186905.db2.gz FCGHFSOYEAQWGO-KSMMKXTCSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@]12CN(C(=O)[C@H]3CCCOC3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571232405 953186908 /nfs/dbraw/zinc/18/69/08/953186908.db2.gz FCGHFSOYEAQWGO-KSMMKXTCSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571233343 953191383 /nfs/dbraw/zinc/19/13/83/953191383.db2.gz SHXXTEVNHDXBGS-ZYIUAKIQSA-N -1 3 383.456 0.875 20 0 GCADHM C[C@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571233343 953191385 /nfs/dbraw/zinc/19/13/85/953191385.db2.gz SHXXTEVNHDXBGS-ZYIUAKIQSA-N -1 3 383.456 0.875 20 0 GCADHM O=S(=O)(NCc1cc[nH]n1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC001571234792 953205341 /nfs/dbraw/zinc/20/53/41/953205341.db2.gz IUKHJIYYCQLLSC-UHFFFAOYSA-N -1 3 384.219 0.831 20 0 GCADHM O=S(=O)(NCc1cc[nH]n1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC001571234792 953205342 /nfs/dbraw/zinc/20/53/42/953205342.db2.gz IUKHJIYYCQLLSC-UHFFFAOYSA-N -1 3 384.219 0.831 20 0 GCADHM COC(=O)[C@](C)(CO)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001571234884 953206690 /nfs/dbraw/zinc/20/66/90/953206690.db2.gz LSPTUOGGHSXADB-ZDUSSCGKSA-N -1 3 384.190 0.283 20 0 GCADHM COC(=O)[C@](C)(CO)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001571234884 953206695 /nfs/dbraw/zinc/20/66/95/953206695.db2.gz LSPTUOGGHSXADB-ZDUSSCGKSA-N -1 3 384.190 0.283 20 0 GCADHM CN(C(=O)c1c[nH]c(=O)cn1)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571234942 953206850 /nfs/dbraw/zinc/20/68/50/953206850.db2.gz NMFHNXYKERAMHN-UHFFFAOYSA-N -1 3 384.375 0.046 20 0 GCADHM CN(C(=O)c1c[nH]c(=O)cn1)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571234942 953206853 /nfs/dbraw/zinc/20/68/53/953206853.db2.gz NMFHNXYKERAMHN-UHFFFAOYSA-N -1 3 384.375 0.046 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(C(=O)c2ccc(F)cn2)C1 ZINC001571235065 953208668 /nfs/dbraw/zinc/20/86/68/953208668.db2.gz ROUAKVBSHMAKHY-SECBINFHSA-N -1 3 384.375 0.619 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(C(=O)c2ccc(F)cn2)C1 ZINC001571235065 953208672 /nfs/dbraw/zinc/20/86/72/953208672.db2.gz ROUAKVBSHMAKHY-SECBINFHSA-N -1 3 384.375 0.619 20 0 GCADHM COCc1nocc1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571235348 953211255 /nfs/dbraw/zinc/21/12/55/953211255.db2.gz ATGLNLKAYZUKKU-NSHDSACASA-N -1 3 384.400 0.970 20 0 GCADHM COCc1nocc1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571235348 953211259 /nfs/dbraw/zinc/21/12/59/953211259.db2.gz ATGLNLKAYZUKKU-NSHDSACASA-N -1 3 384.400 0.970 20 0 GCADHM COC[C@H]1COCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC001571235420 953211972 /nfs/dbraw/zinc/21/19/72/953211972.db2.gz DBEQZHSIWWDEHC-ZDUSSCGKSA-N -1 3 384.400 0.122 20 0 GCADHM COC[C@H]1COCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001571235420 953211975 /nfs/dbraw/zinc/21/19/75/953211975.db2.gz DBEQZHSIWWDEHC-ZDUSSCGKSA-N -1 3 384.400 0.122 20 0 GCADHM CCc1oncc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571235372 953212201 /nfs/dbraw/zinc/21/22/01/953212201.db2.gz BPIXOJFUVPQUEL-LBPRGKRZSA-N -1 3 384.400 0.447 20 0 GCADHM CCc1oncc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571235372 953212204 /nfs/dbraw/zinc/21/22/04/953212204.db2.gz BPIXOJFUVPQUEL-LBPRGKRZSA-N -1 3 384.400 0.447 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)n1 ZINC001571235386 953212219 /nfs/dbraw/zinc/21/22/19/953212219.db2.gz CAPACGNEMSHYNO-KGLIPLIRSA-N -1 3 384.375 0.084 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)n1 ZINC001571235386 953212221 /nfs/dbraw/zinc/21/22/21/953212221.db2.gz CAPACGNEMSHYNO-KGLIPLIRSA-N -1 3 384.375 0.084 20 0 GCADHM CCc1ncoc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571235440 953212274 /nfs/dbraw/zinc/21/22/74/953212274.db2.gz FDJPICSEIMDGIH-NXEZZACHSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ncoc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571235440 953212276 /nfs/dbraw/zinc/21/22/76/953212276.db2.gz FDJPICSEIMDGIH-NXEZZACHSA-N -1 3 384.400 0.778 20 0 GCADHM O=C(c1cccnn1)N1CCO[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571235476 953212731 /nfs/dbraw/zinc/21/27/31/953212731.db2.gz GDJWRUIGNNHVAD-NSHDSACASA-N -1 3 384.375 0.749 20 0 GCADHM O=C(c1cccnn1)N1CCO[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571235476 953212735 /nfs/dbraw/zinc/21/27/35/953212735.db2.gz GDJWRUIGNNHVAD-NSHDSACASA-N -1 3 384.375 0.749 20 0 GCADHM O=C(c1cn[nH]c(=O)c1)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001571235552 953213741 /nfs/dbraw/zinc/21/37/41/953213741.db2.gz IETXWKKOPAUQJS-UHFFFAOYSA-N -1 3 384.375 0.459 20 0 GCADHM O=C(c1cn[nH]c(=O)c1)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001571235552 953213742 /nfs/dbraw/zinc/21/37/42/953213742.db2.gz IETXWKKOPAUQJS-UHFFFAOYSA-N -1 3 384.375 0.459 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cnon1 ZINC001571235616 953214260 /nfs/dbraw/zinc/21/42/60/953214260.db2.gz KXVNJSJWVXQQPL-YVLXSGLVSA-N -1 3 384.375 0.924 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cnon1 ZINC001571235616 953214262 /nfs/dbraw/zinc/21/42/62/953214262.db2.gz KXVNJSJWVXQQPL-YVLXSGLVSA-N -1 3 384.375 0.924 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)on1 ZINC001571235612 953214338 /nfs/dbraw/zinc/21/43/38/953214338.db2.gz KUZHAYSVXWXMLH-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)on1 ZINC001571235612 953214340 /nfs/dbraw/zinc/21/43/40/953214340.db2.gz KUZHAYSVXWXMLH-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CCc1nocc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571235606 953214366 /nfs/dbraw/zinc/21/43/66/953214366.db2.gz KQFQHOYWELKASG-NSHDSACASA-N -1 3 384.400 0.780 20 0 GCADHM CCc1nocc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571235606 953214368 /nfs/dbraw/zinc/21/43/68/953214368.db2.gz KQFQHOYWELKASG-NSHDSACASA-N -1 3 384.400 0.780 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ocnc1C ZINC001571235723 953215167 /nfs/dbraw/zinc/21/51/67/953215167.db2.gz OQKHHKDNWDLBEZ-CHWSQXEVSA-N -1 3 384.400 0.500 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ocnc1C ZINC001571235723 953215169 /nfs/dbraw/zinc/21/51/69/953215169.db2.gz OQKHHKDNWDLBEZ-CHWSQXEVSA-N -1 3 384.400 0.500 20 0 GCADHM Cn1ccc(=O)c(C(=O)N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)c1 ZINC001571235844 953215639 /nfs/dbraw/zinc/21/56/39/953215639.db2.gz QAHOQLIVLHFTFW-NSHDSACASA-N -1 3 384.375 0.426 20 0 GCADHM Cn1ccc(=O)c(C(=O)N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)c1 ZINC001571235844 953215643 /nfs/dbraw/zinc/21/56/43/953215643.db2.gz QAHOQLIVLHFTFW-NSHDSACASA-N -1 3 384.375 0.426 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC001571236141 953215849 /nfs/dbraw/zinc/21/58/49/953215849.db2.gz RVSLYLWVTVZYJD-QMTHXVAHSA-N -1 3 384.400 0.182 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC001571236141 953215853 /nfs/dbraw/zinc/21/58/53/953215853.db2.gz RVSLYLWVTVZYJD-QMTHXVAHSA-N -1 3 384.400 0.182 20 0 GCADHM CCc1ncoc1C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571235926 953216032 /nfs/dbraw/zinc/21/60/32/953216032.db2.gz RNNCAXFADSUXFZ-NSHDSACASA-N -1 3 384.400 0.732 20 0 GCADHM CCc1ncoc1C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571235926 953216037 /nfs/dbraw/zinc/21/60/37/953216037.db2.gz RNNCAXFADSUXFZ-NSHDSACASA-N -1 3 384.400 0.732 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC001571236142 953216169 /nfs/dbraw/zinc/21/61/69/953216169.db2.gz RVSLYLWVTVZYJD-YGRLFVJLSA-N -1 3 384.400 0.182 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC001571236142 953216172 /nfs/dbraw/zinc/21/61/72/953216172.db2.gz RVSLYLWVTVZYJD-YGRLFVJLSA-N -1 3 384.400 0.182 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)no1 ZINC001571236130 953216205 /nfs/dbraw/zinc/21/62/05/953216205.db2.gz RPALHKBQTXKPMK-MWLCHTKSSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)no1 ZINC001571236130 953216207 /nfs/dbraw/zinc/21/62/07/953216207.db2.gz RPALHKBQTXKPMK-MWLCHTKSSA-N -1 3 384.400 0.778 20 0 GCADHM O=C(Cc1cnoc1)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001571236147 953216520 /nfs/dbraw/zinc/21/65/20/953216520.db2.gz SGMISQPVTRAHTR-SMDDNHRTSA-N -1 3 384.375 0.669 20 0 GCADHM O=C(Cc1cnoc1)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001571236147 953216523 /nfs/dbraw/zinc/21/65/23/953216523.db2.gz SGMISQPVTRAHTR-SMDDNHRTSA-N -1 3 384.375 0.669 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)Cc1cnoc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571236149 953216821 /nfs/dbraw/zinc/21/68/21/953216821.db2.gz SILRPGAQUAWLPJ-GFCCVEGCSA-N -1 3 384.400 0.489 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)Cc1cnoc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571236149 953216824 /nfs/dbraw/zinc/21/68/24/953216824.db2.gz SILRPGAQUAWLPJ-GFCCVEGCSA-N -1 3 384.400 0.489 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)on1 ZINC001571236208 953216918 /nfs/dbraw/zinc/21/69/18/953216918.db2.gz VKGWJWFTGLOLOZ-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)on1 ZINC001571236208 953216919 /nfs/dbraw/zinc/21/69/19/953216919.db2.gz VKGWJWFTGLOLOZ-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CCc1ncoc1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236396 953217351 /nfs/dbraw/zinc/21/73/51/953217351.db2.gz YPQXAJKTWPXIKM-LLVKDONJSA-N -1 3 384.400 0.780 20 0 GCADHM CCc1ncoc1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236396 953217354 /nfs/dbraw/zinc/21/73/54/953217354.db2.gz YPQXAJKTWPXIKM-LLVKDONJSA-N -1 3 384.400 0.780 20 0 GCADHM CCc1nocc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571236227 953217469 /nfs/dbraw/zinc/21/74/69/953217469.db2.gz WIPGHGOPQGCVLN-SKDRFNHKSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1nocc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571236227 953217471 /nfs/dbraw/zinc/21/74/71/953217471.db2.gz WIPGHGOPQGCVLN-SKDRFNHKSA-N -1 3 384.400 0.778 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]2O)no1 ZINC001571236661 953218188 /nfs/dbraw/zinc/21/81/88/953218188.db2.gz AQIJJQRJCIETKU-GXTWGEPZSA-N -1 3 384.400 0.236 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]2O)no1 ZINC001571236661 953218189 /nfs/dbraw/zinc/21/81/89/953218189.db2.gz AQIJJQRJCIETKU-GXTWGEPZSA-N -1 3 384.400 0.236 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571236633 953218229 /nfs/dbraw/zinc/21/82/29/953218229.db2.gz AGPWQMDAXXXNRP-MFKMUULPSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571236633 953218231 /nfs/dbraw/zinc/21/82/31/953218231.db2.gz AGPWQMDAXXXNRP-MFKMUULPSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1nc(CN2CC3(C2)C[C@H](NC(=O)c2ccc(-c4nnn[n-]4)[nH]2)CO3)co1 ZINC001571236654 953218410 /nfs/dbraw/zinc/21/84/10/953218410.db2.gz AOVGUFBQRCVZQP-NSHDSACASA-N -1 3 384.400 0.265 20 0 GCADHM Cc1nc(CN2CC3(C2)C[C@H](NC(=O)c2ccc(-c4nn[n-]n4)[nH]2)CO3)co1 ZINC001571236654 953218413 /nfs/dbraw/zinc/21/84/13/953218413.db2.gz AOVGUFBQRCVZQP-NSHDSACASA-N -1 3 384.400 0.265 20 0 GCADHM Cc1ocnc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236895 953218842 /nfs/dbraw/zinc/21/88/42/953218842.db2.gz CRIUWVPASXADQB-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1ocnc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236895 953218845 /nfs/dbraw/zinc/21/88/45/953218845.db2.gz CRIUWVPASXADQB-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C(=O)N[C@@H](C)C2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)o1 ZINC001571236693 953218964 /nfs/dbraw/zinc/21/89/64/953218964.db2.gz BOOOLWPHWRCKIF-QMMMGPOBSA-N -1 3 384.400 0.690 20 0 GCADHM Cc1nc(C(=O)N[C@@H](C)C2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)o1 ZINC001571236693 953218968 /nfs/dbraw/zinc/21/89/68/953218968.db2.gz BOOOLWPHWRCKIF-QMMMGPOBSA-N -1 3 384.400 0.690 20 0 GCADHM Cc1onc(CO)c1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571236910 953219095 /nfs/dbraw/zinc/21/90/95/953219095.db2.gz CUWODIBABHGYHD-LBPRGKRZSA-N -1 3 384.400 0.767 20 0 GCADHM Cc1onc(CO)c1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571236910 953219097 /nfs/dbraw/zinc/21/90/97/953219097.db2.gz CUWODIBABHGYHD-LBPRGKRZSA-N -1 3 384.400 0.767 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)o1 ZINC001571237177 953220513 /nfs/dbraw/zinc/22/05/13/953220513.db2.gz GCEFMGPVBVYQSR-SKDRFNHKSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)o1 ZINC001571237177 953220515 /nfs/dbraw/zinc/22/05/15/953220515.db2.gz GCEFMGPVBVYQSR-SKDRFNHKSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1ncoc1C(=O)N(C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571237189 953220705 /nfs/dbraw/zinc/22/07/05/953220705.db2.gz GDWRDHYJDAJPHL-UHFFFAOYSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1ncoc1C(=O)N(C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571237189 953220710 /nfs/dbraw/zinc/22/07/10/953220710.db2.gz GDWRDHYJDAJPHL-UHFFFAOYSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571237674 953221978 /nfs/dbraw/zinc/22/19/78/953221978.db2.gz LIIHRZITGZFQDH-BXKDBHETSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571237674 953221980 /nfs/dbraw/zinc/22/19/80/953221980.db2.gz LIIHRZITGZFQDH-BXKDBHETSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1ncoc1CN1CC2(C1)CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCO2 ZINC001571237657 953222252 /nfs/dbraw/zinc/22/22/52/953222252.db2.gz KULPUQWJTYJTEZ-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM Cc1ncoc1CN1CC2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001571237657 953222254 /nfs/dbraw/zinc/22/22/54/953222254.db2.gz KULPUQWJTYJTEZ-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)[C@@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC001571237741 953222978 /nfs/dbraw/zinc/22/29/78/953222978.db2.gz MXQLNIMQHSTZLN-FZMZJTMJSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)[C@@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC001571237741 953222982 /nfs/dbraw/zinc/22/29/82/953222982.db2.gz MXQLNIMQHSTZLN-FZMZJTMJSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1nocc1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571237954 953224302 /nfs/dbraw/zinc/22/43/02/953224302.db2.gz OXACBCJJWRVVFL-GXFFZTMASA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nocc1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571237954 953224305 /nfs/dbraw/zinc/22/43/05/953224305.db2.gz OXACBCJJWRVVFL-GXFFZTMASA-N -1 3 384.400 0.914 20 0 GCADHM COc1nc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571238147 953225526 /nfs/dbraw/zinc/22/55/26/953225526.db2.gz VMAUVQNCPYVMFJ-NSHDSACASA-N -1 3 384.400 0.857 20 0 GCADHM COc1nc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571238147 953225529 /nfs/dbraw/zinc/22/55/29/953225529.db2.gz VMAUVQNCPYVMFJ-NSHDSACASA-N -1 3 384.400 0.857 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571238099 953225648 /nfs/dbraw/zinc/22/56/48/953225648.db2.gz UBVAOGNAGKYQBX-WDEREUQCSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571238099 953225650 /nfs/dbraw/zinc/22/56/50/953225650.db2.gz UBVAOGNAGKYQBX-WDEREUQCSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)o1 ZINC001571238230 953226153 /nfs/dbraw/zinc/22/61/53/953226153.db2.gz XHYAVJOSYSCLIN-NSHDSACASA-N -1 3 384.400 0.692 20 0 GCADHM Cc1nc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)o1 ZINC001571238230 953226155 /nfs/dbraw/zinc/22/61/55/953226155.db2.gz XHYAVJOSYSCLIN-NSHDSACASA-N -1 3 384.400 0.692 20 0 GCADHM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571238161 953226291 /nfs/dbraw/zinc/22/62/91/953226291.db2.gz VQUGFGLQKRGXKZ-UWVGGRQHSA-N -1 3 384.404 0.059 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571238163 953226470 /nfs/dbraw/zinc/22/64/70/953226470.db2.gz VQUGFGLQKRGXKZ-ZJUUUORDSA-N -1 3 384.404 0.059 20 0 GCADHM Cc1cc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)no1 ZINC001571238199 953226602 /nfs/dbraw/zinc/22/66/02/953226602.db2.gz WLHFXDHVKMJRCZ-MFKMUULPSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1cc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)no1 ZINC001571238199 953226604 /nfs/dbraw/zinc/22/66/04/953226604.db2.gz WLHFXDHVKMJRCZ-MFKMUULPSA-N -1 3 384.400 0.453 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCCN2c2nc(C)ccc2-c2nnn[n-]2)on1 ZINC001571238233 953227313 /nfs/dbraw/zinc/22/73/13/953227313.db2.gz XNNWXGICXBQDIU-LLVKDONJSA-N -1 3 384.400 0.966 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCCN2c2nc(C)ccc2-c2nn[n-]n2)on1 ZINC001571238233 953227318 /nfs/dbraw/zinc/22/73/18/953227318.db2.gz XNNWXGICXBQDIU-LLVKDONJSA-N -1 3 384.400 0.966 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1C ZINC001571238295 953227409 /nfs/dbraw/zinc/22/74/09/953227409.db2.gz YUVYGHREONGKKD-WDEREUQCSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C ZINC001571238295 953227412 /nfs/dbraw/zinc/22/74/12/953227412.db2.gz YUVYGHREONGKKD-WDEREUQCSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nocc1CN1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001571238315 953227854 /nfs/dbraw/zinc/22/78/54/953227854.db2.gz ZKXJMACIGKNEAP-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM Cc1nocc1CN1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001571238315 953227857 /nfs/dbraw/zinc/22/78/57/953227857.db2.gz ZKXJMACIGKNEAP-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]c1=O ZINC001571238378 953228034 /nfs/dbraw/zinc/22/80/34/953228034.db2.gz AVYJBUBIHDEYDJ-ZJUUUORDSA-N -1 3 384.404 0.106 20 0 GCADHM O=C(Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1)N1C[C@H](O)C[C@H]1CO ZINC001571238316 953228164 /nfs/dbraw/zinc/22/81/64/953228164.db2.gz ZNFJKISPGOPGHL-LSDHHAIUSA-N -1 3 384.400 0.071 20 0 GCADHM O=C(Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1)N1C[C@H](O)C[C@H]1CO ZINC001571238316 953228168 /nfs/dbraw/zinc/22/81/68/953228168.db2.gz ZNFJKISPGOPGHL-LSDHHAIUSA-N -1 3 384.400 0.071 20 0 GCADHM O=C(c1cnco1)N1CCC[C@H](N(CCO)c2ncccc2-c2nnn[n-]2)C1 ZINC001571238313 953228329 /nfs/dbraw/zinc/22/83/29/953228329.db2.gz ZJBMOXMQPBTJRP-LBPRGKRZSA-N -1 3 384.400 0.353 20 0 GCADHM O=C(c1cnco1)N1CCC[C@H](N(CCO)c2ncccc2-c2nn[n-]n2)C1 ZINC001571238313 953228331 /nfs/dbraw/zinc/22/83/31/953228331.db2.gz ZJBMOXMQPBTJRP-LBPRGKRZSA-N -1 3 384.400 0.353 20 0 GCADHM Cc1nc[nH]c1C(=O)N1CCO[C@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238631 953230813 /nfs/dbraw/zinc/23/08/13/953230813.db2.gz ISBKWUIMENBPHC-CABZTGNLSA-N -1 3 384.404 0.030 20 0 GCADHM COc1ncc(NC(=O)N2CCC(Cn3cncn3)CC2)cc1-c1nnn[n-]1 ZINC001571238554 953230897 /nfs/dbraw/zinc/23/08/97/953230897.db2.gz GYCFHWLBGKGOOQ-UHFFFAOYSA-N -1 3 384.404 0.806 20 0 GCADHM COc1ncc(NC(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1-c1nnn[n-]1 ZINC001571238650 953231649 /nfs/dbraw/zinc/23/16/49/953231649.db2.gz JLXIPAHFGMKERZ-LLVKDONJSA-N -1 3 384.404 0.806 20 0 GCADHM COc1ncc(NC(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1-c1nnn[n-]1 ZINC001571238651 953231838 /nfs/dbraw/zinc/23/18/38/953231838.db2.gz JLXIPAHFGMKERZ-NSHDSACASA-N -1 3 384.404 0.806 20 0 GCADHM Cn1cc(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)[nH]c1=O ZINC001571238730 953232351 /nfs/dbraw/zinc/23/23/51/953232351.db2.gz LQNOHCOJYMECOC-SNVBAGLBSA-N -1 3 384.404 0.203 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571238829 953232966 /nfs/dbraw/zinc/23/29/66/953232966.db2.gz ATLMQWGDKLHMAB-XSIBGMEISA-N -1 3 384.415 0.683 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571238829 953232971 /nfs/dbraw/zinc/23/29/71/953232971.db2.gz ATLMQWGDKLHMAB-XSIBGMEISA-N -1 3 384.415 0.683 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1cn[nH]n1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238795 953233040 /nfs/dbraw/zinc/23/30/40/953233040.db2.gz MVMLTRZZKNBYJO-LLVKDONJSA-N -1 3 384.404 0.080 20 0 GCADHM Cc1nc(C(=O)N2CCCO[C@H](CNc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571239134 953236692 /nfs/dbraw/zinc/23/66/92/953236692.db2.gz QZFMHBHQRHBBPC-LLVKDONJSA-N -1 3 384.404 0.031 20 0 GCADHM O=C(NC[C@H]1CCCCCN1C(=O)c1nc[nH]n1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571239791 953242759 /nfs/dbraw/zinc/24/27/59/953242759.db2.gz XWEGINHADRZUSR-SNVBAGLBSA-N -1 3 384.404 0.128 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@H](C)C2)C1 ZINC001571241470 953246464 /nfs/dbraw/zinc/24/64/64/953246464.db2.gz AGQGYNMPHMIGIG-IAQYHMDHSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@H](C)C2)C1 ZINC001571241470 953246469 /nfs/dbraw/zinc/24/64/69/953246469.db2.gz AGQGYNMPHMIGIG-IAQYHMDHSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571241503 953247194 /nfs/dbraw/zinc/24/71/94/953247194.db2.gz BLXOQDIKDGPUNP-CYBMUJFWSA-N -1 3 384.444 0.025 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571241503 953247197 /nfs/dbraw/zinc/24/71/97/953247197.db2.gz BLXOQDIKDGPUNP-CYBMUJFWSA-N -1 3 384.444 0.025 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001571241563 953247438 /nfs/dbraw/zinc/24/74/38/953247438.db2.gz DNHVBXKAXHSVIG-QLPKVWCKSA-N -1 3 384.440 0.412 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)[C@H]2C)C1 ZINC001571241644 953248040 /nfs/dbraw/zinc/24/80/40/953248040.db2.gz HBVXSOVKWZJYKC-XHDPSFHLSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)[C@H]2C)C1 ZINC001571241644 953248047 /nfs/dbraw/zinc/24/80/47/953248047.db2.gz HBVXSOVKWZJYKC-XHDPSFHLSA-N -1 3 384.444 0.214 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCNC(=O)[C@H]1c1cccs1 ZINC001571241751 953249362 /nfs/dbraw/zinc/24/93/62/953249362.db2.gz KOTYUBFRNWVJGJ-CQSZACIVSA-N -1 3 384.425 0.435 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCNC(=O)[C@H]1c1cccs1 ZINC001571241751 953249363 /nfs/dbraw/zinc/24/93/63/953249363.db2.gz KOTYUBFRNWVJGJ-CQSZACIVSA-N -1 3 384.425 0.435 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571241935 953251193 /nfs/dbraw/zinc/25/11/93/953251193.db2.gz QDOUWPWDBULUCL-LJIGWXMPSA-N -1 3 384.440 0.458 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571241899 953251512 /nfs/dbraw/zinc/25/15/12/953251512.db2.gz PAETUWTUUCHFCD-CQSZACIVSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571241899 953251514 /nfs/dbraw/zinc/25/15/14/953251514.db2.gz PAETUWTUUCHFCD-CQSZACIVSA-N -1 3 384.444 0.451 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571242095 953252965 /nfs/dbraw/zinc/25/29/65/953252965.db2.gz BCMMYHOGIVJHGM-MRVWCRGKSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571242095 953252967 /nfs/dbraw/zinc/25/29/67/953252967.db2.gz BCMMYHOGIVJHGM-MRVWCRGKSA-N -1 3 384.444 0.531 20 0 GCADHM O=C(NCCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571242148 953253789 /nfs/dbraw/zinc/25/37/89/953253789.db2.gz VPWKOEHWYKYZGZ-JKSUJKDBSA-N -1 3 384.440 0.317 20 0 GCADHM O=C(NCCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571242148 953253790 /nfs/dbraw/zinc/25/37/90/953253790.db2.gz VPWKOEHWYKYZGZ-JKSUJKDBSA-N -1 3 384.440 0.317 20 0 GCADHM CN(C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571242139 953253865 /nfs/dbraw/zinc/25/38/65/953253865.db2.gz BVDGQPQBZVJYME-OLZOCXBDSA-N -1 3 384.444 0.025 20 0 GCADHM CN(C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571242139 953253869 /nfs/dbraw/zinc/25/38/69/953253869.db2.gz BVDGQPQBZVJYME-OLZOCXBDSA-N -1 3 384.444 0.025 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571242362 953255521 /nfs/dbraw/zinc/25/55/21/953255521.db2.gz DLSSVPFRVNNEQM-GXTWGEPZSA-N -1 3 384.444 0.533 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571242362 953255527 /nfs/dbraw/zinc/25/55/27/953255527.db2.gz DLSSVPFRVNNEQM-GXTWGEPZSA-N -1 3 384.444 0.533 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242465 953256872 /nfs/dbraw/zinc/25/68/72/953256872.db2.gz HCVAZXRNDGOIKB-UXIGCNINSA-N -1 3 384.444 0.579 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242465 953256877 /nfs/dbraw/zinc/25/68/77/953256877.db2.gz HCVAZXRNDGOIKB-UXIGCNINSA-N -1 3 384.444 0.579 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571242521 953256972 /nfs/dbraw/zinc/25/69/72/953256972.db2.gz IELCMZUDVXDJFK-UONOGXRCSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571242521 953256976 /nfs/dbraw/zinc/25/69/76/953256976.db2.gz IELCMZUDVXDJFK-UONOGXRCSA-N -1 3 384.444 0.676 20 0 GCADHM CN(C(=O)C[C@H]1CCN(C)C1=O)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571242481 953257127 /nfs/dbraw/zinc/25/71/27/953257127.db2.gz HOWAXDMSUFSQNR-OLZOCXBDSA-N -1 3 384.444 0.167 20 0 GCADHM CN(C(=O)C[C@H]1CCN(C)C1=O)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571242481 953257129 /nfs/dbraw/zinc/25/71/29/953257129.db2.gz HOWAXDMSUFSQNR-OLZOCXBDSA-N -1 3 384.444 0.167 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571242472 953257163 /nfs/dbraw/zinc/25/71/63/953257163.db2.gz HFSZCZKLINYCRL-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571242472 953257164 /nfs/dbraw/zinc/25/71/64/953257164.db2.gz HFSZCZKLINYCRL-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242653 953258371 /nfs/dbraw/zinc/25/83/71/953258371.db2.gz KYYVOQCCWHPXSP-TZMCWYRMSA-N -1 3 384.444 0.533 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242653 953258375 /nfs/dbraw/zinc/25/83/75/953258375.db2.gz KYYVOQCCWHPXSP-TZMCWYRMSA-N -1 3 384.444 0.533 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242650 953258613 /nfs/dbraw/zinc/25/86/13/953258613.db2.gz KYYVOQCCWHPXSP-GXTWGEPZSA-N -1 3 384.444 0.533 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242650 953258614 /nfs/dbraw/zinc/25/86/14/953258614.db2.gz KYYVOQCCWHPXSP-GXTWGEPZSA-N -1 3 384.444 0.533 20 0 GCADHM CN(C(=O)[C@H]1CCNC(=O)CC1)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242764 953259085 /nfs/dbraw/zinc/25/90/85/953259085.db2.gz NKWPYTIPEBSLTL-LMWSTFAQSA-N -1 3 384.444 0.579 20 0 GCADHM CN(C(=O)[C@H]1CCNC(=O)CC1)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242764 953259087 /nfs/dbraw/zinc/25/90/87/953259087.db2.gz NKWPYTIPEBSLTL-LMWSTFAQSA-N -1 3 384.444 0.579 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571243065 953262931 /nfs/dbraw/zinc/26/29/31/953262931.db2.gz VAPAUSYCTJRGJO-GXTWGEPZSA-N -1 3 384.444 0.533 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571243065 953262935 /nfs/dbraw/zinc/26/29/35/953262935.db2.gz VAPAUSYCTJRGJO-GXTWGEPZSA-N -1 3 384.444 0.533 20 0 GCADHM CN(C[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571243146 953263165 /nfs/dbraw/zinc/26/31/65/953263165.db2.gz XENFQNKXGFBMAO-CHWSQXEVSA-N -1 3 384.444 0.073 20 0 GCADHM CN(C[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571243146 953263167 /nfs/dbraw/zinc/26/31/67/953263167.db2.gz XENFQNKXGFBMAO-CHWSQXEVSA-N -1 3 384.444 0.073 20 0 GCADHM CC1(C)CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571243114 953263358 /nfs/dbraw/zinc/26/33/58/953263358.db2.gz WQCRSKOHGHNYPB-BXUZGUMPSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571243114 953263361 /nfs/dbraw/zinc/26/33/61/953263361.db2.gz WQCRSKOHGHNYPB-BXUZGUMPSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC001571243217 953263952 /nfs/dbraw/zinc/26/39/52/953263952.db2.gz ZQFYXDYBHAJGBM-ZIAGYGMSSA-N -1 3 384.444 0.261 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC001571243217 953263954 /nfs/dbraw/zinc/26/39/54/953263954.db2.gz ZQFYXDYBHAJGBM-ZIAGYGMSSA-N -1 3 384.444 0.261 20 0 GCADHM CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571243222 953263993 /nfs/dbraw/zinc/26/39/93/953263993.db2.gz ZSZNOQWPKMYTLQ-OLZOCXBDSA-N -1 3 384.444 0.167 20 0 GCADHM CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571243222 953263995 /nfs/dbraw/zinc/26/39/95/953263995.db2.gz ZSZNOQWPKMYTLQ-OLZOCXBDSA-N -1 3 384.444 0.167 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571243233 953264106 /nfs/dbraw/zinc/26/41/06/953264106.db2.gz ZZTZNOYFKNXSEP-WHOFXGATSA-N -1 3 384.444 0.579 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571243233 953264109 /nfs/dbraw/zinc/26/41/09/953264109.db2.gz ZZTZNOYFKNXSEP-WHOFXGATSA-N -1 3 384.444 0.579 20 0 GCADHM CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571243223 953264277 /nfs/dbraw/zinc/26/42/77/953264277.db2.gz 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CCn1cc(CN(C)C[C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001571244972 953269043 /nfs/dbraw/zinc/26/90/43/953269043.db2.gz BJRZFIHWMVRTAZ-AWEZNQCLSA-N -1 3 384.448 0.543 20 0 GCADHM CCn1cc(CN(C)C[C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001571244972 953269044 /nfs/dbraw/zinc/26/90/44/953269044.db2.gz BJRZFIHWMVRTAZ-AWEZNQCLSA-N -1 3 384.448 0.543 20 0 GCADHM CCn1nncc1CN1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001571245067 953269541 /nfs/dbraw/zinc/26/95/41/953269541.db2.gz DDCJPOVLCMRNBJ-WCQYABFASA-N -1 3 384.448 0.589 20 0 GCADHM CCn1nncc1CN1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001571245067 953269545 /nfs/dbraw/zinc/26/95/45/953269545.db2.gz DDCJPOVLCMRNBJ-WCQYABFASA-N -1 3 384.448 0.589 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571245050 953269956 /nfs/dbraw/zinc/26/99/56/953269956.db2.gz CYFAGEDZERQQHX-LBPRGKRZSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571245050 953269959 /nfs/dbraw/zinc/26/99/59/953269959.db2.gz CYFAGEDZERQQHX-LBPRGKRZSA-N -1 3 384.448 0.762 20 0 GCADHM CCn1ncnc1CN1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571245135 953270329 /nfs/dbraw/zinc/27/03/29/953270329.db2.gz DNXHFOGLIZTOLS-VXGBXAGGSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1ncnc1CN1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571245135 953270332 /nfs/dbraw/zinc/27/03/32/953270332.db2.gz DNXHFOGLIZTOLS-VXGBXAGGSA-N -1 3 384.448 0.589 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCN(Cc2nncn2C)C1 ZINC001571245146 953270620 /nfs/dbraw/zinc/27/06/20/953270620.db2.gz DRWYSCNOIJHFND-NEPJUHHUSA-N -1 3 384.448 0.354 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCN(Cc2nncn2C)C1 ZINC001571245146 953270624 /nfs/dbraw/zinc/27/06/24/953270624.db2.gz DRWYSCNOIJHFND-NEPJUHHUSA-N -1 3 384.448 0.354 20 0 GCADHM CCn1nncc1CN(C)C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571245774 953276902 /nfs/dbraw/zinc/27/69/02/953276902.db2.gz MLBMHXDFVXYOBJ-CYBMUJFWSA-N -1 3 384.448 0.543 20 0 GCADHM CCn1nncc1CN(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571245774 953276905 /nfs/dbraw/zinc/27/69/05/953276905.db2.gz MLBMHXDFVXYOBJ-CYBMUJFWSA-N -1 3 384.448 0.543 20 0 GCADHM CCn1ncnc1CN1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571245993 953279035 /nfs/dbraw/zinc/27/90/35/953279035.db2.gz QCLUJKCDEDUSJU-ZDUSSCGKSA-N -1 3 384.448 0.591 20 0 GCADHM CCn1ncnc1CN1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571245993 953279038 /nfs/dbraw/zinc/27/90/38/953279038.db2.gz QCLUJKCDEDUSJU-ZDUSSCGKSA-N -1 3 384.448 0.591 20 0 GCADHM CCCn1ncnc1CN[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571246035 953279388 /nfs/dbraw/zinc/27/93/88/953279388.db2.gz RCTMOEBVPOGBIA-NWDGAFQWSA-N -1 3 384.448 0.589 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001571246095 953279986 /nfs/dbraw/zinc/27/99/86/953279986.db2.gz SNIBCTCUBHBZTF-LBPRGKRZSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001571246095 953279990 /nfs/dbraw/zinc/27/99/90/953279990.db2.gz SNIBCTCUBHBZTF-LBPRGKRZSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)(C)n1ncnc1CN[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571246363 953282689 /nfs/dbraw/zinc/28/26/89/953282689.db2.gz YUEJWWXTYAVGFZ-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571246363 953282691 /nfs/dbraw/zinc/28/26/91/953282691.db2.gz YUEJWWXTYAVGFZ-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM O=C(CN1CCCC1=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571247636 953284276 /nfs/dbraw/zinc/28/42/76/953284276.db2.gz AWWFAUISQUALEM-CQSZACIVSA-N -1 3 384.444 0.677 20 0 GCADHM O=C(CN1CCCC1=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571247636 953284278 /nfs/dbraw/zinc/28/42/78/953284278.db2.gz AWWFAUISQUALEM-CQSZACIVSA-N -1 3 384.444 0.677 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]2C)ccc1-c1nnn[n-]1 ZINC001571247662 953284734 /nfs/dbraw/zinc/28/47/34/953284734.db2.gz BGOSQJADFPXACU-MPKXVKKWSA-N -1 3 384.444 0.498 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)C[C@H]3CCC(=O)N3)C[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571247662 953284736 /nfs/dbraw/zinc/28/47/36/953284736.db2.gz BGOSQJADFPXACU-MPKXVKKWSA-N -1 3 384.444 0.498 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001571247693 953284994 /nfs/dbraw/zinc/28/49/94/953284994.db2.gz BMZKTMDYIBLVDQ-CYBMUJFWSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001571247693 953284995 /nfs/dbraw/zinc/28/49/95/953284995.db2.gz BMZKTMDYIBLVDQ-CYBMUJFWSA-N -1 3 384.444 0.723 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)n1 ZINC001571248546 953294235 /nfs/dbraw/zinc/29/42/35/953294235.db2.gz GIAQXUBUIAAGOY-GXTWGEPZSA-N -1 3 384.444 0.642 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)n1 ZINC001571248546 953294238 /nfs/dbraw/zinc/29/42/38/953294238.db2.gz GIAQXUBUIAAGOY-GXTWGEPZSA-N -1 3 384.444 0.642 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@@H]2CCNC(=O)C2)ccc1-c1nnn[n-]1 ZINC001571248791 953297169 /nfs/dbraw/zinc/29/71/69/953297169.db2.gz ILWXLHROPJGJCF-CHWSQXEVSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@@H]2CCNC(=O)C2)ccc1-c1nn[n-]n1 ZINC001571248791 953297173 /nfs/dbraw/zinc/29/71/73/953297173.db2.gz ILWXLHROPJGJCF-CHWSQXEVSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)n1 ZINC001571248848 953297701 /nfs/dbraw/zinc/29/77/01/953297701.db2.gz KFVKLXHXUPHHDG-FDYHWXHSSA-N -1 3 384.444 0.388 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[C@H]3C(N)=O)C2)n1 ZINC001571248848 953297706 /nfs/dbraw/zinc/29/77/06/953297706.db2.gz KFVKLXHXUPHHDG-FDYHWXHSSA-N -1 3 384.444 0.388 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC001571248830 953298019 /nfs/dbraw/zinc/29/80/19/953298019.db2.gz JSMYVFJYGZCVSK-OAHLLOKOSA-N -1 3 384.444 0.106 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC001571248830 953298022 /nfs/dbraw/zinc/29/80/22/953298022.db2.gz JSMYVFJYGZCVSK-OAHLLOKOSA-N -1 3 384.444 0.106 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3C)C2)ccc1-c1nnn[n-]1 ZINC001571248865 953298049 /nfs/dbraw/zinc/29/80/49/953298049.db2.gz KRLFAVPDYYERQM-GXTWGEPZSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3C)C2)ccc1-c1nn[n-]n1 ZINC001571248865 953298052 /nfs/dbraw/zinc/29/80/52/953298052.db2.gz KRLFAVPDYYERQM-GXTWGEPZSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2(C)C)ccc1-c1nnn[n-]1 ZINC001571248799 953298235 /nfs/dbraw/zinc/29/82/35/953298235.db2.gz ISLCACHJXOMVGB-FRRDWIJNSA-N -1 3 384.444 0.340 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2(C)C)ccc1-c1nn[n-]n1 ZINC001571248799 953298240 /nfs/dbraw/zinc/29/82/40/953298240.db2.gz 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/nfs/dbraw/zinc/19/60/27/531196027.db2.gz WLYBZJNEUGZYFC-MRVPVSSYSA-N -1 3 385.837 0.212 20 0 GCADHM CNC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000443054849 531196028 /nfs/dbraw/zinc/19/60/28/531196028.db2.gz WLYBZJNEUGZYFC-MRVPVSSYSA-N -1 3 385.837 0.212 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)[N-]CC(=O)N1CCc2ccccc21 ZINC000443079931 531196585 /nfs/dbraw/zinc/19/65/85/531196585.db2.gz PMVUWRBBQPEUQC-UHFFFAOYSA-N -1 3 381.435 0.797 20 0 GCADHM Cc1cc(CS(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)on1 ZINC000443093691 531196704 /nfs/dbraw/zinc/19/67/04/531196704.db2.gz BAKYEAOUDBSHLT-UHFFFAOYSA-N -1 3 395.409 0.659 20 0 GCADHM Cc1ccc(S(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cn1 ZINC000443105477 531197118 /nfs/dbraw/zinc/19/71/18/531197118.db2.gz UPJVRBLOWZYNCA-UHFFFAOYSA-N -1 3 391.421 0.925 20 0 GCADHM O=C1CCc2cc(Br)c(S(=O)(=O)[N-]CCOCCO)cc2N1 ZINC000443128231 531197259 /nfs/dbraw/zinc/19/72/59/531197259.db2.gz KCTGTOVXSOLPQN-UHFFFAOYSA-N -1 3 393.259 0.621 20 0 GCADHM CN1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)C(C)(C)C1 ZINC000566485862 531198565 /nfs/dbraw/zinc/19/85/65/531198565.db2.gz BHONOZNKQPVFGR-UHFFFAOYSA-N -1 3 393.535 0.287 20 0 GCADHM C[C@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C(C)(F)F ZINC000566487167 531199124 /nfs/dbraw/zinc/19/91/24/531199124.db2.gz PFJQAEYNVDCMMQ-JTQLQIEISA-N -1 3 386.442 0.621 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN(C3CCC3)CC2)cc1 ZINC000737777226 598825912 /nfs/dbraw/zinc/82/59/12/598825912.db2.gz QYEJGMGNYILZDP-UHFFFAOYSA-N -1 3 393.455 0.945 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000736881184 598827177 /nfs/dbraw/zinc/82/71/77/598827177.db2.gz ANMJJERDAMAMAK-NEPJUHHUSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000736881184 598827179 /nfs/dbraw/zinc/82/71/79/598827179.db2.gz ANMJJERDAMAMAK-NEPJUHHUSA-N -1 3 394.457 0.174 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000736480084 598828540 /nfs/dbraw/zinc/82/85/40/598828540.db2.gz JZKNZYPKCSIFJP-GOSISDBHSA-N -1 3 387.444 0.993 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)CN1C(=O)N[C@](C)(COC)C1=O ZINC000736480084 598828541 /nfs/dbraw/zinc/82/85/41/598828541.db2.gz JZKNZYPKCSIFJP-GOSISDBHSA-N -1 3 387.444 0.993 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000736480085 598828785 /nfs/dbraw/zinc/82/87/85/598828785.db2.gz JZKNZYPKCSIFJP-SFHVURJKSA-N -1 3 387.444 0.993 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)CN1C(=O)N[C@@](C)(COC)C1=O ZINC000736480085 598828786 /nfs/dbraw/zinc/82/87/86/598828786.db2.gz JZKNZYPKCSIFJP-SFHVURJKSA-N -1 3 387.444 0.993 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735571442 598831253 /nfs/dbraw/zinc/83/12/53/598831253.db2.gz DFJUADBYLKMIMN-YRGRVCCFSA-N -1 3 383.474 0.360 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736884571 598833649 /nfs/dbraw/zinc/83/36/49/598833649.db2.gz VTAMBPWQRXRNPD-NSHDSACASA-N -1 3 397.461 0.029 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000736884634 598833938 /nfs/dbraw/zinc/83/39/38/598833938.db2.gz WHSDBEHBSFAADK-SNVBAGLBSA-N -1 3 399.502 0.270 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735572154 598835838 /nfs/dbraw/zinc/83/58/38/598835838.db2.gz SEEKVKCXKSDDKG-RKDXNWHRSA-N -1 3 391.450 0.448 20 0 GCADHM CN(C)C(=O)C1(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCCC1 ZINC000736747362 598836348 /nfs/dbraw/zinc/83/63/48/598836348.db2.gz RJNYKYNVTNQKAD-UHFFFAOYSA-N -1 3 396.448 0.933 20 0 GCADHM CN(C)C(=O)C1(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC000736747362 598836350 /nfs/dbraw/zinc/83/63/50/598836350.db2.gz RJNYKYNVTNQKAD-UHFFFAOYSA-N -1 3 396.448 0.933 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736655672 598836420 /nfs/dbraw/zinc/83/64/20/598836420.db2.gz CNHFEWMSRSNTEE-LLVKDONJSA-N -1 3 387.487 0.452 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736655672 598836422 /nfs/dbraw/zinc/83/64/22/598836422.db2.gz CNHFEWMSRSNTEE-LLVKDONJSA-N -1 3 387.487 0.452 20 0 GCADHM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738342827 598837031 /nfs/dbraw/zinc/83/70/31/598837031.db2.gz LSUYPQLSPLKEHV-QMMMGPOBSA-N -1 3 380.821 0.405 20 0 GCADHM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738342827 598837033 /nfs/dbraw/zinc/83/70/33/598837033.db2.gz LSUYPQLSPLKEHV-QMMMGPOBSA-N -1 3 380.821 0.405 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736656562 598838862 /nfs/dbraw/zinc/83/88/62/598838862.db2.gz JNPAINXWXGEBFH-LLVKDONJSA-N -1 3 396.477 0.138 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736656562 598838864 /nfs/dbraw/zinc/83/88/64/598838864.db2.gz JNPAINXWXGEBFH-LLVKDONJSA-N -1 3 396.477 0.138 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000737062429 598842003 /nfs/dbraw/zinc/84/20/03/598842003.db2.gz LVYHFJOQULIHCU-UHFFFAOYSA-N -1 3 392.372 0.914 20 0 GCADHM COCCS(=O)(=O)CCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737014931 598843658 /nfs/dbraw/zinc/84/36/58/598843658.db2.gz SGISCNRNCSWEOA-FPLPWBNLSA-N -1 3 380.426 0.874 20 0 GCADHM COCCS(=O)(=O)CCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737014931 598843659 /nfs/dbraw/zinc/84/36/59/598843659.db2.gz SGISCNRNCSWEOA-FPLPWBNLSA-N -1 3 380.426 0.874 20 0 GCADHM COC(=O)CCc1nc(COC(=O)COc2cccc(-c3nnn[n-]3)c2)no1 ZINC000736919919 598843838 /nfs/dbraw/zinc/84/38/38/598843838.db2.gz ZLVYARYHUGDRCS-UHFFFAOYSA-N -1 3 388.340 0.478 20 0 GCADHM COC(=O)CCc1nc(COC(=O)COc2cccc(-c3nn[n-]n3)c2)no1 ZINC000736919919 598843840 /nfs/dbraw/zinc/84/38/40/598843840.db2.gz ZLVYARYHUGDRCS-UHFFFAOYSA-N -1 3 388.340 0.478 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C(=O)C1CC1 ZINC000736788829 598846089 /nfs/dbraw/zinc/84/60/89/598846089.db2.gz XOKLYJJPSSMBBH-UHFFFAOYSA-N -1 3 392.803 0.870 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C(=O)C1CC1 ZINC000736788829 598846090 /nfs/dbraw/zinc/84/60/90/598846090.db2.gz XOKLYJJPSSMBBH-UHFFFAOYSA-N -1 3 392.803 0.870 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737202456 598846546 /nfs/dbraw/zinc/84/65/46/598846546.db2.gz MTWCPVXWMQWIPS-UHFFFAOYSA-N -1 3 395.379 0.676 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737202456 598846548 /nfs/dbraw/zinc/84/65/48/598846548.db2.gz MTWCPVXWMQWIPS-UHFFFAOYSA-N -1 3 395.379 0.676 20 0 GCADHM COC(=O)NCCC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736937196 598846670 /nfs/dbraw/zinc/84/66/70/598846670.db2.gz LNFXOGPUIRPWHY-UHFFFAOYSA-N -1 3 382.764 0.748 20 0 GCADHM COC(=O)NCCC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736937196 598846671 /nfs/dbraw/zinc/84/66/71/598846671.db2.gz LNFXOGPUIRPWHY-UHFFFAOYSA-N -1 3 382.764 0.748 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737203366 598846895 /nfs/dbraw/zinc/84/68/95/598846895.db2.gz SMDPLSGOJWRMHY-UHFFFAOYSA-N -1 3 383.343 0.936 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737203366 598846897 /nfs/dbraw/zinc/84/68/97/598846897.db2.gz SMDPLSGOJWRMHY-UHFFFAOYSA-N -1 3 383.343 0.936 20 0 GCADHM CC(=O)NC[C@H]1CN(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000735473902 598852270 /nfs/dbraw/zinc/85/22/70/598852270.db2.gz KTBYLCMTYMWHAS-INIZCTEOSA-N -1 3 397.443 0.228 20 0 GCADHM CC(=O)NC[C@H]1CN(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000735473902 598852272 /nfs/dbraw/zinc/85/22/72/598852272.db2.gz KTBYLCMTYMWHAS-INIZCTEOSA-N -1 3 397.443 0.228 20 0 GCADHM CCN(C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CS(=O)(=O)CC ZINC000736503634 598854159 /nfs/dbraw/zinc/85/41/59/598854159.db2.gz ZCIAYFVIKJQUDK-NSHDSACASA-N -1 3 394.457 0.477 20 0 GCADHM CCN(C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CS(=O)(=O)CC ZINC000736503634 598854160 /nfs/dbraw/zinc/85/41/60/598854160.db2.gz ZCIAYFVIKJQUDK-NSHDSACASA-N -1 3 394.457 0.477 20 0 GCADHM Cc1nnc(CN2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)n1C ZINC000737520136 598854510 /nfs/dbraw/zinc/85/45/10/598854510.db2.gz DJZMBBNJQLARMX-UHFFFAOYSA-N -1 3 375.387 0.904 20 0 GCADHM Cc1nnc(CN2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)n1C ZINC000737520136 598854512 /nfs/dbraw/zinc/85/45/12/598854512.db2.gz DJZMBBNJQLARMX-UHFFFAOYSA-N -1 3 375.387 0.904 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncccn2)CC1 ZINC000736900753 598857498 /nfs/dbraw/zinc/85/74/98/598857498.db2.gz FSDOOMGRRVNHPJ-HNNXBMFYSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncccn2)CC1 ZINC000736900753 598857500 /nfs/dbraw/zinc/85/75/00/598857500.db2.gz FSDOOMGRRVNHPJ-HNNXBMFYSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000736902258 598860221 /nfs/dbraw/zinc/86/02/21/598860221.db2.gz SEISAMLXHHEEOE-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000736902258 598860222 /nfs/dbraw/zinc/86/02/22/598860222.db2.gz SEISAMLXHHEEOE-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000736899558 598861879 /nfs/dbraw/zinc/86/18/79/598861879.db2.gz BQJHAFNGAFCOHM-IAGOWNOFSA-N -1 3 397.439 0.987 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000736899558 598861880 /nfs/dbraw/zinc/86/18/80/598861880.db2.gz BQJHAFNGAFCOHM-IAGOWNOFSA-N -1 3 397.439 0.987 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](c2noc(C)n2)C1 ZINC000736910254 598862142 /nfs/dbraw/zinc/86/21/42/598862142.db2.gz UXRODONCZRTYSB-UONOGXRCSA-N -1 3 385.384 0.846 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2noc(C)n2)C1 ZINC000736910254 598862144 /nfs/dbraw/zinc/86/21/44/598862144.db2.gz UXRODONCZRTYSB-UONOGXRCSA-N -1 3 385.384 0.846 20 0 GCADHM O=C1CCC(=O)N1CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738299746 598862325 /nfs/dbraw/zinc/86/23/25/598862325.db2.gz BORUBGFOKBCHHL-UHFFFAOYSA-N -1 3 379.833 0.956 20 0 GCADHM O=C1CCC(=O)N1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738299746 598862326 /nfs/dbraw/zinc/86/23/26/598862326.db2.gz BORUBGFOKBCHHL-UHFFFAOYSA-N -1 3 379.833 0.956 20 0 GCADHM C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000736102064 598863173 /nfs/dbraw/zinc/86/31/73/598863173.db2.gz QIQSVDAGWCKETA-YGRLFVJLSA-N -1 3 383.412 0.986 20 0 GCADHM C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000736102064 598863175 /nfs/dbraw/zinc/86/31/75/598863175.db2.gz QIQSVDAGWCKETA-YGRLFVJLSA-N -1 3 383.412 0.986 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736910701 598863258 /nfs/dbraw/zinc/86/32/58/598863258.db2.gz YAHKMUQNBAEHES-HUUCEWRRSA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736910701 598863259 /nfs/dbraw/zinc/86/32/59/598863259.db2.gz YAHKMUQNBAEHES-HUUCEWRRSA-N -1 3 384.400 0.073 20 0 GCADHM COCCN(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736988735 598863303 /nfs/dbraw/zinc/86/33/03/598863303.db2.gz RCOWGKRXDFGQCC-ZDUSSCGKSA-N -1 3 387.400 0.177 20 0 GCADHM COCCN(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736988735 598863304 /nfs/dbraw/zinc/86/33/04/598863304.db2.gz RCOWGKRXDFGQCC-ZDUSSCGKSA-N -1 3 387.400 0.177 20 0 GCADHM COC[C@@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000736974138 598865209 /nfs/dbraw/zinc/86/52/09/598865209.db2.gz XKRHMPDJOZTBOQ-CYBMUJFWSA-N -1 3 382.428 0.959 20 0 GCADHM CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736479137 598868501 /nfs/dbraw/zinc/86/85/01/598868501.db2.gz AVPVICNGUVLMQP-UHFFFAOYSA-N -1 3 396.448 0.933 20 0 GCADHM CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736479137 598868503 /nfs/dbraw/zinc/86/85/03/598868503.db2.gz AVPVICNGUVLMQP-UHFFFAOYSA-N -1 3 396.448 0.933 20 0 GCADHM O=C(NCCN1C(=O)CCC1=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738075514 598869048 /nfs/dbraw/zinc/86/90/48/598869048.db2.gz PIGHHEKIJLXMQP-AWEZNQCLSA-N -1 3 383.412 0.101 20 0 GCADHM CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736876705 598869603 /nfs/dbraw/zinc/86/96/03/598869603.db2.gz CMRYTNJIFAXKJJ-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736876705 598869604 /nfs/dbraw/zinc/86/96/04/598869604.db2.gz CMRYTNJIFAXKJJ-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000738023869 598869822 /nfs/dbraw/zinc/86/98/22/598869822.db2.gz WHCYPZJNSLDIOR-LBPRGKRZSA-N -1 3 380.405 0.438 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000738023869 598869824 /nfs/dbraw/zinc/86/98/24/598869824.db2.gz WHCYPZJNSLDIOR-LBPRGKRZSA-N -1 3 380.405 0.438 20 0 GCADHM O=C1NCCN1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000738319341 598871303 /nfs/dbraw/zinc/87/13/03/598871303.db2.gz OBECCGYKRPMMJM-UHFFFAOYSA-N -1 3 395.420 0.184 20 0 GCADHM O=C1NCCN1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738319341 598871305 /nfs/dbraw/zinc/87/13/05/598871305.db2.gz OBECCGYKRPMMJM-UHFFFAOYSA-N -1 3 395.420 0.184 20 0 GCADHM Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)C2)cn1 ZINC000737607353 598876078 /nfs/dbraw/zinc/87/60/78/598876078.db2.gz YBINJIYPCSOWHI-LLVKDONJSA-N -1 3 377.405 0.918 20 0 GCADHM Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)C2)cn1 ZINC000737607353 598876079 /nfs/dbraw/zinc/87/60/79/598876079.db2.gz YBINJIYPCSOWHI-LLVKDONJSA-N -1 3 377.405 0.918 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCOC[C@H]1C(F)(F)F ZINC000738354639 598876466 /nfs/dbraw/zinc/87/64/66/598876466.db2.gz IVUSYMDJMRWVPW-JTQLQIEISA-N -1 3 381.311 0.958 20 0 GCADHM CNC(=O)c1cccc(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736881974 598878611 /nfs/dbraw/zinc/87/86/11/598878611.db2.gz MNRSEVMKPWQLFY-UHFFFAOYSA-N -1 3 394.391 0.700 20 0 GCADHM CNC(=O)c1cccc(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736881974 598878612 /nfs/dbraw/zinc/87/86/12/598878612.db2.gz MNRSEVMKPWQLFY-UHFFFAOYSA-N -1 3 394.391 0.700 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736908527 598878654 /nfs/dbraw/zinc/87/86/54/598878654.db2.gz MBGFCNMZLVVWNO-AWEZNQCLSA-N -1 3 398.423 0.398 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736908527 598878656 /nfs/dbraw/zinc/87/86/56/598878656.db2.gz MBGFCNMZLVVWNO-AWEZNQCLSA-N -1 3 398.423 0.398 20 0 GCADHM CCN(CCCN[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC000736538429 598881059 /nfs/dbraw/zinc/88/10/59/598881059.db2.gz WMLGLVNUDSEHNR-AWEZNQCLSA-N -1 3 396.473 0.342 20 0 GCADHM CCN(CCCN[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000736538429 598881061 /nfs/dbraw/zinc/88/10/61/598881061.db2.gz WMLGLVNUDSEHNR-AWEZNQCLSA-N -1 3 396.473 0.342 20 0 GCADHM CCN(CCCN[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC000736538431 598881160 /nfs/dbraw/zinc/88/11/60/598881160.db2.gz WMLGLVNUDSEHNR-CQSZACIVSA-N -1 3 396.473 0.342 20 0 GCADHM CCN(CCCN[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000736538431 598881162 /nfs/dbraw/zinc/88/11/62/598881162.db2.gz WMLGLVNUDSEHNR-CQSZACIVSA-N -1 3 396.473 0.342 20 0 GCADHM COC(=O)[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894771 598884764 /nfs/dbraw/zinc/88/47/64/598884764.db2.gz IHCNJDPFFDOENR-NWDGAFQWSA-N -1 3 398.345 0.834 20 0 GCADHM COC(=O)[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894771 598884765 /nfs/dbraw/zinc/88/47/65/598884765.db2.gz IHCNJDPFFDOENR-NWDGAFQWSA-N -1 3 398.345 0.834 20 0 GCADHM COC(=O)[C@H](NCc1nnnn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899834 598885118 /nfs/dbraw/zinc/88/51/18/598885118.db2.gz VGWJZTMEVIJBHT-MRXNPFEDSA-N -1 3 391.395 0.846 20 0 GCADHM COC(=O)[C@H](NCc1nnnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899834 598885120 /nfs/dbraw/zinc/88/51/20/598885120.db2.gz VGWJZTMEVIJBHT-MRXNPFEDSA-N -1 3 391.395 0.846 20 0 GCADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000736038773 598889232 /nfs/dbraw/zinc/88/92/32/598889232.db2.gz XLKOGAWETMPRCH-FZMZJTMJSA-N -1 3 395.441 0.601 20 0 GCADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000736038773 598889233 /nfs/dbraw/zinc/88/92/33/598889233.db2.gz XLKOGAWETMPRCH-FZMZJTMJSA-N -1 3 395.441 0.601 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000735559982 598896404 /nfs/dbraw/zinc/89/64/04/598896404.db2.gz BCKGOJMRCIPXLH-NWDGAFQWSA-N -1 3 393.473 0.194 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000735559982 598896406 /nfs/dbraw/zinc/89/64/06/598896406.db2.gz BCKGOJMRCIPXLH-NWDGAFQWSA-N -1 3 393.473 0.194 20 0 GCADHM CC[S@@](=O)CCNC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736663624 598893469 /nfs/dbraw/zinc/89/34/69/598893469.db2.gz ICDQNSPCKYVTJV-AREMUKBSSA-N -1 3 381.458 0.919 20 0 GCADHM CC[S@@](=O)CCNC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736663624 598893470 /nfs/dbraw/zinc/89/34/70/598893470.db2.gz ICDQNSPCKYVTJV-AREMUKBSSA-N -1 3 381.458 0.919 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898230 598894642 /nfs/dbraw/zinc/89/46/42/598894642.db2.gz IYCOFKXPGDZEDQ-CYBMUJFWSA-N -1 3 375.385 0.786 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898230 598894643 /nfs/dbraw/zinc/89/46/43/598894643.db2.gz IYCOFKXPGDZEDQ-CYBMUJFWSA-N -1 3 375.385 0.786 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901240 598896681 /nfs/dbraw/zinc/89/66/81/598896681.db2.gz XEFPACRCPBJNHP-QMTHXVAHSA-N -1 3 394.409 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901240 598896682 /nfs/dbraw/zinc/89/66/82/598896682.db2.gz XEFPACRCPBJNHP-QMTHXVAHSA-N -1 3 394.409 0.449 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000735564506 598896714 /nfs/dbraw/zinc/89/67/14/598896714.db2.gz XVGNJIRTFOXPEY-NEPJUHHUSA-N -1 3 393.473 0.194 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000735564506 598896716 /nfs/dbraw/zinc/89/67/16/598896716.db2.gz XVGNJIRTFOXPEY-NEPJUHHUSA-N -1 3 393.473 0.194 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901293 598897146 /nfs/dbraw/zinc/89/71/46/598897146.db2.gz YZQFLKBJMGYKRK-IINYFYTJSA-N -1 3 392.393 0.572 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901293 598897147 /nfs/dbraw/zinc/89/71/47/598897147.db2.gz YZQFLKBJMGYKRK-IINYFYTJSA-N -1 3 392.393 0.572 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901294 598897152 /nfs/dbraw/zinc/89/71/52/598897152.db2.gz YZQFLKBJMGYKRK-QMTHXVAHSA-N -1 3 392.393 0.572 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901294 598897153 /nfs/dbraw/zinc/89/71/53/598897153.db2.gz YZQFLKBJMGYKRK-QMTHXVAHSA-N -1 3 392.393 0.572 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H](C)N1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894405 598897190 /nfs/dbraw/zinc/89/71/90/598897190.db2.gz CMHILGUIFMCPCT-XPTSAGLGSA-N -1 3 387.352 0.162 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H](C)N1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894405 598897192 /nfs/dbraw/zinc/89/71/92/598897192.db2.gz CMHILGUIFMCPCT-XPTSAGLGSA-N -1 3 387.352 0.162 20 0 GCADHM COC(=O)[C@H](OC(=O)CCCNC(=O)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900734 598898182 /nfs/dbraw/zinc/89/81/82/598898182.db2.gz UFMSOXDLDDTTRE-OAHLLOKOSA-N -1 3 387.396 0.930 20 0 GCADHM COC(=O)[C@H](OC(=O)CCCNC(=O)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900734 598898184 /nfs/dbraw/zinc/89/81/84/598898184.db2.gz UFMSOXDLDDTTRE-OAHLLOKOSA-N -1 3 387.396 0.930 20 0 GCADHM Cc1oc(NC(=O)CN2CCC[C@H](CS(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000737552340 598898387 /nfs/dbraw/zinc/89/83/87/598898387.db2.gz NKWCOONUWHLEOT-NSHDSACASA-N -1 3 397.461 0.016 20 0 GCADHM Cc1oc(NC(=O)CN2CCC[C@H](CS(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000737552340 598898389 /nfs/dbraw/zinc/89/83/89/598898389.db2.gz NKWCOONUWHLEOT-NSHDSACASA-N -1 3 397.461 0.016 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1C ZINC000282324715 598900273 /nfs/dbraw/zinc/90/02/73/598900273.db2.gz WGPRBEDOLZHIBL-UHFFFAOYSA-N -1 3 396.864 0.798 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1C ZINC000282324715 598900274 /nfs/dbraw/zinc/90/02/74/598900274.db2.gz WGPRBEDOLZHIBL-UHFFFAOYSA-N -1 3 396.864 0.798 20 0 GCADHM COC(=O)[C@@H](OC(=O)COC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900502 598900964 /nfs/dbraw/zinc/90/09/64/598900964.db2.gz SBPGWJJZJBKCIQ-HIFRSBDPSA-N -1 3 376.369 0.820 20 0 GCADHM COC(=O)[C@@H](OC(=O)COC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900502 598900966 /nfs/dbraw/zinc/90/09/66/598900966.db2.gz SBPGWJJZJBKCIQ-HIFRSBDPSA-N -1 3 376.369 0.820 20 0 GCADHM O=C(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737906165 598904071 /nfs/dbraw/zinc/90/40/71/598904071.db2.gz CXRDTJHCHYWXPL-YHWZYXNKSA-N -1 3 385.380 0.590 20 0 GCADHM O=C(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737906165 598904072 /nfs/dbraw/zinc/90/40/72/598904072.db2.gz CXRDTJHCHYWXPL-YHWZYXNKSA-N -1 3 385.380 0.590 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)no1 ZINC000736676679 598907732 /nfs/dbraw/zinc/90/77/32/598907732.db2.gz RXGALVHJVFLCBM-UHFFFAOYSA-N -1 3 397.399 0.099 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)no1 ZINC000736676679 598907734 /nfs/dbraw/zinc/90/77/34/598907734.db2.gz RXGALVHJVFLCBM-UHFFFAOYSA-N -1 3 397.399 0.099 20 0 GCADHM COC[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736970213 598908644 /nfs/dbraw/zinc/90/86/44/598908644.db2.gz BUZKAPSIOBGKCW-VIFPVBQESA-N -1 3 396.354 0.902 20 0 GCADHM COC[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736970213 598908645 /nfs/dbraw/zinc/90/86/45/598908645.db2.gz BUZKAPSIOBGKCW-VIFPVBQESA-N -1 3 396.354 0.902 20 0 GCADHM O=C(NC[C@H](O)c1ccsc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738038823 598908757 /nfs/dbraw/zinc/90/87/57/598908757.db2.gz KCAATZGRCBZEQA-LBPRGKRZSA-N -1 3 376.373 0.856 20 0 GCADHM O=C(NC[C@H](O)c1ccsc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738038823 598908758 /nfs/dbraw/zinc/90/87/58/598908758.db2.gz KCAATZGRCBZEQA-LBPRGKRZSA-N -1 3 376.373 0.856 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCc1nc(-c2ccoc2)no1 ZINC000737770458 598909723 /nfs/dbraw/zinc/90/97/23/598909723.db2.gz JAWBYJGTRBNDFG-UHFFFAOYSA-N -1 3 385.344 0.464 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCc1nc(-c2ccoc2)no1 ZINC000737770458 598909725 /nfs/dbraw/zinc/90/97/25/598909725.db2.gz JAWBYJGTRBNDFG-UHFFFAOYSA-N -1 3 385.344 0.464 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000735735637 598909853 /nfs/dbraw/zinc/90/98/53/598909853.db2.gz OUYPGJSFICCWQS-WFASDCNBSA-N -1 3 393.469 0.964 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000735735637 598909854 /nfs/dbraw/zinc/90/98/54/598909854.db2.gz OUYPGJSFICCWQS-WFASDCNBSA-N -1 3 393.469 0.964 20 0 GCADHM Cn1cccc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)c1=O ZINC000737614140 598910795 /nfs/dbraw/zinc/91/07/95/598910795.db2.gz SSFWIGRCQSXYEQ-UHFFFAOYSA-N -1 3 377.368 0.586 20 0 GCADHM Cn1cccc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)c1=O ZINC000737614140 598910797 /nfs/dbraw/zinc/91/07/97/598910797.db2.gz SSFWIGRCQSXYEQ-UHFFFAOYSA-N -1 3 377.368 0.586 20 0 GCADHM COC(=O)C[C@H]1CSCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736912281 598912911 /nfs/dbraw/zinc/91/29/11/598912911.db2.gz PNSPKUAEOBBQTO-LBPRGKRZSA-N -1 3 377.426 0.753 20 0 GCADHM Nc1nc(Cl)ccc1C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737776341 598922672 /nfs/dbraw/zinc/92/26/72/598922672.db2.gz MWYWMTSDPRSHKK-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Nc1nc(Cl)ccc1C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737776341 598922673 /nfs/dbraw/zinc/92/26/73/598922673.db2.gz MWYWMTSDPRSHKK-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Cc1nc(NC(=O)CCOC[C@H]2CCCO2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480920 598923878 /nfs/dbraw/zinc/92/38/78/598923878.db2.gz SPKDADFFWKOMLX-OAHLLOKOSA-N -1 3 398.427 0.702 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)Cn1ccnc1 ZINC000736020047 598929556 /nfs/dbraw/zinc/92/95/56/598929556.db2.gz LIFLODIIWAFPPX-GFCCVEGCSA-N -1 3 392.427 0.897 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)Cn1ccnc1 ZINC000736020047 598929557 /nfs/dbraw/zinc/92/95/57/598929557.db2.gz LIFLODIIWAFPPX-GFCCVEGCSA-N -1 3 392.427 0.897 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(CCn2cncn2)CC1 ZINC000736184881 598930134 /nfs/dbraw/zinc/93/01/34/598930134.db2.gz OYBSQPNRLKTHGQ-CQSZACIVSA-N -1 3 397.443 0.070 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(CCn2cncn2)CC1 ZINC000736184881 598930136 /nfs/dbraw/zinc/93/01/36/598930136.db2.gz OYBSQPNRLKTHGQ-CQSZACIVSA-N -1 3 397.443 0.070 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000737297353 598931817 /nfs/dbraw/zinc/93/18/17/598931817.db2.gz WHUQDUSWTSLOAN-CYBMUJFWSA-N -1 3 388.457 0.872 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000737297353 598931819 /nfs/dbraw/zinc/93/18/19/598931819.db2.gz WHUQDUSWTSLOAN-CYBMUJFWSA-N -1 3 388.457 0.872 20 0 GCADHM C[C@@H](O)C1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CC1 ZINC000736143002 598932997 /nfs/dbraw/zinc/93/29/97/598932997.db2.gz HJTKNLHOIMDVLU-CWTRNNRKSA-N -1 3 399.455 0.684 20 0 GCADHM C[C@@H](O)C1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CC1 ZINC000736143002 598932999 /nfs/dbraw/zinc/93/29/99/598932999.db2.gz HJTKNLHOIMDVLU-CWTRNNRKSA-N -1 3 399.455 0.684 20 0 GCADHM C[C@@H](O)C1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CC1 ZINC000736142997 598933251 /nfs/dbraw/zinc/93/32/51/598933251.db2.gz HJTKNLHOIMDVLU-BLVKFPJESA-N -1 3 399.455 0.684 20 0 GCADHM C[C@@H](O)C1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CC1 ZINC000736142997 598933252 /nfs/dbraw/zinc/93/32/52/598933252.db2.gz HJTKNLHOIMDVLU-BLVKFPJESA-N -1 3 399.455 0.684 20 0 GCADHM Nc1nccnc1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737775667 598933366 /nfs/dbraw/zinc/93/33/66/598933366.db2.gz ABJMIPCXWSANFH-NSHDSACASA-N -1 3 397.424 0.393 20 0 GCADHM Nc1nccnc1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737775667 598933368 /nfs/dbraw/zinc/93/33/68/598933368.db2.gz ABJMIPCXWSANFH-NSHDSACASA-N -1 3 397.424 0.393 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCn1nnn(-c2ccccc2)c1=O ZINC000737031384 598937575 /nfs/dbraw/zinc/93/75/75/598937575.db2.gz AUCRPHPUXLXVJA-UHFFFAOYSA-N -1 3 380.368 0.697 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCn1nnn(-c2ccccc2)c1=O ZINC000737031384 598937576 /nfs/dbraw/zinc/93/75/76/598937576.db2.gz AUCRPHPUXLXVJA-UHFFFAOYSA-N -1 3 380.368 0.697 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCn1c(=O)onc1-c1cnccn1 ZINC000737031994 598939860 /nfs/dbraw/zinc/93/98/60/598939860.db2.gz INIXVXJYFHCLLE-UHFFFAOYSA-N -1 3 382.340 0.561 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCn1c(=O)onc1-c1cnccn1 ZINC000737031994 598939862 /nfs/dbraw/zinc/93/98/62/598939862.db2.gz INIXVXJYFHCLLE-UHFFFAOYSA-N -1 3 382.340 0.561 20 0 GCADHM CC[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736408317 599293444 /nfs/dbraw/zinc/29/34/44/599293444.db2.gz SOLSYWLOFXNXJP-CHWSQXEVSA-N -1 3 377.474 0.899 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000737160691 598944022 /nfs/dbraw/zinc/94/40/22/598944022.db2.gz BOEXHBDQMRLABM-RYUDHWBXSA-N -1 3 379.442 0.718 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737160691 598944023 /nfs/dbraw/zinc/94/40/23/598944023.db2.gz BOEXHBDQMRLABM-RYUDHWBXSA-N -1 3 379.442 0.718 20 0 GCADHM CC[C@@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736408317 599293446 /nfs/dbraw/zinc/29/34/46/599293446.db2.gz SOLSYWLOFXNXJP-CHWSQXEVSA-N -1 3 377.474 0.899 20 0 GCADHM COC(=O)CCN(CC(=O)Nc1sccc1-c1nnn[n-]1)C[C@@H]1CCCO1 ZINC000736913876 598946948 /nfs/dbraw/zinc/94/69/48/598946948.db2.gz ZEOVVVMNXXIXEH-NSHDSACASA-N -1 3 394.457 0.911 20 0 GCADHM COC(=O)CCN(CC(=O)Nc1sccc1-c1nn[n-]n1)C[C@@H]1CCCO1 ZINC000736913876 598946949 /nfs/dbraw/zinc/94/69/49/598946949.db2.gz ZEOVVVMNXXIXEH-NSHDSACASA-N -1 3 394.457 0.911 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCc1nnc2n1CCCCC2 ZINC000737301995 598949641 /nfs/dbraw/zinc/94/96/41/598949641.db2.gz ZVWVUIGWNVXLFK-UHFFFAOYSA-N -1 3 388.457 0.972 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCc1nnc2n1CCCCC2 ZINC000737301995 598949642 /nfs/dbraw/zinc/94/96/42/598949642.db2.gz ZVWVUIGWNVXLFK-UHFFFAOYSA-N -1 3 388.457 0.972 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000737296724 598950002 /nfs/dbraw/zinc/95/00/02/598950002.db2.gz NBHUBKPVHBWTPA-ZDUSSCGKSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000737296724 598950004 /nfs/dbraw/zinc/95/00/04/598950004.db2.gz NBHUBKPVHBWTPA-ZDUSSCGKSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCNC(=O)c1ccco1 ZINC000737298049 598950719 /nfs/dbraw/zinc/95/07/19/598950719.db2.gz MJFJXKXNIXDFKE-UHFFFAOYSA-N -1 3 376.398 0.476 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCNC(=O)c1ccco1 ZINC000737298049 598950720 /nfs/dbraw/zinc/95/07/20/598950720.db2.gz MJFJXKXNIXDFKE-UHFFFAOYSA-N -1 3 376.398 0.476 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000737299022 598951900 /nfs/dbraw/zinc/95/19/00/598951900.db2.gz VLEIMOQMDLQFCJ-OAHLLOKOSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000737299022 598951902 /nfs/dbraw/zinc/95/19/02/598951902.db2.gz VLEIMOQMDLQFCJ-OAHLLOKOSA-N -1 3 394.501 0.810 20 0 GCADHM CC(=O)NCC1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000735474139 598952137 /nfs/dbraw/zinc/95/21/37/598952137.db2.gz HTRKBFNCTOOXMJ-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM CC(=O)NCC1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000735474139 598952139 /nfs/dbraw/zinc/95/21/39/598952139.db2.gz HTRKBFNCTOOXMJ-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCCC[C@@H]1O ZINC000737928114 598955124 /nfs/dbraw/zinc/95/51/24/598955124.db2.gz DYEOFVLMGFJDCQ-CABCVRRESA-N -1 3 393.469 0.449 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000737299500 598955331 /nfs/dbraw/zinc/95/53/31/598955331.db2.gz QQGOTDIPBLNCBU-NSHDSACASA-N -1 3 390.425 0.751 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000737299500 598955332 /nfs/dbraw/zinc/95/53/32/598955332.db2.gz QQGOTDIPBLNCBU-NSHDSACASA-N -1 3 390.425 0.751 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C ZINC000737300473 598956510 /nfs/dbraw/zinc/95/65/10/598956510.db2.gz YWNFROWVUYZEHD-LLVKDONJSA-N -1 3 382.471 0.327 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C ZINC000737300473 598956512 /nfs/dbraw/zinc/95/65/12/598956512.db2.gz YWNFROWVUYZEHD-LLVKDONJSA-N -1 3 382.471 0.327 20 0 GCADHM COC(=O)CCN1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000736918717 598954060 /nfs/dbraw/zinc/95/40/60/598954060.db2.gz JASSCJRDPAHKQU-UHFFFAOYSA-N -1 3 394.457 0.045 20 0 GCADHM COC(=O)CCN1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736918717 598954061 /nfs/dbraw/zinc/95/40/61/598954061.db2.gz JASSCJRDPAHKQU-UHFFFAOYSA-N -1 3 394.457 0.045 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000737297378 598958250 /nfs/dbraw/zinc/95/82/50/598958250.db2.gz XBBKYOWFXYNHNB-GHMZBOCLSA-N -1 3 387.487 0.617 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000737297378 598958251 /nfs/dbraw/zinc/95/82/51/598958251.db2.gz XBBKYOWFXYNHNB-GHMZBOCLSA-N -1 3 387.487 0.617 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736744600 598959692 /nfs/dbraw/zinc/95/96/92/598959692.db2.gz BAMYPHDCXZPOFU-STQMWFEESA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736744600 598959693 /nfs/dbraw/zinc/95/96/93/598959693.db2.gz BAMYPHDCXZPOFU-STQMWFEESA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736744597 598959879 /nfs/dbraw/zinc/95/98/79/598959879.db2.gz BAMYPHDCXZPOFU-CHWSQXEVSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736744597 598959880 /nfs/dbraw/zinc/95/98/80/598959880.db2.gz BAMYPHDCXZPOFU-CHWSQXEVSA-N -1 3 378.458 0.792 20 0 GCADHM COC(=O)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736913671 598959890 /nfs/dbraw/zinc/95/98/90/598959890.db2.gz UXWXZDKXPAMFCV-ZDUSSCGKSA-N -1 3 395.441 0.600 20 0 GCADHM COC(=O)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736913671 598959891 /nfs/dbraw/zinc/95/98/91/598959891.db2.gz UXWXZDKXPAMFCV-ZDUSSCGKSA-N -1 3 395.441 0.600 20 0 GCADHM C[C@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736137007 598960694 /nfs/dbraw/zinc/96/06/94/598960694.db2.gz JMMDGZPDZIIMPQ-NSHDSACASA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736137007 598960696 /nfs/dbraw/zinc/96/06/96/598960696.db2.gz JMMDGZPDZIIMPQ-NSHDSACASA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736136558 598961058 /nfs/dbraw/zinc/96/10/58/598961058.db2.gz GLPLKTSXHZOOTI-LLVKDONJSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736136558 598961060 /nfs/dbraw/zinc/96/10/60/598961060.db2.gz GLPLKTSXHZOOTI-LLVKDONJSA-N -1 3 383.416 0.591 20 0 GCADHM COC(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736947480 598964838 /nfs/dbraw/zinc/96/48/38/598964838.db2.gz MAODGLJTWVCSBK-UHFFFAOYSA-N -1 3 384.352 0.293 20 0 GCADHM COC(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736947480 598964840 /nfs/dbraw/zinc/96/48/40/598964840.db2.gz MAODGLJTWVCSBK-UHFFFAOYSA-N -1 3 384.352 0.293 20 0 GCADHM COC(=O)c1ccc(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)o1 ZINC000736947081 598963004 /nfs/dbraw/zinc/96/30/04/598963004.db2.gz CZQFSAIYYMKOJW-UHFFFAOYSA-N -1 3 386.372 0.553 20 0 GCADHM COC(=O)c1ccc(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)o1 ZINC000736947081 598963006 /nfs/dbraw/zinc/96/30/06/598963006.db2.gz CZQFSAIYYMKOJW-UHFFFAOYSA-N -1 3 386.372 0.553 20 0 GCADHM c1ncn(Cc2cccc(NC[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)c2)n1 ZINC000738413503 598963331 /nfs/dbraw/zinc/96/33/31/598963331.db2.gz SIZVVFWPSZFFPI-CYBMUJFWSA-N -1 3 377.416 0.857 20 0 GCADHM c1ncn(Cc2cccc(NC[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)c2)n1 ZINC000738413503 598963332 /nfs/dbraw/zinc/96/33/32/598963332.db2.gz SIZVVFWPSZFFPI-CYBMUJFWSA-N -1 3 377.416 0.857 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736748136 598964136 /nfs/dbraw/zinc/96/41/36/598964136.db2.gz WCLUJMHBWWYDLP-GJZGRUSLSA-N -1 3 399.455 0.360 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736748136 598964137 /nfs/dbraw/zinc/96/41/37/598964137.db2.gz WCLUJMHBWWYDLP-GJZGRUSLSA-N -1 3 399.455 0.360 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000737289053 598968329 /nfs/dbraw/zinc/96/83/29/598968329.db2.gz NYZVNTDWXDVVRO-UONOGXRCSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000737289053 598968333 /nfs/dbraw/zinc/96/83/33/598968333.db2.gz NYZVNTDWXDVVRO-UONOGXRCSA-N -1 3 399.455 0.877 20 0 GCADHM CNC(=O)COc1ccc(OC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736875321 598968686 /nfs/dbraw/zinc/96/86/86/598968686.db2.gz WJIOBFZTRLASCR-UHFFFAOYSA-N -1 3 383.364 0.976 20 0 GCADHM CNC(=O)COc1ccc(OC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736875321 598968687 /nfs/dbraw/zinc/96/86/87/598968687.db2.gz WJIOBFZTRLASCR-UHFFFAOYSA-N -1 3 383.364 0.976 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736706723 598970215 /nfs/dbraw/zinc/97/02/15/598970215.db2.gz VMTZDBANHIHEOE-YPMHNXCESA-N -1 3 382.428 0.919 20 0 GCADHM CC(C)(C)[C@@H](O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735589603 598972902 /nfs/dbraw/zinc/97/29/02/598972902.db2.gz MUPAFZRZLNKDLC-AWEZNQCLSA-N -1 3 388.476 0.937 20 0 GCADHM CC(C)(C)[C@@H](O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735589603 598972904 /nfs/dbraw/zinc/97/29/04/598972904.db2.gz MUPAFZRZLNKDLC-AWEZNQCLSA-N -1 3 388.476 0.937 20 0 GCADHM O=C(COc1cccc(C(=O)NCCO)c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737924523 598979741 /nfs/dbraw/zinc/97/97/41/598979741.db2.gz FMBABRGDEZYJKH-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM O=C(COc1cccc(C(=O)NCCO)c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737924523 598979743 /nfs/dbraw/zinc/97/97/43/598979743.db2.gz FMBABRGDEZYJKH-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000737033719 598983645 /nfs/dbraw/zinc/98/36/45/598983645.db2.gz YJIGRQMDVNOZNR-ZDUSSCGKSA-N -1 3 396.473 0.268 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCO[C@@H](CNC(C)=O)C1 ZINC000737031657 598987393 /nfs/dbraw/zinc/98/73/93/598987393.db2.gz CGLYLOINZZWJBF-AWEZNQCLSA-N -1 3 376.417 0.091 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCO[C@@H](CNC(C)=O)C1 ZINC000737031657 598987395 /nfs/dbraw/zinc/98/73/95/598987395.db2.gz CGLYLOINZZWJBF-AWEZNQCLSA-N -1 3 376.417 0.091 20 0 GCADHM CN1CCN(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1=O ZINC000736863581 598990318 /nfs/dbraw/zinc/99/03/18/598990318.db2.gz MAAVRHRFYOUEGN-UHFFFAOYSA-N -1 3 389.485 0.910 20 0 GCADHM CN1CCN(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1=O ZINC000736863581 598990320 /nfs/dbraw/zinc/99/03/20/598990320.db2.gz MAAVRHRFYOUEGN-UHFFFAOYSA-N -1 3 389.485 0.910 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000735558652 598991876 /nfs/dbraw/zinc/99/18/76/598991876.db2.gz GFUCBJMFZQXDLN-NEPJUHHUSA-N -1 3 378.458 0.560 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000735558652 598991877 /nfs/dbraw/zinc/99/18/77/598991877.db2.gz GFUCBJMFZQXDLN-NEPJUHHUSA-N -1 3 378.458 0.560 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000737032248 598993667 /nfs/dbraw/zinc/99/36/67/598993667.db2.gz GWMSFTMUHSQADR-LBPRGKRZSA-N -1 3 381.458 0.621 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736790997 598993848 /nfs/dbraw/zinc/99/38/48/598993848.db2.gz KSJRPCBBAKSMIG-DOMZBBRYSA-N -1 3 390.469 0.339 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736790997 598993849 /nfs/dbraw/zinc/99/38/49/598993849.db2.gz KSJRPCBBAKSMIG-DOMZBBRYSA-N -1 3 390.469 0.339 20 0 GCADHM Cc1oc(NC(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000737551505 598994004 /nfs/dbraw/zinc/99/40/04/598994004.db2.gz ICKJERVGEJZELA-NSHDSACASA-N -1 3 382.446 0.382 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000737221534 598997292 /nfs/dbraw/zinc/99/72/92/598997292.db2.gz NSOSSYSWLLAJSF-CYBMUJFWSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000737221534 598997294 /nfs/dbraw/zinc/99/72/94/598997294.db2.gz NSOSSYSWLLAJSF-CYBMUJFWSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000737222337 598997557 /nfs/dbraw/zinc/99/75/57/598997557.db2.gz XVSDVZLLVYRAAA-CYBMUJFWSA-N -1 3 397.482 0.515 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000737222337 598997558 /nfs/dbraw/zinc/99/75/58/598997558.db2.gz XVSDVZLLVYRAAA-CYBMUJFWSA-N -1 3 397.482 0.515 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000737221536 598997597 /nfs/dbraw/zinc/99/75/97/598997597.db2.gz NSOSSYSWLLAJSF-ZDUSSCGKSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000737221536 598997598 /nfs/dbraw/zinc/99/75/98/598997598.db2.gz NSOSSYSWLLAJSF-ZDUSSCGKSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000737224645 598997866 /nfs/dbraw/zinc/99/78/66/598997866.db2.gz YVCPZNVBZPRFLS-OAHLLOKOSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000737224645 598997868 /nfs/dbraw/zinc/99/78/68/598997868.db2.gz YVCPZNVBZPRFLS-OAHLLOKOSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000737224718 599000701 /nfs/dbraw/zinc/00/07/01/599000701.db2.gz ZQGDTGGKOJJNLN-CQSZACIVSA-N -1 3 386.437 0.550 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000737224718 599000703 /nfs/dbraw/zinc/00/07/03/599000703.db2.gz ZQGDTGGKOJJNLN-CQSZACIVSA-N -1 3 386.437 0.550 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCc1nnnn1-c1ccccc1 ZINC000737226010 599004413 /nfs/dbraw/zinc/00/44/13/599004413.db2.gz XVXJZULGTADWAH-UHFFFAOYSA-N -1 3 397.424 0.629 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCc1nnnn1-c1ccccc1 ZINC000737226010 599004415 /nfs/dbraw/zinc/00/44/15/599004415.db2.gz XVXJZULGTADWAH-UHFFFAOYSA-N -1 3 397.424 0.629 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCN(C)CC(F)(F)F ZINC000737224431 599005380 /nfs/dbraw/zinc/00/53/80/599005380.db2.gz VHNXFFSDWMWQCH-UHFFFAOYSA-N -1 3 378.380 0.948 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCN(C)CC(F)(F)F ZINC000737224431 599005381 /nfs/dbraw/zinc/00/53/81/599005381.db2.gz VHNXFFSDWMWQCH-UHFFFAOYSA-N -1 3 378.380 0.948 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C[C@H]1C ZINC000736623631 599005912 /nfs/dbraw/zinc/00/59/12/599005912.db2.gz JXKVLSKBJYFBLU-CQSZACIVSA-N -1 3 394.501 0.906 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C[C@H]1C ZINC000736623631 599005914 /nfs/dbraw/zinc/00/59/14/599005914.db2.gz JXKVLSKBJYFBLU-CQSZACIVSA-N -1 3 394.501 0.906 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736912388 599006038 /nfs/dbraw/zinc/00/60/38/599006038.db2.gz RMTWUFFYPFRKEB-LLVKDONJSA-N -1 3 383.455 0.536 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736912388 599006039 /nfs/dbraw/zinc/00/60/39/599006039.db2.gz RMTWUFFYPFRKEB-LLVKDONJSA-N -1 3 383.455 0.536 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736911615 599006043 /nfs/dbraw/zinc/00/60/43/599006043.db2.gz LONGVEBTXMXNOH-CYBMUJFWSA-N -1 3 397.482 0.677 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736911615 599006045 /nfs/dbraw/zinc/00/60/45/599006045.db2.gz LONGVEBTXMXNOH-CYBMUJFWSA-N -1 3 397.482 0.677 20 0 GCADHM COC(=O)C[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736912389 599006399 /nfs/dbraw/zinc/00/63/99/599006399.db2.gz RMTWUFFYPFRKEB-NSHDSACASA-N -1 3 383.455 0.536 20 0 GCADHM COC(=O)C[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736912389 599006401 /nfs/dbraw/zinc/00/64/01/599006401.db2.gz RMTWUFFYPFRKEB-NSHDSACASA-N -1 3 383.455 0.536 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736912339 599006481 /nfs/dbraw/zinc/00/64/81/599006481.db2.gz QIMBRPHDSUXSCK-GFCCVEGCSA-N -1 3 397.482 0.844 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736912339 599006483 /nfs/dbraw/zinc/00/64/83/599006483.db2.gz QIMBRPHDSUXSCK-GFCCVEGCSA-N -1 3 397.482 0.844 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C[C@@H]1C ZINC000737003337 599006765 /nfs/dbraw/zinc/00/67/65/599006765.db2.gz GKKYCTMLCNVTNV-ZDUSSCGKSA-N -1 3 380.474 0.516 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C[C@@H]1C ZINC000737003337 599006767 /nfs/dbraw/zinc/00/67/67/599006767.db2.gz GKKYCTMLCNVTNV-ZDUSSCGKSA-N -1 3 380.474 0.516 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736913077 599006808 /nfs/dbraw/zinc/00/68/08/599006808.db2.gz XRHQRQVLWDVZMQ-GFCCVEGCSA-N -1 3 397.482 0.844 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736913077 599006810 /nfs/dbraw/zinc/00/68/10/599006810.db2.gz XRHQRQVLWDVZMQ-GFCCVEGCSA-N -1 3 397.482 0.844 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1ccc(OCC(N)=O)cc1 ZINC000737225265 599007650 /nfs/dbraw/zinc/00/76/50/599007650.db2.gz ASUWHSYPRSFGLM-UHFFFAOYSA-N -1 3 389.393 0.807 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1ccc(OCC(N)=O)cc1 ZINC000737225265 599007651 /nfs/dbraw/zinc/00/76/51/599007651.db2.gz ASUWHSYPRSFGLM-UHFFFAOYSA-N -1 3 389.393 0.807 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCSCc1nc(N)nc(N)n1 ZINC000737033379 599009672 /nfs/dbraw/zinc/00/96/72/599009672.db2.gz WFOASGVYYQWQLB-UHFFFAOYSA-N -1 3 375.418 0.537 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCSCc1nc(N)nc(N)n1 ZINC000737033379 599009674 /nfs/dbraw/zinc/00/96/74/599009674.db2.gz WFOASGVYYQWQLB-UHFFFAOYSA-N -1 3 375.418 0.537 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737161865 599010312 /nfs/dbraw/zinc/01/03/12/599010312.db2.gz MZSGLYVPWCJIIZ-MCIONIFRSA-N -1 3 378.458 0.339 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737741625 599013139 /nfs/dbraw/zinc/01/31/39/599013139.db2.gz PHBNZRCQEWWENR-QMMMGPOBSA-N -1 3 385.335 0.734 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737741625 599013141 /nfs/dbraw/zinc/01/31/41/599013141.db2.gz PHBNZRCQEWWENR-QMMMGPOBSA-N -1 3 385.335 0.734 20 0 GCADHM NC(=O)[C@H](Sc1nnnn1C[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737641 599013239 /nfs/dbraw/zinc/01/32/39/599013239.db2.gz BPHSJBNRHPWVQX-VXGBXAGGSA-N -1 3 387.429 0.351 20 0 GCADHM NC(=O)[C@H](Sc1nnnn1C[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737641 599013241 /nfs/dbraw/zinc/01/32/41/599013241.db2.gz BPHSJBNRHPWVQX-VXGBXAGGSA-N -1 3 387.429 0.351 20 0 GCADHM NC(=O)[C@H](Sc1nnnn1C1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738090 599013486 /nfs/dbraw/zinc/01/34/86/599013486.db2.gz CXYSPPDIGOYZOM-GFCCVEGCSA-N -1 3 387.429 0.523 20 0 GCADHM NC(=O)[C@H](Sc1nnnn1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738090 599013488 /nfs/dbraw/zinc/01/34/88/599013488.db2.gz CXYSPPDIGOYZOM-GFCCVEGCSA-N -1 3 387.429 0.523 20 0 GCADHM CC(C)CCn1cc(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000735817556 599016872 /nfs/dbraw/zinc/01/68/72/599016872.db2.gz CBBWGOZWGVWYEB-UHFFFAOYSA-N -1 3 398.427 0.978 20 0 GCADHM CC(C)CCn1cc(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000735817556 599016874 /nfs/dbraw/zinc/01/68/74/599016874.db2.gz CBBWGOZWGVWYEB-UHFFFAOYSA-N -1 3 398.427 0.978 20 0 GCADHM O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738075243 599022610 /nfs/dbraw/zinc/02/26/10/599022610.db2.gz LWTHMXIBHJRVAH-UHFFFAOYSA-N -1 3 378.440 0.814 20 0 GCADHM O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738075243 599022612 /nfs/dbraw/zinc/02/26/12/599022612.db2.gz LWTHMXIBHJRVAH-UHFFFAOYSA-N -1 3 378.440 0.814 20 0 GCADHM CCOC(=O)C1(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)CCC1 ZINC000736590998 599023766 /nfs/dbraw/zinc/02/37/66/599023766.db2.gz OKVYFMALUUPTDM-UHFFFAOYSA-N -1 3 388.432 0.706 20 0 GCADHM CCOC(=O)C1(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)CCC1 ZINC000736590998 599023767 /nfs/dbraw/zinc/02/37/67/599023767.db2.gz OKVYFMALUUPTDM-UHFFFAOYSA-N -1 3 388.432 0.706 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCS(=O)(=O)c1cccc[n+]1[O-] ZINC000737032812 599024121 /nfs/dbraw/zinc/02/41/21/599024121.db2.gz PCCGXSQKHDHASO-UHFFFAOYSA-N -1 3 377.382 0.361 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCS(=O)(=O)c1cccc[n+]1[O-] ZINC000737032812 599024124 /nfs/dbraw/zinc/02/41/24/599024124.db2.gz PCCGXSQKHDHASO-UHFFFAOYSA-N -1 3 377.382 0.361 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736883072 599025407 /nfs/dbraw/zinc/02/54/07/599025407.db2.gz RQKOYMBCINURES-UHFFFAOYSA-N -1 3 393.407 0.524 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736883072 599025409 /nfs/dbraw/zinc/02/54/09/599025409.db2.gz RQKOYMBCINURES-UHFFFAOYSA-N -1 3 393.407 0.524 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737161828 599025620 /nfs/dbraw/zinc/02/56/20/599025620.db2.gz MFBASAXWEHISBL-QWHCGFSZSA-N -1 3 392.441 0.277 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737161828 599025621 /nfs/dbraw/zinc/02/56/21/599025621.db2.gz MFBASAXWEHISBL-QWHCGFSZSA-N -1 3 392.441 0.277 20 0 GCADHM COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000468260366 599029029 /nfs/dbraw/zinc/02/90/29/599029029.db2.gz PCDZWNAMKRNQCH-UHFFFAOYSA-N -1 3 391.413 0.372 20 0 GCADHM COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000468260366 599029031 /nfs/dbraw/zinc/02/90/31/599029031.db2.gz PCDZWNAMKRNQCH-UHFFFAOYSA-N -1 3 391.413 0.372 20 0 GCADHM C[S@](=O)CCN1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737172782 599029461 /nfs/dbraw/zinc/02/94/61/599029461.db2.gz JYLVYTYNQHTNDU-SANMLTNESA-N -1 3 376.486 0.322 20 0 GCADHM C[S@](=O)CCN1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737172782 599029462 /nfs/dbraw/zinc/02/94/62/599029462.db2.gz JYLVYTYNQHTNDU-SANMLTNESA-N -1 3 376.486 0.322 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC000737162485 599029807 /nfs/dbraw/zinc/02/98/07/599029807.db2.gz KZLHWUPQMSSXFT-UHFFFAOYSA-N -1 3 391.413 0.125 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC000737162485 599029808 /nfs/dbraw/zinc/02/98/08/599029808.db2.gz KZLHWUPQMSSXFT-UHFFFAOYSA-N -1 3 391.413 0.125 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nnn[n-]4)cn3)cn2)C[C@H](C)O1 ZINC000820734059 599036475 /nfs/dbraw/zinc/03/64/75/599036475.db2.gz KVIGIWOWPWYFLO-RYUDHWBXSA-N -1 3 383.416 0.838 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nn[n-]n4)cn3)cn2)C[C@H](C)O1 ZINC000820734059 599036477 /nfs/dbraw/zinc/03/64/77/599036477.db2.gz KVIGIWOWPWYFLO-RYUDHWBXSA-N -1 3 383.416 0.838 20 0 GCADHM Cc1nn(C)cc1NC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737512915 599037212 /nfs/dbraw/zinc/03/72/12/599037212.db2.gz BSXDXXSYLJXWHE-UHFFFAOYSA-N -1 3 375.414 0.462 20 0 GCADHM Cc1nn(C)cc1NC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737512915 599037215 /nfs/dbraw/zinc/03/72/15/599037215.db2.gz BSXDXXSYLJXWHE-UHFFFAOYSA-N -1 3 375.414 0.462 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737161625 599039444 /nfs/dbraw/zinc/03/94/44/599039444.db2.gz AWAWVOOFAFWZSU-UHFFFAOYSA-N -1 3 375.414 0.289 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737161625 599039446 /nfs/dbraw/zinc/03/94/46/599039446.db2.gz AWAWVOOFAFWZSU-UHFFFAOYSA-N -1 3 375.414 0.289 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)CCO1 ZINC000736594507 599041621 /nfs/dbraw/zinc/04/16/21/599041621.db2.gz RKUHXGDDWYSMTI-CQSZACIVSA-N -1 3 391.384 0.045 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)CCO1 ZINC000736594507 599041624 /nfs/dbraw/zinc/04/16/24/599041624.db2.gz RKUHXGDDWYSMTI-CQSZACIVSA-N -1 3 391.384 0.045 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736594291 599041266 /nfs/dbraw/zinc/04/12/66/599041266.db2.gz QEYKLGQPVDUWMT-CQSZACIVSA-N -1 3 391.453 0.890 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736594291 599041269 /nfs/dbraw/zinc/04/12/69/599041269.db2.gz QEYKLGQPVDUWMT-CQSZACIVSA-N -1 3 391.453 0.890 20 0 GCADHM O=S(=O)(CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)NC1CC1 ZINC000738332430 599045082 /nfs/dbraw/zinc/04/50/82/599045082.db2.gz XTOOUJGTOOADFI-UHFFFAOYSA-N -1 3 377.352 0.774 20 0 GCADHM O=S(=O)(CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)NC1CC1 ZINC000738332430 599045085 /nfs/dbraw/zinc/04/50/85/599045085.db2.gz XTOOUJGTOOADFI-UHFFFAOYSA-N -1 3 377.352 0.774 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737611339 599047370 /nfs/dbraw/zinc/04/73/70/599047370.db2.gz VMLAAXHXNIOZNS-UHFFFAOYSA-N -1 3 389.445 0.260 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737611339 599047373 /nfs/dbraw/zinc/04/73/73/599047373.db2.gz VMLAAXHXNIOZNS-UHFFFAOYSA-N -1 3 389.445 0.260 20 0 GCADHM O=S1(=O)CCCN1CCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000738356382 599050527 /nfs/dbraw/zinc/05/05/27/599050527.db2.gz ASCYWZWRPOZAQC-UHFFFAOYSA-N -1 3 377.352 0.728 20 0 GCADHM O=S1(=O)CCCN1CCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000738356382 599050530 /nfs/dbraw/zinc/05/05/30/599050530.db2.gz ASCYWZWRPOZAQC-UHFFFAOYSA-N -1 3 377.352 0.728 20 0 GCADHM CCS(=O)(=O)N1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736658355 599052024 /nfs/dbraw/zinc/05/20/24/599052024.db2.gz CCHOGKUUEAYWAZ-UHFFFAOYSA-N -1 3 391.379 0.752 20 0 GCADHM CCS(=O)(=O)N1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736658355 599052026 /nfs/dbraw/zinc/05/20/26/599052026.db2.gz CCHOGKUUEAYWAZ-UHFFFAOYSA-N -1 3 391.379 0.752 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)[C@H]2CCO[C@@H]21 ZINC000736208582 599054040 /nfs/dbraw/zinc/05/40/40/599054040.db2.gz YVPFPTAUKNLKJQ-YUELXQCFSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)[C@H]2CCO[C@@H]21 ZINC000736208582 599054043 /nfs/dbraw/zinc/05/40/43/599054043.db2.gz YVPFPTAUKNLKJQ-YUELXQCFSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)[C@H]2CCO[C@H]21 ZINC000736207350 599054064 /nfs/dbraw/zinc/05/40/64/599054064.db2.gz RIHWUECJMWCEHS-FVQBIDKESA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[C@H]2CCO[C@H]21 ZINC000736207350 599054067 /nfs/dbraw/zinc/05/40/67/599054067.db2.gz RIHWUECJMWCEHS-FVQBIDKESA-N -1 3 398.471 0.907 20 0 GCADHM Cn1cc(C(=O)COC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cn1 ZINC000737601939 599056905 /nfs/dbraw/zinc/05/69/05/599056905.db2.gz FTGDWJZERJJNEA-UHFFFAOYSA-N -1 3 393.367 0.408 20 0 GCADHM Cn1cc(C(=O)COC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cn1 ZINC000737601939 599056907 /nfs/dbraw/zinc/05/69/07/599056907.db2.gz FTGDWJZERJJNEA-UHFFFAOYSA-N -1 3 393.367 0.408 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCCNc1ncccc1-c1nnn[n-]1)C(C)C ZINC000736966170 599061340 /nfs/dbraw/zinc/06/13/40/599061340.db2.gz LZZVLQJKAGJQIN-ZDUSSCGKSA-N -1 3 377.405 0.004 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCCNc1ncccc1-c1nn[n-]n1)C(C)C ZINC000736966170 599061344 /nfs/dbraw/zinc/06/13/44/599061344.db2.gz LZZVLQJKAGJQIN-ZDUSSCGKSA-N -1 3 377.405 0.004 20 0 GCADHM O=C(N[C@H](CCO)C1CC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738031215 599061663 /nfs/dbraw/zinc/06/16/63/599061663.db2.gz AKFRTJAQWIPWII-OAHLLOKOSA-N -1 3 386.460 0.691 20 0 GCADHM O=C(N[C@H](CCO)C1CC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738031215 599061666 /nfs/dbraw/zinc/06/16/66/599061666.db2.gz AKFRTJAQWIPWII-OAHLLOKOSA-N -1 3 386.460 0.691 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccccc2O)CC1 ZINC000737739894 599066106 /nfs/dbraw/zinc/06/61/06/599066106.db2.gz RQUKMPDPRKTPPE-KRWDZBQOSA-N -1 3 379.424 0.921 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccccc2O)CC1 ZINC000737739894 599066109 /nfs/dbraw/zinc/06/61/09/599066109.db2.gz RQUKMPDPRKTPPE-KRWDZBQOSA-N -1 3 379.424 0.921 20 0 GCADHM Cc1cc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000737262343 599067777 /nfs/dbraw/zinc/06/77/77/599067777.db2.gz LUTDVSXPPAEFOK-MRXNPFEDSA-N -1 3 382.428 0.507 20 0 GCADHM Cc1cc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737262343 599067780 /nfs/dbraw/zinc/06/77/80/599067780.db2.gz LUTDVSXPPAEFOK-MRXNPFEDSA-N -1 3 382.428 0.507 20 0 GCADHM Cc1nc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000737478612 599068327 /nfs/dbraw/zinc/06/83/27/599068327.db2.gz UOJXGBIVQVXFNR-INIZCTEOSA-N -1 3 398.496 0.976 20 0 GCADHM Cc1nc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000737478612 599068330 /nfs/dbraw/zinc/06/83/30/599068330.db2.gz UOJXGBIVQVXFNR-INIZCTEOSA-N -1 3 398.496 0.976 20 0 GCADHM CC(C)COC(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735839275 599070358 /nfs/dbraw/zinc/07/03/58/599070358.db2.gz OCTFXPMMZNXQLN-HNNXBMFYSA-N -1 3 387.444 0.803 20 0 GCADHM CC(C)COC(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735839275 599070361 /nfs/dbraw/zinc/07/03/61/599070361.db2.gz OCTFXPMMZNXQLN-HNNXBMFYSA-N -1 3 387.444 0.803 20 0 GCADHM CC(C)C(=O)NC[C@@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735685185 599071985 /nfs/dbraw/zinc/07/19/85/599071985.db2.gz RCDWPPSKYPLUPB-BBRMVZONSA-N -1 3 385.472 0.877 20 0 GCADHM CCn1ccnc1CN1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736722316 599074398 /nfs/dbraw/zinc/07/43/98/599074398.db2.gz KOHSMCXQHWWHHP-KRWDZBQOSA-N -1 3 395.471 0.427 20 0 GCADHM CCn1ccnc1CN1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736722316 599074401 /nfs/dbraw/zinc/07/44/01/599074401.db2.gz KOHSMCXQHWWHHP-KRWDZBQOSA-N -1 3 395.471 0.427 20 0 GCADHM CN(c1cccnn1)C1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736844801 599075156 /nfs/dbraw/zinc/07/51/56/599075156.db2.gz XZZOTQVGVAMHNG-KRWDZBQOSA-N -1 3 393.455 0.784 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCCN(c2cccnn2)CC1 ZINC000737738825 599075543 /nfs/dbraw/zinc/07/55/43/599075543.db2.gz MOBRZSDDRNOAHH-MRXNPFEDSA-N -1 3 379.428 0.395 20 0 GCADHM Cc1cnn(C[C@H]2CN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737443292 599075577 /nfs/dbraw/zinc/07/55/77/599075577.db2.gz IMYNFIFPPAQKBA-HZPDHXFCSA-N -1 3 382.428 0.299 20 0 GCADHM Cc1cnn(C[C@H]2CN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737443292 599075579 /nfs/dbraw/zinc/07/55/79/599075579.db2.gz IMYNFIFPPAQKBA-HZPDHXFCSA-N -1 3 382.428 0.299 20 0 GCADHM Cc1cnn(C[C@@H]2CN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737443294 599075682 /nfs/dbraw/zinc/07/56/82/599075682.db2.gz IMYNFIFPPAQKBA-JKSUJKDBSA-N -1 3 382.428 0.299 20 0 GCADHM Cc1cnn(C[C@@H]2CN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737443294 599075685 /nfs/dbraw/zinc/07/56/85/599075685.db2.gz IMYNFIFPPAQKBA-JKSUJKDBSA-N -1 3 382.428 0.299 20 0 GCADHM Cc1nc(C)n([C@@H]2CCCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737473119 599076095 /nfs/dbraw/zinc/07/60/95/599076095.db2.gz FBJONSKECKURHJ-CVEARBPZSA-N -1 3 381.444 0.939 20 0 GCADHM CN(C[C@H](O)COCc1ccccc1)[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736789049 599077749 /nfs/dbraw/zinc/07/77/49/599077749.db2.gz SPUPXMVWFQWYKC-ROUUACIJSA-N -1 3 396.451 0.903 20 0 GCADHM CN(C[C@H](O)COCc1ccccc1)[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736789049 599077750 /nfs/dbraw/zinc/07/77/50/599077750.db2.gz SPUPXMVWFQWYKC-ROUUACIJSA-N -1 3 396.451 0.903 20 0 GCADHM CN(CC(=O)NCc1cccs1)[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736783048 599078106 /nfs/dbraw/zinc/07/81/06/599078106.db2.gz HQMSRDMJSQDGHT-OAHLLOKOSA-N -1 3 385.453 0.703 20 0 GCADHM CN(CC(=O)NCc1cccs1)[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736783048 599078108 /nfs/dbraw/zinc/07/81/08/599078108.db2.gz HQMSRDMJSQDGHT-OAHLLOKOSA-N -1 3 385.453 0.703 20 0 GCADHM O=C(CN1CCC[C@H](OCCO)C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737876395 599079161 /nfs/dbraw/zinc/07/91/61/599079161.db2.gz QBMHHDPUDVPLBE-LBPRGKRZSA-N -1 3 380.836 0.932 20 0 GCADHM O=C(CN1CCC[C@H](OCCO)C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737876395 599079164 /nfs/dbraw/zinc/07/91/64/599079164.db2.gz QBMHHDPUDVPLBE-LBPRGKRZSA-N -1 3 380.836 0.932 20 0 GCADHM NC(=O)C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC000737741360 599086109 /nfs/dbraw/zinc/08/61/09/599086109.db2.gz WSPMFBAQYFZWEJ-UHFFFAOYSA-N -1 3 384.849 0.844 20 0 GCADHM NC(=O)C1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC000737741360 599086112 /nfs/dbraw/zinc/08/61/12/599086112.db2.gz WSPMFBAQYFZWEJ-UHFFFAOYSA-N -1 3 384.849 0.844 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609057 599088080 /nfs/dbraw/zinc/08/80/80/599088080.db2.gz AFVBQEFTQSSZPO-HLRDLLSLSA-N -1 3 392.423 0.925 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609057 599088082 /nfs/dbraw/zinc/08/80/82/599088082.db2.gz AFVBQEFTQSSZPO-HLRDLLSLSA-N -1 3 392.423 0.925 20 0 GCADHM CCNC(=O)c1cccc(CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736578459 599091015 /nfs/dbraw/zinc/09/10/15/599091015.db2.gz VXMGLQMXZUXZCL-INIZCTEOSA-N -1 3 379.424 0.933 20 0 GCADHM CCNC(=O)c1cccc(CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736578459 599091018 /nfs/dbraw/zinc/09/10/18/599091018.db2.gz VXMGLQMXZUXZCL-INIZCTEOSA-N -1 3 379.424 0.933 20 0 GCADHM NC(=O)[C@H](NCC(=O)N1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737731558 599094613 /nfs/dbraw/zinc/09/46/13/599094613.db2.gz TTZYCBVRYWZTQI-GOSISDBHSA-N -1 3 391.435 0.962 20 0 GCADHM NC(=O)[C@H](NCC(=O)N1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737731558 599094616 /nfs/dbraw/zinc/09/46/16/599094616.db2.gz TTZYCBVRYWZTQI-GOSISDBHSA-N -1 3 391.435 0.962 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)COc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000737610273 599094640 /nfs/dbraw/zinc/09/46/40/599094640.db2.gz MCMACOFFOOZMJS-CQSZACIVSA-N -1 3 382.428 0.764 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)COc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000737610273 599094643 /nfs/dbraw/zinc/09/46/43/599094643.db2.gz MCMACOFFOOZMJS-CQSZACIVSA-N -1 3 382.428 0.764 20 0 GCADHM NC(=O)[C@@H](NCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737492 599095339 /nfs/dbraw/zinc/09/53/39/599095339.db2.gz RTSPLNFBPOQLRP-HNNXBMFYSA-N -1 3 391.391 0.279 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735628492 599099023 /nfs/dbraw/zinc/09/90/23/599099023.db2.gz VHBFNDSNPKVMJR-KGLIPLIRSA-N -1 3 387.444 0.992 20 0 GCADHM NC(=O)[C@@H](NCCn1c2ccccc2oc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735965 599099031 /nfs/dbraw/zinc/09/90/31/599099031.db2.gz FQMODORPIWQWFB-HNNXBMFYSA-N -1 3 379.380 0.591 20 0 GCADHM NC(=O)[C@H](NCc1nnnn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737734794 599099191 /nfs/dbraw/zinc/09/91/91/599099191.db2.gz BJEXVSGMJAICCB-OAHLLOKOSA-N -1 3 376.384 0.159 20 0 GCADHM NC(=O)[C@H](NCc1nnnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737734794 599099194 /nfs/dbraw/zinc/09/91/94/599099194.db2.gz BJEXVSGMJAICCB-OAHLLOKOSA-N -1 3 376.384 0.159 20 0 GCADHM CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736483301 599099515 /nfs/dbraw/zinc/09/95/15/599099515.db2.gz ISMVBBAJCOWGJI-UHFFFAOYSA-N -1 3 379.446 0.293 20 0 GCADHM CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736483301 599099518 /nfs/dbraw/zinc/09/95/18/599099518.db2.gz ISMVBBAJCOWGJI-UHFFFAOYSA-N -1 3 379.446 0.293 20 0 GCADHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736878310 599102292 /nfs/dbraw/zinc/10/22/92/599102292.db2.gz CYYKRTNBJVAMTC-INIZCTEOSA-N -1 3 390.407 0.830 20 0 GCADHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736878310 599102294 /nfs/dbraw/zinc/10/22/94/599102294.db2.gz CYYKRTNBJVAMTC-INIZCTEOSA-N -1 3 390.407 0.830 20 0 GCADHM CCn1nc2c(cc1=O)CN(CC(=O)Nc1sccc1-c1nnn[n-]1)CC2 ZINC000821567993 599102408 /nfs/dbraw/zinc/10/24/08/599102408.db2.gz CQVPEWBCRXVFEB-UHFFFAOYSA-N -1 3 386.441 0.502 20 0 GCADHM CCn1nc2c(cc1=O)CN(CC(=O)Nc1sccc1-c1nn[n-]n1)CC2 ZINC000821567993 599102411 /nfs/dbraw/zinc/10/24/11/599102411.db2.gz CQVPEWBCRXVFEB-UHFFFAOYSA-N -1 3 386.441 0.502 20 0 GCADHM CCn1nc2c(cc1=O)CN(CC(=O)NCc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821568410 599102603 /nfs/dbraw/zinc/10/26/03/599102603.db2.gz STGBGZNCHBNHKV-UHFFFAOYSA-N -1 3 394.439 0.118 20 0 GCADHM CCn1nc2c(cc1=O)CN(CC(=O)NCc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821568410 599102605 /nfs/dbraw/zinc/10/26/05/599102605.db2.gz STGBGZNCHBNHKV-UHFFFAOYSA-N -1 3 394.439 0.118 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821567966 599102909 /nfs/dbraw/zinc/10/29/09/599102909.db2.gz BJUYXVDTYVCDIJ-QGZVFWFLSA-N -1 3 395.423 0.716 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821567966 599102911 /nfs/dbraw/zinc/10/29/11/599102911.db2.gz BJUYXVDTYVCDIJ-QGZVFWFLSA-N -1 3 395.423 0.716 20 0 GCADHM Cn1nc2c(cc1=O)CN(Cc1nnc(-c3cccc(-c4nnn[n-]4)c3)o1)CC2 ZINC000822709364 599103665 /nfs/dbraw/zinc/10/36/65/599103665.db2.gz JYVADDVDAUQLQM-UHFFFAOYSA-N -1 3 391.395 0.569 20 0 GCADHM Cn1nc2c(cc1=O)CN(Cc1nnc(-c3cccc(-c4nn[n-]n4)c3)o1)CC2 ZINC000822709364 599103667 /nfs/dbraw/zinc/10/36/67/599103667.db2.gz JYVADDVDAUQLQM-UHFFFAOYSA-N -1 3 391.395 0.569 20 0 GCADHM Cc1csc(=O)n1CCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737457012 599113477 /nfs/dbraw/zinc/11/34/77/599113477.db2.gz NAHTTXVGWYEGIH-ZDUSSCGKSA-N -1 3 388.409 0.558 20 0 GCADHM Cc1csc(=O)n1CCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737457012 599113478 /nfs/dbraw/zinc/11/34/78/599113478.db2.gz NAHTTXVGWYEGIH-ZDUSSCGKSA-N -1 3 388.409 0.558 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737508714 599116480 /nfs/dbraw/zinc/11/64/80/599116480.db2.gz HLKQAMIBIXLVCV-CQSZACIVSA-N -1 3 383.368 0.170 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737508714 599116483 /nfs/dbraw/zinc/11/64/83/599116483.db2.gz HLKQAMIBIXLVCV-CQSZACIVSA-N -1 3 383.368 0.170 20 0 GCADHM C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736222900 599117114 /nfs/dbraw/zinc/11/71/14/599117114.db2.gz HGEKRAPXSKHIGM-QMMMGPOBSA-N -1 3 377.792 0.196 20 0 GCADHM C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736222900 599117117 /nfs/dbraw/zinc/11/71/17/599117117.db2.gz HGEKRAPXSKHIGM-QMMMGPOBSA-N -1 3 377.792 0.196 20 0 GCADHM CC(C)(C)OC(=O)NCCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735636334 599117548 /nfs/dbraw/zinc/11/75/48/599117548.db2.gz UVMNMQSNHYQQNU-CYBMUJFWSA-N -1 3 390.400 0.851 20 0 GCADHM CC(C)(C)OC(=O)NCCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735636334 599117549 /nfs/dbraw/zinc/11/75/49/599117549.db2.gz UVMNMQSNHYQQNU-CYBMUJFWSA-N -1 3 390.400 0.851 20 0 GCADHM COC(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736949339 599117898 /nfs/dbraw/zinc/11/78/98/599117898.db2.gz BANPEBDNZSIBOU-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736949339 599117901 /nfs/dbraw/zinc/11/79/01/599117901.db2.gz BANPEBDNZSIBOU-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM Cc1nn(C)c2ncc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000737511282 599118630 /nfs/dbraw/zinc/11/86/30/599118630.db2.gz MGPSZVLKUPJLIX-CQSZACIVSA-N -1 3 392.379 0.840 20 0 GCADHM Cc1nn(C)c2ncc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000737511282 599118632 /nfs/dbraw/zinc/11/86/32/599118632.db2.gz MGPSZVLKUPJLIX-CQSZACIVSA-N -1 3 392.379 0.840 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@@H]1COc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737158 599118833 /nfs/dbraw/zinc/11/88/33/599118833.db2.gz ORSDIKYTYHAMDT-LSDHHAIUSA-N -1 3 381.348 0.776 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@@H]1COc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737158 599118835 /nfs/dbraw/zinc/11/88/35/599118835.db2.gz ORSDIKYTYHAMDT-LSDHHAIUSA-N -1 3 381.348 0.776 20 0 GCADHM CC(C)CS(=O)(=O)CCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735850608 599119452 /nfs/dbraw/zinc/11/94/52/599119452.db2.gz UBZKSLHQRSXIPL-AWEZNQCLSA-N -1 3 395.441 0.397 20 0 GCADHM CC(C)CS(=O)(=O)CCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735850608 599119454 /nfs/dbraw/zinc/11/94/54/599119454.db2.gz UBZKSLHQRSXIPL-AWEZNQCLSA-N -1 3 395.441 0.397 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cnc2sccn2c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738117 599119945 /nfs/dbraw/zinc/11/99/45/599119945.db2.gz DOPKNVHXOFZBHX-NSHDSACASA-N -1 3 397.376 0.320 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cnc2sccn2c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738117 599119948 /nfs/dbraw/zinc/11/99/48/599119948.db2.gz DOPKNVHXOFZBHX-NSHDSACASA-N -1 3 397.376 0.320 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736103601 599120474 /nfs/dbraw/zinc/12/04/74/599120474.db2.gz XISLQGNWDPOMHL-HZMBPMFUSA-N -1 3 386.412 0.631 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736103601 599120477 /nfs/dbraw/zinc/12/04/77/599120477.db2.gz XISLQGNWDPOMHL-HZMBPMFUSA-N -1 3 386.412 0.631 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736103607 599120491 /nfs/dbraw/zinc/12/04/91/599120491.db2.gz XISLQGNWDPOMHL-QMTHXVAHSA-N -1 3 386.412 0.631 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736103607 599120492 /nfs/dbraw/zinc/12/04/92/599120492.db2.gz XISLQGNWDPOMHL-QMTHXVAHSA-N -1 3 386.412 0.631 20 0 GCADHM C[C@H](Sc1ncccn1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193882 599122488 /nfs/dbraw/zinc/12/24/88/599122488.db2.gz VIMHJIWUHIKKCQ-CABZTGNLSA-N -1 3 385.409 0.907 20 0 GCADHM C[C@H](Sc1ncccn1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193882 599122491 /nfs/dbraw/zinc/12/24/91/599122491.db2.gz VIMHJIWUHIKKCQ-CABZTGNLSA-N -1 3 385.409 0.907 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735636467 599124185 /nfs/dbraw/zinc/12/41/85/599124185.db2.gz VXCIILYMZFOPGH-LBPRGKRZSA-N -1 3 376.373 0.461 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735636467 599124186 /nfs/dbraw/zinc/12/41/86/599124186.db2.gz VXCIILYMZFOPGH-LBPRGKRZSA-N -1 3 376.373 0.461 20 0 GCADHM Cc1c(NCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cccc1C(=O)NCCO ZINC000737219453 599124384 /nfs/dbraw/zinc/12/43/84/599124384.db2.gz RGTKDYNARWGKBD-UHFFFAOYSA-N -1 3 395.423 0.948 20 0 GCADHM Cc1c(NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cccc1C(=O)NCCO ZINC000737219453 599124385 /nfs/dbraw/zinc/12/43/85/599124385.db2.gz RGTKDYNARWGKBD-UHFFFAOYSA-N -1 3 395.423 0.948 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(N2CCCC2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738115 599125308 /nfs/dbraw/zinc/12/53/08/599125308.db2.gz DNQQRWBMJWIQBX-OAHLLOKOSA-N -1 3 394.395 0.640 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(N2CCCC2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738115 599125311 /nfs/dbraw/zinc/12/53/11/599125311.db2.gz DNQQRWBMJWIQBX-OAHLLOKOSA-N -1 3 394.395 0.640 20 0 GCADHM Cc1nnc2ccc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cn12 ZINC000737531772 599125317 /nfs/dbraw/zinc/12/53/17/599125317.db2.gz DOUMXGPHJFUWTB-AWEZNQCLSA-N -1 3 378.352 0.601 20 0 GCADHM Cc1nnc2ccc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cn12 ZINC000737531772 599125319 /nfs/dbraw/zinc/12/53/19/599125319.db2.gz DOUMXGPHJFUWTB-AWEZNQCLSA-N -1 3 378.352 0.601 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736452658 599126359 /nfs/dbraw/zinc/12/63/59/599126359.db2.gz ZSDYKRMLMQYQIA-AWEZNQCLSA-N -1 3 395.441 0.541 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736452658 599126361 /nfs/dbraw/zinc/12/63/61/599126361.db2.gz ZSDYKRMLMQYQIA-AWEZNQCLSA-N -1 3 395.441 0.541 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736452661 599126886 /nfs/dbraw/zinc/12/68/86/599126886.db2.gz ZSDYKRMLMQYQIA-CQSZACIVSA-N -1 3 395.441 0.541 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736452661 599126887 /nfs/dbraw/zinc/12/68/87/599126887.db2.gz ZSDYKRMLMQYQIA-CQSZACIVSA-N -1 3 395.441 0.541 20 0 GCADHM NC(=O)NC(=O)COC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737758086 599130882 /nfs/dbraw/zinc/13/08/82/599130882.db2.gz DROUGFIZFWXHTC-UHFFFAOYSA-N -1 3 396.363 0.797 20 0 GCADHM COC(=O)N(C)CCCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736932720 599127133 /nfs/dbraw/zinc/12/71/33/599127133.db2.gz RPRJSCJTORLGAR-CYBMUJFWSA-N -1 3 376.373 0.415 20 0 GCADHM COC(=O)N(C)CCCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736932720 599127134 /nfs/dbraw/zinc/12/71/34/599127134.db2.gz RPRJSCJTORLGAR-CYBMUJFWSA-N -1 3 376.373 0.415 20 0 GCADHM CCOC(=O)C[C@@H](C)S(=O)(=O)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736592306 599147520 /nfs/dbraw/zinc/14/75/20/599147520.db2.gz BZYBKXYRSBOXGY-SNVBAGLBSA-N -1 3 381.414 0.562 20 0 GCADHM CCOC(=O)C[C@@H](C)S(=O)(=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736595752 599148121 /nfs/dbraw/zinc/14/81/21/599148121.db2.gz XIXWOGOAXGIBCK-SNVBAGLBSA-N -1 3 381.414 0.562 20 0 GCADHM CCOC(=O)C[C@@H](C)S(=O)(=O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736595752 599148122 /nfs/dbraw/zinc/14/81/22/599148122.db2.gz XIXWOGOAXGIBCK-SNVBAGLBSA-N -1 3 381.414 0.562 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCCC1 ZINC000737738635 599150500 /nfs/dbraw/zinc/15/05/00/599150500.db2.gz KPJJUOXHTGRULL-UHFFFAOYSA-N -1 3 375.364 0.106 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCCC1 ZINC000737738635 599150501 /nfs/dbraw/zinc/15/05/01/599150501.db2.gz KPJJUOXHTGRULL-UHFFFAOYSA-N -1 3 375.364 0.106 20 0 GCADHM NC(=O)CNC(=O)c1ccc(OC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737751966 599157295 /nfs/dbraw/zinc/15/72/95/599157295.db2.gz BZNKBPZAWNWJFI-UHFFFAOYSA-N -1 3 396.363 0.066 20 0 GCADHM NC(=O)CNC(=O)c1ccc(OC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737751966 599157296 /nfs/dbraw/zinc/15/72/96/599157296.db2.gz BZNKBPZAWNWJFI-UHFFFAOYSA-N -1 3 396.363 0.066 20 0 GCADHM CC(C)CN1C(=O)C(=O)N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1=O ZINC000735830772 599159201 /nfs/dbraw/zinc/15/92/01/599159201.db2.gz ISVJYLIPUWOXRP-UHFFFAOYSA-N -1 3 396.367 0.864 20 0 GCADHM CC(C)CN1C(=O)C(=O)N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1=O ZINC000735830772 599159202 /nfs/dbraw/zinc/15/92/02/599159202.db2.gz ISVJYLIPUWOXRP-UHFFFAOYSA-N -1 3 396.367 0.864 20 0 GCADHM CCc1cc(NC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000736675899 599162743 /nfs/dbraw/zinc/16/27/43/599162743.db2.gz MTZUXOPOFQDBDW-UHFFFAOYSA-N -1 3 389.441 0.716 20 0 GCADHM CCc1cc(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000736675899 599162746 /nfs/dbraw/zinc/16/27/46/599162746.db2.gz MTZUXOPOFQDBDW-UHFFFAOYSA-N -1 3 389.441 0.716 20 0 GCADHM COC(=O)c1ccc(=O)n(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)n1 ZINC000736952514 599166919 /nfs/dbraw/zinc/16/69/19/599166919.db2.gz YIDMPEWMPKYRMP-UHFFFAOYSA-N -1 3 380.324 0.308 20 0 GCADHM COC(=O)c1ccc(=O)n(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)n1 ZINC000736952514 599166920 /nfs/dbraw/zinc/16/69/20/599166920.db2.gz YIDMPEWMPKYRMP-UHFFFAOYSA-N -1 3 380.324 0.308 20 0 GCADHM O=C(CNS(=O)(=O)c1cccs1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823009717 599170067 /nfs/dbraw/zinc/17/00/67/599170067.db2.gz RCXLZRDABWQADA-UHFFFAOYSA-N -1 3 396.429 0.662 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822993712 599174702 /nfs/dbraw/zinc/17/47/02/599174702.db2.gz WNHJBOUWUJCTNB-UHFFFAOYSA-N -1 3 387.375 0.487 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822993712 599174705 /nfs/dbraw/zinc/17/47/05/599174705.db2.gz WNHJBOUWUJCTNB-UHFFFAOYSA-N -1 3 387.375 0.487 20 0 GCADHM NS(=O)(=O)c1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cs1 ZINC000822894630 599177243 /nfs/dbraw/zinc/17/72/43/599177243.db2.gz DTYCLERRIKXSPV-UHFFFAOYSA-N -1 3 382.402 0.645 20 0 GCADHM O=C(Cc1ccc(-n2cnnn2)cc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823082879 599179730 /nfs/dbraw/zinc/17/97/30/599179730.db2.gz VEKTTYXHCLODDG-UHFFFAOYSA-N -1 3 379.359 0.840 20 0 GCADHM O=C(Cc1ccc(-n2cnnn2)cc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823082879 599179731 /nfs/dbraw/zinc/17/97/31/599179731.db2.gz VEKTTYXHCLODDG-UHFFFAOYSA-N -1 3 379.359 0.840 20 0 GCADHM CNS(=O)(=O)c1cccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821637528 599181074 /nfs/dbraw/zinc/18/10/74/599181074.db2.gz JYAQXRLCYUSKDC-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM CNS(=O)(=O)c1cccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821637528 599181076 /nfs/dbraw/zinc/18/10/76/599181076.db2.gz JYAQXRLCYUSKDC-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM O=C(CCCS(=O)(=O)N1CCCC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822958862 599181527 /nfs/dbraw/zinc/18/15/27/599181527.db2.gz KKSLDYUMNADGCJ-UHFFFAOYSA-N -1 3 396.448 0.828 20 0 GCADHM O=C(CCCS(=O)(=O)N1CCCC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822958862 599181528 /nfs/dbraw/zinc/18/15/28/599181528.db2.gz KKSLDYUMNADGCJ-UHFFFAOYSA-N -1 3 396.448 0.828 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000820528310 599185064 /nfs/dbraw/zinc/18/50/64/599185064.db2.gz NLQAYLCUCFOXPB-ZBFHGGJFSA-N -1 3 386.456 0.957 20 0 GCADHM CC(=O)Nc1nc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cs1 ZINC000735488251 599188024 /nfs/dbraw/zinc/18/80/24/599188024.db2.gz ICSIVURXEUHFJO-UHFFFAOYSA-N -1 3 377.415 0.836 20 0 GCADHM CC(=O)Nc1nc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cs1 ZINC000735488251 599188025 /nfs/dbraw/zinc/18/80/25/599188025.db2.gz ICSIVURXEUHFJO-UHFFFAOYSA-N -1 3 377.415 0.836 20 0 GCADHM COc1ccccc1[C@H](CO)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737143605 599189669 /nfs/dbraw/zinc/18/96/69/599189669.db2.gz WYTVXODEBSUASA-AWEZNQCLSA-N -1 3 398.427 0.715 20 0 GCADHM COc1ccccc1[C@H](CO)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737143605 599189671 /nfs/dbraw/zinc/18/96/71/599189671.db2.gz WYTVXODEBSUASA-AWEZNQCLSA-N -1 3 398.427 0.715 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000820542704 599187044 /nfs/dbraw/zinc/18/70/44/599187044.db2.gz QUSPFRSHYFBMHX-GFCCVEGCSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000820542704 599187045 /nfs/dbraw/zinc/18/70/45/599187045.db2.gz QUSPFRSHYFBMHX-GFCCVEGCSA-N -1 3 396.407 0.815 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822205719 599195849 /nfs/dbraw/zinc/19/58/49/599195849.db2.gz GDAWRPGUTOEHCU-LZNQSLFOSA-N -1 3 392.423 0.844 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822205719 599195852 /nfs/dbraw/zinc/19/58/52/599195852.db2.gz GDAWRPGUTOEHCU-LZNQSLFOSA-N -1 3 392.423 0.844 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822205870 599195942 /nfs/dbraw/zinc/19/59/42/599195942.db2.gz LMSBWIOEZNPATG-AWEZNQCLSA-N -1 3 396.411 0.209 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822205870 599195944 /nfs/dbraw/zinc/19/59/44/599195944.db2.gz LMSBWIOEZNPATG-AWEZNQCLSA-N -1 3 396.411 0.209 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822205718 599196270 /nfs/dbraw/zinc/19/62/70/599196270.db2.gz GDAWRPGUTOEHCU-KIUWMYQTSA-N -1 3 392.423 0.844 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822205718 599196272 /nfs/dbraw/zinc/19/62/72/599196272.db2.gz GDAWRPGUTOEHCU-KIUWMYQTSA-N -1 3 392.423 0.844 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000821691930 599196759 /nfs/dbraw/zinc/19/67/59/599196759.db2.gz JZGFKOWKZFSHAG-ZDUSSCGKSA-N -1 3 391.428 0.766 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000821691930 599196760 /nfs/dbraw/zinc/19/67/60/599196760.db2.gz JZGFKOWKZFSHAG-ZDUSSCGKSA-N -1 3 391.428 0.766 20 0 GCADHM O=C(CCCn1ccccc1=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737836940 599200695 /nfs/dbraw/zinc/20/06/95/599200695.db2.gz QSUOUSPHYAFNGV-UHFFFAOYSA-N -1 3 394.439 0.552 20 0 GCADHM O=C(CCCn1ccccc1=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737836940 599200697 /nfs/dbraw/zinc/20/06/97/599200697.db2.gz QSUOUSPHYAFNGV-UHFFFAOYSA-N -1 3 394.439 0.552 20 0 GCADHM O=C(CCCn1ccccc1=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737838141 599200821 /nfs/dbraw/zinc/20/08/21/599200821.db2.gz WOOQZFQVQOHQFM-UHFFFAOYSA-N -1 3 394.439 0.552 20 0 GCADHM O=C(CCCn1ccccc1=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737838141 599200822 /nfs/dbraw/zinc/20/08/22/599200822.db2.gz WOOQZFQVQOHQFM-UHFFFAOYSA-N -1 3 394.439 0.552 20 0 GCADHM CCc1nncn1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000821555003 599205641 /nfs/dbraw/zinc/20/56/41/599205641.db2.gz YCDLOTFEILRPMM-HNNXBMFYSA-N -1 3 381.444 0.806 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657683 599207823 /nfs/dbraw/zinc/20/78/23/599207823.db2.gz MFHQRSNVCMOGGM-ABAIWWIYSA-N -1 3 380.412 0.453 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657683 599207824 /nfs/dbraw/zinc/20/78/24/599207824.db2.gz MFHQRSNVCMOGGM-ABAIWWIYSA-N -1 3 380.412 0.453 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000823077876 599210458 /nfs/dbraw/zinc/21/04/58/599210458.db2.gz BRJOQRXTJPCKIG-ZDUSSCGKSA-N -1 3 387.425 0.604 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000823077876 599210460 /nfs/dbraw/zinc/21/04/60/599210460.db2.gz BRJOQRXTJPCKIG-ZDUSSCGKSA-N -1 3 387.425 0.604 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820656829 599211296 /nfs/dbraw/zinc/21/12/96/599211296.db2.gz HNGJJZVSGIQJKI-XHDPSFHLSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@H]1C[C@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820658322 599211857 /nfs/dbraw/zinc/21/18/57/599211857.db2.gz RNARCUYAAYXYRV-NHYWBVRUSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@H]1C[C@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820658322 599211859 /nfs/dbraw/zinc/21/18/59/599211859.db2.gz RNARCUYAAYXYRV-NHYWBVRUSA-N -1 3 396.411 0.289 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000736303732 599213883 /nfs/dbraw/zinc/21/38/83/599213883.db2.gz MTKRWPYKXUWBNI-ZDUSSCGKSA-N -1 3 376.442 0.673 20 0 GCADHM CC[S@@](=O)CCNC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736666439 599214176 /nfs/dbraw/zinc/21/41/76/599214176.db2.gz RYXKDOFUHUNBLF-HHHXNRCGSA-N -1 3 395.464 0.606 20 0 GCADHM CC[S@@](=O)CCNC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736666439 599214177 /nfs/dbraw/zinc/21/41/77/599214177.db2.gz RYXKDOFUHUNBLF-HHHXNRCGSA-N -1 3 395.464 0.606 20 0 GCADHM CS(=O)(=O)Cc1ccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737163534 599217484 /nfs/dbraw/zinc/21/74/84/599217484.db2.gz YCJWEPLPWXNFPP-UHFFFAOYSA-N -1 3 391.409 0.813 20 0 GCADHM O=C(COC(=O)CCCn1ccccc1=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737905690 599217760 /nfs/dbraw/zinc/21/77/60/599217760.db2.gz URXVHXXOZHDIIU-UHFFFAOYSA-N -1 3 382.380 0.991 20 0 GCADHM O=C(COC(=O)CCCn1ccccc1=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737905690 599217761 /nfs/dbraw/zinc/21/77/61/599217761.db2.gz URXVHXXOZHDIIU-UHFFFAOYSA-N -1 3 382.380 0.991 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000737056267 599219040 /nfs/dbraw/zinc/21/90/40/599219040.db2.gz BCCXRFXZWVACHQ-MHZLTWQESA-N -1 3 394.457 0.477 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000737056267 599219042 /nfs/dbraw/zinc/21/90/42/599219042.db2.gz BCCXRFXZWVACHQ-MHZLTWQESA-N -1 3 394.457 0.477 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000737064136 599219538 /nfs/dbraw/zinc/21/95/38/599219538.db2.gz USAXMMFCNIJMOP-JTQLQIEISA-N -1 3 381.418 0.031 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000737064136 599219540 /nfs/dbraw/zinc/21/95/40/599219540.db2.gz USAXMMFCNIJMOP-JTQLQIEISA-N -1 3 381.418 0.031 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000532675544 596901628 /nfs/dbraw/zinc/90/16/28/596901628.db2.gz QVEFNNINXQXZCH-OAHLLOKOSA-N -1 3 397.497 0.562 20 0 GCADHM C[C@@H](C(=O)N(CCN(C)C)CC(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000532866680 596931403 /nfs/dbraw/zinc/93/14/03/596931403.db2.gz ZUBYUZLAIDSVMM-CYBMUJFWSA-N -1 3 385.486 0.515 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000821688614 607261462 /nfs/dbraw/zinc/26/14/62/607261462.db2.gz RYPFMEIYLPSMFP-UHFFFAOYSA-N -1 3 380.474 0.351 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000821688614 607261463 /nfs/dbraw/zinc/26/14/63/607261463.db2.gz RYPFMEIYLPSMFP-UHFFFAOYSA-N -1 3 380.474 0.351 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000821688722 607261523 /nfs/dbraw/zinc/26/15/23/607261523.db2.gz XBVSJMYQCLEFGO-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000821688722 607261524 /nfs/dbraw/zinc/26/15/24/607261524.db2.gz XBVSJMYQCLEFGO-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821662809 599232799 /nfs/dbraw/zinc/23/27/99/599232799.db2.gz UJUVDKWVIQTBOT-UHFFFAOYSA-N -1 3 395.441 0.518 20 0 GCADHM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821662809 599232800 /nfs/dbraw/zinc/23/28/00/599232800.db2.gz UJUVDKWVIQTBOT-UHFFFAOYSA-N -1 3 395.441 0.518 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000737614392 599234653 /nfs/dbraw/zinc/23/46/53/599234653.db2.gz WVTPMWKZDBIYGR-AWEZNQCLSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737614392 599234655 /nfs/dbraw/zinc/23/46/55/599234655.db2.gz WVTPMWKZDBIYGR-AWEZNQCLSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737614541 599234984 /nfs/dbraw/zinc/23/49/84/599234984.db2.gz YTTJUPBTACADLQ-CQSZACIVSA-N -1 3 396.411 0.291 20 0 GCADHM CCN1CCN([C@H](C)CNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000739452936 597013892 /nfs/dbraw/zinc/01/38/92/597013892.db2.gz BSNBPKPYXVYLKI-QAPCUYQASA-N -1 3 387.484 0.848 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2C[C@H]3OCCN(C)[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822542578 607265600 /nfs/dbraw/zinc/26/56/00/607265600.db2.gz ZWIGKKOPGLMITN-CYZMBNFOSA-N -1 3 375.433 0.418 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2C[C@H]3OCCN(C)[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822542578 607265601 /nfs/dbraw/zinc/26/56/01/607265601.db2.gz ZWIGKKOPGLMITN-CYZMBNFOSA-N -1 3 375.433 0.418 20 0 GCADHM Cc1sc(NC(=O)CN2C[C@H]3OCCN(C)[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822558593 607265802 /nfs/dbraw/zinc/26/58/02/607265802.db2.gz RWWXNXUUWDJIFO-NWDGAFQWSA-N -1 3 377.474 0.498 20 0 GCADHM Cc1sc(NC(=O)CN2C[C@H]3OCCN(C)[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822558593 607265803 /nfs/dbraw/zinc/26/58/03/607265803.db2.gz RWWXNXUUWDJIFO-NWDGAFQWSA-N -1 3 377.474 0.498 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C[C@@H]1C ZINC000737004428 599237012 /nfs/dbraw/zinc/23/70/12/599237012.db2.gz MKFAJZRXBPQNRS-ZDUSSCGKSA-N -1 3 380.474 0.516 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C[C@@H]1C ZINC000737004428 599237014 /nfs/dbraw/zinc/23/70/14/599237014.db2.gz MKFAJZRXBPQNRS-ZDUSSCGKSA-N -1 3 380.474 0.516 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCN1CCOC ZINC000736406384 599237084 /nfs/dbraw/zinc/23/70/84/599237084.db2.gz KPHMCGQWFXALHZ-GFCCVEGCSA-N -1 3 398.464 0.737 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCN1CCOC ZINC000736406384 599237085 /nfs/dbraw/zinc/23/70/85/599237085.db2.gz KPHMCGQWFXALHZ-GFCCVEGCSA-N -1 3 398.464 0.737 20 0 GCADHM COCCN1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000737002446 599237195 /nfs/dbraw/zinc/23/71/95/599237195.db2.gz BATAHNMJBZCWAA-ZDUSSCGKSA-N -1 3 380.474 0.349 20 0 GCADHM COCCN1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000737002446 599237196 /nfs/dbraw/zinc/23/71/96/599237196.db2.gz BATAHNMJBZCWAA-ZDUSSCGKSA-N -1 3 380.474 0.349 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1CCOC ZINC000736405621 599237481 /nfs/dbraw/zinc/23/74/81/599237481.db2.gz HAUXYXKTRRMEEF-CQSZACIVSA-N -1 3 380.474 0.598 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1CCOC ZINC000736405621 599237483 /nfs/dbraw/zinc/23/74/83/599237483.db2.gz HAUXYXKTRRMEEF-CQSZACIVSA-N -1 3 380.474 0.598 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822205623 599241511 /nfs/dbraw/zinc/24/15/11/599241511.db2.gz AYRKCJOYUPISCC-ZDUSSCGKSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822205623 599241512 /nfs/dbraw/zinc/24/15/12/599241512.db2.gz AYRKCJOYUPISCC-ZDUSSCGKSA-N -1 3 381.400 0.836 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCN1CCOC ZINC000736412164 599244208 /nfs/dbraw/zinc/24/42/08/599244208.db2.gz UKQZTDHTQGOYPF-HNNXBMFYSA-N -1 3 387.444 0.374 20 0 GCADHM Cc1oc(NC(=O)COC(=O)COC2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000737550732 599242335 /nfs/dbraw/zinc/24/23/35/599242335.db2.gz BXYXASAHMNICOP-UHFFFAOYSA-N -1 3 379.373 0.754 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC000735510807 599242801 /nfs/dbraw/zinc/24/28/01/599242801.db2.gz BGHBJFSJZLEEMB-ZDUSSCGKSA-N -1 3 398.427 0.278 20 0 GCADHM Cc1c(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cccc1-c1nnn[n-]1 ZINC000822115897 607269215 /nfs/dbraw/zinc/26/92/15/607269215.db2.gz IZQTYPIBGSPPKK-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM Cc1c(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cccc1-c1nn[n-]n1 ZINC000822115897 607269216 /nfs/dbraw/zinc/26/92/16/607269216.db2.gz IZQTYPIBGSPPKK-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM CN1C(=O)COc2ccc(NCC(=O)NCc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000821620246 599243943 /nfs/dbraw/zinc/24/39/43/599243943.db2.gz CXDXBNJYJGQZOT-UHFFFAOYSA-N -1 3 393.407 0.950 20 0 GCADHM CN1C(=O)COc2ccc(NCC(=O)NCc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000821620246 599243945 /nfs/dbraw/zinc/24/39/45/599243945.db2.gz CXDXBNJYJGQZOT-UHFFFAOYSA-N -1 3 393.407 0.950 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821441362 607276061 /nfs/dbraw/zinc/27/60/61/607276061.db2.gz KUSCJIXMPHNUQK-SECBINFHSA-N -1 3 380.430 0.053 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821441362 607276062 /nfs/dbraw/zinc/27/60/62/607276062.db2.gz KUSCJIXMPHNUQK-SECBINFHSA-N -1 3 380.430 0.053 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000738091089 599244587 /nfs/dbraw/zinc/24/45/87/599244587.db2.gz ZFXGBCOYHWDPFT-NEPJUHHUSA-N -1 3 398.345 0.819 20 0 GCADHM COCCN1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC000737002955 599244738 /nfs/dbraw/zinc/24/47/38/599244738.db2.gz DQFNTJHUYTXVKL-CYBMUJFWSA-N -1 3 389.464 0.036 20 0 GCADHM COCCN1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC000737002955 599244740 /nfs/dbraw/zinc/24/47/40/599244740.db2.gz DQFNTJHUYTXVKL-CYBMUJFWSA-N -1 3 389.464 0.036 20 0 GCADHM O=C(CNC(=O)Cc1ccccc1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737888988 599244832 /nfs/dbraw/zinc/24/48/32/599244832.db2.gz JMYMIKVOUOWFEU-UHFFFAOYSA-N -1 3 380.408 0.721 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)Nc3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000822690080 599246118 /nfs/dbraw/zinc/24/61/18/599246118.db2.gz RYDVOWKIDXFTKM-ZDUSSCGKSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000822690080 599246121 /nfs/dbraw/zinc/24/61/21/599246121.db2.gz RYDVOWKIDXFTKM-ZDUSSCGKSA-N -1 3 381.400 0.917 20 0 GCADHM O=C(CS[C@@H]1CCS(=O)(=O)C1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737932821 599246260 /nfs/dbraw/zinc/24/62/60/599246260.db2.gz QPXBQGLJSZOWHA-CYBMUJFWSA-N -1 3 397.482 0.282 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822052563 607273042 /nfs/dbraw/zinc/27/30/42/607273042.db2.gz DCWITMHYJKGHBB-CYBMUJFWSA-N -1 3 396.407 0.670 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822052563 607273043 /nfs/dbraw/zinc/27/30/43/607273043.db2.gz DCWITMHYJKGHBB-CYBMUJFWSA-N -1 3 396.407 0.670 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821687922 607273641 /nfs/dbraw/zinc/27/36/41/607273641.db2.gz VXUTUYQOTSBGEV-UHFFFAOYSA-N -1 3 376.417 0.625 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821687922 607273642 /nfs/dbraw/zinc/27/36/42/607273642.db2.gz VXUTUYQOTSBGEV-UHFFFAOYSA-N -1 3 376.417 0.625 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)C(=O)NCc2ccco2)cccc1-c1nnn[n-]1 ZINC000822044239 607274379 /nfs/dbraw/zinc/27/43/79/607274379.db2.gz JGSLJTFHXFKLPX-NSHDSACASA-N -1 3 397.395 0.528 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)C(=O)NCc2ccco2)cccc1-c1nn[n-]n1 ZINC000822044239 607274380 /nfs/dbraw/zinc/27/43/80/607274380.db2.gz JGSLJTFHXFKLPX-NSHDSACASA-N -1 3 397.395 0.528 20 0 GCADHM CNC(=O)C1CCC(NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821631879 607274488 /nfs/dbraw/zinc/27/44/88/607274488.db2.gz WMBNLHKYJJZUPI-UHFFFAOYSA-N -1 3 385.428 0.535 20 0 GCADHM CNC(=O)C1CCC(NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821631879 607274489 /nfs/dbraw/zinc/27/44/89/607274489.db2.gz WMBNLHKYJJZUPI-UHFFFAOYSA-N -1 3 385.428 0.535 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)cccc1-c1nnn[n-]1 ZINC000822052789 607275207 /nfs/dbraw/zinc/27/52/07/607275207.db2.gz GERWPUXYOKNOGM-UHFFFAOYSA-N -1 3 393.407 0.571 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)cccc1-c1nn[n-]n1 ZINC000822052789 607275208 /nfs/dbraw/zinc/27/52/08/607275208.db2.gz GERWPUXYOKNOGM-UHFFFAOYSA-N -1 3 393.407 0.571 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822053806 607275349 /nfs/dbraw/zinc/27/53/49/607275349.db2.gz RMPKEZHFUSYBEN-JTQLQIEISA-N -1 3 397.361 0.866 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822053806 607275350 /nfs/dbraw/zinc/27/53/50/607275350.db2.gz RMPKEZHFUSYBEN-JTQLQIEISA-N -1 3 397.361 0.866 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C[C@H]1C ZINC000737006450 599244250 /nfs/dbraw/zinc/24/42/50/599244250.db2.gz XKYNTGMSBHBEQU-CYBMUJFWSA-N -1 3 387.444 0.293 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000737023968 599250219 /nfs/dbraw/zinc/25/02/19/599250219.db2.gz IHCLDVUYMSKNPJ-AWEZNQCLSA-N -1 3 388.428 0.187 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000737023968 599250220 /nfs/dbraw/zinc/25/02/20/599250220.db2.gz IHCLDVUYMSKNPJ-AWEZNQCLSA-N -1 3 388.428 0.187 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000737023971 599250223 /nfs/dbraw/zinc/25/02/23/599250223.db2.gz IHCLDVUYMSKNPJ-CQSZACIVSA-N -1 3 388.428 0.187 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000737023971 599250224 /nfs/dbraw/zinc/25/02/24/599250224.db2.gz IHCLDVUYMSKNPJ-CQSZACIVSA-N -1 3 388.428 0.187 20 0 GCADHM CS(=O)(=O)CCOCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821927421 599250567 /nfs/dbraw/zinc/25/05/67/599250567.db2.gz WANIKKPKNJEMFF-UHFFFAOYSA-N -1 3 388.837 0.703 20 0 GCADHM CS(=O)(=O)CCOCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821927421 599250569 /nfs/dbraw/zinc/25/05/69/599250569.db2.gz WANIKKPKNJEMFF-UHFFFAOYSA-N -1 3 388.837 0.703 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C(=O)N2CCCC2)C(C)C)cccc1-c1nnn[n-]1 ZINC000822061630 607279430 /nfs/dbraw/zinc/27/94/30/607279430.db2.gz SERQGJGOSGORKM-HNNXBMFYSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C(=O)N2CCCC2)C(C)C)cccc1-c1nn[n-]n1 ZINC000822061630 607279431 /nfs/dbraw/zinc/27/94/31/607279431.db2.gz SERQGJGOSGORKM-HNNXBMFYSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cccc1-c1nnn[n-]1 ZINC000822043074 607279553 /nfs/dbraw/zinc/27/95/53/607279553.db2.gz AWVRLHBRJZQPOA-CQSZACIVSA-N -1 3 383.412 0.383 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cccc1-c1nn[n-]n1 ZINC000822043074 607279554 /nfs/dbraw/zinc/27/95/54/607279554.db2.gz AWVRLHBRJZQPOA-CQSZACIVSA-N -1 3 383.412 0.383 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)cccc1-c1nnn[n-]1 ZINC000822043043 607279613 /nfs/dbraw/zinc/27/96/13/607279613.db2.gz AVQVCBFMBODOIM-UHFFFAOYSA-N -1 3 392.441 0.149 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)cccc1-c1nn[n-]n1 ZINC000822043043 607279614 /nfs/dbraw/zinc/27/96/14/607279614.db2.gz AVQVCBFMBODOIM-UHFFFAOYSA-N -1 3 392.441 0.149 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821636210 607280509 /nfs/dbraw/zinc/28/05/09/607280509.db2.gz JQLSSSAFBGXBPZ-NSHDSACASA-N -1 3 379.446 0.721 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821636210 607280510 /nfs/dbraw/zinc/28/05/10/607280510.db2.gz JQLSSSAFBGXBPZ-NSHDSACASA-N -1 3 379.446 0.721 20 0 GCADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)NC(CO)CO ZINC000823382959 599253240 /nfs/dbraw/zinc/25/32/40/599253240.db2.gz HUNZURBOMGHHQH-UHFFFAOYSA-N -1 3 375.414 0.389 20 0 GCADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)NC(CO)CO ZINC000823382959 599253243 /nfs/dbraw/zinc/25/32/43/599253243.db2.gz HUNZURBOMGHHQH-UHFFFAOYSA-N -1 3 375.414 0.389 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000738198589 599253417 /nfs/dbraw/zinc/25/34/17/599253417.db2.gz XCGQCERSQBFLQG-VIFPVBQESA-N -1 3 385.334 0.953 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000738198589 599253420 /nfs/dbraw/zinc/25/34/20/599253420.db2.gz XCGQCERSQBFLQG-VIFPVBQESA-N -1 3 385.334 0.953 20 0 GCADHM CCN1C(=O)c2ccc(C(=O)Nc3ccncc3-c3nnn[n-]3)cc2S1(=O)=O ZINC000736565058 599257055 /nfs/dbraw/zinc/25/70/55/599257055.db2.gz GQQUXKKLEBSXGV-UHFFFAOYSA-N -1 3 399.392 0.100 20 0 GCADHM CCN1C(=O)c2ccc(C(=O)Nc3ccncc3-c3nn[n-]n3)cc2S1(=O)=O ZINC000736565058 599257058 /nfs/dbraw/zinc/25/70/58/599257058.db2.gz GQQUXKKLEBSXGV-UHFFFAOYSA-N -1 3 399.392 0.100 20 0 GCADHM Cc1c(NC(=O)N(C)C[C@H](O)CN2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822075288 607285468 /nfs/dbraw/zinc/28/54/68/607285468.db2.gz AVYMNZNKKBSZLX-ZDUSSCGKSA-N -1 3 375.433 0.332 20 0 GCADHM Cc1c(NC(=O)N(C)C[C@H](O)CN2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822075288 607285469 /nfs/dbraw/zinc/28/54/69/607285469.db2.gz AVYMNZNKKBSZLX-ZDUSSCGKSA-N -1 3 375.433 0.332 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736189456 599262521 /nfs/dbraw/zinc/26/25/21/599262521.db2.gz PTMDRXJIGPODDX-ZDUSSCGKSA-N -1 3 380.412 0.773 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736189456 599262526 /nfs/dbraw/zinc/26/25/26/599262526.db2.gz PTMDRXJIGPODDX-ZDUSSCGKSA-N -1 3 380.412 0.773 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1CN(C)CCO1 ZINC000820314444 607292607 /nfs/dbraw/zinc/29/26/07/607292607.db2.gz IZMFHCFETXEVJL-RNCFNFMXSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1CN(C)CCO1 ZINC000820314444 607292608 /nfs/dbraw/zinc/29/26/08/607292608.db2.gz IZMFHCFETXEVJL-RNCFNFMXSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)[C@H]1CN(C)CCO1 ZINC000820317009 607293142 /nfs/dbraw/zinc/29/31/42/607293142.db2.gz ZLPMBPVOCYOANR-NOZJJQNGSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000820317027 607293169 /nfs/dbraw/zinc/29/31/69/607293169.db2.gz ZQNCNESILAGHPW-NOZJJQNGSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000820317027 607293170 /nfs/dbraw/zinc/29/31/70/607293170.db2.gz ZQNCNESILAGHPW-NOZJJQNGSA-N -1 3 393.835 0.294 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822242563 607294263 /nfs/dbraw/zinc/29/42/63/607294263.db2.gz PIYHVZCWWKDGNT-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822242563 607294264 /nfs/dbraw/zinc/29/42/64/607294264.db2.gz PIYHVZCWWKDGNT-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM C[C@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820366394 599259287 /nfs/dbraw/zinc/25/92/87/599259287.db2.gz NXQCVFCKZASCEQ-NSHDSACASA-N -1 3 382.446 0.288 20 0 GCADHM C[C@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820366394 599259289 /nfs/dbraw/zinc/25/92/89/599259289.db2.gz NXQCVFCKZASCEQ-NSHDSACASA-N -1 3 382.446 0.288 20 0 GCADHM C[C@@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350435 607298826 /nfs/dbraw/zinc/29/88/26/607298826.db2.gz KSZFHMKXEXXZKQ-CYBMUJFWSA-N -1 3 386.460 0.343 20 0 GCADHM C[C@@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350435 607298827 /nfs/dbraw/zinc/29/88/27/607298827.db2.gz KSZFHMKXEXXZKQ-CYBMUJFWSA-N -1 3 386.460 0.343 20 0 GCADHM CC(C)(CNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)N1CCS(=O)CC1 ZINC000819980637 607300107 /nfs/dbraw/zinc/30/01/07/607300107.db2.gz GISYFZBQGTXQEJ-UHFFFAOYSA-N -1 3 397.892 0.488 20 0 GCADHM CC(C)(CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)N1CCS(=O)CC1 ZINC000819980637 607300108 /nfs/dbraw/zinc/30/01/08/607300108.db2.gz GISYFZBQGTXQEJ-UHFFFAOYSA-N -1 3 397.892 0.488 20 0 GCADHM CN(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C)C1=O ZINC000821621679 607301422 /nfs/dbraw/zinc/30/14/22/607301422.db2.gz BOZVUVYNNFDQHU-AWEZNQCLSA-N -1 3 385.428 0.665 20 0 GCADHM CN(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@H]1CCN(C)C1=O ZINC000821621679 607301423 /nfs/dbraw/zinc/30/14/23/607301423.db2.gz BOZVUVYNNFDQHU-AWEZNQCLSA-N -1 3 385.428 0.665 20 0 GCADHM C[C@@H]1Oc2ccc(NC[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2NC1=O ZINC000820821344 607308793 /nfs/dbraw/zinc/30/87/93/607308793.db2.gz SHTNWLZMSKXCAG-VHSXEESVSA-N -1 3 381.400 0.936 20 0 GCADHM C[C@@H]1Oc2ccc(NC[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2NC1=O ZINC000820821344 607308794 /nfs/dbraw/zinc/30/87/94/607308794.db2.gz SHTNWLZMSKXCAG-VHSXEESVSA-N -1 3 381.400 0.936 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000735473518 599264332 /nfs/dbraw/zinc/26/43/32/599264332.db2.gz ITMNOHXCBBHHTO-ZDUSSCGKSA-N -1 3 376.442 0.322 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000735473518 599264334 /nfs/dbraw/zinc/26/43/34/599264334.db2.gz ITMNOHXCBBHHTO-ZDUSSCGKSA-N -1 3 376.442 0.322 20 0 GCADHM NC(=O)CCOc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000822868835 607310345 /nfs/dbraw/zinc/31/03/45/607310345.db2.gz IVAVCNTWNMNIFB-LLVKDONJSA-N -1 3 383.416 0.471 20 0 GCADHM NC(=O)CCOc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000822868835 607310346 /nfs/dbraw/zinc/31/03/46/607310346.db2.gz IVAVCNTWNMNIFB-LLVKDONJSA-N -1 3 383.416 0.471 20 0 GCADHM Cc1c(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cccc1-n1cnnn1 ZINC000822122104 607310792 /nfs/dbraw/zinc/31/07/92/607310792.db2.gz JSPPYBHXKPYPDB-NSHDSACASA-N -1 3 378.404 0.501 20 0 GCADHM Cc1c(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cccc1-n1cnnn1 ZINC000822122104 607310793 /nfs/dbraw/zinc/31/07/93/607310793.db2.gz JSPPYBHXKPYPDB-NSHDSACASA-N -1 3 378.404 0.501 20 0 GCADHM CS(=O)(=O)Nc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821937725 607310831 /nfs/dbraw/zinc/31/08/31/607310831.db2.gz PWXNGMKDHIASDK-SNVBAGLBSA-N -1 3 389.445 0.589 20 0 GCADHM CS(=O)(=O)Nc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821937725 607310832 /nfs/dbraw/zinc/31/08/32/607310832.db2.gz PWXNGMKDHIASDK-SNVBAGLBSA-N -1 3 389.445 0.589 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(C)CC(C)(CO)CO ZINC000819868477 607311161 /nfs/dbraw/zinc/31/11/61/607311161.db2.gz YUKARGCYZOLBOP-SNVBAGLBSA-N -1 3 382.852 0.770 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(C)CC(C)(CO)CO ZINC000819868477 607311162 /nfs/dbraw/zinc/31/11/62/607311162.db2.gz YUKARGCYZOLBOP-SNVBAGLBSA-N -1 3 382.852 0.770 20 0 GCADHM Cc1oc(NC(=O)CN2CCN([C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1C ZINC000822548762 607311769 /nfs/dbraw/zinc/31/17/69/607311769.db2.gz NGJANKVVKVHOLF-ZDUSSCGKSA-N -1 3 375.433 0.422 20 0 GCADHM Cc1oc(NC(=O)CN2CCN([C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1C ZINC000822548762 607311770 /nfs/dbraw/zinc/31/17/70/607311770.db2.gz NGJANKVVKVHOLF-ZDUSSCGKSA-N -1 3 375.433 0.422 20 0 GCADHM O=C1[C@H](N2CCN([C@@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823504309 607311885 /nfs/dbraw/zinc/31/18/85/607311885.db2.gz OWOWVHNNFHDFKX-IAGOWNOFSA-N -1 3 383.456 0.379 20 0 GCADHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000819899505 607313930 /nfs/dbraw/zinc/31/39/30/607313930.db2.gz VGMMJRCKUODUBC-GFCCVEGCSA-N -1 3 384.437 0.586 20 0 GCADHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000819899505 607313931 /nfs/dbraw/zinc/31/39/31/607313931.db2.gz VGMMJRCKUODUBC-GFCCVEGCSA-N -1 3 384.437 0.586 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC1CCN(S(C)(=O)=O)CC1 ZINC000737410401 599265330 /nfs/dbraw/zinc/26/53/30/599265330.db2.gz SNRWZIRRWARHBI-UHFFFAOYSA-N -1 3 387.469 0.981 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC1CCN(S(C)(=O)=O)CC1 ZINC000737410401 599265332 /nfs/dbraw/zinc/26/53/32/599265332.db2.gz SNRWZIRRWARHBI-UHFFFAOYSA-N -1 3 387.469 0.981 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](CO)Cc2ccco2)c(-c2nnn[n-]2)c1 ZINC000737770333 599265684 /nfs/dbraw/zinc/26/56/84/599265684.db2.gz STSAXKMEAGICOU-JTQLQIEISA-N -1 3 378.414 0.370 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](CO)Cc2ccco2)c(-c2nn[n-]n2)c1 ZINC000737770333 599265687 /nfs/dbraw/zinc/26/56/87/599265687.db2.gz STSAXKMEAGICOU-JTQLQIEISA-N -1 3 378.414 0.370 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737760775 599265750 /nfs/dbraw/zinc/26/57/50/599265750.db2.gz SEENZEALKAZYER-UHFFFAOYSA-N -1 3 391.435 0.857 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737760775 599265753 /nfs/dbraw/zinc/26/57/53/599265753.db2.gz SEENZEALKAZYER-UHFFFAOYSA-N -1 3 391.435 0.857 20 0 GCADHM O[C@H](CNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21)CN1CCOCC1 ZINC000823690962 607303251 /nfs/dbraw/zinc/30/32/51/607303251.db2.gz ZATLKWSCSUFRGQ-GFCCVEGCSA-N -1 3 389.847 0.595 20 0 GCADHM O[C@H](CNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21)CN1CCOCC1 ZINC000823690962 607303252 /nfs/dbraw/zinc/30/32/52/607303252.db2.gz ZATLKWSCSUFRGQ-GFCCVEGCSA-N -1 3 389.847 0.595 20 0 GCADHM COCCCNC(=O)CN1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821687729 607303765 /nfs/dbraw/zinc/30/37/65/607303765.db2.gz MDBCHGUPTWJPCD-UHFFFAOYSA-N -1 3 377.424 0.281 20 0 GCADHM COCCCNC(=O)CN1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821687729 607303766 /nfs/dbraw/zinc/30/37/66/607303766.db2.gz MDBCHGUPTWJPCD-UHFFFAOYSA-N -1 3 377.424 0.281 20 0 GCADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000822191574 607303899 /nfs/dbraw/zinc/30/38/99/607303899.db2.gz KKFRYOWOFJHCCF-CYBMUJFWSA-N -1 3 377.474 0.188 20 0 GCADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000822191574 607303900 /nfs/dbraw/zinc/30/39/00/607303900.db2.gz KKFRYOWOFJHCCF-CYBMUJFWSA-N -1 3 377.474 0.188 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC000823612840 607304092 /nfs/dbraw/zinc/30/40/92/607304092.db2.gz DKLFDWAPSXYRJN-NSHDSACASA-N -1 3 384.412 0.454 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC000823612840 607304093 /nfs/dbraw/zinc/30/40/93/607304093.db2.gz DKLFDWAPSXYRJN-NSHDSACASA-N -1 3 384.412 0.454 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)C1 ZINC000823612625 607304197 /nfs/dbraw/zinc/30/41/97/607304197.db2.gz CWNODTFDGFFEOA-LBPRGKRZSA-N -1 3 382.877 0.829 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)C1 ZINC000823612625 607304198 /nfs/dbraw/zinc/30/41/98/607304198.db2.gz CWNODTFDGFFEOA-LBPRGKRZSA-N -1 3 382.877 0.829 20 0 GCADHM CN(C)CC(=O)Nc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821582946 607317033 /nfs/dbraw/zinc/31/70/33/607317033.db2.gz CNTJBGHEUBCKBN-LBPRGKRZSA-N -1 3 396.459 0.717 20 0 GCADHM CN(C)CC(=O)Nc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821582946 607317034 /nfs/dbraw/zinc/31/70/34/607317034.db2.gz CNTJBGHEUBCKBN-LBPRGKRZSA-N -1 3 396.459 0.717 20 0 GCADHM CC(=O)NC[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000735473935 599270052 /nfs/dbraw/zinc/27/00/52/599270052.db2.gz LSIQTRNTDCXVTB-GXFFZTMASA-N -1 3 391.432 0.240 20 0 GCADHM Cn1cnnc1C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000737618856 599270491 /nfs/dbraw/zinc/27/04/91/599270491.db2.gz OJCDSTCMFBVBJZ-UHFFFAOYSA-N -1 3 389.445 0.027 20 0 GCADHM Cn1cnnc1C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000737618856 599270493 /nfs/dbraw/zinc/27/04/93/599270493.db2.gz OJCDSTCMFBVBJZ-UHFFFAOYSA-N -1 3 389.445 0.027 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCN1C(=S)N=NC1C ZINC000737025015 599275984 /nfs/dbraw/zinc/27/59/84/599275984.db2.gz WRBKPWIKNZOOMI-UHFFFAOYSA-N -1 3 390.429 0.259 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCN1C(=S)N=NC1C ZINC000737025015 599275987 /nfs/dbraw/zinc/27/59/87/599275987.db2.gz WRBKPWIKNZOOMI-UHFFFAOYSA-N -1 3 390.429 0.259 20 0 GCADHM O=C([O-])CNC(=O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000262220966 597772586 /nfs/dbraw/zinc/77/25/86/597772586.db2.gz LHEQANVWOQOVEE-INIZCTEOSA-N -1 3 375.473 0.116 20 0 GCADHM Cc1nnc(COC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)[nH]1 ZINC000822444637 607319695 /nfs/dbraw/zinc/31/96/95/607319695.db2.gz WMMCRORSIXHMBE-UHFFFAOYSA-N -1 3 382.388 0.629 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000736633488 599277981 /nfs/dbraw/zinc/27/79/81/599277981.db2.gz BSVGBUZGOIBCOL-ZDUSSCGKSA-N -1 3 389.416 0.634 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000736633488 599277984 /nfs/dbraw/zinc/27/79/84/599277984.db2.gz BSVGBUZGOIBCOL-ZDUSSCGKSA-N -1 3 389.416 0.634 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000737944164 599279929 /nfs/dbraw/zinc/27/99/29/599279929.db2.gz WIGVCXACNGEGQL-CYBMUJFWSA-N -1 3 386.441 0.478 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000737944164 599279931 /nfs/dbraw/zinc/27/99/31/599279931.db2.gz WIGVCXACNGEGQL-CYBMUJFWSA-N -1 3 386.441 0.478 20 0 GCADHM CO[C@H](C)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821673526 607320334 /nfs/dbraw/zinc/32/03/34/607320334.db2.gz DPYAHXJXEVOWAW-MFKMUULPSA-N -1 3 388.384 0.650 20 0 GCADHM CO[C@H](C)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821673526 607320335 /nfs/dbraw/zinc/32/03/35/607320335.db2.gz DPYAHXJXEVOWAW-MFKMUULPSA-N -1 3 388.384 0.650 20 0 GCADHM CCN(C(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000736505691 599283203 /nfs/dbraw/zinc/28/32/03/599283203.db2.gz RHAYQRQWXWLNRH-AWEZNQCLSA-N -1 3 393.469 0.898 20 0 GCADHM CS(=O)(=O)NCCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821936592 599287147 /nfs/dbraw/zinc/28/71/47/599287147.db2.gz CACMIXRKFOZARH-UHFFFAOYSA-N -1 3 393.351 0.556 20 0 GCADHM CS(=O)(=O)NCCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821936592 599287149 /nfs/dbraw/zinc/28/71/49/599287149.db2.gz CACMIXRKFOZARH-UHFFFAOYSA-N -1 3 393.351 0.556 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000737472524 599289867 /nfs/dbraw/zinc/28/98/67/599289867.db2.gz UAUKIRKNMJRVEA-HNNXBMFYSA-N -1 3 397.443 0.703 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000737472524 599289869 /nfs/dbraw/zinc/28/98/69/599289869.db2.gz UAUKIRKNMJRVEA-HNNXBMFYSA-N -1 3 397.443 0.703 20 0 GCADHM Cc1c(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cccc1-c1nnn[n-]1 ZINC000822108255 607321903 /nfs/dbraw/zinc/32/19/03/607321903.db2.gz GGTBHUXOKZANNU-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM Cc1c(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cccc1-c1nn[n-]n1 ZINC000822108255 607321904 /nfs/dbraw/zinc/32/19/04/607321904.db2.gz GGTBHUXOKZANNU-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)C1=O ZINC000735874992 599290577 /nfs/dbraw/zinc/29/05/77/599290577.db2.gz IZJSBWAPBDUYHI-SFHVURJKSA-N -1 3 398.427 0.210 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC000735874992 599290579 /nfs/dbraw/zinc/29/05/79/599290579.db2.gz IZJSBWAPBDUYHI-SFHVURJKSA-N -1 3 398.427 0.210 20 0 GCADHM O=C(NCc1cn2ccsc2n1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823266338 607333065 /nfs/dbraw/zinc/33/30/65/607333065.db2.gz TYDWYDLJMHGOJE-UHFFFAOYSA-N -1 3 386.372 0.970 20 0 GCADHM O=C(NCc1cn2ccccc2n1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823265988 607333073 /nfs/dbraw/zinc/33/30/73/607333073.db2.gz JQTAHSBYPMQRGT-UHFFFAOYSA-N -1 3 380.343 0.908 20 0 GCADHM O=C(NCc1cn2ccccc2n1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823265988 607333074 /nfs/dbraw/zinc/33/30/74/607333074.db2.gz JQTAHSBYPMQRGT-UHFFFAOYSA-N -1 3 380.343 0.908 20 0 GCADHM O=C(NC[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823166089 607333595 /nfs/dbraw/zinc/33/35/95/607333595.db2.gz DZDHOOWVFKOFDG-CQSZACIVSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823166089 607333596 /nfs/dbraw/zinc/33/35/96/607333596.db2.gz DZDHOOWVFKOFDG-CQSZACIVSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)NCc1ccccc1 ZINC000823000998 607333780 /nfs/dbraw/zinc/33/37/80/607333780.db2.gz HKEQCUKUBMJQIN-UHFFFAOYSA-N -1 3 397.370 0.377 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)NCc1ccccc1 ZINC000823000998 607333781 /nfs/dbraw/zinc/33/37/81/607333781.db2.gz HKEQCUKUBMJQIN-UHFFFAOYSA-N -1 3 397.370 0.377 20 0 GCADHM CN(CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)CC(F)(F)F ZINC000821602459 607339515 /nfs/dbraw/zinc/33/95/15/607339515.db2.gz CUODXCGDKMJTSV-UHFFFAOYSA-N -1 3 389.313 0.555 20 0 GCADHM CN(CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)CC(F)(F)F ZINC000821602459 607339518 /nfs/dbraw/zinc/33/95/18/607339518.db2.gz CUODXCGDKMJTSV-UHFFFAOYSA-N -1 3 389.313 0.555 20 0 GCADHM O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823166799 607340998 /nfs/dbraw/zinc/34/09/98/607340998.db2.gz PVKAENDONFZVLM-GFCCVEGCSA-N -1 3 376.373 0.856 20 0 GCADHM O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823166799 607341000 /nfs/dbraw/zinc/34/10/00/607341000.db2.gz PVKAENDONFZVLM-GFCCVEGCSA-N -1 3 376.373 0.856 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821656153 607341934 /nfs/dbraw/zinc/34/19/34/607341934.db2.gz YQXKGJZXVJLHMT-UHFFFAOYSA-N -1 3 376.348 0.356 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821656153 607341935 /nfs/dbraw/zinc/34/19/35/607341935.db2.gz YQXKGJZXVJLHMT-UHFFFAOYSA-N -1 3 376.348 0.356 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821655813 607342089 /nfs/dbraw/zinc/34/20/89/607342089.db2.gz RWTAZRVKQDUOLU-JTQLQIEISA-N -1 3 376.348 0.356 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821655813 607342091 /nfs/dbraw/zinc/34/20/91/607342091.db2.gz RWTAZRVKQDUOLU-JTQLQIEISA-N -1 3 376.348 0.356 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821692493 607342242 /nfs/dbraw/zinc/34/22/42/607342242.db2.gz ZJFPGKCNRUHTGU-NSHDSACASA-N -1 3 392.391 0.456 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821692493 607342244 /nfs/dbraw/zinc/34/22/44/607342244.db2.gz ZJFPGKCNRUHTGU-NSHDSACASA-N -1 3 392.391 0.456 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821652348 607343400 /nfs/dbraw/zinc/34/34/00/607343400.db2.gz QMNPAXAFGDAFFW-MRXNPFEDSA-N -1 3 376.348 0.356 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821652348 607343402 /nfs/dbraw/zinc/34/34/02/607343402.db2.gz QMNPAXAFGDAFFW-MRXNPFEDSA-N -1 3 376.348 0.356 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000822464021 607344068 /nfs/dbraw/zinc/34/40/68/607344068.db2.gz YHSKGJOWPJJWPJ-LBPRGKRZSA-N -1 3 385.363 0.496 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000822464021 607344069 /nfs/dbraw/zinc/34/40/69/607344069.db2.gz YHSKGJOWPJJWPJ-LBPRGKRZSA-N -1 3 385.363 0.496 20 0 GCADHM CCCC(=O)NCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736408955 598231382 /nfs/dbraw/zinc/23/13/82/598231382.db2.gz AWTLVCHBOSMMHI-UHFFFAOYSA-N -1 3 375.408 0.571 20 0 GCADHM CCOC(=O)CC(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736595874 598231419 /nfs/dbraw/zinc/23/14/19/598231419.db2.gz YBIHSPXJQGWVDJ-UHFFFAOYSA-N -1 3 386.412 0.997 20 0 GCADHM CCOC(=O)CC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736595874 598231421 /nfs/dbraw/zinc/23/14/21/598231421.db2.gz YBIHSPXJQGWVDJ-UHFFFAOYSA-N -1 3 386.412 0.997 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCN1CCCS1(=O)=O ZINC000736171155 598232384 /nfs/dbraw/zinc/23/23/84/598232384.db2.gz UIYOLNXBDNQLEB-GFCCVEGCSA-N -1 3 394.457 0.176 20 0 GCADHM CN(Cc1cnn(C)c1)CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736831760 598233414 /nfs/dbraw/zinc/23/34/14/598233414.db2.gz UIAWKMNCFLWEIZ-SFHVURJKSA-N -1 3 395.427 0.457 20 0 GCADHM CN(Cc1cnn(C)c1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736831760 598233416 /nfs/dbraw/zinc/23/34/16/598233416.db2.gz UIAWKMNCFLWEIZ-SFHVURJKSA-N -1 3 395.427 0.457 20 0 GCADHM CC(C)C[C@H]1NC(=O)N(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000735796214 598234060 /nfs/dbraw/zinc/23/40/60/598234060.db2.gz XCQRIIFMAUFMCV-OAHLLOKOSA-N -1 3 398.471 0.913 20 0 GCADHM CC(C)C[C@H]1NC(=O)N(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000735796214 598234062 /nfs/dbraw/zinc/23/40/62/598234062.db2.gz XCQRIIFMAUFMCV-OAHLLOKOSA-N -1 3 398.471 0.913 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000736214313 598234727 /nfs/dbraw/zinc/23/47/27/598234727.db2.gz MOGCPIXPVLAUAP-LJQANCHMSA-N -1 3 396.455 0.667 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000736214313 598234729 /nfs/dbraw/zinc/23/47/29/598234729.db2.gz MOGCPIXPVLAUAP-LJQANCHMSA-N -1 3 396.455 0.667 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000736214309 598234830 /nfs/dbraw/zinc/23/48/30/598234830.db2.gz MOGCPIXPVLAUAP-IBGZPJMESA-N -1 3 396.455 0.667 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000736214309 598234831 /nfs/dbraw/zinc/23/48/31/598234831.db2.gz MOGCPIXPVLAUAP-IBGZPJMESA-N -1 3 396.455 0.667 20 0 GCADHM O=C(Cn1cccnc1=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737988853 598237368 /nfs/dbraw/zinc/23/73/68/598237368.db2.gz OMEIIOZBRAXVHT-UHFFFAOYSA-N -1 3 381.396 0.493 20 0 GCADHM O=C(Cn1cccnc1=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737988853 598237370 /nfs/dbraw/zinc/23/73/70/598237370.db2.gz OMEIIOZBRAXVHT-UHFFFAOYSA-N -1 3 381.396 0.493 20 0 GCADHM Cc1nnc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c(C(N)=O)c1C ZINC000737520812 598246757 /nfs/dbraw/zinc/24/67/57/598246757.db2.gz LPQHEXOPGXYCLZ-UHFFFAOYSA-N -1 3 380.416 0.094 20 0 GCADHM Cc1nnc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c(C(N)=O)c1C ZINC000737520812 598246758 /nfs/dbraw/zinc/24/67/58/598246758.db2.gz LPQHEXOPGXYCLZ-UHFFFAOYSA-N -1 3 380.416 0.094 20 0 GCADHM COC(=O)CNC(=O)[C@H](C)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736930624 598248857 /nfs/dbraw/zinc/24/88/57/598248857.db2.gz HLAYYYOSAIKTRH-LBPRGKRZSA-N -1 3 388.428 0.388 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737754084 598249918 /nfs/dbraw/zinc/24/99/18/598249918.db2.gz CNCZCKIWBKOBBO-PBHICJAKSA-N -1 3 380.408 0.523 20 0 GCADHM C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736200663 598252471 /nfs/dbraw/zinc/25/24/71/598252471.db2.gz AXPBQVHWIRLKQT-LBPRGKRZSA-N -1 3 395.475 0.583 20 0 GCADHM C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736200663 598252472 /nfs/dbraw/zinc/25/24/72/598252472.db2.gz AXPBQVHWIRLKQT-LBPRGKRZSA-N -1 3 395.475 0.583 20 0 GCADHM C[C@H](C(=O)NC(=O)NC1CC1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735525987 598252577 /nfs/dbraw/zinc/25/25/77/598252577.db2.gz RVSBYRJQBVZUSH-GFCCVEGCSA-N -1 3 384.444 0.365 20 0 GCADHM C[C@H](C(=O)NC(=O)NC1CC1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735525987 598252578 /nfs/dbraw/zinc/25/25/78/598252578.db2.gz RVSBYRJQBVZUSH-GFCCVEGCSA-N -1 3 384.444 0.365 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCSCC1 ZINC000736130419 598253579 /nfs/dbraw/zinc/25/35/79/598253579.db2.gz MOWBGDJOTXNIHI-SNVBAGLBSA-N -1 3 382.471 0.109 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCSCC1 ZINC000736130419 598253580 /nfs/dbraw/zinc/25/35/80/598253580.db2.gz MOWBGDJOTXNIHI-SNVBAGLBSA-N -1 3 382.471 0.109 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nnn[n-]2)CC1)NC(=O)NC1CCCC1 ZINC000737883670 598253722 /nfs/dbraw/zinc/25/37/22/598253722.db2.gz RFFRGGDEETZIEC-UHFFFAOYSA-N -1 3 398.471 0.757 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nn[n-]n2)CC1)NC(=O)NC1CCCC1 ZINC000737883670 598253724 /nfs/dbraw/zinc/25/37/24/598253724.db2.gz RFFRGGDEETZIEC-UHFFFAOYSA-N -1 3 398.471 0.757 20 0 GCADHM CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736868147 598255538 /nfs/dbraw/zinc/25/55/38/598255538.db2.gz PKKDTVGQYVJPGG-AWEZNQCLSA-N -1 3 386.460 0.029 20 0 GCADHM CN1CCO[C@@H](CNC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736868147 598255539 /nfs/dbraw/zinc/25/55/39/598255539.db2.gz PKKDTVGQYVJPGG-AWEZNQCLSA-N -1 3 386.460 0.029 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)CCO1 ZINC000736279958 598256203 /nfs/dbraw/zinc/25/62/03/598256203.db2.gz MBJBQVGQIXELCX-CYBMUJFWSA-N -1 3 389.435 0.375 20 0 GCADHM CCCNC(=O)NC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736483176 598256337 /nfs/dbraw/zinc/25/63/37/598256337.db2.gz GNMSHPZABUBSJN-UHFFFAOYSA-N -1 3 390.423 0.364 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)NCC(F)(F)F ZINC000737883370 598256871 /nfs/dbraw/zinc/25/68/71/598256871.db2.gz PVDGUZKNMXAYLM-UHFFFAOYSA-N -1 3 387.341 0.806 20 0 GCADHM CCOC(=O)CCN(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736591401 598258571 /nfs/dbraw/zinc/25/85/71/598258571.db2.gz CUHDAWFHRFVJCK-UHFFFAOYSA-N -1 3 384.400 0.660 20 0 GCADHM CCOC(=O)CCN(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736591401 598258573 /nfs/dbraw/zinc/25/85/73/598258573.db2.gz CUHDAWFHRFVJCK-UHFFFAOYSA-N -1 3 384.400 0.660 20 0 GCADHM O=C1[C@H](N2CCN(c3cccnn3)CC2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738289976 598258813 /nfs/dbraw/zinc/25/88/13/598258813.db2.gz LGNRGXHELUTLFA-MRXNPFEDSA-N -1 3 391.439 0.584 20 0 GCADHM O=C1[C@H](N2CCN(c3cccnn3)CC2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738289976 598258814 /nfs/dbraw/zinc/25/88/14/598258814.db2.gz LGNRGXHELUTLFA-MRXNPFEDSA-N -1 3 391.439 0.584 20 0 GCADHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000737488816 598259106 /nfs/dbraw/zinc/25/91/06/598259106.db2.gz XYXMQCKFKQOWLK-UHFFFAOYSA-N -1 3 382.388 0.110 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H](O)c2ccco2)cc1 ZINC000737778125 598259641 /nfs/dbraw/zinc/25/96/41/598259641.db2.gz WYEQFCRFTKRBHG-ZDUSSCGKSA-N -1 3 380.368 0.691 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H](O)c2ccco2)cc1 ZINC000737778125 598259642 /nfs/dbraw/zinc/25/96/42/598259642.db2.gz WYEQFCRFTKRBHG-ZDUSSCGKSA-N -1 3 380.368 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JHHAIVSXPURZMM-UHFFFAOYSA-N -1 3 397.487 0.720 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)cn1C ZINC000736879662 598272264 /nfs/dbraw/zinc/27/22/64/598272264.db2.gz YHPFQDAPIPAUDJ-UHFFFAOYSA-N -1 3 376.398 0.641 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)cn1C ZINC000736879662 598272265 /nfs/dbraw/zinc/27/22/65/598272265.db2.gz YHPFQDAPIPAUDJ-UHFFFAOYSA-N -1 3 376.398 0.641 20 0 GCADHM CNC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC000736871621 598273876 /nfs/dbraw/zinc/27/38/76/598273876.db2.gz SCFSQQIYMZAZIO-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM CNC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC000736871621 598273877 /nfs/dbraw/zinc/27/38/77/598273877.db2.gz SCFSQQIYMZAZIO-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM CCn1cnnc1CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736721194 598282472 /nfs/dbraw/zinc/28/24/72/598282472.db2.gz CEEDIJMRDGNJHW-UHFFFAOYSA-N -1 3 382.432 0.510 20 0 GCADHM CCn1cnnc1CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736721194 598282474 /nfs/dbraw/zinc/28/24/74/598282474.db2.gz CEEDIJMRDGNJHW-UHFFFAOYSA-N -1 3 382.432 0.510 20 0 GCADHM CN(C)C(=O)CCCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736744540 598283832 /nfs/dbraw/zinc/28/38/32/598283832.db2.gz ALIRRHXMIFFVFV-UHFFFAOYSA-N -1 3 386.460 0.567 20 0 GCADHM CN(C)C(=O)CCCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736744540 598283833 /nfs/dbraw/zinc/28/38/33/598283833.db2.gz ALIRRHXMIFFVFV-UHFFFAOYSA-N -1 3 386.460 0.567 20 0 GCADHM CN(C)Cc1nc(C(C)(C)NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000736772287 598286995 /nfs/dbraw/zinc/28/69/95/598286995.db2.gz YXWITWKXFMEONS-UHFFFAOYSA-N -1 3 385.432 0.775 20 0 GCADHM Cn1nnc2cc(C(=O)OCC(=O)NCc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000737626185 598288923 /nfs/dbraw/zinc/28/89/23/598288923.db2.gz GVNGFKQLBQKXRN-UHFFFAOYSA-N -1 3 392.379 0.622 20 0 GCADHM Cn1nnc2cc(C(=O)OCC(=O)NCc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000737626185 598288925 /nfs/dbraw/zinc/28/89/25/598288925.db2.gz GVNGFKQLBQKXRN-UHFFFAOYSA-N -1 3 392.379 0.622 20 0 GCADHM COC(=O)N(C)CCCC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736932853 598289129 /nfs/dbraw/zinc/28/91/29/598289129.db2.gz UNSVBNNCDLGOPM-UHFFFAOYSA-N -1 3 382.402 0.888 20 0 GCADHM COC(=O)N(C)CCCC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736932853 598289130 /nfs/dbraw/zinc/28/91/30/598289130.db2.gz UNSVBNNCDLGOPM-UHFFFAOYSA-N -1 3 382.402 0.888 20 0 GCADHM COC(=O)NC(C)(C)C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736936057 598289305 /nfs/dbraw/zinc/28/93/05/598289305.db2.gz NEPXVDKCTBQRJP-UHFFFAOYSA-N -1 3 376.373 0.161 20 0 GCADHM COC(=O)NC(C)(C)C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736936057 598289307 /nfs/dbraw/zinc/28/93/07/598289307.db2.gz NEPXVDKCTBQRJP-UHFFFAOYSA-N -1 3 376.373 0.161 20 0 GCADHM C[C@@H](Sc1nncn1C)C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000736194099 598291383 /nfs/dbraw/zinc/29/13/83/598291383.db2.gz YXJZJDISFPYXLR-SECBINFHSA-N -1 3 375.418 0.526 20 0 GCADHM C[C@@H](Sc1nncn1C)C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000736194099 598291384 /nfs/dbraw/zinc/29/13/84/598291384.db2.gz YXJZJDISFPYXLR-SECBINFHSA-N -1 3 375.418 0.526 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736292803 598291690 /nfs/dbraw/zinc/29/16/90/598291690.db2.gz MCZAILRZCITETP-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736292803 598291691 /nfs/dbraw/zinc/29/16/91/598291691.db2.gz MCZAILRZCITETP-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736751167 598292591 /nfs/dbraw/zinc/29/25/91/598292591.db2.gz JEMOPYVEYXDXJE-UHFFFAOYSA-N -1 3 383.416 0.815 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736751167 598292592 /nfs/dbraw/zinc/29/25/92/598292592.db2.gz JEMOPYVEYXDXJE-UHFFFAOYSA-N -1 3 383.416 0.815 20 0 GCADHM COCCCOc1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cn1 ZINC000736987620 598294517 /nfs/dbraw/zinc/29/45/17/598294517.db2.gz KEWBBLJRESHICB-UHFFFAOYSA-N -1 3 388.388 0.313 20 0 GCADHM COCCCOc1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cn1 ZINC000736987620 598294518 /nfs/dbraw/zinc/29/45/18/598294518.db2.gz KEWBBLJRESHICB-UHFFFAOYSA-N -1 3 388.388 0.313 20 0 GCADHM O=C(NCc1nnc2n1CCC2)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738123372 598294754 /nfs/dbraw/zinc/29/47/54/598294754.db2.gz OWJTUABXXCSDTI-UHFFFAOYSA-N -1 3 394.443 0.436 20 0 GCADHM O=C(NCc1nnc2n1CCC2)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738123372 598294756 /nfs/dbraw/zinc/29/47/56/598294756.db2.gz OWJTUABXXCSDTI-UHFFFAOYSA-N -1 3 394.443 0.436 20 0 GCADHM O=C(Cn1c(=O)onc1-c1cnccn1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737980961 598295027 /nfs/dbraw/zinc/29/50/27/598295027.db2.gz HBTLUEYKFCMXDO-UHFFFAOYSA-N -1 3 399.758 0.766 20 0 GCADHM O=C(Cn1c(=O)onc1-c1cnccn1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737980961 598295028 /nfs/dbraw/zinc/29/50/28/598295028.db2.gz HBTLUEYKFCMXDO-UHFFFAOYSA-N -1 3 399.758 0.766 20 0 GCADHM COc1cccc2c1OCC(C(=O)OCCn1ncc(-c3nnn[n-]3)c1N)=C2 ZINC000737143010 598295089 /nfs/dbraw/zinc/29/50/89/598295089.db2.gz OLAJTARFQSJRLW-UHFFFAOYSA-N -1 3 383.368 0.673 20 0 GCADHM COc1cccc2c1OCC(C(=O)OCCn1ncc(-c3nn[n-]n3)c1N)=C2 ZINC000737143010 598295091 /nfs/dbraw/zinc/29/50/91/598295091.db2.gz OLAJTARFQSJRLW-UHFFFAOYSA-N -1 3 383.368 0.673 20 0 GCADHM CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736431757 598295672 /nfs/dbraw/zinc/29/56/72/598295672.db2.gz RUIDYAVCYFUMFE-LLVKDONJSA-N -1 3 394.436 0.882 20 0 GCADHM CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736431757 598295673 /nfs/dbraw/zinc/29/56/73/598295673.db2.gz RUIDYAVCYFUMFE-LLVKDONJSA-N -1 3 394.436 0.882 20 0 GCADHM C[C@]1(c2ccc(CNC(=O)c3sccc3-c3nnn[n-]3)cc2)NC(=O)NC1=O ZINC000736224241 598297507 /nfs/dbraw/zinc/29/75/07/598297507.db2.gz RDEMTZHKKMDYFF-QGZVFWFLSA-N -1 3 397.420 0.913 20 0 GCADHM C[C@]1(c2ccc(CNC(=O)c3sccc3-c3nn[n-]n3)cc2)NC(=O)NC1=O ZINC000736224241 598297509 /nfs/dbraw/zinc/29/75/09/598297509.db2.gz RDEMTZHKKMDYFF-QGZVFWFLSA-N -1 3 397.420 0.913 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736658914 598300228 /nfs/dbraw/zinc/30/02/28/598300228.db2.gz MNJKBUBODSQAOL-ZDUSSCGKSA-N -1 3 396.448 0.684 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736658914 598300230 /nfs/dbraw/zinc/30/02/30/598300230.db2.gz MNJKBUBODSQAOL-ZDUSSCGKSA-N -1 3 396.448 0.684 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738343625 598300794 /nfs/dbraw/zinc/30/07/94/598300794.db2.gz SMYHNUHRJNWPDU-MNOVXSKESA-N -1 3 398.876 0.662 20 0 GCADHM CCN(CC)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736521257 598300971 /nfs/dbraw/zinc/30/09/71/598300971.db2.gz CUQQKRYWIUYKEU-GFCCVEGCSA-N -1 3 396.498 0.799 20 0 GCADHM CCN(CC)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736521257 598300972 /nfs/dbraw/zinc/30/09/72/598300972.db2.gz CUQQKRYWIUYKEU-GFCCVEGCSA-N -1 3 396.498 0.799 20 0 GCADHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737983484 598302032 /nfs/dbraw/zinc/30/20/32/598302032.db2.gz WMNKZNITAFMDFM-UHFFFAOYSA-N -1 3 395.354 0.738 20 0 GCADHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737983484 598302033 /nfs/dbraw/zinc/30/20/33/598302033.db2.gz WMNKZNITAFMDFM-UHFFFAOYSA-N -1 3 395.354 0.738 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000735459370 598302913 /nfs/dbraw/zinc/30/29/13/598302913.db2.gz YYROYNFAPSGQPA-UHFFFAOYSA-N -1 3 387.448 0.326 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000735459370 598302914 /nfs/dbraw/zinc/30/29/14/598302914.db2.gz YYROYNFAPSGQPA-UHFFFAOYSA-N -1 3 387.448 0.326 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736497450 598303473 /nfs/dbraw/zinc/30/34/73/598303473.db2.gz HMZVVXMJOHUGQB-AWEZNQCLSA-N -1 3 396.448 0.826 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736497450 598303474 /nfs/dbraw/zinc/30/34/74/598303474.db2.gz HMZVVXMJOHUGQB-AWEZNQCLSA-N -1 3 396.448 0.826 20 0 GCADHM Cc1noc([C@@H](C)NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000737532416 598304215 /nfs/dbraw/zinc/30/42/15/598304215.db2.gz AUZJQUIWELQVSA-SNVBAGLBSA-N -1 3 384.404 0.546 20 0 GCADHM Cc1noc([C@@H](C)NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000737532416 598304216 /nfs/dbraw/zinc/30/42/16/598304216.db2.gz AUZJQUIWELQVSA-SNVBAGLBSA-N -1 3 384.404 0.546 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735684930 598304848 /nfs/dbraw/zinc/30/48/48/598304848.db2.gz LMIRHYCMUBAGKC-AWEZNQCLSA-N -1 3 385.428 0.568 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735684930 598304850 /nfs/dbraw/zinc/30/48/50/598304850.db2.gz LMIRHYCMUBAGKC-AWEZNQCLSA-N -1 3 385.428 0.568 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000738303829 598308705 /nfs/dbraw/zinc/30/87/05/598308705.db2.gz IFPQRRYXUKIOSD-OAHLLOKOSA-N -1 3 392.423 0.342 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000738303829 598308707 /nfs/dbraw/zinc/30/87/07/598308707.db2.gz IFPQRRYXUKIOSD-OAHLLOKOSA-N -1 3 392.423 0.342 20 0 GCADHM COC(=O)CSCCNC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000736930826 598310402 /nfs/dbraw/zinc/31/04/02/598310402.db2.gz LWNDROORANKFOP-UHFFFAOYSA-N -1 3 381.414 0.277 20 0 GCADHM COC(=O)CSCCNC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000736930826 598310404 /nfs/dbraw/zinc/31/04/04/598310404.db2.gz LWNDROORANKFOP-UHFFFAOYSA-N -1 3 381.414 0.277 20 0 GCADHM CNC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736878726 598311558 /nfs/dbraw/zinc/31/15/58/598311558.db2.gz XVESZMHMJMZSIZ-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM CNC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736878726 598311559 /nfs/dbraw/zinc/31/15/59/598311559.db2.gz XVESZMHMJMZSIZ-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM NS(=O)(=O)c1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737770349 598316577 /nfs/dbraw/zinc/31/65/77/598316577.db2.gz UKOIRFHECGIOIV-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737770349 598316578 /nfs/dbraw/zinc/31/65/78/598316578.db2.gz UKOIRFHECGIOIV-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM CS(=O)(=O)NCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737168210 598319006 /nfs/dbraw/zinc/31/90/06/598319006.db2.gz GHFZKYPPVAJBPA-UHFFFAOYSA-N -1 3 375.867 0.356 20 0 GCADHM CS(=O)(=O)NCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737168210 598319008 /nfs/dbraw/zinc/31/90/08/598319008.db2.gz GHFZKYPPVAJBPA-UHFFFAOYSA-N -1 3 375.867 0.356 20 0 GCADHM CCN(CCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC000736538697 598319218 /nfs/dbraw/zinc/31/92/18/598319218.db2.gz ZYPKGNWSOBWHGJ-UHFFFAOYSA-N -1 3 399.452 0.477 20 0 GCADHM CCN(CCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC000736538697 598319219 /nfs/dbraw/zinc/31/92/19/598319219.db2.gz ZYPKGNWSOBWHGJ-UHFFFAOYSA-N -1 3 399.452 0.477 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)nc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738100954 598319883 /nfs/dbraw/zinc/31/98/83/598319883.db2.gz BPRXUUYKMMIZJH-UHFFFAOYSA-N -1 3 394.374 0.981 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)nc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738100954 598319885 /nfs/dbraw/zinc/31/98/85/598319885.db2.gz BPRXUUYKMMIZJH-UHFFFAOYSA-N -1 3 394.374 0.981 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737765843 598322925 /nfs/dbraw/zinc/32/29/25/598322925.db2.gz QCCVLACQYURDEF-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737765843 598322927 /nfs/dbraw/zinc/32/29/27/598322927.db2.gz QCCVLACQYURDEF-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NC(=O)c1ccc(NC(=S)NCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000737758766 598323230 /nfs/dbraw/zinc/32/32/30/598323230.db2.gz DRIBCAUUKFAYHM-UHFFFAOYSA-N -1 3 383.441 0.759 20 0 GCADHM NC(=O)c1ccc(NC(=S)NCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000737758766 598323232 /nfs/dbraw/zinc/32/32/32/598323232.db2.gz DRIBCAUUKFAYHM-UHFFFAOYSA-N -1 3 383.441 0.759 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000736751094 598324140 /nfs/dbraw/zinc/32/41/40/598324140.db2.gz HUFIARZDAWVAJR-UHFFFAOYSA-N -1 3 387.379 0.612 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000736751094 598324141 /nfs/dbraw/zinc/32/41/41/598324141.db2.gz HUFIARZDAWVAJR-UHFFFAOYSA-N -1 3 387.379 0.612 20 0 GCADHM CC1(C)CN(CCNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000736213172 598326439 /nfs/dbraw/zinc/32/64/39/598326439.db2.gz JJWLIVUBEABWCC-UHFFFAOYSA-N -1 3 377.424 0.916 20 0 GCADHM CC1(C)CN(CCNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000736213172 598326441 /nfs/dbraw/zinc/32/64/41/598326441.db2.gz JJWLIVUBEABWCC-UHFFFAOYSA-N -1 3 377.424 0.916 20 0 GCADHM C[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)[C@H](C)N1CCOCC1 ZINC000736119269 598326653 /nfs/dbraw/zinc/32/66/53/598326653.db2.gz RWPNRBWTAVXFHX-RYUDHWBXSA-N -1 3 377.424 0.914 20 0 GCADHM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)[C@H](C)N1CCOCC1 ZINC000736119269 598326655 /nfs/dbraw/zinc/32/66/55/598326655.db2.gz RWPNRBWTAVXFHX-RYUDHWBXSA-N -1 3 377.424 0.914 20 0 GCADHM C[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735548273 598326731 /nfs/dbraw/zinc/32/67/31/598326731.db2.gz ZXTHPLIQLLSMOT-NSHDSACASA-N -1 3 383.412 0.736 20 0 GCADHM C[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735548273 598326733 /nfs/dbraw/zinc/32/67/33/598326733.db2.gz ZXTHPLIQLLSMOT-NSHDSACASA-N -1 3 383.412 0.736 20 0 GCADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735467253 598330955 /nfs/dbraw/zinc/33/09/55/598330955.db2.gz KXHARJWGQDIABL-INIZCTEOSA-N -1 3 392.423 0.768 20 0 GCADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735467253 598330957 /nfs/dbraw/zinc/33/09/57/598330957.db2.gz KXHARJWGQDIABL-INIZCTEOSA-N -1 3 392.423 0.768 20 0 GCADHM C[C@@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112559 598332525 /nfs/dbraw/zinc/33/25/25/598332525.db2.gz JFEPOYMRUFTDAF-CYBMUJFWSA-N -1 3 386.460 0.343 20 0 GCADHM C[C@@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112559 598332527 /nfs/dbraw/zinc/33/25/27/598332527.db2.gz JFEPOYMRUFTDAF-CYBMUJFWSA-N -1 3 386.460 0.343 20 0 GCADHM COC(=O)[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C1 ZINC000736912257 598335326 /nfs/dbraw/zinc/33/53/26/598335326.db2.gz NHSVLSCUNOMPIZ-CYBMUJFWSA-N -1 3 399.411 0.083 20 0 GCADHM COC(=O)[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000736912257 598335328 /nfs/dbraw/zinc/33/53/28/598335328.db2.gz NHSVLSCUNOMPIZ-CYBMUJFWSA-N -1 3 399.411 0.083 20 0 GCADHM Cc1ccncc1COC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000822379472 607351400 /nfs/dbraw/zinc/35/14/00/607351400.db2.gz OMFXSCJEYPGJIA-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM Cc1ccncc1COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000822379472 607351402 /nfs/dbraw/zinc/35/14/02/607351402.db2.gz OMFXSCJEYPGJIA-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCCN(c2cccnn2)CC1 ZINC000737924422 598342211 /nfs/dbraw/zinc/34/22/11/598342211.db2.gz FEEXLEJXGKFACL-UHFFFAOYSA-N -1 3 380.412 0.774 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCCN(c2cccnn2)CC1 ZINC000737924422 598342213 /nfs/dbraw/zinc/34/22/13/598342213.db2.gz FEEXLEJXGKFACL-UHFFFAOYSA-N -1 3 380.412 0.774 20 0 GCADHM O=C(CN1CCCN(c2cccnn2)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737871830 598342336 /nfs/dbraw/zinc/34/23/36/598342336.db2.gz BNABZIRDSCSMTG-UHFFFAOYSA-N -1 3 379.428 0.808 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737553421 598344841 /nfs/dbraw/zinc/34/48/41/598344841.db2.gz VQUOOHWMLVGLFG-WDEREUQCSA-N -1 3 377.449 0.402 20 0 GCADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736290077 598345012 /nfs/dbraw/zinc/34/50/12/598345012.db2.gz ZQFSOMPFNIIFTL-QWHCGFSZSA-N -1 3 391.501 0.405 20 0 GCADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736290077 598345014 /nfs/dbraw/zinc/34/50/14/598345014.db2.gz ZQFSOMPFNIIFTL-QWHCGFSZSA-N -1 3 391.501 0.405 20 0 GCADHM COC(=O)c1ccncc1C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821670977 607352295 /nfs/dbraw/zinc/35/22/95/607352295.db2.gz AIDFUZGZGLYBSG-UHFFFAOYSA-N -1 3 396.363 0.522 20 0 GCADHM COC(=O)c1ccncc1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821670977 607352296 /nfs/dbraw/zinc/35/22/96/607352296.db2.gz AIDFUZGZGLYBSG-UHFFFAOYSA-N -1 3 396.363 0.522 20 0 GCADHM CC(C)c1nnc2n1CCN(C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000735952652 598350756 /nfs/dbraw/zinc/35/07/56/598350756.db2.gz JSFUUNQTMNRIEA-CQSZACIVSA-N -1 3 384.444 0.837 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000735563251 598352321 /nfs/dbraw/zinc/35/23/21/598352321.db2.gz SBEOIQUNIMNIPH-IUODEOHRSA-N -1 3 383.416 0.186 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000735563251 598352323 /nfs/dbraw/zinc/35/23/23/598352323.db2.gz SBEOIQUNIMNIPH-IUODEOHRSA-N -1 3 383.416 0.186 20 0 GCADHM Cc1cnn(C[C@H]2CN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737445296 598352999 /nfs/dbraw/zinc/35/29/99/598352999.db2.gz RWLGWYDWRNNQAO-MRXNPFEDSA-N -1 3 382.428 0.711 20 0 GCADHM Cc1cnn(C[C@H]2CN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737445296 598353001 /nfs/dbraw/zinc/35/30/01/598353001.db2.gz RWLGWYDWRNNQAO-MRXNPFEDSA-N -1 3 382.428 0.711 20 0 GCADHM O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737880847 598353652 /nfs/dbraw/zinc/35/36/52/598353652.db2.gz CRTRXWVWCOUYTL-MRXNPFEDSA-N -1 3 382.428 0.080 20 0 GCADHM O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737880847 598353655 /nfs/dbraw/zinc/35/36/55/598353655.db2.gz CRTRXWVWCOUYTL-MRXNPFEDSA-N -1 3 382.428 0.080 20 0 GCADHM Cc1oc(NC(=O)CN2CCO[C@H](Cn3cncn3)C2)c(-c2nnn[n-]2)c1C ZINC000737552335 598353786 /nfs/dbraw/zinc/35/37/86/598353786.db2.gz NIVAXYJDIVWNRV-LBPRGKRZSA-N -1 3 387.404 0.008 20 0 GCADHM O=C(CCN1CCO[C@H](Cn2cncn2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737843584 598353794 /nfs/dbraw/zinc/35/37/94/598353794.db2.gz KUHWBMNUCARZIF-NSHDSACASA-N -1 3 389.445 0.249 20 0 GCADHM O=C(CCN1CCO[C@H](Cn2cncn2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737843584 598353796 /nfs/dbraw/zinc/35/37/96/598353796.db2.gz KUHWBMNUCARZIF-NSHDSACASA-N -1 3 389.445 0.249 20 0 GCADHM Cc1noc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000737533843 598363276 /nfs/dbraw/zinc/36/32/76/598363276.db2.gz GBIDRONWTIWBJJ-GFCCVEGCSA-N -1 3 382.384 0.903 20 0 GCADHM Cc1noc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737533843 598363279 /nfs/dbraw/zinc/36/32/79/598363279.db2.gz GBIDRONWTIWBJJ-GFCCVEGCSA-N -1 3 382.384 0.903 20 0 GCADHM O=C1[C@@H](N2CCC[C@H](n3cncn3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738291087 598368694 /nfs/dbraw/zinc/36/86/94/598368694.db2.gz SBFOGNYFPMPNOG-HOTGVXAUSA-N -1 3 379.428 0.901 20 0 GCADHM CC(=O)NC(C)(C)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735475315 598370169 /nfs/dbraw/zinc/37/01/69/598370169.db2.gz OAAQQGYTIKXRLF-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM CC(=O)NC(C)(C)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735475315 598370170 /nfs/dbraw/zinc/37/01/70/598370170.db2.gz OAAQQGYTIKXRLF-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM O=C(COC(=O)C1CC(=O)NC(=O)C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000738299625 598371903 /nfs/dbraw/zinc/37/19/03/598371903.db2.gz AKHBXPSIZQODOO-UHFFFAOYSA-N -1 3 392.759 0.055 20 0 GCADHM O=C(COC(=O)C1CC(=O)NC(=O)C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000738299625 598371904 /nfs/dbraw/zinc/37/19/04/598371904.db2.gz AKHBXPSIZQODOO-UHFFFAOYSA-N -1 3 392.759 0.055 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000736821695 598372404 /nfs/dbraw/zinc/37/24/04/598372404.db2.gz ZKHLUPNUHVWGTO-UHFFFAOYSA-N -1 3 397.370 0.702 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000736821695 598372407 /nfs/dbraw/zinc/37/24/07/598372407.db2.gz ZKHLUPNUHVWGTO-UHFFFAOYSA-N -1 3 397.370 0.702 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000737064232 598372689 /nfs/dbraw/zinc/37/26/89/598372689.db2.gz WPDWOYHWBISIQS-UHFFFAOYSA-N -1 3 397.443 0.959 20 0 GCADHM O=C1[C@@H](N2CCn3c(nnc3C3CC3)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738291495 598376037 /nfs/dbraw/zinc/37/60/37/598376037.db2.gz UXGOQAIHIYLXHQ-HNNXBMFYSA-N -1 3 391.439 0.957 20 0 GCADHM O=C1[C@@H](N2CCn3c(nnc3C3CC3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738291495 598376039 /nfs/dbraw/zinc/37/60/39/598376039.db2.gz UXGOQAIHIYLXHQ-HNNXBMFYSA-N -1 3 391.439 0.957 20 0 GCADHM Nc1nc(SC[C@H](O)CO)c(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1 ZINC000737776050 598376150 /nfs/dbraw/zinc/37/61/50/598376150.db2.gz HASLGTIZEDMHEK-SNVBAGLBSA-N -1 3 387.425 0.542 20 0 GCADHM Nc1nc(SC[C@H](O)CO)c(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1 ZINC000737776050 598376152 /nfs/dbraw/zinc/37/61/52/598376152.db2.gz HASLGTIZEDMHEK-SNVBAGLBSA-N -1 3 387.425 0.542 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736609199 598376853 /nfs/dbraw/zinc/37/68/53/598376853.db2.gz OZANJYYMUAFTJZ-KRWDZBQOSA-N -1 3 388.472 0.341 20 0 GCADHM COc1ccc(N2C[C@@H](C(=O)Nc3ccncc3-c3nnn[n-]3)CC2=O)cc1 ZINC000737100235 598380582 /nfs/dbraw/zinc/38/05/82/598380582.db2.gz SZINEXDXUKPTKU-NSHDSACASA-N -1 3 379.380 0.684 20 0 GCADHM COc1ccc(N2C[C@@H](C(=O)Nc3ccncc3-c3nn[n-]n3)CC2=O)cc1 ZINC000737100235 598380584 /nfs/dbraw/zinc/38/05/84/598380584.db2.gz SZINEXDXUKPTKU-NSHDSACASA-N -1 3 379.380 0.684 20 0 GCADHM CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccncc2-c2nnn[n-]2)c1 ZINC000735892223 598381195 /nfs/dbraw/zinc/38/11/95/598381195.db2.gz DCLSIJOJTTYCKF-UHFFFAOYSA-N -1 3 387.425 0.623 20 0 GCADHM CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccncc2-c2nn[n-]n2)c1 ZINC000735892223 598381197 /nfs/dbraw/zinc/38/11/97/598381197.db2.gz DCLSIJOJTTYCKF-UHFFFAOYSA-N -1 3 387.425 0.623 20 0 GCADHM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccncc1-c1nnn[n-]1)C2=O ZINC000736262949 598381569 /nfs/dbraw/zinc/38/15/69/598381569.db2.gz OHDZUTLVMQGYJP-DYZYQPBXSA-N -1 3 384.400 0.123 20 0 GCADHM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccncc1-c1nn[n-]n1)C2=O ZINC000736262949 598381570 /nfs/dbraw/zinc/38/15/70/598381570.db2.gz OHDZUTLVMQGYJP-DYZYQPBXSA-N -1 3 384.400 0.123 20 0 GCADHM Cc1ccc(CN2C[C@H](C(=O)Nc3ccncc3-c3nnn[n-]3)CC2=O)cc1 ZINC000737343277 598382142 /nfs/dbraw/zinc/38/21/42/598382142.db2.gz YNLLIGDTBMWKPP-CQSZACIVSA-N -1 3 377.408 0.979 20 0 GCADHM Cc1ccc(CN2C[C@H](C(=O)Nc3ccncc3-c3nn[n-]n3)CC2=O)cc1 ZINC000737343277 598382144 /nfs/dbraw/zinc/38/21/44/598382144.db2.gz YNLLIGDTBMWKPP-CQSZACIVSA-N -1 3 377.408 0.979 20 0 GCADHM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737169141 598383357 /nfs/dbraw/zinc/38/33/57/598383357.db2.gz OCNJVYBTHDIWNM-CQSZACIVSA-N -1 3 393.473 0.209 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000738301188 598384883 /nfs/dbraw/zinc/38/48/83/598384883.db2.gz LZZSSXIUWWDWBW-ZDUSSCGKSA-N -1 3 386.437 0.506 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000738301188 598384884 /nfs/dbraw/zinc/38/48/84/598384884.db2.gz LZZSSXIUWWDWBW-ZDUSSCGKSA-N -1 3 386.437 0.506 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000735537073 598387540 /nfs/dbraw/zinc/38/75/40/598387540.db2.gz IMVIUUBTYJUAKG-SNVBAGLBSA-N -1 3 376.852 0.704 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000735537073 598387542 /nfs/dbraw/zinc/38/75/42/598387542.db2.gz IMVIUUBTYJUAKG-SNVBAGLBSA-N -1 3 376.852 0.704 20 0 GCADHM CN1CCN(C(=O)C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)CC1 ZINC000736856654 598389795 /nfs/dbraw/zinc/38/97/95/598389795.db2.gz LSPVCMCUFVFMCW-UHFFFAOYSA-N -1 3 390.879 0.906 20 0 GCADHM CN1CCN(C(=O)C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)CC1 ZINC000736856654 598389797 /nfs/dbraw/zinc/38/97/97/598389797.db2.gz LSPVCMCUFVFMCW-UHFFFAOYSA-N -1 3 390.879 0.906 20 0 GCADHM O=S(=O)(c1cncc(F)c1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738357763 598397902 /nfs/dbraw/zinc/39/79/02/598397902.db2.gz RTVIYXRLPNRRGO-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1cncc(F)c1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738357763 598397904 /nfs/dbraw/zinc/39/79/04/598397904.db2.gz RTVIYXRLPNRRGO-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM CN(C)[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000736760889 598398301 /nfs/dbraw/zinc/39/83/01/598398301.db2.gz RHYUVKZLASZVBM-AWEZNQCLSA-N -1 3 383.412 0.609 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H]1COc2ccccc2O1 ZINC000737889223 598398954 /nfs/dbraw/zinc/39/89/54/598398954.db2.gz KXTGLVYBJPUQIR-AWEZNQCLSA-N -1 3 394.391 0.553 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H]1COc2ccccc2O1 ZINC000737889223 598398956 /nfs/dbraw/zinc/39/89/56/598398956.db2.gz KXTGLVYBJPUQIR-AWEZNQCLSA-N -1 3 394.391 0.553 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NC(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737500810 598400452 /nfs/dbraw/zinc/40/04/52/598400452.db2.gz QFNJZEDHKCDPLD-HNNXBMFYSA-N -1 3 392.423 0.369 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NC(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737500810 598400453 /nfs/dbraw/zinc/40/04/53/598400453.db2.gz QFNJZEDHKCDPLD-HNNXBMFYSA-N -1 3 392.423 0.369 20 0 GCADHM CC(C)C(=O)N1CCC(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735683678 598401001 /nfs/dbraw/zinc/40/10/01/598401001.db2.gz CMLYDWHCOSRBSN-UHFFFAOYSA-N -1 3 399.455 0.360 20 0 GCADHM CC(C)C(=O)N1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735683678 598401002 /nfs/dbraw/zinc/40/10/02/598401002.db2.gz CMLYDWHCOSRBSN-UHFFFAOYSA-N -1 3 399.455 0.360 20 0 GCADHM CNC(=O)c1ccc(C)c(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736878717 598401561 /nfs/dbraw/zinc/40/15/61/598401561.db2.gz XLUMXABLURVRLL-UHFFFAOYSA-N -1 3 393.407 0.903 20 0 GCADHM CNC(=O)c1ccc(C)c(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736878717 598401562 /nfs/dbraw/zinc/40/15/62/598401562.db2.gz XLUMXABLURVRLL-UHFFFAOYSA-N -1 3 393.407 0.903 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1nc2ccccc2[nH]1 ZINC000737889610 598402039 /nfs/dbraw/zinc/40/20/39/598402039.db2.gz NAXHMEXKCDELGK-UHFFFAOYSA-N -1 3 390.407 0.832 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1nc2ccccc2[nH]1 ZINC000737889610 598402041 /nfs/dbraw/zinc/40/20/41/598402041.db2.gz NAXHMEXKCDELGK-UHFFFAOYSA-N -1 3 390.407 0.832 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1Cc2ccccc2O1 ZINC000737888370 598402146 /nfs/dbraw/zinc/40/21/46/598402146.db2.gz BEAYQKARBPTKRK-HNNXBMFYSA-N -1 3 378.392 0.716 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1Cc2ccccc2O1 ZINC000737888370 598402147 /nfs/dbraw/zinc/40/21/47/598402147.db2.gz BEAYQKARBPTKRK-HNNXBMFYSA-N -1 3 378.392 0.716 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCc2ccc(O)cc2C1 ZINC000738037686 598402179 /nfs/dbraw/zinc/40/21/79/598402179.db2.gz HFUBFDCCDYWCNC-UHFFFAOYSA-N -1 3 378.392 0.887 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCc2ccc(O)cc2C1 ZINC000738037686 598402180 /nfs/dbraw/zinc/40/21/80/598402180.db2.gz HFUBFDCCDYWCNC-UHFFFAOYSA-N -1 3 378.392 0.887 20 0 GCADHM Cc1nc(SCC(=O)N2CCNC(=O)[C@H]2C)c(-c2nnn[n-]2)c(C)c1C ZINC000737484437 598402272 /nfs/dbraw/zinc/40/22/72/598402272.db2.gz TUFDVDPBZHBPSZ-LLVKDONJSA-N -1 3 375.458 0.626 20 0 GCADHM Cc1nc(SCC(=O)N2CCNC(=O)[C@H]2C)c(-c2nn[n-]n2)c(C)c1C ZINC000737484437 598402275 /nfs/dbraw/zinc/40/22/75/598402275.db2.gz TUFDVDPBZHBPSZ-LLVKDONJSA-N -1 3 375.458 0.626 20 0 GCADHM CCN(CC)C(=O)CCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736521321 598402588 /nfs/dbraw/zinc/40/25/88/598402588.db2.gz FFNTYKHEMBQTAA-UHFFFAOYSA-N -1 3 387.444 0.361 20 0 GCADHM CCN(CC)C(=O)CCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736521321 598402590 /nfs/dbraw/zinc/40/25/90/598402590.db2.gz FFNTYKHEMBQTAA-UHFFFAOYSA-N -1 3 387.444 0.361 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000737890213 598403787 /nfs/dbraw/zinc/40/37/87/598403787.db2.gz VZMQVWCKAHNKLT-OAHLLOKOSA-N -1 3 396.411 0.611 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000737890213 598403788 /nfs/dbraw/zinc/40/37/88/598403788.db2.gz VZMQVWCKAHNKLT-OAHLLOKOSA-N -1 3 396.411 0.611 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC(=O)Nc1ccccc1 ZINC000737890619 598403949 /nfs/dbraw/zinc/40/39/49/598403949.db2.gz WMJSSPYTQSIDBC-UHFFFAOYSA-N -1 3 379.380 0.351 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC(=O)Nc1ccccc1 ZINC000737890619 598403950 /nfs/dbraw/zinc/40/39/50/598403950.db2.gz WMJSSPYTQSIDBC-UHFFFAOYSA-N -1 3 379.380 0.351 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)n2ncc(-c3nnn[n-]3)c2N)c1 ZINC000736770276 598404679 /nfs/dbraw/zinc/40/46/79/598404679.db2.gz HVGMDBPBEBHPEL-UHFFFAOYSA-N -1 3 396.820 0.238 20 0 GCADHM Cc1ccc2nc(CNC(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)cn2c1 ZINC000737374671 598405444 /nfs/dbraw/zinc/40/54/44/598405444.db2.gz RLTPLKBLBCTFSJ-UHFFFAOYSA-N -1 3 390.407 0.869 20 0 GCADHM Cc1ccc2nc(CNC(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)cn2c1 ZINC000737374671 598405447 /nfs/dbraw/zinc/40/54/47/598405447.db2.gz RLTPLKBLBCTFSJ-UHFFFAOYSA-N -1 3 390.407 0.869 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC(=O)NC1CCCCC1 ZINC000737890206 598407160 /nfs/dbraw/zinc/40/71/60/598407160.db2.gz VYOVPUIPLQPBRT-UHFFFAOYSA-N -1 3 385.428 0.162 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC(=O)NC1CCCCC1 ZINC000737890206 598407163 /nfs/dbraw/zinc/40/71/63/598407163.db2.gz VYOVPUIPLQPBRT-UHFFFAOYSA-N -1 3 385.428 0.162 20 0 GCADHM Nc1ncnc2c1ncn2CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737775930 598409209 /nfs/dbraw/zinc/40/92/09/598409209.db2.gz DRJCKMUWOFOFCH-UHFFFAOYSA-N -1 3 390.411 0.780 20 0 GCADHM Nc1ncnc2c1ncn2CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737775930 598409211 /nfs/dbraw/zinc/40/92/11/598409211.db2.gz DRJCKMUWOFOFCH-UHFFFAOYSA-N -1 3 390.411 0.780 20 0 GCADHM CCC(CC)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736346400 598409457 /nfs/dbraw/zinc/40/94/57/598409457.db2.gz ZYSDHJVXKICYMH-LLVKDONJSA-N -1 3 388.428 0.833 20 0 GCADHM CCC(CC)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736346400 598409458 /nfs/dbraw/zinc/40/94/58/598409458.db2.gz ZYSDHJVXKICYMH-LLVKDONJSA-N -1 3 388.428 0.833 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000735466687 598409492 /nfs/dbraw/zinc/40/94/92/598409492.db2.gz HTLKBPNRVBVPQZ-TVQRCGJNSA-N -1 3 390.425 0.658 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000735466687 598409494 /nfs/dbraw/zinc/40/94/94/598409494.db2.gz HTLKBPNRVBVPQZ-TVQRCGJNSA-N -1 3 390.425 0.658 20 0 GCADHM C[C@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736269483 598409600 /nfs/dbraw/zinc/40/96/00/598409600.db2.gz XBQMHBZOBDYBMJ-LBPRGKRZSA-N -1 3 386.412 0.541 20 0 GCADHM C[C@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736269483 598409602 /nfs/dbraw/zinc/40/96/02/598409602.db2.gz XBQMHBZOBDYBMJ-LBPRGKRZSA-N -1 3 386.412 0.541 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1nc(-c2ccco2)no1 ZINC000737892051 598411663 /nfs/dbraw/zinc/41/16/63/598411663.db2.gz SBJRXSQIANPNQH-UHFFFAOYSA-N -1 3 395.335 0.983 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1nc(-c2ccco2)no1 ZINC000737892051 598411665 /nfs/dbraw/zinc/41/16/65/598411665.db2.gz SBJRXSQIANPNQH-UHFFFAOYSA-N -1 3 395.335 0.983 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)on1 ZINC000737272203 598411668 /nfs/dbraw/zinc/41/16/68/598411668.db2.gz QHEOSWYEPIAIRZ-SNVBAGLBSA-N -1 3 399.367 0.463 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)on1 ZINC000737272203 598411671 /nfs/dbraw/zinc/41/16/71/598411671.db2.gz QHEOSWYEPIAIRZ-SNVBAGLBSA-N -1 3 399.367 0.463 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC1CCCCC1 ZINC000737904709 598412091 /nfs/dbraw/zinc/41/20/91/598412091.db2.gz HHOCFIMXAACVMY-UHFFFAOYSA-N -1 3 386.412 0.589 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC1CCCCC1 ZINC000737904709 598412092 /nfs/dbraw/zinc/41/20/92/598412092.db2.gz HHOCFIMXAACVMY-UHFFFAOYSA-N -1 3 386.412 0.589 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cccc(F)c1 ZINC000737904672 598412251 /nfs/dbraw/zinc/41/22/51/598412251.db2.gz GMIXYJPLYWPMFE-UHFFFAOYSA-N -1 3 398.354 0.918 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cccc(F)c1 ZINC000737904672 598412253 /nfs/dbraw/zinc/41/22/53/598412253.db2.gz GMIXYJPLYWPMFE-UHFFFAOYSA-N -1 3 398.354 0.918 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccco1 ZINC000737904362 598412441 /nfs/dbraw/zinc/41/24/41/598412441.db2.gz CADMERRCYFPWTO-UHFFFAOYSA-N -1 3 384.352 0.049 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccco1 ZINC000737904362 598412443 /nfs/dbraw/zinc/41/24/43/598412443.db2.gz CADMERRCYFPWTO-UHFFFAOYSA-N -1 3 384.352 0.049 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736911504 598413627 /nfs/dbraw/zinc/41/36/27/598413627.db2.gz VVUQBAZOSMWXCU-UHFFFAOYSA-N -1 3 390.375 0.792 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736911504 598413629 /nfs/dbraw/zinc/41/36/29/598413629.db2.gz VVUQBAZOSMWXCU-UHFFFAOYSA-N -1 3 390.375 0.792 20 0 GCADHM CC(C)CN(C(=S)NCCNS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735827022 598416189 /nfs/dbraw/zinc/41/61/89/598416189.db2.gz AMMATUPXFSZOIL-UHFFFAOYSA-N -1 3 397.530 0.753 20 0 GCADHM CC(C)CN(C(=S)NCCNS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827022 598416190 /nfs/dbraw/zinc/41/61/90/598416190.db2.gz AMMATUPXFSZOIL-UHFFFAOYSA-N -1 3 397.530 0.753 20 0 GCADHM CN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736798573 598419881 /nfs/dbraw/zinc/41/98/81/598419881.db2.gz ABFJFEZARYKZOR-UHFFFAOYSA-N -1 3 393.835 0.249 20 0 GCADHM CN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736798573 598419882 /nfs/dbraw/zinc/41/98/82/598419882.db2.gz ABFJFEZARYKZOR-UHFFFAOYSA-N -1 3 393.835 0.249 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000737765862 598420090 /nfs/dbraw/zinc/42/00/90/598420090.db2.gz QGNVKYGVEICWEY-UHFFFAOYSA-N -1 3 378.439 0.647 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000737765862 598420092 /nfs/dbraw/zinc/42/00/92/598420092.db2.gz QGNVKYGVEICWEY-UHFFFAOYSA-N -1 3 378.439 0.647 20 0 GCADHM Cc1oc(NC(=O)CN2CCC[C@H](CCC(N)=O)C2)c(-c2nnn[n-]2)c1C ZINC000737551486 598422496 /nfs/dbraw/zinc/42/24/96/598422496.db2.gz HRKUTUHMGQCBLZ-GFCCVEGCSA-N -1 3 375.433 0.993 20 0 GCADHM Cc1oc(NC(=O)CN2CCC[C@H](CCC(N)=O)C2)c(-c2nn[n-]n2)c1C ZINC000737551486 598422497 /nfs/dbraw/zinc/42/24/97/598422497.db2.gz HRKUTUHMGQCBLZ-GFCCVEGCSA-N -1 3 375.433 0.993 20 0 GCADHM Cc1nn(C)c(C)c1CN1CCN(c2nnc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000737522674 598422641 /nfs/dbraw/zinc/42/26/41/598422641.db2.gz WOHIBATXNIACNI-UHFFFAOYSA-N -1 3 382.476 0.946 20 0 GCADHM Cc1nn(C)c(C)c1CN1CCN(c2nnc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000737522674 598422643 /nfs/dbraw/zinc/42/26/43/598422643.db2.gz WOHIBATXNIACNI-UHFFFAOYSA-N -1 3 382.476 0.946 20 0 GCADHM O=C(Cn1ncc2ccccc21)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737984291 598424628 /nfs/dbraw/zinc/42/46/28/598424628.db2.gz BVOYVSKKSPOVHN-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM O=C(Cn1ncc2ccccc21)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737984291 598424630 /nfs/dbraw/zinc/42/46/30/598424630.db2.gz BVOYVSKKSPOVHN-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737616542 598424925 /nfs/dbraw/zinc/42/49/25/598424925.db2.gz SWDZTPSROPDKEZ-UHFFFAOYSA-N -1 3 396.455 0.714 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737616542 598424926 /nfs/dbraw/zinc/42/49/26/598424926.db2.gz SWDZTPSROPDKEZ-UHFFFAOYSA-N -1 3 396.455 0.714 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1C ZINC000737481875 598425036 /nfs/dbraw/zinc/42/50/36/598425036.db2.gz FRBPMIGUBZCFJA-UHFFFAOYSA-N -1 3 388.457 0.420 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1C ZINC000737481875 598425038 /nfs/dbraw/zinc/42/50/38/598425038.db2.gz FRBPMIGUBZCFJA-UHFFFAOYSA-N -1 3 388.457 0.420 20 0 GCADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCNS(C)(=O)=O ZINC000735874049 598427316 /nfs/dbraw/zinc/42/73/16/598427316.db2.gz HADAQEGKANPZQF-UHFFFAOYSA-N -1 3 381.462 0.336 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCNS(C)(=O)=O ZINC000735874049 598427318 /nfs/dbraw/zinc/42/73/18/598427318.db2.gz HADAQEGKANPZQF-UHFFFAOYSA-N -1 3 381.462 0.336 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000737289085 598431558 /nfs/dbraw/zinc/43/15/58/598431558.db2.gz OMPBECHGXVQQFT-LBPRGKRZSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000737289085 598431560 /nfs/dbraw/zinc/43/15/60/598431560.db2.gz OMPBECHGXVQQFT-LBPRGKRZSA-N -1 3 385.428 0.618 20 0 GCADHM O=C(CN1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)NC[C@H]1CCCO1 ZINC000737873277 598431976 /nfs/dbraw/zinc/43/19/76/598431976.db2.gz MRMQLZBSKDLOIE-QGZVFWFLSA-N -1 3 385.472 0.280 20 0 GCADHM CC(=O)N1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000735465485 598432056 /nfs/dbraw/zinc/43/20/56/598432056.db2.gz KQIYYKKCAXASRN-UHFFFAOYSA-N -1 3 395.427 0.329 20 0 GCADHM CC(=O)N1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000735465485 598432057 /nfs/dbraw/zinc/43/20/57/598432057.db2.gz KQIYYKKCAXASRN-UHFFFAOYSA-N -1 3 395.427 0.329 20 0 GCADHM O=C(COC(=O)c1cn2ccccc2n1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737914952 598432411 /nfs/dbraw/zinc/43/24/11/598432411.db2.gz AFEKHGUWANAUGJ-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM O=C(COC(=O)c1cn2ccccc2n1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737914952 598432412 /nfs/dbraw/zinc/43/24/12/598432412.db2.gz AFEKHGUWANAUGJ-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736747313 598432765 /nfs/dbraw/zinc/43/27/65/598432765.db2.gz RAWLYVQFPGCCGT-AWEZNQCLSA-N -1 3 395.427 0.327 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736747313 598432767 /nfs/dbraw/zinc/43/27/67/598432767.db2.gz RAWLYVQFPGCCGT-AWEZNQCLSA-N -1 3 395.427 0.327 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736747318 598432857 /nfs/dbraw/zinc/43/28/57/598432857.db2.gz RAWLYVQFPGCCGT-CQSZACIVSA-N -1 3 395.427 0.327 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736747318 598432859 /nfs/dbraw/zinc/43/28/59/598432859.db2.gz RAWLYVQFPGCCGT-CQSZACIVSA-N -1 3 395.427 0.327 20 0 GCADHM Cn1cc(CCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cn1 ZINC000737600981 598434917 /nfs/dbraw/zinc/43/49/17/598434917.db2.gz CXPWSSUJTOOUIC-UHFFFAOYSA-N -1 3 378.400 0.341 20 0 GCADHM Cn1cc(CCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cn1 ZINC000737600981 598434919 /nfs/dbraw/zinc/43/49/19/598434919.db2.gz CXPWSSUJTOOUIC-UHFFFAOYSA-N -1 3 378.400 0.341 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCCn2cccn2)cc1 ZINC000737776684 598435414 /nfs/dbraw/zinc/43/54/14/598435414.db2.gz PHUGZZIECXIMCH-UHFFFAOYSA-N -1 3 378.400 0.651 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCCn2cccn2)cc1 ZINC000737776684 598435415 /nfs/dbraw/zinc/43/54/15/598435415.db2.gz PHUGZZIECXIMCH-UHFFFAOYSA-N -1 3 378.400 0.651 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736328745 598435598 /nfs/dbraw/zinc/43/55/98/598435598.db2.gz YFSUIUGWVMUOAS-QWRGUYRKSA-N -1 3 397.443 0.668 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736328745 598435599 /nfs/dbraw/zinc/43/55/99/598435599.db2.gz YFSUIUGWVMUOAS-QWRGUYRKSA-N -1 3 397.443 0.668 20 0 GCADHM COC[C@H](C)NC(=S)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736971703 598441397 /nfs/dbraw/zinc/44/13/97/598441397.db2.gz WAGCOHZZFWMUNY-NSHDSACASA-N -1 3 376.490 0.730 20 0 GCADHM COC[C@H](C)NC(=S)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736971703 598441399 /nfs/dbraw/zinc/44/13/99/598441399.db2.gz WAGCOHZZFWMUNY-NSHDSACASA-N -1 3 376.490 0.730 20 0 GCADHM Cn1cc(CCC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737604972 598447640 /nfs/dbraw/zinc/44/76/40/598447640.db2.gz RFLWRIZCORSRSE-UHFFFAOYSA-N -1 3 381.444 0.713 20 0 GCADHM Cn1cc(CCC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737604972 598447642 /nfs/dbraw/zinc/44/76/42/598447642.db2.gz RFLWRIZCORSRSE-UHFFFAOYSA-N -1 3 381.444 0.713 20 0 GCADHM O=C(C=Cc1cnccn1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737808397 598448744 /nfs/dbraw/zinc/44/87/44/598448744.db2.gz RSVCEWSWOLVEEA-DUXPYHPUSA-N -1 3 377.412 0.850 20 0 GCADHM O=C(C=Cc1cnccn1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737808397 598448745 /nfs/dbraw/zinc/44/87/45/598448745.db2.gz RSVCEWSWOLVEEA-DUXPYHPUSA-N -1 3 377.412 0.850 20 0 GCADHM O=C(CN1CCSC1=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737885381 598449727 /nfs/dbraw/zinc/44/97/27/598449727.db2.gz XULMEHBNBGXTSR-UHFFFAOYSA-N -1 3 388.457 0.516 20 0 GCADHM O=C(CN1CCSC1=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737885381 598449728 /nfs/dbraw/zinc/44/97/28/598449728.db2.gz XULMEHBNBGXTSR-UHFFFAOYSA-N -1 3 388.457 0.516 20 0 GCADHM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1-n1nnnc1C ZINC000737105422 598453221 /nfs/dbraw/zinc/45/32/21/598453221.db2.gz ZSURVILDXAHRDQ-UHFFFAOYSA-N -1 3 378.356 0.807 20 0 GCADHM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1-n1nnnc1C ZINC000737105422 598453223 /nfs/dbraw/zinc/45/32/23/598453223.db2.gz ZSURVILDXAHRDQ-UHFFFAOYSA-N -1 3 378.356 0.807 20 0 GCADHM CS(=O)(=O)c1ccc(OCCNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737172647 598454365 /nfs/dbraw/zinc/45/43/65/598454365.db2.gz DQIUJUHYSUPIMT-UHFFFAOYSA-N -1 3 388.409 0.474 20 0 GCADHM CS(=O)(=O)c1ccc(OCCNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737172647 598454367 /nfs/dbraw/zinc/45/43/67/598454367.db2.gz DQIUJUHYSUPIMT-UHFFFAOYSA-N -1 3 388.409 0.474 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000737890730 598458513 /nfs/dbraw/zinc/45/85/13/598458513.db2.gz CXSYIQBQGNSHDG-UHFFFAOYSA-N -1 3 379.340 0.212 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000737890730 598458514 /nfs/dbraw/zinc/45/85/14/598458514.db2.gz CXSYIQBQGNSHDG-UHFFFAOYSA-N -1 3 379.340 0.212 20 0 GCADHM CCCS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736498512 598459069 /nfs/dbraw/zinc/45/90/69/598459069.db2.gz UQZQRAGWBHDFTP-UHFFFAOYSA-N -1 3 379.446 0.196 20 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/nfs/dbraw/zinc/46/46/24/598464624.db2.gz GGEARPKPBWUPPM-AWEZNQCLSA-N -1 3 393.473 0.329 20 0 GCADHM O=S(=O)(C[C@@H]1CCCO1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738316876 598464626 /nfs/dbraw/zinc/46/46/26/598464626.db2.gz GGEARPKPBWUPPM-AWEZNQCLSA-N -1 3 393.473 0.329 20 0 GCADHM COc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737041045 598464942 /nfs/dbraw/zinc/46/49/42/598464942.db2.gz SQMRDDCODPHVGT-UHFFFAOYSA-N -1 3 381.400 0.331 20 0 GCADHM COc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737041045 598464943 /nfs/dbraw/zinc/46/49/43/598464943.db2.gz SQMRDDCODPHVGT-UHFFFAOYSA-N -1 3 381.400 0.331 20 0 GCADHM CNS(=O)(=O)c1cccc(CNCc2cnc3c(-c4nnn[n-]4)cnn3c2)c1 ZINC000736888641 598465767 /nfs/dbraw/zinc/46/57/67/598465767.db2.gz ZBYUCCPZQJGNHQ-UHFFFAOYSA-N -1 3 399.440 0.107 20 0 GCADHM CNS(=O)(=O)c1cccc(CNCc2cnc3c(-c4nn[n-]n4)cnn3c2)c1 ZINC000736888641 598465769 /nfs/dbraw/zinc/46/57/69/598465769.db2.gz ZBYUCCPZQJGNHQ-UHFFFAOYSA-N -1 3 399.440 0.107 20 0 GCADHM CCCNC(=O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736482993 598470142 /nfs/dbraw/zinc/47/01/42/598470142.db2.gz DWRNVDXEFJIPPN-UHFFFAOYSA-N -1 3 387.448 0.056 20 0 GCADHM CCCNC(=O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736482993 598470144 /nfs/dbraw/zinc/47/01/44/598470144.db2.gz DWRNVDXEFJIPPN-UHFFFAOYSA-N -1 3 387.448 0.056 20 0 GCADHM Cn1cc(CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737602511 598470452 /nfs/dbraw/zinc/47/04/52/598470452.db2.gz PUYHJBDBNLETJK-UHFFFAOYSA-N -1 3 382.432 0.463 20 0 GCADHM Cn1cc(CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737602511 598470454 /nfs/dbraw/zinc/47/04/54/598470454.db2.gz PUYHJBDBNLETJK-UHFFFAOYSA-N -1 3 382.432 0.463 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737747670 598470487 /nfs/dbraw/zinc/47/04/87/598470487.db2.gz WGMGRVRAGZHOTH-YJBOKZPZSA-N -1 3 394.435 0.691 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737747661 598470622 /nfs/dbraw/zinc/47/06/22/598470622.db2.gz WGMGRVRAGZHOTH-MAUKXSAKSA-N -1 3 394.435 0.691 20 0 GCADHM O=C(NCCn1ncnn1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823229070 607358045 /nfs/dbraw/zinc/35/80/45/607358045.db2.gz CEIOCNRQMPZJED-UHFFFAOYSA-N -1 3 391.395 0.862 20 0 GCADHM O=C(COC[C@@H]1CCCO1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737917461 598473881 /nfs/dbraw/zinc/47/38/81/598473881.db2.gz XZXPDMYUPVWHAQ-HNNXBMFYSA-N -1 3 387.444 0.542 20 0 GCADHM O=C(COC[C@@H]1CCCO1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737917461 598473882 /nfs/dbraw/zinc/47/38/82/598473882.db2.gz XZXPDMYUPVWHAQ-HNNXBMFYSA-N -1 3 387.444 0.542 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736910176 598474347 /nfs/dbraw/zinc/47/43/47/598474347.db2.gz NZPCHQJEIHEOAY-ZJUUUORDSA-N -1 3 379.760 0.811 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736910176 598474349 /nfs/dbraw/zinc/47/43/49/598474349.db2.gz NZPCHQJEIHEOAY-ZJUUUORDSA-N -1 3 379.760 0.811 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736910646 598474474 /nfs/dbraw/zinc/47/44/74/598474474.db2.gz QEDVUFATSRRONT-UWVGGRQHSA-N -1 3 379.760 0.811 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736910646 598474475 /nfs/dbraw/zinc/47/44/75/598474475.db2.gz QEDVUFATSRRONT-UWVGGRQHSA-N -1 3 379.760 0.811 20 0 GCADHM CNC(=O)[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736871347 598476864 /nfs/dbraw/zinc/47/68/64/598476864.db2.gz PWGGJTIMDILUEB-HNNXBMFYSA-N -1 3 395.379 0.022 20 0 GCADHM CNC(=O)[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736871347 598476866 /nfs/dbraw/zinc/47/68/66/598476866.db2.gz PWGGJTIMDILUEB-HNNXBMFYSA-N -1 3 395.379 0.022 20 0 GCADHM COC(=O)c1ccccc1N(C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736956033 598477286 /nfs/dbraw/zinc/47/72/86/598477286.db2.gz CDXGNTQHASJHJV-UHFFFAOYSA-N -1 3 396.363 0.868 20 0 GCADHM COC(=O)c1ccccc1N(C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736956033 598477287 /nfs/dbraw/zinc/47/72/87/598477287.db2.gz CDXGNTQHASJHJV-UHFFFAOYSA-N -1 3 396.363 0.868 20 0 GCADHM CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735472957 598477764 /nfs/dbraw/zinc/47/77/64/598477764.db2.gz CVLFODVHPBGOOD-UHFFFAOYSA-N -1 3 394.391 0.980 20 0 GCADHM CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735472957 598477766 /nfs/dbraw/zinc/47/77/66/598477766.db2.gz CVLFODVHPBGOOD-UHFFFAOYSA-N -1 3 394.391 0.980 20 0 GCADHM Cc1cccc(OCCNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737410021 598478333 /nfs/dbraw/zinc/47/83/33/598478333.db2.gz CWKUDMIZSDIAAM-UHFFFAOYSA-N -1 3 382.380 0.922 20 0 GCADHM Cc1cccc(OCCNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737410021 598478335 /nfs/dbraw/zinc/47/83/35/598478335.db2.gz CWKUDMIZSDIAAM-UHFFFAOYSA-N -1 3 382.380 0.922 20 0 GCADHM CN(C)C(=O)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736747629 598478341 /nfs/dbraw/zinc/47/83/41/598478341.db2.gz TVASAUQTRDFGOW-UHFFFAOYSA-N -1 3 387.448 0.008 20 0 GCADHM CN(C)C(=O)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736747629 598478342 /nfs/dbraw/zinc/47/83/42/598478342.db2.gz TVASAUQTRDFGOW-UHFFFAOYSA-N -1 3 387.448 0.008 20 0 GCADHM Cc1noc(CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737544963 598480865 /nfs/dbraw/zinc/48/08/65/598480865.db2.gz CSJOKUUZNCONQC-UHFFFAOYSA-N -1 3 384.404 0.421 20 0 GCADHM Cc1noc(CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737544963 598480867 /nfs/dbraw/zinc/48/08/67/598480867.db2.gz CSJOKUUZNCONQC-UHFFFAOYSA-N -1 3 384.404 0.421 20 0 GCADHM O=C(Cn1nnnc1CCc1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737986145 598493526 /nfs/dbraw/zinc/49/35/26/598493526.db2.gz USNROHOYCIBURI-UHFFFAOYSA-N -1 3 389.423 0.955 20 0 GCADHM O=C(Cn1nnnc1CCc1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737986145 598493529 /nfs/dbraw/zinc/49/35/29/598493529.db2.gz USNROHOYCIBURI-UHFFFAOYSA-N -1 3 389.423 0.955 20 0 GCADHM S=C(NCCc1cccnc1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738401491 598497472 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GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736509791 598508201 /nfs/dbraw/zinc/50/82/01/598508201.db2.gz MIQMRDCOWFGJIW-CYBMUJFWSA-N -1 3 396.498 0.550 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736509791 598508203 /nfs/dbraw/zinc/50/82/03/598508203.db2.gz MIQMRDCOWFGJIW-CYBMUJFWSA-N -1 3 396.498 0.550 20 0 GCADHM C[C@@H]1C(=O)NCCN1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736231946 598509085 /nfs/dbraw/zinc/50/90/85/598509085.db2.gz YWVGFTWGUXDOJJ-SNVBAGLBSA-N -1 3 389.485 0.956 20 0 GCADHM C[C@@H]1C(=O)NCCN1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736231946 598509088 /nfs/dbraw/zinc/50/90/88/598509088.db2.gz YWVGFTWGUXDOJJ-SNVBAGLBSA-N -1 3 389.485 0.956 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](C2OCCO2)C1 ZINC000738332434 598509497 /nfs/dbraw/zinc/50/94/97/598509497.db2.gz XWRKNSQXWPMDEZ-AWEZNQCLSA-N -1 3 379.442 0.781 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](C2OCCO2)C1 ZINC000738332434 598509499 /nfs/dbraw/zinc/50/94/99/598509499.db2.gz XWRKNSQXWPMDEZ-AWEZNQCLSA-N -1 3 379.442 0.781 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737744615 598510425 /nfs/dbraw/zinc/51/04/25/598510425.db2.gz MTCXXWUXAKZDHQ-JKSUJKDBSA-N -1 3 394.435 0.771 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NCc1nnnn1-c1ccccc1 ZINC000738329837 598510629 /nfs/dbraw/zinc/51/06/29/598510629.db2.gz LKYFZJXPZNMOFN-UHFFFAOYSA-N -1 3 397.424 0.462 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCc1nnnn1-c1ccccc1 ZINC000738329837 598510631 /nfs/dbraw/zinc/51/06/31/598510631.db2.gz LKYFZJXPZNMOFN-UHFFFAOYSA-N -1 3 397.424 0.462 20 0 GCADHM O=C(Cn1c(=O)cnc2ccccc21)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737982871 598512798 /nfs/dbraw/zinc/51/27/98/598512798.db2.gz SRMMWESSIONEMO-UHFFFAOYSA-N -1 3 392.379 0.627 20 0 GCADHM O=C(Cn1c(=O)cnc2ccccc21)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737982871 598512800 /nfs/dbraw/zinc/51/28/00/598512800.db2.gz SRMMWESSIONEMO-UHFFFAOYSA-N -1 3 392.379 0.627 20 0 GCADHM O=C(NCCOCC1CC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738081373 598513211 /nfs/dbraw/zinc/51/32/11/598513211.db2.gz CDHFAONQCJPGAD-UHFFFAOYSA-N -1 3 386.460 0.956 20 0 GCADHM O=C(NCCOCC1CC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738081373 598513212 /nfs/dbraw/zinc/51/32/12/598513212.db2.gz CDHFAONQCJPGAD-UHFFFAOYSA-N -1 3 386.460 0.956 20 0 GCADHM O=C(CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)NCc1ccccn1 ZINC000737884307 598524695 /nfs/dbraw/zinc/52/46/95/598524695.db2.gz VBBLSUIHGBXACK-UHFFFAOYSA-N -1 3 396.430 0.839 20 0 GCADHM O=C(CN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)NCc1ccccn1 ZINC000737884307 598524696 /nfs/dbraw/zinc/52/46/96/598524696.db2.gz VBBLSUIHGBXACK-UHFFFAOYSA-N -1 3 396.430 0.839 20 0 GCADHM CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735884015 598529758 /nfs/dbraw/zinc/52/97/58/598529758.db2.gz DYYXWASOSPQHRV-UHFFFAOYSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735884015 598529760 /nfs/dbraw/zinc/52/97/60/598529760.db2.gz DYYXWASOSPQHRV-UHFFFAOYSA-N -1 3 378.458 0.792 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737161431 598533781 /nfs/dbraw/zinc/53/37/81/598533781.db2.gz JMMFDCPYDXEVOL-UHFFFAOYSA-N -1 3 378.458 0.340 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737161431 598533783 /nfs/dbraw/zinc/53/37/83/598533783.db2.gz JMMFDCPYDXEVOL-UHFFFAOYSA-N -1 3 378.458 0.340 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737163708 598535984 /nfs/dbraw/zinc/53/59/84/598535984.db2.gz YKSLKFZIFYFRQE-UHFFFAOYSA-N -1 3 396.448 0.479 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737163708 598535986 /nfs/dbraw/zinc/53/59/86/598535986.db2.gz YKSLKFZIFYFRQE-UHFFFAOYSA-N -1 3 396.448 0.479 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735746717 598536026 /nfs/dbraw/zinc/53/60/26/598536026.db2.gz HPAPASRFLDHXMS-CQSZACIVSA-N -1 3 395.427 0.231 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735746717 598536028 /nfs/dbraw/zinc/53/60/28/598536028.db2.gz HPAPASRFLDHXMS-CQSZACIVSA-N -1 3 395.427 0.231 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000737289839 598536097 /nfs/dbraw/zinc/53/60/97/598536097.db2.gz UCWKKMOJPOOIKX-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000737289839 598536098 /nfs/dbraw/zinc/53/60/98/598536098.db2.gz UCWKKMOJPOOIKX-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737746721 598537040 /nfs/dbraw/zinc/53/70/40/598537040.db2.gz LAQIMESFTAIJJS-UHFFFAOYSA-N -1 3 380.368 0.119 20 0 GCADHM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737746721 598537042 /nfs/dbraw/zinc/53/70/42/598537042.db2.gz LAQIMESFTAIJJS-UHFFFAOYSA-N -1 3 380.368 0.119 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCC3(C2)OCCO3)cc1 ZINC000737777263 598537081 /nfs/dbraw/zinc/53/70/81/598537081.db2.gz RTLFZAQMGPFHIG-UHFFFAOYSA-N -1 3 382.384 0.224 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCC3(C2)OCCO3)cc1 ZINC000737777263 598537083 /nfs/dbraw/zinc/53/70/83/598537083.db2.gz RTLFZAQMGPFHIG-UHFFFAOYSA-N -1 3 382.384 0.224 20 0 GCADHM O=C(NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1)c1ccccc1F ZINC000738075248 598538094 /nfs/dbraw/zinc/53/80/94/598538094.db2.gz LZAGQPDLLNDDJG-UHFFFAOYSA-N -1 3 396.430 0.953 20 0 GCADHM O=C(NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1)c1ccccc1F ZINC000738075248 598538095 /nfs/dbraw/zinc/53/80/95/598538095.db2.gz LZAGQPDLLNDDJG-UHFFFAOYSA-N -1 3 396.430 0.953 20 0 GCADHM O=c1cc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)[nH]c2ccnn21 ZINC000738379011 598539678 /nfs/dbraw/zinc/53/96/78/598539678.db2.gz FJPGIHAQVPVSKR-UHFFFAOYSA-N -1 3 377.412 0.525 20 0 GCADHM C[C@@H](OC(=O)CCCS(C)(=O)=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736148043 598543226 /nfs/dbraw/zinc/54/32/26/598543226.db2.gz FJUCUNGDPPYKHV-SNVBAGLBSA-N -1 3 381.414 0.562 20 0 GCADHM C[C@@H](OC(=O)CCCS(C)(=O)=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736148043 598543227 /nfs/dbraw/zinc/54/32/27/598543227.db2.gz FJUCUNGDPPYKHV-SNVBAGLBSA-N -1 3 381.414 0.562 20 0 GCADHM CN(C)c1nnc(S(=O)(=O)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736780630 598543262 /nfs/dbraw/zinc/54/32/62/598543262.db2.gz YEBIUQXQUPHKEN-UHFFFAOYSA-N -1 3 394.442 0.197 20 0 GCADHM C[C@H](OC(=O)CCCS(C)(=O)=O)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736149993 598543461 /nfs/dbraw/zinc/54/34/61/598543461.db2.gz MDOIZZVPPNJLNR-JTQLQIEISA-N -1 3 381.414 0.562 20 0 GCADHM C[C@H](OC(=O)CCCS(C)(=O)=O)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736149993 598543463 /nfs/dbraw/zinc/54/34/63/598543463.db2.gz MDOIZZVPPNJLNR-JTQLQIEISA-N -1 3 381.414 0.562 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736303218 598548197 /nfs/dbraw/zinc/54/81/97/598548197.db2.gz KKMWOKWHYPZVEV-NSHDSACASA-N -1 3 376.446 0.101 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736303218 598548198 /nfs/dbraw/zinc/54/81/98/598548198.db2.gz KKMWOKWHYPZVEV-NSHDSACASA-N -1 3 376.446 0.101 20 0 GCADHM CN1C[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1=O ZINC000736848118 598549450 /nfs/dbraw/zinc/54/94/50/598549450.db2.gz YHTLXVUZKPBVPL-LBPRGKRZSA-N -1 3 382.380 0.999 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735623390 598555458 /nfs/dbraw/zinc/55/54/58/598555458.db2.gz NHMHNTFFAYKURE-UHFFFAOYSA-N -1 3 375.437 0.278 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735623390 598555460 /nfs/dbraw/zinc/55/54/60/598555460.db2.gz NHMHNTFFAYKURE-UHFFFAOYSA-N -1 3 375.437 0.278 20 0 GCADHM COCCOc1ncccc1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737014817 598555692 /nfs/dbraw/zinc/55/56/92/598555692.db2.gz REMGNOAOXBZYCH-UHFFFAOYSA-N -1 3 397.395 0.655 20 0 GCADHM COCCOc1ncccc1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737014817 598555693 /nfs/dbraw/zinc/55/56/93/598555693.db2.gz REMGNOAOXBZYCH-UHFFFAOYSA-N -1 3 397.395 0.655 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000737025975 598556125 /nfs/dbraw/zinc/55/61/25/598556125.db2.gz RTVHYCSXOAGZJU-ZDUSSCGKSA-N -1 3 389.412 0.866 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000737025975 598556126 /nfs/dbraw/zinc/55/61/26/598556126.db2.gz RTVHYCSXOAGZJU-ZDUSSCGKSA-N -1 3 389.412 0.866 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736451043 598557474 /nfs/dbraw/zinc/55/74/74/598557474.db2.gz FUWOFYSGSLIDFR-UHFFFAOYSA-N -1 3 395.441 0.953 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736451043 598557475 /nfs/dbraw/zinc/55/74/75/598557475.db2.gz FUWOFYSGSLIDFR-UHFFFAOYSA-N -1 3 395.441 0.953 20 0 GCADHM NS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000737769037 598560739 /nfs/dbraw/zinc/56/07/39/598560739.db2.gz CUXJBOXSMFMCKD-UHFFFAOYSA-N -1 3 399.385 0.421 20 0 GCADHM NS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000737769037 598560740 /nfs/dbraw/zinc/56/07/40/598560740.db2.gz CUXJBOXSMFMCKD-UHFFFAOYSA-N -1 3 399.385 0.421 20 0 GCADHM NS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC000737770726 598560805 /nfs/dbraw/zinc/56/08/05/598560805.db2.gz XIUZJSNNOOEOFS-UHFFFAOYSA-N -1 3 399.385 0.421 20 0 GCADHM NS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC000737770726 598560807 /nfs/dbraw/zinc/56/08/07/598560807.db2.gz XIUZJSNNOOEOFS-UHFFFAOYSA-N -1 3 399.385 0.421 20 0 GCADHM O=C(NCCN1CCOCC1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738075324 598560837 /nfs/dbraw/zinc/56/08/37/598560837.db2.gz NBDLZVYHAXYKKD-UHFFFAOYSA-N -1 3 383.359 0.922 20 0 GCADHM O=C(NCCN1CCOCC1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738075324 598560840 /nfs/dbraw/zinc/56/08/40/598560840.db2.gz NBDLZVYHAXYKKD-UHFFFAOYSA-N -1 3 383.359 0.922 20 0 GCADHM CO[C@@H](C)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736957992 598565504 /nfs/dbraw/zinc/56/55/04/598565504.db2.gz LQYISIPBZXHABI-QMMMGPOBSA-N -1 3 384.343 0.948 20 0 GCADHM CO[C@@H](C)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736957992 598565505 /nfs/dbraw/zinc/56/55/05/598565505.db2.gz LQYISIPBZXHABI-QMMMGPOBSA-N -1 3 384.343 0.948 20 0 GCADHM O=C(COCC(=O)NCc1cccc(-c2nnn[n-]2)c1)NCc1cccnc1 ZINC000737916057 598565522 /nfs/dbraw/zinc/56/55/22/598565522.db2.gz QLVBXDZLIYELOB-UHFFFAOYSA-N -1 3 381.396 0.211 20 0 GCADHM O=C(COCC(=O)NCc1cccc(-c2nn[n-]n2)c1)NCc1cccnc1 ZINC000737916057 598565523 /nfs/dbraw/zinc/56/55/23/598565523.db2.gz QLVBXDZLIYELOB-UHFFFAOYSA-N -1 3 381.396 0.211 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000738111723 598566295 /nfs/dbraw/zinc/56/62/95/598566295.db2.gz JJEKJLOTSZCDPJ-HNNXBMFYSA-N -1 3 385.409 0.213 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000738111723 598566296 /nfs/dbraw/zinc/56/62/96/598566296.db2.gz JJEKJLOTSZCDPJ-HNNXBMFYSA-N -1 3 385.409 0.213 20 0 GCADHM CCN1C(=S)N=NC1CCNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736714597 598567054 /nfs/dbraw/zinc/56/70/54/598567054.db2.gz SRLADXPBGNXTRU-JTQLQIEISA-N -1 3 388.457 0.893 20 0 GCADHM CCN1C(=S)N=NC1CCNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736714597 598567055 /nfs/dbraw/zinc/56/70/55/598567055.db2.gz SRLADXPBGNXTRU-JTQLQIEISA-N -1 3 388.457 0.893 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NC[C@@H](O)COc1ccc(F)cc1 ZINC000737925651 598568645 /nfs/dbraw/zinc/56/86/45/598568645.db2.gz WOQWHLIYWTYUNM-CYBMUJFWSA-N -1 3 387.371 0.941 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NC[C@@H](O)COc1ccc(F)cc1 ZINC000737925651 598568646 /nfs/dbraw/zinc/56/86/46/598568646.db2.gz WOQWHLIYWTYUNM-CYBMUJFWSA-N -1 3 387.371 0.941 20 0 GCADHM COC(=O)CN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)CC(=O)OC ZINC000736921372 598580168 /nfs/dbraw/zinc/58/01/68/598580168.db2.gz BANOMDDUNOGEOR-UHFFFAOYSA-N -1 3 396.791 0.107 20 0 GCADHM COC(=O)CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)CC(=O)OC ZINC000736921372 598580169 /nfs/dbraw/zinc/58/01/69/598580169.db2.gz BANOMDDUNOGEOR-UHFFFAOYSA-N -1 3 396.791 0.107 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)C1 ZINC000738358766 598581283 /nfs/dbraw/zinc/58/12/83/598581283.db2.gz XCXCFQDGRFAVBF-CYBMUJFWSA-N -1 3 399.480 0.724 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)C1 ZINC000738358766 598581285 /nfs/dbraw/zinc/58/12/85/598581285.db2.gz XCXCFQDGRFAVBF-CYBMUJFWSA-N -1 3 399.480 0.724 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735475921 598585602 /nfs/dbraw/zinc/58/56/02/598585602.db2.gz RQJQRLDRQYWPGY-TVQRCGJNSA-N -1 3 389.441 0.231 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735475921 598585604 /nfs/dbraw/zinc/58/56/04/598585604.db2.gz RQJQRLDRQYWPGY-TVQRCGJNSA-N -1 3 389.441 0.231 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(CCOc1cccc(-c3nnn[n-]3)c1)c2=O ZINC000736932623 598586003 /nfs/dbraw/zinc/58/60/03/598586003.db2.gz PIEUJFBOQOJEST-UHFFFAOYSA-N -1 3 396.367 0.025 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(CCOc1cccc(-c3nn[n-]n3)c1)c2=O ZINC000736932623 598586005 /nfs/dbraw/zinc/58/60/05/598586005.db2.gz PIEUJFBOQOJEST-UHFFFAOYSA-N -1 3 396.367 0.025 20 0 GCADHM CC(C)(CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)NS(C)(=O)=O ZINC000735670957 598587533 /nfs/dbraw/zinc/58/75/33/598587533.db2.gz YOLDAVHGWOLECF-UHFFFAOYSA-N -1 3 398.514 0.544 20 0 GCADHM CC(C)(CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)NS(C)(=O)=O ZINC000735670957 598587534 /nfs/dbraw/zinc/58/75/34/598587534.db2.gz YOLDAVHGWOLECF-UHFFFAOYSA-N -1 3 398.514 0.544 20 0 GCADHM CCNC(=O)N1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736575144 598589075 /nfs/dbraw/zinc/58/90/75/598589075.db2.gz BKCHVAYSSNRTCB-UHFFFAOYSA-N -1 3 389.485 0.974 20 0 GCADHM CCNC(=O)N1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736575144 598589076 /nfs/dbraw/zinc/58/90/76/598589076.db2.gz BKCHVAYSSNRTCB-UHFFFAOYSA-N -1 3 389.485 0.974 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCOC[C@@H]1CCOC1 ZINC000737023462 598590749 /nfs/dbraw/zinc/59/07/49/598590749.db2.gz KRIFMVGTUAQYBU-GFCCVEGCSA-N -1 3 377.401 0.423 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCOC[C@@H]1CCOC1 ZINC000737023462 598590751 /nfs/dbraw/zinc/59/07/51/598590751.db2.gz KRIFMVGTUAQYBU-GFCCVEGCSA-N -1 3 377.401 0.423 20 0 GCADHM CS(=O)(=O)CCN1CCC(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737163501 598591061 /nfs/dbraw/zinc/59/10/61/598591061.db2.gz WMHQCRQJIUXIFP-UHFFFAOYSA-N -1 3 392.485 0.034 20 0 GCADHM CS(=O)(=O)CCN1CCC(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737163501 598591063 /nfs/dbraw/zinc/59/10/63/598591063.db2.gz WMHQCRQJIUXIFP-UHFFFAOYSA-N -1 3 392.485 0.034 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736578472 598591070 /nfs/dbraw/zinc/59/10/70/598591070.db2.gz WQMIZCPIMRKTLJ-AWEZNQCLSA-N -1 3 396.473 0.326 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736578472 598591073 /nfs/dbraw/zinc/59/10/73/598591073.db2.gz WQMIZCPIMRKTLJ-AWEZNQCLSA-N -1 3 396.473 0.326 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NCCS(=O)(=O)NCC1CCC1 ZINC000737930938 598591241 /nfs/dbraw/zinc/59/12/41/598591241.db2.gz PPHOAJQSUZINFN-UHFFFAOYSA-N -1 3 394.457 0.081 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NCCS(=O)(=O)NCC1CCC1 ZINC000737930938 598591243 /nfs/dbraw/zinc/59/12/43/598591243.db2.gz PPHOAJQSUZINFN-UHFFFAOYSA-N -1 3 394.457 0.081 20 0 GCADHM CCS(=O)(=O)NCCN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736664000 598595159 /nfs/dbraw/zinc/59/51/59/598595159.db2.gz JQGPWYYNFLWAIO-UHFFFAOYSA-N -1 3 380.474 0.649 20 0 GCADHM COCC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736965310 598595452 /nfs/dbraw/zinc/59/54/52/598595452.db2.gz BSQAPEIDAIJQOO-INIZCTEOSA-N -1 3 399.455 0.153 20 0 GCADHM O=S(=O)(C[C@H]1CCOC1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738318258 598595845 /nfs/dbraw/zinc/59/58/45/598595845.db2.gz PHSSRDXEPKTLJH-LBPRGKRZSA-N -1 3 396.448 0.494 20 0 GCADHM O=S(=O)(C[C@H]1CCOC1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738320855 598596221 /nfs/dbraw/zinc/59/62/21/598596221.db2.gz YSCZBQDVLSKBMX-ZDUSSCGKSA-N -1 3 378.458 0.355 20 0 GCADHM O=S(=O)(C[C@H]1CCOC1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738320855 598596222 /nfs/dbraw/zinc/59/62/22/598596222.db2.gz YSCZBQDVLSKBMX-ZDUSSCGKSA-N -1 3 378.458 0.355 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738086007 598596679 /nfs/dbraw/zinc/59/66/79/598596679.db2.gz RKNQJIXLJRPGBN-UHFFFAOYSA-N -1 3 379.446 0.708 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738086007 598596680 /nfs/dbraw/zinc/59/66/80/598596680.db2.gz RKNQJIXLJRPGBN-UHFFFAOYSA-N -1 3 379.446 0.708 20 0 GCADHM O=C(NCCNc1ncccn1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738081302 598597060 /nfs/dbraw/zinc/59/70/60/598597060.db2.gz AUMGTSGBIRKAAU-OAHLLOKOSA-N -1 3 379.428 0.854 20 0 GCADHM Cc1c(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)nnn1-c1ccccc1 ZINC000737209100 598601551 /nfs/dbraw/zinc/60/15/51/598601551.db2.gz KCTLFAFTMCEXNE-UHFFFAOYSA-N -1 3 380.372 0.392 20 0 GCADHM Cc1c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)nnn1-c1ccccc1 ZINC000737209100 598601552 /nfs/dbraw/zinc/60/15/52/598601552.db2.gz KCTLFAFTMCEXNE-UHFFFAOYSA-N -1 3 380.372 0.392 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000737772469 598603223 /nfs/dbraw/zinc/60/32/23/598603223.db2.gz ZFZHXPCZQDOTHX-AWEZNQCLSA-N -1 3 396.411 0.493 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000737772469 598603225 /nfs/dbraw/zinc/60/32/25/598603225.db2.gz ZFZHXPCZQDOTHX-AWEZNQCLSA-N -1 3 396.411 0.493 20 0 GCADHM CC(=O)N[C@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)c1ccccc1 ZINC000735474483 598604031 /nfs/dbraw/zinc/60/40/31/598604031.db2.gz JSZLNUUSGVJJOR-CQSZACIVSA-N -1 3 384.400 0.456 20 0 GCADHM CC(=O)N[C@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC000735474483 598604032 /nfs/dbraw/zinc/60/40/32/598604032.db2.gz JSZLNUUSGVJJOR-CQSZACIVSA-N -1 3 384.400 0.456 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000737770909 598604924 /nfs/dbraw/zinc/60/49/24/598604924.db2.gz NFLCDVPYBFQQSI-GFCCVEGCSA-N -1 3 396.411 0.780 20 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/nfs/dbraw/zinc/60/52/34/598605234.db2.gz LCUUITBLIWTWCB-UHFFFAOYSA-N -1 3 397.443 0.087 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCCN2CCOCC2)cc1 ZINC000737776320 598605235 /nfs/dbraw/zinc/60/52/35/598605235.db2.gz LCUUITBLIWTWCB-UHFFFAOYSA-N -1 3 397.443 0.087 20 0 GCADHM COc1ccc2c(ccn2CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000737118819 598605359 /nfs/dbraw/zinc/60/53/59/598605359.db2.gz IISCYZASWUSXPU-UHFFFAOYSA-N -1 3 382.384 0.852 20 0 GCADHM COc1ccc2c(ccn2CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000737118819 598605361 /nfs/dbraw/zinc/60/53/61/598605361.db2.gz IISCYZASWUSXPU-UHFFFAOYSA-N -1 3 382.384 0.852 20 0 GCADHM NC(=O)COc1cccc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826391465 607362415 /nfs/dbraw/zinc/36/24/15/607362415.db2.gz MOBJAIVJLTVCPO-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM NC(=O)COc1cccc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826391465 607362417 /nfs/dbraw/zinc/36/24/17/607362417.db2.gz MOBJAIVJLTVCPO-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000737770904 598605995 /nfs/dbraw/zinc/60/59/95/598605995.db2.gz NFGMCGJKXNYOJA-UHFFFAOYSA-N -1 3 384.356 0.122 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000737770904 598605997 /nfs/dbraw/zinc/60/59/97/598605997.db2.gz NFGMCGJKXNYOJA-UHFFFAOYSA-N -1 3 384.356 0.122 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737489565 598606054 /nfs/dbraw/zinc/60/60/54/598606054.db2.gz LIHXAEJLDLJYLV-UHFFFAOYSA-N -1 3 382.363 0.824 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737489565 598606056 /nfs/dbraw/zinc/60/60/56/598606056.db2.gz LIHXAEJLDLJYLV-UHFFFAOYSA-N -1 3 382.363 0.824 20 0 GCADHM C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736233959 598607344 /nfs/dbraw/zinc/60/73/44/598607344.db2.gz HIXJBIZFESPTKS-SMDDNHRTSA-N -1 3 376.442 0.356 20 0 GCADHM C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736233959 598607346 /nfs/dbraw/zinc/60/73/46/598607346.db2.gz HIXJBIZFESPTKS-SMDDNHRTSA-N -1 3 376.442 0.356 20 0 GCADHM O=C(COC(=O)c1ccc(-n2cncn2)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416046 607362746 /nfs/dbraw/zinc/36/27/46/607362746.db2.gz FTEFKTNFOKHNFQ-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM O=C(COC(=O)c1ccc(-n2cncn2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416046 607362748 /nfs/dbraw/zinc/36/27/48/607362748.db2.gz FTEFKTNFOKHNFQ-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM COCCCN(CCOc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000736980279 598618273 /nfs/dbraw/zinc/61/82/73/598618273.db2.gz CANLTQBZJJIECH-CQSZACIVSA-N -1 3 395.485 0.771 20 0 GCADHM COCCCN(CCOc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000736980279 598618274 /nfs/dbraw/zinc/61/82/74/598618274.db2.gz CANLTQBZJJIECH-CQSZACIVSA-N -1 3 395.485 0.771 20 0 GCADHM O=C(COC(=O)c1ccc(NCCO)cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737911493 598619704 /nfs/dbraw/zinc/61/97/04/598619704.db2.gz QNBGDJXEPLJSEA-UHFFFAOYSA-N -1 3 396.407 0.744 20 0 GCADHM O=C(COC(=O)c1ccc(NCCO)cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737911493 598619707 /nfs/dbraw/zinc/61/97/07/598619707.db2.gz QNBGDJXEPLJSEA-UHFFFAOYSA-N -1 3 396.407 0.744 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409787 607360981 /nfs/dbraw/zinc/36/09/81/607360981.db2.gz OZYCPAHHJQJCEV-UHFFFAOYSA-N -1 3 398.379 0.457 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409787 607360982 /nfs/dbraw/zinc/36/09/82/607360982.db2.gz OZYCPAHHJQJCEV-UHFFFAOYSA-N -1 3 398.379 0.457 20 0 GCADHM CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736576658 598621616 /nfs/dbraw/zinc/62/16/16/598621616.db2.gz YLZPIVZJIXQSBE-ZDUSSCGKSA-N -1 3 387.400 0.224 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N1CCCS(=O)(=O)CC1 ZINC000737930702 598624561 /nfs/dbraw/zinc/62/45/61/598624561.db2.gz DICQOYJWEOQTPR-UHFFFAOYSA-N -1 3 381.483 0.747 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N1CCCS(=O)(=O)CC1 ZINC000737930702 598624563 /nfs/dbraw/zinc/62/45/63/598624563.db2.gz DICQOYJWEOQTPR-UHFFFAOYSA-N -1 3 381.483 0.747 20 0 GCADHM CCN(CCCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000736536378 598626536 /nfs/dbraw/zinc/62/65/36/598626536.db2.gz BHKQFSCRKZXDQU-UHFFFAOYSA-N -1 3 385.425 0.799 20 0 GCADHM CCN(CCCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000736536378 598626537 /nfs/dbraw/zinc/62/65/37/598626537.db2.gz BHKQFSCRKZXDQU-UHFFFAOYSA-N -1 3 385.425 0.799 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737164709 598628140 /nfs/dbraw/zinc/62/81/40/598628140.db2.gz AGDIUPJVJZGYSW-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737164709 598628142 /nfs/dbraw/zinc/62/81/42/598628142.db2.gz AGDIUPJVJZGYSW-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM COc1cccc(C(=O)N2CCN(c3c(-c4nnn[n-]4)c(C)nn3C)CC2)c1 ZINC000737120531 598633381 /nfs/dbraw/zinc/63/33/81/598633381.db2.gz DHTPEXSHISVGDB-UHFFFAOYSA-N -1 3 382.428 0.880 20 0 GCADHM COc1cccc(C(=O)N2CCN(c3c(-c4nn[n-]n4)c(C)nn3C)CC2)c1 ZINC000737120531 598633382 /nfs/dbraw/zinc/63/33/82/598633382.db2.gz DHTPEXSHISVGDB-UHFFFAOYSA-N -1 3 382.428 0.880 20 0 GCADHM Cn1c2ccc(NC(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)cc2oc1=O ZINC000737588396 598634577 /nfs/dbraw/zinc/63/45/77/598634577.db2.gz FSPTYHDBJIHWGV-UHFFFAOYSA-N -1 3 395.383 0.940 20 0 GCADHM Cn1c2ccc(NC(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)cc2oc1=O ZINC000737588396 598634578 /nfs/dbraw/zinc/63/45/78/598634578.db2.gz FSPTYHDBJIHWGV-UHFFFAOYSA-N -1 3 395.383 0.940 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1nnc2ccccn21 ZINC000736095597 598635231 /nfs/dbraw/zinc/63/52/31/598635231.db2.gz HJHUALOIOLPQJU-VIFPVBQESA-N -1 3 395.358 0.864 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1nnc2ccccn21 ZINC000736095597 598635233 /nfs/dbraw/zinc/63/52/33/598635233.db2.gz HJHUALOIOLPQJU-VIFPVBQESA-N -1 3 395.358 0.864 20 0 GCADHM O=C(NCCc1cn2ccccc2n1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738089245 598636320 /nfs/dbraw/zinc/63/63/20/598636320.db2.gz WMVXKHZFYZJAPO-UHFFFAOYSA-N -1 3 394.370 0.951 20 0 GCADHM O=C(NCCc1cn2ccccc2n1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738089245 598636321 /nfs/dbraw/zinc/63/63/21/598636321.db2.gz WMVXKHZFYZJAPO-UHFFFAOYSA-N -1 3 394.370 0.951 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000738163182 598637761 /nfs/dbraw/zinc/63/77/61/598637761.db2.gz PIUXIWCVONWCCM-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000738163182 598637762 /nfs/dbraw/zinc/63/77/62/598637762.db2.gz PIUXIWCVONWCCM-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM CN(Cc1cccc(C(N)=O)c1)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736823653 598638326 /nfs/dbraw/zinc/63/83/26/598638326.db2.gz ZBKKWVUHKJINGE-UHFFFAOYSA-N -1 3 397.370 0.702 20 0 GCADHM CN(Cc1cccc(C(N)=O)c1)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736823653 598638328 /nfs/dbraw/zinc/63/83/28/598638328.db2.gz ZBKKWVUHKJINGE-UHFFFAOYSA-N -1 3 397.370 0.702 20 0 GCADHM CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736325494 598638565 /nfs/dbraw/zinc/63/85/65/598638565.db2.gz KKSFOYFDSNJYSK-VIFPVBQESA-N -1 3 377.380 0.365 20 0 GCADHM CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736325494 598638566 /nfs/dbraw/zinc/63/85/66/598638566.db2.gz KKSFOYFDSNJYSK-VIFPVBQESA-N -1 3 377.380 0.365 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC2(CC1)OCCO2 ZINC000738161979 598639226 /nfs/dbraw/zinc/63/92/26/598639226.db2.gz HSSJDPXFNWOUOG-UHFFFAOYSA-N -1 3 376.348 0.310 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC2(CC1)OCCO2 ZINC000738161979 598639228 /nfs/dbraw/zinc/63/92/28/598639228.db2.gz HSSJDPXFNWOUOG-UHFFFAOYSA-N -1 3 376.348 0.310 20 0 GCADHM CC(=O)NC1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735473674 598639783 /nfs/dbraw/zinc/63/97/83/598639783.db2.gz CYBFDXMETVXYOW-UHFFFAOYSA-N -1 3 389.391 0.508 20 0 GCADHM CC(=O)NC1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735473674 598639785 /nfs/dbraw/zinc/63/97/85/598639785.db2.gz CYBFDXMETVXYOW-UHFFFAOYSA-N -1 3 389.391 0.508 20 0 GCADHM CC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735476193 598639865 /nfs/dbraw/zinc/63/98/65/598639865.db2.gz UYRCSSAHADTRNT-UHFFFAOYSA-N -1 3 375.364 0.071 20 0 GCADHM CC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735476193 598639866 /nfs/dbraw/zinc/63/98/66/598639866.db2.gz UYRCSSAHADTRNT-UHFFFAOYSA-N -1 3 375.364 0.071 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000738163233 598641135 /nfs/dbraw/zinc/64/11/35/598641135.db2.gz QHYMYZRXMSJJOF-UHFFFAOYSA-N -1 3 397.361 0.790 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)NC1CCN(CC(F)F)CC1 ZINC000738163233 598641136 /nfs/dbraw/zinc/64/11/36/598641136.db2.gz QHYMYZRXMSJJOF-UHFFFAOYSA-N -1 3 397.361 0.790 20 0 GCADHM O=C(NCCCN1CCOC1=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738066658 598642437 /nfs/dbraw/zinc/64/24/37/598642437.db2.gz SVSRFAABPVARHB-UHFFFAOYSA-N -1 3 393.791 0.417 20 0 GCADHM O=C(NCCCN1CCOC1=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738066658 598642439 /nfs/dbraw/zinc/64/24/39/598642439.db2.gz SVSRFAABPVARHB-UHFFFAOYSA-N -1 3 393.791 0.417 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000737833460 598649233 /nfs/dbraw/zinc/64/92/33/598649233.db2.gz SGHZJPDGLWNRMX-ZDUSSCGKSA-N -1 3 379.442 0.719 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000737833460 598649235 /nfs/dbraw/zinc/64/92/35/598649235.db2.gz SGHZJPDGLWNRMX-ZDUSSCGKSA-N -1 3 379.442 0.719 20 0 GCADHM CS(=O)(=O)NC1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737166419 598650823 /nfs/dbraw/zinc/65/08/23/598650823.db2.gz QSIJYOWZPMWHJD-UHFFFAOYSA-N -1 3 396.498 0.499 20 0 GCADHM CS(=O)(=O)NC1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737166419 598650825 /nfs/dbraw/zinc/65/08/25/598650825.db2.gz QSIJYOWZPMWHJD-UHFFFAOYSA-N -1 3 396.498 0.499 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735892954 598656260 /nfs/dbraw/zinc/65/62/60/598656260.db2.gz QOPSKHFYZJLQHK-UHFFFAOYSA-N -1 3 384.487 0.403 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735892954 598656261 /nfs/dbraw/zinc/65/62/61/598656261.db2.gz QOPSKHFYZJLQHK-UHFFFAOYSA-N -1 3 384.487 0.403 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735474869 598659946 /nfs/dbraw/zinc/65/99/46/598659946.db2.gz LGBSYBBPLUHHJF-ZDUSSCGKSA-N -1 3 375.364 0.071 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735474869 598659948 /nfs/dbraw/zinc/65/99/48/598659948.db2.gz LGBSYBBPLUHHJF-ZDUSSCGKSA-N -1 3 375.364 0.071 20 0 GCADHM NC(=O)[C@@H]1CC(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)=NN1c1ccc(F)cc1 ZINC000737737352 598661832 /nfs/dbraw/zinc/66/18/32/598661832.db2.gz CESNLWZOIIAJNF-ZDUSSCGKSA-N -1 3 395.358 0.460 20 0 GCADHM NC(=O)[C@@H]1CC(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)=NN1c1ccc(F)cc1 ZINC000737737352 598661834 /nfs/dbraw/zinc/66/18/34/598661834.db2.gz CESNLWZOIIAJNF-ZDUSSCGKSA-N -1 3 395.358 0.460 20 0 GCADHM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736498484 598662396 /nfs/dbraw/zinc/66/23/96/598662396.db2.gz TUTIDFYKYQIERK-LBPRGKRZSA-N -1 3 379.446 0.795 20 0 GCADHM CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736498484 598662398 /nfs/dbraw/zinc/66/23/98/598662398.db2.gz TUTIDFYKYQIERK-LBPRGKRZSA-N -1 3 379.446 0.795 20 0 GCADHM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1=O ZINC000736229534 598662594 /nfs/dbraw/zinc/66/25/94/598662594.db2.gz MPJPRDASAKVSIC-SFHVURJKSA-N -1 3 392.379 0.667 20 0 GCADHM C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1=O ZINC000736229534 598662596 /nfs/dbraw/zinc/66/25/96/598662596.db2.gz MPJPRDASAKVSIC-SFHVURJKSA-N -1 3 392.379 0.667 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCN1C(=O)CSC1=O ZINC000737941364 598666576 /nfs/dbraw/zinc/66/65/76/598666576.db2.gz METBQSPNALICEL-UHFFFAOYSA-N -1 3 378.439 0.770 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCN1C(=O)CSC1=O ZINC000737941364 598666578 /nfs/dbraw/zinc/66/65/78/598666578.db2.gz METBQSPNALICEL-UHFFFAOYSA-N -1 3 378.439 0.770 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736911618 598669995 /nfs/dbraw/zinc/66/99/95/598669995.db2.gz HEINQHCUXRZPKT-LSDHHAIUSA-N -1 3 386.412 0.236 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736911613 598670258 /nfs/dbraw/zinc/67/02/58/598670258.db2.gz HEINQHCUXRZPKT-CABCVRRESA-N -1 3 386.412 0.236 20 0 GCADHM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738086410 598671372 /nfs/dbraw/zinc/67/13/72/598671372.db2.gz YDQWVXCUBVZENI-CQSZACIVSA-N -1 3 394.457 0.085 20 0 GCADHM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738086410 598671373 /nfs/dbraw/zinc/67/13/73/598671373.db2.gz YDQWVXCUBVZENI-CQSZACIVSA-N -1 3 394.457 0.085 20 0 GCADHM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000738085340 598671398 /nfs/dbraw/zinc/67/13/98/598671398.db2.gz FCZWYGKDRAOHLV-CQSZACIVSA-N -1 3 394.457 0.085 20 0 GCADHM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000738085340 598671400 /nfs/dbraw/zinc/67/14/00/598671400.db2.gz FCZWYGKDRAOHLV-CQSZACIVSA-N -1 3 394.457 0.085 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cs1 ZINC000737482142 598674543 /nfs/dbraw/zinc/67/45/43/598674543.db2.gz JYQLJHZJXQWSHX-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cs1 ZINC000737482142 598674545 /nfs/dbraw/zinc/67/45/45/598674545.db2.gz JYQLJHZJXQWSHX-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM NC(=O)c1cccnc1N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000737763324 598684664 /nfs/dbraw/zinc/68/46/64/598684664.db2.gz BPRFBNGFDUAKON-UHFFFAOYSA-N -1 3 382.403 0.822 20 0 GCADHM NC(=O)c1cccnc1N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000737763324 598684666 /nfs/dbraw/zinc/68/46/66/598684666.db2.gz BPRFBNGFDUAKON-UHFFFAOYSA-N -1 3 382.403 0.822 20 0 GCADHM CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736783075 598687038 /nfs/dbraw/zinc/68/70/38/598687038.db2.gz IAGMZJWFDKRLFW-UHFFFAOYSA-N -1 3 394.388 0.536 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)NCc1ccco1 ZINC000737896137 598689132 /nfs/dbraw/zinc/68/91/32/598689132.db2.gz WNETZADROKINEG-UHFFFAOYSA-N -1 3 380.361 0.194 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)NCc1ccco1 ZINC000737896137 598689134 /nfs/dbraw/zinc/68/91/34/598689134.db2.gz WNETZADROKINEG-UHFFFAOYSA-N -1 3 380.361 0.194 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737764241 598690041 /nfs/dbraw/zinc/69/00/41/598690041.db2.gz IVZMHRGKQPUBEX-QDZRJHCZSA-N -1 3 376.442 0.407 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737764241 598690043 /nfs/dbraw/zinc/69/00/43/598690043.db2.gz IVZMHRGKQPUBEX-QDZRJHCZSA-N -1 3 376.442 0.407 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738018510 598690762 /nfs/dbraw/zinc/69/07/62/598690762.db2.gz BREIEZFNIXDTQL-CYBMUJFWSA-N -1 3 380.405 0.438 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735685102 598692382 /nfs/dbraw/zinc/69/23/82/598692382.db2.gz NZEZSPIXDGLHJI-NSHDSACASA-N -1 3 396.448 0.931 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735475376 598692512 /nfs/dbraw/zinc/69/25/12/598692512.db2.gz PJDRRGKZRLWTOK-UHFFFAOYSA-N -1 3 382.421 0.731 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735475376 598692514 /nfs/dbraw/zinc/69/25/14/598692514.db2.gz PJDRRGKZRLWTOK-UHFFFAOYSA-N -1 3 382.421 0.731 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)NC1CCCCC1 ZINC000737895745 598693665 /nfs/dbraw/zinc/69/36/65/598693665.db2.gz RTOZRXREZWWWOD-UHFFFAOYSA-N -1 3 382.421 0.733 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)NC1CCCCC1 ZINC000737895745 598693667 /nfs/dbraw/zinc/69/36/67/598693667.db2.gz RTOZRXREZWWWOD-UHFFFAOYSA-N -1 3 382.421 0.733 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCCS(=O)(=O)CC1 ZINC000738144318 598693683 /nfs/dbraw/zinc/69/36/83/598693683.db2.gz LHGHRARELAKDMS-UHFFFAOYSA-N -1 3 398.832 0.106 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CCCS(=O)(=O)CC1 ZINC000738144318 598693685 /nfs/dbraw/zinc/69/36/85/598693685.db2.gz LHGHRARELAKDMS-UHFFFAOYSA-N -1 3 398.832 0.106 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738342838 598693717 /nfs/dbraw/zinc/69/37/17/598693717.db2.gz LWNSCSFPBPSCRC-MNOVXSKESA-N -1 3 382.421 0.147 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN(CC(F)F)CC1 ZINC000738353689 598693953 /nfs/dbraw/zinc/69/39/53/598693953.db2.gz FEEONJODFHJBOZ-UHFFFAOYSA-N -1 3 376.364 0.577 20 0 GCADHM CNC(=O)CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736870438 598694709 /nfs/dbraw/zinc/69/47/09/598694709.db2.gz HWYWEBQSEMKONX-UHFFFAOYSA-N -1 3 392.363 0.642 20 0 GCADHM CNC(=O)CCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736870438 598694711 /nfs/dbraw/zinc/69/47/11/598694711.db2.gz HWYWEBQSEMKONX-UHFFFAOYSA-N -1 3 392.363 0.642 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736882058 598694799 /nfs/dbraw/zinc/69/47/99/598694799.db2.gz HGIZBDPIVYOZLN-UHFFFAOYSA-N -1 3 396.498 0.499 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736882058 598694800 /nfs/dbraw/zinc/69/48/00/598694800.db2.gz HGIZBDPIVYOZLN-UHFFFAOYSA-N -1 3 396.498 0.499 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736871925 598694893 /nfs/dbraw/zinc/69/48/93/598694893.db2.gz UMRKOHUJZVILNZ-LBPRGKRZSA-N -1 3 395.427 0.233 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736871925 598694895 /nfs/dbraw/zinc/69/48/95/598694895.db2.gz UMRKOHUJZVILNZ-LBPRGKRZSA-N -1 3 395.427 0.233 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CN(C)CCN1C ZINC000737549228 598696975 /nfs/dbraw/zinc/69/69/75/598696975.db2.gz UBBQELIBADDXAA-ZDUSSCGKSA-N -1 3 384.444 0.534 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000736182415 598696980 /nfs/dbraw/zinc/69/69/80/598696980.db2.gz FFXGHVOGJPKKQN-KBPBESRZSA-N -1 3 383.412 0.758 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000736182415 598696982 /nfs/dbraw/zinc/69/69/82/598696982.db2.gz FFXGHVOGJPKKQN-KBPBESRZSA-N -1 3 383.412 0.758 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000737023525 598697306 /nfs/dbraw/zinc/69/73/06/598697306.db2.gz LUKZWCSZSZKRRY-AWEZNQCLSA-N -1 3 399.411 0.378 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000737023525 598697308 /nfs/dbraw/zinc/69/73/08/598697308.db2.gz LUKZWCSZSZKRRY-AWEZNQCLSA-N -1 3 399.411 0.378 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCS(=O)CC1 ZINC000735571639 598701294 /nfs/dbraw/zinc/70/12/94/598701294.db2.gz ZQWXMPMAOCSJCY-VIFPVBQESA-N -1 3 380.499 0.808 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCS(=O)CC1 ZINC000735571639 598701296 /nfs/dbraw/zinc/70/12/96/598701296.db2.gz ZQWXMPMAOCSJCY-VIFPVBQESA-N -1 3 380.499 0.808 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](OCCO)C1 ZINC000822917112 607363196 /nfs/dbraw/zinc/36/31/96/607363196.db2.gz NRRXVUYFJMJSCN-DLBZAZTESA-N -1 3 386.456 0.835 20 0 GCADHM O=C(CN1CCCC[C@@H]1CN1CCCC1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737876695 598707209 /nfs/dbraw/zinc/70/72/09/598707209.db2.gz JPCVZWSSSHKVOJ-QGZVFWFLSA-N -1 3 397.483 0.960 20 0 GCADHM Cc1n[nH]cc1S(=O)(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737201780 598710034 /nfs/dbraw/zinc/71/00/34/598710034.db2.gz IQILTYRPRWJMOC-UHFFFAOYSA-N -1 3 392.420 0.548 20 0 GCADHM Cc1n[nH]cc1S(=O)(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737201780 598710035 /nfs/dbraw/zinc/71/00/35/598710035.db2.gz IQILTYRPRWJMOC-UHFFFAOYSA-N -1 3 392.420 0.548 20 0 GCADHM CC(C)c1nnc2n1CCN(S(=O)(=O)Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC000735952071 598712012 /nfs/dbraw/zinc/71/20/12/598712012.db2.gz CQWSDSSKXBYIMS-UHFFFAOYSA-N -1 3 388.457 0.927 20 0 GCADHM CC(C)c1nnc2n1CCN(S(=O)(=O)Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC000735952071 598712014 /nfs/dbraw/zinc/71/20/14/598712014.db2.gz CQWSDSSKXBYIMS-UHFFFAOYSA-N -1 3 388.457 0.927 20 0 GCADHM CC(C)[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(N)=O ZINC000735735813 598714423 /nfs/dbraw/zinc/71/44/23/598714423.db2.gz VRXCWYJOEZUFQV-LBPRGKRZSA-N -1 3 378.414 0.722 20 0 GCADHM CC(C)[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(N)=O ZINC000735735813 598714425 /nfs/dbraw/zinc/71/44/25/598714425.db2.gz VRXCWYJOEZUFQV-LBPRGKRZSA-N -1 3 378.414 0.722 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736877400 598715118 /nfs/dbraw/zinc/71/51/18/598715118.db2.gz KHVASGGNQNENAX-UHFFFAOYSA-N -1 3 395.379 0.095 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736877400 598715120 /nfs/dbraw/zinc/71/51/20/598715120.db2.gz KHVASGGNQNENAX-UHFFFAOYSA-N -1 3 395.379 0.095 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736881569 598715619 /nfs/dbraw/zinc/71/56/19/598715619.db2.gz DDCUEHWEFYXKME-UHFFFAOYSA-N -1 3 379.446 0.090 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736881569 598715621 /nfs/dbraw/zinc/71/56/21/598715621.db2.gz DDCUEHWEFYXKME-UHFFFAOYSA-N -1 3 379.446 0.090 20 0 GCADHM O=C([C@@H](O)c1cccnc1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737781182 598717804 /nfs/dbraw/zinc/71/78/04/598717804.db2.gz IKLHOHIVLIMQND-KRWDZBQOSA-N -1 3 379.424 0.640 20 0 GCADHM Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)on1 ZINC000737272712 598718328 /nfs/dbraw/zinc/71/83/28/598718328.db2.gz XXIVTTUZTRFREA-KRWDZBQOSA-N -1 3 396.367 0.569 20 0 GCADHM CCN(CC(=O)OC)CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736514539 598722759 /nfs/dbraw/zinc/72/27/59/598722759.db2.gz ZQQLJOUSXURKMZ-KRWDZBQOSA-N -1 3 387.400 0.086 20 0 GCADHM CCN(CC(=O)OC)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736514539 598722760 /nfs/dbraw/zinc/72/27/60/598722760.db2.gz ZQQLJOUSXURKMZ-KRWDZBQOSA-N -1 3 387.400 0.086 20 0 GCADHM CCCNC(=O)CCC(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736483823 598722803 /nfs/dbraw/zinc/72/28/03/598722803.db2.gz QERRECTUQQBXHE-AWEZNQCLSA-N -1 3 386.412 0.822 20 0 GCADHM CCCNC(=O)CCC(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736483823 598722804 /nfs/dbraw/zinc/72/28/04/598722804.db2.gz QERRECTUQQBXHE-AWEZNQCLSA-N -1 3 386.412 0.822 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736171135 598722850 /nfs/dbraw/zinc/72/28/50/598722850.db2.gz ZZAPATDSZAFPOX-ABAIWWIYSA-N -1 3 397.395 0.716 20 0 GCADHM C[C@@H](OC(=O)[C@H]1CNC(=O)N1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736153938 598722869 /nfs/dbraw/zinc/72/28/69/598722869.db2.gz SCRJCLHJOYAJCX-LHLIQPBNSA-N -1 3 379.764 0.072 20 0 GCADHM C[C@@H](OC(=O)[C@H]1CNC(=O)N1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736153938 598722870 /nfs/dbraw/zinc/72/28/70/598722870.db2.gz SCRJCLHJOYAJCX-LHLIQPBNSA-N -1 3 379.764 0.072 20 0 GCADHM COc1cccc([C@@H](O)C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737126247 598723165 /nfs/dbraw/zinc/72/31/65/598723165.db2.gz FLTBHSYUYDWTKS-QGZVFWFLSA-N -1 3 397.391 0.768 20 0 GCADHM COc1cccc([C@@H](O)C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737126247 598723168 /nfs/dbraw/zinc/72/31/68/598723168.db2.gz FLTBHSYUYDWTKS-QGZVFWFLSA-N -1 3 397.391 0.768 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737610749 598723490 /nfs/dbraw/zinc/72/34/90/598723490.db2.gz QNKJZLCFBXPWRY-XHPSBEMXSA-N -1 3 379.380 0.962 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737610749 598723491 /nfs/dbraw/zinc/72/34/91/598723491.db2.gz QNKJZLCFBXPWRY-XHPSBEMXSA-N -1 3 379.380 0.962 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCS(=O)(=O)CC1 ZINC000735570227 598723787 /nfs/dbraw/zinc/72/37/87/598723787.db2.gz LIZLSPXMDDMEHF-VIFPVBQESA-N -1 3 396.498 0.474 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCS(=O)(=O)CC1 ZINC000735570227 598723788 /nfs/dbraw/zinc/72/37/88/598723788.db2.gz LIZLSPXMDDMEHF-VIFPVBQESA-N -1 3 396.498 0.474 20 0 GCADHM CCn1nc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000736728915 598724503 /nfs/dbraw/zinc/72/45/03/598724503.db2.gz QAEQAXOOMVPYSE-JTQLQIEISA-N -1 3 383.368 0.627 20 0 GCADHM CCn1nc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000736728915 598724506 /nfs/dbraw/zinc/72/45/06/598724506.db2.gz QAEQAXOOMVPYSE-JTQLQIEISA-N -1 3 383.368 0.627 20 0 GCADHM CCNC(=O)NC(=O)COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736576473 598725615 /nfs/dbraw/zinc/72/56/15/598725615.db2.gz USCIDCKZMRTQLH-UHFFFAOYSA-N -1 3 390.400 0.805 20 0 GCADHM CCNC(=O)NC(=O)COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736576473 598725617 /nfs/dbraw/zinc/72/56/17/598725617.db2.gz USCIDCKZMRTQLH-UHFFFAOYSA-N -1 3 390.400 0.805 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000737055506 598727548 /nfs/dbraw/zinc/72/75/48/598727548.db2.gz GNTNVPOUANDEAC-AWEZNQCLSA-N -1 3 396.411 0.911 20 0 GCADHM NC(=O)c1ccc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000737758640 598731231 /nfs/dbraw/zinc/73/12/31/598731231.db2.gz AXITZGBGZNRSSE-UHFFFAOYSA-N -1 3 385.363 0.733 20 0 GCADHM NC(=O)c1ccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000737758640 598731232 /nfs/dbraw/zinc/73/12/32/598731232.db2.gz AXITZGBGZNRSSE-UHFFFAOYSA-N -1 3 385.363 0.733 20 0 GCADHM CCOCCN1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736619601 598732250 /nfs/dbraw/zinc/73/22/50/598732250.db2.gz RIFMSBUGGGRWCD-UHFFFAOYSA-N -1 3 377.424 0.870 20 0 GCADHM CCOCCN1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736619601 598732252 /nfs/dbraw/zinc/73/22/52/598732252.db2.gz RIFMSBUGGGRWCD-UHFFFAOYSA-N -1 3 377.424 0.870 20 0 GCADHM COCCc1noc(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000737014221 598733264 /nfs/dbraw/zinc/73/32/64/598733264.db2.gz NYJSADAJGFNXDA-KRWDZBQOSA-N -1 3 398.383 0.406 20 0 GCADHM COCCc1noc(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000737014221 598733265 /nfs/dbraw/zinc/73/32/65/598733265.db2.gz NYJSADAJGFNXDA-KRWDZBQOSA-N -1 3 398.383 0.406 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1OC)C2 ZINC000736710163 598734187 /nfs/dbraw/zinc/73/41/87/598734187.db2.gz FCDQAXVWVLNOJM-UHFFFAOYSA-N -1 3 397.399 0.010 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1OC)C2 ZINC000736710163 598734188 /nfs/dbraw/zinc/73/41/88/598734188.db2.gz FCDQAXVWVLNOJM-UHFFFAOYSA-N -1 3 397.399 0.010 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737130852 598734276 /nfs/dbraw/zinc/73/42/76/598734276.db2.gz ZBFOIOYQXNPPLQ-OAHLLOKOSA-N -1 3 382.380 0.664 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737130852 598734277 /nfs/dbraw/zinc/73/42/77/598734277.db2.gz ZBFOIOYQXNPPLQ-OAHLLOKOSA-N -1 3 382.380 0.664 20 0 GCADHM Cn1c2ccccc2n(CC(=O)OCCNc2ncccc2-c2nnn[n-]2)c1=O ZINC000737591405 598737099 /nfs/dbraw/zinc/73/70/99/598737099.db2.gz RZHCNWWAKJELLB-UHFFFAOYSA-N -1 3 394.395 0.570 20 0 GCADHM Cn1c2ccccc2n(CC(=O)OCCNc2ncccc2-c2nn[n-]n2)c1=O ZINC000737591405 598737100 /nfs/dbraw/zinc/73/71/00/598737100.db2.gz RZHCNWWAKJELLB-UHFFFAOYSA-N -1 3 394.395 0.570 20 0 GCADHM CS(=O)(=O)N1CCC[C@H]1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737165138 598740119 /nfs/dbraw/zinc/74/01/19/598740119.db2.gz GKJJKOUWZMNBMV-ZDUSSCGKSA-N -1 3 381.414 0.213 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736167298 598743109 /nfs/dbraw/zinc/74/31/09/598743109.db2.gz FAZBYTVCVBBEHQ-CABZTGNLSA-N -1 3 398.345 0.913 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737445719 598743386 /nfs/dbraw/zinc/74/33/86/598743386.db2.gz UBQDPQCWCCPTDX-INIZCTEOSA-N -1 3 382.428 0.711 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737759499 598743783 /nfs/dbraw/zinc/74/37/83/598743783.db2.gz DBSPQXGPYVRSQT-GFCCVEGCSA-N -1 3 378.396 0.369 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737759499 598743785 /nfs/dbraw/zinc/74/37/85/598743785.db2.gz DBSPQXGPYVRSQT-GFCCVEGCSA-N -1 3 378.396 0.369 20 0 GCADHM COC[C@@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC000736967860 598749957 /nfs/dbraw/zinc/74/99/57/598749957.db2.gz MXGYPJLLWIZXFN-GFCCVEGCSA-N -1 3 384.444 0.966 20 0 GCADHM COC[C@@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000736967860 598749958 /nfs/dbraw/zinc/74/99/58/598749958.db2.gz MXGYPJLLWIZXFN-GFCCVEGCSA-N -1 3 384.444 0.966 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736036710 598754421 /nfs/dbraw/zinc/75/44/21/598754421.db2.gz AAJKXQSOFKBBTH-LLVKDONJSA-N -1 3 383.499 0.991 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736036710 598754423 /nfs/dbraw/zinc/75/44/23/598754423.db2.gz AAJKXQSOFKBBTH-LLVKDONJSA-N -1 3 383.499 0.991 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000737026525 598754805 /nfs/dbraw/zinc/75/48/05/598754805.db2.gz XWKARZUVEKUYQP-SNVBAGLBSA-N -1 3 383.430 0.146 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000737026525 598754806 /nfs/dbraw/zinc/75/48/06/598754806.db2.gz XWKARZUVEKUYQP-SNVBAGLBSA-N -1 3 383.430 0.146 20 0 GCADHM COC(=O)c1ncn(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000736956728 598755783 /nfs/dbraw/zinc/75/57/83/598755783.db2.gz JDHVARKGXDUOBW-UHFFFAOYSA-N -1 3 384.400 0.746 20 0 GCADHM CCNC(=O)CN(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736574634 598758486 /nfs/dbraw/zinc/75/84/86/598758486.db2.gz TVMGQNNDTPCCJL-UHFFFAOYSA-N -1 3 377.474 0.813 20 0 GCADHM CC(=O)N(C)C1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735459011 598760046 /nfs/dbraw/zinc/76/00/46/598760046.db2.gz VAVJEOCGSRHECV-QGZVFWFLSA-N -1 3 383.456 0.915 20 0 GCADHM CCc1c(C)sc(NC(=O)Cn2ncn3nccc3c2=O)c1-c1nnn[n-]1 ZINC000736677012 598763997 /nfs/dbraw/zinc/76/39/97/598763997.db2.gz XYKDXCUKWYIZFV-UHFFFAOYSA-N -1 3 385.413 0.642 20 0 GCADHM CCc1c(C)sc(NC(=O)Cn2ncn3nccc3c2=O)c1-c1nn[n-]n1 ZINC000736677012 598763998 /nfs/dbraw/zinc/76/39/98/598763998.db2.gz XYKDXCUKWYIZFV-UHFFFAOYSA-N -1 3 385.413 0.642 20 0 GCADHM O=C(CCN1CCS(=O)(=O)CC1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737846314 598764507 /nfs/dbraw/zinc/76/45/07/598764507.db2.gz JEKHQOHDHFMYRR-UHFFFAOYSA-N -1 3 396.498 0.476 20 0 GCADHM O=C(CCN1CCS(=O)(=O)CC1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737846314 598764508 /nfs/dbraw/zinc/76/45/08/598764508.db2.gz JEKHQOHDHFMYRR-UHFFFAOYSA-N -1 3 396.498 0.476 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(C(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000737742912 598765264 /nfs/dbraw/zinc/76/52/64/598765264.db2.gz HRGVKVJOZKDEBJ-ZDUSSCGKSA-N -1 3 378.392 0.936 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737742912 598765266 /nfs/dbraw/zinc/76/52/66/598765266.db2.gz HRGVKVJOZKDEBJ-ZDUSSCGKSA-N -1 3 378.392 0.936 20 0 GCADHM O=C(CN1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)NC(=O)NC1CC1 ZINC000737874467 598767052 /nfs/dbraw/zinc/76/70/52/598767052.db2.gz CUPCNPJBLVUQFU-UHFFFAOYSA-N -1 3 385.428 0.698 20 0 GCADHM CNC(=O)CN1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000736874396 598770573 /nfs/dbraw/zinc/77/05/73/598770573.db2.gz PZAIVBPQWDKCDM-UHFFFAOYSA-N -1 3 388.382 0.561 20 0 GCADHM CNC(=O)CN1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000736874396 598770575 /nfs/dbraw/zinc/77/05/75/598770575.db2.gz PZAIVBPQWDKCDM-UHFFFAOYSA-N -1 3 388.382 0.561 20 0 GCADHM Cc1cc(=O)n2nc(COC(=O)COc3ccccc3-c3nnn[n-]3)sc2n1 ZINC000737225602 598774692 /nfs/dbraw/zinc/77/46/92/598774692.db2.gz FHEAHMRSVBGAPJ-UHFFFAOYSA-N -1 3 399.392 0.762 20 0 GCADHM Cc1cc(=O)n2nc(COC(=O)COc3ccccc3-c3nn[n-]n3)sc2n1 ZINC000737225602 598774694 /nfs/dbraw/zinc/77/46/94/598774694.db2.gz FHEAHMRSVBGAPJ-UHFFFAOYSA-N -1 3 399.392 0.762 20 0 GCADHM O=C(CN1CCC[C@H](N2CCCCC2=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737877317 598775571 /nfs/dbraw/zinc/77/55/71/598775571.db2.gz WBWFUAGVNLUQAS-KRWDZBQOSA-N -1 3 397.483 0.960 20 0 GCADHM NC(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737744747 598777191 /nfs/dbraw/zinc/77/71/91/598777191.db2.gz AVLLNWLRIOKIFQ-UHFFFAOYSA-N -1 3 386.437 0.684 20 0 GCADHM NC(=O)CN(Cc1ccccc1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737744747 598777192 /nfs/dbraw/zinc/77/71/92/598777192.db2.gz AVLLNWLRIOKIFQ-UHFFFAOYSA-N -1 3 386.437 0.684 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H]1Cn1cncn1 ZINC000738076625 598778562 /nfs/dbraw/zinc/77/85/62/598778562.db2.gz YPTKGGMGRZMIQO-ZDUSSCGKSA-N -1 3 383.420 0.139 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H]1Cn1cncn1 ZINC000738076625 598778564 /nfs/dbraw/zinc/77/85/64/598778564.db2.gz YPTKGGMGRZMIQO-ZDUSSCGKSA-N -1 3 383.420 0.139 20 0 GCADHM Cc1nn(-c2ccccc2)c(COC(=O)C2(O)CCOCC2)c1-c1nnn[n-]1 ZINC000737502790 598780849 /nfs/dbraw/zinc/78/08/49/598780849.db2.gz APHOOUASARLYBQ-UHFFFAOYSA-N -1 3 384.396 0.946 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)[C@@H](C)CC ZINC000736636139 598783987 /nfs/dbraw/zinc/78/39/87/598783987.db2.gz PAGANDMLNUMAIN-GWCFXTLKSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)[C@@H](C)CC ZINC000736636139 598783988 /nfs/dbraw/zinc/78/39/88/598783988.db2.gz PAGANDMLNUMAIN-GWCFXTLKSA-N -1 3 376.417 0.727 20 0 GCADHM CCC[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736438447 598784122 /nfs/dbraw/zinc/78/41/22/598784122.db2.gz ZULNNZSBXITTOO-VIFPVBQESA-N -1 3 384.343 0.684 20 0 GCADHM CCC[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736438447 598784123 /nfs/dbraw/zinc/78/41/23/598784123.db2.gz ZULNNZSBXITTOO-VIFPVBQESA-N -1 3 384.343 0.684 20 0 GCADHM CCOc1ncc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1Cl ZINC000736654833 598785265 /nfs/dbraw/zinc/78/52/65/598785265.db2.gz JQUUGCVUMKCITG-UHFFFAOYSA-N -1 3 378.780 0.950 20 0 GCADHM CCOc1ncc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1Cl ZINC000736654833 598785266 /nfs/dbraw/zinc/78/52/66/598785266.db2.gz JQUUGCVUMKCITG-UHFFFAOYSA-N -1 3 378.780 0.950 20 0 GCADHM O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738038300 598793891 /nfs/dbraw/zinc/79/38/91/598793891.db2.gz YNCSTVOQBLCJHV-HIFRSBDPSA-N -1 3 379.428 0.558 20 0 GCADHM C[C@H](NC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C(=O)N(C)C ZINC000736110877 598799845 /nfs/dbraw/zinc/79/98/45/598799845.db2.gz CMUGAVCUQGPHAK-LBPRGKRZSA-N -1 3 387.444 0.896 20 0 GCADHM C[C@H](NC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C(=O)N(C)C ZINC000736110877 598799846 /nfs/dbraw/zinc/79/98/46/598799846.db2.gz CMUGAVCUQGPHAK-LBPRGKRZSA-N -1 3 387.444 0.896 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OCC1CCOCC1 ZINC000737896081 598800811 /nfs/dbraw/zinc/80/08/11/598800811.db2.gz SMQCDUOBYMVENN-UHFFFAOYSA-N -1 3 381.414 0.115 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OCC1CCOCC1 ZINC000737896081 598800812 /nfs/dbraw/zinc/80/08/12/598800812.db2.gz SMQCDUOBYMVENN-UHFFFAOYSA-N -1 3 381.414 0.115 20 0 GCADHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736160935 598801529 /nfs/dbraw/zinc/80/15/29/598801529.db2.gz AJIQACOEEFHHMP-GWCFXTLKSA-N -1 3 393.425 0.058 20 0 GCADHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736160935 598801530 /nfs/dbraw/zinc/80/15/30/598801530.db2.gz AJIQACOEEFHHMP-GWCFXTLKSA-N -1 3 393.425 0.058 20 0 GCADHM CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)ccc2c1=O ZINC000736712319 598803607 /nfs/dbraw/zinc/80/36/07/598803607.db2.gz CWIXUDPLRFRSAB-UHFFFAOYSA-N -1 3 378.352 0.949 20 0 GCADHM CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)ccc2c1=O ZINC000736712319 598803609 /nfs/dbraw/zinc/80/36/09/598803609.db2.gz CWIXUDPLRFRSAB-UHFFFAOYSA-N -1 3 378.352 0.949 20 0 GCADHM C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC000735525820 598804666 /nfs/dbraw/zinc/80/46/66/598804666.db2.gz QHEMHJTWXBGSMF-GXFFZTMASA-N -1 3 399.440 0.559 20 0 GCADHM C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC000735525820 598804668 /nfs/dbraw/zinc/80/46/68/598804668.db2.gz QHEMHJTWXBGSMF-GXFFZTMASA-N -1 3 399.440 0.559 20 0 GCADHM CCc1c(C)sc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c1-c1nnn[n-]1 ZINC000736670411 598805361 /nfs/dbraw/zinc/80/53/61/598805361.db2.gz PBRPKALAQNUEIV-UHFFFAOYSA-N -1 3 377.386 0.158 20 0 GCADHM CCc1c(C)sc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c1-c1nn[n-]n1 ZINC000736670411 598805362 /nfs/dbraw/zinc/80/53/62/598805362.db2.gz PBRPKALAQNUEIV-UHFFFAOYSA-N -1 3 377.386 0.158 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735465942 598805888 /nfs/dbraw/zinc/80/58/88/598805888.db2.gz CHMNCKVPUADFDL-ZDUSSCGKSA-N -1 3 384.425 0.912 20 0 GCADHM O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737815101 598809002 /nfs/dbraw/zinc/80/90/02/598809002.db2.gz RNQGJWCGXODIBI-NSHDSACASA-N -1 3 385.409 0.939 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC(CS(N)(=O)=O)CC1 ZINC000735562671 598809152 /nfs/dbraw/zinc/80/91/52/598809152.db2.gz PQYAMDFMIJYVCV-NSHDSACASA-N -1 3 393.473 0.194 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC(CS(N)(=O)=O)CC1 ZINC000735562671 598809153 /nfs/dbraw/zinc/80/91/53/598809153.db2.gz PQYAMDFMIJYVCV-NSHDSACASA-N -1 3 393.473 0.194 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC(CS(N)(=O)=O)CC1 ZINC000735560036 598809187 /nfs/dbraw/zinc/80/91/87/598809187.db2.gz OKAYUCUYJJMVLU-NSHDSACASA-N -1 3 393.473 0.194 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC(CS(N)(=O)=O)CC1 ZINC000735560036 598809188 /nfs/dbraw/zinc/80/91/88/598809188.db2.gz OKAYUCUYJJMVLU-NSHDSACASA-N -1 3 393.473 0.194 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737005771 598812310 /nfs/dbraw/zinc/81/23/10/598812310.db2.gz UJVSRNYOESWUMU-UHFFFAOYSA-N -1 3 393.835 0.249 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737005771 598812311 /nfs/dbraw/zinc/81/23/11/598812311.db2.gz UJVSRNYOESWUMU-UHFFFAOYSA-N -1 3 393.835 0.249 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735747043 598812339 /nfs/dbraw/zinc/81/23/39/598812339.db2.gz OUPFMRGIIYMZDQ-GFCCVEGCSA-N -1 3 384.849 0.665 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735747043 598812342 /nfs/dbraw/zinc/81/23/42/598812342.db2.gz OUPFMRGIIYMZDQ-GFCCVEGCSA-N -1 3 384.849 0.665 20 0 GCADHM O=C(CNCC(F)(F)F)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737896143 598812376 /nfs/dbraw/zinc/81/23/76/598812376.db2.gz WSPVFIWLRRHKOV-UHFFFAOYSA-N -1 3 387.341 0.806 20 0 GCADHM O=C(CNCC(F)(F)F)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737893982 598812539 /nfs/dbraw/zinc/81/25/39/598812539.db2.gz AGKUGFBTETXAKG-UHFFFAOYSA-N -1 3 384.366 0.499 20 0 GCADHM O=C(CNCC(F)(F)F)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737893982 598812541 /nfs/dbraw/zinc/81/25/41/598812541.db2.gz AGKUGFBTETXAKG-UHFFFAOYSA-N -1 3 384.366 0.499 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000736185966 598813054 /nfs/dbraw/zinc/81/30/54/598813054.db2.gz WQNPNRBGRAFKLU-LLVKDONJSA-N -1 3 381.458 0.964 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000736185966 598813056 /nfs/dbraw/zinc/81/30/56/598813056.db2.gz WQNPNRBGRAFKLU-LLVKDONJSA-N -1 3 381.458 0.964 20 0 GCADHM O=C(c1cocn1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738282440 598816201 /nfs/dbraw/zinc/81/62/01/598816201.db2.gz AKZMHMGOEVWHME-UHFFFAOYSA-N -1 3 389.397 0.001 20 0 GCADHM O=C(c1cocn1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738282440 598816202 /nfs/dbraw/zinc/81/62/02/598816202.db2.gz AKZMHMGOEVWHME-UHFFFAOYSA-N -1 3 389.397 0.001 20 0 GCADHM O=C(COC(=O)[C@H](CO)NC(=O)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415161 607367513 /nfs/dbraw/zinc/36/75/13/607367513.db2.gz UJAAVUXJRNQBJT-HNNXBMFYSA-N -1 3 395.375 0.384 20 0 GCADHM CCN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000736510737 598820084 /nfs/dbraw/zinc/82/00/84/598820084.db2.gz IHWIQKIABYDXFJ-LBPRGKRZSA-N -1 3 380.474 0.950 20 0 GCADHM CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000736510737 598820086 /nfs/dbraw/zinc/82/00/86/598820086.db2.gz IHWIQKIABYDXFJ-LBPRGKRZSA-N -1 3 380.474 0.950 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736655744 598820178 /nfs/dbraw/zinc/82/01/78/598820178.db2.gz FTHODCOTOBGFTR-OCCSQVGLSA-N -1 3 383.474 0.361 20 0 GCADHM O=C(COC(=O)[C@H](CO)NC(=O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415161 607367515 /nfs/dbraw/zinc/36/75/15/607367515.db2.gz UJAAVUXJRNQBJT-HNNXBMFYSA-N -1 3 395.375 0.384 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCCC[C@@H]1CNC(N)=O ZINC000737025046 598820826 /nfs/dbraw/zinc/82/08/26/598820826.db2.gz WZABRXFDWXCMPD-GFCCVEGCSA-N -1 3 389.416 0.304 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCCC[C@@H]1CNC(N)=O ZINC000737025046 598820828 /nfs/dbraw/zinc/82/08/28/598820828.db2.gz WZABRXFDWXCMPD-GFCCVEGCSA-N -1 3 389.416 0.304 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736883808 598821863 /nfs/dbraw/zinc/82/18/63/598821863.db2.gz RPFAQWZDWDXBJJ-JTQLQIEISA-N -1 3 381.487 0.577 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736883808 598821864 /nfs/dbraw/zinc/82/18/64/598821864.db2.gz RPFAQWZDWDXBJJ-JTQLQIEISA-N -1 3 381.487 0.577 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)COc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736037049 598823053 /nfs/dbraw/zinc/82/30/53/598823053.db2.gz CPAMTSMAIUZXPQ-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)COc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736037049 598823054 /nfs/dbraw/zinc/82/30/54/598823054.db2.gz CPAMTSMAIUZXPQ-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM O=C(Cc1cnn(-c2ccccc2)n1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737975488 599297821 /nfs/dbraw/zinc/29/78/21/599297821.db2.gz POWMGHIFTQNRSI-UHFFFAOYSA-N -1 3 394.424 0.931 20 0 GCADHM O=C(Cc1cnn(-c2ccccc2)n1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737975488 599297822 /nfs/dbraw/zinc/29/78/22/599297822.db2.gz POWMGHIFTQNRSI-UHFFFAOYSA-N -1 3 394.424 0.931 20 0 GCADHM CC(C)CN1C[C@H](C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)CC1=O ZINC000735832314 599298096 /nfs/dbraw/zinc/29/80/96/599298096.db2.gz ZNMIQMHBPNYVTP-SECBINFHSA-N -1 3 376.446 0.612 20 0 GCADHM CC(C)CN1C[C@H](C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)CC1=O ZINC000735832314 599298099 /nfs/dbraw/zinc/29/80/99/599298099.db2.gz ZNMIQMHBPNYVTP-SECBINFHSA-N -1 3 376.446 0.612 20 0 GCADHM CCOC(=O)N1CCC[C@H](C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)C1 ZINC000736601381 599298699 /nfs/dbraw/zinc/29/86/99/599298699.db2.gz WFJZXMVOKJUPIZ-VIFPVBQESA-N -1 3 392.445 0.976 20 0 GCADHM CCOC(=O)N1CCC[C@H](C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)C1 ZINC000736601381 599298701 /nfs/dbraw/zinc/29/87/01/599298701.db2.gz WFJZXMVOKJUPIZ-VIFPVBQESA-N -1 3 392.445 0.976 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000443030562 599299769 /nfs/dbraw/zinc/29/97/69/599299769.db2.gz YNYDQHXZPIKPMX-LLVKDONJSA-N -1 3 398.876 0.615 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000443030562 599299773 /nfs/dbraw/zinc/29/97/73/599299773.db2.gz YNYDQHXZPIKPMX-LLVKDONJSA-N -1 3 398.876 0.615 20 0 GCADHM c1cc(-c2nnc(CN3CC[C@H](N4CCOCC4)C3)o2)ccc1-c1nnn[n-]1 ZINC000738405537 599300428 /nfs/dbraw/zinc/30/04/28/599300428.db2.gz RCOQOEMWZCUSIO-HNNXBMFYSA-N -1 3 382.428 0.823 20 0 GCADHM c1cc(-c2nnc(CN3CC[C@H](N4CCOCC4)C3)o2)ccc1-c1nn[n-]n1 ZINC000738405537 599300430 /nfs/dbraw/zinc/30/04/30/599300430.db2.gz RCOQOEMWZCUSIO-HNNXBMFYSA-N -1 3 382.428 0.823 20 0 GCADHM Cc1oc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737552868 599301962 /nfs/dbraw/zinc/30/19/62/599301962.db2.gz RPEFTVNGLWTAFK-ZDUSSCGKSA-N -1 3 375.433 0.422 20 0 GCADHM Cc1oc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000737552868 599301965 /nfs/dbraw/zinc/30/19/65/599301965.db2.gz RPEFTVNGLWTAFK-ZDUSSCGKSA-N -1 3 375.433 0.422 20 0 GCADHM CCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505840 599311854 /nfs/dbraw/zinc/31/18/54/599311854.db2.gz SPOKBEDSMRDIAW-SFHVURJKSA-N -1 3 383.412 0.940 20 0 GCADHM CCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505840 599311857 /nfs/dbraw/zinc/31/18/57/599311857.db2.gz SPOKBEDSMRDIAW-SFHVURJKSA-N -1 3 383.412 0.940 20 0 GCADHM CC(C)(C)OC(=O)N(CC(=O)n1ncc(-c2nnn[n-]2)c1N)C[C@@H]1CCCO1 ZINC000819928259 599315432 /nfs/dbraw/zinc/31/54/32/599315432.db2.gz MPFSLHKIIYEECQ-JTQLQIEISA-N -1 3 392.420 0.702 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000737756132 599316497 /nfs/dbraw/zinc/31/64/97/599316497.db2.gz SKRRBTYRSFWNHW-LBPRGKRZSA-N -1 3 395.427 0.507 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)C2)n[nH]1 ZINC000737755616 599316779 /nfs/dbraw/zinc/31/67/79/599316779.db2.gz NIJLZJUJUUEKQY-LBPRGKRZSA-N -1 3 396.411 0.474 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)C2)n[nH]1 ZINC000737755616 599316786 /nfs/dbraw/zinc/31/67/86/599316786.db2.gz NIJLZJUJUUEKQY-LBPRGKRZSA-N -1 3 396.411 0.474 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000737755195 599316873 /nfs/dbraw/zinc/31/68/73/599316873.db2.gz KVJIUXDQDOMGOD-GFCCVEGCSA-N -1 3 395.427 0.507 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CCCC(=O)OC ZINC000737003532 599324408 /nfs/dbraw/zinc/32/44/08/599324408.db2.gz XJZTUBKWBCZSTF-UHFFFAOYSA-N -1 3 397.457 0.598 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCCC(=O)OC ZINC000737003532 599324411 /nfs/dbraw/zinc/32/44/11/599324411.db2.gz XJZTUBKWBCZSTF-UHFFFAOYSA-N -1 3 397.457 0.598 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737898369 599335903 /nfs/dbraw/zinc/33/59/03/599335903.db2.gz JFIUPSHDYMLWJO-LLVKDONJSA-N -1 3 384.318 0.985 20 0 GCADHM CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000819802661 599336913 /nfs/dbraw/zinc/33/69/13/599336913.db2.gz HBXILMDPGZDLGQ-LLVKDONJSA-N -1 3 384.849 0.809 20 0 GCADHM O=S(=O)(CC1CCOCC1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823557813 599337050 /nfs/dbraw/zinc/33/70/50/599337050.db2.gz RDFCHWOMOXSUQE-UHFFFAOYSA-N -1 3 393.473 0.140 20 0 GCADHM O=S(=O)(CC1CCOCC1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823557813 599337052 /nfs/dbraw/zinc/33/70/52/599337052.db2.gz RDFCHWOMOXSUQE-UHFFFAOYSA-N -1 3 393.473 0.140 20 0 GCADHM COC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000821664603 599340758 /nfs/dbraw/zinc/34/07/58/599340758.db2.gz AGUBCMKJJDDJDM-UHFFFAOYSA-N -1 3 386.821 0.593 20 0 GCADHM CCOC(=O)C(=O)N1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736587786 599343854 /nfs/dbraw/zinc/34/38/54/599343854.db2.gz YXTGNXBTGGQQSO-BQYQJAHWSA-N -1 3 384.396 0.114 20 0 GCADHM CCOC(=O)C(=O)N1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736587786 599343855 /nfs/dbraw/zinc/34/38/55/599343855.db2.gz YXTGNXBTGGQQSO-BQYQJAHWSA-N -1 3 384.396 0.114 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820293799 599344804 /nfs/dbraw/zinc/34/48/04/599344804.db2.gz OHGNHDINSFUYEL-QMMMGPOBSA-N -1 3 393.878 0.574 20 0 GCADHM CN([C@@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821592431 599349952 /nfs/dbraw/zinc/34/99/52/599349952.db2.gz FOKBNIFYCUCPIC-ZIAGYGMSSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821592431 599349955 /nfs/dbraw/zinc/34/99/55/599349955.db2.gz FOKBNIFYCUCPIC-ZIAGYGMSSA-N -1 3 399.498 0.843 20 0 GCADHM C[C@H](Oc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1)C(N)=O ZINC000820533228 599350814 /nfs/dbraw/zinc/35/08/14/599350814.db2.gz CJDXRJLCPZASNF-JTQLQIEISA-N -1 3 389.393 0.887 20 0 GCADHM C[C@H](Oc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1)C(N)=O ZINC000820533228 599350815 /nfs/dbraw/zinc/35/08/15/599350815.db2.gz CJDXRJLCPZASNF-JTQLQIEISA-N -1 3 389.393 0.887 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000736881561 599352141 /nfs/dbraw/zinc/35/21/41/599352141.db2.gz CREMGNQFYFQVTF-NSHDSACASA-N -1 3 395.445 0.421 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000736881561 599352142 /nfs/dbraw/zinc/35/21/42/599352142.db2.gz CREMGNQFYFQVTF-NSHDSACASA-N -1 3 395.445 0.421 20 0 GCADHM C[C@@H](NC(=O)N1CCC(CS(N)(=O)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115668 599352365 /nfs/dbraw/zinc/35/23/65/599352365.db2.gz ZFENRLOXLIYVFH-LLVKDONJSA-N -1 3 393.473 0.638 20 0 GCADHM C[C@@H](NC(=O)N1CCC(CS(N)(=O)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115668 599352367 /nfs/dbraw/zinc/35/23/67/599352367.db2.gz ZFENRLOXLIYVFH-LLVKDONJSA-N -1 3 393.473 0.638 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824092970 607370898 /nfs/dbraw/zinc/37/08/98/607370898.db2.gz CMIXRUKOVCUYBU-UHFFFAOYSA-N -1 3 381.414 0.311 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824092970 607370899 /nfs/dbraw/zinc/37/08/99/607370899.db2.gz CMIXRUKOVCUYBU-UHFFFAOYSA-N -1 3 381.414 0.311 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000820767250 599355728 /nfs/dbraw/zinc/35/57/28/599355728.db2.gz GVJLEXPXCYOHRW-TXEJJXNPSA-N -1 3 382.446 0.189 20 0 GCADHM O=C(CN1CCc2n[nH]cc2C1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737885433 599358440 /nfs/dbraw/zinc/35/84/40/599358440.db2.gz ZTOUZMOACZNNEM-UHFFFAOYSA-N -1 3 390.411 0.772 20 0 GCADHM O=C([C@@H](O)C1CCOCC1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737783865 599360622 /nfs/dbraw/zinc/36/06/22/599360622.db2.gz UHUVXKROOGBKII-INIZCTEOSA-N -1 3 390.419 0.442 20 0 GCADHM CC1(CN2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)COC1 ZINC000736213201 599362670 /nfs/dbraw/zinc/36/26/70/599362670.db2.gz FHOYKXBFZWFYDX-UHFFFAOYSA-N -1 3 378.458 0.210 20 0 GCADHM CC1(CN2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)COC1 ZINC000736213201 599362673 /nfs/dbraw/zinc/36/26/73/599362673.db2.gz FHOYKXBFZWFYDX-UHFFFAOYSA-N -1 3 378.458 0.210 20 0 GCADHM C[C@H](OC(=O)[C@H](O)C1CCOCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736149548 599365906 /nfs/dbraw/zinc/36/59/06/599365906.db2.gz HDNOMNHFYIQVOO-IINYFYTJSA-N -1 3 375.385 0.524 20 0 GCADHM C[C@H](OC(=O)[C@H](O)C1CCOCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736149548 599365909 /nfs/dbraw/zinc/36/59/09/599365909.db2.gz HDNOMNHFYIQVOO-IINYFYTJSA-N -1 3 375.385 0.524 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000737894171 599366495 /nfs/dbraw/zinc/36/64/95/599366495.db2.gz 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Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC(C)(C)CCS(C)(=O)=O ZINC000822144458 599372518 /nfs/dbraw/zinc/37/25/18/599372518.db2.gz MIXZLWRSAWVJPW-UHFFFAOYSA-N -1 3 387.487 0.667 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821692229 599372632 /nfs/dbraw/zinc/37/26/32/599372632.db2.gz RLPLKAGERHBVTD-NSHDSACASA-N -1 3 385.421 0.679 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821692229 599372635 /nfs/dbraw/zinc/37/26/35/599372635.db2.gz RLPLKAGERHBVTD-NSHDSACASA-N -1 3 385.421 0.679 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000822153092 599375168 /nfs/dbraw/zinc/37/51/68/599375168.db2.gz KYDZJYPLKHULMH-WQAKAFBOSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000822153092 599375170 /nfs/dbraw/zinc/37/51/70/599375170.db2.gz KYDZJYPLKHULMH-WQAKAFBOSA-N -1 3 376.442 0.463 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H](n2cncn2)C1 ZINC000823600861 599375515 /nfs/dbraw/zinc/37/55/15/599375515.db2.gz LFNMASGJSAVADK-JTQLQIEISA-N -1 3 378.393 0.623 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000822223962 599375796 /nfs/dbraw/zinc/37/57/96/599375796.db2.gz QIUQYOSMVZYTHN-CYZMBNFOSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000822223962 599375799 /nfs/dbraw/zinc/37/57/99/599375799.db2.gz QIUQYOSMVZYTHN-CYZMBNFOSA-N -1 3 376.442 0.463 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825034956 607371738 /nfs/dbraw/zinc/37/17/38/607371738.db2.gz UYKHTMREQZQDHN-GFCCVEGCSA-N -1 3 375.410 0.904 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825034956 607371740 /nfs/dbraw/zinc/37/17/40/607371740.db2.gz UYKHTMREQZQDHN-GFCCVEGCSA-N -1 3 375.410 0.904 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000737960981 599389982 /nfs/dbraw/zinc/38/99/82/599389982.db2.gz KLARSQLYVWPZQV-UHFFFAOYSA-N -1 3 390.411 0.196 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000737960981 599389985 /nfs/dbraw/zinc/38/99/85/599389985.db2.gz KLARSQLYVWPZQV-UHFFFAOYSA-N -1 3 390.411 0.196 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000736185469 599390406 /nfs/dbraw/zinc/39/04/06/599390406.db2.gz VHKKFCLQUFJIMM-SDDRHHMPSA-N -1 3 379.442 0.668 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000736185469 599390409 /nfs/dbraw/zinc/39/04/09/599390409.db2.gz VHKKFCLQUFJIMM-SDDRHHMPSA-N -1 3 379.442 0.668 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000736170703 599390598 /nfs/dbraw/zinc/39/05/98/599390598.db2.gz RLOCIKIENXTPLM-SDDRHHMPSA-N -1 3 379.442 0.668 20 0 GCADHM CN1c2cc(N[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)ccc2OCC1=O ZINC000821620170 599393676 /nfs/dbraw/zinc/39/36/76/599393676.db2.gz AOWBBIGFLHZLFB-INIZCTEOSA-N -1 3 379.380 0.860 20 0 GCADHM CN1c2cc(N[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)ccc2OCC1=O ZINC000821620170 599393678 /nfs/dbraw/zinc/39/36/78/599393678.db2.gz AOWBBIGFLHZLFB-INIZCTEOSA-N -1 3 379.380 0.860 20 0 GCADHM O=C(COC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826482133 607372776 /nfs/dbraw/zinc/37/27/76/607372776.db2.gz SOMVCYCVCJKKHU-UHFFFAOYSA-N -1 3 398.379 0.361 20 0 GCADHM O=C(COC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826482133 607372778 /nfs/dbraw/zinc/37/27/78/607372778.db2.gz SOMVCYCVCJKKHU-UHFFFAOYSA-N -1 3 398.379 0.361 20 0 GCADHM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)C1 ZINC000736226252 599398233 /nfs/dbraw/zinc/39/82/33/599398233.db2.gz WBVCALIQDMVEDI-GJZGRUSLSA-N -1 3 384.488 0.888 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826223886 607373694 /nfs/dbraw/zinc/37/36/94/607373694.db2.gz DTZODHPRJKTJQZ-UHFFFAOYSA-N -1 3 376.350 0.903 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826223886 607373696 /nfs/dbraw/zinc/37/36/96/607373696.db2.gz DTZODHPRJKTJQZ-UHFFFAOYSA-N -1 3 376.350 0.903 20 0 GCADHM CN(C)S(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000736770796 599404036 /nfs/dbraw/zinc/40/40/36/599404036.db2.gz QEASCCOAIJLFCS-UHFFFAOYSA-N -1 3 388.457 0.343 20 0 GCADHM CN(C)S(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000736770796 599404038 /nfs/dbraw/zinc/40/40/38/599404038.db2.gz QEASCCOAIJLFCS-UHFFFAOYSA-N -1 3 388.457 0.343 20 0 GCADHM C[C@H]1C[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657471 599411292 /nfs/dbraw/zinc/41/12/92/599411292.db2.gz LSGORELWNRFUKD-NHYWBVRUSA-N -1 3 395.427 0.593 20 0 GCADHM C[C@H]1C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657471 599411294 /nfs/dbraw/zinc/41/12/94/599411294.db2.gz LSGORELWNRFUKD-NHYWBVRUSA-N -1 3 395.427 0.593 20 0 GCADHM COC[C@H](C)NC(=O)NC(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821681192 607374906 /nfs/dbraw/zinc/37/49/06/607374906.db2.gz DNMTUZZECCKODX-NSHDSACASA-N -1 3 391.432 0.927 20 0 GCADHM COC[C@H](C)NC(=O)NC(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821681192 607374908 /nfs/dbraw/zinc/37/49/08/607374908.db2.gz DNMTUZZECCKODX-NSHDSACASA-N -1 3 391.432 0.927 20 0 GCADHM CC(C)OC(=O)[C@@H](C)CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820137133 599416448 /nfs/dbraw/zinc/41/64/48/599416448.db2.gz GAQGQZHKIWDHAQ-NSHDSACASA-N -1 3 376.421 0.561 20 0 GCADHM CC(C)OC(=O)[C@@H](C)CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820137133 599416450 /nfs/dbraw/zinc/41/64/50/599416450.db2.gz GAQGQZHKIWDHAQ-NSHDSACASA-N -1 3 376.421 0.561 20 0 GCADHM CN(CCCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)S(C)(=O)=O ZINC000821599069 599420264 /nfs/dbraw/zinc/42/02/64/599420264.db2.gz DXBIFBNEQLGQQY-UHFFFAOYSA-N -1 3 385.425 0.087 20 0 GCADHM CN(CCCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)S(C)(=O)=O ZINC000821599069 599420266 /nfs/dbraw/zinc/42/02/66/599420266.db2.gz DXBIFBNEQLGQQY-UHFFFAOYSA-N -1 3 385.425 0.087 20 0 GCADHM CNS(=O)(=O)c1cccc(NC(=O)CNCc2ccc(-c3nnn[n-]3)o2)c1 ZINC000821637909 599430802 /nfs/dbraw/zinc/43/08/02/599430802.db2.gz YWNLZYJUFYSEHR-UHFFFAOYSA-N -1 3 391.413 0.096 20 0 GCADHM CNS(=O)(=O)c1cccc(NC(=O)CNCc2ccc(-c3nn[n-]n3)o2)c1 ZINC000821637909 599430804 /nfs/dbraw/zinc/43/08/04/599430804.db2.gz YWNLZYJUFYSEHR-UHFFFAOYSA-N -1 3 391.413 0.096 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821441828 599437274 /nfs/dbraw/zinc/43/72/74/599437274.db2.gz POYMDMIWDHJWJD-LLVKDONJSA-N -1 3 381.462 0.556 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821441828 599437276 /nfs/dbraw/zinc/43/72/76/599437276.db2.gz POYMDMIWDHJWJD-LLVKDONJSA-N -1 3 381.462 0.556 20 0 GCADHM C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820358351 599438018 /nfs/dbraw/zinc/43/80/18/599438018.db2.gz MMCAWEWTHATPOE-SNVBAGLBSA-N -1 3 381.462 0.555 20 0 GCADHM C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820358351 599438020 /nfs/dbraw/zinc/43/80/20/599438020.db2.gz MMCAWEWTHATPOE-SNVBAGLBSA-N -1 3 381.462 0.555 20 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ZINC000820033228 599446841 /nfs/dbraw/zinc/44/68/41/599446841.db2.gz SRRFTBGZXIUVRL-GOEBONIOSA-N -1 3 385.428 0.853 20 0 GCADHM Cc1nc(CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)no1 ZINC000822444604 599449065 /nfs/dbraw/zinc/44/90/65/599449065.db2.gz VAZOTZPNOKVCMB-UHFFFAOYSA-N -1 3 387.379 0.729 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820641476 599452334 /nfs/dbraw/zinc/45/23/34/599452334.db2.gz CPRAODGXRKMLJG-DYTRLKRPSA-N -1 3 378.458 0.796 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691961 599452856 /nfs/dbraw/zinc/45/28/56/599452856.db2.gz LAOXDISMIMBTGY-CQSZACIVSA-N -1 3 390.444 0.940 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000821636695 599463569 /nfs/dbraw/zinc/46/35/69/599463569.db2.gz ZCUVOVYBNLZASW-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000821636695 599463572 /nfs/dbraw/zinc/46/35/72/599463572.db2.gz ZCUVOVYBNLZASW-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000735736635 599469510 /nfs/dbraw/zinc/46/95/10/599469510.db2.gz YGQJLVQAAVQKDE-ACJLOTCBSA-N -1 3 399.411 0.081 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000735736635 599469511 /nfs/dbraw/zinc/46/95/11/599469511.db2.gz YGQJLVQAAVQKDE-ACJLOTCBSA-N -1 3 399.411 0.081 20 0 GCADHM CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736407047 599470646 /nfs/dbraw/zinc/47/06/46/599470646.db2.gz DEOAQFBSQRRHFL-OAHLLOKOSA-N -1 3 381.444 0.695 20 0 GCADHM CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736407047 599470648 /nfs/dbraw/zinc/47/06/48/599470648.db2.gz DEOAQFBSQRRHFL-OAHLLOKOSA-N -1 3 381.444 0.695 20 0 GCADHM O=C1NC(=O)C2(CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CC2)N1 ZINC000738317121 599471307 /nfs/dbraw/zinc/47/13/07/599471307.db2.gz ZGKHJOIYMVKSEU-UHFFFAOYSA-N -1 3 382.306 0.459 20 0 GCADHM 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ZINC000822965062 599493706 /nfs/dbraw/zinc/49/37/06/599493706.db2.gz YVAOMVOYCGEEFF-UHFFFAOYSA-N -1 3 399.455 0.779 20 0 GCADHM O=C(CCN1CCCC1=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000822965062 599493709 /nfs/dbraw/zinc/49/37/09/599493709.db2.gz YVAOMVOYCGEEFF-UHFFFAOYSA-N -1 3 399.455 0.779 20 0 GCADHM COC[C@@](C)(O)CNC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000821681678 599497194 /nfs/dbraw/zinc/49/71/94/599497194.db2.gz PRPIPJMQQUYVOM-KRWDZBQOSA-N -1 3 379.417 0.548 20 0 GCADHM COC[C@@](C)(O)CNC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000821681678 599497196 /nfs/dbraw/zinc/49/71/96/599497196.db2.gz PRPIPJMQQUYVOM-KRWDZBQOSA-N -1 3 379.417 0.548 20 0 GCADHM COCC[C@@](C)(O)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821686044 599498064 /nfs/dbraw/zinc/49/80/64/599498064.db2.gz YWOLIXQQFSMDQN-QGZVFWFLSA-N -1 3 386.416 0.152 20 0 GCADHM COCC[C@@](C)(O)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821686044 599498067 /nfs/dbraw/zinc/49/80/67/599498067.db2.gz YWOLIXQQFSMDQN-QGZVFWFLSA-N -1 3 386.416 0.152 20 0 GCADHM C[C@@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333591 599499048 /nfs/dbraw/zinc/49/90/48/599499048.db2.gz DKUIDEYLBHSGJN-ZWNOBZJWSA-N -1 3 381.483 0.964 20 0 GCADHM C[C@@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333591 599499050 /nfs/dbraw/zinc/49/90/50/599499050.db2.gz DKUIDEYLBHSGJN-ZWNOBZJWSA-N -1 3 381.483 0.964 20 0 GCADHM C[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333589 599499354 /nfs/dbraw/zinc/49/93/54/599499354.db2.gz DKUIDEYLBHSGJN-GXFFZTMASA-N -1 3 381.483 0.964 20 0 GCADHM C[C@H](NC(=O)CS[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333589 599499356 /nfs/dbraw/zinc/49/93/56/599499356.db2.gz DKUIDEYLBHSGJN-GXFFZTMASA-N -1 3 381.483 0.964 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000737062823 599501330 /nfs/dbraw/zinc/50/13/30/599501330.db2.gz PXAVOKRGTRDCQM-UHFFFAOYSA-N -1 3 385.388 0.804 20 0 GCADHM 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/nfs/dbraw/zinc/50/90/64/599509064.db2.gz RRGZTAYZQUYIAK-UHFFFAOYSA-N -1 3 377.449 0.592 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000738077971 599510395 /nfs/dbraw/zinc/51/03/95/599510395.db2.gz KHPPBJGPXQSYIO-UHFFFAOYSA-N -1 3 394.399 0.096 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000738077971 599510396 /nfs/dbraw/zinc/51/03/96/599510396.db2.gz KHPPBJGPXQSYIO-UHFFFAOYSA-N -1 3 394.399 0.096 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCC(=O)OC ZINC000736636258 599510707 /nfs/dbraw/zinc/51/07/07/599510707.db2.gz PYYSVRPXJRCLDF-UHFFFAOYSA-N -1 3 376.373 0.273 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCC(=O)OC ZINC000736636258 599510708 /nfs/dbraw/zinc/51/07/08/599510708.db2.gz PYYSVRPXJRCLDF-UHFFFAOYSA-N -1 3 376.373 0.273 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(=O)OC(C)(C)C ZINC000737059637 599512124 /nfs/dbraw/zinc/51/21/24/599512124.db2.gz XQRPAFHWVSGCOB-UHFFFAOYSA-N -1 3 376.373 0.272 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(=O)OC(C)(C)C ZINC000737059637 599512126 /nfs/dbraw/zinc/51/21/26/599512126.db2.gz XQRPAFHWVSGCOB-UHFFFAOYSA-N -1 3 376.373 0.272 20 0 GCADHM CS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737161673 599512370 /nfs/dbraw/zinc/51/23/70/599512370.db2.gz BVIZIROIBPSFGA-UHFFFAOYSA-N -1 3 386.821 0.010 20 0 GCADHM CS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737161673 599512372 /nfs/dbraw/zinc/51/23/72/599512372.db2.gz BVIZIROIBPSFGA-UHFFFAOYSA-N -1 3 386.821 0.010 20 0 GCADHM CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736330644 599513164 /nfs/dbraw/zinc/51/31/64/599513164.db2.gz NCFGUAPTMDRXMO-QGHHPUGFSA-N -1 3 376.417 0.727 20 0 GCADHM CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736330644 599513166 /nfs/dbraw/zinc/51/31/66/599513166.db2.gz NCFGUAPTMDRXMO-QGHHPUGFSA-N -1 3 376.417 0.727 20 0 GCADHM CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736330639 599513403 /nfs/dbraw/zinc/51/34/03/599513403.db2.gz NCFGUAPTMDRXMO-BTDLBPIBSA-N -1 3 376.417 0.727 20 0 GCADHM CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736330639 599513406 /nfs/dbraw/zinc/51/34/06/599513406.db2.gz NCFGUAPTMDRXMO-BTDLBPIBSA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1cccc(CO)c1 ZINC000737058617 599513687 /nfs/dbraw/zinc/51/36/87/599513687.db2.gz NNXASGIIADYQHI-UHFFFAOYSA-N -1 3 382.380 0.623 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1cccc(CO)c1 ZINC000737058617 599513688 /nfs/dbraw/zinc/51/36/88/599513688.db2.gz NNXASGIIADYQHI-UHFFFAOYSA-N -1 3 382.380 0.623 20 0 GCADHM C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820392631 599514524 /nfs/dbraw/zinc/51/45/24/599514524.db2.gz XMPNITXMLYFFOT-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820392631 599514525 /nfs/dbraw/zinc/51/45/25/599514525.db2.gz XMPNITXMLYFFOT-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736224819 599515715 /nfs/dbraw/zinc/51/57/15/599515715.db2.gz NRDBZGXZQQISNM-WBOIOXJYSA-N -1 3 380.405 0.312 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736224819 599515717 /nfs/dbraw/zinc/51/57/17/599515717.db2.gz NRDBZGXZQQISNM-WBOIOXJYSA-N -1 3 380.405 0.312 20 0 GCADHM O=C(NC[C@@H](O)C1CCOCC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738038043 599516418 /nfs/dbraw/zinc/51/64/18/599516418.db2.gz IPBJDQMYGNJZQX-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(NC[C@@H](O)C1CCOCC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738038043 599516420 /nfs/dbraw/zinc/51/64/20/599516420.db2.gz IPBJDQMYGNJZQX-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C ZINC000737055906 599516750 /nfs/dbraw/zinc/51/67/50/599516750.db2.gz JDIJCZGJVPELEH-PYJDNQCMSA-N -1 3 392.441 0.182 20 0 GCADHM 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599524475 /nfs/dbraw/zinc/52/44/75/599524475.db2.gz IXTIOLXUOXNELC-UHFFFAOYSA-N -1 3 390.429 0.342 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820321373 599525441 /nfs/dbraw/zinc/52/54/41/599525441.db2.gz DNFVJVHGAYZWGL-FZMZJTMJSA-N -1 3 378.458 0.858 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820321373 599525443 /nfs/dbraw/zinc/52/54/43/599525443.db2.gz DNFVJVHGAYZWGL-FZMZJTMJSA-N -1 3 378.458 0.858 20 0 GCADHM C[C@H](NC(=O)CSCC(=O)N1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334916 599533097 /nfs/dbraw/zinc/53/30/97/599533097.db2.gz QSKSNLVUPLXSMW-LBPRGKRZSA-N -1 3 390.469 0.636 20 0 GCADHM C[C@H](NC(=O)CSCC(=O)N1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334916 599533100 /nfs/dbraw/zinc/53/31/00/599533100.db2.gz QSKSNLVUPLXSMW-LBPRGKRZSA-N -1 3 390.469 0.636 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000820752177 599535937 /nfs/dbraw/zinc/53/59/37/599535937.db2.gz LDTHWRGWSNOJMX-GHMZBOCLSA-N -1 3 398.924 0.818 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000820752177 599535940 /nfs/dbraw/zinc/53/59/40/599535940.db2.gz LDTHWRGWSNOJMX-GHMZBOCLSA-N -1 3 398.924 0.818 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820753605 599536108 /nfs/dbraw/zinc/53/61/08/599536108.db2.gz ZNGUNXISWSMNGI-OCCSQVGLSA-N -1 3 393.442 0.986 20 0 GCADHM Cc1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606347539 599538171 /nfs/dbraw/zinc/53/81/71/599538171.db2.gz AOJCISJSNSOIIW-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM Cc1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606347539 599538173 /nfs/dbraw/zinc/53/81/73/599538173.db2.gz AOJCISJSNSOIIW-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606187930 599538486 /nfs/dbraw/zinc/53/84/86/599538486.db2.gz WWYXPMHLNIQJQS-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606187930 599538487 /nfs/dbraw/zinc/53/84/87/599538487.db2.gz WWYXPMHLNIQJQS-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM COc1cccc([C@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)c1 ZINC000821864159 599550110 /nfs/dbraw/zinc/55/01/10/599550110.db2.gz UKAZWZTUAGRJFP-OAHLLOKOSA-N -1 3 390.425 0.668 20 0 GCADHM COc1cccc([C@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)c1 ZINC000821864159 599550111 /nfs/dbraw/zinc/55/01/11/599550111.db2.gz UKAZWZTUAGRJFP-OAHLLOKOSA-N -1 3 390.425 0.668 20 0 GCADHM Cc1nc(SCC(=O)N(C)[C@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c(C)c1C ZINC000737481778 599553477 /nfs/dbraw/zinc/55/34/77/599553477.db2.gz ARSCZYLDRDNUJW-LBPRGKRZSA-N -1 3 389.485 0.968 20 0 GCADHM Cc1nc(SCC(=O)N(C)[C@H]2CCN(C)C2=O)c(-c2nn[n-]n2)c(C)c1C ZINC000737481778 599553478 /nfs/dbraw/zinc/55/34/78/599553478.db2.gz ARSCZYLDRDNUJW-LBPRGKRZSA-N -1 3 389.485 0.968 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000737034191 599556359 /nfs/dbraw/zinc/55/63/59/599556359.db2.gz XPBOETPPMQJVEO-ZDUSSCGKSA-N -1 3 388.428 0.771 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000737034191 599556360 /nfs/dbraw/zinc/55/63/60/599556360.db2.gz XPBOETPPMQJVEO-ZDUSSCGKSA-N -1 3 388.428 0.771 20 0 GCADHM CN(C)C(=O)C1(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CCCC1 ZINC000821575949 599557453 /nfs/dbraw/zinc/55/74/53/599557453.db2.gz WDPVBINROFLZOA-UHFFFAOYSA-N -1 3 393.473 0.575 20 0 GCADHM CN(C)C(=O)C1(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CCCC1 ZINC000821575949 599557456 /nfs/dbraw/zinc/55/74/56/599557456.db2.gz WDPVBINROFLZOA-UHFFFAOYSA-N -1 3 393.473 0.575 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC2 ZINC000821653842 599557980 /nfs/dbraw/zinc/55/79/80/599557980.db2.gz MPNMZSDQRMBKKM-LBPRGKRZSA-N -1 3 392.441 0.294 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC2 ZINC000821653842 599557981 /nfs/dbraw/zinc/55/79/81/599557981.db2.gz MPNMZSDQRMBKKM-LBPRGKRZSA-N -1 3 392.441 0.294 20 0 GCADHM COCCN(CC(=O)N(C)C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821689179 599564869 /nfs/dbraw/zinc/56/48/69/599564869.db2.gz ODZXSKFLQHCJQT-UHFFFAOYSA-N -1 3 386.416 0.453 20 0 GCADHM COCCN(CC(=O)N(C)C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821689179 599564870 /nfs/dbraw/zinc/56/48/70/599564870.db2.gz ODZXSKFLQHCJQT-UHFFFAOYSA-N -1 3 386.416 0.453 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1(=O)=O ZINC000736279328 599571561 /nfs/dbraw/zinc/57/15/61/599571561.db2.gz JHZHPOQWHNEFEP-MRVPVSSYSA-N -1 3 398.832 0.104 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1(=O)=O ZINC000736279328 599571562 /nfs/dbraw/zinc/57/15/62/599571562.db2.gz JHZHPOQWHNEFEP-MRVPVSSYSA-N -1 3 398.832 0.104 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820642112 599575194 /nfs/dbraw/zinc/57/51/94/599575194.db2.gz GSXJEDGWMVVVGE-GHMZBOCLSA-N -1 3 389.441 0.924 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820642112 599575196 /nfs/dbraw/zinc/57/51/96/599575196.db2.gz GSXJEDGWMVVVGE-GHMZBOCLSA-N -1 3 389.441 0.924 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737739807 599575734 /nfs/dbraw/zinc/57/57/34/599575734.db2.gz RAXYCIVQLQFJAM-IJEWVQPXSA-N -1 3 383.456 0.996 20 0 GCADHM CC[C@@H]1COCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736406877 599577531 /nfs/dbraw/zinc/57/75/31/599577531.db2.gz MLLWOMYPSMVZMC-KDOFPFPSSA-N -1 3 385.428 0.702 20 0 GCADHM CC[C@@H]1COCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736406877 599577533 /nfs/dbraw/zinc/57/75/33/599577533.db2.gz MLLWOMYPSMVZMC-KDOFPFPSSA-N -1 3 385.428 0.702 20 0 GCADHM CN(C[C@H]1CCCO1)CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736791343 599578122 /nfs/dbraw/zinc/57/81/22/599578122.db2.gz LOUFVWMVIHOOID-OAHLLOKOSA-N -1 3 385.428 0.699 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000823989111 607385356 /nfs/dbraw/zinc/38/53/56/607385356.db2.gz MYCRXTSWWDHLFF-AWEZNQCLSA-N -1 3 386.412 0.459 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000823989111 607385357 /nfs/dbraw/zinc/38/53/57/607385357.db2.gz MYCRXTSWWDHLFF-AWEZNQCLSA-N -1 3 386.412 0.459 20 0 GCADHM CN(CC(=O)NCc1ccccc1)[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736784598 599589328 /nfs/dbraw/zinc/58/93/28/599589328.db2.gz XDMLFTGSVYOZTM-KRWDZBQOSA-N -1 3 379.424 0.641 20 0 GCADHM CN(CC(=O)NCc1ccccc1)[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736784598 599589329 /nfs/dbraw/zinc/58/93/29/599589329.db2.gz XDMLFTGSVYOZTM-KRWDZBQOSA-N -1 3 379.424 0.641 20 0 GCADHM CS(=O)(=O)CCOCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821926203 599591476 /nfs/dbraw/zinc/59/14/76/599591476.db2.gz BRMGOFAJXFIDIH-UHFFFAOYSA-N -1 3 380.352 0.754 20 0 GCADHM CS(=O)(=O)CCOCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821926203 599591479 /nfs/dbraw/zinc/59/14/79/599591479.db2.gz BRMGOFAJXFIDIH-UHFFFAOYSA-N -1 3 380.352 0.754 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000736866429 599593853 /nfs/dbraw/zinc/59/38/53/599593853.db2.gz GAJKEMIKSAUVAA-UHFFFAOYSA-N -1 3 376.364 0.822 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000736866429 599593856 /nfs/dbraw/zinc/59/38/56/599593856.db2.gz GAJKEMIKSAUVAA-UHFFFAOYSA-N -1 3 376.364 0.822 20 0 GCADHM CNC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000736873837 599593964 /nfs/dbraw/zinc/59/39/64/599593964.db2.gz MQZQLEBGACDTMX-UHFFFAOYSA-N -1 3 378.336 0.252 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)CN1CCOCC1 ZINC000736027121 599596577 /nfs/dbraw/zinc/59/65/77/599596577.db2.gz XTCKZIPXDMALBX-NSHDSACASA-N -1 3 384.437 0.252 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)CN1CCOCC1 ZINC000736027121 599596579 /nfs/dbraw/zinc/59/65/79/599596579.db2.gz XTCKZIPXDMALBX-NSHDSACASA-N -1 3 384.437 0.252 20 0 GCADHM C[C@H](CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)CN1CCOCC1 ZINC000736027078 599596681 /nfs/dbraw/zinc/59/66/81/599596681.db2.gz WTWGLMREGLLCMA-CYBMUJFWSA-N -1 3 380.474 0.254 20 0 GCADHM C[C@H](CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)CN1CCOCC1 ZINC000736027078 599596683 /nfs/dbraw/zinc/59/66/83/599596683.db2.gz WTWGLMREGLLCMA-CYBMUJFWSA-N -1 3 380.474 0.254 20 0 GCADHM CN1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1=O ZINC000736855335 599597331 /nfs/dbraw/zinc/59/73/31/599597331.db2.gz KBFZCPLUDSVXQA-VIFPVBQESA-N -1 3 390.347 0.395 20 0 GCADHM CN1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1=O ZINC000736855335 599597332 /nfs/dbraw/zinc/59/73/32/599597332.db2.gz KBFZCPLUDSVXQA-VIFPVBQESA-N -1 3 390.347 0.395 20 0 GCADHM CC(=O)NCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819810470 599597563 /nfs/dbraw/zinc/59/75/63/599597563.db2.gz KLTYAOVYXHQFNO-UHFFFAOYSA-N -1 3 399.333 0.466 20 0 GCADHM CC(=O)NCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819810470 599597564 /nfs/dbraw/zinc/59/75/64/599597564.db2.gz KLTYAOVYXHQFNO-UHFFFAOYSA-N -1 3 399.333 0.466 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000737743815 599597650 /nfs/dbraw/zinc/59/76/50/599597650.db2.gz KFRKHANVIPVJHR-DTWKUNHWSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000737743815 599597652 /nfs/dbraw/zinc/59/76/52/599597652.db2.gz KFRKHANVIPVJHR-DTWKUNHWSA-N -1 3 384.849 0.843 20 0 GCADHM Cn1nccc1CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822709600 599598776 /nfs/dbraw/zinc/59/87/76/599598776.db2.gz OGJMAIHMVVMARJ-UHFFFAOYSA-N -1 3 394.317 0.874 20 0 GCADHM Cn1nccc1CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822709600 599598777 /nfs/dbraw/zinc/59/87/77/599598777.db2.gz OGJMAIHMVVMARJ-UHFFFAOYSA-N -1 3 394.317 0.874 20 0 GCADHM CCN1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000821267830 599599545 /nfs/dbraw/zinc/59/95/45/599599545.db2.gz RWOUUKXDFPKULB-UHFFFAOYSA-N -1 3 397.361 0.988 20 0 GCADHM CCN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000821267830 599599546 /nfs/dbraw/zinc/59/95/46/599599546.db2.gz RWOUUKXDFPKULB-UHFFFAOYSA-N -1 3 397.361 0.988 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CCC(O)CC1 ZINC000823303775 599600343 /nfs/dbraw/zinc/60/03/43/599600343.db2.gz UUOCAXAJJNPSOB-UHFFFAOYSA-N -1 3 384.318 0.807 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CCC(O)CC1 ZINC000823303775 599600345 /nfs/dbraw/zinc/60/03/45/599600345.db2.gz UUOCAXAJJNPSOB-UHFFFAOYSA-N -1 3 384.318 0.807 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(c3nncn3C)CC2)c1-c1nnn[n-]1 ZINC000822308252 599601076 /nfs/dbraw/zinc/60/10/76/599601076.db2.gz BGMNIYSXSSZVSQ-UHFFFAOYSA-N -1 3 395.427 0.648 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(c3nncn3C)CC2)c1-c1nn[n-]n1 ZINC000822308252 599601078 /nfs/dbraw/zinc/60/10/78/599601078.db2.gz BGMNIYSXSSZVSQ-UHFFFAOYSA-N -1 3 395.427 0.648 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1nnn[n-]1 ZINC000822313648 599601413 /nfs/dbraw/zinc/60/14/13/599601413.db2.gz OSRYHNUXDHKOCH-UHFFFAOYSA-N -1 3 397.361 0.820 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)c1-c1nn[n-]n1 ZINC000822313648 599601415 /nfs/dbraw/zinc/60/14/15/599601415.db2.gz OSRYHNUXDHKOCH-UHFFFAOYSA-N -1 3 397.361 0.820 20 0 GCADHM CN1C[C@H](NC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)CCC1=O ZINC000736844436 599602734 /nfs/dbraw/zinc/60/27/34/599602734.db2.gz AZTVZFZEPRORCR-CQSZACIVSA-N -1 3 398.471 0.709 20 0 GCADHM CN1C[C@H](NC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)CCC1=O ZINC000736844436 599602737 /nfs/dbraw/zinc/60/27/37/599602737.db2.gz AZTVZFZEPRORCR-CQSZACIVSA-N -1 3 398.471 0.709 20 0 GCADHM CN1C[C@@H](NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCC1=O ZINC000736847702 599602847 /nfs/dbraw/zinc/60/28/47/599602847.db2.gz WIRIOKMQOFVVNT-AWEZNQCLSA-N -1 3 399.459 0.151 20 0 GCADHM CN1C[C@@H](NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCC1=O ZINC000736847702 599602849 /nfs/dbraw/zinc/60/28/49/599602849.db2.gz WIRIOKMQOFVVNT-AWEZNQCLSA-N -1 3 399.459 0.151 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC1(O)Cc2ccccc2C1 ZINC000737889603 599604481 /nfs/dbraw/zinc/60/44/81/599604481.db2.gz MKRATFQLBZYWAD-UHFFFAOYSA-N -1 3 392.419 0.243 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC1(O)Cc2ccccc2C1 ZINC000737889603 599604482 /nfs/dbraw/zinc/60/44/82/599604482.db2.gz MKRATFQLBZYWAD-UHFFFAOYSA-N -1 3 392.419 0.243 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)c1-c1nnn[n-]1 ZINC000822319632 599604642 /nfs/dbraw/zinc/60/46/42/599604642.db2.gz VPZFLQYLYXDIIM-UHFFFAOYSA-N -1 3 393.407 0.571 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)c1-c1nn[n-]n1 ZINC000822319632 599604644 /nfs/dbraw/zinc/60/46/44/599604644.db2.gz VPZFLQYLYXDIIM-UHFFFAOYSA-N -1 3 393.407 0.571 20 0 GCADHM Cc1nn(C)c(C)c1CN(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737511505 599604720 /nfs/dbraw/zinc/60/47/20/599604720.db2.gz SKSNCJPXPWATGO-UHFFFAOYSA-N -1 3 382.428 0.605 20 0 GCADHM Cc1nn(C)c(C)c1CN(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737511505 599604722 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CCC[C@@H](CCO)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821022766 599617727 /nfs/dbraw/zinc/61/77/27/599617727.db2.gz UQVBFAHPQOVBBA-NSHDSACASA-N -1 3 376.417 0.729 20 0 GCADHM CCC[C@@H](CCO)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821022766 599617729 /nfs/dbraw/zinc/61/77/29/599617729.db2.gz UQVBFAHPQOVBBA-NSHDSACASA-N -1 3 376.417 0.729 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCN1C(=O)CCc2ccccc21 ZINC000737770559 599618047 /nfs/dbraw/zinc/61/80/47/599618047.db2.gz LBGVJMUDXAYQFY-UHFFFAOYSA-N -1 3 396.411 0.558 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCN1C(=O)CCc2ccccc21 ZINC000737770559 599618049 /nfs/dbraw/zinc/61/80/49/599618049.db2.gz LBGVJMUDXAYQFY-UHFFFAOYSA-N -1 3 396.411 0.558 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820315425 599618809 /nfs/dbraw/zinc/61/88/09/599618809.db2.gz NRVODGHJWLONOG-SECBINFHSA-N -1 3 397.370 0.921 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820315425 599618811 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GCADHM COCc1cc(C(=O)[N-]c2nc(C)nn2-c2ccc(-c3nn[nH]n3)cc2)no1 ZINC000821695330 599632097 /nfs/dbraw/zinc/63/20/97/599632097.db2.gz SQFLSAHNFXJJNM-UHFFFAOYSA-N -1 3 381.356 0.564 20 0 GCADHM Cn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c(=O)n(C)c1=O ZINC000822670027 599634069 /nfs/dbraw/zinc/63/40/69/599634069.db2.gz YWDPRTYVAAKUKT-UHFFFAOYSA-N -1 3 395.301 0.535 20 0 GCADHM O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(-c2nnn[n-]2)cn1)N1CCCC1 ZINC000822987512 599634893 /nfs/dbraw/zinc/63/48/93/599634893.db2.gz YPGYZSYXAMFLAN-CQSZACIVSA-N -1 3 385.428 0.505 20 0 GCADHM O=C(CN(C[C@H]1CCCO1)C(=O)c1ccc(-c2nn[n-]n2)cn1)N1CCCC1 ZINC000822987512 599634894 /nfs/dbraw/zinc/63/48/94/599634894.db2.gz YPGYZSYXAMFLAN-CQSZACIVSA-N -1 3 385.428 0.505 20 0 GCADHM CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000821230373 599635585 /nfs/dbraw/zinc/63/55/85/599635585.db2.gz ITCMKMCWAYZYAN-ZDUSSCGKSA-N -1 3 389.441 0.926 20 0 GCADHM CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000821230373 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CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)c2nncn2C)cc1-c1nn[n-]n1 ZINC000820155176 607435916 /nfs/dbraw/zinc/43/59/16/607435916.db2.gz KFGBLMSMVZPDOS-SNVBAGLBSA-N -1 3 399.415 0.598 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N(C)CCn2cccn2)cc1-c1nnn[n-]1 ZINC000820154903 607436070 /nfs/dbraw/zinc/43/60/70/607436070.db2.gz CGCRTGROMQOUGV-UHFFFAOYSA-N -1 3 398.427 0.948 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N(C)CCn2cccn2)cc1-c1nn[n-]n1 ZINC000820154903 607436071 /nfs/dbraw/zinc/43/60/71/607436071.db2.gz CGCRTGROMQOUGV-UHFFFAOYSA-N -1 3 398.427 0.948 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cc1-c1nnn[n-]1 ZINC000820155577 607436550 /nfs/dbraw/zinc/43/65/50/607436550.db2.gz SCFVZQZQCMKLCJ-UHFFFAOYSA-N -1 3 399.455 0.899 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cc1-c1nn[n-]n1 ZINC000820155577 607436551 /nfs/dbraw/zinc/43/65/51/607436551.db2.gz SCFVZQZQCMKLCJ-UHFFFAOYSA-N -1 3 399.455 0.899 20 0 GCADHM CCN1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CC1 ZINC000821267683 607436964 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20 0 GCADHM CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc2)CC1 ZINC000737114672 600345958 /nfs/dbraw/zinc/34/59/58/600345958.db2.gz DBVSPUAAFRNGFR-AWEZNQCLSA-N -1 3 376.457 0.600 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737349079 600351636 /nfs/dbraw/zinc/35/16/36/600351636.db2.gz WEKCHHQKXDARIS-LSDHHAIUSA-N -1 3 380.489 0.825 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](O)C(C)C)cc1-c1nnn[n-]1 ZINC000820155684 607438280 /nfs/dbraw/zinc/43/82/80/607438280.db2.gz VAXGGZRGUCAGGG-CYBMUJFWSA-N -1 3 376.417 0.726 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H](O)C(C)C)cc1-c1nn[n-]n1 ZINC000820155684 607438282 /nfs/dbraw/zinc/43/82/82/607438282.db2.gz VAXGGZRGUCAGGG-CYBMUJFWSA-N -1 3 376.417 0.726 20 0 GCADHM COC(=O)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821660132 607438816 /nfs/dbraw/zinc/43/88/16/607438816.db2.gz GYCFOCRNKAJXTR-UHFFFAOYSA-N -1 3 390.400 0.662 20 0 GCADHM COC(=O)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821660132 607438818 /nfs/dbraw/zinc/43/88/18/607438818.db2.gz GYCFOCRNKAJXTR-UHFFFAOYSA-N -1 3 390.400 0.662 20 0 GCADHM CN(C[C@@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000821597602 607438941 /nfs/dbraw/zinc/43/89/41/607438941.db2.gz AXYCWQRGGAOXFJ-LLVKDONJSA-N -1 3 386.441 0.696 20 0 GCADHM CN(C[C@@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000821597602 607438942 /nfs/dbraw/zinc/43/89/42/607438942.db2.gz AXYCWQRGGAOXFJ-LLVKDONJSA-N -1 3 386.441 0.696 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)[O-] ZINC000736570818 600366140 /nfs/dbraw/zinc/36/61/40/600366140.db2.gz HQRRPKYOVGCHEL-AWEZNQCLSA-N -1 3 383.470 0.172 20 0 GCADHM CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)C(C)C ZINC000821629743 607439554 /nfs/dbraw/zinc/43/95/54/607439554.db2.gz AGPXOAWPPGFUQS-LLVKDONJSA-N -1 3 379.808 0.345 20 0 GCADHM CNC(=O)[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)C(C)C ZINC000821629743 607439555 /nfs/dbraw/zinc/43/95/55/607439555.db2.gz AGPXOAWPPGFUQS-LLVKDONJSA-N -1 3 379.808 0.345 20 0 GCADHM CNC(=O)[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(C)C ZINC000821631640 607440875 /nfs/dbraw/zinc/44/08/75/607440875.db2.gz OFNAZFJXLMGHEW-CYBMUJFWSA-N -1 3 383.416 0.135 20 0 GCADHM CNC(=O)[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(C)C ZINC000821631640 607440876 /nfs/dbraw/zinc/44/08/76/607440876.db2.gz OFNAZFJXLMGHEW-CYBMUJFWSA-N -1 3 383.416 0.135 20 0 GCADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCC[C@@H]1Cn1cncn1 ZINC000737863951 600423292 /nfs/dbraw/zinc/42/32/92/600423292.db2.gz DARBGNGBDXSZAZ-CABCVRRESA-N -1 3 376.413 0.889 20 0 GCADHM CC(C)N(CCC(=O)[O-])CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000736465844 600446202 /nfs/dbraw/zinc/44/62/02/600446202.db2.gz LTMVGQQLTGWXPO-UHFFFAOYSA-N -1 3 391.468 0.960 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821367189 607446028 /nfs/dbraw/zinc/44/60/28/607446028.db2.gz CGMYGEGKUQSCGE-SMDDNHRTSA-N -1 3 377.401 0.671 20 0 GCADHM 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601600583 /nfs/dbraw/zinc/60/05/83/601600583.db2.gz GOYVWIHQRWVCMY-QMTHXVAHSA-N -1 3 377.397 0.566 20 0 GCADHM CCN1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)C1 ZINC000829745111 601600798 /nfs/dbraw/zinc/60/07/98/601600798.db2.gz OIEXGDJFOAAFSR-QMTHXVAHSA-N -1 3 377.397 0.566 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ccnn1CC1CC1 ZINC000826437999 607516507 /nfs/dbraw/zinc/51/65/07/607516507.db2.gz JDJKNDRQFHUUJU-UHFFFAOYSA-N -1 3 396.415 0.035 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ccnn1CC1CC1 ZINC000826437999 607516509 /nfs/dbraw/zinc/51/65/09/607516509.db2.gz JDJKNDRQFHUUJU-UHFFFAOYSA-N -1 3 396.415 0.035 20 0 GCADHM C[C@H](C(=O)[O-])[C@H](NCC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 ZINC000826044678 601650955 /nfs/dbraw/zinc/65/09/55/601650955.db2.gz KFFHDKSHWLLFPT-KXBFYZLASA-N -1 3 390.484 0.270 20 0 GCADHM COC[C@](C)(NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)[O-] ZINC000831628071 601696079 /nfs/dbraw/zinc/69/60/79/601696079.db2.gz WBJDQLQWPTYHFN-IBGZPJMESA-N 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CCOC[C@H](C(=O)OC)N(C)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825582540 607529139 /nfs/dbraw/zinc/52/91/39/607529139.db2.gz KZNOOVLWYPSXNZ-CQSZACIVSA-N -1 3 397.457 0.150 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)[nH]n1 ZINC000826419943 607529531 /nfs/dbraw/zinc/52/95/31/607529531.db2.gz SBXSUOCJQRTZIS-UHFFFAOYSA-N -1 3 381.805 0.797 20 0 GCADHM COCc1nc2n(n1)C[C@H](N[C@H]1CCN(c3sccc3C(=O)[O-])C1=O)CC2 ZINC000831831211 601852370 /nfs/dbraw/zinc/85/23/70/601852370.db2.gz GZVGUSNZNBWPOW-PWSUYJOCSA-N -1 3 391.453 0.894 20 0 GCADHM CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000829776714 601852739 /nfs/dbraw/zinc/85/27/39/601852739.db2.gz UTKZMSDKTIBKBX-CYBMUJFWSA-N -1 3 394.447 0.852 20 0 GCADHM Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(CCC(=O)[O-])C1CCOCC1 ZINC000832956786 601868650 /nfs/dbraw/zinc/86/86/50/601868650.db2.gz QOPHYXKJSIQXKS-UHFFFAOYSA-N -1 3 399.469 0.537 20 0 GCADHM CN(C)C[C@H]1CN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)CCO1 ZINC000830600926 601880238 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GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084050 607537696 /nfs/dbraw/zinc/53/76/96/607537696.db2.gz ULDUTRHVRULBAC-ZWNOBZJWSA-N -1 3 379.446 0.261 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084050 607537697 /nfs/dbraw/zinc/53/76/97/607537697.db2.gz ULDUTRHVRULBAC-ZWNOBZJWSA-N -1 3 379.446 0.261 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000826083427 607542567 /nfs/dbraw/zinc/54/25/67/607542567.db2.gz LVIZWVTZNNKWFR-SECBINFHSA-N -1 3 395.395 0.821 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000826083427 607542568 /nfs/dbraw/zinc/54/25/68/607542568.db2.gz LVIZWVTZNNKWFR-SECBINFHSA-N -1 3 395.395 0.821 20 0 GCADHM CNc1nc(N2CCC[C@H](C(=O)[O-])C2)nc(N2CCC[C@H](C(=O)OC)C2)n1 ZINC000831047308 602128624 /nfs/dbraw/zinc/12/86/24/602128624.db2.gz VIRLXLPFPHKVCR-RYUDHWBXSA-N -1 3 378.433 0.026 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)n1 ZINC000826163011 607550695 /nfs/dbraw/zinc/55/06/95/607550695.db2.gz CAOFVCLGTGIIKU-UHFFFAOYSA-N -1 3 393.429 0.568 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)n1 ZINC000826163011 607550697 /nfs/dbraw/zinc/55/06/97/607550697.db2.gz CAOFVCLGTGIIKU-UHFFFAOYSA-N -1 3 393.429 0.568 20 0 GCADHM COCCOC1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000826160011 607546357 /nfs/dbraw/zinc/54/63/57/607546357.db2.gz BMEKCZFCFSPUSC-UHFFFAOYSA-N -1 3 381.458 0.991 20 0 GCADHM COCCOC1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000826160011 607546358 /nfs/dbraw/zinc/54/63/58/607546358.db2.gz BMEKCZFCFSPUSC-UHFFFAOYSA-N -1 3 381.458 0.991 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CCN1CCOC ZINC000825210523 607546677 /nfs/dbraw/zinc/54/66/77/607546677.db2.gz HUKOUHUDQRSJTA-AWEZNQCLSA-N -1 3 394.501 0.906 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CCN1CCOC ZINC000825210523 607546678 /nfs/dbraw/zinc/54/66/78/607546678.db2.gz HUKOUHUDQRSJTA-AWEZNQCLSA-N -1 3 394.501 0.906 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826300763 607547228 /nfs/dbraw/zinc/54/72/28/607547228.db2.gz GBHTVQJUHNVZFV-GHMZBOCLSA-N -1 3 387.487 0.617 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826300763 607547229 /nfs/dbraw/zinc/54/72/29/607547229.db2.gz GBHTVQJUHNVZFV-GHMZBOCLSA-N -1 3 387.487 0.617 20 0 GCADHM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CCO1 ZINC000825499906 607548477 /nfs/dbraw/zinc/54/84/77/607548477.db2.gz XNYKSCHBKKJDCT-NSHDSACASA-N -1 3 381.414 0.128 20 0 GCADHM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CCO1 ZINC000825499906 607548479 /nfs/dbraw/zinc/54/84/79/607548479.db2.gz XNYKSCHBKKJDCT-NSHDSACASA-N -1 3 381.414 0.128 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C3CCOCC3)CC2)c1-c1nnn[n-]1 ZINC000826301511 607548774 /nfs/dbraw/zinc/54/87/74/607548774.db2.gz HCWWMADIONUDQJ-UHFFFAOYSA-N -1 3 392.485 0.660 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C3CCOCC3)CC2)c1-c1nn[n-]n1 ZINC000826301511 607548775 /nfs/dbraw/zinc/54/87/75/607548775.db2.gz HCWWMADIONUDQJ-UHFFFAOYSA-N -1 3 392.485 0.660 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826301010 607548821 /nfs/dbraw/zinc/54/88/21/607548821.db2.gz OTELUYGHUPTMPO-NSHDSACASA-N -1 3 385.471 0.230 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826301010 607548822 /nfs/dbraw/zinc/54/88/22/607548822.db2.gz OTELUYGHUPTMPO-NSHDSACASA-N -1 3 385.471 0.230 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC3(CNC(=O)C3)CC2)c1-c1nnn[n-]1 ZINC000826301481 607549056 /nfs/dbraw/zinc/54/90/56/607549056.db2.gz GFHVRJBMZGFHOV-UHFFFAOYSA-N -1 3 376.442 0.466 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC3(CNC(=O)C3)CC2)c1-c1nn[n-]n1 ZINC000826301481 607549058 /nfs/dbraw/zinc/54/90/58/607549058.db2.gz GFHVRJBMZGFHOV-UHFFFAOYSA-N -1 3 376.442 0.466 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084076 607553014 /nfs/dbraw/zinc/55/30/14/607553014.db2.gz UTZGQYGIPPEKHS-ZDUSSCGKSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084075 607553117 /nfs/dbraw/zinc/55/31/17/607553117.db2.gz UTZGQYGIPPEKHS-CYBMUJFWSA-N -1 3 394.457 0.174 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000830934791 602221821 /nfs/dbraw/zinc/22/18/21/602221821.db2.gz LCUILJPYFKSXQE-CQSZACIVSA-N -1 3 399.444 0.451 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC000830934868 602221831 /nfs/dbraw/zinc/22/18/31/602221831.db2.gz LYUCMHAUMQLMOS-AWEZNQCLSA-N -1 3 381.454 0.312 20 0 GCADHM Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1C(=O)[O-] ZINC000832903294 602222402 /nfs/dbraw/zinc/22/24/02/602222402.db2.gz XHPMDURATIACHO-INIZCTEOSA-N -1 3 395.481 0.620 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000826083067 607556116 /nfs/dbraw/zinc/55/61/16/607556116.db2.gz HVDKEHYPQJCBKG-MWLCHTKSSA-N -1 3 397.461 0.027 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000826084287 607557050 /nfs/dbraw/zinc/55/70/50/607557050.db2.gz XXTFEOXRZVBWMU-JTQLQIEISA-N -1 3 399.502 0.107 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000826084287 607557052 /nfs/dbraw/zinc/55/70/52/607557052.db2.gz XXTFEOXRZVBWMU-JTQLQIEISA-N -1 3 399.502 0.107 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H](C)N2CCOCC2)cc1-c1nnn[n-]1 ZINC000826199474 607557859 /nfs/dbraw/zinc/55/78/59/607557859.db2.gz ZTBSTZNTVWARAS-LBPRGKRZSA-N -1 3 375.433 0.395 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H](C)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000826199474 607557860 /nfs/dbraw/zinc/55/78/60/607557860.db2.gz ZTBSTZNTVWARAS-LBPRGKRZSA-N -1 3 375.433 0.395 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)OCC(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826337565 607564188 /nfs/dbraw/zinc/56/41/88/607564188.db2.gz SWVWZMSOXFXKGW-GFCCVEGCSA-N -1 3 382.384 0.511 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)OCC(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826337565 607564189 /nfs/dbraw/zinc/56/41/89/607564189.db2.gz SWVWZMSOXFXKGW-GFCCVEGCSA-N -1 3 382.384 0.511 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000826501296 607564809 /nfs/dbraw/zinc/56/48/09/607564809.db2.gz JLJZPMFDBVHLGD-UHFFFAOYSA-N -1 3 377.361 0.248 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000826501296 607564810 /nfs/dbraw/zinc/56/48/10/607564810.db2.gz JLJZPMFDBVHLGD-UHFFFAOYSA-N -1 3 377.361 0.248 20 0 GCADHM O=C(c1cnc2n1CCCC2)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826475023 607567880 /nfs/dbraw/zinc/56/78/80/607567880.db2.gz PFZXSENGHRHNHF-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM O=C(c1cnc2n1CCCC2)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826475023 607567882 /nfs/dbraw/zinc/56/78/82/607567882.db2.gz PFZXSENGHRHNHF-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM C[C@H](C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)N1CCSCC1 ZINC000824038913 607568163 /nfs/dbraw/zinc/56/81/63/607568163.db2.gz AOQZRTPAGBXAHO-CYBMUJFWSA-N -1 3 388.501 0.348 20 0 GCADHM C[C@H](C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)N1CCSCC1 ZINC000824038913 607568164 /nfs/dbraw/zinc/56/81/64/607568164.db2.gz AOQZRTPAGBXAHO-CYBMUJFWSA-N -1 3 388.501 0.348 20 0 GCADHM C[C@H](C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)N1CCSCC1 ZINC000824039053 607569646 /nfs/dbraw/zinc/56/96/46/607569646.db2.gz CEADYFLVJBFVJE-CQSZACIVSA-N -1 3 387.513 0.953 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826337234 607565848 /nfs/dbraw/zinc/56/58/48/607565848.db2.gz HXNBHMAJBDMZRF-MFKMUULPSA-N -1 3 396.411 0.899 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826337234 607565850 /nfs/dbraw/zinc/56/58/50/607565850.db2.gz HXNBHMAJBDMZRF-MFKMUULPSA-N -1 3 396.411 0.899 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826337232 607566253 /nfs/dbraw/zinc/56/62/53/607566253.db2.gz HXNBHMAJBDMZRF-GWCFXTLKSA-N -1 3 396.411 0.899 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826337232 607566254 /nfs/dbraw/zinc/56/62/54/607566254.db2.gz HXNBHMAJBDMZRF-GWCFXTLKSA-N -1 3 396.411 0.899 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(C(=O)C3CC3)CC2)cc1-c1nnn[n-]1 ZINC000826198242 607572745 /nfs/dbraw/zinc/57/27/45/607572745.db2.gz RJULYKWFGKXLMY-UHFFFAOYSA-N -1 3 385.428 0.639 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(C(=O)C3CC3)CC2)cc1-c1nn[n-]n1 ZINC000826198242 607572747 /nfs/dbraw/zinc/57/27/47/607572747.db2.gz RJULYKWFGKXLMY-UHFFFAOYSA-N -1 3 385.428 0.639 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1-c1nnn[n-]1 ZINC000826198204 607575981 /nfs/dbraw/zinc/57/59/81/607575981.db2.gz QBEFRSMSSMHIEK-JKSUJKDBSA-N -1 3 388.428 0.965 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1-c1nn[n-]n1 ZINC000826198204 607575983 /nfs/dbraw/zinc/57/59/83/607575983.db2.gz QBEFRSMSSMHIEK-JKSUJKDBSA-N -1 3 388.428 0.965 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1-c1nnn[n-]1 ZINC000826198202 607576156 /nfs/dbraw/zinc/57/61/56/607576156.db2.gz QBEFRSMSSMHIEK-HOTGVXAUSA-N -1 3 388.428 0.965 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cc1-c1nn[n-]n1 ZINC000826198202 607576157 /nfs/dbraw/zinc/57/61/57/607576157.db2.gz QBEFRSMSSMHIEK-HOTGVXAUSA-N -1 3 388.428 0.965 20 0 GCADHM COc1ccc(CNC(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)cc1-c1nnn[n-]1 ZINC000826197977 607576225 /nfs/dbraw/zinc/57/62/25/607576225.db2.gz IQNSXHSSKICTSR-FEEKEVSISA-N -1 3 378.458 0.926 20 0 GCADHM COc1ccc(CNC(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)cc1-c1nn[n-]n1 ZINC000826197977 607576227 /nfs/dbraw/zinc/57/62/27/607576227.db2.gz IQNSXHSSKICTSR-FEEKEVSISA-N -1 3 378.458 0.926 20 0 GCADHM COc1ccc(CNC(=O)N2CCC(C(=O)N(C)C)CC2)cc1-c1nnn[n-]1 ZINC000826198400 607576892 /nfs/dbraw/zinc/57/68/92/607576892.db2.gz WTNYSVJXYBTOCX-UHFFFAOYSA-N -1 3 387.444 0.885 20 0 GCADHM COc1ccc(CNC(=O)N2CCC(C(=O)N(C)C)CC2)cc1-c1nn[n-]n1 ZINC000826198400 607576894 /nfs/dbraw/zinc/57/68/94/607576894.db2.gz WTNYSVJXYBTOCX-UHFFFAOYSA-N -1 3 387.444 0.885 20 0 GCADHM CSCc1noc(CCC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000826229203 607578433 /nfs/dbraw/zinc/57/84/33/607578433.db2.gz TXHNFYUSPDJVOX-UHFFFAOYSA-N -1 3 389.445 0.669 20 0 GCADHM CSCc1noc(CCC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000826229203 607578435 /nfs/dbraw/zinc/57/84/35/607578435.db2.gz TXHNFYUSPDJVOX-UHFFFAOYSA-N -1 3 389.445 0.669 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccco1 ZINC000826437697 607582797 /nfs/dbraw/zinc/58/27/97/607582797.db2.gz XOGVXWYMARQEPE-UHFFFAOYSA-N -1 3 380.361 0.307 20 0 GCADHM NC(=O)Nc1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826392542 607582823 /nfs/dbraw/zinc/58/28/23/607582823.db2.gz CABLLPWVLLMSLG-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825499406 607583493 /nfs/dbraw/zinc/58/34/93/607583493.db2.gz MKZIKSUJLBBOEE-LLVKDONJSA-N -1 3 397.482 0.844 20 0 GCADHM CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825499406 607583494 /nfs/dbraw/zinc/58/34/94/607583494.db2.gz MKZIKSUJLBBOEE-LLVKDONJSA-N -1 3 397.482 0.844 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826300895 607583944 /nfs/dbraw/zinc/58/39/44/607583944.db2.gz KPYROZOJAKKTBG-GFCCVEGCSA-N -1 3 397.482 0.515 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826300895 607583945 /nfs/dbraw/zinc/58/39/45/607583945.db2.gz KPYROZOJAKKTBG-GFCCVEGCSA-N -1 3 397.482 0.515 20 0 GCADHM COc1ccc(CNC(=O)Cn2c3ccccc3n(C)c2=O)cc1-c1nnn[n-]1 ZINC000826197155 607584189 /nfs/dbraw/zinc/58/41/89/607584189.db2.gz CALZEMPICQPWLX-UHFFFAOYSA-N -1 3 393.407 0.845 20 0 GCADHM COc1ccc(CNC(=O)Cn2c3ccccc3n(C)c2=O)cc1-c1nn[n-]n1 ZINC000826197155 607584191 /nfs/dbraw/zinc/58/41/91/607584191.db2.gz CALZEMPICQPWLX-UHFFFAOYSA-N -1 3 393.407 0.845 20 0 GCADHM COc1cccc(C(=O)NCC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826213720 607586543 /nfs/dbraw/zinc/58/65/43/607586543.db2.gz JPGYQQFZPGYHDD-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM COc1cccc(C(=O)NCC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826213720 607586546 /nfs/dbraw/zinc/58/65/46/607586546.db2.gz JPGYQQFZPGYHDD-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1-c1nnn[n-]1 ZINC000826201156 607586589 /nfs/dbraw/zinc/58/65/89/607586589.db2.gz BOQSEBVVFCNJIF-UHFFFAOYSA-N -1 3 388.409 0.453 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1-c1nn[n-]n1 ZINC000826201156 607586591 /nfs/dbraw/zinc/58/65/91/607586591.db2.gz BOQSEBVVFCNJIF-UHFFFAOYSA-N -1 3 388.409 0.453 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCN2C(=O)CSC2=O)c1-c1nnn[n-]1 ZINC000826303617 607593066 /nfs/dbraw/zinc/59/30/66/607593066.db2.gz WZXFXINUKYTZEU-UHFFFAOYSA-N -1 3 382.427 0.149 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCN2C(=O)CSC2=O)c1-c1nn[n-]n1 ZINC000826303617 607593068 /nfs/dbraw/zinc/59/30/68/607593068.db2.gz WZXFXINUKYTZEU-UHFFFAOYSA-N -1 3 382.427 0.149 20 0 GCADHM O=S(=O)(NC[C@@H]1COCCO1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826490604 607594571 /nfs/dbraw/zinc/59/45/71/607594571.db2.gz ATOWGNNPGGKSLY-SECBINFHSA-N -1 3 393.347 0.579 20 0 GCADHM O=C1c2ccccc2C(=O)N1CCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826483288 607595837 /nfs/dbraw/zinc/59/58/37/607595837.db2.gz IJRVJBLUZXMNAE-UHFFFAOYSA-N -1 3 398.404 0.441 20 0 GCADHM O=C1c2ccccc2C(=O)N1CCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826483288 607595839 /nfs/dbraw/zinc/59/58/39/607595839.db2.gz IJRVJBLUZXMNAE-UHFFFAOYSA-N -1 3 398.404 0.441 20 0 GCADHM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826483003 607598231 /nfs/dbraw/zinc/59/82/31/607598231.db2.gz XFNREOUCSMVWPK-NSHDSACASA-N -1 3 395.420 0.184 20 0 GCADHM NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCCCC1 ZINC000826390187 607599268 /nfs/dbraw/zinc/59/92/68/607599268.db2.gz SFDMMGUGFLFRBI-UHFFFAOYSA-N -1 3 384.849 0.987 20 0 GCADHM NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCCCC1 ZINC000826390187 607599270 /nfs/dbraw/zinc/59/92/70/607599270.db2.gz SFDMMGUGFLFRBI-UHFFFAOYSA-N -1 3 384.849 0.987 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)OCc1nccs1 ZINC000826412927 607599735 /nfs/dbraw/zinc/59/97/35/607599735.db2.gz JSSXKXYIELLYEX-UHFFFAOYSA-N -1 3 380.411 0.345 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)OCc1nccs1 ZINC000826412927 607599736 /nfs/dbraw/zinc/59/97/36/607599736.db2.gz JSSXKXYIELLYEX-UHFFFAOYSA-N -1 3 380.411 0.345 20 0 GCADHM C[C@](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)(C(N)=O)c1ccccc1 ZINC000824640127 607601564 /nfs/dbraw/zinc/60/15/64/607601564.db2.gz ASORRJBAKCTXFV-MRXNPFEDSA-N -1 3 390.400 0.685 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)NC1CCCC1 ZINC000826412850 607602347 /nfs/dbraw/zinc/60/23/47/607602347.db2.gz GBYCQAVXXNDMHM-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)NC1CCCC1 ZINC000826412850 607602349 /nfs/dbraw/zinc/60/23/49/607602349.db2.gz GBYCQAVXXNDMHM-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC(=O)NC2CCCCC2)c1-c1nnn[n-]1 ZINC000826302650 607602457 /nfs/dbraw/zinc/60/24/57/607602457.db2.gz OXWZSCMYIFGEKR-UHFFFAOYSA-N -1 3 378.458 0.902 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC(=O)NC2CCCCC2)c1-c1nn[n-]n1 ZINC000826302650 607602458 /nfs/dbraw/zinc/60/24/58/607602458.db2.gz OXWZSCMYIFGEKR-UHFFFAOYSA-N -1 3 378.458 0.902 20 0 GCADHM CN1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1=O ZINC000826016842 607603101 /nfs/dbraw/zinc/60/31/01/607603101.db2.gz GSTRHDVKNAKUGE-MRVPVSSYSA-N -1 3 390.347 0.395 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CCC1CC1 ZINC000824641384 607603591 /nfs/dbraw/zinc/60/35/91/607603591.db2.gz VGNZIAVADLJKRB-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CCC1CC1 ZINC000824641384 607603593 /nfs/dbraw/zinc/60/35/93/607603593.db2.gz VGNZIAVADLJKRB-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM COc1ccc(COC(=O)c2ccc(S(N)(=O)=O)s2)cc1-c1nnn[n-]1 ZINC000826206198 607604440 /nfs/dbraw/zinc/60/44/40/607604440.db2.gz IDKLYYNIWYKEGX-UHFFFAOYSA-N -1 3 395.422 0.941 20 0 GCADHM Cc1cc(S(N)(=O)=O)sc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826272514 607604741 /nfs/dbraw/zinc/60/47/41/607604741.db2.gz NTAGVKJIFQTWFB-UHFFFAOYSA-N -1 3 380.411 0.636 20 0 GCADHM COc1ccc(COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@H](C)O)cc1-c1nnn[n-]1 ZINC000826204669 607610803 /nfs/dbraw/zinc/61/08/03/607610803.db2.gz VFVRAJAJEJAVHR-HZMBPMFUSA-N -1 3 391.428 0.830 20 0 GCADHM COc1ccc(COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@H](C)O)cc1-c1nn[n-]n1 ZINC000826204669 607610804 /nfs/dbraw/zinc/61/08/04/607610804.db2.gz VFVRAJAJEJAVHR-HZMBPMFUSA-N -1 3 391.428 0.830 20 0 GCADHM C[C@H]([C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000824640211 607610111 /nfs/dbraw/zinc/61/01/11/607610111.db2.gz CWSLKGFCQRAENX-WDEREUQCSA-N -1 3 384.437 0.393 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826302122 607610312 /nfs/dbraw/zinc/61/03/12/607610312.db2.gz AQAAHOOYFROFKC-QWHCGFSZSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826302122 607610314 /nfs/dbraw/zinc/61/03/14/607610314.db2.gz AQAAHOOYFROFKC-QWHCGFSZSA-N -1 3 380.474 0.563 20 0 GCADHM O=C1CCCCN1CCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826479991 607610622 /nfs/dbraw/zinc/61/06/22/607610622.db2.gz OCJSFFIYFZFIAQ-UHFFFAOYSA-N -1 3 382.421 0.687 20 0 GCADHM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826157922 607610684 /nfs/dbraw/zinc/61/06/84/607610684.db2.gz RKCBHKNLTYDMSN-QMMMGPOBSA-N -1 3 388.837 0.031 20 0 GCADHM O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826492620 607611259 /nfs/dbraw/zinc/61/12/59/607611259.db2.gz VBFDKOMYYLNQBX-UHFFFAOYSA-N -1 3 383.397 0.321 20 0 GCADHM O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826492620 607611260 /nfs/dbraw/zinc/61/12/60/607611260.db2.gz VBFDKOMYYLNQBX-UHFFFAOYSA-N -1 3 383.397 0.321 20 0 GCADHM CNS(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1F ZINC000826090014 607611550 /nfs/dbraw/zinc/61/15/50/607611550.db2.gz BRALNUBVSULIQP-UHFFFAOYSA-N -1 3 392.372 0.666 20 0 GCADHM COc1ccc(COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826204389 607613510 /nfs/dbraw/zinc/61/35/10/607613510.db2.gz IYJLESSIFKFJGB-ZDUSSCGKSA-N -1 3 397.457 0.882 20 0 GCADHM COc1ccc(COC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826204389 607613512 /nfs/dbraw/zinc/61/35/12/607613512.db2.gz IYJLESSIFKFJGB-ZDUSSCGKSA-N -1 3 397.457 0.882 20 0 GCADHM CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826038023 607613658 /nfs/dbraw/zinc/61/36/58/607613658.db2.gz GJWHLUGBVUJRAK-LLVKDONJSA-N -1 3 385.881 0.044 20 0 GCADHM CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000826038023 607613659 /nfs/dbraw/zinc/61/36/59/607613659.db2.gz GJWHLUGBVUJRAK-LLVKDONJSA-N -1 3 385.881 0.044 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)CC2 ZINC000825750456 607616616 /nfs/dbraw/zinc/61/66/16/607616616.db2.gz QUPIISYQYCDVHK-NSHDSACASA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)CC2 ZINC000825750456 607616617 /nfs/dbraw/zinc/61/66/17/607616617.db2.gz QUPIISYQYCDVHK-NSHDSACASA-N -1 3 388.457 0.622 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000825838584 607616632 /nfs/dbraw/zinc/61/66/32/607616632.db2.gz AGRVLEXVKSOOIL-PWSUYJOCSA-N -1 3 396.448 0.931 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)o1 ZINC000826393213 607617609 /nfs/dbraw/zinc/61/76/09/607617609.db2.gz HXXWWRUIUATNKZ-SECBINFHSA-N -1 3 388.365 0.582 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)o1 ZINC000826393213 607617610 /nfs/dbraw/zinc/61/76/10/607617610.db2.gz HXXWWRUIUATNKZ-SECBINFHSA-N -1 3 388.365 0.582 20 0 GCADHM CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824123584 607617906 /nfs/dbraw/zinc/61/79/06/607617906.db2.gz GUWPTJMEHILQII-QHCPKHFHSA-N -1 3 375.451 0.831 20 0 GCADHM CC(C)(C)[S@](=O)CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824123583 607618119 /nfs/dbraw/zinc/61/81/19/607618119.db2.gz GUWPTJMEHILQII-HSZRJFAPSA-N -1 3 375.451 0.831 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)C2 ZINC000826090196 607618343 /nfs/dbraw/zinc/61/83/43/607618343.db2.gz DDGXTSRFBLOQAM-UHFFFAOYSA-N -1 3 386.441 0.754 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)C2 ZINC000826090196 607618344 /nfs/dbraw/zinc/61/83/44/607618344.db2.gz DDGXTSRFBLOQAM-UHFFFAOYSA-N -1 3 386.441 0.754 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC000824364682 607620844 /nfs/dbraw/zinc/62/08/44/607620844.db2.gz PXAMWHOIQAQTOV-LLVKDONJSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC000824364682 607620847 /nfs/dbraw/zinc/62/08/47/607620847.db2.gz PXAMWHOIQAQTOV-LLVKDONJSA-N -1 3 388.457 0.875 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1-c1nnn[n-]1 ZINC000826198188 607625335 /nfs/dbraw/zinc/62/53/35/607625335.db2.gz PNUPSKSKBHOLDX-CQSZACIVSA-N -1 3 398.427 0.682 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@@H](Cn3cccn3)C2)cc1-c1nn[n-]n1 ZINC000826198188 607625337 /nfs/dbraw/zinc/62/53/37/607625337.db2.gz PNUPSKSKBHOLDX-CQSZACIVSA-N -1 3 398.427 0.682 20 0 GCADHM CCN(CCO)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000825424662 607622606 /nfs/dbraw/zinc/62/26/06/607622606.db2.gz NGFNXMPHNKHVQC-UHFFFAOYSA-N -1 3 376.236 0.632 20 0 GCADHM CCN(CCO)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000825424662 607622608 /nfs/dbraw/zinc/62/26/08/607622608.db2.gz NGFNXMPHNKHVQC-UHFFFAOYSA-N -1 3 376.236 0.632 20 0 GCADHM CCN(C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000825376931 607623737 /nfs/dbraw/zinc/62/37/37/607623737.db2.gz QABVGLSZEPOQRZ-GFCCVEGCSA-N -1 3 394.457 0.594 20 0 GCADHM CCN(C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000825376931 607623739 /nfs/dbraw/zinc/62/37/39/607623739.db2.gz QABVGLSZEPOQRZ-GFCCVEGCSA-N -1 3 394.457 0.594 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826197558 607624310 /nfs/dbraw/zinc/62/43/10/607624310.db2.gz UJOJVYIAOAUHDZ-NSHDSACASA-N -1 3 380.430 0.204 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826197558 607624312 /nfs/dbraw/zinc/62/43/12/607624312.db2.gz UJOJVYIAOAUHDZ-NSHDSACASA-N -1 3 380.430 0.204 20 0 GCADHM CC(C)COC[C@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824272498 607626180 /nfs/dbraw/zinc/62/61/80/607626180.db2.gz YYKHUGMPBJPGQE-SNVBAGLBSA-N -1 3 389.865 0.832 20 0 GCADHM CC(C)COC[C@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824272498 607626181 /nfs/dbraw/zinc/62/61/81/607626181.db2.gz YYKHUGMPBJPGQE-SNVBAGLBSA-N -1 3 389.865 0.832 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H](O)COc2ccccc2)c1-c1nnn[n-]1 ZINC000826302684 607626823 /nfs/dbraw/zinc/62/68/23/607626823.db2.gz PZJBPQGTJCVFHD-CYBMUJFWSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H](O)COc2ccccc2)c1-c1nn[n-]n1 ZINC000826302684 607626824 /nfs/dbraw/zinc/62/68/24/607626824.db2.gz PZJBPQGTJCVFHD-CYBMUJFWSA-N -1 3 389.437 0.893 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H](O)COCC2CC2)cc1-c1nnn[n-]1 ZINC000826199512 607626896 /nfs/dbraw/zinc/62/68/96/607626896.db2.gz BDOVKEOGFRPDHK-ZDUSSCGKSA-N -1 3 376.417 0.462 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H](O)COCC2CC2)cc1-c1nn[n-]n1 ZINC000826199512 607626897 /nfs/dbraw/zinc/62/68/97/607626897.db2.gz BDOVKEOGFRPDHK-ZDUSSCGKSA-N -1 3 376.417 0.462 20 0 GCADHM COc1ccc(CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)cc1-c1nnn[n-]1 ZINC000826197012 607627497 /nfs/dbraw/zinc/62/74/97/607627497.db2.gz WLIZICSLTKQWHH-QGZVFWFLSA-N -1 3 387.400 0.260 20 0 GCADHM COc1ccc(CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)cc1-c1nn[n-]n1 ZINC000826197012 607627498 /nfs/dbraw/zinc/62/74/98/607627498.db2.gz WLIZICSLTKQWHH-QGZVFWFLSA-N -1 3 387.400 0.260 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CCCN2c2ncccn2)cc1-c1nnn[n-]1 ZINC000826197087 607627888 /nfs/dbraw/zinc/62/78/88/607627888.db2.gz YZFHKHNWYYCOTE-AWEZNQCLSA-N -1 3 380.412 0.951 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CCCN2c2ncccn2)cc1-c1nn[n-]n1 ZINC000826197087 607627889 /nfs/dbraw/zinc/62/78/89/607627889.db2.gz YZFHKHNWYYCOTE-AWEZNQCLSA-N -1 3 380.412 0.951 20 0 GCADHM O=S(=O)(N[C@H]1CCCc2c1cnn2CCO)c1ccccc1-c1nnn[n-]1 ZINC000826488251 607628307 /nfs/dbraw/zinc/62/83/07/607628307.db2.gz LOLGPIUWKOTOKP-ZDUSSCGKSA-N -1 3 389.441 0.411 20 0 GCADHM O=S(=O)(N[C@H]1CCCc2c1cnn2CCO)c1ccccc1-c1nn[n-]n1 ZINC000826488251 607628309 /nfs/dbraw/zinc/62/83/09/607628309.db2.gz LOLGPIUWKOTOKP-ZDUSSCGKSA-N -1 3 389.441 0.411 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccc(F)cc1)c1ccccc1-c1nnn[n-]1 ZINC000826489435 607629398 /nfs/dbraw/zinc/62/93/98/607629398.db2.gz PJOMVJBGPHCHSC-LBPRGKRZSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccc(F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000826489435 607629400 /nfs/dbraw/zinc/62/94/00/607629400.db2.gz PJOMVJBGPHCHSC-LBPRGKRZSA-N -1 3 393.400 0.724 20 0 GCADHM COc1cccc([C@H](O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826215729 607630699 /nfs/dbraw/zinc/63/06/99/607630699.db2.gz XIWBCHYJJBBAQS-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@H](O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826215729 607630701 /nfs/dbraw/zinc/63/07/01/607630701.db2.gz XIWBCHYJJBBAQS-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824705740 607631991 /nfs/dbraw/zinc/63/19/91/607631991.db2.gz CTXHWIBSJZQWFZ-SNVBAGLBSA-N -1 3 386.865 0.207 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824705740 607631992 /nfs/dbraw/zinc/63/19/92/607631992.db2.gz CTXHWIBSJZQWFZ-SNVBAGLBSA-N -1 3 386.865 0.207 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111920 607632405 /nfs/dbraw/zinc/63/24/05/607632405.db2.gz OJFXKRVXZTVCOY-HNNXBMFYSA-N -1 3 375.385 0.018 20 0 GCADHM Cc1nccn1CCCN(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826331138 607633064 /nfs/dbraw/zinc/63/30/64/607633064.db2.gz WMMZYAJRKGNFQI-UHFFFAOYSA-N -1 3 386.391 0.998 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000826495983 607635363 /nfs/dbraw/zinc/63/53/63/607635363.db2.gz HXOIJZKCRJJIHQ-GXSJLCMTSA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000826495983 607635364 /nfs/dbraw/zinc/63/53/64/607635364.db2.gz HXOIJZKCRJJIHQ-GXSJLCMTSA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000826495645 607635379 /nfs/dbraw/zinc/63/53/79/607635379.db2.gz VNYQJKYPONBCNN-WDEREUQCSA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000826495645 607635381 /nfs/dbraw/zinc/63/53/81/607635381.db2.gz VNYQJKYPONBCNN-WDEREUQCSA-N -1 3 377.348 0.943 20 0 GCADHM COC[C@](C)(O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826148265 607635965 /nfs/dbraw/zinc/63/59/65/607635965.db2.gz DKOYUBQJHXWDKP-GFCCVEGCSA-N -1 3 395.363 0.561 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC1(O)Cc2ccccc2C1 ZINC000826255980 607640131 /nfs/dbraw/zinc/64/01/31/607640131.db2.gz QIOOUTBUCAXKPW-UHFFFAOYSA-N -1 3 385.449 0.983 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC1(O)Cc2ccccc2C1 ZINC000826255980 607640132 /nfs/dbraw/zinc/64/01/32/607640132.db2.gz QIOOUTBUCAXKPW-UHFFFAOYSA-N -1 3 385.449 0.983 20 0 GCADHM CC(C)COC[C@@H](O)CN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000824271148 607641741 /nfs/dbraw/zinc/64/17/41/607641741.db2.gz LIDOHMWFWNIPRB-AWEZNQCLSA-N -1 3 391.476 0.888 20 0 GCADHM CC(C)COC[C@@H](O)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824271148 607641742 /nfs/dbraw/zinc/64/17/42/607641742.db2.gz LIDOHMWFWNIPRB-AWEZNQCLSA-N -1 3 391.476 0.888 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2ncccc2C(N)=O)CC1 ZINC000826183702 607644234 /nfs/dbraw/zinc/64/42/34/607644234.db2.gz YDMIBEZICLYUBV-UHFFFAOYSA-N -1 3 394.439 0.691 20 0 GCADHM C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824391021 607645340 /nfs/dbraw/zinc/64/53/40/607645340.db2.gz GFDOTUSOAPVMOH-ZCFIWIBFSA-N -1 3 378.336 0.428 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(O)c1 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393.347 0.173 20 0 GCADHM O=S(=O)(NCC1(CO)COC1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826490424 607678888 /nfs/dbraw/zinc/67/88/88/607678888.db2.gz VCWJFURBNMWVFI-UHFFFAOYSA-N -1 3 393.347 0.173 20 0 GCADHM COCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000826157326 607684339 /nfs/dbraw/zinc/68/43/39/607684339.db2.gz QYEMIUXGHFACFZ-ZDUSSCGKSA-N -1 3 379.442 0.451 20 0 GCADHM COCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000826157326 607684341 /nfs/dbraw/zinc/68/43/41/607684341.db2.gz QYEMIUXGHFACFZ-ZDUSSCGKSA-N -1 3 379.442 0.451 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000826246252 607684878 /nfs/dbraw/zinc/68/48/78/607684878.db2.gz XWPKLUITARVSTI-WBVHZDCISA-N -1 3 399.499 0.652 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000826250891 607688336 /nfs/dbraw/zinc/68/83/36/607688336.db2.gz XRLVJOVYGVROAW-UHFFFAOYSA-N -1 3 382.428 0.956 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000826250891 607688338 /nfs/dbraw/zinc/68/83/38/607688338.db2.gz XRLVJOVYGVROAW-UHFFFAOYSA-N -1 3 382.428 0.956 20 0 GCADHM CN(C(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1C(=O)[O-] ZINC000830486235 604371461 /nfs/dbraw/zinc/37/14/61/604371461.db2.gz WZJWQFHJPXQHDZ-QGZVFWFLSA-N -1 3 388.468 0.586 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000830935160 604371938 /nfs/dbraw/zinc/37/19/38/604371938.db2.gz QXWQEPJFNGFCKB-CYBMUJFWSA-N -1 3 380.470 0.623 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000830935161 604372066 /nfs/dbraw/zinc/37/20/66/604372066.db2.gz QXWQEPJFNGFCKB-ZDUSSCGKSA-N -1 3 380.470 0.623 20 0 GCADHM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826389269 607689196 /nfs/dbraw/zinc/68/91/96/607689196.db2.gz UBXDYHTVTBVFKM-OAHLLOKOSA-N -1 3 380.412 0.179 20 0 GCADHM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826389269 607689198 /nfs/dbraw/zinc/68/91/98/607689198.db2.gz UBXDYHTVTBVFKM-OAHLLOKOSA-N 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ZINC000833761571 604482074 /nfs/dbraw/zinc/48/20/74/604482074.db2.gz KHSBHSZEISYKEA-UHFFFAOYSA-N -1 3 377.441 0.934 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000830542731 604532853 /nfs/dbraw/zinc/53/28/53/604532853.db2.gz LJFDNARNGVZCTM-GFCCVEGCSA-N -1 3 396.469 0.444 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000824516036 607702054 /nfs/dbraw/zinc/70/20/54/607702054.db2.gz VJUWVDAOSHVFAR-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000824516036 607702055 /nfs/dbraw/zinc/70/20/55/607702055.db2.gz VJUWVDAOSHVFAR-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM C[C@@H](Oc1ccc(CN2CCO[C@H](CN3CCN(C)CC3)C2)cc1)C(=O)[O-] ZINC000833540176 604635622 /nfs/dbraw/zinc/63/56/22/604635622.db2.gz KXLYTCOAKYSDCB-VQIMIIECSA-N -1 3 377.485 0.987 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000826243706 607705694 /nfs/dbraw/zinc/70/56/94/607705694.db2.gz RVZWNRDPPALDRU-UHFFFAOYSA-N -1 3 378.458 0.671 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 ZINC000826243706 607705696 /nfs/dbraw/zinc/70/56/96/607705696.db2.gz RVZWNRDPPALDRU-UHFFFAOYSA-N -1 3 378.458 0.671 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000826471281 607706448 /nfs/dbraw/zinc/70/64/48/607706448.db2.gz UHRBGPGUTMEBMN-MNOVXSKESA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000826471281 607706449 /nfs/dbraw/zinc/70/64/49/607706449.db2.gz UHRBGPGUTMEBMN-MNOVXSKESA-N -1 3 380.430 0.003 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825211119 607707952 /nfs/dbraw/zinc/70/79/52/607707952.db2.gz LLTBCAFTKZJWAE-SWLSCSKDSA-N -1 3 392.485 0.965 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825211119 607707954 /nfs/dbraw/zinc/70/79/54/607707954.db2.gz LLTBCAFTKZJWAE-SWLSCSKDSA-N -1 3 392.485 0.965 20 0 GCADHM CC(C)N1CCN(C2CCN(S(=O)(=O)c3ccc(C(=O)[O-])nc3)CC2)CC1 ZINC000833500364 604701054 /nfs/dbraw/zinc/70/10/54/604701054.db2.gz XIPOQHUINLMHAO-UHFFFAOYSA-N -1 3 396.513 0.959 20 0 GCADHM COC(=O)c1sc(NC(=O)CN2CCO[C@@H](CN(C)C)C2)c(C(=O)[O-])c1C ZINC000831474878 604757648 /nfs/dbraw/zinc/75/76/48/604757648.db2.gz DRYRGPQSFOGDFA-NSHDSACASA-N -1 3 399.469 0.742 20 0 GCADHM COC(=O)c1cc(NC(=O)[C@@H](C)N2CCO[C@H](CN(C)C)C2)cc(C(=O)[O-])c1 ZINC000831257532 604759676 /nfs/dbraw/zinc/75/96/76/604759676.db2.gz JQMYIKFHTHFGQK-MLGOLLRUSA-N -1 3 393.440 0.761 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000826398982 607713700 /nfs/dbraw/zinc/71/37/00/607713700.db2.gz JPOPAHWTZSVLQD-NSHDSACASA-N -1 3 379.471 0.285 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000826398982 607713702 /nfs/dbraw/zinc/71/37/02/607713702.db2.gz JPOPAHWTZSVLQD-NSHDSACASA-N -1 3 379.471 0.285 20 0 GCADHM NC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccc(Br)c1 ZINC000826388497 607713706 /nfs/dbraw/zinc/71/37/06/607713706.db2.gz BESUTLJGKSSPFG-NSHDSACASA-N -1 3 390.201 0.914 20 0 GCADHM NC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccc(Br)c1 ZINC000826388497 607713707 /nfs/dbraw/zinc/71/37/07/607713707.db2.gz BESUTLJGKSSPFG-NSHDSACASA-N -1 3 390.201 0.914 20 0 GCADHM CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825986154 607714554 /nfs/dbraw/zinc/71/45/54/607714554.db2.gz QUJCUXFBPKMUPT-CYBMUJFWSA-N -1 3 387.425 0.962 20 0 GCADHM CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825986154 607714556 /nfs/dbraw/zinc/71/45/56/607714556.db2.gz QUJCUXFBPKMUPT-CYBMUJFWSA-N -1 3 387.425 0.962 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(Cc2ccccc2)CC1 ZINC000826432458 607719956 /nfs/dbraw/zinc/71/99/56/607719956.db2.gz BIJJGDAEAVWLFQ-UHFFFAOYSA-N -1 3 394.439 0.269 20 0 GCADHM O=C(NCc1cccc(F)n1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826442788 607722796 /nfs/dbraw/zinc/72/27/96/607722796.db2.gz LIJVKDRDIHCCDJ-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1cccc(F)n1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826442788 607722798 /nfs/dbraw/zinc/72/27/98/607722798.db2.gz LIJVKDRDIHCCDJ-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000824040642 607724706 /nfs/dbraw/zinc/72/47/06/607724706.db2.gz RTSXVEMLKFRLQT-LBPRGKRZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000824040642 607724708 /nfs/dbraw/zinc/72/47/08/607724708.db2.gz RTSXVEMLKFRLQT-LBPRGKRZSA-N -1 3 386.460 0.400 20 0 GCADHM CC(C)(C(=O)[O-])[C@H]1CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000833421694 604951069 /nfs/dbraw/zinc/95/10/69/604951069.db2.gz YOETZXUVLIIGJH-HNNXBMFYSA-N -1 3 391.468 0.990 20 0 GCADHM CCOc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC000825615583 607727178 /nfs/dbraw/zinc/72/71/78/607727178.db2.gz BLMUYGZRXSMCHQ-UHFFFAOYSA-N -1 3 383.416 0.654 20 0 GCADHM CCOc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC000825615583 607727180 /nfs/dbraw/zinc/72/71/80/607727180.db2.gz BLMUYGZRXSMCHQ-UHFFFAOYSA-N -1 3 383.416 0.654 20 0 GCADHM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000833714932 605017347 /nfs/dbraw/zinc/01/73/47/605017347.db2.gz LMCGZUGXCSJFHU-NSHDSACASA-N -1 3 382.438 0.934 20 0 GCADHM CCOCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000825593725 607737159 /nfs/dbraw/zinc/73/71/59/607737159.db2.gz BHEAXHGQGGSBAK-UHFFFAOYSA-N -1 3 375.433 0.590 20 0 GCADHM CCOCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000825593725 607737160 /nfs/dbraw/zinc/73/71/60/607737160.db2.gz BHEAXHGQGGSBAK-UHFFFAOYSA-N -1 3 375.433 0.590 20 0 GCADHM C[C@H]1CN(CCC(=O)[O-])CCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000833629116 605188972 /nfs/dbraw/zinc/18/89/72/605188972.db2.gz RGLKFZWUTYYKSP-UONOGXRCSA-N -1 3 375.425 0.124 20 0 GCADHM C[C@@H]1CN(CCC(=O)[O-])CCN1C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000833629119 605189645 /nfs/dbraw/zinc/18/96/45/605189645.db2.gz RGLKFZWUTYYKSP-ZIAGYGMSSA-N -1 3 375.425 0.124 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000825962230 607739757 /nfs/dbraw/zinc/73/97/57/607739757.db2.gz UMMURQPYYUILDE-AWEZNQCLSA-N -1 3 389.441 0.845 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000825962230 607739758 /nfs/dbraw/zinc/73/97/58/607739758.db2.gz UMMURQPYYUILDE-AWEZNQCLSA-N -1 3 389.441 0.845 20 0 GCADHM C[C@H]1CN(CCC(=O)[O-])CCN1CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000833628556 605196651 /nfs/dbraw/zinc/19/66/51/605196651.db2.gz KLMPBPXEFOXHCN-HNNXBMFYSA-N -1 3 399.513 0.797 20 0 GCADHM C[C@H](Oc1ccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1)C(=O)[O-] ZINC000833537781 605235863 /nfs/dbraw/zinc/23/58/63/605235863.db2.gz ANMYZHVPNHQVCQ-DOTOQJQBSA-N -1 3 391.468 0.561 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cn2)C[C@H](C)O1 ZINC000824966785 607742733 /nfs/dbraw/zinc/74/27/33/607742733.db2.gz DUPCPGGIFSGNRS-QWRGUYRKSA-N -1 3 399.415 0.279 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cn2)C[C@H](C)O1 ZINC000824966785 607742734 /nfs/dbraw/zinc/74/27/34/607742734.db2.gz DUPCPGGIFSGNRS-QWRGUYRKSA-N -1 3 399.415 0.279 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](Cn3ccnn3)C2)c1-c1nnn[n-]1 ZINC000826302032 607744131 /nfs/dbraw/zinc/74/41/31/607744131.db2.gz YOLGQZDGHVPNMJ-CYBMUJFWSA-N -1 3 388.457 0.868 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](Cn3ccnn3)C2)c1-c1nn[n-]n1 ZINC000826302032 607744132 /nfs/dbraw/zinc/74/41/32/607744132.db2.gz YOLGQZDGHVPNMJ-CYBMUJFWSA-N -1 3 388.457 0.868 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000823973574 607746303 /nfs/dbraw/zinc/74/63/03/607746303.db2.gz KVROXOPUDVISDD-XPTSAGLGSA-N -1 3 382.421 0.541 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000823973574 607746304 /nfs/dbraw/zinc/74/63/04/607746304.db2.gz KVROXOPUDVISDD-XPTSAGLGSA-N -1 3 382.421 0.541 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)[C@@H](C)C1 ZINC000823974500 607746343 /nfs/dbraw/zinc/74/63/43/607746343.db2.gz POCXFFKKMCDFJC-SMDDNHRTSA-N -1 3 378.458 0.710 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)[C@@H](C)C1 ZINC000823974500 607746344 /nfs/dbraw/zinc/74/63/44/607746344.db2.gz POCXFFKKMCDFJC-SMDDNHRTSA-N -1 3 378.458 0.710 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000823975351 607746400 /nfs/dbraw/zinc/74/64/00/607746400.db2.gz XDOSAARGKHLASE-WCQYABFASA-N -1 3 378.458 0.710 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000823975351 607746401 /nfs/dbraw/zinc/74/64/01/607746401.db2.gz XDOSAARGKHLASE-WCQYABFASA-N -1 3 378.458 0.710 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC000824506359 607751732 /nfs/dbraw/zinc/75/17/32/607751732.db2.gz NHSFSGFIIIYFLM-ZWNOBZJWSA-N -1 3 391.432 0.949 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC000824506359 607751733 /nfs/dbraw/zinc/75/17/33/607751733.db2.gz NHSFSGFIIIYFLM-ZWNOBZJWSA-N -1 3 391.432 0.949 20 0 GCADHM CCC(CC)(CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)OC ZINC000825089736 607756944 /nfs/dbraw/zinc/75/69/44/607756944.db2.gz MCUAPBSBHXRDBA-UHFFFAOYSA-N -1 3 390.448 0.952 20 0 GCADHM CCC(CC)(CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)OC ZINC000825089736 607756945 /nfs/dbraw/zinc/75/69/45/607756945.db2.gz MCUAPBSBHXRDBA-UHFFFAOYSA-N -1 3 390.448 0.952 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(N)=O)cc1-c1nnn[n-]1 ZINC000825545432 607761668 /nfs/dbraw/zinc/76/16/68/607761668.db2.gz RNZUNFWAHBYNPN-LBPRGKRZSA-N -1 3 388.388 0.917 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(N)=O)cc1-c1nn[n-]n1 ZINC000825545432 607761669 /nfs/dbraw/zinc/76/16/69/607761669.db2.gz RNZUNFWAHBYNPN-LBPRGKRZSA-N -1 3 388.388 0.917 20 0 GCADHM CCNC(=O)CNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000825471155 607765210 /nfs/dbraw/zinc/76/52/10/607765210.db2.gz OIANCLQBCCJEKT-UHFFFAOYSA-N -1 3 376.377 0.693 20 0 GCADHM CCNC(=O)CNC(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000825471155 607765211 /nfs/dbraw/zinc/76/52/11/607765211.db2.gz OIANCLQBCCJEKT-UHFFFAOYSA-N -1 3 376.377 0.693 20 0 GCADHM CCC(CC)(CNC(=O)NCCNc1ncccc1-c1nnn[n-]1)C(=O)OC ZINC000825089925 607761888 /nfs/dbraw/zinc/76/18/88/607761888.db2.gz PJSPRNNVNNRZQW-UHFFFAOYSA-N -1 3 390.448 0.952 20 0 GCADHM CCC(CC)(CNC(=O)NCCNc1ncccc1-c1nn[n-]n1)C(=O)OC ZINC000825089925 607761889 /nfs/dbraw/zinc/76/18/89/607761889.db2.gz PJSPRNNVNNRZQW-UHFFFAOYSA-N -1 3 390.448 0.952 20 0 GCADHM CN(C)c1ncc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000825884214 607768098 /nfs/dbraw/zinc/76/80/98/607768098.db2.gz VWOUPJMRRCGKCG-UHFFFAOYSA-N -1 3 395.431 0.472 20 0 GCADHM CN(C)c1ncc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000825884214 607768099 /nfs/dbraw/zinc/76/80/99/607768099.db2.gz VWOUPJMRRCGKCG-UHFFFAOYSA-N -1 3 395.431 0.472 20 0 GCADHM 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CCCC[C@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821042650 606309381 /nfs/dbraw/zinc/30/93/81/606309381.db2.gz GTBGKGMITFFMIU-CYBMUJFWSA-N -1 3 392.441 0.751 20 0 GCADHM O=C1NC2(CCC2)C(=O)N1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823541612 606309712 /nfs/dbraw/zinc/30/97/12/606309712.db2.gz RLHAPXXYMWXWLB-UHFFFAOYSA-N -1 3 376.398 0.115 20 0 GCADHM O=C1NC2(CCC2)C(=O)N1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823541612 606309713 /nfs/dbraw/zinc/30/97/13/606309713.db2.gz RLHAPXXYMWXWLB-UHFFFAOYSA-N -1 3 376.398 0.115 20 0 GCADHM Nc1nc(N)nc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n1 ZINC000822907215 606311280 /nfs/dbraw/zinc/31/12/80/606311280.db2.gz BNTRQVZDRMPIDL-ZCFIWIBFSA-N -1 3 376.431 0.175 20 0 GCADHM Nc1nc(N)nc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n1 ZINC000822907215 606311281 /nfs/dbraw/zinc/31/12/81/606311281.db2.gz BNTRQVZDRMPIDL-ZCFIWIBFSA-N -1 3 376.431 0.175 20 0 GCADHM CN(CC(=O)NC(C)(C)C)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821592419 606313624 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/nfs/dbraw/zinc/37/43/52/606374352.db2.gz HTXYBYOTKYKOQW-LLVKDONJSA-N -1 3 396.392 0.933 20 0 GCADHM COC(=O)[C@H](OC(=O)CCCS(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821647261 606376666 /nfs/dbraw/zinc/37/66/66/606376666.db2.gz WQDYMKNAISCEOK-CYBMUJFWSA-N -1 3 382.398 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)CCCS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821647261 606376668 /nfs/dbraw/zinc/37/66/68/606376668.db2.gz WQDYMKNAISCEOK-CYBMUJFWSA-N -1 3 382.398 0.449 20 0 GCADHM COc1ncc(C(=O)O[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cn1 ZINC000821911058 606377105 /nfs/dbraw/zinc/37/71/05/606377105.db2.gz MCZHQCNYVLCHJP-SNVBAGLBSA-N -1 3 387.381 0.689 20 0 GCADHM COc1ncc(C(=O)O[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cn1 ZINC000821911058 606377107 /nfs/dbraw/zinc/37/71/07/606377107.db2.gz MCZHQCNYVLCHJP-SNVBAGLBSA-N -1 3 387.381 0.689 20 0 GCADHM COC(=O)NCCC(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821665038 606377400 /nfs/dbraw/zinc/37/74/00/606377400.db2.gz SLQSCSIGXJFKTF-VIFPVBQESA-N -1 3 380.386 0.323 20 0 GCADHM COC(=O)NCCC(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821665038 606377402 /nfs/dbraw/zinc/37/74/02/606377402.db2.gz SLQSCSIGXJFKTF-VIFPVBQESA-N -1 3 380.386 0.323 20 0 GCADHM O=C(O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)[C@H](O)C1CCOCC1 ZINC000823392371 606379067 /nfs/dbraw/zinc/37/90/67/606379067.db2.gz OYGXXRSJAYXBHL-NWDGAFQWSA-N -1 3 393.425 0.364 20 0 GCADHM O=C(O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)[C@H](O)C1CCOCC1 ZINC000823392371 606379069 /nfs/dbraw/zinc/37/90/69/606379069.db2.gz OYGXXRSJAYXBHL-NWDGAFQWSA-N -1 3 393.425 0.364 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)O[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822880522 606380975 /nfs/dbraw/zinc/38/09/75/606380975.db2.gz QPWPQPUEVQGKCX-SNVBAGLBSA-N -1 3 387.381 0.318 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)O[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822880522 606380976 /nfs/dbraw/zinc/38/09/76/606380976.db2.gz QPWPQPUEVQGKCX-SNVBAGLBSA-N -1 3 387.381 0.318 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000822659427 606383221 /nfs/dbraw/zinc/38/32/21/606383221.db2.gz KOJWBVUOFZNXRH-ZDUSSCGKSA-N -1 3 382.380 0.482 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000822659427 606383222 /nfs/dbraw/zinc/38/32/22/606383222.db2.gz KOJWBVUOFZNXRH-ZDUSSCGKSA-N -1 3 382.380 0.482 20 0 GCADHM COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821670256 606384656 /nfs/dbraw/zinc/38/46/56/606384656.db2.gz UYZJOGNNZNFMNX-UHFFFAOYSA-N -1 3 384.352 0.787 20 0 GCADHM COC(=O)c1ccccc1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821670256 606384658 /nfs/dbraw/zinc/38/46/58/606384658.db2.gz UYZJOGNNZNFMNX-UHFFFAOYSA-N -1 3 384.352 0.787 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)O[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000822655711 606385296 /nfs/dbraw/zinc/38/52/96/606385296.db2.gz UVDBKBQJXRSWDO-ZDUSSCGKSA-N -1 3 390.400 0.941 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)O[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O ZINC000822655711 606385298 /nfs/dbraw/zinc/38/52/98/606385298.db2.gz UVDBKBQJXRSWDO-ZDUSSCGKSA-N -1 3 390.400 0.941 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NC(=O)NCc1cccs1 ZINC000822659988 606386022 /nfs/dbraw/zinc/38/60/22/606386022.db2.gz STKMUHLJOOCSKK-UHFFFAOYSA-N -1 3 389.397 0.450 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NC(=O)NCc1cccs1 ZINC000822659988 606386023 /nfs/dbraw/zinc/38/60/23/606386023.db2.gz STKMUHLJOOCSKK-UHFFFAOYSA-N -1 3 389.397 0.450 20 0 GCADHM CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000819781967 606387977 /nfs/dbraw/zinc/38/79/77/606387977.db2.gz FZEHHSOXCXZRFC-HNNXBMFYSA-N -1 3 396.407 0.679 20 0 GCADHM CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000819781967 606387978 /nfs/dbraw/zinc/38/79/78/606387978.db2.gz FZEHHSOXCXZRFC-HNNXBMFYSA-N -1 3 396.407 0.679 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCOc1cccc(S(C)(=O)=O)c1 ZINC000822659523 606388059 /nfs/dbraw/zinc/38/80/59/606388059.db2.gz OKHVALUMYMFBLO-UHFFFAOYSA-N -1 3 391.409 0.845 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCOc1cccc(S(C)(=O)=O)c1 ZINC000822659523 606388061 /nfs/dbraw/zinc/38/80/61/606388061.db2.gz OKHVALUMYMFBLO-UHFFFAOYSA-N -1 3 391.409 0.845 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000822660280 606388256 /nfs/dbraw/zinc/38/82/56/606388256.db2.gz VBYWNFRKYCLKBS-SNVBAGLBSA-N -1 3 388.344 0.235 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000822660280 606388257 /nfs/dbraw/zinc/38/82/57/606388257.db2.gz VBYWNFRKYCLKBS-SNVBAGLBSA-N -1 3 388.344 0.235 20 0 GCADHM COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cn2C)c1C ZINC000821667112 606388673 /nfs/dbraw/zinc/38/86/73/606388673.db2.gz VOQCCCYOCPRYHZ-UHFFFAOYSA-N -1 3 386.368 0.976 20 0 GCADHM COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cn2C)c1C ZINC000821667112 606388674 /nfs/dbraw/zinc/38/86/74/606388674.db2.gz VOQCCCYOCPRYHZ-UHFFFAOYSA-N -1 3 386.368 0.976 20 0 GCADHM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C)C(=O)OC ZINC000820859968 606390252 /nfs/dbraw/zinc/39/02/52/606390252.db2.gz HOBZRURUTCFVQE-NOZJJQNGSA-N -1 3 378.389 0.066 20 0 GCADHM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C)C(=O)OC ZINC000820859968 606390254 /nfs/dbraw/zinc/39/02/54/606390254.db2.gz HOBZRURUTCFVQE-NOZJJQNGSA-N -1 3 378.389 0.066 20 0 GCADHM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccco1 ZINC000821580026 606393153 /nfs/dbraw/zinc/39/31/53/606393153.db2.gz WTTGRSGCVYMVRT-ZDUSSCGKSA-N -1 3 387.375 0.956 20 0 GCADHM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccco1 ZINC000821580026 606393155 /nfs/dbraw/zinc/39/31/55/606393155.db2.gz WTTGRSGCVYMVRT-ZDUSSCGKSA-N -1 3 387.375 0.956 20 0 GCADHM O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823188215 606393873 /nfs/dbraw/zinc/39/38/73/606393873.db2.gz VOMDQMMHBDMBDA-UHFFFAOYSA-N -1 3 375.364 0.073 20 0 GCADHM O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823188215 606393875 /nfs/dbraw/zinc/39/38/75/606393875.db2.gz VOMDQMMHBDMBDA-UHFFFAOYSA-N -1 3 375.364 0.073 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1nnc2ccccn21 ZINC000820315615 606394349 /nfs/dbraw/zinc/39/43/49/606394349.db2.gz ORJUKGUCAUXHMF-VIFPVBQESA-N -1 3 395.358 0.864 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1nnc2ccccn21 ZINC000820315615 606394351 /nfs/dbraw/zinc/39/43/51/606394351.db2.gz ORJUKGUCAUXHMF-VIFPVBQESA-N -1 3 395.358 0.864 20 0 GCADHM CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000821589694 606395298 /nfs/dbraw/zinc/39/52/98/606395298.db2.gz ZBYYJEHEWUZUGW-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000821589694 606395300 /nfs/dbraw/zinc/39/53/00/606395300.db2.gz ZBYYJEHEWUZUGW-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000819804082 606395581 /nfs/dbraw/zinc/39/55/81/606395581.db2.gz UBTKTMQLJHNLJF-LLVKDONJSA-N -1 3 375.364 0.071 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000819804082 606395583 /nfs/dbraw/zinc/39/55/83/606395583.db2.gz UBTKTMQLJHNLJF-LLVKDONJSA-N -1 3 375.364 0.071 20 0 GCADHM CC(C)(C)OC(=O)NCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819940147 606397731 /nfs/dbraw/zinc/39/77/31/606397731.db2.gz QCESWTBPRFXLGV-UHFFFAOYSA-N -1 3 393.379 0.585 20 0 GCADHM CC(C)(C)OC(=O)NCCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819940147 606397732 /nfs/dbraw/zinc/39/77/32/606397732.db2.gz QCESWTBPRFXLGV-UHFFFAOYSA-N -1 3 393.379 0.585 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821687558 606398081 /nfs/dbraw/zinc/39/80/81/606398081.db2.gz FGFFAUUSDALCBG-UHFFFAOYSA-N -1 3 380.380 0.456 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821687558 606398083 /nfs/dbraw/zinc/39/80/83/606398083.db2.gz FGFFAUUSDALCBG-UHFFFAOYSA-N -1 3 380.380 0.456 20 0 GCADHM O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823165899 606400249 /nfs/dbraw/zinc/40/02/49/606400249.db2.gz BOMTUUSOJNRIHC-CYBMUJFWSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823165899 606400251 /nfs/dbraw/zinc/40/02/51/606400251.db2.gz BOMTUUSOJNRIHC-CYBMUJFWSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(CN1C(=O)c2ccc(F)cc2C1=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822991854 606400342 /nfs/dbraw/zinc/40/03/42/606400342.db2.gz HFTPEHLGDNRZSD-UHFFFAOYSA-N -1 3 380.339 0.918 20 0 GCADHM O=C(CN1C(=O)c2ccc(F)cc2C1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822991854 606400343 /nfs/dbraw/zinc/40/03/43/606400343.db2.gz HFTPEHLGDNRZSD-UHFFFAOYSA-N -1 3 380.339 0.918 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823210937 606401807 /nfs/dbraw/zinc/40/18/07/606401807.db2.gz HWLLWBMOLXMWTO-LLVKDONJSA-N -1 3 378.364 0.256 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823210937 606401808 /nfs/dbraw/zinc/40/18/08/606401808.db2.gz HWLLWBMOLXMWTO-LLVKDONJSA-N -1 3 378.364 0.256 20 0 GCADHM COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)CC(C)C ZINC000821640120 606403150 /nfs/dbraw/zinc/40/31/50/606403150.db2.gz AUPLRDXAULMLAO-JTQLQIEISA-N -1 3 392.391 0.896 20 0 GCADHM COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)CC(C)C ZINC000821640120 606403151 /nfs/dbraw/zinc/40/31/51/606403151.db2.gz AUPLRDXAULMLAO-JTQLQIEISA-N -1 3 392.391 0.896 20 0 GCADHM O=C(NCCCOC[C@H]1CCOC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823191895 606403299 /nfs/dbraw/zinc/40/32/99/606403299.db2.gz RMIWUFNUTPYRHB-LLVKDONJSA-N -1 3 392.391 0.504 20 0 GCADHM O=C(NCCCOC[C@H]1CCOC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823191895 606403300 /nfs/dbraw/zinc/40/33/00/606403300.db2.gz RMIWUFNUTPYRHB-LLVKDONJSA-N -1 3 392.391 0.504 20 0 GCADHM O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823166519 606403437 /nfs/dbraw/zinc/40/34/37/606403437.db2.gz MDKVZWZPIIBCNA-GFCCVEGCSA-N -1 3 376.373 0.856 20 0 GCADHM O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823166519 606403439 /nfs/dbraw/zinc/40/34/39/606403439.db2.gz MDKVZWZPIIBCNA-GFCCVEGCSA-N -1 3 376.373 0.856 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)C2)cn1 ZINC000822674293 606405129 /nfs/dbraw/zinc/40/51/29/606405129.db2.gz PWYIWYRUKKSQPL-LLVKDONJSA-N -1 3 398.402 0.769 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)C2)cn1 ZINC000822674293 606405131 /nfs/dbraw/zinc/40/51/31/606405131.db2.gz PWYIWYRUKKSQPL-LLVKDONJSA-N -1 3 398.402 0.769 20 0 GCADHM C[C@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000820636619 606428953 /nfs/dbraw/zinc/42/89/53/606428953.db2.gz VFBIHYJTMTZPMF-GOSISDBHSA-N -1 3 392.379 0.667 20 0 GCADHM C[C@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000820636619 606428956 /nfs/dbraw/zinc/42/89/56/606428956.db2.gz VFBIHYJTMTZPMF-GOSISDBHSA-N -1 3 392.379 0.667 20 0 GCADHM COc1cc(OC)cc(-n2nnnc2CN(C)c2ncccc2-c2nnn[n-]2)c1 ZINC000821723512 606430489 /nfs/dbraw/zinc/43/04/89/606430489.db2.gz CBZMEFLHVBLIJI-UHFFFAOYSA-N -1 3 394.399 0.891 20 0 GCADHM COc1cc(OC)cc(-n2nnnc2CN(C)c2ncccc2-c2nn[n-]n2)c1 ZINC000821723512 606430491 /nfs/dbraw/zinc/43/04/91/606430491.db2.gz CBZMEFLHVBLIJI-UHFFFAOYSA-N -1 3 394.399 0.891 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(Nc3ncccc3-c3nnn[n-]3)cn2)C[C@@H](C)O1 ZINC000820734666 606431586 /nfs/dbraw/zinc/43/15/86/606431586.db2.gz NTYJJOXEYUKSIM-VXGBXAGGSA-N -1 3 383.416 0.838 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(Nc3ncccc3-c3nn[n-]n3)cn2)C[C@@H](C)O1 ZINC000820734666 606431588 /nfs/dbraw/zinc/43/15/88/606431588.db2.gz NTYJJOXEYUKSIM-VXGBXAGGSA-N -1 3 383.416 0.838 20 0 GCADHM C[C@@]1([C@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)NC(=O)NC1=O ZINC000820613086 606434193 /nfs/dbraw/zinc/43/41/93/606434193.db2.gz SHGWFSUVYCJWOC-VOJFVSQTSA-N -1 3 382.428 0.565 20 0 GCADHM C[C@@]1([C@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)NC(=O)NC1=O ZINC000820613086 606434195 /nfs/dbraw/zinc/43/41/95/606434195.db2.gz SHGWFSUVYCJWOC-VOJFVSQTSA-N -1 3 382.428 0.565 20 0 GCADHM C[C@]1([C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)NC(=O)NC1=O ZINC000820612141 606434231 /nfs/dbraw/zinc/43/42/31/606434231.db2.gz BFVPTBHPXMRESK-BJOHPYRUSA-N -1 3 376.808 0.730 20 0 GCADHM C[C@]1([C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)NC(=O)NC1=O ZINC000820612141 606434233 /nfs/dbraw/zinc/43/42/33/606434233.db2.gz BFVPTBHPXMRESK-BJOHPYRUSA-N -1 3 376.808 0.730 20 0 GCADHM C[C@]1(C2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)NC(=O)NC1=O ZINC000820612155 606435352 /nfs/dbraw/zinc/43/53/52/606435352.db2.gz BJZIRBMJFBTADI-QGZVFWFLSA-N -1 3 384.400 0.709 20 0 GCADHM C[C@]1(C2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)NC(=O)NC1=O ZINC000820612155 606435353 /nfs/dbraw/zinc/43/53/53/606435353.db2.gz BJZIRBMJFBTADI-QGZVFWFLSA-N -1 3 384.400 0.709 20 0 GCADHM CN1C(=O)NC2(CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)C1=O ZINC000821620384 606437091 /nfs/dbraw/zinc/43/70/91/606437091.db2.gz IEMBLDRSPXBWMS-UHFFFAOYSA-N -1 3 383.412 0.342 20 0 GCADHM CN1C(=O)NC2(CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000821620384 606437093 /nfs/dbraw/zinc/43/70/93/606437093.db2.gz IEMBLDRSPXBWMS-UHFFFAOYSA-N -1 3 383.412 0.342 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1CCN(CCO)CC1 ZINC000823498539 606437578 /nfs/dbraw/zinc/43/75/78/606437578.db2.gz UBNUUWJXAQCLKI-UHFFFAOYSA-N -1 3 398.423 0.789 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1CCN(CCO)CC1 ZINC000823498539 606437580 /nfs/dbraw/zinc/43/75/80/606437580.db2.gz UBNUUWJXAQCLKI-UHFFFAOYSA-N -1 3 398.423 0.789 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821620543 606438784 /nfs/dbraw/zinc/43/87/84/606438784.db2.gz OKARRSHQYYMESG-GTNSWQLSSA-N -1 3 384.400 0.709 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821620543 606438786 /nfs/dbraw/zinc/43/87/86/606438786.db2.gz OKARRSHQYYMESG-GTNSWQLSSA-N -1 3 384.400 0.709 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000821620227 606440590 /nfs/dbraw/zinc/44/05/90/606440590.db2.gz CEMATAXDUFHYDS-UGSOOPFHSA-N -1 3 398.427 0.386 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000821620227 606440592 /nfs/dbraw/zinc/44/05/92/606440592.db2.gz CEMATAXDUFHYDS-UGSOOPFHSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@@H](NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C(=O)N(C)C ZINC000736112910 606442682 /nfs/dbraw/zinc/44/26/82/606442682.db2.gz KKGIPZLEKVSRHW-GFCCVEGCSA-N -1 3 387.444 0.896 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821620259 606444991 /nfs/dbraw/zinc/44/49/91/606444991.db2.gz DBXWFDKKZFXHTJ-KUHUBIRLSA-N -1 3 397.439 0.636 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821620259 606444992 /nfs/dbraw/zinc/44/49/92/606444992.db2.gz DBXWFDKKZFXHTJ-KUHUBIRLSA-N -1 3 397.439 0.636 20 0 GCADHM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821620921 606445582 /nfs/dbraw/zinc/44/55/82/606445582.db2.gz ZUDXDWGGBVWLSI-SCLBCKFNSA-N -1 3 383.412 0.246 20 0 GCADHM CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821620921 606445583 /nfs/dbraw/zinc/44/55/83/606445583.db2.gz ZUDXDWGGBVWLSI-SCLBCKFNSA-N -1 3 383.412 0.246 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)CCN2C1=O ZINC000821239338 606449342 /nfs/dbraw/zinc/44/93/42/606449342.db2.gz AUQHMZZHWDXJEI-DGCLKSJQSA-N -1 3 399.411 0.129 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)CCN2C1=O ZINC000821239338 606449344 /nfs/dbraw/zinc/44/93/44/606449344.db2.gz AUQHMZZHWDXJEI-DGCLKSJQSA-N -1 3 399.411 0.129 20 0 GCADHM COC(=O)[C@@]1(F)CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821653770 606453979 /nfs/dbraw/zinc/45/39/79/606453979.db2.gz KMQGETPLNLKZAY-OAHLLOKOSA-N -1 3 383.405 0.227 20 0 GCADHM COC(=O)[C@@]1(F)CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821653770 606453981 /nfs/dbraw/zinc/45/39/81/606453981.db2.gz KMQGETPLNLKZAY-OAHLLOKOSA-N -1 3 383.405 0.227 20 0 GCADHM CCN1C(=O)[C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)CCN2C1=O ZINC000821239219 606454440 /nfs/dbraw/zinc/45/44/40/606454440.db2.gz ABFREQIQILOGKN-FZMZJTMJSA-N -1 3 398.427 0.162 20 0 GCADHM CCN1C(=O)[C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)CCN2C1=O ZINC000821239219 606454441 /nfs/dbraw/zinc/45/44/41/606454441.db2.gz ABFREQIQILOGKN-FZMZJTMJSA-N -1 3 398.427 0.162 20 0 GCADHM COC(=O)Cc1ccccc1NC(=O)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821663545 606455130 /nfs/dbraw/zinc/45/51/30/606455130.db2.gz BVUZVWXEVMULKK-UHFFFAOYSA-N -1 3 394.391 0.837 20 0 GCADHM COC(=O)Cc1ccccc1NC(=O)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821663545 606455132 /nfs/dbraw/zinc/45/51/32/606455132.db2.gz BVUZVWXEVMULKK-UHFFFAOYSA-N -1 3 394.391 0.837 20 0 GCADHM COC(=O)C[C@H]1CN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CCO1 ZINC000821660092 606455178 /nfs/dbraw/zinc/45/51/78/606455178.db2.gz FORHIHWKVZGWJZ-JTQLQIEISA-N -1 3 380.430 0.521 20 0 GCADHM COC(=O)C[C@H]1CN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CCO1 ZINC000821660092 606455181 /nfs/dbraw/zinc/45/51/81/606455181.db2.gz FORHIHWKVZGWJZ-JTQLQIEISA-N -1 3 380.430 0.521 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)c1-c1nnn[n-]1 ZINC000822315108 606457147 /nfs/dbraw/zinc/45/71/47/606457147.db2.gz ZGDUGKYJDXLCEO-UHFFFAOYSA-N -1 3 383.412 0.242 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC3(CNC(=O)C3)CC2)c1-c1nn[n-]n1 ZINC000822315108 606457150 /nfs/dbraw/zinc/45/71/50/606457150.db2.gz ZGDUGKYJDXLCEO-UHFFFAOYSA-N -1 3 383.412 0.242 20 0 GCADHM CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821035033 606457233 /nfs/dbraw/zinc/45/72/33/606457233.db2.gz ZJBNKDQRWXMFSX-KGLIPLIRSA-N -1 3 395.427 0.750 20 0 GCADHM CCC[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821035033 606457234 /nfs/dbraw/zinc/45/72/34/606457234.db2.gz ZJBNKDQRWXMFSX-KGLIPLIRSA-N -1 3 395.427 0.750 20 0 GCADHM NC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)o1 ZINC000822884895 606457334 /nfs/dbraw/zinc/45/73/34/606457334.db2.gz DCTQCBFMGSJQIP-UHFFFAOYSA-N -1 3 389.759 0.467 20 0 GCADHM NC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)o1 ZINC000822884895 606457335 /nfs/dbraw/zinc/45/73/35/606457335.db2.gz DCTQCBFMGSJQIP-UHFFFAOYSA-N -1 3 389.759 0.467 20 0 GCADHM COC(=O)C1(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCCC1 ZINC000821653766 606457353 /nfs/dbraw/zinc/45/73/53/606457353.db2.gz KHYPAGZNKWEORG-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM COC(=O)C1(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCCC1 ZINC000821653766 606457355 /nfs/dbraw/zinc/45/73/55/606457355.db2.gz KHYPAGZNKWEORG-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)C(=O)N(C)C ZINC000820151503 606457941 /nfs/dbraw/zinc/45/79/41/606457941.db2.gz JMYOUOYNXAMJBL-SNVBAGLBSA-N -1 3 389.416 0.185 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)C(=O)N(C)C ZINC000820151503 606457942 /nfs/dbraw/zinc/45/79/42/606457942.db2.gz JMYOUOYNXAMJBL-SNVBAGLBSA-N -1 3 389.416 0.185 20 0 GCADHM CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821313361 606458442 /nfs/dbraw/zinc/45/84/42/606458442.db2.gz DKLUCVIFPTUCLV-MRVPVSSYSA-N -1 3 380.792 0.774 20 0 GCADHM CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821313361 606458443 /nfs/dbraw/zinc/45/84/43/606458443.db2.gz DKLUCVIFPTUCLV-MRVPVSSYSA-N -1 3 380.792 0.774 20 0 GCADHM CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821315242 606458563 /nfs/dbraw/zinc/45/85/63/606458563.db2.gz QYCZRYPNFPZVOA-SECBINFHSA-N -1 3 376.373 0.129 20 0 GCADHM CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821315242 606458564 /nfs/dbraw/zinc/45/85/64/606458564.db2.gz QYCZRYPNFPZVOA-SECBINFHSA-N -1 3 376.373 0.129 20 0 GCADHM CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821314970 606459576 /nfs/dbraw/zinc/45/95/76/606459576.db2.gz OGFVAIRFHXWENK-MRVPVSSYSA-N -1 3 380.792 0.774 20 0 GCADHM CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821314970 606459578 /nfs/dbraw/zinc/45/95/78/606459578.db2.gz OGFVAIRFHXWENK-MRVPVSSYSA-N -1 3 380.792 0.774 20 0 GCADHM C[S@@](=O)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821942373 606460503 /nfs/dbraw/zinc/46/05/03/606460503.db2.gz MZBFZHWKLCNCOW-HHHXNRCGSA-N -1 3 384.421 0.859 20 0 GCADHM C[S@@](=O)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821942373 606460504 /nfs/dbraw/zinc/46/05/04/606460504.db2.gz MZBFZHWKLCNCOW-HHHXNRCGSA-N -1 3 384.421 0.859 20 0 GCADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000822535348 606465494 /nfs/dbraw/zinc/46/54/94/606465494.db2.gz OBBOMJCZCUIOAE-UHFFFAOYSA-N -1 3 384.360 0.199 20 0 GCADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000822535348 606465496 /nfs/dbraw/zinc/46/54/96/606465496.db2.gz OBBOMJCZCUIOAE-UHFFFAOYSA-N -1 3 384.360 0.199 20 0 GCADHM O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823572769 606472901 /nfs/dbraw/zinc/47/29/01/606472901.db2.gz LZUBLAMCZCONOQ-NSHDSACASA-N -1 3 380.821 0.925 20 0 GCADHM O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823572769 606472904 /nfs/dbraw/zinc/47/29/04/606472904.db2.gz LZUBLAMCZCONOQ-NSHDSACASA-N -1 3 380.821 0.925 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C)CC1 ZINC000819796103 606481493 /nfs/dbraw/zinc/48/14/93/606481493.db2.gz CFDJZTXMOMVZCG-SUMWQHHRSA-N -1 3 398.471 0.883 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C[C@H]2C)CC1 ZINC000819796101 606481543 /nfs/dbraw/zinc/48/15/43/606481543.db2.gz CFDJZTXMOMVZCG-DYVFJYSZSA-N -1 3 398.471 0.883 20 0 GCADHM COC[C@](C)(CC(=O)OC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000821680486 606483254 /nfs/dbraw/zinc/48/32/54/606483254.db2.gz KSWQEUIUQNKGLH-HNNXBMFYSA-N -1 3 383.430 0.422 20 0 GCADHM COC[C@](C)(CC(=O)OC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821680486 606483256 /nfs/dbraw/zinc/48/32/56/606483256.db2.gz KSWQEUIUQNKGLH-HNNXBMFYSA-N -1 3 383.430 0.422 20 0 GCADHM Cn1c(=O)c2cc(NC(=O)c3cc(-c4nnn[n-]4)cs3)cnc2n(C)c1=O ZINC000822596629 606486002 /nfs/dbraw/zinc/48/60/02/606486002.db2.gz NZYUHVSWJJOTHH-UHFFFAOYSA-N -1 3 384.381 0.126 20 0 GCADHM Cn1c(=O)c2cc(NC(=O)c3cc(-c4nn[n-]n4)cs3)cnc2n(C)c1=O ZINC000822596629 606486003 /nfs/dbraw/zinc/48/60/03/606486003.db2.gz NZYUHVSWJJOTHH-UHFFFAOYSA-N -1 3 384.381 0.126 20 0 GCADHM NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822894979 606487366 /nfs/dbraw/zinc/48/73/66/606487366.db2.gz JIKXTSMMRFKBTO-UHFFFAOYSA-N -1 3 386.437 0.416 20 0 GCADHM NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822894979 606487367 /nfs/dbraw/zinc/48/73/67/606487367.db2.gz JIKXTSMMRFKBTO-UHFFFAOYSA-N -1 3 386.437 0.416 20 0 GCADHM COC(=O)CN(CC(=O)OC)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821662779 606488971 /nfs/dbraw/zinc/48/89/71/606488971.db2.gz SKSRYQAJPCLGHP-UHFFFAOYSA-N -1 3 385.327 0.616 20 0 GCADHM COC(=O)CN(CC(=O)OC)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821662779 606488972 /nfs/dbraw/zinc/48/89/72/606488972.db2.gz SKSRYQAJPCLGHP-UHFFFAOYSA-N -1 3 385.327 0.616 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C1 ZINC000821933187 606494895 /nfs/dbraw/zinc/49/48/95/606494895.db2.gz WNUREHQETWDYGF-NSHDSACASA-N -1 3 388.400 0.592 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1 ZINC000821933187 606494897 /nfs/dbraw/zinc/49/48/97/606494897.db2.gz WNUREHQETWDYGF-NSHDSACASA-N -1 3 388.400 0.592 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000822917015 606506732 /nfs/dbraw/zinc/50/67/32/606506732.db2.gz LEACCMQIZIMQKG-LBPRGKRZSA-N -1 3 376.442 0.782 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000822917015 606506733 /nfs/dbraw/zinc/50/67/33/606506733.db2.gz LEACCMQIZIMQKG-LBPRGKRZSA-N -1 3 376.442 0.782 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000823535945 606509218 /nfs/dbraw/zinc/50/92/18/606509218.db2.gz MZKQTCALHCIWBY-UHFFFAOYSA-N -1 3 377.408 0.984 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000823535945 606509219 /nfs/dbraw/zinc/50/92/19/606509219.db2.gz MZKQTCALHCIWBY-UHFFFAOYSA-N -1 3 377.408 0.984 20 0 GCADHM COC(=O)C[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000821660682 606520838 /nfs/dbraw/zinc/52/08/38/606520838.db2.gz ZQFFLFQGZFCBGI-HUUCEWRRSA-N -1 3 386.412 0.236 20 0 GCADHM COC(=O)C[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000821660682 606520840 /nfs/dbraw/zinc/52/08/40/606520840.db2.gz ZQFFLFQGZFCBGI-HUUCEWRRSA-N -1 3 386.412 0.236 20 0 GCADHM COC(=O)C[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000821660585 606521107 /nfs/dbraw/zinc/52/11/07/606521107.db2.gz WXLLBQCYQLHSLI-LLVKDONJSA-N -1 3 378.389 0.279 20 0 GCADHM COC(=O)C[C@H]1CN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CCO1 ZINC000821660276 606521159 /nfs/dbraw/zinc/52/11/59/606521159.db2.gz LMTNHVCCRXVUBM-JQWIXIFHSA-N -1 3 392.441 0.297 20 0 GCADHM COC(=O)C[C@H]1CN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CCO1 ZINC000821660276 606521161 /nfs/dbraw/zinc/52/11/61/606521161.db2.gz LMTNHVCCRXVUBM-JQWIXIFHSA-N -1 3 392.441 0.297 20 0 GCADHM COC(=O)C[C@H]1CN([C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000821660620 606521203 /nfs/dbraw/zinc/52/12/03/606521203.db2.gz XSRCQOOEUCLGCI-ZFWWWQNUSA-N -1 3 375.385 0.345 20 0 GCADHM COC(=O)C[C@H]1CN([C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000821660620 606521205 /nfs/dbraw/zinc/52/12/05/606521205.db2.gz XSRCQOOEUCLGCI-ZFWWWQNUSA-N -1 3 375.385 0.345 20 0 GCADHM CCS(=O)(=O)N1CCC(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821440962 606521305 /nfs/dbraw/zinc/52/13/05/606521305.db2.gz FJUXCZVMPGJBJT-UHFFFAOYSA-N -1 3 378.458 0.340 20 0 GCADHM CCS(=O)(=O)N1CCC(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821440962 606521307 /nfs/dbraw/zinc/52/13/07/606521307.db2.gz FJUXCZVMPGJBJT-UHFFFAOYSA-N -1 3 378.458 0.340 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)cs3)C2=O)n(C)n1 ZINC000822207312 606522001 /nfs/dbraw/zinc/52/20/01/606522001.db2.gz RFOZRDLKMUIPPB-NSHDSACASA-N -1 3 386.441 0.896 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)cs3)C2=O)n(C)n1 ZINC000822207312 606522002 /nfs/dbraw/zinc/52/20/02/606522002.db2.gz RFOZRDLKMUIPPB-NSHDSACASA-N -1 3 386.441 0.896 20 0 GCADHM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821937660 606527636 /nfs/dbraw/zinc/52/76/36/606527636.db2.gz PERHDKXJVVGEGI-HNNXBMFYSA-N -1 3 392.485 0.730 20 0 GCADHM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821937660 606527638 /nfs/dbraw/zinc/52/76/38/606527638.db2.gz PERHDKXJVVGEGI-HNNXBMFYSA-N -1 3 392.485 0.730 20 0 GCADHM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821937665 606527844 /nfs/dbraw/zinc/52/78/44/606527844.db2.gz PERHDKXJVVGEGI-OAHLLOKOSA-N -1 3 392.485 0.730 20 0 GCADHM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821937665 606527846 /nfs/dbraw/zinc/52/78/46/606527846.db2.gz PERHDKXJVVGEGI-OAHLLOKOSA-N -1 3 392.485 0.730 20 0 GCADHM O=C(N[C@H]1CCCn2ncnc21)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823149828 606531582 /nfs/dbraw/zinc/53/15/82/606531582.db2.gz HNZRLOWLBKYMEB-ZDUSSCGKSA-N -1 3 395.431 0.220 20 0 GCADHM O=C(N[C@H]1CCCn2ncnc21)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823149828 606531585 /nfs/dbraw/zinc/53/15/85/606531585.db2.gz HNZRLOWLBKYMEB-ZDUSSCGKSA-N -1 3 395.431 0.220 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCN1C(=O)c2ccccc2C1=O ZINC000823098540 606532293 /nfs/dbraw/zinc/53/22/93/606532293.db2.gz PPQAKPJQPNWLOU-UHFFFAOYSA-N -1 3 376.376 0.822 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCN1C(=O)c2ccccc2C1=O ZINC000823098540 606532295 /nfs/dbraw/zinc/53/22/95/606532295.db2.gz PPQAKPJQPNWLOU-UHFFFAOYSA-N -1 3 376.376 0.822 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821798545 606536179 /nfs/dbraw/zinc/53/61/79/606536179.db2.gz DWBZWJPKGACGEV-UHFFFAOYSA-N -1 3 380.408 0.850 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821798545 606536181 /nfs/dbraw/zinc/53/61/81/606536181.db2.gz DWBZWJPKGACGEV-UHFFFAOYSA-N -1 3 380.408 0.850 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCCNC(=O)C1CCC1 ZINC000821700125 606537241 /nfs/dbraw/zinc/53/72/41/606537241.db2.gz DPGFYMAWKUWATD-UHFFFAOYSA-N -1 3 388.428 0.677 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCCNC(=O)C1CCC1 ZINC000821700125 606537243 /nfs/dbraw/zinc/53/72/43/606537243.db2.gz DPGFYMAWKUWATD-UHFFFAOYSA-N -1 3 388.428 0.677 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)s3)C[C@H]2C)CC1 ZINC000819796765 606550728 /nfs/dbraw/zinc/55/07/28/606550728.db2.gz OJSQVBJWDFUTNB-YPMHNXCESA-N -1 3 389.485 0.553 20 0 GCADHM COC(=O)C[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000821658833 606550946 /nfs/dbraw/zinc/55/09/46/606550946.db2.gz KBMCVCIPGGEORW-NWDGAFQWSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)C[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000821658833 606550947 /nfs/dbraw/zinc/55/09/47/606550947.db2.gz KBMCVCIPGGEORW-NWDGAFQWSA-N -1 3 375.385 0.425 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820752384 606553175 /nfs/dbraw/zinc/55/31/75/606553175.db2.gz MOVICNJMOVBCFJ-OLZOCXBDSA-N -1 3 391.501 0.405 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820752384 606553176 /nfs/dbraw/zinc/55/31/76/606553176.db2.gz MOVICNJMOVBCFJ-OLZOCXBDSA-N -1 3 391.501 0.405 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000822955215 606553643 /nfs/dbraw/zinc/55/36/43/606553643.db2.gz MNRMVSJXGVZTJD-AWEZNQCLSA-N -1 3 385.428 0.652 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCN2C(=O)NC[C@H]2C1 ZINC000822955215 606553645 /nfs/dbraw/zinc/55/36/45/606553645.db2.gz MNRMVSJXGVZTJD-AWEZNQCLSA-N -1 3 385.428 0.652 20 0 GCADHM CC[C@H](C)[C@H](NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)OC ZINC000820860301 606564137 /nfs/dbraw/zinc/56/41/37/606564137.db2.gz JELBPBATUGVLAD-UFBFGSQYSA-N -1 3 381.414 0.789 20 0 GCADHM CC[C@H](C)[C@H](NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)OC ZINC000820860301 606564138 /nfs/dbraw/zinc/56/41/38/606564138.db2.gz JELBPBATUGVLAD-UFBFGSQYSA-N -1 3 381.414 0.789 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC000821319091 606564208 /nfs/dbraw/zinc/56/42/08/606564208.db2.gz AKCAINKQTPDAPS-JTQLQIEISA-N -1 3 393.425 0.887 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC000821319091 606564210 /nfs/dbraw/zinc/56/42/10/606564210.db2.gz AKCAINKQTPDAPS-JTQLQIEISA-N -1 3 393.425 0.887 20 0 GCADHM COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821641018 606564280 /nfs/dbraw/zinc/56/42/80/606564280.db2.gz UHTLJBHAGFOISJ-JTQLQIEISA-N -1 3 381.414 0.789 20 0 GCADHM COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821641018 606564282 /nfs/dbraw/zinc/56/42/82/606564282.db2.gz UHTLJBHAGFOISJ-JTQLQIEISA-N -1 3 381.414 0.789 20 0 GCADHM C[C@H](NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)N1CCCCC1 ZINC000820327633 606566664 /nfs/dbraw/zinc/56/66/64/606566664.db2.gz HXZATBVJHKYXPP-JTQLQIEISA-N -1 3 392.441 0.602 20 0 GCADHM C[C@H](NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)N1CCCCC1 ZINC000820327633 606566666 /nfs/dbraw/zinc/56/66/66/606566666.db2.gz HXZATBVJHKYXPP-JTQLQIEISA-N -1 3 392.441 0.602 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000822885450 606566750 /nfs/dbraw/zinc/56/67/50/606566750.db2.gz PURHXZIDRLIQOT-UHFFFAOYSA-N -1 3 391.435 0.857 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000822885450 606566751 /nfs/dbraw/zinc/56/67/51/606566751.db2.gz PURHXZIDRLIQOT-UHFFFAOYSA-N -1 3 391.435 0.857 20 0 GCADHM CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC000820921008 606573286 /nfs/dbraw/zinc/57/32/86/606573286.db2.gz UVCZZORWKDGNPG-DOMZBBRYSA-N -1 3 387.444 0.864 20 0 GCADHM CC[C@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC000820921008 606573288 /nfs/dbraw/zinc/57/32/88/606573288.db2.gz UVCZZORWKDGNPG-DOMZBBRYSA-N -1 3 387.444 0.864 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)Cc3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000822689887 606574849 /nfs/dbraw/zinc/57/48/49/606574849.db2.gz QOWWFRIZQWAFBG-CQSZACIVSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)Cc3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000822689887 606574851 /nfs/dbraw/zinc/57/48/51/606574851.db2.gz QOWWFRIZQWAFBG-CQSZACIVSA-N -1 3 380.412 0.455 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)Cc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822205970 606576799 /nfs/dbraw/zinc/57/67/99/606576799.db2.gz PGLBLIBGMYGBGT-AWEZNQCLSA-N -1 3 380.412 0.373 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)Cc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822205970 606576800 /nfs/dbraw/zinc/57/68/00/606576800.db2.gz PGLBLIBGMYGBGT-AWEZNQCLSA-N -1 3 380.412 0.373 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)Cc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822207150 606577931 /nfs/dbraw/zinc/57/79/31/606577931.db2.gz MOUFFSUDSPXXIB-HNNXBMFYSA-N -1 3 394.439 0.763 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)Cc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822207150 606577933 /nfs/dbraw/zinc/57/79/33/606577933.db2.gz MOUFFSUDSPXXIB-HNNXBMFYSA-N -1 3 394.439 0.763 20 0 GCADHM COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821653615 606578170 /nfs/dbraw/zinc/57/81/70/606578170.db2.gz GAHFQPVDMDRJEG-KSSFIOAISA-N -1 3 388.403 0.949 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821620710 606579293 /nfs/dbraw/zinc/57/92/93/606579293.db2.gz SRTVQVYXAKTKRD-SGTLLEGYSA-N -1 3 398.427 0.115 20 0 GCADHM CN(C)C(=O)COC1CN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821578199 606581273 /nfs/dbraw/zinc/58/12/73/606581273.db2.gz SEJOXTWSBPHBME-MRXNPFEDSA-N -1 3 399.455 0.151 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000822899922 606581749 /nfs/dbraw/zinc/58/17/49/606581749.db2.gz YOXFOYLPXAKOII-NSHDSACASA-N -1 3 393.411 0.128 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000822899922 606581750 /nfs/dbraw/zinc/58/17/50/606581750.db2.gz YOXFOYLPXAKOII-NSHDSACASA-N -1 3 393.411 0.128 20 0 GCADHM COc1cc(OC)cc(N2C[C@H](C(=O)n3ncc(-c4nnn[n-]4)c3N)CC2=O)c1 ZINC000821724060 606583774 /nfs/dbraw/zinc/58/37/74/606583774.db2.gz OTJOBVXDQFUGCM-SECBINFHSA-N -1 3 398.383 0.356 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821636198 606590491 /nfs/dbraw/zinc/59/04/91/606590491.db2.gz JBVCCTLNIKVFAG-LBPRGKRZSA-N -1 3 396.498 0.499 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821636198 606590493 /nfs/dbraw/zinc/59/04/93/606590493.db2.gz JBVCCTLNIKVFAG-LBPRGKRZSA-N -1 3 396.498 0.499 20 0 GCADHM COC(=O)CC1(NC(=O)COc2ccccc2-c2nnn[n-]2)CCOCC1 ZINC000821659099 606590591 /nfs/dbraw/zinc/59/05/91/606590591.db2.gz RDCSKEVXGZEWPD-UHFFFAOYSA-N -1 3 375.385 0.474 20 0 GCADHM COC(=O)CC1(NC(=O)COc2ccccc2-c2nn[n-]n2)CCOCC1 ZINC000821659099 606590593 /nfs/dbraw/zinc/59/05/93/606590593.db2.gz RDCSKEVXGZEWPD-UHFFFAOYSA-N -1 3 375.385 0.474 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)nc1 ZINC000822879865 606593185 /nfs/dbraw/zinc/59/31/85/606593185.db2.gz IFGDOAYMWZOVPN-UHFFFAOYSA-N -1 3 392.423 0.759 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)nc1 ZINC000822879865 606593187 /nfs/dbraw/zinc/59/31/87/606593187.db2.gz IFGDOAYMWZOVPN-UHFFFAOYSA-N -1 3 392.423 0.759 20 0 GCADHM COC[C@]1(C)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C1=O ZINC000821683656 606594696 /nfs/dbraw/zinc/59/46/96/606594696.db2.gz HCEWSEZAZBVMCP-HNNXBMFYSA-N -1 3 382.327 0.925 20 0 GCADHM COC[C@]1(C)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1=O ZINC000821683656 606594697 /nfs/dbraw/zinc/59/46/97/606594697.db2.gz HCEWSEZAZBVMCP-HNNXBMFYSA-N -1 3 382.327 0.925 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821636347 606602071 /nfs/dbraw/zinc/60/20/71/606602071.db2.gz OGCKBOWHJQHCRH-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821636347 606602073 /nfs/dbraw/zinc/60/20/73/606602073.db2.gz OGCKBOWHJQHCRH-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822549389 606602809 /nfs/dbraw/zinc/60/28/09/606602809.db2.gz YOVBNUILRYSBCU-UHFFFAOYSA-N -1 3 390.425 0.948 20 0 GCADHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822549389 606602810 /nfs/dbraw/zinc/60/28/10/606602810.db2.gz YOVBNUILRYSBCU-UHFFFAOYSA-N -1 3 390.425 0.948 20 0 GCADHM CC1(O)CCC(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000820622983 606602995 /nfs/dbraw/zinc/60/29/95/606602995.db2.gz ASLMAOZFQXMESH-UHFFFAOYSA-N -1 3 386.460 0.787 20 0 GCADHM CC1(O)CCC(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000820622983 606602996 /nfs/dbraw/zinc/60/29/96/606602996.db2.gz ASLMAOZFQXMESH-UHFFFAOYSA-N -1 3 386.460 0.787 20 0 GCADHM C[C@H]1C[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820667314 606604742 /nfs/dbraw/zinc/60/47/42/606604742.db2.gz LVDLDAMJFBPWQL-GWCFXTLKSA-N -1 3 381.400 0.217 20 0 GCADHM C[C@H]1C[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820667314 606604743 /nfs/dbraw/zinc/60/47/43/606604743.db2.gz LVDLDAMJFBPWQL-GWCFXTLKSA-N -1 3 381.400 0.217 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CC1 ZINC000820262478 606604896 /nfs/dbraw/zinc/60/48/96/606604896.db2.gz WUPAEONZRNUWTD-LLVKDONJSA-N -1 3 395.427 0.607 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CC1 ZINC000820262478 606604898 /nfs/dbraw/zinc/60/48/98/606604898.db2.gz WUPAEONZRNUWTD-LLVKDONJSA-N -1 3 395.427 0.607 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H](CO)C1 ZINC000820152438 606604962 /nfs/dbraw/zinc/60/49/62/606604962.db2.gz XZMDLEJSWSPRBI-LBPRGKRZSA-N -1 3 388.428 0.823 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](CO)C1 ZINC000820152438 606604964 /nfs/dbraw/zinc/60/49/64/606604964.db2.gz XZMDLEJSWSPRBI-LBPRGKRZSA-N -1 3 388.428 0.823 20 0 GCADHM C[C@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820703750 606604997 /nfs/dbraw/zinc/60/49/97/606604997.db2.gz JYYCYVIECCSXRO-LBPRGKRZSA-N -1 3 395.427 0.846 20 0 GCADHM C[C@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820703750 606604999 /nfs/dbraw/zinc/60/49/99/606604999.db2.gz JYYCYVIECCSXRO-LBPRGKRZSA-N -1 3 395.427 0.846 20 0 GCADHM CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820863585 606605200 /nfs/dbraw/zinc/60/52/00/606605200.db2.gz UMKJPVAKPAKOKC-RYUDHWBXSA-N -1 3 397.443 0.996 20 0 GCADHM CC[C@H](C)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820863585 606605202 /nfs/dbraw/zinc/60/52/02/606605202.db2.gz UMKJPVAKPAKOKC-RYUDHWBXSA-N -1 3 397.443 0.996 20 0 GCADHM O=C(NCCCC1CC1)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823187225 606605293 /nfs/dbraw/zinc/60/52/93/606605293.db2.gz HAEFJHNUPDHJAA-UHFFFAOYSA-N -1 3 395.427 0.751 20 0 GCADHM O=C(NCCCC1CC1)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823187225 606605294 /nfs/dbraw/zinc/60/52/94/606605294.db2.gz HAEFJHNUPDHJAA-UHFFFAOYSA-N -1 3 395.427 0.751 20 0 GCADHM O=C(NCCC1CC1)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823183179 606605445 /nfs/dbraw/zinc/60/54/45/606605445.db2.gz SOFSNOFWEUJFKD-UHFFFAOYSA-N -1 3 381.400 0.361 20 0 GCADHM O=C(NCCC1CC1)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823183179 606605447 /nfs/dbraw/zinc/60/54/47/606605447.db2.gz SOFSNOFWEUJFKD-UHFFFAOYSA-N -1 3 381.400 0.361 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000821655329 606605604 /nfs/dbraw/zinc/60/56/04/606605604.db2.gz JLLVJCRELVWSAA-SECBINFHSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000821655329 606605606 /nfs/dbraw/zinc/60/56/06/606605606.db2.gz JLLVJCRELVWSAA-SECBINFHSA-N -1 3 392.803 0.870 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)N1CCCCCC1 ZINC000823383081 606606041 /nfs/dbraw/zinc/60/60/41/606606041.db2.gz KUCALYQWTHRJDV-UHFFFAOYSA-N -1 3 395.427 0.848 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)N1CCCCCC1 ZINC000823383081 606606043 /nfs/dbraw/zinc/60/60/43/606606043.db2.gz KUCALYQWTHRJDV-UHFFFAOYSA-N -1 3 395.427 0.848 20 0 GCADHM O=C(CCOC1CCOCC1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000822968859 606606490 /nfs/dbraw/zinc/60/64/90/606606490.db2.gz CKYSWEUIBFMNBK-UHFFFAOYSA-N -1 3 387.444 0.496 20 0 GCADHM O=C(CCOC1CCOCC1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822968859 606606491 /nfs/dbraw/zinc/60/64/91/606606491.db2.gz CKYSWEUIBFMNBK-UHFFFAOYSA-N -1 3 387.444 0.496 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000822216532 606606503 /nfs/dbraw/zinc/60/65/03/606606503.db2.gz RIFVLCBTNBFUAK-HOTGVXAUSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000822216532 606606505 /nfs/dbraw/zinc/60/65/05/606606505.db2.gz RIFVLCBTNBFUAK-HOTGVXAUSA-N -1 3 378.392 0.888 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000821756445 606606778 /nfs/dbraw/zinc/60/67/78/606606778.db2.gz OYKYUDBCOAQZON-LBPRGKRZSA-N -1 3 396.411 0.943 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000821755273 606607001 /nfs/dbraw/zinc/60/70/01/606607001.db2.gz DBVYYKNCIZAJIL-GFCCVEGCSA-N -1 3 396.411 0.943 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000823331132 606607394 /nfs/dbraw/zinc/60/73/94/606607394.db2.gz AYQTXKSZQWFTAT-ZDUSSCGKSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000823331132 606607396 /nfs/dbraw/zinc/60/73/96/606607396.db2.gz AYQTXKSZQWFTAT-ZDUSSCGKSA-N -1 3 384.371 0.664 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000821757527 606608643 /nfs/dbraw/zinc/60/86/43/606608643.db2.gz YLFISXIQBDDTFZ-ZBFHGGJFSA-N -1 3 394.391 0.588 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000821757527 606608645 /nfs/dbraw/zinc/60/86/45/606608645.db2.gz YLFISXIQBDDTFZ-ZBFHGGJFSA-N -1 3 394.391 0.588 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000821509489 606609587 /nfs/dbraw/zinc/60/95/87/606609587.db2.gz IKRPCPAUKCTENV-SNVBAGLBSA-N -1 3 399.390 0.229 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000821509489 606609589 /nfs/dbraw/zinc/60/95/89/606609589.db2.gz IKRPCPAUKCTENV-SNVBAGLBSA-N -1 3 399.390 0.229 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821509590 606610037 /nfs/dbraw/zinc/61/00/37/606610037.db2.gz JURSQFDJVZFFNN-GFCCVEGCSA-N -1 3 381.400 0.090 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821509590 606610038 /nfs/dbraw/zinc/61/00/38/606610038.db2.gz JURSQFDJVZFFNN-GFCCVEGCSA-N -1 3 381.400 0.090 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1-c1nnn[n-]1 ZINC000822314557 606610311 /nfs/dbraw/zinc/61/03/11/606610311.db2.gz VERFVSJPTBZQIN-ZDUSSCGKSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)c1-c1nn[n-]n1 ZINC000822314557 606610313 /nfs/dbraw/zinc/61/03/13/606610313.db2.gz VERFVSJPTBZQIN-ZDUSSCGKSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000822314981 606610537 /nfs/dbraw/zinc/61/05/37/606610537.db2.gz XLQWLLRUCXHPHZ-QWHCGFSZSA-N -1 3 387.444 0.027 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000822314981 606610538 /nfs/dbraw/zinc/61/05/38/606610538.db2.gz XLQWLLRUCXHPHZ-QWHCGFSZSA-N -1 3 387.444 0.027 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H](C)CO ZINC000820280325 606611160 /nfs/dbraw/zinc/61/11/60/606611160.db2.gz DMPUMJCGHATMNA-HTQZYQBOSA-N -1 3 386.334 0.957 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H](C)CO ZINC000820280325 606611161 /nfs/dbraw/zinc/61/11/61/606611161.db2.gz DMPUMJCGHATMNA-HTQZYQBOSA-N -1 3 386.334 0.957 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000823331904 606611227 /nfs/dbraw/zinc/61/12/27/606611227.db2.gz IOBMWJCCQWRMDU-VIFPVBQESA-N -1 3 387.791 0.181 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000823331904 606611228 /nfs/dbraw/zinc/61/12/28/606611228.db2.gz IOBMWJCCQWRMDU-VIFPVBQESA-N -1 3 387.791 0.181 20 0 GCADHM CC[C@@H](CCO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C 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/nfs/dbraw/zinc/62/62/72/606626272.db2.gz KGZSKEOYWWVIIH-HNNXBMFYSA-N -1 3 385.409 0.213 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000749983022 606626273 /nfs/dbraw/zinc/62/62/73/606626273.db2.gz KGZSKEOYWWVIIH-HNNXBMFYSA-N -1 3 385.409 0.213 20 0 GCADHM Cc1nn(-c2ccccc2)c(Cn2nnc3c(cnn3C)c2=O)c1-c1nnn[n-]1 ZINC000822486490 606627014 /nfs/dbraw/zinc/62/70/14/606627014.db2.gz LPLPQSDPUYDLPU-UHFFFAOYSA-N -1 3 389.383 0.248 20 0 GCADHM Cn1cc(N2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)CC2=O)cn1 ZINC000822685360 606627229 /nfs/dbraw/zinc/62/72/29/606627229.db2.gz XYDVUNKCLFHZJZ-UHFFFAOYSA-N -1 3 383.441 0.646 20 0 GCADHM Cn1cc(N2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)CC2=O)cn1 ZINC000822685360 606627232 /nfs/dbraw/zinc/62/72/32/606627232.db2.gz XYDVUNKCLFHZJZ-UHFFFAOYSA-N -1 3 383.441 0.646 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823002399 606632078 /nfs/dbraw/zinc/63/20/78/606632078.db2.gz XQHGKAAVHPQUQC-GJZGRUSLSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823002399 606632079 /nfs/dbraw/zinc/63/20/79/606632079.db2.gz XQHGKAAVHPQUQC-GJZGRUSLSA-N -1 3 390.469 0.847 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCO[C@@H](c3ccco3)C2)c(-c2nnn[n-]2)c1 ZINC000822895134 606633542 /nfs/dbraw/zinc/63/35/42/606633542.db2.gz LAQLILAPZIAJFY-CQSZACIVSA-N -1 3 376.398 0.685 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCO[C@@H](c3ccco3)C2)c(-c2nn[n-]n2)c1 ZINC000822895134 606633543 /nfs/dbraw/zinc/63/35/43/606633543.db2.gz LAQLILAPZIAJFY-CQSZACIVSA-N -1 3 376.398 0.685 20 0 GCADHM CCN(C(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821155444 606638610 /nfs/dbraw/zinc/63/86/10/606638610.db2.gz ZGJNBFUOWWJDHT-LLVKDONJSA-N -1 3 382.421 0.453 20 0 GCADHM CCN(C(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821155444 606638611 /nfs/dbraw/zinc/63/86/11/606638611.db2.gz ZGJNBFUOWWJDHT-LLVKDONJSA-N -1 3 382.421 0.453 20 0 GCADHM COCCCNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821687583 606638661 /nfs/dbraw/zinc/63/86/61/606638661.db2.gz GGXAOPBNXDWJIJ-UHFFFAOYSA-N -1 3 376.236 0.944 20 0 GCADHM COCCCNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821687583 606638662 /nfs/dbraw/zinc/63/86/62/606638662.db2.gz GGXAOPBNXDWJIJ-UHFFFAOYSA-N -1 3 376.236 0.944 20 0 GCADHM CCN(C(=O)CNc1cc(-c2nnn[n-]2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000821154257 606638750 /nfs/dbraw/zinc/63/87/50/606638750.db2.gz KYVKVDKBHYVCLH-GFCCVEGCSA-N -1 3 394.457 0.323 20 0 GCADHM CCN(C(=O)CNc1cc(-c2nn[n-]n2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000821154257 606638751 /nfs/dbraw/zinc/63/87/51/606638751.db2.gz KYVKVDKBHYVCLH-GFCCVEGCSA-N -1 3 394.457 0.323 20 0 GCADHM CCN(C(=O)CNc1cc(-c2nnn[n-]2)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000821154260 606638798 /nfs/dbraw/zinc/63/87/98/606638798.db2.gz KYVKVDKBHYVCLH-LBPRGKRZSA-N -1 3 394.457 0.323 20 0 GCADHM CCN(C(=O)CNc1cc(-c2nn[n-]n2)ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000821154260 606638799 /nfs/dbraw/zinc/63/87/99/606638799.db2.gz KYVKVDKBHYVCLH-LBPRGKRZSA-N -1 3 394.457 0.323 20 0 GCADHM C[S@](=O)CCNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821941711 606639487 /nfs/dbraw/zinc/63/94/87/606639487.db2.gz IGQXDGDKMALBLY-FQEVSTJZSA-N -1 3 394.276 0.286 20 0 GCADHM C[S@](=O)CCNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821941711 606639488 /nfs/dbraw/zinc/63/94/88/606639488.db2.gz IGQXDGDKMALBLY-FQEVSTJZSA-N -1 3 394.276 0.286 20 0 GCADHM COCCCOC1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821687691 606639709 /nfs/dbraw/zinc/63/97/09/606639709.db2.gz KEANIVIVXGJKAZ-UHFFFAOYSA-N -1 3 387.849 0.946 20 0 GCADHM COCCCOC1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821687691 606639710 /nfs/dbraw/zinc/63/97/10/606639710.db2.gz KEANIVIVXGJKAZ-UHFFFAOYSA-N -1 3 387.849 0.946 20 0 GCADHM COCCCOC1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821687966 606640328 /nfs/dbraw/zinc/64/03/28/606640328.db2.gz XNEYPEPJNJRBOD-UHFFFAOYSA-N -1 3 394.819 0.723 20 0 GCADHM COCCCOC1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821687966 606640329 /nfs/dbraw/zinc/64/03/29/606640329.db2.gz XNEYPEPJNJRBOD-UHFFFAOYSA-N -1 3 394.819 0.723 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000822439493 606641427 /nfs/dbraw/zinc/64/14/27/606641427.db2.gz BROFWUXVLPKMKJ-HNNXBMFYSA-N -1 3 397.443 0.703 20 0 GCADHM CNC(=O)Cc1nc(COC(=O)COc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821633919 606655552 /nfs/dbraw/zinc/65/55/52/606655552.db2.gz KIZVKVHIMSPGJV-UHFFFAOYSA-N -1 3 388.409 0.734 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000821612223 606658817 /nfs/dbraw/zinc/65/88/17/606658817.db2.gz NGPHKJBXGKLNCG-UHFFFAOYSA-N -1 3 390.354 0.925 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000821612223 606658818 /nfs/dbraw/zinc/65/88/18/606658818.db2.gz NGPHKJBXGKLNCG-UHFFFAOYSA-N -1 3 390.354 0.925 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821688624 606659087 /nfs/dbraw/zinc/65/90/87/606659087.db2.gz SHRPHAVRWKDKKN-UHFFFAOYSA-N -1 3 384.400 0.355 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821688624 606659088 /nfs/dbraw/zinc/65/90/88/606659088.db2.gz SHRPHAVRWKDKKN-UHFFFAOYSA-N -1 3 384.400 0.355 20 0 GCADHM COCCNC(=O)C1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821691101 606665282 /nfs/dbraw/zinc/66/52/82/606665282.db2.gz IPIKHPUWDJADGO-UHFFFAOYSA-N -1 3 394.382 0.760 20 0 GCADHM COCCNC(=O)C1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821691101 606665283 /nfs/dbraw/zinc/66/52/83/606665283.db2.gz IPIKHPUWDJADGO-UHFFFAOYSA-N -1 3 394.382 0.760 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C(N)=O)cn1C ZINC000821689582 606668028 /nfs/dbraw/zinc/66/80/28/606668028.db2.gz DAWSBUKDPWUFME-UHFFFAOYSA-N -1 3 383.412 0.593 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C(N)=O)cn1C ZINC000821689582 606668029 /nfs/dbraw/zinc/66/80/29/606668029.db2.gz DAWSBUKDPWUFME-UHFFFAOYSA-N -1 3 383.412 0.593 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821442842 606676022 /nfs/dbraw/zinc/67/60/22/606676022.db2.gz WIUBDYBYCQDQAP-UHFFFAOYSA-N -1 3 386.384 0.252 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821442842 606676023 /nfs/dbraw/zinc/67/60/23/606676023.db2.gz WIUBDYBYCQDQAP-UHFFFAOYSA-N -1 3 386.384 0.252 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822894533 606682195 /nfs/dbraw/zinc/68/21/95/606682195.db2.gz AAKNZKJLMMPIKG-MRVPVSSYSA-N -1 3 386.384 0.286 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822894533 606682196 /nfs/dbraw/zinc/68/21/96/606682196.db2.gz AAKNZKJLMMPIKG-MRVPVSSYSA-N -1 3 386.384 0.286 20 0 GCADHM C[C@@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@H]1N1CCOCC1 ZINC000820741680 606687105 /nfs/dbraw/zinc/68/71/05/606687105.db2.gz FDTKQNBZRKYEJF-QMTHXVAHSA-N -1 3 378.383 0.938 20 0 GCADHM C[C@@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@H]1N1CCOCC1 ZINC000820741680 606687106 /nfs/dbraw/zinc/68/71/06/606687106.db2.gz FDTKQNBZRKYEJF-QMTHXVAHSA-N -1 3 378.383 0.938 20 0 GCADHM O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823541324 606687701 /nfs/dbraw/zinc/68/77/01/606687701.db2.gz PCULKQLPQNHYTN-PWJLMRLQSA-N -1 3 391.338 0.253 20 0 GCADHM O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823541324 606687702 /nfs/dbraw/zinc/68/77/02/606687702.db2.gz PCULKQLPQNHYTN-PWJLMRLQSA-N -1 3 391.338 0.253 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819856777 606691308 /nfs/dbraw/zinc/69/13/08/606691308.db2.gz LRKABLGULZLQGH-OAHLLOKOSA-N -1 3 397.483 0.564 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819856777 606691309 /nfs/dbraw/zinc/69/13/09/606691309.db2.gz LRKABLGULZLQGH-OAHLLOKOSA-N -1 3 397.483 0.564 20 0 GCADHM COC(=O)[C@]1(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC000821653433 606692006 /nfs/dbraw/zinc/69/20/06/606692006.db2.gz BFNGWTBVIXWABS-INIZCTEOSA-N -1 3 377.426 0.548 20 0 GCADHM COC(=O)[C@]1(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC000821653433 606692007 /nfs/dbraw/zinc/69/20/07/606692007.db2.gz BFNGWTBVIXWABS-INIZCTEOSA-N -1 3 377.426 0.548 20 0 GCADHM COC(=O)[C@@]1(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCOC1 ZINC000821653901 606692721 /nfs/dbraw/zinc/69/27/21/606692721.db2.gz OERWDDDAZAFCFE-GOSISDBHSA-N -1 3 389.412 0.864 20 0 GCADHM COC(=O)[C@@]1(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCOC1 ZINC000821653901 606692722 /nfs/dbraw/zinc/69/27/22/606692722.db2.gz OERWDDDAZAFCFE-GOSISDBHSA-N -1 3 389.412 0.864 20 0 GCADHM Cc1csc(CS(=O)(=O)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822414509 606695870 /nfs/dbraw/zinc/69/58/70/606695870.db2.gz IJFIWIOOPSYVMG-LBPRGKRZSA-N -1 3 395.466 0.986 20 0 GCADHM C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC(=O)[N-]OCc1ccccc1 ZINC000821600358 606700242 /nfs/dbraw/zinc/70/02/42/606700242.db2.gz JGTGXXVGQBDTNQ-UHFFFAOYSA-N -1 3 385.432 0.284 20 0 GCADHM C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC(=O)[N-]OCc1ccccc1 ZINC000821600358 606700244 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GCADHM CCn1cnnc1CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821566496 606735051 /nfs/dbraw/zinc/73/50/51/606735051.db2.gz HHBMFIWCHAGDHX-UHFFFAOYSA-N -1 3 375.780 0.386 20 0 GCADHM O=C(NCCNC(=O)C1CC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823198069 606735254 /nfs/dbraw/zinc/73/52/54/606735254.db2.gz YDNCCLPWEREKQU-UHFFFAOYSA-N -1 3 377.792 0.101 20 0 GCADHM O=C(NCCNC(=O)C1CC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823198069 606735255 /nfs/dbraw/zinc/73/52/55/606735255.db2.gz YDNCCLPWEREKQU-UHFFFAOYSA-N -1 3 377.792 0.101 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000819803573 606735604 /nfs/dbraw/zinc/73/56/04/606735604.db2.gz NKJGOCIKEPFOBX-LLVKDONJSA-N -1 3 391.819 0.586 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000819803573 606735607 /nfs/dbraw/zinc/73/56/07/606735607.db2.gz NKJGOCIKEPFOBX-LLVKDONJSA-N -1 3 391.819 0.586 20 0 GCADHM COC(=O)N1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000821665109 606736598 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379.446 0.257 20 0 GCADHM CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821442706 606739802 /nfs/dbraw/zinc/73/98/02/606739802.db2.gz VFYMPAXHHCDFFP-UHFFFAOYSA-N -1 3 386.821 0.010 20 0 GCADHM CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821442706 606739803 /nfs/dbraw/zinc/73/98/03/606739803.db2.gz VFYMPAXHHCDFFP-UHFFFAOYSA-N -1 3 386.821 0.010 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823210472 606740255 /nfs/dbraw/zinc/74/02/55/606740255.db2.gz AAULWWRZXCKBQK-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823210472 606740256 /nfs/dbraw/zinc/74/02/56/606740256.db2.gz AAULWWRZXCKBQK-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCC[C@@H](O)C(F)(F)F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823182526 606740329 /nfs/dbraw/zinc/74/03/29/606740329.db2.gz LQQTWOWHOATMQO-SECBINFHSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(NCC[C@@H](O)C(F)(F)F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823182526 606740330 /nfs/dbraw/zinc/74/03/30/606740330.db2.gz LQQTWOWHOATMQO-SECBINFHSA-N -1 3 392.725 0.888 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CCS1(=O)=O ZINC000820735073 606740854 /nfs/dbraw/zinc/74/08/54/606740854.db2.gz PZSIMDGNLYHZIA-MRVPVSSYSA-N -1 3 398.832 0.104 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CCS1(=O)=O ZINC000820735073 606740856 /nfs/dbraw/zinc/74/08/56/606740856.db2.gz PZSIMDGNLYHZIA-MRVPVSSYSA-N -1 3 398.832 0.104 20 0 GCADHM COCCOC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821691714 606741695 /nfs/dbraw/zinc/74/16/95/606741695.db2.gz BGUKKJUAMJXAEQ-SECBINFHSA-N -1 3 382.808 0.626 20 0 GCADHM COCCOC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821691714 606741697 /nfs/dbraw/zinc/74/16/97/606741697.db2.gz BGUKKJUAMJXAEQ-SECBINFHSA-N -1 3 382.808 0.626 20 0 GCADHM Cn1cc([C@H](O)CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)cn1 ZINC000822669430 606741990 /nfs/dbraw/zinc/74/19/90/606741990.db2.gz KAEPMJIEFPGTBK-GFCCVEGCSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@H](O)CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)cn1 ZINC000822669430 606741993 /nfs/dbraw/zinc/74/19/93/606741993.db2.gz KAEPMJIEFPGTBK-GFCCVEGCSA-N -1 3 390.791 0.042 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000823290182 606744265 /nfs/dbraw/zinc/74/42/65/606744265.db2.gz UOCDYTWCIMUIMB-SECBINFHSA-N -1 3 389.803 0.338 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000823290182 606744267 /nfs/dbraw/zinc/74/42/67/606744267.db2.gz UOCDYTWCIMUIMB-SECBINFHSA-N -1 3 389.803 0.338 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H]1C ZINC000821656888 606744728 /nfs/dbraw/zinc/74/47/28/606744728.db2.gz BGRXPDVDEXUKHG-KWQFWETISA-N -1 3 385.833 0.950 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H]1C ZINC000821656888 606744730 /nfs/dbraw/zinc/74/47/30/606744730.db2.gz BGRXPDVDEXUKHG-KWQFWETISA-N -1 3 385.833 0.950 20 0 GCADHM CC[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000820979915 606745942 /nfs/dbraw/zinc/74/59/42/606745942.db2.gz KDMZWQTVXKIKIO-GFCCVEGCSA-N -1 3 395.427 0.704 20 0 GCADHM CC[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000820979915 606745943 /nfs/dbraw/zinc/74/59/43/606745943.db2.gz KDMZWQTVXKIKIO-GFCCVEGCSA-N -1 3 395.427 0.704 20 0 GCADHM CCNC(=O)N1CC[C@H](NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821284046 606748799 /nfs/dbraw/zinc/74/87/99/606748799.db2.gz ACLICNFNVIAVEZ-ZDUSSCGKSA-N -1 3 388.432 0.349 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821510033 606749223 /nfs/dbraw/zinc/74/92/23/606749223.db2.gz SZQSJKOTSFAQGF-GFCCVEGCSA-N -1 3 399.390 0.750 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821510033 606749224 /nfs/dbraw/zinc/74/92/24/606749224.db2.gz SZQSJKOTSFAQGF-GFCCVEGCSA-N -1 3 399.390 0.750 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821509683 606749512 /nfs/dbraw/zinc/74/95/12/606749512.db2.gz LCLRUXQMUYTUKH-LBPRGKRZSA-N -1 3 395.427 0.919 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821509683 606749514 /nfs/dbraw/zinc/74/95/14/606749514.db2.gz LCLRUXQMUYTUKH-LBPRGKRZSA-N -1 3 395.427 0.919 20 0 GCADHM Cc1oc(C(=O)OCCOc2cccc(-c3nnn[n-]3)c2)cc1S(N)(=O)=O ZINC000822540935 606752326 /nfs/dbraw/zinc/75/23/26/606752326.db2.gz HJAFPDWKVZOZJN-UHFFFAOYSA-N -1 3 393.381 0.651 20 0 GCADHM Cc1oc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cc1S(N)(=O)=O ZINC000822540935 606752327 /nfs/dbraw/zinc/75/23/27/606752327.db2.gz HJAFPDWKVZOZJN-UHFFFAOYSA-N -1 3 393.381 0.651 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC(S(C)(=O)=O)CC1 ZINC000821651606 606753570 /nfs/dbraw/zinc/75/35/70/606753570.db2.gz CFIDCFMOTLSMNI-CQSZACIVSA-N -1 3 379.442 0.590 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC(S(C)(=O)=O)CC1 ZINC000821651606 606753571 /nfs/dbraw/zinc/75/35/71/606753571.db2.gz CFIDCFMOTLSMNI-CQSZACIVSA-N -1 3 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ZINC000821755318 606815843 /nfs/dbraw/zinc/81/58/43/606815843.db2.gz DQURGSONIQZGHN-SNVBAGLBSA-N -1 3 394.482 0.779 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CSCCS1 ZINC000821755318 606815844 /nfs/dbraw/zinc/81/58/44/606815844.db2.gz DQURGSONIQZGHN-SNVBAGLBSA-N -1 3 394.482 0.779 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823308613 606817624 /nfs/dbraw/zinc/81/76/24/606817624.db2.gz HAWLTBRYNRFZOT-HNNXBMFYSA-N -1 3 397.439 0.713 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823308613 606817626 /nfs/dbraw/zinc/81/76/26/606817626.db2.gz HAWLTBRYNRFZOT-HNNXBMFYSA-N -1 3 397.439 0.713 20 0 GCADHM O=C(NCc1ccn2ccnc2c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823261699 606817691 /nfs/dbraw/zinc/81/76/91/606817691.db2.gz QRCPEKFKTSXJLG-UHFFFAOYSA-N -1 3 380.343 0.908 20 0 GCADHM O=C(NCc1ccn2ccnc2c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823261699 606817692 /nfs/dbraw/zinc/81/76/92/606817692.db2.gz QRCPEKFKTSXJLG-UHFFFAOYSA-N -1 3 380.343 0.908 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)CCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822312119 606817753 /nfs/dbraw/zinc/81/77/53/606817753.db2.gz AOIXQKYOLODWBI-JTQLQIEISA-N -1 3 380.430 0.053 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)CCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822312119 606817755 /nfs/dbraw/zinc/81/77/55/606817755.db2.gz AOIXQKYOLODWBI-JTQLQIEISA-N -1 3 380.430 0.053 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)CC[C@H](C)O ZINC000820474692 606818493 /nfs/dbraw/zinc/81/84/93/606818493.db2.gz UXBMMBJWFSKALK-NSHDSACASA-N -1 3 376.417 0.822 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CC[C@H](C)O ZINC000820474692 606818495 /nfs/dbraw/zinc/81/84/95/606818495.db2.gz UXBMMBJWFSKALK-NSHDSACASA-N -1 3 376.417 0.822 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000820838663 606818510 /nfs/dbraw/zinc/81/85/10/606818510.db2.gz ZCCZVBBBLLSNNJ-LBPRGKRZSA-N -1 3 395.427 0.375 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000820838663 606818512 /nfs/dbraw/zinc/81/85/12/606818512.db2.gz ZCCZVBBBLLSNNJ-LBPRGKRZSA-N -1 3 395.427 0.375 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821931714 606819195 /nfs/dbraw/zinc/81/91/95/606819195.db2.gz GPNDWNYUDFYGGR-YPMHNXCESA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821931714 606819198 /nfs/dbraw/zinc/81/91/98/606819198.db2.gz GPNDWNYUDFYGGR-YPMHNXCESA-N -1 3 394.457 0.080 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NCC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000821766043 606828949 /nfs/dbraw/zinc/82/89/49/606828949.db2.gz QCIPNYALZWYPIT-LBPRGKRZSA-N -1 3 387.444 0.804 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000821766043 606828950 /nfs/dbraw/zinc/82/89/50/606828950.db2.gz QCIPNYALZWYPIT-LBPRGKRZSA-N -1 3 387.444 0.804 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCC(=O)NC(N)=O ZINC000820151208 606830947 /nfs/dbraw/zinc/83/09/47/606830947.db2.gz CSIFAPDFJILYDO-UHFFFAOYSA-N -1 3 376.377 0.360 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCC(=O)NC(N)=O ZINC000820151208 606830949 /nfs/dbraw/zinc/83/09/49/606830949.db2.gz CSIFAPDFJILYDO-UHFFFAOYSA-N -1 3 376.377 0.360 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821932010 606835127 /nfs/dbraw/zinc/83/51/27/606835127.db2.gz INGTWKZPVHAESY-NOZJJQNGSA-N -1 3 397.436 0.845 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821932010 606835129 /nfs/dbraw/zinc/83/51/29/606835129.db2.gz INGTWKZPVHAESY-NOZJJQNGSA-N -1 3 397.436 0.845 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823190943 606837806 /nfs/dbraw/zinc/83/78/06/606837806.db2.gz HBBPQTJKHGHDFV-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823190943 606837807 /nfs/dbraw/zinc/83/78/07/606837807.db2.gz HBBPQTJKHGHDFV-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM CCn1cc(NC(=O)C(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000821565266 606837812 /nfs/dbraw/zinc/83/78/12/606837812.db2.gz LPTZDJXFAMWVRB-UHFFFAOYSA-N -1 3 398.427 0.697 20 0 GCADHM CCn1cc(NC(=O)C(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821565266 606837813 /nfs/dbraw/zinc/83/78/13/606837813.db2.gz LPTZDJXFAMWVRB-UHFFFAOYSA-N -1 3 398.427 0.697 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823337429 606838572 /nfs/dbraw/zinc/83/85/72/606838572.db2.gz LWAAXHIIFYUJFC-UONOGXRCSA-N -1 3 390.375 0.351 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823337429 606838574 /nfs/dbraw/zinc/83/85/74/606838574.db2.gz LWAAXHIIFYUJFC-UONOGXRCSA-N -1 3 390.375 0.351 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821637469 606839654 /nfs/dbraw/zinc/83/96/54/606839654.db2.gz HEXDHYQJRACFJU-UHFFFAOYSA-N -1 3 380.792 0.774 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821637469 606839655 /nfs/dbraw/zinc/83/96/55/606839655.db2.gz HEXDHYQJRACFJU-UHFFFAOYSA-N -1 3 380.792 0.774 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCN1CCOC ZINC000820995827 606843535 /nfs/dbraw/zinc/84/35/35/606843535.db2.gz YUALUURGESWIAI-CYBMUJFWSA-N -1 3 398.464 0.737 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCN1CCOC ZINC000820995827 606843537 /nfs/dbraw/zinc/84/35/37/606843537.db2.gz YUALUURGESWIAI-CYBMUJFWSA-N -1 3 398.464 0.737 20 0 GCADHM Cn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)C2)cn1 ZINC000822674199 606845960 /nfs/dbraw/zinc/84/59/60/606845960.db2.gz NJVZFFPAXAPECH-LLVKDONJSA-N -1 3 391.432 0.993 20 0 GCADHM O=S(=O)(NCCCO[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823572752 606847049 /nfs/dbraw/zinc/84/70/49/606847049.db2.gz LPXGIQSUTDSNLZ-SNVBAGLBSA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(NCCCO[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823572752 606847051 /nfs/dbraw/zinc/84/70/51/606847051.db2.gz LPXGIQSUTDSNLZ-SNVBAGLBSA-N -1 3 387.849 0.994 20 0 GCADHM CCN(CC)C(=O)CN1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821175060 606848902 /nfs/dbraw/zinc/84/89/02/606848902.db2.gz BGUQPIOBPSAZDH-QGZVFWFLSA-N -1 3 387.488 0.386 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696608 606862948 /nfs/dbraw/zinc/86/29/48/606862948.db2.gz JNWVAPJILWJLIK-FZMZJTMJSA-N -1 3 397.443 0.980 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696608 606862949 /nfs/dbraw/zinc/86/29/49/606862949.db2.gz JNWVAPJILWJLIK-FZMZJTMJSA-N -1 3 397.443 0.980 20 0 GCADHM CCCCn1nnnc1CS(=O)(=O)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821082109 606863120 /nfs/dbraw/zinc/86/31/20/606863120.db2.gz GMIHNQZWXBQFMJ-CYBMUJFWSA-N -1 3 392.445 0.302 20 0 GCADHM CCCCn1nnnc1CS(=O)(=O)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821082109 606863122 /nfs/dbraw/zinc/86/31/22/606863122.db2.gz GMIHNQZWXBQFMJ-CYBMUJFWSA-N -1 3 392.445 0.302 20 0 GCADHM NC(=O)[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850794 606863494 /nfs/dbraw/zinc/86/34/94/606863494.db2.gz QMIZCHVWQDCNKN-INIZCTEOSA-N -1 3 398.448 0.513 20 0 GCADHM NC(=O)[C@@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850794 606863495 /nfs/dbraw/zinc/86/34/95/606863495.db2.gz QMIZCHVWQDCNKN-INIZCTEOSA-N -1 3 398.448 0.513 20 0 GCADHM COCCc1nnc(SCCCOc2cccc(-c3nnn[n-]3)c2)n1N ZINC000821694165 606868521 /nfs/dbraw/zinc/86/85/21/606868521.db2.gz AOXPCJNXFCETBZ-UHFFFAOYSA-N -1 3 376.446 0.922 20 0 GCADHM COCCc1nnc(SCCCOc2cccc(-c3nn[n-]n3)c2)n1N ZINC000821694165 606868523 /nfs/dbraw/zinc/86/85/23/606868523.db2.gz AOXPCJNXFCETBZ-UHFFFAOYSA-N -1 3 376.446 0.922 20 0 GCADHM C[C@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2sccc2-c2nnn[n-]2)C1=O ZINC000820636559 606871873 /nfs/dbraw/zinc/87/18/73/606871873.db2.gz UFMKUWGZBBYCKC-MRXNPFEDSA-N -1 3 398.408 0.729 20 0 GCADHM C[C@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2sccc2-c2nn[n-]n2)C1=O ZINC000820636559 606871874 /nfs/dbraw/zinc/87/18/74/606871874.db2.gz UFMKUWGZBBYCKC-MRXNPFEDSA-N -1 3 398.408 0.729 20 0 GCADHM O=S(=O)(Oc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000823613916 606872711 /nfs/dbraw/zinc/87/27/11/606872711.db2.gz LZGJOZIFLPFEHC-UHFFFAOYSA-N -1 3 392.418 0.964 20 0 GCADHM O=S(=O)(Oc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000823613916 606872713 /nfs/dbraw/zinc/87/27/13/606872713.db2.gz LZGJOZIFLPFEHC-UHFFFAOYSA-N -1 3 392.418 0.964 20 0 GCADHM O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823572607 606873689 /nfs/dbraw/zinc/87/36/89/606873689.db2.gz JLIDTWURKOREHT-CVEARBPZSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823572607 606873691 /nfs/dbraw/zinc/87/36/91/606873691.db2.gz JLIDTWURKOREHT-CVEARBPZSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823573104 606873848 /nfs/dbraw/zinc/87/38/48/606873848.db2.gz RSAVZWSGEMDYTQ-HZPDHXFCSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823573104 606873850 /nfs/dbraw/zinc/87/38/50/606873850.db2.gz RSAVZWSGEMDYTQ-HZPDHXFCSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823572609 606873950 /nfs/dbraw/zinc/87/39/50/606873950.db2.gz JLIDTWURKOREHT-HOTGVXAUSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823572609 606873951 /nfs/dbraw/zinc/87/39/51/606873951.db2.gz JLIDTWURKOREHT-HOTGVXAUSA-N -1 3 392.485 0.788 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696873 606876179 /nfs/dbraw/zinc/87/61/79/606876179.db2.gz SIUAECLWASJZPA-AWEZNQCLSA-N -1 3 397.443 0.761 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696873 606876180 /nfs/dbraw/zinc/87/61/80/606876180.db2.gz SIUAECLWASJZPA-AWEZNQCLSA-N -1 3 397.443 0.761 20 0 GCADHM O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)CCN12 ZINC000823551686 606878966 /nfs/dbraw/zinc/87/89/66/606878966.db2.gz ZLSPTOCRDZXJCS-MRVPVSSYSA-N -1 3 384.805 0.345 20 0 GCADHM O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(Cl)c3)CCN12 ZINC000823551686 606878967 /nfs/dbraw/zinc/87/89/67/606878967.db2.gz ZLSPTOCRDZXJCS-MRVPVSSYSA-N -1 3 384.805 0.345 20 0 GCADHM C[C@@H](CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)CS(C)(=O)=O ZINC000820259736 606880566 /nfs/dbraw/zinc/88/05/66/606880566.db2.gz BSERKMBNEXOUIG-LBPRGKRZSA-N -1 3 382.465 0.809 20 0 GCADHM CNC(=O)C1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821631345 606885093 /nfs/dbraw/zinc/88/50/93/606885093.db2.gz GJXMDIPROVZQNZ-UHFFFAOYSA-N -1 3 386.384 0.292 20 0 GCADHM CNC(=O)C1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821631345 606885094 /nfs/dbraw/zinc/88/50/94/606885094.db2.gz GJXMDIPROVZQNZ-UHFFFAOYSA-N -1 3 386.384 0.292 20 0 GCADHM CCCN(CC(=O)N(C)C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821088824 606886025 /nfs/dbraw/zinc/88/60/25/606886025.db2.gz XQSAPDBYIPRPDO-UHFFFAOYSA-N -1 3 388.400 0.634 20 0 GCADHM CCCN(CC(=O)N(C)C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821088824 606886026 /nfs/dbraw/zinc/88/60/26/606886026.db2.gz XQSAPDBYIPRPDO-UHFFFAOYSA-N -1 3 388.400 0.634 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820294077 606889662 /nfs/dbraw/zinc/88/96/62/606889662.db2.gz QQRATQMCJMAOEW-SSDOTTSWSA-N -1 3 395.413 0.199 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820294077 606889663 /nfs/dbraw/zinc/88/96/63/606889663.db2.gz QQRATQMCJMAOEW-SSDOTTSWSA-N -1 3 395.413 0.199 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)C2 ZINC000821555042 606890185 /nfs/dbraw/zinc/89/01/85/606890185.db2.gz ZSKGRLOZJRVXIL-UHFFFAOYSA-N -1 3 396.383 0.503 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)C2 ZINC000821555042 606890187 /nfs/dbraw/zinc/89/01/87/606890187.db2.gz ZSKGRLOZJRVXIL-UHFFFAOYSA-N -1 3 396.383 0.503 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC000821657893 606895830 /nfs/dbraw/zinc/89/58/30/606895830.db2.gz YKYBJQABFVWTMH-APPZFPTMSA-N -1 3 387.368 0.575 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC000821657893 606895832 /nfs/dbraw/zinc/89/58/32/606895832.db2.gz YKYBJQABFVWTMH-APPZFPTMSA-N -1 3 387.368 0.575 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000822153016 606897940 /nfs/dbraw/zinc/89/79/40/606897940.db2.gz KFXKFBFYLSSVDV-OLZOCXBDSA-N -1 3 378.458 0.888 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000822153016 606897942 /nfs/dbraw/zinc/89/79/42/606897942.db2.gz KFXKFBFYLSSVDV-OLZOCXBDSA-N -1 3 378.458 0.888 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822859714 606898113 /nfs/dbraw/zinc/89/81/13/606898113.db2.gz IOAVXZQWGYENRM-GXFFZTMASA-N -1 3 382.421 0.718 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822859714 606898115 /nfs/dbraw/zinc/89/81/15/606898115.db2.gz IOAVXZQWGYENRM-GXFFZTMASA-N -1 3 382.421 0.718 20 0 GCADHM O=C([C@@H]1CCCc2n[nH]cc21)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822917160 606903522 /nfs/dbraw/zinc/90/35/22/606903522.db2.gz OVOKMXPDJMAXSX-GFCCVEGCSA-N -1 3 379.428 0.754 20 0 GCADHM O=C([C@@H]1CCCc2n[nH]cc21)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822917160 606903524 /nfs/dbraw/zinc/90/35/24/606903524.db2.gz OVOKMXPDJMAXSX-GFCCVEGCSA-N -1 3 379.428 0.754 20 0 GCADHM CN(C[C@H]1CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1)c1cccnn1 ZINC000821598087 606905646 /nfs/dbraw/zinc/90/56/46/606905646.db2.gz QKLCMFDUZPHLQK-DLBZAZTESA-N -1 3 396.455 0.527 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CCN2C1=O ZINC000821241889 606905916 /nfs/dbraw/zinc/90/59/16/606905916.db2.gz PTXONLDFGHPTIE-CYBMUJFWSA-N -1 3 384.400 0.675 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CCN2C1=O ZINC000821241889 606905917 /nfs/dbraw/zinc/90/59/17/606905917.db2.gz PTXONLDFGHPTIE-CYBMUJFWSA-N -1 3 384.400 0.675 20 0 GCADHM O[C@H](CN1CCO[C@H](CNc2cccnn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681531 606906478 /nfs/dbraw/zinc/90/64/78/606906478.db2.gz GAFIYIWBTLLPLC-HZPDHXFCSA-N -1 3 382.428 0.503 20 0 GCADHM O[C@H](CN1CCO[C@H](CNc2cccnn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681531 606906480 /nfs/dbraw/zinc/90/64/80/606906480.db2.gz GAFIYIWBTLLPLC-HZPDHXFCSA-N -1 3 382.428 0.503 20 0 GCADHM CCc1nnc(N2CCN(c3nccc(OC)n3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821529120 606910983 /nfs/dbraw/zinc/91/09/83/606910983.db2.gz SYHMKJVWYGDSFN-UHFFFAOYSA-N -1 3 396.459 0.907 20 0 GCADHM CCc1nnc(N2CCN(c3nccc(OC)n3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821529120 606910984 /nfs/dbraw/zinc/91/09/84/606910984.db2.gz SYHMKJVWYGDSFN-UHFFFAOYSA-N -1 3 396.459 0.907 20 0 GCADHM CCc1nnc(NCCS(=O)(=O)NCC2CCC2)c(-c2nnn[n-]2)c1CC ZINC000821541930 606911729 /nfs/dbraw/zinc/91/17/29/606911729.db2.gz DIFWKUCECXLOJD-UHFFFAOYSA-N -1 3 394.505 0.913 20 0 GCADHM CCc1nnc(NCCS(=O)(=O)NCC2CCC2)c(-c2nn[n-]n2)c1CC ZINC000821541930 606911730 /nfs/dbraw/zinc/91/17/30/606911730.db2.gz DIFWKUCECXLOJD-UHFFFAOYSA-N -1 3 394.505 0.913 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)CCN2C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822899927 606919876 /nfs/dbraw/zinc/91/98/76/606919876.db2.gz YSOJTMKWNKNQQA-INIZCTEOSA-N -1 3 386.437 0.610 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)CCN2C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822899927 606919877 /nfs/dbraw/zinc/91/98/77/606919877.db2.gz YSOJTMKWNKNQQA-INIZCTEOSA-N -1 3 386.437 0.610 20 0 GCADHM CCNC(=O)CN1CCCN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)CC1 ZINC000821286287 606920397 /nfs/dbraw/zinc/92/03/97/606920397.db2.gz POKRIVLUTCADRN-UHFFFAOYSA-N -1 3 387.492 0.430 20 0 GCADHM CCNC(=O)CN1CCCN(c2nnc(CC)c(CC)c2-c2nn[n-]n2)CC1 ZINC000821286287 606920398 /nfs/dbraw/zinc/92/03/98/606920398.db2.gz POKRIVLUTCADRN-UHFFFAOYSA-N -1 3 387.492 0.430 20 0 GCADHM CCc1nnc(N2CCC[C@@H](NS(C)(=O)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821523531 606920990 /nfs/dbraw/zinc/92/09/90/606920990.db2.gz XQTMMVIPNNMHHO-SNVBAGLBSA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCC[C@@H](NS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821523531 606920991 /nfs/dbraw/zinc/92/09/91/606920991.db2.gz XQTMMVIPNNMHHO-SNVBAGLBSA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N[C@H]2CCCN(S(C)(=O)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821527434 606924107 /nfs/dbraw/zinc/92/41/07/606924107.db2.gz FFGNQHCYYACYEB-JTQLQIEISA-N -1 3 380.478 0.617 20 0 GCADHM CCc1nnc(N[C@H]2CCCN(S(C)(=O)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821527434 606924109 /nfs/dbraw/zinc/92/41/09/606924109.db2.gz FFGNQHCYYACYEB-JTQLQIEISA-N -1 3 380.478 0.617 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(C[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000822899815 606927187 /nfs/dbraw/zinc/92/71/87/606927187.db2.gz UKERZXQPNKEIKV-INIZCTEOSA-N -1 3 386.437 0.610 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(C[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822899815 606927189 /nfs/dbraw/zinc/92/71/89/606927189.db2.gz UKERZXQPNKEIKV-INIZCTEOSA-N -1 3 386.437 0.610 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCCCC2=O)CC1 ZINC000822850522 606934292 /nfs/dbraw/zinc/93/42/92/606934292.db2.gz JDXBSLJQXGSSLM-QGZVFWFLSA-N -1 3 383.456 0.870 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)OC[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822542081 606935283 /nfs/dbraw/zinc/93/52/83/606935283.db2.gz URQMNFFKDKLBOJ-KOLCDFICSA-N -1 3 375.389 0.540 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)OC[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822542080 606935296 /nfs/dbraw/zinc/93/52/96/606935296.db2.gz URQMNFFKDKLBOJ-GXSJLCMTSA-N -1 3 375.389 0.540 20 0 GCADHM CCc1nnc(N(C)CCN2CCCS2(=O)=O)c(-c2nnn[n-]2)c1CC ZINC000821518491 606940052 /nfs/dbraw/zinc/94/00/52/606940052.db2.gz WNZWQSVYAUETDF-UHFFFAOYSA-N -1 3 380.478 0.253 20 0 GCADHM CCc1nnc(N(C)CCN2CCCS2(=O)=O)c(-c2nn[n-]n2)c1CC ZINC000821518491 606940053 /nfs/dbraw/zinc/94/00/53/606940053.db2.gz WNZWQSVYAUETDF-UHFFFAOYSA-N -1 3 380.478 0.253 20 0 GCADHM CCc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000821520980 606941572 /nfs/dbraw/zinc/94/15/72/606941572.db2.gz CKJMAFAZUWCMEW-GOSISDBHSA-N -1 3 399.459 0.596 20 0 GCADHM CCc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000821520980 606941574 /nfs/dbraw/zinc/94/15/74/606941574.db2.gz CKJMAFAZUWCMEW-GOSISDBHSA-N -1 3 399.459 0.596 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(-c2nnn[n-]2)c1CC ZINC000821536520 606942260 /nfs/dbraw/zinc/94/22/60/606942260.db2.gz VJDIFGXJWCZDOP-MLCYQJTMSA-N -1 3 399.459 0.914 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(-c2nn[n-]n2)c1CC ZINC000821536520 606942262 /nfs/dbraw/zinc/94/22/62/606942262.db2.gz VJDIFGXJWCZDOP-MLCYQJTMSA-N -1 3 399.459 0.914 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000281734940 606942908 /nfs/dbraw/zinc/94/29/08/606942908.db2.gz IAVJUEWFKMDZRA-QWHCGFSZSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000281734940 606942910 /nfs/dbraw/zinc/94/29/10/606942910.db2.gz IAVJUEWFKMDZRA-QWHCGFSZSA-N -1 3 396.860 0.952 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820467292 606949549 /nfs/dbraw/zinc/94/95/49/606949549.db2.gz CWTVWUDXCPJXGT-ABAIWWIYSA-N -1 3 389.412 0.454 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820467292 606949551 /nfs/dbraw/zinc/94/95/51/606949551.db2.gz CWTVWUDXCPJXGT-ABAIWWIYSA-N -1 3 389.412 0.454 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822210417 606951521 /nfs/dbraw/zinc/95/15/21/606951521.db2.gz AMZBVQGLXTVKFO-LLVKDONJSA-N -1 3 398.379 0.785 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822210417 606951522 /nfs/dbraw/zinc/95/15/22/606951522.db2.gz AMZBVQGLXTVKFO-LLVKDONJSA-N -1 3 398.379 0.785 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000823358630 606965405 /nfs/dbraw/zinc/96/54/05/606965405.db2.gz CWOGPTHUUBCKPW-HOTGVXAUSA-N -1 3 399.455 0.565 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000823358630 606965406 /nfs/dbraw/zinc/96/54/06/606965406.db2.gz CWOGPTHUUBCKPW-HOTGVXAUSA-N -1 3 399.455 0.565 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000823308495 606965534 /nfs/dbraw/zinc/96/55/34/606965534.db2.gz BVWUKGQRXXDVRC-JKSUJKDBSA-N -1 3 399.455 0.565 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000823309273 606967208 /nfs/dbraw/zinc/96/72/08/606967208.db2.gz VUPUOJADACATPH-AWEZNQCLSA-N -1 3 379.380 0.880 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000823309273 606967210 /nfs/dbraw/zinc/96/72/10/606967210.db2.gz VUPUOJADACATPH-AWEZNQCLSA-N -1 3 379.380 0.880 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000823360110 606967630 /nfs/dbraw/zinc/96/76/30/606967630.db2.gz VZQGXWXTRXMJIR-UHFFFAOYSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000823360110 606967632 /nfs/dbraw/zinc/96/76/32/606967632.db2.gz VZQGXWXTRXMJIR-UHFFFAOYSA-N -1 3 397.439 0.809 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccccn1 ZINC000820450061 606976494 /nfs/dbraw/zinc/97/64/94/606976494.db2.gz GNPSIOUCOJKAET-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccccn1 ZINC000820450061 606976496 /nfs/dbraw/zinc/97/64/96/606976496.db2.gz GNPSIOUCOJKAET-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCCCC1 ZINC000820438086 606976564 /nfs/dbraw/zinc/97/65/64/606976564.db2.gz IHDGPSVMKDHBBN-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCCCC1 ZINC000820438086 606976566 /nfs/dbraw/zinc/97/65/66/606976566.db2.gz IHDGPSVMKDHBBN-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cccnc1 ZINC000820450565 606976631 /nfs/dbraw/zinc/97/66/31/606976631.db2.gz MOPYTVVTZOXIHR-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cccnc1 ZINC000820450565 606976632 /nfs/dbraw/zinc/97/66/32/606976632.db2.gz MOPYTVVTZOXIHR-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM COCCc1noc(CN(C)[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821694665 606983710 /nfs/dbraw/zinc/98/37/10/606983710.db2.gz XILMQRZCKPUCIR-HNNXBMFYSA-N -1 3 387.400 0.785 20 0 GCADHM COCCc1noc(CN(C)[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821694665 606983711 /nfs/dbraw/zinc/98/37/11/606983711.db2.gz XILMQRZCKPUCIR-HNNXBMFYSA-N -1 3 387.400 0.785 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000823535782 606984284 /nfs/dbraw/zinc/98/42/84/606984284.db2.gz HQIUARDUQKFICR-LSDHHAIUSA-N -1 3 390.469 0.383 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]2CCCC[C@@H]2N1 ZINC000823535782 606984286 /nfs/dbraw/zinc/98/42/86/606984286.db2.gz HQIUARDUQKFICR-LSDHHAIUSA-N -1 3 390.469 0.383 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nccs1 ZINC000820447520 606985463 /nfs/dbraw/zinc/98/54/63/606985463.db2.gz ZMUDZHVUFWEDGH-QMMMGPOBSA-N -1 3 379.427 0.629 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nccs1 ZINC000820447520 606985465 /nfs/dbraw/zinc/98/54/65/606985465.db2.gz ZMUDZHVUFWEDGH-QMMMGPOBSA-N -1 3 379.427 0.629 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC000820957722 606988584 /nfs/dbraw/zinc/98/85/84/606988584.db2.gz PPVOPZWCJCXQDY-INIZCTEOSA-N -1 3 376.348 0.770 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC000820957722 606988585 /nfs/dbraw/zinc/98/85/85/606988585.db2.gz PPVOPZWCJCXQDY-INIZCTEOSA-N -1 3 376.348 0.770 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C1CCCC1 ZINC000820445888 606988916 /nfs/dbraw/zinc/98/89/16/606988916.db2.gz RKGQYZNGXCQKOK-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C1CCCC1 ZINC000820445888 606988917 /nfs/dbraw/zinc/98/89/17/606988917.db2.gz RKGQYZNGXCQKOK-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[C@@H]1CCCO1 ZINC000820446272 606990115 /nfs/dbraw/zinc/99/01/15/606990115.db2.gz TYJDJJPGEVMANQ-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[C@@H]1CCCO1 ZINC000820446272 606990116 /nfs/dbraw/zinc/99/01/16/606990116.db2.gz TYJDJJPGEVMANQ-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C1CCOCC1 ZINC000481779927 606991205 /nfs/dbraw/zinc/99/12/05/606991205.db2.gz AXJLZOBYMBVHPJ-NSHDSACASA-N -1 3 379.442 0.465 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823136192 606992880 /nfs/dbraw/zinc/99/28/80/606992880.db2.gz NYYQJSVHGYPJFX-UHFFFAOYSA-N -1 3 381.327 0.854 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823136192 606992881 /nfs/dbraw/zinc/99/28/81/606992881.db2.gz NYYQJSVHGYPJFX-UHFFFAOYSA-N -1 3 381.327 0.854 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccsc1 ZINC000820443999 606995274 /nfs/dbraw/zinc/99/52/74/606995274.db2.gz DBIYQOGLEQEELW-JTQLQIEISA-N -1 3 392.466 0.911 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccsc1 ZINC000820443999 606995276 /nfs/dbraw/zinc/99/52/76/606995276.db2.gz DBIYQOGLEQEELW-JTQLQIEISA-N -1 3 392.466 0.911 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000819991680 606997538 /nfs/dbraw/zinc/99/75/38/606997538.db2.gz KHPLWTBABYJQTJ-LBPRGKRZSA-N -1 3 387.444 0.931 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000819991680 606997539 /nfs/dbraw/zinc/99/75/39/606997539.db2.gz KHPLWTBABYJQTJ-LBPRGKRZSA-N -1 3 387.444 0.931 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cn1 ZINC000820450311 606998398 /nfs/dbraw/zinc/99/83/98/606998398.db2.gz JLTLDRWGGCADNV-VIFPVBQESA-N -1 3 391.388 0.706 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cn1 ZINC000820450311 606998400 /nfs/dbraw/zinc/99/84/00/606998400.db2.gz JLTLDRWGGCADNV-VIFPVBQESA-N -1 3 391.388 0.706 20 0 GCADHM Cn1c2ccncc2n(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1=O ZINC000822596029 606998879 /nfs/dbraw/zinc/99/88/79/606998879.db2.gz GIPHFXDLRLYJIT-UHFFFAOYSA-N -1 3 392.427 0.090 20 0 GCADHM Cn1c2ccncc2n(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1=O ZINC000822596029 606998880 /nfs/dbraw/zinc/99/88/80/606998880.db2.gz GIPHFXDLRLYJIT-UHFFFAOYSA-N -1 3 392.427 0.090 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820467708 607001537 /nfs/dbraw/zinc/00/15/37/607001537.db2.gz MBTPOXDGTWZPEY-NOZJJQNGSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820467708 607001539 /nfs/dbraw/zinc/00/15/39/607001539.db2.gz MBTPOXDGTWZPEY-NOZJJQNGSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@H]1OCCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)[C@@H]1C ZINC000820821961 607001721 /nfs/dbraw/zinc/00/17/21/607001721.db2.gz WQLVWWNJKYCLBT-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@H]1OCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)[C@@H]1C ZINC000820821961 607001723 /nfs/dbraw/zinc/00/17/23/607001723.db2.gz WQLVWWNJKYCLBT-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1[C@H](C)OCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000820819482 607001846 /nfs/dbraw/zinc/00/18/46/607001846.db2.gz JAWHCHQYHLCYCL-FTLABTOESA-N -1 3 385.428 0.700 20 0 GCADHM C[C@@H]1[C@H](C)OCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000820819482 607001848 /nfs/dbraw/zinc/00/18/48/607001848.db2.gz JAWHCHQYHLCYCL-FTLABTOESA-N -1 3 385.428 0.700 20 0 GCADHM C[C@@H]1[C@H](C)OCCN1CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820819778 607002057 /nfs/dbraw/zinc/00/20/57/607002057.db2.gz KOUUESREOPPJRE-OLZOCXBDSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1[C@H](C)OCCN1CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820819778 607002059 /nfs/dbraw/zinc/00/20/59/607002059.db2.gz KOUUESREOPPJRE-OLZOCXBDSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1[C@H](C)OCCN1CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000820821962 607002081 /nfs/dbraw/zinc/00/20/81/607002081.db2.gz WQLVWWNJKYCLBT-OLZOCXBDSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1[C@H](C)OCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000820821962 607002083 /nfs/dbraw/zinc/00/20/83/607002083.db2.gz WQLVWWNJKYCLBT-OLZOCXBDSA-N -1 3 385.428 0.698 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822492319 607003578 /nfs/dbraw/zinc/00/35/78/607003578.db2.gz XLEGZSWNOIRCGS-UHFFFAOYSA-N -1 3 385.384 0.778 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822492319 607003580 /nfs/dbraw/zinc/00/35/80/607003580.db2.gz XLEGZSWNOIRCGS-UHFFFAOYSA-N -1 3 385.384 0.778 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822492535 607003809 /nfs/dbraw/zinc/00/38/09/607003809.db2.gz ZZZLCLOVNRRKNL-UHFFFAOYSA-N -1 3 399.411 0.455 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822492535 607003812 /nfs/dbraw/zinc/00/38/12/607003812.db2.gz ZZZLCLOVNRRKNL-UHFFFAOYSA-N -1 3 399.411 0.455 20 0 GCADHM COC(=O)C[C@H](C)C(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821657658 607003876 /nfs/dbraw/zinc/00/38/76/607003876.db2.gz SPJABPROPGCYLW-WCBMZHEXSA-N -1 3 379.398 0.776 20 0 GCADHM COC(=O)C[C@H](C)C(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821657658 607003877 /nfs/dbraw/zinc/00/38/77/607003877.db2.gz SPJABPROPGCYLW-WCBMZHEXSA-N -1 3 379.398 0.776 20 0 GCADHM CCCN(C)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821088587 607004010 /nfs/dbraw/zinc/00/40/10/607004010.db2.gz PARYRHVZLKHKNY-UHFFFAOYSA-N -1 3 383.453 0.714 20 0 GCADHM Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)on1 ZINC000822199874 607004111 /nfs/dbraw/zinc/00/41/11/607004111.db2.gz LBBDEVHLSMVVKJ-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)on1 ZINC000822199874 607004113 /nfs/dbraw/zinc/00/41/13/607004113.db2.gz LBBDEVHLSMVVKJ-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM COc1cc2c(nn1)CCN(S(=O)(=O)c1cc(-c3nnn[n-]3)ccc1C)C2 ZINC000821728404 607005350 /nfs/dbraw/zinc/00/53/50/607005350.db2.gz VXULKTPYSOKKNR-UHFFFAOYSA-N -1 3 387.425 0.721 20 0 GCADHM COc1cc2c(nn1)CCN(S(=O)(=O)c1cc(-c3nn[n-]n3)ccc1C)C2 ZINC000821728404 607005352 /nfs/dbraw/zinc/00/53/52/607005352.db2.gz VXULKTPYSOKKNR-UHFFFAOYSA-N -1 3 387.425 0.721 20 0 GCADHM COc1cc2c(nn1)CCN(S(=O)(=O)Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC000821727310 607005761 /nfs/dbraw/zinc/00/57/61/607005761.db2.gz HGZQJALHHSYRGU-UHFFFAOYSA-N -1 3 387.425 0.553 20 0 GCADHM COc1cc2c(nn1)CCN(S(=O)(=O)Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC000821727310 607005763 /nfs/dbraw/zinc/00/57/63/607005763.db2.gz HGZQJALHHSYRGU-UHFFFAOYSA-N -1 3 387.425 0.553 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821640376 607007682 /nfs/dbraw/zinc/00/76/82/607007682.db2.gz HMOXTEZSNQABLC-CQSZACIVSA-N -1 3 397.457 0.595 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821640376 607007684 /nfs/dbraw/zinc/00/76/84/607007684.db2.gz HMOXTEZSNQABLC-CQSZACIVSA-N -1 3 397.457 0.595 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821640665 607007889 /nfs/dbraw/zinc/00/78/89/607007889.db2.gz MHYUJRDLVNSVQL-ZDUSSCGKSA-N -1 3 383.430 0.454 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821640665 607007891 /nfs/dbraw/zinc/00/78/91/607007891.db2.gz MHYUJRDLVNSVQL-ZDUSSCGKSA-N -1 3 383.430 0.454 20 0 GCADHM COCCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821686998 607009947 /nfs/dbraw/zinc/00/99/47/607009947.db2.gz IYUVVOJSZINIHT-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM COCCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821686998 607009949 /nfs/dbraw/zinc/00/99/49/607009949.db2.gz IYUVVOJSZINIHT-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM CCCCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821073219 607010766 /nfs/dbraw/zinc/01/07/66/607010766.db2.gz YFQLGAOWASBEOO-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM CCCCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821073219 607010767 /nfs/dbraw/zinc/01/07/67/607010767.db2.gz YFQLGAOWASBEOO-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM CCCN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821087654 607017108 /nfs/dbraw/zinc/01/71/08/607017108.db2.gz DUJCEOJAVRYTDP-AWEZNQCLSA-N -1 3 378.458 0.704 20 0 GCADHM CCCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821087654 607017110 /nfs/dbraw/zinc/01/71/10/607017110.db2.gz DUJCEOJAVRYTDP-AWEZNQCLSA-N -1 3 378.458 0.704 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cscn1 ZINC000820450476 607017142 /nfs/dbraw/zinc/01/71/42/607017142.db2.gz KWAFMPIKXGZGAJ-VIFPVBQESA-N -1 3 393.454 0.306 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cscn1 ZINC000820450476 607017143 /nfs/dbraw/zinc/01/71/43/607017143.db2.gz KWAFMPIKXGZGAJ-VIFPVBQESA-N -1 3 393.454 0.306 20 0 GCADHM CN(CCCNC(=O)CSc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000821599215 607017150 /nfs/dbraw/zinc/01/71/50/607017150.db2.gz KNFAJMIPGLLGHU-UHFFFAOYSA-N -1 3 384.487 0.357 20 0 GCADHM CN(CCCNC(=O)CSc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000821599215 607017152 /nfs/dbraw/zinc/01/71/52/607017152.db2.gz KNFAJMIPGLLGHU-UHFFFAOYSA-N -1 3 384.487 0.357 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000821400091 607019010 /nfs/dbraw/zinc/01/90/10/607019010.db2.gz DTYMSGJTOHHNCK-LBPRGKRZSA-N -1 3 396.411 0.601 20 0 GCADHM CO[C@H](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821673411 607020201 /nfs/dbraw/zinc/02/02/01/607020201.db2.gz AMGWPQIUKFYXQI-MNOVXSKESA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@H](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821673411 607020203 /nfs/dbraw/zinc/02/02/03/607020203.db2.gz AMGWPQIUKFYXQI-MNOVXSKESA-N -1 3 382.446 0.075 20 0 GCADHM CN1C(=O)N[C@@]2(CCN(C(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC000821620674 607020504 /nfs/dbraw/zinc/02/05/04/607020504.db2.gz RQMDKLQCFYKWRI-GOSISDBHSA-N -1 3 399.411 0.177 20 0 GCADHM CO[C@H](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821674009 607020868 /nfs/dbraw/zinc/02/08/68/607020868.db2.gz RBGLRNITFQCTLW-MNOVXSKESA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@H](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821674009 607020869 /nfs/dbraw/zinc/02/08/69/607020869.db2.gz RBGLRNITFQCTLW-MNOVXSKESA-N -1 3 382.446 0.075 20 0 GCADHM CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000821083221 607021372 /nfs/dbraw/zinc/02/13/72/607021372.db2.gz VXPILGKLLFOQBL-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000821083221 607021374 /nfs/dbraw/zinc/02/13/74/607021374.db2.gz VXPILGKLLFOQBL-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM Cc1ccncc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822380010 607023031 /nfs/dbraw/zinc/02/30/31/607023031.db2.gz YLXNCPRUYGRTRH-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccncc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822380010 607023033 /nfs/dbraw/zinc/02/30/33/607023033.db2.gz YLXNCPRUYGRTRH-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM CC[C@H](O)CN1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820933754 607023064 /nfs/dbraw/zinc/02/30/64/607023064.db2.gz YREPRFZICXEWOX-HNNXBMFYSA-N -1 3 388.472 0.939 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC2(CC2)CC1 ZINC000820443947 607024438 /nfs/dbraw/zinc/02/44/38/607024438.db2.gz BTCNMFVCDAQYQW-GFCCVEGCSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC2(CC2)CC1 ZINC000820443947 607024439 /nfs/dbraw/zinc/02/44/39/607024439.db2.gz BTCNMFVCDAQYQW-GFCCVEGCSA-N -1 3 390.469 0.936 20 0 GCADHM CCN(CC1CC1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821197456 607026115 /nfs/dbraw/zinc/02/61/15/607026115.db2.gz LHDXWNMWMMZWEU-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM CCN(CC1CC1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821197456 607026117 /nfs/dbraw/zinc/02/61/17/607026117.db2.gz LHDXWNMWMMZWEU-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000822207522 607026487 /nfs/dbraw/zinc/02/64/87/607026487.db2.gz YVDXFFSDNCBJAH-NSHDSACASA-N -1 3 387.425 0.298 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000822207522 607026489 /nfs/dbraw/zinc/02/64/89/607026489.db2.gz YVDXFFSDNCBJAH-NSHDSACASA-N -1 3 387.425 0.298 20 0 GCADHM Cn1c(=O)cc(COc2ccc(Br)cc2-c2nnn[n-]2)n(C)c1=O ZINC000822596476 607032261 /nfs/dbraw/zinc/03/22/61/607032261.db2.gz LMTXIVHNZHSANR-UHFFFAOYSA-N -1 3 393.201 0.606 20 0 GCADHM Cn1c(=O)cc(COc2ccc(Br)cc2-c2nn[n-]n2)n(C)c1=O ZINC000822596476 607032263 /nfs/dbraw/zinc/03/22/63/607032263.db2.gz LMTXIVHNZHSANR-UHFFFAOYSA-N -1 3 393.201 0.606 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000823162032 607033578 /nfs/dbraw/zinc/03/35/78/607033578.db2.gz SCWUVOCQVZKHOF-DNVCBOLYSA-N -1 3 384.440 0.750 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000823162032 607033579 /nfs/dbraw/zinc/03/35/79/607033579.db2.gz SCWUVOCQVZKHOF-DNVCBOLYSA-N -1 3 384.440 0.750 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000823162034 607033775 /nfs/dbraw/zinc/03/37/75/607033775.db2.gz SCWUVOCQVZKHOF-KXBFYZLASA-N -1 3 384.440 0.750 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000823162034 607033777 /nfs/dbraw/zinc/03/37/77/607033777.db2.gz SCWUVOCQVZKHOF-KXBFYZLASA-N -1 3 384.440 0.750 20 0 GCADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1cc(C(=O)OC)nn1 ZINC000821123021 607040999 /nfs/dbraw/zinc/04/09/99/607040999.db2.gz HNSHDWCVUDCJCF-UHFFFAOYSA-N -1 3 385.388 0.705 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000820438775 607041243 /nfs/dbraw/zinc/04/12/43/607041243.db2.gz WNRXUNZNIRHTCQ-SUHUHFCYSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000820438775 607041244 /nfs/dbraw/zinc/04/12/44/607041244.db2.gz WNRXUNZNIRHTCQ-SUHUHFCYSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCSC[C@@H]1C ZINC000820438449 607041275 /nfs/dbraw/zinc/04/12/75/607041275.db2.gz PVTFDUTYLSATMA-WDEREUQCSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCSC[C@@H]1C ZINC000820438449 607041276 /nfs/dbraw/zinc/04/12/76/607041276.db2.gz PVTFDUTYLSATMA-WDEREUQCSA-N -1 3 396.498 0.497 20 0 GCADHM CC[C@@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820909586 607042029 /nfs/dbraw/zinc/04/20/29/607042029.db2.gz XVMGEAWBCAUYNT-PWSUYJOCSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820909586 607042030 /nfs/dbraw/zinc/04/20/30/607042030.db2.gz XVMGEAWBCAUYNT-PWSUYJOCSA-N -1 3 382.446 0.075 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000820447468 607042416 /nfs/dbraw/zinc/04/24/16/607042416.db2.gz ZETLZQHCUVYQHN-SRVKXCTJSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000820447468 607042417 /nfs/dbraw/zinc/04/24/17/607042417.db2.gz ZETLZQHCUVYQHN-SRVKXCTJSA-N -1 3 394.457 0.169 20 0 GCADHM CC(C)[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438634 607042482 /nfs/dbraw/zinc/04/24/82/607042482.db2.gz TYGZYKUBLDYICC-RYUDHWBXSA-N -1 3 380.474 0.942 20 0 GCADHM CC(C)[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438634 607042483 /nfs/dbraw/zinc/04/24/83/607042483.db2.gz TYGZYKUBLDYICC-RYUDHWBXSA-N -1 3 380.474 0.942 20 0 GCADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000821118760 607042538 /nfs/dbraw/zinc/04/25/38/607042538.db2.gz QJVZRGZJHAEERO-UHFFFAOYSA-N -1 3 386.372 0.048 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000820650557 607043269 /nfs/dbraw/zinc/04/32/69/607043269.db2.gz VRRGLBBHIINHFK-WOPDTQHZSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000820650557 607043271 /nfs/dbraw/zinc/04/32/71/607043271.db2.gz VRRGLBBHIINHFK-WOPDTQHZSA-N -1 3 378.458 0.790 20 0 GCADHM COC[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821684645 607043821 /nfs/dbraw/zinc/04/38/21/607043821.db2.gz GLOOIONSRNCMIE-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM COC[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821684645 607043822 /nfs/dbraw/zinc/04/38/22/607043822.db2.gz GLOOIONSRNCMIE-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C1CC1 ZINC000820447513 607044131 /nfs/dbraw/zinc/04/41/31/607044131.db2.gz ZLDYKFMVSCDDRJ-SNVBAGLBSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C1CC1 ZINC000820447513 607044132 /nfs/dbraw/zinc/04/41/32/607044132.db2.gz ZLDYKFMVSCDDRJ-SNVBAGLBSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)C1CC1 ZINC000820438881 607044253 /nfs/dbraw/zinc/04/42/53/607044253.db2.gz YOJJCOXSXRNQBU-SNVBAGLBSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)C1CC1 ZINC000820438881 607044255 /nfs/dbraw/zinc/04/42/55/607044255.db2.gz YOJJCOXSXRNQBU-SNVBAGLBSA-N -1 3 378.458 0.838 20 0 GCADHM COC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821682997 607044736 /nfs/dbraw/zinc/04/47/36/607044736.db2.gz SGURSGLYYHVWGZ-SMDDNHRTSA-N -1 3 396.473 0.321 20 0 GCADHM COC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821682997 607044738 /nfs/dbraw/zinc/04/47/38/607044738.db2.gz SGURSGLYYHVWGZ-SMDDNHRTSA-N -1 3 396.473 0.321 20 0 GCADHM COC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821682995 607044957 /nfs/dbraw/zinc/04/49/57/607044957.db2.gz SGURSGLYYHVWGZ-FZMZJTMJSA-N -1 3 396.473 0.321 20 0 GCADHM COC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821682995 607044959 /nfs/dbraw/zinc/04/49/59/607044959.db2.gz SGURSGLYYHVWGZ-FZMZJTMJSA-N -1 3 396.473 0.321 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000820437967 607046625 /nfs/dbraw/zinc/04/66/25/607046625.db2.gz FHOKJFRNDBINLP-HONMWMINSA-N -1 3 390.469 0.648 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000820437967 607046626 /nfs/dbraw/zinc/04/66/26/607046626.db2.gz FHOKJFRNDBINLP-HONMWMINSA-N -1 3 390.469 0.648 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc[nH]1 ZINC000820450157 607049541 /nfs/dbraw/zinc/04/95/41/607049541.db2.gz HMBUKZLULYEUAK-JTQLQIEISA-N -1 3 375.414 0.178 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc[nH]1 ZINC000820450157 607049542 /nfs/dbraw/zinc/04/95/42/607049542.db2.gz HMBUKZLULYEUAK-JTQLQIEISA-N -1 3 375.414 0.178 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCn1cccc1 ZINC000820449683 607049571 /nfs/dbraw/zinc/04/95/71/607049571.db2.gz AORRIDMJCSDRGN-GFCCVEGCSA-N -1 3 389.441 0.151 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCn1cccc1 ZINC000820449683 607049572 /nfs/dbraw/zinc/04/95/72/607049572.db2.gz AORRIDMJCSDRGN-GFCCVEGCSA-N -1 3 389.441 0.151 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)[C@H](O)c1cccnc1 ZINC000823346448 607049863 /nfs/dbraw/zinc/04/98/63/607049863.db2.gz NOMAMXMHCYLJTL-QGZVFWFLSA-N -1 3 395.423 0.895 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)[C@H](O)c1cccnc1 ZINC000823346448 607049865 /nfs/dbraw/zinc/04/98/65/607049865.db2.gz NOMAMXMHCYLJTL-QGZVFWFLSA-N -1 3 395.423 0.895 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)[C@@H](O)c1cccnc1 ZINC000823346429 607050023 /nfs/dbraw/zinc/05/00/23/607050023.db2.gz NOMAMXMHCYLJTL-KRWDZBQOSA-N -1 3 395.423 0.895 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)[C@@H](O)c1cccnc1 ZINC000823346429 607050025 /nfs/dbraw/zinc/05/00/25/607050025.db2.gz NOMAMXMHCYLJTL-KRWDZBQOSA-N -1 3 395.423 0.895 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000820528821 607051031 /nfs/dbraw/zinc/05/10/31/607051031.db2.gz OXYCPCPGDWBLLB-NSHDSACASA-N -1 3 379.442 0.575 20 0 GCADHM CC[C@@H](O)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820932578 607051176 /nfs/dbraw/zinc/05/11/76/607051176.db2.gz OYTGCXWAHLABJF-DGCLKSJQSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@@H](O)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820932578 607051177 /nfs/dbraw/zinc/05/11/77/607051177.db2.gz OYTGCXWAHLABJF-DGCLKSJQSA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821009415 607051846 /nfs/dbraw/zinc/05/18/46/607051846.db2.gz QYFYDJZGTPEYBK-ZBEGNZNMSA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821009415 607051848 /nfs/dbraw/zinc/05/18/48/607051848.db2.gz QYFYDJZGTPEYBK-ZBEGNZNMSA-N -1 3 396.473 0.201 20 0 GCADHM CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821675186 607053428 /nfs/dbraw/zinc/05/34/28/607053428.db2.gz FRGPHRKNHMZCDB-FZMZJTMJSA-N -1 3 396.473 0.321 20 0 GCADHM CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821675186 607053430 /nfs/dbraw/zinc/05/34/30/607053430.db2.gz FRGPHRKNHMZCDB-FZMZJTMJSA-N -1 3 396.473 0.321 20 0 GCADHM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821164288 607054906 /nfs/dbraw/zinc/05/49/06/607054906.db2.gz ALBDDUDAVROBEO-CYBMUJFWSA-N -1 3 396.448 0.131 20 0 GCADHM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821164288 607054907 /nfs/dbraw/zinc/05/49/07/607054907.db2.gz ALBDDUDAVROBEO-CYBMUJFWSA-N -1 3 396.448 0.131 20 0 GCADHM Cc1cncc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822399436 607055000 /nfs/dbraw/zinc/05/50/00/607055000.db2.gz HXUVDUBXTFZYIT-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cncc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822399436 607055001 /nfs/dbraw/zinc/05/50/01/607055001.db2.gz HXUVDUBXTFZYIT-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM O=C(NCCS(=O)(=O)CC1CC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823219093 607056817 /nfs/dbraw/zinc/05/68/17/607056817.db2.gz GDQYLKQMTOBTOP-UHFFFAOYSA-N -1 3 382.421 0.630 20 0 GCADHM O=C(NCCS(=O)(=O)CC1CC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823219093 607056819 /nfs/dbraw/zinc/05/68/19/607056819.db2.gz GDQYLKQMTOBTOP-UHFFFAOYSA-N -1 3 382.421 0.630 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(C(N)=O)nc1 ZINC000819996212 607059717 /nfs/dbraw/zinc/05/97/17/607059717.db2.gz BWCPNUUUQLAGJR-UHFFFAOYSA-N -1 3 381.396 0.834 20 0 GCADHM CC[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820980224 607060841 /nfs/dbraw/zinc/06/08/41/607060841.db2.gz LDRPJDMDMMEMDA-RYUDHWBXSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820980224 607060844 /nfs/dbraw/zinc/06/08/44/607060844.db2.gz LDRPJDMDMMEMDA-RYUDHWBXSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820902804 607060852 /nfs/dbraw/zinc/06/08/52/607060852.db2.gz NVVXRLFHVAADEJ-RYUDHWBXSA-N -1 3 396.473 0.058 20 0 GCADHM CC[C@@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820902804 607060854 /nfs/dbraw/zinc/06/08/54/607060854.db2.gz NVVXRLFHVAADEJ-RYUDHWBXSA-N -1 3 396.473 0.058 20 0 GCADHM CC(=O)N1CCCN([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C)CC1 ZINC000819796490 607062950 /nfs/dbraw/zinc/06/29/50/607062950.db2.gz KAROJMDBSLSEFX-SUMWQHHRSA-N -1 3 398.471 0.276 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820054544 607063032 /nfs/dbraw/zinc/06/30/32/607063032.db2.gz AZHNOIZOJCJKKR-WCQYABFASA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820054544 607063033 /nfs/dbraw/zinc/06/30/33/607063033.db2.gz AZHNOIZOJCJKKR-WCQYABFASA-N -1 3 396.473 0.057 20 0 GCADHM CCNC(=O)N1CC[C@H](NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821284635 607063325 /nfs/dbraw/zinc/06/33/25/607063325.db2.gz GKZBIXABHIAFJG-ZDUSSCGKSA-N -1 3 387.444 0.944 20 0 GCADHM CCNC(=O)N1CC[C@H](NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821284635 607063327 /nfs/dbraw/zinc/06/33/27/607063327.db2.gz GKZBIXABHIAFJG-ZDUSSCGKSA-N -1 3 387.444 0.944 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820056528 607063423 /nfs/dbraw/zinc/06/34/23/607063423.db2.gz QHZARXKBZDFERG-DGCLKSJQSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820056528 607063425 /nfs/dbraw/zinc/06/34/25/607063425.db2.gz QHZARXKBZDFERG-DGCLKSJQSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)[S@](C)=O ZINC000820241550 607064313 /nfs/dbraw/zinc/06/43/13/607064313.db2.gz GSKFSDFSOLJVNI-QWVSSGJLSA-N -1 3 391.501 0.855 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)[S@](C)=O ZINC000820241550 607064314 /nfs/dbraw/zinc/06/43/14/607064314.db2.gz GSKFSDFSOLJVNI-QWVSSGJLSA-N -1 3 391.501 0.855 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)[S@@](C)=O ZINC000820243198 607064759 /nfs/dbraw/zinc/06/47/59/607064759.db2.gz XZEMMKKPINRLPO-BIXPNRAVSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)[S@@](C)=O ZINC000820243198 607064761 /nfs/dbraw/zinc/06/47/61/607064761.db2.gz XZEMMKKPINRLPO-BIXPNRAVSA-N -1 3 392.489 0.250 20 0 GCADHM COCC1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000821683747 607073449 /nfs/dbraw/zinc/07/34/49/607073449.db2.gz JOFMKEGLKHINID-ZDUSSCGKSA-N -1 3 399.411 0.367 20 0 GCADHM COCC1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000821683747 607073451 /nfs/dbraw/zinc/07/34/51/607073451.db2.gz JOFMKEGLKHINID-ZDUSSCGKSA-N -1 3 399.411 0.367 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821932722 607079076 /nfs/dbraw/zinc/07/90/76/607079076.db2.gz QDIMETSXSIUTJD-ZDUSSCGKSA-N -1 3 383.405 0.863 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821932722 607079077 /nfs/dbraw/zinc/07/90/77/607079077.db2.gz QDIMETSXSIUTJD-ZDUSSCGKSA-N -1 3 383.405 0.863 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(F)(F)F ZINC000820443923 607079294 /nfs/dbraw/zinc/07/92/94/607079294.db2.gz BDGGLQFYBGWKSY-SSDOTTSWSA-N -1 3 379.320 0.639 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(F)(F)F ZINC000820443923 607079296 /nfs/dbraw/zinc/07/92/96/607079296.db2.gz BDGGLQFYBGWKSY-SSDOTTSWSA-N -1 3 379.320 0.639 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(F)(F)F ZINC000820451656 607079386 /nfs/dbraw/zinc/07/93/86/607079386.db2.gz WPDQADHCSYXLBA-SSDOTTSWSA-N -1 3 379.320 0.639 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(F)(F)F ZINC000820451656 607079387 /nfs/dbraw/zinc/07/93/87/607079387.db2.gz WPDQADHCSYXLBA-SSDOTTSWSA-N -1 3 379.320 0.639 20 0 GCADHM CC(C)OCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820146012 607079498 /nfs/dbraw/zinc/07/94/98/607079498.db2.gz IKSRPTNSVLNODG-NSHDSACASA-N -1 3 383.430 0.502 20 0 GCADHM CC(C)OCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820146012 607079499 /nfs/dbraw/zinc/07/94/99/607079499.db2.gz IKSRPTNSVLNODG-NSHDSACASA-N -1 3 383.430 0.502 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccccn1 ZINC000820451605 607079503 /nfs/dbraw/zinc/07/95/03/607079503.db2.gz WBZSIBHUYZZHFW-NSHDSACASA-N -1 3 388.409 0.672 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccccn1 ZINC000820451605 607079505 /nfs/dbraw/zinc/07/95/05/607079505.db2.gz WBZSIBHUYZZHFW-NSHDSACASA-N -1 3 388.409 0.672 20 0 GCADHM CC(C)OCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820146337 607079578 /nfs/dbraw/zinc/07/95/78/607079578.db2.gz KSTONDOKACNEJA-NSHDSACASA-N -1 3 383.430 0.502 20 0 GCADHM CC(C)OCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820146337 607079580 /nfs/dbraw/zinc/07/95/80/607079580.db2.gz KSTONDOKACNEJA-NSHDSACASA-N -1 3 383.430 0.502 20 0 GCADHM CCSCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821461667 607080036 /nfs/dbraw/zinc/08/00/36/607080036.db2.gz RDOCFNKAUBXFTQ-JTQLQIEISA-N -1 3 385.471 0.830 20 0 GCADHM CCSCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821461667 607080038 /nfs/dbraw/zinc/08/00/38/607080038.db2.gz RDOCFNKAUBXFTQ-JTQLQIEISA-N -1 3 385.471 0.830 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1nccs1 ZINC000820450233 607080914 /nfs/dbraw/zinc/08/09/14/607080914.db2.gz ICQIIHKKTZTFDZ-SECBINFHSA-N -1 3 394.438 0.733 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1nccs1 ZINC000820450233 607080916 /nfs/dbraw/zinc/08/09/16/607080916.db2.gz ICQIIHKKTZTFDZ-SECBINFHSA-N -1 3 394.438 0.733 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCOC1 ZINC000820452102 607080978 /nfs/dbraw/zinc/08/09/78/607080978.db2.gz ZPPPAMYWWPINFI-QWRGUYRKSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCOC1 ZINC000820452102 607080980 /nfs/dbraw/zinc/08/09/80/607080980.db2.gz ZPPPAMYWWPINFI-QWRGUYRKSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCCOC1 ZINC000820450017 607081221 /nfs/dbraw/zinc/08/12/21/607081221.db2.gz FZLTYOAMTFNVCQ-NWDGAFQWSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCCOC1 ZINC000820450017 607081222 /nfs/dbraw/zinc/08/12/22/607081222.db2.gz FZLTYOAMTFNVCQ-NWDGAFQWSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(C)COC1 ZINC000820444054 607081907 /nfs/dbraw/zinc/08/19/07/607081907.db2.gz FANHOIKIFHLPDI-SNVBAGLBSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(C)COC1 ZINC000820444054 607081909 /nfs/dbraw/zinc/08/19/09/607081909.db2.gz FANHOIKIFHLPDI-SNVBAGLBSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820467509 607085423 /nfs/dbraw/zinc/08/54/23/607085423.db2.gz ISAODYPNLPPECT-ZANVPECISA-N -1 3 379.392 0.961 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820467509 607085425 /nfs/dbraw/zinc/08/54/25/607085425.db2.gz ISAODYPNLPPECT-ZANVPECISA-N -1 3 379.392 0.961 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1CCOCC1 ZINC000820443939 607089941 /nfs/dbraw/zinc/08/99/41/607089941.db2.gz BLUBFICKJTYXNK-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1CCOCC1 ZINC000820443939 607089942 /nfs/dbraw/zinc/08/99/42/607089942.db2.gz BLUBFICKJTYXNK-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM CC(=O)CCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819782573 607090292 /nfs/dbraw/zinc/09/02/92/607090292.db2.gz ODACWCHDURGZBT-LLVKDONJSA-N -1 3 381.414 0.446 20 0 GCADHM CC(=O)CCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819782573 607090294 /nfs/dbraw/zinc/09/02/94/607090294.db2.gz ODACWCHDURGZBT-LLVKDONJSA-N -1 3 381.414 0.446 20 0 GCADHM O=C(NC[C@@H]1CCCS1(=O)=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823175212 607090376 /nfs/dbraw/zinc/09/03/76/607090376.db2.gz BZYDADGPCRLUIL-LSDHHAIUSA-N -1 3 390.469 0.529 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cnccn1 ZINC000820450572 607090903 /nfs/dbraw/zinc/09/09/03/607090903.db2.gz MWIWVPDCKKBARJ-SNVBAGLBSA-N -1 3 389.397 0.067 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cnccn1 ZINC000820450572 607090905 /nfs/dbraw/zinc/09/09/05/607090905.db2.gz MWIWVPDCKKBARJ-SNVBAGLBSA-N -1 3 389.397 0.067 20 0 GCADHM CCOCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821378385 607091222 /nfs/dbraw/zinc/09/12/22/607091222.db2.gz MUWQZJYALBOVMY-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM CCOCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821378385 607091223 /nfs/dbraw/zinc/09/12/23/607091223.db2.gz MUWQZJYALBOVMY-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM CCOCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821378107 607091492 /nfs/dbraw/zinc/09/14/92/607091492.db2.gz ISUIKMIHGCIUFD-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM CCOCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821378107 607091493 /nfs/dbraw/zinc/09/14/93/607091493.db2.gz ISUIKMIHGCIUFD-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM CCOCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821378106 607091675 /nfs/dbraw/zinc/09/16/75/607091675.db2.gz ISUIKMIHGCIUFD-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM CCOCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821378106 607091677 /nfs/dbraw/zinc/09/16/77/607091677.db2.gz ISUIKMIHGCIUFD-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC[C@@H]1CCCO1 ZINC000820451860 607091922 /nfs/dbraw/zinc/09/19/22/607091922.db2.gz XRELDTAPJSPBLP-AAEUAGOBSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC[C@@H]1CCCO1 ZINC000820451860 607091923 /nfs/dbraw/zinc/09/19/23/607091923.db2.gz XRELDTAPJSPBLP-AAEUAGOBSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCSC1 ZINC000820446008 607091955 /nfs/dbraw/zinc/09/19/55/607091955.db2.gz SWNSSJRSXPQEGJ-MNOVXSKESA-N -1 3 397.482 0.830 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCSC1 ZINC000820446008 607091956 /nfs/dbraw/zinc/09/19/56/607091956.db2.gz SWNSSJRSXPQEGJ-MNOVXSKESA-N -1 3 397.482 0.830 20 0 GCADHM C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1n1ccnc1 ZINC000820716638 607093100 /nfs/dbraw/zinc/09/31/00/607093100.db2.gz KBHFRSUYGHFMRF-CZUORRHYSA-N -1 3 394.439 0.903 20 0 GCADHM C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1n1ccnc1 ZINC000820716638 607093102 /nfs/dbraw/zinc/09/31/02/607093102.db2.gz KBHFRSUYGHFMRF-CZUORRHYSA-N -1 3 394.439 0.903 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821631296 607093524 /nfs/dbraw/zinc/09/35/24/607093524.db2.gz FBYNWZJLLDMNAW-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821631296 607093526 /nfs/dbraw/zinc/09/35/26/607093526.db2.gz FBYNWZJLLDMNAW-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000823332517 607094231 /nfs/dbraw/zinc/09/42/31/607094231.db2.gz OFWVLGDAYGKGTI-VIFPVBQESA-N -1 3 386.803 0.855 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000823332517 607094233 /nfs/dbraw/zinc/09/42/33/607094233.db2.gz OFWVLGDAYGKGTI-VIFPVBQESA-N -1 3 386.803 0.855 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821321188 607095318 /nfs/dbraw/zinc/09/53/18/607095318.db2.gz VYRKZAZWLPKAQT-SNVBAGLBSA-N -1 3 390.375 0.746 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821321188 607095319 /nfs/dbraw/zinc/09/53/19/607095319.db2.gz VYRKZAZWLPKAQT-SNVBAGLBSA-N -1 3 390.375 0.746 20 0 GCADHM O=C(NC[C@H]1CCCS1(=O)=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823175261 607096080 /nfs/dbraw/zinc/09/60/80/607096080.db2.gz DDKSJVNOZDZKNR-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(NC[C@H]1CCCS1(=O)=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823175261 607096081 /nfs/dbraw/zinc/09/60/81/607096081.db2.gz DDKSJVNOZDZKNR-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000823358789 607096378 /nfs/dbraw/zinc/09/63/78/607096378.db2.gz FHFSIJBWTVPZTH-LBPRGKRZSA-N -1 3 398.345 0.967 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000823358789 607096379 /nfs/dbraw/zinc/09/63/79/607096379.db2.gz FHFSIJBWTVPZTH-LBPRGKRZSA-N -1 3 398.345 0.967 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[C@@H](C)[S@@](C)=O ZINC000821400387 607096994 /nfs/dbraw/zinc/09/69/94/607096994.db2.gz IWTWKUCSGBZTMJ-GFVXYOJSSA-N -1 3 394.457 0.477 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[C@@H](C)[S@@](C)=O ZINC000821400387 607096995 /nfs/dbraw/zinc/09/69/95/607096995.db2.gz IWTWKUCSGBZTMJ-GFVXYOJSSA-N -1 3 394.457 0.477 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821640891 607101114 /nfs/dbraw/zinc/10/11/14/607101114.db2.gz REPJAUNYVXWMJY-ZDUSSCGKSA-N -1 3 377.401 0.671 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821640891 607101116 /nfs/dbraw/zinc/10/11/16/607101116.db2.gz REPJAUNYVXWMJY-ZDUSSCGKSA-N -1 3 377.401 0.671 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000821337154 607101409 /nfs/dbraw/zinc/10/14/09/607101409.db2.gz BMFJHOGALATTFE-CYBMUJFWSA-N -1 3 388.432 0.658 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000821337154 607101410 /nfs/dbraw/zinc/10/14/10/607101410.db2.gz BMFJHOGALATTFE-CYBMUJFWSA-N -1 3 388.432 0.658 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1cn(C)c(=O)n(C)c1=O ZINC000821294118 607101624 /nfs/dbraw/zinc/10/16/24/607101624.db2.gz SFBKLJOXGZVHFW-VURMDHGXSA-N -1 3 396.411 0.348 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1ncn2nccc2c1=O ZINC000821304474 607101900 /nfs/dbraw/zinc/10/19/00/607101900.db2.gz GWWVTEYSGFLQMK-UHFFFAOYSA-N -1 3 380.372 0.142 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000820032118 607102296 /nfs/dbraw/zinc/10/22/96/607102296.db2.gz LKHLAFNYKRVUCP-JSGCOSHPSA-N -1 3 399.411 0.033 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000820032118 607102298 /nfs/dbraw/zinc/10/22/98/607102298.db2.gz LKHLAFNYKRVUCP-JSGCOSHPSA-N -1 3 399.411 0.033 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000820032115 607102486 /nfs/dbraw/zinc/10/24/86/607102486.db2.gz LKHLAFNYKRVUCP-GXTWGEPZSA-N -1 3 399.411 0.033 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000820032115 607102488 /nfs/dbraw/zinc/10/24/88/607102488.db2.gz LKHLAFNYKRVUCP-GXTWGEPZSA-N -1 3 399.411 0.033 20 0 GCADHM NC(=O)NC(=O)C1CCC(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822874198 607110073 /nfs/dbraw/zinc/11/00/73/607110073.db2.gz UPHYFDCFTMYBQQ-UHFFFAOYSA-N -1 3 387.400 0.115 20 0 GCADHM COC(=O)[C@@]1(C)CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000821652368 607111303 /nfs/dbraw/zinc/11/13/03/607111303.db2.gz QTZQFAODTSOLFV-UGSOOPFHSA-N -1 3 384.396 0.384 20 0 GCADHM COC(=O)[C@]1(C)CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000821652367 607111484 /nfs/dbraw/zinc/11/14/84/607111484.db2.gz QTZQFAODTSOLFV-SCLBCKFNSA-N -1 3 384.396 0.384 20 0 GCADHM CS(=O)(=O)CCCCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821926206 607113190 /nfs/dbraw/zinc/11/31/90/607113190.db2.gz BTDZUNQMKNVTGD-UHFFFAOYSA-N -1 3 382.465 0.953 20 0 GCADHM CS(=O)(=O)CCCCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821926206 607113192 /nfs/dbraw/zinc/11/31/92/607113192.db2.gz BTDZUNQMKNVTGD-UHFFFAOYSA-N -1 3 382.465 0.953 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccno1 ZINC000820444846 607116126 /nfs/dbraw/zinc/11/61/26/607116126.db2.gz MHLMACPGNFHDDQ-VIFPVBQESA-N -1 3 378.370 0.265 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccno1 ZINC000820444846 607116127 /nfs/dbraw/zinc/11/61/27/607116127.db2.gz MHLMACPGNFHDDQ-VIFPVBQESA-N -1 3 378.370 0.265 20 0 GCADHM CCOC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821315258 607116492 /nfs/dbraw/zinc/11/64/92/607116492.db2.gz QZWFWVNOUBDDNQ-UWVGGRQHSA-N -1 3 397.413 0.028 20 0 GCADHM CCOC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821315258 607116494 /nfs/dbraw/zinc/11/64/94/607116494.db2.gz QZWFWVNOUBDDNQ-UWVGGRQHSA-N -1 3 397.413 0.028 20 0 GCADHM Cc1cnc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822394943 607116737 /nfs/dbraw/zinc/11/67/37/607116737.db2.gz LQTHHBQRUASOMU-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cnc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822394943 607116738 /nfs/dbraw/zinc/11/67/38/607116738.db2.gz LQTHHBQRUASOMU-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM O=C(COC(=O)CNC(=O)c1cccnc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823018037 607117001 /nfs/dbraw/zinc/11/70/01/607117001.db2.gz GOTZIKAMWOSTNF-UHFFFAOYSA-N -1 3 381.352 0.173 20 0 GCADHM O=C(COC(=O)CNC(=O)c1cccnc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823018037 607117004 /nfs/dbraw/zinc/11/70/04/607117004.db2.gz GOTZIKAMWOSTNF-UHFFFAOYSA-N -1 3 381.352 0.173 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)NC[C@@H]1CCCO1 ZINC000820001423 607117678 /nfs/dbraw/zinc/11/76/78/607117678.db2.gz LYEOKBNXHVYDGI-AWEZNQCLSA-N -1 3 389.412 0.863 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)NC[C@@H]1CCCO1 ZINC000820001423 607117680 /nfs/dbraw/zinc/11/76/80/607117680.db2.gz LYEOKBNXHVYDGI-AWEZNQCLSA-N -1 3 389.412 0.863 20 0 GCADHM CC(C)CC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820051258 607120443 /nfs/dbraw/zinc/12/04/43/607120443.db2.gz LVHBMOQQLBTVSY-LLVKDONJSA-N -1 3 395.441 0.692 20 0 GCADHM CC(C)CC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820051258 607120444 /nfs/dbraw/zinc/12/04/44/607120444.db2.gz LVHBMOQQLBTVSY-LLVKDONJSA-N -1 3 395.441 0.692 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccon1 ZINC000820449959 607120459 /nfs/dbraw/zinc/12/04/59/607120459.db2.gz FNLWBQYHDPRZDF-SECBINFHSA-N -1 3 378.370 0.265 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccon1 ZINC000820449959 607120461 /nfs/dbraw/zinc/12/04/61/607120461.db2.gz FNLWBQYHDPRZDF-SECBINFHSA-N -1 3 378.370 0.265 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)C(C)(C)C ZINC000820450663 607120821 /nfs/dbraw/zinc/12/08/21/607120821.db2.gz OFRILZNVSHRKGW-SNVBAGLBSA-N -1 3 395.441 0.692 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)C(C)(C)C ZINC000820450663 607120823 /nfs/dbraw/zinc/12/08/23/607120823.db2.gz OFRILZNVSHRKGW-SNVBAGLBSA-N -1 3 395.441 0.692 20 0 GCADHM C[C@@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000820233849 607123913 /nfs/dbraw/zinc/12/39/13/607123913.db2.gz LRVRGSXUZKXPLQ-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000820233849 607123914 /nfs/dbraw/zinc/12/39/14/607123914.db2.gz LRVRGSXUZKXPLQ-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM COC(=O)[C@H](OC(=O)Cn1c(C)cc(O)cc1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821648396 607132295 /nfs/dbraw/zinc/13/22/95/607132295.db2.gz JDQZVYCVPYHFNJ-MRXNPFEDSA-N -1 3 399.363 0.500 20 0 GCADHM COC(=O)[C@H](OC(=O)Cn1c(C)cc(O)cc1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821648396 607132296 /nfs/dbraw/zinc/13/22/96/607132296.db2.gz JDQZVYCVPYHFNJ-MRXNPFEDSA-N -1 3 399.363 0.500 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000820151408 607135372 /nfs/dbraw/zinc/13/53/72/607135372.db2.gz GRSZZTWNSDGWBC-RISCZKNCSA-N -1 3 389.416 0.808 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000820151408 607135374 /nfs/dbraw/zinc/13/53/74/607135374.db2.gz GRSZZTWNSDGWBC-RISCZKNCSA-N -1 3 389.416 0.808 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000821149518 607137521 /nfs/dbraw/zinc/13/75/21/607137521.db2.gz ZKVBLSYSVVGGKZ-PWSUYJOCSA-N -1 3 397.432 0.809 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000821149518 607137523 /nfs/dbraw/zinc/13/75/23/607137523.db2.gz ZKVBLSYSVVGGKZ-PWSUYJOCSA-N -1 3 397.432 0.809 20 0 GCADHM CNC(=O)[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000821631847 607139772 /nfs/dbraw/zinc/13/97/72/607139772.db2.gz VSAKNEOAQSYOMB-INIZCTEOSA-N -1 3 384.371 0.988 20 0 GCADHM CNC(=O)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000821631847 607139773 /nfs/dbraw/zinc/13/97/73/607139773.db2.gz VSAKNEOAQSYOMB-INIZCTEOSA-N -1 3 384.371 0.988 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000821651968 607140531 /nfs/dbraw/zinc/14/05/31/607140531.db2.gz JXXWNFBSEVBSFJ-SFHVURJKSA-N -1 3 396.411 0.660 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000821651968 607140533 /nfs/dbraw/zinc/14/05/33/607140533.db2.gz JXXWNFBSEVBSFJ-SFHVURJKSA-N -1 3 396.411 0.660 20 0 GCADHM CCOc1ccnc(N2CCCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)n1 ZINC000821438093 607140995 /nfs/dbraw/zinc/14/09/95/607140995.db2.gz SOBRMNAHOKMEDW-UHFFFAOYSA-N -1 3 397.443 0.746 20 0 GCADHM CCOc1ccnc(N2CCCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)n1 ZINC000821438093 607140996 /nfs/dbraw/zinc/14/09/96/607140996.db2.gz SOBRMNAHOKMEDW-UHFFFAOYSA-N -1 3 397.443 0.746 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)c(C)n1 ZINC000821831885 607141470 /nfs/dbraw/zinc/14/14/70/607141470.db2.gz QXLWUMYFSWNPRZ-UHFFFAOYSA-N -1 3 397.399 0.141 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)c(C)n1 ZINC000821831885 607141472 /nfs/dbraw/zinc/14/14/72/607141472.db2.gz QXLWUMYFSWNPRZ-UHFFFAOYSA-N -1 3 397.399 0.141 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821651809 607142566 /nfs/dbraw/zinc/14/25/66/607142566.db2.gz GSOZZPJFKJVTFM-INIZCTEOSA-N -1 3 376.348 0.356 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821651809 607142569 /nfs/dbraw/zinc/14/25/69/607142569.db2.gz GSOZZPJFKJVTFM-INIZCTEOSA-N -1 3 376.348 0.356 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000821651565 607142646 /nfs/dbraw/zinc/14/26/46/607142646.db2.gz BLWKZYSBEBHMCU-INIZCTEOSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000821651565 607142648 /nfs/dbraw/zinc/14/26/48/607142648.db2.gz BLWKZYSBEBHMCU-INIZCTEOSA-N -1 3 392.803 0.870 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821367794 607144086 /nfs/dbraw/zinc/14/40/86/607144086.db2.gz NDLROSUNXSQOJC-DGCLKSJQSA-N -1 3 377.401 0.671 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821367794 607144088 /nfs/dbraw/zinc/14/40/88/607144088.db2.gz NDLROSUNXSQOJC-DGCLKSJQSA-N -1 3 377.401 0.671 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCS[C@H]2COCC[C@H]21 ZINC000823599979 607146340 /nfs/dbraw/zinc/14/63/40/607146340.db2.gz BJKVKRGLZRZYOY-NEPJUHHUSA-N -1 3 385.446 0.901 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCS[C@H]2COCC[C@H]21 ZINC000823599979 607146342 /nfs/dbraw/zinc/14/63/42/607146342.db2.gz BJKVKRGLZRZYOY-NEPJUHHUSA-N -1 3 385.446 0.901 20 0 GCADHM O=S(=O)(CCN1CCS[C@H]2COCC[C@@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823561888 607150960 /nfs/dbraw/zinc/15/09/60/607150960.db2.gz LKQSTRSWRGETNI-GJZGRUSLSA-N -1 3 395.510 0.847 20 0 GCADHM O=S(=O)(CCN1CCS[C@H]2COCC[C@@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823561888 607150962 /nfs/dbraw/zinc/15/09/62/607150962.db2.gz LKQSTRSWRGETNI-GJZGRUSLSA-N -1 3 395.510 0.847 20 0 GCADHM O=c1c(Br)cncn1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823657787 607153183 /nfs/dbraw/zinc/15/31/83/607153183.db2.gz URTNWPBQPMTQSQ-JTQLQIEISA-N -1 3 393.201 0.626 20 0 GCADHM Cc1cc(C[C@H](C)NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)[nH]n1 ZINC000822199714 607155205 /nfs/dbraw/zinc/15/52/05/607155205.db2.gz FKPKHPZJJAVLTN-LBPRGKRZSA-N -1 3 396.459 0.756 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)sn1 ZINC000822207424 607158462 /nfs/dbraw/zinc/15/84/62/607158462.db2.gz WBEHUWNFRXHRAA-SECBINFHSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)sn1 ZINC000822207424 607158464 /nfs/dbraw/zinc/15/84/64/607158464.db2.gz WBEHUWNFRXHRAA-SECBINFHSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1nn(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)c(N)c1-c1nnn[n-]1 ZINC000822497077 607160069 /nfs/dbraw/zinc/16/00/69/607160069.db2.gz XROIAGRSFLNYKD-QMMMGPOBSA-N -1 3 376.371 0.979 20 0 GCADHM Cc1nn(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)c(N)c1-c1nn[n-]n1 ZINC000822497077 607160070 /nfs/dbraw/zinc/16/00/70/607160070.db2.gz XROIAGRSFLNYKD-QMMMGPOBSA-N -1 3 376.371 0.979 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821684628 607166294 /nfs/dbraw/zinc/16/62/94/607166294.db2.gz FYGBCXZGCXOHMA-UHFFFAOYSA-N -1 3 394.382 0.902 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821684628 607166296 /nfs/dbraw/zinc/16/62/96/607166296.db2.gz FYGBCXZGCXOHMA-UHFFFAOYSA-N -1 3 394.382 0.902 20 0 GCADHM CCc1nnc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n1N ZINC000821548740 607169623 /nfs/dbraw/zinc/16/96/23/607169623.db2.gz WJMAREXDBHAHQU-MRVPVSSYSA-N -1 3 377.459 0.694 20 0 GCADHM CCc1nnc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n1N ZINC000821548740 607169624 /nfs/dbraw/zinc/16/96/24/607169624.db2.gz WJMAREXDBHAHQU-MRVPVSSYSA-N -1 3 377.459 0.694 20 0 GCADHM COCCC1(CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC1 ZINC000821686194 607173782 /nfs/dbraw/zinc/17/37/82/607173782.db2.gz DXXVPJIIPJBLCB-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM COCCC1(CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC1 ZINC000821686194 607173783 /nfs/dbraw/zinc/17/37/83/607173783.db2.gz DXXVPJIIPJBLCB-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM O=C1NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cc3C(F)(F)F)CCN2C1=O ZINC000823547556 607173915 /nfs/dbraw/zinc/17/39/15/607173915.db2.gz KAPCIPHWUNHSAT-VIFPVBQESA-N -1 3 381.318 0.033 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820814151 607181665 /nfs/dbraw/zinc/18/16/65/607181665.db2.gz SALGFVJRRHAVJY-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820814151 607181666 /nfs/dbraw/zinc/18/16/66/607181666.db2.gz SALGFVJRRHAVJY-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM COCCOCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821692757 607182716 /nfs/dbraw/zinc/18/27/16/607182716.db2.gz AQIVSMQWLSQRKF-UHFFFAOYSA-N -1 3 382.808 0.628 20 0 GCADHM COCCOCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821692757 607182717 /nfs/dbraw/zinc/18/27/17/607182717.db2.gz AQIVSMQWLSQRKF-UHFFFAOYSA-N -1 3 382.808 0.628 20 0 GCADHM COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821685714 607182841 /nfs/dbraw/zinc/18/28/41/607182841.db2.gz NKMWXWMDQKPMMW-HNNXBMFYSA-N -1 3 382.808 0.362 20 0 GCADHM COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821685714 607182842 /nfs/dbraw/zinc/18/28/42/607182842.db2.gz NKMWXWMDQKPMMW-HNNXBMFYSA-N -1 3 382.808 0.362 20 0 GCADHM CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821315773 607183311 /nfs/dbraw/zinc/18/33/11/607183311.db2.gz XEKOMCDDIXCRDN-MRVPVSSYSA-N -1 3 380.792 0.774 20 0 GCADHM CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821315773 607183312 /nfs/dbraw/zinc/18/33/12/607183312.db2.gz XEKOMCDDIXCRDN-MRVPVSSYSA-N -1 3 380.792 0.774 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000823314139 607183616 /nfs/dbraw/zinc/18/36/16/607183616.db2.gz MPZLOUKNTHKYQZ-SECBINFHSA-N -1 3 387.791 0.181 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000823314139 607183617 /nfs/dbraw/zinc/18/36/17/607183617.db2.gz MPZLOUKNTHKYQZ-SECBINFHSA-N -1 3 387.791 0.181 20 0 GCADHM CSC[C@H](CCO)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821956056 607187261 /nfs/dbraw/zinc/18/72/61/607187261.db2.gz GGCIVAWBSSTQBM-NSHDSACASA-N -1 3 388.457 0.478 20 0 GCADHM CSC[C@H](CCO)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821956056 607187262 /nfs/dbraw/zinc/18/72/62/607187262.db2.gz GGCIVAWBSSTQBM-NSHDSACASA-N -1 3 388.457 0.478 20 0 GCADHM Cn1ccc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cc1=O ZINC000822685289 607188431 /nfs/dbraw/zinc/18/84/31/607188431.db2.gz WVYGGCXZIDDZIB-UHFFFAOYSA-N -1 3 376.380 0.886 20 0 GCADHM Cn1ccc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cc1=O ZINC000822685289 607188432 /nfs/dbraw/zinc/18/84/32/607188432.db2.gz WVYGGCXZIDDZIB-UHFFFAOYSA-N -1 3 376.380 0.886 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCc1cncnc1N ZINC000821701475 607192691 /nfs/dbraw/zinc/19/26/91/607192691.db2.gz PSPVLPSFSIWSGD-UHFFFAOYSA-N -1 3 384.400 0.723 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCc1cncnc1N ZINC000821701475 607192692 /nfs/dbraw/zinc/19/26/92/607192692.db2.gz PSPVLPSFSIWSGD-UHFFFAOYSA-N -1 3 384.400 0.723 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000819891873 607195138 /nfs/dbraw/zinc/19/51/38/607195138.db2.gz JLWJSHGWJZBOLQ-UHFFFAOYSA-N -1 3 392.851 0.934 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000819891873 607195139 /nfs/dbraw/zinc/19/51/39/607195139.db2.gz JLWJSHGWJZBOLQ-UHFFFAOYSA-N -1 3 392.851 0.934 20 0 GCADHM CN(C)C(=O)COC1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821578232 607200788 /nfs/dbraw/zinc/20/07/88/607200788.db2.gz ULUJUUJMRAGVDX-UHFFFAOYSA-N -1 3 379.808 0.841 20 0 GCADHM CN(C)C(=O)COC1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821578232 607200789 /nfs/dbraw/zinc/20/07/89/607200789.db2.gz ULUJUUJMRAGVDX-UHFFFAOYSA-N -1 3 379.808 0.841 20 0 GCADHM COCCc1cc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000821694239 607204680 /nfs/dbraw/zinc/20/46/80/607204680.db2.gz DMHKNVUXNMAZJS-UHFFFAOYSA-N -1 3 386.416 0.990 20 0 GCADHM COc1ccc([C@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)N2CCCC2)cc1 ZINC000821778234 607205069 /nfs/dbraw/zinc/20/50/69/607205069.db2.gz XCCUHSHQVXBBLK-HNNXBMFYSA-N -1 3 397.443 0.420 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000823536106 607205420 /nfs/dbraw/zinc/20/54/20/607205420.db2.gz RRQPSDNRLQYXNT-QWHCGFSZSA-N -1 3 385.432 0.126 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000823536106 607205421 /nfs/dbraw/zinc/20/54/21/607205421.db2.gz RRQPSDNRLQYXNT-QWHCGFSZSA-N -1 3 385.432 0.126 20 0 GCADHM CCN(CC)[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccsc1 ZINC000821181169 607208136 /nfs/dbraw/zinc/20/81/36/607208136.db2.gz KLVVRIIHLYHZKY-LBPRGKRZSA-N -1 3 375.462 0.719 20 0 GCADHM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000821571807 607220771 /nfs/dbraw/zinc/22/07/71/607220771.db2.gz GGBWTSVBSWHHEW-OAHLLOKOSA-N -1 3 381.444 0.581 20 0 GCADHM O=C(Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1)NCCO ZINC000823082818 607222355 /nfs/dbraw/zinc/22/23/55/607222355.db2.gz RNYVOTHLNFGUKN-UHFFFAOYSA-N -1 3 380.408 0.699 20 0 GCADHM O=C(Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1)NCCO ZINC000823082818 607222356 /nfs/dbraw/zinc/22/23/56/607222356.db2.gz RNYVOTHLNFGUKN-UHFFFAOYSA-N -1 3 380.408 0.699 20 0 GCADHM CN(C)c1nc(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)ns1 ZINC000821590805 607227884 /nfs/dbraw/zinc/22/78/84/607227884.db2.gz GNIRJGSWTRWQLW-INIZCTEOSA-N -1 3 399.440 0.751 20 0 GCADHM CN(C)c1nc(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)ns1 ZINC000821590805 607227885 /nfs/dbraw/zinc/22/78/85/607227885.db2.gz GNIRJGSWTRWQLW-INIZCTEOSA-N -1 3 399.440 0.751 20 0 GCADHM Cn1c(Cl)ncc1S(=O)(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822605051 607228950 /nfs/dbraw/zinc/22/89/50/607228950.db2.gz WKCUFUMZIGYSET-UHFFFAOYSA-N -1 3 383.825 0.039 20 0 GCADHM Cn1c(Cl)ncc1S(=O)(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822605051 607228951 /nfs/dbraw/zinc/22/89/51/607228951.db2.gz WKCUFUMZIGYSET-UHFFFAOYSA-N -1 3 383.825 0.039 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000820541427 607234842 /nfs/dbraw/zinc/23/48/42/607234842.db2.gz FPNOPYMNIQSYDT-NWDGAFQWSA-N -1 3 394.457 0.304 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000820541427 607234843 /nfs/dbraw/zinc/23/48/43/607234843.db2.gz FPNOPYMNIQSYDT-NWDGAFQWSA-N -1 3 394.457 0.304 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000820526716 607235041 /nfs/dbraw/zinc/23/50/41/607235041.db2.gz JPAUDCLUTRPRPG-YPMHNXCESA-N -1 3 394.457 0.304 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822895352 607235352 /nfs/dbraw/zinc/23/53/52/607235352.db2.gz PGNVCVXFIFYQBX-MMQHEFTJSA-N -1 3 376.442 0.550 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822895352 607235353 /nfs/dbraw/zinc/23/53/53/607235353.db2.gz PGNVCVXFIFYQBX-MMQHEFTJSA-N -1 3 376.442 0.550 20 0 GCADHM CCS(=O)(=O)N1CCC[C@@H](C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821441374 607246835 /nfs/dbraw/zinc/24/68/35/607246835.db2.gz LAMDYTSDYVYVPN-LLVKDONJSA-N -1 3 383.405 0.973 20 0 GCADHM CCS(=O)(=O)N1CCC[C@@H](C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821441374 607246836 /nfs/dbraw/zinc/24/68/36/607246836.db2.gz LAMDYTSDYVYVPN-LLVKDONJSA-N -1 3 383.405 0.973 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)Cc1ccccc1OC ZINC000826104024 607772479 /nfs/dbraw/zinc/77/24/79/607772479.db2.gz NZHVROXIXYIJFF-GFCCVEGCSA-N -1 3 384.396 0.965 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)Cc1ccccc1OC ZINC000826104024 607772480 /nfs/dbraw/zinc/77/24/80/607772480.db2.gz NZHVROXIXYIJFF-GFCCVEGCSA-N -1 3 384.396 0.965 20 0 GCADHM O=C(NCc1cc[nH]n1)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826440717 607772645 /nfs/dbraw/zinc/77/26/45/607772645.db2.gz YDQURVSSJLTQEM-UHFFFAOYSA-N -1 3 395.408 0.968 20 0 GCADHM O=C(NCc1cc[nH]n1)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826440717 607772646 /nfs/dbraw/zinc/77/26/46/607772646.db2.gz YDQURVSSJLTQEM-UHFFFAOYSA-N -1 3 395.408 0.968 20 0 GCADHM C[C@H](CCO)NC(=O)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824406068 607773400 /nfs/dbraw/zinc/77/34/00/607773400.db2.gz CCJMGJNHNBCPJG-SECBINFHSA-N -1 3 387.425 0.816 20 0 GCADHM C[C@H](CCO)NC(=O)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824406068 607773401 /nfs/dbraw/zinc/77/34/01/607773401.db2.gz CCJMGJNHNBCPJG-SECBINFHSA-N -1 3 387.425 0.816 20 0 GCADHM Cc1ncc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826330392 607774028 /nfs/dbraw/zinc/77/40/28/607774028.db2.gz SGMNELGMTITBDF-MRVPVSSYSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1ncc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826330392 607774029 /nfs/dbraw/zinc/77/40/29/607774029.db2.gz SGMNELGMTITBDF-MRVPVSSYSA-N -1 3 393.454 0.937 20 0 GCADHM CN(C)c1ncc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cn1 ZINC000825884323 607775149 /nfs/dbraw/zinc/77/51/49/607775149.db2.gz ZJUHAFJUCHDRNM-UHFFFAOYSA-N -1 3 391.399 0.743 20 0 GCADHM CN(C)c1ncc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cn1 ZINC000825884323 607775150 /nfs/dbraw/zinc/77/51/50/607775150.db2.gz ZJUHAFJUCHDRNM-UHFFFAOYSA-N -1 3 391.399 0.743 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C)CCOCC1 ZINC000824633457 607775502 /nfs/dbraw/zinc/77/55/02/607775502.db2.gz NXYNFBNIEAPVDO-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C)CCOCC1 ZINC000824633457 607775503 /nfs/dbraw/zinc/77/55/03/607775503.db2.gz NXYNFBNIEAPVDO-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM O=C(NCCN1CCC1)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826437593 607775711 /nfs/dbraw/zinc/77/57/11/607775711.db2.gz SKTKSOUHOGQROT-UHFFFAOYSA-N -1 3 398.452 0.751 20 0 GCADHM O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826434499 607776136 /nfs/dbraw/zinc/77/61/36/607776136.db2.gz ONZWUYGFEOWKBE-IBGZPJMESA-N -1 3 396.382 0.895 20 0 GCADHM O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826434499 607776137 /nfs/dbraw/zinc/77/61/37/607776137.db2.gz ONZWUYGFEOWKBE-IBGZPJMESA-N -1 3 396.382 0.895 20 0 GCADHM O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826434814 607776317 /nfs/dbraw/zinc/77/63/17/607776317.db2.gz YJZCCJRUKHZPGM-IBGZPJMESA-N -1 3 396.382 0.895 20 0 GCADHM O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826434814 607776318 /nfs/dbraw/zinc/77/63/18/607776318.db2.gz YJZCCJRUKHZPGM-IBGZPJMESA-N -1 3 396.382 0.895 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826433128 607781094 /nfs/dbraw/zinc/78/10/94/607781094.db2.gz VTDNFSXSJQFOKA-CYBMUJFWSA-N -1 3 395.427 0.127 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826433128 607781095 /nfs/dbraw/zinc/78/10/95/607781095.db2.gz VTDNFSXSJQFOKA-CYBMUJFWSA-N -1 3 395.427 0.127 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826438276 607781762 /nfs/dbraw/zinc/78/17/62/607781762.db2.gz WCAFTTAUBHDKFX-CYBMUJFWSA-N -1 3 397.447 0.387 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826438276 607781763 /nfs/dbraw/zinc/78/17/63/607781763.db2.gz WCAFTTAUBHDKFX-CYBMUJFWSA-N -1 3 397.447 0.387 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@]1(O)CCc2ccccc21 ZINC000826411900 607781771 /nfs/dbraw/zinc/78/17/71/607781771.db2.gz RNNXUHPETFUBLB-FQEVSTJZSA-N -1 3 392.419 0.547 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@]1(O)CCc2ccccc21 ZINC000826411900 607781772 /nfs/dbraw/zinc/78/17/72/607781772.db2.gz RNNXUHPETFUBLB-FQEVSTJZSA-N -1 3 392.419 0.547 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)o1 ZINC000825830513 607788394 /nfs/dbraw/zinc/78/83/94/607788394.db2.gz TWEJRRGOMBLLEZ-UHFFFAOYSA-N -1 3 376.398 0.987 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)o1 ZINC000825830513 607788395 /nfs/dbraw/zinc/78/83/95/607788395.db2.gz TWEJRRGOMBLLEZ-UHFFFAOYSA-N -1 3 376.398 0.987 20 0 GCADHM NC(=O)c1ccc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)nc1 ZINC000826392674 607792696 /nfs/dbraw/zinc/79/26/96/607792696.db2.gz IEWVQZXXKZZHJI-UHFFFAOYSA-N -1 3 389.379 0.681 20 0 GCADHM NC(=O)c1ccc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)nc1 ZINC000826392674 607792697 /nfs/dbraw/zinc/79/26/97/607792697.db2.gz IEWVQZXXKZZHJI-UHFFFAOYSA-N -1 3 389.379 0.681 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC(Cn2ccnn2)CC1 ZINC000826437792 607793432 /nfs/dbraw/zinc/79/34/32/607793432.db2.gz BHZDEOIKBCCPHV-UHFFFAOYSA-N -1 3 397.447 0.387 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC(Cn2ccnn2)CC1 ZINC000826437792 607793433 /nfs/dbraw/zinc/79/34/33/607793433.db2.gz BHZDEOIKBCCPHV-UHFFFAOYSA-N -1 3 397.447 0.387 20 0 GCADHM C[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824500693 607793675 /nfs/dbraw/zinc/79/36/75/607793675.db2.gz ZFSONZLXZOPDCJ-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824500693 607793676 /nfs/dbraw/zinc/79/36/76/607793676.db2.gz ZFSONZLXZOPDCJ-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498396 607793714 /nfs/dbraw/zinc/79/37/14/607793714.db2.gz GOBJQXBSMKWZKW-NEPJUHHUSA-N -1 3 393.473 0.508 20 0 GCADHM C[C@@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498396 607793715 /nfs/dbraw/zinc/79/37/15/607793715.db2.gz GOBJQXBSMKWZKW-NEPJUHHUSA-N -1 3 393.473 0.508 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826223178 607794538 /nfs/dbraw/zinc/79/45/38/607794538.db2.gz DECXHDHYMDIGGP-ZHRWSRJISA-N -1 3 376.442 0.278 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000826223178 607794539 /nfs/dbraw/zinc/79/45/39/607794539.db2.gz DECXHDHYMDIGGP-ZHRWSRJISA-N -1 3 376.442 0.278 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000824738265 607795119 /nfs/dbraw/zinc/79/51/19/607795119.db2.gz ODUHHTKLYKWUPG-DGCLKSJQSA-N -1 3 394.457 0.174 20 0 GCADHM CCS(=O)(=O)NCCCN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825663380 607795854 /nfs/dbraw/zinc/79/58/54/607795854.db2.gz MUMIFLUNLLBXRG-UHFFFAOYSA-N -1 3 397.480 0.457 20 0 GCADHM CCN(CCS(C)(=O)=O)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825424832 607797732 /nfs/dbraw/zinc/79/77/32/607797732.db2.gz RRNJAEOEQJSBMH-UHFFFAOYSA-N -1 3 381.458 0.917 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000824745215 607801457 /nfs/dbraw/zinc/80/14/57/607801457.db2.gz OWRJQFISDPPXTK-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000824745215 607801458 /nfs/dbraw/zinc/80/14/58/607801458.db2.gz OWRJQFISDPPXTK-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000824745912 607801828 /nfs/dbraw/zinc/80/18/28/607801828.db2.gz UEMXVUSFIHUGPR-GFCCVEGCSA-N -1 3 381.458 0.916 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000824745912 607801829 /nfs/dbraw/zinc/80/18/29/607801829.db2.gz UEMXVUSFIHUGPR-GFCCVEGCSA-N -1 3 381.458 0.916 20 0 GCADHM CS(=O)(=O)CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C1CC1 ZINC000826222610 607802282 /nfs/dbraw/zinc/80/22/82/607802282.db2.gz DQHXAMVMYXCUEB-UHFFFAOYSA-N -1 3 389.441 0.926 20 0 GCADHM CS(=O)(=O)CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C1CC1 ZINC000826222610 607802283 /nfs/dbraw/zinc/80/22/83/607802283.db2.gz DQHXAMVMYXCUEB-UHFFFAOYSA-N -1 3 389.441 0.926 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)cccc1-c1nnn[n-]1 ZINC000826241124 607805494 /nfs/dbraw/zinc/80/54/94/607805494.db2.gz RZMGJHPHTAMKEG-ZDUSSCGKSA-N -1 3 392.423 0.904 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)cccc1-c1nn[n-]n1 ZINC000826241124 607805495 /nfs/dbraw/zinc/80/54/95/607805495.db2.gz RZMGJHPHTAMKEG-ZDUSSCGKSA-N -1 3 392.423 0.904 20 0 GCADHM CC(C)(C)OC(=O)N(CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)C1CC1 ZINC000824099822 607805862 /nfs/dbraw/zinc/80/58/62/607805862.db2.gz JFSRGVRJLGOKSL-UHFFFAOYSA-N -1 3 392.420 0.588 20 0 GCADHM CC(C)(C)OC(=O)N(CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)C1CC1 ZINC000824099822 607805863 /nfs/dbraw/zinc/80/58/63/607805863.db2.gz JFSRGVRJLGOKSL-UHFFFAOYSA-N -1 3 392.420 0.588 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826453098 607805971 /nfs/dbraw/zinc/80/59/71/607805971.db2.gz VRSBDACFLVFUDQ-UHFFFAOYSA-N -1 3 399.390 0.475 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826453098 607805972 /nfs/dbraw/zinc/80/59/72/607805972.db2.gz VRSBDACFLVFUDQ-UHFFFAOYSA-N -1 3 399.390 0.475 20 0 GCADHM CCc1nnc(NC[C@H]2CCN(S(C)(=O)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000825767245 607809315 /nfs/dbraw/zinc/80/93/15/607809315.db2.gz HYEILHOTZHQVBJ-SNVBAGLBSA-N -1 3 380.478 0.475 20 0 GCADHM CCc1nnc(NC[C@H]2CCN(S(C)(=O)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000825767245 607809316 /nfs/dbraw/zinc/80/93/16/607809316.db2.gz HYEILHOTZHQVBJ-SNVBAGLBSA-N -1 3 380.478 0.475 20 0 GCADHM CCc1nnc(NC[C@H]2CCCN2S(C)(=O)=O)c(-c2nnn[n-]2)c1CC ZINC000825771948 607810404 /nfs/dbraw/zinc/81/04/04/607810404.db2.gz WFVOKDAWBWHGRK-SNVBAGLBSA-N -1 3 380.478 0.617 20 0 GCADHM CCc1nnc(NC[C@H]2CCCN2S(C)(=O)=O)c(-c2nn[n-]n2)c1CC ZINC000825771948 607810405 /nfs/dbraw/zinc/81/04/05/607810405.db2.gz WFVOKDAWBWHGRK-SNVBAGLBSA-N -1 3 380.478 0.617 20 0 GCADHM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826222550 607811762 /nfs/dbraw/zinc/81/17/62/607811762.db2.gz AITURKHQALCEOR-UHFFFAOYSA-N -1 3 389.434 0.204 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826486753 607812228 /nfs/dbraw/zinc/81/22/28/607812228.db2.gz PFSMJYAOTQAJEX-HNNXBMFYSA-N -1 3 385.453 0.960 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826486753 607812229 /nfs/dbraw/zinc/81/22/29/607812229.db2.gz PFSMJYAOTQAJEX-HNNXBMFYSA-N -1 3 385.453 0.960 20 0 GCADHM NC(=O)COc1cccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826391391 607814250 /nfs/dbraw/zinc/81/42/50/607814250.db2.gz JIMYQPACJNXMLW-UHFFFAOYSA-N -1 3 382.380 0.426 20 0 GCADHM NC(=O)COc1cccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826391391 607814251 /nfs/dbraw/zinc/81/42/51/607814251.db2.gz JIMYQPACJNXMLW-UHFFFAOYSA-N -1 3 382.380 0.426 20 0 GCADHM CC(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824242829 607814355 /nfs/dbraw/zinc/81/43/55/607814355.db2.gz BWEVSCBBPBFFDW-ZDUSSCGKSA-N -1 3 392.441 0.607 20 0 GCADHM CC(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824242829 607814356 /nfs/dbraw/zinc/81/43/56/607814356.db2.gz BWEVSCBBPBFFDW-ZDUSSCGKSA-N -1 3 392.441 0.607 20 0 GCADHM O=C1c2ccccc2C(=O)N1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826483617 607814889 /nfs/dbraw/zinc/81/48/89/607814889.db2.gz UCTHREGLSISFKW-UHFFFAOYSA-N -1 3 383.389 0.937 20 0 GCADHM O=C1c2ccccc2C(=O)N1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826483617 607814890 /nfs/dbraw/zinc/81/48/90/607814890.db2.gz UCTHREGLSISFKW-UHFFFAOYSA-N -1 3 383.389 0.937 20 0 GCADHM O=C(C1CC1)N1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826398134 607814924 /nfs/dbraw/zinc/81/49/24/607814924.db2.gz QWAQBLVOYDAOFU-UHFFFAOYSA-N -1 3 390.469 0.195 20 0 GCADHM O=C(C1CC1)N1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826398134 607814925 /nfs/dbraw/zinc/81/49/25/607814925.db2.gz QWAQBLVOYDAOFU-UHFFFAOYSA-N -1 3 390.469 0.195 20 0 GCADHM CCCC[C@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825267135 607815306 /nfs/dbraw/zinc/81/53/06/607815306.db2.gz IUHGJWPDKIJZHH-CYBMUJFWSA-N -1 3 392.441 0.751 20 0 GCADHM CCCC[C@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825267135 607815307 /nfs/dbraw/zinc/81/53/07/607815307.db2.gz IUHGJWPDKIJZHH-CYBMUJFWSA-N -1 3 392.441 0.751 20 0 GCADHM Cn1c(CO)cnc1SCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826355053 607817081 /nfs/dbraw/zinc/81/70/81/607817081.db2.gz IBZKNKGPDVHORQ-UHFFFAOYSA-N -1 3 380.455 0.659 20 0 GCADHM Cn1c(CO)cnc1SCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826355053 607817082 /nfs/dbraw/zinc/81/70/82/607817082.db2.gz IBZKNKGPDVHORQ-UHFFFAOYSA-N -1 3 380.455 0.659 20 0 GCADHM C[C@H]1COCCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C1 ZINC000825006850 607817659 /nfs/dbraw/zinc/81/76/59/607817659.db2.gz QVUQPIMXZGZJTJ-CYBMUJFWSA-N -1 3 385.428 0.557 20 0 GCADHM C[C@H]1COCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000825006850 607817660 /nfs/dbraw/zinc/81/76/60/607817660.db2.gz QVUQPIMXZGZJTJ-CYBMUJFWSA-N -1 3 385.428 0.557 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826437839 607823041 /nfs/dbraw/zinc/82/30/41/607823041.db2.gz CTQQHINCUCQVFR-BPLDGKMQSA-N -1 3 384.444 0.930 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826437839 607823042 /nfs/dbraw/zinc/82/30/42/607823042.db2.gz CTQQHINCUCQVFR-BPLDGKMQSA-N -1 3 384.444 0.930 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOC[C@H](C)C1 ZINC000825006024 607825661 /nfs/dbraw/zinc/82/56/61/607825661.db2.gz FOEWWCGBMJFZJG-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOC[C@H](C)C1 ZINC000825006024 607825662 /nfs/dbraw/zinc/82/56/62/607825662.db2.gz FOEWWCGBMJFZJG-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826175583 607825773 /nfs/dbraw/zinc/82/57/73/607825773.db2.gz JTLCCGHLIMDMHA-LLVKDONJSA-N -1 3 397.457 0.584 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826175583 607825774 /nfs/dbraw/zinc/82/57/74/607825774.db2.gz JTLCCGHLIMDMHA-LLVKDONJSA-N -1 3 397.457 0.584 20 0 GCADHM C[C@@H](OC(=O)[C@@H]1CCC(=O)O1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000824713129 607826148 /nfs/dbraw/zinc/82/61/48/607826148.db2.gz GYDIVFDBHVFFNB-APPZFPTMSA-N -1 3 391.409 0.993 20 0 GCADHM C[C@@H](OC(=O)[C@@H]1CCC(=O)O1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000824713129 607826149 /nfs/dbraw/zinc/82/61/49/607826149.db2.gz GYDIVFDBHVFFNB-APPZFPTMSA-N -1 3 391.409 0.993 20 0 GCADHM C[C@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC000824420030 607826292 /nfs/dbraw/zinc/82/62/92/607826292.db2.gz FJCTZHDSQSHEJM-LLVKDONJSA-N -1 3 394.457 0.525 20 0 GCADHM C[C@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC000824420030 607826293 /nfs/dbraw/zinc/82/62/93/607826293.db2.gz FJCTZHDSQSHEJM-LLVKDONJSA-N -1 3 394.457 0.525 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825839901 607827147 /nfs/dbraw/zinc/82/71/47/607827147.db2.gz KVLSIDUJPFXZHV-AWEZNQCLSA-N -1 3 378.458 0.193 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825839901 607827148 /nfs/dbraw/zinc/82/71/48/607827148.db2.gz KVLSIDUJPFXZHV-AWEZNQCLSA-N -1 3 378.458 0.193 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824450513 607827657 /nfs/dbraw/zinc/82/76/57/607827657.db2.gz XDTBXIWCBUDEJP-LLVKDONJSA-N -1 3 387.487 0.005 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824450513 607827658 /nfs/dbraw/zinc/82/76/58/607827658.db2.gz XDTBXIWCBUDEJP-LLVKDONJSA-N -1 3 387.487 0.005 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCCNC1=O ZINC000825946282 607828087 /nfs/dbraw/zinc/82/80/87/607828087.db2.gz QZJCBVSFXOWUHA-AWEZNQCLSA-N -1 3 378.458 0.241 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCCNC1=O ZINC000825946282 607828088 /nfs/dbraw/zinc/82/80/88/607828088.db2.gz QZJCBVSFXOWUHA-AWEZNQCLSA-N -1 3 378.458 0.241 20 0 GCADHM NC(=O)CC[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826391129 607828386 /nfs/dbraw/zinc/82/83/86/607828386.db2.gz XOCKHZGWLUEWRH-ZDUSSCGKSA-N -1 3 392.485 0.618 20 0 GCADHM NC(=O)CC[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826391129 607828387 /nfs/dbraw/zinc/82/83/87/607828387.db2.gz XOCKHZGWLUEWRH-ZDUSSCGKSA-N -1 3 392.485 0.618 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824858925 607828868 /nfs/dbraw/zinc/82/88/68/607828868.db2.gz MYTKUUBNXBHBNI-BWJFDKCMSA-N -1 3 383.499 0.482 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824858925 607828869 /nfs/dbraw/zinc/82/88/69/607828869.db2.gz MYTKUUBNXBHBNI-BWJFDKCMSA-N -1 3 383.499 0.482 20 0 GCADHM Cc1nc(C(C)(C)NCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000826323626 607829991 /nfs/dbraw/zinc/82/99/91/607829991.db2.gz LJFUNZFFWSXLQD-UHFFFAOYSA-N -1 3 377.430 0.857 20 0 GCADHM Cc1nc(C(C)(C)NCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000826323626 607829992 /nfs/dbraw/zinc/82/99/92/607829992.db2.gz LJFUNZFFWSXLQD-UHFFFAOYSA-N -1 3 377.430 0.857 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826185029 607835786 /nfs/dbraw/zinc/83/57/86/607835786.db2.gz WCRVSODNXBKFIU-GLQYFDAESA-N -1 3 398.423 0.888 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000826185029 607835787 /nfs/dbraw/zinc/83/57/87/607835787.db2.gz WCRVSODNXBKFIU-GLQYFDAESA-N -1 3 398.423 0.888 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826451929 607836204 /nfs/dbraw/zinc/83/62/04/607836204.db2.gz BTVDWNVVFBNARG-CVEARBPZSA-N -1 3 396.407 0.406 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826451929 607836205 /nfs/dbraw/zinc/83/62/05/607836205.db2.gz BTVDWNVVFBNARG-CVEARBPZSA-N -1 3 396.407 0.406 20 0 GCADHM C[C@@H](CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)S(C)(=O)=O ZINC000824419602 607837137 /nfs/dbraw/zinc/83/71/37/607837137.db2.gz AELLBEHPMQHVHI-NSHDSACASA-N -1 3 378.458 0.974 20 0 GCADHM C[C@@H](CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)S(C)(=O)=O ZINC000824419602 607837138 /nfs/dbraw/zinc/83/71/38/607837138.db2.gz AELLBEHPMQHVHI-NSHDSACASA-N -1 3 378.458 0.974 20 0 GCADHM CN(CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O)c1ccccc1-c1nnn[n-]1 ZINC000825950309 607846625 /nfs/dbraw/zinc/84/66/25/607846625.db2.gz NIAYKCMEDQLDMO-CYBMUJFWSA-N -1 3 380.412 0.612 20 0 GCADHM CN(CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O)c1ccccc1-c1nn[n-]n1 ZINC000825950309 607846626 /nfs/dbraw/zinc/84/66/26/607846626.db2.gz NIAYKCMEDQLDMO-CYBMUJFWSA-N -1 3 380.412 0.612 20 0 GCADHM CN(CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825950956 607848128 /nfs/dbraw/zinc/84/81/28/607848128.db2.gz XZZIXDNAHHVVOZ-CYBMUJFWSA-N -1 3 398.402 0.751 20 0 GCADHM CN(CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825950957 607848295 /nfs/dbraw/zinc/84/82/95/607848295.db2.gz XZZIXDNAHHVVOZ-ZDUSSCGKSA-N -1 3 398.402 0.751 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nnn[n-]1)c1cncc(Cl)c1 ZINC000826491372 607852294 /nfs/dbraw/zinc/85/22/94/607852294.db2.gz GQLSFMJYHSHEJG-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nn[n-]n1)c1cncc(Cl)c1 ZINC000826491372 607852295 /nfs/dbraw/zinc/85/22/95/607852295.db2.gz GQLSFMJYHSHEJG-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC000826145626 607852440 /nfs/dbraw/zinc/85/24/40/607852440.db2.gz JZHFAJRWEYXVCG-BPLDGKMQSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC000826145626 607852441 /nfs/dbraw/zinc/85/24/41/607852441.db2.gz JZHFAJRWEYXVCG-BPLDGKMQSA-N -1 3 379.442 0.824 20 0 GCADHM CN(C)c1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000825879215 607853701 /nfs/dbraw/zinc/85/37/01/607853701.db2.gz JNHARRBMLKTKJE-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM O=S(=O)(NC[C@@]1(O)CCOC1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826490199 607853877 /nfs/dbraw/zinc/85/38/77/607853877.db2.gz MPHJHLYUIZJBSA-LBPRGKRZSA-N -1 3 393.347 0.315 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000823973850 607854159 /nfs/dbraw/zinc/85/41/59/607854159.db2.gz LNVFQRYEYYIIID-CQSZACIVSA-N -1 3 387.444 0.755 20 0 GCADHM COc1ccc(CNC(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)cc1-c1nnn[n-]1 ZINC000826197450 607855316 /nfs/dbraw/zinc/85/53/16/607855316.db2.gz PIJZNBUSAZSAKL-AWEZNQCLSA-N -1 3 387.444 0.885 20 0 GCADHM COc1ccc(CNC(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)cc1-c1nn[n-]n1 ZINC000826197450 607855317 /nfs/dbraw/zinc/85/53/17/607855317.db2.gz PIJZNBUSAZSAKL-AWEZNQCLSA-N -1 3 387.444 0.885 20 0 GCADHM CCc1noc(C)c1NC(=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825771254 607859634 /nfs/dbraw/zinc/85/96/34/607859634.db2.gz JCTPPDZRLPFFNV-UHFFFAOYSA-N -1 3 385.384 0.859 20 0 GCADHM O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826501381 607868490 /nfs/dbraw/zinc/86/84/90/607868490.db2.gz NQIBJOQTKITKTI-KGLIPLIRSA-N -1 3 388.359 0.372 20 0 GCADHM O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826501381 607868491 /nfs/dbraw/zinc/86/84/91/607868491.db2.gz NQIBJOQTKITKTI-KGLIPLIRSA-N -1 3 388.359 0.372 20 0 GCADHM C[C@@H](Oc1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1)C(N)=O ZINC000824738871 607876948 /nfs/dbraw/zinc/87/69/48/607876948.db2.gz SVQREVZYBQSDMB-OCCSQVGLSA-N -1 3 399.407 0.938 20 0 GCADHM NC(=O)COc1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826391592 607877539 /nfs/dbraw/zinc/87/75/39/607877539.db2.gz SCMJYWHYGKNZAZ-CYBMUJFWSA-N -1 3 385.380 0.550 20 0 GCADHM CCN(C(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377190 607879103 /nfs/dbraw/zinc/87/91/03/607879103.db2.gz WJPJOCJIZUHQMI-UHFFFAOYSA-N -1 3 389.803 0.434 20 0 GCADHM CCN(C(=O)Cn1ccc(=O)n(C)c1=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377190 607879104 /nfs/dbraw/zinc/87/91/04/607879104.db2.gz WJPJOCJIZUHQMI-UHFFFAOYSA-N -1 3 389.803 0.434 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825176436 607879741 /nfs/dbraw/zinc/87/97/41/607879741.db2.gz SZEWREHDNREJTR-KBXCAEBGSA-N -1 3 396.411 0.491 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825176436 607879742 /nfs/dbraw/zinc/87/97/42/607879742.db2.gz SZEWREHDNREJTR-KBXCAEBGSA-N -1 3 396.411 0.491 20 0 GCADHM Cc1ccnc(CS(=O)(=O)C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826308608 607880844 /nfs/dbraw/zinc/88/08/44/607880844.db2.gz HQLPEPRTAXKBPE-CYBMUJFWSA-N -1 3 390.425 0.320 20 0 GCADHM O=C(CN1C(=O)N[C@@]2(CCOC2)C1=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826409817 607894226 /nfs/dbraw/zinc/89/42/26/607894226.db2.gz QIMMPLPHQUKYEU-OAHLLOKOSA-N -1 3 391.775 0.170 20 0 GCADHM O=C(CN1C(=O)N[C@@]2(CCOC2)C1=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826409817 607894227 /nfs/dbraw/zinc/89/42/27/607894227.db2.gz QIMMPLPHQUKYEU-OAHLLOKOSA-N -1 3 391.775 0.170 20 0 GCADHM NS(=O)(=O)[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000826394222 607899362 /nfs/dbraw/zinc/89/93/62/607899362.db2.gz BOELRARXYZJSDL-SSDOTTSWSA-N -1 3 381.368 0.560 20 0 GCADHM NS(=O)(=O)[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000826394222 607899363 /nfs/dbraw/zinc/89/93/63/607899363.db2.gz BOELRARXYZJSDL-SSDOTTSWSA-N -1 3 381.368 0.560 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825210892 607907023 /nfs/dbraw/zinc/90/70/23/607907023.db2.gz JZQSESOIEGUJBS-IAQYHMDHSA-N -1 3 396.448 0.931 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825210892 607907024 /nfs/dbraw/zinc/90/70/24/607907024.db2.gz JZQSESOIEGUJBS-IAQYHMDHSA-N -1 3 396.448 0.931 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC1CCS(=O)(=O)CC1 ZINC000826256145 607907894 /nfs/dbraw/zinc/90/78/94/607907894.db2.gz WRYRLEMEQVKYIX-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC1CCS(=O)(=O)CC1 ZINC000826256145 607907895 /nfs/dbraw/zinc/90/78/95/607907895.db2.gz WRYRLEMEQVKYIX-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000824177330 607911199 /nfs/dbraw/zinc/91/11/99/607911199.db2.gz HGLXOHMCPPRHMJ-UHFFFAOYSA-N -1 3 375.437 0.135 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000824177330 607911200 /nfs/dbraw/zinc/91/12/00/607911200.db2.gz HGLXOHMCPPRHMJ-UHFFFAOYSA-N -1 3 375.437 0.135 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)C1CCC1 ZINC000824635163 607912315 /nfs/dbraw/zinc/91/23/15/607912315.db2.gz ZDJNTZOHGHXSNU-WDEREUQCSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)C1CCC1 ZINC000824635163 607912316 /nfs/dbraw/zinc/91/23/16/607912316.db2.gz ZDJNTZOHGHXSNU-WDEREUQCSA-N -1 3 378.458 0.838 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)cn1 ZINC000826067909 607914296 /nfs/dbraw/zinc/91/42/96/607914296.db2.gz NCSAHRWCKLDOES-UHFFFAOYSA-N -1 3 396.363 0.765 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)cn1 ZINC000826067909 607914297 /nfs/dbraw/zinc/91/42/97/607914297.db2.gz NCSAHRWCKLDOES-UHFFFAOYSA-N -1 3 396.363 0.765 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000823981767 607915023 /nfs/dbraw/zinc/91/50/23/607915023.db2.gz QZJJCIWMQUYWHI-LLVKDONJSA-N -1 3 378.414 0.811 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000823981767 607915024 /nfs/dbraw/zinc/91/50/24/607915024.db2.gz QZJJCIWMQUYWHI-LLVKDONJSA-N -1 3 378.414 0.811 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000824745028 607918098 /nfs/dbraw/zinc/91/80/98/607918098.db2.gz KYHSKOZUOHRNRD-LLVKDONJSA-N -1 3 379.442 0.575 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000824745028 607918099 /nfs/dbraw/zinc/91/80/99/607918099.db2.gz KYHSKOZUOHRNRD-LLVKDONJSA-N -1 3 379.442 0.575 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@H]1CCSC1 ZINC000824640368 607918714 /nfs/dbraw/zinc/91/87/14/607918714.db2.gz HJBYGWBQEDECDQ-PWSUYJOCSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@H]1CCSC1 ZINC000824640368 607918715 /nfs/dbraw/zinc/91/87/15/607918715.db2.gz HJBYGWBQEDECDQ-PWSUYJOCSA-N -1 3 396.498 0.497 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823981980 607924838 /nfs/dbraw/zinc/92/48/38/607924838.db2.gz VHQBMVMXOVZXNV-HNNXBMFYSA-N -1 3 384.444 0.311 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823981980 607924839 /nfs/dbraw/zinc/92/48/39/607924839.db2.gz VHQBMVMXOVZXNV-HNNXBMFYSA-N -1 3 384.444 0.311 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826067456 607928096 /nfs/dbraw/zinc/92/80/96/607928096.db2.gz GDXIEJMIWUAODY-ZDUSSCGKSA-N -1 3 375.433 0.835 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826067456 607928097 /nfs/dbraw/zinc/92/80/97/607928097.db2.gz GDXIEJMIWUAODY-ZDUSSCGKSA-N -1 3 375.433 0.835 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826364412 607928113 /nfs/dbraw/zinc/92/81/13/607928113.db2.gz VRRLWVRCMMBTAX-GFCCVEGCSA-N -1 3 382.432 0.606 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826364412 607928114 /nfs/dbraw/zinc/92/81/14/607928114.db2.gz VRRLWVRCMMBTAX-GFCCVEGCSA-N -1 3 382.432 0.606 20 0 GCADHM Cc1sc(C(N)=O)cc1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826349489 607928866 /nfs/dbraw/zinc/92/88/66/607928866.db2.gz JJYSNINWEWYKEX-UHFFFAOYSA-N -1 3 385.409 0.704 20 0 GCADHM Cc1sc(C(N)=O)cc1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826349489 607928867 /nfs/dbraw/zinc/92/88/67/607928867.db2.gz JJYSNINWEWYKEX-UHFFFAOYSA-N -1 3 385.409 0.704 20 0 GCADHM Nc1ncncc1CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826396833 607928938 /nfs/dbraw/zinc/92/89/38/607928938.db2.gz LWZTVTPKDXALIZ-UHFFFAOYSA-N -1 3 381.400 0.664 20 0 GCADHM Nc1ncncc1CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826396833 607928939 /nfs/dbraw/zinc/92/89/39/607928939.db2.gz LWZTVTPKDXALIZ-UHFFFAOYSA-N -1 3 381.400 0.664 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825213412 607929354 /nfs/dbraw/zinc/92/93/54/607929354.db2.gz XNLZWEQWIQUCDZ-CZUORRHYSA-N -1 3 399.455 0.360 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825213412 607929355 /nfs/dbraw/zinc/92/93/55/607929355.db2.gz XNLZWEQWIQUCDZ-CZUORRHYSA-N -1 3 399.455 0.360 20 0 GCADHM O=C(COC(=O)C[C@H]1C=CS(=O)(=O)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826415908 607929685 /nfs/dbraw/zinc/92/96/85/607929685.db2.gz YAKGEBJEVRBRQX-SNVBAGLBSA-N -1 3 377.382 0.297 20 0 GCADHM O=C(COC(=O)C[C@H]1C=CS(=O)(=O)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826415908 607929686 /nfs/dbraw/zinc/92/96/86/607929686.db2.gz YAKGEBJEVRBRQX-SNVBAGLBSA-N -1 3 377.382 0.297 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826364309 607929706 /nfs/dbraw/zinc/92/97/06/607929706.db2.gz RLGPNALQOYVJAE-SNVBAGLBSA-N -1 3 384.375 0.694 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826364309 607929707 /nfs/dbraw/zinc/92/97/07/607929707.db2.gz RLGPNALQOYVJAE-SNVBAGLBSA-N -1 3 384.375 0.694 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000826184694 607929738 /nfs/dbraw/zinc/92/97/38/607929738.db2.gz HEFQUATVDIQPSZ-GFCCVEGCSA-N -1 3 396.411 0.563 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000826184694 607929739 /nfs/dbraw/zinc/92/97/39/607929739.db2.gz HEFQUATVDIQPSZ-GFCCVEGCSA-N -1 3 396.411 0.563 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825659622 607937123 /nfs/dbraw/zinc/93/71/23/607937123.db2.gz WXMRNKMEBXYRHO-MRVPVSSYSA-N -1 3 377.423 0.107 20 0 GCADHM O=S(=O)(C1CCS(=O)(=O)CC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826496828 607938733 /nfs/dbraw/zinc/93/87/33/607938733.db2.gz LEWJZEWPDZUFBO-UHFFFAOYSA-N -1 3 383.455 0.136 20 0 GCADHM O=S(=O)(C1CCS(=O)(=O)CC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826496828 607938734 /nfs/dbraw/zinc/93/87/34/607938734.db2.gz LEWJZEWPDZUFBO-UHFFFAOYSA-N -1 3 383.455 0.136 20 0 GCADHM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccncc1-c1nnn[n-]1)C2=O ZINC000824874674 607939621 /nfs/dbraw/zinc/93/96/21/607939621.db2.gz FUTWLCRJQPDVSQ-GHMZBOCLSA-N -1 3 398.427 0.369 20 0 GCADHM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccncc1-c1nn[n-]n1)C2=O ZINC000824874674 607939622 /nfs/dbraw/zinc/93/96/22/607939622.db2.gz FUTWLCRJQPDVSQ-GHMZBOCLSA-N -1 3 398.427 0.369 20 0 GCADHM Cc1cc(CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)ncn1 ZINC000826266979 607940040 /nfs/dbraw/zinc/94/00/40/607940040.db2.gz KNLBXTXUTRJAJZ-UHFFFAOYSA-N -1 3 380.416 0.392 20 0 GCADHM Cc1cc(CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)ncn1 ZINC000826266979 607940041 /nfs/dbraw/zinc/94/00/41/607940041.db2.gz KNLBXTXUTRJAJZ-UHFFFAOYSA-N -1 3 380.416 0.392 20 0 GCADHM Cn1c(=O)cccc1C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826355347 607940490 /nfs/dbraw/zinc/94/04/90/607940490.db2.gz VLHDUVYJSLWEMF-UHFFFAOYSA-N -1 3 379.424 0.964 20 0 GCADHM Cn1c(=O)cccc1C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826355347 607940491 /nfs/dbraw/zinc/94/04/91/607940491.db2.gz VLHDUVYJSLWEMF-UHFFFAOYSA-N -1 3 379.424 0.964 20 0 GCADHM Cc1sc(NC(=O)CN2CCC(OCCO)CC2)c(-c2nnn[n-]2)c1C ZINC000826349729 607942306 /nfs/dbraw/zinc/94/23/06/607942306.db2.gz SGXGQHOGCXLLDL-UHFFFAOYSA-N -1 3 380.474 0.957 20 0 GCADHM Cc1sc(NC(=O)CN2CCC(OCCO)CC2)c(-c2nn[n-]n2)c1C ZINC000826349729 607942307 /nfs/dbraw/zinc/94/23/07/607942307.db2.gz SGXGQHOGCXLLDL-UHFFFAOYSA-N -1 3 380.474 0.957 20 0 GCADHM O=C1[C@@H](N2CCC(OCCO)CC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000826476101 607942902 /nfs/dbraw/zinc/94/29/02/607942902.db2.gz ARRAAAJZJJRWAX-ZDUSSCGKSA-N -1 3 378.458 0.507 20 0 GCADHM O=C1[C@@H](N2CCC(OCCO)CC2)CCN1c1sccc1-c1nn[n-]n1 ZINC000826476101 607942903 /nfs/dbraw/zinc/94/29/03/607942903.db2.gz ARRAAAJZJJRWAX-ZDUSSCGKSA-N -1 3 378.458 0.507 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@H](CO)CC(F)(F)F ZINC000826450813 607944192 /nfs/dbraw/zinc/94/41/92/607944192.db2.gz FBXMGTGXMRSFFN-ZETCQYMHSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@H](CO)CC(F)(F)F ZINC000826450813 607944193 /nfs/dbraw/zinc/94/41/93/607944193.db2.gz FBXMGTGXMRSFFN-ZETCQYMHSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@H](CO)CC(F)(F)F ZINC000826454402 607944261 /nfs/dbraw/zinc/94/42/61/607944261.db2.gz VGRDOGTWICKDSG-ZETCQYMHSA-N -1 3 376.270 0.374 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@H](CO)CC(F)(F)F ZINC000826454402 607944262 /nfs/dbraw/zinc/94/42/62/607944262.db2.gz VGRDOGTWICKDSG-ZETCQYMHSA-N -1 3 376.270 0.374 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@H](CO)CC(F)(F)F ZINC000826453035 607944381 /nfs/dbraw/zinc/94/43/81/607944381.db2.gz SNPQZCNUUXUOCQ-ZETCQYMHSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@H](CO)CC(F)(F)F ZINC000826453035 607944382 /nfs/dbraw/zinc/94/43/82/607944382.db2.gz SNPQZCNUUXUOCQ-ZETCQYMHSA-N -1 3 392.725 0.888 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN([C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1C ZINC000826342096 607957650 /nfs/dbraw/zinc/95/76/50/607957650.db2.gz YALORFKDMJBINN-OCCSQVGLSA-N -1 3 389.460 0.810 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN([C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1C ZINC000826342096 607957651 /nfs/dbraw/zinc/95/76/51/607957651.db2.gz YALORFKDMJBINN-OCCSQVGLSA-N -1 3 389.460 0.810 20 0 GCADHM C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000824714530 607959317 /nfs/dbraw/zinc/95/93/17/607959317.db2.gz NSZVHHIPBFWSOS-LLVKDONJSA-N -1 3 388.409 0.844 20 0 GCADHM C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000824714530 607959318 /nfs/dbraw/zinc/95/93/18/607959318.db2.gz NSZVHHIPBFWSOS-LLVKDONJSA-N -1 3 388.409 0.844 20 0 GCADHM CN1Cc2ccccc2[C@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826044653 607959422 /nfs/dbraw/zinc/95/94/22/607959422.db2.gz ITQORPPGDIJWRY-QGZVFWFLSA-N -1 3 391.435 0.899 20 0 GCADHM Cc1nc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c(=O)[nH]c1C ZINC000826323515 607964299 /nfs/dbraw/zinc/96/42/99/607964299.db2.gz HGZHNSPHNLLABM-UHFFFAOYSA-N -1 3 398.402 0.668 20 0 GCADHM Cc1nc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c(=O)[nH]c1C ZINC000826323515 607964300 /nfs/dbraw/zinc/96/43/00/607964300.db2.gz HGZHNSPHNLLABM-UHFFFAOYSA-N -1 3 398.402 0.668 20 0 GCADHM Cc1c(CCC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cnn1C ZINC000826236165 607966290 /nfs/dbraw/zinc/96/62/90/607966290.db2.gz ACHFYPSWZMWBRH-UHFFFAOYSA-N -1 3 381.444 0.585 20 0 GCADHM Cc1c(CCC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cnn1C ZINC000826236165 607966291 /nfs/dbraw/zinc/96/62/91/607966291.db2.gz ACHFYPSWZMWBRH-UHFFFAOYSA-N -1 3 381.444 0.585 20 0 GCADHM COc1ccc(COc2cccc(C(=O)NCC(N)=O)c2)cc1-c1nnn[n-]1 ZINC000826207149 607972659 /nfs/dbraw/zinc/97/26/59/607972659.db2.gz CBQWDSUUIIPCNQ-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM COc1ccc(COc2cccc(C(=O)NCC(N)=O)c2)cc1-c1nn[n-]n1 ZINC000826207149 607972660 /nfs/dbraw/zinc/97/26/60/607972660.db2.gz CBQWDSUUIIPCNQ-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCSC1 ZINC000826124116 607973234 /nfs/dbraw/zinc/97/32/34/607973234.db2.gz PBPVDTXFMHNRLE-CYBMUJFWSA-N -1 3 387.418 0.333 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCSC1 ZINC000826124116 607973235 /nfs/dbraw/zinc/97/32/35/607973235.db2.gz PBPVDTXFMHNRLE-CYBMUJFWSA-N -1 3 387.418 0.333 20 0 GCADHM COCC1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826153090 607973465 /nfs/dbraw/zinc/97/34/65/607973465.db2.gz BEGPECVFCOSLKR-UHFFFAOYSA-N -1 3 387.849 0.682 20 0 GCADHM COCC(=O)N(C)CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826147744 607973567 /nfs/dbraw/zinc/97/35/67/607973567.db2.gz KNDPYRHJZCLIKU-UHFFFAOYSA-N -1 3 387.444 0.010 20 0 GCADHM COCC(=O)N(C)CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826147744 607973568 /nfs/dbraw/zinc/97/35/68/607973568.db2.gz KNDPYRHJZCLIKU-UHFFFAOYSA-N -1 3 387.444 0.010 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCSCC1 ZINC000826124806 607973628 /nfs/dbraw/zinc/97/36/28/607973628.db2.gz WBADECDKPWWFNC-UHFFFAOYSA-N -1 3 397.482 0.892 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCSCC1 ZINC000826124806 607973629 /nfs/dbraw/zinc/97/36/29/607973629.db2.gz WBADECDKPWWFNC-UHFFFAOYSA-N -1 3 397.482 0.892 20 0 GCADHM C[C@@H](Oc1cccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1)C(N)=O ZINC000824745143 607973791 /nfs/dbraw/zinc/97/37/91/607973791.db2.gz NEIVFBFJUDMOBK-SNVBAGLBSA-N -1 3 389.393 0.887 20 0 GCADHM C[C@@H](Oc1cccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1)C(N)=O ZINC000824745143 607973792 /nfs/dbraw/zinc/97/37/92/607973792.db2.gz NEIVFBFJUDMOBK-SNVBAGLBSA-N -1 3 389.393 0.887 20 0 GCADHM C[C@@H](Oc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1)C(N)=O ZINC000824745197 607973987 /nfs/dbraw/zinc/97/39/87/607973987.db2.gz OOUOHDVQWFVTEZ-SNVBAGLBSA-N -1 3 389.393 0.887 20 0 GCADHM C[C@@H](Oc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000824745197 607973988 /nfs/dbraw/zinc/97/39/88/607973988.db2.gz OOUOHDVQWFVTEZ-SNVBAGLBSA-N -1 3 389.393 0.887 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)cn1C)Oc1ccc(F)cc1 ZINC000826103802 607976500 /nfs/dbraw/zinc/97/65/00/607976500.db2.gz KZRYPJHPFIABTH-AWEZNQCLSA-N -1 3 388.359 0.695 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)cn1C)Oc1ccc(F)cc1 ZINC000826103802 607976501 /nfs/dbraw/zinc/97/65/01/607976501.db2.gz KZRYPJHPFIABTH-AWEZNQCLSA-N -1 3 388.359 0.695 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000826357540 607976694 /nfs/dbraw/zinc/97/66/94/607976694.db2.gz JBBRBQRWJXCDGH-CQSZACIVSA-N -1 3 379.424 0.984 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000826357540 607976695 /nfs/dbraw/zinc/97/66/95/607976695.db2.gz JBBRBQRWJXCDGH-CQSZACIVSA-N -1 3 379.424 0.984 20 0 GCADHM COCC(=O)N(C)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826147697 607979681 /nfs/dbraw/zinc/97/96/81/607979681.db2.gz IHVAMCKPUKKMML-UHFFFAOYSA-N -1 3 396.791 0.107 20 0 GCADHM COCC(=O)N(C)CC(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826147697 607979682 /nfs/dbraw/zinc/97/96/82/607979682.db2.gz IHVAMCKPUKKMML-UHFFFAOYSA-N -1 3 396.791 0.107 20 0 GCADHM CNC(=O)c1cccc(OCC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826073026 607985343 /nfs/dbraw/zinc/98/53/43/607985343.db2.gz AZRZWQUSTUUSNI-UHFFFAOYSA-N -1 3 396.407 0.800 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000824289254 607986333 /nfs/dbraw/zinc/98/63/33/607986333.db2.gz YODYJPGYBHISPA-UHFFFAOYSA-N -1 3 380.474 0.238 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000824289254 607986334 /nfs/dbraw/zinc/98/63/34/607986334.db2.gz YODYJPGYBHISPA-UHFFFAOYSA-N -1 3 380.474 0.238 20 0 GCADHM COc1ccc(S(=O)(=O)N2CC(Nc3ncccc3-c3nnn[n-]3)C2)cc1 ZINC000826211488 607987248 /nfs/dbraw/zinc/98/72/48/607987248.db2.gz GZHLZGKOXUKBRO-UHFFFAOYSA-N -1 3 387.425 0.755 20 0 GCADHM COc1ccc(S(=O)(=O)N2CC(Nc3ncccc3-c3nn[n-]n3)C2)cc1 ZINC000826211488 607987249 /nfs/dbraw/zinc/98/72/49/607987249.db2.gz GZHLZGKOXUKBRO-UHFFFAOYSA-N -1 3 387.425 0.755 20 0 GCADHM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000826391539 607987535 /nfs/dbraw/zinc/98/75/35/607987535.db2.gz PIYIPAROGUHJDF-CQSZACIVSA-N -1 3 380.412 0.277 20 0 GCADHM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000826391539 607987536 /nfs/dbraw/zinc/98/75/36/607987536.db2.gz PIYIPAROGUHJDF-CQSZACIVSA-N -1 3 380.412 0.277 20 0 GCADHM COCC1(O)CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826153490 607991160 /nfs/dbraw/zinc/99/11/60/607991160.db2.gz PGDYXNUTFCCJBE-UHFFFAOYSA-N -1 3 380.836 0.932 20 0 GCADHM COCC1(O)CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826153490 607991161 /nfs/dbraw/zinc/99/11/61/607991161.db2.gz PGDYXNUTFCCJBE-UHFFFAOYSA-N -1 3 380.836 0.932 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCc1nc(-c2ccncc2)no1 ZINC000826395696 607991553 /nfs/dbraw/zinc/99/15/53/607991553.db2.gz PHQMBILHBRXGFJ-UHFFFAOYSA-N -1 3 396.371 0.266 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCc1nc(-c2ccncc2)no1 ZINC000826395696 607991554 /nfs/dbraw/zinc/99/15/54/607991554.db2.gz PHQMBILHBRXGFJ-UHFFFAOYSA-N -1 3 396.371 0.266 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000826389970 607993414 /nfs/dbraw/zinc/99/34/14/607993414.db2.gz MQVPICGUUXFYPO-GDBMZVCRSA-N -1 3 377.408 0.872 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](C(N)=O)c2ccccc21 ZINC000826389970 607993415 /nfs/dbraw/zinc/99/34/15/607993415.db2.gz MQVPICGUUXFYPO-GDBMZVCRSA-N -1 3 377.408 0.872 20 0 GCADHM COC[C@@H](CCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826150178 608000789 /nfs/dbraw/zinc/00/07/89/608000789.db2.gz YGIHLEBLWIYUSR-MRVPVSSYSA-N -1 3 395.363 0.561 20 0 GCADHM COC[C@@H](CCO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826150178 608000790 /nfs/dbraw/zinc/00/07/90/608000790.db2.gz YGIHLEBLWIYUSR-MRVPVSSYSA-N -1 3 395.363 0.561 20 0 GCADHM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826227123 608001035 /nfs/dbraw/zinc/00/10/35/608001035.db2.gz MEHSGTNVKUBWEN-GMSGAONNSA-N -1 3 377.879 0.911 20 0 GCADHM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826227123 608001036 /nfs/dbraw/zinc/00/10/36/608001036.db2.gz MEHSGTNVKUBWEN-GMSGAONNSA-N -1 3 377.879 0.911 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000825492806 608006757 /nfs/dbraw/zinc/00/67/57/608006757.db2.gz HRQNAOXUFUGLQO-MRXNPFEDSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000825494099 608006870 /nfs/dbraw/zinc/00/68/70/608006870.db2.gz SLDGJTJOTDRTQK-MRXNPFEDSA-N -1 3 388.428 0.753 20 0 GCADHM COC(=O)[C@]1(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCSC1 ZINC000826124852 608007053 /nfs/dbraw/zinc/00/70/53/608007053.db2.gz XIJORGKWUSDEOL-HWPZZCPQSA-N -1 3 377.426 0.799 20 0 GCADHM COC(=O)[C@]1(NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)CCSC1 ZINC000826124105 608007239 /nfs/dbraw/zinc/00/72/39/608007239.db2.gz OQGQSLOMQMDVGP-INIZCTEOSA-N -1 3 393.425 0.419 20 0 GCADHM COC(=O)[C@]1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)CCSC1 ZINC000826124105 608007240 /nfs/dbraw/zinc/00/72/40/608007240.db2.gz OQGQSLOMQMDVGP-INIZCTEOSA-N -1 3 393.425 0.419 20 0 GCADHM CCS(=O)(=O)CCN(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000825659073 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393.407 0.835 20 0 GCADHM CNC(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000826067215 608081929 /nfs/dbraw/zinc/08/19/29/608081929.db2.gz DXFQCJPSNYTOBU-MRXNPFEDSA-N -1 3 393.407 0.835 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823988341 608082133 /nfs/dbraw/zinc/08/21/33/608082133.db2.gz HJOWVDGAKXBTSH-GJZGRUSLSA-N -1 3 388.453 0.688 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823988341 608082134 /nfs/dbraw/zinc/08/21/34/608082134.db2.gz HJOWVDGAKXBTSH-GJZGRUSLSA-N -1 3 388.453 0.688 20 0 GCADHM CCn1nc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1=O ZINC000825806723 608085473 /nfs/dbraw/zinc/08/54/73/608085473.db2.gz BHOKMYWGULRMTL-HNNXBMFYSA-N -1 3 381.396 0.657 20 0 GCADHM CCn1nc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)ccc1=O ZINC000825806723 608085474 /nfs/dbraw/zinc/08/54/74/608085474.db2.gz BHOKMYWGULRMTL-HNNXBMFYSA-N -1 3 381.396 0.657 20 0 GCADHM 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O=CNc1ccc(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826484293 608105566 /nfs/dbraw/zinc/10/55/66/608105566.db2.gz XBXJMEARHPQYBC-UHFFFAOYSA-N -1 3 380.364 0.908 20 0 GCADHM C[C@@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824723888 608107456 /nfs/dbraw/zinc/10/74/56/608107456.db2.gz WEQDKKMJXDNUEV-SECBINFHSA-N -1 3 394.351 0.799 20 0 GCADHM C[C@@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824723888 608107457 /nfs/dbraw/zinc/10/74/57/608107457.db2.gz WEQDKKMJXDNUEV-SECBINFHSA-N -1 3 394.351 0.799 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCN1CC(F)(F)F ZINC000824967871 608108504 /nfs/dbraw/zinc/10/85/04/608108504.db2.gz NTTSIMQAQOPNRN-JTQLQIEISA-N -1 3 397.361 0.900 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCN1CC(F)(F)F ZINC000824967871 608108505 /nfs/dbraw/zinc/10/85/05/608108505.db2.gz NTTSIMQAQOPNRN-JTQLQIEISA-N -1 3 397.361 0.900 20 0 GCADHM CC(=O)N1CCOC[C@@H]1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000823981975 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378.370 0.185 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825897898 608118319 /nfs/dbraw/zinc/11/83/19/608118319.db2.gz PZUCVENQLSEBRE-UHFFFAOYSA-N -1 3 380.430 0.087 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825897898 608118320 /nfs/dbraw/zinc/11/83/20/608118320.db2.gz PZUCVENQLSEBRE-UHFFFAOYSA-N -1 3 380.430 0.087 20 0 GCADHM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000824449242 608124902 /nfs/dbraw/zinc/12/49/02/608124902.db2.gz MXWIQMYNQIGRDY-FZTITHCBSA-N -1 3 397.404 0.931 20 0 GCADHM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824449242 608124903 /nfs/dbraw/zinc/12/49/03/608124903.db2.gz MXWIQMYNQIGRDY-FZTITHCBSA-N -1 3 397.404 0.931 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000825957512 608125248 /nfs/dbraw/zinc/12/52/48/608125248.db2.gz AZWNRCNTBSDMIA-CQSZACIVSA-N -1 3 378.458 0.975 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000825957512 608125249 /nfs/dbraw/zinc/12/52/49/608125249.db2.gz AZWNRCNTBSDMIA-CQSZACIVSA-N -1 3 378.458 0.975 20 0 GCADHM O=C1NC2(CO1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000826482800 608125329 /nfs/dbraw/zinc/12/53/29/608125329.db2.gz QRPFZTCYMBHQKA-UHFFFAOYSA-N -1 3 398.832 0.783 20 0 GCADHM O=C1NC2(CO1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000826482800 608125330 /nfs/dbraw/zinc/12/53/30/608125330.db2.gz QRPFZTCYMBHQKA-UHFFFAOYSA-N -1 3 398.832 0.783 20 0 GCADHM CC(=O)NC1CCC(N(C)S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000823989386 608126202 /nfs/dbraw/zinc/12/62/02/608126202.db2.gz VYYNAKMJLIWGTC-UHFFFAOYSA-N -1 3 378.458 0.935 20 0 GCADHM CC(=O)NC1CCC(N(C)S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000823989386 608126203 /nfs/dbraw/zinc/12/62/03/608126203.db2.gz VYYNAKMJLIWGTC-UHFFFAOYSA-N -1 3 378.458 0.935 20 0 GCADHM O=C1NC2(CO1)CCN([C@@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000826482674 608126706 /nfs/dbraw/zinc/12/67/06/608126706.db2.gz 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CC[C@H](COC)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825120999 608139616 /nfs/dbraw/zinc/13/96/16/608139616.db2.gz OKHSYDCQHAXVEN-GFCCVEGCSA-N -1 3 392.416 0.372 20 0 GCADHM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000825485818 608139684 /nfs/dbraw/zinc/13/96/84/608139684.db2.gz JSHRABJAKZGAEZ-WDEREUQCSA-N -1 3 377.401 0.958 20 0 GCADHM CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000825485818 608139685 /nfs/dbraw/zinc/13/96/85/608139685.db2.gz JSHRABJAKZGAEZ-WDEREUQCSA-N -1 3 377.401 0.958 20 0 GCADHM CCN(CCCO)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825419684 608140485 /nfs/dbraw/zinc/14/04/85/608140485.db2.gz SCOJJBGRHAAZOY-UHFFFAOYSA-N -1 3 392.416 0.061 20 0 GCADHM CCN(CCCO)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825419684 608140486 /nfs/dbraw/zinc/14/04/86/608140486.db2.gz SCOJJBGRHAAZOY-UHFFFAOYSA-N -1 3 392.416 0.061 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000826277054 608142000 /nfs/dbraw/zinc/14/20/00/608142000.db2.gz HLEPAOVNUCRNRQ-GFCCVEGCSA-N -1 3 392.441 0.197 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000826277054 608142001 /nfs/dbraw/zinc/14/20/01/608142001.db2.gz HLEPAOVNUCRNRQ-GFCCVEGCSA-N -1 3 392.441 0.197 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)cccc1-c1nnn[n-]1 ZINC000826241130 608142057 /nfs/dbraw/zinc/14/20/57/608142057.db2.gz SFYJDWINPOVDQN-LLVKDONJSA-N -1 3 392.441 0.197 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)cccc1-c1nn[n-]n1 ZINC000826241130 608142058 /nfs/dbraw/zinc/14/20/58/608142058.db2.gz SFYJDWINPOVDQN-LLVKDONJSA-N -1 3 392.441 0.197 20 0 GCADHM O=C(NCCCn1ccnn1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826437306 608144334 /nfs/dbraw/zinc/14/43/34/608144334.db2.gz GAOBSJDFRQIDBZ-UHFFFAOYSA-N -1 3 375.780 0.257 20 0 GCADHM O=C(NCCCn1ccnn1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826437306 608144335 /nfs/dbraw/zinc/14/43/35/608144335.db2.gz GAOBSJDFRQIDBZ-UHFFFAOYSA-N -1 3 375.780 0.257 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000824099465 608145935 /nfs/dbraw/zinc/14/59/35/608145935.db2.gz GSODPNHHWDQUCP-UHFFFAOYSA-N -1 3 390.400 0.280 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000826415937 608147300 /nfs/dbraw/zinc/14/73/00/608147300.db2.gz ZZUVYDFYFZBEHD-UHFFFAOYSA-N -1 3 379.376 0.952 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000826415937 608147301 /nfs/dbraw/zinc/14/73/01/608147301.db2.gz ZZUVYDFYFZBEHD-UHFFFAOYSA-N -1 3 379.376 0.952 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)NC1CCCCC1 ZINC000826437388 608157048 /nfs/dbraw/zinc/15/70/48/608157048.db2.gz IZSUZUIGFBDWGC-UHFFFAOYSA-N -1 3 393.473 0.777 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)NC1CCCCC1 ZINC000826437388 608157050 /nfs/dbraw/zinc/15/70/50/608157050.db2.gz IZSUZUIGFBDWGC-UHFFFAOYSA-N -1 3 393.473 0.777 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826486561 608158685 /nfs/dbraw/zinc/15/86/85/608158685.db2.gz HKXOALCWNZFHGI-GOEBONIOSA-N -1 3 379.442 0.624 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826486561 608158686 /nfs/dbraw/zinc/15/86/86/608158686.db2.gz HKXOALCWNZFHGI-GOEBONIOSA-N -1 3 379.442 0.624 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826256230 608158914 /nfs/dbraw/zinc/15/89/14/608158914.db2.gz ZHVBZFLZCQNIQH-CZUORRHYSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826256230 608158915 /nfs/dbraw/zinc/15/89/15/608158915.db2.gz ZHVBZFLZCQNIQH-CZUORRHYSA-N -1 3 379.442 0.792 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476533 608161544 /nfs/dbraw/zinc/16/15/44/608161544.db2.gz MVZDTMKFPAWPLT-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476533 608161546 /nfs/dbraw/zinc/16/15/46/608161546.db2.gz MVZDTMKFPAWPLT-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@@H]1C[C@H](CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCO1 ZINC000824882599 608164122 /nfs/dbraw/zinc/16/41/22/608164122.db2.gz CGKDBOOSUVAPJX-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H]1C[C@H](CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCO1 ZINC000824882599 608164123 /nfs/dbraw/zinc/16/41/23/608164123.db2.gz CGKDBOOSUVAPJX-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825583006 608164673 /nfs/dbraw/zinc/16/46/73/608164673.db2.gz QJRAGDBHOVKUOG-ZDUSSCGKSA-N -1 3 396.835 0.969 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825583006 608164675 /nfs/dbraw/zinc/16/46/75/608164675.db2.gz QJRAGDBHOVKUOG-ZDUSSCGKSA-N -1 3 396.835 0.969 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826417296 608166982 /nfs/dbraw/zinc/16/69/82/608166982.db2.gz MAFICFCONRXPGN-WBVHZDCISA-N -1 3 383.408 0.846 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000825476473 608168081 /nfs/dbraw/zinc/16/80/81/608168081.db2.gz LCPGKKFAPIHVKS-WSROAFLRSA-N -1 3 376.442 0.420 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000825476473 608168082 /nfs/dbraw/zinc/16/80/82/608168082.db2.gz LCPGKKFAPIHVKS-WSROAFLRSA-N -1 3 376.442 0.420 20 0 GCADHM O=C1[C@H](N2CCN3C(=O)OCC[C@H]3C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000826477318 608168327 /nfs/dbraw/zinc/16/83/27/608168327.db2.gz ZZPDNVRARJRXEA-CMPLNLGQSA-N -1 3 389.441 0.560 20 0 GCADHM O=C1[C@H](N2CCN3C(=O)OCC[C@H]3C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000826477318 608168329 /nfs/dbraw/zinc/16/83/29/608168329.db2.gz ZZPDNVRARJRXEA-CMPLNLGQSA-N -1 3 389.441 0.560 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826441630 608168427 /nfs/dbraw/zinc/16/84/27/608168427.db2.gz NCVSZSOJVUEEFM-LBPRGKRZSA-N -1 3 375.364 0.742 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826441630 608168428 /nfs/dbraw/zinc/16/84/28/608168428.db2.gz NCVSZSOJVUEEFM-LBPRGKRZSA-N -1 3 375.364 0.742 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CCN1C(=O)CCC1=O ZINC000825787762 608174267 /nfs/dbraw/zinc/17/42/67/608174267.db2.gz LBFFMTBJWPBNJS-UHFFFAOYSA-N -1 3 382.384 0.714 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CCN1C(=O)CCC1=O ZINC000825787762 608174268 /nfs/dbraw/zinc/17/42/68/608174268.db2.gz LBFFMTBJWPBNJS-UHFFFAOYSA-N -1 3 382.384 0.714 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)CCc1cnccn1 ZINC000826184525 608185620 /nfs/dbraw/zinc/18/56/20/608185620.db2.gz AIHZKEUPSOCFRS-UHFFFAOYSA-N -1 3 382.384 0.305 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CCc1cnccn1 ZINC000826184525 608185622 /nfs/dbraw/zinc/18/56/22/608185622.db2.gz AIHZKEUPSOCFRS-UHFFFAOYSA-N -1 3 382.384 0.305 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2n1CCCC2 ZINC000824477648 608186746 /nfs/dbraw/zinc/18/67/46/608186746.db2.gz BKXUJNUAUUKRJW-NSHDSACASA-N -1 3 395.427 0.402 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2n1CCCC2 ZINC000824477648 608186748 /nfs/dbraw/zinc/18/67/48/608186748.db2.gz BKXUJNUAUUKRJW-NSHDSACASA-N -1 3 395.427 0.402 20 0 GCADHM COc1ncc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cn1 ZINC000826221441 608190034 /nfs/dbraw/zinc/19/00/34/608190034.db2.gz GCCKIWLDUNZGNY-UHFFFAOYSA-N -1 3 377.368 0.985 20 0 GCADHM COc1ncc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cn1 ZINC000826221441 608190035 /nfs/dbraw/zinc/19/00/35/608190035.db2.gz GCCKIWLDUNZGNY-UHFFFAOYSA-N -1 3 377.368 0.985 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cccc1-c1nnn[n-]1 ZINC000826241239 608192495 /nfs/dbraw/zinc/19/24/95/608192495.db2.gz WLJKKCMVHDRGHL-KZULUSFZSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cccc1-c1nn[n-]n1 ZINC000826241239 608192496 /nfs/dbraw/zinc/19/24/96/608192496.db2.gz WLJKKCMVHDRGHL-KZULUSFZSA-N -1 3 386.412 0.568 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1(O)CCSCC1 ZINC000826431502 608199091 /nfs/dbraw/zinc/19/90/91/608199091.db2.gz CRDFDGITTJRIAG-UHFFFAOYSA-N -1 3 389.485 0.605 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1(O)CCSCC1 ZINC000826431502 608199093 /nfs/dbraw/zinc/19/90/93/608199093.db2.gz CRDFDGITTJRIAG-UHFFFAOYSA-N -1 3 389.485 0.605 20 0 GCADHM CC(C)C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1nc(-c2nc[nH]n2)no1 ZINC000824237768 608202191 /nfs/dbraw/zinc/20/21/91/608202191.db2.gz VXXVYFWOOMBBTO-JTQLQIEISA-N -1 3 383.376 0.880 20 0 GCADHM CC(C)C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1nc(-c2nc[nH]n2)no1 ZINC000824237768 608202194 /nfs/dbraw/zinc/20/21/94/608202194.db2.gz VXXVYFWOOMBBTO-JTQLQIEISA-N -1 3 383.376 0.880 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826438869 608204995 /nfs/dbraw/zinc/20/49/95/608204995.db2.gz UCZFBHLDSQMRMD-RDTXWAMCSA-N -1 3 388.428 0.883 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000825476212 608208662 /nfs/dbraw/zinc/20/86/62/608208662.db2.gz CGXVEECGPPWTKY-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000825476212 608208663 /nfs/dbraw/zinc/20/86/63/608208663.db2.gz CGXVEECGPPWTKY-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(=O)[nH]c1C ZINC000826323388 608210412 /nfs/dbraw/zinc/21/04/12/608210412.db2.gz CEJDILHCXPQCIC-AWEZNQCLSA-N -1 3 381.396 0.781 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(=O)[nH]c1C ZINC000826323388 608210414 /nfs/dbraw/zinc/21/04/14/608210414.db2.gz CEJDILHCXPQCIC-AWEZNQCLSA-N -1 3 381.396 0.781 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476051 608210718 /nfs/dbraw/zinc/21/07/18/608210718.db2.gz ABVOBBSXLCTHFG-SMDDNHRTSA-N -1 3 393.473 0.207 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476051 608210719 /nfs/dbraw/zinc/21/07/19/608210719.db2.gz ABVOBBSXLCTHFG-SMDDNHRTSA-N -1 3 393.473 0.207 20 0 GCADHM CNC(=O)c1ccc(CN(C)C(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826068671 608215853 /nfs/dbraw/zinc/21/58/53/608215853.db2.gz VTXGACLWKJCFHF-UHFFFAOYSA-N -1 3 380.412 0.692 20 0 GCADHM CNC(=O)c1ccc(CN(C)C(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826068671 608215855 /nfs/dbraw/zinc/21/58/55/608215855.db2.gz VTXGACLWKJCFHF-UHFFFAOYSA-N -1 3 380.412 0.692 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1ccc(Cn2cncn2)cc1 ZINC000826413554 608216557 /nfs/dbraw/zinc/21/65/57/608216557.db2.gz JUUUDNQDMUOGHY-UHFFFAOYSA-N -1 3 390.411 0.630 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1ccc(Cn2cncn2)cc1 ZINC000826413554 608216559 /nfs/dbraw/zinc/21/65/59/608216559.db2.gz JUUUDNQDMUOGHY-UHFFFAOYSA-N -1 3 390.411 0.630 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1=NN(CCO)C(=O)CC1 ZINC000825313630 608216839 /nfs/dbraw/zinc/21/68/39/608216839.db2.gz MHMWVSDQYYFUFB-UHFFFAOYSA-N -1 3 385.428 0.576 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1=NN(CCO)C(=O)CC1 ZINC000825313630 608216840 /nfs/dbraw/zinc/21/68/40/608216840.db2.gz MHMWVSDQYYFUFB-UHFFFAOYSA-N -1 3 385.428 0.576 20 0 GCADHM NS(=O)(=O)Cc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826394270 608217821 /nfs/dbraw/zinc/21/78/21/608217821.db2.gz DGZBHZQMWBUBKO-UHFFFAOYSA-N -1 3 388.413 0.101 20 0 GCADHM NS(=O)(=O)Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826394270 608217822 /nfs/dbraw/zinc/21/78/22/608217822.db2.gz DGZBHZQMWBUBKO-UHFFFAOYSA-N -1 3 388.413 0.101 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000826413814 608217827 /nfs/dbraw/zinc/21/78/27/608217827.db2.gz SNVLOYWMXAOWCI-UHFFFAOYSA-N -1 3 396.411 0.688 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000826413814 608217830 /nfs/dbraw/zinc/21/78/30/608217830.db2.gz SNVLOYWMXAOWCI-UHFFFAOYSA-N -1 3 396.411 0.688 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1ccnc(N2CCCC2)c1 ZINC000826414434 608218424 /nfs/dbraw/zinc/21/84/24/608218424.db2.gz VXGNDYVCCCLLDA-UHFFFAOYSA-N -1 3 379.428 0.985 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1ccnc(N2CCCC2)c1 ZINC000826414434 608218426 /nfs/dbraw/zinc/21/84/26/608218426.db2.gz VXGNDYVCCCLLDA-UHFFFAOYSA-N -1 3 379.428 0.985 20 0 GCADHM CCCC(=O)NC[C@@H]1CCCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000825225350 608221414 /nfs/dbraw/zinc/22/14/14/608221414.db2.gz SBDXOCXDHCRVOT-ZDUSSCGKSA-N -1 3 386.460 0.829 20 0 GCADHM CCCC(=O)NC[C@@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000825225350 608221416 /nfs/dbraw/zinc/22/14/16/608221416.db2.gz SBDXOCXDHCRVOT-ZDUSSCGKSA-N -1 3 386.460 0.829 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000824300421 608221461 /nfs/dbraw/zinc/22/14/61/608221461.db2.gz GIGAXCMGHXROMB-UHFFFAOYSA-N -1 3 394.439 0.588 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000824300421 608221463 /nfs/dbraw/zinc/22/14/63/608221463.db2.gz GIGAXCMGHXROMB-UHFFFAOYSA-N -1 3 394.439 0.588 20 0 GCADHM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825834606 608223356 /nfs/dbraw/zinc/22/33/56/608223356.db2.gz ZXWZOPCXMUFMOH-HNNXBMFYSA-N -1 3 394.439 0.489 20 0 GCADHM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825834606 608223358 /nfs/dbraw/zinc/22/33/58/608223358.db2.gz ZXWZOPCXMUFMOH-HNNXBMFYSA-N -1 3 394.439 0.489 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCC[S@](=O)Cc1ccccc1 ZINC000826413432 608223811 /nfs/dbraw/zinc/22/38/11/608223811.db2.gz FFGWKTBDZFYKOH-MHZLTWQESA-N -1 3 385.453 0.739 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCC[S@](=O)Cc1ccccc1 ZINC000826413432 608223813 /nfs/dbraw/zinc/22/38/13/608223813.db2.gz FFGWKTBDZFYKOH-MHZLTWQESA-N -1 3 385.453 0.739 20 0 GCADHM COC(=O)[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC000826103686 608226520 /nfs/dbraw/zinc/22/65/20/608226520.db2.gz KVYWWNMKQITAGC-HNNXBMFYSA-N -1 3 385.359 0.843 20 0 GCADHM COC(=O)[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC000826103686 608226522 /nfs/dbraw/zinc/22/65/22/608226522.db2.gz KVYWWNMKQITAGC-HNNXBMFYSA-N -1 3 385.359 0.843 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824679006 608227241 /nfs/dbraw/zinc/22/72/41/608227241.db2.gz PXYMMNUUZZWSSC-SECBINFHSA-N -1 3 395.876 0.742 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824679006 608227243 /nfs/dbraw/zinc/22/72/43/608227243.db2.gz PXYMMNUUZZWSSC-SECBINFHSA-N -1 3 395.876 0.742 20 0 GCADHM CC[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H](O)C(F)(F)F ZINC000825147857 608238060 /nfs/dbraw/zinc/23/80/60/608238060.db2.gz LWXQZCSGANBGLU-GHMZBOCLSA-N -1 3 379.364 0.988 20 0 GCADHM COC[C@H](O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826151908 608238876 /nfs/dbraw/zinc/23/88/76/608238876.db2.gz MEVODGHSYBHMFA-SECBINFHSA-N -1 3 395.363 0.561 20 0 GCADHM COC[C@H](O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826151908 608238877 /nfs/dbraw/zinc/23/88/77/608238877.db2.gz MEVODGHSYBHMFA-SECBINFHSA-N -1 3 395.363 0.561 20 0 GCADHM Cn1ccc(CNS(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)n1 ZINC000826363609 608239221 /nfs/dbraw/zinc/23/92/21/608239221.db2.gz URPMEBOZZGOAJS-UHFFFAOYSA-N -1 3 398.246 0.841 20 0 GCADHM Cn1ccc(CNS(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)n1 ZINC000826363609 608239223 /nfs/dbraw/zinc/23/92/23/608239223.db2.gz URPMEBOZZGOAJS-UHFFFAOYSA-N -1 3 398.246 0.841 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826060521 608241171 /nfs/dbraw/zinc/24/11/71/608241171.db2.gz NTFDOXGFAWHIDU-UONOGXRCSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826060521 608241173 /nfs/dbraw/zinc/24/11/73/608241173.db2.gz NTFDOXGFAWHIDU-UONOGXRCSA-N -1 3 399.459 0.008 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826322030 608241767 /nfs/dbraw/zinc/24/17/67/608241767.db2.gz XOMWXLKSJZCSEL-CQSZACIVSA-N -1 3 389.441 0.969 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826322030 608241769 /nfs/dbraw/zinc/24/17/69/608241769.db2.gz XOMWXLKSJZCSEL-CQSZACIVSA-N -1 3 389.441 0.969 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)[C@@H](O)C(F)(F)F ZINC000825133130 608244813 /nfs/dbraw/zinc/24/48/13/608244813.db2.gz JRXDEWLKHZXBDL-LDYMZIIASA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)[C@@H](O)C(F)(F)F ZINC000825133130 608244815 /nfs/dbraw/zinc/24/48/15/608244815.db2.gz JRXDEWLKHZXBDL-LDYMZIIASA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)[C@@H](O)C(F)(F)F ZINC000825133015 608244988 /nfs/dbraw/zinc/24/49/88/608244988.db2.gz HEGJCTKSKNQZSL-WCBMZHEXSA-N -1 3 390.297 0.762 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)[C@@H](O)C(F)(F)F ZINC000825133015 608244989 /nfs/dbraw/zinc/24/49/89/608244989.db2.gz HEGJCTKSKNQZSL-WCBMZHEXSA-N -1 3 390.297 0.762 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826050925 608245104 /nfs/dbraw/zinc/24/51/04/608245104.db2.gz IFXSCVHLJBMIPA-KOLCDFICSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826050925 608245106 /nfs/dbraw/zinc/24/51/06/608245106.db2.gz IFXSCVHLJBMIPA-KOLCDFICSA-N -1 3 391.819 0.490 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825759642 608249262 /nfs/dbraw/zinc/24/92/62/608249262.db2.gz LTPAJJRFNAZFPE-UHFFFAOYSA-N -1 3 395.420 0.789 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825759642 608249263 /nfs/dbraw/zinc/24/92/63/608249263.db2.gz LTPAJJRFNAZFPE-UHFFFAOYSA-N -1 3 395.420 0.789 20 0 GCADHM CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825247423 608250220 /nfs/dbraw/zinc/25/02/20/608250220.db2.gz DDCIOCNNPFROON-LBPRGKRZSA-N -1 3 391.819 0.586 20 0 GCADHM CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825247423 608250221 /nfs/dbraw/zinc/25/02/21/608250221.db2.gz DDCIOCNNPFROON-LBPRGKRZSA-N -1 3 391.819 0.586 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@]1(C)CCCOC1 ZINC000824640788 608250641 /nfs/dbraw/zinc/25/06/41/608250641.db2.gz OYQQPAYPUNFLFV-MEDUHNTESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@]1(C)CCCOC1 ZINC000824640788 608250642 /nfs/dbraw/zinc/25/06/42/608250642.db2.gz OYQQPAYPUNFLFV-MEDUHNTESA-N -1 3 394.457 0.219 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000826395036 608252079 /nfs/dbraw/zinc/25/20/79/608252079.db2.gz KMDWPNQYRBGCFI-ZDUSSCGKSA-N -1 3 393.411 0.081 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 ZINC000826395036 608252081 /nfs/dbraw/zinc/25/20/81/608252081.db2.gz KMDWPNQYRBGCFI-ZDUSSCGKSA-N -1 3 393.411 0.081 20 0 GCADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826408428 608252778 /nfs/dbraw/zinc/25/27/78/608252778.db2.gz FTCGCBCCWUTAEL-INIZCTEOSA-N -1 3 385.424 0.980 20 0 GCADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826408428 608252780 /nfs/dbraw/zinc/25/27/80/608252780.db2.gz FTCGCBCCWUTAEL-INIZCTEOSA-N -1 3 385.424 0.980 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826417122 608253387 /nfs/dbraw/zinc/25/33/87/608253387.db2.gz FCZYEJLAPINSHE-HNNXBMFYSA-N -1 3 387.396 0.426 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000826183631 608256148 /nfs/dbraw/zinc/25/61/48/608256148.db2.gz VNZFJYSGRRQEMY-UHFFFAOYSA-N -1 3 395.423 0.934 20 0 GCADHM CC(C)(C)n1nccc1NC(=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000824152334 608257564 /nfs/dbraw/zinc/25/75/64/608257564.db2.gz AUJKREDHPGMTLU-UHFFFAOYSA-N -1 3 398.431 0.380 20 0 GCADHM CC(C)(C)n1nccc1NC(=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000824152334 608257566 /nfs/dbraw/zinc/25/75/66/608257566.db2.gz AUJKREDHPGMTLU-UHFFFAOYSA-N -1 3 398.431 0.380 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825759686 608261879 /nfs/dbraw/zinc/26/18/79/608261879.db2.gz NPFMJAXKONDLCF-UHFFFAOYSA-N -1 3 398.427 0.735 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000825759686 608261880 /nfs/dbraw/zinc/26/18/80/608261880.db2.gz NPFMJAXKONDLCF-UHFFFAOYSA-N -1 3 398.427 0.735 20 0 GCADHM C[C@@H](C(N)=O)N(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000824051618 608268840 /nfs/dbraw/zinc/26/88/40/608268840.db2.gz AMWDOHOQBKKBRC-VIFPVBQESA-N -1 3 377.474 0.941 20 0 GCADHM C[C@@H](C(N)=O)N(C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824051618 608268842 /nfs/dbraw/zinc/26/88/42/608268842.db2.gz AMWDOHOQBKKBRC-VIFPVBQESA-N -1 3 377.474 0.941 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)C(N)=O)cc1-c1nnn[n-]1 ZINC000825532619 608269890 /nfs/dbraw/zinc/26/98/90/608269890.db2.gz VMWMDDACROBTQO-MRVPVSSYSA-N -1 3 376.377 0.773 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H](C)C(N)=O)cc1-c1nn[n-]n1 ZINC000825532619 608269891 /nfs/dbraw/zinc/26/98/91/608269891.db2.gz VMWMDDACROBTQO-MRVPVSSYSA-N -1 3 376.377 0.773 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC000825416029 608270510 /nfs/dbraw/zinc/27/05/10/608270510.db2.gz GTKYOKNOVNAJQB-UHFFFAOYSA-N -1 3 380.478 0.279 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC000825416029 608270511 /nfs/dbraw/zinc/27/05/11/608270511.db2.gz GTKYOKNOVNAJQB-UHFFFAOYSA-N -1 3 380.478 0.279 20 0 GCADHM Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)o1 ZINC000826292679 608299918 /nfs/dbraw/zinc/29/99/18/608299918.db2.gz GZLPYQHQHVEDLL-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM Cc1ccc(S(=O)(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)o1 ZINC000826292679 608299920 /nfs/dbraw/zinc/29/99/20/608299920.db2.gz GZLPYQHQHVEDLL-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM Cc1cccn2c(=O)c(C(=O)NCCNc3ncccc3-c3nnn[n-]3)cnc12 ZINC000826308051 608300169 /nfs/dbraw/zinc/30/01/69/608300169.db2.gz HFYYGNRVEFDMTH-UHFFFAOYSA-N -1 3 391.395 0.420 20 0 GCADHM Cc1cccn2c(=O)c(C(=O)NCCNc3ncccc3-c3nn[n-]n3)cnc12 ZINC000826308051 608300171 /nfs/dbraw/zinc/30/01/71/608300171.db2.gz HFYYGNRVEFDMTH-UHFFFAOYSA-N -1 3 391.395 0.420 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H]1COC2(CCCC2)O1 ZINC000826411988 608302994 /nfs/dbraw/zinc/30/29/94/608302994.db2.gz WVSPRLJRZYOQPS-AWEZNQCLSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H]1COC2(CCCC2)O1 ZINC000826411988 608302996 /nfs/dbraw/zinc/30/29/96/608302996.db2.gz WVSPRLJRZYOQPS-AWEZNQCLSA-N -1 3 386.412 0.398 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826495560 608303774 /nfs/dbraw/zinc/30/37/74/608303774.db2.gz UCDZYBZLLBNTCX-GFCCVEGCSA-N -1 3 382.421 0.101 20 0 GCADHM COC(=O)[C@H]1CN(Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CCO1 ZINC000826134594 608311380 /nfs/dbraw/zinc/31/13/80/608311380.db2.gz YZRXFVVKZAEXFR-OAHLLOKOSA-N -1 3 383.412 0.735 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H](C)CN1Cc1ccccc1 ZINC000824968958 608316551 /nfs/dbraw/zinc/31/65/51/608316551.db2.gz RDOYXBITXBRFFX-ZIAGYGMSSA-N -1 3 381.444 0.580 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H](C)CN1Cc1ccccc1 ZINC000824968958 608316553 /nfs/dbraw/zinc/31/65/53/608316553.db2.gz RDOYXBITXBRFFX-ZIAGYGMSSA-N -1 3 381.444 0.580 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCN(C(=O)[C@@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826332198 608321866 /nfs/dbraw/zinc/32/18/66/608321866.db2.gz MNSBRMAYJHERAU-CQSZACIVSA-N -1 3 396.455 0.386 20 0 GCADHM Cc1sc(NC(=O)CN2CCSC[C@@H]2C(N)=O)c(-c2nnn[n-]2)c1C ZINC000826349751 608322215 /nfs/dbraw/zinc/32/22/15/608322215.db2.gz TUMPPVCWTUHRRP-SECBINFHSA-N -1 3 381.487 0.386 20 0 GCADHM Cc1sc(NC(=O)CN2CCSC[C@@H]2C(N)=O)c(-c2nn[n-]n2)c1C ZINC000826349751 608322217 /nfs/dbraw/zinc/32/22/17/608322217.db2.gz TUMPPVCWTUHRRP-SECBINFHSA-N -1 3 381.487 0.386 20 0 GCADHM O=C1NCCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000826482315 608323460 /nfs/dbraw/zinc/32/34/60/608323460.db2.gz AFIPYPVLAWYNMK-CQSZACIVSA-N -1 3 380.408 0.856 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COc1cccc(C(=O)NCC(N)=O)c1 ZINC000826173098 608323752 /nfs/dbraw/zinc/32/37/52/608323752.db2.gz NCGCIMGNMHLPMT-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COc1cccc(C(=O)NCC(N)=O)c1 ZINC000826173098 608323754 /nfs/dbraw/zinc/32/37/54/608323754.db2.gz NCGCIMGNMHLPMT-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000825470609 608327080 /nfs/dbraw/zinc/32/70/80/608327080.db2.gz FGSMWGUOFBLMDW-UHFFFAOYSA-N -1 3 397.436 0.183 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000825470609 608327082 /nfs/dbraw/zinc/32/70/82/608327082.db2.gz FGSMWGUOFBLMDW-UHFFFAOYSA-N -1 3 397.436 0.183 20 0 GCADHM C[C@H](CN1CCOCC1)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824421741 608327992 /nfs/dbraw/zinc/32/79/92/608327992.db2.gz UMOCEHLSOQKHRI-LLVKDONJSA-N -1 3 384.437 0.146 20 0 GCADHM C[C@H](CN1CCOCC1)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824421741 608327993 /nfs/dbraw/zinc/32/79/93/608327993.db2.gz UMOCEHLSOQKHRI-LLVKDONJSA-N -1 3 384.437 0.146 20 0 GCADHM COCCCN(CCOC)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826156372 608328588 /nfs/dbraw/zinc/32/85/88/608328588.db2.gz ZXZSRJOYSJCUET-UHFFFAOYSA-N -1 3 387.437 0.821 20 0 GCADHM COCCCN(CCOC)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826156372 608328590 /nfs/dbraw/zinc/32/85/90/608328590.db2.gz ZXZSRJOYSJCUET-UHFFFAOYSA-N -1 3 387.437 0.821 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000823993863 608329699 /nfs/dbraw/zinc/32/96/99/608329699.db2.gz AZBPYKFZENMXMZ-GFCCVEGCSA-N -1 3 396.448 0.684 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000823993863 608329700 /nfs/dbraw/zinc/32/97/00/608329700.db2.gz AZBPYKFZENMXMZ-GFCCVEGCSA-N -1 3 396.448 0.684 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826052736 608329888 /nfs/dbraw/zinc/32/98/88/608329888.db2.gz UDCOARAURUFOGW-UHFFFAOYSA-N -1 3 396.448 0.730 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826052736 608329890 /nfs/dbraw/zinc/32/98/90/608329890.db2.gz UDCOARAURUFOGW-UHFFFAOYSA-N -1 3 396.448 0.730 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@H]1COC2(CCCC2)O1 ZINC000826438038 608330571 /nfs/dbraw/zinc/33/05/71/608330571.db2.gz KDIYOJUTDPOAHN-LBPRGKRZSA-N -1 3 388.432 0.659 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@H]1COC2(CCCC2)O1 ZINC000826438038 608330574 /nfs/dbraw/zinc/33/05/74/608330574.db2.gz KDIYOJUTDPOAHN-LBPRGKRZSA-N -1 3 388.432 0.659 20 0 GCADHM CC(C)N1C[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1=O ZINC000824296684 608331366 /nfs/dbraw/zinc/33/13/66/608331366.db2.gz KGAJCTBONZQIQK-LBPRGKRZSA-N -1 3 382.421 0.435 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824214419 608331416 /nfs/dbraw/zinc/33/14/16/608331416.db2.gz GFBJMYRURKUEAP-CYBMUJFWSA-N -1 3 382.421 0.292 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824214419 608331417 /nfs/dbraw/zinc/33/14/17/608331417.db2.gz GFBJMYRURKUEAP-CYBMUJFWSA-N -1 3 382.421 0.292 20 0 GCADHM COC(=O)[C@@](C)([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC000826098949 608333433 /nfs/dbraw/zinc/33/34/33/608333433.db2.gz UTHQIBWEYKGSRV-HNNXBMFYSA-N -1 3 383.405 0.767 20 0 GCADHM CN(CCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)CC(F)(F)F ZINC000825942102 608333562 /nfs/dbraw/zinc/33/35/62/608333562.db2.gz WKCWXJVMSANXGU-UHFFFAOYSA-N -1 3 396.370 0.919 20 0 GCADHM CN(CCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)CC(F)(F)F ZINC000825942102 608333564 /nfs/dbraw/zinc/33/35/64/608333564.db2.gz WKCWXJVMSANXGU-UHFFFAOYSA-N -1 3 396.370 0.919 20 0 GCADHM CSC[C@H](CCO)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826228084 608334739 /nfs/dbraw/zinc/33/47/39/608334739.db2.gz DLYHYDJQDUCELM-NSHDSACASA-N -1 3 375.451 0.539 20 0 GCADHM CSC[C@H](CCO)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826228084 608334741 /nfs/dbraw/zinc/33/47/41/608334741.db2.gz DLYHYDJQDUCELM-NSHDSACASA-N -1 3 375.451 0.539 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NCCSCCCO ZINC000826485930 608335267 /nfs/dbraw/zinc/33/52/67/608335267.db2.gz IYCULVIDOYKJIO-UHFFFAOYSA-N -1 3 375.451 0.541 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCSCCCO ZINC000826485930 608335268 /nfs/dbraw/zinc/33/52/68/608335268.db2.gz IYCULVIDOYKJIO-UHFFFAOYSA-N -1 3 375.451 0.541 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NCCCOC[C@H]1CCOC1 ZINC000826486202 608335338 /nfs/dbraw/zinc/33/53/38/608335338.db2.gz STVUCBLEKIIETQ-GFCCVEGCSA-N -1 3 399.448 0.868 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCCOC[C@H]1CCOC1 ZINC000826486202 608335342 /nfs/dbraw/zinc/33/53/42/608335342.db2.gz STVUCBLEKIIETQ-GFCCVEGCSA-N -1 3 399.448 0.868 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1C ZINC000824706576 608335980 /nfs/dbraw/zinc/33/59/80/608335980.db2.gz JGDYFFNNHWFRGN-NEPJUHHUSA-N -1 3 398.464 0.223 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826160980 608336420 /nfs/dbraw/zinc/33/64/20/608336420.db2.gz ORRUVGLJTLOQJP-LBPRGKRZSA-N -1 3 399.448 0.821 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826160980 608336422 /nfs/dbraw/zinc/33/64/22/608336422.db2.gz ORRUVGLJTLOQJP-LBPRGKRZSA-N -1 3 399.448 0.821 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826390022 608338066 /nfs/dbraw/zinc/33/80/66/608338066.db2.gz OCMGENDKJKILMF-YPMHNXCESA-N -1 3 382.421 0.469 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826390022 608338068 /nfs/dbraw/zinc/33/80/68/608338068.db2.gz OCMGENDKJKILMF-YPMHNXCESA-N -1 3 382.421 0.469 20 0 GCADHM O=C(NCCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)C1CCC1 ZINC000826436945 608338160 /nfs/dbraw/zinc/33/81/60/608338160.db2.gz PTDILAISQQNXQU-UHFFFAOYSA-N -1 3 396.448 0.732 20 0 GCADHM O=C(NCCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C1CCC1 ZINC000826436945 608338161 /nfs/dbraw/zinc/33/81/61/608338161.db2.gz PTDILAISQQNXQU-UHFFFAOYSA-N -1 3 396.448 0.732 20 0 GCADHM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826480017 608338216 /nfs/dbraw/zinc/33/82/16/608338216.db2.gz OVCHVMPGCKJDQR-NEPJUHHUSA-N -1 3 380.405 0.189 20 0 GCADHM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826480017 608338218 /nfs/dbraw/zinc/33/82/18/608338218.db2.gz OVCHVMPGCKJDQR-NEPJUHHUSA-N -1 3 380.405 0.189 20 0 GCADHM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826390019 608338254 /nfs/dbraw/zinc/33/82/54/608338254.db2.gz OCMGENDKJKILMF-AAEUAGOBSA-N -1 3 382.421 0.469 20 0 GCADHM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826390019 608338256 /nfs/dbraw/zinc/33/82/56/608338256.db2.gz OCMGENDKJKILMF-AAEUAGOBSA-N -1 3 382.421 0.469 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NC[C@H]1CCCS1(=O)=O ZINC000826485956 608339812 /nfs/dbraw/zinc/33/98/12/608339812.db2.gz JQOKICPZPWLPJR-LLVKDONJSA-N -1 3 389.434 0.002 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CN(C)CCO1 ZINC000824633938 608340251 /nfs/dbraw/zinc/34/02/51/608340251.db2.gz RWQDJQNSMSMFIL-QMTHXVAHSA-N -1 3 384.437 0.144 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CCc2c[nH]nc2C1 ZINC000826486128 608340326 /nfs/dbraw/zinc/34/03/26/608340326.db2.gz QBXFGAPRWOJLPZ-GFCCVEGCSA-N -1 3 377.405 0.706 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC(OCCO)CC1 ZINC000826485515 608341262 /nfs/dbraw/zinc/34/12/62/608341262.db2.gz UEFKBJZAEORHDG-UHFFFAOYSA-N -1 3 385.421 0.309 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC(OCCO)CC1 ZINC000826485515 608341264 /nfs/dbraw/zinc/34/12/64/608341264.db2.gz UEFKBJZAEORHDG-UHFFFAOYSA-N -1 3 385.421 0.309 20 0 GCADHM CCC[C@H]1C(=O)NCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825247695 608341918 /nfs/dbraw/zinc/34/19/18/608341918.db2.gz GDMBPXQPSVRDRA-ZDUSSCGKSA-N -1 3 382.421 0.436 20 0 GCADHM CCC[C@H]1C(=O)NCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825247695 608341920 /nfs/dbraw/zinc/34/19/20/608341920.db2.gz GDMBPXQPSVRDRA-ZDUSSCGKSA-N -1 3 382.421 0.436 20 0 GCADHM CCC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1CCOC ZINC000825259603 608342612 /nfs/dbraw/zinc/34/26/12/608342612.db2.gz JSVDOFLPGRYWGH-OAHLLOKOSA-N -1 3 394.501 0.988 20 0 GCADHM CCC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1CCOC ZINC000825259603 608342614 /nfs/dbraw/zinc/34/26/14/608342614.db2.gz JSVDOFLPGRYWGH-OAHLLOKOSA-N -1 3 394.501 0.988 20 0 GCADHM O=S(=O)(N[C@H](CO)Cc1ccc(F)cc1)c1ccccc1-c1nnn[n-]1 ZINC000826487151 608344724 /nfs/dbraw/zinc/34/47/24/608344724.db2.gz FPEGXIAWFUEFPV-ZDUSSCGKSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(N[C@H](CO)Cc1ccc(F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000826487151 608344725 /nfs/dbraw/zinc/34/47/25/608344725.db2.gz FPEGXIAWFUEFPV-ZDUSSCGKSA-N -1 3 377.401 0.888 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCN1C(=O)CN(C)C1=O ZINC000826171366 608346630 /nfs/dbraw/zinc/34/66/30/608346630.db2.gz LKZDMXUDSYIKAL-UHFFFAOYSA-N -1 3 388.384 0.593 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCN1C(=O)CN(C)C1=O ZINC000826171366 608346632 /nfs/dbraw/zinc/34/66/32/608346632.db2.gz LKZDMXUDSYIKAL-UHFFFAOYSA-N -1 3 388.384 0.593 20 0 GCADHM CCN(C(=O)Cn1ncn2nccc2c1=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376696 608347562 /nfs/dbraw/zinc/34/75/62/608347562.db2.gz LILFUGMJPLZTGT-UHFFFAOYSA-N -1 3 399.802 0.778 20 0 GCADHM CCN(C(=O)Cn1ncn2nccc2c1=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376696 608347563 /nfs/dbraw/zinc/34/75/63/608347563.db2.gz LILFUGMJPLZTGT-UHFFFAOYSA-N -1 3 399.802 0.778 20 0 GCADHM COCCCOC1CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826156818 608352297 /nfs/dbraw/zinc/35/22/97/608352297.db2.gz UZWKKMLVDOBUOY-UHFFFAOYSA-N -1 3 376.421 0.121 20 0 GCADHM COCCCOC1CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826156818 608352299 /nfs/dbraw/zinc/35/22/99/608352299.db2.gz UZWKKMLVDOBUOY-UHFFFAOYSA-N -1 3 376.421 0.121 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccc3nccn3c2)cc1-c1nnn[n-]1 ZINC000826196107 608358937 /nfs/dbraw/zinc/35/89/37/608358937.db2.gz PZWJJIOKFREKQV-UHFFFAOYSA-N -1 3 392.379 0.778 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccc3nccn3c2)cc1-c1nn[n-]n1 ZINC000826196107 608358940 /nfs/dbraw/zinc/35/89/40/608358940.db2.gz PZWJJIOKFREKQV-UHFFFAOYSA-N -1 3 392.379 0.778 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000826172279 608359230 /nfs/dbraw/zinc/35/92/30/608359230.db2.gz WWQXSBPJYVYLDO-UHFFFAOYSA-N -1 3 395.379 0.806 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000826172279 608359231 /nfs/dbraw/zinc/35/92/31/608359231.db2.gz WWQXSBPJYVYLDO-UHFFFAOYSA-N -1 3 395.379 0.806 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(Cc2nnc(C)n2C)CC1 ZINC000826169560 608359824 /nfs/dbraw/zinc/35/98/24/608359824.db2.gz WZGKLRCITKWESM-UHFFFAOYSA-N -1 3 383.460 0.630 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(Cc2nnc(C)n2C)CC1 ZINC000826169560 608359826 /nfs/dbraw/zinc/35/98/26/608359826.db2.gz WZGKLRCITKWESM-UHFFFAOYSA-N -1 3 383.460 0.630 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1-c1nnn[n-]1 ZINC000826298810 608360181 /nfs/dbraw/zinc/36/01/81/608360181.db2.gz HTHSAVSMIXCZHN-CABCVRRESA-N -1 3 399.455 0.171 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1-c1nn[n-]n1 ZINC000826298810 608360183 /nfs/dbraw/zinc/36/01/83/608360183.db2.gz HTHSAVSMIXCZHN-CABCVRRESA-N -1 3 399.455 0.171 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(C3OCCO3)CC2)cccc1-c1nnn[n-]1 ZINC000826240701 608360455 /nfs/dbraw/zinc/36/04/55/608360455.db2.gz DXNSOVMDIWGGTG-UHFFFAOYSA-N -1 3 386.412 0.725 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(C3OCCO3)CC2)cccc1-c1nn[n-]n1 ZINC000826240701 608360456 /nfs/dbraw/zinc/36/04/56/608360456.db2.gz DXNSOVMDIWGGTG-UHFFFAOYSA-N -1 3 386.412 0.725 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)CC1(C)OCCO1 ZINC000824420549 608360583 /nfs/dbraw/zinc/36/05/83/608360583.db2.gz MIEGJTUHUNZNRP-SNVBAGLBSA-N -1 3 392.391 0.850 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)CC1(C)OCCO1 ZINC000824420549 608360585 /nfs/dbraw/zinc/36/05/85/608360585.db2.gz MIEGJTUHUNZNRP-SNVBAGLBSA-N -1 3 392.391 0.850 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)CC1(C)OCCO1 ZINC000824419638 608360668 /nfs/dbraw/zinc/36/06/68/608360668.db2.gz AXWDUBSJBOZUDI-SNVBAGLBSA-N -1 3 392.391 0.850 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)CC1(C)OCCO1 ZINC000824419638 608360670 /nfs/dbraw/zinc/36/06/70/608360670.db2.gz AXWDUBSJBOZUDI-SNVBAGLBSA-N -1 3 392.391 0.850 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000826453629 608360872 /nfs/dbraw/zinc/36/08/72/608360872.db2.gz SHKQBAWZYIYQMM-JTQLQIEISA-N -1 3 390.375 0.556 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000826453629 608360874 /nfs/dbraw/zinc/36/08/74/608360874.db2.gz SHKQBAWZYIYQMM-JTQLQIEISA-N -1 3 390.375 0.556 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCCC2(C1)OCCO2 ZINC000826452901 608362082 /nfs/dbraw/zinc/36/20/82/608362082.db2.gz NSMHXCOKYDWNSY-UHFFFAOYSA-N -1 3 392.803 0.824 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCCC2(C1)OCCO2 ZINC000826452901 608362083 /nfs/dbraw/zinc/36/20/83/608362083.db2.gz NSMHXCOKYDWNSY-UHFFFAOYSA-N -1 3 392.803 0.824 20 0 GCADHM COCCCOCCN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826156748 608364297 /nfs/dbraw/zinc/36/42/97/608364297.db2.gz RWTUDCNXIWZXDX-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM COCCCOCCN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826156748 608364298 /nfs/dbraw/zinc/36/42/98/608364298.db2.gz RWTUDCNXIWZXDX-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cccc1-c1nnn[n-]1 ZINC000826241198 608364307 /nfs/dbraw/zinc/36/43/07/608364307.db2.gz UWWDCTHMRGUBEO-LBPRGKRZSA-N -1 3 386.412 0.916 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cccc1-c1nn[n-]n1 ZINC000826241198 608364308 /nfs/dbraw/zinc/36/43/08/608364308.db2.gz UWWDCTHMRGUBEO-LBPRGKRZSA-N -1 3 386.412 0.916 20 0 GCADHM O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826434939 608364530 /nfs/dbraw/zinc/36/45/30/608364530.db2.gz BTNUBKSEKVXKAA-LLVKDONJSA-N -1 3 390.375 0.746 20 0 GCADHM O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826434939 608364532 /nfs/dbraw/zinc/36/45/32/608364532.db2.gz BTNUBKSEKVXKAA-LLVKDONJSA-N -1 3 390.375 0.746 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000826138254 608364624 /nfs/dbraw/zinc/36/46/24/608364624.db2.gz MHQRNFAASRSLSO-UHFFFAOYSA-N -1 3 390.444 0.183 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000826138254 608364627 /nfs/dbraw/zinc/36/46/27/608364627.db2.gz MHQRNFAASRSLSO-UHFFFAOYSA-N -1 3 390.444 0.183 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2ccc(-n3cncn3)cc2)c(-c2nnn[n-]2)c1 ZINC000826395233 608368439 /nfs/dbraw/zinc/36/84/39/608368439.db2.gz SNCCYJCDGQLCMG-UHFFFAOYSA-N -1 3 397.424 0.707 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2ccc(-n3cncn3)cc2)c(-c2nn[n-]n2)c1 ZINC000826395233 608368441 /nfs/dbraw/zinc/36/84/41/608368441.db2.gz SNCCYJCDGQLCMG-UHFFFAOYSA-N -1 3 397.424 0.707 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)NCC(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824108637 608376363 /nfs/dbraw/zinc/37/63/63/608376363.db2.gz HQEHTOGBCXWAOH-UHFFFAOYSA-N -1 3 390.400 0.551 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)NCC(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824108637 608376365 /nfs/dbraw/zinc/37/63/65/608376365.db2.gz HQEHTOGBCXWAOH-UHFFFAOYSA-N -1 3 390.400 0.551 20 0 GCADHM CC(=O)C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823968057 608381476 /nfs/dbraw/zinc/38/14/76/608381476.db2.gz ULNODZBOUQAIGN-KOLCDFICSA-N -1 3 380.430 0.017 20 0 GCADHM CC(=O)C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823968057 608381478 /nfs/dbraw/zinc/38/14/78/608381478.db2.gz ULNODZBOUQAIGN-KOLCDFICSA-N -1 3 380.430 0.017 20 0 GCADHM CN(CC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCSC1 ZINC000825898070 608382517 /nfs/dbraw/zinc/38/25/17/608382517.db2.gz XWKLUKRCRDOZIL-OCCSQVGLSA-N -1 3 376.442 0.374 20 0 GCADHM CN(CC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000825898070 608382519 /nfs/dbraw/zinc/38/25/19/608382519.db2.gz XWKLUKRCRDOZIL-OCCSQVGLSA-N -1 3 376.442 0.374 20 0 GCADHM Nc1cc(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cnc1Cl ZINC000826395908 608383302 /nfs/dbraw/zinc/38/33/02/608383302.db2.gz YCURACYRPKOPKL-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Nc1cc(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cnc1Cl ZINC000826395908 608383303 /nfs/dbraw/zinc/38/33/03/608383303.db2.gz YCURACYRPKOPKL-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000824301410 608383819 /nfs/dbraw/zinc/38/38/19/608383819.db2.gz YHDFJJVYISMOLC-UHFFFAOYSA-N -1 3 375.408 0.175 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000824301410 608383821 /nfs/dbraw/zinc/38/38/21/608383821.db2.gz YHDFJJVYISMOLC-UHFFFAOYSA-N -1 3 375.408 0.175 20 0 GCADHM CS(=O)(=O)CCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826222792 608402032 /nfs/dbraw/zinc/40/20/32/608402032.db2.gz NCVGFFOILFEFKX-UHFFFAOYSA-N -1 3 376.442 0.710 20 0 GCADHM CS(=O)(=O)CCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826222792 608402034 /nfs/dbraw/zinc/40/20/34/608402034.db2.gz NCVGFFOILFEFKX-UHFFFAOYSA-N -1 3 376.442 0.710 20 0 GCADHM CCc1nc(N)nc(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825750721 608413862 /nfs/dbraw/zinc/41/38/62/608413862.db2.gz WEHFFAXOUYLRAB-UHFFFAOYSA-N -1 3 392.470 0.762 20 0 GCADHM CCc1nc(N)nc(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825750721 608413863 /nfs/dbraw/zinc/41/38/63/608413863.db2.gz WEHFFAXOUYLRAB-UHFFFAOYSA-N -1 3 392.470 0.762 20 0 GCADHM O=C(NCCc1cnccn1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826439821 608414089 /nfs/dbraw/zinc/41/40/89/608414089.db2.gz LPGZJOMZDGTTBE-UHFFFAOYSA-N -1 3 394.443 0.562 20 0 GCADHM O=C(NCCc1cnccn1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826439821 608414090 /nfs/dbraw/zinc/41/40/90/608414090.db2.gz LPGZJOMZDGTTBE-UHFFFAOYSA-N -1 3 394.443 0.562 20 0 GCADHM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)O1 ZINC000825839921 608418532 /nfs/dbraw/zinc/41/85/32/608418532.db2.gz LNGAPKKYVVBMTC-OCCSQVGLSA-N -1 3 391.407 0.441 20 0 GCADHM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)O1 ZINC000825839921 608418533 /nfs/dbraw/zinc/41/85/33/608418533.db2.gz LNGAPKKYVVBMTC-OCCSQVGLSA-N -1 3 391.407 0.441 20 0 GCADHM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)O1 ZINC000825839919 608418576 /nfs/dbraw/zinc/41/85/76/608418576.db2.gz LNGAPKKYVVBMTC-GXTWGEPZSA-N -1 3 391.407 0.441 20 0 GCADHM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)O1 ZINC000825839919 608418577 /nfs/dbraw/zinc/41/85/77/608418577.db2.gz LNGAPKKYVVBMTC-GXTWGEPZSA-N -1 3 391.407 0.441 20 0 GCADHM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)O1 ZINC000825840833 608420366 /nfs/dbraw/zinc/42/03/66/608420366.db2.gz RCEOJEOPMFMOKM-JSGCOSHPSA-N -1 3 391.407 0.441 20 0 GCADHM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)O1 ZINC000825840833 608420367 /nfs/dbraw/zinc/42/03/67/608420367.db2.gz RCEOJEOPMFMOKM-JSGCOSHPSA-N -1 3 391.407 0.441 20 0 GCADHM CN(C)C(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cn1C ZINC000825846000 608421546 /nfs/dbraw/zinc/42/15/46/608421546.db2.gz PCHRKNNCUDXNHJ-UHFFFAOYSA-N -1 3 394.388 0.814 20 0 GCADHM CN(C)C(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cn1C ZINC000825846000 608421548 /nfs/dbraw/zinc/42/15/48/608421548.db2.gz PCHRKNNCUDXNHJ-UHFFFAOYSA-N -1 3 394.388 0.814 20 0 GCADHM CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826145188 608421847 /nfs/dbraw/zinc/42/18/47/608421847.db2.gz BGEVCSZOROXLJX-UKRRQHHQSA-N -1 3 386.460 0.908 20 0 GCADHM CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826145188 608421849 /nfs/dbraw/zinc/42/18/49/608421849.db2.gz BGEVCSZOROXLJX-UKRRQHHQSA-N -1 3 386.460 0.908 20 0 GCADHM O=C(NCCc1cnccn1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826440061 608422900 /nfs/dbraw/zinc/42/29/00/608422900.db2.gz WTCPKJQDIAAKPY-UHFFFAOYSA-N -1 3 393.455 0.727 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1-c1nnn[n-]1 ZINC000826302748 608423847 /nfs/dbraw/zinc/42/38/47/608423847.db2.gz RIAJADOFHIHHTP-VXGBXAGGSA-N -1 3 394.457 0.089 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1-c1nn[n-]n1 ZINC000826302748 608423848 /nfs/dbraw/zinc/42/38/48/608423848.db2.gz 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396.459 0.444 20 0 GCADHM c1nn2c(c1-c1nn[n-]n1)NC[C@H](CNc1cccc(CN3CCOCC3)n1)C2 ZINC000826515619 608452184 /nfs/dbraw/zinc/45/21/84/608452184.db2.gz FEBQCUXJKHXBNM-ZDUSSCGKSA-N -1 3 396.459 0.444 20 0 GCADHM C[C@@H](C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)N1CCSCC1 ZINC000824051994 608452546 /nfs/dbraw/zinc/45/25/46/608452546.db2.gz KEZUFOHPNNSPEM-NSHDSACASA-N -1 3 376.442 0.786 20 0 GCADHM C[C@@H](C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)N1CCSCC1 ZINC000824051994 608452548 /nfs/dbraw/zinc/45/25/48/608452548.db2.gz KEZUFOHPNNSPEM-NSHDSACASA-N -1 3 376.442 0.786 20 0 GCADHM CCN1CCOC[C@H]1C(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000825465531 608455045 /nfs/dbraw/zinc/45/50/45/608455045.db2.gz MQSQULZHBPOMHH-NWDGAFQWSA-N -1 3 392.441 0.297 20 0 GCADHM CCN1CCOC[C@H]1C(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000825465531 608455046 /nfs/dbraw/zinc/45/50/46/608455046.db2.gz MQSQULZHBPOMHH-NWDGAFQWSA-N -1 3 392.441 0.297 20 0 GCADHM COC(=O)[C@]1(NCC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CCOC1 ZINC000826123222 608458366 /nfs/dbraw/zinc/45/83/66/608458366.db2.gz ADPCUPDUOVSLQJ-HNNXBMFYSA-N -1 3 380.430 0.405 20 0 GCADHM COC(=O)[C@]1(NCC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CCOC1 ZINC000826123222 608458368 /nfs/dbraw/zinc/45/83/68/608458368.db2.gz ADPCUPDUOVSLQJ-HNNXBMFYSA-N -1 3 380.430 0.405 20 0 GCADHM C[C@H](NC(=O)CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(=O)N(C)C ZINC000824477922 608462075 /nfs/dbraw/zinc/46/20/75/608462075.db2.gz CWLUDOIZHLHBTL-ZDUSSCGKSA-N -1 3 383.456 0.549 20 0 GCADHM C[C@H](NC(=O)CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(=O)N(C)C ZINC000824477922 608462077 /nfs/dbraw/zinc/46/20/77/608462077.db2.gz CWLUDOIZHLHBTL-ZDUSSCGKSA-N -1 3 383.456 0.549 20 0 GCADHM CC(C)C(=O)NCCN(C)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824185402 608467598 /nfs/dbraw/zinc/46/75/98/608467598.db2.gz YRZYTSXXVWZDDR-UHFFFAOYSA-N -1 3 380.474 0.344 20 0 GCADHM CC(C)C(=O)NCCN(C)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824185402 608467599 /nfs/dbraw/zinc/46/75/99/608467599.db2.gz YRZYTSXXVWZDDR-UHFFFAOYSA-N -1 3 380.474 0.344 20 0 GCADHM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)O1 ZINC000825840473 608478809 /nfs/dbraw/zinc/47/88/09/608478809.db2.gz PJECFZNAZPJIIC-GXFFZTMASA-N -1 3 377.380 0.763 20 0 GCADHM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)O1 ZINC000825840473 608478811 /nfs/dbraw/zinc/47/88/11/608478811.db2.gz PJECFZNAZPJIIC-GXFFZTMASA-N -1 3 377.380 0.763 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000824288360 608490954 /nfs/dbraw/zinc/49/09/54/608490954.db2.gz DOEVUFFWUIMFPY-UHFFFAOYSA-N -1 3 384.437 0.970 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000824288360 608490955 /nfs/dbraw/zinc/49/09/55/608490955.db2.gz DOEVUFFWUIMFPY-UHFFFAOYSA-N -1 3 384.437 0.970 20 0 GCADHM COc1ccc(CNC(=O)N2CCCS(=O)(=O)CC2)cc1-c1nnn[n-]1 ZINC000826197818 608493229 /nfs/dbraw/zinc/49/32/29/608493229.db2.gz DUWNIPRPPIRUFI-UHFFFAOYSA-N -1 3 380.430 0.205 20 0 GCADHM COc1ccc(CNC(=O)N2CCCS(=O)(=O)CC2)cc1-c1nn[n-]n1 ZINC000826197818 608493230 /nfs/dbraw/zinc/49/32/30/608493230.db2.gz DUWNIPRPPIRUFI-UHFFFAOYSA-N -1 3 380.430 0.205 20 0 GCADHM O=C(CN1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1)N1CCCC1 ZINC000826411026 608505488 /nfs/dbraw/zinc/50/54/88/608505488.db2.gz IDVUJWIPPVFEOK-UHFFFAOYSA-N -1 3 395.471 0.254 20 0 GCADHM O=C(CN1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1)N1CCCC1 ZINC000826411026 608505489 /nfs/dbraw/zinc/50/54/89/608505489.db2.gz IDVUJWIPPVFEOK-UHFFFAOYSA-N -1 3 395.471 0.254 20 0 GCADHM Cc1n[nH]cc1CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826322522 608507634 /nfs/dbraw/zinc/50/76/34/608507634.db2.gz QJOXFTHTXPTSPW-UHFFFAOYSA-N -1 3 388.457 0.405 20 0 GCADHM Cn1cccc1C(=O)N1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000826363481 608509385 /nfs/dbraw/zinc/50/93/85/608509385.db2.gz OEOPSUUXZJDISM-UHFFFAOYSA-N -1 3 391.439 0.811 20 0 GCADHM Cn1cccc1C(=O)N1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000826363481 608509386 /nfs/dbraw/zinc/50/93/86/608509386.db2.gz OEOPSUUXZJDISM-UHFFFAOYSA-N -1 3 391.439 0.811 20 0 GCADHM Cc1nn(C)c(N(C)C)c1CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826334140 608516948 /nfs/dbraw/zinc/51/69/48/608516948.db2.gz JNKCNXLDJWEUSY-UHFFFAOYSA-N -1 3 382.476 0.692 20 0 GCADHM Cc1nn(C)c(N(C)C)c1CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826334140 608516950 /nfs/dbraw/zinc/51/69/50/608516950.db2.gz JNKCNXLDJWEUSY-UHFFFAOYSA-N -1 3 382.476 0.692 20 0 GCADHM COCCN1CCN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)CC1=O ZINC000826159524 608546587 /nfs/dbraw/zinc/54/65/87/608546587.db2.gz IVSAZAWMXJDGAS-UHFFFAOYSA-N -1 3 382.428 0.478 20 0 GCADHM COCCN1CCN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)CC1=O ZINC000826159524 608546588 /nfs/dbraw/zinc/54/65/88/608546588.db2.gz IVSAZAWMXJDGAS-UHFFFAOYSA-N -1 3 382.428 0.478 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(CCCOc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826359882 608546620 /nfs/dbraw/zinc/54/66/20/608546620.db2.gz RYYYMLLTQKEPJA-SFHVURJKSA-N -1 3 396.411 0.836 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000826278281 608549333 /nfs/dbraw/zinc/54/93/33/608549333.db2.gz WOBGVPJRGGZZRR-NSHDSACASA-N -1 3 379.446 0.708 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000826278281 608549335 /nfs/dbraw/zinc/54/93/35/608549335.db2.gz WOBGVPJRGGZZRR-NSHDSACASA-N -1 3 379.446 0.708 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826394760 608549821 /nfs/dbraw/zinc/54/98/21/608549821.db2.gz XWLLPVSWWACPNY-SECBINFHSA-N -1 3 385.837 0.805 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826394760 608549823 /nfs/dbraw/zinc/54/98/23/608549823.db2.gz XWLLPVSWWACPNY-SECBINFHSA-N -1 3 385.837 0.805 20 0 GCADHM COCCN1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1=O ZINC000826159622 608555314 /nfs/dbraw/zinc/55/53/14/608555314.db2.gz LQSHSXDRINVCQM-UHFFFAOYSA-N -1 3 389.366 0.988 20 0 GCADHM COCCN1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1=O ZINC000826159622 608555316 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LKOQPJKYJQBVKE-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826394473 608762653 /nfs/dbraw/zinc/76/26/53/608762653.db2.gz LKOQPJKYJQBVKE-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NS(=O)(=O)c1ccc(O)c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000826394830 608766654 /nfs/dbraw/zinc/76/66/54/608766654.db2.gz AVTROBAUIWFGMP-UHFFFAOYSA-N -1 3 393.356 0.716 20 0 GCADHM NS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826394934 608767066 /nfs/dbraw/zinc/76/70/66/608767066.db2.gz FQUPMZXXYOHCPP-UHFFFAOYSA-N -1 3 393.356 0.716 20 0 GCADHM NS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826394934 608767067 /nfs/dbraw/zinc/76/70/67/608767067.db2.gz FQUPMZXXYOHCPP-UHFFFAOYSA-N -1 3 393.356 0.716 20 0 GCADHM O=C(COC(=O)C1(N2CCOCC2)CCC1)Nc1sccc1-c1nnn[n-]1 ZINC000826414760 608767310 /nfs/dbraw/zinc/76/73/10/608767310.db2.gz HSTFQVGQGPCZGC-UHFFFAOYSA-N -1 3 392.441 0.665 20 0 GCADHM O=C(COC(=O)C1(N2CCOCC2)CCC1)Nc1sccc1-c1nn[n-]n1 ZINC000826414760 608767312 /nfs/dbraw/zinc/76/73/12/608767312.db2.gz HSTFQVGQGPCZGC-UHFFFAOYSA-N -1 3 392.441 0.665 20 0 GCADHM CC1CCN(S(=O)(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)CC1 ZINC000824962140 608771520 /nfs/dbraw/zinc/77/15/20/608771520.db2.gz OUSLHLQOXKGAQK-UHFFFAOYSA-N -1 3 392.489 0.360 20 0 GCADHM CC1CCN(S(=O)(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)CC1 ZINC000824962140 608771521 /nfs/dbraw/zinc/77/15/21/608771521.db2.gz OUSLHLQOXKGAQK-UHFFFAOYSA-N -1 3 392.489 0.360 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000824884374 608825174 /nfs/dbraw/zinc/82/51/74/608825174.db2.gz NVFKVJDZQHWCGI-NTZNESFSSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000824884374 608825176 /nfs/dbraw/zinc/82/51/76/608825176.db2.gz NVFKVJDZQHWCGI-NTZNESFSSA-N -1 3 394.457 0.217 20 0 GCADHM COC(=O)C1(O)CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000826124456 608827981 /nfs/dbraw/zinc/82/79/81/608827981.db2.gz RJWFVQUITXRLKT-LLVKDONJSA-N -1 3 375.385 0.161 20 0 GCADHM COC(=O)C1(O)CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000826124456 608827984 /nfs/dbraw/zinc/82/79/84/608827984.db2.gz RJWFVQUITXRLKT-LLVKDONJSA-N -1 3 375.385 0.161 20 0 GCADHM CN(C)C(=O)NCCN(C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825938737 608828311 /nfs/dbraw/zinc/82/83/11/608828311.db2.gz XZNBARHRNBVHEC-UHFFFAOYSA-N -1 3 380.840 0.662 20 0 GCADHM CN(C)C(=O)NCCN(C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825938737 608828313 /nfs/dbraw/zinc/82/83/13/608828313.db2.gz XZNBARHRNBVHEC-UHFFFAOYSA-N -1 3 380.840 0.662 20 0 GCADHM COC(=O)C1(O)CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826123579 608828439 /nfs/dbraw/zinc/82/84/39/608828439.db2.gz HBAXNWZPQVSEQO-LLVKDONJSA-N -1 3 375.385 0.161 20 0 GCADHM Cc1sc(NC(=O)CN(C)CCNC(=O)N(C)C)c(-c2nnn[n-]2)c1C ZINC000826349717 608829099 /nfs/dbraw/zinc/82/90/99/608829099.db2.gz RWRMEMKGWBFDTK-UHFFFAOYSA-N -1 3 380.478 0.687 20 0 GCADHM Cc1sc(NC(=O)CN(C)CCNC(=O)N(C)C)c(-c2nn[n-]n2)c1C ZINC000826349717 608829102 /nfs/dbraw/zinc/82/91/02/608829102.db2.gz RWRMEMKGWBFDTK-UHFFFAOYSA-N -1 3 380.478 0.687 20 0 GCADHM CN(C)C(=O)NCCN(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000825846350 608863613 /nfs/dbraw/zinc/86/36/13/608863613.db2.gz XOSYFPXJLCBWLQ-UHFFFAOYSA-N -1 3 377.474 0.830 20 0 GCADHM CN(C)C(=O)NCCN(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000825846350 608863616 /nfs/dbraw/zinc/86/36/16/608863616.db2.gz XOSYFPXJLCBWLQ-UHFFFAOYSA-N -1 3 377.474 0.830 20 0 GCADHM Cc1noc(CCC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826339693 609134246 /nfs/dbraw/zinc/13/42/46/609134246.db2.gz OYVMXDGLWXIYOW-AWEZNQCLSA-N -1 3 396.411 0.803 20 0 GCADHM Cc1noc(CCC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826339693 609134249 /nfs/dbraw/zinc/13/42/49/609134249.db2.gz OYVMXDGLWXIYOW-AWEZNQCLSA-N -1 3 396.411 0.803 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826429873 609136761 /nfs/dbraw/zinc/13/67/61/609136761.db2.gz OVOUDLVCFWTGML-JJXSEGSLSA-N -1 3 382.424 0.903 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826429873 609136762 /nfs/dbraw/zinc/13/67/62/609136762.db2.gz OVOUDLVCFWTGML-JJXSEGSLSA-N -1 3 382.424 0.903 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(OC)c(-c3nnn[n-]3)c2)[C@H](C(=O)OC)C1 ZINC000826133249 609144494 /nfs/dbraw/zinc/14/44/94/609144494.db2.gz KYANNDYIEJDDGZ-OCCSQVGLSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(OC)c(-c3nn[n-]n3)c2)[C@H](C(=O)OC)C1 ZINC000826133249 609144496 /nfs/dbraw/zinc/14/44/96/609144496.db2.gz KYANNDYIEJDDGZ-OCCSQVGLSA-N -1 3 389.412 0.802 20 0 GCADHM Cc1nnc(-c2ccccc2C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)o1 ZINC000826335715 609144987 /nfs/dbraw/zinc/14/49/87/609144987.db2.gz YKYPKIGIRZICNL-UHFFFAOYSA-N -1 3 381.356 0.861 20 0 GCADHM Cc1nnc(-c2ccccc2C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)o1 ZINC000826335715 609144988 /nfs/dbraw/zinc/14/49/88/609144988.db2.gz YKYPKIGIRZICNL-UHFFFAOYSA-N -1 3 381.356 0.861 20 0 GCADHM C[C@H](O)[C@@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000824686331 609145670 /nfs/dbraw/zinc/14/56/70/609145670.db2.gz BNIWQFBQZUPMKM-QWHCGFSZSA-N -1 3 382.428 0.694 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258892 609154973 /nfs/dbraw/zinc/15/49/73/609154973.db2.gz ANMBPMJADXNPLJ-ZDUSSCGKSA-N -1 3 390.411 0.697 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCc3ncnn3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258892 609154975 /nfs/dbraw/zinc/15/49/75/609154975.db2.gz ANMBPMJADXNPLJ-ZDUSSCGKSA-N -1 3 390.411 0.697 20 0 GCADHM Cc1cc(C(=O)NC[C@@]2(O)CCSC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259114 609161950 /nfs/dbraw/zinc/16/19/50/609161950.db2.gz HZSDONJUEWQOEP-KRWDZBQOSA-N -1 3 385.453 0.959 20 0 GCADHM Cc1cc(C(=O)NC[C@@]2(O)CCSC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259114 609161952 /nfs/dbraw/zinc/16/19/52/609161952.db2.gz HZSDONJUEWQOEP-KRWDZBQOSA-N -1 3 385.453 0.959 20 0 GCADHM Cc1cc(C(=O)N2CCn3nc(C)nc3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826329331 609162271 /nfs/dbraw/zinc/16/22/71/609162271.db2.gz YQAAOXQQEPUHTO-UHFFFAOYSA-N -1 3 390.411 0.917 20 0 GCADHM Cc1cc(C(=O)N2CCn3nc(C)nc3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826329331 609162273 /nfs/dbraw/zinc/16/22/73/609162273.db2.gz YQAAOXQQEPUHTO-UHFFFAOYSA-N -1 3 390.411 0.917 20 0 GCADHM Cc1cc(C(=O)NCCNC(=O)N(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259380 609167929 /nfs/dbraw/zinc/16/79/29/609167929.db2.gz QFSVCFOZMFSTLQ-UHFFFAOYSA-N -1 3 383.416 0.362 20 0 GCADHM Cc1cc(C(=O)NCCNC(=O)N(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259380 609167930 /nfs/dbraw/zinc/16/79/30/609167930.db2.gz QFSVCFOZMFSTLQ-UHFFFAOYSA-N -1 3 383.416 0.362 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@@H]2CCCO2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559546 609169108 /nfs/dbraw/zinc/16/91/08/609169108.db2.gz HFBUNIZYZYXMOV-NSHDSACASA-N -1 3 392.416 0.999 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@@H]2CCCO2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559546 609169110 /nfs/dbraw/zinc/16/91/10/609169110.db2.gz HFBUNIZYZYXMOV-NSHDSACASA-N -1 3 392.416 0.999 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCOC2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560184 609169230 /nfs/dbraw/zinc/16/92/30/609169230.db2.gz OCYISTLCUGUEHL-JTQLQIEISA-N -1 3 378.389 0.466 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCOC2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560184 609169231 /nfs/dbraw/zinc/16/92/31/609169231.db2.gz OCYISTLCUGUEHL-JTQLQIEISA-N -1 3 378.389 0.466 20 0 GCADHM CCOC(=O)c1c(NC(=O)C2CCOCC2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559600 609169367 /nfs/dbraw/zinc/16/93/67/609169367.db2.gz IYBURNDUJXQDQC-UHFFFAOYSA-N -1 3 392.416 0.856 20 0 GCADHM CCOC(=O)c1c(NC(=O)C2CCOCC2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559600 609169368 /nfs/dbraw/zinc/16/93/68/609169368.db2.gz IYBURNDUJXQDQC-UHFFFAOYSA-N -1 3 392.416 0.856 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000824172974 609174631 /nfs/dbraw/zinc/17/46/31/609174631.db2.gz RXTZFTIBAZTMOB-UHFFFAOYSA-N -1 3 384.400 0.293 20 0 GCADHM O=C(NCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccn[nH]1 ZINC000826437560 609175906 /nfs/dbraw/zinc/17/59/06/609175906.db2.gz QOQYTWNUOHBGJT-HNNXBMFYSA-N -1 3 395.427 0.105 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000826341122 609176095 /nfs/dbraw/zinc/17/60/95/609176095.db2.gz XLBFCXUZYKBQFW-UHFFFAOYSA-N -1 3 395.383 0.442 20 0 GCADHM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826434568 609177737 /nfs/dbraw/zinc/17/77/37/609177737.db2.gz QNBVENLIYYTZQQ-SUMWQHHRSA-N -1 3 395.467 0.963 20 0 GCADHM CCC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825034970 609178525 /nfs/dbraw/zinc/17/85/25/609178525.db2.gz VCCDFQUQAKYZLP-RISCZKNCSA-N -1 3 385.428 0.393 20 0 GCADHM CCC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825034970 609178527 /nfs/dbraw/zinc/17/85/27/609178527.db2.gz VCCDFQUQAKYZLP-RISCZKNCSA-N -1 3 385.428 0.393 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(N)n1 ZINC000826329441 609178553 /nfs/dbraw/zinc/17/85/53/609178553.db2.gz DEWHCNZMNAUCMO-CQSZACIVSA-N -1 3 393.411 0.473 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(N)n1 ZINC000826329441 609178555 /nfs/dbraw/zinc/17/85/55/609178555.db2.gz DEWHCNZMNAUCMO-CQSZACIVSA-N -1 3 393.411 0.473 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cc[nH]c(=O)c1 ZINC000826431172 609179405 /nfs/dbraw/zinc/17/94/05/609179405.db2.gz TXMURWKGVQVIFH-AWEZNQCLSA-N -1 3 379.380 0.893 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cc[nH]c(=O)c1 ZINC000826431172 609179407 /nfs/dbraw/zinc/17/94/07/609179407.db2.gz TXMURWKGVQVIFH-AWEZNQCLSA-N -1 3 379.380 0.893 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826255951 609182528 /nfs/dbraw/zinc/18/25/28/609182528.db2.gz PMFPYUKZVBYCST-CYBMUJFWSA-N -1 3 395.441 0.376 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826255951 609182530 /nfs/dbraw/zinc/18/25/30/609182530.db2.gz PMFPYUKZVBYCST-CYBMUJFWSA-N -1 3 395.441 0.376 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000826398317 609182577 /nfs/dbraw/zinc/18/25/77/609182577.db2.gz UQMNXCZQFCFEQH-KRWDZBQOSA-N -1 3 380.408 0.955 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000826398317 609182578 /nfs/dbraw/zinc/18/25/78/609182578.db2.gz UQMNXCZQFCFEQH-KRWDZBQOSA-N -1 3 380.408 0.955 20 0 GCADHM Cc1cc(CN2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000826266198 609186627 /nfs/dbraw/zinc/18/66/27/609186627.db2.gz GLICLZRXISAPJB-MRXNPFEDSA-N -1 3 383.412 0.541 20 0 GCADHM Cc1cc(CN2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000826266198 609186629 /nfs/dbraw/zinc/18/66/29/609186629.db2.gz GLICLZRXISAPJB-MRXNPFEDSA-N -1 3 383.412 0.541 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2cccc(O)c2)CC1 ZINC000826397810 609188252 /nfs/dbraw/zinc/18/82/52/609188252.db2.gz KYNPBLDGOZECOX-QGZVFWFLSA-N -1 3 380.408 0.955 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cccc(O)c2)CC1 ZINC000826397810 609188253 /nfs/dbraw/zinc/18/82/53/609188253.db2.gz KYNPBLDGOZECOX-QGZVFWFLSA-N -1 3 380.408 0.955 20 0 GCADHM O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442508 609189459 /nfs/dbraw/zinc/18/94/59/609189459.db2.gz YCNMIGXGDIBGLJ-KRWDZBQOSA-N -1 3 395.423 0.448 20 0 GCADHM O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442508 609189462 /nfs/dbraw/zinc/18/94/62/609189462.db2.gz YCNMIGXGDIBGLJ-KRWDZBQOSA-N -1 3 395.423 0.448 20 0 GCADHM O=C(Nc1ccc(N2CCOCC2)cn1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826454737 609191310 /nfs/dbraw/zinc/19/13/10/609191310.db2.gz JAOQFNYQQBCRAD-MRXNPFEDSA-N -1 3 381.396 0.770 20 0 GCADHM O=C(Nc1ccc(N2CCOCC2)cn1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826454737 609191312 /nfs/dbraw/zinc/19/13/12/609191312.db2.gz JAOQFNYQQBCRAD-MRXNPFEDSA-N -1 3 381.396 0.770 20 0 GCADHM CCCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825300946 609191615 /nfs/dbraw/zinc/19/16/15/609191615.db2.gz GABHYSYTZKERDF-ZIAGYGMSSA-N -1 3 379.442 0.326 20 0 GCADHM CCCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825300946 609191616 /nfs/dbraw/zinc/19/16/16/609191616.db2.gz GABHYSYTZKERDF-ZIAGYGMSSA-N -1 3 379.442 0.326 20 0 GCADHM O=C(NCc1nc(-c2ccncc2)no1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443954 609192192 /nfs/dbraw/zinc/19/21/92/609192192.db2.gz LBIIRIRRWZDLIL-CQSZACIVSA-N -1 3 378.352 0.662 20 0 GCADHM O=C(NCc1nc(-c2ccncc2)no1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443954 609192193 /nfs/dbraw/zinc/19/21/93/609192193.db2.gz LBIIRIRRWZDLIL-CQSZACIVSA-N -1 3 378.352 0.662 20 0 GCADHM O=C(NCc1cccnc1-n1ccnc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443614 609192374 /nfs/dbraw/zinc/19/23/74/609192374.db2.gz WYLHAJJRJOUETP-HNNXBMFYSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1cccnc1-n1ccnc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443614 609192376 /nfs/dbraw/zinc/19/23/76/609192376.db2.gz WYLHAJJRJOUETP-HNNXBMFYSA-N -1 3 376.380 0.797 20 0 GCADHM Cc1cc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)ccc1-n1cnnn1 ZINC000826269242 609192442 /nfs/dbraw/zinc/19/24/42/609192442.db2.gz FWGNZXMQKIVPLM-HNNXBMFYSA-N -1 3 377.368 0.823 20 0 GCADHM Cc1cc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)ccc1-n1cnnn1 ZINC000826269242 609192443 /nfs/dbraw/zinc/19/24/43/609192443.db2.gz FWGNZXMQKIVPLM-HNNXBMFYSA-N -1 3 377.368 0.823 20 0 GCADHM O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431602 609192458 /nfs/dbraw/zinc/19/24/58/609192458.db2.gz GITTURBPTLETQE-GDBMZVCRSA-N -1 3 399.432 0.935 20 0 GCADHM O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431602 609192460 /nfs/dbraw/zinc/19/24/60/609192460.db2.gz GITTURBPTLETQE-GDBMZVCRSA-N -1 3 399.432 0.935 20 0 GCADHM O=C(NCc1nc(-c2ccncc2)no1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443953 609192574 /nfs/dbraw/zinc/19/25/74/609192574.db2.gz LBIIRIRRWZDLIL-AWEZNQCLSA-N -1 3 378.352 0.662 20 0 GCADHM O=C(NCc1nc(-c2ccncc2)no1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443953 609192577 /nfs/dbraw/zinc/19/25/77/609192577.db2.gz LBIIRIRRWZDLIL-AWEZNQCLSA-N -1 3 378.352 0.662 20 0 GCADHM CCOC(=O)c1ccc(N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)nc1 ZINC000825559855 609193338 /nfs/dbraw/zinc/19/33/38/609193338.db2.gz KIHRDIFLGCCKOB-UHFFFAOYSA-N -1 3 396.411 0.729 20 0 GCADHM CCOC(=O)c1ccc(N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)nc1 ZINC000825559855 609193339 /nfs/dbraw/zinc/19/33/39/609193339.db2.gz KIHRDIFLGCCKOB-UHFFFAOYSA-N -1 3 396.411 0.729 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824935477 609193642 /nfs/dbraw/zinc/19/36/42/609193642.db2.gz BOJWYKSMJHDISX-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824935477 609193644 /nfs/dbraw/zinc/19/36/44/609193644.db2.gz BOJWYKSMJHDISX-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826437737 609195769 /nfs/dbraw/zinc/19/57/69/609195769.db2.gz ZLDPHVNXMSZAPW-UHFFFAOYSA-N -1 3 384.419 0.886 20 0 GCADHM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826437737 609195770 /nfs/dbraw/zinc/19/57/70/609195770.db2.gz ZLDPHVNXMSZAPW-UHFFFAOYSA-N -1 3 384.419 0.886 20 0 GCADHM O=C(COc1ccc(F)cc1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000826417984 609197104 /nfs/dbraw/zinc/19/71/04/609197104.db2.gz MYAMQFAVVRHFBY-UHFFFAOYSA-N -1 3 399.386 0.697 20 0 GCADHM O=C(COc1ccc(F)cc1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826417984 609197106 /nfs/dbraw/zinc/19/71/06/609197106.db2.gz MYAMQFAVVRHFBY-UHFFFAOYSA-N -1 3 399.386 0.697 20 0 GCADHM COCCOc1ccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826162559 609199312 /nfs/dbraw/zinc/19/93/12/609199312.db2.gz IEKRTSLCFDZACY-MRXNPFEDSA-N -1 3 384.396 0.637 20 0 GCADHM COCCOc1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826162559 609199313 /nfs/dbraw/zinc/19/93/13/609199313.db2.gz IEKRTSLCFDZACY-MRXNPFEDSA-N -1 3 384.396 0.637 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826434708 609201285 /nfs/dbraw/zinc/20/12/85/609201285.db2.gz VHYSTHQWVKSZII-CVEARBPZSA-N -1 3 384.440 0.665 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826434708 609201287 /nfs/dbraw/zinc/20/12/87/609201287.db2.gz VHYSTHQWVKSZII-CVEARBPZSA-N -1 3 384.440 0.665 20 0 GCADHM O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826434709 609201477 /nfs/dbraw/zinc/20/14/77/609201477.db2.gz VHYSTHQWVKSZII-HOTGVXAUSA-N -1 3 384.440 0.665 20 0 GCADHM O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826434709 609201480 /nfs/dbraw/zinc/20/14/80/609201480.db2.gz VHYSTHQWVKSZII-HOTGVXAUSA-N -1 3 384.440 0.665 20 0 GCADHM C[C@](O)(CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000824670157 609201770 /nfs/dbraw/zinc/20/17/70/609201770.db2.gz LETYPHZAYZLADX-BEFAXECRSA-N -1 3 399.455 0.822 20 0 GCADHM C[C@](O)(CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000824670157 609201771 /nfs/dbraw/zinc/20/17/71/609201771.db2.gz LETYPHZAYZLADX-BEFAXECRSA-N -1 3 399.455 0.822 20 0 GCADHM CCCN(CCO)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825313516 609202502 /nfs/dbraw/zinc/20/25/02/609202502.db2.gz IGIUTFURJUDKMP-OAHLLOKOSA-N -1 3 387.444 0.776 20 0 GCADHM CCCN(CCO)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825313516 609202504 /nfs/dbraw/zinc/20/25/04/609202504.db2.gz IGIUTFURJUDKMP-OAHLLOKOSA-N -1 3 387.444 0.776 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@@H](O)C1 ZINC000826430840 609202941 /nfs/dbraw/zinc/20/29/41/609202941.db2.gz LKXPWRJWHDFONX-CABCVRRESA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@@H](O)C1 ZINC000826430840 609202942 /nfs/dbraw/zinc/20/29/42/609202942.db2.gz LKXPWRJWHDFONX-CABCVRRESA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@@H](O)C1 ZINC000826430842 609203350 /nfs/dbraw/zinc/20/33/50/609203350.db2.gz LKXPWRJWHDFONX-HUUCEWRRSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@@H](O)C1 ZINC000826430842 609203352 /nfs/dbraw/zinc/20/33/52/609203352.db2.gz LKXPWRJWHDFONX-HUUCEWRRSA-N -1 3 385.428 0.528 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000826478643 609203686 /nfs/dbraw/zinc/20/36/86/609203686.db2.gz HFJIQACPXOJNIC-FUHWJXTLSA-N -1 3 392.419 0.990 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000826478643 609203687 /nfs/dbraw/zinc/20/36/87/609203687.db2.gz HFJIQACPXOJNIC-FUHWJXTLSA-N -1 3 392.419 0.990 20 0 GCADHM C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(C)(C)O ZINC000824499578 609203820 /nfs/dbraw/zinc/20/38/20/609203820.db2.gz PSKGZPLKSYCZER-SMDDNHRTSA-N -1 3 387.444 0.821 20 0 GCADHM C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(C)(C)O ZINC000824499578 609203822 /nfs/dbraw/zinc/20/38/22/609203822.db2.gz PSKGZPLKSYCZER-SMDDNHRTSA-N -1 3 387.444 0.821 20 0 GCADHM C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(C)(C)O ZINC000824499574 609203925 /nfs/dbraw/zinc/20/39/25/609203925.db2.gz PSKGZPLKSYCZER-BXUZGUMPSA-N -1 3 387.444 0.821 20 0 GCADHM C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(C)(C)O ZINC000824499574 609203927 /nfs/dbraw/zinc/20/39/27/609203927.db2.gz PSKGZPLKSYCZER-BXUZGUMPSA-N -1 3 387.444 0.821 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000826397955 609204883 /nfs/dbraw/zinc/20/48/83/609204883.db2.gz NGHIKARCSDLCFD-MRXNPFEDSA-N -1 3 394.439 0.844 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000826397955 609204885 /nfs/dbraw/zinc/20/48/85/609204885.db2.gz NGHIKARCSDLCFD-MRXNPFEDSA-N -1 3 394.439 0.844 20 0 GCADHM CC[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825043997 609205968 /nfs/dbraw/zinc/20/59/68/609205968.db2.gz LQQYXNWAPJEERK-KBXCAEBGSA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825043997 609205969 /nfs/dbraw/zinc/20/59/69/609205969.db2.gz LQQYXNWAPJEERK-KBXCAEBGSA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825044000 609206026 /nfs/dbraw/zinc/20/60/26/609206026.db2.gz LQQYXNWAPJEERK-KSSFIOAISA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@](C)(O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825044000 609206028 /nfs/dbraw/zinc/20/60/28/609206028.db2.gz LQQYXNWAPJEERK-KSSFIOAISA-N -1 3 387.444 0.822 20 0 GCADHM O=C(NC[C@H](O)C1CC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826432959 609206528 /nfs/dbraw/zinc/20/65/28/609206528.db2.gz QODDMWWMFPDKCN-GJZGRUSLSA-N -1 3 385.428 0.432 20 0 GCADHM O=C(NC[C@H](O)C1CC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826432959 609206529 /nfs/dbraw/zinc/20/65/29/609206529.db2.gz QODDMWWMFPDKCN-GJZGRUSLSA-N -1 3 385.428 0.432 20 0 GCADHM O=C(NCC1(O)CCCC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826433936 609206769 /nfs/dbraw/zinc/20/67/69/609206769.db2.gz WFFSNRYRSCTSJM-OAHLLOKOSA-N -1 3 399.455 0.966 20 0 GCADHM O=C(NCC1(O)CCCC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826433936 609206770 /nfs/dbraw/zinc/20/67/70/609206770.db2.gz WFFSNRYRSCTSJM-OAHLLOKOSA-N -1 3 399.455 0.966 20 0 GCADHM CCCCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825282700 609208817 /nfs/dbraw/zinc/20/88/17/609208817.db2.gz WYHCPKDZYIJHHW-CABCVRRESA-N -1 3 393.469 0.716 20 0 GCADHM CCCCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825282700 609208820 /nfs/dbraw/zinc/20/88/20/609208820.db2.gz WYHCPKDZYIJHHW-CABCVRRESA-N -1 3 393.469 0.716 20 0 GCADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825282702 609208926 /nfs/dbraw/zinc/20/89/26/609208926.db2.gz WYHCPKDZYIJHHW-HUUCEWRRSA-N -1 3 393.469 0.716 20 0 GCADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825282702 609208928 /nfs/dbraw/zinc/20/89/28/609208928.db2.gz WYHCPKDZYIJHHW-HUUCEWRRSA-N -1 3 393.469 0.716 20 0 GCADHM O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826429303 609214419 /nfs/dbraw/zinc/21/44/19/609214419.db2.gz ZMQIDRZUBJQEJH-WMLDXEAASA-N -1 3 378.392 0.822 20 0 GCADHM O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826429303 609214421 /nfs/dbraw/zinc/21/44/21/609214421.db2.gz ZMQIDRZUBJQEJH-WMLDXEAASA-N -1 3 378.392 0.822 20 0 GCADHM O=C(CCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)NCc1cccnc1 ZINC000826407521 609214448 /nfs/dbraw/zinc/21/44/48/609214448.db2.gz PZUGVPJSKXMEJM-MRXNPFEDSA-N -1 3 381.396 0.118 20 0 GCADHM O=C(CCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)NCc1cccnc1 ZINC000826407521 609214449 /nfs/dbraw/zinc/21/44/49/609214449.db2.gz PZUGVPJSKXMEJM-MRXNPFEDSA-N -1 3 381.396 0.118 20 0 GCADHM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825068439 609215940 /nfs/dbraw/zinc/21/59/40/609215940.db2.gz RQRWLCCSXYFGEO-ZLKJLUDKSA-N -1 3 390.469 0.716 20 0 GCADHM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825068439 609215942 /nfs/dbraw/zinc/21/59/42/609215942.db2.gz RQRWLCCSXYFGEO-ZLKJLUDKSA-N -1 3 390.469 0.716 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825398907 609216042 /nfs/dbraw/zinc/21/60/42/609216042.db2.gz AVPPZESKYGLISY-KBPBESRZSA-N -1 3 390.469 0.670 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825398907 609216044 /nfs/dbraw/zinc/21/60/44/609216044.db2.gz AVPPZESKYGLISY-KBPBESRZSA-N -1 3 390.469 0.670 20 0 GCADHM CN(C(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825812611 609216450 /nfs/dbraw/zinc/21/64/50/609216450.db2.gz OOORQNKEAODHBZ-ZIAGYGMSSA-N -1 3 388.453 0.422 20 0 GCADHM CN(C(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825812611 609216452 /nfs/dbraw/zinc/21/64/52/609216452.db2.gz OOORQNKEAODHBZ-ZIAGYGMSSA-N -1 3 388.453 0.422 20 0 GCADHM O=C(CCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccccc1 ZINC000826407564 609217119 /nfs/dbraw/zinc/21/71/19/609217119.db2.gz SOMIANNMYFVIMV-KRWDZBQOSA-N -1 3 380.408 0.723 20 0 GCADHM O=C(CCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccccc1 ZINC000826407564 609217121 /nfs/dbraw/zinc/21/71/21/609217121.db2.gz SOMIANNMYFVIMV-KRWDZBQOSA-N -1 3 380.408 0.723 20 0 GCADHM CCCCNC(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825285049 609217644 /nfs/dbraw/zinc/21/76/44/609217644.db2.gz HRSYVMHTAZPQDT-KGLIPLIRSA-N -1 3 390.469 0.718 20 0 GCADHM CCCCNC(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825285049 609217645 /nfs/dbraw/zinc/21/76/45/609217645.db2.gz HRSYVMHTAZPQDT-KGLIPLIRSA-N -1 3 390.469 0.718 20 0 GCADHM CN(C)Cc1nc(C(C)(C)NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000825870175 609219411 /nfs/dbraw/zinc/21/94/11/609219411.db2.gz COVTUOGGSOSJLD-CYBMUJFWSA-N -1 3 386.416 0.396 20 0 GCADHM CN(C)Cc1nc(C(C)(C)NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000825870175 609219412 /nfs/dbraw/zinc/21/94/12/609219412.db2.gz COVTUOGGSOSJLD-CYBMUJFWSA-N -1 3 386.416 0.396 20 0 GCADHM COc1cc(C[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc(OC)c1 ZINC000826178868 609221554 /nfs/dbraw/zinc/22/15/54/609221554.db2.gz PHGQLYMDORRSOT-LBPRGKRZSA-N -1 3 386.412 0.793 20 0 GCADHM COc1cc(C[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc(OC)c1 ZINC000826178868 609221556 /nfs/dbraw/zinc/22/15/56/609221556.db2.gz PHGQLYMDORRSOT-LBPRGKRZSA-N -1 3 386.412 0.793 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC000824505382 609225248 /nfs/dbraw/zinc/22/52/48/609225248.db2.gz CFDWEGYCTGHACQ-GWCFXTLKSA-N -1 3 391.432 0.949 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC000824505382 609225250 /nfs/dbraw/zinc/22/52/50/609225250.db2.gz CFDWEGYCTGHACQ-GWCFXTLKSA-N -1 3 391.432 0.949 20 0 GCADHM Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000826324561 609225363 /nfs/dbraw/zinc/22/53/63/609225363.db2.gz WMQMNDNIORORAA-HZPDHXFCSA-N -1 3 382.428 0.972 20 0 GCADHM Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000826324561 609225364 /nfs/dbraw/zinc/22/53/64/609225364.db2.gz WMQMNDNIORORAA-HZPDHXFCSA-N -1 3 382.428 0.972 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCN(c2cccnn2)CC1 ZINC000826397418 609226012 /nfs/dbraw/zinc/22/60/12/609226012.db2.gz CTKAUVWJCLEJCR-MRXNPFEDSA-N -1 3 380.412 0.429 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCCN(c2cccnn2)CC1 ZINC000826397418 609226014 /nfs/dbraw/zinc/22/60/14/609226014.db2.gz CTKAUVWJCLEJCR-MRXNPFEDSA-N -1 3 380.412 0.429 20 0 GCADHM CCOc1ccnc(N2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC000825658278 609226650 /nfs/dbraw/zinc/22/66/50/609226650.db2.gz CPEMPZBYPVAWJY-UHFFFAOYSA-N -1 3 383.416 0.736 20 0 GCADHM CCOc1ccnc(N2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC000825658278 609226652 /nfs/dbraw/zinc/22/66/52/609226652.db2.gz CPEMPZBYPVAWJY-UHFFFAOYSA-N -1 3 383.416 0.736 20 0 GCADHM O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431686 609227178 /nfs/dbraw/zinc/22/71/78/609227178.db2.gz HYWICSLWAFPAEZ-HOTGVXAUSA-N -1 3 378.392 0.822 20 0 GCADHM O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431686 609227179 /nfs/dbraw/zinc/22/71/79/609227179.db2.gz HYWICSLWAFPAEZ-HOTGVXAUSA-N -1 3 378.392 0.822 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431687 609227199 /nfs/dbraw/zinc/22/71/99/609227199.db2.gz HYWICSLWAFPAEZ-HZPDHXFCSA-N -1 3 378.392 0.822 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431687 609227200 /nfs/dbraw/zinc/22/72/00/609227200.db2.gz HYWICSLWAFPAEZ-HZPDHXFCSA-N -1 3 378.392 0.822 20 0 GCADHM O=C(Nc1ccn(CCN2CCOCC2)n1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826459146 609227834 /nfs/dbraw/zinc/22/78/34/609227834.db2.gz XBXIEUYSJDRHMU-MRXNPFEDSA-N -1 3 398.427 0.068 20 0 GCADHM CCN(C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)c1cccnn1 ZINC000825415915 609228159 /nfs/dbraw/zinc/22/81/59/609228159.db2.gz FTTVGDLGKJYCCY-CYBMUJFWSA-N -1 3 383.416 0.352 20 0 GCADHM CCN(C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)c1cccnn1 ZINC000825415915 609228160 /nfs/dbraw/zinc/22/81/60/609228160.db2.gz FTTVGDLGKJYCCY-CYBMUJFWSA-N -1 3 383.416 0.352 20 0 GCADHM Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000826265364 609228513 /nfs/dbraw/zinc/22/85/13/609228513.db2.gz WIXAXGQRQARQKR-SJORKVTESA-N -1 3 397.439 0.641 20 0 GCADHM Cc1cc(C)n(C[C@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000826265364 609228514 /nfs/dbraw/zinc/22/85/14/609228514.db2.gz WIXAXGQRQARQKR-SJORKVTESA-N -1 3 397.439 0.641 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000826399359 609228978 /nfs/dbraw/zinc/22/89/78/609228978.db2.gz UDUDZORXNPJHJY-CVEARBPZSA-N -1 3 384.440 0.761 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000826399359 609228979 /nfs/dbraw/zinc/22/89/79/609228979.db2.gz UDUDZORXNPJHJY-CVEARBPZSA-N -1 3 384.440 0.761 20 0 GCADHM CCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000825367937 609229838 /nfs/dbraw/zinc/22/98/38/609229838.db2.gz XVJHQBUXZQYVOH-RISCZKNCSA-N -1 3 381.458 0.572 20 0 GCADHM CCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000825367937 609229840 /nfs/dbraw/zinc/22/98/40/609229840.db2.gz XVJHQBUXZQYVOH-RISCZKNCSA-N -1 3 381.458 0.572 20 0 GCADHM O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431352 609232995 /nfs/dbraw/zinc/23/29/95/609232995.db2.gz ZDKBSPXOIRKDRK-GOEBONIOSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431352 609232997 /nfs/dbraw/zinc/23/29/97/609232997.db2.gz ZDKBSPXOIRKDRK-GOEBONIOSA-N -1 3 380.412 0.475 20 0 GCADHM CN(C[C@@H]1CCCN1c1cccnn1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825908817 609233809 /nfs/dbraw/zinc/23/38/09/609233809.db2.gz MPXWCRHRHTYOCD-DOTOQJQBSA-N -1 3 394.439 0.818 20 0 GCADHM CN(C[C@@H]1CCCN1c1cccnn1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825908817 609233810 /nfs/dbraw/zinc/23/38/10/609233810.db2.gz MPXWCRHRHTYOCD-DOTOQJQBSA-N -1 3 394.439 0.818 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000824738205 609235178 /nfs/dbraw/zinc/23/51/78/609235178.db2.gz MWZAJVGFWHJRJV-WFASDCNBSA-N -1 3 389.412 0.672 20 0 GCADHM CN(CC(=O)NCc1ccccc1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825892283 609235700 /nfs/dbraw/zinc/23/57/00/609235700.db2.gz IPCCQCNMCSFQGD-QGZVFWFLSA-N -1 3 380.408 0.675 20 0 GCADHM CN(CC(=O)NCc1ccccc1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825892283 609235702 /nfs/dbraw/zinc/23/57/02/609235702.db2.gz IPCCQCNMCSFQGD-QGZVFWFLSA-N -1 3 380.408 0.675 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NC[C@H]1COC2(CCOCC2)O1 ZINC000826419388 609236330 /nfs/dbraw/zinc/23/63/30/609236330.db2.gz VJQJMFKBLIONSQ-LBPRGKRZSA-N -1 3 375.385 0.284 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NC[C@H]1COC2(CCOCC2)O1 ZINC000826419388 609236331 /nfs/dbraw/zinc/23/63/31/609236331.db2.gz VJQJMFKBLIONSQ-LBPRGKRZSA-N -1 3 375.385 0.284 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000825812866 609236450 /nfs/dbraw/zinc/23/64/50/609236450.db2.gz WKCNCOMZYUDQJO-SOUVJXGZSA-N -1 3 393.469 0.714 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000825812866 609236451 /nfs/dbraw/zinc/23/64/51/609236451.db2.gz WKCNCOMZYUDQJO-SOUVJXGZSA-N -1 3 393.469 0.714 20 0 GCADHM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000825583323 609236764 /nfs/dbraw/zinc/23/67/64/609236764.db2.gz SYXZNQFMPWZGKF-ARFHVFGLSA-N -1 3 387.440 0.679 20 0 GCADHM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825583323 609236765 /nfs/dbraw/zinc/23/67/65/609236765.db2.gz SYXZNQFMPWZGKF-ARFHVFGLSA-N -1 3 387.440 0.679 20 0 GCADHM C[C@H](O)c1cn(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)nn1 ZINC000824708602 609240241 /nfs/dbraw/zinc/24/02/41/609240241.db2.gz YYTWZOYPDKTOFD-QMMMGPOBSA-N -1 3 395.326 0.856 20 0 GCADHM C[C@H](O)c1cn(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)nn1 ZINC000824708602 609240243 /nfs/dbraw/zinc/24/02/43/609240243.db2.gz YYTWZOYPDKTOFD-QMMMGPOBSA-N -1 3 395.326 0.856 20 0 GCADHM C[C@H](N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)F ZINC000824465736 609244943 /nfs/dbraw/zinc/24/49/43/609244943.db2.gz RSTNVTAMQKCTJN-GWCFXTLKSA-N -1 3 384.362 0.995 20 0 GCADHM C[C@H](N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)F ZINC000824465736 609244944 /nfs/dbraw/zinc/24/49/44/609244944.db2.gz RSTNVTAMQKCTJN-GWCFXTLKSA-N -1 3 384.362 0.995 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000826398096 609245289 /nfs/dbraw/zinc/24/52/89/609245289.db2.gz QBEVOJBAGTVURM-SFHVURJKSA-N -1 3 394.435 0.950 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000826398096 609245290 /nfs/dbraw/zinc/24/52/90/609245290.db2.gz QBEVOJBAGTVURM-SFHVURJKSA-N -1 3 394.435 0.950 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC000825845463 609245380 /nfs/dbraw/zinc/24/53/80/609245380.db2.gz JLPJLJQHEQBOAP-UHFFFAOYSA-N -1 3 387.444 0.850 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC000825845463 609245389 /nfs/dbraw/zinc/24/53/89/609245389.db2.gz JLPJLJQHEQBOAP-UHFFFAOYSA-N -1 3 387.444 0.850 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824970788 609245586 /nfs/dbraw/zinc/24/55/86/609245586.db2.gz YAOCAKIHTAGQKL-HFBAOOFYSA-N -1 3 384.440 0.663 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824970788 609245587 /nfs/dbraw/zinc/24/55/87/609245587.db2.gz YAOCAKIHTAGQKL-HFBAOOFYSA-N -1 3 384.440 0.663 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2F)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431917 609246540 /nfs/dbraw/zinc/24/65/40/609246540.db2.gz NLKHNQUDWSSLTG-ZFWWWQNUSA-N -1 3 383.387 0.829 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2F)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431917 609246541 /nfs/dbraw/zinc/24/65/41/609246541.db2.gz NLKHNQUDWSSLTG-ZFWWWQNUSA-N -1 3 383.387 0.829 20 0 GCADHM Cc1cnc(CN(C)[C@@H]2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)o1 ZINC000826318576 609251204 /nfs/dbraw/zinc/25/12/04/609251204.db2.gz PRVWYVSHZJZXCE-WBVHZDCISA-N -1 3 397.439 0.929 20 0 GCADHM Cc1cnc(CN(C)[C@@H]2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)o1 ZINC000826318576 609251206 /nfs/dbraw/zinc/25/12/06/609251206.db2.gz PRVWYVSHZJZXCE-WBVHZDCISA-N -1 3 397.439 0.929 20 0 GCADHM O=C(NCCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC000826436732 609251845 /nfs/dbraw/zinc/25/18/45/609251845.db2.gz GGQMQYZPSLOZJX-MRXNPFEDSA-N -1 3 396.407 0.542 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N(CCO)CCOCC(F)(F)F 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Cc1cc(C(=O)N(C)CC(C)(CO)CO)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257076 609256525 /nfs/dbraw/zinc/25/65/25/609256525.db2.gz MPWOZRJXURNAKP-UHFFFAOYSA-N -1 3 385.428 0.424 20 0 GCADHM Cc1cc(C(=O)N(C)CC(C)(CO)CO)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257076 609256526 /nfs/dbraw/zinc/25/65/26/609256526.db2.gz MPWOZRJXURNAKP-UHFFFAOYSA-N -1 3 385.428 0.424 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826321618 609258665 /nfs/dbraw/zinc/25/86/65/609258665.db2.gz JPSMKOABKOXKQX-HOCLYGCPSA-N -1 3 383.412 0.840 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826321618 609258667 /nfs/dbraw/zinc/25/86/67/609258667.db2.gz JPSMKOABKOXKQX-HOCLYGCPSA-N -1 3 383.412 0.840 20 0 GCADHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826333378 609259826 /nfs/dbraw/zinc/25/98/26/609259826.db2.gz FIQSCJKBUSWWJQ-WBVHZDCISA-N -1 3 397.439 0.851 20 0 GCADHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826333378 609259827 /nfs/dbraw/zinc/25/98/27/609259827.db2.gz FIQSCJKBUSWWJQ-WBVHZDCISA-N -1 3 397.439 0.851 20 0 GCADHM CCN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000825465024 609265165 /nfs/dbraw/zinc/26/51/65/609265165.db2.gz GGDUOILRRVEJJT-HZPDHXFCSA-N -1 3 399.455 0.199 20 0 GCADHM CSCC[C@@H](O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826228312 609265682 /nfs/dbraw/zinc/26/56/82/609265682.db2.gz LGEKINPEVHREBL-ZIAGYGMSSA-N -1 3 390.469 0.592 20 0 GCADHM CSCC[C@@H](O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826228312 609265684 /nfs/dbraw/zinc/26/56/84/609265684.db2.gz LGEKINPEVHREBL-ZIAGYGMSSA-N -1 3 390.469 0.592 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826392355 609265764 /nfs/dbraw/zinc/26/57/64/609265764.db2.gz VGFUQLVCVQTCBC-KGLIPLIRSA-N -1 3 398.427 0.021 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826392355 609265766 /nfs/dbraw/zinc/26/57/66/609265766.db2.gz VGFUQLVCVQTCBC-KGLIPLIRSA-N -1 3 398.427 0.021 20 0 GCADHM CCNC(=O)CCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825471277 609265777 /nfs/dbraw/zinc/26/57/77/609265777.db2.gz QLRJVGHBZOVSBX-AWEZNQCLSA-N -1 3 385.428 0.395 20 0 GCADHM CCNC(=O)CCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825471277 609265778 /nfs/dbraw/zinc/26/57/78/609265778.db2.gz QLRJVGHBZOVSBX-AWEZNQCLSA-N -1 3 385.428 0.395 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1CSC(=O)N1 ZINC000826481904 609266290 /nfs/dbraw/zinc/26/62/90/609266290.db2.gz LLRDEZYNKSZEFG-RYUDHWBXSA-N -1 3 387.425 0.303 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1CSC(=O)N1 ZINC000826481904 609266291 /nfs/dbraw/zinc/26/62/91/609266291.db2.gz LLRDEZYNKSZEFG-RYUDHWBXSA-N -1 3 387.425 0.303 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H](O)c1cccnc1 ZINC000826429741 609266504 /nfs/dbraw/zinc/26/65/04/609266504.db2.gz LXEKKHCVWKWQDD-HZPDHXFCSA-N 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C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000824480125 609267172 /nfs/dbraw/zinc/26/71/72/609267172.db2.gz UBQSFYMPINFWFO-PIGZYNQJSA-N -1 3 398.398 0.974 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000824480125 609267173 /nfs/dbraw/zinc/26/71/73/609267173.db2.gz UBQSFYMPINFWFO-PIGZYNQJSA-N -1 3 398.398 0.974 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826186306 609271021 /nfs/dbraw/zinc/27/10/21/609271021.db2.gz NAMRXEUGPQYQNL-GFCCVEGCSA-N -1 3 390.400 0.919 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826186306 609271022 /nfs/dbraw/zinc/27/10/22/609271022.db2.gz NAMRXEUGPQYQNL-GFCCVEGCSA-N -1 3 390.400 0.919 20 0 GCADHM CCOCCOC1CN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC000825599542 609282636 /nfs/dbraw/zinc/28/26/36/609282636.db2.gz NCWODMDTNQCNPU-UHFFFAOYSA-N -1 3 376.417 0.822 20 0 GCADHM CCOCCOC1CN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC000825599542 609282638 /nfs/dbraw/zinc/28/26/38/609282638.db2.gz NCWODMDTNQCNPU-UHFFFAOYSA-N -1 3 376.417 0.822 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000825493537 609285930 /nfs/dbraw/zinc/28/59/30/609285930.db2.gz MMHRDHJPULTDOM-XJKSGUPXSA-N -1 3 389.412 0.720 20 0 GCADHM CCCS(=O)(=O)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825341844 609286893 /nfs/dbraw/zinc/28/68/93/609286893.db2.gz LHTKJUOSFCAKMX-UHFFFAOYSA-N -1 3 393.404 0.955 20 0 GCADHM CC(C)(C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)S(C)(=O)=O ZINC000824064260 609287037 /nfs/dbraw/zinc/28/70/37/609287037.db2.gz FHKQRBIIALKYBM-UHFFFAOYSA-N -1 3 393.404 0.953 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826480928 609288229 /nfs/dbraw/zinc/28/82/29/609288229.db2.gz YKRRTLWXLHSNMA-UHFFFAOYSA-N -1 3 399.346 0.072 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000826223677 609288528 /nfs/dbraw/zinc/28/85/28/609288528.db2.gz WBRLPGTXVWXEFI-JTQLQIEISA-N -1 3 384.849 0.674 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000826223677 609288529 /nfs/dbraw/zinc/28/85/29/609288529.db2.gz WBRLPGTXVWXEFI-JTQLQIEISA-N -1 3 384.849 0.674 20 0 GCADHM O=C(CN1CSCC1=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826411839 609289658 /nfs/dbraw/zinc/28/96/58/609289658.db2.gz POFJJSORYNWPGU-UHFFFAOYSA-N -1 3 388.388 0.663 20 0 GCADHM NS(=O)(=O)CC1CCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000826394492 609290186 /nfs/dbraw/zinc/29/01/86/609290186.db2.gz LZLXVDIYIFWLII-UHFFFAOYSA-N -1 3 384.849 0.661 20 0 GCADHM NS(=O)(=O)CC1CCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000826394492 609290188 /nfs/dbraw/zinc/29/01/88/609290188.db2.gz LZLXVDIYIFWLII-UHFFFAOYSA-N -1 3 384.849 0.661 20 0 GCADHM C[C@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1C(=O)CCC1=O ZINC000824046256 609291558 /nfs/dbraw/zinc/29/15/58/609291558.db2.gz RQCZONUFTUDZPH-SECBINFHSA-N -1 3 398.358 0.668 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000826174390 609295568 /nfs/dbraw/zinc/29/55/68/609295568.db2.gz UYGMZSSLKGVNMR-LLVKDONJSA-N -1 3 375.307 0.636 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000826174390 609295570 /nfs/dbraw/zinc/29/55/70/609295570.db2.gz UYGMZSSLKGVNMR-LLVKDONJSA-N -1 3 375.307 0.636 20 0 GCADHM CN(C)C(=O)CC1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825841364 609297395 /nfs/dbraw/zinc/29/73/95/609297395.db2.gz VUOYSWYSMVVNCZ-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCNc1ccccn1 ZINC000825930161 609300971 /nfs/dbraw/zinc/30/09/71/609300971.db2.gz QNLRAAZSCNDQJZ-UHFFFAOYSA-N -1 3 399.463 0.643 20 0 GCADHM CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000826223100 609301211 /nfs/dbraw/zinc/30/12/11/609301211.db2.gz BCLUXGIMDSAGLW-UHFFFAOYSA-N -1 3 398.876 0.922 20 0 GCADHM CS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000826223100 609301212 /nfs/dbraw/zinc/30/12/12/609301212.db2.gz BCLUXGIMDSAGLW-UHFFFAOYSA-N -1 3 398.876 0.922 20 0 GCADHM CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825902177 609301227 /nfs/dbraw/zinc/30/12/27/609301227.db2.gz PSDUIOWUHUEGQA-LBPRGKRZSA-N -1 3 380.836 0.285 20 0 GCADHM CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825902177 609301228 /nfs/dbraw/zinc/30/12/28/609301228.db2.gz PSDUIOWUHUEGQA-LBPRGKRZSA-N -1 3 380.836 0.285 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000825930154 609310079 /nfs/dbraw/zinc/31/00/79/609310079.db2.gz QJRUABOGTRRPIN-SNVBAGLBSA-N -1 3 385.436 0.027 20 0 GCADHM C[C@H](NS(C)(=O)=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824650987 609312081 /nfs/dbraw/zinc/31/20/81/609312081.db2.gz WQKHTXBSOYVWPF-QMMMGPOBSA-N -1 3 394.392 0.068 20 0 GCADHM NC(=O)NCCCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826392632 609312450 /nfs/dbraw/zinc/31/24/50/609312450.db2.gz GJKDNPHMNLRHLL-UHFFFAOYSA-N -1 3 387.379 0.969 20 0 GCADHM CC(C)[C@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CCO1 ZINC000824226291 609315486 /nfs/dbraw/zinc/31/54/86/609315486.db2.gz XMWZOSXHQXKUIQ-DNVCBOLYSA-N -1 3 399.455 0.948 20 0 GCADHM CC(C)[C@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CCO1 ZINC000824226291 609315488 /nfs/dbraw/zinc/31/54/88/609315488.db2.gz XMWZOSXHQXKUIQ-DNVCBOLYSA-N -1 3 399.455 0.948 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)N1CC[C@H](C)C1 ZINC000826159140 609316660 /nfs/dbraw/zinc/31/66/60/609316660.db2.gz SEQGZOPPOMKFEF-ZDUSSCGKSA-N -1 3 380.474 0.902 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)N1CC[C@H](C)C1 ZINC000826159140 609316661 /nfs/dbraw/zinc/31/66/61/609316661.db2.gz SEQGZOPPOMKFEF-ZDUSSCGKSA-N -1 3 380.474 0.902 20 0 GCADHM O=S(=O)(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc2c(c1)OCO2 ZINC000826491635 609316963 /nfs/dbraw/zinc/31/69/63/609316963.db2.gz SPCQQVNYAOBSBL-UHFFFAOYSA-N -1 3 389.397 0.381 20 0 GCADHM O=S(=O)(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc2c(c1)OCO2 ZINC000826491635 609316965 /nfs/dbraw/zinc/31/69/65/609316965.db2.gz SPCQQVNYAOBSBL-UHFFFAOYSA-N -1 3 389.397 0.381 20 0 GCADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCN1CCNC(=O)C1 ZINC000824293603 609317629 /nfs/dbraw/zinc/31/76/29/609317629.db2.gz TWASZFHZERQYNY-UHFFFAOYSA-N -1 3 386.460 0.219 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1CCNC(=O)C1 ZINC000824293603 609317631 /nfs/dbraw/zinc/31/76/31/609317631.db2.gz TWASZFHZERQYNY-UHFFFAOYSA-N -1 3 386.460 0.219 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826129411 609329119 /nfs/dbraw/zinc/32/91/19/609329119.db2.gz RFXNKGZSQLZNMM-NEPJUHHUSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826129411 609329121 /nfs/dbraw/zinc/32/91/21/609329121.db2.gz RFXNKGZSQLZNMM-NEPJUHHUSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826128936 609329142 /nfs/dbraw/zinc/32/91/42/609329142.db2.gz ITSYWORWTOTWRN-CHWSQXEVSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826128936 609329144 /nfs/dbraw/zinc/32/91/44/609329144.db2.gz ITSYWORWTOTWRN-CHWSQXEVSA-N -1 3 395.441 0.516 20 0 GCADHM COC[C@H](NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826150755 609332717 /nfs/dbraw/zinc/33/27/17/609332717.db2.gz KZFWURSXMBTBRX-ZDUSSCGKSA-N -1 3 382.380 0.889 20 0 GCADHM COC[C@H](NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826150755 609332719 /nfs/dbraw/zinc/33/27/19/609332719.db2.gz KZFWURSXMBTBRX-ZDUSSCGKSA-N -1 3 382.380 0.889 20 0 GCADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)C1=NNC(=O)CC1 ZINC000826479522 609336684 /nfs/dbraw/zinc/33/66/84/609336684.db2.gz AHJGNOAGPVTYEF-UHFFFAOYSA-N -1 3 379.174 0.938 20 0 GCADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)C1=NNC(=O)CC1 ZINC000826479522 609336685 /nfs/dbraw/zinc/33/66/85/609336685.db2.gz AHJGNOAGPVTYEF-UHFFFAOYSA-N -1 3 379.174 0.938 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826128898 609344885 /nfs/dbraw/zinc/34/48/85/609344885.db2.gz IPHXXSOJTJPYFL-AAEUAGOBSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826128898 609344888 /nfs/dbraw/zinc/34/48/88/609344888.db2.gz IPHXXSOJTJPYFL-AAEUAGOBSA-N -1 3 375.385 0.425 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](OC(F)F)C1 ZINC000826432434 609351724 /nfs/dbraw/zinc/35/17/24/609351724.db2.gz AMKLCOYBSGTAAY-LBPRGKRZSA-N -1 3 380.355 0.827 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](OC(F)F)C1 ZINC000826432434 609351726 /nfs/dbraw/zinc/35/17/26/609351726.db2.gz AMKLCOYBSGTAAY-LBPRGKRZSA-N -1 3 380.355 0.827 20 0 GCADHM CN(CC1CC1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825901495 609353969 /nfs/dbraw/zinc/35/39/69/609353969.db2.gz HNEFIPJQTUECDH-UHFFFAOYSA-N -1 3 384.375 0.998 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825176133 609358427 /nfs/dbraw/zinc/35/84/27/609358427.db2.gz HKWUHLBFXQWSDZ-LLVKDONJSA-N -1 3 399.390 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ZINC000826129512 609369206 /nfs/dbraw/zinc/36/92/06/609369206.db2.gz UEBQNTZPZATTOD-LSDHHAIUSA-N -1 3 388.428 0.848 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826129512 609369209 /nfs/dbraw/zinc/36/92/09/609369209.db2.gz UEBQNTZPZATTOD-LSDHHAIUSA-N -1 3 388.428 0.848 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826129234 609371894 /nfs/dbraw/zinc/37/18/94/609371894.db2.gz MPKYEGPKFFEMGV-KOLCDFICSA-N -1 3 380.430 0.519 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826129234 609371895 /nfs/dbraw/zinc/37/18/95/609371895.db2.gz MPKYEGPKFFEMGV-KOLCDFICSA-N -1 3 380.430 0.519 20 0 GCADHM COC(=O)[C@H](NCC1(C(=O)OC)CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826112117 609373948 /nfs/dbraw/zinc/37/39/48/609373948.db2.gz SKZJGRITTVVBTG-CQSZACIVSA-N -1 3 389.412 0.640 20 0 GCADHM COC(=O)[C@H](NCC1(C(=O)OC)CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826112117 609373949 /nfs/dbraw/zinc/37/39/49/609373949.db2.gz SKZJGRITTVVBTG-CQSZACIVSA-N -1 3 389.412 0.640 20 0 GCADHM COC(=O)[C@@H](NCC1(C(=O)OC)CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826112116 609374004 /nfs/dbraw/zinc/37/40/04/609374004.db2.gz SKZJGRITTVVBTG-AWEZNQCLSA-N -1 3 389.412 0.640 20 0 GCADHM COC(=O)[C@@H](NCC1(C(=O)OC)CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826112116 609374008 /nfs/dbraw/zinc/37/40/08/609374008.db2.gz SKZJGRITTVVBTG-AWEZNQCLSA-N -1 3 389.412 0.640 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826233456 609383668 /nfs/dbraw/zinc/38/36/68/609383668.db2.gz HWRKWRVUMXUYQF-UHFFFAOYSA-N -1 3 396.455 0.696 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826233648 609384017 /nfs/dbraw/zinc/38/40/17/609384017.db2.gz QENBQHRMYGPUKL-UHFFFAOYSA-N -1 3 388.457 0.829 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826233648 609384020 /nfs/dbraw/zinc/38/40/20/609384020.db2.gz QENBQHRMYGPUKL-UHFFFAOYSA-N -1 3 388.457 0.829 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1sccc1-c1nnn[n-]1 ZINC000826233398 609384168 /nfs/dbraw/zinc/38/41/68/609384168.db2.gz FUZOVCFFSWYNOB-UHFFFAOYSA-N -1 3 388.457 0.829 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1sccc1-c1nn[n-]n1 ZINC000826233398 609384170 /nfs/dbraw/zinc/38/41/70/609384170.db2.gz FUZOVCFFSWYNOB-UHFFFAOYSA-N -1 3 388.457 0.829 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826401743 609388761 /nfs/dbraw/zinc/38/87/61/609388761.db2.gz FYSIQGYDXHFWKU-KEGWNNHHSA-N -1 3 398.467 0.830 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826401743 609388763 /nfs/dbraw/zinc/38/87/63/609388763.db2.gz FYSIQGYDXHFWKU-KEGWNNHHSA-N -1 3 398.467 0.830 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826422486 609388899 /nfs/dbraw/zinc/38/88/99/609388899.db2.gz BELZXXAYXWWPRB-KRWDZBQOSA-N -1 3 386.456 0.359 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826422486 609388901 /nfs/dbraw/zinc/38/89/01/609388901.db2.gz BELZXXAYXWWPRB-KRWDZBQOSA-N -1 3 386.456 0.359 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000824640404 609400379 /nfs/dbraw/zinc/40/03/79/609400379.db2.gz HRBDDYIDEDZPRD-SUNKGSAMSA-N -1 3 396.448 0.740 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000824640404 609400381 /nfs/dbraw/zinc/40/03/81/609400381.db2.gz HRBDDYIDEDZPRD-SUNKGSAMSA-N -1 3 396.448 0.740 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000824640405 609400399 /nfs/dbraw/zinc/40/03/99/609400399.db2.gz HRBDDYIDEDZPRD-UHIISALHSA-N -1 3 396.448 0.740 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000824640405 609400400 /nfs/dbraw/zinc/40/04/00/609400400.db2.gz HRBDDYIDEDZPRD-UHIISALHSA-N -1 3 396.448 0.740 20 0 GCADHM COC[C@@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1)C(=O)OC ZINC000826150548 609404404 /nfs/dbraw/zinc/40/44/04/609404404.db2.gz HEKWNPRKFQERFL-LLVKDONJSA-N -1 3 392.441 0.779 20 0 GCADHM COc1ccc(CN2CC(S(=O)(=O)NC3CCCC3)C2)cc1-c1nnn[n-]1 ZINC000826193449 609409827 /nfs/dbraw/zinc/40/98/27/609409827.db2.gz DITZAAJNWPXMQP-UHFFFAOYSA-N -1 3 392.485 0.922 20 0 GCADHM COc1ccc(CN2CC(S(=O)(=O)NC3CCCC3)C2)cc1-c1nn[n-]n1 ZINC000826193449 609409830 /nfs/dbraw/zinc/40/98/30/609409830.db2.gz DITZAAJNWPXMQP-UHFFFAOYSA-N -1 3 392.485 0.922 20 0 GCADHM NC(=O)c1cccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826393293 609415722 /nfs/dbraw/zinc/41/57/22/609415722.db2.gz LQTHXYSBOKLUQT-UHFFFAOYSA-N -1 3 393.411 0.154 20 0 GCADHM NC(=O)c1cccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826393293 609415723 /nfs/dbraw/zinc/41/57/23/609415723.db2.gz LQTHXYSBOKLUQT-UHFFFAOYSA-N -1 3 393.411 0.154 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000824019575 609419974 /nfs/dbraw/zinc/41/99/74/609419974.db2.gz GWOJNMQCJMGQCD-CQSZACIVSA-N -1 3 390.469 0.378 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000824019575 609419976 /nfs/dbraw/zinc/41/99/76/609419976.db2.gz GWOJNMQCJMGQCD-CQSZACIVSA-N -1 3 390.469 0.378 20 0 GCADHM CNC(=O)[C@@H]1CN(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000826060208 609430171 /nfs/dbraw/zinc/43/01/71/609430171.db2.gz IPYZHDFEDILUFZ-ZDUSSCGKSA-N -1 3 393.835 0.296 20 0 GCADHM CNC(=O)[C@@H]1CN(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000826060208 609430174 /nfs/dbraw/zinc/43/01/74/609430174.db2.gz IPYZHDFEDILUFZ-ZDUSSCGKSA-N -1 3 393.835 0.296 20 0 GCADHM CC[C@](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)(C(N)=O)C(C)C ZINC000825133795 609433066 /nfs/dbraw/zinc/43/30/66/609433066.db2.gz PXBXZGLDGRADSW-GOSISDBHSA-N -1 3 397.443 0.655 20 0 GCADHM CC[C@](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)(C(N)=O)C(C)C ZINC000825133795 609433069 /nfs/dbraw/zinc/43/30/69/609433069.db2.gz PXBXZGLDGRADSW-GOSISDBHSA-N -1 3 397.443 0.655 20 0 GCADHM O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826479656 609438646 /nfs/dbraw/zinc/43/86/46/609438646.db2.gz DYTGMWMVUASVCV-SMDDNHRTSA-N -1 3 395.416 0.765 20 0 GCADHM O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826480107 609438763 /nfs/dbraw/zinc/43/87/63/609438763.db2.gz RFZADCWTCXROPF-KGLIPLIRSA-N -1 3 377.426 0.625 20 0 GCADHM O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826480107 609438767 /nfs/dbraw/zinc/43/87/67/609438767.db2.gz RFZADCWTCXROPF-KGLIPLIRSA-N -1 3 377.426 0.625 20 0 GCADHM CCOC(=O)[C@@H](NCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000825494282 609439821 /nfs/dbraw/zinc/43/98/21/609439821.db2.gz VHZZOTTWYLOMSZ-BBRMVZONSA-N -1 3 388.428 0.753 20 0 GCADHM CCOC(=O)[C@@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC000825494282 609439822 /nfs/dbraw/zinc/43/98/22/609439822.db2.gz VHZZOTTWYLOMSZ-BBRMVZONSA-N -1 3 388.428 0.753 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000826419249 609440684 /nfs/dbraw/zinc/44/06/84/609440684.db2.gz PMWUKVNKCJGMFT-CQSZACIVSA-N -1 3 382.355 0.916 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000826419249 609440685 /nfs/dbraw/zinc/44/06/85/609440685.db2.gz PMWUKVNKCJGMFT-CQSZACIVSA-N -1 3 382.355 0.916 20 0 GCADHM CN1CCN(C(=O)Cc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826038417 609441602 /nfs/dbraw/zinc/44/16/02/609441602.db2.gz NKNQLQIUUNBJTO-UHFFFAOYSA-N -1 3 394.439 0.764 20 0 GCADHM CCOC(=O)CSc1nnc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)s1 ZINC000825517625 609444197 /nfs/dbraw/zinc/44/41/97/609444197.db2.gz IPMXRXYPBZYISU-UHFFFAOYSA-N -1 3 380.415 0.954 20 0 GCADHM CCOC(=O)CSc1nnc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC000825517625 609444200 /nfs/dbraw/zinc/44/42/00/609444200.db2.gz IPMXRXYPBZYISU-UHFFFAOYSA-N -1 3 380.415 0.954 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1-c1nnn[n-]1 ZINC000826302067 609446416 /nfs/dbraw/zinc/44/64/16/609446416.db2.gz ZEYGUYLMDGKGQG-ZDUSSCGKSA-N -1 3 388.457 0.868 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H](Cn3cncn3)C2)c1-c1nn[n-]n1 ZINC000826302067 609446417 /nfs/dbraw/zinc/44/64/17/609446417.db2.gz ZEYGUYLMDGKGQG-ZDUSSCGKSA-N -1 3 388.457 0.868 20 0 GCADHM O=C(CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)NCC1CC1 ZINC000826411916 609446635 /nfs/dbraw/zinc/44/66/35/609446635.db2.gz SKEKOPQLQBUQSW-UHFFFAOYSA-N -1 3 399.459 0.056 20 0 GCADHM O=C(CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)NCC1CC1 ZINC000826411916 609446636 /nfs/dbraw/zinc/44/66/36/609446636.db2.gz SKEKOPQLQBUQSW-UHFFFAOYSA-N -1 3 399.459 0.056 20 0 GCADHM CCNC(=O)NC(=O)CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825471466 609448411 /nfs/dbraw/zinc/44/84/11/609448411.db2.gz UOVBKMNFBIVHSX-UHFFFAOYSA-N -1 3 389.807 0.963 20 0 GCADHM CCNC(=O)NC(=O)CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825471466 609448414 /nfs/dbraw/zinc/44/84/14/609448414.db2.gz UOVBKMNFBIVHSX-UHFFFAOYSA-N -1 3 389.807 0.963 20 0 GCADHM COC(=O)[C@@H]1CC(=O)N(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000826129240 609459562 /nfs/dbraw/zinc/45/95/62/609459562.db2.gz MUWDXWRYXCPJHD-CQSZACIVSA-N -1 3 399.455 0.358 20 0 GCADHM O=C(O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1=NNC(=O)CC1 ZINC000826479739 609460467 /nfs/dbraw/zinc/46/04/67/609460467.db2.gz GYHMCSQMSBTZGE-ZDUSSCGKSA-N -1 3 383.368 0.171 20 0 GCADHM O=C(O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1=NNC(=O)CC1 ZINC000826479739 609460469 /nfs/dbraw/zinc/46/04/69/609460469.db2.gz GYHMCSQMSBTZGE-ZDUSSCGKSA-N -1 3 383.368 0.171 20 0 GCADHM COC(=O)[C@@H]1CC(=O)N(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000826129710 609462084 /nfs/dbraw/zinc/46/20/84/609462084.db2.gz YWXJLUVTMZDSGD-HUUCEWRRSA-N -1 3 386.412 0.219 20 0 GCADHM COC(=O)[C@@H]1CC(=O)N(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000826129710 609462086 /nfs/dbraw/zinc/46/20/86/609462086.db2.gz YWXJLUVTMZDSGD-HUUCEWRRSA-N -1 3 386.412 0.219 20 0 GCADHM COC(=O)[C@@H]1CC(=O)N(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000826128471 609462220 /nfs/dbraw/zinc/46/22/20/609462220.db2.gz DHIZJUHGHBJPTR-MRXNPFEDSA-N -1 3 382.424 0.935 20 0 GCADHM COC(=O)[C@@H]1CC(=O)N(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826128471 609462222 /nfs/dbraw/zinc/46/22/22/609462222.db2.gz DHIZJUHGHBJPTR-MRXNPFEDSA-N -1 3 382.424 0.935 20 0 GCADHM CS(=O)(=O)NC[C@@H]1CCCN(c2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC000826223688 609462334 /nfs/dbraw/zinc/46/23/34/609462334.db2.gz WIBWLXJAKDHDHK-NSHDSACASA-N -1 3 376.446 0.280 20 0 GCADHM CS(=O)(=O)NC[C@@H]1CCCN(c2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC000826223688 609462336 /nfs/dbraw/zinc/46/23/36/609462336.db2.gz WIBWLXJAKDHDHK-NSHDSACASA-N -1 3 376.446 0.280 20 0 GCADHM CN1CC[C@H](C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826022355 609462655 /nfs/dbraw/zinc/46/26/55/609462655.db2.gz KTHGTKSJAHBVBC-DZGCQCFKSA-N -1 3 398.423 0.774 20 0 GCADHM CN1CC[C@H](C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826022355 609462657 /nfs/dbraw/zinc/46/26/57/609462657.db2.gz KTHGTKSJAHBVBC-DZGCQCFKSA-N -1 3 398.423 0.774 20 0 GCADHM O=C(CNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)NCC1CC1 ZINC000826411725 609463073 /nfs/dbraw/zinc/46/30/73/609463073.db2.gz KHOVFTOYASTDJD-UHFFFAOYSA-N -1 3 399.455 0.946 20 0 GCADHM O=C(CNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)NCC1CC1 ZINC000826411725 609463076 /nfs/dbraw/zinc/46/30/76/609463076.db2.gz KHOVFTOYASTDJD-UHFFFAOYSA-N -1 3 399.455 0.946 20 0 GCADHM O=C(CNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)NCC1CC1 ZINC000826411802 609463253 /nfs/dbraw/zinc/46/32/53/609463253.db2.gz OCWPGSCYBLQINM-HNNXBMFYSA-N -1 3 385.428 0.476 20 0 GCADHM O=C(CNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)NCC1CC1 ZINC000826411802 609463254 /nfs/dbraw/zinc/46/32/54/609463254.db2.gz OCWPGSCYBLQINM-HNNXBMFYSA-N -1 3 385.428 0.476 20 0 GCADHM O=C(CNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1)NCC1CC1 ZINC000826411841 609463460 /nfs/dbraw/zinc/46/34/60/609463460.db2.gz PPWBXVMGXKTHGP-UHFFFAOYSA-N -1 3 398.471 0.615 20 0 GCADHM O=C(CNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1)NCC1CC1 ZINC000826411841 609463462 /nfs/dbraw/zinc/46/34/62/609463462.db2.gz PPWBXVMGXKTHGP-UHFFFAOYSA-N -1 3 398.471 0.615 20 0 GCADHM C[C@H](C(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)S(C)(=O)=O ZINC000824053141 609463849 /nfs/dbraw/zinc/46/38/49/609463849.db2.gz VDAJHFQMFHSMOO-MFKMUULPSA-N -1 3 393.425 0.338 20 0 GCADHM C[C@H](C(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)S(C)(=O)=O ZINC000824053141 609463852 /nfs/dbraw/zinc/46/38/52/609463852.db2.gz VDAJHFQMFHSMOO-MFKMUULPSA-N -1 3 393.425 0.338 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825035194 609464755 /nfs/dbraw/zinc/46/47/55/609464755.db2.gz WXPIMSQSFNPMHN-SMDDNHRTSA-N -1 3 386.412 0.820 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825035194 609464758 /nfs/dbraw/zinc/46/47/58/609464758.db2.gz WXPIMSQSFNPMHN-SMDDNHRTSA-N -1 3 386.412 0.820 20 0 GCADHM COCCOCC(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826160553 609464779 /nfs/dbraw/zinc/46/47/79/609464779.db2.gz WOQXQHIALZKTJF-CQSZACIVSA-N -1 3 375.385 0.568 20 0 GCADHM COCCOCC(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826160553 609464781 /nfs/dbraw/zinc/46/47/81/609464781.db2.gz WOQXQHIALZKTJF-CQSZACIVSA-N -1 3 375.385 0.568 20 0 GCADHM CN1CCC[C@H](OC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1=O ZINC000826033546 609464903 /nfs/dbraw/zinc/46/49/03/609464903.db2.gz GUFVQWKRTANGMO-ZDUSSCGKSA-N -1 3 382.384 0.412 20 0 GCADHM CN1CCC[C@H](OC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1=O ZINC000826033546 609464905 /nfs/dbraw/zinc/46/49/05/609464905.db2.gz GUFVQWKRTANGMO-ZDUSSCGKSA-N -1 3 382.384 0.412 20 0 GCADHM Cn1nc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1=O ZINC000826366041 609465252 /nfs/dbraw/zinc/46/52/52/609465252.db2.gz PYASZYQROPYLBZ-CQSZACIVSA-N -1 3 395.379 0.313 20 0 GCADHM Cn1nc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1=O ZINC000826366041 609465254 /nfs/dbraw/zinc/46/52/54/609465254.db2.gz PYASZYQROPYLBZ-CQSZACIVSA-N -1 3 395.379 0.313 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)C(C)(C)Oc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000824706906 609471524 /nfs/dbraw/zinc/47/15/24/609471524.db2.gz LOEHMXGJLQJEGE-LLVKDONJSA-N -1 3 398.427 0.752 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000824706906 609471527 /nfs/dbraw/zinc/47/15/27/609471527.db2.gz LOEHMXGJLQJEGE-LLVKDONJSA-N -1 3 398.427 0.752 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000824731154 609472105 /nfs/dbraw/zinc/47/21/05/609472105.db2.gz SGWXOJKWPHUGPN-MNOVXSKESA-N -1 3 384.400 0.362 20 0 GCADHM NC(=O)c1cn(C2CN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)nn1 ZINC000826394038 609491232 /nfs/dbraw/zinc/49/12/32/609491232.db2.gz ULWBMFSUWSZSRS-UHFFFAOYSA-N -1 3 380.294 0.032 20 0 GCADHM NC(=O)c1cn(C2CN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)nn1 ZINC000826394038 609491234 /nfs/dbraw/zinc/49/12/34/609491234.db2.gz ULWBMFSUWSZSRS-UHFFFAOYSA-N -1 3 380.294 0.032 20 0 GCADHM O=C(c1ccccc1)N1CC(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826474681 609495669 /nfs/dbraw/zinc/49/56/69/609495669.db2.gz ZWYBOHIOTWTYHM-UHFFFAOYSA-N -1 3 398.448 0.811 20 0 GCADHM O=C(c1ccccc1)N1CC(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826474681 609495670 /nfs/dbraw/zinc/49/56/70/609495670.db2.gz ZWYBOHIOTWTYHM-UHFFFAOYSA-N -1 3 398.448 0.811 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)CCO2)no1 ZINC000826325474 609497925 /nfs/dbraw/zinc/49/79/25/609497925.db2.gz YWRCNGRHSOTFEW-LLVKDONJSA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@@H]2COCCN2CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826325401 609497971 /nfs/dbraw/zinc/49/79/71/609497971.db2.gz WKMAMDVADKTYPF-AWEZNQCLSA-N -1 3 384.400 0.248 20 0 GCADHM Cc1nc([C@@H]2COCCN2CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826325401 609497973 /nfs/dbraw/zinc/49/79/73/609497973.db2.gz WKMAMDVADKTYPF-AWEZNQCLSA-N -1 3 384.400 0.248 20 0 GCADHM Cc1nc([C@H]2COCCN2CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)no1 ZINC000826325297 609498315 /nfs/dbraw/zinc/49/83/15/609498315.db2.gz TWXDWTVPOWQYAX-LLVKDONJSA-N -1 3 388.388 0.780 20 0 GCADHM COc1c2cnn(C)c2ncc1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826166590 609502429 /nfs/dbraw/zinc/50/24/29/609502429.db2.gz RUKQTPPUPCVOFA-UHFFFAOYSA-N -1 3 394.395 0.966 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)no1 ZINC000826165198 609503079 /nfs/dbraw/zinc/50/30/79/609503079.db2.gz JQRMIUICNAZVLE-VIFPVBQESA-N -1 3 377.386 0.671 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)no1 ZINC000826165198 609503081 /nfs/dbraw/zinc/50/30/81/609503081.db2.gz JQRMIUICNAZVLE-VIFPVBQESA-N -1 3 377.386 0.671 20 0 GCADHM NC(=O)[C@@H](Cc1ccc(F)cc1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826389359 609504906 /nfs/dbraw/zinc/50/49/06/609504906.db2.gz WBTRKDMFVGFQBB-MRXNPFEDSA-N -1 3 396.430 0.619 20 0 GCADHM NC(=O)[C@@H](Cc1ccc(F)cc1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826389359 609504907 /nfs/dbraw/zinc/50/49/07/609504907.db2.gz WBTRKDMFVGFQBB-MRXNPFEDSA-N -1 3 396.430 0.619 20 0 GCADHM COC[C@@H](C)NC(=S)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826149463 609510595 /nfs/dbraw/zinc/51/05/95/609510595.db2.gz IBJHSBWQPRYPJY-BXUZGUMPSA-N -1 3 389.485 0.861 20 0 GCADHM COC[C@@H](C)NC(=S)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826149463 609510598 /nfs/dbraw/zinc/51/05/98/609510598.db2.gz IBJHSBWQPRYPJY-BXUZGUMPSA-N -1 3 389.485 0.861 20 0 GCADHM COC[C@H](C)NC(=S)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826149464 609510888 /nfs/dbraw/zinc/51/08/88/609510888.db2.gz IBJHSBWQPRYPJY-FZMZJTMJSA-N -1 3 389.485 0.861 20 0 GCADHM COC[C@H](C)NC(=S)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826149464 609510889 /nfs/dbraw/zinc/51/08/89/609510889.db2.gz IBJHSBWQPRYPJY-FZMZJTMJSA-N -1 3 389.485 0.861 20 0 GCADHM CN(CC(=O)NCc1ccco1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825892832 609511919 /nfs/dbraw/zinc/51/19/19/609511919.db2.gz VJTRTKZDVBXKPJ-UHFFFAOYSA-N -1 3 390.425 0.538 20 0 GCADHM CN(CC(=O)NCc1ccco1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825892832 609511922 /nfs/dbraw/zinc/51/19/22/609511922.db2.gz VJTRTKZDVBXKPJ-UHFFFAOYSA-N -1 3 390.425 0.538 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000824738464 609514220 /nfs/dbraw/zinc/51/42/20/609514220.db2.gz PAKSPWRTMBLLSE-FZMZJTMJSA-N -1 3 379.442 0.718 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCN(Cc2ccccn2)CC1 ZINC000826495457 609516534 /nfs/dbraw/zinc/51/65/34/609516534.db2.gz PNRQTKHEWTZAFM-UHFFFAOYSA-N -1 3 385.453 0.768 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCN(Cc2ccccn2)CC1 ZINC000826495457 609516536 /nfs/dbraw/zinc/51/65/36/609516536.db2.gz PNRQTKHEWTZAFM-UHFFFAOYSA-N -1 3 385.453 0.768 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826159749 609537001 /nfs/dbraw/zinc/53/70/01/609537001.db2.gz QJTFBWLYZMSRBY-UHFFFAOYSA-N -1 3 386.865 0.473 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826159749 609537004 /nfs/dbraw/zinc/53/70/04/609537004.db2.gz QJTFBWLYZMSRBY-UHFFFAOYSA-N -1 3 386.865 0.473 20 0 GCADHM O=S(=O)(NCCNc1ncccn1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826491442 609541840 /nfs/dbraw/zinc/54/18/40/609541840.db2.gz JJUBFIODCVRPSQ-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=S(=O)(NCCNc1ncccn1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826491442 609541843 /nfs/dbraw/zinc/54/18/43/609541843.db2.gz JJUBFIODCVRPSQ-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=S(=O)(NCCNc1cnccn1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826491344 609542034 /nfs/dbraw/zinc/54/20/34/609542034.db2.gz FBSMCKFAQKSHFH-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=S(=O)(NCCNc1cnccn1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826491344 609542036 /nfs/dbraw/zinc/54/20/36/609542036.db2.gz FBSMCKFAQKSHFH-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM CN(CCN1CCCC1=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825937354 609545600 /nfs/dbraw/zinc/54/56/00/609545600.db2.gz AOYCFNSJZLLZEO-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM CN(CCN1CCCC1=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825937354 609545602 /nfs/dbraw/zinc/54/56/02/609545602.db2.gz AOYCFNSJZLLZEO-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826491610 609549155 /nfs/dbraw/zinc/54/91/55/609549155.db2.gz RQOBOIJCNOMIRT-NSHDSACASA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826491610 609549157 /nfs/dbraw/zinc/54/91/57/609549157.db2.gz RQOBOIJCNOMIRT-NSHDSACASA-N -1 3 387.849 0.994 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1=O ZINC000824898526 609551345 /nfs/dbraw/zinc/55/13/45/609551345.db2.gz FNAAXBPLUATNLO-QRTLGDNMSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1=O ZINC000824898526 609551348 /nfs/dbraw/zinc/55/13/48/609551348.db2.gz FNAAXBPLUATNLO-QRTLGDNMSA-N -1 3 396.860 0.808 20 0 GCADHM Cc1cc(C(=O)N2CCN(CCO)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257652 609554293 /nfs/dbraw/zinc/55/42/93/609554293.db2.gz KSGDCAUEFCIVLF-UHFFFAOYSA-N -1 3 382.428 0.111 20 0 GCADHM Cc1cc(C(=O)N2CCN(CCO)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257652 609554297 /nfs/dbraw/zinc/55/42/97/609554297.db2.gz KSGDCAUEFCIVLF-UHFFFAOYSA-N -1 3 382.428 0.111 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826389642 609554846 /nfs/dbraw/zinc/55/48/46/609554846.db2.gz DHUASFVCFDVVPZ-MWLCHTKSSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826389642 609554848 /nfs/dbraw/zinc/55/48/48/609554848.db2.gz DHUASFVCFDVVPZ-MWLCHTKSSA-N -1 3 384.849 0.843 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCOC1 ZINC000826124522 609556543 /nfs/dbraw/zinc/55/65/43/609556543.db2.gz SHOLSUZIFOPXIH-CYBMUJFWSA-N -1 3 387.805 0.131 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCOC1 ZINC000826124522 609556545 /nfs/dbraw/zinc/55/65/45/609556545.db2.gz SHOLSUZIFOPXIH-CYBMUJFWSA-N -1 3 387.805 0.131 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824406241 609556923 /nfs/dbraw/zinc/55/69/23/609556923.db2.gz GNQNRDAOUKMXCE-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824406241 609556926 /nfs/dbraw/zinc/55/69/26/609556926.db2.gz GNQNRDAOUKMXCE-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)C[C@@H]21 ZINC000826044846 609557868 /nfs/dbraw/zinc/55/78/68/609557868.db2.gz LDZXQIRJBPHQPF-RYUDHWBXSA-N -1 3 384.849 0.224 20 0 GCADHM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)C[C@@H]21 ZINC000826044846 609557870 /nfs/dbraw/zinc/55/78/70/609557870.db2.gz LDZXQIRJBPHQPF-RYUDHWBXSA-N -1 3 384.849 0.224 20 0 GCADHM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826227793 609563152 /nfs/dbraw/zinc/56/31/52/609563152.db2.gz XVFVRFRQIYECLX-GMSGAONNSA-N -1 3 377.879 0.911 20 0 GCADHM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826227793 609563153 /nfs/dbraw/zinc/56/31/53/609563153.db2.gz XVFVRFRQIYECLX-GMSGAONNSA-N -1 3 377.879 0.911 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826255598 609571112 /nfs/dbraw/zinc/57/11/12/609571112.db2.gz DCHBTKSSNHLDOB-HUUCEWRRSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826255598 609571114 /nfs/dbraw/zinc/57/11/14/609571114.db2.gz DCHBTKSSNHLDOB-HUUCEWRRSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826255599 609571422 /nfs/dbraw/zinc/57/14/22/609571422.db2.gz DCHBTKSSNHLDOB-LSDHHAIUSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826255599 609571424 /nfs/dbraw/zinc/57/14/24/609571424.db2.gz DCHBTKSSNHLDOB-LSDHHAIUSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258068 609577057 /nfs/dbraw/zinc/57/70/57/609577057.db2.gz YEGLOHYARAYTPT-SJORKVTESA-N -1 3 394.439 0.516 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258068 609577059 /nfs/dbraw/zinc/57/70/59/609577059.db2.gz YEGLOHYARAYTPT-SJORKVTESA-N -1 3 394.439 0.516 20 0 GCADHM O=C1[C@@H](Nc2ccc3nnnn3n2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477554 609577491 /nfs/dbraw/zinc/57/74/91/609577491.db2.gz GKSKMRNIRYVODB-LBPRGKRZSA-N -1 3 377.372 0.307 20 0 GCADHM O=C1[C@@H](Nc2ccc3nnnn3n2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477554 609577492 /nfs/dbraw/zinc/57/74/92/609577492.db2.gz GKSKMRNIRYVODB-LBPRGKRZSA-N -1 3 377.372 0.307 20 0 GCADHM O=C1[C@H](Nc2nccn3nnnc23)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477874 609577980 /nfs/dbraw/zinc/57/79/80/609577980.db2.gz OACBKSMUMQEDLG-GFCCVEGCSA-N -1 3 377.372 0.307 20 0 GCADHM O=C1[C@H](Nc2nccn3nnnc23)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477874 609577982 /nfs/dbraw/zinc/57/79/82/609577982.db2.gz OACBKSMUMQEDLG-GFCCVEGCSA-N -1 3 377.372 0.307 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258845 609579287 /nfs/dbraw/zinc/57/92/87/609579287.db2.gz YZZRNQLPNKMVTN-GUYCJALGSA-N -1 3 396.455 0.810 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258845 609579289 /nfs/dbraw/zinc/57/92/89/609579289.db2.gz YZZRNQLPNKMVTN-GUYCJALGSA-N -1 3 396.455 0.810 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CN1C1CC1 ZINC000826479147 609583470 /nfs/dbraw/zinc/58/34/70/609583470.db2.gz RLTMWUKDZYVIPD-SECBINFHSA-N -1 3 396.860 0.809 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CN1C1CC1 ZINC000826479147 609583472 /nfs/dbraw/zinc/58/34/72/609583472.db2.gz RLTMWUKDZYVIPD-SECBINFHSA-N -1 3 396.860 0.809 20 0 GCADHM CCCN(C)S(=O)(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825300849 609584190 /nfs/dbraw/zinc/58/41/90/609584190.db2.gz FBTMYZPPKBXZSI-CQSZACIVSA-N -1 3 393.473 0.538 20 0 GCADHM CC(C)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1=O ZINC000824301390 609584457 /nfs/dbraw/zinc/58/44/57/609584457.db2.gz WWUGGKVOYHVILS-UHFFFAOYSA-N -1 3 384.849 0.761 20 0 GCADHM CC(C)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1=O ZINC000824301390 609584460 /nfs/dbraw/zinc/58/44/60/609584460.db2.gz WWUGGKVOYHVILS-UHFFFAOYSA-N -1 3 384.849 0.761 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CN1C1CC1 ZINC000826479034 609585731 /nfs/dbraw/zinc/58/57/31/609585731.db2.gz OSSJNICPWSZYHA-SECBINFHSA-N -1 3 380.405 0.295 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CN1C1CC1 ZINC000826478886 609585919 /nfs/dbraw/zinc/58/59/19/609585919.db2.gz LJOZRWAIILKWTL-VIFPVBQESA-N -1 3 380.405 0.295 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CN1C1CC1 ZINC000826478886 609585920 /nfs/dbraw/zinc/58/59/20/609585920.db2.gz LJOZRWAIILKWTL-VIFPVBQESA-N -1 3 380.405 0.295 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)CC2CC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477025 609588236 /nfs/dbraw/zinc/58/82/36/609588236.db2.gz UKOKZIGZIJGOHY-AWEZNQCLSA-N -1 3 376.442 0.692 20 0 GCADHM O=C(NC1CCOCC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826431968 609594069 /nfs/dbraw/zinc/59/40/69/609594069.db2.gz PFBOPMICGVZBEZ-OAHLLOKOSA-N -1 3 385.428 0.840 20 0 GCADHM O=C(NC1CCOCC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826431968 609594072 /nfs/dbraw/zinc/59/40/72/609594072.db2.gz PFBOPMICGVZBEZ-OAHLLOKOSA-N -1 3 385.428 0.840 20 0 GCADHM O=C(NCc1cocn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826443155 609603490 /nfs/dbraw/zinc/60/34/90/609603490.db2.gz CZDZVVPBYMLDFN-CQSZACIVSA-N -1 3 382.384 0.850 20 0 GCADHM O=C(NCc1cocn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826443155 609603492 /nfs/dbraw/zinc/60/34/92/609603492.db2.gz CZDZVVPBYMLDFN-CQSZACIVSA-N -1 3 382.384 0.850 20 0 GCADHM O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826431187 609609552 /nfs/dbraw/zinc/60/95/52/609609552.db2.gz UHHXVLCPWBFGJR-BJJXKVORSA-N -1 3 397.439 0.598 20 0 GCADHM O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826431187 609609553 /nfs/dbraw/zinc/60/95/53/609609553.db2.gz UHHXVLCPWBFGJR-BJJXKVORSA-N -1 3 397.439 0.598 20 0 GCADHM C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825022214 609615647 /nfs/dbraw/zinc/61/56/47/609615647.db2.gz WXNKZRKHIWOCOL-NILFDRSVSA-N -1 3 385.428 0.839 20 0 GCADHM C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825022214 609615650 /nfs/dbraw/zinc/61/56/50/609615650.db2.gz WXNKZRKHIWOCOL-NILFDRSVSA-N -1 3 385.428 0.839 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCO2)no1 ZINC000826325279 609622555 /nfs/dbraw/zinc/62/25/55/609622555.db2.gz SPAOHENLKINNJJ-ZDUSSCGKSA-N -1 3 398.383 0.405 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCO2)no1 ZINC000826325279 609622557 /nfs/dbraw/zinc/62/25/57/609622557.db2.gz SPAOHENLKINNJJ-ZDUSSCGKSA-N -1 3 398.383 0.405 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826132605 609624242 /nfs/dbraw/zinc/62/42/42/609624242.db2.gz FCMATGWMNSQZLR-UONOGXRCSA-N -1 3 387.396 0.362 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826132605 609624243 /nfs/dbraw/zinc/62/42/43/609624243.db2.gz FCMATGWMNSQZLR-UONOGXRCSA-N -1 3 387.396 0.362 20 0 GCADHM Cc1cc(C(=O)OCCCS(C)(=O)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261834 609625723 /nfs/dbraw/zinc/62/57/23/609625723.db2.gz USNMCIKLFGZVMT-UHFFFAOYSA-N -1 3 390.425 0.952 20 0 GCADHM Cc1cc(C(=O)OCCCS(C)(=O)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261834 609625724 /nfs/dbraw/zinc/62/57/24/609625724.db2.gz USNMCIKLFGZVMT-UHFFFAOYSA-N -1 3 390.425 0.952 20 0 GCADHM Cc1cc(C(=O)OCCNS(C)(=O)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261668 609625739 /nfs/dbraw/zinc/62/57/39/609625739.db2.gz MVGWOGAASGDRBB-UHFFFAOYSA-N -1 3 391.413 0.067 20 0 GCADHM Cc1cc(C(=O)OCCNS(C)(=O)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261668 609625741 /nfs/dbraw/zinc/62/57/41/609625741.db2.gz MVGWOGAASGDRBB-UHFFFAOYSA-N -1 3 391.413 0.067 20 0 GCADHM Cc1cc(C(=O)O[C@H](C)C(=O)NC(N)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261241 609626031 /nfs/dbraw/zinc/62/60/31/609626031.db2.gz XIWPVIFOBNKOKN-SECBINFHSA-N -1 3 384.356 0.101 20 0 GCADHM Cc1cc(C(=O)O[C@H](C)C(=O)NC(N)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261241 609626032 /nfs/dbraw/zinc/62/60/32/609626032.db2.gz XIWPVIFOBNKOKN-SECBINFHSA-N -1 3 384.356 0.101 20 0 GCADHM COc1ccc(CNC(=O)COC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826197689 609630278 /nfs/dbraw/zinc/63/02/78/609630278.db2.gz ZNVVHNHQSACWGA-QGZVFWFLSA-N -1 3 397.391 0.768 20 0 GCADHM COc1ccc(CNC(=O)COC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826197689 609630280 /nfs/dbraw/zinc/63/02/80/609630280.db2.gz ZNVVHNHQSACWGA-QGZVFWFLSA-N -1 3 397.391 0.768 20 0 GCADHM O=C(OCN1C(=O)c2ccccc2C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464168 609630646 /nfs/dbraw/zinc/63/06/46/609630646.db2.gz LDFYRXFELMWWHI-CQSZACIVSA-N -1 3 379.332 0.697 20 0 GCADHM O=C(OCN1C(=O)c2ccccc2C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464168 609630647 /nfs/dbraw/zinc/63/06/47/609630647.db2.gz LDFYRXFELMWWHI-CQSZACIVSA-N -1 3 379.332 0.697 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826333894 609635180 /nfs/dbraw/zinc/63/51/80/609635180.db2.gz YUPQCHJCHLPBQF-NHYWBVRUSA-N -1 3 399.411 0.821 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826333894 609635181 /nfs/dbraw/zinc/63/51/81/609635181.db2.gz YUPQCHJCHLPBQF-NHYWBVRUSA-N -1 3 399.411 0.821 20 0 GCADHM Cc1ccc2nc(COC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)cc(=O)n2c1 ZINC000826295685 609637069 /nfs/dbraw/zinc/63/70/69/609637069.db2.gz SZQUUEXDMASLCS-QGZVFWFLSA-N -1 3 392.375 0.960 20 0 GCADHM Cc1ccc2nc(COC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc(=O)n2c1 ZINC000826295685 609637070 /nfs/dbraw/zinc/63/70/70/609637070.db2.gz SZQUUEXDMASLCS-QGZVFWFLSA-N -1 3 392.375 0.960 20 0 GCADHM O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826461668 609638428 /nfs/dbraw/zinc/63/84/28/609638428.db2.gz CSVSATNFIBBDJE-GHMZBOCLSA-N -1 3 385.302 0.607 20 0 GCADHM O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826461668 609638430 /nfs/dbraw/zinc/63/84/30/609638430.db2.gz CSVSATNFIBBDJE-GHMZBOCLSA-N -1 3 385.302 0.607 20 0 GCADHM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000824690456 609640174 /nfs/dbraw/zinc/64/01/74/609640174.db2.gz SFIYLPHPHLRXAE-SCZZXKLOSA-N -1 3 396.354 0.636 20 0 GCADHM C[C@@H](O)[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000824690456 609640176 /nfs/dbraw/zinc/64/01/76/609640176.db2.gz SFIYLPHPHLRXAE-SCZZXKLOSA-N -1 3 396.354 0.636 20 0 GCADHM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866850143 638432616 /nfs/dbraw/zinc/43/26/16/638432616.db2.gz VPXUWVFWERKWBS-SFYZADRCSA-N -1 3 387.243 0.710 20 0 GCADHM Cn1ncc(Br)c1CC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000890534398 638433615 /nfs/dbraw/zinc/43/36/15/638433615.db2.gz SMEYSXBHWUUIGK-VIFPVBQESA-N -1 3 381.234 0.616 20 0 GCADHM CCC[C@H](NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(N)=O ZINC000804808317 638451589 /nfs/dbraw/zinc/45/15/89/638451589.db2.gz HJMFBLIRCCSBID-ZJUUUORDSA-N -1 3 376.866 0.562 20 0 GCADHM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2O)c1I ZINC000866883726 638610921 /nfs/dbraw/zinc/61/09/21/638610921.db2.gz CREZKFRPXTVXES-JGVFFNPUSA-N -1 3 385.227 0.464 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2cnn(C)c2Br)CC1=O ZINC000866892442 638628517 /nfs/dbraw/zinc/62/85/17/638628517.db2.gz HXUGMMNZWGPGBH-HLTSFMKQSA-N -1 3 377.264 0.470 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@@H](C2OCCO2)C1 ZINC000928003210 638688377 /nfs/dbraw/zinc/68/83/77/638688377.db2.gz MOGDIYPDWTUZKD-SECBINFHSA-N -1 3 380.875 0.901 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCOCCN1 ZINC000894769648 638710876 /nfs/dbraw/zinc/71/08/76/638710876.db2.gz PTBYAMRVFHUGKD-UHFFFAOYSA-N -1 3 397.284 0.818 20 0 GCADHM CS(=O)(=O)CCN1CCC([N-]S(=O)(=O)c2cccnc2Cl)CC1 ZINC000738376884 638716064 /nfs/dbraw/zinc/71/60/64/638716064.db2.gz FHJGGTTYVNYGJU-UHFFFAOYSA-N -1 3 381.907 0.522 20 0 GCADHM O=c1cc(N2CCN(c3ncc(I)cn3)CC2)nc[n-]1 ZINC000894905191 638717457 /nfs/dbraw/zinc/71/74/57/638717457.db2.gz BRKDXOCYODLURP-UHFFFAOYSA-N -1 3 384.181 0.903 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)OCCn1cncn1 ZINC000727189595 638741289 /nfs/dbraw/zinc/74/12/89/638741289.db2.gz GBWYEHGXMLUEOQ-UHFFFAOYSA-N -1 3 395.260 0.624 20 0 GCADHM CC[S@](C)(=O)=NS(=O)(=O)[N-]CC1CCN(C(=O)C(F)(F)F)CC1 ZINC000866905643 639076166 /nfs/dbraw/zinc/07/61/66/639076166.db2.gz ZYFGAEBUPWOEAT-QFIPXVFZSA-N -1 3 379.426 0.739 20 0 GCADHM CS(=O)(=O)CCCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000728620189 639091120 /nfs/dbraw/zinc/09/11/20/639091120.db2.gz DMZGFJLTCJHCQO-UHFFFAOYSA-N -1 3 379.431 0.858 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000121294115 639092868 /nfs/dbraw/zinc/09/28/68/639092868.db2.gz QCZFFNPPIHYHLY-LLVKDONJSA-N -1 3 386.177 0.288 20 0 GCADHM 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ZINC000774784902 1205913857 /nfs/dbraw/zinc/91/38/57/1205913857.db2.gz QYTVTGFZAZZENK-YPMHNXCESA-N -1 3 388.417 0.526 20 0 GCADHM CC1(C)O[C@@H]2[C@@H](OCCO)C[C@@H]([N-]S(=O)(=O)c3cnc(Cl)nc3)[C@@H]2O1 ZINC001185063438 1205916035 /nfs/dbraw/zinc/91/60/35/1205916035.db2.gz QLQORBJECYTOHF-NOOOWODRSA-N -1 3 393.849 0.078 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@](O)(C[N-]S(=O)(=O)c2cnc(Cl)nc2)C1 ZINC001185063902 1205916069 /nfs/dbraw/zinc/91/60/69/1205916069.db2.gz USSRNLQCEDTHKM-CQSZACIVSA-N -1 3 392.865 0.780 20 0 GCADHM O=C(N1CCOCC1)N1CCC([N-]S(=O)(=O)c2cnc(Cl)nc2)CC1 ZINC001185058792 1205916120 /nfs/dbraw/zinc/91/61/20/1205916120.db2.gz DFXJBKHSOUYPNK-UHFFFAOYSA-N -1 3 389.865 0.325 20 0 GCADHM Cn1c(=O)cc([N-]S(=O)(=O)c2cnc(Cl)nc2)n(-c2ccccc2)c1=O ZINC001185067271 1205916617 /nfs/dbraw/zinc/91/66/17/1205916617.db2.gz PDALBVWIOWTTTG-UHFFFAOYSA-N -1 3 393.812 0.780 20 0 GCADHM COC[C@H](C[N-]S(=O)(=O)c1cnc(Cl)nc1)NC(=O)OC(C)(C)C ZINC001185066753 1205916712 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O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1c1ccccn1 ZINC001185593347 1205925354 /nfs/dbraw/zinc/92/53/54/1205925354.db2.gz RPGXDKMXNXWPCH-UHFFFAOYSA-N -1 3 385.409 0.299 20 0 GCADHM CN(C)C1=NOC2(C1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001185578745 1205925803 /nfs/dbraw/zinc/92/58/03/1205925803.db2.gz MPCJFLWGARTVKP-UHFFFAOYSA-N -1 3 391.457 0.685 20 0 GCADHM CN(C)C1=NOC2(C1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185578745 1205925806 /nfs/dbraw/zinc/92/58/06/1205925806.db2.gz MPCJFLWGARTVKP-UHFFFAOYSA-N -1 3 391.457 0.685 20 0 GCADHM CCN1CC[C@@]2(CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)C1=O ZINC001185579024 1205926028 /nfs/dbraw/zinc/92/60/28/1205926028.db2.gz SRCZREZSDNHWSE-QGZVFWFLSA-N -1 3 390.469 0.890 20 0 GCADHM CCN1CC[C@@]2(CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC001185579024 1205926029 /nfs/dbraw/zinc/92/60/29/1205926029.db2.gz SRCZREZSDNHWSE-QGZVFWFLSA-N -1 3 390.469 0.890 20 0 GCADHM O=C(C1CCC1)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185631287 1205926057 /nfs/dbraw/zinc/92/60/57/1205926057.db2.gz BTVWYWDDRWUDPW-UHFFFAOYSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(C1CCC1)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185631287 1205926058 /nfs/dbraw/zinc/92/60/58/1205926058.db2.gz BTVWYWDDRWUDPW-UHFFFAOYSA-N -1 3 390.469 0.936 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001185579636 1205926062 /nfs/dbraw/zinc/92/60/62/1205926062.db2.gz ZTXCUSKLDOHVAR-ZIAGYGMSSA-N -1 3 398.452 0.414 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001185579636 1205926063 /nfs/dbraw/zinc/92/60/63/1205926063.db2.gz ZTXCUSKLDOHVAR-ZIAGYGMSSA-N -1 3 398.452 0.414 20 0 GCADHM COCC(=O)N[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185631458 1205926231 /nfs/dbraw/zinc/92/62/31/1205926231.db2.gz HMGOCFQWVLZYIM-JOCQHMNTSA-N -1 3 394.457 0.219 20 0 GCADHM COCC(=O)N[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185631458 1205926232 /nfs/dbraw/zinc/92/62/32/1205926232.db2.gz HMGOCFQWVLZYIM-JOCQHMNTSA-N -1 3 394.457 0.219 20 0 GCADHM CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185622071 1205926992 /nfs/dbraw/zinc/92/69/92/1205926992.db2.gz IBRIVVZZLGDLCQ-UHFFFAOYSA-N -1 3 380.430 0.766 20 0 GCADHM CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185622071 1205926994 /nfs/dbraw/zinc/92/69/94/1205926994.db2.gz IBRIVVZZLGDLCQ-UHFFFAOYSA-N -1 3 380.430 0.766 20 0 GCADHM O=C1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CN1Cc1ccccc1 ZINC001185622767 1205927077 /nfs/dbraw/zinc/92/70/77/1205927077.db2.gz PUNJZTIVLTZMLL-HNNXBMFYSA-N -1 3 398.448 0.946 20 0 GCADHM O=C1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CN1Cc1ccccc1 ZINC001185622767 1205927078 /nfs/dbraw/zinc/92/70/78/1205927078.db2.gz PUNJZTIVLTZMLL-HNNXBMFYSA-N -1 3 398.448 0.946 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CN1Cc1ccccc1 ZINC001185622768 1205927108 /nfs/dbraw/zinc/92/71/08/1205927108.db2.gz PUNJZTIVLTZMLL-OAHLLOKOSA-N -1 3 398.448 0.946 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CN1Cc1ccccc1 ZINC001185622768 1205927109 /nfs/dbraw/zinc/92/71/09/1205927109.db2.gz PUNJZTIVLTZMLL-OAHLLOKOSA-N -1 3 398.448 0.946 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](O)c1cccc(O)c1 ZINC001185624812 1205927291 /nfs/dbraw/zinc/92/72/91/1205927291.db2.gz YSYQVPYWAJCRRP-BONVTDFDSA-N -1 3 375.410 0.973 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](O)c1cccc(O)c1 ZINC001185624812 1205927293 /nfs/dbraw/zinc/92/72/93/1205927293.db2.gz YSYQVPYWAJCRRP-BONVTDFDSA-N -1 3 375.410 0.973 20 0 GCADHM COc1cccc(C[C@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001185624404 1205927326 /nfs/dbraw/zinc/92/73/26/1205927326.db2.gz VALBEZQVOGPOGD-CQSZACIVSA-N -1 3 389.437 0.757 20 0 GCADHM COc1cccc(C[C@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001185624404 1205927327 /nfs/dbraw/zinc/92/73/27/1205927327.db2.gz VALBEZQVOGPOGD-CQSZACIVSA-N -1 3 389.437 0.757 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N=c1ncnc2[nH][n-]cc1-2)C(C)C ZINC001185672027 1205927789 /nfs/dbraw/zinc/92/77/89/1205927789.db2.gz UPCSEWBWPGOYKL-RYUDHWBXSA-N -1 3 389.416 0.037 20 0 GCADHM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N=c1ncnc2[nH][n-]cc1-2 ZINC001185828319 1205929399 /nfs/dbraw/zinc/92/93/99/1205929399.db2.gz SRIROQIWJLJUOL-NWDGAFQWSA-N -1 3 390.400 0.464 20 0 GCADHM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001185850981 1205930876 /nfs/dbraw/zinc/93/08/76/1205930876.db2.gz ZJOGUGRMIOCTIH-ZIAGYGMSSA-N -1 3 396.444 0.881 20 0 GCADHM CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001185850979 1205931040 /nfs/dbraw/zinc/93/10/40/1205931040.db2.gz ZJOGUGRMIOCTIH-KGLIPLIRSA-N -1 3 396.444 0.881 20 0 GCADHM C[C@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)NCc1ccco1 ZINC001186260839 1205936910 /nfs/dbraw/zinc/93/69/10/1205936910.db2.gz DTDRKBWOUBUPED-QMMMGPOBSA-N -1 3 391.247 0.759 20 0 GCADHM CCS(=O)(=O)c1cnc(C[N-]S(=O)(=O)c2ccc3nsnc3c2)nc1 ZINC001186284546 1205937457 /nfs/dbraw/zinc/93/74/57/1205937457.db2.gz AQGFXYIVNINRMS-UHFFFAOYSA-N -1 3 399.479 0.753 20 0 GCADHM O=C1CO[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CN1 ZINC001186352630 1205938254 /nfs/dbraw/zinc/93/82/54/1205938254.db2.gz LIMBDZAEGMCUPD-ZCFIWIBFSA-N -1 3 384.639 0.291 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)N=c2ncnc3[nH][n-]cc2-3)C1 ZINC001186483090 1205940148 /nfs/dbraw/zinc/94/01/48/1205940148.db2.gz CCVUJSZDDZTETC-UHTWSYAYSA-N -1 3 388.428 0.937 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001186502670 1205940727 /nfs/dbraw/zinc/94/07/27/1205940727.db2.gz NKSIVYOVBNSMOI-QPSCCSFWSA-N -1 3 394.472 0.887 20 0 GCADHM Cc1nc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC001186572383 1205942285 /nfs/dbraw/zinc/94/22/85/1205942285.db2.gz PRRYITHEFZSNLZ-NSHDSACASA-N -1 3 379.417 0.945 20 0 GCADHM Cn1cc(N2C[C@@]3(CCN(C(=O)c4ccccc4-c4nnn[n-]4)C3)CC2=O)cn1 ZINC001186991132 1205953928 /nfs/dbraw/zinc/95/39/28/1205953928.db2.gz 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C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820804032 945558991 /nfs/dbraw/zinc/55/89/91/945558991.db2.gz LMSRKISOYVKLTE-WPRPVWTQSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820804032 945558997 /nfs/dbraw/zinc/55/89/97/945558997.db2.gz LMSRKISOYVKLTE-WPRPVWTQSA-N -1 3 380.792 0.067 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](O)c2cnn(C)c2)cc1-c1nnn[n-]1 ZINC001571267072 945561116 /nfs/dbraw/zinc/56/11/16/945561116.db2.gz IMYQKPHRYFHEDF-ZDUSSCGKSA-N -1 3 386.372 0.841 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](O)c2cnn(C)c2)cc1-c1nn[n-]n1 ZINC001571267072 945561120 /nfs/dbraw/zinc/56/11/20/945561120.db2.gz IMYQKPHRYFHEDF-ZDUSSCGKSA-N -1 3 386.372 0.841 20 0 GCADHM CN(C(=O)c1cn(C)c(=O)[nH]1)[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571267216 945564935 /nfs/dbraw/zinc/56/49/35/945564935.db2.gz MUFSLBBTPIMKGN-JTQLQIEISA-N -1 3 386.391 0.796 20 0 GCADHM CN(C(=O)c1cn(C)c(=O)[nH]1)[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571267216 945564946 /nfs/dbraw/zinc/56/49/46/945564946.db2.gz MUFSLBBTPIMKGN-JTQLQIEISA-N -1 3 386.391 0.796 20 0 GCADHM COc1nc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)co1 ZINC001571267253 945565526 /nfs/dbraw/zinc/56/55/26/945565526.db2.gz NVVHESCHFMBOJJ-SECBINFHSA-N -1 3 386.372 0.178 20 0 GCADHM COc1nc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)co1 ZINC001571267253 945565534 /nfs/dbraw/zinc/56/55/34/945565534.db2.gz NVVHESCHFMBOJJ-SECBINFHSA-N -1 3 386.372 0.178 20 0 GCADHM COc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)on1 ZINC001571267286 945566789 /nfs/dbraw/zinc/56/67/89/945566789.db2.gz PKLWNDVUIXMRJN-RKDXNWHRSA-N -1 3 386.372 0.224 20 0 GCADHM COc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)on1 ZINC001571267286 945566796 /nfs/dbraw/zinc/56/67/96/945566796.db2.gz PKLWNDVUIXMRJN-RKDXNWHRSA-N -1 3 386.372 0.224 20 0 GCADHM O=C(N[C@H]1CCN(CC=C(Cl)Cl)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571267305 945567162 /nfs/dbraw/zinc/56/71/62/945567162.db2.gz PZEWVCGDXVBHHC-GXSJLCMTSA-N -1 3 386.243 0.679 20 0 GCADHM O=C(N[C@H]1CCN(CC=C(Cl)Cl)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571267305 945567168 /nfs/dbraw/zinc/56/71/68/945567168.db2.gz PZEWVCGDXVBHHC-GXSJLCMTSA-N -1 3 386.243 0.679 20 0 GCADHM O=C(N[C@@H]1CCN(CC=C(Cl)Cl)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571267306 945567341 /nfs/dbraw/zinc/56/73/41/945567341.db2.gz PZEWVCGDXVBHHC-KOLCDFICSA-N -1 3 386.243 0.679 20 0 GCADHM O=C(N[C@@H]1CCN(CC=C(Cl)Cl)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571267306 945567351 /nfs/dbraw/zinc/56/73/51/945567351.db2.gz PZEWVCGDXVBHHC-KOLCDFICSA-N -1 3 386.243 0.679 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820838080 945567923 /nfs/dbraw/zinc/56/79/23/945567923.db2.gz PPNJKOLRTRYWDK-SNVBAGLBSA-N -1 3 391.819 0.586 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820838080 945567926 /nfs/dbraw/zinc/56/79/26/945567926.db2.gz PPNJKOLRTRYWDK-SNVBAGLBSA-N -1 3 391.819 0.586 20 0 GCADHM CCOc1cc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)[nH]n1 ZINC001571267369 945569250 /nfs/dbraw/zinc/56/92/50/945569250.db2.gz SBFVGGWYKQVVND-UHFFFAOYSA-N -1 3 386.391 0.742 20 0 GCADHM CCOc1cc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)[nH]n1 ZINC001571267369 945569256 /nfs/dbraw/zinc/56/92/56/945569256.db2.gz SBFVGGWYKQVVND-UHFFFAOYSA-N -1 3 386.391 0.742 20 0 GCADHM CC(=O)Nc1cc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)ccc1F ZINC001571267607 945575022 /nfs/dbraw/zinc/57/50/22/945575022.db2.gz ZUVZXTSPXAUZPQ-UHFFFAOYSA-N -1 3 386.347 0.943 20 0 GCADHM CC(=O)Nc1cc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)ccc1F ZINC001571267607 945575028 /nfs/dbraw/zinc/57/50/28/945575028.db2.gz ZUVZXTSPXAUZPQ-UHFFFAOYSA-N -1 3 386.347 0.943 20 0 GCADHM CCO[C@@H]1COC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571267870 945580983 /nfs/dbraw/zinc/58/09/83/945580983.db2.gz HHOLZIYAJNJEES-BPLDGKMQSA-N -1 3 386.412 0.140 20 0 GCADHM CCO[C@@H]1COC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571267870 945580987 /nfs/dbraw/zinc/58/09/87/945580987.db2.gz HHOLZIYAJNJEES-BPLDGKMQSA-N -1 3 386.412 0.140 20 0 GCADHM CCc1nocc1CN1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571267983 945584032 /nfs/dbraw/zinc/58/40/32/945584032.db2.gz KIMUBAIMDKFWJC-GFCCVEGCSA-N -1 3 386.416 0.376 20 0 GCADHM CCc1nocc1CN1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571267983 945584039 /nfs/dbraw/zinc/58/40/39/945584039.db2.gz KIMUBAIMDKFWJC-GFCCVEGCSA-N -1 3 386.416 0.376 20 0 GCADHM O=C(Cn1cncn1)N1CCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571268004 945585659 /nfs/dbraw/zinc/58/56/59/945585659.db2.gz LAGMTCASMAPELK-GFCCVEGCSA-N -1 3 386.395 0.486 20 0 GCADHM O=C(Cn1cncn1)N1CCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571268004 945585666 /nfs/dbraw/zinc/58/56/66/945585666.db2.gz LAGMTCASMAPELK-GFCCVEGCSA-N -1 3 386.395 0.486 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@H]2O)[nH]1 ZINC001571268082 945587941 /nfs/dbraw/zinc/58/79/41/945587941.db2.gz NKXOPUIHPJHBSU-HUUCEWRRSA-N -1 3 386.391 0.012 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C[C@H]2O)[nH]1 ZINC001571268082 945587947 /nfs/dbraw/zinc/58/79/47/945587947.db2.gz NKXOPUIHPJHBSU-HUUCEWRRSA-N -1 3 386.391 0.012 20 0 GCADHM CC[C@H](O)CN1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820932961 945591112 /nfs/dbraw/zinc/59/11/12/945591112.db2.gz RPZYEADLPWSJQU-JSGCOSHPSA-N -1 3 391.501 0.422 20 0 GCADHM CN(C)c1noc(CNC2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571268381 945594241 /nfs/dbraw/zinc/59/42/41/945594241.db2.gz FOAUZCPBBHKNTQ-UHFFFAOYSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001571268428 945595211 /nfs/dbraw/zinc/59/52/11/945595211.db2.gz RQVFVCBSMRIVTK-GHMZBOCLSA-N -1 3 386.395 0.514 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001571268428 945595219 /nfs/dbraw/zinc/59/52/19/945595219.db2.gz RQVFVCBSMRIVTK-GHMZBOCLSA-N -1 3 386.395 0.514 20 0 GCADHM Cc1cnc([C@H](C)NC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)o1 ZINC001571268553 945597727 /nfs/dbraw/zinc/59/77/27/945597727.db2.gz HFZAEQDTXQEPSA-RYUDHWBXSA-N -1 3 386.416 0.683 20 0 GCADHM Cc1cnc([C@H](C)NC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)o1 ZINC001571268553 945597731 /nfs/dbraw/zinc/59/77/31/945597731.db2.gz HFZAEQDTXQEPSA-RYUDHWBXSA-N -1 3 386.416 0.683 20 0 GCADHM Cc1ncoc1CN1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571269049 945612281 /nfs/dbraw/zinc/61/22/81/945612281.db2.gz NGRZGQNQVVMCAY-ZDUSSCGKSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1nc(CN[C@H](C)[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)co1 ZINC001571269323 945617377 /nfs/dbraw/zinc/61/73/77/945617377.db2.gz VHQUFLFHKDITRN-MEBBXXQBSA-N -1 3 386.416 0.511 20 0 GCADHM Cc1nc(CN[C@H](C)[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)co1 ZINC001571269323 945617382 /nfs/dbraw/zinc/61/73/82/945617382.db2.gz VHQUFLFHKDITRN-MEBBXXQBSA-N -1 3 386.416 0.511 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)ns1 ZINC001571269645 945623136 /nfs/dbraw/zinc/62/31/36/945623136.db2.gz BNHHDTPXIIUBTR-SNVBAGLBSA-N -1 3 386.441 0.946 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)ns1 ZINC001571269645 945623140 /nfs/dbraw/zinc/62/31/40/945623140.db2.gz BNHHDTPXIIUBTR-SNVBAGLBSA-N -1 3 386.441 0.946 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccsn1 ZINC001571269623 945623322 /nfs/dbraw/zinc/62/33/22/945623322.db2.gz ARRMQISGYODZLH-VHSXEESVSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccsn1 ZINC001571269623 945623325 /nfs/dbraw/zinc/62/33/25/945623325.db2.gz ARRMQISGYODZLH-VHSXEESVSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncs1 ZINC001571269851 945626134 /nfs/dbraw/zinc/62/61/34/945626134.db2.gz FFUAHQDPVZWASD-KOLCDFICSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncs1 ZINC001571269851 945626143 /nfs/dbraw/zinc/62/61/43/945626143.db2.gz FFUAHQDPVZWASD-KOLCDFICSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(c1nccs1)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571269946 945626853 /nfs/dbraw/zinc/62/68/53/945626853.db2.gz INQHMIAIFCWKNW-MRXNPFEDSA-N -1 3 386.441 0.797 20 0 GCADHM O=C(c1nccs1)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571269946 945626858 /nfs/dbraw/zinc/62/68/58/945626858.db2.gz INQHMIAIFCWKNW-MRXNPFEDSA-N -1 3 386.441 0.797 20 0 GCADHM O=C(CCc1cncs1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571270006 945629201 /nfs/dbraw/zinc/62/92/01/945629201.db2.gz KGHYONURHGOELR-NSHDSACASA-N -1 3 386.441 0.615 20 0 GCADHM O=C(CCc1cncs1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571270006 945629204 /nfs/dbraw/zinc/62/92/04/945629204.db2.gz KGHYONURHGOELR-NSHDSACASA-N -1 3 386.441 0.615 20 0 GCADHM Cc1ncc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)s1 ZINC001571270327 945635194 /nfs/dbraw/zinc/63/51/94/945635194.db2.gz QGJQOTWGOMIAFD-GZMMTYOYSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)s1 ZINC001571270327 945635200 /nfs/dbraw/zinc/63/52/00/945635200.db2.gz QGJQOTWGOMIAFD-GZMMTYOYSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1nc(C(=O)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cs1 ZINC001571270517 945636278 /nfs/dbraw/zinc/63/62/78/945636278.db2.gz UMJBIVJHSYUHQN-MRVPVSSYSA-N -1 3 386.441 0.850 20 0 GCADHM Cc1nc(C(=O)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cs1 ZINC001571270517 945636285 /nfs/dbraw/zinc/63/62/85/945636285.db2.gz UMJBIVJHSYUHQN-MRVPVSSYSA-N -1 3 386.441 0.850 20 0 GCADHM Cc1nc(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cs1 ZINC001571270522 945636679 /nfs/dbraw/zinc/63/66/79/945636679.db2.gz UMJBIVJHSYUHQN-QMMMGPOBSA-N -1 3 386.441 0.850 20 0 GCADHM Cc1nc(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cs1 ZINC001571270522 945636686 /nfs/dbraw/zinc/63/66/86/945636686.db2.gz UMJBIVJHSYUHQN-QMMMGPOBSA-N -1 3 386.441 0.850 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cscn1 ZINC001571270657 945640359 /nfs/dbraw/zinc/64/03/59/945640359.db2.gz XYFRLERTJXRTFA-SNVBAGLBSA-N -1 3 386.441 0.934 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cscn1 ZINC001571270657 945640364 /nfs/dbraw/zinc/64/03/64/945640364.db2.gz XYFRLERTJXRTFA-SNVBAGLBSA-N -1 3 386.441 0.934 20 0 GCADHM Cc1nscc1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571270643 945641328 /nfs/dbraw/zinc/64/13/28/945641328.db2.gz XMUWRORNOYETMG-LLVKDONJSA-N -1 3 386.441 0.946 20 0 GCADHM Cc1nscc1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571270643 945641334 /nfs/dbraw/zinc/64/13/34/945641334.db2.gz XMUWRORNOYETMG-LLVKDONJSA-N -1 3 386.441 0.946 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)s1)c1ncccn1 ZINC001571270725 945642649 /nfs/dbraw/zinc/64/26/49/945642649.db2.gz ZTDNBWPYILADIG-LLVKDONJSA-N -1 3 386.441 0.349 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2ccncc2Cl)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571272081 945655708 /nfs/dbraw/zinc/65/57/08/945655708.db2.gz OXMHAMZAOVSDPC-MGCOHNPYSA-N -1 3 386.803 0.934 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2ccncc2Cl)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571272081 945655713 /nfs/dbraw/zinc/65/57/13/945655713.db2.gz OXMHAMZAOVSDPC-MGCOHNPYSA-N -1 3 386.803 0.934 20 0 GCADHM CN1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571272594 945665656 /nfs/dbraw/zinc/66/56/56/945665656.db2.gz FSLIZRPBXHQOFZ-GJZGRUSLSA-N -1 3 386.460 0.385 20 0 GCADHM CN1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571272594 945665660 /nfs/dbraw/zinc/66/56/60/945665660.db2.gz FSLIZRPBXHQOFZ-GJZGRUSLSA-N -1 3 386.460 0.385 20 0 GCADHM CCOC(=O)C1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821325675 945670848 /nfs/dbraw/zinc/67/08/48/945670848.db2.gz JKLFLRHXKVMHJJ-UHFFFAOYSA-N -1 3 393.469 0.916 20 0 GCADHM CCOC(=O)C1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821325675 945670852 /nfs/dbraw/zinc/67/08/52/945670852.db2.gz JKLFLRHXKVMHJJ-UHFFFAOYSA-N -1 3 393.469 0.916 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001571272890 945673780 /nfs/dbraw/zinc/67/37/80/945673780.db2.gz KDSBEXURDWKZMQ-AWEZNQCLSA-N -1 3 386.460 0.350 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001571272890 945673790 /nfs/dbraw/zinc/67/37/90/945673790.db2.gz KDSBEXURDWKZMQ-AWEZNQCLSA-N -1 3 386.460 0.350 20 0 GCADHM CO[C@H](C)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001571273291 945683065 /nfs/dbraw/zinc/68/30/65/945683065.db2.gz USSWDZKSLCIAPI-UKRRQHHQSA-N -1 3 386.460 0.020 20 0 GCADHM CO[C@H](C)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001571273291 945683068 /nfs/dbraw/zinc/68/30/68/945683068.db2.gz USSWDZKSLCIAPI-UKRRQHHQSA-N -1 3 386.460 0.020 20 0 GCADHM CO[C@@H](C)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001571273308 945683468 /nfs/dbraw/zinc/68/34/68/945683468.db2.gz VGJKYUZKASCHLR-DZGCQCFKSA-N -1 3 386.460 0.020 20 0 GCADHM CO[C@@H](C)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001571273308 945683476 /nfs/dbraw/zinc/68/34/76/945683476.db2.gz VGJKYUZKASCHLR-DZGCQCFKSA-N -1 3 386.460 0.020 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571273347 945685563 /nfs/dbraw/zinc/68/55/63/945685563.db2.gz VWCTWQHKAROSLM-ZNMIVQPWSA-N -1 3 386.460 0.066 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571273347 945685572 /nfs/dbraw/zinc/68/55/72/945685572.db2.gz VWCTWQHKAROSLM-ZNMIVQPWSA-N -1 3 386.460 0.066 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC2CC(NC(=O)CN3CCOCC3)C2)n1 ZINC001571273516 945690873 /nfs/dbraw/zinc/69/08/73/945690873.db2.gz YWHVCTHGBSKWCB-UHFFFAOYSA-N -1 3 386.460 0.209 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC2CC(NC(=O)CN3CCOCC3)C2)n1 ZINC001571273516 945690878 /nfs/dbraw/zinc/69/08/78/945690878.db2.gz YWHVCTHGBSKWCB-UHFFFAOYSA-N -1 3 386.460 0.209 20 0 GCADHM COc1nc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)c(F)c3)CC2)co1 ZINC001571274156 945694307 /nfs/dbraw/zinc/69/43/07/945694307.db2.gz CRWXBLSFHJOCMR-UHFFFAOYSA-N -1 3 387.375 0.960 20 0 GCADHM COc1nc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)c(F)c3)CC2)co1 ZINC001571274156 945694312 /nfs/dbraw/zinc/69/43/12/945694312.db2.gz CRWXBLSFHJOCMR-UHFFFAOYSA-N -1 3 387.375 0.960 20 0 GCADHM C[C@@H](NC(=O)c1cnon1)[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571274398 945696929 /nfs/dbraw/zinc/69/69/29/945696929.db2.gz GKAMLXHHDMCQQQ-ZJUUUORDSA-N -1 3 387.379 0.819 20 0 GCADHM C[C@@H](NC(=O)c1cnon1)[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571274398 945696931 /nfs/dbraw/zinc/69/69/31/945696931.db2.gz GKAMLXHHDMCQQQ-ZJUUUORDSA-N -1 3 387.379 0.819 20 0 GCADHM C[C@H](NC(=O)c1cnon1)[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571274394 945696976 /nfs/dbraw/zinc/69/69/76/945696976.db2.gz GKAMLXHHDMCQQQ-UWVGGRQHSA-N -1 3 387.379 0.819 20 0 GCADHM C[C@H](NC(=O)c1cnon1)[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571274394 945696980 /nfs/dbraw/zinc/69/69/80/945696980.db2.gz GKAMLXHHDMCQQQ-UWVGGRQHSA-N -1 3 387.379 0.819 20 0 GCADHM COCCN1CC[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)C1 ZINC001571274376 945697551 /nfs/dbraw/zinc/69/75/51/945697551.db2.gz GHAZLMMJNSBBDF-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM COCCN1CC[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)C1 ZINC001571274376 945697555 /nfs/dbraw/zinc/69/75/55/945697555.db2.gz GHAZLMMJNSBBDF-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@](CO)(Nc2cc(F)ncn2)C1 ZINC001571274768 945699075 /nfs/dbraw/zinc/69/90/75/945699075.db2.gz KQFFBZBRTMCQNR-INIZCTEOSA-N -1 3 387.379 0.203 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@](CO)(Nc2cc(F)ncn2)C1 ZINC001571274768 945699078 /nfs/dbraw/zinc/69/90/78/945699078.db2.gz KQFFBZBRTMCQNR-INIZCTEOSA-N -1 3 387.379 0.203 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cnco1 ZINC001571274624 945699157 /nfs/dbraw/zinc/69/91/57/945699157.db2.gz JGOPSAITSJPKBG-LBPRGKRZSA-N -1 3 387.375 0.625 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cnco1 ZINC001571274624 945699162 /nfs/dbraw/zinc/69/91/62/945699162.db2.gz JGOPSAITSJPKBG-LBPRGKRZSA-N -1 3 387.375 0.625 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571274953 945701136 /nfs/dbraw/zinc/70/11/36/945701136.db2.gz NIASIWNHIZDTCU-LDYMZIIASA-N -1 3 387.379 0.413 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)o1 ZINC001571274881 945701243 /nfs/dbraw/zinc/70/12/43/945701243.db2.gz MDYZUBXHXLMMKJ-NSHDSACASA-N -1 3 387.379 0.420 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)o1 ZINC001571274881 945701249 /nfs/dbraw/zinc/70/12/49/945701249.db2.gz MDYZUBXHXLMMKJ-NSHDSACASA-N -1 3 387.379 0.420 20 0 GCADHM CC[C@@](COC)(NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1)C(=O)OC ZINC001571275105 945702600 /nfs/dbraw/zinc/70/26/00/945702600.db2.gz PIFBZGDNKBECFS-AWEZNQCLSA-N -1 3 387.393 0.252 20 0 GCADHM CC[C@@](COC)(NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1)C(=O)OC ZINC001571275105 945702606 /nfs/dbraw/zinc/70/26/06/945702606.db2.gz PIFBZGDNKBECFS-AWEZNQCLSA-N -1 3 387.393 0.252 20 0 GCADHM O=C(C1=COCCO1)N1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nnn[n-]2)cc1F ZINC001571275361 945705298 /nfs/dbraw/zinc/70/52/98/945705298.db2.gz SMQNJVBSLBAURK-TXEJJXNPSA-N -1 3 387.375 0.469 20 0 GCADHM O=C(C1=COCCO1)N1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nn[n-]n2)cc1F ZINC001571275361 945705303 /nfs/dbraw/zinc/70/53/03/945705303.db2.gz SMQNJVBSLBAURK-TXEJJXNPSA-N -1 3 387.375 0.469 20 0 GCADHM O=C(NC1CCC(NC(=O)c2n[nH]cc2F)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571275608 945708976 /nfs/dbraw/zinc/70/89/76/945708976.db2.gz YRWJDUIYQDPPJM-UHFFFAOYSA-N -1 3 387.379 0.528 20 0 GCADHM O=C(NC1CCC(NC(=O)c2n[nH]cc2F)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571275608 945708986 /nfs/dbraw/zinc/70/89/86/945708986.db2.gz YRWJDUIYQDPPJM-UHFFFAOYSA-N -1 3 387.379 0.528 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001571275572 945709196 /nfs/dbraw/zinc/70/91/96/945709196.db2.gz XPGXDDFTEJJWAQ-ZIAGYGMSSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O ZINC001571275572 945709202 /nfs/dbraw/zinc/70/92/02/945709202.db2.gz XPGXDDFTEJJWAQ-ZIAGYGMSSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1ncoc1C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001571275624 945710849 /nfs/dbraw/zinc/71/08/49/945710849.db2.gz ZFGSRCVNSMHOSB-ZIAGYGMSSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1ncoc1C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001571275624 945710851 /nfs/dbraw/zinc/71/08/51/945710851.db2.gz ZFGSRCVNSMHOSB-ZIAGYGMSSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571275627 945711044 /nfs/dbraw/zinc/71/10/44/945711044.db2.gz ZIAJGJWHQGJVBS-WAAGHKOSSA-N -1 3 387.379 0.758 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571275627 945711053 /nfs/dbraw/zinc/71/10/53/945711053.db2.gz ZIAJGJWHQGJVBS-WAAGHKOSSA-N -1 3 387.379 0.758 20 0 GCADHM CC(C)N1CC[C@@H](N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1=O ZINC001571275743 945713784 /nfs/dbraw/zinc/71/37/84/945713784.db2.gz BRXCHNJRSCJPGM-OAHLLOKOSA-N -1 3 386.460 0.352 20 0 GCADHM CC(C)N1CC[C@@H](N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1=O ZINC001571275743 945713788 /nfs/dbraw/zinc/71/37/88/945713788.db2.gz BRXCHNJRSCJPGM-OAHLLOKOSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571275841 945715493 /nfs/dbraw/zinc/71/54/93/945715493.db2.gz DDNPFAMSCOGQCB-CJNGLKHVSA-N -1 3 386.460 0.243 20 0 GCADHM C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571275841 945715496 /nfs/dbraw/zinc/71/54/96/945715496.db2.gz DDNPFAMSCOGQCB-CJNGLKHVSA-N -1 3 386.460 0.243 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571275829 945716368 /nfs/dbraw/zinc/71/63/68/945716368.db2.gz DCDZBTLOPZWAIE-AWEZNQCLSA-N -1 3 386.460 0.257 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571275829 945716372 /nfs/dbraw/zinc/71/63/72/945716372.db2.gz DCDZBTLOPZWAIE-AWEZNQCLSA-N -1 3 386.460 0.257 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1)[C@H]1CCC(=O)N1 ZINC001571276012 945720087 /nfs/dbraw/zinc/72/00/87/945720087.db2.gz CDQBOBNJACTTSQ-UKRRQHHQSA-N -1 3 387.419 0.365 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)[C@H]1CCC(=O)N1 ZINC001571276012 945720093 /nfs/dbraw/zinc/72/00/93/945720093.db2.gz CDQBOBNJACTTSQ-UKRRQHHQSA-N -1 3 387.419 0.365 20 0 GCADHM CCO[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001571275971 945721583 /nfs/dbraw/zinc/72/15/83/945721583.db2.gz ATUHUKFGKFRZST-QVHKTLOISA-N -1 3 387.419 0.720 20 0 GCADHM CCO[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001571275971 945721590 /nfs/dbraw/zinc/72/15/90/945721590.db2.gz ATUHUKFGKFRZST-QVHKTLOISA-N -1 3 387.419 0.720 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001571276027 945723458 /nfs/dbraw/zinc/72/34/58/945723458.db2.gz COKOPOUSAXIJDQ-TZMCWYRMSA-N -1 3 387.400 0.387 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001571276027 945723466 /nfs/dbraw/zinc/72/34/66/945723466.db2.gz COKOPOUSAXIJDQ-TZMCWYRMSA-N -1 3 387.400 0.387 20 0 GCADHM COc1ccc(CN2C[C@@H](NC(=O)C3CC(C)C3)[C@@H](O)C2)cc1-c1nnn[n-]1 ZINC001571276111 945725842 /nfs/dbraw/zinc/72/58/42/945725842.db2.gz HHEXVDFLAHTWDL-GLVOJVMSSA-N -1 3 386.456 0.583 20 0 GCADHM COc1ccc(CN2C[C@@H](NC(=O)C3CC(C)C3)[C@@H](O)C2)cc1-c1nn[n-]n1 ZINC001571276111 945725849 /nfs/dbraw/zinc/72/58/49/945725849.db2.gz HHEXVDFLAHTWDL-GLVOJVMSSA-N -1 3 386.456 0.583 20 0 GCADHM COCc1noc([C@H](C)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571276184 945727028 /nfs/dbraw/zinc/72/70/28/945727028.db2.gz DTQHAASIIDXCAZ-VHSXEESVSA-N -1 3 387.404 0.290 20 0 GCADHM COCc1noc([C@H](C)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571276184 945727035 /nfs/dbraw/zinc/72/70/35/945727035.db2.gz DTQHAASIIDXCAZ-VHSXEESVSA-N -1 3 387.404 0.290 20 0 GCADHM CNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001571276175 945727690 /nfs/dbraw/zinc/72/76/90/945727690.db2.gz DQCVPOICSVLMGC-UHFFFAOYSA-N -1 3 387.425 0.142 20 0 GCADHM CNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001571276175 945727698 /nfs/dbraw/zinc/72/76/98/945727698.db2.gz DQCVPOICSVLMGC-UHFFFAOYSA-N -1 3 387.425 0.142 20 0 GCADHM COCc1noc([C@@H](C)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571276185 945728472 /nfs/dbraw/zinc/72/84/72/945728472.db2.gz DTQHAASIIDXCAZ-ZJUUUORDSA-N -1 3 387.404 0.290 20 0 GCADHM COCc1noc([C@@H](C)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571276185 945728478 /nfs/dbraw/zinc/72/84/78/945728478.db2.gz DTQHAASIIDXCAZ-ZJUUUORDSA-N -1 3 387.404 0.290 20 0 GCADHM CN(c1cccc(F)c1-c1nnn[n-]1)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001571276301 945729601 /nfs/dbraw/zinc/72/96/01/945729601.db2.gz HCCSFDUVXBNUST-CYBMUJFWSA-N -1 3 387.419 0.712 20 0 GCADHM CN(c1cccc(F)c1-c1nn[n-]n1)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001571276301 945729609 /nfs/dbraw/zinc/72/96/09/945729609.db2.gz HCCSFDUVXBNUST-CYBMUJFWSA-N -1 3 387.419 0.712 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001571276655 945733788 /nfs/dbraw/zinc/73/37/88/945733788.db2.gz ISVIZLWKSCQFLW-YPMHNXCESA-N -1 3 387.419 0.556 20 0 GCADHM C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001571277356 945740577 /nfs/dbraw/zinc/74/05/77/945740577.db2.gz PFCGGMGBSRQTBW-ZEWFUEFWSA-N -1 3 387.419 0.933 20 0 GCADHM C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001571277356 945740587 /nfs/dbraw/zinc/74/05/87/945740587.db2.gz PFCGGMGBSRQTBW-ZEWFUEFWSA-N -1 3 387.419 0.933 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)CC(=O)N1CCCC1 ZINC000821605047 945740861 /nfs/dbraw/zinc/74/08/61/945740861.db2.gz SAQMVEJDAYTTSM-UHFFFAOYSA-N -1 3 378.458 0.195 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)CC(=O)N1CCCC1 ZINC000821605047 945740867 /nfs/dbraw/zinc/74/08/67/945740867.db2.gz SAQMVEJDAYTTSM-UHFFFAOYSA-N -1 3 378.458 0.195 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571277450 945743022 /nfs/dbraw/zinc/74/30/22/945743022.db2.gz RDXVRWTWTONGSC-CQSZACIVSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571277450 945743025 /nfs/dbraw/zinc/74/30/25/945743025.db2.gz RDXVRWTWTONGSC-CQSZACIVSA-N -1 3 387.419 0.175 20 0 GCADHM COCc1noc(CNC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571277434 945743123 /nfs/dbraw/zinc/74/31/23/945743123.db2.gz QPVURQBJBPQKFJ-SNVBAGLBSA-N -1 3 387.404 0.119 20 0 GCADHM COCc1noc(CNC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571277434 945743131 /nfs/dbraw/zinc/74/31/31/945743131.db2.gz QPVURQBJBPQKFJ-SNVBAGLBSA-N -1 3 387.404 0.119 20 0 GCADHM COCc1noc(CN[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571277681 945744137 /nfs/dbraw/zinc/74/41/37/945744137.db2.gz RVEARRFRVZDWFW-LLVKDONJSA-N -1 3 387.404 0.119 20 0 GCADHM COCc1noc(CN[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571277681 945744139 /nfs/dbraw/zinc/74/41/39/945744139.db2.gz RVEARRFRVZDWFW-LLVKDONJSA-N -1 3 387.404 0.119 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](c2ncccn2)C1 ZINC001571277694 945744185 /nfs/dbraw/zinc/74/41/85/945744185.db2.gz SDFMEGIDLYTVPE-LBPRGKRZSA-N -1 3 387.425 0.844 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](c2ncccn2)C1 ZINC001571277694 945744189 /nfs/dbraw/zinc/74/41/89/945744189.db2.gz SDFMEGIDLYTVPE-LBPRGKRZSA-N -1 3 387.425 0.844 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)C1(C2CC2)CC1 ZINC001571277786 945746440 /nfs/dbraw/zinc/74/64/40/945746440.db2.gz SULFHDMBTQDWOE-UONOGXRCSA-N -1 3 387.419 0.647 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)C1(C2CC2)CC1 ZINC001571277786 945746445 /nfs/dbraw/zinc/74/64/45/945746445.db2.gz SULFHDMBTQDWOE-UONOGXRCSA-N -1 3 387.419 0.647 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001571277763 945747581 /nfs/dbraw/zinc/74/75/81/945747581.db2.gz SQVPHXBOZBMVTL-ZWNOBZJWSA-N -1 3 387.419 0.885 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001571277763 945747588 /nfs/dbraw/zinc/74/75/88/945747588.db2.gz SQVPHXBOZBMVTL-ZWNOBZJWSA-N -1 3 387.419 0.885 20 0 GCADHM O=C([C@H]1CCCCO1)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001571278141 945749168 /nfs/dbraw/zinc/74/91/68/945749168.db2.gz WRXQRAPQAFDQQU-VNHYZAJKSA-N -1 3 387.419 0.865 20 0 GCADHM O=C([C@H]1CCCCO1)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001571278141 945749174 /nfs/dbraw/zinc/74/91/74/945749174.db2.gz WRXQRAPQAFDQQU-VNHYZAJKSA-N -1 3 387.419 0.865 20 0 GCADHM O=C(N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001571278123 945749885 /nfs/dbraw/zinc/74/98/85/945749885.db2.gz WIRHGLNUTJXTBS-WCQYABFASA-N -1 3 387.419 0.760 20 0 GCADHM O=C(N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001571278123 945749888 /nfs/dbraw/zinc/74/98/88/945749888.db2.gz WIRHGLNUTJXTBS-WCQYABFASA-N -1 3 387.419 0.760 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571278315 945751066 /nfs/dbraw/zinc/75/10/66/945751066.db2.gz XQUWCGXGMMBSEF-SRVKXCTJSA-N -1 3 387.419 0.981 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571278315 945751076 /nfs/dbraw/zinc/75/10/76/945751076.db2.gz XQUWCGXGMMBSEF-SRVKXCTJSA-N -1 3 387.419 0.981 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)C3CCC(F)CC3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571278435 945753913 /nfs/dbraw/zinc/75/39/13/945753913.db2.gz ZUZIYBUPBFTWKQ-VYHIPVHBSA-N -1 3 387.419 0.910 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)C3CCC(F)CC3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571278435 945753919 /nfs/dbraw/zinc/75/39/19/945753919.db2.gz ZUZIYBUPBFTWKQ-VYHIPVHBSA-N -1 3 387.419 0.910 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571278419 945754216 /nfs/dbraw/zinc/75/42/16/945754216.db2.gz ZLWPWCXFDCVHOC-MJBXVCDLSA-N -1 3 387.419 0.208 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571278419 945754222 /nfs/dbraw/zinc/75/42/22/945754222.db2.gz ZLWPWCXFDCVHOC-MJBXVCDLSA-N -1 3 387.419 0.208 20 0 GCADHM Cc1noc([C@@H](C)NC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)n1 ZINC001571278413 945754359 /nfs/dbraw/zinc/75/43/59/945754359.db2.gz ZFYQJNDECDGAMD-MWLCHTKSSA-N -1 3 387.404 0.078 20 0 GCADHM Cc1noc([C@@H](C)NC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)n1 ZINC001571278413 945754365 /nfs/dbraw/zinc/75/43/65/945754365.db2.gz ZFYQJNDECDGAMD-MWLCHTKSSA-N -1 3 387.404 0.078 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)C[C@H]21 ZINC000821628419 945756768 /nfs/dbraw/zinc/75/67/68/945756768.db2.gz IEURZOCDJULQEA-OLZOCXBDSA-N -1 3 391.819 0.000 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)C[C@H]21 ZINC000821628419 945756773 /nfs/dbraw/zinc/75/67/73/945756773.db2.gz IEURZOCDJULQEA-OLZOCXBDSA-N -1 3 391.819 0.000 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001571278792 945760911 /nfs/dbraw/zinc/76/09/11/945760911.db2.gz CDGUBTMFVQXAOF-VFVRVIDISA-N -1 3 387.444 0.779 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001571278792 945760916 /nfs/dbraw/zinc/76/09/16/945760916.db2.gz CDGUBTMFVQXAOF-VFVRVIDISA-N -1 3 387.444 0.779 20 0 GCADHM CNC(=O)[C@H](C)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000821630306 945760964 /nfs/dbraw/zinc/76/09/64/945760964.db2.gz SWPICILPFJPNQQ-GFCCVEGCSA-N -1 3 397.443 0.305 20 0 GCADHM CCC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC2(CCOCC2)C1 ZINC001571278831 945762138 /nfs/dbraw/zinc/76/21/38/945762138.db2.gz DEBNMVHKSRQKRU-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CCC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC2(CCOCC2)C1 ZINC001571278831 945762149 /nfs/dbraw/zinc/76/21/49/945762149.db2.gz DEBNMVHKSRQKRU-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CN(C(=O)[C@]1(C)CCCOC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571278881 945763640 /nfs/dbraw/zinc/76/36/40/945763640.db2.gz FCDKYKBIFICPMJ-KZULUSFZSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)[C@]1(C)CCCOC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571278881 945763647 /nfs/dbraw/zinc/76/36/47/945763647.db2.gz FCDKYKBIFICPMJ-KZULUSFZSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001571279053 945767435 /nfs/dbraw/zinc/76/74/35/945767435.db2.gz HHPBVAQIVGTRGE-ZIAGYGMSSA-N -1 3 387.444 0.520 20 0 GCADHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001571279053 945767441 /nfs/dbraw/zinc/76/74/41/945767441.db2.gz HHPBVAQIVGTRGE-ZIAGYGMSSA-N -1 3 387.444 0.520 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)[C@@H]2CCCOCC2)C1 ZINC001571279099 945769408 /nfs/dbraw/zinc/76/94/08/945769408.db2.gz ISWJBHOPMHOTPA-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)[C@@H]2CCCOCC2)C1 ZINC001571279099 945769418 /nfs/dbraw/zinc/76/94/18/945769418.db2.gz ISWJBHOPMHOTPA-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM O=C(c1csc(=O)[nH]1)N1CC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571279205 945771715 /nfs/dbraw/zinc/77/17/15/945771715.db2.gz KZSJOJSDYWDXKZ-VIFPVBQESA-N -1 3 387.429 0.783 20 0 GCADHM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)c3csc(=O)[nH]3)C2)n1 ZINC001571279224 945773041 /nfs/dbraw/zinc/77/30/41/945773041.db2.gz LOXLSTIGSRFDOJ-QMMMGPOBSA-N -1 3 387.429 0.390 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)c1cccs1 ZINC001571279276 945773732 /nfs/dbraw/zinc/77/37/32/945773732.db2.gz MWDCVTZHFPINBJ-CABZTGNLSA-N -1 3 387.425 0.262 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)c1cccs1 ZINC001571279276 945773744 /nfs/dbraw/zinc/77/37/44/945773744.db2.gz MWDCVTZHFPINBJ-CABZTGNLSA-N -1 3 387.425 0.262 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)CC[C@H]1NC(=O)[C@H]1COCCO1 ZINC001571279248 945774011 /nfs/dbraw/zinc/77/40/11/945774011.db2.gz LXHZTXXMVUBHLD-ZIAGYGMSSA-N -1 3 387.444 0.398 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)CC[C@H]1NC(=O)[C@H]1COCCO1 ZINC001571279248 945774023 /nfs/dbraw/zinc/77/40/23/945774023.db2.gz LXHZTXXMVUBHLD-ZIAGYGMSSA-N -1 3 387.444 0.398 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cccs2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571279419 945777227 /nfs/dbraw/zinc/77/72/27/945777227.db2.gz OENSOANNIFIVSS-CABZTGNLSA-N -1 3 387.425 0.262 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cccs2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571279419 945777232 /nfs/dbraw/zinc/77/72/32/945777232.db2.gz OENSOANNIFIVSS-CABZTGNLSA-N -1 3 387.425 0.262 20 0 GCADHM C[C@@](O)(CC(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001571279451 945777654 /nfs/dbraw/zinc/77/76/54/945777654.db2.gz OVYZTLPYNAFSMJ-GOSISDBHSA-N -1 3 387.444 0.420 20 0 GCADHM C[C@@](O)(CC(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001571279451 945777659 /nfs/dbraw/zinc/77/76/59/945777659.db2.gz OVYZTLPYNAFSMJ-GOSISDBHSA-N -1 3 387.444 0.420 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001571279410 945777680 /nfs/dbraw/zinc/77/76/80/945777680.db2.gz NXYMVWRDFJUPAD-INWMFGNUSA-N -1 3 387.444 0.398 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001571279410 945777685 /nfs/dbraw/zinc/77/76/85/945777685.db2.gz NXYMVWRDFJUPAD-INWMFGNUSA-N -1 3 387.444 0.398 20 0 GCADHM C[C@@H]1COCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571279491 945779228 /nfs/dbraw/zinc/77/92/28/945779228.db2.gz PZGMBNNZUVHHAC-OXHZDVMGSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H]1COCC[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571279491 945779234 /nfs/dbraw/zinc/77/92/34/945779234.db2.gz PZGMBNNZUVHHAC-OXHZDVMGSA-N -1 3 387.444 0.492 20 0 GCADHM CN(C(=O)C[C@H]1CCCCO1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571279590 945781891 /nfs/dbraw/zinc/78/18/91/945781891.db2.gz SMABLMXPZMNOGP-UONOGXRCSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C(=O)C[C@H]1CCCCO1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571279590 945781895 /nfs/dbraw/zinc/78/18/95/945781895.db2.gz SMABLMXPZMNOGP-UONOGXRCSA-N -1 3 387.444 0.827 20 0 GCADHM COc1ccc(CN2CCN(C(=O)[C@@H]3CO[C@@H](C)C3)CC2)cc1-c1nnn[n-]1 ZINC001571279632 945784178 /nfs/dbraw/zinc/78/41/78/945784178.db2.gz XCXFMNGJKNNWIT-ZFWWWQNUSA-N -1 3 386.456 0.945 20 0 GCADHM COc1ccc(CN2CCN(C(=O)[C@@H]3CO[C@@H](C)C3)CC2)cc1-c1nn[n-]n1 ZINC001571279632 945784186 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CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573447381 945799016 /nfs/dbraw/zinc/79/90/16/945799016.db2.gz XXXZFYPAHMYHJT-OFQRWUPVSA-N -1 3 382.428 0.062 20 0 GCADHM Cc1nsc(N2CCN(C(=O)CCc3cnn(C)c3)CC2)c1-c1nnn[n-]1 ZINC001571281228 945800525 /nfs/dbraw/zinc/80/05/25/945800525.db2.gz FYXXKUIEIWEJQU-UHFFFAOYSA-N -1 3 387.473 0.647 20 0 GCADHM CCn1cc(CC(=O)N[C@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C2)cn1 ZINC001571281572 945806228 /nfs/dbraw/zinc/80/62/28/945806228.db2.gz IVJDVCSFCVCOGE-LBPRGKRZSA-N -1 3 387.473 0.786 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573448322 945806381 /nfs/dbraw/zinc/80/63/81/945806381.db2.gz HYFDHSFGAWSXNJ-CYBMUJFWSA-N -1 3 377.474 0.487 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)C3(C)CCOCC3)[C@@H](O)C2)n1 ZINC001571282266 945834396 /nfs/dbraw/zinc/83/43/96/945834396.db2.gz FRRRMPHSZROJJI-KGLIPLIRSA-N -1 3 387.444 0.053 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)C3(C)CCOCC3)[C@@H](O)C2)n1 ZINC001571282266 945834406 /nfs/dbraw/zinc/83/44/06/945834406.db2.gz FRRRMPHSZROJJI-KGLIPLIRSA-N -1 3 387.444 0.053 20 0 GCADHM CC(=O)N1CCc2c(sc(NC(=O)c3cn(C)c(=O)[nH]3)c2-c2nnn[n-]2)C1 ZINC001573451407 945834837 /nfs/dbraw/zinc/83/48/37/945834837.db2.gz VDDIIAQLXWQHBK-UHFFFAOYSA-N -1 3 388.413 0.524 20 0 GCADHM CC(=O)N1CCc2c(sc(NC(=O)c3cn(C)c(=O)[nH]3)c2-c2nn[n-]n2)C1 ZINC001573451407 945834850 /nfs/dbraw/zinc/83/48/50/945834850.db2.gz VDDIIAQLXWQHBK-UHFFFAOYSA-N -1 3 388.413 0.524 20 0 GCADHM O=C(C[C@H]1CCCO1)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282351 945840340 /nfs/dbraw/zinc/84/03/40/945840340.db2.gz IIHUNOGORJZFMZ-GXTWGEPZSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@H]1CCCO1)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282351 945840348 /nfs/dbraw/zinc/84/03/48/945840348.db2.gz IIHUNOGORJZFMZ-GXTWGEPZSA-N -1 3 387.444 0.732 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573452083 945845775 /nfs/dbraw/zinc/84/57/75/945845775.db2.gz ATAMPIJSEICRLT-BDJLRTHQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573452083 945845790 /nfs/dbraw/zinc/84/57/90/945845790.db2.gz ATAMPIJSEICRLT-BDJLRTHQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573452375 945848582 /nfs/dbraw/zinc/84/85/82/945848582.db2.gz DGFLPAFJSITBNZ-KDOFPFPSSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573452375 945848597 /nfs/dbraw/zinc/84/85/97/945848597.db2.gz DGFLPAFJSITBNZ-KDOFPFPSSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571282530 945849187 /nfs/dbraw/zinc/84/91/87/945849187.db2.gz JPTPKLSLYSESJF-FRRDWIJNSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571282530 945849201 /nfs/dbraw/zinc/84/92/01/945849201.db2.gz JPTPKLSLYSESJF-FRRDWIJNSA-N -1 3 387.444 0.446 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573452373 945851163 /nfs/dbraw/zinc/85/11/63/945851163.db2.gz DFMHULVGODSQHH-ZBEGNZNMSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573452373 945851174 /nfs/dbraw/zinc/85/11/74/945851174.db2.gz DFMHULVGODSQHH-ZBEGNZNMSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571282531 945851762 /nfs/dbraw/zinc/85/17/62/945851762.db2.gz JPTPKLSLYSESJF-JHJVBQTASA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571282531 945851786 /nfs/dbraw/zinc/85/17/86/945851786.db2.gz JPTPKLSLYSESJF-JHJVBQTASA-N -1 3 387.444 0.446 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573452897 945855238 /nfs/dbraw/zinc/85/52/38/945855238.db2.gz IUHRPCXWXWTIGL-KSSFIOAISA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573452897 945855249 /nfs/dbraw/zinc/85/52/49/945855249.db2.gz IUHRPCXWXWTIGL-KSSFIOAISA-N -1 3 386.460 0.825 20 0 GCADHM COc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)nn1 ZINC000821772510 945855406 /nfs/dbraw/zinc/85/54/06/945855406.db2.gz CVGNFKUWRMHKGB-UHFFFAOYSA-N -1 3 396.411 0.879 20 0 GCADHM COc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)nn1 ZINC000821772510 945855422 /nfs/dbraw/zinc/85/54/22/945855422.db2.gz CVGNFKUWRMHKGB-UHFFFAOYSA-N -1 3 396.411 0.879 20 0 GCADHM O=C(C1CCC(O)CC1)N1CCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571282705 945856863 /nfs/dbraw/zinc/85/68/63/945856863.db2.gz ODJQPTHSBQVHIJ-RUXDESIVSA-N -1 3 387.444 0.452 20 0 GCADHM O=C(C1CCC(O)CC1)N1CCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571282705 945856874 /nfs/dbraw/zinc/85/68/74/945856874.db2.gz ODJQPTHSBQVHIJ-RUXDESIVSA-N -1 3 387.444 0.452 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCOCC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571282688 945859255 /nfs/dbraw/zinc/85/92/55/945859255.db2.gz NRKRMLAGNOVPPP-STQMWFEESA-N -1 3 387.444 0.590 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCCOCC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571282688 945859266 /nfs/dbraw/zinc/85/92/66/945859266.db2.gz NRKRMLAGNOVPPP-STQMWFEESA-N -1 3 387.444 0.590 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N(C)CCNc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573453535 945862336 /nfs/dbraw/zinc/86/23/36/945862336.db2.gz LRPDMSMYPPAGFY-SFHVURJKSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N(C)CCNc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573453535 945862347 /nfs/dbraw/zinc/86/23/47/945862347.db2.gz LRPDMSMYPPAGFY-SFHVURJKSA-N -1 3 388.476 0.991 20 0 GCADHM O=C(C[C@H]1CCCCO1)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282901 945864450 /nfs/dbraw/zinc/86/44/50/945864450.db2.gz VCJVPYIILYNYDM-UONOGXRCSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(C[C@H]1CCCCO1)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282901 945864465 /nfs/dbraw/zinc/86/44/65/945864465.db2.gz VCJVPYIILYNYDM-UONOGXRCSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCOC2(CN(CC[C@H]3CCCO3)C2)C1 ZINC001571282888 945865141 /nfs/dbraw/zinc/86/51/41/945865141.db2.gz UNJMHNGEESRWBY-CQSZACIVSA-N -1 3 387.444 0.291 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCOC2(CN(CC[C@H]3CCCO3)C2)C1 ZINC001571282888 945865154 /nfs/dbraw/zinc/86/51/54/945865154.db2.gz UNJMHNGEESRWBY-CQSZACIVSA-N -1 3 387.444 0.291 20 0 GCADHM C[C@H](NC(=O)[C@@H]1COCCO1)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571282897 945867510 /nfs/dbraw/zinc/86/75/10/945867510.db2.gz UYOAIHRUKWXBEA-WFASDCNBSA-N -1 3 387.444 0.398 20 0 GCADHM C[C@H](NC(=O)[C@@H]1COCCO1)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571282897 945867524 /nfs/dbraw/zinc/86/75/24/945867524.db2.gz UYOAIHRUKWXBEA-WFASDCNBSA-N -1 3 387.444 0.398 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573453964 945868393 /nfs/dbraw/zinc/86/83/93/945868393.db2.gz RZCSXFRSQLWNIP-SFHVURJKSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573453964 945868407 /nfs/dbraw/zinc/86/84/07/945868407.db2.gz RZCSXFRSQLWNIP-SFHVURJKSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573454321 945874577 /nfs/dbraw/zinc/87/45/77/945874577.db2.gz XMYOQPLUSODREU-UGSOOPFHSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573454321 945874592 /nfs/dbraw/zinc/87/45/92/945874592.db2.gz XMYOQPLUSODREU-UGSOOPFHSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573456077 945886990 /nfs/dbraw/zinc/88/69/90/945886990.db2.gz IMAVOUIKDAFZIE-AAEUAGOBSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573456077 945887000 /nfs/dbraw/zinc/88/70/00/945887000.db2.gz IMAVOUIKDAFZIE-AAEUAGOBSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573456595 945893436 /nfs/dbraw/zinc/89/34/36/945893436.db2.gz MPXTUIKTFRTBQR-IYOUNJFTSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573456595 945893443 /nfs/dbraw/zinc/89/34/43/945893443.db2.gz MPXTUIKTFRTBQR-IYOUNJFTSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573456594 945893600 /nfs/dbraw/zinc/89/36/00/945893600.db2.gz MPXTUIKTFRTBQR-HBUWYVDXSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573456594 945893615 /nfs/dbraw/zinc/89/36/15/945893615.db2.gz MPXTUIKTFRTBQR-HBUWYVDXSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573456812 945897742 /nfs/dbraw/zinc/89/77/42/945897742.db2.gz PHQSGBVVAFVXCK-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573456812 945897758 /nfs/dbraw/zinc/89/77/58/945897758.db2.gz PHQSGBVVAFVXCK-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821938206 945907468 /nfs/dbraw/zinc/90/74/68/945907468.db2.gz YKKOUELTTXUUIN-UHFFFAOYSA-N -1 3 377.382 0.866 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821938206 945907484 /nfs/dbraw/zinc/90/74/84/945907484.db2.gz YKKOUELTTXUUIN-UHFFFAOYSA-N -1 3 377.382 0.866 20 0 GCADHM Cc1conc1C(=O)NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571285357 945912946 /nfs/dbraw/zinc/91/29/46/945912946.db2.gz BZQZDAIHLSQHOC-NSHDSACASA-N -1 3 388.363 0.332 20 0 GCADHM Cc1conc1C(=O)NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571285357 945912950 /nfs/dbraw/zinc/91/29/50/945912950.db2.gz BZQZDAIHLSQHOC-NSHDSACASA-N -1 3 388.363 0.332 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573459024 945912863 /nfs/dbraw/zinc/91/28/63/945912863.db2.gz DCKYDIJVWBZFOY-UHFFFAOYSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573459024 945912871 /nfs/dbraw/zinc/91/28/71/945912871.db2.gz DCKYDIJVWBZFOY-UHFFFAOYSA-N -1 3 386.460 0.888 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571285492 945918182 /nfs/dbraw/zinc/91/81/82/945918182.db2.gz GFVICKFIHHMWHV-HUUCEWRRSA-N -1 3 388.403 0.458 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571285492 945918188 /nfs/dbraw/zinc/91/81/88/945918188.db2.gz GFVICKFIHHMWHV-HUUCEWRRSA-N -1 3 388.403 0.458 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573461470 945919325 /nfs/dbraw/zinc/91/93/25/945919325.db2.gz OQSUXOVRCZDBDY-LLVKDONJSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573461470 945919330 /nfs/dbraw/zinc/91/93/30/945919330.db2.gz OQSUXOVRCZDBDY-LLVKDONJSA-N -1 3 392.851 0.843 20 0 GCADHM CN1C[C@H](C(=O)N2CCC(Nc3cccc(F)c3-c3nnn[n-]3)CC2)NC1=O ZINC001571285564 945921111 /nfs/dbraw/zinc/92/11/11/945921111.db2.gz IEWDFIQGBVKECZ-CYBMUJFWSA-N -1 3 388.407 0.432 20 0 GCADHM CN1C[C@H](C(=O)N2CCC(Nc3cccc(F)c3-c3nn[n-]n3)CC2)NC1=O ZINC001571285564 945921118 /nfs/dbraw/zinc/92/11/18/945921118.db2.gz IEWDFIQGBVKECZ-CYBMUJFWSA-N -1 3 388.407 0.432 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1C[C@H](CCO)[C@H](CO)C1 ZINC001571285733 945924676 /nfs/dbraw/zinc/92/46/76/945924676.db2.gz MNWWIUPZDGKWNW-UWVGGRQHSA-N -1 3 387.849 0.132 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1C[C@H](CCO)[C@H](CO)C1 ZINC001571285733 945924682 /nfs/dbraw/zinc/92/46/82/945924682.db2.gz MNWWIUPZDGKWNW-UWVGGRQHSA-N -1 3 387.849 0.132 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573461841 945925156 /nfs/dbraw/zinc/92/51/56/945925156.db2.gz RHSHGSYWMPFAHW-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573461841 945925162 /nfs/dbraw/zinc/92/51/62/945925162.db2.gz RHSHGSYWMPFAHW-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM Cn1cc(Cl)c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571285775 945928505 /nfs/dbraw/zinc/92/85/05/945928505.db2.gz NUSGHKALXYNLEC-UWVGGRQHSA-N -1 3 387.835 0.681 20 0 GCADHM Cn1cc(Cl)c(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571285775 945928513 /nfs/dbraw/zinc/92/85/13/945928513.db2.gz NUSGHKALXYNLEC-UWVGGRQHSA-N -1 3 387.835 0.681 20 0 GCADHM CN1C[C@H](C(=O)N2CCC[C@@H]2CNc2ncc(-c3nnn[n-]3)cc2F)CC1=O ZINC001571285784 945928792 /nfs/dbraw/zinc/92/87/92/945928792.db2.gz OBXILJUTJVTNRK-VXGBXAGGSA-N -1 3 388.407 0.282 20 0 GCADHM CN1C[C@H](C(=O)N2CCC[C@@H]2CNc2ncc(-c3nn[n-]n3)cc2F)CC1=O ZINC001571285784 945928796 /nfs/dbraw/zinc/92/87/96/945928796.db2.gz OBXILJUTJVTNRK-VXGBXAGGSA-N -1 3 388.407 0.282 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573462089 945929966 /nfs/dbraw/zinc/92/99/66/945929966.db2.gz ZGZCASYCBWGWAO-CYBMUJFWSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573462089 945929971 /nfs/dbraw/zinc/92/99/71/945929971.db2.gz ZGZCASYCBWGWAO-CYBMUJFWSA-N -1 3 386.460 0.888 20 0 GCADHM CN(C(=O)C[C@@H]1COC(=O)C1)[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571285897 945930180 /nfs/dbraw/zinc/93/01/80/945930180.db2.gz QVURQHQQKYAWBS-NWDGAFQWSA-N -1 3 388.403 0.996 20 0 GCADHM CN(C(=O)C[C@@H]1COC(=O)C1)[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571285897 945930184 /nfs/dbraw/zinc/93/01/84/945930184.db2.gz QVURQHQQKYAWBS-NWDGAFQWSA-N -1 3 388.403 0.996 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573462090 945930366 /nfs/dbraw/zinc/93/03/66/945930366.db2.gz ZGZCASYCBWGWAO-ZDUSSCGKSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573462090 945930371 /nfs/dbraw/zinc/93/03/71/945930371.db2.gz ZGZCASYCBWGWAO-ZDUSSCGKSA-N -1 3 386.460 0.888 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285945 945932199 /nfs/dbraw/zinc/93/21/99/945932199.db2.gz RXPCBVMWYOQCGS-UONOGXRCSA-N -1 3 388.403 0.363 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571285945 945932212 /nfs/dbraw/zinc/93/22/12/945932212.db2.gz RXPCBVMWYOQCGS-UONOGXRCSA-N -1 3 388.403 0.363 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001573462119 945932913 /nfs/dbraw/zinc/93/29/13/945932913.db2.gz AFCZQSFFLLAOBQ-LLVKDONJSA-N -1 3 392.489 0.631 20 0 GCADHM COc1ccc(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2O)o1 ZINC001571286009 945934479 /nfs/dbraw/zinc/93/44/79/945934479.db2.gz USFHFPJBVOXCDK-ZYHUDNBSSA-N -1 3 388.359 0.587 20 0 GCADHM COc1ccc(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2O)o1 ZINC001571286009 945934484 /nfs/dbraw/zinc/93/44/84/945934484.db2.gz USFHFPJBVOXCDK-ZYHUDNBSSA-N -1 3 388.359 0.587 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573462334 945937094 /nfs/dbraw/zinc/93/70/94/945937094.db2.gz GTDYGVVLMMTNOW-ZDUSSCGKSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573462334 945937106 /nfs/dbraw/zinc/93/71/06/945937106.db2.gz GTDYGVVLMMTNOW-ZDUSSCGKSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573462332 945937731 /nfs/dbraw/zinc/93/77/31/945937731.db2.gz GSXPBDJUGLJPFJ-LBPRGKRZSA-N -1 3 391.501 0.924 20 0 GCADHM Cc1cc(O)cc(NC(=O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001571286217 945938963 /nfs/dbraw/zinc/93/89/63/945938963.db2.gz BECNYPKXADMERU-UHFFFAOYSA-N -1 3 388.409 0.798 20 0 GCADHM Cc1cc(O)cc(NC(=O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001571286217 945938976 /nfs/dbraw/zinc/93/89/76/945938976.db2.gz BECNYPKXADMERU-UHFFFAOYSA-N -1 3 388.409 0.798 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573462379 945939475 /nfs/dbraw/zinc/93/94/75/945939475.db2.gz HREPUVHKSNXYHS-CYBMUJFWSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573462379 945939482 /nfs/dbraw/zinc/93/94/82/945939482.db2.gz HREPUVHKSNXYHS-CYBMUJFWSA-N -1 3 390.423 0.622 20 0 GCADHM COC(=O)c1ccc(CS(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)cc1 ZINC001571286223 945940233 /nfs/dbraw/zinc/94/02/33/945940233.db2.gz BLWAFHXTNXFFQH-UHFFFAOYSA-N -1 3 388.409 0.668 20 0 GCADHM COC(=O)c1ccc(CS(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)cc1 ZINC001571286223 945940240 /nfs/dbraw/zinc/94/02/40/945940240.db2.gz BLWAFHXTNXFFQH-UHFFFAOYSA-N -1 3 388.409 0.668 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573462478 945941924 /nfs/dbraw/zinc/94/19/24/945941924.db2.gz KENYBQVABSYBSC-QMMMGPOBSA-N -1 3 380.478 0.487 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573462456 945942141 /nfs/dbraw/zinc/94/21/41/945942141.db2.gz JUQXGOITXZLALF-ZDUSSCGKSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573462456 945942146 /nfs/dbraw/zinc/94/21/46/945942146.db2.gz JUQXGOITXZLALF-ZDUSSCGKSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573462545 945942854 /nfs/dbraw/zinc/94/28/54/945942854.db2.gz LCKGBOJOVGBGKW-QMMMGPOBSA-N -1 3 380.478 0.711 20 0 GCADHM O=C(NC[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCC(=O)N1 ZINC001571286256 945943171 /nfs/dbraw/zinc/94/31/71/945943171.db2.gz CFGCUMBTKLLNNC-YPMHNXCESA-N -1 3 388.407 0.155 20 0 GCADHM O=C(NC[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCC(=O)N1 ZINC001571286256 945943176 /nfs/dbraw/zinc/94/31/76/945943176.db2.gz CFGCUMBTKLLNNC-YPMHNXCESA-N -1 3 388.407 0.155 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573462670 945944225 /nfs/dbraw/zinc/94/42/25/945944225.db2.gz LZMZGHRSWXKZLS-UHFFFAOYSA-N -1 3 392.489 0.631 20 0 GCADHM CS(=O)(=O)c1cc(C(=O)N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)co1 ZINC001571286339 945945381 /nfs/dbraw/zinc/94/53/81/945945381.db2.gz FFRGWRBNAGIVNB-UHFFFAOYSA-N -1 3 388.409 0.800 20 0 GCADHM CS(=O)(=O)c1cc(C(=O)N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)co1 ZINC001571286339 945945393 /nfs/dbraw/zinc/94/53/93/945945393.db2.gz FFRGWRBNAGIVNB-UHFFFAOYSA-N -1 3 388.409 0.800 20 0 GCADHM C[C@@H]1C[C@@H](NCc2ncnn2CCF)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571286410 945947140 /nfs/dbraw/zinc/94/71/40/945947140.db2.gz HBJUGKRPCPRRCT-GHMZBOCLSA-N -1 3 388.411 0.149 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573462973 945950368 /nfs/dbraw/zinc/95/03/68/945950368.db2.gz QAXZTYDPSHYCBQ-UHFFFAOYSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573462973 945950382 /nfs/dbraw/zinc/95/03/82/945950382.db2.gz QAXZTYDPSHYCBQ-UHFFFAOYSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573463274 945952482 /nfs/dbraw/zinc/95/24/82/945952482.db2.gz TWWYSYXEIBUYTI-WCQYABFASA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573463274 945952490 /nfs/dbraw/zinc/95/24/90/945952490.db2.gz TWWYSYXEIBUYTI-WCQYABFASA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573463275 945952528 /nfs/dbraw/zinc/95/25/28/945952528.db2.gz TWWYSYXEIBUYTI-YPMHNXCESA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573463275 945952541 /nfs/dbraw/zinc/95/25/41/945952541.db2.gz TWWYSYXEIBUYTI-YPMHNXCESA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001573463330 945954721 /nfs/dbraw/zinc/95/47/21/945954721.db2.gz UYDJAAXVYLNOIZ-YPMHNXCESA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001573463330 945954728 /nfs/dbraw/zinc/95/47/28/945954728.db2.gz UYDJAAXVYLNOIZ-YPMHNXCESA-N -1 3 386.460 0.650 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)OCc1ccccc1 ZINC001571286662 945955919 /nfs/dbraw/zinc/95/59/19/945955919.db2.gz NVHRPLNPPWDETF-UHFFFAOYSA-N -1 3 388.409 0.674 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)OCc1ccccc1 ZINC001571286662 945955929 /nfs/dbraw/zinc/95/59/29/945955929.db2.gz NVHRPLNPPWDETF-UHFFFAOYSA-N -1 3 388.409 0.674 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573463602 945958751 /nfs/dbraw/zinc/95/87/51/945958751.db2.gz YSEYGTWXQXVGLB-UHFFFAOYSA-N -1 3 378.462 0.607 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573463598 945959250 /nfs/dbraw/zinc/95/92/50/945959250.db2.gz YRMYAZUYOUVEKX-LLVKDONJSA-N -1 3 391.451 0.857 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573463598 945959252 /nfs/dbraw/zinc/95/92/52/945959252.db2.gz YRMYAZUYOUVEKX-LLVKDONJSA-N -1 3 391.451 0.857 20 0 GCADHM O=S(=O)(NCc1ccc2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)cn1 ZINC001571286849 945960249 /nfs/dbraw/zinc/96/02/49/945960249.db2.gz TWKCYNNYFCNUGC-UHFFFAOYSA-N -1 3 388.409 0.902 20 0 GCADHM O=S(=O)(NCc1ccc2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)cn1 ZINC001571286849 945960259 /nfs/dbraw/zinc/96/02/59/945960259.db2.gz TWKCYNNYFCNUGC-UHFFFAOYSA-N -1 3 388.409 0.902 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573463963 945964560 /nfs/dbraw/zinc/96/45/60/945964560.db2.gz DVTBGBXAASMWEI-JTQLQIEISA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573463963 945964572 /nfs/dbraw/zinc/96/45/72/945964572.db2.gz DVTBGBXAASMWEI-JTQLQIEISA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573464540 945966871 /nfs/dbraw/zinc/96/68/71/945966871.db2.gz LUOXCESDAHFJHG-BETUJISGSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573464540 945966882 /nfs/dbraw/zinc/96/68/82/945966882.db2.gz LUOXCESDAHFJHG-BETUJISGSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573464806 945968075 /nfs/dbraw/zinc/96/80/75/945968075.db2.gz PGRWWLAVQHTDRA-UMSPYCQHSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573464806 945968082 /nfs/dbraw/zinc/96/80/82/945968082.db2.gz PGRWWLAVQHTDRA-UMSPYCQHSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573464797 945970013 /nfs/dbraw/zinc/97/00/13/945970013.db2.gz OPQRVIGLVNYGHN-AWEZNQCLSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573464797 945970019 /nfs/dbraw/zinc/97/00/19/945970019.db2.gz OPQRVIGLVNYGHN-AWEZNQCLSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573465307 945974304 /nfs/dbraw/zinc/97/43/04/945974304.db2.gz XTYRXDWAJQVKDX-NSHDSACASA-N -1 3 377.474 0.533 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573465307 945974319 /nfs/dbraw/zinc/97/43/19/945974319.db2.gz XTYRXDWAJQVKDX-NSHDSACASA-N -1 3 377.474 0.533 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573465291 945974868 /nfs/dbraw/zinc/97/48/68/945974868.db2.gz XKQCKKVVDRYEOR-PHIMTYICSA-N -1 3 392.851 0.889 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573465291 945974877 /nfs/dbraw/zinc/97/48/77/945974877.db2.gz XKQCKKVVDRYEOR-PHIMTYICSA-N -1 3 392.851 0.889 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573467753 945984270 /nfs/dbraw/zinc/98/42/70/945984270.db2.gz HEYNDCJCVIQCHK-GFCCVEGCSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573467753 945984281 /nfs/dbraw/zinc/98/42/81/945984281.db2.gz HEYNDCJCVIQCHK-GFCCVEGCSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CC(Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573467784 945984580 /nfs/dbraw/zinc/98/45/80/945984580.db2.gz IAEBZUXHNWBERP-PUSIOWJLSA-N -1 3 378.462 0.558 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573467795 945986897 /nfs/dbraw/zinc/98/68/97/945986897.db2.gz IFQKGNWJHPTXOD-IAQYHMDHSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573467977 945989015 /nfs/dbraw/zinc/98/90/15/945989015.db2.gz KBRORJKFFFJFNS-RKWZHAFESA-N -1 3 376.396 0.327 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573467977 945989021 /nfs/dbraw/zinc/98/90/21/945989021.db2.gz KBRORJKFFFJFNS-RKWZHAFESA-N -1 3 376.396 0.327 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000822207237 945992608 /nfs/dbraw/zinc/99/26/08/945992608.db2.gz PDSPWMXBVSPFRF-JTQLQIEISA-N -1 3 390.429 0.214 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000822207237 945992616 /nfs/dbraw/zinc/99/26/16/945992616.db2.gz PDSPWMXBVSPFRF-JTQLQIEISA-N -1 3 390.429 0.214 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573468326 945993212 /nfs/dbraw/zinc/99/32/12/945993212.db2.gz MIDJTULBZQDQPI-BXKDBHETSA-N -1 3 392.851 0.477 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573468326 945993217 /nfs/dbraw/zinc/99/32/17/945993217.db2.gz MIDJTULBZQDQPI-BXKDBHETSA-N -1 3 392.851 0.477 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573468549 945994742 /nfs/dbraw/zinc/99/47/42/945994742.db2.gz PDRSWVSVFRBOMW-LMWSTFAQSA-N -1 3 386.460 0.968 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573468549 945994750 /nfs/dbraw/zinc/99/47/50/945994750.db2.gz PDRSWVSVFRBOMW-LMWSTFAQSA-N -1 3 386.460 0.968 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H](CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573468626 945996947 /nfs/dbraw/zinc/99/69/47/945996947.db2.gz PZZOKUHYJLLATP-BXKDBHETSA-N -1 3 392.489 0.805 20 0 GCADHM Cc1cc(CN2CCOC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)sn1 ZINC001571289470 946006590 /nfs/dbraw/zinc/00/65/90/946006590.db2.gz FNJJPXOWVIKPHG-LBPRGKRZSA-N -1 3 388.457 0.591 20 0 GCADHM Cc1cc(CN2CCOC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)sn1 ZINC001571289470 946006599 /nfs/dbraw/zinc/00/65/99/946006599.db2.gz FNJJPXOWVIKPHG-LBPRGKRZSA-N -1 3 388.457 0.591 20 0 GCADHM Cc1nsc(N(C)C[C@H]2CCN(C(=O)c3ncn(C)n3)C2)c1-c1nnn[n-]1 ZINC001571289478 946007182 /nfs/dbraw/zinc/00/71/82/946007182.db2.gz FPZATJFHSAHQFX-SNVBAGLBSA-N -1 3 388.461 0.359 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573469829 946011558 /nfs/dbraw/zinc/01/15/58/946011558.db2.gz XUMWZRRDJQXMSR-MWLCHTKSSA-N -1 3 378.462 0.193 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573469946 946013499 /nfs/dbraw/zinc/01/34/99/946013499.db2.gz AFTUVWUGZRTBBR-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573469946 946013510 /nfs/dbraw/zinc/01/35/10/946013510.db2.gz AFTUVWUGZRTBBR-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573469936 946013668 /nfs/dbraw/zinc/01/36/68/946013668.db2.gz AFNZNFRPBSLJBK-JTQLQIEISA-N -1 3 392.489 0.807 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289759 946018177 /nfs/dbraw/zinc/01/81/77/946018177.db2.gz LXVONXQJTQFVCI-MRVPVSSYSA-N -1 3 388.457 0.916 20 0 GCADHM Cc1cnc(CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H](O)C2)s1 ZINC001571289878 946019641 /nfs/dbraw/zinc/01/96/41/946019641.db2.gz ORTAZLVHFIRIEB-GXFFZTMASA-N -1 3 388.457 0.325 20 0 GCADHM Cc1cnc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H](O)C2)s1 ZINC001571289878 946019653 /nfs/dbraw/zinc/01/96/53/946019653.db2.gz ORTAZLVHFIRIEB-GXFFZTMASA-N -1 3 388.457 0.325 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573470347 946021006 /nfs/dbraw/zinc/02/10/06/946021006.db2.gz DAVUCEXUBQZNEW-SGTLLEGYSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470347 946021016 /nfs/dbraw/zinc/02/10/16/946021016.db2.gz DAVUCEXUBQZNEW-SGTLLEGYSA-N -1 3 386.460 0.745 20 0 GCADHM Cc1nc(SCC(=O)NC[C@@H](O)c2c[nH]cn2)c(-c2nnn[n-]2)c(C)c1C ZINC001571289905 946022447 /nfs/dbraw/zinc/02/24/47/946022447.db2.gz PJYHOVTVPJNYRX-GFCCVEGCSA-N -1 3 388.457 0.852 20 0 GCADHM Cc1nc(SCC(=O)NC[C@@H](O)c2c[nH]cn2)c(-c2nn[n-]n2)c(C)c1C ZINC001571289905 946022460 /nfs/dbraw/zinc/02/24/60/946022460.db2.gz PJYHOVTVPJNYRX-GFCCVEGCSA-N -1 3 388.457 0.852 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573470478 946025545 /nfs/dbraw/zinc/02/55/45/946025545.db2.gz FQDNRMNWYYQXBN-GXFFZTMASA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573470478 946025553 /nfs/dbraw/zinc/02/55/53/946025553.db2.gz FQDNRMNWYYQXBN-GXFFZTMASA-N -1 3 390.423 0.718 20 0 GCADHM O=C(C1=CS(=O)(=O)CCC1)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571290193 946030946 /nfs/dbraw/zinc/03/09/46/946030946.db2.gz XLTPXSPERHMUJF-UHFFFAOYSA-N -1 3 388.453 0.608 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573470606 946031247 /nfs/dbraw/zinc/03/12/47/946031247.db2.gz HQCFNRHNHQDMAF-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470606 946031259 /nfs/dbraw/zinc/03/12/59/946031259.db2.gz HQCFNRHNHQDMAF-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)c3cccn3C)[C@H](O)C2)c1-c1nnn[n-]1 ZINC001571290134 946032851 /nfs/dbraw/zinc/03/28/51/946032851.db2.gz VWYFQEXLSBPYIW-CMPLNLGQSA-N -1 3 388.457 0.340 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573470685 946033834 /nfs/dbraw/zinc/03/38/34/946033834.db2.gz IOWNKTMWFRJMCP-TZMCWYRMSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470685 946033849 /nfs/dbraw/zinc/03/38/49/946033849.db2.gz IOWNKTMWFRJMCP-TZMCWYRMSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573470728 946037225 /nfs/dbraw/zinc/03/72/25/946037225.db2.gz JMMSVNUVRCVHDX-SGTLLEGYSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573470728 946037245 /nfs/dbraw/zinc/03/72/45/946037245.db2.gz JMMSVNUVRCVHDX-SGTLLEGYSA-N -1 3 386.460 0.745 20 0 GCADHM CCn1ncc(C(=O)NC[C@H]2CCCN2c2snc(C)c2-c2nnn[n-]2)n1 ZINC001571290299 946039081 /nfs/dbraw/zinc/03/90/81/946039081.db2.gz ZVXKRBVNANPKGJ-SNVBAGLBSA-N -1 3 388.461 0.642 20 0 GCADHM CCn1cc(C(=O)N[C@H]2C[C@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)nn1 ZINC001571290495 946043764 /nfs/dbraw/zinc/04/37/64/946043764.db2.gz GXKJYCPZGDRNTP-MGCOHNPYSA-N -1 3 388.823 0.899 20 0 GCADHM CCn1cc(C(=O)N[C@H]2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)nn1 ZINC001571290495 946043777 /nfs/dbraw/zinc/04/37/77/946043777.db2.gz GXKJYCPZGDRNTP-MGCOHNPYSA-N -1 3 388.823 0.899 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cc1nnc[nH]1 ZINC001571290526 946045041 /nfs/dbraw/zinc/04/50/41/946045041.db2.gz HYNPALUVNNHVSQ-KCJUWKMLSA-N -1 3 388.823 0.677 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001573471196 946045896 /nfs/dbraw/zinc/04/58/96/946045896.db2.gz NDEDDXPHJVJYKM-BNOWGMLFSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001573471196 946045908 /nfs/dbraw/zinc/04/59/08/946045908.db2.gz NDEDDXPHJVJYKM-BNOWGMLFSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573471449 946048636 /nfs/dbraw/zinc/04/86/36/946048636.db2.gz PAQWFQQJEJRSNL-GXTWGEPZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573471449 946048649 /nfs/dbraw/zinc/04/86/49/946048649.db2.gz PAQWFQQJEJRSNL-GXTWGEPZSA-N -1 3 386.460 0.827 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)c1ccc(Cl)[nH]1 ZINC001571290596 946048740 /nfs/dbraw/zinc/04/87/40/946048740.db2.gz JTLGZLAFINRRRT-JTQLQIEISA-N -1 3 388.819 0.878 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)c1ccc(Cl)[nH]1 ZINC001571290596 946048754 /nfs/dbraw/zinc/04/87/54/946048754.db2.gz JTLGZLAFINRRRT-JTQLQIEISA-N -1 3 388.819 0.878 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573471374 946049380 /nfs/dbraw/zinc/04/93/80/946049380.db2.gz OIFRKFYKQMFOOQ-BXKDBHETSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573471374 946049392 /nfs/dbraw/zinc/04/93/92/946049392.db2.gz OIFRKFYKQMFOOQ-BXKDBHETSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573471371 946050013 /nfs/dbraw/zinc/05/00/13/946050013.db2.gz OHYQLLPJCPQGAD-MGPLVRAMSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573471373 946050176 /nfs/dbraw/zinc/05/01/76/946050176.db2.gz OHYQLLPJCPQGAD-QLJPJBMISA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573471367 946050346 /nfs/dbraw/zinc/05/03/46/946050346.db2.gz OFZAJINOZGXQHF-LBPRGKRZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573471367 946050355 /nfs/dbraw/zinc/05/03/55/946050355.db2.gz OFZAJINOZGXQHF-LBPRGKRZSA-N -1 3 386.460 0.522 20 0 GCADHM Cc1[nH]nc(Cl)c1C(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571290643 946051821 /nfs/dbraw/zinc/05/18/21/946051821.db2.gz KSEPFVGBNAPMOM-SECBINFHSA-N -1 3 388.823 0.693 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N(CCC(F)(F)F)C[C@H](O)CO ZINC001571290768 946053004 /nfs/dbraw/zinc/05/30/04/946053004.db2.gz OIPBYMYADPTMRA-NSHDSACASA-N -1 3 389.334 0.380 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573471800 946054921 /nfs/dbraw/zinc/05/49/21/946054921.db2.gz RDVASBZYRUWTBK-CABZTGNLSA-N -1 3 392.851 0.477 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573471800 946054934 /nfs/dbraw/zinc/05/49/34/946054934.db2.gz RDVASBZYRUWTBK-CABZTGNLSA-N -1 3 392.851 0.477 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573471775 946055075 /nfs/dbraw/zinc/05/50/75/946055075.db2.gz RAPUJMNLKVNFBN-BXUZGUMPSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573471775 946055087 /nfs/dbraw/zinc/05/50/87/946055087.db2.gz RAPUJMNLKVNFBN-BXUZGUMPSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573471783 946055197 /nfs/dbraw/zinc/05/51/97/946055197.db2.gz RAPUJMNLKVNFBN-RISCZKNCSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573471783 946055209 /nfs/dbraw/zinc/05/52/09/946055209.db2.gz RAPUJMNLKVNFBN-RISCZKNCSA-N -1 3 386.460 0.744 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)nn1 ZINC001571290877 946059656 /nfs/dbraw/zinc/05/96/56/946059656.db2.gz RTRUQJZFSFVXOZ-CZMCAQCFSA-N -1 3 388.823 0.664 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)nn1 ZINC001571290877 946059670 /nfs/dbraw/zinc/05/96/70/946059670.db2.gz RTRUQJZFSFVXOZ-CZMCAQCFSA-N -1 3 388.823 0.664 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C(C)(C)C1 ZINC001573472350 946062992 /nfs/dbraw/zinc/06/29/92/946062992.db2.gz VQILSQHCEXLOHD-BXUZGUMPSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C(C)(C)C1 ZINC001573472350 946063004 /nfs/dbraw/zinc/06/30/04/946063004.db2.gz VQILSQHCEXLOHD-BXUZGUMPSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573472398 946067395 /nfs/dbraw/zinc/06/73/95/946067395.db2.gz WFQVQHMFFICYHR-SWLSCSKDSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573472398 946067402 /nfs/dbraw/zinc/06/74/02/946067402.db2.gz WFQVQHMFFICYHR-SWLSCSKDSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573473147 946078021 /nfs/dbraw/zinc/07/80/21/946078021.db2.gz ZNIZJVMEVTUGRH-YPMHNXCESA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573473147 946078032 /nfs/dbraw/zinc/07/80/32/946078032.db2.gz ZNIZJVMEVTUGRH-YPMHNXCESA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573473495 946079520 /nfs/dbraw/zinc/07/95/20/946079520.db2.gz DSVSKGHPUSSHKB-ONERCXAPSA-N -1 3 387.419 0.316 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573473495 946079533 /nfs/dbraw/zinc/07/95/33/946079533.db2.gz DSVSKGHPUSSHKB-ONERCXAPSA-N -1 3 387.419 0.316 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573473458 946080238 /nfs/dbraw/zinc/08/02/38/946080238.db2.gz CKJDNBTXFGLNIM-IUODEOHRSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573473458 946080249 /nfs/dbraw/zinc/08/02/49/946080249.db2.gz CKJDNBTXFGLNIM-IUODEOHRSA-N -1 3 386.460 0.604 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC(NC(=O)CC2OCCCO2)C1 ZINC001571291614 946080459 /nfs/dbraw/zinc/08/04/59/946080459.db2.gz MXUXMBYHJPFPSP-UHFFFAOYSA-N -1 3 389.416 0.067 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC(NC(=O)CC2OCCCO2)C1 ZINC001571291614 946080470 /nfs/dbraw/zinc/08/04/70/946080470.db2.gz MXUXMBYHJPFPSP-UHFFFAOYSA-N -1 3 389.416 0.067 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c(C(F)F)n1 ZINC001571291821 946083324 /nfs/dbraw/zinc/08/33/24/946083324.db2.gz QJEINVKPJXYFNN-JTQLQIEISA-N -1 3 389.370 0.942 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c(C(F)F)n1 ZINC001571291821 946083329 /nfs/dbraw/zinc/08/33/29/946083329.db2.gz QJEINVKPJXYFNN-JTQLQIEISA-N -1 3 389.370 0.942 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573474066 946084665 /nfs/dbraw/zinc/08/46/65/946084665.db2.gz IEHXMFACYJHNGI-BXKDBHETSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573474066 946084677 /nfs/dbraw/zinc/08/46/77/946084677.db2.gz IEHXMFACYJHNGI-BXKDBHETSA-N -1 3 392.851 0.843 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@H]1COC(=O)N1 ZINC001571291805 946085286 /nfs/dbraw/zinc/08/52/86/946085286.db2.gz PQLGOCWJFIBABQ-SMDDNHRTSA-N -1 3 389.391 0.195 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@H]1COC(=O)N1 ZINC001571291805 946085297 /nfs/dbraw/zinc/08/52/97/946085297.db2.gz PQLGOCWJFIBABQ-SMDDNHRTSA-N -1 3 389.391 0.195 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573474091 946086748 /nfs/dbraw/zinc/08/67/48/946086748.db2.gz IGLCYOYHITVZJU-QWRGUYRKSA-N -1 3 389.435 0.467 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC001571292036 946087436 /nfs/dbraw/zinc/08/74/36/946087436.db2.gz TWNYDZXFESOHDU-FZMZJTMJSA-N -1 3 389.412 0.813 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC001571292036 946087447 /nfs/dbraw/zinc/08/74/47/946087447.db2.gz TWNYDZXFESOHDU-FZMZJTMJSA-N -1 3 389.412 0.813 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@](C)(CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573474387 946091613 /nfs/dbraw/zinc/09/16/13/946091613.db2.gz LCOAAWOJXDEAOL-XYZCENFISA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@](C)(CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573474387 946091625 /nfs/dbraw/zinc/09/16/25/946091625.db2.gz LCOAAWOJXDEAOL-XYZCENFISA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)CCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573475216 946100082 /nfs/dbraw/zinc/10/00/82/946100082.db2.gz RBHKIYCWDIBZDX-GHMZBOCLSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)CCCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573475216 946100090 /nfs/dbraw/zinc/10/00/90/946100090.db2.gz RBHKIYCWDIBZDX-GHMZBOCLSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573475394 946101046 /nfs/dbraw/zinc/10/10/46/946101046.db2.gz SUWCIPXRXCFMFJ-SECBINFHSA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573475394 946101054 /nfs/dbraw/zinc/10/10/54/946101054.db2.gz SUWCIPXRXCFMFJ-SECBINFHSA-N -1 3 378.824 0.088 20 0 GCADHM CCN1CCOC[C@H]1C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571293334 946101430 /nfs/dbraw/zinc/10/14/30/946101430.db2.gz FZWMLDJBEOTFOT-INIZCTEOSA-N -1 3 389.435 0.027 20 0 GCADHM CCN1CCOC[C@H]1C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571293334 946101435 /nfs/dbraw/zinc/10/14/35/946101435.db2.gz FZWMLDJBEOTFOT-INIZCTEOSA-N -1 3 389.435 0.027 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573475753 946104172 /nfs/dbraw/zinc/10/41/72/946104172.db2.gz ALHZAPTUZJPACY-BXUZGUMPSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573475753 946104176 /nfs/dbraw/zinc/10/41/76/946104176.db2.gz ALHZAPTUZJPACY-BXUZGUMPSA-N -1 3 386.460 0.507 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)c1ccnc(C2CC2)n1 ZINC001571293596 946110473 /nfs/dbraw/zinc/11/04/73/946110473.db2.gz MEDCXDRWMGGYBC-NHAGDIPZSA-N -1 3 389.423 0.794 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)c1ccnc(C2CC2)n1 ZINC001571293596 946110486 /nfs/dbraw/zinc/11/04/86/946110486.db2.gz MEDCXDRWMGGYBC-NHAGDIPZSA-N -1 3 389.423 0.794 20 0 GCADHM CCC(CC)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571293597 946111076 /nfs/dbraw/zinc/11/10/76/946111076.db2.gz MEOHVGGDAQFILF-ZIAGYGMSSA-N -1 3 389.460 0.713 20 0 GCADHM CCC(CC)(CC)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571293597 946111081 /nfs/dbraw/zinc/11/10/81/946111081.db2.gz MEOHVGGDAQFILF-ZIAGYGMSSA-N -1 3 389.460 0.713 20 0 GCADHM CNC(=O)Cn1nc(NC(=O)N(C)Cc2cc(-c3nnn[n-]3)cs2)cc1C ZINC001571293670 946113835 /nfs/dbraw/zinc/11/38/35/946113835.db2.gz OORWKZJXTZGKFP-UHFFFAOYSA-N -1 3 389.445 0.843 20 0 GCADHM CNC(=O)Cn1nc(NC(=O)N(C)Cc2cc(-c3nn[n-]n3)cs2)cc1C ZINC001571293670 946113840 /nfs/dbraw/zinc/11/38/40/946113840.db2.gz OORWKZJXTZGKFP-UHFFFAOYSA-N -1 3 389.445 0.843 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001573476129 946114117 /nfs/dbraw/zinc/11/41/17/946114117.db2.gz ZSUVDBDFZQQDBK-OMPKRAJASA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001573476129 946114119 /nfs/dbraw/zinc/11/41/19/946114119.db2.gz ZSUVDBDFZQQDBK-OMPKRAJASA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001573476205 946115502 /nfs/dbraw/zinc/11/55/02/946115502.db2.gz DQNYQILMPDUFTC-TVQRCGJNSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001573476205 946115506 /nfs/dbraw/zinc/11/55/06/946115506.db2.gz DQNYQILMPDUFTC-TVQRCGJNSA-N -1 3 392.439 0.868 20 0 GCADHM CC[C@H](OC)C(=O)N1CCC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571293822 946117700 /nfs/dbraw/zinc/11/77/00/946117700.db2.gz SQNRWEDOCPBGQI-NHYWBVRUSA-N -1 3 389.460 0.977 20 0 GCADHM CC[C@H](OC)C(=O)N1CCC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571293822 946117712 /nfs/dbraw/zinc/11/77/12/946117712.db2.gz SQNRWEDOCPBGQI-NHYWBVRUSA-N -1 3 389.460 0.977 20 0 GCADHM CC[C@@H](OC)C(=O)N1CCC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571293823 946117927 /nfs/dbraw/zinc/11/79/27/946117927.db2.gz SQNRWEDOCPBGQI-XHDPSFHLSA-N -1 3 389.460 0.977 20 0 GCADHM CC[C@@H](OC)C(=O)N1CCC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571293823 946117932 /nfs/dbraw/zinc/11/79/32/946117932.db2.gz SQNRWEDOCPBGQI-XHDPSFHLSA-N -1 3 389.460 0.977 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN(c3cnn(C)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000822541912 946118441 /nfs/dbraw/zinc/11/84/41/946118441.db2.gz RGAHSTIGDPROCH-LBPRGKRZSA-N -1 3 399.459 0.959 20 0 GCADHM CO[C@H](C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1)C(C)C ZINC001571293920 946119740 /nfs/dbraw/zinc/11/97/40/946119740.db2.gz WEIWWYJKZOPGCE-KYOSRNDESA-N -1 3 389.460 0.690 20 0 GCADHM CO[C@H](C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1)C(C)C ZINC001571293920 946119744 /nfs/dbraw/zinc/11/97/44/946119744.db2.gz WEIWWYJKZOPGCE-KYOSRNDESA-N -1 3 389.460 0.690 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(c3cnn(C)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000822547653 946120624 /nfs/dbraw/zinc/12/06/24/946120624.db2.gz AIWBBRPDUJNHBT-UHFFFAOYSA-N -1 3 385.432 0.571 20 0 GCADHM CC[C@@H](OC)C(=O)N1CCC[C@](CO)(Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571293960 946121357 /nfs/dbraw/zinc/12/13/57/946121357.db2.gz XBJYWIOGPQINBC-KDOFPFPSSA-N -1 3 389.460 0.761 20 0 GCADHM CC[C@@H](OC)C(=O)N1CCC[C@](CO)(Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571293960 946121371 /nfs/dbraw/zinc/12/13/71/946121371.db2.gz XBJYWIOGPQINBC-KDOFPFPSSA-N -1 3 389.460 0.761 20 0 GCADHM Cc1nsc(N2CC[C@@H](N(C)C(=O)c3[nH]c(=O)[nH]c3C)C2)c1-c1nnn[n-]1 ZINC001571294026 946122715 /nfs/dbraw/zinc/12/27/15/946122715.db2.gz YPCRVFKOSXEAFV-SECBINFHSA-N -1 3 389.445 0.720 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573476714 946124029 /nfs/dbraw/zinc/12/40/29/946124029.db2.gz IXYYGBCEVFKCBI-ABAIWWIYSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573476714 946124034 /nfs/dbraw/zinc/12/40/34/946124034.db2.gz IXYYGBCEVFKCBI-ABAIWWIYSA-N -1 3 389.435 0.611 20 0 GCADHM O=C(NCc1cncc(-c2nnn[n-]2)c1)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001571294225 946129908 /nfs/dbraw/zinc/12/99/08/946129908.db2.gz BJZPNJKCHACONW-UWVGGRQHSA-N -1 3 390.347 0.101 20 0 GCADHM O=C(NCc1cncc(-c2nn[n-]n2)c1)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001571294225 946129914 /nfs/dbraw/zinc/12/99/14/946129914.db2.gz BJZPNJKCHACONW-UWVGGRQHSA-N -1 3 390.347 0.101 20 0 GCADHM Cn1ncc(Cl)c1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571294258 946130042 /nfs/dbraw/zinc/13/00/42/946130042.db2.gz CNAKBSLJFYAPPQ-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1ncc(Cl)c1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571294258 946130051 /nfs/dbraw/zinc/13/00/51/946130051.db2.gz CNAKBSLJFYAPPQ-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM O=C(NCc1cncc(-c2nnn[n-]2)c1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001571294227 946130675 /nfs/dbraw/zinc/13/06/75/946130675.db2.gz BJZPNJKCHACONW-ZJUUUORDSA-N -1 3 390.347 0.101 20 0 GCADHM O=C(NCc1cncc(-c2nn[n-]n2)c1)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001571294227 946130679 /nfs/dbraw/zinc/13/06/79/946130679.db2.gz BJZPNJKCHACONW-ZJUUUORDSA-N -1 3 390.347 0.101 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1(C)C ZINC001573477278 946131814 /nfs/dbraw/zinc/13/18/14/946131814.db2.gz NVMCQUNJQOPOBU-FZMZJTMJSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1(C)C ZINC001573477278 946131823 /nfs/dbraw/zinc/13/18/23/946131823.db2.gz NVMCQUNJQOPOBU-FZMZJTMJSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573477410 946134233 /nfs/dbraw/zinc/13/42/33/946134233.db2.gz QAFDNHCAPMCVMB-RKDXNWHRSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573477410 946134241 /nfs/dbraw/zinc/13/42/41/946134241.db2.gz QAFDNHCAPMCVMB-RKDXNWHRSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573477575 946138872 /nfs/dbraw/zinc/13/88/72/946138872.db2.gz SCFUWARDELDGMG-JTQLQIEISA-N -1 3 392.489 0.631 20 0 GCADHM CN(C(=O)c1cc(C(F)F)n[nH]1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571294584 946139208 /nfs/dbraw/zinc/13/92/08/946139208.db2.gz JRDTZFIWIXVGGS-QMMMGPOBSA-N -1 3 390.358 0.668 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1NCc1nn(C)cc1Cl ZINC001571294666 946140538 /nfs/dbraw/zinc/14/05/38/946140538.db2.gz LLDBZNYBEYMDSQ-OTYXRUKQSA-N -1 3 389.851 0.832 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1NCc1nn(C)cc1Cl ZINC001571294666 946140547 /nfs/dbraw/zinc/14/05/47/946140547.db2.gz LLDBZNYBEYMDSQ-OTYXRUKQSA-N -1 3 389.851 0.832 20 0 GCADHM Cn1cc(Cl)c(CN[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571294624 946140917 /nfs/dbraw/zinc/14/09/17/946140917.db2.gz KGTNORYWDVLSKQ-AOOOYVTPSA-N -1 3 389.851 0.880 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573477583 946140976 /nfs/dbraw/zinc/14/09/76/946140976.db2.gz SDTSPXBVWUFIGN-KWQFWETISA-N -1 3 378.824 0.135 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573477583 946140982 /nfs/dbraw/zinc/14/09/82/946140982.db2.gz SDTSPXBVWUFIGN-KWQFWETISA-N -1 3 378.824 0.135 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC001571294640 946141270 /nfs/dbraw/zinc/14/12/70/946141270.db2.gz KPYZJHWCUYQDES-NSHDSACASA-N -1 3 389.851 0.928 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC001571294640 946141276 /nfs/dbraw/zinc/14/12/76/946141276.db2.gz KPYZJHWCUYQDES-NSHDSACASA-N -1 3 389.851 0.928 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CCC(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573477913 946142836 /nfs/dbraw/zinc/14/28/36/946142836.db2.gz VFFOBZUQKHOJOM-LMWSTFAQSA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CCC(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573477913 946142844 /nfs/dbraw/zinc/14/28/44/946142844.db2.gz VFFOBZUQKHOJOM-LMWSTFAQSA-N -1 3 386.460 0.934 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1Cl ZINC001571294921 946147606 /nfs/dbraw/zinc/14/76/06/946147606.db2.gz PVKIULUEECGWEL-ZKCHVHJHSA-N -1 3 389.807 0.273 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1Cl ZINC001571294921 946147613 /nfs/dbraw/zinc/14/76/13/946147613.db2.gz PVKIULUEECGWEL-ZKCHVHJHSA-N -1 3 389.807 0.273 20 0 GCADHM O=C(NC[C@H]1CN(c2ncncc2Cl)CCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571295021 946151837 /nfs/dbraw/zinc/15/18/37/946151837.db2.gz RTOZKVZAKSFYSO-VIFPVBQESA-N -1 3 389.807 0.273 20 0 GCADHM O=C(NC[C@H]1CN(c2ncncc2Cl)CCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571295021 946151840 /nfs/dbraw/zinc/15/18/40/946151840.db2.gz RTOZKVZAKSFYSO-VIFPVBQESA-N -1 3 389.807 0.273 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(CCCOc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822673834 946153066 /nfs/dbraw/zinc/15/30/66/946153066.db2.gz CTKXGLIKOKRLHM-OAHLLOKOSA-N -1 3 395.423 0.987 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822674118 946153720 /nfs/dbraw/zinc/15/37/20/946153720.db2.gz LPULQAQVQHSZFJ-CYBMUJFWSA-N -1 3 394.395 0.157 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674118 946153724 /nfs/dbraw/zinc/15/37/24/946153724.db2.gz LPULQAQVQHSZFJ-CYBMUJFWSA-N -1 3 394.395 0.157 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(CCOc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674057 946153733 /nfs/dbraw/zinc/15/37/33/946153733.db2.gz KKSKCQGEGUQDIZ-AWEZNQCLSA-N -1 3 381.396 0.597 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573478961 946153923 /nfs/dbraw/zinc/15/39/23/946153923.db2.gz ZOJXVPQYPUWXES-HZMBPMFUSA-N -1 3 375.408 0.221 20 0 GCADHM Cn1c(Cl)cnc1CN1CC[C@@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571295126 946154088 /nfs/dbraw/zinc/15/40/88/946154088.db2.gz UJQYQSKUSRRJFG-MRXNPFEDSA-N -1 3 389.851 0.976 20 0 GCADHM Cn1c(Cl)cnc1CN1CC[C@@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571295126 946154095 /nfs/dbraw/zinc/15/40/95/946154095.db2.gz UJQYQSKUSRRJFG-MRXNPFEDSA-N -1 3 389.851 0.976 20 0 GCADHM Cn1nc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1Cl ZINC001571295131 946154873 /nfs/dbraw/zinc/15/48/73/946154873.db2.gz UMAUBWZMYDXHFE-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM Cn1nc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cc1Cl ZINC001571295131 946154878 /nfs/dbraw/zinc/15/48/78/946154878.db2.gz UMAUBWZMYDXHFE-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC000822684594 946156257 /nfs/dbraw/zinc/15/62/57/946156257.db2.gz DAOVIQQTAYVJDQ-UHFFFAOYSA-N -1 3 389.445 0.260 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC000822684594 946156262 /nfs/dbraw/zinc/15/62/62/946156262.db2.gz DAOVIQQTAYVJDQ-UHFFFAOYSA-N -1 3 389.445 0.260 20 0 GCADHM Cn1cc(N2CCN(Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CC2)cn1 ZINC000822685353 946158904 /nfs/dbraw/zinc/15/89/04/946158904.db2.gz XSNOIDJJDZXICN-UHFFFAOYSA-N -1 3 392.427 0.972 20 0 GCADHM Cn1cc(N2CCN(Cc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)CC2)cn1 ZINC000822685353 946158911 /nfs/dbraw/zinc/15/89/11/946158911.db2.gz XSNOIDJJDZXICN-UHFFFAOYSA-N -1 3 392.427 0.972 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O)[C@@H]1C[C@H]1C1CC1 ZINC001571295378 946162367 /nfs/dbraw/zinc/16/23/67/946162367.db2.gz ZEFPTKHHMFYBJT-UNJBNNCHSA-N -1 3 389.847 0.627 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O)[C@@H]1C[C@H]1C1CC1 ZINC001571295378 946162374 /nfs/dbraw/zinc/16/23/74/946162374.db2.gz ZEFPTKHHMFYBJT-UNJBNNCHSA-N -1 3 389.847 0.627 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCCN1c1ncccc1-c1nnn[n-]1 ZINC001573479599 946163164 /nfs/dbraw/zinc/16/31/64/946163164.db2.gz FRQCHDDBANDUHD-TZMCWYRMSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573479599 946163172 /nfs/dbraw/zinc/16/31/72/946163172.db2.gz FRQCHDDBANDUHD-TZMCWYRMSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573479560 946163668 /nfs/dbraw/zinc/16/36/68/946163668.db2.gz FGMDUHMLTQSUIP-SGTLLEGYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573479560 946163677 /nfs/dbraw/zinc/16/36/77/946163677.db2.gz FGMDUHMLTQSUIP-SGTLLEGYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573479525 946164387 /nfs/dbraw/zinc/16/43/87/946164387.db2.gz DYGCMEOYYJVMTC-KOLCDFICSA-N -1 3 392.851 0.382 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573479525 946164397 /nfs/dbraw/zinc/16/43/97/946164397.db2.gz DYGCMEOYYJVMTC-KOLCDFICSA-N -1 3 392.851 0.382 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573479558 946164479 /nfs/dbraw/zinc/16/44/79/946164479.db2.gz FGMDUHMLTQSUIP-KPZWWZAWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573479558 946164485 /nfs/dbraw/zinc/16/44/85/946164485.db2.gz FGMDUHMLTQSUIP-KPZWWZAWSA-N -1 3 386.460 0.509 20 0 GCADHM Cc1nsc(NC[C@H]2CN(C(=O)c3cn[nH]n3)CCCO2)c1-c1nnn[n-]1 ZINC001571295637 946168337 /nfs/dbraw/zinc/16/83/37/946168337.db2.gz AAWOAXWFSMMELV-VIFPVBQESA-N -1 3 390.433 0.093 20 0 GCADHM O=C(CCN1CCOCC1)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571295763 946174831 /nfs/dbraw/zinc/17/48/31/946174831.db2.gz FGERLZDQDDAPBK-ZDUSSCGKSA-N -1 3 390.423 0.136 20 0 GCADHM O=C(CCN1CCOCC1)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571295763 946174840 /nfs/dbraw/zinc/17/48/40/946174840.db2.gz FGERLZDQDDAPBK-ZDUSSCGKSA-N -1 3 390.423 0.136 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCCO1 ZINC001571296508 946195988 /nfs/dbraw/zinc/19/59/88/946195988.db2.gz ZQNJXVOGMXENPB-GDBMZVCRSA-N -1 3 390.419 0.502 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCCO1 ZINC001571296508 946195995 /nfs/dbraw/zinc/19/59/95/946195995.db2.gz ZQNJXVOGMXENPB-GDBMZVCRSA-N -1 3 390.419 0.502 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573482415 946196373 /nfs/dbraw/zinc/19/63/73/946196373.db2.gz WHLWGCDXZZUBLK-TZMCWYRMSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573482415 946196380 /nfs/dbraw/zinc/19/63/80/946196380.db2.gz WHLWGCDXZZUBLK-TZMCWYRMSA-N -1 3 386.460 0.427 20 0 GCADHM CO[C@H](C)C(=O)N1CCOC2(CN(Cc3cc(F)ccc3-c3nnn[n-]3)C2)C1 ZINC001571296486 946197134 /nfs/dbraw/zinc/19/71/34/946197134.db2.gz ZGJBHDJQOLMLBY-GFCCVEGCSA-N -1 3 390.419 0.454 20 0 GCADHM CO[C@H](C)C(=O)N1CCOC2(CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)C1 ZINC001571296486 946197141 /nfs/dbraw/zinc/19/71/41/946197141.db2.gz ZGJBHDJQOLMLBY-GFCCVEGCSA-N -1 3 390.419 0.454 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571296457 946197194 /nfs/dbraw/zinc/19/71/94/946197194.db2.gz YOSFQYYDWQMWKM-INIZCTEOSA-N -1 3 390.419 0.456 20 0 GCADHM Cc1nsc(N2CC[C@H](N(C)C(=O)[C@H]3CCCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571297886 946198198 /nfs/dbraw/zinc/19/81/98/946198198.db2.gz CBEAWFKGVRLKPV-WDEREUQCSA-N -1 3 390.473 0.337 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482615 946200200 /nfs/dbraw/zinc/20/02/00/946200200.db2.gz YRGPQYNZEOCVEL-SNVBAGLBSA-N -1 3 375.408 0.078 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573482615 946200205 /nfs/dbraw/zinc/20/02/05/946200205.db2.gz YRGPQYNZEOCVEL-SNVBAGLBSA-N -1 3 375.408 0.078 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573482644 946200842 /nfs/dbraw/zinc/20/08/42/946200842.db2.gz ZJVKDGLECOUHNH-SWLSCSKDSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573482644 946200847 /nfs/dbraw/zinc/20/08/47/946200847.db2.gz ZJVKDGLECOUHNH-SWLSCSKDSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573482645 946200952 /nfs/dbraw/zinc/20/09/52/946200952.db2.gz ZJVKDGLECOUHNH-WFASDCNBSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573482645 946200961 /nfs/dbraw/zinc/20/09/61/946200961.db2.gz ZJVKDGLECOUHNH-WFASDCNBSA-N -1 3 386.460 0.652 20 0 GCADHM Cc1nsc(N2CC[C@@](C)(NC(=O)[C@@H]3CCNC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571298024 946203519 /nfs/dbraw/zinc/20/35/19/946203519.db2.gz HKKABUWSQFKTKA-QLJPJBMISA-N -1 3 390.473 0.243 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573482835 946203600 /nfs/dbraw/zinc/20/36/00/946203600.db2.gz AKZLLQUNWJCXDF-MPKXVKKWSA-N -1 3 386.460 0.283 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573482835 946203610 /nfs/dbraw/zinc/20/36/10/946203610.db2.gz AKZLLQUNWJCXDF-MPKXVKKWSA-N -1 3 386.460 0.283 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822868551 946206964 /nfs/dbraw/zinc/20/69/64/946206964.db2.gz CNVFULVFPPZWAR-UHFFFAOYSA-N -1 3 381.396 0.730 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822868551 946206973 /nfs/dbraw/zinc/20/69/73/946206973.db2.gz CNVFULVFPPZWAR-UHFFFAOYSA-N -1 3 381.396 0.730 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573483395 946208695 /nfs/dbraw/zinc/20/86/95/946208695.db2.gz FUWUIRJHNMRSOE-QMTHXVAHSA-N -1 3 375.408 0.221 20 0 GCADHM NC(=O)c1ccc(CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822885117 946210652 /nfs/dbraw/zinc/21/06/52/946210652.db2.gz IOTKVBGMLIGVNV-UHFFFAOYSA-N -1 3 383.437 0.910 20 0 GCADHM NC(=O)c1ccc(CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822885117 946210662 /nfs/dbraw/zinc/21/06/62/946210662.db2.gz IOTKVBGMLIGVNV-UHFFFAOYSA-N -1 3 383.437 0.910 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573483703 946211852 /nfs/dbraw/zinc/21/18/52/946211852.db2.gz GYQZLTVMRDODCL-PTOFAABTSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573483703 946211861 /nfs/dbraw/zinc/21/18/61/946211861.db2.gz GYQZLTVMRDODCL-PTOFAABTSA-N -1 3 392.851 0.746 20 0 GCADHM Cc1nsc(N(C)[C@H]2CCN(C(=O)C[C@@H]3CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571298441 946215349 /nfs/dbraw/zinc/21/53/49/946215349.db2.gz NVTJZRQYZPNDTA-QWRGUYRKSA-N -1 3 390.473 0.337 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573485009 946221219 /nfs/dbraw/zinc/22/12/19/946221219.db2.gz OZUZQQZPGNGNNW-RYUDHWBXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573485009 946221229 /nfs/dbraw/zinc/22/12/29/946221229.db2.gz OZUZQQZPGNGNNW-RYUDHWBXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1(CNc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573484940 946221405 /nfs/dbraw/zinc/22/14/05/946221405.db2.gz NRSHXTUCLOULAW-LBPRGKRZSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1(CNc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573484940 946221417 /nfs/dbraw/zinc/22/14/17/946221417.db2.gz NRSHXTUCLOULAW-LBPRGKRZSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573485020 946223201 /nfs/dbraw/zinc/22/32/01/946223201.db2.gz PIPIHVRDEQXWAF-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573485020 946223213 /nfs/dbraw/zinc/22/32/13/946223213.db2.gz PIPIHVRDEQXWAF-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573485380 946224596 /nfs/dbraw/zinc/22/45/96/946224596.db2.gz RKKYBLWCANHFRR-XHVZSJERSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573485380 946224611 /nfs/dbraw/zinc/22/46/11/946224611.db2.gz RKKYBLWCANHFRR-XHVZSJERSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573485746 946233229 /nfs/dbraw/zinc/23/32/29/946233229.db2.gz XYAALZPCUZOVLT-FRJFDASCSA-N -1 3 387.419 0.756 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573485746 946233241 /nfs/dbraw/zinc/23/32/41/946233241.db2.gz XYAALZPCUZOVLT-FRJFDASCSA-N -1 3 387.419 0.756 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCN(c1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573485749 946233632 /nfs/dbraw/zinc/23/36/32/946233632.db2.gz YATXGKJSDNARLH-VIFPVBQESA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCN(c1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573485749 946233640 /nfs/dbraw/zinc/23/36/40/946233640.db2.gz YATXGKJSDNARLH-VIFPVBQESA-N -1 3 376.396 0.010 20 0 GCADHM O=C(CCCn1cncn1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000822964940 946239636 /nfs/dbraw/zinc/23/96/36/946239636.db2.gz ULQJYDCKLSVRTQ-UHFFFAOYSA-N -1 3 397.443 0.838 20 0 GCADHM O=C(CCCn1cncn1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000822964940 946239643 /nfs/dbraw/zinc/23/96/43/946239643.db2.gz ULQJYDCKLSVRTQ-UHFFFAOYSA-N -1 3 397.443 0.838 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1C ZINC001573486383 946241752 /nfs/dbraw/zinc/24/17/52/946241752.db2.gz FAWSXXOTXGIZFI-USBNGQNGSA-N -1 3 389.435 0.609 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573486940 946247307 /nfs/dbraw/zinc/24/73/07/946247307.db2.gz JJZOUBDXYNJUPN-RCCPXBDUSA-N -1 3 389.485 0.674 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001573487301 946248112 /nfs/dbraw/zinc/24/81/12/946248112.db2.gz MGSMWTPLSHVZKM-USBNGQNGSA-N -1 3 389.435 0.609 20 0 GCADHM O=C(CO)NCCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001571299618 946255970 /nfs/dbraw/zinc/25/59/70/946255970.db2.gz NHOWJTCASNRHCP-UHFFFAOYSA-N -1 3 390.791 0.143 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@@H]1CCC(=O)N1 ZINC001571299612 946256711 /nfs/dbraw/zinc/25/67/11/946256711.db2.gz MYDCEGOJLSIGJL-JQWIXIFHSA-N -1 3 390.835 0.279 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@@H]1CCC(=O)N1 ZINC001571299612 946256720 /nfs/dbraw/zinc/25/67/20/946256720.db2.gz MYDCEGOJLSIGJL-JQWIXIFHSA-N -1 3 390.835 0.279 20 0 GCADHM Cc1nsc(NC[C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571299595 946257760 /nfs/dbraw/zinc/25/77/60/946257760.db2.gz YHQVONRUEQSZTL-QFYYESIMSA-N -1 3 390.473 0.561 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573487879 946261133 /nfs/dbraw/zinc/26/11/33/946261133.db2.gz VFFOBZUQKHOJOM-MRVWCRGKSA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573487879 946261146 /nfs/dbraw/zinc/26/11/46/946261146.db2.gz VFFOBZUQKHOJOM-MRVWCRGKSA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573487991 946261844 /nfs/dbraw/zinc/26/18/44/946261844.db2.gz WEPDSFUEHVKTCM-PWSUYJOCSA-N -1 3 377.474 0.533 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823009264 946264308 /nfs/dbraw/zinc/26/43/08/946264308.db2.gz BHVNLIODCJPHMV-LSDHHAIUSA-N -1 3 390.469 0.847 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573488510 946266482 /nfs/dbraw/zinc/26/64/82/946266482.db2.gz ASLCRYJOUCVEHH-AWEZNQCLSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573488510 946266495 /nfs/dbraw/zinc/26/64/95/946266495.db2.gz ASLCRYJOUCVEHH-AWEZNQCLSA-N -1 3 384.444 0.723 20 0 GCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571299936 946267901 /nfs/dbraw/zinc/26/79/01/946267901.db2.gz RLCVZTITKOYGJL-QWRGUYRKSA-N -1 3 390.835 0.075 20 0 GCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571299936 946267912 /nfs/dbraw/zinc/26/79/12/946267912.db2.gz RLCVZTITKOYGJL-QWRGUYRKSA-N -1 3 390.835 0.075 20 0 GCADHM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488639 946273023 /nfs/dbraw/zinc/27/30/23/946273023.db2.gz GPMZYJUNFDPNRA-GFCCVEGCSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488639 946273034 /nfs/dbraw/zinc/27/30/34/946273034.db2.gz GPMZYJUNFDPNRA-GFCCVEGCSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488823 946276515 /nfs/dbraw/zinc/27/65/15/946276515.db2.gz NBIJSAFZUQKOLH-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488823 946276525 /nfs/dbraw/zinc/27/65/25/946276525.db2.gz NBIJSAFZUQKOLH-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1cnn(-c2ccccc2)c1 ZINC000823022908 946279438 /nfs/dbraw/zinc/27/94/38/946279438.db2.gz PRVVNBXXUNATMP-UHFFFAOYSA-N -1 3 392.379 0.854 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1cnn(-c2ccccc2)c1 ZINC000823022908 946279445 /nfs/dbraw/zinc/27/94/45/946279445.db2.gz PRVVNBXXUNATMP-UHFFFAOYSA-N -1 3 392.379 0.854 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2ncccc2-c2nnn[n-]2)CCCCC1 ZINC001573488923 946279552 /nfs/dbraw/zinc/27/95/52/946279552.db2.gz QAHNXMVWCVENLX-UHFFFAOYSA-N -1 3 386.460 0.653 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2ncccc2-c2nn[n-]n2)CCCCC1 ZINC001573488923 946279560 /nfs/dbraw/zinc/27/95/60/946279560.db2.gz QAHNXMVWCVENLX-UHFFFAOYSA-N -1 3 386.460 0.653 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488879 946280563 /nfs/dbraw/zinc/28/05/63/946280563.db2.gz OUTQWNIUKODZGK-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488879 946280569 /nfs/dbraw/zinc/28/05/69/946280569.db2.gz OUTQWNIUKODZGK-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CNc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573489021 946282117 /nfs/dbraw/zinc/28/21/17/946282117.db2.gz UVJBRNLDBXJGPT-VIFPVBQESA-N -1 3 392.489 0.997 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CNc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573489020 946282293 /nfs/dbraw/zinc/28/22/93/946282293.db2.gz UVJBRNLDBXJGPT-SECBINFHSA-N -1 3 392.489 0.997 20 0 GCADHM CN(c1ccnc(C(N)=O)c1)S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001571301767 946283262 /nfs/dbraw/zinc/28/32/62/946283262.db2.gz COMNCENRJAINOS-UHFFFAOYSA-N -1 3 391.388 0.466 20 0 GCADHM CN(c1ccnc(C(N)=O)c1)S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001571301767 946283273 /nfs/dbraw/zinc/28/32/73/946283273.db2.gz COMNCENRJAINOS-UHFFFAOYSA-N -1 3 391.388 0.466 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1 ZINC001571301802 946283926 /nfs/dbraw/zinc/28/39/26/946283926.db2.gz DSQCQZFGLAVSIL-UFGOTCBOSA-N -1 3 391.382 0.913 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1 ZINC001571301802 946283933 /nfs/dbraw/zinc/28/39/33/946283933.db2.gz DSQCQZFGLAVSIL-UFGOTCBOSA-N -1 3 391.382 0.913 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573489035 946284322 /nfs/dbraw/zinc/28/43/22/946284322.db2.gz VAGZKZJXEJVXFJ-UHFFFAOYSA-N -1 3 392.489 0.951 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@@H]2C1 ZINC001571301879 946284645 /nfs/dbraw/zinc/28/46/45/946284645.db2.gz GPSXXHHDUWTSHJ-OUAUKWLOSA-N -1 3 391.382 0.771 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@@H]2CN(C(=O)[C@H]3CC3(F)F)C[C@@H]2C1 ZINC001571301879 946284652 /nfs/dbraw/zinc/28/46/52/946284652.db2.gz GPSXXHHDUWTSHJ-OUAUKWLOSA-N -1 3 391.382 0.771 20 0 GCADHM Cn1cc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C(F)F)n1 ZINC001571301897 946286402 /nfs/dbraw/zinc/28/64/02/946286402.db2.gz HDZVLUSLCPVDLG-SNVBAGLBSA-N -1 3 391.386 0.870 20 0 GCADHM Cn1cc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C(F)F)n1 ZINC001571301897 946286410 /nfs/dbraw/zinc/28/64/10/946286410.db2.gz HDZVLUSLCPVDLG-SNVBAGLBSA-N -1 3 391.386 0.870 20 0 GCADHM CCOC(=O)c1c(NC(=O)N[C@H]2C[C@H](C)OC2=O)c(-c2nnn[n-]2)cn1CC ZINC001571302050 946290762 /nfs/dbraw/zinc/29/07/62/946290762.db2.gz MRJQKHPEFHTOMG-WPRPVWTQSA-N -1 3 391.388 0.690 20 0 GCADHM CCOC(=O)c1c(NC(=O)N[C@H]2C[C@H](C)OC2=O)c(-c2nn[n-]n2)cn1CC ZINC001571302050 946290769 /nfs/dbraw/zinc/29/07/69/946290769.db2.gz MRJQKHPEFHTOMG-WPRPVWTQSA-N -1 3 391.388 0.690 20 0 GCADHM CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@@H](C)OC2=O)c(-c2nnn[n-]2)cn1CC ZINC001571302047 946290838 /nfs/dbraw/zinc/29/08/38/946290838.db2.gz MRJQKHPEFHTOMG-PSASIEDQSA-N -1 3 391.388 0.690 20 0 GCADHM CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@@H](C)OC2=O)c(-c2nn[n-]n2)cn1CC ZINC001571302047 946290844 /nfs/dbraw/zinc/29/08/44/946290844.db2.gz MRJQKHPEFHTOMG-PSASIEDQSA-N -1 3 391.388 0.690 20 0 GCADHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001571302075 946292738 /nfs/dbraw/zinc/29/27/38/946292738.db2.gz NCNQUAPJXQPYDW-MPKXVKKWSA-N -1 3 391.407 0.005 20 0 GCADHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1CNC(=O)[C@H]1COCCO1 ZINC001571302075 946292741 /nfs/dbraw/zinc/29/27/41/946292741.db2.gz NCNQUAPJXQPYDW-MPKXVKKWSA-N -1 3 391.407 0.005 20 0 GCADHM O=C(N[C@H]1CC12CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CC2)[C@H]1CC1(F)F ZINC001571302142 946294417 /nfs/dbraw/zinc/29/44/17/946294417.db2.gz POFFKWVZANYDEJ-SKDRFNHKSA-N -1 3 391.382 0.961 20 0 GCADHM O=C(N[C@H]1CC12CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2)[C@H]1CC1(F)F ZINC001571302142 946294429 /nfs/dbraw/zinc/29/44/29/946294429.db2.gz POFFKWVZANYDEJ-SKDRFNHKSA-N -1 3 391.382 0.961 20 0 GCADHM O=C([C@H]1CC1(F)F)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nc1)CCO2 ZINC001571302439 946302038 /nfs/dbraw/zinc/30/20/38/946302038.db2.gz XWOIPRPPXRPXTO-MLGOLLRUSA-N -1 3 391.382 0.725 20 0 GCADHM O=C([C@H]1CC1(F)F)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nc1)CCO2 ZINC001571302439 946302047 /nfs/dbraw/zinc/30/20/47/946302047.db2.gz XWOIPRPPXRPXTO-MLGOLLRUSA-N -1 3 391.382 0.725 20 0 GCADHM O=C(N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)C1(F)CCOCC1 ZINC001571302415 946302834 /nfs/dbraw/zinc/30/28/34/946302834.db2.gz XEDZHDGXJHGLLH-CYBMUJFWSA-N -1 3 391.407 0.420 20 0 GCADHM O=C(N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)C1(F)CCOCC1 ZINC001571302415 946302845 /nfs/dbraw/zinc/30/28/45/946302845.db2.gz XEDZHDGXJHGLLH-CYBMUJFWSA-N -1 3 391.407 0.420 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCC1(F)F)c1cnon1 ZINC001571302407 946302975 /nfs/dbraw/zinc/30/29/75/946302975.db2.gz WUGJHAMXTPAWSA-VIFPVBQESA-N -1 3 391.342 0.536 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCC1(F)F)c1cnon1 ZINC001571302407 946302982 /nfs/dbraw/zinc/30/29/82/946302982.db2.gz WUGJHAMXTPAWSA-VIFPVBQESA-N -1 3 391.342 0.536 20 0 GCADHM COc1ncc(NC(=O)C(C)(C)NC(=O)COC(C)(C)C)cc1-c1nnn[n-]1 ZINC001571302761 946312122 /nfs/dbraw/zinc/31/21/22/946312122.db2.gz BNEZTPOAKIALHZ-UHFFFAOYSA-N -1 3 391.432 0.919 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)[C@@H]1CCn2ccnc2C1 ZINC001571302698 946313067 /nfs/dbraw/zinc/31/30/67/946313067.db2.gz GCVTUCQPQJVYSV-CVGURMSBSA-N -1 3 391.439 0.272 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)[C@@H]1CCn2ccnc2C1 ZINC001571302698 946313077 /nfs/dbraw/zinc/31/30/77/946313077.db2.gz GCVTUCQPQJVYSV-CVGURMSBSA-N -1 3 391.439 0.272 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCNS(=O)(=O)c1ccccc1 ZINC000823111140 946316362 /nfs/dbraw/zinc/31/63/62/946316362.db2.gz BIYGOKHGFVELPW-UHFFFAOYSA-N -1 3 387.421 0.931 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCNS(=O)(=O)c1ccccc1 ZINC000823111140 946316372 /nfs/dbraw/zinc/31/63/72/946316372.db2.gz BIYGOKHGFVELPW-UHFFFAOYSA-N -1 3 387.421 0.931 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)[C@H]1CCc2n[nH]cc2C1 ZINC001571302862 946319316 /nfs/dbraw/zinc/31/93/16/946319316.db2.gz 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ZINC001573508158 946453170 /nfs/dbraw/zinc/45/31/70/946453170.db2.gz YMXNMIJDGFWVPV-GFCCVEGCSA-N -1 3 390.423 0.212 20 0 GCADHM COc1cc(C)cnc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571309793 946453234 /nfs/dbraw/zinc/45/32/34/946453234.db2.gz LAVAIVSIOQCDOG-VIKVFOODSA-N -1 3 392.423 0.838 20 0 GCADHM COc1cc(C)cnc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571309793 946453240 /nfs/dbraw/zinc/45/32/40/946453240.db2.gz LAVAIVSIOQCDOG-VIKVFOODSA-N -1 3 392.423 0.838 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1 ZINC001571309732 946453998 /nfs/dbraw/zinc/45/39/98/946453998.db2.gz IYZPUKZYNZEYMK-RDBSUJKOSA-N -1 3 392.423 0.500 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1 ZINC001571309732 946454001 /nfs/dbraw/zinc/45/40/01/946454001.db2.gz IYZPUKZYNZEYMK-RDBSUJKOSA-N -1 3 392.423 0.500 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573508319 946454639 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0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512006 946493515 /nfs/dbraw/zinc/49/35/15/946493515.db2.gz DDKWQSLNAOKLDB-JQWIXIFHSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512006 946493521 /nfs/dbraw/zinc/49/35/21/946493521.db2.gz DDKWQSLNAOKLDB-JQWIXIFHSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573512269 946497397 /nfs/dbraw/zinc/49/73/97/946497397.db2.gz XBHOLJZYERONQI-RISCZKNCSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573512269 946497405 /nfs/dbraw/zinc/49/74/05/946497405.db2.gz XBHOLJZYERONQI-RISCZKNCSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)NC1CC2(C1)CC(Nc1snc(C)c1-c1nnn[n-]1)C2 ZINC001573512530 946500429 /nfs/dbraw/zinc/50/04/29/946500429.db2.gz GRBNFDAIWMYSTK-UHFFFAOYSA-N -1 3 390.473 0.607 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512572 946501382 /nfs/dbraw/zinc/50/13/82/946501382.db2.gz YIGZPPNOEFPISX-WCQYABFASA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512572 946501392 /nfs/dbraw/zinc/50/13/92/946501392.db2.gz YIGZPPNOEFPISX-WCQYABFASA-N -1 3 389.435 0.863 20 0 GCADHM O=C(CCc1ccncc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571312825 946502418 /nfs/dbraw/zinc/50/24/18/946502418.db2.gz KXRSJCSEGJCRDM-HALDLXJZSA-N -1 3 392.423 0.409 20 0 GCADHM O=C(CCc1ccncc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571312825 946502427 /nfs/dbraw/zinc/50/24/27/946502427.db2.gz KXRSJCSEGJCRDM-HALDLXJZSA-N -1 3 392.423 0.409 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)CCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573512671 946503648 /nfs/dbraw/zinc/50/36/48/946503648.db2.gz ZILZJPPYWUYFJP-SECBINFHSA-N -1 3 380.840 0.748 20 0 GCADHM 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ZINC001573514104 946518668 /nfs/dbraw/zinc/51/86/68/946518668.db2.gz SABJNUMPLCXZPY-RRFJBIMHSA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573514104 946518677 /nfs/dbraw/zinc/51/86/77/946518677.db2.gz SABJNUMPLCXZPY-RRFJBIMHSA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@@]1(CNc2ncccc2-c2nnn[n-]2)CCCC[C@@H]1C ZINC001573514166 946521125 /nfs/dbraw/zinc/52/11/25/946521125.db2.gz UBINVMBVUHXWLJ-KPZWWZAWSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@@]1(CNc2ncccc2-c2nn[n-]n2)CCCC[C@@H]1C ZINC001573514166 946521131 /nfs/dbraw/zinc/52/11/31/946521131.db2.gz UBINVMBVUHXWLJ-KPZWWZAWSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)[C@@H]1C ZINC001573515331 946542529 /nfs/dbraw/zinc/54/25/29/946542529.db2.gz KZVCIPZAFOOLLJ-KOLCDFICSA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)NCC(=O)NCC1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573516982 946563595 /nfs/dbraw/zinc/56/35/95/946563595.db2.gz BMCCZNUVHKXKDG-UHFFFAOYSA-N -1 3 392.851 0.384 20 0 GCADHM CC(=O)NCC(=O)NCC1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573516982 946563606 /nfs/dbraw/zinc/56/36/06/946563606.db2.gz BMCCZNUVHKXKDG-UHFFFAOYSA-N -1 3 392.851 0.384 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573516997 946563628 /nfs/dbraw/zinc/56/36/28/946563628.db2.gz BYONMRDQFVZEFB-AWEZNQCLSA-N -1 3 386.460 0.571 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573516997 946563634 /nfs/dbraw/zinc/56/36/34/946563634.db2.gz BYONMRDQFVZEFB-AWEZNQCLSA-N -1 3 386.460 0.571 20 0 GCADHM C[C@@H](C(=O)NC(=O)NC1CC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824041027 946563850 /nfs/dbraw/zinc/56/38/50/946563850.db2.gz XCWAHJCTABVTTF-XHDPSFHLSA-N -1 3 385.428 0.617 20 0 GCADHM C[C@@H](C(=O)NC(=O)NC1CC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824041027 946563859 /nfs/dbraw/zinc/56/38/59/946563859.db2.gz XCWAHJCTABVTTF-XHDPSFHLSA-N -1 3 385.428 0.617 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824045233 946567052 /nfs/dbraw/zinc/56/70/52/946567052.db2.gz JSEOZKISQJDTCQ-NWDGAFQWSA-N -1 3 393.473 0.159 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824045233 946567071 /nfs/dbraw/zinc/56/70/71/946567071.db2.gz JSEOZKISQJDTCQ-NWDGAFQWSA-N -1 3 393.473 0.159 20 0 GCADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573517340 946569370 /nfs/dbraw/zinc/56/93/70/946569370.db2.gz HRVIIUZCYKVPNF-GOSISDBHSA-N -1 3 389.435 0.865 20 0 GCADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573517340 946569374 /nfs/dbraw/zinc/56/93/74/946569374.db2.gz HRVIIUZCYKVPNF-GOSISDBHSA-N -1 3 389.435 0.865 20 0 GCADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573517423 946571453 /nfs/dbraw/zinc/57/14/53/946571453.db2.gz JOKKIGDUUFERBX-QGZVFWFLSA-N -1 3 390.423 0.260 20 0 GCADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573517423 946571462 /nfs/dbraw/zinc/57/14/62/946571462.db2.gz JOKKIGDUUFERBX-QGZVFWFLSA-N -1 3 390.423 0.260 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)c(C)n2)CCCCC1 ZINC001573518356 946590879 /nfs/dbraw/zinc/59/08/79/946590879.db2.gz ZZTTZOPNXBGNSJ-UHFFFAOYSA-N -1 3 386.460 0.937 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)c(C)n2)CCCCC1 ZINC001573518356 946590883 /nfs/dbraw/zinc/59/08/83/946590883.db2.gz ZZTTZOPNXBGNSJ-UHFFFAOYSA-N -1 3 386.460 0.937 20 0 GCADHM CNC(=O)N[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001571317278 946603477 /nfs/dbraw/zinc/60/34/77/946603477.db2.gz AKCCNBBUUGYZTG-ONGXEEELSA-N -1 3 392.851 0.850 20 0 GCADHM CNC(=O)N[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001571317278 946603485 /nfs/dbraw/zinc/60/34/85/946603485.db2.gz AKCCNBBUUGYZTG-ONGXEEELSA-N -1 3 392.851 0.850 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573520973 946604437 /nfs/dbraw/zinc/60/44/37/946604437.db2.gz QNRLNUARKMBKJS-ZYHUDNBSSA-N -1 3 375.408 0.330 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573520973 946604443 /nfs/dbraw/zinc/60/44/43/946604443.db2.gz QNRLNUARKMBKJS-ZYHUDNBSSA-N -1 3 375.408 0.330 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573521551 946609207 /nfs/dbraw/zinc/60/92/07/946609207.db2.gz ZALDCJPGTCMJSM-CMPLNLGQSA-N -1 3 392.851 0.748 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573521551 946609212 /nfs/dbraw/zinc/60/92/12/946609212.db2.gz ZALDCJPGTCMJSM-CMPLNLGQSA-N -1 3 392.851 0.748 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(C(=O)c2ncc(Cl)s2)CC1 ZINC001571317378 946609440 /nfs/dbraw/zinc/60/94/40/946609440.db2.gz FLVMTADUGFQJCT-UHFFFAOYSA-N -1 3 392.832 0.903 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(C(=O)c2ncc(Cl)s2)CC1 ZINC001571317378 946609446 /nfs/dbraw/zinc/60/94/46/946609446.db2.gz FLVMTADUGFQJCT-UHFFFAOYSA-N -1 3 392.832 0.903 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573521702 946610655 /nfs/dbraw/zinc/61/06/55/946610655.db2.gz BJZUSZIGAUPCJT-RTXFEEFZSA-N -1 3 375.458 0.286 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573521703 946610961 /nfs/dbraw/zinc/61/09/61/946610961.db2.gz BNUSUVNPOOFHMI-HAQNSBGRSA-N -1 3 376.396 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573521703 946610968 /nfs/dbraw/zinc/61/09/68/946610968.db2.gz BNUSUVNPOOFHMI-HAQNSBGRSA-N -1 3 376.396 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573521815 946613774 /nfs/dbraw/zinc/61/37/74/946613774.db2.gz ICKDROMWDIJWQU-CHWSQXEVSA-N -1 3 376.396 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573521815 946613782 /nfs/dbraw/zinc/61/37/82/946613782.db2.gz ICKDROMWDIJWQU-CHWSQXEVSA-N -1 3 376.396 0.376 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC001571317580 946614113 /nfs/dbraw/zinc/61/41/13/946614113.db2.gz NIVUJZNNZWMTHS-MRVWCRGKSA-N -1 3 392.485 0.670 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC001571317580 946614120 /nfs/dbraw/zinc/61/41/20/946614120.db2.gz NIVUJZNNZWMTHS-MRVWCRGKSA-N -1 3 392.485 0.670 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2nc(Cl)cs2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571317659 946616701 /nfs/dbraw/zinc/61/67/01/946616701.db2.gz QAANSLFAUPNLDX-LJGSYFOKSA-N -1 3 392.832 0.996 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2nc(Cl)cs2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571317659 946616707 /nfs/dbraw/zinc/61/67/07/946616707.db2.gz QAANSLFAUPNLDX-LJGSYFOKSA-N -1 3 392.832 0.996 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001573521963 946618439 /nfs/dbraw/zinc/61/84/39/946618439.db2.gz RFIQMVRXHNRLED-NVXWUHKLSA-N -1 3 392.423 0.592 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001573521963 946618445 /nfs/dbraw/zinc/61/84/45/946618445.db2.gz RFIQMVRXHNRLED-NVXWUHKLSA-N -1 3 392.423 0.592 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)c1csnn1 ZINC001571317783 946621643 /nfs/dbraw/zinc/62/16/43/946621643.db2.gz VSQKVSYMBABBJH-KOLCDFICSA-N -1 3 392.470 0.145 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(C(=O)c2scnc2Cl)CC1 ZINC001571317931 946624410 /nfs/dbraw/zinc/62/44/10/946624410.db2.gz ZACAGQPICLLJAJ-UHFFFAOYSA-N -1 3 392.832 0.903 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(C(=O)c2scnc2Cl)CC1 ZINC001571317931 946624414 /nfs/dbraw/zinc/62/44/14/946624414.db2.gz ZACAGQPICLLJAJ-UHFFFAOYSA-N -1 3 392.832 0.903 20 0 GCADHM CC(C)C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1nc(-c2nc[nH]n2)no1 ZINC000824236216 946627695 /nfs/dbraw/zinc/62/76/95/946627695.db2.gz NCVZNRIMWHBOKV-JTQLQIEISA-N -1 3 383.376 0.880 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573522763 946630688 /nfs/dbraw/zinc/63/06/88/946630688.db2.gz JWZUESDTUHRWFX-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573522763 946630694 /nfs/dbraw/zinc/63/06/94/946630694.db2.gz JWZUESDTUHRWFX-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573523088 946632661 /nfs/dbraw/zinc/63/26/61/946632661.db2.gz NXAVWXIAQTZQBB-UWVGGRQHSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573523088 946632669 /nfs/dbraw/zinc/63/26/69/946632669.db2.gz NXAVWXIAQTZQBB-UWVGGRQHSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573523191 946633987 /nfs/dbraw/zinc/63/39/87/946633987.db2.gz PPNRHPWASSZGOB-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573523191 946633994 /nfs/dbraw/zinc/63/39/94/946633994.db2.gz PPNRHPWASSZGOB-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)CCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001573523098 946634508 /nfs/dbraw/zinc/63/45/08/946634508.db2.gz NYPWNEINKIBOPT-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)CCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001573523098 946634514 /nfs/dbraw/zinc/63/45/14/946634514.db2.gz NYPWNEINKIBOPT-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM Brc1nn(Cc2ncc(-c3nnn[n-]3)cn2)nc1Br ZINC001573279207 946635640 /nfs/dbraw/zinc/63/56/40/946635640.db2.gz DFYBMDAZTNYFAJ-UHFFFAOYSA-N -1 3 386.999 0.822 20 0 GCADHM Brc1nn(Cc2ncc(-c3nn[n-]n3)cn2)nc1Br ZINC001573279207 946635649 /nfs/dbraw/zinc/63/56/49/946635649.db2.gz DFYBMDAZTNYFAJ-UHFFFAOYSA-N -1 3 386.999 0.822 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573523632 946636737 /nfs/dbraw/zinc/63/67/37/946636737.db2.gz SZPLFOYNGPZZLD-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573523632 946636744 /nfs/dbraw/zinc/63/67/44/946636744.db2.gz SZPLFOYNGPZZLD-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573523604 946637401 /nfs/dbraw/zinc/63/74/01/946637401.db2.gz SORQIDQIKPYQIQ-CYBMUJFWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573523604 946637405 /nfs/dbraw/zinc/63/74/05/946637405.db2.gz SORQIDQIKPYQIQ-CYBMUJFWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573527555 946642809 /nfs/dbraw/zinc/64/28/09/946642809.db2.gz CNPMCPCKGGFYCO-BETUJISGSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573527555 946642813 /nfs/dbraw/zinc/64/28/13/946642813.db2.gz CNPMCPCKGGFYCO-BETUJISGSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573527547 946643701 /nfs/dbraw/zinc/64/37/01/946643701.db2.gz CFPVCMNJCQVLMB-MQMHXKEQSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573527547 946643704 /nfs/dbraw/zinc/64/37/04/946643704.db2.gz CFPVCMNJCQVLMB-MQMHXKEQSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573527714 946645812 /nfs/dbraw/zinc/64/58/12/946645812.db2.gz FQPRCBKKMNRHBB-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573527714 946645819 /nfs/dbraw/zinc/64/58/19/946645819.db2.gz FQPRCBKKMNRHBB-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573527697 946646513 /nfs/dbraw/zinc/64/65/13/946646513.db2.gz DVKGQQLISUWRPG-AWEZNQCLSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573527697 946646528 /nfs/dbraw/zinc/64/65/28/946646528.db2.gz DVKGQQLISUWRPG-AWEZNQCLSA-N -1 3 388.476 0.977 20 0 GCADHM CC(C)N1CCO[C@H](C(N)=NOCCOc2ccccc2-c2nnn[n-]2)C1 ZINC000824300771 946649606 /nfs/dbraw/zinc/64/96/06/946649606.db2.gz KNWNGJZWBZBHMX-HNNXBMFYSA-N -1 3 375.433 0.853 20 0 GCADHM CC(C)N1CCO[C@H](C(N)=NOCCOc2ccccc2-c2nn[n-]n2)C1 ZINC000824300771 946649615 /nfs/dbraw/zinc/64/96/15/946649615.db2.gz KNWNGJZWBZBHMX-HNNXBMFYSA-N -1 3 375.433 0.853 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573527968 946652574 /nfs/dbraw/zinc/65/25/74/946652574.db2.gz NOXMRFTVHOONRM-SECBINFHSA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573527968 946652580 /nfs/dbraw/zinc/65/25/80/946652580.db2.gz NOXMRFTVHOONRM-SECBINFHSA-N -1 3 378.412 0.480 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(=O)N1CCOCC1 ZINC000824319429 946656283 /nfs/dbraw/zinc/65/62/83/946656283.db2.gz PVDHKFSJLKSLEF-UHFFFAOYSA-N -1 3 389.416 0.634 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(=O)N1CCOCC1 ZINC000824319429 946656290 /nfs/dbraw/zinc/65/62/90/946656290.db2.gz PVDHKFSJLKSLEF-UHFFFAOYSA-N -1 3 389.416 0.634 20 0 GCADHM CC(C)c1nnc(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC000824364422 946670522 /nfs/dbraw/zinc/67/05/22/946670522.db2.gz FRSMJFWVGIBTBD-UHFFFAOYSA-N -1 3 384.400 0.592 20 0 GCADHM CC(C)c1nnc(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC000824364422 946670528 /nfs/dbraw/zinc/67/05/28/946670528.db2.gz FRSMJFWVGIBTBD-UHFFFAOYSA-N -1 3 384.400 0.592 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1C(F)(F)F ZINC001573529468 946675898 /nfs/dbraw/zinc/67/58/98/946675898.db2.gz MMAZYVHKYTXONN-UWVGGRQHSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C(F)(F)F ZINC001573529468 946675903 /nfs/dbraw/zinc/67/59/03/946675903.db2.gz MMAZYVHKYTXONN-UWVGGRQHSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NCC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573529482 946676245 /nfs/dbraw/zinc/67/62/45/946676245.db2.gz MVYLXSWEPZWWSW-GFCCVEGCSA-N -1 3 379.446 0.189 20 0 GCADHM CC(=O)NCC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573529482 946676252 /nfs/dbraw/zinc/67/62/52/946676252.db2.gz MVYLXSWEPZWWSW-GFCCVEGCSA-N -1 3 379.446 0.189 20 0 GCADHM C[C@@H](CN(C)Cc1ccccc1)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824413290 946696024 /nfs/dbraw/zinc/69/60/24/946696024.db2.gz KIXDRCYWXBZPBA-LBPRGKRZSA-N -1 3 384.444 0.197 20 0 GCADHM CC(CO)(CO)NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824435873 946709320 /nfs/dbraw/zinc/70/93/20/946709320.db2.gz PUKYKMAVDRQJRS-UHFFFAOYSA-N -1 3 392.807 0.571 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573535342 946721814 /nfs/dbraw/zinc/72/18/14/946721814.db2.gz CSLQTVQUUXPEJU-IVMMDQJWSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573535342 946721821 /nfs/dbraw/zinc/72/18/21/946721821.db2.gz CSLQTVQUUXPEJU-IVMMDQJWSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCCN(C)c1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573535828 946725180 /nfs/dbraw/zinc/72/51/80/946725180.db2.gz KCNMUMQUGBVHKP-MRXNPFEDSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCCN(C)c1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573535828 946725186 /nfs/dbraw/zinc/72/51/86/946725186.db2.gz KCNMUMQUGBVHKP-MRXNPFEDSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573535792 946725535 /nfs/dbraw/zinc/72/55/35/946725535.db2.gz JDPAIBZBIXEZBD-MEDUHNTESA-N -1 3 388.476 0.895 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573535792 946725546 /nfs/dbraw/zinc/72/55/46/946725546.db2.gz JDPAIBZBIXEZBD-MEDUHNTESA-N -1 3 388.476 0.895 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)[C@@H]1C)C(C)C ZINC001573536427 946734434 /nfs/dbraw/zinc/73/44/34/946734434.db2.gz XBNWGDVQFWQJCO-BYCMXARLSA-N -1 3 386.460 0.506 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)[C@@H]1C)C(C)C ZINC001573536427 946734435 /nfs/dbraw/zinc/73/44/35/946734435.db2.gz XBNWGDVQFWQJCO-BYCMXARLSA-N -1 3 386.460 0.506 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1)C(C)C ZINC001573536419 946734660 /nfs/dbraw/zinc/73/46/60/946734660.db2.gz WSSFQUFFSICHBG-GDBMZVCRSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1)C(C)C ZINC001573536419 946734667 /nfs/dbraw/zinc/73/46/67/946734667.db2.gz WSSFQUFFSICHBG-GDBMZVCRSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1)C(C)C ZINC001573536567 946737376 /nfs/dbraw/zinc/73/73/76/946737376.db2.gz XTDOPUJUPYCMKE-HZPDHXFCSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1)C(C)C ZINC001573536567 946737383 /nfs/dbraw/zinc/73/73/83/946737383.db2.gz XTDOPUJUPYCMKE-HZPDHXFCSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573536634 946737794 /nfs/dbraw/zinc/73/77/94/946737794.db2.gz ZTMWOTKUWOGOII-GOEBONIOSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573536634 946737805 /nfs/dbraw/zinc/73/78/05/946737805.db2.gz ZTMWOTKUWOGOII-GOEBONIOSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)C ZINC001573536676 946739595 /nfs/dbraw/zinc/73/95/95/946739595.db2.gz AJMUFHDEKYIAOT-OAHLLOKOSA-N -1 3 391.501 0.732 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536758 946740985 /nfs/dbraw/zinc/74/09/85/946740985.db2.gz CYMUAVXUYJVVNS-IINYFYTJSA-N -1 3 392.439 0.820 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536758 946740998 /nfs/dbraw/zinc/74/09/98/946740998.db2.gz CYMUAVXUYJVVNS-IINYFYTJSA-N -1 3 392.439 0.820 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1)C(C)C ZINC001573536817 946741795 /nfs/dbraw/zinc/74/17/95/946741795.db2.gz FKHXIOHXZIXEDG-KCQAQPDRSA-N -1 3 384.444 0.212 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1)C(C)C ZINC001573536817 946741804 /nfs/dbraw/zinc/74/18/04/946741804.db2.gz FKHXIOHXZIXEDG-KCQAQPDRSA-N -1 3 384.444 0.212 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1)C(C)C ZINC001573537130 946744559 /nfs/dbraw/zinc/74/45/59/946744559.db2.gz ILMPVNVJLOULOV-CZUORRHYSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1)C(C)C ZINC001573537130 946744567 /nfs/dbraw/zinc/74/45/67/946744567.db2.gz ILMPVNVJLOULOV-CZUORRHYSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)C(C)C ZINC001573537121 946744691 /nfs/dbraw/zinc/74/46/91/946744691.db2.gz HZPRMWOBMMUJCL-CQSZACIVSA-N -1 3 390.423 0.210 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)C(C)C ZINC001573537121 946744697 /nfs/dbraw/zinc/74/46/97/946744697.db2.gz HZPRMWOBMMUJCL-CQSZACIVSA-N -1 3 390.423 0.210 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537147 946745418 /nfs/dbraw/zinc/74/54/18/946745418.db2.gz JIDPSQODIQIKCX-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537147 946745423 /nfs/dbraw/zinc/74/54/23/946745423.db2.gz JIDPSQODIQIKCX-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573537364 946746959 /nfs/dbraw/zinc/74/69/59/946746959.db2.gz LDMNPCTZSMLLET-OAHLLOKOSA-N -1 3 388.476 0.625 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573537364 946746965 /nfs/dbraw/zinc/74/69/65/946746965.db2.gz LDMNPCTZSMLLET-OAHLLOKOSA-N -1 3 388.476 0.625 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573537430 946747156 /nfs/dbraw/zinc/74/71/56/946747156.db2.gz ALRQMUKANMQAGC-LZWOXQAQSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573537430 946747164 /nfs/dbraw/zinc/74/71/64/946747164.db2.gz ALRQMUKANMQAGC-LZWOXQAQSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573537710 946757332 /nfs/dbraw/zinc/75/73/32/946757332.db2.gz KBKXNFHVIYCTQJ-AWEZNQCLSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573537710 946757345 /nfs/dbraw/zinc/75/73/45/946757345.db2.gz KBKXNFHVIYCTQJ-AWEZNQCLSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1)C(C)C ZINC001573537878 946758277 /nfs/dbraw/zinc/75/82/77/946758277.db2.gz RKGOJKYKFKIPAA-WCQYABFASA-N -1 3 392.489 0.805 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C(C)C ZINC001573537984 946760123 /nfs/dbraw/zinc/76/01/23/946760123.db2.gz SGSFJCIMMPLDGC-MRXNPFEDSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C(C)C ZINC001573537984 946760134 /nfs/dbraw/zinc/76/01/34/946760134.db2.gz SGSFJCIMMPLDGC-MRXNPFEDSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001573540564 946778714 /nfs/dbraw/zinc/77/87/14/946778714.db2.gz GBRUOYAWLHMZEP-SWLSCSKDSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001573540564 946778719 /nfs/dbraw/zinc/77/87/19/946778719.db2.gz GBRUOYAWLHMZEP-SWLSCSKDSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573540622 946779260 /nfs/dbraw/zinc/77/92/60/946779260.db2.gz IFLFEVVJEUIUIP-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573540622 946779266 /nfs/dbraw/zinc/77/92/66/946779266.db2.gz IFLFEVVJEUIUIP-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)(C)C ZINC001573540648 946780419 /nfs/dbraw/zinc/78/04/19/946780419.db2.gz JAFZAERQRGSDGU-UMVBOHGHSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)(C)C ZINC001573540648 946780430 /nfs/dbraw/zinc/78/04/30/946780430.db2.gz JAFZAERQRGSDGU-UMVBOHGHSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)(C)C ZINC001573541576 946787678 /nfs/dbraw/zinc/78/76/78/946787678.db2.gz RUGQPBPCZMSFFG-IUODEOHRSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)(C)C ZINC001573541576 946787688 /nfs/dbraw/zinc/78/76/88/946787688.db2.gz RUGQPBPCZMSFFG-IUODEOHRSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)Nc1cc(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC001573542703 946800106 /nfs/dbraw/zinc/80/01/06/946800106.db2.gz LXFRSEOGGBBQDB-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1cc(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC001573542703 946800119 /nfs/dbraw/zinc/80/01/19/946800119.db2.gz LXFRSEOGGBBQDB-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001573542901 946801660 /nfs/dbraw/zinc/80/16/60/946801660.db2.gz QOQSBBAQQAMDOX-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001573542901 946801677 /nfs/dbraw/zinc/80/16/77/946801677.db2.gz QOQSBBAQQAMDOX-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)Nc1cc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC001573542882 946802192 /nfs/dbraw/zinc/80/21/92/946802192.db2.gz PWQYSUJURDNYOM-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC001573542882 946802200 /nfs/dbraw/zinc/80/22/00/946802200.db2.gz PWQYSUJURDNYOM-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)ccn1 ZINC001573543352 946807232 /nfs/dbraw/zinc/80/72/32/946807232.db2.gz XQUOJCARZZYFAM-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)ccn1 ZINC001573543352 946807246 /nfs/dbraw/zinc/80/72/46/946807246.db2.gz XQUOJCARZZYFAM-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM CC(=O)Nc1ccc(CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)cc1 ZINC001573547000 946823280 /nfs/dbraw/zinc/82/32/80/946823280.db2.gz FAYSZZUWAZOLET-UHFFFAOYSA-N -1 3 382.384 0.733 20 0 GCADHM CC(=O)Nc1ccc(CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)cc1 ZINC001573547000 946823285 /nfs/dbraw/zinc/82/32/85/946823285.db2.gz FAYSZZUWAZOLET-UHFFFAOYSA-N -1 3 382.384 0.733 20 0 GCADHM CC(=O)Nc1nc(CN2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cs1 ZINC001573548040 946845950 /nfs/dbraw/zinc/84/59/50/946845950.db2.gz BXDKWJKVKRPPQA-UHFFFAOYSA-N -1 3 387.429 0.224 20 0 GCADHM CC(=O)Nc1nc(CN2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cs1 ZINC001573548040 946845959 /nfs/dbraw/zinc/84/59/59/946845959.db2.gz BXDKWJKVKRPPQA-UHFFFAOYSA-N -1 3 387.429 0.224 20 0 GCADHM CC(=O)Nc1nc(CNC[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cs1 ZINC001573548539 946852817 /nfs/dbraw/zinc/85/28/17/946852817.db2.gz NMJBUTLDZCECFJ-MRVPVSSYSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CNC[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cs1 ZINC001573548539 946852824 /nfs/dbraw/zinc/85/28/24/946852824.db2.gz NMJBUTLDZCECFJ-MRVPVSSYSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CNC[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cs1 ZINC001573548588 946855700 /nfs/dbraw/zinc/85/57/00/946855700.db2.gz PZSSDGHHBOYKCI-MRVPVSSYSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CNC[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cs1 ZINC001573548588 946855711 /nfs/dbraw/zinc/85/57/11/946855711.db2.gz PZSSDGHHBOYKCI-MRVPVSSYSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001573548655 946856529 /nfs/dbraw/zinc/85/65/29/946856529.db2.gz QCJJBONJEUSVHG-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001573548655 946856541 /nfs/dbraw/zinc/85/65/41/946856541.db2.gz QCJJBONJEUSVHG-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1nc(C(=O)NCCN(C)c2ncccc2-c2nnn[n-]2)cs1 ZINC001573548979 946861718 /nfs/dbraw/zinc/86/17/18/946861718.db2.gz ZMYYEPQHWYWGGT-UHFFFAOYSA-N -1 3 387.429 0.543 20 0 GCADHM CC(=O)Nc1nc(C(=O)NCCN(C)c2ncccc2-c2nn[n-]n2)cs1 ZINC001573548979 946861730 /nfs/dbraw/zinc/86/17/30/946861730.db2.gz ZMYYEPQHWYWGGT-UHFFFAOYSA-N -1 3 387.429 0.543 20 0 GCADHM CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1scnc1C(=O)[O-] ZINC000326399060 971289916 /nfs/dbraw/zinc/28/99/16/971289916.db2.gz IAYPMGBOSKWYOS-UHFFFAOYSA-N -1 3 376.504 0.488 20 0 GCADHM CC(=O)OC[C@H](CO)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001573552575 946876591 /nfs/dbraw/zinc/87/65/91/946876591.db2.gz RHVLGKUBAMSQEI-QMMMGPOBSA-N -1 3 384.190 0.283 20 0 GCADHM CC(=O)OC[C@H](CO)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001573552575 946876599 /nfs/dbraw/zinc/87/65/99/946876599.db2.gz RHVLGKUBAMSQEI-QMMMGPOBSA-N -1 3 384.190 0.283 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCOCC1 ZINC000824640282 946879360 /nfs/dbraw/zinc/87/93/60/946879360.db2.gz FNQZOALUHOVQAO-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCOCC1 ZINC000824640282 946879378 /nfs/dbraw/zinc/87/93/78/946879378.db2.gz FNQZOALUHOVQAO-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM CC(C)[C@@H]1CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640392 946879456 /nfs/dbraw/zinc/87/94/56/946879456.db2.gz HPJDHECEMNIBND-RISCZKNCSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)[C@@H]1CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640392 946879472 /nfs/dbraw/zinc/87/94/72/946879472.db2.gz HPJDHECEMNIBND-RISCZKNCSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824677720 946893404 /nfs/dbraw/zinc/89/34/04/946893404.db2.gz HBEYQYSTNRBBDU-CYBMUJFWSA-N -1 3 396.455 0.292 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677720 946893415 /nfs/dbraw/zinc/89/34/15/946893415.db2.gz HBEYQYSTNRBBDU-CYBMUJFWSA-N -1 3 396.455 0.292 20 0 GCADHM C[C@H](O)C[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000824689326 946895897 /nfs/dbraw/zinc/89/58/97/946895897.db2.gz KQOQXMSCDOSZMP-YUMQZZPRSA-N -1 3 384.343 0.682 20 0 GCADHM C[C@H](O)C[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000824689326 946895902 /nfs/dbraw/zinc/89/59/02/946895902.db2.gz KQOQXMSCDOSZMP-YUMQZZPRSA-N -1 3 384.343 0.682 20 0 GCADHM C[C@H](C[C@H](C)O)NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824689239 946896619 /nfs/dbraw/zinc/89/66/19/946896619.db2.gz JZAWSUCONVCOPX-XUJVJEKNSA-N -1 3 387.444 0.821 20 0 GCADHM C[C@H](C[C@H](C)O)NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824689239 946896629 /nfs/dbraw/zinc/89/66/29/946896629.db2.gz JZAWSUCONVCOPX-XUJVJEKNSA-N -1 3 387.444 0.821 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)O1 ZINC000824811787 946939688 /nfs/dbraw/zinc/93/96/88/946939688.db2.gz BZTSIDBIWUCKKV-CYBMUJFWSA-N -1 3 388.432 0.245 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)O1 ZINC000824811787 946939701 /nfs/dbraw/zinc/93/97/01/946939701.db2.gz BZTSIDBIWUCKKV-CYBMUJFWSA-N -1 3 388.432 0.245 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)O1 ZINC000824818002 946942177 /nfs/dbraw/zinc/94/21/77/946942177.db2.gz QQICIXTVWZFEEM-ZDUSSCGKSA-N -1 3 388.432 0.245 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)O1 ZINC000824818002 946942190 /nfs/dbraw/zinc/94/21/90/946942190.db2.gz QQICIXTVWZFEEM-ZDUSSCGKSA-N -1 3 388.432 0.245 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)C2)nn1 ZINC001573558848 946943286 /nfs/dbraw/zinc/94/32/86/946943286.db2.gz QPLLYDBIMDRBPT-UHFFFAOYSA-N -1 3 388.413 0.215 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)C2)nn1 ZINC001573558848 946943294 /nfs/dbraw/zinc/94/32/94/946943294.db2.gz QPLLYDBIMDRBPT-UHFFFAOYSA-N -1 3 388.413 0.215 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)O1 ZINC000824819254 946944416 /nfs/dbraw/zinc/94/44/16/946944416.db2.gz ZQDLEMMVQSUQCR-GFCCVEGCSA-N -1 3 388.432 0.245 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)O1 ZINC000824819254 946944428 /nfs/dbraw/zinc/94/44/28/946944428.db2.gz ZQDLEMMVQSUQCR-GFCCVEGCSA-N -1 3 388.432 0.245 20 0 GCADHM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825119899 947086514 /nfs/dbraw/zinc/08/65/14/947086514.db2.gz GAAHWHMGOYMTJZ-ZDUSSCGKSA-N -1 3 383.412 0.877 20 0 GCADHM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825119899 947086523 /nfs/dbraw/zinc/08/65/23/947086523.db2.gz GAAHWHMGOYMTJZ-ZDUSSCGKSA-N -1 3 383.412 0.877 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000825201137 947115937 /nfs/dbraw/zinc/11/59/37/947115937.db2.gz DTLJSIISYMGXDM-JSGCOSHPSA-N -1 3 375.433 0.275 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000825201137 947115942 /nfs/dbraw/zinc/11/59/42/947115942.db2.gz DTLJSIISYMGXDM-JSGCOSHPSA-N -1 3 375.433 0.275 20 0 GCADHM CCN(C(=O)CN1C(=O)C(=O)N(C)C1=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372300 947166437 /nfs/dbraw/zinc/16/64/37/947166437.db2.gz VFXWMDNCDAHZCZ-UHFFFAOYSA-N -1 3 391.775 0.294 20 0 GCADHM CCN(C(=O)CN1C(=O)C(=O)N(C)C1=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372300 947166440 /nfs/dbraw/zinc/16/64/40/947166440.db2.gz VFXWMDNCDAHZCZ-UHFFFAOYSA-N -1 3 391.775 0.294 20 0 GCADHM CCOC(=O)CNC(=O)C1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000825517909 947211151 /nfs/dbraw/zinc/21/11/51/947211151.db2.gz POZOPNDXMVJPKX-UHFFFAOYSA-N -1 3 398.427 0.410 20 0 GCADHM CCOC(=O)CNC(=O)C1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000825517909 947211161 /nfs/dbraw/zinc/21/11/61/947211161.db2.gz POZOPNDXMVJPKX-UHFFFAOYSA-N -1 3 398.427 0.410 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)NC(=O)Nc2ccccc2)c1-c1nnn[n-]1 ZINC000825564625 947220961 /nfs/dbraw/zinc/22/09/61/947220961.db2.gz BGACHILFVMLAFB-UHFFFAOYSA-N -1 3 384.356 0.588 20 0 GCADHM CCOC(=O)c1cnn(Cc2cc(=O)n3cccc(C)c3n2)c1-c1nnn[n-]1 ZINC000825570410 947232205 /nfs/dbraw/zinc/23/22/05/947232205.db2.gz KIVFFNLDNDJSCE-UHFFFAOYSA-N -1 3 380.368 0.605 20 0 GCADHM CCOC(=O)c1cnn(CCN2C(=O)c3ccccc3C2=O)c1-c1nnn[n-]1 ZINC000825571360 947236433 /nfs/dbraw/zinc/23/64/33/947236433.db2.gz ZXQORDVFTQGHQZ-UHFFFAOYSA-N -1 3 381.352 0.536 20 0 GCADHM C=C/C(C)=C\CC(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573315688 947259125 /nfs/dbraw/zinc/25/91/25/947259125.db2.gz DNMGDPQGZJTRGG-TURBDRAGSA-N -1 3 387.419 0.981 20 0 GCADHM C=C/C(C)=C\CC(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573315688 947259134 /nfs/dbraw/zinc/25/91/34/947259134.db2.gz DNMGDPQGZJTRGG-TURBDRAGSA-N -1 3 387.419 0.981 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCCCCO ZINC000825621482 947262690 /nfs/dbraw/zinc/26/26/90/947262690.db2.gz UUTLUBSFEOEKPT-UHFFFAOYSA-N -1 3 376.417 0.873 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCCCCO ZINC000825621482 947262698 /nfs/dbraw/zinc/26/26/98/947262698.db2.gz UUTLUBSFEOEKPT-UHFFFAOYSA-N -1 3 376.417 0.873 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573585866 947269665 /nfs/dbraw/zinc/26/96/65/947269665.db2.gz IZSXHVPVWIJCIN-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573585866 947269679 /nfs/dbraw/zinc/26/96/79/947269679.db2.gz IZSXHVPVWIJCIN-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H](C)c1ccnn1C ZINC001573586522 947287801 /nfs/dbraw/zinc/28/78/01/947287801.db2.gz PZICMNIXUYUCNE-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H](C)c1ccnn1C ZINC001573586522 947287810 /nfs/dbraw/zinc/28/78/10/947287810.db2.gz PZICMNIXUYUCNE-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM CC(C)N(C(=O)[C@H](C)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573586569 947292086 /nfs/dbraw/zinc/29/20/86/947292086.db2.gz QZABKCIXMQOTDP-ZDUSSCGKSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573586792 947294459 /nfs/dbraw/zinc/29/44/59/947294459.db2.gz TWOUWVNJRAGPHQ-GFCCVEGCSA-N -1 3 376.465 0.454 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573586792 947294462 /nfs/dbraw/zinc/29/44/62/947294462.db2.gz TWOUWVNJRAGPHQ-GFCCVEGCSA-N -1 3 376.465 0.454 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573586742 947294806 /nfs/dbraw/zinc/29/48/06/947294806.db2.gz SCVJOVJKZPHCQP-GFCCVEGCSA-N -1 3 376.465 0.454 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573587194 947302156 /nfs/dbraw/zinc/30/21/56/947302156.db2.gz XQXFCXRLZVAXSL-GFCCVEGCSA-N -1 3 376.465 0.454 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H](C)C1CCOCC1 ZINC001573587254 947303225 /nfs/dbraw/zinc/30/32/25/947303225.db2.gz YPTGZGQBDRQHRR-VXGBXAGGSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H](C)C1CCOCC1 ZINC001573587254 947303240 /nfs/dbraw/zinc/30/32/40/947303240.db2.gz YPTGZGQBDRQHRR-VXGBXAGGSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)C(C)(F)F ZINC001573591505 947312214 /nfs/dbraw/zinc/31/22/14/947312214.db2.gz BYUNOVFEMFPRGX-JQWIXIFHSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)(F)F ZINC001573591505 947312229 /nfs/dbraw/zinc/31/22/29/947312229.db2.gz BYUNOVFEMFPRGX-JQWIXIFHSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001573591515 947314101 /nfs/dbraw/zinc/31/41/01/947314101.db2.gz CCXGDNMEMCEDPB-ZFWWWQNUSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001573591515 947314119 /nfs/dbraw/zinc/31/41/19/947314119.db2.gz CCXGDNMEMCEDPB-ZFWWWQNUSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1)c1ccco1 ZINC001573591828 947320560 /nfs/dbraw/zinc/32/05/60/947320560.db2.gz GHHDFVMMKRXLKK-CHWSQXEVSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1)c1ccco1 ZINC001573591828 947320577 /nfs/dbraw/zinc/32/05/77/947320577.db2.gz GHHDFVMMKRXLKK-CHWSQXEVSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573592061 947326512 /nfs/dbraw/zinc/32/65/12/947326512.db2.gz IJLNQWPGYXKLNO-JSGCOSHPSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573592061 947326528 /nfs/dbraw/zinc/32/65/28/947326528.db2.gz IJLNQWPGYXKLNO-JSGCOSHPSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573592060 947327294 /nfs/dbraw/zinc/32/72/94/947327294.db2.gz IJLNQWPGYXKLNO-GXTWGEPZSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573592060 947327306 /nfs/dbraw/zinc/32/73/06/947327306.db2.gz IJLNQWPGYXKLNO-GXTWGEPZSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573592280 947333484 /nfs/dbraw/zinc/33/34/84/947333484.db2.gz CAZGIWGUILDMIW-RISCZKNCSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573592280 947333503 /nfs/dbraw/zinc/33/35/03/947333503.db2.gz CAZGIWGUILDMIW-RISCZKNCSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573592515 947338844 /nfs/dbraw/zinc/33/88/44/947338844.db2.gz DDJRKYQOISBNNZ-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573592515 947338859 /nfs/dbraw/zinc/33/88/59/947338859.db2.gz DDJRKYQOISBNNZ-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC000825845775 947343603 /nfs/dbraw/zinc/34/36/03/947343603.db2.gz MFFCXRVLWKUEMD-AWEZNQCLSA-N -1 3 387.444 0.505 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC000825845775 947343616 /nfs/dbraw/zinc/34/36/16/947343616.db2.gz MFFCXRVLWKUEMD-AWEZNQCLSA-N -1 3 387.444 0.505 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC000825845778 947344757 /nfs/dbraw/zinc/34/47/57/947344757.db2.gz MFFCXRVLWKUEMD-CQSZACIVSA-N -1 3 387.444 0.505 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC000825845778 947344771 /nfs/dbraw/zinc/34/47/71/947344771.db2.gz MFFCXRVLWKUEMD-CQSZACIVSA-N -1 3 387.444 0.505 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001573592800 947348124 /nfs/dbraw/zinc/34/81/24/947348124.db2.gz NCSPNQQTXYXOLG-UONOGXRCSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001573592800 947348142 /nfs/dbraw/zinc/34/81/42/947348142.db2.gz NCSPNQQTXYXOLG-UONOGXRCSA-N -1 3 384.444 0.580 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccccc2-c2nnn[n-]2)n(C)c1 ZINC000825875376 947351879 /nfs/dbraw/zinc/35/18/79/947351879.db2.gz NBNADJOFEFOUSG-UHFFFAOYSA-N -1 3 390.425 0.813 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccccc2-c2nn[n-]n2)n(C)c1 ZINC000825875376 947351890 /nfs/dbraw/zinc/35/18/90/947351890.db2.gz NBNADJOFEFOUSG-UHFFFAOYSA-N -1 3 390.425 0.813 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000825875292 947353302 /nfs/dbraw/zinc/35/33/02/947353302.db2.gz ISPJEAMJDWZMIF-UHFFFAOYSA-N -1 3 376.398 0.802 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000825875292 947353315 /nfs/dbraw/zinc/35/33/15/947353315.db2.gz ISPJEAMJDWZMIF-UHFFFAOYSA-N -1 3 376.398 0.802 20 0 GCADHM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573593013 947357228 /nfs/dbraw/zinc/35/72/28/947357228.db2.gz PHYNRDWYGWICCT-LBPRGKRZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573593013 947357244 /nfs/dbraw/zinc/35/72/44/947357244.db2.gz PHYNRDWYGWICCT-LBPRGKRZSA-N -1 3 382.432 0.542 20 0 GCADHM CN(C)c1nccc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000825887749 947357899 /nfs/dbraw/zinc/35/78/99/947357899.db2.gz KFWGQLCVFGOCMK-UHFFFAOYSA-N -1 3 385.363 0.117 20 0 GCADHM CN(C)c1nccc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000825887749 947357913 /nfs/dbraw/zinc/35/79/13/947357913.db2.gz KFWGQLCVFGOCMK-UHFFFAOYSA-N -1 3 385.363 0.117 20 0 GCADHM CN(CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)S(=O)(=O)c1cccnc1 ZINC000825892324 947361595 /nfs/dbraw/zinc/36/15/95/947361595.db2.gz JZRRGUMQGWSFGC-UHFFFAOYSA-N -1 3 399.436 0.472 20 0 GCADHM CN(CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)S(=O)(=O)c1cccnc1 ZINC000825892324 947361609 /nfs/dbraw/zinc/36/16/09/947361609.db2.gz JZRRGUMQGWSFGC-UHFFFAOYSA-N -1 3 399.436 0.472 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000825898061 947361739 /nfs/dbraw/zinc/36/17/39/947361739.db2.gz XLIXOQBPZXSAEK-UHFFFAOYSA-N -1 3 396.477 0.138 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000825898061 947361757 /nfs/dbraw/zinc/36/17/57/947361757.db2.gz XLIXOQBPZXSAEK-UHFFFAOYSA-N -1 3 396.477 0.138 20 0 GCADHM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)n1cncn1 ZINC001573593163 947365749 /nfs/dbraw/zinc/36/57/49/947365749.db2.gz QVSCTTGDAUGYPQ-GFCCVEGCSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)n1cncn1 ZINC001573593163 947365760 /nfs/dbraw/zinc/36/57/60/947365760.db2.gz QVSCTTGDAUGYPQ-GFCCVEGCSA-N -1 3 382.432 0.542 20 0 GCADHM CN(CCS(C)(=O)=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825946061 947382261 /nfs/dbraw/zinc/38/22/61/947382261.db2.gz HBPUZPOMOVXASX-CQSZACIVSA-N -1 3 378.458 0.339 20 0 GCADHM CN(CCS(C)(=O)=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825946061 947382275 /nfs/dbraw/zinc/38/22/75/947382275.db2.gz HBPUZPOMOVXASX-CQSZACIVSA-N -1 3 378.458 0.339 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000825971750 947391095 /nfs/dbraw/zinc/39/10/95/947391095.db2.gz NLHDWVKERNNYBF-UHFFFAOYSA-N -1 3 380.412 0.686 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000825971750 947391107 /nfs/dbraw/zinc/39/11/07/947391107.db2.gz NLHDWVKERNNYBF-UHFFFAOYSA-N -1 3 380.412 0.686 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573594447 947396335 /nfs/dbraw/zinc/39/63/35/947396335.db2.gz ZCTXLUYLWZYALC-LLVKDONJSA-N -1 3 385.407 0.501 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573594447 947396347 /nfs/dbraw/zinc/39/63/47/947396347.db2.gz ZCTXLUYLWZYALC-LLVKDONJSA-N -1 3 385.407 0.501 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1cccnc1 ZINC001573594661 947402426 /nfs/dbraw/zinc/40/24/26/947402426.db2.gz CADQVBIRVQSHEQ-SWLSCSKDSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC001573594661 947402433 /nfs/dbraw/zinc/40/24/33/947402433.db2.gz CADQVBIRVQSHEQ-SWLSCSKDSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573594636 947403260 /nfs/dbraw/zinc/40/32/60/947403260.db2.gz BOJIOWHPFAAKIR-JSGCOSHPSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573594636 947403275 /nfs/dbraw/zinc/40/32/75/947403275.db2.gz BOJIOWHPFAAKIR-JSGCOSHPSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573594710 947405408 /nfs/dbraw/zinc/40/54/08/947405408.db2.gz CNFYTNKMDHFZIV-WPRPVWTQSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573594710 947405411 /nfs/dbraw/zinc/40/54/11/947405411.db2.gz CNFYTNKMDHFZIV-WPRPVWTQSA-N -1 3 385.375 0.035 20 0 GCADHM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2nc3ccccn3c2-c2nnn[n-]2)C1=O ZINC000826018439 947406683 /nfs/dbraw/zinc/40/66/83/947406683.db2.gz ZCWDEUIAFFZOLC-DYZYQPBXSA-N -1 3 381.400 0.647 20 0 GCADHM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2nc3ccccn3c2-c2nn[n-]n2)C1=O ZINC000826018439 947406688 /nfs/dbraw/zinc/40/66/88/947406688.db2.gz ZCWDEUIAFFZOLC-DYZYQPBXSA-N -1 3 381.400 0.647 20 0 GCADHM CNC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826068218 947422443 /nfs/dbraw/zinc/42/24/43/947422443.db2.gz PGBMIBLSHZYRBB-MRVPVSSYSA-N -1 3 389.807 0.962 20 0 GCADHM CNC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826068218 947422446 /nfs/dbraw/zinc/42/24/46/947422446.db2.gz PGBMIBLSHZYRBB-MRVPVSSYSA-N -1 3 389.807 0.962 20 0 GCADHM CNC(=O)NCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826067847 947422792 /nfs/dbraw/zinc/42/27/92/947422792.db2.gz MBVDSYQQXZUJLJ-UHFFFAOYSA-N -1 3 375.780 0.573 20 0 GCADHM CNC(=O)NCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826067847 947422796 /nfs/dbraw/zinc/42/27/96/947422796.db2.gz MBVDSYQQXZUJLJ-UHFFFAOYSA-N -1 3 375.780 0.573 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)C(=O)N(C)C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573595661 947424324 /nfs/dbraw/zinc/42/43/24/947424324.db2.gz ZLTKWJXKPDVPPJ-GFCCVEGCSA-N -1 3 376.465 0.454 20 0 GCADHM CNS(=O)(=O)CC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826091206 947427082 /nfs/dbraw/zinc/42/70/82/947427082.db2.gz YZZXIFVAIYMFIU-UHFFFAOYSA-N -1 3 396.820 0.194 20 0 GCADHM COC(=O)[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1cccc(O)c1 ZINC000826104303 947430341 /nfs/dbraw/zinc/43/03/41/947430341.db2.gz UHCFNBUSJWCAKU-MRXNPFEDSA-N -1 3 383.364 0.982 20 0 GCADHM COC(=O)[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1cccc(O)c1 ZINC000826104303 947430345 /nfs/dbraw/zinc/43/03/45/947430345.db2.gz UHCFNBUSJWCAKU-MRXNPFEDSA-N -1 3 383.364 0.982 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(F)F ZINC001573597350 947436950 /nfs/dbraw/zinc/43/69/50/947436950.db2.gz NWTPUIIOOWQTRA-IUCAKERBSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(F)F ZINC001573597350 947436967 /nfs/dbraw/zinc/43/69/67/947436967.db2.gz NWTPUIIOOWQTRA-IUCAKERBSA-N -1 3 385.375 0.035 20 0 GCADHM COC(=O)C1(O)CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000826129129 947442296 /nfs/dbraw/zinc/44/22/96/947442296.db2.gz KAKYMUFTVOHSNC-UHFFFAOYSA-N -1 3 380.430 0.257 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001573598318 947443086 /nfs/dbraw/zinc/44/30/86/947443086.db2.gz QBBQKZONHZXHKQ-RISCZKNCSA-N -1 3 385.432 0.030 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001573598318 947443095 /nfs/dbraw/zinc/44/30/95/947443095.db2.gz QBBQKZONHZXHKQ-RISCZKNCSA-N -1 3 385.432 0.030 20 0 GCADHM COC(=O)C1(O)CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000826129391 947443631 /nfs/dbraw/zinc/44/36/31/947443631.db2.gz QHDKKNYAJICCND-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM COC(=O)C1(O)CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000826129391 947443640 /nfs/dbraw/zinc/44/36/40/947443640.db2.gz QHDKKNYAJICCND-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000826137950 947449418 /nfs/dbraw/zinc/44/94/18/947449418.db2.gz AIHYKNUDZGCHRZ-UHFFFAOYSA-N -1 3 395.851 0.535 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)c1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000826137950 947449424 /nfs/dbraw/zinc/44/94/24/947449424.db2.gz AIHYKNUDZGCHRZ-UHFFFAOYSA-N -1 3 395.851 0.535 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001573599255 947452657 /nfs/dbraw/zinc/45/26/57/947452657.db2.gz WVOZWJLHGUNYSM-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001573599255 947452666 /nfs/dbraw/zinc/45/26/66/947452666.db2.gz WVOZWJLHGUNYSM-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573602698 947471191 /nfs/dbraw/zinc/47/11/91/947471191.db2.gz HEEJLSXLPKFUGA-GFCCVEGCSA-N -1 3 380.474 0.190 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573602699 947471771 /nfs/dbraw/zinc/47/17/71/947471771.db2.gz HEEJLSXLPKFUGA-LBPRGKRZSA-N -1 3 380.474 0.190 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)[C@H]1CCCO1 ZINC001573602933 947473541 /nfs/dbraw/zinc/47/35/41/947473541.db2.gz BSTXJFDMOQPLIR-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)[C@H]1CCCO1 ZINC001573602933 947473549 /nfs/dbraw/zinc/47/35/49/947473549.db2.gz BSTXJFDMOQPLIR-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM COCC[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(N)=O ZINC000826154201 947486242 /nfs/dbraw/zinc/48/62/42/947486242.db2.gz KILGARODCDCRTG-CQSZACIVSA-N -1 3 397.395 0.674 20 0 GCADHM COCC[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(N)=O ZINC000826154201 947486253 /nfs/dbraw/zinc/48/62/53/947486253.db2.gz KILGARODCDCRTG-CQSZACIVSA-N -1 3 397.395 0.674 20 0 GCADHM COCC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C(N)=O ZINC000826154394 947486426 /nfs/dbraw/zinc/48/64/26/947486426.db2.gz OJRNTVHPFAGRTL-GFCCVEGCSA-N -1 3 377.405 0.666 20 0 GCADHM COCC[C@@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C(N)=O ZINC000826154394 947486434 /nfs/dbraw/zinc/48/64/34/947486434.db2.gz OJRNTVHPFAGRTL-GFCCVEGCSA-N -1 3 377.405 0.666 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001573604369 947508703 /nfs/dbraw/zinc/50/87/03/947508703.db2.gz SQRHIXZPSJWVBN-LLVKDONJSA-N -1 3 385.432 0.262 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001573604369 947508714 /nfs/dbraw/zinc/50/87/14/947508714.db2.gz SQRHIXZPSJWVBN-LLVKDONJSA-N -1 3 385.432 0.262 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccc1 ZINC001573604987 947521983 /nfs/dbraw/zinc/52/19/83/947521983.db2.gz RNXJSDIQSIRDBV-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccc1 ZINC001573604987 947521995 /nfs/dbraw/zinc/52/19/95/947521995.db2.gz RNXJSDIQSIRDBV-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001573605092 947524526 /nfs/dbraw/zinc/52/45/26/947524526.db2.gz YJNCPLSOPYJWJT-BXUZGUMPSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001573605092 947524534 /nfs/dbraw/zinc/52/45/34/947524534.db2.gz YJNCPLSOPYJWJT-BXUZGUMPSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccn1 ZINC001573605359 947529137 /nfs/dbraw/zinc/52/91/37/947529137.db2.gz WXZMRGWXSLCQST-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccn1 ZINC001573605359 947529150 /nfs/dbraw/zinc/52/91/50/947529150.db2.gz WXZMRGWXSLCQST-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCc1nnc(C(C)C)n1C ZINC000826174733 947543129 /nfs/dbraw/zinc/54/31/29/947543129.db2.gz HMDKJWYMHQDNHG-UHFFFAOYSA-N -1 3 386.416 0.822 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCc1nnc(C(C)C)n1C ZINC000826174733 947543144 /nfs/dbraw/zinc/54/31/44/947543144.db2.gz HMDKJWYMHQDNHG-UHFFFAOYSA-N -1 3 386.416 0.822 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573607458 947549524 /nfs/dbraw/zinc/54/95/24/947549524.db2.gz NNRSQKICSVTYQC-LLVKDONJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573607458 947549533 /nfs/dbraw/zinc/54/95/33/947549533.db2.gz NNRSQKICSVTYQC-LLVKDONJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)c1cccnc1 ZINC001573607857 947555143 /nfs/dbraw/zinc/55/51/43/947555143.db2.gz SUOPXBGMENQTBL-CYBMUJFWSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)c1cccnc1 ZINC001573607857 947555150 /nfs/dbraw/zinc/55/51/50/947555150.db2.gz SUOPXBGMENQTBL-CYBMUJFWSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2)C1CC1 ZINC001573613446 947562951 /nfs/dbraw/zinc/56/29/51/947562951.db2.gz AJDBICJTWQWLMF-GWCFXTLKSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2)C1CC1 ZINC001573613446 947562953 /nfs/dbraw/zinc/56/29/53/947562953.db2.gz AJDBICJTWQWLMF-GWCFXTLKSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573613817 947571710 /nfs/dbraw/zinc/57/17/10/947571710.db2.gz AASCMNWVMFJQTI-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573613817 947571720 /nfs/dbraw/zinc/57/17/20/947571720.db2.gz AASCMNWVMFJQTI-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM COc1ccc(C(=O)CCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826187142 947572101 /nfs/dbraw/zinc/57/21/01/947572101.db2.gz BWDCANCIGASKNU-UHFFFAOYSA-N -1 3 385.384 0.860 20 0 GCADHM COc1ccc(C(=O)CCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826187142 947572108 /nfs/dbraw/zinc/57/21/08/947572108.db2.gz BWDCANCIGASKNU-UHFFFAOYSA-N -1 3 385.384 0.860 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)(C)C1)n1cncn1 ZINC001573614030 947575963 /nfs/dbraw/zinc/57/59/63/947575963.db2.gz KHSHKERRMGBHTD-SMDDNHRTSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C1)n1cncn1 ZINC001573614030 947575971 /nfs/dbraw/zinc/57/59/71/947575971.db2.gz KHSHKERRMGBHTD-SMDDNHRTSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573614209 947581246 /nfs/dbraw/zinc/58/12/46/947581246.db2.gz DCSWQIRRHBFNFT-IUCAKERBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573614209 947581255 /nfs/dbraw/zinc/58/12/55/947581255.db2.gz DCSWQIRRHBFNFT-IUCAKERBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573614850 947592927 /nfs/dbraw/zinc/59/29/27/947592927.db2.gz AHXMTRZKBOACCA-ZYHUDNBSSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573614850 947592942 /nfs/dbraw/zinc/59/29/42/947592942.db2.gz AHXMTRZKBOACCA-ZYHUDNBSSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573614895 947594988 /nfs/dbraw/zinc/59/49/88/947594988.db2.gz BLDPQFLXCPQFGA-NEPJUHHUSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573614895 947594991 /nfs/dbraw/zinc/59/49/91/947594991.db2.gz BLDPQFLXCPQFGA-NEPJUHHUSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573615121 947599447 /nfs/dbraw/zinc/59/94/47/947599447.db2.gz RIOOOGZAJMRLSZ-SJCJKPOMSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573615121 947599455 /nfs/dbraw/zinc/59/94/55/947599455.db2.gz RIOOOGZAJMRLSZ-SJCJKPOMSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573616418 947620463 /nfs/dbraw/zinc/62/04/63/947620463.db2.gz IMEFISQFGAHZEN-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573616418 947620471 /nfs/dbraw/zinc/62/04/71/947620471.db2.gz IMEFISQFGAHZEN-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573616421 947621108 /nfs/dbraw/zinc/62/11/08/947621108.db2.gz IMEFISQFGAHZEN-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573616421 947621115 /nfs/dbraw/zinc/62/11/15/947621115.db2.gz IMEFISQFGAHZEN-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM COc1cccc(C(=O)NCC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000826213584 947622901 /nfs/dbraw/zinc/62/29/01/947622901.db2.gz CQEZMKLQJISQLK-UHFFFAOYSA-N -1 3 396.411 0.228 20 0 GCADHM COc1cccc(C(=O)NCC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000826213584 947622909 /nfs/dbraw/zinc/62/29/09/947622909.db2.gz CQEZMKLQJISQLK-UHFFFAOYSA-N -1 3 396.411 0.228 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCO2)C1CC1 ZINC001573616822 947629550 /nfs/dbraw/zinc/62/95/50/947629550.db2.gz YNWWMCAWHCQJDX-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2)C1CC1 ZINC001573616822 947629558 /nfs/dbraw/zinc/62/95/58/947629558.db2.gz YNWWMCAWHCQJDX-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC001573355060 947637987 /nfs/dbraw/zinc/63/79/87/947637987.db2.gz LOEDHNDWSAGLNW-AWEZNQCLSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC001573355060 947637994 /nfs/dbraw/zinc/63/79/94/947637994.db2.gz LOEDHNDWSAGLNW-AWEZNQCLSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573617705 947640723 /nfs/dbraw/zinc/64/07/23/947640723.db2.gz MPKRLNQXMPDTAU-QWRGUYRKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573617705 947640727 /nfs/dbraw/zinc/64/07/27/947640727.db2.gz MPKRLNQXMPDTAU-QWRGUYRKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573617934 947644053 /nfs/dbraw/zinc/64/40/53/947644053.db2.gz RBGJROHWHXUODN-IUCAKERBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573617934 947644056 /nfs/dbraw/zinc/64/40/56/947644056.db2.gz RBGJROHWHXUODN-IUCAKERBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573618764 947654726 /nfs/dbraw/zinc/65/47/26/947654726.db2.gz RYFTUJXYCOOUBP-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573618764 947654734 /nfs/dbraw/zinc/65/47/34/947654734.db2.gz RYFTUJXYCOOUBP-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573618762 947655406 /nfs/dbraw/zinc/65/54/06/947655406.db2.gz RYFTUJXYCOOUBP-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573618762 947655416 /nfs/dbraw/zinc/65/54/16/947655416.db2.gz RYFTUJXYCOOUBP-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573619177 947660412 /nfs/dbraw/zinc/66/04/12/947660412.db2.gz UPLMYBMTCGMVNB-GXTWGEPZSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573619177 947660416 /nfs/dbraw/zinc/66/04/16/947660416.db2.gz UPLMYBMTCGMVNB-GXTWGEPZSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N1CCC(CNc2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573619275 947661780 /nfs/dbraw/zinc/66/17/80/947661780.db2.gz VIBGFUMVXSULDS-LBPRGKRZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC(CNc2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573619275 947661790 /nfs/dbraw/zinc/66/17/90/947661790.db2.gz VIBGFUMVXSULDS-LBPRGKRZSA-N -1 3 382.432 0.765 20 0 GCADHM CS[C@H]1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1N(C)C ZINC000826227463 947666512 /nfs/dbraw/zinc/66/65/12/947666512.db2.gz RGUDSEUUORODBW-GJZGRUSLSA-N -1 3 396.542 0.618 20 0 GCADHM C[C@H]1CN(CCCOc2cccc(-c3nnn[n-]3)c2)CCN1S(C)(=O)=O ZINC000826232531 947680260 /nfs/dbraw/zinc/68/02/60/947680260.db2.gz UJSWXGLHOPJCDD-ZDUSSCGKSA-N -1 3 380.474 0.601 20 0 GCADHM C[C@H]1CN(CCCOc2cccc(-c3nn[n-]n3)c2)CCN1S(C)(=O)=O ZINC000826232531 947680266 /nfs/dbraw/zinc/68/02/66/947680266.db2.gz UJSWXGLHOPJCDD-ZDUSSCGKSA-N -1 3 380.474 0.601 20 0 GCADHM C[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCN1S(C)(=O)=O ZINC000826232370 947680701 /nfs/dbraw/zinc/68/07/01/947680701.db2.gz GIHLJVOCUCVDMP-JTQLQIEISA-N -1 3 397.436 0.181 20 0 GCADHM C[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCN1S(C)(=O)=O ZINC000826232370 947680707 /nfs/dbraw/zinc/68/07/07/947680707.db2.gz GIHLJVOCUCVDMP-JTQLQIEISA-N -1 3 397.436 0.181 20 0 GCADHM C[C@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCN1S(C)(=O)=O ZINC000826232584 947683210 /nfs/dbraw/zinc/68/32/10/947683210.db2.gz YZQRFGLQXDOQHY-QMMMGPOBSA-N -1 3 386.384 0.251 20 0 GCADHM C[C@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCN1S(C)(=O)=O ZINC000826232584 947683216 /nfs/dbraw/zinc/68/32/16/947683216.db2.gz YZQRFGLQXDOQHY-QMMMGPOBSA-N -1 3 386.384 0.251 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573623475 947687776 /nfs/dbraw/zinc/68/77/76/947687776.db2.gz GEWUYSGIOQXCJN-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573623475 947687782 /nfs/dbraw/zinc/68/77/82/947687782.db2.gz GEWUYSGIOQXCJN-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccnn1C ZINC001573623562 947688520 /nfs/dbraw/zinc/68/85/20/947688520.db2.gz GPAXBONPDUFAAA-MNOVXSKESA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccnn1C ZINC001573623562 947688527 /nfs/dbraw/zinc/68/85/27/947688527.db2.gz GPAXBONPDUFAAA-MNOVXSKESA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccnn1C ZINC001573623566 947688766 /nfs/dbraw/zinc/68/87/66/947688766.db2.gz GPAXBONPDUFAAA-WDEREUQCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccnn1C ZINC001573623566 947688773 /nfs/dbraw/zinc/68/87/73/947688773.db2.gz GPAXBONPDUFAAA-WDEREUQCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncnc1 ZINC001573623944 947691433 /nfs/dbraw/zinc/69/14/33/947691433.db2.gz JAVBWQHEQHMOLE-PWSUYJOCSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncnc1 ZINC001573623944 947691440 /nfs/dbraw/zinc/69/14/40/947691440.db2.gz JAVBWQHEQHMOLE-PWSUYJOCSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncnc1 ZINC001573623940 947692324 /nfs/dbraw/zinc/69/23/24/947692324.db2.gz JAVBWQHEQHMOLE-JQWIXIFHSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncnc1 ZINC001573623940 947692332 /nfs/dbraw/zinc/69/23/32/947692332.db2.gz JAVBWQHEQHMOLE-JQWIXIFHSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573624023 947694046 /nfs/dbraw/zinc/69/40/46/947694046.db2.gz JIMFNCADFBQDLS-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573624023 947694055 /nfs/dbraw/zinc/69/40/55/947694055.db2.gz JIMFNCADFBQDLS-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1)n1cncn1 ZINC001573625237 947698960 /nfs/dbraw/zinc/69/89/60/947698960.db2.gz OPKFISVKPAMJPY-JTQLQIEISA-N -1 3 386.395 0.656 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1)n1cncn1 ZINC001573625237 947698965 /nfs/dbraw/zinc/69/89/65/947698965.db2.gz OPKFISVKPAMJPY-JTQLQIEISA-N -1 3 386.395 0.656 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573625203 947700056 /nfs/dbraw/zinc/70/00/56/947700056.db2.gz NUUCBQZUDIOUCI-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573625203 947700062 /nfs/dbraw/zinc/70/00/62/947700062.db2.gz NUUCBQZUDIOUCI-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573626360 947710173 /nfs/dbraw/zinc/71/01/73/947710173.db2.gz TUUBGFYUVXGRTL-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573626360 947710179 /nfs/dbraw/zinc/71/01/79/947710179.db2.gz TUUBGFYUVXGRTL-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCC3)cccc1-c1nnn[n-]1 ZINC000826240854 947714067 /nfs/dbraw/zinc/71/40/67/947714067.db2.gz JBEMPAIBCAFGDA-JTQLQIEISA-N -1 3 381.400 0.529 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCC3)cccc1-c1nn[n-]n1 ZINC000826240854 947714084 /nfs/dbraw/zinc/71/40/84/947714084.db2.gz JBEMPAIBCAFGDA-JTQLQIEISA-N -1 3 381.400 0.529 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573626934 947715390 /nfs/dbraw/zinc/71/53/90/947715390.db2.gz XMEFZBGGHFTSRP-ADLMAVQZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573626934 947715403 /nfs/dbraw/zinc/71/54/03/947715403.db2.gz XMEFZBGGHFTSRP-ADLMAVQZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573627441 947723848 /nfs/dbraw/zinc/72/38/48/947723848.db2.gz BMBNLTIBPBQOHM-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573627441 947723855 /nfs/dbraw/zinc/72/38/55/947723855.db2.gz BMBNLTIBPBQOHM-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573627471 947724687 /nfs/dbraw/zinc/72/46/87/947724687.db2.gz BWILXRSDKHRORV-LBPRGKRZSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573627471 947724697 /nfs/dbraw/zinc/72/46/97/947724697.db2.gz BWILXRSDKHRORV-LBPRGKRZSA-N -1 3 386.460 0.352 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000826250685 947726068 /nfs/dbraw/zinc/72/60/68/947726068.db2.gz MUHBXDUMCKUATA-UHFFFAOYSA-N -1 3 375.414 0.669 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000826250685 947726073 /nfs/dbraw/zinc/72/60/73/947726073.db2.gz MUHBXDUMCKUATA-UHFFFAOYSA-N -1 3 375.414 0.669 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573628036 947743106 /nfs/dbraw/zinc/74/31/06/947743106.db2.gz HORUJIBMQOCYIN-ZDUSSCGKSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573628036 947743115 /nfs/dbraw/zinc/74/31/15/947743115.db2.gz HORUJIBMQOCYIN-ZDUSSCGKSA-N -1 3 386.460 0.354 20 0 GCADHM Cc1cc(C(=O)N[C@H](CO)C2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258690 947746573 /nfs/dbraw/zinc/74/65/73/947746573.db2.gz SLUJWNAVEGQRIX-QGZVFWFLSA-N -1 3 397.439 0.878 20 0 GCADHM Cc1cc(C(=O)N[C@H](CO)C2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258690 947746582 /nfs/dbraw/zinc/74/65/82/947746582.db2.gz SLUJWNAVEGQRIX-QGZVFWFLSA-N -1 3 397.439 0.878 20 0 GCADHM Cc1cc(C(=O)NCCCn2ccnn2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258965 947746825 /nfs/dbraw/zinc/74/68/25/947746825.db2.gz CNDSSVIBQPXPCX-UHFFFAOYSA-N -1 3 378.400 0.772 20 0 GCADHM Cc1cc(C(=O)NCCCn2ccnn2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258965 947746832 /nfs/dbraw/zinc/74/68/32/947746832.db2.gz CNDSSVIBQPXPCX-UHFFFAOYSA-N -1 3 378.400 0.772 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573628162 947748696 /nfs/dbraw/zinc/74/86/96/947748696.db2.gz FUJGQOKCWYAXJA-OCCSQVGLSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573628162 947748705 /nfs/dbraw/zinc/74/87/05/947748705.db2.gz FUJGQOKCWYAXJA-OCCSQVGLSA-N -1 3 382.432 0.542 20 0 GCADHM Cc1cc(C(=O)NCCNc2ncccn2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259407 947749207 /nfs/dbraw/zinc/74/92/07/947749207.db2.gz QYVKEKKWDOHEKO-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM Cc1cc(C(=O)NCCNc2ncccn2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259407 947749212 /nfs/dbraw/zinc/74/92/12/947749212.db2.gz QYVKEKKWDOHEKO-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573367260 947757155 /nfs/dbraw/zinc/75/71/55/947757155.db2.gz BFVSFMCCTDRRHQ-FZMZJTMJSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573367260 947757159 /nfs/dbraw/zinc/75/71/59/947757159.db2.gz BFVSFMCCTDRRHQ-FZMZJTMJSA-N -1 3 387.444 0.778 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573628571 947760548 /nfs/dbraw/zinc/76/05/48/947760548.db2.gz ITDCVVYCMIQQCH-JSGCOSHPSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573628571 947760554 /nfs/dbraw/zinc/76/05/54/947760554.db2.gz ITDCVVYCMIQQCH-JSGCOSHPSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573628575 947760610 /nfs/dbraw/zinc/76/06/10/947760610.db2.gz ITDCVVYCMIQQCH-TZMCWYRMSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573628575 947760612 /nfs/dbraw/zinc/76/06/12/947760612.db2.gz ITDCVVYCMIQQCH-TZMCWYRMSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCCCCC1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573628700 947761468 /nfs/dbraw/zinc/76/14/68/947761468.db2.gz NIMOHRWKHJHQQG-LBPRGKRZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCCCCC1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573628700 947761477 /nfs/dbraw/zinc/76/14/77/947761477.db2.gz NIMOHRWKHJHQQG-LBPRGKRZSA-N -1 3 386.460 0.400 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573367708 947763501 /nfs/dbraw/zinc/76/35/01/947763501.db2.gz GOUHNXMHRHAZSM-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573367708 947763512 /nfs/dbraw/zinc/76/35/12/947763512.db2.gz GOUHNXMHRHAZSM-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001573367932 947765143 /nfs/dbraw/zinc/76/51/43/947765143.db2.gz JAMMMOVHAFUDBQ-DGCLKSJQSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001573367932 947765147 /nfs/dbraw/zinc/76/51/47/947765147.db2.gz JAMMMOVHAFUDBQ-DGCLKSJQSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573368283 947766534 /nfs/dbraw/zinc/76/65/34/947766534.db2.gz LTCUGFZYNSJJLE-GOSISDBHSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573368283 947766535 /nfs/dbraw/zinc/76/65/35/947766535.db2.gz LTCUGFZYNSJJLE-GOSISDBHSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573628913 947766811 /nfs/dbraw/zinc/76/68/11/947766811.db2.gz PCJCLOKVLMBEAT-QWRGUYRKSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573628913 947766819 /nfs/dbraw/zinc/76/68/19/947766819.db2.gz PCJCLOKVLMBEAT-QWRGUYRKSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573628909 947767827 /nfs/dbraw/zinc/76/78/27/947767827.db2.gz PCJCLOKVLMBEAT-GHMZBOCLSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573628909 947767830 /nfs/dbraw/zinc/76/78/30/947767830.db2.gz PCJCLOKVLMBEAT-GHMZBOCLSA-N -1 3 379.446 0.098 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573369655 947775931 /nfs/dbraw/zinc/77/59/31/947775931.db2.gz WCTSEIIIWGMERD-CQSZACIVSA-N -1 3 375.433 0.277 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573369655 947775939 /nfs/dbraw/zinc/77/59/39/947775939.db2.gz WCTSEIIIWGMERD-CQSZACIVSA-N -1 3 375.433 0.277 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573369945 947780283 /nfs/dbraw/zinc/78/02/83/947780283.db2.gz ZYNZEHKMCXXAAS-CYBMUJFWSA-N -1 3 375.433 0.277 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573369945 947780286 /nfs/dbraw/zinc/78/02/86/947780286.db2.gz ZYNZEHKMCXXAAS-CYBMUJFWSA-N -1 3 375.433 0.277 20 0 GCADHM C[C@H](C(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573631490 947802256 /nfs/dbraw/zinc/80/22/56/947802256.db2.gz VMXHKTVNRKJJND-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573631490 947802267 /nfs/dbraw/zinc/80/22/67/947802267.db2.gz VMXHKTVNRKJJND-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573374069 947803968 /nfs/dbraw/zinc/80/39/68/947803968.db2.gz HLSZFCXUNVDION-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573374069 947803975 /nfs/dbraw/zinc/80/39/75/947803975.db2.gz HLSZFCXUNVDION-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573374195 947806973 /nfs/dbraw/zinc/80/69/73/947806973.db2.gz NKCMQJASMASOMJ-GOSISDBHSA-N -1 3 387.444 0.786 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573374195 947806983 /nfs/dbraw/zinc/80/69/83/947806983.db2.gz NKCMQJASMASOMJ-GOSISDBHSA-N -1 3 387.444 0.786 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573632059 947808330 /nfs/dbraw/zinc/80/83/30/947808330.db2.gz YQOHUSYOFYZJTR-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573632059 947808339 /nfs/dbraw/zinc/80/83/39/947808339.db2.gz YQOHUSYOFYZJTR-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573632271 947809416 /nfs/dbraw/zinc/80/94/16/947809416.db2.gz ZNWCCBGQHYFTKI-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573632271 947809427 /nfs/dbraw/zinc/80/94/27/947809427.db2.gz ZNWCCBGQHYFTKI-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573374693 947811448 /nfs/dbraw/zinc/81/14/48/947811448.db2.gz LENATCBJUXCEID-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573374693 947811453 /nfs/dbraw/zinc/81/14/53/947811453.db2.gz LENATCBJUXCEID-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573374677 947811564 /nfs/dbraw/zinc/81/15/64/947811564.db2.gz PDCLHIXMRNWEEF-BXUZGUMPSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573374677 947811570 /nfs/dbraw/zinc/81/15/70/947811570.db2.gz PDCLHIXMRNWEEF-BXUZGUMPSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001573374997 947813480 /nfs/dbraw/zinc/81/34/80/947813480.db2.gz LPJBDRJDDGPOEI-KGLIPLIRSA-N -1 3 392.485 0.739 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001573374997 947813487 /nfs/dbraw/zinc/81/34/87/947813487.db2.gz LPJBDRJDDGPOEI-KGLIPLIRSA-N -1 3 392.485 0.739 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573375805 947825698 /nfs/dbraw/zinc/82/56/98/947825698.db2.gz QCVADASOWVYEAV-AWEZNQCLSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573375805 947825708 /nfs/dbraw/zinc/82/57/08/947825708.db2.gz QCVADASOWVYEAV-AWEZNQCLSA-N -1 3 375.433 0.825 20 0 GCADHM C[C@@H](C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573637897 947826644 /nfs/dbraw/zinc/82/66/44/947826644.db2.gz VHEGELFPCKPBIS-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573637897 947826653 /nfs/dbraw/zinc/82/66/53/947826653.db2.gz VHEGELFPCKPBIS-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cccnc1 ZINC001573638048 947830543 /nfs/dbraw/zinc/83/05/43/947830543.db2.gz BNEIDJJCNFNBLL-GFCCVEGCSA-N -1 3 380.412 0.678 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cccnc1 ZINC001573638048 947830553 /nfs/dbraw/zinc/83/05/53/947830553.db2.gz BNEIDJJCNFNBLL-GFCCVEGCSA-N -1 3 380.412 0.678 20 0 GCADHM C[C@@H](C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638120 947833878 /nfs/dbraw/zinc/83/38/78/947833878.db2.gz FAEDGEBSYKVJIH-CJNGLKHVSA-N -1 3 383.456 0.426 20 0 GCADHM C[C@@H](C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638120 947833883 /nfs/dbraw/zinc/83/38/83/947833883.db2.gz FAEDGEBSYKVJIH-CJNGLKHVSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573376400 947835977 /nfs/dbraw/zinc/83/59/77/947835977.db2.gz ZSZPGQYCGFAANB-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573376400 947835981 /nfs/dbraw/zinc/83/59/81/947835981.db2.gz ZSZPGQYCGFAANB-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573376527 947838097 /nfs/dbraw/zinc/83/80/97/947838097.db2.gz AAIPNEIGOJODLA-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573376527 947838106 /nfs/dbraw/zinc/83/81/06/947838106.db2.gz AAIPNEIGOJODLA-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573376900 947843511 /nfs/dbraw/zinc/84/35/11/947843511.db2.gz DIKYCJFQTRYDCP-WDEREUQCSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573376900 947843519 /nfs/dbraw/zinc/84/35/19/947843519.db2.gz DIKYCJFQTRYDCP-WDEREUQCSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573376937 947845842 /nfs/dbraw/zinc/84/58/42/947845842.db2.gz FWOQIVUDEKPZLC-GHMZBOCLSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573376937 947845845 /nfs/dbraw/zinc/84/58/45/947845845.db2.gz FWOQIVUDEKPZLC-GHMZBOCLSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573377117 947846583 /nfs/dbraw/zinc/84/65/83/947846583.db2.gz IMFCPGXPVMLSOW-IPYPFGDCSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573377117 947846589 /nfs/dbraw/zinc/84/65/89/947846589.db2.gz IMFCPGXPVMLSOW-IPYPFGDCSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573377657 947850204 /nfs/dbraw/zinc/85/02/04/947850204.db2.gz PRAPQCXDTZHDAB-IUODEOHRSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573377657 947850209 /nfs/dbraw/zinc/85/02/09/947850209.db2.gz PRAPQCXDTZHDAB-IUODEOHRSA-N -1 3 385.428 0.627 20 0 GCADHM C[C@H](C(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573640114 947851214 /nfs/dbraw/zinc/85/12/14/947851214.db2.gz FVAKOUUWFUBQQZ-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573640114 947851224 /nfs/dbraw/zinc/85/12/24/947851224.db2.gz FVAKOUUWFUBQQZ-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573641067 947854316 /nfs/dbraw/zinc/85/43/16/947854316.db2.gz KQQXSMZPKBLQIL-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573641067 947854321 /nfs/dbraw/zinc/85/43/21/947854321.db2.gz KQQXSMZPKBLQIL-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573380350 947859439 /nfs/dbraw/zinc/85/94/39/947859439.db2.gz BXCVORAFVKTTMZ-KRWDZBQOSA-N -1 3 392.485 0.741 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573380350 947859444 /nfs/dbraw/zinc/85/94/44/947859444.db2.gz BXCVORAFVKTTMZ-KRWDZBQOSA-N -1 3 392.485 0.741 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573642394 947861417 /nfs/dbraw/zinc/86/14/17/947861417.db2.gz QCFNYDVEKIEDRC-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573642394 947861425 /nfs/dbraw/zinc/86/14/25/947861425.db2.gz QCFNYDVEKIEDRC-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001573380847 947865230 /nfs/dbraw/zinc/86/52/30/947865230.db2.gz IJUDWAZNIYXLKH-HUUCEWRRSA-N -1 3 387.444 0.385 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001573380847 947865236 /nfs/dbraw/zinc/86/52/36/947865236.db2.gz IJUDWAZNIYXLKH-HUUCEWRRSA-N -1 3 387.444 0.385 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573643656 947865373 /nfs/dbraw/zinc/86/53/73/947865373.db2.gz VXSYMXUDRFKPIP-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573643656 947865378 /nfs/dbraw/zinc/86/53/78/947865378.db2.gz VXSYMXUDRFKPIP-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573643712 947867201 /nfs/dbraw/zinc/86/72/01/947867201.db2.gz WNWQZZDOIZBKCG-AAEUAGOBSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573643712 947867207 /nfs/dbraw/zinc/86/72/07/947867207.db2.gz WNWQZZDOIZBKCG-AAEUAGOBSA-N -1 3 389.460 0.834 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573381648 947875903 /nfs/dbraw/zinc/87/59/03/947875903.db2.gz XEPJCFIRGNDLJW-OLZOCXBDSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573381648 947875914 /nfs/dbraw/zinc/87/59/14/947875914.db2.gz XEPJCFIRGNDLJW-OLZOCXBDSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573382031 947881977 /nfs/dbraw/zinc/88/19/77/947881977.db2.gz CMVKVQYBOPURHS-ZDUSSCGKSA-N -1 3 391.407 0.482 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573382031 947881982 /nfs/dbraw/zinc/88/19/82/947881982.db2.gz CMVKVQYBOPURHS-ZDUSSCGKSA-N -1 3 391.407 0.482 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1Cc1ccccc1-c1nnn[n-]1 ZINC001573382326 947882780 /nfs/dbraw/zinc/88/27/80/947882780.db2.gz FJCZERGLMKPCKJ-INIZCTEOSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001573382326 947882788 /nfs/dbraw/zinc/88/27/88/947882788.db2.gz FJCZERGLMKPCKJ-INIZCTEOSA-N -1 3 386.456 0.943 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573647150 947884872 /nfs/dbraw/zinc/88/48/72/947884872.db2.gz DCQLYHQFJBMDEX-VHSKPIJISA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573647150 947884876 /nfs/dbraw/zinc/88/48/76/947884876.db2.gz DCQLYHQFJBMDEX-VHSKPIJISA-N -1 3 385.350 0.970 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573382839 947887389 /nfs/dbraw/zinc/88/73/89/947887389.db2.gz LHURZQXYNWAZRE-AWEZNQCLSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573382839 947887395 /nfs/dbraw/zinc/88/73/95/947887395.db2.gz LHURZQXYNWAZRE-AWEZNQCLSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573382842 947887903 /nfs/dbraw/zinc/88/79/03/947887903.db2.gz LHURZQXYNWAZRE-CQSZACIVSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573382842 947887908 /nfs/dbraw/zinc/88/79/08/947887908.db2.gz LHURZQXYNWAZRE-CQSZACIVSA-N -1 3 387.444 0.651 20 0 GCADHM C[C@@H](C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21)n1cnc2c1ncnc2N ZINC001573647410 947891576 /nfs/dbraw/zinc/89/15/76/947891576.db2.gz KHNNZOWIRGKYNY-VIFPVBQESA-N -1 3 376.384 0.739 20 0 GCADHM C[C@@H](C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21)n1cnc2c1ncnc2N ZINC001573647410 947891585 /nfs/dbraw/zinc/89/15/85/947891585.db2.gz KHNNZOWIRGKYNY-VIFPVBQESA-N -1 3 376.384 0.739 20 0 GCADHM CC(=O)CCCC(=O)NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573383742 947895295 /nfs/dbraw/zinc/89/52/95/947895295.db2.gz VXTQQUSRBJIRTJ-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573383742 947895302 /nfs/dbraw/zinc/89/53/02/947895302.db2.gz VXTQQUSRBJIRTJ-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@H](C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)[C@H](C)S(C)(=O)=O ZINC001573648338 947906980 /nfs/dbraw/zinc/90/69/80/947906980.db2.gz YVKSZGJVOAMNRT-YUMQZZPRSA-N -1 3 384.487 0.464 20 0 GCADHM C[C@H](C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)[C@H](C)S(C)(=O)=O ZINC001573648338 947906988 /nfs/dbraw/zinc/90/69/88/947906988.db2.gz YVKSZGJVOAMNRT-YUMQZZPRSA-N -1 3 384.487 0.464 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573387817 947912569 /nfs/dbraw/zinc/91/25/69/947912569.db2.gz DRGQLQRVDHWFMU-UHFFFAOYSA-N -1 3 375.408 0.127 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573387817 947912574 /nfs/dbraw/zinc/91/25/74/947912574.db2.gz DRGQLQRVDHWFMU-UHFFFAOYSA-N -1 3 375.408 0.127 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573650962 947915274 /nfs/dbraw/zinc/91/52/74/947915274.db2.gz GQHDTPYMESAOGP-QAHWYCSRSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573650962 947915278 /nfs/dbraw/zinc/91/52/78/947915278.db2.gz GQHDTPYMESAOGP-QAHWYCSRSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@]2(C)C1)n1cncn1 ZINC001573650965 947916023 /nfs/dbraw/zinc/91/60/23/947916023.db2.gz GRRDAEKODOPFPW-JCGVRSQUSA-N -1 3 394.443 0.399 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@]2(C)C1)n1cncn1 ZINC001573650965 947916028 /nfs/dbraw/zinc/91/60/28/947916028.db2.gz GRRDAEKODOPFPW-JCGVRSQUSA-N -1 3 394.443 0.399 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573650934 947916237 /nfs/dbraw/zinc/91/62/37/947916237.db2.gz GGTGUJASKZQSHN-MUYACECFSA-N -1 3 380.412 0.444 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573650934 947916240 /nfs/dbraw/zinc/91/62/40/947916240.db2.gz GGTGUJASKZQSHN-MUYACECFSA-N -1 3 380.412 0.444 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573388604 947920894 /nfs/dbraw/zinc/92/08/94/947920894.db2.gz MNSVPTXMXDUTTE-WCQYABFASA-N -1 3 389.435 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573388604 947920900 /nfs/dbraw/zinc/92/09/00/947920900.db2.gz MNSVPTXMXDUTTE-WCQYABFASA-N -1 3 389.435 0.991 20 0 GCADHM C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573651479 947921185 /nfs/dbraw/zinc/92/11/85/947921185.db2.gz MGLSPNIVCUWVBP-MRVPVSSYSA-N -1 3 392.489 0.881 20 0 GCADHM C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573651479 947921191 /nfs/dbraw/zinc/92/11/91/947921191.db2.gz MGLSPNIVCUWVBP-MRVPVSSYSA-N -1 3 392.489 0.881 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573389065 947922342 /nfs/dbraw/zinc/92/23/42/947922342.db2.gz PLPSZOCNRZMFOO-UHFFFAOYSA-N -1 3 390.423 0.306 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573389065 947922344 /nfs/dbraw/zinc/92/23/44/947922344.db2.gz PLPSZOCNRZMFOO-UHFFFAOYSA-N -1 3 390.423 0.306 20 0 GCADHM Cc1cn2c(n1)CN(S(=O)(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CC2 ZINC000826316894 947924005 /nfs/dbraw/zinc/92/40/05/947924005.db2.gz DDYSMCWYPPFIQF-UHFFFAOYSA-N -1 3 381.368 0.854 20 0 GCADHM Cc1cn2c(n1)CN(S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000826316894 947924009 /nfs/dbraw/zinc/92/40/09/947924009.db2.gz DDYSMCWYPPFIQF-UHFFFAOYSA-N -1 3 381.368 0.854 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573389121 947924083 /nfs/dbraw/zinc/92/40/83/947924083.db2.gz QNPOGODJPMILLJ-GWCFXTLKSA-N -1 3 390.423 0.386 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573389121 947924093 /nfs/dbraw/zinc/92/40/93/947924093.db2.gz QNPOGODJPMILLJ-GWCFXTLKSA-N -1 3 390.423 0.386 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccn1 ZINC001573652107 947930388 /nfs/dbraw/zinc/93/03/88/947930388.db2.gz AZGUNOKHSSLIRY-HZMBPMFUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccn1 ZINC001573652107 947930394 /nfs/dbraw/zinc/93/03/94/947930394.db2.gz AZGUNOKHSSLIRY-HZMBPMFUSA-N -1 3 383.416 0.277 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573390702 947931688 /nfs/dbraw/zinc/93/16/88/947931688.db2.gz ALHHQDRZBMOXBW-LBPRGKRZSA-N -1 3 375.408 0.887 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573390702 947931693 /nfs/dbraw/zinc/93/16/93/947931693.db2.gz ALHHQDRZBMOXBW-LBPRGKRZSA-N -1 3 375.408 0.887 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001573390907 947934532 /nfs/dbraw/zinc/93/45/32/947934532.db2.gz DOZUKEPTDPTIKP-DZGCQCFKSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001573390907 947934540 /nfs/dbraw/zinc/93/45/40/947934540.db2.gz DOZUKEPTDPTIKP-DZGCQCFKSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573391429 947936423 /nfs/dbraw/zinc/93/64/23/947936423.db2.gz HTASGGXQMHGHBR-CQSZACIVSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573391429 947936428 /nfs/dbraw/zinc/93/64/28/947936428.db2.gz HTASGGXQMHGHBR-CQSZACIVSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573391815 947937935 /nfs/dbraw/zinc/93/79/35/947937935.db2.gz LUJBIDLHBNMEDN-CYBMUJFWSA-N -1 3 390.423 0.306 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573391815 947937943 /nfs/dbraw/zinc/93/79/43/947937943.db2.gz LUJBIDLHBNMEDN-CYBMUJFWSA-N -1 3 390.423 0.306 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573391951 947938081 /nfs/dbraw/zinc/93/80/81/947938081.db2.gz MQLGSYMDOIHBAW-OCCSQVGLSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573391951 947938083 /nfs/dbraw/zinc/93/80/83/947938083.db2.gz MQLGSYMDOIHBAW-OCCSQVGLSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573391968 947938596 /nfs/dbraw/zinc/93/85/96/947938596.db2.gz NFDGVRYUJDUMKD-UHFFFAOYSA-N -1 3 377.474 0.441 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573391816 947938661 /nfs/dbraw/zinc/93/86/61/947938661.db2.gz LUJBIDLHBNMEDN-ZDUSSCGKSA-N -1 3 390.423 0.306 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573391816 947938666 /nfs/dbraw/zinc/93/86/66/947938666.db2.gz LUJBIDLHBNMEDN-ZDUSSCGKSA-N -1 3 390.423 0.306 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)[C@H](C)C1 ZINC001573392372 947947428 /nfs/dbraw/zinc/94/74/28/947947428.db2.gz AEPFUIYNWJTUQO-ABAIWWIYSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)[C@H](C)C1 ZINC001573392372 947947430 /nfs/dbraw/zinc/94/74/30/947947430.db2.gz AEPFUIYNWJTUQO-ABAIWWIYSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(N(C)c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573392636 947948246 /nfs/dbraw/zinc/94/82/46/947948246.db2.gz CVJFRNYJAJPBHF-UHFFFAOYSA-N -1 3 392.489 0.537 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392695 947949890 /nfs/dbraw/zinc/94/98/90/947949890.db2.gz FBNLLKHHAXABEG-TZMCWYRMSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392695 947949897 /nfs/dbraw/zinc/94/98/97/947949897.db2.gz FBNLLKHHAXABEG-TZMCWYRMSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573392826 947951390 /nfs/dbraw/zinc/95/13/90/947951390.db2.gz FZKWMHUKXNYJTR-TZMCWYRMSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573392826 947951393 /nfs/dbraw/zinc/95/13/93/947951393.db2.gz FZKWMHUKXNYJTR-TZMCWYRMSA-N -1 3 386.460 0.637 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573653069 947951578 /nfs/dbraw/zinc/95/15/78/947951578.db2.gz IYMFFGQVQGGFBV-NEPJUHHUSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573653069 947951586 /nfs/dbraw/zinc/95/15/86/947951586.db2.gz IYMFFGQVQGGFBV-NEPJUHHUSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573653354 947955040 /nfs/dbraw/zinc/95/50/40/947955040.db2.gz KWPHTGWMWIVQQW-LLVKDONJSA-N -1 3 376.465 0.502 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573653354 947955049 /nfs/dbraw/zinc/95/50/49/947955049.db2.gz KWPHTGWMWIVQQW-LLVKDONJSA-N -1 3 376.465 0.502 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccs1 ZINC001573653382 947955649 /nfs/dbraw/zinc/95/56/49/947955649.db2.gz LFDDIFGGHGFTDW-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccs1 ZINC001573653382 947955652 /nfs/dbraw/zinc/95/56/52/947955652.db2.gz LFDDIFGGHGFTDW-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573393913 947960308 /nfs/dbraw/zinc/96/03/08/947960308.db2.gz QRBZNYVDKFPYBS-GXTWGEPZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573393913 947960312 /nfs/dbraw/zinc/96/03/12/947960312.db2.gz QRBZNYVDKFPYBS-GXTWGEPZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573393927 947961087 /nfs/dbraw/zinc/96/10/87/947961087.db2.gz QVDFKOSKGNQFRR-UHFFFAOYSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573393927 947961095 /nfs/dbraw/zinc/96/10/95/947961095.db2.gz QVDFKOSKGNQFRR-UHFFFAOYSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573393748 947961148 /nfs/dbraw/zinc/96/11/48/947961148.db2.gz PQSLRGWWNAATHJ-TZMCWYRMSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573393748 947961155 /nfs/dbraw/zinc/96/11/55/947961155.db2.gz PQSLRGWWNAATHJ-TZMCWYRMSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573393916 947961168 /nfs/dbraw/zinc/96/11/68/947961168.db2.gz QRBZNYVDKFPYBS-JSGCOSHPSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573393916 947961176 /nfs/dbraw/zinc/96/11/76/947961176.db2.gz QRBZNYVDKFPYBS-JSGCOSHPSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573393745 947961332 /nfs/dbraw/zinc/96/13/32/947961332.db2.gz PQSLRGWWNAATHJ-GXTWGEPZSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573393745 947961337 /nfs/dbraw/zinc/96/13/37/947961337.db2.gz PQSLRGWWNAATHJ-GXTWGEPZSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573394038 947962145 /nfs/dbraw/zinc/96/21/45/947962145.db2.gz RUICRZUKFQXZHA-WFASDCNBSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573394038 947962152 /nfs/dbraw/zinc/96/21/52/947962152.db2.gz RUICRZUKFQXZHA-WFASDCNBSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1C ZINC001573394049 947962651 /nfs/dbraw/zinc/96/26/51/947962651.db2.gz SBRWATRMUNQXSJ-SMDDNHRTSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1C ZINC001573394049 947962654 /nfs/dbraw/zinc/96/26/54/947962654.db2.gz SBRWATRMUNQXSJ-SMDDNHRTSA-N -1 3 386.460 0.840 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573654248 947963693 /nfs/dbraw/zinc/96/36/93/947963693.db2.gz QEFVNNWSQITJIY-JTNHKYCSSA-N -1 3 388.476 0.548 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573394425 947964213 /nfs/dbraw/zinc/96/42/13/947964213.db2.gz TZLIFOOJVPKRSR-CQSZACIVSA-N -1 3 386.460 0.333 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573394425 947964216 /nfs/dbraw/zinc/96/42/16/947964216.db2.gz TZLIFOOJVPKRSR-CQSZACIVSA-N -1 3 386.460 0.333 20 0 GCADHM C[C@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccc1 ZINC001573654245 947964210 /nfs/dbraw/zinc/96/42/10/947964210.db2.gz QDFPIRHLJSYTFQ-IAQYHMDHSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccc1 ZINC001573654245 947964215 /nfs/dbraw/zinc/96/42/15/947964215.db2.gz QDFPIRHLJSYTFQ-IAQYHMDHSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573654453 947965104 /nfs/dbraw/zinc/96/51/04/947965104.db2.gz RBWGTSQBZNDJLW-AAEUAGOBSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573654453 947965116 /nfs/dbraw/zinc/96/51/16/947965116.db2.gz RBWGTSQBZNDJLW-AAEUAGOBSA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573395647 947970845 /nfs/dbraw/zinc/97/08/45/947970845.db2.gz ZOYOCPSBZIPNEV-CABZTGNLSA-N -1 3 392.489 0.759 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C1)CC2 ZINC000826337226 947972569 /nfs/dbraw/zinc/97/25/69/947972569.db2.gz HURAQDRFMTZHRZ-CVEARBPZSA-N -1 3 394.439 0.929 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C1)CC2 ZINC000826337226 947972576 /nfs/dbraw/zinc/97/25/76/947972576.db2.gz HURAQDRFMTZHRZ-CVEARBPZSA-N -1 3 394.439 0.929 20 0 GCADHM Cc1noc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000826339710 947977188 /nfs/dbraw/zinc/97/71/88/947977188.db2.gz PQLHYNXSSSGFNP-LBPRGKRZSA-N -1 3 395.376 0.459 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573655221 947977198 /nfs/dbraw/zinc/97/71/98/947977198.db2.gz WLUPVHDCDFQEKY-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573655221 947977205 /nfs/dbraw/zinc/97/72/05/947977205.db2.gz WLUPVHDCDFQEKY-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826339644 947977448 /nfs/dbraw/zinc/97/74/48/947977448.db2.gz MXSFHSFDCHQRKG-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826339644 947977452 /nfs/dbraw/zinc/97/74/52/947977452.db2.gz MXSFHSFDCHQRKG-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573655415 947977730 /nfs/dbraw/zinc/97/77/30/947977730.db2.gz XHBUFYKZJGOYTJ-DGCLKSJQSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573655415 947977742 /nfs/dbraw/zinc/97/77/42/947977742.db2.gz XHBUFYKZJGOYTJ-DGCLKSJQSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573655393 947977982 /nfs/dbraw/zinc/97/79/82/947977982.db2.gz XEISNNRXNMYABZ-GWCFXTLKSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573655393 947977989 /nfs/dbraw/zinc/97/79/89/947977989.db2.gz XEISNNRXNMYABZ-GWCFXTLKSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001573398169 947978129 /nfs/dbraw/zinc/97/81/29/947978129.db2.gz HULBVOHSTCEDKF-GOSISDBHSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001573398169 947978134 /nfs/dbraw/zinc/97/81/34/947978134.db2.gz HULBVOHSTCEDKF-GOSISDBHSA-N -1 3 386.460 0.745 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN(C(C)C)C(=O)C2)c(-c2nnn[n-]2)c1C ZINC000826341514 947981116 /nfs/dbraw/zinc/98/11/16/947981116.db2.gz JNYSMWSJMJOLOK-LLVKDONJSA-N -1 3 375.433 0.956 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573655989 947984531 /nfs/dbraw/zinc/98/45/31/947984531.db2.gz AZZIEAJYMGGSTN-KPZWWZAWSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573655989 947984540 /nfs/dbraw/zinc/98/45/40/947984540.db2.gz AZZIEAJYMGGSTN-KPZWWZAWSA-N -1 3 381.444 0.884 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)c(C)n1)CC(C)C ZINC001573399583 947992075 /nfs/dbraw/zinc/99/20/75/947992075.db2.gz XCVGRORSVPFGFO-CQSZACIVSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)c(C)n1)CC(C)C ZINC001573399583 947992081 /nfs/dbraw/zinc/99/20/81/947992081.db2.gz XCVGRORSVPFGFO-CQSZACIVSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573399809 947993944 /nfs/dbraw/zinc/99/39/44/947993944.db2.gz YUPFOPVNBTVVLJ-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573399809 947993949 /nfs/dbraw/zinc/99/39/49/947993949.db2.gz YUPFOPVNBTVVLJ-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573399840 947995648 /nfs/dbraw/zinc/99/56/48/947995648.db2.gz ZLAFFPFHHRMCQO-LLVKDONJSA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573401218 947995699 /nfs/dbraw/zinc/99/56/99/947995699.db2.gz ALLJRQNDULGBLN-OAHLLOKOSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)[C@@H](C)C1 ZINC001573401139 947995770 /nfs/dbraw/zinc/99/57/70/947995770.db2.gz AAHWXGPSLZPCOB-FZMZJTMJSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)[C@@H](C)C1 ZINC001573401139 947995774 /nfs/dbraw/zinc/99/57/74/947995774.db2.gz AAHWXGPSLZPCOB-FZMZJTMJSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC1)n1cncn1 ZINC001573657019 947996167 /nfs/dbraw/zinc/99/61/67/947996167.db2.gz JPNMBWFSIRPFPK-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC1)n1cncn1 ZINC001573657019 947996172 /nfs/dbraw/zinc/99/61/72/947996172.db2.gz JPNMBWFSIRPFPK-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)[C@@H](C)C1 ZINC001573401146 947996721 /nfs/dbraw/zinc/99/67/21/947996721.db2.gz AAHWXGPSLZPCOB-SMDDNHRTSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)[C@@H](C)C1 ZINC001573401146 947996727 /nfs/dbraw/zinc/99/67/27/947996727.db2.gz AAHWXGPSLZPCOB-SMDDNHRTSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CC1(C)C ZINC001573401789 947998518 /nfs/dbraw/zinc/99/85/18/947998518.db2.gz CRXAZIMROJTCDG-AWEZNQCLSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CC1(C)C ZINC001573401789 947998521 /nfs/dbraw/zinc/99/85/21/947998521.db2.gz CRXAZIMROJTCDG-AWEZNQCLSA-N -1 3 386.460 0.379 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cncnc1 ZINC001573657311 947998667 /nfs/dbraw/zinc/99/86/67/947998667.db2.gz LSABYUSEFBQWAS-SNVBAGLBSA-N -1 3 381.400 0.167 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cncnc1 ZINC001573657311 947998671 /nfs/dbraw/zinc/99/86/71/947998671.db2.gz LSABYUSEFBQWAS-SNVBAGLBSA-N -1 3 381.400 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CN(c2snc(C)c2-c2nnn[n-]2)CC1(C)C ZINC001573401880 947999438 /nfs/dbraw/zinc/99/94/38/947999438.db2.gz DYXUFJOMODDDMB-NSHDSACASA-N -1 3 392.489 0.441 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573401824 948000883 /nfs/dbraw/zinc/00/08/83/948000883.db2.gz DBCMXMZTBJKCBL-UKRRQHHQSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573401824 948000893 /nfs/dbraw/zinc/00/08/93/948000893.db2.gz DBCMXMZTBJKCBL-UKRRQHHQSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573402432 948001594 /nfs/dbraw/zinc/00/15/94/948001594.db2.gz GNRJFNRLFIGORX-ZDUSSCGKSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573402432 948001602 /nfs/dbraw/zinc/00/16/02/948001602.db2.gz GNRJFNRLFIGORX-ZDUSSCGKSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573402763 948004763 /nfs/dbraw/zinc/00/47/63/948004763.db2.gz HVWNNMSAHRYEMT-NSHDSACASA-N -1 3 380.478 0.663 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001573402765 948005525 /nfs/dbraw/zinc/00/55/25/948005525.db2.gz HXDVSFKQMJTBOS-AWEZNQCLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001573402765 948005535 /nfs/dbraw/zinc/00/55/35/948005535.db2.gz HXDVSFKQMJTBOS-AWEZNQCLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573403460 948010281 /nfs/dbraw/zinc/01/02/81/948010281.db2.gz MYSDCWJDHWFEST-HNNXBMFYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573403440 948010490 /nfs/dbraw/zinc/01/04/90/948010490.db2.gz MQYRSNYRJQRHDT-WCQYABFASA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573403440 948010497 /nfs/dbraw/zinc/01/04/97/948010497.db2.gz MQYRSNYRJQRHDT-WCQYABFASA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573403439 948010750 /nfs/dbraw/zinc/01/07/50/948010750.db2.gz MQYRSNYRJQRHDT-DGCLKSJQSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573403439 948010762 /nfs/dbraw/zinc/01/07/62/948010762.db2.gz MQYRSNYRJQRHDT-DGCLKSJQSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573403438 948011407 /nfs/dbraw/zinc/01/14/07/948011407.db2.gz MQYRSNYRJQRHDT-AAEUAGOBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573403438 948011417 /nfs/dbraw/zinc/01/14/17/948011417.db2.gz MQYRSNYRJQRHDT-AAEUAGOBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573403695 948012850 /nfs/dbraw/zinc/01/28/50/948012850.db2.gz NKYQKQWGBVXYGR-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573403695 948012857 /nfs/dbraw/zinc/01/28/57/948012857.db2.gz NKYQKQWGBVXYGR-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1ccnn1C ZINC001573659018 948014047 /nfs/dbraw/zinc/01/40/47/948014047.db2.gz UOPIQXWGRWGTMC-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1ccnn1C ZINC001573659018 948014055 /nfs/dbraw/zinc/01/40/55/948014055.db2.gz UOPIQXWGRWGTMC-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573404142 948014805 /nfs/dbraw/zinc/01/48/05/948014805.db2.gz QHOCWVAIEJUTDV-SFHVURJKSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573404142 948014813 /nfs/dbraw/zinc/01/48/13/948014813.db2.gz QHOCWVAIEJUTDV-SFHVURJKSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CCOCC1 ZINC001573659472 948016835 /nfs/dbraw/zinc/01/68/35/948016835.db2.gz WGLNICJUPYEOHE-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CCOCC1 ZINC001573659472 948016841 /nfs/dbraw/zinc/01/68/41/948016841.db2.gz WGLNICJUPYEOHE-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573404189 948017496 /nfs/dbraw/zinc/01/74/96/948017496.db2.gz AALHWPXAHRBLBI-UHFFFAOYSA-N -1 3 392.489 0.951 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573404428 948024058 /nfs/dbraw/zinc/02/40/58/948024058.db2.gz DTKZTIGJCLGDNJ-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573404428 948024065 /nfs/dbraw/zinc/02/40/65/948024065.db2.gz DTKZTIGJCLGDNJ-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573662396 948025272 /nfs/dbraw/zinc/02/52/72/948025272.db2.gz CMRJXEUOFLEMLQ-QMTHXVAHSA-N -1 3 386.460 0.302 20 0 GCADHM CC(=O)N(C)CC(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573404403 948025391 /nfs/dbraw/zinc/02/53/91/948025391.db2.gz CUXREOHVCYKLBS-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573404403 948025399 /nfs/dbraw/zinc/02/53/99/948025399.db2.gz CUXREOHVCYKLBS-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573404813 948032901 /nfs/dbraw/zinc/03/29/01/948032901.db2.gz WPONLSHCOXWHND-ZIAGYGMSSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573404813 948032909 /nfs/dbraw/zinc/03/29/09/948032909.db2.gz WPONLSHCOXWHND-ZIAGYGMSSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573663322 948035515 /nfs/dbraw/zinc/03/55/15/948035515.db2.gz LILIYBCQRZCTJV-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573663322 948035522 /nfs/dbraw/zinc/03/55/22/948035522.db2.gz LILIYBCQRZCTJV-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)C(=O)NC1CC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573663510 948036332 /nfs/dbraw/zinc/03/63/32/948036332.db2.gz NCFFSUZEFKJUAT-LBPRGKRZSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)C(=O)NC1CC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573663510 948036339 /nfs/dbraw/zinc/03/63/39/948036339.db2.gz NCFFSUZEFKJUAT-LBPRGKRZSA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573405227 948040786 /nfs/dbraw/zinc/04/07/86/948040786.db2.gz ZZWMIXIHYQWQCF-RYUDHWBXSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573405852 948048719 /nfs/dbraw/zinc/04/87/19/948048719.db2.gz XOZRXFYKNPKZKJ-CYBMUJFWSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573405852 948048727 /nfs/dbraw/zinc/04/87/27/948048727.db2.gz XOZRXFYKNPKZKJ-CYBMUJFWSA-N -1 3 375.408 0.175 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573664378 948053811 /nfs/dbraw/zinc/05/38/11/948053811.db2.gz UXEJRPVASWVBCZ-ZBOXLXRLSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573664378 948053817 /nfs/dbraw/zinc/05/38/17/948053817.db2.gz UXEJRPVASWVBCZ-ZBOXLXRLSA-N -1 3 383.416 0.277 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573406542 948053932 /nfs/dbraw/zinc/05/39/32/948053932.db2.gz KBTYYUNCBMTFOR-DGCLKSJQSA-N -1 3 389.435 0.673 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573406542 948053938 /nfs/dbraw/zinc/05/39/38/948053938.db2.gz KBTYYUNCBMTFOR-DGCLKSJQSA-N -1 3 389.435 0.673 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573664554 948055779 /nfs/dbraw/zinc/05/57/79/948055779.db2.gz VDBRDCSZHMTXCZ-DCBWTQNWSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573664554 948055787 /nfs/dbraw/zinc/05/57/87/948055787.db2.gz VDBRDCSZHMTXCZ-DCBWTQNWSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@]1(CO)CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1CC1 ZINC001573664601 948058125 /nfs/dbraw/zinc/05/81/25/948058125.db2.gz VSTXRYGBBNFYMQ-BBATYDOGSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@H](C(=O)N[C@]1(CO)CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1CC1 ZINC001573664601 948058134 /nfs/dbraw/zinc/05/81/34/948058134.db2.gz VSTXRYGBBNFYMQ-BBATYDOGSA-N -1 3 389.435 0.894 20 0 GCADHM Cc1onc(CC(=O)NC[C@]2(N3CCOCC3)CCSC2)c1-c1nnn[n-]1 ZINC000826347655 948058219 /nfs/dbraw/zinc/05/82/19/948058219.db2.gz YWRGHHHDHXNRBZ-MRXNPFEDSA-N -1 3 393.473 0.030 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573406904 948060625 /nfs/dbraw/zinc/06/06/25/948060625.db2.gz WISXIIVCKDPQOX-CQSZACIVSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573406904 948060634 /nfs/dbraw/zinc/06/06/34/948060634.db2.gz WISXIIVCKDPQOX-CQSZACIVSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573408045 948061456 /nfs/dbraw/zinc/06/14/56/948061456.db2.gz AKTRFSHQUYWPEU-HAQNSBGRSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573408045 948061466 /nfs/dbraw/zinc/06/14/66/948061466.db2.gz AKTRFSHQUYWPEU-HAQNSBGRSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573408498 948066979 /nfs/dbraw/zinc/06/69/79/948066979.db2.gz ICKCGFJWHCYBIB-UMSPYCQHSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573408498 948066988 /nfs/dbraw/zinc/06/69/88/948066988.db2.gz ICKCGFJWHCYBIB-UMSPYCQHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccn1 ZINC001573665120 948070200 /nfs/dbraw/zinc/07/02/00/948070200.db2.gz JBAOBZJACBXMSX-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccn1 ZINC001573665120 948070210 /nfs/dbraw/zinc/07/02/10/948070210.db2.gz JBAOBZJACBXMSX-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573665719 948075332 /nfs/dbraw/zinc/07/53/32/948075332.db2.gz MGZKTYLMXGYYOC-RISCZKNCSA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573409722 948076986 /nfs/dbraw/zinc/07/69/86/948076986.db2.gz VTUMOKNMELHMQU-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573409722 948076996 /nfs/dbraw/zinc/07/69/96/948076996.db2.gz VTUMOKNMELHMQU-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573665797 948078338 /nfs/dbraw/zinc/07/83/38/948078338.db2.gz NFIFRLYSNQCLIN-NSHDSACASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573665797 948078350 /nfs/dbraw/zinc/07/83/50/948078350.db2.gz NFIFRLYSNQCLIN-NSHDSACASA-N -1 3 386.460 0.304 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@@H]2C)C1 ZINC001573413365 948079322 /nfs/dbraw/zinc/07/93/22/948079322.db2.gz CPCWJBIKMHFUPM-NHYWBVRUSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@@H]2C)C1 ZINC001573413365 948079331 /nfs/dbraw/zinc/07/93/31/948079331.db2.gz CPCWJBIKMHFUPM-NHYWBVRUSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](N(C)c3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573413827 948085930 /nfs/dbraw/zinc/08/59/30/948085930.db2.gz HCMBNWGUIIONMC-CQSZACIVSA-N -1 3 384.444 0.086 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](N(C)c3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573413827 948085941 /nfs/dbraw/zinc/08/59/41/948085941.db2.gz HCMBNWGUIIONMC-CQSZACIVSA-N -1 3 384.444 0.086 20 0 GCADHM CC(=O)N1CC(C(=O)N(CCN(C)c2ccc(-c3nnn[n-]3)cn2)C(C)C)C1 ZINC001573414051 948087332 /nfs/dbraw/zinc/08/73/32/948087332.db2.gz IXXARFWWIGWOSY-UHFFFAOYSA-N -1 3 386.460 0.413 20 0 GCADHM CC(=O)N1CC(C(=O)N(CCN(C)c2ccc(-c3nn[n-]n3)cn2)C(C)C)C1 ZINC001573414051 948087346 /nfs/dbraw/zinc/08/73/46/948087346.db2.gz IXXARFWWIGWOSY-UHFFFAOYSA-N -1 3 386.460 0.413 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573666798 948091478 /nfs/dbraw/zinc/09/14/78/948091478.db2.gz WGCASVMDDYGVIQ-DOMZBBRYSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)[C@H](C)C2)C1 ZINC001573414399 948091891 /nfs/dbraw/zinc/09/18/91/948091891.db2.gz LPIILSNVMYTJFJ-ABAIWWIYSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)[C@H](C)C2)C1 ZINC001573414399 948091902 /nfs/dbraw/zinc/09/19/02/948091902.db2.gz LPIILSNVMYTJFJ-ABAIWWIYSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CN(C)c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573414475 948095047 /nfs/dbraw/zinc/09/50/47/948095047.db2.gz MUGPIIDTSNOAPI-ZDUSSCGKSA-N -1 3 384.444 0.025 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573414475 948095055 /nfs/dbraw/zinc/09/50/55/948095055.db2.gz MUGPIIDTSNOAPI-ZDUSSCGKSA-N -1 3 384.444 0.025 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccc1 ZINC001573667410 948099041 /nfs/dbraw/zinc/09/90/41/948099041.db2.gz ZHWCIYPHOZZIAR-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccc1 ZINC001573667410 948099052 /nfs/dbraw/zinc/09/90/52/948099052.db2.gz ZHWCIYPHOZZIAR-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573415200 948104165 /nfs/dbraw/zinc/10/41/65/948104165.db2.gz WTAPTUJMRDTISZ-CYBMUJFWSA-N -1 3 388.407 0.282 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573415200 948104175 /nfs/dbraw/zinc/10/41/75/948104175.db2.gz WTAPTUJMRDTISZ-CYBMUJFWSA-N -1 3 388.407 0.282 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C[C@@H]2C)C1 ZINC001573415316 948105209 /nfs/dbraw/zinc/10/52/09/948105209.db2.gz XCRIYMUMOCLEPS-IINYFYTJSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C[C@@H]2C)C1 ZINC001573415316 948105211 /nfs/dbraw/zinc/10/52/11/948105211.db2.gz XCRIYMUMOCLEPS-IINYFYTJSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](N(C)c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573415313 948105292 /nfs/dbraw/zinc/10/52/92/948105292.db2.gz XBIUCGMCXXFLPY-AWEZNQCLSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](N(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573415313 948105294 /nfs/dbraw/zinc/10/52/94/948105294.db2.gz XBIUCGMCXXFLPY-AWEZNQCLSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C2CC2)C1 ZINC001573415264 948105524 /nfs/dbraw/zinc/10/55/24/948105524.db2.gz QMXRCOFMBFABHN-INIZCTEOSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)C1 ZINC001573415264 948105530 /nfs/dbraw/zinc/10/55/30/948105530.db2.gz QMXRCOFMBFABHN-INIZCTEOSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]2C)C1 ZINC001573415318 948105958 /nfs/dbraw/zinc/10/59/58/948105958.db2.gz XCRIYMUMOCLEPS-YGRLFVJLSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]2C)C1 ZINC001573415318 948105966 /nfs/dbraw/zinc/10/59/66/948105966.db2.gz XCRIYMUMOCLEPS-YGRLFVJLSA-N -1 3 384.444 0.450 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)n1cncn1 ZINC001573671357 948106046 /nfs/dbraw/zinc/10/60/46/948106046.db2.gz FFYYOXTZJJVWHD-MWLCHTKSSA-N -1 3 388.823 0.463 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)n1cncn1 ZINC001573671357 948106053 /nfs/dbraw/zinc/10/60/53/948106053.db2.gz FFYYOXTZJJVWHD-MWLCHTKSSA-N -1 3 388.823 0.463 20 0 GCADHM 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CC(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573429394 948171708 /nfs/dbraw/zinc/17/17/08/948171708.db2.gz IBUINZANZRNLNU-NEPJUHHUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573430084 948174926 /nfs/dbraw/zinc/17/49/26/948174926.db2.gz NFVJFCBNAYRLEP-GFCCVEGCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573430084 948174932 /nfs/dbraw/zinc/17/49/32/948174932.db2.gz NFVJFCBNAYRLEP-GFCCVEGCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573430117 948175945 /nfs/dbraw/zinc/17/59/45/948175945.db2.gz ODGIQYVXWXADTC-SECBINFHSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001573430467 948176094 /nfs/dbraw/zinc/17/60/94/948176094.db2.gz OYXGRLVRWFHVMC-UHFFFAOYSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001573430467 948176097 /nfs/dbraw/zinc/17/60/97/948176097.db2.gz OYXGRLVRWFHVMC-UHFFFAOYSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001573430138 948176256 /nfs/dbraw/zinc/17/62/56/948176256.db2.gz OUENJDLLPZGGBR-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001573430138 948176259 /nfs/dbraw/zinc/17/62/59/948176259.db2.gz OUENJDLLPZGGBR-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573430524 948176343 /nfs/dbraw/zinc/17/63/43/948176343.db2.gz PRBCBOTZHMUHNL-SECBINFHSA-N -1 3 392.489 0.807 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573680394 948178805 /nfs/dbraw/zinc/17/88/05/948178805.db2.gz NRRYPFOQIVAHLQ-PWSUYJOCSA-N -1 3 388.407 0.432 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573680394 948178809 /nfs/dbraw/zinc/17/88/09/948178809.db2.gz NRRYPFOQIVAHLQ-PWSUYJOCSA-N -1 3 388.407 0.432 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001573431032 948178972 /nfs/dbraw/zinc/17/89/72/948178972.db2.gz UMXDBQATALEAOE-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001573431032 948178978 /nfs/dbraw/zinc/17/89/78/948178978.db2.gz UMXDBQATALEAOE-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573432085 948185649 /nfs/dbraw/zinc/18/56/49/948185649.db2.gz CURURUORZDUSQP-QGZVFWFLSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573432085 948185654 /nfs/dbraw/zinc/18/56/54/948185654.db2.gz CURURUORZDUSQP-QGZVFWFLSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573432130 948185999 /nfs/dbraw/zinc/18/59/99/948185999.db2.gz FBAJGUJXLKHGKL-IYOUNJFTSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573432130 948186006 /nfs/dbraw/zinc/18/60/06/948186006.db2.gz FBAJGUJXLKHGKL-IYOUNJFTSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573681284 948199243 /nfs/dbraw/zinc/19/92/43/948199243.db2.gz UHYPWFFKPNHNKT-WCBMZHEXSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573681284 948199248 /nfs/dbraw/zinc/19/92/48/948199248.db2.gz UHYPWFFKPNHNKT-WCBMZHEXSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573681537 948205498 /nfs/dbraw/zinc/20/54/98/948205498.db2.gz WFBDUSFTHHNLLL-SMDDNHRTSA-N -1 3 388.407 0.030 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](O)CCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826395073 948206498 /nfs/dbraw/zinc/20/64/98/948206498.db2.gz LWPIZJWKNYGUDU-ZDUSSCGKSA-N -1 3 388.453 0.920 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](O)CCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000826395073 948206509 /nfs/dbraw/zinc/20/65/09/948206509.db2.gz LWPIZJWKNYGUDU-ZDUSSCGKSA-N -1 3 388.453 0.920 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000826397378 948210670 /nfs/dbraw/zinc/21/06/70/948210670.db2.gz BRLYWYQVNNMEJO-HNNXBMFYSA-N -1 3 385.428 0.260 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000826397378 948210677 /nfs/dbraw/zinc/21/06/77/948210677.db2.gz BRLYWYQVNNMEJO-HNNXBMFYSA-N -1 3 385.428 0.260 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573434171 948210786 /nfs/dbraw/zinc/21/07/86/948210786.db2.gz OOZATDFHHMHIEU-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573434171 948210795 /nfs/dbraw/zinc/21/07/95/948210795.db2.gz OOZATDFHHMHIEU-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000826397589 948211757 /nfs/dbraw/zinc/21/17/57/948211757.db2.gz GWTHCPTXPIRUHE-INIZCTEOSA-N -1 3 399.455 0.650 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000826397589 948211766 /nfs/dbraw/zinc/21/17/66/948211766.db2.gz GWTHCPTXPIRUHE-INIZCTEOSA-N -1 3 399.455 0.650 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573689949 948220379 /nfs/dbraw/zinc/22/03/79/948220379.db2.gz AWXWAMRRZWJJDU-MNOVXSKESA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573689949 948220387 /nfs/dbraw/zinc/22/03/87/948220387.db2.gz AWXWAMRRZWJJDU-MNOVXSKESA-N -1 3 377.449 0.426 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573434940 948220855 /nfs/dbraw/zinc/22/08/55/948220855.db2.gz SXNQBBWKNHWJRF-RDTXWAMCSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573434940 948220860 /nfs/dbraw/zinc/22/08/60/948220860.db2.gz SXNQBBWKNHWJRF-RDTXWAMCSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573434990 948223293 /nfs/dbraw/zinc/22/32/93/948223293.db2.gz UMTBASHJEMSQHT-MRXNPFEDSA-N -1 3 392.489 0.760 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573690755 948228518 /nfs/dbraw/zinc/22/85/18/948228518.db2.gz ATAGCPIFDHPPIG-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573690755 948228526 /nfs/dbraw/zinc/22/85/26/948228526.db2.gz ATAGCPIFDHPPIG-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573435448 948228868 /nfs/dbraw/zinc/22/88/68/948228868.db2.gz WWRFGCLDJLMGEH-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573435448 948228874 /nfs/dbraw/zinc/22/88/74/948228874.db2.gz WWRFGCLDJLMGEH-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573690792 948229502 /nfs/dbraw/zinc/22/95/02/948229502.db2.gz FPKQIWNOYBCROO-BXUZGUMPSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573690792 948229512 /nfs/dbraw/zinc/22/95/12/948229512.db2.gz FPKQIWNOYBCROO-BXUZGUMPSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCCC1)n1cncn1 ZINC001573690783 948230277 /nfs/dbraw/zinc/23/02/77/948230277.db2.gz BFZKNOGHRCQEMI-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCCC1)n1cncn1 ZINC001573690783 948230287 /nfs/dbraw/zinc/23/02/87/948230287.db2.gz BFZKNOGHRCQEMI-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573435686 948232091 /nfs/dbraw/zinc/23/20/91/948232091.db2.gz ZJLKVCXALFXCCV-FZKQIMNGSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573435686 948232098 /nfs/dbraw/zinc/23/20/98/948232098.db2.gz ZJLKVCXALFXCCV-FZKQIMNGSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC([C@@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)CC1 ZINC001573435694 948233066 /nfs/dbraw/zinc/23/30/66/948233066.db2.gz ZNMCUXNMTXYHPO-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC([C@@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)CC1 ZINC001573435694 948233077 /nfs/dbraw/zinc/23/30/77/948233077.db2.gz ZNMCUXNMTXYHPO-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573435674 948233618 /nfs/dbraw/zinc/23/36/18/948233618.db2.gz ZALIQSUAWLURHN-XIKOKIGWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573435674 948233624 /nfs/dbraw/zinc/23/36/24/948233624.db2.gz ZALIQSUAWLURHN-XIKOKIGWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573438393 948234719 /nfs/dbraw/zinc/23/47/19/948234719.db2.gz ACHNTURJHMLGBF-SWLSCSKDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573438393 948234730 /nfs/dbraw/zinc/23/47/30/948234730.db2.gz ACHNTURJHMLGBF-SWLSCSKDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573438411 948235311 /nfs/dbraw/zinc/23/53/11/948235311.db2.gz ACXUTQYDROUYBZ-DOMZBBRYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573438411 948235317 /nfs/dbraw/zinc/23/53/17/948235317.db2.gz ACXUTQYDROUYBZ-DOMZBBRYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573438412 948235841 /nfs/dbraw/zinc/23/58/41/948235841.db2.gz ACXUTQYDROUYBZ-IUODEOHRSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573438412 948235850 /nfs/dbraw/zinc/23/58/50/948235850.db2.gz ACXUTQYDROUYBZ-IUODEOHRSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CC1 ZINC001573691133 948237413 /nfs/dbraw/zinc/23/74/13/948237413.db2.gz HQQHSGLBVMPPMJ-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CC1 ZINC001573691133 948237423 /nfs/dbraw/zinc/23/74/23/948237423.db2.gz HQQHSGLBVMPPMJ-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cnn(C)c1 ZINC001573691180 948239853 /nfs/dbraw/zinc/23/98/53/948239853.db2.gz IAHSXWCCVOTSNK-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cnn(C)c1 ZINC001573691180 948239863 /nfs/dbraw/zinc/23/98/63/948239863.db2.gz IAHSXWCCVOTSNK-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001573691443 948243600 /nfs/dbraw/zinc/24/36/00/948243600.db2.gz IRDLUUOEGCNLDU-QWRGUYRKSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001573691443 948243612 /nfs/dbraw/zinc/24/36/12/948243612.db2.gz IRDLUUOEGCNLDU-QWRGUYRKSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cccnc1 ZINC001573691449 948244610 /nfs/dbraw/zinc/24/46/10/948244610.db2.gz IRTOVKYGRSBEHY-NSHDSACASA-N -1 3 380.412 0.772 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cccnc1 ZINC001573691449 948244618 /nfs/dbraw/zinc/24/46/18/948244618.db2.gz IRTOVKYGRSBEHY-NSHDSACASA-N -1 3 380.412 0.772 20 0 GCADHM CC(=O)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001573439606 948246377 /nfs/dbraw/zinc/24/63/77/948246377.db2.gz NIWGUFUWJDYGBI-UHFFFAOYSA-N -1 3 382.421 0.436 20 0 GCADHM CC(=O)N1CCC(NS(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001573439606 948246385 /nfs/dbraw/zinc/24/63/85/948246385.db2.gz NIWGUFUWJDYGBI-UHFFFAOYSA-N -1 3 382.421 0.436 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573439382 948247093 /nfs/dbraw/zinc/24/70/93/948247093.db2.gz LKUQZTJHFBPKMA-DZGCQCFKSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573439382 948247102 /nfs/dbraw/zinc/24/71/02/948247102.db2.gz LKUQZTJHFBPKMA-DZGCQCFKSA-N -1 3 384.444 0.533 20 0 GCADHM O=C(CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)NCc1cccnc1 ZINC000826410856 948247563 /nfs/dbraw/zinc/24/75/63/948247563.db2.gz AJLSLDSPWLDDHT-QGZVFWFLSA-N -1 3 379.424 0.951 20 0 GCADHM O=C(CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)NCc1cccnc1 ZINC000826410856 948247574 /nfs/dbraw/zinc/24/75/74/948247574.db2.gz AJLSLDSPWLDDHT-QGZVFWFLSA-N -1 3 379.424 0.951 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000826411998 948248542 /nfs/dbraw/zinc/24/85/42/948248542.db2.gz XLVNGUIQQHLXAN-CQSZACIVSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000826411998 948248552 /nfs/dbraw/zinc/24/85/52/948248552.db2.gz XLVNGUIQQHLXAN-CQSZACIVSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)N1CCOCC1 ZINC000826412868 948251180 /nfs/dbraw/zinc/25/11/80/948251180.db2.gz GYWFDIFSOQCEGM-UHFFFAOYSA-N -1 3 375.339 0.386 20 0 GCADHM O=C(CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)N1CCOCC1 ZINC000826412868 948251189 /nfs/dbraw/zinc/25/11/89/948251189.db2.gz GYWFDIFSOQCEGM-UHFFFAOYSA-N -1 3 375.339 0.386 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573440899 948263091 /nfs/dbraw/zinc/26/30/91/948263091.db2.gz BFIOLCROWZIZAC-IUODEOHRSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573440899 948263099 /nfs/dbraw/zinc/26/30/99/948263099.db2.gz BFIOLCROWZIZAC-IUODEOHRSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573440963 948263552 /nfs/dbraw/zinc/26/35/52/948263552.db2.gz CHXIQIWNGQIEMF-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573440963 948263563 /nfs/dbraw/zinc/26/35/63/948263563.db2.gz CHXIQIWNGQIEMF-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573441072 948264289 /nfs/dbraw/zinc/26/42/89/948264289.db2.gz DHJLUIHLIPNJFI-YMAMQOFZSA-N -1 3 384.444 0.674 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573441072 948264298 /nfs/dbraw/zinc/26/42/98/948264298.db2.gz DHJLUIHLIPNJFI-YMAMQOFZSA-N -1 3 384.444 0.674 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)c1cccnc1 ZINC001573693384 948282777 /nfs/dbraw/zinc/28/27/77/948282777.db2.gz SUONGTWLHOAFRT-GXFFZTMASA-N -1 3 386.391 0.489 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)c1cccnc1 ZINC001573693384 948282789 /nfs/dbraw/zinc/28/27/89/948282789.db2.gz SUONGTWLHOAFRT-GXFFZTMASA-N -1 3 386.391 0.489 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2F)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431915 948284882 /nfs/dbraw/zinc/28/48/82/948284882.db2.gz NLKHNQUDWSSLTG-HIFRSBDPSA-N -1 3 383.387 0.829 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2F)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431915 948284890 /nfs/dbraw/zinc/28/48/90/948284890.db2.gz NLKHNQUDWSSLTG-HIFRSBDPSA-N -1 3 383.387 0.829 20 0 GCADHM O=C(NC[C@@H](O)CO)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826432691 948285752 /nfs/dbraw/zinc/28/57/52/948285752.db2.gz IBWYZNNCWQQOEG-SECBINFHSA-N -1 3 378.780 0.181 20 0 GCADHM O=C(NC[C@@H](O)CO)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826432691 948285760 /nfs/dbraw/zinc/28/57/60/948285760.db2.gz IBWYZNNCWQQOEG-SECBINFHSA-N -1 3 378.780 0.181 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573442256 948289612 /nfs/dbraw/zinc/28/96/12/948289612.db2.gz GDJQGDMIMFRTLX-LBPRGKRZSA-N -1 3 389.485 0.487 20 0 GCADHM O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826435638 948290149 /nfs/dbraw/zinc/29/01/49/948290149.db2.gz SUIQKHFRXGVNKE-CQSZACIVSA-N -1 3 386.412 0.997 20 0 GCADHM O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826435638 948290158 /nfs/dbraw/zinc/29/01/58/948290158.db2.gz SUIQKHFRXGVNKE-CQSZACIVSA-N -1 3 386.412 0.997 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573442435 948292909 /nfs/dbraw/zinc/29/29/09/948292909.db2.gz VZNGIJRQXXUZFJ-IAQYHMDHSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573442435 948292918 /nfs/dbraw/zinc/29/29/18/948292918.db2.gz VZNGIJRQXXUZFJ-IAQYHMDHSA-N -1 3 386.460 0.840 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@H](O)CCc1ccccc1 ZINC000826437989 948293763 /nfs/dbraw/zinc/29/37/63/948293763.db2.gz JADXYSXYIJWODR-MRXNPFEDSA-N -1 3 396.455 0.967 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@H](O)CCc1ccccc1 ZINC000826437989 948293774 /nfs/dbraw/zinc/29/37/74/948293774.db2.gz JADXYSXYIJWODR-MRXNPFEDSA-N -1 3 396.455 0.967 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCCCS1(=O)=O ZINC000826438609 948296539 /nfs/dbraw/zinc/29/65/39/948296539.db2.gz JVRAXTVHLRIABD-CQSZACIVSA-N -1 3 394.457 0.512 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccco1 ZINC001573694764 948297668 /nfs/dbraw/zinc/29/76/68/948297668.db2.gz DOWLBYJRWZQRLA-LLVKDONJSA-N -1 3 388.453 0.988 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573694703 948298231 /nfs/dbraw/zinc/29/82/31/948298231.db2.gz DAPQYLSXOVLKTL-MGPLVRAMSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573694703 948298240 /nfs/dbraw/zinc/29/82/40/948298240.db2.gz DAPQYLSXOVLKTL-MGPLVRAMSA-N -1 3 381.387 0.610 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573442648 948298436 /nfs/dbraw/zinc/29/84/36/948298436.db2.gz JIKQOHRVCOTNEJ-GFCCVEGCSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573442648 948298440 /nfs/dbraw/zinc/29/84/40/948298440.db2.gz JIKQOHRVCOTNEJ-GFCCVEGCSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573442927 948300907 /nfs/dbraw/zinc/30/09/07/948300907.db2.gz KCLRKBZPUZOYCJ-OCCSQVGLSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573442927 948300918 /nfs/dbraw/zinc/30/09/18/948300918.db2.gz KCLRKBZPUZOYCJ-OCCSQVGLSA-N -1 3 386.460 0.684 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000826441352 948302738 /nfs/dbraw/zinc/30/27/38/948302738.db2.gz ZYDCXJAQUVREBJ-UHFFFAOYSA-N -1 3 389.379 0.907 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000826441352 948302746 /nfs/dbraw/zinc/30/27/46/948302746.db2.gz ZYDCXJAQUVREBJ-UHFFFAOYSA-N -1 3 389.379 0.907 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573695276 948303651 /nfs/dbraw/zinc/30/36/51/948303651.db2.gz FYADBBHMXJIPOD-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573695276 948303662 /nfs/dbraw/zinc/30/36/62/948303662.db2.gz FYADBBHMXJIPOD-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001573695306 948304278 /nfs/dbraw/zinc/30/42/78/948304278.db2.gz GFBLBAPYLSUMTL-XJKSGUPXSA-N -1 3 386.456 0.345 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001573695306 948304288 /nfs/dbraw/zinc/30/42/88/948304288.db2.gz GFBLBAPYLSUMTL-XJKSGUPXSA-N -1 3 386.456 0.345 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573443405 948305185 /nfs/dbraw/zinc/30/51/85/948305185.db2.gz NJIWNOVRIOLZFT-RISCZKNCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573443405 948305194 /nfs/dbraw/zinc/30/51/94/948305194.db2.gz NJIWNOVRIOLZFT-RISCZKNCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573443779 948308542 /nfs/dbraw/zinc/30/85/42/948308542.db2.gz OTVSWFDMXCUYSM-SMDDNHRTSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573443779 948308551 /nfs/dbraw/zinc/30/85/51/948308551.db2.gz OTVSWFDMXCUYSM-SMDDNHRTSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573696000 948314254 /nfs/dbraw/zinc/31/42/54/948314254.db2.gz KBCPDMPWZNMFGO-LLVKDONJSA-N -1 3 380.399 0.821 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573696000 948314265 /nfs/dbraw/zinc/31/42/65/948314265.db2.gz KBCPDMPWZNMFGO-LLVKDONJSA-N -1 3 380.399 0.821 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573444826 948317567 /nfs/dbraw/zinc/31/75/67/948317567.db2.gz WFLBKFVZEBUJNA-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573444826 948317578 /nfs/dbraw/zinc/31/75/78/948317578.db2.gz WFLBKFVZEBUJNA-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)(F)F ZINC001573696255 948320130 /nfs/dbraw/zinc/32/01/30/948320130.db2.gz MQYUPXVTAGSQAH-MGPLVRAMSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)(F)F ZINC001573696255 948320136 /nfs/dbraw/zinc/32/01/36/948320136.db2.gz MQYUPXVTAGSQAH-MGPLVRAMSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573696269 948320233 /nfs/dbraw/zinc/32/02/33/948320233.db2.gz MUMHSLNZSKYWKP-UGSOOPFHSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573696269 948320240 /nfs/dbraw/zinc/32/02/40/948320240.db2.gz MUMHSLNZSKYWKP-UGSOOPFHSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573696267 948320971 /nfs/dbraw/zinc/32/09/71/948320971.db2.gz MUMHSLNZSKYWKP-FZKQIMNGSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573696267 948320973 /nfs/dbraw/zinc/32/09/73/948320973.db2.gz MUMHSLNZSKYWKP-FZKQIMNGSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001573696280 948321693 /nfs/dbraw/zinc/32/16/93/948321693.db2.gz NFLPPAMRNLAZOQ-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001573696280 948321700 /nfs/dbraw/zinc/32/17/00/948321700.db2.gz NFLPPAMRNLAZOQ-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573445115 948322534 /nfs/dbraw/zinc/32/25/34/948322534.db2.gz YPDWVWYYDRMQBQ-KFWWJZLASA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573445115 948322540 /nfs/dbraw/zinc/32/25/40/948322540.db2.gz YPDWVWYYDRMQBQ-KFWWJZLASA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573696469 948327069 /nfs/dbraw/zinc/32/70/69/948327069.db2.gz QXHSCECGPSFBNT-BBATYDOGSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573696469 948327077 /nfs/dbraw/zinc/32/70/77/948327077.db2.gz QXHSCECGPSFBNT-BBATYDOGSA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573446236 948327056 /nfs/dbraw/zinc/32/70/56/948327056.db2.gz BDBWDRUAAWRUTE-NWDGAFQWSA-N -1 3 390.473 0.337 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573446246 948327202 /nfs/dbraw/zinc/32/72/02/948327202.db2.gz BSYPQCQXLJQMJK-IUODEOHRSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573446246 948327213 /nfs/dbraw/zinc/32/72/13/948327213.db2.gz BSYPQCQXLJQMJK-IUODEOHRSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573446237 948327521 /nfs/dbraw/zinc/32/75/21/948327521.db2.gz BDBWDRUAAWRUTE-VXGBXAGGSA-N -1 3 390.473 0.337 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573446437 948328218 /nfs/dbraw/zinc/32/82/18/948328218.db2.gz GEGOLFFMKMKWSY-LSDHHAIUSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573446437 948328227 /nfs/dbraw/zinc/32/82/27/948328227.db2.gz GEGOLFFMKMKWSY-LSDHHAIUSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573446409 948328699 /nfs/dbraw/zinc/32/86/99/948328699.db2.gz DVSLWPLLUQCYHM-IINYFYTJSA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573446409 948328708 /nfs/dbraw/zinc/32/87/08/948328708.db2.gz DVSLWPLLUQCYHM-IINYFYTJSA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573446404 948329816 /nfs/dbraw/zinc/32/98/16/948329816.db2.gz DUNBQVACCVVUPK-IINYFYTJSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573446404 948329820 /nfs/dbraw/zinc/32/98/20/948329820.db2.gz DUNBQVACCVVUPK-IINYFYTJSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573446575 948330766 /nfs/dbraw/zinc/33/07/66/948330766.db2.gz JIKWMVNMTWFDIA-KDOFPFPSSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573446575 948330771 /nfs/dbraw/zinc/33/07/71/948330771.db2.gz JIKWMVNMTWFDIA-KDOFPFPSSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573696709 948331760 /nfs/dbraw/zinc/33/17/60/948331760.db2.gz WDEJCIHZULFVQE-GRZMOONWSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573696709 948331767 /nfs/dbraw/zinc/33/17/67/948331767.db2.gz WDEJCIHZULFVQE-GRZMOONWSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573696823 948334049 /nfs/dbraw/zinc/33/40/49/948334049.db2.gz XNECXHVEGRXQLV-ADLMAVQZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573696823 948334057 /nfs/dbraw/zinc/33/40/57/948334057.db2.gz XNECXHVEGRXQLV-ADLMAVQZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573696798 948334826 /nfs/dbraw/zinc/33/48/26/948334826.db2.gz XEMMRCWYFPHYDV-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573696798 948334832 /nfs/dbraw/zinc/33/48/32/948334832.db2.gz XEMMRCWYFPHYDV-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573446709 948335222 /nfs/dbraw/zinc/33/52/22/948335222.db2.gz NOTNERMOKODTKS-GFCCVEGCSA-N -1 3 392.489 0.537 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573446915 948337768 /nfs/dbraw/zinc/33/77/68/948337768.db2.gz RTWMTNBVOWUUQE-CQSZACIVSA-N -1 3 384.444 0.642 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573446915 948337776 /nfs/dbraw/zinc/33/77/76/948337776.db2.gz RTWMTNBVOWUUQE-CQSZACIVSA-N -1 3 384.444 0.642 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573446898 948337852 /nfs/dbraw/zinc/33/78/52/948337852.db2.gz RAZOMXYKEPVGFF-SWLSCSKDSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573446898 948337858 /nfs/dbraw/zinc/33/78/58/948337858.db2.gz RAZOMXYKEPVGFF-SWLSCSKDSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573696921 948338491 /nfs/dbraw/zinc/33/84/91/948338491.db2.gz ZYZPCBMEXQGANG-XIKOKIGWSA-N -1 3 383.412 0.716 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573696921 948338502 /nfs/dbraw/zinc/33/85/02/948338502.db2.gz ZYZPCBMEXQGANG-XIKOKIGWSA-N -1 3 383.412 0.716 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573446871 948338716 /nfs/dbraw/zinc/33/87/16/948338716.db2.gz QENUWRLEHUZWJO-XHDPSFHLSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573446871 948338727 /nfs/dbraw/zinc/33/87/27/948338727.db2.gz QENUWRLEHUZWJO-XHDPSFHLSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573447055 948339982 /nfs/dbraw/zinc/33/99/82/948339982.db2.gz SVNFETMBQWFSMH-DZGCQCFKSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573447055 948339986 /nfs/dbraw/zinc/33/99/86/948339986.db2.gz SVNFETMBQWFSMH-DZGCQCFKSA-N -1 3 384.444 0.533 20 0 GCADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)N(CCO)CCO ZINC000826458626 948342143 /nfs/dbraw/zinc/34/21/43/948342143.db2.gz YPGXDZWZJYLUFK-UHFFFAOYSA-N -1 3 392.807 0.524 20 0 GCADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)N(CCO)CCO ZINC000826458626 948342149 /nfs/dbraw/zinc/34/21/49/948342149.db2.gz YPGXDZWZJYLUFK-UHFFFAOYSA-N -1 3 392.807 0.524 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573703098 948352236 /nfs/dbraw/zinc/35/22/36/948352236.db2.gz HTDLULDIOSIPBQ-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573703098 948352247 /nfs/dbraw/zinc/35/22/47/948352247.db2.gz HTDLULDIOSIPBQ-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826463917 948357740 /nfs/dbraw/zinc/35/77/40/948357740.db2.gz ZYIFMLIDHWXQAL-UHFFFAOYSA-N -1 3 381.352 0.857 20 0 GCADHM O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826463917 948357746 /nfs/dbraw/zinc/35/77/46/948357746.db2.gz ZYIFMLIDHWXQAL-UHFFFAOYSA-N -1 3 381.352 0.857 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573703784 948359251 /nfs/dbraw/zinc/35/92/51/948359251.db2.gz MNOKJEQYCZZDAM-OCCSQVGLSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573703784 948359256 /nfs/dbraw/zinc/35/92/56/948359256.db2.gz MNOKJEQYCZZDAM-OCCSQVGLSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573704187 948367934 /nfs/dbraw/zinc/36/79/34/948367934.db2.gz QESYRZXLIPBGEM-JQWIXIFHSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573704187 948367941 /nfs/dbraw/zinc/36/79/41/948367941.db2.gz QESYRZXLIPBGEM-JQWIXIFHSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573704356 948371650 /nfs/dbraw/zinc/37/16/50/948371650.db2.gz ATVRFWOGYVBDMB-MNOVXSKESA-N -1 3 386.395 0.196 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573704356 948371657 /nfs/dbraw/zinc/37/16/57/948371657.db2.gz ATVRFWOGYVBDMB-MNOVXSKESA-N -1 3 386.395 0.196 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573704417 948371675 /nfs/dbraw/zinc/37/16/75/948371675.db2.gz RWHLURBHENSCBN-WFASDCNBSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573704610 948377797 /nfs/dbraw/zinc/37/77/97/948377797.db2.gz TXUILWUICRXOIT-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573704610 948377805 /nfs/dbraw/zinc/37/78/05/948377805.db2.gz TXUILWUICRXOIT-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM O=C1[C@@H](N2CCCS(=O)(=O)CC2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476361 948379980 /nfs/dbraw/zinc/37/99/80/948379980.db2.gz GCQNRLBCTLSCPA-HNNXBMFYSA-N -1 3 390.469 0.483 20 0 GCADHM O=C1[C@@H](N2CCCS(=O)(=O)CC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476361 948379989 /nfs/dbraw/zinc/37/99/89/948379989.db2.gz GCQNRLBCTLSCPA-HNNXBMFYSA-N -1 3 390.469 0.483 20 0 GCADHM O=C1[C@@H](N2CCN([C@@H]3CCOC3)CC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476437 948381874 /nfs/dbraw/zinc/38/18/74/948381874.db2.gz HUUILNCAYRRDHP-MSOLQXFVSA-N -1 3 397.483 0.769 20 0 GCADHM O=C1OCC[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476649 948384130 /nfs/dbraw/zinc/38/41/30/948384130.db2.gz LSLHQZNPBSJYTK-CVEARBPZSA-N -1 3 397.439 0.889 20 0 GCADHM O=C1OCC[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476649 948384142 /nfs/dbraw/zinc/38/41/42/948384142.db2.gz LSLHQZNPBSJYTK-CVEARBPZSA-N -1 3 397.439 0.889 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)C(F)(F)F ZINC001573704943 948387632 /nfs/dbraw/zinc/38/76/32/948387632.db2.gz CAQZGUHRBOBTNX-UWVGGRQHSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)C(F)(F)F ZINC001573704943 948387634 /nfs/dbraw/zinc/38/76/34/948387634.db2.gz CAQZGUHRBOBTNX-UWVGGRQHSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573705041 948389168 /nfs/dbraw/zinc/38/91/68/948389168.db2.gz FQQWEPIMJFZJTD-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573705041 948389176 /nfs/dbraw/zinc/38/91/76/948389176.db2.gz FQQWEPIMJFZJTD-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)N1CCNC(=O)C1 ZINC000826481433 948394021 /nfs/dbraw/zinc/39/40/21/948394021.db2.gz UOEUCHLUBQAGIB-UHFFFAOYSA-N -1 3 387.791 0.670 20 0 GCADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)N1CCNC(=O)C1 ZINC000826481433 948394026 /nfs/dbraw/zinc/39/40/26/948394026.db2.gz UOEUCHLUBQAGIB-UHFFFAOYSA-N -1 3 387.791 0.670 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1)n1cncn1 ZINC001573705368 948398085 /nfs/dbraw/zinc/39/80/85/948398085.db2.gz HNVHQXCNKFCVEC-FZMZJTMJSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)c1ccco1 ZINC001573705566 948403765 /nfs/dbraw/zinc/40/37/65/948403765.db2.gz GBLQOAWBQKESFM-OLZOCXBDSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)c1ccco1 ZINC001573705566 948403769 /nfs/dbraw/zinc/40/37/69/948403769.db2.gz GBLQOAWBQKESFM-OLZOCXBDSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)C(C)(F)F ZINC001573705608 948404332 /nfs/dbraw/zinc/40/43/32/948404332.db2.gz GJCZFUGYUDTIEL-JQWIXIFHSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)C(C)(F)F ZINC001573705608 948404337 /nfs/dbraw/zinc/40/43/37/948404337.db2.gz GJCZFUGYUDTIEL-JQWIXIFHSA-N -1 3 381.387 0.874 20 0 GCADHM O=S(=O)(N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826495786 948409805 /nfs/dbraw/zinc/40/98/05/948409805.db2.gz BDYWYJQTCAEDRW-GFCCVEGCSA-N -1 3 392.422 0.069 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573706423 948418597 /nfs/dbraw/zinc/41/85/97/948418597.db2.gz KOGOOJVMZRXNLX-CHWSQXEVSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573706423 948418607 /nfs/dbraw/zinc/41/86/07/948418607.db2.gz KOGOOJVMZRXNLX-CHWSQXEVSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC001573706758 948424520 /nfs/dbraw/zinc/42/45/20/948424520.db2.gz LENBHZMBDLFEQS-GXSJLCMTSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC001573706758 948424524 /nfs/dbraw/zinc/42/45/24/948424524.db2.gz LENBHZMBDLFEQS-GXSJLCMTSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573707222 948430146 /nfs/dbraw/zinc/43/01/46/948430146.db2.gz NEEYFWGNLOVICW-LBPRGKRZSA-N -1 3 382.432 0.813 20 0 GCADHM C[C@@H](C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573707222 948430153 /nfs/dbraw/zinc/43/01/53/948430153.db2.gz NEEYFWGNLOVICW-LBPRGKRZSA-N -1 3 382.432 0.813 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)C(F)(F)F ZINC001573707579 948436037 /nfs/dbraw/zinc/43/60/37/948436037.db2.gz OOCIUWABOQIZQL-GXSJLCMTSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)C(F)(F)F ZINC001573707579 948436039 /nfs/dbraw/zinc/43/60/39/948436039.db2.gz OOCIUWABOQIZQL-GXSJLCMTSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NCC1CCN(c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573708145 948445192 /nfs/dbraw/zinc/44/51/92/948445192.db2.gz RWJRNNGHNDKIIP-LBPRGKRZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NCC1CCN(c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573708145 948445197 /nfs/dbraw/zinc/44/51/97/948445197.db2.gz RWJRNNGHNDKIIP-LBPRGKRZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573708290 948446095 /nfs/dbraw/zinc/44/60/95/948446095.db2.gz SUAFQRJVHFWJLP-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573708290 948446099 /nfs/dbraw/zinc/44/60/99/948446099.db2.gz SUAFQRJVHFWJLP-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573708289 948446110 /nfs/dbraw/zinc/44/61/10/948446110.db2.gz SUAFQRJVHFWJLP-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573708289 948446114 /nfs/dbraw/zinc/44/61/14/948446114.db2.gz SUAFQRJVHFWJLP-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)C(F)(F)F ZINC001573708314 948448322 /nfs/dbraw/zinc/44/83/22/948448322.db2.gz UCHOGLWPDVCKFN-KOLCDFICSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)C(F)(F)F ZINC001573708314 948448328 /nfs/dbraw/zinc/44/83/28/948448328.db2.gz UCHOGLWPDVCKFN-KOLCDFICSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573708479 948451321 /nfs/dbraw/zinc/45/13/21/948451321.db2.gz VGBWMCFKGWBYQP-JQWIXIFHSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573708479 948451324 /nfs/dbraw/zinc/45/13/24/948451324.db2.gz VGBWMCFKGWBYQP-JQWIXIFHSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)C(C)(F)F ZINC001573708518 948451335 /nfs/dbraw/zinc/45/13/35/948451335.db2.gz WBECHUGSPHUWSU-ZYHUDNBSSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)C(C)(F)F ZINC001573708518 948451340 /nfs/dbraw/zinc/45/13/40/948451340.db2.gz WBECHUGSPHUWSU-ZYHUDNBSSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573708552 948453994 /nfs/dbraw/zinc/45/39/94/948453994.db2.gz VQIDCBYDAJMGRV-DGCLKSJQSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573708552 948453998 /nfs/dbraw/zinc/45/39/98/948453998.db2.gz VQIDCBYDAJMGRV-DGCLKSJQSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1)C1CC1 ZINC001573708840 948460447 /nfs/dbraw/zinc/46/04/47/948460447.db2.gz YLICVUPSMFBJID-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1)C1CC1 ZINC001573708840 948460451 /nfs/dbraw/zinc/46/04/51/948460451.db2.gz YLICVUPSMFBJID-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1)C1CC1 ZINC001573708859 948461249 /nfs/dbraw/zinc/46/12/49/948461249.db2.gz XYJUHSFZZOGQCS-MFKMUULPSA-N -1 3 375.408 0.768 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1)C1CC1 ZINC001573708859 948461252 /nfs/dbraw/zinc/46/12/52/948461252.db2.gz XYJUHSFZZOGQCS-MFKMUULPSA-N -1 3 375.408 0.768 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)[C@H]1CCCO1 ZINC001573714705 948474841 /nfs/dbraw/zinc/47/48/41/948474841.db2.gz JBNSATVHQFNLTK-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)[C@H]1CCCO1 ZINC001573714705 948474845 /nfs/dbraw/zinc/47/48/45/948474845.db2.gz JBNSATVHQFNLTK-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)[C@@H]1CCCO1 ZINC001573714702 948475087 /nfs/dbraw/zinc/47/50/87/948475087.db2.gz JBNSATVHQFNLTK-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)[C@@H]1CCCO1 ZINC001573714702 948475090 /nfs/dbraw/zinc/47/50/90/948475090.db2.gz JBNSATVHQFNLTK-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573715307 948488037 /nfs/dbraw/zinc/48/80/37/948488037.db2.gz SZWBWYFEJPQSSE-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573715307 948488039 /nfs/dbraw/zinc/48/80/39/948488039.db2.gz SZWBWYFEJPQSSE-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM O=S(=O)(N[C@H](CO)c1cccnc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001212492876 948493151 /nfs/dbraw/zinc/49/31/51/948493151.db2.gz SOGNNZVSORTPDJ-CYBMUJFWSA-N -1 3 380.817 0.927 20 0 GCADHM O=S(=O)(N[C@H](CO)c1cccnc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001212492876 948493155 /nfs/dbraw/zinc/49/31/55/948493155.db2.gz SOGNNZVSORTPDJ-CYBMUJFWSA-N -1 3 380.817 0.927 20 0 GCADHM COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001305733656 948502222 /nfs/dbraw/zinc/50/22/22/948502222.db2.gz WIPNIXGPQMMRLT-HNNXBMFYSA-N -1 3 380.364 0.707 20 0 GCADHM COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001305733656 948502229 /nfs/dbraw/zinc/50/22/29/948502229.db2.gz WIPNIXGPQMMRLT-HNNXBMFYSA-N -1 3 380.364 0.707 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573717151 948507012 /nfs/dbraw/zinc/50/70/12/948507012.db2.gz CEDASZIYYABDKY-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573717151 948507015 /nfs/dbraw/zinc/50/70/15/948507015.db2.gz CEDASZIYYABDKY-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCC(=O)N1 ZINC001573718733 948519476 /nfs/dbraw/zinc/51/94/76/948519476.db2.gz JSSIMLVQBDMZQV-SKDRFNHKSA-N -1 3 392.851 0.382 20 0 GCADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCC(=O)N1 ZINC001573718733 948519485 /nfs/dbraw/zinc/51/94/85/948519485.db2.gz JSSIMLVQBDMZQV-SKDRFNHKSA-N -1 3 392.851 0.382 20 0 GCADHM C[C@@H](C(=O)NCCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573719159 948521931 /nfs/dbraw/zinc/52/19/31/948521931.db2.gz KHHZZFPKACJBHY-NSHDSACASA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NCCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573719159 948521936 /nfs/dbraw/zinc/52/19/36/948521936.db2.gz KHHZZFPKACJBHY-NSHDSACASA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573719250 948524785 /nfs/dbraw/zinc/52/47/85/948524785.db2.gz MCFOZDBZSKPZHN-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573719250 948524793 /nfs/dbraw/zinc/52/47/93/948524793.db2.gz MCFOZDBZSKPZHN-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573719714 948528720 /nfs/dbraw/zinc/52/87/20/948528720.db2.gz OAZKBEQCLDNLQN-LBPRGKRZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573719714 948528724 /nfs/dbraw/zinc/52/87/24/948528724.db2.gz OAZKBEQCLDNLQN-LBPRGKRZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573720715 948534221 /nfs/dbraw/zinc/53/42/21/948534221.db2.gz SEUOGVRMAWDXDK-GFCCVEGCSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573720715 948534228 /nfs/dbraw/zinc/53/42/28/948534228.db2.gz SEUOGVRMAWDXDK-GFCCVEGCSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ncc(-c2nnn[n-]2)cc1F)C1CC1)n1cccn1 ZINC001573720632 948534900 /nfs/dbraw/zinc/53/49/00/948534900.db2.gz QYOWAEQKPHNDEF-NSHDSACASA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ncc(-c2nn[n-]n2)cc1F)C1CC1)n1cccn1 ZINC001573720632 948534908 /nfs/dbraw/zinc/53/49/08/948534908.db2.gz QYOWAEQKPHNDEF-NSHDSACASA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1)c1cnn(C)c1 ZINC001573721307 948539822 /nfs/dbraw/zinc/53/98/22/948539822.db2.gz WWDIJOSRCAPLCQ-LBPRGKRZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1)c1cnn(C)c1 ZINC001573721307 948539824 /nfs/dbraw/zinc/53/98/24/948539824.db2.gz WWDIJOSRCAPLCQ-LBPRGKRZSA-N -1 3 381.444 0.884 20 0 GCADHM CN(CC(=O)Nc1cc(-c2nnn[n-]2)ccc1F)S(=O)(=O)c1cccnc1 ZINC001528093453 948540471 /nfs/dbraw/zinc/54/04/71/948540471.db2.gz JSXLDATUEJHGBV-UHFFFAOYSA-N -1 3 391.388 0.660 20 0 GCADHM CN(CC(=O)Nc1cc(-c2nn[n-]n2)ccc1F)S(=O)(=O)c1cccnc1 ZINC001528093453 948540480 /nfs/dbraw/zinc/54/04/80/948540480.db2.gz JSXLDATUEJHGBV-UHFFFAOYSA-N -1 3 391.388 0.660 20 0 GCADHM CN1C(=O)CO[C@H](C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccnc1 ZINC001539569486 948548474 /nfs/dbraw/zinc/54/84/74/948548474.db2.gz KWCFATNACMTKCU-CVEARBPZSA-N -1 3 379.380 0.799 20 0 GCADHM CN1C(=O)CO[C@H](C(=O)Nc2cccc(-c3nn[n-]n3)c2)[C@H]1c1cccnc1 ZINC001539569486 948548478 /nfs/dbraw/zinc/54/84/78/948548478.db2.gz KWCFATNACMTKCU-CVEARBPZSA-N -1 3 379.380 0.799 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573726745 948551633 /nfs/dbraw/zinc/55/16/33/948551633.db2.gz JXSZCXKDQGYBHE-GMXVVIOVSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573726745 948551640 /nfs/dbraw/zinc/55/16/40/948551640.db2.gz JXSZCXKDQGYBHE-GMXVVIOVSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573728435 948561646 /nfs/dbraw/zinc/56/16/46/948561646.db2.gz FHHPRDXINOTFSN-HKUMRIAESA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573728435 948561654 /nfs/dbraw/zinc/56/16/54/948561654.db2.gz FHHPRDXINOTFSN-HKUMRIAESA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573728715 948563206 /nfs/dbraw/zinc/56/32/06/948563206.db2.gz QOSFOLOMODXOQU-JBLDHEPKSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573728715 948563216 /nfs/dbraw/zinc/56/32/16/948563216.db2.gz QOSFOLOMODXOQU-JBLDHEPKSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573730000 948572803 /nfs/dbraw/zinc/57/28/03/948572803.db2.gz XOQFRJDHUSJDSO-FJJYHAOUSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573730000 948572805 /nfs/dbraw/zinc/57/28/05/948572805.db2.gz XOQFRJDHUSJDSO-FJJYHAOUSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)c1ccnn1C ZINC001573731561 948592831 /nfs/dbraw/zinc/59/28/31/948592831.db2.gz GTIDYNHPROOWFJ-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)c1ccnn1C ZINC001573731561 948592837 /nfs/dbraw/zinc/59/28/37/948592837.db2.gz GTIDYNHPROOWFJ-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573736026 948610696 /nfs/dbraw/zinc/61/06/96/948610696.db2.gz ATVYJNHXQJPXKQ-IACUBPJLSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573736026 948610699 /nfs/dbraw/zinc/61/06/99/948610699.db2.gz ATVYJNHXQJPXKQ-IACUBPJLSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573736275 948614939 /nfs/dbraw/zinc/61/49/39/948614939.db2.gz MIVGCLOGLZOEGO-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573736275 948614944 /nfs/dbraw/zinc/61/49/44/948614944.db2.gz MIVGCLOGLZOEGO-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573736455 948615915 /nfs/dbraw/zinc/61/59/15/948615915.db2.gz VLSSNWSPQCSZID-RAIGVLPGSA-N -1 3 393.473 0.534 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573736455 948615919 /nfs/dbraw/zinc/61/59/19/948615919.db2.gz VLSSNWSPQCSZID-RAIGVLPGSA-N -1 3 393.473 0.534 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)C(F)(F)F ZINC001573739733 948622070 /nfs/dbraw/zinc/62/20/70/948622070.db2.gz ADJUMADKDKIQLN-BCMRRPTOSA-N -1 3 388.325 0.870 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)C(F)(F)F ZINC001573739733 948622078 /nfs/dbraw/zinc/62/20/78/948622078.db2.gz ADJUMADKDKIQLN-BCMRRPTOSA-N -1 3 388.325 0.870 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C)S(C)(=O)=O ZINC001573739839 948623862 /nfs/dbraw/zinc/62/38/62/948623862.db2.gz BZAPZUDYPORRRO-CKYFFXLPSA-N -1 3 398.514 0.298 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C(C)(C)C ZINC001573739806 948624141 /nfs/dbraw/zinc/62/41/41/948624141.db2.gz ARWJPVKCSWSFTM-WQAKAFBOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C(C)(C)C ZINC001573739806 948624145 /nfs/dbraw/zinc/62/41/45/948624145.db2.gz ARWJPVKCSWSFTM-WQAKAFBOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1cccnc1 ZINC001573739956 948625664 /nfs/dbraw/zinc/62/56/64/948625664.db2.gz JAWHNVQKPAOKQG-GLQYFDAESA-N -1 3 380.412 0.126 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1cccnc1 ZINC001573739956 948625669 /nfs/dbraw/zinc/62/56/69/948625669.db2.gz JAWHNVQKPAOKQG-GLQYFDAESA-N -1 3 380.412 0.126 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)n1cccn1 ZINC001573740151 948629375 /nfs/dbraw/zinc/62/93/75/948629375.db2.gz GDBUYNOQRSRIFV-QKCSRTOESA-N -1 3 386.391 0.129 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)n1cccn1 ZINC001573740151 948629378 /nfs/dbraw/zinc/62/93/78/948629378.db2.gz GDBUYNOQRSRIFV-QKCSRTOESA-N -1 3 386.391 0.129 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)n1cccn1 ZINC001573740946 948647460 /nfs/dbraw/zinc/64/74/60/948647460.db2.gz QWPZRJFSZRAMDT-RAIGVLPGSA-N -1 3 388.457 0.047 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)n1cccn1 ZINC001573740946 948647466 /nfs/dbraw/zinc/64/74/66/948647466.db2.gz QWPZRJFSZRAMDT-RAIGVLPGSA-N -1 3 388.457 0.047 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C1CCCC1 ZINC001573741039 948648350 /nfs/dbraw/zinc/64/83/50/948648350.db2.gz RMCWTKWJRBXXEK-KMUNFCNLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C1CCCC1 ZINC001573741039 948648354 /nfs/dbraw/zinc/64/83/54/948648354.db2.gz RMCWTKWJRBXXEK-KMUNFCNLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)c1ccco1 ZINC001573741138 948650511 /nfs/dbraw/zinc/65/05/11/948650511.db2.gz TUEUTGZHCZBHSQ-CYZMBNFOSA-N -1 3 388.453 0.986 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)c1ccco1 ZINC001573741138 948650517 /nfs/dbraw/zinc/65/05/17/948650517.db2.gz TUEUTGZHCZBHSQ-CYZMBNFOSA-N -1 3 388.453 0.986 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C1CCCC1 ZINC001573741514 948653739 /nfs/dbraw/zinc/65/37/39/948653739.db2.gz YBSPIFAXJDAENA-COLVAYQJSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C1CCCC1 ZINC001573741514 948653745 /nfs/dbraw/zinc/65/37/45/948653745.db2.gz YBSPIFAXJDAENA-COLVAYQJSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C)n1cccc1 ZINC001573741578 948655674 /nfs/dbraw/zinc/65/56/74/948655674.db2.gz DGUPASANUWWPGN-DYEKYZERSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C)n1cccc1 ZINC001573741578 948655678 /nfs/dbraw/zinc/65/56/78/948655678.db2.gz DGUPASANUWWPGN-DYEKYZERSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573743105 948665719 /nfs/dbraw/zinc/66/57/19/948665719.db2.gz WYZHQSNUHFYIEJ-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573743105 948665723 /nfs/dbraw/zinc/66/57/23/948665723.db2.gz WYZHQSNUHFYIEJ-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573743106 948666281 /nfs/dbraw/zinc/66/62/81/948666281.db2.gz WYZHQSNUHFYIEJ-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573743106 948666283 /nfs/dbraw/zinc/66/62/83/948666283.db2.gz WYZHQSNUHFYIEJ-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H](C)n1cncn1 ZINC001573743162 948667220 /nfs/dbraw/zinc/66/72/20/948667220.db2.gz ZSOXXAXXNPPQBB-RKDXNWHRSA-N -1 3 376.812 0.684 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H](C)n1cncn1 ZINC001573743162 948667223 /nfs/dbraw/zinc/66/72/23/948667223.db2.gz ZSOXXAXXNPPQBB-RKDXNWHRSA-N -1 3 376.812 0.684 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573745470 948671136 /nfs/dbraw/zinc/67/11/36/948671136.db2.gz CJCJGFVMQLCWTB-OXHZDVMGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573745470 948671138 /nfs/dbraw/zinc/67/11/38/948671138.db2.gz CJCJGFVMQLCWTB-OXHZDVMGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573745893 948675300 /nfs/dbraw/zinc/67/53/00/948675300.db2.gz GMOTWXLFOXTLMD-MNXVOIDGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573745893 948675305 /nfs/dbraw/zinc/67/53/05/948675305.db2.gz GMOTWXLFOXTLMD-MNXVOIDGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573746087 948678753 /nfs/dbraw/zinc/67/87/53/948678753.db2.gz JCKDFBBWKQVWIX-WQAKAFBOSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573746087 948678759 /nfs/dbraw/zinc/67/87/59/948678759.db2.gz JCKDFBBWKQVWIX-WQAKAFBOSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573746370 948680632 /nfs/dbraw/zinc/68/06/32/948680632.db2.gz JDLRVDDQUWBGHN-XDTLVQLUSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573746370 948680633 /nfs/dbraw/zinc/68/06/33/948680633.db2.gz JDLRVDDQUWBGHN-XDTLVQLUSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573746389 948680870 /nfs/dbraw/zinc/68/08/70/948680870.db2.gz JPZNBJURCUWMID-DLOVCJGASA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573746389 948680875 /nfs/dbraw/zinc/68/08/75/948680875.db2.gz JPZNBJURCUWMID-DLOVCJGASA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573746399 948681058 /nfs/dbraw/zinc/68/10/58/948681058.db2.gz LJLRRBMSZRPMCU-TVYUQYBPSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573746399 948681061 /nfs/dbraw/zinc/68/10/61/948681061.db2.gz LJLRRBMSZRPMCU-TVYUQYBPSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573746518 948682785 /nfs/dbraw/zinc/68/27/85/948682785.db2.gz NMYDGHVCMJNNFT-LEWSCRJBSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573746518 948682791 /nfs/dbraw/zinc/68/27/91/948682791.db2.gz NMYDGHVCMJNNFT-LEWSCRJBSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573747408 948691389 /nfs/dbraw/zinc/69/13/89/948691389.db2.gz OVBYPNXVRCDZEF-GMTAPVOTSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573747408 948691396 /nfs/dbraw/zinc/69/13/96/948691396.db2.gz OVBYPNXVRCDZEF-GMTAPVOTSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573747488 948692462 /nfs/dbraw/zinc/69/24/62/948692462.db2.gz VUVNKYPDSWNLKA-LEWSCRJBSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573747488 948692466 /nfs/dbraw/zinc/69/24/66/948692466.db2.gz VUVNKYPDSWNLKA-LEWSCRJBSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)[C@H]1CCC(=O)N1 ZINC001573749342 948699406 /nfs/dbraw/zinc/69/94/06/948699406.db2.gz YOAZXZLOBGBDJR-GMTLJSCSSA-N -1 3 388.407 0.375 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)[C@H]1CCC(=O)N1 ZINC001573749342 948699412 /nfs/dbraw/zinc/69/94/12/948699412.db2.gz YOAZXZLOBGBDJR-GMTLJSCSSA-N -1 3 388.407 0.375 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)n1cccc1 ZINC001573751834 948704735 /nfs/dbraw/zinc/70/47/35/948704735.db2.gz FEZMXGMZGBHZPM-UUIJZJDISA-N -1 3 380.412 0.444 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)n1cccc1 ZINC001573751834 948704741 /nfs/dbraw/zinc/70/47/41/948704741.db2.gz FEZMXGMZGBHZPM-UUIJZJDISA-N -1 3 380.412 0.444 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)C(F)(F)F ZINC001573751999 948709114 /nfs/dbraw/zinc/70/91/14/948709114.db2.gz JSKUTBIFJFLAEM-CNABLZDZSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)C(F)(F)F ZINC001573751999 948709119 /nfs/dbraw/zinc/70/91/19/948709119.db2.gz JSKUTBIFJFLAEM-CNABLZDZSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)c1ccco1 ZINC001573751956 948709299 /nfs/dbraw/zinc/70/92/99/948709299.db2.gz IRMMPNBGDFHJGS-KIGUWFBYSA-N -1 3 381.396 0.778 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)c1ccco1 ZINC001573751956 948709303 /nfs/dbraw/zinc/70/93/03/948709303.db2.gz IRMMPNBGDFHJGS-KIGUWFBYSA-N -1 3 381.396 0.778 20 0 GCADHM CC(C)c1ccc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001574416514 948750405 /nfs/dbraw/zinc/75/04/05/948750405.db2.gz WGSUNPMMKOVMIM-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)c1ccc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001574416514 948750418 /nfs/dbraw/zinc/75/04/18/948750418.db2.gz WGSUNPMMKOVMIM-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)c1cc(NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)ncn1 ZINC001574416623 948752204 /nfs/dbraw/zinc/75/22/04/948752204.db2.gz ZWNYGBMBWIBDCU-UHFFFAOYSA-N -1 3 385.432 0.655 20 0 GCADHM CC(C)c1cc(NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)ncn1 ZINC001574416623 948752216 /nfs/dbraw/zinc/75/22/16/948752216.db2.gz ZWNYGBMBWIBDCU-UHFFFAOYSA-N -1 3 385.432 0.655 20 0 GCADHM C[C@H](CNC(=O)CCc1ccccn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574915040 948760002 /nfs/dbraw/zinc/76/00/02/948760002.db2.gz PLGMSLNBGMDLLT-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)CCc1ccccn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574915040 948760012 /nfs/dbraw/zinc/76/00/12/948760012.db2.gz PLGMSLNBGMDLLT-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001575223229 948761289 /nfs/dbraw/zinc/76/12/89/948761289.db2.gz LRXVNOQFGXVJIM-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001575223229 948761296 /nfs/dbraw/zinc/76/12/96/948761296.db2.gz LRXVNOQFGXVJIM-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573755301 948761445 /nfs/dbraw/zinc/76/14/45/948761445.db2.gz OJSSUPCAAQKGOO-MRVPVSSYSA-N -1 3 387.429 0.093 20 0 GCADHM C[C@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573755301 948761454 /nfs/dbraw/zinc/76/14/54/948761454.db2.gz OJSSUPCAAQKGOO-MRVPVSSYSA-N -1 3 387.429 0.093 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001575223287 948761949 /nfs/dbraw/zinc/76/19/49/948761949.db2.gz MTJAIEKVLMPRME-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001575223287 948761955 /nfs/dbraw/zinc/76/19/55/948761955.db2.gz MTJAIEKVLMPRME-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001574079113 948763687 /nfs/dbraw/zinc/76/36/87/948763687.db2.gz ABYGTDFJOUGZAK-DGCLKSJQSA-N -1 3 381.387 0.716 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001574079113 948763695 /nfs/dbraw/zinc/76/36/95/948763695.db2.gz ABYGTDFJOUGZAK-DGCLKSJQSA-N -1 3 381.387 0.716 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574915432 948764689 /nfs/dbraw/zinc/76/46/89/948764689.db2.gz TZISBBHEVWNNNL-JTQLQIEISA-N -1 3 384.400 0.163 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574915432 948764698 /nfs/dbraw/zinc/76/46/98/948764698.db2.gz TZISBBHEVWNNNL-JTQLQIEISA-N -1 3 384.400 0.163 20 0 GCADHM CC(F)(F)C1(C(=O)NCC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001575223357 948764801 /nfs/dbraw/zinc/76/48/01/948764801.db2.gz OEGPEMPJQNGPRV-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM CC(F)(F)C1(C(=O)NCC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001575223357 948764816 /nfs/dbraw/zinc/76/48/16/948764816.db2.gz OEGPEMPJQNGPRV-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575223877 948770733 /nfs/dbraw/zinc/77/07/33/948770733.db2.gz HLGIUSOZSBXLAU-MRXNPFEDSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575223877 948770749 /nfs/dbraw/zinc/77/07/49/948770749.db2.gz HLGIUSOZSBXLAU-MRXNPFEDSA-N -1 3 381.387 0.755 20 0 GCADHM CC(C)c1cccc(C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574418136 948773121 /nfs/dbraw/zinc/77/31/21/948773121.db2.gz SJOLOGARBJJOSU-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)c1cccc(C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574418136 948773135 /nfs/dbraw/zinc/77/31/35/948773135.db2.gz SJOLOGARBJJOSU-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)c1cccc(C(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574418484 948777644 /nfs/dbraw/zinc/77/76/44/948777644.db2.gz WZVNZMOVOWHLKG-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)c1cccc(C(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574418484 948777654 /nfs/dbraw/zinc/77/76/54/948777654.db2.gz WZVNZMOVOWHLKG-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(F)(F)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575224333 948782282 /nfs/dbraw/zinc/78/22/82/948782282.db2.gz UEGCSRODQNPMHR-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM CC(F)(F)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575224333 948782295 /nfs/dbraw/zinc/78/22/95/948782295.db2.gz UEGCSRODQNPMHR-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574916683 948787256 /nfs/dbraw/zinc/78/72/56/948787256.db2.gz HJDRTYDMYQRWNS-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574916683 948787274 /nfs/dbraw/zinc/78/72/74/948787274.db2.gz HJDRTYDMYQRWNS-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574916800 948790881 /nfs/dbraw/zinc/79/08/81/948790881.db2.gz JRUPHVTXQYGBHH-VIFPVBQESA-N -1 3 390.839 0.593 20 0 GCADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574916800 948790891 /nfs/dbraw/zinc/79/08/91/948790891.db2.gz JRUPHVTXQYGBHH-VIFPVBQESA-N -1 3 390.839 0.593 20 0 GCADHM C[C@@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573756002 948795003 /nfs/dbraw/zinc/79/50/03/948795003.db2.gz VVCVXLXDPDSGAQ-QMMMGPOBSA-N -1 3 387.429 0.093 20 0 GCADHM C[C@@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573756002 948795010 /nfs/dbraw/zinc/79/50/10/948795010.db2.gz VVCVXLXDPDSGAQ-QMMMGPOBSA-N -1 3 387.429 0.093 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN([S@](C)(=N)=O)CC1 ZINC001573755988 948795173 /nfs/dbraw/zinc/79/51/73/948795173.db2.gz KSSNSXGILRIBBR-QYOLQKOISA-N -1 3 378.462 0.403 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([S@](C)(=N)=O)CC1 ZINC001573755988 948795184 /nfs/dbraw/zinc/79/51/84/948795184.db2.gz KSSNSXGILRIBBR-QYOLQKOISA-N -1 3 378.462 0.403 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1C[C@@H](O)[C@H](CO)C1 ZINC001573756074 948798078 /nfs/dbraw/zinc/79/80/78/948798078.db2.gz WRGPLUUDAPKHBG-WCABBAIRSA-N -1 3 378.458 0.029 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1C[C@@H](O)[C@H](CO)C1 ZINC001573756074 948798087 /nfs/dbraw/zinc/79/80/87/948798087.db2.gz WRGPLUUDAPKHBG-WCABBAIRSA-N -1 3 378.458 0.029 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575225126 948798331 /nfs/dbraw/zinc/79/83/31/948798331.db2.gz WVFXQICGBJJRSK-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575225126 948798338 /nfs/dbraw/zinc/79/83/38/948798338.db2.gz WVFXQICGBJJRSK-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(C)CCS(N)(=O)=O ZINC001573756204 948800817 /nfs/dbraw/zinc/80/08/17/948800817.db2.gz NWQMXRDTRBTXLJ-MRVPVSSYSA-N -1 3 387.853 0.067 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(C)CCS(N)(=O)=O ZINC001573756204 948800831 /nfs/dbraw/zinc/80/08/31/948800831.db2.gz NWQMXRDTRBTXLJ-MRVPVSSYSA-N -1 3 387.853 0.067 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001574080806 948803702 /nfs/dbraw/zinc/80/37/02/948803702.db2.gz NRPJSBOUQHWKOG-QLFBSQMISA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001574080806 948803718 /nfs/dbraw/zinc/80/37/18/948803718.db2.gz NRPJSBOUQHWKOG-QLFBSQMISA-N -1 3 380.399 0.661 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917100 948805713 /nfs/dbraw/zinc/80/57/13/948805713.db2.gz QWIDCVYVMHPHEE-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917100 948805733 /nfs/dbraw/zinc/80/57/33/948805733.db2.gz QWIDCVYVMHPHEE-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574080792 948805999 /nfs/dbraw/zinc/80/59/99/948805999.db2.gz NNOIAYSSAOGEPW-HNNXBMFYSA-N -1 3 391.455 0.279 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574080792 948806013 /nfs/dbraw/zinc/80/60/13/948806013.db2.gz NNOIAYSSAOGEPW-HNNXBMFYSA-N -1 3 391.455 0.279 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@H](O)[C@H](CO)C1 ZINC001573756297 948807127 /nfs/dbraw/zinc/80/71/27/948807127.db2.gz YSJPKYOQNVRMFT-SCVCMEIPSA-N -1 3 392.485 0.419 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@H](O)[C@H](CO)C1 ZINC001573756297 948807145 /nfs/dbraw/zinc/80/71/45/948807145.db2.gz YSJPKYOQNVRMFT-SCVCMEIPSA-N -1 3 392.485 0.419 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917144 948808155 /nfs/dbraw/zinc/80/81/55/948808155.db2.gz RYKUWPXMPWNRLB-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917144 948808171 /nfs/dbraw/zinc/80/81/71/948808171.db2.gz RYKUWPXMPWNRLB-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)C1(CO)CC=CC1 ZINC001574081021 948809369 /nfs/dbraw/zinc/80/93/69/948809369.db2.gz WSZLWPYBCWPZDA-CQSZACIVSA-N -1 3 378.458 0.893 20 0 GCADHM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)C1(CO)CC=CC1 ZINC001574081021 948809388 /nfs/dbraw/zinc/80/93/88/948809388.db2.gz WSZLWPYBCWPZDA-CQSZACIVSA-N -1 3 378.458 0.893 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001574421131 948813771 /nfs/dbraw/zinc/81/37/71/948813771.db2.gz HPAGCWHKPHPWIN-ZIAGYGMSSA-N -1 3 383.412 0.958 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001574421131 948813795 /nfs/dbraw/zinc/81/37/95/948813795.db2.gz HPAGCWHKPHPWIN-ZIAGYGMSSA-N -1 3 383.412 0.958 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917229 948814141 /nfs/dbraw/zinc/81/41/41/948814141.db2.gz UUFQAWQIEICKQW-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917229 948814159 /nfs/dbraw/zinc/81/41/59/948814159.db2.gz UUFQAWQIEICKQW-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574081198 948822144 /nfs/dbraw/zinc/82/21/44/948822144.db2.gz QYJFFUUZPJFOTP-AWEZNQCLSA-N -1 3 392.439 0.063 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574081198 948822156 /nfs/dbraw/zinc/82/21/56/948822156.db2.gz QYJFFUUZPJFOTP-AWEZNQCLSA-N -1 3 392.439 0.063 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574422277 948829648 /nfs/dbraw/zinc/82/96/48/948829648.db2.gz YHIASJKQTVWTHR-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574422277 948829664 /nfs/dbraw/zinc/82/96/64/948829664.db2.gz YHIASJKQTVWTHR-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(F)(F)CC(=O)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575227373 948830115 /nfs/dbraw/zinc/83/01/15/948830115.db2.gz VKTXGMIQBVTYKV-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)CC(=O)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575227373 948830129 /nfs/dbraw/zinc/83/01/29/948830129.db2.gz VKTXGMIQBVTYKV-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574917976 948830269 /nfs/dbraw/zinc/83/02/69/948830269.db2.gz DUANJVCOMDFIGG-LLVKDONJSA-N -1 3 381.462 0.027 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574917976 948830294 /nfs/dbraw/zinc/83/02/94/948830294.db2.gz DUANJVCOMDFIGG-LLVKDONJSA-N -1 3 381.462 0.027 20 0 GCADHM C[C@@H](CNC(=O)CCCc1ccccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917949 948831407 /nfs/dbraw/zinc/83/14/07/948831407.db2.gz CZPRNLFBFAQFSD-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)CCCc1ccccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917949 948831423 /nfs/dbraw/zinc/83/14/23/948831423.db2.gz CZPRNLFBFAQFSD-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001574081548 948832260 /nfs/dbraw/zinc/83/22/60/948832260.db2.gz UIPBKRQRCFBVCL-CQSZACIVSA-N -1 3 391.455 0.065 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574081548 948832278 /nfs/dbraw/zinc/83/22/78/948832278.db2.gz UIPBKRQRCFBVCL-CQSZACIVSA-N -1 3 391.455 0.065 20 0 GCADHM CC(C)c1cnc(CN2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001574424042 948839169 /nfs/dbraw/zinc/83/91/69/948839169.db2.gz BZFHXCPHWJKSIS-UHFFFAOYSA-N -1 3 386.416 0.283 20 0 GCADHM CC(C)c1cnc(CN2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001574424042 948839177 /nfs/dbraw/zinc/83/91/77/948839177.db2.gz BZFHXCPHWJKSIS-UHFFFAOYSA-N -1 3 386.416 0.283 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001575229340 948845074 /nfs/dbraw/zinc/84/50/74/948845074.db2.gz IJUYKMFKWUJVNO-CHWSQXEVSA-N -1 3 384.362 0.712 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001575229466 948845400 /nfs/dbraw/zinc/84/54/00/948845400.db2.gz JHRWTXQNMYQLJC-CHWSQXEVSA-N -1 3 384.362 0.712 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001575229466 948845419 /nfs/dbraw/zinc/84/54/19/948845419.db2.gz JHRWTXQNMYQLJC-CHWSQXEVSA-N -1 3 384.362 0.712 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CO)CC1OCCO1 ZINC001574082224 948848894 /nfs/dbraw/zinc/84/88/94/948848894.db2.gz CGTVAKJKDWCBMG-LRDDRELGSA-N -1 3 391.428 0.510 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CO)CC1OCCO1 ZINC001574082224 948848908 /nfs/dbraw/zinc/84/89/08/948848908.db2.gz CGTVAKJKDWCBMG-LRDDRELGSA-N -1 3 391.428 0.510 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H](O)C2)CC1 ZINC001574082111 948848944 /nfs/dbraw/zinc/84/89/44/948848944.db2.gz AKHKGBXFAHHITC-SMDDNHRTSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H](O)C2)CC1 ZINC001574082111 948848958 /nfs/dbraw/zinc/84/89/58/948848958.db2.gz AKHKGBXFAHHITC-SMDDNHRTSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CCn1cncn1 ZINC001574684014 948852970 /nfs/dbraw/zinc/85/29/70/948852970.db2.gz AEQXCPHIAZCRKD-JTQLQIEISA-N -1 3 390.839 0.904 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CCn1cncn1 ZINC001574684014 948852990 /nfs/dbraw/zinc/85/29/90/948852990.db2.gz AEQXCPHIAZCRKD-JTQLQIEISA-N -1 3 390.839 0.904 20 0 GCADHM C[C@H](CNC(=O)CCCn1cncn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574918636 948854389 /nfs/dbraw/zinc/85/43/89/948854389.db2.gz PFNOSIFQVGQGBS-SNVBAGLBSA-N -1 3 390.839 0.904 20 0 GCADHM C[C@H](CNC(=O)CCCn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574918636 948854408 /nfs/dbraw/zinc/85/44/08/948854408.db2.gz PFNOSIFQVGQGBS-SNVBAGLBSA-N -1 3 390.839 0.904 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1CCNC1=O ZINC001574684250 948860575 /nfs/dbraw/zinc/86/05/75/948860575.db2.gz CHYMATDQCFQKEM-NXEZZACHSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1CCNC1=O ZINC001574684250 948860593 /nfs/dbraw/zinc/86/05/93/948860593.db2.gz CHYMATDQCFQKEM-NXEZZACHSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccnc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574918853 948864395 /nfs/dbraw/zinc/86/43/95/948864395.db2.gz RUKAABXCFPVWFI-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H](O)C2)CC1 ZINC001574082777 948865910 /nfs/dbraw/zinc/86/59/10/948865910.db2.gz JPNJTFSSIBLDPV-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H](O)C2)CC1 ZINC001574082777 948865932 /nfs/dbraw/zinc/86/59/32/948865932.db2.gz JPNJTFSSIBLDPV-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)c1cnc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001574424963 948867285 /nfs/dbraw/zinc/86/72/85/948867285.db2.gz YRAVGXGPLIGHDD-CHWSQXEVSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1cnc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001574424963 948867307 /nfs/dbraw/zinc/86/73/07/948867307.db2.gz YRAVGXGPLIGHDD-CHWSQXEVSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1nc(CNC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001574425286 948872882 /nfs/dbraw/zinc/87/28/82/948872882.db2.gz CBFGZFNDEGRBRV-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)C1(C(=O)N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001574083197 948876004 /nfs/dbraw/zinc/87/60/04/948876004.db2.gz PYCLQHGNTGBQDF-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)C1(C(=O)N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001574083197 948876022 /nfs/dbraw/zinc/87/60/22/948876022.db2.gz PYCLQHGNTGBQDF-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1nc(CNCC2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001574425737 948878826 /nfs/dbraw/zinc/87/88/26/948878826.db2.gz MLFPGGJUFQHQMF-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNCC2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001574425737 948878844 /nfs/dbraw/zinc/87/88/44/948878844.db2.gz MLFPGGJUFQHQMF-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001575233044 948880042 /nfs/dbraw/zinc/88/00/42/948880042.db2.gz GEOZPXPUYBAJQN-RTCCRHLQSA-N -1 3 379.371 0.674 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001575233044 948880053 /nfs/dbraw/zinc/88/00/53/948880053.db2.gz GEOZPXPUYBAJQN-RTCCRHLQSA-N -1 3 379.371 0.674 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001574083716 948889238 /nfs/dbraw/zinc/88/92/38/948889238.db2.gz XLMPEPINNVLYDM-ZGMNHVEMSA-N -1 3 375.429 0.661 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001574083716 948889254 /nfs/dbraw/zinc/88/92/54/948889254.db2.gz XLMPEPINNVLYDM-ZGMNHVEMSA-N -1 3 375.429 0.661 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CO)c1nncn1C ZINC001574083756 948891335 /nfs/dbraw/zinc/89/13/35/948891335.db2.gz XZCHLQGEPJCTQP-GXTWGEPZSA-N -1 3 386.416 0.248 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CO)c1nncn1C ZINC001574083756 948891349 /nfs/dbraw/zinc/89/13/49/948891349.db2.gz XZCHLQGEPJCTQP-GXTWGEPZSA-N -1 3 386.416 0.248 20 0 GCADHM CC(F)(F)CC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001575233820 948892002 /nfs/dbraw/zinc/89/20/02/948892002.db2.gz MCSXGLPGFZXVQE-WDEREUQCSA-N -1 3 385.350 0.502 20 0 GCADHM CC(F)(F)CC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001575233820 948892020 /nfs/dbraw/zinc/89/20/20/948892020.db2.gz MCSXGLPGFZXVQE-WDEREUQCSA-N -1 3 385.350 0.502 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920294 948895095 /nfs/dbraw/zinc/89/50/95/948895095.db2.gz HVRSQJWWMUWFKG-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920294 948895113 /nfs/dbraw/zinc/89/51/13/948895113.db2.gz HVRSQJWWMUWFKG-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H](C)CC(N)=O ZINC001574684926 948896460 /nfs/dbraw/zinc/89/64/60/948896460.db2.gz PFTLODNPQCPNRR-IUCAKERBSA-N -1 3 380.840 0.733 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H](C)CC(N)=O ZINC001574684926 948896481 /nfs/dbraw/zinc/89/64/81/948896481.db2.gz PFTLODNPQCPNRR-IUCAKERBSA-N -1 3 380.840 0.733 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C1CC1 ZINC001573765206 948901127 /nfs/dbraw/zinc/90/11/27/948901127.db2.gz WKXHYCDKZKGFBI-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C1CC1 ZINC001573765206 948901142 /nfs/dbraw/zinc/90/11/42/948901142.db2.gz WKXHYCDKZKGFBI-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)c1nccc(NC[C@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574427383 948901902 /nfs/dbraw/zinc/90/19/02/948901902.db2.gz DCJAZFJFXSKUOL-LBPRGKRZSA-N -1 3 385.432 0.653 20 0 GCADHM CC(C)c1nccc(NC[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574427383 948901914 /nfs/dbraw/zinc/90/19/14/948901914.db2.gz DCJAZFJFXSKUOL-LBPRGKRZSA-N -1 3 385.432 0.653 20 0 GCADHM CC(C)(C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnc[nH]1 ZINC001573765203 948902165 /nfs/dbraw/zinc/90/21/65/948902165.db2.gz WJXPDYNYJCKRLG-JTQLQIEISA-N -1 3 383.416 0.226 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920497 948906440 /nfs/dbraw/zinc/90/64/40/948906440.db2.gz MTJFUNIYKXWOQV-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920497 948906450 /nfs/dbraw/zinc/90/64/50/948906450.db2.gz MTJFUNIYKXWOQV-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnc[nH]1 ZINC001573765461 948909033 /nfs/dbraw/zinc/90/90/33/948909033.db2.gz HXLTTWAPBFHCOE-SNVBAGLBSA-N -1 3 383.416 0.226 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574685609 948911845 /nfs/dbraw/zinc/91/18/45/948911845.db2.gz XVZILNWHGUQIHZ-ONGXEEELSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574685609 948911855 /nfs/dbraw/zinc/91/18/55/948911855.db2.gz XVZILNWHGUQIHZ-ONGXEEELSA-N -1 3 392.851 0.700 20 0 GCADHM CC(C)(C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)c1cnc[nH]1 ZINC001573765491 948912229 /nfs/dbraw/zinc/91/22/29/948912229.db2.gz KKUXYIMXKWKGFJ-UHFFFAOYSA-N -1 3 382.432 0.396 20 0 GCADHM CC(C)(C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)c1cnc[nH]1 ZINC001573765491 948912238 /nfs/dbraw/zinc/91/22/38/948912238.db2.gz KKUXYIMXKWKGFJ-UHFFFAOYSA-N -1 3 382.432 0.396 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1cnnn1C ZINC001574685490 948912630 /nfs/dbraw/zinc/91/26/30/948912630.db2.gz XILJYENXPWPDLY-QMMMGPOBSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1cnnn1C ZINC001574685490 948912645 /nfs/dbraw/zinc/91/26/45/948912645.db2.gz XILJYENXPWPDLY-QMMMGPOBSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CCCC(N)=O ZINC001574685639 948914716 /nfs/dbraw/zinc/91/47/16/948914716.db2.gz YIDXYSIJISMAAT-VIFPVBQESA-N -1 3 380.840 0.877 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CCCC(N)=O ZINC001574685639 948914732 /nfs/dbraw/zinc/91/47/32/948914732.db2.gz YIDXYSIJISMAAT-VIFPVBQESA-N -1 3 380.840 0.877 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574921158 948916370 /nfs/dbraw/zinc/91/63/70/948916370.db2.gz UJFJROIXHHMRJZ-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574921158 948916381 /nfs/dbraw/zinc/91/63/81/948916381.db2.gz UJFJROIXHHMRJZ-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574921159 948917037 /nfs/dbraw/zinc/91/70/37/948917037.db2.gz UJFJROIXHHMRJZ-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574921159 948917050 /nfs/dbraw/zinc/91/70/50/948917050.db2.gz UJFJROIXHHMRJZ-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)c1nccc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574427957 948919368 /nfs/dbraw/zinc/91/93/68/948919368.db2.gz VWNNAPHCUKVAPH-CHWSQXEVSA-N -1 3 383.416 0.088 20 0 GCADHM CC(C)c1nccc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574427957 948919377 /nfs/dbraw/zinc/91/93/77/948919377.db2.gz VWNNAPHCUKVAPH-CHWSQXEVSA-N -1 3 383.416 0.088 20 0 GCADHM CC(F)(F)CC(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001575235502 948919343 /nfs/dbraw/zinc/91/93/43/948919343.db2.gz VUIADEAAJADJRB-OAHLLOKOSA-N -1 3 385.350 0.504 20 0 GCADHM CC(F)(F)CC(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001575235502 948919349 /nfs/dbraw/zinc/91/93/49/948919349.db2.gz VUIADEAAJADJRB-OAHLLOKOSA-N -1 3 385.350 0.504 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574921361 948920589 /nfs/dbraw/zinc/92/05/89/948920589.db2.gz VOXWFOAAQULANL-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574921361 948920599 /nfs/dbraw/zinc/92/05/99/948920599.db2.gz VOXWFOAAQULANL-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM CC(C)(C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C1CCC1 ZINC001573765737 948923710 /nfs/dbraw/zinc/92/37/10/948923710.db2.gz BLKOKRVUVFIBSC-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C1CCC1 ZINC001573765737 948923717 /nfs/dbraw/zinc/92/37/17/948923717.db2.gz BLKOKRVUVFIBSC-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCS(C)(=O)=O ZINC001574685953 948924444 /nfs/dbraw/zinc/92/44/44/948924444.db2.gz CBKNEMOTJFPSAN-VIFPVBQESA-N -1 3 385.425 0.142 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCS(C)(=O)=O ZINC001574685953 948924458 /nfs/dbraw/zinc/92/44/58/948924458.db2.gz CBKNEMOTJFPSAN-VIFPVBQESA-N -1 3 385.425 0.142 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001574431724 948926587 /nfs/dbraw/zinc/92/65/87/948926587.db2.gz ABXVTSUABAFANG-NSHDSACASA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001574431724 948926597 /nfs/dbraw/zinc/92/65/97/948926597.db2.gz ABXVTSUABAFANG-NSHDSACASA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574431833 948926652 /nfs/dbraw/zinc/92/66/52/948926652.db2.gz CMPLBKBOPNOEFU-CYBMUJFWSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574432228 948928165 /nfs/dbraw/zinc/92/81/65/948928165.db2.gz FVJIMHLHGNTHRY-GFCCVEGCSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574432228 948928174 /nfs/dbraw/zinc/92/81/74/948928174.db2.gz FVJIMHLHGNTHRY-GFCCVEGCSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574432222 948928405 /nfs/dbraw/zinc/92/84/05/948928405.db2.gz FTYBIQIUOFXOQY-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574432222 948928414 /nfs/dbraw/zinc/92/84/14/948928414.db2.gz FTYBIQIUOFXOQY-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574686379 948931023 /nfs/dbraw/zinc/93/10/23/948931023.db2.gz HOJLMTUKMAKZCS-QMMMGPOBSA-N -1 3 375.368 0.460 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001574432467 948931046 /nfs/dbraw/zinc/93/10/46/948931046.db2.gz KFQUDRYSMQVGLK-HAQNSBGRSA-N -1 3 382.432 0.736 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001574432467 948931057 /nfs/dbraw/zinc/93/10/57/948931057.db2.gz KFQUDRYSMQVGLK-HAQNSBGRSA-N -1 3 382.432 0.736 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCCC(=O)N(C)C ZINC001574686221 948932685 /nfs/dbraw/zinc/93/26/85/948932685.db2.gz GRQQIRVQFOBRML-NSHDSACASA-N -1 3 392.439 0.966 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCCC(=O)N(C)C ZINC001574686221 948932695 /nfs/dbraw/zinc/93/26/95/948932695.db2.gz GRQQIRVQFOBRML-NSHDSACASA-N -1 3 392.439 0.966 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cccc(=O)n1C ZINC001574686238 948933234 /nfs/dbraw/zinc/93/32/34/948933234.db2.gz HAOVMUUIESKHFI-JTQLQIEISA-N -1 3 386.391 0.720 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cccc(=O)n1C ZINC001574686238 948933245 /nfs/dbraw/zinc/93/32/45/948933245.db2.gz HAOVMUUIESKHFI-JTQLQIEISA-N -1 3 386.391 0.720 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574432289 948933572 /nfs/dbraw/zinc/93/35/72/948933572.db2.gz IQTSQCCKFJAZIP-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574432565 948934797 /nfs/dbraw/zinc/93/47/97/948934797.db2.gz NDKBUKMJVCBEFT-ONEGZZNKSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574432565 948934807 /nfs/dbraw/zinc/93/48/07/948934807.db2.gz NDKBUKMJVCBEFT-ONEGZZNKSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC=CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574432564 948934921 /nfs/dbraw/zinc/93/49/21/948934921.db2.gz NDKBUKMJVCBEFT-ARJAWSKDSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC=CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574432564 948934932 /nfs/dbraw/zinc/93/49/32/948934932.db2.gz NDKBUKMJVCBEFT-ARJAWSKDSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)c1ncncc1C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574432596 948939383 /nfs/dbraw/zinc/93/93/83/948939383.db2.gz OBAGBTSSONEKSK-UHFFFAOYSA-N -1 3 383.416 0.610 20 0 GCADHM CC(C)c1ncncc1C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574432596 948939394 /nfs/dbraw/zinc/93/93/94/948939394.db2.gz OBAGBTSSONEKSK-UHFFFAOYSA-N -1 3 383.416 0.610 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574432796 948940205 /nfs/dbraw/zinc/94/02/05/948940205.db2.gz DPABQOUXBFDRQG-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574432796 948940212 /nfs/dbraw/zinc/94/02/12/948940212.db2.gz DPABQOUXBFDRQG-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001574432942 948942016 /nfs/dbraw/zinc/94/20/16/948942016.db2.gz QATMFFLQYIVLPJ-GFCCVEGCSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001574432942 948942031 /nfs/dbraw/zinc/94/20/31/948942031.db2.gz QATMFFLQYIVLPJ-GFCCVEGCSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001574432926 948943754 /nfs/dbraw/zinc/94/37/54/948943754.db2.gz PJPZAWIFPUXPQT-CHWSQXEVSA-N -1 3 396.459 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001574432926 948943767 /nfs/dbraw/zinc/94/37/67/948943767.db2.gz PJPZAWIFPUXPQT-CHWSQXEVSA-N -1 3 396.459 0.618 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001574089094 948944647 /nfs/dbraw/zinc/94/46/47/948944647.db2.gz CPINNQCIMFVIOC-OLZOCXBDSA-N -1 3 377.424 0.926 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001574089094 948944661 /nfs/dbraw/zinc/94/46/61/948944661.db2.gz CPINNQCIMFVIOC-OLZOCXBDSA-N -1 3 377.424 0.926 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCCn1cncn1 ZINC001574687076 948945478 /nfs/dbraw/zinc/94/54/78/948945478.db2.gz MTSAHLLJDFRLII-NSHDSACASA-N -1 3 388.411 0.779 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCCn1cncn1 ZINC001574687076 948945490 /nfs/dbraw/zinc/94/54/90/948945490.db2.gz MTSAHLLJDFRLII-NSHDSACASA-N -1 3 388.411 0.779 20 0 GCADHM CC(C)c1ncncc1C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574432946 948946980 /nfs/dbraw/zinc/94/69/80/948946980.db2.gz QCSNQBXSHLHVSE-UHFFFAOYSA-N -1 3 383.416 0.610 20 0 GCADHM CC(C)c1ncncc1C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574432946 948946983 /nfs/dbraw/zinc/94/69/83/948946983.db2.gz QCSNQBXSHLHVSE-UHFFFAOYSA-N -1 3 383.416 0.610 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574432972 948947114 /nfs/dbraw/zinc/94/71/14/948947114.db2.gz RDKCSGCMHMXCDA-LBPRGKRZSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574432972 948947122 /nfs/dbraw/zinc/94/71/22/948947122.db2.gz RDKCSGCMHMXCDA-LBPRGKRZSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)[C@@H](O)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573771849 948947070 /nfs/dbraw/zinc/94/70/70/948947070.db2.gz MLFAQPYWXYPMAV-HOTGVXAUSA-N -1 3 382.424 0.750 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)[C@@H](O)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573771849 948947082 /nfs/dbraw/zinc/94/70/82/948947082.db2.gz MLFAQPYWXYPMAV-HOTGVXAUSA-N -1 3 382.424 0.750 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574433279 948948748 /nfs/dbraw/zinc/94/87/48/948948748.db2.gz RWYBICHKCZQHCQ-LBPRGKRZSA-N -1 3 384.448 0.618 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001574687159 948950029 /nfs/dbraw/zinc/95/00/29/948950029.db2.gz NZCCEUFDVWHJER-MRVPVSSYSA-N -1 3 387.379 0.448 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001574687159 948950041 /nfs/dbraw/zinc/95/00/41/948950041.db2.gz NZCCEUFDVWHJER-MRVPVSSYSA-N -1 3 387.379 0.448 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574923479 948952265 /nfs/dbraw/zinc/95/22/65/948952265.db2.gz NVGZWECFSSIOCD-CYBMUJFWSA-N -1 3 382.428 0.455 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574923479 948952271 /nfs/dbraw/zinc/95/22/71/948952271.db2.gz NVGZWECFSSIOCD-CYBMUJFWSA-N -1 3 382.428 0.455 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCc1cn(C)nn1 ZINC001574687696 948952687 /nfs/dbraw/zinc/95/26/87/948952687.db2.gz QVBLPHBKFBPYEW-JTQLQIEISA-N -1 3 388.411 0.469 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCc1cn(C)nn1 ZINC001574687696 948952692 /nfs/dbraw/zinc/95/26/92/948952692.db2.gz QVBLPHBKFBPYEW-JTQLQIEISA-N -1 3 388.411 0.469 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001575238934 948956527 /nfs/dbraw/zinc/95/65/27/948956527.db2.gz NUZXTZJCFSLDFN-MNOVXSKESA-N -1 3 385.350 0.502 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001575238934 948956535 /nfs/dbraw/zinc/95/65/35/948956535.db2.gz NUZXTZJCFSLDFN-MNOVXSKESA-N -1 3 385.350 0.502 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574089595 948958874 /nfs/dbraw/zinc/95/88/74/948958874.db2.gz FWACUTVUKNFXNU-QWHCGFSZSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574089595 948958891 /nfs/dbraw/zinc/95/88/91/948958891.db2.gz FWACUTVUKNFXNU-QWHCGFSZSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574433621 948959559 /nfs/dbraw/zinc/95/95/59/948959559.db2.gz ZGKMDHNZGVZUGE-LBPRGKRZSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574433621 948959572 /nfs/dbraw/zinc/95/95/72/948959572.db2.gz ZGKMDHNZGVZUGE-LBPRGKRZSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)c1ncncc1C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574433617 948960339 /nfs/dbraw/zinc/96/03/39/948960339.db2.gz ZCIJYEAXCLGSOD-UHFFFAOYSA-N -1 3 381.400 0.363 20 0 GCADHM CC(C)c1ncncc1C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574433617 948960348 /nfs/dbraw/zinc/96/03/48/948960348.db2.gz ZCIJYEAXCLGSOD-UHFFFAOYSA-N -1 3 381.400 0.363 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574433598 948960599 /nfs/dbraw/zinc/96/05/99/948960599.db2.gz YJHNRIKBBNQHCF-CYBMUJFWSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nnc(CN2CC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001574433490 948961474 /nfs/dbraw/zinc/96/14/74/948961474.db2.gz OXPSKDUVFTZFIK-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1nnc(CN2CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001574433490 948961483 /nfs/dbraw/zinc/96/14/83/948961483.db2.gz OXPSKDUVFTZFIK-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C1CC1 ZINC001573772416 948962114 /nfs/dbraw/zinc/96/21/14/948962114.db2.gz BQLYTDLRICYLEM-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C1CC1 ZINC001573772416 948962119 /nfs/dbraw/zinc/96/21/19/948962119.db2.gz BQLYTDLRICYLEM-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573772581 948965140 /nfs/dbraw/zinc/96/51/40/948965140.db2.gz VODFWMWYILLJNP-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573772581 948965154 /nfs/dbraw/zinc/96/51/54/948965154.db2.gz VODFWMWYILLJNP-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574089765 948965376 /nfs/dbraw/zinc/96/53/76/948965376.db2.gz KNKRLCXREBHHSS-ACJLOTCBSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574089765 948965387 /nfs/dbraw/zinc/96/53/87/948965387.db2.gz KNKRLCXREBHHSS-ACJLOTCBSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574924110 948965834 /nfs/dbraw/zinc/96/58/34/948965834.db2.gz WEMKZXAZBCMWLO-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM C[C@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574924110 948965844 /nfs/dbraw/zinc/96/58/44/948965844.db2.gz WEMKZXAZBCMWLO-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM CC(C)(C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)c1c[nH]cn1 ZINC001573772761 948966226 /nfs/dbraw/zinc/96/62/26/948966226.db2.gz DOUPROGRYZLYKF-UHFFFAOYSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574433894 948966527 /nfs/dbraw/zinc/96/65/27/948966527.db2.gz VABXCXGKSPICTA-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574433894 948966538 /nfs/dbraw/zinc/96/65/38/948966538.db2.gz VABXCXGKSPICTA-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574433871 948966706 /nfs/dbraw/zinc/96/67/06/948966706.db2.gz UJEGUZKIZNTPFL-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574433871 948966720 /nfs/dbraw/zinc/96/67/20/948966720.db2.gz UJEGUZKIZNTPFL-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)(C(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1)N1CCOCC1 ZINC001573772825 948966873 /nfs/dbraw/zinc/96/68/73/948966873.db2.gz FUOJDSZTEWZYOV-UHFFFAOYSA-N -1 3 385.472 0.278 20 0 GCADHM CC(C)(C(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)N1CCOCC1 ZINC001573772825 948966884 /nfs/dbraw/zinc/96/68/84/948966884.db2.gz FUOJDSZTEWZYOV-UHFFFAOYSA-N -1 3 385.472 0.278 20 0 GCADHM CC(C)(C(=O)N[C@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1)c1c[nH]cn1 ZINC001573772829 948968398 /nfs/dbraw/zinc/96/83/98/948968398.db2.gz WVEOCDMEQSXUMC-LLVKDONJSA-N -1 3 382.432 0.664 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574688800 948969410 /nfs/dbraw/zinc/96/94/10/948969410.db2.gz ZKLZKPXUGNDGLW-MNOVXSKESA-N -1 3 381.462 0.249 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574688800 948969420 /nfs/dbraw/zinc/96/94/20/948969420.db2.gz ZKLZKPXUGNDGLW-MNOVXSKESA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574433947 948970376 /nfs/dbraw/zinc/97/03/76/948970376.db2.gz XBTOYHHRELDJGA-UHFFFAOYSA-N -1 3 383.416 0.306 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574433947 948970386 /nfs/dbraw/zinc/97/03/86/948970386.db2.gz XBTOYHHRELDJGA-UHFFFAOYSA-N -1 3 383.416 0.306 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccnn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574924308 948971205 /nfs/dbraw/zinc/97/12/05/948971205.db2.gz ZGZFWGKBUIEINT-JTQLQIEISA-N -1 3 390.839 0.538 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccnn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574924308 948971223 /nfs/dbraw/zinc/97/12/23/948971223.db2.gz ZGZFWGKBUIEINT-JTQLQIEISA-N -1 3 390.839 0.538 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574433917 948971663 /nfs/dbraw/zinc/97/16/63/948971663.db2.gz VWYHRVKDEHJZHU-GFCCVEGCSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574433917 948971671 /nfs/dbraw/zinc/97/16/71/948971671.db2.gz VWYHRVKDEHJZHU-GFCCVEGCSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCOCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574089969 948972942 /nfs/dbraw/zinc/97/29/42/948972942.db2.gz JRNLIOQIYVLACF-KBPBESRZSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCOCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574089969 948972953 /nfs/dbraw/zinc/97/29/53/948972953.db2.gz JRNLIOQIYVLACF-KBPBESRZSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCCO1 ZINC001573773076 948973254 /nfs/dbraw/zinc/97/32/54/948973254.db2.gz GDQGOIWXUNXHNY-CQSZACIVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCCO1 ZINC001573773076 948973261 /nfs/dbraw/zinc/97/32/61/948973261.db2.gz GDQGOIWXUNXHNY-CQSZACIVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574434280 948975472 /nfs/dbraw/zinc/97/54/72/948975472.db2.gz GJTODEPSWCNEKD-UHFFFAOYSA-N -1 3 383.420 0.133 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574434280 948975482 /nfs/dbraw/zinc/97/54/82/948975482.db2.gz GJTODEPSWCNEKD-UHFFFAOYSA-N -1 3 383.420 0.133 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573773168 948975970 /nfs/dbraw/zinc/97/59/70/948975970.db2.gz IMWGKAYUAIWNOO-UHFFFAOYSA-N -1 3 380.412 0.508 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573773168 948975980 /nfs/dbraw/zinc/97/59/80/948975980.db2.gz IMWGKAYUAIWNOO-UHFFFAOYSA-N -1 3 380.412 0.508 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001574434200 948976464 /nfs/dbraw/zinc/97/64/64/948976464.db2.gz ZNGNQUUASCVVJP-NSHDSACASA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001574434200 948976474 /nfs/dbraw/zinc/97/64/74/948976474.db2.gz ZNGNQUUASCVVJP-NSHDSACASA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573773107 948976630 /nfs/dbraw/zinc/97/66/30/948976630.db2.gz GYIDBWMEDKRSNJ-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573773107 948976641 /nfs/dbraw/zinc/97/66/41/948976641.db2.gz GYIDBWMEDKRSNJ-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCCO1 ZINC001573773133 948976694 /nfs/dbraw/zinc/97/66/94/948976694.db2.gz HVDFBNKJGFGVNH-KGLIPLIRSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCCO1 ZINC001573773133 948976704 /nfs/dbraw/zinc/97/67/04/948976704.db2.gz HVDFBNKJGFGVNH-KGLIPLIRSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574090211 948980446 /nfs/dbraw/zinc/98/04/46/948980446.db2.gz LZQONMIDJAFCEH-UGSOOPFHSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574090211 948980455 /nfs/dbraw/zinc/98/04/55/948980455.db2.gz LZQONMIDJAFCEH-UGSOOPFHSA-N -1 3 389.460 0.428 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001575242221 948981600 /nfs/dbraw/zinc/98/16/00/948981600.db2.gz ICVQEYLVDVZFAM-IWIIMEHWSA-N -1 3 379.371 0.817 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001575242221 948981609 /nfs/dbraw/zinc/98/16/09/948981609.db2.gz ICVQEYLVDVZFAM-IWIIMEHWSA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573773608 948985960 /nfs/dbraw/zinc/98/59/60/948985960.db2.gz NCTCWTSGQTUUCZ-CQSZACIVSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573773608 948985972 /nfs/dbraw/zinc/98/59/72/948985972.db2.gz NCTCWTSGQTUUCZ-CQSZACIVSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574435017 948986652 /nfs/dbraw/zinc/98/66/52/948986652.db2.gz PBIPEQTVXAVQHG-MNOVXSKESA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574435017 948986665 /nfs/dbraw/zinc/98/66/65/948986665.db2.gz PBIPEQTVXAVQHG-MNOVXSKESA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573773501 948987765 /nfs/dbraw/zinc/98/77/65/948987765.db2.gz CMINYGLWEYRNOO-GFCCVEGCSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573773501 948987782 /nfs/dbraw/zinc/98/77/82/948987782.db2.gz CMINYGLWEYRNOO-GFCCVEGCSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574435016 948988494 /nfs/dbraw/zinc/98/84/94/948988494.db2.gz PBIPEQTVXAVQHG-GHMZBOCLSA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574435016 948988503 /nfs/dbraw/zinc/98/85/03/948988503.db2.gz PBIPEQTVXAVQHG-GHMZBOCLSA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)c1nnc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC001574435247 948991627 /nfs/dbraw/zinc/99/16/27/948991627.db2.gz QUGCVLPDGXXCKC-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574435261 948992652 /nfs/dbraw/zinc/99/26/52/948992652.db2.gz REACPJXOHGEISD-UHFFFAOYSA-N -1 3 388.411 0.368 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574435261 948992658 /nfs/dbraw/zinc/99/26/58/948992658.db2.gz REACPJXOHGEISD-UHFFFAOYSA-N -1 3 388.411 0.368 20 0 GCADHM CC(C)c1nnc(CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)[nH]1 ZINC001574435547 948995247 /nfs/dbraw/zinc/99/52/47/948995247.db2.gz VSGQVMXOKVAXAQ-UHFFFAOYSA-N -1 3 397.447 0.535 20 0 GCADHM CC(C)c1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001574435389 948995637 /nfs/dbraw/zinc/99/56/37/948995637.db2.gz USFTYUPRBWDGCE-RYUDHWBXSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)c1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001574435389 948995651 /nfs/dbraw/zinc/99/56/51/948995651.db2.gz USFTYUPRBWDGCE-RYUDHWBXSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)c1nnc(CN[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)o1 ZINC001574435628 948996680 /nfs/dbraw/zinc/99/66/80/948996680.db2.gz WQCWCBUILCGXQG-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnc(CN[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)o1 ZINC001574435628 948996691 /nfs/dbraw/zinc/99/66/91/948996691.db2.gz WQCWCBUILCGXQG-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574090872 948997202 /nfs/dbraw/zinc/99/72/02/948997202.db2.gz JSTPYFBDSCYFOK-DOMZBBRYSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574090872 948997215 /nfs/dbraw/zinc/99/72/15/948997215.db2.gz JSTPYFBDSCYFOK-DOMZBBRYSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574926518 949007066 /nfs/dbraw/zinc/00/70/66/949007066.db2.gz SXSGFKJUQCNRNV-CYBMUJFWSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574926518 949007086 /nfs/dbraw/zinc/00/70/86/949007086.db2.gz SXSGFKJUQCNRNV-CYBMUJFWSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001575501323 949009057 /nfs/dbraw/zinc/00/90/57/949009057.db2.gz GCTQHPUTUZVYFY-LCSDZXHASA-N -1 3 392.423 0.675 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001575501323 949009074 /nfs/dbraw/zinc/00/90/74/949009074.db2.gz GCTQHPUTUZVYFY-LCSDZXHASA-N -1 3 392.423 0.675 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574926651 949012605 /nfs/dbraw/zinc/01/26/05/949012605.db2.gz BWMILXPTBNTQIQ-LLVKDONJSA-N -1 3 381.400 0.003 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574926651 949012617 /nfs/dbraw/zinc/01/26/17/949012617.db2.gz BWMILXPTBNTQIQ-LLVKDONJSA-N -1 3 381.400 0.003 20 0 GCADHM C[C@@H](F)CCN1CC(n2cc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)nn2)C1 ZINC001575244340 949018353 /nfs/dbraw/zinc/01/83/53/949018353.db2.gz YRUBDUNGZSTBRW-SNVBAGLBSA-N -1 3 388.411 0.321 20 0 GCADHM C[C@@H](F)CCN1CC(n2cc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)nn2)C1 ZINC001575244340 949018340 /nfs/dbraw/zinc/01/83/40/949018340.db2.gz YRUBDUNGZSTBRW-SNVBAGLBSA-N -1 3 388.411 0.321 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574926711 949019106 /nfs/dbraw/zinc/01/91/06/949019106.db2.gz VPZVQRSYSLBMCJ-LBPRGKRZSA-N -1 3 389.435 0.565 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574926711 949019126 /nfs/dbraw/zinc/01/91/26/949019126.db2.gz VPZVQRSYSLBMCJ-LBPRGKRZSA-N -1 3 389.435 0.565 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439889 949020228 /nfs/dbraw/zinc/02/02/28/949020228.db2.gz LPAHZDZHRRMHDF-UWVGGRQHSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439889 949020248 /nfs/dbraw/zinc/02/02/48/949020248.db2.gz LPAHZDZHRRMHDF-UWVGGRQHSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574926807 949021023 /nfs/dbraw/zinc/02/10/23/949021023.db2.gz XTUHWQVPZUQFEL-SNVBAGLBSA-N -1 3 392.851 0.844 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574926807 949021042 /nfs/dbraw/zinc/02/10/42/949021042.db2.gz XTUHWQVPZUQFEL-SNVBAGLBSA-N -1 3 392.851 0.844 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574926822 949022691 /nfs/dbraw/zinc/02/26/91/949022691.db2.gz YCHPZOUYUWRECS-SECBINFHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574926822 949022673 /nfs/dbraw/zinc/02/26/73/949022673.db2.gz YCHPZOUYUWRECS-SECBINFHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926786 949022951 /nfs/dbraw/zinc/02/29/51/949022951.db2.gz XKIYQRNGSVPVHP-LLVKDONJSA-N -1 3 375.408 0.935 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926786 949022960 /nfs/dbraw/zinc/02/29/60/949022960.db2.gz XKIYQRNGSVPVHP-LLVKDONJSA-N -1 3 375.408 0.935 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575245367 949024258 /nfs/dbraw/zinc/02/42/58/949024258.db2.gz AOQJBCREBXLDAJ-NSHDSACASA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575245367 949024277 /nfs/dbraw/zinc/02/42/77/949024277.db2.gz AOQJBCREBXLDAJ-NSHDSACASA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1)c1cccnc1 ZINC001573775014 949029046 /nfs/dbraw/zinc/02/90/46/949029046.db2.gz RUCMZYYLRAWWFW-ZDUSSCGKSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)c1cccnc1 ZINC001573775014 949029068 /nfs/dbraw/zinc/02/90/68/949029068.db2.gz RUCMZYYLRAWWFW-ZDUSSCGKSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)c1nsc(NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574440676 949032755 /nfs/dbraw/zinc/03/27/55/949032755.db2.gz CCEHDWMDEPLBFH-UHFFFAOYSA-N -1 3 391.461 0.716 20 0 GCADHM CC(C)c1nsc(NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440676 949032768 /nfs/dbraw/zinc/03/27/68/949032768.db2.gz CCEHDWMDEPLBFH-UHFFFAOYSA-N -1 3 391.461 0.716 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575502931 949033723 /nfs/dbraw/zinc/03/37/23/949033723.db2.gz LTKZXTAYWZPVEM-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575502931 949033747 /nfs/dbraw/zinc/03/37/47/949033747.db2.gz LTKZXTAYWZPVEM-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1)N1CCOCC1 ZINC001573775471 949041319 /nfs/dbraw/zinc/04/13/19/949041319.db2.gz XGDSJYJTZRXYMN-UHFFFAOYSA-N -1 3 386.460 0.433 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1)N1CCOCC1 ZINC001573775471 949041337 /nfs/dbraw/zinc/04/13/37/949041337.db2.gz XGDSJYJTZRXYMN-UHFFFAOYSA-N -1 3 386.460 0.433 20 0 GCADHM CC(C)c1noc(CN[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)n1 ZINC001574440874 949042641 /nfs/dbraw/zinc/04/26/41/949042641.db2.gz XPVGCSCZUKSHTH-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CN[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)n1 ZINC001574440874 949042660 /nfs/dbraw/zinc/04/26/60/949042660.db2.gz XPVGCSCZUKSHTH-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574441081 949046133 /nfs/dbraw/zinc/04/61/33/949046133.db2.gz BGDWJSDPUFFSKU-JTQLQIEISA-N -1 3 390.379 0.715 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574441081 949046153 /nfs/dbraw/zinc/04/61/53/949046153.db2.gz BGDWJSDPUFFSKU-JTQLQIEISA-N -1 3 390.379 0.715 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574927457 949046568 /nfs/dbraw/zinc/04/65/68/949046568.db2.gz IZWIVFRCVJZYLR-LBPRGKRZSA-N -1 3 388.476 0.978 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574927457 949046592 /nfs/dbraw/zinc/04/65/92/949046592.db2.gz IZWIVFRCVJZYLR-LBPRGKRZSA-N -1 3 388.476 0.978 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1c[nH]cn1 ZINC001573778975 949047488 /nfs/dbraw/zinc/04/74/88/949047488.db2.gz AYVLXYKMLCVRJR-NSHDSACASA-N -1 3 383.416 0.226 20 0 GCADHM CC(C)c1nsc(NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574441237 949056810 /nfs/dbraw/zinc/05/68/10/949056810.db2.gz IKTYITUHADWPMA-UHFFFAOYSA-N -1 3 391.461 0.716 20 0 GCADHM CC(C)c1nsc(NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574441237 949056828 /nfs/dbraw/zinc/05/68/28/949056828.db2.gz IKTYITUHADWPMA-UHFFFAOYSA-N -1 3 391.461 0.716 20 0 GCADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001575504249 949064358 /nfs/dbraw/zinc/06/43/58/949064358.db2.gz OZSYBLKAQOQQQW-JTQLQIEISA-N -1 3 384.400 0.569 20 0 GCADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001575504249 949064380 /nfs/dbraw/zinc/06/43/80/949064380.db2.gz OZSYBLKAQOQQQW-JTQLQIEISA-N -1 3 384.400 0.569 20 0 GCADHM CC(C)(C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)C(F)F ZINC001573779656 949067432 /nfs/dbraw/zinc/06/74/32/949067432.db2.gz LMQINUOYGFZNJM-UHFFFAOYSA-N -1 3 380.399 0.821 20 0 GCADHM CC(C)(C(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1)C(F)F ZINC001573779656 949067452 /nfs/dbraw/zinc/06/74/52/949067452.db2.gz LMQINUOYGFZNJM-UHFFFAOYSA-N -1 3 380.399 0.821 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575504308 949069794 /nfs/dbraw/zinc/06/97/94/949069794.db2.gz PXNQPFAKPZMPTQ-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001574441753 949070372 /nfs/dbraw/zinc/07/03/72/949070372.db2.gz VYXAZNAYJFBQNE-CHWSQXEVSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001574441753 949070387 /nfs/dbraw/zinc/07/03/87/949070387.db2.gz VYXAZNAYJFBQNE-CHWSQXEVSA-N -1 3 384.400 0.353 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574694365 949073242 /nfs/dbraw/zinc/07/32/42/949073242.db2.gz ODFZLZAFMRLCID-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574694365 949073263 /nfs/dbraw/zinc/07/32/63/949073263.db2.gz ODFZLZAFMRLCID-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574092817 949077075 /nfs/dbraw/zinc/07/70/75/949077075.db2.gz SVVPGKRUDZCLQB-STQMWFEESA-N -1 3 376.486 0.883 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574929137 949078314 /nfs/dbraw/zinc/07/83/14/949078314.db2.gz ZDQOARLTSZUWCY-LLVKDONJSA-N -1 3 389.435 0.469 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574929137 949078294 /nfs/dbraw/zinc/07/82/94/949078294.db2.gz ZDQOARLTSZUWCY-LLVKDONJSA-N -1 3 389.435 0.469 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC001573780080 949081808 /nfs/dbraw/zinc/08/18/08/949081808.db2.gz RCHXBYUNGBNLQJ-CQSZACIVSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573780080 949081829 /nfs/dbraw/zinc/08/18/29/949081829.db2.gz RCHXBYUNGBNLQJ-CQSZACIVSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](Sc1nc(CC(=O)Nc2cc(-c3nnn[n-]3)ccn2)cs1)C(N)=O ZINC001575504739 949083276 /nfs/dbraw/zinc/08/32/76/949083276.db2.gz WZXHVOJPOXVXEF-SSDOTTSWSA-N -1 3 390.454 0.865 20 0 GCADHM C[C@@H](Sc1nc(CC(=O)Nc2cc(-c3nn[n-]n3)ccn2)cs1)C(N)=O ZINC001575504739 949083289 /nfs/dbraw/zinc/08/32/89/949083289.db2.gz WZXHVOJPOXVXEF-SSDOTTSWSA-N -1 3 390.454 0.865 20 0 GCADHM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574929292 949085932 /nfs/dbraw/zinc/08/59/32/949085932.db2.gz CGIOZYFSYMRMPV-NSHDSACASA-N -1 3 384.400 0.496 20 0 GCADHM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574929292 949085951 /nfs/dbraw/zinc/08/59/51/949085951.db2.gz CGIOZYFSYMRMPV-NSHDSACASA-N -1 3 384.400 0.496 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574092961 949087241 /nfs/dbraw/zinc/08/72/41/949087241.db2.gz QNBAWNCMPIAGFK-STQMWFEESA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574092961 949087263 /nfs/dbraw/zinc/08/72/63/949087263.db2.gz QNBAWNCMPIAGFK-STQMWFEESA-N -1 3 375.433 0.038 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574929322 949089561 /nfs/dbraw/zinc/08/95/61/949089561.db2.gz CWRVPWHDSKOYLE-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574929322 949089582 /nfs/dbraw/zinc/08/95/82/949089582.db2.gz CWRVPWHDSKOYLE-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1c[nH]cn1 ZINC001573780355 949092282 /nfs/dbraw/zinc/09/22/82/949092282.db2.gz WVHRFNTVRRDYGP-LBPRGKRZSA-N -1 3 381.444 0.905 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574929321 949092520 /nfs/dbraw/zinc/09/25/20/949092520.db2.gz CWRVPWHDSKOYLE-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574929321 949092546 /nfs/dbraw/zinc/09/25/46/949092546.db2.gz CWRVPWHDSKOYLE-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575504914 949094985 /nfs/dbraw/zinc/09/49/85/949094985.db2.gz YWDRPQGQCVLZSC-OLZOCXBDSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575504914 949095004 /nfs/dbraw/zinc/09/50/04/949095004.db2.gz YWDRPQGQCVLZSC-OLZOCXBDSA-N -1 3 380.412 0.819 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574442406 949095832 /nfs/dbraw/zinc/09/58/32/949095832.db2.gz NVHYPDDQZIZYMJ-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574442406 949095852 /nfs/dbraw/zinc/09/58/52/949095852.db2.gz NVHYPDDQZIZYMJ-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574929491 949096163 /nfs/dbraw/zinc/09/61/63/949096163.db2.gz FFHJCIMGNMNMEG-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574929491 949096181 /nfs/dbraw/zinc/09/61/81/949096181.db2.gz FFHJCIMGNMNMEG-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575249407 949098472 /nfs/dbraw/zinc/09/84/72/949098472.db2.gz BNJMLFLDKYZMSF-SKDRFNHKSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575249407 949098452 /nfs/dbraw/zinc/09/84/52/949098452.db2.gz BNJMLFLDKYZMSF-SKDRFNHKSA-N -1 3 379.396 0.289 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574443150 949104438 /nfs/dbraw/zinc/10/44/38/949104438.db2.gz VJDCAZVRICQNLZ-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574443150 949104451 /nfs/dbraw/zinc/10/44/51/949104451.db2.gz VJDCAZVRICQNLZ-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574930623 949106388 /nfs/dbraw/zinc/10/63/88/949106388.db2.gz KRWLNNYPYTYCNQ-ZYHUDNBSSA-N -1 3 379.396 0.147 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574930623 949106398 /nfs/dbraw/zinc/10/63/98/949106398.db2.gz KRWLNNYPYTYCNQ-ZYHUDNBSSA-N -1 3 379.396 0.147 20 0 GCADHM CC(C)c1noc(CN[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574443450 949106713 /nfs/dbraw/zinc/10/67/13/949106713.db2.gz YMPKUBZNZDENIB-KLPPZKSPSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CN[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574443450 949106728 /nfs/dbraw/zinc/10/67/28/949106728.db2.gz YMPKUBZNZDENIB-KLPPZKSPSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575249985 949107443 /nfs/dbraw/zinc/10/74/43/949107443.db2.gz CLTWHCSIJVFYMS-NXEZZACHSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575249985 949107455 /nfs/dbraw/zinc/10/74/55/949107455.db2.gz CLTWHCSIJVFYMS-NXEZZACHSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC001575508994 949108641 /nfs/dbraw/zinc/10/86/41/949108641.db2.gz AXSASURTYZGSMM-JTQLQIEISA-N -1 3 387.425 0.742 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)C(F)F ZINC001573781695 949110850 /nfs/dbraw/zinc/11/08/50/949110850.db2.gz MGBIVJWGAKTHML-JTQLQIEISA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)C(F)F ZINC001573781695 949110865 /nfs/dbraw/zinc/11/08/65/949110865.db2.gz MGBIVJWGAKTHML-JTQLQIEISA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574445730 949112912 /nfs/dbraw/zinc/11/29/12/949112912.db2.gz AQZNOUURUXPBNF-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574445730 949112919 /nfs/dbraw/zinc/11/29/19/949112919.db2.gz AQZNOUURUXPBNF-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM C[C@@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575250694 949114212 /nfs/dbraw/zinc/11/42/12/949114212.db2.gz GJFLXLUANXNTFR-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575250694 949114217 /nfs/dbraw/zinc/11/42/17/949114217.db2.gz GJFLXLUANXNTFR-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575250389 949114245 /nfs/dbraw/zinc/11/42/45/949114245.db2.gz FXTFCHWKZZWWHK-NEPJUHHUSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575250357 949116014 /nfs/dbraw/zinc/11/60/14/949116014.db2.gz FKZXQRNSKGKISR-NEPJUHHUSA-N -1 3 392.485 0.236 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)C(F)F ZINC001573781973 949117426 /nfs/dbraw/zinc/11/74/26/949117426.db2.gz NQCAWWKDHWWZPA-NSHDSACASA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)C(F)F ZINC001573781973 949117436 /nfs/dbraw/zinc/11/74/36/949117436.db2.gz NQCAWWKDHWWZPA-NSHDSACASA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574446083 949118969 /nfs/dbraw/zinc/11/89/69/949118969.db2.gz HZODPYKZJJXIAP-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574446083 949118981 /nfs/dbraw/zinc/11/89/81/949118981.db2.gz HZODPYKZJJXIAP-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574931700 949120737 /nfs/dbraw/zinc/12/07/37/949120737.db2.gz QWLICLYASAOFSK-WFASDCNBSA-N -1 3 392.435 0.748 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574931747 949121709 /nfs/dbraw/zinc/12/17/09/949121709.db2.gz RSHDWRVLBYMNSW-GXTWGEPZSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574931747 949121696 /nfs/dbraw/zinc/12/16/96/949121696.db2.gz RSHDWRVLBYMNSW-GXTWGEPZSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575250950 949122792 /nfs/dbraw/zinc/12/27/92/949122792.db2.gz JGLABQVKIVOZIW-STQMWFEESA-N -1 3 388.476 0.678 20 0 GCADHM C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575250950 949122804 /nfs/dbraw/zinc/12/28/04/949122804.db2.gz JGLABQVKIVOZIW-STQMWFEESA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575251065 949124864 /nfs/dbraw/zinc/12/48/64/949124864.db2.gz KQPHWHYNKUKUQS-NEPJUHHUSA-N -1 3 384.444 0.248 20 0 GCADHM C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575251065 949124879 /nfs/dbraw/zinc/12/48/79/949124879.db2.gz KQPHWHYNKUKUQS-NEPJUHHUSA-N -1 3 384.444 0.248 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001574446244 949124852 /nfs/dbraw/zinc/12/48/52/949124852.db2.gz KXZJNJBMJZFEEL-ZIAGYGMSSA-N -1 3 383.412 0.958 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001574446244 949124868 /nfs/dbraw/zinc/12/48/68/949124868.db2.gz KXZJNJBMJZFEEL-ZIAGYGMSSA-N -1 3 383.412 0.958 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)F ZINC001573782739 949127326 /nfs/dbraw/zinc/12/73/26/949127326.db2.gz XAKBAIKMIFAMHF-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)F ZINC001573782739 949127343 /nfs/dbraw/zinc/12/73/43/949127343.db2.gz XAKBAIKMIFAMHF-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCO1 ZINC001574094347 949136253 /nfs/dbraw/zinc/13/62/53/949136253.db2.gz VMXVTOOUWPJHLH-IAQYHMDHSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCO1 ZINC001574094347 949136265 /nfs/dbraw/zinc/13/62/65/949136265.db2.gz VMXVTOOUWPJHLH-IAQYHMDHSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001575251427 949141864 /nfs/dbraw/zinc/14/18/64/949141864.db2.gz NAQQTBZOOSMGJS-SFYZADRCSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001575251427 949141876 /nfs/dbraw/zinc/14/18/76/949141876.db2.gz NAQQTBZOOSMGJS-SFYZADRCSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574933961 949146571 /nfs/dbraw/zinc/14/65/71/949146571.db2.gz ADHFSVIJUBHGJC-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574933961 949146581 /nfs/dbraw/zinc/14/65/81/949146581.db2.gz ADHFSVIJUBHGJC-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574934399 949160178 /nfs/dbraw/zinc/16/01/78/949160178.db2.gz HGMLCUWAOSJYAI-LBPRGKRZSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574934399 949160189 /nfs/dbraw/zinc/16/01/89/949160189.db2.gz HGMLCUWAOSJYAI-LBPRGKRZSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252411 949164687 /nfs/dbraw/zinc/16/46/87/949164687.db2.gz GDBPUDVZJVXSLT-GXFFZTMASA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252411 949164706 /nfs/dbraw/zinc/16/47/06/949164706.db2.gz GDBPUDVZJVXSLT-GXFFZTMASA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)c1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574697942 949167512 /nfs/dbraw/zinc/16/75/12/949167512.db2.gz DHKZRYSVZOFOSK-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)c1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574697942 949167528 /nfs/dbraw/zinc/16/75/28/949167528.db2.gz DHKZRYSVZOFOSK-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573787138 949167563 /nfs/dbraw/zinc/16/75/63/949167563.db2.gz NBAJEWCILUALPF-AOOOYVTPSA-N -1 3 379.446 0.144 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573787138 949167575 /nfs/dbraw/zinc/16/75/75/949167575.db2.gz NBAJEWCILUALPF-AOOOYVTPSA-N -1 3 379.446 0.144 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573787123 949168782 /nfs/dbraw/zinc/16/87/82/949168782.db2.gz PEFRTQZINHAHFM-SMDDNHRTSA-N -1 3 392.485 0.718 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573787123 949168795 /nfs/dbraw/zinc/16/87/95/949168795.db2.gz PEFRTQZINHAHFM-SMDDNHRTSA-N -1 3 392.485 0.718 20 0 GCADHM CC(C)CC(=O)N(C)CCOCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574099209 949172978 /nfs/dbraw/zinc/17/29/78/949172978.db2.gz JSIIOMLXCJWPGH-UHFFFAOYSA-N -1 3 377.449 0.788 20 0 GCADHM CC(C)CC(=O)N(C)CCOCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574099209 949172987 /nfs/dbraw/zinc/17/29/87/949172987.db2.gz JSIIOMLXCJWPGH-UHFFFAOYSA-N -1 3 377.449 0.788 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575253110 949178189 /nfs/dbraw/zinc/17/81/89/949178189.db2.gz SMDNCDGXJQKVFL-LDYMZIIASA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575253110 949178211 /nfs/dbraw/zinc/17/82/11/949178211.db2.gz SMDNCDGXJQKVFL-LDYMZIIASA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](OCC1CC1)C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574698168 949178535 /nfs/dbraw/zinc/17/85/35/949178535.db2.gz GUICNAVWKMAQSS-WDEREUQCSA-N -1 3 375.433 0.587 20 0 GCADHM 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/nfs/dbraw/zinc/25/14/76/949251476.db2.gz BUXCNZBNXWYTDE-NSHDSACASA-N -1 3 384.448 0.669 20 0 GCADHM C[C@@H](c1ncccn1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521164 949253455 /nfs/dbraw/zinc/25/34/55/949253455.db2.gz DBDHBBSFXUZXOC-RYUDHWBXSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H](c1ncccn1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521164 949253459 /nfs/dbraw/zinc/25/34/59/949253459.db2.gz DBDHBBSFXUZXOC-RYUDHWBXSA-N -1 3 383.416 0.177 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574452209 949255597 /nfs/dbraw/zinc/25/55/97/949255597.db2.gz GHFGPLKOIUENMQ-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574452209 949255621 /nfs/dbraw/zinc/25/56/21/949255621.db2.gz GHFGPLKOIUENMQ-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001575521293 949259483 /nfs/dbraw/zinc/25/94/83/949259483.db2.gz FMXLWCRGMOBZQJ-RTXFEEFZSA-N -1 3 382.432 0.088 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001574452246 949259846 /nfs/dbraw/zinc/25/98/46/949259846.db2.gz HOCINSYYAPDJGJ-JTQLQIEISA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001574452246 949259869 /nfs/dbraw/zinc/25/98/69/949259869.db2.gz HOCINSYYAPDJGJ-JTQLQIEISA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001574452476 949262080 /nfs/dbraw/zinc/26/20/80/949262080.db2.gz KIPBHZRUTNHINX-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001574452476 949262098 /nfs/dbraw/zinc/26/20/98/949262098.db2.gz KIPBHZRUTNHINX-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573792773 949262499 /nfs/dbraw/zinc/26/24/99/949262499.db2.gz DJESQMHUUCYHLF-BUXKBTBVSA-N -1 3 399.455 0.921 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573792773 949262510 /nfs/dbraw/zinc/26/25/10/949262510.db2.gz DJESQMHUUCYHLF-BUXKBTBVSA-N -1 3 399.455 0.921 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575256886 949262445 /nfs/dbraw/zinc/26/24/45/949262445.db2.gz XMOZAOFSPRUMKP-MNOVXSKESA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575256886 949262468 /nfs/dbraw/zinc/26/24/68/949262468.db2.gz XMOZAOFSPRUMKP-MNOVXSKESA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](c1ncccn1)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001575521917 949263002 /nfs/dbraw/zinc/26/30/02/949263002.db2.gz IBPYFCWGOLIGOM-FPMFFAJLSA-N -1 3 379.428 0.750 20 0 GCADHM C[C@@H](c1cnccn1)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575521919 949263265 /nfs/dbraw/zinc/26/32/65/949263265.db2.gz ICEGDGGCNHRHNL-MQIPJXDCSA-N -1 3 379.428 0.892 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@](C)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573792801 949266875 /nfs/dbraw/zinc/26/68/75/949266875.db2.gz DVCJGZKFGRRBAL-SFHVURJKSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@](C)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573792801 949266895 /nfs/dbraw/zinc/26/68/95/949266895.db2.gz DVCJGZKFGRRBAL-SFHVURJKSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001574452852 949267545 /nfs/dbraw/zinc/26/75/45/949267545.db2.gz OGHPWSADKOFOLY-NSHDSACASA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001574452852 949267562 /nfs/dbraw/zinc/26/75/62/949267562.db2.gz OGHPWSADKOFOLY-NSHDSACASA-N -1 3 384.404 0.012 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575522041 949268687 /nfs/dbraw/zinc/26/86/87/949268687.db2.gz KEFIAJHCAUSCIM-NEPJUHHUSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@H](c1cnccn1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575522465 949275052 /nfs/dbraw/zinc/27/50/52/949275052.db2.gz LTLHCXXWPBQBTB-XHBSWPGZSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153145 949276826 /nfs/dbraw/zinc/27/68/26/949276826.db2.gz KXKQFTVBFDBZBQ-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153145 949276838 /nfs/dbraw/zinc/27/68/38/949276838.db2.gz KXKQFTVBFDBZBQ-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)n1cc(C(=O)NCC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001574453002 949277149 /nfs/dbraw/zinc/27/71/49/949277149.db2.gz VFTGJBUIHACCAJ-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1cc(C(=O)NCC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001574453002 949277170 /nfs/dbraw/zinc/27/71/70/949277170.db2.gz VFTGJBUIHACCAJ-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001574453138 949278722 /nfs/dbraw/zinc/27/87/22/949278722.db2.gz WVOHWZFLRRMBBN-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001574453138 949278744 /nfs/dbraw/zinc/27/87/44/949278744.db2.gz WVOHWZFLRRMBBN-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575522909 949280988 /nfs/dbraw/zinc/28/09/88/949280988.db2.gz NIXDCALZWRHBAV-RYUDHWBXSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153411 949283546 /nfs/dbraw/zinc/28/35/46/949283546.db2.gz MAYADIMRQCROHY-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153411 949283568 /nfs/dbraw/zinc/28/35/68/949283568.db2.gz MAYADIMRQCROHY-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576153453 949283613 /nfs/dbraw/zinc/28/36/13/949283613.db2.gz MEDYTHOJTOKXED-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576153453 949283629 /nfs/dbraw/zinc/28/36/29/949283629.db2.gz MEDYTHOJTOKXED-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153415 949283896 /nfs/dbraw/zinc/28/38/96/949283896.db2.gz MAYADIMRQCROHY-PIGZYNQJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153415 949283918 /nfs/dbraw/zinc/28/39/18/949283918.db2.gz MAYADIMRQCROHY-PIGZYNQJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574702415 949284171 /nfs/dbraw/zinc/28/41/71/949284171.db2.gz ITQDSUUZNFBSIO-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574702415 949284187 /nfs/dbraw/zinc/28/41/87/949284187.db2.gz ITQDSUUZNFBSIO-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576153446 949284958 /nfs/dbraw/zinc/28/49/58/949284958.db2.gz MEDYTHOJTOKXED-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576153446 949284984 /nfs/dbraw/zinc/28/49/84/949284984.db2.gz MEDYTHOJTOKXED-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573793148 949287061 /nfs/dbraw/zinc/28/70/61/949287061.db2.gz MSOLHHKCPACWHL-HNNXBMFYSA-N -1 3 386.456 0.799 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573793148 949287078 /nfs/dbraw/zinc/28/70/78/949287078.db2.gz MSOLHHKCPACWHL-HNNXBMFYSA-N -1 3 386.456 0.799 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576153428 949288159 /nfs/dbraw/zinc/28/81/59/949288159.db2.gz MBKXFCNUTKADLI-XIKOKIGWSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576153428 949288174 /nfs/dbraw/zinc/28/81/74/949288174.db2.gz MBKXFCNUTKADLI-XIKOKIGWSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001574454778 949288600 /nfs/dbraw/zinc/28/86/00/949288600.db2.gz DFSWPGAKDRSBEQ-NSHDSACASA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001574454778 949288617 /nfs/dbraw/zinc/28/86/17/949288617.db2.gz DFSWPGAKDRSBEQ-NSHDSACASA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(CNC(=O)NCc2ccc(-c3nnn[n-]3)s2)c(=O)[nH]c1=O ZINC001574454753 949288968 /nfs/dbraw/zinc/28/89/68/949288968.db2.gz CBMRMOTTWSBZMK-UHFFFAOYSA-N -1 3 390.429 0.771 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575257920 949289088 /nfs/dbraw/zinc/28/90/88/949289088.db2.gz CTQMQCMXOXNZRA-WDEREUQCSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575257920 949289106 /nfs/dbraw/zinc/28/91/06/949289106.db2.gz CTQMQCMXOXNZRA-WDEREUQCSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575523456 949290792 /nfs/dbraw/zinc/29/07/92/949290792.db2.gz QEIRKFGNWPNZRD-GXSJLCMTSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575523456 949290810 /nfs/dbraw/zinc/29/08/10/949290810.db2.gz QEIRKFGNWPNZRD-GXSJLCMTSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575523404 949292286 /nfs/dbraw/zinc/29/22/86/949292286.db2.gz PUBBHDUHTLBZCR-VIFPVBQESA-N -1 3 383.416 0.973 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575523404 949292309 /nfs/dbraw/zinc/29/23/09/949292309.db2.gz PUBBHDUHTLBZCR-VIFPVBQESA-N -1 3 383.416 0.973 20 0 GCADHM C[C@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575523458 949293624 /nfs/dbraw/zinc/29/36/24/949293624.db2.gz QEIRKFGNWPNZRD-KOLCDFICSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575523458 949293646 /nfs/dbraw/zinc/29/36/46/949293646.db2.gz QEIRKFGNWPNZRD-KOLCDFICSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@@H](c1ncccn1)N(C)CCOCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575523473 949294482 /nfs/dbraw/zinc/29/44/82/949294482.db2.gz QFNAWFVTBRPEFB-LBPRGKRZSA-N -1 3 385.432 0.424 20 0 GCADHM C[C@@H](c1ncccn1)N(C)CCOCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575523473 949294500 /nfs/dbraw/zinc/29/45/00/949294500.db2.gz QFNAWFVTBRPEFB-LBPRGKRZSA-N -1 3 385.432 0.424 20 0 GCADHM CC(C)n1cc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]c1=O ZINC001574454992 949295243 /nfs/dbraw/zinc/29/52/43/949295243.db2.gz KUVGMIZITJLHTC-UHFFFAOYSA-N -1 3 384.400 0.438 20 0 GCADHM CC(C)n1cc(CN2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001574454983 949296359 /nfs/dbraw/zinc/29/63/59/949296359.db2.gz KLMQAWIQDYAOMG-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001574454983 949296381 /nfs/dbraw/zinc/29/63/81/949296381.db2.gz KLMQAWIQDYAOMG-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM C[C@@H](NC(=O)C1CC(F)(F)C1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575258269 949296790 /nfs/dbraw/zinc/29/67/90/949296790.db2.gz GGOVOMJLOYXQDG-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)C1CC(F)(F)C1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575258269 949296810 /nfs/dbraw/zinc/29/68/10/949296810.db2.gz GGOVOMJLOYXQDG-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)C1CCC(O)CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575258287 949299434 /nfs/dbraw/zinc/29/94/34/949299434.db2.gz GPTHZJJNMHBBPP-CDWSIMAYSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)C1CCC(O)CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575258287 949299445 /nfs/dbraw/zinc/29/94/45/949299445.db2.gz GPTHZJJNMHBBPP-CDWSIMAYSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)n1cc(CN2CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001574455225 949299861 /nfs/dbraw/zinc/29/98/61/949299861.db2.gz MZCGYJZHMSBLDJ-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001574455225 949299884 /nfs/dbraw/zinc/29/98/84/949299884.db2.gz MZCGYJZHMSBLDJ-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576153792 949299936 /nfs/dbraw/zinc/29/99/36/949299936.db2.gz BGUPDORGAXPEAN-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576153792 949299962 /nfs/dbraw/zinc/29/99/62/949299962.db2.gz BGUPDORGAXPEAN-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCO2 ZINC001574108856 949302979 /nfs/dbraw/zinc/30/29/79/949302979.db2.gz SLXGDOXSJAPEND-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001574108856 949302998 /nfs/dbraw/zinc/30/29/98/949302998.db2.gz SLXGDOXSJAPEND-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CC(=O)N1CCC[C@H](N(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574108807 949305931 /nfs/dbraw/zinc/30/59/31/949305931.db2.gz RCMOXKIPHQOXJC-AWEZNQCLSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N1CCC[C@H](N(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574108807 949305950 /nfs/dbraw/zinc/30/59/50/949305950.db2.gz RCMOXKIPHQOXJC-AWEZNQCLSA-N -1 3 389.460 0.666 20 0 GCADHM CC1=C(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860636 949306820 /nfs/dbraw/zinc/30/68/20/949306820.db2.gz KNUKTHAMBYTGQA-GWCFXTLKSA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860636 949306843 /nfs/dbraw/zinc/30/68/43/949306843.db2.gz KNUKTHAMBYTGQA-GWCFXTLKSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574703055 949306968 /nfs/dbraw/zinc/30/69/68/949306968.db2.gz PYRVWCVTAVILGD-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574703055 949306990 /nfs/dbraw/zinc/30/69/90/949306990.db2.gz PYRVWCVTAVILGD-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524092 949309540 /nfs/dbraw/zinc/30/95/40/949309540.db2.gz SDLFIIARLCALPF-VIFPVBQESA-N -1 3 383.416 0.878 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524092 949309566 /nfs/dbraw/zinc/30/95/66/949309566.db2.gz SDLFIIARLCALPF-VIFPVBQESA-N -1 3 383.416 0.878 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575524007 949309814 /nfs/dbraw/zinc/30/98/14/949309814.db2.gz RSXWDKCVLSTQCZ-MWLCHTKSSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575524007 949309833 /nfs/dbraw/zinc/30/98/33/949309833.db2.gz RSXWDKCVLSTQCZ-MWLCHTKSSA-N -1 3 391.461 0.172 20 0 GCADHM CC1=C(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860637 949310038 /nfs/dbraw/zinc/31/00/38/949310038.db2.gz KNUKTHAMBYTGQA-GXFFZTMASA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860637 949310066 /nfs/dbraw/zinc/31/00/66/949310066.db2.gz KNUKTHAMBYTGQA-GXFFZTMASA-N -1 3 385.428 0.998 20 0 GCADHM C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nnn[n-]4)c3)C[C@@]1(C)C(=O)NC2=O ZINC001575860947 949311984 /nfs/dbraw/zinc/31/19/84/949311984.db2.gz NUXWZOKXFFCLBS-YRQNITAISA-N -1 3 380.408 0.481 20 0 GCADHM C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nn[n-]n4)c3)C[C@@]1(C)C(=O)NC2=O ZINC001575860947 949312006 /nfs/dbraw/zinc/31/20/06/949312006.db2.gz NUXWZOKXFFCLBS-YRQNITAISA-N -1 3 380.408 0.481 20 0 GCADHM CC1=C(C(=O)NCC2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575860906 949313723 /nfs/dbraw/zinc/31/37/23/949313723.db2.gz MEAWMOBRDSYBFC-UHFFFAOYSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NCC2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575860906 949313740 /nfs/dbraw/zinc/31/37/40/949313740.db2.gz MEAWMOBRDSYBFC-UHFFFAOYSA-N -1 3 385.428 0.904 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573794711 949315780 /nfs/dbraw/zinc/31/57/80/949315780.db2.gz HYWNNLUAPNSHNL-HNNXBMFYSA-N -1 3 386.456 0.799 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573794711 949315800 /nfs/dbraw/zinc/31/58/00/949315800.db2.gz HYWNNLUAPNSHNL-HNNXBMFYSA-N -1 3 386.456 0.799 20 0 GCADHM CC1=C(C(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001575861250 949319021 /nfs/dbraw/zinc/31/90/21/949319021.db2.gz QTCGZFPUOYJBGO-GOSISDBHSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001575861250 949319039 /nfs/dbraw/zinc/31/90/39/949319039.db2.gz QTCGZFPUOYJBGO-GOSISDBHSA-N -1 3 385.428 1.000 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573794617 949319228 /nfs/dbraw/zinc/31/92/28/949319228.db2.gz GMRRHAXAVKRIFU-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573794617 949319250 /nfs/dbraw/zinc/31/92/50/949319250.db2.gz GMRRHAXAVKRIFU-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001575524578 949320100 /nfs/dbraw/zinc/32/01/00/949320100.db2.gz UVTMSEQOQJSJGN-TWJQMWNJSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001575524578 949320121 /nfs/dbraw/zinc/32/01/21/949320121.db2.gz UVTMSEQOQJSJGN-TWJQMWNJSA-N -1 3 382.432 0.420 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574457331 949321474 /nfs/dbraw/zinc/32/14/74/949321474.db2.gz GYDFKOCKNYHCPS-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574457331 949321497 /nfs/dbraw/zinc/32/14/97/949321497.db2.gz GYDFKOCKNYHCPS-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC1=C(C(=O)N[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCO1 ZINC001575860983 949321954 /nfs/dbraw/zinc/32/19/54/949321954.db2.gz OUNDDGCZPWUWBA-OAHLLOKOSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)N[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCO1 ZINC001575860983 949321981 /nfs/dbraw/zinc/32/19/81/949321981.db2.gz OUNDDGCZPWUWBA-OAHLLOKOSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575524482 949322201 /nfs/dbraw/zinc/32/22/01/949322201.db2.gz SZYBAQXBJSUESK-GHMZBOCLSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575524482 949322220 /nfs/dbraw/zinc/32/22/20/949322220.db2.gz SZYBAQXBJSUESK-GHMZBOCLSA-N -1 3 385.436 0.016 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575861279 949324433 /nfs/dbraw/zinc/32/44/33/949324433.db2.gz RRFVJKHVQKHVAE-GFCCVEGCSA-N -1 3 385.428 0.858 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575861279 949324453 /nfs/dbraw/zinc/32/44/53/949324453.db2.gz RRFVJKHVQKHVAE-GFCCVEGCSA-N -1 3 385.428 0.858 20 0 GCADHM CC(C)CC(=O)N1CCN([C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001574109708 949324742 /nfs/dbraw/zinc/32/47/42/949324742.db2.gz ANIOTPJPROHZHI-CQSZACIVSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)n1ccc(C(=O)NCC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574457346 949327159 /nfs/dbraw/zinc/32/71/59/949327159.db2.gz IFYDOVLCFCOIFM-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1ccc(C(=O)NCC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574457346 949327183 /nfs/dbraw/zinc/32/71/83/949327183.db2.gz IFYDOVLCFCOIFM-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524904 949327811 /nfs/dbraw/zinc/32/78/11/949327811.db2.gz KXIHSAWVZBFWSE-SECBINFHSA-N -1 3 383.420 0.034 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524904 949327835 /nfs/dbraw/zinc/32/78/35/949327835.db2.gz KXIHSAWVZBFWSE-SECBINFHSA-N -1 3 383.420 0.034 20 0 GCADHM C[C@@H](c1ncccn1)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575524620 949329533 /nfs/dbraw/zinc/32/95/33/949329533.db2.gz UZMPVDSLBVKGFY-ZDEQEGDKSA-N -1 3 379.428 0.654 20 0 GCADHM CC(C)n1ccc(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001574457781 949329741 /nfs/dbraw/zinc/32/97/41/949329741.db2.gz ODEDPAKZWNJXJR-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)n1ccc(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574457781 949329761 /nfs/dbraw/zinc/32/97/61/949329761.db2.gz ODEDPAKZWNJXJR-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001575259461 949329733 /nfs/dbraw/zinc/32/97/33/949329733.db2.gz OSSOLOWZPXMWGN-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001575259461 949329750 /nfs/dbraw/zinc/32/97/50/949329750.db2.gz OSSOLOWZPXMWGN-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575259610 949332185 /nfs/dbraw/zinc/33/21/85/949332185.db2.gz PTFAMYQNNUVAKZ-NSHDSACASA-N -1 3 388.403 0.831 20 0 GCADHM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575259698 949334236 /nfs/dbraw/zinc/33/42/36/949334236.db2.gz PZQNQNUPCDWSHQ-NWDGAFQWSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575259698 949334256 /nfs/dbraw/zinc/33/42/56/949334256.db2.gz PZQNQNUPCDWSHQ-NWDGAFQWSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@@H](c1ncccn1)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575525075 949335289 /nfs/dbraw/zinc/33/52/89/949335289.db2.gz VZRJPFVOCBDISY-LBPRGKRZSA-N -1 3 379.428 0.894 20 0 GCADHM C[C@@H](c1ncccn1)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575525075 949335308 /nfs/dbraw/zinc/33/53/08/949335308.db2.gz VZRJPFVOCBDISY-LBPRGKRZSA-N -1 3 379.428 0.894 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574458197 949336302 /nfs/dbraw/zinc/33/63/02/949336302.db2.gz QMCUIGPKWWYCCE-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574458197 949336325 /nfs/dbraw/zinc/33/63/25/949336325.db2.gz QMCUIGPKWWYCCE-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC1=C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001575861916 949336608 /nfs/dbraw/zinc/33/66/08/949336608.db2.gz WZPZCHGFUFCZCG-NHAGDIPZSA-N -1 3 383.412 0.466 20 0 GCADHM CC1=C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001575861916 949336633 /nfs/dbraw/zinc/33/66/33/949336633.db2.gz WZPZCHGFUFCZCG-NHAGDIPZSA-N -1 3 383.412 0.466 20 0 GCADHM C[C@]1(C(=O)N(CCO)CCNc2cccc(F)c2-c2nnn[n-]2)CCOC1 ZINC001575525384 949339643 /nfs/dbraw/zinc/33/96/43/949339643.db2.gz MZFXBRVRSURJIZ-KRWDZBQOSA-N -1 3 378.408 0.665 20 0 GCADHM C[C@]1(C(=O)N(CCO)CCNc2cccc(F)c2-c2nn[n-]n2)CCOC1 ZINC001575525384 949339662 /nfs/dbraw/zinc/33/96/62/949339662.db2.gz MZFXBRVRSURJIZ-KRWDZBQOSA-N -1 3 378.408 0.665 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)CCCO1 ZINC001575862152 949339955 /nfs/dbraw/zinc/33/99/55/949339955.db2.gz YDHQWVYDWNDDBU-MFKMUULPSA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)CCCO1 ZINC001575862152 949339972 /nfs/dbraw/zinc/33/99/72/949339972.db2.gz YDHQWVYDWNDDBU-MFKMUULPSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575525177 949340747 /nfs/dbraw/zinc/34/07/47/949340747.db2.gz WKQLDUARUFEVTO-WCQYABFASA-N -1 3 384.448 0.669 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575525394 949341430 /nfs/dbraw/zinc/34/14/30/949341430.db2.gz NCOSOQDVGCNNBY-JQWIXIFHSA-N -1 3 385.436 0.064 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575525394 949341450 /nfs/dbraw/zinc/34/14/50/949341450.db2.gz NCOSOQDVGCNNBY-JQWIXIFHSA-N -1 3 385.436 0.064 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCc3cc(-c4nnn[n-]4)ccc32)Cn2nnnc2N1C ZINC001575862168 949342592 /nfs/dbraw/zinc/34/25/92/949342592.db2.gz YKHMZPCDKRYCGN-CQSZACIVSA-N -1 3 378.400 0.381 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)Cn2nnnc2N1C ZINC001575862168 949342612 /nfs/dbraw/zinc/34/26/12/949342612.db2.gz YKHMZPCDKRYCGN-CQSZACIVSA-N -1 3 378.400 0.381 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573796914 949345727 /nfs/dbraw/zinc/34/57/27/949345727.db2.gz WVLWSZDBXCYGGH-AWEZNQCLSA-N -1 3 390.419 0.896 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573796914 949345749 /nfs/dbraw/zinc/34/57/49/949345749.db2.gz WVLWSZDBXCYGGH-AWEZNQCLSA-N -1 3 390.419 0.896 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001575525532 949346890 /nfs/dbraw/zinc/34/68/90/949346890.db2.gz XDVRANWVOUEQIT-NQBHXWOUSA-N -1 3 384.448 0.382 20 0 GCADHM CC(C)n1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574458678 949346602 /nfs/dbraw/zinc/34/66/02/949346602.db2.gz XMOCVNNRKWGOLZ-IAQYHMDHSA-N -1 3 397.443 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574458678 949346623 /nfs/dbraw/zinc/34/66/23/949346623.db2.gz XMOCVNNRKWGOLZ-IAQYHMDHSA-N -1 3 397.443 0.863 20 0 GCADHM C[C@@H](c1nncn1C)N1CC=C(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575525569 949348794 /nfs/dbraw/zinc/34/87/94/949348794.db2.gz XZMXOFISIVBJQV-NSHDSACASA-N -1 3 382.432 0.446 20 0 GCADHM C[C@@H](c1nncn1C)N1CC=C(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575525569 949348815 /nfs/dbraw/zinc/34/88/15/949348815.db2.gz XZMXOFISIVBJQV-NSHDSACASA-N -1 3 382.432 0.446 20 0 GCADHM C[C@H](c1csnn1)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575525623 949350001 /nfs/dbraw/zinc/35/00/01/949350001.db2.gz YQUMSNDCOIQDRC-SNVBAGLBSA-N -1 3 385.457 0.955 20 0 GCADHM C[C@H](c1csnn1)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575525623 949350025 /nfs/dbraw/zinc/35/00/25/949350025.db2.gz YQUMSNDCOIQDRC-SNVBAGLBSA-N -1 3 385.457 0.955 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574459331 949351869 /nfs/dbraw/zinc/35/18/69/949351869.db2.gz ATOKVZVLEMCJBV-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574459331 949351890 /nfs/dbraw/zinc/35/18/90/949351890.db2.gz ATOKVZVLEMCJBV-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573798469 949354543 /nfs/dbraw/zinc/35/45/43/949354543.db2.gz BUTGLXOHPIAGJK-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573798469 949354564 /nfs/dbraw/zinc/35/45/64/949354564.db2.gz BUTGLXOHPIAGJK-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576154708 949355633 /nfs/dbraw/zinc/35/56/33/949355633.db2.gz QZMWAMJCVWPQBD-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576154708 949355656 /nfs/dbraw/zinc/35/56/56/949355656.db2.gz QZMWAMJCVWPQBD-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2ncccc2-c2nnn[n-]2)n1 ZINC001574459436 949358981 /nfs/dbraw/zinc/35/89/81/949358981.db2.gz GHLQWRJOPIHFHY-CYBMUJFWSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)n1 ZINC001574459436 949359002 /nfs/dbraw/zinc/35/90/02/949359002.db2.gz GHLQWRJOPIHFHY-CYBMUJFWSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573798799 949360678 /nfs/dbraw/zinc/36/06/78/949360678.db2.gz GZPPNBKHGOLDBM-STQMWFEESA-N -1 3 384.444 0.214 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573798799 949360702 /nfs/dbraw/zinc/36/07/02/949360702.db2.gz GZPPNBKHGOLDBM-STQMWFEESA-N -1 3 384.444 0.214 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001574110660 949361755 /nfs/dbraw/zinc/36/17/55/949361755.db2.gz AAMFEMPHHAWPND-ZDUSSCGKSA-N -1 3 385.428 0.162 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001574110660 949361773 /nfs/dbraw/zinc/36/17/73/949361773.db2.gz AAMFEMPHHAWPND-ZDUSSCGKSA-N -1 3 385.428 0.162 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccn(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574942722 949366058 /nfs/dbraw/zinc/36/60/58/949366058.db2.gz RTGUJPNJKFMTEM-JTQLQIEISA-N -1 3 389.851 0.832 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccn(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574942722 949366080 /nfs/dbraw/zinc/36/60/80/949366080.db2.gz RTGUJPNJKFMTEM-JTQLQIEISA-N -1 3 389.851 0.832 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)n1 ZINC001574460354 949369998 /nfs/dbraw/zinc/36/99/98/949369998.db2.gz TZCMRRBMEGMWJX-CYBMUJFWSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)n1 ZINC001574460354 949370013 /nfs/dbraw/zinc/37/00/13/949370013.db2.gz TZCMRRBMEGMWJX-CYBMUJFWSA-N -1 3 385.432 0.171 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260979 949370045 /nfs/dbraw/zinc/37/00/45/949370045.db2.gz ZAGGRTJCPWMGFR-WDEREUQCSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260979 949370065 /nfs/dbraw/zinc/37/00/65/949370065.db2.gz ZAGGRTJCPWMGFR-WDEREUQCSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575865459 949373568 /nfs/dbraw/zinc/37/35/68/949373568.db2.gz ANLWIYSWCGGHPK-BDAKNGLRSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575865459 949373594 /nfs/dbraw/zinc/37/35/94/949373594.db2.gz ANLWIYSWCGGHPK-BDAKNGLRSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575262802 949382339 /nfs/dbraw/zinc/38/23/39/949382339.db2.gz CEEPBOWOFCBJJV-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575262802 949382360 /nfs/dbraw/zinc/38/23/60/949382360.db2.gz CEEPBOWOFCBJJV-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574111893 949383029 /nfs/dbraw/zinc/38/30/29/949383029.db2.gz IKLUHIHAUGGOFZ-LBPRGKRZSA-N -1 3 377.380 0.351 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574111893 949383051 /nfs/dbraw/zinc/38/30/51/949383051.db2.gz IKLUHIHAUGGOFZ-LBPRGKRZSA-N -1 3 377.380 0.351 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCOC1)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575262790 949383648 /nfs/dbraw/zinc/38/36/48/949383648.db2.gz CDFDDPKQHCSJEO-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCOC1)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575262790 949383674 /nfs/dbraw/zinc/38/36/74/949383674.db2.gz CDFDDPKQHCSJEO-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575527955 949387170 /nfs/dbraw/zinc/38/71/70/949387170.db2.gz KFVPDMZWXQQITD-UGSOOPFHSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575527955 949387191 /nfs/dbraw/zinc/38/71/91/949387191.db2.gz KFVPDMZWXQQITD-UGSOOPFHSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001574463885 949389436 /nfs/dbraw/zinc/38/94/36/949389436.db2.gz AEFUYZWJYSEABM-LLVKDONJSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC001574463885 949389456 /nfs/dbraw/zinc/38/94/56/949389456.db2.gz AEFUYZWJYSEABM-LLVKDONJSA-N -1 3 388.407 0.986 20 0 GCADHM CC1(C(=O)N2CC3(C2)C[C@@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)CO3)CCC1 ZINC001575528265 949392370 /nfs/dbraw/zinc/39/23/70/949392370.db2.gz QAICYOORQZPWFS-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N2CC3(C2)C[C@@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)CO3)CCC1 ZINC001575528265 949392393 /nfs/dbraw/zinc/39/23/93/949392393.db2.gz QAICYOORQZPWFS-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574944557 949396519 /nfs/dbraw/zinc/39/65/19/949396519.db2.gz FDVZEJYYPZGYQP-GFCCVEGCSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574944557 949396548 /nfs/dbraw/zinc/39/65/48/949396548.db2.gz FDVZEJYYPZGYQP-GFCCVEGCSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574704583 949398407 /nfs/dbraw/zinc/39/84/07/949398407.db2.gz DEDJGQBOBOILMV-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574704583 949398427 /nfs/dbraw/zinc/39/84/27/949398427.db2.gz DEDJGQBOBOILMV-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)Cc1cnn(C)c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574944877 949400049 /nfs/dbraw/zinc/40/00/49/949400049.db2.gz HRTSXSVEWWZPLD-GFCCVEGCSA-N -1 3 386.435 0.919 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575263730 949402581 /nfs/dbraw/zinc/40/25/81/949402581.db2.gz JBMNYCHAWURSHS-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575263730 949402597 /nfs/dbraw/zinc/40/25/97/949402597.db2.gz JBMNYCHAWURSHS-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575528566 949403468 /nfs/dbraw/zinc/40/34/68/949403468.db2.gz XIRYHWUDXGGFRV-JCGVRSQUSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575528566 949403478 /nfs/dbraw/zinc/40/34/78/949403478.db2.gz XIRYHWUDXGGFRV-JCGVRSQUSA-N -1 3 385.428 0.437 20 0 GCADHM CC1(C(=O)N2CC3(C2)CC[C@@H](CNC(=O)c2ccc(-c4nnn[n-]4)[nH]2)O3)CC1 ZINC001575528579 949404660 /nfs/dbraw/zinc/40/46/60/949404660.db2.gz XUDVXYAQSKDSLZ-NSHDSACASA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N2CC3(C2)CC[C@@H](CNC(=O)c2ccc(-c4nn[n-]n4)[nH]2)O3)CC1 ZINC001575528579 949404675 /nfs/dbraw/zinc/40/46/75/949404675.db2.gz XUDVXYAQSKDSLZ-NSHDSACASA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N2CCC(N(CCO)c3ncc(-c4nnn[n-]4)cc3F)CC2)CC1 ZINC001575532826 949408028 /nfs/dbraw/zinc/40/80/28/949408028.db2.gz AEGAOVCQGAQDFR-UHFFFAOYSA-N -1 3 389.435 0.991 20 0 GCADHM CC1(C(=O)N2CCC(N(CCO)c3ncc(-c4nn[n-]n4)cc3F)CC2)CC1 ZINC001575532826 949408041 /nfs/dbraw/zinc/40/80/41/949408041.db2.gz AEGAOVCQGAQDFR-UHFFFAOYSA-N -1 3 389.435 0.991 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575533145 949410997 /nfs/dbraw/zinc/41/09/97/949410997.db2.gz DNHJUHROMZXECK-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575533145 949411012 /nfs/dbraw/zinc/41/10/12/949411012.db2.gz DNHJUHROMZXECK-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM CC1(C(=O)N2CCC(CO)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCC1 ZINC001575533342 949414233 /nfs/dbraw/zinc/41/42/33/949414233.db2.gz GZEDCRUEYVHWMV-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CCC(CO)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCC1 ZINC001575533342 949414241 /nfs/dbraw/zinc/41/42/41/949414241.db2.gz GZEDCRUEYVHWMV-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573802420 949416933 /nfs/dbraw/zinc/41/69/33/949416933.db2.gz GTKUFUPIFRYDPH-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573802420 949416945 /nfs/dbraw/zinc/41/69/45/949416945.db2.gz GTKUFUPIFRYDPH-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573802369 949417972 /nfs/dbraw/zinc/41/79/72/949417972.db2.gz GAXDJCZHLUOROU-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573802369 949417979 /nfs/dbraw/zinc/41/79/79/949417979.db2.gz GAXDJCZHLUOROU-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575264210 949419327 /nfs/dbraw/zinc/41/93/27/949419327.db2.gz MXDHEYVUBQJZET-NSHDSACASA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575264210 949419341 /nfs/dbraw/zinc/41/93/41/949419341.db2.gz MXDHEYVUBQJZET-NSHDSACASA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574705272 949419872 /nfs/dbraw/zinc/41/98/72/949419872.db2.gz GYCFWUBGNXVMGG-ZWNOBZJWSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574705272 949419890 /nfs/dbraw/zinc/41/98/90/949419890.db2.gz GYCFWUBGNXVMGG-ZWNOBZJWSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCO1)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575264303 949420052 /nfs/dbraw/zinc/42/00/52/949420052.db2.gz NNZXYBDURFZCBQ-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCO1)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575264303 949420071 /nfs/dbraw/zinc/42/00/71/949420071.db2.gz NNZXYBDURFZCBQ-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575866611 949420190 /nfs/dbraw/zinc/42/01/90/949420190.db2.gz HDGCEXDBIZNJJX-WCBMZHEXSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575866611 949420205 /nfs/dbraw/zinc/42/02/05/949420205.db2.gz HDGCEXDBIZNJJX-WCBMZHEXSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575264221 949421967 /nfs/dbraw/zinc/42/19/67/949421967.db2.gz NAIIITRCFINUFX-RISCZKNCSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575264221 949421985 /nfs/dbraw/zinc/42/19/85/949421985.db2.gz NAIIITRCFINUFX-RISCZKNCSA-N -1 3 389.460 0.977 20 0 GCADHM CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575534170 949423276 /nfs/dbraw/zinc/42/32/76/949423276.db2.gz KOQBLIVFIMAIRB-LBPRGKRZSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575534170 949423287 /nfs/dbraw/zinc/42/32/87/949423287.db2.gz KOQBLIVFIMAIRB-LBPRGKRZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575264586 949428785 /nfs/dbraw/zinc/42/87/85/949428785.db2.gz PBZPOYSWJJUENU-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575264586 949428798 /nfs/dbraw/zinc/42/87/98/949428798.db2.gz PBZPOYSWJJUENU-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575264585 949430032 /nfs/dbraw/zinc/43/00/32/949430032.db2.gz PBZPOYSWJJUENU-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573802912 949430157 /nfs/dbraw/zinc/43/01/57/949430157.db2.gz LVAMVRGQCFQJRQ-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573802912 949430173 /nfs/dbraw/zinc/43/01/73/949430173.db2.gz LVAMVRGQCFQJRQ-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575264585 949430042 /nfs/dbraw/zinc/43/00/42/949430042.db2.gz PBZPOYSWJJUENU-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575534815 949430667 /nfs/dbraw/zinc/43/06/67/949430667.db2.gz QDVGQYGXUMSQDS-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575534815 949430685 /nfs/dbraw/zinc/43/06/85/949430685.db2.gz QDVGQYGXUMSQDS-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575264809 949433906 /nfs/dbraw/zinc/43/39/06/949433906.db2.gz QTDNTWXMTBTVKH-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575264809 949433923 /nfs/dbraw/zinc/43/39/23/949433923.db2.gz QTDNTWXMTBTVKH-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)Cc1ncccc1F)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574946297 949434080 /nfs/dbraw/zinc/43/40/80/949434080.db2.gz UPXGDHQXNJCXBB-SNVBAGLBSA-N -1 3 386.391 0.454 20 0 GCADHM C[C@H](CNC(=O)Cc1ncccc1F)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574946297 949434095 /nfs/dbraw/zinc/43/40/95/949434095.db2.gz UPXGDHQXNJCXBB-SNVBAGLBSA-N -1 3 386.391 0.454 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574705610 949435559 /nfs/dbraw/zinc/43/55/59/949435559.db2.gz JFBZMOAPOCLDHE-DGCLKSJQSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574705610 949435570 /nfs/dbraw/zinc/43/55/70/949435570.db2.gz JFBZMOAPOCLDHE-DGCLKSJQSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574705611 949435955 /nfs/dbraw/zinc/43/59/55/949435955.db2.gz JFBZMOAPOCLDHE-WCQYABFASA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574705611 949435964 /nfs/dbraw/zinc/43/59/64/949435964.db2.gz JFBZMOAPOCLDHE-WCQYABFASA-N -1 3 387.448 0.454 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001573803203 949436233 /nfs/dbraw/zinc/43/62/33/949436233.db2.gz MEJIFABFMGBCDQ-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001573803203 949436242 /nfs/dbraw/zinc/43/62/42/949436242.db2.gz MEJIFABFMGBCDQ-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCNC1=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575264989 949437819 /nfs/dbraw/zinc/43/78/19/949437819.db2.gz RKRLJEAYVHNVAK-HZMBPMFUSA-N -1 3 387.419 0.078 20 0 GCADHM C[C@@H](NC(=O)[C@H]1COCCO1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575264959 949438877 /nfs/dbraw/zinc/43/88/77/949438877.db2.gz RFNMGOQRUFMILY-ZWNOBZJWSA-N -1 3 378.458 0.280 20 0 GCADHM C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575265227 949442284 /nfs/dbraw/zinc/44/22/84/949442284.db2.gz SMDPTHILLQSIOE-LKFCYVNXSA-N -1 3 389.391 0.051 20 0 GCADHM C[C@@]1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)CCNC1=O ZINC001575535546 949448138 /nfs/dbraw/zinc/44/81/38/949448138.db2.gz YJWSJDALGGBPMX-LJQANCHMSA-N -1 3 397.439 0.570 20 0 GCADHM C[C@@]1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)CCNC1=O ZINC001575535546 949448144 /nfs/dbraw/zinc/44/81/44/949448144.db2.gz YJWSJDALGGBPMX-LJQANCHMSA-N -1 3 397.439 0.570 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574467958 949449135 /nfs/dbraw/zinc/44/91/35/949449135.db2.gz AWJFWGYQMKGCAI-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574467958 949449151 /nfs/dbraw/zinc/44/91/51/949449151.db2.gz AWJFWGYQMKGCAI-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575265603 949452497 /nfs/dbraw/zinc/45/24/97/949452497.db2.gz VMYCGDFEPJOABM-GFCCVEGCSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575265603 949452510 /nfs/dbraw/zinc/45/25/10/949452510.db2.gz VMYCGDFEPJOABM-GFCCVEGCSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574947890 949454593 /nfs/dbraw/zinc/45/45/93/949454593.db2.gz FPMNEJNFVWLGRL-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574947890 949454605 /nfs/dbraw/zinc/45/46/05/949454605.db2.gz FPMNEJNFVWLGRL-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@](CNC(=O)Cn1ccnc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574947908 949456218 /nfs/dbraw/zinc/45/62/18/949456218.db2.gz FSFALRNRIZRHGM-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@](CNC(=O)Cn1ccnc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574947908 949456237 /nfs/dbraw/zinc/45/62/37/949456237.db2.gz FSFALRNRIZRHGM-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM CC(C)CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001574117388 949465362 /nfs/dbraw/zinc/46/53/62/949465362.db2.gz SJNVFXXGAZHXNE-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001574117388 949465371 /nfs/dbraw/zinc/46/53/71/949465371.db2.gz SJNVFXXGAZHXNE-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575266103 949465586 /nfs/dbraw/zinc/46/55/86/949465586.db2.gz XERJCAMQEBHKLC-LLVKDONJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575266103 949465615 /nfs/dbraw/zinc/46/56/15/949465615.db2.gz XERJCAMQEBHKLC-LLVKDONJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@](CNC(=O)Cn1cccn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574948607 949466561 /nfs/dbraw/zinc/46/65/61/949466561.db2.gz LSRGXTREAXOESS-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@](CNC(=O)Cn1cccn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574948607 949466576 /nfs/dbraw/zinc/46/65/76/949466576.db2.gz LSRGXTREAXOESS-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574707299 949466693 /nfs/dbraw/zinc/46/66/93/949466693.db2.gz ONYNDCUHLZYLAD-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574707299 949466710 /nfs/dbraw/zinc/46/67/10/949466710.db2.gz ONYNDCUHLZYLAD-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574948672 949468680 /nfs/dbraw/zinc/46/86/80/949468680.db2.gz LVUDCLUFMNFPJN-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574948672 949468698 /nfs/dbraw/zinc/46/86/98/949468698.db2.gz LVUDCLUFMNFPJN-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCNC(=O)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266197 949472492 /nfs/dbraw/zinc/47/24/92/949472492.db2.gz XWEXMFUZSDCNMB-QWRGUYRKSA-N -1 3 389.485 0.391 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266199 949473071 /nfs/dbraw/zinc/47/30/71/949473071.db2.gz XWEXMFUZSDCNMB-WDEREUQCSA-N -1 3 389.485 0.391 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574948992 949475741 /nfs/dbraw/zinc/47/57/41/949475741.db2.gz PEQYXWJUVPDUSM-MRVPVSSYSA-N -1 3 379.787 0.868 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574948992 949475751 /nfs/dbraw/zinc/47/57/51/949475751.db2.gz PEQYXWJUVPDUSM-MRVPVSSYSA-N -1 3 379.787 0.868 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574469467 949480006 /nfs/dbraw/zinc/48/00/06/949480006.db2.gz DUOCVINRKWUFKG-NSHDSACASA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574469467 949480021 /nfs/dbraw/zinc/48/00/21/949480021.db2.gz DUOCVINRKWUFKG-NSHDSACASA-N -1 3 388.407 0.986 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574949082 949480598 /nfs/dbraw/zinc/48/05/98/949480598.db2.gz QLHITSXUBUIHKV-SNVBAGLBSA-N -1 3 375.824 0.976 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574949082 949480613 /nfs/dbraw/zinc/48/06/13/949480613.db2.gz QLHITSXUBUIHKV-SNVBAGLBSA-N -1 3 375.824 0.976 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574469776 949482538 /nfs/dbraw/zinc/48/25/38/949482538.db2.gz GVCFVRUWLIRHLK-LBPRGKRZSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574469776 949482557 /nfs/dbraw/zinc/48/25/57/949482557.db2.gz GVCFVRUWLIRHLK-LBPRGKRZSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1nccc1C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574469813 949483801 /nfs/dbraw/zinc/48/38/01/949483801.db2.gz HFDGNXANMYNQMK-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1nccc1C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574469813 949483813 /nfs/dbraw/zinc/48/38/13/949483813.db2.gz HFDGNXANMYNQMK-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccccc1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574949287 949484206 /nfs/dbraw/zinc/48/42/06/949484206.db2.gz SGHPMJKXELTYPP-NSHDSACASA-N -1 3 386.391 0.427 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccccc1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574949287 949484220 /nfs/dbraw/zinc/48/42/20/949484220.db2.gz SGHPMJKXELTYPP-NSHDSACASA-N -1 3 386.391 0.427 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573806476 949487636 /nfs/dbraw/zinc/48/76/36/949487636.db2.gz PCBHWARPZKPCOO-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573806476 949487646 /nfs/dbraw/zinc/48/76/46/949487646.db2.gz PCBHWARPZKPCOO-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573806507 949488152 /nfs/dbraw/zinc/48/81/52/949488152.db2.gz QURDHHBSSKHKSS-SNVBAGLBSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573806507 949488168 /nfs/dbraw/zinc/48/81/68/949488168.db2.gz QURDHHBSSKHKSS-SNVBAGLBSA-N -1 3 377.449 0.474 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CCCC1 ZINC001575537199 949490155 /nfs/dbraw/zinc/49/01/55/949490155.db2.gz SZSCKXUJKFUSMV-FZMZJTMJSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CCCC1 ZINC001575537199 949490168 /nfs/dbraw/zinc/49/01/68/949490168.db2.gz SZSCKXUJKFUSMV-FZMZJTMJSA-N -1 3 387.444 0.467 20 0 GCADHM CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001573806748 949491959 /nfs/dbraw/zinc/49/19/59/949491959.db2.gz UDCTXRWBFHDJKA-UHFFFAOYSA-N -1 3 381.400 0.966 20 0 GCADHM CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001573806748 949491968 /nfs/dbraw/zinc/49/19/68/949491968.db2.gz UDCTXRWBFHDJKA-UHFFFAOYSA-N -1 3 381.400 0.966 20 0 GCADHM C[C@]1(C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCCOC1 ZINC001575537239 949492608 /nfs/dbraw/zinc/49/26/08/949492608.db2.gz UIESMGJJVCNHIM-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCCOC1 ZINC001575537239 949492624 /nfs/dbraw/zinc/49/26/24/949492624.db2.gz UIESMGJJVCNHIM-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](NC(=O)CC1CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575267013 949496254 /nfs/dbraw/zinc/49/62/54/949496254.db2.gz GKRAWOPXLNMLTC-NSHDSACASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)CC1CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575267013 949496264 /nfs/dbraw/zinc/49/62/64/949496264.db2.gz GKRAWOPXLNMLTC-NSHDSACASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575267263 949498094 /nfs/dbraw/zinc/49/80/94/949498094.db2.gz HQHOROYBKYBDIM-VXGBXAGGSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575267263 949498110 /nfs/dbraw/zinc/49/81/10/949498110.db2.gz HQHOROYBKYBDIM-VXGBXAGGSA-N -1 3 387.444 0.467 20 0 GCADHM CC(C)(C)C(=O)NCc1nc(CNc2ccc(-c3nnn[n-]3)nn2)cc(=O)[nH]1 ZINC001573806918 949500356 /nfs/dbraw/zinc/50/03/56/949500356.db2.gz XSMGODOKMQJCLT-UHFFFAOYSA-N -1 3 384.404 0.427 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574470471 949504120 /nfs/dbraw/zinc/50/41/20/949504120.db2.gz BWBJNZZGIRWAPX-VHSXEESVSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574470471 949504137 /nfs/dbraw/zinc/50/41/37/949504137.db2.gz BWBJNZZGIRWAPX-VHSXEESVSA-N -1 3 378.412 0.712 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001574470440 949504192 /nfs/dbraw/zinc/50/41/92/949504192.db2.gz QYAODEPDXRSPNP-VIKVFOODSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001574470440 949504210 /nfs/dbraw/zinc/50/42/10/949504210.db2.gz QYAODEPDXRSPNP-VIKVFOODSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC1(O)CCC1 ZINC001573807965 949505146 /nfs/dbraw/zinc/50/51/46/949505146.db2.gz BDWXYLJUOJFNQI-CYBMUJFWSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1(O)CCC1 ZINC001573807965 949505153 /nfs/dbraw/zinc/50/51/53/949505153.db2.gz BDWXYLJUOJFNQI-CYBMUJFWSA-N -1 3 389.460 0.761 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575537906 949505834 /nfs/dbraw/zinc/50/58/34/949505834.db2.gz BRFFBHHOXUMXSR-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575537906 949505857 /nfs/dbraw/zinc/50/58/57/949505857.db2.gz BRFFBHHOXUMXSR-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574470726 949508028 /nfs/dbraw/zinc/50/80/28/949508028.db2.gz SYBAJPDTZJQIRS-GFCCVEGCSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574470726 949508047 /nfs/dbraw/zinc/50/80/47/949508047.db2.gz SYBAJPDTZJQIRS-GFCCVEGCSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574949753 949511828 /nfs/dbraw/zinc/51/18/28/949511828.db2.gz CLLFEWHUXRXZKP-OCCSQVGLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574949753 949511843 /nfs/dbraw/zinc/51/18/43/949511843.db2.gz CLLFEWHUXRXZKP-OCCSQVGLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808393 949512658 /nfs/dbraw/zinc/51/26/58/949512658.db2.gz FSQZLPXPDYTBBB-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808393 949512670 /nfs/dbraw/zinc/51/26/70/949512670.db2.gz FSQZLPXPDYTBBB-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574710902 949515254 /nfs/dbraw/zinc/51/52/54/949515254.db2.gz BTWLHBPSWAGGKZ-VHSXEESVSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574710902 949515273 /nfs/dbraw/zinc/51/52/73/949515273.db2.gz BTWLHBPSWAGGKZ-VHSXEESVSA-N -1 3 376.396 0.186 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001573808635 949517822 /nfs/dbraw/zinc/51/78/22/949517822.db2.gz HJEJEOCDVHIEKT-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001573808635 949517847 /nfs/dbraw/zinc/51/78/47/949517847.db2.gz HJEJEOCDVHIEKT-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573808633 949519109 /nfs/dbraw/zinc/51/91/09/949519109.db2.gz HJARCGBPSFKYSS-FNFWKMNBSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573808633 949519121 /nfs/dbraw/zinc/51/91/21/949519121.db2.gz HJARCGBPSFKYSS-FNFWKMNBSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949940 949519976 /nfs/dbraw/zinc/51/99/76/949519976.db2.gz HUXFFMFZXVOQOA-CABZTGNLSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949940 949519992 /nfs/dbraw/zinc/51/99/92/949519992.db2.gz HUXFFMFZXVOQOA-CABZTGNLSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574710971 949521666 /nfs/dbraw/zinc/52/16/66/949521666.db2.gz CTEPIUOBKLOXTD-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574710971 949521689 /nfs/dbraw/zinc/52/16/89/949521689.db2.gz CTEPIUOBKLOXTD-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574710949 949522381 /nfs/dbraw/zinc/52/23/81/949522381.db2.gz CMBXPTNHDAADBN-BXKDBHETSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574710949 949522400 /nfs/dbraw/zinc/52/24/00/949522400.db2.gz CMBXPTNHDAADBN-BXKDBHETSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574710970 949522737 /nfs/dbraw/zinc/52/27/37/949522737.db2.gz CTEPIUOBKLOXTD-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871917 949522858 /nfs/dbraw/zinc/52/28/58/949522858.db2.gz CXUWCDLIUUOAGF-ZYHUDNBSSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871917 949522876 /nfs/dbraw/zinc/52/28/76/949522876.db2.gz CXUWCDLIUUOAGF-ZYHUDNBSSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574710970 949522750 /nfs/dbraw/zinc/52/27/50/949522750.db2.gz CTEPIUOBKLOXTD-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574950020 949523957 /nfs/dbraw/zinc/52/39/57/949523957.db2.gz JWDGISQGSADQTJ-LLVKDONJSA-N -1 3 382.432 0.349 20 0 GCADHM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574950020 949523983 /nfs/dbraw/zinc/52/39/83/949523983.db2.gz JWDGISQGSADQTJ-LLVKDONJSA-N -1 3 382.432 0.349 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871915 949523892 /nfs/dbraw/zinc/52/38/92/949523892.db2.gz CXUWCDLIUUOAGF-JQWIXIFHSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871915 949523909 /nfs/dbraw/zinc/52/39/09/949523909.db2.gz CXUWCDLIUUOAGF-JQWIXIFHSA-N -1 3 375.433 0.465 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1CCOCC1 ZINC001573809005 949526825 /nfs/dbraw/zinc/52/68/25/949526825.db2.gz KQBWPIFRZAGBGR-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1CCOCC1 ZINC001573809005 949526839 /nfs/dbraw/zinc/52/68/39/949526839.db2.gz KQBWPIFRZAGBGR-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1CCOCC1 ZINC001573809004 949527488 /nfs/dbraw/zinc/52/74/88/949527488.db2.gz KQBWPIFRZAGBGR-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1CCOCC1 ZINC001573809004 949527500 /nfs/dbraw/zinc/52/75/00/949527500.db2.gz KQBWPIFRZAGBGR-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](NC(=O)CC1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575268720 949527385 /nfs/dbraw/zinc/52/73/85/949527385.db2.gz OJGUHSYZOBNMJI-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](NC(=O)CC1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575268720 949527399 /nfs/dbraw/zinc/52/73/99/949527399.db2.gz OJGUHSYZOBNMJI-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575268718 949528908 /nfs/dbraw/zinc/52/89/08/949528908.db2.gz OJGUHSYZOBNMJI-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575268718 949528920 /nfs/dbraw/zinc/52/89/20/949528920.db2.gz OJGUHSYZOBNMJI-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576163312 949529960 /nfs/dbraw/zinc/52/99/60/949529960.db2.gz AFBFKFIPVHYAFK-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576163312 949529969 /nfs/dbraw/zinc/52/99/69/949529969.db2.gz AFBFKFIPVHYAFK-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001573809209 949530694 /nfs/dbraw/zinc/53/06/94/949530694.db2.gz NCLRWXWGAMIBFW-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001573809209 949530701 /nfs/dbraw/zinc/53/07/01/949530701.db2.gz NCLRWXWGAMIBFW-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001573809207 949530843 /nfs/dbraw/zinc/53/08/43/949530843.db2.gz NCLRWXWGAMIBFW-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001573809207 949530859 /nfs/dbraw/zinc/53/08/59/949530859.db2.gz NCLRWXWGAMIBFW-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574471405 949532312 /nfs/dbraw/zinc/53/23/12/949532312.db2.gz MSIWEUMHXULRJN-DTWKUNHWSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574471405 949532326 /nfs/dbraw/zinc/53/23/26/949532326.db2.gz MSIWEUMHXULRJN-DTWKUNHWSA-N -1 3 379.400 0.107 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cccnn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809197 949532660 /nfs/dbraw/zinc/53/26/60/949532660.db2.gz MVLXATDKLAINDK-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cccnn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809197 949532667 /nfs/dbraw/zinc/53/26/67/949532667.db2.gz MVLXATDKLAINDK-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cccnn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809196 949533054 /nfs/dbraw/zinc/53/30/54/949533054.db2.gz MVLXATDKLAINDK-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cccnn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809196 949533081 /nfs/dbraw/zinc/53/30/81/949533081.db2.gz MVLXATDKLAINDK-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574471324 949533229 /nfs/dbraw/zinc/53/32/29/949533229.db2.gz MEYAJHAZJDGSHJ-LBPRGKRZSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574471324 949533246 /nfs/dbraw/zinc/53/32/46/949533246.db2.gz MEYAJHAZJDGSHJ-LBPRGKRZSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872095 949534340 /nfs/dbraw/zinc/53/43/40/949534340.db2.gz GGIZRIDSBFNJDK-PWSUYJOCSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872095 949534348 /nfs/dbraw/zinc/53/43/48/949534348.db2.gz GGIZRIDSBFNJDK-PWSUYJOCSA-N -1 3 375.433 0.465 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809249 949538732 /nfs/dbraw/zinc/53/87/32/949538732.db2.gz NVMHSYYTCSJRBS-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809249 949538753 /nfs/dbraw/zinc/53/87/53/949538753.db2.gz NVMHSYYTCSJRBS-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nnn[n-]4)nc3)C2)CCOC1 ZINC001575539077 949539403 /nfs/dbraw/zinc/53/94/03/949539403.db2.gz MGCRFAYFLVCUTI-ZWKOTPCHSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[n-]n4)nc3)C2)CCOC1 ZINC001575539077 949539414 /nfs/dbraw/zinc/53/94/14/949539414.db2.gz MGCRFAYFLVCUTI-ZWKOTPCHSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=COCCO2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872156 949540249 /nfs/dbraw/zinc/54/02/49/949540249.db2.gz GYKATSMVYKHVND-ZYHUDNBSSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=COCCO2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872156 949540265 /nfs/dbraw/zinc/54/02/65/949540265.db2.gz GYKATSMVYKHVND-ZYHUDNBSSA-N -1 3 387.400 0.192 20 0 GCADHM CC1(C(=O)N2CCC[C@H](N(CCO)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001575539308 949540648 /nfs/dbraw/zinc/54/06/48/949540648.db2.gz OIUZFPXGTKJHCL-LBPRGKRZSA-N -1 3 387.444 0.420 20 0 GCADHM CC1(C(=O)N2CCC[C@H](N(CCO)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001575539308 949540669 /nfs/dbraw/zinc/54/06/69/949540669.db2.gz OIUZFPXGTKJHCL-LBPRGKRZSA-N -1 3 387.444 0.420 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCC1CC1 ZINC001573809435 949542508 /nfs/dbraw/zinc/54/25/08/949542508.db2.gz PSKZNAGGSCKGRT-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCC1CC1 ZINC001573809435 949542523 /nfs/dbraw/zinc/54/25/23/949542523.db2.gz PSKZNAGGSCKGRT-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576163883 949542943 /nfs/dbraw/zinc/54/29/43/949542943.db2.gz DFTFHKLVVWGIJL-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576163883 949542965 /nfs/dbraw/zinc/54/29/65/949542965.db2.gz DFTFHKLVVWGIJL-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809452 949543327 /nfs/dbraw/zinc/54/33/27/949543327.db2.gz PXDLZHTXQNYBLC-UZGDPCLZSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809452 949543348 /nfs/dbraw/zinc/54/33/48/949543348.db2.gz PXDLZHTXQNYBLC-UZGDPCLZSA-N -1 3 387.444 0.348 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576163944 949543437 /nfs/dbraw/zinc/54/34/37/949543437.db2.gz DJNRVIWVOUVUEB-DGCLKSJQSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163944 949543457 /nfs/dbraw/zinc/54/34/57/949543457.db2.gz DJNRVIWVOUVUEB-DGCLKSJQSA-N -1 3 386.460 0.304 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](N(CCO)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001575539139 949543944 /nfs/dbraw/zinc/54/39/44/949543944.db2.gz NDLCHOGEVHSHDG-CYBMUJFWSA-N -1 3 387.444 0.420 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](N(CCO)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001575539139 949543964 /nfs/dbraw/zinc/54/39/64/949543964.db2.gz NDLCHOGEVHSHDG-CYBMUJFWSA-N -1 3 387.444 0.420 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1cnoc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809673 949551390 /nfs/dbraw/zinc/55/13/90/949551390.db2.gz SPEOKGDAVOWNKD-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1cnoc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809673 949551414 /nfs/dbraw/zinc/55/14/14/949551414.db2.gz SPEOKGDAVOWNKD-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809676 949552145 /nfs/dbraw/zinc/55/21/45/949552145.db2.gz SQBLIZHGSJSSIW-FNFWKMNBSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809676 949552167 /nfs/dbraw/zinc/55/21/67/949552167.db2.gz SQBLIZHGSJSSIW-FNFWKMNBSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001574472725 949555555 /nfs/dbraw/zinc/55/55/55/949555555.db2.gz VWDXINQBZOAXSZ-BXUZGUMPSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001574472725 949555566 /nfs/dbraw/zinc/55/55/66/949555566.db2.gz VWDXINQBZOAXSZ-BXUZGUMPSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1CCOCC1 ZINC001573809758 949556021 /nfs/dbraw/zinc/55/60/21/949556021.db2.gz VHOICOYPFNGWEJ-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1CCOCC1 ZINC001573809758 949556043 /nfs/dbraw/zinc/55/60/43/949556043.db2.gz VHOICOYPFNGWEJ-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC1(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(-c4nnn[n-]4)[nH]2)CCO3)CC1 ZINC001575539814 949557449 /nfs/dbraw/zinc/55/74/49/949557449.db2.gz UFUTUJZZZPDPID-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(-c4nn[n-]n4)[nH]2)CCO3)CC1 ZINC001575539814 949557464 /nfs/dbraw/zinc/55/74/64/949557464.db2.gz UFUTUJZZZPDPID-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574951319 949557979 /nfs/dbraw/zinc/55/79/79/949557979.db2.gz YTROUIMAYFCLQT-OCCSQVGLSA-N -1 3 386.460 0.602 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574951319 949557994 /nfs/dbraw/zinc/55/79/94/949557994.db2.gz YTROUIMAYFCLQT-OCCSQVGLSA-N -1 3 386.460 0.602 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCO1 ZINC001573809869 949558400 /nfs/dbraw/zinc/55/84/00/949558400.db2.gz VJBNOVXMLZDLBE-STQMWFEESA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCO1 ZINC001573809869 949558418 /nfs/dbraw/zinc/55/84/18/949558418.db2.gz VJBNOVXMLZDLBE-STQMWFEESA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1c[nH]cn1 ZINC001573809910 949558584 /nfs/dbraw/zinc/55/85/84/949558584.db2.gz WEIZHLMDYIPBTI-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001576164932 949559088 /nfs/dbraw/zinc/55/90/88/949559088.db2.gz INIKLEMEZWNFHY-BXKDBHETSA-N -1 3 376.396 0.315 20 0 GCADHM C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001576164932 949559104 /nfs/dbraw/zinc/55/91/04/949559104.db2.gz INIKLEMEZWNFHY-BXKDBHETSA-N -1 3 376.396 0.315 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575540137 949560484 /nfs/dbraw/zinc/56/04/84/949560484.db2.gz VFRPGUWMPNRXST-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575540137 949560494 /nfs/dbraw/zinc/56/04/94/949560494.db2.gz VFRPGUWMPNRXST-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574955721 949564851 /nfs/dbraw/zinc/56/48/51/949564851.db2.gz DMMVYKDINVGYQC-ABAIWWIYSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574955721 949564858 /nfs/dbraw/zinc/56/48/58/949564858.db2.gz DMMVYKDINVGYQC-ABAIWWIYSA-N -1 3 384.444 0.579 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573810116 949565844 /nfs/dbraw/zinc/56/58/44/949565844.db2.gz ZHGHHVWULFIDOV-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573810116 949565860 /nfs/dbraw/zinc/56/58/60/949565860.db2.gz ZHGHHVWULFIDOV-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1ccnc1 ZINC001573810076 949567671 /nfs/dbraw/zinc/56/76/71/949567671.db2.gz YPOTVXMQRUEVGD-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC1(C(=O)N2CCC[C@](CO)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC1 ZINC001575540309 949567591 /nfs/dbraw/zinc/56/75/91/949567591.db2.gz WWBWINYUHVCMCJ-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CCC[C@](CO)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC1 ZINC001575540309 949567607 /nfs/dbraw/zinc/56/76/07/949567607.db2.gz WWBWINYUHVCMCJ-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1ccnc1 ZINC001573810076 949567685 /nfs/dbraw/zinc/56/76/85/949567685.db2.gz YPOTVXMQRUEVGD-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@H](CC(=O)N(C)CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574475478 949568922 /nfs/dbraw/zinc/56/89/22/949568922.db2.gz ATLNEYBISWTFCH-GFCCVEGCSA-N -1 3 385.432 0.621 20 0 GCADHM C[C@H](CC(=O)N(C)CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574475478 949568935 /nfs/dbraw/zinc/56/89/35/949568935.db2.gz ATLNEYBISWTFCH-GFCCVEGCSA-N -1 3 385.432 0.621 20 0 GCADHM CC1(C(=O)N2CCC[C@@](CO)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC1 ZINC001575540307 949569797 /nfs/dbraw/zinc/56/97/97/949569797.db2.gz WWBWINYUHVCMCJ-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CCC[C@@](CO)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC1 ZINC001575540307 949569808 /nfs/dbraw/zinc/56/98/08/949569808.db2.gz WWBWINYUHVCMCJ-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575270187 949578226 /nfs/dbraw/zinc/57/82/26/949578226.db2.gz YJQGKTVNZKBZMK-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575270187 949578244 /nfs/dbraw/zinc/57/82/44/949578244.db2.gz YJQGKTVNZKBZMK-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001574475876 949579022 /nfs/dbraw/zinc/57/90/22/949579022.db2.gz CULUSIZZNDRJPP-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001574475876 949579032 /nfs/dbraw/zinc/57/90/32/949579032.db2.gz CULUSIZZNDRJPP-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575270263 949579463 /nfs/dbraw/zinc/57/94/63/949579463.db2.gz YZQWDCNNVLQCIO-NEPJUHHUSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575270263 949579478 /nfs/dbraw/zinc/57/94/78/949579478.db2.gz YZQWDCNNVLQCIO-NEPJUHHUSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576166513 949582942 /nfs/dbraw/zinc/58/29/42/949582942.db2.gz MQINVEMZIMEWDQ-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576166513 949582958 /nfs/dbraw/zinc/58/29/58/949582958.db2.gz MQINVEMZIMEWDQ-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574475998 949583657 /nfs/dbraw/zinc/58/36/57/949583657.db2.gz DYOXEPSJPPTVTA-JQWIXIFHSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574475998 949583696 /nfs/dbraw/zinc/58/36/96/949583696.db2.gz DYOXEPSJPPTVTA-JQWIXIFHSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573811012 949585213 /nfs/dbraw/zinc/58/52/13/949585213.db2.gz GQPLSRSTUHAGHN-QWHCGFSZSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573811012 949585233 /nfs/dbraw/zinc/58/52/33/949585233.db2.gz GQPLSRSTUHAGHN-QWHCGFSZSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574956662 949586892 /nfs/dbraw/zinc/58/68/92/949586892.db2.gz LJESXHDTLPSFRZ-MFKMUULPSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574956662 949586901 /nfs/dbraw/zinc/58/69/01/949586901.db2.gz LJESXHDTLPSFRZ-MFKMUULPSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575873776 949592819 /nfs/dbraw/zinc/59/28/19/949592819.db2.gz QBAUKNZVUWHUSC-TZMCWYRMSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575873776 949592837 /nfs/dbraw/zinc/59/28/37/949592837.db2.gz QBAUKNZVUWHUSC-TZMCWYRMSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575873998 949599484 /nfs/dbraw/zinc/59/94/84/949599484.db2.gz DGMVXRHPKNTIKV-JSGCOSHPSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575873998 949599498 /nfs/dbraw/zinc/59/94/98/949599498.db2.gz DGMVXRHPKNTIKV-JSGCOSHPSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576167007 949600086 /nfs/dbraw/zinc/60/00/86/949600086.db2.gz ODIIRVWBXRROHM-LBPRGKRZSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576167007 949600100 /nfs/dbraw/zinc/60/01/00/949600100.db2.gz ODIIRVWBXRROHM-LBPRGKRZSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574713278 949600616 /nfs/dbraw/zinc/60/06/16/949600616.db2.gz WYHXMCUCKHBMOY-GXTWGEPZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574713278 949600632 /nfs/dbraw/zinc/60/06/32/949600632.db2.gz WYHXMCUCKHBMOY-GXTWGEPZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](NC(=O)CC[C@@H]1CCCO1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575270724 949600854 /nfs/dbraw/zinc/60/08/54/949600854.db2.gz FSLLIIYXSXHFFU-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC[C@@H]1CCCO1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575270724 949600872 /nfs/dbraw/zinc/60/08/72/949600872.db2.gz FSLLIIYXSXHFFU-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574126905 949603391 /nfs/dbraw/zinc/60/33/91/949603391.db2.gz AMOFWTADAYXHTO-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574126905 949603412 /nfs/dbraw/zinc/60/34/12/949603412.db2.gz AMOFWTADAYXHTO-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574957321 949603577 /nfs/dbraw/zinc/60/35/77/949603577.db2.gz UZNSIGDQAIPPQM-HCKVZZMMSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574957321 949603595 /nfs/dbraw/zinc/60/35/95/949603595.db2.gz UZNSIGDQAIPPQM-HCKVZZMMSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574713542 949603754 /nfs/dbraw/zinc/60/37/54/949603754.db2.gz XZLOFOQUZOMMOE-SECBINFHSA-N -1 3 382.421 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574713542 949603772 /nfs/dbraw/zinc/60/37/72/949603772.db2.gz XZLOFOQUZOMMOE-SECBINFHSA-N -1 3 382.421 0.309 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCn1cnnn1 ZINC001573811752 949607821 /nfs/dbraw/zinc/60/78/21/949607821.db2.gz NGYULWCROQNFNP-LBPRGKRZSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCn1cnnn1 ZINC001573811752 949607837 /nfs/dbraw/zinc/60/78/37/949607837.db2.gz NGYULWCROQNFNP-LBPRGKRZSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574127292 949608362 /nfs/dbraw/zinc/60/83/62/949608362.db2.gz DZJLSXLWYDDHQL-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574127292 949608379 /nfs/dbraw/zinc/60/83/79/949608379.db2.gz DZJLSXLWYDDHQL-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575874268 949609227 /nfs/dbraw/zinc/60/92/27/949609227.db2.gz FNIPIPMWASZONG-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575874268 949609240 /nfs/dbraw/zinc/60/92/40/949609240.db2.gz FNIPIPMWASZONG-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574713711 949611459 /nfs/dbraw/zinc/61/14/59/949611459.db2.gz BKESRNVSCIKMHD-MWLCHTKSSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574713711 949611469 /nfs/dbraw/zinc/61/14/69/949611469.db2.gz BKESRNVSCIKMHD-MWLCHTKSSA-N -1 3 376.396 0.328 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573811991 949612333 /nfs/dbraw/zinc/61/23/33/949612333.db2.gz OZHAQYHODHIYLU-CHWSQXEVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573811991 949612349 /nfs/dbraw/zinc/61/23/49/949612349.db2.gz OZHAQYHODHIYLU-CHWSQXEVSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001574476653 949612514 /nfs/dbraw/zinc/61/25/14/949612514.db2.gz FTEHBYYQCFRGSQ-JTQLQIEISA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001574476653 949612531 /nfs/dbraw/zinc/61/25/31/949612531.db2.gz FTEHBYYQCFRGSQ-JTQLQIEISA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574476681 949615326 /nfs/dbraw/zinc/61/53/26/949615326.db2.gz GBYRUIDGXGGISV-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574476681 949615341 /nfs/dbraw/zinc/61/53/41/949615341.db2.gz GBYRUIDGXGGISV-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167884 949617103 /nfs/dbraw/zinc/61/71/03/949617103.db2.gz AAJRNSGLYHYUEZ-SMDDNHRTSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575271411 949618341 /nfs/dbraw/zinc/61/83/41/949618341.db2.gz KAWAXYNPNMGTGC-OCCSQVGLSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575271411 949618360 /nfs/dbraw/zinc/61/83/60/949618360.db2.gz KAWAXYNPNMGTGC-OCCSQVGLSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574476787 949619149 /nfs/dbraw/zinc/61/91/49/949619149.db2.gz KCQVORNPCBBECZ-RISCZKNCSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574476787 949619165 /nfs/dbraw/zinc/61/91/65/949619165.db2.gz KCQVORNPCBBECZ-RISCZKNCSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576167660 949619385 /nfs/dbraw/zinc/61/93/85/949619385.db2.gz DICYRGPMJJVZLQ-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576167660 949619399 /nfs/dbraw/zinc/61/93/99/949619399.db2.gz DICYRGPMJJVZLQ-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)[C@@H](CNCc1nncs1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573812813 949620763 /nfs/dbraw/zinc/62/07/63/949620763.db2.gz UURMXTGSLNUNSV-LLVKDONJSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)(C)[C@@H](CNCc1nncs1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573812813 949620778 /nfs/dbraw/zinc/62/07/78/949620778.db2.gz UURMXTGSLNUNSV-LLVKDONJSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575874825 949622543 /nfs/dbraw/zinc/62/25/43/949622543.db2.gz HESDQNIENAXULF-FZMZJTMJSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575874825 949622557 /nfs/dbraw/zinc/62/25/57/949622557.db2.gz HESDQNIENAXULF-FZMZJTMJSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574957642 949622641 /nfs/dbraw/zinc/62/26/41/949622641.db2.gz DGJAGKYUYQKLOW-QWRGUYRKSA-N -1 3 384.400 0.590 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574957642 949622656 /nfs/dbraw/zinc/62/26/56/949622656.db2.gz DGJAGKYUYQKLOW-QWRGUYRKSA-N -1 3 384.400 0.590 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575875246 949629211 /nfs/dbraw/zinc/62/92/11/949629211.db2.gz HQDVUYPKHLYVNC-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575875246 949629232 /nfs/dbraw/zinc/62/92/32/949629232.db2.gz HQDVUYPKHLYVNC-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574957707 949629505 /nfs/dbraw/zinc/62/95/05/949629505.db2.gz GMOITVVPFKHADT-PWNZVWSESA-N -1 3 387.444 0.254 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574957707 949629520 /nfs/dbraw/zinc/62/95/20/949629520.db2.gz GMOITVVPFKHADT-PWNZVWSESA-N -1 3 387.444 0.254 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575875239 949629661 /nfs/dbraw/zinc/62/96/61/949629661.db2.gz VQHPEAUNANPTRD-DGCLKSJQSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575875239 949629671 /nfs/dbraw/zinc/62/96/71/949629671.db2.gz VQHPEAUNANPTRD-DGCLKSJQSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575272066 949632091 /nfs/dbraw/zinc/63/20/91/949632091.db2.gz NBIUDDPTTSOVKY-SFYZADRCSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575272066 949632101 /nfs/dbraw/zinc/63/21/01/949632101.db2.gz NBIUDDPTTSOVKY-SFYZADRCSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](CC(=O)N(C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574477041 949634296 /nfs/dbraw/zinc/63/42/96/949634296.db2.gz NMVSDZWPUWMLMU-LLVKDONJSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N(C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574477041 949634311 /nfs/dbraw/zinc/63/43/11/949634311.db2.gz NMVSDZWPUWMLMU-LLVKDONJSA-N -1 3 387.448 0.136 20 0 GCADHM CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)CC1 ZINC001575547654 949634582 /nfs/dbraw/zinc/63/45/82/949634582.db2.gz AZYYSFSZOKTQCR-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)C2)CC1 ZINC001575547654 949634594 /nfs/dbraw/zinc/63/45/94/949634594.db2.gz AZYYSFSZOKTQCR-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576168445 949635916 /nfs/dbraw/zinc/63/59/16/949635916.db2.gz UNTQMTCSDIENEP-IUODEOHRSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576168445 949635937 /nfs/dbraw/zinc/63/59/37/949635937.db2.gz UNTQMTCSDIENEP-IUODEOHRSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715028 949637630 /nfs/dbraw/zinc/63/76/30/949637630.db2.gz AANOAWPPHLRTQV-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715028 949637643 /nfs/dbraw/zinc/63/76/43/949637643.db2.gz AANOAWPPHLRTQV-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576168516 949639372 /nfs/dbraw/zinc/63/93/72/949639372.db2.gz UZRVGTDQKMIKAF-IUODEOHRSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576168516 949639387 /nfs/dbraw/zinc/63/93/87/949639387.db2.gz UZRVGTDQKMIKAF-IUODEOHRSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CCC(C)(Nc2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574477212 949642328 /nfs/dbraw/zinc/64/23/28/949642328.db2.gz LZLHPEDZVDSDDS-NSHDSACASA-N -1 3 387.448 0.502 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1COCCO1 ZINC001573814720 949642202 /nfs/dbraw/zinc/64/22/02/949642202.db2.gz FGJTVMJAKJQPTH-KGLIPLIRSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1COCCO1 ZINC001573814720 949642215 /nfs/dbraw/zinc/64/22/15/949642215.db2.gz FGJTVMJAKJQPTH-KGLIPLIRSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@@H](CC(=O)N1CCC(C)(Nc2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574477212 949642339 /nfs/dbraw/zinc/64/23/39/949642339.db2.gz LZLHPEDZVDSDDS-NSHDSACASA-N -1 3 387.448 0.502 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574129762 949644565 /nfs/dbraw/zinc/64/45/65/949644565.db2.gz XGOYYZDXVQRNJN-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574129762 949644573 /nfs/dbraw/zinc/64/45/73/949644573.db2.gz XGOYYZDXVQRNJN-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575876310 949645357 /nfs/dbraw/zinc/64/53/57/949645357.db2.gz JTYABVWHVOKCEG-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575876310 949645369 /nfs/dbraw/zinc/64/53/69/949645369.db2.gz JTYABVWHVOKCEG-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574477237 949645508 /nfs/dbraw/zinc/64/55/08/949645508.db2.gz MJIUTOGYBGSDDR-XHDPSFHLSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574477237 949645514 /nfs/dbraw/zinc/64/55/14/949645514.db2.gz MJIUTOGYBGSDDR-XHDPSFHLSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)Cn1cnnn1 ZINC001573815151 949646964 /nfs/dbraw/zinc/64/69/64/949646964.db2.gz GTZBXSCBBYQRRG-LBPRGKRZSA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)(C)[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)Cn1cnnn1 ZINC001573815151 949646980 /nfs/dbraw/zinc/64/69/80/949646980.db2.gz GTZBXSCBBYQRRG-LBPRGKRZSA-N -1 3 388.411 0.635 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574958041 949647173 /nfs/dbraw/zinc/64/71/73/949647173.db2.gz DHYWMSFVZGBXHU-IJLUTSLNSA-N -1 3 382.432 0.135 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574477225 949647576 /nfs/dbraw/zinc/64/75/76/949647576.db2.gz MBSQUDWUQKUUHF-GTNSWQLSSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574477225 949647595 /nfs/dbraw/zinc/64/75/95/949647595.db2.gz MBSQUDWUQKUUHF-GTNSWQLSSA-N -1 3 387.448 0.359 20 0 GCADHM CC(C)(C)[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)Cn1cnnn1 ZINC001573815142 949648900 /nfs/dbraw/zinc/64/89/00/949648900.db2.gz GTZBXSCBBYQRRG-GFCCVEGCSA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)Cn1cnnn1 ZINC001573815142 949648910 /nfs/dbraw/zinc/64/89/10/949648910.db2.gz GTZBXSCBBYQRRG-GFCCVEGCSA-N -1 3 388.411 0.635 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574477382 949651056 /nfs/dbraw/zinc/65/10/56/949651056.db2.gz NPCSUABFDGDPFS-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574477382 949651068 /nfs/dbraw/zinc/65/10/68/949651068.db2.gz NPCSUABFDGDPFS-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958077 949651846 /nfs/dbraw/zinc/65/18/46/949651846.db2.gz FQRKJLORJVZUEP-KGYLQXTDSA-N -1 3 382.432 0.358 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958077 949651864 /nfs/dbraw/zinc/65/18/64/949651864.db2.gz FQRKJLORJVZUEP-KGYLQXTDSA-N -1 3 382.432 0.358 20 0 GCADHM CC1(C(=O)N2CCOC3(CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)CCC1 ZINC001575548080 949655613 /nfs/dbraw/zinc/65/56/13/949655613.db2.gz OZMFEHBPONZSCY-UHFFFAOYSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CCOC3(CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)C2)CCC1 ZINC001575548080 949655629 /nfs/dbraw/zinc/65/56/29/949655629.db2.gz OZMFEHBPONZSCY-UHFFFAOYSA-N -1 3 385.428 0.438 20 0 GCADHM CC(C)(C)[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001573815777 949657508 /nfs/dbraw/zinc/65/75/08/949657508.db2.gz KBSAURMOJYAYDD-VXGBXAGGSA-N -1 3 390.423 0.630 20 0 GCADHM CC(C)(C)[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001573815777 949657526 /nfs/dbraw/zinc/65/75/26/949657526.db2.gz KBSAURMOJYAYDD-VXGBXAGGSA-N -1 3 390.423 0.630 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575877223 949657779 /nfs/dbraw/zinc/65/77/79/949657779.db2.gz LCKRGWCPSWGZKU-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575877223 949657797 /nfs/dbraw/zinc/65/77/97/949657797.db2.gz LCKRGWCPSWGZKU-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574958184 949658125 /nfs/dbraw/zinc/65/81/25/949658125.db2.gz NEUZOYZVQFKJAF-MVVXRAEJSA-N -1 3 377.836 0.972 20 0 GCADHM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574958184 949658137 /nfs/dbraw/zinc/65/81/37/949658137.db2.gz NEUZOYZVQFKJAF-MVVXRAEJSA-N -1 3 377.836 0.972 20 0 GCADHM C[C@H](CN(C)C(=O)CCC1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715692 949659204 /nfs/dbraw/zinc/65/92/04/949659204.db2.gz FBTCRXLLNBAHSF-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)CCC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715692 949659223 /nfs/dbraw/zinc/65/92/23/949659223.db2.gz FBTCRXLLNBAHSF-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575548190 949660019 /nfs/dbraw/zinc/66/00/19/949660019.db2.gz TUNZUKVJCJXVDG-UGSOOPFHSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575548190 949660031 /nfs/dbraw/zinc/66/00/31/949660031.db2.gz TUNZUKVJCJXVDG-UGSOOPFHSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@H](CN(C)C(=O)CCC1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715693 949661466 /nfs/dbraw/zinc/66/14/66/949661466.db2.gz FBTCRXLLNBAHSF-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)CCC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715693 949661485 /nfs/dbraw/zinc/66/14/85/949661485.db2.gz FBTCRXLLNBAHSF-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CCCC2)[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576169109 949661841 /nfs/dbraw/zinc/66/18/41/949661841.db2.gz FEOLPZSGDBBEDT-KGLIPLIRSA-N -1 3 385.476 0.213 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001574477580 949667270 /nfs/dbraw/zinc/66/72/70/949667270.db2.gz SJIFYFONHCWRHG-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001574477580 949667283 /nfs/dbraw/zinc/66/72/83/949667283.db2.gz SJIFYFONHCWRHG-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)c1cnon1 ZINC001576169149 949667681 /nfs/dbraw/zinc/66/76/81/949667681.db2.gz FPDWOMSVSBAZQU-ZANVPECISA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1cnon1 ZINC001576169149 949667691 /nfs/dbraw/zinc/66/76/91/949667691.db2.gz FPDWOMSVSBAZQU-ZANVPECISA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575273633 949668381 /nfs/dbraw/zinc/66/83/81/949668381.db2.gz XPNVDWMRXATPDW-IUCAKERBSA-N -1 3 380.840 0.876 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575273633 949668395 /nfs/dbraw/zinc/66/83/95/949668395.db2.gz XPNVDWMRXATPDW-IUCAKERBSA-N -1 3 380.840 0.876 20 0 GCADHM CC1(C(=O)N2CCN(CCNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCC1 ZINC001575548303 949668796 /nfs/dbraw/zinc/66/87/96/949668796.db2.gz ZLXYVWFSXKMQJQ-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM CC1(C(=O)N2CCN(CCNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCC1 ZINC001575548303 949668809 /nfs/dbraw/zinc/66/88/09/949668809.db2.gz ZLXYVWFSXKMQJQ-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574958441 949669792 /nfs/dbraw/zinc/66/97/92/949669792.db2.gz JSCGSIQVUPWMNH-BYCMXARLSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574958441 949669806 /nfs/dbraw/zinc/66/98/06/949669806.db2.gz JSCGSIQVUPWMNH-BYCMXARLSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575273581 949669948 /nfs/dbraw/zinc/66/99/48/949669948.db2.gz WXXSIWNJWRTANP-LLVKDONJSA-N -1 3 389.435 0.598 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574477624 949670491 /nfs/dbraw/zinc/67/04/91/949670491.db2.gz SPHOWJVURFCEFR-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574477624 949670505 /nfs/dbraw/zinc/67/05/05/949670505.db2.gz SPHOWJVURFCEFR-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)n1ccnc1 ZINC001574477652 949671420 /nfs/dbraw/zinc/67/14/20/949671420.db2.gz PWRYTMUIQUBYEG-ZDUSSCGKSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)n1ccnc1 ZINC001574477652 949671436 /nfs/dbraw/zinc/67/14/36/949671436.db2.gz PWRYTMUIQUBYEG-ZDUSSCGKSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574477769 949674257 /nfs/dbraw/zinc/67/42/57/949674257.db2.gz RGRXFLCRGMFGAG-CYBMUJFWSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574477769 949674268 /nfs/dbraw/zinc/67/42/68/949674268.db2.gz RGRXFLCRGMFGAG-CYBMUJFWSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574715987 949674349 /nfs/dbraw/zinc/67/43/49/949674349.db2.gz GVOWIOWQBNHJMO-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574715987 949674362 /nfs/dbraw/zinc/67/43/62/949674362.db2.gz GVOWIOWQBNHJMO-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574132041 949674477 /nfs/dbraw/zinc/67/44/77/949674477.db2.gz PJUMDAMZRTYPAT-JSGCOSHPSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574132041 949674491 /nfs/dbraw/zinc/67/44/91/949674491.db2.gz PJUMDAMZRTYPAT-JSGCOSHPSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574132171 949678489 /nfs/dbraw/zinc/67/84/89/949678489.db2.gz RTJDJQFOXZOPNU-KPZWWZAWSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574132171 949678506 /nfs/dbraw/zinc/67/85/06/949678506.db2.gz RTJDJQFOXZOPNU-KPZWWZAWSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575274099 949679036 /nfs/dbraw/zinc/67/90/36/949679036.db2.gz YPRRKHJKFBBKCS-MFKMUULPSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575274099 949679057 /nfs/dbraw/zinc/67/90/57/949679057.db2.gz YPRRKHJKFBBKCS-MFKMUULPSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575878761 949679438 /nfs/dbraw/zinc/67/94/38/949679438.db2.gz OXTMOGRYISQPBO-BXUZGUMPSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575878761 949679454 /nfs/dbraw/zinc/67/94/54/949679454.db2.gz OXTMOGRYISQPBO-BXUZGUMPSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574958556 949681932 /nfs/dbraw/zinc/68/19/32/949681932.db2.gz SMCBFVITOODVPP-JUFZMCDQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574958556 949681947 /nfs/dbraw/zinc/68/19/47/949681947.db2.gz SMCBFVITOODVPP-JUFZMCDQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574716287 949684335 /nfs/dbraw/zinc/68/43/35/949684335.db2.gz IKRNKIMUYLBUKR-UWVGGRQHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574716287 949684358 /nfs/dbraw/zinc/68/43/58/949684358.db2.gz IKRNKIMUYLBUKR-UWVGGRQHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575879346 949684846 /nfs/dbraw/zinc/68/48/46/949684846.db2.gz QIGLKXCDUAEVNW-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575879346 949684864 /nfs/dbraw/zinc/68/48/64/949684864.db2.gz QIGLKXCDUAEVNW-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574958669 949685473 /nfs/dbraw/zinc/68/54/73/949685473.db2.gz VBKRPYPQALLDIS-NXKACYDGSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574958669 949685485 /nfs/dbraw/zinc/68/54/85/949685485.db2.gz VBKRPYPQALLDIS-NXKACYDGSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NC(N)=O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574958652 949686516 /nfs/dbraw/zinc/68/65/16/949686516.db2.gz VAUCEWZPGRLEPQ-YUMQZZPRSA-N -1 3 381.828 0.136 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NC(N)=O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574958652 949686529 /nfs/dbraw/zinc/68/65/29/949686529.db2.gz VAUCEWZPGRLEPQ-YUMQZZPRSA-N -1 3 381.828 0.136 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001574477948 949687374 /nfs/dbraw/zinc/68/73/74/949687374.db2.gz SZKSCTZEDVSHLK-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001574477948 949687387 /nfs/dbraw/zinc/68/73/87/949687387.db2.gz SZKSCTZEDVSHLK-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001574477985 949688089 /nfs/dbraw/zinc/68/80/89/949688089.db2.gz WRMXMPXJJLTTCM-IUODEOHRSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001574477985 949688110 /nfs/dbraw/zinc/68/81/10/949688110.db2.gz WRMXMPXJJLTTCM-IUODEOHRSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)NC(N)=O ZINC001574478021 949689231 /nfs/dbraw/zinc/68/92/31/949689231.db2.gz WVMLDUMMJCCFHS-SNVBAGLBSA-N -1 3 390.423 0.095 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)NC(N)=O ZINC001574478021 949689251 /nfs/dbraw/zinc/68/92/51/949689251.db2.gz WVMLDUMMJCCFHS-SNVBAGLBSA-N -1 3 390.423 0.095 20 0 GCADHM C[C@@H](NC(=O)CCc1ccn(C)n1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575274608 949689566 /nfs/dbraw/zinc/68/95/66/949689566.db2.gz AQKWWDMRSFPWKI-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1ccn(C)n1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575274608 949689579 /nfs/dbraw/zinc/68/95/79/949689579.db2.gz AQKWWDMRSFPWKI-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576169762 949692893 /nfs/dbraw/zinc/69/28/93/949692893.db2.gz HZTFMLNGSSYJTD-WFASDCNBSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576169762 949692904 /nfs/dbraw/zinc/69/29/04/949692904.db2.gz HZTFMLNGSSYJTD-WFASDCNBSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@]1(C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575553747 949692899 /nfs/dbraw/zinc/69/28/99/949692899.db2.gz PMZXYCBHWVTORT-AWEZNQCLSA-N -1 3 382.471 0.362 20 0 GCADHM C[C@@]1(C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575553747 949692910 /nfs/dbraw/zinc/69/29/10/949692910.db2.gz PMZXYCBHWVTORT-AWEZNQCLSA-N -1 3 382.471 0.362 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576169842 949693541 /nfs/dbraw/zinc/69/35/41/949693541.db2.gz JWBCZHATXWAPMO-AAEUAGOBSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576169842 949693556 /nfs/dbraw/zinc/69/35/56/949693556.db2.gz JWBCZHATXWAPMO-AAEUAGOBSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576169760 949694007 /nfs/dbraw/zinc/69/40/07/949694007.db2.gz HZTFMLNGSSYJTD-SWLSCSKDSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576169760 949694032 /nfs/dbraw/zinc/69/40/32/949694032.db2.gz HZTFMLNGSSYJTD-SWLSCSKDSA-N -1 3 382.432 0.592 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574132425 949696850 /nfs/dbraw/zinc/69/68/50/949696850.db2.gz ZNGDOMYTMRNRQQ-GDLCADMTSA-N -1 3 375.433 0.179 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574132425 949696865 /nfs/dbraw/zinc/69/68/65/949696865.db2.gz ZNGDOMYTMRNRQQ-GDLCADMTSA-N -1 3 375.433 0.179 20 0 GCADHM CC(C)(C)[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)Cn1ncnn1 ZINC001573817257 949697428 /nfs/dbraw/zinc/69/74/28/949697428.db2.gz ZBBHAYYPDCONRX-GFCCVEGCSA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)Cn1ncnn1 ZINC001573817257 949697441 /nfs/dbraw/zinc/69/74/41/949697441.db2.gz ZBBHAYYPDCONRX-GFCCVEGCSA-N -1 3 388.411 0.635 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575880253 949699366 /nfs/dbraw/zinc/69/93/66/949699366.db2.gz SWVGLOJLAGKYNX-TZMCWYRMSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575880253 949699409 /nfs/dbraw/zinc/69/94/09/949699409.db2.gz SWVGLOJLAGKYNX-TZMCWYRMSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]3C2)CCCOC1 ZINC001575554402 949699232 /nfs/dbraw/zinc/69/92/32/949699232.db2.gz SFXLGUTWBJHBSJ-BIENJYKASA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]3C2)CCCOC1 ZINC001575554402 949699250 /nfs/dbraw/zinc/69/92/50/949699250.db2.gz SFXLGUTWBJHBSJ-BIENJYKASA-N -1 3 383.456 0.973 20 0 GCADHM C[C@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575275470 949699599 /nfs/dbraw/zinc/69/95/99/949699599.db2.gz DEYCHBZYEBTJLE-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575275470 949699620 /nfs/dbraw/zinc/69/96/20/949699620.db2.gz DEYCHBZYEBTJLE-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM CC1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CCCCC1 ZINC001575555292 949700586 /nfs/dbraw/zinc/70/05/86/949700586.db2.gz YURULGKNUKVTRN-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CCCCC1 ZINC001575555292 949700597 /nfs/dbraw/zinc/70/05/97/949700597.db2.gz YURULGKNUKVTRN-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](NC(=O)CCS(C)(=O)=O)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575275914 949704446 /nfs/dbraw/zinc/70/44/46/949704446.db2.gz FUHKLOYIUFSMBK-UWVGGRQHSA-N -1 3 384.437 0.746 20 0 GCADHM C[C@H](NC(=O)CCS(C)(=O)=O)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575275914 949704467 /nfs/dbraw/zinc/70/44/67/949704467.db2.gz FUHKLOYIUFSMBK-UWVGGRQHSA-N -1 3 384.437 0.746 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)c1cnco1 ZINC001576170074 949704807 /nfs/dbraw/zinc/70/48/07/949704807.db2.gz JFVXCEWOHDQYCI-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1cnco1 ZINC001576170074 949704826 /nfs/dbraw/zinc/70/48/26/949704826.db2.gz JFVXCEWOHDQYCI-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575275866 949707251 /nfs/dbraw/zinc/70/72/51/949707251.db2.gz FMNOVZQDFKJFDI-GFCCVEGCSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575275866 949707266 /nfs/dbraw/zinc/70/72/66/949707266.db2.gz FMNOVZQDFKJFDI-GFCCVEGCSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574959390 949708737 /nfs/dbraw/zinc/70/87/37/949708737.db2.gz QWTUWGCPIVBYBZ-WCFLWFBJSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1ccon1 ZINC001576170186 949708953 /nfs/dbraw/zinc/70/89/53/949708953.db2.gz JLZARPNYQYHSJQ-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1ccon1 ZINC001576170186 949708969 /nfs/dbraw/zinc/70/89/69/949708969.db2.gz JLZARPNYQYHSJQ-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574959390 949708752 /nfs/dbraw/zinc/70/87/52/949708752.db2.gz QWTUWGCPIVBYBZ-WCFLWFBJSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880963 949711414 /nfs/dbraw/zinc/71/14/14/949711414.db2.gz WIFZBNQFUSWQGD-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880963 949711425 /nfs/dbraw/zinc/71/14/25/949711425.db2.gz WIFZBNQFUSWQGD-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCO1 ZINC001574478570 949711518 /nfs/dbraw/zinc/71/15/18/949711518.db2.gz YZYYYCVHFYIMFS-CZUORRHYSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCO1 ZINC001574478570 949711533 /nfs/dbraw/zinc/71/15/33/949711533.db2.gz YZYYYCVHFYIMFS-CZUORRHYSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170293 949712150 /nfs/dbraw/zinc/71/21/50/949712150.db2.gz JXWDKGZGYDVTFK-RISCZKNCSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170293 949712164 /nfs/dbraw/zinc/71/21/64/949712164.db2.gz JXWDKGZGYDVTFK-RISCZKNCSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276138 949712424 /nfs/dbraw/zinc/71/24/24/949712424.db2.gz GVRQCMSLMAZYCX-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276138 949712446 /nfs/dbraw/zinc/71/24/46/949712446.db2.gz GVRQCMSLMAZYCX-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170287 949713349 /nfs/dbraw/zinc/71/33/49/949713349.db2.gz JXWDKGZGYDVTFK-BXUZGUMPSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170287 949713366 /nfs/dbraw/zinc/71/33/66/949713366.db2.gz JXWDKGZGYDVTFK-BXUZGUMPSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001574478615 949713482 /nfs/dbraw/zinc/71/34/82/949713482.db2.gz ZOPJHJNXGPPRLU-JTQLQIEISA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001574478615 949713499 /nfs/dbraw/zinc/71/34/99/949713499.db2.gz ZOPJHJNXGPPRLU-JTQLQIEISA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574478577 949714072 /nfs/dbraw/zinc/71/40/72/949714072.db2.gz ZCFZXDWHHLYCEG-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574478577 949714099 /nfs/dbraw/zinc/71/40/99/949714099.db2.gz ZCFZXDWHHLYCEG-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576170360 949717030 /nfs/dbraw/zinc/71/70/30/949717030.db2.gz KQBFKYIHWKOFAV-JSGCOSHPSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576170360 949717046 /nfs/dbraw/zinc/71/70/46/949717046.db2.gz KQBFKYIHWKOFAV-JSGCOSHPSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@H](CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574478781 949717524 /nfs/dbraw/zinc/71/75/24/949717524.db2.gz APXHVNKDTYGCHX-LLVKDONJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574478781 949717533 /nfs/dbraw/zinc/71/75/33/949717533.db2.gz APXHVNKDTYGCHX-LLVKDONJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881339 949720111 /nfs/dbraw/zinc/72/01/11/949720111.db2.gz XPYQRDVXPMVPTE-STQMWFEESA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881339 949720133 /nfs/dbraw/zinc/72/01/33/949720133.db2.gz XPYQRDVXPMVPTE-STQMWFEESA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001574478652 949721065 /nfs/dbraw/zinc/72/10/65/949721065.db2.gz ZZZDAJGKVKAKKN-ZFWWWQNUSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001574478652 949721078 /nfs/dbraw/zinc/72/10/78/949721078.db2.gz ZZZDAJGKVKAKKN-ZFWWWQNUSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170516 949722127 /nfs/dbraw/zinc/72/21/27/949722127.db2.gz LVGGBXBJLFIOHC-BXUZGUMPSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170516 949722148 /nfs/dbraw/zinc/72/21/48/949722148.db2.gz LVGGBXBJLFIOHC-BXUZGUMPSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575881524 949722993 /nfs/dbraw/zinc/72/29/93/949722993.db2.gz YULILBKQXSZKNQ-WPRPVWTQSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575881524 949723009 /nfs/dbraw/zinc/72/30/09/949723009.db2.gz YULILBKQXSZKNQ-WPRPVWTQSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574717087 949723262 /nfs/dbraw/zinc/72/32/62/949723262.db2.gz UFEIHHPWFUQOEC-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574717087 949723280 /nfs/dbraw/zinc/72/32/80/949723280.db2.gz UFEIHHPWFUQOEC-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575881543 949725067 /nfs/dbraw/zinc/72/50/67/949725067.db2.gz YXIZXIUIHXYVKC-JSGCOSHPSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575881543 949725081 /nfs/dbraw/zinc/72/50/81/949725081.db2.gz YXIZXIUIHXYVKC-JSGCOSHPSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCC[C@@H](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576170524 949725423 /nfs/dbraw/zinc/72/54/23/949725423.db2.gz LZGHMFWRCWLAPR-CHWSQXEVSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCC[C@@H](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576170524 949725443 /nfs/dbraw/zinc/72/54/43/949725443.db2.gz LZGHMFWRCWLAPR-CHWSQXEVSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2ccon2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881699 949726725 /nfs/dbraw/zinc/72/67/25/949726725.db2.gz ZSKIAOXAOYMZHD-PWSUYJOCSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2ccon2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881699 949726734 /nfs/dbraw/zinc/72/67/34/949726734.db2.gz ZSKIAOXAOYMZHD-PWSUYJOCSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1cnon1 ZINC001576170646 949727205 /nfs/dbraw/zinc/72/72/05/949727205.db2.gz MHOXCDYUMWFFMS-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1cnon1 ZINC001576170646 949727220 /nfs/dbraw/zinc/72/72/20/949727220.db2.gz MHOXCDYUMWFFMS-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1cncs1 ZINC001575276715 949727870 /nfs/dbraw/zinc/72/78/70/949727870.db2.gz KPBARYAQIQKKDW-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1cncs1 ZINC001575276715 949727878 /nfs/dbraw/zinc/72/78/78/949727878.db2.gz KPBARYAQIQKKDW-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)c1cocn1 ZINC001576170649 949729061 /nfs/dbraw/zinc/72/90/61/949729061.db2.gz MIHQRZQJFZJMIQ-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1cocn1 ZINC001576170649 949729075 /nfs/dbraw/zinc/72/90/75/949729075.db2.gz MIHQRZQJFZJMIQ-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)CCc1ccoc1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575276804 949730916 /nfs/dbraw/zinc/73/09/16/949730916.db2.gz LXPFBPZBEAQIOA-LLVKDONJSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](NC(=O)CCc1ccoc1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575276804 949730926 /nfs/dbraw/zinc/73/09/26/949730926.db2.gz LXPFBPZBEAQIOA-LLVKDONJSA-N -1 3 383.412 0.997 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001575881768 949733571 /nfs/dbraw/zinc/73/35/71/949733571.db2.gz AQQKIMLEUOXSBN-GXTWGEPZSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881743 949733809 /nfs/dbraw/zinc/73/38/09/949733809.db2.gz AGHSOXZNVWFSID-YGRLFVJLSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881743 949733815 /nfs/dbraw/zinc/73/38/15/949733815.db2.gz AGHSOXZNVWFSID-YGRLFVJLSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574962495 949734423 /nfs/dbraw/zinc/73/44/23/949734423.db2.gz AUXXYBXFTUDZJF-JOYOIKCWSA-N -1 3 392.851 0.477 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574962495 949734435 /nfs/dbraw/zinc/73/44/35/949734435.db2.gz AUXXYBXFTUDZJF-JOYOIKCWSA-N -1 3 392.851 0.477 20 0 GCADHM C[C@]1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)CCOC1 ZINC001575558102 949735008 /nfs/dbraw/zinc/73/50/08/949735008.db2.gz OOHCBFTYABDFAG-QDTBLXIISA-N -1 3 385.428 0.483 20 0 GCADHM C[C@]1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)CCOC1 ZINC001575558102 949735028 /nfs/dbraw/zinc/73/50/28/949735028.db2.gz OOHCBFTYABDFAG-QDTBLXIISA-N -1 3 385.428 0.483 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001575558384 949736696 /nfs/dbraw/zinc/73/66/96/949736696.db2.gz OZLLGHAZUDKNCE-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001575558384 949736706 /nfs/dbraw/zinc/73/67/06/949736706.db2.gz OZLLGHAZUDKNCE-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](NC(=O)CCc1cnccn1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276900 949737911 /nfs/dbraw/zinc/73/79/11/949737911.db2.gz MUBVWMQXCSMCSF-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1cnccn1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276900 949737929 /nfs/dbraw/zinc/73/79/29/949737929.db2.gz MUBVWMQXCSMCSF-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)CCOC1 ZINC001575558506 949741682 /nfs/dbraw/zinc/74/16/82/949741682.db2.gz QHDYFVXLAVTBQG-OMPKRAJASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)CCOC1 ZINC001575558506 949741693 /nfs/dbraw/zinc/74/16/93/949741693.db2.gz QHDYFVXLAVTBQG-OMPKRAJASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574717730 949742448 /nfs/dbraw/zinc/74/24/48/949742448.db2.gz WUVXBSGTZQDWPW-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574717730 949742466 /nfs/dbraw/zinc/74/24/66/949742466.db2.gz WUVXBSGTZQDWPW-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881905 949744588 /nfs/dbraw/zinc/74/45/88/949744588.db2.gz CXLKLHVSGHETFZ-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881905 949744601 /nfs/dbraw/zinc/74/46/01/949744601.db2.gz CXLKLHVSGHETFZ-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277298 949745686 /nfs/dbraw/zinc/74/56/86/949745686.db2.gz PUGIZKMIECVGPS-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277298 949745702 /nfs/dbraw/zinc/74/57/02/949745702.db2.gz PUGIZKMIECVGPS-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCNC(=O)C1 ZINC001575559039 949745975 /nfs/dbraw/zinc/74/59/75/949745975.db2.gz TVAOYKVUAPMFLJ-RDTXWAMCSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCNC(=O)C1 ZINC001575559039 949745996 /nfs/dbraw/zinc/74/59/96/949745996.db2.gz TVAOYKVUAPMFLJ-RDTXWAMCSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574480189 949746965 /nfs/dbraw/zinc/74/69/65/949746965.db2.gz HJVPYWZDDQIAGW-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574480189 949746979 /nfs/dbraw/zinc/74/69/79/949746979.db2.gz HJVPYWZDDQIAGW-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574717840 949746995 /nfs/dbraw/zinc/74/69/95/949746995.db2.gz QSLHDNXSNWFFQK-GHMZBOCLSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574717840 949747006 /nfs/dbraw/zinc/74/70/06/949747006.db2.gz QSLHDNXSNWFFQK-GHMZBOCLSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574717843 949748195 /nfs/dbraw/zinc/74/81/95/949748195.db2.gz QSLHDNXSNWFFQK-WDEREUQCSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574717843 949748216 /nfs/dbraw/zinc/74/82/16/949748216.db2.gz QSLHDNXSNWFFQK-WDEREUQCSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@]1(C(=O)NC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCCC2)CCOC1 ZINC001575559197 949750087 /nfs/dbraw/zinc/75/00/87/949750087.db2.gz AATDJNBVIQZQSN-QGZVFWFLSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@]1(C(=O)NC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCCC2)CCOC1 ZINC001575559197 949750099 /nfs/dbraw/zinc/75/00/99/949750099.db2.gz AATDJNBVIQZQSN-QGZVFWFLSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575882076 949751048 /nfs/dbraw/zinc/75/10/48/949751048.db2.gz GAPDYAPAEYFGSY-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575882076 949751061 /nfs/dbraw/zinc/75/10/61/949751061.db2.gz GAPDYAPAEYFGSY-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1ccnc1 ZINC001574480924 949756098 /nfs/dbraw/zinc/75/60/98/949756098.db2.gz LLXYOSBPPCPUJB-LBPRGKRZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1ccnc1 ZINC001574480924 949756111 /nfs/dbraw/zinc/75/61/11/949756111.db2.gz LLXYOSBPPCPUJB-LBPRGKRZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574480870 949756679 /nfs/dbraw/zinc/75/66/79/949756679.db2.gz KUYUGOILGUZAJM-NXEZZACHSA-N -1 3 376.396 0.466 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574480870 949756692 /nfs/dbraw/zinc/75/66/92/949756692.db2.gz KUYUGOILGUZAJM-NXEZZACHSA-N -1 3 376.396 0.466 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H](C)n1cccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574717999 949756858 /nfs/dbraw/zinc/75/68/58/949756858.db2.gz YEDZQCCYQLJTHP-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H](C)n1cccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574717999 949756876 /nfs/dbraw/zinc/75/68/76/949756876.db2.gz YEDZQCCYQLJTHP-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)n1ccnc1 ZINC001574480923 949756865 /nfs/dbraw/zinc/75/68/65/949756865.db2.gz LLXYOSBPPCPUJB-GFCCVEGCSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)n1ccnc1 ZINC001574480923 949756880 /nfs/dbraw/zinc/75/68/80/949756880.db2.gz LLXYOSBPPCPUJB-GFCCVEGCSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccn(C)c1 ZINC001575882147 949757186 /nfs/dbraw/zinc/75/71/86/949757186.db2.gz GZKZABPBIOVINM-SMDDNHRTSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccn(C)c1 ZINC001575882147 949757201 /nfs/dbraw/zinc/75/72/01/949757201.db2.gz GZKZABPBIOVINM-SMDDNHRTSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnccn1 ZINC001575882192 949758815 /nfs/dbraw/zinc/75/88/15/949758815.db2.gz HRCYZECJQUWJJC-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnccn1 ZINC001575882192 949758826 /nfs/dbraw/zinc/75/88/26/949758826.db2.gz HRCYZECJQUWJJC-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574137550 949764647 /nfs/dbraw/zinc/76/46/47/949764647.db2.gz VQERWKGCHGLLTJ-STQMWFEESA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574137550 949764670 /nfs/dbraw/zinc/76/46/70/949764670.db2.gz VQERWKGCHGLLTJ-STQMWFEESA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574964056 949765263 /nfs/dbraw/zinc/76/52/63/949765263.db2.gz PBCDLDAJRJELTQ-JOYOIKCWSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574964056 949765275 /nfs/dbraw/zinc/76/52/75/949765275.db2.gz PBCDLDAJRJELTQ-JOYOIKCWSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575882318 949765729 /nfs/dbraw/zinc/76/57/29/949765729.db2.gz IQWDVJRMGINUAI-OHJULZJPSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882318 949765738 /nfs/dbraw/zinc/76/57/38/949765738.db2.gz IQWDVJRMGINUAI-OHJULZJPSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](NC(=O)CCc1cccnc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575278192 949765767 /nfs/dbraw/zinc/76/57/67/949765767.db2.gz UFVXOUVEIAXEFS-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1cccnc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575278192 949765781 /nfs/dbraw/zinc/76/57/81/949765781.db2.gz UFVXOUVEIAXEFS-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575278762 949767916 /nfs/dbraw/zinc/76/79/16/949767916.db2.gz VJMRMSMGXSPUFR-JTQLQIEISA-N -1 3 383.416 0.127 20 0 GCADHM C[C@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575278762 949767928 /nfs/dbraw/zinc/76/79/28/949767928.db2.gz VJMRMSMGXSPUFR-JTQLQIEISA-N -1 3 383.416 0.127 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574718250 949771251 /nfs/dbraw/zinc/77/12/51/949771251.db2.gz ZPWFZFWNZBAXAS-KOLCDFICSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574718250 949771268 /nfs/dbraw/zinc/77/12/68/949771268.db2.gz ZPWFZFWNZBAXAS-KOLCDFICSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCOC1 ZINC001575559957 949771384 /nfs/dbraw/zinc/77/13/84/949771384.db2.gz ZTVMTLONFFYUKJ-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCOC1 ZINC001575559957 949771400 /nfs/dbraw/zinc/77/14/00/949771400.db2.gz ZTVMTLONFFYUKJ-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)C[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574137828 949773741 /nfs/dbraw/zinc/77/37/41/949773741.db2.gz YAHPTSJOORDERD-NWDGAFQWSA-N -1 3 377.449 0.426 20 0 GCADHM CC(C)C[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574137828 949773757 /nfs/dbraw/zinc/77/37/57/949773757.db2.gz YAHPTSJOORDERD-NWDGAFQWSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575882417 949774821 /nfs/dbraw/zinc/77/48/21/949774821.db2.gz KPDGYAALDXJNKH-KOLCDFICSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575882417 949774828 /nfs/dbraw/zinc/77/48/28/949774828.db2.gz KPDGYAALDXJNKH-KOLCDFICSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576171750 949775885 /nfs/dbraw/zinc/77/58/85/949775885.db2.gz RXBWQKCSCIBRCM-CYBMUJFWSA-N -1 3 388.476 0.457 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576171750 949775902 /nfs/dbraw/zinc/77/59/02/949775902.db2.gz RXBWQKCSCIBRCM-CYBMUJFWSA-N -1 3 388.476 0.457 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574137912 949775785 /nfs/dbraw/zinc/77/57/85/949775785.db2.gz YUXSYXHEUVJURN-DGCLKSJQSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574137912 949775804 /nfs/dbraw/zinc/77/58/04/949775804.db2.gz YUXSYXHEUVJURN-DGCLKSJQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575560079 949777074 /nfs/dbraw/zinc/77/70/74/949777074.db2.gz JUHVANZBKCPMQX-NBZRYXJFSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575560079 949777097 /nfs/dbraw/zinc/77/70/97/949777097.db2.gz JUHVANZBKCPMQX-NBZRYXJFSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574718414 949778593 /nfs/dbraw/zinc/77/85/93/949778593.db2.gz WKOQVFJPJRABNU-VXGBXAGGSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574718414 949778611 /nfs/dbraw/zinc/77/86/11/949778611.db2.gz WKOQVFJPJRABNU-VXGBXAGGSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574137898 949779632 /nfs/dbraw/zinc/77/96/32/949779632.db2.gz YQUMVNIPKDNMDE-TZMCWYRMSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574137898 949779645 /nfs/dbraw/zinc/77/96/45/949779645.db2.gz YQUMVNIPKDNMDE-TZMCWYRMSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574481490 949781473 /nfs/dbraw/zinc/78/14/73/949781473.db2.gz QMDCQJDEMQYGER-CHWSQXEVSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1n[nH]cc1F ZINC001575882751 949788477 /nfs/dbraw/zinc/78/84/77/949788477.db2.gz NVCHBUVCCHCDJQ-LDYMZIIASA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1n[nH]cc1F ZINC001575882751 949788488 /nfs/dbraw/zinc/78/84/88/949788488.db2.gz NVCHBUVCCHCDJQ-LDYMZIIASA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718584 949789268 /nfs/dbraw/zinc/78/92/68/949789268.db2.gz ZQPWYPAWSSNFNV-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718584 949789283 /nfs/dbraw/zinc/78/92/83/949789283.db2.gz ZQPWYPAWSSNFNV-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882843 949790366 /nfs/dbraw/zinc/79/03/66/949790366.db2.gz OKYJXAMHMZHJHX-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882843 949790378 /nfs/dbraw/zinc/79/03/78/949790378.db2.gz OKYJXAMHMZHJHX-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718581 949790607 /nfs/dbraw/zinc/79/06/07/949790607.db2.gz ZQPWYPAWSSNFNV-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718581 949790625 /nfs/dbraw/zinc/79/06/25/949790625.db2.gz ZQPWYPAWSSNFNV-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575560528 949791395 /nfs/dbraw/zinc/79/13/95/949791395.db2.gz RFLWIETXGPEUFN-LPSAFJIBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575560528 949791411 /nfs/dbraw/zinc/79/14/11/949791411.db2.gz RFLWIETXGPEUFN-LPSAFJIBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574481627 949793083 /nfs/dbraw/zinc/79/30/83/949793083.db2.gz SEIIZGUOTGAUPS-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574481627 949793101 /nfs/dbraw/zinc/79/31/01/949793101.db2.gz SEIIZGUOTGAUPS-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575280874 949794300 /nfs/dbraw/zinc/79/43/00/949794300.db2.gz AYWBAHXDUBPVFU-MNOVXSKESA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575280874 949794314 /nfs/dbraw/zinc/79/43/14/949794314.db2.gz AYWBAHXDUBPVFU-MNOVXSKESA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575883029 949795202 /nfs/dbraw/zinc/79/52/02/949795202.db2.gz PDFUGMYODFHQMZ-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575883029 949795216 /nfs/dbraw/zinc/79/52/16/949795216.db2.gz PDFUGMYODFHQMZ-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575883057 949795615 /nfs/dbraw/zinc/79/56/15/949795615.db2.gz CGHZFHLKTXIEPW-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575883057 949795632 /nfs/dbraw/zinc/79/56/32/949795632.db2.gz CGHZFHLKTXIEPW-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)CCS(C)(=O)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574720588 949796302 /nfs/dbraw/zinc/79/63/02/949796302.db2.gz DGCZKYWENMPKFD-SECBINFHSA-N -1 3 385.425 0.094 20 0 GCADHM C[C@H](CN(C)C(=O)CCS(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574720588 949796318 /nfs/dbraw/zinc/79/63/18/949796318.db2.gz DGCZKYWENMPKFD-SECBINFHSA-N -1 3 385.425 0.094 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575883042 949797204 /nfs/dbraw/zinc/79/72/04/949797204.db2.gz BUQPOUONEUVKHP-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575883042 949797222 /nfs/dbraw/zinc/79/72/22/949797222.db2.gz BUQPOUONEUVKHP-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1cnnn1 ZINC001573822590 949799128 /nfs/dbraw/zinc/79/91/28/949799128.db2.gz KGWHJCVNEGLLDX-LBPRGKRZSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1cnnn1 ZINC001573822590 949799141 /nfs/dbraw/zinc/79/91/41/949799141.db2.gz KGWHJCVNEGLLDX-LBPRGKRZSA-N -1 3 385.436 0.281 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575883060 949800129 /nfs/dbraw/zinc/80/01/29/949800129.db2.gz CGHZFHLKTXIEPW-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575883060 949800153 /nfs/dbraw/zinc/80/01/53/949800153.db2.gz CGHZFHLKTXIEPW-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1cncn1 ZINC001573822638 949800324 /nfs/dbraw/zinc/80/03/24/949800324.db2.gz LJNXVASVAWBYQW-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1cncn1 ZINC001573822638 949800349 /nfs/dbraw/zinc/80/03/49/949800349.db2.gz LJNXVASVAWBYQW-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575883111 949802627 /nfs/dbraw/zinc/80/26/27/949802627.db2.gz PUDJAPRMHMRDGW-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575883111 949802652 /nfs/dbraw/zinc/80/26/52/949802652.db2.gz PUDJAPRMHMRDGW-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)C1CCOCC1 ZINC001575883088 949804203 /nfs/dbraw/zinc/80/42/03/949804203.db2.gz CLFROTSFFFFIFQ-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)C1CCOCC1 ZINC001575883088 949804227 /nfs/dbraw/zinc/80/42/27/949804227.db2.gz CLFROTSFFFFIFQ-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574965696 949809465 /nfs/dbraw/zinc/80/94/65/949809465.db2.gz JNGVBTRMPPCHMB-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574965696 949809492 /nfs/dbraw/zinc/80/94/92/949809492.db2.gz JNGVBTRMPPCHMB-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576172574 949810291 /nfs/dbraw/zinc/81/02/91/949810291.db2.gz XMZVWZULUVAFGR-OCCSQVGLSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576172574 949810313 /nfs/dbraw/zinc/81/03/13/949810313.db2.gz XMZVWZULUVAFGR-OCCSQVGLSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172559 949811178 /nfs/dbraw/zinc/81/11/78/949811178.db2.gz XDPQRQILCICEBS-ZWNOBZJWSA-N -1 3 383.420 0.518 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576172601 949813455 /nfs/dbraw/zinc/81/34/55/949813455.db2.gz XVHMJQSGCQZRCB-JSGCOSHPSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576172601 949813467 /nfs/dbraw/zinc/81/34/67/949813467.db2.gz XVHMJQSGCQZRCB-JSGCOSHPSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H](NC(=O)CN1CC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575281696 949816187 /nfs/dbraw/zinc/81/61/87/949816187.db2.gz AHXRBILYVBWHAS-MNOVXSKESA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H](NC(=O)CN1CC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575281696 949816208 /nfs/dbraw/zinc/81/62/08/949816208.db2.gz AHXRBILYVBWHAS-MNOVXSKESA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574721426 949817549 /nfs/dbraw/zinc/81/75/49/949817549.db2.gz LFHMNSUNSUNGRP-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574721426 949817570 /nfs/dbraw/zinc/81/75/70/949817570.db2.gz LFHMNSUNSUNGRP-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574965794 949819549 /nfs/dbraw/zinc/81/95/49/949819549.db2.gz LYJBGYNCKOQDKP-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574965794 949819568 /nfs/dbraw/zinc/81/95/68/949819568.db2.gz LYJBGYNCKOQDKP-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575883483 949821248 /nfs/dbraw/zinc/82/12/48/949821248.db2.gz RBUZMLSFFQILAM-DJOIZQNCSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575883483 949821268 /nfs/dbraw/zinc/82/12/68/949821268.db2.gz RBUZMLSFFQILAM-DJOIZQNCSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574965888 949822301 /nfs/dbraw/zinc/82/23/01/949822301.db2.gz ODVNKFRYLSUGII-BTDLBPIBSA-N -1 3 375.408 0.839 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574965888 949822319 /nfs/dbraw/zinc/82/23/19/949822319.db2.gz ODVNKFRYLSUGII-BTDLBPIBSA-N -1 3 375.408 0.839 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573823299 949823505 /nfs/dbraw/zinc/82/35/05/949823505.db2.gz UKXRJTVZRINROZ-SGTLLEGYSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573823299 949823531 /nfs/dbraw/zinc/82/35/31/949823531.db2.gz UKXRJTVZRINROZ-SGTLLEGYSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575562401 949826366 /nfs/dbraw/zinc/82/63/66/949826366.db2.gz GLDBONIIEPQARU-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575562401 949826387 /nfs/dbraw/zinc/82/63/87/949826387.db2.gz GLDBONIIEPQARU-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574139972 949827182 /nfs/dbraw/zinc/82/71/82/949827182.db2.gz MHCLIVPYLKJOSV-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574139972 949827199 /nfs/dbraw/zinc/82/71/99/949827199.db2.gz MHCLIVPYLKJOSV-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574483665 949829450 /nfs/dbraw/zinc/82/94/50/949829450.db2.gz HWUKYWIPUPRRHA-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574483665 949829475 /nfs/dbraw/zinc/82/94/75/949829475.db2.gz HWUKYWIPUPRRHA-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574483715 949834885 /nfs/dbraw/zinc/83/48/85/949834885.db2.gz JJNVURMZWCRHTH-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574483715 949834910 /nfs/dbraw/zinc/83/49/10/949834910.db2.gz JJNVURMZWCRHTH-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574483702 949838185 /nfs/dbraw/zinc/83/81/85/949838185.db2.gz JBZZQWOIKBMHRU-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574483702 949838215 /nfs/dbraw/zinc/83/82/15/949838215.db2.gz JBZZQWOIKBMHRU-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1cnnn1 ZINC001573823866 949840490 /nfs/dbraw/zinc/84/04/90/949840490.db2.gz ZVSDJJUPVYONMG-NSHDSACASA-N -1 3 389.399 0.030 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1cnnn1 ZINC001573823866 949840508 /nfs/dbraw/zinc/84/05/08/949840508.db2.gz ZVSDJJUPVYONMG-NSHDSACASA-N -1 3 389.399 0.030 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576173357 949840584 /nfs/dbraw/zinc/84/05/84/949840584.db2.gz XVPUXEDBRWXNRS-OCCSQVGLSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576173357 949840613 /nfs/dbraw/zinc/84/06/13/949840613.db2.gz XVPUXEDBRWXNRS-OCCSQVGLSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1csnn1 ZINC001575884258 949841984 /nfs/dbraw/zinc/84/19/84/949841984.db2.gz IAFKVOLNRLFJGO-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1csnn1 ZINC001575884258 949842003 /nfs/dbraw/zinc/84/20/03/949842003.db2.gz IAFKVOLNRLFJGO-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001573823877 949843868 /nfs/dbraw/zinc/84/38/68/949843868.db2.gz ADWATXJLEPTVKC-LLVKDONJSA-N -1 3 384.404 0.469 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001573823877 949843887 /nfs/dbraw/zinc/84/38/87/949843887.db2.gz ADWATXJLEPTVKC-LLVKDONJSA-N -1 3 384.404 0.469 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)COc1ccccc1 ZINC001575282749 949844112 /nfs/dbraw/zinc/84/41/12/949844112.db2.gz MHNHTCKWVJUQAM-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)COc1ccccc1 ZINC001575282749 949844128 /nfs/dbraw/zinc/84/41/28/949844128.db2.gz MHNHTCKWVJUQAM-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575884524 949847550 /nfs/dbraw/zinc/84/75/50/949847550.db2.gz URRQGBMBRHELTN-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575884524 949847573 /nfs/dbraw/zinc/84/75/73/949847573.db2.gz URRQGBMBRHELTN-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H](NC(=O)CN1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001575282922 949849197 /nfs/dbraw/zinc/84/91/97/949849197.db2.gz CQLCNHXEGJBJJR-GFCCVEGCSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](NC(=O)CN1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001575282922 949849217 /nfs/dbraw/zinc/84/92/17/949849217.db2.gz CQLCNHXEGJBJJR-GFCCVEGCSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1nccs1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574723646 949852022 /nfs/dbraw/zinc/85/20/22/949852022.db2.gz ALDBOVRPKSUUTN-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1nccs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574723646 949852048 /nfs/dbraw/zinc/85/20/48/949852048.db2.gz ALDBOVRPKSUUTN-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575283005 949852856 /nfs/dbraw/zinc/85/28/56/949852856.db2.gz DRQSBASNASEWDZ-ADLMAVQZSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283005 949852880 /nfs/dbraw/zinc/85/28/80/949852880.db2.gz DRQSBASNASEWDZ-ADLMAVQZSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573824582 949853687 /nfs/dbraw/zinc/85/36/87/949853687.db2.gz HNXBWPGIEWHQSJ-CKYFFXLPSA-N -1 3 387.448 0.404 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573824582 949853711 /nfs/dbraw/zinc/85/37/11/949853711.db2.gz HNXBWPGIEWHQSJ-CKYFFXLPSA-N -1 3 387.448 0.404 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncc[nH]2)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576177670 949854239 /nfs/dbraw/zinc/85/42/39/949854239.db2.gz ACYQXUWPCCGJLB-GXFFZTMASA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncc[nH]2)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576177670 949854257 /nfs/dbraw/zinc/85/42/57/949854257.db2.gz ACYQXUWPCCGJLB-GXFFZTMASA-N -1 3 383.416 0.589 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573824966 949856049 /nfs/dbraw/zinc/85/60/49/949856049.db2.gz JMBJCZAOXIBMOZ-LLVKDONJSA-N -1 3 387.448 0.405 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573824966 949856072 /nfs/dbraw/zinc/85/60/72/949856072.db2.gz JMBJCZAOXIBMOZ-LLVKDONJSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575885273 949857288 /nfs/dbraw/zinc/85/72/88/949857288.db2.gz WCILYKOGLZBICZ-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575885273 949857309 /nfs/dbraw/zinc/85/73/09/949857309.db2.gz WCILYKOGLZBICZ-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575564295 949858231 /nfs/dbraw/zinc/85/82/31/949858231.db2.gz QARBUNSXNLXKQZ-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575564295 949858246 /nfs/dbraw/zinc/85/82/46/949858246.db2.gz QARBUNSXNLXKQZ-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H](NC(=O)COC1CCOCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575283145 949859298 /nfs/dbraw/zinc/85/92/98/949859298.db2.gz NUZZSJGNRVQABN-MNOVXSKESA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@H](NC(=O)COC1CCOCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575283145 949859328 /nfs/dbraw/zinc/85/93/28/949859328.db2.gz NUZZSJGNRVQABN-MNOVXSKESA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1ccnc1 ZINC001574484117 949859706 /nfs/dbraw/zinc/85/97/06/949859706.db2.gz VUHDSQOGTSHYJI-KCQAQPDRSA-N -1 3 394.443 0.542 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001576177792 949862681 /nfs/dbraw/zinc/86/26/81/949862681.db2.gz BPNJRAJXLJLBLN-CABZTGNLSA-N -1 3 386.395 0.872 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C1CCOCC1)C1CC1 ZINC001574966994 949863087 /nfs/dbraw/zinc/86/30/87/949863087.db2.gz DGYDVRLEZUTZOC-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C1CCOCC1)C1CC1 ZINC001574966994 949863113 /nfs/dbraw/zinc/86/31/13/949863113.db2.gz DGYDVRLEZUTZOC-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C1CC1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575283372 949863056 /nfs/dbraw/zinc/86/30/56/949863056.db2.gz FUZVFLFAQWVJFI-RKDXNWHRSA-N -1 3 392.851 0.746 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C1CC1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575283372 949863074 /nfs/dbraw/zinc/86/30/74/949863074.db2.gz FUZVFLFAQWVJFI-RKDXNWHRSA-N -1 3 392.851 0.746 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1cnc[nH]1 ZINC001575885475 949863549 /nfs/dbraw/zinc/86/35/49/949863549.db2.gz WWAHFCVQIFQEKH-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C1CC1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575283365 949863382 /nfs/dbraw/zinc/86/33/82/949863382.db2.gz FUZVFLFAQWVJFI-BDAKNGLRSA-N -1 3 392.851 0.746 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C1CC1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575283365 949863398 /nfs/dbraw/zinc/86/33/98/949863398.db2.gz FUZVFLFAQWVJFI-BDAKNGLRSA-N -1 3 392.851 0.746 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001575283367 949864093 /nfs/dbraw/zinc/86/40/93/949864093.db2.gz FUZVFLFAQWVJFI-DTWKUNHWSA-N -1 3 392.851 0.746 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001575283367 949864105 /nfs/dbraw/zinc/86/41/05/949864105.db2.gz FUZVFLFAQWVJFI-DTWKUNHWSA-N -1 3 392.851 0.746 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573825191 949864496 /nfs/dbraw/zinc/86/44/96/949864496.db2.gz MEPLQZHASMGUTF-AWEZNQCLSA-N -1 3 386.460 0.250 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573825191 949864516 /nfs/dbraw/zinc/86/45/16/949864516.db2.gz MEPLQZHASMGUTF-AWEZNQCLSA-N -1 3 386.460 0.250 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1cnc[nH]1 ZINC001575885469 949865960 /nfs/dbraw/zinc/86/59/60/949865960.db2.gz WWAHFCVQIFQEKH-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573825241 949866113 /nfs/dbraw/zinc/86/61/13/949866113.db2.gz ODBQNVCSTTUZHQ-PWSUYJOCSA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573825241 949866141 /nfs/dbraw/zinc/86/61/41/949866141.db2.gz ODBQNVCSTTUZHQ-PWSUYJOCSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1=O)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575283312 949867878 /nfs/dbraw/zinc/86/78/78/949867878.db2.gz FDSOEEJHDIGAMS-WDEREUQCSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1=O)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575283312 949867893 /nfs/dbraw/zinc/86/78/93/949867893.db2.gz FDSOEEJHDIGAMS-WDEREUQCSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575885633 949869611 /nfs/dbraw/zinc/86/96/11/949869611.db2.gz KLCHONDISKGNEY-IGMMHVEYSA-N -1 3 385.428 0.197 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573825252 949869870 /nfs/dbraw/zinc/86/98/70/949869870.db2.gz OGDIYURBFWFXQJ-KGPNIALWSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573825252 949869890 /nfs/dbraw/zinc/86/98/90/949869890.db2.gz OGDIYURBFWFXQJ-KGPNIALWSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575885633 949869626 /nfs/dbraw/zinc/86/96/26/949869626.db2.gz KLCHONDISKGNEY-IGMMHVEYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574724618 949870942 /nfs/dbraw/zinc/87/09/42/949870942.db2.gz IHOYVLQTBYREQI-LBPRGKRZSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574724618 949870960 /nfs/dbraw/zinc/87/09/60/949870960.db2.gz IHOYVLQTBYREQI-LBPRGKRZSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCc1ccon1 ZINC001575885638 949872115 /nfs/dbraw/zinc/87/21/15/949872115.db2.gz KPRZGHOPUVURTI-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCc1ccon1 ZINC001575885638 949872137 /nfs/dbraw/zinc/87/21/37/949872137.db2.gz KPRZGHOPUVURTI-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575885729 949872557 /nfs/dbraw/zinc/87/25/57/949872557.db2.gz KZPUVGBJBWVSEE-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575885729 949872578 /nfs/dbraw/zinc/87/25/78/949872578.db2.gz KZPUVGBJBWVSEE-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575886145 949874010 /nfs/dbraw/zinc/87/40/10/949874010.db2.gz XGCAYTRZPLZBIE-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575886145 949874031 /nfs/dbraw/zinc/87/40/31/949874031.db2.gz XGCAYTRZPLZBIE-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574967709 949874030 /nfs/dbraw/zinc/87/40/30/949874030.db2.gz JORSDIYSJRTZLZ-LLVKDONJSA-N -1 3 381.444 0.739 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574967709 949874046 /nfs/dbraw/zinc/87/40/46/949874046.db2.gz JORSDIYSJRTZLZ-LLVKDONJSA-N -1 3 381.444 0.739 20 0 GCADHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001573825353 949876297 /nfs/dbraw/zinc/87/62/97/949876297.db2.gz SYUMKJCAFVCBNK-BZUAXINKSA-N -1 3 388.472 0.791 20 0 GCADHM CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001573825353 949876311 /nfs/dbraw/zinc/87/63/11/949876311.db2.gz SYUMKJCAFVCBNK-BZUAXINKSA-N -1 3 388.472 0.791 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575886149 949876514 /nfs/dbraw/zinc/87/65/14/949876514.db2.gz XGCAYTRZPLZBIE-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575886149 949876533 /nfs/dbraw/zinc/87/65/33/949876533.db2.gz XGCAYTRZPLZBIE-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001574967701 949876769 /nfs/dbraw/zinc/87/67/69/949876769.db2.gz JNOUBZDDNOPUJV-VIFPVBQESA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001574967701 949876792 /nfs/dbraw/zinc/87/67/92/949876792.db2.gz JNOUBZDDNOPUJV-VIFPVBQESA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575885815 949877541 /nfs/dbraw/zinc/87/75/41/949877541.db2.gz LKNDRBVEXIAGAY-PWSUYJOCSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575885815 949877565 /nfs/dbraw/zinc/87/75/65/949877565.db2.gz LKNDRBVEXIAGAY-PWSUYJOCSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)C1(F)CCOCC1 ZINC001574967624 949878704 /nfs/dbraw/zinc/87/87/04/949878704.db2.gz IHLKAUVRYWOEGS-SNVBAGLBSA-N -1 3 379.396 0.196 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)C1(F)CCOCC1 ZINC001574967624 949878731 /nfs/dbraw/zinc/87/87/31/949878731.db2.gz IHLKAUVRYWOEGS-SNVBAGLBSA-N -1 3 379.396 0.196 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574724730 949878811 /nfs/dbraw/zinc/87/88/11/949878811.db2.gz KIOIETMJRAYKEE-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574724730 949878833 /nfs/dbraw/zinc/87/88/33/949878833.db2.gz KIOIETMJRAYKEE-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574724698 949879012 /nfs/dbraw/zinc/87/90/12/949879012.db2.gz JMFXBNNGGIFKQN-JTQLQIEISA-N -1 3 388.411 0.421 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574724698 949879035 /nfs/dbraw/zinc/87/90/35/949879035.db2.gz JMFXBNNGGIFKQN-JTQLQIEISA-N -1 3 388.411 0.421 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574484435 949879536 /nfs/dbraw/zinc/87/95/36/949879536.db2.gz GJWCNFOJMWHIBT-QWHCGFSZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574484435 949879559 /nfs/dbraw/zinc/87/95/59/949879559.db2.gz GJWCNFOJMWHIBT-QWHCGFSZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001574968029 949879769 /nfs/dbraw/zinc/87/97/69/949879769.db2.gz LEYNRAOMPXTMOT-BMIGLBTASA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001574968029 949879787 /nfs/dbraw/zinc/87/97/87/949879787.db2.gz LEYNRAOMPXTMOT-BMIGLBTASA-N -1 3 379.371 0.865 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574968004 949881563 /nfs/dbraw/zinc/88/15/63/949881563.db2.gz KWDIFCHCGAWIOQ-REJLFOLJSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574968004 949881584 /nfs/dbraw/zinc/88/15/84/949881584.db2.gz KWDIFCHCGAWIOQ-REJLFOLJSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC/C=C\CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573825501 949883432 /nfs/dbraw/zinc/88/34/32/949883432.db2.gz XYXIHGMIAOXTPF-ZFDPJTLLSA-N -1 3 387.448 0.429 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC/C=C\CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573825501 949883455 /nfs/dbraw/zinc/88/34/55/949883455.db2.gz XYXIHGMIAOXTPF-ZFDPJTLLSA-N -1 3 387.448 0.429 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001574967957 949883820 /nfs/dbraw/zinc/88/38/20/949883820.db2.gz KJLPLQAKVPUMAN-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001574967957 949883842 /nfs/dbraw/zinc/88/38/42/949883842.db2.gz KJLPLQAKVPUMAN-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NC/C=C/CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573825500 949884834 /nfs/dbraw/zinc/88/48/34/949884834.db2.gz XYXIHGMIAOXTPF-MUBLQREKSA-N -1 3 387.448 0.429 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NC/C=C/CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573825500 949884851 /nfs/dbraw/zinc/88/48/51/949884851.db2.gz XYXIHGMIAOXTPF-MUBLQREKSA-N -1 3 387.448 0.429 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cnns1)C1CC1 ZINC001574968170 949886317 /nfs/dbraw/zinc/88/63/17/949886317.db2.gz MTONMOAOFYNLII-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cnns1)C1CC1 ZINC001574968170 949886337 /nfs/dbraw/zinc/88/63/37/949886337.db2.gz MTONMOAOFYNLII-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484611 949887189 /nfs/dbraw/zinc/88/71/89/949887189.db2.gz KVFYDDRQVOKKOX-WCQYABFASA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484611 949887208 /nfs/dbraw/zinc/88/72/08/949887208.db2.gz KVFYDDRQVOKKOX-WCQYABFASA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CN(C)C(=O)C1CC1 ZINC001575283746 949887272 /nfs/dbraw/zinc/88/72/72/949887272.db2.gz HHRAENBYOULSFJ-VHSXEESVSA-N -1 3 390.423 0.574 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CN(C)C(=O)C1CC1 ZINC001575283746 949887290 /nfs/dbraw/zinc/88/72/90/949887290.db2.gz HHRAENBYOULSFJ-VHSXEESVSA-N -1 3 390.423 0.574 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574725072 949890474 /nfs/dbraw/zinc/89/04/74/949890474.db2.gz OVCFIBXWEAFRMD-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574725072 949890495 /nfs/dbraw/zinc/89/04/95/949890495.db2.gz OVCFIBXWEAFRMD-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575886992 949891156 /nfs/dbraw/zinc/89/11/56/949891156.db2.gz NPHWZEDVCGJPMF-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575886992 949891176 /nfs/dbraw/zinc/89/11/76/949891176.db2.gz NPHWZEDVCGJPMF-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001574968356 949893814 /nfs/dbraw/zinc/89/38/14/949893814.db2.gz OFWLVPVYTSUPQD-QWRGUYRKSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001574968356 949893837 /nfs/dbraw/zinc/89/38/37/949893837.db2.gz OFWLVPVYTSUPQD-QWRGUYRKSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575887039 949894465 /nfs/dbraw/zinc/89/44/65/949894465.db2.gz YFJMMRHPEJKDDE-SMDDNHRTSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575887039 949894491 /nfs/dbraw/zinc/89/44/91/949894491.db2.gz YFJMMRHPEJKDDE-SMDDNHRTSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1CCNC(=O)C1CC1 ZINC001575887135 949898154 /nfs/dbraw/zinc/89/81/54/949898154.db2.gz NWWRURQQLGAGPY-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CCNC(=O)C1CC1 ZINC001575887135 949898170 /nfs/dbraw/zinc/89/81/70/949898170.db2.gz NWWRURQQLGAGPY-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ncc(F)cc1F ZINC001574968556 949902952 /nfs/dbraw/zinc/90/29/52/949902952.db2.gz PXYJJWMCSCVGAF-MRVPVSSYSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ncc(F)cc1F ZINC001574968556 949902971 /nfs/dbraw/zinc/90/29/71/949902971.db2.gz PXYJJWMCSCVGAF-MRVPVSSYSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574725623 949905998 /nfs/dbraw/zinc/90/59/98/949905998.db2.gz UAFXPMDQGAJOIX-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574725623 949906034 /nfs/dbraw/zinc/90/60/34/949906034.db2.gz UAFXPMDQGAJOIX-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)C[C@@H](C)N(C)C(=O)CN(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574144280 949906113 /nfs/dbraw/zinc/90/61/13/949906113.db2.gz NBBZQKADIPMLMH-CYBMUJFWSA-N -1 3 390.492 0.749 20 0 GCADHM CC(C)C[C@@H](C)N(C)C(=O)CN(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574144280 949906131 /nfs/dbraw/zinc/90/61/31/949906131.db2.gz NBBZQKADIPMLMH-CYBMUJFWSA-N -1 3 390.492 0.749 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1cnoc1 ZINC001575887764 949908800 /nfs/dbraw/zinc/90/88/00/949908800.db2.gz ZZWPDSYALRDBBV-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1cnoc1 ZINC001575887764 949908816 /nfs/dbraw/zinc/90/88/16/949908816.db2.gz ZZWPDSYALRDBBV-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574725736 949909423 /nfs/dbraw/zinc/90/94/23/949909423.db2.gz CFYZYMUAMMWITI-PWSUYJOCSA-N -1 3 379.396 0.465 20 0 GCADHM C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574725736 949909432 /nfs/dbraw/zinc/90/94/32/949909432.db2.gz CFYZYMUAMMWITI-PWSUYJOCSA-N -1 3 379.396 0.465 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccnnc1)C1CC1 ZINC001574968662 949909787 /nfs/dbraw/zinc/90/97/87/949909787.db2.gz RIUGVVCCEQEFEA-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccnnc1)C1CC1 ZINC001574968662 949909806 /nfs/dbraw/zinc/90/98/06/949909806.db2.gz RIUGVVCCEQEFEA-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1CC(=O)N(C)C1CC1 ZINC001575887762 949911631 /nfs/dbraw/zinc/91/16/31/949911631.db2.gz OTAKBOZHNVKSBS-SMDDNHRTSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CC(=O)N(C)C1CC1 ZINC001575887762 949911651 /nfs/dbraw/zinc/91/16/51/949911651.db2.gz OTAKBOZHNVKSBS-SMDDNHRTSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001574968850 949913064 /nfs/dbraw/zinc/91/30/64/949913064.db2.gz UJLURQCAVRGABK-SJORKVTESA-N -1 3 391.407 0.338 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001574968850 949913081 /nfs/dbraw/zinc/91/30/81/949913081.db2.gz UJLURQCAVRGABK-SJORKVTESA-N -1 3 391.407 0.338 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001574968807 949915624 /nfs/dbraw/zinc/91/56/24/949915624.db2.gz SRVTWXUUGLABIV-KRWDZBQOSA-N -1 3 387.444 0.515 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001574968807 949915648 /nfs/dbraw/zinc/91/56/48/949915648.db2.gz SRVTWXUUGLABIV-KRWDZBQOSA-N -1 3 387.444 0.515 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575887921 949916132 /nfs/dbraw/zinc/91/61/32/949916132.db2.gz PFGFBXWDTYIQMS-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575887921 949916152 /nfs/dbraw/zinc/91/61/52/949916152.db2.gz PFGFBXWDTYIQMS-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284705 949916816 /nfs/dbraw/zinc/91/68/16/949916816.db2.gz VWTWMYRDTQDMNZ-VXGBXAGGSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284705 949916836 /nfs/dbraw/zinc/91/68/36/949916836.db2.gz VWTWMYRDTQDMNZ-VXGBXAGGSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574144604 949917853 /nfs/dbraw/zinc/91/78/53/949917853.db2.gz PZJNYFSXNKECTJ-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574144604 949917871 /nfs/dbraw/zinc/91/78/71/949917871.db2.gz PZJNYFSXNKECTJ-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575888999 949919007 /nfs/dbraw/zinc/91/90/07/949919007.db2.gz RAKLWCVVRNTUQI-JOYOIKCWSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575888999 949919029 /nfs/dbraw/zinc/91/90/29/949919029.db2.gz RAKLWCVVRNTUQI-JOYOIKCWSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(Cl)cn1C ZINC001574969016 949922086 /nfs/dbraw/zinc/92/20/86/949922086.db2.gz YAQAKSASYLESGP-VIFPVBQESA-N -1 3 390.835 0.983 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(Cl)cn1C ZINC001574969016 949922099 /nfs/dbraw/zinc/92/20/99/949922099.db2.gz YAQAKSASYLESGP-VIFPVBQESA-N -1 3 390.835 0.983 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574969007 949923077 /nfs/dbraw/zinc/92/30/77/949923077.db2.gz XUGDDAHOSMUFFA-YVLXSGLVSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574969007 949923097 /nfs/dbraw/zinc/92/30/97/949923097.db2.gz XUGDDAHOSMUFFA-YVLXSGLVSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H](C)NC(=O)CN1CCCC1=O ZINC001575284853 949923081 /nfs/dbraw/zinc/92/30/81/949923081.db2.gz KMUNELPOLXHRPF-VHSXEESVSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H](C)NC(=O)CN1CCCC1=O ZINC001575284853 949923096 /nfs/dbraw/zinc/92/30/96/949923096.db2.gz KMUNELPOLXHRPF-VHSXEESVSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575889081 949924591 /nfs/dbraw/zinc/92/45/91/949924591.db2.gz RQBFVXYUKSGVKP-SFYZADRCSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575889081 949924608 /nfs/dbraw/zinc/92/46/08/949924608.db2.gz RQBFVXYUKSGVKP-SFYZADRCSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575284970 949924656 /nfs/dbraw/zinc/92/46/56/949924656.db2.gz XHSLBTBCMRBXOK-RYUDHWBXSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575284970 949924673 /nfs/dbraw/zinc/92/46/73/949924673.db2.gz XHSLBTBCMRBXOK-RYUDHWBXSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cc[nH]n1 ZINC001575889090 949925386 /nfs/dbraw/zinc/92/53/86/949925386.db2.gz RSRICGUDCSOOFE-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM CC(C)C[C@@H](C)OCCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574145386 949925855 /nfs/dbraw/zinc/92/58/55/949925855.db2.gz SGDOSDPXTHEAKR-GFCCVEGCSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@@H](C)OCCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574145386 949925870 /nfs/dbraw/zinc/92/58/70/949925870.db2.gz SGDOSDPXTHEAKR-GFCCVEGCSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)COCC1CCCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574726034 949926821 /nfs/dbraw/zinc/92/68/21/949926821.db2.gz FSNUJUYXKYNSDI-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)COCC1CCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574726034 949926837 /nfs/dbraw/zinc/92/68/37/949926837.db2.gz FSNUJUYXKYNSDI-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574969096 949928851 /nfs/dbraw/zinc/92/88/51/949928851.db2.gz ZSPXDEZYNZOVHE-VIFPVBQESA-N -1 3 385.407 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574969096 949928867 /nfs/dbraw/zinc/92/88/67/949928867.db2.gz ZSPXDEZYNZOVHE-VIFPVBQESA-N -1 3 385.407 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574969076 949929207 /nfs/dbraw/zinc/92/92/07/949929207.db2.gz ZDEOTDZLRMSUEU-MNOVXSKESA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574969076 949929226 /nfs/dbraw/zinc/92/92/26/949929226.db2.gz ZDEOTDZLRMSUEU-MNOVXSKESA-N -1 3 385.432 0.214 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)CCNC1=O ZINC001575569745 949929550 /nfs/dbraw/zinc/92/95/50/949929550.db2.gz NLGJAJKNAILLDW-KRWDZBQOSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)CCNC1=O ZINC001575569745 949929566 /nfs/dbraw/zinc/92/95/66/949929566.db2.gz NLGJAJKNAILLDW-KRWDZBQOSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cncn1C ZINC001574972164 949932285 /nfs/dbraw/zinc/93/22/85/949932285.db2.gz BGBMCNVSLWSOAC-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001574972551 949937698 /nfs/dbraw/zinc/93/76/98/949937698.db2.gz CYSSHVXMDKNWSK-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001574972551 949937715 /nfs/dbraw/zinc/93/77/15/949937715.db2.gz CYSSHVXMDKNWSK-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285348 949944651 /nfs/dbraw/zinc/94/46/51/949944651.db2.gz NGHCJRPCUJAEDW-RYUDHWBXSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285348 949944668 /nfs/dbraw/zinc/94/46/68/949944668.db2.gz NGHCJRPCUJAEDW-RYUDHWBXSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285508 949945523 /nfs/dbraw/zinc/94/55/23/949945523.db2.gz NXTASAICUAYSNJ-MNOVXSKESA-N -1 3 378.412 0.038 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285508 949945545 /nfs/dbraw/zinc/94/55/45/949945545.db2.gz NXTASAICUAYSNJ-MNOVXSKESA-N -1 3 378.412 0.038 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574146339 949945948 /nfs/dbraw/zinc/94/59/48/949945948.db2.gz YBHSCVSUFKXUGG-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574146339 949945963 /nfs/dbraw/zinc/94/59/63/949945963.db2.gz YBHSCVSUFKXUGG-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CN1CCOCC1 ZINC001575285510 949948291 /nfs/dbraw/zinc/94/82/91/949948291.db2.gz NXTASAICUAYSNJ-WDEREUQCSA-N -1 3 378.412 0.038 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CN1CCOCC1 ZINC001575285510 949948307 /nfs/dbraw/zinc/94/83/07/949948307.db2.gz NXTASAICUAYSNJ-WDEREUQCSA-N -1 3 378.412 0.038 20 0 GCADHM C[C@H](NC(=O)CN1CCOCC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575285476 949948743 /nfs/dbraw/zinc/94/87/43/949948743.db2.gz NPULGYZIUPBLEX-LBPRGKRZSA-N -1 3 391.501 0.197 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1cncnc1 ZINC001574973076 949953428 /nfs/dbraw/zinc/95/34/28/949953428.db2.gz GMMXXIUTQWMXBD-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cncnc1 ZINC001574973076 949953446 /nfs/dbraw/zinc/95/34/46/949953446.db2.gz GMMXXIUTQWMXBD-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574488947 949958863 /nfs/dbraw/zinc/95/88/63/949958863.db2.gz HLEBZCMSJUTGJT-AGIUHOORSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574488948 949959983 /nfs/dbraw/zinc/95/99/83/949959983.db2.gz HLEBZCMSJUTGJT-AVGNSLFASA-N -1 3 380.416 0.294 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575890550 949960368 /nfs/dbraw/zinc/96/03/68/949960368.db2.gz XXEISOFXSREZNJ-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575890550 949960381 /nfs/dbraw/zinc/96/03/81/949960381.db2.gz XXEISOFXSREZNJ-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001574973971 949961113 /nfs/dbraw/zinc/96/11/13/949961113.db2.gz JVXIIVQDAUPYAP-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573829650 949961384 /nfs/dbraw/zinc/96/13/84/949961384.db2.gz AGYVHYMWUXTRRK-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573829650 949961399 /nfs/dbraw/zinc/96/13/99/949961399.db2.gz AGYVHYMWUXTRRK-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001574973972 949962132 /nfs/dbraw/zinc/96/21/32/949962132.db2.gz JVXIIVQDAUPYAP-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CN1CCCCC1=O ZINC001575285869 949962410 /nfs/dbraw/zinc/96/24/10/949962410.db2.gz RNTGUCHGFOJNGI-WDEREUQCSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CN1CCCCC1=O ZINC001575285869 949962426 /nfs/dbraw/zinc/96/24/26/949962426.db2.gz RNTGUCHGFOJNGI-WDEREUQCSA-N -1 3 390.423 0.718 20 0 GCADHM CC(C)C[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147988 949964301 /nfs/dbraw/zinc/96/43/01/949964301.db2.gz ICJCZUOPIHRCEN-CHWSQXEVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147988 949964317 /nfs/dbraw/zinc/96/43/17/949964317.db2.gz ICJCZUOPIHRCEN-CHWSQXEVSA-N -1 3 389.460 0.882 20 0 GCADHM CC1(C(=O)N[C@H]2COC3(CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)CCC1 ZINC001575571856 949965309 /nfs/dbraw/zinc/96/53/09/949965309.db2.gz BJWSJNJKGUOLJD-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM C[C@H](C(=O)N1CCC(C)CC1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576180626 949965538 /nfs/dbraw/zinc/96/55/38/949965538.db2.gz PHMTUYOQMULNDK-GFCCVEGCSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](C(=O)N1CCC(C)CC1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576180626 949965555 /nfs/dbraw/zinc/96/55/55/949965555.db2.gz PHMTUYOQMULNDK-GFCCVEGCSA-N -1 3 386.460 0.256 20 0 GCADHM CC1(C(=O)N[C@H]2COC3(CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)CCC1 ZINC001575571856 949965326 /nfs/dbraw/zinc/96/53/26/949965326.db2.gz BJWSJNJKGUOLJD-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727458 949966605 /nfs/dbraw/zinc/96/66/05/949966605.db2.gz TVFADXAAMSLPJN-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CN(C)C(=O)COCc1nccn1C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727458 949966621 /nfs/dbraw/zinc/96/66/21/949966621.db2.gz TVFADXAAMSLPJN-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574727312 949966824 /nfs/dbraw/zinc/96/68/24/949966824.db2.gz RVARIFYNFCKCNA-JTQLQIEISA-N -1 3 392.851 0.796 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574727312 949966837 /nfs/dbraw/zinc/96/68/37/949966837.db2.gz RVARIFYNFCKCNA-JTQLQIEISA-N -1 3 392.851 0.796 20 0 GCADHM C[C@@](CNC(=O)[C@]1(C)CCOC1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575572004 949968528 /nfs/dbraw/zinc/96/85/28/949968528.db2.gz CJFTXOHDMVKQTP-MSOLQXFVSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)[C@]1(C)CCOC1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575572004 949968545 /nfs/dbraw/zinc/96/85/45/949968545.db2.gz CJFTXOHDMVKQTP-MSOLQXFVSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001574974266 949973105 /nfs/dbraw/zinc/97/31/05/949973105.db2.gz MWAPWCZCGBWWHJ-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001574974266 949973118 /nfs/dbraw/zinc/97/31/18/949973118.db2.gz MWAPWCZCGBWWHJ-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575286192 949973437 /nfs/dbraw/zinc/97/34/37/949973437.db2.gz UKGPZFMAUYRACR-SMDDNHRTSA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnn1C ZINC001574148158 949974944 /nfs/dbraw/zinc/97/49/44/949974944.db2.gz LLZBOXQZPMJGQC-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnn1C ZINC001574148158 949974964 /nfs/dbraw/zinc/97/49/64/949974964.db2.gz LLZBOXQZPMJGQC-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001574148137 949975889 /nfs/dbraw/zinc/97/58/89/949975889.db2.gz LENUREOQOVOGBH-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001574148137 949975904 /nfs/dbraw/zinc/97/59/04/949975904.db2.gz LENUREOQOVOGBH-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CC(C)(C)CO1 ZINC001574974302 949977506 /nfs/dbraw/zinc/97/75/06/949977506.db2.gz NVUHTURLVRTHIP-AAEUAGOBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CC(C)(C)CO1 ZINC001574974302 949977524 /nfs/dbraw/zinc/97/75/24/949977524.db2.gz NVUHTURLVRTHIP-AAEUAGOBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575890980 949978281 /nfs/dbraw/zinc/97/82/81/949978281.db2.gz CJVOLJRGESIVKG-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575890980 949978298 /nfs/dbraw/zinc/97/82/98/949978298.db2.gz CJVOLJRGESIVKG-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cnns1 ZINC001575890989 949979279 /nfs/dbraw/zinc/97/92/79/949979279.db2.gz CLZJURCOCQPWMS-IUCAKERBSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cnns1 ZINC001575890989 949979303 /nfs/dbraw/zinc/97/93/03/949979303.db2.gz CLZJURCOCQPWMS-IUCAKERBSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573830721 949979648 /nfs/dbraw/zinc/97/96/48/949979648.db2.gz PMOVBIAQHVFBCU-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573830721 949979662 /nfs/dbraw/zinc/97/96/62/949979662.db2.gz PMOVBIAQHVFBCU-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CC(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)NC(N)=O ZINC001574490171 949979900 /nfs/dbraw/zinc/97/99/00/949979900.db2.gz NVRPQXWWOCPIOA-QGHHPUGFSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H](CC(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)NC(N)=O ZINC001574490171 949979906 /nfs/dbraw/zinc/97/99/06/949979906.db2.gz NVRPQXWWOCPIOA-QGHHPUGFSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574727711 949980599 /nfs/dbraw/zinc/98/05/99/949980599.db2.gz YDQDHOPPJWCDCD-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574727711 949980620 /nfs/dbraw/zinc/98/06/20/949980620.db2.gz YDQDHOPPJWCDCD-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574974304 949981238 /nfs/dbraw/zinc/98/12/38/949981238.db2.gz NVUHTURLVRTHIP-WCQYABFASA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574974304 949981262 /nfs/dbraw/zinc/98/12/62/949981262.db2.gz NVUHTURLVRTHIP-WCQYABFASA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573831011 949984855 /nfs/dbraw/zinc/98/48/55/949984855.db2.gz QOBIAQUYRPHXOH-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573831011 949984875 /nfs/dbraw/zinc/98/48/75/949984875.db2.gz QOBIAQUYRPHXOH-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1ccnc1 ZINC001574148707 949987952 /nfs/dbraw/zinc/98/79/52/949987952.db2.gz OVCCCUUPQNWQHA-LBPRGKRZSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1ccnc1 ZINC001574148707 949987961 /nfs/dbraw/zinc/98/79/61/949987961.db2.gz OVCCCUUPQNWQHA-LBPRGKRZSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@]1(C)CCOC1 ZINC001574148469 949988998 /nfs/dbraw/zinc/98/89/98/949988998.db2.gz NWBURONZZFSDLU-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@]1(C)CCOC1 ZINC001574148469 949989015 /nfs/dbraw/zinc/98/90/15/949989015.db2.gz NWBURONZZFSDLU-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM 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C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575891198 949990814 /nfs/dbraw/zinc/99/08/14/949990814.db2.gz GLNYXNKMHLWHTI-JQWIXIFHSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@H](CCNc1cccc(F)c1-c1nnn[n-]1)NC(=O)C[C@H](C)NC(N)=O ZINC001574490410 949993078 /nfs/dbraw/zinc/99/30/78/949993078.db2.gz RDEAWDQPRULHAG-ZJUUUORDSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@H](CCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C[C@H](C)NC(N)=O ZINC001574490410 949993099 /nfs/dbraw/zinc/99/30/99/949993099.db2.gz RDEAWDQPRULHAG-ZJUUUORDSA-N -1 3 378.412 0.759 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148779 949993968 /nfs/dbraw/zinc/99/39/68/949993968.db2.gz PYIBPMOCACYMEM-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148779 949993990 /nfs/dbraw/zinc/99/39/90/949993990.db2.gz PYIBPMOCACYMEM-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576181263 949995163 /nfs/dbraw/zinc/99/51/63/949995163.db2.gz LKTXBMSUBCYOLQ-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576181263 949995182 /nfs/dbraw/zinc/99/51/82/949995182.db2.gz LKTXBMSUBCYOLQ-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM CC1CCN(C(=O)CN(C)CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001576181329 949996120 /nfs/dbraw/zinc/99/61/20/949996120.db2.gz HOKBLXUHLWEYSR-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM CC1CCN(C(=O)CN(C)CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001576181329 949996146 /nfs/dbraw/zinc/99/61/46/949996146.db2.gz HOKBLXUHLWEYSR-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC(=O)C1 ZINC001575573544 949997534 /nfs/dbraw/zinc/99/75/34/949997534.db2.gz MVJYRNIUDMZSMZ-MRXNPFEDSA-N -1 3 375.458 0.145 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575573604 949998076 /nfs/dbraw/zinc/99/80/76/949998076.db2.gz NRMWTWBPSRIMHW-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575573604 949998101 /nfs/dbraw/zinc/99/81/01/949998101.db2.gz NRMWTWBPSRIMHW-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C2CC2)on1 ZINC001574974718 950000505 /nfs/dbraw/zinc/00/05/05/950000505.db2.gz SDZDCPLSDUQLIJ-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C2CC2)on1 ZINC001574974718 950000528 /nfs/dbraw/zinc/00/05/28/950000528.db2.gz SDZDCPLSDUQLIJ-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576181346 950001358 /nfs/dbraw/zinc/00/13/58/950001358.db2.gz HSBSGHBYNMCOMT-AAEUAGOBSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576181346 950001379 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SUQHEFJLAMUKIA-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001574974743 950003695 /nfs/dbraw/zinc/00/36/95/950003695.db2.gz SUQHEFJLAMUKIA-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574149131 950005804 /nfs/dbraw/zinc/00/58/04/950005804.db2.gz TZLALONHPKLTTD-NWDGAFQWSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574149131 950005824 /nfs/dbraw/zinc/00/58/24/950005824.db2.gz TZLALONHPKLTTD-NWDGAFQWSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575574293 950011261 /nfs/dbraw/zinc/01/12/61/950011261.db2.gz SMXAVXFXXGECDB-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575574293 950011277 /nfs/dbraw/zinc/01/12/77/950011277.db2.gz SMXAVXFXXGECDB-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575574291 950012273 /nfs/dbraw/zinc/01/22/73/950012273.db2.gz SMXAVXFXXGECDB-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575574291 950012294 /nfs/dbraw/zinc/01/22/94/950012294.db2.gz SMXAVXFXXGECDB-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575574292 950014128 /nfs/dbraw/zinc/01/41/28/950014128.db2.gz SMXAVXFXXGECDB-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575574292 950014149 /nfs/dbraw/zinc/01/41/49/950014149.db2.gz SMXAVXFXXGECDB-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1Cc2ccncc2C1 ZINC001574975157 950014957 /nfs/dbraw/zinc/01/49/57/950014957.db2.gz FNDYLUKWJFHNOP-JQWIXIFHSA-N -1 3 380.412 0.239 20 0 GCADHM 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950026289 /nfs/dbraw/zinc/02/62/89/950026289.db2.gz WBQJWJPWSBMMLU-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@](CNC(=O)[C@@]1(C)CCOC1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575574761 950027419 /nfs/dbraw/zinc/02/74/19/950027419.db2.gz YKVUGMYIJBRJBR-ZWKOTPCHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)[C@@]1(C)CCOC1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575574761 950027433 /nfs/dbraw/zinc/02/74/33/950027433.db2.gz YKVUGMYIJBRJBR-ZWKOTPCHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575891756 950028967 /nfs/dbraw/zinc/02/89/67/950028967.db2.gz NHOUNUITLLBCDJ-WDEREUQCSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575891756 950028989 /nfs/dbraw/zinc/02/89/89/950028989.db2.gz NHOUNUITLLBCDJ-WDEREUQCSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1ccc(F)cn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574730305 950029366 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NQPZYVNLWRUOIE-WDEREUQCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001574975608 950036096 /nfs/dbraw/zinc/03/60/96/950036096.db2.gz XPAIUKIMKIBPKP-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001574975608 950036116 /nfs/dbraw/zinc/03/61/16/950036116.db2.gz XPAIUKIMKIBPKP-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCCC(=O)N(C)C ZINC001574975627 950036426 /nfs/dbraw/zinc/03/64/26/950036426.db2.gz XUYMZBCBLSJSTP-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCCC(=O)N(C)C ZINC001574975627 950036448 /nfs/dbraw/zinc/03/64/48/950036448.db2.gz XUYMZBCBLSJSTP-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574150634 950037200 /nfs/dbraw/zinc/03/72/00/950037200.db2.gz CUOMZJJIZRJDGB-NSHDSACASA-N -1 3 385.432 0.503 20 0 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C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CCC2)CCC(=O)NC1 ZINC001575575083 950042997 /nfs/dbraw/zinc/04/29/97/950042997.db2.gz DNJFWVVTFZUIRU-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CCC2)CCC(=O)NC1 ZINC001575575083 950043020 /nfs/dbraw/zinc/04/30/20/950043020.db2.gz DNJFWVVTFZUIRU-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575891950 950044512 /nfs/dbraw/zinc/04/45/12/950044512.db2.gz PRNHIPRFUTZMSI-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575891950 950044535 /nfs/dbraw/zinc/04/45/35/950044535.db2.gz PRNHIPRFUTZMSI-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCC1CCOCC1 ZINC001574975969 950053434 /nfs/dbraw/zinc/05/34/34/950053434.db2.gz LPXVOFBERRTJFN-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCC1CCOCC1 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GCADHM CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573836441 950085132 /nfs/dbraw/zinc/08/51/32/950085132.db2.gz LAZYFEJDFGLTLC-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573836441 950085153 /nfs/dbraw/zinc/08/51/53/950085153.db2.gz LAZYFEJDFGLTLC-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1csnn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151561 950085495 /nfs/dbraw/zinc/08/54/95/950085495.db2.gz VBOFIZKRXYXYNJ-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1csnn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151561 950085513 /nfs/dbraw/zinc/08/55/13/950085513.db2.gz VBOFIZKRXYXYNJ-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCc1ccncc1 ZINC001574976595 950085805 /nfs/dbraw/zinc/08/58/05/950085805.db2.gz VXITUHDLACVWIQ-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCc1ccncc1 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/nfs/dbraw/zinc/08/83/54/950088354.db2.gz BKPVIGBINTUQQN-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151842 950091985 /nfs/dbraw/zinc/09/19/85/950091985.db2.gz ZFYQAVQIIJWABG-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151842 950092004 /nfs/dbraw/zinc/09/20/04/950092004.db2.gz ZFYQAVQIIJWABG-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574492685 950098278 /nfs/dbraw/zinc/09/82/78/950098278.db2.gz OMYUWLDECDDXGI-RYUDHWBXSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574492685 950098302 /nfs/dbraw/zinc/09/83/02/950098302.db2.gz OMYUWLDECDDXGI-RYUDHWBXSA-N -1 3 387.448 0.184 20 0 GCADHM CC1(C(=O)NCC2(O)CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCOCC1 ZINC001575582082 950099036 /nfs/dbraw/zinc/09/90/36/950099036.db2.gz DNZBGCZILFXAGM-UHFFFAOYSA-N -1 3 392.485 0.408 20 0 GCADHM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574492704 950099695 /nfs/dbraw/zinc/09/96/95/950099695.db2.gz ORZMKNBFSDHYKR-PXAZEXFGSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574492704 950099724 /nfs/dbraw/zinc/09/97/24/950099724.db2.gz ORZMKNBFSDHYKR-PXAZEXFGSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576183734 950100831 /nfs/dbraw/zinc/10/08/31/950100831.db2.gz UDFVLFSQSYOGDI-SMDDNHRTSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576183734 950100844 /nfs/dbraw/zinc/10/08/44/950100844.db2.gz UDFVLFSQSYOGDI-SMDDNHRTSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574733212 950101605 /nfs/dbraw/zinc/10/16/05/950101605.db2.gz VTUMOBUBZIHMSI-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574733212 950101615 /nfs/dbraw/zinc/10/16/15/950101615.db2.gz VTUMOBUBZIHMSI-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573837311 950101900 /nfs/dbraw/zinc/10/19/00/950101900.db2.gz WPOJPDCNVMLCIY-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573837311 950101913 /nfs/dbraw/zinc/10/19/13/950101913.db2.gz WPOJPDCNVMLCIY-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575894412 950101993 /nfs/dbraw/zinc/10/19/93/950101993.db2.gz DOQDPIXCXYQITE-YGRLFVJLSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575894412 950102000 /nfs/dbraw/zinc/10/20/00/950102000.db2.gz DOQDPIXCXYQITE-YGRLFVJLSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574976832 950102131 /nfs/dbraw/zinc/10/21/31/950102131.db2.gz BXCBCFKABWBPTQ-LURJTMIESA-N -1 3 379.331 0.404 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574976832 950102145 /nfs/dbraw/zinc/10/21/45/950102145.db2.gz BXCBCFKABWBPTQ-LURJTMIESA-N -1 3 379.331 0.404 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574976788 950102183 /nfs/dbraw/zinc/10/21/83/950102183.db2.gz ATLWXOVEFNLKBC-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574976788 950102195 /nfs/dbraw/zinc/10/21/95/950102195.db2.gz ATLWXOVEFNLKBC-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@]1(C(=O)NCC2=CCN(c3ncccc3-c3nnn[n-]3)CC2)CCNC1=O ZINC001575582127 950103388 /nfs/dbraw/zinc/10/33/88/950103388.db2.gz FXEWPUVNHLZJSW-GOSISDBHSA-N -1 3 382.428 0.041 20 0 GCADHM C[C@@]1(C(=O)NCC2=CCN(c3ncccc3-c3nn[n-]n3)CC2)CCNC1=O ZINC001575582127 950103400 /nfs/dbraw/zinc/10/34/00/950103400.db2.gz FXEWPUVNHLZJSW-GOSISDBHSA-N -1 3 382.428 0.041 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574733308 950104873 /nfs/dbraw/zinc/10/48/73/950104873.db2.gz YFYFIMTZHJSMIN-LLVKDONJSA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574733308 950104888 /nfs/dbraw/zinc/10/48/88/950104888.db2.gz YFYFIMTZHJSMIN-LLVKDONJSA-N -1 3 385.436 0.331 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575894643 950105533 /nfs/dbraw/zinc/10/55/33/950105533.db2.gz FNQORAVDULBLQT-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575894643 950105542 /nfs/dbraw/zinc/10/55/42/950105542.db2.gz FNQORAVDULBLQT-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574733249 950105686 /nfs/dbraw/zinc/10/56/86/950105686.db2.gz WWVZOFNRTHSYRF-SKDRFNHKSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574733249 950105696 /nfs/dbraw/zinc/10/56/96/950105696.db2.gz WWVZOFNRTHSYRF-SKDRFNHKSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576183861 950105888 /nfs/dbraw/zinc/10/58/88/950105888.db2.gz RRXGAAJJSZUTCM-VXGBXAGGSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576183861 950105899 /nfs/dbraw/zinc/10/58/99/950105899.db2.gz RRXGAAJJSZUTCM-VXGBXAGGSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574977069 950109805 /nfs/dbraw/zinc/10/98/05/950109805.db2.gz GNDCGVODFWAVLH-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574977069 950109820 /nfs/dbraw/zinc/10/98/20/950109820.db2.gz GNDCGVODFWAVLH-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1ccnc1 ZINC001574493036 950111530 /nfs/dbraw/zinc/11/15/30/950111530.db2.gz QUSVWLPHLGQQEN-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1ccnc1 ZINC001574493036 950111537 /nfs/dbraw/zinc/11/15/37/950111537.db2.gz QUSVWLPHLGQQEN-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC001574977091 950113625 /nfs/dbraw/zinc/11/36/25/950113625.db2.gz GVFAXLBOMWQMHC-OTYXRUKQSA-N -1 3 386.391 0.268 20 0 GCADHM C[C@H](CC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574492981 950113903 /nfs/dbraw/zinc/11/39/03/950113903.db2.gz PZNCNCRSDCFABS-VOMCLLRMSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@H](CC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574492981 950113916 /nfs/dbraw/zinc/11/39/16/950113916.db2.gz PZNCNCRSDCFABS-VOMCLLRMSA-N -1 3 387.448 0.548 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CN1CCOCC1 ZINC001574152732 950116056 /nfs/dbraw/zinc/11/60/56/950116056.db2.gz IVXDTDOEQVNXPQ-OAHLLOKOSA-N -1 3 388.476 0.537 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CN1CCOCC1 ZINC001574152732 950116067 /nfs/dbraw/zinc/11/60/67/950116067.db2.gz IVXDTDOEQVNXPQ-OAHLLOKOSA-N -1 3 388.476 0.537 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncc(F)cc1F ZINC001574977522 950117750 /nfs/dbraw/zinc/11/77/50/950117750.db2.gz KWMRHURUTUWEKQ-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncc(F)cc1F ZINC001574977522 950117766 /nfs/dbraw/zinc/11/77/66/950117766.db2.gz KWMRHURUTUWEKQ-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CN1CCOCC1 ZINC001574152731 950118370 /nfs/dbraw/zinc/11/83/70/950118370.db2.gz IVXDTDOEQVNXPQ-HNNXBMFYSA-N -1 3 388.476 0.537 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CN1CCOCC1 ZINC001574152731 950118380 /nfs/dbraw/zinc/11/83/80/950118380.db2.gz IVXDTDOEQVNXPQ-HNNXBMFYSA-N -1 3 388.476 0.537 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cccc(N(C)C)c1 ZINC001574977288 950118343 /nfs/dbraw/zinc/11/83/43/950118343.db2.gz JOXSBYNYUKEUBM-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cccc(N(C)C)c1 ZINC001574977288 950118352 /nfs/dbraw/zinc/11/83/52/950118352.db2.gz JOXSBYNYUKEUBM-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574493186 950119058 /nfs/dbraw/zinc/11/90/58/950119058.db2.gz FHQNDTVGCMOOEQ-PWSUYJOCSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574493186 950119070 /nfs/dbraw/zinc/11/90/70/950119070.db2.gz FHQNDTVGCMOOEQ-PWSUYJOCSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cn(C)nc1Cl ZINC001574977538 950121833 /nfs/dbraw/zinc/12/18/33/950121833.db2.gz KXSIASBZDNUZDH-MRVPVSSYSA-N -1 3 391.823 0.059 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cn(C)nc1Cl ZINC001574977538 950121848 /nfs/dbraw/zinc/12/18/48/950121848.db2.gz KXSIASBZDNUZDH-MRVPVSSYSA-N -1 3 391.823 0.059 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574977546 950122177 /nfs/dbraw/zinc/12/21/77/950122177.db2.gz KZLCYFWUNXWCRU-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574977546 950122205 /nfs/dbraw/zinc/12/22/05/950122205.db2.gz KZLCYFWUNXWCRU-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnns2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896152 950123791 /nfs/dbraw/zinc/12/37/91/950123791.db2.gz KQKBJTCFCHKKOM-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnns2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896152 950123806 /nfs/dbraw/zinc/12/38/06/950123806.db2.gz KQKBJTCFCHKKOM-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575582719 950125650 /nfs/dbraw/zinc/12/56/50/950125650.db2.gz MFWZKYKEYRCXNP-QZTJIDSGSA-N -1 3 387.444 0.136 20 0 GCADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575582719 950125659 /nfs/dbraw/zinc/12/56/59/950125659.db2.gz MFWZKYKEYRCXNP-QZTJIDSGSA-N -1 3 387.444 0.136 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncnc2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575896286 950125780 /nfs/dbraw/zinc/12/57/80/950125780.db2.gz LSTRUSDQWHFIAB-QMTHXVAHSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncnc2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575896286 950125792 /nfs/dbraw/zinc/12/57/92/950125792.db2.gz LSTRUSDQWHFIAB-QMTHXVAHSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@]1(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575582708 950125928 /nfs/dbraw/zinc/12/59/28/950125928.db2.gz FZCDTIYYJDPLGO-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575582708 950125941 /nfs/dbraw/zinc/12/59/41/950125941.db2.gz FZCDTIYYJDPLGO-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncnc2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575896284 950126506 /nfs/dbraw/zinc/12/65/06/950126506.db2.gz LSTRUSDQWHFIAB-IINYFYTJSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncnc2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575896284 950126515 /nfs/dbraw/zinc/12/65/15/950126515.db2.gz LSTRUSDQWHFIAB-IINYFYTJSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575896288 950126616 /nfs/dbraw/zinc/12/66/16/950126616.db2.gz LWKVKIVKXOZPLV-BXKDBHETSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575896288 950126625 /nfs/dbraw/zinc/12/66/25/950126625.db2.gz LWKVKIVKXOZPLV-BXKDBHETSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001574493394 950128416 /nfs/dbraw/zinc/12/84/16/950128416.db2.gz GHJWNKBDAYXUCU-APPZFPTMSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001574493394 950128426 /nfs/dbraw/zinc/12/84/26/950128426.db2.gz GHJWNKBDAYXUCU-APPZFPTMSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576184428 950128974 /nfs/dbraw/zinc/12/89/74/950128974.db2.gz WJAWXOPDXQBDLA-FZMZJTMJSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576184428 950128988 /nfs/dbraw/zinc/12/89/88/950128988.db2.gz WJAWXOPDXQBDLA-FZMZJTMJSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896422 950130275 /nfs/dbraw/zinc/13/02/75/950130275.db2.gz MGKKWQVUJYNYNG-GXFFZTMASA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896422 950130290 /nfs/dbraw/zinc/13/02/90/950130290.db2.gz MGKKWQVUJYNYNG-GXFFZTMASA-N -1 3 383.416 0.351 20 0 GCADHM 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950133253 /nfs/dbraw/zinc/13/32/53/950133253.db2.gz MSJVOZBZPCMJKH-MSOLQXFVSA-N -1 3 387.444 0.136 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)c1nccnc1N ZINC001574153236 950134270 /nfs/dbraw/zinc/13/42/70/950134270.db2.gz PSCCRAFRKFOQLI-GFCCVEGCSA-N -1 3 382.432 0.891 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)c1nccnc1N ZINC001574153236 950134282 /nfs/dbraw/zinc/13/42/82/950134282.db2.gz PSCCRAFRKFOQLI-GFCCVEGCSA-N -1 3 382.432 0.891 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574153209 950135557 /nfs/dbraw/zinc/13/55/57/950135557.db2.gz PHASYPWFMREHQO-JSGCOSHPSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574153209 950135570 /nfs/dbraw/zinc/13/55/70/950135570.db2.gz PHASYPWFMREHQO-JSGCOSHPSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574493581 950137975 /nfs/dbraw/zinc/13/79/75/950137975.db2.gz 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CC1(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575583121 950139163 /nfs/dbraw/zinc/13/91/63/950139163.db2.gz OOTCZADCRPTIDM-GOSISDBHSA-N -1 3 387.444 0.136 20 0 GCADHM CC1(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575583121 950139172 /nfs/dbraw/zinc/13/91/72/950139172.db2.gz OOTCZADCRPTIDM-GOSISDBHSA-N -1 3 387.444 0.136 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc2n[nH]cc2c1 ZINC001574978414 950139205 /nfs/dbraw/zinc/13/92/05/950139205.db2.gz SYNXVFBJMAOSLZ-MRVPVSSYSA-N -1 3 380.372 0.014 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc2n[nH]cc2c1 ZINC001574978414 950139217 /nfs/dbraw/zinc/13/92/17/950139217.db2.gz SYNXVFBJMAOSLZ-MRVPVSSYSA-N -1 3 380.372 0.014 20 0 GCADHM CC1(C(=O)NCC2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCC1 ZINC001575583131 950139860 /nfs/dbraw/zinc/13/98/60/950139860.db2.gz OVDJIORMAYAKLB-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NCC2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCC1 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MQWVUEKGPSXKQF-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574494128 950148990 /nfs/dbraw/zinc/14/89/90/950148990.db2.gz WYQSNJOBONRCEI-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574494128 950149007 /nfs/dbraw/zinc/14/90/07/950149007.db2.gz WYQSNJOBONRCEI-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574979219 950150527 /nfs/dbraw/zinc/15/05/27/950150527.db2.gz XPGZJPKFPJXLLM-SNVBAGLBSA-N -1 3 383.416 0.350 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(CC2CC2)c1 ZINC001574979219 950150547 /nfs/dbraw/zinc/15/05/47/950150547.db2.gz XPGZJPKFPJXLLM-SNVBAGLBSA-N -1 3 383.416 0.350 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734918 950150819 /nfs/dbraw/zinc/15/08/19/950150819.db2.gz VBBMMIPDQPFDAY-QJPTWQEYSA-N -1 3 382.432 0.453 20 0 GCADHM C[C@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C=CCC1 ZINC001575583597 950150913 /nfs/dbraw/zinc/15/09/13/950150913.db2.gz STMXZJXAOWLOKJ-ROUUACIJSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C=CCC1 ZINC001575583597 950150925 /nfs/dbraw/zinc/15/09/25/950150925.db2.gz STMXZJXAOWLOKJ-ROUUACIJSA-N -1 3 385.428 0.244 20 0 GCADHM CC(C)(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573842589 950152551 /nfs/dbraw/zinc/15/25/51/950152551.db2.gz IDBHFLRXWHDZGB-CHWSQXEVSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573842589 950152564 /nfs/dbraw/zinc/15/25/64/950152564.db2.gz IDBHFLRXWHDZGB-CHWSQXEVSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@H]1CCNC1=O ZINC001574153889 950152624 /nfs/dbraw/zinc/15/26/24/950152624.db2.gz XIRVVEYVPFZJEA-TZMCWYRMSA-N -1 3 386.460 0.731 20 0 GCADHM 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ZINC001573842824 950158088 /nfs/dbraw/zinc/15/80/88/950158088.db2.gz LKASPYVRLAOUBR-CYBMUJFWSA-N -1 3 380.474 0.966 20 0 GCADHM CC(C)(C)CC[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001573842824 950158115 /nfs/dbraw/zinc/15/81/15/950158115.db2.gz LKASPYVRLAOUBR-CYBMUJFWSA-N -1 3 380.474 0.966 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1COCCO1 ZINC001574154036 950160052 /nfs/dbraw/zinc/16/00/52/950160052.db2.gz ZUQCNIWMMOHFRL-UONOGXRCSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1COCCO1 ZINC001574154036 950160063 /nfs/dbraw/zinc/16/00/63/950160063.db2.gz ZUQCNIWMMOHFRL-UONOGXRCSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)COCC1CC1)C1CC1 ZINC001574982291 950160225 /nfs/dbraw/zinc/16/02/25/950160225.db2.gz AONRITIUSMJJDN-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)COCC1CC1)C1CC1 ZINC001574982291 950160240 /nfs/dbraw/zinc/16/02/40/950160240.db2.gz AONRITIUSMJJDN-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccncc2F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575898820 950161855 /nfs/dbraw/zinc/16/18/55/950161855.db2.gz UZMFBNQAAOOIBO-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccncc2F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575898820 950161863 /nfs/dbraw/zinc/16/18/63/950161863.db2.gz UZMFBNQAAOOIBO-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001574154026 950162577 /nfs/dbraw/zinc/16/25/77/950162577.db2.gz ZRDRCKCLUXCBKC-OCCSQVGLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001574154026 950162596 /nfs/dbraw/zinc/16/25/96/950162596.db2.gz ZRDRCKCLUXCBKC-OCCSQVGLSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2c([nH]1)CCC2 ZINC001574738048 950163311 /nfs/dbraw/zinc/16/33/11/950163311.db2.gz BJIQXMVJOYEYRH-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2c([nH]1)CCC2 ZINC001574738048 950163321 /nfs/dbraw/zinc/16/33/21/950163321.db2.gz BJIQXMVJOYEYRH-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cc(C2CC2)no1 ZINC001574982452 950166846 /nfs/dbraw/zinc/16/68/46/950166846.db2.gz CRSLQIKCSQGIQM-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cc(C2CC2)no1 ZINC001574982452 950166856 /nfs/dbraw/zinc/16/68/56/950166856.db2.gz CRSLQIKCSQGIQM-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H](C)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[nH]n1 ZINC001574738213 950166812 /nfs/dbraw/zinc/16/68/12/950166812.db2.gz COZNDIIWRCRICR-SNVBAGLBSA-N -1 3 385.432 0.932 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[nH]n1 ZINC001574738213 950166824 /nfs/dbraw/zinc/16/68/24/950166824.db2.gz COZNDIIWRCRICR-SNVBAGLBSA-N -1 3 385.432 0.932 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)CC(C)(C)O ZINC001576190661 950167097 /nfs/dbraw/zinc/16/70/97/950167097.db2.gz CNXDTAPASSOIKU-WCQYABFASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)CC(C)(C)O ZINC001576190661 950167106 /nfs/dbraw/zinc/16/71/06/950167106.db2.gz CNXDTAPASSOIKU-WCQYABFASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C)NC(N)=O ZINC001574494515 950168409 /nfs/dbraw/zinc/16/84/09/950168409.db2.gz KMABOPZOLVZOTG-GWCFXTLKSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C)NC(N)=O ZINC001574494515 950168420 /nfs/dbraw/zinc/16/84/20/950168420.db2.gz KMABOPZOLVZOTG-GWCFXTLKSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899508 950169137 /nfs/dbraw/zinc/16/91/37/950169137.db2.gz WZWKMADVVDVWFP-MNOVXSKESA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899508 950169147 /nfs/dbraw/zinc/16/91/47/950169147.db2.gz WZWKMADVVDVWFP-MNOVXSKESA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574154370 950169769 /nfs/dbraw/zinc/16/97/69/950169769.db2.gz DQTOTNWCGHGQBP-DZGCQCFKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574154370 950169789 /nfs/dbraw/zinc/16/97/89/950169789.db2.gz DQTOTNWCGHGQBP-DZGCQCFKSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001574982507 950171093 /nfs/dbraw/zinc/17/10/93/950171093.db2.gz DOGAIBPBYULWIN-SECBINFHSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001574982507 950171105 /nfs/dbraw/zinc/17/11/05/950171105.db2.gz DOGAIBPBYULWIN-SECBINFHSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576190817 950171511 /nfs/dbraw/zinc/17/15/11/950171511.db2.gz CAHMSWPYEWZISE-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576190817 950171515 /nfs/dbraw/zinc/17/15/15/950171515.db2.gz CAHMSWPYEWZISE-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574982525 950171939 /nfs/dbraw/zinc/17/19/39/950171939.db2.gz DYDJYKJNAFLNQP-KVMADOOQSA-N -1 3 385.428 0.100 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574982525 950171949 /nfs/dbraw/zinc/17/19/49/950171949.db2.gz DYDJYKJNAFLNQP-KVMADOOQSA-N -1 3 385.428 0.100 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncnc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899704 950173519 /nfs/dbraw/zinc/17/35/19/950173519.db2.gz YDPJMRQYXQAJQJ-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncnc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899704 950173530 /nfs/dbraw/zinc/17/35/30/950173530.db2.gz YDPJMRQYXQAJQJ-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccncc2F)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575899718 950174061 /nfs/dbraw/zinc/17/40/61/950174061.db2.gz YGSWEXLELFGMIE-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccncc2F)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899718 950174070 /nfs/dbraw/zinc/17/40/70/950174070.db2.gz YGSWEXLELFGMIE-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575899719 950174569 /nfs/dbraw/zinc/17/45/69/950174569.db2.gz YGSWEXLELFGMIE-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899719 950174580 /nfs/dbraw/zinc/17/45/80/950174580.db2.gz YGSWEXLELFGMIE-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573843377 950174999 /nfs/dbraw/zinc/17/49/99/950174999.db2.gz WGEGGPNPRIUJSH-CHWSQXEVSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573843377 950175013 /nfs/dbraw/zinc/17/50/13/950175013.db2.gz WGEGGPNPRIUJSH-CHWSQXEVSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncnc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899706 950175041 /nfs/dbraw/zinc/17/50/41/950175041.db2.gz YDPJMRQYXQAJQJ-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncnc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899706 950175051 /nfs/dbraw/zinc/17/50/51/950175051.db2.gz YDPJMRQYXQAJQJ-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM CC1CCN(CC(=O)N(C)[C@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576190843 950175513 /nfs/dbraw/zinc/17/55/13/950175513.db2.gz CDMDIOFIDOQKLX-AWEZNQCLSA-N -1 3 385.476 0.426 20 0 GCADHM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574494708 950177782 /nfs/dbraw/zinc/17/77/82/950177782.db2.gz NCXPVWGSIPFPGC-WDEREUQCSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1ccnc1 ZINC001574494694 950178214 /nfs/dbraw/zinc/17/82/14/950178214.db2.gz MSJQWZZDCLNOSJ-DGCLKSJQSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1ccnc1 ZINC001574494694 950178227 /nfs/dbraw/zinc/17/82/27/950178227.db2.gz MSJQWZZDCLNOSJ-DGCLKSJQSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnco2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576191041 950179625 /nfs/dbraw/zinc/17/96/25/950179625.db2.gz DBJZABAERVUIOP-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnco2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576191041 950179643 /nfs/dbraw/zinc/17/96/43/950179643.db2.gz DBJZABAERVUIOP-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1cccc1 ZINC001574494715 950180492 /nfs/dbraw/zinc/18/04/92/950180492.db2.gz NEOCGRNEQOGDEJ-WCQYABFASA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1cccc1 ZINC001574494715 950180504 /nfs/dbraw/zinc/18/05/04/950180504.db2.gz NEOCGRNEQOGDEJ-WCQYABFASA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575899822 950182328 /nfs/dbraw/zinc/18/23/28/950182328.db2.gz ZTWZDJLCHDUSJO-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575899822 950182342 /nfs/dbraw/zinc/18/23/42/950182342.db2.gz ZTWZDJLCHDUSJO-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc(C2CC2)o1 ZINC001574739063 950183938 /nfs/dbraw/zinc/18/39/38/950183938.db2.gz KXMMWQVBKUWSEA-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc(C2CC2)o1 ZINC001574739063 950183953 /nfs/dbraw/zinc/18/39/53/950183953.db2.gz KXMMWQVBKUWSEA-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnco2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576191042 950185754 /nfs/dbraw/zinc/18/57/54/950185754.db2.gz DBJZABAERVUIOP-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnco2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576191042 950185764 /nfs/dbraw/zinc/18/57/64/950185764.db2.gz DBJZABAERVUIOP-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ncccn2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575900054 950186294 /nfs/dbraw/zinc/18/62/94/950186294.db2.gz BMMSWOZDVUJYGA-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ncccn2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575900054 950186303 /nfs/dbraw/zinc/18/63/03/950186303.db2.gz BMMSWOZDVUJYGA-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCC3(CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)O2)CC1 ZINC001575585038 950186543 /nfs/dbraw/zinc/18/65/43/950186543.db2.gz WBEKCVQUVIHHBJ-NSHDSACASA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCC3(CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)O2)CC1 ZINC001575585038 950186554 /nfs/dbraw/zinc/18/65/54/950186554.db2.gz WBEKCVQUVIHHBJ-NSHDSACASA-N -1 3 385.428 0.485 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ccns1)C1CC1 ZINC001574982837 950189112 /nfs/dbraw/zinc/18/91/12/950189112.db2.gz HBBUWXXKMXTVIB-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ccns1)C1CC1 ZINC001574982837 950189122 /nfs/dbraw/zinc/18/91/22/950189122.db2.gz HBBUWXXKMXTVIB-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574494959 950192775 /nfs/dbraw/zinc/19/27/75/950192775.db2.gz QPFAKLRJJXXMFL-WCQYABFASA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574494959 950192783 /nfs/dbraw/zinc/19/27/83/950192783.db2.gz QPFAKLRJJXXMFL-WCQYABFASA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900285 950193577 /nfs/dbraw/zinc/19/35/77/950193577.db2.gz DFBNKLXHBAGJKX-KWQFWETISA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900285 950193588 /nfs/dbraw/zinc/19/35/88/950193588.db2.gz DFBNKLXHBAGJKX-KWQFWETISA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574494916 950193814 /nfs/dbraw/zinc/19/38/14/950193814.db2.gz QAQRAVPWWHWAMB-IUODEOHRSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574494916 950193826 /nfs/dbraw/zinc/19/38/26/950193826.db2.gz QAQRAVPWWHWAMB-IUODEOHRSA-N -1 3 382.428 0.740 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)CCCC1 ZINC001575585530 950197337 /nfs/dbraw/zinc/19/73/37/950197337.db2.gz ACDKGLXNCQXBNX-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)CCCC1 ZINC001575585530 950197347 /nfs/dbraw/zinc/19/73/47/950197347.db2.gz ACDKGLXNCQXBNX-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CC1(C)C)NC(N)=O ZINC001574495001 950197352 /nfs/dbraw/zinc/19/73/52/950197352.db2.gz RAWQCVPBMHDWLG-CMPLNLGQSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CC1(C)C)NC(N)=O ZINC001574495001 950197363 /nfs/dbraw/zinc/19/73/63/950197363.db2.gz RAWQCVPBMHDWLG-CMPLNLGQSA-N -1 3 387.448 0.040 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)CCCC1 ZINC001575585574 950197564 /nfs/dbraw/zinc/19/75/64/950197564.db2.gz AWASKODCIPWLKM-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)CCCC1 ZINC001575585574 950197575 /nfs/dbraw/zinc/19/75/75/950197575.db2.gz AWASKODCIPWLKM-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cn1cc(Cl)cn1 ZINC001574739559 950198084 /nfs/dbraw/zinc/19/80/84/950198084.db2.gz RRKWVCATALWYPY-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1cc(Cl)cn1 ZINC001574739559 950198098 /nfs/dbraw/zinc/19/80/98/950198098.db2.gz RRKWVCATALWYPY-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574495689 950205965 /nfs/dbraw/zinc/20/59/65/950205965.db2.gz UPTNWOQRPVSLBY-NOZJJQNGSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574495689 950205982 /nfs/dbraw/zinc/20/59/82/950205982.db2.gz UPTNWOQRPVSLBY-NOZJJQNGSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cccnc1)C1CC1 ZINC001574983171 950206612 /nfs/dbraw/zinc/20/66/12/950206612.db2.gz LNZYCMCRNWJQBV-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cccnc1)C1CC1 ZINC001574983171 950206633 /nfs/dbraw/zinc/20/66/33/950206633.db2.gz LNZYCMCRNWJQBV-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574739721 950207740 /nfs/dbraw/zinc/20/77/40/950207740.db2.gz WMXNYBVJQBWZQV-QMMMGPOBSA-N -1 3 389.807 0.571 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574739721 950207752 /nfs/dbraw/zinc/20/77/52/950207752.db2.gz WMXNYBVJQBWZQV-QMMMGPOBSA-N -1 3 389.807 0.571 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575585844 950209427 /nfs/dbraw/zinc/20/94/27/950209427.db2.gz DNXJWEAQMDKTKK-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575585844 950209437 /nfs/dbraw/zinc/20/94/37/950209437.db2.gz DNXJWEAQMDKTKK-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)Cn1ncnn1 ZINC001574155796 950210916 /nfs/dbraw/zinc/21/09/16/950210916.db2.gz RQTZFXKFVBJCNS-LLVKDONJSA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)Cn1ncnn1 ZINC001574155796 950210942 /nfs/dbraw/zinc/21/09/42/950210942.db2.gz RQTZFXKFVBJCNS-LLVKDONJSA-N -1 3 388.411 0.635 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1ccnc1 ZINC001574496132 950213026 /nfs/dbraw/zinc/21/30/26/950213026.db2.gz VXDSZLJMEPMSPB-JQWIXIFHSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1ccnc1 ZINC001574496132 950213045 /nfs/dbraw/zinc/21/30/45/950213045.db2.gz VXDSZLJMEPMSPB-JQWIXIFHSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574739966 950213652 /nfs/dbraw/zinc/21/36/52/950213652.db2.gz AKQADFPVKOUVFP-WCQYABFASA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574739966 950213665 /nfs/dbraw/zinc/21/36/65/950213665.db2.gz AKQADFPVKOUVFP-WCQYABFASA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ccncn1)C1CC1 ZINC001574983353 950214600 /nfs/dbraw/zinc/21/46/00/950214600.db2.gz NJVHPIYOFFWZSX-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ccncn1)C1CC1 ZINC001574983353 950214615 /nfs/dbraw/zinc/21/46/15/950214615.db2.gz NJVHPIYOFFWZSX-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001574739923 950216033 /nfs/dbraw/zinc/21/60/33/950216033.db2.gz ZHHMPOCYBCRSMG-SNVBAGLBSA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001574739923 950216055 /nfs/dbraw/zinc/21/60/55/950216055.db2.gz ZHHMPOCYBCRSMG-SNVBAGLBSA-N -1 3 386.420 0.258 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574496553 950217968 /nfs/dbraw/zinc/21/79/68/950217968.db2.gz XGRUJJAWPYMLBI-WDEREUQCSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574496553 950217983 /nfs/dbraw/zinc/21/79/83/950217983.db2.gz XGRUJJAWPYMLBI-WDEREUQCSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574739981 950219199 /nfs/dbraw/zinc/21/91/99/950219199.db2.gz AORNZHIWCMXLDP-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574739981 950219220 /nfs/dbraw/zinc/21/92/20/950219220.db2.gz AORNZHIWCMXLDP-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574740017 950220455 /nfs/dbraw/zinc/22/04/55/950220455.db2.gz AYCVBYLKMGEGDV-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574740017 950220481 /nfs/dbraw/zinc/22/04/81/950220481.db2.gz AYCVBYLKMGEGDV-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575586800 950221538 /nfs/dbraw/zinc/22/15/38/950221538.db2.gz KBPFAFZIUGFRJI-ACJLOTCBSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)CCC(=O)NC1 ZINC001575586800 950221557 /nfs/dbraw/zinc/22/15/57/950221557.db2.gz KBPFAFZIUGFRJI-ACJLOTCBSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575586802 950223566 /nfs/dbraw/zinc/22/35/66/950223566.db2.gz KBPFAFZIUGFRJI-FZKQIMNGSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)CCC(=O)NC1 ZINC001575586802 950223584 /nfs/dbraw/zinc/22/35/84/950223584.db2.gz KBPFAFZIUGFRJI-FZKQIMNGSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574497299 950225886 /nfs/dbraw/zinc/22/58/86/950225886.db2.gz ZCRBPQRVPJDMDP-YPMHNXCESA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574497299 950225903 /nfs/dbraw/zinc/22/59/03/950225903.db2.gz ZCRBPQRVPJDMDP-YPMHNXCESA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ncccc2F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575901244 950227041 /nfs/dbraw/zinc/22/70/41/950227041.db2.gz MPRTUWQTQBUGAQ-JOYOIKCWSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ncccc2F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901244 950227057 /nfs/dbraw/zinc/22/70/57/950227057.db2.gz MPRTUWQTQBUGAQ-JOYOIKCWSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@]1(C(=O)NCC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575587206 950228386 /nfs/dbraw/zinc/22/83/86/950228386.db2.gz MCLUAHXNOUEJAQ-SFHVURJKSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NCC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575587206 950228405 /nfs/dbraw/zinc/22/84/05/950228405.db2.gz MCLUAHXNOUEJAQ-SFHVURJKSA-N -1 3 387.444 0.590 20 0 GCADHM CC(C)C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574156161 950228652 /nfs/dbraw/zinc/22/86/52/950228652.db2.gz XWTOTJDKINJWLX-ZWNOBZJWSA-N -1 3 390.423 0.630 20 0 GCADHM CC(C)C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574156161 950228662 /nfs/dbraw/zinc/22/86/62/950228662.db2.gz XWTOTJDKINJWLX-ZWNOBZJWSA-N -1 3 390.423 0.630 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575586871 950229440 /nfs/dbraw/zinc/22/94/40/950229440.db2.gz KZPYBXNUQQIFJP-KZULUSFZSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575586871 950229460 /nfs/dbraw/zinc/22/94/60/950229460.db2.gz KZPYBXNUQQIFJP-KZULUSFZSA-N -1 3 384.444 0.121 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574983576 950230424 /nfs/dbraw/zinc/23/04/24/950230424.db2.gz PUXLHYRWNUDQBA-SNVBAGLBSA-N -1 3 385.432 0.837 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983576 950230444 /nfs/dbraw/zinc/23/04/44/950230444.db2.gz PUXLHYRWNUDQBA-SNVBAGLBSA-N -1 3 385.432 0.837 20 0 GCADHM C[C@@H](CC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccncc1 ZINC001574497349 950232675 /nfs/dbraw/zinc/23/26/75/950232675.db2.gz ZNJIZPWGRMSAKG-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](CC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccncc1 ZINC001574497349 950232690 /nfs/dbraw/zinc/23/26/90/950232690.db2.gz ZNJIZPWGRMSAKG-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575587661 950232934 /nfs/dbraw/zinc/23/29/34/950232934.db2.gz NLDXPSQBWZCZGC-XIKOKIGWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575587661 950232955 /nfs/dbraw/zinc/23/29/55/950232955.db2.gz NLDXPSQBWZCZGC-XIKOKIGWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@H]1CCCOC1 ZINC001574740781 950233770 /nfs/dbraw/zinc/23/37/70/950233770.db2.gz GJMLMVSIANWTDB-QWHCGFSZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@H]1CCCOC1 ZINC001574740781 950233786 /nfs/dbraw/zinc/23/37/86/950233786.db2.gz GJMLMVSIANWTDB-QWHCGFSZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)c1ccn[nH]1 ZINC001576192193 950234550 /nfs/dbraw/zinc/23/45/50/950234550.db2.gz MJRKYZQUQMQUKN-WDEREUQCSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574740770 950234985 /nfs/dbraw/zinc/23/49/85/950234985.db2.gz GGYCRGOGJDPUKQ-SNVBAGLBSA-N -1 3 384.400 0.115 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574740770 950235001 /nfs/dbraw/zinc/23/50/01/950235001.db2.gz GGYCRGOGJDPUKQ-SNVBAGLBSA-N -1 3 384.400 0.115 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575587269 950237022 /nfs/dbraw/zinc/23/70/22/950237022.db2.gz NAIFWSWDOJCKEM-XIKOKIGWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575587269 950237041 /nfs/dbraw/zinc/23/70/41/950237041.db2.gz NAIFWSWDOJCKEM-XIKOKIGWSA-N -1 3 384.444 0.121 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573845743 950237940 /nfs/dbraw/zinc/23/79/40/950237940.db2.gz KKFASLMHILBVTA-CYZMBNFOSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573845743 950237956 /nfs/dbraw/zinc/23/79/56/950237956.db2.gz KKFASLMHILBVTA-CYZMBNFOSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575587894 950242087 /nfs/dbraw/zinc/24/20/87/950242087.db2.gz OXQGMFVLOCAEDM-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575587894 950242114 /nfs/dbraw/zinc/24/21/14/950242114.db2.gz OXQGMFVLOCAEDM-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NCC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOC1 ZINC001575588049 950243695 /nfs/dbraw/zinc/24/36/95/950243695.db2.gz PNGMGTULJPCMEP-SFHVURJKSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NCC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOC1 ZINC001575588049 950243715 /nfs/dbraw/zinc/24/37/15/950243715.db2.gz PNGMGTULJPCMEP-SFHVURJKSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001575588677 950252542 /nfs/dbraw/zinc/25/25/42/950252542.db2.gz QZGSIPRKUVIAAF-GFCCVEGCSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001575588677 950252562 /nfs/dbraw/zinc/25/25/62/950252562.db2.gz QZGSIPRKUVIAAF-GFCCVEGCSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575902231 950252459 /nfs/dbraw/zinc/25/24/59/950252459.db2.gz TWFUDIIMYBSOTF-IUCAKERBSA-N -1 3 387.429 0.606 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575902232 950252508 /nfs/dbraw/zinc/25/25/08/950252508.db2.gz TWFUDIIMYBSOTF-RKDXNWHRSA-N -1 3 387.429 0.606 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574983958 950253753 /nfs/dbraw/zinc/25/37/53/950253753.db2.gz UAHUDUBLQFRGEW-QMMMGPOBSA-N -1 3 389.807 0.253 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574983958 950253769 /nfs/dbraw/zinc/25/37/69/950253769.db2.gz UAHUDUBLQFRGEW-QMMMGPOBSA-N -1 3 389.807 0.253 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573847005 950255901 /nfs/dbraw/zinc/25/59/01/950255901.db2.gz XFRIZPVUAGKLDW-QJPTWQEYSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573847005 950255909 /nfs/dbraw/zinc/25/59/09/950255909.db2.gz XFRIZPVUAGKLDW-QJPTWQEYSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574741774 950256069 /nfs/dbraw/zinc/25/60/69/950256069.db2.gz CKIWYCHUVTWWCU-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574741774 950256083 /nfs/dbraw/zinc/25/60/83/950256083.db2.gz CKIWYCHUVTWWCU-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cnns1)C1CC1 ZINC001574984077 950256870 /nfs/dbraw/zinc/25/68/70/950256870.db2.gz WGRMSMDCFCIERV-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cnns1)C1CC1 ZINC001574984077 950256889 /nfs/dbraw/zinc/25/68/89/950256889.db2.gz WGRMSMDCFCIERV-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](CNC(=O)c1csc(=O)[nH]1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574984087 950258480 /nfs/dbraw/zinc/25/84/80/950258480.db2.gz WIMDDWIVMKZINX-SSDOTTSWSA-N -1 3 376.402 0.153 20 0 GCADHM C[C@@H](CNC(=O)c1csc(=O)[nH]1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574984087 950258499 /nfs/dbraw/zinc/25/84/99/950258499.db2.gz WIMDDWIVMKZINX-SSDOTTSWSA-N -1 3 376.402 0.153 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC(F)(F)C1 ZINC001575589194 950261829 /nfs/dbraw/zinc/26/18/29/950261829.db2.gz VTXQKYJRZGTGRA-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC(F)(F)C1 ZINC001575589194 950261836 /nfs/dbraw/zinc/26/18/36/950261836.db2.gz VTXQKYJRZGTGRA-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)(C)OC(=O)COCC(=O)Nc1ncc2c(c1-c1nnn[n-]1)COCC2 ZINC001573849880 950263895 /nfs/dbraw/zinc/26/38/95/950263895.db2.gz DUWRTPNWNNOGLV-UHFFFAOYSA-N -1 3 390.400 0.631 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ncccc1F ZINC001574742052 950264632 /nfs/dbraw/zinc/26/46/32/950264632.db2.gz GUXUOFCZKXTUTP-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ncccc1F ZINC001574742052 950264648 /nfs/dbraw/zinc/26/46/48/950264648.db2.gz GUXUOFCZKXTUTP-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM CC(C)(C)OC(=O)[C@@]1(NC[C@H](O)c2cccc(-c3nnn[n-]3)c2)CCOC1 ZINC001573849847 950265474 /nfs/dbraw/zinc/26/54/74/950265474.db2.gz CXQNIKODUIZJHP-KBXCAEBGSA-N -1 3 375.429 0.991 20 0 GCADHM CC(C)(C)OC(=O)[C@@]1(NC[C@H](O)c2cccc(-c3nn[n-]n3)c2)CCOC1 ZINC001573849847 950265502 /nfs/dbraw/zinc/26/55/02/950265502.db2.gz CXQNIKODUIZJHP-KBXCAEBGSA-N -1 3 375.429 0.991 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNc1cc(Cl)c(=O)[nH]n1 ZINC001574984333 950266568 /nfs/dbraw/zinc/26/65/68/950266568.db2.gz XHPRYDDBBHPQNN-SSDOTTSWSA-N -1 3 377.796 0.822 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNc1cc(Cl)c(=O)[nH]n1 ZINC001574984333 950266590 /nfs/dbraw/zinc/26/65/90/950266590.db2.gz XHPRYDDBBHPQNN-SSDOTTSWSA-N -1 3 377.796 0.822 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C(C)(C)c1c[nH]cn1 ZINC001574742105 950266822 /nfs/dbraw/zinc/26/68/22/950266822.db2.gz LOSVKCPKMLZPQQ-SNVBAGLBSA-N -1 3 385.432 0.472 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCc1nnc(C(F)F)s1 ZINC001574984275 950267108 /nfs/dbraw/zinc/26/71/08/950267108.db2.gz XHMHJCWLQKAFGS-ZCFIWIBFSA-N -1 3 383.388 0.892 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnc(C(F)F)s1 ZINC001574984275 950267131 /nfs/dbraw/zinc/26/71/31/950267131.db2.gz XHMHJCWLQKAFGS-ZCFIWIBFSA-N -1 3 383.388 0.892 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574742229 950273280 /nfs/dbraw/zinc/27/32/80/950273280.db2.gz IXGWVKNDESTAAJ-SNVBAGLBSA-N -1 3 384.400 0.115 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574742229 950273300 /nfs/dbraw/zinc/27/33/00/950273300.db2.gz IXGWVKNDESTAAJ-SNVBAGLBSA-N -1 3 384.400 0.115 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575589938 950273727 /nfs/dbraw/zinc/27/37/27/950273727.db2.gz ZDDRLIAPLVVHIO-GFCCVEGCSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575589938 950273738 /nfs/dbraw/zinc/27/37/38/950273738.db2.gz ZDDRLIAPLVVHIO-GFCCVEGCSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCn1ccnc1 ZINC001574742200 950274479 /nfs/dbraw/zinc/27/44/79/950274479.db2.gz IKBORHUASZTTDN-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCn1ccnc1 ZINC001574742200 950274500 /nfs/dbraw/zinc/27/45/00/950274500.db2.gz IKBORHUASZTTDN-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574984469 950275178 /nfs/dbraw/zinc/27/51/78/950275178.db2.gz XZOISCUSVZLPCN-ZETCQYMHSA-N -1 3 389.807 0.573 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574984469 950275197 /nfs/dbraw/zinc/27/51/97/950275197.db2.gz XZOISCUSVZLPCN-ZETCQYMHSA-N -1 3 389.807 0.573 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cccn1 ZINC001574498453 950276192 /nfs/dbraw/zinc/27/61/92/950276192.db2.gz NPNLNJLBTUAFIQ-RYUDHWBXSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cccn1 ZINC001574498453 950276205 /nfs/dbraw/zinc/27/62/05/950276205.db2.gz NPNLNJLBTUAFIQ-RYUDHWBXSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@H]1CCCO1 ZINC001574742317 950278336 /nfs/dbraw/zinc/27/83/36/950278336.db2.gz OHBMXWSDTQAFHD-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@H]1CCCO1 ZINC001574742317 950278349 /nfs/dbraw/zinc/27/83/49/950278349.db2.gz OHBMXWSDTQAFHD-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001574987209 950278894 /nfs/dbraw/zinc/27/88/94/950278894.db2.gz ALJZPBNOLHAQQR-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001574987209 950278913 /nfs/dbraw/zinc/27/89/13/950278913.db2.gz ALJZPBNOLHAQQR-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574742320 950279462 /nfs/dbraw/zinc/27/94/62/950279462.db2.gz OHDYMNRFMGNBHZ-JIMOISOXSA-N -1 3 391.407 0.298 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574742320 950279487 /nfs/dbraw/zinc/27/94/87/950279487.db2.gz OHDYMNRFMGNBHZ-JIMOISOXSA-N -1 3 391.407 0.298 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCO1 ZINC001574498657 950279296 /nfs/dbraw/zinc/27/92/96/950279296.db2.gz PDNAEDHBPAEHOR-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCO1 ZINC001574498657 950279313 /nfs/dbraw/zinc/27/93/13/950279313.db2.gz PDNAEDHBPAEHOR-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573850630 950280749 /nfs/dbraw/zinc/28/07/49/950280749.db2.gz LSIGRMJCCJHCFV-NSHDSACASA-N -1 3 375.389 0.836 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573850630 950280766 /nfs/dbraw/zinc/28/07/66/950280766.db2.gz LSIGRMJCCJHCFV-NSHDSACASA-N -1 3 375.389 0.836 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001574987212 950281134 /nfs/dbraw/zinc/28/11/34/950281134.db2.gz ALJZPBNOLHAQQR-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001574987212 950281163 /nfs/dbraw/zinc/28/11/63/950281163.db2.gz ALJZPBNOLHAQQR-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@]1(C(=O)NCCCCCCNc2ccc(-c3nnn[n-]3)cn2)CCNC1=O ZINC001575592282 950281815 /nfs/dbraw/zinc/28/18/15/950281815.db2.gz GNXYCLRUPISPJV-SFHVURJKSA-N -1 3 386.460 0.876 20 0 GCADHM C[C@@]1(C(=O)NCCCCCCNc2ccc(-c3nn[n-]n3)cn2)CCNC1=O ZINC001575592282 950281837 /nfs/dbraw/zinc/28/18/37/950281837.db2.gz GNXYCLRUPISPJV-SFHVURJKSA-N -1 3 386.460 0.876 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@H]1CCNC1=O ZINC001574158512 950282335 /nfs/dbraw/zinc/28/23/35/950282335.db2.gz BVZDBSSLMADJDF-OLZOCXBDSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@H]1CCNC1=O ZINC001574158512 950282353 /nfs/dbraw/zinc/28/23/53/950282353.db2.gz BVZDBSSLMADJDF-OLZOCXBDSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc(C2CC2)no1 ZINC001574987253 950285584 /nfs/dbraw/zinc/28/55/84/950285584.db2.gz BCZHTTUSRMBUAR-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc(C2CC2)no1 ZINC001574987253 950285598 /nfs/dbraw/zinc/28/55/98/950285598.db2.gz BCZHTTUSRMBUAR-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3-c3nnn[n-]3)CCO2)CCOC1 ZINC001575592466 950289169 /nfs/dbraw/zinc/28/91/69/950289169.db2.gz ATTQPEMOIOTTQV-DNVCBOLYSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3-c3nn[n-]n3)CCO2)CCOC1 ZINC001575592466 950289186 /nfs/dbraw/zinc/28/91/86/950289186.db2.gz ATTQPEMOIOTTQV-DNVCBOLYSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1ccncc1 ZINC001574498849 950289517 /nfs/dbraw/zinc/28/95/17/950289517.db2.gz QGEUUWIJJFSTLM-SWLSCSKDSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1ccncc1 ZINC001574498849 950289536 /nfs/dbraw/zinc/28/95/36/950289536.db2.gz QGEUUWIJJFSTLM-SWLSCSKDSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@]1(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nc2)CCCS1(=O)=O ZINC001575592513 950290343 /nfs/dbraw/zinc/29/03/43/950290343.db2.gz BIMQGTSXUMFAKQ-YPQKKHBXSA-N -1 3 391.457 0.313 20 0 GCADHM C[C@@]1(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nc2)CCCS1(=O)=O ZINC001575592513 950290359 /nfs/dbraw/zinc/29/03/59/950290359.db2.gz BIMQGTSXUMFAKQ-YPQKKHBXSA-N -1 3 391.457 0.313 20 0 GCADHM CC1(C(=O)NCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCOCC1 ZINC001575592629 950292871 /nfs/dbraw/zinc/29/28/71/950292871.db2.gz IBWGQOHDELGGGQ-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCOCC1 ZINC001575592629 950292890 /nfs/dbraw/zinc/29/28/90/950292890.db2.gz IBWGQOHDELGGGQ-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NCCN2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)CC1 ZINC001575592646 950293109 /nfs/dbraw/zinc/29/31/09/950293109.db2.gz IMCOFQQZIFDIHQ-UHFFFAOYSA-N -1 3 390.879 0.953 20 0 GCADHM CC1(C(=O)NCCN2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)CC1 ZINC001575592646 950293124 /nfs/dbraw/zinc/29/31/24/950293124.db2.gz IMCOFQQZIFDIHQ-UHFFFAOYSA-N -1 3 390.879 0.953 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCCO2)CCOC1 ZINC001575592586 950293915 /nfs/dbraw/zinc/29/39/15/950293915.db2.gz CDDOXIYXWZVFHR-KBXCAEBGSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCCO2)CCOC1 ZINC001575592586 950293938 /nfs/dbraw/zinc/29/39/38/950293938.db2.gz CDDOXIYXWZVFHR-KBXCAEBGSA-N -1 3 387.444 0.400 20 0 GCADHM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001573851404 950294860 /nfs/dbraw/zinc/29/48/60/950294860.db2.gz XREPFYGRMRQGEM-SJCJKPOMSA-N -1 3 377.401 0.109 20 0 GCADHM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001573851404 950294876 /nfs/dbraw/zinc/29/48/76/950294876.db2.gz XREPFYGRMRQGEM-SJCJKPOMSA-N -1 3 377.401 0.109 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)c1ccnn1C ZINC001574742612 950296250 /nfs/dbraw/zinc/29/62/50/950296250.db2.gz PYZAEQPBWXMXEK-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)c1ccnn1C ZINC001574742612 950296269 /nfs/dbraw/zinc/29/62/69/950296269.db2.gz PYZAEQPBWXMXEK-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCn1cccn1 ZINC001574742650 950296617 /nfs/dbraw/zinc/29/66/17/950296617.db2.gz NQAVANPICUAKNR-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCn1cccn1 ZINC001574742650 950296630 /nfs/dbraw/zinc/29/66/30/950296630.db2.gz NQAVANPICUAKNR-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cnccn1 ZINC001574987663 950297334 /nfs/dbraw/zinc/29/73/34/950297334.db2.gz GZDBONINJBGJOA-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cnccn1 ZINC001574987663 950297354 /nfs/dbraw/zinc/29/73/54/950297354.db2.gz GZDBONINJBGJOA-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@]1(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nc2)C2CC2)CCNC(=O)C1 ZINC001575592816 950297557 /nfs/dbraw/zinc/29/75/57/950297557.db2.gz KYVSQNSXPVIINX-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nc2)C2CC2)CCNC(=O)C1 ZINC001575592816 950297575 /nfs/dbraw/zinc/29/75/75/950297575.db2.gz KYVSQNSXPVIINX-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001574987596 950297451 /nfs/dbraw/zinc/29/74/51/950297451.db2.gz DYRLLCZKNFACPQ-SNVBAGLBSA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001574987596 950297468 /nfs/dbraw/zinc/29/74/68/950297468.db2.gz DYRLLCZKNFACPQ-SNVBAGLBSA-N -1 3 386.420 0.258 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001574987833 950300848 /nfs/dbraw/zinc/30/08/48/950300848.db2.gz IBWLKCWRQDCAPF-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001574987833 950300869 /nfs/dbraw/zinc/30/08/69/950300869.db2.gz IBWLKCWRQDCAPF-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2ncncc2-c2nnn[n-]2)C1 ZINC001573852078 950302345 /nfs/dbraw/zinc/30/23/45/950302345.db2.gz CJHQTDJGLPOAFO-GFCCVEGCSA-N -1 3 390.448 0.855 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1)c1ccncc1 ZINC001574499473 950304656 /nfs/dbraw/zinc/30/46/56/950304656.db2.gz WGIHHFOXIAQPGF-GXTWGEPZSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)c1ccncc1 ZINC001574499473 950304673 /nfs/dbraw/zinc/30/46/73/950304673.db2.gz WGIHHFOXIAQPGF-GXTWGEPZSA-N -1 3 382.428 0.740 20 0 GCADHM CC1(C(=O)NCCN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCC1 ZINC001575593179 950306891 /nfs/dbraw/zinc/30/68/91/950306891.db2.gz MEBSHFRKRWGYRI-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM CC1(C(=O)NCCN2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCC1 ZINC001575593179 950306912 /nfs/dbraw/zinc/30/69/12/950306912.db2.gz MEBSHFRKRWGYRI-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001573852674 950307008 /nfs/dbraw/zinc/30/70/08/950307008.db2.gz INHRVWOYBUWOED-NSHDSACASA-N -1 3 395.445 0.549 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001573852674 950307033 /nfs/dbraw/zinc/30/70/33/950307033.db2.gz INHRVWOYBUWOED-NSHDSACASA-N -1 3 395.445 0.549 20 0 GCADHM C[C@]1(C(=O)NCCN(c2ccc(-c3nnn[n-]3)nc2)C2CC2)CCNC(=O)C1 ZINC001575593134 950307114 /nfs/dbraw/zinc/30/71/14/950307114.db2.gz KYVSQNSXPVIINX-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NCCN(c2ccc(-c3nn[n-]n3)nc2)C2CC2)CCNC(=O)C1 ZINC001575593134 950307130 /nfs/dbraw/zinc/30/71/30/950307130.db2.gz KYVSQNSXPVIINX-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001576193663 950308421 /nfs/dbraw/zinc/30/84/21/950308421.db2.gz VEAFIVIZGGTMER-ONGXEEELSA-N -1 3 387.379 0.994 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001576193663 950308443 /nfs/dbraw/zinc/30/84/43/950308443.db2.gz VEAFIVIZGGTMER-ONGXEEELSA-N -1 3 387.379 0.994 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CCCOC1 ZINC001574742772 950309707 /nfs/dbraw/zinc/30/97/07/950309707.db2.gz PZAADIUBUDZJFH-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CCCOC1 ZINC001574742772 950309727 /nfs/dbraw/zinc/30/97/27/950309727.db2.gz PZAADIUBUDZJFH-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1nccn1C ZINC001574742793 950309860 /nfs/dbraw/zinc/30/98/60/950309860.db2.gz QYJCTHQUGUARPI-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1nccn1C ZINC001574742793 950309884 /nfs/dbraw/zinc/30/98/84/950309884.db2.gz QYJCTHQUGUARPI-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001574988013 950310483 /nfs/dbraw/zinc/31/04/83/950310483.db2.gz KNLNZZPDXROGIR-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnon2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576193672 950311211 /nfs/dbraw/zinc/31/12/11/950311211.db2.gz VFNGJWQVOJDDHH-NXEZZACHSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnon2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576193672 950311227 /nfs/dbraw/zinc/31/12/27/950311227.db2.gz VFNGJWQVOJDDHH-NXEZZACHSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574500390 950314730 /nfs/dbraw/zinc/31/47/30/950314730.db2.gz ZZENVOKIYCNHKF-DOMZBBRYSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574500390 950314752 /nfs/dbraw/zinc/31/47/52/950314752.db2.gz ZZENVOKIYCNHKF-DOMZBBRYSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CC(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574501082 950319619 /nfs/dbraw/zinc/31/96/19/950319619.db2.gz AXSLBAPTTZEZKF-NSHDSACASA-N -1 3 387.448 0.407 20 0 GCADHM C[C@@H](CC(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574501082 950319637 /nfs/dbraw/zinc/31/96/37/950319637.db2.gz AXSLBAPTTZEZKF-NSHDSACASA-N -1 3 387.448 0.407 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC1CCOCC1 ZINC001574988205 950326771 /nfs/dbraw/zinc/32/67/71/950326771.db2.gz ONFNVGWNHWQKSJ-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC1CCOCC1 ZINC001574988205 950326792 /nfs/dbraw/zinc/32/67/92/950326792.db2.gz ONFNVGWNHWQKSJ-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(Cl)no1 ZINC001574743634 950329975 /nfs/dbraw/zinc/32/99/75/950329975.db2.gz ULCGLAUUBOHEDZ-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(Cl)no1 ZINC001574743634 950329997 /nfs/dbraw/zinc/32/99/97/950329997.db2.gz ULCGLAUUBOHEDZ-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCC1CCOCC1 ZINC001574988405 950330247 /nfs/dbraw/zinc/33/02/47/950330247.db2.gz QWPQUVZUGGVWAR-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCC1CCOCC1 ZINC001574988405 950330276 /nfs/dbraw/zinc/33/02/76/950330276.db2.gz QWPQUVZUGGVWAR-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cnn2c1CCC2 ZINC001574988429 950331867 /nfs/dbraw/zinc/33/18/67/950331867.db2.gz RCYWWMGKVFUSIY-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cnn2c1CCC2 ZINC001574988429 950331889 /nfs/dbraw/zinc/33/18/89/950331889.db2.gz RCYWWMGKVFUSIY-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001574160198 950332346 /nfs/dbraw/zinc/33/23/46/950332346.db2.gz MGTQAGYNOMTIES-OCCSQVGLSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001574160198 950332365 /nfs/dbraw/zinc/33/23/65/950332365.db2.gz MGTQAGYNOMTIES-OCCSQVGLSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001574160197 950333181 /nfs/dbraw/zinc/33/31/81/950333181.db2.gz MGTQAGYNOMTIES-JSGCOSHPSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001574160197 950333201 /nfs/dbraw/zinc/33/32/01/950333201.db2.gz MGTQAGYNOMTIES-JSGCOSHPSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cnccc2-c2nnn[n-]2)[C@@H](O)C1 ZINC001573854026 950335727 /nfs/dbraw/zinc/33/57/27/950335727.db2.gz XBLPINRBZJDGEY-OLZOCXBDSA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cnccc2-c2nn[n-]n2)[C@@H](O)C1 ZINC001573854026 950335746 /nfs/dbraw/zinc/33/57/46/950335746.db2.gz XBLPINRBZJDGEY-OLZOCXBDSA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NC(=O)c2csc(-c3nnn[n-]3)c2)(C(N)=O)C1 ZINC001573854305 950341794 /nfs/dbraw/zinc/34/17/94/950341794.db2.gz ZNRTUFLJIVPQEW-UHFFFAOYSA-N -1 3 393.429 0.133 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H]1CC(C)(C)CO1 ZINC001574988751 950342394 /nfs/dbraw/zinc/34/23/94/950342394.db2.gz UOQQGQQTYMJSJU-AAEUAGOBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H]1CC(C)(C)CO1 ZINC001574988751 950342418 /nfs/dbraw/zinc/34/24/18/950342418.db2.gz UOQQGQQTYMJSJU-AAEUAGOBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001574988652 950342458 /nfs/dbraw/zinc/34/24/58/950342458.db2.gz SWHXDKFHDUKWBN-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001574988652 950342473 /nfs/dbraw/zinc/34/24/73/950342473.db2.gz SWHXDKFHDUKWBN-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CC(=O)NCCC1(CNc2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574501698 950343189 /nfs/dbraw/zinc/34/31/89/950343189.db2.gz GMSWWEFLWBVUHS-NSHDSACASA-N -1 3 387.448 0.407 20 0 GCADHM C[C@@H](CC(=O)NCCC1(CNc2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574501698 950343208 /nfs/dbraw/zinc/34/32/08/950343208.db2.gz GMSWWEFLWBVUHS-NSHDSACASA-N -1 3 387.448 0.407 20 0 GCADHM CC(C)(C)NC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573854680 950344498 /nfs/dbraw/zinc/34/44/98/950344498.db2.gz BUJXETXSYDXIHZ-BXUZGUMPSA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)(C)NC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573854680 950344519 /nfs/dbraw/zinc/34/45/19/950344519.db2.gz BUJXETXSYDXIHZ-BXUZGUMPSA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CS(C)(=O)=O ZINC001574160920 950346170 /nfs/dbraw/zinc/34/61/70/950346170.db2.gz QZKQYBMDJIIYFJ-LLVKDONJSA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CS(C)(=O)=O ZINC001574160920 950346191 /nfs/dbraw/zinc/34/61/91/950346191.db2.gz QZKQYBMDJIIYFJ-LLVKDONJSA-N -1 3 381.462 0.249 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCCOCC1 ZINC001574744282 950346798 /nfs/dbraw/zinc/34/67/98/950346798.db2.gz YGECUBFRGOHRMO-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCOCC1 ZINC001574744282 950346820 /nfs/dbraw/zinc/34/68/20/950346820.db2.gz YGECUBFRGOHRMO-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1=O ZINC001573854675 950348024 /nfs/dbraw/zinc/34/80/24/950348024.db2.gz BLNCAFBGGWVJSE-CQSZACIVSA-N -1 3 386.460 0.352 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1=O ZINC001573854675 950348043 /nfs/dbraw/zinc/34/80/43/950348043.db2.gz BLNCAFBGGWVJSE-CQSZACIVSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C1(F)CCOCC1 ZINC001574988847 950348470 /nfs/dbraw/zinc/34/84/70/950348470.db2.gz WABXEKWOJMMSBD-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C1(F)CCOCC1 ZINC001574988847 950348488 /nfs/dbraw/zinc/34/84/88/950348488.db2.gz WABXEKWOJMMSBD-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)CCO2)CCOC1 ZINC001575595309 950350468 /nfs/dbraw/zinc/35/04/68/950350468.db2.gz OFMZQWNWQXASBE-SGTLLEGYSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)CCO2)CCOC1 ZINC001575595309 950350484 /nfs/dbraw/zinc/35/04/84/950350484.db2.gz OFMZQWNWQXASBE-SGTLLEGYSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001574501950 950350743 /nfs/dbraw/zinc/35/07/43/950350743.db2.gz HWMIRHDNMSPHCA-SMDDNHRTSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001574501950 950350766 /nfs/dbraw/zinc/35/07/66/950350766.db2.gz HWMIRHDNMSPHCA-SMDDNHRTSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574989051 950353575 /nfs/dbraw/zinc/35/35/75/950353575.db2.gz XKMOYXZWZWAKMY-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574989051 950353594 /nfs/dbraw/zinc/35/35/94/950353594.db2.gz XKMOYXZWZWAKMY-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H](C)CC(N)=O ZINC001574160974 950353520 /nfs/dbraw/zinc/35/35/20/950353520.db2.gz RXFRDAXCBVCRJJ-ZYHUDNBSSA-N -1 3 392.439 0.855 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H](C)CC(N)=O ZINC001574160974 950353537 /nfs/dbraw/zinc/35/35/37/950353537.db2.gz RXFRDAXCBVCRJJ-ZYHUDNBSSA-N -1 3 392.439 0.855 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574989113 950354892 /nfs/dbraw/zinc/35/48/92/950354892.db2.gz XWJYVWXUJQFGCO-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574989113 950354918 /nfs/dbraw/zinc/35/49/18/950354918.db2.gz XWJYVWXUJQFGCO-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C1CCC(O)CC1 ZINC001574988964 950357284 /nfs/dbraw/zinc/35/72/84/950357284.db2.gz WUQMDLTZCRXIBK-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C1CCC(O)CC1 ZINC001574988964 950357303 /nfs/dbraw/zinc/35/73/03/950357303.db2.gz WUQMDLTZCRXIBK-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(N)=O ZINC001574161322 950358190 /nfs/dbraw/zinc/35/81/90/950358190.db2.gz SZQWEDHPDYTUBB-QWRGUYRKSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(N)=O ZINC001574161322 950358207 /nfs/dbraw/zinc/35/82/07/950358207.db2.gz SZQWEDHPDYTUBB-QWRGUYRKSA-N -1 3 375.437 0.261 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]nc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574744540 950358826 /nfs/dbraw/zinc/35/88/26/950358826.db2.gz ZXBBSDOSSKCRHF-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]nc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574744540 950358847 /nfs/dbraw/zinc/35/88/47/950358847.db2.gz ZXBBSDOSSKCRHF-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)CCCOC1 ZINC001575595673 950361599 /nfs/dbraw/zinc/36/15/99/950361599.db2.gz PTRMWPXOJPIBRL-RDTXWAMCSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)CCCOC1 ZINC001575595673 950361617 /nfs/dbraw/zinc/36/16/17/950361617.db2.gz PTRMWPXOJPIBRL-RDTXWAMCSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001574989473 950365082 /nfs/dbraw/zinc/36/50/82/950365082.db2.gz ZNFHXVIGGISXIK-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001574989473 950365097 /nfs/dbraw/zinc/36/50/97/950365097.db2.gz ZNFHXVIGGISXIK-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nc(C2CC2)nn1C ZINC001574744757 950365369 /nfs/dbraw/zinc/36/53/69/950365369.db2.gz ARPJVRDUYDEASY-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nc(C2CC2)nn1C ZINC001574744757 950365387 /nfs/dbraw/zinc/36/53/87/950365387.db2.gz ARPJVRDUYDEASY-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574990426 950373057 /nfs/dbraw/zinc/37/30/57/950373057.db2.gz BYNGWQOBKGGEQY-PWSUYJOCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574990426 950373074 /nfs/dbraw/zinc/37/30/74/950373074.db2.gz BYNGWQOBKGGEQY-PWSUYJOCSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574162056 950374194 /nfs/dbraw/zinc/37/41/94/950374194.db2.gz YMFQHHOYUYDPFA-JTQLQIEISA-N -1 3 386.420 0.352 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573855399 950375459 /nfs/dbraw/zinc/37/54/59/950375459.db2.gz SRIKBXQTZZVTEE-SMDDNHRTSA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573855399 950375480 /nfs/dbraw/zinc/37/54/80/950375480.db2.gz SRIKBXQTZZVTEE-SMDDNHRTSA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574162077 950376047 /nfs/dbraw/zinc/37/60/47/950376047.db2.gz YUMOMPSIZSXNRT-STQMWFEESA-N -1 3 386.460 0.683 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574162077 950376057 /nfs/dbraw/zinc/37/60/57/950376057.db2.gz YUMOMPSIZSXNRT-STQMWFEESA-N -1 3 386.460 0.683 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CC1 ZINC001574502340 950376899 /nfs/dbraw/zinc/37/68/99/950376899.db2.gz MANOBCIRYNHKSE-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CC1 ZINC001574502340 950376920 /nfs/dbraw/zinc/37/69/20/950376920.db2.gz MANOBCIRYNHKSE-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575596565 950379778 /nfs/dbraw/zinc/37/97/78/950379778.db2.gz FZCDTIYYJDPLGO-FNFWKMNBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575596565 950379802 /nfs/dbraw/zinc/37/98/02/950379802.db2.gz FZCDTIYYJDPLGO-FNFWKMNBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575596561 950380151 /nfs/dbraw/zinc/38/01/51/950380151.db2.gz FZCDTIYYJDPLGO-AEDCBLDQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575596561 950380171 /nfs/dbraw/zinc/38/01/71/950380171.db2.gz FZCDTIYYJDPLGO-AEDCBLDQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nnsc1Cl ZINC001574990924 950380977 /nfs/dbraw/zinc/38/09/77/950380977.db2.gz GMXGPJOOMAINTN-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nnsc1Cl ZINC001574990924 950381001 /nfs/dbraw/zinc/38/10/01/950381001.db2.gz GMXGPJOOMAINTN-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573856534 950387469 /nfs/dbraw/zinc/38/74/69/950387469.db2.gz BQSKLAKVDBDBQC-OLZOCXBDSA-N -1 3 392.391 0.716 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573856534 950387486 /nfs/dbraw/zinc/38/74/86/950387486.db2.gz BQSKLAKVDBDBQC-OLZOCXBDSA-N -1 3 392.391 0.716 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574162563 950387928 /nfs/dbraw/zinc/38/79/28/950387928.db2.gz DCWHDFREWLJYHP-TZMCWYRMSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574162563 950387937 /nfs/dbraw/zinc/38/79/37/950387937.db2.gz DCWHDFREWLJYHP-TZMCWYRMSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)N[C@@H](C)c1nnnn1C1CC1 ZINC001574745728 950388275 /nfs/dbraw/zinc/38/82/75/950388275.db2.gz JSXIUMYWWYHSPL-UWVGGRQHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)N[C@@H](C)c1nnnn1C1CC1 ZINC001574745728 950388296 /nfs/dbraw/zinc/38/82/96/950388296.db2.gz JSXIUMYWWYHSPL-UWVGGRQHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CC(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574502834 950388696 /nfs/dbraw/zinc/38/86/96/950388696.db2.gz QWSZKOWDZSQATB-SNVBAGLBSA-N -1 3 390.423 0.001 20 0 GCADHM C[C@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574502834 950388714 /nfs/dbraw/zinc/38/87/14/950388714.db2.gz QWSZKOWDZSQATB-SNVBAGLBSA-N -1 3 390.423 0.001 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ncccc1-c1nnn[n-]1 ZINC001574746133 950390415 /nfs/dbraw/zinc/39/04/15/950390415.db2.gz LVGXNLJPEJUUNA-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ncccc1-c1nn[n-]n1 ZINC001574746133 950390432 /nfs/dbraw/zinc/39/04/32/950390432.db2.gz LVGXNLJPEJUUNA-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H]1[C@@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575909227 950393428 /nfs/dbraw/zinc/39/34/28/950393428.db2.gz GEYLDSSJUQCXKT-ONGXEEELSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@H]1[C@@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575909227 950393448 /nfs/dbraw/zinc/39/34/48/950393448.db2.gz GEYLDSSJUQCXKT-ONGXEEELSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574746771 950397026 /nfs/dbraw/zinc/39/70/26/950397026.db2.gz PCITWJIKXMLDQE-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574746771 950397044 /nfs/dbraw/zinc/39/70/44/950397044.db2.gz PCITWJIKXMLDQE-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574746366 950398118 /nfs/dbraw/zinc/39/81/18/950398118.db2.gz OANANBREOGWVQS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574746366 950398137 /nfs/dbraw/zinc/39/81/37/950398137.db2.gz OANANBREOGWVQS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574162745 950398213 /nfs/dbraw/zinc/39/82/13/950398213.db2.gz IHLZDWHVKQSFSQ-LLVKDONJSA-N -1 3 385.432 0.957 20 0 GCADHM C[C@H](CC(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001574503075 950398383 /nfs/dbraw/zinc/39/83/83/950398383.db2.gz SXOAZLXLDAFCSM-QADGWQRPSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@H](CC(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001574503075 950398405 /nfs/dbraw/zinc/39/84/05/950398405.db2.gz SXOAZLXLDAFCSM-QADGWQRPSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)CO1 ZINC001573857098 950402859 /nfs/dbraw/zinc/40/28/59/950402859.db2.gz NRWRQRAJQINBBK-NSHDSACASA-N -1 3 390.404 0.341 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)CO1 ZINC001573857098 950402870 /nfs/dbraw/zinc/40/28/70/950402870.db2.gz NRWRQRAJQINBBK-NSHDSACASA-N -1 3 390.404 0.341 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001573860014 950412089 /nfs/dbraw/zinc/41/20/89/950412089.db2.gz AAYVSTYZAQKUNH-ZDUSSCGKSA-N -1 3 376.417 0.411 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001573860014 950412102 /nfs/dbraw/zinc/41/21/02/950412102.db2.gz AAYVSTYZAQKUNH-ZDUSSCGKSA-N -1 3 376.417 0.411 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001574503706 950417888 /nfs/dbraw/zinc/41/78/88/950417888.db2.gz YVGVDUOMYUMMSR-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001574503706 950417903 /nfs/dbraw/zinc/41/79/03/950417903.db2.gz YVGVDUOMYUMMSR-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574503681 950419754 /nfs/dbraw/zinc/41/97/54/950419754.db2.gz YRRTYGQLTUTKGH-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574503681 950419764 /nfs/dbraw/zinc/41/97/64/950419764.db2.gz YRRTYGQLTUTKGH-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1c[nH]cn1 ZINC001574163253 950422070 /nfs/dbraw/zinc/42/20/70/950422070.db2.gz RNBYBSBJBYCGTE-CYBMUJFWSA-N -1 3 384.448 0.955 20 0 GCADHM CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1c[nH]cn1 ZINC001574163253 950422082 /nfs/dbraw/zinc/42/20/82/950422082.db2.gz RNBYBSBJBYCGTE-CYBMUJFWSA-N -1 3 384.448 0.955 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCOCC1 ZINC001574750458 950425408 /nfs/dbraw/zinc/42/54/08/950425408.db2.gz ARGWEGAUJXJVNQ-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCOCC1 ZINC001574750458 950425419 /nfs/dbraw/zinc/42/54/19/950425419.db2.gz ARGWEGAUJXJVNQ-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCCOCC1 ZINC001574750457 950426581 /nfs/dbraw/zinc/42/65/81/950426581.db2.gz ARGWEGAUJXJVNQ-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCOCC1 ZINC001574750457 950426594 /nfs/dbraw/zinc/42/65/94/950426594.db2.gz ARGWEGAUJXJVNQ-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1ccnc1 ZINC001575910718 950427652 /nfs/dbraw/zinc/42/76/52/950427652.db2.gz BGAANBSGSQDFBI-STQMWFEESA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1ccnc1 ZINC001575910718 950427669 /nfs/dbraw/zinc/42/76/69/950427669.db2.gz BGAANBSGSQDFBI-STQMWFEESA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1ccnc1 ZINC001575910715 950427999 /nfs/dbraw/zinc/42/79/99/950427999.db2.gz BGAANBSGSQDFBI-CHWSQXEVSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1ccnc1 ZINC001575910715 950428017 /nfs/dbraw/zinc/42/80/17/950428017.db2.gz BGAANBSGSQDFBI-CHWSQXEVSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccn2nnnc2c1 ZINC001575910699 950429827 /nfs/dbraw/zinc/42/98/27/950429827.db2.gz AWBVDIRKFSGNDA-GWCFXTLKSA-N -1 3 391.399 0.415 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccn2nnnc2c1 ZINC001575910699 950429836 /nfs/dbraw/zinc/42/98/36/950429836.db2.gz AWBVDIRKFSGNDA-GWCFXTLKSA-N -1 3 391.399 0.415 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575910725 950430355 /nfs/dbraw/zinc/43/03/55/950430355.db2.gz BHENLTWMHJFLTE-OCCSQVGLSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575910725 950430368 /nfs/dbraw/zinc/43/03/68/950430368.db2.gz BHENLTWMHJFLTE-OCCSQVGLSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574992078 950432098 /nfs/dbraw/zinc/43/20/98/950432098.db2.gz WUSDOCZLXKPROU-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574992078 950432109 /nfs/dbraw/zinc/43/21/09/950432109.db2.gz WUSDOCZLXKPROU-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM CC1(C(=O)NCc2nc(CNc3cnc(-c4nnn[n-]4)cn3)cc(=O)[nH]2)CC1 ZINC001575599516 950433463 /nfs/dbraw/zinc/43/34/63/950433463.db2.gz LIPWEPMDNAMIAG-UHFFFAOYSA-N -1 3 382.388 0.181 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)c1ccnn1C ZINC001574750591 950434393 /nfs/dbraw/zinc/43/43/93/950434393.db2.gz DFZJVZKZRNLWJY-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)c1ccnn1C ZINC001574750591 950434401 /nfs/dbraw/zinc/43/44/01/950434401.db2.gz DFZJVZKZRNLWJY-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)c1ccnn1C ZINC001574750592 950435168 /nfs/dbraw/zinc/43/51/68/950435168.db2.gz DFZJVZKZRNLWJY-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)c1ccnn1C ZINC001574750592 950435181 /nfs/dbraw/zinc/43/51/81/950435181.db2.gz DFZJVZKZRNLWJY-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575911180 950439472 /nfs/dbraw/zinc/43/94/72/950439472.db2.gz NEHDKWHOWMHZCE-BXUZGUMPSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575911180 950439484 /nfs/dbraw/zinc/43/94/84/950439484.db2.gz NEHDKWHOWMHZCE-BXUZGUMPSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@]1(C)CCCOC1 ZINC001574750724 950439803 /nfs/dbraw/zinc/43/98/03/950439803.db2.gz GOIQLRCGRJDNLQ-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@]1(C)CCCOC1 ZINC001574750724 950439819 /nfs/dbraw/zinc/43/98/19/950439819.db2.gz GOIQLRCGRJDNLQ-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2ncccn2n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574750730 950439946 /nfs/dbraw/zinc/43/99/46/950439946.db2.gz GRQXXVCHNMHFCT-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2ncccn2n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574750730 950439964 /nfs/dbraw/zinc/43/99/64/950439964.db2.gz GRQXXVCHNMHFCT-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575911181 950439943 /nfs/dbraw/zinc/43/99/43/950439943.db2.gz NEHDKWHOWMHZCE-FZMZJTMJSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575911181 950439958 /nfs/dbraw/zinc/43/99/58/950439958.db2.gz NEHDKWHOWMHZCE-FZMZJTMJSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574750780 950444410 /nfs/dbraw/zinc/44/44/10/950444410.db2.gz HTTMOGHADRFPLI-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574750780 950444424 /nfs/dbraw/zinc/44/44/24/950444424.db2.gz HTTMOGHADRFPLI-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(N(C)C)ccn1 ZINC001574992431 950446197 /nfs/dbraw/zinc/44/61/97/950446197.db2.gz CBNCGDCFSXVYLS-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(N(C)C)ccn1 ZINC001574992431 950446210 /nfs/dbraw/zinc/44/62/10/950446210.db2.gz CBNCGDCFSXVYLS-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)c1cccnc1 ZINC001574750875 950447548 /nfs/dbraw/zinc/44/75/48/950447548.db2.gz IJNBDAYPTMQLPH-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)c1cccnc1 ZINC001574750875 950447555 /nfs/dbraw/zinc/44/75/55/950447555.db2.gz IJNBDAYPTMQLPH-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CC(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574507182 950451865 /nfs/dbraw/zinc/45/18/65/950451865.db2.gz FPRQGENAUOMORZ-SNVBAGLBSA-N -1 3 378.412 0.001 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001574507460 950453976 /nfs/dbraw/zinc/45/39/76/950453976.db2.gz JFSNLCGRQVEWNO-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001574507460 950453987 /nfs/dbraw/zinc/45/39/87/950453987.db2.gz JFSNLCGRQVEWNO-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)CCCC1 ZINC001575604981 950454177 /nfs/dbraw/zinc/45/41/77/950454177.db2.gz JGZULYUUSHZEIX-CHWSQXEVSA-N -1 3 375.408 0.647 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)CCCC1 ZINC001575604981 950454192 /nfs/dbraw/zinc/45/41/92/950454192.db2.gz JGZULYUUSHZEIX-CHWSQXEVSA-N -1 3 375.408 0.647 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1nc(Cl)cs1 ZINC001574992712 950459289 /nfs/dbraw/zinc/45/92/89/950459289.db2.gz HNGLDZMWKYEKRD-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1nc(Cl)cs1 ZINC001574992712 950459304 /nfs/dbraw/zinc/45/93/04/950459304.db2.gz HNGLDZMWKYEKRD-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001573861942 950459486 /nfs/dbraw/zinc/45/94/86/950459486.db2.gz MBEUBGVGOJJNLR-VHSXEESVSA-N -1 3 389.416 0.900 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001573861942 950459501 /nfs/dbraw/zinc/45/95/01/950459501.db2.gz MBEUBGVGOJJNLR-VHSXEESVSA-N -1 3 389.416 0.900 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574993010 950460226 /nfs/dbraw/zinc/46/02/26/950460226.db2.gz IBQPQRXIKZORQI-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574993010 950460240 /nfs/dbraw/zinc/46/02/40/950460240.db2.gz IBQPQRXIKZORQI-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM CC(C)CC1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574166097 950460387 /nfs/dbraw/zinc/46/03/87/950460387.db2.gz LPUNUCDRYWSYFW-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)CC1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574166097 950460404 /nfs/dbraw/zinc/46/04/04/950460404.db2.gz LPUNUCDRYWSYFW-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C[C@@H]2O)CCOC1 ZINC001575605424 950462102 /nfs/dbraw/zinc/46/21/02/950462102.db2.gz NNBLVGGITMSZHR-VKJFTORMSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C[C@@H]2O)CCOC1 ZINC001575605418 950463841 /nfs/dbraw/zinc/46/38/41/950463841.db2.gz NNBLVGGITMSZHR-RVKKMQEKSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cncn1C ZINC001575912575 950465736 /nfs/dbraw/zinc/46/57/36/950465736.db2.gz HHCKWNNXAJROPM-YPMHNXCESA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)Cn1ccccc1=O ZINC001575912538 950466046 /nfs/dbraw/zinc/46/60/46/950466046.db2.gz GZOQZRIODHUHCA-GXTWGEPZSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)Cn1ccccc1=O ZINC001575912538 950466052 /nfs/dbraw/zinc/46/60/52/950466052.db2.gz GZOQZRIODHUHCA-GXTWGEPZSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574751686 950466429 /nfs/dbraw/zinc/46/64/29/950466429.db2.gz QNWOLISNMFUICV-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574751686 950466441 /nfs/dbraw/zinc/46/64/41/950466441.db2.gz QNWOLISNMFUICV-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574993644 950466928 /nfs/dbraw/zinc/46/69/28/950466928.db2.gz LWAKFNSYEJBPBZ-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574993644 950466942 /nfs/dbraw/zinc/46/69/42/950466942.db2.gz LWAKFNSYEJBPBZ-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C2CC2)nn1C ZINC001574993860 950467040 /nfs/dbraw/zinc/46/70/40/950467040.db2.gz MRWZAFQAVGIVFF-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C2CC2)nn1C ZINC001574993860 950467054 /nfs/dbraw/zinc/46/70/54/950467054.db2.gz MRWZAFQAVGIVFF-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001573862537 950467109 /nfs/dbraw/zinc/46/71/09/950467109.db2.gz WCWJLUICUKKJHR-PWSUYJOCSA-N -1 3 375.389 0.882 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001573862537 950467121 /nfs/dbraw/zinc/46/71/21/950467121.db2.gz WCWJLUICUKKJHR-PWSUYJOCSA-N -1 3 375.389 0.882 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574993870 950471994 /nfs/dbraw/zinc/47/19/94/950471994.db2.gz MSNMDPJSCRJHNX-LEWSCRJBSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574993870 950472012 /nfs/dbraw/zinc/47/20/12/950472012.db2.gz MSNMDPJSCRJHNX-LEWSCRJBSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CC1 ZINC001574166612 950472016 /nfs/dbraw/zinc/47/20/16/950472016.db2.gz UHZNOAHWFZBWGJ-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC1 ZINC001574166612 950472031 /nfs/dbraw/zinc/47/20/31/950472031.db2.gz UHZNOAHWFZBWGJ-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1cccc(F)c1F ZINC001574994227 950474476 /nfs/dbraw/zinc/47/44/76/950474476.db2.gz PFRIBTSEODRGCK-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1cccc(F)c1F ZINC001574994227 950474486 /nfs/dbraw/zinc/47/44/86/950474486.db2.gz PFRIBTSEODRGCK-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575605738 950476022 /nfs/dbraw/zinc/47/60/22/950476022.db2.gz RFLWIETXGPEUFN-SUFBMKPHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575605738 950476036 /nfs/dbraw/zinc/47/60/36/950476036.db2.gz RFLWIETXGPEUFN-SUFBMKPHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCn1cccn1 ZINC001574752199 950476016 /nfs/dbraw/zinc/47/60/16/950476016.db2.gz VLZMMHLFJKLOJT-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCn1cccn1 ZINC001574752199 950476030 /nfs/dbraw/zinc/47/60/30/950476030.db2.gz VLZMMHLFJKLOJT-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001574166729 950477550 /nfs/dbraw/zinc/47/75/50/950477550.db2.gz XATNFWDQIZJQAZ-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001574166729 950477574 /nfs/dbraw/zinc/47/75/74/950477574.db2.gz XATNFWDQIZJQAZ-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574166771 950477619 /nfs/dbraw/zinc/47/76/19/950477619.db2.gz YSHJOUZIUSPGGX-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574166771 950477636 /nfs/dbraw/zinc/47/76/36/950477636.db2.gz YSHJOUZIUSPGGX-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccccc1N(C)C ZINC001574994335 950479704 /nfs/dbraw/zinc/47/97/04/950479704.db2.gz QJXBYSTWTQLUTE-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccccc1N(C)C ZINC001574994335 950479709 /nfs/dbraw/zinc/47/97/09/950479709.db2.gz QJXBYSTWTQLUTE-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1nc2c(s1)CCC2 ZINC001574994358 950481714 /nfs/dbraw/zinc/48/17/14/950481714.db2.gz QKLMNGWCVFHVKW-QMMMGPOBSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1nc2c(s1)CCC2 ZINC001574994358 950481739 /nfs/dbraw/zinc/48/17/39/950481739.db2.gz QKLMNGWCVFHVKW-QMMMGPOBSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575605759 950482362 /nfs/dbraw/zinc/48/23/62/950482362.db2.gz SHNKXXLSFKWLID-SNUQEOBHSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575605759 950482378 /nfs/dbraw/zinc/48/23/78/950482378.db2.gz SHNKXXLSFKWLID-SNUQEOBHSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575913865 950488592 /nfs/dbraw/zinc/48/85/92/950488592.db2.gz ULJBZPCITRLRQK-ZJUUUORDSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575913865 950488607 /nfs/dbraw/zinc/48/86/07/950488607.db2.gz ULJBZPCITRLRQK-ZJUUUORDSA-N -1 3 386.420 0.037 20 0 GCADHM CC(C)CCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574167748 950493354 /nfs/dbraw/zinc/49/33/54/950493354.db2.gz IBVKLVIPVZEMNR-ZDUSSCGKSA-N -1 3 377.449 0.522 20 0 GCADHM CC(C)CCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574167748 950493363 /nfs/dbraw/zinc/49/33/63/950493363.db2.gz IBVKLVIPVZEMNR-ZDUSSCGKSA-N -1 3 377.449 0.522 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574752723 950495161 /nfs/dbraw/zinc/49/51/61/950495161.db2.gz ZMOKSGPFOPRUAA-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574752723 950495172 /nfs/dbraw/zinc/49/51/72/950495172.db2.gz ZMOKSGPFOPRUAA-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCC(=O)NC1 ZINC001575605985 950495399 /nfs/dbraw/zinc/49/53/99/950495399.db2.gz ZPFMAXLCFLVECC-APPDUMDISA-N -1 3 389.485 0.535 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573866380 950497564 /nfs/dbraw/zinc/49/75/64/950497564.db2.gz AFQMVZRHRBQZHB-CYBMUJFWSA-N -1 3 375.433 0.716 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573866380 950497575 /nfs/dbraw/zinc/49/75/75/950497575.db2.gz AFQMVZRHRBQZHB-CYBMUJFWSA-N -1 3 375.433 0.716 20 0 GCADHM CC(C)c1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]n1 ZINC001574752867 950498276 /nfs/dbraw/zinc/49/82/76/950498276.db2.gz BLNRRBIKQJFGAG-JTQLQIEISA-N -1 3 385.432 0.932 20 0 GCADHM CC(C)c1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]n1 ZINC001574752867 950498285 /nfs/dbraw/zinc/49/82/85/950498285.db2.gz BLNRRBIKQJFGAG-JTQLQIEISA-N -1 3 385.432 0.932 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCCS1(=O)=O ZINC001575606699 950499633 /nfs/dbraw/zinc/49/96/33/950499633.db2.gz CSGWERWRGSIETQ-XHBSWPGZSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCCS1(=O)=O ZINC001575606699 950499639 /nfs/dbraw/zinc/49/96/39/950499639.db2.gz CSGWERWRGSIETQ-XHBSWPGZSA-N -1 3 391.457 0.288 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573866460 950500387 /nfs/dbraw/zinc/50/03/87/950500387.db2.gz CUCIPBKIFZRDBY-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573866460 950500406 /nfs/dbraw/zinc/50/04/06/950500406.db2.gz CUCIPBKIFZRDBY-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574995337 950506725 /nfs/dbraw/zinc/50/67/25/950506725.db2.gz YTLYLAVDGOHTCR-SNVBAGLBSA-N -1 3 383.416 0.203 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574995337 950506741 /nfs/dbraw/zinc/50/67/41/950506741.db2.gz YTLYLAVDGOHTCR-SNVBAGLBSA-N -1 3 383.416 0.203 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573866685 950509419 /nfs/dbraw/zinc/50/94/19/950509419.db2.gz ISNRKAYJNUSFKO-SFHVURJKSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573866685 950509430 /nfs/dbraw/zinc/50/94/30/950509430.db2.gz ISNRKAYJNUSFKO-SFHVURJKSA-N -1 3 389.460 0.842 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574995422 950511975 /nfs/dbraw/zinc/51/19/75/950511975.db2.gz ZUNBXCRYUMXSCV-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574995422 950511995 /nfs/dbraw/zinc/51/19/95/950511995.db2.gz ZUNBXCRYUMXSCV-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nnc2n1CCCCC2 ZINC001574995701 950515015 /nfs/dbraw/zinc/51/50/15/950515015.db2.gz GZIGTQPMBJYPRC-LLVKDONJSA-N -1 3 384.448 0.421 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nnc2n1CCCCC2 ZINC001574995701 950515034 /nfs/dbraw/zinc/51/50/34/950515034.db2.gz GZIGTQPMBJYPRC-LLVKDONJSA-N -1 3 384.448 0.421 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573866912 950516473 /nfs/dbraw/zinc/51/64/73/950516473.db2.gz NPOMVCVLHBBRCM-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573866912 950516492 /nfs/dbraw/zinc/51/64/92/950516492.db2.gz NPOMVCVLHBBRCM-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(=O)[nH]n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574753302 950517722 /nfs/dbraw/zinc/51/77/22/950517722.db2.gz KTFIBNDGVSVPBR-MRVPVSSYSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(=O)[nH]n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574753302 950517738 /nfs/dbraw/zinc/51/77/38/950517738.db2.gz KTFIBNDGVSVPBR-MRVPVSSYSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@H](CC(=O)NCCN(c1cnc(-c2nnn[n-]2)cn1)C1CC1)n1ccnc1 ZINC001574509647 950520025 /nfs/dbraw/zinc/52/00/25/950520025.db2.gz UROOANQEJLQOGA-GFCCVEGCSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CC(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)n1ccnc1 ZINC001574509647 950520042 /nfs/dbraw/zinc/52/00/42/950520042.db2.gz UROOANQEJLQOGA-GFCCVEGCSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574995991 950521075 /nfs/dbraw/zinc/52/10/75/950521075.db2.gz JFRLHQFOIPFEEB-MRVPVSSYSA-N -1 3 382.388 0.260 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573867115 950522249 /nfs/dbraw/zinc/52/22/49/950522249.db2.gz PQWVRCVIONSXEZ-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573867115 950522268 /nfs/dbraw/zinc/52/22/68/950522268.db2.gz PQWVRCVIONSXEZ-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573867298 950529818 /nfs/dbraw/zinc/52/98/18/950529818.db2.gz UNRMEKCPYRRQOA-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573867298 950529833 /nfs/dbraw/zinc/52/98/33/950529833.db2.gz UNRMEKCPYRRQOA-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573867330 950530137 /nfs/dbraw/zinc/53/01/37/950530137.db2.gz WJGNWNPXJRWPJU-GOSISDBHSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573867330 950530150 /nfs/dbraw/zinc/53/01/50/950530150.db2.gz WJGNWNPXJRWPJU-GOSISDBHSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573867365 950531363 /nfs/dbraw/zinc/53/13/63/950531363.db2.gz XLYLQNUFXVWRNX-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573867365 950531376 /nfs/dbraw/zinc/53/13/76/950531376.db2.gz XLYLQNUFXVWRNX-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573868218 950536874 /nfs/dbraw/zinc/53/68/74/950536874.db2.gz AKHWCHLNXAXOHR-SFHVURJKSA-N -1 3 389.460 0.524 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573868218 950536890 /nfs/dbraw/zinc/53/68/90/950536890.db2.gz AKHWCHLNXAXOHR-SFHVURJKSA-N -1 3 389.460 0.524 20 0 GCADHM CC(C)CCC(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574170390 950538569 /nfs/dbraw/zinc/53/85/69/950538569.db2.gz HROOQVFFBQJZIA-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574170390 950538592 /nfs/dbraw/zinc/53/85/92/950538592.db2.gz HROOQVFFBQJZIA-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COc1cccnc1 ZINC001574753779 950539619 /nfs/dbraw/zinc/53/96/19/950539619.db2.gz HMKLACVCKGOGTC-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COc1cccnc1 ZINC001574753779 950539635 /nfs/dbraw/zinc/53/96/35/950539635.db2.gz HMKLACVCKGOGTC-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)CCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574170561 950542208 /nfs/dbraw/zinc/54/22/08/950542208.db2.gz JLLQIFPOCFEWHF-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574170561 950542223 /nfs/dbraw/zinc/54/22/23/950542223.db2.gz JLLQIFPOCFEWHF-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)n1ccnc1 ZINC001574510851 950545947 /nfs/dbraw/zinc/54/59/47/950545947.db2.gz BCCBRSHSFLQWNJ-YRGRVCCFSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1C)n1ccnc1 ZINC001574510846 950546438 /nfs/dbraw/zinc/54/64/38/950546438.db2.gz BCCBRSHSFLQWNJ-MBNYWOFBSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)C(F)(F)F ZINC001574510895 950547655 /nfs/dbraw/zinc/54/76/55/950547655.db2.gz DFHFZSOEJHJYKN-JMJZKYOTSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)C(F)(F)F ZINC001574510895 950547670 /nfs/dbraw/zinc/54/76/70/950547670.db2.gz DFHFZSOEJHJYKN-JMJZKYOTSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)C(F)(F)F ZINC001574510870 950547996 /nfs/dbraw/zinc/54/79/96/950547996.db2.gz CGVHMNXWAFPHMQ-IEBDPFPHSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)C(F)(F)F ZINC001574510870 950548011 /nfs/dbraw/zinc/54/80/11/950548011.db2.gz CGVHMNXWAFPHMQ-IEBDPFPHSA-N -1 3 385.350 0.516 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001573869034 950551567 /nfs/dbraw/zinc/55/15/67/950551567.db2.gz JGMAZHHTWBWQJD-UHFFFAOYSA-N -1 3 375.433 0.779 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001573869034 950551582 /nfs/dbraw/zinc/55/15/82/950551582.db2.gz JGMAZHHTWBWQJD-UHFFFAOYSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575916847 950552021 /nfs/dbraw/zinc/55/20/21/950552021.db2.gz SKVPTVNPIBHSHI-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575916847 950552028 /nfs/dbraw/zinc/55/20/28/950552028.db2.gz SKVPTVNPIBHSHI-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cscn1 ZINC001574753952 950553569 /nfs/dbraw/zinc/55/35/69/950553569.db2.gz IOMSSVRHKUYILL-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cscn1 ZINC001574753952 950553587 /nfs/dbraw/zinc/55/35/87/950553587.db2.gz IOMSSVRHKUYILL-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575917206 950557826 /nfs/dbraw/zinc/55/78/26/950557826.db2.gz VHZKYZYAHLZILC-JQWIXIFHSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575917206 950557842 /nfs/dbraw/zinc/55/78/42/950557842.db2.gz VHZKYZYAHLZILC-JQWIXIFHSA-N -1 3 383.416 0.014 20 0 GCADHM CC(C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574171446 950558510 /nfs/dbraw/zinc/55/85/10/950558510.db2.gz QFCRNYKAMBUYSW-FZMZJTMJSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574171446 950558526 /nfs/dbraw/zinc/55/85/26/950558526.db2.gz QFCRNYKAMBUYSW-FZMZJTMJSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001573869150 950558509 /nfs/dbraw/zinc/55/85/09/950558509.db2.gz LLUHCZMCMSIQSX-CHWSQXEVSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001573869150 950558529 /nfs/dbraw/zinc/55/85/29/950558529.db2.gz LLUHCZMCMSIQSX-CHWSQXEVSA-N -1 3 375.433 0.133 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575917210 950559210 /nfs/dbraw/zinc/55/92/10/950559210.db2.gz VHZKYZYAHLZILC-ZYHUDNBSSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575917210 950559236 /nfs/dbraw/zinc/55/92/36/950559236.db2.gz VHZKYZYAHLZILC-ZYHUDNBSSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575917048 950559839 /nfs/dbraw/zinc/55/98/39/950559839.db2.gz URDQXJQUTCBYGP-CMPLNLGQSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575917048 950559854 /nfs/dbraw/zinc/55/98/54/950559854.db2.gz URDQXJQUTCBYGP-CMPLNLGQSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575917053 950559895 /nfs/dbraw/zinc/55/98/95/950559895.db2.gz URDQXJQUTCBYGP-ZYHUDNBSSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575917053 950559917 /nfs/dbraw/zinc/55/99/17/950559917.db2.gz URDQXJQUTCBYGP-ZYHUDNBSSA-N -1 3 381.400 0.566 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573869610 950568844 /nfs/dbraw/zinc/56/88/44/950568844.db2.gz AJAFCXQUFPCIDZ-UMSPYCQHSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573869610 950568866 /nfs/dbraw/zinc/56/88/66/950568866.db2.gz AJAFCXQUFPCIDZ-UMSPYCQHSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574171988 950572180 /nfs/dbraw/zinc/57/21/80/950572180.db2.gz XJZMKXGYKTXCGA-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574171988 950572202 /nfs/dbraw/zinc/57/22/02/950572202.db2.gz XJZMKXGYKTXCGA-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573869608 950572360 /nfs/dbraw/zinc/57/23/60/950572360.db2.gz AJAFCXQUFPCIDZ-KLPPZKSPSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573869608 950572384 /nfs/dbraw/zinc/57/23/84/950572384.db2.gz AJAFCXQUFPCIDZ-KLPPZKSPSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C2CC2)on1 ZINC001574754430 950572330 /nfs/dbraw/zinc/57/23/30/950572330.db2.gz LNJGAIPAKGAYGU-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C2CC2)on1 ZINC001574754430 950572349 /nfs/dbraw/zinc/57/23/49/950572349.db2.gz LNJGAIPAKGAYGU-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574754557 950572822 /nfs/dbraw/zinc/57/28/22/950572822.db2.gz MPZGFVWLDHJFGB-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574754557 950572838 /nfs/dbraw/zinc/57/28/38/950572838.db2.gz MPZGFVWLDHJFGB-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917455 950573608 /nfs/dbraw/zinc/57/36/08/950573608.db2.gz YCJPMOVBTSFZER-WCQYABFASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917455 950573624 /nfs/dbraw/zinc/57/36/24/950573624.db2.gz YCJPMOVBTSFZER-WCQYABFASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574999211 950576297 /nfs/dbraw/zinc/57/62/97/950576297.db2.gz GQWXEAPUGDRLGH-LLVKDONJSA-N -1 3 385.432 0.789 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574999211 950576313 /nfs/dbraw/zinc/57/63/13/950576313.db2.gz GQWXEAPUGDRLGH-LLVKDONJSA-N -1 3 385.432 0.789 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1 ZINC001573869795 950577776 /nfs/dbraw/zinc/57/77/76/950577776.db2.gz DGXSGNQOJIVMFL-GFCCVEGCSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1 ZINC001573869795 950577796 /nfs/dbraw/zinc/57/77/96/950577796.db2.gz DGXSGNQOJIVMFL-GFCCVEGCSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1nccnc1-c1nn[n-]n1 ZINC001574999411 950578221 /nfs/dbraw/zinc/57/82/21/950578221.db2.gz JCSMNBOOURUNJA-JTQLQIEISA-N -1 3 386.420 0.184 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573869749 950578314 /nfs/dbraw/zinc/57/83/14/950578314.db2.gz CBFQXLIHGGMBKB-MRXNPFEDSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573869749 950578326 /nfs/dbraw/zinc/57/83/26/950578326.db2.gz CBFQXLIHGGMBKB-MRXNPFEDSA-N -1 3 388.472 0.999 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574754732 950581329 /nfs/dbraw/zinc/58/13/29/950581329.db2.gz OVUAVTZXAVNNGB-RKRFWMIESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574754732 950581342 /nfs/dbraw/zinc/58/13/42/950581342.db2.gz OVUAVTZXAVNNGB-RKRFWMIESA-N -1 3 385.428 0.195 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573870119 950585150 /nfs/dbraw/zinc/58/51/50/950585150.db2.gz DZSXIRCYWNRSGU-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573870119 950585167 /nfs/dbraw/zinc/58/51/67/950585167.db2.gz DZSXIRCYWNRSGU-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncoc1C1CC1 ZINC001574755296 950590239 /nfs/dbraw/zinc/59/02/39/950590239.db2.gz UAIPHWFOQTXRPW-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncoc1C1CC1 ZINC001574755296 950590255 /nfs/dbraw/zinc/59/02/55/950590255.db2.gz UAIPHWFOQTXRPW-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574999762 950590555 /nfs/dbraw/zinc/59/05/55/950590555.db2.gz NAFNLTGQOLLAML-VIFPVBQESA-N -1 3 386.391 0.688 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574999762 950590563 /nfs/dbraw/zinc/59/05/63/950590563.db2.gz NAFNLTGQOLLAML-VIFPVBQESA-N -1 3 386.391 0.688 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)N[C@@H](C)c1nnnn1C1CC1 ZINC001574755767 950593804 /nfs/dbraw/zinc/59/38/04/950593804.db2.gz VMWSONXULDDQIK-ZJUUUORDSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001576207328 950596344 /nfs/dbraw/zinc/59/63/44/950596344.db2.gz FKAUMRRTBBQVML-UKRRQHHQSA-N -1 3 385.476 0.330 20 0 GCADHM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575000185 950597461 /nfs/dbraw/zinc/59/74/61/950597461.db2.gz BHWRROBRNZEXKA-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575000185 950597480 /nfs/dbraw/zinc/59/74/80/950597480.db2.gz BHWRROBRNZEXKA-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM CC1CCN(CC(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576207688 950601519 /nfs/dbraw/zinc/60/15/19/950601519.db2.gz ILAOIQZUNOAZAL-HDJSIYSDSA-N -1 3 385.476 0.117 20 0 GCADHM CC(C)CCC(=O)N1CCOC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001574173815 950602038 /nfs/dbraw/zinc/60/20/38/950602038.db2.gz NEDNJZXLZDOYGQ-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CCC(=O)N1CCOC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001574173815 950602047 /nfs/dbraw/zinc/60/20/47/950602047.db2.gz NEDNJZXLZDOYGQ-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nc(C(F)F)no1 ZINC001574756380 950602523 /nfs/dbraw/zinc/60/25/23/950602523.db2.gz ZNXMSFFWVNGMBI-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nc(C(F)F)no1 ZINC001574756380 950602531 /nfs/dbraw/zinc/60/25/31/950602531.db2.gz ZNXMSFFWVNGMBI-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574756296 950603247 /nfs/dbraw/zinc/60/32/47/950603247.db2.gz YPORESQWTPXWLX-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574756296 950603264 /nfs/dbraw/zinc/60/32/64/950603264.db2.gz YPORESQWTPXWLX-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H]1[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CN1CCOCC1 ZINC001575919039 950603722 /nfs/dbraw/zinc/60/37/22/950603722.db2.gz FPHAVTKTORQIST-GXTWGEPZSA-N -1 3 389.435 0.739 20 0 GCADHM C[C@H]1[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CN1CCOCC1 ZINC001575919039 950603736 /nfs/dbraw/zinc/60/37/36/950603736.db2.gz FPHAVTKTORQIST-GXTWGEPZSA-N -1 3 389.435 0.739 20 0 GCADHM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000417 950604234 /nfs/dbraw/zinc/60/42/34/950604234.db2.gz CQDCYNKJUKJFSM-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000417 950604245 /nfs/dbraw/zinc/60/42/45/950604245.db2.gz CQDCYNKJUKJFSM-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM CC1CCN(CC(=O)NC[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576208078 950607152 /nfs/dbraw/zinc/60/71/52/950607152.db2.gz MJVKYPQACSTQHZ-HDJSIYSDSA-N -1 3 385.476 0.695 20 0 GCADHM CC1(C)C(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1(C)C ZINC001575618452 950609553 /nfs/dbraw/zinc/60/95/53/950609553.db2.gz ITGMLTSQWWOTQA-VIFPVBQESA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1(C)C ZINC001575618452 950609578 /nfs/dbraw/zinc/60/95/78/950609578.db2.gz ITGMLTSQWWOTQA-VIFPVBQESA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1(C)C ZINC001575618565 950612416 /nfs/dbraw/zinc/61/24/16/950612416.db2.gz KFEWTTZXFAZXPG-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1(C)C ZINC001575618565 950612435 /nfs/dbraw/zinc/61/24/35/950612435.db2.gz KFEWTTZXFAZXPG-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1(C)C ZINC001575618564 950614916 /nfs/dbraw/zinc/61/49/16/950614916.db2.gz KFEWTTZXFAZXPG-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1(C)C ZINC001575618564 950614929 /nfs/dbraw/zinc/61/49/29/950614929.db2.gz KFEWTTZXFAZXPG-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575001180 950621200 /nfs/dbraw/zinc/62/12/00/950621200.db2.gz UXDBYSMJANFURM-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575001180 950621215 /nfs/dbraw/zinc/62/12/15/950621215.db2.gz UXDBYSMJANFURM-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCC(C)CC2)CCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001576209213 950621461 /nfs/dbraw/zinc/62/14/61/950621461.db2.gz YXBIBIWKFGPCQJ-KGLIPLIRSA-N -1 3 385.476 0.472 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574174153 950623377 /nfs/dbraw/zinc/62/33/77/950623377.db2.gz QQUHZEVYGOAJON-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574174153 950623403 /nfs/dbraw/zinc/62/34/03/950623403.db2.gz QQUHZEVYGOAJON-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1(C)C ZINC001575620322 950630736 /nfs/dbraw/zinc/63/07/36/950630736.db2.gz WCZQJDDEKLCLBO-VIFPVBQESA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1(C)C ZINC001575620322 950630751 /nfs/dbraw/zinc/63/07/51/950630751.db2.gz WCZQJDDEKLCLBO-VIFPVBQESA-N -1 3 375.433 0.084 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574759407 950638133 /nfs/dbraw/zinc/63/81/33/950638133.db2.gz CKWBOFABGPBLCS-SNVBAGLBSA-N -1 3 384.400 0.455 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574759407 950638144 /nfs/dbraw/zinc/63/81/44/950638144.db2.gz CKWBOFABGPBLCS-SNVBAGLBSA-N -1 3 384.400 0.455 20 0 GCADHM CCN1CCN(CCC(=O)N2C[C@@H](C(=O)[O-])C3(CC(C(=O)OC)C3)C2)CC1 ZINC001589744341 950648821 /nfs/dbraw/zinc/64/88/21/950648821.db2.gz QSFFFELTHDISBY-HVEKOLDVSA-N -1 3 381.473 0.126 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575002047 950648802 /nfs/dbraw/zinc/64/88/02/950648802.db2.gz YRXYVQLCTIOQHD-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575002047 950648813 /nfs/dbraw/zinc/64/88/13/950648813.db2.gz YRXYVQLCTIOQHD-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)on1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575002002 950649603 /nfs/dbraw/zinc/64/96/03/950649603.db2.gz YGVBAJOYMFTOHV-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)on1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575002002 950649619 /nfs/dbraw/zinc/64/96/19/950649619.db2.gz YGVBAJOYMFTOHV-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574518335 950650609 /nfs/dbraw/zinc/65/06/09/950650609.db2.gz NYGIAXDSNZGVDZ-OHTBPHCPSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574518335 950650625 /nfs/dbraw/zinc/65/06/25/950650625.db2.gz NYGIAXDSNZGVDZ-OHTBPHCPSA-N -1 3 387.444 0.777 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574175090 950652307 /nfs/dbraw/zinc/65/23/07/950652307.db2.gz MORRURSXIYPBHG-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574175090 950652321 /nfs/dbraw/zinc/65/23/21/950652321.db2.gz MORRURSXIYPBHG-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574518352 950655535 /nfs/dbraw/zinc/65/55/35/950655535.db2.gz ODHIFBXAFJZOEJ-FXPVBKGRSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574518352 950655548 /nfs/dbraw/zinc/65/55/48/950655548.db2.gz ODHIFBXAFJZOEJ-FXPVBKGRSA-N -1 3 391.411 0.154 20 0 GCADHM CC1(C)CC(C(=O)N2CCOC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575623932 950657693 /nfs/dbraw/zinc/65/76/93/950657693.db2.gz FKMYGKRYKBGTGP-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)N2CCOC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575623932 950657700 /nfs/dbraw/zinc/65/77/00/950657700.db2.gz FKMYGKRYKBGTGP-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574518746 950658628 /nfs/dbraw/zinc/65/86/28/950658628.db2.gz QTLONDRNSOTPNM-UTUOFQBUSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574518746 950658645 /nfs/dbraw/zinc/65/86/45/950658645.db2.gz QTLONDRNSOTPNM-UTUOFQBUSA-N -1 3 383.416 0.420 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575624217 950665774 /nfs/dbraw/zinc/66/57/74/950665774.db2.gz HRFDYZBFCTWURN-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575624217 950665785 /nfs/dbraw/zinc/66/57/85/950665785.db2.gz HRFDYZBFCTWURN-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574519038 950669015 /nfs/dbraw/zinc/66/90/15/950669015.db2.gz AQUPCULTFFDAMN-YPMHNXCESA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574519038 950669024 /nfs/dbraw/zinc/66/90/24/950669024.db2.gz AQUPCULTFFDAMN-YPMHNXCESA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574176435 950676012 /nfs/dbraw/zinc/67/60/12/950676012.db2.gz VYEZDSURMLVMHW-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574176435 950676023 /nfs/dbraw/zinc/67/60/23/950676023.db2.gz VYEZDSURMLVMHW-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574760671 950677772 /nfs/dbraw/zinc/67/77/72/950677772.db2.gz LATSQURNMRVHOR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574760671 950677780 /nfs/dbraw/zinc/67/77/80/950677780.db2.gz LATSQURNMRVHOR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncn1C ZINC001575925090 950680979 /nfs/dbraw/zinc/68/09/79/950680979.db2.gz GIFCVGHCPLWNBT-WCQYABFASA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccn(C)c1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574760784 950681782 /nfs/dbraw/zinc/68/17/82/950681782.db2.gz ZXLNQSZRXKRBCC-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccn(C)c1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574760784 950681802 /nfs/dbraw/zinc/68/18/02/950681802.db2.gz ZXLNQSZRXKRBCC-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccn(C)c1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574760785 950682125 /nfs/dbraw/zinc/68/21/25/950682125.db2.gz ZXLNQSZRXKRBCC-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccn(C)c1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574760785 950682138 /nfs/dbraw/zinc/68/21/38/950682138.db2.gz ZXLNQSZRXKRBCC-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H]1CCn2ncc(C(=O)NCCN(C)c3ncccc3-c3nnn[n-]3)c2C1 ZINC001576214854 950683870 /nfs/dbraw/zinc/68/38/70/950683870.db2.gz CWLWRQWVFOZRHH-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@H]1CCn2ncc(C(=O)NCCN(C)c3ncccc3-c3nn[n-]n3)c2C1 ZINC001576214854 950683888 /nfs/dbraw/zinc/68/38/88/950683888.db2.gz CWLWRQWVFOZRHH-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H]1[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575925369 950685027 /nfs/dbraw/zinc/68/50/27/950685027.db2.gz UMZLPBHZIIIVTK-ZWNOBZJWSA-N -1 3 387.419 0.933 20 0 GCADHM C[C@@H]1[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575925369 950685037 /nfs/dbraw/zinc/68/50/37/950685037.db2.gz UMZLPBHZIIIVTK-ZWNOBZJWSA-N -1 3 387.419 0.933 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575005427 950685398 /nfs/dbraw/zinc/68/53/98/950685398.db2.gz DSGDONWOCZWOFL-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575005427 950685406 /nfs/dbraw/zinc/68/54/06/950685406.db2.gz DSGDONWOCZWOFL-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573877000 950686231 /nfs/dbraw/zinc/68/62/31/950686231.db2.gz ZWYZWJWZZCMECX-GHMZBOCLSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573877000 950686245 /nfs/dbraw/zinc/68/62/45/950686245.db2.gz ZWYZWJWZZCMECX-GHMZBOCLSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574519747 950693145 /nfs/dbraw/zinc/69/31/45/950693145.db2.gz HWNZFBVRYYKHOP-LERXQTSPSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574519747 950693160 /nfs/dbraw/zinc/69/31/60/950693160.db2.gz HWNZFBVRYYKHOP-LERXQTSPSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574519885 950698340 /nfs/dbraw/zinc/69/83/40/950698340.db2.gz JLVDAEUGQHYAPN-MNOVXSKESA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574519885 950698356 /nfs/dbraw/zinc/69/83/56/950698356.db2.gz JLVDAEUGQHYAPN-MNOVXSKESA-N -1 3 377.449 0.474 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575005725 950698722 /nfs/dbraw/zinc/69/87/22/950698722.db2.gz LTKNLNXKCCSCIJ-KZULUSFZSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575005725 950698737 /nfs/dbraw/zinc/69/87/37/950698737.db2.gz LTKNLNXKCCSCIJ-KZULUSFZSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575005990 950707049 /nfs/dbraw/zinc/70/70/49/950707049.db2.gz PLUGJIAHLZLUKJ-LLVKDONJSA-N -1 3 383.416 0.495 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575005990 950707067 /nfs/dbraw/zinc/70/70/67/950707067.db2.gz PLUGJIAHLZLUKJ-LLVKDONJSA-N -1 3 383.416 0.495 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cccnn1)C1CC1 ZINC001575006017 950712984 /nfs/dbraw/zinc/71/29/84/950712984.db2.gz QFWPDANXIKRYOG-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cccnn1)C1CC1 ZINC001575006017 950713001 /nfs/dbraw/zinc/71/30/01/950713001.db2.gz QFWPDANXIKRYOG-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574763654 950725801 /nfs/dbraw/zinc/72/58/01/950725801.db2.gz HHTONKJIUYTOPA-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574763654 950725817 /nfs/dbraw/zinc/72/58/17/950725817.db2.gz HHTONKJIUYTOPA-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM CC1(C)CC(C(=O)NC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)C1 ZINC001575628825 950726965 /nfs/dbraw/zinc/72/69/65/950726965.db2.gz HVXFEQFCHIXAKT-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)C1 ZINC001575628825 950726976 /nfs/dbraw/zinc/72/69/76/950726976.db2.gz HVXFEQFCHIXAKT-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574763722 950730623 /nfs/dbraw/zinc/73/06/23/950730623.db2.gz IWMNYUOTHJDDEL-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574763722 950730632 /nfs/dbraw/zinc/73/06/32/950730632.db2.gz IWMNYUOTHJDDEL-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573879735 950730803 /nfs/dbraw/zinc/73/08/03/950730803.db2.gz KESGYKZXLVWMTE-HBJVGIJOSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573879735 950730813 /nfs/dbraw/zinc/73/08/13/950730813.db2.gz KESGYKZXLVWMTE-HBJVGIJOSA-N -1 3 387.444 0.179 20 0 GCADHM CC1(C)CC(C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575629091 950732325 /nfs/dbraw/zinc/73/23/25/950732325.db2.gz KYYGQUYJAYLYTG-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575629091 950732343 /nfs/dbraw/zinc/73/23/43/950732343.db2.gz KYYGQUYJAYLYTG-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574180957 950733778 /nfs/dbraw/zinc/73/37/78/950733778.db2.gz HBKYOECVMUQWDR-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574180957 950733792 /nfs/dbraw/zinc/73/37/92/950733792.db2.gz HBKYOECVMUQWDR-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575007043 950734849 /nfs/dbraw/zinc/73/48/49/950734849.db2.gz ZXNBZUDXWJDWTG-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575007043 950734864 /nfs/dbraw/zinc/73/48/64/950734864.db2.gz ZXNBZUDXWJDWTG-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574180963 950735720 /nfs/dbraw/zinc/73/57/20/950735720.db2.gz HCTIXAJMPMSQTM-BETUJISGSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575007946 950735763 /nfs/dbraw/zinc/73/57/63/950735763.db2.gz BGPBMJZSFLKSKO-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575007946 950735781 /nfs/dbraw/zinc/73/57/81/950735781.db2.gz BGPBMJZSFLKSKO-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574180963 950735735 /nfs/dbraw/zinc/73/57/35/950735735.db2.gz HCTIXAJMPMSQTM-BETUJISGSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574764162 950744641 /nfs/dbraw/zinc/74/46/41/950744641.db2.gz QHQKDVNMTCWVFY-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574764162 950744660 /nfs/dbraw/zinc/74/46/60/950744660.db2.gz QHQKDVNMTCWVFY-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1CCCOCC1 ZINC001575008461 950747922 /nfs/dbraw/zinc/74/79/22/950747922.db2.gz FJIUVNDJISFLHY-NEPJUHHUSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CCCOCC1 ZINC001575008461 950747939 /nfs/dbraw/zinc/74/79/39/950747939.db2.gz FJIUVNDJISFLHY-NEPJUHHUSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C1(C)CCOCC1 ZINC001575008514 950748860 /nfs/dbraw/zinc/74/88/60/950748860.db2.gz GBVQYJXLHJAXSX-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C1(C)CCOCC1 ZINC001575008514 950748874 /nfs/dbraw/zinc/74/88/74/950748874.db2.gz GBVQYJXLHJAXSX-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576216985 950751545 /nfs/dbraw/zinc/75/15/45/950751545.db2.gz FOWIINNNOBNFLC-KCJUWKMLSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576216985 950751562 /nfs/dbraw/zinc/75/15/62/950751562.db2.gz FOWIINNNOBNFLC-KCJUWKMLSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574764464 950752817 /nfs/dbraw/zinc/75/28/17/950752817.db2.gz UAHWZOGTSUOKFO-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574764464 950752832 /nfs/dbraw/zinc/75/28/32/950752832.db2.gz UAHWZOGTSUOKFO-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@H]1CCCOC1 ZINC001575008824 950757513 /nfs/dbraw/zinc/75/75/13/950757513.db2.gz ITZQWIOCDVEODC-CHWSQXEVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@H]1CCCOC1 ZINC001575008824 950757524 /nfs/dbraw/zinc/75/75/24/950757524.db2.gz ITZQWIOCDVEODC-CHWSQXEVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217400 950758455 /nfs/dbraw/zinc/75/84/55/950758455.db2.gz NJOOQPKTWAHMKV-ZJUUUORDSA-N -1 3 382.432 0.735 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574182764 950760940 /nfs/dbraw/zinc/76/09/40/950760940.db2.gz YJEYTLOCKFNMRF-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574182764 950760957 /nfs/dbraw/zinc/76/09/57/950760957.db2.gz YJEYTLOCKFNMRF-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575927916 950764402 /nfs/dbraw/zinc/76/44/02/950764402.db2.gz VZXVNTIZTKJIIP-ONGXEEELSA-N -1 3 380.416 0.972 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575008947 950765714 /nfs/dbraw/zinc/76/57/14/950765714.db2.gz KYSWOUBXAYKPCY-YYZJVYOOSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575008947 950765731 /nfs/dbraw/zinc/76/57/31/950765731.db2.gz KYSWOUBXAYKPCY-YYZJVYOOSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1ccnc1 ZINC001575928013 950768060 /nfs/dbraw/zinc/76/80/60/950768060.db2.gz XOFAPVJANZUTBA-CHWSQXEVSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1ccnc1 ZINC001575928013 950768075 /nfs/dbraw/zinc/76/80/75/950768075.db2.gz XOFAPVJANZUTBA-CHWSQXEVSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001575009083 950769308 /nfs/dbraw/zinc/76/93/08/950769308.db2.gz NGLXPPCFBUPZNR-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001575009083 950769324 /nfs/dbraw/zinc/76/93/24/950769324.db2.gz NGLXPPCFBUPZNR-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574765078 950772447 /nfs/dbraw/zinc/77/24/47/950772447.db2.gz DDMQCABNVKJLMQ-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575009123 950772930 /nfs/dbraw/zinc/77/29/30/950772930.db2.gz OBOVOFVVBCHRTP-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575009123 950772939 /nfs/dbraw/zinc/77/29/39/950772939.db2.gz OBOVOFVVBCHRTP-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNc1cc(Cl)c(=O)[nH]n1 ZINC001575009101 950773521 /nfs/dbraw/zinc/77/35/21/950773521.db2.gz NRXRCINKLCJMFQ-SSDOTTSWSA-N -1 3 377.796 0.822 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNc1cc(Cl)c(=O)[nH]n1 ZINC001575009101 950773533 /nfs/dbraw/zinc/77/35/33/950773533.db2.gz NRXRCINKLCJMFQ-SSDOTTSWSA-N -1 3 377.796 0.822 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H](C)C1CCOCC1 ZINC001575009106 950775069 /nfs/dbraw/zinc/77/50/69/950775069.db2.gz NSAPCZNCHLUVTC-VXGBXAGGSA-N -1 3 389.460 0.740 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H](C)C1CCOCC1 ZINC001575009106 950775088 /nfs/dbraw/zinc/77/50/88/950775088.db2.gz NSAPCZNCHLUVTC-VXGBXAGGSA-N -1 3 389.460 0.740 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C1CCC(O)CC1 ZINC001575009087 950775117 /nfs/dbraw/zinc/77/51/17/950775117.db2.gz NHCYJMAFWNQVAZ-UNXYVOJBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C1CCC(O)CC1 ZINC001575009087 950775141 /nfs/dbraw/zinc/77/51/41/950775141.db2.gz NHCYJMAFWNQVAZ-UNXYVOJBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001576217962 950776231 /nfs/dbraw/zinc/77/62/31/950776231.db2.gz PPIZNGZBQWKUIB-XHDPSFHLSA-N -1 3 381.444 0.903 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001576217962 950776246 /nfs/dbraw/zinc/77/62/46/950776246.db2.gz PPIZNGZBQWKUIB-XHDPSFHLSA-N -1 3 381.444 0.903 20 0 GCADHM CC(C)(C)c1cnc(CNC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001573884154 950785827 /nfs/dbraw/zinc/78/58/27/950785827.db2.gz KDNRCBGHGKUAMU-SNVBAGLBSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cnc(CNC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001573884154 950785856 /nfs/dbraw/zinc/78/58/56/950785856.db2.gz KDNRCBGHGKUAMU-SNVBAGLBSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)co1 ZINC001573884305 950792072 /nfs/dbraw/zinc/79/20/72/950792072.db2.gz CNKJZSOVYYJFRS-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)co1 ZINC001573884305 950792084 /nfs/dbraw/zinc/79/20/84/950792084.db2.gz CNKJZSOVYYJFRS-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)CC[C@H](C)NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574185058 950792900 /nfs/dbraw/zinc/79/29/00/950792900.db2.gz SFKDYYKZPVMQTR-LBPRGKRZSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)CC[C@H](C)NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574185058 950792915 /nfs/dbraw/zinc/79/29/15/950792915.db2.gz SFKDYYKZPVMQTR-LBPRGKRZSA-N -1 3 388.476 0.550 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001575009605 950793654 /nfs/dbraw/zinc/79/36/54/950793654.db2.gz VJMKFVVLQKKYTP-NWDGAFQWSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001575009605 950793664 /nfs/dbraw/zinc/79/36/64/950793664.db2.gz VJMKFVVLQKKYTP-NWDGAFQWSA-N -1 3 382.428 0.876 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575632304 950794562 /nfs/dbraw/zinc/79/45/62/950794562.db2.gz GWUKYJYFUYJDTE-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575632304 950794572 /nfs/dbraw/zinc/79/45/72/950794572.db2.gz GWUKYJYFUYJDTE-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573884533 950795360 /nfs/dbraw/zinc/79/53/60/950795360.db2.gz NHIOOEAVGKZBNN-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573884533 950795374 /nfs/dbraw/zinc/79/53/74/950795374.db2.gz NHIOOEAVGKZBNN-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nc(CNC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)no1 ZINC001573884573 950797226 /nfs/dbraw/zinc/79/72/26/950797226.db2.gz FRRDRVMHXGKSCU-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM CC(C)(C)c1nc(CNC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)no1 ZINC001573884573 950797234 /nfs/dbraw/zinc/79/72/34/950797234.db2.gz FRRDRVMHXGKSCU-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575931154 950799087 /nfs/dbraw/zinc/79/90/87/950799087.db2.gz HEAFSKZPYTZKGL-GZMMTYOYSA-N -1 3 385.363 0.612 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575931154 950799095 /nfs/dbraw/zinc/79/90/95/950799095.db2.gz HEAFSKZPYTZKGL-GZMMTYOYSA-N -1 3 385.363 0.612 20 0 GCADHM CC1(C)CC(CC(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575632483 950800449 /nfs/dbraw/zinc/80/04/49/950800449.db2.gz JHHDEVNTGUYPEW-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(CC(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575632483 950800468 /nfs/dbraw/zinc/80/04/68/950800468.db2.gz JHHDEVNTGUYPEW-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)C1 ZINC001575632492 950801720 /nfs/dbraw/zinc/80/17/20/950801720.db2.gz JVRPLZCCFGLXHA-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)C1 ZINC001575632492 950801738 /nfs/dbraw/zinc/80/17/38/950801738.db2.gz JVRPLZCCFGLXHA-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001573884577 950802278 /nfs/dbraw/zinc/80/22/78/950802278.db2.gz FTCADXZCDPXKRR-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001573884577 950802302 /nfs/dbraw/zinc/80/23/02/950802302.db2.gz FTCADXZCDPXKRR-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1nnn(C)n1 ZINC001575930706 950802867 /nfs/dbraw/zinc/80/28/67/950802867.db2.gz GMIKWKAYTXCUSD-XCBNKYQSSA-N -1 3 389.811 0.154 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1nnn(C)n1 ZINC001575930706 950802881 /nfs/dbraw/zinc/80/28/81/950802881.db2.gz GMIKWKAYTXCUSD-XCBNKYQSSA-N -1 3 389.811 0.154 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001573884941 950803603 /nfs/dbraw/zinc/80/36/03/950803603.db2.gz KGUCVZNXAIPAQA-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001573884941 950803622 /nfs/dbraw/zinc/80/36/22/950803622.db2.gz KGUCVZNXAIPAQA-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001573884730 950807577 /nfs/dbraw/zinc/80/75/77/950807577.db2.gz KETZCVMVBQFJCB-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001573884730 950807586 /nfs/dbraw/zinc/80/75/86/950807586.db2.gz KETZCVMVBQFJCB-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nccc(NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001573884721 950808520 /nfs/dbraw/zinc/80/85/20/950808520.db2.gz JYUGPRCLKSWNBQ-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nccc(NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001573884721 950808541 /nfs/dbraw/zinc/80/85/41/950808541.db2.gz JYUGPRCLKSWNBQ-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)C(=O)N1C[C@H](C)O[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576219637 950809614 /nfs/dbraw/zinc/80/96/14/950809614.db2.gz OQAMYTYKGLREJD-SGTLLEGYSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)C(=O)N1C[C@H](C)O[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576219637 950809641 /nfs/dbraw/zinc/80/96/41/950809641.db2.gz OQAMYTYKGLREJD-SGTLLEGYSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)COCC(F)F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574523120 950810446 /nfs/dbraw/zinc/81/04/46/950810446.db2.gz MDYDIMPYYMEMLB-DTWKUNHWSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)COCC(F)F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574523120 950810468 /nfs/dbraw/zinc/81/04/68/950810468.db2.gz MDYDIMPYYMEMLB-DTWKUNHWSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001575010126 950811929 /nfs/dbraw/zinc/81/19/29/950811929.db2.gz AYBNEYYLEVFQSX-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001573885067 950813501 /nfs/dbraw/zinc/81/35/01/950813501.db2.gz NQMLJLXVICYUJD-PHIMTYICSA-N -1 3 385.432 0.926 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001573885067 950813516 /nfs/dbraw/zinc/81/35/16/950813516.db2.gz NQMLJLXVICYUJD-PHIMTYICSA-N -1 3 385.432 0.926 20 0 GCADHM CC(C)CCCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574186674 950817045 /nfs/dbraw/zinc/81/70/45/950817045.db2.gz IAJOVXZRWYBWGS-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574186674 950817074 /nfs/dbraw/zinc/81/70/74/950817074.db2.gz IAJOVXZRWYBWGS-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574186676 950817942 /nfs/dbraw/zinc/81/79/42/950817942.db2.gz ICTPQVDXXPAMTF-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574186676 950817962 /nfs/dbraw/zinc/81/79/62/950817962.db2.gz ICTPQVDXXPAMTF-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574186543 950818580 /nfs/dbraw/zinc/81/85/80/950818580.db2.gz HILKYYFJVHHNJT-ZIAGYGMSSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574186543 950818604 /nfs/dbraw/zinc/81/86/04/950818604.db2.gz HILKYYFJVHHNJT-ZIAGYGMSSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001573885410 950820326 /nfs/dbraw/zinc/82/03/26/950820326.db2.gz RCTXBTQJHGAKAR-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001573885410 950820346 /nfs/dbraw/zinc/82/03/46/950820346.db2.gz RCTXBTQJHGAKAR-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576220074 950821733 /nfs/dbraw/zinc/82/17/33/950821733.db2.gz QHDWVUPHRNIRHY-JQWIXIFHSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576220074 950821755 /nfs/dbraw/zinc/82/17/55/950821755.db2.gz QHDWVUPHRNIRHY-JQWIXIFHSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)COCc3nncn3C)c(-c3nnn[n-]3)cc2C1 ZINC001576220202 950824241 /nfs/dbraw/zinc/82/42/41/950824241.db2.gz WDBOPBHMPVOMOR-SNVBAGLBSA-N -1 3 383.416 0.670 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)COCc3nncn3C)c(-c3nn[n-]n3)cc2C1 ZINC001576220202 950824263 /nfs/dbraw/zinc/82/42/63/950824263.db2.gz WDBOPBHMPVOMOR-SNVBAGLBSA-N -1 3 383.416 0.670 20 0 GCADHM C[C@H](CN(C)C(=O)c1nccnc1N)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574766809 950827419 /nfs/dbraw/zinc/82/74/19/950827419.db2.gz MLWHTIIPEFVCPQ-MRVPVSSYSA-N -1 3 388.823 0.860 20 0 GCADHM C[C@H](CN(C)C(=O)c1nccnc1N)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574766809 950827430 /nfs/dbraw/zinc/82/74/30/950827430.db2.gz MLWHTIIPEFVCPQ-MRVPVSSYSA-N -1 3 388.823 0.860 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)Cn1cnnn1 ZINC001575932824 950833554 /nfs/dbraw/zinc/83/35/54/950833554.db2.gz NBXIPSNCODYHHA-LDYMZIIASA-N -1 3 389.811 0.003 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cn1cnnn1 ZINC001575932824 950833577 /nfs/dbraw/zinc/83/35/77/950833577.db2.gz NBXIPSNCODYHHA-LDYMZIIASA-N -1 3 389.811 0.003 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574187435 950833982 /nfs/dbraw/zinc/83/39/82/950833982.db2.gz PKTUPBYRQFKDHL-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574187435 950833998 /nfs/dbraw/zinc/83/39/98/950833998.db2.gz PKTUPBYRQFKDHL-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001573885806 950835468 /nfs/dbraw/zinc/83/54/68/950835468.db2.gz UVHSSUQNFLAOIP-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001573885806 950835492 /nfs/dbraw/zinc/83/54/92/950835492.db2.gz UVHSSUQNFLAOIP-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573885872 950836194 /nfs/dbraw/zinc/83/61/94/950836194.db2.gz WBNIYIMDNOZTSU-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573885872 950836216 /nfs/dbraw/zinc/83/62/16/950836216.db2.gz WBNIYIMDNOZTSU-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001575010840 950837159 /nfs/dbraw/zinc/83/71/59/950837159.db2.gz JOYAIVVFXSKDNK-SNVBAGLBSA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001575010840 950837185 /nfs/dbraw/zinc/83/71/85/950837185.db2.gz JOYAIVVFXSKDNK-SNVBAGLBSA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573887432 950844470 /nfs/dbraw/zinc/84/44/70/950844470.db2.gz ARBSMOMBZBILNV-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573887432 950844511 /nfs/dbraw/zinc/84/45/11/950844511.db2.gz ARBSMOMBZBILNV-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1nsc(NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001573887463 950845671 /nfs/dbraw/zinc/84/56/71/950845671.db2.gz BZTCEUIPAVXHJU-MRVPVSSYSA-N -1 3 391.461 0.547 20 0 GCADHM CC(C)(C)c1nsc(NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001573887463 950845696 /nfs/dbraw/zinc/84/56/96/950845696.db2.gz BZTCEUIPAVXHJU-MRVPVSSYSA-N -1 3 391.461 0.547 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001573887446 950845929 /nfs/dbraw/zinc/84/59/29/950845929.db2.gz BBQXFTUPXJSLBM-VXGBXAGGSA-N -1 3 388.432 0.544 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001573887446 950845948 /nfs/dbraw/zinc/84/59/48/950845948.db2.gz BBQXFTUPXJSLBM-VXGBXAGGSA-N -1 3 388.432 0.544 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnoc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767292 950846874 /nfs/dbraw/zinc/84/68/74/950846874.db2.gz PNHGDBUCXUVSOU-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnoc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767292 950846887 /nfs/dbraw/zinc/84/68/87/950846887.db2.gz PNHGDBUCXUVSOU-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1ccnn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574524190 950850403 /nfs/dbraw/zinc/85/04/03/950850403.db2.gz USNASNFXHMHOOT-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1ccnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574524190 950850425 /nfs/dbraw/zinc/85/04/25/950850425.db2.gz USNASNFXHMHOOT-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCC[C@@H]1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767651 950864512 /nfs/dbraw/zinc/86/45/12/950864512.db2.gz PMODMPNNJPDVIH-OLZOCXBDSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574767684 950865834 /nfs/dbraw/zinc/86/58/34/950865834.db2.gz POJBAOJFKYSXBE-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767684 950865847 /nfs/dbraw/zinc/86/58/47/950865847.db2.gz POJBAOJFKYSXBE-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc(Cl)no1 ZINC001575011798 950866692 /nfs/dbraw/zinc/86/66/92/950866692.db2.gz SNFSFERTESLUSV-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc(Cl)no1 ZINC001575011798 950866711 /nfs/dbraw/zinc/86/67/11/950866711.db2.gz SNFSFERTESLUSV-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001574189240 950869987 /nfs/dbraw/zinc/86/99/87/950869987.db2.gz GJXWGFLPEQTHGO-IUODEOHRSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001574189240 950869994 /nfs/dbraw/zinc/86/99/94/950869994.db2.gz GJXWGFLPEQTHGO-IUODEOHRSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575011954 950873262 /nfs/dbraw/zinc/87/32/62/950873262.db2.gz UJORQRLXAOQDRD-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575011954 950873282 /nfs/dbraw/zinc/87/32/82/950873282.db2.gz UJORQRLXAOQDRD-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575011917 950874694 /nfs/dbraw/zinc/87/46/94/950874694.db2.gz UBFZRAVCLXXWKF-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575011917 950874712 /nfs/dbraw/zinc/87/47/12/950874712.db2.gz UBFZRAVCLXXWKF-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001575012082 950877059 /nfs/dbraw/zinc/87/70/59/950877059.db2.gz VYYFHEYBKTXBSX-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001575012082 950877077 /nfs/dbraw/zinc/87/70/77/950877077.db2.gz VYYFHEYBKTXBSX-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cnoc1C1CC1 ZINC001575012107 950877857 /nfs/dbraw/zinc/87/78/57/950877857.db2.gz WNKAVEWPQLBYLW-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cnoc1C1CC1 ZINC001575012107 950877866 /nfs/dbraw/zinc/87/78/66/950877866.db2.gz WNKAVEWPQLBYLW-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574527156 950878466 /nfs/dbraw/zinc/87/84/66/950878466.db2.gz AGAXNJDKHGKFOS-SFYZADRCSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574527156 950878486 /nfs/dbraw/zinc/87/84/86/950878486.db2.gz AGAXNJDKHGKFOS-SFYZADRCSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCCC[C@H]1C ZINC001575012323 950883088 /nfs/dbraw/zinc/88/30/88/950883088.db2.gz YSJQLCFCUPQIIG-CHWSQXEVSA-N -1 3 388.476 0.646 20 0 GCADHM CC(C)CCCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574189494 950883983 /nfs/dbraw/zinc/88/39/83/950883983.db2.gz LXIUPRQIZZPGQY-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574189494 950883997 /nfs/dbraw/zinc/88/39/97/950883997.db2.gz LXIUPRQIZZPGQY-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574768292 950884922 /nfs/dbraw/zinc/88/49/22/950884922.db2.gz TVPVELJUBSIPJU-SNVBAGLBSA-N -1 3 385.436 0.576 20 0 GCADHM C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574768292 950884938 /nfs/dbraw/zinc/88/49/38/950884938.db2.gz TVPVELJUBSIPJU-SNVBAGLBSA-N -1 3 385.436 0.576 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001573893450 950885799 /nfs/dbraw/zinc/88/57/99/950885799.db2.gz GOBIKLZZGFWEJT-SNVBAGLBSA-N -1 3 383.420 0.012 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001573893450 950885811 /nfs/dbraw/zinc/88/58/11/950885811.db2.gz GOBIKLZZGFWEJT-SNVBAGLBSA-N -1 3 383.420 0.012 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576226502 950888274 /nfs/dbraw/zinc/88/82/74/950888274.db2.gz BWWGSQGYFPMKEM-FZMZJTMJSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576226502 950888288 /nfs/dbraw/zinc/88/82/88/950888288.db2.gz BWWGSQGYFPMKEM-FZMZJTMJSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575012576 950888669 /nfs/dbraw/zinc/88/86/69/950888669.db2.gz ZUGVFTOTXRCLCW-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575012576 950888688 /nfs/dbraw/zinc/88/86/88/950888688.db2.gz ZUGVFTOTXRCLCW-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575935756 950892823 /nfs/dbraw/zinc/89/28/23/950892823.db2.gz BECGRRSCACNNPA-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575935756 950892843 /nfs/dbraw/zinc/89/28/43/950892843.db2.gz BECGRRSCACNNPA-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1Cc2ccncc2C1 ZINC001575014167 950898310 /nfs/dbraw/zinc/89/83/10/950898310.db2.gz FIXGIBLEPMVXLT-PWSUYJOCSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1Cc2ccncc2C1 ZINC001575014167 950898326 /nfs/dbraw/zinc/89/83/26/950898326.db2.gz FIXGIBLEPMVXLT-PWSUYJOCSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575935929 950900579 /nfs/dbraw/zinc/90/05/79/950900579.db2.gz CEGSBQNDFMFPEH-CMPLNLGQSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575935929 950900591 /nfs/dbraw/zinc/90/05/91/950900591.db2.gz CEGSBQNDFMFPEH-CMPLNLGQSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1Cc2ccncc2C1 ZINC001575014165 950901032 /nfs/dbraw/zinc/90/10/32/950901032.db2.gz FIXGIBLEPMVXLT-CMPLNLGQSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1Cc2ccncc2C1 ZINC001575014165 950901054 /nfs/dbraw/zinc/90/10/54/950901054.db2.gz FIXGIBLEPMVXLT-CMPLNLGQSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cc(C2CC2)no1 ZINC001575014107 950901158 /nfs/dbraw/zinc/90/11/58/950901158.db2.gz DDUBVROPDAKROK-SECBINFHSA-N -1 3 384.400 0.537 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cc(C2CC2)no1 ZINC001575014107 950901180 /nfs/dbraw/zinc/90/11/80/950901180.db2.gz DDUBVROPDAKROK-SECBINFHSA-N -1 3 384.400 0.537 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573893768 950902586 /nfs/dbraw/zinc/90/25/86/950902586.db2.gz VOEIARXWNAGPHM-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573893768 950902601 /nfs/dbraw/zinc/90/26/01/950902601.db2.gz VOEIARXWNAGPHM-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCC[C@H]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768869 950905472 /nfs/dbraw/zinc/90/54/72/950905472.db2.gz WVWMJAIZKCMQTE-CHWSQXEVSA-N -1 3 388.476 0.646 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001573893885 950908800 /nfs/dbraw/zinc/90/88/00/950908800.db2.gz AJJLNQUZUNRUQN-LLVKDONJSA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001573893885 950908817 /nfs/dbraw/zinc/90/88/17/950908817.db2.gz AJJLNQUZUNRUQN-LLVKDONJSA-N -1 3 382.432 0.617 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c(F)cncc1F ZINC001575014708 950910041 /nfs/dbraw/zinc/91/00/41/950910041.db2.gz IDRWDMOSBWRAAT-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c(F)cncc1F ZINC001575014708 950910053 /nfs/dbraw/zinc/91/00/53/950910053.db2.gz IDRWDMOSBWRAAT-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893948 950912931 /nfs/dbraw/zinc/91/29/31/950912931.db2.gz DVRREXUINZUMTD-LBPRGKRZSA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893948 950912945 /nfs/dbraw/zinc/91/29/45/950912945.db2.gz DVRREXUINZUMTD-LBPRGKRZSA-N -1 3 382.432 0.617 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001590347435 950916925 /nfs/dbraw/zinc/91/69/25/950916925.db2.gz SZMAKHILCNAZSK-CABZTGNLSA-N -1 3 391.364 0.623 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccn2ccnc2c1 ZINC001575015024 950920574 /nfs/dbraw/zinc/92/05/74/950920574.db2.gz LWQKJONUFMIGSJ-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccn2ccnc2c1 ZINC001575015024 950920589 /nfs/dbraw/zinc/92/05/89/950920589.db2.gz LWQKJONUFMIGSJ-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576227912 950923653 /nfs/dbraw/zinc/92/36/53/950923653.db2.gz FMSZRUNCOVVUJP-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576227912 950923661 /nfs/dbraw/zinc/92/36/61/950923661.db2.gz FMSZRUNCOVVUJP-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)CCn1cncn1 ZINC001574771540 950925670 /nfs/dbraw/zinc/92/56/70/950925670.db2.gz FZYUONUOGDUDKJ-GFCCVEGCSA-N -1 3 387.423 0.624 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1COc2ccccc21 ZINC001575015344 950928002 /nfs/dbraw/zinc/92/80/02/950928002.db2.gz PMHBNHVKIIQOOE-PWSUYJOCSA-N -1 3 381.396 0.606 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1COc2ccccc21 ZINC001575015344 950928020 /nfs/dbraw/zinc/92/80/20/950928020.db2.gz PMHBNHVKIIQOOE-PWSUYJOCSA-N -1 3 381.396 0.606 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001573894741 950936561 /nfs/dbraw/zinc/93/65/61/950936561.db2.gz ZGFGMNMUEGWRMS-LLVKDONJSA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001573894741 950936574 /nfs/dbraw/zinc/93/65/74/950936574.db2.gz ZGFGMNMUEGWRMS-LLVKDONJSA-N -1 3 382.432 0.617 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574528557 950938606 /nfs/dbraw/zinc/93/86/06/950938606.db2.gz NDHIKQZQSYHULA-JGVFFNPUSA-N -1 3 390.429 0.684 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574528557 950938615 /nfs/dbraw/zinc/93/86/15/950938615.db2.gz NDHIKQZQSYHULA-JGVFFNPUSA-N -1 3 390.429 0.684 20 0 GCADHM C[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576228555 950943041 /nfs/dbraw/zinc/94/30/41/950943041.db2.gz KPEMHXGONGTERT-WDEREUQCSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576228555 950943060 /nfs/dbraw/zinc/94/30/60/950943060.db2.gz KPEMHXGONGTERT-WDEREUQCSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575937336 950945607 /nfs/dbraw/zinc/94/56/07/950945607.db2.gz KIMMVZUMHSTVGN-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575937336 950945629 /nfs/dbraw/zinc/94/56/29/950945629.db2.gz KIMMVZUMHSTVGN-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C(F)F)ncn1 ZINC001575015648 950945923 /nfs/dbraw/zinc/94/59/23/950945923.db2.gz UFQHCLSJVAQBTM-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C(F)F)ncn1 ZINC001575015648 950945933 /nfs/dbraw/zinc/94/59/33/950945933.db2.gz UFQHCLSJVAQBTM-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575642509 950945939 /nfs/dbraw/zinc/94/59/39/950945939.db2.gz HXSJKDSREFNYAD-KZULUSFZSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575642509 950945951 /nfs/dbraw/zinc/94/59/51/950945951.db2.gz HXSJKDSREFNYAD-KZULUSFZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575015769 950948717 /nfs/dbraw/zinc/94/87/17/950948717.db2.gz WESOOISNTSDJHF-UWVGGRQHSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001575015753 950951203 /nfs/dbraw/zinc/95/12/03/950951203.db2.gz WESFFROJZITAIR-BONVTDFDSA-N -1 3 381.396 0.433 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001575015753 950951223 /nfs/dbraw/zinc/95/12/23/950951223.db2.gz WESFFROJZITAIR-BONVTDFDSA-N -1 3 381.396 0.433 20 0 GCADHM CC(C)(CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573896872 950952390 /nfs/dbraw/zinc/95/23/90/950952390.db2.gz KTSJMVPYNRNWCJ-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573896872 950952405 /nfs/dbraw/zinc/95/24/05/950952405.db2.gz KTSJMVPYNRNWCJ-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573897451 950962727 /nfs/dbraw/zinc/96/27/27/950962727.db2.gz POGFPHCRBHXYEI-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573897451 950962748 /nfs/dbraw/zinc/96/27/48/950962748.db2.gz POGFPHCRBHXYEI-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001575643261 950966277 /nfs/dbraw/zinc/96/62/77/950966277.db2.gz LBCJYYMSRQJRKW-NEPJUHHUSA-N -1 3 385.428 0.341 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001575643261 950966295 /nfs/dbraw/zinc/96/62/95/950966295.db2.gz LBCJYYMSRQJRKW-NEPJUHHUSA-N -1 3 385.428 0.341 20 0 GCADHM CC1CC(C(=O)N(C)C[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575938028 950967002 /nfs/dbraw/zinc/96/70/02/950967002.db2.gz ILFNRHWVLAQEEO-XIVSLSHWSA-N -1 3 375.433 0.132 20 0 GCADHM CC1CC(C(=O)N(C)C[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575938028 950967017 /nfs/dbraw/zinc/96/70/17/950967017.db2.gz ILFNRHWVLAQEEO-XIVSLSHWSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCS(C)(=O)=O ZINC001575938075 950970619 /nfs/dbraw/zinc/97/06/19/950970619.db2.gz MOIZHBDUWIFIPA-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575938075 950970633 /nfs/dbraw/zinc/97/06/33/950970633.db2.gz MOIZHBDUWIFIPA-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn2c(n1)CCCC2 ZINC001575017023 950972739 /nfs/dbraw/zinc/97/27/39/950972739.db2.gz GFRPXAHGNQZKTF-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn2c(n1)CCCC2 ZINC001575017023 950972751 /nfs/dbraw/zinc/97/27/51/950972751.db2.gz GFRPXAHGNQZKTF-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn2c(n1)CCCC2 ZINC001575017024 950974211 /nfs/dbraw/zinc/97/42/11/950974211.db2.gz GFRPXAHGNQZKTF-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn2c(n1)CCCC2 ZINC001575017024 950974236 /nfs/dbraw/zinc/97/42/36/950974236.db2.gz GFRPXAHGNQZKTF-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@H]1CO[C@H](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575938401 950975996 /nfs/dbraw/zinc/97/59/96/950975996.db2.gz KXBUZEMEANAUDA-CHWSQXEVSA-N -1 3 389.460 0.929 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@H]1CO[C@H](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575938401 950976024 /nfs/dbraw/zinc/97/60/24/950976024.db2.gz KXBUZEMEANAUDA-CHWSQXEVSA-N -1 3 389.460 0.929 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1coc(CC2CC2)n1 ZINC001575017210 950980878 /nfs/dbraw/zinc/98/08/78/950980878.db2.gz HTAWYTWMTFQHFP-VIFPVBQESA-N -1 3 384.400 0.684 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1coc(CC2CC2)n1 ZINC001575017210 950980895 /nfs/dbraw/zinc/98/08/95/950980895.db2.gz HTAWYTWMTFQHFP-VIFPVBQESA-N -1 3 384.400 0.684 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575017239 950982154 /nfs/dbraw/zinc/98/21/54/950982154.db2.gz CCSHFFIWTOKGSI-MRVPVSSYSA-N -1 3 389.807 0.889 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575017239 950982170 /nfs/dbraw/zinc/98/21/70/950982170.db2.gz CCSHFFIWTOKGSI-MRVPVSSYSA-N -1 3 389.807 0.889 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccon1 ZINC001574530647 950990870 /nfs/dbraw/zinc/99/08/70/950990870.db2.gz DAQGMGXOZUHAAK-MNOVXSKESA-N -1 3 386.416 0.829 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccon1 ZINC001574530647 950990880 /nfs/dbraw/zinc/99/08/80/950990880.db2.gz DAQGMGXOZUHAAK-MNOVXSKESA-N -1 3 386.416 0.829 20 0 GCADHM CC(C)(CC(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573900019 950994888 /nfs/dbraw/zinc/99/48/88/950994888.db2.gz PNVSLLODPZVMLW-GHMZBOCLSA-N -1 3 397.386 0.178 20 0 GCADHM CC(C)(CC(F)F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573900019 950994910 /nfs/dbraw/zinc/99/49/10/950994910.db2.gz PNVSLLODPZVMLW-GHMZBOCLSA-N -1 3 397.386 0.178 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cnns1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574530765 950996933 /nfs/dbraw/zinc/99/69/33/950996933.db2.gz WSEFPCWYBXUHAD-YUMQZZPRSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cnns1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530765 950996947 /nfs/dbraw/zinc/99/69/47/950996947.db2.gz WSEFPCWYBXUHAD-YUMQZZPRSA-N -1 3 375.418 0.373 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)C1CC1 ZINC001573900177 950997330 /nfs/dbraw/zinc/99/73/30/950997330.db2.gz STINVBNWOXCOIP-ZIAGYGMSSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)C1CC1 ZINC001573900177 950997351 /nfs/dbraw/zinc/99/73/51/950997351.db2.gz STINVBNWOXCOIP-ZIAGYGMSSA-N -1 3 389.435 0.893 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575644987 950997624 /nfs/dbraw/zinc/99/76/24/950997624.db2.gz YRCJIZBZFHRGFH-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575644987 950997643 /nfs/dbraw/zinc/99/76/43/950997643.db2.gz YRCJIZBZFHRGFH-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575644996 951000698 /nfs/dbraw/zinc/00/06/98/951000698.db2.gz YURYRONPGKZGPO-GFCCVEGCSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575644996 951000717 /nfs/dbraw/zinc/00/07/17/951000717.db2.gz YURYRONPGKZGPO-GFCCVEGCSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CN(C)Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574774068 951003624 /nfs/dbraw/zinc/00/36/24/951003624.db2.gz BTRKIADELXGCGL-WFASDCNBSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001573900257 951004766 /nfs/dbraw/zinc/00/47/66/951004766.db2.gz XCFCUIUAFISQNG-NEPJUHHUSA-N -1 3 399.377 0.906 20 0 GCADHM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001573900257 951004786 /nfs/dbraw/zinc/00/47/86/951004786.db2.gz XCFCUIUAFISQNG-NEPJUHHUSA-N -1 3 399.377 0.906 20 0 GCADHM C[C@H](CN(C)Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574774590 951009391 /nfs/dbraw/zinc/00/93/91/951009391.db2.gz DHSNUOBQZMONPW-GFCCVEGCSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CN(C)Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574774590 951009409 /nfs/dbraw/zinc/00/94/09/951009409.db2.gz DHSNUOBQZMONPW-GFCCVEGCSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575017829 951012728 /nfs/dbraw/zinc/01/27/28/951012728.db2.gz KHIAPWDGJVGNAB-NSHDSACASA-N -1 3 385.403 0.959 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575017829 951012744 /nfs/dbraw/zinc/01/27/44/951012744.db2.gz KHIAPWDGJVGNAB-NSHDSACASA-N -1 3 385.403 0.959 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575018147 951013876 /nfs/dbraw/zinc/01/38/76/951013876.db2.gz LLRUEROEFATSJU-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575018147 951013892 /nfs/dbraw/zinc/01/38/92/951013892.db2.gz LLRUEROEFATSJU-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc2n[nH]cc2c1 ZINC001575018452 951022735 /nfs/dbraw/zinc/02/27/35/951022735.db2.gz QEZVKMLWKWLYTQ-QMMMGPOBSA-N -1 3 380.372 0.014 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc2n[nH]cc2c1 ZINC001575018452 951022749 /nfs/dbraw/zinc/02/27/49/951022749.db2.gz QEZVKMLWKWLYTQ-QMMMGPOBSA-N -1 3 380.372 0.014 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575018705 951023540 /nfs/dbraw/zinc/02/35/40/951023540.db2.gz OYQRKNPVDRMSQU-MRVPVSSYSA-N -1 3 387.379 0.306 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575018705 951023551 /nfs/dbraw/zinc/02/35/51/951023551.db2.gz OYQRKNPVDRMSQU-MRVPVSSYSA-N -1 3 387.379 0.306 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575019032 951029866 /nfs/dbraw/zinc/02/98/66/951029866.db2.gz PVCNUVQOXGGQCG-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575019032 951029878 /nfs/dbraw/zinc/02/98/78/951029878.db2.gz PVCNUVQOXGGQCG-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575019031 951030239 /nfs/dbraw/zinc/03/02/39/951030239.db2.gz PVCNUVQOXGGQCG-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575019031 951030254 /nfs/dbraw/zinc/03/02/54/951030254.db2.gz PVCNUVQOXGGQCG-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575019049 951030857 /nfs/dbraw/zinc/03/08/57/951030857.db2.gz QBKIAPUDTRZDTI-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575019049 951030870 /nfs/dbraw/zinc/03/08/70/951030870.db2.gz QBKIAPUDTRZDTI-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575019676 951042087 /nfs/dbraw/zinc/04/20/87/951042087.db2.gz UVMSEBICGFKTGR-JTQLQIEISA-N -1 3 386.391 0.752 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575019676 951042100 /nfs/dbraw/zinc/04/21/00/951042100.db2.gz UVMSEBICGFKTGR-JTQLQIEISA-N -1 3 386.391 0.752 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ncccc1-c1nnn[n-]1 ZINC001575021591 951065333 /nfs/dbraw/zinc/06/53/33/951065333.db2.gz DLNGJDPKBYVZMD-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ncccc1-c1nn[n-]n1 ZINC001575021591 951065351 /nfs/dbraw/zinc/06/53/51/951065351.db2.gz DLNGJDPKBYVZMD-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM CCOC(=O)c1ccc(CS(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001591170667 951078609 /nfs/dbraw/zinc/07/86/09/951078609.db2.gz NFOAKHAAXLOHQD-UHFFFAOYSA-N -1 3 384.454 0.832 20 0 GCADHM C[C@H](CNC(=O)c1ccc2n[nH]nc2c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024675 951112945 /nfs/dbraw/zinc/11/29/45/951112945.db2.gz KKXMKKKKYZBGHU-SECBINFHSA-N -1 3 379.388 0.183 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(c1)nnn2C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575024862 951117860 /nfs/dbraw/zinc/11/78/60/951117860.db2.gz OHZJSDGSHOWTLK-SNVBAGLBSA-N -1 3 378.400 0.774 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(c1)nnn2C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575024862 951117869 /nfs/dbraw/zinc/11/78/69/951117869.db2.gz OHZJSDGSHOWTLK-SNVBAGLBSA-N -1 3 378.400 0.774 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575024952 951120061 /nfs/dbraw/zinc/12/00/61/951120061.db2.gz QHAXXYITGLTGNB-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575024952 951120064 /nfs/dbraw/zinc/12/00/64/951120064.db2.gz QHAXXYITGLTGNB-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575025384 951130664 /nfs/dbraw/zinc/13/06/64/951130664.db2.gz YRPIYNRRPCQAFN-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575025384 951130669 /nfs/dbraw/zinc/13/06/69/951130669.db2.gz YRPIYNRRPCQAFN-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nncn2c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575025835 951134053 /nfs/dbraw/zinc/13/40/53/951134053.db2.gz BRDJCMOKAOUHFH-VIFPVBQESA-N -1 3 382.363 0.674 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nncn2c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575025835 951134060 /nfs/dbraw/zinc/13/40/60/951134060.db2.gz BRDJCMOKAOUHFH-VIFPVBQESA-N -1 3 382.363 0.674 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)Nc1ncccc1-c1nnn[n-]1 ZINC001575025940 951134878 /nfs/dbraw/zinc/13/48/78/951134878.db2.gz CYWPXPMUIRACHS-VIFPVBQESA-N -1 3 380.372 0.240 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)Nc1ncccc1-c1nn[n-]n1 ZINC001575025940 951134884 /nfs/dbraw/zinc/13/48/84/951134884.db2.gz CYWPXPMUIRACHS-VIFPVBQESA-N -1 3 380.372 0.240 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575026189 951137723 /nfs/dbraw/zinc/13/77/23/951137723.db2.gz GDUOPQNJNBDUDC-NSHDSACASA-N -1 3 380.412 0.615 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575026189 951137727 /nfs/dbraw/zinc/13/77/27/951137727.db2.gz GDUOPQNJNBDUDC-NSHDSACASA-N -1 3 380.412 0.615 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nnn(C)c2c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575026231 951140684 /nfs/dbraw/zinc/14/06/84/951140684.db2.gz HFTTYSVBMPZQSG-SNVBAGLBSA-N -1 3 378.400 0.774 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nnn(C)c2c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575026231 951140690 /nfs/dbraw/zinc/14/06/90/951140690.db2.gz HFTTYSVBMPZQSG-SNVBAGLBSA-N -1 3 378.400 0.774 20 0 GCADHM C[C@H](CNC(=O)c1cccc(CN(C)C)c1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575026226 951141581 /nfs/dbraw/zinc/14/15/81/951141581.db2.gz HCPXNFGTBFJDBO-GFCCVEGCSA-N -1 3 381.444 0.371 20 0 GCADHM C[C@H](CNC(=O)c1cccc(N(C)C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575027570 951160305 /nfs/dbraw/zinc/16/03/05/951160305.db2.gz GHIJKOAGZDAZLT-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1cccc(N(C)C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575027570 951160312 /nfs/dbraw/zinc/16/03/12/951160312.db2.gz GHIJKOAGZDAZLT-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575028078 951167685 /nfs/dbraw/zinc/16/76/85/951167685.db2.gz UOLJPFGNAIJNLO-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575028078 951167691 /nfs/dbraw/zinc/16/76/91/951167691.db2.gz UOLJPFGNAIJNLO-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575028243 951171766 /nfs/dbraw/zinc/17/17/66/951171766.db2.gz MUUHSIMQSPFDEA-JTQLQIEISA-N -1 3 381.400 0.983 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575028243 951171775 /nfs/dbraw/zinc/17/17/75/951171775.db2.gz MUUHSIMQSPFDEA-JTQLQIEISA-N -1 3 381.400 0.983 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2nccn21)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575029051 951181142 /nfs/dbraw/zinc/18/11/42/951181142.db2.gz RMBZAYVOWBDKDL-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2nccn21)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575029051 951181147 /nfs/dbraw/zinc/18/11/47/951181147.db2.gz RMBZAYVOWBDKDL-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@](CNC(=O)c1cccnn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575032296 951221368 /nfs/dbraw/zinc/22/13/68/951221368.db2.gz WMXHZFPCAIUFQQ-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cccnn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575032296 951221377 /nfs/dbraw/zinc/22/13/77/951221377.db2.gz WMXHZFPCAIUFQQ-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1N(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575032536 951225941 /nfs/dbraw/zinc/22/59/41/951225941.db2.gz ZQWGYMBZULCKPE-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575032536 951225951 /nfs/dbraw/zinc/22/59/51/951225951.db2.gz ZQWGYMBZULCKPE-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1N(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575032504 951226167 /nfs/dbraw/zinc/22/61/67/951226167.db2.gz ZEJZSPRUCOCRRH-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575032504 951226177 /nfs/dbraw/zinc/22/61/77/951226177.db2.gz ZEJZSPRUCOCRRH-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575033867 951233081 /nfs/dbraw/zinc/23/30/81/951233081.db2.gz DASYZFMAWJUEFG-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575033867 951233090 /nfs/dbraw/zinc/23/30/90/951233090.db2.gz DASYZFMAWJUEFG-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc2n[nH]nc21)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575033932 951233276 /nfs/dbraw/zinc/23/32/76/951233276.db2.gz DYTWCPGEUGVJKY-SECBINFHSA-N -1 3 379.388 0.406 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc2n[nH]nc21)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575033932 951233286 /nfs/dbraw/zinc/23/32/86/951233286.db2.gz DYTWCPGEUGVJKY-SECBINFHSA-N -1 3 379.388 0.406 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575034624 951255385 /nfs/dbraw/zinc/25/53/85/951255385.db2.gz OXELNSTUFFXHRN-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575034624 951255396 /nfs/dbraw/zinc/25/53/96/951255396.db2.gz OXELNSTUFFXHRN-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@](CNC(=O)c1ccncc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575035308 951273581 /nfs/dbraw/zinc/27/35/81/951273581.db2.gz VYSICJJHUTUMKJ-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1ccncc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575035308 951273596 /nfs/dbraw/zinc/27/35/96/951273596.db2.gz VYSICJJHUTUMKJ-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575035619 951278864 /nfs/dbraw/zinc/27/88/64/951278864.db2.gz ZLGUTNZRBJDHGH-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575035619 951278882 /nfs/dbraw/zinc/27/88/82/951278882.db2.gz ZLGUTNZRBJDHGH-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575035753 951283490 /nfs/dbraw/zinc/28/34/90/951283490.db2.gz KNVISQOVSNDQCJ-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575035753 951283502 /nfs/dbraw/zinc/28/35/02/951283502.db2.gz KNVISQOVSNDQCJ-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575036917 951305502 /nfs/dbraw/zinc/30/55/02/951305502.db2.gz YRCSUOCJFIRRAU-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575036917 951305514 /nfs/dbraw/zinc/30/55/14/951305514.db2.gz YRCSUOCJFIRRAU-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001575036936 951305755 /nfs/dbraw/zinc/30/57/55/951305755.db2.gz YYXVCTXUZGORHT-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001575036936 951305773 /nfs/dbraw/zinc/30/57/73/951305773.db2.gz YYXVCTXUZGORHT-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001575039190 951328089 /nfs/dbraw/zinc/32/80/89/951328089.db2.gz OOIMTLOAOLOPBJ-SNVBAGLBSA-N -1 3 386.420 0.163 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001575039190 951328102 /nfs/dbraw/zinc/32/81/02/951328102.db2.gz OOIMTLOAOLOPBJ-SNVBAGLBSA-N -1 3 386.420 0.163 20 0 GCADHM C[C@@](CNC(=O)c1ccsn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575039683 951331774 /nfs/dbraw/zinc/33/17/74/951331774.db2.gz RMVAMZQEIUJECX-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1ccsn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575039683 951331784 /nfs/dbraw/zinc/33/17/84/951331784.db2.gz RMVAMZQEIUJECX-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575039616 951331861 /nfs/dbraw/zinc/33/18/61/951331861.db2.gz QQTPHUPWJNVVLF-JTQLQIEISA-N -1 3 384.400 0.137 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575039616 951331875 /nfs/dbraw/zinc/33/18/75/951331875.db2.gz QQTPHUPWJNVVLF-JTQLQIEISA-N -1 3 384.400 0.137 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575039716 951336708 /nfs/dbraw/zinc/33/67/08/951336708.db2.gz SGQHASABOXAKAO-NSHDSACASA-N -1 3 384.448 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575039716 951336719 /nfs/dbraw/zinc/33/67/19/951336719.db2.gz SGQHASABOXAKAO-NSHDSACASA-N -1 3 384.448 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001575040389 951342857 /nfs/dbraw/zinc/34/28/57/951342857.db2.gz WGDVTWATGHPDLP-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001575040389 951342867 /nfs/dbraw/zinc/34/28/67/951342867.db2.gz WGDVTWATGHPDLP-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCC2)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575042159 951356440 /nfs/dbraw/zinc/35/64/40/951356440.db2.gz GPTNESYUTIGFOA-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCC2)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575042159 951356454 /nfs/dbraw/zinc/35/64/54/951356454.db2.gz GPTNESYUTIGFOA-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575042209 951358683 /nfs/dbraw/zinc/35/86/83/951358683.db2.gz HFKUXZDNYBJUDA-LLVKDONJSA-N -1 3 382.432 0.833 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575042209 951358702 /nfs/dbraw/zinc/35/87/02/951358702.db2.gz HFKUXZDNYBJUDA-LLVKDONJSA-N -1 3 382.432 0.833 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575042753 951369673 /nfs/dbraw/zinc/36/96/73/951369673.db2.gz MVVBNHQUOKUYBS-SSDOTTSWSA-N -1 3 377.796 0.585 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575042876 951372500 /nfs/dbraw/zinc/37/25/00/951372500.db2.gz MWRLRAXHDURTOC-QMMMGPOBSA-N -1 3 388.363 0.036 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575042876 951372510 /nfs/dbraw/zinc/37/25/10/951372510.db2.gz MWRLRAXHDURTOC-QMMMGPOBSA-N -1 3 388.363 0.036 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575043068 951381161 /nfs/dbraw/zinc/38/11/61/951381161.db2.gz NZMLOSFMMZITOT-LLVKDONJSA-N -1 3 382.432 0.833 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575043068 951381169 /nfs/dbraw/zinc/38/11/69/951381169.db2.gz NZMLOSFMMZITOT-LLVKDONJSA-N -1 3 382.432 0.833 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575043155 951383044 /nfs/dbraw/zinc/38/30/44/951383044.db2.gz GHDGHTDPJDDWJQ-SECBINFHSA-N -1 3 386.395 0.487 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575043155 951383058 /nfs/dbraw/zinc/38/30/58/951383058.db2.gz GHDGHTDPJDDWJQ-SECBINFHSA-N -1 3 386.395 0.487 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575043361 951389643 /nfs/dbraw/zinc/38/96/43/951389643.db2.gz QZAPEIFFCUIAOJ-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575043361 951389660 /nfs/dbraw/zinc/38/96/60/951389660.db2.gz QZAPEIFFCUIAOJ-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575043542 951396211 /nfs/dbraw/zinc/39/62/11/951396211.db2.gz UAYZREMIQOYDON-MRVPVSSYSA-N -1 3 375.368 0.318 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575043565 951396363 /nfs/dbraw/zinc/39/63/63/951396363.db2.gz UTNDCWHWJLAQIV-VIFPVBQESA-N -1 3 388.819 0.844 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575043565 951396374 /nfs/dbraw/zinc/39/63/74/951396374.db2.gz UTNDCWHWJLAQIV-VIFPVBQESA-N -1 3 388.819 0.844 20 0 GCADHM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575043628 951398737 /nfs/dbraw/zinc/39/87/37/951398737.db2.gz KWWITMWLNXIOOR-SNVBAGLBSA-N -1 3 386.391 0.752 20 0 GCADHM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575043628 951398742 /nfs/dbraw/zinc/39/87/42/951398742.db2.gz KWWITMWLNXIOOR-SNVBAGLBSA-N -1 3 386.391 0.752 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575043711 951403014 /nfs/dbraw/zinc/40/30/14/951403014.db2.gz MILDBRDELOWYIR-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575043711 951403019 /nfs/dbraw/zinc/40/30/19/951403019.db2.gz MILDBRDELOWYIR-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575044076 951407885 /nfs/dbraw/zinc/40/78/85/951407885.db2.gz PHXGKUIPYLEMHK-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575044076 951407898 /nfs/dbraw/zinc/40/78/98/951407898.db2.gz PHXGKUIPYLEMHK-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575044077 951408261 /nfs/dbraw/zinc/40/82/61/951408261.db2.gz PHXGKUIPYLEMHK-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575044077 951408270 /nfs/dbraw/zinc/40/82/70/951408270.db2.gz PHXGKUIPYLEMHK-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575044395 951415658 /nfs/dbraw/zinc/41/56/58/951415658.db2.gz RSLMJYVLKJTFQG-VIFPVBQESA-N -1 3 387.379 0.358 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575044395 951415662 /nfs/dbraw/zinc/41/56/62/951415662.db2.gz RSLMJYVLKJTFQG-VIFPVBQESA-N -1 3 387.379 0.358 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044900 951419492 /nfs/dbraw/zinc/41/94/92/951419492.db2.gz XALFMGSISFRRDR-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044900 951419498 /nfs/dbraw/zinc/41/94/98/951419498.db2.gz XALFMGSISFRRDR-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044901 951421551 /nfs/dbraw/zinc/42/15/51/951421551.db2.gz XALFMGSISFRRDR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044901 951421556 /nfs/dbraw/zinc/42/15/56/951421556.db2.gz XALFMGSISFRRDR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575046665 951446266 /nfs/dbraw/zinc/44/62/66/951446266.db2.gz QRXACEZZDLIWMU-LLVKDONJSA-N -1 3 383.416 0.243 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575046665 951446267 /nfs/dbraw/zinc/44/62/67/951446267.db2.gz QRXACEZZDLIWMU-LLVKDONJSA-N -1 3 383.416 0.243 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575052877 951474429 /nfs/dbraw/zinc/47/44/29/951474429.db2.gz PQXULIRFRIZDGB-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575052877 951474441 /nfs/dbraw/zinc/47/44/41/951474441.db2.gz PQXULIRFRIZDGB-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575053138 951474706 /nfs/dbraw/zinc/47/47/06/951474706.db2.gz RAFYQKPKBFIIMG-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575053138 951474712 /nfs/dbraw/zinc/47/47/12/951474712.db2.gz RAFYQKPKBFIIMG-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575053216 951475906 /nfs/dbraw/zinc/47/59/06/951475906.db2.gz AGVYZCFFBGZXDS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575053216 951475916 /nfs/dbraw/zinc/47/59/16/951475916.db2.gz AGVYZCFFBGZXDS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575053256 951477077 /nfs/dbraw/zinc/47/70/77/951477077.db2.gz RYMHHXFHTDUHAE-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575053256 951477087 /nfs/dbraw/zinc/47/70/87/951477087.db2.gz RYMHHXFHTDUHAE-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2ccccc12)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053801 951483324 /nfs/dbraw/zinc/48/33/24/951483324.db2.gz DYJUHOCJKAQKNT-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2ccccc12)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053801 951483329 /nfs/dbraw/zinc/48/33/29/951483329.db2.gz DYJUHOCJKAQKNT-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575053823 951486873 /nfs/dbraw/zinc/48/68/73/951486873.db2.gz FLQJWEVPMRZFBB-VIFPVBQESA-N -1 3 387.379 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575053823 951486877 /nfs/dbraw/zinc/48/68/77/951486877.db2.gz FLQJWEVPMRZFBB-VIFPVBQESA-N -1 3 387.379 0.610 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575054310 951491400 /nfs/dbraw/zinc/49/14/00/951491400.db2.gz IMPXBBXQHXKLRR-SNVBAGLBSA-N -1 3 383.416 0.350 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575054310 951491407 /nfs/dbraw/zinc/49/14/07/951491407.db2.gz IMPXBBXQHXKLRR-SNVBAGLBSA-N -1 3 383.416 0.350 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575054600 951494102 /nfs/dbraw/zinc/49/41/02/951494102.db2.gz YWJOJWOHXNKYGH-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575054600 951494109 /nfs/dbraw/zinc/49/41/09/951494109.db2.gz YWJOJWOHXNKYGH-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575054549 951494358 /nfs/dbraw/zinc/49/43/58/951494358.db2.gz YCBPSBMCONKSME-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575054549 951494366 /nfs/dbraw/zinc/49/43/66/951494366.db2.gz YCBPSBMCONKSME-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1cnnn1C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575054735 951495683 /nfs/dbraw/zinc/49/56/83/951495683.db2.gz KKAFISIXFPSGLI-QMMMGPOBSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@H](CNC(=O)c1cnnn1C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575054735 951495692 /nfs/dbraw/zinc/49/56/92/951495692.db2.gz KKAFISIXFPSGLI-QMMMGPOBSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575057367 951528318 /nfs/dbraw/zinc/52/83/18/951528318.db2.gz OPXXOLCLLUKTSD-SECBINFHSA-N -1 3 384.400 0.684 20 0 GCADHM C[C@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575057367 951528331 /nfs/dbraw/zinc/52/83/31/951528331.db2.gz OPXXOLCLLUKTSD-SECBINFHSA-N -1 3 384.400 0.684 20 0 GCADHM C[C@@](CNC(=O)c1cscn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575060860 951549006 /nfs/dbraw/zinc/54/90/06/951549006.db2.gz IHVKJCSXBVIANK-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1cscn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575060860 951549011 /nfs/dbraw/zinc/54/90/11/951549011.db2.gz IHVKJCSXBVIANK-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@H](CNC(=O)c1nc2ncccn2n1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575061968 951564335 /nfs/dbraw/zinc/56/43/35/951564335.db2.gz SEIZHSOAUBZMQY-SECBINFHSA-N -1 3 382.363 0.674 20 0 GCADHM C[C@H](CNC(=O)c1nc2ncccn2n1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575061968 951564340 /nfs/dbraw/zinc/56/43/40/951564340.db2.gz SEIZHSOAUBZMQY-SECBINFHSA-N -1 3 382.363 0.674 20 0 GCADHM C[C@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575062436 951569548 /nfs/dbraw/zinc/56/95/48/951569548.db2.gz WAYSZPVUUPTBGW-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575062436 951569550 /nfs/dbraw/zinc/56/95/50/951569550.db2.gz WAYSZPVUUPTBGW-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575062813 951571646 /nfs/dbraw/zinc/57/16/46/951571646.db2.gz YVFPEHBSVACRBE-SNVBAGLBSA-N -1 3 382.432 0.513 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575065737 951586509 /nfs/dbraw/zinc/58/65/09/951586509.db2.gz IEXCMUCOCPCURN-SNVBAGLBSA-N -1 3 384.400 0.800 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575065737 951586522 /nfs/dbraw/zinc/58/65/22/951586522.db2.gz IEXCMUCOCPCURN-SNVBAGLBSA-N -1 3 384.400 0.800 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575065894 951590486 /nfs/dbraw/zinc/59/04/86/951590486.db2.gz CLCJHLWIEDKPSZ-NSHDSACASA-N -1 3 384.448 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575065894 951590493 /nfs/dbraw/zinc/59/04/93/951590493.db2.gz CLCJHLWIEDKPSZ-NSHDSACASA-N -1 3 384.448 0.863 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575066345 951594277 /nfs/dbraw/zinc/59/42/77/951594277.db2.gz KKOCJRFSILSEMY-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575066345 951594282 /nfs/dbraw/zinc/59/42/82/951594282.db2.gz KKOCJRFSILSEMY-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575067215 951605258 /nfs/dbraw/zinc/60/52/58/951605258.db2.gz KLUZQGGLQLFYBP-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575067215 951605263 /nfs/dbraw/zinc/60/52/63/951605263.db2.gz KLUZQGGLQLFYBP-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1ncccc1-c1nnn[n-]1 ZINC001575067274 951606098 /nfs/dbraw/zinc/60/60/98/951606098.db2.gz QBDNDCKRIRQXEO-JTQLQIEISA-N -1 3 384.400 0.800 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1ncccc1-c1nn[n-]n1 ZINC001575067274 951606106 /nfs/dbraw/zinc/60/61/06/951606106.db2.gz QBDNDCKRIRQXEO-JTQLQIEISA-N -1 3 384.400 0.800 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575067373 951609343 /nfs/dbraw/zinc/60/93/43/951609343.db2.gz RQECDPFYLGTZRZ-QMMMGPOBSA-N -1 3 388.363 0.692 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575067373 951609351 /nfs/dbraw/zinc/60/93/51/951609351.db2.gz RQECDPFYLGTZRZ-QMMMGPOBSA-N -1 3 388.363 0.692 20 0 GCADHM C[C@@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575068324 951633580 /nfs/dbraw/zinc/63/35/80/951633580.db2.gz ZYJJOQUFCBVPCQ-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575068324 951633584 /nfs/dbraw/zinc/63/35/84/951633584.db2.gz ZYJJOQUFCBVPCQ-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575068325 951634263 /nfs/dbraw/zinc/63/42/63/951634263.db2.gz ZYJJOQUFCBVPCQ-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575068325 951634270 /nfs/dbraw/zinc/63/42/70/951634270.db2.gz ZYJJOQUFCBVPCQ-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM O=C([O-])CN1CCC(NS(=O)(=O)Cc2ncsc2Br)CC1 ZINC001595080948 951676648 /nfs/dbraw/zinc/67/66/48/951676648.db2.gz JBTWBSMELMKTGO-UHFFFAOYSA-N -1 3 398.304 0.874 20 0 GCADHM C[C@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116198 951968426 /nfs/dbraw/zinc/96/84/26/951968426.db2.gz AUVATUHGCHRSGU-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575116198 951968435 /nfs/dbraw/zinc/96/84/35/951968435.db2.gz AUVATUHGCHRSGU-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNCc1nnsc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575116261 951970755 /nfs/dbraw/zinc/97/07/55/951970755.db2.gz BUPQHSARAZXINU-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CNCc1nnsc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575116261 951970763 /nfs/dbraw/zinc/97/07/63/951970763.db2.gz BUPQHSARAZXINU-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNCc1noc2c1COCC2)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116745 951974065 /nfs/dbraw/zinc/97/40/65/951974065.db2.gz HJGITOFUMIDWQG-JTQLQIEISA-N -1 3 386.416 0.506 20 0 GCADHM C[C@@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575116858 951975844 /nfs/dbraw/zinc/97/58/44/951975844.db2.gz JJDKCNSVOVLGQB-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116858 951975851 /nfs/dbraw/zinc/97/58/51/951975851.db2.gz JJDKCNSVOVLGQB-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNCc1nn(C)cc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575117112 951977232 /nfs/dbraw/zinc/97/72/32/951977232.db2.gz LJBDHIKPTWSKTJ-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575121523 951995759 /nfs/dbraw/zinc/99/57/59/951995759.db2.gz FVBCMKCFPROKAN-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575121523 951995767 /nfs/dbraw/zinc/99/57/67/951995767.db2.gz FVBCMKCFPROKAN-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575121443 951997016 /nfs/dbraw/zinc/99/70/16/951997016.db2.gz DUHHMKHBGXIGSO-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575121443 951997021 /nfs/dbraw/zinc/99/70/21/951997021.db2.gz DUHHMKHBGXIGSO-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575122185 952001619 /nfs/dbraw/zinc/00/16/19/952001619.db2.gz KCRZDHNWACRKHQ-ZWNOBZJWSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575122185 952001630 /nfs/dbraw/zinc/00/16/30/952001630.db2.gz KCRZDHNWACRKHQ-ZWNOBZJWSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575122178 952002392 /nfs/dbraw/zinc/00/23/92/952002392.db2.gz KCRZDHNWACRKHQ-GXFFZTMASA-N -1 3 389.464 0.604 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575122178 952002397 /nfs/dbraw/zinc/00/23/97/952002397.db2.gz KCRZDHNWACRKHQ-GXFFZTMASA-N -1 3 389.464 0.604 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575122907 952007846 /nfs/dbraw/zinc/00/78/46/952007846.db2.gz AKENMHUOOYOCNU-JTQLQIEISA-N -1 3 384.400 0.455 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575122907 952007853 /nfs/dbraw/zinc/00/78/53/952007853.db2.gz AKENMHUOOYOCNU-JTQLQIEISA-N -1 3 384.400 0.455 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575123019 952010481 /nfs/dbraw/zinc/01/04/81/952010481.db2.gz BTONXGQHBAMQTE-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575123019 952010491 /nfs/dbraw/zinc/01/04/91/952010491.db2.gz BTONXGQHBAMQTE-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575123494 952013477 /nfs/dbraw/zinc/01/34/77/952013477.db2.gz DPDPFBCHQMPUOG-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575123494 952013487 /nfs/dbraw/zinc/01/34/87/952013487.db2.gz DPDPFBCHQMPUOG-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575123711 952020169 /nfs/dbraw/zinc/02/01/69/952020169.db2.gz QIRCOPUWTWBBDH-INIZCTEOSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575123711 952020178 /nfs/dbraw/zinc/02/01/78/952020178.db2.gz QIRCOPUWTWBBDH-INIZCTEOSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@H](CNc1cc(Cl)c(=O)[nH]n1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575125455 952042725 /nfs/dbraw/zinc/04/27/25/952042725.db2.gz YWFQLIWMXIGGMJ-SSDOTTSWSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@H](CNc1cc(Cl)c(=O)[nH]n1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575125455 952042731 /nfs/dbraw/zinc/04/27/31/952042731.db2.gz YWFQLIWMXIGGMJ-SSDOTTSWSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575126927 952053297 /nfs/dbraw/zinc/05/32/97/952053297.db2.gz UXYYWNYBNBCPKL-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575126927 952053305 /nfs/dbraw/zinc/05/33/05/952053305.db2.gz UXYYWNYBNBCPKL-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575126886 952053568 /nfs/dbraw/zinc/05/35/68/952053568.db2.gz UHIXFHQHQXUGLB-MFKMUULPSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575126886 952053575 /nfs/dbraw/zinc/05/35/75/952053575.db2.gz UHIXFHQHQXUGLB-MFKMUULPSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575128410 952066685 /nfs/dbraw/zinc/06/66/85/952066685.db2.gz HZHWYTYRLQQKPZ-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575128410 952066693 /nfs/dbraw/zinc/06/66/93/952066693.db2.gz HZHWYTYRLQQKPZ-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575129528 952082530 /nfs/dbraw/zinc/08/25/30/952082530.db2.gz UVFUFRDWMBURSM-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575129528 952082539 /nfs/dbraw/zinc/08/25/39/952082539.db2.gz UVFUFRDWMBURSM-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575129593 952084905 /nfs/dbraw/zinc/08/49/05/952084905.db2.gz WNPHTCSLEIFGIN-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575129593 952084910 /nfs/dbraw/zinc/08/49/10/952084910.db2.gz WNPHTCSLEIFGIN-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575131727 952088351 /nfs/dbraw/zinc/08/83/51/952088351.db2.gz ATUPONTVHYPQEX-GHMZBOCLSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575131731 952089608 /nfs/dbraw/zinc/08/96/08/952089608.db2.gz ATUPONTVHYPQEX-WDEREUQCSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575137070 952134936 /nfs/dbraw/zinc/13/49/36/952134936.db2.gz SXESORDUCWOPJL-SJCJKPOMSA-N -1 3 389.391 0.811 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575137070 952134940 /nfs/dbraw/zinc/13/49/40/952134940.db2.gz SXESORDUCWOPJL-SJCJKPOMSA-N -1 3 389.391 0.811 20 0 GCADHM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575154489 952224081 /nfs/dbraw/zinc/22/40/81/952224081.db2.gz RPLJYNOCCKBPFV-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575154489 952224091 /nfs/dbraw/zinc/22/40/91/952224091.db2.gz RPLJYNOCCKBPFV-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575154506 952225386 /nfs/dbraw/zinc/22/53/86/952225386.db2.gz RSGNKEHQGHZJPP-WDEREUQCSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575163575 952280721 /nfs/dbraw/zinc/28/07/21/952280721.db2.gz DPNCLKTUYHDSIZ-KRWDZBQOSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575163575 952280727 /nfs/dbraw/zinc/28/07/27/952280727.db2.gz DPNCLKTUYHDSIZ-KRWDZBQOSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575163774 952284470 /nfs/dbraw/zinc/28/44/70/952284470.db2.gz GCZVMMRFMBLHRG-SKDRFNHKSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575163774 952284476 /nfs/dbraw/zinc/28/44/76/952284476.db2.gz GCZVMMRFMBLHRG-SKDRFNHKSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575164263 952289688 /nfs/dbraw/zinc/28/96/88/952289688.db2.gz JVQMCAKHOBGKIK-MWLCHTKSSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575164263 952289693 /nfs/dbraw/zinc/28/96/93/952289693.db2.gz JVQMCAKHOBGKIK-MWLCHTKSSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575164502 952292921 /nfs/dbraw/zinc/29/29/21/952292921.db2.gz LYYSSJATCALTKS-KOLCDFICSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575164502 952292926 /nfs/dbraw/zinc/29/29/26/952292926.db2.gz LYYSSJATCALTKS-KOLCDFICSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575165002 952301833 /nfs/dbraw/zinc/30/18/33/952301833.db2.gz JEPQRTBCABRMCD-CABZTGNLSA-N -1 3 392.851 0.795 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575165002 952301840 /nfs/dbraw/zinc/30/18/40/952301840.db2.gz JEPQRTBCABRMCD-CABZTGNLSA-N -1 3 392.851 0.795 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575165333 952307479 /nfs/dbraw/zinc/30/74/79/952307479.db2.gz NKASJTTVVVBXJD-MRVPVSSYSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575165333 952307489 /nfs/dbraw/zinc/30/74/89/952307489.db2.gz NKASJTTVVVBXJD-MRVPVSSYSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575165546 952309358 /nfs/dbraw/zinc/30/93/58/952309358.db2.gz OOGHEPLJDWUWJB-GXSJLCMTSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575165546 952309365 /nfs/dbraw/zinc/30/93/65/952309365.db2.gz OOGHEPLJDWUWJB-GXSJLCMTSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575165697 952314716 /nfs/dbraw/zinc/31/47/16/952314716.db2.gz VDJYNCFAOZASBN-VIFPVBQESA-N -1 3 387.379 0.067 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575165697 952314725 /nfs/dbraw/zinc/31/47/25/952314725.db2.gz VDJYNCFAOZASBN-VIFPVBQESA-N -1 3 387.379 0.067 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CN1CCCCC1=O ZINC001575165954 952318963 /nfs/dbraw/zinc/31/89/63/952318963.db2.gz XQHGJORQDBAYDZ-LLVKDONJSA-N -1 3 390.423 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CN1CCCCC1=O ZINC001575165954 952318967 /nfs/dbraw/zinc/31/89/67/952318967.db2.gz XQHGJORQDBAYDZ-LLVKDONJSA-N -1 3 390.423 0.672 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575166955 952329875 /nfs/dbraw/zinc/32/98/75/952329875.db2.gz AZJWKUCRECUKDG-OLZOCXBDSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575166955 952329884 /nfs/dbraw/zinc/32/98/84/952329884.db2.gz AZJWKUCRECUKDG-OLZOCXBDSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575169296 952346014 /nfs/dbraw/zinc/34/60/14/952346014.db2.gz QFPBUCDGJYVGFT-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575169296 952346021 /nfs/dbraw/zinc/34/60/21/952346021.db2.gz QFPBUCDGJYVGFT-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575170021 952352718 /nfs/dbraw/zinc/35/27/18/952352718.db2.gz VMBOMZVWUVTVDA-NSHDSACASA-N -1 3 381.462 0.345 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575170021 952352726 /nfs/dbraw/zinc/35/27/26/952352726.db2.gz VMBOMZVWUVTVDA-NSHDSACASA-N -1 3 381.462 0.345 20 0 GCADHM C[C@@H](CNc1ncnc2c1ncn2C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575180700 952419934 /nfs/dbraw/zinc/41/99/34/952419934.db2.gz WRVPSTJRMSHEND-VIFPVBQESA-N -1 3 381.404 0.444 20 0 GCADHM C[C@@H](CNc1ncnc2c1ncn2C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575180700 952419940 /nfs/dbraw/zinc/41/99/40/952419940.db2.gz WRVPSTJRMSHEND-VIFPVBQESA-N -1 3 381.404 0.444 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001575184712 952423045 /nfs/dbraw/zinc/42/30/45/952423045.db2.gz AZDIBFOIBCFTJT-DGCLKSJQSA-N -1 3 378.458 0.182 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001575184712 952423047 /nfs/dbraw/zinc/42/30/47/952423047.db2.gz AZDIBFOIBCFTJT-DGCLKSJQSA-N -1 3 378.458 0.182 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575184735 952423451 /nfs/dbraw/zinc/42/34/51/952423451.db2.gz BKRXTHDMEJDNIF-DCAQKATOSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575184735 952423454 /nfs/dbraw/zinc/42/34/54/952423454.db2.gz BKRXTHDMEJDNIF-DCAQKATOSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575184789 952424349 /nfs/dbraw/zinc/42/43/49/952424349.db2.gz CMDYCVNBQZJBJN-JTQLQIEISA-N -1 3 386.503 0.157 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575185040 952427532 /nfs/dbraw/zinc/42/75/32/952427532.db2.gz KBFPWYWWFZNNOZ-WDEREUQCSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575185040 952427536 /nfs/dbraw/zinc/42/75/36/952427536.db2.gz KBFPWYWWFZNNOZ-WDEREUQCSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001575185781 952436256 /nfs/dbraw/zinc/43/62/56/952436256.db2.gz WVRSLVAROXKFQU-CYBMUJFWSA-N -1 3 392.485 0.192 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001575185781 952436260 /nfs/dbraw/zinc/43/62/60/952436260.db2.gz WVRSLVAROXKFQU-CYBMUJFWSA-N -1 3 392.485 0.192 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001575185978 952436408 /nfs/dbraw/zinc/43/64/08/952436408.db2.gz XIPKYOJDJIHVHO-DOMZBBRYSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001575185978 952436413 /nfs/dbraw/zinc/43/64/13/952436413.db2.gz XIPKYOJDJIHVHO-DOMZBBRYSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575185964 952436823 /nfs/dbraw/zinc/43/68/23/952436823.db2.gz XARPLDRCOCTXRD-WFASDCNBSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575185964 952436825 /nfs/dbraw/zinc/43/68/25/952436825.db2.gz XARPLDRCOCTXRD-WFASDCNBSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575188533 952448947 /nfs/dbraw/zinc/44/89/47/952448947.db2.gz JGJSXQOCLRBTRK-RYUDHWBXSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575188533 952448952 /nfs/dbraw/zinc/44/89/52/952448952.db2.gz JGJSXQOCLRBTRK-RYUDHWBXSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001575188843 952450099 /nfs/dbraw/zinc/45/00/99/952450099.db2.gz KNAUNJUVTOODEU-JTQLQIEISA-N -1 3 387.425 0.878 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001575188843 952450101 /nfs/dbraw/zinc/45/01/01/952450101.db2.gz KNAUNJUVTOODEU-JTQLQIEISA-N -1 3 387.425 0.878 20 0 GCADHM COC(=O)[C@@H](F)CNC(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001571114170 952450681 /nfs/dbraw/zinc/45/06/81/952450681.db2.gz CLELCGDWKGCGSM-JTQLQIEISA-N -1 3 375.324 0.080 20 0 GCADHM COC(=O)[C@@H](F)CNC(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001571114170 952450684 /nfs/dbraw/zinc/45/06/84/952450684.db2.gz CLELCGDWKGCGSM-JTQLQIEISA-N -1 3 375.324 0.080 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001571114303 952451557 /nfs/dbraw/zinc/45/15/57/952451557.db2.gz GGCYEJSHGWKNSV-GFCCVEGCSA-N -1 3 375.364 0.517 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001571114303 952451559 /nfs/dbraw/zinc/45/15/59/952451559.db2.gz GGCYEJSHGWKNSV-GFCCVEGCSA-N -1 3 375.364 0.517 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575189758 952459161 /nfs/dbraw/zinc/45/91/61/952459161.db2.gz QCSBQGKAPSCRJM-LLVKDONJSA-N -1 3 383.412 0.949 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575189758 952459166 /nfs/dbraw/zinc/45/91/66/952459166.db2.gz QCSBQGKAPSCRJM-LLVKDONJSA-N -1 3 383.412 0.949 20 0 GCADHM O=C(c1n[nH]cc1F)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571114719 952460658 /nfs/dbraw/zinc/46/06/58/952460658.db2.gz MUGWWJKULRVDRS-VIFPVBQESA-N -1 3 375.343 0.980 20 0 GCADHM O=C(c1n[nH]cc1F)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571114719 952460663 /nfs/dbraw/zinc/46/06/63/952460663.db2.gz MUGWWJKULRVDRS-VIFPVBQESA-N -1 3 375.343 0.980 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575190632 952463507 /nfs/dbraw/zinc/46/35/07/952463507.db2.gz UZONYPISTGXZSU-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575190632 952463512 /nfs/dbraw/zinc/46/35/12/952463512.db2.gz UZONYPISTGXZSU-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CO)[C@@H](O)c1ccccn1 ZINC001575191614 952468467 /nfs/dbraw/zinc/46/84/67/952468467.db2.gz YIYVCBXHJQXFLL-DQYPLSBCSA-N -1 3 382.424 0.651 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CO)[C@@H](O)c1ccccn1 ZINC001575191614 952468471 /nfs/dbraw/zinc/46/84/71/952468471.db2.gz YIYVCBXHJQXFLL-DQYPLSBCSA-N -1 3 382.424 0.651 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575195891 952472572 /nfs/dbraw/zinc/47/25/72/952472572.db2.gz CUJZZNFGKLSUMC-NEPJUHHUSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575195891 952472576 /nfs/dbraw/zinc/47/25/76/952472576.db2.gz CUJZZNFGKLSUMC-NEPJUHHUSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575195885 952473606 /nfs/dbraw/zinc/47/36/06/952473606.db2.gz CQJFZNGCTLNPLP-RYUDHWBXSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575195885 952473611 /nfs/dbraw/zinc/47/36/11/952473611.db2.gz CQJFZNGCTLNPLP-RYUDHWBXSA-N -1 3 383.412 0.997 20 0 GCADHM CSCC(=O)N1CC[C@@]2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCC[C@H]12 ZINC001571116670 952477022 /nfs/dbraw/zinc/47/70/22/952477022.db2.gz BWAQFQRWFXSTIB-LRDDRELGSA-N -1 3 375.458 0.811 20 0 GCADHM CSCC(=O)N1CC[C@@]2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC[C@H]12 ZINC001571116670 952477025 /nfs/dbraw/zinc/47/70/25/952477025.db2.gz BWAQFQRWFXSTIB-LRDDRELGSA-N -1 3 375.458 0.811 20 0 GCADHM CCC(CC)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001571116830 952478223 /nfs/dbraw/zinc/47/82/23/952478223.db2.gz DEWNZVBHCQRXAB-TZMCWYRMSA-N -1 3 375.433 0.323 20 0 GCADHM CCC(CC)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001571116830 952478229 /nfs/dbraw/zinc/47/82/29/952478229.db2.gz DEWNZVBHCQRXAB-TZMCWYRMSA-N -1 3 375.433 0.323 20 0 GCADHM CO[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C(C)C ZINC001571116837 952478437 /nfs/dbraw/zinc/47/84/37/952478437.db2.gz DJSCXYSQRUBSKC-AWEZNQCLSA-N -1 3 375.433 0.587 20 0 GCADHM CO[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C(C)C ZINC001571116837 952478441 /nfs/dbraw/zinc/47/84/41/952478441.db2.gz DJSCXYSQRUBSKC-AWEZNQCLSA-N -1 3 375.433 0.587 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCCOC1 ZINC001571116824 952478756 /nfs/dbraw/zinc/47/87/56/952478756.db2.gz DEFPGQWMQKKWTR-WCQYABFASA-N -1 3 375.408 0.912 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCCOC1 ZINC001571116824 952478758 /nfs/dbraw/zinc/47/87/58/952478758.db2.gz DEFPGQWMQKKWTR-WCQYABFASA-N -1 3 375.408 0.912 20 0 GCADHM CN1C[C@H](C(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)CC1=O ZINC001571116869 952478791 /nfs/dbraw/zinc/47/87/91/952478791.db2.gz FGCCVIOFOMOTLS-MNOVXSKESA-N -1 3 375.458 0.097 20 0 GCADHM O=C(Nc1sccc1-c1nnn[n-]1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001571117123 952479455 /nfs/dbraw/zinc/47/94/55/952479455.db2.gz GZBCFVWNUMQSBJ-JTQLQIEISA-N -1 3 375.418 0.881 20 0 GCADHM O=C(Nc1sccc1-c1nn[n-]n1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001571117123 952479460 /nfs/dbraw/zinc/47/94/60/952479460.db2.gz GZBCFVWNUMQSBJ-JTQLQIEISA-N -1 3 375.418 0.881 20 0 GCADHM CO[C@H](C)C(=O)N1CCC[C@@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571117056 952479506 /nfs/dbraw/zinc/47/95/06/952479506.db2.gz GJZNZVQDZUMBFI-NEPJUHHUSA-N -1 3 375.433 0.540 20 0 GCADHM CO[C@H](C)C(=O)N1CCC[C@@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571117056 952479511 /nfs/dbraw/zinc/47/95/11/952479511.db2.gz GJZNZVQDZUMBFI-NEPJUHHUSA-N -1 3 375.433 0.540 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](F)C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571117180 952480665 /nfs/dbraw/zinc/48/06/65/952480665.db2.gz IBRNOTWJZOIEQX-VCDKRKBESA-N -1 3 375.408 0.958 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](F)C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571117180 952480669 /nfs/dbraw/zinc/48/06/69/952480669.db2.gz IBRNOTWJZOIEQX-VCDKRKBESA-N -1 3 375.408 0.958 20 0 GCADHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001571117338 952480928 /nfs/dbraw/zinc/48/09/28/952480928.db2.gz JOJHCCARMHECLB-UHFFFAOYSA-N -1 3 375.414 0.123 20 0 GCADHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001571117338 952480932 /nfs/dbraw/zinc/48/09/32/952480932.db2.gz JOJHCCARMHECLB-UHFFFAOYSA-N -1 3 375.414 0.123 20 0 GCADHM CS[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571117399 952481773 /nfs/dbraw/zinc/48/17/73/952481773.db2.gz LHOXEAJDBBROAK-OUJBWJOFSA-N -1 3 375.458 0.619 20 0 GCADHM CS[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571117399 952481776 /nfs/dbraw/zinc/48/17/76/952481776.db2.gz LHOXEAJDBBROAK-OUJBWJOFSA-N -1 3 375.458 0.619 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H](F)C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571117506 952481869 /nfs/dbraw/zinc/48/18/69/952481869.db2.gz LRVFBMNIVYSUKS-WFFHOREQSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H](F)C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571117506 952481873 /nfs/dbraw/zinc/48/18/73/952481873.db2.gz LRVFBMNIVYSUKS-WFFHOREQSA-N -1 3 375.408 0.958 20 0 GCADHM CS[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571117531 952482025 /nfs/dbraw/zinc/48/20/25/952482025.db2.gz MHRUCWPKPUJSTL-OPQQBVKSSA-N -1 3 375.458 0.619 20 0 GCADHM CS[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571117531 952482028 /nfs/dbraw/zinc/48/20/28/952482028.db2.gz MHRUCWPKPUJSTL-OPQQBVKSSA-N -1 3 375.458 0.619 20 0 GCADHM O=C(NC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)[C@H]1CCCO1 ZINC001571117393 952482072 /nfs/dbraw/zinc/48/20/72/952482072.db2.gz LBBFBRARMKTJGN-SMDDNHRTSA-N -1 3 375.408 0.912 20 0 GCADHM O=C(NC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)[C@H]1CCCO1 ZINC001571117393 952482075 /nfs/dbraw/zinc/48/20/75/952482075.db2.gz LBBFBRARMKTJGN-SMDDNHRTSA-N -1 3 375.408 0.912 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)c1cocn1 ZINC001571117605 952482872 /nfs/dbraw/zinc/48/28/72/952482872.db2.gz NTMXVSYWRMEVJA-PWSUYJOCSA-N -1 3 375.414 0.281 20 0 GCADHM NC(=O)c1csc(C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)c1 ZINC001571117545 952483551 /nfs/dbraw/zinc/48/35/51/952483551.db2.gz MTLSWKZIHXYICR-UHFFFAOYSA-N -1 3 375.439 0.869 20 0 GCADHM NC(=O)c1csc(C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)c1 ZINC001571117545 952483554 /nfs/dbraw/zinc/48/35/54/952483554.db2.gz MTLSWKZIHXYICR-UHFFFAOYSA-N -1 3 375.439 0.869 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@]3(F)CCOC3)C2)ccc1-c1nnn[n-]1 ZINC001571117733 952484220 /nfs/dbraw/zinc/48/42/20/952484220.db2.gz PNLDOOUFFFWWJW-PXAZEXFGSA-N -1 3 375.408 0.784 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@]3(F)CCOC3)C2)ccc1-c1nn[n-]n1 ZINC001571117733 952484222 /nfs/dbraw/zinc/48/42/22/952484222.db2.gz PNLDOOUFFFWWJW-PXAZEXFGSA-N -1 3 375.408 0.784 20 0 GCADHM CC[C@H](F)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001571117816 952484681 /nfs/dbraw/zinc/48/46/81/952484681.db2.gz QXCNFEJLIKBFMZ-WXHSDQCUSA-N -1 3 375.408 0.863 20 0 GCADHM CC[C@H](F)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001571117816 952484683 /nfs/dbraw/zinc/48/46/83/952484683.db2.gz QXCNFEJLIKBFMZ-WXHSDQCUSA-N -1 3 375.408 0.863 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)[C@]3(F)CCOC3)C2)ccc1-c1nnn[n-]1 ZINC001571117734 952484703 /nfs/dbraw/zinc/48/47/03/952484703.db2.gz PNLDOOUFFFWWJW-SJCJKPOMSA-N -1 3 375.408 0.784 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)[C@]3(F)CCOC3)C2)ccc1-c1nn[n-]n1 ZINC001571117734 952484706 /nfs/dbraw/zinc/48/47/06/952484706.db2.gz PNLDOOUFFFWWJW-SJCJKPOMSA-N -1 3 375.408 0.784 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575197411 952484858 /nfs/dbraw/zinc/48/48/58/952484858.db2.gz VNRSMGVQZKPGRT-KCPJHIHWSA-N -1 3 383.412 0.399 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575197411 952484863 /nfs/dbraw/zinc/48/48/63/952484863.db2.gz VNRSMGVQZKPGRT-KCPJHIHWSA-N -1 3 383.412 0.399 20 0 GCADHM CSCC(=O)N1CC[C@@]2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCC[C@H]12 ZINC001571117965 952485299 /nfs/dbraw/zinc/48/52/99/952485299.db2.gz RGWSJGUGAQBYHF-LRDDRELGSA-N -1 3 375.458 0.811 20 0 GCADHM CSCC(=O)N1CC[C@@]2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC[C@H]12 ZINC001571117965 952485300 /nfs/dbraw/zinc/48/53/00/952485300.db2.gz RGWSJGUGAQBYHF-LRDDRELGSA-N -1 3 375.458 0.811 20 0 GCADHM C[C@@H]1CO[C@H](C(=O)NC2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC001571118042 952485525 /nfs/dbraw/zinc/48/55/25/952485525.db2.gz SIGHITBTGFPKMR-HZMBPMFUSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H]1CO[C@H](C(=O)NC2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001571118042 952485532 /nfs/dbraw/zinc/48/55/32/952485532.db2.gz SIGHITBTGFPKMR-HZMBPMFUSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001575197600 952486099 /nfs/dbraw/zinc/48/60/99/952486099.db2.gz XOAOVFAPJHBIRK-IUIKQTSFSA-N -1 3 383.412 0.399 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001575197600 952486103 /nfs/dbraw/zinc/48/61/03/952486103.db2.gz XOAOVFAPJHBIRK-IUIKQTSFSA-N -1 3 383.412 0.399 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571118340 952487406 /nfs/dbraw/zinc/48/74/06/952487406.db2.gz VMDLLIRNCACJAC-WDEREUQCSA-N -1 3 375.458 0.145 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575199283 952488601 /nfs/dbraw/zinc/48/86/01/952488601.db2.gz BKFZOYVNDKCVFO-BXUZGUMPSA-N -1 3 384.448 0.811 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001575199672 952490144 /nfs/dbraw/zinc/49/01/44/952490144.db2.gz DUHFGCUCIXFOKA-WZRBSPASSA-N -1 3 382.432 0.342 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575199672 952490149 /nfs/dbraw/zinc/49/01/49/952490149.db2.gz DUHFGCUCIXFOKA-WZRBSPASSA-N -1 3 382.432 0.342 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575199644 952490215 /nfs/dbraw/zinc/49/02/15/952490215.db2.gz DSXGNZVOGOMFJH-WCQYABFASA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575199644 952490218 /nfs/dbraw/zinc/49/02/18/952490218.db2.gz DSXGNZVOGOMFJH-WCQYABFASA-N -1 3 382.432 0.344 20 0 GCADHM O=C(NC[C@H]1CCN1CCn1cc(Cl)cn1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571119416 952490456 /nfs/dbraw/zinc/49/04/56/952490456.db2.gz AOISTXOQXRROOZ-GFCCVEGCSA-N -1 3 375.824 0.549 20 0 GCADHM O=C(NC[C@H]1CCN1CCn1cc(Cl)cn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571119416 952490458 /nfs/dbraw/zinc/49/04/58/952490458.db2.gz AOISTXOQXRROOZ-GFCCVEGCSA-N -1 3 375.824 0.549 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575199746 952491311 /nfs/dbraw/zinc/49/13/11/952491311.db2.gz FEPFOKWRWFIXSI-AAEUAGOBSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575199746 952491313 /nfs/dbraw/zinc/49/13/13/952491313.db2.gz FEPFOKWRWFIXSI-AAEUAGOBSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200044 952492575 /nfs/dbraw/zinc/49/25/75/952492575.db2.gz GZWMLWIAQIEFGL-RYUDHWBXSA-N -1 3 382.432 0.201 20 0 GCADHM COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)cc1O ZINC001571119738 952494652 /nfs/dbraw/zinc/49/46/52/952494652.db2.gz FFQTYVLGEJVTMW-UHFFFAOYSA-N -1 3 376.398 0.797 20 0 GCADHM COc1ccc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)cc1O ZINC001571119738 952494657 /nfs/dbraw/zinc/49/46/57/952494657.db2.gz FFQTYVLGEJVTMW-UHFFFAOYSA-N -1 3 376.398 0.797 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)cn1 ZINC001571119922 952496481 /nfs/dbraw/zinc/49/64/81/952496481.db2.gz HORGAGIPKVBQQF-HWWDLCQESA-N -1 3 376.424 0.759 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)cn1 ZINC001571119922 952496486 /nfs/dbraw/zinc/49/64/86/952496486.db2.gz HORGAGIPKVBQQF-HWWDLCQESA-N -1 3 376.424 0.759 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001575200682 952498102 /nfs/dbraw/zinc/49/81/02/952498102.db2.gz KHFYXQGVNIILLN-WZRBSPASSA-N -1 3 382.432 0.342 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575200682 952498104 /nfs/dbraw/zinc/49/81/04/952498104.db2.gz KHFYXQGVNIILLN-WZRBSPASSA-N -1 3 382.432 0.342 20 0 GCADHM O=S(=O)(Cc1ccno1)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571120060 952499212 /nfs/dbraw/zinc/49/92/12/952499212.db2.gz IVGOQELORCNEDF-AWEZNQCLSA-N -1 3 376.398 0.758 20 0 GCADHM O=S(=O)(Cc1ccno1)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571120060 952499215 /nfs/dbraw/zinc/49/92/15/952499215.db2.gz IVGOQELORCNEDF-AWEZNQCLSA-N -1 3 376.398 0.758 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001575200858 952499560 /nfs/dbraw/zinc/49/95/60/952499560.db2.gz LYHPJTCNZONROD-ZDUSSCGKSA-N -1 3 381.444 0.523 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001575200858 952499562 /nfs/dbraw/zinc/49/95/62/952499562.db2.gz LYHPJTCNZONROD-ZDUSSCGKSA-N -1 3 381.444 0.523 20 0 GCADHM COc1ccc(OS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc1-c1nnn[n-]1 ZINC001571120173 952500259 /nfs/dbraw/zinc/50/02/59/952500259.db2.gz KMLWZOHOKQYQOY-HSZRJFAPSA-N -1 3 376.420 0.073 20 0 GCADHM COc1ccc(OS(=O)(=O)N=[S@@](C)(=O)N(C)C)cc1-c1nn[n-]n1 ZINC001571120173 952500261 /nfs/dbraw/zinc/50/02/61/952500261.db2.gz KMLWZOHOKQYQOY-HSZRJFAPSA-N -1 3 376.420 0.073 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575201107 952501365 /nfs/dbraw/zinc/50/13/65/952501365.db2.gz NJQWDUZWJMAVIH-ZDUSSCGKSA-N -1 3 383.460 0.769 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575201107 952501371 /nfs/dbraw/zinc/50/13/71/952501371.db2.gz NJQWDUZWJMAVIH-ZDUSSCGKSA-N -1 3 383.460 0.769 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575201181 952501702 /nfs/dbraw/zinc/50/17/02/952501702.db2.gz NURIRPWVOHDSKT-YPMHNXCESA-N -1 3 384.448 0.233 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575201181 952501706 /nfs/dbraw/zinc/50/17/06/952501706.db2.gz NURIRPWVOHDSKT-YPMHNXCESA-N -1 3 384.448 0.233 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575201201 952502530 /nfs/dbraw/zinc/50/25/30/952502530.db2.gz OBYGDVXPZRLLLQ-UNXYVOJBSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575201201 952502535 /nfs/dbraw/zinc/50/25/35/952502535.db2.gz OBYGDVXPZRLLLQ-UNXYVOJBSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001575201395 952503223 /nfs/dbraw/zinc/50/32/23/952503223.db2.gz OZBMTSASDLJJLX-NSHDSACASA-N -1 3 382.432 0.709 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001575201395 952503231 /nfs/dbraw/zinc/50/32/31/952503231.db2.gz OZBMTSASDLJJLX-NSHDSACASA-N -1 3 382.432 0.709 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575201884 952509147 /nfs/dbraw/zinc/50/91/47/952509147.db2.gz RWUVTBJPHMQPNT-YPMHNXCESA-N -1 3 384.448 0.811 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575201884 952509151 /nfs/dbraw/zinc/50/91/51/952509151.db2.gz RWUVTBJPHMQPNT-YPMHNXCESA-N -1 3 384.448 0.811 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575201987 952509269 /nfs/dbraw/zinc/50/92/69/952509269.db2.gz KPAJRHNRCAMCQR-LBPRGKRZSA-N -1 3 382.432 0.297 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575202100 952509588 /nfs/dbraw/zinc/50/95/88/952509588.db2.gz NMTDWBRQGBPSOR-DMDPSCGWSA-N -1 3 382.432 0.517 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575202100 952509595 /nfs/dbraw/zinc/50/95/95/952509595.db2.gz NMTDWBRQGBPSOR-DMDPSCGWSA-N -1 3 382.432 0.517 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575202517 952513287 /nfs/dbraw/zinc/51/32/87/952513287.db2.gz OSQSHXHPKHPRLQ-DIFFPNOSSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575202517 952513291 /nfs/dbraw/zinc/51/32/91/952513291.db2.gz OSQSHXHPKHPRLQ-DIFFPNOSSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575202689 952516502 /nfs/dbraw/zinc/51/65/02/952516502.db2.gz XKMXTXUMURAWRC-STQMWFEESA-N -1 3 383.460 0.815 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575202689 952516508 /nfs/dbraw/zinc/51/65/08/952516508.db2.gz XKMXTXUMURAWRC-STQMWFEESA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)CCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001575203344 952521457 /nfs/dbraw/zinc/52/14/57/952521457.db2.gz UIZPIWIMTYYGPY-GFCCVEGCSA-N -1 3 384.448 0.543 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)CCCN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001575203344 952521462 /nfs/dbraw/zinc/52/14/62/952521462.db2.gz UIZPIWIMTYYGPY-GFCCVEGCSA-N -1 3 384.448 0.543 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575203346 952521685 /nfs/dbraw/zinc/52/16/85/952521685.db2.gz ULCCZNCWEQQPPD-GWCFXTLKSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575203346 952521690 /nfs/dbraw/zinc/52/16/90/952521690.db2.gz ULCCZNCWEQQPPD-GWCFXTLKSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575203478 952522487 /nfs/dbraw/zinc/52/24/87/952522487.db2.gz YDCGELGCQVOVSU-MFKMUULPSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575203478 952522491 /nfs/dbraw/zinc/52/24/91/952522491.db2.gz YDCGELGCQVOVSU-MFKMUULPSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575203549 952524093 /nfs/dbraw/zinc/52/40/93/952524093.db2.gz ZUKLWSJSCDEJEE-DIFFPNOSSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575203549 952524094 /nfs/dbraw/zinc/52/40/94/952524094.db2.gz ZUKLWSJSCDEJEE-DIFFPNOSSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575203538 952524119 /nfs/dbraw/zinc/52/41/19/952524119.db2.gz ZNEKAKXIBIHECN-JTNHKYCSSA-N -1 3 382.432 0.517 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575203528 952524224 /nfs/dbraw/zinc/52/42/24/952524224.db2.gz ZERCXVHHILRFQA-XSRFYTQQSA-N -1 3 382.432 0.660 20 0 GCADHM C[C@@](Cn1cccn1)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC001575205855 952526767 /nfs/dbraw/zinc/52/67/67/952526767.db2.gz FBPAZBAFXJVLGY-INIZCTEOSA-N -1 3 386.441 0.216 20 0 GCADHM C[C@@](Cn1cccn1)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC001575205855 952526773 /nfs/dbraw/zinc/52/67/73/952526773.db2.gz FBPAZBAFXJVLGY-INIZCTEOSA-N -1 3 386.441 0.216 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571123140 952529740 /nfs/dbraw/zinc/52/97/40/952529740.db2.gz QCYRACJVETWSOF-NWDGAFQWSA-N -1 3 376.442 0.382 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123410 952530207 /nfs/dbraw/zinc/53/02/07/952530207.db2.gz RMGDRPBDYVZTKJ-SNVBAGLBSA-N -1 3 376.442 0.753 20 0 GCADHM CC[C@H](F)CN1CC(N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001571123417 952531170 /nfs/dbraw/zinc/53/11/70/952531170.db2.gz RRKAJEBVHLHZQD-ZDUSSCGKSA-N -1 3 376.440 0.385 20 0 GCADHM CC[C@H](F)CN1CC(N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001571123417 952531176 /nfs/dbraw/zinc/53/11/76/952531176.db2.gz RRKAJEBVHLHZQD-ZDUSSCGKSA-N -1 3 376.440 0.385 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575207469 952533050 /nfs/dbraw/zinc/53/30/50/952533050.db2.gz QHDBQYDYRURYOA-WDEREUQCSA-N -1 3 387.423 0.930 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575207469 952533053 /nfs/dbraw/zinc/53/30/53/952533053.db2.gz QHDBQYDYRURYOA-WDEREUQCSA-N -1 3 387.423 0.930 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001575207986 952537322 /nfs/dbraw/zinc/53/73/22/952537322.db2.gz YJDPUDDKPNMYDM-GFCCVEGCSA-N -1 3 381.444 0.935 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001575207986 952537327 /nfs/dbraw/zinc/53/73/27/952537327.db2.gz YJDPUDDKPNMYDM-GFCCVEGCSA-N -1 3 381.444 0.935 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575207970 952537551 /nfs/dbraw/zinc/53/75/51/952537551.db2.gz XNVZLMMITRZJGJ-OLZOCXBDSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575207970 952537554 /nfs/dbraw/zinc/53/75/54/952537554.db2.gz XNVZLMMITRZJGJ-OLZOCXBDSA-N -1 3 383.460 0.815 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1(F)CCOCC1 ZINC001571124465 952538995 /nfs/dbraw/zinc/53/89/95/952538995.db2.gz JRFIVUKRVWACCR-NSHDSACASA-N -1 3 377.380 0.044 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1(F)CCOCC1 ZINC001571124465 952538998 /nfs/dbraw/zinc/53/89/98/952538998.db2.gz JRFIVUKRVWACCR-NSHDSACASA-N -1 3 377.380 0.044 20 0 GCADHM O=S(=O)(NC[C@@H](O)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001571124651 952542451 /nfs/dbraw/zinc/54/24/51/952542451.db2.gz QHTSESUFVRMFNJ-ZDUSSCGKSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(NC[C@@H](O)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001571124651 952542459 /nfs/dbraw/zinc/54/24/59/952542459.db2.gz QHTSESUFVRMFNJ-ZDUSSCGKSA-N -1 3 377.401 0.888 20 0 GCADHM CC(F)(F)C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001575211161 952543724 /nfs/dbraw/zinc/54/37/24/952543724.db2.gz OHTVHUMKGUNSJN-UHFFFAOYSA-N -1 3 383.359 0.245 20 0 GCADHM CC(F)(F)C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001575211161 952543729 /nfs/dbraw/zinc/54/37/29/952543729.db2.gz OHTVHUMKGUNSJN-UHFFFAOYSA-N -1 3 383.359 0.245 20 0 GCADHM CC(F)(F)C(=O)N[C@H]1COC2(CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001575211405 952545637 /nfs/dbraw/zinc/54/56/37/952545637.db2.gz RFEMQSAHHTXRSO-CYBMUJFWSA-N -1 3 378.383 0.981 20 0 GCADHM CC(F)(F)C(=O)N[C@H]1COC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001575211405 952545639 /nfs/dbraw/zinc/54/56/39/952545639.db2.gz RFEMQSAHHTXRSO-CYBMUJFWSA-N -1 3 378.383 0.981 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C1CC1 ZINC001571127119 952550176 /nfs/dbraw/zinc/55/01/76/952550176.db2.gz GOUPCCDLLXKELE-UONOGXRCSA-N -1 3 377.426 0.686 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C1CC1 ZINC001571127119 952550180 /nfs/dbraw/zinc/55/01/80/952550180.db2.gz GOUPCCDLLXKELE-UONOGXRCSA-N -1 3 377.426 0.686 20 0 GCADHM O=C(c1cncnc1)N1CC[C@@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571127177 952551699 /nfs/dbraw/zinc/55/16/99/952551699.db2.gz HPMDSOBIYRHLHX-GOSISDBHSA-N -1 3 377.412 0.794 20 0 GCADHM O=C(c1cncnc1)N1CC[C@@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571127177 952551702 /nfs/dbraw/zinc/55/17/02/952551702.db2.gz HPMDSOBIYRHLHX-GOSISDBHSA-N -1 3 377.412 0.794 20 0 GCADHM CS[C@H](C)C(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571127262 952552518 /nfs/dbraw/zinc/55/25/18/952552518.db2.gz CLAXWALSDOAKGW-SNVBAGLBSA-N -1 3 377.474 0.915 20 0 GCADHM CS[C@H](C)C(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571127262 952552526 /nfs/dbraw/zinc/55/25/26/952552526.db2.gz CLAXWALSDOAKGW-SNVBAGLBSA-N -1 3 377.474 0.915 20 0 GCADHM CC(F)(F)C(=O)N1CCC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001575212603 952555102 /nfs/dbraw/zinc/55/51/02/952555102.db2.gz LLJYNZNTTGGMHL-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CCC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001575212603 952555108 /nfs/dbraw/zinc/55/51/08/952555108.db2.gz LLJYNZNTTGGMHL-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1C1CC1 ZINC001571127499 952556519 /nfs/dbraw/zinc/55/65/19/952556519.db2.gz LARZBZMZLDFUQO-UONOGXRCSA-N -1 3 377.426 0.686 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1C1CC1 ZINC001571127499 952556521 /nfs/dbraw/zinc/55/65/21/952556521.db2.gz LARZBZMZLDFUQO-UONOGXRCSA-N -1 3 377.426 0.686 20 0 GCADHM COC(=O)[C@]12C[C@H]1C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1C)C2 ZINC001571127492 952556726 /nfs/dbraw/zinc/55/67/26/952556726.db2.gz KTNSLIVVPJEFFN-WQGACYEGSA-N -1 3 377.426 0.795 20 0 GCADHM COC(=O)[C@]12C[C@H]1C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1C)C2 ZINC001571127492 952556729 /nfs/dbraw/zinc/55/67/29/952556729.db2.gz KTNSLIVVPJEFFN-WQGACYEGSA-N -1 3 377.426 0.795 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571127506 952557043 /nfs/dbraw/zinc/55/70/43/952557043.db2.gz LIGOWGRNXDZCGU-AATLWQCWSA-N -1 3 377.430 0.500 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(c1ncccc1-c1nnn[n-]1)CC2)c1ncccn1 ZINC001571127798 952559455 /nfs/dbraw/zinc/55/94/55/952559455.db2.gz NONDVYBEPNRNAI-FZKQIMNGSA-N -1 3 377.412 0.983 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(c1ncccc1-c1nn[n-]n1)CC2)c1ncccn1 ZINC001571127798 952559458 /nfs/dbraw/zinc/55/94/58/952559458.db2.gz NONDVYBEPNRNAI-FZKQIMNGSA-N -1 3 377.412 0.983 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cncnc1C1CC1 ZINC001571127833 952560486 /nfs/dbraw/zinc/56/04/86/952560486.db2.gz ONTHCNDREYFKHB-LBPRGKRZSA-N -1 3 377.412 0.938 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cncnc1C1CC1 ZINC001571127833 952560495 /nfs/dbraw/zinc/56/04/95/952560495.db2.gz ONTHCNDREYFKHB-LBPRGKRZSA-N -1 3 377.412 0.938 20 0 GCADHM Cc1nsc(N2CCC[C@H](NC(=O)c3cnsn3)C2)c1-c1nnn[n-]1 ZINC001571128099 952563585 /nfs/dbraw/zinc/56/35/85/952563585.db2.gz PKISTNOYMPJBJH-QMMMGPOBSA-N -1 3 377.459 0.882 20 0 GCADHM CC[C@H](F)CN1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nnn[n-]3)c1)O2 ZINC001571128141 952563856 /nfs/dbraw/zinc/56/38/56/952563856.db2.gz OYCGNUOGSZCQRC-QWHCGFSZSA-N -1 3 377.424 0.906 20 0 GCADHM CC[C@H](F)CN1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001571128141 952563858 /nfs/dbraw/zinc/56/38/58/952563858.db2.gz OYCGNUOGSZCQRC-QWHCGFSZSA-N -1 3 377.424 0.906 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cncnc1C1CC1 ZINC001571128177 952564612 /nfs/dbraw/zinc/56/46/12/952564612.db2.gz PYMJEZXZWJKXQC-ZDUSSCGKSA-N -1 3 377.412 0.938 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cncnc1C1CC1 ZINC001571128177 952564615 /nfs/dbraw/zinc/56/46/15/952564615.db2.gz PYMJEZXZWJKXQC-ZDUSSCGKSA-N -1 3 377.412 0.938 20 0 GCADHM Cc1nsc(N(C)C[C@H]2CCN(C(=O)[C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC001571128343 952566161 /nfs/dbraw/zinc/56/61/61/952566161.db2.gz RIQDQFULVMJZID-NEPJUHHUSA-N -1 3 377.474 0.953 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575215494 952569061 /nfs/dbraw/zinc/56/90/61/952569061.db2.gz UVCGOVWGHDQDER-GHMZBOCLSA-N -1 3 381.387 0.609 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575215494 952569064 /nfs/dbraw/zinc/56/90/64/952569064.db2.gz UVCGOVWGHDQDER-GHMZBOCLSA-N -1 3 381.387 0.609 20 0 GCADHM COc1cccnc1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571129157 952573452 /nfs/dbraw/zinc/57/34/52/952573452.db2.gz AGDDTNYCWBENFL-IMRBUKKESA-N -1 3 378.396 0.530 20 0 GCADHM COc1cccnc1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571129157 952573456 /nfs/dbraw/zinc/57/34/56/952573456.db2.gz AGDDTNYCWBENFL-IMRBUKKESA-N -1 3 378.396 0.530 20 0 GCADHM COC(=O)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC001571129255 952574471 /nfs/dbraw/zinc/57/44/71/952574471.db2.gz BUKMHADJYVRLKL-SKDRFNHKSA-N -1 3 378.364 0.953 20 0 GCADHM COC(=O)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC001571129255 952574475 /nfs/dbraw/zinc/57/44/75/952574475.db2.gz BUKMHADJYVRLKL-SKDRFNHKSA-N -1 3 378.364 0.953 20 0 GCADHM Cc1ccncc1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571130734 952581584 /nfs/dbraw/zinc/58/15/84/952581584.db2.gz VVSRXPPRLJTDJO-NHAGDIPZSA-N -1 3 378.396 0.399 20 0 GCADHM Cc1ccncc1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571130734 952581588 /nfs/dbraw/zinc/58/15/88/952581588.db2.gz VVSRXPPRLJTDJO-NHAGDIPZSA-N -1 3 378.396 0.399 20 0 GCADHM CN(C)c1ccc(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001571135631 952606780 /nfs/dbraw/zinc/60/67/80/952606780.db2.gz ZKLZAVBDWKLOPW-UHFFFAOYSA-N -1 3 378.440 0.942 20 0 GCADHM CN(C)c1ccc(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC001571135631 952606784 /nfs/dbraw/zinc/60/67/84/952606784.db2.gz ZKLZAVBDWKLOPW-UHFFFAOYSA-N -1 3 378.440 0.942 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)c1cc[nH]c(=O)c1 ZINC001571135772 952607941 /nfs/dbraw/zinc/60/79/41/952607941.db2.gz DCQRBIYOGVPCTL-RDBSUJKOSA-N -1 3 378.396 0.902 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)c1cc[nH]c(=O)c1 ZINC001571135772 952607942 /nfs/dbraw/zinc/60/79/42/952607942.db2.gz DCQRBIYOGVPCTL-RDBSUJKOSA-N -1 3 378.396 0.902 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001571135822 952608789 /nfs/dbraw/zinc/60/87/89/952608789.db2.gz FICTWYUWIQJIHV-HNNXBMFYSA-N -1 3 378.414 0.480 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC001571135822 952608793 /nfs/dbraw/zinc/60/87/93/952608793.db2.gz FICTWYUWIQJIHV-HNNXBMFYSA-N -1 3 378.414 0.480 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1Cn1nnc(C(C)(C)S(C)(=O)=O)n1 ZINC001571135843 952608819 /nfs/dbraw/zinc/60/88/19/952608819.db2.gz GALTXAXATGRQCK-UHFFFAOYSA-N -1 3 378.418 0.190 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1Cn1nnc(C(C)(C)S(C)(=O)=O)n1 ZINC001571135843 952608823 /nfs/dbraw/zinc/60/88/23/952608823.db2.gz GALTXAXATGRQCK-UHFFFAOYSA-N -1 3 378.418 0.190 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1(F)CCOCC1 ZINC001571139048 952618041 /nfs/dbraw/zinc/61/80/41/952618041.db2.gz AYNKQRHCKSYAER-NSHDSACASA-N -1 3 379.371 0.614 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1(F)CCOCC1 ZINC001571139048 952618045 /nfs/dbraw/zinc/61/80/45/952618045.db2.gz AYNKQRHCKSYAER-NSHDSACASA-N -1 3 379.371 0.614 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571139352 952620363 /nfs/dbraw/zinc/62/03/63/952620363.db2.gz GNLMMQPJEAMUJW-BBBLOLIVSA-N -1 3 379.371 0.674 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571139352 952620365 /nfs/dbraw/zinc/62/03/65/952620365.db2.gz GNLMMQPJEAMUJW-BBBLOLIVSA-N -1 3 379.371 0.674 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001571139988 952622296 /nfs/dbraw/zinc/62/22/96/952622296.db2.gz MKKSNZYXTHMMJK-VWYCJHECSA-N -1 3 379.371 0.769 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001571139988 952622300 /nfs/dbraw/zinc/62/23/00/952622300.db2.gz MKKSNZYXTHMMJK-VWYCJHECSA-N -1 3 379.371 0.769 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571139991 952622373 /nfs/dbraw/zinc/62/23/73/952622373.db2.gz MLMRXCJQGJDTCV-LBPRGKRZSA-N -1 3 379.384 0.082 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571139991 952622378 /nfs/dbraw/zinc/62/23/78/952622378.db2.gz MLMRXCJQGJDTCV-LBPRGKRZSA-N -1 3 379.384 0.082 20 0 GCADHM O=C(NC1CC(CNC(=O)[C@H]2CCC2(F)F)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571140057 952623331 /nfs/dbraw/zinc/62/33/31/952623331.db2.gz OGDVRKZBQGJQGO-BOBPJJCASA-N -1 3 379.371 0.865 20 0 GCADHM O=C(NC1CC(CNC(=O)[C@H]2CCC2(F)F)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571140057 952623332 /nfs/dbraw/zinc/62/33/32/952623332.db2.gz OGDVRKZBQGJQGO-BOBPJJCASA-N -1 3 379.371 0.865 20 0 GCADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001571140146 952623766 /nfs/dbraw/zinc/62/37/66/952623766.db2.gz ONVBKONITOGSPE-YUMQZZPRSA-N -1 3 379.352 0.194 20 0 GCADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001571140146 952623772 /nfs/dbraw/zinc/62/37/72/952623772.db2.gz ONVBKONITOGSPE-YUMQZZPRSA-N -1 3 379.352 0.194 20 0 GCADHM O=C(CC1CC(F)(F)C1)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571140311 952624573 /nfs/dbraw/zinc/62/45/73/952624573.db2.gz PQMJIEXWUHLHMS-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(CC1CC(F)(F)C1)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571140311 952624577 /nfs/dbraw/zinc/62/45/77/952624577.db2.gz PQMJIEXWUHLHMS-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001571140281 952624743 /nfs/dbraw/zinc/62/47/43/952624743.db2.gz PKYHFJQSGSRJLS-WDEREUQCSA-N -1 3 379.371 0.913 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001571140281 952624747 /nfs/dbraw/zinc/62/47/47/952624747.db2.gz PKYHFJQSGSRJLS-WDEREUQCSA-N -1 3 379.371 0.913 20 0 GCADHM Cc1cccc(C)c1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001571140828 952629522 /nfs/dbraw/zinc/62/95/22/952629522.db2.gz HFNTYZDGRVSFEI-HUUCEWRRSA-N -1 3 379.424 0.858 20 0 GCADHM Cc1cccc(C)c1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001571140828 952629523 /nfs/dbraw/zinc/62/95/23/952629523.db2.gz HFNTYZDGRVSFEI-HUUCEWRRSA-N -1 3 379.424 0.858 20 0 GCADHM CCN1C[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)CC1=O ZINC001571141064 952630789 /nfs/dbraw/zinc/63/07/89/952630789.db2.gz GGMGUQRWGQCRSP-MRVPVSSYSA-N -1 3 379.218 0.980 20 0 GCADHM CCN1C[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)CC1=O ZINC001571141064 952630792 /nfs/dbraw/zinc/63/07/92/952630792.db2.gz GGMGUQRWGQCRSP-MRVPVSSYSA-N -1 3 379.218 0.980 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1)[C@@H]1CC1(F)F ZINC001571141329 952632545 /nfs/dbraw/zinc/63/25/45/952632545.db2.gz XMMFQPTTYCACPA-RYUDHWBXSA-N -1 3 379.371 0.628 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1)[C@@H]1CC1(F)F ZINC001571141329 952632546 /nfs/dbraw/zinc/63/25/46/952632546.db2.gz XMMFQPTTYCACPA-RYUDHWBXSA-N -1 3 379.371 0.628 20 0 GCADHM O=C(CO[C@H]1CCOC1)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571142316 952639958 /nfs/dbraw/zinc/63/99/58/952639958.db2.gz OXWOZMWWXBDZSB-LBPRGKRZSA-N -1 3 378.458 0.378 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001571142725 952645327 /nfs/dbraw/zinc/64/53/27/952645327.db2.gz WRLQDPPFWIWDSS-TVQRCGJNSA-N -1 3 378.458 0.600 20 0 GCADHM O=C(CCc1cncnc1)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571146043 952646880 /nfs/dbraw/zinc/64/68/80/952646880.db2.gz ATNOKPWQKPISEM-UHFFFAOYSA-N -1 3 379.428 0.723 20 0 GCADHM O=C(CCc1cncnc1)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571146043 952646884 /nfs/dbraw/zinc/64/68/84/952646884.db2.gz ATNOKPWQKPISEM-UHFFFAOYSA-N -1 3 379.428 0.723 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnc2n1CCCC2 ZINC001571146243 952647546 /nfs/dbraw/zinc/64/75/46/952647546.db2.gz DWDZBWMGRJIESG-GFCCVEGCSA-N -1 3 379.428 0.803 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnc2n1CCCC2 ZINC001571146243 952647553 /nfs/dbraw/zinc/64/75/53/952647553.db2.gz DWDZBWMGRJIESG-GFCCVEGCSA-N -1 3 379.428 0.803 20 0 GCADHM O=C(C1CC1)N1CC(n2cc(CNCc3ccc(-c4nn[n-]n4)cc3)nn2)C1 ZINC001571146220 952648413 /nfs/dbraw/zinc/64/84/13/952648413.db2.gz DOIXGQNDIVNBQT-UHFFFAOYSA-N -1 3 379.428 0.541 20 0 GCADHM O=C(Cn1ccnc1)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC001571146674 952651487 /nfs/dbraw/zinc/65/14/87/952651487.db2.gz LIIXUVIUQUSFHL-GJZGRUSLSA-N -1 3 379.428 0.998 20 0 GCADHM O=C(Cn1ccnc1)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC001571146674 952651491 /nfs/dbraw/zinc/65/14/91/952651491.db2.gz LIIXUVIUQUSFHL-GJZGRUSLSA-N -1 3 379.428 0.998 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571146826 952653668 /nfs/dbraw/zinc/65/36/68/952653668.db2.gz NGTRNKSOCUCHJS-KGLIPLIRSA-N -1 3 379.428 0.879 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571146826 952653672 /nfs/dbraw/zinc/65/36/72/952653672.db2.gz NGTRNKSOCUCHJS-KGLIPLIRSA-N -1 3 379.428 0.879 20 0 GCADHM O=C(c1cc2n(n1)CCCC2)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571146891 952654468 /nfs/dbraw/zinc/65/44/68/952654468.db2.gz OXTZTEIXKCOELH-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM O=C(c1cc2n(n1)CCCC2)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571146891 952654471 /nfs/dbraw/zinc/65/44/71/952654471.db2.gz OXTZTEIXKCOELH-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001571146918 952654501 /nfs/dbraw/zinc/65/45/01/952654501.db2.gz CVXBZJXANKWUAF-IHRRRGAJSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001571146918 952654502 /nfs/dbraw/zinc/65/45/02/952654502.db2.gz CVXBZJXANKWUAF-IHRRRGAJSA-N -1 3 379.428 0.899 20 0 GCADHM CN(C)c1ccnc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571147160 952657902 /nfs/dbraw/zinc/65/79/02/952657902.db2.gz HVAJIPYKORSMEV-GFCCVEGCSA-N -1 3 379.428 0.731 20 0 GCADHM CN(C)c1ccnc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571147160 952657905 /nfs/dbraw/zinc/65/79/05/952657905.db2.gz HVAJIPYKORSMEV-GFCCVEGCSA-N -1 3 379.428 0.731 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2nccn2C1 ZINC001571147109 952658005 /nfs/dbraw/zinc/65/80/05/952658005.db2.gz TUMUPMMLRAJUIN-MCIONIFRSA-N -1 3 379.428 0.780 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2nccn2C1 ZINC001571147109 952658010 /nfs/dbraw/zinc/65/80/10/952658010.db2.gz TUMUPMMLRAJUIN-MCIONIFRSA-N -1 3 379.428 0.780 20 0 GCADHM CCc1nnc(C)cc1C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571147509 952662428 /nfs/dbraw/zinc/66/24/28/952662428.db2.gz MNHHRXFBKRYUPJ-LBPRGKRZSA-N -1 3 379.428 0.931 20 0 GCADHM CCc1nnc(C)cc1C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571147509 952662430 /nfs/dbraw/zinc/66/24/30/952662430.db2.gz MNHHRXFBKRYUPJ-LBPRGKRZSA-N -1 3 379.428 0.931 20 0 GCADHM CN(C)c1ncccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571148208 952665306 /nfs/dbraw/zinc/66/53/06/952665306.db2.gz VKSOHBOFKMZXCY-ZDUSSCGKSA-N -1 3 379.428 0.731 20 0 GCADHM CN(C)c1ncccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571148208 952665307 /nfs/dbraw/zinc/66/53/07/952665307.db2.gz VKSOHBOFKMZXCY-ZDUSSCGKSA-N -1 3 379.428 0.731 20 0 GCADHM CCc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)[nH]n1 ZINC001571148086 952665697 /nfs/dbraw/zinc/66/56/97/952665697.db2.gz URAJBLXYDYOHEU-ZSOGYDGISA-N -1 3 379.428 0.659 20 0 GCADHM CCc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)[nH]n1 ZINC001571148086 952665701 /nfs/dbraw/zinc/66/57/01/952665701.db2.gz URAJBLXYDYOHEU-ZSOGYDGISA-N -1 3 379.428 0.659 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn3c(n2)CCC3)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571148421 952667103 /nfs/dbraw/zinc/66/71/03/952667103.db2.gz ZCUPUZOFLDRZKT-YPMHNXCESA-N -1 3 379.428 0.802 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn3c(n2)CCC3)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571148421 952667104 /nfs/dbraw/zinc/66/71/04/952667104.db2.gz ZCUPUZOFLDRZKT-YPMHNXCESA-N -1 3 379.428 0.802 20 0 GCADHM Cc1ccc(CNC(=O)N2CCC(S(N)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC001571150814 952670347 /nfs/dbraw/zinc/67/03/47/952670347.db2.gz FZTUVZIJPMBTDZ-UHFFFAOYSA-N -1 3 379.446 0.138 20 0 GCADHM Cc1ccc(CNC(=O)N2CCC(S(N)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC001571150814 952670350 /nfs/dbraw/zinc/67/03/50/952670350.db2.gz FZTUVZIJPMBTDZ-UHFFFAOYSA-N -1 3 379.446 0.138 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)ccc1-c1nn[n-]n1 ZINC001571150840 952670367 /nfs/dbraw/zinc/67/03/67/952670367.db2.gz HFAXHBAKJITSPP-WDEREUQCSA-N -1 3 379.446 0.016 20 0 GCADHM Cc1nsc(N2CC[C@@H](N(C)C(=O)[C@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571150856 952671339 /nfs/dbraw/zinc/67/13/39/952671339.db2.gz HQHAJDPEURAWOM-GHMZBOCLSA-N -1 3 379.446 0.084 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001571151009 952671664 /nfs/dbraw/zinc/67/16/64/952671664.db2.gz IUCJAPMZHCZRAE-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001571151009 952671670 /nfs/dbraw/zinc/67/16/70/952671670.db2.gz IUCJAPMZHCZRAE-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM Cc1nsc(N2CC[C@H](N(C)C(=O)[C@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571150859 952671708 /nfs/dbraw/zinc/67/17/08/952671708.db2.gz HQHAJDPEURAWOM-WDEREUQCSA-N -1 3 379.446 0.084 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)n1 ZINC001571150873 952671897 /nfs/dbraw/zinc/67/18/97/952671897.db2.gz HZUDOEKDDGKBMW-GHMZBOCLSA-N -1 3 379.446 0.016 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)n1 ZINC001571150873 952671900 /nfs/dbraw/zinc/67/19/00/952671900.db2.gz HZUDOEKDDGKBMW-GHMZBOCLSA-N -1 3 379.446 0.016 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001571151868 952680139 /nfs/dbraw/zinc/68/01/39/952680139.db2.gz ZOQFPFSBFWQIHJ-FRRDWIJNSA-N -1 3 379.442 0.657 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001571151868 952680143 /nfs/dbraw/zinc/68/01/43/952680143.db2.gz ZOQFPFSBFWQIHJ-FRRDWIJNSA-N -1 3 379.442 0.657 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@H]1COCCO1 ZINC001571152565 952682280 /nfs/dbraw/zinc/68/22/80/952682280.db2.gz GUYAYBVUUJBABI-JFGNBEQYSA-N -1 3 379.808 0.390 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@H]1COCCO1 ZINC001571152565 952682282 /nfs/dbraw/zinc/68/22/82/952682282.db2.gz GUYAYBVUUJBABI-JFGNBEQYSA-N -1 3 379.808 0.390 20 0 GCADHM O=C(NCCn1cnccc1=O)c1cnc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001571153359 952686444 /nfs/dbraw/zinc/68/64/44/952686444.db2.gz PNQRSSBIZWEVAN-UHFFFAOYSA-N -1 3 380.290 0.267 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001571155023 952691475 /nfs/dbraw/zinc/69/14/75/952691475.db2.gz DXONTSOUKYMIPK-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001571155023 952691479 /nfs/dbraw/zinc/69/14/79/952691479.db2.gz DXONTSOUKYMIPK-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571155092 952692526 /nfs/dbraw/zinc/69/25/26/952692526.db2.gz HNVMHAJEVAQWAA-CYBMUJFWSA-N -1 3 380.412 0.773 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571155092 952692529 /nfs/dbraw/zinc/69/25/29/952692529.db2.gz HNVMHAJEVAQWAA-CYBMUJFWSA-N -1 3 380.412 0.773 20 0 GCADHM CN(C(=O)c1cccn(C)c1=O)C1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571155100 952692662 /nfs/dbraw/zinc/69/26/62/952692662.db2.gz HVOJSFSSRDOUKN-UHFFFAOYSA-N -1 3 380.412 0.676 20 0 GCADHM CN(C(=O)c1cccn(C)c1=O)C1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571155100 952692665 /nfs/dbraw/zinc/69/26/65/952692665.db2.gz HVOJSFSSRDOUKN-UHFFFAOYSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001571155154 952693427 /nfs/dbraw/zinc/69/34/27/952693427.db2.gz JDVZOLROBBXPFR-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001571155154 952693428 /nfs/dbraw/zinc/69/34/28/952693428.db2.gz JDVZOLROBBXPFR-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CN1C(=O)c1ccn(C)c(=O)c1 ZINC001571155268 952694706 /nfs/dbraw/zinc/69/47/06/952694706.db2.gz MJMDRLQYTUPBSY-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CN1C(=O)c1ccn(C)c(=O)c1 ZINC001571155268 952694709 /nfs/dbraw/zinc/69/47/09/952694709.db2.gz MJMDRLQYTUPBSY-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001571155444 952696464 /nfs/dbraw/zinc/69/64/64/952696464.db2.gz SANNRSOISHCFMN-AWEZNQCLSA-N -1 3 380.412 0.311 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001571155444 952696467 /nfs/dbraw/zinc/69/64/67/952696467.db2.gz SANNRSOISHCFMN-AWEZNQCLSA-N -1 3 380.412 0.311 20 0 GCADHM O=C(c1ccnnc1)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571155447 952696516 /nfs/dbraw/zinc/69/65/16/952696516.db2.gz SBYJRGUKIYHBEO-KBPBESRZSA-N -1 3 380.387 0.895 20 0 GCADHM O=C(c1ccnnc1)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571155447 952696521 /nfs/dbraw/zinc/69/65/21/952696521.db2.gz SBYJRGUKIYHBEO-KBPBESRZSA-N -1 3 380.387 0.895 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(Cc2cccc(C(N)=O)c2)C1 ZINC001571155387 952697166 /nfs/dbraw/zinc/69/71/66/952697166.db2.gz QBKHHKDBDKKNIM-UHFFFAOYSA-N -1 3 380.412 0.250 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(Cc2cccc(C(N)=O)c2)C1 ZINC001571155387 952697169 /nfs/dbraw/zinc/69/71/69/952697169.db2.gz QBKHHKDBDKKNIM-UHFFFAOYSA-N -1 3 380.412 0.250 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1cn(C)ccc1=O ZINC001571155726 952698757 /nfs/dbraw/zinc/69/87/57/952698757.db2.gz YNNHASYQEHZXPW-DGCLKSJQSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1cn(C)ccc1=O ZINC001571155726 952698759 /nfs/dbraw/zinc/69/87/59/952698759.db2.gz YNNHASYQEHZXPW-DGCLKSJQSA-N -1 3 380.412 0.676 20 0 GCADHM Cc1cnc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)cn1 ZINC001571156722 952703225 /nfs/dbraw/zinc/70/32/25/952703225.db2.gz HTKLWEASIWHKOK-WQVCFCJDSA-N -1 3 379.428 0.829 20 0 GCADHM Cc1cnc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)cn1 ZINC001571156722 952703229 /nfs/dbraw/zinc/70/32/29/952703229.db2.gz HTKLWEASIWHKOK-WQVCFCJDSA-N -1 3 379.428 0.829 20 0 GCADHM Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)n1 ZINC001571156863 952705896 /nfs/dbraw/zinc/70/58/96/952705896.db2.gz LUNKAJJMBFLUNR-SWLSCSKDSA-N -1 3 379.428 0.953 20 0 GCADHM Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)n1 ZINC001571156863 952705901 /nfs/dbraw/zinc/70/59/01/952705901.db2.gz LUNKAJJMBFLUNR-SWLSCSKDSA-N -1 3 379.428 0.953 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)n(C)n1 ZINC001571157260 952706869 /nfs/dbraw/zinc/70/68/69/952706869.db2.gz ODWCCINZAQNCIH-SWLSCSKDSA-N -1 3 379.428 0.655 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)n(C)n1 ZINC001571157260 952706872 /nfs/dbraw/zinc/70/68/72/952706872.db2.gz ODWCCINZAQNCIH-SWLSCSKDSA-N -1 3 379.428 0.655 20 0 GCADHM Cc1ccc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001571157910 952707766 /nfs/dbraw/zinc/70/77/66/952707766.db2.gz CJIATPKBBUNLHB-HNNXBMFYSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1ccc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001571157910 952707769 /nfs/dbraw/zinc/70/77/69/952707769.db2.gz CJIATPKBBUNLHB-HNNXBMFYSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC001571158533 952712390 /nfs/dbraw/zinc/71/23/90/952712390.db2.gz KWPISVCLYYLYKI-HNNXBMFYSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC001571158533 952712394 /nfs/dbraw/zinc/71/23/94/952712394.db2.gz KWPISVCLYYLYKI-HNNXBMFYSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001571158707 952713236 /nfs/dbraw/zinc/71/32/36/952713236.db2.gz MWKRUMLQQOQXHC-CQSZACIVSA-N -1 3 380.412 0.472 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001571158707 952713239 /nfs/dbraw/zinc/71/32/39/952713239.db2.gz MWKRUMLQQOQXHC-CQSZACIVSA-N -1 3 380.412 0.472 20 0 GCADHM Cc1cccc(C(=O)N(C)[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571159222 952717053 /nfs/dbraw/zinc/71/70/53/952717053.db2.gz RBMHPXPEWGECGY-LBPRGKRZSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cccc(C(=O)N(C)[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571159222 952717060 /nfs/dbraw/zinc/71/70/60/952717060.db2.gz RBMHPXPEWGECGY-LBPRGKRZSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c(=O)[nH]1 ZINC001571159249 952717329 /nfs/dbraw/zinc/71/73/29/952717329.db2.gz RSNXCGGFGZHDAU-GFCCVEGCSA-N -1 3 380.412 0.988 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c(=O)[nH]1 ZINC001571159249 952717336 /nfs/dbraw/zinc/71/73/36/952717336.db2.gz RSNXCGGFGZHDAU-GFCCVEGCSA-N -1 3 380.412 0.988 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)cn1C ZINC001571159327 952718445 /nfs/dbraw/zinc/71/84/45/952718445.db2.gz UPEXOFFRPFNDOX-LBPRGKRZSA-N -1 3 380.412 0.595 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)cn1C ZINC001571159327 952718449 /nfs/dbraw/zinc/71/84/49/952718449.db2.gz UPEXOFFRPFNDOX-LBPRGKRZSA-N -1 3 380.412 0.595 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](C)[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)n1 ZINC001571159537 952719461 /nfs/dbraw/zinc/71/94/61/952719461.db2.gz XMUFYKGRANEGJH-QMTHXVAHSA-N -1 3 380.412 0.925 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](C)[C@H](NC(=O)c3ccc(=O)[nH]c3)C2)n1 ZINC001571159537 952719465 /nfs/dbraw/zinc/71/94/65/952719465.db2.gz XMUFYKGRANEGJH-QMTHXVAHSA-N -1 3 380.412 0.925 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c(=O)[nH]1 ZINC001571159479 952720094 /nfs/dbraw/zinc/72/00/94/952720094.db2.gz WBDHACNBWYXUJT-GFCCVEGCSA-N -1 3 380.412 0.927 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c(=O)[nH]1 ZINC001571159479 952720097 /nfs/dbraw/zinc/72/00/97/952720097.db2.gz WBDHACNBWYXUJT-GFCCVEGCSA-N -1 3 380.412 0.927 20 0 GCADHM C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571159651 952720782 /nfs/dbraw/zinc/72/07/82/952720782.db2.gz YITSZPUAJIXRPX-BXUZGUMPSA-N -1 3 380.412 0.533 20 0 GCADHM C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571159651 952720785 /nfs/dbraw/zinc/72/07/85/952720785.db2.gz YITSZPUAJIXRPX-BXUZGUMPSA-N -1 3 380.412 0.533 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3ccccn3)[C@@H](O)C2)n1 ZINC001571159550 952721183 /nfs/dbraw/zinc/72/11/83/952721183.db2.gz XVWYFIOMGXTSHQ-HIFRSBDPSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)c3ccccn3)[C@@H](O)C2)n1 ZINC001571159550 952721185 /nfs/dbraw/zinc/72/11/85/952721185.db2.gz XVWYFIOMGXTSHQ-HIFRSBDPSA-N -1 3 380.412 0.335 20 0 GCADHM COc1ccc(CN2CC(NC(=O)c3ccc(C)nn3)C2)cc1-c1nnn[n-]1 ZINC001571159712 952721757 /nfs/dbraw/zinc/72/17/57/952721757.db2.gz ZGELLCFEVROZSI-UHFFFAOYSA-N -1 3 380.412 0.588 20 0 GCADHM COc1ccc(CN2CC(NC(=O)c3ccc(C)nn3)C2)cc1-c1nn[n-]n1 ZINC001571159712 952721759 /nfs/dbraw/zinc/72/17/59/952721759.db2.gz ZGELLCFEVROZSI-UHFFFAOYSA-N -1 3 380.412 0.588 20 0 GCADHM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)n(C)n1 ZINC001571159794 952721889 /nfs/dbraw/zinc/72/18/89/952721889.db2.gz WYIWISNRGHPNFW-UGFHNGPFSA-N -1 3 379.428 0.843 20 0 GCADHM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)n(C)n1 ZINC001571159794 952721895 /nfs/dbraw/zinc/72/18/95/952721895.db2.gz WYIWISNRGHPNFW-UGFHNGPFSA-N -1 3 379.428 0.843 20 0 GCADHM Cc1[nH]ccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571159765 952722101 /nfs/dbraw/zinc/72/21/01/952722101.db2.gz ZZDSDCXQIDIXGJ-BETUJISGSA-N -1 3 380.412 0.961 20 0 GCADHM Cc1[nH]ccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571159765 952722106 /nfs/dbraw/zinc/72/21/06/952722106.db2.gz ZZDSDCXQIDIXGJ-BETUJISGSA-N -1 3 380.412 0.961 20 0 GCADHM O=C(CCc1cccnc1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571160674 952727451 /nfs/dbraw/zinc/72/74/51/952727451.db2.gz LGMDHJARGTYNPT-CQSZACIVSA-N -1 3 380.412 0.553 20 0 GCADHM O=C(CCc1cccnc1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571160674 952727454 /nfs/dbraw/zinc/72/74/54/952727454.db2.gz LGMDHJARGTYNPT-CQSZACIVSA-N -1 3 380.412 0.553 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571160831 952728410 /nfs/dbraw/zinc/72/84/10/952728410.db2.gz MVMSOTBCGNNOKT-GFCCVEGCSA-N -1 3 380.412 0.790 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571160831 952728414 /nfs/dbraw/zinc/72/84/14/952728414.db2.gz MVMSOTBCGNNOKT-GFCCVEGCSA-N -1 3 380.412 0.790 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001571160997 952729185 /nfs/dbraw/zinc/72/91/85/952729185.db2.gz OJDFQDHUGGAHHV-LBPRGKRZSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001571160997 952729189 /nfs/dbraw/zinc/72/91/89/952729189.db2.gz OJDFQDHUGGAHHV-LBPRGKRZSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(Cn1ccccc1=O)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571161059 952731091 /nfs/dbraw/zinc/73/10/91/952731091.db2.gz PROAMSDKRYMZRV-UHFFFAOYSA-N -1 3 380.412 0.162 20 0 GCADHM O=C(Cn1ccccc1=O)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571161059 952731095 /nfs/dbraw/zinc/73/10/95/952731095.db2.gz PROAMSDKRYMZRV-UHFFFAOYSA-N -1 3 380.412 0.162 20 0 GCADHM Cc1cncc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)c1 ZINC001571161397 952731761 /nfs/dbraw/zinc/73/17/61/952731761.db2.gz UTJQNIQLIYAORL-HNNXBMFYSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1cncc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)c1 ZINC001571161397 952731765 /nfs/dbraw/zinc/73/17/65/952731765.db2.gz UTJQNIQLIYAORL-HNNXBMFYSA-N -1 3 380.412 0.600 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2ccccn2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571161472 952733368 /nfs/dbraw/zinc/73/33/68/952733368.db2.gz WTFSBBNCTXKVTC-GFCCVEGCSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2ccccn2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571161472 952733372 /nfs/dbraw/zinc/73/33/72/952733372.db2.gz WTFSBBNCTXKVTC-GFCCVEGCSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1cc[nH]c1)C2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571161609 952734499 /nfs/dbraw/zinc/73/44/99/952734499.db2.gz YSMBMDSGNWVPQE-UGSOOPFHSA-N -1 3 380.412 0.948 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1cc[nH]c1)C2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571161609 952734503 /nfs/dbraw/zinc/73/45/03/952734503.db2.gz YSMBMDSGNWVPQE-UGSOOPFHSA-N -1 3 380.412 0.948 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1ccncc1 ZINC001571161657 952734558 /nfs/dbraw/zinc/73/45/58/952734558.db2.gz ZZYZYEDYDRCWCT-UHFFFAOYSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1ccncc1 ZINC001571161657 952734563 /nfs/dbraw/zinc/73/45/63/952734563.db2.gz ZZYZYEDYDRCWCT-UHFFFAOYSA-N -1 3 380.412 0.872 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)n2cncn2)n1 ZINC001571162125 952739422 /nfs/dbraw/zinc/73/94/22/952739422.db2.gz LGNPUIDBIHAQEF-AGIUHOORSA-N -1 3 380.416 0.212 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)n2cncn2)n1 ZINC001571162125 952739425 /nfs/dbraw/zinc/73/94/25/952739425.db2.gz LGNPUIDBIHAQEF-AGIUHOORSA-N -1 3 380.416 0.212 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H]3CN(C(=O)c4nc[nH]n4)CC[C@@H]32)n1 ZINC001571162261 952740871 /nfs/dbraw/zinc/74/08/71/952740871.db2.gz OZPFQPRCQZTMRU-AAEUAGOBSA-N -1 3 380.416 0.429 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H]3CN(C(=O)c4nc[nH]n4)CC[C@@H]32)n1 ZINC001571162264 952741108 /nfs/dbraw/zinc/74/11/08/952741108.db2.gz OZPFQPRCQZTMRU-YPMHNXCESA-N -1 3 380.416 0.429 20 0 GCADHM Cc1cc(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)[nH]n1 ZINC001571162274 952741299 /nfs/dbraw/zinc/74/12/99/952741299.db2.gz PKSUDWWJCVEBLE-KRWDZBQOSA-N -1 3 380.416 0.431 20 0 GCADHM Cc1cc(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)[nH]n1 ZINC001571162274 952741301 /nfs/dbraw/zinc/74/13/01/952741301.db2.gz PKSUDWWJCVEBLE-KRWDZBQOSA-N -1 3 380.416 0.431 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3CCN(C(=O)c4cnn(C)n4)[C@@H]3C2)n1 ZINC001571162398 952743456 /nfs/dbraw/zinc/74/34/56/952743456.db2.gz STBQNXAIMPIOBR-SMDDNHRTSA-N -1 3 380.416 0.050 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3CCN(C(=O)c4cnn(C)n4)[C@@H]3C2)n1 ZINC001571162398 952743462 /nfs/dbraw/zinc/74/34/62/952743462.db2.gz STBQNXAIMPIOBR-SMDDNHRTSA-N -1 3 380.416 0.050 20 0 GCADHM O=C(Cn1cc(C2CC2)nn1)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571165069 952747070 /nfs/dbraw/zinc/74/70/70/952747070.db2.gz BSDQNMHHNBXCCF-LBPRGKRZSA-N -1 3 380.416 0.126 20 0 GCADHM O=C(Cn1cc(C2CC2)nn1)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571165069 952747075 /nfs/dbraw/zinc/74/70/75/952747075.db2.gz BSDQNMHHNBXCCF-LBPRGKRZSA-N -1 3 380.416 0.126 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C23CCC3)n1 ZINC001571165126 952747461 /nfs/dbraw/zinc/74/74/61/952747461.db2.gz CMFDGZKEULXKRC-ZIAGYGMSSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C23CCC3)n1 ZINC001571165126 952747467 /nfs/dbraw/zinc/74/74/67/952747467.db2.gz CMFDGZKEULXKRC-ZIAGYGMSSA-N -1 3 380.416 0.543 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571165100 952747773 /nfs/dbraw/zinc/74/77/73/952747773.db2.gz CBTZCXMGIWHRCV-CYBMUJFWSA-N -1 3 380.416 0.098 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571165100 952747776 /nfs/dbraw/zinc/74/77/76/952747776.db2.gz CBTZCXMGIWHRCV-CYBMUJFWSA-N -1 3 380.416 0.098 20 0 GCADHM Cn1ncc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ncccc2-c2nnn[n-]2)n1 ZINC001571165186 952748374 /nfs/dbraw/zinc/74/83/74/952748374.db2.gz FHAXUCNBIKMRKP-UONOGXRCSA-N -1 3 380.416 0.274 20 0 GCADHM Cn1ncc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2ncccc2-c2nn[n-]n2)n1 ZINC001571165186 952748376 /nfs/dbraw/zinc/74/83/76/952748376.db2.gz FHAXUCNBIKMRKP-UONOGXRCSA-N -1 3 380.416 0.274 20 0 GCADHM Cn1ncc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001571165190 952748893 /nfs/dbraw/zinc/74/88/93/952748893.db2.gz FILRVAMAJDLSSP-YOGCLGLASA-N -1 3 380.416 0.320 20 0 GCADHM Cn1ncc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001571165190 952748895 /nfs/dbraw/zinc/74/88/95/952748895.db2.gz FILRVAMAJDLSSP-YOGCLGLASA-N -1 3 380.416 0.320 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001571165476 952750756 /nfs/dbraw/zinc/75/07/56/952750756.db2.gz HUNHOGXFUCRVQR-QWHCGFSZSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001571165476 952750759 /nfs/dbraw/zinc/75/07/59/952750759.db2.gz HUNHOGXFUCRVQR-QWHCGFSZSA-N -1 3 380.416 0.543 20 0 GCADHM COc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC001571165558 952751647 /nfs/dbraw/zinc/75/16/47/952751647.db2.gz DZOBPDBFWUMNDD-GXSJLCMTSA-N -1 3 380.430 0.963 20 0 GCADHM COc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001571165558 952751652 /nfs/dbraw/zinc/75/16/52/952751652.db2.gz DZOBPDBFWUMNDD-GXSJLCMTSA-N -1 3 380.430 0.963 20 0 GCADHM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571165800 952755114 /nfs/dbraw/zinc/75/51/14/952755114.db2.gz LGGQVTNAUXCWNP-QJPTWQEYSA-N -1 3 380.416 0.269 20 0 GCADHM Cc1nc(N2CC[C@@H]3CN(C(=O)c4nc[nH]n4)CC[C@@H]32)ccc1-c1nn[n-]n1 ZINC001571165975 952757153 /nfs/dbraw/zinc/75/71/53/952757153.db2.gz MIWDZKAEMFMTGX-YPMHNXCESA-N -1 3 380.416 0.429 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571166121 952758279 /nfs/dbraw/zinc/75/82/79/952758279.db2.gz OFGKCFVTPBBBMO-GUYCJALGSA-N -1 3 380.416 0.620 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571166121 952758286 /nfs/dbraw/zinc/75/82/86/952758286.db2.gz OFGKCFVTPBBBMO-GUYCJALGSA-N -1 3 380.416 0.620 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571166122 952758527 /nfs/dbraw/zinc/75/85/27/952758527.db2.gz OFGKCFVTPBBBMO-SUMWQHHRSA-N -1 3 380.416 0.620 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571166122 952758529 /nfs/dbraw/zinc/75/85/29/952758529.db2.gz OFGKCFVTPBBBMO-SUMWQHHRSA-N -1 3 380.416 0.620 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571166089 952758755 /nfs/dbraw/zinc/75/87/55/952758755.db2.gz NIOHEXBDWOXAQW-OBJOEFQTSA-N -1 3 380.416 0.027 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571166089 952758758 /nfs/dbraw/zinc/75/87/58/952758758.db2.gz NIOHEXBDWOXAQW-OBJOEFQTSA-N -1 3 380.416 0.027 20 0 GCADHM O=C(c1nc[nH]n1)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001571166248 952759781 /nfs/dbraw/zinc/75/97/81/952759781.db2.gz KNIPQRZEWYKOKZ-UHFFFAOYSA-N -1 3 380.416 0.513 20 0 GCADHM O=C(c1nc[nH]n1)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001571166248 952759785 /nfs/dbraw/zinc/75/97/85/952759785.db2.gz KNIPQRZEWYKOKZ-UHFFFAOYSA-N -1 3 380.416 0.513 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571166368 952760788 /nfs/dbraw/zinc/76/07/88/952760788.db2.gz RCBMPNZQTONOMG-ABAIWWIYSA-N -1 3 380.416 0.131 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571166368 952760789 /nfs/dbraw/zinc/76/07/89/952760789.db2.gz RCBMPNZQTONOMG-ABAIWWIYSA-N -1 3 380.416 0.131 20 0 GCADHM O=C(c1nc[nH]n1)N1CC[C@]2(C1)CCCN(c1ncccc1-c1nn[n-]n1)C2 ZINC001571166328 952761204 /nfs/dbraw/zinc/76/12/04/952761204.db2.gz LMWLXACFZLOZQZ-QGZVFWFLSA-N -1 3 380.416 0.513 20 0 GCADHM Cc1ncc(C(=O)N[C@@]23CCC[C@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)[nH]1 ZINC001571166490 952761524 /nfs/dbraw/zinc/76/15/24/952761524.db2.gz SRPJFVAUAFMHAU-CXAGYDPISA-N -1 3 380.416 0.620 20 0 GCADHM Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ncccc2-c2nnn[n-]2)c1N ZINC001571166652 952763998 /nfs/dbraw/zinc/76/39/98/952763998.db2.gz UKWYKYSHEQMXLG-PHIMTYICSA-N -1 3 380.416 0.071 20 0 GCADHM Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ncccc2-c2nn[n-]n2)c1N ZINC001571166652 952764002 /nfs/dbraw/zinc/76/40/02/952764002.db2.gz UKWYKYSHEQMXLG-PHIMTYICSA-N -1 3 380.416 0.071 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571169954 952780905 /nfs/dbraw/zinc/78/09/05/952780905.db2.gz AJQOJFJTVNKHIS-JHJVBQTASA-N -1 3 381.396 0.922 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571169954 952780908 /nfs/dbraw/zinc/78/09/08/952780908.db2.gz AJQOJFJTVNKHIS-JHJVBQTASA-N -1 3 381.396 0.922 20 0 GCADHM COc1ccccc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571170230 952784979 /nfs/dbraw/zinc/78/49/79/952784979.db2.gz GMMWMSZRDSQXLO-LBPRGKRZSA-N -1 3 381.396 0.848 20 0 GCADHM COc1ccccc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571170230 952784982 /nfs/dbraw/zinc/78/49/82/952784982.db2.gz GMMWMSZRDSQXLO-LBPRGKRZSA-N -1 3 381.396 0.848 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)c1ccc(F)cc1 ZINC001571170393 952786048 /nfs/dbraw/zinc/78/60/48/952786048.db2.gz IQPJAUMTFBFUGA-NHAGDIPZSA-N -1 3 381.371 0.834 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)c1ccc(F)cc1 ZINC001571170393 952786051 /nfs/dbraw/zinc/78/60/51/952786051.db2.gz IQPJAUMTFBFUGA-NHAGDIPZSA-N -1 3 381.371 0.834 20 0 GCADHM O=C(NC1CN(C[C@@H]2COc3ccccc3O2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571170797 952788331 /nfs/dbraw/zinc/78/83/31/952788331.db2.gz LPYMNOVGNTXYLK-CYBMUJFWSA-N -1 3 381.396 0.449 20 0 GCADHM O=C(NC1CN(C[C@@H]2COc3ccccc3O2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571170797 952788336 /nfs/dbraw/zinc/78/83/36/952788336.db2.gz LPYMNOVGNTXYLK-CYBMUJFWSA-N -1 3 381.396 0.449 20 0 GCADHM CN(C(=O)c1cnc[nH]c1=O)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571170733 952788683 /nfs/dbraw/zinc/78/86/83/952788683.db2.gz LCYPMPMKXGFIPY-UHFFFAOYSA-N -1 3 381.400 0.498 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571171136 952791627 /nfs/dbraw/zinc/79/16/27/952791627.db2.gz PVNIRZCGUURSNF-PWSUYJOCSA-N -1 3 381.400 0.720 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571171136 952791629 /nfs/dbraw/zinc/79/16/29/952791629.db2.gz PVNIRZCGUURSNF-PWSUYJOCSA-N -1 3 381.400 0.720 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ccncn1 ZINC001571171322 952792383 /nfs/dbraw/zinc/79/23/83/952792383.db2.gz QWLUOUWNOKXYAX-GHMZBOCLSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ccncn1 ZINC001571171322 952792384 /nfs/dbraw/zinc/79/23/84/952792384.db2.gz QWLUOUWNOKXYAX-GHMZBOCLSA-N -1 3 381.400 0.408 20 0 GCADHM CCOc1cnc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571171373 952792402 /nfs/dbraw/zinc/79/24/02/952792402.db2.gz ROUODMMSLMHWQT-LLVKDONJSA-N -1 3 381.400 0.459 20 0 GCADHM CCOc1cnc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571171373 952792407 /nfs/dbraw/zinc/79/24/07/952792407.db2.gz ROUODMMSLMHWQT-LLVKDONJSA-N -1 3 381.400 0.459 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571171398 952792509 /nfs/dbraw/zinc/79/25/09/952792509.db2.gz SIXOJXAUVKCXGW-GXSJLCMTSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571171398 952792515 /nfs/dbraw/zinc/79/25/15/952792515.db2.gz SIXOJXAUVKCXGW-GXSJLCMTSA-N -1 3 381.400 0.404 20 0 GCADHM CCCNC(=O)[C@H](C)NS(=O)(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001571171876 952798553 /nfs/dbraw/zinc/79/85/53/952798553.db2.gz HIWIATYXUFYACN-LBPRGKRZSA-N -1 3 380.474 0.818 20 0 GCADHM CCCNC(=O)[C@H](C)NS(=O)(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001571171876 952798557 /nfs/dbraw/zinc/79/85/57/952798557.db2.gz HIWIATYXUFYACN-LBPRGKRZSA-N -1 3 380.474 0.818 20 0 GCADHM COc1nccc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571174702 952812503 /nfs/dbraw/zinc/81/25/03/952812503.db2.gz FRIYPAXFCVEKFL-LBPRGKRZSA-N -1 3 381.400 0.411 20 0 GCADHM COc1nccc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571174702 952812509 /nfs/dbraw/zinc/81/25/09/952812509.db2.gz FRIYPAXFCVEKFL-LBPRGKRZSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571174682 952813248 /nfs/dbraw/zinc/81/32/48/952813248.db2.gz FCAVGYAWUPYYJR-YMTOWFKASA-N -1 3 381.400 0.261 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571174682 952813255 /nfs/dbraw/zinc/81/32/55/952813255.db2.gz FCAVGYAWUPYYJR-YMTOWFKASA-N -1 3 381.400 0.261 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc(C)n1 ZINC001571174864 952815914 /nfs/dbraw/zinc/81/59/14/952815914.db2.gz KWMWFHGJQPKNMY-LBPRGKRZSA-N -1 3 381.400 0.246 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc(C)n1 ZINC001571174864 952815917 /nfs/dbraw/zinc/81/59/17/952815917.db2.gz KWMWFHGJQPKNMY-LBPRGKRZSA-N -1 3 381.400 0.246 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cccnn1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571175103 952817685 /nfs/dbraw/zinc/81/76/85/952817685.db2.gz PKPRJWDOGXIHTD-GFCCVEGCSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cccnn1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571175103 952817691 /nfs/dbraw/zinc/81/76/91/952817691.db2.gz PKPRJWDOGXIHTD-GFCCVEGCSA-N -1 3 381.400 0.362 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001571175119 952818009 /nfs/dbraw/zinc/81/80/09/952818009.db2.gz PURKUMFRMZMQPV-UHFFFAOYSA-N -1 3 381.400 0.086 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001571175119 952818013 /nfs/dbraw/zinc/81/80/13/952818013.db2.gz PURKUMFRMZMQPV-UHFFFAOYSA-N -1 3 381.400 0.086 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571175259 952818995 /nfs/dbraw/zinc/81/89/95/952818995.db2.gz REYNYFGGMWAZTG-KRWDZBQOSA-N -1 3 381.400 0.465 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571175259 952819000 /nfs/dbraw/zinc/81/90/00/952819000.db2.gz REYNYFGGMWAZTG-KRWDZBQOSA-N -1 3 381.400 0.465 20 0 GCADHM O=C(NCC1N=NC(=O)N1C1CC1)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001571175274 952819263 /nfs/dbraw/zinc/81/92/63/952819263.db2.gz AEKHFHDNDFENRC-GFCCVEGCSA-N -1 3 381.400 0.465 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)ncn1 ZINC001571175589 952821817 /nfs/dbraw/zinc/82/18/17/952821817.db2.gz WDXGLHPPWFPRQA-KLPPZKSPSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)ncn1 ZINC001571175589 952821825 /nfs/dbraw/zinc/82/18/25/952821825.db2.gz WDXGLHPPWFPRQA-KLPPZKSPSA-N -1 3 381.400 0.232 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571175576 952821844 /nfs/dbraw/zinc/82/18/44/952821844.db2.gz VLYYPTXVTKZFLO-ZWNOBZJWSA-N -1 3 381.400 0.423 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571175576 952821851 /nfs/dbraw/zinc/82/18/51/952821851.db2.gz VLYYPTXVTKZFLO-ZWNOBZJWSA-N -1 3 381.400 0.423 20 0 GCADHM O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1)c1cnc[nH]c1=O ZINC001571175448 952822705 /nfs/dbraw/zinc/82/27/05/952822705.db2.gz DCNXKXFCUBPASJ-MFKMUULPSA-N -1 3 381.400 0.768 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[nH]n1 ZINC001571175598 952823571 /nfs/dbraw/zinc/82/35/71/952823571.db2.gz WOWQRWNKIFDMBG-GYSYKLTISA-N -1 3 381.400 0.402 20 0 GCADHM COc1cc(C(=O)N(C)[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)ncn1 ZINC001571175618 952823816 /nfs/dbraw/zinc/82/38/16/952823816.db2.gz XGRCWBRZIGOOMC-NSHDSACASA-N -1 3 381.400 0.411 20 0 GCADHM COc1cc(C(=O)N(C)[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)ncn1 ZINC001571175618 952823820 /nfs/dbraw/zinc/82/38/20/952823820.db2.gz XGRCWBRZIGOOMC-NSHDSACASA-N -1 3 381.400 0.411 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnnc1 ZINC001571175709 952824953 /nfs/dbraw/zinc/82/49/53/952824953.db2.gz FQUPIPQPXUNTIT-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnnc1 ZINC001571175709 952824957 /nfs/dbraw/zinc/82/49/57/952824957.db2.gz FQUPIPQPXUNTIT-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)n1 ZINC001571175693 952825490 /nfs/dbraw/zinc/82/54/90/952825490.db2.gz FJBOZCPKNXWQAW-GHMZBOCLSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)n1 ZINC001571175693 952825493 /nfs/dbraw/zinc/82/54/93/952825493.db2.gz FJBOZCPKNXWQAW-GHMZBOCLSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nc(NC[C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)ccc1-c1nnn[n-]1 ZINC001571175936 952826650 /nfs/dbraw/zinc/82/66/50/952826650.db2.gz IUGUGPQNSXHMRC-LLVKDONJSA-N -1 3 381.400 0.640 20 0 GCADHM Cc1nc(NC[C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)ccc1-c1nn[n-]n1 ZINC001571175936 952826654 /nfs/dbraw/zinc/82/66/54/952826654.db2.gz IUGUGPQNSXHMRC-LLVKDONJSA-N -1 3 381.400 0.640 20 0 GCADHM COc1cnc(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)nc1 ZINC001571175771 952826895 /nfs/dbraw/zinc/82/68/95/952826895.db2.gz ZEPYGHQRGQAWNG-LLVKDONJSA-N -1 3 381.400 0.777 20 0 GCADHM COc1cnc(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)nc1 ZINC001571175771 952826901 /nfs/dbraw/zinc/82/69/01/952826901.db2.gz ZEPYGHQRGQAWNG-LLVKDONJSA-N -1 3 381.400 0.777 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C2)n1 ZINC001571175759 952827094 /nfs/dbraw/zinc/82/70/94/952827094.db2.gz YQNHDIJBFGMAMV-SNVBAGLBSA-N -1 3 381.400 0.006 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)c3ccc(C(N)=O)[nH]3)C2)n1 ZINC001571175759 952827098 /nfs/dbraw/zinc/82/70/98/952827098.db2.gz YQNHDIJBFGMAMV-SNVBAGLBSA-N -1 3 381.400 0.006 20 0 GCADHM Cc1ccnc(C(=O)NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001571176102 952828161 /nfs/dbraw/zinc/82/81/61/952828161.db2.gz KYWMYHFFTOPVQI-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1ccnc(C(=O)NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001571176102 952828167 /nfs/dbraw/zinc/82/81/67/952828167.db2.gz KYWMYHFFTOPVQI-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571176133 952829083 /nfs/dbraw/zinc/82/90/83/952829083.db2.gz MFFTXVFWKRSCIZ-LLVKDONJSA-N -1 3 381.400 0.185 20 0 GCADHM Cc1ncncc1C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571176133 952829088 /nfs/dbraw/zinc/82/90/88/952829088.db2.gz MFFTXVFWKRSCIZ-LLVKDONJSA-N -1 3 381.400 0.185 20 0 GCADHM Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571176134 952829144 /nfs/dbraw/zinc/82/91/44/952829144.db2.gz MFFTXVFWKRSCIZ-NSHDSACASA-N -1 3 381.400 0.185 20 0 GCADHM Cc1ncncc1C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571176134 952829145 /nfs/dbraw/zinc/82/91/45/952829145.db2.gz MFFTXVFWKRSCIZ-NSHDSACASA-N -1 3 381.400 0.185 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)n1 ZINC001571176121 952829828 /nfs/dbraw/zinc/82/98/28/952829828.db2.gz LUWXWRLGWJMDAJ-XYPYZODXSA-N -1 3 381.400 0.292 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)n1 ZINC001571176121 952829834 /nfs/dbraw/zinc/82/98/34/952829834.db2.gz LUWXWRLGWJMDAJ-XYPYZODXSA-N -1 3 381.400 0.292 20 0 GCADHM O=C(NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1)c1cccnn1 ZINC001571176324 952830789 /nfs/dbraw/zinc/83/07/89/952830789.db2.gz PKYDEDVNZIJPJS-LBPRGKRZSA-N -1 3 381.400 0.077 20 0 GCADHM O=C(NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1)c1cccnn1 ZINC001571176324 952830794 /nfs/dbraw/zinc/83/07/94/952830794.db2.gz PKYDEDVNZIJPJS-LBPRGKRZSA-N -1 3 381.400 0.077 20 0 GCADHM Cc1ccnc(C(=O)N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001571176476 952832492 /nfs/dbraw/zinc/83/24/92/952832492.db2.gz RHNXRBQRFQFWSC-UHFFFAOYSA-N -1 3 381.400 0.282 20 0 GCADHM Cc1ccnc(C(=O)N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001571176476 952832499 /nfs/dbraw/zinc/83/24/99/952832499.db2.gz RHNXRBQRFQFWSC-UHFFFAOYSA-N -1 3 381.400 0.282 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]3C2)o1 ZINC001571176489 952832512 /nfs/dbraw/zinc/83/25/12/952832512.db2.gz RTPVDQUGQXTQOK-BETUJISGSA-N -1 3 381.400 0.090 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)o1 ZINC001571176489 952832516 /nfs/dbraw/zinc/83/25/16/952832516.db2.gz RTPVDQUGQXTQOK-BETUJISGSA-N -1 3 381.400 0.090 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)c1cnn2c1OCCC2 ZINC001571176467 952832586 /nfs/dbraw/zinc/83/25/86/952832586.db2.gz RDZXUOKLMMWHCX-TXEJJXNPSA-N -1 3 381.400 0.614 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)c1cnn2c1OCCC2 ZINC001571176467 952832589 /nfs/dbraw/zinc/83/25/89/952832589.db2.gz RDZXUOKLMMWHCX-TXEJJXNPSA-N -1 3 381.400 0.614 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cc(C2CC2)n[nH]1 ZINC001571176586 952833798 /nfs/dbraw/zinc/83/37/98/952833798.db2.gz VIHWUWXZJJTUOY-JTQLQIEISA-N -1 3 381.400 0.440 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cc(C2CC2)n[nH]1 ZINC001571176586 952833801 /nfs/dbraw/zinc/83/38/01/952833801.db2.gz VIHWUWXZJJTUOY-JTQLQIEISA-N -1 3 381.400 0.440 20 0 GCADHM Cc1nonc1C(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571176548 952833818 /nfs/dbraw/zinc/83/38/18/952833818.db2.gz UPQAFIGZWMGJDX-CHWSQXEVSA-N -1 3 381.400 0.694 20 0 GCADHM Cc1nonc1C(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571176548 952833823 /nfs/dbraw/zinc/83/38/23/952833823.db2.gz UPQAFIGZWMGJDX-CHWSQXEVSA-N -1 3 381.400 0.694 20 0 GCADHM Cc1nonc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571176660 952834906 /nfs/dbraw/zinc/83/49/06/952834906.db2.gz WZVPQDYADDICFS-DRZSPHRISA-N -1 3 381.400 0.740 20 0 GCADHM Cc1nonc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571176660 952834910 /nfs/dbraw/zinc/83/49/10/952834910.db2.gz WZVPQDYADDICFS-DRZSPHRISA-N -1 3 381.400 0.740 20 0 GCADHM O=C(c1cnon1)N1CCC2(C1)CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571178485 952841926 /nfs/dbraw/zinc/84/19/26/952841926.db2.gz KFANYYIKVHUCRS-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM O=C(c1cnon1)N1CCC2(C1)CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571178485 952841933 /nfs/dbraw/zinc/84/19/33/952841933.db2.gz KFANYYIKVHUCRS-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM O=C(c1cnn2c1OCCC2)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571178902 952849901 /nfs/dbraw/zinc/84/99/01/952849901.db2.gz XITCPBXKDLSJQZ-GFCCVEGCSA-N -1 3 381.400 0.567 20 0 GCADHM O=C(c1cnn2c1OCCC2)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571178902 952849912 /nfs/dbraw/zinc/84/99/12/952849912.db2.gz XITCPBXKDLSJQZ-GFCCVEGCSA-N -1 3 381.400 0.567 20 0 GCADHM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571180940 952861723 /nfs/dbraw/zinc/86/17/23/952861723.db2.gz RPBUUARLNQGJSC-BCEUIYSSSA-N -1 3 381.440 0.914 20 0 GCADHM O=C([C@H]1[C@@H]2CCC[C@@H]21)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571180940 952861728 /nfs/dbraw/zinc/86/17/28/952861728.db2.gz RPBUUARLNQGJSC-BCEUIYSSSA-N -1 3 381.440 0.914 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1)C1CC1 ZINC001571181029 952863395 /nfs/dbraw/zinc/86/33/95/952863395.db2.gz UBIHUFQKPDGOMV-HNNXBMFYSA-N -1 3 381.440 0.178 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1)C1CC1 ZINC001571181029 952863400 /nfs/dbraw/zinc/86/34/00/952863400.db2.gz UBIHUFQKPDGOMV-HNNXBMFYSA-N -1 3 381.440 0.178 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C[C@H](O)Cc2ccccc2)CC1 ZINC001571181009 952863562 /nfs/dbraw/zinc/86/35/62/952863562.db2.gz SWZNGRYUGIEGAP-MRXNPFEDSA-N -1 3 381.440 0.556 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C[C@H](O)Cc2ccccc2)CC1 ZINC001571181009 952863567 /nfs/dbraw/zinc/86/35/67/952863567.db2.gz SWZNGRYUGIEGAP-MRXNPFEDSA-N -1 3 381.440 0.556 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571181435 952864552 /nfs/dbraw/zinc/86/45/52/952864552.db2.gz XFGUHXFRXMYVKE-BQHCWPDZSA-N -1 3 381.440 0.581 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571181435 952864557 /nfs/dbraw/zinc/86/45/57/952864557.db2.gz XFGUHXFRXMYVKE-BQHCWPDZSA-N -1 3 381.440 0.581 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571181871 952865610 /nfs/dbraw/zinc/86/56/10/952865610.db2.gz ZCPFYTISRLETGK-WNZRACMBSA-N -1 3 381.440 0.818 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001571181871 952865615 /nfs/dbraw/zinc/86/56/15/952865615.db2.gz ZCPFYTISRLETGK-WNZRACMBSA-N -1 3 381.440 0.818 20 0 GCADHM C[C@H](c1ccccc1)[C@@H](O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571183029 952872138 /nfs/dbraw/zinc/87/21/38/952872138.db2.gz MGIDZEBHVINRCY-PXAZEXFGSA-N -1 3 381.440 0.773 20 0 GCADHM C[C@H](c1ccccc1)[C@@H](O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571183029 952872142 /nfs/dbraw/zinc/87/21/42/952872142.db2.gz MGIDZEBHVINRCY-PXAZEXFGSA-N -1 3 381.440 0.773 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CC[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001571183962 952885408 /nfs/dbraw/zinc/88/54/08/952885408.db2.gz NMHFLOPGCBTOLF-OAHLLOKOSA-N -1 3 381.444 0.949 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CC[C@H]1NC(=O)Cc1cc[nH]n1 ZINC001571183962 952885413 /nfs/dbraw/zinc/88/54/13/952885413.db2.gz NMHFLOPGCBTOLF-OAHLLOKOSA-N -1 3 381.444 0.949 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571184177 952889041 /nfs/dbraw/zinc/88/90/41/952889041.db2.gz SOVHFJDDAFAHRX-TZMCWYRMSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571184177 952889049 /nfs/dbraw/zinc/88/90/49/952889049.db2.gz SOVHFJDDAFAHRX-TZMCWYRMSA-N -1 3 381.444 0.887 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001571186130 952905837 /nfs/dbraw/zinc/90/58/37/952905837.db2.gz TUNPWAQNDJOIPP-HNNXBMFYSA-N -1 3 381.444 0.665 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)CCc2cncn2C)C1 ZINC001571186130 952905840 /nfs/dbraw/zinc/90/58/40/952905840.db2.gz TUNPWAQNDJOIPP-HNNXBMFYSA-N -1 3 381.444 0.665 20 0 GCADHM Cc1c(C(=O)N(C)[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)cnn1C ZINC001571188179 952912615 /nfs/dbraw/zinc/91/26/15/952912615.db2.gz HKSHDSJEKNWUKE-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1c(C(=O)N(C)[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)cnn1C ZINC001571188179 952912619 /nfs/dbraw/zinc/91/26/19/952912619.db2.gz HKSHDSJEKNWUKE-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571188342 952913154 /nfs/dbraw/zinc/91/31/54/952913154.db2.gz IYIKMIHVJOUZRU-DZGCQCFKSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)[C@H]2C)c1 ZINC001571188342 952913161 /nfs/dbraw/zinc/91/31/61/952913161.db2.gz IYIKMIHVJOUZRU-DZGCQCFKSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nc(N2CCC(CNC(=O)c3ccn(C)n3)CC2)ccc1-c1nnn[n-]1 ZINC001571188454 952914589 /nfs/dbraw/zinc/91/45/89/952914589.db2.gz AXLDKGZLWCCAMW-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1nc(N2CCC(CNC(=O)c3ccn(C)n3)CC2)ccc1-c1nn[n-]n1 ZINC001571188454 952914592 /nfs/dbraw/zinc/91/45/92/952914592.db2.gz AXLDKGZLWCCAMW-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cn1cc(CC(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C(C)(C)C2)cn1 ZINC001571188419 952914750 /nfs/dbraw/zinc/91/47/50/952914750.db2.gz ALYHRRPRYCVQGR-OAHLLOKOSA-N -1 3 381.444 0.887 20 0 GCADHM Cn1cc(CC(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C(C)(C)C2)cn1 ZINC001571188419 952914753 /nfs/dbraw/zinc/91/47/53/952914753.db2.gz ALYHRRPRYCVQGR-OAHLLOKOSA-N -1 3 381.444 0.887 20 0 GCADHM Cn1cc(CC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C(C)(C)C2)cn1 ZINC001571188416 952914846 /nfs/dbraw/zinc/91/48/46/952914846.db2.gz ALYHRRPRYCVQGR-HNNXBMFYSA-N -1 3 381.444 0.887 20 0 GCADHM Cn1cc(CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C(C)(C)C2)cn1 ZINC001571188416 952914854 /nfs/dbraw/zinc/91/48/54/952914854.db2.gz ALYHRRPRYCVQGR-HNNXBMFYSA-N -1 3 381.444 0.887 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CC[C@@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001571188448 952914962 /nfs/dbraw/zinc/91/49/62/952914962.db2.gz AUCYVPMZJQWFBO-OCCSQVGLSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CC[C@@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001571188448 952914964 /nfs/dbraw/zinc/91/49/64/952914964.db2.gz AUCYVPMZJQWFBO-OCCSQVGLSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cncn1CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571188529 952916081 /nfs/dbraw/zinc/91/60/81/952916081.db2.gz KWJPXDCTSUCNEP-OAHLLOKOSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)[C@H](C)c3cnn(C)c3)C2)n1 ZINC001571188887 952922042 /nfs/dbraw/zinc/92/20/42/952922042.db2.gz OVHQSYOHOFYHKV-TZMCWYRMSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)[C@H](C)c3cnn(C)c3)C2)n1 ZINC001571188887 952922046 /nfs/dbraw/zinc/92/20/46/952922046.db2.gz OVHQSYOHOFYHKV-TZMCWYRMSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)Cn3cccn3)C(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001571188951 952922645 /nfs/dbraw/zinc/92/26/45/952922645.db2.gz KPWNEVHCFJQMFT-CQSZACIVSA-N -1 3 381.444 0.798 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)Cn3cccn3)C(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001571188951 952922646 /nfs/dbraw/zinc/92/26/46/952922646.db2.gz KPWNEVHCFJQMFT-CQSZACIVSA-N -1 3 381.444 0.798 20 0 GCADHM Cc1ncc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)n1C ZINC001571188956 952922997 /nfs/dbraw/zinc/92/29/97/952922997.db2.gz KTSYPWXQVFCVJX-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1ncc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)n1C ZINC001571188956 952922999 /nfs/dbraw/zinc/92/29/99/952922999.db2.gz KTSYPWXQVFCVJX-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1nn(C)cc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571188955 952923072 /nfs/dbraw/zinc/92/30/72/952923072.db2.gz KSZVSKBTCHFDDA-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1nn(C)cc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571188955 952923076 /nfs/dbraw/zinc/92/30/76/952923076.db2.gz KSZVSKBTCHFDDA-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cn(C)nc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571189078 952924189 /nfs/dbraw/zinc/92/41/89/952924189.db2.gz RQRLGLOIPQYDIM-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cn(C)nc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571189078 952924194 /nfs/dbraw/zinc/92/41/94/952924194.db2.gz RQRLGLOIPQYDIM-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM COCC(=O)N1CCC(N(CCO)c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001571189134 952925452 /nfs/dbraw/zinc/92/54/52/952925452.db2.gz MVRHBRQXLNVPSC-UHFFFAOYSA-N -1 3 381.462 0.068 20 0 GCADHM Cc1nc(N2C[C@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001571189336 952927868 /nfs/dbraw/zinc/92/78/68/952927868.db2.gz PVYKRHOHDWWOON-ZDUSSCGKSA-N -1 3 381.444 0.867 20 0 GCADHM Cc1nc(N2C[C@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001571189336 952927871 /nfs/dbraw/zinc/92/78/71/952927871.db2.gz PVYKRHOHDWWOON-ZDUSSCGKSA-N -1 3 381.444 0.867 20 0 GCADHM CO[C@H](C)C(=O)N1CCC(O)(CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001571189385 952929703 /nfs/dbraw/zinc/92/97/03/952929703.db2.gz QQJPHRZXNJPIRI-SNVBAGLBSA-N -1 3 381.462 0.432 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)[C@H](C)c3cnn(C)c3)C2)ccc1-c1nnn[n-]1 ZINC001571189745 952935399 /nfs/dbraw/zinc/93/53/99/952935399.db2.gz TWXVYYOPYBFIAG-RISCZKNCSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)[C@H](C)c3cnn(C)c3)C2)ccc1-c1nn[n-]n1 ZINC001571189745 952935406 /nfs/dbraw/zinc/93/54/06/952935406.db2.gz TWXVYYOPYBFIAG-RISCZKNCSA-N -1 3 381.444 0.802 20 0 GCADHM Cn1ccc(CC(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CC2(C)C)n1 ZINC001571189926 952938020 /nfs/dbraw/zinc/93/80/20/952938020.db2.gz ZJLKACTYLXOZSY-CQSZACIVSA-N -1 3 381.444 0.569 20 0 GCADHM Cn1ccc(CC(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CC2(C)C)n1 ZINC001571189926 952938024 /nfs/dbraw/zinc/93/80/24/952938024.db2.gz ZJLKACTYLXOZSY-CQSZACIVSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@H]1C[C@@H]1C(=O)N1CCN(C2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001571190450 952941858 /nfs/dbraw/zinc/94/18/58/952941858.db2.gz IPMBTKZDDXRNOH-KSSFIOAISA-N -1 3 381.484 0.851 20 0 GCADHM COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571193911 952954057 /nfs/dbraw/zinc/95/40/57/952954057.db2.gz AWFJMGKDYCAZJG-SNVBAGLBSA-N -1 3 382.384 0.380 20 0 GCADHM COc1cc(=O)[nH]cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571193911 952954059 /nfs/dbraw/zinc/95/40/59/952954059.db2.gz AWFJMGKDYCAZJG-SNVBAGLBSA-N -1 3 382.384 0.380 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571193901 952954264 /nfs/dbraw/zinc/95/42/64/952954264.db2.gz AOOBPXCMNSYOMH-MWLCHTKSSA-N -1 3 382.384 0.526 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571193901 952954270 /nfs/dbraw/zinc/95/42/70/952954270.db2.gz AOOBPXCMNSYOMH-MWLCHTKSSA-N -1 3 382.384 0.526 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571193934 952954544 /nfs/dbraw/zinc/95/45/44/952954544.db2.gz BHJRFRXNZRZMDY-GXSJLCMTSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571193934 952954549 /nfs/dbraw/zinc/95/45/49/952954549.db2.gz BHJRFRXNZRZMDY-GXSJLCMTSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571193903 952955036 /nfs/dbraw/zinc/95/50/36/952955036.db2.gz AOOBPXCMNSYOMH-ONGXEEELSA-N -1 3 382.384 0.526 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571193903 952955040 /nfs/dbraw/zinc/95/50/40/952955040.db2.gz AOOBPXCMNSYOMH-ONGXEEELSA-N -1 3 382.384 0.526 20 0 GCADHM Cc1nocc1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001571193991 952955610 /nfs/dbraw/zinc/95/56/10/952955610.db2.gz DERJGEAUPXBWGB-QMTHXVAHSA-N -1 3 382.384 0.478 20 0 GCADHM Cc1nocc1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571193991 952955613 /nfs/dbraw/zinc/95/56/13/952955613.db2.gz DERJGEAUPXBWGB-QMTHXVAHSA-N -1 3 382.384 0.478 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 ZINC001571194010 952955704 /nfs/dbraw/zinc/95/57/04/952955704.db2.gz DWMCJTCPPLLOAV-LLVKDONJSA-N -1 3 382.384 0.456 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 ZINC001571194010 952955708 /nfs/dbraw/zinc/95/57/08/952955708.db2.gz DWMCJTCPPLLOAV-LLVKDONJSA-N -1 3 382.384 0.456 20 0 GCADHM O=C(c1cnco1)N1CC2(C1)CCCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001571193966 952955802 /nfs/dbraw/zinc/95/58/02/952955802.db2.gz CEEUQVOQDXTJEM-UHFFFAOYSA-N -1 3 382.384 0.561 20 0 GCADHM O=C(c1cnco1)N1CC2(C1)CCCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571193966 952955807 /nfs/dbraw/zinc/95/58/07/952955807.db2.gz CEEUQVOQDXTJEM-UHFFFAOYSA-N -1 3 382.384 0.561 20 0 GCADHM COC(=O)c1ccc(CC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cn1 ZINC001571194334 952961240 /nfs/dbraw/zinc/96/12/40/952961240.db2.gz KNRKXNFINULFSE-UHFFFAOYSA-N -1 3 382.380 0.916 20 0 GCADHM COC(=O)c1ccc(CC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cn1 ZINC001571194334 952961245 /nfs/dbraw/zinc/96/12/45/952961245.db2.gz KNRKXNFINULFSE-UHFFFAOYSA-N -1 3 382.380 0.916 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194461 952963065 /nfs/dbraw/zinc/96/30/65/952963065.db2.gz NPHWZEDVCGJPMF-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194461 952963067 /nfs/dbraw/zinc/96/30/67/952963067.db2.gz NPHWZEDVCGJPMF-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1conc1C1CC1 ZINC001571194464 952963237 /nfs/dbraw/zinc/96/32/37/952963237.db2.gz NQRKKJOZHABGNO-NSHDSACASA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1conc1C1CC1 ZINC001571194464 952963239 /nfs/dbraw/zinc/96/32/39/952963239.db2.gz NQRKKJOZHABGNO-NSHDSACASA-N -1 3 382.384 0.705 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)c3c(C)nc[nH]c3=O)C2)n1 ZINC001571194592 952965838 /nfs/dbraw/zinc/96/58/38/952965838.db2.gz PQHYYLAEOSUGPF-JTQLQIEISA-N -1 3 382.388 0.096 20 0 GCADHM Cc1nc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)co1 ZINC001571194700 952967089 /nfs/dbraw/zinc/96/70/89/952967089.db2.gz RDMZSQOVHFEGOV-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1nc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)co1 ZINC001571194700 952967094 /nfs/dbraw/zinc/96/70/94/952967094.db2.gz RDMZSQOVHFEGOV-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)on1 ZINC001571194891 952969345 /nfs/dbraw/zinc/96/93/45/952969345.db2.gz VCMOYMVYDNQJCX-ZWNOBZJWSA-N -1 3 382.384 0.478 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)on1 ZINC001571194891 952969351 /nfs/dbraw/zinc/96/93/51/952969351.db2.gz VCMOYMVYDNQJCX-ZWNOBZJWSA-N -1 3 382.384 0.478 20 0 GCADHM CCc1oncc1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571194896 952969658 /nfs/dbraw/zinc/96/96/58/952969658.db2.gz VFQZNZSHXBXCCE-YABSGUDNSA-N -1 3 382.384 0.246 20 0 GCADHM CCc1oncc1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571194896 952969667 /nfs/dbraw/zinc/96/96/67/952969667.db2.gz VFQZNZSHXBXCCE-YABSGUDNSA-N -1 3 382.384 0.246 20 0 GCADHM COc1cccnc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571194824 952970021 /nfs/dbraw/zinc/97/00/21/952970021.db2.gz RWARDRZLLRJLHK-JTQLQIEISA-N -1 3 382.384 0.243 20 0 GCADHM COc1cccnc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571194824 952970026 /nfs/dbraw/zinc/97/00/26/952970026.db2.gz RWARDRZLLRJLHK-JTQLQIEISA-N -1 3 382.384 0.243 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ncoc2C2CC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571195074 952973293 /nfs/dbraw/zinc/97/32/93/952973293.db2.gz XRMWWJXPIGHVFI-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ncoc2C2CC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571195074 952973303 /nfs/dbraw/zinc/97/33/03/952973303.db2.gz XRMWWJXPIGHVFI-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM COc1ncc(NC(=O)NCC(=O)NCc2ccccc2)cc1-c1nnn[n-]1 ZINC001571195112 952974062 /nfs/dbraw/zinc/97/40/62/952974062.db2.gz ZDIBHYQFZJAIDM-UHFFFAOYSA-N -1 3 382.384 0.708 20 0 GCADHM Cn1nccc1C(=O)N1C[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2C1 ZINC001571196110 952980262 /nfs/dbraw/zinc/98/02/62/952980262.db2.gz HLZCOROISXHDHM-TXEJJXNPSA-N -1 3 382.403 0.948 20 0 GCADHM Cn1nccc1C(=O)N1C[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2C1 ZINC001571196110 952980265 /nfs/dbraw/zinc/98/02/65/952980265.db2.gz HLZCOROISXHDHM-TXEJJXNPSA-N -1 3 382.403 0.948 20 0 GCADHM COc1ccc(CN2CCC[C@@H](NC(=O)c3ncc[nH]3)C2)cc1-c1nnn[n-]1 ZINC001571198880 952993344 /nfs/dbraw/zinc/99/33/44/952993344.db2.gz HSCIFZOIMWAIOC-CYBMUJFWSA-N -1 3 382.428 0.993 20 0 GCADHM CCn1ccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1C ZINC001571198916 952994709 /nfs/dbraw/zinc/99/47/09/952994709.db2.gz IDICFAXNPKBAJI-ZDUSSCGKSA-N -1 3 382.428 0.969 20 0 GCADHM CCn1ccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1C ZINC001571198916 952994714 /nfs/dbraw/zinc/99/47/14/952994714.db2.gz IDICFAXNPKBAJI-ZDUSSCGKSA-N -1 3 382.428 0.969 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001571199045 952997015 /nfs/dbraw/zinc/99/70/15/952997015.db2.gz KNHIYVCGKWCDJQ-AWEZNQCLSA-N -1 3 382.428 0.613 20 0 GCADHM COc1ccc(CN2CC(N(C)C(=O)c3[nH]cnc3C)C2)cc1-c1nnn[n-]1 ZINC001571199208 952997233 /nfs/dbraw/zinc/99/72/33/952997233.db2.gz NILORHKLIPAWKJ-UHFFFAOYSA-N -1 3 382.428 0.863 20 0 GCADHM COc1ccc(CN2CC(N(C)C(=O)c3[nH]cnc3C)C2)cc1-c1nn[n-]n1 ZINC001571199208 952997238 /nfs/dbraw/zinc/99/72/38/952997238.db2.gz NILORHKLIPAWKJ-UHFFFAOYSA-N -1 3 382.428 0.863 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)ccn1C ZINC001571199418 952999811 /nfs/dbraw/zinc/99/98/11/952999811.db2.gz QEWRNXKXJPSGQQ-RISCZKNCSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)ccn1C ZINC001571199418 952999815 /nfs/dbraw/zinc/99/98/15/952999815.db2.gz QEWRNXKXJPSGQQ-RISCZKNCSA-N -1 3 382.428 0.875 20 0 GCADHM O=C([C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1)N1CCC[C@@H]2COC[C@@H]21 ZINC001571199976 953006762 /nfs/dbraw/zinc/00/67/62/953006762.db2.gz FXKMPOPKWUVVSG-YCPHGPKFSA-N -1 3 382.424 0.857 20 0 GCADHM O=C([C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1)N1CCC[C@@H]2COC[C@@H]21 ZINC001571199976 953006766 /nfs/dbraw/zinc/00/67/66/953006766.db2.gz FXKMPOPKWUVVSG-YCPHGPKFSA-N -1 3 382.424 0.857 20 0 GCADHM O=C([C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1)N1CCC[C@@H]2COC[C@@H]21 ZINC001571199975 953006818 /nfs/dbraw/zinc/00/68/18/953006818.db2.gz FXKMPOPKWUVVSG-FMKPAKJESA-N -1 3 382.424 0.857 20 0 GCADHM O=C([C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1)N1CCC[C@@H]2COC[C@@H]21 ZINC001571199975 953006821 /nfs/dbraw/zinc/00/68/21/953006821.db2.gz FXKMPOPKWUVVSG-FMKPAKJESA-N -1 3 382.424 0.857 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)n1C ZINC001571200114 953008057 /nfs/dbraw/zinc/00/80/57/953008057.db2.gz AWBOSCOVAKDXCL-DGCLKSJQSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)n1C ZINC001571200114 953008058 /nfs/dbraw/zinc/00/80/58/953008058.db2.gz AWBOSCOVAKDXCL-DGCLKSJQSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccncc1CN1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571201331 953016401 /nfs/dbraw/zinc/01/64/01/953016401.db2.gz KCXUAKDEMSUEPV-HNNXBMFYSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1ccncc1CN1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571201331 953016403 /nfs/dbraw/zinc/01/64/03/953016403.db2.gz KCXUAKDEMSUEPV-HNNXBMFYSA-N -1 3 382.428 0.529 20 0 GCADHM CCOC(=O)C1([S@](C)=O)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571201178 953016513 /nfs/dbraw/zinc/01/65/13/953016513.db2.gz OZXLMTBENIRBTP-SANMLTNESA-N -1 3 382.421 0.681 20 0 GCADHM CCOC(=O)C1([S@](C)=O)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571201178 953016517 /nfs/dbraw/zinc/01/65/17/953016517.db2.gz OZXLMTBENIRBTP-SANMLTNESA-N -1 3 382.421 0.681 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1C ZINC001571201718 953019937 /nfs/dbraw/zinc/01/99/37/953019937.db2.gz NLULHNRGMMYMME-ZDUSSCGKSA-N -1 3 382.428 0.828 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1C ZINC001571201718 953019940 /nfs/dbraw/zinc/01/99/40/953019940.db2.gz NLULHNRGMMYMME-ZDUSSCGKSA-N -1 3 382.428 0.828 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001571202132 953023294 /nfs/dbraw/zinc/02/32/94/953023294.db2.gz RDSLPIJVAJFLMT-HUUCEWRRSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001571202132 953023297 /nfs/dbraw/zinc/02/32/97/953023297.db2.gz RDSLPIJVAJFLMT-HUUCEWRRSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC001571202458 953026028 /nfs/dbraw/zinc/02/60/28/953026028.db2.gz XMTSDCYJNZDBFS-LSDHHAIUSA-N -1 3 382.428 0.464 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)n1C ZINC001571202788 953028894 /nfs/dbraw/zinc/02/88/94/953028894.db2.gz YSWIJPBLMQWDHI-CJNGLKHVSA-N -1 3 382.428 0.278 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)n1C ZINC001571202788 953028899 /nfs/dbraw/zinc/02/88/99/953028899.db2.gz YSWIJPBLMQWDHI-CJNGLKHVSA-N -1 3 382.428 0.278 20 0 GCADHM CCc1c[nH]c(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@H]2C)n1 ZINC001571204533 953029698 /nfs/dbraw/zinc/02/96/98/953029698.db2.gz AHKOLXMVERXXEZ-ZYHUDNBSSA-N -1 3 382.432 0.586 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571204574 953029867 /nfs/dbraw/zinc/02/98/67/953029867.db2.gz BGYQRAMTHFCWIA-AAEUAGOBSA-N -1 3 382.432 0.106 20 0 GCADHM CCc1c[nH]c(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001571204531 953030074 /nfs/dbraw/zinc/03/00/74/953030074.db2.gz AHKOLXMVERXXEZ-JQWIXIFHSA-N -1 3 382.432 0.586 20 0 GCADHM CCc1nc(N[C@@H]2CCN(C(=O)CCc3c[nH]cn3)C2)cc(-c2nnn[n-]2)n1 ZINC001571204528 953030582 /nfs/dbraw/zinc/03/05/82/953030582.db2.gz ADEQAZOBCMABHB-GFCCVEGCSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001571204828 953033011 /nfs/dbraw/zinc/03/30/11/953033011.db2.gz CEXAISOKTNVHBL-CHWSQXEVSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001571204828 953033014 /nfs/dbraw/zinc/03/30/14/953033014.db2.gz CEXAISOKTNVHBL-CHWSQXEVSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2cnn(C)c2N)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571204868 953033702 /nfs/dbraw/zinc/03/37/02/953033702.db2.gz DHZHHPDXWJNQIA-PWSUYJOCSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2cnn(C)c2N)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571204868 953033705 /nfs/dbraw/zinc/03/37/05/953033705.db2.gz DHZHHPDXWJNQIA-PWSUYJOCSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2cnn(C)c2N)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571204867 953034153 /nfs/dbraw/zinc/03/41/53/953034153.db2.gz DHZHHPDXWJNQIA-JQWIXIFHSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2cnn(C)c2N)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571204867 953034157 /nfs/dbraw/zinc/03/41/57/953034157.db2.gz DHZHHPDXWJNQIA-JQWIXIFHSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571205170 953035583 /nfs/dbraw/zinc/03/55/83/953035583.db2.gz GVFPCIBPLQPYPS-GXTWGEPZSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571205170 953035584 /nfs/dbraw/zinc/03/55/84/953035584.db2.gz GVFPCIBPLQPYPS-GXTWGEPZSA-N -1 3 382.432 0.450 20 0 GCADHM O=C(Cc1ccc[nH]1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571205348 953037020 /nfs/dbraw/zinc/03/70/20/953037020.db2.gz HPCRUVAZYXZLCS-UHFFFAOYSA-N -1 3 382.428 0.598 20 0 GCADHM O=C(Cc1ccc[nH]1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571205348 953037023 /nfs/dbraw/zinc/03/70/23/953037023.db2.gz HPCRUVAZYXZLCS-UHFFFAOYSA-N -1 3 382.428 0.598 20 0 GCADHM CCc1cc(C(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)[nH]n1 ZINC001571205476 953038762 /nfs/dbraw/zinc/03/87/62/953038762.db2.gz JOZXRQBYBPELQM-ZDUSSCGKSA-N -1 3 382.432 0.905 20 0 GCADHM CCCn1cc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571205589 953039277 /nfs/dbraw/zinc/03/92/77/953039277.db2.gz LJGYOHPULWOTMF-CYBMUJFWSA-N -1 3 382.432 0.614 20 0 GCADHM CCCn1cc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571205589 953039281 /nfs/dbraw/zinc/03/92/81/953039281.db2.gz LJGYOHPULWOTMF-CYBMUJFWSA-N -1 3 382.432 0.614 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571205631 953040596 /nfs/dbraw/zinc/04/05/96/953040596.db2.gz MBUXCBGQRNGKDQ-RISCZKNCSA-N -1 3 382.432 0.282 20 0 GCADHM CCc1nc[nH]c1C(=O)N(C)C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571205702 953040949 /nfs/dbraw/zinc/04/09/49/953040949.db2.gz NCZNJPQGDRZJKY-UHFFFAOYSA-N -1 3 382.432 0.683 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001571205738 953041353 /nfs/dbraw/zinc/04/13/53/953041353.db2.gz LEQVBRIMVCWJNS-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001571205738 953041357 /nfs/dbraw/zinc/04/13/57/953041357.db2.gz LEQVBRIMVCWJNS-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)Cc2cncn2C)C1 ZINC001571205768 953042704 /nfs/dbraw/zinc/04/27/04/953042704.db2.gz AOVRYGDOFSNPLI-GFCCVEGCSA-N -1 3 382.432 0.060 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCn1cncn1 ZINC001571205908 953043565 /nfs/dbraw/zinc/04/35/65/953043565.db2.gz NXWADIKSHVFPBF-TZMCWYRMSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCn1cncn1 ZINC001571205908 953043568 /nfs/dbraw/zinc/04/35/68/953043568.db2.gz NXWADIKSHVFPBF-TZMCWYRMSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCn1cncn1 ZINC001571205906 953043767 /nfs/dbraw/zinc/04/37/67/953043767.db2.gz NXWADIKSHVFPBF-JSGCOSHPSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCn1cncn1 ZINC001571205906 953043770 /nfs/dbraw/zinc/04/37/70/953043770.db2.gz NXWADIKSHVFPBF-JSGCOSHPSA-N -1 3 382.432 0.735 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571205900 953043906 /nfs/dbraw/zinc/04/39/06/953043906.db2.gz NWPWXCUZVRZEDS-NWDGAFQWSA-N -1 3 382.432 0.662 20 0 GCADHM CCn1nncc1C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571205849 953044106 /nfs/dbraw/zinc/04/41/06/953044106.db2.gz CBSRQCXJJHIIJG-VXGBXAGGSA-N -1 3 382.432 0.884 20 0 GCADHM CCn1nncc1C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571205849 953044109 /nfs/dbraw/zinc/04/41/09/953044109.db2.gz CBSRQCXJJHIIJG-VXGBXAGGSA-N -1 3 382.432 0.884 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2ccnn2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571205923 953045115 /nfs/dbraw/zinc/04/51/15/953045115.db2.gz OLIBDJSZYONBLB-OCCSQVGLSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2ccnn2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571205923 953045117 /nfs/dbraw/zinc/04/51/17/953045117.db2.gz OLIBDJSZYONBLB-OCCSQVGLSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001571206052 953046001 /nfs/dbraw/zinc/04/60/01/953046001.db2.gz RHQMQJUJPPYFRR-CHWSQXEVSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001571206052 953046004 /nfs/dbraw/zinc/04/60/04/953046004.db2.gz RHQMQJUJPPYFRR-CHWSQXEVSA-N -1 3 382.432 0.907 20 0 GCADHM CCc1nc(-c2nnn[n-]2)cc(N2CCC(N(C)C(=O)c3cc[nH]n3)CC2)n1 ZINC001571206319 953049802 /nfs/dbraw/zinc/04/98/02/953049802.db2.gz SZRBHWCVCOTFTQ-UHFFFAOYSA-N -1 3 382.432 0.683 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1c[nH]cn1 ZINC001571206336 953049827 /nfs/dbraw/zinc/04/98/27/953049827.db2.gz UCBSNWVCHOVZDE-NEPJUHHUSA-N -1 3 382.432 0.804 20 0 GCADHM Cc1[nH]nc(C(=O)NC[C@@H]2C[C@@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1C ZINC001571206680 953053583 /nfs/dbraw/zinc/05/35/83/953053583.db2.gz IXKVFQYEPBQRQU-HAQNSBGRSA-N -1 3 382.432 0.926 20 0 GCADHM Cc1[nH]nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)c1C ZINC001571206704 953053729 /nfs/dbraw/zinc/05/37/29/953053729.db2.gz JPYVQTUQSAABGH-BXKDBHETSA-N -1 3 382.432 0.784 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)C1CCN(C(=O)c2ncn(C)n2)CC1 ZINC001571206767 953054753 /nfs/dbraw/zinc/05/47/53/953054753.db2.gz XEJZBEPUMNDRAJ-NSHDSACASA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)C1CCN(C(=O)c2ncn(C)n2)CC1 ZINC001571206767 953054755 /nfs/dbraw/zinc/05/47/55/953054755.db2.gz XEJZBEPUMNDRAJ-NSHDSACASA-N -1 3 382.432 0.743 20 0 GCADHM CCn1ccc(C(=O)N2C[C@@H](CNc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)n1 ZINC001571206750 953054765 /nfs/dbraw/zinc/05/47/65/953054765.db2.gz KLXQJROKZFZHJX-VXGBXAGGSA-N -1 3 382.432 0.693 20 0 GCADHM CCn1ccc(C(=O)N2C[C@@H](CNc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)n1 ZINC001571206750 953054769 /nfs/dbraw/zinc/05/47/69/953054769.db2.gz KLXQJROKZFZHJX-VXGBXAGGSA-N -1 3 382.432 0.693 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571206720 953055228 /nfs/dbraw/zinc/05/52/28/953055228.db2.gz WUDFDYMVMLNKMQ-PWSUYJOCSA-N -1 3 382.432 0.953 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571206720 953055229 /nfs/dbraw/zinc/05/52/29/953055229.db2.gz WUDFDYMVMLNKMQ-PWSUYJOCSA-N -1 3 382.432 0.953 20 0 GCADHM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001571206866 953055946 /nfs/dbraw/zinc/05/59/46/953055946.db2.gz YJPHJGUUKGZBCE-RYUDHWBXSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001571206866 953055949 /nfs/dbraw/zinc/05/59/49/953055949.db2.gz YJPHJGUUKGZBCE-RYUDHWBXSA-N -1 3 382.432 0.662 20 0 GCADHM CCn1cc(C(=O)N(C)C2CCN(c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC001571207002 953058020 /nfs/dbraw/zinc/05/80/20/953058020.db2.gz ZHVMZZATCSFKPL-UHFFFAOYSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1cc(C(=O)N(C)C2CCN(c3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC001571207002 953058025 /nfs/dbraw/zinc/05/80/25/953058025.db2.gz ZHVMZZATCSFKPL-UHFFFAOYSA-N -1 3 382.432 0.614 20 0 GCADHM CCCn1cc(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001571207001 953058093 /nfs/dbraw/zinc/05/80/93/953058093.db2.gz ZFLCVMCYJUBIEP-TXEJJXNPSA-N -1 3 382.432 0.884 20 0 GCADHM CCCn1cc(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001571207001 953058098 /nfs/dbraw/zinc/05/80/98/953058098.db2.gz ZFLCVMCYJUBIEP-TXEJJXNPSA-N -1 3 382.432 0.884 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)CCn3ccnc3)C[C@@H]2C)n1 ZINC001571207100 953059238 /nfs/dbraw/zinc/05/92/38/953059238.db2.gz MXUPEUSFYYOPGK-SMDDNHRTSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)CCn3ccnc3)C[C@@H]2C)n1 ZINC001571207100 953059241 /nfs/dbraw/zinc/05/92/41/953059241.db2.gz MXUPEUSFYYOPGK-SMDDNHRTSA-N -1 3 382.432 0.511 20 0 GCADHM CCn1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)[C@@H](C)C2)nn1 ZINC001571207051 953059444 /nfs/dbraw/zinc/05/94/44/953059444.db2.gz MBTSSMSIYUTHTC-RYUDHWBXSA-N -1 3 382.432 0.660 20 0 GCADHM CCn1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)[C@@H](C)C2)nn1 ZINC001571207051 953059446 /nfs/dbraw/zinc/05/94/46/953059446.db2.gz MBTSSMSIYUTHTC-RYUDHWBXSA-N -1 3 382.432 0.660 20 0 GCADHM CCn1ncc(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001571207158 953060191 /nfs/dbraw/zinc/06/01/91/953060191.db2.gz NVTFXGXPANELBK-ZDUSSCGKSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1ncc(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001571207158 953060195 /nfs/dbraw/zinc/06/01/95/953060195.db2.gz NVTFXGXPANELBK-ZDUSSCGKSA-N -1 3 382.432 0.614 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571207303 953061707 /nfs/dbraw/zinc/06/17/07/953061707.db2.gz QESZLDKRBOUSIS-BXUZGUMPSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571207303 953061708 /nfs/dbraw/zinc/06/17/08/953061708.db2.gz QESZLDKRBOUSIS-BXUZGUMPSA-N -1 3 382.432 0.282 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571207447 953063764 /nfs/dbraw/zinc/06/37/64/953063764.db2.gz RSUVUVCDMSTMNY-RYUDHWBXSA-N -1 3 382.432 0.628 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571207447 953063767 /nfs/dbraw/zinc/06/37/67/953063767.db2.gz RSUVUVCDMSTMNY-RYUDHWBXSA-N -1 3 382.432 0.628 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571207446 953063792 /nfs/dbraw/zinc/06/37/92/953063792.db2.gz RSUVUVCDMSTMNY-NWDGAFQWSA-N -1 3 382.432 0.628 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571207446 953063795 /nfs/dbraw/zinc/06/37/95/953063795.db2.gz RSUVUVCDMSTMNY-NWDGAFQWSA-N -1 3 382.432 0.628 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)nnn1C ZINC001571207487 953063946 /nfs/dbraw/zinc/06/39/46/953063946.db2.gz UCSKERIGFLMMKB-ZYHUDNBSSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)nnn1C ZINC001571207487 953063948 /nfs/dbraw/zinc/06/39/48/953063948.db2.gz UCSKERIGFLMMKB-ZYHUDNBSSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]2C)n1 ZINC001571207551 953064323 /nfs/dbraw/zinc/06/43/23/953064323.db2.gz WHYVUUBCNDGGGY-AAEUAGOBSA-N -1 3 382.432 0.511 20 0 GCADHM CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)[C@@]1(O)CCCOC1 ZINC001571209833 953068229 /nfs/dbraw/zinc/06/82/29/953068229.db2.gz GEXBLIWZVVUNAB-OAHLLOKOSA-N -1 3 382.446 0.108 20 0 GCADHM CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)[C@@]1(O)CCCOC1 ZINC001571209833 953068231 /nfs/dbraw/zinc/06/82/31/953068231.db2.gz GEXBLIWZVVUNAB-OAHLLOKOSA-N -1 3 382.446 0.108 20 0 GCADHM COC(C)(C)[C@H](C)NC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571209919 953068731 /nfs/dbraw/zinc/06/87/31/953068731.db2.gz IRGXRFSDHJPKQT-JTQLQIEISA-N -1 3 382.446 0.075 20 0 GCADHM COC(C)(C)[C@H](C)NC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571209919 953068736 /nfs/dbraw/zinc/06/87/36/953068736.db2.gz IRGXRFSDHJPKQT-JTQLQIEISA-N -1 3 382.446 0.075 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001571211463 953076093 /nfs/dbraw/zinc/07/60/93/953076093.db2.gz BEVVDFBHDPYIQE-NOZJJQNGSA-N -1 3 382.432 0.959 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571211636 953079613 /nfs/dbraw/zinc/07/96/13/953079613.db2.gz DFDHMJVECWJTER-YPMHNXCESA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571211636 953079617 /nfs/dbraw/zinc/07/96/17/953079617.db2.gz DFDHMJVECWJTER-YPMHNXCESA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2ccnc(-c3nnn[n-]3)n2)[nH]n1 ZINC001571211868 953081894 /nfs/dbraw/zinc/08/18/94/953081894.db2.gz HPDNPNLUJIIFRM-WCQYABFASA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2ccnc(-c3nnn[n-]3)n2)n[nH]1 ZINC001571211868 953081898 /nfs/dbraw/zinc/08/18/98/953081898.db2.gz HPDNPNLUJIIFRM-WCQYABFASA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571211868 953081902 /nfs/dbraw/zinc/08/19/02/953081902.db2.gz HPDNPNLUJIIFRM-WCQYABFASA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n[nH]1 ZINC001571211868 953081907 /nfs/dbraw/zinc/08/19/07/953081907.db2.gz HPDNPNLUJIIFRM-WCQYABFASA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211846 953081919 /nfs/dbraw/zinc/08/19/19/953081919.db2.gz HHJKDFHFXRYZMP-AAEUAGOBSA-N -1 3 382.432 0.368 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211846 953081925 /nfs/dbraw/zinc/08/19/25/953081925.db2.gz HHJKDFHFXRYZMP-AAEUAGOBSA-N -1 3 382.432 0.368 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)c2ncn(C)n2)ccc1-c1nnn[n-]1 ZINC001571212128 953084290 /nfs/dbraw/zinc/08/42/90/953084290.db2.gz JJWMMYPYWPAHOR-GFCCVEGCSA-N -1 3 382.432 0.805 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)c2ncn(C)n2)ccc1-c1nn[n-]n1 ZINC001571212128 953084294 /nfs/dbraw/zinc/08/42/94/953084294.db2.gz JJWMMYPYWPAHOR-GFCCVEGCSA-N -1 3 382.432 0.805 20 0 GCADHM Cn1cnnc1CN1CCC2(C[C@@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571212381 953087876 /nfs/dbraw/zinc/08/78/76/953087876.db2.gz NBXXJVQKOOXYMV-ZDUSSCGKSA-N -1 3 382.432 0.108 20 0 GCADHM Cn1cnnc1CN1CCC2(C[C@@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571212381 953087880 /nfs/dbraw/zinc/08/78/80/953087880.db2.gz NBXXJVQKOOXYMV-ZDUSSCGKSA-N -1 3 382.432 0.108 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@H](C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571212680 953089228 /nfs/dbraw/zinc/08/92/28/953089228.db2.gz OBLMGIOSOBHTPM-SNVBAGLBSA-N -1 3 382.432 0.723 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@H](C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571212680 953089231 /nfs/dbraw/zinc/08/92/31/953089231.db2.gz OBLMGIOSOBHTPM-SNVBAGLBSA-N -1 3 382.432 0.723 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCN2C(=O)CCn2ccnn2)n1 ZINC001571212674 953089665 /nfs/dbraw/zinc/08/96/65/953089665.db2.gz NZAFHFZMEMDYQJ-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCN2C(=O)CCn2ccnn2)n1 ZINC001571212674 953089673 /nfs/dbraw/zinc/08/96/73/953089673.db2.gz NZAFHFZMEMDYQJ-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)[C@H](C)C2)[nH]1 ZINC001571212771 953090297 /nfs/dbraw/zinc/09/02/97/953090297.db2.gz OYSDMOQEGRLGMV-ZWNOBZJWSA-N -1 3 382.432 0.580 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)[C@H](C)C2)[nH]1 ZINC001571212771 953090300 /nfs/dbraw/zinc/09/03/00/953090300.db2.gz OYSDMOQEGRLGMV-ZWNOBZJWSA-N -1 3 382.432 0.580 20 0 GCADHM Cn1cc(CCC(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001571213037 953092401 /nfs/dbraw/zinc/09/24/01/953092401.db2.gz PWDQFRQCYOIJDF-ZDUSSCGKSA-N -1 3 382.432 0.426 20 0 GCADHM Cn1cc(CCC(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001571213037 953092405 /nfs/dbraw/zinc/09/24/05/953092405.db2.gz PWDQFRQCYOIJDF-ZDUSSCGKSA-N -1 3 382.432 0.426 20 0 GCADHM Cc1nc(N(C)[C@@H]2CCN(C(=O)c3cnn(C)c3N)C2)ccc1-c1nnn[n-]1 ZINC001571213135 953092562 /nfs/dbraw/zinc/09/25/62/953092562.db2.gz RGSZBGITERWNPG-LLVKDONJSA-N -1 3 382.432 0.237 20 0 GCADHM Cc1nc(N(C)[C@@H]2CCN(C(=O)c3cnn(C)c3N)C2)ccc1-c1nn[n-]n1 ZINC001571213135 953092567 /nfs/dbraw/zinc/09/25/67/953092567.db2.gz RGSZBGITERWNPG-LLVKDONJSA-N -1 3 382.432 0.237 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)n1 ZINC001571213839 953097553 /nfs/dbraw/zinc/09/75/53/953097553.db2.gz XMSDKWCVEBPTCK-CHWSQXEVSA-N -1 3 382.432 0.826 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)n1 ZINC001571213839 953097558 /nfs/dbraw/zinc/09/75/58/953097558.db2.gz XMSDKWCVEBPTCK-CHWSQXEVSA-N -1 3 382.432 0.826 20 0 GCADHM Cn1cnnc1CN1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001571213837 953097856 /nfs/dbraw/zinc/09/78/56/953097856.db2.gz XMAXKYNFXAPVFY-UHFFFAOYSA-N -1 3 382.432 0.062 20 0 GCADHM Cn1cnnc1CN1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001571213837 953097862 /nfs/dbraw/zinc/09/78/62/953097862.db2.gz XMAXKYNFXAPVFY-UHFFFAOYSA-N -1 3 382.432 0.062 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCC[C@@H]2NC(=O)c2ncn(C)n2)n1 ZINC001571214106 953099872 /nfs/dbraw/zinc/09/98/72/953099872.db2.gz YFWPZTNZJOSWKT-YPMHNXCESA-N -1 3 382.432 0.709 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCC[C@@H]2NC(=O)c2ncn(C)n2)n1 ZINC001571214106 953099877 /nfs/dbraw/zinc/09/98/77/953099877.db2.gz YFWPZTNZJOSWKT-YPMHNXCESA-N -1 3 382.432 0.709 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001571214153 953100411 /nfs/dbraw/zinc/10/04/11/953100411.db2.gz YPYTZTDOPIOLRZ-DGCLKSJQSA-N -1 3 382.432 0.791 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001571214153 953100413 /nfs/dbraw/zinc/10/04/13/953100413.db2.gz YPYTZTDOPIOLRZ-DGCLKSJQSA-N -1 3 382.432 0.791 20 0 GCADHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1NC(=O)c1ccncn1 ZINC001571216722 953103609 /nfs/dbraw/zinc/10/36/09/953103609.db2.gz CTSNYCUXJBJYKU-ZDUSSCGKSA-N -1 3 383.391 0.836 20 0 GCADHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1NC(=O)c1ccncn1 ZINC001571216722 953103611 /nfs/dbraw/zinc/10/36/11/953103611.db2.gz CTSNYCUXJBJYKU-ZDUSSCGKSA-N -1 3 383.391 0.836 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1O)c1ccncc1F ZINC001571217110 953106039 /nfs/dbraw/zinc/10/60/39/953106039.db2.gz GYGVLFYEQQGZKL-HZPDHXFCSA-N -1 3 383.387 0.376 20 0 GCADHM O=C(Cc1ccccc1F)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571218524 953115964 /nfs/dbraw/zinc/11/59/64/953115964.db2.gz WOTRVULBLQKMQZ-HAQNSBGRSA-N -1 3 383.387 0.954 20 0 GCADHM O=C(Cc1ccccc1F)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571218524 953115968 /nfs/dbraw/zinc/11/59/68/953115968.db2.gz WOTRVULBLQKMQZ-HAQNSBGRSA-N -1 3 383.387 0.954 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H]2CN(c3cnc(F)cn3)C[C@H]21 ZINC001571218533 953116092 /nfs/dbraw/zinc/11/60/92/953116092.db2.gz AWDIVNBXDDSWRA-GXFFZTMASA-N -1 3 383.391 0.865 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H]2CN(c3cnc(F)cn3)C[C@H]21 ZINC001571218533 953116094 /nfs/dbraw/zinc/11/60/94/953116094.db2.gz AWDIVNBXDDSWRA-GXFFZTMASA-N -1 3 383.391 0.865 20 0 GCADHM COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cc1 ZINC001571218985 953121654 /nfs/dbraw/zinc/12/16/54/953121654.db2.gz ISFQYKNJDJGHRF-HZPDHXFCSA-N -1 3 383.412 0.179 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)CN1C1CC1 ZINC001571219134 953123433 /nfs/dbraw/zinc/12/34/33/953123433.db2.gz WDHDYODLBGJWHE-MRVPVSSYSA-N -1 3 382.833 0.562 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)CN1C1CC1 ZINC001571219134 953123435 /nfs/dbraw/zinc/12/34/35/953123435.db2.gz WDHDYODLBGJWHE-MRVPVSSYSA-N -1 3 382.833 0.562 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1ccncn1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571219158 953123650 /nfs/dbraw/zinc/12/36/50/953123650.db2.gz KSCPUVSSOONMJY-GFCCVEGCSA-N -1 3 383.391 0.932 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1ccncn1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571219158 953123652 /nfs/dbraw/zinc/12/36/52/953123652.db2.gz KSCPUVSSOONMJY-GFCCVEGCSA-N -1 3 383.391 0.932 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571219379 953125097 /nfs/dbraw/zinc/12/50/97/953125097.db2.gz YKRXTTMJKMMDKV-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571219379 953125104 /nfs/dbraw/zinc/12/51/04/953125104.db2.gz YKRXTTMJKMMDKV-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CS(=O)(=O)Nc1ccc(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)c(Cl)c1 ZINC001571219315 953125115 /nfs/dbraw/zinc/12/51/15/953125115.db2.gz XDNBOPNWTCOVOS-UHFFFAOYSA-N -1 3 382.793 0.867 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2)c1n[nH]cc1F ZINC001571219995 953128259 /nfs/dbraw/zinc/12/82/59/953128259.db2.gz WQCMPIOHBDEBKG-CYBMUJFWSA-N -1 3 383.391 0.913 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2)c1n[nH]cc1F ZINC001571219995 953128261 /nfs/dbraw/zinc/12/82/61/953128261.db2.gz WQCMPIOHBDEBKG-CYBMUJFWSA-N -1 3 383.391 0.913 20 0 GCADHM CCc1c(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cnn1C ZINC001571222056 953130377 /nfs/dbraw/zinc/13/03/77/953130377.db2.gz BAJWKLGEKQOZCZ-XYPYZODXSA-N -1 3 383.416 0.182 20 0 GCADHM CCc1c(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cnn1C ZINC001571222056 953130380 /nfs/dbraw/zinc/13/03/80/953130380.db2.gz BAJWKLGEKQOZCZ-XYPYZODXSA-N -1 3 383.416 0.182 20 0 GCADHM Cc1ncoc1C(=O)NC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001571222049 953130808 /nfs/dbraw/zinc/13/08/08/953130808.db2.gz ANCGRIWDTJMJRT-AWEZNQCLSA-N -1 3 383.412 0.794 20 0 GCADHM Cc1ncoc1C(=O)NC[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001571222049 953130810 /nfs/dbraw/zinc/13/08/10/953130810.db2.gz ANCGRIWDTJMJRT-AWEZNQCLSA-N -1 3 383.412 0.794 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001571222097 953130835 /nfs/dbraw/zinc/13/08/35/953130835.db2.gz CGKBRLJONWXQEV-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001571222097 953130837 /nfs/dbraw/zinc/13/08/37/953130837.db2.gz CGKBRLJONWXQEV-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222082 953130861 /nfs/dbraw/zinc/13/08/61/953130861.db2.gz BSRUEHPKXCZPLM-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222082 953130864 /nfs/dbraw/zinc/13/08/64/953130864.db2.gz BSRUEHPKXCZPLM-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222253 953132076 /nfs/dbraw/zinc/13/20/76/953132076.db2.gz BKLVWWOKCBUJPI-KOLCDFICSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222253 953132077 /nfs/dbraw/zinc/13/20/77/953132077.db2.gz BKLVWWOKCBUJPI-KOLCDFICSA-N -1 3 383.416 0.513 20 0 GCADHM CCn1ccnc1C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222229 953132426 /nfs/dbraw/zinc/13/24/26/953132426.db2.gz AQVNOVWYCGHMLM-UHFFFAOYSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1ccnc1C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222229 953132427 /nfs/dbraw/zinc/13/24/27/953132427.db2.gz AQVNOVWYCGHMLM-UHFFFAOYSA-N -1 3 383.416 0.444 20 0 GCADHM CCc1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)[nH]n1 ZINC001571222330 953132970 /nfs/dbraw/zinc/13/29/70/953132970.db2.gz GJIDKFRYPYGOTR-SKDRFNHKSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1cc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]n1 ZINC001571222330 953132979 /nfs/dbraw/zinc/13/29/79/953132979.db2.gz GJIDKFRYPYGOTR-SKDRFNHKSA-N -1 3 383.416 0.513 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001571222318 953133153 /nfs/dbraw/zinc/13/31/53/953133153.db2.gz GHZGNJRLHCYRJI-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001571222318 953133156 /nfs/dbraw/zinc/13/31/56/953133156.db2.gz GHZGNJRLHCYRJI-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222299 953133162 /nfs/dbraw/zinc/13/31/62/953133162.db2.gz GGESXVNMJDSINV-LLVKDONJSA-N -1 3 383.416 0.515 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222299 953133166 /nfs/dbraw/zinc/13/31/66/953133166.db2.gz GGESXVNMJDSINV-LLVKDONJSA-N -1 3 383.416 0.515 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001571222322 953133309 /nfs/dbraw/zinc/13/33/09/953133309.db2.gz GHZGNJRLHCYRJI-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001571222322 953133312 /nfs/dbraw/zinc/13/33/12/953133312.db2.gz GHZGNJRLHCYRJI-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222377 953133872 /nfs/dbraw/zinc/13/38/72/953133872.db2.gz HHDUFJZOMHQKMW-PWSUYJOCSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222377 953133877 /nfs/dbraw/zinc/13/38/77/953133877.db2.gz HHDUFJZOMHQKMW-PWSUYJOCSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1cc(CC(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001571222363 953134113 /nfs/dbraw/zinc/13/41/13/953134113.db2.gz FBXBRVNUDNONPY-JOCQHMNTSA-N -1 3 383.416 0.031 20 0 GCADHM CCn1cc(CC(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001571222363 953134117 /nfs/dbraw/zinc/13/41/17/953134117.db2.gz FBXBRVNUDNONPY-JOCQHMNTSA-N -1 3 383.416 0.031 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571222351 953134216 /nfs/dbraw/zinc/13/42/16/953134216.db2.gz DWZZVQNLIPYOFP-NSHDSACASA-N -1 3 383.416 0.542 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571222351 953134219 /nfs/dbraw/zinc/13/42/19/953134219.db2.gz DWZZVQNLIPYOFP-NSHDSACASA-N -1 3 383.416 0.542 20 0 GCADHM CN(C(=O)c1c[nH]c(=O)n1C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571222513 953135779 /nfs/dbraw/zinc/13/57/79/953135779.db2.gz HGXMVXRZADHTFN-UHFFFAOYSA-N -1 3 383.416 0.442 20 0 GCADHM CN(C(=O)c1c[nH]c(=O)n1C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571222513 953135782 /nfs/dbraw/zinc/13/57/82/953135782.db2.gz HGXMVXRZADHTFN-UHFFFAOYSA-N -1 3 383.416 0.442 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1c[nH]c(C)n1 ZINC001571222549 953135848 /nfs/dbraw/zinc/13/58/48/953135848.db2.gz ITAHBQXWKFVROZ-SMDDNHRTSA-N -1 3 383.416 0.649 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)Cn2cccn2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222829 953139476 /nfs/dbraw/zinc/13/94/76/953139476.db2.gz LQROBMURGPVOIZ-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)Cn2cccn2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222829 953139480 /nfs/dbraw/zinc/13/94/80/953139480.db2.gz LQROBMURGPVOIZ-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM CCn1cnc(C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571222952 953140380 /nfs/dbraw/zinc/14/03/80/953140380.db2.gz OEXFWSBSGSWCFX-LBPRGKRZSA-N -1 3 383.416 0.398 20 0 GCADHM CCn1cnc(C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571222952 953140385 /nfs/dbraw/zinc/14/03/85/953140385.db2.gz OEXFWSBSGSWCFX-LBPRGKRZSA-N -1 3 383.416 0.398 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001571223021 953140611 /nfs/dbraw/zinc/14/06/11/953140611.db2.gz PGWDEQDAFUVDNO-GHMZBOCLSA-N -1 3 383.416 0.203 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001571223021 953140615 /nfs/dbraw/zinc/14/06/15/953140615.db2.gz PGWDEQDAFUVDNO-GHMZBOCLSA-N -1 3 383.416 0.203 20 0 GCADHM COc1c(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(C)nn1C ZINC001571222962 953140682 /nfs/dbraw/zinc/14/06/82/953140682.db2.gz OHCGIWFKMJDBER-TXEJJXNPSA-N -1 3 383.416 0.685 20 0 GCADHM COc1c(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c(C)nn1C ZINC001571222962 953140686 /nfs/dbraw/zinc/14/06/86/953140686.db2.gz OHCGIWFKMJDBER-TXEJJXNPSA-N -1 3 383.416 0.685 20 0 GCADHM CCCc1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)[nH]n1 ZINC001571222914 953140845 /nfs/dbraw/zinc/14/08/45/953140845.db2.gz NKNQYYKRXSUNHS-NSHDSACASA-N -1 3 383.416 0.515 20 0 GCADHM COc1nccc(CN2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571223040 953141732 /nfs/dbraw/zinc/14/17/32/953141732.db2.gz PNCSAWDMCBFSIQ-LBPRGKRZSA-N -1 3 383.416 0.388 20 0 GCADHM COc1nccc(CN2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571223040 953141734 /nfs/dbraw/zinc/14/17/34/953141734.db2.gz PNCSAWDMCBFSIQ-LBPRGKRZSA-N -1 3 383.416 0.388 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)CN1c1ncccc1-c1nnn[n-]1 ZINC001571223186 953142423 /nfs/dbraw/zinc/14/24/23/953142423.db2.gz PHBLWCMAKDUDBJ-WDEREUQCSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)CN1c1ncccc1-c1nn[n-]n1 ZINC001571223186 953142424 /nfs/dbraw/zinc/14/24/24/953142424.db2.gz PHBLWCMAKDUDBJ-WDEREUQCSA-N -1 3 383.416 0.488 20 0 GCADHM COc1ccc(CN2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001571223264 953143026 /nfs/dbraw/zinc/14/30/26/953143026.db2.gz RYCPNOLJBJUJKK-SNVBAGLBSA-N -1 3 383.416 0.244 20 0 GCADHM COc1ccc(CN2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001571223264 953143027 /nfs/dbraw/zinc/14/30/27/953143027.db2.gz RYCPNOLJBJUJKK-SNVBAGLBSA-N -1 3 383.416 0.244 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223258 953143123 /nfs/dbraw/zinc/14/31/23/953143123.db2.gz RWRHOLIGARYTRY-CMPLNLGQSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223258 953143129 /nfs/dbraw/zinc/14/31/29/953143129.db2.gz RWRHOLIGARYTRY-CMPLNLGQSA-N -1 3 383.416 0.555 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cnn(C)c1 ZINC001571223246 953143548 /nfs/dbraw/zinc/14/35/48/953143548.db2.gz RLRNJDPDFRFQKR-ZDUSSCGKSA-N -1 3 383.416 0.305 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cnn(C)c1 ZINC001571223246 953143551 /nfs/dbraw/zinc/14/35/51/953143551.db2.gz RLRNJDPDFRFQKR-ZDUSSCGKSA-N -1 3 383.416 0.305 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)nn1 ZINC001571223522 953144996 /nfs/dbraw/zinc/14/49/96/953144996.db2.gz TWIPLETXUYFOGU-MFKMUULPSA-N -1 3 383.416 0.386 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)nn1 ZINC001571223522 953144998 /nfs/dbraw/zinc/14/49/98/953144998.db2.gz TWIPLETXUYFOGU-MFKMUULPSA-N -1 3 383.416 0.386 20 0 GCADHM COCc1cc(NCC2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ncn1 ZINC001571223524 953145391 /nfs/dbraw/zinc/14/53/91/953145391.db2.gz TZZUADAMRUWZQG-UHFFFAOYSA-N -1 3 383.416 0.752 20 0 GCADHM COCc1cc(NCC2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ncn1 ZINC001571223524 953145393 /nfs/dbraw/zinc/14/53/93/953145393.db2.gz TZZUADAMRUWZQG-UHFFFAOYSA-N -1 3 383.416 0.752 20 0 GCADHM COc1nn(C)cc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571223556 953145515 /nfs/dbraw/zinc/14/55/15/953145515.db2.gz VGBNVPZQUGKENP-GFCCVEGCSA-N -1 3 383.416 0.403 20 0 GCADHM COc1nn(C)cc1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571223556 953145517 /nfs/dbraw/zinc/14/55/17/953145517.db2.gz VGBNVPZQUGKENP-GFCCVEGCSA-N -1 3 383.416 0.403 20 0 GCADHM CCn1ccc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)n1 ZINC001571223589 953146211 /nfs/dbraw/zinc/14/62/11/953146211.db2.gz WRWIXZZPKKWHSR-GHMZBOCLSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1ccc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)n1 ZINC001571223589 953146216 /nfs/dbraw/zinc/14/62/16/953146216.db2.gz WRWIXZZPKKWHSR-GHMZBOCLSA-N -1 3 383.416 0.444 20 0 GCADHM Cc1c(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cnn1C ZINC001571223601 953146253 /nfs/dbraw/zinc/14/62/53/953146253.db2.gz WVJYLBQJOYCIIN-YMTOWFKASA-N -1 3 383.416 0.127 20 0 GCADHM Cc1c(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cnn1C ZINC001571223601 953146256 /nfs/dbraw/zinc/14/62/56/953146256.db2.gz WVJYLBQJOYCIIN-YMTOWFKASA-N -1 3 383.416 0.127 20 0 GCADHM O=C(Cc1ccco1)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571223711 953146373 /nfs/dbraw/zinc/14/63/73/953146373.db2.gz SYYBLXUPGYBNOC-GOSISDBHSA-N -1 3 383.412 0.863 20 0 GCADHM O=C(Cc1ccco1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571223711 953146377 /nfs/dbraw/zinc/14/63/77/953146377.db2.gz SYYBLXUPGYBNOC-GOSISDBHSA-N -1 3 383.412 0.863 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001571223769 953147076 /nfs/dbraw/zinc/14/70/76/953147076.db2.gz UXEJRPVASWVBCZ-GMXVVIOVSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001571223769 953147080 /nfs/dbraw/zinc/14/70/80/953147080.db2.gz UXEJRPVASWVBCZ-GMXVVIOVSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001571223804 953147123 /nfs/dbraw/zinc/14/71/23/953147123.db2.gz VSPDGEWJSSTIRE-BXUZGUMPSA-N -1 3 383.416 0.255 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)CCc1ncc[nH]1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571223809 953147241 /nfs/dbraw/zinc/14/72/41/953147241.db2.gz XSLZCLNUEIERJZ-LBPRGKRZSA-N -1 3 383.416 0.224 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)CCc1ncc[nH]1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223809 953147243 /nfs/dbraw/zinc/14/72/43/953147243.db2.gz XSLZCLNUEIERJZ-LBPRGKRZSA-N -1 3 383.416 0.224 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001571223853 953147801 /nfs/dbraw/zinc/14/78/01/953147801.db2.gz YMZUIOUESDNNOS-CMPLNLGQSA-N -1 3 383.416 0.786 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001571223853 953147803 /nfs/dbraw/zinc/14/78/03/953147803.db2.gz YMZUIOUESDNNOS-CMPLNLGQSA-N -1 3 383.416 0.786 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2ccnn2C)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223936 953147836 /nfs/dbraw/zinc/14/78/36/953147836.db2.gz WAPWOPVMJVYUNM-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2ccnn2C)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223936 953147838 /nfs/dbraw/zinc/14/78/38/953147838.db2.gz WAPWOPVMJVYUNM-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2ccnn2C)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223937 953147949 /nfs/dbraw/zinc/14/79/49/953147949.db2.gz WAPWOPVMJVYUNM-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2ccnn2C)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223937 953147950 /nfs/dbraw/zinc/14/79/50/953147950.db2.gz WAPWOPVMJVYUNM-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571223909 953147970 /nfs/dbraw/zinc/14/79/70/953147970.db2.gz ZWWRNWZYXQSBES-LLVKDONJSA-N -1 3 383.416 0.509 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571223909 953147971 /nfs/dbraw/zinc/14/79/71/953147971.db2.gz ZWWRNWZYXQSBES-LLVKDONJSA-N -1 3 383.416 0.509 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001571224089 953148487 /nfs/dbraw/zinc/14/84/87/953148487.db2.gz XWTOAALOQREZMD-OCCSQVGLSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001571224089 953148488 /nfs/dbraw/zinc/14/84/88/953148488.db2.gz XWTOAALOQREZMD-OCCSQVGLSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571224041 953148579 /nfs/dbraw/zinc/14/85/79/953148579.db2.gz XJQGPKKISIFEEX-ZYHUDNBSSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571224041 953148580 /nfs/dbraw/zinc/14/85/80/953148580.db2.gz XJQGPKKISIFEEX-ZYHUDNBSSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(C(=O)CCn2cccn2)C1 ZINC001571224146 953149535 /nfs/dbraw/zinc/14/95/35/953149535.db2.gz ZFXWKPVZWORVRB-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)CCn2cccn2)C1 ZINC001571224146 953149538 /nfs/dbraw/zinc/14/95/38/953149538.db2.gz ZFXWKPVZWORVRB-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](CNC(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571224673 953150885 /nfs/dbraw/zinc/15/08/85/953150885.db2.gz CPENVWWNGXXOOV-NSHDSACASA-N -1 3 383.416 0.266 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](CNC(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571224673 953150888 /nfs/dbraw/zinc/15/08/88/953150888.db2.gz CPENVWWNGXXOOV-NSHDSACASA-N -1 3 383.416 0.266 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC001571224920 953151231 /nfs/dbraw/zinc/15/12/31/953151231.db2.gz GNNCVHZVEIRKGZ-PWSUYJOCSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001571224920 953151232 /nfs/dbraw/zinc/15/12/32/953151232.db2.gz GNNCVHZVEIRKGZ-PWSUYJOCSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1C ZINC001571224753 953151285 /nfs/dbraw/zinc/15/12/85/953151285.db2.gz FNPRTERBVPPYRK-GFCCVEGCSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1C ZINC001571224753 953151286 /nfs/dbraw/zinc/15/12/86/953151286.db2.gz FNPRTERBVPPYRK-GFCCVEGCSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1c[nH]nc1C(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001571224947 953151854 /nfs/dbraw/zinc/15/18/54/953151854.db2.gz HBYPDUYGZYEHMG-LBPRGKRZSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1c[nH]nc1C(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001571224947 953151855 /nfs/dbraw/zinc/15/18/55/953151855.db2.gz HBYPDUYGZYEHMG-LBPRGKRZSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1ccnn1CC(=O)N(C)C1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571225282 953152736 /nfs/dbraw/zinc/15/27/36/953152736.db2.gz JIDRPYUGYOVXRZ-UHFFFAOYSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1ccnn1CC(=O)N(C)C1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571225282 953152738 /nfs/dbraw/zinc/15/27/38/953152738.db2.gz JIDRPYUGYOVXRZ-UHFFFAOYSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1nnc(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)CC[C@@H]32)o1 ZINC001571225255 953152830 /nfs/dbraw/zinc/15/28/30/953152830.db2.gz IWMKIHBSDNFNJA-RISCZKNCSA-N -1 3 383.416 0.623 20 0 GCADHM Cc1cn(C)nc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571225232 953152920 /nfs/dbraw/zinc/15/29/20/953152920.db2.gz ISIWZHVFBRGRMQ-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cn(C)nc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571225232 953152921 /nfs/dbraw/zinc/15/29/21/953152921.db2.gz ISIWZHVFBRGRMQ-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571225630 953153754 /nfs/dbraw/zinc/15/37/54/953153754.db2.gz LVSSXAGGWWXANA-WCQYABFASA-N -1 3 383.416 0.119 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571225630 953153757 /nfs/dbraw/zinc/15/37/57/953153757.db2.gz LVSSXAGGWWXANA-WCQYABFASA-N -1 3 383.416 0.119 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)o1 ZINC001571225670 953154806 /nfs/dbraw/zinc/15/48/06/953154806.db2.gz NCTPVYKQZHEHOX-ZYHUDNBSSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)o1 ZINC001571225670 953154809 /nfs/dbraw/zinc/15/48/09/953154809.db2.gz NCTPVYKQZHEHOX-ZYHUDNBSSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1noc(CCC(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571226434 953155375 /nfs/dbraw/zinc/15/53/75/953155375.db2.gz QRNPFMUXMGXONH-ZDUSSCGKSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1noc(CCC(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571226434 953155380 /nfs/dbraw/zinc/15/53/80/953155380.db2.gz QRNPFMUXMGXONH-ZDUSSCGKSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571226441 953155542 /nfs/dbraw/zinc/15/55/42/953155542.db2.gz QWICPEYBHZDBLS-JQWIXIFHSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571226441 953155543 /nfs/dbraw/zinc/15/55/43/953155543.db2.gz QWICPEYBHZDBLS-JQWIXIFHSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)[nH]1 ZINC001571226476 953156373 /nfs/dbraw/zinc/15/63/73/953156373.db2.gz RSBDNRNZVTWONM-NSHDSACASA-N -1 3 383.416 0.427 20 0 GCADHM Cc1nc(C)c(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)[nH]1 ZINC001571226476 953156378 /nfs/dbraw/zinc/15/63/78/953156378.db2.gz RSBDNRNZVTWONM-NSHDSACASA-N -1 3 383.416 0.427 20 0 GCADHM Cc1cncn1CC(=O)NC1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571226662 953157106 /nfs/dbraw/zinc/15/71/06/953157106.db2.gz VJUQDIVSOUGTDK-UHFFFAOYSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571226951 953157624 /nfs/dbraw/zinc/15/76/24/953157624.db2.gz XSLZFEOVQOUMEG-LBPRGKRZSA-N -1 3 383.416 0.846 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571226951 953157627 /nfs/dbraw/zinc/15/76/27/953157627.db2.gz XSLZFEOVQOUMEG-LBPRGKRZSA-N -1 3 383.416 0.846 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571227161 953158384 /nfs/dbraw/zinc/15/83/84/953158384.db2.gz ZYYIEXFWLALKTF-QMMMGPOBSA-N -1 3 383.416 0.425 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571227161 953158387 /nfs/dbraw/zinc/15/83/87/953158387.db2.gz ZYYIEXFWLALKTF-QMMMGPOBSA-N -1 3 383.416 0.425 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571227707 953158905 /nfs/dbraw/zinc/15/89/05/953158905.db2.gz AIVZHWPDQSTARS-NWDGAFQWSA-N -1 3 383.416 0.399 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571227707 953158909 /nfs/dbraw/zinc/15/89/09/953158909.db2.gz AIVZHWPDQSTARS-NWDGAFQWSA-N -1 3 383.416 0.399 20 0 GCADHM Cn1c(C(=O)N2CCCC[C@H]2CNc2ncccc2-c2nnn[n-]2)c[nH]c1=O ZINC001571227849 953159840 /nfs/dbraw/zinc/15/98/40/953159840.db2.gz DEFFWONLIZPYDR-NSHDSACASA-N -1 3 383.416 0.808 20 0 GCADHM Cn1c(C(=O)N2CCCC[C@H]2CNc2ncccc2-c2nn[n-]n2)c[nH]c1=O ZINC001571227849 953159846 /nfs/dbraw/zinc/15/98/46/953159846.db2.gz DEFFWONLIZPYDR-NSHDSACASA-N -1 3 383.416 0.808 20 0 GCADHM Cn1c(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)c[nH]c1=O ZINC001571227959 953160655 /nfs/dbraw/zinc/16/06/55/953160655.db2.gz FIIQDZVLIWPXDX-CMPLNLGQSA-N -1 3 383.416 0.711 20 0 GCADHM Cn1c(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)c[nH]c1=O ZINC001571227959 953160656 /nfs/dbraw/zinc/16/06/56/953160656.db2.gz FIIQDZVLIWPXDX-CMPLNLGQSA-N -1 3 383.416 0.711 20 0 GCADHM C[C@H](Nc1nccnc1-c1nnn[n-]1)C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001571228099 953161923 /nfs/dbraw/zinc/16/19/23/953161923.db2.gz IKEWJPJKIVRRAD-JTQLQIEISA-N -1 3 383.420 0.057 20 0 GCADHM O=C(N[C@H]1CCN(Cc2noc(C3CCC3)n2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571228153 953162497 /nfs/dbraw/zinc/16/24/97/953162497.db2.gz JLOBNAYEMWLJLG-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(N[C@H]1CCN(Cc2noc(C3CCC3)n2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571228153 953162498 /nfs/dbraw/zinc/16/24/98/953162498.db2.gz JLOBNAYEMWLJLG-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(NC[C@H]1CCN1Cc1nc(CC2CC2)no1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571228281 953163725 /nfs/dbraw/zinc/16/37/25/953163725.db2.gz MMRBVJUBXAIUJW-LLVKDONJSA-N -1 3 383.416 0.535 20 0 GCADHM O=C(NC[C@H]1CCN1Cc1nc(CC2CC2)no1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571228281 953163727 /nfs/dbraw/zinc/16/37/27/953163727.db2.gz MMRBVJUBXAIUJW-LLVKDONJSA-N -1 3 383.416 0.535 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@H](NCc2nc(C3CCC3)no2)C1 ZINC001571228285 953163953 /nfs/dbraw/zinc/16/39/53/953163953.db2.gz MNLZEIBLLPANJF-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@H](NCc2nc(C3CCC3)no2)C1 ZINC001571228285 953163955 /nfs/dbraw/zinc/16/39/55/953163955.db2.gz MNLZEIBLLPANJF-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM CCc1nc(NC[C@@H]2CCCCN2C(=O)c2cn[nH]n2)cc(-c2nnn[n-]2)n1 ZINC001571228417 953164504 /nfs/dbraw/zinc/16/45/04/953164504.db2.gz OXMCDKYZJPRYKA-JTQLQIEISA-N -1 3 383.420 0.444 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228578 953165299 /nfs/dbraw/zinc/16/52/99/953165299.db2.gz SJTOIWMPNPJURT-MNOVXSKESA-N -1 3 383.416 0.175 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228578 953165301 /nfs/dbraw/zinc/16/53/01/953165301.db2.gz SJTOIWMPNPJURT-MNOVXSKESA-N -1 3 383.416 0.175 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@H](NCc2nc(C3CC3)no2)C1 ZINC001571228558 953165458 /nfs/dbraw/zinc/16/54/58/953165458.db2.gz RNGYDKHDARLMSO-NSHDSACASA-N -1 3 383.416 0.850 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@H](NCc2nc(C3CC3)no2)C1 ZINC001571228558 953165459 /nfs/dbraw/zinc/16/54/59/953165459.db2.gz RNGYDKHDARLMSO-NSHDSACASA-N -1 3 383.416 0.850 20 0 GCADHM CCc1nc(NC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571228666 953166081 /nfs/dbraw/zinc/16/60/81/953166081.db2.gz VGBJNMXEGXYVJS-VHSXEESVSA-N -1 3 383.420 0.157 20 0 GCADHM O=C(NC[C@@H]1CCCN1Cc1nc(C2CC2)no1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571228840 953166930 /nfs/dbraw/zinc/16/69/30/953166930.db2.gz WIZDYWYUPIUOPR-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(NC[C@@H]1CCCN1Cc1nc(C2CC2)no1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571228840 953166933 /nfs/dbraw/zinc/16/69/33/953166933.db2.gz WIZDYWYUPIUOPR-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM Cc1nonc1C(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228827 953167080 /nfs/dbraw/zinc/16/70/80/953167080.db2.gz WEUCQWLRJGQADP-JQWIXIFHSA-N -1 3 383.416 0.988 20 0 GCADHM Cc1nonc1C(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228827 953167081 /nfs/dbraw/zinc/16/70/81/953167081.db2.gz WEUCQWLRJGQADP-JQWIXIFHSA-N -1 3 383.416 0.988 20 0 GCADHM CCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)c2n[nH]nc2C)CC1 ZINC001571228820 953167117 /nfs/dbraw/zinc/16/71/17/953167117.db2.gz VYHAFCFDXGYQPB-UHFFFAOYSA-N -1 3 383.420 0.580 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571229070 953167548 /nfs/dbraw/zinc/16/75/48/953167548.db2.gz ZGIFMNHRJSOLRY-QWRGUYRKSA-N -1 3 383.420 0.057 20 0 GCADHM Cn1c(C(=O)N[C@@H]2CCC[C@H]2CNc2ncccc2-c2nnn[n-]2)c[nH]c1=O ZINC001571229002 953167864 /nfs/dbraw/zinc/16/78/64/953167864.db2.gz YDDYFXLZSPKRRF-CMPLNLGQSA-N -1 3 383.416 0.711 20 0 GCADHM Cn1c(C(=O)N[C@@H]2CCC[C@H]2CNc2ncccc2-c2nn[n-]n2)c[nH]c1=O ZINC001571229002 953167866 /nfs/dbraw/zinc/16/78/66/953167866.db2.gz YDDYFXLZSPKRRF-CMPLNLGQSA-N -1 3 383.416 0.711 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571229546 953170435 /nfs/dbraw/zinc/17/04/35/953170435.db2.gz IFKOIEVFQPXITC-ONGXEEELSA-N -1 3 383.420 0.497 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCC[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571230021 953173663 /nfs/dbraw/zinc/17/36/63/953173663.db2.gz QZFFQTHUHMUBQF-KOLCDFICSA-N -1 3 383.420 0.436 20 0 GCADHM Cn1nnc(C(=O)N[C@H]2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571230128 953173833 /nfs/dbraw/zinc/17/38/33/953173833.db2.gz SBKADIYMTCRKGD-JQWIXIFHSA-N -1 3 383.420 0.186 20 0 GCADHM Cn1nnc(C(=O)N[C@H]2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571230128 953173835 /nfs/dbraw/zinc/17/38/35/953173835.db2.gz SBKADIYMTCRKGD-JQWIXIFHSA-N -1 3 383.420 0.186 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC2CCN(C(=O)c3nnn(C)n3)CC2)n1 ZINC001571230534 953178339 /nfs/dbraw/zinc/17/83/39/953178339.db2.gz XKZWBGZUJBXLGT-UHFFFAOYSA-N -1 3 383.420 0.058 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC2CCN(C(=O)c3nnn(C)n3)CC2)n1 ZINC001571230534 953178340 /nfs/dbraw/zinc/17/83/40/953178340.db2.gz XKZWBGZUJBXLGT-UHFFFAOYSA-N -1 3 383.420 0.058 20 0 GCADHM Cc1nnsc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001571230724 953179503 /nfs/dbraw/zinc/17/95/03/953179503.db2.gz ISCXQTMMZDXDHE-QWRGUYRKSA-N -1 3 383.441 0.833 20 0 GCADHM Cc1nnsc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001571230724 953179510 /nfs/dbraw/zinc/17/95/10/953179510.db2.gz ISCXQTMMZDXDHE-QWRGUYRKSA-N -1 3 383.441 0.833 20 0 GCADHM Nc1sc2c(c1-c1nnn[n-]1)CCN(C(=O)c1cnc(C3CC3)nc1N)C2 ZINC001571231084 953182785 /nfs/dbraw/zinc/18/27/85/953182785.db2.gz RTNUKMODLPBGSI-UHFFFAOYSA-N -1 3 383.441 0.959 20 0 GCADHM Nc1sc2c(c1-c1nn[n-]n1)CCN(C(=O)c1cnc(C3CC3)nc1N)C2 ZINC001571231084 953182787 /nfs/dbraw/zinc/18/27/87/953182787.db2.gz RTNUKMODLPBGSI-UHFFFAOYSA-N -1 3 383.441 0.959 20 0 GCADHM Cc1nnsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1 ZINC001571231100 953183134 /nfs/dbraw/zinc/18/31/34/953183134.db2.gz SDMOTEITGMNXDM-USWWRNFRSA-N -1 3 383.441 0.961 20 0 GCADHM Cc1nnsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1 ZINC001571231100 953183136 /nfs/dbraw/zinc/18/31/36/953183136.db2.gz SDMOTEITGMNXDM-USWWRNFRSA-N -1 3 383.441 0.961 20 0 GCADHM CNC(=O)[C@H](NC(=O)CSc1ccncc1-c1nnn[n-]1)c1ccccc1 ZINC001571231231 953183882 /nfs/dbraw/zinc/18/38/82/953183882.db2.gz VUGICJAGZXMVCA-OAHLLOKOSA-N -1 3 383.437 0.957 20 0 GCADHM CNC(=O)[C@H](NC(=O)CSc1ccncc1-c1nn[n-]n1)c1ccccc1 ZINC001571231231 953183885 /nfs/dbraw/zinc/18/38/85/953183885.db2.gz VUGICJAGZXMVCA-OAHLLOKOSA-N -1 3 383.437 0.957 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571231213 953184013 /nfs/dbraw/zinc/18/40/13/953184013.db2.gz VKPSIKNXZLOJPK-MRXNPFEDSA-N -1 3 383.456 0.522 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571231213 953184015 /nfs/dbraw/zinc/18/40/15/953184015.db2.gz VKPSIKNXZLOJPK-MRXNPFEDSA-N -1 3 383.456 0.522 20 0 GCADHM O=C([C@H]1CC12CC2)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571232114 953186365 /nfs/dbraw/zinc/18/63/65/953186365.db2.gz BLNOQVDWEGGIDE-LSDHHAIUSA-N -1 3 383.456 0.852 20 0 GCADHM O=C([C@H]1CC12CC2)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571232114 953186368 /nfs/dbraw/zinc/18/63/68/953186368.db2.gz BLNOQVDWEGGIDE-LSDHHAIUSA-N -1 3 383.456 0.852 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)[C@@H]1CC2CCC1CC2 ZINC001571232321 953186716 /nfs/dbraw/zinc/18/67/16/953186716.db2.gz DTXCUGIVJWHXSR-NIVQVHKNSA-N -1 3 383.456 0.754 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)[C@@H]1CC2CCC1CC2 ZINC001571232321 953186719 /nfs/dbraw/zinc/18/67/19/953186719.db2.gz DTXCUGIVJWHXSR-NIVQVHKNSA-N -1 3 383.456 0.754 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N(C)[C@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001571232299 953186989 /nfs/dbraw/zinc/18/69/89/953186989.db2.gz DEXAVHSQZKUFST-ARLBYUKCSA-N -1 3 383.456 0.890 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)[C@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001571232299 953186992 /nfs/dbraw/zinc/18/69/92/953186992.db2.gz DEXAVHSQZKUFST-ARLBYUKCSA-N -1 3 383.456 0.890 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001571232684 953188270 /nfs/dbraw/zinc/18/82/70/953188270.db2.gz JCOIDAQBDMGHDA-CNRIWFPOSA-N -1 3 383.456 0.754 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001571232684 953188273 /nfs/dbraw/zinc/18/82/73/953188273.db2.gz JCOIDAQBDMGHDA-CNRIWFPOSA-N -1 3 383.456 0.754 20 0 GCADHM CN(Cc1nccn1C)C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571233702 953195344 /nfs/dbraw/zinc/19/53/44/953195344.db2.gz BECSYRNSAPYQMQ-ZDUSSCGKSA-N -1 3 383.460 0.913 20 0 GCADHM CN1CCCC[C@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571234229 953199871 /nfs/dbraw/zinc/19/98/71/953199871.db2.gz QGPXJJWNJPQLPD-MJBXVCDLSA-N -1 3 383.460 0.036 20 0 GCADHM COC(=O)[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccn1)c1ccc(OC)c(O)c1 ZINC001571234674 953204982 /nfs/dbraw/zinc/20/49/82/953204982.db2.gz FSLMEBOFDWJZQS-CQSZACIVSA-N -1 3 384.352 0.620 20 0 GCADHM COC(=O)[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccn1)c1ccc(OC)c(O)c1 ZINC001571234674 953204984 /nfs/dbraw/zinc/20/49/84/953204984.db2.gz FSLMEBOFDWJZQS-CQSZACIVSA-N -1 3 384.352 0.620 20 0 GCADHM COC(=O)[C@@](C)(CO)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001571234883 953206475 /nfs/dbraw/zinc/20/64/75/953206475.db2.gz LSPTUOGGHSXADB-CYBMUJFWSA-N -1 3 384.190 0.283 20 0 GCADHM COC(=O)[C@@](C)(CO)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001571234883 953206477 /nfs/dbraw/zinc/20/64/77/953206477.db2.gz LSPTUOGGHSXADB-CYBMUJFWSA-N -1 3 384.190 0.283 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571234980 953207686 /nfs/dbraw/zinc/20/76/86/953207686.db2.gz ONNXZLKITKAFHT-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571234980 953207689 /nfs/dbraw/zinc/20/76/89/953207689.db2.gz ONNXZLKITKAFHT-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001571235248 953210665 /nfs/dbraw/zinc/21/06/65/953210665.db2.gz YIUPCJVZDBLSIK-OLZOCXBDSA-N -1 3 384.362 0.712 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1CNC(=O)c1cnco1 ZINC001571235379 953212183 /nfs/dbraw/zinc/21/21/83/953212183.db2.gz BYQAHFUDLHPOSS-GHMZBOCLSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1CNC(=O)c1cnco1 ZINC001571235379 953212185 /nfs/dbraw/zinc/21/21/85/953212185.db2.gz BYQAHFUDLHPOSS-GHMZBOCLSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)Cc2cnoc2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571235488 953212973 /nfs/dbraw/zinc/21/29/73/953212973.db2.gz GNFGNCUJOWFOKL-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)Cc2cnoc2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571235488 953212976 /nfs/dbraw/zinc/21/29/76/953212976.db2.gz GNFGNCUJOWFOKL-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)Cc2cnoc2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571235491 953213149 /nfs/dbraw/zinc/21/31/49/953213149.db2.gz GNFGNCUJOWFOKL-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)Cc2cnoc2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571235491 953213151 /nfs/dbraw/zinc/21/31/51/953213151.db2.gz GNFGNCUJOWFOKL-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM CC1(CNC(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)OCCO1 ZINC001571235556 953213583 /nfs/dbraw/zinc/21/35/83/953213583.db2.gz IHNRGRXZQZEHJI-UHFFFAOYSA-N -1 3 384.400 0.996 20 0 GCADHM CC1(CNC(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)OCCO1 ZINC001571235556 953213585 /nfs/dbraw/zinc/21/35/85/953213585.db2.gz IHNRGRXZQZEHJI-UHFFFAOYSA-N -1 3 384.400 0.996 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)on1 ZINC001571235568 953213700 /nfs/dbraw/zinc/21/37/00/953213700.db2.gz IXVLQCJIVVFZRQ-NSHDSACASA-N -1 3 384.400 0.966 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)on1 ZINC001571235568 953213703 /nfs/dbraw/zinc/21/37/03/953213703.db2.gz IXVLQCJIVVFZRQ-NSHDSACASA-N -1 3 384.400 0.966 20 0 GCADHM CCc1nc(C)c(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001571235762 953214947 /nfs/dbraw/zinc/21/49/47/953214947.db2.gz PLIOGLIYFKRRIP-XYPYZODXSA-N -1 3 384.400 0.744 20 0 GCADHM CCc1nc(C)c(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001571235762 953214949 /nfs/dbraw/zinc/21/49/49/953214949.db2.gz PLIOGLIYFKRRIP-XYPYZODXSA-N -1 3 384.400 0.744 20 0 GCADHM CCc1ncoc1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235715 953215107 /nfs/dbraw/zinc/21/51/07/953215107.db2.gz OLBFEQLXCDKBNW-UWVGGRQHSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ncoc1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235715 953215109 /nfs/dbraw/zinc/21/51/09/953215109.db2.gz OLBFEQLXCDKBNW-UWVGGRQHSA-N -1 3 384.400 0.778 20 0 GCADHM NC(=O)c1cc(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)c[nH]1 ZINC001571235710 953215192 /nfs/dbraw/zinc/21/51/92/953215192.db2.gz OJRQDFDVQWGGJP-SNVBAGLBSA-N -1 3 384.375 0.759 20 0 GCADHM NC(=O)c1cc(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)c[nH]1 ZINC001571235710 953215194 /nfs/dbraw/zinc/21/51/94/953215194.db2.gz OJRQDFDVQWGGJP-SNVBAGLBSA-N -1 3 384.375 0.759 20 0 GCADHM CCc1ncoc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235714 953215297 /nfs/dbraw/zinc/21/52/97/953215297.db2.gz OLBFEQLXCDKBNW-NXEZZACHSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ncoc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235714 953215300 /nfs/dbraw/zinc/21/53/00/953215300.db2.gz OLBFEQLXCDKBNW-NXEZZACHSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1onc(C)c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571236133 953215776 /nfs/dbraw/zinc/21/57/76/953215776.db2.gz RQWUCEMOIIGFKZ-JTQLQIEISA-N -1 3 384.400 0.698 20 0 GCADHM CCc1onc(C)c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571236133 953215779 /nfs/dbraw/zinc/21/57/79/953215779.db2.gz RQWUCEMOIIGFKZ-JTQLQIEISA-N -1 3 384.400 0.698 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571235891 953215842 /nfs/dbraw/zinc/21/58/42/953215842.db2.gz QUPBHFICSGQDFI-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571235891 953215844 /nfs/dbraw/zinc/21/58/44/953215844.db2.gz QUPBHFICSGQDFI-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)on1 ZINC001571236207 953216385 /nfs/dbraw/zinc/21/63/85/953216385.db2.gz VKGWJWFTGLOLOZ-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)on1 ZINC001571236207 953216388 /nfs/dbraw/zinc/21/63/88/953216388.db2.gz VKGWJWFTGLOLOZ-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)cc1=O ZINC001571236145 953216591 /nfs/dbraw/zinc/21/65/91/953216591.db2.gz SAPBPIFODPBTGG-SNVBAGLBSA-N -1 3 384.375 0.426 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)cc1=O ZINC001571236145 953216593 /nfs/dbraw/zinc/21/65/93/953216593.db2.gz SAPBPIFODPBTGG-SNVBAGLBSA-N -1 3 384.375 0.426 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)c1ccc(F)cn1 ZINC001571236198 953216693 /nfs/dbraw/zinc/21/66/93/953216693.db2.gz UVCSDYMZCOOQDX-CYBMUJFWSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)c1ccc(F)cn1 ZINC001571236198 953216699 /nfs/dbraw/zinc/21/66/99/953216699.db2.gz UVCSDYMZCOOQDX-CYBMUJFWSA-N -1 3 384.375 0.431 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2conc2C)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571236216 953216794 /nfs/dbraw/zinc/21/67/94/953216794.db2.gz VVLAUCYOQDCVNV-GXTWGEPZSA-N -1 3 384.400 0.914 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2conc2C)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571236216 953216795 /nfs/dbraw/zinc/21/67/95/953216795.db2.gz VVLAUCYOQDCVNV-GXTWGEPZSA-N -1 3 384.400 0.914 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571236219 953216914 /nfs/dbraw/zinc/21/69/14/953216914.db2.gz WAWHNTWGDXDYPJ-KOLCDFICSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571236219 953216915 /nfs/dbraw/zinc/21/69/15/953216915.db2.gz WAWHNTWGDXDYPJ-KOLCDFICSA-N -1 3 384.375 0.762 20 0 GCADHM CNC(=O)NC[C@H]1CN(C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)CCO1 ZINC001571236401 953217301 /nfs/dbraw/zinc/21/73/01/953217301.db2.gz YVIWRXMRKHSVOY-JTQLQIEISA-N -1 3 384.400 0.118 20 0 GCADHM COc1cc(C(=O)N(C)C2CCN(c3ncccc3-c3nnn[n-]3)CC2)on1 ZINC001571236337 953217344 /nfs/dbraw/zinc/21/73/44/953217344.db2.gz WRUHLRCHFZVENX-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM COc1cc(C(=O)N(C)C2CCN(c3ncccc3-c3nn[n-]n3)CC2)on1 ZINC001571236337 953217346 /nfs/dbraw/zinc/21/73/46/953217346.db2.gz WRUHLRCHFZVENX-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM O=C(N[C@H]1C[C@H](CNC(=O)c2ccc(F)cn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571236333 953217360 /nfs/dbraw/zinc/21/73/60/953217360.db2.gz WPCPPMPOKQYOTI-OTCDBFHCSA-N -1 3 384.375 0.667 20 0 GCADHM O=C(N[C@H]1C[C@H](CNC(=O)c2ccc(F)cn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571236333 953217363 /nfs/dbraw/zinc/21/73/63/953217363.db2.gz WPCPPMPOKQYOTI-OTCDBFHCSA-N -1 3 384.375 0.667 20 0 GCADHM COCc1cc(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)no1 ZINC001571236351 953217714 /nfs/dbraw/zinc/21/77/14/953217714.db2.gz XDEXXEQRLYFBMO-NSHDSACASA-N -1 3 384.400 0.795 20 0 GCADHM COCc1cc(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)no1 ZINC001571236351 953217716 /nfs/dbraw/zinc/21/77/16/953217716.db2.gz XDEXXEQRLYFBMO-NSHDSACASA-N -1 3 384.400 0.795 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C[C@@H]2O)no1 ZINC001571236663 953218121 /nfs/dbraw/zinc/21/81/21/953218121.db2.gz AQIJJQRJCIETKU-OCCSQVGLSA-N -1 3 384.400 0.236 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C[C@@H]2O)no1 ZINC001571236663 953218124 /nfs/dbraw/zinc/21/81/24/953218124.db2.gz AQIJJQRJCIETKU-OCCSQVGLSA-N -1 3 384.400 0.236 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC(NC(=O)c2ccon2)CC1 ZINC001571236426 953218212 /nfs/dbraw/zinc/21/82/12/953218212.db2.gz ZOHIMXUIEYVVGO-UHFFFAOYSA-N -1 3 384.400 0.996 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC(NC(=O)c2ccon2)CC1 ZINC001571236426 953218213 /nfs/dbraw/zinc/21/82/13/953218213.db2.gz ZOHIMXUIEYVVGO-UHFFFAOYSA-N -1 3 384.400 0.996 20 0 GCADHM O=C(c1cc(F)c[nH]1)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001571236407 953218296 /nfs/dbraw/zinc/21/82/96/953218296.db2.gz ZAODTAFNFNSFHQ-UHFFFAOYSA-N -1 3 384.375 0.650 20 0 GCADHM O=C(c1cc(F)c[nH]1)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571236407 953218298 /nfs/dbraw/zinc/21/82/98/953218298.db2.gz ZAODTAFNFNSFHQ-UHFFFAOYSA-N -1 3 384.375 0.650 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2(C)C)on1 ZINC001571236945 953218702 /nfs/dbraw/zinc/21/87/02/953218702.db2.gz DBAVBOLDJBHSFL-ZDUSSCGKSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2(C)C)on1 ZINC001571236945 953218706 /nfs/dbraw/zinc/21/87/06/953218706.db2.gz DBAVBOLDJBHSFL-ZDUSSCGKSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1cc(C(=O)NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)ncc1-c1nnn[n-]1 ZINC001571236702 953219208 /nfs/dbraw/zinc/21/92/08/953219208.db2.gz BRTMAKUCFUYJOO-UHFFFAOYSA-N -1 3 384.400 0.517 20 0 GCADHM Cc1cc(C(=O)NCc2cn(C(C)(C)C)c(=O)[nH]c2=O)ncc1-c1nn[n-]n1 ZINC001571236702 953219210 /nfs/dbraw/zinc/21/92/10/953219210.db2.gz BRTMAKUCFUYJOO-UHFFFAOYSA-N -1 3 384.400 0.517 20 0 GCADHM COc1nc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)co1 ZINC001571237313 953220605 /nfs/dbraw/zinc/22/06/05/953220605.db2.gz HCDCHELHCIDYTJ-NSHDSACASA-N -1 3 384.400 0.823 20 0 GCADHM COc1nc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)co1 ZINC001571237313 953220606 /nfs/dbraw/zinc/22/06/06/953220606.db2.gz HCDCHELHCIDYTJ-NSHDSACASA-N -1 3 384.400 0.823 20 0 GCADHM Cc1noc(C)c1C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571237428 953221110 /nfs/dbraw/zinc/22/11/10/953221110.db2.gz HODQJVVJZDAXRX-LLVKDONJSA-N -1 3 384.400 0.786 20 0 GCADHM Cc1noc(C)c1C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571237428 953221115 /nfs/dbraw/zinc/22/11/15/953221115.db2.gz HODQJVVJZDAXRX-LLVKDONJSA-N -1 3 384.400 0.786 20 0 GCADHM Cc1ncoc1C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571238059 953225017 /nfs/dbraw/zinc/22/50/17/953225017.db2.gz SKHLHBJLCLIAQX-BXKDBHETSA-N -1 3 384.400 0.629 20 0 GCADHM Cc1ncoc1C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571238059 953225022 /nfs/dbraw/zinc/22/50/22/953225022.db2.gz SKHLHBJLCLIAQX-BXKDBHETSA-N -1 3 384.400 0.629 20 0 GCADHM Cc1nocc1C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238092 953225292 /nfs/dbraw/zinc/22/52/92/953225292.db2.gz TYCZAOCWUCQLPJ-GFCCVEGCSA-N -1 3 384.400 0.916 20 0 GCADHM Cc1nocc1C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238092 953225295 /nfs/dbraw/zinc/22/52/95/953225295.db2.gz TYCZAOCWUCQLPJ-GFCCVEGCSA-N -1 3 384.400 0.916 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571238075 953225708 /nfs/dbraw/zinc/22/57/08/953225708.db2.gz SXUAUMBBFSRWJM-ZYHUDNBSSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571238075 953225709 /nfs/dbraw/zinc/22/57/09/953225709.db2.gz SXUAUMBBFSRWJM-ZYHUDNBSSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571238097 953225752 /nfs/dbraw/zinc/22/57/52/953225752.db2.gz UBVAOGNAGKYQBX-MNOVXSKESA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571238097 953225754 /nfs/dbraw/zinc/22/57/54/953225754.db2.gz UBVAOGNAGKYQBX-MNOVXSKESA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)no1 ZINC001571238200 953226035 /nfs/dbraw/zinc/22/60/35/953226035.db2.gz WLHFXDHVKMJRCZ-ZWNOBZJWSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1cc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)no1 ZINC001571238200 953226039 /nfs/dbraw/zinc/22/60/39/953226039.db2.gz WLHFXDHVKMJRCZ-ZWNOBZJWSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1conc1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571238190 953226304 /nfs/dbraw/zinc/22/63/04/953226304.db2.gz WGALXBQQKJRSFM-GFCCVEGCSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1conc1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571238190 953226305 /nfs/dbraw/zinc/22/63/05/953226305.db2.gz WGALXBQQKJRSFM-GFCCVEGCSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1conc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571238191 953226556 /nfs/dbraw/zinc/22/65/56/953226556.db2.gz WGALXBQQKJRSFM-LBPRGKRZSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1conc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571238191 953226558 /nfs/dbraw/zinc/22/65/58/953226558.db2.gz WGALXBQQKJRSFM-LBPRGKRZSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1cc(CC(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571238173 953226687 /nfs/dbraw/zinc/22/66/87/953226687.db2.gz VVZBNVUOYCOSKA-LBPRGKRZSA-N -1 3 384.400 0.455 20 0 GCADHM Cc1cc(CC(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571238173 953226688 /nfs/dbraw/zinc/22/66/88/953226688.db2.gz VVZBNVUOYCOSKA-LBPRGKRZSA-N -1 3 384.400 0.455 20 0 GCADHM Cc1ncoc1C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238284 953227036 /nfs/dbraw/zinc/22/70/36/953227036.db2.gz YONVLBMDAANUEK-GHMZBOCLSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1ncoc1C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238284 953227039 /nfs/dbraw/zinc/22/70/39/953227039.db2.gz YONVLBMDAANUEK-GHMZBOCLSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C)o1 ZINC001571238250 953227066 /nfs/dbraw/zinc/22/70/66/953227066.db2.gz XZNIEHPANSKNIQ-UFBFGSQYSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C)o1 ZINC001571238250 953227068 /nfs/dbraw/zinc/22/70/68/953227068.db2.gz XZNIEHPANSKNIQ-UFBFGSQYSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1ncoc1C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238238 953227077 /nfs/dbraw/zinc/22/70/77/953227077.db2.gz XVEDZLOCXGWKGO-GFCCVEGCSA-N -1 3 384.400 0.916 20 0 GCADHM Cc1ncoc1C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238238 953227078 /nfs/dbraw/zinc/22/70/78/953227078.db2.gz XVEDZLOCXGWKGO-GFCCVEGCSA-N -1 3 384.400 0.916 20 0 GCADHM Cc1ocnc1C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238317 953227806 /nfs/dbraw/zinc/22/78/06/953227806.db2.gz ZNYSITGTCMIMJE-LLVKDONJSA-N -1 3 384.400 0.773 20 0 GCADHM Cc1ocnc1C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238317 953227809 /nfs/dbraw/zinc/22/78/09/953227809.db2.gz ZNYSITGTCMIMJE-LLVKDONJSA-N -1 3 384.400 0.773 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]c1=O ZINC001571238375 953228404 /nfs/dbraw/zinc/22/84/04/953228404.db2.gz AVYJBUBIHDEYDJ-NXEZZACHSA-N -1 3 384.404 0.106 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]c1=O ZINC001571238376 953228449 /nfs/dbraw/zinc/22/84/49/953228449.db2.gz AVYJBUBIHDEYDJ-UWVGGRQHSA-N -1 3 384.404 0.106 20 0 GCADHM Cc1nc[nH]c1C(=O)N1CCO[C@@H]([C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238632 953231592 /nfs/dbraw/zinc/23/15/92/953231592.db2.gz ISBKWUIMENBPHC-JOYOIKCWSA-N -1 3 384.404 0.030 20 0 GCADHM Cn1cc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)[nH]c1=O ZINC001571238720 953232680 /nfs/dbraw/zinc/23/26/80/953232680.db2.gz LDAXTEXRXZSJEQ-SNVBAGLBSA-N -1 3 384.404 0.203 20 0 GCADHM CN(C(=O)c1nc[nH]n1)C1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571239109 953235293 /nfs/dbraw/zinc/23/52/93/953235293.db2.gz QRGAEPJQKASKPW-UHFFFAOYSA-N -1 3 384.404 0.126 20 0 GCADHM CN(C(=O)c1nc[nH]n1)C1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571239109 953235295 /nfs/dbraw/zinc/23/52/95/953235295.db2.gz QRGAEPJQKASKPW-UHFFFAOYSA-N -1 3 384.404 0.126 20 0 GCADHM COc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)sn1 ZINC001571241615 953248389 /nfs/dbraw/zinc/24/83/89/953248389.db2.gz GIZBALKZUDQBIR-MSRIBSCDSA-N -1 3 384.425 0.591 20 0 GCADHM COc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)sn1 ZINC001571241615 953248392 /nfs/dbraw/zinc/24/83/92/953248392.db2.gz GIZBALKZUDQBIR-MSRIBSCDSA-N -1 3 384.425 0.591 20 0 GCADHM O=C(Cc1cncs1)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001571241785 953249440 /nfs/dbraw/zinc/24/94/40/953249440.db2.gz LLXBHQNWNCMKEW-MSRIBSCDSA-N -1 3 384.425 0.081 20 0 GCADHM O=C(Cc1cncs1)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571241785 953249444 /nfs/dbraw/zinc/24/94/44/953249444.db2.gz LLXBHQNWNCMKEW-MSRIBSCDSA-N -1 3 384.425 0.081 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001571241752 953249910 /nfs/dbraw/zinc/24/99/10/953249910.db2.gz KPNGJFNAIGMLQS-AWEZNQCLSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001571241752 953249914 /nfs/dbraw/zinc/24/99/14/953249914.db2.gz KPNGJFNAIGMLQS-AWEZNQCLSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571241830 953250339 /nfs/dbraw/zinc/25/03/39/953250339.db2.gz MJXPOJKLCYGGFD-RISCZKNCSA-N -1 3 384.444 0.246 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571241830 953250343 /nfs/dbraw/zinc/25/03/43/953250343.db2.gz MJXPOJKLCYGGFD-RISCZKNCSA-N -1 3 384.444 0.246 20 0 GCADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCC(=O)N=S(C)(C)=O)n1 ZINC001571241894 953250883 /nfs/dbraw/zinc/25/08/83/953250883.db2.gz OYDJHLZPKFOMLD-UHFFFAOYSA-N -1 3 384.443 0.785 20 0 GCADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCC(=O)N=S(C)(C)=O)n1 ZINC001571241894 953250885 /nfs/dbraw/zinc/25/08/85/953250885.db2.gz OYDJHLZPKFOMLD-UHFFFAOYSA-N -1 3 384.443 0.785 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)c1 ZINC001571242011 953252045 /nfs/dbraw/zinc/25/20/45/953252045.db2.gz STMFXKRXBBJYSH-HNNXBMFYSA-N -1 3 384.419 0.901 20 0 GCADHM Cc1ccnn1CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571242023 953252066 /nfs/dbraw/zinc/25/20/66/953252066.db2.gz SWHHIWUAAWFBKB-CQSZACIVSA-N -1 3 384.419 0.901 20 0 GCADHM Cc1ccnn1CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571242023 953252071 /nfs/dbraw/zinc/25/20/71/953252071.db2.gz SWHHIWUAAWFBKB-CQSZACIVSA-N -1 3 384.419 0.901 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242036 953252079 /nfs/dbraw/zinc/25/20/79/953252079.db2.gz TZUVFQNRHHTDLH-AAEUAGOBSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242036 953252086 /nfs/dbraw/zinc/25/20/86/953252086.db2.gz TZUVFQNRHHTDLH-AAEUAGOBSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CC1 ZINC001571242028 953252259 /nfs/dbraw/zinc/25/22/59/953252259.db2.gz TUESFJFGNHHCEB-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CC1 ZINC001571242028 953252261 /nfs/dbraw/zinc/25/22/61/953252261.db2.gz TUESFJFGNHHCEB-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM Cc1ccnn1CC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571242022 953252326 /nfs/dbraw/zinc/25/23/26/953252326.db2.gz SWHHIWUAAWFBKB-AWEZNQCLSA-N -1 3 384.419 0.901 20 0 GCADHM Cc1ccnn1CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571242022 953252328 /nfs/dbraw/zinc/25/23/28/953252328.db2.gz SWHHIWUAAWFBKB-AWEZNQCLSA-N -1 3 384.419 0.901 20 0 GCADHM C[C@]1(NC(=O)[C@H]2CCNC(=O)CC2)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242163 953253627 /nfs/dbraw/zinc/25/36/27/953253627.db2.gz BZOAUJFOXRRSLK-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(NC(=O)[C@H]2CCNC(=O)CC2)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242163 953253632 /nfs/dbraw/zinc/25/36/32/953253632.db2.gz BZOAUJFOXRRSLK-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571242178 953253749 /nfs/dbraw/zinc/25/37/49/953253749.db2.gz CAIHYMIELCPXNJ-UMVBOHGHSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571242178 953253750 /nfs/dbraw/zinc/25/37/50/953253750.db2.gz CAIHYMIELCPXNJ-UMVBOHGHSA-N -1 3 384.444 0.579 20 0 GCADHM NC(=O)c1csc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571242249 953255020 /nfs/dbraw/zinc/25/50/20/953255020.db2.gz XWDWIZXDMFMNEM-SNVBAGLBSA-N -1 3 384.425 0.431 20 0 GCADHM NC(=O)c1csc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571242249 953255022 /nfs/dbraw/zinc/25/50/22/953255022.db2.gz XWDWIZXDMFMNEM-SNVBAGLBSA-N -1 3 384.425 0.431 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC001571242325 953255666 /nfs/dbraw/zinc/25/56/66/953255666.db2.gz DFQOREDZXZQJFX-UKRRQHHQSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC001571242325 953255668 /nfs/dbraw/zinc/25/56/68/953255668.db2.gz DFQOREDZXZQJFX-UKRRQHHQSA-N -1 3 384.444 0.358 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001571242316 953255877 /nfs/dbraw/zinc/25/58/77/953255877.db2.gz DEFYAKPNRXMTFM-TZMCWYRMSA-N -1 3 384.444 0.310 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001571242316 953255882 /nfs/dbraw/zinc/25/58/82/953255882.db2.gz DEFYAKPNRXMTFM-TZMCWYRMSA-N -1 3 384.444 0.310 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571242520 953256944 /nfs/dbraw/zinc/25/69/44/953256944.db2.gz IELCMZUDVXDJFK-KGLIPLIRSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571242520 953256947 /nfs/dbraw/zinc/25/69/47/953256947.db2.gz IELCMZUDVXDJFK-KGLIPLIRSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571242613 953257880 /nfs/dbraw/zinc/25/78/80/953257880.db2.gz KHEUHYSLLNRQHN-KBPBESRZSA-N -1 3 384.444 0.358 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571242613 953257882 /nfs/dbraw/zinc/25/78/82/953257882.db2.gz KHEUHYSLLNRQHN-KBPBESRZSA-N -1 3 384.444 0.358 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242652 953258638 /nfs/dbraw/zinc/25/86/38/953258638.db2.gz KYYVOQCCWHPXSP-OCCSQVGLSA-N -1 3 384.444 0.533 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242652 953258639 /nfs/dbraw/zinc/25/86/39/953258639.db2.gz KYYVOQCCWHPXSP-OCCSQVGLSA-N -1 3 384.444 0.533 20 0 GCADHM CCN1C[C@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571242760 953259419 /nfs/dbraw/zinc/25/94/19/953259419.db2.gz NJPZAAKKAJWMCE-KGLIPLIRSA-N -1 3 384.444 0.533 20 0 GCADHM CCN1C[C@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571242760 953259420 /nfs/dbraw/zinc/25/94/20/953259420.db2.gz NJPZAAKKAJWMCE-KGLIPLIRSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571242713 953259472 /nfs/dbraw/zinc/25/94/72/953259472.db2.gz MEYKNZMFMJDAAB-STQMWFEESA-N -1 3 384.444 0.391 20 0 GCADHM C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571242713 953259473 /nfs/dbraw/zinc/25/94/73/953259473.db2.gz MEYKNZMFMJDAAB-STQMWFEESA-N -1 3 384.444 0.391 20 0 GCADHM CN(C(=O)C[C@H]1CCC(=O)N1)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571242696 953259685 /nfs/dbraw/zinc/25/96/85/953259685.db2.gz LXJODYSSLKSGJK-GFCCVEGCSA-N -1 3 384.444 0.358 20 0 GCADHM CN(C(=O)C[C@H]1CCC(=O)N1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571242696 953259688 /nfs/dbraw/zinc/25/96/88/953259688.db2.gz LXJODYSSLKSGJK-GFCCVEGCSA-N -1 3 384.444 0.358 20 0 GCADHM CN1CC[C@@H](CC(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)C1=O ZINC001571242787 953260001 /nfs/dbraw/zinc/26/00/01/953260001.db2.gz NVXYOQHUYSJJNA-STQMWFEESA-N -1 3 384.444 0.391 20 0 GCADHM CN1CC[C@@H](CC(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)C1=O ZINC001571242787 953260005 /nfs/dbraw/zinc/26/00/05/953260005.db2.gz NVXYOQHUYSJJNA-STQMWFEESA-N -1 3 384.444 0.391 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)CN1CCCC1=O ZINC001571242809 953260029 /nfs/dbraw/zinc/26/00/29/953260029.db2.gz OPRDTCSWSQYAPK-CYBMUJFWSA-N -1 3 384.444 0.215 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)CN1CCCC1=O ZINC001571242809 953260033 /nfs/dbraw/zinc/26/00/33/953260033.db2.gz OPRDTCSWSQYAPK-CYBMUJFWSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)CCN1c1ncccc1-c1nnn[n-]1 ZINC001571242789 953260554 /nfs/dbraw/zinc/26/05/54/953260554.db2.gz OAUBSPDTZZUUTE-KWCYVHTRSA-N -1 3 384.444 0.356 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC(=O)N2C)CCN1c1ncccc1-c1nn[n-]n1 ZINC001571242789 953260555 /nfs/dbraw/zinc/26/05/55/953260555.db2.gz OAUBSPDTZZUUTE-KWCYVHTRSA-N -1 3 384.444 0.356 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001571242869 953261067 /nfs/dbraw/zinc/26/10/67/953261067.db2.gz QARBUNSXNLXKQZ-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001571242869 953261070 /nfs/dbraw/zinc/26/10/70/953261070.db2.gz QARBUNSXNLXKQZ-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM CCN1C[C@@H](C(=O)N2CC[C@@H](N(C)c3ncccc3-c3nnn[n-]3)C2)CC1=O ZINC001571242941 953261756 /nfs/dbraw/zinc/26/17/56/953261756.db2.gz RMJRTSSWGRNOJK-QWHCGFSZSA-N -1 3 384.444 0.167 20 0 GCADHM CCN1C[C@@H](C(=O)N2CC[C@@H](N(C)c3ncccc3-c3nn[n-]n3)C2)CC1=O ZINC001571242941 953261758 /nfs/dbraw/zinc/26/17/58/953261758.db2.gz RMJRTSSWGRNOJK-QWHCGFSZSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001571242954 953262187 /nfs/dbraw/zinc/26/21/87/953262187.db2.gz RVPUNCYAVXMREL-FZMZJTMJSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001571242954 953262192 /nfs/dbraw/zinc/26/21/92/953262192.db2.gz RVPUNCYAVXMREL-FZMZJTMJSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001571243022 953262795 /nfs/dbraw/zinc/26/27/95/953262795.db2.gz UDOVIKIRMBSCHG-SMDDNHRTSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001571243022 953262797 /nfs/dbraw/zinc/26/27/97/953262797.db2.gz UDOVIKIRMBSCHG-SMDDNHRTSA-N -1 3 384.444 0.579 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571243062 953262918 /nfs/dbraw/zinc/26/29/18/953262918.db2.gz UZPDTXJCWYUKJO-MELADBBJSA-N -1 3 384.444 0.214 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571243062 953262923 /nfs/dbraw/zinc/26/29/23/953262923.db2.gz UZPDTXJCWYUKJO-MELADBBJSA-N -1 3 384.444 0.214 20 0 GCADHM CC1(C)CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571243115 953263159 /nfs/dbraw/zinc/26/31/59/953263159.db2.gz WQCRSKOHGHNYPB-FZMZJTMJSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571243115 953263163 /nfs/dbraw/zinc/26/31/63/953263163.db2.gz WQCRSKOHGHNYPB-FZMZJTMJSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571243124 953263513 /nfs/dbraw/zinc/26/35/13/953263513.db2.gz WSNIGDODJDQAAQ-GXTWGEPZSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571243124 953263515 /nfs/dbraw/zinc/26/35/15/953263515.db2.gz WSNIGDODJDQAAQ-GXTWGEPZSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571243213 953264297 /nfs/dbraw/zinc/26/42/97/953264297.db2.gz ZNRQEUJXKJMJSK-VHDGCEQUSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571243213 953264300 /nfs/dbraw/zinc/26/43/00/953264300.db2.gz ZNRQEUJXKJMJSK-VHDGCEQUSA-N -1 3 384.444 0.579 20 0 GCADHM CN(Cc1nncn1C)C[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571244951 953268831 /nfs/dbraw/zinc/26/88/31/953268831.db2.gz AYCCSHMJTKIDHY-GFCCVEGCSA-N -1 3 384.448 0.450 20 0 GCADHM CN(Cc1nncn1C)C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571244951 953268835 /nfs/dbraw/zinc/26/88/35/953268835.db2.gz AYCCSHMJTKIDHY-GFCCVEGCSA-N -1 3 384.448 0.450 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNCc1ncnn1C ZINC001571245460 953273879 /nfs/dbraw/zinc/27/38/79/953273879.db2.gz ITBWUOBJDXCZIZ-FZMZJTMJSA-N -1 3 384.448 0.354 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001571245971 953278757 /nfs/dbraw/zinc/27/87/57/953278757.db2.gz PQKFUDNQUPFMRR-WCQYABFASA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001571245971 953278762 /nfs/dbraw/zinc/27/87/62/953278762.db2.gz PQKFUDNQUPFMRR-WCQYABFASA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)n1ncnc1CN[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001571245969 953278913 /nfs/dbraw/zinc/27/89/13/953278913.db2.gz PQKFUDNQUPFMRR-AAEUAGOBSA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)n1ncnc1CN[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001571245969 953278915 /nfs/dbraw/zinc/27/89/15/953278915.db2.gz PQKFUDNQUPFMRR-AAEUAGOBSA-N -1 3 384.448 0.760 20 0 GCADHM CCCn1ncnc1CN[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571246036 953279069 /nfs/dbraw/zinc/27/90/69/953279069.db2.gz RCTMOEBVPOGBIA-RYUDHWBXSA-N -1 3 384.448 0.589 20 0 GCADHM C[C@H](c1nncn1C)N(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571246045 953279366 /nfs/dbraw/zinc/27/93/66/953279366.db2.gz RGKBKFCJLRCONX-LLVKDONJSA-N -1 3 384.448 0.621 20 0 GCADHM CCn1ncc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1 ZINC001571246246 953281568 /nfs/dbraw/zinc/28/15/68/953281568.db2.gz WVIOFVOTQKXOGG-YPMHNXCESA-N -1 3 384.448 0.589 20 0 GCADHM CCn1ncc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1 ZINC001571246246 953281571 /nfs/dbraw/zinc/28/15/71/953281571.db2.gz WVIOFVOTQKXOGG-YPMHNXCESA-N -1 3 384.448 0.589 20 0 GCADHM CC(C)c1nnc(CN2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)[nH]1 ZINC001571246364 953282508 /nfs/dbraw/zinc/28/25/08/953282508.db2.gz ZDEUKJXUISUYCD-UHFFFAOYSA-N -1 3 384.448 0.784 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571247596 953284027 /nfs/dbraw/zinc/28/40/27/953284027.db2.gz ASMPQKSTKHXLOB-XCCSTKFXSA-N -1 3 384.444 0.613 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571247596 953284033 /nfs/dbraw/zinc/28/40/33/953284033.db2.gz ASMPQKSTKHXLOB-XCCSTKFXSA-N -1 3 384.444 0.613 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001571247695 953285497 /nfs/dbraw/zinc/28/54/97/953285497.db2.gz BMZKTMDYIBLVDQ-ZDUSSCGKSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001571247695 953285501 /nfs/dbraw/zinc/28/55/01/953285501.db2.gz BMZKTMDYIBLVDQ-ZDUSSCGKSA-N -1 3 384.444 0.723 20 0 GCADHM Cc1nc(N2CCC(NC(=O)[C@H]3CCCC(=O)N3)CC2)ccc1-c1nnn[n-]1 ZINC001571248533 953294122 /nfs/dbraw/zinc/29/41/22/953294122.db2.gz FYPSMJNLELCVAW-CQSZACIVSA-N -1 3 384.444 0.324 20 0 GCADHM Cc1nc(N2CCC(NC(=O)[C@H]3CCCC(=O)N3)CC2)ccc1-c1nn[n-]n1 ZINC001571248533 953294124 /nfs/dbraw/zinc/29/41/24/953294124.db2.gz FYPSMJNLELCVAW-CQSZACIVSA-N -1 3 384.444 0.324 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2)n1 ZINC001571248547 953294137 /nfs/dbraw/zinc/29/41/37/953294137.db2.gz GIAQXUBUIAAGOY-JSGCOSHPSA-N -1 3 384.444 0.642 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2)n1 ZINC001571248547 953294140 /nfs/dbraw/zinc/29/41/40/953294140.db2.gz GIAQXUBUIAAGOY-JSGCOSHPSA-N -1 3 384.444 0.642 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)ccc1-c1nnn[n-]1 ZINC001571248866 953297674 /nfs/dbraw/zinc/29/76/74/953297674.db2.gz KRLFAVPDYYERQM-OCCSQVGLSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)ccc1-c1nn[n-]n1 ZINC001571248866 953297679 /nfs/dbraw/zinc/29/76/79/953297679.db2.gz KRLFAVPDYYERQM-OCCSQVGLSA-N -1 3 384.444 0.276 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571248835 953297878 /nfs/dbraw/zinc/29/78/78/953297878.db2.gz JVGDSPCEJOCQOR-NEPJUHHUSA-N -1 3 384.444 0.248 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571248835 953297882 /nfs/dbraw/zinc/29/78/82/953297882.db2.gz JVGDSPCEJOCQOR-NEPJUHHUSA-N -1 3 384.444 0.248 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(C)C3)C2)ccc1-c1nnn[n-]1 ZINC001571248890 953298886 /nfs/dbraw/zinc/29/88/86/953298886.db2.gz LGJCIWWIADRLQS-CHWSQXEVSA-N -1 3 384.444 0.133 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(C)C3)C2)ccc1-c1nn[n-]n1 ZINC001571248890 953298890 /nfs/dbraw/zinc/29/88/90/953298890.db2.gz LGJCIWWIADRLQS-CHWSQXEVSA-N -1 3 384.444 0.133 20 0 GCADHM O=C(CN1CCCCCC1=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571250296 953309818 /nfs/dbraw/zinc/30/98/18/953309818.db2.gz QIAIYBYUUTZZST-CYBMUJFWSA-N -1 3 384.444 0.359 20 0 GCADHM O=C(CN1CCCCCC1=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571250296 953309822 /nfs/dbraw/zinc/30/98/22/953309822.db2.gz QIAIYBYUUTZZST-CYBMUJFWSA-N -1 3 384.444 0.359 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)n1 ZINC001571250293 953310571 /nfs/dbraw/zinc/31/05/71/953310571.db2.gz QGXUQRQVZVUGTF-OTTFEQOBSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)n1 ZINC001571250293 953310575 /nfs/dbraw/zinc/31/05/75/953310575.db2.gz QGXUQRQVZVUGTF-OTTFEQOBSA-N -1 3 384.444 0.546 20 0 GCADHM CS(=O)(=O)C[C@@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571250857 953313201 /nfs/dbraw/zinc/31/32/01/953313201.db2.gz UINWEFWMDFSUBS-SNVBAGLBSA-N -1 3 384.487 0.894 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571251723 953318458 /nfs/dbraw/zinc/31/84/58/953318458.db2.gz VKHCEPJYZMGEER-TZMCWYRMSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571251723 953318461 /nfs/dbraw/zinc/31/84/61/953318461.db2.gz VKHCEPJYZMGEER-TZMCWYRMSA-N -1 3 384.444 0.723 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571251697 953318479 /nfs/dbraw/zinc/31/84/79/953318479.db2.gz UJQAAJXQKXYKEP-ORHYLEIMSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571251697 953318482 /nfs/dbraw/zinc/31/84/82/953318482.db2.gz UJQAAJXQKXYKEP-ORHYLEIMSA-N -1 3 384.444 0.546 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O)c1cc[nH]c1 ZINC001571254272 953337133 /nfs/dbraw/zinc/33/71/33/953337133.db2.gz FGWIYBVJTRXATE-HZPDHXFCSA-N -1 3 385.403 0.699 20 0 GCADHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1Br)C(=O)NCCF ZINC001571254621 953339989 /nfs/dbraw/zinc/33/99/89/953339989.db2.gz FHGNMVSFSYPVGJ-SSDOTTSWSA-N -1 3 385.197 0.833 20 0 GCADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1Br)C(=O)NCCF ZINC001571254621 953339992 /nfs/dbraw/zinc/33/99/92/953339992.db2.gz FHGNMVSFSYPVGJ-SSDOTTSWSA-N -1 3 385.197 0.833 20 0 GCADHM Cc1coc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)c1 ZINC001571254720 953341767 /nfs/dbraw/zinc/34/17/67/953341767.db2.gz BYCSSJNFOHBDIF-DGCLKSJQSA-N -1 3 385.384 0.102 20 0 GCADHM Cc1coc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)c1 ZINC001571254720 953341774 /nfs/dbraw/zinc/34/17/74/953341774.db2.gz BYCSSJNFOHBDIF-DGCLKSJQSA-N -1 3 385.384 0.102 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)c1cnn(C)c1 ZINC001571254852 953342574 /nfs/dbraw/zinc/34/25/74/953342574.db2.gz KWXADUQDZMEQBP-GXFFZTMASA-N -1 3 385.407 0.633 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1cnn(C)c1 ZINC001571254852 953342576 /nfs/dbraw/zinc/34/25/76/953342576.db2.gz KWXADUQDZMEQBP-GXFFZTMASA-N -1 3 385.407 0.633 20 0 GCADHM C[C@H](NC(=O)c1cnn(C)n1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571254858 953342960 /nfs/dbraw/zinc/34/29/60/953342960.db2.gz LOZYXAQVKPNETI-JTQLQIEISA-N -1 3 385.407 0.385 20 0 GCADHM C[C@H]1CN(C(=O)c2cnon2)CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571254932 953343950 /nfs/dbraw/zinc/34/39/50/953343950.db2.gz CWDPLJNAPPMCSA-VHSXEESVSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H]1CN(C(=O)c2cnon2)CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571254932 953343952 /nfs/dbraw/zinc/34/39/52/953343952.db2.gz CWDPLJNAPPMCSA-VHSXEESVSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1cnn(C)c1 ZINC001571255360 953347947 /nfs/dbraw/zinc/34/79/47/953347947.db2.gz OAWFTBHOCMTXOH-QMTHXVAHSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1cnn(C)c1 ZINC001571255360 953347952 /nfs/dbraw/zinc/34/79/52/953347952.db2.gz OAWFTBHOCMTXOH-QMTHXVAHSA-N -1 3 385.407 0.778 20 0 GCADHM O=C(NC[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1cn[nH]c(=O)c1 ZINC001571255525 953350872 /nfs/dbraw/zinc/35/08/72/953350872.db2.gz MTYMODZMEIGIKM-JLIMDTESSA-N -1 3 385.363 0.517 20 0 GCADHM O=C(NC[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1cn[nH]c(=O)c1 ZINC001571255525 953350877 /nfs/dbraw/zinc/35/08/77/953350877.db2.gz MTYMODZMEIGIKM-JLIMDTESSA-N -1 3 385.363 0.517 20 0 GCADHM C[C@@H](C(=O)N1CCN[C@@H](Cc2ccc(F)cc2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001571256154 953362868 /nfs/dbraw/zinc/36/28/68/953362868.db2.gz ZJSKDTSUDLDIEA-FZMZJTMJSA-N -1 3 385.407 0.201 20 0 GCADHM C[C@@H](C(=O)N1CCN[C@@H](Cc2ccc(F)cc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001571256154 953362876 /nfs/dbraw/zinc/36/28/76/953362876.db2.gz ZJSKDTSUDLDIEA-FZMZJTMJSA-N -1 3 385.407 0.201 20 0 GCADHM O=C([O-])c1cnc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)cn1 ZINC000514939074 953539019 /nfs/dbraw/zinc/53/90/19/953539019.db2.gz OPSDGRVHUMEKCV-UHFFFAOYSA-N -1 3 397.435 0.930 20 0 GCADHM CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1 ZINC000533186812 953567829 /nfs/dbraw/zinc/56/78/29/953567829.db2.gz DQNNWGVPCJMDNH-ZDUSSCGKSA-N -1 3 385.486 0.852 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CN1C1CC1 ZINC001589293384 953620726 /nfs/dbraw/zinc/62/07/26/953620726.db2.gz NFDPMVWVPFACEQ-RDBSUJKOSA-N -1 3 378.473 0.719 20 0 GCADHM CN(CCCNC(=O)CN1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001593750456 954400247 /nfs/dbraw/zinc/40/02/47/954400247.db2.gz UHBDEKSPENBMBS-JKSUJKDBSA-N -1 3 397.497 0.184 20 0 GCADHM O=C([O-])C1=NO[C@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC001594893264 954552376 /nfs/dbraw/zinc/55/23/76/954552376.db2.gz YYBGXXNXGSZJGS-INIZCTEOSA-N -1 3 388.424 0.358 20 0 GCADHM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC000689231845 954648169 /nfs/dbraw/zinc/64/81/69/954648169.db2.gz IFNAPFPIXWYAIC-INIZCTEOSA-N -1 3 397.497 0.397 20 0 GCADHM CN1CCN(CCCNC(=O)c2cn(CC(=O)[O-])nn2)[C@@H](c2ccccc2)C1 ZINC001593785051 954691905 /nfs/dbraw/zinc/69/19/05/954691905.db2.gz XLRSVURVSMLFLN-QGZVFWFLSA-N -1 3 386.456 0.471 20 0 GCADHM CC(C)N1CCN(c2ccc(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)cc2)CC1 ZINC000737641314 955222320 /nfs/dbraw/zinc/22/23/20/955222320.db2.gz 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/nfs/dbraw/zinc/25/20/66/530252066.db2.gz SZRNCPSMZWVLOR-UHFFFAOYSA-N -1 3 385.895 0.642 20 0 GCADHM COCCCS(=O)(=O)[N-]CC(=O)Nc1nc(CCC(=O)OC)cs1 ZINC000269508596 530241957 /nfs/dbraw/zinc/24/19/57/530241957.db2.gz CEHISZRKTZPEFV-UHFFFAOYSA-N -1 3 379.460 0.143 20 0 GCADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@H](C)CO ZINC000269519856 530242484 /nfs/dbraw/zinc/24/24/84/530242484.db2.gz HQTSCICHNOGECY-AAEUAGOBSA-N -1 3 378.491 0.970 20 0 GCADHM CC(C)Cn1cnc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccs2)c1 ZINC000269531642 530242711 /nfs/dbraw/zinc/24/27/11/530242711.db2.gz YWXWUBVKHYXNOG-UHFFFAOYSA-N -1 3 392.528 0.857 20 0 GCADHM COC[C@@H](O)CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000269572596 530243077 /nfs/dbraw/zinc/24/30/77/530243077.db2.gz UJPFDPADVDSESL-AAEUAGOBSA-N -1 3 394.490 0.349 20 0 GCADHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000269658414 530244192 /nfs/dbraw/zinc/24/41/92/530244192.db2.gz KODBKFKYEAWPEB-UHFFFAOYSA-N -1 3 398.890 0.734 20 0 GCADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCCNS(C)(=O)=O ZINC000269644037 530244376 /nfs/dbraw/zinc/24/43/76/530244376.db2.gz FPIZFOVSWKZCOV-UHFFFAOYSA-N -1 3 384.863 0.344 20 0 GCADHM CCn1cc(S(=O)(=O)[N-]CC[C@](O)(c2nccn2C)C(F)(F)F)cn1 ZINC000269658685 530244417 /nfs/dbraw/zinc/24/44/17/530244417.db2.gz AWFYYOAZHGIDDA-LBPRGKRZSA-N -1 3 381.380 0.755 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(N)=O)C(C)(C)C)c(C(=O)OC)s1 ZINC000269669959 530244605 /nfs/dbraw/zinc/24/46/05/530244605.db2.gz OWESFCXAPISTGE-SNVBAGLBSA-N -1 3 392.455 0.500 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H](C2OCCO2)C1 ZINC000269666976 530244689 /nfs/dbraw/zinc/24/46/89/530244689.db2.gz LVUSUFOQTUPVEU-GFCCVEGCSA-N -1 3 389.499 0.821 20 0 GCADHM COC(=O)CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC ZINC000269686509 530244865 /nfs/dbraw/zinc/24/48/65/530244865.db2.gz VEOKPOXIGJIUIB-UHFFFAOYSA-N -1 3 393.439 0.943 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)OC)CCC2)c(C(=O)OC)s1 ZINC000269687208 530245465 /nfs/dbraw/zinc/24/54/65/530245465.db2.gz HYOMEPKAUBUQQM-UHFFFAOYSA-N -1 3 391.423 0.695 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)C1 ZINC000269702382 530245673 /nfs/dbraw/zinc/24/56/73/530245673.db2.gz QFRLNHANAITJEO-LBPRGKRZSA-N -1 3 391.515 0.993 20 0 GCADHM CNC(=O)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000269731217 530246516 /nfs/dbraw/zinc/24/65/16/530246516.db2.gz JINKTUDFOVELMH-UHFFFAOYSA-N -1 3 381.451 0.390 20 0 GCADHM COc1ccc(C[C@@H](CO)C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)cc1O ZINC000269739652 530246859 /nfs/dbraw/zinc/24/68/59/530246859.db2.gz DTSYMERFQPIWFK-LLVKDONJSA-N -1 3 389.861 0.917 20 0 GCADHM C[C@@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000269740493 530246970 /nfs/dbraw/zinc/24/69/70/530246970.db2.gz DVXDLTFYBSAXCV-VIFPVBQESA-N -1 3 390.405 0.576 20 0 GCADHM C[C@H](CCO)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br ZINC000269756804 530247722 /nfs/dbraw/zinc/24/77/22/530247722.db2.gz ISYJSMKSVJTBQX-MRVPVSSYSA-N -1 3 386.289 0.902 20 0 GCADHM COC(=O)c1csc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c1 ZINC000537021073 530248484 /nfs/dbraw/zinc/24/84/84/530248484.db2.gz BQRCLOUWSYGFNB-GHMZBOCLSA-N -1 3 376.456 0.449 20 0 GCADHM COC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(C)C ZINC000531058818 530249018 /nfs/dbraw/zinc/24/90/18/530249018.db2.gz OBAXOLSBKHNDKT-ZDUSSCGKSA-N -1 3 391.515 0.450 20 0 GCADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000269778261 530249064 /nfs/dbraw/zinc/24/90/64/530249064.db2.gz HREWWMXSQSIUJX-ONGXEEELSA-N -1 3 376.818 0.438 20 0 GCADHM COC(=O)CC1([N-]S(=O)(=O)c2ccsc2C(=O)OC)CCOCC1 ZINC000269799406 530250055 /nfs/dbraw/zinc/25/00/55/530250055.db2.gz LBDSYTKDCSIFFT-UHFFFAOYSA-N -1 3 377.440 0.925 20 0 GCADHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000269803645 530250161 /nfs/dbraw/zinc/25/01/61/530250161.db2.gz SSPCQUFRQBEGHL-CHWSQXEVSA-N -1 3 378.397 0.860 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@H](CO)c1c(F)cccc1F ZINC000269803646 530250201 /nfs/dbraw/zinc/25/02/01/530250201.db2.gz SSPCQUFRQBEGHL-OLZOCXBDSA-N -1 3 378.397 0.860 20 0 GCADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CC(=O)N(C(C)C)C2=O)s1 ZINC000267118823 530208627 /nfs/dbraw/zinc/20/86/27/530208627.db2.gz CYSDJXBAEIZYHA-LBPRGKRZSA-N -1 3 387.483 0.241 20 0 GCADHM C[C@@H]1[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCS1(=O)=O ZINC000625521173 530209263 /nfs/dbraw/zinc/20/92/63/530209263.db2.gz KUPOPHYYPYOWNU-PSASIEDQSA-N -1 3 396.874 0.058 20 0 GCADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)[C@@H]2C)s1 ZINC000625521403 530209309 /nfs/dbraw/zinc/20/93/09/530209309.db2.gz XJGSSHIHBDCWSB-FXPVBKGRSA-N -1 3 380.513 0.799 20 0 GCADHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000267154203 530209449 /nfs/dbraw/zinc/20/94/49/530209449.db2.gz QPOJJMRAZLOABU-UHFFFAOYSA-N -1 3 378.472 0.373 20 0 GCADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C[C@@H](C)N2CCN(C)CC2)s1 ZINC000267175873 530209736 /nfs/dbraw/zinc/20/97/36/530209736.db2.gz JIVKHHYGBJVBKY-LLVKDONJSA-N -1 3 391.515 0.458 20 0 GCADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCC(=O)C(C)(C)C)s1 ZINC000536466678 530250579 /nfs/dbraw/zinc/25/05/79/530250579.db2.gz IHKRGCFNXCSFKV-UHFFFAOYSA-N -1 3 389.499 0.394 20 0 GCADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000267410241 530212071 /nfs/dbraw/zinc/21/20/71/530212071.db2.gz UWFVXCYTMMFYTM-CQSZACIVSA-N -1 3 387.527 0.597 20 0 GCADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H](CO)C2)cc1F ZINC000269816351 530250646 /nfs/dbraw/zinc/25/06/46/530250646.db2.gz NCFMADNSLWNRJL-LLVKDONJSA-N -1 3 396.462 0.358 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCN(S(C)(=O)=O)C2)oc1C ZINC000267483216 530212792 /nfs/dbraw/zinc/21/27/92/530212792.db2.gz ARUWFFBNTRVVPY-SNVBAGLBSA-N -1 3 380.444 0.077 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2=O)oc1C ZINC000267495909 530212962 /nfs/dbraw/zinc/21/29/62/530212962.db2.gz FPCNFVHEJGCFAW-SECBINFHSA-N -1 3 384.332 0.816 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-]CCS(=O)(=O)NCC2CCC2)oc1C ZINC000267523631 530213100 /nfs/dbraw/zinc/21/31/00/530213100.db2.gz OONRZODCVBRUBD-UHFFFAOYSA-N -1 3 394.471 0.372 20 0 GCADHM NC(=O)C1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCC1 ZINC000558725906 530213540 /nfs/dbraw/zinc/21/35/40/530213540.db2.gz YYMPDDITMKQIPH-UHFFFAOYSA-N -1 3 377.825 0.529 20 0 GCADHM CN1C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1=O ZINC000558699943 530213547 /nfs/dbraw/zinc/21/35/47/530213547.db2.gz KXTDAQQSADLADR-JTQLQIEISA-N -1 3 392.840 0.287 20 0 GCADHM CS(=O)(=O)CCS(=O)(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000267553493 530213585 /nfs/dbraw/zinc/21/35/85/530213585.db2.gz YLZNFQOQCWICJT-GFCCVEGCSA-N -1 3 380.875 0.409 20 0 GCADHM COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000558759905 530213988 /nfs/dbraw/zinc/21/39/88/530213988.db2.gz MBRSWYQASSFVAI-MRVPVSSYSA-N -1 3 391.389 0.690 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)c(C)o1 ZINC000267578681 530214109 /nfs/dbraw/zinc/21/41/09/530214109.db2.gz KYLYKMLHWOKAQK-LBPRGKRZSA-N -1 3 384.435 0.755 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2CC(=O)OC)c(C)o1 ZINC000267623275 530214760 /nfs/dbraw/zinc/21/47/60/530214760.db2.gz VBDASPGGTJZRIK-SNVBAGLBSA-N -1 3 376.456 0.617 20 0 GCADHM CS(=O)(=O)CC1(CNC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000267684626 530215251 /nfs/dbraw/zinc/21/52/51/530215251.db2.gz ADURTGJSPKGIQK-UHFFFAOYSA-N -1 3 378.447 0.752 20 0 GCADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2(CS(C)(=O)=O)CC2)c1 ZINC000267671428 530215384 /nfs/dbraw/zinc/21/53/84/530215384.db2.gz CQQGSEOJDCGRSG-UHFFFAOYSA-N -1 3 379.431 0.715 20 0 GCADHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000267695255 530215511 /nfs/dbraw/zinc/21/55/11/530215511.db2.gz FNDTWJWDMXNNAX-LLVKDONJSA-N -1 3 378.447 0.383 20 0 GCADHM CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000267782147 530216477 /nfs/dbraw/zinc/21/64/77/530216477.db2.gz QLNMDYTZOZTCKU-UHFFFAOYSA-N -1 3 383.289 0.947 20 0 GCADHM CC[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)C(=O)N1CCOCC1 ZINC000267815118 530216851 /nfs/dbraw/zinc/21/68/51/530216851.db2.gz GMDIRTYMRNZYHF-RYUDHWBXSA-N -1 3 389.499 0.169 20 0 GCADHM CN(Cc1nc[nH]n1)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000267940957 530218349 /nfs/dbraw/zinc/21/83/49/530218349.db2.gz ZSEFVUNVYAFIEC-UHFFFAOYSA-N -1 3 394.276 0.566 20 0 GCADHM CN(Cc1nnc[nH]1)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000267940957 530218351 /nfs/dbraw/zinc/21/83/51/530218351.db2.gz ZSEFVUNVYAFIEC-UHFFFAOYSA-N -1 3 394.276 0.566 20 0 GCADHM CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000414462256 530218613 /nfs/dbraw/zinc/21/86/13/530218613.db2.gz GVNMTIBTWNFQNG-STQMWFEESA-N -1 3 379.479 0.958 20 0 GCADHM COC[C@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)OC ZINC000558903591 530218706 /nfs/dbraw/zinc/21/87/06/530218706.db2.gz CADVZGDPIZWJLE-NSHDSACASA-N -1 3 397.856 0.718 20 0 GCADHM C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)OC1CCCC1 ZINC000267982873 530218809 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COC[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000509264900 530917312 /nfs/dbraw/zinc/91/73/12/530917312.db2.gz SCAKGULXJWWIAV-NSHDSACASA-N -1 3 377.413 0.921 20 0 GCADHM COC[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000509264899 530917322 /nfs/dbraw/zinc/91/73/22/530917322.db2.gz SCAKGULXJWWIAV-LLVKDONJSA-N -1 3 377.413 0.921 20 0 GCADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CC1CCC1)[C@H](C)CO ZINC000509251375 530917377 /nfs/dbraw/zinc/91/73/77/530917377.db2.gz ZUUKAAMOJGQQEL-GFCCVEGCSA-N -1 3 376.500 0.766 20 0 GCADHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000509353421 530917983 /nfs/dbraw/zinc/91/79/83/530917983.db2.gz JNZQAODXCBKTNU-GHMZBOCLSA-N -1 3 388.873 0.644 20 0 GCADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCOC2)c1OC ZINC000509483865 530918294 /nfs/dbraw/zinc/91/82/94/530918294.db2.gz NCTUDWZIPVKIRT-CABZTGNLSA-N -1 3 392.861 0.384 20 0 GCADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCOC2)c1OC ZINC000509483864 530918707 /nfs/dbraw/zinc/91/87/07/530918707.db2.gz NCTUDWZIPVKIRT-BXKDBHETSA-N -1 3 392.861 0.384 20 0 GCADHM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](CC(=O)OC)c1cccs1 ZINC000610678976 530919195 /nfs/dbraw/zinc/91/91/95/530919195.db2.gz LRJBJMUATZOECR-JTQLQIEISA-N -1 3 384.501 0.211 20 0 GCADHM COC1(CNC(=O)C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)CCC1 ZINC000509535589 530919171 /nfs/dbraw/zinc/91/91/71/530919171.db2.gz FOFNQNDCRYPDGT-UHFFFAOYSA-N -1 3 389.499 0.348 20 0 GCADHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000509632121 530919987 /nfs/dbraw/zinc/91/99/87/530919987.db2.gz HOAHLYUEDJVECO-UWVGGRQHSA-N -1 3 396.437 0.183 20 0 GCADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2C(=O)NCC[C@@H]2C)c1OC ZINC000509713751 530920230 /nfs/dbraw/zinc/92/02/30/530920230.db2.gz QJLVXPYOCIAFFJ-QPUJVOFHSA-N -1 3 389.861 0.511 20 0 GCADHM NC(=O)CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000624138825 530920743 /nfs/dbraw/zinc/92/07/43/530920743.db2.gz DUAHJFKWSMMGOD-UHFFFAOYSA-N -1 3 379.891 0.936 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCNc1ncccn1 ZINC000624142591 530920815 /nfs/dbraw/zinc/92/08/15/530920815.db2.gz SPAAHCVNCQYGOA-UHFFFAOYSA-N -1 3 375.863 0.698 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1nc(CO)cs1 ZINC000509735667 530921234 /nfs/dbraw/zinc/92/12/34/530921234.db2.gz OIEYQDRBNXEQDS-UHFFFAOYSA-N -1 3 391.496 0.364 20 0 GCADHM CCN1CCO[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000509985380 530922853 /nfs/dbraw/zinc/92/28/53/530922853.db2.gz LFWPGOKOOZQXGO-ZDUSSCGKSA-N -1 3 393.868 0.594 20 0 GCADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCCOCCO)c1OC ZINC000509971895 530923029 /nfs/dbraw/zinc/92/30/29/530923029.db2.gz AVSHGAQMEIOIGB-UHFFFAOYSA-N -1 3 380.850 0.386 20 0 GCADHM CCN(CCO)CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000509952280 530923084 /nfs/dbraw/zinc/92/30/84/530923084.db2.gz COULAFGJCAMJRF-UHFFFAOYSA-N -1 3 393.893 0.301 20 0 GCADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC[C@H](O)COC)c1OC ZINC000510026466 530923533 /nfs/dbraw/zinc/92/35/33/530923533.db2.gz AXHCOLGZFFEEDZ-JTQLQIEISA-N -1 3 380.850 0.384 20 0 GCADHM Cc1nnc2n1CCN(S(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)C2 ZINC000669628091 530925062 /nfs/dbraw/zinc/92/50/62/530925062.db2.gz SSQBTSRJADWNEY-UHFFFAOYSA-N -1 3 380.821 0.625 20 0 GCADHM Cc1nnc2n1CCN(S(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)C2 ZINC000669628091 530925064 /nfs/dbraw/zinc/92/50/64/530925064.db2.gz SSQBTSRJADWNEY-UHFFFAOYSA-N -1 3 380.821 0.625 20 0 GCADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CCOC)C(=O)OC)c1 ZINC000584868315 530925532 /nfs/dbraw/zinc/92/55/32/530925532.db2.gz YPBZWWFLTLKCJI-CYBMUJFWSA-N -1 3 377.390 0.859 20 0 GCADHM CC[C@@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000510336948 530925786 /nfs/dbraw/zinc/92/57/86/530925786.db2.gz YUVZLIUKTQHVQP-ZWNOBZJWSA-N -1 3 377.488 0.961 20 0 GCADHM CC[C@H](C)[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000510336946 530926063 /nfs/dbraw/zinc/92/60/63/530926063.db2.gz YUVZLIUKTQHVQP-GXFFZTMASA-N -1 3 377.488 0.961 20 0 GCADHM CCN(C[C@H](C)O)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000510393373 530926509 /nfs/dbraw/zinc/92/65/09/530926509.db2.gz GLISBYRXCMTUDD-NSHDSACASA-N -1 3 380.488 0.848 20 0 GCADHM CC[C@@H](C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(CS(N)(=O)=O)c1 ZINC000510442025 530927413 /nfs/dbraw/zinc/92/74/13/530927413.db2.gz HPTSYPKTDBAUOW-MFKMUULPSA-N -1 3 377.488 0.378 20 0 GCADHM O=S(=O)(NCc1nnnn1C1CC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000669629467 530928178 /nfs/dbraw/zinc/92/81/78/530928178.db2.gz IXNQUKQQVUJKJU-UHFFFAOYSA-N -1 3 381.809 0.320 20 0 GCADHM O=S(=O)(NCc1nnnn1C1CC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000669629467 530928181 /nfs/dbraw/zinc/92/81/81/530928181.db2.gz IXNQUKQQVUJKJU-UHFFFAOYSA-N -1 3 381.809 0.320 20 0 GCADHM COC(=O)[C@H](Cc1ccncc1)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000517203773 530958680 /nfs/dbraw/zinc/95/86/80/530958680.db2.gz CDSDUDPMXUZHNF-LBPRGKRZSA-N -1 3 383.451 0.322 20 0 GCADHM CN1CCN(CCCS(=O)(=O)[N-][C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000632130509 530960595 /nfs/dbraw/zinc/96/05/95/530960595.db2.gz NESRIDIIUUPDSQ-HNNXBMFYSA-N -1 3 387.527 0.072 20 0 GCADHM Cc1nc(S(=O)(=O)[N-]CCC(=O)Nc2cccc([S@](C)=O)c2)cn1C ZINC000517673302 530962328 /nfs/dbraw/zinc/96/23/28/530962328.db2.gz PPGVDZITBPCJEB-DEOSSOPVSA-N -1 3 384.483 0.773 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1ccccc1F)NC[C@H]1CCCCS1(=O)=O ZINC000520904676 530963279 /nfs/dbraw/zinc/96/32/79/530963279.db2.gz PKTZRVVPCAUCNU-LLVKDONJSA-N -1 3 378.447 0.188 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)NC[C@H]1COCCN1 ZINC000627028494 530964245 /nfs/dbraw/zinc/96/42/45/530964245.db2.gz JZIDKUCXROCIBP-NSHDSACASA-N -1 3 394.856 0.045 20 0 GCADHM Cn1cc(-c2nn(C)cc2NC(=O)C[N-]S(=O)(=O)c2cccs2)cn1 ZINC000521169858 530964519 /nfs/dbraw/zinc/96/45/19/530964519.db2.gz OLCNUZOVSUOMMF-UHFFFAOYSA-N -1 3 380.455 0.799 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000125033301 530937776 /nfs/dbraw/zinc/93/77/76/530937776.db2.gz VRELKHMAODKXAE-LLVKDONJSA-N -1 3 384.458 0.956 20 0 GCADHM COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)[N-]Cc1nn(C)cc1Br ZINC000393341631 530940012 /nfs/dbraw/zinc/94/00/12/530940012.db2.gz YSPYRUUNYPMRES-KCJUWKMLSA-N -1 3 380.264 0.944 20 0 GCADHM CCOCCOCC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511916384 530940138 /nfs/dbraw/zinc/94/01/38/530940138.db2.gz BKECHTOVCHCUKH-UHFFFAOYSA-N -1 3 382.841 0.927 20 0 GCADHM COCCCOCC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000511946514 530940715 /nfs/dbraw/zinc/94/07/15/530940715.db2.gz IPAKNJXULGYRTL-UHFFFAOYSA-N -1 3 382.841 0.927 20 0 GCADHM C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)N(C)C ZINC000511917803 530940928 /nfs/dbraw/zinc/94/09/28/530940928.db2.gz KEGTTWHMSWOBFV-VIFPVBQESA-N -1 3 394.856 0.533 20 0 GCADHM NC(=O)C[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccccc1 ZINC000512279845 530942232 /nfs/dbraw/zinc/94/22/32/530942232.db2.gz NKJWYTRIJYJKEF-LLVKDONJSA-N -1 3 395.213 0.444 20 0 GCADHM CCC(=O)N1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CC)c(F)c2)C1 ZINC000425199955 530943220 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COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000521256177 530965242 /nfs/dbraw/zinc/96/52/42/530965242.db2.gz MSWUWUWAFSCLED-SNVBAGLBSA-N -1 3 396.874 0.439 20 0 GCADHM CS(=O)(=O)[N-]c1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)ccc1F ZINC000513763954 530950633 /nfs/dbraw/zinc/95/06/33/530950633.db2.gz GQRVIARXHKIDLY-UHFFFAOYSA-N -1 3 393.462 0.351 20 0 GCADHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C2([C@@H](C)O)CC2)s1 ZINC000660048034 530953388 /nfs/dbraw/zinc/95/33/88/530953388.db2.gz IRRSWAAGBFJPIY-SNVBAGLBSA-N -1 3 382.529 0.422 20 0 GCADHM COC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000516678567 530954670 /nfs/dbraw/zinc/95/46/70/530954670.db2.gz WSCKPZISLXCGOI-AWEZNQCLSA-N -1 3 380.850 0.983 20 0 GCADHM CN(C)S(=O)(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000516678034 530955103 /nfs/dbraw/zinc/95/51/03/530955103.db2.gz BGWFJKNMILSTFC-LBPRGKRZSA-N -1 3 396.922 0.674 20 0 GCADHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)ccc1F ZINC000626560326 530955629 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COCCS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737013032 598823297 /nfs/dbraw/zinc/82/32/97/598823297.db2.gz DUDIDMSRYHGXFZ-UHFFFAOYSA-N -1 3 388.409 0.934 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736040785 598823893 /nfs/dbraw/zinc/82/38/93/598823893.db2.gz RKVYFPIGMZOONZ-BXUZGUMPSA-N -1 3 378.458 0.385 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000736037441 598823904 /nfs/dbraw/zinc/82/39/04/598823904.db2.gz GXSJBZFPNCGRQW-FZMZJTMJSA-N -1 3 381.458 0.819 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000736037441 598823905 /nfs/dbraw/zinc/82/39/05/598823905.db2.gz GXSJBZFPNCGRQW-FZMZJTMJSA-N -1 3 381.458 0.819 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@@H](OC)C(F)(F)F ZINC000737023567 598824254 /nfs/dbraw/zinc/82/42/54/598824254.db2.gz NCJFFXRBAUAWMV-LLVKDONJSA-N -1 3 375.307 0.948 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@H](OC)C(F)(F)F ZINC000737023567 598824255 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GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736881190 598827634 /nfs/dbraw/zinc/82/76/34/598827634.db2.gz AOMULCFEFXKPLO-CYBMUJFWSA-N -1 3 396.498 0.499 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)NC(=O)NCC(C)C ZINC000737520108 598825999 /nfs/dbraw/zinc/82/59/99/598825999.db2.gz AKZUMGPRLNVGSG-UHFFFAOYSA-N -1 3 383.416 0.915 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)NC(=O)NCC(C)C ZINC000737520108 598826001 /nfs/dbraw/zinc/82/60/01/598826001.db2.gz AKZUMGPRLNVGSG-UHFFFAOYSA-N -1 3 383.416 0.915 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736881592 598827365 /nfs/dbraw/zinc/82/73/65/598827365.db2.gz DWAFEZWBKYOBAF-SMDDNHRTSA-N -1 3 394.457 0.174 20 0 GCADHM Cc1cc(CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)[nH]n1 ZINC000737264454 598828143 /nfs/dbraw/zinc/82/81/43/598828143.db2.gz MHOQLZVXVUMBHS-UHFFFAOYSA-N -1 3 380.416 0.807 20 0 GCADHM Cc1cc(CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)[nH]n1 ZINC000737264454 598828145 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GCADHM COCCN(CCC(=O)OC)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736994931 598836287 /nfs/dbraw/zinc/83/62/87/598836287.db2.gz NXAKGFYYIJZOTD-UHFFFAOYSA-N -1 3 383.430 0.208 20 0 GCADHM COCCN(CCC(=O)OC)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736994931 598836288 /nfs/dbraw/zinc/83/62/88/598836288.db2.gz NXAKGFYYIJZOTD-UHFFFAOYSA-N -1 3 383.430 0.208 20 0 GCADHM CC(C)(C)S(=O)(=O)CCNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735643393 598838547 /nfs/dbraw/zinc/83/85/47/598838547.db2.gz NUAPMIVQAPMKQY-UHFFFAOYSA-N -1 3 396.477 0.186 20 0 GCADHM CC(C)(C)S(=O)(=O)CCNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735643393 598838548 /nfs/dbraw/zinc/83/85/48/598838548.db2.gz NUAPMIVQAPMKQY-UHFFFAOYSA-N -1 3 396.477 0.186 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736881633 598839093 /nfs/dbraw/zinc/83/90/93/598839093.db2.gz FYUBXURRPHEUSN-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736881633 598839095 /nfs/dbraw/zinc/83/90/95/598839095.db2.gz FYUBXURRPHEUSN-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CC(C)(C)S(=O)(=O)CCNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735644123 598839592 /nfs/dbraw/zinc/83/95/92/598839592.db2.gz VUMOYUXYZVFSQQ-UHFFFAOYSA-N -1 3 396.477 0.186 20 0 GCADHM CC(C)(C)S(=O)(=O)CCNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735644123 598839594 /nfs/dbraw/zinc/83/95/94/598839594.db2.gz VUMOYUXYZVFSQQ-UHFFFAOYSA-N -1 3 396.477 0.186 20 0 GCADHM CC(C)CCOCCOC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735820173 598840778 /nfs/dbraw/zinc/84/07/78/598840778.db2.gz PNXAACBIOMSLGU-UHFFFAOYSA-N -1 3 397.457 0.751 20 0 GCADHM CC(C)CCOCCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735820173 598840779 /nfs/dbraw/zinc/84/07/79/598840779.db2.gz PNXAACBIOMSLGU-UHFFFAOYSA-N -1 3 397.457 0.751 20 0 GCADHM CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736844939 598841562 /nfs/dbraw/zinc/84/15/62/598841562.db2.gz ZDPSXNXPNWSXDV-UHFFFAOYSA-N -1 3 376.373 0.930 20 0 GCADHM CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736844939 598841563 /nfs/dbraw/zinc/84/15/63/598841563.db2.gz ZDPSXNXPNWSXDV-UHFFFAOYSA-N -1 3 376.373 0.930 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736291946 598846438 /nfs/dbraw/zinc/84/64/38/598846438.db2.gz DXQNIFXVTJCNMA-QMMMGPOBSA-N -1 3 398.832 0.104 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736291946 598846439 /nfs/dbraw/zinc/84/64/39/598846439.db2.gz DXQNIFXVTJCNMA-QMMMGPOBSA-N -1 3 398.832 0.104 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1ccnc(N2CCCCC2)n1 ZINC000738083232 598847528 /nfs/dbraw/zinc/84/75/28/598847528.db2.gz RPWMLIHWDPQDKA-UHFFFAOYSA-N -1 3 394.443 0.884 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1ccnc(N2CCCCC2)n1 ZINC000738083232 598847529 /nfs/dbraw/zinc/84/75/29/598847529.db2.gz RPWMLIHWDPQDKA-UHFFFAOYSA-N -1 3 394.443 0.884 20 0 GCADHM C[C@@H](OC(=O)COC[C@H]1CCCO1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736156503 598848999 /nfs/dbraw/zinc/84/89/99/598848999.db2.gz WUBCZDNNTVBZQE-VXGBXAGGSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@@H](OC(=O)COC[C@H]1CCCO1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736156503 598849001 /nfs/dbraw/zinc/84/90/01/598849001.db2.gz WUBCZDNNTVBZQE-VXGBXAGGSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@H](OC(=O)COC[C@@H]1CCCO1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736155443 598849184 /nfs/dbraw/zinc/84/91/84/598849184.db2.gz NRLSCOGKWVCXMG-FZMZJTMJSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@H](OC(=O)COC[C@@H]1CCCO1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736155443 598849186 /nfs/dbraw/zinc/84/91/86/598849186.db2.gz NRLSCOGKWVCXMG-FZMZJTMJSA-N -1 3 375.385 0.933 20 0 GCADHM O=C(COC(=O)COC[C@H]1CCCO1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737903833 598849786 /nfs/dbraw/zinc/84/97/86/598849786.db2.gz CEISOJILPKWZJW-CQSZACIVSA-N -1 3 375.385 0.222 20 0 GCADHM O=C(COC(=O)COC[C@H]1CCCO1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737903833 598849787 /nfs/dbraw/zinc/84/97/87/598849787.db2.gz CEISOJILPKWZJW-CQSZACIVSA-N -1 3 375.385 0.222 20 0 GCADHM O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738301042 598850374 /nfs/dbraw/zinc/85/03/74/598850374.db2.gz IKWUQWQGAFRISA-LBPRGKRZSA-N -1 3 377.364 0.719 20 0 GCADHM O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738301042 598850376 /nfs/dbraw/zinc/85/03/76/598850376.db2.gz IKWUQWQGAFRISA-LBPRGKRZSA-N -1 3 377.364 0.719 20 0 GCADHM COC(=O)[C@@H]1CN(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000736912882 598851139 /nfs/dbraw/zinc/85/11/39/598851139.db2.gz SLGFRHNLHSZBNK-AWEZNQCLSA-N -1 3 384.400 0.265 20 0 GCADHM COC(=O)[C@@H]1CN(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000736912882 598851140 /nfs/dbraw/zinc/85/11/40/598851140.db2.gz SLGFRHNLHSZBNK-AWEZNQCLSA-N -1 3 384.400 0.265 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCN(C(=O)N(C)C)CC1 ZINC000737524559 598851838 /nfs/dbraw/zinc/85/18/38/598851838.db2.gz NCMYJXITVIHGQO-UHFFFAOYSA-N -1 3 396.459 0.690 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCN(C(=O)N(C)C)CC1 ZINC000737524559 598851839 /nfs/dbraw/zinc/85/18/39/598851839.db2.gz NCMYJXITVIHGQO-UHFFFAOYSA-N -1 3 396.459 0.690 20 0 GCADHM CN(Cc1ccon1)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736829443 598852893 /nfs/dbraw/zinc/85/28/93/598852893.db2.gz DKBFYRJRTZQZAV-QGZVFWFLSA-N -1 3 382.384 0.711 20 0 GCADHM CN(Cc1ccon1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736829443 598852895 /nfs/dbraw/zinc/85/28/95/598852895.db2.gz DKBFYRJRTZQZAV-QGZVFWFLSA-N -1 3 382.384 0.711 20 0 GCADHM CC(=O)NCc1ccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735481754 598853351 /nfs/dbraw/zinc/85/33/51/598853351.db2.gz LKWUUYLYRJSKOQ-UHFFFAOYSA-N -1 3 393.407 0.758 20 0 GCADHM CC(=O)NCc1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735481754 598853353 /nfs/dbraw/zinc/85/33/53/598853353.db2.gz LKWUUYLYRJSKOQ-UHFFFAOYSA-N -1 3 393.407 0.758 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC000735572559 598853358 /nfs/dbraw/zinc/85/33/58/598853358.db2.gz XLOSSFAYAIWXFD-VHSXEESVSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC000735572559 598853360 /nfs/dbraw/zinc/85/33/60/598853360.db2.gz XLOSSFAYAIWXFD-VHSXEESVSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736039701 598853477 /nfs/dbraw/zinc/85/34/77/598853477.db2.gz KBWFUULIISFAOV-GFCCVEGCSA-N -1 3 393.473 0.131 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736039701 598853479 /nfs/dbraw/zinc/85/34/79/598853479.db2.gz KBWFUULIISFAOV-GFCCVEGCSA-N -1 3 393.473 0.131 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735572942 598855105 /nfs/dbraw/zinc/85/51/05/598855105.db2.gz ZEUZCSGKHIUEJB-BDAKNGLRSA-N -1 3 398.420 0.224 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735572942 598855106 /nfs/dbraw/zinc/85/51/06/598855106.db2.gz ZEUZCSGKHIUEJB-BDAKNGLRSA-N -1 3 398.420 0.224 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000737287663 598855586 /nfs/dbraw/zinc/85/55/86/598855586.db2.gz FWFAOHQKVPLEQL-WDEREUQCSA-N -1 3 394.457 0.394 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000737287663 598855587 /nfs/dbraw/zinc/85/55/87/598855587.db2.gz FWFAOHQKVPLEQL-WDEREUQCSA-N -1 3 394.457 0.394 20 0 GCADHM CN(C)C(=O)C1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000736748859 598855628 /nfs/dbraw/zinc/85/56/28/598855628.db2.gz YKOFJESKGGKRDE-UHFFFAOYSA-N -1 3 385.428 0.570 20 0 GCADHM CN(C)C(=O)C1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000736748859 598855629 /nfs/dbraw/zinc/85/56/29/598855629.db2.gz YKOFJESKGGKRDE-UHFFFAOYSA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2cnccn2)CC1 ZINC000736901539 598859641 /nfs/dbraw/zinc/85/96/41/598859641.db2.gz LNECSPHLYWQNSD-MRXNPFEDSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cnccn2)CC1 ZINC000736901539 598859643 /nfs/dbraw/zinc/85/96/43/598859643.db2.gz LNECSPHLYWQNSD-MRXNPFEDSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000736900075 598860394 /nfs/dbraw/zinc/86/03/94/598860394.db2.gz CJIXFZVWCHWFEZ-LSDHHAIUSA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000736900075 598860396 /nfs/dbraw/zinc/86/03/96/598860396.db2.gz CJIXFZVWCHWFEZ-LSDHHAIUSA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2cccnn2)CC1 ZINC000736900230 598860608 /nfs/dbraw/zinc/86/06/08/598860608.db2.gz DGARUBXUMDATQN-INIZCTEOSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cccnn2)CC1 ZINC000736900230 598860609 /nfs/dbraw/zinc/86/06/09/598860609.db2.gz DGARUBXUMDATQN-INIZCTEOSA-N -1 3 380.412 0.693 20 0 GCADHM C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000736102062 598862827 /nfs/dbraw/zinc/86/28/27/598862827.db2.gz QIQSVDAGWCKETA-IINYFYTJSA-N -1 3 383.412 0.986 20 0 GCADHM C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000736102062 598862829 /nfs/dbraw/zinc/86/28/29/598862829.db2.gz QIQSVDAGWCKETA-IINYFYTJSA-N -1 3 383.412 0.986 20 0 GCADHM C[C@H]1COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736291901 598862946 /nfs/dbraw/zinc/86/29/46/598862946.db2.gz DPDUIEGUZALSKX-SMDDNHRTSA-N -1 3 399.411 0.319 20 0 GCADHM C[C@H]1COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736291901 598862948 /nfs/dbraw/zinc/86/29/48/598862948.db2.gz DPDUIEGUZALSKX-SMDDNHRTSA-N -1 3 399.411 0.319 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cnn(C)c2)CC1 ZINC000736903334 598863206 /nfs/dbraw/zinc/86/32/06/598863206.db2.gz ZWJHGAUCHPUDIH-KRWDZBQOSA-N -1 3 396.455 0.632 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cnn(C)c2)CC1 ZINC000736903334 598863207 /nfs/dbraw/zinc/86/32/07/598863207.db2.gz ZWJHGAUCHPUDIH-KRWDZBQOSA-N -1 3 396.455 0.632 20 0 GCADHM CN(CC1CC1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736791664 598863283 /nfs/dbraw/zinc/86/32/83/598863283.db2.gz BYURTJDNYNCVKD-AWEZNQCLSA-N -1 3 383.412 0.940 20 0 GCADHM CN(CC1CC1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736791664 598863284 /nfs/dbraw/zinc/86/32/84/598863284.db2.gz BYURTJDNYNCVKD-AWEZNQCLSA-N -1 3 383.412 0.940 20 0 GCADHM COCCN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736988732 598863294 /nfs/dbraw/zinc/86/32/94/598863294.db2.gz RCOWGKRXDFGQCC-CYBMUJFWSA-N -1 3 387.400 0.177 20 0 GCADHM COCCN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736988732 598863295 /nfs/dbraw/zinc/86/32/95/598863295.db2.gz RCOWGKRXDFGQCC-CYBMUJFWSA-N -1 3 387.400 0.177 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000736900179 598863765 /nfs/dbraw/zinc/86/37/65/598863765.db2.gz CYFLDAWKEZDQMW-SMDDNHRTSA-N -1 3 394.457 0.081 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000736900179 598863767 /nfs/dbraw/zinc/86/37/67/598863767.db2.gz CYFLDAWKEZDQMW-SMDDNHRTSA-N -1 3 394.457 0.081 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736293151 598864532 /nfs/dbraw/zinc/86/45/32/598864532.db2.gz OHNTVGJEVSOLLL-SECBINFHSA-N -1 3 384.849 0.578 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736293151 598864534 /nfs/dbraw/zinc/86/45/34/598864534.db2.gz OHNTVGJEVSOLLL-SECBINFHSA-N -1 3 384.849 0.578 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)Nc1cnoc1 ZINC000737826749 598865081 /nfs/dbraw/zinc/86/50/81/598865081.db2.gz URBSNACOHFZGJW-GFCCVEGCSA-N -1 3 382.340 0.698 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)Nc1cnoc1 ZINC000737826749 598865082 /nfs/dbraw/zinc/86/50/82/598865082.db2.gz URBSNACOHFZGJW-GFCCVEGCSA-N -1 3 382.340 0.698 20 0 GCADHM CC(=O)NCC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735473624 598872100 /nfs/dbraw/zinc/87/21/00/598872100.db2.gz BVJUSHPNACOLKJ-UHFFFAOYSA-N -1 3 382.421 0.543 20 0 GCADHM CC(=O)NCC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735473624 598872101 /nfs/dbraw/zinc/87/21/01/598872101.db2.gz BVJUSHPNACOLKJ-UHFFFAOYSA-N -1 3 382.421 0.543 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC(C2OCCO2)CC1 ZINC000738348456 598874016 /nfs/dbraw/zinc/87/40/16/598874016.db2.gz UEDPQGKGCCCMIO-UHFFFAOYSA-N -1 3 383.405 0.779 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC(C2OCCO2)CC1 ZINC000738348456 598874018 /nfs/dbraw/zinc/87/40/18/598874018.db2.gz UEDPQGKGCCCMIO-UHFFFAOYSA-N -1 3 383.405 0.779 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1nnc2n1CCC2 ZINC000736129579 598874311 /nfs/dbraw/zinc/87/43/11/598874311.db2.gz GDMYEXRIUJGVMP-QMMMGPOBSA-N -1 3 378.393 0.583 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1nnc2n1CCC2 ZINC000736129579 598874312 /nfs/dbraw/zinc/87/43/12/598874312.db2.gz GDMYEXRIUJGVMP-QMMMGPOBSA-N -1 3 378.393 0.583 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000736905111 598875079 /nfs/dbraw/zinc/87/50/79/598875079.db2.gz AJSICGSBCNBCOK-NSHDSACASA-N -1 3 395.416 0.970 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000736905111 598875081 /nfs/dbraw/zinc/87/50/81/598875081.db2.gz AJSICGSBCNBCOK-NSHDSACASA-N -1 3 395.416 0.970 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736906444 598875503 /nfs/dbraw/zinc/87/55/03/598875503.db2.gz DYLBITDBKXLVTG-CQSZACIVSA-N -1 3 391.453 0.972 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736906444 598875504 /nfs/dbraw/zinc/87/55/04/598875504.db2.gz DYLBITDBKXLVTG-CQSZACIVSA-N -1 3 391.453 0.972 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736908531 598878514 /nfs/dbraw/zinc/87/85/14/598878514.db2.gz MBGFCNMZLVVWNO-CQSZACIVSA-N -1 3 398.423 0.398 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736908531 598878515 /nfs/dbraw/zinc/87/85/15/598878515.db2.gz MBGFCNMZLVVWNO-CQSZACIVSA-N -1 3 398.423 0.398 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000738305735 598880961 /nfs/dbraw/zinc/88/09/61/598880961.db2.gz AXQJFXUBEZMLTD-UHFFFAOYSA-N -1 3 395.354 0.755 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000738305735 598880963 /nfs/dbraw/zinc/88/09/63/598880963.db2.gz AXQJFXUBEZMLTD-UHFFFAOYSA-N -1 3 395.354 0.755 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736906524 598881365 /nfs/dbraw/zinc/88/13/65/598881365.db2.gz FZIRBECCPLUVQT-ZDUSSCGKSA-N -1 3 384.396 0.607 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736906524 598881366 /nfs/dbraw/zinc/88/13/66/598881366.db2.gz FZIRBECCPLUVQT-ZDUSSCGKSA-N -1 3 384.396 0.607 20 0 GCADHM COC[C@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736967613 598881917 /nfs/dbraw/zinc/88/19/17/598881917.db2.gz BPYZFBRNTONXMJ-GWCFXTLKSA-N -1 3 388.384 0.650 20 0 GCADHM COC[C@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736967613 598881918 /nfs/dbraw/zinc/88/19/18/598881918.db2.gz BPYZFBRNTONXMJ-GWCFXTLKSA-N -1 3 388.384 0.650 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)O[C@@H]1CCOC1 ZINC000737825654 598881976 /nfs/dbraw/zinc/88/19/76/598881976.db2.gz NNDQBBUNMLWFBX-CHWSQXEVSA-N -1 3 386.368 0.404 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)O[C@@H]1CCOC1 ZINC000737825654 598881977 /nfs/dbraw/zinc/88/19/77/598881977.db2.gz NNDQBBUNMLWFBX-CHWSQXEVSA-N -1 3 386.368 0.404 20 0 GCADHM CCc1nnc2n1C[C@@H](N[C@@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736711315 598884065 /nfs/dbraw/zinc/88/40/65/598884065.db2.gz VMNSBXHDSUAGSY-XJKSGUPXSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nnc2n1C[C@@H](N[C@@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736711315 598884066 /nfs/dbraw/zinc/88/40/66/598884066.db2.gz VMNSBXHDSUAGSY-XJKSGUPXSA-N -1 3 382.428 0.839 20 0 GCADHM COC(=O)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894772 598884568 /nfs/dbraw/zinc/88/45/68/598884568.db2.gz IHCNJDPFFDOENR-RYUDHWBXSA-N -1 3 398.345 0.834 20 0 GCADHM COC(=O)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894772 598884570 /nfs/dbraw/zinc/88/45/70/598884570.db2.gz IHCNJDPFFDOENR-RYUDHWBXSA-N -1 3 398.345 0.834 20 0 GCADHM COC(=O)[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899831 598885289 /nfs/dbraw/zinc/88/52/89/598885289.db2.gz VGWJZTMEVIJBHT-INIZCTEOSA-N -1 3 391.395 0.846 20 0 GCADHM COC(=O)[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899831 598885290 /nfs/dbraw/zinc/88/52/90/598885290.db2.gz VGWJZTMEVIJBHT-INIZCTEOSA-N -1 3 391.395 0.846 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)n1C ZINC000737523571 598887652 /nfs/dbraw/zinc/88/76/52/598887652.db2.gz VHYKENJOVYNDEH-UHFFFAOYSA-N -1 3 382.432 0.653 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)n1C ZINC000737523571 598887653 /nfs/dbraw/zinc/88/76/53/598887653.db2.gz VHYKENJOVYNDEH-UHFFFAOYSA-N -1 3 382.432 0.653 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cnn(-c2ccccn2)c1 ZINC000737889090 598892318 /nfs/dbraw/zinc/89/23/18/598892318.db2.gz JFOXSUKTOKMZAM-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cnn(-c2ccccn2)c1 ZINC000737889090 598892320 /nfs/dbraw/zinc/89/23/20/598892320.db2.gz JFOXSUKTOKMZAM-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM CC[S@](=O)CCNC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736663626 598893491 /nfs/dbraw/zinc/89/34/91/598893491.db2.gz ICDQNSPCKYVTJV-SANMLTNESA-N -1 3 381.458 0.919 20 0 GCADHM CC[S@](=O)CCNC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736663626 598893492 /nfs/dbraw/zinc/89/34/92/598893492.db2.gz ICDQNSPCKYVTJV-SANMLTNESA-N -1 3 381.458 0.919 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898232 598894942 /nfs/dbraw/zinc/89/49/42/598894942.db2.gz IYCOFKXPGDZEDQ-ZDUSSCGKSA-N -1 3 375.385 0.786 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)C(C)(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898232 598894944 /nfs/dbraw/zinc/89/49/44/598894944.db2.gz IYCOFKXPGDZEDQ-ZDUSSCGKSA-N -1 3 375.385 0.786 20 0 GCADHM NC(=O)N1CC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000737757815 598895276 /nfs/dbraw/zinc/89/52/76/598895276.db2.gz AXOVEWCXYPQDCP-NSHDSACASA-N -1 3 397.395 0.922 20 0 GCADHM NC(=O)N1CC[C@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000737757815 598895278 /nfs/dbraw/zinc/89/52/78/598895278.db2.gz AXOVEWCXYPQDCP-NSHDSACASA-N -1 3 397.395 0.922 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCCN(C(C)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897443 598896074 /nfs/dbraw/zinc/89/60/74/598896074.db2.gz MKMFZYKJQQNZCU-CABCVRRESA-N -1 3 387.396 0.883 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCCN(C(C)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897443 598896075 /nfs/dbraw/zinc/89/60/75/598896075.db2.gz MKMFZYKJQQNZCU-CABCVRRESA-N -1 3 387.396 0.883 20 0 GCADHM COC(=O)[C@H](OC(=O)CCn1ccccc1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897256 598897490 /nfs/dbraw/zinc/89/74/90/598897490.db2.gz DORJUQPNZVIGHO-MRXNPFEDSA-N -1 3 383.364 0.876 20 0 GCADHM COC(=O)[C@H](OC(=O)CCn1ccccc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897256 598897492 /nfs/dbraw/zinc/89/74/92/598897492.db2.gz DORJUQPNZVIGHO-MRXNPFEDSA-N -1 3 383.364 0.876 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000735564508 598897495 /nfs/dbraw/zinc/89/74/95/598897495.db2.gz XVGNJIRTFOXPEY-RYUDHWBXSA-N -1 3 393.473 0.194 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000735564508 598897497 /nfs/dbraw/zinc/89/74/97/598897497.db2.gz XVGNJIRTFOXPEY-RYUDHWBXSA-N -1 3 393.473 0.194 20 0 GCADHM CCCNC(=O)CCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736483507 598899925 /nfs/dbraw/zinc/89/99/25/598899925.db2.gz LWABQTDNBALHNS-OAHLLOKOSA-N -1 3 375.385 0.930 20 0 GCADHM CCCNC(=O)CCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736483507 598899926 /nfs/dbraw/zinc/89/99/26/598899926.db2.gz LWABQTDNBALHNS-OAHLLOKOSA-N -1 3 375.385 0.930 20 0 GCADHM COC(=O)[C@H](OC(=O)COC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900503 598901319 /nfs/dbraw/zinc/90/13/19/598901319.db2.gz SBPGWJJZJBKCIQ-UKRRQHHQSA-N -1 3 376.369 0.820 20 0 GCADHM COC(=O)[C@H](OC(=O)COC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900503 598901320 /nfs/dbraw/zinc/90/13/20/598901320.db2.gz SBPGWJJZJBKCIQ-UKRRQHHQSA-N -1 3 376.369 0.820 20 0 GCADHM O=C(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)Nc1sccc1-c1nnn[n-]1 ZINC000737907870 598904122 /nfs/dbraw/zinc/90/41/22/598904122.db2.gz LOQINOZQLOUVIV-PBINXNQUSA-N -1 3 391.409 0.652 20 0 GCADHM O=C(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)Nc1sccc1-c1nn[n-]n1 ZINC000737907870 598904124 /nfs/dbraw/zinc/90/41/24/598904124.db2.gz LOQINOZQLOUVIV-PBINXNQUSA-N -1 3 391.409 0.652 20 0 GCADHM COc1ncc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cn1 ZINC000737163620 598904867 /nfs/dbraw/zinc/90/48/67/598904867.db2.gz KIRYDNUWXBTORP-UHFFFAOYSA-N -1 3 384.375 0.767 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738077166 598906678 /nfs/dbraw/zinc/90/66/78/598906678.db2.gz AQFALYIIEXOJMA-SNVBAGLBSA-N -1 3 386.338 0.646 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738077166 598906679 /nfs/dbraw/zinc/90/66/79/598906679.db2.gz AQFALYIIEXOJMA-SNVBAGLBSA-N -1 3 386.338 0.646 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736912280 598912827 /nfs/dbraw/zinc/91/28/27/598912827.db2.gz PNSPKUAEOBBQTO-GFCCVEGCSA-N -1 3 377.426 0.753 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCOc2cccnc2)cc1 ZINC000737778188 598913588 /nfs/dbraw/zinc/91/35/88/598913588.db2.gz XSSZBJVBGJAHIR-UHFFFAOYSA-N -1 3 391.395 0.838 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCOc2cccnc2)cc1 ZINC000737778188 598913589 /nfs/dbraw/zinc/91/35/89/598913589.db2.gz XSSZBJVBGJAHIR-UHFFFAOYSA-N -1 3 391.395 0.838 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000736140763 598923205 /nfs/dbraw/zinc/92/32/05/598923205.db2.gz BMPQNARKANRZIK-SFHVURJKSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000736140763 598923206 /nfs/dbraw/zinc/92/32/06/598923206.db2.gz BMPQNARKANRZIK-SFHVURJKSA-N -1 3 382.428 0.881 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCN(c2nccn2C)CC1 ZINC000737023204 598924910 /nfs/dbraw/zinc/92/49/10/598924910.db2.gz HZTXFLDTECZGIU-UHFFFAOYSA-N -1 3 398.427 0.336 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(c2nccn2C)CC1 ZINC000736184843 598925271 /nfs/dbraw/zinc/92/52/71/598925271.db2.gz OCVPYPJONJABLP-ZDUSSCGKSA-N -1 3 382.428 0.716 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(c2nccn2C)CC1 ZINC000736184843 598925273 /nfs/dbraw/zinc/92/52/73/598925273.db2.gz OCVPYPJONJABLP-ZDUSSCGKSA-N -1 3 382.428 0.716 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCCn1cnnc1C ZINC000737034384 598925417 /nfs/dbraw/zinc/92/54/17/598925417.db2.gz ZYCPDYZSXYBDQF-UHFFFAOYSA-N -1 3 386.416 0.751 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCCn1cnnc1C ZINC000737034384 598925419 /nfs/dbraw/zinc/92/54/19/598925419.db2.gz ZYCPDYZSXYBDQF-UHFFFAOYSA-N -1 3 386.416 0.751 20 0 GCADHM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736912933 598929542 /nfs/dbraw/zinc/92/95/42/598929542.db2.gz JAGRVJIMUKKACB-ZDUSSCGKSA-N -1 3 389.412 0.816 20 0 GCADHM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736912933 598929544 /nfs/dbraw/zinc/92/95/44/598929544.db2.gz JAGRVJIMUKKACB-ZDUSSCGKSA-N -1 3 389.412 0.816 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737838357 598931604 /nfs/dbraw/zinc/93/16/04/598931604.db2.gz MFWQLIQSQGGFDV-UHFFFAOYSA-N -1 3 397.439 0.491 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737838357 598931605 /nfs/dbraw/zinc/93/16/05/598931605.db2.gz MFWQLIQSQGGFDV-UHFFFAOYSA-N -1 3 397.439 0.491 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000737297354 598931684 /nfs/dbraw/zinc/93/16/84/598931684.db2.gz WHUQDUSWTSLOAN-ZDUSSCGKSA-N -1 3 388.457 0.872 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000737297354 598931685 /nfs/dbraw/zinc/93/16/85/598931685.db2.gz WHUQDUSWTSLOAN-ZDUSSCGKSA-N -1 3 388.457 0.872 20 0 GCADHM C[C@H](O)C1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CC1 ZINC000736143000 598933209 /nfs/dbraw/zinc/93/32/09/598933209.db2.gz HJTKNLHOIMDVLU-BUXKBTBVSA-N -1 3 399.455 0.684 20 0 GCADHM C[C@H](O)C1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CC1 ZINC000736143000 598933211 /nfs/dbraw/zinc/93/32/11/598933211.db2.gz HJTKNLHOIMDVLU-BUXKBTBVSA-N -1 3 399.455 0.684 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736882396 598941208 /nfs/dbraw/zinc/94/12/08/598941208.db2.gz OGQJLWMYEJLHBR-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736882396 598941210 /nfs/dbraw/zinc/94/12/10/598941210.db2.gz OGQJLWMYEJLHBR-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736289276 598942561 /nfs/dbraw/zinc/94/25/61/598942561.db2.gz VMFQMPAOVCICKV-JSGCOSHPSA-N -1 3 392.895 0.756 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000736182723 598944660 /nfs/dbraw/zinc/94/46/60/598944660.db2.gz PCELJIOZKZWSBY-NEPJUHHUSA-N -1 3 379.442 0.527 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000736182723 598944661 /nfs/dbraw/zinc/94/46/61/598944661.db2.gz PCELJIOZKZWSBY-NEPJUHHUSA-N -1 3 379.442 0.527 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000737023179 598946063 /nfs/dbraw/zinc/94/60/63/598946063.db2.gz DIDRDRFQYPUXTR-LLVKDONJSA-N -1 3 395.441 0.147 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000737023179 598946064 /nfs/dbraw/zinc/94/60/64/598946064.db2.gz DIDRDRFQYPUXTR-LLVKDONJSA-N -1 3 395.441 0.147 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736793483 598946097 /nfs/dbraw/zinc/94/60/97/598946097.db2.gz XFEFWWIPDGBCLF-CYBMUJFWSA-N -1 3 395.510 0.993 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736793483 598946098 /nfs/dbraw/zinc/94/60/98/598946098.db2.gz XFEFWWIPDGBCLF-CYBMUJFWSA-N -1 3 395.510 0.993 20 0 GCADHM CN1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)CC1=O ZINC000736857955 598949973 /nfs/dbraw/zinc/94/99/73/598949973.db2.gz VFEPDIUQJAJRIU-UHFFFAOYSA-N -1 3 382.380 0.953 20 0 GCADHM CN1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)CC1=O ZINC000736857955 598949975 /nfs/dbraw/zinc/94/99/75/598949975.db2.gz VFEPDIUQJAJRIU-UHFFFAOYSA-N -1 3 382.380 0.953 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(c2cnccn2)CC1 ZINC000737297585 598950233 /nfs/dbraw/zinc/95/02/33/598950233.db2.gz CVIKEBQAGPJPIU-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(c2cnccn2)CC1 ZINC000737297585 598950234 /nfs/dbraw/zinc/95/02/34/598950234.db2.gz CVIKEBQAGPJPIU-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737162316 598953478 /nfs/dbraw/zinc/95/34/78/598953478.db2.gz OZOPEJSDUZULJQ-KGLIPLIRSA-N -1 3 378.458 0.751 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCN1CCCCC1=O ZINC000737297757 598956967 /nfs/dbraw/zinc/95/69/67/598956967.db2.gz LCDFMBUKABKCOR-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCN1CCCCC1=O ZINC000737297757 598956968 /nfs/dbraw/zinc/95/69/68/598956968.db2.gz LCDFMBUKABKCOR-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000736623658 598957753 /nfs/dbraw/zinc/95/77/53/598957753.db2.gz KMCLICQVHJFGCF-UHFFFAOYSA-N -1 3 380.474 0.518 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736623658 598957755 /nfs/dbraw/zinc/95/77/55/598957755.db2.gz KMCLICQVHJFGCF-UHFFFAOYSA-N -1 3 380.474 0.518 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000737297381 598958339 /nfs/dbraw/zinc/95/83/39/598958339.db2.gz XBBKYOWFXYNHNB-WDEREUQCSA-N -1 3 387.487 0.617 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000737297381 598958341 /nfs/dbraw/zinc/95/83/41/598958341.db2.gz XBBKYOWFXYNHNB-WDEREUQCSA-N -1 3 387.487 0.617 20 0 GCADHM CCNC(=O)COc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736575522 598962815 /nfs/dbraw/zinc/96/28/15/598962815.db2.gz GZXCBTGURLAHHR-GFCCVEGCSA-N -1 3 397.443 0.732 20 0 GCADHM CCNC(=O)COc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736575522 598962816 /nfs/dbraw/zinc/96/28/16/598962816.db2.gz GZXCBTGURLAHHR-GFCCVEGCSA-N -1 3 397.443 0.732 20 0 GCADHM COc1cc(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1O ZINC000737044802 598964785 /nfs/dbraw/zinc/96/47/85/598964785.db2.gz SVBPFUOINRLMGO-UHFFFAOYSA-N -1 3 396.407 0.670 20 0 GCADHM COc1cc(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC000737044802 598964786 /nfs/dbraw/zinc/96/47/86/598964786.db2.gz SVBPFUOINRLMGO-UHFFFAOYSA-N -1 3 396.407 0.670 20 0 GCADHM CN1CCN(C[C@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)CC1 ZINC000736863011 598967225 /nfs/dbraw/zinc/96/72/25/598967225.db2.gz HCQJAIBKNQVLNO-AWEZNQCLSA-N -1 3 395.471 0.263 20 0 GCADHM Cn1c2ccc(NC[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2n(C)c1=O ZINC000737591669 598963181 /nfs/dbraw/zinc/96/31/81/598963181.db2.gz WMENZAXGPUQFKU-JTQLQIEISA-N -1 3 380.416 0.407 20 0 GCADHM Cn1c2ccc(NC[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2n(C)c1=O ZINC000737591669 598963182 /nfs/dbraw/zinc/96/31/82/598963182.db2.gz WMENZAXGPUQFKU-JTQLQIEISA-N -1 3 380.416 0.407 20 0 GCADHM C[C@H](O)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736144968 598967702 /nfs/dbraw/zinc/96/77/02/598967702.db2.gz RTFVQUSKEBMNDK-NSHDSACASA-N -1 3 397.395 0.880 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC000735874823 598967868 /nfs/dbraw/zinc/96/78/68/598967868.db2.gz HJCVYMJJAGAIPS-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC000735874823 598967869 /nfs/dbraw/zinc/96/78/69/598967869.db2.gz HJCVYMJJAGAIPS-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM C[C@H](O)CCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000736142172 598967912 /nfs/dbraw/zinc/96/79/12/598967912.db2.gz DKOUHQCKCQQHLT-NSHDSACASA-N -1 3 397.395 0.880 20 0 GCADHM CCc1nc2n(n1)C[C@H](NS(=O)(=O)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736705911 598971543 /nfs/dbraw/zinc/97/15/43/598971543.db2.gz OVPZFWCOXQOXAV-CYBMUJFWSA-N -1 3 388.457 0.455 20 0 GCADHM CCc1nc2n(n1)C[C@H](NS(=O)(=O)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736705911 598971545 /nfs/dbraw/zinc/97/15/45/598971545.db2.gz OVPZFWCOXQOXAV-CYBMUJFWSA-N -1 3 388.457 0.455 20 0 GCADHM O=C(NCCn1cccn1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738094531 598973420 /nfs/dbraw/zinc/97/34/20/598973420.db2.gz JRSBFZRTZVAEGC-UHFFFAOYSA-N -1 3 385.407 0.734 20 0 GCADHM O=C(NCCn1cccn1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738095553 598974033 /nfs/dbraw/zinc/97/40/33/598974033.db2.gz ZPSSFCRLKHTHQZ-UHFFFAOYSA-N -1 3 385.407 0.734 20 0 GCADHM O=C(NCCn1cccn1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738095553 598974035 /nfs/dbraw/zinc/97/40/35/598974035.db2.gz ZPSSFCRLKHTHQZ-UHFFFAOYSA-N -1 3 385.407 0.734 20 0 GCADHM CCN(C(=O)CNc1cccc(-c2nnn[n-]2)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000821153837 607256296 /nfs/dbraw/zinc/25/62/96/607256296.db2.gz DYQIEMYGFXHDAR-LBPRGKRZSA-N -1 3 378.458 0.623 20 0 GCADHM CCN(C(=O)CNc1cccc(-c2nn[n-]n2)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000821153837 607256297 /nfs/dbraw/zinc/25/62/97/607256297.db2.gz DYQIEMYGFXHDAR-LBPRGKRZSA-N -1 3 378.458 0.623 20 0 GCADHM COCC(=O)N1CCN(CCOc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC000736966407 598982991 /nfs/dbraw/zinc/98/29/91/598982991.db2.gz OLXWXGYFFCGSJE-UHFFFAOYSA-N -1 3 376.417 0.045 20 0 GCADHM COCC(=O)N1CCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC000736966407 598982992 /nfs/dbraw/zinc/98/29/92/598982992.db2.gz OLXWXGYFFCGSJE-UHFFFAOYSA-N -1 3 376.417 0.045 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000736901040 598993624 /nfs/dbraw/zinc/99/36/24/598993624.db2.gz HPZJKZKAZLATMR-SMDDNHRTSA-N -1 3 379.442 0.447 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000736901040 598993626 /nfs/dbraw/zinc/99/36/26/598993626.db2.gz HPZJKZKAZLATMR-SMDDNHRTSA-N -1 3 379.442 0.447 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736510945 598995582 /nfs/dbraw/zinc/99/55/82/598995582.db2.gz AGRQMROVZQSJKG-LBPRGKRZSA-N -1 3 385.471 0.373 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736510945 598995583 /nfs/dbraw/zinc/99/55/83/598995583.db2.gz AGRQMROVZQSJKG-LBPRGKRZSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)CC(=O)NCc1ccco1 ZINC000737221729 598995979 /nfs/dbraw/zinc/99/59/79/598995979.db2.gz PLEDJAJIDQMDKZ-UHFFFAOYSA-N -1 3 390.425 0.705 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)CC(=O)NCc1ccco1 ZINC000737221729 598995981 /nfs/dbraw/zinc/99/59/81/598995981.db2.gz PLEDJAJIDQMDKZ-UHFFFAOYSA-N -1 3 390.425 0.705 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000737223407 599002057 /nfs/dbraw/zinc/00/20/57/599002057.db2.gz HBHBZOCFJSCQLI-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000737223407 599002060 /nfs/dbraw/zinc/00/20/60/599002060.db2.gz HBHBZOCFJSCQLI-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C ZINC000737224602 599002807 /nfs/dbraw/zinc/00/28/07/599002807.db2.gz XYGKBJJMZHDMHA-NSHDSACASA-N -1 3 382.471 0.327 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C ZINC000737224602 599002809 /nfs/dbraw/zinc/00/28/09/599002809.db2.gz XYGKBJJMZHDMHA-NSHDSACASA-N -1 3 382.471 0.327 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000737224469 599004557 /nfs/dbraw/zinc/00/45/57/599004557.db2.gz WKWDAJWIDPJLBQ-MRXNPFEDSA-N -1 3 398.448 0.949 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000737224469 599004559 /nfs/dbraw/zinc/00/45/59/599004559.db2.gz WKWDAJWIDPJLBQ-MRXNPFEDSA-N -1 3 398.448 0.949 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1C)CC2 ZINC000736705457 599004874 /nfs/dbraw/zinc/00/48/74/599004874.db2.gz JHTSEUZUEKZJNG-LBPRGKRZSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1C)CC2 ZINC000736705457 599004875 /nfs/dbraw/zinc/00/48/75/599004875.db2.gz JHTSEUZUEKZJNG-LBPRGKRZSA-N -1 3 388.457 0.622 20 0 GCADHM COC(=O)C[C@H]1CSCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736911989 599006351 /nfs/dbraw/zinc/00/63/51/599006351.db2.gz NQHGMTOKMKVMBI-NSHDSACASA-N -1 3 383.455 0.536 20 0 GCADHM COC(=O)C[C@H]1CSCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736911989 599006353 /nfs/dbraw/zinc/00/63/53/599006353.db2.gz NQHGMTOKMKVMBI-NSHDSACASA-N -1 3 383.455 0.536 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737162995 599010323 /nfs/dbraw/zinc/01/03/23/599010323.db2.gz UEYPNXIZXLTRSR-UONOGXRCSA-N -1 3 399.498 0.642 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737162995 599010325 /nfs/dbraw/zinc/01/03/25/599010325.db2.gz UEYPNXIZXLTRSR-UONOGXRCSA-N -1 3 399.498 0.642 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC000736143626 599011702 /nfs/dbraw/zinc/01/17/02/599011702.db2.gz UQCGVZZBKOIGIW-INIZCTEOSA-N -1 3 388.457 0.942 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC000736143626 599011704 /nfs/dbraw/zinc/01/17/04/599011704.db2.gz UQCGVZZBKOIGIW-INIZCTEOSA-N -1 3 388.457 0.942 20 0 GCADHM Cn1cc([C@H]2[C@H](C(=O)NCc3cccc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000736844323 599015546 /nfs/dbraw/zinc/01/55/46/599015546.db2.gz VSOAJSOEBQMHJJ-WBVHZDCISA-N -1 3 394.439 0.826 20 0 GCADHM Cn1cc([C@H]2[C@H](C(=O)NCc3cccc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000736844323 599015548 /nfs/dbraw/zinc/01/55/48/599015548.db2.gz VSOAJSOEBQMHJJ-WBVHZDCISA-N -1 3 394.439 0.826 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H](O)C1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900533 599016402 /nfs/dbraw/zinc/01/64/02/599016402.db2.gz YOHGGLKEBGKEOM-KGLIPLIRSA-N -1 3 376.369 0.412 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H](O)C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900533 599016404 /nfs/dbraw/zinc/01/64/04/599016404.db2.gz YOHGGLKEBGKEOM-KGLIPLIRSA-N -1 3 376.369 0.412 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCOC[C@H]1CCOC1 ZINC000737288481 599025829 /nfs/dbraw/zinc/02/58/29/599025829.db2.gz KKHLZLQPHQJEJK-CYBMUJFWSA-N -1 3 388.428 0.673 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCOC[C@H]1CCOC1 ZINC000737288481 599025831 /nfs/dbraw/zinc/02/58/31/599025831.db2.gz KKHLZLQPHQJEJK-CYBMUJFWSA-N -1 3 388.428 0.673 20 0 GCADHM O=C(c1nccn2ccnc12)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738291130 599030093 /nfs/dbraw/zinc/03/00/93/599030093.db2.gz DFCWSDRNHXJTSH-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM O=C(c1nccn2ccnc12)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738291130 599030095 /nfs/dbraw/zinc/03/00/95/599030095.db2.gz DFCWSDRNHXJTSH-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000738259214 599030320 /nfs/dbraw/zinc/03/03/20/599030320.db2.gz OCBHEEWUHMLNFA-KRWDZBQOSA-N -1 3 379.424 0.753 20 0 GCADHM Cn1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737601347 599033615 /nfs/dbraw/zinc/03/36/15/599033615.db2.gz CJXSRDRWPFBKLX-QGZVFWFLSA-N -1 3 380.368 0.250 20 0 GCADHM Cn1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737601347 599033617 /nfs/dbraw/zinc/03/36/17/599033617.db2.gz CJXSRDRWPFBKLX-QGZVFWFLSA-N -1 3 380.368 0.250 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000737162413 599039289 /nfs/dbraw/zinc/03/92/89/599039289.db2.gz KEOZOORWRPTJFD-VOTSOKGWSA-N -1 3 387.425 0.760 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000737162413 599039292 /nfs/dbraw/zinc/03/92/92/599039292.db2.gz KEOZOORWRPTJFD-VOTSOKGWSA-N -1 3 387.425 0.760 20 0 GCADHM O=C(CN1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1)NC1CC1 ZINC000737880586 599039861 /nfs/dbraw/zinc/03/98/61/599039861.db2.gz ABWJSCLGVHTZNX-UHFFFAOYSA-N -1 3 396.377 0.681 20 0 GCADHM O=C(CN1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1)NC1CC1 ZINC000737880586 599039863 /nfs/dbraw/zinc/03/98/63/599039863.db2.gz ABWJSCLGVHTZNX-UHFFFAOYSA-N -1 3 396.377 0.681 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736594289 599041209 /nfs/dbraw/zinc/04/12/09/599041209.db2.gz QEYKLGQPVDUWMT-AWEZNQCLSA-N -1 3 391.453 0.890 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736594289 599041211 /nfs/dbraw/zinc/04/12/11/599041211.db2.gz QEYKLGQPVDUWMT-AWEZNQCLSA-N -1 3 391.453 0.890 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737161798 599052407 /nfs/dbraw/zinc/05/24/07/599052407.db2.gz FKQBPCIEQJNDRR-UHFFFAOYSA-N -1 3 376.402 0.752 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737161798 599052410 /nfs/dbraw/zinc/05/24/10/599052410.db2.gz FKQBPCIEQJNDRR-UHFFFAOYSA-N -1 3 376.402 0.752 20 0 GCADHM CC(C)CNC(=O)N1CCC[C@H](CC(=O)n2ncc(-c3nnn[n-]3)c2N)C1 ZINC000735835942 599054153 /nfs/dbraw/zinc/05/41/53/599054153.db2.gz SSMMOICDWHPMAY-LLVKDONJSA-N -1 3 375.437 0.753 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)[C@@H]2CCO[C@@H]21 ZINC000736207352 599054676 /nfs/dbraw/zinc/05/46/76/599054676.db2.gz RIHWUECJMWCEHS-IMJJTQAJSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[C@@H]2CCO[C@@H]21 ZINC000736207352 599054679 /nfs/dbraw/zinc/05/46/79/599054679.db2.gz RIHWUECJMWCEHS-IMJJTQAJSA-N -1 3 398.471 0.907 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000736182310 599054777 /nfs/dbraw/zinc/05/47/77/599054777.db2.gz CZZHJVDDYLCLAO-QWVSSGJLSA-N -1 3 392.485 0.157 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000736182310 599054783 /nfs/dbraw/zinc/05/47/83/599054783.db2.gz CZZHJVDDYLCLAO-QWVSSGJLSA-N -1 3 392.485 0.157 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000738037679 599054939 /nfs/dbraw/zinc/05/49/39/599054939.db2.gz GYOPVZYMPBCMGC-CQSZACIVSA-N -1 3 384.318 0.122 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000738037679 599054943 /nfs/dbraw/zinc/05/49/43/599054943.db2.gz GYOPVZYMPBCMGC-CQSZACIVSA-N -1 3 384.318 0.122 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCCOC[C@H]2CCCO2)cc1 ZINC000737776369 599056939 /nfs/dbraw/zinc/05/69/39/599056939.db2.gz LJLRSFWUJQLXOH-CQSZACIVSA-N -1 3 399.411 0.987 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCCOC[C@H]2CCCO2)cc1 ZINC000737776369 599056942 /nfs/dbraw/zinc/05/69/42/599056942.db2.gz LJLRSFWUJQLXOH-CQSZACIVSA-N -1 3 399.411 0.987 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)C(C)C ZINC000736966392 599058772 /nfs/dbraw/zinc/05/87/72/599058772.db2.gz NYAOZBHKARWKTL-LBPRGKRZSA-N -1 3 396.429 0.197 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)C(C)C ZINC000736966392 599058775 /nfs/dbraw/zinc/05/87/75/599058775.db2.gz NYAOZBHKARWKTL-LBPRGKRZSA-N -1 3 396.429 0.197 20 0 GCADHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736191997 599065232 /nfs/dbraw/zinc/06/52/32/599065232.db2.gz JRFQTWDQVJTKPI-SCZZXKLOSA-N -1 3 385.446 0.790 20 0 GCADHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736191997 599065235 /nfs/dbraw/zinc/06/52/35/599065235.db2.gz JRFQTWDQVJTKPI-SCZZXKLOSA-N -1 3 385.446 0.790 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000737739862 599066057 /nfs/dbraw/zinc/06/60/57/599066057.db2.gz RIVPBEFWHQMNPT-QGZVFWFLSA-N -1 3 379.424 0.921 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000737739862 599066059 /nfs/dbraw/zinc/06/60/59/599066059.db2.gz RIVPBEFWHQMNPT-QGZVFWFLSA-N -1 3 379.424 0.921 20 0 GCADHM CC(C)N(C)C(=O)C1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735857518 599067009 /nfs/dbraw/zinc/06/70/09/599067009.db2.gz TXXYYJFHIWDXPW-INIZCTEOSA-N -1 3 385.472 0.972 20 0 GCADHM CC(C)CNC(=O)C1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735835168 599067162 /nfs/dbraw/zinc/06/71/62/599067162.db2.gz FMJUFCOIDHMASF-INIZCTEOSA-N -1 3 385.472 0.877 20 0 GCADHM CCC(CC)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736336586 599067466 /nfs/dbraw/zinc/06/74/66/599067466.db2.gz DGLOORLONHOWBA-MRXNPFEDSA-N -1 3 385.472 0.974 20 0 GCADHM CCC(CC)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736336586 599067468 /nfs/dbraw/zinc/06/74/68/599067468.db2.gz DGLOORLONHOWBA-MRXNPFEDSA-N -1 3 385.472 0.974 20 0 GCADHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CCOC[C@@H]2CCCO2)C1=O ZINC000736224112 599067990 /nfs/dbraw/zinc/06/79/90/599067990.db2.gz QHERGYSXJINIDG-KBXCAEBGSA-N -1 3 386.412 0.829 20 0 GCADHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CCOC[C@@H]2CCCO2)C1=O ZINC000736224112 599067993 /nfs/dbraw/zinc/06/79/93/599067993.db2.gz QHERGYSXJINIDG-KBXCAEBGSA-N -1 3 386.412 0.829 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000737740654 599069019 /nfs/dbraw/zinc/06/90/19/599069019.db2.gz VANRGPNTSZYTTE-QGZVFWFLSA-N -1 3 378.440 0.606 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000737740654 599069022 /nfs/dbraw/zinc/06/90/22/599069022.db2.gz VANRGPNTSZYTTE-QGZVFWFLSA-N -1 3 378.440 0.606 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000737740647 599069264 /nfs/dbraw/zinc/06/92/64/599069264.db2.gz VANRGPNTSZYTTE-KRWDZBQOSA-N -1 3 378.440 0.606 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000737740647 599069267 /nfs/dbraw/zinc/06/92/67/599069267.db2.gz VANRGPNTSZYTTE-KRWDZBQOSA-N -1 3 378.440 0.606 20 0 GCADHM Cc1c(NCCn2cnc3c2c(=O)n(C)c(=O)n3C)cccc1-c1nnn[n-]1 ZINC000822122437 607258169 /nfs/dbraw/zinc/25/81/69/607258169.db2.gz MMFWAGQQYCSDCC-UHFFFAOYSA-N -1 3 381.400 0.034 20 0 GCADHM Cc1c(NCCn2cnc3c2c(=O)n(C)c(=O)n3C)cccc1-c1nn[n-]n1 ZINC000822122437 607258170 /nfs/dbraw/zinc/25/81/70/607258170.db2.gz MMFWAGQQYCSDCC-UHFFFAOYSA-N -1 3 381.400 0.034 20 0 GCADHM CN([C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000736779916 599074425 /nfs/dbraw/zinc/07/44/25/599074425.db2.gz QRVBJRKRIWLSCH-NVXWUHKLSA-N -1 3 393.455 0.784 20 0 GCADHM CCn1cnnc1C1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736721243 599074520 /nfs/dbraw/zinc/07/45/20/599074520.db2.gz DDOQSMQEJLKIHS-HNNXBMFYSA-N -1 3 381.444 0.884 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737610309 599087595 /nfs/dbraw/zinc/08/75/95/599087595.db2.gz MVJHPFNPONSHIX-HNNXBMFYSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737610309 599087597 /nfs/dbraw/zinc/08/75/97/599087597.db2.gz MVJHPFNPONSHIX-HNNXBMFYSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737610311 599087874 /nfs/dbraw/zinc/08/78/74/599087874.db2.gz MVJHPFNPONSHIX-OAHLLOKOSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737610311 599087877 /nfs/dbraw/zinc/08/78/77/599087877.db2.gz MVJHPFNPONSHIX-OAHLLOKOSA-N -1 3 396.411 0.291 20 0 GCADHM COCC(=O)Nc1cccc(CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736966181 599089184 /nfs/dbraw/zinc/08/91/84/599089184.db2.gz MOMHEHLNMUOZER-QGZVFWFLSA-N -1 3 395.423 0.768 20 0 GCADHM COCC(=O)Nc1cccc(CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736966181 599089187 /nfs/dbraw/zinc/08/91/87/599089187.db2.gz MOMHEHLNMUOZER-QGZVFWFLSA-N -1 3 395.423 0.768 20 0 GCADHM NC(=O)[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737731560 599093933 /nfs/dbraw/zinc/09/39/33/599093933.db2.gz TTZYCBVRYWZTQI-SFHVURJKSA-N -1 3 391.435 0.962 20 0 GCADHM NC(=O)[C@@H](NCC(=O)N1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737731560 599093936 /nfs/dbraw/zinc/09/39/36/599093936.db2.gz TTZYCBVRYWZTQI-SFHVURJKSA-N -1 3 391.435 0.962 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cn1 ZINC000737006168 599094195 /nfs/dbraw/zinc/09/41/95/599094195.db2.gz HLQGBPAIFPUVNU-SREVYHEPSA-N -1 3 396.411 0.478 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cn1 ZINC000737006168 599094198 /nfs/dbraw/zinc/09/41/98/599094198.db2.gz HLQGBPAIFPUVNU-SREVYHEPSA-N -1 3 396.411 0.478 20 0 GCADHM NC(=O)[C@H](NCCNC(=O)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737734812 599094278 /nfs/dbraw/zinc/09/42/78/599094278.db2.gz BMVZSEYDXKPADP-OAHLLOKOSA-N -1 3 383.387 0.552 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H]2CCC[C@@H](O)C2)cc1 ZINC000737776628 599100715 /nfs/dbraw/zinc/10/07/15/599100715.db2.gz MYLLNNYNPGTICZ-SMDDNHRTSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H]2CCC[C@@H](O)C2)cc1 ZINC000737776628 599100718 /nfs/dbraw/zinc/10/07/18/599100718.db2.gz MYLLNNYNPGTICZ-SMDDNHRTSA-N -1 3 382.428 0.916 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737769435 599102581 /nfs/dbraw/zinc/10/25/81/599102581.db2.gz JVWJSRUTALYSCZ-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737769435 599102583 /nfs/dbraw/zinc/10/25/83/599102583.db2.gz JVWJSRUTALYSCZ-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM Cn1nc2c(cc1=O)CN([C@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000822704166 599103650 /nfs/dbraw/zinc/10/36/50/599103650.db2.gz IRRCNGCFJPGEBU-INIZCTEOSA-N -1 3 392.423 0.124 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCCOC[C@H]1CCCO1 ZINC000738079210 599104920 /nfs/dbraw/zinc/10/49/20/599104920.db2.gz XNXMVWASGVQZCR-CYBMUJFWSA-N -1 3 376.421 0.168 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCCOC[C@H]1CCCO1 ZINC000738079210 599104922 /nfs/dbraw/zinc/10/49/22/599104922.db2.gz XNXMVWASGVQZCR-CYBMUJFWSA-N -1 3 376.421 0.168 20 0 GCADHM CCc1nc(COc2ccc(C(=O)n3ncc(-c4nnn[n-]4)c3N)cc2)no1 ZINC000736704320 599106147 /nfs/dbraw/zinc/10/61/47/599106147.db2.gz MBEUKCAILHJZEX-UHFFFAOYSA-N -1 3 381.356 0.858 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCCOC[C@@H]1CCCO1 ZINC000738082274 599106985 /nfs/dbraw/zinc/10/69/85/599106985.db2.gz KMHCOXHQSZCREU-LBPRGKRZSA-N -1 3 376.421 0.168 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCCOC[C@@H]1CCCO1 ZINC000738082274 599106987 /nfs/dbraw/zinc/10/69/87/599106987.db2.gz KMHCOXHQSZCREU-LBPRGKRZSA-N -1 3 376.421 0.168 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736886215 599108488 /nfs/dbraw/zinc/10/84/88/599108488.db2.gz FFZNYWNGMXLLLC-UHFFFAOYSA-N -1 3 398.448 0.907 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736886215 599108491 /nfs/dbraw/zinc/10/84/91/599108491.db2.gz FFZNYWNGMXLLLC-UHFFFAOYSA-N -1 3 398.448 0.907 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737177 599114299 /nfs/dbraw/zinc/11/42/99/599114299.db2.gz OYEJNJMQYSXVJE-CYBMUJFWSA-N -1 3 386.393 0.428 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737177 599114300 /nfs/dbraw/zinc/11/43/00/599114300.db2.gz OYEJNJMQYSXVJE-CYBMUJFWSA-N -1 3 386.393 0.428 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737734832 599113781 /nfs/dbraw/zinc/11/37/81/599113781.db2.gz BZGZLUUGFQXSCH-HNNXBMFYSA-N -1 3 386.412 0.633 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737734832 599113784 /nfs/dbraw/zinc/11/37/84/599113784.db2.gz BZGZLUUGFQXSCH-HNNXBMFYSA-N -1 3 386.412 0.633 20 0 GCADHM NC(=O)Nc1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737756086 599117357 /nfs/dbraw/zinc/11/73/57/599117357.db2.gz RYQBEZVFAMHBJR-ZDUSSCGKSA-N -1 3 381.352 0.741 20 0 GCADHM NC(=O)Nc1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737756086 599117359 /nfs/dbraw/zinc/11/73/59/599117359.db2.gz RYQBEZVFAMHBJR-ZDUSSCGKSA-N -1 3 381.352 0.741 20 0 GCADHM CC(C)(C)OC(=O)NCCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735636335 599117874 /nfs/dbraw/zinc/11/78/74/599117874.db2.gz UVMNMQSNHYQQNU-ZDUSSCGKSA-N -1 3 390.400 0.851 20 0 GCADHM CC(C)(C)OC(=O)NCCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735636335 599117877 /nfs/dbraw/zinc/11/78/77/599117877.db2.gz UVMNMQSNHYQQNU-ZDUSSCGKSA-N -1 3 390.400 0.851 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2cncn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737661 599118776 /nfs/dbraw/zinc/11/87/76/599118776.db2.gz CDGVXRSTEVUCNI-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2cncn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737661 599118779 /nfs/dbraw/zinc/11/87/79/599118779.db2.gz CDGVXRSTEVUCNI-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(NCCO)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737742986 599121312 /nfs/dbraw/zinc/12/13/12/599121312.db2.gz RXMZTHCFNFBGPJ-OAHLLOKOSA-N -1 3 382.380 0.654 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(NCCO)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737742986 599121314 /nfs/dbraw/zinc/12/13/14/599121314.db2.gz RXMZTHCFNFBGPJ-OAHLLOKOSA-N -1 3 382.380 0.654 20 0 GCADHM CCC(=O)N1CCC[C@@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736306544 599122112 /nfs/dbraw/zinc/12/21/12/599122112.db2.gz ZEMRUGBNYXCGKE-UKRRQHHQSA-N -1 3 386.412 0.585 20 0 GCADHM CCC(=O)N1CCC[C@@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736306544 599122114 /nfs/dbraw/zinc/12/21/14/599122114.db2.gz ZEMRUGBNYXCGKE-UKRRQHHQSA-N -1 3 386.412 0.585 20 0 GCADHM C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736124878 599122159 /nfs/dbraw/zinc/12/21/59/599122159.db2.gz IHYGHTWAVQSLEX-TVQRCGJNSA-N -1 3 384.352 0.348 20 0 GCADHM C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736124878 599122160 /nfs/dbraw/zinc/12/21/60/599122160.db2.gz IHYGHTWAVQSLEX-TVQRCGJNSA-N -1 3 384.352 0.348 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736332 599123258 /nfs/dbraw/zinc/12/32/58/599123258.db2.gz IDGRKHPCIBGRBQ-CYBMUJFWSA-N -1 3 386.393 0.428 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736332 599123260 /nfs/dbraw/zinc/12/32/60/599123260.db2.gz IDGRKHPCIBGRBQ-CYBMUJFWSA-N -1 3 386.393 0.428 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114858 599125130 /nfs/dbraw/zinc/12/51/30/599125130.db2.gz CXNDJJIJSGBZGZ-SKDRFNHKSA-N -1 3 390.400 0.850 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114858 599125131 /nfs/dbraw/zinc/12/51/31/599125131.db2.gz CXNDJJIJSGBZGZ-SKDRFNHKSA-N -1 3 390.400 0.850 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2cnnc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738668 599125600 /nfs/dbraw/zinc/12/56/00/599125600.db2.gz HATKTYHELVZPHU-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2cnnc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738668 599125603 /nfs/dbraw/zinc/12/56/03/599125603.db2.gz HATKTYHELVZPHU-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738760 599126019 /nfs/dbraw/zinc/12/60/19/599126019.db2.gz IBKMXENNMNQQKK-HNNXBMFYSA-N -1 3 393.363 0.614 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738760 599126020 /nfs/dbraw/zinc/12/60/20/599126020.db2.gz IBKMXENNMNQQKK-HNNXBMFYSA-N -1 3 393.363 0.614 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736306464 599126831 /nfs/dbraw/zinc/12/68/31/599126831.db2.gz YMWIHCOYJSQKSR-WCQYABFASA-N -1 3 390.425 0.248 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736306464 599126834 /nfs/dbraw/zinc/12/68/34/599126834.db2.gz YMWIHCOYJSQKSR-WCQYABFASA-N -1 3 390.425 0.248 20 0 GCADHM COc1cccc([C@H](O)C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737125803 599127236 /nfs/dbraw/zinc/12/72/36/599127236.db2.gz DXXQJKUGOBNBED-LSDHHAIUSA-N -1 3 383.364 0.679 20 0 GCADHM COc1cccc([C@H](O)C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737125803 599127239 /nfs/dbraw/zinc/12/72/39/599127239.db2.gz DXXQJKUGOBNBED-LSDHHAIUSA-N -1 3 383.364 0.679 20 0 GCADHM NC(=O)[C@H](OC(=O)CN1Cc2ccccc2C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738664 599128677 /nfs/dbraw/zinc/12/86/77/599128677.db2.gz WFYJKYYISFGFKA-MRXNPFEDSA-N -1 3 392.375 0.592 20 0 GCADHM NC(=O)[C@H](OC(=O)CN1Cc2ccccc2C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738664 599128678 /nfs/dbraw/zinc/12/86/78/599128678.db2.gz WFYJKYYISFGFKA-MRXNPFEDSA-N -1 3 392.375 0.592 20 0 GCADHM CC(C)(C)OC(=O)NCc1nnnn1CCOc1ccccc1-c1nnn[n-]1 ZINC000819940210 607258833 /nfs/dbraw/zinc/25/88/33/607258833.db2.gz SIBVDIQFGQUZDL-UHFFFAOYSA-N -1 3 387.404 0.957 20 0 GCADHM CC(C)(C)OC(=O)NCc1nnnn1CCOc1ccccc1-c1nn[n-]n1 ZINC000819940210 607258834 /nfs/dbraw/zinc/25/88/34/607258834.db2.gz SIBVDIQFGQUZDL-UHFFFAOYSA-N -1 3 387.404 0.957 20 0 GCADHM COCc1cc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000821694939 599134456 /nfs/dbraw/zinc/13/44/56/599134456.db2.gz BOQRTVJJLWYLRH-UHFFFAOYSA-N -1 3 383.412 0.959 20 0 GCADHM COCc1cc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000821694939 599134458 /nfs/dbraw/zinc/13/44/58/599134458.db2.gz BOQRTVJJLWYLRH-UHFFFAOYSA-N -1 3 383.412 0.959 20 0 GCADHM CCNC(=O)N1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736576334 599142274 /nfs/dbraw/zinc/14/22/74/599142274.db2.gz QLZXLFZPVFLZFH-UHFFFAOYSA-N -1 3 392.851 0.806 20 0 GCADHM CCNC(=O)N1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736576334 599142276 /nfs/dbraw/zinc/14/22/76/599142276.db2.gz QLZXLFZPVFLZFH-UHFFFAOYSA-N -1 3 392.851 0.806 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cn(Cc2ccccn2)nn1 ZINC000823205896 599145318 /nfs/dbraw/zinc/14/53/18/599145318.db2.gz BIASGNJRZUGDJY-UHFFFAOYSA-N -1 3 391.399 0.138 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cn(Cc2ccccn2)nn1 ZINC000823205896 599145320 /nfs/dbraw/zinc/14/53/20/599145320.db2.gz BIASGNJRZUGDJY-UHFFFAOYSA-N -1 3 391.399 0.138 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1ccccc1Cn1cncn1 ZINC000823206432 599145618 /nfs/dbraw/zinc/14/56/18/599145618.db2.gz SCQVMBWPZOMNKC-UHFFFAOYSA-N -1 3 390.411 0.743 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1ccccc1Cn1cncn1 ZINC000823206432 599145619 /nfs/dbraw/zinc/14/56/19/599145619.db2.gz SCQVMBWPZOMNKC-UHFFFAOYSA-N -1 3 390.411 0.743 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@@H](CO)c1cccc(F)c1 ZINC000738076322 599148591 /nfs/dbraw/zinc/14/85/91/599148591.db2.gz XESCEUKCLSZICD-AWEZNQCLSA-N -1 3 386.391 0.846 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@@H](CO)c1cccc(F)c1 ZINC000738076322 599148594 /nfs/dbraw/zinc/14/85/94/599148594.db2.gz XESCEUKCLSZICD-AWEZNQCLSA-N -1 3 386.391 0.846 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCCC1 ZINC000737737829 599150545 /nfs/dbraw/zinc/15/05/45/599150545.db2.gz FXURRTGVRIXKNG-UHFFFAOYSA-N -1 3 391.819 0.621 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCCC1 ZINC000737737829 599150546 /nfs/dbraw/zinc/15/05/46/599150546.db2.gz FXURRTGVRIXKNG-UHFFFAOYSA-N -1 3 391.819 0.621 20 0 GCADHM CCOC(=O)CCS(=O)(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736596950 599156321 /nfs/dbraw/zinc/15/63/21/599156321.db2.gz WLDUWGHEUPQLML-UHFFFAOYSA-N -1 3 394.457 0.272 20 0 GCADHM CCOC(=O)CCS(=O)(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736596950 599156324 /nfs/dbraw/zinc/15/63/24/599156324.db2.gz WLDUWGHEUPQLML-UHFFFAOYSA-N -1 3 394.457 0.272 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cn(Cc2ccccn2)nn1 ZINC000823215692 599156473 /nfs/dbraw/zinc/15/64/73/599156473.db2.gz PWBWWINRMDWVIT-UHFFFAOYSA-N -1 3 391.395 0.710 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000737753136 599156891 /nfs/dbraw/zinc/15/68/91/599156891.db2.gz MMBQOBXAYVEBCS-UHFFFAOYSA-N -1 3 396.363 0.066 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000737753136 599156894 /nfs/dbraw/zinc/15/68/94/599156894.db2.gz MMBQOBXAYVEBCS-UHFFFAOYSA-N -1 3 396.363 0.066 20 0 GCADHM CC(C)N1C(=O)C(=O)N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1=O ZINC000735874880 599159117 /nfs/dbraw/zinc/15/91/17/599159117.db2.gz IFBWLLSFHUPMIU-UHFFFAOYSA-N -1 3 382.340 0.616 20 0 GCADHM CC(C)N1C(=O)C(=O)N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1=O ZINC000735874880 599159119 /nfs/dbraw/zinc/15/91/19/599159119.db2.gz IFBWLLSFHUPMIU-UHFFFAOYSA-N -1 3 382.340 0.616 20 0 GCADHM O=c1n(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)nnn1-c1ccccc1 ZINC000738381368 599162610 /nfs/dbraw/zinc/16/26/10/599162610.db2.gz LCKOFYSMCXHTRK-UHFFFAOYSA-N -1 3 388.351 0.707 20 0 GCADHM O=c1n(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)nnn1-c1ccccc1 ZINC000738381368 599162612 /nfs/dbraw/zinc/16/26/12/599162612.db2.gz LCKOFYSMCXHTRK-UHFFFAOYSA-N -1 3 388.351 0.707 20 0 GCADHM CCN1CCO[C@H](CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736567803 599168798 /nfs/dbraw/zinc/16/87/98/599168798.db2.gz DQGPZEDEGMDEIR-CQSZACIVSA-N -1 3 397.443 0.085 20 0 GCADHM CCN1CCO[C@H](CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736567803 599168799 /nfs/dbraw/zinc/16/87/99/599168799.db2.gz DQGPZEDEGMDEIR-CQSZACIVSA-N -1 3 397.443 0.085 20 0 GCADHM O=C(CSCC(=O)N1CCOCC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823055835 599173019 /nfs/dbraw/zinc/17/30/19/599173019.db2.gz XLWJZOAIILWGCH-UHFFFAOYSA-N -1 3 394.432 0.214 20 0 GCADHM O=C(CSCC(=O)N1CCOCC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823055835 599173022 /nfs/dbraw/zinc/17/30/22/599173022.db2.gz XLWJZOAIILWGCH-UHFFFAOYSA-N -1 3 394.432 0.214 20 0 GCADHM CC1(C)NC(=O)N(CCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC000820607583 599180781 /nfs/dbraw/zinc/18/07/81/599180781.db2.gz WNKUIULXQDFYGW-UHFFFAOYSA-N -1 3 389.391 0.733 20 0 GCADHM CC1(C)NC(=O)N(CCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC000820607583 599180784 /nfs/dbraw/zinc/18/07/84/599180784.db2.gz WNKUIULXQDFYGW-UHFFFAOYSA-N -1 3 389.391 0.733 20 0 GCADHM Cn1cc([C@H]2CCN([C@@H]3CC(=O)N(c4ccc(-c5nn[n-]n5)cc4)C3=O)C2)cn1 ZINC000737604781 599182113 /nfs/dbraw/zinc/18/21/13/599182113.db2.gz KMXDXDIHEZFCCJ-XJKSGUPXSA-N -1 3 392.423 0.722 20 0 GCADHM COCCCn1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736987022 599183630 /nfs/dbraw/zinc/18/36/30/599183630.db2.gz AAUOSZSTZHJZAT-UHFFFAOYSA-N -1 3 384.400 0.468 20 0 GCADHM COCCCn1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736987022 599183633 /nfs/dbraw/zinc/18/36/33/599183633.db2.gz AAUOSZSTZHJZAT-UHFFFAOYSA-N -1 3 384.400 0.468 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)s1 ZINC000822895196 599184253 /nfs/dbraw/zinc/18/42/53/599184253.db2.gz NKGPETWYPBVBTQ-UHFFFAOYSA-N -1 3 396.429 0.574 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822868510 599188344 /nfs/dbraw/zinc/18/83/44/599188344.db2.gz AXOKKHUDJJKCEK-UHFFFAOYSA-N -1 3 381.396 0.459 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCC[C@H]1O ZINC000823055366 599189318 /nfs/dbraw/zinc/18/93/18/599189318.db2.gz NBXVRWZJLLFGND-ZIAGYGMSSA-N -1 3 379.442 0.059 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000737055428 599190372 /nfs/dbraw/zinc/19/03/72/599190372.db2.gz FXSFLISAJXWNCO-LBPRGKRZSA-N -1 3 396.411 0.563 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@@H](CO)c1ccc(F)cc1 ZINC000738073782 599192025 /nfs/dbraw/zinc/19/20/25/599192025.db2.gz APEJPRQQYMFAMO-AWEZNQCLSA-N -1 3 386.391 0.846 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@@H](CO)c1ccc(F)cc1 ZINC000738073782 599192026 /nfs/dbraw/zinc/19/20/26/599192026.db2.gz APEJPRQQYMFAMO-AWEZNQCLSA-N -1 3 386.391 0.846 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822205720 599195887 /nfs/dbraw/zinc/19/58/87/599195887.db2.gz GDAWRPGUTOEHCU-MVGZEHJDSA-N -1 3 392.423 0.844 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822205720 599195888 /nfs/dbraw/zinc/19/58/88/599195888.db2.gz GDAWRPGUTOEHCU-MVGZEHJDSA-N -1 3 392.423 0.844 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822206117 599196028 /nfs/dbraw/zinc/19/60/28/599196028.db2.gz VAAUJRZEHOGBIG-CQSZACIVSA-N -1 3 395.427 0.242 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC(C)(C)CCS(C)(=O)=O ZINC000821700554 599199503 /nfs/dbraw/zinc/19/95/03/599199503.db2.gz ROCKCWIHNZHVQQ-UHFFFAOYSA-N -1 3 397.457 0.584 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC(C)(C)CCS(C)(=O)=O ZINC000821700554 599199504 /nfs/dbraw/zinc/19/95/04/599199504.db2.gz ROCKCWIHNZHVQQ-UHFFFAOYSA-N -1 3 397.457 0.584 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)Nc1nc(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735467640 599200468 /nfs/dbraw/zinc/20/04/68/599200468.db2.gz SLJKGXXMUAUIRE-CYBMUJFWSA-N -1 3 399.440 0.038 20 0 GCADHM Cc1nc(NC(=O)c2ccc(=O)n(C)c2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737482491 599201142 /nfs/dbraw/zinc/20/11/42/599201142.db2.gz MAEWIWLHGCIDPD-UHFFFAOYSA-N -1 3 377.368 0.129 20 0 GCADHM Cc1noc(CCC(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737535287 599201372 /nfs/dbraw/zinc/20/13/72/599201372.db2.gz SMOMQBYTXAOALZ-UHFFFAOYSA-N -1 3 380.372 0.440 20 0 GCADHM COCCN(C(=O)[C@@H]1CSCN1C(C)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989961 599202046 /nfs/dbraw/zinc/20/20/46/599202046.db2.gz XUHFXEAKABYJKS-AWEZNQCLSA-N -1 3 376.442 0.768 20 0 GCADHM COCCN(C(=O)[C@@H]1CSCN1C(C)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989961 599202048 /nfs/dbraw/zinc/20/20/48/599202048.db2.gz XUHFXEAKABYJKS-AWEZNQCLSA-N -1 3 376.442 0.768 20 0 GCADHM COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821639043 607259568 /nfs/dbraw/zinc/25/95/68/607259568.db2.gz NSPLFYFGDLRSEW-ZETCQYMHSA-N -1 3 393.347 0.973 20 0 GCADHM COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821639043 607259569 /nfs/dbraw/zinc/25/95/69/607259569.db2.gz NSPLFYFGDLRSEW-ZETCQYMHSA-N -1 3 393.347 0.973 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000820666795 599206028 /nfs/dbraw/zinc/20/60/28/599206028.db2.gz KECKWYYNZQYWQV-UOJCXKCYSA-N -1 3 395.467 0.961 20 0 GCADHM COCCN(C(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988724 599203800 /nfs/dbraw/zinc/20/38/00/599203800.db2.gz NPKILWQEZLSZHQ-UHFFFAOYSA-N -1 3 387.400 0.177 20 0 GCADHM COCCN(C(=O)CN1C(=O)NC(C)(C)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988724 599203802 /nfs/dbraw/zinc/20/38/02/599203802.db2.gz NPKILWQEZLSZHQ-UHFFFAOYSA-N -1 3 387.400 0.177 20 0 GCADHM Cc1nn(C)c(C)c1CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000822491965 599210145 /nfs/dbraw/zinc/21/01/45/599210145.db2.gz LQRUNTPZKNISBJ-UHFFFAOYSA-N -1 3 392.427 0.915 20 0 GCADHM Cc1nn(C)c(C)c1CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000822491965 599210150 /nfs/dbraw/zinc/21/01/50/599210150.db2.gz LQRUNTPZKNISBJ-UHFFFAOYSA-N -1 3 392.427 0.915 20 0 GCADHM COCCOC1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737005035 599210378 /nfs/dbraw/zinc/21/03/78/599210378.db2.gz FDDKHGCBZACYJN-UHFFFAOYSA-N -1 3 385.421 0.822 20 0 GCADHM C[C@@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112966 599211704 /nfs/dbraw/zinc/21/17/04/599211704.db2.gz LJMYVZOZESELHP-MFKMUULPSA-N -1 3 379.446 0.261 20 0 GCADHM C[C@@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112966 599211707 /nfs/dbraw/zinc/21/17/07/599211707.db2.gz LJMYVZOZESELHP-MFKMUULPSA-N -1 3 379.446 0.261 20 0 GCADHM CC[S@](=O)CCNC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736664433 599214639 /nfs/dbraw/zinc/21/46/39/599214639.db2.gz KZXKJJXFIVPODK-MHZLTWQESA-N -1 3 391.501 0.463 20 0 GCADHM CC[S@](=O)CCNC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736664433 599214640 /nfs/dbraw/zinc/21/46/40/599214640.db2.gz KZXKJJXFIVPODK-MHZLTWQESA-N -1 3 391.501 0.463 20 0 GCADHM C[S@@](=O)CCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737174618 599215348 /nfs/dbraw/zinc/21/53/48/599215348.db2.gz WFQTVAUJSATKEL-AREMUKBSSA-N -1 3 378.458 0.798 20 0 GCADHM O=C(CSc1nnnn1C1CC1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737953276 599215967 /nfs/dbraw/zinc/21/59/67/599215967.db2.gz KEMFUGFNEYNRFT-UHFFFAOYSA-N -1 3 387.429 0.475 20 0 GCADHM COC(=O)CN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000821661647 599216069 /nfs/dbraw/zinc/21/60/69/599216069.db2.gz RUOHVSWMDKYDNF-LBPRGKRZSA-N -1 3 389.412 0.815 20 0 GCADHM COC(=O)CN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000821661647 599216071 /nfs/dbraw/zinc/21/60/71/599216071.db2.gz RUOHVSWMDKYDNF-LBPRGKRZSA-N -1 3 389.412 0.815 20 0 GCADHM Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822206876 599216203 /nfs/dbraw/zinc/21/62/03/599216203.db2.gz BRPSNHHSLUUGBL-OAHLLOKOSA-N -1 3 394.439 0.763 20 0 GCADHM Cc1cc(N2CCC[C@@H](NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822206876 599216204 /nfs/dbraw/zinc/21/62/04/599216204.db2.gz BRPSNHHSLUUGBL-OAHLLOKOSA-N -1 3 394.439 0.763 20 0 GCADHM O=C(COC(=O)CCCn1ccccc1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737904780 599217859 /nfs/dbraw/zinc/21/78/59/599217859.db2.gz JGFTUJUQTFKPGQ-UHFFFAOYSA-N -1 3 396.407 0.668 20 0 GCADHM O=C(COC(=O)CCCn1ccccc1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737904780 599217860 /nfs/dbraw/zinc/21/78/60/599217860.db2.gz JGFTUJUQTFKPGQ-UHFFFAOYSA-N -1 3 396.407 0.668 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735643383 599218227 /nfs/dbraw/zinc/21/82/27/599218227.db2.gz NSVPLIWHNBONFQ-SANMLTNESA-N -1 3 382.421 0.608 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735643383 599218229 /nfs/dbraw/zinc/21/82/29/599218229.db2.gz NSVPLIWHNBONFQ-SANMLTNESA-N -1 3 382.421 0.608 20 0 GCADHM CC(C)(C)[S@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735643380 599218399 /nfs/dbraw/zinc/21/83/99/599218399.db2.gz NSVPLIWHNBONFQ-AREMUKBSSA-N -1 3 382.421 0.608 20 0 GCADHM CC(C)(C)[S@](=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735643380 599218401 /nfs/dbraw/zinc/21/84/01/599218401.db2.gz NSVPLIWHNBONFQ-AREMUKBSSA-N -1 3 382.421 0.608 20 0 GCADHM COCCOC1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000737004849 599219179 /nfs/dbraw/zinc/21/91/79/599219179.db2.gz BGKNLQRAPUYNGG-UHFFFAOYSA-N -1 3 388.428 0.768 20 0 GCADHM COCCOC1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000737004849 599219183 /nfs/dbraw/zinc/21/91/83/599219183.db2.gz BGKNLQRAPUYNGG-UHFFFAOYSA-N -1 3 388.428 0.768 20 0 GCADHM Cc1ccc2ncc(C(=O)NCCOc3ccc(-c4nn[n-]n4)cc3)c(=O)n2c1 ZINC000737375371 599219396 /nfs/dbraw/zinc/21/93/96/599219396.db2.gz VJQUDQDQIZWYRX-UHFFFAOYSA-N -1 3 391.391 0.992 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc(-n2cnnn2)c1 ZINC000738087778 599220359 /nfs/dbraw/zinc/22/03/59/599220359.db2.gz BAMLJQDIGHEFSE-UHFFFAOYSA-N -1 3 377.368 0.651 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000737955575 599225043 /nfs/dbraw/zinc/22/50/43/599225043.db2.gz JZTRMAMYRSUOKA-UHFFFAOYSA-N -1 3 396.411 0.103 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000737955575 599225046 /nfs/dbraw/zinc/22/50/46/599225046.db2.gz JZTRMAMYRSUOKA-UHFFFAOYSA-N -1 3 396.411 0.103 20 0 GCADHM CC(C)n1ncc2cc(C=CC(=O)N(CCN(C)C)CC(=O)[O-])c(=O)[nH]c21 ZINC000738887744 596901870 /nfs/dbraw/zinc/90/18/70/596901870.db2.gz KUOURCSOEHNHQW-AATRIKPKSA-N -1 3 375.429 0.794 20 0 GCADHM Cc1noc(CCC(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)n1 ZINC000822528180 607261639 /nfs/dbraw/zinc/26/16/39/607261639.db2.gz WGEXTHZBODDZLF-UHFFFAOYSA-N -1 3 375.345 0.882 20 0 GCADHM COC(=O)Cc1csc(N(C)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821663925 599232825 /nfs/dbraw/zinc/23/28/25/599232825.db2.gz UHLZEUMQYAGDKA-UHFFFAOYSA-N -1 3 394.438 0.864 20 0 GCADHM COC(=O)Cc1csc(N(C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821663925 599232827 /nfs/dbraw/zinc/23/28/27/599232827.db2.gz UHLZEUMQYAGDKA-UHFFFAOYSA-N -1 3 394.438 0.864 20 0 GCADHM COC(=O)CN(C1CCOCC1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821662631 599233237 /nfs/dbraw/zinc/23/32/37/599233237.db2.gz LDYFMHXMTGVXFY-UHFFFAOYSA-N -1 3 395.441 0.351 20 0 GCADHM COC(=O)CN(C1CCOCC1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821662631 599233240 /nfs/dbraw/zinc/23/32/40/599233240.db2.gz LDYFMHXMTGVXFY-UHFFFAOYSA-N -1 3 395.441 0.351 20 0 GCADHM CCN1CCN(CCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000739455654 596958353 /nfs/dbraw/zinc/95/83/53/596958353.db2.gz FIMJHHSSYPJQCN-GOSISDBHSA-N -1 3 387.484 0.850 20 0 GCADHM C[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)CN1CCN(C)CC1 ZINC000738917808 597017112 /nfs/dbraw/zinc/01/71/12/597017112.db2.gz YLNLPCANDRMSSL-MAUKXSAKSA-N -1 3 387.484 0.706 20 0 GCADHM Cc1sc(NC(=O)CN2C[C@@H]3OCCN(C)[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822558594 607265815 /nfs/dbraw/zinc/26/58/15/607265815.db2.gz RWWXNXUUWDJIFO-RYUDHWBXSA-N -1 3 377.474 0.498 20 0 GCADHM Cc1sc(NC(=O)CN2C[C@@H]3OCCN(C)[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822558594 607265816 /nfs/dbraw/zinc/26/58/16/607265816.db2.gz RWWXNXUUWDJIFO-RYUDHWBXSA-N -1 3 377.474 0.498 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000736623806 599236989 /nfs/dbraw/zinc/23/69/89/599236989.db2.gz LUVLASBCHYSYOR-LBPRGKRZSA-N -1 3 398.464 0.737 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000736623806 599236991 /nfs/dbraw/zinc/23/69/91/599236991.db2.gz LUVLASBCHYSYOR-LBPRGKRZSA-N -1 3 398.464 0.737 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCN1CCOC ZINC000736406904 599237510 /nfs/dbraw/zinc/23/75/10/599237510.db2.gz MZYLITJTQUOBRN-AWEZNQCLSA-N -1 3 380.474 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCN1CCOC ZINC000736406904 599237513 /nfs/dbraw/zinc/23/75/13/599237513.db2.gz MZYLITJTQUOBRN-AWEZNQCLSA-N -1 3 380.474 0.598 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820656546 599240507 /nfs/dbraw/zinc/24/05/07/599240507.db2.gz GBVYZIKTJSKLIA-IINYFYTJSA-N -1 3 381.400 0.916 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820656546 599240509 /nfs/dbraw/zinc/24/05/09/599240509.db2.gz GBVYZIKTJSKLIA-IINYFYTJSA-N -1 3 381.400 0.916 20 0 GCADHM C[C@H](OC(=O)COC1CCOCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736155129 599240695 /nfs/dbraw/zinc/24/06/95/599240695.db2.gz IGHIRASCSCEMRL-NSHDSACASA-N -1 3 375.385 0.933 20 0 GCADHM C[C@H](OC(=O)COC1CCOCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736155129 599240696 /nfs/dbraw/zinc/24/06/96/599240696.db2.gz IGHIRASCSCEMRL-NSHDSACASA-N -1 3 375.385 0.933 20 0 GCADHM C[C@@H](OC(=O)COC1CCOCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736155000 599240769 /nfs/dbraw/zinc/24/07/69/599240769.db2.gz FJBUROKXFTVAOL-LLVKDONJSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@@H](OC(=O)COC1CCOCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736155000 599240770 /nfs/dbraw/zinc/24/07/70/599240770.db2.gz FJBUROKXFTVAOL-LLVKDONJSA-N -1 3 375.385 0.933 20 0 GCADHM COCCOC[C@@H](C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737004801 599240790 /nfs/dbraw/zinc/24/07/90/599240790.db2.gz ATSQYKUSQNLOLT-LLVKDONJSA-N -1 3 386.416 0.416 20 0 GCADHM COCCOC[C@@H](C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737004801 599240792 /nfs/dbraw/zinc/24/07/92/599240792.db2.gz ATSQYKUSQNLOLT-LLVKDONJSA-N -1 3 386.416 0.416 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC000735510805 599242838 /nfs/dbraw/zinc/24/28/38/599242838.db2.gz BGHBJFSJZLEEMB-CYBMUJFWSA-N -1 3 398.427 0.278 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCn3c(nnc3C3CC3)C2)cccc1-c1nnn[n-]1 ZINC000822043156 607275811 /nfs/dbraw/zinc/27/58/11/607275811.db2.gz BMPFYPCQKOAOMC-UHFFFAOYSA-N -1 3 393.411 0.625 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCn3c(nnc3C3CC3)C2)cccc1-c1nn[n-]n1 ZINC000822043156 607275812 /nfs/dbraw/zinc/27/58/12/607275812.db2.gz BMPFYPCQKOAOMC-UHFFFAOYSA-N -1 3 393.411 0.625 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000736619407 599244550 /nfs/dbraw/zinc/24/45/50/599244550.db2.gz OOHDSYPVLKQANU-ZDUSSCGKSA-N -1 3 387.444 0.374 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000736619407 599244553 /nfs/dbraw/zinc/24/45/53/599244553.db2.gz OOHDSYPVLKQANU-ZDUSSCGKSA-N -1 3 387.444 0.374 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCN(C)CC(F)(F)F)cccc1-c1nnn[n-]1 ZINC000822054257 607276160 /nfs/dbraw/zinc/27/61/60/607276160.db2.gz WTTCPELLRRBGDS-UHFFFAOYSA-N -1 3 385.350 0.724 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCN(C)CC(F)(F)F)cccc1-c1nn[n-]n1 ZINC000822054257 607276161 /nfs/dbraw/zinc/27/61/61/607276161.db2.gz WTTCPELLRRBGDS-UHFFFAOYSA-N -1 3 385.350 0.724 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)cccc1-c1nnn[n-]1 ZINC000822045379 607276239 /nfs/dbraw/zinc/27/62/39/607276239.db2.gz QDYSHKMCOAKPNV-STQMWFEESA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)cccc1-c1nn[n-]n1 ZINC000822045379 607276240 /nfs/dbraw/zinc/27/62/40/607276240.db2.gz QDYSHKMCOAKPNV-STQMWFEESA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822043472 607276910 /nfs/dbraw/zinc/27/69/10/607276910.db2.gz FHIJBKFZGPWMJM-KDHKCVMQSA-N -1 3 376.442 0.482 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822043472 607276911 /nfs/dbraw/zinc/27/69/11/607276911.db2.gz FHIJBKFZGPWMJM-KDHKCVMQSA-N -1 3 376.442 0.482 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCOC2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822053302 607277697 /nfs/dbraw/zinc/27/76/97/607277697.db2.gz LZDDLALLHWANBC-UHFFFAOYSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCOC2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822053302 607277698 /nfs/dbraw/zinc/27/76/98/607277698.db2.gz LZDDLALLHWANBC-UHFFFAOYSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2csc(N(C)C)n2)cccc1-c1nnn[n-]1 ZINC000822061302 607278620 /nfs/dbraw/zinc/27/86/20/607278620.db2.gz MAQTYYRIRIEJRB-UHFFFAOYSA-N -1 3 386.441 0.953 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2csc(N(C)C)n2)cccc1-c1nn[n-]n1 ZINC000822061302 607278621 /nfs/dbraw/zinc/27/86/21/607278621.db2.gz MAQTYYRIRIEJRB-UHFFFAOYSA-N -1 3 386.441 0.953 20 0 GCADHM CNC(=O)CC1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821631597 607278082 /nfs/dbraw/zinc/27/80/82/607278082.db2.gz NFBZSHVNHZBEIQ-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CNC(=O)CC1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821631597 607278083 /nfs/dbraw/zinc/27/80/83/607278083.db2.gz NFBZSHVNHZBEIQ-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM O=C(CNC(=O)OCC(F)(F)F)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737889831 599245883 /nfs/dbraw/zinc/24/58/83/599245883.db2.gz RUDFIABHWVGYHI-UHFFFAOYSA-N -1 3 388.306 0.650 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cccc1-c1nnn[n-]1 ZINC000822043134 607278233 /nfs/dbraw/zinc/27/82/33/607278233.db2.gz BJGHGPVXKQDTAK-CYBMUJFWSA-N -1 3 394.439 0.938 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)cccc1-c1nn[n-]n1 ZINC000822043134 607278234 /nfs/dbraw/zinc/27/82/34/607278234.db2.gz BJGHGPVXKQDTAK-CYBMUJFWSA-N -1 3 394.439 0.938 20 0 GCADHM CCOC(=O)N1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821334108 607272544 /nfs/dbraw/zinc/27/25/44/607272544.db2.gz IULQQWORKHSTDT-UHFFFAOYSA-N -1 3 387.400 0.414 20 0 GCADHM CCOC(=O)N1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821334108 607272545 /nfs/dbraw/zinc/27/25/45/607272545.db2.gz IULQQWORKHSTDT-UHFFFAOYSA-N -1 3 387.400 0.414 20 0 GCADHM O=C(Cn1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1)N1CCOCC1 ZINC000823363374 599249121 /nfs/dbraw/zinc/24/91/21/599249121.db2.gz AAIFYAGGCXJYGL-UHFFFAOYSA-N -1 3 397.399 0.566 20 0 GCADHM O=C(Cn1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1)N1CCOCC1 ZINC000823363374 599249124 /nfs/dbraw/zinc/24/91/24/599249124.db2.gz AAIFYAGGCXJYGL-UHFFFAOYSA-N -1 3 397.399 0.566 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000818378642 597263465 /nfs/dbraw/zinc/26/34/65/597263465.db2.gz YNDBWPGSVYUYFJ-SFHVURJKSA-N -1 3 382.461 0.352 20 0 GCADHM Cc1c(NC(=O)NC2CCN(S(C)(=O)=O)CC2)cccc1-c1nnn[n-]1 ZINC000822090289 607287365 /nfs/dbraw/zinc/28/73/65/607287365.db2.gz JSIRKNOKUCXSBQ-UHFFFAOYSA-N -1 3 379.446 0.721 20 0 GCADHM Cc1c(NC(=O)NC2CCN(S(C)(=O)=O)CC2)cccc1-c1nn[n-]n1 ZINC000822090289 607287366 /nfs/dbraw/zinc/28/73/66/607287366.db2.gz JSIRKNOKUCXSBQ-UHFFFAOYSA-N -1 3 379.446 0.721 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736182483 599258617 /nfs/dbraw/zinc/25/86/17/599258617.db2.gz GDCXCMPNQHCTBB-RISCZKNCSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736182483 599258619 /nfs/dbraw/zinc/25/86/19/599258619.db2.gz GDCXCMPNQHCTBB-RISCZKNCSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)[C@H]1CN(C)CCO1 ZINC000820317011 607293043 /nfs/dbraw/zinc/29/30/43/607293043.db2.gz ZLPMBPVOCYOANR-TVQRCGJNSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000820317030 607293112 /nfs/dbraw/zinc/29/31/12/607293112.db2.gz ZQNCNESILAGHPW-ZANVPECISA-N -1 3 393.835 0.294 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000820317030 607293113 /nfs/dbraw/zinc/29/31/13/607293113.db2.gz ZQNCNESILAGHPW-ZANVPECISA-N -1 3 393.835 0.294 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736182486 599258917 /nfs/dbraw/zinc/25/89/17/599258917.db2.gz GDCXCMPNQHCTBB-SMDDNHRTSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736182486 599258918 /nfs/dbraw/zinc/25/89/18/599258918.db2.gz GDCXCMPNQHCTBB-SMDDNHRTSA-N -1 3 396.411 0.289 20 0 GCADHM Cc1c(NC(=O)CN(C)S(=O)(=O)c2cccnc2)cccc1-c1nnn[n-]1 ZINC000822068834 607295273 /nfs/dbraw/zinc/29/52/73/607295273.db2.gz VOVVAYFIJZVRRW-UHFFFAOYSA-N -1 3 387.425 0.829 20 0 GCADHM Cc1c(NC(=O)CN(C)S(=O)(=O)c2cccnc2)cccc1-c1nn[n-]n1 ZINC000822068834 607295274 /nfs/dbraw/zinc/29/52/74/607295274.db2.gz VOVVAYFIJZVRRW-UHFFFAOYSA-N -1 3 387.425 0.829 20 0 GCADHM CS(=O)(=O)CCCNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821927100 607300020 /nfs/dbraw/zinc/30/00/20/607300020.db2.gz OOOTUZCCIAIGIA-UHFFFAOYSA-N -1 3 394.457 0.526 20 0 GCADHM CS(=O)(=O)CCCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821927100 607300021 /nfs/dbraw/zinc/30/00/21/607300021.db2.gz OOOTUZCCIAIGIA-UHFFFAOYSA-N -1 3 394.457 0.526 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737612148 599260846 /nfs/dbraw/zinc/26/08/46/599260846.db2.gz XFEBNOMILGUHQD-AWEZNQCLSA-N -1 3 398.452 0.614 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737612148 599260847 /nfs/dbraw/zinc/26/08/47/599260847.db2.gz XFEBNOMILGUHQD-AWEZNQCLSA-N -1 3 398.452 0.614 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823170891 607300211 /nfs/dbraw/zinc/30/02/11/607300211.db2.gz LBXZHYVCDXTSST-NSHDSACASA-N -1 3 393.860 0.956 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823170891 607300212 /nfs/dbraw/zinc/30/02/12/607300212.db2.gz LBXZHYVCDXTSST-NSHDSACASA-N -1 3 393.860 0.956 20 0 GCADHM CC1(C)C(=O)NCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820577279 607300471 /nfs/dbraw/zinc/30/04/71/607300471.db2.gz NAYUESMGUCRZFK-UHFFFAOYSA-N -1 3 385.428 0.713 20 0 GCADHM CC1(C)C(=O)NCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820577279 607300472 /nfs/dbraw/zinc/30/04/72/607300472.db2.gz NAYUESMGUCRZFK-UHFFFAOYSA-N -1 3 385.428 0.713 20 0 GCADHM Cc1nnc(CNC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)n1C ZINC000822510653 607300934 /nfs/dbraw/zinc/30/09/34/607300934.db2.gz STWVPWHQPUNGME-UHFFFAOYSA-N -1 3 383.416 0.729 20 0 GCADHM Cc1nnc(CNC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)n1C ZINC000822510653 607300935 /nfs/dbraw/zinc/30/09/35/607300935.db2.gz STWVPWHQPUNGME-UHFFFAOYSA-N -1 3 383.416 0.729 20 0 GCADHM COc1ccc(C(=O)N(C)C)cc1NC[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821768952 607313166 /nfs/dbraw/zinc/31/31/66/607313166.db2.gz BSOJYURBWCWKKA-LLVKDONJSA-N -1 3 397.443 0.927 20 0 GCADHM COc1ccc(C(=O)N(C)C)cc1NC[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821768952 607313167 /nfs/dbraw/zinc/31/31/67/607313167.db2.gz BSOJYURBWCWKKA-LLVKDONJSA-N -1 3 397.443 0.927 20 0 GCADHM Cc1cnn(CCNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737449276 599264841 /nfs/dbraw/zinc/26/48/41/599264841.db2.gz VGBZSMASCRCXBV-UHFFFAOYSA-N -1 3 389.441 0.103 20 0 GCADHM NC(=O)CCOc1ccccc1NC[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000822869250 607313785 /nfs/dbraw/zinc/31/37/85/607313785.db2.gz RQKXAGFCZVFKOM-NSHDSACASA-N -1 3 383.416 0.471 20 0 GCADHM NC(=O)CCOc1ccccc1NC[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000822869250 607313786 /nfs/dbraw/zinc/31/37/86/607313786.db2.gz RQKXAGFCZVFKOM-NSHDSACASA-N -1 3 383.416 0.471 20 0 GCADHM Cc1cnn(CCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)c1 ZINC000737449295 599264992 /nfs/dbraw/zinc/26/49/92/599264992.db2.gz VKJYDWRIOAWONW-UHFFFAOYSA-N -1 3 378.400 0.570 20 0 GCADHM Cc1cnn(CCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)c1 ZINC000737449295 599264994 /nfs/dbraw/zinc/26/49/94/599264994.db2.gz VKJYDWRIOAWONW-UHFFFAOYSA-N -1 3 378.400 0.570 20 0 GCADHM CS(=O)(=O)Cc1cccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821932332 607314391 /nfs/dbraw/zinc/31/43/91/607314391.db2.gz KQBWBXFAEJCEDT-GFCCVEGCSA-N -1 3 388.457 0.762 20 0 GCADHM CS(=O)(=O)Cc1cccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821932332 607314392 /nfs/dbraw/zinc/31/43/92/607314392.db2.gz KQBWBXFAEJCEDT-GFCCVEGCSA-N -1 3 388.457 0.762 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000737761554 599266123 /nfs/dbraw/zinc/26/61/23/599266123.db2.gz ZYELJCZCPHMFEN-UHFFFAOYSA-N -1 3 377.408 0.928 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000737761554 599266125 /nfs/dbraw/zinc/26/61/25/599266125.db2.gz ZYELJCZCPHMFEN-UHFFFAOYSA-N -1 3 377.408 0.928 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(Cc3cn4ccccc4c3-c3nnn[n-]3)C2=O)cn1 ZINC000822674639 607304848 /nfs/dbraw/zinc/30/48/48/607304848.db2.gz YNRZEWDYGXENQD-SFHVURJKSA-N -1 3 391.395 0.820 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(Cc3cn4ccccc4c3-c3nn[n-]n3)C2=O)cn1 ZINC000822674639 607304849 /nfs/dbraw/zinc/30/48/49/607304849.db2.gz YNRZEWDYGXENQD-SFHVURJKSA-N -1 3 391.395 0.820 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(CCOc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000822674071 607304897 /nfs/dbraw/zinc/30/48/97/607304897.db2.gz KSFJSPBZQHTUOZ-KRWDZBQOSA-N -1 3 382.384 0.446 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(CCOc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000822674071 607304898 /nfs/dbraw/zinc/30/48/98/607304898.db2.gz KSFJSPBZQHTUOZ-KRWDZBQOSA-N -1 3 382.384 0.446 20 0 GCADHM Cc1cc(N2CCN(C(=O)CN3CC[C@H](C(=O)[O-])C3)CC2)nc(C(C)C)n1 ZINC000818835384 597527944 /nfs/dbraw/zinc/52/79/44/597527944.db2.gz IBCVAVVSPYQBLH-HNNXBMFYSA-N -1 3 375.473 0.964 20 0 GCADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCCNS(C)(=O)=O)c2c1 ZINC000737249435 599267104 /nfs/dbraw/zinc/26/71/04/599267104.db2.gz ZMTFGGKLHWKQOH-UHFFFAOYSA-N -1 3 375.458 0.805 20 0 GCADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCCNS(C)(=O)=O)c2c1 ZINC000737249435 599267106 /nfs/dbraw/zinc/26/71/06/599267106.db2.gz ZMTFGGKLHWKQOH-UHFFFAOYSA-N -1 3 375.458 0.805 20 0 GCADHM CS(=O)(=O)NCCCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000737167506 599267535 /nfs/dbraw/zinc/26/75/35/599267535.db2.gz BSKZUFQLSODONN-UHFFFAOYSA-N -1 3 381.849 0.841 20 0 GCADHM CS(=O)(=O)NCCCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000737167506 599267538 /nfs/dbraw/zinc/26/75/38/599267538.db2.gz BSKZUFQLSODONN-UHFFFAOYSA-N -1 3 381.849 0.841 20 0 GCADHM CNC(=O)c1cccc(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)c1 ZINC000736881831 599269328 /nfs/dbraw/zinc/26/93/28/599269328.db2.gz LITLNHPRPLIAAI-UHFFFAOYSA-N -1 3 387.425 0.486 20 0 GCADHM CNC(=O)c1cccc(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)c1 ZINC000736881831 599269329 /nfs/dbraw/zinc/26/93/29/599269329.db2.gz LITLNHPRPLIAAI-UHFFFAOYSA-N -1 3 387.425 0.486 20 0 GCADHM CCN1CCN(c2ccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000510300332 597693041 /nfs/dbraw/zinc/69/30/41/597693041.db2.gz VODHSYHDGYHMMZ-HNNXBMFYSA-N -1 3 390.484 0.880 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737161497 599276114 /nfs/dbraw/zinc/27/61/14/599276114.db2.gz LHFPYXOILLCMEN-CYBMUJFWSA-N -1 3 383.455 0.192 20 0 GCADHM COC[C@H](C)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736972341 599274177 /nfs/dbraw/zinc/27/41/77/599274177.db2.gz XLMAJJLSWBQDAK-NSHDSACASA-N -1 3 384.437 0.493 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000736184697 599274214 /nfs/dbraw/zinc/27/42/14/599274214.db2.gz MIXLVVLJKNDKNS-ZWNOBZJWSA-N -1 3 397.482 0.580 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000736184697 599274217 /nfs/dbraw/zinc/27/42/17/599274217.db2.gz MIXLVVLJKNDKNS-ZWNOBZJWSA-N -1 3 397.482 0.580 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736170873 599276223 /nfs/dbraw/zinc/27/62/23/599276223.db2.gz SFSAGFWWVQCPSJ-IUODEOHRSA-N -1 3 384.400 0.153 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737161139 599276319 /nfs/dbraw/zinc/27/63/19/599276319.db2.gz GDWVAKZQLSEQIK-CQSZACIVSA-N -1 3 381.483 0.745 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737161139 599276322 /nfs/dbraw/zinc/27/63/22/599276322.db2.gz GDWVAKZQLSEQIK-CQSZACIVSA-N -1 3 381.483 0.745 20 0 GCADHM O=C(c1cccc2nccn21)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823493229 607320094 /nfs/dbraw/zinc/32/00/94/607320094.db2.gz IZGYAEKZYJSWMK-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(c1cccc2nccn21)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823493229 607320095 /nfs/dbraw/zinc/32/00/95/607320095.db2.gz IZGYAEKZYJSWMK-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000737061432 599281348 /nfs/dbraw/zinc/28/13/48/599281348.db2.gz CJIQGWNUJWKZNY-LBPRGKRZSA-N -1 3 397.399 0.536 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000821700666 607321160 /nfs/dbraw/zinc/32/11/60/607321160.db2.gz UMAVOLALBVRJFP-XHDPSFHLSA-N -1 3 376.417 0.089 20 0 GCADHM Cc1c(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cccc1-c1nnn[n-]1 ZINC000822061575 607321162 /nfs/dbraw/zinc/32/11/62/607321162.db2.gz QSIXIIGMLLCVRK-UHFFFAOYSA-N -1 3 385.409 0.611 20 0 GCADHM Cc1c(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cccc1-c1nn[n-]n1 ZINC000822061575 607321163 /nfs/dbraw/zinc/32/11/63/607321163.db2.gz QSIXIIGMLLCVRK-UHFFFAOYSA-N -1 3 385.409 0.611 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000819991290 607324154 /nfs/dbraw/zinc/32/41/54/607324154.db2.gz DYUXBLNLLBTRIM-OAHLLOKOSA-N -1 3 386.456 0.957 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000281897968 607328274 /nfs/dbraw/zinc/32/82/74/607328274.db2.gz YWXGKMDXMKJXHH-UHFFFAOYSA-N -1 3 399.864 0.556 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000281897968 607328275 /nfs/dbraw/zinc/32/82/75/607328275.db2.gz YWXGKMDXMKJXHH-UHFFFAOYSA-N -1 3 399.864 0.556 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)c1nnc2ccccn21 ZINC000820316063 607332570 /nfs/dbraw/zinc/33/25/70/607332570.db2.gz RVWACVYJVYYYJB-VIFPVBQESA-N -1 3 395.358 0.864 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)c1nnc2ccccn21 ZINC000820316063 607332571 /nfs/dbraw/zinc/33/25/71/607332571.db2.gz RVWACVYJVYYYJB-VIFPVBQESA-N -1 3 395.358 0.864 20 0 GCADHM O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823182895 607332734 /nfs/dbraw/zinc/33/27/34/607332734.db2.gz PQDMQWMAXHLLGL-LLVKDONJSA-N -1 3 398.354 0.901 20 0 GCADHM O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823182895 607332735 /nfs/dbraw/zinc/33/27/35/607332735.db2.gz PQDMQWMAXHLLGL-LLVKDONJSA-N -1 3 398.354 0.901 20 0 GCADHM O=C(NC[C@H](CO)Cc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823160709 607333539 /nfs/dbraw/zinc/33/35/39/607333539.db2.gz FXBQTOBOAZSIFN-SNVBAGLBSA-N -1 3 388.359 0.505 20 0 GCADHM O=C(NC[C@H](CO)Cc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823160709 607333540 /nfs/dbraw/zinc/33/35/40/607333540.db2.gz FXBQTOBOAZSIFN-SNVBAGLBSA-N -1 3 388.359 0.505 20 0 GCADHM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000822472649 607333718 /nfs/dbraw/zinc/33/37/18/607333718.db2.gz WFIUHSPAAJDUGQ-GFCCVEGCSA-N -1 3 396.386 0.716 20 0 GCADHM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000822472649 607333719 /nfs/dbraw/zinc/33/37/19/607333719.db2.gz WFIUHSPAAJDUGQ-GFCCVEGCSA-N -1 3 396.386 0.716 20 0 GCADHM CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F 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CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821319204 607344454 /nfs/dbraw/zinc/34/44/54/607344454.db2.gz CCFHGVKQSOSJHY-LLVKDONJSA-N -1 3 390.375 0.746 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821319204 607344455 /nfs/dbraw/zinc/34/44/55/607344455.db2.gz CCFHGVKQSOSJHY-LLVKDONJSA-N -1 3 390.375 0.746 20 0 GCADHM NC(=O)c1csc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737765152 598232199 /nfs/dbraw/zinc/23/21/99/598232199.db2.gz SSZPEDKPHVNLDC-UHFFFAOYSA-N -1 3 383.437 0.990 20 0 GCADHM NC(=O)c1csc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737765152 598232200 /nfs/dbraw/zinc/23/22/00/598232200.db2.gz SSZPEDKPHVNLDC-UHFFFAOYSA-N -1 3 383.437 0.990 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCN1CCCS1(=O)=O ZINC000736171166 598232268 /nfs/dbraw/zinc/23/22/68/598232268.db2.gz UIYOLNXBDNQLEB-LBPRGKRZSA-N -1 3 394.457 0.176 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000737759961 598232339 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NMWDGCZFUCGNTF-UHFFFAOYSA-N -1 3 381.396 0.853 20 0 GCADHM COC(=O)c1cn(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)nn1 ZINC000736956719 598243432 /nfs/dbraw/zinc/24/34/32/598243432.db2.gz IPXHEWBNMBKDTK-UHFFFAOYSA-N -1 3 384.400 0.746 20 0 GCADHM COC(=O)c1cn(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)nn1 ZINC000736956719 598243434 /nfs/dbraw/zinc/24/34/34/598243434.db2.gz IPXHEWBNMBKDTK-UHFFFAOYSA-N -1 3 384.400 0.746 20 0 GCADHM COC(=O)c1ncn(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000736956730 598243499 /nfs/dbraw/zinc/24/34/99/598243499.db2.gz JDWAPWPMDHDELB-UHFFFAOYSA-N -1 3 384.400 0.746 20 0 GCADHM COC(=O)c1ncn(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000736956730 598243502 /nfs/dbraw/zinc/24/35/02/598243502.db2.gz JDWAPWPMDHDELB-UHFFFAOYSA-N -1 3 384.400 0.746 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CCO1 ZINC000736282489 598248780 /nfs/dbraw/zinc/24/87/80/598248780.db2.gz YABHZZSWDCHNEX-CQSZACIVSA-N -1 3 386.456 0.957 20 0 GCADHM C[C@@H]1CCc2c(sc(NC(=O)CCN(C)CC(N)=O)c2-c2nnn[n-]2)C1 ZINC000736279002 598249525 /nfs/dbraw/zinc/24/95/25/598249525.db2.gz IWCXWFCOCMHKAP-SECBINFHSA-N -1 3 377.474 0.799 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735888159 598252346 /nfs/dbraw/zinc/25/23/46/598252346.db2.gz HXSZOIXATHXCBZ-CYBMUJFWSA-N -1 3 386.460 0.611 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735888159 598252348 /nfs/dbraw/zinc/25/23/48/598252348.db2.gz HXSZOIXATHXCBZ-CYBMUJFWSA-N -1 3 386.460 0.611 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](C)N1CCOCC1 ZINC000736131813 598253316 /nfs/dbraw/zinc/25/33/16/598253316.db2.gz SHEHPFKBJSNNPR-GHMZBOCLSA-N -1 3 384.437 0.393 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](C)N1CCOCC1 ZINC000736131813 598253318 /nfs/dbraw/zinc/25/33/18/598253318.db2.gz SHEHPFKBJSNNPR-GHMZBOCLSA-N -1 3 384.437 0.393 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)C[C@H](C)O1 ZINC000736281951 598253436 /nfs/dbraw/zinc/25/34/36/598253436.db2.gz VIXRIDIRXVOAAP-GASCZTMLSA-N -1 3 385.472 0.625 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)C[C@H](C)O1 ZINC000736281951 598253438 /nfs/dbraw/zinc/25/34/38/598253438.db2.gz VIXRIDIRXVOAAP-GASCZTMLSA-N -1 3 385.472 0.625 20 0 GCADHM Cn1cccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c1=O ZINC000737614577 598259515 /nfs/dbraw/zinc/25/95/15/598259515.db2.gz WBPKVZZNJHQARC-UHFFFAOYSA-N -1 3 383.387 0.667 20 0 GCADHM CCOCCS(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736624974 598260601 /nfs/dbraw/zinc/26/06/01/598260601.db2.gz GUDPDQHVCOPTSS-UHFFFAOYSA-N -1 3 380.474 0.351 20 0 GCADHM CCOCCS(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736624974 598260603 /nfs/dbraw/zinc/26/06/03/598260603.db2.gz GUDPDQHVCOPTSS-UHFFFAOYSA-N -1 3 380.474 0.351 20 0 GCADHM CN(C)[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)Cc1ccccc1 ZINC000736761850 598260748 /nfs/dbraw/zinc/26/07/48/598260748.db2.gz UZQUUXIUMREVLY-AWEZNQCLSA-N -1 3 387.469 0.713 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000737032026 598261368 /nfs/dbraw/zinc/26/13/68/598261368.db2.gz IUQIVSWJFQHOLZ-UHFFFAOYSA-N -1 3 388.427 0.161 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)C1CCS(=O)(=O)CC1 ZINC000737032026 598261369 /nfs/dbraw/zinc/26/13/69/598261369.db2.gz IUQIVSWJFQHOLZ-UHFFFAOYSA-N -1 3 388.427 0.161 20 0 GCADHM O=S(=O)(C[C@@H]1CCCCO1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738320859 598262450 /nfs/dbraw/zinc/26/24/50/598262450.db2.gz YTHSBLWGLREJNH-ZDUSSCGKSA-N -1 3 393.473 0.283 20 0 GCADHM O=S(=O)(C[C@@H]1CCCCO1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738320859 598262451 /nfs/dbraw/zinc/26/24/51/598262451.db2.gz YTHSBLWGLREJNH-ZDUSSCGKSA-N -1 3 393.473 0.283 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738316488 598264105 /nfs/dbraw/zinc/26/41/05/598264105.db2.gz BDPOQEIYGDQTKV-GFCCVEGCSA-N -1 3 396.448 0.637 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738316488 598264106 /nfs/dbraw/zinc/26/41/06/598264106.db2.gz BDPOQEIYGDQTKV-GFCCVEGCSA-N -1 3 396.448 0.637 20 0 GCADHM O=S(=O)(Cc1ccc(Cl)nc1)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738328868 598264453 /nfs/dbraw/zinc/26/44/53/598264453.db2.gz GSJOGIJBTIWBKU-UHFFFAOYSA-N -1 3 394.848 0.842 20 0 GCADHM O=S(=O)(Cc1ccc(Cl)nc1)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738328868 598264455 /nfs/dbraw/zinc/26/44/55/598264455.db2.gz GSJOGIJBTIWBKU-UHFFFAOYSA-N -1 3 394.848 0.842 20 0 GCADHM Cc1nc(C2(NS(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCCC2)no1 ZINC000737475160 598265707 /nfs/dbraw/zinc/26/57/07/598265707.db2.gz ZKAKHLBBRBDBHH-UHFFFAOYSA-N -1 3 376.402 0.701 20 0 GCADHM CN(C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736765485 598266606 /nfs/dbraw/zinc/26/66/06/598266606.db2.gz XHKGFEJQSZGFHI-AWEZNQCLSA-N -1 3 387.469 0.713 20 0 GCADHM CN(C)[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cc1 ZINC000736762748 598267097 /nfs/dbraw/zinc/26/70/97/598267097.db2.gz XCNIVSFIISPKMW-OAHLLOKOSA-N -1 3 391.432 0.982 20 0 GCADHM CN(C)[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cc1 ZINC000736762748 598267099 /nfs/dbraw/zinc/26/70/99/598267099.db2.gz XCNIVSFIISPKMW-OAHLLOKOSA-N -1 3 391.432 0.982 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735684121 598271624 /nfs/dbraw/zinc/27/16/24/598271624.db2.gz BQULGLWUFKRIGM-ZDUSSCGKSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735684121 598271625 /nfs/dbraw/zinc/27/16/25/598271625.db2.gz BQULGLWUFKRIGM-ZDUSSCGKSA-N -1 3 378.458 0.792 20 0 GCADHM O=S(=O)(C[C@@H]1CCCCO1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738320312 598272694 /nfs/dbraw/zinc/27/26/94/598272694.db2.gz WZQPWBRVVDCEIL-AWEZNQCLSA-N -1 3 392.485 0.888 20 0 GCADHM O=S(=O)(C[C@@H]1CCCCO1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738320312 598272696 /nfs/dbraw/zinc/27/26/96/598272696.db2.gz WZQPWBRVVDCEIL-AWEZNQCLSA-N -1 3 392.485 0.888 20 0 GCADHM Cc1onc2c1c(C)nn(C[C@H](O)COc1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000737513491 598274473 /nfs/dbraw/zinc/27/44/73/598274473.db2.gz PHJUMADVLIZIDS-LBPRGKRZSA-N -1 3 383.368 0.621 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1cccnc1 ZINC000737896179 598274508 /nfs/dbraw/zinc/27/45/08/598274508.db2.gz YENOCZXQIBSDIG-UHFFFAOYSA-N -1 3 393.816 0.832 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1cccnc1 ZINC000737896179 598274509 /nfs/dbraw/zinc/27/45/09/598274509.db2.gz YENOCZXQIBSDIG-UHFFFAOYSA-N -1 3 393.816 0.832 20 0 GCADHM CS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000737167913 598275552 /nfs/dbraw/zinc/27/55/52/598275552.db2.gz WOZNAJXRMAELDX-UHFFFAOYSA-N -1 3 376.364 0.967 20 0 GCADHM CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000737167913 598275553 /nfs/dbraw/zinc/27/55/53/598275553.db2.gz WOZNAJXRMAELDX-UHFFFAOYSA-N -1 3 376.364 0.967 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000735660281 598277534 /nfs/dbraw/zinc/27/75/34/598277534.db2.gz LEEYSRQVRPNMPT-ZDUSSCGKSA-N -1 3 392.464 0.238 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000735660281 598277536 /nfs/dbraw/zinc/27/75/36/598277536.db2.gz LEEYSRQVRPNMPT-ZDUSSCGKSA-N -1 3 392.464 0.238 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000736395932 598281368 /nfs/dbraw/zinc/28/13/68/598281368.db2.gz KMXHUMBGGAZJOR-INIZCTEOSA-N -1 3 375.364 0.689 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000736395932 598281369 /nfs/dbraw/zinc/28/13/69/598281369.db2.gz KMXHUMBGGAZJOR-INIZCTEOSA-N -1 3 375.364 0.689 20 0 GCADHM CS(=O)(=O)CCCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737162023 598283815 /nfs/dbraw/zinc/28/38/15/598283815.db2.gz HILMELAKESLSDH-UHFFFAOYSA-N -1 3 393.473 0.133 20 0 GCADHM CS(=O)(=O)CCCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737162023 598283816 /nfs/dbraw/zinc/28/38/16/598283816.db2.gz HILMELAKESLSDH-UHFFFAOYSA-N -1 3 393.473 0.133 20 0 GCADHM Cn1cc(CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cn1 ZINC000737601950 598284573 /nfs/dbraw/zinc/28/45/73/598284573.db2.gz MAIASEOODNJRRH-UHFFFAOYSA-N -1 3 385.407 0.771 20 0 GCADHM C[C@@H](OC(=O)C1(C(=O)NC2CC2)CC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736147903 598287330 /nfs/dbraw/zinc/28/73/30/598287330.db2.gz ARSRBEUQFUXEAZ-SNVBAGLBSA-N -1 3 384.396 0.796 20 0 GCADHM C[C@@H](OC(=O)C1(C(=O)NC2CC2)CC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736147903 598287331 /nfs/dbraw/zinc/28/73/31/598287331.db2.gz ARSRBEUQFUXEAZ-SNVBAGLBSA-N -1 3 384.396 0.796 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)COC(=O)C(C)(C)O ZINC000736988569 598289704 /nfs/dbraw/zinc/28/97/04/598289704.db2.gz VUYDSGMQTWIGQA-UHFFFAOYSA-N -1 3 394.432 0.574 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)COC(=O)C(C)(C)O ZINC000736988569 598289705 /nfs/dbraw/zinc/28/97/05/598289705.db2.gz VUYDSGMQTWIGQA-UHFFFAOYSA-N -1 3 394.432 0.574 20 0 GCADHM CC(C)(C)OC(=O)NCCCC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735636009 598292799 /nfs/dbraw/zinc/29/27/99/598292799.db2.gz MSJWZRDJGDKPLB-UHFFFAOYSA-N -1 3 380.409 0.494 20 0 GCADHM CC(C)(C)OC(=O)NCCCC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735636009 598292800 /nfs/dbraw/zinc/29/28/00/598292800.db2.gz MSJWZRDJGDKPLB-UHFFFAOYSA-N -1 3 380.409 0.494 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735594403 598293740 /nfs/dbraw/zinc/29/37/40/598293740.db2.gz RPVXCRZSPPSPNA-GFCCVEGCSA-N -1 3 390.448 0.616 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735594403 598293742 /nfs/dbraw/zinc/29/37/42/598293742.db2.gz RPVXCRZSPPSPNA-GFCCVEGCSA-N -1 3 390.448 0.616 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000737772595 598293970 /nfs/dbraw/zinc/29/39/70/598293970.db2.gz ZXJOUCOVLKRXND-UHFFFAOYSA-N -1 3 382.384 0.851 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000737772595 598293971 /nfs/dbraw/zinc/29/39/71/598293971.db2.gz ZXJOUCOVLKRXND-UHFFFAOYSA-N -1 3 382.384 0.851 20 0 GCADHM COC(=O)CCCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736912647 598294248 /nfs/dbraw/zinc/29/42/48/598294248.db2.gz FDSKAJBJGDPETE-UHFFFAOYSA-N -1 3 391.407 0.791 20 0 GCADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000736320708 598294453 /nfs/dbraw/zinc/29/44/53/598294453.db2.gz WKTSSIRQOLDVLZ-VXGBXAGGSA-N -1 3 390.448 0.473 20 0 GCADHM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000736320708 598294454 /nfs/dbraw/zinc/29/44/54/598294454.db2.gz WKTSSIRQOLDVLZ-VXGBXAGGSA-N -1 3 390.448 0.473 20 0 GCADHM O=C(CN1C(=O)c2ccccc2CS1(=O)=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737876075 598294653 /nfs/dbraw/zinc/29/46/53/598294653.db2.gz DKHCVWXPHJGZPQ-UHFFFAOYSA-N -1 3 398.404 0.791 20 0 GCADHM O=C(CN1C(=O)c2ccccc2CS1(=O)=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737876075 598294654 /nfs/dbraw/zinc/29/46/54/598294654.db2.gz DKHCVWXPHJGZPQ-UHFFFAOYSA-N -1 3 398.404 0.791 20 0 GCADHM Cc1cccc(-n2cc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)nn2)c1 ZINC000737380536 598294888 /nfs/dbraw/zinc/29/48/88/598294888.db2.gz CCWCXNSUHNAZPF-UHFFFAOYSA-N -1 3 380.372 0.392 20 0 GCADHM Cc1cccc(-n2cc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)nn2)c1 ZINC000737380536 598294890 /nfs/dbraw/zinc/29/48/90/598294890.db2.gz CCWCXNSUHNAZPF-UHFFFAOYSA-N -1 3 380.372 0.392 20 0 GCADHM Cc1nc(-c2ncccn2)sc1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737467455 598294911 /nfs/dbraw/zinc/29/49/11/598294911.db2.gz PJIAMCWPJYHHLX-UHFFFAOYSA-N -1 3 398.412 0.724 20 0 GCADHM Cc1nc(-c2ncccn2)sc1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737467455 598294913 /nfs/dbraw/zinc/29/49/13/598294913.db2.gz PJIAMCWPJYHHLX-UHFFFAOYSA-N -1 3 398.412 0.724 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cc1cnn(-c2ccccc2)n1 ZINC000737769654 598294934 /nfs/dbraw/zinc/29/49/34/598294934.db2.gz AYCDKNUZQPQQBY-UHFFFAOYSA-N -1 3 380.372 0.012 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cc1cnn(-c2ccccc2)n1 ZINC000737769654 598294935 /nfs/dbraw/zinc/29/49/35/598294935.db2.gz AYCDKNUZQPQQBY-UHFFFAOYSA-N -1 3 380.372 0.012 20 0 GCADHM Cc1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)ccc1N1CCNC1=O ZINC000737243551 598295030 /nfs/dbraw/zinc/29/50/30/598295030.db2.gz UGFYDGCESUQVSV-UHFFFAOYSA-N -1 3 397.399 0.340 20 0 GCADHM Cc1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)ccc1N1CCNC1=O ZINC000737243551 598295032 /nfs/dbraw/zinc/29/50/32/598295032.db2.gz UGFYDGCESUQVSV-UHFFFAOYSA-N -1 3 397.399 0.340 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000737775149 598295683 /nfs/dbraw/zinc/29/56/83/598295683.db2.gz ZNRHZHUCJAYHFE-UHFFFAOYSA-N -1 3 397.399 0.786 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000737775149 598295685 /nfs/dbraw/zinc/29/56/85/598295685.db2.gz ZNRHZHUCJAYHFE-UHFFFAOYSA-N -1 3 397.399 0.786 20 0 GCADHM CCn1cc(NC(=S)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000736721936 598295727 /nfs/dbraw/zinc/29/57/27/598295727.db2.gz HFWKPYAZEFRZPP-UHFFFAOYSA-N -1 3 384.473 0.997 20 0 GCADHM CCn1cc(NC(=S)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000736721936 598295728 /nfs/dbraw/zinc/29/57/28/598295728.db2.gz HFWKPYAZEFRZPP-UHFFFAOYSA-N -1 3 384.473 0.997 20 0 GCADHM C[C@@]1(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)NC(=O)NC1=O ZINC000736221785 598296994 /nfs/dbraw/zinc/29/69/94/598296994.db2.gz AEPGHJQEGUDWFF-IBGZPJMESA-N -1 3 391.391 0.851 20 0 GCADHM C[C@@]1(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)NC(=O)NC1=O ZINC000736221785 598296995 /nfs/dbraw/zinc/29/69/95/598296995.db2.gz AEPGHJQEGUDWFF-IBGZPJMESA-N -1 3 391.391 0.851 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NCC(=O)N1CCc2ccccc21 ZINC000737924546 598297613 /nfs/dbraw/zinc/29/76/13/598297613.db2.gz FXKNCPKJKAYMMM-UHFFFAOYSA-N -1 3 378.392 0.951 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NCC(=O)N1CCc2ccccc21 ZINC000737924546 598297615 /nfs/dbraw/zinc/29/76/15/598297615.db2.gz FXKNCPKJKAYMMM-UHFFFAOYSA-N -1 3 378.392 0.951 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCC(=O)N1CCc2ccccc21 ZINC000737918335 598297898 /nfs/dbraw/zinc/29/78/98/598297898.db2.gz BEXHCSKIEOMFOY-UHFFFAOYSA-N -1 3 378.392 0.951 20 0 GCADHM Cc1nnc(NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(-c2nnn[n-]2)c1C ZINC000737532016 598299306 /nfs/dbraw/zinc/29/93/06/598299306.db2.gz IEMQKHKNGWHAHX-SFHVURJKSA-N -1 3 393.411 0.940 20 0 GCADHM Cc1nnc(NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(-c2nn[n-]n2)c1C ZINC000737532016 598299308 /nfs/dbraw/zinc/29/93/08/598299308.db2.gz IEMQKHKNGWHAHX-SFHVURJKSA-N -1 3 393.411 0.940 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736323904 598300102 /nfs/dbraw/zinc/30/01/02/598300102.db2.gz FSAXNGOXBOWWEX-JQWIXIFHSA-N -1 3 396.498 0.845 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736323904 598300104 /nfs/dbraw/zinc/30/01/04/598300104.db2.gz FSAXNGOXBOWWEX-JQWIXIFHSA-N -1 3 396.498 0.845 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738343597 598301171 /nfs/dbraw/zinc/30/11/71/598301171.db2.gz SEIWYBMPHGHEJZ-GHMZBOCLSA-N -1 3 398.876 0.662 20 0 GCADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735685714 598306390 /nfs/dbraw/zinc/30/63/90/598306390.db2.gz ZCEZZDVXDRPDNO-ZDUSSCGKSA-N -1 3 399.455 0.816 20 0 GCADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735685714 598306392 /nfs/dbraw/zinc/30/63/92/598306392.db2.gz ZCEZZDVXDRPDNO-ZDUSSCGKSA-N -1 3 399.455 0.816 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737879644 598306499 /nfs/dbraw/zinc/30/64/99/598306499.db2.gz WBHRYXIOGRWDCI-CHWSQXEVSA-N -1 3 386.387 0.797 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737879644 598306500 /nfs/dbraw/zinc/30/65/00/598306500.db2.gz WBHRYXIOGRWDCI-CHWSQXEVSA-N -1 3 386.387 0.797 20 0 GCADHM CNC(=O)CN1CCC(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736875792 598318001 /nfs/dbraw/zinc/31/80/01/598318001.db2.gz YNLAFQPHCMWIQT-UHFFFAOYSA-N -1 3 390.423 0.015 20 0 GCADHM CCc1nc(CCNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)no1 ZINC000736701015 598320344 /nfs/dbraw/zinc/32/03/44/598320344.db2.gz YPIKGZSUFFOLRL-UHFFFAOYSA-N -1 3 398.431 0.281 20 0 GCADHM CCc1nc(CCNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)no1 ZINC000736701015 598320346 /nfs/dbraw/zinc/32/03/46/598320346.db2.gz YPIKGZSUFFOLRL-UHFFFAOYSA-N -1 3 398.431 0.281 20 0 GCADHM CCc1nc(CCNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)no1 ZINC000736700494 598320639 /nfs/dbraw/zinc/32/06/39/598320639.db2.gz TVTNZXIMRBKADM-UHFFFAOYSA-N -1 3 398.431 0.281 20 0 GCADHM CCc1nc(CCNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)no1 ZINC000736700494 598320641 /nfs/dbraw/zinc/32/06/41/598320641.db2.gz TVTNZXIMRBKADM-UHFFFAOYSA-N -1 3 398.431 0.281 20 0 GCADHM Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1S(N)(=O)=O ZINC000737311696 598322118 /nfs/dbraw/zinc/32/21/18/598322118.db2.gz BRNJUIYVRALQIC-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1S(N)(=O)=O ZINC000737311696 598322120 /nfs/dbraw/zinc/32/21/20/598322120.db2.gz BRNJUIYVRALQIC-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H](C)N1CCOCC1 ZINC000736119273 598326513 /nfs/dbraw/zinc/32/65/13/598326513.db2.gz RWPNRBWTAVXFHX-VXGBXAGGSA-N -1 3 377.424 0.914 20 0 GCADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H](C)N1CCOCC1 ZINC000736119273 598326515 /nfs/dbraw/zinc/32/65/15/598326515.db2.gz RWPNRBWTAVXFHX-VXGBXAGGSA-N -1 3 377.424 0.914 20 0 GCADHM CC1(C)COCCN1CCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736213802 598326645 /nfs/dbraw/zinc/32/66/45/598326645.db2.gz KFCARDGAMNXEAE-UHFFFAOYSA-N -1 3 377.424 0.916 20 0 GCADHM CC1(C)COCCN1CCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736213802 598326647 /nfs/dbraw/zinc/32/66/47/598326647.db2.gz KFCARDGAMNXEAE-UHFFFAOYSA-N -1 3 377.424 0.916 20 0 GCADHM C[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735548272 598326675 /nfs/dbraw/zinc/32/66/75/598326675.db2.gz ZXTHPLIQLLSMOT-LLVKDONJSA-N -1 3 383.412 0.736 20 0 GCADHM C[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000735548272 598326677 /nfs/dbraw/zinc/32/66/77/598326677.db2.gz ZXTHPLIQLLSMOT-LLVKDONJSA-N -1 3 383.412 0.736 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCN(c2cnccn2)CC1 ZINC000738099812 598329384 /nfs/dbraw/zinc/32/93/84/598329384.db2.gz JXEYZCZXBJSALD-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCN(c2cnccn2)CC1 ZINC000738099812 598329386 /nfs/dbraw/zinc/32/93/86/598329386.db2.gz JXEYZCZXBJSALD-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000737289805 598329969 /nfs/dbraw/zinc/32/99/69/598329969.db2.gz TUIVLSXONYLWAJ-OLZOCXBDSA-N -1 3 387.444 0.339 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000737289805 598329971 /nfs/dbraw/zinc/32/99/71/598329971.db2.gz TUIVLSXONYLWAJ-OLZOCXBDSA-N -1 3 387.444 0.339 20 0 GCADHM CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736881530 598330283 /nfs/dbraw/zinc/33/02/83/598330283.db2.gz JAKDBJUILZWDAB-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736881530 598330285 /nfs/dbraw/zinc/33/02/85/598330285.db2.gz JAKDBJUILZWDAB-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C[C@@H](C)O1 ZINC000736286630 598334231 /nfs/dbraw/zinc/33/42/31/598334231.db2.gz MTOCWNSHGIXOJX-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C[C@@H](C)O1 ZINC000736286630 598334233 /nfs/dbraw/zinc/33/42/33/598334233.db2.gz MTOCWNSHGIXOJX-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)[C@@H](C)CO1 ZINC000736284630 598334614 /nfs/dbraw/zinc/33/46/14/598334614.db2.gz BXUUTTRJHPGQDQ-STQMWFEESA-N -1 3 385.428 0.698 20 0 GCADHM C[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)[C@@H](C)CO1 ZINC000736284630 598334616 /nfs/dbraw/zinc/33/46/16/598334616.db2.gz BXUUTTRJHPGQDQ-STQMWFEESA-N -1 3 385.428 0.698 20 0 GCADHM O[C@@H](COc1ccccc1)CN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738389028 598340451 /nfs/dbraw/zinc/34/04/51/598340451.db2.gz VSQTXJFAXPDHLO-CQSZACIVSA-N -1 3 382.428 0.219 20 0 GCADHM O[C@@H](COc1ccccc1)CN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738389028 598340453 /nfs/dbraw/zinc/34/04/53/598340453.db2.gz VSQTXJFAXPDHLO-CQSZACIVSA-N -1 3 382.428 0.219 20 0 GCADHM Cc1nnc2n1CCN(C(=O)C(=O)Nc1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000737532828 598346194 /nfs/dbraw/zinc/34/61/94/598346194.db2.gz LGFKCEXJYYSSBW-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM Cc1nnc2n1CCN(C(=O)C(=O)Nc1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000737532828 598346196 /nfs/dbraw/zinc/34/61/96/598346196.db2.gz LGFKCEXJYYSSBW-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000738036935 598352406 /nfs/dbraw/zinc/35/24/06/598352406.db2.gz AKNNNLSOZDXHQR-AWEZNQCLSA-N -1 3 381.400 0.052 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000738036935 598352407 /nfs/dbraw/zinc/35/24/07/598352407.db2.gz AKNNNLSOZDXHQR-AWEZNQCLSA-N -1 3 381.400 0.052 20 0 GCADHM Cc1cnn(C[C@@H]2CN(CC(=O)Nc3sccc3-c3nnn[n-]3)CCO2)c1 ZINC000737443971 598352955 /nfs/dbraw/zinc/35/29/55/598352955.db2.gz KHCXTFBKQQSIEE-LBPRGKRZSA-N -1 3 388.457 0.773 20 0 GCADHM Cc1cnn(C[C@@H]2CN(CC(=O)Nc3sccc3-c3nn[n-]n3)CCO2)c1 ZINC000737443971 598352958 /nfs/dbraw/zinc/35/29/58/598352958.db2.gz KHCXTFBKQQSIEE-LBPRGKRZSA-N -1 3 388.457 0.773 20 0 GCADHM Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737441801 598353436 /nfs/dbraw/zinc/35/34/36/598353436.db2.gz CCCDLZCBZNVGHT-MRXNPFEDSA-N -1 3 382.428 0.711 20 0 GCADHM Cc1cnn(C[C@H]2CN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737441801 598353438 /nfs/dbraw/zinc/35/34/38/598353438.db2.gz CCCDLZCBZNVGHT-MRXNPFEDSA-N -1 3 382.428 0.711 20 0 GCADHM O=C(CCN1CCO[C@H](Cn2cccn2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737842464 598353634 /nfs/dbraw/zinc/35/36/34/598353634.db2.gz CBHKCPJNXVGYKY-INIZCTEOSA-N -1 3 382.428 0.793 20 0 GCADHM O=C(CCN1CCO[C@H](Cn2cncn2)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737845191 598353663 /nfs/dbraw/zinc/35/36/63/598353663.db2.gz XTWIHGAUUDZCAI-HNNXBMFYSA-N -1 3 383.416 0.188 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000736131801 598355619 /nfs/dbraw/zinc/35/56/19/598355619.db2.gz SCAFDONQZIWLBJ-RYUDHWBXSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000736131801 598355620 /nfs/dbraw/zinc/35/56/20/598355620.db2.gz SCAFDONQZIWLBJ-RYUDHWBXSA-N -1 3 378.458 0.935 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000736934742 598357513 /nfs/dbraw/zinc/35/75/13/598357513.db2.gz CLMSVLQEJNYNON-LLVKDONJSA-N -1 3 389.420 0.204 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000736934742 598357515 /nfs/dbraw/zinc/35/75/15/598357515.db2.gz CLMSVLQEJNYNON-LLVKDONJSA-N -1 3 389.420 0.204 20 0 GCADHM COc1ccc(CN2C[C@@H](C(=O)n3ncc(-c4nnn[n-]4)c3N)CC2=O)cc1 ZINC000737090038 598358441 /nfs/dbraw/zinc/35/84/41/598358441.db2.gz ACPRBKOTDDXNAY-NSHDSACASA-N -1 3 382.384 0.343 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCC(=O)N1CCc2ccccc2C1 ZINC000737896362 598360339 /nfs/dbraw/zinc/36/03/39/598360339.db2.gz WSEKDCRSHQGIRU-UHFFFAOYSA-N -1 3 391.435 0.980 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000736182405 598361466 /nfs/dbraw/zinc/36/14/66/598361466.db2.gz DYOLOFFJLLQWFM-AWEZNQCLSA-N -1 3 396.455 0.712 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000736182405 598361468 /nfs/dbraw/zinc/36/14/68/598361468.db2.gz DYOLOFFJLLQWFM-AWEZNQCLSA-N -1 3 396.455 0.712 20 0 GCADHM Cn1cc(CN2CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000737602484 598361893 /nfs/dbraw/zinc/36/18/93/598361893.db2.gz OYAMTAUXOVFUJC-UHFFFAOYSA-N -1 3 380.456 0.877 20 0 GCADHM Cn1cc(CN2CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737602484 598361895 /nfs/dbraw/zinc/36/18/95/598361895.db2.gz OYAMTAUXOVFUJC-UHFFFAOYSA-N -1 3 380.456 0.877 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC(C2OCCO2)CC1 ZINC000738077573 598362329 /nfs/dbraw/zinc/36/23/29/598362329.db2.gz GHUBJQBIKRWQBB-UHFFFAOYSA-N -1 3 388.432 0.468 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC(C2OCCO2)CC1 ZINC000738077573 598362331 /nfs/dbraw/zinc/36/23/31/598362331.db2.gz GHUBJQBIKRWQBB-UHFFFAOYSA-N -1 3 388.432 0.468 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000736937464 598363612 /nfs/dbraw/zinc/36/36/12/598363612.db2.gz VNFFUGKWPTUDEF-LBPRGKRZSA-N -1 3 387.400 0.461 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000736937464 598363613 /nfs/dbraw/zinc/36/36/13/598363613.db2.gz VNFFUGKWPTUDEF-LBPRGKRZSA-N -1 3 387.400 0.461 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000735476379 598365611 /nfs/dbraw/zinc/36/56/11/598365611.db2.gz VACAJRPYLWSPJY-UHFFFAOYSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000735476379 598365612 /nfs/dbraw/zinc/36/56/12/598365612.db2.gz VACAJRPYLWSPJY-UHFFFAOYSA-N -1 3 375.408 0.569 20 0 GCADHM CCOCCN1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736617753 598366523 /nfs/dbraw/zinc/36/65/23/598366523.db2.gz GWWARPDAZNXTLK-KRWDZBQOSA-N -1 3 385.472 0.626 20 0 GCADHM Nc1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc(Cl)n1 ZINC000737772598 598367028 /nfs/dbraw/zinc/36/70/28/598367028.db2.gz DSSCAGGGNPYOGA-UHFFFAOYSA-N -1 3 385.819 0.855 20 0 GCADHM Nc1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc(Cl)n1 ZINC000737772598 598367029 /nfs/dbraw/zinc/36/70/29/598367029.db2.gz DSSCAGGGNPYOGA-UHFFFAOYSA-N -1 3 385.819 0.855 20 0 GCADHM O=C1[C@@H](N2CCC[C@@H](n3cncn3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738291084 598368598 /nfs/dbraw/zinc/36/85/98/598368598.db2.gz SBFOGNYFPMPNOG-CVEARBPZSA-N -1 3 379.428 0.901 20 0 GCADHM Cn1cc(CCCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737605083 598368677 /nfs/dbraw/zinc/36/86/77/598368677.db2.gz SFALDUCPARGDDA-UHFFFAOYSA-N -1 3 388.819 0.941 20 0 GCADHM Cn1cc(CCCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737605083 598368679 /nfs/dbraw/zinc/36/86/79/598368679.db2.gz SFALDUCPARGDDA-UHFFFAOYSA-N -1 3 388.819 0.941 20 0 GCADHM O=C1CCC(=O)N1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000282215146 598369230 /nfs/dbraw/zinc/36/92/30/598369230.db2.gz PWPTXRIEFKHMCV-UHFFFAOYSA-N -1 3 398.832 0.338 20 0 GCADHM O=C1CCC(=O)N1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000282215146 598369232 /nfs/dbraw/zinc/36/92/32/598369232.db2.gz PWPTXRIEFKHMCV-UHFFFAOYSA-N -1 3 398.832 0.338 20 0 GCADHM Cn1cc(CCCNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737602148 598369710 /nfs/dbraw/zinc/36/97/10/598369710.db2.gz DZLRBEJKFDFIEN-UHFFFAOYSA-N -1 3 396.459 0.460 20 0 GCADHM Cn1cc(CCCNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737602148 598369712 /nfs/dbraw/zinc/36/97/12/598369712.db2.gz DZLRBEJKFDFIEN-UHFFFAOYSA-N -1 3 396.459 0.460 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CCCN1 ZINC000738305817 598370013 /nfs/dbraw/zinc/37/00/13/598370013.db2.gz CAQNUZNVYNYTLQ-UHFFFAOYSA-N -1 3 390.347 0.396 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCCN1 ZINC000738305817 598370015 /nfs/dbraw/zinc/37/00/15/598370015.db2.gz CAQNUZNVYNYTLQ-UHFFFAOYSA-N -1 3 390.347 0.396 20 0 GCADHM COCCN1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737009316 598370070 /nfs/dbraw/zinc/37/00/70/598370070.db2.gz ZKGGSQBNLHZGFQ-LLVKDONJSA-N -1 3 384.437 0.395 20 0 GCADHM COCCN1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737009316 598370072 /nfs/dbraw/zinc/37/00/72/598370072.db2.gz ZKGGSQBNLHZGFQ-LLVKDONJSA-N -1 3 384.437 0.395 20 0 GCADHM CNC(=O)C1(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736869669 598371374 /nfs/dbraw/zinc/37/13/74/598371374.db2.gz FAVQUBKSACYZIO-QMMMGPOBSA-N -1 3 392.803 0.917 20 0 GCADHM CNC(=O)C1(C(=O)O[C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736869669 598371376 /nfs/dbraw/zinc/37/13/76/598371376.db2.gz FAVQUBKSACYZIO-QMMMGPOBSA-N -1 3 392.803 0.917 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCc1cnn(C)c1 ZINC000736634935 598371726 /nfs/dbraw/zinc/37/17/26/598371726.db2.gz KXCYMTWTMPACCS-UHFFFAOYSA-N -1 3 398.427 0.686 20 0 GCADHM Cn1cc(CCCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000737604920 598373035 /nfs/dbraw/zinc/37/30/35/598373035.db2.gz QUYNETTXYQOWPH-UHFFFAOYSA-N -1 3 388.819 0.941 20 0 GCADHM Cn1cc(CCCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000737604920 598373037 /nfs/dbraw/zinc/37/30/37/598373037.db2.gz QUYNETTXYQOWPH-UHFFFAOYSA-N -1 3 388.819 0.941 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000736186145 598376700 /nfs/dbraw/zinc/37/67/00/598376700.db2.gz XJTSBMHZFRYPMZ-BPUTZDHNSA-N -1 3 386.456 0.692 20 0 GCADHM CC[C@H](O)CN1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736382162 598376880 /nfs/dbraw/zinc/37/68/80/598376880.db2.gz LNEZFMVRSUKSEJ-AWEZNQCLSA-N -1 3 376.486 0.874 20 0 GCADHM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccncc2-c2nnn[n-]2)C1=O ZINC000736300320 598379048 /nfs/dbraw/zinc/37/90/48/598379048.db2.gz AOJJIRFMTVGKRL-NSHDSACASA-N -1 3 379.380 0.826 20 0 GCADHM C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccncc2-c2nn[n-]n2)C1=O ZINC000736300320 598379049 /nfs/dbraw/zinc/37/90/49/598379049.db2.gz AOJJIRFMTVGKRL-NSHDSACASA-N -1 3 379.380 0.826 20 0 GCADHM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccncc1-c1nnn[n-]1)C2=O ZINC000736243848 598379280 /nfs/dbraw/zinc/37/92/80/598379280.db2.gz AGYOFZPDJKUYHL-UHFFFAOYSA-N -1 3 384.400 0.123 20 0 GCADHM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccncc1-c1nn[n-]n1)C2=O ZINC000736243848 598379282 /nfs/dbraw/zinc/37/92/82/598379282.db2.gz AGYOFZPDJKUYHL-UHFFFAOYSA-N -1 3 384.400 0.123 20 0 GCADHM COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccncc2-c2nnn[n-]2)CC1=O ZINC000737077226 598379985 /nfs/dbraw/zinc/37/99/85/598379985.db2.gz PMBSFOXJWHSXJR-GFCCVEGCSA-N -1 3 393.407 0.992 20 0 GCADHM COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccncc2-c2nn[n-]n2)CC1=O ZINC000737077226 598379986 /nfs/dbraw/zinc/37/99/86/598379986.db2.gz PMBSFOXJWHSXJR-GFCCVEGCSA-N -1 3 393.407 0.992 20 0 GCADHM Cc1nc(CN2CCN(C(=O)[C@H](C)Oc3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000737476080 598383036 /nfs/dbraw/zinc/38/30/36/598383036.db2.gz APXVSZQEFADGEC-LBPRGKRZSA-N -1 3 398.427 0.670 20 0 GCADHM Cc1nc(CN2CCN(C(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000737476080 598383037 /nfs/dbraw/zinc/38/30/37/598383037.db2.gz APXVSZQEFADGEC-LBPRGKRZSA-N -1 3 398.427 0.670 20 0 GCADHM Cc1nc(CN2CCN(C(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737477144 598383165 /nfs/dbraw/zinc/38/31/65/598383165.db2.gz KKDPTKQGURZEEB-GFCCVEGCSA-N -1 3 398.427 0.670 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736510482 598384076 /nfs/dbraw/zinc/38/40/76/598384076.db2.gz XPAVKTJMNBJIDX-ZDUSSCGKSA-N -1 3 375.458 0.658 20 0 GCADHM Cc1nc(CN2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737477786 598384446 /nfs/dbraw/zinc/38/44/46/598384446.db2.gz OURSRKSLKKVMHV-UHFFFAOYSA-N -1 3 384.400 0.281 20 0 GCADHM O=C([C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)N1CCOCC1 ZINC000737791424 598388982 /nfs/dbraw/zinc/38/89/82/598388982.db2.gz KMYIIWYTULYMFN-LLVKDONJSA-N -1 3 377.836 0.990 20 0 GCADHM O=C([C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)N1CCOCC1 ZINC000737791424 598388983 /nfs/dbraw/zinc/38/89/83/598388983.db2.gz KMYIIWYTULYMFN-LLVKDONJSA-N -1 3 377.836 0.990 20 0 GCADHM O=C(NCCCN1CCCCC1=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738064554 598391296 /nfs/dbraw/zinc/39/12/96/598391296.db2.gz BSNXDBRKFRTVRR-UHFFFAOYSA-N -1 3 387.448 0.375 20 0 GCADHM O=C(NCCCN1CCCCC1=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738064554 598391298 /nfs/dbraw/zinc/39/12/98/598391298.db2.gz BSNXDBRKFRTVRR-UHFFFAOYSA-N -1 3 387.448 0.375 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1COc2ccccc2C1 ZINC000737890138 598399361 /nfs/dbraw/zinc/39/93/61/598399361.db2.gz UODBEYFCVXDDPH-CYBMUJFWSA-N -1 3 392.419 0.964 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1COc2ccccc2C1 ZINC000737890138 598399362 /nfs/dbraw/zinc/39/93/62/598399362.db2.gz UODBEYFCVXDDPH-CYBMUJFWSA-N -1 3 392.419 0.964 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2nccs2)CC1 ZINC000738039953 598401134 /nfs/dbraw/zinc/40/11/34/598401134.db2.gz QIMDUIYKUIEAEU-UHFFFAOYSA-N -1 3 398.452 0.402 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2nccs2)CC1 ZINC000738039953 598401136 /nfs/dbraw/zinc/40/11/36/598401136.db2.gz QIMDUIYKUIEAEU-UHFFFAOYSA-N -1 3 398.452 0.402 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736397006 598402098 /nfs/dbraw/zinc/40/20/98/598402098.db2.gz QBFCHPIUJBRSSW-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736397006 598402100 /nfs/dbraw/zinc/40/21/00/598402100.db2.gz QBFCHPIUJBRSSW-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CC(C)C(=O)NC1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735685683 598402137 /nfs/dbraw/zinc/40/21/37/598402137.db2.gz YOOMOFDUGAXYJC-UHFFFAOYSA-N -1 3 399.455 0.360 20 0 GCADHM CC(C)C(=O)NC1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735685683 598402138 /nfs/dbraw/zinc/40/21/38/598402138.db2.gz YOOMOFDUGAXYJC-UHFFFAOYSA-N -1 3 399.455 0.360 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-n2nccn2)cc1 ZINC000737889099 598403298 /nfs/dbraw/zinc/40/32/98/598403298.db2.gz JNSAOYZMACYCCJ-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-n2nccn2)cc1 ZINC000737889099 598403299 /nfs/dbraw/zinc/40/32/99/598403299.db2.gz JNSAOYZMACYCCJ-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM CN(CCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000736800591 598403439 /nfs/dbraw/zinc/40/34/39/598403439.db2.gz NTUIDPDSYBBXHD-UHFFFAOYSA-N -1 3 399.377 0.597 20 0 GCADHM CN(CCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000736800591 598403441 /nfs/dbraw/zinc/40/34/41/598403441.db2.gz NTUIDPDSYBBXHD-UHFFFAOYSA-N -1 3 399.377 0.597 20 0 GCADHM COCCCN(CCOC)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736980354 598404312 /nfs/dbraw/zinc/40/43/12/598404312.db2.gz DPHWUKRNIXEYPV-UHFFFAOYSA-N -1 3 376.417 0.108 20 0 GCADHM COCCCN(CCOC)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736980354 598404314 /nfs/dbraw/zinc/40/43/14/598404314.db2.gz DPHWUKRNIXEYPV-UHFFFAOYSA-N -1 3 376.417 0.108 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccco1 ZINC000736106370 598405662 /nfs/dbraw/zinc/40/56/62/598405662.db2.gz SUAXCNJJIYVXSU-NSHDSACASA-N -1 3 397.395 0.011 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccco1 ZINC000736106370 598405664 /nfs/dbraw/zinc/40/56/64/598405664.db2.gz SUAXCNJJIYVXSU-NSHDSACASA-N -1 3 397.395 0.011 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@H]1C ZINC000736104609 598405926 /nfs/dbraw/zinc/40/59/26/598405926.db2.gz HIMMFEGLMFANFI-OLZOCXBDSA-N -1 3 399.455 0.502 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1C ZINC000736104609 598405927 /nfs/dbraw/zinc/40/59/27/598405927.db2.gz HIMMFEGLMFANFI-OLZOCXBDSA-N -1 3 399.455 0.502 20 0 GCADHM CC(=O)NC1CCC(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735476199 598406015 /nfs/dbraw/zinc/40/60/15/598406015.db2.gz VESPFXOQTDCZMR-UHFFFAOYSA-N -1 3 385.428 0.160 20 0 GCADHM CC(=O)NC1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735476199 598406016 /nfs/dbraw/zinc/40/60/16/598406016.db2.gz VESPFXOQTDCZMR-UHFFFAOYSA-N -1 3 385.428 0.160 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC(=O)Nc1cccc(F)c1 ZINC000737888360 598406372 /nfs/dbraw/zinc/40/63/72/598406372.db2.gz BDFIXDOAHOBQKP-UHFFFAOYSA-N -1 3 397.370 0.491 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC(=O)Nc1cccc(F)c1 ZINC000737888360 598406375 /nfs/dbraw/zinc/40/63/75/598406375.db2.gz BDFIXDOAHOBQKP-UHFFFAOYSA-N -1 3 397.370 0.491 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(C)[C@H]1CCOC1 ZINC000736988094 598406486 /nfs/dbraw/zinc/40/64/86/598406486.db2.gz NIQMICVYPUXZFD-AWEZNQCLSA-N -1 3 391.476 0.981 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN(C)[C@H]1CCOC1 ZINC000736988094 598406488 /nfs/dbraw/zinc/40/64/88/598406488.db2.gz NIQMICVYPUXZFD-AWEZNQCLSA-N -1 3 391.476 0.981 20 0 GCADHM O=c1oc2ccccc2n1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738382525 598406889 /nfs/dbraw/zinc/40/68/89/598406889.db2.gz RLYBKIRHUMIQFR-UHFFFAOYSA-N -1 3 386.393 0.753 20 0 GCADHM O=c1oc2ccccc2n1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738382525 598406891 /nfs/dbraw/zinc/40/68/91/598406891.db2.gz RLYBKIRHUMIQFR-UHFFFAOYSA-N -1 3 386.393 0.753 20 0 GCADHM CCC(C)(C)NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736311917 598409273 /nfs/dbraw/zinc/40/92/73/598409273.db2.gz BDMTWYOVACBZGR-NSHDSACASA-N -1 3 388.428 0.833 20 0 GCADHM CCC(C)(C)NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736311917 598409274 /nfs/dbraw/zinc/40/92/74/598409274.db2.gz BDMTWYOVACBZGR-NSHDSACASA-N -1 3 388.428 0.833 20 0 GCADHM CC1CCN(C(=O)COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736276965 598409503 /nfs/dbraw/zinc/40/95/03/598409503.db2.gz JPSRMESDGGLJRL-UHFFFAOYSA-N -1 3 386.412 0.398 20 0 GCADHM CC1CCN(C(=O)COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736276965 598409504 /nfs/dbraw/zinc/40/95/04/598409504.db2.gz JPSRMESDGGLJRL-UHFFFAOYSA-N -1 3 386.412 0.398 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000735466686 598409614 /nfs/dbraw/zinc/40/96/14/598409614.db2.gz HTLKBPNRVBVPQZ-RNCFNFMXSA-N -1 3 390.425 0.658 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000735466686 598409616 /nfs/dbraw/zinc/40/96/16/598409616.db2.gz HTLKBPNRVBVPQZ-RNCFNFMXSA-N -1 3 390.425 0.658 20 0 GCADHM Cc1csc(=O)n1CCOC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737456166 598410679 /nfs/dbraw/zinc/41/06/79/598410679.db2.gz BLJLVZOUFYCQJT-UHFFFAOYSA-N -1 3 388.409 0.372 20 0 GCADHM Cc1csc(=O)n1CCOC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737456166 598410680 /nfs/dbraw/zinc/41/06/80/598410680.db2.gz BLJLVZOUFYCQJT-UHFFFAOYSA-N -1 3 388.409 0.372 20 0 GCADHM CCCCCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736452479 598411036 /nfs/dbraw/zinc/41/10/36/598411036.db2.gz WICHCWUEKNOXTE-GFCCVEGCSA-N -1 3 388.428 0.835 20 0 GCADHM CCCCCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736452479 598411038 /nfs/dbraw/zinc/41/10/38/598411038.db2.gz WICHCWUEKNOXTE-GFCCVEGCSA-N -1 3 388.428 0.835 20 0 GCADHM COC(=O)c1occc1COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736956267 598411305 /nfs/dbraw/zinc/41/13/05/598411305.db2.gz GAQUQAIKHHYAPK-UHFFFAOYSA-N -1 3 385.336 0.720 20 0 GCADHM COC(=O)c1occc1COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736956267 598411307 /nfs/dbraw/zinc/41/13/07/598411307.db2.gz GAQUQAIKHHYAPK-UHFFFAOYSA-N -1 3 385.336 0.720 20 0 GCADHM Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)n1C ZINC000737227576 598411602 /nfs/dbraw/zinc/41/16/02/598411602.db2.gz NBKCUBNZBCTYPM-UHFFFAOYSA-N -1 3 396.407 0.978 20 0 GCADHM Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)n1C ZINC000737227576 598411603 /nfs/dbraw/zinc/41/16/03/598411603.db2.gz NBKCUBNZBCTYPM-UHFFFAOYSA-N -1 3 396.407 0.978 20 0 GCADHM O=C(NCCn1c(=O)oc2ccccc21)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738095515 598414276 /nfs/dbraw/zinc/41/42/76/598414276.db2.gz XOOHYNPPZYITDE-UHFFFAOYSA-N -1 3 393.363 0.530 20 0 GCADHM O=C(NCCn1c(=O)oc2ccccc21)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738095515 598414278 /nfs/dbraw/zinc/41/42/78/598414278.db2.gz XOOHYNPPZYITDE-UHFFFAOYSA-N -1 3 393.363 0.530 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000737023874 598417863 /nfs/dbraw/zinc/41/78/63/598417863.db2.gz OGWYLMTVESPZSN-GFCCVEGCSA-N -1 3 384.400 0.285 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000737023874 598417864 /nfs/dbraw/zinc/41/78/64/598417864.db2.gz OGWYLMTVESPZSN-GFCCVEGCSA-N -1 3 384.400 0.285 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000737024653 598419526 /nfs/dbraw/zinc/41/95/26/598419526.db2.gz MEDVYBVKLWNDDK-GFCCVEGCSA-N -1 3 388.428 0.758 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000737024653 598419528 /nfs/dbraw/zinc/41/95/28/598419528.db2.gz MEDVYBVKLWNDDK-GFCCVEGCSA-N -1 3 388.428 0.758 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000738102397 598420265 /nfs/dbraw/zinc/42/02/65/598420265.db2.gz RGYRUBPGWYSPRA-INIZCTEOSA-N -1 3 399.455 0.647 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000738102397 598420267 /nfs/dbraw/zinc/42/02/67/598420267.db2.gz RGYRUBPGWYSPRA-INIZCTEOSA-N -1 3 399.455 0.647 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000738110467 598420317 /nfs/dbraw/zinc/42/03/17/598420317.db2.gz CXLKLWZBHSCGPX-INIZCTEOSA-N -1 3 399.455 0.647 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000738110467 598420318 /nfs/dbraw/zinc/42/03/18/598420318.db2.gz CXLKLWZBHSCGPX-INIZCTEOSA-N -1 3 399.455 0.647 20 0 GCADHM Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)c(-c2nnn[n-]2)c1C ZINC000737519806 598422264 /nfs/dbraw/zinc/42/22/64/598422264.db2.gz DRAHAMFDIDRNSO-UHFFFAOYSA-N -1 3 399.503 0.844 20 0 GCADHM Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)c(-c2nn[n-]n2)c1C ZINC000737519806 598422266 /nfs/dbraw/zinc/42/22/66/598422266.db2.gz DRAHAMFDIDRNSO-UHFFFAOYSA-N -1 3 399.503 0.844 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000736170260 598422500 /nfs/dbraw/zinc/42/25/00/598422500.db2.gz SDZYRIIBMGQGFM-GFCCVEGCSA-N -1 3 391.395 0.926 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCc1nnnn1-c1ccccc1 ZINC000737921941 598423143 /nfs/dbraw/zinc/42/31/43/598423143.db2.gz ZRPOLNITAMTTQG-UHFFFAOYSA-N -1 3 377.368 0.538 20 0 GCADHM Cn1c(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)nnc1C1CC1 ZINC000737592411 598425597 /nfs/dbraw/zinc/42/55/97/598425597.db2.gz OBTVMTHENRNWGX-UHFFFAOYSA-N -1 3 382.384 0.346 20 0 GCADHM Cn1c(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1 ZINC000737592411 598425598 /nfs/dbraw/zinc/42/55/98/598425598.db2.gz OBTVMTHENRNWGX-UHFFFAOYSA-N -1 3 382.384 0.346 20 0 GCADHM Cc1nnc(NCCS(=O)(=O)N2CCSCC2)c(-c2nnn[n-]2)c1C ZINC000737521490 598426459 /nfs/dbraw/zinc/42/64/59/598426459.db2.gz PLMKEPZLNKIXSQ-UHFFFAOYSA-N -1 3 384.491 0.064 20 0 GCADHM Cc1nnc(NCCS(=O)(=O)N2CCSCC2)c(-c2nn[n-]n2)c1C ZINC000737521490 598426460 /nfs/dbraw/zinc/42/64/60/598426460.db2.gz PLMKEPZLNKIXSQ-UHFFFAOYSA-N -1 3 384.491 0.064 20 0 GCADHM CN(C)CCN(Cc1ccccn1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736769930 598428511 /nfs/dbraw/zinc/42/85/11/598428511.db2.gz XKJKCJVHZBFBBE-UHFFFAOYSA-N -1 3 388.457 0.409 20 0 GCADHM CSc1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1 ZINC000737189500 598431586 /nfs/dbraw/zinc/43/15/86/598431586.db2.gz HHVSOSMTNKYYHZ-UHFFFAOYSA-N -1 3 399.440 0.545 20 0 GCADHM CSc1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1 ZINC000737189500 598431587 /nfs/dbraw/zinc/43/15/87/598431587.db2.gz HHVSOSMTNKYYHZ-UHFFFAOYSA-N -1 3 399.440 0.545 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000735561823 598432218 /nfs/dbraw/zinc/43/22/18/598432218.db2.gz MMGDDUISNQRRNK-CYBMUJFWSA-N -1 3 398.471 0.090 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000735561823 598432221 /nfs/dbraw/zinc/43/22/21/598432221.db2.gz MMGDDUISNQRRNK-CYBMUJFWSA-N -1 3 398.471 0.090 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=S)NC2CC2)CC1 ZINC000738347654 598432276 /nfs/dbraw/zinc/43/22/76/598432276.db2.gz MEZNPFYPMZXPGI-UHFFFAOYSA-N -1 3 393.498 0.210 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=S)NC2CC2)CC1 ZINC000738347654 598432278 /nfs/dbraw/zinc/43/22/78/598432278.db2.gz MEZNPFYPMZXPGI-UHFFFAOYSA-N -1 3 393.498 0.210 20 0 GCADHM CC(C)CN(CC(N)=O)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735827023 598433964 /nfs/dbraw/zinc/43/39/64/598433964.db2.gz ANUXYYQMYCMCKT-UHFFFAOYSA-N -1 3 383.416 0.218 20 0 GCADHM CC(C)CN(CC(N)=O)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735827023 598433965 /nfs/dbraw/zinc/43/39/65/598433965.db2.gz ANUXYYQMYCMCKT-UHFFFAOYSA-N -1 3 383.416 0.218 20 0 GCADHM CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736872073 598434276 /nfs/dbraw/zinc/43/42/76/598434276.db2.gz WIPKZJOVMKHNPD-CQSZACIVSA-N -1 3 395.427 0.375 20 0 GCADHM CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736872073 598434277 /nfs/dbraw/zinc/43/42/77/598434277.db2.gz WIPKZJOVMKHNPD-CQSZACIVSA-N -1 3 395.427 0.375 20 0 GCADHM C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736000945 598435756 /nfs/dbraw/zinc/43/57/56/598435756.db2.gz KRTRVIIXLLTHJT-NSHDSACASA-N -1 3 395.427 0.375 20 0 GCADHM C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736000945 598435758 /nfs/dbraw/zinc/43/57/58/598435758.db2.gz KRTRVIIXLLTHJT-NSHDSACASA-N -1 3 395.427 0.375 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736328743 598435935 /nfs/dbraw/zinc/43/59/35/598435935.db2.gz YFSUIUGWVMUOAS-MNOVXSKESA-N -1 3 397.443 0.668 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736328743 598435937 /nfs/dbraw/zinc/43/59/37/598435937.db2.gz YFSUIUGWVMUOAS-MNOVXSKESA-N -1 3 397.443 0.668 20 0 GCADHM CN(C)C(=O)CCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736747387 598436456 /nfs/dbraw/zinc/43/64/56/598436456.db2.gz RSEZBWAFQKMZII-UHFFFAOYSA-N -1 3 383.416 0.233 20 0 GCADHM CN(C)C(=O)CCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736747387 598436457 /nfs/dbraw/zinc/43/64/57/598436457.db2.gz RSEZBWAFQKMZII-UHFFFAOYSA-N -1 3 383.416 0.233 20 0 GCADHM Cc1nccn1CCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737498965 598436713 /nfs/dbraw/zinc/43/67/13/598436713.db2.gz HZFOOKRQCXSZES-UHFFFAOYSA-N -1 3 392.427 0.960 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCNc2cnccn2)cc1 ZINC000737775934 598436737 /nfs/dbraw/zinc/43/67/37/598436737.db2.gz IMTPYUMIIGUUET-UHFFFAOYSA-N -1 3 391.399 0.267 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCNc2cnccn2)cc1 ZINC000737775934 598436738 /nfs/dbraw/zinc/43/67/38/598436738.db2.gz IMTPYUMIIGUUET-UHFFFAOYSA-N -1 3 391.399 0.267 20 0 GCADHM Cn1cc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)ccc1=O ZINC000737610296 598436753 /nfs/dbraw/zinc/43/67/53/598436753.db2.gz MORDWWTYRTUZMO-UHFFFAOYSA-N -1 3 377.368 0.586 20 0 GCADHM Cn1cc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)ccc1=O ZINC000737610296 598436755 /nfs/dbraw/zinc/43/67/55/598436755.db2.gz MORDWWTYRTUZMO-UHFFFAOYSA-N -1 3 377.368 0.586 20 0 GCADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCCCC(=O)NC(N)=O)n1 ZINC000736604175 598439376 /nfs/dbraw/zinc/43/93/76/598439376.db2.gz TZKVSKOQIAMIMD-UHFFFAOYSA-N -1 3 379.402 0.506 20 0 GCADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCCCC(=O)NC(N)=O)n1 ZINC000736604175 598439378 /nfs/dbraw/zinc/43/93/78/598439378.db2.gz TZKVSKOQIAMIMD-UHFFFAOYSA-N -1 3 379.402 0.506 20 0 GCADHM COc1ccccc1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737139500 598443882 /nfs/dbraw/zinc/44/38/82/598443882.db2.gz XQWVLWHEISIJMH-UHFFFAOYSA-N -1 3 393.407 0.869 20 0 GCADHM COc1ccccc1C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737139500 598443883 /nfs/dbraw/zinc/44/38/83/598443883.db2.gz XQWVLWHEISIJMH-UHFFFAOYSA-N -1 3 393.407 0.869 20 0 GCADHM O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738085019 598444535 /nfs/dbraw/zinc/44/45/35/598444535.db2.gz CCHIZQDZIDGJJA-UHFFFAOYSA-N -1 3 387.425 0.111 20 0 GCADHM O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738085019 598444537 /nfs/dbraw/zinc/44/45/37/598444537.db2.gz CCHIZQDZIDGJJA-UHFFFAOYSA-N -1 3 387.425 0.111 20 0 GCADHM Cc1cc(CN2CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)no1 ZINC000737261626 598444608 /nfs/dbraw/zinc/44/46/08/598444608.db2.gz HBPLTVHKZLZERC-UHFFFAOYSA-N -1 3 388.457 0.981 20 0 GCADHM Cc1cc(CN2CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)no1 ZINC000737261626 598444610 /nfs/dbraw/zinc/44/46/10/598444610.db2.gz HBPLTVHKZLZERC-UHFFFAOYSA-N -1 3 388.457 0.981 20 0 GCADHM CN(C)C(=O)COc1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736748233 598445232 /nfs/dbraw/zinc/44/52/32/598445232.db2.gz UZBJWPGUJOIARO-UHFFFAOYSA-N -1 3 381.396 0.659 20 0 GCADHM CN(C)C(=O)COc1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736748233 598445234 /nfs/dbraw/zinc/44/52/34/598445234.db2.gz UZBJWPGUJOIARO-UHFFFAOYSA-N -1 3 381.396 0.659 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000737792246 598447958 /nfs/dbraw/zinc/44/79/58/598447958.db2.gz OLNQTXNPUMEWRT-MRXNPFEDSA-N -1 3 384.440 0.649 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000737792246 598447960 /nfs/dbraw/zinc/44/79/60/598447960.db2.gz OLNQTXNPUMEWRT-MRXNPFEDSA-N -1 3 384.440 0.649 20 0 GCADHM CCc1c(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cnn1C ZINC000736672106 598448489 /nfs/dbraw/zinc/44/84/89/598448489.db2.gz YOYTWWUSCQSHBC-UHFFFAOYSA-N -1 3 381.444 0.956 20 0 GCADHM CCc1c(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cnn1C ZINC000736672106 598448490 /nfs/dbraw/zinc/44/84/90/598448490.db2.gz YOYTWWUSCQSHBC-UHFFFAOYSA-N -1 3 381.444 0.956 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825164773 607357107 /nfs/dbraw/zinc/35/71/07/607357107.db2.gz ISQIVODSLPBARU-QGZVFWFLSA-N -1 3 386.368 0.313 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825164773 607357110 /nfs/dbraw/zinc/35/71/10/607357110.db2.gz ISQIVODSLPBARU-QGZVFWFLSA-N -1 3 386.368 0.313 20 0 GCADHM O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738117431 598448918 /nfs/dbraw/zinc/44/89/18/598448918.db2.gz SFMNMONCHOZPLN-UHFFFAOYSA-N -1 3 393.407 0.664 20 0 GCADHM O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738117431 598448920 /nfs/dbraw/zinc/44/89/20/598448920.db2.gz SFMNMONCHOZPLN-UHFFFAOYSA-N -1 3 393.407 0.664 20 0 GCADHM O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737974603 598450102 /nfs/dbraw/zinc/45/01/02/598450102.db2.gz PJIQUEBBPNXXMT-UHFFFAOYSA-N -1 3 395.398 0.928 20 0 GCADHM O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737974603 598450104 /nfs/dbraw/zinc/45/01/04/598450104.db2.gz PJIQUEBBPNXXMT-UHFFFAOYSA-N -1 3 395.398 0.928 20 0 GCADHM COc1cccc(N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)CC2=O)c1 ZINC000737140085 598451061 /nfs/dbraw/zinc/45/10/61/598451061.db2.gz OUCVIEHJKZWRPW-GFCCVEGCSA-N -1 3 379.380 0.806 20 0 GCADHM COc1cccc(N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)CC2=O)c1 ZINC000737140085 598451064 /nfs/dbraw/zinc/45/10/64/598451064.db2.gz OUCVIEHJKZWRPW-GFCCVEGCSA-N -1 3 379.380 0.806 20 0 GCADHM C[C@@H](COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824441812 607357265 /nfs/dbraw/zinc/35/72/65/607357265.db2.gz SNICJNIKWNYSGW-QMMMGPOBSA-N -1 3 393.347 0.887 20 0 GCADHM C[C@@H](COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824441812 607357267 /nfs/dbraw/zinc/35/72/67/607357267.db2.gz SNICJNIKWNYSGW-QMMMGPOBSA-N -1 3 393.347 0.887 20 0 GCADHM CC(C)(C)c1ccc(=O)n(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000735648396 598455876 /nfs/dbraw/zinc/45/58/76/598455876.db2.gz SGGCLWRBDQBDFL-UHFFFAOYSA-N -1 3 395.471 0.896 20 0 GCADHM CC(C)(C)c1ccc(=O)n(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000735648396 598455878 /nfs/dbraw/zinc/45/58/78/598455878.db2.gz SGGCLWRBDQBDFL-UHFFFAOYSA-N -1 3 395.471 0.896 20 0 GCADHM C[C@H](COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000824441811 607357289 /nfs/dbraw/zinc/35/72/89/607357289.db2.gz SNICJNIKWNYSGW-MRVPVSSYSA-N -1 3 393.347 0.887 20 0 GCADHM C[C@H](COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000824441811 607357290 /nfs/dbraw/zinc/35/72/90/607357290.db2.gz SNICJNIKWNYSGW-MRVPVSSYSA-N -1 3 393.347 0.887 20 0 GCADHM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737737790 598458400 /nfs/dbraw/zinc/45/84/00/598458400.db2.gz FSXHMIJNXVBODD-INIZCTEOSA-N -1 3 392.423 0.246 20 0 GCADHM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737737790 598458401 /nfs/dbraw/zinc/45/84/01/598458401.db2.gz FSXHMIJNXVBODD-INIZCTEOSA-N -1 3 392.423 0.246 20 0 GCADHM COC(=O)CSCCC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736931108 598463521 /nfs/dbraw/zinc/46/35/21/598463521.db2.gz PRJHGIOQHIOCHS-UHFFFAOYSA-N -1 3 390.469 0.812 20 0 GCADHM COC(=O)CSCCC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736931108 598463522 /nfs/dbraw/zinc/46/35/22/598463522.db2.gz PRJHGIOQHIOCHS-UHFFFAOYSA-N -1 3 390.469 0.812 20 0 GCADHM CCOc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000736626868 598464502 /nfs/dbraw/zinc/46/45/02/598464502.db2.gz UBAZVLGOQCGXJE-UHFFFAOYSA-N -1 3 395.427 0.721 20 0 GCADHM CCOc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000736626868 598464504 /nfs/dbraw/zinc/46/45/04/598464504.db2.gz UBAZVLGOQCGXJE-UHFFFAOYSA-N -1 3 395.427 0.721 20 0 GCADHM CCn1ccnc1CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736722472 598464860 /nfs/dbraw/zinc/46/48/60/598464860.db2.gz MTWVLJFNCXGVBC-UHFFFAOYSA-N -1 3 381.444 0.826 20 0 GCADHM CCn1ccnc1CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736722472 598464862 /nfs/dbraw/zinc/46/48/62/598464862.db2.gz MTWVLJFNCXGVBC-UHFFFAOYSA-N -1 3 381.444 0.826 20 0 GCADHM C[C@H](NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(=O)N(C)C ZINC000736113661 598469261 /nfs/dbraw/zinc/46/92/61/598469261.db2.gz RIBANSHBAOLRKV-NSHDSACASA-N -1 3 387.448 0.006 20 0 GCADHM C[C@H](NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(=O)N(C)C ZINC000736113661 598469263 /nfs/dbraw/zinc/46/92/63/598469263.db2.gz RIBANSHBAOLRKV-NSHDSACASA-N -1 3 387.448 0.006 20 0 GCADHM Cc1noc(CCNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737535318 598470135 /nfs/dbraw/zinc/47/01/35/598470135.db2.gz SXPZZLPURHORJJ-UHFFFAOYSA-N -1 3 398.431 0.464 20 0 GCADHM Cc1noc(CCNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737535318 598470137 /nfs/dbraw/zinc/47/01/37/598470137.db2.gz SXPZZLPURHORJJ-UHFFFAOYSA-N -1 3 398.431 0.464 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737745421 598470828 /nfs/dbraw/zinc/47/08/28/598470828.db2.gz NMFFGUNRICGSSL-CQSZACIVSA-N -1 3 383.437 0.951 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737745421 598470830 /nfs/dbraw/zinc/47/08/30/598470830.db2.gz NMFFGUNRICGSSL-CQSZACIVSA-N -1 3 383.437 0.951 20 0 GCADHM CC(=O)N[C@H](CC(=O)n1ncc(-c2nnn[n-]2)c1N)c1c(F)cccc1F ZINC000735473958 598470911 /nfs/dbraw/zinc/47/09/11/598470911.db2.gz DGPRYPFJTVNFEA-LLVKDONJSA-N -1 3 376.327 0.831 20 0 GCADHM O=C(NC[C@H]1CCCOC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738047780 598470972 /nfs/dbraw/zinc/47/09/72/598470972.db2.gz AVNWACHRVQXMQL-CYBMUJFWSA-N -1 3 386.460 0.956 20 0 GCADHM O=C(NC[C@H]1CCCOC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738047780 598470973 /nfs/dbraw/zinc/47/09/73/598470973.db2.gz AVNWACHRVQXMQL-CYBMUJFWSA-N -1 3 386.460 0.956 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743768 598472397 /nfs/dbraw/zinc/47/23/97/598472397.db2.gz JTNPCFRNHVUHKN-HNNXBMFYSA-N -1 3 384.421 0.640 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743768 598472398 /nfs/dbraw/zinc/47/23/98/598472398.db2.gz JTNPCFRNHVUHKN-HNNXBMFYSA-N -1 3 384.421 0.640 20 0 GCADHM COc1nc(C)cc(C)c1CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737160069 598473026 /nfs/dbraw/zinc/47/30/26/598473026.db2.gz RGLZIUYPJOAPMP-UHFFFAOYSA-N -1 3 395.423 0.933 20 0 GCADHM COc1nc(C)cc(C)c1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737160069 598473029 /nfs/dbraw/zinc/47/30/29/598473029.db2.gz RGLZIUYPJOAPMP-UHFFFAOYSA-N -1 3 395.423 0.933 20 0 GCADHM O=C(COC(=O)Cc1ccc(-c2nnn[n-]2)cc1)Nc1nnc([C@H]2CCCO2)o1 ZINC000737904454 598473934 /nfs/dbraw/zinc/47/39/34/598473934.db2.gz MIOYKGSQUBHQNX-GFCCVEGCSA-N -1 3 399.367 0.826 20 0 GCADHM O=C(COC(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1nnc([C@H]2CCCO2)o1 ZINC000737904454 598473935 /nfs/dbraw/zinc/47/39/35/598473935.db2.gz MIOYKGSQUBHQNX-GFCCVEGCSA-N -1 3 399.367 0.826 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736910648 598474275 /nfs/dbraw/zinc/47/42/75/598474275.db2.gz QEDVUFATSRRONT-VHSXEESVSA-N -1 3 379.760 0.811 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736910648 598474277 /nfs/dbraw/zinc/47/42/77/598474277.db2.gz QEDVUFATSRRONT-VHSXEESVSA-N -1 3 379.760 0.811 20 0 GCADHM Cc1ccc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)cc1C(N)=O ZINC000737361642 598476900 /nfs/dbraw/zinc/47/69/00/598476900.db2.gz WXLXIQRQZBBCGC-UHFFFAOYSA-N -1 3 381.400 0.903 20 0 GCADHM Cc1ccc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)cc1C(N)=O ZINC000737361642 598476901 /nfs/dbraw/zinc/47/69/01/598476901.db2.gz WXLXIQRQZBBCGC-UHFFFAOYSA-N -1 3 381.400 0.903 20 0 GCADHM CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735457848 598477830 /nfs/dbraw/zinc/47/78/30/598477830.db2.gz DNMIQVBMJZKILC-MRXNPFEDSA-N -1 3 394.391 0.735 20 0 GCADHM CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735457848 598477831 /nfs/dbraw/zinc/47/78/31/598477831.db2.gz DNMIQVBMJZKILC-MRXNPFEDSA-N -1 3 394.391 0.735 20 0 GCADHM CCS(=O)(=O)NCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736666119 598478429 /nfs/dbraw/zinc/47/84/29/598478429.db2.gz YOLLYDZGUFXEAC-UHFFFAOYSA-N -1 3 393.473 0.480 20 0 GCADHM CCS(=O)(=O)NCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736666119 598478431 /nfs/dbraw/zinc/47/84/31/598478431.db2.gz YOLLYDZGUFXEAC-UHFFFAOYSA-N -1 3 393.473 0.480 20 0 GCADHM O=C(NC[C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738052240 598478572 /nfs/dbraw/zinc/47/85/72/598478572.db2.gz SGYLIJBFAWAKRR-ZDUSSCGKSA-N -1 3 390.469 0.975 20 0 GCADHM O=C(NC[C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738052240 598478573 /nfs/dbraw/zinc/47/85/73/598478573.db2.gz SGYLIJBFAWAKRR-ZDUSSCGKSA-N -1 3 390.469 0.975 20 0 GCADHM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735475426 598479122 /nfs/dbraw/zinc/47/91/22/598479122.db2.gz VETYXYSGSAUYJR-UHFFFAOYSA-N -1 3 380.364 0.938 20 0 GCADHM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735475426 598479123 /nfs/dbraw/zinc/47/91/23/598479123.db2.gz VETYXYSGSAUYJR-UHFFFAOYSA-N -1 3 380.364 0.938 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)NC(=O)NCc1ccccc1 ZINC000736157866 598479134 /nfs/dbraw/zinc/47/91/34/598479134.db2.gz DCTBSAAGDHSOKD-NSHDSACASA-N -1 3 395.379 0.833 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)NC(=O)NCc1ccccc1 ZINC000736157866 598479135 /nfs/dbraw/zinc/47/91/35/598479135.db2.gz DCTBSAAGDHSOKD-NSHDSACASA-N -1 3 395.379 0.833 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCC(CO)CC1 ZINC000738031271 598480504 /nfs/dbraw/zinc/48/05/04/598480504.db2.gz CHIUDGCMCXRUNG-UHFFFAOYSA-N -1 3 386.460 0.644 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCC(CO)CC1 ZINC000738031271 598480506 /nfs/dbraw/zinc/48/05/06/598480506.db2.gz CHIUDGCMCXRUNG-UHFFFAOYSA-N -1 3 386.460 0.644 20 0 GCADHM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736591967 598480946 /nfs/dbraw/zinc/48/09/46/598480946.db2.gz YUNWDHVXUREWJB-ZDUSSCGKSA-N -1 3 388.384 0.363 20 0 GCADHM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736591967 598480947 /nfs/dbraw/zinc/48/09/47/598480947.db2.gz YUNWDHVXUREWJB-ZDUSSCGKSA-N -1 3 388.384 0.363 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)NC(=O)NC1CCCCC1 ZINC000736159356 598483172 /nfs/dbraw/zinc/48/31/72/598483172.db2.gz MAGKIJIDZZYGCA-SNVBAGLBSA-N -1 3 387.400 0.966 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)NC(=O)NC1CCCCC1 ZINC000736159356 598483174 /nfs/dbraw/zinc/48/31/74/598483174.db2.gz MAGKIJIDZZYGCA-SNVBAGLBSA-N -1 3 387.400 0.966 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)NC(=O)NC1CCCCC1 ZINC000736159353 598483345 /nfs/dbraw/zinc/48/33/45/598483345.db2.gz MAGKIJIDZZYGCA-JTQLQIEISA-N -1 3 387.400 0.966 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)NC(=O)NC1CCCCC1 ZINC000736159353 598483346 /nfs/dbraw/zinc/48/33/46/598483346.db2.gz MAGKIJIDZZYGCA-JTQLQIEISA-N -1 3 387.400 0.966 20 0 GCADHM O=C(Cn1nnnc1CCc1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737984799 598493592 /nfs/dbraw/zinc/49/35/92/598493592.db2.gz FIXJDOPOWJNKSN-UHFFFAOYSA-N -1 3 389.423 0.955 20 0 GCADHM O=C(Cn1nnnc1CCc1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737984799 598493593 /nfs/dbraw/zinc/49/35/93/598493593.db2.gz FIXJDOPOWJNKSN-UHFFFAOYSA-N -1 3 389.423 0.955 20 0 GCADHM COC(=O)N[C@@H](C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C(C)C ZINC000736934761 598496162 /nfs/dbraw/zinc/49/61/62/598496162.db2.gz CVCDEBRGPLQQSP-CYBMUJFWSA-N -1 3 388.432 0.291 20 0 GCADHM COC(=O)N[C@@H](C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C(C)C ZINC000736934761 598496164 /nfs/dbraw/zinc/49/61/64/598496164.db2.gz CVCDEBRGPLQQSP-CYBMUJFWSA-N -1 3 388.432 0.291 20 0 GCADHM S=C(NCCc1cccnc1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738400959 598497418 /nfs/dbraw/zinc/49/74/18/598497418.db2.gz LYHRLLXUMDLMDB-UHFFFAOYSA-N -1 3 395.496 0.896 20 0 GCADHM S=C(NCCc1cccnc1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738400959 598497420 /nfs/dbraw/zinc/49/74/20/598497420.db2.gz LYHRLLXUMDLMDB-UHFFFAOYSA-N -1 3 395.496 0.896 20 0 GCADHM O=C(CCN1CCCC1=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737844452 598498661 /nfs/dbraw/zinc/49/86/61/598498661.db2.gz UOSCZQHACSELJK-UHFFFAOYSA-N -1 3 384.444 0.359 20 0 GCADHM O=C(CCN1CCCC1=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737844452 598498663 /nfs/dbraw/zinc/49/86/63/598498663.db2.gz UOSCZQHACSELJK-UHFFFAOYSA-N -1 3 384.444 0.359 20 0 GCADHM C[C@@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736235255 598501163 /nfs/dbraw/zinc/50/11/63/598501163.db2.gz FGVJCKCQVNFQBS-ABAIWWIYSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736235255 598501165 /nfs/dbraw/zinc/50/11/65/598501165.db2.gz FGVJCKCQVNFQBS-ABAIWWIYSA-N -1 3 390.469 0.792 20 0 GCADHM CCOC(=O)N1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736600120 598508440 /nfs/dbraw/zinc/50/84/40/598508440.db2.gz JJPMWFTYAPJCDJ-UHFFFAOYSA-N -1 3 394.457 0.861 20 0 GCADHM CCOC(=O)N1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736600120 598508442 /nfs/dbraw/zinc/50/84/42/598508442.db2.gz JJPMWFTYAPJCDJ-UHFFFAOYSA-N -1 3 394.457 0.861 20 0 GCADHM C[C@](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)(C(N)=O)c1ccccc1 ZINC000736130814 598508451 /nfs/dbraw/zinc/50/84/51/598508451.db2.gz OBDAEQULPHODAV-QGZVFWFLSA-N -1 3 386.437 0.687 20 0 GCADHM C[C@](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)(C(N)=O)c1ccccc1 ZINC000736130814 598508453 /nfs/dbraw/zinc/50/84/53/598508453.db2.gz OBDAEQULPHODAV-QGZVFWFLSA-N -1 3 386.437 0.687 20 0 GCADHM C[C@H]1C(=O)NCCN1CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000736231945 598508805 /nfs/dbraw/zinc/50/88/05/598508805.db2.gz YWVGFTWGUXDOJJ-JTQLQIEISA-N -1 3 389.485 0.956 20 0 GCADHM C[C@H]1C(=O)NCCN1CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000736231945 598508807 /nfs/dbraw/zinc/50/88/07/598508807.db2.gz YWVGFTWGUXDOJJ-JTQLQIEISA-N -1 3 389.485 0.956 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCS(=O)(=O)CC1 ZINC000735550189 598509193 /nfs/dbraw/zinc/50/91/93/598509193.db2.gz FWKBNNUZFHZESW-SECBINFHSA-N -1 3 384.849 0.578 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCS(=O)(=O)CC1 ZINC000735550189 598509196 /nfs/dbraw/zinc/50/91/96/598509196.db2.gz FWKBNNUZFHZESW-SECBINFHSA-N -1 3 384.849 0.578 20 0 GCADHM NC(=O)c1cccc(CCNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737761927 598509234 /nfs/dbraw/zinc/50/92/34/598509234.db2.gz VOIZSWOKALQVPA-UHFFFAOYSA-N -1 3 386.437 0.628 20 0 GCADHM NC(=O)c1cccc(CCNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737761927 598509236 /nfs/dbraw/zinc/50/92/36/598509236.db2.gz VOIZSWOKALQVPA-UHFFFAOYSA-N -1 3 386.437 0.628 20 0 GCADHM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737749678 598509302 /nfs/dbraw/zinc/50/93/02/598509302.db2.gz ZKCRDOLYOANASK-LBPRGKRZSA-N -1 3 378.458 0.674 20 0 GCADHM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737749678 598509303 /nfs/dbraw/zinc/50/93/03/598509303.db2.gz ZKCRDOLYOANASK-LBPRGKRZSA-N -1 3 378.458 0.674 20 0 GCADHM COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736940795 598512840 /nfs/dbraw/zinc/51/28/40/598512840.db2.gz XIGUTZNFCSPEHF-HNNXBMFYSA-N -1 3 387.421 0.929 20 0 GCADHM COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736940795 598512841 /nfs/dbraw/zinc/51/28/41/598512841.db2.gz XIGUTZNFCSPEHF-HNNXBMFYSA-N -1 3 387.421 0.929 20 0 GCADHM O=C(NCCCN1C(=O)CNC1=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738066609 598515321 /nfs/dbraw/zinc/51/53/21/598515321.db2.gz RPCGSJGVSBBXLG-UHFFFAOYSA-N -1 3 378.780 0.584 20 0 GCADHM O=C(NCCCN1C(=O)CNC1=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738066609 598515323 /nfs/dbraw/zinc/51/53/23/598515323.db2.gz RPCGSJGVSBBXLG-UHFFFAOYSA-N -1 3 378.780 0.584 20 0 GCADHM CCc1c(C)sc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1-c1nnn[n-]1 ZINC000736675789 598517319 /nfs/dbraw/zinc/51/73/19/598517319.db2.gz NKJIIZYTISLZNU-UHFFFAOYSA-N -1 3 375.414 0.298 20 0 GCADHM CCc1c(C)sc(NC(=O)Cn2ccc(=O)n(C)c2=O)c1-c1nn[n-]n1 ZINC000736675789 598517320 /nfs/dbraw/zinc/51/73/20/598517320.db2.gz NKJIIZYTISLZNU-UHFFFAOYSA-N -1 3 375.414 0.298 20 0 GCADHM O=C(CN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)NCc1ccccn1 ZINC000737880746 598524648 /nfs/dbraw/zinc/52/46/48/598524648.db2.gz CDPDNBFETVFVSL-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM O=C(CN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)NCc1ccccn1 ZINC000737880746 598524649 /nfs/dbraw/zinc/52/46/49/598524649.db2.gz CDPDNBFETVFVSL-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM C[C@H]1C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736241995 598528428 /nfs/dbraw/zinc/52/84/28/598528428.db2.gz YKORHSMCILODAZ-SMDDNHRTSA-N -1 3 391.457 0.291 20 0 GCADHM C[C@H]1C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736241995 598528429 /nfs/dbraw/zinc/52/84/29/598528429.db2.gz YKORHSMCILODAZ-SMDDNHRTSA-N -1 3 391.457 0.291 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc(N2CCCC2)nn1 ZINC000738079382 598528823 /nfs/dbraw/zinc/52/88/23/598528823.db2.gz ZYGAJMPKZLBFNR-UHFFFAOYSA-N -1 3 380.416 0.494 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc(N2CCCC2)nn1 ZINC000738079382 598528824 /nfs/dbraw/zinc/52/88/24/598528824.db2.gz ZYGAJMPKZLBFNR-UHFFFAOYSA-N -1 3 380.416 0.494 20 0 GCADHM Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737513174 598529052 /nfs/dbraw/zinc/52/90/52/598529052.db2.gz HZSCGTPQNSTAMX-LBPRGKRZSA-N -1 3 396.459 0.896 20 0 GCADHM Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737513174 598529054 /nfs/dbraw/zinc/52/90/54/598529054.db2.gz HZSCGTPQNSTAMX-LBPRGKRZSA-N -1 3 396.459 0.896 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C(C)C ZINC000736937526 598534463 /nfs/dbraw/zinc/53/44/63/598534463.db2.gz WMPNYGTWFYPVDN-AWEZNQCLSA-N -1 3 388.432 0.291 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C(C)C ZINC000736937526 598534465 /nfs/dbraw/zinc/53/44/65/598534465.db2.gz WMPNYGTWFYPVDN-AWEZNQCLSA-N -1 3 388.432 0.291 20 0 GCADHM CCOC(=O)c1sc(NC(=O)[C@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000736606331 598537149 /nfs/dbraw/zinc/53/71/49/598537149.db2.gz ZNTWTQJMPNTOMG-QMMMGPOBSA-N -1 3 399.454 0.787 20 0 GCADHM CCOC(=O)c1sc(NC(=O)[C@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000736606331 598537151 /nfs/dbraw/zinc/53/71/51/598537151.db2.gz ZNTWTQJMPNTOMG-QMMMGPOBSA-N -1 3 399.454 0.787 20 0 GCADHM CN1C(=S)N=NC1CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737596356 598541916 /nfs/dbraw/zinc/54/19/16/598541916.db2.gz MPDGGTVCGHQPOM-GFCCVEGCSA-N -1 3 385.457 0.569 20 0 GCADHM COC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000736949228 598542154 /nfs/dbraw/zinc/54/21/54/598542154.db2.gz QSSQRGFIPMFYPQ-UHFFFAOYSA-N -1 3 396.363 0.727 20 0 GCADHM COC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000736949228 598542156 /nfs/dbraw/zinc/54/21/56/598542156.db2.gz QSSQRGFIPMFYPQ-UHFFFAOYSA-N -1 3 396.363 0.727 20 0 GCADHM CS(=O)(=O)CCCC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737163330 598543781 /nfs/dbraw/zinc/54/37/81/598543781.db2.gz VOWGMRFCBWVLHC-CYBMUJFWSA-N -1 3 393.425 0.340 20 0 GCADHM CS(=O)(=O)CCCC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737163330 598543782 /nfs/dbraw/zinc/54/37/82/598543782.db2.gz VOWGMRFCBWVLHC-CYBMUJFWSA-N -1 3 393.425 0.340 20 0 GCADHM CC(C)(CNC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)N1CCOCC1 ZINC000735665606 598548360 /nfs/dbraw/zinc/54/83/60/598548360.db2.gz HRUFPJRYIINWGT-UHFFFAOYSA-N -1 3 378.408 0.612 20 0 GCADHM CC(C)(CNC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)N1CCOCC1 ZINC000735665606 598548361 /nfs/dbraw/zinc/54/83/61/598548361.db2.gz HRUFPJRYIINWGT-UHFFFAOYSA-N -1 3 378.408 0.612 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N(C)CCS(C)(=O)=O)c1-c1nnn[n-]1 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CCc1nnc2ccc(N3CCN(c4ncccc4-c4nn[n-]n4)CC3)nn21 ZINC000736711437 598592132 /nfs/dbraw/zinc/59/21/32/598592132.db2.gz XZORWLPRKPBNPE-UHFFFAOYSA-N -1 3 377.416 0.588 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ncc(C(N)=O)cc1Cl ZINC000736797864 598592283 /nfs/dbraw/zinc/59/22/83/598592283.db2.gz NKOWCAYGHNVJJZ-UHFFFAOYSA-N -1 3 376.812 0.388 20 0 GCADHM C[C@H](CN1CCCC1=O)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735999456 598594313 /nfs/dbraw/zinc/59/43/13/598594313.db2.gz AOTNGHBAIDHLGE-CJNGLKHVSA-N -1 3 383.456 0.963 20 0 GCADHM NC(=O)CC1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737746523 598595390 /nfs/dbraw/zinc/59/53/90/598595390.db2.gz IKTLBNZCNACKBC-INIZCTEOSA-N -1 3 383.456 0.950 20 0 GCADHM NC(=O)CC1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737746525 598595499 /nfs/dbraw/zinc/59/54/99/598595499.db2.gz IKTLBNZCNACKBC-MRXNPFEDSA-N -1 3 383.456 0.950 20 0 GCADHM O=C(NCCNc1ncccn1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738081300 598596967 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CC(C)(C)NS(=O)(=O)CC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000735622595 598599283 /nfs/dbraw/zinc/59/92/83/598599283.db2.gz DOFVZJFHOMPXLF-UHFFFAOYSA-N -1 3 392.441 0.881 20 0 GCADHM Cc1ncc(CS(=O)(=O)C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737493035 598599768 /nfs/dbraw/zinc/59/97/68/598599768.db2.gz XHNPVDHULUMPNH-GFCCVEGCSA-N -1 3 395.466 0.986 20 0 GCADHM COc1cc(OC)c(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1OC ZINC000737052259 598600842 /nfs/dbraw/zinc/60/08/42/598600842.db2.gz PVSZBTNZHOANPN-UHFFFAOYSA-N -1 3 389.372 0.528 20 0 GCADHM COc1cc(OC)c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1OC ZINC000737052259 598600844 /nfs/dbraw/zinc/60/08/44/598600844.db2.gz PVSZBTNZHOANPN-UHFFFAOYSA-N -1 3 389.372 0.528 20 0 GCADHM CC(=O)N1CCc2cc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)ccc21 ZINC000735466010 598602094 /nfs/dbraw/zinc/60/20/94/598602094.db2.gz CTYYMZBAUJDQSB-UHFFFAOYSA-N -1 3 382.384 0.411 20 0 GCADHM CC(=O)N1CCc2cc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)ccc21 ZINC000735466010 598602097 /nfs/dbraw/zinc/60/20/97/598602097.db2.gz CTYYMZBAUJDQSB-UHFFFAOYSA-N -1 3 382.384 0.411 20 0 GCADHM CCCC(=O)N1CCC[C@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000736410120 598603680 /nfs/dbraw/zinc/60/36/80/598603680.db2.gz KUSZSWWTVSVNDK-NSHDSACASA-N -1 3 376.421 0.227 20 0 GCADHM CCCC(=O)N1CCC[C@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000736410120 598603682 /nfs/dbraw/zinc/60/36/82/598603682.db2.gz KUSZSWWTVSVNDK-NSHDSACASA-N -1 3 376.421 0.227 20 0 GCADHM C[C@H](NC(=O)C1CCCCC1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736103034 598603744 /nfs/dbraw/zinc/60/37/44/598603744.db2.gz VNVWFAJRJAXKRP-JTQLQIEISA-N -1 3 376.421 0.274 20 0 GCADHM C[C@H](NC(=O)C1CCCCC1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736103034 598603745 /nfs/dbraw/zinc/60/37/45/598603745.db2.gz VNVWFAJRJAXKRP-JTQLQIEISA-N -1 3 376.421 0.274 20 0 GCADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736174698 598603986 /nfs/dbraw/zinc/60/39/86/598603986.db2.gz NZPCQDHWQCUWDN-QMMMGPOBSA-N -1 3 379.327 0.934 20 0 GCADHM C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736174698 598603987 /nfs/dbraw/zinc/60/39/87/598603987.db2.gz NZPCQDHWQCUWDN-QMMMGPOBSA-N -1 3 379.327 0.934 20 0 GCADHM COC(=O)COc1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736930631 598604022 /nfs/dbraw/zinc/60/40/22/598604022.db2.gz HQDUQSBADFWMSU-UHFFFAOYSA-N -1 3 387.356 0.054 20 0 GCADHM COC(=O)COc1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736930631 598604023 /nfs/dbraw/zinc/60/40/23/598604023.db2.gz HQDUQSBADFWMSU-UHFFFAOYSA-N -1 3 387.356 0.054 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000737770080 598604493 /nfs/dbraw/zinc/60/44/93/598604493.db2.gz HETPTSHNEGKNRJ-ZDUSSCGKSA-N -1 3 396.411 0.237 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000737770080 598604494 /nfs/dbraw/zinc/60/44/94/598604494.db2.gz HETPTSHNEGKNRJ-ZDUSSCGKSA-N -1 3 396.411 0.237 20 0 GCADHM Cc1nn(CC(C)C)c(C)c1CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737513936 598606002 /nfs/dbraw/zinc/60/60/02/598606002.db2.gz ZIJFKVKSKBKIDZ-UHFFFAOYSA-N -1 3 387.448 0.901 20 0 GCADHM Cc1nn(CC(C)C)c(C)c1CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737513936 598606003 /nfs/dbraw/zinc/60/60/03/598606003.db2.gz ZIJFKVKSKBKIDZ-UHFFFAOYSA-N -1 3 387.448 0.901 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCNC(=O)c1cccs1 ZINC000737769999 598607729 /nfs/dbraw/zinc/60/77/29/598607729.db2.gz FDSITEDUDUODIB-UHFFFAOYSA-N -1 3 376.402 0.070 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCNC(=O)c1cccs1 ZINC000737769999 598607731 /nfs/dbraw/zinc/60/77/31/598607731.db2.gz FDSITEDUDUODIB-UHFFFAOYSA-N -1 3 376.402 0.070 20 0 GCADHM CC(C)OCc1noc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735904355 598609849 /nfs/dbraw/zinc/60/98/49/598609849.db2.gz MRCHDOPMXSHBGC-UHFFFAOYSA-N -1 3 393.429 0.995 20 0 GCADHM CC(C)OCc1noc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735904355 598609851 /nfs/dbraw/zinc/60/98/51/598609851.db2.gz MRCHDOPMXSHBGC-UHFFFAOYSA-N -1 3 393.429 0.995 20 0 GCADHM O=C(NCCCN1CCOC1=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738066916 598612408 /nfs/dbraw/zinc/61/24/08/598612408.db2.gz UJZDMKHBTWOKED-UHFFFAOYSA-N -1 3 393.791 0.417 20 0 GCADHM O=C(NCCCN1CCOC1=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738066916 598612409 /nfs/dbraw/zinc/61/24/09/598612409.db2.gz UJZDMKHBTWOKED-UHFFFAOYSA-N -1 3 393.791 0.417 20 0 GCADHM Cc1cnn([C@H]2CCCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000737441868 598613991 /nfs/dbraw/zinc/61/39/91/598613991.db2.gz CWPZAUIMBHREAO-INIZCTEOSA-N -1 3 394.439 0.965 20 0 GCADHM Cc1cnn([C@H]2CCCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000737441868 598613993 /nfs/dbraw/zinc/61/39/93/598613993.db2.gz CWPZAUIMBHREAO-INIZCTEOSA-N -1 3 394.439 0.965 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000738209890 598615944 /nfs/dbraw/zinc/61/59/44/598615944.db2.gz JCGKSZRUXDUQHM-JTQLQIEISA-N -1 3 388.457 0.756 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000738209890 598615945 /nfs/dbraw/zinc/61/59/45/598615945.db2.gz JCGKSZRUXDUQHM-JTQLQIEISA-N -1 3 388.457 0.756 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736938548 598618122 /nfs/dbraw/zinc/61/81/22/598618122.db2.gz DNJUGPDUTJDCDZ-SKDRFNHKSA-N -1 3 380.792 0.067 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736938548 598618123 /nfs/dbraw/zinc/61/81/23/598618123.db2.gz DNJUGPDUTJDCDZ-SKDRFNHKSA-N -1 3 380.792 0.067 20 0 GCADHM O=C(CCN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737838209 598618543 /nfs/dbraw/zinc/61/85/43/598618543.db2.gz KOKXINORVXFQAH-OAHLLOKOSA-N -1 3 390.469 0.847 20 0 GCADHM COCCCN(CCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000736981576 598618637 /nfs/dbraw/zinc/61/86/37/598618637.db2.gz NCTOGZAMKSZSFD-OAHLLOKOSA-N -1 3 395.485 0.771 20 0 GCADHM COCCCN(CCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000736981576 598618639 /nfs/dbraw/zinc/61/86/39/598618639.db2.gz NCTOGZAMKSZSFD-OAHLLOKOSA-N -1 3 395.485 0.771 20 0 GCADHM O=C(CN1CCC[C@@H]1[C@H](O)C(F)(F)F)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737875133 598618650 /nfs/dbraw/zinc/61/86/50/598618650.db2.gz CBXIELNJKZILRP-OCCSQVGLSA-N -1 3 384.362 0.871 20 0 GCADHM O=C(CN1CCC[C@@H]1[C@H](O)C(F)(F)F)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737875133 598618652 /nfs/dbraw/zinc/61/86/52/598618652.db2.gz CBXIELNJKZILRP-OCCSQVGLSA-N -1 3 384.362 0.871 20 0 GCADHM CCOc1ccccc1[C@H](CC(=O)n1ncc(-c2nnn[n-]2)c1N)NC(C)=O ZINC000736654271 598618795 /nfs/dbraw/zinc/61/87/95/598618795.db2.gz IOFBDXVUBPWMSZ-ZDUSSCGKSA-N -1 3 384.400 0.952 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736923349 598620594 /nfs/dbraw/zinc/62/05/94/598620594.db2.gz QWUMYLPDGDZIJC-UHFFFAOYSA-N -1 3 378.408 0.313 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736923349 598620596 /nfs/dbraw/zinc/62/05/96/598620596.db2.gz QWUMYLPDGDZIJC-UHFFFAOYSA-N -1 3 378.408 0.313 20 0 GCADHM O=C(OCc1nnnn1C1CC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738250409 598621365 /nfs/dbraw/zinc/62/13/65/598621365.db2.gz GAMYYNSCABUILU-CQSZACIVSA-N -1 3 381.400 0.900 20 0 GCADHM O=C(COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NC(=O)NC1CC1 ZINC000737909754 598622163 /nfs/dbraw/zinc/62/21/63/598622163.db2.gz WBOQTRLNMQLTMT-AWEZNQCLSA-N -1 3 399.411 0.367 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCc1n[nH]cc1Br ZINC000738332398 598622333 /nfs/dbraw/zinc/62/23/33/598622333.db2.gz XANFAVOSKBHXQR-UHFFFAOYSA-N -1 3 398.246 0.972 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCS(=O)(=O)CC1 ZINC000735549970 598626193 /nfs/dbraw/zinc/62/61/93/598626193.db2.gz CNWQBFNKMHXSPI-SNVBAGLBSA-N -1 3 398.876 0.968 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCS(=O)(=O)CC1 ZINC000735549970 598626195 /nfs/dbraw/zinc/62/61/95/598626195.db2.gz CNWQBFNKMHXSPI-SNVBAGLBSA-N -1 3 398.876 0.968 20 0 GCADHM COc1ccc([C@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)cc1 ZINC000737074729 598632875 /nfs/dbraw/zinc/63/28/75/598632875.db2.gz KCIZPMNHXINBCU-OAHLLOKOSA-N -1 3 390.425 0.668 20 0 GCADHM COc1ccc([C@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)cc1 ZINC000737074729 598632877 /nfs/dbraw/zinc/63/28/77/598632877.db2.gz KCIZPMNHXINBCU-OAHLLOKOSA-N -1 3 390.425 0.668 20 0 GCADHM CNC(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)cc1 ZINC000736877984 598633026 /nfs/dbraw/zinc/63/30/26/598633026.db2.gz RGMXPGDQFNMXTM-UHFFFAOYSA-N -1 3 387.425 0.486 20 0 GCADHM CNC(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)cc1 ZINC000736877984 598633027 /nfs/dbraw/zinc/63/30/27/598633027.db2.gz RGMXPGDQFNMXTM-UHFFFAOYSA-N -1 3 387.425 0.486 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736590970 598637464 /nfs/dbraw/zinc/63/74/64/598637464.db2.gz NEKHARIFOPMMFH-JTQLQIEISA-N -1 3 390.375 0.746 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736590970 598637465 /nfs/dbraw/zinc/63/74/65/598637465.db2.gz NEKHARIFOPMMFH-JTQLQIEISA-N -1 3 390.375 0.746 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N(CCO)Cc1ccccc1 ZINC000738164443 598637736 /nfs/dbraw/zinc/63/77/36/598637736.db2.gz ZZZKBVHKOUUBLJ-UHFFFAOYSA-N -1 3 384.371 0.965 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N(CCO)Cc1ccccc1 ZINC000738164443 598637737 /nfs/dbraw/zinc/63/77/37/598637737.db2.gz ZZZKBVHKOUUBLJ-UHFFFAOYSA-N -1 3 384.371 0.965 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735475361 598637824 /nfs/dbraw/zinc/63/78/24/598637824.db2.gz PHDQWSBKLRYUKD-NSHDSACASA-N -1 3 375.364 0.071 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735475361 598637826 /nfs/dbraw/zinc/63/78/26/598637826.db2.gz PHDQWSBKLRYUKD-NSHDSACASA-N -1 3 375.364 0.071 20 0 GCADHM O=C(CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCCC1 ZINC000738056865 598639221 /nfs/dbraw/zinc/63/92/21/598639221.db2.gz VLFVAUGKVMQKGH-UHFFFAOYSA-N -1 3 389.391 0.463 20 0 GCADHM O=C(CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCCCC1 ZINC000738056865 598639222 /nfs/dbraw/zinc/63/92/22/598639222.db2.gz VLFVAUGKVMQKGH-UHFFFAOYSA-N -1 3 389.391 0.463 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000737287148 598642243 /nfs/dbraw/zinc/64/22/43/598642243.db2.gz CAXYUAPWSOVLKM-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1CCOCC1(C)C ZINC000737287148 598642245 /nfs/dbraw/zinc/64/22/45/598642245.db2.gz CAXYUAPWSOVLKM-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM COC(=O)N1CC(NC(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821663716 607361548 /nfs/dbraw/zinc/36/15/48/607361548.db2.gz KWIFGNAMYKNYIU-UHFFFAOYSA-N -1 3 391.457 0.846 20 0 GCADHM COC(=O)N1CC(NC(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821663716 607361550 /nfs/dbraw/zinc/36/15/50/607361550.db2.gz KWIFGNAMYKNYIU-UHFFFAOYSA-N -1 3 391.457 0.846 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736883204 598643677 /nfs/dbraw/zinc/64/36/77/598643677.db2.gz OPPMNHDFDPHBBY-UHFFFAOYSA-N -1 3 381.487 0.577 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736883204 598643678 /nfs/dbraw/zinc/64/36/78/598643678.db2.gz OPPMNHDFDPHBBY-UHFFFAOYSA-N -1 3 381.487 0.577 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000738024088 598653719 /nfs/dbraw/zinc/65/37/19/598653719.db2.gz XMNJBCOKHQQWRQ-UHFFFAOYSA-N -1 3 375.820 0.447 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000738024088 598653721 /nfs/dbraw/zinc/65/37/21/598653721.db2.gz XMNJBCOKHQQWRQ-UHFFFAOYSA-N -1 3 375.820 0.447 20 0 GCADHM CNC(=O)COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1OC ZINC000736874501 598660113 /nfs/dbraw/zinc/66/01/13/598660113.db2.gz RDAGRMOSPYRQTB-UHFFFAOYSA-N -1 3 383.368 0.647 20 0 GCADHM CNC(=O)COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1OC ZINC000736874501 598660114 /nfs/dbraw/zinc/66/01/14/598660114.db2.gz RDAGRMOSPYRQTB-UHFFFAOYSA-N -1 3 383.368 0.647 20 0 GCADHM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000738085339 598671586 /nfs/dbraw/zinc/67/15/86/598671586.db2.gz FCZWYGKDRAOHLV-AWEZNQCLSA-N -1 3 394.457 0.085 20 0 GCADHM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000738085339 598671587 /nfs/dbraw/zinc/67/15/87/598671587.db2.gz FCZWYGKDRAOHLV-AWEZNQCLSA-N -1 3 394.457 0.085 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826090927 607364008 /nfs/dbraw/zinc/36/40/08/607364008.db2.gz QVGZJPUWUBHPNY-UHFFFAOYSA-N -1 3 390.381 0.143 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826090927 607364009 /nfs/dbraw/zinc/36/40/09/607364009.db2.gz QVGZJPUWUBHPNY-UHFFFAOYSA-N -1 3 390.381 0.143 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000737024579 598673894 /nfs/dbraw/zinc/67/38/94/598673894.db2.gz TVJFSDXKOMBNLN-UHFFFAOYSA-N -1 3 396.411 0.765 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000737024579 598673895 /nfs/dbraw/zinc/67/38/95/598673895.db2.gz TVJFSDXKOMBNLN-UHFFFAOYSA-N -1 3 396.411 0.765 20 0 GCADHM CN(C)C(=O)N1CCC(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825845151 607364147 /nfs/dbraw/zinc/36/41/47/607364147.db2.gz FCLVSJJKJCIESX-UHFFFAOYSA-N -1 3 386.412 0.986 20 0 GCADHM CN(C)C(=O)N1CCC(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825845151 607364148 /nfs/dbraw/zinc/36/41/48/607364148.db2.gz FCLVSJJKJCIESX-UHFFFAOYSA-N -1 3 386.412 0.986 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736883169 598683307 /nfs/dbraw/zinc/68/33/07/598683307.db2.gz NKZDQBAWYWVQOR-DJWKRKHSSA-N -1 3 393.411 0.258 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736883169 598683309 /nfs/dbraw/zinc/68/33/09/598683309.db2.gz NKZDQBAWYWVQOR-DJWKRKHSSA-N -1 3 393.411 0.258 20 0 GCADHM CS(=O)(=O)CCCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737161717 598685351 /nfs/dbraw/zinc/68/53/51/598685351.db2.gz CSWFLKGDUJNAGU-UHFFFAOYSA-N -1 3 381.458 0.967 20 0 GCADHM CS(=O)(=O)CCCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737161717 598685353 /nfs/dbraw/zinc/68/53/53/598685353.db2.gz CSWFLKGDUJNAGU-UHFFFAOYSA-N -1 3 381.458 0.967 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000736881197 598685545 /nfs/dbraw/zinc/68/55/45/598685545.db2.gz ATPXHXRUDMSBAT-PLNGDYQASA-N -1 3 393.411 0.258 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000736881197 598685546 /nfs/dbraw/zinc/68/55/46/598685546.db2.gz ATPXHXRUDMSBAT-PLNGDYQASA-N -1 3 393.411 0.258 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736512994 598686187 /nfs/dbraw/zinc/68/61/87/598686187.db2.gz VITYNHGLPNJVJG-VIFPVBQESA-N -1 3 389.434 0.204 20 0 GCADHM CC(C)(CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000735671296 598686291 /nfs/dbraw/zinc/68/62/91/598686291.db2.gz RWITYXUFBQJAAI-UHFFFAOYSA-N -1 3 384.437 0.395 20 0 GCADHM CC(C)(CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000735671296 598686294 /nfs/dbraw/zinc/68/62/94/598686294.db2.gz RWITYXUFBQJAAI-UHFFFAOYSA-N -1 3 384.437 0.395 20 0 GCADHM CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735684413 598687967 /nfs/dbraw/zinc/68/79/67/598687967.db2.gz LYQDGXTWEGQCRV-UHFFFAOYSA-N -1 3 396.448 0.931 20 0 GCADHM CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735684413 598687969 /nfs/dbraw/zinc/68/79/69/598687969.db2.gz LYQDGXTWEGQCRV-UHFFFAOYSA-N -1 3 396.448 0.931 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000738302122 598688008 /nfs/dbraw/zinc/68/80/08/598688008.db2.gz UZZJXFWLNBAIOY-OAHLLOKOSA-N -1 3 398.423 0.822 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000738302122 598688009 /nfs/dbraw/zinc/68/80/09/598688009.db2.gz UZZJXFWLNBAIOY-OAHLLOKOSA-N -1 3 398.423 0.822 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN(CC(F)(F)F)CC1 ZINC000738352942 598688944 /nfs/dbraw/zinc/68/89/44/598688944.db2.gz CQNBPEDZXFLXIX-UHFFFAOYSA-N -1 3 394.354 0.874 20 0 GCADHM CN(C)c1ncccc1CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736780650 598690342 /nfs/dbraw/zinc/69/03/42/598690342.db2.gz YWPSAWXUCHFXBI-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CN(C)c1ncccc1CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736780650 598690344 /nfs/dbraw/zinc/69/03/44/598690344.db2.gz YWPSAWXUCHFXBI-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CNC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000736883735 598690406 /nfs/dbraw/zinc/69/04/06/598690406.db2.gz YHMZTJJHXIDIPS-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737764669 598690588 /nfs/dbraw/zinc/69/05/88/598690588.db2.gz MWDOOOKQHRJPMP-CYBMUJFWSA-N -1 3 378.458 0.326 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764669 598690589 /nfs/dbraw/zinc/69/05/89/598690589.db2.gz MWDOOOKQHRJPMP-CYBMUJFWSA-N -1 3 378.458 0.326 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738018512 598690652 /nfs/dbraw/zinc/69/06/52/598690652.db2.gz BREIEZFNIXDTQL-ZDUSSCGKSA-N -1 3 380.405 0.438 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737766326 598690964 /nfs/dbraw/zinc/69/09/64/598690964.db2.gz ZLUHZIIANWTTIJ-NSHDSACASA-N -1 3 396.498 0.486 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737766326 598690962 /nfs/dbraw/zinc/69/09/62/598690962.db2.gz ZLUHZIIANWTTIJ-NSHDSACASA-N -1 3 396.498 0.486 20 0 GCADHM COC(=O)CC1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736912303 598691732 /nfs/dbraw/zinc/69/17/32/598691732.db2.gz PSXWZUTUILQJOV-UHFFFAOYSA-N -1 3 383.405 0.970 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000738321034 598691950 /nfs/dbraw/zinc/69/19/50/598691950.db2.gz VHXSLXIORJFFSA-SNVBAGLBSA-N -1 3 395.420 0.184 20 0 GCADHM C[C@@](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)(C(N)=O)c1ccccc1 ZINC000736129631 598692352 /nfs/dbraw/zinc/69/23/52/598692352.db2.gz HJVIRXZJWDRPFQ-INIZCTEOSA-N -1 3 390.400 0.685 20 0 GCADHM C[C@@](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)(C(N)=O)c1ccccc1 ZINC000736129631 598692354 /nfs/dbraw/zinc/69/23/54/598692354.db2.gz HJVIRXZJWDRPFQ-INIZCTEOSA-N -1 3 390.400 0.685 20 0 GCADHM Cc1cc(C)n(C[C@@H]2CN(C(=O)COc3ccccc3-c3nnn[n-]3)CCO2)n1 ZINC000737257694 598692899 /nfs/dbraw/zinc/69/28/99/598692899.db2.gz TZKSSHMFQKMPON-HNNXBMFYSA-N -1 3 397.439 0.986 20 0 GCADHM Cc1cc(C)n(C[C@@H]2CN(C(=O)COc3ccccc3-c3nn[n-]n3)CCO2)n1 ZINC000737257694 598692901 /nfs/dbraw/zinc/69/29/01/598692901.db2.gz TZKSSHMFQKMPON-HNNXBMFYSA-N -1 3 397.439 0.986 20 0 GCADHM O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738341782 598693509 /nfs/dbraw/zinc/69/35/09/598693509.db2.gz FNIXDVSLWRWLHX-QMMMGPOBSA-N -1 3 394.354 0.921 20 0 GCADHM O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738341782 598693510 /nfs/dbraw/zinc/69/35/10/598693510.db2.gz FNIXDVSLWRWLHX-QMMMGPOBSA-N -1 3 394.354 0.921 20 0 GCADHM NC(=O)c1cccc(CCNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737761066 598693533 /nfs/dbraw/zinc/69/35/33/598693533.db2.gz PHWUSGACLOCEBV-UHFFFAOYSA-N -1 3 390.400 0.626 20 0 GCADHM NC(=O)c1cccc(CCNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737761066 598693534 /nfs/dbraw/zinc/69/35/34/598693534.db2.gz PHWUSGACLOCEBV-UHFFFAOYSA-N -1 3 390.400 0.626 20 0 GCADHM Cc1noc([C@H](C)N2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737533977 598693563 /nfs/dbraw/zinc/69/35/63/598693563.db2.gz MUTRILFVVQTCSD-LBPRGKRZSA-N -1 3 397.443 0.875 20 0 GCADHM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737729661 598693545 /nfs/dbraw/zinc/69/35/45/598693545.db2.gz ARWRFYFYHCNGSL-AWEZNQCLSA-N -1 3 390.400 0.381 20 0 GCADHM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737729661 598693546 /nfs/dbraw/zinc/69/35/46/598693546.db2.gz ARWRFYFYHCNGSL-AWEZNQCLSA-N -1 3 390.400 0.381 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738341780 598693633 /nfs/dbraw/zinc/69/36/33/598693633.db2.gz FNIXDVSLWRWLHX-MRVPVSSYSA-N -1 3 394.354 0.921 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738341780 598693636 /nfs/dbraw/zinc/69/36/36/598693636.db2.gz FNIXDVSLWRWLHX-MRVPVSSYSA-N -1 3 394.354 0.921 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737533765 598693713 /nfs/dbraw/zinc/69/37/13/598693713.db2.gz IUPHLDVHSLFAHX-GFCCVEGCSA-N -1 3 398.427 0.842 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN(c2cccnn2)CC1 ZINC000738355803 598694267 /nfs/dbraw/zinc/69/42/67/598694267.db2.gz TVZNSFPRNXHBKR-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCCC[C@@H]1C1OCCO1 ZINC000738356231 598694595 /nfs/dbraw/zinc/69/45/95/598694595.db2.gz ZNSHFHWDYIVEOK-CYBMUJFWSA-N -1 3 383.405 0.922 20 0 GCADHM Cc1nc(CN2CCCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)no1 ZINC000737476762 598694688 /nfs/dbraw/zinc/69/46/88/598694688.db2.gz IJDDYTSAYDBQDF-UHFFFAOYSA-N -1 3 398.427 0.671 20 0 GCADHM Cc1nc(CN2CCCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)no1 ZINC000737476762 598694690 /nfs/dbraw/zinc/69/46/90/598694690.db2.gz IJDDYTSAYDBQDF-UHFFFAOYSA-N -1 3 398.427 0.671 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736884401 598694985 /nfs/dbraw/zinc/69/49/85/598694985.db2.gz TWGDDTMTUWQJOJ-UHFFFAOYSA-N -1 3 378.458 0.340 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736884401 598694987 /nfs/dbraw/zinc/69/49/87/598694987.db2.gz TWGDDTMTUWQJOJ-UHFFFAOYSA-N -1 3 378.458 0.340 20 0 GCADHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736188952 598696000 /nfs/dbraw/zinc/69/60/00/598696000.db2.gz MYDMCMSISNMGCW-JOYOIKCWSA-N -1 3 399.473 0.931 20 0 GCADHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736188952 598696002 /nfs/dbraw/zinc/69/60/02/598696002.db2.gz MYDMCMSISNMGCW-JOYOIKCWSA-N -1 3 399.473 0.931 20 0 GCADHM Cn1cc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737603140 598700544 /nfs/dbraw/zinc/70/05/44/598700544.db2.gz BOUOCZAATWMOFX-HNNXBMFYSA-N -1 3 380.412 0.694 20 0 GCADHM Cn1cc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737603140 598700546 /nfs/dbraw/zinc/70/05/46/598700546.db2.gz BOUOCZAATWMOFX-HNNXBMFYSA-N -1 3 380.412 0.694 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1=O ZINC000736397670 598700852 /nfs/dbraw/zinc/70/08/52/598700852.db2.gz UOTMTWXLIUASLY-INIZCTEOSA-N -1 3 376.348 0.770 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1=O ZINC000736397670 598700853 /nfs/dbraw/zinc/70/08/53/598700853.db2.gz UOTMTWXLIUASLY-INIZCTEOSA-N -1 3 376.348 0.770 20 0 GCADHM CN1CCN(C(=O)CCNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736855470 598701941 /nfs/dbraw/zinc/70/19/41/598701941.db2.gz CFGZOYRRPCPOJG-UHFFFAOYSA-N -1 3 389.485 0.239 20 0 GCADHM CNC(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736871999 598705541 /nfs/dbraw/zinc/70/55/41/598705541.db2.gz VNBRAPGDDLBXRT-PWSUYJOCSA-N -1 3 375.433 0.862 20 0 GCADHM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736871094 598711102 /nfs/dbraw/zinc/71/11/02/598711102.db2.gz ORXZAXHTSFKVLI-SECBINFHSA-N -1 3 384.849 0.667 20 0 GCADHM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736871094 598711104 /nfs/dbraw/zinc/71/11/04/598711104.db2.gz ORXZAXHTSFKVLI-SECBINFHSA-N -1 3 384.849 0.667 20 0 GCADHM CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736862238 598711318 /nfs/dbraw/zinc/71/13/18/598711318.db2.gz AKBYYHFEPUWRRG-SNVBAGLBSA-N -1 3 385.881 0.044 20 0 GCADHM CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736862238 598711319 /nfs/dbraw/zinc/71/13/19/598711319.db2.gz AKBYYHFEPUWRRG-SNVBAGLBSA-N -1 3 385.881 0.044 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000738302341 598711580 /nfs/dbraw/zinc/71/15/80/598711580.db2.gz JZFIDUPCFIZYJH-HNNXBMFYSA-N -1 3 390.469 0.783 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000738302341 598711581 /nfs/dbraw/zinc/71/15/81/598711581.db2.gz JZFIDUPCFIZYJH-HNNXBMFYSA-N -1 3 390.469 0.783 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCn2c(nnc2C2CC2)C1 ZINC000738328995 598712688 /nfs/dbraw/zinc/71/26/88/598712688.db2.gz IVQKHYTWHJHQIO-UHFFFAOYSA-N -1 3 386.441 0.681 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCn2c(nnc2C2CC2)C1 ZINC000738328995 598712690 /nfs/dbraw/zinc/71/26/90/598712690.db2.gz IVQKHYTWHJHQIO-UHFFFAOYSA-N -1 3 386.441 0.681 20 0 GCADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCNC1=O ZINC000736155286 598714649 /nfs/dbraw/zinc/71/46/49/598714649.db2.gz LTMJZMVFIUPMFH-VIFPVBQESA-N -1 3 376.398 0.442 20 0 GCADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCNC1=O ZINC000736155286 598714650 /nfs/dbraw/zinc/71/46/50/598714650.db2.gz LTMJZMVFIUPMFH-VIFPVBQESA-N -1 3 376.398 0.442 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)cn1 ZINC000736878781 598715064 /nfs/dbraw/zinc/71/50/64/598715064.db2.gz ZYOLOAKXWKXSGA-UHFFFAOYSA-N -1 3 399.367 0.627 20 0 GCADHM CN(C)c1nc(N)nc(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736777734 598715201 /nfs/dbraw/zinc/71/52/01/598715201.db2.gz BPUPYBWBBWIDNB-UHFFFAOYSA-N -1 3 387.429 0.535 20 0 GCADHM CN(C)c1nc(N)nc(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736777734 598715203 /nfs/dbraw/zinc/71/52/03/598715203.db2.gz BPUPYBWBBWIDNB-UHFFFAOYSA-N -1 3 387.429 0.535 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736876989 598715254 /nfs/dbraw/zinc/71/52/54/598715254.db2.gz GNFURVSAYAHEHJ-UHFFFAOYSA-N -1 3 381.352 0.417 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736876989 598715256 /nfs/dbraw/zinc/71/52/56/598715256.db2.gz GNFURVSAYAHEHJ-UHFFFAOYSA-N -1 3 381.352 0.417 20 0 GCADHM O=C(COC(=O)CSc1ccc(-c2nnn[n-]2)cc1)NC[C@H]1CCCO1 ZINC000737905239 598715789 /nfs/dbraw/zinc/71/57/89/598715789.db2.gz VUKGKQTTYWIMQH-GFCCVEGCSA-N -1 3 377.426 0.797 20 0 GCADHM O=C(COC(=O)CSc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCCO1 ZINC000737905239 598715791 /nfs/dbraw/zinc/71/57/91/598715791.db2.gz VUKGKQTTYWIMQH-GFCCVEGCSA-N -1 3 377.426 0.797 20 0 GCADHM O=C(COC(=O)CSc1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1CCCO1 ZINC000737905240 598715862 /nfs/dbraw/zinc/71/58/62/598715862.db2.gz VUKGKQTTYWIMQH-LBPRGKRZSA-N -1 3 377.426 0.797 20 0 GCADHM O=C(COC(=O)CSc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCCO1 ZINC000737905240 598715863 /nfs/dbraw/zinc/71/58/63/598715863.db2.gz VUKGKQTTYWIMQH-LBPRGKRZSA-N -1 3 377.426 0.797 20 0 GCADHM CCN(CC(=O)OC)CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736511620 598722266 /nfs/dbraw/zinc/72/22/66/598722266.db2.gz DYIQOICDKUWFHX-UHFFFAOYSA-N -1 3 387.400 0.083 20 0 GCADHM CCN(CC(=O)OC)CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736511620 598722268 /nfs/dbraw/zinc/72/22/68/598722268.db2.gz DYIQOICDKUWFHX-UHFFFAOYSA-N -1 3 387.400 0.083 20 0 GCADHM CCn1nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1=O ZINC000736728618 598724630 /nfs/dbraw/zinc/72/46/30/598724630.db2.gz NCCFYRZOQISKMU-SNVBAGLBSA-N -1 3 383.368 0.627 20 0 GCADHM CCn1nc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1=O ZINC000736728618 598724632 /nfs/dbraw/zinc/72/46/32/598724632.db2.gz NCCFYRZOQISKMU-SNVBAGLBSA-N -1 3 383.368 0.627 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@@H]1CCCC[C@@H]1O ZINC000738032598 598726293 /nfs/dbraw/zinc/72/62/93/598726293.db2.gz OUYVPCPIANVVJI-CABCVRRESA-N -1 3 386.460 0.833 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@@H]1CCCC[C@@H]1O ZINC000738032598 598726295 /nfs/dbraw/zinc/72/62/95/598726295.db2.gz OUYVPCPIANVVJI-CABCVRRESA-N -1 3 386.460 0.833 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)ccc1F ZINC000737273226 598728153 /nfs/dbraw/zinc/72/81/53/598728153.db2.gz ZOIJETHFIUAIAD-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)ccc1F ZINC000737273226 598728155 /nfs/dbraw/zinc/72/81/55/598728155.db2.gz ZOIJETHFIUAIAD-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CC1 ZINC000736885259 598729642 /nfs/dbraw/zinc/72/96/42/598729642.db2.gz ZYDBIUKJWMLVEF-UHFFFAOYSA-N -1 3 395.445 0.421 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000736885259 598729643 /nfs/dbraw/zinc/72/96/43/598729643.db2.gz ZYDBIUKJWMLVEF-UHFFFAOYSA-N -1 3 395.445 0.421 20 0 GCADHM C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736222485 598732599 /nfs/dbraw/zinc/73/25/99/598732599.db2.gz HOZULNXDDWKDDH-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736222485 598732600 /nfs/dbraw/zinc/73/26/00/598732600.db2.gz HOZULNXDDWKDDH-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737311997 598732803 /nfs/dbraw/zinc/73/28/03/598732803.db2.gz FUUSJMCLBPHESD-UHFFFAOYSA-N -1 3 393.407 0.660 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737311997 598732805 /nfs/dbraw/zinc/73/28/05/598732805.db2.gz FUUSJMCLBPHESD-UHFFFAOYSA-N -1 3 393.407 0.660 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCCC[C@H]1C1OCCO1 ZINC000738077543 598733011 /nfs/dbraw/zinc/73/30/11/598733011.db2.gz FJGMLAFXHKPVTA-ZDUSSCGKSA-N -1 3 388.432 0.611 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCCC[C@H]1C1OCCO1 ZINC000738077543 598733012 /nfs/dbraw/zinc/73/30/12/598733012.db2.gz FJGMLAFXHKPVTA-ZDUSSCGKSA-N -1 3 388.432 0.611 20 0 GCADHM COCCc1noc(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000737014224 598733441 /nfs/dbraw/zinc/73/34/41/598733441.db2.gz NYJSADAJGFNXDA-QGZVFWFLSA-N -1 3 398.383 0.406 20 0 GCADHM COCCc1noc(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000737014224 598733443 /nfs/dbraw/zinc/73/34/43/598733443.db2.gz NYJSADAJGFNXDA-QGZVFWFLSA-N -1 3 398.383 0.406 20 0 GCADHM COCCc1noc(CN2C(=O)N[C@@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000737015715 598733547 /nfs/dbraw/zinc/73/35/47/598733547.db2.gz ZOUVPXLMLCSLAH-KRWDZBQOSA-N -1 3 398.383 0.406 20 0 GCADHM COCCc1noc(CN2C(=O)N[C@@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737015715 598733548 /nfs/dbraw/zinc/73/35/48/598733548.db2.gz ZOUVPXLMLCSLAH-KRWDZBQOSA-N -1 3 398.383 0.406 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCn2c(C)nnc2C1 ZINC000736636200 598733779 /nfs/dbraw/zinc/73/37/79/598733779.db2.gz PHVDWRQHZOUICC-UHFFFAOYSA-N -1 3 397.399 0.146 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2c(C)nnc2C1 ZINC000736636200 598733780 /nfs/dbraw/zinc/73/37/80/598733780.db2.gz PHVDWRQHZOUICC-UHFFFAOYSA-N -1 3 397.399 0.146 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC000738177366 598734700 /nfs/dbraw/zinc/73/47/00/598734700.db2.gz JMUDVZFPBLGWAV-OAHLLOKOSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC000738177366 598734701 /nfs/dbraw/zinc/73/47/01/598734701.db2.gz JMUDVZFPBLGWAV-OAHLLOKOSA-N -1 3 397.439 0.809 20 0 GCADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737553362 598735825 /nfs/dbraw/zinc/73/58/25/598735825.db2.gz USEIJDAWCWRCKP-UHFFFAOYSA-N -1 3 396.367 0.679 20 0 GCADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737553362 598735827 /nfs/dbraw/zinc/73/58/27/598735827.db2.gz USEIJDAWCWRCKP-UHFFFAOYSA-N -1 3 396.367 0.679 20 0 GCADHM CCOC(=O)N[C@@H](C(=O)OCCNc1ncccc1-c1nnn[n-]1)C(C)C ZINC000736601188 598736458 /nfs/dbraw/zinc/73/64/58/598736458.db2.gz SOCFSXGWUUIPHS-GFCCVEGCSA-N -1 3 377.405 0.988 20 0 GCADHM CCOC(=O)N[C@@H](C(=O)OCCNc1ncccc1-c1nn[n-]n1)C(C)C ZINC000736601188 598736459 /nfs/dbraw/zinc/73/64/59/598736459.db2.gz SOCFSXGWUUIPHS-GFCCVEGCSA-N -1 3 377.405 0.988 20 0 GCADHM O=C(Cn1ncc2ccccc2c1=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737984847 598738866 /nfs/dbraw/zinc/73/88/66/598738866.db2.gz HVRJRNYEYKEPMS-UHFFFAOYSA-N -1 3 392.379 0.627 20 0 GCADHM O=C(Cn1ncc2ccccc2c1=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737984847 598738867 /nfs/dbraw/zinc/73/88/67/598738867.db2.gz HVRJRNYEYKEPMS-UHFFFAOYSA-N -1 3 392.379 0.627 20 0 GCADHM NC(=O)COc1ccccc1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737754706 598739033 /nfs/dbraw/zinc/73/90/33/598739033.db2.gz ZFVYNRSIUZQLNF-UHFFFAOYSA-N -1 3 383.368 0.395 20 0 GCADHM NC(=O)COc1ccccc1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737754706 598739035 /nfs/dbraw/zinc/73/90/35/598739035.db2.gz ZFVYNRSIUZQLNF-UHFFFAOYSA-N -1 3 383.368 0.395 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736167303 598743122 /nfs/dbraw/zinc/74/31/22/598743122.db2.gz FAZBYTVCVBBEHQ-SKDRFNHKSA-N -1 3 398.345 0.913 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736181835 598743175 /nfs/dbraw/zinc/74/31/75/598743175.db2.gz BLJJFYVWHMWQQV-GXSJLCMTSA-N -1 3 398.345 0.913 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736181835 598743177 /nfs/dbraw/zinc/74/31/77/598743177.db2.gz BLJJFYVWHMWQQV-GXSJLCMTSA-N -1 3 398.345 0.913 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737444642 598743739 /nfs/dbraw/zinc/74/37/39/598743739.db2.gz NWUYEGCPTRTQMH-INIZCTEOSA-N -1 3 383.412 0.678 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737444642 598743740 /nfs/dbraw/zinc/74/37/40/598743740.db2.gz NWUYEGCPTRTQMH-INIZCTEOSA-N -1 3 383.412 0.678 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737759467 598743759 /nfs/dbraw/zinc/74/37/59/598743759.db2.gz CJGAZVQFRGQDJV-CQSZACIVSA-N -1 3 377.408 0.974 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737759467 598743762 /nfs/dbraw/zinc/74/37/62/598743762.db2.gz CJGAZVQFRGQDJV-CQSZACIVSA-N -1 3 377.408 0.974 20 0 GCADHM C[C@H](C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)S(C)(=O)=O ZINC000735517100 598745383 /nfs/dbraw/zinc/74/53/83/598745383.db2.gz AEEQQDNKDRWDLD-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736909580 598750014 /nfs/dbraw/zinc/75/00/14/598750014.db2.gz JRGISYTWHYLIDU-NSHDSACASA-N -1 3 378.776 0.623 20 0 GCADHM COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736909580 598750015 /nfs/dbraw/zinc/75/00/15/598750015.db2.gz JRGISYTWHYLIDU-NSHDSACASA-N -1 3 378.776 0.623 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000735732501 598754204 /nfs/dbraw/zinc/75/42/04/598754204.db2.gz AGZGMJBPMFWJSP-SMDDNHRTSA-N -1 3 394.457 0.160 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000735732501 598754205 /nfs/dbraw/zinc/75/42/05/598754205.db2.gz AGZGMJBPMFWJSP-SMDDNHRTSA-N -1 3 394.457 0.160 20 0 GCADHM O=C(c1ccnc(C2CC2)n1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738290773 598755446 /nfs/dbraw/zinc/75/54/46/598755446.db2.gz UGYCEWOCOOVMIP-UHFFFAOYSA-N -1 3 377.412 0.892 20 0 GCADHM O=C(c1ccnc(C2CC2)n1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738290773 598755448 /nfs/dbraw/zinc/75/54/48/598755448.db2.gz UGYCEWOCOOVMIP-UHFFFAOYSA-N -1 3 377.412 0.892 20 0 GCADHM CN(CCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)CC(F)(F)F ZINC000736800340 598756915 /nfs/dbraw/zinc/75/69/15/598756915.db2.gz KFLAHWXFSVOXDI-UHFFFAOYSA-N -1 3 378.380 0.780 20 0 GCADHM CN(CCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)CC(F)(F)F ZINC000736800340 598756916 /nfs/dbraw/zinc/75/69/16/598756916.db2.gz KFLAHWXFSVOXDI-UHFFFAOYSA-N -1 3 378.380 0.780 20 0 GCADHM CN(Cc1cc[nH]n1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736813903 598758947 /nfs/dbraw/zinc/75/89/47/598758947.db2.gz MWAYOLNYZSTWCD-UHFFFAOYSA-N -1 3 382.432 0.795 20 0 GCADHM CN(Cc1cc[nH]n1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736813903 598758948 /nfs/dbraw/zinc/75/89/48/598758948.db2.gz MWAYOLNYZSTWCD-UHFFFAOYSA-N -1 3 382.432 0.795 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)Cc1cc[nH]n1 ZINC000735904894 598760659 /nfs/dbraw/zinc/76/06/59/598760659.db2.gz VYOCBBJXVXEPNT-UHFFFAOYSA-N -1 3 384.400 0.974 20 0 GCADHM Cc1nc([C@@H]2CN(CCC(=O)Nc3ccccc3-c3nnn[n-]3)CCO2)no1 ZINC000737473223 598760937 /nfs/dbraw/zinc/76/09/37/598760937.db2.gz AYLYQTRDBXFCBO-AWEZNQCLSA-N -1 3 384.400 0.960 20 0 GCADHM Cc1nc([C@@H]2CN(CCC(=O)Nc3ccccc3-c3nn[n-]n3)CCO2)no1 ZINC000737473223 598760938 /nfs/dbraw/zinc/76/09/38/598760938.db2.gz AYLYQTRDBXFCBO-AWEZNQCLSA-N -1 3 384.400 0.960 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 ZINC000822627830 607366414 /nfs/dbraw/zinc/36/64/14/607366414.db2.gz RBIJMCIWMAWQKH-UHFFFAOYSA-N -1 3 394.439 0.882 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1 ZINC000822627830 607366416 /nfs/dbraw/zinc/36/64/16/607366416.db2.gz RBIJMCIWMAWQKH-UHFFFAOYSA-N -1 3 394.439 0.882 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cn1ncn2nccc2c1=O ZINC000735661591 598762257 /nfs/dbraw/zinc/76/22/57/598762257.db2.gz VFTMYRYDPJCKOE-UHFFFAOYSA-N -1 3 382.388 0.266 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cn1ncn2nccc2c1=O ZINC000735661591 598762259 /nfs/dbraw/zinc/76/22/59/598762259.db2.gz VFTMYRYDPJCKOE-UHFFFAOYSA-N -1 3 382.388 0.266 20 0 GCADHM CC(C)CN(C(=O)Cn1ncn2nccc2c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735819101 598762503 /nfs/dbraw/zinc/76/25/03/598762503.db2.gz SCDMVMKKJVPQAI-UHFFFAOYSA-N -1 3 393.411 0.760 20 0 GCADHM CC(C)CN(C(=O)Cn1ncn2nccc2c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735819101 598762504 /nfs/dbraw/zinc/76/25/04/598762504.db2.gz SCDMVMKKJVPQAI-UHFFFAOYSA-N -1 3 393.411 0.760 20 0 GCADHM NC(=O)c1ccc(CNC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000822885432 607366483 /nfs/dbraw/zinc/36/64/83/607366483.db2.gz PCFUXIKWAMQIPV-UHFFFAOYSA-N -1 3 397.395 0.984 20 0 GCADHM NC(=O)c1ccc(CNC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)o1 ZINC000822885432 607366485 /nfs/dbraw/zinc/36/64/85/607366485.db2.gz PCFUXIKWAMQIPV-UHFFFAOYSA-N -1 3 397.395 0.984 20 0 GCADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCS[C@H](C)C3)CC2)o1 ZINC000737467030 598767009 /nfs/dbraw/zinc/76/70/09/598767009.db2.gz KAZLSYXHQSHWBO-LLVKDONJSA-N -1 3 392.489 0.249 20 0 GCADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCS[C@H](C)C3)CC2)o1 ZINC000737467030 598767011 /nfs/dbraw/zinc/76/70/11/598767011.db2.gz KAZLSYXHQSHWBO-LLVKDONJSA-N -1 3 392.489 0.249 20 0 GCADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCS[C@@H](C)C3)CC2)o1 ZINC000737467031 598767037 /nfs/dbraw/zinc/76/70/37/598767037.db2.gz KAZLSYXHQSHWBO-NSHDSACASA-N -1 3 392.489 0.249 20 0 GCADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCS[C@@H](C)C3)CC2)o1 ZINC000737467031 598767039 /nfs/dbraw/zinc/76/70/39/598767039.db2.gz KAZLSYXHQSHWBO-NSHDSACASA-N -1 3 392.489 0.249 20 0 GCADHM COCCc1noc(CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737012779 598768124 /nfs/dbraw/zinc/76/81/24/598768124.db2.gz AUDYGAZJPGWINC-UHFFFAOYSA-N -1 3 389.441 0.988 20 0 GCADHM COCCc1noc(CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737012779 598768126 /nfs/dbraw/zinc/76/81/26/598768126.db2.gz AUDYGAZJPGWINC-UHFFFAOYSA-N -1 3 389.441 0.988 20 0 GCADHM CN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736737699 598768661 /nfs/dbraw/zinc/76/86/61/598768661.db2.gz VERAKOUCVOWDBR-LBPRGKRZSA-N -1 3 398.345 0.867 20 0 GCADHM C[C@H](OC(=O)COc1ccccc1-c1nnn[n-]1)C(=O)NC(=O)NC(C)(C)C ZINC000736157160 598773728 /nfs/dbraw/zinc/77/37/28/598773728.db2.gz ZTDWORQORXUTLO-JTQLQIEISA-N -1 3 390.400 0.802 20 0 GCADHM C[C@H](OC(=O)COc1ccccc1-c1nn[n-]n1)C(=O)NC(=O)NC(C)(C)C ZINC000736157160 598773729 /nfs/dbraw/zinc/77/37/29/598773729.db2.gz ZTDWORQORXUTLO-JTQLQIEISA-N -1 3 390.400 0.802 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735887998 598773771 /nfs/dbraw/zinc/77/37/71/598773771.db2.gz HSPNUOJMOVYTAI-SNVBAGLBSA-N -1 3 376.373 0.411 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735887998 598773772 /nfs/dbraw/zinc/77/37/72/598773772.db2.gz HSPNUOJMOVYTAI-SNVBAGLBSA-N -1 3 376.373 0.411 20 0 GCADHM C[C@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000736155088 598778607 /nfs/dbraw/zinc/77/86/07/598778607.db2.gz HAIMLAJRZLCIMM-JTQLQIEISA-N -1 3 390.400 0.802 20 0 GCADHM CSc1[nH]c(=O)c(C(=O)NCCN2CCSCC2)cc1-c1nnn[n-]1 ZINC000737185660 598779959 /nfs/dbraw/zinc/77/99/59/598779959.db2.gz ASZIGMRNODUHCU-UHFFFAOYSA-N -1 3 381.487 0.468 20 0 GCADHM CSc1[nH]c(=O)c(C(=O)NCCN2CCSCC2)cc1-c1nn[n-]n1 ZINC000737185660 598779960 /nfs/dbraw/zinc/77/99/60/598779960.db2.gz ASZIGMRNODUHCU-UHFFFAOYSA-N -1 3 381.487 0.468 20 0 GCADHM O=C(Cn1ncn2nccc2c1=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737985764 598781588 /nfs/dbraw/zinc/78/15/88/598781588.db2.gz PYMFTLBETHGLEN-UHFFFAOYSA-N -1 3 396.367 0.083 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736330557 598783806 /nfs/dbraw/zinc/78/38/06/598783806.db2.gz MLIRAJCWHYRPKE-GZMMTYOYSA-N -1 3 398.370 0.930 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736330557 598783807 /nfs/dbraw/zinc/78/38/07/598783807.db2.gz MLIRAJCWHYRPKE-GZMMTYOYSA-N -1 3 398.370 0.930 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000738177616 598784367 /nfs/dbraw/zinc/78/43/67/598784367.db2.gz KPQHYWGFYYCYQG-HNNXBMFYSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000738177616 598784369 /nfs/dbraw/zinc/78/43/69/598784369.db2.gz KPQHYWGFYYCYQG-HNNXBMFYSA-N -1 3 397.439 0.809 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)ccc1C(N)=O ZINC000737270228 598785680 /nfs/dbraw/zinc/78/56/80/598785680.db2.gz CJKSARFMIJZYKA-UHFFFAOYSA-N -1 3 379.380 0.529 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)ccc1C(N)=O ZINC000737270228 598785681 /nfs/dbraw/zinc/78/56/81/598785681.db2.gz CJKSARFMIJZYKA-UHFFFAOYSA-N -1 3 379.380 0.529 20 0 GCADHM CN(C)C(=O)c1ccc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nc1 ZINC000736753471 598785688 /nfs/dbraw/zinc/78/56/88/598785688.db2.gz LSGUKNLVWLCOKD-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM CN(C)C(=O)c1ccc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nc1 ZINC000736753471 598785690 /nfs/dbraw/zinc/78/56/90/598785690.db2.gz LSGUKNLVWLCOKD-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM CS(=O)(=O)CCNC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737163028 598788773 /nfs/dbraw/zinc/78/87/73/598788773.db2.gz RDQQPWDJJFTLTI-UHFFFAOYSA-N -1 3 380.499 0.750 20 0 GCADHM CS(=O)(=O)CCNC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737163028 598788774 /nfs/dbraw/zinc/78/87/74/598788774.db2.gz RDQQPWDJJFTLTI-UHFFFAOYSA-N -1 3 380.499 0.750 20 0 GCADHM Cc1cc(N2CC[C@H](S(N)(=O)=O)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737271403 598789188 /nfs/dbraw/zinc/78/91/88/598789188.db2.gz KVWSUYFOIJGGLI-NSHDSACASA-N -1 3 398.452 0.843 20 0 GCADHM Cc1cc(N2CC[C@H](S(N)(=O)=O)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737271403 598789191 /nfs/dbraw/zinc/78/91/91/598789191.db2.gz KVWSUYFOIJGGLI-NSHDSACASA-N -1 3 398.452 0.843 20 0 GCADHM Cn1nnc2cc(C(=O)N3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)ccc21 ZINC000737629756 598790553 /nfs/dbraw/zinc/79/05/53/598790553.db2.gz ZUHGMLXHTNRCPS-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM Cn1nnc2cc(C(=O)N3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)ccc21 ZINC000737629756 598790554 /nfs/dbraw/zinc/79/05/54/598790554.db2.gz ZUHGMLXHTNRCPS-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737200407 598790853 /nfs/dbraw/zinc/79/08/53/598790853.db2.gz UDSKZQPNENMKNR-UHFFFAOYSA-N -1 3 378.396 0.712 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737200407 598790854 /nfs/dbraw/zinc/79/08/54/598790854.db2.gz UDSKZQPNENMKNR-UHFFFAOYSA-N -1 3 378.396 0.712 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000735734802 598791986 /nfs/dbraw/zinc/79/19/86/598791986.db2.gz JQRWDJUPIQGTSH-BLLLJJGKSA-N -1 3 382.428 0.993 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000735734802 598791988 /nfs/dbraw/zinc/79/19/88/598791988.db2.gz JQRWDJUPIQGTSH-BLLLJJGKSA-N -1 3 382.428 0.993 20 0 GCADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)[C@H](C)CS(C)(=O)=O ZINC000736501824 598792589 /nfs/dbraw/zinc/79/25/89/598792589.db2.gz GZDGQDPECTZAGP-NEPJUHHUSA-N -1 3 381.458 0.916 20 0 GCADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)[C@H](C)CS(C)(=O)=O ZINC000736501824 598792591 /nfs/dbraw/zinc/79/25/91/598792591.db2.gz GZDGQDPECTZAGP-NEPJUHHUSA-N -1 3 381.458 0.916 20 0 GCADHM Cn1ncc(NCCNc2ncccc2-c2nnn[n-]2)c(Br)c1=O ZINC000737621404 598794601 /nfs/dbraw/zinc/79/46/01/598794601.db2.gz FYRYZXJPJOWPGP-UHFFFAOYSA-N -1 3 392.221 0.642 20 0 GCADHM Cn1ncc(NCCNc2ncccc2-c2nn[n-]n2)c(Br)c1=O ZINC000737621404 598794602 /nfs/dbraw/zinc/79/46/02/598794602.db2.gz FYRYZXJPJOWPGP-UHFFFAOYSA-N -1 3 392.221 0.642 20 0 GCADHM NC(=O)C1CCN(c2ncccc2CNc2ncccc2-c2nnn[n-]2)CC1 ZINC000737745417 598796860 /nfs/dbraw/zinc/79/68/60/598796860.db2.gz NLOSNJGXRFLCQQ-UHFFFAOYSA-N -1 3 379.428 0.971 20 0 GCADHM NC(=O)C1CCN(c2ncccc2CNc2ncccc2-c2nn[n-]n2)CC1 ZINC000737745417 598796862 /nfs/dbraw/zinc/79/68/62/598796862.db2.gz NLOSNJGXRFLCQQ-UHFFFAOYSA-N -1 3 379.428 0.971 20 0 GCADHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc(OC)c1OCC(N)=O ZINC000737041072 598804645 /nfs/dbraw/zinc/80/46/45/598804645.db2.gz KSKVSAZQCMIKAB-UHFFFAOYSA-N -1 3 399.367 0.395 20 0 GCADHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc(OC)c1OCC(N)=O ZINC000737041072 598804646 /nfs/dbraw/zinc/80/46/46/598804646.db2.gz KSKVSAZQCMIKAB-UHFFFAOYSA-N -1 3 399.367 0.395 20 0 GCADHM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)S(C)(=O)=O ZINC000735574684 598804637 /nfs/dbraw/zinc/80/46/37/598804637.db2.gz KJBLVZOFXCBIAZ-UHFFFAOYSA-N -1 3 396.448 0.478 20 0 GCADHM C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC000735525822 598804659 /nfs/dbraw/zinc/80/46/59/598804659.db2.gz QHEMHJTWXBGSMF-ZWNOBZJWSA-N -1 3 399.440 0.559 20 0 GCADHM C[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC000735525822 598804661 /nfs/dbraw/zinc/80/46/61/598804661.db2.gz QHEMHJTWXBGSMF-ZWNOBZJWSA-N -1 3 399.440 0.559 20 0 GCADHM O=C(CCCN1C(=O)CCC1=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737842768 598808994 /nfs/dbraw/zinc/80/89/94/598808994.db2.gz WJHOILDKOSASLL-UHFFFAOYSA-N -1 3 394.395 0.920 20 0 GCADHM Cn1nnnc1SCCC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737626672 598809065 /nfs/dbraw/zinc/80/90/65/598809065.db2.gz IVAJQHQGPZDRQX-UHFFFAOYSA-N -1 3 397.428 0.697 20 0 GCADHM Cc1oc(NC(=O)CN2CCC(CS(N)(=O)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000737550764 598809833 /nfs/dbraw/zinc/80/98/33/598809833.db2.gz CEZBYSLNNSYSTR-UHFFFAOYSA-N -1 3 397.461 0.016 20 0 GCADHM OCCCN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000738393613 598810553 /nfs/dbraw/zinc/81/05/53/598810553.db2.gz KOJKCNRKSKCDPO-GFCCVEGCSA-N -1 3 375.351 0.853 20 0 GCADHM CCN(CC(=O)NC)C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000736510520 598811735 /nfs/dbraw/zinc/81/17/35/598811735.db2.gz ACKVXERUZQWYPM-UHFFFAOYSA-N -1 3 377.474 0.874 20 0 GCADHM CCN(CC(=O)NC)C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000736510520 598811736 /nfs/dbraw/zinc/81/17/36/598811736.db2.gz ACKVXERUZQWYPM-UHFFFAOYSA-N -1 3 377.474 0.874 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000736167739 598813225 /nfs/dbraw/zinc/81/32/25/598813225.db2.gz GFCGMWXNIVNRKX-NSHDSACASA-N -1 3 381.458 0.964 20 0 GCADHM CCC(CC)N1C[C@H](C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1=O ZINC000736346130 598818965 /nfs/dbraw/zinc/81/89/65/598818965.db2.gz RTBYSWTTXZOAJH-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CCC(CC)N1C[C@H](C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1=O ZINC000736346130 598818967 /nfs/dbraw/zinc/81/89/67/598818967.db2.gz RTBYSWTTXZOAJH-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM O=C(CN(CCO)CCOCC(F)(F)F)Nc1sccc1-c1nnn[n-]1 ZINC000737863870 598819286 /nfs/dbraw/zinc/81/92/86/598819286.db2.gz IZHVIMIFKDFHFK-UHFFFAOYSA-N -1 3 394.379 0.740 20 0 GCADHM O=C(CN(CCO)CCOCC(F)(F)F)Nc1sccc1-c1nn[n-]n1 ZINC000737863870 598819288 /nfs/dbraw/zinc/81/92/88/598819288.db2.gz IZHVIMIFKDFHFK-UHFFFAOYSA-N -1 3 394.379 0.740 20 0 GCADHM COCCCN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000736980316 598819590 /nfs/dbraw/zinc/81/95/90/598819590.db2.gz COLPKQVYRYWYPK-HNNXBMFYSA-N -1 3 393.469 0.461 20 0 GCADHM COCCCN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000736980316 598819592 /nfs/dbraw/zinc/81/95/92/598819592.db2.gz COLPKQVYRYWYPK-HNNXBMFYSA-N -1 3 393.469 0.461 20 0 GCADHM CCN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CS(=O)(=O)CC ZINC000736510537 598820187 /nfs/dbraw/zinc/82/01/87/598820187.db2.gz ATRPTHMCIMZAFU-ZDUSSCGKSA-N -1 3 394.501 0.628 20 0 GCADHM CCN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CS(=O)(=O)CC ZINC000736510537 598820189 /nfs/dbraw/zinc/82/01/89/598820189.db2.gz ATRPTHMCIMZAFU-ZDUSSCGKSA-N -1 3 394.501 0.628 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736656567 598820345 /nfs/dbraw/zinc/82/03/45/598820345.db2.gz JQVCUXNAIBEYDJ-LBPRGKRZSA-N -1 3 380.474 0.238 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736656567 598820346 /nfs/dbraw/zinc/82/03/46/598820346.db2.gz JQVCUXNAIBEYDJ-LBPRGKRZSA-N -1 3 380.474 0.238 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N2CCS(=O)(=O)CC2)c1-c1nnn[n-]1 ZINC000737189156 598821678 /nfs/dbraw/zinc/82/16/78/598821678.db2.gz KDZKRVBVHGGIPG-UHFFFAOYSA-N -1 3 394.482 0.732 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736883809 598822117 /nfs/dbraw/zinc/82/21/17/598822117.db2.gz RPFAQWZDWDXBJJ-SNVBAGLBSA-N -1 3 381.487 0.577 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736883809 598822118 /nfs/dbraw/zinc/82/21/18/598822118.db2.gz RPFAQWZDWDXBJJ-SNVBAGLBSA-N -1 3 381.487 0.577 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000736164401 598822898 /nfs/dbraw/zinc/82/28/98/598822898.db2.gz OHDMRPRBBUKVIL-SRVKXCTJSA-N -1 3 381.458 0.914 20 0 GCADHM CC(C)(C)N1C[C@@H](C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)CC1=O ZINC000735619005 599297995 /nfs/dbraw/zinc/29/79/95/599297995.db2.gz PLMNFDWZAPABPE-QMMMGPOBSA-N -1 3 376.446 0.754 20 0 GCADHM CC(C)(C)N1C[C@@H](C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)CC1=O ZINC000735619005 599297998 /nfs/dbraw/zinc/29/79/98/599297998.db2.gz PLMNFDWZAPABPE-QMMMGPOBSA-N -1 3 376.446 0.754 20 0 GCADHM CCCC(=O)N1CSC[C@H]1C(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000736414646 599298615 /nfs/dbraw/zinc/29/86/15/599298615.db2.gz ZCRBVDCDDOUASY-QMMMGPOBSA-N -1 3 394.486 0.809 20 0 GCADHM CCCC(=O)N1CSC[C@H]1C(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000736414646 599298616 /nfs/dbraw/zinc/29/86/16/599298616.db2.gz ZCRBVDCDDOUASY-QMMMGPOBSA-N -1 3 394.486 0.809 20 0 GCADHM CC[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)N1CCCC1=O ZINC000820843443 599311867 /nfs/dbraw/zinc/31/18/67/599311867.db2.gz ZIWAJIBMOCJUSI-QGZVFWFLSA-N -1 3 397.483 0.912 20 0 GCADHM COCCNC(=O)CN1CCN(c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000821691086 599316792 /nfs/dbraw/zinc/31/67/92/599316792.db2.gz IBTWGEDTULROMN-UHFFFAOYSA-N -1 3 379.852 0.405 20 0 GCADHM COCCNC(=O)CN1CCN(c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000821691086 599316798 /nfs/dbraw/zinc/31/67/98/599316798.db2.gz IBTWGEDTULROMN-UHFFFAOYSA-N -1 3 379.852 0.405 20 0 GCADHM CCOC(=O)C1(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)CC1 ZINC000736591514 599318746 /nfs/dbraw/zinc/31/87/46/599318746.db2.gz UVVYYHQDRMDYSM-UHFFFAOYSA-N -1 3 388.403 0.998 20 0 GCADHM CCOC(=O)C1(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)CC1 ZINC000736591514 599318749 /nfs/dbraw/zinc/31/87/49/599318749.db2.gz UVVYYHQDRMDYSM-UHFFFAOYSA-N -1 3 388.403 0.998 20 0 GCADHM COc1cc(C(=O)n2ncc(-c3nnn[n-]3)c2N)cc(OC)c1OC(F)F ZINC000821708557 599318816 /nfs/dbraw/zinc/31/88/16/599318816.db2.gz SNSLNDWNGMVWIS-UHFFFAOYSA-N -1 3 381.299 0.953 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000277562561 599319713 /nfs/dbraw/zinc/31/97/13/599319713.db2.gz WASLKFDZVFXDKV-UONOGXRCSA-N -1 3 388.428 0.853 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000277562561 599319716 /nfs/dbraw/zinc/31/97/16/599319716.db2.gz WASLKFDZVFXDKV-UONOGXRCSA-N -1 3 388.428 0.853 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1nccn2ccnc12 ZINC000823154725 599320970 /nfs/dbraw/zinc/32/09/70/599320970.db2.gz IJAAAAZFTJIWLH-UHFFFAOYSA-N -1 3 390.411 0.703 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1nccn2ccnc12 ZINC000823154725 599320972 /nfs/dbraw/zinc/32/09/72/599320972.db2.gz IJAAAAZFTJIWLH-UHFFFAOYSA-N -1 3 390.411 0.703 20 0 GCADHM O=S(=O)([C@H]1CCOC1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738319266 599325279 /nfs/dbraw/zinc/32/52/79/599325279.db2.gz UQRUWBTZMYGHCW-LBPRGKRZSA-N -1 3 382.421 0.247 20 0 GCADHM COC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736940618 599333017 /nfs/dbraw/zinc/33/30/17/599333017.db2.gz MXBHZEHYEYDEFF-JSGCOSHPSA-N -1 3 384.396 0.384 20 0 GCADHM COC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736940618 599333020 /nfs/dbraw/zinc/33/30/20/599333020.db2.gz MXBHZEHYEYDEFF-JSGCOSHPSA-N -1 3 384.396 0.384 20 0 GCADHM Cn1nnnc1-c1cccc(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737626122 599334709 /nfs/dbraw/zinc/33/47/09/599334709.db2.gz GJHDJMHFFQJZCA-UHFFFAOYSA-N -1 3 384.381 0.825 20 0 GCADHM Cn1nnnc1-c1cccc(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737626122 599334714 /nfs/dbraw/zinc/33/47/14/599334714.db2.gz GJHDJMHFFQJZCA-UHFFFAOYSA-N -1 3 384.381 0.825 20 0 GCADHM CC(C)n1cc(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000820215030 599336963 /nfs/dbraw/zinc/33/69/63/599336963.db2.gz QFQDQRREFQEROZ-UHFFFAOYSA-N -1 3 377.434 0.430 20 0 GCADHM CC(C)n1cc(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000820215030 599336965 /nfs/dbraw/zinc/33/69/65/599336965.db2.gz QFQDQRREFQEROZ-UHFFFAOYSA-N -1 3 377.434 0.430 20 0 GCADHM CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000821578180 599337466 /nfs/dbraw/zinc/33/74/66/599337466.db2.gz RFCCBBJMZAFRBG-UHFFFAOYSA-N -1 3 399.864 0.508 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823566431 599338797 /nfs/dbraw/zinc/33/87/97/599338797.db2.gz GPLNVBJLITYNQS-UHFFFAOYSA-N -1 3 393.404 0.646 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000823566431 599338800 /nfs/dbraw/zinc/33/88/00/599338800.db2.gz GPLNVBJLITYNQS-UHFFFAOYSA-N -1 3 393.404 0.646 20 0 GCADHM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000821631366 599342958 /nfs/dbraw/zinc/34/29/58/599342958.db2.gz GYXZJGNBGJDPRD-VIFPVBQESA-N -1 3 384.849 0.667 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)CC2)[nH]1 ZINC000737478909 599343909 /nfs/dbraw/zinc/34/39/09/599343909.db2.gz VIWKACBRRNUWSO-GFCCVEGCSA-N -1 3 397.443 0.405 20 0 GCADHM O=C(CCC(=O)N1CCOc2ccccc21)Nc1ccncc1-c1nnn[n-]1 ZINC000737821190 599345277 /nfs/dbraw/zinc/34/52/77/599345277.db2.gz OLIJUYBKCBKMGT-UHFFFAOYSA-N -1 3 379.380 0.828 20 0 GCADHM O=C(CCC(=O)N1CCOc2ccccc21)Nc1ccncc1-c1nn[n-]n1 ZINC000737821190 599345278 /nfs/dbraw/zinc/34/52/78/599345278.db2.gz OLIJUYBKCBKMGT-UHFFFAOYSA-N -1 3 379.380 0.828 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCCN1c1cccnn1 ZINC000737921871 599346740 /nfs/dbraw/zinc/34/67/40/599346740.db2.gz YTRVKICHPOQYOA-CQSZACIVSA-N -1 3 380.412 0.821 20 0 GCADHM CN([C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821592451 599349862 /nfs/dbraw/zinc/34/98/62/599349862.db2.gz GYBIAVLUIBREDH-KGLIPLIRSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821592451 599349864 /nfs/dbraw/zinc/34/98/64/599349864.db2.gz GYBIAVLUIBREDH-KGLIPLIRSA-N -1 3 399.498 0.843 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000820767251 599355440 /nfs/dbraw/zinc/35/54/40/599355440.db2.gz GVJLEXPXCYOHRW-VXGBXAGGSA-N -1 3 382.446 0.189 20 0 GCADHM CCOC(=O)CCCS(=O)(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821325925 599356649 /nfs/dbraw/zinc/35/66/49/599356649.db2.gz PWOBTEKBPMTDRV-UHFFFAOYSA-N -1 3 383.430 0.508 20 0 GCADHM O=C(COc1ccc(C(=O)NCCO)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737918794 599364628 /nfs/dbraw/zinc/36/46/28/599364628.db2.gz LMQNGUBPFLURMC-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM O=C(COc1ccc(C(=O)NCCO)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737918794 599364631 /nfs/dbraw/zinc/36/46/31/599364631.db2.gz LMQNGUBPFLURMC-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM O=C(COc1cccc(C(=O)NCCO)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737924401 599365170 /nfs/dbraw/zinc/36/51/70/599365170.db2.gz DLEBRDCTKVWZHM-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM O=C(COc1cccc(C(=O)NCCO)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737924401 599365171 /nfs/dbraw/zinc/36/51/71/599365171.db2.gz DLEBRDCTKVWZHM-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM C[C@@H](OC(=O)[C@H](O)C1CCOCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736149550 599365961 /nfs/dbraw/zinc/36/59/61/599365961.db2.gz HDNOMNHFYIQVOO-QMTHXVAHSA-N -1 3 375.385 0.524 20 0 GCADHM C[C@@H](OC(=O)[C@H](O)C1CCOCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736149550 599365963 /nfs/dbraw/zinc/36/59/63/599365963.db2.gz HDNOMNHFYIQVOO-QMTHXVAHSA-N -1 3 375.385 0.524 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000822143876 599367278 /nfs/dbraw/zinc/36/72/78/599367278.db2.gz HUKYXUQHVSIOCD-OAHLLOKOSA-N -1 3 392.485 0.660 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000822143876 599367281 /nfs/dbraw/zinc/36/72/81/599367281.db2.gz HUKYXUQHVSIOCD-OAHLLOKOSA-N -1 3 392.485 0.660 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1CN1CCOCC1 ZINC000823607841 599368302 /nfs/dbraw/zinc/36/83/02/599368302.db2.gz YGAZCBPHFBCZST-AWEZNQCLSA-N -1 3 378.458 0.352 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1CN1CCOCC1 ZINC000823607841 599368305 /nfs/dbraw/zinc/36/83/05/599368305.db2.gz YGAZCBPHFBCZST-AWEZNQCLSA-N -1 3 378.458 0.352 20 0 GCADHM CC(C)N1C(=O)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1(C)C ZINC000820127630 599368806 /nfs/dbraw/zinc/36/88/06/599368806.db2.gz KLZVAXNAUIPIDZ-UHFFFAOYSA-N -1 3 378.458 0.887 20 0 GCADHM CC(C)N1C(=O)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1(C)C ZINC000820127630 599368809 /nfs/dbraw/zinc/36/88/09/599368809.db2.gz KLZVAXNAUIPIDZ-UHFFFAOYSA-N -1 3 378.458 0.887 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821692252 599372029 /nfs/dbraw/zinc/37/20/29/599372029.db2.gz SBTSPSOKGDTNRR-ZDUSSCGKSA-N -1 3 381.458 0.849 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821692252 599372031 /nfs/dbraw/zinc/37/20/31/599372031.db2.gz SBTSPSOKGDTNRR-ZDUSSCGKSA-N -1 3 381.458 0.849 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821691942 599372066 /nfs/dbraw/zinc/37/20/66/599372066.db2.gz KMNOQEUQNSBBBC-CQSZACIVSA-N -1 3 381.458 0.681 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821691942 599372067 /nfs/dbraw/zinc/37/20/67/599372067.db2.gz KMNOQEUQNSBBBC-CQSZACIVSA-N -1 3 381.458 0.681 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821692251 599372701 /nfs/dbraw/zinc/37/27/01/599372701.db2.gz SBTSPSOKGDTNRR-CYBMUJFWSA-N -1 3 381.458 0.849 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821692251 599372704 /nfs/dbraw/zinc/37/27/04/599372704.db2.gz SBTSPSOKGDTNRR-CYBMUJFWSA-N -1 3 381.458 0.849 20 0 GCADHM O=C1NCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@H]1c1cccs1 ZINC000823547703 599373108 /nfs/dbraw/zinc/37/31/08/599373108.db2.gz NOEKAUBVLKEFNB-ZDUSSCGKSA-N -1 3 390.450 0.790 20 0 GCADHM O=C1NCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@H]1c1cccs1 ZINC000823547703 599373110 /nfs/dbraw/zinc/37/31/10/599373110.db2.gz NOEKAUBVLKEFNB-ZDUSSCGKSA-N -1 3 390.450 0.790 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1=O ZINC000820676920 599373672 /nfs/dbraw/zinc/37/36/72/599373672.db2.gz PGWPBXYNRGCUIO-JRKPZEMJSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1=O ZINC000820676920 599373675 /nfs/dbraw/zinc/37/36/75/599373675.db2.gz PGWPBXYNRGCUIO-JRKPZEMJSA-N -1 3 396.860 0.808 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000822153091 599374829 /nfs/dbraw/zinc/37/48/29/599374829.db2.gz KYDZJYPLKHULMH-OASPWFOLSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000822153091 599374832 /nfs/dbraw/zinc/37/48/32/599374832.db2.gz KYDZJYPLKHULMH-OASPWFOLSA-N -1 3 376.442 0.463 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736231461 599390903 /nfs/dbraw/zinc/39/09/03/599390903.db2.gz XCWGOWRACJROSN-QWRGUYRKSA-N -1 3 381.483 0.993 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736231461 599390904 /nfs/dbraw/zinc/39/09/04/599390904.db2.gz XCWGOWRACJROSN-QWRGUYRKSA-N -1 3 381.483 0.993 20 0 GCADHM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)C1 ZINC000736226256 599399023 /nfs/dbraw/zinc/39/90/23/599399023.db2.gz WBVCALIQDMVEDI-HUUCEWRRSA-N -1 3 384.488 0.888 20 0 GCADHM O=c1cc(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc2ccccn12 ZINC000738378923 599404676 /nfs/dbraw/zinc/40/46/76/599404676.db2.gz BRWJIFNMIUFONJ-UHFFFAOYSA-N -1 3 389.423 0.592 20 0 GCADHM O=c1cc(CN2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)nc2ccccn12 ZINC000738378923 599404678 /nfs/dbraw/zinc/40/46/78/599404678.db2.gz BRWJIFNMIUFONJ-UHFFFAOYSA-N -1 3 389.423 0.592 20 0 GCADHM CCNC(=O)COc1cccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821284154 599412033 /nfs/dbraw/zinc/41/20/33/599412033.db2.gz CACHUSWCKQPFLW-GFCCVEGCSA-N -1 3 397.443 0.732 20 0 GCADHM CCNC(=O)COc1cccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821284154 599412034 /nfs/dbraw/zinc/41/20/34/599412034.db2.gz CACHUSWCKQPFLW-GFCCVEGCSA-N -1 3 397.443 0.732 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822205956 599412268 /nfs/dbraw/zinc/41/22/68/599412268.db2.gz OSTBCVTYLOJQHO-AWEZNQCLSA-N -1 3 395.427 0.513 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822205956 599412270 /nfs/dbraw/zinc/41/22/70/599412270.db2.gz OSTBCVTYLOJQHO-AWEZNQCLSA-N -1 3 395.427 0.513 20 0 GCADHM C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820368174 599419205 /nfs/dbraw/zinc/41/92/05/599419205.db2.gz XHXQDHWIALCIAY-LLVKDONJSA-N -1 3 381.462 0.508 20 0 GCADHM C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820368174 599419206 /nfs/dbraw/zinc/41/92/06/599419206.db2.gz XHXQDHWIALCIAY-LLVKDONJSA-N -1 3 381.462 0.508 20 0 GCADHM C[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357310 599422721 /nfs/dbraw/zinc/42/27/21/599422721.db2.gz FXTASMYAQFXFSD-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357310 599422724 /nfs/dbraw/zinc/42/27/24/599422724.db2.gz FXTASMYAQFXFSD-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H](O)CC(C)(C)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820468117 599425115 /nfs/dbraw/zinc/42/51/15/599425115.db2.gz RGURYNFBLAQUPO-LBPRGKRZSA-N -1 3 395.485 0.695 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000821932442 599426404 /nfs/dbraw/zinc/42/64/04/599426404.db2.gz MXHVDEPRBCSHTI-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000821932442 599426405 /nfs/dbraw/zinc/42/64/05/599426405.db2.gz MXHVDEPRBCSHTI-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820137672 599435050 /nfs/dbraw/zinc/43/50/50/599435050.db2.gz NNRCJDBHOLAAMR-LLVKDONJSA-N -1 3 381.462 0.555 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820137672 599435055 /nfs/dbraw/zinc/43/50/55/599435055.db2.gz NNRCJDBHOLAAMR-LLVKDONJSA-N -1 3 381.462 0.555 20 0 GCADHM CC(C)[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC1 ZINC000820183962 599435283 /nfs/dbraw/zinc/43/52/83/599435283.db2.gz PKMDUDLGXCKJOW-INIZCTEOSA-N -1 3 399.455 0.360 20 0 GCADHM CC(C)[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC1 ZINC000820183962 599435285 /nfs/dbraw/zinc/43/52/85/599435285.db2.gz PKMDUDLGXCKJOW-INIZCTEOSA-N -1 3 399.455 0.360 20 0 GCADHM C[C@@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000820368177 599435858 /nfs/dbraw/zinc/43/58/58/599435858.db2.gz XJVXOEIZTLIXSW-LLVKDONJSA-N -1 3 395.489 0.945 20 0 GCADHM C[C@@H](NC(=O)NCCS(=O)(=O)NC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000820368177 599435860 /nfs/dbraw/zinc/43/58/60/599435860.db2.gz XJVXOEIZTLIXSW-LLVKDONJSA-N -1 3 395.489 0.945 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823238063 599437827 /nfs/dbraw/zinc/43/78/27/599437827.db2.gz HYAXBOQTGOOGOJ-UHFFFAOYSA-N -1 3 394.374 0.981 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823238063 599437828 /nfs/dbraw/zinc/43/78/28/599437828.db2.gz HYAXBOQTGOOGOJ-UHFFFAOYSA-N -1 3 394.374 0.981 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736231502 599447330 /nfs/dbraw/zinc/44/73/30/599447330.db2.gz XQINOUGEGKNLAM-NEPJUHHUSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736231502 599447331 /nfs/dbraw/zinc/44/73/31/599447331.db2.gz XQINOUGEGKNLAM-NEPJUHHUSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736230928 599447862 /nfs/dbraw/zinc/44/78/62/599447862.db2.gz UIYWAJKAVNUFTP-UWVGGRQHSA-N -1 3 398.876 0.966 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736230928 599447864 /nfs/dbraw/zinc/44/78/64/599447864.db2.gz UIYWAJKAVNUFTP-UWVGGRQHSA-N -1 3 398.876 0.966 20 0 GCADHM CCNS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736578387 599449268 /nfs/dbraw/zinc/44/92/68/599449268.db2.gz RUNGPBKBTJKILA-UHFFFAOYSA-N -1 3 379.446 0.372 20 0 GCADHM CCNS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736578387 599449271 /nfs/dbraw/zinc/44/92/71/599449271.db2.gz RUNGPBKBTJKILA-UHFFFAOYSA-N -1 3 379.446 0.372 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736224805 599451167 /nfs/dbraw/zinc/45/11/67/599451167.db2.gz NPRAKZLDCHKWBF-IUCAKERBSA-N -1 3 389.434 0.202 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822491884 599451682 /nfs/dbraw/zinc/45/16/82/599451682.db2.gz IIUVJHBBFIPHJJ-NSHDSACASA-N -1 3 398.475 0.954 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822491884 599451685 /nfs/dbraw/zinc/45/16/85/599451685.db2.gz IIUVJHBBFIPHJJ-NSHDSACASA-N -1 3 398.475 0.954 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820641456 599451833 /nfs/dbraw/zinc/45/18/33/599451833.db2.gz CPRAODGXRKMLJG-VCQIMIBNSA-N -1 3 378.458 0.796 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820643454 599453389 /nfs/dbraw/zinc/45/33/89/599453389.db2.gz WXEZDBUZCCSPHX-NEPJUHHUSA-N -1 3 394.457 0.463 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819882987 599453456 /nfs/dbraw/zinc/45/34/56/599453456.db2.gz DHLGJQHNHTZLCN-VXGBXAGGSA-N -1 3 396.473 0.709 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(F)F)CC1 ZINC000823211736 599453505 /nfs/dbraw/zinc/45/35/05/599453505.db2.gz RFKBYTYGTIBKME-UHFFFAOYSA-N -1 3 381.387 0.838 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819882986 599453659 /nfs/dbraw/zinc/45/36/59/599453659.db2.gz DHLGJQHNHTZLCN-RYUDHWBXSA-N -1 3 396.473 0.709 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000821931736 599459578 /nfs/dbraw/zinc/45/95/78/599459578.db2.gz GXBFUYKDLHJXKL-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000821931736 599459579 /nfs/dbraw/zinc/45/95/79/599459579.db2.gz GXBFUYKDLHJXKL-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM O=C(NCCNC(=O)c1cccnc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823201576 599464597 /nfs/dbraw/zinc/46/45/97/599464597.db2.gz JSSUUXLGCAWART-UHFFFAOYSA-N -1 3 384.375 0.630 20 0 GCADHM O=C(NCCNC(=O)c1cccnc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823201576 599464600 /nfs/dbraw/zinc/46/46/00/599464600.db2.gz JSSUUXLGCAWART-UHFFFAOYSA-N -1 3 384.375 0.630 20 0 GCADHM Cn1ccnc(NCCCc2nn(-c3ccccc3)c(N)c2-c2nnn[n-]2)c1=O ZINC000822694240 599472752 /nfs/dbraw/zinc/47/27/52/599472752.db2.gz ZMTPDNPLPYQKFU-UHFFFAOYSA-N -1 3 392.427 0.773 20 0 GCADHM Cn1ccnc(NCCCc2nn(-c3ccccc3)c(N)c2-c2nn[n-]n2)c1=O ZINC000822694240 599472753 /nfs/dbraw/zinc/47/27/53/599472753.db2.gz ZMTPDNPLPYQKFU-UHFFFAOYSA-N -1 3 392.427 0.773 20 0 GCADHM COc1ccccc1[C@H](O)CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000821882527 599474082 /nfs/dbraw/zinc/47/40/82/599474082.db2.gz DACBSVNWKFBUIC-CQSZACIVSA-N -1 3 390.425 0.668 20 0 GCADHM COc1ccccc1[C@H](O)CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000821882527 599474085 /nfs/dbraw/zinc/47/40/85/599474085.db2.gz DACBSVNWKFBUIC-CQSZACIVSA-N -1 3 390.425 0.668 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822466809 599490654 /nfs/dbraw/zinc/49/06/54/599490654.db2.gz BPBGQLDNBIWPCD-UHFFFAOYSA-N -1 3 396.390 0.501 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822466809 599490657 /nfs/dbraw/zinc/49/06/57/599490657.db2.gz BPBGQLDNBIWPCD-UHFFFAOYSA-N -1 3 396.390 0.501 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CC(=O)N(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822894627 599499022 /nfs/dbraw/zinc/49/90/22/599499022.db2.gz DNLOKUBSIMXXER-NSHDSACASA-N -1 3 399.436 0.732 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CC(=O)N(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822894627 599499025 /nfs/dbraw/zinc/49/90/25/599499025.db2.gz DNLOKUBSIMXXER-NSHDSACASA-N -1 3 399.436 0.732 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](O)c2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC000822899776 599499245 /nfs/dbraw/zinc/49/92/45/599499245.db2.gz SDECNDRZBRDFLX-CQSZACIVSA-N -1 3 378.389 0.799 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](O)c2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC000822899776 599499247 /nfs/dbraw/zinc/49/92/47/599499247.db2.gz SDECNDRZBRDFLX-CQSZACIVSA-N -1 3 378.389 0.799 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736609380 599503566 /nfs/dbraw/zinc/50/35/66/599503566.db2.gz QJCGWSVGIBXTHW-ZDUSSCGKSA-N -1 3 393.423 0.553 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736609380 599503569 /nfs/dbraw/zinc/50/35/69/599503569.db2.gz QJCGWSVGIBXTHW-ZDUSSCGKSA-N -1 3 393.423 0.553 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCN(CC(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822895570 599507246 /nfs/dbraw/zinc/50/72/46/599507246.db2.gz UBIRQNIYFWMNNM-MRVPVSSYSA-N -1 3 391.379 0.563 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCN(CC(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822895570 599507250 /nfs/dbraw/zinc/50/72/50/599507250.db2.gz UBIRQNIYFWMNNM-MRVPVSSYSA-N -1 3 391.379 0.563 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CCN(CC(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822895571 599507401 /nfs/dbraw/zinc/50/74/01/599507401.db2.gz UBIRQNIYFWMNNM-QMMMGPOBSA-N -1 3 391.379 0.563 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CCN(CC(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822895571 599507403 /nfs/dbraw/zinc/50/74/03/599507403.db2.gz UBIRQNIYFWMNNM-QMMMGPOBSA-N -1 3 391.379 0.563 20 0 GCADHM CCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000736723017 599508908 /nfs/dbraw/zinc/50/89/08/599508908.db2.gz RNSRGLBJOFXDSQ-NSHDSACASA-N -1 3 381.396 0.864 20 0 GCADHM CCn1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000736723017 599508910 /nfs/dbraw/zinc/50/89/10/599508910.db2.gz RNSRGLBJOFXDSQ-NSHDSACASA-N -1 3 381.396 0.864 20 0 GCADHM CCn1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000736723973 599509158 /nfs/dbraw/zinc/50/91/58/599509158.db2.gz ZZEUGKMNVZBHNT-UHFFFAOYSA-N -1 3 381.396 0.645 20 0 GCADHM CCn1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000736723973 599509160 /nfs/dbraw/zinc/50/91/60/599509160.db2.gz ZZEUGKMNVZBHNT-UHFFFAOYSA-N -1 3 381.396 0.645 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cnc(C2CC2)nc1 ZINC000738101451 599509947 /nfs/dbraw/zinc/50/99/47/599509947.db2.gz ZXWBSDZAYBXCMA-UHFFFAOYSA-N -1 3 382.359 0.928 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cnc(C2CC2)nc1 ZINC000738101451 599509948 /nfs/dbraw/zinc/50/99/48/599509948.db2.gz ZXWBSDZAYBXCMA-UHFFFAOYSA-N -1 3 382.359 0.928 20 0 GCADHM NS(=O)(=O)c1ccc(NCCC(=O)N2CCCCCC2)c(-c2nnn[n-]2)c1 ZINC000822899760 599510298 /nfs/dbraw/zinc/51/02/98/599510298.db2.gz RQZQUEGJEVXVNA-UHFFFAOYSA-N -1 3 393.473 0.719 20 0 GCADHM NS(=O)(=O)c1ccc(NCCC(=O)N2CCCCCC2)c(-c2nn[n-]n2)c1 ZINC000822899760 599510300 /nfs/dbraw/zinc/51/03/00/599510300.db2.gz RQZQUEGJEVXVNA-UHFFFAOYSA-N -1 3 393.473 0.719 20 0 GCADHM COC(=O)CCCCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736911997 599510936 /nfs/dbraw/zinc/51/09/36/599510936.db2.gz NXVXTKWCVVJYGS-UHFFFAOYSA-N -1 3 378.364 0.794 20 0 GCADHM COC(=O)CCCCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736911997 599510938 /nfs/dbraw/zinc/51/09/38/599510938.db2.gz NXVXTKWCVVJYGS-UHFFFAOYSA-N -1 3 378.364 0.794 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1nc(C2CC2)no1 ZINC000736636080 599511376 /nfs/dbraw/zinc/51/13/76/599511376.db2.gz NRJIQUKMGYCLAC-UHFFFAOYSA-N -1 3 398.383 0.781 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1nc(C2CC2)no1 ZINC000736636080 599511379 /nfs/dbraw/zinc/51/13/79/599511379.db2.gz NRJIQUKMGYCLAC-UHFFFAOYSA-N -1 3 398.383 0.781 20 0 GCADHM Cc1nnc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)c(-c2nnn[n-]2)c1C ZINC000822516090 599512388 /nfs/dbraw/zinc/51/23/88/599512388.db2.gz UTAQTMMPFNXSPL-LBPRGKRZSA-N -1 3 382.432 0.448 20 0 GCADHM Cc1nnc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)c(-c2nn[n-]n2)c1C ZINC000822516090 599512391 /nfs/dbraw/zinc/51/23/91/599512391.db2.gz UTAQTMMPFNXSPL-LBPRGKRZSA-N -1 3 382.432 0.448 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCn1cncn1 ZINC000735904151 599512731 /nfs/dbraw/zinc/51/27/31/599512731.db2.gz LXOBUSKRRBMVHH-UHFFFAOYSA-N -1 3 385.388 0.000 20 0 GCADHM CC1(C)CN(CCNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CCO1 ZINC000820601678 599513439 /nfs/dbraw/zinc/51/34/39/599513439.db2.gz RNSBHKTVHWMYLT-UHFFFAOYSA-N -1 3 381.462 0.037 20 0 GCADHM COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736976866 599514113 /nfs/dbraw/zinc/51/41/13/599514113.db2.gz RANSDWLDCMQMCX-OAHLLOKOSA-N -1 3 382.808 0.362 20 0 GCADHM COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736976866 599514115 /nfs/dbraw/zinc/51/41/15/599514115.db2.gz RANSDWLDCMQMCX-OAHLLOKOSA-N -1 3 382.808 0.362 20 0 GCADHM COC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736968635 599514291 /nfs/dbraw/zinc/51/42/91/599514291.db2.gz RYXUZSWSJRVAGI-QGZVFWFLSA-N -1 3 392.416 0.106 20 0 GCADHM COC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736968635 599514293 /nfs/dbraw/zinc/51/42/93/599514293.db2.gz RYXUZSWSJRVAGI-QGZVFWFLSA-N -1 3 392.416 0.106 20 0 GCADHM O=C(NCCSCCCO)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738085721 599514996 /nfs/dbraw/zinc/51/49/96/599514996.db2.gz MNTZIDZXHLJAKB-UHFFFAOYSA-N -1 3 384.849 0.690 20 0 GCADHM O=C(NCCSCCCO)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738085721 599514997 /nfs/dbraw/zinc/51/49/97/599514997.db2.gz MNTZIDZXHLJAKB-UHFFFAOYSA-N -1 3 384.849 0.690 20 0 GCADHM O=C(NC[C@H](O)C1CCOCC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738038050 599516623 /nfs/dbraw/zinc/51/66/23/599516623.db2.gz IPBJDQMYGNJZQX-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(NC[C@H](O)C1CCOCC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738038050 599516624 /nfs/dbraw/zinc/51/66/24/599516624.db2.gz IPBJDQMYGNJZQX-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[C@H](O)C(F)(F)F ZINC000737057703 599516783 /nfs/dbraw/zinc/51/67/83/599516783.db2.gz IJZHJXRMKZACTE-JTQLQIEISA-N -1 3 388.306 0.243 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[C@H](O)C(F)(F)F ZINC000737057703 599516785 /nfs/dbraw/zinc/51/67/85/599516785.db2.gz IJZHJXRMKZACTE-JTQLQIEISA-N -1 3 388.306 0.243 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000737055908 599517173 /nfs/dbraw/zinc/51/71/73/599517173.db2.gz JDIJCZGJVPELEH-QJDDGHOGSA-N -1 3 392.441 0.182 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000737055908 599517174 /nfs/dbraw/zinc/51/71/74/599517174.db2.gz JDIJCZGJVPELEH-QJDDGHOGSA-N -1 3 392.441 0.182 20 0 GCADHM CC(=O)N1CCC(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000823975056 607382201 /nfs/dbraw/zinc/38/22/01/607382201.db2.gz UCHFLQTWILAMQB-UHFFFAOYSA-N -1 3 386.412 0.459 20 0 GCADHM CC(=O)N1CCC(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000823975056 607382202 /nfs/dbraw/zinc/38/22/02/607382202.db2.gz UCHFLQTWILAMQB-UHFFFAOYSA-N -1 3 386.412 0.459 20 0 GCADHM C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820335583 599526389 /nfs/dbraw/zinc/52/63/89/599526389.db2.gz ZWSLSFAJFDYBHU-JTQLQIEISA-N -1 3 379.384 0.188 20 0 GCADHM C[C@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820335583 599526391 /nfs/dbraw/zinc/52/63/91/599526391.db2.gz ZWSLSFAJFDYBHU-JTQLQIEISA-N -1 3 379.384 0.188 20 0 GCADHM C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820328109 599531670 /nfs/dbraw/zinc/53/16/70/599531670.db2.gz MINFIWAZVQSGJK-LLVKDONJSA-N -1 3 383.412 0.909 20 0 GCADHM C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820328109 599531672 /nfs/dbraw/zinc/53/16/72/599531672.db2.gz MINFIWAZVQSGJK-LLVKDONJSA-N -1 3 383.412 0.909 20 0 GCADHM C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820326991 599538779 /nfs/dbraw/zinc/53/87/79/599538779.db2.gz CTPGKYWQSRYJHK-MGNBDDOMSA-N -1 3 383.412 0.764 20 0 GCADHM C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820326991 599538781 /nfs/dbraw/zinc/53/87/81/599538781.db2.gz CTPGKYWQSRYJHK-MGNBDDOMSA-N -1 3 383.412 0.764 20 0 GCADHM Cc1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)nc2c1c(=O)n(C)c(=O)n2C ZINC000737238548 599540377 /nfs/dbraw/zinc/54/03/77/599540377.db2.gz OQFRGJVTTCLKJJ-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM Cc1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)nc2c1c(=O)n(C)c(=O)n2C ZINC000737238548 599540379 /nfs/dbraw/zinc/54/03/79/599540379.db2.gz OQFRGJVTTCLKJJ-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCC(C)(C)NS(C)(=O)=O ZINC000822336045 599547603 /nfs/dbraw/zinc/54/76/03/599547603.db2.gz NTJPKQRQEWWFPJ-UHFFFAOYSA-N -1 3 375.458 0.885 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCC(C)(C)NS(C)(=O)=O ZINC000822336045 599547604 /nfs/dbraw/zinc/54/76/04/599547604.db2.gz NTJPKQRQEWWFPJ-UHFFFAOYSA-N -1 3 375.458 0.885 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328635 599552435 /nfs/dbraw/zinc/55/24/35/599552435.db2.gz PYVBLMDRSVCTEW-SMDDNHRTSA-N -1 3 378.458 0.163 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328635 599552436 /nfs/dbraw/zinc/55/24/36/599552436.db2.gz PYVBLMDRSVCTEW-SMDDNHRTSA-N -1 3 378.458 0.163 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822466879 599553741 /nfs/dbraw/zinc/55/37/41/599553741.db2.gz FDOMKNKJWJNCIP-SECBINFHSA-N -1 3 392.427 0.923 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822466879 599553744 /nfs/dbraw/zinc/55/37/44/599553744.db2.gz FDOMKNKJWJNCIP-SECBINFHSA-N -1 3 392.427 0.923 20 0 GCADHM CN1CC[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1=O ZINC000736857858 599558225 /nfs/dbraw/zinc/55/82/25/599558225.db2.gz UXFPBVHETIURIN-AWEZNQCLSA-N -1 3 382.380 0.999 20 0 GCADHM CN1CC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1=O ZINC000736858478 599560085 /nfs/dbraw/zinc/56/00/85/599560085.db2.gz YIHKFUGBBPXXKX-CYBMUJFWSA-N -1 3 382.380 0.999 20 0 GCADHM CN1CC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1=O ZINC000736858478 599560087 /nfs/dbraw/zinc/56/00/87/599560087.db2.gz YIHKFUGBBPXXKX-CYBMUJFWSA-N -1 3 382.380 0.999 20 0 GCADHM COCCCNC(=O)CN(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821687977 599562515 /nfs/dbraw/zinc/56/25/15/599562515.db2.gz YBHLXSYDFCIJBU-UHFFFAOYSA-N -1 3 386.416 0.501 20 0 GCADHM COCCCNC(=O)CN(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821687977 599562517 /nfs/dbraw/zinc/56/25/17/599562517.db2.gz YBHLXSYDFCIJBU-UHFFFAOYSA-N -1 3 386.416 0.501 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000826251158 607384170 /nfs/dbraw/zinc/38/41/70/607384170.db2.gz HERYIUDLBTYTIG-LLVKDONJSA-N -1 3 386.412 0.444 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000826251158 607384172 /nfs/dbraw/zinc/38/41/72/607384172.db2.gz HERYIUDLBTYTIG-LLVKDONJSA-N -1 3 386.412 0.444 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735876259 599566746 /nfs/dbraw/zinc/56/67/46/599566746.db2.gz YCZREVXQCRKNOP-GOEBONIOSA-N -1 3 383.456 0.961 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOC[C@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC000822899297 599570439 /nfs/dbraw/zinc/57/04/39/599570439.db2.gz GAXCQEOERLESQH-LLVKDONJSA-N -1 3 382.446 0.369 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOC[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC000822899297 599570442 /nfs/dbraw/zinc/57/04/42/599570442.db2.gz GAXCQEOERLESQH-LLVKDONJSA-N -1 3 382.446 0.369 20 0 GCADHM CN(C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CCN(C)C1=O ZINC000736853002 599572971 /nfs/dbraw/zinc/57/29/71/599572971.db2.gz UZCQJZMBYSSDET-NSHDSACASA-N -1 3 377.792 0.148 20 0 GCADHM CN(C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CCN(C)C1=O ZINC000736853002 599572975 /nfs/dbraw/zinc/57/29/75/599572975.db2.gz UZCQJZMBYSSDET-NSHDSACASA-N -1 3 377.792 0.148 20 0 GCADHM CC(=O)NC[C@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCO1 ZINC000819810249 599574777 /nfs/dbraw/zinc/57/47/77/599574777.db2.gz DFFGMZUSXWYVSN-AWEZNQCLSA-N -1 3 384.400 0.254 20 0 GCADHM CC(=O)NC[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCO1 ZINC000819810249 599574780 /nfs/dbraw/zinc/57/47/80/599574780.db2.gz DFFGMZUSXWYVSN-AWEZNQCLSA-N -1 3 384.400 0.254 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000821932376 599577057 /nfs/dbraw/zinc/57/70/57/599577057.db2.gz LEHWJAMUTZOFFZ-LBPRGKRZSA-N -1 3 390.429 0.040 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000821932376 599577059 /nfs/dbraw/zinc/57/70/59/599577059.db2.gz LEHWJAMUTZOFFZ-LBPRGKRZSA-N -1 3 390.429 0.040 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000821931783 599577438 /nfs/dbraw/zinc/57/74/38/599577438.db2.gz HGCFENOVAYJPNN-LBPRGKRZSA-N -1 3 390.429 0.040 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000821931783 599577439 /nfs/dbraw/zinc/57/74/39/599577439.db2.gz HGCFENOVAYJPNN-LBPRGKRZSA-N -1 3 390.429 0.040 20 0 GCADHM CC[C@H]1COCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736406878 599578389 /nfs/dbraw/zinc/57/83/89/599578389.db2.gz MLLWOMYPSMVZMC-KSSFIOAISA-N -1 3 385.428 0.702 20 0 GCADHM CC[C@H]1COCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736406878 599578390 /nfs/dbraw/zinc/57/83/90/599578390.db2.gz MLLWOMYPSMVZMC-KSSFIOAISA-N -1 3 385.428 0.702 20 0 GCADHM CCCNC(=O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821114260 599596388 /nfs/dbraw/zinc/59/63/88/599596388.db2.gz LTKFOWOWQNVFMO-UHFFFAOYSA-N -1 3 399.333 0.466 20 0 GCADHM CCCNC(=O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821114260 599596390 /nfs/dbraw/zinc/59/63/90/599596390.db2.gz LTKFOWOWQNVFMO-UHFFFAOYSA-N -1 3 399.333 0.466 20 0 GCADHM COC(=O)c1ccsc1NC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821671493 599597478 /nfs/dbraw/zinc/59/74/78/599597478.db2.gz YGDVNEJPNMGLLD-UHFFFAOYSA-N -1 3 386.393 0.970 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2cccnc2N(C)C)c1-c1nnn[n-]1 ZINC000822319184 599598077 /nfs/dbraw/zinc/59/80/77/599598077.db2.gz LSVMGNUAMVCFQG-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2cccnc2N(C)C)c1-c1nn[n-]n1 ZINC000822319184 599598078 /nfs/dbraw/zinc/59/80/78/599598078.db2.gz LSVMGNUAMVCFQG-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3nc(C)ncc3C2)c1-c1nnn[n-]1 ZINC000822472157 599598551 /nfs/dbraw/zinc/59/85/51/599598551.db2.gz PWFQATJGUUNFMG-ZDUSSCGKSA-N -1 3 392.423 0.886 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCc3nc(C)ncc3C2)c1-c1nn[n-]n1 ZINC000822472157 599598553 /nfs/dbraw/zinc/59/85/53/599598553.db2.gz PWFQATJGUUNFMG-ZDUSSCGKSA-N -1 3 392.423 0.886 20 0 GCADHM CCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000821113836 599599136 /nfs/dbraw/zinc/59/91/36/599599136.db2.gz FPUFVEBHFFMAFH-UHFFFAOYSA-N -1 3 399.455 0.878 20 0 GCADHM CCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000821113836 599599138 /nfs/dbraw/zinc/59/91/38/599599138.db2.gz FPUFVEBHFFMAFH-UHFFFAOYSA-N -1 3 399.455 0.878 20 0 GCADHM COc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821883327 599599268 /nfs/dbraw/zinc/59/92/68/599599268.db2.gz TUAVUDHPFGZDEH-AWEZNQCLSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821883327 599599270 /nfs/dbraw/zinc/59/92/70/599599270.db2.gz TUAVUDHPFGZDEH-AWEZNQCLSA-N -1 3 396.407 0.972 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CCC[C@H](O)C1 ZINC000823303276 599600423 /nfs/dbraw/zinc/60/04/23/599600423.db2.gz FLDYKYSVLLHGTF-VIFPVBQESA-N -1 3 384.318 0.807 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CCC[C@H](O)C1 ZINC000823303276 599600425 /nfs/dbraw/zinc/60/04/25/599600425.db2.gz FLDYKYSVLLHGTF-VIFPVBQESA-N -1 3 384.318 0.807 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)c1-c1nnn[n-]1 ZINC000822318944 599600464 /nfs/dbraw/zinc/60/04/64/599600464.db2.gz CQZLLOHZSNZRFM-CYBMUJFWSA-N -1 3 396.407 0.670 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)c1-c1nn[n-]n1 ZINC000822318944 599600467 /nfs/dbraw/zinc/60/04/67/599600467.db2.gz CQZLLOHZSNZRFM-CYBMUJFWSA-N -1 3 396.407 0.670 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3nncn3C)C2)c1-c1nnn[n-]1 ZINC000822315006 599601839 /nfs/dbraw/zinc/60/18/39/599601839.db2.gz XRNLPNVNZDLGEG-GFCCVEGCSA-N -1 3 395.427 0.648 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](c3nncn3C)C2)c1-c1nn[n-]n1 ZINC000822315006 599601840 /nfs/dbraw/zinc/60/18/40/599601840.db2.gz XRNLPNVNZDLGEG-GFCCVEGCSA-N -1 3 395.427 0.648 20 0 GCADHM Cc1cc(CN2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)on1 ZINC000822199694 599602119 /nfs/dbraw/zinc/60/21/19/599602119.db2.gz DRJUQVZLAGJVMJ-UHFFFAOYSA-N -1 3 389.441 0.670 20 0 GCADHM Cc1cc(CN2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)on1 ZINC000822199694 599602121 /nfs/dbraw/zinc/60/21/21/599602121.db2.gz DRJUQVZLAGJVMJ-UHFFFAOYSA-N -1 3 389.441 0.670 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000819802725 599602343 /nfs/dbraw/zinc/60/23/43/599602343.db2.gz HZBWOVDISUWSJH-ZDUSSCGKSA-N -1 3 385.428 0.488 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000819802725 599602346 /nfs/dbraw/zinc/60/23/46/599602346.db2.gz HZBWOVDISUWSJH-ZDUSSCGKSA-N -1 3 385.428 0.488 20 0 GCADHM CN1CC[C@H](NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000736858419 599602579 /nfs/dbraw/zinc/60/25/79/599602579.db2.gz WZWNDQFNQDASQH-HNNXBMFYSA-N -1 3 385.428 0.650 20 0 GCADHM CN1CC[C@@H](NC(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)C1=O ZINC000736857011 599602942 /nfs/dbraw/zinc/60/29/42/599602942.db2.gz QUJBOQGGJKNHIM-GFCCVEGCSA-N -1 3 388.407 0.068 20 0 GCADHM CN1CC[C@@H](NC(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1=O ZINC000736857011 599602944 /nfs/dbraw/zinc/60/29/44/599602944.db2.gz QUJBOQGGJKNHIM-GFCCVEGCSA-N -1 3 388.407 0.068 20 0 GCADHM O=C(NCCn1cccn1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823229540 599603670 /nfs/dbraw/zinc/60/36/70/599603670.db2.gz WWZKAPMZJKJIGR-UHFFFAOYSA-N -1 3 394.317 0.837 20 0 GCADHM O=C(NCCn1cccn1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823229540 599603671 /nfs/dbraw/zinc/60/36/71/599603671.db2.gz WWZKAPMZJKJIGR-UHFFFAOYSA-N -1 3 394.317 0.837 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)c1-c1nnn[n-]1 ZINC000822308275 599604255 /nfs/dbraw/zinc/60/42/55/599604255.db2.gz BMNNMYDXRJXVHA-UHFFFAOYSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)c1-c1nn[n-]n1 ZINC000822308275 599604256 /nfs/dbraw/zinc/60/42/56/599604256.db2.gz BMNNMYDXRJXVHA-UHFFFAOYSA-N -1 3 397.439 0.727 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000738036957 599604278 /nfs/dbraw/zinc/60/42/78/599604278.db2.gz BEVCAPWFWJCLSD-UHFFFAOYSA-N -1 3 380.412 0.726 20 0 GCADHM Cc1noc(C)c1C[C@H](C)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737538330 599604286 /nfs/dbraw/zinc/60/42/86/599604286.db2.gz NLOXPIGEWJONQZ-JTQLQIEISA-N -1 3 383.412 0.949 20 0 GCADHM Cc1noc(C)c1C[C@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737538330 599604287 /nfs/dbraw/zinc/60/42/87/599604287.db2.gz NLOXPIGEWJONQZ-JTQLQIEISA-N -1 3 383.412 0.949 20 0 GCADHM COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826148508 607386019 /nfs/dbraw/zinc/38/60/19/607386019.db2.gz KKYRPSZJWFIOGT-JTQLQIEISA-N -1 3 376.373 0.193 20 0 GCADHM COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826148508 607386021 /nfs/dbraw/zinc/38/60/21/607386021.db2.gz KKYRPSZJWFIOGT-JTQLQIEISA-N -1 3 376.373 0.193 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)CC2 ZINC000822462686 599605337 /nfs/dbraw/zinc/60/53/37/599605337.db2.gz LVKMONRUTMDVJH-NSHDSACASA-N -1 3 381.400 0.145 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)CC2 ZINC000822462686 599605339 /nfs/dbraw/zinc/60/53/39/599605339.db2.gz LVKMONRUTMDVJH-NSHDSACASA-N -1 3 381.400 0.145 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCn3c(nnc3C3CC3)C2)c1-c1nnn[n-]1 ZINC000822312133 599605842 /nfs/dbraw/zinc/60/58/42/599605842.db2.gz AWWHDJBBUGQTJX-UHFFFAOYSA-N -1 3 393.411 0.625 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCn3c(nnc3C3CC3)C2)c1-c1nn[n-]n1 ZINC000822312133 599605844 /nfs/dbraw/zinc/60/58/44/599605844.db2.gz AWWHDJBBUGQTJX-UHFFFAOYSA-N -1 3 393.411 0.625 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N[C@@H](CO)C1CC1 ZINC000823303709 599606161 /nfs/dbraw/zinc/60/61/61/599606161.db2.gz RTWNJVXCNNRCMN-NSHDSACASA-N -1 3 384.318 0.711 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N[C@@H](CO)C1CC1 ZINC000823303709 599606163 /nfs/dbraw/zinc/60/61/63/599606163.db2.gz RTWNJVXCNNRCMN-NSHDSACASA-N -1 3 384.318 0.711 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)c1cnn(C)c1 ZINC000821400563 599608494 /nfs/dbraw/zinc/60/84/94/599608494.db2.gz LLUZPTUQJLLCJT-JTQLQIEISA-N -1 3 384.400 0.815 20 0 GCADHM CCOC(=O)CCCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825506841 607386092 /nfs/dbraw/zinc/38/60/92/607386092.db2.gz OISFNEUREXRNEK-UHFFFAOYSA-N -1 3 375.385 0.791 20 0 GCADHM CCOC(=O)CCCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825506841 607386094 /nfs/dbraw/zinc/38/60/94/607386094.db2.gz OISFNEUREXRNEK-UHFFFAOYSA-N -1 3 375.385 0.791 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCC[C@H](O)CC ZINC000821400608 599609516 /nfs/dbraw/zinc/60/95/16/599609516.db2.gz MIMDDTXORVWVLB-GFCCVEGCSA-N -1 3 376.417 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCC[C@H](O)CC ZINC000821400608 599609518 /nfs/dbraw/zinc/60/95/18/599609518.db2.gz MIMDDTXORVWVLB-GFCCVEGCSA-N -1 3 376.417 0.871 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000822680981 599610804 /nfs/dbraw/zinc/61/08/04/599610804.db2.gz RWXXFDMLGPXPFN-AWEZNQCLSA-N -1 3 395.427 0.324 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000822680981 599610806 /nfs/dbraw/zinc/61/08/06/599610806.db2.gz RWXXFDMLGPXPFN-AWEZNQCLSA-N -1 3 395.427 0.324 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@@H]1CCOC1 ZINC000820315604 599610987 /nfs/dbraw/zinc/61/09/87/599610987.db2.gz ONYAPWSYJUDUPA-WCBMZHEXSA-N -1 3 396.354 0.948 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@@H]1CCOC1 ZINC000820315604 599610988 /nfs/dbraw/zinc/61/09/88/599610988.db2.gz ONYAPWSYJUDUPA-WCBMZHEXSA-N -1 3 396.354 0.948 20 0 GCADHM COc1ccncc1NC(=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821903958 599611521 /nfs/dbraw/zinc/61/15/21/599611521.db2.gz ORCGNELTJZXZSU-UHFFFAOYSA-N -1 3 383.368 0.404 20 0 GCADHM COCCOC[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821691821 599611570 /nfs/dbraw/zinc/61/15/70/599611570.db2.gz GCWCQZPBZHTKRU-VIFPVBQESA-N -1 3 382.808 0.626 20 0 GCADHM COCCOC[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821691821 599611572 /nfs/dbraw/zinc/61/15/72/599611572.db2.gz GCWCQZPBZHTKRU-VIFPVBQESA-N -1 3 382.808 0.626 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC(c2cc[nH]n2)CC1 ZINC000738077980 599613762 /nfs/dbraw/zinc/61/37/62/599613762.db2.gz KPTBKVVRZOFVJC-UHFFFAOYSA-N -1 3 382.432 0.986 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC(c2cc[nH]n2)CC1 ZINC000738077980 599613765 /nfs/dbraw/zinc/61/37/65/599613765.db2.gz KPTBKVVRZOFVJC-UHFFFAOYSA-N -1 3 382.432 0.986 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000820152217 599613885 /nfs/dbraw/zinc/61/38/85/599613885.db2.gz UMIGGAROKFYFAY-OCCSQVGLSA-N -1 3 388.428 0.870 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000820152217 599613886 /nfs/dbraw/zinc/61/38/86/599613886.db2.gz UMIGGAROKFYFAY-OCCSQVGLSA-N -1 3 388.428 0.870 20 0 GCADHM O=C(NC[C@@H]1CCC[C@H]1O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823175479 599614985 /nfs/dbraw/zinc/61/49/85/599614985.db2.gz JPELLDDWPUKZLF-GXSJLCMTSA-N -1 3 396.354 0.684 20 0 GCADHM O=C(NC[C@@H]1CCC[C@H]1O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823175479 599614986 /nfs/dbraw/zinc/61/49/86/599614986.db2.gz JPELLDDWPUKZLF-GXSJLCMTSA-N -1 3 396.354 0.684 20 0 GCADHM CC(C)N1C(=O)CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1(C)C ZINC000820121376 599615441 /nfs/dbraw/zinc/61/54/41/599615441.db2.gz RBOGPBNPFMOGFZ-UHFFFAOYSA-N -1 3 385.428 0.663 20 0 GCADHM CC(C)N1C(=O)CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1(C)C ZINC000820121376 599615442 /nfs/dbraw/zinc/61/54/42/599615442.db2.gz RBOGPBNPFMOGFZ-UHFFFAOYSA-N -1 3 385.428 0.663 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000821756982 599616690 /nfs/dbraw/zinc/61/66/90/599616690.db2.gz SNRJGVCTCRJGMA-LBPRGKRZSA-N -1 3 397.399 0.269 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](C)CCO ZINC000820243035 599616807 /nfs/dbraw/zinc/61/68/07/599616807.db2.gz UHQFJGJDXVWDGV-NSHDSACASA-N -1 3 376.417 0.727 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](C)CCO ZINC000820243035 599616809 /nfs/dbraw/zinc/61/68/09/599616809.db2.gz UHQFJGJDXVWDGV-NSHDSACASA-N -1 3 376.417 0.727 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820316758 599616909 /nfs/dbraw/zinc/61/69/09/599616909.db2.gz XSOJUPFOCZXCJP-SECBINFHSA-N -1 3 397.370 0.921 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000820316758 599616911 /nfs/dbraw/zinc/61/69/11/599616911.db2.gz XSOJUPFOCZXCJP-SECBINFHSA-N -1 3 397.370 0.921 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000737738526 599617095 /nfs/dbraw/zinc/61/70/95/599617095.db2.gz JPNGUXUKUQRWCR-IUCAKERBSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000737738526 599617097 /nfs/dbraw/zinc/61/70/97/599617097.db2.gz JPNGUXUKUQRWCR-IUCAKERBSA-N -1 3 391.819 0.619 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820315921 599617266 /nfs/dbraw/zinc/61/72/66/599617266.db2.gz QSTUIWQZZGUBQA-SNVBAGLBSA-N -1 3 379.380 0.782 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820315921 599617268 /nfs/dbraw/zinc/61/72/68/599617268.db2.gz QSTUIWQZZGUBQA-SNVBAGLBSA-N -1 3 379.380 0.782 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000822904352 599622445 /nfs/dbraw/zinc/62/24/45/599622445.db2.gz WGZCHHYROWGEOM-UHFFFAOYSA-N -1 3 396.411 0.780 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000822904352 599622446 /nfs/dbraw/zinc/62/24/46/599622446.db2.gz WGZCHHYROWGEOM-UHFFFAOYSA-N -1 3 396.411 0.780 20 0 GCADHM CC[C@H](CO)N1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000820909408 599642347 /nfs/dbraw/zinc/64/23/47/599642347.db2.gz VOHGZEIDOSRMTP-TZMCWYRMSA-N -1 3 391.476 0.792 20 0 GCADHM Cn1cc(N2CCC[C@H](OC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000822681685 599648829 /nfs/dbraw/zinc/64/88/29/599648829.db2.gz ZYAOMTVRFVOBRF-HNNXBMFYSA-N -1 3 397.395 0.718 20 0 GCADHM Cn1cc(N2CCC[C@H](OC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000822681685 599648830 /nfs/dbraw/zinc/64/88/30/599648830.db2.gz ZYAOMTVRFVOBRF-HNNXBMFYSA-N -1 3 397.395 0.718 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822964653 599650574 /nfs/dbraw/zinc/65/05/74/599650574.db2.gz NFIFGHJNVQPOAX-UHFFFAOYSA-N -1 3 397.351 0.499 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822964653 599650575 /nfs/dbraw/zinc/65/05/75/599650575.db2.gz NFIFGHJNVQPOAX-UHFFFAOYSA-N -1 3 397.351 0.499 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000822928554 599652504 /nfs/dbraw/zinc/65/25/04/599652504.db2.gz KAGRJLNQQBQBJD-AWKYCCQQSA-N -1 3 381.396 0.374 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000822928554 599652505 /nfs/dbraw/zinc/65/25/05/599652505.db2.gz KAGRJLNQQBQBJD-AWKYCCQQSA-N -1 3 381.396 0.374 20 0 GCADHM CCN1C[C@H](C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1=O ZINC000821241846 599654485 /nfs/dbraw/zinc/65/44/85/599654485.db2.gz PCLXNJBGVNDSQX-GFCCVEGCSA-N -1 3 383.368 0.828 20 0 GCADHM CCN1C[C@H](C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1=O ZINC000821241846 599654486 /nfs/dbraw/zinc/65/44/86/599654486.db2.gz PCLXNJBGVNDSQX-GFCCVEGCSA-N -1 3 383.368 0.828 20 0 GCADHM C[C@H](C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)N1C(=O)CCC1=O ZINC000819884672 599656637 /nfs/dbraw/zinc/65/66/37/599656637.db2.gz YOCHICXDCVXUQT-SECBINFHSA-N -1 3 397.351 0.497 20 0 GCADHM C[C@H](C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)N1C(=O)CCC1=O ZINC000819884672 599656638 /nfs/dbraw/zinc/65/66/38/599656638.db2.gz YOCHICXDCVXUQT-SECBINFHSA-N -1 3 397.351 0.497 20 0 GCADHM Cn1cc(N2CCC[C@@H](OC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822679499 599657390 /nfs/dbraw/zinc/65/73/90/599657390.db2.gz DMFGULJBMPAHJA-OAHLLOKOSA-N -1 3 397.395 0.718 20 0 GCADHM Cn1cc(N2CCC[C@@H](OC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822679499 599657391 /nfs/dbraw/zinc/65/73/91/599657391.db2.gz DMFGULJBMPAHJA-OAHLLOKOSA-N -1 3 397.395 0.718 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)C(=O)NC(N)=O ZINC000820486404 599657878 /nfs/dbraw/zinc/65/78/78/599657878.db2.gz BDENPBOEGXULGQ-CABZTGNLSA-N -1 3 376.373 0.397 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)C(=O)NC(N)=O ZINC000820486404 599657879 /nfs/dbraw/zinc/65/78/79/599657879.db2.gz BDENPBOEGXULGQ-CABZTGNLSA-N -1 3 376.373 0.397 20 0 GCADHM O=C(CCN1CCCC1=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822965049 599660216 /nfs/dbraw/zinc/66/02/16/599660216.db2.gz YEBKMSFIRPJKSJ-UHFFFAOYSA-N -1 3 383.368 0.972 20 0 GCADHM O=C(CCN1CCCC1=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822965049 599660217 /nfs/dbraw/zinc/66/02/17/599660217.db2.gz YEBKMSFIRPJKSJ-UHFFFAOYSA-N -1 3 383.368 0.972 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820467101 599671153 /nfs/dbraw/zinc/67/11/53/599671153.db2.gz ANMLIPFKYVGELZ-RNCFNFMXSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820467101 599671154 /nfs/dbraw/zinc/67/11/54/599671154.db2.gz ANMLIPFKYVGELZ-RNCFNFMXSA-N -1 3 379.392 0.961 20 0 GCADHM CC[C@H](C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000820847948 599671224 /nfs/dbraw/zinc/67/12/24/599671224.db2.gz NLNLQCQKLBSDOM-CQSZACIVSA-N -1 3 386.412 0.427 20 0 GCADHM CC[C@H](C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000820847948 599671225 /nfs/dbraw/zinc/67/12/25/599671225.db2.gz NLNLQCQKLBSDOM-CQSZACIVSA-N -1 3 386.412 0.427 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@@H](n2cncn2)C1 ZINC000823205912 599673513 /nfs/dbraw/zinc/67/35/13/599673513.db2.gz BWAXSLKGGUSHJT-GFCCVEGCSA-N -1 3 383.420 0.312 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@@H](n2cncn2)C1 ZINC000823205912 599673514 /nfs/dbraw/zinc/67/35/14/599673514.db2.gz BWAXSLKGGUSHJT-GFCCVEGCSA-N -1 3 383.420 0.312 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820813197 599673995 /nfs/dbraw/zinc/67/39/95/599673995.db2.gz APEJYBQZKNMVNC-CYBMUJFWSA-N -1 3 375.433 0.265 20 0 GCADHM O=C(NC[C@H]1CCC[C@@H]1O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823176467 599674449 /nfs/dbraw/zinc/67/44/49/599674449.db2.gz UBLRXJAIPWUPFZ-DOMZBBRYSA-N -1 3 386.460 0.691 20 0 GCADHM O=C(NC[C@H]1CCC[C@@H]1O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823176467 599674450 /nfs/dbraw/zinc/67/44/50/599674450.db2.gz UBLRXJAIPWUPFZ-DOMZBBRYSA-N -1 3 386.460 0.691 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819789794 599676803 /nfs/dbraw/zinc/67/68/03/599676803.db2.gz YBIRXBWXBRRTHP-UHFFFAOYSA-N -1 3 387.444 0.898 20 0 GCADHM COCCOC[C@@H](C)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000821692390 599677184 /nfs/dbraw/zinc/67/71/84/599677184.db2.gz WEDTWHDJJRBSJL-CYBMUJFWSA-N -1 3 390.448 0.145 20 0 GCADHM COCCOC[C@@H](C)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000821692390 599677185 /nfs/dbraw/zinc/67/71/85/599677185.db2.gz WEDTWHDJJRBSJL-CYBMUJFWSA-N -1 3 390.448 0.145 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000823210760 599677417 /nfs/dbraw/zinc/67/74/17/599677417.db2.gz DFSFDCURYLHPSE-INIZCTEOSA-N -1 3 398.427 0.553 20 0 GCADHM C[C@H]1CN=C(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)S1 ZINC000820803663 599682775 /nfs/dbraw/zinc/68/27/75/599682775.db2.gz DTTNQZBBQICKSX-NSHDSACASA-N -1 3 393.498 0.664 20 0 GCADHM C[C@H]1CN=C(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)S1 ZINC000820803663 599682776 /nfs/dbraw/zinc/68/27/76/599682776.db2.gz DTTNQZBBQICKSX-NSHDSACASA-N -1 3 393.498 0.664 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2cccc(-c3nnn[n-]3)c2)cn1C ZINC000821668215 599682987 /nfs/dbraw/zinc/68/29/87/599682987.db2.gz VIXLZKNQOTUWHW-UHFFFAOYSA-N -1 3 376.398 0.470 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)cn1C ZINC000821668215 599682988 /nfs/dbraw/zinc/68/29/88/599682988.db2.gz VIXLZKNQOTUWHW-UHFFFAOYSA-N -1 3 376.398 0.470 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cn1C ZINC000821667834 599682990 /nfs/dbraw/zinc/68/29/90/599682990.db2.gz CFMZWZUNFGWKCP-UHFFFAOYSA-N -1 3 390.425 0.813 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cn1C ZINC000821667834 599682991 /nfs/dbraw/zinc/68/29/91/599682991.db2.gz CFMZWZUNFGWKCP-UHFFFAOYSA-N -1 3 390.425 0.813 20 0 GCADHM Cn1ccnc(N2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)c1=O ZINC000822694211 599687009 /nfs/dbraw/zinc/68/70/09/599687009.db2.gz YXCNEBFRDPFULX-UHFFFAOYSA-N -1 3 379.428 0.171 20 0 GCADHM Cn1ccnc(N2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)c1=O ZINC000822694211 599687010 /nfs/dbraw/zinc/68/70/10/599687010.db2.gz YXCNEBFRDPFULX-UHFFFAOYSA-N -1 3 379.428 0.171 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819892218 599692022 /nfs/dbraw/zinc/69/20/22/599692022.db2.gz ZKRXMCJJORXSCL-UHFFFAOYSA-N -1 3 389.485 0.367 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819892218 599692023 /nfs/dbraw/zinc/69/20/23/599692023.db2.gz ZKRXMCJJORXSCL-UHFFFAOYSA-N -1 3 389.485 0.367 20 0 GCADHM C[C@]1(C2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820612949 599692278 /nfs/dbraw/zinc/69/22/78/599692278.db2.gz OJCGECPCARXDQX-GOSISDBHSA-N -1 3 399.411 0.082 20 0 GCADHM C[C@]1(C2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820612949 599692279 /nfs/dbraw/zinc/69/22/79/599692279.db2.gz OJCGECPCARXDQX-GOSISDBHSA-N -1 3 399.411 0.082 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000819933479 599692498 /nfs/dbraw/zinc/69/24/98/599692498.db2.gz SVKZTLSOUZOHEU-ZIAGYGMSSA-N -1 3 388.428 0.853 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000819933479 599692499 /nfs/dbraw/zinc/69/24/99/599692499.db2.gz SVKZTLSOUZOHEU-ZIAGYGMSSA-N -1 3 388.428 0.853 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000822220385 599693168 /nfs/dbraw/zinc/69/31/68/599693168.db2.gz PEQYTJDMSLRKMS-PIGZYNQJSA-N -1 3 384.400 0.675 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O ZINC000822220385 599693169 /nfs/dbraw/zinc/69/31/69/599693169.db2.gz PEQYTJDMSLRKMS-PIGZYNQJSA-N -1 3 384.400 0.675 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823176413 599693794 /nfs/dbraw/zinc/69/37/94/599693794.db2.gz TXWWJMJKUJOQJU-ZKANADHPSA-N -1 3 388.363 0.506 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823176413 599693795 /nfs/dbraw/zinc/69/37/95/599693795.db2.gz TXWWJMJKUJOQJU-ZKANADHPSA-N -1 3 388.363 0.506 20 0 GCADHM CNC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821632778 599694834 /nfs/dbraw/zinc/69/48/34/599694834.db2.gz IXFKASLSGGKHMD-UHFFFAOYSA-N -1 3 382.421 0.543 20 0 GCADHM CNC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821632778 599694835 /nfs/dbraw/zinc/69/48/35/599694835.db2.gz IXFKASLSGGKHMD-UHFFFAOYSA-N -1 3 382.421 0.543 20 0 GCADHM Cn1cc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)CC2)cn1 ZINC000822685004 599694873 /nfs/dbraw/zinc/69/48/73/599694873.db2.gz ONRSCYLTDNTBAU-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM Cn1cc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)CC2)cn1 ZINC000822685004 599694874 /nfs/dbraw/zinc/69/48/74/599694874.db2.gz ONRSCYLTDNTBAU-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM NC(=O)c1nccnc1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822889868 599695913 /nfs/dbraw/zinc/69/59/13/599695913.db2.gz GUGFSSFVYMWREK-UHFFFAOYSA-N -1 3 384.425 0.419 20 0 GCADHM NC(=O)c1nccnc1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822889868 599695914 /nfs/dbraw/zinc/69/59/14/599695914.db2.gz GUGFSSFVYMWREK-UHFFFAOYSA-N -1 3 384.425 0.419 20 0 GCADHM COC(=O)[C@H]1CCC[C@H](C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000821655979 599696128 /nfs/dbraw/zinc/69/61/28/599696128.db2.gz VGMBNHVDFTYTNU-GJZGRUSLSA-N -1 3 399.455 0.890 20 0 GCADHM COC(=O)[C@H]1CCC[C@H](C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821655979 599696129 /nfs/dbraw/zinc/69/61/29/599696129.db2.gz VGMBNHVDFTYTNU-GJZGRUSLSA-N -1 3 399.455 0.890 20 0 GCADHM O=C(c1csc2cncn21)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823498221 599696229 /nfs/dbraw/zinc/69/62/29/599696229.db2.gz HSHJWWJUCWXLGF-UHFFFAOYSA-N -1 3 381.425 0.933 20 0 GCADHM O=C(c1csc2cncn21)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823498221 599696230 /nfs/dbraw/zinc/69/62/30/599696230.db2.gz HSHJWWJUCWXLGF-UHFFFAOYSA-N -1 3 381.425 0.933 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)Cn1nnc2ccccc2c1=O ZINC000821699247 599697601 /nfs/dbraw/zinc/69/76/01/599697601.db2.gz ICJYFMLFQREQOL-UHFFFAOYSA-N -1 3 379.336 0.586 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)Cn1nnc2ccccc2c1=O ZINC000821699247 599697602 /nfs/dbraw/zinc/69/76/02/599697602.db2.gz ICJYFMLFQREQOL-UHFFFAOYSA-N -1 3 379.336 0.586 20 0 GCADHM CCN1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000737116175 599722164 /nfs/dbraw/zinc/72/21/64/599722164.db2.gz OCYNRFYBGIKFHO-UHFFFAOYSA-N -1 3 381.408 0.608 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000826251536 607389684 /nfs/dbraw/zinc/38/96/84/607389684.db2.gz SLXJGEMLNLOVNV-NSHDSACASA-N -1 3 386.412 0.457 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000826251536 607389685 /nfs/dbraw/zinc/38/96/85/607389685.db2.gz SLXJGEMLNLOVNV-NSHDSACASA-N -1 3 386.412 0.457 20 0 GCADHM COC(=O)C[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821658655 607390562 /nfs/dbraw/zinc/39/05/62/607390562.db2.gz DNFGKQFXKCEDAF-VIFPVBQESA-N -1 3 387.368 0.861 20 0 GCADHM COC(=O)C[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821658655 607390564 /nfs/dbraw/zinc/39/05/64/607390564.db2.gz DNFGKQFXKCEDAF-VIFPVBQESA-N -1 3 387.368 0.861 20 0 GCADHM CNC(=O)[C@H](NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)C(C)C ZINC000821631300 607391826 /nfs/dbraw/zinc/39/18/26/607391826.db2.gz FEZOLUMUBSNLMJ-OAHLLOKOSA-N -1 3 386.460 0.469 20 0 GCADHM CNC(=O)[C@H](NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)C(C)C ZINC000821631300 607391828 /nfs/dbraw/zinc/39/18/28/607391828.db2.gz FEZOLUMUBSNLMJ-OAHLLOKOSA-N -1 3 386.460 0.469 20 0 GCADHM CNC(=O)[C@@H](NC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821631598 607392282 /nfs/dbraw/zinc/39/22/82/607392282.db2.gz NFVGHXWIJJKIAW-HNNXBMFYSA-N -1 3 389.460 0.795 20 0 GCADHM CNC(=O)[C@@H](NC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821631598 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387.396 0.883 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCN1CCCS1(=O)=O ZINC000820549869 607503857 /nfs/dbraw/zinc/50/38/57/607503857.db2.gz SRIPAUWEIHIWBF-LLVKDONJSA-N -1 3 381.414 0.213 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCN1CCCS1(=O)=O ZINC000820549869 607503859 /nfs/dbraw/zinc/50/38/59/607503859.db2.gz SRIPAUWEIHIWBF-LLVKDONJSA-N -1 3 381.414 0.213 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)CCO ZINC000824641387 607511386 /nfs/dbraw/zinc/51/13/86/607511386.db2.gz VHCSKTOLLYWBEH-NSHDSACASA-N -1 3 396.473 0.058 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)CCO ZINC000824641387 607511389 /nfs/dbraw/zinc/51/13/89/607511389.db2.gz VHCSKTOLLYWBEH-NSHDSACASA-N -1 3 396.473 0.058 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)CCO ZINC000824641386 607511914 /nfs/dbraw/zinc/51/19/14/607511914.db2.gz VHCSKTOLLYWBEH-LLVKDONJSA-N -1 3 396.473 0.058 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)CCO ZINC000824641386 607511916 /nfs/dbraw/zinc/51/19/16/607511916.db2.gz VHCSKTOLLYWBEH-LLVKDONJSA-N -1 3 396.473 0.058 20 0 GCADHM COc1ccc(CN2CCO[C@@H](CNc3cccnn3)C2)cc1-c1nnn[n-]1 ZINC000826195194 607508721 /nfs/dbraw/zinc/50/87/21/607508721.db2.gz KYZPTKGHXGMIOP-AWEZNQCLSA-N -1 3 382.428 0.978 20 0 GCADHM COc1ccc(CN2CCO[C@@H](CNc3cccnn3)C2)cc1-c1nn[n-]n1 ZINC000826195194 607508722 /nfs/dbraw/zinc/50/87/22/607508722.db2.gz KYZPTKGHXGMIOP-AWEZNQCLSA-N -1 3 382.428 0.978 20 0 GCADHM COC[C@@](C)(CC(=O)[O-])NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C ZINC000831573524 601490395 /nfs/dbraw/zinc/49/03/95/601490395.db2.gz PPFJYDTXFBIYGR-PIGZYNQJSA-N -1 3 399.469 0.081 20 0 GCADHM CN1CCC2(CC1)NC(=O)N(CN(CCC(=O)[O-])Cc1ccncc1)C2=O ZINC000830929347 601560382 /nfs/dbraw/zinc/56/03/82/601560382.db2.gz YJGNLOILIQWIBP-UHFFFAOYSA-N -1 3 375.429 0.332 20 0 GCADHM CN1CCN(CCCCNS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)CC1 ZINC000830949114 601570660 /nfs/dbraw/zinc/57/06/60/601570660.db2.gz AVRQXWXEIRCUID-UHFFFAOYSA-N -1 3 391.440 0.969 20 0 GCADHM CC(C)(C)n1cc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000824147241 607514729 /nfs/dbraw/zinc/51/47/29/607514729.db2.gz BAMXBFCBWZDMSX-UHFFFAOYSA-N -1 3 398.431 0.380 20 0 GCADHM CC(C)(C)n1cc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000824147241 607514730 /nfs/dbraw/zinc/51/47/30/607514730.db2.gz BAMXBFCBWZDMSX-UHFFFAOYSA-N -1 3 398.431 0.380 20 0 GCADHM CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000829671596 601576495 /nfs/dbraw/zinc/57/64/95/601576495.db2.gz HBGJOPUOOPTUJZ-UHFFFAOYSA-N -1 3 390.487 0.016 20 0 GCADHM CCNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000825466280 607515516 /nfs/dbraw/zinc/51/55/16/607515516.db2.gz YOHSKGLGCZBLBO-UHFFFAOYSA-N -1 3 389.416 0.092 20 0 GCADHM CCNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000825466280 607515517 /nfs/dbraw/zinc/51/55/17/607515517.db2.gz YOHSKGLGCZBLBO-UHFFFAOYSA-N -1 3 389.416 0.092 20 0 GCADHM CCN1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC000829745861 601601903 /nfs/dbraw/zinc/60/19/03/601601903.db2.gz TZGFRIFMWHZIKS-IUODEOHRSA-N -1 3 390.440 0.286 20 0 GCADHM Cc1c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000832850538 601668330 /nfs/dbraw/zinc/66/83/30/601668330.db2.gz VJQDNDDLLRHGMD-HNNXBMFYSA-N -1 3 399.451 0.879 20 0 GCADHM Cn1ccnc1N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826364711 607523597 /nfs/dbraw/zinc/52/35/97/607523597.db2.gz HPSOTORAHBBREU-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM Cn1ccnc1N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826364711 607523598 /nfs/dbraw/zinc/52/35/98/607523598.db2.gz HPSOTORAHBBREU-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM O=C(CN1CCC(N2CCCNC2=O)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826410541 607525981 /nfs/dbraw/zinc/52/59/81/607525981.db2.gz QEHOOGGIFPFAMA-UHFFFAOYSA-N -1 3 384.444 0.685 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000826116602 607526099 /nfs/dbraw/zinc/52/60/99/607526099.db2.gz BEQGNPWUWHVZOA-HNNXBMFYSA-N -1 3 399.411 0.663 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000826116602 607526101 /nfs/dbraw/zinc/52/61/01/607526101.db2.gz BEQGNPWUWHVZOA-HNNXBMFYSA-N -1 3 399.411 0.663 20 0 GCADHM CCN1CCO[C@@H](C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000829781210 601776730 /nfs/dbraw/zinc/77/67/30/601776730.db2.gz RCGFIAMHSKIKJS-YLJYHZDGSA-N -1 3 375.469 0.943 20 0 GCADHM S=C(NC[C@H]1CCOC1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826512012 607531319 /nfs/dbraw/zinc/53/13/19/607531319.db2.gz LQNNBAPPYLKVNU-OAHLLOKOSA-N -1 3 387.513 0.895 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)CONC(=N)COc2cccc(C(=O)[O-])c2)C1 ZINC000825870842 601902160 /nfs/dbraw/zinc/90/21/60/601902160.db2.gz GLAKQUYFIBBDIQ-CQSZACIVSA-N -1 3 392.412 0.389 20 0 GCADHM COc1ccc(Cl)cc1NC(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000832374182 602061686 /nfs/dbraw/zinc/06/16/86/602061686.db2.gz XKNAUZNXEFVTHB-UHFFFAOYSA-N -1 3 390.845 0.909 20 0 GCADHM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825307613 607544702 /nfs/dbraw/zinc/54/47/02/607544702.db2.gz HJSJRWCIZBOTJX-LBPRGKRZSA-N -1 3 399.498 0.763 20 0 GCADHM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825307613 607544704 /nfs/dbraw/zinc/54/47/04/607544704.db2.gz HJSJRWCIZBOTJX-LBPRGKRZSA-N -1 3 399.498 0.763 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)c1-c1nnn[n-]1 ZINC000826301699 607546007 /nfs/dbraw/zinc/54/60/07/607546007.db2.gz MVYPSBVPAPUMLH-UHFFFAOYSA-N -1 3 379.446 0.163 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)c1-c1nn[n-]n1 ZINC000826301699 607546009 /nfs/dbraw/zinc/54/60/09/607546009.db2.gz MVYPSBVPAPUMLH-UHFFFAOYSA-N -1 3 379.446 0.163 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)CN1CCN(C)CC1 ZINC000737670006 602128528 /nfs/dbraw/zinc/12/85/28/602128528.db2.gz VPGPIUYSMTUQMU-CQSZACIVSA-N -1 3 376.457 0.252 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1-c1nnn[n-]1 ZINC000826301785 607550881 /nfs/dbraw/zinc/55/08/81/607550881.db2.gz POQKEECFZCHIKD-QWHCGFSZSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC000826301785 607550883 /nfs/dbraw/zinc/55/08/83/607550883.db2.gz POQKEECFZCHIKD-QWHCGFSZSA-N -1 3 379.442 0.744 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825599344 607551097 /nfs/dbraw/zinc/55/10/97/607551097.db2.gz KWPBSWDRWNKLTJ-HNNXBMFYSA-N -1 3 388.428 0.251 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825599344 607551098 /nfs/dbraw/zinc/55/10/98/607551098.db2.gz KWPBSWDRWNKLTJ-HNNXBMFYSA-N -1 3 388.428 0.251 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](N3CCCC3=O)C2)c1-c1nnn[n-]1 ZINC000826302029 607547583 /nfs/dbraw/zinc/54/75/83/607547583.db2.gz YMSZVNQGHWEFPA-ZDUSSCGKSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](N3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC000826302029 607547584 /nfs/dbraw/zinc/54/75/84/607547584.db2.gz YMSZVNQGHWEFPA-ZDUSSCGKSA-N -1 3 390.469 0.951 20 0 GCADHM CC[C@H](C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1)N(C)C ZINC000828587609 602173926 /nfs/dbraw/zinc/17/39/26/602173926.db2.gz VGKHCIDTNXMVLA-GFCCVEGCSA-N -1 3 389.499 0.619 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)C[C@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826301009 607548802 /nfs/dbraw/zinc/54/88/02/607548802.db2.gz OTELUYGHUPTMPO-LLVKDONJSA-N -1 3 385.471 0.230 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)C[C@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826301009 607548803 /nfs/dbraw/zinc/54/88/03/607548803.db2.gz OTELUYGHUPTMPO-LLVKDONJSA-N -1 3 385.471 0.230 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000830934573 602221501 /nfs/dbraw/zinc/22/15/01/602221501.db2.gz HSNRNHSSRCTPOV-ZDUSSCGKSA-N -1 3 399.444 0.451 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000830934273 602221736 /nfs/dbraw/zinc/22/17/36/602221736.db2.gz CRNRNOZSXYSWNS-MRXNPFEDSA-N -1 3 395.481 0.241 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000830934769 602221804 /nfs/dbraw/zinc/22/18/04/602221804.db2.gz KJWFQUCFPQSYQH-MRXNPFEDSA-N -1 3 395.481 0.453 20 0 GCADHM Cc1oc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C(=O)[O-] ZINC000833028580 602222605 /nfs/dbraw/zinc/22/26/05/602222605.db2.gz VDELSYZDALLHOY-ZDUSSCGKSA-N -1 3 385.442 0.213 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000825599624 607553314 /nfs/dbraw/zinc/55/33/14/607553314.db2.gz OJMXKNZNKPSWSE-AWEZNQCLSA-N -1 3 391.428 0.908 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000825599624 607553316 /nfs/dbraw/zinc/55/33/16/607553316.db2.gz OJMXKNZNKPSWSE-AWEZNQCLSA-N -1 3 391.428 0.908 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC000830935341 602236058 /nfs/dbraw/zinc/23/60/58/602236058.db2.gz WPPCHFRQFGWYJJ-LBPRGKRZSA-N -1 3 381.458 0.541 20 0 GCADHM COC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826149690 607555221 /nfs/dbraw/zinc/55/52/21/607555221.db2.gz MXIQWROIUFBOKI-HZMBPMFUSA-N -1 3 394.457 0.075 20 0 GCADHM COC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826149690 607555223 /nfs/dbraw/zinc/55/52/23/607555223.db2.gz MXIQWROIUFBOKI-HZMBPMFUSA-N -1 3 394.457 0.075 20 0 GCADHM Cc1ccc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c(N(C)C)n1 ZINC000826290719 607556796 /nfs/dbraw/zinc/55/67/96/607556796.db2.gz XBQUNIYASTWHPP-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1ccc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c(N(C)C)n1 ZINC000826290719 607556800 /nfs/dbraw/zinc/55/68/00/607556800.db2.gz XBQUNIYASTWHPP-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000826185055 607560053 /nfs/dbraw/zinc/56/00/53/607560053.db2.gz WXEVDFNQYFRHLS-QWHCGFSZSA-N -1 3 386.412 0.699 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000826185055 607560054 /nfs/dbraw/zinc/56/00/54/607560054.db2.gz WXEVDFNQYFRHLS-QWHCGFSZSA-N -1 3 386.412 0.699 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826082888 607561323 /nfs/dbraw/zinc/56/13/23/607561323.db2.gz DBPWPYHKDWPOMK-SECBINFHSA-N -1 3 385.837 0.676 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826082888 607561324 /nfs/dbraw/zinc/56/13/24/607561324.db2.gz DBPWPYHKDWPOMK-SECBINFHSA-N -1 3 385.837 0.676 20 0 GCADHM COc1ccc(CNC(=O)NCC(=O)NCC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826199336 607563192 /nfs/dbraw/zinc/56/31/92/607563192.db2.gz WHUSQZMDZZWWQM-UHFFFAOYSA-N -1 3 387.322 0.353 20 0 GCADHM COc1ccc(CNC(=O)NCC(=O)NCC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826199336 607563193 /nfs/dbraw/zinc/56/31/93/607563193.db2.gz WHUSQZMDZZWWQM-UHFFFAOYSA-N -1 3 387.322 0.353 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCc3c[nH]nc3C2)cc1-c1nnn[n-]1 ZINC000824324349 607565409 /nfs/dbraw/zinc/56/54/09/607565409.db2.gz LQADOSASLVUCOH-UHFFFAOYSA-N -1 3 396.411 0.900 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCc3c[nH]nc3C2)cc1-c1nn[n-]n1 ZINC000824324349 607565410 /nfs/dbraw/zinc/56/54/10/607565410.db2.gz LQADOSASLVUCOH-UHFFFAOYSA-N -1 3 396.411 0.900 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCN(c3ncccc3-c3nnn[n-]3)CC1)CC2 ZINC000826337341 607567042 /nfs/dbraw/zinc/56/70/42/607567042.db2.gz LEYYLHXPKHNXDW-CYBMUJFWSA-N -1 3 394.443 0.073 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCN(c3ncccc3-c3nn[n-]n3)CC1)CC2 ZINC000826337341 607567043 /nfs/dbraw/zinc/56/70/43/607567043.db2.gz LEYYLHXPKHNXDW-CYBMUJFWSA-N -1 3 394.443 0.073 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)N1CCN(c3ncccc3-c3nnn[n-]3)CC1)CC2 ZINC000826337342 607567465 /nfs/dbraw/zinc/56/74/65/607567465.db2.gz LEYYLHXPKHNXDW-ZDUSSCGKSA-N -1 3 394.443 0.073 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)N1CCN(c3ncccc3-c3nn[n-]n3)CC1)CC2 ZINC000826337342 607567467 /nfs/dbraw/zinc/56/74/67/607567467.db2.gz LEYYLHXPKHNXDW-ZDUSSCGKSA-N -1 3 394.443 0.073 20 0 GCADHM O=C(c1cnn2c1CCCC2)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826474977 607567720 /nfs/dbraw/zinc/56/77/20/607567720.db2.gz NHCZHALAYUSJFN-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM O=C(c1cnn2c1CCCC2)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826474977 607567721 /nfs/dbraw/zinc/56/77/21/607567721.db2.gz NHCZHALAYUSJFN-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)N1CCSCC1 ZINC000824038914 607568289 /nfs/dbraw/zinc/56/82/89/607568289.db2.gz AOQZRTPAGBXAHO-ZDUSSCGKSA-N -1 3 388.501 0.348 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)N1CCSCC1 ZINC000824038914 607568292 /nfs/dbraw/zinc/56/82/92/607568292.db2.gz AOQZRTPAGBXAHO-ZDUSSCGKSA-N -1 3 388.501 0.348 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)CO[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826198923 607568955 /nfs/dbraw/zinc/56/89/55/607568955.db2.gz MSXSPNDQPJYTOE-YPMHNXCESA-N -1 3 376.417 0.869 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)CO[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826198923 607568957 /nfs/dbraw/zinc/56/89/57/607568957.db2.gz MSXSPNDQPJYTOE-YPMHNXCESA-N -1 3 376.417 0.869 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCc3c[nH]nc3C2)cc1 ZINC000826395369 607569540 /nfs/dbraw/zinc/56/95/40/607569540.db2.gz XZYJYYMBTRTFCC-UHFFFAOYSA-N -1 3 376.384 0.556 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCc3c[nH]nc3C2)cc1 ZINC000826395369 607569542 /nfs/dbraw/zinc/56/95/42/607569542.db2.gz XZYJYYMBTRTFCC-UHFFFAOYSA-N -1 3 376.384 0.556 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CCc2nnc(C)n2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826116577 607566032 /nfs/dbraw/zinc/56/60/32/607566032.db2.gz AUXOKYJULHXRBC-UKRRQHHQSA-N -1 3 397.395 0.787 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CCc2nnc(C)n2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116577 607566034 /nfs/dbraw/zinc/56/60/34/607566034.db2.gz AUXOKYJULHXRBC-UKRRQHHQSA-N -1 3 397.395 0.787 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1-c1nnn[n-]1 ZINC000826199129 607571532 /nfs/dbraw/zinc/57/15/32/607571532.db2.gz QRYDHNHZFBQOHM-XHDPSFHLSA-N -1 3 375.433 0.394 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000826199129 607571534 /nfs/dbraw/zinc/57/15/34/607571534.db2.gz QRYDHNHZFBQOHM-XHDPSFHLSA-N -1 3 375.433 0.394 20 0 GCADHM COc1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1-c1nnn[n-]1 ZINC000826198271 607572924 /nfs/dbraw/zinc/57/29/24/607572924.db2.gz SKTGLFIYDPZQHT-CQSZACIVSA-N -1 3 387.444 0.491 20 0 GCADHM COc1ccc(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000826198271 607572926 /nfs/dbraw/zinc/57/29/26/607572926.db2.gz SKTGLFIYDPZQHT-CQSZACIVSA-N -1 3 387.444 0.491 20 0 GCADHM CCN(C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)[C@H](C)CS(C)(=O)=O ZINC000825376724 607575975 /nfs/dbraw/zinc/57/59/75/607575975.db2.gz MNSMVWUKCALAAE-LLVKDONJSA-N -1 3 396.473 0.840 20 0 GCADHM CCN(C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)[C@H](C)CS(C)(=O)=O ZINC000825376724 607575977 /nfs/dbraw/zinc/57/59/77/607575977.db2.gz MNSMVWUKCALAAE-LLVKDONJSA-N -1 3 396.473 0.840 20 0 GCADHM COc1ccc(CNC(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826197976 607576271 /nfs/dbraw/zinc/57/62/71/607576271.db2.gz IQNSXHSSKICTSR-CZFJJDJESA-N -1 3 378.458 0.926 20 0 GCADHM COc1ccc(CNC(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)cc1-c1nn[n-]n1 ZINC000826197976 607576272 /nfs/dbraw/zinc/57/62/72/607576272.db2.gz IQNSXHSSKICTSR-CZFJJDJESA-N -1 3 378.458 0.926 20 0 GCADHM COc1ccc(CNC(=O)N[C@H]2CCc3nc(C)nn3C2)cc1-c1nnn[n-]1 ZINC000826198787 607577023 /nfs/dbraw/zinc/57/70/23/607577023.db2.gz IWHLWOBYJNSOGE-LBPRGKRZSA-N -1 3 383.416 0.589 20 0 GCADHM COc1ccc(CNC(=O)N[C@H]2CCc3nc(C)nn3C2)cc1-c1nn[n-]n1 ZINC000826198787 607577024 /nfs/dbraw/zinc/57/70/24/607577024.db2.gz IWHLWOBYJNSOGE-LBPRGKRZSA-N -1 3 383.416 0.589 20 0 GCADHM COc1ccc(CNC(=O)NCc2ccc(C(N)=O)cc2)cc1-c1nnn[n-]1 ZINC000826200015 607573587 /nfs/dbraw/zinc/57/35/87/607573587.db2.gz VQOUGIOSSRBHNC-UHFFFAOYSA-N -1 3 381.396 0.974 20 0 GCADHM COc1ccc(CNC(=O)NCc2ccc(C(N)=O)cc2)cc1-c1nn[n-]n1 ZINC000826200015 607573589 /nfs/dbraw/zinc/57/35/89/607573589.db2.gz VQOUGIOSSRBHNC-UHFFFAOYSA-N -1 3 381.396 0.974 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)o1 ZINC000826392644 607578565 /nfs/dbraw/zinc/57/85/65/607578565.db2.gz HERMGNODQKEVBB-UHFFFAOYSA-N -1 3 385.359 0.660 20 0 GCADHM CN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825886874 607580252 /nfs/dbraw/zinc/58/02/52/607580252.db2.gz AFXRNMHGHGZIJA-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)COc3ccccc32)cc1-c1nnn[n-]1 ZINC000826196449 607580897 /nfs/dbraw/zinc/58/08/97/607580897.db2.gz CIKVSFHCZCCOBC-UHFFFAOYSA-N -1 3 394.391 0.917 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)COc3ccccc32)cc1-c1nn[n-]n1 ZINC000826196449 607580899 /nfs/dbraw/zinc/58/08/99/607580899.db2.gz CIKVSFHCZCCOBC-UHFFFAOYSA-N -1 3 394.391 0.917 20 0 GCADHM O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826493254 607577638 /nfs/dbraw/zinc/57/76/38/607577638.db2.gz BIUYMHBIQCYXSC-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM COc1ccccc1C(=O)NCC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826217870 607581913 /nfs/dbraw/zinc/58/19/13/607581913.db2.gz GFGHTKDBCHHCLV-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM COc1ccccc1C(=O)NCC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826217870 607581914 /nfs/dbraw/zinc/58/19/14/607581914.db2.gz GFGHTKDBCHHCLV-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM COc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000826196886 607582513 /nfs/dbraw/zinc/58/25/13/607582513.db2.gz RKWYFFVWPVLUED-UHFFFAOYSA-N -1 3 394.457 0.163 20 0 GCADHM COc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000826196886 607582515 /nfs/dbraw/zinc/58/25/15/607582515.db2.gz RKWYFFVWPVLUED-UHFFFAOYSA-N -1 3 394.457 0.163 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826437391 607582816 /nfs/dbraw/zinc/58/28/16/607582816.db2.gz JDRYJWZRBLRCPO-UHFFFAOYSA-N -1 3 390.400 0.714 20 0 GCADHM CC(=O)NCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823995047 607583560 /nfs/dbraw/zinc/58/35/60/607583560.db2.gz YIWDTYPGFLKTOM-UHFFFAOYSA-N -1 3 392.363 0.690 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1-c1nnn[n-]1 ZINC000826301768 607584026 /nfs/dbraw/zinc/58/40/26/607584026.db2.gz PDIOZIKZZPINCA-GFCCVEGCSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1-c1nn[n-]n1 ZINC000826301768 607584027 /nfs/dbraw/zinc/58/40/27/607584027.db2.gz PDIOZIKZZPINCA-GFCCVEGCSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)c1-c1nnn[n-]1 ZINC000826301769 607584155 /nfs/dbraw/zinc/58/41/55/607584155.db2.gz PDIOZIKZZPINCA-LBPRGKRZSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)c1-c1nn[n-]n1 ZINC000826301769 607584156 /nfs/dbraw/zinc/58/41/56/607584156.db2.gz PDIOZIKZZPINCA-LBPRGKRZSA-N -1 3 376.442 0.607 20 0 GCADHM COc1ccc(CNC(=O)Cn2c(=O)cnc3ccccc32)cc1-c1nnn[n-]1 ZINC000826197415 607584331 /nfs/dbraw/zinc/58/43/31/607584331.db2.gz OCPCLDQXLXCSFD-UHFFFAOYSA-N -1 3 391.391 0.902 20 0 GCADHM COc1ccc(CNC(=O)Cn2c(=O)cnc3ccccc32)cc1-c1nn[n-]n1 ZINC000826197415 607584332 /nfs/dbraw/zinc/58/43/32/607584332.db2.gz OCPCLDQXLXCSFD-UHFFFAOYSA-N -1 3 391.391 0.902 20 0 GCADHM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824420498 607588183 /nfs/dbraw/zinc/58/81/83/607588183.db2.gz LOHXTOYGUNWGHD-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824420498 607588185 /nfs/dbraw/zinc/58/81/85/607588185.db2.gz LOHXTOYGUNWGHD-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)NC1CC1 ZINC000826405965 607589794 /nfs/dbraw/zinc/58/97/94/607589794.db2.gz BEVJBXMEZDCFKV-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM O=C(CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)NC1CC1 ZINC000826405965 607589795 /nfs/dbraw/zinc/58/97/95/607589795.db2.gz BEVJBXMEZDCFKV-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM COc1ccc(CNC(=O)CCS(=O)(=O)CC(C)C)cc1-c1nnn[n-]1 ZINC000826196405 607591164 /nfs/dbraw/zinc/59/11/64/607591164.db2.gz AJJJKIZNWIYIPZ-UHFFFAOYSA-N -1 3 381.458 0.952 20 0 GCADHM COc1ccc(CNC(=O)CCS(=O)(=O)CC(C)C)cc1-c1nn[n-]n1 ZINC000826196405 607591165 /nfs/dbraw/zinc/59/11/65/607591165.db2.gz AJJJKIZNWIYIPZ-UHFFFAOYSA-N -1 3 381.458 0.952 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825034788 607591590 /nfs/dbraw/zinc/59/15/90/607591590.db2.gz PWNXTZVZLVSDIA-GFCCVEGCSA-N -1 3 376.442 0.803 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825034788 607591592 /nfs/dbraw/zinc/59/15/92/607591592.db2.gz PWNXTZVZLVSDIA-GFCCVEGCSA-N -1 3 376.442 0.803 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCC(=O)N2CCCCC2)c1-c1nnn[n-]1 ZINC000826303249 607592808 /nfs/dbraw/zinc/59/28/08/607592808.db2.gz HBXVHGARWMUQTD-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCC(=O)N2CCCCC2)c1-c1nn[n-]n1 ZINC000826303249 607592810 /nfs/dbraw/zinc/59/28/10/607592810.db2.gz HBXVHGARWMUQTD-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM COc1ccc(CNC(=O)CCCN2C(=O)CN(C)C2=O)cc1-c1nnn[n-]1 ZINC000826196885 607593413 /nfs/dbraw/zinc/59/34/13/607593413.db2.gz RJKQWNAQQSUMQV-UHFFFAOYSA-N -1 3 387.400 0.166 20 0 GCADHM COc1ccc(CNC(=O)CCCN2C(=O)CN(C)C2=O)cc1-c1nn[n-]n1 ZINC000826196885 607593414 /nfs/dbraw/zinc/59/34/14/607593414.db2.gz RJKQWNAQQSUMQV-UHFFFAOYSA-N -1 3 387.400 0.166 20 0 GCADHM C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824414209 607593461 /nfs/dbraw/zinc/59/34/61/607593461.db2.gz XMSXMGZSPVZGME-VIFPVBQESA-N -1 3 384.849 0.809 20 0 GCADHM C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824414209 607593462 /nfs/dbraw/zinc/59/34/62/607593462.db2.gz XMSXMGZSPVZGME-VIFPVBQESA-N -1 3 384.849 0.809 20 0 GCADHM COc1ccc(COC(=O)c2cc(S(N)(=O)=O)cn2C)cc1-c1nnn[n-]1 ZINC000826205806 607597242 /nfs/dbraw/zinc/59/72/42/607597242.db2.gz OCDGVMFRBFCXHR-UHFFFAOYSA-N -1 3 392.397 0.218 20 0 GCADHM COc1ccc(COC(=O)c2cc(S(N)(=O)=O)cn2C)cc1-c1nn[n-]n1 ZINC000826205806 607597243 /nfs/dbraw/zinc/59/72/43/607597243.db2.gz OCDGVMFRBFCXHR-UHFFFAOYSA-N -1 3 392.397 0.218 20 0 GCADHM COc1ccc(COC(=O)C=Cc2cn(C)c(=O)n(C)c2=O)cc1-c1nnn[n-]1 ZINC000826204827 607598597 /nfs/dbraw/zinc/59/85/97/607598597.db2.gz AQKFNQQQXUFGEO-ALCCZGGFSA-N -1 3 398.379 0.029 20 0 GCADHM COc1ccc(COC(=O)C=Cc2cn(C)c(=O)n(C)c2=O)cc1-c1nn[n-]n1 ZINC000826204827 607598599 /nfs/dbraw/zinc/59/85/99/607598599.db2.gz AQKFNQQQXUFGEO-ALCCZGGFSA-N -1 3 398.379 0.029 20 0 GCADHM COc1ccc(COC(=O)c2csc(S(N)(=O)=O)c2)cc1-c1nnn[n-]1 ZINC000826207072 607599669 /nfs/dbraw/zinc/59/96/69/607599669.db2.gz ZAIJVFAHLWNWQX-UHFFFAOYSA-N -1 3 395.422 0.941 20 0 GCADHM COc1ccc(COC(=O)c2csc(S(N)(=O)=O)c2)cc1-c1nn[n-]n1 ZINC000826207072 607599670 /nfs/dbraw/zinc/59/96/70/607599670.db2.gz ZAIJVFAHLWNWQX-UHFFFAOYSA-N -1 3 395.422 0.941 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)NCc1ccco1 ZINC000824641822 607599959 /nfs/dbraw/zinc/59/99/59/607599959.db2.gz ZOFCVFYCALRCPC-VIFPVBQESA-N -1 3 394.388 0.582 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826052726 607600313 /nfs/dbraw/zinc/60/03/13/607600313.db2.gz TXGBELAYUJKAFS-UHFFFAOYSA-N -1 3 382.421 0.589 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1C ZINC000824640591 607604171 /nfs/dbraw/zinc/60/41/71/607604171.db2.gz LSLXXBNJZKZZLW-VXGBXAGGSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC000824640591 607604173 /nfs/dbraw/zinc/60/41/73/607604173.db2.gz LSLXXBNJZKZZLW-VXGBXAGGSA-N -1 3 378.458 0.935 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)c1-c1nnn[n-]1 ZINC000826302042 607605118 /nfs/dbraw/zinc/60/51/18/607605118.db2.gz YSQRCPZTPACBOU-LBPRGKRZSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)c1-c1nn[n-]n1 ZINC000826302042 607605120 /nfs/dbraw/zinc/60/51/20/607605120.db2.gz YSQRCPZTPACBOU-LBPRGKRZSA-N -1 3 379.442 0.949 20 0 GCADHM COCCN1CCC[C@@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826159886 607606591 /nfs/dbraw/zinc/60/65/91/607606591.db2.gz WQFRIHKBECAECA-LLVKDONJSA-N -1 3 384.437 0.395 20 0 GCADHM CC1(C)COCCN1CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824813407 607606813 /nfs/dbraw/zinc/60/68/13/607606813.db2.gz XVRSKYCYJPDFNK-UHFFFAOYSA-N -1 3 384.437 0.395 20 0 GCADHM COc1ccc(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826195841 607610161 /nfs/dbraw/zinc/61/01/61/607610161.db2.gz HOSOXIKIJUEKNI-CYBMUJFWSA-N -1 3 396.473 0.455 20 0 GCADHM COc1ccc(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826195841 607610162 /nfs/dbraw/zinc/61/01/62/607610162.db2.gz HOSOXIKIJUEKNI-CYBMUJFWSA-N -1 3 396.473 0.455 20 0 GCADHM COc1ccc(CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826195842 607610191 /nfs/dbraw/zinc/61/01/91/607610191.db2.gz HOSOXIKIJUEKNI-ZDUSSCGKSA-N -1 3 396.473 0.455 20 0 GCADHM COc1ccc(CNC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826195842 607610192 /nfs/dbraw/zinc/61/01/92/607610192.db2.gz HOSOXIKIJUEKNI-ZDUSSCGKSA-N -1 3 396.473 0.455 20 0 GCADHM COCCN1CCC[C@@H](NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC000826159891 607610545 /nfs/dbraw/zinc/61/05/45/607610545.db2.gz WTHAIMYBHPAUGM-CYBMUJFWSA-N -1 3 380.474 0.564 20 0 GCADHM COCCN1CCC[C@@H](NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC000826159891 607610546 /nfs/dbraw/zinc/61/05/46/607610546.db2.gz WTHAIMYBHPAUGM-CYBMUJFWSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826302121 607610728 /nfs/dbraw/zinc/61/07/28/607610728.db2.gz AQAAHOOYFROFKC-OLZOCXBDSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826302121 607610730 /nfs/dbraw/zinc/61/07/30/607610730.db2.gz AQAAHOOYFROFKC-OLZOCXBDSA-N -1 3 380.474 0.563 20 0 GCADHM COc1ccc(COC(=O)Cn2cnc3c2ncnc3N)cc1-c1nnn[n-]1 ZINC000826205586 607612074 /nfs/dbraw/zinc/61/20/74/607612074.db2.gz BOUYWHDFZVENKX-UHFFFAOYSA-N -1 3 381.356 0.341 20 0 GCADHM COc1ccc(COC(=O)Cn2cnc3c2ncnc3N)cc1-c1nn[n-]n1 ZINC000826205586 607612075 /nfs/dbraw/zinc/61/20/75/607612075.db2.gz BOUYWHDFZVENKX-UHFFFAOYSA-N -1 3 381.356 0.341 20 0 GCADHM CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826038024 607613704 /nfs/dbraw/zinc/61/37/04/607613704.db2.gz GJWHLUGBVUJRAK-NSHDSACASA-N -1 3 385.881 0.044 20 0 GCADHM CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000826038024 607613705 /nfs/dbraw/zinc/61/37/05/607613705.db2.gz GJWHLUGBVUJRAK-NSHDSACASA-N -1 3 385.881 0.044 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000826495420 607614118 /nfs/dbraw/zinc/61/41/18/607614118.db2.gz OPOFTVAMRCONDC-GFCCVEGCSA-N -1 3 393.404 0.292 20 0 GCADHM CC(C)N1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1=O ZINC000824295818 607616165 /nfs/dbraw/zinc/61/61/65/607616165.db2.gz AKKNUEVCZPSDRZ-LLVKDONJSA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1=O ZINC000824295818 607616167 /nfs/dbraw/zinc/61/61/67/607616167.db2.gz AKKNUEVCZPSDRZ-LLVKDONJSA-N -1 3 384.849 0.808 20 0 GCADHM O=S(=O)(NCCOC[C@H]1CCCO1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826491507 607617784 /nfs/dbraw/zinc/61/77/84/607617784.db2.gz MLKBTFAAUTXRKN-LLVKDONJSA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(NCCOC[C@H]1CCCO1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826491507 607617785 /nfs/dbraw/zinc/61/77/85/607617785.db2.gz MLKBTFAAUTXRKN-LLVKDONJSA-N -1 3 387.849 0.994 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCOc1ncccc1F ZINC000826174732 607618538 /nfs/dbraw/zinc/61/85/38/607618538.db2.gz HMAODIHHZBSSBX-UHFFFAOYSA-N -1 3 388.359 0.983 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCOc1ncccc1F ZINC000826174732 607618540 /nfs/dbraw/zinc/61/85/40/607618540.db2.gz HMAODIHHZBSSBX-UHFFFAOYSA-N -1 3 388.359 0.983 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826391881 607619351 /nfs/dbraw/zinc/61/93/51/607619351.db2.gz FNJRPONWCQCFHC-UHFFFAOYSA-N -1 3 384.303 0.175 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826391881 607619352 /nfs/dbraw/zinc/61/93/52/607619352.db2.gz FNJRPONWCQCFHC-UHFFFAOYSA-N -1 3 384.303 0.175 20 0 GCADHM CS(=O)(=O)CCSCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826222611 607816710 /nfs/dbraw/zinc/81/67/10/607816710.db2.gz DTMMOKZXGNXRCX-UHFFFAOYSA-N -1 3 376.485 0.418 20 0 GCADHM CS(=O)(=O)CCSCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826222611 607816711 /nfs/dbraw/zinc/81/67/11/607816711.db2.gz DTMMOKZXGNXRCX-UHFFFAOYSA-N -1 3 376.485 0.418 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826111395 607619859 /nfs/dbraw/zinc/61/98/59/607619859.db2.gz DTYZNODDYRZBDV-ZDUSSCGKSA-N -1 3 378.364 0.784 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826111395 607619861 /nfs/dbraw/zinc/61/98/61/607619861.db2.gz DTYZNODDYRZBDV-ZDUSSCGKSA-N -1 3 378.364 0.784 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1-c1nnn[n-]1 ZINC000826301757 607620376 /nfs/dbraw/zinc/62/03/76/607620376.db2.gz OYASHVDJXMPEOY-WDEREUQCSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826301757 607620378 /nfs/dbraw/zinc/62/03/78/607620378.db2.gz OYASHVDJXMPEOY-WDEREUQCSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826315586 607621946 /nfs/dbraw/zinc/62/19/46/607621946.db2.gz NGCBYFUPIMGOHA-UHFFFAOYSA-N -1 3 390.425 0.867 20 0 GCADHM Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826315586 607621947 /nfs/dbraw/zinc/62/19/47/607621947.db2.gz NGCBYFUPIMGOHA-UHFFFAOYSA-N -1 3 390.425 0.867 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1cccc(F)c1)c1ccccc1-c1nnn[n-]1 ZINC000826489450 607625432 /nfs/dbraw/zinc/62/54/32/607625432.db2.gz PVTHSTSMBCCNJE-LBPRGKRZSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1cccc(F)c1)c1ccccc1-c1nn[n-]n1 ZINC000826489450 607625433 /nfs/dbraw/zinc/62/54/33/607625433.db2.gz PVTHSTSMBCCNJE-LBPRGKRZSA-N -1 3 393.400 0.724 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](O)COc1ccccc1 ZINC000826255913 607626585 /nfs/dbraw/zinc/62/65/85/607626585.db2.gz OKVBZQIRGLKBIZ-AWEZNQCLSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](O)COc1ccccc1 ZINC000826255913 607626586 /nfs/dbraw/zinc/62/65/86/607626586.db2.gz OKVBZQIRGLKBIZ-AWEZNQCLSA-N -1 3 389.437 0.893 20 0 GCADHM O=S(=O)(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823572118 607627752 /nfs/dbraw/zinc/62/77/52/607627752.db2.gz BSNMHVAEOKFLNO-CABCVRRESA-N -1 3 375.385 0.942 20 0 GCADHM O=S(=O)(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823572118 607627754 /nfs/dbraw/zinc/62/77/54/607627754.db2.gz BSNMHVAEOKFLNO-CABCVRRESA-N -1 3 375.385 0.942 20 0 GCADHM O=S(=O)(N[C@@H]1CCCc2c1cnn2CCO)c1ccccc1-c1nnn[n-]1 ZINC000826488250 607628373 /nfs/dbraw/zinc/62/83/73/607628373.db2.gz LOLGPIUWKOTOKP-CYBMUJFWSA-N -1 3 389.441 0.411 20 0 GCADHM O=S(=O)(N[C@@H]1CCCc2c1cnn2CCO)c1ccccc1-c1nn[n-]n1 ZINC000826488250 607628375 /nfs/dbraw/zinc/62/83/75/607628375.db2.gz LOLGPIUWKOTOKP-CYBMUJFWSA-N -1 3 389.441 0.411 20 0 GCADHM O=S(=O)(N[C@H]1CCCc2c1cnn2CCO)c1cccc(-c2nnn[n-]2)c1 ZINC000826488300 607628526 /nfs/dbraw/zinc/62/85/26/607628526.db2.gz MODDAVYLJWYFOK-AWEZNQCLSA-N -1 3 389.441 0.411 20 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O=S(=O)(c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1C[C@H](O)C[C@H](O)C1 ZINC000826494182 607660315 /nfs/dbraw/zinc/66/03/15/607660315.db2.gz RIEPNYLMOWSDNM-OCAPTIKFSA-N -1 3 393.347 0.002 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000826245166 607661936 /nfs/dbraw/zinc/66/19/36/607661936.db2.gz POLGEQZZMLRNQB-ZDUSSCGKSA-N -1 3 378.458 0.719 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000826245166 607661938 /nfs/dbraw/zinc/66/19/38/607661938.db2.gz POLGEQZZMLRNQB-ZDUSSCGKSA-N -1 3 378.458 0.719 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826390042 607663295 /nfs/dbraw/zinc/66/32/95/607663295.db2.gz OMXJZWZUGHTPNL-MWLCHTKSSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826390042 607663297 /nfs/dbraw/zinc/66/32/97/607663297.db2.gz OMXJZWZUGHTPNL-MWLCHTKSSA-N -1 3 384.849 0.843 20 0 GCADHM O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826487987 607665936 /nfs/dbraw/zinc/66/59/36/607665936.db2.gz FYYPIPLGUFLANJ-JTQLQIEISA-N -1 3 380.821 0.925 20 0 GCADHM O=S(=O)(N[C@H]1CCCn2ncnc21)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826487987 607665937 /nfs/dbraw/zinc/66/59/37/607665937.db2.gz FYYPIPLGUFLANJ-JTQLQIEISA-N -1 3 380.821 0.925 20 0 GCADHM O=c1[nH]c2ccccc2n1CCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826501473 607666849 /nfs/dbraw/zinc/66/68/49/607666849.db2.gz RUMVKHSEBDERAO-UHFFFAOYSA-N -1 3 385.409 0.901 20 0 GCADHM O=c1[nH]c2ccccc2n1CCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826501473 607666851 /nfs/dbraw/zinc/66/68/51/607666851.db2.gz RUMVKHSEBDERAO-UHFFFAOYSA-N -1 3 385.409 0.901 20 0 GCADHM Nc1c(-n2cccn2)ncnc1N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826395770 607667238 /nfs/dbraw/zinc/66/72/38/607667238.db2.gz RZAAECCPEYOQLC-UHFFFAOYSA-N -1 3 390.415 0.146 20 0 GCADHM Nc1c(-n2cccn2)ncnc1N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826395770 607667240 /nfs/dbraw/zinc/66/72/40/607667240.db2.gz RZAAECCPEYOQLC-UHFFFAOYSA-N -1 3 390.415 0.146 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000826304519 607671242 /nfs/dbraw/zinc/67/12/42/607671242.db2.gz ODTHNJYWQBTZRH-SFHVURJKSA-N -1 3 378.396 0.854 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000826304519 607671244 /nfs/dbraw/zinc/67/12/44/607671244.db2.gz ODTHNJYWQBTZRH-SFHVURJKSA-N -1 3 378.396 0.854 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826389996 607671542 /nfs/dbraw/zinc/67/15/42/607671542.db2.gz NKNUCRQVCMGKKC-JQWIXIFHSA-N -1 3 382.421 0.718 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824448982 607671925 /nfs/dbraw/zinc/67/19/25/607671925.db2.gz LSAKSIHVRNQZKA-SNVBAGLBSA-N -1 3 385.471 0.453 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824448982 607671927 /nfs/dbraw/zinc/67/19/27/607671927.db2.gz LSAKSIHVRNQZKA-SNVBAGLBSA-N -1 3 385.471 0.453 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1nnc2n1CCCC2 ZINC000824640738 607673735 /nfs/dbraw/zinc/67/37/35/607673735.db2.gz NUIRVTOYWUTNMH-SECBINFHSA-N -1 3 392.420 0.973 20 0 GCADHM COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826103676 607673984 /nfs/dbraw/zinc/67/39/84/607673984.db2.gz KKQHSJIDWOAZLB-SSDOTTSWSA-N -1 3 393.347 0.973 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1-c1nnn[n-]1 ZINC000826488615 607674025 /nfs/dbraw/zinc/67/40/25/607674025.db2.gz UUJCFCGHKNNAJL-LSDHHAIUSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1-c1nn[n-]n1 ZINC000826488615 607674027 /nfs/dbraw/zinc/67/40/27/607674027.db2.gz UUJCFCGHKNNAJL-LSDHHAIUSA-N -1 3 392.485 0.788 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)[C@@H]1CN(C)CCO1 ZINC000824640339 607676541 /nfs/dbraw/zinc/67/65/41/607676541.db2.gz GNCHITZXJWURSY-SKDRFNHKSA-N -1 3 386.865 0.518 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)[C@@H]1CN(C)CCO1 ZINC000824640339 607676543 /nfs/dbraw/zinc/67/65/43/607676543.db2.gz GNCHITZXJWURSY-SKDRFNHKSA-N -1 3 386.865 0.518 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824762827 607687280 /nfs/dbraw/zinc/68/72/80/607687280.db2.gz IVRKKUPJOPNLNR-SECBINFHSA-N -1 3 375.414 0.675 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824762827 607687282 /nfs/dbraw/zinc/68/72/82/607687282.db2.gz IVRKKUPJOPNLNR-SECBINFHSA-N -1 3 375.414 0.675 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cnn(CCOC)c1 ZINC000825616134 607682710 /nfs/dbraw/zinc/68/27/10/607682710.db2.gz XRCHRVOSYDRONV-UHFFFAOYSA-N -1 3 394.413 0.876 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cnn(CCOC)c1 ZINC000825616134 607682711 /nfs/dbraw/zinc/68/27/11/607682711.db2.gz XRCHRVOSYDRONV-UHFFFAOYSA-N -1 3 394.413 0.876 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C[C@@H](C)O1 ZINC000824993665 607690642 /nfs/dbraw/zinc/69/06/42/607690642.db2.gz RFZXJJZOMGFJSZ-VXGBXAGGSA-N -1 3 378.458 0.799 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C[C@@H](C)O1 ZINC000824993665 607690644 /nfs/dbraw/zinc/69/06/44/607690644.db2.gz RFZXJJZOMGFJSZ-VXGBXAGGSA-N -1 3 378.458 0.799 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C[C@H](C)O1 ZINC000824993662 607690691 /nfs/dbraw/zinc/69/06/91/607690691.db2.gz RFZXJJZOMGFJSZ-TXEJJXNPSA-N -1 3 378.458 0.799 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C[C@H](C)O1 ZINC000824993662 607690693 /nfs/dbraw/zinc/69/06/93/607690693.db2.gz RFZXJJZOMGFJSZ-TXEJJXNPSA-N -1 3 378.458 0.799 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC000830935355 604459975 /nfs/dbraw/zinc/45/99/75/604459975.db2.gz WWEISIMILLNOIM-QGZVFWFLSA-N -1 3 388.468 0.875 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC000830935354 604460313 /nfs/dbraw/zinc/46/03/13/604460313.db2.gz WWEISIMILLNOIM-KRWDZBQOSA-N -1 3 388.468 0.875 20 0 GCADHM CCc1c(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(N)=O ZINC000825688432 607695514 /nfs/dbraw/zinc/69/55/14/607695514.db2.gz ZPJASHBPHWOAJS-UHFFFAOYSA-N -1 3 383.412 0.973 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC000830934255 604503212 /nfs/dbraw/zinc/50/32/12/604503212.db2.gz CCZUOJYNVMZFFX-MRXNPFEDSA-N -1 3 399.451 0.772 20 0 GCADHM O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826439049 607699876 /nfs/dbraw/zinc/69/98/76/607699876.db2.gz CKLAVYMGNMCNIZ-UHFFFAOYSA-N -1 3 375.414 0.044 20 0 GCADHM O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826439049 607699878 /nfs/dbraw/zinc/69/98/78/607699878.db2.gz CKLAVYMGNMCNIZ-UHFFFAOYSA-N -1 3 375.414 0.044 20 0 GCADHM CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])c2)CC1 ZINC000833518325 604511552 /nfs/dbraw/zinc/51/15/52/604511552.db2.gz XPJCULZUMWTUNC-AWEZNQCLSA-N -1 3 376.457 0.992 20 0 GCADHM CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])c2)CC1 ZINC000833518326 604511680 /nfs/dbraw/zinc/51/16/80/604511680.db2.gz XPJCULZUMWTUNC-CQSZACIVSA-N -1 3 376.457 0.992 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000826246978 607696553 /nfs/dbraw/zinc/69/65/53/607696553.db2.gz QIBZQKNGURQKMC-CQSZACIVSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000826246978 607696554 /nfs/dbraw/zinc/69/65/54/607696554.db2.gz QIBZQKNGURQKMC-CQSZACIVSA-N -1 3 380.412 0.834 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000830935282 604554020 /nfs/dbraw/zinc/55/40/20/604554020.db2.gz UWNUSNXQIIMLNP-GFCCVEGCSA-N -1 3 394.453 0.150 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000826246617 607699050 /nfs/dbraw/zinc/69/90/50/607699050.db2.gz HQDZREXSJPAFNZ-XHDPSFHLSA-N -1 3 380.412 0.832 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000826246617 607699051 /nfs/dbraw/zinc/69/90/51/607699051.db2.gz HQDZREXSJPAFNZ-XHDPSFHLSA-N -1 3 380.412 0.832 20 0 GCADHM CCN1CCN(Cc2ccc(CNC(=O)NC3CN(C(=O)[O-])C3)cc2)CC1 ZINC000827223058 604571222 /nfs/dbraw/zinc/57/12/22/604571222.db2.gz NYGBPAKYIQQADU-UHFFFAOYSA-N -1 3 375.473 0.986 20 0 GCADHM O=C([O-])N1CC(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000833138370 604572110 /nfs/dbraw/zinc/57/21/10/604572110.db2.gz UBLBBKCGRUZICJ-UHFFFAOYSA-N -1 3 375.473 0.856 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000826250667 607699407 /nfs/dbraw/zinc/69/94/07/607699407.db2.gz LUQKBGXGSWVQIB-LBPRGKRZSA-N -1 3 387.425 0.984 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000826250667 607699409 /nfs/dbraw/zinc/69/94/09/607699409.db2.gz LUQKBGXGSWVQIB-LBPRGKRZSA-N -1 3 387.425 0.984 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)C[C@@H]2C)CC1 ZINC000823981008 607701439 /nfs/dbraw/zinc/70/14/39/607701439.db2.gz JBTZAEFRYRVGMI-KBXCAEBGSA-N -1 3 397.483 0.800 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)C[C@@H]2C)CC1 ZINC000823981008 607701440 /nfs/dbraw/zinc/70/14/40/607701440.db2.gz JBTZAEFRYRVGMI-KBXCAEBGSA-N -1 3 397.483 0.800 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000826244387 607701732 /nfs/dbraw/zinc/70/17/32/607701732.db2.gz QBROXUPYMSMHLK-CQSZACIVSA-N -1 3 392.485 0.366 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000826244387 607701734 /nfs/dbraw/zinc/70/17/34/607701734.db2.gz QBROXUPYMSMHLK-CQSZACIVSA-N -1 3 392.485 0.366 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000826247639 607702486 /nfs/dbraw/zinc/70/24/86/607702486.db2.gz JVTFDTLFQCKTHB-RISCZKNCSA-N -1 3 378.458 0.575 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000826247639 607702488 /nfs/dbraw/zinc/70/24/88/607702488.db2.gz JVTFDTLFQCKTHB-RISCZKNCSA-N -1 3 378.458 0.575 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000826248170 607703383 /nfs/dbraw/zinc/70/33/83/607703383.db2.gz YOXSZZNIIQPKMX-OCCSQVGLSA-N -1 3 378.458 0.623 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000826248170 607703384 /nfs/dbraw/zinc/70/33/84/607703384.db2.gz YOXSZZNIIQPKMX-OCCSQVGLSA-N -1 3 378.458 0.623 20 0 GCADHM COc1ccc(CN(C)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000826192250 607707350 /nfs/dbraw/zinc/70/73/50/607707350.db2.gz GHZHNHHBGDPILY-UHFFFAOYSA-N -1 3 383.416 0.919 20 0 GCADHM COc1ccc(CN(C)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000826192250 607707351 /nfs/dbraw/zinc/70/73/51/607707351.db2.gz GHZHNHHBGDPILY-UHFFFAOYSA-N -1 3 383.416 0.919 20 0 GCADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CCO[C@H](CN(C)C)C1 ZINC000831369914 604759760 /nfs/dbraw/zinc/75/97/60/604759760.db2.gz LCCHSBUKGXGHQX-GXTWGEPZSA-N -1 3 393.440 0.761 20 0 GCADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2CCO[C@H](CN(C)C)C2)c1 ZINC000831363125 604759780 /nfs/dbraw/zinc/75/97/80/604759780.db2.gz ATMOMOYLKQNVNS-TZMCWYRMSA-N -1 3 393.440 0.761 20 0 GCADHM CC(C)Cn1c(N)c(C(=O)CN[C@]2(C)CCCC[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000833494358 604820203 /nfs/dbraw/zinc/82/02/03/604820203.db2.gz PMFFPNFGULZRCA-ADLMAVQZSA-N -1 3 380.445 0.993 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC000825499136 607720641 /nfs/dbraw/zinc/72/06/41/607720641.db2.gz HGKFYJMBRBUSJC-LLVKDONJSA-N -1 3 389.416 0.069 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC000825499136 607720642 /nfs/dbraw/zinc/72/06/42/607720642.db2.gz HGKFYJMBRBUSJC-LLVKDONJSA-N -1 3 389.416 0.069 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1)N1CCCCCC1 ZINC000826460860 607721012 /nfs/dbraw/zinc/72/10/12/607721012.db2.gz VCPKNIBNQRFVIF-UHFFFAOYSA-N -1 3 384.404 0.441 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1)N1CCCCCC1 ZINC000826460860 607721013 /nfs/dbraw/zinc/72/10/13/607721013.db2.gz VCPKNIBNQRFVIF-UHFFFAOYSA-N -1 3 384.404 0.441 20 0 GCADHM CC(C)N1CCN(C2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2)CC1 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LSMQOXGXSPYEJV-NSHDSACASA-N -1 3 392.420 0.698 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826494687 607744518 /nfs/dbraw/zinc/74/45/18/607744518.db2.gz LSMQOXGXSPYEJV-NSHDSACASA-N -1 3 392.420 0.698 20 0 GCADHM O=S(=O)(NCCN1CCC1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826491114 607745504 /nfs/dbraw/zinc/74/55/04/607745504.db2.gz UEGQCZRTTSHQGH-UHFFFAOYSA-N -1 3 387.263 0.613 20 0 GCADHM O=S(=O)(NCCN1CCC1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826491114 607745505 /nfs/dbraw/zinc/74/55/05/607745505.db2.gz UEGQCZRTTSHQGH-UHFFFAOYSA-N -1 3 387.263 0.613 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000823973572 607746272 /nfs/dbraw/zinc/74/62/72/607746272.db2.gz KVROXOPUDVISDD-LKFCYVNXSA-N -1 3 382.421 0.541 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000823973572 607746273 /nfs/dbraw/zinc/74/62/73/607746273.db2.gz KVROXOPUDVISDD-LKFCYVNXSA-N -1 3 382.421 0.541 20 0 GCADHM 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391.388 0.972 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1-c1nn[n-]n1 ZINC000825538370 607766206 /nfs/dbraw/zinc/76/62/06/607766206.db2.gz GBKAEEFADMTBCC-LLVKDONJSA-N -1 3 391.388 0.972 20 0 GCADHM CN(CC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)S(C)(=O)=O ZINC000825891990 607769792 /nfs/dbraw/zinc/76/97/92/607769792.db2.gz AKOMJADTJNFYAM-UHFFFAOYSA-N -1 3 393.454 0.820 20 0 GCADHM CN(CC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)S(C)(=O)=O ZINC000825891990 607769793 /nfs/dbraw/zinc/76/97/93/607769793.db2.gz AKOMJADTJNFYAM-UHFFFAOYSA-N -1 3 393.454 0.820 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCOC)cc1-c1nnn[n-]1 ZINC000825523206 607772256 /nfs/dbraw/zinc/77/22/56/607772256.db2.gz OGULTBKOOAFCPD-UHFFFAOYSA-N -1 3 391.388 0.526 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCOC)cc1-c1nn[n-]n1 ZINC000825523206 607772257 /nfs/dbraw/zinc/77/22/57/607772257.db2.gz OGULTBKOOAFCPD-UHFFFAOYSA-N -1 3 391.388 0.526 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470580 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20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-])N(C)C ZINC000833517365 605890791 /nfs/dbraw/zinc/89/07/91/605890791.db2.gz OSOUNPZQIKBEHY-LBPRGKRZSA-N -1 3 378.429 0.226 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-])CN1CCN(C)CC1 ZINC000833516898 605918947 /nfs/dbraw/zinc/91/89/47/605918947.db2.gz ASMCCSDMENIUJW-LLVKDONJSA-N -1 3 398.410 0.601 20 0 GCADHM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC000820649327 606026973 /nfs/dbraw/zinc/02/69/73/606026973.db2.gz KRKBYZIJWGKTTK-GASCZTMLSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC000820649327 606026979 /nfs/dbraw/zinc/02/69/79/606026979.db2.gz KRKBYZIJWGKTTK-GASCZTMLSA-N -1 3 384.488 0.888 20 0 GCADHM O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000822918009 606028119 /nfs/dbraw/zinc/02/81/19/606028119.db2.gz XLCWIIDCOJCNEN-KRWDZBQOSA-N -1 3 393.407 0.750 20 0 GCADHM O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 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ZINC000821509958 606085967 /nfs/dbraw/zinc/08/59/67/606085967.db2.gz QOIJZRZRWXEVHX-MRXNPFEDSA-N -1 3 397.443 0.156 20 0 GCADHM CCc1nc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000821509958 606085975 /nfs/dbraw/zinc/08/59/75/606085975.db2.gz QOIJZRZRWXEVHX-MRXNPFEDSA-N -1 3 397.443 0.156 20 0 GCADHM O=C(CN1CCn2c(CO)nnc2C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823001241 606089926 /nfs/dbraw/zinc/08/99/26/606089926.db2.gz ITUKVGARPRWMGH-UHFFFAOYSA-N -1 3 389.807 0.058 20 0 GCADHM O=C(CN1CCn2c(CO)nnc2C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823001241 606089931 /nfs/dbraw/zinc/08/99/31/606089931.db2.gz ITUKVGARPRWMGH-UHFFFAOYSA-N -1 3 389.807 0.058 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000819922022 606109415 /nfs/dbraw/zinc/10/94/15/606109415.db2.gz DUVABKVGSPKLAF-CQSZACIVSA-N -1 3 388.428 0.848 20 0 GCADHM Cc1sc(NC(=O)CN2CCNC(=O)[C@H]2C(C)C)c(-c2nnn[n-]2)c1C ZINC000822559234 606110609 /nfs/dbraw/zinc/11/06/09/606110609.db2.gz ZARJUZPNDWTIPQ-CYBMUJFWSA-N 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C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000819877365 606115330 /nfs/dbraw/zinc/11/53/30/606115330.db2.gz UQMYAHYRNCRIKK-LBPRGKRZSA-N -1 3 395.427 0.276 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000819877365 606115331 /nfs/dbraw/zinc/11/53/31/606115331.db2.gz UQMYAHYRNCRIKK-LBPRGKRZSA-N -1 3 395.427 0.276 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(c3cnn(C)c3)C(=O)C2)c(-c2nnn[n-]2)c1C ZINC000822547600 606115771 /nfs/dbraw/zinc/11/57/71/606115771.db2.gz ABCQREVHXXRZTN-UHFFFAOYSA-N -1 3 399.415 0.097 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000820541489 606117188 /nfs/dbraw/zinc/11/71/88/606117188.db2.gz GOICXCLWPVABRD-LBPRGKRZSA-N -1 3 396.411 0.243 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000820541489 606117190 /nfs/dbraw/zinc/11/71/90/606117190.db2.gz GOICXCLWPVABRD-LBPRGKRZSA-N -1 3 396.411 0.243 20 0 GCADHM CC(C)n1nccc1NC(=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820220727 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O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN1c1ncccn1 ZINC000823210774 606152812 /nfs/dbraw/zinc/15/28/12/606152812.db2.gz DYFJUVQJRRIPNA-HNNXBMFYSA-N -1 3 380.412 0.821 20 0 GCADHM O=C1[C@H](N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCN1C1CCOCC1 ZINC000823504945 606158978 /nfs/dbraw/zinc/15/89/78/606158978.db2.gz VVPVIQJCGZZTGU-MRXNPFEDSA-N -1 3 398.471 0.164 20 0 GCADHM O=C1[C@H](N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCN1C1CCOCC1 ZINC000823504945 606158980 /nfs/dbraw/zinc/15/89/80/606158980.db2.gz VVPVIQJCGZZTGU-MRXNPFEDSA-N -1 3 398.471 0.164 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821691058 606162177 /nfs/dbraw/zinc/16/21/77/606162177.db2.gz HCOHHYYEBJDRHS-UHFFFAOYSA-N -1 3 399.415 0.148 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821691058 606162178 /nfs/dbraw/zinc/16/21/78/606162178.db2.gz HCOHHYYEBJDRHS-UHFFFAOYSA-N -1 3 399.415 0.148 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2cccc(CN3CCOCC3)c2)n1 ZINC000822619664 606167560 /nfs/dbraw/zinc/16/75/60/606167560.db2.gz DMWSDNRTOJRZKI-UHFFFAOYSA-N -1 3 397.443 0.754 20 0 GCADHM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2cccc(CN3CCOCC3)c2)n1 ZINC000822619664 606167562 /nfs/dbraw/zinc/16/75/62/606167562.db2.gz DMWSDNRTOJRZKI-UHFFFAOYSA-N -1 3 397.443 0.754 20 0 GCADHM Cn1ncc2cc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cnc21 ZINC000822709573 606167803 /nfs/dbraw/zinc/16/78/03/606167803.db2.gz NUYIJNMJFYCNRD-CYBMUJFWSA-N -1 3 378.352 0.532 20 0 GCADHM Cn1ncc2cc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cnc21 ZINC000822709573 606167804 /nfs/dbraw/zinc/16/78/04/606167804.db2.gz NUYIJNMJFYCNRD-CYBMUJFWSA-N -1 3 378.352 0.532 20 0 GCADHM CO[C@@H](C)c1noc(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821675864 606167889 /nfs/dbraw/zinc/16/78/89/606167889.db2.gz VJAKIVBDVKWONR-VIFPVBQESA-N -1 3 387.356 0.430 20 0 GCADHM CO[C@@H](C)c1noc(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821675864 606167891 /nfs/dbraw/zinc/16/78/91/606167891.db2.gz VJAKIVBDVKWONR-VIFPVBQESA-N -1 3 387.356 0.430 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)n1 ZINC000822609634 606173591 /nfs/dbraw/zinc/17/35/91/606173591.db2.gz SPSJXOLAUUSMOE-HNNXBMFYSA-N -1 3 397.443 0.483 20 0 GCADHM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000819891847 606178310 /nfs/dbraw/zinc/17/83/10/606178310.db2.gz IHZACXPEYMOEOP-JTQLQIEISA-N -1 3 394.461 0.136 20 0 GCADHM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000819891847 606178312 /nfs/dbraw/zinc/17/83/12/606178312.db2.gz IHZACXPEYMOEOP-JTQLQIEISA-N -1 3 394.461 0.136 20 0 GCADHM CCc1noc(C[S@](=O)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821559019 606179772 /nfs/dbraw/zinc/17/97/72/606179772.db2.gz PKHLNIIWKVKLNR-AREMUKBSSA-N -1 3 375.414 0.377 20 0 GCADHM CCCc1noc(C[S@@](=O)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821143016 606179777 /nfs/dbraw/zinc/17/97/77/606179777.db2.gz OKDUZXCYACQTQR-MHZLTWQESA-N -1 3 389.441 0.767 20 0 GCADHM O=C(C[S@@](=O)Cc1nc(C2CC2)no1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823055380 606181293 /nfs/dbraw/zinc/18/12/93/606181293.db2.gz NPFYBQAREPQXBE-HHHXNRCGSA-N -1 3 387.425 0.692 20 0 GCADHM C[C@H]1CN=C(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)S1 ZINC000820803811 606185642 /nfs/dbraw/zinc/18/56/42/606185642.db2.gz HOWPWUDTJPNLNG-FZMZJTMJSA-N -1 3 386.485 0.502 20 0 GCADHM C[C@H]1CN=C(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)S1 ZINC000820803811 606185644 /nfs/dbraw/zinc/18/56/44/606185644.db2.gz HOWPWUDTJPNLNG-FZMZJTMJSA-N -1 3 386.485 0.502 20 0 GCADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](O)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC000822016061 606186086 /nfs/dbraw/zinc/18/60/86/606186086.db2.gz UKORWSFVPKHZRX-OKILXGFUSA-N -1 3 389.460 0.376 20 0 GCADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN2C[C@@H](O)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000822016061 606186088 /nfs/dbraw/zinc/18/60/88/606186088.db2.gz UKORWSFVPKHZRX-OKILXGFUSA-N -1 3 389.460 0.376 20 0 GCADHM CNC(=O)[C@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821631312 606186123 /nfs/dbraw/zinc/18/61/23/606186123.db2.gz FNKBGIBBDXVGGT-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM CNC(=O)[C@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821631312 606186125 /nfs/dbraw/zinc/18/61/25/606186125.db2.gz FNKBGIBBDXVGGT-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM O=S(=O)(CCN1CCN(CC2CC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562877 606186388 /nfs/dbraw/zinc/18/63/88/606186388.db2.gz WBGJZHXTVHZXPR-UHFFFAOYSA-N -1 3 376.486 0.668 20 0 GCADHM O=S(=O)(CCN1CCN(CC2CC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562877 606186390 /nfs/dbraw/zinc/18/63/90/606186390.db2.gz WBGJZHXTVHZXPR-UHFFFAOYSA-N -1 3 376.486 0.668 20 0 GCADHM COCCN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC000821691196 606188190 /nfs/dbraw/zinc/18/81/90/606188190.db2.gz MMFSRAVEGTVBDF-CQSZACIVSA-N -1 3 394.501 0.293 20 0 GCADHM COCCN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC000821691196 606188191 /nfs/dbraw/zinc/18/81/91/606188191.db2.gz MMFSRAVEGTVBDF-CQSZACIVSA-N -1 3 394.501 0.293 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820642918 606188443 /nfs/dbraw/zinc/18/84/43/606188443.db2.gz MTOMYJVAGSKWQP-VXGBXAGGSA-N -1 3 399.498 0.148 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820642918 606188446 /nfs/dbraw/zinc/18/84/46/606188446.db2.gz MTOMYJVAGSKWQP-VXGBXAGGSA-N -1 3 399.498 0.148 20 0 GCADHM O=S(=O)(CCN1CCN(CC(F)F)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562206 606188798 /nfs/dbraw/zinc/18/87/98/606188798.db2.gz ORHKIFRTLNPYQF-UHFFFAOYSA-N -1 3 386.428 0.523 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820642915 606188751 /nfs/dbraw/zinc/18/87/51/606188751.db2.gz MTOMYJVAGSKWQP-NEPJUHHUSA-N -1 3 399.498 0.148 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820642915 606188753 /nfs/dbraw/zinc/18/87/53/606188753.db2.gz MTOMYJVAGSKWQP-NEPJUHHUSA-N -1 3 399.498 0.148 20 0 GCADHM O=S(=O)(CCN1CCN(CC(F)F)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562206 606188800 /nfs/dbraw/zinc/18/88/00/606188800.db2.gz ORHKIFRTLNPYQF-UHFFFAOYSA-N -1 3 386.428 0.523 20 0 GCADHM CN(CCN1CCCC1=O)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821601702 606189973 /nfs/dbraw/zinc/18/99/73/606189973.db2.gz VQTCIGCLDVGQIA-UHFFFAOYSA-N -1 3 378.458 0.195 20 0 GCADHM CN(CCN1CCCC1=O)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821601702 606189975 /nfs/dbraw/zinc/18/99/75/606189975.db2.gz VQTCIGCLDVGQIA-UHFFFAOYSA-N -1 3 378.458 0.195 20 0 GCADHM CO[C@H](C)c1noc(CN(C)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821676023 606191936 /nfs/dbraw/zinc/19/19/36/606191936.db2.gz ZODGZRWMEKXNEF-LLVKDONJSA-N -1 3 386.416 0.705 20 0 GCADHM CO[C@H](C)c1noc(CN(C)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821676023 606191939 /nfs/dbraw/zinc/19/19/39/606191939.db2.gz ZODGZRWMEKXNEF-LLVKDONJSA-N -1 3 386.416 0.705 20 0 GCADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821655306 606192317 /nfs/dbraw/zinc/19/23/17/606192317.db2.gz IWKPSHRWZOHRQN-MGPQQGTHSA-N -1 3 387.396 0.916 20 0 GCADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821655306 606192318 /nfs/dbraw/zinc/19/23/18/606192318.db2.gz IWKPSHRWZOHRQN-MGPQQGTHSA-N -1 3 387.396 0.916 20 0 GCADHM CNC(=O)N1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821634169 606194067 /nfs/dbraw/zinc/19/40/67/606194067.db2.gz VACBZJBHKCTZEK-UHFFFAOYSA-N -1 3 387.444 0.899 20 0 GCADHM CNC(=O)N1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821634169 606194069 /nfs/dbraw/zinc/19/40/69/606194069.db2.gz VACBZJBHKCTZEK-UHFFFAOYSA-N -1 3 387.444 0.899 20 0 GCADHM O=C(Cn1cc2ccccc2n1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823123032 606197751 /nfs/dbraw/zinc/19/77/51/606197751.db2.gz LIWBQRDRDYJHFP-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM O=C(Cn1cc2ccccc2n1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823123032 606197752 /nfs/dbraw/zinc/19/77/52/606197752.db2.gz LIWBQRDRDYJHFP-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM CNC(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000821633896 606198001 /nfs/dbraw/zinc/19/80/01/606198001.db2.gz IZGKGAPMHYJZRK-UHFFFAOYSA-N -1 3 378.824 0.416 20 0 GCADHM CNC(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000821633896 606198002 /nfs/dbraw/zinc/19/80/02/606198002.db2.gz IZGKGAPMHYJZRK-UHFFFAOYSA-N -1 3 378.824 0.416 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000822650139 606231665 /nfs/dbraw/zinc/23/16/65/606231665.db2.gz PVHDZYUYBKYUOG-KRWDZBQOSA-N -1 3 380.368 0.512 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000822650139 606231666 /nfs/dbraw/zinc/23/16/66/606231666.db2.gz PVHDZYUYBKYUOG-KRWDZBQOSA-N -1 3 380.368 0.512 20 0 GCADHM COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821668984 606232494 /nfs/dbraw/zinc/23/24/94/606232494.db2.gz SYDGWRWSBSRBFH-SNVBAGLBSA-N -1 3 398.379 0.843 20 0 GCADHM COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821668984 606232496 /nfs/dbraw/zinc/23/24/96/606232496.db2.gz SYDGWRWSBSRBFH-SNVBAGLBSA-N -1 3 398.379 0.843 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)Nc1sccc1C(N)=O ZINC000820503294 606234177 /nfs/dbraw/zinc/23/41/77/606234177.db2.gz ZXJJZFDTXBJPSY-ZCFIWIBFSA-N -1 3 375.370 0.539 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)Nc1sccc1C(N)=O ZINC000820503294 606234178 /nfs/dbraw/zinc/23/41/78/606234178.db2.gz ZXJJZFDTXBJPSY-ZCFIWIBFSA-N -1 3 375.370 0.539 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)NC(=O)NCC(F)(F)F ZINC000820500645 606235329 /nfs/dbraw/zinc/23/53/29/606235329.db2.gz FOBHLSPKSIKERL-YFKPBYRVSA-N -1 3 375.267 0.128 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)NC(=O)NCC(F)(F)F ZINC000820500645 606235330 /nfs/dbraw/zinc/23/53/30/606235330.db2.gz FOBHLSPKSIKERL-YFKPBYRVSA-N -1 3 375.267 0.128 20 0 GCADHM CS(=O)(=O)Nc1ccc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821937907 606235672 /nfs/dbraw/zinc/23/56/72/606235672.db2.gz SLYBKYYKEMHVKL-UHFFFAOYSA-N -1 3 390.381 0.606 20 0 GCADHM CS(=O)(=O)Nc1ccc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821937907 606235674 /nfs/dbraw/zinc/23/56/74/606235674.db2.gz SLYBKYYKEMHVKL-UHFFFAOYSA-N -1 3 390.381 0.606 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000820769921 606238600 /nfs/dbraw/zinc/23/86/00/606238600.db2.gz XTPFNLKNOLWTDY-ABAIWWIYSA-N -1 3 396.448 0.347 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000820769921 606238601 /nfs/dbraw/zinc/23/86/01/606238601.db2.gz XTPFNLKNOLWTDY-ABAIWWIYSA-N -1 3 396.448 0.347 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000822222920 606239139 /nfs/dbraw/zinc/23/91/39/606239139.db2.gz YDBSDINULSCRCJ-DZGCQCFKSA-N -1 3 392.485 0.516 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000822222920 606239141 /nfs/dbraw/zinc/23/91/41/606239141.db2.gz YDBSDINULSCRCJ-DZGCQCFKSA-N -1 3 392.485 0.516 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000822222922 606239273 /nfs/dbraw/zinc/23/92/73/606239273.db2.gz YDBSDINULSCRCJ-UKRRQHHQSA-N -1 3 392.485 0.516 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000822222922 606239274 /nfs/dbraw/zinc/23/92/74/606239274.db2.gz YDBSDINULSCRCJ-UKRRQHHQSA-N -1 3 392.485 0.516 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000822143649 606239373 /nfs/dbraw/zinc/23/93/73/606239373.db2.gz DXSVFSHIYFMLJJ-ZFWWWQNUSA-N -1 3 392.485 0.516 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000822143649 606239375 /nfs/dbraw/zinc/23/93/75/606239375.db2.gz DXSVFSHIYFMLJJ-ZFWWWQNUSA-N -1 3 392.485 0.516 20 0 GCADHM CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820016523 606252583 /nfs/dbraw/zinc/25/25/83/606252583.db2.gz NIZZTDJKPPMWSZ-MFKMUULPSA-N -1 3 377.474 0.881 20 0 GCADHM CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820016523 606252585 /nfs/dbraw/zinc/25/25/85/606252585.db2.gz NIZZTDJKPPMWSZ-MFKMUULPSA-N -1 3 377.474 0.881 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822266601 606252799 /nfs/dbraw/zinc/25/27/99/606252799.db2.gz FCNQMLJETPXWRX-UHFFFAOYSA-N -1 3 375.414 0.212 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822266601 606252800 /nfs/dbraw/zinc/25/28/00/606252800.db2.gz FCNQMLJETPXWRX-UHFFFAOYSA-N -1 3 375.414 0.212 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000823005552 606256988 /nfs/dbraw/zinc/25/69/88/606256988.db2.gz WGHONYWCTQYWES-RDJZCZTQSA-N -1 3 378.392 0.371 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000823005552 606256989 /nfs/dbraw/zinc/25/69/89/606256989.db2.gz WGHONYWCTQYWES-RDJZCZTQSA-N -1 3 378.392 0.371 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821588246 606258413 /nfs/dbraw/zinc/25/84/13/606258413.db2.gz ISEXGRAWVGJMKX-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821588246 606258414 /nfs/dbraw/zinc/25/84/14/606258414.db2.gz ISEXGRAWVGJMKX-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CCc1nsc(N2CCCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)n1 ZINC000821558561 606258707 /nfs/dbraw/zinc/25/87/07/606258707.db2.gz BAEZYARXIQZMDM-UHFFFAOYSA-N -1 3 387.473 0.972 20 0 GCADHM CCc1nsc(N2CCCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)n1 ZINC000821558561 606258708 /nfs/dbraw/zinc/25/87/08/606258708.db2.gz BAEZYARXIQZMDM-UHFFFAOYSA-N -1 3 387.473 0.972 20 0 GCADHM Cn1ccnc1[C@](O)(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC000822693550 606260672 /nfs/dbraw/zinc/26/06/72/606260672.db2.gz FOQHFWKHVCJOGQ-CYBMUJFWSA-N -1 3 384.322 0.498 20 0 GCADHM Cn1ccnc1[C@](O)(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC000822693550 606260674 /nfs/dbraw/zinc/26/06/74/606260674.db2.gz FOQHFWKHVCJOGQ-CYBMUJFWSA-N -1 3 384.322 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606369580 /nfs/dbraw/zinc/36/95/80/606369580.db2.gz PCOVMBOEYXRDBJ-WCBMZHEXSA-N -1 3 397.438 0.011 20 0 GCADHM CCOC(=O)NCCC(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821334271 606370260 /nfs/dbraw/zinc/37/02/60/606370260.db2.gz LAPYFGRKWXMKFL-SNVBAGLBSA-N -1 3 394.413 0.713 20 0 GCADHM CCOC(=O)NCCC(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821334271 606370261 /nfs/dbraw/zinc/37/02/61/606370261.db2.gz LAPYFGRKWXMKFL-SNVBAGLBSA-N -1 3 394.413 0.713 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1ccoc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821647219 606371818 /nfs/dbraw/zinc/37/18/18/606371818.db2.gz WBHNQRQYYFIOMD-HNNXBMFYSA-N -1 3 399.363 0.955 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1ccoc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821647219 606371821 /nfs/dbraw/zinc/37/18/21/606371821.db2.gz WBHNQRQYYFIOMD-HNNXBMFYSA-N -1 3 399.363 0.955 20 0 GCADHM CCS(=O)(=O)CC(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821441282 606373266 /nfs/dbraw/zinc/37/32/66/606373266.db2.gz JVIVLWNFWXFCIS-VIFPVBQESA-N -1 3 385.427 0.011 20 0 GCADHM CCS(=O)(=O)CC(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821441282 606373267 /nfs/dbraw/zinc/37/32/67/606373267.db2.gz JVIVLWNFWXFCIS-VIFPVBQESA-N -1 3 385.427 0.011 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821634964 606374805 /nfs/dbraw/zinc/37/48/05/606374805.db2.gz DBMPOVFTMVVBTF-AWEZNQCLSA-N -1 3 396.363 0.692 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821634964 606374807 /nfs/dbraw/zinc/37/48/07/606374807.db2.gz DBMPOVFTMVVBTF-AWEZNQCLSA-N -1 3 396.363 0.692 20 0 GCADHM CN(CC(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)C(=O)C1CC1 ZINC000821593979 606376010 /nfs/dbraw/zinc/37/60/10/606376010.db2.gz SERVTVNFSKWBLS-NSHDSACASA-N -1 3 390.425 0.445 20 0 GCADHM CN(CC(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)C(=O)C1CC1 ZINC000821593979 606376012 /nfs/dbraw/zinc/37/60/12/606376012.db2.gz SERVTVNFSKWBLS-NSHDSACASA-N -1 3 390.425 0.445 20 0 GCADHM CCn1nc(C(=O)O[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000821566745 606376334 /nfs/dbraw/zinc/37/63/34/606376334.db2.gz RRLPJBDSYNDTCV-AWEZNQCLSA-N -1 3 384.352 0.514 20 0 GCADHM CCn1nc(C(=O)O[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000821566745 606376336 /nfs/dbraw/zinc/37/63/36/606376336.db2.gz RRLPJBDSYNDTCV-AWEZNQCLSA-N -1 3 384.352 0.514 20 0 GCADHM COC(=O)NCCCC(=O)O[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821665147 606377267 /nfs/dbraw/zinc/37/72/67/606377267.db2.gz XPYDEEUAHSRDRP-ZDUSSCGKSA-N -1 3 377.357 0.760 20 0 GCADHM COC(=O)NCCCC(=O)O[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821665147 606377270 /nfs/dbraw/zinc/37/72/70/606377270.db2.gz XPYDEEUAHSRDRP-ZDUSSCGKSA-N -1 3 377.357 0.760 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)C(=O)Nc1sccc1C(N)=O ZINC000820508808 606382670 /nfs/dbraw/zinc/38/26/70/606382670.db2.gz YDAJXPWRIYETKB-SSDOTTSWSA-N -1 3 389.397 0.550 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)C(=O)Nc1sccc1C(N)=O ZINC000820508808 606382672 /nfs/dbraw/zinc/38/26/72/606382672.db2.gz YDAJXPWRIYETKB-SSDOTTSWSA-N -1 3 389.397 0.550 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820703963 606385449 /nfs/dbraw/zinc/38/54/49/606385449.db2.gz KRYXPRLCVQXOSS-CMPLNLGQSA-N -1 3 389.416 0.767 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820703963 606385450 /nfs/dbraw/zinc/38/54/50/606385450.db2.gz KRYXPRLCVQXOSS-CMPLNLGQSA-N -1 3 389.416 0.767 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NCCc1c(F)cccc1F ZINC000822659312 606387833 /nfs/dbraw/zinc/38/78/33/606387833.db2.gz JRFAAKNEXKTZLA-UHFFFAOYSA-N -1 3 390.350 0.999 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NCCc1c(F)cccc1F ZINC000822659312 606387835 /nfs/dbraw/zinc/38/78/35/606387835.db2.gz JRFAAKNEXKTZLA-UHFFFAOYSA-N -1 3 390.350 0.999 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000822659920 606389191 /nfs/dbraw/zinc/38/91/91/606389191.db2.gz QTKHVNMHQMINJX-LBPRGKRZSA-N -1 3 398.379 0.318 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000822659920 606389193 /nfs/dbraw/zinc/38/91/93/606389193.db2.gz QTKHVNMHQMINJX-LBPRGKRZSA-N -1 3 398.379 0.318 20 0 GCADHM Cn1cc([C@@H]2CN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674089 606392409 /nfs/dbraw/zinc/39/24/09/606392409.db2.gz LCOCAISZNVUMHL-AWEZNQCLSA-N -1 3 398.431 0.190 20 0 GCADHM Cn1cc([C@@H]2CN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674089 606392411 /nfs/dbraw/zinc/39/24/11/606392411.db2.gz LCOCAISZNVUMHL-AWEZNQCLSA-N -1 3 398.431 0.190 20 0 GCADHM CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820012349 606395587 /nfs/dbraw/zinc/39/55/87/606395587.db2.gz ZWJRSBWIMMCWBZ-UHFFFAOYSA-N -1 3 389.391 0.271 20 0 GCADHM CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820012349 606395590 /nfs/dbraw/zinc/39/55/90/606395590.db2.gz ZWJRSBWIMMCWBZ-UHFFFAOYSA-N -1 3 389.391 0.271 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000823336868 606397268 /nfs/dbraw/zinc/39/72/68/606397268.db2.gz BEJICOCVGKPDOK-UHFFFAOYSA-N -1 3 396.386 0.688 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000823336868 606397269 /nfs/dbraw/zinc/39/72/69/606397269.db2.gz BEJICOCVGKPDOK-UHFFFAOYSA-N -1 3 396.386 0.688 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820876262 606397698 /nfs/dbraw/zinc/39/76/98/606397698.db2.gz PDFBWVFRDFXSOK-RKDXNWHRSA-N -1 3 377.380 0.364 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820876262 606397700 /nfs/dbraw/zinc/39/77/00/606397700.db2.gz PDFBWVFRDFXSOK-RKDXNWHRSA-N -1 3 377.380 0.364 20 0 GCADHM CC1(C)CN(CCNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000820601056 606399635 /nfs/dbraw/zinc/39/96/35/606399635.db2.gz ASNVCMXPTHQHJU-UHFFFAOYSA-N -1 3 391.407 0.171 20 0 GCADHM CC1(C)CN(CCNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000820601056 606399636 /nfs/dbraw/zinc/39/96/36/606399636.db2.gz ASNVCMXPTHQHJU-UHFFFAOYSA-N -1 3 391.407 0.171 20 0 GCADHM O=C(NCc1cn2c(n1)CCCC2)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823266352 606400030 /nfs/dbraw/zinc/40/00/30/606400030.db2.gz UOCPVJAOYHHATN-UHFFFAOYSA-N -1 3 384.375 0.794 20 0 GCADHM O=C(NCc1cn2c(n1)CCCC2)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823266352 606400032 /nfs/dbraw/zinc/40/00/32/606400032.db2.gz UOCPVJAOYHHATN-UHFFFAOYSA-N -1 3 384.375 0.794 20 0 GCADHM CO[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)F ZINC000821675589 606401117 /nfs/dbraw/zinc/40/11/17/606401117.db2.gz OXIWBCMKPBDONN-SECBINFHSA-N -1 3 376.270 0.638 20 0 GCADHM CO[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000821675589 606401118 /nfs/dbraw/zinc/40/11/18/606401118.db2.gz OXIWBCMKPBDONN-SECBINFHSA-N -1 3 376.270 0.638 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820642778 606402773 /nfs/dbraw/zinc/40/27/73/606402773.db2.gz LMUXMYLQBXJIRH-UXDGFGRTSA-N -1 3 380.405 0.312 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820642778 606402775 /nfs/dbraw/zinc/40/27/75/606402775.db2.gz LMUXMYLQBXJIRH-UXDGFGRTSA-N -1 3 380.405 0.312 20 0 GCADHM O=C(NCCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823191897 606403198 /nfs/dbraw/zinc/40/31/98/606403198.db2.gz RMIWUFNUTPYRHB-NSHDSACASA-N -1 3 392.391 0.504 20 0 GCADHM O=C(NCCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823191897 606403200 /nfs/dbraw/zinc/40/32/00/606403200.db2.gz RMIWUFNUTPYRHB-NSHDSACASA-N -1 3 392.391 0.504 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822860049 606403460 /nfs/dbraw/zinc/40/34/60/606403460.db2.gz MKCSPCDQPIVDJM-PSASIEDQSA-N -1 3 375.364 0.105 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000822860049 606403462 /nfs/dbraw/zinc/40/34/62/606403462.db2.gz MKCSPCDQPIVDJM-PSASIEDQSA-N -1 3 375.364 0.105 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000821510045 606404346 /nfs/dbraw/zinc/40/43/46/606404346.db2.gz UEGSLEUPXWZPFB-SNVBAGLBSA-N -1 3 399.390 0.229 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000821510045 606404348 /nfs/dbraw/zinc/40/43/48/606404348.db2.gz UEGSLEUPXWZPFB-SNVBAGLBSA-N -1 3 399.390 0.229 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000823336852 606405193 /nfs/dbraw/zinc/40/51/93/606405193.db2.gz ASMDIIFLPDKXMX-LSDHHAIUSA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000823336852 606405195 /nfs/dbraw/zinc/40/51/95/606405195.db2.gz ASMDIIFLPDKXMX-LSDHHAIUSA-N -1 3 382.355 0.719 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1=O ZINC000820667720 606405494 /nfs/dbraw/zinc/40/54/94/606405494.db2.gz NRGRKDDGAMSKIZ-JQEORGNBSA-N -1 3 387.375 0.070 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1=O ZINC000820667720 606405496 /nfs/dbraw/zinc/40/54/96/606405496.db2.gz NRGRKDDGAMSKIZ-JQEORGNBSA-N -1 3 387.375 0.070 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=S)Nc3ccccc3-c3nnn[n-]3)CCN2C1=O ZINC000821239838 606415895 /nfs/dbraw/zinc/41/58/95/606415895.db2.gz DGCJVNHXRXISIN-GFCCVEGCSA-N -1 3 386.441 0.532 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=S)Nc3ccccc3-c3nn[n-]n3)CCN2C1=O ZINC000821239838 606415898 /nfs/dbraw/zinc/41/58/98/606415898.db2.gz DGCJVNHXRXISIN-GFCCVEGCSA-N -1 3 386.441 0.532 20 0 GCADHM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2c(-c3nnn[n-]3)cnc3ccccc32)C1=O ZINC000821620204 606422527 /nfs/dbraw/zinc/42/25/27/606422527.db2.gz BTCIQFHHDBSTAW-JEOXALJRSA-N -1 3 392.423 0.969 20 0 GCADHM CN1C(=O)N[C@@]2(CCC[C@H]2CNc2c(-c3nn[n-]n3)cnc3ccccc32)C1=O ZINC000821620204 606422529 /nfs/dbraw/zinc/42/25/29/606422529.db2.gz BTCIQFHHDBSTAW-JEOXALJRSA-N -1 3 392.423 0.969 20 0 GCADHM CCN1C(=O)[C@@H]2CN(c3c(-c4nnn[n-]4)cnc4ccccc43)CCN2C1=O ZINC000821242359 606430591 /nfs/dbraw/zinc/43/05/91/606430591.db2.gz RZPYTXPBNFNXLQ-AWEZNQCLSA-N -1 3 378.396 0.888 20 0 GCADHM CCN1C(=O)[C@@H]2CN(c3c(-c4nn[n-]n4)cnc4ccccc43)CCN2C1=O ZINC000821242359 606430593 /nfs/dbraw/zinc/43/05/93/606430593.db2.gz RZPYTXPBNFNXLQ-AWEZNQCLSA-N -1 3 378.396 0.888 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000822154406 606434145 /nfs/dbraw/zinc/43/41/45/606434145.db2.gz VVXXYHHTQFLYBM-GFCCVEGCSA-N -1 3 378.458 0.853 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000822154406 606434146 /nfs/dbraw/zinc/43/41/46/606434146.db2.gz VVXXYHHTQFLYBM-GFCCVEGCSA-N -1 3 378.458 0.853 20 0 GCADHM C[C@]1([C@@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)NC(=O)NC1=O ZINC000820613084 606434304 /nfs/dbraw/zinc/43/43/04/606434304.db2.gz SHGWFSUVYCJWOC-ADLMAVQZSA-N -1 3 382.428 0.565 20 0 GCADHM C[C@]1([C@@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)NC(=O)NC1=O ZINC000820613084 606434305 /nfs/dbraw/zinc/43/43/05/606434305.db2.gz SHGWFSUVYCJWOC-ADLMAVQZSA-N -1 3 382.428 0.565 20 0 GCADHM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821654139 606434328 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ZINC000821657016 606525290 /nfs/dbraw/zinc/52/52/90/606525290.db2.gz FFJHNFZNXSCKQC-OAHLLOKOSA-N -1 3 389.412 0.816 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCCn1nc2n(c1=O)CCCC2 ZINC000823099092 606527999 /nfs/dbraw/zinc/52/79/99/606527999.db2.gz XSLYPAVRIUKHRD-UHFFFAOYSA-N -1 3 382.428 0.310 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCCn1nc2n(c1=O)CCCC2 ZINC000823099092 606528000 /nfs/dbraw/zinc/52/80/00/606528000.db2.gz XSLYPAVRIUKHRD-UHFFFAOYSA-N -1 3 382.428 0.310 20 0 GCADHM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821691117 606534898 /nfs/dbraw/zinc/53/48/98/606534898.db2.gz JFUKCTWJZGVWPE-CJNGLKHVSA-N -1 3 386.456 0.799 20 0 GCADHM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821691117 606534900 /nfs/dbraw/zinc/53/49/00/606534900.db2.gz JFUKCTWJZGVWPE-CJNGLKHVSA-N -1 3 386.456 0.799 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821637890 606538142 /nfs/dbraw/zinc/53/81/42/606538142.db2.gz 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COC(=O)C[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821659328 606551076 /nfs/dbraw/zinc/55/10/76/606551076.db2.gz ZGHSRECWVUXZGK-SMDDNHRTSA-N -1 3 375.385 0.425 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000822880366 606552656 /nfs/dbraw/zinc/55/26/56/606552656.db2.gz OFJVJHMTSNZCFG-UHFFFAOYSA-N -1 3 381.396 0.977 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000822880366 606552657 /nfs/dbraw/zinc/55/26/57/606552657.db2.gz OFJVJHMTSNZCFG-UHFFFAOYSA-N -1 3 381.396 0.977 20 0 GCADHM CCOc1ccnc(N2CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000821436484 606553084 /nfs/dbraw/zinc/55/30/84/606553084.db2.gz AJSZYKXVVJIPLF-UHFFFAOYSA-N -1 3 394.439 0.947 20 0 GCADHM CCOc1ccnc(N2CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000821436484 606553086 /nfs/dbraw/zinc/55/30/86/606553086.db2.gz AJSZYKXVVJIPLF-UHFFFAOYSA-N -1 3 394.439 0.947 20 0 GCADHM CN1CCN(C[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)s3)CCO2)CC1 ZINC000821627365 606553482 /nfs/dbraw/zinc/55/34/82/606553482.db2.gz YQIPSAWVVVSVBX-GFCCVEGCSA-N -1 3 377.474 0.017 20 0 GCADHM Cn1cc(CN2CCCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000822680395 606554381 /nfs/dbraw/zinc/55/43/81/606554381.db2.gz NMAHXYUJFPDBQY-UHFFFAOYSA-N -1 3 380.456 0.877 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000823488625 606558152 /nfs/dbraw/zinc/55/81/52/606558152.db2.gz QJUZFGKQOFCARY-UHFFFAOYSA-N -1 3 385.409 0.627 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000823488625 606558154 /nfs/dbraw/zinc/55/81/54/606558154.db2.gz QJUZFGKQOFCARY-UHFFFAOYSA-N -1 3 385.409 0.627 20 0 GCADHM O=C(CC[C@H]1NC(=O)NC1=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823542514 606558301 /nfs/dbraw/zinc/55/83/01/606558301.db2.gz WSECMGVFFMOXNB-SECBINFHSA-N -1 3 396.310 0.500 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000820506982 606561670 /nfs/dbraw/zinc/56/16/70/606561670.db2.gz FEWQWORGGHHWLQ-BDAKNGLRSA-N -1 3 378.414 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ZINC000822885703 606578968 /nfs/dbraw/zinc/57/89/68/606578968.db2.gz TWOPKVIKKNFKJI-UHFFFAOYSA-N -1 3 393.367 0.257 20 0 GCADHM CCOC(=O)[C@H](C)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821313678 606580464 /nfs/dbraw/zinc/58/04/64/606580464.db2.gz HHSYXFWLYHPGJI-LLVKDONJSA-N -1 3 395.441 0.097 20 0 GCADHM CN(C)C(=O)COC1CN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821578198 606581283 /nfs/dbraw/zinc/58/12/83/606581283.db2.gz SEJOXTWSBPHBME-INIZCTEOSA-N -1 3 399.455 0.151 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000823303373 606581519 /nfs/dbraw/zinc/58/15/19/606581519.db2.gz HBYGJFIDSCADLB-NSHDSACASA-N -1 3 387.791 0.701 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000823303373 606581520 /nfs/dbraw/zinc/58/15/20/606581520.db2.gz HBYGJFIDSCADLB-NSHDSACASA-N -1 3 387.791 0.701 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820769551 606584341 /nfs/dbraw/zinc/58/43/41/606584341.db2.gz VKFOFWFZJVIXRK-RZYVVHCUSA-N -1 3 390.469 0.666 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820769551 606584342 /nfs/dbraw/zinc/58/43/42/606584342.db2.gz VKFOFWFZJVIXRK-RZYVVHCUSA-N -1 3 390.469 0.666 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)C1 ZINC000820767257 606584652 /nfs/dbraw/zinc/58/46/52/606584652.db2.gz GYVVQVJBYFIHOU-JQWIXIFHSA-N -1 3 381.462 0.373 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)C1 ZINC000820767257 606584654 /nfs/dbraw/zinc/58/46/54/606584654.db2.gz GYVVQVJBYFIHOU-JQWIXIFHSA-N -1 3 381.462 0.373 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000820769770 606584699 /nfs/dbraw/zinc/58/46/99/606584699.db2.gz WLOFYKAJRNNGHX-RISCZKNCSA-N -1 3 394.457 0.032 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000820769770 606584701 /nfs/dbraw/zinc/58/47/01/606584701.db2.gz WLOFYKAJRNNGHX-RISCZKNCSA-N -1 3 394.457 0.032 20 0 GCADHM CC[C@H](NC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC000820920056 606588877 /nfs/dbraw/zinc/58/88/77/606588877.db2.gz JSSVOZMNEDSTHQ-HNNXBMFYSA-N -1 3 387.444 0.646 20 0 GCADHM CC[C@H](NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC000820920056 606588878 /nfs/dbraw/zinc/58/88/78/606588878.db2.gz JSSVOZMNEDSTHQ-HNNXBMFYSA-N -1 3 387.444 0.646 20 0 GCADHM CC[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC000820919837 606588880 /nfs/dbraw/zinc/58/88/80/606588880.db2.gz GWXRFVZWVLQQOL-HNNXBMFYSA-N -1 3 387.444 0.646 20 0 GCADHM CC[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC000820919837 606588881 /nfs/dbraw/zinc/58/88/81/606588881.db2.gz GWXRFVZWVLQQOL-HNNXBMFYSA-N -1 3 387.444 0.646 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821636012 606590095 /nfs/dbraw/zinc/59/00/95/606590095.db2.gz BNWNUVIYHDVFEJ-DGCLKSJQSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821636025 606590497 /nfs/dbraw/zinc/59/04/97/606590497.db2.gz BUQPHPCYUNYEAK-YXVBKTCISA-N -1 3 376.442 0.420 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821636025 606590499 /nfs/dbraw/zinc/59/04/99/606590499.db2.gz BUQPHPCYUNYEAK-YXVBKTCISA-N -1 3 376.442 0.420 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821636030 606590581 /nfs/dbraw/zinc/59/05/81/606590581.db2.gz BYNPKTSUVPAYGZ-NWDGAFQWSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821636030 606590583 /nfs/dbraw/zinc/59/05/83/606590583.db2.gz BYNPKTSUVPAYGZ-NWDGAFQWSA-N -1 3 394.457 0.174 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000820752075 606595615 /nfs/dbraw/zinc/59/56/15/606595615.db2.gz JZMRBWLTKGJFHL-UPJWGTAASA-N -1 3 389.464 0.706 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000820752075 606595616 /nfs/dbraw/zinc/59/56/16/606595616.db2.gz JZMRBWLTKGJFHL-UPJWGTAASA-N -1 3 389.464 0.706 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820766208 606599769 /nfs/dbraw/zinc/59/97/69/606599769.db2.gz ANFJUDNCBHISQV-FZMZJTMJSA-N -1 3 393.473 0.336 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820766208 606599770 /nfs/dbraw/zinc/59/97/70/606599770.db2.gz ANFJUDNCBHISQV-FZMZJTMJSA-N -1 3 393.473 0.336 20 0 GCADHM Cc1cc(O)cc(=O)n1CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822210516 606600509 /nfs/dbraw/zinc/60/05/09/606600509.db2.gz FVGZZYXHDNIVOX-LLVKDONJSA-N -1 3 398.379 0.613 20 0 GCADHM Cc1cc(O)cc(=O)n1CC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822210516 606600510 /nfs/dbraw/zinc/60/05/10/606600510.db2.gz FVGZZYXHDNIVOX-LLVKDONJSA-N -1 3 398.379 0.613 20 0 GCADHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000822549418 606602845 /nfs/dbraw/zinc/60/28/45/606602845.db2.gz ZRAKOFMGOPOQRJ-UHFFFAOYSA-N -1 3 377.386 0.666 20 0 GCADHM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000822549418 606602846 /nfs/dbraw/zinc/60/28/46/606602846.db2.gz ZRAKOFMGOPOQRJ-UHFFFAOYSA-N -1 3 377.386 0.666 20 0 GCADHM CC(C)[C@@H](C)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820017113 606604182 /nfs/dbraw/zinc/60/41/82/606604182.db2.gz SYOJDXHKHRYCPX-GFCCVEGCSA-N -1 3 397.443 0.948 20 0 GCADHM CC(C)[C@@H](C)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820017113 606604183 /nfs/dbraw/zinc/60/41/83/606604183.db2.gz SYOJDXHKHRYCPX-GFCCVEGCSA-N -1 3 397.443 0.948 20 0 GCADHM Cc1nc(NC(=O)CCOC2CCOCC2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822449562 606604386 /nfs/dbraw/zinc/60/43/86/606604386.db2.gz DSCGMYGFLFGXLC-UHFFFAOYSA-N -1 3 398.427 0.702 20 0 GCADHM CC(C)CCN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820074043 606604406 /nfs/dbraw/zinc/60/44/06/606604406.db2.gz YVAKUUYKNQGXAV-UHFFFAOYSA-N -1 3 397.443 0.950 20 0 GCADHM CC(C)CCN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820074043 606604408 /nfs/dbraw/zinc/60/44/08/606604408.db2.gz YVAKUUYKNQGXAV-UHFFFAOYSA-N -1 3 397.443 0.950 20 0 GCADHM CC(C)[C@H](C)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820017115 606604465 /nfs/dbraw/zinc/60/44/65/606604465.db2.gz SYOJDXHKHRYCPX-LBPRGKRZSA-N -1 3 397.443 0.948 20 0 GCADHM CC(C)[C@H](C)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820017115 606604467 /nfs/dbraw/zinc/60/44/67/606604467.db2.gz SYOJDXHKHRYCPX-LBPRGKRZSA-N -1 3 397.443 0.948 20 0 GCADHM O=C(NCc1ccco1)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823262004 606604482 /nfs/dbraw/zinc/60/44/82/606604482.db2.gz ZHGWAGSUNBYKGT-UHFFFAOYSA-N -1 3 393.367 0.354 20 0 GCADHM O=C(NCc1ccco1)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823262004 606604484 /nfs/dbraw/zinc/60/44/84/606604484.db2.gz ZHGWAGSUNBYKGT-UHFFFAOYSA-N -1 3 393.367 0.354 20 0 GCADHM CC[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820863582 606604751 /nfs/dbraw/zinc/60/47/51/606604751.db2.gz UMKJPVAKPAKOKC-NEPJUHHUSA-N -1 3 397.443 0.996 20 0 GCADHM CC[C@@H](C)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820863582 606604752 /nfs/dbraw/zinc/60/47/52/606604752.db2.gz UMKJPVAKPAKOKC-NEPJUHHUSA-N -1 3 397.443 0.996 20 0 GCADHM C[C@H]1C[C@H](C)N(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000820650663 606604955 /nfs/dbraw/zinc/60/49/55/606604955.db2.gz XEUSPFBRNSSHLL-RYUDHWBXSA-N -1 3 395.427 0.702 20 0 GCADHM C[C@H]1C[C@H](C)N(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000820650663 606604957 /nfs/dbraw/zinc/60/49/57/606604957.db2.gz XEUSPFBRNSSHLL-RYUDHWBXSA-N -1 3 395.427 0.702 20 0 GCADHM CN(CC1CC1)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821596764 606605305 /nfs/dbraw/zinc/60/53/05/606605305.db2.gz UNSAVPCGSSHHQQ-UHFFFAOYSA-N -1 3 381.400 0.313 20 0 GCADHM CN(CC1CC1)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821596764 606605306 /nfs/dbraw/zinc/60/53/06/606605306.db2.gz UNSAVPCGSSHHQQ-UHFFFAOYSA-N -1 3 381.400 0.313 20 0 GCADHM CN(CC(F)F)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821594897 606605864 /nfs/dbraw/zinc/60/58/64/606605864.db2.gz GASRRJPEVJIRRW-UHFFFAOYSA-N -1 3 391.342 0.169 20 0 GCADHM CN(CC(F)F)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821594897 606605869 /nfs/dbraw/zinc/60/58/69/606605869.db2.gz GASRRJPEVJIRRW-UHFFFAOYSA-N -1 3 391.342 0.169 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)N[C@H]1CC=CCC1 ZINC000823383684 606606027 /nfs/dbraw/zinc/60/60/27/606606027.db2.gz XVPTYWXPJQELKE-AWEZNQCLSA-N -1 3 393.411 0.670 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)N[C@H]1CC=CCC1 ZINC000823383684 606606029 /nfs/dbraw/zinc/60/60/29/606606029.db2.gz XVPTYWXPJQELKE-AWEZNQCLSA-N -1 3 393.411 0.670 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821377521 606606762 /nfs/dbraw/zinc/60/67/62/606606762.db2.gz DEQHQGCLKVMVJG-UHFFFAOYSA-N -1 3 391.407 0.125 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821377521 606606764 /nfs/dbraw/zinc/60/67/64/606606764.db2.gz DEQHQGCLKVMVJG-UHFFFAOYSA-N -1 3 391.407 0.125 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000820314043 606608099 /nfs/dbraw/zinc/60/80/99/606608099.db2.gz HEIMIRADBXRNPZ-RYUDHWBXSA-N -1 3 385.428 0.711 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000820314043 606608101 /nfs/dbraw/zinc/60/81/01/606608101.db2.gz HEIMIRADBXRNPZ-RYUDHWBXSA-N -1 3 385.428 0.711 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CCO)C1CC1 ZINC000820151026 606611184 /nfs/dbraw/zinc/61/11/84/606611184.db2.gz AJRHEDRACZVYGJ-ZDUSSCGKSA-N -1 3 388.428 0.870 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CCO)C1CC1 ZINC000820151026 606611185 /nfs/dbraw/zinc/61/11/85/606611185.db2.gz AJRHEDRACZVYGJ-ZDUSSCGKSA-N -1 3 388.428 0.870 20 0 GCADHM CC[C@H](CCO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820903268 606611454 /nfs/dbraw/zinc/61/14/54/606611454.db2.gz SARVTCAKMBSSJG-SECBINFHSA-N -1 3 384.343 0.684 20 0 GCADHM CC[C@H](CCO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820903268 606611456 /nfs/dbraw/zinc/61/14/56/606611456.db2.gz SARVTCAKMBSSJG-SECBINFHSA-N -1 3 384.343 0.684 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000823299124 606612212 /nfs/dbraw/zinc/61/22/12/606612212.db2.gz IUXAOTRWFQRIIP-WCBMZHEXSA-N -1 3 394.338 0.460 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000823299124 606612213 /nfs/dbraw/zinc/61/22/13/606612213.db2.gz IUXAOTRWFQRIIP-WCBMZHEXSA-N -1 3 394.338 0.460 20 0 GCADHM COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000821640346 606612788 /nfs/dbraw/zinc/61/27/88/606612788.db2.gz GSOPBAOMNWNLRX-HNNXBMFYSA-N -1 3 394.391 0.878 20 0 GCADHM COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821640346 606612789 /nfs/dbraw/zinc/61/27/89/606612789.db2.gz GSOPBAOMNWNLRX-HNNXBMFYSA-N -1 3 394.391 0.878 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)[C@H](CO)SC ZINC000821400602 606612847 /nfs/dbraw/zinc/61/28/47/606612847.db2.gz MEQQYBZYGQQJQK-ZANVPECISA-N -1 3 394.457 0.433 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@H](CO)SC ZINC000821400602 606612848 /nfs/dbraw/zinc/61/28/48/606612848.db2.gz MEQQYBZYGQQJQK-ZANVPECISA-N -1 3 394.457 0.433 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822308350 606613154 /nfs/dbraw/zinc/61/31/54/606613154.db2.gz DEOGJDHVGZMESF-CQSZACIVSA-N -1 3 384.318 0.639 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000822308350 606613157 /nfs/dbraw/zinc/61/31/57/606613157.db2.gz DEOGJDHVGZMESF-CQSZACIVSA-N -1 3 384.318 0.639 20 0 GCADHM CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821956083 606613259 /nfs/dbraw/zinc/61/32/59/606613259.db2.gz GZEFFNPIJOYXON-SECBINFHSA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821956083 606613261 /nfs/dbraw/zinc/61/32/61/606613261.db2.gz GZEFFNPIJOYXON-SECBINFHSA-N -1 3 384.849 0.689 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1-c1nnn[n-]1 ZINC000822314457 606613364 /nfs/dbraw/zinc/61/33/64/606613364.db2.gz SYUZLEOFGCGNBS-WZRBSPASSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000822314457 606613365 /nfs/dbraw/zinc/61/33/65/606613365.db2.gz SYUZLEOFGCGNBS-WZRBSPASSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000822216088 606613367 /nfs/dbraw/zinc/61/33/67/606613367.db2.gz DZAPLBWIWBQDLN-CQSZACIVSA-N -1 3 384.318 0.639 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000822216088 606613368 /nfs/dbraw/zinc/61/33/68/606613368.db2.gz DZAPLBWIWBQDLN-CQSZACIVSA-N -1 3 384.318 0.639 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822308344 606613391 /nfs/dbraw/zinc/61/33/91/606613391.db2.gz DEOGJDHVGZMESF-AWEZNQCLSA-N -1 3 384.318 0.639 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000822308344 606613392 /nfs/dbraw/zinc/61/33/92/606613392.db2.gz DEOGJDHVGZMESF-AWEZNQCLSA-N -1 3 384.318 0.639 20 0 GCADHM CNC(=O)N1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000821634148 606614211 /nfs/dbraw/zinc/61/42/11/606614211.db2.gz TZGSYKDHYIABCU-JTQLQIEISA-N -1 3 376.421 0.361 20 0 GCADHM Cc1sc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000822558363 606617951 /nfs/dbraw/zinc/61/79/51/606617951.db2.gz PBMGBPBIVMVLNG-SNVBAGLBSA-N -1 3 384.487 0.602 20 0 GCADHM Cc1sc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000822558363 606617953 /nfs/dbraw/zinc/61/79/53/606617953.db2.gz PBMGBPBIVMVLNG-SNVBAGLBSA-N -1 3 384.487 0.602 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN(C)[C@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000822486478 606617982 /nfs/dbraw/zinc/61/79/82/606617982.db2.gz LCIGBFXKVMGJRY-AWEZNQCLSA-N -1 3 387.469 0.980 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820766902 606618295 /nfs/dbraw/zinc/61/82/95/606618295.db2.gz DZEWFXHMWCNUMV-CMPLNLGQSA-N -1 3 395.514 0.823 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820766902 606618296 /nfs/dbraw/zinc/61/82/96/606618296.db2.gz DZEWFXHMWCNUMV-CMPLNLGQSA-N -1 3 395.514 0.823 20 0 GCADHM C[C@@H](N1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)F ZINC000820306700 606621137 /nfs/dbraw/zinc/62/11/37/606621137.db2.gz CKJHKBVAAITYBG-MFKMUULPSA-N -1 3 383.378 0.962 20 0 GCADHM C[C@@H](N1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)F ZINC000820306700 606621138 /nfs/dbraw/zinc/62/11/38/606621138.db2.gz CKJHKBVAAITYBG-MFKMUULPSA-N -1 3 383.378 0.962 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823078123 606623955 /nfs/dbraw/zinc/62/39/55/606623955.db2.gz GIZFIGRXJPQRDV-LSDHHAIUSA-N -1 3 375.454 0.977 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823078123 606623956 /nfs/dbraw/zinc/62/39/56/606623956.db2.gz GIZFIGRXJPQRDV-LSDHHAIUSA-N -1 3 375.454 0.977 20 0 GCADHM COC(=O)C[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CC1 ZINC000821659258 606625778 /nfs/dbraw/zinc/62/57/78/606625778.db2.gz XMIYDZRZCMBJAJ-AWEZNQCLSA-N -1 3 396.411 0.706 20 0 GCADHM COC(=O)C[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CC1 ZINC000821659258 606625780 /nfs/dbraw/zinc/62/57/80/606625780.db2.gz XMIYDZRZCMBJAJ-AWEZNQCLSA-N -1 3 396.411 0.706 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000821700071 606626035 /nfs/dbraw/zinc/62/60/35/606626035.db2.gz BYUZBFCSCLAAGB-WCQYABFASA-N -1 3 377.401 0.564 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000821700071 606626037 /nfs/dbraw/zinc/62/60/37/606626037.db2.gz BYUZBFCSCLAAGB-WCQYABFASA-N -1 3 377.401 0.564 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823155285 606626671 /nfs/dbraw/zinc/62/66/71/606626671.db2.gz QMQAEPSIYYEAEF-UHFFFAOYSA-N -1 3 376.442 0.553 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823155285 606626673 /nfs/dbraw/zinc/62/66/73/606626673.db2.gz QMQAEPSIYYEAEF-UHFFFAOYSA-N -1 3 376.442 0.553 20 0 GCADHM Cn1ncc2c1nnn(Cc1ccc(-c3nnn[n-]3)cc1OC(F)F)c2=O ZINC000822710040 606627254 /nfs/dbraw/zinc/62/72/54/606627254.db2.gz WAHBFZFMJHRWKN-UHFFFAOYSA-N -1 3 375.299 0.355 20 0 GCADHM Cn1ncc2c1nnn(Cc1ccc(-c3nn[n-]n3)cc1OC(F)F)c2=O ZINC000822710040 606627256 /nfs/dbraw/zinc/62/72/56/606627256.db2.gz WAHBFZFMJHRWKN-UHFFFAOYSA-N -1 3 375.299 0.355 20 0 GCADHM Cc1noc(C)c1CCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822523114 606633595 /nfs/dbraw/zinc/63/35/95/606633595.db2.gz QDNKEWBADPFWMR-UHFFFAOYSA-N -1 3 383.412 0.950 20 0 GCADHM Cc1noc(C)c1CCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822523114 606633596 /nfs/dbraw/zinc/63/35/96/606633596.db2.gz QDNKEWBADPFWMR-UHFFFAOYSA-N -1 3 383.412 0.950 20 0 GCADHM Cc1nnc(NC2CCN(S(=O)(=O)C3CC3)CC2)c(-c2nnn[n-]2)c1C ZINC000822516375 606634598 /nfs/dbraw/zinc/63/45/98/606634598.db2.gz XLVXDSFGWORTBU-UHFFFAOYSA-N -1 3 378.462 0.642 20 0 GCADHM Cc1nnc(NC2CCN(S(=O)(=O)C3CC3)CC2)c(-c2nn[n-]n2)c1C ZINC000822516375 606634599 /nfs/dbraw/zinc/63/45/99/606634599.db2.gz XLVXDSFGWORTBU-UHFFFAOYSA-N -1 3 378.462 0.642 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820288976 606634822 /nfs/dbraw/zinc/63/48/22/606634822.db2.gz ZMHAYUHWNZHDBX-VHSXEESVSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820288976 606634823 /nfs/dbraw/zinc/63/48/23/606634823.db2.gz ZMHAYUHWNZHDBX-VHSXEESVSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820286256 606635730 /nfs/dbraw/zinc/63/57/30/606635730.db2.gz ACHLLKGKJUHGOC-ONGXEEELSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820286256 606635731 /nfs/dbraw/zinc/63/57/31/606635731.db2.gz ACHLLKGKJUHGOC-ONGXEEELSA-N -1 3 378.364 0.255 20 0 GCADHM CNC(=O)[C@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821630304 606638643 /nfs/dbraw/zinc/63/86/43/606638643.db2.gz SMYVCLWFUKIPOT-LURJTMIESA-N -1 3 389.235 0.042 20 0 GCADHM CNC(=O)[C@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821630304 606638644 /nfs/dbraw/zinc/63/86/44/606638644.db2.gz SMYVCLWFUKIPOT-LURJTMIESA-N -1 3 389.235 0.042 20 0 GCADHM COC(=O)CCNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821661326 606638804 /nfs/dbraw/zinc/63/88/04/606638804.db2.gz DAUVPYRBFYKREH-UHFFFAOYSA-N -1 3 390.219 0.471 20 0 GCADHM COC(=O)CCNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821661326 606638805 /nfs/dbraw/zinc/63/88/05/606638805.db2.gz DAUVPYRBFYKREH-UHFFFAOYSA-N -1 3 390.219 0.471 20 0 GCADHM Cc1nn(CCCOc2ccc(S(C)(=O)=O)cc2)c(N)c1-c1nnn[n-]1 ZINC000822501042 606654566 /nfs/dbraw/zinc/65/45/66/606654566.db2.gz SKDSUMQWUXFQDF-UHFFFAOYSA-N -1 3 377.430 0.826 20 0 GCADHM Cc1nn(CCCOc2ccc(S(C)(=O)=O)cc2)c(N)c1-c1nn[n-]n1 ZINC000822501042 606654567 /nfs/dbraw/zinc/65/45/67/606654567.db2.gz SKDSUMQWUXFQDF-UHFFFAOYSA-N -1 3 377.430 0.826 20 0 GCADHM CC(C)(CO)CCCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000819984053 606658054 /nfs/dbraw/zinc/65/80/54/606658054.db2.gz PCCPELZGSXVEIF-UHFFFAOYSA-N -1 3 388.476 0.892 20 0 GCADHM CC(C)(CO)CCCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000819984053 606658055 /nfs/dbraw/zinc/65/80/55/606658055.db2.gz PCCPELZGSXVEIF-UHFFFAOYSA-N -1 3 388.476 0.892 20 0 GCADHM O=C(CN1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1)NC1CC1 ZINC000822996311 606662907 /nfs/dbraw/zinc/66/29/07/606662907.db2.gz BSOJKOHBZPFREX-UHFFFAOYSA-N -1 3 391.382 0.181 20 0 GCADHM O=C(CN1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1)NC1CC1 ZINC000822996311 606662908 /nfs/dbraw/zinc/66/29/08/606662908.db2.gz BSOJKOHBZPFREX-UHFFFAOYSA-N -1 3 391.382 0.181 20 0 GCADHM CS(=O)(=O)N1CCC(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821932397 606665388 /nfs/dbraw/zinc/66/53/88/606665388.db2.gz LNYXNCQFRWJPAK-UHFFFAOYSA-N -1 3 386.384 0.299 20 0 GCADHM CS(=O)(=O)N1CCC(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821932397 606665389 /nfs/dbraw/zinc/66/53/89/606665389.db2.gz LNYXNCQFRWJPAK-UHFFFAOYSA-N -1 3 386.384 0.299 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC(N2CCNC2=O)CC1 ZINC000823453953 606672466 /nfs/dbraw/zinc/67/24/66/606672466.db2.gz GOGSXRDYQZFSGC-UHFFFAOYSA-N -1 3 377.355 0.775 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC(N2CCNC2=O)CC1 ZINC000823453953 606672467 /nfs/dbraw/zinc/67/24/67/606672467.db2.gz GOGSXRDYQZFSGC-UHFFFAOYSA-N -1 3 377.355 0.775 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000821578187 606676122 /nfs/dbraw/zinc/67/61/22/606676122.db2.gz RNIPFWXDLDCLGG-UHFFFAOYSA-N -1 3 376.327 0.682 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000821578187 606676123 /nfs/dbraw/zinc/67/61/23/606676123.db2.gz RNIPFWXDLDCLGG-UHFFFAOYSA-N -1 3 376.327 0.682 20 0 GCADHM CCOC(=O)CN1CCCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821330062 606676565 /nfs/dbraw/zinc/67/65/65/606676565.db2.gz CNWIVTFBRYAFBO-UHFFFAOYSA-N -1 3 394.382 0.856 20 0 GCADHM CCOC(=O)CN1CCCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821330062 606676566 /nfs/dbraw/zinc/67/65/66/606676566.db2.gz CNWIVTFBRYAFBO-UHFFFAOYSA-N -1 3 394.382 0.856 20 0 GCADHM Cc1cc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[nH]n1 ZINC000822200120 606676984 /nfs/dbraw/zinc/67/69/84/606676984.db2.gz VJVWRQWYCZSYFQ-CQSZACIVSA-N -1 3 398.452 0.981 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000823459991 606682255 /nfs/dbraw/zinc/68/22/55/606682255.db2.gz FJDBTDSBKYNAIA-KGLIPLIRSA-N -1 3 378.383 0.816 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000823459991 606682256 /nfs/dbraw/zinc/68/22/56/606682256.db2.gz FJDBTDSBKYNAIA-KGLIPLIRSA-N -1 3 378.383 0.816 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000823460876 606683827 /nfs/dbraw/zinc/68/38/27/606683827.db2.gz YLRFAWJLSQWUTN-LLVKDONJSA-N -1 3 375.339 0.883 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000823460876 606683828 /nfs/dbraw/zinc/68/38/28/606683828.db2.gz YLRFAWJLSQWUTN-LLVKDONJSA-N -1 3 375.339 0.883 20 0 GCADHM CN(CCN1CCCS1(=O)=O)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821601321 606684338 /nfs/dbraw/zinc/68/43/38/606684338.db2.gz BCSUCLNVXLAEGA-UHFFFAOYSA-N -1 3 386.384 0.252 20 0 GCADHM CN(CCN1CCCS1(=O)=O)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821601321 606684339 /nfs/dbraw/zinc/68/43/39/606684339.db2.gz BCSUCLNVXLAEGA-UHFFFAOYSA-N -1 3 386.384 0.252 20 0 GCADHM C[S@](=O)CCN1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821943107 606686590 /nfs/dbraw/zinc/68/65/90/606686590.db2.gz SWDJSBZVOUIWBC-SANMLTNESA-N -1 3 384.412 0.281 20 0 GCADHM C[S@](=O)CCN1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821943107 606686591 /nfs/dbraw/zinc/68/65/91/606686591.db2.gz SWDJSBZVOUIWBC-SANMLTNESA-N -1 3 384.412 0.281 20 0 GCADHM O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823541323 606687859 /nfs/dbraw/zinc/68/78/59/606687859.db2.gz PCULKQLPQNHYTN-BCTVWOGZSA-N -1 3 391.338 0.253 20 0 GCADHM O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823541323 606687860 /nfs/dbraw/zinc/68/78/60/606687860.db2.gz PCULKQLPQNHYTN-BCTVWOGZSA-N -1 3 391.338 0.253 20 0 GCADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000823488518 606688665 /nfs/dbraw/zinc/68/86/65/606688665.db2.gz PDYCRLOMOATHNG-OKILXGFUSA-N -1 3 382.380 0.622 20 0 GCADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1C[C@H](O)C[C@H](O)C1 ZINC000823488518 606688666 /nfs/dbraw/zinc/68/86/66/606688666.db2.gz PDYCRLOMOATHNG-OKILXGFUSA-N -1 3 382.380 0.622 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CCN2C1=O ZINC000821242810 606689070 /nfs/dbraw/zinc/68/90/70/606689070.db2.gz WFSGERZHSQSFRB-NSHDSACASA-N -1 3 391.338 0.253 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CCN2C1=O ZINC000821242810 606689071 /nfs/dbraw/zinc/68/90/71/606689071.db2.gz WFSGERZHSQSFRB-NSHDSACASA-N -1 3 391.338 0.253 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821636212 606689856 /nfs/dbraw/zinc/68/98/56/606689856.db2.gz JRGGMIATBMRGQL-VIFPVBQESA-N -1 3 386.384 0.299 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821636212 606689857 /nfs/dbraw/zinc/68/98/57/606689857.db2.gz JRGGMIATBMRGQL-VIFPVBQESA-N -1 3 386.384 0.299 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819857363 606691380 /nfs/dbraw/zinc/69/13/80/606691380.db2.gz RRDSFNGEHNRCDV-AWEZNQCLSA-N -1 3 383.456 0.635 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819857363 606691381 /nfs/dbraw/zinc/69/13/81/606691381.db2.gz RRDSFNGEHNRCDV-AWEZNQCLSA-N -1 3 383.456 0.635 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819858177 606691706 /nfs/dbraw/zinc/69/17/06/606691706.db2.gz ZWWFIXRIUWSAOF-HNNXBMFYSA-N -1 3 397.483 0.564 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819858177 606691707 /nfs/dbraw/zinc/69/17/07/606691707.db2.gz ZWWFIXRIUWSAOF-HNNXBMFYSA-N -1 3 397.483 0.564 20 0 GCADHM CN1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C(C)(C)C1=O ZINC000821627144 606694138 /nfs/dbraw/zinc/69/41/38/606694138.db2.gz PDHNXZZKYHQKMQ-UHFFFAOYSA-N -1 3 395.427 0.327 20 0 GCADHM CN1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C(C)(C)C1=O ZINC000821627144 606694139 /nfs/dbraw/zinc/69/41/39/606694139.db2.gz PDHNXZZKYHQKMQ-UHFFFAOYSA-N -1 3 395.427 0.327 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[C@H]1C ZINC000821656158 606694144 /nfs/dbraw/zinc/69/41/44/606694144.db2.gz YSEWELACVLKTMV-YGRLFVJLSA-N -1 3 396.411 0.516 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C[C@H]1C ZINC000821656158 606694145 /nfs/dbraw/zinc/69/41/45/606694145.db2.gz YSEWELACVLKTMV-YGRLFVJLSA-N -1 3 396.411 0.516 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000822903925 606695256 /nfs/dbraw/zinc/69/52/56/606695256.db2.gz QCGBAHDUNVEEIC-UHFFFAOYSA-N -1 3 380.290 0.734 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC[S@](C)=O)CC1 ZINC000821650282 606707426 /nfs/dbraw/zinc/70/74/26/606707426.db2.gz NZGYYAIVCPFNRV-RXAIFQJESA-N -1 3 392.485 0.077 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC[S@](C)=O)CC1 ZINC000821650282 606707429 /nfs/dbraw/zinc/70/74/29/606707429.db2.gz NZGYYAIVCPFNRV-RXAIFQJESA-N -1 3 392.485 0.077 20 0 GCADHM C[S@@](=O)CCN1CCN(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821942821 606708023 /nfs/dbraw/zinc/70/80/23/606708023.db2.gz RQGDJVDFZPYZTJ-HHHXNRCGSA-N -1 3 391.501 0.191 20 0 GCADHM COC(=O)[C@@H]1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC000821657267 606716843 /nfs/dbraw/zinc/71/68/43/606716843.db2.gz KYRLZMLXUYRJPA-SMDDNHRTSA-N -1 3 379.442 0.381 20 0 GCADHM COC(=O)[C@@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000821657267 606716845 /nfs/dbraw/zinc/71/68/45/606716845.db2.gz KYRLZMLXUYRJPA-SMDDNHRTSA-N -1 3 379.442 0.381 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821696595 606716944 /nfs/dbraw/zinc/71/69/44/606716944.db2.gz JAOVKLNSMGOTMW-DZGCQCFKSA-N -1 3 398.427 0.943 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821696595 606716945 /nfs/dbraw/zinc/71/69/45/606716945.db2.gz JAOVKLNSMGOTMW-DZGCQCFKSA-N -1 3 398.427 0.943 20 0 GCADHM O=S(=O)(N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1)C(F)(F)F ZINC000823567334 606730686 /nfs/dbraw/zinc/73/06/86/606730686.db2.gz QEHYSVFASZJOMU-UHFFFAOYSA-N -1 3 377.352 0.988 20 0 GCADHM O=S(=O)(N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1)C(F)(F)F ZINC000823567334 606730688 /nfs/dbraw/zinc/73/06/88/606730688.db2.gz QEHYSVFASZJOMU-UHFFFAOYSA-N -1 3 377.352 0.988 20 0 GCADHM CCOC(=O)[C@@H](C)N(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821313491 606734670 /nfs/dbraw/zinc/73/46/70/606734670.db2.gz GPHDEDCIJFXNBJ-SSDOTTSWSA-N -1 3 375.357 0.717 20 0 GCADHM CCOC(=O)[C@@H](C)N(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821313491 606734672 /nfs/dbraw/zinc/73/46/72/606734672.db2.gz GPHDEDCIJFXNBJ-SSDOTTSWSA-N -1 3 375.357 0.717 20 0 GCADHM O=C(NCCCn1cncn1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823197309 606735746 /nfs/dbraw/zinc/73/57/46/606735746.db2.gz PQFQZZQXUIYBJM-UHFFFAOYSA-N -1 3 375.780 0.257 20 0 GCADHM O=C(NCCCn1cncn1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823197309 606735748 /nfs/dbraw/zinc/73/57/48/606735748.db2.gz PQFQZZQXUIYBJM-UHFFFAOYSA-N -1 3 375.780 0.257 20 0 GCADHM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821286840 606738076 /nfs/dbraw/zinc/73/80/76/606738076.db2.gz XQLUOMQBGAZFSJ-VIFPVBQESA-N -1 3 383.409 0.088 20 0 GCADHM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821286840 606738078 /nfs/dbraw/zinc/73/80/78/606738078.db2.gz XQLUOMQBGAZFSJ-VIFPVBQESA-N -1 3 383.409 0.088 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000821631221 606739445 /nfs/dbraw/zinc/73/94/45/606739445.db2.gz BPWUFLBZJJVKLJ-JTQLQIEISA-N -1 3 391.819 0.443 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000821631221 606739447 /nfs/dbraw/zinc/73/94/47/606739447.db2.gz BPWUFLBZJJVKLJ-JTQLQIEISA-N -1 3 391.819 0.443 20 0 GCADHM Cn1cc([C@]2(C)CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822673988 606739469 /nfs/dbraw/zinc/73/94/69/606739469.db2.gz IOKBNZAPBZOBRR-INIZCTEOSA-N -1 3 389.441 0.537 20 0 GCADHM Cn1cc([C@]2(C)CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822673988 606739471 /nfs/dbraw/zinc/73/94/71/606739471.db2.gz IOKBNZAPBZOBRR-INIZCTEOSA-N -1 3 389.441 0.537 20 0 GCADHM CCN1CCO[C@@H](CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000821277143 606739550 /nfs/dbraw/zinc/73/95/50/606739550.db2.gz QIOSQBDNJQBKER-NSHDSACASA-N -1 3 393.835 0.296 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000823289656 606740305 /nfs/dbraw/zinc/74/03/05/606740305.db2.gz LYQBRCGUKKLRTM-LLVKDONJSA-N -1 3 394.819 0.459 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000823289656 606740307 /nfs/dbraw/zinc/74/03/07/606740307.db2.gz LYQBRCGUKKLRTM-LLVKDONJSA-N -1 3 394.819 0.459 20 0 GCADHM O=C(NCCN1CCSCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823196330 606740356 /nfs/dbraw/zinc/74/03/56/606740356.db2.gz FGMFEKNEVQTSNP-UHFFFAOYSA-N -1 3 395.876 0.624 20 0 GCADHM O=C(NCCN1CCSCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823196330 606740358 /nfs/dbraw/zinc/74/03/58/606740358.db2.gz FGMFEKNEVQTSNP-UHFFFAOYSA-N -1 3 395.876 0.624 20 0 GCADHM CCNC(=O)N1CC[C@H](NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000821286649 606744085 /nfs/dbraw/zinc/74/40/85/606744085.db2.gz UIFQOQXCPCMVGV-LBPRGKRZSA-N -1 3 389.416 0.174 20 0 GCADHM CCNC(=O)N1CC[C@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000821286649 606744087 /nfs/dbraw/zinc/74/40/87/606744087.db2.gz UIFQOQXCPCMVGV-LBPRGKRZSA-N -1 3 389.416 0.174 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821509104 606744424 /nfs/dbraw/zinc/74/44/24/606744424.db2.gz CZGGNBVNAFBVMH-CYBMUJFWSA-N -1 3 388.457 0.975 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821509104 606744426 /nfs/dbraw/zinc/74/44/26/606744426.db2.gz CZGGNBVNAFBVMH-CYBMUJFWSA-N -1 3 388.457 0.975 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H]1C ZINC000821656889 606744581 /nfs/dbraw/zinc/74/45/81/606744581.db2.gz BGRXPDVDEXUKHG-LDYMZIIASA-N -1 3 385.833 0.950 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H]1C ZINC000821656889 606744582 /nfs/dbraw/zinc/74/45/82/606744582.db2.gz BGRXPDVDEXUKHG-LDYMZIIASA-N -1 3 385.833 0.950 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821508779 606744909 /nfs/dbraw/zinc/74/49/09/606744909.db2.gz AWDSRWAZGOIIBM-GFCCVEGCSA-N -1 3 392.420 0.973 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821508779 606744911 /nfs/dbraw/zinc/74/49/11/606744911.db2.gz AWDSRWAZGOIIBM-GFCCVEGCSA-N -1 3 392.420 0.973 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C[C@H]1C ZINC000821657292 606745082 /nfs/dbraw/zinc/74/50/82/606745082.db2.gz LKDSOUFKNZVQBM-KCJUWKMLSA-N -1 3 385.833 0.950 20 0 GCADHM CC(C)C[C@H](C(=O)OCCn1ncc(-c2nnn[n-]2)c1N)N1CCCCC1=O ZINC000820051896 606747366 /nfs/dbraw/zinc/74/73/66/606747366.db2.gz XFWHMKQKQZVRDG-CYBMUJFWSA-N -1 3 390.448 0.616 20 0 GCADHM CC(C)C[C@H](C(=O)OCCn1ncc(-c2nn[n-]n2)c1N)N1CCCCC1=O ZINC000820051896 606747368 /nfs/dbraw/zinc/74/73/68/606747368.db2.gz XFWHMKQKQZVRDG-CYBMUJFWSA-N -1 3 390.448 0.616 20 0 GCADHM O=C(NCCC1CCC1)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823182871 606748235 /nfs/dbraw/zinc/74/82/35/606748235.db2.gz PFIFQNWDOAJSKW-UHFFFAOYSA-N -1 3 395.427 0.751 20 0 GCADHM O=C(NCCC1CCC1)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823182871 606748237 /nfs/dbraw/zinc/74/82/37/606748237.db2.gz PFIFQNWDOAJSKW-UHFFFAOYSA-N -1 3 395.427 0.751 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821509449 606749590 /nfs/dbraw/zinc/74/95/90/606749590.db2.gz HFNUYXHLWVZZRY-LBPRGKRZSA-N -1 3 381.400 0.610 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821509449 606749592 /nfs/dbraw/zinc/74/95/92/606749592.db2.gz HFNUYXHLWVZZRY-LBPRGKRZSA-N -1 3 381.400 0.610 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000820032471 606751361 /nfs/dbraw/zinc/75/13/61/606751361.db2.gz NZEGXKYOFXLWJE-PVAVHDDUSA-N -1 3 386.456 0.812 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000820032471 606751363 /nfs/dbraw/zinc/75/13/63/606751363.db2.gz NZEGXKYOFXLWJE-PVAVHDDUSA-N -1 3 386.456 0.812 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000823309339 606751880 /nfs/dbraw/zinc/75/18/80/606751880.db2.gz XPCVYLGGFMYBRF-CYBMUJFWSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000823309339 606751882 /nfs/dbraw/zinc/75/18/82/606751882.db2.gz XPCVYLGGFMYBRF-CYBMUJFWSA-N -1 3 396.386 0.734 20 0 GCADHM Cc1oc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)cc1S(N)(=O)=O ZINC000822540495 606752631 /nfs/dbraw/zinc/75/26/31/606752631.db2.gz BZSALPXJGGSQIH-UHFFFAOYSA-N -1 3 393.381 0.651 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC(S(C)(=O)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000822542596 606754484 /nfs/dbraw/zinc/75/44/84/606754484.db2.gz ZZRGGCXZWKONQG-SNVBAGLBSA-N -1 3 396.473 0.913 20 0 GCADHM CC(C)CNC(=O)NC(=O)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820098010 606754607 /nfs/dbraw/zinc/75/46/07/606754607.db2.gz VRORJAFDOFFQFI-UHFFFAOYSA-N -1 3 382.327 0.784 20 0 GCADHM CC(C)CNC(=O)NC(=O)COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820098010 606754608 /nfs/dbraw/zinc/75/46/08/606754608.db2.gz VRORJAFDOFFQFI-UHFFFAOYSA-N -1 3 382.327 0.784 20 0 GCADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)NC[C@H]1CCCO1 ZINC000820500696 606754925 /nfs/dbraw/zinc/75/49/25/606754925.db2.gz GAIWLTNEDZUCPM-PSASIEDQSA-N -1 3 381.339 0.985 20 0 GCADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)NC[C@H]1CCCO1 ZINC000820500696 606754927 /nfs/dbraw/zinc/75/49/27/606754927.db2.gz GAIWLTNEDZUCPM-PSASIEDQSA-N -1 3 381.339 0.985 20 0 GCADHM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822859412 606756125 /nfs/dbraw/zinc/75/61/25/606756125.db2.gz HACJYOPRGUNJBK-LLVKDONJSA-N -1 3 394.338 0.168 20 0 GCADHM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822859412 606756126 /nfs/dbraw/zinc/75/61/26/606756126.db2.gz HACJYOPRGUNJBK-LLVKDONJSA-N -1 3 394.338 0.168 20 0 GCADHM Cn1cc([C@@]2(C)CN(CC(=O)Nc3sccc3-c3nnn[n-]3)CCO2)cn1 ZINC000822668996 606756981 /nfs/dbraw/zinc/75/69/81/606756981.db2.gz FKUWVZQTCPBEGL-MRXNPFEDSA-N -1 3 388.457 0.848 20 0 GCADHM Cn1cc([C@@]2(C)CN(CC(=O)Nc3sccc3-c3nn[n-]n3)CCO2)cn1 ZINC000822668996 606756983 /nfs/dbraw/zinc/75/69/83/606756983.db2.gz FKUWVZQTCPBEGL-MRXNPFEDSA-N -1 3 388.457 0.848 20 0 GCADHM Cn1cc([C@]2(C)CN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822670046 606757508 /nfs/dbraw/zinc/75/75/08/606757508.db2.gz ZPENMXOYQIFPGC-YJBOKZPZSA-N -1 3 382.428 0.374 20 0 GCADHM Cn1cc([C@]2(C)CN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822670046 606757510 /nfs/dbraw/zinc/75/75/10/606757510.db2.gz ZPENMXOYQIFPGC-YJBOKZPZSA-N -1 3 382.428 0.374 20 0 GCADHM Nc1c(-n2cccn2)ncnc1N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822907307 606757818 /nfs/dbraw/zinc/75/78/18/606757818.db2.gz GXJJIQLDIVTSLR-UHFFFAOYSA-N -1 3 390.415 0.146 20 0 GCADHM Nc1c(-n2cccn2)ncnc1N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822907307 606757819 /nfs/dbraw/zinc/75/78/19/606757819.db2.gz GXJJIQLDIVTSLR-UHFFFAOYSA-N -1 3 390.415 0.146 20 0 GCADHM CN(C)c1nc(N)nc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000821590684 606758730 /nfs/dbraw/zinc/75/87/30/606758730.db2.gz AREWFLNDQLRHDJ-UHFFFAOYSA-N -1 3 377.315 0.335 20 0 GCADHM CN(C)c1nc(N)nc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000821590684 606758732 /nfs/dbraw/zinc/75/87/32/606758732.db2.gz AREWFLNDQLRHDJ-UHFFFAOYSA-N -1 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ZINC000821637602 606806866 /nfs/dbraw/zinc/80/68/66/606806866.db2.gz MROMLTHJYLRDSS-UHFFFAOYSA-N -1 3 388.432 0.293 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821637729 606806939 /nfs/dbraw/zinc/80/69/39/606806939.db2.gz REYKXKPVCJBQEU-UHFFFAOYSA-N -1 3 388.432 0.293 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821637729 606806941 /nfs/dbraw/zinc/80/69/41/606806941.db2.gz REYKXKPVCJBQEU-UHFFFAOYSA-N -1 3 388.432 0.293 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820293232 606809139 /nfs/dbraw/zinc/80/91/39/606809139.db2.gz JIRWZFKXQNRPIB-JTQLQIEISA-N -1 3 385.471 0.453 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820293232 606809140 /nfs/dbraw/zinc/80/91/40/606809140.db2.gz JIRWZFKXQNRPIB-JTQLQIEISA-N -1 3 385.471 0.453 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820294897 606809184 /nfs/dbraw/zinc/80/91/84/606809184.db2.gz 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CCC(=O)N1CC[C@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820838549 606813906 /nfs/dbraw/zinc/81/39/06/606813906.db2.gz VTIYKAXKJJYXRR-GOEBONIOSA-N -1 3 383.456 0.963 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000821612099 606814241 /nfs/dbraw/zinc/81/42/41/606814241.db2.gz IRVUZHCZXUOXMN-UHFFFAOYSA-N -1 3 390.354 0.925 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000821612099 606814243 /nfs/dbraw/zinc/81/42/43/606814243.db2.gz IRVUZHCZXUOXMN-UHFFFAOYSA-N -1 3 390.354 0.925 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCn2nc(C)nc2C1 ZINC000821400993 606817165 /nfs/dbraw/zinc/81/71/65/606817165.db2.gz RUCZXALIQFKXHO-UHFFFAOYSA-N -1 3 397.399 0.146 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2nc(C)nc2C1 ZINC000821400993 606817168 /nfs/dbraw/zinc/81/71/68/606817168.db2.gz RUCZXALIQFKXHO-UHFFFAOYSA-N -1 3 397.399 0.146 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820838639 606817296 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390.469 0.714 20 0 GCADHM C[C@H](c1nc(-c2nc[nH]n2)no1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000820570450 606824021 /nfs/dbraw/zinc/82/40/21/606824021.db2.gz JYCUWMYGWHLPCD-ZCFIWIBFSA-N -1 3 391.348 0.709 20 0 GCADHM C[C@H](c1nc(-c2nc[nH]n2)no1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000820570450 606824022 /nfs/dbraw/zinc/82/40/22/606824022.db2.gz JYCUWMYGWHLPCD-ZCFIWIBFSA-N -1 3 391.348 0.709 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000821412511 606826739 /nfs/dbraw/zinc/82/67/39/606826739.db2.gz NDWYWZQXIXSBCS-AWEZNQCLSA-N -1 3 387.444 0.804 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000821412511 606826741 /nfs/dbraw/zinc/82/67/41/606826741.db2.gz NDWYWZQXIXSBCS-AWEZNQCLSA-N -1 3 387.444 0.804 20 0 GCADHM C[C@H](NC(=O)CSCCOc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC000820333421 606828003 /nfs/dbraw/zinc/82/80/03/606828003.db2.gz BCRWJKOAMQLWSJ-NSHDSACASA-N -1 3 378.458 0.572 20 0 GCADHM C[C@H](NC(=O)CSCCOc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C 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/nfs/dbraw/zinc/84/14/28/606841428.db2.gz YUWPPWPUCVRCBQ-NSHDSACASA-N -1 3 382.421 0.543 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000819805089 606841449 /nfs/dbraw/zinc/84/14/49/606841449.db2.gz YUWPPWPUCVRCBQ-LLVKDONJSA-N -1 3 382.421 0.543 20 0 GCADHM COC(=O)[C@@H](C)CS(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821639360 606842731 /nfs/dbraw/zinc/84/27/31/606842731.db2.gz WLQVMUWMVQAZJF-NSHDSACASA-N -1 3 379.442 0.970 20 0 GCADHM COC(=O)[C@@H](C)CS(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000821639360 606842735 /nfs/dbraw/zinc/84/27/35/606842735.db2.gz WLQVMUWMVQAZJF-NSHDSACASA-N -1 3 379.442 0.970 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000821690738 606842942 /nfs/dbraw/zinc/84/29/42/606842942.db2.gz XUWOVKYMNIBDDK-LBPRGKRZSA-N -1 3 397.457 0.454 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C[C@H](C)C(=O)OC ZINC000821690738 606842943 /nfs/dbraw/zinc/84/29/43/606842943.db2.gz XUWOVKYMNIBDDK-LBPRGKRZSA-N -1 3 397.457 0.454 20 0 GCADHM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C2 ZINC000820211313 606843364 /nfs/dbraw/zinc/84/33/64/606843364.db2.gz ICLMQWUOFZHNFP-UHFFFAOYSA-N -1 3 392.420 0.925 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@@H]1C ZINC000821378854 606844052 /nfs/dbraw/zinc/84/40/52/606844052.db2.gz VMAYKQDUZVGZAG-LBPRGKRZSA-N -1 3 398.464 0.737 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@@H]1C ZINC000821378854 606844053 /nfs/dbraw/zinc/84/40/53/606844053.db2.gz VMAYKQDUZVGZAG-LBPRGKRZSA-N -1 3 398.464 0.737 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823606261 606847379 /nfs/dbraw/zinc/84/73/79/606847379.db2.gz HSTMNBZZVVAGMI-QWHCGFSZSA-N -1 3 383.405 0.574 20 0 GCADHM CC1(C)CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000820607267 606847889 /nfs/dbraw/zinc/84/78/89/606847889.db2.gz OIKKKGQKRJYSMR-UHFFFAOYSA-N -1 3 389.434 0.204 20 0 GCADHM CC(C)COC[C@@H](O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820103449 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3 388.409 0.209 20 0 GCADHM NS(=O)(=O)c1ccccc1OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822898929 606870271 /nfs/dbraw/zinc/87/02/71/606870271.db2.gz CDOHZZNXTNLEDT-UHFFFAOYSA-N -1 3 388.409 0.209 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696849 606871532 /nfs/dbraw/zinc/87/15/32/606871532.db2.gz RMFXHMKDTBUWBV-RISCZKNCSA-N -1 3 397.443 0.980 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696849 606871534 /nfs/dbraw/zinc/87/15/34/606871534.db2.gz RMFXHMKDTBUWBV-RISCZKNCSA-N -1 3 397.443 0.980 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000819797335 606873434 /nfs/dbraw/zinc/87/34/34/606873434.db2.gz ZZKGMZFGENDZIV-SECBINFHSA-N -1 3 384.849 0.761 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696746 606875990 /nfs/dbraw/zinc/87/59/90/606875990.db2.gz OKOIYQJWCVGNNA-CQSZACIVSA-N -1 3 397.443 0.761 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696746 606875991 /nfs/dbraw/zinc/87/59/91/606875991.db2.gz OKOIYQJWCVGNNA-CQSZACIVSA-N -1 3 397.443 0.761 20 0 GCADHM CCCN(CC(=O)OC)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821087689 606885882 /nfs/dbraw/zinc/88/58/82/606885882.db2.gz FAGHDBBGIVPLDV-UHFFFAOYSA-N -1 3 375.357 0.719 20 0 GCADHM CCCN(CC(=O)OC)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821087689 606885884 /nfs/dbraw/zinc/88/58/84/606885884.db2.gz FAGHDBBGIVPLDV-UHFFFAOYSA-N -1 3 375.357 0.719 20 0 GCADHM NC(=O)CN(C1CCCC1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822869175 606886767 /nfs/dbraw/zinc/88/67/67/606886767.db2.gz PXXQSRXGAHUSTP-UHFFFAOYSA-N -1 3 386.384 0.564 20 0 GCADHM NC(=O)CN(C1CCCC1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822869175 606886769 /nfs/dbraw/zinc/88/67/69/606886769.db2.gz PXXQSRXGAHUSTP-UHFFFAOYSA-N -1 3 386.384 0.564 20 0 GCADHM CCOC(=O)CN(C1CC1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821330324 606888563 /nfs/dbraw/zinc/88/85/63/606888563.db2.gz HCINQDZCAIGQQH-UHFFFAOYSA-N -1 3 387.368 0.861 20 0 GCADHM CCOC(=O)CN(C1CC1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821330324 606888565 /nfs/dbraw/zinc/88/85/65/606888565.db2.gz HCINQDZCAIGQQH-UHFFFAOYSA-N -1 3 387.368 0.861 20 0 GCADHM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821653819 606894429 /nfs/dbraw/zinc/89/44/29/606894429.db2.gz MAMUCPUKMABTLJ-ZDUSSCGKSA-N -1 3 391.331 0.421 20 0 GCADHM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821653819 606894430 /nfs/dbraw/zinc/89/44/30/606894430.db2.gz MAMUCPUKMABTLJ-ZDUSSCGKSA-N -1 3 391.331 0.421 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823488334 606903133 /nfs/dbraw/zinc/90/31/33/606903133.db2.gz LRCJTAPVPUXVEK-UHFFFAOYSA-N -1 3 390.411 0.262 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)CC2 ZINC000821696466 606904273 /nfs/dbraw/zinc/90/42/73/606904273.db2.gz DMUGTWPUJWPLAN-NEPJUHHUSA-N -1 3 398.427 0.503 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696466 606904274 /nfs/dbraw/zinc/90/42/74/606904274.db2.gz DMUGTWPUJWPLAN-NEPJUHHUSA-N -1 3 398.427 0.503 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696862 606904821 /nfs/dbraw/zinc/90/48/21/606904821.db2.gz RUEFPMDYRDONRI-YPMHNXCESA-N -1 3 398.427 0.503 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000820152227 606905381 /nfs/dbraw/zinc/90/53/81/606905381.db2.gz UTLPKRMGUDKNMQ-GFCCVEGCSA-N -1 3 386.416 0.895 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000820152227 606905383 /nfs/dbraw/zinc/90/53/83/606905383.db2.gz UTLPKRMGUDKNMQ-GFCCVEGCSA-N -1 3 386.416 0.895 20 0 GCADHM CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820015500 606907596 /nfs/dbraw/zinc/90/75/96/606907596.db2.gz DCPBBCFMXFBDIX-VOJFVSQTSA-N -1 3 385.428 0.794 20 0 GCADHM CC(C)[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820015500 606907597 /nfs/dbraw/zinc/90/75/97/606907597.db2.gz DCPBBCFMXFBDIX-VOJFVSQTSA-N -1 3 385.428 0.794 20 0 GCADHM Cn1cc(N2CCN(CCCOc3cccc(-c4nnn[n-]4)c3)CC2=O)cn1 ZINC000822684747 606909361 /nfs/dbraw/zinc/90/93/61/606909361.db2.gz GSNFNFAOGCLYJY-UHFFFAOYSA-N -1 3 382.428 0.718 20 0 GCADHM Cn1cc(N2CCN(CCCOc3cccc(-c4nn[n-]n4)c3)CC2=O)cn1 ZINC000822684747 606909363 /nfs/dbraw/zinc/90/93/63/606909363.db2.gz GSNFNFAOGCLYJY-UHFFFAOYSA-N -1 3 382.428 0.718 20 0 GCADHM COCCN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821688878 606919285 /nfs/dbraw/zinc/91/92/85/606919285.db2.gz AFMOKKSDXNWPMT-HUUCEWRRSA-N -1 3 381.458 0.036 20 0 GCADHM COCCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821688878 606919286 /nfs/dbraw/zinc/91/92/86/606919286.db2.gz AFMOKKSDXNWPMT-HUUCEWRRSA-N -1 3 381.458 0.036 20 0 GCADHM COC(=O)C[C@@H](C)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821657319 606924332 /nfs/dbraw/zinc/92/43/32/606924332.db2.gz LXUIJWKUAFDIAB-LLVKDONJSA-N -1 3 376.392 0.854 20 0 GCADHM COC(=O)C[C@@H](C)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821657319 606924333 /nfs/dbraw/zinc/92/43/33/606924333.db2.gz LXUIJWKUAFDIAB-LLVKDONJSA-N -1 3 376.392 0.854 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CC[C@H](Oc2ccccn2)C1 ZINC000823202184 606929982 /nfs/dbraw/zinc/92/99/82/606929982.db2.gz SNOURHIDRCJMIO-AWEZNQCLSA-N -1 3 395.427 0.932 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CC[C@H](Oc2ccccn2)C1 ZINC000823202184 606929985 /nfs/dbraw/zinc/92/99/85/606929985.db2.gz SNOURHIDRCJMIO-AWEZNQCLSA-N -1 3 395.427 0.932 20 0 GCADHM CN(C)c1nc(CN2C(=O)N[C@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)ns1 ZINC000821591047 606931053 /nfs/dbraw/zinc/93/10/53/606931053.db2.gz RZDGUJXVTASGOV-MRXNPFEDSA-N -1 3 399.440 0.751 20 0 GCADHM CN(C)c1nc(CN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)ns1 ZINC000821591047 606931054 /nfs/dbraw/zinc/93/10/54/606931054.db2.gz RZDGUJXVTASGOV-MRXNPFEDSA-N -1 3 399.440 0.751 20 0 GCADHM CCc1nnc(N2CCC[C@@H](CS(N)(=O)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821523641 606935272 /nfs/dbraw/zinc/93/52/72/606935272.db2.gz ZOPXYTYINVTGOA-SNVBAGLBSA-N -1 3 380.478 0.286 20 0 GCADHM CCc1nnc(N2CCC[C@@H](CS(N)(=O)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821523641 606935274 /nfs/dbraw/zinc/93/52/74/606935274.db2.gz ZOPXYTYINVTGOA-SNVBAGLBSA-N -1 3 380.478 0.286 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCS(=O)(=O)Cc1cncn1C ZINC000821702586 606940409 /nfs/dbraw/zinc/94/04/09/606940409.db2.gz ZEFRFYUTZLKNRA-UHFFFAOYSA-N -1 3 378.414 0.603 20 0 GCADHM CCc1nnc(N[C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821527895 606941852 /nfs/dbraw/zinc/94/18/52/606941852.db2.gz HTGZCJHPYDMDIF-ZWNOBZJWSA-N -1 3 394.505 0.863 20 0 GCADHM CCc1nnc(N[C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821527895 606941853 /nfs/dbraw/zinc/94/18/53/606941853.db2.gz HTGZCJHPYDMDIF-ZWNOBZJWSA-N -1 3 394.505 0.863 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000822222507 606943230 /nfs/dbraw/zinc/94/32/30/606943230.db2.gz JNVBINVQFAMURJ-STQMWFEESA-N -1 3 376.442 0.607 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000822222507 606943232 /nfs/dbraw/zinc/94/32/32/606943232.db2.gz JNVBINVQFAMURJ-STQMWFEESA-N -1 3 376.442 0.607 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]2CCCC[C@H]2N1 ZINC000823535863 606943937 /nfs/dbraw/zinc/94/39/37/606943937.db2.gz KGTBIEQFTBATPX-CHWSQXEVSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]2CCCC[C@H]2N1 ZINC000823535863 606943939 /nfs/dbraw/zinc/94/39/39/606943939.db2.gz KGTBIEQFTBATPX-CHWSQXEVSA-N -1 3 396.860 0.952 20 0 GCADHM CS(=O)(=O)N1CCC[C@H]1C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821933224 606944750 /nfs/dbraw/zinc/94/47/50/606944750.db2.gz XXWSKGGDQVGYDE-AWEZNQCLSA-N -1 3 395.441 0.603 20 0 GCADHM CS(=O)(=O)N1CCC[C@H]1C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821933224 606944751 /nfs/dbraw/zinc/94/47/51/606944751.db2.gz XXWSKGGDQVGYDE-AWEZNQCLSA-N -1 3 395.441 0.603 20 0 GCADHM Nc1nsc(N2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)n1 ZINC000822912061 606955436 /nfs/dbraw/zinc/95/54/36/606955436.db2.gz KPPIUJSSJRAZJZ-UHFFFAOYSA-N -1 3 393.383 0.541 20 0 GCADHM Nc1nsc(N2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC000822912061 606955437 /nfs/dbraw/zinc/95/54/37/606955437.db2.gz KPPIUJSSJRAZJZ-UHFFFAOYSA-N -1 3 393.383 0.541 20 0 GCADHM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821165107 606958844 /nfs/dbraw/zinc/95/88/44/606958844.db2.gz PHZRBFXYDVRPRQ-GFCCVEGCSA-N -1 3 396.448 0.131 20 0 GCADHM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821165107 606958846 /nfs/dbraw/zinc/95/88/46/606958846.db2.gz PHZRBFXYDVRPRQ-GFCCVEGCSA-N -1 3 396.448 0.131 20 0 GCADHM C[C@@H](CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)CC1(C)OCCO1 ZINC000820259630 606959166 /nfs/dbraw/zinc/95/91/66/606959166.db2.gz ANBCGASBASDBSH-GFCCVEGCSA-N -1 3 390.448 0.762 20 0 GCADHM C[C@@H](CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)CC1(C)OCCO1 ZINC000820259630 606959169 /nfs/dbraw/zinc/95/91/69/606959169.db2.gz ANBCGASBASDBSH-GFCCVEGCSA-N -1 3 390.448 0.762 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCCCC1 ZINC000820446918 606974507 /nfs/dbraw/zinc/97/45/07/606974507.db2.gz XRIVGMYDUKXIEE-LBPRGKRZSA-N -1 3 378.458 0.936 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCCCC1 ZINC000820446918 606974511 /nfs/dbraw/zinc/97/45/11/606974511.db2.gz XRIVGMYDUKXIEE-LBPRGKRZSA-N -1 3 378.458 0.936 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820994492 606975228 /nfs/dbraw/zinc/97/52/28/606975228.db2.gz IVLPPMKDWUESBN-DGCLKSJQSA-N -1 3 395.489 0.763 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820994492 606975230 /nfs/dbraw/zinc/97/52/30/606975230.db2.gz IVLPPMKDWUESBN-DGCLKSJQSA-N -1 3 395.489 0.763 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccccn1 ZINC000820450060 606976384 /nfs/dbraw/zinc/97/63/84/606976384.db2.gz GNPSIOUCOJKAET-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccccn1 ZINC000820450060 606976385 /nfs/dbraw/zinc/97/63/85/606976385.db2.gz GNPSIOUCOJKAET-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H](C)C1 ZINC000820704995 606977013 /nfs/dbraw/zinc/97/70/13/606977013.db2.gz RDVPFITXWCABIT-VXGBXAGGSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](C)C1 ZINC000820704995 606977014 /nfs/dbraw/zinc/97/70/14/606977014.db2.gz RDVPFITXWCABIT-VXGBXAGGSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000820705216 606977234 /nfs/dbraw/zinc/97/72/34/606977234.db2.gz SCSSHYJQDCHKCF-NEPJUHHUSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000820705216 606977235 /nfs/dbraw/zinc/97/72/35/606977235.db2.gz SCSSHYJQDCHKCF-NEPJUHHUSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccco1 ZINC000820449730 606984115 /nfs/dbraw/zinc/98/41/15/606984115.db2.gz BHIDKTPVJAJDGE-NSHDSACASA-N -1 3 390.425 0.485 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccco1 ZINC000820449730 606984116 /nfs/dbraw/zinc/98/41/16/606984116.db2.gz BHIDKTPVJAJDGE-NSHDSACASA-N -1 3 390.425 0.485 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC000820957724 606988690 /nfs/dbraw/zinc/98/86/90/606988690.db2.gz PPVOPZWCJCXQDY-MRXNPFEDSA-N -1 3 376.348 0.770 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC000820957724 606988692 /nfs/dbraw/zinc/98/86/92/606988692.db2.gz PPVOPZWCJCXQDY-MRXNPFEDSA-N -1 3 376.348 0.770 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC(C1CC1)C1CC1 ZINC000820445395 606989004 /nfs/dbraw/zinc/98/90/04/606989004.db2.gz PIBHQRUEIKTZRM-JTQLQIEISA-N -1 3 390.469 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC(C1CC1)C1CC1 ZINC000820445395 606989005 /nfs/dbraw/zinc/98/90/05/606989005.db2.gz PIBHQRUEIKTZRM-JTQLQIEISA-N -1 3 390.469 0.838 20 0 GCADHM O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823161985 606989959 /nfs/dbraw/zinc/98/99/59/606989959.db2.gz QOEJDHRBUHOFSM-CYBMUJFWSA-N -1 3 394.443 0.374 20 0 GCADHM O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823161985 606989961 /nfs/dbraw/zinc/98/99/61/606989961.db2.gz QOEJDHRBUHOFSM-CYBMUJFWSA-N -1 3 394.443 0.374 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000820734354 606993579 /nfs/dbraw/zinc/99/35/79/606993579.db2.gz LXSCFUBYZNHCLQ-IJLUTSLNSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000820734354 606993580 /nfs/dbraw/zinc/99/35/80/606993580.db2.gz LXSCFUBYZNHCLQ-IJLUTSLNSA-N -1 3 394.457 0.169 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCS(=O)(=O)CC1 ZINC000819997067 606994595 /nfs/dbraw/zinc/99/45/95/606994595.db2.gz PGKUFLUINSNPPH-UHFFFAOYSA-N -1 3 379.442 0.718 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCS(=O)(=O)CC1 ZINC000819997067 606994597 /nfs/dbraw/zinc/99/45/97/606994597.db2.gz PGKUFLUINSNPPH-UHFFFAOYSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccsc1 ZINC000820450080 606994996 /nfs/dbraw/zinc/99/49/96/606994996.db2.gz GRRFRUHNFHOMLG-SNVBAGLBSA-N -1 3 392.466 0.911 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccsc1 ZINC000820450080 606994997 /nfs/dbraw/zinc/99/49/97/606994997.db2.gz GRRFRUHNFHOMLG-SNVBAGLBSA-N -1 3 392.466 0.911 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@H](C)C1CC1 ZINC000820437800 606995312 /nfs/dbraw/zinc/99/53/12/606995312.db2.gz CWLOWZTWGUOSQL-GHMZBOCLSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@H](C)C1CC1 ZINC000820437800 606995314 /nfs/dbraw/zinc/99/53/14/606995314.db2.gz CWLOWZTWGUOSQL-GHMZBOCLSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H](C)C1CC1 ZINC000820445479 606995327 /nfs/dbraw/zinc/99/53/27/606995327.db2.gz QLHIOZGFQWCHJK-QWRGUYRKSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H](C)C1CC1 ZINC000820445479 606995328 /nfs/dbraw/zinc/99/53/28/606995328.db2.gz QLHIOZGFQWCHJK-QWRGUYRKSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(=O)NCC(F)(F)F ZINC000819996927 606997825 /nfs/dbraw/zinc/99/78/25/606997825.db2.gz NUJYOIKCKOQYQM-UHFFFAOYSA-N -1 3 386.334 0.819 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)NCC(F)(F)F ZINC000819996927 606997826 /nfs/dbraw/zinc/99/78/26/606997826.db2.gz NUJYOIKCKOQYQM-UHFFFAOYSA-N -1 3 386.334 0.819 20 0 GCADHM Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822323876 606998832 /nfs/dbraw/zinc/99/88/32/606998832.db2.gz PWSRTCBAZFETST-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822323876 606998833 /nfs/dbraw/zinc/99/88/33/606998833.db2.gz PWSRTCBAZFETST-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)C1CCC2(CC1)NC(=O)NC2=O ZINC000823540926 607001513 /nfs/dbraw/zinc/00/15/13/607001513.db2.gz LBANICZCQZWKEK-UHFFFAOYSA-N -1 3 388.359 0.817 20 0 GCADHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)C1CCC2(CC1)NC(=O)NC2=O ZINC000823540926 607001515 /nfs/dbraw/zinc/00/15/15/607001515.db2.gz LBANICZCQZWKEK-UHFFFAOYSA-N -1 3 388.359 0.817 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820467711 607001610 /nfs/dbraw/zinc/00/16/10/607001610.db2.gz MBTPOXDGTWZPEY-ZANVPECISA-N -1 3 379.392 0.961 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820467711 607001611 /nfs/dbraw/zinc/00/16/11/607001611.db2.gz MBTPOXDGTWZPEY-ZANVPECISA-N -1 3 379.392 0.961 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCCCO1 ZINC000820446016 607002127 /nfs/dbraw/zinc/00/21/27/607002127.db2.gz SXRSXURJKYXACK-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCCO1 ZINC000820446016 607002128 /nfs/dbraw/zinc/00/21/28/607002128.db2.gz SXRSXURJKYXACK-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM O=S(=O)(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCOCC1 ZINC000823583284 607003035 /nfs/dbraw/zinc/00/30/35/607003035.db2.gz KSJJOYLVNWXDLM-UHFFFAOYSA-N -1 3 378.336 0.874 20 0 GCADHM O=S(=O)(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCOCC1 ZINC000823583284 607003036 /nfs/dbraw/zinc/00/30/36/607003036.db2.gz KSJJOYLVNWXDLM-UHFFFAOYSA-N -1 3 378.336 0.874 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822492071 607003549 /nfs/dbraw/zinc/00/35/49/607003549.db2.gz QAPDACAITKNZKR-UHFFFAOYSA-N -1 3 399.411 0.455 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822492071 607003551 /nfs/dbraw/zinc/00/35/51/607003551.db2.gz QAPDACAITKNZKR-UHFFFAOYSA-N -1 3 399.411 0.455 20 0 GCADHM O=S(=O)(CC1CCCC1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823557075 607004337 /nfs/dbraw/zinc/00/43/37/607004337.db2.gz FYASUIYQOZHVLW-UHFFFAOYSA-N -1 3 377.474 0.904 20 0 GCADHM O=S(=O)(CC1CCCC1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823557075 607004339 /nfs/dbraw/zinc/00/43/39/607004339.db2.gz FYASUIYQOZHVLW-UHFFFAOYSA-N -1 3 377.474 0.904 20 0 GCADHM Cn1c2nc(Cl)n(Cc3ccc(F)c(-c4nnn[n-]4)c3)c2c(=O)n(C)c1=O ZINC000822589920 607005831 /nfs/dbraw/zinc/00/58/31/607005831.db2.gz DIAGGRALMCXDTM-UHFFFAOYSA-N -1 3 390.766 0.455 20 0 GCADHM Cn1c2nc(Cl)n(Cc3ccc(F)c(-c4nn[n-]n4)c3)c2c(=O)n(C)c1=O ZINC000822589920 607005833 /nfs/dbraw/zinc/00/58/33/607005833.db2.gz DIAGGRALMCXDTM-UHFFFAOYSA-N -1 3 390.766 0.455 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[S@@](C)=O ZINC000820242978 607006391 /nfs/dbraw/zinc/00/63/91/607006391.db2.gz SAWDXJKZUGGEEJ-CWMRNNLJSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[S@@](C)=O ZINC000820242978 607006392 /nfs/dbraw/zinc/00/63/92/607006392.db2.gz SAWDXJKZUGGEEJ-CWMRNNLJSA-N -1 3 377.879 0.956 20 0 GCADHM COCCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821687047 607017207 /nfs/dbraw/zinc/01/72/07/607017207.db2.gz LLVUAOYOWIMZEG-LBPRGKRZSA-N -1 3 396.473 0.466 20 0 GCADHM COCCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821687047 607017209 /nfs/dbraw/zinc/01/72/09/607017209.db2.gz LLVUAOYOWIMZEG-LBPRGKRZSA-N -1 3 396.473 0.466 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000821755185 607017258 /nfs/dbraw/zinc/01/72/58/607017258.db2.gz AJAOQWYLOMBAIZ-SNVBAGLBSA-N -1 3 395.441 0.796 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000821755185 607017259 /nfs/dbraw/zinc/01/72/59/607017259.db2.gz AJAOQWYLOMBAIZ-SNVBAGLBSA-N -1 3 395.441 0.796 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C[C@H]1CCCO1 ZINC000820438315 607019682 /nfs/dbraw/zinc/01/96/82/607019682.db2.gz MTZFQDDXQXKAIJ-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@H]1CCCO1 ZINC000820438315 607019683 /nfs/dbraw/zinc/01/96/83/607019683.db2.gz MTZFQDDXQXKAIJ-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM COCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821685922 607021021 /nfs/dbraw/zinc/02/10/21/607021021.db2.gz VBNLEFBOMAISNB-QWRGUYRKSA-N -1 3 382.446 0.075 20 0 GCADHM COCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821685922 607021022 /nfs/dbraw/zinc/02/10/22/607021022.db2.gz VBNLEFBOMAISNB-QWRGUYRKSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820979430 607021598 /nfs/dbraw/zinc/02/15/98/607021598.db2.gz ICAJLOXWMSZENN-YPMHNXCESA-N -1 3 378.458 0.935 20 0 GCADHM CC[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820979430 607021600 /nfs/dbraw/zinc/02/16/00/607021600.db2.gz ICAJLOXWMSZENN-YPMHNXCESA-N -1 3 378.458 0.935 20 0 GCADHM Cc1ncc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822472304 607022051 /nfs/dbraw/zinc/02/20/51/607022051.db2.gz PWQYNRVZRQHYJE-VIFPVBQESA-N -1 3 388.413 0.271 20 0 GCADHM Cc1ncc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822472304 607022052 /nfs/dbraw/zinc/02/20/52/607022052.db2.gz PWQYNRVZRQHYJE-VIFPVBQESA-N -1 3 388.413 0.271 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCS[C@@H](C)C1 ZINC000820734396 607023102 /nfs/dbraw/zinc/02/31/02/607023102.db2.gz MPJCKNXZQIXRIO-QWRGUYRKSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS[C@@H](C)C1 ZINC000820734396 607023103 /nfs/dbraw/zinc/02/31/03/607023103.db2.gz MPJCKNXZQIXRIO-QWRGUYRKSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC1(C)C ZINC000820451049 607025674 /nfs/dbraw/zinc/02/56/74/607025674.db2.gz RORLFFZEJPYOFK-ZYHUDNBSSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC1(C)C ZINC000820451049 607025676 /nfs/dbraw/zinc/02/56/76/607025676.db2.gz RORLFFZEJPYOFK-ZYHUDNBSSA-N -1 3 378.458 0.696 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000822206864 607026615 /nfs/dbraw/zinc/02/66/15/607026615.db2.gz BMSCSJZAWKDCMY-NSHDSACASA-N -1 3 387.425 0.298 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000822206864 607026616 /nfs/dbraw/zinc/02/66/16/607026616.db2.gz BMSCSJZAWKDCMY-NSHDSACASA-N -1 3 387.425 0.298 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@]3(O)CCCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000822895552 607032437 /nfs/dbraw/zinc/03/24/37/607032437.db2.gz STLYCIKQZAKBFA-BDJLRTHQSA-N -1 3 378.458 0.646 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@]3(O)CCCC[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC000822895552 607032438 /nfs/dbraw/zinc/03/24/38/607032438.db2.gz STLYCIKQZAKBFA-BDJLRTHQSA-N -1 3 378.458 0.646 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000819810772 607037834 /nfs/dbraw/zinc/03/78/34/607037834.db2.gz PQJJRXSCMPTDQG-HNNXBMFYSA-N -1 3 388.428 0.388 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000819810772 607037836 /nfs/dbraw/zinc/03/78/36/607037836.db2.gz PQJJRXSCMPTDQG-HNNXBMFYSA-N -1 3 388.428 0.388 20 0 GCADHM CSC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821956175 607038316 /nfs/dbraw/zinc/03/83/16/607038316.db2.gz IZWBMVLQHUFBKZ-NXEZZACHSA-N -1 3 384.487 0.401 20 0 GCADHM CSC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821956175 607038317 /nfs/dbraw/zinc/03/83/17/607038317.db2.gz IZWBMVLQHUFBKZ-NXEZZACHSA-N -1 3 384.487 0.401 20 0 GCADHM CSC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821956728 607038408 /nfs/dbraw/zinc/03/84/08/607038408.db2.gz WOSAASZFXDXOQY-NXEZZACHSA-N -1 3 384.487 0.401 20 0 GCADHM CSC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821956728 607038410 /nfs/dbraw/zinc/03/84/10/607038410.db2.gz WOSAASZFXDXOQY-NXEZZACHSA-N -1 3 384.487 0.401 20 0 GCADHM CSCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821962028 607040408 /nfs/dbraw/zinc/04/04/08/607040408.db2.gz NUBXDYGYVKJJCO-MNOVXSKESA-N -1 3 398.514 0.791 20 0 GCADHM CSCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821962028 607040410 /nfs/dbraw/zinc/04/04/10/607040410.db2.gz NUBXDYGYVKJJCO-MNOVXSKESA-N -1 3 398.514 0.791 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCSC[C@H]1C ZINC000820438447 607041319 /nfs/dbraw/zinc/04/13/19/607041319.db2.gz PVTFDUTYLSATMA-MNOVXSKESA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCSC[C@H]1C ZINC000820438447 607041320 /nfs/dbraw/zinc/04/13/20/607041320.db2.gz PVTFDUTYLSATMA-MNOVXSKESA-N -1 3 396.498 0.497 20 0 GCADHM CC[C@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820907704 607041930 /nfs/dbraw/zinc/04/19/30/607041930.db2.gz GAYQNPPCGVPYTR-CMPLNLGQSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820907704 607041931 /nfs/dbraw/zinc/04/19/31/607041931.db2.gz GAYQNPPCGVPYTR-CMPLNLGQSA-N -1 3 382.446 0.075 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cn1C ZINC000822453895 607041946 /nfs/dbraw/zinc/04/19/46/607041946.db2.gz PXBYGROVUCVRAM-UHFFFAOYSA-N -1 3 388.457 0.420 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCSC[C@H]1C ZINC000820445378 607042001 /nfs/dbraw/zinc/04/20/01/607042001.db2.gz PCPNHOBCRAHAAL-MNOVXSKESA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCSC[C@H]1C ZINC000820445378 607042003 /nfs/dbraw/zinc/04/20/03/607042003.db2.gz PCPNHOBCRAHAAL-MNOVXSKESA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000820447464 607042497 /nfs/dbraw/zinc/04/24/97/607042497.db2.gz ZETLZQHCUVYQHN-GRYCIOLGSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000820447464 607042498 /nfs/dbraw/zinc/04/24/98/607042498.db2.gz ZETLZQHCUVYQHN-GRYCIOLGSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C[C@H](C)O ZINC000820474318 607042885 /nfs/dbraw/zinc/04/28/85/607042885.db2.gz RFMNXTGPAIGTQD-WOPDTQHZSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C[C@H](C)O ZINC000820474318 607042886 /nfs/dbraw/zinc/04/28/86/607042886.db2.gz RFMNXTGPAIGTQD-WOPDTQHZSA-N -1 3 396.473 0.057 20 0 GCADHM CCc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000821470744 607043132 /nfs/dbraw/zinc/04/31/32/607043132.db2.gz STTRUMYNOHMIGO-SECBINFHSA-N -1 3 391.413 0.723 20 0 GCADHM CCc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000821470744 607043134 /nfs/dbraw/zinc/04/31/34/607043134.db2.gz STTRUMYNOHMIGO-SECBINFHSA-N -1 3 391.413 0.723 20 0 GCADHM COC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821684646 607043453 /nfs/dbraw/zinc/04/34/53/607043453.db2.gz GLOOIONSRNCMIE-NWDGAFQWSA-N -1 3 394.457 0.028 20 0 GCADHM COC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821684646 607043455 /nfs/dbraw/zinc/04/34/55/607043455.db2.gz GLOOIONSRNCMIE-NWDGAFQWSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000820444554 607043972 /nfs/dbraw/zinc/04/39/72/607043972.db2.gz KOZQJSFIRNITAM-GVXVVHGQSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000820444554 607043973 /nfs/dbraw/zinc/04/39/73/607043973.db2.gz KOZQJSFIRNITAM-GVXVVHGQSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@H]1n1ccnc1 ZINC000820727899 607047299 /nfs/dbraw/zinc/04/72/99/607047299.db2.gz QLXZNJDMZYEWCL-IAQYHMDHSA-N -1 3 388.457 0.798 20 0 GCADHM C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820727899 607047300 /nfs/dbraw/zinc/04/73/00/607047300.db2.gz QLXZNJDMZYEWCL-IAQYHMDHSA-N -1 3 388.457 0.798 20 0 GCADHM CNC(=O)Cn1cnc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821634120 607048169 /nfs/dbraw/zinc/04/81/69/607048169.db2.gz SFHFIUMWVJQYNR-UHFFFAOYSA-N -1 3 385.388 0.000 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc[nH]1 ZINC000820444717 607049605 /nfs/dbraw/zinc/04/96/05/607049605.db2.gz LLDKQVBIDBALEM-JTQLQIEISA-N -1 3 375.414 0.178 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc[nH]1 ZINC000820444717 607049606 /nfs/dbraw/zinc/04/96/06/607049606.db2.gz LLDKQVBIDBALEM-JTQLQIEISA-N -1 3 375.414 0.178 20 0 GCADHM Cc1nsc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822534951 607050830 /nfs/dbraw/zinc/05/08/30/607050830.db2.gz DOBHTNJQXZMRBB-SSDOTTSWSA-N -1 3 394.442 0.332 20 0 GCADHM Cc1nsc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822534951 607050831 /nfs/dbraw/zinc/05/08/31/607050831.db2.gz DOBHTNJQXZMRBB-SSDOTTSWSA-N -1 3 394.442 0.332 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000820438575 607051312 /nfs/dbraw/zinc/05/13/12/607051312.db2.gz SGAPDUKMNGHMFW-UTUOFQBUSA-N -1 3 378.458 0.648 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000820438575 607051313 /nfs/dbraw/zinc/05/13/13/607051313.db2.gz SGAPDUKMNGHMFW-UTUOFQBUSA-N -1 3 378.458 0.648 20 0 GCADHM CCC[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821009616 607051640 /nfs/dbraw/zinc/05/16/40/607051640.db2.gz WZIMFCMCKGVXMJ-BZNIZROVSA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821009616 607051642 /nfs/dbraw/zinc/05/16/42/607051642.db2.gz WZIMFCMCKGVXMJ-BZNIZROVSA-N -1 3 396.473 0.201 20 0 GCADHM CCN(CC(C)(C)O)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821170016 607052653 /nfs/dbraw/zinc/05/26/53/607052653.db2.gz LNRDGKVNLQPBHN-NSHDSACASA-N -1 3 396.473 0.153 20 0 GCADHM CCN(CC(C)(C)O)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821170016 607052654 /nfs/dbraw/zinc/05/26/54/607052654.db2.gz LNRDGKVNLQPBHN-NSHDSACASA-N -1 3 396.473 0.153 20 0 GCADHM CCC1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820967685 607052918 /nfs/dbraw/zinc/05/29/18/607052918.db2.gz SWLPNJKDMIQTKN-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM CCC1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820967685 607052921 /nfs/dbraw/zinc/05/29/21/607052921.db2.gz SWLPNJKDMIQTKN-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821675017 607053177 /nfs/dbraw/zinc/05/31/77/607053177.db2.gz BFBPUQAHJVZRTC-RISCZKNCSA-N -1 3 396.473 0.321 20 0 GCADHM CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821675017 607053179 /nfs/dbraw/zinc/05/31/79/607053179.db2.gz BFBPUQAHJVZRTC-RISCZKNCSA-N -1 3 396.473 0.321 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C[C@H]1CCOC1 ZINC000820438785 607054100 /nfs/dbraw/zinc/05/41/00/607054100.db2.gz WQKDYDMFALIJDB-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@H]1CCOC1 ZINC000820438785 607054102 /nfs/dbraw/zinc/05/41/02/607054102.db2.gz WQKDYDMFALIJDB-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM CCC1(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820956534 607054473 /nfs/dbraw/zinc/05/44/73/607054473.db2.gz IYZLBLQYOADGEG-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM CCC1(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820956534 607054474 /nfs/dbraw/zinc/05/44/74/607054474.db2.gz IYZLBLQYOADGEG-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000821727744 607055286 /nfs/dbraw/zinc/05/52/86/607055286.db2.gz NWXROZZXQUBTDV-UHFFFAOYSA-N -1 3 396.411 0.812 20 0 GCADHM COC[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821683663 607055290 /nfs/dbraw/zinc/05/52/90/607055290.db2.gz HGNYPXWJKGCLAZ-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM COC[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821683663 607055292 /nfs/dbraw/zinc/05/52/92/607055292.db2.gz HGNYPXWJKGCLAZ-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000822060160 607062232 /nfs/dbraw/zinc/06/22/32/607062232.db2.gz FXQMYYLMPPAYBK-SECBINFHSA-N -1 3 390.429 0.214 20 0 GCADHM Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000822060160 607062233 /nfs/dbraw/zinc/06/22/33/607062233.db2.gz FXQMYYLMPPAYBK-SECBINFHSA-N -1 3 390.429 0.214 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820995531 607063086 /nfs/dbraw/zinc/06/30/86/607063086.db2.gz TWPRVFPWSFHYTM-GXSJLCMTSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820995531 607063088 /nfs/dbraw/zinc/06/30/88/607063088.db2.gz TWPRVFPWSFHYTM-GXSJLCMTSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820859034 607063093 /nfs/dbraw/zinc/06/30/93/607063093.db2.gz ARWXXNPFHCDRNL-MJVIPROJSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820859034 607063094 /nfs/dbraw/zinc/06/30/94/607063094.db2.gz ARWXXNPFHCDRNL-MJVIPROJSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C2CC2)CC1 ZINC000820446839 607063294 /nfs/dbraw/zinc/06/32/94/607063294.db2.gz XKPSWBVMMMRNSJ-JTQLQIEISA-N -1 3 376.442 0.592 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C2CC2)CC1 ZINC000820446839 607063296 /nfs/dbraw/zinc/06/32/96/607063296.db2.gz XKPSWBVMMMRNSJ-JTQLQIEISA-N -1 3 376.442 0.592 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821284633 607063385 /nfs/dbraw/zinc/06/33/85/607063385.db2.gz GKZBIXABHIAFJG-CYBMUJFWSA-N -1 3 387.444 0.944 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821284633 607063386 /nfs/dbraw/zinc/06/33/86/607063386.db2.gz GKZBIXABHIAFJG-CYBMUJFWSA-N -1 3 387.444 0.944 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[S@](C)=O ZINC000820243108 607064638 /nfs/dbraw/zinc/06/46/38/607064638.db2.gz VQRSTCGIACBXKT-JWNZJDHWSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[S@](C)=O ZINC000820243108 607064639 /nfs/dbraw/zinc/06/46/39/607064639.db2.gz VQRSTCGIACBXKT-JWNZJDHWSA-N -1 3 392.489 0.250 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1=O ZINC000820958787 607071832 /nfs/dbraw/zinc/07/18/32/607071832.db2.gz ZRIBDCSSRIGXPG-MRXNPFEDSA-N -1 3 376.348 0.770 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1=O ZINC000820958787 607071834 /nfs/dbraw/zinc/07/18/34/607071834.db2.gz ZRIBDCSSRIGXPG-MRXNPFEDSA-N -1 3 376.348 0.770 20 0 GCADHM Cn1cc(C=CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000822674235 607077964 /nfs/dbraw/zinc/07/79/64/607077964.db2.gz OIFXBHBNDAEKAZ-ZZXKWVIFSA-N -1 3 386.343 0.160 20 0 GCADHM Cn1cc(C=CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822674235 607077966 /nfs/dbraw/zinc/07/79/66/607077966.db2.gz OIFXBHBNDAEKAZ-ZZXKWVIFSA-N -1 3 386.343 0.160 20 0 GCADHM Cc1cc(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c(=O)n(C)c1 ZINC000822208587 607078841 /nfs/dbraw/zinc/07/88/41/607078841.db2.gz YSYJTIJROKZJBA-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM Cc1cc(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c(=O)n(C)c1 ZINC000822208587 607078842 /nfs/dbraw/zinc/07/88/42/607078842.db2.gz YSYJTIJROKZJBA-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cccnc1 ZINC000820450385 607079460 /nfs/dbraw/zinc/07/94/60/607079460.db2.gz JVYRCBBGLZIDPK-LLVKDONJSA-N -1 3 388.409 0.672 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cccnc1 ZINC000820450385 607079462 /nfs/dbraw/zinc/07/94/62/607079462.db2.gz JVYRCBBGLZIDPK-LLVKDONJSA-N -1 3 388.409 0.672 20 0 GCADHM CCCCOCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821071449 607079512 /nfs/dbraw/zinc/07/95/12/607079512.db2.gz FLRKFUYTOCNIMI-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM CCCCOCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821071449 607079513 /nfs/dbraw/zinc/07/95/13/607079513.db2.gz FLRKFUYTOCNIMI-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM CCCCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821071529 607079995 /nfs/dbraw/zinc/07/99/95/607079995.db2.gz HLDXCZYCVIGXFJ-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM CCCCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821071529 607079996 /nfs/dbraw/zinc/07/99/96/607079996.db2.gz HLDXCZYCVIGXFJ-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCOC1 ZINC000820444305 607080464 /nfs/dbraw/zinc/08/04/64/607080464.db2.gz IHQBPLUUYCQAAG-GHMZBOCLSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCOC1 ZINC000820444305 607080466 /nfs/dbraw/zinc/08/04/66/607080466.db2.gz IHQBPLUUYCQAAG-GHMZBOCLSA-N -1 3 381.414 0.113 20 0 GCADHM Nc1nsc(N2CCN(Cc3cn4ccccc4c3-c3nnn[n-]3)CC2)n1 ZINC000822912066 607081715 /nfs/dbraw/zinc/08/17/15/607081715.db2.gz KQYJBOCTPRBQTQ-UHFFFAOYSA-N -1 3 382.457 0.875 20 0 GCADHM Nc1nsc(N2CCN(Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)n1 ZINC000822912066 607081716 /nfs/dbraw/zinc/08/17/16/607081716.db2.gz KQYJBOCTPRBQTQ-UHFFFAOYSA-N -1 3 382.457 0.875 20 0 GCADHM Cc1onc(-c2ccccn2)c1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000822553546 607084907 /nfs/dbraw/zinc/08/49/07/607084907.db2.gz MHZNNUPGXGKGRW-UHFFFAOYSA-N -1 3 381.356 0.861 20 0 GCADHM Cc1onc(-c2ccccn2)c1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000822553546 607084909 /nfs/dbraw/zinc/08/49/09/607084909.db2.gz MHZNNUPGXGKGRW-UHFFFAOYSA-N -1 3 381.356 0.861 20 0 GCADHM O=C(NC[C@H]1CCCS1(=O)=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823175211 607090320 /nfs/dbraw/zinc/09/03/20/607090320.db2.gz BZYDADGPCRLUIL-HUUCEWRRSA-N -1 3 390.469 0.529 20 0 GCADHM CO[C@@H](C)CCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821673477 607091513 /nfs/dbraw/zinc/09/15/13/607091513.db2.gz CHWUESTWDDHAFK-QWRGUYRKSA-N -1 3 383.430 0.502 20 0 GCADHM CO[C@@H](C)CCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821673477 607091515 /nfs/dbraw/zinc/09/15/15/607091515.db2.gz CHWUESTWDDHAFK-QWRGUYRKSA-N -1 3 383.430 0.502 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC[C@H]1CCCO1 ZINC000820447550 607091901 /nfs/dbraw/zinc/09/19/01/607091901.db2.gz ZPCXZZBCUOUAKZ-DGCLKSJQSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC[C@H]1CCCO1 ZINC000820447550 607091902 /nfs/dbraw/zinc/09/19/02/607091902.db2.gz ZPCXZZBCUOUAKZ-DGCLKSJQSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCOC1 ZINC000820451569 607091907 /nfs/dbraw/zinc/09/19/07/607091907.db2.gz VYVMXCUVOSIRQM-LOWVWBTDSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCOC1 ZINC000820451569 607091908 /nfs/dbraw/zinc/09/19/08/607091908.db2.gz VYVMXCUVOSIRQM-LOWVWBTDSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820804343 607093189 /nfs/dbraw/zinc/09/31/89/607093189.db2.gz QXXDLCSZIUNWFM-WPRPVWTQSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820804343 607093190 /nfs/dbraw/zinc/09/31/90/607093190.db2.gz QXXDLCSZIUNWFM-WPRPVWTQSA-N -1 3 380.792 0.067 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000822215957 607093887 /nfs/dbraw/zinc/09/38/87/607093887.db2.gz AIROPDIWTFERFJ-AWEZNQCLSA-N -1 3 383.412 0.383 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000822215957 607093889 /nfs/dbraw/zinc/09/38/89/607093889.db2.gz AIROPDIWTFERFJ-AWEZNQCLSA-N -1 3 383.412 0.383 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000823331264 607094084 /nfs/dbraw/zinc/09/40/84/607094084.db2.gz DGTQPGBRPJCURB-ZDUSSCGKSA-N -1 3 387.375 0.214 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000823331264 607094086 /nfs/dbraw/zinc/09/40/86/607094086.db2.gz DGTQPGBRPJCURB-ZDUSSCGKSA-N -1 3 387.375 0.214 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[S@@](C)=O ZINC000820242914 607096644 /nfs/dbraw/zinc/09/66/44/607096644.db2.gz RCCRPSCBQUUVEP-HUVZLPTESA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[S@@](C)=O ZINC000820242914 607096646 /nfs/dbraw/zinc/09/66/46/607096646.db2.gz RCCRPSCBQUUVEP-HUVZLPTESA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[S@](C)=O ZINC000820242324 607096707 /nfs/dbraw/zinc/09/67/07/607096707.db2.gz MYVAUTJSTIQTPR-SRENCEJNSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[S@](C)=O ZINC000820242324 607096709 /nfs/dbraw/zinc/09/67/09/607096709.db2.gz MYVAUTJSTIQTPR-SRENCEJNSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[S@](C)=O ZINC000820242159 607098764 /nfs/dbraw/zinc/09/87/64/607098764.db2.gz LHYCRDSSEXXUPF-BLBHWQHRSA-N -1 3 388.457 0.522 20 0 GCADHM C[C@H](CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[S@](C)=O ZINC000820242159 607098766 /nfs/dbraw/zinc/09/87/66/607098766.db2.gz LHYCRDSSEXXUPF-BLBHWQHRSA-N -1 3 388.457 0.522 20 0 GCADHM O=C(Nc1ccncc1I)c1ccc(-c2nnn[n-]2)cn1 ZINC000823375951 607099548 /nfs/dbraw/zinc/09/95/48/607099548.db2.gz RDAZBVXQOUEEQT-UHFFFAOYSA-N -1 3 393.148 0.936 20 0 GCADHM O=C(Nc1ccncc1I)c1ccc(-c2nn[n-]n2)cn1 ZINC000823375951 607099550 /nfs/dbraw/zinc/09/95/50/607099550.db2.gz RDAZBVXQOUEEQT-UHFFFAOYSA-N -1 3 393.148 0.936 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)nc1 ZINC000820445112 607099922 /nfs/dbraw/zinc/09/99/22/607099922.db2.gz NOWDZWOMGJYEJP-SECBINFHSA-N -1 3 391.388 0.706 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)nc1 ZINC000820445112 607099924 /nfs/dbraw/zinc/09/99/24/607099924.db2.gz NOWDZWOMGJYEJP-SECBINFHSA-N -1 3 391.388 0.706 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2)NC(=O)NC1=O ZINC000820606941 607101429 /nfs/dbraw/zinc/10/14/29/607101429.db2.gz GOBNYFVLHSCVAL-UGSOOPFHSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820606941 607101430 /nfs/dbraw/zinc/10/14/30/607101430.db2.gz GOBNYFVLHSCVAL-UGSOOPFHSA-N -1 3 398.427 0.386 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821640489 607108580 /nfs/dbraw/zinc/10/85/80/607108580.db2.gz JLIUZCBFYHJVRR-NSHDSACASA-N -1 3 382.446 0.765 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821640489 607108583 /nfs/dbraw/zinc/10/85/83/607108583.db2.gz JLIUZCBFYHJVRR-NSHDSACASA-N -1 3 382.446 0.765 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000819789557 607111674 /nfs/dbraw/zinc/11/16/74/607111674.db2.gz TZHRAJCWQPAWRD-KXBFYZLASA-N -1 3 398.423 0.774 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000819789557 607111675 /nfs/dbraw/zinc/11/16/75/607111675.db2.gz TZHRAJCWQPAWRD-KXBFYZLASA-N -1 3 398.423 0.774 20 0 GCADHM Cc1ncc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c(N)n1 ZINC000822466851 607113265 /nfs/dbraw/zinc/11/32/65/607113265.db2.gz DECYWKUEESGXSN-UHFFFAOYSA-N -1 3 379.340 0.954 20 0 GCADHM Cc1ncc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c(N)n1 ZINC000822466851 607113266 /nfs/dbraw/zinc/11/32/66/607113266.db2.gz DECYWKUEESGXSN-UHFFFAOYSA-N -1 3 379.340 0.954 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)CN1C(=O)c2ccccc2C1=O ZINC000823022200 607113651 /nfs/dbraw/zinc/11/36/51/607113651.db2.gz AGKFJADMCBEVHJ-UHFFFAOYSA-N -1 3 397.372 0.950 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)CN1C(=O)c2ccccc2C1=O ZINC000823022200 607113653 /nfs/dbraw/zinc/11/36/53/607113653.db2.gz AGKFJADMCBEVHJ-UHFFFAOYSA-N -1 3 397.372 0.950 20 0 GCADHM Cc1cc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822200858 607116404 /nfs/dbraw/zinc/11/64/04/607116404.db2.gz FVMFVDFVRZIAOG-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822200858 607116405 /nfs/dbraw/zinc/11/64/05/607116405.db2.gz FVMFVDFVRZIAOG-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820859183 607116760 /nfs/dbraw/zinc/11/67/60/607116760.db2.gz BXSSYEHJRKVOLA-WDEREUQCSA-N -1 3 395.441 0.692 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820859183 607116762 /nfs/dbraw/zinc/11/67/62/607116762.db2.gz BXSSYEHJRKVOLA-WDEREUQCSA-N -1 3 395.441 0.692 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000823521466 607117224 /nfs/dbraw/zinc/11/72/24/607117224.db2.gz XLMBIBSIAKDVJZ-PSASIEDQSA-N -1 3 377.382 0.530 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000823521466 607117225 /nfs/dbraw/zinc/11/72/25/607117225.db2.gz XLMBIBSIAKDVJZ-PSASIEDQSA-N -1 3 377.382 0.530 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)NC1CCOCC1 ZINC000820001454 607117638 /nfs/dbraw/zinc/11/76/38/607117638.db2.gz NECJFETXEMXCTA-UHFFFAOYSA-N -1 3 389.412 0.863 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)NC1CCOCC1 ZINC000820001454 607117640 /nfs/dbraw/zinc/11/76/40/607117640.db2.gz NECJFETXEMXCTA-UHFFFAOYSA-N -1 3 389.412 0.863 20 0 GCADHM CSCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821962066 607119876 /nfs/dbraw/zinc/11/98/76/607119876.db2.gz OPJGGFKBXPKMSX-JTQLQIEISA-N -1 3 385.471 0.830 20 0 GCADHM CSCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821962066 607119878 /nfs/dbraw/zinc/11/98/78/607119878.db2.gz OPJGGFKBXPKMSX-JTQLQIEISA-N -1 3 385.471 0.830 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCOCC1CC1 ZINC000820450980 607120490 /nfs/dbraw/zinc/12/04/90/607120490.db2.gz QJACVZQBKJZROF-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCOCC1CC1 ZINC000820450980 607120492 /nfs/dbraw/zinc/12/04/92/607120492.db2.gz QJACVZQBKJZROF-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM O=S(=O)(CCN1CCSC[C@@H]1CCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562284 607121542 /nfs/dbraw/zinc/12/15/42/607121542.db2.gz QIIJZFUEADANDD-ZDUSSCGKSA-N -1 3 383.499 0.440 20 0 GCADHM O=S(=O)(CCN1CCSC[C@@H]1CCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562284 607121543 /nfs/dbraw/zinc/12/15/43/607121543.db2.gz QIIJZFUEADANDD-ZDUSSCGKSA-N -1 3 383.499 0.440 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCC(C)(O)CC2)C1=O ZINC000820629650 607122037 /nfs/dbraw/zinc/12/20/37/607122037.db2.gz ZOCHOLYPVOANFQ-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCC(C)(O)CC2)C1=O ZINC000820629650 607122040 /nfs/dbraw/zinc/12/20/40/607122040.db2.gz ZOCHOLYPVOANFQ-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cnn(-c2cccnc2)c1 ZINC000823206523 607123158 /nfs/dbraw/zinc/12/31/58/607123158.db2.gz UCFZHJZYMFLXDL-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cnn(-c2cccnc2)c1 ZINC000823206523 607123159 /nfs/dbraw/zinc/12/31/59/607123159.db2.gz UCFZHJZYMFLXDL-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM C[C@H](C[C@@H]1CCOC1)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820235907 607123898 /nfs/dbraw/zinc/12/38/98/607123898.db2.gz UZQLUIPWBLYACF-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](C[C@@H]1CCOC1)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820235907 607123899 /nfs/dbraw/zinc/12/38/99/607123899.db2.gz UZQLUIPWBLYACF-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735719613 607129652 /nfs/dbraw/zinc/12/96/52/607129652.db2.gz HBCPUHFTDASOPF-NSHDSACASA-N -1 3 394.436 0.738 20 0 GCADHM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735719613 607129654 /nfs/dbraw/zinc/12/96/54/607129654.db2.gz HBCPUHFTDASOPF-NSHDSACASA-N -1 3 394.436 0.738 20 0 GCADHM COC(=O)[C@H](OC(=O)Cn1c(C)cc(O)cc1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648296 607132414 /nfs/dbraw/zinc/13/24/14/607132414.db2.gz GICPKZBWQIHUJL-MRXNPFEDSA-N -1 3 399.363 0.500 20 0 GCADHM COC(=O)[C@H](OC(=O)Cn1c(C)cc(O)cc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648296 607132415 /nfs/dbraw/zinc/13/24/15/607132415.db2.gz GICPKZBWQIHUJL-MRXNPFEDSA-N -1 3 399.363 0.500 20 0 GCADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000820533597 607136060 /nfs/dbraw/zinc/13/60/60/607136060.db2.gz GOQUUAUFXPQVAY-KOLCDFICSA-N -1 3 383.405 0.419 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000820533597 607136062 /nfs/dbraw/zinc/13/60/62/607136062.db2.gz GOQUUAUFXPQVAY-KOLCDFICSA-N -1 3 383.405 0.419 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000821412038 607136688 /nfs/dbraw/zinc/13/66/88/607136688.db2.gz GLZVZNCIBJCSPP-GXFFZTMASA-N -1 3 375.389 0.420 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000821412038 607136689 /nfs/dbraw/zinc/13/66/89/607136689.db2.gz GLZVZNCIBJCSPP-GXFFZTMASA-N -1 3 375.389 0.420 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)O1 ZINC000822859951 607138068 /nfs/dbraw/zinc/13/80/68/607138068.db2.gz KLPBVXLTCOHANQ-KWQFWETISA-N -1 3 397.342 0.623 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)O1 ZINC000822859951 607138069 /nfs/dbraw/zinc/13/80/69/607138069.db2.gz KLPBVXLTCOHANQ-KWQFWETISA-N -1 3 397.342 0.623 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822161807 607138077 /nfs/dbraw/zinc/13/80/77/607138077.db2.gz UMGNFKFJMHWNHO-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822161807 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GCADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccccn2)CC1 ZINC000823567053 607207047 /nfs/dbraw/zinc/20/70/47/607207047.db2.gz NUFGMLQGUSVFCH-UHFFFAOYSA-N -1 3 385.453 0.914 20 0 GCADHM COc1cccc(CN2CCC(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)c1 ZINC000821868671 607209073 /nfs/dbraw/zinc/20/90/73/607209073.db2.gz UOKJDLAIAPQXBY-UHFFFAOYSA-N -1 3 397.443 0.248 20 0 GCADHM O=C(NCCc1cscn1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823223776 607216494 /nfs/dbraw/zinc/21/64/94/607216494.db2.gz IRLAMUYJYIYFCS-UHFFFAOYSA-N -1 3 385.457 0.793 20 0 GCADHM O=C(NCCc1cscn1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823223776 607216495 /nfs/dbraw/zinc/21/64/95/607216495.db2.gz IRLAMUYJYIYFCS-UHFFFAOYSA-N -1 3 385.457 0.793 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCC(C(=O)NCCCO)CC1 ZINC000823192313 607225250 /nfs/dbraw/zinc/22/52/50/607225250.db2.gz WQIAQMZDHOVOJG-UHFFFAOYSA-N -1 3 387.444 0.016 20 0 GCADHM COCCC1(CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821686427 607228733 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O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](CO)C1 ZINC000823497933 607231805 /nfs/dbraw/zinc/23/18/05/607231805.db2.gz BEXUGNPJTAKVMJ-HNNXBMFYSA-N -1 3 385.380 0.872 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821931424 607232724 /nfs/dbraw/zinc/23/27/24/607232724.db2.gz DFVDEBSKJYRQQS-VIFPVBQESA-N -1 3 385.837 0.069 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821931424 607232725 /nfs/dbraw/zinc/23/27/25/607232725.db2.gz DFVDEBSKJYRQQS-VIFPVBQESA-N -1 3 385.837 0.069 20 0 GCADHM O=C(Cn1cc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cn1)NC1CC1 ZINC000823118766 607233768 /nfs/dbraw/zinc/23/37/68/607233768.db2.gz PUYPXUMSEZQKBM-UHFFFAOYSA-N -1 3 387.791 0.643 20 0 GCADHM O=C(Cn1cc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cn1)NC1CC1 ZINC000823118766 607233769 /nfs/dbraw/zinc/23/37/69/607233769.db2.gz PUYPXUMSEZQKBM-UHFFFAOYSA-N -1 3 387.791 0.643 20 0 GCADHM O=C(c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)N1CCO[C@H](CO)C1 ZINC000823488167 607234593 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ZUZWQNGSODNIMH-WPRPVWTQSA-N -1 3 399.864 0.210 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819868591 607236361 /nfs/dbraw/zinc/23/63/61/607236361.db2.gz ZUZWQNGSODNIMH-WPRPVWTQSA-N -1 3 399.864 0.210 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)N1CCOCC1 ZINC000826459656 607772697 /nfs/dbraw/zinc/77/26/97/607772697.db2.gz STCOSOXHKXROLR-UHFFFAOYSA-N -1 3 385.409 0.788 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)N1CCOCC1 ZINC000826459656 607772698 /nfs/dbraw/zinc/77/26/98/607772698.db2.gz STCOSOXHKXROLR-UHFFFAOYSA-N -1 3 385.409 0.788 20 0 GCADHM CCOCCNC(=O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000825600016 607773125 /nfs/dbraw/zinc/77/31/25/607773125.db2.gz WQXJGLBTWHQFHB-UHFFFAOYSA-N -1 3 391.388 0.526 20 0 GCADHM CCOCCNC(=O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000825600016 607773126 /nfs/dbraw/zinc/77/31/26/607773126.db2.gz WQXJGLBTWHQFHB-UHFFFAOYSA-N -1 3 391.388 0.526 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824471227 607773585 /nfs/dbraw/zinc/77/35/85/607773585.db2.gz PSGMRSDIXOXLSO-SNVBAGLBSA-N -1 3 381.400 0.539 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824471227 607773586 /nfs/dbraw/zinc/77/35/86/607773586.db2.gz PSGMRSDIXOXLSO-SNVBAGLBSA-N -1 3 381.400 0.539 20 0 GCADHM Cc1ncc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000826330161 607774070 /nfs/dbraw/zinc/77/40/70/607774070.db2.gz HWRIICPXWCQLSN-QMMMGPOBSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1ncc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000826330161 607774071 /nfs/dbraw/zinc/77/40/71/607774071.db2.gz HWRIICPXWCQLSN-QMMMGPOBSA-N -1 3 393.454 0.937 20 0 GCADHM CCOC(=O)Cc1nnc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825517557 607775034 /nfs/dbraw/zinc/77/50/34/607775034.db2.gz FONOXMGFVBDSNP-UHFFFAOYSA-N -1 3 388.413 0.874 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CCS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000825532867 607780638 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GCADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nnn[n-]1)S(=O)(=O)C1CCOCC1 ZINC000824039845 607787874 /nfs/dbraw/zinc/78/78/74/607787874.db2.gz INHIFAJZMAOENT-NSHDSACASA-N -1 3 379.442 0.812 20 0 GCADHM C[C@@H](C(=O)N(C)c1ccccc1-c1nn[n-]n1)S(=O)(=O)C1CCOCC1 ZINC000824039845 607787875 /nfs/dbraw/zinc/78/78/75/607787875.db2.gz INHIFAJZMAOENT-NSHDSACASA-N -1 3 379.442 0.812 20 0 GCADHM CN(C(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1-c1nnn[n-]1 ZINC000825820753 607790848 /nfs/dbraw/zinc/79/08/48/607790848.db2.gz RIMSPIBORXPCOT-UHFFFAOYSA-N -1 3 377.364 0.945 20 0 GCADHM CN(C(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1-c1nn[n-]n1 ZINC000825820753 607790849 /nfs/dbraw/zinc/79/08/49/607790849.db2.gz RIMSPIBORXPCOT-UHFFFAOYSA-N -1 3 377.364 0.945 20 0 GCADHM C[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824500224 607792785 /nfs/dbraw/zinc/79/27/85/607792785.db2.gz VEDJECLQFORZGJ-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824500224 607792786 /nfs/dbraw/zinc/79/27/86/607792786.db2.gz VEDJECLQFORZGJ-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824796506 607792933 /nfs/dbraw/zinc/79/29/33/607792933.db2.gz PJWNFLIUUFXWPN-CQSZACIVSA-N -1 3 390.469 0.746 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824796506 607792934 /nfs/dbraw/zinc/79/29/34/607792934.db2.gz PJWNFLIUUFXWPN-CQSZACIVSA-N -1 3 390.469 0.746 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223471 607794644 /nfs/dbraw/zinc/79/46/44/607794644.db2.gz NUFXKDIEPVIWAN-CYBMUJFWSA-N -1 3 378.458 0.197 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223471 607794645 /nfs/dbraw/zinc/79/46/45/607794645.db2.gz NUFXKDIEPVIWAN-CYBMUJFWSA-N -1 3 378.458 0.197 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000824744324 607795396 /nfs/dbraw/zinc/79/53/96/607795396.db2.gz AIEJKGKWEGGSQE-VXGBXAGGSA-N -1 3 394.457 0.174 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000824744324 607795397 /nfs/dbraw/zinc/79/53/97/607795397.db2.gz AIEJKGKWEGGSQE-VXGBXAGGSA-N -1 3 394.457 0.174 20 0 GCADHM CCN(CCS(C)(=O)=O)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000825424478 607798746 /nfs/dbraw/zinc/79/87/46/607798746.db2.gz INZYTVGIAZIPKQ-UHFFFAOYSA-N -1 3 383.499 0.993 20 0 GCADHM CCN(CCS(C)(=O)=O)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000825424478 607798747 /nfs/dbraw/zinc/79/87/47/607798747.db2.gz INZYTVGIAZIPKQ-UHFFFAOYSA-N -1 3 383.499 0.993 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824728774 607801834 /nfs/dbraw/zinc/80/18/34/607801834.db2.gz HDHKDGPVIIOBEJ-GFCCVEGCSA-N -1 3 381.458 0.916 20 0 GCADHM CS(=O)(=O)CCN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826222986 607802425 /nfs/dbraw/zinc/80/24/25/607802425.db2.gz WWGHPNZJEMNWDC-UHFFFAOYSA-N -1 3 399.498 0.149 20 0 GCADHM CS(=O)(=O)CCN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826222986 607802426 /nfs/dbraw/zinc/80/24/26/607802426.db2.gz WWGHPNZJEMNWDC-UHFFFAOYSA-N -1 3 399.498 0.149 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000826185468 607803136 /nfs/dbraw/zinc/80/31/36/607803136.db2.gz KWJQDOGTAWVMIV-UHFFFAOYSA-N -1 3 380.430 0.916 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000826185468 607803137 /nfs/dbraw/zinc/80/31/37/607803137.db2.gz KWJQDOGTAWVMIV-UHFFFAOYSA-N -1 3 380.430 0.916 20 0 GCADHM CCS(=O)(=O)NCCCOC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825663731 607803912 /nfs/dbraw/zinc/80/39/12/607803912.db2.gz VEEMROWFQJBXAX-LLVKDONJSA-N -1 3 383.430 0.507 20 0 GCADHM CCS(=O)(=O)NCCCOC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825663731 607803913 /nfs/dbraw/zinc/80/39/13/607803913.db2.gz VEEMROWFQJBXAX-LLVKDONJSA-N -1 3 383.430 0.507 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826411898 607804025 /nfs/dbraw/zinc/80/40/25/607804025.db2.gz RMRDVWWTLALYLA-OAHLLOKOSA-N -1 3 392.423 0.387 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826411898 607804026 /nfs/dbraw/zinc/80/40/26/607804026.db2.gz RMRDVWWTLALYLA-OAHLLOKOSA-N -1 3 392.423 0.387 20 0 GCADHM Cn1c2cccc(NC(=O)C(=O)NCc3cccc(-c4nnn[n-]4)c3)c2oc1=O ZINC000826354774 607804963 /nfs/dbraw/zinc/80/49/63/607804963.db2.gz URBPBFUBYJIQIT-UHFFFAOYSA-N -1 3 393.363 0.567 20 0 GCADHM Cn1c2cccc(NC(=O)C(=O)NCc3cccc(-c4nn[n-]n4)c3)c2oc1=O ZINC000826354774 607804964 /nfs/dbraw/zinc/80/49/64/607804964.db2.gz URBPBFUBYJIQIT-UHFFFAOYSA-N -1 3 393.363 0.567 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)cccc1-c1nnn[n-]1 ZINC000826241123 607805516 /nfs/dbraw/zinc/80/55/16/607805516.db2.gz RZMGJHPHTAMKEG-CYBMUJFWSA-N -1 3 392.423 0.904 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)cccc1-c1nn[n-]n1 ZINC000826241123 607805517 /nfs/dbraw/zinc/80/55/17/607805517.db2.gz RZMGJHPHTAMKEG-CYBMUJFWSA-N -1 3 392.423 0.904 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826452831 607805772 /nfs/dbraw/zinc/80/57/72/607805772.db2.gz KQILDIBYHPLEOH-GFCCVEGCSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826452831 607805773 /nfs/dbraw/zinc/80/57/73/607805773.db2.gz KQILDIBYHPLEOH-GFCCVEGCSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826451883 607806016 /nfs/dbraw/zinc/80/60/16/607806016.db2.gz AJWCUFNRZRJHOE-CQSZACIVSA-N -1 3 378.396 0.595 20 0 GCADHM CS(=O)(=O)CCN(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C1CC1 ZINC000826222734 607806982 /nfs/dbraw/zinc/80/69/82/607806982.db2.gz KJXFSQCHGPKWNE-UHFFFAOYSA-N -1 3 382.421 0.724 20 0 GCADHM CS(=O)(=O)CCN(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC000826222734 607806983 /nfs/dbraw/zinc/80/69/83/607806983.db2.gz KJXFSQCHGPKWNE-UHFFFAOYSA-N -1 3 382.421 0.724 20 0 GCADHM CCS(=O)(=O)NCCCSCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825663887 607807873 /nfs/dbraw/zinc/80/78/73/607807873.db2.gz YTUXIHLSUJSMOG-UHFFFAOYSA-N -1 3 384.487 0.868 20 0 GCADHM CCS(=O)(=O)NCCCSCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825663887 607807874 /nfs/dbraw/zinc/80/78/74/607807874.db2.gz YTUXIHLSUJSMOG-UHFFFAOYSA-N -1 3 384.487 0.868 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCN(c3ccccn3)C2)c(-c2nnn[n-]2)c1 ZINC000826395371 607811100 /nfs/dbraw/zinc/81/11/00/607811100.db2.gz YDZWQQQUOJWARH-LLVKDONJSA-N -1 3 386.441 0.600 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCN(c3ccccn3)C2)c(-c2nn[n-]n2)c1 ZINC000826395371 607811101 /nfs/dbraw/zinc/81/11/01/607811101.db2.gz YDZWQQQUOJWARH-LLVKDONJSA-N -1 3 386.441 0.600 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CCN(c3ccccn3)C2)c(-c2nnn[n-]2)c1 ZINC000826395372 607811329 /nfs/dbraw/zinc/81/13/29/607811329.db2.gz YDZWQQQUOJWARH-NSHDSACASA-N -1 3 386.441 0.600 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CCN(c3ccccn3)C2)c(-c2nn[n-]n2)c1 ZINC000826395372 607811330 /nfs/dbraw/zinc/81/13/30/607811330.db2.gz YDZWQQQUOJWARH-NSHDSACASA-N -1 3 386.441 0.600 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826279152 607812062 /nfs/dbraw/zinc/81/20/62/607812062.db2.gz HMCMYHMWTIYKMC-UHFFFAOYSA-N -1 3 388.457 0.868 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826279152 607812063 /nfs/dbraw/zinc/81/20/63/607812063.db2.gz HMCMYHMWTIYKMC-UHFFFAOYSA-N -1 3 388.457 0.868 20 0 GCADHM O=C1[C@H]2CCCCN2C(=O)N1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826477779 607814726 /nfs/dbraw/zinc/81/47/26/607814726.db2.gz LMNZKQYKFIEDPS-CYBMUJFWSA-N -1 3 390.425 0.457 20 0 GCADHM O=C1[C@H]2CCCCN2C(=O)N1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826477779 607814727 /nfs/dbraw/zinc/81/47/27/607814727.db2.gz LMNZKQYKFIEDPS-CYBMUJFWSA-N -1 3 390.425 0.457 20 0 GCADHM Cn1c2ccccc2n(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1=O ZINC000826354873 607814764 /nfs/dbraw/zinc/81/47/64/607814764.db2.gz YZUZOXWIVWAORF-UHFFFAOYSA-N -1 3 384.421 0.994 20 0 GCADHM Cn1c2ccccc2n(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1=O ZINC000826354873 607814765 /nfs/dbraw/zinc/81/47/65/607814765.db2.gz YZUZOXWIVWAORF-UHFFFAOYSA-N -1 3 384.421 0.994 20 0 GCADHM O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826477642 607814837 /nfs/dbraw/zinc/81/48/37/607814837.db2.gz IHQSFNJLNHVRRB-ZIAGYGMSSA-N -1 3 387.421 0.592 20 0 GCADHM O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826477642 607814838 /nfs/dbraw/zinc/81/48/38/607814838.db2.gz IHQSFNJLNHVRRB-ZIAGYGMSSA-N -1 3 387.421 0.592 20 0 GCADHM COCCn1cnnc1SCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826163716 607814871 /nfs/dbraw/zinc/81/48/71/607814871.db2.gz IAWTVKWCRLWQPG-UHFFFAOYSA-N -1 3 395.470 0.671 20 0 GCADHM COCCn1cnnc1SCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826163716 607814872 /nfs/dbraw/zinc/81/48/72/607814872.db2.gz IAWTVKWCRLWQPG-UHFFFAOYSA-N -1 3 395.470 0.671 20 0 GCADHM O=C1[C@@H]2CCCCN2C(=O)N1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826477780 607814877 /nfs/dbraw/zinc/81/48/77/607814877.db2.gz LMNZKQYKFIEDPS-ZDUSSCGKSA-N -1 3 390.425 0.457 20 0 GCADHM O=C1[C@@H]2CCCCN2C(=O)N1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826477780 607814878 /nfs/dbraw/zinc/81/48/78/607814878.db2.gz LMNZKQYKFIEDPS-ZDUSSCGKSA-N -1 3 390.425 0.457 20 0 GCADHM C[C@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000824707302 607815088 /nfs/dbraw/zinc/81/50/88/607815088.db2.gz POORBSFDUAWUCH-KBPBESRZSA-N -1 3 394.501 0.027 20 0 GCADHM C[C@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000824707302 607815089 /nfs/dbraw/zinc/81/50/89/607815089.db2.gz POORBSFDUAWUCH-KBPBESRZSA-N -1 3 394.501 0.027 20 0 GCADHM C[C@H]1COCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C1 ZINC000825005620 607817648 /nfs/dbraw/zinc/81/76/48/607817648.db2.gz AXYCYXCHFDSDAV-XIKOKIGWSA-N -1 3 385.428 0.560 20 0 GCADHM C[C@H]1COCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000825005620 607817649 /nfs/dbraw/zinc/81/76/49/607817649.db2.gz AXYCYXCHFDSDAV-XIKOKIGWSA-N -1 3 385.428 0.560 20 0 GCADHM C[C@@H]1COCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C1 ZINC000825005619 607817779 /nfs/dbraw/zinc/81/77/79/607817779.db2.gz AXYCYXCHFDSDAV-SGTLLEGYSA-N -1 3 385.428 0.560 20 0 GCADHM C[C@@H]1COCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000825005619 607817780 /nfs/dbraw/zinc/81/77/80/607817780.db2.gz AXYCYXCHFDSDAV-SGTLLEGYSA-N -1 3 385.428 0.560 20 0 GCADHM C[C@H]1COCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C1 ZINC000825005618 607817863 /nfs/dbraw/zinc/81/78/63/607817863.db2.gz AXYCYXCHFDSDAV-KZULUSFZSA-N -1 3 385.428 0.560 20 0 GCADHM C[C@H]1COCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000825005618 607817864 /nfs/dbraw/zinc/81/78/64/607817864.db2.gz AXYCYXCHFDSDAV-KZULUSFZSA-N -1 3 385.428 0.560 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@H](O)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826487703 607818746 /nfs/dbraw/zinc/81/87/46/607818746.db2.gz XHAHNFROVREZSO-HOCLYGCPSA-N -1 3 389.437 0.630 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@H](O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826487703 607818747 /nfs/dbraw/zinc/81/87/47/607818747.db2.gz XHAHNFROVREZSO-HOCLYGCPSA-N -1 3 389.437 0.630 20 0 GCADHM C[C@H](CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000824419687 607823336 /nfs/dbraw/zinc/82/33/36/607823336.db2.gz BNUOPSPGQJTEMV-GFCCVEGCSA-N -1 3 393.473 0.131 20 0 GCADHM C[C@H](CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000824419687 607823337 /nfs/dbraw/zinc/82/33/37/607823337.db2.gz BNUOPSPGQJTEMV-GFCCVEGCSA-N -1 3 393.473 0.131 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000824207346 607825396 /nfs/dbraw/zinc/82/53/96/607825396.db2.gz UZAXUHUQKUXFDC-BXUZGUMPSA-N -1 3 381.458 0.819 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000824207346 607825397 /nfs/dbraw/zinc/82/53/97/607825397.db2.gz UZAXUHUQKUXFDC-BXUZGUMPSA-N -1 3 381.458 0.819 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825839902 607827025 /nfs/dbraw/zinc/82/70/25/607827025.db2.gz KVLSIDUJPFXZHV-CQSZACIVSA-N -1 3 378.458 0.193 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825839902 607827026 /nfs/dbraw/zinc/82/70/26/607827026.db2.gz KVLSIDUJPFXZHV-CQSZACIVSA-N -1 3 378.458 0.193 20 0 GCADHM CCOC(=O)CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825511856 607828170 /nfs/dbraw/zinc/82/81/70/607828170.db2.gz IHXBUUCVDGTXJV-UHFFFAOYSA-N -1 3 381.458 0.914 20 0 GCADHM CCOC(=O)CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825511856 607828171 /nfs/dbraw/zinc/82/81/71/607828171.db2.gz IHXBUUCVDGTXJV-UHFFFAOYSA-N -1 3 381.458 0.914 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826428860 607828258 /nfs/dbraw/zinc/82/82/58/607828258.db2.gz NFTURTZCXXENIK-HNNXBMFYSA-N -1 3 390.469 0.383 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826428860 607828259 /nfs/dbraw/zinc/82/82/59/607828259.db2.gz NFTURTZCXXENIK-HNNXBMFYSA-N -1 3 390.469 0.383 20 0 GCADHM O=S(=O)(CCN1CCN(C2CCC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484928 607828334 /nfs/dbraw/zinc/82/83/34/607828334.db2.gz UTMWLAUKYOLBBF-UHFFFAOYSA-N -1 3 376.486 0.811 20 0 GCADHM O=S(=O)(CCN1CCN(C2CCC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484928 607828335 /nfs/dbraw/zinc/82/83/35/607828335.db2.gz UTMWLAUKYOLBBF-UHFFFAOYSA-N -1 3 376.486 0.811 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824858927 607828812 /nfs/dbraw/zinc/82/88/12/607828812.db2.gz MYTKUUBNXBHBNI-FLXNLOQFSA-N -1 3 383.499 0.482 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824858927 607828813 /nfs/dbraw/zinc/82/88/13/607828813.db2.gz MYTKUUBNXBHBNI-FLXNLOQFSA-N -1 3 383.499 0.482 20 0 GCADHM COCCOC1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826160391 607829185 /nfs/dbraw/zinc/82/91/85/607829185.db2.gz QCXZENDYNOTBKU-UHFFFAOYSA-N -1 3 395.485 0.768 20 0 GCADHM COCCOC1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826160391 607829186 /nfs/dbraw/zinc/82/91/86/607829186.db2.gz QCXZENDYNOTBKU-UHFFFAOYSA-N -1 3 395.485 0.768 20 0 GCADHM COC(=O)[C@]1(F)CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826125020 607829213 /nfs/dbraw/zinc/82/92/13/607829213.db2.gz ZMQHLZGBAWRFQL-HNNXBMFYSA-N -1 3 383.405 0.227 20 0 GCADHM COC(=O)[C@]1(F)CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826125020 607829214 /nfs/dbraw/zinc/82/92/14/607829214.db2.gz ZMQHLZGBAWRFQL-HNNXBMFYSA-N -1 3 383.405 0.227 20 0 GCADHM COC(=O)[C@@H]1CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000826133047 607829978 /nfs/dbraw/zinc/82/99/78/607829978.db2.gz JCQOBAJSDFABRO-SMDDNHRTSA-N -1 3 379.442 0.381 20 0 GCADHM COC(=O)[C@@H]1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000826133047 607829979 /nfs/dbraw/zinc/82/99/79/607829979.db2.gz JCQOBAJSDFABRO-SMDDNHRTSA-N -1 3 379.442 0.381 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000826481041 607830101 /nfs/dbraw/zinc/83/01/01/607830101.db2.gz CZHHXWDMTFPURQ-LSDHHAIUSA-N -1 3 390.469 0.383 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000826481041 607830102 /nfs/dbraw/zinc/83/01/02/607830102.db2.gz CZHHXWDMTFPURQ-LSDHHAIUSA-N -1 3 390.469 0.383 20 0 GCADHM COC(=O)[C@@H](NCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000826111846 607830151 /nfs/dbraw/zinc/83/01/51/607830151.db2.gz NJVILCXKNMYZPB-CYBMUJFWSA-N -1 3 381.458 0.818 20 0 GCADHM COC(=O)[C@@H](NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826111846 607830152 /nfs/dbraw/zinc/83/01/52/607830152.db2.gz NJVILCXKNMYZPB-CYBMUJFWSA-N -1 3 381.458 0.818 20 0 GCADHM O=S(=O)(CCN1CCC(OCCCO)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484624 607830199 /nfs/dbraw/zinc/83/01/99/607830199.db2.gz JQBTVOOXLXIBKG-UHFFFAOYSA-N -1 3 395.485 0.504 20 0 GCADHM O=S(=O)(CCN1CCC(OCCCO)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484624 607830200 /nfs/dbraw/zinc/83/02/00/607830200.db2.gz JQBTVOOXLXIBKG-UHFFFAOYSA-N -1 3 395.485 0.504 20 0 GCADHM CCOC(=O)CCN(C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825511963 607835926 /nfs/dbraw/zinc/83/59/26/607835926.db2.gz NGHNFAAOMXNRCS-UHFFFAOYSA-N -1 3 386.412 0.541 20 0 GCADHM CCOC(=O)CCN(C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825511963 607835927 /nfs/dbraw/zinc/83/59/27/607835927.db2.gz NGHNFAAOMXNRCS-UHFFFAOYSA-N -1 3 386.412 0.541 20 0 GCADHM CCn1nc(C)c(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1C ZINC000825806923 607835991 /nfs/dbraw/zinc/83/59/91/607835991.db2.gz KEQDZNGGFRRXED-UHFFFAOYSA-N -1 3 398.431 0.262 20 0 GCADHM CCn1nc(C)c(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1C ZINC000825806923 607835992 /nfs/dbraw/zinc/83/59/92/607835992.db2.gz KEQDZNGGFRRXED-UHFFFAOYSA-N -1 3 398.431 0.262 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)S(C)(=O)=O ZINC000824420042 607836309 /nfs/dbraw/zinc/83/63/09/607836309.db2.gz FJYIHGYXZHZWPC-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)S(C)(=O)=O ZINC000824420042 607836310 /nfs/dbraw/zinc/83/63/10/607836310.db2.gz FJYIHGYXZHZWPC-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM COCC[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826154759 607836928 /nfs/dbraw/zinc/83/69/28/607836928.db2.gz XDWQEMQNRKOZTE-GHMZBOCLSA-N -1 3 383.430 0.502 20 0 GCADHM COCC[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826154759 607836929 /nfs/dbraw/zinc/83/69/29/607836929.db2.gz XDWQEMQNRKOZTE-GHMZBOCLSA-N -1 3 383.430 0.502 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1-c1nnn[n-]1 ZINC000826198277 607837802 /nfs/dbraw/zinc/83/78/02/607837802.db2.gz SVYXVHIZANLSPY-AWEZNQCLSA-N -1 3 385.428 0.828 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1-c1nn[n-]n1 ZINC000826198277 607837803 /nfs/dbraw/zinc/83/78/03/607837803.db2.gz SVYXVHIZANLSPY-AWEZNQCLSA-N -1 3 385.428 0.828 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@H](C3CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000826394277 607851343 /nfs/dbraw/zinc/85/13/43/607851343.db2.gz DTWQKBNMWYGYEX-GFCCVEGCSA-N -1 3 378.458 0.767 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@H](C3CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000826394277 607851344 /nfs/dbraw/zinc/85/13/44/607851344.db2.gz DTWQKBNMWYGYEX-GFCCVEGCSA-N -1 3 378.458 0.767 20 0 GCADHM O=S(=O)(NC[C@@]1(O)CCOC1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826489957 607853879 /nfs/dbraw/zinc/85/38/79/607853879.db2.gz FPIDDWZBGPQTSQ-LBPRGKRZSA-N -1 3 393.347 0.315 20 0 GCADHM O=S(=O)(NC[C@@]1(O)CCOC1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826489957 607853880 /nfs/dbraw/zinc/85/38/80/607853880.db2.gz FPIDDWZBGPQTSQ-LBPRGKRZSA-N -1 3 393.347 0.315 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000823973556 607854384 /nfs/dbraw/zinc/85/43/84/607854384.db2.gz KQZYJPJWCXNTNQ-CYBMUJFWSA-N -1 3 387.448 0.183 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000823973556 607854385 /nfs/dbraw/zinc/85/43/85/607854385.db2.gz KQZYJPJWCXNTNQ-CYBMUJFWSA-N -1 3 387.448 0.183 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000823973532 607857759 /nfs/dbraw/zinc/85/77/59/607857759.db2.gz KIUYGLZTSNFWIE-AWEZNQCLSA-N -1 3 392.485 0.441 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000823973532 607857760 /nfs/dbraw/zinc/85/77/60/607857760.db2.gz KIUYGLZTSNFWIE-AWEZNQCLSA-N -1 3 392.485 0.441 20 0 GCADHM O=C(CCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)NC1CCCC1 ZINC000826404984 607881547 /nfs/dbraw/zinc/88/15/47/607881547.db2.gz RUCDBJFMIOHZDC-UHFFFAOYSA-N -1 3 398.471 0.749 20 0 GCADHM O=C(CCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)NC1CCCC1 ZINC000826404984 607881548 /nfs/dbraw/zinc/88/15/48/607881548.db2.gz RUCDBJFMIOHZDC-UHFFFAOYSA-N -1 3 398.471 0.749 20 0 GCADHM Cc1cnn(Cc2cc(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)no2)c1 ZINC000826320632 607882069 /nfs/dbraw/zinc/88/20/69/607882069.db2.gz XRSXGTSOELCVIQ-UHFFFAOYSA-N -1 3 394.399 0.645 20 0 GCADHM Cc1cnn(Cc2cc(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)no2)c1 ZINC000826320632 607882070 /nfs/dbraw/zinc/88/20/70/607882070.db2.gz XRSXGTSOELCVIQ-UHFFFAOYSA-N -1 3 394.399 0.645 20 0 GCADHM COCCc1nnc(SCc2cccc(C(=O)OC)c2-c2nnn[n-]2)n1N ZINC000826163329 607893303 /nfs/dbraw/zinc/89/33/03/607893303.db2.gz PHVBFHNHNUGAKF-UHFFFAOYSA-N -1 3 390.429 0.440 20 0 GCADHM COCCc1nnc(SCc2cccc(C(=O)OC)c2-c2nn[n-]n2)n1N ZINC000826163329 607893304 /nfs/dbraw/zinc/89/33/04/607893304.db2.gz PHVBFHNHNUGAKF-UHFFFAOYSA-N -1 3 390.429 0.440 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CCOc2ccccc2-c2nnn[n-]2)C1=O ZINC000825176541 607893841 /nfs/dbraw/zinc/89/38/41/607893841.db2.gz XHUZXSIPLXDOLC-SFHVURJKSA-N -1 3 396.411 0.836 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CCOc2ccccc2-c2nn[n-]n2)C1=O ZINC000825176541 607893842 /nfs/dbraw/zinc/89/38/42/607893842.db2.gz XHUZXSIPLXDOLC-SFHVURJKSA-N -1 3 396.411 0.836 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CCOc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825176158 607894089 /nfs/dbraw/zinc/89/40/89/607894089.db2.gz IIXXCTGMJYEVSK-SFHVURJKSA-N -1 3 396.411 0.836 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CCOc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825176158 607894090 /nfs/dbraw/zinc/89/40/90/607894090.db2.gz IIXXCTGMJYEVSK-SFHVURJKSA-N -1 3 396.411 0.836 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@@]3(CCOC3)C2=O)c1-c1nnn[n-]1 ZINC000826331846 607894239 /nfs/dbraw/zinc/89/42/39/607894239.db2.gz AHWOZUWBLQUNIB-GOSISDBHSA-N -1 3 394.395 0.572 20 0 GCADHM O=S(=O)(NC[C@@H](CO)Cc1ccco1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826489432 607906618 /nfs/dbraw/zinc/90/66/18/607906618.db2.gz PIPDMDPJCMVGLD-JTQLQIEISA-N -1 3 381.389 0.728 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825211407 607907093 /nfs/dbraw/zinc/90/70/93/607907093.db2.gz MNAMNHJBNYBDIR-IUODEOHRSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825211407 607907094 /nfs/dbraw/zinc/90/70/94/607907094.db2.gz MNAMNHJBNYBDIR-IUODEOHRSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825213481 607907144 /nfs/dbraw/zinc/90/71/44/607907144.db2.gz YZNZCPAJRFFHIW-GDBMZVCRSA-N -1 3 392.485 0.933 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825213481 607907145 /nfs/dbraw/zinc/90/71/45/607907145.db2.gz YZNZCPAJRFFHIW-GDBMZVCRSA-N -1 3 392.485 0.933 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)C1CCC1 ZINC000824635161 607912360 /nfs/dbraw/zinc/91/23/60/607912360.db2.gz ZDJNTZOHGHXSNU-QWRGUYRKSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)C1CCC1 ZINC000824635161 607912361 /nfs/dbraw/zinc/91/23/61/607912361.db2.gz ZDJNTZOHGHXSNU-QWRGUYRKSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C1CCC1 ZINC000824640971 607912404 /nfs/dbraw/zinc/91/24/04/607912404.db2.gz QIRQXLPCBAHWJI-QWRGUYRKSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C1CCC1 ZINC000824640971 607912405 /nfs/dbraw/zinc/91/24/05/607912405.db2.gz QIRQXLPCBAHWJI-QWRGUYRKSA-N -1 3 378.458 0.838 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000824171958 607917677 /nfs/dbraw/zinc/91/76/77/607917677.db2.gz HJPMYXCLKVCXIA-UHFFFAOYSA-N -1 3 393.469 0.965 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000824171958 607917678 /nfs/dbraw/zinc/91/76/78/607917678.db2.gz HJPMYXCLKVCXIA-UHFFFAOYSA-N -1 3 393.469 0.965 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000824737067 607918216 /nfs/dbraw/zinc/91/82/16/607918216.db2.gz BNVLFRJCZSYBQE-NSHDSACASA-N -1 3 379.442 0.575 20 0 GCADHM CCn1nc2c(cc1=O)CN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)CC2 ZINC000825806767 607923521 /nfs/dbraw/zinc/92/35/21/607923521.db2.gz CSFIXWSZTLQDRW-UHFFFAOYSA-N -1 3 395.423 0.788 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823982081 607924674 /nfs/dbraw/zinc/92/46/74/607924674.db2.gz VHQBMVMXOVZXNV-OAHLLOKOSA-N -1 3 384.444 0.311 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823982081 607924675 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C[C@@]1(C2CC2)NC(=O)N(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824816970 608054505 /nfs/dbraw/zinc/05/45/05/608054505.db2.gz JUYCTRWINPHSCP-KXBFYZLASA-N -1 3 397.439 0.918 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824816970 608054506 /nfs/dbraw/zinc/05/45/06/608054506.db2.gz JUYCTRWINPHSCP-KXBFYZLASA-N -1 3 397.439 0.918 20 0 GCADHM Cn1ccnc1N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826364750 608055322 /nfs/dbraw/zinc/05/53/22/608055322.db2.gz JKYSAFHHGDLDHW-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM Cn1ccnc1N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826364750 608055323 /nfs/dbraw/zinc/05/53/23/608055323.db2.gz JKYSAFHHGDLDHW-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM CCn1cc(S(=O)(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000825804571 608056416 /nfs/dbraw/zinc/05/64/16/608056416.db2.gz DUROXEMHEROEKT-HNNXBMFYSA-N -1 3 389.441 0.845 20 0 GCADHM CCn1cc(S(=O)(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000825804571 608056417 /nfs/dbraw/zinc/05/64/17/608056417.db2.gz DUROXEMHEROEKT-HNNXBMFYSA-N -1 3 389.441 0.845 20 0 GCADHM COCCOCCS(=O)(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826160661 608056428 /nfs/dbraw/zinc/05/64/28/608056428.db2.gz AKNZWIQWGJVVLY-OAHLLOKOSA-N -1 3 397.457 0.233 20 0 GCADHM COCCOCCS(=O)(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826160661 608056429 /nfs/dbraw/zinc/05/64/29/608056429.db2.gz AKNZWIQWGJVVLY-OAHLLOKOSA-N -1 3 397.457 0.233 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826104246 608057115 /nfs/dbraw/zinc/05/71/15/608057115.db2.gz SNCURPJCGLIYOT-SECBINFHSA-N -1 3 395.775 0.995 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826104246 608057116 /nfs/dbraw/zinc/05/71/16/608057116.db2.gz SNCURPJCGLIYOT-SECBINFHSA-N -1 3 395.775 0.995 20 0 GCADHM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826103289 608057162 /nfs/dbraw/zinc/05/71/62/608057162.db2.gz FTQQOAWEMLCRDU-QMMMGPOBSA-N -1 3 375.357 0.650 20 0 GCADHM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826103289 608057163 /nfs/dbraw/zinc/05/71/63/608057163.db2.gz FTQQOAWEMLCRDU-QMMMGPOBSA-N -1 3 375.357 0.650 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826102940 608057331 /nfs/dbraw/zinc/05/73/31/608057331.db2.gz AWFQZIHEOWBZTC-SECBINFHSA-N -1 3 379.320 0.481 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826102940 608057332 /nfs/dbraw/zinc/05/73/32/608057332.db2.gz AWFQZIHEOWBZTC-SECBINFHSA-N -1 3 379.320 0.481 20 0 GCADHM O=C(NCCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)C1CC1 ZINC000826437585 608061633 /nfs/dbraw/zinc/06/16/33/608061633.db2.gz SDZPMCQAGNGSNG-OAHLLOKOSA-N -1 3 385.428 0.476 20 0 GCADHM O=C(NCCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)C1CC1 ZINC000826437585 608061634 /nfs/dbraw/zinc/06/16/34/608061634.db2.gz SDZPMCQAGNGSNG-OAHLLOKOSA-N -1 3 385.428 0.476 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824448665 608063312 /nfs/dbraw/zinc/06/33/12/608063312.db2.gz JUFZHRPYWIQCNR-SMDDNHRTSA-N -1 3 394.457 0.383 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824448665 608063313 /nfs/dbraw/zinc/06/33/13/608063313.db2.gz JUFZHRPYWIQCNR-SMDDNHRTSA-N -1 3 394.457 0.383 20 0 GCADHM CN1C[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CCC1=O ZINC000826018054 608063431 /nfs/dbraw/zinc/06/34/31/608063431.db2.gz QKOUQLBVHFEBFG-HUUCEWRRSA-N -1 3 385.428 0.570 20 0 GCADHM CN1C[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CCC1=O ZINC000826018054 608063432 /nfs/dbraw/zinc/06/34/32/608063432.db2.gz QKOUQLBVHFEBFG-HUUCEWRRSA-N -1 3 385.428 0.570 20 0 GCADHM CN1CCC[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000826028480 608064426 /nfs/dbraw/zinc/06/44/26/608064426.db2.gz AYFQBLAPFGPQTC-LSDHHAIUSA-N -1 3 385.428 0.570 20 0 GCADHM CN1CCC[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000826028480 608064427 /nfs/dbraw/zinc/06/44/27/608064427.db2.gz AYFQBLAPFGPQTC-LSDHHAIUSA-N -1 3 385.428 0.570 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825992481 608067037 /nfs/dbraw/zinc/06/70/37/608067037.db2.gz YLFSWGSVVKMIBI-KRWDZBQOSA-N -1 3 396.455 0.632 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825992481 608067038 /nfs/dbraw/zinc/06/70/38/608067038.db2.gz YLFSWGSVVKMIBI-KRWDZBQOSA-N -1 3 396.455 0.632 20 0 GCADHM CCS(=O)(=O)NCCCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825663589 608067296 /nfs/dbraw/zinc/06/72/96/608067296.db2.gz RUZAHLUGKJCEQG-HNNXBMFYSA-N -1 3 380.474 0.569 20 0 GCADHM CCS(=O)(=O)NCCCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825663589 608067297 /nfs/dbraw/zinc/06/72/97/608067297.db2.gz RUZAHLUGKJCEQG-HNNXBMFYSA-N -1 3 380.474 0.569 20 0 GCADHM Cn1cc(N2CC[C@@H](N3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)C2=O)cn1 ZINC000826362038 608067436 /nfs/dbraw/zinc/06/74/36/608067436.db2.gz ARGKBQGCTUSZAR-SJORKVTESA-N -1 3 394.439 0.779 20 0 GCADHM Cn1cc(N2CC[C@@H](N3CCO[C@H](c4cccc(-c5nn[n-]n5)c4)C3)C2=O)cn1 ZINC000826362038 608067437 /nfs/dbraw/zinc/06/74/37/608067437.db2.gz ARGKBQGCTUSZAR-SJORKVTESA-N -1 3 394.439 0.779 20 0 GCADHM C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824777911 608068045 /nfs/dbraw/zinc/06/80/45/608068045.db2.gz LECJMDLZWUJSOQ-BXUZGUMPSA-N -1 3 396.459 0.834 20 0 GCADHM C[C@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824777911 608068046 /nfs/dbraw/zinc/06/80/46/608068046.db2.gz LECJMDLZWUJSOQ-BXUZGUMPSA-N -1 3 396.459 0.834 20 0 GCADHM O=C(CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)NCc1ccccn1 ZINC000826411205 608069235 /nfs/dbraw/zinc/06/92/35/608069235.db2.gz OPVDGWIJIAJPBH-QGZVFWFLSA-N -1 3 379.424 0.951 20 0 GCADHM O=C(CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)NCc1ccccn1 ZINC000826411205 608069236 /nfs/dbraw/zinc/06/92/36/608069236.db2.gz OPVDGWIJIAJPBH-QGZVFWFLSA-N -1 3 379.424 0.951 20 0 GCADHM CCCCS(=O)(=O)NCC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825296726 608074328 /nfs/dbraw/zinc/07/43/28/608074328.db2.gz UJVKMODXJHDKMI-UHFFFAOYSA-N -1 3 382.446 0.211 20 0 GCADHM CCCCS(=O)(=O)NCC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825296726 608074329 /nfs/dbraw/zinc/07/43/29/608074329.db2.gz UJVKMODXJHDKMI-UHFFFAOYSA-N -1 3 382.446 0.211 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1c2c(nn1C)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000824469835 608074556 /nfs/dbraw/zinc/07/45/56/608074556.db2.gz CYGLYKLDRUWZPA-JTQLQIEISA-N -1 3 380.412 0.905 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1c2c(nn1C)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824469835 608074557 /nfs/dbraw/zinc/07/45/57/608074557.db2.gz CYGLYKLDRUWZPA-JTQLQIEISA-N -1 3 380.412 0.905 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC000826269538 608074692 /nfs/dbraw/zinc/07/46/92/608074692.db2.gz OXZHESDSIPNFPE-AWEZNQCLSA-N -1 3 396.411 0.447 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC000826269538 608074693 /nfs/dbraw/zinc/07/46/93/608074693.db2.gz OXZHESDSIPNFPE-AWEZNQCLSA-N -1 3 396.411 0.447 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826454792 608075192 /nfs/dbraw/zinc/07/51/92/608075192.db2.gz LLQWAQGSVIBYAE-AWEZNQCLSA-N -1 3 397.370 0.939 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826454792 608075193 /nfs/dbraw/zinc/07/51/93/608075193.db2.gz LLQWAQGSVIBYAE-AWEZNQCLSA-N -1 3 397.370 0.939 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(=O)C(C)(C)C ZINC000824640809 608078713 /nfs/dbraw/zinc/07/87/13/608078713.db2.gz PJVQGQWTPAFAAW-SNVBAGLBSA-N -1 3 394.457 0.265 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(=O)C(C)(C)C ZINC000824640809 608078714 /nfs/dbraw/zinc/07/87/14/608078714.db2.gz PJVQGQWTPAFAAW-SNVBAGLBSA-N -1 3 394.457 0.265 20 0 GCADHM O=C(CCCN1C(=O)CCC1=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826405942 608080410 /nfs/dbraw/zinc/08/04/10/608080410.db2.gz AHEDLLIFTVCPCE-HNNXBMFYSA-N -1 3 398.423 0.696 20 0 GCADHM O=C(CCCN1C(=O)CCC1=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826405942 608080411 /nfs/dbraw/zinc/08/04/11/608080411.db2.gz AHEDLLIFTVCPCE-HNNXBMFYSA-N -1 3 398.423 0.696 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826406896 608082230 /nfs/dbraw/zinc/08/22/30/608082230.db2.gz RUSGSBWUMRIBHZ-CQSZACIVSA-N -1 3 384.396 0.306 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826406896 608082231 /nfs/dbraw/zinc/08/22/31/608082231.db2.gz RUSGSBWUMRIBHZ-CQSZACIVSA-N -1 3 384.396 0.306 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000826429024 608085599 /nfs/dbraw/zinc/08/55/99/608085599.db2.gz RZOZUEVWCIEUOJ-HNNXBMFYSA-N -1 3 382.424 0.825 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000826429024 608085600 /nfs/dbraw/zinc/08/56/00/608085600.db2.gz RZOZUEVWCIEUOJ-HNNXBMFYSA-N -1 3 382.424 0.825 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000826429025 608085729 /nfs/dbraw/zinc/08/57/29/608085729.db2.gz RZOZUEVWCIEUOJ-OAHLLOKOSA-N -1 3 382.424 0.825 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000826429025 608085730 /nfs/dbraw/zinc/08/57/30/608085730.db2.gz RZOZUEVWCIEUOJ-OAHLLOKOSA-N -1 3 382.424 0.825 20 0 GCADHM CCOC(=O)C(C)(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825486804 608096956 /nfs/dbraw/zinc/09/69/56/608096956.db2.gz ZGRUEALOZIWFEB-UHFFFAOYSA-N -1 3 387.444 0.936 20 0 GCADHM CCOC(=O)C(C)(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825486804 608096957 /nfs/dbraw/zinc/09/69/57/608096957.db2.gz ZGRUEALOZIWFEB-UHFFFAOYSA-N -1 3 387.444 0.936 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000826175578 608103333 /nfs/dbraw/zinc/10/33/33/608103333.db2.gz JOUDFPMYSQBJMO-GFCCVEGCSA-N -1 3 389.416 0.304 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000826175578 608103334 /nfs/dbraw/zinc/10/33/34/608103334.db2.gz JOUDFPMYSQBJMO-GFCCVEGCSA-N -1 3 389.416 0.304 20 0 GCADHM CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000825152833 608103671 /nfs/dbraw/zinc/10/36/71/608103671.db2.gz CXBNCUADHLOQKW-BXKDBHETSA-N -1 3 397.413 0.028 20 0 GCADHM CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825152833 608103672 /nfs/dbraw/zinc/10/36/72/608103672.db2.gz CXBNCUADHLOQKW-BXKDBHETSA-N -1 3 397.413 0.028 20 0 GCADHM CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000825153179 608103821 /nfs/dbraw/zinc/10/38/21/608103821.db2.gz HAPYQKLYQGAMAY-CABZTGNLSA-N -1 3 397.413 0.028 20 0 GCADHM CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000825153179 608103822 /nfs/dbraw/zinc/10/38/22/608103822.db2.gz HAPYQKLYQGAMAY-CABZTGNLSA-N -1 3 397.413 0.028 20 0 GCADHM COc1ccc(COC(=O)c2ccc(S(N)(=O)=O)nc2)cc1-c1nnn[n-]1 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ZINC000826301885 608111836 /nfs/dbraw/zinc/11/18/36/608111836.db2.gz SQGYQIFLKDTSSQ-CHWSQXEVSA-N -1 3 390.469 0.854 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826440146 608113488 /nfs/dbraw/zinc/11/34/88/608113488.db2.gz ALESXRNQQGSSNU-GFCCVEGCSA-N -1 3 375.364 0.742 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826440146 608113489 /nfs/dbraw/zinc/11/34/89/608113489.db2.gz ALESXRNQQGSSNU-GFCCVEGCSA-N -1 3 375.364 0.742 20 0 GCADHM O=C(N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C(F)(F)C1(O)CCC1 ZINC000826426115 608114332 /nfs/dbraw/zinc/11/43/32/608114332.db2.gz FWXRGIRPXDQCPT-UHFFFAOYSA-N -1 3 379.371 0.461 20 0 GCADHM O=C(N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C(F)(F)C1(O)CCC1 ZINC000826426115 608114333 /nfs/dbraw/zinc/11/43/33/608114333.db2.gz FWXRGIRPXDQCPT-UHFFFAOYSA-N -1 3 379.371 0.461 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000824745270 608116099 /nfs/dbraw/zinc/11/60/99/608116099.db2.gz 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CCC1(CO)CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CC1 ZINC000825172004 608118457 /nfs/dbraw/zinc/11/84/57/608118457.db2.gz YQRYCGNCZHKFKR-UHFFFAOYSA-N -1 3 388.428 0.825 20 0 GCADHM CCC1(CO)CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000825172004 608118458 /nfs/dbraw/zinc/11/84/58/608118458.db2.gz YQRYCGNCZHKFKR-UHFFFAOYSA-N -1 3 388.428 0.825 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000824632779 608120911 /nfs/dbraw/zinc/12/09/11/608120911.db2.gz DQSMYCUREOXOKW-SMDDNHRTSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000824632779 608120912 /nfs/dbraw/zinc/12/09/12/608120912.db2.gz DQSMYCUREOXOKW-SMDDNHRTSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824450736 608124826 /nfs/dbraw/zinc/12/48/26/608124826.db2.gz ZBAMMEFUJDEIKO-JHNRLJBESA-N -1 3 397.404 0.931 20 0 GCADHM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824450735 608124950 /nfs/dbraw/zinc/12/49/50/608124950.db2.gz ZBAMMEFUJDEIKO-FZTITHCBSA-N -1 3 397.404 0.931 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCOCC2(CCOCC2)C1 ZINC000826495185 608128567 /nfs/dbraw/zinc/12/85/67/608128567.db2.gz GLLXOLJEFSZVAA-UHFFFAOYSA-N -1 3 379.442 0.684 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCOCC2(CCOCC2)C1 ZINC000826495185 608128568 /nfs/dbraw/zinc/12/85/68/608128568.db2.gz GLLXOLJEFSZVAA-UHFFFAOYSA-N -1 3 379.442 0.684 20 0 GCADHM C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824449944 608130215 /nfs/dbraw/zinc/13/02/15/608130215.db2.gz RAQJPCGQBSKWTQ-RYZVSIALSA-N -1 3 377.474 0.465 20 0 GCADHM C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824449944 608130216 /nfs/dbraw/zinc/13/02/16/608130216.db2.gz RAQJPCGQBSKWTQ-RYZVSIALSA-N -1 3 377.474 0.465 20 0 GCADHM CCCS(=O)(=O)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825341355 608137079 /nfs/dbraw/zinc/13/70/79/608137079.db2.gz AOLWLGQUTXABKL-UHFFFAOYSA-N -1 3 383.430 0.655 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(N)=O)cn1 ZINC000826161706 608138341 /nfs/dbraw/zinc/13/83/41/608138341.db2.gz VZIKIJIVTIBQDX-UHFFFAOYSA-N -1 3 383.368 0.638 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc2nnnn2c1 ZINC000826161558 608138821 /nfs/dbraw/zinc/13/88/21/608138821.db2.gz OGDOAMYCVNYEAL-UHFFFAOYSA-N -1 3 381.356 0.582 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000826411857 608139868 /nfs/dbraw/zinc/13/98/68/608139868.db2.gz QKLJXMCRBGJCRL-UHFFFAOYSA-N -1 3 392.379 0.495 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000826411857 608139869 /nfs/dbraw/zinc/13/98/69/608139869.db2.gz QKLJXMCRBGJCRL-UHFFFAOYSA-N -1 3 392.379 0.495 20 0 GCADHM CC[C@@H](CCO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825115328 608140568 /nfs/dbraw/zinc/14/05/68/608140568.db2.gz WNOLWERDCTXNGC-LBPRGKRZSA-N -1 3 392.416 0.108 20 0 GCADHM CC[C@@H](CCO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825115328 608140569 /nfs/dbraw/zinc/14/05/69/608140569.db2.gz WNOLWERDCTXNGC-LBPRGKRZSA-N -1 3 392.416 0.108 20 0 GCADHM COc1c2cnn(C)c2ncc1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000826167102 608141874 /nfs/dbraw/zinc/14/18/74/608141874.db2.gz PPFSXXHMVUEHRJ-UHFFFAOYSA-N -1 3 395.383 0.821 20 0 GCADHM COc1c2cnn(C)c2ncc1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000826167102 608141875 /nfs/dbraw/zinc/14/18/75/608141875.db2.gz PPFSXXHMVUEHRJ-UHFFFAOYSA-N -1 3 395.383 0.821 20 0 GCADHM CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223125 608144866 /nfs/dbraw/zinc/14/48/66/608144866.db2.gz BZHYOVZDTOLKRT-LBPRGKRZSA-N -1 3 379.398 0.017 20 0 GCADHM CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223125 608144867 /nfs/dbraw/zinc/14/48/67/608144867.db2.gz BZHYOVZDTOLKRT-LBPRGKRZSA-N -1 3 379.398 0.017 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000824100751 608145532 /nfs/dbraw/zinc/14/55/32/608145532.db2.gz WZERJLJWCGHMOY-UHFFFAOYSA-N -1 3 389.412 0.800 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000824100751 608145533 /nfs/dbraw/zinc/14/55/33/608145533.db2.gz WZERJLJWCGHMOY-UHFFFAOYSA-N -1 3 389.412 0.800 20 0 GCADHM COc1c2cnn(C)c2ncc1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826166547 608146374 /nfs/dbraw/zinc/14/63/74/608146374.db2.gz PZLQPMFFJKZTNR-UHFFFAOYSA-N -1 3 394.399 0.394 20 0 GCADHM COc1c2cnn(C)c2ncc1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826166547 608146375 /nfs/dbraw/zinc/14/63/75/608146375.db2.gz PZLQPMFFJKZTNR-UHFFFAOYSA-N -1 3 394.399 0.394 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826256231 608158598 /nfs/dbraw/zinc/15/85/98/608158598.db2.gz ZHVBZFLZCQNIQH-XJKSGUPXSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826256231 608158600 /nfs/dbraw/zinc/15/86/00/608158600.db2.gz ZHVBZFLZCQNIQH-XJKSGUPXSA-N -1 3 379.442 0.792 20 0 GCADHM O=S(=O)(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826489623 608159591 /nfs/dbraw/zinc/15/95/91/608159591.db2.gz VZHVDMLQEXGPTF-BMIGLBTASA-N -1 3 383.405 0.622 20 0 GCADHM O=S(=O)(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826489623 608159593 /nfs/dbraw/zinc/15/95/93/608159593.db2.gz VZHVDMLQEXGPTF-BMIGLBTASA-N -1 3 383.405 0.622 20 0 GCADHM O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826488843 608159627 /nfs/dbraw/zinc/15/96/27/608159627.db2.gz AFANLUGJBRAATQ-NHYWBVRUSA-N -1 3 383.405 0.622 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476515 608163258 /nfs/dbraw/zinc/16/32/58/608163258.db2.gz MJRQGWAEXLLFQE-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476515 608163259 /nfs/dbraw/zinc/16/32/59/608163259.db2.gz MJRQGWAEXLLFQE-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H]1C[C@H](CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC000824884794 608164473 /nfs/dbraw/zinc/16/44/73/608164473.db2.gz PKNCDZSWAZAIPG-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H]1C[C@H](CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC000824884794 608164475 /nfs/dbraw/zinc/16/44/75/608164475.db2.gz PKNCDZSWAZAIPG-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825582309 608164571 /nfs/dbraw/zinc/16/45/71/608164571.db2.gz JETYVAIEVSMHRJ-ZDUSSCGKSA-N -1 3 396.835 0.969 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825582309 608164573 /nfs/dbraw/zinc/16/45/73/608164573.db2.gz JETYVAIEVSMHRJ-ZDUSSCGKSA-N -1 3 396.835 0.969 20 0 GCADHM C[C@@H]1C[C@@H](CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC000824884792 608164715 /nfs/dbraw/zinc/16/47/15/608164715.db2.gz PKNCDZSWAZAIPG-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H]1C[C@@H](CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC000824884792 608164717 /nfs/dbraw/zinc/16/47/17/608164717.db2.gz PKNCDZSWAZAIPG-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)Cc3cccc(-c4nnn[n-]4)c3)cc2)c1=O ZINC000826365576 608165327 /nfs/dbraw/zinc/16/53/27/608165327.db2.gz UACNZUVXDZAZMQ-UHFFFAOYSA-N -1 3 376.380 0.932 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)Cc3cccc(-c4nn[n-]n4)c3)cc2)c1=O ZINC000826365576 608165329 /nfs/dbraw/zinc/16/53/29/608165329.db2.gz UACNZUVXDZAZMQ-UHFFFAOYSA-N -1 3 376.380 0.932 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000825897771 608166442 /nfs/dbraw/zinc/16/64/42/608166442.db2.gz NLIJKDRJSACESV-UHFFFAOYSA-N -1 3 396.477 0.138 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000825897771 608166443 /nfs/dbraw/zinc/16/64/43/608166443.db2.gz NLIJKDRJSACESV-UHFFFAOYSA-N -1 3 396.477 0.138 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825583496 608166566 /nfs/dbraw/zinc/16/65/66/608166566.db2.gz UXYQYKMTLFQSJT-LLVKDONJSA-N -1 3 380.405 0.525 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000826418048 608166802 /nfs/dbraw/zinc/16/68/02/608166802.db2.gz POYNMYCUZDOLQJ-DOTOQJQBSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000826418048 608166803 /nfs/dbraw/zinc/16/68/03/608166803.db2.gz POYNMYCUZDOLQJ-DOTOQJQBSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826413355 608166876 /nfs/dbraw/zinc/16/68/76/608166876.db2.gz BRDPPFRQGSYNMR-CABCVRRESA-N -1 3 383.412 0.274 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826413355 608166877 /nfs/dbraw/zinc/16/68/77/608166877.db2.gz BRDPPFRQGSYNMR-CABCVRRESA-N -1 3 383.412 0.274 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000826478504 608167045 /nfs/dbraw/zinc/16/70/45/608167045.db2.gz CNGHAOFVMQLWCV-GXTWGEPZSA-N -1 3 399.459 0.374 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000826478504 608167046 /nfs/dbraw/zinc/16/70/46/608167046.db2.gz CNGHAOFVMQLWCV-GXTWGEPZSA-N -1 3 399.459 0.374 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000825897185 608167890 /nfs/dbraw/zinc/16/78/90/608167890.db2.gz DGVITQUWPUCMIN-UHFFFAOYSA-N -1 3 384.437 0.970 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000825897185 608167892 /nfs/dbraw/zinc/16/78/92/608167892.db2.gz DGVITQUWPUCMIN-UHFFFAOYSA-N -1 3 384.437 0.970 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826175145 608168251 /nfs/dbraw/zinc/16/82/51/608168251.db2.gz UZOFIMPWKFPTRQ-FZKQIMNGSA-N -1 3 389.412 0.708 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826175145 608168252 /nfs/dbraw/zinc/16/82/52/608168252.db2.gz UZOFIMPWKFPTRQ-FZKQIMNGSA-N -1 3 389.412 0.708 20 0 GCADHM O=C1[C@@H](N2CCN3C(=O)OCC[C@H]3C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476668 608168377 /nfs/dbraw/zinc/16/83/77/608168377.db2.gz MHMQCMIIKWLGKW-GJZGRUSLSA-N -1 3 383.412 0.499 20 0 GCADHM O=C1[C@@H](N2CCN3C(=O)OCC[C@H]3C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476668 608168379 /nfs/dbraw/zinc/16/83/79/608168379.db2.gz MHMQCMIIKWLGKW-GJZGRUSLSA-N -1 3 383.412 0.499 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000826479351 608168390 /nfs/dbraw/zinc/16/83/90/608168390.db2.gz WWTFNUFVBKCNQI-ZBFHGGJFSA-N -1 3 399.455 0.946 20 0 GCADHM O=C1CN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CN1Cc1ccccc1 ZINC000826481443 608168674 /nfs/dbraw/zinc/16/86/74/608168674.db2.gz VCOZQZYPUPHGKF-KRWDZBQOSA-N -1 3 394.435 0.908 20 0 GCADHM O=C1CN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CN1Cc1ccccc1 ZINC000826481444 608169146 /nfs/dbraw/zinc/16/91/46/608169146.db2.gz VCOZQZYPUPHGKF-QGZVFWFLSA-N -1 3 394.435 0.908 20 0 GCADHM O=C(CN1CCN2C(=O)OCC[C@@H]2C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826411244 608169848 /nfs/dbraw/zinc/16/98/48/608169848.db2.gz QNWOYIGSUGLUDA-LLVKDONJSA-N -1 3 391.819 0.985 20 0 GCADHM O=C(CN1CCN2C(=O)OCC[C@@H]2C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826411244 608169849 /nfs/dbraw/zinc/16/98/49/608169849.db2.gz QNWOYIGSUGLUDA-LLVKDONJSA-N -1 3 391.819 0.985 20 0 GCADHM O=C1OCC[C@@H]2CN(Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CCN12 ZINC000826483304 608170001 /nfs/dbraw/zinc/17/00/01/608170001.db2.gz JBUNXKZGAHICRT-CYBMUJFWSA-N -1 3 382.384 0.943 20 0 GCADHM O=C1OCC[C@@H]2CN(Cc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)CCN12 ZINC000826483304 608170002 /nfs/dbraw/zinc/17/00/02/608170002.db2.gz JBUNXKZGAHICRT-CYBMUJFWSA-N -1 3 382.384 0.943 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1nc2c(cnn2C)c(=O)[nH]1 ZINC000826158801 608180725 /nfs/dbraw/zinc/18/07/25/608180725.db2.gz DAOKOJLGWBJKHS-UHFFFAOYSA-N -1 3 381.400 0.902 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1nc2c(cnn2C)c(=O)[nH]1 ZINC000826158801 608180727 /nfs/dbraw/zinc/18/07/27/608180727.db2.gz DAOKOJLGWBJKHS-UHFFFAOYSA-N -1 3 381.400 0.902 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](CO)CC(F)(F)F ZINC000826174888 608182574 /nfs/dbraw/zinc/18/25/74/608182574.db2.gz MLOSHNCTSGEWDU-VIFPVBQESA-N -1 3 375.307 0.684 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](CO)CC(F)(F)F ZINC000826174888 608182580 /nfs/dbraw/zinc/18/25/80/608182580.db2.gz MLOSHNCTSGEWDU-VIFPVBQESA-N -1 3 375.307 0.684 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H](CO)CC(F)(F)F)cc1 ZINC000826394947 608183028 /nfs/dbraw/zinc/18/30/28/608183028.db2.gz GBVCXUQFEMRWNV-VIFPVBQESA-N -1 3 396.333 0.678 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H](CO)CC(F)(F)F)cc1 ZINC000826394947 608183029 /nfs/dbraw/zinc/18/30/29/608183029.db2.gz GBVCXUQFEMRWNV-VIFPVBQESA-N -1 3 396.333 0.678 20 0 GCADHM COc1cccc([C@@H](O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000826215511 608185875 /nfs/dbraw/zinc/18/58/75/608185875.db2.gz QZCAFEKRPGXDOY-MRXNPFEDSA-N -1 3 395.423 0.653 20 0 GCADHM COc1cccc([C@@H](O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000826215511 608185877 /nfs/dbraw/zinc/18/58/77/608185877.db2.gz QZCAFEKRPGXDOY-MRXNPFEDSA-N -1 3 395.423 0.653 20 0 GCADHM O=C(N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)C1(O)CCSCC1 ZINC000826426046 608185982 /nfs/dbraw/zinc/18/59/82/608185982.db2.gz CRLXXRFTEQGZPH-UHFFFAOYSA-N -1 3 388.497 0.769 20 0 GCADHM O=C(N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)C1(O)CCSCC1 ZINC000826426046 608185983 /nfs/dbraw/zinc/18/59/83/608185983.db2.gz CRLXXRFTEQGZPH-UHFFFAOYSA-N -1 3 388.497 0.769 20 0 GCADHM COc1cccc([C@H](O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000826215510 608186309 /nfs/dbraw/zinc/18/63/09/608186309.db2.gz QZCAFEKRPGXDOY-INIZCTEOSA-N -1 3 395.423 0.653 20 0 GCADHM COc1cccc([C@H](O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000826215510 608186310 /nfs/dbraw/zinc/18/63/10/608186310.db2.gz QZCAFEKRPGXDOY-INIZCTEOSA-N -1 3 395.423 0.653 20 0 GCADHM CCn1cc(C(=O)C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cn1 ZINC000825799898 608191422 /nfs/dbraw/zinc/19/14/22/608191422.db2.gz WAEPTUMKCFNEKK-UHFFFAOYSA-N -1 3 391.395 0.972 20 0 GCADHM CCn1cc(C(=O)C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cn1 ZINC000825799898 608191423 /nfs/dbraw/zinc/19/14/23/608191423.db2.gz WAEPTUMKCFNEKK-UHFFFAOYSA-N -1 3 391.395 0.972 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cccc1-c1nnn[n-]1 ZINC000826241240 608192147 /nfs/dbraw/zinc/19/21/47/608192147.db2.gz WLJKKCMVHDRGHL-SGTLLEGYSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)cccc1-c1nn[n-]n1 ZINC000826241240 608192149 /nfs/dbraw/zinc/19/21/49/608192149.db2.gz WLJKKCMVHDRGHL-SGTLLEGYSA-N -1 3 386.412 0.568 20 0 GCADHM CC[C@H](C)N(OC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825066973 608193388 /nfs/dbraw/zinc/19/33/88/608193388.db2.gz FXYNWZQHSMGEAC-QWRGUYRKSA-N -1 3 382.446 0.722 20 0 GCADHM CC[C@H](C)N(OC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825066973 608193390 /nfs/dbraw/zinc/19/33/90/608193390.db2.gz FXYNWZQHSMGEAC-QWRGUYRKSA-N -1 3 382.446 0.722 20 0 GCADHM CC[C@@H](C)N(OC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825066970 608193513 /nfs/dbraw/zinc/19/35/13/608193513.db2.gz FXYNWZQHSMGEAC-MNOVXSKESA-N -1 3 382.446 0.722 20 0 GCADHM CC[C@@H](C)N(OC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825066970 608193515 /nfs/dbraw/zinc/19/35/15/608193515.db2.gz FXYNWZQHSMGEAC-MNOVXSKESA-N -1 3 382.446 0.722 20 0 GCADHM CC[C@H](C)N(OC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825066976 608193659 /nfs/dbraw/zinc/19/36/59/608193659.db2.gz FXYNWZQHSMGEAC-WDEREUQCSA-N -1 3 382.446 0.722 20 0 GCADHM CC[C@H](C)N(OC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825066976 608193661 /nfs/dbraw/zinc/19/36/61/608193661.db2.gz FXYNWZQHSMGEAC-WDEREUQCSA-N -1 3 382.446 0.722 20 0 GCADHM O=C(NCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1ccccn1 ZINC000826435854 608196114 /nfs/dbraw/zinc/19/61/14/608196114.db2.gz ZIXXZUHQSVNNED-UHFFFAOYSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NCC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1ccccn1 ZINC000826435854 608196116 /nfs/dbraw/zinc/19/61/16/608196116.db2.gz ZIXXZUHQSVNNED-UHFFFAOYSA-N -1 3 380.412 0.872 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(Cl)[nH]n1 ZINC000824640801 608199554 /nfs/dbraw/zinc/19/95/54/608199554.db2.gz PFJUGNRCYWUPIL-ZETCQYMHSA-N -1 3 396.820 0.549 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826437982 608203342 /nfs/dbraw/zinc/20/33/42/608203342.db2.gz IVFRBGRJISJETE-SUMWQHHRSA-N -1 3 388.432 0.311 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826437982 608203344 /nfs/dbraw/zinc/20/33/44/608203344.db2.gz IVFRBGRJISJETE-SUMWQHHRSA-N -1 3 388.432 0.311 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826438867 608205183 /nfs/dbraw/zinc/20/51/83/608205183.db2.gz UCZFBHLDSQMRMD-KDOFPFPSSA-N -1 3 388.428 0.883 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000825476604 608205987 /nfs/dbraw/zinc/20/59/87/608205987.db2.gz PAVSLHIGRYJHNO-LLVKDONJSA-N -1 3 395.445 0.421 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000825476604 608205988 /nfs/dbraw/zinc/20/59/88/608205988.db2.gz PAVSLHIGRYJHNO-LLVKDONJSA-N -1 3 395.445 0.421 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)Nc2ccnc(CO)c2)cc1 ZINC000826395080 608207071 /nfs/dbraw/zinc/20/70/71/608207071.db2.gz MBNPHJTULLOTNG-UHFFFAOYSA-N -1 3 377.368 0.774 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)Nc2ccnc(CO)c2)cc1 ZINC000826395080 608207072 /nfs/dbraw/zinc/20/70/72/608207072.db2.gz MBNPHJTULLOTNG-UHFFFAOYSA-N -1 3 377.368 0.774 20 0 GCADHM C[C@@H](OC(=O)C1(O)CCSCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824715444 608209049 /nfs/dbraw/zinc/20/90/49/608209049.db2.gz SFCOASFSIZZPND-SNVBAGLBSA-N -1 3 377.426 0.995 20 0 GCADHM C[C@@H](OC(=O)C1(O)CCSCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824715444 608209050 /nfs/dbraw/zinc/20/90/50/608209050.db2.gz SFCOASFSIZZPND-SNVBAGLBSA-N -1 3 377.426 0.995 20 0 GCADHM Cc1ocnc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826342664 608209098 /nfs/dbraw/zinc/20/90/98/608209098.db2.gz VGYPWXJWWOLVMU-VIFPVBQESA-N -1 3 391.413 0.146 20 0 GCADHM Cc1ocnc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826342664 608209100 /nfs/dbraw/zinc/20/91/00/608209100.db2.gz VGYPWXJWWOLVMU-VIFPVBQESA-N -1 3 391.413 0.146 20 0 GCADHM CC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823981034 608209182 /nfs/dbraw/zinc/20/91/82/608209182.db2.gz JTOPVPYZIGYQDI-HZPDHXFCSA-N -1 3 386.412 0.014 20 0 GCADHM CC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823981034 608209184 /nfs/dbraw/zinc/20/91/84/608209184.db2.gz JTOPVPYZIGYQDI-HZPDHXFCSA-N -1 3 386.412 0.014 20 0 GCADHM CC(=O)N1CCOC[C@H]1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823981033 608209251 /nfs/dbraw/zinc/20/92/51/608209251.db2.gz JTOPVPYZIGYQDI-HOTGVXAUSA-N -1 3 386.412 0.014 20 0 GCADHM CC(=O)N1CCOC[C@H]1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823981033 608209253 /nfs/dbraw/zinc/20/92/53/608209253.db2.gz JTOPVPYZIGYQDI-HOTGVXAUSA-N -1 3 386.412 0.014 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000825476403 608210562 /nfs/dbraw/zinc/21/05/62/608210562.db2.gz JAXCSXNEXRVFII-SNVBAGLBSA-N -1 3 399.502 0.270 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476195 608210622 /nfs/dbraw/zinc/21/06/22/608210622.db2.gz BUGFTAJCHLZDHP-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476195 608210623 /nfs/dbraw/zinc/21/06/23/608210623.db2.gz BUGFTAJCHLZDHP-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1ccnc(-n2ccnc2)c1 ZINC000825934647 608211273 /nfs/dbraw/zinc/21/12/73/608211273.db2.gz PIJWKHHLUUXNPX-UHFFFAOYSA-N -1 3 393.415 0.458 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000825476603 608212012 /nfs/dbraw/zinc/21/20/12/608212012.db2.gz PAVABZJIXKPCSL-ZDUSSCGKSA-N -1 3 396.473 0.268 20 0 GCADHM COC(=O)[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000826104011 608213200 /nfs/dbraw/zinc/21/32/00/608213200.db2.gz NRJQKLHNVLUKOO-MRXNPFEDSA-N -1 3 383.364 0.982 20 0 GCADHM COC(=O)[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000826104011 608213202 /nfs/dbraw/zinc/21/32/02/608213202.db2.gz NRJQKLHNVLUKOO-MRXNPFEDSA-N -1 3 383.364 0.982 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCN(Cc2cccnc2)CC1 ZINC000826413620 608217890 /nfs/dbraw/zinc/21/78/90/608217890.db2.gz LTJUETOQXROGAX-UHFFFAOYSA-N -1 3 379.428 0.413 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCN(Cc2cccnc2)CC1 ZINC000826413620 608217892 /nfs/dbraw/zinc/21/78/92/608217892.db2.gz LTJUETOQXROGAX-UHFFFAOYSA-N -1 3 379.428 0.413 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1cccnc1N1CCOCC1 ZINC000826414463 608217980 /nfs/dbraw/zinc/21/79/80/608217980.db2.gz XHCMLPXNDIYTBE-UHFFFAOYSA-N -1 3 395.427 0.222 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1cccnc1N1CCOCC1 ZINC000826414463 608217981 /nfs/dbraw/zinc/21/79/81/608217981.db2.gz XHCMLPXNDIYTBE-UHFFFAOYSA-N -1 3 395.427 0.222 20 0 GCADHM CCNC(=O)c1cccc(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000825476313 608218980 /nfs/dbraw/zinc/21/89/80/608218980.db2.gz FZWDIECEXBJVFL-UHFFFAOYSA-N -1 3 380.412 0.740 20 0 GCADHM CCNC(=O)c1cccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000825476313 608218982 /nfs/dbraw/zinc/21/89/82/608218982.db2.gz FZWDIECEXBJVFL-UHFFFAOYSA-N -1 3 380.412 0.740 20 0 GCADHM COCCOc1ncccc1CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826163275 608220554 /nfs/dbraw/zinc/22/05/54/608220554.db2.gz MTTYWORNQSPBIQ-UHFFFAOYSA-N -1 3 384.400 0.410 20 0 GCADHM COCCOc1ncccc1CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826163275 608220557 /nfs/dbraw/zinc/22/05/57/608220557.db2.gz MTTYWORNQSPBIQ-UHFFFAOYSA-N -1 3 384.400 0.410 20 0 GCADHM CCCC(=O)NC[C@H]1CCCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000825225349 608221046 /nfs/dbraw/zinc/22/10/46/608221046.db2.gz SBDXOCXDHCRVOT-CYBMUJFWSA-N -1 3 386.460 0.829 20 0 GCADHM CCCC(=O)NC[C@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000825225349 608221047 /nfs/dbraw/zinc/22/10/47/608221047.db2.gz SBDXOCXDHCRVOT-CYBMUJFWSA-N -1 3 386.460 0.829 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000826478634 608221344 /nfs/dbraw/zinc/22/13/44/608221344.db2.gz HDCWTGHXRSKUQL-HNNXBMFYSA-N -1 3 392.423 0.763 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000826478634 608221345 /nfs/dbraw/zinc/22/13/45/608221345.db2.gz HDCWTGHXRSKUQL-HNNXBMFYSA-N -1 3 392.423 0.763 20 0 GCADHM Cc1nnnn1-c1cc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)ccc1F ZINC000826337989 608221678 /nfs/dbraw/zinc/22/16/78/608221678.db2.gz HVOHQWOOFNUBKU-UHFFFAOYSA-N -1 3 395.362 0.736 20 0 GCADHM Cc1nnnn1-c1cc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)ccc1F ZINC000826337989 608221679 /nfs/dbraw/zinc/22/16/79/608221679.db2.gz HVOHQWOOFNUBKU-UHFFFAOYSA-N -1 3 395.362 0.736 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000826398803 608222173 /nfs/dbraw/zinc/22/21/73/608222173.db2.gz GHFUKFMKPLDASX-LBPRGKRZSA-N -1 3 388.457 0.198 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000826398803 608222174 /nfs/dbraw/zinc/22/21/74/608222174.db2.gz GHFUKFMKPLDASX-LBPRGKRZSA-N -1 3 388.457 0.198 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000826398802 608222357 /nfs/dbraw/zinc/22/23/57/608222357.db2.gz GHFUKFMKPLDASX-GFCCVEGCSA-N -1 3 388.457 0.198 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000826398802 608222359 /nfs/dbraw/zinc/22/23/59/608222359.db2.gz GHFUKFMKPLDASX-GFCCVEGCSA-N -1 3 388.457 0.198 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCCN(c2cccnn2)CC1 ZINC000826413884 608225456 /nfs/dbraw/zinc/22/54/56/608225456.db2.gz VTMXCUYRODIEJA-UHFFFAOYSA-N -1 3 380.416 0.203 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCCN(c2cccnn2)CC1 ZINC000826413884 608225458 /nfs/dbraw/zinc/22/54/58/608225458.db2.gz VTMXCUYRODIEJA-UHFFFAOYSA-N -1 3 380.416 0.203 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826299989 608226692 /nfs/dbraw/zinc/22/66/92/608226692.db2.gz CVCHYYAVSNBLJM-AWEZNQCLSA-N -1 3 383.412 0.538 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826299989 608226694 /nfs/dbraw/zinc/22/66/94/608226694.db2.gz CVCHYYAVSNBLJM-AWEZNQCLSA-N -1 3 383.412 0.538 20 0 GCADHM O=C(CS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)N1CCOC[C@H]1C1CC1 ZINC000826419891 608227489 /nfs/dbraw/zinc/22/74/89/608227489.db2.gz PMULSICOQAXCMZ-ZDUSSCGKSA-N -1 3 395.416 0.417 20 0 GCADHM O=C(CS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)N1CCOC[C@H]1C1CC1 ZINC000826419891 608227490 /nfs/dbraw/zinc/22/74/90/608227490.db2.gz PMULSICOQAXCMZ-ZDUSSCGKSA-N -1 3 395.416 0.417 20 0 GCADHM O=C(CS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)N1CCOC[C@@H]1C1CC1 ZINC000826419890 608227819 /nfs/dbraw/zinc/22/78/19/608227819.db2.gz PMULSICOQAXCMZ-CYBMUJFWSA-N -1 3 395.416 0.417 20 0 GCADHM O=C(CS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)N1CCOC[C@@H]1C1CC1 ZINC000826419890 608227821 /nfs/dbraw/zinc/22/78/21/608227821.db2.gz PMULSICOQAXCMZ-CYBMUJFWSA-N -1 3 395.416 0.417 20 0 GCADHM CCC[C@H]1C(=O)NCCN1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000825248549 608236148 /nfs/dbraw/zinc/23/61/48/608236148.db2.gz VQJFXEFVPDDLTR-HNNXBMFYSA-N -1 3 381.444 0.992 20 0 GCADHM CCC[C@H]1C(=O)NCCN1Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000825248549 608236151 /nfs/dbraw/zinc/23/61/51/608236151.db2.gz VQJFXEFVPDDLTR-HNNXBMFYSA-N -1 3 381.444 0.992 20 0 GCADHM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825247070 608239569 /nfs/dbraw/zinc/23/95/69/608239569.db2.gz AAFLRWPVLLRRLV-NSHDSACASA-N -1 3 384.849 0.809 20 0 GCADHM Cn1nnnc1CCNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000826366845 608239667 /nfs/dbraw/zinc/23/96/67/608239667.db2.gz AFSQJOLSLLSKBE-UHFFFAOYSA-N -1 3 388.342 0.616 20 0 GCADHM Cn1nnnc1CCNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000826366845 608239668 /nfs/dbraw/zinc/23/96/68/608239668.db2.gz AFSQJOLSLLSKBE-UHFFFAOYSA-N -1 3 388.342 0.616 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826060966 608240836 /nfs/dbraw/zinc/24/08/36/608240836.db2.gz XIXPQFIRAYCZQT-JSGCOSHPSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826060966 608240837 /nfs/dbraw/zinc/24/08/37/608240837.db2.gz XIXPQFIRAYCZQT-JSGCOSHPSA-N -1 3 399.459 0.008 20 0 GCADHM Cn1ccc(CNC(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC000826362953 608241829 /nfs/dbraw/zinc/24/18/29/608241829.db2.gz PNOUNJWEEOFENV-UHFFFAOYSA-N -1 3 385.407 0.771 20 0 GCADHM Cn1ccc(CNC(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC000826362953 608241831 /nfs/dbraw/zinc/24/18/31/608241831.db2.gz PNOUNJWEEOFENV-UHFFFAOYSA-N -1 3 385.407 0.771 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](O)C(F)(F)F ZINC000825133842 608244572 /nfs/dbraw/zinc/24/45/72/608244572.db2.gz QNRKYZMXKOOICF-NXEZZACHSA-N -1 3 390.297 0.762 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](O)C(F)(F)F ZINC000825133842 608244574 /nfs/dbraw/zinc/24/45/74/608244574.db2.gz QNRKYZMXKOOICF-NXEZZACHSA-N -1 3 390.297 0.762 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000826052703 608245176 /nfs/dbraw/zinc/24/51/76/608245176.db2.gz SNCHOMLAHNMRQJ-GXSJLCMTSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000826052703 608245177 /nfs/dbraw/zinc/24/51/77/608245177.db2.gz SNCHOMLAHNMRQJ-GXSJLCMTSA-N -1 3 391.819 0.490 20 0 GCADHM COC[C@@H](O)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000826151999 608245951 /nfs/dbraw/zinc/24/59/51/608245951.db2.gz NXDAHAKYVIHGFM-LBPRGKRZSA-N -1 3 380.474 0.793 20 0 GCADHM COC[C@@H](O)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000826151999 608245952 /nfs/dbraw/zinc/24/59/52/608245952.db2.gz NXDAHAKYVIHGFM-LBPRGKRZSA-N -1 3 380.474 0.793 20 0 GCADHM CN(C1(C(N)=O)CCCC1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825888846 608246895 /nfs/dbraw/zinc/24/68/95/608246895.db2.gz WNYNNWUBQFOUKY-UHFFFAOYSA-N -1 3 382.421 0.566 20 0 GCADHM CN(C1(C(N)=O)CCCC1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825888846 608246896 /nfs/dbraw/zinc/24/68/96/608246896.db2.gz WNYNNWUBQFOUKY-UHFFFAOYSA-N -1 3 382.421 0.566 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826060066 608248579 /nfs/dbraw/zinc/24/85/79/608248579.db2.gz GDGVINKKRAEPHY-OCCSQVGLSA-N -1 3 395.427 0.279 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826060066 608248581 /nfs/dbraw/zinc/24/85/81/608248581.db2.gz GDGVINKKRAEPHY-OCCSQVGLSA-N -1 3 395.427 0.279 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCCNC(=O)C1CCCC1 ZINC000826412202 608252379 /nfs/dbraw/zinc/25/23/79/608252379.db2.gz GFCCNBQGCNOTHW-UHFFFAOYSA-N -1 3 386.412 0.446 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCCNC(=O)C1CCCC1 ZINC000826412202 608252380 /nfs/dbraw/zinc/25/23/80/608252380.db2.gz GFCCNBQGCNOTHW-UHFFFAOYSA-N -1 3 386.412 0.446 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826418335 608253035 /nfs/dbraw/zinc/25/30/35/608253035.db2.gz BGBSWLWCCZOCSZ-HNNXBMFYSA-N -1 3 387.396 0.426 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826418335 608253037 /nfs/dbraw/zinc/25/30/37/608253037.db2.gz BGBSWLWCCZOCSZ-HNNXBMFYSA-N -1 3 387.396 0.426 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCSC1 ZINC000825897521 608254250 /nfs/dbraw/zinc/25/42/50/608254250.db2.gz ILMVMDZRMZUEGR-CYBMUJFWSA-N -1 3 376.442 0.786 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCSC1 ZINC000825897521 608254251 /nfs/dbraw/zinc/25/42/51/608254251.db2.gz ILMVMDZRMZUEGR-CYBMUJFWSA-N -1 3 376.442 0.786 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCSC1 ZINC000825897897 608254417 /nfs/dbraw/zinc/25/44/17/608254417.db2.gz PYVVTNCJQCPXNA-ZDUSSCGKSA-N -1 3 376.442 0.786 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCSC1 ZINC000825897897 608254419 /nfs/dbraw/zinc/25/44/19/608254419.db2.gz PYVVTNCJQCPXNA-ZDUSSCGKSA-N -1 3 376.442 0.786 20 0 GCADHM Nc1ccc(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)nc1Cl ZINC000826395479 608255570 /nfs/dbraw/zinc/25/55/70/608255570.db2.gz DQYMQJVLLYEWHW-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Nc1ccc(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)nc1Cl ZINC000826395479 608255571 /nfs/dbraw/zinc/25/55/71/608255571.db2.gz DQYMQJVLLYEWHW-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825248811 608257986 /nfs/dbraw/zinc/25/79/86/608257986.db2.gz YRZDNOHUBDOXRL-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825248811 608257987 /nfs/dbraw/zinc/25/79/87/608257987.db2.gz YRZDNOHUBDOXRL-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825759957 608264809 /nfs/dbraw/zinc/26/48/09/608264809.db2.gz QHEUTUARQJNWHE-UHFFFAOYSA-N -1 3 384.400 0.426 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825759957 608264810 /nfs/dbraw/zinc/26/48/10/608264810.db2.gz QHEUTUARQJNWHE-UHFFFAOYSA-N -1 3 384.400 0.426 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2OC)C1=O ZINC000825176597 608265779 /nfs/dbraw/zinc/26/57/79/608265779.db2.gz ZHFZRPWSARPHCF-SFHVURJKSA-N -1 3 396.411 0.966 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2OC)C1=O ZINC000825176597 608265780 /nfs/dbraw/zinc/26/57/80/608265780.db2.gz ZHFZRPWSARPHCF-SFHVURJKSA-N -1 3 396.411 0.966 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(C)[C@@H](C)C(N)=O ZINC000826157020 608269788 /nfs/dbraw/zinc/26/97/88/608269788.db2.gz FBVBAGMTRGUCMF-LBPRGKRZSA-N -1 3 392.464 0.066 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN(C)[C@@H](C)C(N)=O ZINC000826157020 608269790 /nfs/dbraw/zinc/26/97/90/608269790.db2.gz FBVBAGMTRGUCMF-LBPRGKRZSA-N -1 3 392.464 0.066 20 0 GCADHM CC(C)(CCCO)CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000824152350 608273244 /nfs/dbraw/zinc/27/32/44/608273244.db2.gz BNISFROFZWBFNW-UHFFFAOYSA-N -1 3 388.476 0.892 20 0 GCADHM CC(C)(CCCO)CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000824152350 608273245 /nfs/dbraw/zinc/27/32/45/608273245.db2.gz BNISFROFZWBFNW-UHFFFAOYSA-N -1 3 388.476 0.892 20 0 GCADHM C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824522341 608274093 /nfs/dbraw/zinc/27/40/93/608274093.db2.gz QWTISYNSQXNLPF-MRVPVSSYSA-N -1 3 390.381 0.821 20 0 GCADHM C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824522341 608274095 /nfs/dbraw/zinc/27/40/95/608274095.db2.gz QWTISYNSQXNLPF-MRVPVSSYSA-N -1 3 390.381 0.821 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccc[nH]1 ZINC000824640225 608276404 /nfs/dbraw/zinc/27/64/04/608276404.db2.gz DGRQRDNQTZYYGN-NSHDSACASA-N -1 3 389.441 0.221 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccc[nH]1 ZINC000824640225 608276405 /nfs/dbraw/zinc/27/64/05/608276405.db2.gz DGRQRDNQTZYYGN-NSHDSACASA-N -1 3 389.441 0.221 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1C(N)=O ZINC000826358191 608277447 /nfs/dbraw/zinc/27/74/47/608277447.db2.gz JTGQIZAGIDPFIR-UHFFFAOYSA-N -1 3 396.411 0.393 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1C(N)=O ZINC000826358191 608277448 /nfs/dbraw/zinc/27/74/48/608277448.db2.gz JTGQIZAGIDPFIR-UHFFFAOYSA-N -1 3 396.411 0.393 20 0 GCADHM NS(=O)(=O)CC1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000826394252 608287541 /nfs/dbraw/zinc/28/75/41/608287541.db2.gz COWNLYYXDXMGGK-UHFFFAOYSA-N -1 3 377.474 0.645 20 0 GCADHM NS(=O)(=O)CC1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000826394252 608287543 /nfs/dbraw/zinc/28/75/43/608287543.db2.gz COWNLYYXDXMGGK-UHFFFAOYSA-N -1 3 377.474 0.645 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCN([C@H]2CCOC2)CC1 ZINC000826485069 608302954 /nfs/dbraw/zinc/30/29/54/608302954.db2.gz AVUBSXQYJGCSMX-AWEZNQCLSA-N -1 3 396.448 0.242 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCN([C@H]2CCOC2)CC1 ZINC000826485069 608302956 /nfs/dbraw/zinc/30/29/56/608302956.db2.gz AVUBSXQYJGCSMX-AWEZNQCLSA-N -1 3 396.448 0.242 20 0 GCADHM Cc1nnc(CS(=O)(=O)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826336131 608305448 /nfs/dbraw/zinc/30/54/48/608305448.db2.gz OENICVFMUKOCGS-NSHDSACASA-N -1 3 396.454 0.381 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN(C)CCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826331940 608312098 /nfs/dbraw/zinc/31/20/98/608312098.db2.gz DYFYSWJQSLKTHX-UHFFFAOYSA-N -1 3 375.458 0.837 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCS(=O)(=O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826332328 608314777 /nfs/dbraw/zinc/31/47/77/608314777.db2.gz QKNKXLLVRBGBHI-GFCCVEGCSA-N -1 3 387.469 0.980 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@](C)(O)C1 ZINC000824319281 608315858 /nfs/dbraw/zinc/31/58/58/608315858.db2.gz KUWASJZWMAHPNY-GOSISDBHSA-N -1 3 388.428 0.966 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@](C)(O)C1 ZINC000824319281 608315860 /nfs/dbraw/zinc/31/58/60/608315860.db2.gz KUWASJZWMAHPNY-GOSISDBHSA-N -1 3 388.428 0.966 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCN3C(=O)OC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826332604 608317383 /nfs/dbraw/zinc/31/73/83/608317383.db2.gz ZFOSSLDJTZECOB-AWEZNQCLSA-N -1 3 380.412 0.997 20 0 GCADHM c1cc(-c2nnn[n-]2)cc(-c2nnc(CN3CCN([C@H]4CCOC4)CC3)o2)c1 ZINC000826512840 608319366 /nfs/dbraw/zinc/31/93/66/608319366.db2.gz QPIPQTNUUGLXTQ-HNNXBMFYSA-N -1 3 382.428 0.823 20 0 GCADHM c1cc(-c2nn[n-]n2)cc(-c2nnc(CN3CCN([C@H]4CCOC4)CC3)o2)c1 ZINC000826512840 608319368 /nfs/dbraw/zinc/31/93/68/608319368.db2.gz QPIPQTNUUGLXTQ-HNNXBMFYSA-N -1 3 382.428 0.823 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)NC(C)(C)C ZINC000824633952 608328371 /nfs/dbraw/zinc/32/83/71/608328371.db2.gz SAKWQYCNUYWPQU-SECBINFHSA-N -1 3 384.437 0.728 20 0 GCADHM O=C(CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)NCC(F)(F)F ZINC000826412132 608328919 /nfs/dbraw/zinc/32/89/19/608328919.db2.gz CHMOVBNIYMJQCU-UHFFFAOYSA-N -1 3 396.326 0.104 20 0 GCADHM CC(=O)NC1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000823989251 608329678 /nfs/dbraw/zinc/32/96/78/608329678.db2.gz QZSQPLXWDUAEDX-UHFFFAOYSA-N -1 3 382.421 0.436 20 0 GCADHM CC(=O)NC1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000823989251 608329680 /nfs/dbraw/zinc/32/96/80/608329680.db2.gz QZSQPLXWDUAEDX-UHFFFAOYSA-N -1 3 382.421 0.436 20 0 GCADHM CC(C)(C)C(=O)NCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824072451 608329778 /nfs/dbraw/zinc/32/97/78/608329778.db2.gz VVUKHRYEIRNDBZ-UHFFFAOYSA-N -1 3 384.437 0.588 20 0 GCADHM CC(C)(C)C(=O)NCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824072451 608329779 /nfs/dbraw/zinc/32/97/79/608329779.db2.gz VVUKHRYEIRNDBZ-UHFFFAOYSA-N -1 3 384.437 0.588 20 0 GCADHM O=C(C[N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)Nc1cccnc1 ZINC000826412086 608330893 /nfs/dbraw/zinc/33/08/93/608330893.db2.gz ATKMZKQMYNIWGL-UHFFFAOYSA-N -1 3 391.388 0.459 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000823989206 608331325 /nfs/dbraw/zinc/33/13/25/608331325.db2.gz PRJSUCNLHFQQTC-UHFFFAOYSA-N -1 3 396.448 0.873 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000823989206 608331326 /nfs/dbraw/zinc/33/13/26/608331326.db2.gz PRJSUCNLHFQQTC-UHFFFAOYSA-N -1 3 396.448 0.873 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NCCOC[C@@H]1CCOC1 ZINC000826485893 608332258 /nfs/dbraw/zinc/33/22/58/608332258.db2.gz HFTSJIXQELLSER-LLVKDONJSA-N -1 3 385.421 0.478 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCOC[C@@H]1CCOC1 ZINC000826485893 608332260 /nfs/dbraw/zinc/33/22/60/608332260.db2.gz HFTSJIXQELLSER-LLVKDONJSA-N -1 3 385.421 0.478 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1nccn1C ZINC000824640199 608332698 /nfs/dbraw/zinc/33/26/98/608332698.db2.gz CPXVNOFHJMRLTD-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1nccn1C ZINC000824640199 608332699 /nfs/dbraw/zinc/33/26/99/608332699.db2.gz CPXVNOFHJMRLTD-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM CCN1CCO[C@@H](CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000825465045 608333019 /nfs/dbraw/zinc/33/30/19/608333019.db2.gz GTTHLEPCOBZOJF-ZDUSSCGKSA-N -1 3 384.437 0.146 20 0 GCADHM COCCOC1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826159985 608333827 /nfs/dbraw/zinc/33/38/27/608333827.db2.gz AGOQIBTYZHYZRV-UHFFFAOYSA-N -1 3 399.448 0.963 20 0 GCADHM COCCOC1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826159985 608333829 /nfs/dbraw/zinc/33/38/29/608333829.db2.gz AGOQIBTYZHYZRV-UHFFFAOYSA-N -1 3 399.448 0.963 20 0 GCADHM C[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824632613 608335569 /nfs/dbraw/zinc/33/55/69/608335569.db2.gz CEEWHWYJKLFWKP-GFCCVEGCSA-N -1 3 394.457 0.601 20 0 GCADHM C[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824632613 608335570 /nfs/dbraw/zinc/33/55/70/608335570.db2.gz CEEWHWYJKLFWKP-GFCCVEGCSA-N -1 3 394.457 0.601 20 0 GCADHM CC[C@H](CO)N1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000825122178 608335846 /nfs/dbraw/zinc/33/58/46/608335846.db2.gz XSYLUIIDLKYCEC-CQSZACIVSA-N -1 3 398.464 0.224 20 0 GCADHM Cc1cnc(N)c(S(=O)(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826319015 608336104 /nfs/dbraw/zinc/33/61/04/608336104.db2.gz KYFIYHOZWQXGMB-UHFFFAOYSA-N -1 3 375.414 0.510 20 0 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COCC(=O)N[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC)C(C)C ZINC000826147701 608359905 /nfs/dbraw/zinc/35/99/05/608359905.db2.gz ILDDYKQUWDIDCS-HNNXBMFYSA-N -1 3 377.401 0.706 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC)C(C)C ZINC000826147701 608359906 /nfs/dbraw/zinc/35/99/06/608359906.db2.gz ILDDYKQUWDIDCS-HNNXBMFYSA-N -1 3 377.401 0.706 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C3OCCO3)C2)c1-c1nnn[n-]1 ZINC000826298927 608360161 /nfs/dbraw/zinc/36/01/61/608360161.db2.gz LEUCUBFAUBMBKF-LBPRGKRZSA-N -1 3 386.412 0.725 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C3OCCO3)C2)c1-c1nn[n-]n1 ZINC000826298927 608360163 /nfs/dbraw/zinc/36/01/63/608360163.db2.gz LEUCUBFAUBMBKF-LBPRGKRZSA-N -1 3 386.412 0.725 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)CC1(C)OCCO1 ZINC000824419637 608360555 /nfs/dbraw/zinc/36/05/55/608360555.db2.gz AXWDUBSJBOZUDI-JTQLQIEISA-N -1 3 392.391 0.850 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)CC1(C)OCCO1 ZINC000824419637 608360557 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394.819 0.723 20 0 GCADHM C[C@]1(CCC(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)CCC(=O)N1 ZINC000824817193 608629529 /nfs/dbraw/zinc/62/95/29/608629529.db2.gz LYWSYNJQIIGFPH-OAHLLOKOSA-N -1 3 378.414 0.859 20 0 GCADHM C[C@]1(CCC(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)CCC(=O)N1 ZINC000824817193 608629534 /nfs/dbraw/zinc/62/95/34/608629534.db2.gz LYWSYNJQIIGFPH-OAHLLOKOSA-N -1 3 378.414 0.859 20 0 GCADHM O=C(CCn1ccnn1)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826410011 608642813 /nfs/dbraw/zinc/64/28/13/608642813.db2.gz YFVITERYCMNQNR-UHFFFAOYSA-N -1 3 383.416 0.750 20 0 GCADHM O=C(CCn1ccnn1)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826410011 608642814 /nfs/dbraw/zinc/64/28/14/608642814.db2.gz YFVITERYCMNQNR-UHFFFAOYSA-N -1 3 383.416 0.750 20 0 GCADHM Cn1c2nc(Cl)n(Cc3cccc(-c4nnn[n-]4)c3F)c2c(=O)n(C)c1=O ZINC000826354417 608669611 /nfs/dbraw/zinc/66/96/11/608669611.db2.gz BYPWAQHLHYMRAR-UHFFFAOYSA-N -1 3 390.766 0.455 20 0 GCADHM Cn1c2nc(Cl)n(Cc3cccc(-c4nn[n-]n4)c3F)c2c(=O)n(C)c1=O ZINC000826354417 608669612 /nfs/dbraw/zinc/66/96/12/608669612.db2.gz BYPWAQHLHYMRAR-UHFFFAOYSA-N -1 3 390.766 0.455 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824984828 608689588 /nfs/dbraw/zinc/68/95/88/608689588.db2.gz OANIFBKEOYSFLM-KGLIPLIRSA-N -1 3 377.518 0.765 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000826186191 608764652 /nfs/dbraw/zinc/76/46/52/608764652.db2.gz IWVPCNLIIKWXEO-UHFFFAOYSA-N -1 3 375.370 0.170 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)nc1 ZINC000826394550 608772486 /nfs/dbraw/zinc/77/24/86/608772486.db2.gz OIZRBDJKWMJIFR-UHFFFAOYSA-N -1 3 390.381 0.145 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)nc1 ZINC000826394550 608772491 /nfs/dbraw/zinc/77/24/91/608772491.db2.gz OIZRBDJKWMJIFR-UHFFFAOYSA-N -1 3 390.381 0.145 20 0 GCADHM O=S(=O)(C1CCOCC1)N1CCC(Nc2cnccc2-c2nnn[n-]2)CC1 ZINC000826484072 608787475 /nfs/dbraw/zinc/78/74/75/608787475.db2.gz MTLPSUZWDYEFKZ-UHFFFAOYSA-N -1 3 393.473 0.647 20 0 GCADHM O=S(=O)(C1CCOCC1)N1CCC(Nc2cnccc2-c2nn[n-]n2)CC1 ZINC000826484072 608787478 /nfs/dbraw/zinc/78/74/78/608787478.db2.gz MTLPSUZWDYEFKZ-UHFFFAOYSA-N -1 3 393.473 0.647 20 0 GCADHM NC(=O)[C@@H]1COCCN1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826390803 608807319 /nfs/dbraw/zinc/80/73/19/608807319.db2.gz MKLQCSVZXNTOOJ-LBPRGKRZSA-N -1 3 379.808 0.035 20 0 GCADHM NC(=O)[C@@H]1COCCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826390803 608807322 /nfs/dbraw/zinc/80/73/22/608807322.db2.gz MKLQCSVZXNTOOJ-LBPRGKRZSA-N -1 3 379.808 0.035 20 0 GCADHM COCCOc1ncccc1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000826163345 608819651 /nfs/dbraw/zinc/81/96/51/608819651.db2.gz PVLQUVBDHKNENE-UHFFFAOYSA-N -1 3 385.384 0.951 20 0 GCADHM COCCOc1ncccc1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000826163345 608819655 /nfs/dbraw/zinc/81/96/55/608819655.db2.gz PVLQUVBDHKNENE-UHFFFAOYSA-N -1 3 385.384 0.951 20 0 GCADHM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826482252 608824028 /nfs/dbraw/zinc/82/40/28/608824028.db2.gz XQALQXMLPQFRJC-AWEZNQCLSA-N -1 3 377.364 0.870 20 0 GCADHM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826482252 608824031 /nfs/dbraw/zinc/82/40/31/608824031.db2.gz XQALQXMLPQFRJC-AWEZNQCLSA-N -1 3 377.364 0.870 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000824882541 608825623 /nfs/dbraw/zinc/82/56/23/608825623.db2.gz BOKCIHWBGOTENY-MDZLAQPJSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000824882541 608825625 /nfs/dbraw/zinc/82/56/25/608825625.db2.gz BOKCIHWBGOTENY-MDZLAQPJSA-N -1 3 394.457 0.217 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)CCNC(=O)N(C)C)c(-c2nnn[n-]2)c1C ZINC000826340826 608828822 /nfs/dbraw/zinc/82/88/22/608828822.db2.gz MIVLAZUJCOBMFV-SNVBAGLBSA-N -1 3 378.437 0.607 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)CCNC(=O)N(C)C)c(-c2nn[n-]n2)c1C ZINC000826340826 608828825 /nfs/dbraw/zinc/82/88/25/608828825.db2.gz MIVLAZUJCOBMFV-SNVBAGLBSA-N -1 3 378.437 0.607 20 0 GCADHM Nc1nsc(N2CCN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)n1 ZINC000826396937 608835977 /nfs/dbraw/zinc/83/59/77/608835977.db2.gz OWCMFOVMDFZERR-UHFFFAOYSA-N -1 3 383.445 0.270 20 0 GCADHM Nc1nsc(N2CCN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)n1 ZINC000826396937 608835981 /nfs/dbraw/zinc/83/59/81/608835981.db2.gz OWCMFOVMDFZERR-UHFFFAOYSA-N -1 3 383.445 0.270 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000826157233 608848533 /nfs/dbraw/zinc/84/85/33/608848533.db2.gz MGCXBULQXASVPE-UHFFFAOYSA-N -1 3 386.503 0.412 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000826157233 608848535 /nfs/dbraw/zinc/84/85/35/608848535.db2.gz MGCXBULQXASVPE-UHFFFAOYSA-N -1 3 386.503 0.412 20 0 GCADHM O=C(C=c1[nH]c(=O)c(=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1)c1ccco1 ZINC000826403572 608878469 /nfs/dbraw/zinc/87/84/69/608878469.db2.gz WFXOLYUPCDWCHF-UHFFFAOYSA-N -1 3 383.364 0.841 20 0 GCADHM O=C(C=c1[nH]c(=O)c(=Cc2ccc(F)c(-c3nn[n-]n3)c2)s1)c1ccco1 ZINC000826403572 608878474 /nfs/dbraw/zinc/87/84/74/608878474.db2.gz WFXOLYUPCDWCHF-UHFFFAOYSA-N -1 3 383.364 0.841 20 0 GCADHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)C2CCOCC2)C1=O ZINC000824843822 608884678 /nfs/dbraw/zinc/88/46/78/608884678.db2.gz KYFLQMILMFHNSS-GOSISDBHSA-N -1 3 384.396 0.629 20 0 GCADHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)C2CCOCC2)C1=O ZINC000824843822 608884683 /nfs/dbraw/zinc/88/46/83/608884683.db2.gz KYFLQMILMFHNSS-GOSISDBHSA-N -1 3 384.396 0.629 20 0 GCADHM O=C(C=Cc1cnccn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826402983 609133016 /nfs/dbraw/zinc/13/30/16/609133016.db2.gz HEGMYEURGDPHOL-SBSDFTTDSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(C=Cc1cnccn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826402983 609133018 /nfs/dbraw/zinc/13/30/18/609133018.db2.gz HEGMYEURGDPHOL-SBSDFTTDSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(CN1CCCCC1=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826410483 609134994 /nfs/dbraw/zinc/13/49/94/609134994.db2.gz OUDUFEAGTRPEIV-HNNXBMFYSA-N -1 3 397.439 0.491 20 0 GCADHM O=C(CN1CCCCC1=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826410483 609134995 /nfs/dbraw/zinc/13/49/95/609134995.db2.gz OUDUFEAGTRPEIV-HNNXBMFYSA-N -1 3 397.439 0.491 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CCNC(=O)C1 ZINC000826479231 609136745 /nfs/dbraw/zinc/13/67/45/609136745.db2.gz UDKNATCLQRSSKH-GXTWGEPZSA-N -1 3 383.412 0.005 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CCNC(=O)C1 ZINC000826479231 609136746 /nfs/dbraw/zinc/13/67/46/609136746.db2.gz UDKNATCLQRSSKH-GXTWGEPZSA-N -1 3 383.412 0.005 20 0 GCADHM Cc1nnc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000826335287 609138130 /nfs/dbraw/zinc/13/81/30/609138130.db2.gz HJXNUNIAKJVYPK-UHFFFAOYSA-N -1 3 378.805 0.935 20 0 GCADHM Cc1nnc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000826335287 609138132 /nfs/dbraw/zinc/13/81/32/609138132.db2.gz HJXNUNIAKJVYPK-UHFFFAOYSA-N -1 3 378.805 0.935 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000826133348 609144312 /nfs/dbraw/zinc/14/43/12/609144312.db2.gz LTGOTCFBPLWJDK-DZGCQCFKSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1CCOc1cccc(-c2nn[n-]n2)c1 ZINC000826133348 609144313 /nfs/dbraw/zinc/14/43/13/609144313.db2.gz LTGOTCFBPLWJDK-DZGCQCFKSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H](C(=O)OC)C1 ZINC000826132081 609144337 /nfs/dbraw/zinc/14/43/37/609144337.db2.gz AVJHVUSHWNZPKF-BXUZGUMPSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@@H](C(=O)OC)C1 ZINC000826132081 609144338 /nfs/dbraw/zinc/14/43/38/609144338.db2.gz AVJHVUSHWNZPKF-BXUZGUMPSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)[C@@H](C(=O)OC)C1 ZINC000826132877 609144364 /nfs/dbraw/zinc/14/43/64/609144364.db2.gz HQBWTASGORXHGC-QMTHXVAHSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)[C@@H](C(=O)OC)C1 ZINC000826132877 609144365 /nfs/dbraw/zinc/14/43/65/609144365.db2.gz HQBWTASGORXHGC-QMTHXVAHSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C(=O)OC)C1 ZINC000826133725 609144417 /nfs/dbraw/zinc/14/44/17/609144417.db2.gz OQPABMPDJQHBNB-KFWWJZLASA-N -1 3 389.412 0.327 20 0 GCADHM COC(=O)[C@@H]1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C(=O)OC)C1 ZINC000826133725 609144419 /nfs/dbraw/zinc/14/44/19/609144419.db2.gz OQPABMPDJQHBNB-KFWWJZLASA-N -1 3 389.412 0.327 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000826132876 609144423 /nfs/dbraw/zinc/14/44/23/609144423.db2.gz HQBWTASGORXHGC-IINYFYTJSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000826132876 609144425 /nfs/dbraw/zinc/14/44/25/609144425.db2.gz HQBWTASGORXHGC-IINYFYTJSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC)[C@H](C(=O)OC)C1 ZINC000826132055 609144788 /nfs/dbraw/zinc/14/47/88/609144788.db2.gz ASJHWKZYEWNRGN-JSGCOSHPSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC)[C@H](C(=O)OC)C1 ZINC000826132055 609144790 /nfs/dbraw/zinc/14/47/90/609144790.db2.gz ASJHWKZYEWNRGN-JSGCOSHPSA-N -1 3 389.412 0.802 20 0 GCADHM Cc1noc(-c2ccccc2C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)n1 ZINC000826337857 609145131 /nfs/dbraw/zinc/14/51/31/609145131.db2.gz CKKJVKFSPJBBEK-UHFFFAOYSA-N -1 3 381.356 0.861 20 0 GCADHM Cc1noc(-c2ccccc2C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)n1 ZINC000826337857 609145132 /nfs/dbraw/zinc/14/51/32/609145132.db2.gz CKKJVKFSPJBBEK-UHFFFAOYSA-N -1 3 381.356 0.861 20 0 GCADHM Cc1cc(C(=O)N2CCS(=O)(=O)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258167 609153230 /nfs/dbraw/zinc/15/32/30/609153230.db2.gz CKGWBTWIWZJHRQ-UHFFFAOYSA-N -1 3 387.425 0.231 20 0 GCADHM Cc1cc(C(=O)N2CCS(=O)(=O)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258167 609153231 /nfs/dbraw/zinc/15/32/31/609153231.db2.gz CKGWBTWIWZJHRQ-UHFFFAOYSA-N -1 3 387.425 0.231 20 0 GCADHM Cc1cc(C(=O)NCCc2nncn2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260034 609153855 /nfs/dbraw/zinc/15/38/55/609153855.db2.gz SDAXEDAULNBQLG-UHFFFAOYSA-N -1 3 378.400 0.462 20 0 GCADHM Cc1cc(C(=O)NCCc2nncn2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260034 609153857 /nfs/dbraw/zinc/15/38/57/609153857.db2.gz SDAXEDAULNBQLG-UHFFFAOYSA-N -1 3 378.400 0.462 20 0 GCADHM CCN1CCN(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)C(=O)C1=O ZINC000825460382 609155290 /nfs/dbraw/zinc/15/52/90/609155290.db2.gz VQHGDSARIYNYHM-UHFFFAOYSA-N -1 3 392.803 0.254 20 0 GCADHM CCN1CCN(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)C(=O)C1=O ZINC000825460382 609155293 /nfs/dbraw/zinc/15/52/93/609155293.db2.gz VQHGDSARIYNYHM-UHFFFAOYSA-N -1 3 392.803 0.254 20 0 GCADHM Cc1cc(C(=O)NC[C@]2(O)CCSC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259115 609161883 /nfs/dbraw/zinc/16/18/83/609161883.db2.gz HZSDONJUEWQOEP-QGZVFWFLSA-N -1 3 385.453 0.959 20 0 GCADHM Cc1cc(C(=O)NC[C@]2(O)CCSC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259115 609161884 /nfs/dbraw/zinc/16/18/84/609161884.db2.gz HZSDONJUEWQOEP-QGZVFWFLSA-N -1 3 385.453 0.959 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](CO)OC[C@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258075 609163100 /nfs/dbraw/zinc/16/31/00/609163100.db2.gz YNXDSESMPYLIRD-IUODEOHRSA-N -1 3 383.412 0.583 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](CO)OC[C@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258075 609163101 /nfs/dbraw/zinc/16/31/01/609163101.db2.gz YNXDSESMPYLIRD-IUODEOHRSA-N -1 3 383.412 0.583 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CC[C@@H](C)O2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559920 609169122 /nfs/dbraw/zinc/16/91/22/609169122.db2.gz LNVOYIFZTZPHHE-ZYHUDNBSSA-N -1 3 392.416 0.997 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CC[C@@H](C)O2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559920 609169124 /nfs/dbraw/zinc/16/91/24/609169124.db2.gz LNVOYIFZTZPHHE-ZYHUDNBSSA-N -1 3 392.416 0.997 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCCCO2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560701 609169337 /nfs/dbraw/zinc/16/93/37/609169337.db2.gz VTVRMRZUVUFWEO-GFCCVEGCSA-N -1 3 392.416 0.999 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCCCO2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560701 609169338 /nfs/dbraw/zinc/16/93/38/609169338.db2.gz VTVRMRZUVUFWEO-GFCCVEGCSA-N -1 3 392.416 0.999 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560193 609169377 /nfs/dbraw/zinc/16/93/77/609169377.db2.gz OFPNBLJWMXQEKA-LLVKDONJSA-N -1 3 378.389 0.609 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560193 609169379 /nfs/dbraw/zinc/16/93/79/609169379.db2.gz OFPNBLJWMXQEKA-LLVKDONJSA-N -1 3 378.389 0.609 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@@H](C)OC)c(-c2nnn[n-]2)cn1CCOC ZINC000825560697 609169383 /nfs/dbraw/zinc/16/93/83/609169383.db2.gz VSVPQFQCJWJVGP-SNVBAGLBSA-N -1 3 380.405 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@@H](C)OC)c(-c2nn[n-]n2)cn1CCOC ZINC000825560697 609169384 /nfs/dbraw/zinc/16/93/84/609169384.db2.gz VSVPQFQCJWJVGP-SNVBAGLBSA-N -1 3 380.405 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2ccnn2C)c(-c2nnn[n-]2)cn1CCOC ZINC000825560297 609171573 /nfs/dbraw/zinc/17/15/73/609171573.db2.gz PBIMNYQGFCZKII-UHFFFAOYSA-N -1 3 388.388 0.477 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2ccnn2C)c(-c2nn[n-]n2)cn1CCOC ZINC000825560297 609171576 /nfs/dbraw/zinc/17/15/76/609171576.db2.gz PBIMNYQGFCZKII-UHFFFAOYSA-N -1 3 388.388 0.477 20 0 GCADHM COC1(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000826143568 609172038 /nfs/dbraw/zinc/17/20/38/609172038.db2.gz GHVLJLJICDFEAP-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM COC1(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000826143568 609172040 /nfs/dbraw/zinc/17/20/40/609172040.db2.gz GHVLJLJICDFEAP-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM COC1(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000826143837 609172413 /nfs/dbraw/zinc/17/24/13/609172413.db2.gz RMTRYEQHSAECNY-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM COC1(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000826143837 609172415 /nfs/dbraw/zinc/17/24/15/609172415.db2.gz RMTRYEQHSAECNY-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM NC(=O)c1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c[nH]1 ZINC000826392691 609179037 /nfs/dbraw/zinc/17/90/37/609179037.db2.gz JAFDNIXFXBTTKZ-CYBMUJFWSA-N -1 3 394.395 0.219 20 0 GCADHM NC(=O)c1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c[nH]1 ZINC000826392691 609179039 /nfs/dbraw/zinc/17/90/39/609179039.db2.gz JAFDNIXFXBTTKZ-CYBMUJFWSA-N -1 3 394.395 0.219 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccc[n+]1[O-] ZINC000826430760 609179693 /nfs/dbraw/zinc/17/96/93/609179693.db2.gz KCGFVECNOMKUDY-AWEZNQCLSA-N -1 3 379.380 0.426 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccc[n+]1[O-] ZINC000826430760 609179696 /nfs/dbraw/zinc/17/96/96/609179696.db2.gz KCGFVECNOMKUDY-AWEZNQCLSA-N -1 3 379.380 0.426 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cncc([O-])c1 ZINC000826430363 609179816 /nfs/dbraw/zinc/17/98/16/609179816.db2.gz AKPWTCUKJUHPMH-HNNXBMFYSA-N -1 3 379.380 0.893 20 0 GCADHM CCc1nnc2n1C[C@H](NC(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000825771061 609179945 /nfs/dbraw/zinc/17/99/45/609179945.db2.gz IAQOMICJCWDYLK-GFCCVEGCSA-N -1 3 397.447 0.142 20 0 GCADHM CCc1nnc2n1C[C@H](NC(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000825771061 609179947 /nfs/dbraw/zinc/17/99/47/609179947.db2.gz IAQOMICJCWDYLK-GFCCVEGCSA-N -1 3 397.447 0.142 20 0 GCADHM C[C@H](CO)[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824433509 609180364 /nfs/dbraw/zinc/18/03/64/609180364.db2.gz GEFMATBEENZTCS-XUJVJEKNSA-N -1 3 387.444 0.678 20 0 GCADHM C[C@H](CO)[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824433509 609180366 /nfs/dbraw/zinc/18/03/66/609180366.db2.gz GEFMATBEENZTCS-XUJVJEKNSA-N -1 3 387.444 0.678 20 0 GCADHM COc1ccc(CNS(=O)(=O)N2CCOC(C)(C)C2)cc1-c1nnn[n-]1 ZINC000826203210 609180647 /nfs/dbraw/zinc/18/06/47/609180647.db2.gz DOSQYYATJCMCRH-UHFFFAOYSA-N -1 3 382.446 0.321 20 0 GCADHM COc1ccc(CNS(=O)(=O)N2CCOC(C)(C)C2)cc1-c1nn[n-]n1 ZINC000826203210 609180649 /nfs/dbraw/zinc/18/06/49/609180649.db2.gz DOSQYYATJCMCRH-UHFFFAOYSA-N -1 3 382.446 0.321 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)CCO2)no1 ZINC000826325427 609180702 /nfs/dbraw/zinc/18/07/02/609180702.db2.gz XGEKIKKRVSRIBQ-CYBMUJFWSA-N -1 3 388.363 0.980 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)CCO2)no1 ZINC000826325427 609180704 /nfs/dbraw/zinc/18/07/04/609180704.db2.gz XGEKIKKRVSRIBQ-CYBMUJFWSA-N -1 3 388.363 0.980 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2COC3(CCOCC3)O2)c1-c1nnn[n-]1 ZINC000826303520 609182204 /nfs/dbraw/zinc/18/22/04/609182204.db2.gz SYYHMJOCGQSWBQ-LBPRGKRZSA-N -1 3 395.441 0.376 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2COC3(CCOCC3)O2)c1-c1nn[n-]n1 ZINC000826303520 609182206 /nfs/dbraw/zinc/18/22/06/609182206.db2.gz SYYHMJOCGQSWBQ-LBPRGKRZSA-N -1 3 395.441 0.376 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490952 609182790 /nfs/dbraw/zinc/18/27/90/609182790.db2.gz NZSZHELYQNUUMA-LLVKDONJSA-N -1 3 399.404 0.206 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490953 609183091 /nfs/dbraw/zinc/18/30/91/609183091.db2.gz NZSZHELYQNUUMA-NSHDSACASA-N -1 3 399.404 0.206 20 0 GCADHM O=C(c1ccco1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826475232 609184345 /nfs/dbraw/zinc/18/43/45/609184345.db2.gz ZGTRGEDLBDYROM-HNNXBMFYSA-N -1 3 382.380 0.478 20 0 GCADHM O=C(c1ccco1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826475232 609184346 /nfs/dbraw/zinc/18/43/46/609184346.db2.gz ZGTRGEDLBDYROM-HNNXBMFYSA-N -1 3 382.380 0.478 20 0 GCADHM CCn1c(=O)cc(Cl)n(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000825782354 609186459 /nfs/dbraw/zinc/18/64/59/609186459.db2.gz DVPYOKQGMDMALV-NSHDSACASA-N -1 3 392.803 0.303 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1S(N)(=O)=O ZINC000826290775 609186656 /nfs/dbraw/zinc/18/66/56/609186656.db2.gz ZFIOMVFNABHMAP-AWEZNQCLSA-N -1 3 388.409 0.495 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1S(N)(=O)=O ZINC000826290775 609186657 /nfs/dbraw/zinc/18/66/57/609186657.db2.gz ZFIOMVFNABHMAP-AWEZNQCLSA-N -1 3 388.409 0.495 20 0 GCADHM CCNC(=O)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC000825465379 609193372 /nfs/dbraw/zinc/19/33/72/609193372.db2.gz KXHULRLJJNDVSG-UHFFFAOYSA-N -1 3 397.443 0.210 20 0 GCADHM CCNC(=O)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000825465379 609193374 /nfs/dbraw/zinc/19/33/74/609193374.db2.gz KXHULRLJJNDVSG-UHFFFAOYSA-N -1 3 397.443 0.210 20 0 GCADHM COc1ccc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826187484 609193490 /nfs/dbraw/zinc/19/34/90/609193490.db2.gz RZXXTVBWNOMXNL-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM COc1ccc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826187484 609193491 /nfs/dbraw/zinc/19/34/91/609193491.db2.gz RZXXTVBWNOMXNL-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM O=C(NCc1nncn1-c1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443834 609197051 /nfs/dbraw/zinc/19/70/51/609197051.db2.gz FYVITGXXVRUCTF-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1nncn1-c1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443834 609197053 /nfs/dbraw/zinc/19/70/53/609197053.db2.gz FYVITGXXVRUCTF-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826090008 609201063 /nfs/dbraw/zinc/20/10/63/609201063.db2.gz BQBBOTSPLOJSIM-SECBINFHSA-N -1 3 375.414 0.594 20 0 GCADHM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826090008 609201064 /nfs/dbraw/zinc/20/10/64/609201064.db2.gz BQBBOTSPLOJSIM-SECBINFHSA-N -1 3 375.414 0.594 20 0 GCADHM C[C@@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825005655 609202299 /nfs/dbraw/zinc/20/22/99/609202299.db2.gz BKVVVYBHZVVCIN-IUODEOHRSA-N -1 3 385.428 0.792 20 0 GCADHM C[C@@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825005655 609202302 /nfs/dbraw/zinc/20/23/02/609202302.db2.gz BKVVVYBHZVVCIN-IUODEOHRSA-N -1 3 385.428 0.792 20 0 GCADHM C[C@]1(NC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCOC1 ZINC000824830841 609202431 /nfs/dbraw/zinc/20/24/31/609202431.db2.gz MEUGNZCJEBGZPG-KSSFIOAISA-N -1 3 385.428 0.840 20 0 GCADHM C[C@]1(NC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCOC1 ZINC000824830841 609202433 /nfs/dbraw/zinc/20/24/33/609202433.db2.gz MEUGNZCJEBGZPG-KSSFIOAISA-N -1 3 385.428 0.840 20 0 GCADHM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC000826223984 609202844 /nfs/dbraw/zinc/20/28/44/609202844.db2.gz JPBRKMTVYANYSH-UHFFFAOYSA-N -1 3 387.425 0.765 20 0 GCADHM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC000826223984 609202845 /nfs/dbraw/zinc/20/28/45/609202845.db2.gz JPBRKMTVYANYSH-UHFFFAOYSA-N -1 3 387.425 0.765 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@@H](CO)C1 ZINC000826431024 609202961 /nfs/dbraw/zinc/20/29/61/609202961.db2.gz PWXRKWTUHDCLIP-CZUORRHYSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@@H](CO)C1 ZINC000826431024 609202962 /nfs/dbraw/zinc/20/29/62/609202962.db2.gz PWXRKWTUHDCLIP-CZUORRHYSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(NCc1cccc(OCCN2CCOCC2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826442656 609203039 /nfs/dbraw/zinc/20/30/39/609203039.db2.gz FRHCIYFVOZLJMK-UHFFFAOYSA-N -1 3 397.439 0.836 20 0 GCADHM O=C(NCc1cccc(OCCN2CCOCC2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826442656 609203041 /nfs/dbraw/zinc/20/30/41/609203041.db2.gz FRHCIYFVOZLJMK-UHFFFAOYSA-N -1 3 397.439 0.836 20 0 GCADHM O=C(N[C@H](CCO)C1CC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826430705 609203104 /nfs/dbraw/zinc/20/31/04/609203104.db2.gz JJKSPAFNACFVKV-HZPDHXFCSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(N[C@H](CCO)C1CC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826430705 609203106 /nfs/dbraw/zinc/20/31/06/609203106.db2.gz JJKSPAFNACFVKV-HZPDHXFCSA-N -1 3 399.455 0.822 20 0 GCADHM C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(C)(C)O ZINC000824499576 609203703 /nfs/dbraw/zinc/20/37/03/609203703.db2.gz PSKGZPLKSYCZER-FZMZJTMJSA-N -1 3 387.444 0.821 20 0 GCADHM C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(C)(C)O ZINC000824499576 609203705 /nfs/dbraw/zinc/20/37/05/609203705.db2.gz PSKGZPLKSYCZER-FZMZJTMJSA-N -1 3 387.444 0.821 20 0 GCADHM CN(C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1CCOC1 ZINC000825820685 609204098 /nfs/dbraw/zinc/20/40/98/609204098.db2.gz PAGFKONYIBOUHF-HUUCEWRRSA-N -1 3 385.428 0.792 20 0 GCADHM CN(C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1CCOC1 ZINC000825820685 609204099 /nfs/dbraw/zinc/20/40/99/609204099.db2.gz PAGFKONYIBOUHF-HUUCEWRRSA-N -1 3 385.428 0.792 20 0 GCADHM Cc1nonc1CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826340144 609204888 /nfs/dbraw/zinc/20/48/88/609204888.db2.gz JKZOSINGCKKLAN-ZDUSSCGKSA-N -1 3 397.399 0.553 20 0 GCADHM Cc1nonc1CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826340144 609204890 /nfs/dbraw/zinc/20/48/90/609204890.db2.gz JKZOSINGCKKLAN-ZDUSSCGKSA-N -1 3 397.399 0.553 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CC[C@@H](CO)C1 ZINC000826431070 609205052 /nfs/dbraw/zinc/20/50/52/609205052.db2.gz RIUCASPQRQEDMG-IUODEOHRSA-N -1 3 385.428 0.386 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CC[C@@H](CO)C1 ZINC000826431070 609205054 /nfs/dbraw/zinc/20/50/54/609205054.db2.gz RIUCASPQRQEDMG-IUODEOHRSA-N -1 3 385.428 0.386 20 0 GCADHM CN(Cc1cc[nH]n1)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825953288 609205945 /nfs/dbraw/zinc/20/59/45/609205945.db2.gz CYDYJPBQPXDFBP-HNNXBMFYSA-N -1 3 395.427 0.927 20 0 GCADHM O=C(N[C@@H](CO)CC1CC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826426307 609206498 /nfs/dbraw/zinc/20/64/98/609206498.db2.gz KTDBSQCJABZQSC-GDBMZVCRSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(N[C@@H](CO)CC1CC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826426307 609206499 /nfs/dbraw/zinc/20/64/99/609206499.db2.gz KTDBSQCJABZQSC-GDBMZVCRSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826434512 609206756 /nfs/dbraw/zinc/20/67/56/609206756.db2.gz OVPOZILRZIBAHK-BPUTZDHNSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@H]1O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826434512 609206758 /nfs/dbraw/zinc/20/67/58/609206758.db2.gz OVPOZILRZIBAHK-BPUTZDHNSA-N -1 3 399.455 0.822 20 0 GCADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000825282703 609209032 /nfs/dbraw/zinc/20/90/32/609209032.db2.gz WYHCPKDZYIJHHW-LSDHHAIUSA-N -1 3 393.469 0.716 20 0 GCADHM CCCCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000825282703 609209033 /nfs/dbraw/zinc/20/90/33/609209033.db2.gz WYHCPKDZYIJHHW-LSDHHAIUSA-N -1 3 393.469 0.716 20 0 GCADHM O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443384 609209505 /nfs/dbraw/zinc/20/95/05/609209505.db2.gz MTVXSWVRLVXGHU-CVEARBPZSA-N -1 3 396.407 0.801 20 0 GCADHM O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443384 609209507 /nfs/dbraw/zinc/20/95/07/609209507.db2.gz MTVXSWVRLVXGHU-CVEARBPZSA-N -1 3 396.407 0.801 20 0 GCADHM O=C(NCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000826437499 609209659 /nfs/dbraw/zinc/20/96/59/609209659.db2.gz OEBUXRNBAFYQMS-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(NCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000826437499 609209660 /nfs/dbraw/zinc/20/96/60/609209660.db2.gz OEBUXRNBAFYQMS-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM Cc1cccc(C(=O)NCCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826295912 609209665 /nfs/dbraw/zinc/20/96/65/609209665.db2.gz CRQJUIKLRIGFJO-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1cccc(C(=O)NCCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826295912 609209666 /nfs/dbraw/zinc/20/96/66/609209666.db2.gz CRQJUIKLRIGFJO-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427353 609211970 /nfs/dbraw/zinc/21/19/70/609211970.db2.gz NFOVHCSXLQIAPC-MRXNPFEDSA-N -1 3 381.440 0.868 20 0 GCADHM O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427353 609211972 /nfs/dbraw/zinc/21/19/72/609211972.db2.gz NFOVHCSXLQIAPC-MRXNPFEDSA-N -1 3 381.440 0.868 20 0 GCADHM CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824266589 609215820 /nfs/dbraw/zinc/21/58/20/609215820.db2.gz NNYBYNGZAZBIRD-KGLIPLIRSA-N -1 3 390.469 0.574 20 0 GCADHM CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824266589 609215821 /nfs/dbraw/zinc/21/58/21/609215821.db2.gz NNYBYNGZAZBIRD-KGLIPLIRSA-N -1 3 390.469 0.574 20 0 GCADHM CN(C(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000825812610 609216880 /nfs/dbraw/zinc/21/68/80/609216880.db2.gz OOORQNKEAODHBZ-UONOGXRCSA-N -1 3 388.453 0.422 20 0 GCADHM CN(C(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000825812610 609216881 /nfs/dbraw/zinc/21/68/81/609216881.db2.gz OOORQNKEAODHBZ-UONOGXRCSA-N -1 3 388.453 0.422 20 0 GCADHM O=C(NCCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826436872 609218385 /nfs/dbraw/zinc/21/83/85/609218385.db2.gz MLGWKZRGNZEZHR-MRXNPFEDSA-N -1 3 380.408 0.836 20 0 GCADHM O=C(NCCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826436872 609218387 /nfs/dbraw/zinc/21/83/87/609218387.db2.gz MLGWKZRGNZEZHR-MRXNPFEDSA-N -1 3 380.408 0.836 20 0 GCADHM O=C(c1cccn2c(=O)[nH]nc12)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826474824 609219079 /nfs/dbraw/zinc/21/90/79/609219079.db2.gz HHRYTZHVKPNUQX-UHFFFAOYSA-N -1 3 391.395 0.577 20 0 GCADHM O=C(c1cccn2c(=O)[nH]nc12)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826474824 609219080 /nfs/dbraw/zinc/21/90/80/609219080.db2.gz HHRYTZHVKPNUQX-UHFFFAOYSA-N -1 3 391.395 0.577 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000824991724 609221095 /nfs/dbraw/zinc/22/10/95/609221095.db2.gz FVHOURFZTXVROV-CMPLNLGQSA-N -1 3 381.462 0.373 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000824991724 609221097 /nfs/dbraw/zinc/22/10/97/609221097.db2.gz FVHOURFZTXVROV-CMPLNLGQSA-N -1 3 381.462 0.373 20 0 GCADHM COC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000826102979 609223712 /nfs/dbraw/zinc/22/37/12/609223712.db2.gz BJNUGBQCAIQKRO-HZPDHXFCSA-N -1 3 397.391 0.939 20 0 GCADHM COC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000826102979 609223714 /nfs/dbraw/zinc/22/37/14/609223714.db2.gz BJNUGBQCAIQKRO-HZPDHXFCSA-N -1 3 397.391 0.939 20 0 GCADHM CCn1cnnc1C1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825804947 609224900 /nfs/dbraw/zinc/22/49/00/609224900.db2.gz LPMMIMWERHNWLD-OAHLLOKOSA-N -1 3 382.428 0.918 20 0 GCADHM CCn1cnnc1C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825804947 609224901 /nfs/dbraw/zinc/22/49/01/609224901.db2.gz LPMMIMWERHNWLD-OAHLLOKOSA-N -1 3 382.428 0.918 20 0 GCADHM CCn1cnnc1C1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825804946 609225011 /nfs/dbraw/zinc/22/50/11/609225011.db2.gz LPMMIMWERHNWLD-HNNXBMFYSA-N -1 3 382.428 0.918 20 0 GCADHM CCn1cnnc1C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825804946 609225013 /nfs/dbraw/zinc/22/50/13/609225013.db2.gz LPMMIMWERHNWLD-HNNXBMFYSA-N -1 3 382.428 0.918 20 0 GCADHM O=C(NCC[S@@](=O)Cc1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439565 609227758 /nfs/dbraw/zinc/22/77/58/609227758.db2.gz ZYXZCLJRCLMVBN-CHAGWJKLSA-N -1 3 385.449 0.965 20 0 GCADHM O=C(NCC[S@@](=O)Cc1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439565 609227759 /nfs/dbraw/zinc/22/77/59/609227759.db2.gz ZYXZCLJRCLMVBN-CHAGWJKLSA-N -1 3 385.449 0.965 20 0 GCADHM CCN1CCN(C2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)C1=O ZINC000825460416 609229487 /nfs/dbraw/zinc/22/94/87/609229487.db2.gz WPCVAZMTESOPET-INIZCTEOSA-N -1 3 399.455 0.649 20 0 GCADHM CCN1CCN(C2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000825460416 609229489 /nfs/dbraw/zinc/22/94/89/609229489.db2.gz WPCVAZMTESOPET-INIZCTEOSA-N -1 3 399.455 0.649 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000826398447 609230443 /nfs/dbraw/zinc/23/04/43/609230443.db2.gz WWUHCCGCMRDQJI-WBVHZDCISA-N -1 3 384.440 0.904 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000826398447 609230445 /nfs/dbraw/zinc/23/04/45/609230445.db2.gz WWUHCCGCMRDQJI-WBVHZDCISA-N -1 3 384.440 0.904 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824449637 609230809 /nfs/dbraw/zinc/23/08/09/609230809.db2.gz OJNZNVBUZOEHCP-QMTHXVAHSA-N -1 3 379.442 0.324 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824449637 609230810 /nfs/dbraw/zinc/23/08/10/609230810.db2.gz OJNZNVBUZOEHCP-QMTHXVAHSA-N -1 3 379.442 0.324 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824449632 609231117 /nfs/dbraw/zinc/23/11/17/609231117.db2.gz OJNZNVBUZOEHCP-HZMBPMFUSA-N -1 3 379.442 0.324 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824449632 609231119 /nfs/dbraw/zinc/23/11/19/609231119.db2.gz OJNZNVBUZOEHCP-HZMBPMFUSA-N -1 3 379.442 0.324 20 0 GCADHM O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431354 609233132 /nfs/dbraw/zinc/23/31/32/609233132.db2.gz ZDKBSPXOIRKDRK-ZBFHGGJFSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(N[C@@H]1CCCN(c2cccnn2)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431354 609233134 /nfs/dbraw/zinc/23/31/34/609233134.db2.gz ZDKBSPXOIRKDRK-ZBFHGGJFSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1cccnn1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435067 609233213 /nfs/dbraw/zinc/23/32/13/609233213.db2.gz FVZAGLSYOHPEME-GOEBONIOSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1cccnn1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435067 609233215 /nfs/dbraw/zinc/23/32/15/609233215.db2.gz FVZAGLSYOHPEME-GOEBONIOSA-N -1 3 380.412 0.475 20 0 GCADHM Cc1ccoc1C(=O)NCCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826315465 609235257 /nfs/dbraw/zinc/23/52/57/609235257.db2.gz KKPQSYBKHCMJFG-CQSZACIVSA-N -1 3 384.396 0.738 20 0 GCADHM Cc1ccoc1C(=O)NCCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826315465 609235259 /nfs/dbraw/zinc/23/52/59/609235259.db2.gz KKPQSYBKHCMJFG-CQSZACIVSA-N -1 3 384.396 0.738 20 0 GCADHM O=C(NCCCOCC1CCOCC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436615 609236103 /nfs/dbraw/zinc/23/61/03/609236103.db2.gz ARRLDABWINTGDR-MRXNPFEDSA-N -1 3 375.429 0.850 20 0 GCADHM O=C(NCCCOCC1CCOCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436615 609236104 /nfs/dbraw/zinc/23/61/04/609236104.db2.gz ARRLDABWINTGDR-MRXNPFEDSA-N -1 3 375.429 0.850 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000826397472 609236208 /nfs/dbraw/zinc/23/62/08/609236208.db2.gz FGPSIZMBYQNUFC-LLVKDONJSA-N -1 3 394.317 0.553 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000826397472 609236209 /nfs/dbraw/zinc/23/62/09/609236209.db2.gz FGPSIZMBYQNUFC-LLVKDONJSA-N -1 3 394.317 0.553 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1COC2(CCOCC2)O1 ZINC000826417048 609236350 /nfs/dbraw/zinc/23/63/50/609236350.db2.gz BPLJORKDRFCFSZ-AWEZNQCLSA-N -1 3 375.385 0.284 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000825812863 609236850 /nfs/dbraw/zinc/23/68/50/609236850.db2.gz WKCNCOMZYUDQJO-QLFBSQMISA-N -1 3 393.469 0.714 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000825812863 609236852 /nfs/dbraw/zinc/23/68/52/609236852.db2.gz WKCNCOMZYUDQJO-QLFBSQMISA-N -1 3 393.469 0.714 20 0 GCADHM COCCCOC1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826156482 609237064 /nfs/dbraw/zinc/23/70/64/609237064.db2.gz FTCYAZBCUOWAEV-MRXNPFEDSA-N -1 3 375.429 0.944 20 0 GCADHM COCCCOC1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826156482 609237066 /nfs/dbraw/zinc/23/70/66/609237066.db2.gz FTCYAZBCUOWAEV-MRXNPFEDSA-N -1 3 375.429 0.944 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826222148 609237129 /nfs/dbraw/zinc/23/71/29/609237129.db2.gz LDRFMEPBZKNBEX-BFHYXJOUSA-N -1 3 379.442 0.372 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826222148 609237131 /nfs/dbraw/zinc/23/71/31/609237131.db2.gz LDRFMEPBZKNBEX-BFHYXJOUSA-N -1 3 379.442 0.372 20 0 GCADHM COCc1noc(COC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000826165757 609239230 /nfs/dbraw/zinc/23/92/30/609239230.db2.gz IYYAPLPLWOCQDY-UHFFFAOYSA-N -1 3 397.355 0.521 20 0 GCADHM COCc1noc(COC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000826165757 609239231 /nfs/dbraw/zinc/23/92/31/609239231.db2.gz IYYAPLPLWOCQDY-UHFFFAOYSA-N -1 3 397.355 0.521 20 0 GCADHM CC[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000825203576 609239580 /nfs/dbraw/zinc/23/95/80/609239580.db2.gz NLYYVHZZNUHPMI-XOKHGSTOSA-N -1 3 386.456 0.469 20 0 GCADHM CC[C@@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000825203568 609239642 /nfs/dbraw/zinc/23/96/42/609239642.db2.gz NLYYVHZZNUHPMI-COXVUDFISA-N -1 3 386.456 0.469 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824100841 609241852 /nfs/dbraw/zinc/24/18/52/609241852.db2.gz YOELJHRIUJUJAZ-UONOGXRCSA-N -1 3 389.412 0.469 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824100841 609241854 /nfs/dbraw/zinc/24/18/54/609241854.db2.gz YOELJHRIUJUJAZ-UONOGXRCSA-N -1 3 389.412 0.469 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824970792 609246022 /nfs/dbraw/zinc/24/60/22/609246022.db2.gz YAOCAKIHTAGQKL-RLCCDNCMSA-N -1 3 384.440 0.663 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824970792 609246024 /nfs/dbraw/zinc/24/60/24/609246024.db2.gz YAOCAKIHTAGQKL-RLCCDNCMSA-N -1 3 384.440 0.663 20 0 GCADHM C[C@H](c1ccccc1)N(CC(N)=O)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826232351 609246340 /nfs/dbraw/zinc/24/63/40/609246340.db2.gz DCOZXHCFQCOSRR-PXAZEXFGSA-N -1 3 380.408 0.975 20 0 GCADHM C[C@H](c1ccccc1)N(CC(N)=O)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826232351 609246342 /nfs/dbraw/zinc/24/63/42/609246342.db2.gz DCOZXHCFQCOSRR-PXAZEXFGSA-N -1 3 380.408 0.975 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000826398142 609250158 /nfs/dbraw/zinc/25/01/58/609250158.db2.gz RAGMTUCDJHCVMJ-HLLBOEOZSA-N -1 3 399.407 0.844 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000826398142 609250160 /nfs/dbraw/zinc/25/01/60/609250160.db2.gz RAGMTUCDJHCVMJ-HLLBOEOZSA-N -1 3 399.407 0.844 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431080 609250440 /nfs/dbraw/zinc/25/04/40/609250440.db2.gz RMLIGLDBNTZHSA-HOTGVXAUSA-N -1 3 384.440 0.807 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431080 609250442 /nfs/dbraw/zinc/25/04/42/609250442.db2.gz RMLIGLDBNTZHSA-HOTGVXAUSA-N -1 3 384.440 0.807 20 0 GCADHM COc1ccccc1CN(CCO)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826219531 609252302 /nfs/dbraw/zinc/25/23/02/609252302.db2.gz GLVVNUPPQMKOHN-QGZVFWFLSA-N -1 3 383.408 0.930 20 0 GCADHM COc1ccccc1CN(CCO)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826219531 609252304 /nfs/dbraw/zinc/25/23/04/609252304.db2.gz GLVVNUPPQMKOHN-QGZVFWFLSA-N -1 3 383.408 0.930 20 0 GCADHM Cn1ccnc1[C@@H](O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826364234 609252778 /nfs/dbraw/zinc/25/27/78/609252778.db2.gz PBARXCITIZDUSF-JKSUJKDBSA-N -1 3 397.439 0.606 20 0 GCADHM Cn1ccnc1[C@@H](O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826364234 609252779 /nfs/dbraw/zinc/25/27/79/609252779.db2.gz PBARXCITIZDUSF-JKSUJKDBSA-N -1 3 397.439 0.606 20 0 GCADHM O=C(N[C@H](CO)C[C@H](O)c1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826426815 609255568 /nfs/dbraw/zinc/25/55/68/609255568.db2.gz XAVSTPUQYRATIZ-YESZJQIVSA-N -1 3 383.408 0.501 20 0 GCADHM O=C(N[C@H](CO)C[C@H](O)c1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826426815 609255569 /nfs/dbraw/zinc/25/55/69/609255569.db2.gz XAVSTPUQYRATIZ-YESZJQIVSA-N -1 3 383.408 0.501 20 0 GCADHM C[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000824966594 609256988 /nfs/dbraw/zinc/25/69/88/609256988.db2.gz CCINYNPUSAMNTB-GWCFXTLKSA-N -1 3 384.362 0.995 20 0 GCADHM C[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000824966594 609256989 /nfs/dbraw/zinc/25/69/89/609256989.db2.gz CCINYNPUSAMNTB-GWCFXTLKSA-N -1 3 384.362 0.995 20 0 GCADHM O=C(Nc1cccc(CN2CCOCC2)n1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456387 609259150 /nfs/dbraw/zinc/25/91/50/609259150.db2.gz BEEYXTLRXLYCGT-KRWDZBQOSA-N -1 3 395.423 0.766 20 0 GCADHM O=C(Nc1cccc(CN2CCOCC2)n1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456387 609259152 /nfs/dbraw/zinc/25/91/52/609259152.db2.gz BEEYXTLRXLYCGT-KRWDZBQOSA-N -1 3 395.423 0.766 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000820732983 609259361 /nfs/dbraw/zinc/25/93/61/609259361.db2.gz BPDYMDHJDOIGMQ-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000820732983 609259362 /nfs/dbraw/zinc/25/93/62/609259362.db2.gz BPDYMDHJDOIGMQ-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM O=C(NCCC1CCS(=O)(=O)CC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436353 609260181 /nfs/dbraw/zinc/26/01/81/609260181.db2.gz QOOVXSGFHZFEEI-CQSZACIVSA-N -1 3 379.442 0.231 20 0 GCADHM O=C(NCCC1CCS(=O)(=O)CC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436353 609260182 /nfs/dbraw/zinc/26/01/82/609260182.db2.gz QOOVXSGFHZFEEI-CQSZACIVSA-N -1 3 379.442 0.231 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)C(C)(C)O ZINC000824633336 609262359 /nfs/dbraw/zinc/26/23/59/609262359.db2.gz LDBWDQQWYITQSK-JTQLQIEISA-N -1 3 396.473 0.199 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)C(C)(C)O ZINC000824633336 609262362 /nfs/dbraw/zinc/26/23/62/609262362.db2.gz LDBWDQQWYITQSK-JTQLQIEISA-N -1 3 396.473 0.199 20 0 GCADHM O=C(NC[C@@H]1COC2(CCOCC2)O1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826435357 609265369 /nfs/dbraw/zinc/26/53/69/609265369.db2.gz MROZCKHEQFLDJA-SNVBAGLBSA-N -1 3 380.792 0.567 20 0 GCADHM O=C(NC[C@@H]1COC2(CCOCC2)O1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826435357 609265370 /nfs/dbraw/zinc/26/53/70/609265370.db2.gz MROZCKHEQFLDJA-SNVBAGLBSA-N -1 3 380.792 0.567 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825466233 609265533 /nfs/dbraw/zinc/26/55/33/609265533.db2.gz XMCWZSWSRJMSLV-CVEARBPZSA-N -1 3 399.455 0.199 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825466233 609265535 /nfs/dbraw/zinc/26/55/35/609265535.db2.gz XMCWZSWSRJMSLV-CVEARBPZSA-N -1 3 399.455 0.199 20 0 GCADHM CSCC[C@@H](O)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826228311 609265877 /nfs/dbraw/zinc/26/58/77/609265877.db2.gz LGEKINPEVHREBL-UONOGXRCSA-N -1 3 390.469 0.592 20 0 GCADHM CSCC[C@@H](O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826228311 609265879 /nfs/dbraw/zinc/26/58/79/609265879.db2.gz LGEKINPEVHREBL-UONOGXRCSA-N -1 3 390.469 0.592 20 0 GCADHM O=Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)[nH]1 ZINC000826484270 609266223 /nfs/dbraw/zinc/26/62/23/609266223.db2.gz VYJHZVZVMNLGPK-OAHLLOKOSA-N -1 3 379.380 0.933 20 0 GCADHM O=Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)[nH]1 ZINC000826484270 609266225 /nfs/dbraw/zinc/26/62/25/609266225.db2.gz VYJHZVZVMNLGPK-OAHLLOKOSA-N -1 3 379.380 0.933 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H](O)c1cccnc1 ZINC000826429739 609266234 /nfs/dbraw/zinc/26/62/34/609266234.db2.gz LXEKKHCVWKWQDD-CVEARBPZSA-N -1 3 393.407 0.607 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H](O)c1cccnc1 ZINC000826429739 609266236 /nfs/dbraw/zinc/26/62/36/609266236.db2.gz LXEKKHCVWKWQDD-CVEARBPZSA-N -1 3 393.407 0.607 20 0 GCADHM COCCn1cc2c(n1)[C@H](NC(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000826163753 609266664 /nfs/dbraw/zinc/26/66/64/609266664.db2.gz JRVDLCKTCPBRPX-NVXWUHKLSA-N -1 3 397.439 0.937 20 0 GCADHM COCCn1cc2c(n1)[C@H](NC(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000826163753 609266665 /nfs/dbraw/zinc/26/66/65/609266665.db2.gz JRVDLCKTCPBRPX-NVXWUHKLSA-N -1 3 397.439 0.937 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](O)c1cccc(F)c1 ZINC000824480325 609266917 /nfs/dbraw/zinc/26/69/17/609266917.db2.gz VOLFNNPTUWHBDL-APPDUMDISA-N -1 3 398.398 0.974 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](O)c1cccc(F)c1 ZINC000824480325 609266918 /nfs/dbraw/zinc/26/69/18/609266918.db2.gz VOLFNNPTUWHBDL-APPDUMDISA-N -1 3 398.398 0.974 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)NCCCOCCO)c1-c1nnn[n-]1 ZINC000826231488 609267021 /nfs/dbraw/zinc/26/70/21/609267021.db2.gz NKKCOKAZYPUPDG-UHFFFAOYSA-N -1 3 378.458 0.990 20 0 GCADHM Cc1nc(SCC(=O)NCCCOCCO)c(-c2nnn[n-]2)c(C)c1C ZINC000826327437 609267199 /nfs/dbraw/zinc/26/71/99/609267199.db2.gz HONKAOCPAZZWEB-UHFFFAOYSA-N -1 3 380.474 0.794 20 0 GCADHM Cc1nc(SCC(=O)NCCCOCCO)c(-c2nn[n-]n2)c(C)c1C ZINC000826327437 609267200 /nfs/dbraw/zinc/26/72/00/609267200.db2.gz HONKAOCPAZZWEB-UHFFFAOYSA-N -1 3 380.474 0.794 20 0 GCADHM CN(C)c1nc(CS(=O)(=O)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)ns1 ZINC000825884174 609268682 /nfs/dbraw/zinc/26/86/82/609268682.db2.gz UKWAYNIUUMLMSK-NSHDSACASA-N -1 3 395.470 0.433 20 0 GCADHM CN(C)c1nc(CS(=O)(=O)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)ns1 ZINC000825884174 609268684 /nfs/dbraw/zinc/26/86/84/609268684.db2.gz UKWAYNIUUMLMSK-NSHDSACASA-N -1 3 395.470 0.433 20 0 GCADHM O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCNc1ncccc1-c1nnn[n-]1 ZINC000826482152 609271523 /nfs/dbraw/zinc/27/15/23/609271523.db2.gz UBVFSUCRCYCLCR-AWEZNQCLSA-N -1 3 378.396 0.837 20 0 GCADHM O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCNc1ncccc1-c1nn[n-]n1 ZINC000826482152 609271524 /nfs/dbraw/zinc/27/15/24/609271524.db2.gz UBVFSUCRCYCLCR-AWEZNQCLSA-N -1 3 378.396 0.837 20 0 GCADHM CN(c1c(F)cccc1C(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826004330 609283335 /nfs/dbraw/zinc/28/33/35/609283335.db2.gz SKSZKVOZGKTLKU-UHFFFAOYSA-N -1 3 376.373 0.930 20 0 GCADHM CN(c1c(F)cccc1C(N)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826004330 609283337 /nfs/dbraw/zinc/28/33/37/609283337.db2.gz SKSZKVOZGKTLKU-UHFFFAOYSA-N -1 3 376.373 0.930 20 0 GCADHM CN1C[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)C(=O)N1 ZINC000826018443 609284608 /nfs/dbraw/zinc/28/46/08/609284608.db2.gz ZEXDJCMXBUDTAJ-OAHLLOKOSA-N -1 3 379.380 0.734 20 0 GCADHM CN1C[C@@H](NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)C(=O)N1 ZINC000826018443 609284609 /nfs/dbraw/zinc/28/46/09/609284609.db2.gz ZEXDJCMXBUDTAJ-OAHLLOKOSA-N -1 3 379.380 0.734 20 0 GCADHM CN1C[C@@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C(=O)N1 ZINC000826018206 609284653 /nfs/dbraw/zinc/28/46/53/609284653.db2.gz RFPZJCUODDYBAA-CYBMUJFWSA-N -1 3 383.368 0.114 20 0 GCADHM CN1C[C@@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C(=O)N1 ZINC000826018206 609284655 /nfs/dbraw/zinc/28/46/55/609284655.db2.gz RFPZJCUODDYBAA-CYBMUJFWSA-N -1 3 383.368 0.114 20 0 GCADHM CN1CC[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1=O ZINC000826022420 609286887 /nfs/dbraw/zinc/28/68/87/609286887.db2.gz MTWGKCNLWBWCCX-JTQLQIEISA-N -1 3 384.375 0.998 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826359838 609289712 /nfs/dbraw/zinc/28/97/12/609289712.db2.gz RLBFQXMOXXTWRF-UHFFFAOYSA-N -1 3 395.358 0.881 20 0 GCADHM COC(=O)[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)c1cccnc1 ZINC000826104596 609295611 /nfs/dbraw/zinc/29/56/11/609295611.db2.gz ZXANCLRWHYCJAT-INIZCTEOSA-N -1 3 398.379 0.680 20 0 GCADHM COC(=O)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)c1cccnc1 ZINC000826104596 609295613 /nfs/dbraw/zinc/29/56/13/609295613.db2.gz ZXANCLRWHYCJAT-INIZCTEOSA-N -1 3 398.379 0.680 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCc1nnc(C2CC2)n1C ZINC000826174682 609296525 /nfs/dbraw/zinc/29/65/25/609296525.db2.gz GADXUMMJHLPQKV-UHFFFAOYSA-N -1 3 384.400 0.576 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCc1nnc(C2CC2)n1C ZINC000826174682 609296526 /nfs/dbraw/zinc/29/65/26/609296526.db2.gz GADXUMMJHLPQKV-UHFFFAOYSA-N -1 3 384.400 0.576 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825663434 609298341 /nfs/dbraw/zinc/29/83/41/609298341.db2.gz ONWXBEIYHHLTSQ-UHFFFAOYSA-N -1 3 386.865 0.922 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825663434 609298343 /nfs/dbraw/zinc/29/83/43/609298343.db2.gz ONWXBEIYHHLTSQ-UHFFFAOYSA-N -1 3 386.865 0.922 20 0 GCADHM COC(=O)CN(CCc1ccccc1)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826138256 609300712 /nfs/dbraw/zinc/30/07/12/609300712.db2.gz MIXQRAFNXNTYGE-UHFFFAOYSA-N -1 3 395.423 0.918 20 0 GCADHM COC(=O)CN(CCc1ccccc1)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826138256 609300714 /nfs/dbraw/zinc/30/07/14/609300714.db2.gz MIXQRAFNXNTYGE-UHFFFAOYSA-N -1 3 395.423 0.918 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826223561 609301434 /nfs/dbraw/zinc/30/14/34/609301434.db2.gz RJEAGYWVSDFQKQ-SNVBAGLBSA-N -1 3 384.849 0.674 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826223561 609301436 /nfs/dbraw/zinc/30/14/36/609301436.db2.gz RJEAGYWVSDFQKQ-SNVBAGLBSA-N -1 3 384.849 0.674 20 0 GCADHM Cn1cc([C@H]2NC(=O)[C@@H]3CSCCN32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359355 609303037 /nfs/dbraw/zinc/30/30/37/609303037.db2.gz DSMDZZPEKZVXNF-BBRMVZONSA-N -1 3 382.453 0.813 20 0 GCADHM Cn1cc([C@H]2NC(=O)[C@@H]3CSCCN32)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359355 609303039 /nfs/dbraw/zinc/30/30/39/609303039.db2.gz DSMDZZPEKZVXNF-BBRMVZONSA-N -1 3 382.453 0.813 20 0 GCADHM Cn1cc([C@H]2NC(=O)[C@H]3CSCCN32)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359356 609303098 /nfs/dbraw/zinc/30/30/98/609303098.db2.gz DSMDZZPEKZVXNF-CJNGLKHVSA-N -1 3 382.453 0.813 20 0 GCADHM Cn1cc([C@H]2NC(=O)[C@H]3CSCCN32)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359356 609303099 /nfs/dbraw/zinc/30/30/99/609303099.db2.gz DSMDZZPEKZVXNF-CJNGLKHVSA-N -1 3 382.453 0.813 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)Nc2ccccc2-n2ncc(-c3nnn[n-]3)c2N)C1 ZINC000824963009 609309237 /nfs/dbraw/zinc/30/92/37/609309237.db2.gz YPBPRBLJDGGTIB-SNVBAGLBSA-N -1 3 389.445 0.633 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)Nc2ccccc2-n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824963009 609309240 /nfs/dbraw/zinc/30/92/40/609309240.db2.gz YPBPRBLJDGGTIB-SNVBAGLBSA-N -1 3 389.445 0.633 20 0 GCADHM Cn1ncc2c1nnn(Cc1ccc(-c3nnn[n-]3)cc1Br)c2=O ZINC000826366637 609311424 /nfs/dbraw/zinc/31/14/24/609311424.db2.gz RMDNHPNTQNZOOA-UHFFFAOYSA-N -1 3 388.189 0.516 20 0 GCADHM Cn1ncc2c1nnn(Cc1ccc(-c3nn[n-]n3)cc1Br)c2=O ZINC000826366637 609311425 /nfs/dbraw/zinc/31/14/25/609311425.db2.gz RMDNHPNTQNZOOA-UHFFFAOYSA-N -1 3 388.189 0.516 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)nn1 ZINC000824707734 609312043 /nfs/dbraw/zinc/31/20/43/609312043.db2.gz VCPJVFCMQRMVNV-SECBINFHSA-N -1 3 398.362 0.475 20 0 GCADHM Cn1c(=O)[nH]cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1=O ZINC000826354796 609313668 /nfs/dbraw/zinc/31/36/68/609313668.db2.gz VFDFDSVVBAWSQY-UHFFFAOYSA-N -1 3 397.330 0.243 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)C1 ZINC000824961367 609313672 /nfs/dbraw/zinc/31/36/72/609313672.db2.gz CCIQBBRMJNARGG-GFCCVEGCSA-N -1 3 395.464 0.714 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC000824961367 609313675 /nfs/dbraw/zinc/31/36/75/609313675.db2.gz CCIQBBRMJNARGG-GFCCVEGCSA-N -1 3 395.464 0.714 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000824961529 609315399 /nfs/dbraw/zinc/31/53/99/609315399.db2.gz DDCLCHRENRLIQD-CYBMUJFWSA-N -1 3 377.474 0.575 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000824961529 609315400 /nfs/dbraw/zinc/31/54/00/609315400.db2.gz DDCLCHRENRLIQD-CYBMUJFWSA-N -1 3 377.474 0.575 20 0 GCADHM O=C(Cn1cccnc1=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826424382 609315421 /nfs/dbraw/zinc/31/54/21/609315421.db2.gz JYVVCGZJYPHIEC-UHFFFAOYSA-N -1 3 381.331 0.387 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000824961921 609315763 /nfs/dbraw/zinc/31/57/63/609315763.db2.gz KYMPFYSCYADMOD-AWEZNQCLSA-N -1 3 391.501 0.965 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000824961921 609315765 /nfs/dbraw/zinc/31/57/65/609315765.db2.gz KYMPFYSCYADMOD-AWEZNQCLSA-N -1 3 391.501 0.965 20 0 GCADHM CC(C)[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)CCO1 ZINC000824223778 609315823 /nfs/dbraw/zinc/31/58/23/609315823.db2.gz LUXHPLBGALYOPG-INIZCTEOSA-N -1 3 399.455 0.945 20 0 GCADHM CC(C)[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)CCO1 ZINC000824223778 609315825 /nfs/dbraw/zinc/31/58/25/609315825.db2.gz LUXHPLBGALYOPG-INIZCTEOSA-N -1 3 399.455 0.945 20 0 GCADHM CC(C)CN(C)S(=O)(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824255189 609315845 /nfs/dbraw/zinc/31/58/45/609315845.db2.gz BXMMPZHCISFHBG-UHFFFAOYSA-N -1 3 379.490 0.821 20 0 GCADHM CC(C)CN(C)S(=O)(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824255189 609315847 /nfs/dbraw/zinc/31/58/47/609315847.db2.gz BXMMPZHCISFHBG-UHFFFAOYSA-N -1 3 379.490 0.821 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826129190 609329043 /nfs/dbraw/zinc/32/90/43/609329043.db2.gz LYLVDPHBLFEDSV-KBPBESRZSA-N -1 3 395.441 0.349 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826129190 609329045 /nfs/dbraw/zinc/32/90/45/609329045.db2.gz LYLVDPHBLFEDSV-KBPBESRZSA-N -1 3 395.441 0.349 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826129652 609329474 /nfs/dbraw/zinc/32/94/74/609329474.db2.gz XQUSQHYEOPWWIC-DGCLKSJQSA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826129652 609329476 /nfs/dbraw/zinc/32/94/76/609329476.db2.gz XQUSQHYEOPWWIC-DGCLKSJQSA-N -1 3 381.414 0.208 20 0 GCADHM COCC(=O)N(C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826147999 609347935 /nfs/dbraw/zinc/34/79/35/609347935.db2.gz UTCGOBBUYYGNFF-UHFFFAOYSA-N -1 3 398.217 0.777 20 0 GCADHM COCC(=O)N(C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826147999 609347937 /nfs/dbraw/zinc/34/79/37/609347937.db2.gz UTCGOBBUYYGNFF-UHFFFAOYSA-N -1 3 398.217 0.777 20 0 GCADHM C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824899441 609352162 /nfs/dbraw/zinc/35/21/62/609352162.db2.gz JWKANLZDMDYVEV-VHSXEESVSA-N -1 3 384.375 0.902 20 0 GCADHM CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@H]1CCN(C)C1=O ZINC000826021647 609356456 /nfs/dbraw/zinc/35/64/56/609356456.db2.gz BLUMCPRLWBPRRV-LBPRGKRZSA-N -1 3 399.390 0.886 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)NCC1CC1 ZINC000826411948 609357278 /nfs/dbraw/zinc/35/72/78/609357278.db2.gz UWSXSXFUYVEJOG-UHFFFAOYSA-N -1 3 377.792 0.101 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)NCC1CC1 ZINC000826411948 609357281 /nfs/dbraw/zinc/35/72/81/609357281.db2.gz UWSXSXFUYVEJOG-UHFFFAOYSA-N -1 3 377.792 0.101 20 0 GCADHM CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@@H]1CCNC1=O ZINC000825820576 609359024 /nfs/dbraw/zinc/35/90/24/609359024.db2.gz LJBRNOGWVWXLCB-LLVKDONJSA-N -1 3 385.363 0.544 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1CCO[C@H](CO)C1 ZINC000826458055 609359583 /nfs/dbraw/zinc/35/95/83/609359583.db2.gz ARDYGNJPYPXEPP-JTQLQIEISA-N -1 3 388.363 0.417 20 0 GCADHM CC(C)(CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(N)=O ZINC000824157770 609359889 /nfs/dbraw/zinc/35/98/89/609359889.db2.gz LCNKCSWYUCWONK-UHFFFAOYSA-N -1 3 387.379 0.825 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824466580 609360484 /nfs/dbraw/zinc/36/04/84/609360484.db2.gz YKIFUQPKWIFDQB-SNVBAGLBSA-N -1 3 397.378 0.993 20 0 GCADHM CC(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2Br)CCO1 ZINC000823994865 609361129 /nfs/dbraw/zinc/36/11/29/609361129.db2.gz QISSVVYOSMXQTH-ZDUSSCGKSA-N -1 3 395.261 0.966 20 0 GCADHM CC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000823994865 609361131 /nfs/dbraw/zinc/36/11/31/609361131.db2.gz QISSVVYOSMXQTH-ZDUSSCGKSA-N -1 3 395.261 0.966 20 0 GCADHM O=C(NC[C@@H]1COCCO1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826435081 609361425 /nfs/dbraw/zinc/36/14/25/609361425.db2.gz GDPVYDDNTNEQTD-SNVBAGLBSA-N -1 3 388.363 0.728 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826059992 609364024 /nfs/dbraw/zinc/36/40/24/609364024.db2.gz DQSLMUDRJYLSBL-LBPRGKRZSA-N -1 3 399.390 0.934 20 0 GCADHM COC[C@@](C)(CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826148324 609364247 /nfs/dbraw/zinc/36/42/47/609364247.db2.gz FRFMAUPIFRGBSF-MRXNPFEDSA-N -1 3 390.379 0.710 20 0 GCADHM O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826398971 609366542 /nfs/dbraw/zinc/36/65/42/609366542.db2.gz JLUXTUSWOOYWMW-UHFFFAOYSA-N -1 3 390.469 0.687 20 0 GCADHM O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826398971 609366545 /nfs/dbraw/zinc/36/65/45/609366545.db2.gz JLUXTUSWOOYWMW-UHFFFAOYSA-N -1 3 390.469 0.687 20 0 GCADHM COC[C@@H](CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)OC ZINC000826150126 609368470 /nfs/dbraw/zinc/36/84/70/609368470.db2.gz XCMVBQFPYDVWKD-GFCCVEGCSA-N -1 3 392.416 0.370 20 0 GCADHM COC[C@@H](CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)OC ZINC000826150126 609368473 /nfs/dbraw/zinc/36/84/73/609368473.db2.gz XCMVBQFPYDVWKD-GFCCVEGCSA-N -1 3 392.416 0.370 20 0 GCADHM CN(C)C(=O)CC1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825840758 609368567 /nfs/dbraw/zinc/36/85/67/609368567.db2.gz QPCJFBYLUYTWFR-UHFFFAOYSA-N -1 3 385.428 0.522 20 0 GCADHM CN(C)C(=O)CC1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825840758 609368569 /nfs/dbraw/zinc/36/85/69/609368569.db2.gz QPCJFBYLUYTWFR-UHFFFAOYSA-N -1 3 385.428 0.522 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(CC(=O)N(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000826241121 609368687 /nfs/dbraw/zinc/36/86/87/609368687.db2.gz RXXUBUZSSGFXQE-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(CC(=O)N(C)C)CC2)cccc1-c1nn[n-]n1 ZINC000826241121 609368688 /nfs/dbraw/zinc/36/86/88/609368688.db2.gz RXXUBUZSSGFXQE-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000826129630 609368883 /nfs/dbraw/zinc/36/88/83/609368883.db2.gz XCSBWQKIDCCTHD-NEPJUHHUSA-N -1 3 392.416 0.667 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826129524 609368978 /nfs/dbraw/zinc/36/89/78/609368978.db2.gz UICKJRUJLQAFDV-DOMZBBRYSA-N -1 3 388.428 0.848 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826129524 609368981 /nfs/dbraw/zinc/36/89/81/609368981.db2.gz UICKJRUJLQAFDV-DOMZBBRYSA-N -1 3 388.428 0.848 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826129595 609369175 /nfs/dbraw/zinc/36/91/75/609369175.db2.gz VYYXBRGLGMGVTI-LSDHHAIUSA-N -1 3 388.428 0.848 20 0 GCADHM Cc1n[nH]cc1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826322331 609369344 /nfs/dbraw/zinc/36/93/44/609369344.db2.gz IFQFYFFNIPMKTC-UHFFFAOYSA-N -1 3 396.346 0.800 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000826393402 609376920 /nfs/dbraw/zinc/37/69/20/609376920.db2.gz QKRHDFVIOWTRSI-UHFFFAOYSA-N -1 3 392.423 0.713 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000826393402 609376923 /nfs/dbraw/zinc/37/69/23/609376923.db2.gz QKRHDFVIOWTRSI-UHFFFAOYSA-N -1 3 392.423 0.713 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826401742 609388839 /nfs/dbraw/zinc/38/88/39/609388839.db2.gz FYSIQGYDXHFWKU-FUTAKVPZSA-N -1 3 398.467 0.830 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826401742 609388842 /nfs/dbraw/zinc/38/88/42/609388842.db2.gz FYSIQGYDXHFWKU-FUTAKVPZSA-N -1 3 398.467 0.830 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826359130 609393045 /nfs/dbraw/zinc/39/30/45/609393045.db2.gz WWJYPHLYQFKYPB-CVEARBPZSA-N -1 3 382.428 0.419 20 0 GCADHM C[C@H](OC(=O)c1cccc(C(N)=O)n1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824723548 609394422 /nfs/dbraw/zinc/39/44/22/609394422.db2.gz RXWRTAFQDUXRJX-VIFPVBQESA-N -1 3 381.352 0.545 20 0 GCADHM C[C@H](OC(=O)c1cccc(C(N)=O)n1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824723548 609394424 /nfs/dbraw/zinc/39/44/24/609394424.db2.gz RXWRTAFQDUXRJX-VIFPVBQESA-N -1 3 381.352 0.545 20 0 GCADHM NC(=O)c1cccc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)n1 ZINC000826393065 609395864 /nfs/dbraw/zinc/39/58/64/609395864.db2.gz ABLZKMJFFWUZFZ-UHFFFAOYSA-N -1 3 392.335 0.768 20 0 GCADHM NC(=O)c1cccc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)n1 ZINC000826393065 609395866 /nfs/dbraw/zinc/39/58/66/609395866.db2.gz ABLZKMJFFWUZFZ-UHFFFAOYSA-N -1 3 392.335 0.768 20 0 GCADHM NC(=O)c1cccc(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826393456 609395972 /nfs/dbraw/zinc/39/59/72/609395972.db2.gz SSYGBYBGPNOQJC-CQSZACIVSA-N -1 3 393.363 0.323 20 0 GCADHM NC(=O)c1cccc(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826393456 609395975 /nfs/dbraw/zinc/39/59/75/609395975.db2.gz SSYGBYBGPNOQJC-CQSZACIVSA-N -1 3 393.363 0.323 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826129201 609398367 /nfs/dbraw/zinc/39/83/67/609398367.db2.gz MBMDUYKXBBYXJI-KOLCDFICSA-N -1 3 380.792 0.708 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826129201 609398370 /nfs/dbraw/zinc/39/83/70/609398370.db2.gz MBMDUYKXBBYXJI-KOLCDFICSA-N -1 3 380.792 0.708 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826129202 609398910 /nfs/dbraw/zinc/39/89/10/609398910.db2.gz MBMDUYKXBBYXJI-MWLCHTKSSA-N -1 3 380.792 0.708 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826129202 609398913 /nfs/dbraw/zinc/39/89/13/609398913.db2.gz MBMDUYKXBBYXJI-MWLCHTKSSA-N -1 3 380.792 0.708 20 0 GCADHM CCN(Cc1cn(C)nn1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825439469 609400171 /nfs/dbraw/zinc/40/01/71/609400171.db2.gz CYJSROYONDDPOM-UHFFFAOYSA-N -1 3 380.409 0.486 20 0 GCADHM CCN(Cc1cn(C)nn1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825439469 609400174 /nfs/dbraw/zinc/40/01/74/609400174.db2.gz CYJSROYONDDPOM-UHFFFAOYSA-N -1 3 380.409 0.486 20 0 GCADHM COC[C@H](NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C)C(=O)OC ZINC000826151326 609404773 /nfs/dbraw/zinc/40/47/73/609404773.db2.gz ZAMBWGDRSALUKR-GXTWGEPZSA-N -1 3 377.401 0.574 20 0 GCADHM COC[C@H](NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C)C(=O)OC ZINC000826151326 609404775 /nfs/dbraw/zinc/40/47/75/609404775.db2.gz ZAMBWGDRSALUKR-GXTWGEPZSA-N -1 3 377.401 0.574 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)c1ccc(F)cc1 ZINC000826411957 609407246 /nfs/dbraw/zinc/40/72/46/609407246.db2.gz VHYDHYSAGCAKLC-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)c1ccc(F)cc1 ZINC000826411957 609407248 /nfs/dbraw/zinc/40/72/48/609407248.db2.gz VHYDHYSAGCAKLC-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM Nc1nc(N)nc(S[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826396118 609409528 /nfs/dbraw/zinc/40/95/28/609409528.db2.gz HQPZNOXFMGGQBQ-JTQLQIEISA-N -1 3 384.429 0.504 20 0 GCADHM Nc1nc(N)nc(S[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826396118 609409530 /nfs/dbraw/zinc/40/95/30/609409530.db2.gz HQPZNOXFMGGQBQ-JTQLQIEISA-N -1 3 384.429 0.504 20 0 GCADHM CC[C@@](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)(C(N)=O)C(C)C ZINC000825134791 609410244 /nfs/dbraw/zinc/41/02/44/609410244.db2.gz WSXGQQANERNRPU-KRWDZBQOSA-N -1 3 376.417 0.660 20 0 GCADHM CC[C@@](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)(C(N)=O)C(C)C ZINC000825134791 609410245 /nfs/dbraw/zinc/41/02/45/609410245.db2.gz WSXGQQANERNRPU-KRWDZBQOSA-N -1 3 376.417 0.660 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cn(C)c1=O ZINC000826269224 609414555 /nfs/dbraw/zinc/41/45/55/609414555.db2.gz FNKWHZKUHXESBR-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cn(C)c1=O ZINC000826269224 609414556 /nfs/dbraw/zinc/41/45/56/609414556.db2.gz FNKWHZKUHXESBR-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000824019574 609420246 /nfs/dbraw/zinc/42/02/46/609420246.db2.gz GWOJNMQCJMGQCD-AWEZNQCLSA-N -1 3 390.469 0.378 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000824019574 609420248 /nfs/dbraw/zinc/42/02/48/609420248.db2.gz GWOJNMQCJMGQCD-AWEZNQCLSA-N -1 3 390.469 0.378 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826470272 609423626 /nfs/dbraw/zinc/42/36/26/609423626.db2.gz KMTYKTTWCAAPDB-UHFFFAOYSA-N -1 3 382.471 0.615 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826470272 609423629 /nfs/dbraw/zinc/42/36/29/609423629.db2.gz KMTYKTTWCAAPDB-UHFFFAOYSA-N -1 3 382.471 0.615 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826422637 609423689 /nfs/dbraw/zinc/42/36/89/609423689.db2.gz GYXAJFZQBDVREM-UHFFFAOYSA-N -1 3 390.469 0.482 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826422637 609423691 /nfs/dbraw/zinc/42/36/91/609423691.db2.gz GYXAJFZQBDVREM-UHFFFAOYSA-N -1 3 390.469 0.482 20 0 GCADHM COc1ccccc1[C@@H](CO)NCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826218738 609424527 /nfs/dbraw/zinc/42/45/27/609424527.db2.gz JVHYKICRVJOUJW-MRXNPFEDSA-N -1 3 382.424 0.815 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)n(C)c1 ZINC000825875274 609425503 /nfs/dbraw/zinc/42/55/03/609425503.db2.gz IDAWTVLSLLUFDV-UHFFFAOYSA-N -1 3 389.441 0.386 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)n(C)c1 ZINC000825875274 609425505 /nfs/dbraw/zinc/42/55/05/609425505.db2.gz IDAWTVLSLLUFDV-UHFFFAOYSA-N -1 3 389.441 0.386 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000826060998 609428350 /nfs/dbraw/zinc/42/83/50/609428350.db2.gz XZXXWHHJMPHGJJ-SNVBAGLBSA-N -1 3 385.211 0.761 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000826060998 609428353 /nfs/dbraw/zinc/42/83/53/609428353.db2.gz XZXXWHHJMPHGJJ-SNVBAGLBSA-N -1 3 385.211 0.761 20 0 GCADHM CNC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000826060333 609430268 /nfs/dbraw/zinc/43/02/68/609430268.db2.gz LCCCKWONXCJRAW-NOZJJQNGSA-N -1 3 393.835 0.294 20 0 GCADHM CNC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000826060333 609430271 /nfs/dbraw/zinc/43/02/71/609430271.db2.gz LCCCKWONXCJRAW-NOZJJQNGSA-N -1 3 393.835 0.294 20 0 GCADHM CNC(=O)[C@H]1CN(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000826060207 609430362 /nfs/dbraw/zinc/43/03/62/609430362.db2.gz IPYZHDFEDILUFZ-CYBMUJFWSA-N -1 3 393.835 0.296 20 0 GCADHM CNC(=O)[C@H]1CN(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000826060207 609430363 /nfs/dbraw/zinc/43/03/63/609430363.db2.gz IPYZHDFEDILUFZ-CYBMUJFWSA-N -1 3 393.835 0.296 20 0 GCADHM O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826480109 609438532 /nfs/dbraw/zinc/43/85/32/609438532.db2.gz RFZADCWTCXROPF-ZIAGYGMSSA-N -1 3 377.426 0.625 20 0 GCADHM O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826480109 609438533 /nfs/dbraw/zinc/43/85/33/609438533.db2.gz RFZADCWTCXROPF-ZIAGYGMSSA-N -1 3 377.426 0.625 20 0 GCADHM O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826480108 609438952 /nfs/dbraw/zinc/43/89/52/609438952.db2.gz RFZADCWTCXROPF-UONOGXRCSA-N -1 3 377.426 0.625 20 0 GCADHM O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826480108 609438954 /nfs/dbraw/zinc/43/89/54/609438954.db2.gz RFZADCWTCXROPF-UONOGXRCSA-N -1 3 377.426 0.625 20 0 GCADHM O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826480314 609439008 /nfs/dbraw/zinc/43/90/08/609439008.db2.gz XIEYSELVDDPZIC-HUUCEWRRSA-N -1 3 391.453 0.767 20 0 GCADHM O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826480314 609439010 /nfs/dbraw/zinc/43/90/10/609439010.db2.gz XIEYSELVDDPZIC-HUUCEWRRSA-N -1 3 391.453 0.767 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826255407 609446455 /nfs/dbraw/zinc/44/64/55/609446455.db2.gz XKMANMWDEXGHGJ-ZDUSSCGKSA-N -1 3 388.457 0.868 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826255407 609446456 /nfs/dbraw/zinc/44/64/56/609446456.db2.gz XKMANMWDEXGHGJ-ZDUSSCGKSA-N -1 3 388.457 0.868 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1-c1nnn[n-]1 ZINC000826302066 609446498 /nfs/dbraw/zinc/44/64/98/609446498.db2.gz ZEYGUYLMDGKGQG-CYBMUJFWSA-N -1 3 388.457 0.868 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](Cn3cncn3)C2)c1-c1nn[n-]n1 ZINC000826302066 609446499 /nfs/dbraw/zinc/44/64/99/609446499.db2.gz ZEYGUYLMDGKGQG-CYBMUJFWSA-N -1 3 388.457 0.868 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000826255406 609446692 /nfs/dbraw/zinc/44/66/92/609446692.db2.gz XKMANMWDEXGHGJ-CYBMUJFWSA-N -1 3 388.457 0.868 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000826255406 609446695 /nfs/dbraw/zinc/44/66/95/609446695.db2.gz XKMANMWDEXGHGJ-CYBMUJFWSA-N -1 3 388.457 0.868 20 0 GCADHM O=C(CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)N1CCNC1=O ZINC000826414498 609447331 /nfs/dbraw/zinc/44/73/31/609447331.db2.gz ZEBMYDYTJARSMS-UHFFFAOYSA-N -1 3 387.791 0.670 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000826469050 609447418 /nfs/dbraw/zinc/44/74/18/609447418.db2.gz SGTKGSBPHOOWKJ-NEPJUHHUSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000826469050 609447421 /nfs/dbraw/zinc/44/74/21/609447421.db2.gz SGTKGSBPHOOWKJ-NEPJUHHUSA-N -1 3 380.430 0.003 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826494525 609447523 /nfs/dbraw/zinc/44/75/23/609447523.db2.gz GNRKXCJSLWYXJB-NSHDSACASA-N -1 3 392.420 0.698 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826494525 609447525 /nfs/dbraw/zinc/44/75/25/609447525.db2.gz GNRKXCJSLWYXJB-NSHDSACASA-N -1 3 392.420 0.698 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)CN1C[C@H](C(=O)OC)CC1=O ZINC000826158840 609459201 /nfs/dbraw/zinc/45/92/01/609459201.db2.gz FNMNMEKHXAEHEA-OAHLLOKOSA-N -1 3 388.428 0.294 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)CN1C[C@H](C(=O)OC)CC1=O ZINC000826158840 609459204 /nfs/dbraw/zinc/45/92/04/609459204.db2.gz FNMNMEKHXAEHEA-OAHLLOKOSA-N -1 3 388.428 0.294 20 0 GCADHM O=C(CNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)NCC1CC1 ZINC000826411803 609463267 /nfs/dbraw/zinc/46/32/67/609463267.db2.gz OCWPGSCYBLQINM-OAHLLOKOSA-N -1 3 385.428 0.476 20 0 GCADHM O=C(CNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)NCC1CC1 ZINC000826411803 609463268 /nfs/dbraw/zinc/46/32/68/609463268.db2.gz OCWPGSCYBLQINM-OAHLLOKOSA-N -1 3 385.428 0.476 20 0 GCADHM CN1CCC[C@@H](OC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1=O ZINC000826033545 609464621 /nfs/dbraw/zinc/46/46/21/609464621.db2.gz GUFVQWKRTANGMO-CYBMUJFWSA-N -1 3 382.384 0.412 20 0 GCADHM CN1CCC[C@@H](OC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1=O ZINC000826033545 609464622 /nfs/dbraw/zinc/46/46/22/609464622.db2.gz GUFVQWKRTANGMO-CYBMUJFWSA-N -1 3 382.384 0.412 20 0 GCADHM O=C(CNC(=O)C1CC1)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826411736 609465398 /nfs/dbraw/zinc/46/53/98/609465398.db2.gz KPDPXDBPFIJHDV-AWEZNQCLSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(CNC(=O)C1CC1)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826411736 609465400 /nfs/dbraw/zinc/46/54/00/609465400.db2.gz KPDPXDBPFIJHDV-AWEZNQCLSA-N -1 3 384.396 0.432 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826129664 609467120 /nfs/dbraw/zinc/46/71/20/609467120.db2.gz XZCUDHVBPZLIKN-MGPQQGTHSA-N -1 3 385.380 0.714 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826129664 609467122 /nfs/dbraw/zinc/46/71/22/609467122.db2.gz XZCUDHVBPZLIKN-MGPQQGTHSA-N -1 3 385.380 0.714 20 0 GCADHM O=C1CN(CN2CCOCC3(CC3)C2)C(=O)N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826480988 609467426 /nfs/dbraw/zinc/46/74/26/609467426.db2.gz AUDOHLOXAJAJKB-UHFFFAOYSA-N -1 3 397.439 0.701 20 0 GCADHM O=C1CN(CN2CCOCC3(CC3)C2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826480988 609467427 /nfs/dbraw/zinc/46/74/27/609467427.db2.gz AUDOHLOXAJAJKB-UHFFFAOYSA-N -1 3 397.439 0.701 20 0 GCADHM CCC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CCN1CCOC ZINC000825251880 609467719 /nfs/dbraw/zinc/46/77/19/609467719.db2.gz FPSJBXGUDGYUHC-CYBMUJFWSA-N -1 3 377.449 0.665 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824678017 609467836 /nfs/dbraw/zinc/46/78/36/609467836.db2.gz KANGNCWHENRZQN-SJCJKPOMSA-N -1 3 396.451 0.758 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824678017 609467837 /nfs/dbraw/zinc/46/78/37/609467837.db2.gz KANGNCWHENRZQN-SJCJKPOMSA-N -1 3 396.451 0.758 20 0 GCADHM C[C@H](O)c1cn(C2CN(C(=O)CSc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000824706976 609471381 /nfs/dbraw/zinc/47/13/81/609471381.db2.gz MWLITHMGJHOTRP-JTQLQIEISA-N -1 3 386.441 0.687 20 0 GCADHM C[C@H](O)c1cn(C2CN(C(=O)CSc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000824706976 609471382 /nfs/dbraw/zinc/47/13/82/609471382.db2.gz MWLITHMGJHOTRP-JTQLQIEISA-N -1 3 386.441 0.687 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)C2)nn1 ZINC000824744618 609471640 /nfs/dbraw/zinc/47/16/40/609471640.db2.gz CITVTQBJUZTXJW-GHMZBOCLSA-N -1 3 384.400 0.362 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC000824744618 609471642 /nfs/dbraw/zinc/47/16/42/609471642.db2.gz CITVTQBJUZTXJW-GHMZBOCLSA-N -1 3 384.400 0.362 20 0 GCADHM C[C@H](O)c1cn(C2CN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2)nn1 ZINC000824706841 609471957 /nfs/dbraw/zinc/47/19/57/609471957.db2.gz KCJIMMLVUWPHDI-ZETCQYMHSA-N -1 3 376.327 0.487 20 0 GCADHM C[C@H](O)c1cn(C2CN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2)nn1 ZINC000824706841 609471959 /nfs/dbraw/zinc/47/19/59/609471959.db2.gz KCJIMMLVUWPHDI-ZETCQYMHSA-N -1 3 376.327 0.487 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)Nc1cc(C)nn1C ZINC000826161881 609482584 /nfs/dbraw/zinc/48/25/84/609482584.db2.gz DCFFRNSTGIWRAQ-UHFFFAOYSA-N -1 3 386.416 0.984 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)Nc1cc(C)nn1C ZINC000826161881 609482586 /nfs/dbraw/zinc/48/25/86/609482586.db2.gz DCFFRNSTGIWRAQ-UHFFFAOYSA-N -1 3 386.416 0.984 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000826471404 609487857 /nfs/dbraw/zinc/48/78/57/609487857.db2.gz YGKNAHZZPHHXFW-UHFFFAOYSA-N -1 3 399.436 0.412 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000826471404 609487859 /nfs/dbraw/zinc/48/78/59/609487859.db2.gz YGKNAHZZPHHXFW-UHFFFAOYSA-N -1 3 399.436 0.412 20 0 GCADHM O=S(=O)(C1CN(c2ccc(-c3nnn[n-]3)cn2)C1)N1CCc2ccccc21 ZINC000826484059 609494048 /nfs/dbraw/zinc/49/40/48/609494048.db2.gz MBMAFCCDIZZFAG-UHFFFAOYSA-N -1 3 383.437 0.843 20 0 GCADHM O=S(=O)(C1CN(c2ccc(-c3nn[n-]n3)cn2)C1)N1CCc2ccccc21 ZINC000826484059 609494049 /nfs/dbraw/zinc/49/40/49/609494049.db2.gz MBMAFCCDIZZFAG-UHFFFAOYSA-N -1 3 383.437 0.843 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000826357524 609495996 /nfs/dbraw/zinc/49/59/96/609495996.db2.gz IOBWIMOBHAXVJP-AWEZNQCLSA-N -1 3 380.412 0.521 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000826357524 609495997 /nfs/dbraw/zinc/49/59/97/609495997.db2.gz IOBWIMOBHAXVJP-AWEZNQCLSA-N -1 3 380.412 0.521 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CCO2)no1 ZINC000826324751 609497024 /nfs/dbraw/zinc/49/70/24/609497024.db2.gz DDSZIVSCGQYTMQ-LLVKDONJSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CCO2)no1 ZINC000826324751 609497026 /nfs/dbraw/zinc/49/70/26/609497026.db2.gz DDSZIVSCGQYTMQ-LLVKDONJSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)no1 ZINC000826324829 609497136 /nfs/dbraw/zinc/49/71/36/609497136.db2.gz GLFOIRDLDXTMMB-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)no1 ZINC000826324829 609497138 /nfs/dbraw/zinc/49/71/38/609497138.db2.gz GLFOIRDLDXTMMB-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@H]2COCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)no1 ZINC000826324667 609497205 /nfs/dbraw/zinc/49/72/05/609497205.db2.gz AHIHIKQLJFTFDJ-SNVBAGLBSA-N -1 3 376.402 0.632 20 0 GCADHM Cc1nc([C@H]2COCCN2CC(=O)Nc2sccc2-c2nn[n-]n2)no1 ZINC000826324667 609497207 /nfs/dbraw/zinc/49/72/07/609497207.db2.gz AHIHIKQLJFTFDJ-SNVBAGLBSA-N -1 3 376.402 0.632 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccccc2-c2nnn[n-]2)no1 ZINC000826325221 609497323 /nfs/dbraw/zinc/49/73/23/609497323.db2.gz REUZOYFEEVOEMM-LLVKDONJSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccccc2-c2nn[n-]n2)no1 ZINC000826325221 609497325 /nfs/dbraw/zinc/49/73/25/609497325.db2.gz REUZOYFEEVOEMM-LLVKDONJSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@@H]2COCCN2CC(=O)Nc2sccc2-c2nnn[n-]2)no1 ZINC000826324666 609497329 /nfs/dbraw/zinc/49/73/29/609497329.db2.gz AHIHIKQLJFTFDJ-JTQLQIEISA-N -1 3 376.402 0.632 20 0 GCADHM Cc1nc([C@@H]2COCCN2CC(=O)Nc2sccc2-c2nn[n-]n2)no1 ZINC000826324666 609497330 /nfs/dbraw/zinc/49/73/30/609497330.db2.gz AHIHIKQLJFTFDJ-JTQLQIEISA-N -1 3 376.402 0.632 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CC2 ZINC000669632507 609497938 /nfs/dbraw/zinc/49/79/38/609497938.db2.gz JACVRKZPMLRPDF-SECBINFHSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CC2 ZINC000669632507 609497940 /nfs/dbraw/zinc/49/79/40/609497940.db2.gz JACVRKZPMLRPDF-SECBINFHSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc([C@@H]2COCCN2CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)no1 ZINC000826325298 609498099 /nfs/dbraw/zinc/49/80/99/609498099.db2.gz TWXDWTVPOWQYAX-NSHDSACASA-N -1 3 388.388 0.780 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000824364508 609498515 /nfs/dbraw/zinc/49/85/15/609498515.db2.gz JFZKGPPLCHCZES-GFCCVEGCSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000824364508 609498517 /nfs/dbraw/zinc/49/85/17/609498517.db2.gz JFZKGPPLCHCZES-GFCCVEGCSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nc([C@@H]2CN(C(=O)CNc3ccc(-c4nnn[n-]4)cn3)CCO2)no1 ZINC000824358193 609502048 /nfs/dbraw/zinc/50/20/48/609502048.db2.gz BIRZSKOZRCXFTK-LBPRGKRZSA-N -1 3 399.415 0.780 20 0 GCADHM CC(C)c1nc([C@@H]2CN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CCO2)no1 ZINC000824358193 609502050 /nfs/dbraw/zinc/50/20/50/609502050.db2.gz BIRZSKOZRCXFTK-LBPRGKRZSA-N -1 3 399.415 0.780 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826324951 609503644 /nfs/dbraw/zinc/50/36/44/609503644.db2.gz JJOBWURTAFSAKG-YGRLFVJLSA-N -1 3 385.384 0.926 20 0 GCADHM Cc1cc(C(=O)N2CCC(C(N)=O)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258084 609507324 /nfs/dbraw/zinc/50/73/24/609507324.db2.gz YWZAYCNFNPZVLH-UHFFFAOYSA-N -1 3 380.412 0.698 20 0 GCADHM Cc1cc(C(=O)N2CCC(C(N)=O)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258084 609507326 /nfs/dbraw/zinc/50/73/26/609507326.db2.gz YWZAYCNFNPZVLH-UHFFFAOYSA-N -1 3 380.412 0.698 20 0 GCADHM CC(C)C(=O)N1CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824178308 609511201 /nfs/dbraw/zinc/51/12/01/609511201.db2.gz PLPOUCLONVKSEM-UHFFFAOYSA-N -1 3 378.458 0.497 20 0 GCADHM CC(C)C(=O)N1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824178308 609511203 /nfs/dbraw/zinc/51/12/03/609511203.db2.gz PLPOUCLONVKSEM-UHFFFAOYSA-N -1 3 378.458 0.497 20 0 GCADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825395473 609511979 /nfs/dbraw/zinc/51/19/79/609511979.db2.gz PTDWCIBXTNQDAV-CYBMUJFWSA-N -1 3 385.471 0.206 20 0 GCADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825395473 609511980 /nfs/dbraw/zinc/51/19/80/609511980.db2.gz PTDWCIBXTNQDAV-CYBMUJFWSA-N -1 3 385.471 0.206 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000826485910 609512582 /nfs/dbraw/zinc/51/25/82/609512582.db2.gz HRTKOMJPFSWPOX-UHFFFAOYSA-N -1 3 399.480 0.909 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000826485910 609512583 /nfs/dbraw/zinc/51/25/83/609512583.db2.gz HRTKOMJPFSWPOX-UHFFFAOYSA-N -1 3 399.480 0.909 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000826174660 609514920 /nfs/dbraw/zinc/51/49/20/609514920.db2.gz FGBDZSXLIPSBHT-LBPRGKRZSA-N -1 3 395.441 0.338 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000826174660 609514923 /nfs/dbraw/zinc/51/49/23/609514923.db2.gz FGBDZSXLIPSBHT-LBPRGKRZSA-N -1 3 395.441 0.338 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)c1ccco1 ZINC000826437631 609537456 /nfs/dbraw/zinc/53/74/56/609537456.db2.gz UUJNMJQHTGKGFB-UHFFFAOYSA-N -1 3 396.816 0.821 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)c1ccco1 ZINC000826437631 609537458 /nfs/dbraw/zinc/53/74/58/609537458.db2.gz UUJNMJQHTGKGFB-UHFFFAOYSA-N -1 3 396.816 0.821 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824909860 609538662 /nfs/dbraw/zinc/53/86/62/609538662.db2.gz VKVURSDALWYUKM-SCZZXKLOSA-N -1 3 384.849 0.795 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824909860 609538664 /nfs/dbraw/zinc/53/86/64/609538664.db2.gz VKVURSDALWYUKM-SCZZXKLOSA-N -1 3 384.849 0.795 20 0 GCADHM CS(=O)(=O)c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000826224315 609539027 /nfs/dbraw/zinc/53/90/27/609539027.db2.gz ZJOSQKFZMRJBTL-UHFFFAOYSA-N -1 3 385.453 0.992 20 0 GCADHM CS(=O)(=O)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000826224315 609539028 /nfs/dbraw/zinc/53/90/28/609539028.db2.gz ZJOSQKFZMRJBTL-UHFFFAOYSA-N -1 3 385.453 0.992 20 0 GCADHM C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824413680 609540233 /nfs/dbraw/zinc/54/02/33/609540233.db2.gz OGQLXWVVDIDKKH-VIFPVBQESA-N -1 3 384.849 0.809 20 0 GCADHM C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824413680 609540236 /nfs/dbraw/zinc/54/02/36/609540236.db2.gz OGQLXWVVDIDKKH-VIFPVBQESA-N -1 3 384.849 0.809 20 0 GCADHM O=S(=O)(NCCc1nnc2n1CCC2)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826491519 609542016 /nfs/dbraw/zinc/54/20/16/609542016.db2.gz NAMXJBWIPSYRDQ-UHFFFAOYSA-N -1 3 394.848 0.579 20 0 GCADHM O=S(=O)(NCCc1nnc2n1CCC2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826491519 609542018 /nfs/dbraw/zinc/54/20/18/609542018.db2.gz NAMXJBWIPSYRDQ-UHFFFAOYSA-N -1 3 394.848 0.579 20 0 GCADHM CC(C)N1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1=O ZINC000824296952 609542939 /nfs/dbraw/zinc/54/29/39/609542939.db2.gz MWBZFJAMZQMKHC-JTQLQIEISA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1=O ZINC000824296952 609542942 /nfs/dbraw/zinc/54/29/42/609542942.db2.gz MWBZFJAMZQMKHC-JTQLQIEISA-N -1 3 384.849 0.808 20 0 GCADHM CNC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC000826052173 609543623 /nfs/dbraw/zinc/54/36/23/609543623.db2.gz PBHVNWDENDBYST-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM CNC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC000826052173 609543625 /nfs/dbraw/zinc/54/36/25/609543625.db2.gz PBHVNWDENDBYST-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM NC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826392142 609544251 /nfs/dbraw/zinc/54/42/51/609544251.db2.gz OMNZBTFIFRXMDF-UHFFFAOYSA-N -1 3 385.837 0.295 20 0 GCADHM NC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826392142 609544252 /nfs/dbraw/zinc/54/42/52/609544252.db2.gz OMNZBTFIFRXMDF-UHFFFAOYSA-N -1 3 385.837 0.295 20 0 GCADHM Cc1c(Cl)cnc(N2CCC[C@H](CNS(N)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826238112 609545242 /nfs/dbraw/zinc/54/52/42/609545242.db2.gz WTCOTSZNAJFPGL-SECBINFHSA-N -1 3 386.869 0.233 20 0 GCADHM Cc1c(Cl)cnc(N2CCC[C@H](CNS(N)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826238112 609545244 /nfs/dbraw/zinc/54/52/44/609545244.db2.gz WTCOTSZNAJFPGL-SECBINFHSA-N -1 3 386.869 0.233 20 0 GCADHM CC(C)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC000824296014 609546241 /nfs/dbraw/zinc/54/62/41/609546241.db2.gz CVMNKEFPVSRYPR-LLVKDONJSA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000824296014 609546243 /nfs/dbraw/zinc/54/62/43/609546243.db2.gz CVMNKEFPVSRYPR-LLVKDONJSA-N -1 3 384.849 0.808 20 0 GCADHM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826489498 609546280 /nfs/dbraw/zinc/54/62/80/609546280.db2.gz RBNYKQWDKJYENP-VIFPVBQESA-N -1 3 380.821 0.405 20 0 GCADHM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826489498 609546282 /nfs/dbraw/zinc/54/62/82/609546282.db2.gz RBNYKQWDKJYENP-VIFPVBQESA-N -1 3 380.821 0.405 20 0 GCADHM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826489497 609546311 /nfs/dbraw/zinc/54/63/11/609546311.db2.gz RBNYKQWDKJYENP-SECBINFHSA-N -1 3 380.821 0.405 20 0 GCADHM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826489497 609546314 /nfs/dbraw/zinc/54/63/14/609546314.db2.gz RBNYKQWDKJYENP-SECBINFHSA-N -1 3 380.821 0.405 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]1Cn1cncn1 ZINC000826494655 609546385 /nfs/dbraw/zinc/54/63/85/609546385.db2.gz KSCVRJXACAHXMA-NSHDSACASA-N -1 3 394.848 0.965 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]1Cn1cncn1 ZINC000826494655 609546388 /nfs/dbraw/zinc/54/63/88/609546388.db2.gz KSCVRJXACAHXMA-NSHDSACASA-N -1 3 394.848 0.965 20 0 GCADHM O=S(=O)(NCCN1CCSCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826491141 609546682 /nfs/dbraw/zinc/54/66/82/609546682.db2.gz VJKGDIQKTSYSJA-UHFFFAOYSA-N -1 3 388.906 0.847 20 0 GCADHM O=S(=O)(NCCN1CCSCC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826491141 609546683 /nfs/dbraw/zinc/54/66/83/609546683.db2.gz VJKGDIQKTSYSJA-UHFFFAOYSA-N -1 3 388.906 0.847 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCS1(=O)=O ZINC000824992272 609547416 /nfs/dbraw/zinc/54/74/16/609547416.db2.gz LHBBXVSDXHAIBO-MRVPVSSYSA-N -1 3 391.862 0.328 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCS1(=O)=O ZINC000824992272 609547417 /nfs/dbraw/zinc/54/74/17/609547417.db2.gz LHBBXVSDXHAIBO-MRVPVSSYSA-N -1 3 391.862 0.328 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1=O ZINC000824898529 609551297 /nfs/dbraw/zinc/55/12/97/609551297.db2.gz FNAAXBPLUATNLO-UISBYWKRSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1=O ZINC000824898529 609551300 /nfs/dbraw/zinc/55/13/00/609551300.db2.gz FNAAXBPLUATNLO-UISBYWKRSA-N -1 3 396.860 0.808 20 0 GCADHM O=S(=O)(NCCCO[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826491218 609556978 /nfs/dbraw/zinc/55/69/78/609556978.db2.gz YIABOOIIYUTBGQ-LLVKDONJSA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(NCCCO[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826491218 609556979 /nfs/dbraw/zinc/55/69/79/609556979.db2.gz YIABOOIIYUTBGQ-LLVKDONJSA-N -1 3 387.849 0.994 20 0 GCADHM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825471570 609558212 /nfs/dbraw/zinc/55/82/12/609558212.db2.gz WWMAUOVNIOPOQZ-JTQLQIEISA-N -1 3 399.864 0.602 20 0 GCADHM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825471570 609558214 /nfs/dbraw/zinc/55/82/14/609558214.db2.gz WWMAUOVNIOPOQZ-JTQLQIEISA-N -1 3 399.864 0.602 20 0 GCADHM CC[C@H](O)CN1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000825154867 609567218 /nfs/dbraw/zinc/56/72/18/609567218.db2.gz VEFFDSRGQFHTIL-ZDUSSCGKSA-N -1 3 380.474 0.252 20 0 GCADHM CC[C@H](O)CN1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000825154867 609567219 /nfs/dbraw/zinc/56/72/19/609567219.db2.gz VEFFDSRGQFHTIL-ZDUSSCGKSA-N -1 3 380.474 0.252 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826279127 609571564 /nfs/dbraw/zinc/57/15/64/609571564.db2.gz GLRCCIRAALGABO-GJZGRUSLSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826279127 609571567 /nfs/dbraw/zinc/57/15/67/609571567.db2.gz GLRCCIRAALGABO-GJZGRUSLSA-N -1 3 392.485 0.395 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826486433 609571991 /nfs/dbraw/zinc/57/19/91/609571991.db2.gz CKHMYTHELWDUHJ-HOTGVXAUSA-N -1 3 392.485 0.228 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826494664 609572570 /nfs/dbraw/zinc/57/25/70/609572570.db2.gz KYQPXMNBQPPTIG-KBPBESRZSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826494664 609572572 /nfs/dbraw/zinc/57/25/72/609572572.db2.gz KYQPXMNBQPPTIG-KBPBESRZSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826494666 609572640 /nfs/dbraw/zinc/57/26/40/609572640.db2.gz KYQPXMNBQPPTIG-UONOGXRCSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826494666 609572641 /nfs/dbraw/zinc/57/26/41/609572641.db2.gz KYQPXMNBQPPTIG-UONOGXRCSA-N -1 3 396.448 0.226 20 0 GCADHM Cc1cc(C(=O)NCC(=O)NCC2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259152 609583415 /nfs/dbraw/zinc/58/34/15/609583415.db2.gz JMUQGOZCAXAISH-UHFFFAOYSA-N -1 3 380.412 0.617 20 0 GCADHM Cc1cc(C(=O)NCC(=O)NCC2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259152 609583418 /nfs/dbraw/zinc/58/34/18/609583418.db2.gz JMUQGOZCAXAISH-UHFFFAOYSA-N -1 3 380.412 0.617 20 0 GCADHM CC(C)N1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1=O ZINC000824300287 609584429 /nfs/dbraw/zinc/58/44/29/609584429.db2.gz DWKIEKHOZKIYMH-UHFFFAOYSA-N -1 3 386.384 0.386 20 0 GCADHM CC(C)N1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1=O ZINC000824300287 609584432 /nfs/dbraw/zinc/58/44/32/609584432.db2.gz DWKIEKHOZKIYMH-UHFFFAOYSA-N -1 3 386.384 0.386 20 0 GCADHM CC(C)N(C)S(=O)(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824288301 609584499 /nfs/dbraw/zinc/58/44/99/609584499.db2.gz CGRMCQNYOQWWDK-AWEZNQCLSA-N -1 3 393.473 0.537 20 0 GCADHM CN(C1CC1)S(=O)(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825888223 609584864 /nfs/dbraw/zinc/58/48/64/609584864.db2.gz OWZCDKDHBHKICP-CQSZACIVSA-N -1 3 391.457 0.291 20 0 GCADHM CCN(C)S(=O)(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825390976 609586816 /nfs/dbraw/zinc/58/68/16/609586816.db2.gz QWRXANKYDOSMOD-CYBMUJFWSA-N -1 3 379.446 0.148 20 0 GCADHM CCN(C)S(=O)(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825390976 609586819 /nfs/dbraw/zinc/58/68/19/609586819.db2.gz QWRXANKYDOSMOD-CYBMUJFWSA-N -1 3 379.446 0.148 20 0 GCADHM O=C1[C@H](NS(=O)(=O)CC2CC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477026 609588053 /nfs/dbraw/zinc/58/80/53/609588053.db2.gz UKOKZIGZIJGOHY-CQSZACIVSA-N -1 3 376.442 0.692 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccccn2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477748 609588134 /nfs/dbraw/zinc/58/81/34/609588134.db2.gz KKYSIVJXWJDUJH-AWEZNQCLSA-N -1 3 399.436 0.736 20 0 GCADHM Cc1cc(C(=O)NC2(CC(N)=O)CCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258325 609593988 /nfs/dbraw/zinc/59/39/88/609593988.db2.gz HIENIYMYBDUGTA-UHFFFAOYSA-N -1 3 380.412 0.889 20 0 GCADHM Cc1cc(C(=O)NC2(CC(N)=O)CCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258325 609593991 /nfs/dbraw/zinc/59/39/91/609593991.db2.gz HIENIYMYBDUGTA-UHFFFAOYSA-N -1 3 380.412 0.889 20 0 GCADHM Cc1cc(C(=O)NC2(C(N)=O)CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258213 609598208 /nfs/dbraw/zinc/59/82/08/609598208.db2.gz DMJJCOAMCYKPCG-UHFFFAOYSA-N -1 3 396.411 0.125 20 0 GCADHM Cc1cc(C(=O)NC2(C(N)=O)CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258213 609598210 /nfs/dbraw/zinc/59/82/10/609598210.db2.gz DMJJCOAMCYKPCG-UHFFFAOYSA-N -1 3 396.411 0.125 20 0 GCADHM O=C(N[C@@H]1CCCOC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826430741 609603704 /nfs/dbraw/zinc/60/37/04/609603704.db2.gz JSBGILZQAVHDHW-UKRRQHHQSA-N -1 3 385.428 0.840 20 0 GCADHM O=C(N[C@@H]1CCCOC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826430741 609603707 /nfs/dbraw/zinc/60/37/07/609603707.db2.gz 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CN(C)C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000825856635 609609143 /nfs/dbraw/zinc/60/91/43/609609143.db2.gz ZCVLUTYQNWHLFO-UHFFFAOYSA-N -1 3 376.364 0.820 20 0 GCADHM O=S(=O)(NC[C@H]1CCCCS1(=O)=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490274 609610206 /nfs/dbraw/zinc/61/02/06/609610206.db2.gz OVODDJAUVQHTLK-SNVBAGLBSA-N -1 3 389.434 0.251 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826334007 609610229 /nfs/dbraw/zinc/61/02/29/609610229.db2.gz CWXKQZCFGXEJQY-HNNXBMFYSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826334007 609610230 /nfs/dbraw/zinc/61/02/30/609610230.db2.gz CWXKQZCFGXEJQY-HNNXBMFYSA-N -1 3 380.412 0.834 20 0 GCADHM O=S(=O)(NC[C@@H]1CCCCS1(=O)=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826490237 609610749 /nfs/dbraw/zinc/61/07/49/609610749.db2.gz NYQJMBRGZLAHKF-JTQLQIEISA-N -1 3 389.434 0.251 20 0 GCADHM O=S(=O)(NC[C@@H]1CCCCS1(=O)=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826490237 609610750 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CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866850141 638432468 /nfs/dbraw/zinc/43/24/68/638432468.db2.gz VPXUWVFWERKWBS-JGVFFNPUSA-N -1 3 387.243 0.710 20 0 GCADHM C[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1I)C[C@H](C)O ZINC000866853722 638521680 /nfs/dbraw/zinc/52/16/80/638521680.db2.gz AKICAAOZGXEBLO-SFYZADRCSA-N -1 3 387.243 0.710 20 0 GCADHM Cn1cc(S(=O)(=O)[N-]CCCOC[C@H]2CCOC2)c(Br)n1 ZINC000866856660 638523404 /nfs/dbraw/zinc/52/34/04/638523404.db2.gz IBYQOLIFMPLOCF-SNVBAGLBSA-N -1 3 382.280 0.904 20 0 GCADHM CC(C)[C@@H](C[N-]S(=O)(=O)c1nc[nH]c1Br)N1CCN(C)CC1 ZINC000866873620 638540153 /nfs/dbraw/zinc/54/01/53/638540153.db2.gz UXLYOQYMEAIHNN-LLVKDONJSA-N -1 3 394.339 0.723 20 0 GCADHM Cc1cc(Br)cc(NC(=O)C(=O)N[N-]C(=O)c2cnn(C)c2)c1 ZINC000188159569 638567651 /nfs/dbraw/zinc/56/76/51/638567651.db2.gz OLXKSNMCCKHBPO-UHFFFAOYSA-N -1 3 380.202 0.891 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1nc2c(s1)CCC2 ZINC000927663853 638664766 /nfs/dbraw/zinc/66/47/66/638664766.db2.gz 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ZINC000582458323 1186538916 /nfs/dbraw/zinc/53/89/16/1186538916.db2.gz GWLIMGPRAHDCPC-VNHYZAJKSA-N -1 3 382.442 0.009 20 0 GCADHM O=C(c1ccc([O-])cc1)N1CCN(Cc2nnnn2CC2CCOCC2)CC1 ZINC000277644418 1186550266 /nfs/dbraw/zinc/55/02/66/1186550266.db2.gz HSXJJQNNCWWBID-UHFFFAOYSA-N -1 3 386.456 0.763 20 0 GCADHM Cc1cc(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000582534359 1186559894 /nfs/dbraw/zinc/55/98/94/1186559894.db2.gz PDSDFRSSAMODSD-SNVBAGLBSA-N -1 3 380.430 0.365 20 0 GCADHM CCOC(=O)CCS(=O)(=O)N1CCC(c2nnc(C(=O)OCC)[n-]2)CC1 ZINC000277751053 1186588003 /nfs/dbraw/zinc/58/80/03/1186588003.db2.gz QWJHCLJLRWZFSM-UHFFFAOYSA-N -1 3 388.446 0.444 20 0 GCADHM CCOC(=O)CCS(=O)(=O)N1CCC(c2n[n-]c(C(=O)OCC)n2)CC1 ZINC000277751053 1186588006 /nfs/dbraw/zinc/58/80/06/1186588006.db2.gz QWJHCLJLRWZFSM-UHFFFAOYSA-N -1 3 388.446 0.444 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)CCCC(=O)OC)CC2)[n-]1 ZINC000277769595 1186598300 /nfs/dbraw/zinc/59/83/00/1186598300.db2.gz 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GCADHM CCOC(=O)c1nc(C2CCN(C(=O)C(=O)N3CCC[C@H](C)C3)CC2)n[n-]1 ZINC000277858385 1186646904 /nfs/dbraw/zinc/64/69/04/1186646904.db2.gz XYLWLHVJCPDPBY-LBPRGKRZSA-N -1 3 377.445 0.946 20 0 GCADHM Cc1nnc2ccc(-c3noc(C[N-]S(=O)(=O)CCOC(C)C)n3)cn12 ZINC000277874355 1186656956 /nfs/dbraw/zinc/65/69/56/1186656956.db2.gz GARVINNZKXTXDT-UHFFFAOYSA-N -1 3 380.430 0.932 20 0 GCADHM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000548768963 1186675812 /nfs/dbraw/zinc/67/58/12/1186675812.db2.gz DODNYSDUDOPGBA-JTQLQIEISA-N -1 3 397.375 0.253 20 0 GCADHM Cc1noc([C@H]([N-]S(=O)(=O)CCCN2CCOCC2)C2CCOCC2)n1 ZINC000582800906 1186681262 /nfs/dbraw/zinc/68/12/62/1186681262.db2.gz BCYBTQXCVKQAEX-OAHLLOKOSA-N -1 3 388.490 0.487 20 0 GCADHM CSc1nnc(-c2noc(CCc3nc4c([n-]3)c(=O)[nH]c(=O)n4C)n2)s1 ZINC000277976216 1186730518 /nfs/dbraw/zinc/73/05/18/1186730518.db2.gz NQNVVEIEAIWNJV-UHFFFAOYSA-N -1 3 392.426 0.771 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCO1 ZINC000728540557 1186763402 /nfs/dbraw/zinc/76/34/02/1186763402.db2.gz VRNGZLLLSZHDPO-CYBMUJFWSA-N -1 3 386.401 0.280 20 0 GCADHM COC(=O)[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)[C@H]1CCC[C@H](OC)C1 ZINC000582129144 1186768082 /nfs/dbraw/zinc/76/80/82/1186768082.db2.gz HQMFWCGUTBZBQF-JLJPHGGASA-N -1 3 378.425 0.985 20 0 GCADHM COc1ccc(C[C@@H](CO)CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)cc1O ZINC000583091608 1186768307 /nfs/dbraw/zinc/76/83/07/1186768307.db2.gz ZOTABDOINNVAAW-GFCCVEGCSA-N -1 3 376.413 0.543 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H]3CCN(C(C)C)C3=O)CC2)[n-]1 ZINC000278116199 1186789025 /nfs/dbraw/zinc/78/90/25/1186789025.db2.gz LDRUEDKTTDHLQS-CYBMUJFWSA-N -1 3 392.460 0.880 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H]3CCN(C(C)C)C3=O)CC2)n[n-]1 ZINC000278116199 1186789027 /nfs/dbraw/zinc/78/90/27/1186789027.db2.gz LDRUEDKTTDHLQS-CYBMUJFWSA-N -1 3 392.460 0.880 20 0 GCADHM CC(=O)NCC[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000583353718 1186835468 /nfs/dbraw/zinc/83/54/68/1186835468.db2.gz 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ZINC000583937142 1186964201 /nfs/dbraw/zinc/96/42/01/1186964201.db2.gz AYGLBXIPNJCLDP-NSHDSACASA-N -1 3 378.381 0.910 20 0 GCADHM COCCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCS(=O)(=O)C1 ZINC000536204737 1186989093 /nfs/dbraw/zinc/98/90/93/1186989093.db2.gz PWXLMZWAUQJNKO-LLVKDONJSA-N -1 3 381.410 0.238 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@](C)(O)CN1c2ccccc2C(C)(C)C1=O ZINC000584090102 1186997614 /nfs/dbraw/zinc/99/76/14/1186997614.db2.gz JFQOPJUXNBPRTI-XCLFUZPHSA-N -1 3 386.452 0.690 20 0 GCADHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(=O)NCCN1CCOCC1 ZINC000584397945 1187049279 /nfs/dbraw/zinc/04/92/79/1187049279.db2.gz OPAAWXHXPHIXCK-UHFFFAOYSA-N -1 3 399.444 0.607 20 0 GCADHM CS(=O)(=O)NC1CC([N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)C1 ZINC001211619978 1187065284 /nfs/dbraw/zinc/06/52/84/1187065284.db2.gz RHIDCDBYAWBLKY-CNWXXMQWSA-N -1 3 387.549 0.332 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000685487200 1187136419 /nfs/dbraw/zinc/13/64/19/1187136419.db2.gz 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O=C(Cn1cc(F)c(=O)[n-]c1=O)Nc1ccc2c3c1cccc3C(=O)NC2=O ZINC001183660517 1205898354 /nfs/dbraw/zinc/89/83/54/1205898354.db2.gz HJHUJTITIKWOCV-UHFFFAOYSA-N -1 3 382.307 0.764 20 0 GCADHM O=C(Cn1cc(F)c(=O)[n-]c1=O)NCc1ccc(N2CCCNC2=O)cc1 ZINC001183663306 1205898482 /nfs/dbraw/zinc/89/84/82/1205898482.db2.gz ACPGTNCSHZZWSU-UHFFFAOYSA-N -1 3 375.360 0.324 20 0 GCADHM CSc1[n-]nc(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(C)=O)c1C(N)=O ZINC001183871256 1205901587 /nfs/dbraw/zinc/90/15/87/1205901587.db2.gz LPUPXQNGSSNYLK-QMMMGPOBSA-N -1 3 385.446 0.406 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H](n2ccnn2)CC1 ZINC001184070874 1205904128 /nfs/dbraw/zinc/90/41/28/1205904128.db2.gz ICJRHOPSSLIPNO-ZDUSSCGKSA-N -1 3 382.446 0.415 20 0 GCADHM CC(=O)N1CCCC[C@H]1CC(=O)NCC[N-]C(=O)C(F)(F)Br ZINC001184131933 1205905161 /nfs/dbraw/zinc/90/51/61/1205905161.db2.gz JJOFBJHIAOBXFJ-JTQLQIEISA-N -1 3 384.221 0.998 20 0 GCADHM CCOC(=O)c1[n-]cnc1NC(=O)[C@@H](O)[C@H](NC(C)=O)C(=O)c1ccccc1 ZINC001184414488 1205909705 /nfs/dbraw/zinc/90/97/05/1205909705.db2.gz NAQDRDLFQQYVJK-DOMZBBRYSA-N -1 3 388.380 0.273 20 0 GCADHM CCOC(=O)c1nc[n-]c1NC(=O)[C@@H](O)[C@H](NC(C)=O)C(=O)c1ccccc1 ZINC001184414488 1205909706 /nfs/dbraw/zinc/90/97/06/1205909706.db2.gz NAQDRDLFQQYVJK-DOMZBBRYSA-N -1 3 388.380 0.273 20 0 GCADHM CN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccccc1 ZINC001184413045 1205909729 /nfs/dbraw/zinc/90/97/29/1205909729.db2.gz MKVNPHZYOJTBKK-UHFFFAOYSA-N -1 3 386.437 0.804 20 0 GCADHM CN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccccc1 ZINC001184413045 1205909730 /nfs/dbraw/zinc/90/97/30/1205909730.db2.gz MKVNPHZYOJTBKK-UHFFFAOYSA-N -1 3 386.437 0.804 20 0 GCADHM CS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001110352188 1205912745 /nfs/dbraw/zinc/91/27/45/1205912745.db2.gz WGRCVXFSVMDMSB-MCIONIFRSA-N -1 3 380.470 0.326 20 0 GCADHM CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)c3[n-]c(=O)ccc3Cl)C2)C1 ZINC001184803041 1205913568 /nfs/dbraw/zinc/91/35/68/1205913568.db2.gz OWGKHRHQMTUBLH-GOSISDBHSA-N -1 3 396.875 0.167 20 0 GCADHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1 ZINC000774784901 1205913832 /nfs/dbraw/zinc/91/38/32/1205913832.db2.gz QYTVTGFZAZZENK-WCQYABFASA-N -1 3 388.417 0.526 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2[n-]c(=O)ccc2Cl)C(=O)C1 ZINC001184816894 1205913935 /nfs/dbraw/zinc/91/39/35/1205913935.db2.gz USWNNDRWWMXZQU-UHFFFAOYSA-N -1 3 398.847 0.676 20 0 GCADHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)NCC(N)=O ZINC001184825433 1205914052 /nfs/dbraw/zinc/91/40/52/1205914052.db2.gz AZRLZKBSYMVRRC-LURJTMIESA-N -1 3 398.666 0.371 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)nc2)[C@@H](O)C1 ZINC001185057543 1205916014 /nfs/dbraw/zinc/91/60/14/1205916014.db2.gz IZIUAUGYYSFIKZ-ZJUUUORDSA-N -1 3 378.838 0.389 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@](O)(C[N-]S(=O)(=O)c2cnc(Cl)nc2)C1 ZINC001185063901 1205916027 /nfs/dbraw/zinc/91/60/27/1205916027.db2.gz USSRNLQCEDTHKM-AWEZNQCLSA-N -1 3 392.865 0.780 20 0 GCADHM CC(C)(C)OC(=O)N[C@H]1COC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185058275 1205916063 /nfs/dbraw/zinc/91/60/63/1205916063.db2.gz YBRKWOVXYVRGJM-VHSXEESVSA-N -1 3 378.838 0.700 20 0 GCADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)nc1)C(=O)OC(C)(C)C ZINC001185066837 1205916650 /nfs/dbraw/zinc/91/66/50/1205916650.db2.gz HGJADODJYFUPRZ-VIFPVBQESA-N -1 3 379.822 0.682 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)nc2)[C@@H](CO)C1 ZINC001185070142 1205916811 /nfs/dbraw/zinc/91/68/11/1205916811.db2.gz VRKKGSHQQPCWAI-KOLCDFICSA-N -1 3 392.865 0.636 20 0 GCADHM COC(=O)[C@@H]1COCCC12CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185587876 1205925012 /nfs/dbraw/zinc/92/50/12/1205925012.db2.gz FMANISDJWYFWLE-ZDUSSCGKSA-N -1 3 393.425 0.067 20 0 GCADHM COC(=O)[C@@H]1COCCC12CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185587876 1205925014 /nfs/dbraw/zinc/92/50/14/1205925014.db2.gz FMANISDJWYFWLE-ZDUSSCGKSA-N -1 3 393.425 0.067 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCCN(c2ncccn2)CC1 ZINC001185589364 1205925054 /nfs/dbraw/zinc/92/50/54/1205925054.db2.gz UEMSQMQQVRESCS-UHFFFAOYSA-N -1 3 386.441 0.558 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCCN(c2ncccn2)CC1 ZINC001185589364 1205925055 /nfs/dbraw/zinc/92/50/55/1205925055.db2.gz UEMSQMQQVRESCS-UHFFFAOYSA-N -1 3 386.441 0.558 20 0 GCADHM Cc1nccnc1O[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185591771 1205925179 /nfs/dbraw/zinc/92/51/79/1205925179.db2.gz DYADEBMBODIVJS-CYBMUJFWSA-N -1 3 387.425 0.807 20 0 GCADHM Cc1nccnc1O[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185591771 1205925180 /nfs/dbraw/zinc/92/51/80/1205925180.db2.gz DYADEBMBODIVJS-CYBMUJFWSA-N -1 3 387.425 0.807 20 0 GCADHM COC(=O)CC[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185597534 1205925193 /nfs/dbraw/zinc/92/51/93/1205925193.db2.gz OEVBQHKPJLZBQI-GFCCVEGCSA-N -1 3 381.414 0.209 20 0 GCADHM COC(=O)CC[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185597534 1205925194 /nfs/dbraw/zinc/92/51/94/1205925194.db2.gz OEVBQHKPJLZBQI-GFCCVEGCSA-N -1 3 381.414 0.209 20 0 GCADHM CCC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185591497 1205925347 /nfs/dbraw/zinc/92/53/47/1205925347.db2.gz BLLSLEGSAURENE-UHFFFAOYSA-N -1 3 378.458 0.888 20 0 GCADHM CCC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185591497 1205925348 /nfs/dbraw/zinc/92/53/48/1205925348.db2.gz BLLSLEGSAURENE-UHFFFAOYSA-N -1 3 378.458 0.888 20 0 GCADHM Cc1cncnc1O[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185591493 1205925398 /nfs/dbraw/zinc/92/53/98/1205925398.db2.gz BLKRYOVNCMOWQZ-CYBMUJFWSA-N -1 3 387.425 0.807 20 0 GCADHM Cc1cncnc1O[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185591493 1205925399 /nfs/dbraw/zinc/92/53/99/1205925399.db2.gz BLKRYOVNCMOWQZ-CYBMUJFWSA-N -1 3 387.425 0.807 20 0 GCADHM O=C1CCCC2(CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)N1 ZINC001185578336 1205925659 /nfs/dbraw/zinc/92/56/59/1205925659.db2.gz FEQRGEYIEAZDIO-UHFFFAOYSA-N -1 3 376.442 0.690 20 0 GCADHM O=C1CCCC2(CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)N1 ZINC001185578336 1205925660 /nfs/dbraw/zinc/92/56/60/1205925660.db2.gz FEQRGEYIEAZDIO-UHFFFAOYSA-N -1 3 376.442 0.690 20 0 GCADHM O=C1CCC[C@@]2(CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)N1 ZINC001185578772 1205925729 /nfs/dbraw/zinc/92/57/29/1205925729.db2.gz NQLRPMNLDDATSH-INIZCTEOSA-N -1 3 376.442 0.690 20 0 GCADHM O=C1CCC[C@@]2(CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)N1 ZINC001185578772 1205925731 /nfs/dbraw/zinc/92/57/31/1205925731.db2.gz NQLRPMNLDDATSH-INIZCTEOSA-N -1 3 376.442 0.690 20 0 GCADHM CC(=O)N1CCC2(C1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001185577225 1205925816 /nfs/dbraw/zinc/92/58/16/1205925816.db2.gz WNKNLZBERAYMAL-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM CC(=O)N1CCC2(C1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185577225 1205925817 /nfs/dbraw/zinc/92/58/17/1205925817.db2.gz WNKNLZBERAYMAL-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM COCc1cnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)[C@H]2C ZINC001185578815 1205925847 /nfs/dbraw/zinc/92/58/47/1205925847.db2.gz PBFPBTBMQHRWAU-NSHDSACASA-N -1 3 389.441 0.975 20 0 GCADHM COCc1cnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)[C@H]2C ZINC001185578815 1205925848 /nfs/dbraw/zinc/92/58/48/1205925848.db2.gz PBFPBTBMQHRWAU-NSHDSACASA-N -1 3 389.441 0.975 20 0 GCADHM CCN1CC[C@]2(CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)C1=O ZINC001185579023 1205925851 /nfs/dbraw/zinc/92/58/51/1205925851.db2.gz SRCZREZSDNHWSE-KRWDZBQOSA-N -1 3 390.469 0.890 20 0 GCADHM CCN1CC[C@]2(CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC001185579023 1205925854 /nfs/dbraw/zinc/92/58/54/1205925854.db2.gz SRCZREZSDNHWSE-KRWDZBQOSA-N -1 3 390.469 0.890 20 0 GCADHM O=S(=O)(N[C@H]1CCC[C@@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628520 1205925924 /nfs/dbraw/zinc/92/59/24/1205925924.db2.gz RIRGXLUHSQGDPO-GJZGRUSLSA-N -1 3 378.458 0.398 20 0 GCADHM O=S(=O)(N[C@H]1CCC[C@@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628520 1205925925 /nfs/dbraw/zinc/92/59/25/1205925925.db2.gz RIRGXLUHSQGDPO-GJZGRUSLSA-N -1 3 378.458 0.398 20 0 GCADHM COC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)Cc2ncn(C)c21 ZINC001185579567 1205926130 /nfs/dbraw/zinc/92/61/30/1205926130.db2.gz XXOBPSBEIPKRBO-GFCCVEGCSA-N -1 3 389.441 0.535 20 0 GCADHM COC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)Cc2ncn(C)c21 ZINC001185579567 1205926131 /nfs/dbraw/zinc/92/61/31/1205926131.db2.gz XXOBPSBEIPKRBO-GFCCVEGCSA-N -1 3 389.441 0.535 20 0 GCADHM O=S(=O)(NCc1cncn1C1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185637453 1205926359 /nfs/dbraw/zinc/92/63/59/1205926359.db2.gz BNOTYSVRLMSGSR-UHFFFAOYSA-N -1 3 389.441 0.893 20 0 GCADHM O=S(=O)(NCc1cncn1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185637453 1205926360 /nfs/dbraw/zinc/92/63/60/1205926360.db2.gz BNOTYSVRLMSGSR-UHFFFAOYSA-N -1 3 389.441 0.893 20 0 GCADHM O=C1COc2ccc(CNS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)cc2N1 ZINC001185641502 1205926424 /nfs/dbraw/zinc/92/64/24/1205926424.db2.gz CRHRLSLBEDFUPC-UHFFFAOYSA-N -1 3 386.393 0.676 20 0 GCADHM O=C1COc2ccc(CNS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cc2N1 ZINC001185641502 1205926425 /nfs/dbraw/zinc/92/64/25/1205926425.db2.gz CRHRLSLBEDFUPC-UHFFFAOYSA-N -1 3 386.393 0.676 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC001185637608 1205926447 /nfs/dbraw/zinc/92/64/47/1205926447.db2.gz HOUPRUOLSRSZQO-UHFFFAOYSA-N -1 3 378.439 0.637 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC001185637608 1205926449 /nfs/dbraw/zinc/92/64/49/1205926449.db2.gz HOUPRUOLSRSZQO-UHFFFAOYSA-N -1 3 378.439 0.637 20 0 GCADHM O=S(=O)(NCc1ccc(-n2ccnn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185642322 1205926458 /nfs/dbraw/zinc/92/64/58/1205926458.db2.gz MIIHWJGRNMMVLR-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM O=S(=O)(NCc1ccc(-n2ccnn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185642322 1205926459 /nfs/dbraw/zinc/92/64/59/1205926459.db2.gz MIIHWJGRNMMVLR-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM O=c1cc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C2CC2)c(=O)[nH]1 ZINC001185623050 1205926979 /nfs/dbraw/zinc/92/69/79/1205926979.db2.gz XJUPSPLJEPWORY-UHFFFAOYSA-N -1 3 375.370 0.265 20 0 GCADHM O=c1cc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C2CC2)c(=O)[nH]1 ZINC001185623050 1205926981 /nfs/dbraw/zinc/92/69/81/1205926981.db2.gz XJUPSPLJEPWORY-UHFFFAOYSA-N -1 3 375.370 0.265 20 0 GCADHM CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC ZINC001185622776 1205927095 /nfs/dbraw/zinc/92/70/95/1205927095.db2.gz QKVSYOQPFSZLNQ-GFCCVEGCSA-N -1 3 397.413 0.030 20 0 GCADHM CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC ZINC001185622776 1205927096 /nfs/dbraw/zinc/92/70/96/1205927096.db2.gz QKVSYOQPFSZLNQ-GFCCVEGCSA-N -1 3 397.413 0.030 20 0 GCADHM CSc1nc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc(=O)n1C ZINC001185623307 1205927154 /nfs/dbraw/zinc/92/71/54/1205927154.db2.gz DKCKQLZIYDLZTA-UHFFFAOYSA-N -1 3 379.427 0.483 20 0 GCADHM CSc1nc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc(=O)n1C ZINC001185623307 1205927155 /nfs/dbraw/zinc/92/71/55/1205927155.db2.gz DKCKQLZIYDLZTA-UHFFFAOYSA-N -1 3 379.427 0.483 20 0 GCADHM CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N=c1ncnc2[nH][n-]cc1-2 ZINC001185828321 1205929402 /nfs/dbraw/zinc/92/94/02/1205929402.db2.gz SRIROQIWJLJUOL-RYUDHWBXSA-N -1 3 390.400 0.464 20 0 GCADHM Cn1ncc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(N)=O)c1Br ZINC001185936018 1205932430 /nfs/dbraw/zinc/93/24/30/1205932430.db2.gz NLBBVMOCILUKIM-SNVBAGLBSA-N -1 3 387.259 0.558 20 0 GCADHM NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc([O-])c(F)c1 ZINC001186243064 1205936629 /nfs/dbraw/zinc/93/66/29/1205936629.db2.gz WSFRQEVSRLEOKZ-KBPBESRZSA-N -1 3 389.387 0.072 20 0 GCADHM Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2ccccc2-c2nnn[n-]2)cn1 ZINC001186992992 1205954169 /nfs/dbraw/zinc/95/41/69/1205954169.db2.gz ZHTVGHWWYDKECW-LSDHHAIUSA-N -1 3 378.396 0.620 20 0 GCADHM Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC001186992992 1205954170 /nfs/dbraw/zinc/95/41/70/1205954170.db2.gz ZHTVGHWWYDKECW-LSDHHAIUSA-N -1 3 378.396 0.620 20 0 GCADHM 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ZINC000908821764 939329440 /nfs/dbraw/zinc/32/94/40/939329440.db2.gz QCXCFJJRBWBFMW-PXNSSMCTSA-N -1 3 390.484 0.908 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(c3nnc(C)c(C)c3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000819796119 945292666 /nfs/dbraw/zinc/29/26/66/945292666.db2.gz CNYQTHVVZABXGE-IAQYHMDHSA-N -1 3 385.476 0.262 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(c3nnc(C)c(C)c3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000819796119 945292676 /nfs/dbraw/zinc/29/26/76/945292676.db2.gz CNYQTHVVZABXGE-IAQYHMDHSA-N -1 3 385.476 0.262 20 0 GCADHM CC(=O)N[C@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000819803269 945293615 /nfs/dbraw/zinc/29/36/15/945293615.db2.gz MJQDWPHTNQLTLP-AWEZNQCLSA-N -1 3 378.458 0.241 20 0 GCADHM CC(=O)N[C@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000819803269 945293623 /nfs/dbraw/zinc/29/36/23/945293623.db2.gz MJQDWPHTNQLTLP-AWEZNQCLSA-N -1 3 378.458 0.241 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(c2cnn(C)c2)CC1 ZINC000819877171 945303507 /nfs/dbraw/zinc/30/35/07/945303507.db2.gz QEFPMTFQMCRZMA-ZDUSSCGKSA-N -1 3 381.444 0.749 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(c2cnn(C)c2)CC1 ZINC000819877171 945303516 /nfs/dbraw/zinc/30/35/16/945303516.db2.gz QEFPMTFQMCRZMA-ZDUSSCGKSA-N -1 3 381.444 0.749 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(CC[S@@](C)=O)CC1 ZINC000819876670 945303672 /nfs/dbraw/zinc/30/36/72/945303672.db2.gz IRXFPBMRZHGOSI-PFUSGODGSA-N -1 3 391.501 0.190 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(CC[S@@](C)=O)CC1 ZINC000819876670 945303681 /nfs/dbraw/zinc/30/36/81/945303681.db2.gz IRXFPBMRZHGOSI-PFUSGODGSA-N -1 3 391.501 0.190 20 0 GCADHM CC[C@H]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)O1 ZINC001571257768 945342468 /nfs/dbraw/zinc/34/24/68/945342468.db2.gz JCQWEHXPLHOATJ-CWFCOSEVSA-N -1 3 385.428 0.339 20 0 GCADHM CC[C@H]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)O1 ZINC001571257768 945342478 /nfs/dbraw/zinc/34/24/78/945342478.db2.gz JCQWEHXPLHOATJ-CWFCOSEVSA-N -1 3 385.428 0.339 20 0 GCADHM Cn1ncc(C(=O)N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1N ZINC001571257728 945342709 /nfs/dbraw/zinc/34/27/09/945342709.db2.gz IBWQCPYDPUNOCF-UHFFFAOYSA-N -1 3 385.407 0.280 20 0 GCADHM Cn1ncc(C(=O)N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)c1N ZINC001571257728 945342721 /nfs/dbraw/zinc/34/27/21/945342721.db2.gz IBWQCPYDPUNOCF-UHFFFAOYSA-N -1 3 385.407 0.280 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571257956 945344259 /nfs/dbraw/zinc/34/42/59/945344259.db2.gz KKOIITSJYQFQGY-APACUCGBSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571257956 945344271 /nfs/dbraw/zinc/34/42/71/945344271.db2.gz KKOIITSJYQFQGY-APACUCGBSA-N -1 3 385.428 0.197 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)C2=COCCO2)C1)c1ncccc1-c1nnn[n-]1 ZINC001571258014 945344596 /nfs/dbraw/zinc/34/45/96/945344596.db2.gz LBAHSHNASFIOKG-ZDUSSCGKSA-N -1 3 385.428 0.825 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)C2=COCCO2)C1)c1ncccc1-c1nn[n-]n1 ZINC001571258014 945344603 /nfs/dbraw/zinc/34/46/03/945344603.db2.gz LBAHSHNASFIOKG-ZDUSSCGKSA-N -1 3 385.428 0.825 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571257959 945345167 /nfs/dbraw/zinc/34/51/67/945345167.db2.gz KKOIITSJYQFQGY-IGMMHVEYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571257959 945345179 /nfs/dbraw/zinc/34/51/79/945345179.db2.gz KKOIITSJYQFQGY-IGMMHVEYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@]1(C(=O)N2CC3(C2)CCN(C(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)CCOC1 ZINC001571258104 945347652 /nfs/dbraw/zinc/34/76/52/945347652.db2.gz MXSJQIJUIFJMBM-KRWDZBQOSA-N -1 3 385.428 0.296 20 0 GCADHM C[C@]1(C(=O)N2CC3(C2)CCN(C(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)CCOC1 ZINC001571258104 945347657 /nfs/dbraw/zinc/34/76/57/945347657.db2.gz MXSJQIJUIFJMBM-KRWDZBQOSA-N -1 3 385.428 0.296 20 0 GCADHM CN(C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001571258072 945348396 /nfs/dbraw/zinc/34/83/96/945348396.db2.gz MGQPZKLVEGSVMX-LLVKDONJSA-N -1 3 385.407 0.651 20 0 GCADHM CN(C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001571258072 945348405 /nfs/dbraw/zinc/34/84/05/945348405.db2.gz MGQPZKLVEGSVMX-LLVKDONJSA-N -1 3 385.407 0.651 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571258270 945350630 /nfs/dbraw/zinc/35/06/30/945350630.db2.gz OKJQENRBYVCCGP-JLNYLFASSA-N -1 3 385.428 0.435 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571258270 945350642 /nfs/dbraw/zinc/35/06/42/945350642.db2.gz OKJQENRBYVCCGP-JLNYLFASSA-N -1 3 385.428 0.435 20 0 GCADHM CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571258293 945350773 /nfs/dbraw/zinc/35/07/73/945350773.db2.gz PGYASSKLMQEQQO-BLTAXRJOSA-N -1 3 385.428 0.435 20 0 GCADHM CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571258293 945350780 /nfs/dbraw/zinc/35/07/80/945350780.db2.gz PGYASSKLMQEQQO-BLTAXRJOSA-N -1 3 385.428 0.435 20 0 GCADHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCC(CO)(CO)CC1 ZINC001571258573 945359589 /nfs/dbraw/zinc/35/95/89/945359589.db2.gz WITSWHORVRNSKN-UHFFFAOYSA-N -1 3 385.421 0.070 20 0 GCADHM O=C(Cn1ccnc1)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571258476 945354846 /nfs/dbraw/zinc/35/48/46/945354846.db2.gz SKBCKTQNIGMDQP-CYBMUJFWSA-N -1 3 385.407 0.773 20 0 GCADHM O=C(Cn1ccnc1)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571258476 945354858 /nfs/dbraw/zinc/35/48/58/945354858.db2.gz SKBCKTQNIGMDQP-CYBMUJFWSA-N -1 3 385.407 0.773 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cn(C)nn1)c1cccc(F)c1-c1nnn[n-]1 ZINC001571258510 945355055 /nfs/dbraw/zinc/35/50/55/945355055.db2.gz URYLAMHBOJUTOQ-LLVKDONJSA-N -1 3 385.407 0.875 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cn(C)nn1)c1cccc(F)c1-c1nn[n-]n1 ZINC001571258510 945355069 /nfs/dbraw/zinc/35/50/69/945355069.db2.gz URYLAMHBOJUTOQ-LLVKDONJSA-N -1 3 385.407 0.875 20 0 GCADHM CNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC001571258484 945355302 /nfs/dbraw/zinc/35/53/02/945355302.db2.gz SOMIWKPKRCRUIT-UHFFFAOYSA-N -1 3 385.409 0.373 20 0 GCADHM O=C(Cn1ccnc1)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571258477 945355923 /nfs/dbraw/zinc/35/59/23/945355923.db2.gz SKBCKTQNIGMDQP-ZDUSSCGKSA-N -1 3 385.407 0.773 20 0 GCADHM O=C(Cn1ccnc1)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571258477 945355935 /nfs/dbraw/zinc/35/59/35/945355935.db2.gz SKBCKTQNIGMDQP-ZDUSSCGKSA-N -1 3 385.407 0.773 20 0 GCADHM CN(C(=O)Cc1ncc[nH]1)C1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571258662 945362437 /nfs/dbraw/zinc/36/24/37/945362437.db2.gz YQYJONMBINIKHO-UHFFFAOYSA-N -1 3 385.407 0.794 20 0 GCADHM CN(C(=O)Cc1ncc[nH]1)C1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571258662 945362450 /nfs/dbraw/zinc/36/24/50/945362450.db2.gz YQYJONMBINIKHO-UHFFFAOYSA-N -1 3 385.407 0.794 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820146029 945363498 /nfs/dbraw/zinc/36/34/98/945363498.db2.gz JAGXMCKPBCIORK-LBPRGKRZSA-N -1 3 396.473 0.388 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820146029 945363510 /nfs/dbraw/zinc/36/35/10/945363510.db2.gz JAGXMCKPBCIORK-LBPRGKRZSA-N -1 3 396.473 0.388 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)n1 ZINC001571258845 945365570 /nfs/dbraw/zinc/36/55/70/945365570.db2.gz CWELVAZHUUAOKA-SCDSUCTJSA-N -1 3 385.428 0.464 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](C)[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)n1 ZINC001571258845 945365582 /nfs/dbraw/zinc/36/55/82/945365582.db2.gz CWELVAZHUUAOKA-SCDSUCTJSA-N -1 3 385.428 0.464 20 0 GCADHM CN(CCO)S(=O)(=O)c1ccccc1CNc1ncccc1-c1nnn[n-]1 ZINC000736800909 944893705 /nfs/dbraw/zinc/89/37/05/944893705.db2.gz FIBHYOOLRQSCIJ-UHFFFAOYSA-N -1 3 389.441 0.487 20 0 GCADHM CN(CCO)S(=O)(=O)c1ccccc1CNc1ncccc1-c1nn[n-]n1 ZINC000736800909 944893711 /nfs/dbraw/zinc/89/37/11/944893711.db2.gz FIBHYOOLRQSCIJ-UHFFFAOYSA-N -1 3 389.441 0.487 20 0 GCADHM CN(Cc1cc[nH]n1)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736814590 944893974 /nfs/dbraw/zinc/89/39/74/944893974.db2.gz QUDANECSBCBBQU-UHFFFAOYSA-N -1 3 392.326 0.788 20 0 GCADHM COC[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736970167 944921043 /nfs/dbraw/zinc/92/10/43/944921043.db2.gz BNXKPVMQTBTBSV-BFUOFWGJSA-N -1 3 399.455 0.950 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000737033761 944937499 /nfs/dbraw/zinc/93/74/99/944937499.db2.gz SRPFNMIKJGXIKO-CYBMUJFWSA-N -1 3 398.427 0.757 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000737033761 944937508 /nfs/dbraw/zinc/93/75/08/944937508.db2.gz SRPFNMIKJGXIKO-CYBMUJFWSA-N -1 3 398.427 0.757 20 0 GCADHM COc1ccccc1CN(CCO)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737150355 944970075 /nfs/dbraw/zinc/97/00/75/944970075.db2.gz PHQOVIDZXQEAPS-UHFFFAOYSA-N -1 3 396.451 0.986 20 0 GCADHM COc1ccccc1CN(CCO)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737150355 944970083 /nfs/dbraw/zinc/97/00/83/944970083.db2.gz PHQOVIDZXQEAPS-UHFFFAOYSA-N -1 3 396.451 0.986 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571258900 945369518 /nfs/dbraw/zinc/36/95/18/945369518.db2.gz DZTPFBKOPVENAB-PLNRXTSHSA-N -1 3 385.428 0.102 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571258900 945369526 /nfs/dbraw/zinc/36/95/26/945369526.db2.gz DZTPFBKOPVENAB-PLNRXTSHSA-N -1 3 385.428 0.102 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571258883 945370481 /nfs/dbraw/zinc/37/04/81/945370481.db2.gz DOKACQQAKXVXLZ-QPKOPYBWSA-N -1 3 385.428 0.626 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571258883 945370492 /nfs/dbraw/zinc/37/04/92/945370492.db2.gz DOKACQQAKXVXLZ-QPKOPYBWSA-N -1 3 385.428 0.626 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571258898 945370808 /nfs/dbraw/zinc/37/08/08/945370808.db2.gz DZTPFBKOPVENAB-FIRSIQCYSA-N -1 3 385.428 0.102 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571258898 945370819 /nfs/dbraw/zinc/37/08/19/945370819.db2.gz DZTPFBKOPVENAB-FIRSIQCYSA-N -1 3 385.428 0.102 20 0 GCADHM CCc1nc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)no1 ZINC001571259112 945376176 /nfs/dbraw/zinc/37/61/76/945376176.db2.gz HSQCZLPYPHZHGU-ZYHUDNBSSA-N -1 3 385.432 0.923 20 0 GCADHM CCc1nc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)no1 ZINC001571259112 945376185 /nfs/dbraw/zinc/37/61/85/945376185.db2.gz HSQCZLPYPHZHGU-ZYHUDNBSSA-N -1 3 385.432 0.923 20 0 GCADHM CNC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001571259118 945378710 /nfs/dbraw/zinc/37/87/10/945378710.db2.gz IAGWDKIDMOJUTB-QLFBSQMISA-N -1 3 385.428 0.127 20 0 GCADHM CNC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001571259118 945378719 /nfs/dbraw/zinc/37/87/19/945378719.db2.gz IAGWDKIDMOJUTB-QLFBSQMISA-N -1 3 385.428 0.127 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571259268 945379943 /nfs/dbraw/zinc/37/99/43/945379943.db2.gz KGXKVZWQMBNWFL-OLZOCXBDSA-N -1 3 385.428 0.546 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571259268 945379957 /nfs/dbraw/zinc/37/99/57/945379957.db2.gz KGXKVZWQMBNWFL-OLZOCXBDSA-N -1 3 385.428 0.546 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571259244 945380472 /nfs/dbraw/zinc/38/04/72/945380472.db2.gz KCNPKMFWYITIQT-CYBMUJFWSA-N -1 3 385.428 0.865 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571259244 945380482 /nfs/dbraw/zinc/38/04/82/945380482.db2.gz KCNPKMFWYITIQT-CYBMUJFWSA-N -1 3 385.428 0.865 20 0 GCADHM CC(C)c1nc(C[S@](=O)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000820203484 945382185 /nfs/dbraw/zinc/38/21/85/945382185.db2.gz USPOONAOIVRLJM-MHZLTWQESA-N -1 3 389.441 0.938 20 0 GCADHM CCCc1nc(CN2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571259283 945382881 /nfs/dbraw/zinc/38/28/81/945382881.db2.gz KLAGQXUNNIVTNV-GFCCVEGCSA-N -1 3 385.432 0.925 20 0 GCADHM CCCc1nc(CN2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571259283 945382893 /nfs/dbraw/zinc/38/28/93/945382893.db2.gz KLAGQXUNNIVTNV-GFCCVEGCSA-N -1 3 385.432 0.925 20 0 GCADHM CC(C)c1nnnn1CC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820211365 945383427 /nfs/dbraw/zinc/38/34/27/945383427.db2.gz KHCNYURJONIJTQ-CYBMUJFWSA-N -1 3 397.399 0.325 20 0 GCADHM CC(C)c1nnnn1CC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820211365 945383439 /nfs/dbraw/zinc/38/34/39/945383439.db2.gz KHCNYURJONIJTQ-CYBMUJFWSA-N -1 3 397.399 0.325 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571259616 945392935 /nfs/dbraw/zinc/39/29/35/945392935.db2.gz IHMZCVWNDAPPOC-PWSUYJOCSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571259616 945392947 /nfs/dbraw/zinc/39/29/47/945392947.db2.gz IHMZCVWNDAPPOC-PWSUYJOCSA-N -1 3 385.436 0.016 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)C2=COCCC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571259628 945392971 /nfs/dbraw/zinc/39/29/71/945392971.db2.gz PHXZXNMHFDWRQP-SMDDNHRTSA-N -1 3 385.428 0.904 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)C2=COCCC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571259628 945392976 /nfs/dbraw/zinc/39/29/76/945392976.db2.gz PHXZXNMHFDWRQP-SMDDNHRTSA-N -1 3 385.428 0.904 20 0 GCADHM CCCCc1noc(CN[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571259630 945393253 /nfs/dbraw/zinc/39/32/53/945393253.db2.gz PISDIRGVSLOQMB-LBPRGKRZSA-N -1 3 385.432 0.925 20 0 GCADHM CCCCc1noc(CN[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571259630 945393265 /nfs/dbraw/zinc/39/32/65/945393265.db2.gz PISDIRGVSLOQMB-LBPRGKRZSA-N -1 3 385.432 0.925 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)CN1CCCNC1=O ZINC001571259594 945394145 /nfs/dbraw/zinc/39/41/45/945394145.db2.gz OZQPEJJPVISCDE-WCQYABFASA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)CN1CCCNC1=O ZINC001571259594 945394157 /nfs/dbraw/zinc/39/41/57/945394157.db2.gz OZQPEJJPVISCDE-WCQYABFASA-N -1 3 385.432 0.078 20 0 GCADHM CC(C)Cc1noc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571259605 945394692 /nfs/dbraw/zinc/39/46/92/945394692.db2.gz PDGKTOLFRNFNPF-LLVKDONJSA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)Cc1noc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571259605 945394698 /nfs/dbraw/zinc/39/46/98/945394698.db2.gz PDGKTOLFRNFNPF-LLVKDONJSA-N -1 3 385.432 0.781 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)n1 ZINC001571259745 945396032 /nfs/dbraw/zinc/39/60/32/945396032.db2.gz QJLFRMPNSFBZCT-OLZOCXBDSA-N -1 3 385.428 0.608 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)n1 ZINC001571259745 945396044 /nfs/dbraw/zinc/39/60/44/945396044.db2.gz QJLFRMPNSFBZCT-OLZOCXBDSA-N -1 3 385.428 0.608 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CC12CCOCC2 ZINC001571259795 945399503 /nfs/dbraw/zinc/39/95/03/945399503.db2.gz RGHQRRRPBBVKLK-RYUDHWBXSA-N -1 3 385.428 0.342 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CC12CCOCC2 ZINC001571259795 945399512 /nfs/dbraw/zinc/39/95/12/945399512.db2.gz RGHQRRRPBBVKLK-RYUDHWBXSA-N -1 3 385.428 0.342 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571259884 945400978 /nfs/dbraw/zinc/40/09/78/945400978.db2.gz MJGRCRHGBQBHOD-OVGLSYRBSA-N -1 3 385.432 0.112 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571259884 945400984 /nfs/dbraw/zinc/40/09/84/945400984.db2.gz MJGRCRHGBQBHOD-OVGLSYRBSA-N -1 3 385.432 0.112 20 0 GCADHM O=C(NC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571259958 945403585 /nfs/dbraw/zinc/40/35/85/945403585.db2.gz UFBGBOQFQKCTMV-NFAWXSAZSA-N -1 3 385.428 0.483 20 0 GCADHM O=C(NC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571259958 945403592 /nfs/dbraw/zinc/40/35/92/945403592.db2.gz UFBGBOQFQKCTMV-NFAWXSAZSA-N -1 3 385.428 0.483 20 0 GCADHM O=C([C@@H]1CCCO1)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C1 ZINC001571259916 945404272 /nfs/dbraw/zinc/40/42/72/945404272.db2.gz RUEWSRNWHYMKLB-ZLDLUXBVSA-N -1 3 385.428 0.294 20 0 GCADHM O=C([C@@H]1CCCO1)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C1 ZINC001571259916 945404287 /nfs/dbraw/zinc/40/42/87/945404287.db2.gz RUEWSRNWHYMKLB-ZLDLUXBVSA-N -1 3 385.428 0.294 20 0 GCADHM CCc1noc([C@@H](C)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571260013 945405813 /nfs/dbraw/zinc/40/58/13/945405813.db2.gz VQGIJDKMSSIESE-VHSXEESVSA-N -1 3 385.432 0.952 20 0 GCADHM CCc1noc([C@@H](C)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571260013 945405817 /nfs/dbraw/zinc/40/58/17/945405817.db2.gz VQGIJDKMSSIESE-VHSXEESVSA-N -1 3 385.432 0.952 20 0 GCADHM CO[C@@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)C1CC1 ZINC001571260151 945408260 /nfs/dbraw/zinc/40/82/60/945408260.db2.gz WQQFLZRJBGIZNW-NILFDRSVSA-N -1 3 385.428 0.293 20 0 GCADHM CO[C@@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)C1CC1 ZINC001571260151 945408266 /nfs/dbraw/zinc/40/82/66/945408266.db2.gz WQQFLZRJBGIZNW-NILFDRSVSA-N -1 3 385.428 0.293 20 0 GCADHM O=C(N[C@H]1C[C@H](CO)C1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001571260263 945412018 /nfs/dbraw/zinc/41/20/18/945412018.db2.gz ZFTGOCBDAOFFHT-WHOFXGATSA-N -1 3 385.428 0.432 20 0 GCADHM O=C(N[C@H]1C[C@H](CO)C1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001571260263 945412026 /nfs/dbraw/zinc/41/20/26/945412026.db2.gz ZFTGOCBDAOFFHT-WHOFXGATSA-N -1 3 385.428 0.432 20 0 GCADHM Cc1nc([C@@H](C)NC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)no1 ZINC001571260650 945420792 /nfs/dbraw/zinc/42/07/92/945420792.db2.gz YFZNWWVTOFZRIA-GIPNMCIBSA-N -1 3 385.432 0.945 20 0 GCADHM Cc1nc([C@@H](C)NC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)no1 ZINC001571260650 945420796 /nfs/dbraw/zinc/42/07/96/945420796.db2.gz YFZNWWVTOFZRIA-GIPNMCIBSA-N -1 3 385.432 0.945 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571261681 945429673 /nfs/dbraw/zinc/42/96/73/945429673.db2.gz IJJIZZIUOLKTAO-KOLCDFICSA-N -1 3 385.457 0.693 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccoc1 ZINC000820438657 945449218 /nfs/dbraw/zinc/44/92/18/945449218.db2.gz UFDIFLBVZOWRFL-NSHDSACASA-N -1 3 390.425 0.785 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccoc1 ZINC000820438657 945449221 /nfs/dbraw/zinc/44/92/21/945449221.db2.gz UFDIFLBVZOWRFL-NSHDSACASA-N -1 3 390.425 0.785 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC1(C)C ZINC000820438491 945449499 /nfs/dbraw/zinc/44/94/99/945449499.db2.gz QPJTZZZQZFNLKW-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC1(C)C ZINC000820438491 945449503 /nfs/dbraw/zinc/44/95/03/945449503.db2.gz QPJTZZZQZFNLKW-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM CC(C)N(C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820447113 945453244 /nfs/dbraw/zinc/45/32/44/945453244.db2.gz YGEYRYLQPWCABL-NSHDSACASA-N -1 3 378.458 0.933 20 0 GCADHM CC(C)N(C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820447113 945453245 /nfs/dbraw/zinc/45/32/45/945453245.db2.gz YGEYRYLQPWCABL-NSHDSACASA-N -1 3 378.458 0.933 20 0 GCADHM C[C@@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000820497136 945464630 /nfs/dbraw/zinc/46/46/30/945464630.db2.gz PZWYFJCDMQPPJY-RISCZKNCSA-N -1 3 386.412 0.065 20 0 GCADHM C[C@@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000820497136 945464635 /nfs/dbraw/zinc/46/46/35/945464635.db2.gz PZWYFJCDMQPPJY-RISCZKNCSA-N -1 3 386.412 0.065 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cnsn1)C2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571263739 945466079 /nfs/dbraw/zinc/46/60/79/945466079.db2.gz XMBLXWPYZHJBHJ-NDMJEZRESA-N -1 3 385.457 0.829 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(Cc1cnsn1)C2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571263739 945466084 /nfs/dbraw/zinc/46/60/84/945466084.db2.gz XMBLXWPYZHJBHJ-NDMJEZRESA-N -1 3 385.457 0.829 20 0 GCADHM CNC(=O)CN1CCCN(C(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571263927 945472259 /nfs/dbraw/zinc/47/22/59/945472259.db2.gz CDXNXGKMRJCMJT-CQSZACIVSA-N -1 3 385.472 0.326 20 0 GCADHM CNC(=O)CN1CCCN(C(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571263927 945472266 /nfs/dbraw/zinc/47/22/66/945472266.db2.gz CDXNXGKMRJCMJT-CQSZACIVSA-N -1 3 385.472 0.326 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)NC(=O)NC1=O ZINC000820606781 945496059 /nfs/dbraw/zinc/49/60/59/945496059.db2.gz CTFUCKCQRASVPG-SCLBCKFNSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820606781 945496069 /nfs/dbraw/zinc/49/60/69/945496069.db2.gz CTFUCKCQRASVPG-SCLBCKFNSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)C2)NC(=O)NC1=O ZINC000820606972 945497433 /nfs/dbraw/zinc/49/74/33/945497433.db2.gz HHEVBQOYBQJKSD-SGTLLEGYSA-N -1 3 399.411 0.082 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)C2)NC(=O)NC1=O ZINC000820606972 945497439 /nfs/dbraw/zinc/49/74/39/945497439.db2.gz HHEVBQOYBQJKSD-SGTLLEGYSA-N -1 3 399.411 0.082 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)c3sccc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820607294 945499363 /nfs/dbraw/zinc/49/93/63/945499363.db2.gz PGSUUJVLQUSZNW-ANRSDYALSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)c3sccc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820607294 945499371 /nfs/dbraw/zinc/49/93/71/945499371.db2.gz PGSUUJVLQUSZNW-ANRSDYALSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@@]1(C2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)NC(=O)NC1=O ZINC000820613309 945499451 /nfs/dbraw/zinc/49/94/51/945499451.db2.gz ZPZDWIPIKRVFDP-KRWDZBQOSA-N -1 3 384.400 0.709 20 0 GCADHM C[C@@]1(C2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)NC(=O)NC1=O ZINC000820613309 945499457 /nfs/dbraw/zinc/49/94/57/945499457.db2.gz ZPZDWIPIKRVFDP-KRWDZBQOSA-N -1 3 384.400 0.709 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820607350 945499775 /nfs/dbraw/zinc/49/97/75/945499775.db2.gz RLFMOILBIKGKAR-KPZWWZAWSA-N -1 3 399.411 0.082 20 0 GCADHM C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001571265233 945505454 /nfs/dbraw/zinc/50/54/54/945505454.db2.gz DAKRSVGRUZQVOA-ZIAGYGMSSA-N -1 3 385.476 0.213 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)CN3CCCC3)[C@H]2C)n1 ZINC001571265439 945509269 /nfs/dbraw/zinc/50/92/69/945509269.db2.gz JZAWUYMJQZTFRJ-KGLIPLIRSA-N -1 3 385.476 0.534 20 0 GCADHM CN1CCCC[C@@H]1C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571265844 945523821 /nfs/dbraw/zinc/52/38/21/945523821.db2.gz QOTZLHKJBSMGCA-JXQTWKCFSA-N -1 3 385.476 0.980 20 0 GCADHM Cc1nsc(N[C@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC001571266723 945552177 /nfs/dbraw/zinc/55/21/77/945552177.db2.gz XYMWNUZBWHTWNH-IUCAKERBSA-N -1 3 385.475 0.078 20 0 GCADHM O=C(N[C@H]1CCN(CC=C(Cl)Cl)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571266927 945557018 /nfs/dbraw/zinc/55/70/18/945557018.db2.gz CQDBOTJHMIEWHW-GZMMTYOYSA-N -1 3 386.243 0.679 20 0 GCADHM O=C(N[C@H]1CCN(CC=C(Cl)Cl)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571266927 945557026 /nfs/dbraw/zinc/55/70/26/945557026.db2.gz CQDBOTJHMIEWHW-GZMMTYOYSA-N -1 3 386.243 0.679 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)on1 ZINC001571267079 945561039 /nfs/dbraw/zinc/56/10/39/945561039.db2.gz IQXDTBGPXWSXQZ-JTQLQIEISA-N -1 3 386.372 0.226 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)on1 ZINC001571267079 945561047 /nfs/dbraw/zinc/56/10/47/945561047.db2.gz IQXDTBGPXWSXQZ-JTQLQIEISA-N -1 3 386.372 0.226 20 0 GCADHM CO[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1NC(=O)c1c[nH]nc1C ZINC001571267052 945561318 /nfs/dbraw/zinc/56/13/18/945561318.db2.gz HWCGSOVEOWHKRO-TZMCWYRMSA-N -1 3 386.391 0.671 20 0 GCADHM CO[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1NC(=O)c1c[nH]nc1C ZINC001571267052 945561325 /nfs/dbraw/zinc/56/13/25/945561325.db2.gz HWCGSOVEOWHKRO-TZMCWYRMSA-N -1 3 386.391 0.671 20 0 GCADHM Cc1[nH]ccc1C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001571267107 945561630 /nfs/dbraw/zinc/56/16/30/945561630.db2.gz JGZVSSDYQCRFKX-LBPRGKRZSA-N -1 3 386.391 0.673 20 0 GCADHM Cc1[nH]ccc1C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001571267107 945561632 /nfs/dbraw/zinc/56/16/32/945561632.db2.gz JGZVSSDYQCRFKX-LBPRGKRZSA-N -1 3 386.391 0.673 20 0 GCADHM COC(=O)c1cc(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)nn1C ZINC001571267181 945563251 /nfs/dbraw/zinc/56/32/51/945563251.db2.gz LXVBOYRVDHNVNN-UHFFFAOYSA-N -1 3 386.372 0.717 20 0 GCADHM COC(=O)c1cc(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)nn1C ZINC001571267181 945563257 /nfs/dbraw/zinc/56/32/57/945563257.db2.gz LXVBOYRVDHNVNN-UHFFFAOYSA-N -1 3 386.372 0.717 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2-c2nnn[n-]2)O1 ZINC001571267281 945566812 /nfs/dbraw/zinc/56/68/12/945566812.db2.gz OXPXIIHIPAPXGF-DTWKUNHWSA-N -1 3 386.290 0.737 20 0 GCADHM CCOc1nc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)co1 ZINC001571267301 945567128 /nfs/dbraw/zinc/56/71/28/945567128.db2.gz PVSKTJQRBLZCPY-VIFPVBQESA-N -1 3 386.372 0.226 20 0 GCADHM CCOc1nc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)co1 ZINC001571267301 945567133 /nfs/dbraw/zinc/56/71/33/945567133.db2.gz PVSKTJQRBLZCPY-VIFPVBQESA-N -1 3 386.372 0.226 20 0 GCADHM CCn1nc(C)c(C(=O)N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571267676 945575481 /nfs/dbraw/zinc/57/54/81/945575481.db2.gz BOUCNLZKHCUZIC-NSHDSACASA-N -1 3 386.395 0.647 20 0 GCADHM CCn1nc(C)c(C(=O)N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571267676 945575484 /nfs/dbraw/zinc/57/54/84/945575484.db2.gz BOUCNLZKHCUZIC-NSHDSACASA-N -1 3 386.395 0.647 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CN1C(=O)CCn1ccnn1 ZINC001571267691 945577733 /nfs/dbraw/zinc/57/77/33/945577733.db2.gz BRQYCGHWQHTQBP-ZYHUDNBSSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CN1C(=O)CCn1ccnn1 ZINC001571267691 945577738 /nfs/dbraw/zinc/57/77/38/945577738.db2.gz BRQYCGHWQHTQBP-ZYHUDNBSSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571267818 945578532 /nfs/dbraw/zinc/57/85/32/945578532.db2.gz GAGFGBDJOWTTIU-BXKDBHETSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571267818 945578547 /nfs/dbraw/zinc/57/85/47/945578547.db2.gz GAGFGBDJOWTTIU-BXKDBHETSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@H]1CN(C(=O)c2cnnn2C)CC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571267931 945582862 /nfs/dbraw/zinc/58/28/62/945582862.db2.gz JIXSMLNDYYDNKQ-JOYOIKCWSA-N -1 3 386.395 0.492 20 0 GCADHM C[C@H]1CN(C(=O)c2cnnn2C)CC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571267931 945582871 /nfs/dbraw/zinc/58/28/71/945582871.db2.gz JIXSMLNDYYDNKQ-JOYOIKCWSA-N -1 3 386.395 0.492 20 0 GCADHM Cn1ccc(C(=O)N2CCO[C@H](CNc3cccc(F)c3-c3nnn[n-]3)C2)n1 ZINC001571267999 945583752 /nfs/dbraw/zinc/58/37/52/945583752.db2.gz KUGSELMFIYAGIF-LLVKDONJSA-N -1 3 386.391 0.692 20 0 GCADHM Cn1ccc(C(=O)N2CCO[C@H](CNc3cccc(F)c3-c3nn[n-]n3)C2)n1 ZINC001571267999 945583755 /nfs/dbraw/zinc/58/37/55/945583755.db2.gz KUGSELMFIYAGIF-LLVKDONJSA-N -1 3 386.391 0.692 20 0 GCADHM COC(=O)c1ccnc(S(=O)(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)c1 ZINC001571268072 945585278 /nfs/dbraw/zinc/58/52/78/945585278.db2.gz MYBQHRMHOZZNSP-UHFFFAOYSA-N -1 3 386.393 0.753 20 0 GCADHM COC(=O)c1ccnc(S(=O)(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)c1 ZINC001571268072 945585286 /nfs/dbraw/zinc/58/52/86/945585286.db2.gz MYBQHRMHOZZNSP-UHFFFAOYSA-N -1 3 386.393 0.753 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001571268074 945585805 /nfs/dbraw/zinc/58/58/05/945585805.db2.gz MZJWYXPJZVCICK-JQWIXIFHSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001571268074 945585808 /nfs/dbraw/zinc/58/58/08/945585808.db2.gz MZJWYXPJZVCICK-JQWIXIFHSA-N -1 3 386.395 0.291 20 0 GCADHM Cc1c(C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)nnn1C ZINC001571268109 945587312 /nfs/dbraw/zinc/58/73/12/945587312.db2.gz OEGGNHRZTAFXMS-HOMQSWHASA-N -1 3 386.395 0.458 20 0 GCADHM Cc1c(C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)nnn1C ZINC001571268109 945587321 /nfs/dbraw/zinc/58/73/21/945587321.db2.gz OEGGNHRZTAFXMS-HOMQSWHASA-N -1 3 386.395 0.458 20 0 GCADHM COc1cc(CN(C)[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)on1 ZINC001571268304 945591553 /nfs/dbraw/zinc/59/15/53/945591553.db2.gz RCRDBGWJCSFQSU-LBPRGKRZSA-N -1 3 386.416 0.928 20 0 GCADHM Cc1c(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)nnn1C ZINC001571268505 945598262 /nfs/dbraw/zinc/59/82/62/945598262.db2.gz UOAJISXNMQAABK-UHFFFAOYSA-N -1 3 386.395 0.797 20 0 GCADHM Cn1cnc(C(=O)NC2CCC(Nc3ncc(-c4nnn[n-]4)cc3F)CC2)n1 ZINC001571268629 945600015 /nfs/dbraw/zinc/60/00/15/945600015.db2.gz VEHHFTXXNMPNDX-UHFFFAOYSA-N -1 3 386.395 0.682 20 0 GCADHM Cn1cnc(C(=O)NC2CCC(Nc3ncc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC001571268629 945600018 /nfs/dbraw/zinc/60/00/18/945600018.db2.gz VEHHFTXXNMPNDX-UHFFFAOYSA-N -1 3 386.395 0.682 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571268668 945602424 /nfs/dbraw/zinc/60/24/24/945602424.db2.gz WKACVLIDEGOZLX-ONGXEEELSA-N -1 3 386.395 0.540 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571268668 945602426 /nfs/dbraw/zinc/60/24/26/945602426.db2.gz WKACVLIDEGOZLX-ONGXEEELSA-N -1 3 386.395 0.540 20 0 GCADHM C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571268924 945607885 /nfs/dbraw/zinc/60/78/85/945607885.db2.gz ZPYLDPHIHGUYSX-ONGXEEELSA-N -1 3 386.395 0.350 20 0 GCADHM C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571268924 945607886 /nfs/dbraw/zinc/60/78/86/945607886.db2.gz ZPYLDPHIHGUYSX-ONGXEEELSA-N -1 3 386.395 0.350 20 0 GCADHM Cc1nc(CN2CCOC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)oc1C ZINC001571269089 945611804 /nfs/dbraw/zinc/61/18/04/945611804.db2.gz OLVYKTNHUPVOJA-ZDUSSCGKSA-N -1 3 386.416 0.430 20 0 GCADHM Cc1nc(CN2CCOC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)oc1C ZINC001571269089 945611806 /nfs/dbraw/zinc/61/18/06/945611806.db2.gz OLVYKTNHUPVOJA-ZDUSSCGKSA-N -1 3 386.416 0.430 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001571269359 945617699 /nfs/dbraw/zinc/61/76/99/945617699.db2.gz WKMDVLAQLRNWAQ-OUAUKWLOSA-N -1 3 386.416 0.227 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)[C@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001571269359 945617704 /nfs/dbraw/zinc/61/77/04/945617704.db2.gz WKMDVLAQLRNWAQ-OUAUKWLOSA-N -1 3 386.416 0.227 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)ns1 ZINC001571269644 945622908 /nfs/dbraw/zinc/62/29/08/945622908.db2.gz BNHHDTPXIIUBTR-JTQLQIEISA-N -1 3 386.441 0.946 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)ns1 ZINC001571269644 945622914 /nfs/dbraw/zinc/62/29/14/945622914.db2.gz BNHHDTPXIIUBTR-JTQLQIEISA-N -1 3 386.441 0.946 20 0 GCADHM C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571269888 945627506 /nfs/dbraw/zinc/62/75/06/945627506.db2.gz GUPLLLFNIAVSKB-NXEZZACHSA-N -1 3 386.441 0.789 20 0 GCADHM C[C@@H]1CN(C(=O)c2cncs2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571269888 945627512 /nfs/dbraw/zinc/62/75/12/945627512.db2.gz GUPLLLFNIAVSKB-NXEZZACHSA-N -1 3 386.441 0.789 20 0 GCADHM Cc1nc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cs1 ZINC001571269965 945629472 /nfs/dbraw/zinc/62/94/72/945629472.db2.gz JBVOMJXMARUVNP-MGCOHNPYSA-N -1 3 386.441 0.898 20 0 GCADHM Cc1nc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cs1 ZINC001571269965 945629474 /nfs/dbraw/zinc/62/94/74/945629474.db2.gz JBVOMJXMARUVNP-MGCOHNPYSA-N -1 3 386.441 0.898 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)c1cn[nH]c(=O)c1 ZINC001571270093 945631738 /nfs/dbraw/zinc/63/17/38/945631738.db2.gz MWLOPUGJEZPSBH-NSHDSACASA-N -1 3 386.441 0.818 20 0 GCADHM Cc1ncsc1C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571270232 945633432 /nfs/dbraw/zinc/63/34/32/945633432.db2.gz NYBHYAQNEDTRMO-UHFFFAOYSA-N -1 3 386.441 0.994 20 0 GCADHM Cc1ncsc1C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571270232 945633439 /nfs/dbraw/zinc/63/34/39/945633439.db2.gz NYBHYAQNEDTRMO-UHFFFAOYSA-N -1 3 386.441 0.994 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)Cc1cncs1 ZINC001571270378 945635073 /nfs/dbraw/zinc/63/50/73/945635073.db2.gz RTVQNZPMJRGQJB-KOLCDFICSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)Cc1cncs1 ZINC001571270378 945635081 /nfs/dbraw/zinc/63/50/81/945635081.db2.gz RTVQNZPMJRGQJB-KOLCDFICSA-N -1 3 386.441 0.613 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)c1ncccn1 ZINC001571270431 945636709 /nfs/dbraw/zinc/63/67/09/945636709.db2.gz SZFVEJQGSZULMH-NSHDSACASA-N -1 3 386.441 0.349 20 0 GCADHM Cc1nsc(C)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571270558 945636937 /nfs/dbraw/zinc/63/69/37/945636937.db2.gz VAAXYJLWEUGWFY-JTQLQIEISA-N -1 3 386.441 0.913 20 0 GCADHM Cc1nsc(C)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571270558 945636942 /nfs/dbraw/zinc/63/69/42/945636942.db2.gz VAAXYJLWEUGWFY-JTQLQIEISA-N -1 3 386.441 0.913 20 0 GCADHM CCc1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)s1 ZINC001571270583 945638482 /nfs/dbraw/zinc/63/84/82/945638482.db2.gz VVRCCSALNAEIBH-AOOOYVTPSA-N -1 3 386.441 0.905 20 0 GCADHM CCc1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)s1 ZINC001571270583 945638485 /nfs/dbraw/zinc/63/84/85/945638485.db2.gz VVRCCSALNAEIBH-AOOOYVTPSA-N -1 3 386.441 0.905 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)sc1C ZINC001571270564 945638743 /nfs/dbraw/zinc/63/87/43/945638743.db2.gz VESRYOUMDLLDCF-NSHDSACASA-N -1 3 386.441 0.913 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)sc1C ZINC001571270564 945638749 /nfs/dbraw/zinc/63/87/49/945638749.db2.gz VESRYOUMDLLDCF-NSHDSACASA-N -1 3 386.441 0.913 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)C2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)ns1 ZINC001571270598 945639471 /nfs/dbraw/zinc/63/94/71/945639471.db2.gz WHCUMUBVSIOYPQ-VIFPVBQESA-N -1 3 386.441 0.850 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)C2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)ns1 ZINC001571270598 945639476 /nfs/dbraw/zinc/63/94/76/945639476.db2.gz WHCUMUBVSIOYPQ-VIFPVBQESA-N -1 3 386.441 0.850 20 0 GCADHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000821154533 945645240 /nfs/dbraw/zinc/64/52/40/945645240.db2.gz OQMNFCPRWCRCLG-LLVKDONJSA-N -1 3 398.876 0.968 20 0 GCADHM Cn1ccc(CC(=O)N[C@H]2CCCN(Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571271673 945648308 /nfs/dbraw/zinc/64/83/08/945648308.db2.gz HANMOKJEBJHTGT-ZDUSSCGKSA-N -1 3 386.485 0.985 20 0 GCADHM Cc1nn(C)cc1CC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272091 945656029 /nfs/dbraw/zinc/65/60/29/945656029.db2.gz PCKKGWCBGSWXPZ-ZDUSSCGKSA-N -1 3 386.485 0.903 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O)c1cccnc1 ZINC001571272535 945665720 /nfs/dbraw/zinc/66/57/20/945665720.db2.gz VTLYYDCNBRZNAP-OLZOCXBDSA-N -1 3 386.803 0.290 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O)c1cccnc1 ZINC001571272535 945665726 /nfs/dbraw/zinc/66/57/26/945665726.db2.gz VTLYYDCNBRZNAP-OLZOCXBDSA-N -1 3 386.803 0.290 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000821320124 945670418 /nfs/dbraw/zinc/67/04/18/945670418.db2.gz LBDXQVHGLBVIGL-JTQLQIEISA-N -1 3 376.373 0.153 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000821320124 945670420 /nfs/dbraw/zinc/67/04/20/945670420.db2.gz LBDXQVHGLBVIGL-JTQLQIEISA-N -1 3 376.373 0.153 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)ccc1-c1nnn[n-]1 ZINC001571272898 945673097 /nfs/dbraw/zinc/67/30/97/945673097.db2.gz KKFKMZFZURZXFY-IUODEOHRSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571272898 945673105 /nfs/dbraw/zinc/67/31/05/945673105.db2.gz KKFKMZFZURZXFY-IUODEOHRSA-N -1 3 386.460 0.161 20 0 GCADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCC(=O)Nc2ccncc2)n1 ZINC000821343053 945675321 /nfs/dbraw/zinc/67/53/21/945675321.db2.gz JRUVKMKCIUVNMX-UHFFFAOYSA-N -1 3 385.409 0.986 20 0 GCADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCC(=O)Nc2ccncc2)n1 ZINC000821343053 945675327 /nfs/dbraw/zinc/67/53/27/945675327.db2.gz JRUVKMKCIUVNMX-UHFFFAOYSA-N -1 3 385.409 0.986 20 0 GCADHM CN1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571273211 945681302 /nfs/dbraw/zinc/68/13/02/945681302.db2.gz SSPGYJCHZKKXCJ-DZGCQCFKSA-N -1 3 386.460 0.243 20 0 GCADHM CN1CCO[C@@H](C(=O)N2CCC[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571273211 945681309 /nfs/dbraw/zinc/68/13/09/945681309.db2.gz SSPGYJCHZKKXCJ-DZGCQCFKSA-N -1 3 386.460 0.243 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)CN3CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC001571273194 945681826 /nfs/dbraw/zinc/68/18/26/945681826.db2.gz SILRLYRSQITKKL-UHFFFAOYSA-N -1 3 386.460 0.209 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)CN3CCOCC3)C2)ccc1-c1nn[n-]n1 ZINC001571273194 945681829 /nfs/dbraw/zinc/68/18/29/945681829.db2.gz SILRLYRSQITKKL-UHFFFAOYSA-N -1 3 386.460 0.209 20 0 GCADHM CN1CCO[C@H](C(=O)N2CCC[C@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571273212 945682139 /nfs/dbraw/zinc/68/21/39/945682139.db2.gz SSPGYJCHZKKXCJ-HIFRSBDPSA-N -1 3 386.460 0.243 20 0 GCADHM CN1CCO[C@H](C(=O)N2CCC[C@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571273212 945682143 /nfs/dbraw/zinc/68/21/43/945682143.db2.gz SSPGYJCHZKKXCJ-HIFRSBDPSA-N -1 3 386.460 0.243 20 0 GCADHM CCOCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821373872 945685766 /nfs/dbraw/zinc/68/57/66/945685766.db2.gz NABBLMFXFZOURL-LBPRGKRZSA-N -1 3 396.473 0.466 20 0 GCADHM CCOCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821373872 945685775 /nfs/dbraw/zinc/68/57/75/945685775.db2.gz NABBLMFXFZOURL-LBPRGKRZSA-N -1 3 396.473 0.466 20 0 GCADHM O=C(CN1CCOCC1)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571273410 945689029 /nfs/dbraw/zinc/68/90/29/945689029.db2.gz XBYPPHWDRWXZAZ-UHFFFAOYSA-N -1 3 386.460 0.244 20 0 GCADHM O=C(CN1CCOCC1)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571273410 945689035 /nfs/dbraw/zinc/68/90/35/945689035.db2.gz XBYPPHWDRWXZAZ-UHFFFAOYSA-N -1 3 386.460 0.244 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001571274274 945694241 /nfs/dbraw/zinc/69/42/41/945694241.db2.gz DFLWKFUMXNRVAF-PSASIEDQSA-N -1 3 387.379 0.555 20 0 GCADHM C[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001571274277 945694409 /nfs/dbraw/zinc/69/44/09/945694409.db2.gz DFLWKFUMXNRVAF-WPRPVWTQSA-N -1 3 387.379 0.555 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC(O)(CNc2cnc(F)cn2)CC1 ZINC001571274307 945694627 /nfs/dbraw/zinc/69/46/27/945694627.db2.gz FQGCRYBSQAICJL-UHFFFAOYSA-N -1 3 387.379 0.203 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC(O)(CNc2cnc(F)cn2)CC1 ZINC001571274307 945694633 /nfs/dbraw/zinc/69/46/33/945694633.db2.gz FQGCRYBSQAICJL-UHFFFAOYSA-N -1 3 387.379 0.203 20 0 GCADHM C[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001571274276 945695590 /nfs/dbraw/zinc/69/55/90/945695590.db2.gz DFLWKFUMXNRVAF-WCBMZHEXSA-N -1 3 387.379 0.555 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@@](CO)(Nc2cc(F)ncn2)C1 ZINC001571274769 945698808 /nfs/dbraw/zinc/69/88/08/945698808.db2.gz KQFFBZBRTMCQNR-MRXNPFEDSA-N -1 3 387.379 0.203 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@@](CO)(Nc2cc(F)ncn2)C1 ZINC001571274769 945698815 /nfs/dbraw/zinc/69/88/15/945698815.db2.gz KQFFBZBRTMCQNR-MRXNPFEDSA-N -1 3 387.379 0.203 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001571274704 945698850 /nfs/dbraw/zinc/69/88/50/945698850.db2.gz KDKRSUHMGVMJAI-ZIAGYGMSSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001571274704 945698856 /nfs/dbraw/zinc/69/88/56/945698856.db2.gz KDKRSUHMGVMJAI-ZIAGYGMSSA-N -1 3 387.375 0.277 20 0 GCADHM COc1cc(C(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)on1 ZINC001571275091 945703491 /nfs/dbraw/zinc/70/34/91/945703491.db2.gz OVIVSKNZGBVMLQ-UHFFFAOYSA-N -1 3 387.375 0.959 20 0 GCADHM COc1cc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)on1 ZINC001571275091 945703500 /nfs/dbraw/zinc/70/35/00/945703500.db2.gz OVIVSKNZGBVMLQ-UHFFFAOYSA-N -1 3 387.375 0.959 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571275316 945704314 /nfs/dbraw/zinc/70/43/14/945704314.db2.gz SAXQULIQCWXCID-VIFPVBQESA-N -1 3 387.379 0.020 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571275316 945704320 /nfs/dbraw/zinc/70/43/20/945704320.db2.gz SAXQULIQCWXCID-VIFPVBQESA-N -1 3 387.379 0.020 20 0 GCADHM Cn1ccc(C(=O)N2CCO[C@@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571275321 945704333 /nfs/dbraw/zinc/70/43/33/945704333.db2.gz SCDNVTCWWYKUIZ-NSHDSACASA-N -1 3 387.379 0.087 20 0 GCADHM Cn1ccc(C(=O)N2CCO[C@@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571275321 945704335 /nfs/dbraw/zinc/70/43/35/945704335.db2.gz SCDNVTCWWYKUIZ-NSHDSACASA-N -1 3 387.379 0.087 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)o1 ZINC001571275305 945704364 /nfs/dbraw/zinc/70/43/64/945704364.db2.gz RYYKJGXDQFQTNS-GFCCVEGCSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)o1 ZINC001571275305 945704370 /nfs/dbraw/zinc/70/43/70/945704370.db2.gz RYYKJGXDQFQTNS-GFCCVEGCSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)o1 ZINC001571275307 945705068 /nfs/dbraw/zinc/70/50/68/945705068.db2.gz RYYKJGXDQFQTNS-LBPRGKRZSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)o1 ZINC001571275307 945705073 /nfs/dbraw/zinc/70/50/73/945705073.db2.gz RYYKJGXDQFQTNS-LBPRGKRZSA-N -1 3 387.375 0.937 20 0 GCADHM NS(=O)(=O)[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)C1 ZINC001571275344 945705429 /nfs/dbraw/zinc/70/54/29/945705429.db2.gz SELZKVGPMSLDBG-ZETCQYMHSA-N -1 3 387.372 0.430 20 0 GCADHM NS(=O)(=O)[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)C1 ZINC001571275344 945705434 /nfs/dbraw/zinc/70/54/34/945705434.db2.gz SELZKVGPMSLDBG-ZETCQYMHSA-N -1 3 387.372 0.430 20 0 GCADHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2cncc(-c3nnn[n-]3)c2)C1 ZINC001571275673 945711310 /nfs/dbraw/zinc/71/13/10/945711310.db2.gz AHMIVYSTONESNO-CQSZACIVSA-N -1 3 386.460 0.956 20 0 GCADHM CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2cncc(-c3nn[n-]n3)c2)C1 ZINC001571275673 945711319 /nfs/dbraw/zinc/71/13/19/945711319.db2.gz AHMIVYSTONESNO-CQSZACIVSA-N -1 3 386.460 0.956 20 0 GCADHM COCc1noc(CN2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571275959 945720105 /nfs/dbraw/zinc/72/01/05/945720105.db2.gz ALTOBNXYCIBJQH-JTQLQIEISA-N -1 3 387.404 0.119 20 0 GCADHM COCc1noc(CN2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571275959 945720110 /nfs/dbraw/zinc/72/01/10/945720110.db2.gz ALTOBNXYCIBJQH-JTQLQIEISA-N -1 3 387.404 0.119 20 0 GCADHM COCc1noc([C@H](C)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571276010 945720252 /nfs/dbraw/zinc/72/02/52/945720252.db2.gz CBYVOZGZRHEZPN-GXSJLCMTSA-N -1 3 387.404 0.290 20 0 GCADHM COCc1noc([C@H](C)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571276010 945720256 /nfs/dbraw/zinc/72/02/56/945720256.db2.gz CBYVOZGZRHEZPN-GXSJLCMTSA-N -1 3 387.404 0.290 20 0 GCADHM CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001571275972 945721158 /nfs/dbraw/zinc/72/11/58/945721158.db2.gz ATUHUKFGKFRZST-SFDCQRBFSA-N -1 3 387.419 0.720 20 0 GCADHM CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001571275972 945721166 /nfs/dbraw/zinc/72/11/66/945721166.db2.gz ATUHUKFGKFRZST-SFDCQRBFSA-N -1 3 387.419 0.720 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@H]1C1CC1 ZINC001571276171 945724991 /nfs/dbraw/zinc/72/49/91/945724991.db2.gz DNXVCUCQZRCRAI-HZSPNIEDSA-N -1 3 387.419 0.768 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@H]1C1CC1 ZINC001571276171 945724997 /nfs/dbraw/zinc/72/49/97/945724997.db2.gz DNXVCUCQZRCRAI-HZSPNIEDSA-N -1 3 387.419 0.768 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571276136 945726007 /nfs/dbraw/zinc/72/60/07/945726007.db2.gz HUVRJJQQYVLTEC-XJKSGUPXSA-N -1 3 386.460 0.067 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571276136 945726015 /nfs/dbraw/zinc/72/60/15/945726015.db2.gz HUVRJJQQYVLTEC-XJKSGUPXSA-N -1 3 386.460 0.067 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)c1csnn1 ZINC001571276204 945727965 /nfs/dbraw/zinc/72/79/65/945727965.db2.gz FIGDTAQXUUSEJZ-OWUUHHOZSA-N -1 3 387.404 0.365 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)c1csnn1 ZINC001571276204 945727970 /nfs/dbraw/zinc/72/79/70/945727970.db2.gz FIGDTAQXUUSEJZ-OWUUHHOZSA-N -1 3 387.404 0.365 20 0 GCADHM CN1CC[C@H](C(=O)N[C@H]2C[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CC1=O ZINC001571276280 945729178 /nfs/dbraw/zinc/72/91/78/945729178.db2.gz GUGINTIVQMXIOL-SRVKXCTJSA-N -1 3 387.419 0.933 20 0 GCADHM CN1CC[C@H](C(=O)N[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CC1=O ZINC001571276280 945729182 /nfs/dbraw/zinc/72/91/82/945729182.db2.gz GUGINTIVQMXIOL-SRVKXCTJSA-N -1 3 387.419 0.933 20 0 GCADHM CN(CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C(=O)C1CC1 ZINC000821593802 945733077 /nfs/dbraw/zinc/73/30/77/945733077.db2.gz KTLVELLICLYSQU-UHFFFAOYSA-N -1 3 383.368 0.828 20 0 GCADHM CN(CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C(=O)C1CC1 ZINC000821593802 945733082 /nfs/dbraw/zinc/73/30/82/945733082.db2.gz KTLVELLICLYSQU-UHFFFAOYSA-N -1 3 383.368 0.828 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571276966 945737165 /nfs/dbraw/zinc/73/71/65/945737165.db2.gz LRUIKCDKEIHBAJ-OLZOCXBDSA-N -1 3 387.419 0.365 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001571277011 945738973 /nfs/dbraw/zinc/73/89/73/945738973.db2.gz MSVRYIYMELMZOV-HZPDHXFCSA-N -1 3 387.421 0.680 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001571277011 945738975 /nfs/dbraw/zinc/73/89/75/945738975.db2.gz MSVRYIYMELMZOV-HZPDHXFCSA-N -1 3 387.421 0.680 20 0 GCADHM Cc1ccc(CNC(=O)NC[C@@]23COC(=O)N2CCOC3)cc1-c1nnn[n-]1 ZINC001571277448 945743470 /nfs/dbraw/zinc/74/34/70/945743470.db2.gz QZTXRMDBUHSCCI-QGZVFWFLSA-N -1 3 387.400 0.196 20 0 GCADHM Cc1ccc(CNC(=O)NC[C@@]23COC(=O)N2CCOC3)cc1-c1nn[n-]n1 ZINC001571277448 945743478 /nfs/dbraw/zinc/74/34/78/945743478.db2.gz QZTXRMDBUHSCCI-QGZVFWFLSA-N -1 3 387.400 0.196 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)C2=COCCO2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571278046 945746094 /nfs/dbraw/zinc/74/60/94/945746094.db2.gz VCZFFLOIYRXURL-LLVKDONJSA-N -1 3 387.400 0.051 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)C2=COCCO2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571278046 945746102 /nfs/dbraw/zinc/74/61/02/945746102.db2.gz VCZFFLOIYRXURL-LLVKDONJSA-N -1 3 387.400 0.051 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(C(=O)C2=COCCO2)CC1 ZINC001571277828 945746161 /nfs/dbraw/zinc/74/61/61/945746161.db2.gz UBXZNVHRQTUJMP-UHFFFAOYSA-N -1 3 387.400 0.146 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(C(=O)C2=COCCO2)CC1 ZINC001571277828 945746168 /nfs/dbraw/zinc/74/61/68/945746168.db2.gz UBXZNVHRQTUJMP-UHFFFAOYSA-N -1 3 387.400 0.146 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001571277758 945746549 /nfs/dbraw/zinc/74/65/49/945746549.db2.gz SQVPHXBOZBMVTL-GXFFZTMASA-N -1 3 387.419 0.885 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001571277758 945746555 /nfs/dbraw/zinc/74/65/55/945746555.db2.gz SQVPHXBOZBMVTL-GXFFZTMASA-N -1 3 387.419 0.885 20 0 GCADHM C[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001571277816 945746644 /nfs/dbraw/zinc/74/66/44/945746644.db2.gz TVTCZJSFYKJVKN-KKOKHZNYSA-N -1 3 387.419 0.316 20 0 GCADHM C[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001571277816 945746651 /nfs/dbraw/zinc/74/66/51/945746651.db2.gz TVTCZJSFYKJVKN-KKOKHZNYSA-N -1 3 387.419 0.316 20 0 GCADHM CN1C(=O)c2ccc(NC(=O)COC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2C1=O ZINC000821620173 945748267 /nfs/dbraw/zinc/74/82/67/945748267.db2.gz ARKUABYSUWIDQD-UHFFFAOYSA-N -1 3 395.335 0.216 20 0 GCADHM CN1C(=O)c2ccc(NC(=O)COC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2C1=O ZINC000821620173 945748275 /nfs/dbraw/zinc/74/82/75/945748275.db2.gz ARKUABYSUWIDQD-UHFFFAOYSA-N -1 3 395.335 0.216 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)CC1=O ZINC000821620688 945749609 /nfs/dbraw/zinc/74/96/09/945749609.db2.gz RVQITCSRQOGKGI-LBPRGKRZSA-N -1 3 388.407 0.068 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571278314 945751222 /nfs/dbraw/zinc/75/12/22/945751222.db2.gz XQUWCGXGMMBSEF-IJLUTSLNSA-N -1 3 387.419 0.981 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571278314 945751231 /nfs/dbraw/zinc/75/12/31/945751231.db2.gz XQUWCGXGMMBSEF-IJLUTSLNSA-N -1 3 387.419 0.981 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ncc(-c2nnn[n-]2)cc1F ZINC001571278347 945751458 /nfs/dbraw/zinc/75/14/58/945751458.db2.gz YEEDSLJHRCIGTB-RMRHIDDWSA-N -1 3 387.419 0.720 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1ncc(-c2nn[n-]n2)cc1F ZINC001571278347 945751468 /nfs/dbraw/zinc/75/14/68/945751468.db2.gz YEEDSLJHRCIGTB-RMRHIDDWSA-N -1 3 387.419 0.720 20 0 GCADHM 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945797182 /nfs/dbraw/zinc/79/71/82/945797182.db2.gz XQURKMASTDUQIX-CQSZACIVSA-N -1 3 390.423 0.306 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573447464 945801276 /nfs/dbraw/zinc/80/12/76/945801276.db2.gz YXTGDFNILILOJT-QMTHXVAHSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573447464 945801282 /nfs/dbraw/zinc/80/12/82/945801282.db2.gz YXTGDFNILILOJT-QMTHXVAHSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573448362 945806153 /nfs/dbraw/zinc/80/61/53/945806153.db2.gz IWAFEZZSBKXAAM-SWLSCSKDSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573448362 945806163 /nfs/dbraw/zinc/80/61/63/945806163.db2.gz IWAFEZZSBKXAAM-SWLSCSKDSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573448792 945809015 /nfs/dbraw/zinc/80/90/15/945809015.db2.gz 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CC(=O)N[C@@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573452113 945846276 /nfs/dbraw/zinc/84/62/76/945846276.db2.gz BAODAOJFERUVFD-MRXNPFEDSA-N -1 3 386.460 0.509 20 0 GCADHM O=C(CCC1CCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001571282572 945850726 /nfs/dbraw/zinc/85/07/26/945850726.db2.gz KZVFXQOOCVDSTR-HIFRSBDPSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(CCC1CCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001571282572 945850738 /nfs/dbraw/zinc/85/07/38/945850738.db2.gz KZVFXQOOCVDSTR-HIFRSBDPSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(CC[C@H]1CCOC1)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571282537 945851145 /nfs/dbraw/zinc/85/11/45/945851145.db2.gz JREGAZSZAIKVHN-ZDUSSCGKSA-N -1 3 387.444 0.686 20 0 GCADHM O=C(CC[C@H]1CCOC1)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571282537 945851162 /nfs/dbraw/zinc/85/11/62/945851162.db2.gz JREGAZSZAIKVHN-ZDUSSCGKSA-N -1 3 387.444 0.686 20 0 GCADHM O=C([C@@H]1CCCCO1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1 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/nfs/dbraw/zinc/86/47/33/945864733.db2.gz SNMLIWGRRKCZAB-CHWSQXEVSA-N -1 3 387.444 0.590 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573453790 945865362 /nfs/dbraw/zinc/86/53/62/945865362.db2.gz QGBXNDYBWOFAQQ-KPZWWZAWSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573453790 945865370 /nfs/dbraw/zinc/86/53/70/945865370.db2.gz QGBXNDYBWOFAQQ-KPZWWZAWSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573453791 945867383 /nfs/dbraw/zinc/86/73/83/945867383.db2.gz QGBXNDYBWOFAQQ-KZULUSFZSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573453791 945867394 /nfs/dbraw/zinc/86/73/94/945867394.db2.gz QGBXNDYBWOFAQQ-KZULUSFZSA-N -1 3 388.476 0.977 20 0 GCADHM O=C(C[C@@H]1CCOC1)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571282946 945867940 /nfs/dbraw/zinc/86/79/40/945867940.db2.gz 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ZINC001571284561 945902035 /nfs/dbraw/zinc/90/20/35/945902035.db2.gz QVFLVDDVBVFQPN-VIFPVBQESA-N -1 3 387.791 0.419 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573457046 945902139 /nfs/dbraw/zinc/90/21/39/945902139.db2.gz SSCLWUHOWOFCSK-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573457046 945902143 /nfs/dbraw/zinc/90/21/43/945902143.db2.gz SSCLWUHOWOFCSK-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573457049 945903376 /nfs/dbraw/zinc/90/33/76/945903376.db2.gz SSCLWUHOWOFCSK-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM O=C(N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(-c2nnn[n-]2)ccn1 ZINC001571284558 945903297 /nfs/dbraw/zinc/90/32/97/945903297.db2.gz QVFLVDDVBVFQPN-SECBINFHSA-N -1 3 387.791 0.419 20 0 GCADHM O=C(N[C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(-c2nn[n-]n2)ccn1 ZINC001571284558 945903307 /nfs/dbraw/zinc/90/33/07/945903307.db2.gz QVFLVDDVBVFQPN-SECBINFHSA-N -1 3 387.791 0.419 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573457049 945903388 /nfs/dbraw/zinc/90/33/88/945903388.db2.gz SSCLWUHOWOFCSK-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573457048 945903662 /nfs/dbraw/zinc/90/36/62/945903662.db2.gz SSCLWUHOWOFCSK-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573457048 945903673 /nfs/dbraw/zinc/90/36/73/945903673.db2.gz SSCLWUHOWOFCSK-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)c1cn[nH]c(=O)c1 ZINC001571284435 945903621 /nfs/dbraw/zinc/90/36/21/945903621.db2.gz QLMZBLMHHOVFCO-JTQLQIEISA-N -1 3 387.791 0.419 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)c1cn[nH]c(=O)c1 ZINC001571284435 945903631 /nfs/dbraw/zinc/90/36/31/945903631.db2.gz QLMZBLMHHOVFCO-JTQLQIEISA-N -1 3 387.791 0.419 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)c1ccc(Cl)o1 ZINC001571284599 945903824 /nfs/dbraw/zinc/90/38/24/945903824.db2.gz RNOQHRSXLDCHBE-BWPRHRIFSA-N -1 3 387.787 0.942 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)c1ccc(Cl)o1 ZINC001571284599 945903829 /nfs/dbraw/zinc/90/38/29/945903829.db2.gz RNOQHRSXLDCHBE-BWPRHRIFSA-N -1 3 387.787 0.942 20 0 GCADHM CN(C(=O)c1cc(Cl)n(C)n1)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571284889 945907028 /nfs/dbraw/zinc/90/70/28/945907028.db2.gz VZMMBXPMECUQPX-JTQLQIEISA-N -1 3 387.835 1.000 20 0 GCADHM CN(C(=O)c1cc(Cl)n(C)n1)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571284889 945907039 /nfs/dbraw/zinc/90/70/39/945907039.db2.gz VZMMBXPMECUQPX-JTQLQIEISA-N -1 3 387.835 1.000 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573457578 945907486 /nfs/dbraw/zinc/90/74/86/945907486.db2.gz XODDLRLUEFPEPW-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573457578 945907500 /nfs/dbraw/zinc/90/75/00/945907500.db2.gz XODDLRLUEFPEPW-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001573458999 945909852 /nfs/dbraw/zinc/90/98/52/945909852.db2.gz CHGLYEBDPQINGJ-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001573458999 945909858 /nfs/dbraw/zinc/90/98/58/945909858.db2.gz CHGLYEBDPQINGJ-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001573459004 945911189 /nfs/dbraw/zinc/91/11/89/945911189.db2.gz CMKVGZRXWZONJP-UHFFFAOYSA-N -1 3 391.407 0.754 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001573459004 945911195 /nfs/dbraw/zinc/91/11/95/945911195.db2.gz CMKVGZRXWZONJP-UHFFFAOYSA-N -1 3 391.407 0.754 20 0 GCADHM O=S(=O)(NC[C@H](CO)[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571285322 945913821 /nfs/dbraw/zinc/91/38/21/945913821.db2.gz BAKWFHPPTWYFPC-VHSXEESVSA-N -1 3 387.849 0.443 20 0 GCADHM O=S(=O)(NC[C@H](CO)[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571285322 945913826 /nfs/dbraw/zinc/91/38/26/945913826.db2.gz BAKWFHPPTWYFPC-VHSXEESVSA-N -1 3 387.849 0.443 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC001573460084 945914656 /nfs/dbraw/zinc/91/46/56/945914656.db2.gz ISWPYXYUUDYHQA-UHFFFAOYSA-N -1 3 387.444 0.639 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC001573460084 945914664 /nfs/dbraw/zinc/91/46/64/945914664.db2.gz ISWPYXYUUDYHQA-UHFFFAOYSA-N -1 3 387.444 0.639 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001571285397 945914775 /nfs/dbraw/zinc/91/47/75/945914775.db2.gz CPBGBACUCYJTSR-KBPBESRZSA-N -1 3 388.403 0.459 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571285397 945914784 /nfs/dbraw/zinc/91/47/84/945914784.db2.gz CPBGBACUCYJTSR-KBPBESRZSA-N -1 3 388.403 0.459 20 0 GCADHM CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)C2)NC1=O ZINC001571285465 945917382 /nfs/dbraw/zinc/91/73/82/945917382.db2.gz FJJZJDQKZFGJKJ-PWSUYJOCSA-N -1 3 388.407 0.114 20 0 GCADHM CN1C[C@@H](C(=O)N[C@@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)NC1=O ZINC001571285465 945917385 /nfs/dbraw/zinc/91/73/85/945917385.db2.gz FJJZJDQKZFGJKJ-PWSUYJOCSA-N -1 3 388.407 0.114 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1C[C@H](O)[C@@H](CO)C1 ZINC001571285593 945919856 /nfs/dbraw/zinc/91/98/56/945919856.db2.gz JJYXSQIHHZIKEM-SKDRFNHKSA-N -1 3 388.363 0.008 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573460879 945920580 /nfs/dbraw/zinc/92/05/80/945920580.db2.gz MVEIATBVOJTMPA-HOTGVXAUSA-N -1 3 383.456 0.567 20 0 GCADHM O=C(Cc1ncc[nH]1)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571285699 945925097 /nfs/dbraw/zinc/92/50/97/945925097.db2.gz LUQQXFZKBXUJEA-LLVKDONJSA-N -1 3 387.835 0.966 20 0 GCADHM O=C(Cc1ncc[nH]1)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571285699 945925104 /nfs/dbraw/zinc/92/51/04/945925104.db2.gz LUQQXFZKBXUJEA-LLVKDONJSA-N -1 3 387.835 0.966 20 0 GCADHM CN1C[C@@H](C(=O)NC[C@@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)NC1=O ZINC001571285742 945926156 /nfs/dbraw/zinc/92/61/56/945926156.db2.gz MSMBEBKMYBTNOW-JQWIXIFHSA-N -1 3 388.407 0.114 20 0 GCADHM CN1C[C@@H](C(=O)NC[C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)NC1=O ZINC001571285742 945926162 /nfs/dbraw/zinc/92/61/62/945926162.db2.gz MSMBEBKMYBTNOW-JQWIXIFHSA-N -1 3 388.407 0.114 20 0 GCADHM CN(C(=O)C[C@H]1COC(=O)C1)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571285811 945927441 /nfs/dbraw/zinc/92/74/41/945927441.db2.gz OPVHXAMCYXDQNR-LLVKDONJSA-N -1 3 388.403 0.602 20 0 GCADHM CN(C(=O)C[C@H]1COC(=O)C1)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571285811 945927452 /nfs/dbraw/zinc/92/74/52/945927452.db2.gz OPVHXAMCYXDQNR-LLVKDONJSA-N -1 3 388.403 0.602 20 0 GCADHM CN1C[C@@H](C(=O)N2CCC[C@H]2CNc2ncc(-c3nnn[n-]3)cc2F)CC1=O ZINC001571285783 945928690 /nfs/dbraw/zinc/92/86/90/945928690.db2.gz OBXILJUTJVTNRK-RYUDHWBXSA-N -1 3 388.407 0.282 20 0 GCADHM CN1C[C@@H](C(=O)N2CCC[C@H]2CNc2ncc(-c3nn[n-]n3)cc2F)CC1=O ZINC001571285783 945928699 /nfs/dbraw/zinc/92/86/99/945928699.db2.gz OBXILJUTJVTNRK-RYUDHWBXSA-N -1 3 388.407 0.282 20 0 GCADHM Cn1ncc(Cl)c1C(=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571285813 945928739 /nfs/dbraw/zinc/92/87/39/945928739.db2.gz ORBZETVIVRZTPC-JTQLQIEISA-N -1 3 387.835 0.905 20 0 GCADHM Cn1ncc(Cl)c1C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571285813 945928749 /nfs/dbraw/zinc/92/87/49/945928749.db2.gz ORBZETVIVRZTPC-JTQLQIEISA-N -1 3 387.835 0.905 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573462038 945929926 /nfs/dbraw/zinc/92/99/26/945929926.db2.gz WTLGJMAGLRKLJP-OKILXGFUSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573462038 945929930 /nfs/dbraw/zinc/92/99/30/945929930.db2.gz WTLGJMAGLRKLJP-OKILXGFUSA-N -1 3 384.444 0.071 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285877 945929992 /nfs/dbraw/zinc/92/99/92/945929992.db2.gz QAEKCMYKZQUJCU-CHWSQXEVSA-N -1 3 388.403 0.650 20 0 GCADHM CN(C(=O)C[C@@H]1COC(=O)C1)[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571285898 945931093 /nfs/dbraw/zinc/93/10/93/945931093.db2.gz QVURQHQQKYAWBS-RYUDHWBXSA-N -1 3 388.403 0.996 20 0 GCADHM CN(C(=O)C[C@@H]1COC(=O)C1)[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571285898 945931098 /nfs/dbraw/zinc/93/10/98/945931098.db2.gz QVURQHQQKYAWBS-RYUDHWBXSA-N -1 3 388.403 0.996 20 0 GCADHM CN(C(=O)CN1CCCC1=O)C1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571285957 945932510 /nfs/dbraw/zinc/93/25/10/945932510.db2.gz SPBNLRJOFMJFCG-UHFFFAOYSA-N -1 3 388.407 0.425 20 0 GCADHM CN(C(=O)CN1CCCC1=O)C1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571285957 945932515 /nfs/dbraw/zinc/93/25/15/945932515.db2.gz SPBNLRJOFMJFCG-UHFFFAOYSA-N -1 3 388.407 0.425 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001573462413 945939319 /nfs/dbraw/zinc/93/93/19/945939319.db2.gz ILADXECDOPQRPQ-CYBMUJFWSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001573462413 945939331 /nfs/dbraw/zinc/93/93/31/945939331.db2.gz ILADXECDOPQRPQ-CYBMUJFWSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573462380 945940158 /nfs/dbraw/zinc/94/01/58/945940158.db2.gz HREPUVHKSNXYHS-ZDUSSCGKSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573462380 945940165 /nfs/dbraw/zinc/94/01/65/945940165.db2.gz HREPUVHKSNXYHS-ZDUSSCGKSA-N -1 3 390.423 0.622 20 0 GCADHM O=C([C@@H]1CNC(=O)N1)N1CCC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571286235 945940779 /nfs/dbraw/zinc/94/07/79/945940779.db2.gz BSLRRKJYADAUJA-MFKMUULPSA-N -1 3 388.407 0.338 20 0 GCADHM O=C([C@@H]1CNC(=O)N1)N1CCC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571286235 945940784 /nfs/dbraw/zinc/94/07/84/945940784.db2.gz BSLRRKJYADAUJA-MFKMUULPSA-N -1 3 388.407 0.338 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573462541 945941421 /nfs/dbraw/zinc/94/14/21/945941421.db2.gz KYOLNJWMJNAIHE-ZDUSSCGKSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573462541 945941428 /nfs/dbraw/zinc/94/14/28/945941428.db2.gz KYOLNJWMJNAIHE-ZDUSSCGKSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573462543 945941571 /nfs/dbraw/zinc/94/15/71/945941571.db2.gz KYWRRPYMOWODSA-ZDUSSCGKSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573462543 945941578 /nfs/dbraw/zinc/94/15/78/945941578.db2.gz KYWRRPYMOWODSA-ZDUSSCGKSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573462544 945942807 /nfs/dbraw/zinc/94/28/07/945942807.db2.gz LCKGBOJOVGBGKW-MRVPVSSYSA-N -1 3 380.478 0.711 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573462918 945946229 /nfs/dbraw/zinc/94/62/29/945946229.db2.gz OSZFGOBTWMOZID-UHFFFAOYSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573462918 945946237 /nfs/dbraw/zinc/94/62/37/945946237.db2.gz OSZFGOBTWMOZID-UHFFFAOYSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573462947 945947570 /nfs/dbraw/zinc/94/75/70/945947570.db2.gz PLDQFJKBRJYZAW-MRVPVSSYSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573462947 945947580 /nfs/dbraw/zinc/94/75/80/945947580.db2.gz PLDQFJKBRJYZAW-MRVPVSSYSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001573462964 945947750 /nfs/dbraw/zinc/94/77/50/945947750.db2.gz PWDQKFAMIQKJKG-FZMZJTMJSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001573462964 945947759 /nfs/dbraw/zinc/94/77/59/945947759.db2.gz PWDQKFAMIQKJKG-FZMZJTMJSA-N -1 3 386.460 0.650 20 0 GCADHM C[C@@H]1C[C@H](NCc2ncnn2CCF)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571286411 945947910 /nfs/dbraw/zinc/94/79/10/945947910.db2.gz HBJUGKRPCPRRCT-MNOVXSKESA-N -1 3 388.411 0.149 20 0 GCADHM O=C(CN1CCCC1=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571286407 945948178 /nfs/dbraw/zinc/94/81/78/945948178.db2.gz GYIMREUATGVFIO-LBPRGKRZSA-N -1 3 388.407 0.426 20 0 GCADHM O=C(CN1CCCC1=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571286407 945948182 /nfs/dbraw/zinc/94/81/82/945948182.db2.gz GYIMREUATGVFIO-LBPRGKRZSA-N -1 3 388.407 0.426 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571286470 945948383 /nfs/dbraw/zinc/94/83/83/945948383.db2.gz ITAMJTKJHLVUAP-PWSUYJOCSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571286470 945948391 /nfs/dbraw/zinc/94/83/91/945948391.db2.gz ITAMJTKJHLVUAP-PWSUYJOCSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(CN1CCCC1=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571286525 945949674 /nfs/dbraw/zinc/94/96/74/945949674.db2.gz JXLQUCNYXYGISR-LBPRGKRZSA-N -1 3 388.407 0.108 20 0 GCADHM O=C(CN1CCCC1=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571286525 945949691 /nfs/dbraw/zinc/94/96/91/945949691.db2.gz JXLQUCNYXYGISR-LBPRGKRZSA-N -1 3 388.407 0.108 20 0 GCADHM O=C(CN1CCCC1=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571286524 945950189 /nfs/dbraw/zinc/95/01/89/945950189.db2.gz JXLQUCNYXYGISR-GFCCVEGCSA-N -1 3 388.407 0.108 20 0 GCADHM O=C(CN1CCCC1=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571286524 945950195 /nfs/dbraw/zinc/95/01/95/945950195.db2.gz JXLQUCNYXYGISR-GFCCVEGCSA-N -1 3 388.407 0.108 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001571286557 945950590 /nfs/dbraw/zinc/95/05/90/945950590.db2.gz 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0.234 20 0 GCADHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(S(N)(=O)=O)c1 ZINC001571286783 945958018 /nfs/dbraw/zinc/95/80/18/945958018.db2.gz RHGDFSUVAYZVIM-VIFPVBQESA-N -1 3 388.413 0.792 20 0 GCADHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(S(N)(=O)=O)c1 ZINC001571286783 945958026 /nfs/dbraw/zinc/95/80/26/945958026.db2.gz RHGDFSUVAYZVIM-VIFPVBQESA-N -1 3 388.413 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573463680 945959463 /nfs/dbraw/zinc/95/94/63/945959463.db2.gz ZJHJXDSNTMTVPY-UHFFFAOYSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573463680 945959470 /nfs/dbraw/zinc/95/94/70/945959470.db2.gz ZJHJXDSNTMTVPY-UHFFFAOYSA-N -1 3 386.460 0.792 20 0 GCADHM C[C@@]1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN(Cc2ncnn2CCF)C1 ZINC001571286915 945962626 /nfs/dbraw/zinc/96/26/26/945962626.db2.gz VOXTXIBWZLLFQZ-MRXNPFEDSA-N -1 3 388.411 0.150 20 0 GCADHM C[C@@]1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN(Cc2ncnn2CCF)C1 ZINC001571286915 945962631 /nfs/dbraw/zinc/96/26/31/945962631.db2.gz VOXTXIBWZLLFQZ-MRXNPFEDSA-N -1 3 388.411 0.150 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001573464232 945963679 /nfs/dbraw/zinc/96/36/79/945963679.db2.gz IEVGZNOIPAJCRV-UHFFFAOYSA-N -1 3 382.428 0.798 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001573464232 945963687 /nfs/dbraw/zinc/96/36/87/945963687.db2.gz IEVGZNOIPAJCRV-UHFFFAOYSA-N -1 3 382.428 0.798 20 0 GCADHM CC(C)(C)OC(=O)N1CCc2cc(-c3nnn[n-]3)ccc2[C@@H]1C(=O)NCCO ZINC001571286981 945966080 /nfs/dbraw/zinc/96/60/80/945966080.db2.gz XCWCWONIYGLTLC-CQSZACIVSA-N -1 3 388.428 0.810 20 0 GCADHM CC(C)(C)OC(=O)N1CCc2cc(-c3nn[n-]n3)ccc2[C@@H]1C(=O)NCCO ZINC001571286981 945966090 /nfs/dbraw/zinc/96/60/90/945966090.db2.gz XCWCWONIYGLTLC-CQSZACIVSA-N -1 3 388.428 0.810 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573465345 945973425 /nfs/dbraw/zinc/97/34/25/945973425.db2.gz YDQRDQLAAKPRTB-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573465345 945973429 /nfs/dbraw/zinc/97/34/29/945973429.db2.gz YDQRDQLAAKPRTB-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573467334 945977440 /nfs/dbraw/zinc/97/74/40/945977440.db2.gz BWBLHQCPEMHXRU-JOCQHMNTSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573467334 945977448 /nfs/dbraw/zinc/97/74/48/945977448.db2.gz BWBLHQCPEMHXRU-JOCQHMNTSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573467331 945977645 /nfs/dbraw/zinc/97/76/45/945977645.db2.gz BUSJPLYIAQJOQT-NSHDSACASA-N -1 3 392.439 0.599 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573467331 945977654 /nfs/dbraw/zinc/97/76/54/945977654.db2.gz BUSJPLYIAQJOQT-NSHDSACASA-N -1 3 392.439 0.599 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CC(Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573467783 945984422 /nfs/dbraw/zinc/98/44/22/945984422.db2.gz IAEBZUXHNWBERP-MFAVDMRSSA-N -1 3 378.462 0.558 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573468029 945988133 /nfs/dbraw/zinc/98/81/33/945988133.db2.gz KGANBXGZFRZCPS-FZMZJTMJSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573467997 945989485 /nfs/dbraw/zinc/98/94/85/945989485.db2.gz KEBJFLLOXPCDFI-GFCCVEGCSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573467997 945989491 /nfs/dbraw/zinc/98/94/91/945989491.db2.gz KEBJFLLOXPCDFI-GFCCVEGCSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573468550 945994836 /nfs/dbraw/zinc/99/48/36/945994836.db2.gz PDRSWVSVFRBOMW-XGNXJENSSA-N -1 3 386.460 0.968 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573468550 945994843 /nfs/dbraw/zinc/99/48/43/945994843.db2.gz PDRSWVSVFRBOMW-XGNXJENSSA-N -1 3 386.460 0.968 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573468562 945997913 /nfs/dbraw/zinc/99/79/13/945997913.db2.gz PHVWBDJAXHJCKR-GFCCVEGCSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573468562 945997922 /nfs/dbraw/zinc/99/79/22/945997922.db2.gz PHVWBDJAXHJCKR-GFCCVEGCSA-N -1 3 388.476 0.991 20 0 GCADHM COc1nscc1CN1CC([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571289346 946003830 /nfs/dbraw/zinc/00/38/30/946003830.db2.gz AEAGHZTZIJOGAR-SECBINFHSA-N -1 3 388.457 0.910 20 0 GCADHM COc1nscc1CN1CC([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571289346 946003841 /nfs/dbraw/zinc/00/38/41/946003841.db2.gz AEAGHZTZIJOGAR-SECBINFHSA-N -1 3 388.457 0.910 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@H](Nc3snc(C)c3-c3nnn[n-]3)C2)[nH]1 ZINC001571289457 946006046 /nfs/dbraw/zinc/00/60/46/946006046.db2.gz FAMIFDTVTXKWNL-JTQLQIEISA-N -1 3 388.461 0.704 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1 ZINC001573469893 946011417 /nfs/dbraw/zinc/01/14/17/946011417.db2.gz YLWZYYGNEWJFDU-RDBSUJKOSA-N -1 3 384.444 0.402 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1 ZINC001573469893 946011429 /nfs/dbraw/zinc/01/14/29/946011429.db2.gz YLWZYYGNEWJFDU-RDBSUJKOSA-N -1 3 384.444 0.402 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573469784 946011606 /nfs/dbraw/zinc/01/16/06/946011606.db2.gz XKQCKKVVDRYEOR-XYPYZODXSA-N -1 3 392.851 0.889 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573469784 946011618 /nfs/dbraw/zinc/01/16/18/946011618.db2.gz XKQCKKVVDRYEOR-XYPYZODXSA-N -1 3 392.851 0.889 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573469969 946012810 /nfs/dbraw/zinc/01/28/10/946012810.db2.gz YSKMXMKLZQTQLM-SNVBAGLBSA-N -1 3 378.412 0.210 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573469969 946012822 /nfs/dbraw/zinc/01/28/22/946012822.db2.gz YSKMXMKLZQTQLM-SNVBAGLBSA-N -1 3 378.412 0.210 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)c1cc(C)n[nH]1 ZINC001571289646 946013500 /nfs/dbraw/zinc/01/35/00/946013500.db2.gz JINNTQWDDJUYLB-CHWSQXEVSA-N -1 3 388.457 0.589 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1NC(=O)c1cc(C)n[nH]1 ZINC001571289646 946013514 /nfs/dbraw/zinc/01/35/14/946013514.db2.gz JINNTQWDDJUYLB-CHWSQXEVSA-N -1 3 388.457 0.589 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470055 946016811 /nfs/dbraw/zinc/01/68/11/946016811.db2.gz ZTXITFVXLBRETF-JTQLQIEISA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573470055 946016821 /nfs/dbraw/zinc/01/68/21/946016821.db2.gz ZTXITFVXLBRETF-JTQLQIEISA-N -1 3 375.408 0.173 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289760 946016856 /nfs/dbraw/zinc/01/68/56/946016856.db2.gz LXVONXQJTQFVCI-QMMMGPOBSA-N -1 3 388.457 0.916 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573470041 946017737 /nfs/dbraw/zinc/01/77/37/946017737.db2.gz AWAFQAHHRXQHOY-BNOWGMLFSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573470041 946017742 /nfs/dbraw/zinc/01/77/42/946017742.db2.gz AWAFQAHHRXQHOY-BNOWGMLFSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573470058 946017792 /nfs/dbraw/zinc/01/77/92/946017792.db2.gz ZTXITFVXLBRETF-SNVBAGLBSA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573470058 946017803 /nfs/dbraw/zinc/01/78/03/946017803.db2.gz ZTXITFVXLBRETF-SNVBAGLBSA-N -1 3 375.408 0.173 20 0 GCADHM Cc1nsc(N[C@H]2CCCN(C(=O)c3nnn(C)c3C)C2)c1-c1nnn[n-]1 ZINC001571289819 946021179 /nfs/dbraw/zinc/02/11/79/946021179.db2.gz NECKVOYPWOYWQX-JTQLQIEISA-N -1 3 388.461 0.785 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573470343 946021414 /nfs/dbraw/zinc/02/14/14/946021414.db2.gz DARWHURRNUDAAP-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573470343 946021422 /nfs/dbraw/zinc/02/14/22/946021422.db2.gz DARWHURRNUDAAP-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573470368 946022828 /nfs/dbraw/zinc/02/28/28/946022828.db2.gz DFICPLAASSAZKC-JQWIXIFHSA-N -1 3 392.489 0.583 20 0 GCADHM Cc1nsc(N(C)C[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)c1-c1nnn[n-]1 ZINC001571290024 946027042 /nfs/dbraw/zinc/02/70/42/946027042.db2.gz SVRIEDQUGDEELC-SNVBAGLBSA-N -1 3 388.461 0.738 20 0 GCADHM O=C(NC[C@H]1CN(Cc2cncs2)CCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571290056 946027970 /nfs/dbraw/zinc/02/79/70/946027970.db2.gz UDVSGOYXQVFXEM-NSHDSACASA-N -1 3 388.457 0.672 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573470526 946028061 /nfs/dbraw/zinc/02/80/61/946028061.db2.gz GLSZYRSBBHNHMY-GXTWGEPZSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573470526 946028073 /nfs/dbraw/zinc/02/80/73/946028073.db2.gz GLSZYRSBBHNHMY-GXTWGEPZSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573470609 946029835 /nfs/dbraw/zinc/02/98/35/946029835.db2.gz HQCFNRHNHQDMAF-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470609 946029847 /nfs/dbraw/zinc/02/98/47/946029847.db2.gz HQCFNRHNHQDMAF-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573470607 946030800 /nfs/dbraw/zinc/03/08/00/946030800.db2.gz HQCFNRHNHQDMAF-JSGCOSHPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470607 946030812 /nfs/dbraw/zinc/03/08/12/946030812.db2.gz HQCFNRHNHQDMAF-JSGCOSHPSA-N -1 3 386.460 0.522 20 0 GCADHM CN(C)c1nc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)ns1 ZINC001571290212 946031910 /nfs/dbraw/zinc/03/19/10/946031910.db2.gz XPWUQXWTWHAUIY-SNVBAGLBSA-N -1 3 388.461 0.117 20 0 GCADHM CN(C)c1nc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)ns1 ZINC001571290212 946031919 /nfs/dbraw/zinc/03/19/19/946031919.db2.gz XPWUQXWTWHAUIY-SNVBAGLBSA-N -1 3 388.461 0.117 20 0 GCADHM CO[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1NC(=O)c1cc[nH]c1C ZINC001571290236 946035536 /nfs/dbraw/zinc/03/55/36/946035536.db2.gz YGOZFNNTTCXWFR-VXGBXAGGSA-N -1 3 388.457 0.902 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573471085 946042684 /nfs/dbraw/zinc/04/26/84/946042684.db2.gz MAZXPBSAZXRTKF-ABAIWWIYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573471085 946042694 /nfs/dbraw/zinc/04/26/94/946042694.db2.gz MAZXPBSAZXRTKF-ABAIWWIYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573471089 946042989 /nfs/dbraw/zinc/04/29/89/946042989.db2.gz MAZXPBSAZXRTKF-NHYWBVRUSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573471089 946043002 /nfs/dbraw/zinc/04/30/02/946043002.db2.gz MAZXPBSAZXRTKF-NHYWBVRUSA-N -1 3 389.435 0.563 20 0 GCADHM COc1ncc(NC(=O)CCNC(=O)OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC001571290477 946043558 /nfs/dbraw/zinc/04/35/58/946043558.db2.gz GFSUNKCIGODSEQ-UHFFFAOYSA-N -1 3 389.294 0.887 20 0 GCADHM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571290521 946043844 /nfs/dbraw/zinc/04/38/44/946043844.db2.gz HXPXJZIIDDBOJL-MRVPVSSYSA-N -1 3 388.837 0.031 20 0 GCADHM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571290521 946043855 /nfs/dbraw/zinc/04/38/55/946043855.db2.gz HXPXJZIIDDBOJL-MRVPVSSYSA-N -1 3 388.837 0.031 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471267 946046268 /nfs/dbraw/zinc/04/62/68/946046268.db2.gz NQDIGRVNFBOHEY-JQWIXIFHSA-N -1 3 375.408 0.568 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471267 946046282 /nfs/dbraw/zinc/04/62/82/946046282.db2.gz NQDIGRVNFBOHEY-JQWIXIFHSA-N -1 3 375.408 0.568 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)c1ccc(Cl)[nH]1 ZINC001571290597 946048663 /nfs/dbraw/zinc/04/86/63/946048663.db2.gz JTLGZLAFINRRRT-SNVBAGLBSA-N -1 3 388.819 0.878 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)c1ccc(Cl)[nH]1 ZINC001571290597 946048675 /nfs/dbraw/zinc/04/86/75/946048675.db2.gz JTLGZLAFINRRRT-SNVBAGLBSA-N -1 3 388.819 0.878 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573471441 946050749 /nfs/dbraw/zinc/05/07/49/946050749.db2.gz PAOMZPJLJUTXJP-GXTWGEPZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573471441 946050762 /nfs/dbraw/zinc/05/07/62/946050762.db2.gz PAOMZPJLJUTXJP-GXTWGEPZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471572 946053847 /nfs/dbraw/zinc/05/38/47/946053847.db2.gz PNMHKYHVWTVTNH-JQWIXIFHSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471572 946053861 /nfs/dbraw/zinc/05/38/61/946053861.db2.gz PNMHKYHVWTVTNH-JQWIXIFHSA-N -1 3 375.408 0.791 20 0 GCADHM Cn1cc(C(=O)NC2CC(CNc3ncc(-c4nnn[n-]4)cc3Cl)C2)nn1 ZINC001571290827 946056707 /nfs/dbraw/zinc/05/67/07/946056707.db2.gz QEOGOKHGHZXNGK-UHFFFAOYSA-N -1 3 388.823 0.664 20 0 GCADHM Cn1cc(C(=O)NC2CC(CNc3ncc(-c4nn[n-]n4)cc3Cl)C2)nn1 ZINC001571290827 946056713 /nfs/dbraw/zinc/05/67/13/946056713.db2.gz QEOGOKHGHZXNGK-UHFFFAOYSA-N -1 3 388.823 0.664 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573472167 946062693 /nfs/dbraw/zinc/06/26/93/946062693.db2.gz UEXZXGULNWUXKU-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573472167 946062705 /nfs/dbraw/zinc/06/27/05/946062705.db2.gz UEXZXGULNWUXKU-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C(C)(C)C1 ZINC001573472353 946063665 /nfs/dbraw/zinc/06/36/65/946063665.db2.gz VQILSQHCEXLOHD-SMDDNHRTSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C(C)(C)C1 ZINC001573472353 946063679 /nfs/dbraw/zinc/06/36/79/946063679.db2.gz VQILSQHCEXLOHD-SMDDNHRTSA-N -1 3 386.460 0.744 20 0 GCADHM CCn1ncc(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)n1 ZINC001571291044 946065641 /nfs/dbraw/zinc/06/56/41/946065641.db2.gz ZEWPIHAUTZJOGN-AOOOYVTPSA-N -1 3 388.823 0.899 20 0 GCADHM CCn1ncc(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)n1 ZINC001571291044 946065651 /nfs/dbraw/zinc/06/56/51/946065651.db2.gz ZEWPIHAUTZJOGN-AOOOYVTPSA-N -1 3 388.823 0.899 20 0 GCADHM O=C(Nc1n[nH]nc1C(=O)N1CCCC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571291050 946066110 /nfs/dbraw/zinc/06/61/10/946066110.db2.gz ZJNXYTZURYWOHL-UHFFFAOYSA-N -1 3 388.779 0.522 20 0 GCADHM O=C(Nc1n[nH]nc1C(=O)N1CCCC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571291050 946066120 /nfs/dbraw/zinc/06/61/20/946066120.db2.gz ZJNXYTZURYWOHL-UHFFFAOYSA-N -1 3 388.779 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001573472658 946068688 /nfs/dbraw/zinc/06/86/88/946068688.db2.gz WYYDPJRFTWTCEN-BNOWGMLFSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001573472658 946068698 /nfs/dbraw/zinc/06/86/98/946068698.db2.gz WYYDPJRFTWTCEN-BNOWGMLFSA-N -1 3 384.444 0.356 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)s1 ZINC001571291115 946068767 /nfs/dbraw/zinc/06/87/67/946068767.db2.gz BXEQLLBXZWPENC-NEPJUHHUSA-N -1 3 389.416 0.750 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)s1 ZINC001571291115 946068778 /nfs/dbraw/zinc/06/87/78/946068778.db2.gz BXEQLLBXZWPENC-NEPJUHHUSA-N -1 3 389.416 0.750 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571291094 946069542 /nfs/dbraw/zinc/06/95/42/946069542.db2.gz AXTVDVSQIZRXRD-PWSUYJOCSA-N -1 3 389.391 0.757 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571291094 946069549 /nfs/dbraw/zinc/06/95/49/946069549.db2.gz AXTVDVSQIZRXRD-PWSUYJOCSA-N -1 3 389.391 0.757 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573472968 946074242 /nfs/dbraw/zinc/07/42/42/946074242.db2.gz YNFKDNJNLDACGF-GXTWGEPZSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573472968 946074253 /nfs/dbraw/zinc/07/42/53/946074253.db2.gz YNFKDNJNLDACGF-GXTWGEPZSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573472963 946074448 /nfs/dbraw/zinc/07/44/48/946074448.db2.gz YKYPLCMZWTUWJY-KZULUSFZSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573472963 946074462 /nfs/dbraw/zinc/07/44/62/946074462.db2.gz YKYPLCMZWTUWJY-KZULUSFZSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573472993 946074597 /nfs/dbraw/zinc/07/45/97/946074597.db2.gz YTRVQWRZBDKQFD-KZULUSFZSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573472993 946074611 /nfs/dbraw/zinc/07/46/11/946074611.db2.gz YTRVQWRZBDKQFD-KZULUSFZSA-N -1 3 384.444 0.215 20 0 GCADHM CCN(C(=O)c1cnsn1)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571291259 946075229 /nfs/dbraw/zinc/07/52/29/946075229.db2.gz HUBKODKOJUZNFD-JTQLQIEISA-N -1 3 389.420 0.993 20 0 GCADHM CCN(C(=O)c1cnsn1)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571291259 946075243 /nfs/dbraw/zinc/07/52/43/946075243.db2.gz HUBKODKOJUZNFD-JTQLQIEISA-N -1 3 389.420 0.993 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573473462 946078956 /nfs/dbraw/zinc/07/89/56/946078956.db2.gz CMARBBJYANLRAP-ONERCXAPSA-N -1 3 387.419 0.316 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573473462 946078967 /nfs/dbraw/zinc/07/89/67/946078967.db2.gz CMARBBJYANLRAP-ONERCXAPSA-N -1 3 387.419 0.316 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001571291790 946081756 /nfs/dbraw/zinc/08/17/56/946081756.db2.gz PBTFZGJPDZIMQP-AWEZNQCLSA-N -1 3 389.391 0.149 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001571291790 946081767 /nfs/dbraw/zinc/08/17/67/946081767.db2.gz PBTFZGJPDZIMQP-AWEZNQCLSA-N -1 3 389.391 0.149 20 0 GCADHM O=C(NC1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1)[C@@H]1COC(=O)N1 ZINC001571291819 946082635 /nfs/dbraw/zinc/08/26/35/946082635.db2.gz QGWNYUSPSZMNJK-ZPPKWKGLSA-N -1 3 389.391 0.954 20 0 GCADHM O=C(NC1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1)[C@@H]1COC(=O)N1 ZINC001571291819 946082649 /nfs/dbraw/zinc/08/26/49/946082649.db2.gz QGWNYUSPSZMNJK-ZPPKWKGLSA-N -1 3 389.391 0.954 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573473789 946083259 /nfs/dbraw/zinc/08/32/59/946083259.db2.gz FOQZRUPFVVVQLK-ONERCXAPSA-N -1 3 387.419 0.316 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573473789 946083271 /nfs/dbraw/zinc/08/32/71/946083271.db2.gz FOQZRUPFVVVQLK-ONERCXAPSA-N -1 3 387.419 0.316 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001571291801 946083118 /nfs/dbraw/zinc/08/31/18/946083118.db2.gz POSLBMFUEPDGEI-UHFFFAOYSA-N -1 3 389.397 0.389 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001571291801 946083136 /nfs/dbraw/zinc/08/31/36/946083136.db2.gz POSLBMFUEPDGEI-UHFFFAOYSA-N -1 3 389.397 0.389 20 0 GCADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCC1(F)F)c1ccn[nH]1 ZINC001571291830 946084123 /nfs/dbraw/zinc/08/41/23/946084123.db2.gz QTMKFTQCBBTGNQ-SNVBAGLBSA-N -1 3 389.370 0.876 20 0 GCADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCC1(F)F)c1ccn[nH]1 ZINC001571291830 946084131 /nfs/dbraw/zinc/08/41/31/946084131.db2.gz QTMKFTQCBBTGNQ-SNVBAGLBSA-N -1 3 389.370 0.876 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2C1 ZINC001573473786 946084198 /nfs/dbraw/zinc/08/41/98/946084198.db2.gz FNKPNLXHSZYTQC-RTXFEEFZSA-N -1 3 387.419 0.425 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2C1 ZINC001573473786 946084211 /nfs/dbraw/zinc/08/42/11/946084211.db2.gz FNKPNLXHSZYTQC-RTXFEEFZSA-N -1 3 387.419 0.425 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@]2(C)C[C@@H](O)CN2C)cc1-c1nnn[n-]1 ZINC001571291972 946084588 /nfs/dbraw/zinc/08/45/88/946084588.db2.gz ROYHWAXJVFESCU-DIFFPNOSSA-N -1 3 389.416 0.829 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@]2(C)C[C@@H](O)CN2C)cc1-c1nn[n-]n1 ZINC001571291972 946084599 /nfs/dbraw/zinc/08/45/99/946084599.db2.gz ROYHWAXJVFESCU-DIFFPNOSSA-N -1 3 389.416 0.829 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]21 ZINC001573473948 946086574 /nfs/dbraw/zinc/08/65/74/946086574.db2.gz HEIFIVRQSLLDQZ-CORIIIEPSA-N -1 3 384.444 0.132 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]21 ZINC001573473948 946086588 /nfs/dbraw/zinc/08/65/88/946086588.db2.gz HEIFIVRQSLLDQZ-CORIIIEPSA-N -1 3 384.444 0.132 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@]1(F)CCOC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571292012 946086830 /nfs/dbraw/zinc/08/68/30/946086830.db2.gz SQTKRQFKOUJBKT-JJTUWOBKSA-N -1 3 389.391 0.185 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@]1(F)CCOC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571292012 946086842 /nfs/dbraw/zinc/08/68/42/946086842.db2.gz SQTKRQFKOUJBKT-JJTUWOBKSA-N -1 3 389.391 0.185 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)C1=CCOCC1 ZINC001571292000 946087054 /nfs/dbraw/zinc/08/70/54/946087054.db2.gz SMTCQMVPGWHTQS-CYBMUJFWSA-N -1 3 389.391 0.069 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)C1=CCOCC1 ZINC001571292000 946087068 /nfs/dbraw/zinc/08/70/68/946087068.db2.gz SMTCQMVPGWHTQS-CYBMUJFWSA-N -1 3 389.391 0.069 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573475406 946100256 /nfs/dbraw/zinc/10/02/56/946100256.db2.gz TTWBUNUGVNBVLW-NSHDSACASA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573475406 946100262 /nfs/dbraw/zinc/10/02/62/946100262.db2.gz TTWBUNUGVNBVLW-NSHDSACASA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573475218 946100957 /nfs/dbraw/zinc/10/09/57/946100957.db2.gz RBHKIYCWDIBZDX-QWRGUYRKSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573475218 946100964 /nfs/dbraw/zinc/10/09/64/946100964.db2.gz RBHKIYCWDIBZDX-QWRGUYRKSA-N -1 3 390.448 0.124 20 0 GCADHM CCN1CCOC[C@H]1C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571293270 946101624 /nfs/dbraw/zinc/10/16/24/946101624.db2.gz CWEAWAGASPXYNR-INIZCTEOSA-N -1 3 389.435 0.027 20 0 GCADHM CCN1CCOC[C@H]1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571293270 946101630 /nfs/dbraw/zinc/10/16/30/946101630.db2.gz CWEAWAGASPXYNR-INIZCTEOSA-N -1 3 389.435 0.027 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573475758 946104218 /nfs/dbraw/zinc/10/42/18/946104218.db2.gz ALHZAPTUZJPACY-SMDDNHRTSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573475758 946104222 /nfs/dbraw/zinc/10/42/22/946104222.db2.gz ALHZAPTUZJPACY-SMDDNHRTSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573475810 946106363 /nfs/dbraw/zinc/10/63/63/946106363.db2.gz BCPDYEIUUMHYSG-IINYFYTJSA-N -1 3 389.435 0.861 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001573475810 946106368 /nfs/dbraw/zinc/10/63/68/946106368.db2.gz BCPDYEIUUMHYSG-IINYFYTJSA-N -1 3 389.435 0.861 20 0 GCADHM Cc1nsc(NC[C@H]2CN(C(=O)c3cn[nH]c3)CCCO2)c1-c1nnn[n-]1 ZINC001571293535 946107316 /nfs/dbraw/zinc/10/73/16/946107316.db2.gz KNKRWTIUVISSNV-NSHDSACASA-N -1 3 389.445 0.698 20 0 GCADHM Cc1c[nH]c(C2(NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCOCC2)n1 ZINC001571293533 946107598 /nfs/dbraw/zinc/10/75/98/946107598.db2.gz KMIHNEWBKRHDHH-UHFFFAOYSA-N -1 3 389.441 0.882 20 0 GCADHM Cc1c[nH]c(C2(NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCOCC2)n1 ZINC001571293533 946107604 /nfs/dbraw/zinc/10/76/04/946107604.db2.gz KMIHNEWBKRHDHH-UHFFFAOYSA-N -1 3 389.441 0.882 20 0 GCADHM Cc1nc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)c(C)c3)CC2)n[nH]1 ZINC001571293572 946107864 /nfs/dbraw/zinc/10/78/64/946107864.db2.gz LPANNIASDAOANC-UHFFFAOYSA-N -1 3 389.445 0.113 20 0 GCADHM Cc1nc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(C)c3)CC2)n[nH]1 ZINC001571293572 946107871 /nfs/dbraw/zinc/10/78/71/946107871.db2.gz LPANNIASDAOANC-UHFFFAOYSA-N -1 3 389.445 0.113 20 0 GCADHM Cc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822510462 946108958 /nfs/dbraw/zinc/10/89/58/946108958.db2.gz NYURTEULKWSJCR-ZETCQYMHSA-N -1 3 394.442 0.332 20 0 GCADHM Cc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822510462 946108969 /nfs/dbraw/zinc/10/89/69/946108969.db2.gz NYURTEULKWSJCR-ZETCQYMHSA-N -1 3 394.442 0.332 20 0 GCADHM Cc1nsc(N2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000822531178 946115484 /nfs/dbraw/zinc/11/54/84/946115484.db2.gz WEOUHACMZVPNJU-UHFFFAOYSA-N -1 3 385.457 0.787 20 0 GCADHM Cc1nsc(N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822531178 946115492 /nfs/dbraw/zinc/11/54/92/946115492.db2.gz WEOUHACMZVPNJU-UHFFFAOYSA-N -1 3 385.457 0.787 20 0 GCADHM CCOc1nnc(CN2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)s1 ZINC001571293806 946115594 /nfs/dbraw/zinc/11/55/94/946115594.db2.gz SGPUGWUYUPUOHK-UHFFFAOYSA-N -1 3 389.445 0.307 20 0 GCADHM CCOc1nnc(CN2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)s1 ZINC001571293806 946115600 /nfs/dbraw/zinc/11/56/00/946115600.db2.gz SGPUGWUYUPUOHK-UHFFFAOYSA-N -1 3 389.445 0.307 20 0 GCADHM COc1cc(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nnn[n-]3)C2)nn1C ZINC001571293788 946115724 /nfs/dbraw/zinc/11/57/24/946115724.db2.gz RQQPTKCINYGLFD-SECBINFHSA-N -1 3 389.445 0.700 20 0 GCADHM Cc1nsc(N2CCCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000822531357 946115963 /nfs/dbraw/zinc/11/59/63/946115963.db2.gz YVBHPCGDVQECNA-AWEZNQCLSA-N -1 3 399.484 0.765 20 0 GCADHM Cc1nsc(N2CCCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822531357 946115969 /nfs/dbraw/zinc/11/59/69/946115969.db2.gz YVBHPCGDVQECNA-AWEZNQCLSA-N -1 3 399.484 0.765 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001573476203 946116560 /nfs/dbraw/zinc/11/65/60/946116560.db2.gz DQNYQILMPDUFTC-NOZJJQNGSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001573476203 946116583 /nfs/dbraw/zinc/11/65/83/946116583.db2.gz DQNYQILMPDUFTC-NOZJJQNGSA-N -1 3 392.439 0.868 20 0 GCADHM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3nnn(C)n3)CC2)c1-c1nnn[n-]1 ZINC001571293871 946118763 /nfs/dbraw/zinc/11/87/63/946118763.db2.gz UMPAOSNIRDUYPB-KYZUINATSA-N -1 3 389.449 0.308 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573476559 946122111 /nfs/dbraw/zinc/12/21/11/946122111.db2.gz HYDKECQWZDMXJN-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573476559 946122126 /nfs/dbraw/zinc/12/21/26/946122126.db2.gz HYDKECQWZDMXJN-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573476884 946126504 /nfs/dbraw/zinc/12/65/04/946126504.db2.gz KOHGOYNVKXUMLM-OTYXRUKQSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573476884 946126507 /nfs/dbraw/zinc/12/65/07/946126507.db2.gz KOHGOYNVKXUMLM-OTYXRUKQSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573477066 946128349 /nfs/dbraw/zinc/12/83/49/946128349.db2.gz LYNQDGUXXHZYOE-CABZTGNLSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573477066 946128355 /nfs/dbraw/zinc/12/83/55/946128355.db2.gz LYNQDGUXXHZYOE-CABZTGNLSA-N -1 3 376.396 0.010 20 0 GCADHM Cc1sc(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000822558907 946129226 /nfs/dbraw/zinc/12/92/26/946129226.db2.gz SWXIZWLEODKHNH-JTQLQIEISA-N -1 3 399.502 0.107 20 0 GCADHM Cc1sc(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000822558907 946129232 /nfs/dbraw/zinc/12/92/32/946129232.db2.gz SWXIZWLEODKHNH-JTQLQIEISA-N -1 3 399.502 0.107 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571294250 946129536 /nfs/dbraw/zinc/12/95/36/946129536.db2.gz CIXQCPDTOAVFEP-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571294250 946129544 /nfs/dbraw/zinc/12/95/44/946129544.db2.gz CIXQCPDTOAVFEP-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM O=C(NC1CCN(c2cc(Cl)c(=O)[nH]n2)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571294260 946129801 /nfs/dbraw/zinc/12/98/01/946129801.db2.gz COQGYVGWWOAPOO-UHFFFAOYSA-N -1 3 389.807 0.743 20 0 GCADHM O=C(NC1CCN(c2cc(Cl)c(=O)[nH]n2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571294260 946129810 /nfs/dbraw/zinc/12/98/10/946129810.db2.gz COQGYVGWWOAPOO-UHFFFAOYSA-N -1 3 389.807 0.743 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573477253 946130774 /nfs/dbraw/zinc/13/07/74/946130774.db2.gz NLAQKLMZTAYILC-BJOHPYRUSA-N -1 3 378.462 0.241 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294348 946132238 /nfs/dbraw/zinc/13/22/38/946132238.db2.gz GMFBTMJFHLKAOS-NWDGAFQWSA-N -1 3 389.485 0.535 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)CC(C)C ZINC001573477297 946132353 /nfs/dbraw/zinc/13/23/53/946132353.db2.gz OCMDWYNKKXVWQY-GWCFXTLKSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)CC(C)C ZINC001573477297 946132359 /nfs/dbraw/zinc/13/23/59/946132359.db2.gz OCMDWYNKKXVWQY-GWCFXTLKSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CC1(C)C ZINC001573477456 946136570 /nfs/dbraw/zinc/13/65/70/946136570.db2.gz QYCCWWGOVYAGBK-IINYFYTJSA-N -1 3 391.501 0.779 20 0 GCADHM CN(C(=O)c1cc(C(F)F)n[nH]1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571294582 946138171 /nfs/dbraw/zinc/13/81/71/946138171.db2.gz JRDTZFIWIXVGGS-MRVPVSSYSA-N -1 3 390.358 0.668 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573477567 946138531 /nfs/dbraw/zinc/13/85/31/946138531.db2.gz RUOLEUVMNCLLNF-BMLIUANNSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573477567 946138539 /nfs/dbraw/zinc/13/85/39/946138539.db2.gz RUOLEUVMNCLLNF-BMLIUANNSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573477766 946140672 /nfs/dbraw/zinc/14/06/72/946140672.db2.gz UAFCHSGEHAUHDW-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573477766 946140682 /nfs/dbraw/zinc/14/06/82/946140682.db2.gz UAFCHSGEHAUHDW-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573477811 946142950 /nfs/dbraw/zinc/14/29/50/946142950.db2.gz UHPBHMIJACNWDE-VIFPVBQESA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CC(CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573478488 946147634 /nfs/dbraw/zinc/14/76/34/946147634.db2.gz XABDIXOAURUOPQ-PUSIOWJLSA-N -1 3 378.462 0.463 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@@H]1N(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573478777 946149947 /nfs/dbraw/zinc/14/99/47/946149947.db2.gz YPZIMTWLFRUUMG-VZSAFFHGSA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@@H]1N(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573478777 946149950 /nfs/dbraw/zinc/14/99/50/946149950.db2.gz YPZIMTWLFRUUMG-VZSAFFHGSA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001573478577 946150741 /nfs/dbraw/zinc/15/07/41/946150741.db2.gz XIMXMCMZPIBPJA-BXUZGUMPSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001573478577 946150748 /nfs/dbraw/zinc/15/07/48/946150748.db2.gz XIMXMCMZPIBPJA-BXUZGUMPSA-N -1 3 386.460 0.507 20 0 GCADHM Cn1cc(Cl)c(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571295120 946155404 /nfs/dbraw/zinc/15/54/04/946155404.db2.gz UFJLWYNLOOYMHT-QMMMGPOBSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1cc(Cl)c(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571295120 946155409 /nfs/dbraw/zinc/15/54/09/946155409.db2.gz UFJLWYNLOOYMHT-QMMMGPOBSA-N -1 3 389.807 0.226 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCC(=O)NC1 ZINC001571295250 946156548 /nfs/dbraw/zinc/15/65/48/946156548.db2.gz QZJRCYMARCDKHI-NWDGAFQWSA-N -1 3 389.485 0.535 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573479524 946163547 /nfs/dbraw/zinc/16/35/47/946163547.db2.gz DYGCMEOYYJVMTC-GXSJLCMTSA-N -1 3 392.851 0.382 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573479524 946163557 /nfs/dbraw/zinc/16/35/57/946163557.db2.gz DYGCMEOYYJVMTC-GXSJLCMTSA-N -1 3 392.851 0.382 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCCN1c1ncccc1-c1nnn[n-]1 ZINC001573479598 946163937 /nfs/dbraw/zinc/16/39/37/946163937.db2.gz FRQCHDDBANDUHD-OCCSQVGLSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573479598 946163944 /nfs/dbraw/zinc/16/39/44/946163944.db2.gz FRQCHDDBANDUHD-OCCSQVGLSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CCC1 ZINC001573479640 946166312 /nfs/dbraw/zinc/16/63/12/946166312.db2.gz GOTIRVSXDAUKTA-SECBINFHSA-N -1 3 378.462 0.607 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573479810 946167656 /nfs/dbraw/zinc/16/76/56/946167656.db2.gz HRBMRRDZNKAHFL-HZMBPMFUSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573479810 946167663 /nfs/dbraw/zinc/16/76/63/946167663.db2.gz HRBMRRDZNKAHFL-HZMBPMFUSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573479990 946170775 /nfs/dbraw/zinc/17/07/75/946170775.db2.gz JCJLFFHBQKALHY-GXTWGEPZSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573479990 946170779 /nfs/dbraw/zinc/17/07/79/946170779.db2.gz JCJLFFHBQKALHY-GXTWGEPZSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573480286 946173538 /nfs/dbraw/zinc/17/35/38/946173538.db2.gz KIJSKUIGQSLGFK-GWCFXTLKSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573480286 946173544 /nfs/dbraw/zinc/17/35/44/946173544.db2.gz KIJSKUIGQSLGFK-GWCFXTLKSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573480570 946175544 /nfs/dbraw/zinc/17/55/44/946175544.db2.gz KXZBDIZYDFRUSO-JNHNWMDNSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573480570 946175548 /nfs/dbraw/zinc/17/55/48/946175548.db2.gz KXZBDIZYDFRUSO-JNHNWMDNSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573481040 946179594 /nfs/dbraw/zinc/17/95/94/946179594.db2.gz NQBBPEKGVJMVIW-MFKMUULPSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573481040 946179604 /nfs/dbraw/zinc/17/96/04/946179604.db2.gz NQBBPEKGVJMVIW-MFKMUULPSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573481410 946181843 /nfs/dbraw/zinc/18/18/43/946181843.db2.gz PLUJIPIRJOAKKA-SNVBAGLBSA-N -1 3 392.489 0.489 20 0 GCADHM O=C(C[C@H]1CCOC1)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1O ZINC001571296104 946183982 /nfs/dbraw/zinc/18/39/82/946183982.db2.gz NWYGDXUMHXJBCT-LYRGGWFBSA-N -1 3 390.419 0.094 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O)[C@@H]1CCCOC1 ZINC001571296065 946185224 /nfs/dbraw/zinc/18/52/24/946185224.db2.gz MQTYUDPJWSSXHQ-LYRGGWFBSA-N -1 3 390.419 0.094 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573482020 946188684 /nfs/dbraw/zinc/18/86/84/946188684.db2.gz SYFHYYCQPOFBPF-SNVBAGLBSA-N -1 3 392.489 0.997 20 0 GCADHM CCN1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571296274 946190179 /nfs/dbraw/zinc/19/01/79/946190179.db2.gz SOXGIZMTEZQYLX-TZMCWYRMSA-N -1 3 390.423 0.134 20 0 GCADHM CCN1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571296274 946190187 /nfs/dbraw/zinc/19/01/87/946190187.db2.gz SOXGIZMTEZQYLX-TZMCWYRMSA-N -1 3 390.423 0.134 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001571296331 946192572 /nfs/dbraw/zinc/19/25/72/946192572.db2.gz VELQYCNHUVBFGJ-RISCZKNCSA-N -1 3 390.444 0.800 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001571296331 946192577 /nfs/dbraw/zinc/19/25/77/946192577.db2.gz VELQYCNHUVBFGJ-RISCZKNCSA-N -1 3 390.444 0.800 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571296397 946193783 /nfs/dbraw/zinc/19/37/83/946193783.db2.gz WZEKPEWGXDGJGH-MBNYWOFBSA-N -1 3 390.423 0.181 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571296397 946193792 /nfs/dbraw/zinc/19/37/92/946193792.db2.gz WZEKPEWGXDGJGH-MBNYWOFBSA-N -1 3 390.423 0.181 20 0 GCADHM Cc1nc(C(=O)NC[C@H]2COCCN2c2snc(C)c2-c2nnn[n-]2)co1 ZINC001571296433 946194331 /nfs/dbraw/zinc/19/43/31/946194331.db2.gz XOHHIXFMMTWPOI-JTQLQIEISA-N -1 3 390.429 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573482585 946198014 /nfs/dbraw/zinc/19/80/14/946198014.db2.gz YJBRULVTSWTFDP-ONGXEEELSA-N -1 3 380.478 0.709 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573482677 946200702 /nfs/dbraw/zinc/20/07/02/946200702.db2.gz ZTQLLJYXMCCZQZ-DTWKUNHWSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573482677 946200711 /nfs/dbraw/zinc/20/07/11/946200711.db2.gz ZTQLLJYXMCCZQZ-DTWKUNHWSA-N -1 3 380.840 0.746 20 0 GCADHM Cc1nsc(NC2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)c1-c1nnn[n-]1 ZINC001571297984 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/nfs/dbraw/zinc/20/65/31/946206531.db2.gz DAYXIQVVBVZDOE-GBIKHYSHSA-N -1 3 375.408 0.471 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822874380 946207369 /nfs/dbraw/zinc/20/73/69/946207369.db2.gz YXGBQCIZXCRJBR-ZDUSSCGKSA-N -1 3 375.458 0.759 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822874380 946207374 /nfs/dbraw/zinc/20/73/74/946207374.db2.gz YXGBQCIZXCRJBR-ZDUSSCGKSA-N -1 3 375.458 0.759 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573483604 946207857 /nfs/dbraw/zinc/20/78/57/946207857.db2.gz FWNJKZSQGHNMPI-OCCSQVGLSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573483604 946207870 /nfs/dbraw/zinc/20/78/70/946207870.db2.gz FWNJKZSQGHNMPI-OCCSQVGLSA-N -1 3 386.460 0.427 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)CN3CCCC3=O)[C@H]2C)c1-c1nnn[n-]1 ZINC001571298212 946208312 /nfs/dbraw/zinc/20/83/12/946208312.db2.gz JTAWOEMJYBQLPW-WDEREUQCSA-N -1 3 390.473 0.655 20 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ZINC001573485008 946221376 /nfs/dbraw/zinc/22/13/76/946221376.db2.gz OZUZQQZPGNGNNW-NWDGAFQWSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573485008 946221386 /nfs/dbraw/zinc/22/13/86/946221386.db2.gz OZUZQQZPGNGNNW-NWDGAFQWSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573485007 946221767 /nfs/dbraw/zinc/22/17/67/946221767.db2.gz OZUZQQZPGNGNNW-NEPJUHHUSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573485007 946221777 /nfs/dbraw/zinc/22/17/77/946221777.db2.gz OZUZQQZPGNGNNW-NEPJUHHUSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573485347 946222901 /nfs/dbraw/zinc/22/29/01/946222901.db2.gz QWZGEPVOBPYTGA-GXTWGEPZSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573485347 946222913 /nfs/dbraw/zinc/22/29/13/946222913.db2.gz QWZGEPVOBPYTGA-GXTWGEPZSA-N -1 3 386.460 0.427 20 0 GCADHM Cc1nsc(N[C@@H]2CCCN(C(=O)[C@]3(C)CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571298733 946226773 /nfs/dbraw/zinc/22/67/73/946226773.db2.gz QEGBNDKTXRWGQI-HWPZZCPQSA-N -1 3 390.473 0.703 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573485565 946230519 /nfs/dbraw/zinc/23/05/19/946230519.db2.gz WEPDSFUEHVKTCM-CMPLNLGQSA-N -1 3 377.474 0.533 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573485757 946233191 /nfs/dbraw/zinc/23/31/91/946233191.db2.gz YIMRURKTPGXQOE-ZYHUDNBSSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573485757 946233205 /nfs/dbraw/zinc/23/32/05/946233205.db2.gz YIMRURKTPGXQOE-ZYHUDNBSSA-N -1 3 390.423 0.258 20 0 GCADHM Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)C2)c1-c1nnn[n-]1 ZINC001571299293 946246332 /nfs/dbraw/zinc/24/63/32/946246332.db2.gz VUOOKKDLTDFKMQ-GARJFASQSA-N -1 3 390.473 0.465 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573486934 946246651 /nfs/dbraw/zinc/24/66/51/946246651.db2.gz JGIFBWBBHWWCLH-FDEJFUCISA-N -1 3 384.444 0.321 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573486934 946246659 /nfs/dbraw/zinc/24/66/59/946246659.db2.gz JGIFBWBBHWWCLH-FDEJFUCISA-N -1 3 384.444 0.321 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)C1=COCCC1 ZINC001571299487 946251997 /nfs/dbraw/zinc/25/19/97/946251997.db2.gz WMGFTOJFWILDIV-KBPBESRZSA-N -1 3 390.469 0.674 20 0 GCADHM O=C(CN1CCCC1=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000822996507 946253317 /nfs/dbraw/zinc/25/33/17/946253317.db2.gz FVQVQJCISAOZMY-UHFFFAOYSA-N -1 3 385.428 0.389 20 0 GCADHM O=C(CN1CCCC1=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000822996507 946253324 /nfs/dbraw/zinc/25/33/24/946253324.db2.gz FVQVQJCISAOZMY-UHFFFAOYSA-N -1 3 385.428 0.389 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573487459 946253688 /nfs/dbraw/zinc/25/36/88/946253688.db2.gz ONFOGDTXYDHAAY-PEXQALLHSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573487459 946253697 /nfs/dbraw/zinc/25/36/97/946253697.db2.gz ONFOGDTXYDHAAY-PEXQALLHSA-N -1 3 392.851 0.746 20 0 GCADHM Cc1nsc(N[C@H]2CCCN(C(=O)[C@H]3CCC(=O)NC3)C2)c1-c1nnn[n-]1 ZINC001571299559 946254761 /nfs/dbraw/zinc/25/47/61/946254761.db2.gz XDQUHVRWMYBGAU-QWRGUYRKSA-N -1 3 390.473 0.561 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCN(C2CCOCC2)C1=O ZINC000823009758 946266453 /nfs/dbraw/zinc/26/64/53/946266453.db2.gz SHTDKQNXDKMDAZ-HNNXBMFYSA-N -1 3 386.412 0.602 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573488541 946267072 /nfs/dbraw/zinc/26/70/72/946267072.db2.gz BXVBHKGTIVTGPC-UHFFFAOYSA-N -1 3 386.460 0.653 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573488541 946267080 /nfs/dbraw/zinc/26/70/80/946267080.db2.gz BXVBHKGTIVTGPC-UHFFFAOYSA-N -1 3 386.460 0.653 20 0 GCADHM CC(=O)NC1(C(=O)NC/C=C\CNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488574 946269738 /nfs/dbraw/zinc/26/97/38/946269738.db2.gz DKVPXGCDOPAXCT-PLNGDYQASA-N -1 3 384.444 0.795 20 0 GCADHM CC(=O)NC1(C(=O)NC/C=C\CNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488574 946269748 /nfs/dbraw/zinc/26/97/48/946269748.db2.gz DKVPXGCDOPAXCT-PLNGDYQASA-N -1 3 384.444 0.795 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573488668 946271955 /nfs/dbraw/zinc/27/19/55/946271955.db2.gz HZOIKLRDVSTJQG-UHFFFAOYSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573488668 946271965 /nfs/dbraw/zinc/27/19/65/946271965.db2.gz HZOIKLRDVSTJQG-UHFFFAOYSA-N -1 3 386.460 0.889 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1ccccc1C(=O)NC1CC1 ZINC000823022550 946277852 /nfs/dbraw/zinc/27/78/52/946277852.db2.gz IMVHAIPHLKCIQF-UHFFFAOYSA-N -1 3 395.379 0.883 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1ccccc1C(=O)NC1CC1 ZINC000823022550 946277862 /nfs/dbraw/zinc/27/78/62/946277862.db2.gz IMVHAIPHLKCIQF-UHFFFAOYSA-N -1 3 395.379 0.883 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)CNc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573488858 946278681 /nfs/dbraw/zinc/27/86/81/946278681.db2.gz OHXXJWBTMZZNLE-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)CNc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573488858 946278690 /nfs/dbraw/zinc/27/86/90/946278690.db2.gz OHXXJWBTMZZNLE-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488880 946280587 /nfs/dbraw/zinc/28/05/87/946280587.db2.gz OUTQWNIUKODZGK-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488880 946280594 /nfs/dbraw/zinc/28/05/94/946280594.db2.gz OUTQWNIUKODZGK-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571300310 946280590 /nfs/dbraw/zinc/28/05/90/946280590.db2.gz ZJONGRYPKKOYPF-MXWKQRLJSA-N -1 3 390.835 0.439 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571300310 946280596 /nfs/dbraw/zinc/28/05/96/946280596.db2.gz ZJONGRYPKKOYPF-MXWKQRLJSA-N -1 3 390.835 0.439 20 0 GCADHM CC(=O)NC1(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001573488965 946283058 /nfs/dbraw/zinc/28/30/58/946283058.db2.gz RJGAYTDGQPZLGW-UHFFFAOYSA-N -1 3 383.456 0.616 20 0 GCADHM CC(=O)NC1(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001573488965 946283070 /nfs/dbraw/zinc/28/30/70/946283070.db2.gz RJGAYTDGQPZLGW-UHFFFAOYSA-N -1 3 383.456 0.616 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1C(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571301745 946284020 /nfs/dbraw/zinc/28/40/20/946284020.db2.gz BVMZWQUGLQFHFV-KIXCIYMXSA-N -1 3 391.382 0.958 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[C@@H]1C(F)F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571301745 946284025 /nfs/dbraw/zinc/28/40/25/946284025.db2.gz BVMZWQUGLQFHFV-KIXCIYMXSA-N -1 3 391.382 0.958 20 0 GCADHM O=C(c1ccnc2c1CC(=O)N2)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571301847 946284494 /nfs/dbraw/zinc/28/44/94/946284494.db2.gz FPUXTXDKXGWSSA-NSHDSACASA-N -1 3 391.395 0.478 20 0 GCADHM O=C(c1ccnc2c1CC(=O)N2)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571301847 946284506 /nfs/dbraw/zinc/28/45/06/946284506.db2.gz FPUXTXDKXGWSSA-NSHDSACASA-N -1 3 391.395 0.478 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573489076 946285152 /nfs/dbraw/zinc/28/51/52/946285152.db2.gz WSVJTDXBNABEMH-CQSZACIVSA-N -1 3 384.444 0.406 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573489076 946285163 /nfs/dbraw/zinc/28/51/63/946285163.db2.gz WSVJTDXBNABEMH-CQSZACIVSA-N -1 3 384.444 0.406 20 0 GCADHM Cc1ncc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001571301902 946287767 /nfs/dbraw/zinc/28/77/67/946287767.db2.gz HIQKYFMZHHANMP-VIFPVBQESA-N -1 3 391.413 0.146 20 0 GCADHM Cc1ncc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001571301902 946287775 /nfs/dbraw/zinc/28/77/75/946287775.db2.gz HIQKYFMZHHANMP-VIFPVBQESA-N -1 3 391.413 0.146 20 0 GCADHM CC(=O)NC1CCC(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573491599 946288227 /nfs/dbraw/zinc/28/82/27/946288227.db2.gz AAEPSUUVFOUWKL-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC1CCC(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573491599 946288238 /nfs/dbraw/zinc/28/82/38/946288238.db2.gz AAEPSUUVFOUWKL-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM Cc1ncc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001571301901 946288736 /nfs/dbraw/zinc/28/87/36/946288736.db2.gz HIQKYFMZHHANMP-SECBINFHSA-N -1 3 391.413 0.146 20 0 GCADHM Cc1ncc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001571301901 946288747 /nfs/dbraw/zinc/28/87/47/946288747.db2.gz HIQKYFMZHHANMP-SECBINFHSA-N -1 3 391.413 0.146 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC2(C1)CCN(C(=O)C1CC(F)(F)C1)C2 ZINC001571301982 946289543 /nfs/dbraw/zinc/28/95/43/946289543.db2.gz KOOGDGPUROBFJF-UHFFFAOYSA-N -1 3 391.382 0.915 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC2(C1)CCN(C(=O)C1CC(F)(F)C1)C2 ZINC001571301982 946289550 /nfs/dbraw/zinc/28/95/50/946289550.db2.gz KOOGDGPUROBFJF-UHFFFAOYSA-N -1 3 391.382 0.915 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000823043853 946291365 /nfs/dbraw/zinc/29/13/65/946291365.db2.gz KBXDKPWWKGLPSY-HNNXBMFYSA-N -1 3 386.412 0.142 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000823043853 946291376 /nfs/dbraw/zinc/29/13/76/946291376.db2.gz KBXDKPWWKGLPSY-HNNXBMFYSA-N -1 3 386.412 0.142 20 0 GCADHM C[C@H]1NC(C(=O)NCc2cncc(-c3nnn[n-]3)c2)=NN(c2ccccc2)C1=O ZINC001571302222 946297926 /nfs/dbraw/zinc/29/79/26/946297926.db2.gz RSSKLXDGPGEQAK-LLVKDONJSA-N -1 3 391.395 0.216 20 0 GCADHM C[C@H]1NC(C(=O)NCc2cncc(-c3nn[n-]n3)c2)=NN(c2ccccc2)C1=O ZINC001571302222 946297931 /nfs/dbraw/zinc/29/79/31/946297931.db2.gz RSSKLXDGPGEQAK-LLVKDONJSA-N -1 3 391.395 0.216 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@@H]2CN(C(=O)C3(C(F)F)CC3)[C@@H]2C1 ZINC001571302412 946301865 /nfs/dbraw/zinc/30/18/65/946301865.db2.gz XCHLMVHPRJEOFU-BXKDBHETSA-N -1 3 391.382 0.913 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@H]2CN(C(=O)C3(C(F)F)CC3)[C@@H]2C1 ZINC001571302412 946301873 /nfs/dbraw/zinc/30/18/73/946301873.db2.gz XCHLMVHPRJEOFU-BXKDBHETSA-N -1 3 391.382 0.913 20 0 GCADHM O=C(N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)C1(F)CCOCC1 ZINC001571302416 946302130 /nfs/dbraw/zinc/30/21/30/946302130.db2.gz XEDZHDGXJHGLLH-ZDUSSCGKSA-N -1 3 391.407 0.420 20 0 GCADHM O=C(N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)C1(F)CCOCC1 ZINC001571302416 946302142 /nfs/dbraw/zinc/30/21/42/946302142.db2.gz XEDZHDGXJHGLLH-ZDUSSCGKSA-N -1 3 391.407 0.420 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F)[C@H]1COCCO1 ZINC001571302460 946305753 /nfs/dbraw/zinc/30/57/53/946305753.db2.gz YHAXDCMQKHVEIJ-MGPQQGTHSA-N -1 3 391.407 0.656 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F)[C@H]1COCCO1 ZINC001571302460 946305763 /nfs/dbraw/zinc/30/57/63/946305763.db2.gz YHAXDCMQKHVEIJ-MGPQQGTHSA-N -1 3 391.407 0.656 20 0 GCADHM CC(=O)NC1CCC(C(=O)Nc2ncc3c(c2-c2nnn[n-]2)COCC3)CC1 ZINC001573495479 946308375 /nfs/dbraw/zinc/30/83/75/946308375.db2.gz QOIVJCBCVSCCCN-UHFFFAOYSA-N -1 3 385.428 0.968 20 0 GCADHM CC(=O)NC1CCC(C(=O)N(C)CCNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573496169 946322204 /nfs/dbraw/zinc/32/22/04/946322204.db2.gz WQZDQETUCFLPJY-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC1CCC(C(=O)N(C)CCNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573496169 946322217 /nfs/dbraw/zinc/32/22/17/946322217.db2.gz WQZDQETUCFLPJY-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM Cc1nc(N2C[C@@H]3CN(C(=O)c4ccncn4)C[C@]3(C)C2)ccc1-c1nnn[n-]1 ZINC001571303375 946333215 /nfs/dbraw/zinc/33/32/15/946333215.db2.gz POYWVDKHUSQTFF-YJYMSZOUSA-N -1 3 391.439 0.959 20 0 GCADHM Cc1nc(N2C[C@@H]3CN(C(=O)c4ccncn4)C[C@]3(C)C2)ccc1-c1nn[n-]n1 ZINC001571303375 946333219 /nfs/dbraw/zinc/33/32/19/946333219.db2.gz POYWVDKHUSQTFF-YJYMSZOUSA-N -1 3 391.439 0.959 20 0 GCADHM CC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573496844 946334448 /nfs/dbraw/zinc/33/44/48/946334448.db2.gz DRXDBEDURJCQBN-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573496844 946334462 /nfs/dbraw/zinc/33/44/62/946334462.db2.gz DRXDBEDURJCQBN-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573497132 946341872 /nfs/dbraw/zinc/34/18/72/946341872.db2.gz LTBFGEVMLRNCET-XJKSGUPXSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573497132 946341887 /nfs/dbraw/zinc/34/18/87/946341887.db2.gz LTBFGEVMLRNCET-XJKSGUPXSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)C2Cc3ccccc3C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571303623 946342673 /nfs/dbraw/zinc/34/26/73/946342673.db2.gz OGSASPGBBRXDFW-IYBDPMFKSA-N -1 3 391.435 0.987 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)C2Cc3ccccc3C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571303623 946342683 /nfs/dbraw/zinc/34/26/83/946342683.db2.gz OGSASPGBBRXDFW-IYBDPMFKSA-N -1 3 391.435 0.987 20 0 GCADHM CC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001573497183 946343428 /nfs/dbraw/zinc/34/34/28/946343428.db2.gz MTBBIAUCJNMGID-VIFPVBQESA-N -1 3 379.218 0.980 20 0 GCADHM CC(=O)N[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001573497183 946343438 /nfs/dbraw/zinc/34/34/38/946343438.db2.gz MTBBIAUCJNMGID-VIFPVBQESA-N -1 3 379.218 0.980 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000823206223 946343663 /nfs/dbraw/zinc/34/36/63/946343663.db2.gz OUFJXONDHVBGBQ-ZDUSSCGKSA-N -1 3 386.338 0.382 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000823206223 946343675 /nfs/dbraw/zinc/34/36/75/946343675.db2.gz OUFJXONDHVBGBQ-ZDUSSCGKSA-N -1 3 386.338 0.382 20 0 GCADHM COc1ncc(NC(=O)N2CCC(CCO)(CCO)CC2)cc1-c1nnn[n-]1 ZINC001571303714 946345305 /nfs/dbraw/zinc/34/53/05/946345305.db2.gz PTQSRRADHSLWAU-UHFFFAOYSA-N -1 3 391.432 0.649 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)s1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC001571303963 946352819 /nfs/dbraw/zinc/35/28/19/946352819.db2.gz UACJAQBCDHDGER-UHFFFAOYSA-N -1 3 391.438 0.042 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(CCO)CCOCC(F)(F)F ZINC000823257114 946358553 /nfs/dbraw/zinc/35/85/53/946358553.db2.gz AMUYNUDAXBPJLS-UHFFFAOYSA-N -1 3 388.350 0.950 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(CCO)CCOCC(F)(F)F ZINC000823257114 946358562 /nfs/dbraw/zinc/35/85/62/946358562.db2.gz AMUYNUDAXBPJLS-UHFFFAOYSA-N -1 3 388.350 0.950 20 0 GCADHM CN(C(=O)[C@H]1CCS(=O)(=O)C1)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571305744 946372701 /nfs/dbraw/zinc/37/27/01/946372701.db2.gz BOSCEYKGXICOIJ-PKSQDBQZSA-N -1 3 391.457 0.098 20 0 GCADHM CN(C(=O)[C@H]1CCS(=O)(=O)C1)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571305744 946372709 /nfs/dbraw/zinc/37/27/09/946372709.db2.gz BOSCEYKGXICOIJ-PKSQDBQZSA-N -1 3 391.457 0.098 20 0 GCADHM CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571305745 946373156 /nfs/dbraw/zinc/37/31/56/946373156.db2.gz BOSCEYKGXICOIJ-QFWMXSHPSA-N -1 3 391.457 0.098 20 0 GCADHM CN(C(=O)[C@@H]1CCS(=O)(=O)C1)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571305745 946373169 /nfs/dbraw/zinc/37/31/69/946373169.db2.gz BOSCEYKGXICOIJ-QFWMXSHPSA-N -1 3 391.457 0.098 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573500469 946373398 /nfs/dbraw/zinc/37/33/98/946373398.db2.gz KHUOSLWJFKFRSW-CYBMUJFWSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573500469 946373409 /nfs/dbraw/zinc/37/34/09/946373409.db2.gz KHUOSLWJFKFRSW-CYBMUJFWSA-N -1 3 375.408 0.175 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571305903 946377658 /nfs/dbraw/zinc/37/76/58/946377658.db2.gz CYVGHNFSHFESTF-ZRUFSTJUSA-N -1 3 391.457 0.747 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571305879 946378283 /nfs/dbraw/zinc/37/82/83/946378283.db2.gz MUGVKXTYOMZWJG-SECBINFHSA-N -1 3 391.798 0.796 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571305879 946378296 /nfs/dbraw/zinc/37/82/96/946378296.db2.gz MUGVKXTYOMZWJG-SECBINFHSA-N -1 3 391.798 0.796 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571306159 946391231 /nfs/dbraw/zinc/39/12/31/946391231.db2.gz QEQWLUOWAGTNIP-GXSJLCMTSA-N -1 3 391.819 0.881 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571306159 946391240 /nfs/dbraw/zinc/39/12/40/946391240.db2.gz QEQWLUOWAGTNIP-GXSJLCMTSA-N -1 3 391.819 0.881 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573503614 946394254 /nfs/dbraw/zinc/39/42/54/946394254.db2.gz AWFAXUXHEVXRDQ-GASCZTMLSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573503646 946397115 /nfs/dbraw/zinc/39/71/15/946397115.db2.gz ATVXBPDKYHINCN-HZMBPMFUSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573503646 946397131 /nfs/dbraw/zinc/39/71/31/946397131.db2.gz ATVXBPDKYHINCN-HZMBPMFUSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573503696 946397298 /nfs/dbraw/zinc/39/72/98/946397298.db2.gz BFCXDUMPEYWYTA-CABCVRRESA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573503696 946397310 /nfs/dbraw/zinc/39/73/10/946397310.db2.gz BFCXDUMPEYWYTA-CABCVRRESA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573503849 946398213 /nfs/dbraw/zinc/39/82/13/946398213.db2.gz CIMGTQAMJHXHIM-LDYMZIIASA-N -1 3 378.462 0.417 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571306485 946401683 /nfs/dbraw/zinc/40/16/83/946401683.db2.gz LTAVSRDSQDBBDZ-RYUDHWBXSA-N -1 3 391.457 0.018 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571306485 946401694 /nfs/dbraw/zinc/40/16/94/946401694.db2.gz LTAVSRDSQDBBDZ-RYUDHWBXSA-N -1 3 391.457 0.018 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)s1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001571306607 946404049 /nfs/dbraw/zinc/40/40/49/946404049.db2.gz MEVMCYPYEUVEKS-GFCCVEGCSA-N -1 3 391.457 0.461 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573504241 946408265 /nfs/dbraw/zinc/40/82/65/946408265.db2.gz GEVUVIONLWVYOV-LLVKDONJSA-N -1 3 392.851 0.702 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573504241 946408272 /nfs/dbraw/zinc/40/82/72/946408272.db2.gz GEVUVIONLWVYOV-LLVKDONJSA-N -1 3 392.851 0.702 20 0 GCADHM O=C(c1n[nH]c2c1CCC2)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571306768 946409678 /nfs/dbraw/zinc/40/96/78/946409678.db2.gz PIISRLGMGDETSP-TXEJJXNPSA-N -1 3 391.439 0.682 20 0 GCADHM O=C(c1n[nH]c2c1CCC2)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571306768 946409683 /nfs/dbraw/zinc/40/96/83/946409683.db2.gz PIISRLGMGDETSP-TXEJJXNPSA-N -1 3 391.439 0.682 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573504292 946410723 /nfs/dbraw/zinc/41/07/23/946410723.db2.gz GNMUTIYZPWYQDG-LBPRGKRZSA-N -1 3 375.408 0.792 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573504292 946410728 /nfs/dbraw/zinc/41/07/28/946410728.db2.gz GNMUTIYZPWYQDG-LBPRGKRZSA-N -1 3 375.408 0.792 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504337 946411012 /nfs/dbraw/zinc/41/10/12/946411012.db2.gz HFDRVYWNCKWOKK-JQWIXIFHSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504337 946411015 /nfs/dbraw/zinc/41/10/15/946411015.db2.gz HFDRVYWNCKWOKK-JQWIXIFHSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CCC(C)(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573504666 946412956 /nfs/dbraw/zinc/41/29/56/946412956.db2.gz IGBLPOOOYKPYQY-UHFFFAOYSA-N -1 3 376.396 0.330 20 0 GCADHM CC(=O)NCC(=O)N1CCC(C)(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573504666 946412961 /nfs/dbraw/zinc/41/29/61/946412961.db2.gz IGBLPOOOYKPYQY-UHFFFAOYSA-N -1 3 376.396 0.330 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncc(-c2nnn[n-]2)cc1F ZINC001573504719 946412993 /nfs/dbraw/zinc/41/29/93/946412993.db2.gz IOEKIGOQOGXOFB-OLZOCXBDSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncc(-c2nn[n-]n2)cc1F ZINC001573504719 946412999 /nfs/dbraw/zinc/41/29/99/946412999.db2.gz IOEKIGOQOGXOFB-OLZOCXBDSA-N -1 3 388.407 0.107 20 0 GCADHM Cc1nsc(N2C[C@@H]3CCN(C(=O)[C@@H]4COCCO4)[C@@H]3C2)c1-c1nnn[n-]1 ZINC001571306998 946413634 /nfs/dbraw/zinc/41/36/34/946413634.db2.gz SSYFCXWXXVNORO-TUAOUCFPSA-N -1 3 391.457 0.084 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504802 946414540 /nfs/dbraw/zinc/41/45/40/946414540.db2.gz KLEQTPOBMINTNM-GWCFXTLKSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504802 946414551 /nfs/dbraw/zinc/41/45/51/946414551.db2.gz KLEQTPOBMINTNM-GWCFXTLKSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504763 946414963 /nfs/dbraw/zinc/41/49/63/946414963.db2.gz JLJUWDIMSQGKAQ-GXSJLCMTSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504763 946414970 /nfs/dbraw/zinc/41/49/70/946414970.db2.gz JLJUWDIMSQGKAQ-GXSJLCMTSA-N -1 3 376.396 0.186 20 0 GCADHM COc1ccc(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)cc1-c1nnn[n-]1 ZINC001571308054 946428464 /nfs/dbraw/zinc/42/84/64/946428464.db2.gz KTJUDSKXQMXNNV-UHFFFAOYSA-N -1 3 392.372 0.914 20 0 GCADHM COc1ccc(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)cc1-c1nn[n-]n1 ZINC001571308054 946428473 /nfs/dbraw/zinc/42/84/73/946428473.db2.gz KTJUDSKXQMXNNV-UHFFFAOYSA-N -1 3 392.372 0.914 20 0 GCADHM CC(=O)NCC(=O)N1CCC([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573506397 946433456 /nfs/dbraw/zinc/43/34/56/946433456.db2.gz RPMZBQQGEBJQCB-GFCCVEGCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573506397 946433460 /nfs/dbraw/zinc/43/34/60/946433460.db2.gz RPMZBQQGEBJQCB-GFCCVEGCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCN2c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573506763 946436539 /nfs/dbraw/zinc/43/65/39/946436539.db2.gz TVUSXQXNOREDJD-NWDGAFQWSA-N -1 3 390.473 0.195 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573506706 946436591 /nfs/dbraw/zinc/43/65/91/946436591.db2.gz RXIQPJJPCZCNKJ-ZDUSSCGKSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573506706 946436593 /nfs/dbraw/zinc/43/65/93/946436593.db2.gz RXIQPJJPCZCNKJ-ZDUSSCGKSA-N -1 3 389.435 0.817 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O)C1(F)CCCC1 ZINC001571308872 946438447 /nfs/dbraw/zinc/43/84/47/946438447.db2.gz UCNICVYNGKQZBB-CABCVRRESA-N -1 3 392.410 0.949 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O)C1(F)CCCC1 ZINC001571308872 946438458 /nfs/dbraw/zinc/43/84/58/946438458.db2.gz UCNICVYNGKQZBB-CABCVRRESA-N -1 3 392.410 0.949 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC001571309487 946446694 /nfs/dbraw/zinc/44/66/94/946446694.db2.gz BJYVFVBWQDKJDP-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC001571309487 946446696 /nfs/dbraw/zinc/44/66/96/946446696.db2.gz BJYVFVBWQDKJDP-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001571309528 946446899 /nfs/dbraw/zinc/44/68/99/946446899.db2.gz CNNKJQJSGMBOEN-UHFFFAOYSA-N -1 3 392.416 0.552 20 0 GCADHM COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001571309528 946446905 /nfs/dbraw/zinc/44/69/05/946446905.db2.gz CNNKJQJSGMBOEN-UHFFFAOYSA-N -1 3 392.416 0.552 20 0 GCADHM COc1cccnc1CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571309535 946447257 /nfs/dbraw/zinc/44/72/57/946447257.db2.gz CPTCISNJSDHOEA-LAQFHYBYSA-N -1 3 392.423 0.459 20 0 GCADHM COc1cccnc1CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571309535 946447263 /nfs/dbraw/zinc/44/72/63/946447263.db2.gz CPTCISNJSDHOEA-LAQFHYBYSA-N -1 3 392.423 0.459 20 0 GCADHM NC(=O)c1ncccc1C(=O)NC[C@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001571309527 946447605 /nfs/dbraw/zinc/44/76/05/946447605.db2.gz CLZXFYCPNZSPEM-CQSZACIVSA-N -1 3 392.423 0.365 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC001573507708 946449335 /nfs/dbraw/zinc/44/93/35/946449335.db2.gz WZHZFQVYZHKWJE-HUUCEWRRSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC001573507708 946449341 /nfs/dbraw/zinc/44/93/41/946449341.db2.gz WZHZFQVYZHKWJE-HUUCEWRRSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573507670 946449427 /nfs/dbraw/zinc/44/94/27/946449427.db2.gz WJRPYXGGHOBATI-MLGOLLRUSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573507670 946449442 /nfs/dbraw/zinc/44/94/42/946449442.db2.gz WJRPYXGGHOBATI-MLGOLLRUSA-N -1 3 386.460 0.827 20 0 GCADHM NC(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2-c2nn[n-]n2)[nH]1 ZINC001571309721 946451221 /nfs/dbraw/zinc/45/12/21/946451221.db2.gz INZIAKMSPDUWDH-STQMWFEESA-N -1 3 392.423 0.393 20 0 GCADHM CNC(=O)c1cccc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571309673 946451546 /nfs/dbraw/zinc/45/15/46/946451546.db2.gz HISMDDFZGLWPMT-CQSZACIVSA-N -1 3 392.423 0.948 20 0 GCADHM CNC(=O)c1cccc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571309673 946451555 /nfs/dbraw/zinc/45/15/55/946451555.db2.gz HISMDDFZGLWPMT-CQSZACIVSA-N -1 3 392.423 0.948 20 0 GCADHM Cn1cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)C2)nn1 ZINC001571309767 946452443 /nfs/dbraw/zinc/45/24/43/946452443.db2.gz KDLKKKQMALEDNE-JTQLQIEISA-N -1 3 392.420 0.703 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573508061 946452559 /nfs/dbraw/zinc/45/25/59/946452559.db2.gz XXIAEJQWNPTATF-ZFWWWQNUSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573508061 946452566 /nfs/dbraw/zinc/45/25/66/946452566.db2.gz XXIAEJQWNPTATF-ZFWWWQNUSA-N -1 3 384.444 0.133 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823613861 946453195 /nfs/dbraw/zinc/45/31/95/946453195.db2.gz KMCQZKYGHAXDSI-ZIAGYGMSSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823613861 946453203 /nfs/dbraw/zinc/45/32/03/946453203.db2.gz KMCQZKYGHAXDSI-ZIAGYGMSSA-N -1 3 397.482 0.597 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573508300 946454533 /nfs/dbraw/zinc/45/45/33/946454533.db2.gz ZEYXVKCZBHCFLF-KGLIPLIRSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573508300 946454538 /nfs/dbraw/zinc/45/45/38/946454538.db2.gz ZEYXVKCZBHCFLF-KGLIPLIRSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573508928 946456460 /nfs/dbraw/zinc/45/64/60/946456460.db2.gz BHNNIJCRPXFXKX-LLVKDONJSA-N -1 3 378.824 0.454 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573508928 946456469 /nfs/dbraw/zinc/45/64/69/946456469.db2.gz BHNNIJCRPXFXKX-LLVKDONJSA-N -1 3 378.824 0.454 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573508974 946457334 /nfs/dbraw/zinc/45/73/34/946457334.db2.gz CUXJBZJSNIJGSI-LBPRGKRZSA-N -1 3 392.489 0.951 20 0 GCADHM CN(c1cccc(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001571309975 946460064 /nfs/dbraw/zinc/46/00/64/946460064.db2.gz QYDMVEFJOXXSHE-HNNXBMFYSA-N -1 3 392.423 0.712 20 0 GCADHM CN(c1cccc(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001571309975 946460070 /nfs/dbraw/zinc/46/00/70/946460070.db2.gz QYDMVEFJOXXSHE-HNNXBMFYSA-N -1 3 392.423 0.712 20 0 GCADHM Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@@H]2COC(=O)N2)c1-c1nnn[n-]1 ZINC001571310560 946474935 /nfs/dbraw/zinc/47/49/35/946474935.db2.gz IZLSQZHMDSRSHR-ZJUUUORDSA-N -1 3 392.445 0.533 20 0 GCADHM Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@H]2COC(=O)N2)c1-c1nnn[n-]1 ZINC001571310559 946475515 /nfs/dbraw/zinc/47/55/15/946475515.db2.gz IZLSQZHMDSRSHR-VHSXEESVSA-N -1 3 392.445 0.533 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573510347 946476440 /nfs/dbraw/zinc/47/64/40/946476440.db2.gz FRZWRTFTMLLLRR-MEDUHNTESA-N -1 3 390.473 0.052 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573511410 946485530 /nfs/dbraw/zinc/48/55/30/946485530.db2.gz PJSVQAXWDBYMJU-ZYHUDNBSSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573511410 946485534 /nfs/dbraw/zinc/48/55/34/946485534.db2.gz PJSVQAXWDBYMJU-ZYHUDNBSSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)NC1(C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001573511496 946487188 /nfs/dbraw/zinc/48/71/88/946487188.db2.gz AUQNBURQTNTYLM-UHFFFAOYSA-N -1 3 384.444 0.263 20 0 GCADHM CC(=O)NCC(=O)NC1(C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001573511496 946487194 /nfs/dbraw/zinc/48/71/94/946487194.db2.gz AUQNBURQTNTYLM-UHFFFAOYSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(c1cc2n(n1)CCO2)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571312364 946489553 /nfs/dbraw/zinc/48/95/53/946489553.db2.gz AQVPDDWPHFBFKC-GJZGRUSLSA-N -1 3 392.423 0.555 20 0 GCADHM Cc1nsc(NCC[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571311505 946489656 /nfs/dbraw/zinc/48/96/56/946489656.db2.gz ZJBHTLGQYHQJTL-VHSXEESVSA-N -1 3 392.445 0.391 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573511967 946490779 /nfs/dbraw/zinc/49/07/79/946490779.db2.gz CMWIXOKSLHZCKS-CABZTGNLSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573511967 946490787 /nfs/dbraw/zinc/49/07/87/946490787.db2.gz CMWIXOKSLHZCKS-CABZTGNLSA-N -1 3 392.851 0.525 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1(c2ccccn2)CC1 ZINC001571312449 946491372 /nfs/dbraw/zinc/49/13/72/946491372.db2.gz DGBCWDGMBZJVII-LBPRGKRZSA-N -1 3 392.423 0.652 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1(c2ccccn2)CC1 ZINC001571312449 946491383 /nfs/dbraw/zinc/49/13/83/946491383.db2.gz DGBCWDGMBZJVII-LBPRGKRZSA-N -1 3 392.423 0.652 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573511823 946491264 /nfs/dbraw/zinc/49/12/64/946491264.db2.gz SNGGKFRXHMHWDY-SNVBAGLBSA-N -1 3 375.408 0.078 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001571312431 946491847 /nfs/dbraw/zinc/49/18/47/946491847.db2.gz CTWUBBRTGROPIC-NEPJUHHUSA-N -1 3 392.427 0.787 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001571312431 946491855 /nfs/dbraw/zinc/49/18/55/946491855.db2.gz CTWUBBRTGROPIC-NEPJUHHUSA-N -1 3 392.427 0.787 20 0 GCADHM CN(C)c1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001571312590 946496716 /nfs/dbraw/zinc/49/67/16/946496716.db2.gz IBRHVIFVDGMGGK-STQMWFEESA-N -1 3 392.427 0.221 20 0 GCADHM CN(C)c1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001571312590 946496721 /nfs/dbraw/zinc/49/67/21/946496721.db2.gz IBRHVIFVDGMGGK-STQMWFEESA-N -1 3 392.427 0.221 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC001573512411 946497580 /nfs/dbraw/zinc/49/75/80/946497580.db2.gz FRVFDWGFVCAPQD-KBPBESRZSA-N -1 3 387.419 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC001573512411 946497583 /nfs/dbraw/zinc/49/75/83/946497583.db2.gz FRVFDWGFVCAPQD-KBPBESRZSA-N -1 3 387.419 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C12CCC2 ZINC001573512367 946498292 /nfs/dbraw/zinc/49/82/92/946498292.db2.gz FHJAANGDNUCJRY-WDEREUQCSA-N -1 3 390.473 0.607 20 0 GCADHM CC(=O)NCC(=O)NC1(C2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC1 ZINC001573512765 946502391 /nfs/dbraw/zinc/50/23/91/946502391.db2.gz HNJPKLXBLHHANT-UHFFFAOYSA-N -1 3 384.444 0.263 20 0 GCADHM CC(=O)NCC(=O)NC1(C2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC1 ZINC001573512765 946502397 /nfs/dbraw/zinc/50/23/97/946502397.db2.gz HNJPKLXBLHHANT-UHFFFAOYSA-N -1 3 384.444 0.263 20 0 GCADHM CC(=O)NCC(=O)NC1(C)CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573512975 946505459 /nfs/dbraw/zinc/50/54/59/946505459.db2.gz JXSBKJVQTWEJSE-UHFFFAOYSA-N -1 3 378.462 0.243 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC2(CN(C(=O)c3ccncc3)C2)C1 ZINC001571312883 946505843 /nfs/dbraw/zinc/50/58/43/946505843.db2.gz LQNZTVXTAGTQIS-UHFFFAOYSA-N -1 3 392.423 0.968 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC2(CN(C(=O)c3ccncc3)C2)C1 ZINC001571312883 946505851 /nfs/dbraw/zinc/50/58/51/946505851.db2.gz LQNZTVXTAGTQIS-UHFFFAOYSA-N -1 3 392.423 0.968 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573513186 946507807 /nfs/dbraw/zinc/50/78/07/946507807.db2.gz LMWUEJOULJYREP-UKRRQHHQSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573513186 946507816 /nfs/dbraw/zinc/50/78/16/946507816.db2.gz LMWUEJOULJYREP-UKRRQHHQSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573513357 946511092 /nfs/dbraw/zinc/51/10/92/946511092.db2.gz MVCJLGSHUXHCNK-MNOVXSKESA-N -1 3 378.462 0.465 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573513487 946512154 /nfs/dbraw/zinc/51/21/54/946512154.db2.gz NLLILVXWXTURHV-HIFRSBDPSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573513487 946512164 /nfs/dbraw/zinc/51/21/64/946512164.db2.gz NLLILVXWXTURHV-HIFRSBDPSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573513493 946513582 /nfs/dbraw/zinc/51/35/82/946513582.db2.gz NLLILVXWXTURHV-ZFWWWQNUSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573513493 946513590 /nfs/dbraw/zinc/51/35/90/946513590.db2.gz NLLILVXWXTURHV-ZFWWWQNUSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C12CCC2 ZINC001573513785 946515400 /nfs/dbraw/zinc/51/54/00/946515400.db2.gz QGSFXZAQEIPYAL-OLZOCXBDSA-N -1 3 388.407 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C12CCC2 ZINC001573513785 946515411 /nfs/dbraw/zinc/51/54/11/946515411.db2.gz QGSFXZAQEIPYAL-OLZOCXBDSA-N -1 3 388.407 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC12CCN(c1ncc(-c3nnn[n-]3)cc1F)CC2 ZINC001573514273 946523966 /nfs/dbraw/zinc/52/39/66/946523966.db2.gz WCCYOGZPUXMDHW-CYBMUJFWSA-N -1 3 388.407 0.012 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC12CCN(c1ncc(-c3nn[n-]n3)cc1F)CC2 ZINC001573514273 946523972 /nfs/dbraw/zinc/52/39/72/946523972.db2.gz WCCYOGZPUXMDHW-CYBMUJFWSA-N -1 3 388.407 0.012 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C1 ZINC001573514352 946524873 /nfs/dbraw/zinc/52/48/73/946524873.db2.gz XRJQPBDQTQLUBA-HZSPNIEDSA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2C1 ZINC001573514352 946524885 /nfs/dbraw/zinc/52/48/85/946524885.db2.gz XRJQPBDQTQLUBA-HZSPNIEDSA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncc(-c3nnn[n-]3)cc1F)C2 ZINC001573514317 946525493 /nfs/dbraw/zinc/52/54/93/946525493.db2.gz XCDVLFWYAKHAPH-DRZSPHRISA-N -1 3 388.407 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncc(-c3nn[n-]n3)cc1F)C2 ZINC001573514317 946525508 /nfs/dbraw/zinc/52/55/08/946525508.db2.gz XCDVLFWYAKHAPH-DRZSPHRISA-N -1 3 388.407 0.010 20 0 GCADHM CC(=O)C[C@H]1COCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823966813 946528395 /nfs/dbraw/zinc/52/83/95/946528395.db2.gz AXFFEABGJXJQFW-JTQLQIEISA-N -1 3 387.368 0.514 20 0 GCADHM CC(=O)C[C@H]1COCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823966813 946528406 /nfs/dbraw/zinc/52/84/06/946528406.db2.gz AXFFEABGJXJQFW-JTQLQIEISA-N -1 3 387.368 0.514 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823993963 946536169 /nfs/dbraw/zinc/53/61/69/946536169.db2.gz CFOMOKQUKLBDAR-HNNXBMFYSA-N -1 3 388.428 0.577 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823993963 946536179 /nfs/dbraw/zinc/53/61/79/946536179.db2.gz CFOMOKQUKLBDAR-HNNXBMFYSA-N -1 3 388.428 0.577 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)CC(C)(C)C1 ZINC001573515214 946541274 /nfs/dbraw/zinc/54/12/74/946541274.db2.gz JAARJHXHKTVHFX-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)CC(C)(C)C1 ZINC001573515214 946541282 /nfs/dbraw/zinc/54/12/82/946541282.db2.gz JAARJHXHKTVHFX-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1(C)C ZINC001573515493 946545312 /nfs/dbraw/zinc/54/53/12/946545312.db2.gz NDVKZRGWQXJXBR-CQSZACIVSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1(C)C ZINC001573515493 946545322 /nfs/dbraw/zinc/54/53/22/946545322.db2.gz NDVKZRGWQXJXBR-CQSZACIVSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573515666 946547810 /nfs/dbraw/zinc/54/78/10/946547810.db2.gz OVQHTWHIXXCFNX-LDYMZIIASA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H]1C ZINC001573515792 946551231 /nfs/dbraw/zinc/55/12/31/946551231.db2.gz RMNUIAGLLPYMSV-NOZJJQNGSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H]1C ZINC001573515792 946551241 /nfs/dbraw/zinc/55/12/41/946551241.db2.gz RMNUIAGLLPYMSV-NOZJJQNGSA-N -1 3 376.396 0.010 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000824040287 946563728 /nfs/dbraw/zinc/56/37/28/946563728.db2.gz NZRUAFLEXACDJW-CQSZACIVSA-N -1 3 395.471 0.647 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573516998 946564064 /nfs/dbraw/zinc/56/40/64/946564064.db2.gz BYONMRDQFVZEFB-CQSZACIVSA-N -1 3 386.460 0.571 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573516998 946564071 /nfs/dbraw/zinc/56/40/71/946564071.db2.gz BYONMRDQFVZEFB-CQSZACIVSA-N -1 3 386.460 0.571 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCC(C)(C)CN1c1ncccc1-c1nnn[n-]1 ZINC001573517474 946573511 /nfs/dbraw/zinc/57/35/11/946573511.db2.gz LAIIASCVPFMSDC-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCC(C)(C)CN1c1ncccc1-c1nn[n-]n1 ZINC001573517474 946573517 /nfs/dbraw/zinc/57/35/17/946573517.db2.gz LAIIASCVPFMSDC-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC001573517657 946578625 /nfs/dbraw/zinc/57/86/25/946578625.db2.gz PAQHHHGAWJNFDY-GFCCVEGCSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC001573517657 946578636 /nfs/dbraw/zinc/57/86/36/946578636.db2.gz PAQHHHGAWJNFDY-GFCCVEGCSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)NCC(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573517605 946579673 /nfs/dbraw/zinc/57/96/73/946579673.db2.gz OLEGXBGNIXVJRI-UHFFFAOYSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573517605 946579677 /nfs/dbraw/zinc/57/96/77/946579677.db2.gz OLEGXBGNIXVJRI-UHFFFAOYSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001573517856 946582026 /nfs/dbraw/zinc/58/20/26/946582026.db2.gz SUQPRPGPORWAIB-LLVKDONJSA-N -1 3 378.462 0.243 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573518008 946584226 /nfs/dbraw/zinc/58/42/26/946584226.db2.gz VCZBMWNCJNGXCC-CQSZACIVSA-N -1 3 386.460 0.571 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573518008 946584237 /nfs/dbraw/zinc/58/42/37/946584237.db2.gz VCZBMWNCJNGXCC-CQSZACIVSA-N -1 3 386.460 0.571 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573520303 946594692 /nfs/dbraw/zinc/59/46/92/946594692.db2.gz HXFDAEWSJISFCL-ZYHUDNBSSA-N -1 3 390.423 0.116 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573520303 946594700 /nfs/dbraw/zinc/59/47/00/946594700.db2.gz HXFDAEWSJISFCL-ZYHUDNBSSA-N -1 3 390.423 0.116 20 0 GCADHM CC(=O)NCC(=O)NCCC1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573520545 946599151 /nfs/dbraw/zinc/59/91/51/946599151.db2.gz JSTALDUVFGGOPT-UHFFFAOYSA-N -1 3 392.489 0.490 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001573520904 946600664 /nfs/dbraw/zinc/60/06/64/946600664.db2.gz PJQUWJXMJYBOMI-YOWGUQMCSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001573520904 946600672 /nfs/dbraw/zinc/60/06/72/946600672.db2.gz PJQUWJXMJYBOMI-YOWGUQMCSA-N -1 3 384.444 0.261 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571317377 946608187 /nfs/dbraw/zinc/60/81/87/946608187.db2.gz FKRLODLKESGHKC-ONGXEEELSA-N -1 3 392.807 0.061 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571317377 946608197 /nfs/dbraw/zinc/60/81/97/946608197.db2.gz FKRLODLKESGHKC-ONGXEEELSA-N -1 3 392.807 0.061 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ncc(Cl)s2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571317402 946608597 /nfs/dbraw/zinc/60/85/97/946608597.db2.gz GOSSLRCCAAOXHK-ZETCQYMHSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ncc(Cl)s2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571317402 946608603 /nfs/dbraw/zinc/60/86/03/946608603.db2.gz GOSSLRCCAAOXHK-ZETCQYMHSA-N -1 3 392.832 0.949 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573521774 946612451 /nfs/dbraw/zinc/61/24/51/946612451.db2.gz FUSGYHBEVPLRCK-NSHDSACASA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573521774 946612458 /nfs/dbraw/zinc/61/24/58/946612458.db2.gz FUSGYHBEVPLRCK-NSHDSACASA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)NCc1ccc(CNc2ncccc2-c2nnn[n-]2)cc1 ZINC001573521803 946612523 /nfs/dbraw/zinc/61/25/23/946612523.db2.gz HPAGBMLBWLHVQF-UHFFFAOYSA-N -1 3 380.412 0.626 20 0 GCADHM CC(=O)NCC(=O)NCc1ccc(CNc2ncccc2-c2nn[n-]n2)cc1 ZINC001573521803 946612532 /nfs/dbraw/zinc/61/25/32/946612532.db2.gz HPAGBMLBWLHVQF-UHFFFAOYSA-N -1 3 380.412 0.626 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O)c1cncs1 ZINC001571317525 946614027 /nfs/dbraw/zinc/61/40/27/946614027.db2.gz LHFGCDVMQTYDOV-ZJUUUORDSA-N -1 3 392.832 0.351 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O)c1cncs1 ZINC001571317525 946614033 /nfs/dbraw/zinc/61/40/33/946614033.db2.gz LHFGCDVMQTYDOV-ZJUUUORDSA-N -1 3 392.832 0.351 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573521773 946614326 /nfs/dbraw/zinc/61/43/26/946614326.db2.gz FUSGYHBEVPLRCK-LLVKDONJSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573521773 946614335 /nfs/dbraw/zinc/61/43/35/946614335.db2.gz FUSGYHBEVPLRCK-LLVKDONJSA-N -1 3 389.435 0.863 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC001571317761 946621370 /nfs/dbraw/zinc/62/13/70/946621370.db2.gz UPQAIQHJNYUJQK-IACUBPJLSA-N -1 3 392.485 0.813 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC001571317761 946621375 /nfs/dbraw/zinc/62/13/75/946621375.db2.gz UPQAIQHJNYUJQK-IACUBPJLSA-N -1 3 392.485 0.813 20 0 GCADHM CC(C)[C@@H]1C[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571317771 946621578 /nfs/dbraw/zinc/62/15/78/946621578.db2.gz VEBXZSKJYYRSQR-WHOFXGATSA-N -1 3 392.485 0.942 20 0 GCADHM CC(C)[C@@H]1C[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571317771 946621581 /nfs/dbraw/zinc/62/15/81/946621581.db2.gz VEBXZSKJYYRSQR-WHOFXGATSA-N -1 3 392.485 0.942 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573522137 946622416 /nfs/dbraw/zinc/62/24/16/946622416.db2.gz BGVCRDFGYYSVIE-IAQYHMDHSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573522137 946622425 /nfs/dbraw/zinc/62/24/25/946622425.db2.gz BGVCRDFGYYSVIE-IAQYHMDHSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573522129 946622782 /nfs/dbraw/zinc/62/27/82/946622782.db2.gz BDFYZTIPUVYRHO-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573522129 946622786 /nfs/dbraw/zinc/62/27/86/946622786.db2.gz BDFYZTIPUVYRHO-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCOC1 ZINC001571317947 946624774 /nfs/dbraw/zinc/62/47/74/946624774.db2.gz ZTUSNWMUKZZNEI-QWHCGFSZSA-N -1 3 392.485 0.672 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573522251 946625579 /nfs/dbraw/zinc/62/55/79/946625579.db2.gz CUMMUUDYXGQDHR-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573522251 946625583 /nfs/dbraw/zinc/62/55/83/946625583.db2.gz CUMMUUDYXGQDHR-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573522748 946630230 /nfs/dbraw/zinc/63/02/30/946630230.db2.gz JNJSKCHCERYPPX-SMDDNHRTSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573522748 946630236 /nfs/dbraw/zinc/63/02/36/946630236.db2.gz JNJSKCHCERYPPX-SMDDNHRTSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573522858 946630267 /nfs/dbraw/zinc/63/02/67/946630267.db2.gz LJVLFISIDFSILL-CYBMUJFWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573522858 946630275 /nfs/dbraw/zinc/63/02/75/946630275.db2.gz LJVLFISIDFSILL-CYBMUJFWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573523421 946634186 /nfs/dbraw/zinc/63/41/86/946634186.db2.gz RAEJBHPYVRGLJT-ZDUSSCGKSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573523421 946634193 /nfs/dbraw/zinc/63/41/93/946634193.db2.gz RAEJBHPYVRGLJT-ZDUSSCGKSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573523690 946637056 /nfs/dbraw/zinc/63/70/56/946637056.db2.gz VJCQOOMLLCBHAJ-CQSZACIVSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573523690 946637061 /nfs/dbraw/zinc/63/70/61/946637061.db2.gz VJCQOOMLLCBHAJ-CQSZACIVSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573523852 946638574 /nfs/dbraw/zinc/63/85/74/946638574.db2.gz XOCGAEADFMZHTE-ZDUSSCGKSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573523852 946638580 /nfs/dbraw/zinc/63/85/80/946638580.db2.gz XOCGAEADFMZHTE-ZDUSSCGKSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573523850 946638800 /nfs/dbraw/zinc/63/88/00/946638800.db2.gz XOCGAEADFMZHTE-CYBMUJFWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573523850 946638808 /nfs/dbraw/zinc/63/88/08/946638808.db2.gz XOCGAEADFMZHTE-CYBMUJFWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573524094 946640889 /nfs/dbraw/zinc/64/08/89/946640889.db2.gz ZGXUAZWHBWVQLW-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573524094 946640894 /nfs/dbraw/zinc/64/08/94/946640894.db2.gz ZGXUAZWHBWVQLW-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573527715 946645327 /nfs/dbraw/zinc/64/53/27/946645327.db2.gz FQPRCBKKMNRHBB-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573527715 946645332 /nfs/dbraw/zinc/64/53/32/946645332.db2.gz FQPRCBKKMNRHBB-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(=O)N1CCOCC1 ZINC000824293626 946645965 /nfs/dbraw/zinc/64/59/65/946645965.db2.gz URFUKJLDXGBGRJ-UHFFFAOYSA-N -1 3 387.444 0.646 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)N1CCOCC1 ZINC000824293626 946645972 /nfs/dbraw/zinc/64/59/72/946645972.db2.gz URFUKJLDXGBGRJ-UHFFFAOYSA-N -1 3 387.444 0.646 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573527805 946648802 /nfs/dbraw/zinc/64/88/02/946648802.db2.gz IKKSQCXOWHNUKI-CYBMUJFWSA-N -1 3 386.460 0.367 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573527805 946648806 /nfs/dbraw/zinc/64/88/06/946648806.db2.gz IKKSQCXOWHNUKI-CYBMUJFWSA-N -1 3 386.460 0.367 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573527816 946649079 /nfs/dbraw/zinc/64/90/79/946649079.db2.gz IOWNWIIAASKKLY-NSHDSACASA-N -1 3 388.476 0.897 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573527816 946649082 /nfs/dbraw/zinc/64/90/82/946649082.db2.gz IOWNWIIAASKKLY-NSHDSACASA-N -1 3 388.476 0.897 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC/C=C/CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573527904 946650150 /nfs/dbraw/zinc/65/01/50/946650150.db2.gz LNCDQSHMDKKKBQ-AATRIKPKSA-N -1 3 386.460 0.817 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC/C=C/CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573527904 946650159 /nfs/dbraw/zinc/65/01/59/946650159.db2.gz LNCDQSHMDKKKBQ-AATRIKPKSA-N -1 3 386.460 0.817 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573527887 946651021 /nfs/dbraw/zinc/65/10/21/946651021.db2.gz KZRWHQCNHAJXNO-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573527887 946651024 /nfs/dbraw/zinc/65/10/24/946651024.db2.gz KZRWHQCNHAJXNO-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573527935 946651248 /nfs/dbraw/zinc/65/12/48/946651248.db2.gz MDPCXRXODSTGJC-CYBMUJFWSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573527935 946651252 /nfs/dbraw/zinc/65/12/52/946651252.db2.gz MDPCXRXODSTGJC-CYBMUJFWSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573528078 946655407 /nfs/dbraw/zinc/65/54/07/946655407.db2.gz SRXHEMLKKJUVMK-SNVBAGLBSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573528078 946655412 /nfs/dbraw/zinc/65/54/12/946655412.db2.gz SRXHEMLKKJUVMK-SNVBAGLBSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573528176 946656503 /nfs/dbraw/zinc/65/65/03/946656503.db2.gz XCQFRSAKIZVMBT-AWEZNQCLSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573528176 946656510 /nfs/dbraw/zinc/65/65/10/946656510.db2.gz XCQFRSAKIZVMBT-AWEZNQCLSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573528228 946659070 /nfs/dbraw/zinc/65/90/70/946659070.db2.gz ZGIMXQQXHSZAHZ-SNVBAGLBSA-N -1 3 392.439 0.727 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573528228 946659084 /nfs/dbraw/zinc/65/90/84/946659084.db2.gz ZGIMXQQXHSZAHZ-SNVBAGLBSA-N -1 3 392.439 0.727 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001573528196 946659592 /nfs/dbraw/zinc/65/95/92/946659592.db2.gz YCEXXFFLHGBYBP-RISCZKNCSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001573528196 946659599 /nfs/dbraw/zinc/65/95/99/946659599.db2.gz YCEXXFFLHGBYBP-RISCZKNCSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824440252 946708306 /nfs/dbraw/zinc/70/83/06/946708306.db2.gz BMXKBHKLFPWDIR-QMMMGPOBSA-N -1 3 390.791 0.141 20 0 GCADHM CC(=O)NCc1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573533759 946720073 /nfs/dbraw/zinc/72/00/73/946720073.db2.gz YSQLPWSRUMZXMA-KRWDZBQOSA-N -1 3 380.408 0.853 20 0 GCADHM CC(=O)NCc1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573533759 946720079 /nfs/dbraw/zinc/72/00/79/946720079.db2.gz YSQLPWSRUMZXMA-KRWDZBQOSA-N -1 3 380.408 0.853 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573535271 946720329 /nfs/dbraw/zinc/72/03/29/946720329.db2.gz AISHXWRIZYENDO-GDBMZVCRSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573535271 946720333 /nfs/dbraw/zinc/72/03/33/946720333.db2.gz AISHXWRIZYENDO-GDBMZVCRSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573535790 946725698 /nfs/dbraw/zinc/72/56/98/946725698.db2.gz JDPAIBZBIXEZBD-BDJLRTHQSA-N -1 3 388.476 0.895 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573535790 946725707 /nfs/dbraw/zinc/72/57/07/946725707.db2.gz JDPAIBZBIXEZBD-BDJLRTHQSA-N -1 3 388.476 0.895 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573536117 946730048 /nfs/dbraw/zinc/73/00/48/946730048.db2.gz PJWPOYRQHAEMMB-QPUJVOFHSA-N -1 3 380.478 0.709 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536325 946732137 /nfs/dbraw/zinc/73/21/37/946732137.db2.gz SQYGCECUTSYIOQ-NOZJJQNGSA-N -1 3 378.412 0.478 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536325 946732139 /nfs/dbraw/zinc/73/21/39/946732139.db2.gz SQYGCECUTSYIOQ-NOZJJQNGSA-N -1 3 378.412 0.478 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536598 946737487 /nfs/dbraw/zinc/73/74/87/946737487.db2.gz YMEGRKHJCFCUJJ-QMTHXVAHSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536598 946737497 /nfs/dbraw/zinc/73/74/97/946737497.db2.gz YMEGRKHJCFCUJJ-QMTHXVAHSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824490892 946737662 /nfs/dbraw/zinc/73/76/62/946737662.db2.gz QVHCLXXUJNWSHO-NWDGAFQWSA-N -1 3 393.473 0.603 20 0 GCADHM C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824490892 946737669 /nfs/dbraw/zinc/73/76/69/946737669.db2.gz QVHCLXXUJNWSHO-NWDGAFQWSA-N -1 3 393.473 0.603 20 0 GCADHM C[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824490445 946737726 /nfs/dbraw/zinc/73/77/26/946737726.db2.gz PNFVLGUXKKZKIY-RYUDHWBXSA-N -1 3 393.473 0.603 20 0 GCADHM C[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824490445 946737729 /nfs/dbraw/zinc/73/77/29/946737729.db2.gz PNFVLGUXKKZKIY-RYUDHWBXSA-N -1 3 393.473 0.603 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(c2snc(C)c2-c2nnn[n-]2)CC1)C(C)C ZINC001573537347 946744266 /nfs/dbraw/zinc/74/42/66/946744266.db2.gz KRQLECIPPMMGHX-CYBMUJFWSA-N -1 3 392.489 0.441 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1)C(C)C ZINC001573537131 946745395 /nfs/dbraw/zinc/74/53/95/946745395.db2.gz ILMPVNVJLOULOV-XJKSGUPXSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1)C(C)C ZINC001573537131 946745401 /nfs/dbraw/zinc/74/54/01/946745401.db2.gz ILMPVNVJLOULOV-XJKSGUPXSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573537420 946747668 /nfs/dbraw/zinc/74/76/68/946747668.db2.gz AHQKLATZOFXYNA-YGRLFVJLSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573537420 946747677 /nfs/dbraw/zinc/74/76/77/946747677.db2.gz AHQKLATZOFXYNA-YGRLFVJLSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573537570 946751714 /nfs/dbraw/zinc/75/17/14/946751714.db2.gz PBFUGUNVBZARFJ-LDZOIKDWSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573537570 946751720 /nfs/dbraw/zinc/75/17/20/946751720.db2.gz PBFUGUNVBZARFJ-LDZOIKDWSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573537670 946756380 /nfs/dbraw/zinc/75/63/80/946756380.db2.gz IWOZMRMRSVSEDX-HNNXBMFYSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573537670 946756387 /nfs/dbraw/zinc/75/63/87/946756387.db2.gz IWOZMRMRSVSEDX-HNNXBMFYSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573538271 946766009 /nfs/dbraw/zinc/76/60/09/946766009.db2.gz RTCWWADYZXJWNT-WFASDCNBSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573538271 946766020 /nfs/dbraw/zinc/76/60/20/946766020.db2.gz RTCWWADYZXJWNT-WFASDCNBSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573538578 946770136 /nfs/dbraw/zinc/77/01/36/946770136.db2.gz YDJOMZMWUDTVNU-ZFWWWQNUSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573538578 946770145 /nfs/dbraw/zinc/77/01/45/946770145.db2.gz YDJOMZMWUDTVNU-ZFWWWQNUSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC(Nc2ncccc2-c2nnn[n-]2)CC1)C(C)C ZINC001573538566 946770630 /nfs/dbraw/zinc/77/06/30/946770630.db2.gz XJWYSAUZAWOAOY-OAHLLOKOSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC(Nc2ncccc2-c2nn[n-]n2)CC1)C(C)C ZINC001573538566 946770642 /nfs/dbraw/zinc/77/06/42/946770642.db2.gz XJWYSAUZAWOAOY-OAHLLOKOSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573538540 946770856 /nfs/dbraw/zinc/77/08/56/946770856.db2.gz WHVKZROKOWNJOD-APHBUQMISA-N -1 3 386.460 0.897 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573538540 946770873 /nfs/dbraw/zinc/77/08/73/946770873.db2.gz WHVKZROKOWNJOD-APHBUQMISA-N -1 3 386.460 0.897 20 0 GCADHM CC(=O)N[C@H](C(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573540357 946773999 /nfs/dbraw/zinc/77/39/99/946773999.db2.gz AGEQKHRHNCRTMM-MRXNPFEDSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@H](C(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573540357 946774013 /nfs/dbraw/zinc/77/40/13/946774013.db2.gz AGEQKHRHNCRTMM-MRXNPFEDSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@H](C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573540370 946775243 /nfs/dbraw/zinc/77/52/43/946775243.db2.gz AZKNYBAFDHHPTI-MRXNPFEDSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@H](C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573540370 946775251 /nfs/dbraw/zinc/77/52/51/946775251.db2.gz AZKNYBAFDHHPTI-MRXNPFEDSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573540560 946778092 /nfs/dbraw/zinc/77/80/92/946778092.db2.gz GBEDMAQTLFTZCP-DZGCQCFKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573540560 946778097 /nfs/dbraw/zinc/77/80/97/946778097.db2.gz GBEDMAQTLFTZCP-DZGCQCFKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H](C)CN(C)c1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001573540617 946778135 /nfs/dbraw/zinc/77/81/35/946778135.db2.gz IDGGGPKJOXWBIY-BXUZGUMPSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H](C)CN(C)c1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001573540617 946778141 /nfs/dbraw/zinc/77/81/41/946778141.db2.gz IDGGGPKJOXWBIY-BXUZGUMPSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573540461 946778442 /nfs/dbraw/zinc/77/84/42/946778442.db2.gz FFPCHZYENOIPEL-SWLSCSKDSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573540461 946778450 /nfs/dbraw/zinc/77/84/50/946778450.db2.gz FFPCHZYENOIPEL-SWLSCSKDSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573540621 946778932 /nfs/dbraw/zinc/77/89/32/946778932.db2.gz IFLFEVVJEUIUIP-DZGCQCFKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573540621 946778935 /nfs/dbraw/zinc/77/89/35/946778935.db2.gz IFLFEVVJEUIUIP-DZGCQCFKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541920 946789892 /nfs/dbraw/zinc/78/98/92/946789892.db2.gz YHKOVYLAZVQQGG-XHDPSFHLSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541920 946789896 /nfs/dbraw/zinc/78/98/96/946789896.db2.gz YHKOVYLAZVQQGG-XHDPSFHLSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573541916 946790013 /nfs/dbraw/zinc/79/00/13/946790013.db2.gz YDJOMZMWUDTVNU-UKRRQHHQSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573541916 946790025 /nfs/dbraw/zinc/79/00/25/946790025.db2.gz YDJOMZMWUDTVNU-UKRRQHHQSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001573541887 946790176 /nfs/dbraw/zinc/79/01/76/946790176.db2.gz WYZRSXGJGINGOS-NOZJJQNGSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001573541887 946790183 /nfs/dbraw/zinc/79/01/83/946790183.db2.gz WYZRSXGJGINGOS-NOZJJQNGSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541926 946790964 /nfs/dbraw/zinc/79/09/64/946790964.db2.gz YRAHDSMHBLLSTE-IAQYHMDHSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541926 946790967 /nfs/dbraw/zinc/79/09/67/946790967.db2.gz YRAHDSMHBLLSTE-IAQYHMDHSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573542237 946795067 /nfs/dbraw/zinc/79/50/67/946795067.db2.gz CIQZBRJHMVDWLS-RBSFLKMASA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573542237 946795071 /nfs/dbraw/zinc/79/50/71/946795071.db2.gz CIQZBRJHMVDWLS-RBSFLKMASA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)Nc1cccc(CN2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001573546475 946807987 /nfs/dbraw/zinc/80/79/87/946807987.db2.gz ACTYAAHUMNZICV-UHFFFAOYSA-N -1 3 380.412 0.767 20 0 GCADHM CC(=O)Nc1cccc(CN2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001573546475 946807995 /nfs/dbraw/zinc/80/79/95/946807995.db2.gz ACTYAAHUMNZICV-UHFFFAOYSA-N -1 3 380.412 0.767 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC001573547738 946837388 /nfs/dbraw/zinc/83/73/88/946837388.db2.gz SAMLTMULIHYFQK-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC001573547738 946837399 /nfs/dbraw/zinc/83/73/99/946837399.db2.gz SAMLTMULIHYFQK-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC001573547737 946838471 /nfs/dbraw/zinc/83/84/71/946838471.db2.gz SAMLTMULIHYFQK-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC001573547737 946838479 /nfs/dbraw/zinc/83/84/79/946838479.db2.gz SAMLTMULIHYFQK-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573548024 946844765 /nfs/dbraw/zinc/84/47/65/946844765.db2.gz BNZZPJYBHUJTQI-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573548024 946844778 /nfs/dbraw/zinc/84/47/78/946844778.db2.gz BNZZPJYBHUJTQI-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCCCO ZINC000824641602 946884543 /nfs/dbraw/zinc/88/45/43/946884543.db2.gz XINSQFKXSTTYPL-LBPRGKRZSA-N -1 3 396.473 0.202 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCCCO ZINC000824641602 946884551 /nfs/dbraw/zinc/88/45/51/946884551.db2.gz XINSQFKXSTTYPL-LBPRGKRZSA-N -1 3 396.473 0.202 20 0 GCADHM C[C@@H](O)C[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000824689321 946896092 /nfs/dbraw/zinc/89/60/92/946896092.db2.gz KQOQXMSCDOSZMP-HTQZYQBOSA-N -1 3 384.343 0.682 20 0 GCADHM C[C@@H](O)C[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000824689321 946896103 /nfs/dbraw/zinc/89/61/03/946896103.db2.gz KQOQXMSCDOSZMP-HTQZYQBOSA-N -1 3 384.343 0.682 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)C2)nn1 ZINC001573558702 946940095 /nfs/dbraw/zinc/94/00/95/946940095.db2.gz NOQYIUBKSJRERF-UHFFFAOYSA-N -1 3 392.376 0.046 20 0 GCADHM CC(=O)c1cn(CC(=O)N2CCC(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001573558703 946940686 /nfs/dbraw/zinc/94/06/86/946940686.db2.gz NPGMXOWDUATVBW-UHFFFAOYSA-N -1 3 381.400 0.462 20 0 GCADHM CC(=O)c1cn(CC(=O)N2CCC(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC001573558703 946940692 /nfs/dbraw/zinc/94/06/92/946940692.db2.gz NPGMXOWDUATVBW-UHFFFAOYSA-N -1 3 381.400 0.462 20 0 GCADHM C[C@@]1([C@H]2CCCN(c3nc4ccccn4c3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000824817454 946943057 /nfs/dbraw/zinc/94/30/57/946943057.db2.gz OIGYQZHSZPRJBS-BTDLBPIBSA-N -1 3 381.400 0.329 20 0 GCADHM C[C@@]1([C@H]2CCCN(c3nc4ccccn4c3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000824817454 946943061 /nfs/dbraw/zinc/94/30/61/946943061.db2.gz OIGYQZHSZPRJBS-BTDLBPIBSA-N -1 3 381.400 0.329 20 0 GCADHM CCC(CO)(CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825122083 947090150 /nfs/dbraw/zinc/09/01/50/947090150.db2.gz WWIPUQDTARUVFK-UHFFFAOYSA-N -1 3 390.379 0.446 20 0 GCADHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccc(S(N)(=O)=O)c1 ZINC000825133602 947091539 /nfs/dbraw/zinc/09/15/39/947091539.db2.gz OIJXRGKZPZOCPH-NSHDSACASA-N -1 3 375.414 0.723 20 0 GCADHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccc(S(N)(=O)=O)c1 ZINC000825133602 947091552 /nfs/dbraw/zinc/09/15/52/947091552.db2.gz OIJXRGKZPZOCPH-NSHDSACASA-N -1 3 375.414 0.723 20 0 GCADHM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccc(S(N)(=O)=O)c1 ZINC000825133601 947092349 /nfs/dbraw/zinc/09/23/49/947092349.db2.gz OIJXRGKZPZOCPH-LLVKDONJSA-N -1 3 375.414 0.723 20 0 GCADHM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccc(S(N)(=O)=O)c1 ZINC000825133601 947092361 /nfs/dbraw/zinc/09/23/61/947092361.db2.gz OIJXRGKZPZOCPH-LLVKDONJSA-N -1 3 375.414 0.723 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000825201136 947114525 /nfs/dbraw/zinc/11/45/25/947114525.db2.gz DTLJSIISYMGXDM-GXTWGEPZSA-N -1 3 375.433 0.275 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000825201136 947114530 /nfs/dbraw/zinc/11/45/30/947114530.db2.gz DTLJSIISYMGXDM-GXTWGEPZSA-N -1 3 375.433 0.275 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)NCc2ccccc2OC)c1-c1nnn[n-]1 ZINC000825565480 947224765 /nfs/dbraw/zinc/22/47/65/947224765.db2.gz SICOLRSPBDVOJX-UHFFFAOYSA-N -1 3 385.384 0.565 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)NCCc2ccccc2C)c1-c1nnn[n-]1 ZINC000825565152 947226124 /nfs/dbraw/zinc/22/61/24/947226124.db2.gz MREHTKURTIREQU-UHFFFAOYSA-N -1 3 383.412 0.907 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)Nc2cccc(C(=O)OC)c2)c1-c1nnn[n-]1 ZINC000825570071 947229058 /nfs/dbraw/zinc/22/90/58/947229058.db2.gz DZVSWELUZJQVIE-UHFFFAOYSA-N -1 3 399.367 0.665 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)Nc2cccc3nsnc32)c1-c1nnn[n-]1 ZINC000825571315 947236354 /nfs/dbraw/zinc/23/63/54/947236354.db2.gz XUWIWPKSGDPCKL-UHFFFAOYSA-N -1 3 399.396 0.883 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573585016 947244007 /nfs/dbraw/zinc/24/40/07/947244007.db2.gz BWOFHDCMEQILGE-ZDUSSCGKSA-N -1 3 388.476 0.598 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573585886 947271086 /nfs/dbraw/zinc/27/10/86/947271086.db2.gz JHMGDMKJKCVDAT-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573585886 947271097 /nfs/dbraw/zinc/27/10/97/947271097.db2.gz JHMGDMKJKCVDAT-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM CCOc1ncnc2c1CN(C(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000825659061 947280395 /nfs/dbraw/zinc/28/03/95/947280395.db2.gz NJAVWOISIFGHIW-HNNXBMFYSA-N -1 3 381.396 0.674 20 0 GCADHM CCOc1ncnc2c1CN(C(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825659061 947280401 /nfs/dbraw/zinc/28/04/01/947280401.db2.gz NJAVWOISIFGHIW-HNNXBMFYSA-N -1 3 381.396 0.674 20 0 GCADHM CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000825679739 947287229 /nfs/dbraw/zinc/28/72/29/947287229.db2.gz CONRMFJNNWINBF-GFCCVEGCSA-N -1 3 397.395 0.880 20 0 GCADHM CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000825679739 947287240 /nfs/dbraw/zinc/28/72/40/947287240.db2.gz CONRMFJNNWINBF-GFCCVEGCSA-N -1 3 397.395 0.880 20 0 GCADHM CC(C)N(C(=O)[C@H](C)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573587266 947303653 /nfs/dbraw/zinc/30/36/53/947303653.db2.gz YUGOUNLPJSAQGL-LBPRGKRZSA-N -1 3 388.476 0.643 20 0 GCADHM CC(C)N(C(=O)[C@H](C)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573587266 947303668 /nfs/dbraw/zinc/30/36/68/947303668.db2.gz YUGOUNLPJSAQGL-LBPRGKRZSA-N -1 3 388.476 0.643 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573591401 947311044 /nfs/dbraw/zinc/31/10/44/947311044.db2.gz BIAOAZXXLPYNNW-IUODEOHRSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573591401 947311058 /nfs/dbraw/zinc/31/10/58/947311058.db2.gz BIAOAZXXLPYNNW-IUODEOHRSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)c1ccco1 ZINC001573591830 947321083 /nfs/dbraw/zinc/32/10/83/947321083.db2.gz GHHDFVMMKRXLKK-OLZOCXBDSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)c1ccco1 ZINC001573591830 947321096 /nfs/dbraw/zinc/32/10/96/947321096.db2.gz GHHDFVMMKRXLKK-OLZOCXBDSA-N -1 3 385.428 0.914 20 0 GCADHM CCn1c(C)nnc1CS(=O)(=O)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825783018 947329975 /nfs/dbraw/zinc/32/99/75/947329975.db2.gz YZPAIHCMIZHXIC-UHFFFAOYSA-N -1 3 390.429 0.340 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573592319 947333022 /nfs/dbraw/zinc/33/30/22/947333022.db2.gz JDNNEPXFIKNSOU-LRDDRELGSA-N -1 3 383.456 0.424 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573592319 947333036 /nfs/dbraw/zinc/33/30/36/947333036.db2.gz JDNNEPXFIKNSOU-LRDDRELGSA-N -1 3 383.456 0.424 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)n(C)c1 ZINC000825826063 947341389 /nfs/dbraw/zinc/34/13/89/947341389.db2.gz URMYSIUKTNPXSR-UHFFFAOYSA-N -1 3 389.441 0.732 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)n(C)c1 ZINC000825826063 947341398 /nfs/dbraw/zinc/34/13/98/947341398.db2.gz URMYSIUKTNPXSR-UHFFFAOYSA-N -1 3 389.441 0.732 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)n(C)c1 ZINC000825875303 947351665 /nfs/dbraw/zinc/35/16/65/947351665.db2.gz JCHHUJCAJKKSPW-UHFFFAOYSA-N -1 3 376.402 0.103 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)n(C)c1 ZINC000825875303 947351680 /nfs/dbraw/zinc/35/16/80/947351680.db2.gz JCHHUJCAJKKSPW-UHFFFAOYSA-N -1 3 376.402 0.103 20 0 GCADHM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573593011 947360077 /nfs/dbraw/zinc/36/00/77/947360077.db2.gz PHYNRDWYGWICCT-GFCCVEGCSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573593011 947360089 /nfs/dbraw/zinc/36/00/89/947360089.db2.gz PHYNRDWYGWICCT-GFCCVEGCSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573593134 947362137 /nfs/dbraw/zinc/36/21/37/947362137.db2.gz IPHIBVSVHIRKQW-UNXYVOJBSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573593134 947362148 /nfs/dbraw/zinc/36/21/48/947362148.db2.gz IPHIBVSVHIRKQW-UNXYVOJBSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573593249 947366259 /nfs/dbraw/zinc/36/62/59/947366259.db2.gz IVNIQRDYGBQWAV-PNESKVBLSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573593249 947366269 /nfs/dbraw/zinc/36/62/69/947366269.db2.gz IVNIQRDYGBQWAV-PNESKVBLSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573593897 947380017 /nfs/dbraw/zinc/38/00/17/947380017.db2.gz MRLTVYPUATWVOO-IUODEOHRSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573594087 947384904 /nfs/dbraw/zinc/38/49/04/947384904.db2.gz XHQRFXBBIWQLBZ-JSGCOSHPSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573594087 947384919 /nfs/dbraw/zinc/38/49/19/947384919.db2.gz XHQRFXBBIWQLBZ-JSGCOSHPSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001573594331 947392256 /nfs/dbraw/zinc/39/22/56/947392256.db2.gz AEINDMWMEFNESO-GHMZBOCLSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001573594331 947392267 /nfs/dbraw/zinc/39/22/67/947392267.db2.gz AEINDMWMEFNESO-GHMZBOCLSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001573594334 947393342 /nfs/dbraw/zinc/39/33/42/947393342.db2.gz AEINDMWMEFNESO-MNOVXSKESA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001573594334 947393355 /nfs/dbraw/zinc/39/33/55/947393355.db2.gz AEINDMWMEFNESO-MNOVXSKESA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1cccnc1 ZINC001573594662 947402573 /nfs/dbraw/zinc/40/25/73/947402573.db2.gz CADQVBIRVQSHEQ-WFASDCNBSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC001573594662 947402581 /nfs/dbraw/zinc/40/25/81/947402581.db2.gz CADQVBIRVQSHEQ-WFASDCNBSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H]1CCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573594638 947403722 /nfs/dbraw/zinc/40/37/22/947403722.db2.gz BOJIOWHPFAAKIR-TZMCWYRMSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H]1CCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573594638 947403732 /nfs/dbraw/zinc/40/37/32/947403732.db2.gz BOJIOWHPFAAKIR-TZMCWYRMSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573594633 947403974 /nfs/dbraw/zinc/40/39/74/947403974.db2.gz BNFRZZSWPSYZOA-QWRGUYRKSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573594633 947403985 /nfs/dbraw/zinc/40/39/85/947403985.db2.gz BNFRZZSWPSYZOA-QWRGUYRKSA-N -1 3 377.449 0.426 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)C(=O)N(C)C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573594773 947405534 /nfs/dbraw/zinc/40/55/34/947405534.db2.gz SGCWJSLUCUSAAF-LBPRGKRZSA-N -1 3 376.465 0.454 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573594854 947408563 /nfs/dbraw/zinc/40/85/63/947408563.db2.gz DBRPEKWYLNKZNR-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573594854 947408572 /nfs/dbraw/zinc/40/85/72/947408572.db2.gz DBRPEKWYLNKZNR-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573594916 947410240 /nfs/dbraw/zinc/41/02/40/947410240.db2.gz DXXQLNOXCWCSET-WCBMZHEXSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573594916 947410244 /nfs/dbraw/zinc/41/02/44/947410244.db2.gz DXXQLNOXCWCSET-WCBMZHEXSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573594917 947410318 /nfs/dbraw/zinc/41/03/18/947410318.db2.gz DXXQLNOXCWCSET-WPRPVWTQSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573594917 947410323 /nfs/dbraw/zinc/41/03/23/947410323.db2.gz DXXQLNOXCWCSET-WPRPVWTQSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573594990 947413805 /nfs/dbraw/zinc/41/38/05/947413805.db2.gz VZEUODUUFFWZLU-GCVQQVDUSA-N -1 3 379.446 0.096 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573594990 947413808 /nfs/dbraw/zinc/41/38/08/947413808.db2.gz VZEUODUUFFWZLU-GCVQQVDUSA-N -1 3 379.446 0.096 20 0 GCADHM CN1CN(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1=O ZINC000826044933 947419066 /nfs/dbraw/zinc/41/90/66/947419066.db2.gz NBDLFUWZTHHVJQ-UHFFFAOYSA-N -1 3 375.458 0.867 20 0 GCADHM CN1CN(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1=O ZINC000826044933 947419073 /nfs/dbraw/zinc/41/90/73/947419073.db2.gz NBDLFUWZTHHVJQ-UHFFFAOYSA-N -1 3 375.458 0.867 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)C(=O)N(C)C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573595334 947420527 /nfs/dbraw/zinc/42/05/27/947420527.db2.gz YCOXQKJXZJQUDB-GFCCVEGCSA-N -1 3 376.465 0.454 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)C(=O)N(C)C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573595334 947420533 /nfs/dbraw/zinc/42/05/33/947420533.db2.gz YCOXQKJXZJQUDB-GFCCVEGCSA-N -1 3 376.465 0.454 20 0 GCADHM CNC(=O)NCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826067520 947421579 /nfs/dbraw/zinc/42/15/79/947421579.db2.gz HVCFJCJQCRUOMQ-UHFFFAOYSA-N -1 3 375.780 0.573 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573596831 947432067 /nfs/dbraw/zinc/43/20/67/947432067.db2.gz LKXMCQKWVRDKPS-AAEUAGOBSA-N -1 3 385.432 0.030 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573596831 947432075 /nfs/dbraw/zinc/43/20/75/947432075.db2.gz LKXMCQKWVRDKPS-AAEUAGOBSA-N -1 3 385.432 0.030 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)cn1)[C@H]1CCC(=O)N1 ZINC001573598423 947441605 /nfs/dbraw/zinc/44/16/05/947441605.db2.gz QTRCAEHONXVYCI-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)cn1)[C@H]1CCC(=O)N1 ZINC001573598423 947441612 /nfs/dbraw/zinc/44/16/12/947441612.db2.gz QTRCAEHONXVYCI-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM COC(=O)C1(O)CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000826129532 947444113 /nfs/dbraw/zinc/44/41/13/947444113.db2.gz UNWXSTZKVYYFBF-UHFFFAOYSA-N -1 3 385.384 0.417 20 0 GCADHM COC(=O)C1(O)CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000826129532 947444127 /nfs/dbraw/zinc/44/41/27/947444127.db2.gz UNWXSTZKVYYFBF-UHFFFAOYSA-N -1 3 385.384 0.417 20 0 GCADHM COC(=O)C1(O)CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000826129581 947444775 /nfs/dbraw/zinc/44/47/75/947444775.db2.gz VWFAXSJHOKHDGW-NSHDSACASA-N -1 3 392.441 0.033 20 0 GCADHM COC(=O)C1(O)CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000826129581 947444782 /nfs/dbraw/zinc/44/47/82/947444782.db2.gz VWFAXSJHOKHDGW-NSHDSACASA-N -1 3 392.441 0.033 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)(F)F ZINC001573598975 947448129 /nfs/dbraw/zinc/44/81/29/947448129.db2.gz SSPATMYXUXZLTP-WPRPVWTQSA-N -1 3 387.366 0.923 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)(F)F ZINC001573598975 947448134 /nfs/dbraw/zinc/44/81/34/947448134.db2.gz SSPATMYXUXZLTP-WPRPVWTQSA-N -1 3 387.366 0.923 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573602101 947465935 /nfs/dbraw/zinc/46/59/35/947465935.db2.gz CHUUTADSZSCULE-GFCCVEGCSA-N -1 3 380.474 0.190 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001573602203 947468081 /nfs/dbraw/zinc/46/80/81/947468081.db2.gz DKAXVIXBRDTLAD-SNVBAGLBSA-N -1 3 386.503 0.252 20 0 GCADHM COCC(=O)N1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826147978 947473908 /nfs/dbraw/zinc/47/39/08/947473908.db2.gz UBMALNPNRZYESW-INIZCTEOSA-N -1 3 399.455 0.153 20 0 GCADHM COCC(=O)N1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826147978 947473915 /nfs/dbraw/zinc/47/39/15/947473915.db2.gz UBMALNPNRZYESW-INIZCTEOSA-N -1 3 399.455 0.153 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCOCC1 ZINC001573603017 947477640 /nfs/dbraw/zinc/47/76/40/947477640.db2.gz IWLWPGROZZTONJ-LBPRGKRZSA-N -1 3 389.460 0.788 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCOCC1 ZINC001573603017 947477644 /nfs/dbraw/zinc/47/76/44/947477644.db2.gz IWLWPGROZZTONJ-LBPRGKRZSA-N -1 3 389.460 0.788 20 0 GCADHM COC[C@](C)(O)C(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826148523 947477616 /nfs/dbraw/zinc/47/76/16/947477616.db2.gz KOXXAAYFJLMCRC-GUYCJALGSA-N -1 3 375.385 0.303 20 0 GCADHM COC[C@](C)(O)C(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826148523 947477623 /nfs/dbraw/zinc/47/76/23/947477623.db2.gz KOXXAAYFJLMCRC-GUYCJALGSA-N -1 3 375.385 0.303 20 0 GCADHM COCC[C@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)C(N)=O ZINC000826154395 947485629 /nfs/dbraw/zinc/48/56/29/947485629.db2.gz OJRNTVHPFAGRTL-LBPRGKRZSA-N -1 3 377.405 0.666 20 0 GCADHM COCC[C@H](NC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)C(N)=O ZINC000826154395 947485634 /nfs/dbraw/zinc/48/56/34/947485634.db2.gz OJRNTVHPFAGRTL-LBPRGKRZSA-N -1 3 377.405 0.666 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)[C@@H]1CCCO1 ZINC001573603409 947487701 /nfs/dbraw/zinc/48/77/01/947487701.db2.gz GIQJLNVIIVDTCR-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)[C@@H]1CCCO1 ZINC001573603409 947487706 /nfs/dbraw/zinc/48/77/06/947487706.db2.gz GIQJLNVIIVDTCR-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1cccc(F)c1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573603533 947489378 /nfs/dbraw/zinc/48/93/78/947489378.db2.gz MQSGADAZOMCVRQ-DGCLKSJQSA-N -1 3 389.435 0.815 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1cccc(F)c1-c1nn[n-]n1)[C@H]1CCC(=O)N1 ZINC001573603533 947489389 /nfs/dbraw/zinc/48/93/89/947489389.db2.gz MQSGADAZOMCVRQ-DGCLKSJQSA-N -1 3 389.435 0.815 20 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COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826160186 947503681 /nfs/dbraw/zinc/50/36/81/947503681.db2.gz IICJARNPTMEWTE-HNNXBMFYSA-N -1 3 383.412 0.299 20 0 GCADHM COCCN(Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)C(N)=O ZINC000826159654 947503741 /nfs/dbraw/zinc/50/37/41/947503741.db2.gz MVNGPUGNSJJELE-LBPRGKRZSA-N -1 3 384.444 0.589 20 0 GCADHM COCCN(Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)C(N)=O ZINC000826159654 947503755 /nfs/dbraw/zinc/50/37/55/947503755.db2.gz MVNGPUGNSJJELE-LBPRGKRZSA-N -1 3 384.444 0.589 20 0 GCADHM COCCNC(=O)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826159686 947504134 /nfs/dbraw/zinc/50/41/34/947504134.db2.gz OHOWVMFLYXZVMY-UHFFFAOYSA-N -1 3 390.791 0.407 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCC(=O)N1 ZINC001573604384 947507000 /nfs/dbraw/zinc/50/70/00/947507000.db2.gz SUPOOGXSGBZDMT-WCQYABFASA-N -1 3 391.501 0.733 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001573604370 947508127 /nfs/dbraw/zinc/50/81/27/947508127.db2.gz SQRHIXZPSJWVBN-NSHDSACASA-N -1 3 385.432 0.262 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001573604370 947508133 /nfs/dbraw/zinc/50/81/33/947508133.db2.gz SQRHIXZPSJWVBN-NSHDSACASA-N -1 3 385.432 0.262 20 0 GCADHM C[C@@H](C(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573604577 947513827 /nfs/dbraw/zinc/51/38/27/947513827.db2.gz PHEWBYUAYSGGFF-PWSUYJOCSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](C(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573604577 947513841 /nfs/dbraw/zinc/51/38/41/947513841.db2.gz PHEWBYUAYSGGFF-PWSUYJOCSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573606907 947534978 /nfs/dbraw/zinc/53/49/78/947534978.db2.gz AMEDCZLJLLHHSJ-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573606907 947534989 /nfs/dbraw/zinc/53/49/89/947534989.db2.gz AMEDCZLJLLHHSJ-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000826171510 947535957 /nfs/dbraw/zinc/53/59/57/947535957.db2.gz PKMCDUZOYKPXCY-CYBMUJFWSA-N -1 3 395.441 0.733 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000826171510 947535959 /nfs/dbraw/zinc/53/59/59/947535959.db2.gz PKMCDUZOYKPXCY-CYBMUJFWSA-N -1 3 395.441 0.733 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCn1nnc2ccccc2c1=O ZINC000826174125 947539130 /nfs/dbraw/zinc/53/91/30/947539130.db2.gz JHQOIWYMQBCXBN-UHFFFAOYSA-N -1 3 393.363 0.976 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCn1nnc2ccccc2c1=O ZINC000826174125 947539138 /nfs/dbraw/zinc/53/91/38/947539138.db2.gz JHQOIWYMQBCXBN-UHFFFAOYSA-N -1 3 393.363 0.976 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573607591 947548958 /nfs/dbraw/zinc/54/89/58/947548958.db2.gz OYWXIOSZIDXQBX-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573607591 947548965 /nfs/dbraw/zinc/54/89/65/947548965.db2.gz OYWXIOSZIDXQBX-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573607800 947553122 /nfs/dbraw/zinc/55/31/22/947553122.db2.gz RLLUNLAEMFPRJB-NSHDSACASA-N -1 3 389.395 0.091 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573607800 947553132 /nfs/dbraw/zinc/55/31/32/947553132.db2.gz RLLUNLAEMFPRJB-NSHDSACASA-N -1 3 389.395 0.091 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001573608408 947560980 /nfs/dbraw/zinc/56/09/80/947560980.db2.gz ZNYWAFWAPGTLGE-GXTWGEPZSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001573608408 947560981 /nfs/dbraw/zinc/56/09/81/947560981.db2.gz ZNYWAFWAPGTLGE-GXTWGEPZSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2)C1CC1 ZINC001573613492 947562924 /nfs/dbraw/zinc/56/29/24/947562924.db2.gz BGPDRJSPYWKFMX-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2)C1CC1 ZINC001573613492 947562927 /nfs/dbraw/zinc/56/29/27/947562927.db2.gz BGPDRJSPYWKFMX-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573613520 947564708 /nfs/dbraw/zinc/56/47/08/947564708.db2.gz BOGRJYAJOZAUKG-BNOWGMLFSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573613520 947564713 /nfs/dbraw/zinc/56/47/13/947564713.db2.gz BOGRJYAJOZAUKG-BNOWGMLFSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1)n1cncn1 ZINC001573613849 947573290 /nfs/dbraw/zinc/57/32/90/947573290.db2.gz JPJMKLGRTXCNBN-WCQYABFASA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1)n1cncn1 ZINC001573613849 947573299 /nfs/dbraw/zinc/57/32/99/947573299.db2.gz JPJMKLGRTXCNBN-WCQYABFASA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573614231 947579990 /nfs/dbraw/zinc/57/99/90/947579990.db2.gz DJRPEJGWKRBDSX-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573614231 947580002 /nfs/dbraw/zinc/58/00/02/947580002.db2.gz DJRPEJGWKRBDSX-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573614808 947593012 /nfs/dbraw/zinc/59/30/12/947593012.db2.gz HMSHIOZFUHEKHQ-KZULUSFZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573614808 947593023 /nfs/dbraw/zinc/59/30/23/947593023.db2.gz HMSHIOZFUHEKHQ-KZULUSFZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573614947 947595090 /nfs/dbraw/zinc/59/50/90/947595090.db2.gz BYURFCNXJCLNJN-GWCFXTLKSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573614947 947595094 /nfs/dbraw/zinc/59/50/94/947595094.db2.gz BYURFCNXJCLNJN-GWCFXTLKSA-N -1 3 381.400 0.119 20 0 GCADHM COc1ccc(CNC(=O)N2CCC3(COC(=O)N3)CC2)cc1-c1nnn[n-]1 ZINC000826197917 947596267 /nfs/dbraw/zinc/59/62/67/947596267.db2.gz GYUWOUDPVHYKMB-UHFFFAOYSA-N -1 3 387.400 0.659 20 0 GCADHM COc1ccc(CNC(=O)N2CCC3(COC(=O)N3)CC2)cc1-c1nn[n-]n1 ZINC000826197917 947596271 /nfs/dbraw/zinc/59/62/71/947596271.db2.gz GYUWOUDPVHYKMB-UHFFFAOYSA-N -1 3 387.400 0.659 20 0 GCADHM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1)n1cncn1 ZINC001573615758 947610961 /nfs/dbraw/zinc/61/09/61/947610961.db2.gz KIOWLPDBUNVPLT-GFCCVEGCSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nc2)CC1)n1cncn1 ZINC001573615758 947610967 /nfs/dbraw/zinc/61/09/67/947610967.db2.gz KIOWLPDBUNVPLT-GFCCVEGCSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2)C1CC1 ZINC001573616012 947615276 /nfs/dbraw/zinc/61/52/76/947615276.db2.gz URLGKZIDMXFWEI-ZWNOBZJWSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2)C1CC1 ZINC001573616012 947615283 /nfs/dbraw/zinc/61/52/83/947615283.db2.gz URLGKZIDMXFWEI-ZWNOBZJWSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573617036 947631190 /nfs/dbraw/zinc/63/11/90/947631190.db2.gz KWOZDOZUADBRAI-JQWIXIFHSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573617036 947631195 /nfs/dbraw/zinc/63/11/95/947631195.db2.gz KWOZDOZUADBRAI-JQWIXIFHSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573617932 947642753 /nfs/dbraw/zinc/64/27/53/947642753.db2.gz RBGJROHWHXUODN-BDAKNGLRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573617932 947642762 /nfs/dbraw/zinc/64/27/62/947642762.db2.gz RBGJROHWHXUODN-BDAKNGLRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573617983 947645385 /nfs/dbraw/zinc/64/53/85/947645385.db2.gz OCDFGOPKPGLHQK-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573617983 947645391 /nfs/dbraw/zinc/64/53/91/947645391.db2.gz OCDFGOPKPGLHQK-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573618292 947648295 /nfs/dbraw/zinc/64/82/95/947648295.db2.gz QFOHTJSIHSVMBU-ZWNOBZJWSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573618292 947648296 /nfs/dbraw/zinc/64/82/96/947648296.db2.gz QFOHTJSIHSVMBU-ZWNOBZJWSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573618896 947657588 /nfs/dbraw/zinc/65/75/88/947657588.db2.gz SQINUMMDUFMJQZ-PIGZYNQJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573618896 947657605 /nfs/dbraw/zinc/65/76/05/947657605.db2.gz SQINUMMDUFMJQZ-PIGZYNQJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573619520 947664644 /nfs/dbraw/zinc/66/46/44/947664644.db2.gz VNSCOUYUOLBZIW-SWLSCSKDSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573619521 947665177 /nfs/dbraw/zinc/66/51/77/947665177.db2.gz VNSCOUYUOLBZIW-WFASDCNBSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573619343 947665227 /nfs/dbraw/zinc/66/52/27/947665227.db2.gz VGSKYQRWTNMBBW-LBPRGKRZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573619343 947665232 /nfs/dbraw/zinc/66/52/32/947665232.db2.gz VGSKYQRWTNMBBW-LBPRGKRZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCCO1 ZINC001573619597 947667780 /nfs/dbraw/zinc/66/77/80/947667780.db2.gz VYKDDTLQZWSEBN-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCCO1 ZINC001573619597 947667783 /nfs/dbraw/zinc/66/77/83/947667783.db2.gz VYKDDTLQZWSEBN-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573620354 947678601 /nfs/dbraw/zinc/67/86/01/947678601.db2.gz ZSFSANHYNBYZFB-STQMWFEESA-N -1 3 382.432 0.399 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573620354 947678606 /nfs/dbraw/zinc/67/86/06/947678606.db2.gz ZSFSANHYNBYZFB-STQMWFEESA-N -1 3 382.432 0.399 20 0 GCADHM C[C@H]1CN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CCN1S(C)(=O)=O ZINC000826232415 947679866 /nfs/dbraw/zinc/67/98/66/947679866.db2.gz KFKARKCKMLAGCT-LBPRGKRZSA-N -1 3 378.458 0.292 20 0 GCADHM C[C@H]1CN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CCN1S(C)(=O)=O ZINC000826232415 947679872 /nfs/dbraw/zinc/67/98/72/947679872.db2.gz KFKARKCKMLAGCT-LBPRGKRZSA-N -1 3 378.458 0.292 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573622577 947680527 /nfs/dbraw/zinc/68/05/27/947680527.db2.gz BBXVZFITYPCRPS-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573622577 947680534 /nfs/dbraw/zinc/68/05/34/947680534.db2.gz BBXVZFITYPCRPS-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573622472 947681821 /nfs/dbraw/zinc/68/18/21/947681821.db2.gz ACDPRRQRKRINKE-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573622472 947681828 /nfs/dbraw/zinc/68/18/28/947681828.db2.gz ACDPRRQRKRINKE-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C/C(=C\C(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573359261 947682873 /nfs/dbraw/zinc/68/28/73/947682873.db2.gz XONXYWLDQSKPEX-MUAYPFOZSA-N -1 3 387.444 0.442 20 0 GCADHM C/C(=C\C(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573359261 947682880 /nfs/dbraw/zinc/68/28/80/947682880.db2.gz XONXYWLDQSKPEX-MUAYPFOZSA-N -1 3 387.444 0.442 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573623158 947686286 /nfs/dbraw/zinc/68/62/86/947686286.db2.gz DGDWJWCERCYJKU-SMDDNHRTSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573623158 947686292 /nfs/dbraw/zinc/68/62/92/947686292.db2.gz DGDWJWCERCYJKU-SMDDNHRTSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573623479 947687653 /nfs/dbraw/zinc/68/76/53/947687653.db2.gz GEWUYSGIOQXCJN-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573623479 947687662 /nfs/dbraw/zinc/68/76/62/947687662.db2.gz GEWUYSGIOQXCJN-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573623473 947688487 /nfs/dbraw/zinc/68/84/87/947688487.db2.gz GEWUYSGIOQXCJN-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573623473 947688491 /nfs/dbraw/zinc/68/84/91/947688491.db2.gz GEWUYSGIOQXCJN-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573624792 947696337 /nfs/dbraw/zinc/69/63/37/947696337.db2.gz LWYKOYINAZYRBB-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573624792 947696348 /nfs/dbraw/zinc/69/63/48/947696348.db2.gz LWYKOYINAZYRBB-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573624794 947696844 /nfs/dbraw/zinc/69/68/44/947696844.db2.gz LWYKOYINAZYRBB-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573624794 947696854 /nfs/dbraw/zinc/69/68/54/947696854.db2.gz LWYKOYINAZYRBB-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573626638 947714801 /nfs/dbraw/zinc/71/48/01/947714801.db2.gz WVGWUSGVMWMCJN-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573626638 947714809 /nfs/dbraw/zinc/71/48/09/947714809.db2.gz WVGWUSGVMWMCJN-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccnn1C ZINC001573627078 947717728 /nfs/dbraw/zinc/71/77/28/947717728.db2.gz YLNVUQWAWXHVKX-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccnn1C ZINC001573627078 947717736 /nfs/dbraw/zinc/71/77/36/947717736.db2.gz YLNVUQWAWXHVKX-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573627687 947731451 /nfs/dbraw/zinc/73/14/51/947731451.db2.gz DVJFOIBLZCGMQR-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573627687 947731465 /nfs/dbraw/zinc/73/14/65/947731465.db2.gz DVJFOIBLZCGMQR-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573627684 947732552 /nfs/dbraw/zinc/73/25/52/947732552.db2.gz DVJFOIBLZCGMQR-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573627684 947732569 /nfs/dbraw/zinc/73/25/69/947732569.db2.gz DVJFOIBLZCGMQR-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM Cc1cc(C(=O)NCCCC(=O)N(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259084 947746937 /nfs/dbraw/zinc/74/69/37/947746937.db2.gz GXFRSNVBRNQHBS-UHFFFAOYSA-N -1 3 382.428 0.959 20 0 GCADHM Cc1cc(C(=O)NCCCC(=O)N(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259084 947746940 /nfs/dbraw/zinc/74/69/40/947746940.db2.gz GXFRSNVBRNQHBS-UHFFFAOYSA-N -1 3 382.428 0.959 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573628161 947747909 /nfs/dbraw/zinc/74/79/09/947747909.db2.gz FUJGQOKCWYAXJA-JSGCOSHPSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573628161 947747916 /nfs/dbraw/zinc/74/79/16/947747916.db2.gz FUJGQOKCWYAXJA-JSGCOSHPSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573628334 947753693 /nfs/dbraw/zinc/75/36/93/947753693.db2.gz GWBTUAICIXHPHG-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573628334 947753702 /nfs/dbraw/zinc/75/37/02/947753702.db2.gz GWBTUAICIXHPHG-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573367303 947756697 /nfs/dbraw/zinc/75/66/97/947756697.db2.gz BTMSPVLHWBFFMO-GFCCVEGCSA-N -1 3 379.396 0.391 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573367303 947756703 /nfs/dbraw/zinc/75/67/03/947756703.db2.gz BTMSPVLHWBFFMO-GFCCVEGCSA-N -1 3 379.396 0.391 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573367408 947760287 /nfs/dbraw/zinc/76/02/87/947760287.db2.gz CVNVBZWVSDLHLW-CQSZACIVSA-N -1 3 389.460 0.585 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573367408 947760293 /nfs/dbraw/zinc/76/02/93/947760293.db2.gz CVNVBZWVSDLHLW-CQSZACIVSA-N -1 3 389.460 0.585 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573367709 947762695 /nfs/dbraw/zinc/76/26/95/947762695.db2.gz GOUHNXMHRHAZSM-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573367709 947762698 /nfs/dbraw/zinc/76/26/98/947762698.db2.gz GOUHNXMHRHAZSM-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573367981 947765304 /nfs/dbraw/zinc/76/53/04/947765304.db2.gz KCOKLSOHMOZTLL-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573367981 947765312 /nfs/dbraw/zinc/76/53/12/947765312.db2.gz KCOKLSOHMOZTLL-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628810 947765379 /nfs/dbraw/zinc/76/53/79/947765379.db2.gz OGLXIEBDMYIUQZ-TZMCWYRMSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628810 947765383 /nfs/dbraw/zinc/76/53/83/947765383.db2.gz OGLXIEBDMYIUQZ-TZMCWYRMSA-N -1 3 382.432 0.907 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573367909 947765603 /nfs/dbraw/zinc/76/56/03/947765603.db2.gz ISZXVGXJEHJNRW-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573367909 947765610 /nfs/dbraw/zinc/76/56/10/947765610.db2.gz ISZXVGXJEHJNRW-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573368909 947770655 /nfs/dbraw/zinc/77/06/55/947770655.db2.gz QKDISBMYNBBVBP-CQSZACIVSA-N -1 3 375.433 0.277 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573368909 947770665 /nfs/dbraw/zinc/77/06/65/947770665.db2.gz QKDISBMYNBBVBP-CQSZACIVSA-N -1 3 375.433 0.277 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573368908 947771354 /nfs/dbraw/zinc/77/13/54/947771354.db2.gz QKDISBMYNBBVBP-AWEZNQCLSA-N -1 3 375.433 0.277 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573368908 947771363 /nfs/dbraw/zinc/77/13/63/947771363.db2.gz QKDISBMYNBBVBP-AWEZNQCLSA-N -1 3 375.433 0.277 20 0 GCADHM Cc1cc(N2CCOC[C@@H]2C(N)=O)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826269209 947777224 /nfs/dbraw/zinc/77/72/24/947777224.db2.gz DYOQZRGVGSUIBZ-CYBMUJFWSA-N -1 3 378.396 0.667 20 0 GCADHM Cc1cc(N2CCOC[C@@H]2C(N)=O)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826269209 947777231 /nfs/dbraw/zinc/77/72/31/947777231.db2.gz DYOQZRGVGSUIBZ-CYBMUJFWSA-N -1 3 378.396 0.667 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573369837 947778326 /nfs/dbraw/zinc/77/83/26/947778326.db2.gz XVXFGUZFSVNYNL-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573369837 947778328 /nfs/dbraw/zinc/77/83/28/947778328.db2.gz XVXFGUZFSVNYNL-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826269563 947780133 /nfs/dbraw/zinc/78/01/33/947780133.db2.gz PNRCKWFFKFEKKK-UHFFFAOYSA-N -1 3 391.413 0.563 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826269563 947780138 /nfs/dbraw/zinc/78/01/38/947780138.db2.gz PNRCKWFFKFEKKK-UHFFFAOYSA-N -1 3 391.413 0.563 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573629739 947784655 /nfs/dbraw/zinc/78/46/55/947784655.db2.gz UYZKZKSTNKRLHZ-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573629739 947784662 /nfs/dbraw/zinc/78/46/62/947784662.db2.gz UYZKZKSTNKRLHZ-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573630247 947787804 /nfs/dbraw/zinc/78/78/04/947787804.db2.gz XAUHRMNRWZFHQV-JQWIXIFHSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573630247 947787812 /nfs/dbraw/zinc/78/78/12/947787812.db2.gz XAUHRMNRWZFHQV-JQWIXIFHSA-N -1 3 386.395 0.656 20 0 GCADHM CC(=O)CCCC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573373105 947788157 /nfs/dbraw/zinc/78/81/57/947788157.db2.gz AYGJAFPSIJSGHW-UHFFFAOYSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573373105 947788166 /nfs/dbraw/zinc/78/81/66/947788166.db2.gz AYGJAFPSIJSGHW-UHFFFAOYSA-N -1 3 387.444 0.469 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573630100 947789084 /nfs/dbraw/zinc/78/90/84/947789084.db2.gz QLNFAQMQSWMAER-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573630100 947789091 /nfs/dbraw/zinc/78/90/91/947789091.db2.gz QLNFAQMQSWMAER-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM Cc1cc(S(=O)(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c(C)o1 ZINC000826272167 947789540 /nfs/dbraw/zinc/78/95/40/947789540.db2.gz WYVYQPWLWBYVMJ-UHFFFAOYSA-N -1 3 389.441 0.982 20 0 GCADHM Cc1cc(S(=O)(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c(C)o1 ZINC000826272167 947789546 /nfs/dbraw/zinc/78/95/46/947789546.db2.gz WYVYQPWLWBYVMJ-UHFFFAOYSA-N -1 3 389.441 0.982 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573630803 947798005 /nfs/dbraw/zinc/79/80/05/947798005.db2.gz SJTBIIVLVJWECR-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573630803 947798013 /nfs/dbraw/zinc/79/80/13/947798013.db2.gz SJTBIIVLVJWECR-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000826277716 947799194 /nfs/dbraw/zinc/79/91/94/947799194.db2.gz DQOIHQLERQSMDH-NSHDSACASA-N -1 3 379.446 0.673 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000826277716 947799201 /nfs/dbraw/zinc/79/92/01/947799201.db2.gz DQOIHQLERQSMDH-NSHDSACASA-N -1 3 379.446 0.673 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000826280174 947805119 /nfs/dbraw/zinc/80/51/19/947805119.db2.gz QBCCNTXBZGDXLV-CQSZACIVSA-N -1 3 384.421 0.869 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H]1CN(c2ccccc2)C1=O ZINC000826280174 947805132 /nfs/dbraw/zinc/80/51/32/947805132.db2.gz QBCCNTXBZGDXLV-CQSZACIVSA-N -1 3 384.421 0.869 20 0 GCADHM CC(=O)CCCC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573375035 947813771 /nfs/dbraw/zinc/81/37/71/947813771.db2.gz LSZVUGLFUINRQE-UHFFFAOYSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573375035 947813775 /nfs/dbraw/zinc/81/37/75/947813775.db2.gz LSZVUGLFUINRQE-UHFFFAOYSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573375007 947813852 /nfs/dbraw/zinc/81/38/52/947813852.db2.gz PTYYLNWODIKZQQ-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573375007 947813855 /nfs/dbraw/zinc/81/38/55/947813855.db2.gz PTYYLNWODIKZQQ-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@@H](C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573637553 947816766 /nfs/dbraw/zinc/81/67/66/947816766.db2.gz ILMCMYDVIIUZIT-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573637553 947816772 /nfs/dbraw/zinc/81/67/72/947816772.db2.gz ILMCMYDVIIUZIT-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001573637523 947817030 /nfs/dbraw/zinc/81/70/30/947817030.db2.gz HJPVYNQTXHTZLW-DOMZBBRYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001573637523 947817039 /nfs/dbraw/zinc/81/70/39/947817039.db2.gz HJPVYNQTXHTZLW-DOMZBBRYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573637765 947824834 /nfs/dbraw/zinc/82/48/34/947824834.db2.gz PKIJWBYINFLFPD-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573637765 947824847 /nfs/dbraw/zinc/82/48/47/947824847.db2.gz PKIJWBYINFLFPD-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573376211 947832366 /nfs/dbraw/zinc/83/23/66/947832366.db2.gz UEAQPVAWGFWXPL-AWEZNQCLSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573376211 947832379 /nfs/dbraw/zinc/83/23/79/947832379.db2.gz UEAQPVAWGFWXPL-AWEZNQCLSA-N -1 3 375.433 0.825 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cncnc1 ZINC001573638101 947834504 /nfs/dbraw/zinc/83/45/04/947834504.db2.gz CWLHVFDQAZXHLH-NSHDSACASA-N -1 3 381.400 0.073 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cncnc1 ZINC001573638101 947834510 /nfs/dbraw/zinc/83/45/10/947834510.db2.gz CWLHVFDQAZXHLH-NSHDSACASA-N -1 3 381.400 0.073 20 0 GCADHM C[C@@H](C(=O)N1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001573638161 947835603 /nfs/dbraw/zinc/83/56/03/947835603.db2.gz HNPRVSBIDXVWBS-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@@H](C(=O)N1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001573638161 947835608 /nfs/dbraw/zinc/83/56/08/947835608.db2.gz HNPRVSBIDXVWBS-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573376810 947842824 /nfs/dbraw/zinc/84/28/24/947842824.db2.gz YJXYDOFSPTXGQH-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573376810 947842832 /nfs/dbraw/zinc/84/28/32/947842832.db2.gz YJXYDOFSPTXGQH-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N1CCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573376928 947844397 /nfs/dbraw/zinc/84/43/97/947844397.db2.gz FMKSOCLGXWYNBK-ZDUSSCGKSA-N -1 3 391.407 0.799 20 0 GCADHM CC(=O)CCCC(=O)N1CCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573376928 947844405 /nfs/dbraw/zinc/84/44/05/947844405.db2.gz FMKSOCLGXWYNBK-ZDUSSCGKSA-N -1 3 391.407 0.799 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573376954 947846979 /nfs/dbraw/zinc/84/69/79/947846979.db2.gz GGOHFTJLLXIOER-DFBGVHRSSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573376954 947846983 /nfs/dbraw/zinc/84/69/83/947846983.db2.gz GGOHFTJLLXIOER-DFBGVHRSSA-N -1 3 385.428 0.816 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573640132 947850327 /nfs/dbraw/zinc/85/03/27/947850327.db2.gz FZRWQYQNTLQGRU-NXEZZACHSA-N -1 3 382.421 0.452 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573640132 947850334 /nfs/dbraw/zinc/85/03/34/947850334.db2.gz FZRWQYQNTLQGRU-NXEZZACHSA-N -1 3 382.421 0.452 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001573378351 947857137 /nfs/dbraw/zinc/85/71/37/947857137.db2.gz ZYUCFGZHNOXZED-OKILXGFUSA-N -1 3 385.428 0.485 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001573378351 947857149 /nfs/dbraw/zinc/85/71/49/947857149.db2.gz ZYUCFGZHNOXZED-OKILXGFUSA-N -1 3 385.428 0.485 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573380491 947858373 /nfs/dbraw/zinc/85/83/73/947858373.db2.gz CVWOLELFAUGXND-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573380491 947858381 /nfs/dbraw/zinc/85/83/81/947858381.db2.gz CVWOLELFAUGXND-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573642237 947860123 /nfs/dbraw/zinc/86/01/23/947860123.db2.gz PGSAQUUCQGHYBG-AAEUAGOBSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573642237 947860127 /nfs/dbraw/zinc/86/01/27/947860127.db2.gz PGSAQUUCQGHYBG-AAEUAGOBSA-N -1 3 389.460 0.834 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573380543 947860679 /nfs/dbraw/zinc/86/06/79/947860679.db2.gz FCNZTKVKDJFGCY-HIFRSBDPSA-N -1 3 390.419 0.821 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573380543 947860683 /nfs/dbraw/zinc/86/06/83/947860683.db2.gz FCNZTKVKDJFGCY-HIFRSBDPSA-N -1 3 390.419 0.821 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573642304 947861555 /nfs/dbraw/zinc/86/15/55/947861555.db2.gz PSZHFXHEJJNKKA-VXGBXAGGSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573642304 947861566 /nfs/dbraw/zinc/86/15/66/947861566.db2.gz PSZHFXHEJJNKKA-VXGBXAGGSA-N -1 3 389.460 0.834 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001573380845 947865212 /nfs/dbraw/zinc/86/52/12/947865212.db2.gz IJUDWAZNIYXLKH-CABCVRRESA-N -1 3 387.444 0.385 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573380845 947865220 /nfs/dbraw/zinc/86/52/20/947865220.db2.gz IJUDWAZNIYXLKH-CABCVRRESA-N -1 3 387.444 0.385 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573643654 947865992 /nfs/dbraw/zinc/86/59/92/947865992.db2.gz VXSYMXUDRFKPIP-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573643654 947866005 /nfs/dbraw/zinc/86/60/05/947866005.db2.gz VXSYMXUDRFKPIP-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001573380978 947867037 /nfs/dbraw/zinc/86/70/37/947867037.db2.gz MBQJQBDKPGHLKN-LSDHHAIUSA-N -1 3 387.444 0.385 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001573380978 947867041 /nfs/dbraw/zinc/86/70/41/947867041.db2.gz MBQJQBDKPGHLKN-LSDHHAIUSA-N -1 3 387.444 0.385 20 0 GCADHM C[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573644078 947867550 /nfs/dbraw/zinc/86/75/50/947867550.db2.gz XXYNGXRBCKDCQO-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573644078 947867555 /nfs/dbraw/zinc/86/75/55/947867555.db2.gz XXYNGXRBCKDCQO-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)n1cncn1 ZINC001573645814 947869994 /nfs/dbraw/zinc/86/99/94/947869994.db2.gz BNOFERBUFAFLII-SGMGOOAPSA-N -1 3 380.416 0.152 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)n1cncn1 ZINC001573645814 947870003 /nfs/dbraw/zinc/87/00/03/947870003.db2.gz BNOFERBUFAFLII-SGMGOOAPSA-N -1 3 380.416 0.152 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C)n1cccc1 ZINC001573646208 947873461 /nfs/dbraw/zinc/87/34/61/947873461.db2.gz GZYSOEBCEGEVKN-AGIUHOORSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C)n1cccc1 ZINC001573646208 947873467 /nfs/dbraw/zinc/87/34/67/947873467.db2.gz GZYSOEBCEGEVKN-AGIUHOORSA-N -1 3 382.428 0.977 20 0 GCADHM CC(=O)CCCC(=O)NC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573381463 947875549 /nfs/dbraw/zinc/87/55/49/947875549.db2.gz VTFZFYZPSVJGIN-SFHVURJKSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573381463 947875556 /nfs/dbraw/zinc/87/55/56/947875556.db2.gz VTFZFYZPSVJGIN-SFHVURJKSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573381699 947875935 /nfs/dbraw/zinc/87/59/35/947875935.db2.gz YBDIPUKEXHNAIE-SFHVURJKSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573381699 947875943 /nfs/dbraw/zinc/87/59/43/947875943.db2.gz YBDIPUKEXHNAIE-SFHVURJKSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573383210 947890053 /nfs/dbraw/zinc/89/00/53/947890053.db2.gz QAIYZYMGXZYHMQ-BXUZGUMPSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573383210 947890061 /nfs/dbraw/zinc/89/00/61/947890061.db2.gz QAIYZYMGXZYHMQ-BXUZGUMPSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573383139 947890812 /nfs/dbraw/zinc/89/08/12/947890812.db2.gz NXZACFGJTDLVOM-CYBMUJFWSA-N -1 3 391.407 0.482 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573383139 947890818 /nfs/dbraw/zinc/89/08/18/947890818.db2.gz NXZACFGJTDLVOM-CYBMUJFWSA-N -1 3 391.407 0.482 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCCC1 ZINC001573647677 947901912 /nfs/dbraw/zinc/90/19/12/947901912.db2.gz RTXCLYFTMMASEQ-VCTAVGKDSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCCC1 ZINC001573647677 947901918 /nfs/dbraw/zinc/90/19/18/947901918.db2.gz RTXCLYFTMMASEQ-VCTAVGKDSA-N -1 3 387.444 0.323 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C(C)(C)C1 ZINC001573387409 947911420 /nfs/dbraw/zinc/91/14/20/947911420.db2.gz ALELKLJWNTXOLN-CYBMUJFWSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C(C)(C)C1 ZINC001573387409 947911426 /nfs/dbraw/zinc/91/14/26/947911426.db2.gz ALELKLJWNTXOLN-CYBMUJFWSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573651009 947915065 /nfs/dbraw/zinc/91/50/65/947915065.db2.gz IEPRDOQCMZENBY-USWWRNFRSA-N -1 3 384.379 0.043 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573651009 947915073 /nfs/dbraw/zinc/91/50/73/947915073.db2.gz IEPRDOQCMZENBY-USWWRNFRSA-N -1 3 384.379 0.043 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573650970 947915433 /nfs/dbraw/zinc/91/54/33/947915433.db2.gz GUSUEJZZVRIESP-NYMYIZQJSA-N -1 3 381.396 0.778 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573650970 947915439 /nfs/dbraw/zinc/91/54/39/947915439.db2.gz GUSUEJZZVRIESP-NYMYIZQJSA-N -1 3 381.396 0.778 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573388274 947916233 /nfs/dbraw/zinc/91/62/33/947916233.db2.gz KDWQFJIOLGMKAC-UHFFFAOYSA-N -1 3 375.408 0.127 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573388274 947916238 /nfs/dbraw/zinc/91/62/38/947916238.db2.gz KDWQFJIOLGMKAC-UHFFFAOYSA-N -1 3 375.408 0.127 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001573651469 947919061 /nfs/dbraw/zinc/91/90/61/947919061.db2.gz MEPMAQBHRXYVFQ-BIMULSAOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001573651469 947919063 /nfs/dbraw/zinc/91/90/63/947919063.db2.gz MEPMAQBHRXYVFQ-BIMULSAOSA-N -1 3 375.433 0.179 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573388670 947920527 /nfs/dbraw/zinc/92/05/27/947920527.db2.gz NOFBOWBSSNLNOG-UHFFFAOYSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573388670 947920535 /nfs/dbraw/zinc/92/05/35/947920535.db2.gz NOFBOWBSSNLNOG-UHFFFAOYSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573651480 947921484 /nfs/dbraw/zinc/92/14/84/947921484.db2.gz MGLSPNIVCUWVBP-QMMMGPOBSA-N -1 3 392.489 0.881 20 0 GCADHM C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573651480 947921493 /nfs/dbraw/zinc/92/14/93/947921493.db2.gz MGLSPNIVCUWVBP-QMMMGPOBSA-N -1 3 392.489 0.881 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573651717 947923516 /nfs/dbraw/zinc/92/35/16/947923516.db2.gz PVNAFHIELCFJQZ-UBHSHLNASA-N -1 3 380.412 0.683 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573651717 947923520 /nfs/dbraw/zinc/92/35/20/947923520.db2.gz PVNAFHIELCFJQZ-UBHSHLNASA-N -1 3 380.412 0.683 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573389489 947924406 /nfs/dbraw/zinc/92/44/06/947924406.db2.gz RPHPRARYWUSUIO-UHFFFAOYSA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573389489 947924410 /nfs/dbraw/zinc/92/44/10/947924410.db2.gz RPHPRARYWUSUIO-UHFFFAOYSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001573652022 947927413 /nfs/dbraw/zinc/92/74/13/947927413.db2.gz UNQQPLYSLILTIX-AMFXNCCOSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001573652022 947927422 /nfs/dbraw/zinc/92/74/22/947927422.db2.gz UNQQPLYSLILTIX-AMFXNCCOSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573651984 947928074 /nfs/dbraw/zinc/92/80/74/947928074.db2.gz SUVDVZBBVJAXGB-WXHSDQCUSA-N -1 3 381.400 0.078 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573651984 947928078 /nfs/dbraw/zinc/92/80/78/947928078.db2.gz SUVDVZBBVJAXGB-WXHSDQCUSA-N -1 3 381.400 0.078 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573390642 947929992 /nfs/dbraw/zinc/92/99/92/947929992.db2.gz ZQHPFPNQVDJWRH-PWSUYJOCSA-N -1 3 375.408 0.885 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573390642 947930004 /nfs/dbraw/zinc/93/00/04/947930004.db2.gz ZQHPFPNQVDJWRH-PWSUYJOCSA-N -1 3 375.408 0.885 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573390589 947930083 /nfs/dbraw/zinc/93/00/83/947930083.db2.gz YMPKTIQFNUQQGT-UHFFFAOYSA-N -1 3 375.408 0.127 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573390589 947930091 /nfs/dbraw/zinc/93/00/91/947930091.db2.gz YMPKTIQFNUQQGT-UHFFFAOYSA-N -1 3 375.408 0.127 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573391352 947933534 /nfs/dbraw/zinc/93/35/34/947933534.db2.gz GMTRVVXLXRYMJI-NSHDSACASA-N -1 3 378.824 0.406 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573391352 947933540 /nfs/dbraw/zinc/93/35/40/947933540.db2.gz GMTRVVXLXRYMJI-NSHDSACASA-N -1 3 378.824 0.406 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573391317 947934265 /nfs/dbraw/zinc/93/42/65/947934265.db2.gz GLDPNLLZDAACRE-UHFFFAOYSA-N -1 3 389.435 0.518 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]21 ZINC001573391781 947935769 /nfs/dbraw/zinc/93/57/69/947935769.db2.gz KEMSSOVQAJVEKV-DZGCQCFKSA-N -1 3 384.444 0.086 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]21 ZINC001573391781 947935777 /nfs/dbraw/zinc/93/57/77/947935777.db2.gz KEMSSOVQAJVEKV-DZGCQCFKSA-N -1 3 384.444 0.086 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573652436 947938102 /nfs/dbraw/zinc/93/81/02/947938102.db2.gz ZSENLZCIAMSHHS-CQDKDKBSSA-N -1 3 392.423 0.819 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573652436 947938110 /nfs/dbraw/zinc/93/81/10/947938110.db2.gz ZSENLZCIAMSHHS-CQDKDKBSSA-N -1 3 392.423 0.819 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573652384 947938272 /nfs/dbraw/zinc/93/82/72/947938272.db2.gz YOUZAMTVMMEDOB-FJJYHAOUSA-N -1 3 380.412 0.444 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573652384 947938277 /nfs/dbraw/zinc/93/82/77/947938277.db2.gz YOUZAMTVMMEDOB-FJJYHAOUSA-N -1 3 380.412 0.444 20 0 GCADHM Cc1csc2ncc(C(=O)NCCNc3ncccc3-c3nnn[n-]3)c(=O)n12 ZINC000826321058 947939350 /nfs/dbraw/zinc/93/93/50/947939350.db2.gz OPEXVFIVVTUHOB-UHFFFAOYSA-N -1 3 397.424 0.481 20 0 GCADHM Cc1csc2ncc(C(=O)NCCNc3ncccc3-c3nn[n-]n3)c(=O)n12 ZINC000826321058 947939356 /nfs/dbraw/zinc/93/93/56/947939356.db2.gz OPEXVFIVVTUHOB-UHFFFAOYSA-N -1 3 397.424 0.481 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573392076 947942825 /nfs/dbraw/zinc/94/28/25/947942825.db2.gz RDZFVGCLNUVXSO-AWEZNQCLSA-N -1 3 386.460 0.841 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573392076 947942832 /nfs/dbraw/zinc/94/28/32/947942832.db2.gz RDZFVGCLNUVXSO-AWEZNQCLSA-N -1 3 386.460 0.841 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573652656 947943724 /nfs/dbraw/zinc/94/37/24/947943724.db2.gz GACHPGKWYLPVMZ-BXKDBHETSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573652656 947943731 /nfs/dbraw/zinc/94/37/31/947943731.db2.gz GACHPGKWYLPVMZ-BXKDBHETSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001573392180 947944753 /nfs/dbraw/zinc/94/47/53/947944753.db2.gz VHGJXAKYRXFXQN-GJZGRUSLSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001573392180 947944763 /nfs/dbraw/zinc/94/47/63/947944763.db2.gz VHGJXAKYRXFXQN-GJZGRUSLSA-N -1 3 384.444 0.310 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573652680 947945004 /nfs/dbraw/zinc/94/50/04/947945004.db2.gz GJVHAOSPQQTHAX-PWSUYJOCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573652680 947945014 /nfs/dbraw/zinc/94/50/14/947945014.db2.gz GJVHAOSPQQTHAX-PWSUYJOCSA-N -1 3 375.433 0.228 20 0 GCADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN(C)[C@@H]3CCSC3)CC2)o1 ZINC000826323024 947945105 /nfs/dbraw/zinc/94/51/05/947945105.db2.gz MNEBYBIQMKNSHN-GFCCVEGCSA-N -1 3 392.489 0.249 20 0 GCADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN(C)[C@H]3CCSC3)CC2)o1 ZINC000826323025 947946032 /nfs/dbraw/zinc/94/60/32/947946032.db2.gz MNEBYBIQMKNSHN-LBPRGKRZSA-N -1 3 392.489 0.249 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573652906 947949739 /nfs/dbraw/zinc/94/97/39/947949739.db2.gz ICKWBKCFNDMFSH-DGCLKSJQSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573652906 947949740 /nfs/dbraw/zinc/94/97/40/947949740.db2.gz ICKWBKCFNDMFSH-DGCLKSJQSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccc1 ZINC001573653136 947950239 /nfs/dbraw/zinc/95/02/39/947950239.db2.gz JJGOSNNARCIMCT-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccc1 ZINC001573653136 947950249 /nfs/dbraw/zinc/95/02/49/947950249.db2.gz JJGOSNNARCIMCT-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392693 947950464 /nfs/dbraw/zinc/95/04/64/947950464.db2.gz FBNLLKHHAXABEG-JSGCOSHPSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392693 947950471 /nfs/dbraw/zinc/95/04/71/947950471.db2.gz FBNLLKHHAXABEG-JSGCOSHPSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573392858 947953227 /nfs/dbraw/zinc/95/32/27/947953227.db2.gz GSKNWBBCNLZTRC-XHDPSFHLSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573392858 947953228 /nfs/dbraw/zinc/95/32/28/947953228.db2.gz GSKNWBBCNLZTRC-XHDPSFHLSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001573393408 947956254 /nfs/dbraw/zinc/95/62/54/947956254.db2.gz LQZOHMMJIANDLK-GWCFXTLKSA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001573393408 947956268 /nfs/dbraw/zinc/95/62/68/947956268.db2.gz LQZOHMMJIANDLK-GWCFXTLKSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573653403 947957596 /nfs/dbraw/zinc/95/75/96/947957596.db2.gz LIQZYBWGLOBZRS-DRZSPHRISA-N -1 3 386.460 0.397 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573653403 947957606 /nfs/dbraw/zinc/95/76/06/947957606.db2.gz LIQZYBWGLOBZRS-DRZSPHRISA-N -1 3 386.460 0.397 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573653405 947958052 /nfs/dbraw/zinc/95/80/52/947958052.db2.gz LIQZYBWGLOBZRS-WXHSDQCUSA-N -1 3 386.460 0.397 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573653405 947958055 /nfs/dbraw/zinc/95/80/55/947958055.db2.gz LIQZYBWGLOBZRS-WXHSDQCUSA-N -1 3 386.460 0.397 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573393599 947958062 /nfs/dbraw/zinc/95/80/62/947958062.db2.gz NWLWQBMPPTWSTI-NSHDSACASA-N -1 3 392.851 0.654 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573393599 947958064 /nfs/dbraw/zinc/95/80/64/947958064.db2.gz NWLWQBMPPTWSTI-NSHDSACASA-N -1 3 392.851 0.654 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573393567 947958735 /nfs/dbraw/zinc/95/87/35/947958735.db2.gz NOWKOWNHUWBRMI-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573393567 947958743 /nfs/dbraw/zinc/95/87/43/947958743.db2.gz NOWKOWNHUWBRMI-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccs1 ZINC001573653665 947960181 /nfs/dbraw/zinc/96/01/81/947960181.db2.gz NDHZQYZOALGHFD-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccs1 ZINC001573653665 947960186 /nfs/dbraw/zinc/96/01/86/947960186.db2.gz NDHZQYZOALGHFD-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573393958 947960415 /nfs/dbraw/zinc/96/04/15/947960415.db2.gz RGEFGCMXYWOTHL-JOYOIKCWSA-N -1 3 392.489 0.759 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573393739 947961117 /nfs/dbraw/zinc/96/11/17/947961117.db2.gz PMUFDVARYPVZII-GFCCVEGCSA-N -1 3 392.489 0.760 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@@H](C)C1 ZINC001573394382 947962731 /nfs/dbraw/zinc/96/27/31/947962731.db2.gz SQBGFOYBKBPBFV-JSGCOSHPSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)[C@@H](C)C1 ZINC001573394382 947962735 /nfs/dbraw/zinc/96/27/35/947962735.db2.gz SQBGFOYBKBPBFV-JSGCOSHPSA-N -1 3 386.460 0.637 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN(C)CC(=O)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826332401 947965458 /nfs/dbraw/zinc/96/54/58/947965458.db2.gz SSCALDAZEYFLSB-UHFFFAOYSA-N -1 3 396.455 0.651 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN(C)CC(=O)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826332401 947965465 /nfs/dbraw/zinc/96/54/65/947965465.db2.gz SSCALDAZEYFLSB-UHFFFAOYSA-N -1 3 396.455 0.651 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573654456 947966536 /nfs/dbraw/zinc/96/65/36/947966536.db2.gz RBWGTSQBZNDJLW-YPMHNXCESA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573654456 947966542 /nfs/dbraw/zinc/96/65/42/947966542.db2.gz RBWGTSQBZNDJLW-YPMHNXCESA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573394705 947966619 /nfs/dbraw/zinc/96/66/19/947966619.db2.gz VKAWNDHJSSZMKW-AWEZNQCLSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573394705 947966626 /nfs/dbraw/zinc/96/66/26/947966626.db2.gz VKAWNDHJSSZMKW-AWEZNQCLSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573395165 947968277 /nfs/dbraw/zinc/96/82/77/947968277.db2.gz XIULTPVRFUDKOF-KRWDZBQOSA-N -1 3 390.423 0.530 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573395165 947968283 /nfs/dbraw/zinc/96/82/83/947968283.db2.gz XIULTPVRFUDKOF-KRWDZBQOSA-N -1 3 390.423 0.530 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573394821 947968826 /nfs/dbraw/zinc/96/88/26/947968826.db2.gz WLXZXVNTRBDBCC-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573394821 947968832 /nfs/dbraw/zinc/96/88/32/947968832.db2.gz WLXZXVNTRBDBCC-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573654691 947970578 /nfs/dbraw/zinc/97/05/78/947970578.db2.gz STYMREBRKIGEAO-BXKDBHETSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573654691 947970581 /nfs/dbraw/zinc/97/05/81/947970581.db2.gz STYMREBRKIGEAO-BXKDBHETSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573397523 947972415 /nfs/dbraw/zinc/97/24/15/947972415.db2.gz BINPIQIUBWDDQY-UHFFFAOYSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573397523 947972419 /nfs/dbraw/zinc/97/24/19/947972419.db2.gz BINPIQIUBWDDQY-UHFFFAOYSA-N -1 3 392.851 0.700 20 0 GCADHM Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826339405 947974505 /nfs/dbraw/zinc/97/45/05/947974505.db2.gz CLZRVGUQVZXAEM-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826339405 947974510 /nfs/dbraw/zinc/97/45/10/947974510.db2.gz CLZRVGUQVZXAEM-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001573397619 947975041 /nfs/dbraw/zinc/97/50/41/947975041.db2.gz CVZKADSZHRMESV-QEJZJMRPSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001573397619 947975048 /nfs/dbraw/zinc/97/50/48/947975048.db2.gz CVZKADSZHRMESV-QEJZJMRPSA-N -1 3 384.444 0.214 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573655212 947975617 /nfs/dbraw/zinc/97/56/17/947975617.db2.gz WLUPVHDCDFQEKY-ABAIWWIYSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573655212 947975626 /nfs/dbraw/zinc/97/56/26/947975626.db2.gz WLUPVHDCDFQEKY-ABAIWWIYSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573655455 947977235 /nfs/dbraw/zinc/97/72/35/947977235.db2.gz XMOWKXVVFIGTTB-YPMHNXCESA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573398334 947980828 /nfs/dbraw/zinc/98/08/28/947980828.db2.gz JRVFQSSSUOYAKI-UWVGGRQHSA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573398334 947980837 /nfs/dbraw/zinc/98/08/37/947980837.db2.gz JRVFQSSSUOYAKI-UWVGGRQHSA-N -1 3 378.412 0.574 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573655791 947981188 /nfs/dbraw/zinc/98/11/88/947981188.db2.gz YVOKEGYLDWOQAY-RYUDHWBXSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1)n1cccn1 ZINC001573655953 947981352 /nfs/dbraw/zinc/98/13/52/947981352.db2.gz AGRFWLHIJOQZDI-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1)n1cccn1 ZINC001573655953 947981359 /nfs/dbraw/zinc/98/13/59/947981359.db2.gz AGRFWLHIJOQZDI-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@@H]1N(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573398543 947981502 /nfs/dbraw/zinc/98/15/02/947981502.db2.gz MLTOFNYAEXYVDN-KSSFIOAISA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@@H]1N(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573398543 947981506 /nfs/dbraw/zinc/98/15/06/947981506.db2.gz MLTOFNYAEXYVDN-KSSFIOAISA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccsc1 ZINC001573655766 947981807 /nfs/dbraw/zinc/98/18/07/947981807.db2.gz YSHQVVLGJWLFDU-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccsc1 ZINC001573655766 947981813 /nfs/dbraw/zinc/98/18/13/947981813.db2.gz YSHQVVLGJWLFDU-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccsc1 ZINC001573655768 947982616 /nfs/dbraw/zinc/98/26/16/947982616.db2.gz YSHQVVLGJWLFDU-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccsc1 ZINC001573655768 947982622 /nfs/dbraw/zinc/98/26/22/947982622.db2.gz YSHQVVLGJWLFDU-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573655978 947984192 /nfs/dbraw/zinc/98/41/92/947984192.db2.gz ASNDGZAMJHBECZ-DIFFPNOSSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573655978 947984201 /nfs/dbraw/zinc/98/42/01/947984201.db2.gz ASNDGZAMJHBECZ-DIFFPNOSSA-N -1 3 385.407 0.944 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573399017 947987973 /nfs/dbraw/zinc/98/79/73/947987973.db2.gz RYIUMMPAIQVGNA-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573399017 947987978 /nfs/dbraw/zinc/98/79/78/947987978.db2.gz RYIUMMPAIQVGNA-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573399326 947991793 /nfs/dbraw/zinc/99/17/93/947991793.db2.gz VLMBYQBBHXKRJJ-KBPBESRZSA-N -1 3 387.419 0.269 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573399326 947991800 /nfs/dbraw/zinc/99/18/00/947991800.db2.gz VLMBYQBBHXKRJJ-KBPBESRZSA-N -1 3 387.419 0.269 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cnn(C)c1 ZINC001573657111 947996494 /nfs/dbraw/zinc/99/64/94/947996494.db2.gz KQMNNWYVQPXPNE-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cnn(C)c1 ZINC001573657111 947996501 /nfs/dbraw/zinc/99/65/01/947996501.db2.gz KQMNNWYVQPXPNE-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573401847 948000617 /nfs/dbraw/zinc/00/06/17/948000617.db2.gz DOODUPXELKYTHF-CQSZACIVSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573402777 948004070 /nfs/dbraw/zinc/00/40/70/948004070.db2.gz IEPPYCHHFZYIRR-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573402777 948004077 /nfs/dbraw/zinc/00/40/77/948004077.db2.gz IEPPYCHHFZYIRR-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573402762 948004794 /nfs/dbraw/zinc/00/47/94/948004794.db2.gz HVWNNMSAHRYEMT-LLVKDONJSA-N -1 3 380.478 0.663 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573402991 948006803 /nfs/dbraw/zinc/00/68/03/948006803.db2.gz JVCSPUDYSCFFHL-GFCCVEGCSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573402991 948006806 /nfs/dbraw/zinc/00/68/06/948006806.db2.gz JVCSPUDYSCFFHL-GFCCVEGCSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573403473 948010798 /nfs/dbraw/zinc/01/07/98/948010798.db2.gz NDSOBELHAUPYJQ-NWDGAFQWSA-N -1 3 392.489 0.949 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573403447 948011521 /nfs/dbraw/zinc/01/15/21/948011521.db2.gz MROYPMZIXAORLX-LBPRGKRZSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573403447 948011532 /nfs/dbraw/zinc/01/15/32/948011532.db2.gz MROYPMZIXAORLX-LBPRGKRZSA-N -1 3 375.408 0.569 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573658696 948012302 /nfs/dbraw/zinc/01/23/02/948012302.db2.gz TUOKPVNMQHQZKD-SGTLLEGYSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573658696 948012310 /nfs/dbraw/zinc/01/23/10/948012310.db2.gz TUOKPVNMQHQZKD-SGTLLEGYSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573403738 948013114 /nfs/dbraw/zinc/01/31/14/948013114.db2.gz OAENSHNACAEMNP-ZIAGYGMSSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573403738 948013122 /nfs/dbraw/zinc/01/31/22/948013122.db2.gz OAENSHNACAEMNP-ZIAGYGMSSA-N -1 3 386.460 0.745 20 0 GCADHM Cc1onc(CC(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826344885 948013298 /nfs/dbraw/zinc/01/32/98/948013298.db2.gz VPTFBDBGZGINBB-SCRDCRAPSA-N -1 3 389.460 0.806 20 0 GCADHM Cc1onc(CC(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826344885 948013308 /nfs/dbraw/zinc/01/33/08/948013308.db2.gz VPTFBDBGZGINBB-SCRDCRAPSA-N -1 3 389.460 0.806 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573403694 948013709 /nfs/dbraw/zinc/01/37/09/948013709.db2.gz NKYQKQWGBVXYGR-JSGCOSHPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573403694 948013714 /nfs/dbraw/zinc/01/37/14/948013714.db2.gz 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CC(=O)N(C)CC(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573404385 948021304 /nfs/dbraw/zinc/02/13/04/948021304.db2.gz SVKCHKBITOLTMQ-NSHDSACASA-N -1 3 377.424 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573404450 948023817 /nfs/dbraw/zinc/02/38/17/948023817.db2.gz FKQHXRHFWLICMT-CQSZACIVSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573404450 948023828 /nfs/dbraw/zinc/02/38/28/948023828.db2.gz FKQHXRHFWLICMT-CQSZACIVSA-N -1 3 375.408 0.175 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573662395 948025792 /nfs/dbraw/zinc/02/57/92/948025792.db2.gz CMRJXEUOFLEMLQ-IINYFYTJSA-N -1 3 386.460 0.302 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573662796 948027913 /nfs/dbraw/zinc/02/79/13/948027913.db2.gz GQXXUAPQRWJQMA-UNXYVOJBSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 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VOLRDHHMKDQNHQ-KBPBESRZSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573404745 948031056 /nfs/dbraw/zinc/03/10/56/948031056.db2.gz VOLRDHHMKDQNHQ-KGLIPLIRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573404745 948031063 /nfs/dbraw/zinc/03/10/63/948031063.db2.gz VOLRDHHMKDQNHQ-KGLIPLIRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573404863 948032600 /nfs/dbraw/zinc/03/26/00/948032600.db2.gz XCLGXLUDOIWLNT-YPMHNXCESA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573404863 948032608 /nfs/dbraw/zinc/03/26/08/948032608.db2.gz XCLGXLUDOIWLNT-YPMHNXCESA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001573404935 948034549 /nfs/dbraw/zinc/03/45/49/948034549.db2.gz KYWFXKHEOUODIA-UHFFFAOYSA-N -1 3 375.408 0.935 20 0 GCADHM 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ZINC001573404942 948036111 /nfs/dbraw/zinc/03/61/11/948036111.db2.gz LNVRSGAVKOKGDK-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573404942 948036120 /nfs/dbraw/zinc/03/61/20/948036120.db2.gz LNVRSGAVKOKGDK-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573405194 948040735 /nfs/dbraw/zinc/04/07/35/948040735.db2.gz ZYLMNMRLZZRVPL-ZIAGYGMSSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573405194 948040744 /nfs/dbraw/zinc/04/07/44/948040744.db2.gz ZYLMNMRLZZRVPL-ZIAGYGMSSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573405779 948046797 /nfs/dbraw/zinc/04/67/97/948046797.db2.gz WWWFGTAVEIVSDF-CYBMUJFWSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573405779 948046807 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0.889 20 0 GCADHM C[C@@H](C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573664109 948048939 /nfs/dbraw/zinc/04/89/39/948048939.db2.gz BWRTUDMUXPCLHT-XGNXJENSSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573664184 948050824 /nfs/dbraw/zinc/05/08/24/948050824.db2.gz CNITXGJZBHHLFW-AAEUAGOBSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573664184 948050835 /nfs/dbraw/zinc/05/08/35/948050835.db2.gz CNITXGJZBHHLFW-AAEUAGOBSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573664188 948051420 /nfs/dbraw/zinc/05/14/20/948051420.db2.gz CNITXGJZBHHLFW-WCQYABFASA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573664188 948051428 /nfs/dbraw/zinc/05/14/28/948051428.db2.gz CNITXGJZBHHLFW-WCQYABFASA-N -1 3 385.407 0.944 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573406530 948053155 /nfs/dbraw/zinc/05/31/55/948053155.db2.gz JGCBZHFGQALYSN-NWDGAFQWSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001573406618 948054793 /nfs/dbraw/zinc/05/47/93/948054793.db2.gz OCYGLJXNYGXLIJ-BXKDBHETSA-N -1 3 392.489 0.298 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573406563 948055114 /nfs/dbraw/zinc/05/51/14/948055114.db2.gz KWBSOZLSWOMVOK-PHIMTYICSA-N -1 3 378.462 0.417 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573406786 948058000 /nfs/dbraw/zinc/05/80/00/948058000.db2.gz SYXODKADZWURAF-KLPPZKSPSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573406786 948058009 /nfs/dbraw/zinc/05/80/09/948058009.db2.gz SYXODKADZWURAF-KLPPZKSPSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nnn[n-]1 ZINC001573406970 948060018 /nfs/dbraw/zinc/06/00/18/948060018.db2.gz YQUOPIJFDWNKOY-UTUOFQBUSA-N -1 3 390.473 0.336 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573409708 948073856 /nfs/dbraw/zinc/07/38/56/948073856.db2.gz VMUZACABSDYTIZ-QWRGUYRKSA-N -1 3 390.448 0.076 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573409708 948073866 /nfs/dbraw/zinc/07/38/66/948073866.db2.gz VMUZACABSDYTIZ-QWRGUYRKSA-N -1 3 390.448 0.076 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573409719 948077563 /nfs/dbraw/zinc/07/75/63/948077563.db2.gz VTUMOKNMELHMQU-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573409719 948077570 /nfs/dbraw/zinc/07/75/70/948077570.db2.gz VTUMOKNMELHMQU-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@@H](C)CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573413651 948083798 /nfs/dbraw/zinc/08/37/98/948083798.db2.gz COVBCRUXMPGSTC-QMMMGPOBSA-N -1 3 378.462 0.369 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573414065 948087929 /nfs/dbraw/zinc/08/79/29/948087929.db2.gz JCCLTPSMLTWZLK-UHFFFAOYSA-N -1 3 387.419 0.128 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573414065 948087944 /nfs/dbraw/zinc/08/79/44/948087944.db2.gz JCCLTPSMLTWZLK-UHFFFAOYSA-N -1 3 387.419 0.128 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3snc(C)c3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001573414463 948092183 /nfs/dbraw/zinc/09/21/83/948092183.db2.gz MOZOJSJIUBEMMS-QPUJVOFHSA-N -1 3 390.473 0.511 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573414238 948092700 /nfs/dbraw/zinc/09/27/00/948092700.db2.gz JCIBFZWNIJRJQQ-UHFFFAOYSA-N -1 3 386.460 0.333 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573414238 948092711 /nfs/dbraw/zinc/09/27/11/948092711.db2.gz JCIBFZWNIJRJQQ-UHFFFAOYSA-N -1 3 386.460 0.333 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573667140 948094364 /nfs/dbraw/zinc/09/43/64/948094364.db2.gz YFWBTXNSIDJVKD-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573667140 948094377 /nfs/dbraw/zinc/09/43/77/948094377.db2.gz YFWBTXNSIDJVKD-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573414543 948094840 /nfs/dbraw/zinc/09/48/40/948094840.db2.gz OBEURVRPFRMLTQ-BXUZGUMPSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001573414543 948094851 /nfs/dbraw/zinc/09/48/51/948094851.db2.gz OBEURVRPFRMLTQ-BXUZGUMPSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C(C)(C)C2)C1 ZINC001573414485 948095169 /nfs/dbraw/zinc/09/51/69/948095169.db2.gz MYCJEJBBGDFJOJ-CQSZACIVSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C(C)(C)C2)C1 ZINC001573414485 948095179 /nfs/dbraw/zinc/09/51/79/948095179.db2.gz MYCJEJBBGDFJOJ-CQSZACIVSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573414692 948096871 /nfs/dbraw/zinc/09/68/71/948096871.db2.gz NTXAKMFRPPIOFX-CYBMUJFWSA-N -1 3 389.485 0.439 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573414692 948096881 /nfs/dbraw/zinc/09/68/81/948096881.db2.gz NTXAKMFRPPIOFX-CYBMUJFWSA-N -1 3 389.485 0.439 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C[C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573414693 948097158 /nfs/dbraw/zinc/09/71/58/948097158.db2.gz NTXAKMFRPPIOFX-ZDUSSCGKSA-N -1 3 389.485 0.439 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573414693 948097167 /nfs/dbraw/zinc/09/71/67/948097167.db2.gz NTXAKMFRPPIOFX-ZDUSSCGKSA-N -1 3 389.485 0.439 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@@H](C)CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573414712 948097287 /nfs/dbraw/zinc/09/72/87/948097287.db2.gz OHCNJBJBLXSYAW-JTQLQIEISA-N -1 3 375.408 0.743 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@@H](C)CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573414712 948097292 /nfs/dbraw/zinc/09/72/92/948097292.db2.gz OHCNJBJBLXSYAW-JTQLQIEISA-N -1 3 375.408 0.743 20 0 GCADHM CC(=O)N1CC(C(=O)N(CCN(C)c2ncccc2-c2nnn[n-]2)C(C)C)C1 ZINC001573414771 948099699 /nfs/dbraw/zinc/09/96/99/948099699.db2.gz OWERADCMMXKGDK-UHFFFAOYSA-N -1 3 386.460 0.413 20 0 GCADHM CC(=O)N1CC(C(=O)N(CCN(C)c2ncccc2-c2nn[n-]n2)C(C)C)C1 ZINC001573414771 948099707 /nfs/dbraw/zinc/09/97/07/948099707.db2.gz OWERADCMMXKGDK-UHFFFAOYSA-N -1 3 386.460 0.413 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573414788 948100336 /nfs/dbraw/zinc/10/03/36/948100336.db2.gz OXTMMSNGDGZEQW-YMTOWFKASA-N -1 3 388.407 0.138 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573414788 948100342 /nfs/dbraw/zinc/10/03/42/948100342.db2.gz OXTMMSNGDGZEQW-YMTOWFKASA-N -1 3 388.407 0.138 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)n1cncn1 ZINC001573670747 948103735 /nfs/dbraw/zinc/10/37/35/948103735.db2.gz DCWQMEBGXWELBB-SMDDNHRTSA-N -1 3 385.407 0.549 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)[C@@H]2C)C1 ZINC001573415311 948105150 /nfs/dbraw/zinc/10/51/50/948105150.db2.gz WZOFVNBOZLXDJM-XPTSAGLGSA-N -1 3 388.407 0.280 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)[C@@H]2C)C1 ZINC001573415311 948105152 /nfs/dbraw/zinc/10/51/52/948105152.db2.gz WZOFVNBOZLXDJM-XPTSAGLGSA-N -1 3 388.407 0.280 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573415259 948105498 /nfs/dbraw/zinc/10/54/98/948105498.db2.gz QMJDYZXBPOTECD-CYBMUJFWSA-N -1 3 387.419 0.521 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573415259 948105502 /nfs/dbraw/zinc/10/55/02/948105502.db2.gz QMJDYZXBPOTECD-CYBMUJFWSA-N -1 3 387.419 0.521 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCN(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573415247 948105926 /nfs/dbraw/zinc/10/59/26/948105926.db2.gz QDXKLWVJKXZMOS-UHFFFAOYSA-N -1 3 392.851 0.288 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCN(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573415247 948105930 /nfs/dbraw/zinc/10/59/30/948105930.db2.gz QDXKLWVJKXZMOS-UHFFFAOYSA-N -1 3 392.851 0.288 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826354946 948107147 /nfs/dbraw/zinc/10/71/47/948107147.db2.gz CRLNODACQRSANX-OAHLLOKOSA-N -1 3 394.391 0.918 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826354946 948107153 /nfs/dbraw/zinc/10/71/53/948107153.db2.gz CRLNODACQRSANX-OAHLLOKOSA-N -1 3 394.391 0.918 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573415334 948107347 /nfs/dbraw/zinc/10/73/47/948107347.db2.gz XOROMLUESGVAKX-HNNXBMFYSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573415334 948107352 /nfs/dbraw/zinc/10/73/52/948107352.db2.gz XOROMLUESGVAKX-HNNXBMFYSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573417737 948112304 /nfs/dbraw/zinc/11/23/04/948112304.db2.gz ALMNKDAKPBOBAC-SECBINFHSA-N -1 3 376.396 0.043 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573417737 948112309 /nfs/dbraw/zinc/11/23/09/948112309.db2.gz ALMNKDAKPBOBAC-SECBINFHSA-N -1 3 376.396 0.043 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573418647 948119358 /nfs/dbraw/zinc/11/93/58/948119358.db2.gz HVUKLSCDAVIYPQ-JTQLQIEISA-N -1 3 375.408 0.425 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573418647 948119361 /nfs/dbraw/zinc/11/93/61/948119361.db2.gz HVUKLSCDAVIYPQ-JTQLQIEISA-N -1 3 375.408 0.425 20 0 GCADHM Cn1cc(CC(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826360446 948120022 /nfs/dbraw/zinc/12/00/22/948120022.db2.gz KLDNYVIRKAZNSS-OAHLLOKOSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1cc(CC(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826360446 948120027 /nfs/dbraw/zinc/12/00/27/948120027.db2.gz KLDNYVIRKAZNSS-OAHLLOKOSA-N -1 3 381.396 0.882 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573419662 948124565 /nfs/dbraw/zinc/12/45/65/948124565.db2.gz OUNPPWUKLFGFIJ-ABAIWWIYSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573419662 948124570 /nfs/dbraw/zinc/12/45/70/948124570.db2.gz OUNPPWUKLFGFIJ-ABAIWWIYSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)N(C)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573419648 948124596 /nfs/dbraw/zinc/12/45/96/948124596.db2.gz OHSQOJMFDHYJTP-NSHDSACASA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)N(C)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573419648 948124603 /nfs/dbraw/zinc/12/46/03/948124603.db2.gz OHSQOJMFDHYJTP-NSHDSACASA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573419635 948125668 /nfs/dbraw/zinc/12/56/68/948125668.db2.gz NWWJJIAJTOGCFH-RISCZKNCSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573419635 948125675 /nfs/dbraw/zinc/12/56/75/948125675.db2.gz NWWJJIAJTOGCFH-RISCZKNCSA-N -1 3 384.444 0.214 20 0 GCADHM Cn1cc(CN2CCN3C(=O)OC[C@@H]3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361211 948129666 /nfs/dbraw/zinc/12/96/66/948129666.db2.gz POKULQXJKDIIIG-HNNXBMFYSA-N -1 3 380.412 0.904 20 0 GCADHM Cn1cc(CN2CCN3C(=O)OC[C@@H]3C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361211 948129671 /nfs/dbraw/zinc/12/96/71/948129671.db2.gz POKULQXJKDIIIG-HNNXBMFYSA-N -1 3 380.412 0.904 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573419851 948130515 /nfs/dbraw/zinc/13/05/15/948130515.db2.gz UJJIDWGMVIPECI-DOMZBBRYSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573419851 948130521 /nfs/dbraw/zinc/13/05/21/948130521.db2.gz UJJIDWGMVIPECI-DOMZBBRYSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573419855 948131229 /nfs/dbraw/zinc/13/12/29/948131229.db2.gz ULERAHQWLNDPPS-JTQLQIEISA-N -1 3 375.408 0.648 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573419855 948131236 /nfs/dbraw/zinc/13/12/36/948131236.db2.gz ULERAHQWLNDPPS-JTQLQIEISA-N -1 3 375.408 0.648 20 0 GCADHM Cn1cc(CN2CCN3C(=O)NC[C@@H]3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361339 948131282 /nfs/dbraw/zinc/13/12/82/948131282.db2.gz UCOLXYDPUGMHIT-OAHLLOKOSA-N -1 3 379.428 0.477 20 0 GCADHM Cn1cc(CN2CCN3C(=O)NC[C@@H]3C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361339 948131283 /nfs/dbraw/zinc/13/12/83/948131283.db2.gz UCOLXYDPUGMHIT-OAHLLOKOSA-N -1 3 379.428 0.477 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)CC(C)C)C1 ZINC001573419864 948131360 /nfs/dbraw/zinc/13/13/60/948131360.db2.gz UMTRNMIQDJYSNP-OAHLLOKOSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)CC(C)C)C1 ZINC001573419864 948131368 /nfs/dbraw/zinc/13/13/68/948131368.db2.gz UMTRNMIQDJYSNP-OAHLLOKOSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)[C@H]2C)C1 ZINC001573419982 948133007 /nfs/dbraw/zinc/13/30/07/948133007.db2.gz XETOXVLOJUMNQN-XHDPSFHLSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)[C@H]2C)C1 ZINC001573419982 948133011 /nfs/dbraw/zinc/13/30/11/948133011.db2.gz XETOXVLOJUMNQN-XHDPSFHLSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573420197 948134896 /nfs/dbraw/zinc/13/48/96/948134896.db2.gz ZCPOERYWEXMCBS-CYBMUJFWSA-N -1 3 389.485 0.487 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCN2c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573420958 948136300 /nfs/dbraw/zinc/13/63/00/948136300.db2.gz AKNFIORTXDMHJG-AWEZNQCLSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCN2c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573420958 948136305 /nfs/dbraw/zinc/13/63/05/948136305.db2.gz AKNFIORTXDMHJG-AWEZNQCLSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573421062 948136718 /nfs/dbraw/zinc/13/67/18/948136718.db2.gz BWOKXOOKFGODSL-SWLSCSKDSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573421062 948136722 /nfs/dbraw/zinc/13/67/22/948136722.db2.gz BWOKXOOKFGODSL-SWLSCSKDSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573421000 948136786 /nfs/dbraw/zinc/13/67/86/948136786.db2.gz BDVOGYXKDMFLTE-CQSZACIVSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573421000 948136790 /nfs/dbraw/zinc/13/67/90/948136790.db2.gz BDVOGYXKDMFLTE-CQSZACIVSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573421647 948139346 /nfs/dbraw/zinc/13/93/46/948139346.db2.gz HNCKJCLHJLQGMP-LLVKDONJSA-N -1 3 390.473 0.052 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)c(C)n3)CCC2)C1 ZINC001573422186 948139842 /nfs/dbraw/zinc/13/98/42/948139842.db2.gz HZJGQLZACQJVPX-UHFFFAOYSA-N -1 3 384.444 0.499 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)c(C)n3)CCC2)C1 ZINC001573422186 948139851 /nfs/dbraw/zinc/13/98/51/948139851.db2.gz HZJGQLZACQJVPX-UHFFFAOYSA-N -1 3 384.444 0.499 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000826364314 948140106 /nfs/dbraw/zinc/14/01/06/948140106.db2.gz RNSPGFMPYBGUBO-CQSZACIVSA-N -1 3 395.427 0.913 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000826364314 948140111 /nfs/dbraw/zinc/14/01/11/948140111.db2.gz RNSPGFMPYBGUBO-CQSZACIVSA-N -1 3 395.427 0.913 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573421671 948140195 /nfs/dbraw/zinc/14/01/95/948140195.db2.gz HSDYGIBLLQLJBY-XBXGTLAGSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573421671 948140200 /nfs/dbraw/zinc/14/02/00/948140200.db2.gz HSDYGIBLLQLJBY-XBXGTLAGSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C(C)C)C1 ZINC001573421569 948140615 /nfs/dbraw/zinc/14/06/15/948140615.db2.gz GZMLXOQHPIEHGH-HNNXBMFYSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C(C)C)C1 ZINC001573421569 948140620 /nfs/dbraw/zinc/14/06/20/948140620.db2.gz GZMLXOQHPIEHGH-HNNXBMFYSA-N -1 3 386.460 0.601 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000826364313 948140610 /nfs/dbraw/zinc/14/06/10/948140610.db2.gz RNSPGFMPYBGUBO-AWEZNQCLSA-N -1 3 395.427 0.913 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000826364313 948140614 /nfs/dbraw/zinc/14/06/14/948140614.db2.gz RNSPGFMPYBGUBO-AWEZNQCLSA-N -1 3 395.427 0.913 20 0 GCADHM Cn1ccnc1N1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000826364923 948142365 /nfs/dbraw/zinc/14/23/65/948142365.db2.gz ROOHJPQNOZXKGG-UHFFFAOYSA-N -1 3 392.427 0.972 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573423042 948144234 /nfs/dbraw/zinc/14/42/34/948144234.db2.gz MBDHMXVZPLPTBM-QMMMGPOBSA-N -1 3 378.462 0.417 20 0 GCADHM C[C@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573678563 948151400 /nfs/dbraw/zinc/15/14/00/948151400.db2.gz FEOOTGMNYBWTBG-BXKDBHETSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573678563 948151410 /nfs/dbraw/zinc/15/14/10/948151410.db2.gz FEOOTGMNYBWTBG-BXKDBHETSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573679236 948160314 /nfs/dbraw/zinc/16/03/14/948160314.db2.gz KATIXZWMBPXYRS-NSHDSACASA-N -1 3 384.419 0.843 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573679236 948160317 /nfs/dbraw/zinc/16/03/17/948160317.db2.gz KATIXZWMBPXYRS-NSHDSACASA-N -1 3 384.419 0.843 20 0 GCADHM C[C@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccn1 ZINC001573679342 948160861 /nfs/dbraw/zinc/16/08/61/948160861.db2.gz HZDOIFRFHSBHCS-YGRLFVJLSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccn1 ZINC001573679342 948160868 /nfs/dbraw/zinc/16/08/68/948160868.db2.gz HZDOIFRFHSBHCS-YGRLFVJLSA-N -1 3 383.416 0.277 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573430080 948174467 /nfs/dbraw/zinc/17/44/67/948174467.db2.gz NDTQMBGHRNYPTR-NSHDSACASA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573430080 948174475 /nfs/dbraw/zinc/17/44/75/948174475.db2.gz NDTQMBGHRNYPTR-NSHDSACASA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573431000 948177980 /nfs/dbraw/zinc/17/79/80/948177980.db2.gz TYSIIYMBKQLVHQ-NEPJUHHUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573431000 948177988 /nfs/dbraw/zinc/17/79/88/948177988.db2.gz TYSIIYMBKQLVHQ-NEPJUHHUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573432126 948186571 /nfs/dbraw/zinc/18/65/71/948186571.db2.gz DVMZHHQJZBZJCT-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573432126 948186577 /nfs/dbraw/zinc/18/65/77/948186577.db2.gz DVMZHHQJZBZJCT-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432435 948187043 /nfs/dbraw/zinc/18/70/43/948187043.db2.gz FQFVFWJDGQWDSD-KPZWWZAWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432435 948187048 /nfs/dbraw/zinc/18/70/48/948187048.db2.gz FQFVFWJDGQWDSD-KPZWWZAWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)c1cnn(C)c1 ZINC001573680789 948187236 /nfs/dbraw/zinc/18/72/36/948187236.db2.gz SAAMSTVAGDEKCI-NSHDSACASA-N -1 3 384.419 0.843 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)c1cnn(C)c1 ZINC001573680789 948187242 /nfs/dbraw/zinc/18/72/42/948187242.db2.gz SAAMSTVAGDEKCI-NSHDSACASA-N -1 3 384.419 0.843 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C)n1cncn1 ZINC001573680932 948191387 /nfs/dbraw/zinc/19/13/87/948191387.db2.gz SMPVTSANJCGLQJ-AAEUAGOBSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C)n1cncn1 ZINC001573680932 948191392 /nfs/dbraw/zinc/19/13/92/948191392.db2.gz SMPVTSANJCGLQJ-AAEUAGOBSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573680975 948191645 /nfs/dbraw/zinc/19/16/45/948191645.db2.gz TYLKHVCROMWXGD-ZUZCIYMTSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573680975 948191650 /nfs/dbraw/zinc/19/16/50/948191650.db2.gz TYLKHVCROMWXGD-ZUZCIYMTSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573680979 948192447 /nfs/dbraw/zinc/19/24/47/948192447.db2.gz UBAJRARAOIGPKZ-ZUZCIYMTSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573680979 948192452 /nfs/dbraw/zinc/19/24/52/948192452.db2.gz UBAJRARAOIGPKZ-ZUZCIYMTSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573681276 948198791 /nfs/dbraw/zinc/19/87/91/948198791.db2.gz UELLDQWJOPJOPB-SVRRBLITSA-N -1 3 377.302 0.488 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573681276 948198798 /nfs/dbraw/zinc/19/87/98/948198798.db2.gz UELLDQWJOPJOPB-SVRRBLITSA-N -1 3 377.302 0.488 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)o1 ZINC000826393502 948200300 /nfs/dbraw/zinc/20/03/00/948200300.db2.gz VFDPAPKYMZRTQU-CYBMUJFWSA-N -1 3 396.363 0.911 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)o1 ZINC000826393502 948200308 /nfs/dbraw/zinc/20/03/08/948200308.db2.gz VFDPAPKYMZRTQU-CYBMUJFWSA-N -1 3 396.363 0.911 20 0 GCADHM NC(=O)NCCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826392688 948201260 /nfs/dbraw/zinc/20/12/60/948201260.db2.gz IYCGWSJOMDOXFJ-UHFFFAOYSA-N -1 3 375.780 0.703 20 0 GCADHM NC(=O)c1cccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826394140 948202643 /nfs/dbraw/zinc/20/26/43/948202643.db2.gz YFFVWQORVMUXBV-CQSZACIVSA-N -1 3 394.395 0.966 20 0 GCADHM NC(=O)c1cccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826394140 948202651 /nfs/dbraw/zinc/20/26/51/948202651.db2.gz YFFVWQORVMUXBV-CQSZACIVSA-N -1 3 394.395 0.966 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@H](Cc3ccncc3)C2)c(-c2nnn[n-]2)c1 ZINC000826394485 948203589 /nfs/dbraw/zinc/20/35/89/948203589.db2.gz LRZRUDAGXFIQSX-CYBMUJFWSA-N -1 3 385.453 0.978 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@H](Cc3ccncc3)C2)c(-c2nn[n-]n2)c1 ZINC000826394485 948203595 /nfs/dbraw/zinc/20/35/95/948203595.db2.gz LRZRUDAGXFIQSX-CYBMUJFWSA-N -1 3 385.453 0.978 20 0 GCADHM CC(=O)N1CCC(CO[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001573433544 948203627 /nfs/dbraw/zinc/20/36/27/948203627.db2.gz MAFOCNUUVOJIHY-HNNXBMFYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CCC(CO[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001573433544 948203633 /nfs/dbraw/zinc/20/36/33/948203633.db2.gz MAFOCNUUVOJIHY-HNNXBMFYSA-N -1 3 387.444 0.684 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@H](Cc3ccncc3)C2)c(-c2nnn[n-]2)c1 ZINC000826394486 948203728 /nfs/dbraw/zinc/20/37/28/948203728.db2.gz LRZRUDAGXFIQSX-ZDUSSCGKSA-N -1 3 385.453 0.978 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@H](Cc3ccncc3)C2)c(-c2nn[n-]n2)c1 ZINC000826394486 948203737 /nfs/dbraw/zinc/20/37/37/948203737.db2.gz LRZRUDAGXFIQSX-ZDUSSCGKSA-N -1 3 385.453 0.978 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573434322 948213159 /nfs/dbraw/zinc/21/31/59/948213159.db2.gz QINDLHOXCGUIEH-KPZWWZAWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573434322 948213168 /nfs/dbraw/zinc/21/31/68/948213168.db2.gz QINDLHOXCGUIEH-KPZWWZAWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@H](N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)C1 ZINC001573434779 948220065 /nfs/dbraw/zinc/22/00/65/948220065.db2.gz WLXDUAWVLAGMHP-SNVBAGLBSA-N -1 3 382.881 0.719 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573434925 948221981 /nfs/dbraw/zinc/22/19/81/948221981.db2.gz SMZIYBWTDJAFEM-KPZWWZAWSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573434925 948221988 /nfs/dbraw/zinc/22/19/88/948221988.db2.gz SMZIYBWTDJAFEM-KPZWWZAWSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573434934 948222028 /nfs/dbraw/zinc/22/20/28/948222028.db2.gz STAVJXQLBGEMQY-XIKOKIGWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573434934 948222033 /nfs/dbraw/zinc/22/20/33/948222033.db2.gz STAVJXQLBGEMQY-XIKOKIGWSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccsc1 ZINC001573690229 948223221 /nfs/dbraw/zinc/22/32/21/948223221.db2.gz BQRHGQNBKLGBLZ-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccsc1 ZINC001573690229 948223229 /nfs/dbraw/zinc/22/32/29/948223229.db2.gz BQRHGQNBKLGBLZ-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573690560 948225249 /nfs/dbraw/zinc/22/52/49/948225249.db2.gz DPPXOOGANCBSPH-CMPLNLGQSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573690560 948225255 /nfs/dbraw/zinc/22/52/55/948225255.db2.gz DPPXOOGANCBSPH-CMPLNLGQSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1)C1CC1 ZINC001573690310 948225297 /nfs/dbraw/zinc/22/52/97/948225297.db2.gz CVEIPNTWWAGQRG-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1)C1CC1 ZINC001573690310 948225307 /nfs/dbraw/zinc/22/53/07/948225307.db2.gz CVEIPNTWWAGQRG-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573690568 948225934 /nfs/dbraw/zinc/22/59/34/948225934.db2.gz DPWOREMXBRUOCQ-BXKDBHETSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573690568 948225942 /nfs/dbraw/zinc/22/59/42/948225942.db2.gz DPWOREMXBRUOCQ-BXKDBHETSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CCC([C@H]2OCCC[C@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573435118 948227137 /nfs/dbraw/zinc/22/71/37/948227137.db2.gz ZOOCCFJXOBWRKU-GDBMZVCRSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC([C@H]2OCCC[C@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573435118 948227148 /nfs/dbraw/zinc/22/71/48/948227148.db2.gz ZOOCCFJXOBWRKU-GDBMZVCRSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573435312 948227992 /nfs/dbraw/zinc/22/79/92/948227992.db2.gz VOIAHHZENNDACB-IBGZPJMESA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573435312 948227998 /nfs/dbraw/zinc/22/79/98/948227998.db2.gz VOIAHHZENNDACB-IBGZPJMESA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573435449 948228316 /nfs/dbraw/zinc/22/83/16/948228316.db2.gz WWRFGCLDJLMGEH-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573435449 948228326 /nfs/dbraw/zinc/22/83/26/948228326.db2.gz WWRFGCLDJLMGEH-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573435524 948230556 /nfs/dbraw/zinc/23/05/56/948230556.db2.gz YBNQJDRLQBBKRA-GOSISDBHSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573435524 948230569 /nfs/dbraw/zinc/23/05/69/948230569.db2.gz YBNQJDRLQBBKRA-GOSISDBHSA-N -1 3 386.460 0.415 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CC1 ZINC001573691128 948236711 /nfs/dbraw/zinc/23/67/11/948236711.db2.gz HQQHSGLBVMPPMJ-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CC1 ZINC001573691128 948236722 /nfs/dbraw/zinc/23/67/22/948236722.db2.gz HQQHSGLBVMPPMJ-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573438610 948237535 /nfs/dbraw/zinc/23/75/35/948237535.db2.gz CZXYPLXWUZTYHF-OCCSQVGLSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573438610 948237548 /nfs/dbraw/zinc/23/75/48/948237548.db2.gz CZXYPLXWUZTYHF-OCCSQVGLSA-N -1 3 386.460 0.779 20 0 GCADHM O=C(CCNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)Nc1cccnc1 ZINC000826408216 948242573 /nfs/dbraw/zinc/24/25/73/948242573.db2.gz VNSCJZRGTOPGPU-UHFFFAOYSA-N -1 3 387.425 0.710 20 0 GCADHM O=C(CCNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1cccnc1 ZINC000826408216 948242581 /nfs/dbraw/zinc/24/25/81/948242581.db2.gz VNSCJZRGTOPGPU-UHFFFAOYSA-N -1 3 387.425 0.710 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573439203 948243598 /nfs/dbraw/zinc/24/35/98/948243598.db2.gz JMGAIIKKGJIWKK-GFCCVEGCSA-N -1 3 390.423 0.530 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573439203 948243609 /nfs/dbraw/zinc/24/36/09/948243609.db2.gz JMGAIIKKGJIWKK-GFCCVEGCSA-N -1 3 390.423 0.530 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573691712 948245363 /nfs/dbraw/zinc/24/53/63/948245363.db2.gz JQPGMDLSAONMBH-CMPLNLGQSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573691712 948245370 /nfs/dbraw/zinc/24/53/70/948245370.db2.gz JQPGMDLSAONMBH-CMPLNLGQSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccs1 ZINC001573691742 948245857 /nfs/dbraw/zinc/24/58/57/948245857.db2.gz JQVDOFTVPMQBJG-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccs1 ZINC001573691742 948245868 /nfs/dbraw/zinc/24/58/68/948245868.db2.gz JQVDOFTVPMQBJG-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CC[C@@H](OCC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573439553 948246740 /nfs/dbraw/zinc/24/67/40/948246740.db2.gz MIBADBWXTKPFFF-OAHLLOKOSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CC[C@@H](OCC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573439553 948246746 /nfs/dbraw/zinc/24/67/46/948246746.db2.gz MIBADBWXTKPFFF-OAHLLOKOSA-N -1 3 387.444 0.684 20 0 GCADHM O=C(CN1CCCC1=O)Nc1cccc(OC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826410777 948247028 /nfs/dbraw/zinc/24/70/28/948247028.db2.gz YFKJEBNNMVBYPU-UHFFFAOYSA-N -1 3 395.379 0.975 20 0 GCADHM O=C(CN1CCCC1=O)Nc1cccc(OC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826410777 948247036 /nfs/dbraw/zinc/24/70/36/948247036.db2.gz YFKJEBNNMVBYPU-UHFFFAOYSA-N -1 3 395.379 0.975 20 0 GCADHM CC(=O)N1CC[C@@H](OCC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573439689 948248322 /nfs/dbraw/zinc/24/83/22/948248322.db2.gz PFODEZULSSUHSG-OAHLLOKOSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CC[C@@H](OCC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573439689 948248326 /nfs/dbraw/zinc/24/83/26/948248326.db2.gz PFODEZULSSUHSG-OAHLLOKOSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573691923 948249288 /nfs/dbraw/zinc/24/92/88/948249288.db2.gz LCWDQQPLEIMZJL-MFKMUULPSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573691923 948249299 /nfs/dbraw/zinc/24/92/99/948249299.db2.gz LCWDQQPLEIMZJL-MFKMUULPSA-N -1 3 375.433 0.228 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000826413918 948254058 /nfs/dbraw/zinc/25/40/58/948254058.db2.gz WSASCOWHKDPYIK-CYBMUJFWSA-N -1 3 378.396 0.595 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000826413918 948254063 /nfs/dbraw/zinc/25/40/63/948254063.db2.gz WSASCOWHKDPYIK-CYBMUJFWSA-N -1 3 378.396 0.595 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573692143 948255668 /nfs/dbraw/zinc/25/56/68/948255668.db2.gz MMGKWYUKGHRPRM-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573692143 948255675 /nfs/dbraw/zinc/25/56/75/948255675.db2.gz MMGKWYUKGHRPRM-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573440055 948257940 /nfs/dbraw/zinc/25/79/40/948257940.db2.gz YZEPJQBMNGRSOJ-HUUCEWRRSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573440055 948257947 /nfs/dbraw/zinc/25/79/47/948257947.db2.gz YZEPJQBMNGRSOJ-HUUCEWRRSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cnn(C)c1 ZINC001573692840 948272025 /nfs/dbraw/zinc/27/20/25/948272025.db2.gz SFBPEOSUPKGPAK-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cnn(C)c1 ZINC001573692840 948272031 /nfs/dbraw/zinc/27/20/31/948272031.db2.gz SFBPEOSUPKGPAK-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)c1cccnc1 ZINC001573693382 948282916 /nfs/dbraw/zinc/28/29/16/948282916.db2.gz SUONGTWLHOAFRT-GWCFXTLKSA-N -1 3 386.391 0.489 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)c1cccnc1 ZINC001573693382 948282922 /nfs/dbraw/zinc/28/29/22/948282922.db2.gz SUONGTWLHOAFRT-GWCFXTLKSA-N -1 3 386.391 0.489 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1)C1CC1 ZINC001573693781 948288042 /nfs/dbraw/zinc/28/80/42/948288042.db2.gz TZFKBWFZSWMEHF-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1)C1CC1 ZINC001573693781 948288049 /nfs/dbraw/zinc/28/80/49/948288049.db2.gz TZFKBWFZSWMEHF-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826435532 948289973 /nfs/dbraw/zinc/28/99/73/948289973.db2.gz QJXUMIZAYHLZBK-CQSZACIVSA-N -1 3 386.412 0.997 20 0 GCADHM O=C(NC[C@@H]1COC2(CCCCC2)O1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826435532 948289980 /nfs/dbraw/zinc/28/99/80/948289980.db2.gz QJXUMIZAYHLZBK-CQSZACIVSA-N -1 3 386.412 0.997 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442349 948291618 /nfs/dbraw/zinc/29/16/18/948291618.db2.gz HCCDUDMCVDQPLB-DOMZBBRYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442349 948291625 /nfs/dbraw/zinc/29/16/25/948291625.db2.gz HCCDUDMCVDQPLB-DOMZBBRYSA-N -1 3 386.460 0.827 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCCc1cnc(C2CC2)nc1 ZINC000826438350 948295755 /nfs/dbraw/zinc/29/57/55/948295755.db2.gz YXCDOKJPYHVXDP-UHFFFAOYSA-N -1 3 394.443 0.883 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCCc1cnc(C2CC2)nc1 ZINC000826438350 948295766 /nfs/dbraw/zinc/29/57/66/948295766.db2.gz YXCDOKJPYHVXDP-UHFFFAOYSA-N -1 3 394.443 0.883 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573694701 948297444 /nfs/dbraw/zinc/29/74/44/948297444.db2.gz DAPQYLSXOVLKTL-HWPZZCPQSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573694701 948297452 /nfs/dbraw/zinc/29/74/52/948297452.db2.gz DAPQYLSXOVLKTL-HWPZZCPQSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@@H](C(=O)NCC1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573694709 948298425 /nfs/dbraw/zinc/29/84/25/948298425.db2.gz DBCSOXAYAOHQMY-HIFPTAJRSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NCC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573694709 948298434 /nfs/dbraw/zinc/29/84/34/948298434.db2.gz DBCSOXAYAOHQMY-HIFPTAJRSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573443839 948308821 /nfs/dbraw/zinc/30/88/21/948308821.db2.gz PUOWWUYSTIQIKB-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573443839 948308825 /nfs/dbraw/zinc/30/88/25/948308825.db2.gz PUOWWUYSTIQIKB-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cccc1 ZINC001573695817 948312262 /nfs/dbraw/zinc/31/22/62/948312262.db2.gz IXLXFKGYVCWBOF-FZKQIMNGSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cccc1 ZINC001573695817 948312270 /nfs/dbraw/zinc/31/22/70/948312270.db2.gz IXLXFKGYVCWBOF-FZKQIMNGSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573696006 948312828 /nfs/dbraw/zinc/31/28/28/948312828.db2.gz KBCPDMPWZNMFGO-NSHDSACASA-N -1 3 380.399 0.821 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573696006 948312836 /nfs/dbraw/zinc/31/28/36/948312836.db2.gz KBCPDMPWZNMFGO-NSHDSACASA-N -1 3 380.399 0.821 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573444365 948313161 /nfs/dbraw/zinc/31/31/61/948313161.db2.gz SPHHFCZDWBCJAM-OCCSQVGLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573444365 948313170 /nfs/dbraw/zinc/31/31/70/948313170.db2.gz SPHHFCZDWBCJAM-OCCSQVGLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573444451 948316001 /nfs/dbraw/zinc/31/60/01/948316001.db2.gz VCSMCZNUHXXNKC-CQSZACIVSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573444451 948316011 /nfs/dbraw/zinc/31/60/11/948316011.db2.gz VCSMCZNUHXXNKC-CQSZACIVSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573445228 948321852 /nfs/dbraw/zinc/32/18/52/948321852.db2.gz YWGDXKUDQPKQBN-JSGCOSHPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573445228 948321860 /nfs/dbraw/zinc/32/18/60/948321860.db2.gz YWGDXKUDQPKQBN-JSGCOSHPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573445117 948322755 /nfs/dbraw/zinc/32/27/55/948322755.db2.gz YPDWVWYYDRMQBQ-RBSFLKMASA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573445117 948322764 /nfs/dbraw/zinc/32/27/64/948322764.db2.gz YPDWVWYYDRMQBQ-RBSFLKMASA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC001573446235 948326789 /nfs/dbraw/zinc/32/67/89/948326789.db2.gz BCIZKGZWLRTOJE-CQSZACIVSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC001573446235 948326798 /nfs/dbraw/zinc/32/67/98/948326798.db2.gz BCIZKGZWLRTOJE-CQSZACIVSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573446449 948328533 /nfs/dbraw/zinc/32/85/33/948328533.db2.gz GUBHQFHGCIURMY-LSDHHAIUSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573446449 948328542 /nfs/dbraw/zinc/32/85/42/948328542.db2.gz GUBHQFHGCIURMY-LSDHHAIUSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573696530 948328847 /nfs/dbraw/zinc/32/88/47/948328847.db2.gz RSXQTDOFHDEBDB-SCLBCKFNSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573696530 948328856 /nfs/dbraw/zinc/32/88/56/948328856.db2.gz RSXQTDOFHDEBDB-SCLBCKFNSA-N -1 3 382.428 0.382 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573446443 948329871 /nfs/dbraw/zinc/32/98/71/948329871.db2.gz GJUJYKJYOUZMRD-MRXNPFEDSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573446443 948329878 /nfs/dbraw/zinc/32/98/78/948329878.db2.gz GJUJYKJYOUZMRD-MRXNPFEDSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573446419 948330334 /nfs/dbraw/zinc/33/03/34/948330334.db2.gz FEYWGQBIEDAMHJ-QMTHXVAHSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573446419 948330348 /nfs/dbraw/zinc/33/03/48/948330348.db2.gz FEYWGQBIEDAMHJ-QMTHXVAHSA-N -1 3 390.423 0.353 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCCC1 ZINC001573696666 948330550 /nfs/dbraw/zinc/33/05/50/948330550.db2.gz VDFCIVZVEKCGSN-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCCC1 ZINC001573696666 948330557 /nfs/dbraw/zinc/33/05/57/948330557.db2.gz VDFCIVZVEKCGSN-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573696629 948330736 /nfs/dbraw/zinc/33/07/36/948330736.db2.gz UAYONIXXRANVBH-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573696629 948330741 /nfs/dbraw/zinc/33/07/41/948330741.db2.gz UAYONIXXRANVBH-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573696824 948333798 /nfs/dbraw/zinc/33/37/98/948333798.db2.gz XNECXHVEGRXQLV-BBATYDOGSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573696824 948333805 /nfs/dbraw/zinc/33/38/05/948333805.db2.gz XNECXHVEGRXQLV-BBATYDOGSA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573446617 948334476 /nfs/dbraw/zinc/33/44/76/948334476.db2.gz KOSCKWHZXAVROT-QGZVFWFLSA-N -1 3 383.456 0.520 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573446617 948334485 /nfs/dbraw/zinc/33/44/85/948334485.db2.gz KOSCKWHZXAVROT-QGZVFWFLSA-N -1 3 383.456 0.520 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573446738 948335133 /nfs/dbraw/zinc/33/51/33/948335133.db2.gz OYSGGWNBSYHCOW-HFBAOOFYSA-N -1 3 398.471 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573446738 948335142 /nfs/dbraw/zinc/33/51/42/948335142.db2.gz OYSGGWNBSYHCOW-HFBAOOFYSA-N -1 3 398.471 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573446696 948336962 /nfs/dbraw/zinc/33/69/62/948336962.db2.gz NAQFPHFTLMXMMU-XHDPSFHLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573446696 948336967 /nfs/dbraw/zinc/33/69/67/948336967.db2.gz NAQFPHFTLMXMMU-XHDPSFHLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573446899 948338350 /nfs/dbraw/zinc/33/83/50/948338350.db2.gz RDALZWVIWGIVJO-ZBCRRDGASA-N -1 3 384.444 0.674 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573446899 948338358 /nfs/dbraw/zinc/33/83/58/948338358.db2.gz RDALZWVIWGIVJO-ZBCRRDGASA-N -1 3 384.444 0.674 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573701408 948339159 /nfs/dbraw/zinc/33/91/59/948339159.db2.gz ABTKQCBRXBINKP-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573701408 948339166 /nfs/dbraw/zinc/33/91/66/948339166.db2.gz ABTKQCBRXBINKP-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573447101 948340802 /nfs/dbraw/zinc/34/08/02/948340802.db2.gz VIJJHVJUHAWICV-OAHLLOKOSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573447101 948340809 /nfs/dbraw/zinc/34/08/09/948340809.db2.gz VIJJHVJUHAWICV-OAHLLOKOSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573447062 948340890 /nfs/dbraw/zinc/34/08/90/948340890.db2.gz SZIABTGMMLAOBF-IAQYHMDHSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573447062 948340897 /nfs/dbraw/zinc/34/08/97/948340897.db2.gz SZIABTGMMLAOBF-IAQYHMDHSA-N -1 3 386.460 0.888 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573701950 948341668 /nfs/dbraw/zinc/34/16/68/948341668.db2.gz BTJWNRPLCIHGIC-VXGBXAGGSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573701950 948341679 /nfs/dbraw/zinc/34/16/79/948341679.db2.gz BTJWNRPLCIHGIC-VXGBXAGGSA-N -1 3 385.407 0.944 20 0 GCADHM O=C(Nc1cnn(-c2ncccn2)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826459250 948343552 /nfs/dbraw/zinc/34/35/52/948343552.db2.gz BTXCHEJOSZRRBE-UHFFFAOYSA-N -1 3 394.330 0.559 20 0 GCADHM O=C(Nc1cnn(-c2ncccn2)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826459250 948343556 /nfs/dbraw/zinc/34/35/56/948343556.db2.gz BTXCHEJOSZRRBE-UHFFFAOYSA-N -1 3 394.330 0.559 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573703132 948351762 /nfs/dbraw/zinc/35/17/62/948351762.db2.gz IFAGLFMVAKKKJF-OCCSQVGLSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573703132 948351771 /nfs/dbraw/zinc/35/17/71/948351771.db2.gz IFAGLFMVAKKKJF-OCCSQVGLSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573702948 948351987 /nfs/dbraw/zinc/35/19/87/948351987.db2.gz HTDLULDIOSIPBQ-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573702948 948351995 /nfs/dbraw/zinc/35/19/95/948351995.db2.gz HTDLULDIOSIPBQ-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573703681 948358038 /nfs/dbraw/zinc/35/80/38/948358038.db2.gz LYXFXPANNCCQEW-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573703681 948358046 /nfs/dbraw/zinc/35/80/46/948358046.db2.gz LYXFXPANNCCQEW-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NCC1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573704210 948367457 /nfs/dbraw/zinc/36/74/57/948367457.db2.gz QOSFOLOMODXOQU-BMQDGWLCSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](C(=O)NCC1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573704210 948367467 /nfs/dbraw/zinc/36/74/67/948367467.db2.gz QOSFOLOMODXOQU-BMQDGWLCSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001573704249 948368879 /nfs/dbraw/zinc/36/88/79/948368879.db2.gz QYSXHISDWLSRIA-JSGCOSHPSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001573704249 948368886 /nfs/dbraw/zinc/36/88/86/948368886.db2.gz QYSXHISDWLSRIA-JSGCOSHPSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573704414 948371541 /nfs/dbraw/zinc/37/15/41/948371541.db2.gz RWHLURBHENSCBN-DOMZBBRYSA-N -1 3 392.485 0.380 20 0 GCADHM O=C1[C@H](N2CCN([C@H]3CCOC3)CC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476440 948382166 /nfs/dbraw/zinc/38/21/66/948382166.db2.gz HUUILNCAYRRDHP-ZWKOTPCHSA-N -1 3 397.483 0.769 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573704816 948383395 /nfs/dbraw/zinc/38/33/95/948383395.db2.gz ATHJYAZNUVXFCI-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573704816 948383404 /nfs/dbraw/zinc/38/34/04/948383404.db2.gz ATHJYAZNUVXFCI-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573704818 948383747 /nfs/dbraw/zinc/38/37/47/948383747.db2.gz ATHJYAZNUVXFCI-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573704818 948383754 /nfs/dbraw/zinc/38/37/54/948383754.db2.gz ATHJYAZNUVXFCI-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM O=C1CC[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826477051 948384869 /nfs/dbraw/zinc/38/48/69/948384869.db2.gz UUPIWYUKOGBRNB-HZPDHXFCSA-N -1 3 381.440 0.669 20 0 GCADHM O=C1CC[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826477051 948384873 /nfs/dbraw/zinc/38/48/73/948384873.db2.gz UUPIWYUKOGBRNB-HZPDHXFCSA-N -1 3 381.440 0.669 20 0 GCADHM O=C1CC[C@H]2CN([C@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826477050 948385194 /nfs/dbraw/zinc/38/51/94/948385194.db2.gz UUPIWYUKOGBRNB-HOTGVXAUSA-N -1 3 381.440 0.669 20 0 GCADHM O=C1CC[C@H]2CN([C@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826477050 948385197 /nfs/dbraw/zinc/38/51/97/948385197.db2.gz UUPIWYUKOGBRNB-HOTGVXAUSA-N -1 3 381.440 0.669 20 0 GCADHM C[C@H](C(=O)NC/C=C\CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001573704906 948387710 /nfs/dbraw/zinc/38/77/10/948387710.db2.gz BUIGOWQFCNULAF-BYCRGOAPSA-N -1 3 383.416 0.134 20 0 GCADHM C[C@H](C(=O)NC/C=C\CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001573704906 948387717 /nfs/dbraw/zinc/38/77/17/948387717.db2.gz BUIGOWQFCNULAF-BYCRGOAPSA-N -1 3 383.416 0.134 20 0 GCADHM C[C@@H](C(=O)NCC1CC(Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573705036 948388714 /nfs/dbraw/zinc/38/87/14/948388714.db2.gz VFQDABSWPZUGNE-WHXUTIOJSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NCC1CC(Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573705036 948388724 /nfs/dbraw/zinc/38/87/24/948388724.db2.gz VFQDABSWPZUGNE-WHXUTIOJSA-N -1 3 379.446 0.002 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N[C@@H]1CCC(=O)NC1=O ZINC000826479684 948391919 /nfs/dbraw/zinc/39/19/19/948391919.db2.gz FRXDYELVPTVVPG-SECBINFHSA-N -1 3 399.346 0.118 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573705218 948393334 /nfs/dbraw/zinc/39/33/34/948393334.db2.gz DMHKGWJWADZCAY-MFKMUULPSA-N -1 3 375.408 0.768 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573705218 948393341 /nfs/dbraw/zinc/39/33/41/948393341.db2.gz DMHKGWJWADZCAY-MFKMUULPSA-N -1 3 375.408 0.768 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573705155 948394245 /nfs/dbraw/zinc/39/42/45/948394245.db2.gz GCTXOGDICDBEAK-FZMZJTMJSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573705155 948394251 /nfs/dbraw/zinc/39/42/51/948394251.db2.gz GCTXOGDICDBEAK-FZMZJTMJSA-N -1 3 385.407 0.549 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490079 948402412 /nfs/dbraw/zinc/40/24/12/948402412.db2.gz JKTIPLOXEYWJBP-NEPJUHHUSA-N -1 3 382.421 0.147 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490080 948402565 /nfs/dbraw/zinc/40/25/65/948402565.db2.gz JKTIPLOXEYWJBP-NWDGAFQWSA-N -1 3 382.421 0.147 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826489943 948402635 /nfs/dbraw/zinc/40/26/35/948402635.db2.gz FIDIHOUIUALSTK-NWDGAFQWSA-N -1 3 398.876 0.662 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490404 948404136 /nfs/dbraw/zinc/40/41/36/948404136.db2.gz UOILIPIZVUVXBC-GHMZBOCLSA-N -1 3 382.421 0.147 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490404 948404139 /nfs/dbraw/zinc/40/41/39/948404139.db2.gz UOILIPIZVUVXBC-GHMZBOCLSA-N -1 3 382.421 0.147 20 0 GCADHM C[C@@H](C(=O)NCCC1(CNc2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573705604 948404227 /nfs/dbraw/zinc/40/42/27/948404227.db2.gz GHVRTMFNAZSUFI-LBPRGKRZSA-N -1 3 382.432 0.813 20 0 GCADHM C[C@@H](C(=O)NCCC1(CNc2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573705604 948404230 /nfs/dbraw/zinc/40/42/30/948404230.db2.gz GHVRTMFNAZSUFI-LBPRGKRZSA-N -1 3 382.432 0.813 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490405 948404957 /nfs/dbraw/zinc/40/49/57/948404957.db2.gz UOILIPIZVUVXBC-MNOVXSKESA-N -1 3 382.421 0.147 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490405 948404962 /nfs/dbraw/zinc/40/49/62/948404962.db2.gz UOILIPIZVUVXBC-MNOVXSKESA-N -1 3 382.421 0.147 20 0 GCADHM O=S1(=O)CCN(C2CCN(Cc3cc(-c4nnn[n-]4)ccc3F)CC2)CC1 ZINC000826496866 948409959 /nfs/dbraw/zinc/40/99/59/948409959.db2.gz MBQUIOHYKGZVHF-UHFFFAOYSA-N -1 3 394.476 0.701 20 0 GCADHM O=S1(=O)CCN(C2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)CC2)CC1 ZINC000826496866 948409961 /nfs/dbraw/zinc/40/99/61/948409961.db2.gz MBQUIOHYKGZVHF-UHFFFAOYSA-N -1 3 394.476 0.701 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573706000 948411707 /nfs/dbraw/zinc/41/17/07/948411707.db2.gz HYPVENXZXXBDQC-OCCSQVGLSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573706000 948411714 /nfs/dbraw/zinc/41/17/14/948411714.db2.gz HYPVENXZXXBDQC-OCCSQVGLSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573706055 948411792 /nfs/dbraw/zinc/41/17/92/948411792.db2.gz JLLSLERRVGNEMS-DGCLKSJQSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573706055 948411797 /nfs/dbraw/zinc/41/17/97/948411797.db2.gz JLLSLERRVGNEMS-DGCLKSJQSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573706429 948418757 /nfs/dbraw/zinc/41/87/57/948418757.db2.gz KOGOOJVMZRXNLX-STQMWFEESA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573706429 948418763 /nfs/dbraw/zinc/41/87/63/948418763.db2.gz KOGOOJVMZRXNLX-STQMWFEESA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573706427 948419536 /nfs/dbraw/zinc/41/95/36/948419536.db2.gz KOGOOJVMZRXNLX-QWHCGFSZSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573706427 948419543 /nfs/dbraw/zinc/41/95/43/948419543.db2.gz KOGOOJVMZRXNLX-QWHCGFSZSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)n1cccn1 ZINC001573706813 948424673 /nfs/dbraw/zinc/42/46/73/948424673.db2.gz LFMOWKVYFKXNRI-JSGCOSHPSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)n1cccn1 ZINC001573706813 948424678 /nfs/dbraw/zinc/42/46/78/948424678.db2.gz LFMOWKVYFKXNRI-JSGCOSHPSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC001573706764 948425078 /nfs/dbraw/zinc/42/50/78/948425078.db2.gz LENBHZMBDLFEQS-MWLCHTKSSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC001573706764 948425084 /nfs/dbraw/zinc/42/50/84/948425084.db2.gz LENBHZMBDLFEQS-MWLCHTKSSA-N -1 3 385.350 0.782 20 0 GCADHM OCC1(CNc2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)COC1 ZINC000826508557 948428264 /nfs/dbraw/zinc/42/82/64/948428264.db2.gz SXLAUFNSGDHXOR-UHFFFAOYSA-N -1 3 378.339 0.859 20 0 GCADHM OCC1(CNc2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)COC1 ZINC000826508557 948428271 /nfs/dbraw/zinc/42/82/71/948428271.db2.gz SXLAUFNSGDHXOR-UHFFFAOYSA-N -1 3 378.339 0.859 20 0 GCADHM C[C@H](C(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573707203 948430478 /nfs/dbraw/zinc/43/04/78/948430478.db2.gz NBVJJZMZTHCTEH-JDGPPOGSSA-N -1 3 387.444 0.660 20 0 GCADHM C[C@H](C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573707203 948430482 /nfs/dbraw/zinc/43/04/82/948430482.db2.gz NBVJJZMZTHCTEH-JDGPPOGSSA-N -1 3 387.444 0.660 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573707460 948433795 /nfs/dbraw/zinc/43/37/95/948433795.db2.gz PBWOBZHKLBWVSE-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573707460 948433797 /nfs/dbraw/zinc/43/37/97/948433797.db2.gz PBWOBZHKLBWVSE-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)n1cccc1 ZINC001573707588 948437474 /nfs/dbraw/zinc/43/74/74/948437474.db2.gz OTTGUIAKKKYJSY-HIFRSBDPSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)n1cccc1 ZINC001573707588 948437481 /nfs/dbraw/zinc/43/74/81/948437481.db2.gz OTTGUIAKKKYJSY-HIFRSBDPSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001573708089 948443332 /nfs/dbraw/zinc/44/33/32/948443332.db2.gz RNUONGDSGIOKQT-UKRRQHHQSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001573708089 948443336 /nfs/dbraw/zinc/44/33/36/948443336.db2.gz RNUONGDSGIOKQT-UKRRQHHQSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NCC1CCN(c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573708143 948445026 /nfs/dbraw/zinc/44/50/26/948445026.db2.gz RWJRNNGHNDKIIP-GFCCVEGCSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NCC1CCN(c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573708143 948445035 /nfs/dbraw/zinc/44/50/35/948445035.db2.gz RWJRNNGHNDKIIP-GFCCVEGCSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cncnc1 ZINC001573708226 948446324 /nfs/dbraw/zinc/44/63/24/948446324.db2.gz SBOZFCZIIBBHRT-OTDNITJGSA-N -1 3 381.400 0.191 20 0 GCADHM C[C@@H](C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cncnc1 ZINC001573708226 948446329 /nfs/dbraw/zinc/44/63/29/948446329.db2.gz SBOZFCZIIBBHRT-OTDNITJGSA-N -1 3 381.400 0.191 20 0 GCADHM C[C@@H](C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCC(=O)N1 ZINC001573708276 948446637 /nfs/dbraw/zinc/44/66/37/948446637.db2.gz SOMFXEXFLCWDKH-ZWNOBZJWSA-N -1 3 389.485 0.391 20 0 GCADHM C[C@@H](C(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cncnc1 ZINC001573708225 948447239 /nfs/dbraw/zinc/44/72/39/948447239.db2.gz SBOZFCZIIBBHRT-KXMPLOMGSA-N -1 3 381.400 0.191 20 0 GCADHM C[C@@H](C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cncnc1 ZINC001573708225 948447243 /nfs/dbraw/zinc/44/72/43/948447243.db2.gz SBOZFCZIIBBHRT-KXMPLOMGSA-N -1 3 381.400 0.191 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573708379 948450169 /nfs/dbraw/zinc/45/01/69/948450169.db2.gz UNHZQDHLZRUHGS-CHWSQXEVSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573708379 948450173 /nfs/dbraw/zinc/45/01/73/948450173.db2.gz UNHZQDHLZRUHGS-CHWSQXEVSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573708508 948452069 /nfs/dbraw/zinc/45/20/69/948452069.db2.gz VYIAGEJMLMAKHR-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573708508 948452075 /nfs/dbraw/zinc/45/20/75/948452075.db2.gz VYIAGEJMLMAKHR-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)c1ccco1 ZINC001573708658 948455779 /nfs/dbraw/zinc/45/57/79/948455779.db2.gz WVQSVWNIYAAVSG-TZMCWYRMSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)c1ccco1 ZINC001573708658 948455785 /nfs/dbraw/zinc/45/57/85/948455785.db2.gz WVQSVWNIYAAVSG-TZMCWYRMSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)C(C)(F)F ZINC001573708730 948457911 /nfs/dbraw/zinc/45/79/11/948457911.db2.gz XPSFZNQSICAILY-ZYHUDNBSSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)C(C)(F)F ZINC001573708730 948457915 /nfs/dbraw/zinc/45/79/15/948457915.db2.gz XPSFZNQSICAILY-ZYHUDNBSSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)C(C)(F)F ZINC001573708881 948462132 /nfs/dbraw/zinc/46/21/32/948462132.db2.gz YAYDMHWSXXZXQF-GHMZBOCLSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)C(C)(F)F ZINC001573708881 948462134 /nfs/dbraw/zinc/46/21/34/948462134.db2.gz YAYDMHWSXXZXQF-GHMZBOCLSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccc1 ZINC001573714352 948472262 /nfs/dbraw/zinc/47/22/62/948472262.db2.gz GJAVQMQDZBAHJE-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccc1 ZINC001573714352 948472271 /nfs/dbraw/zinc/47/22/71/948472271.db2.gz GJAVQMQDZBAHJE-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573714497 948473195 /nfs/dbraw/zinc/47/31/95/948473195.db2.gz HHOOVORCVAEDQD-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573714497 948473205 /nfs/dbraw/zinc/47/32/05/948473205.db2.gz HHOOVORCVAEDQD-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccn1 ZINC001573714688 948474148 /nfs/dbraw/zinc/47/41/48/948474148.db2.gz IPRPHOKNEKQXTF-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccn1 ZINC001573714688 948474156 /nfs/dbraw/zinc/47/41/56/948474156.db2.gz IPRPHOKNEKQXTF-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCC(=O)N1 ZINC001573715176 948483776 /nfs/dbraw/zinc/48/37/76/948483776.db2.gz QGUCWLCIXZSMDH-CMPLNLGQSA-N -1 3 377.474 0.391 20 0 GCADHM C[C@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCC(=O)N1 ZINC001573715563 948493812 /nfs/dbraw/zinc/49/38/12/948493812.db2.gz ZECICPOYFQNSJB-NHYWBVRUSA-N -1 3 389.435 0.469 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573717500 948507653 /nfs/dbraw/zinc/50/76/53/948507653.db2.gz DHBBZDXIDCWVLC-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573717500 948507658 /nfs/dbraw/zinc/50/76/58/948507658.db2.gz DHBBZDXIDCWVLC-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)NCCN(Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cncn1 ZINC001573717483 948508909 /nfs/dbraw/zinc/50/89/09/948508909.db2.gz CXGHEWZKQBPYIT-NSHDSACASA-N -1 3 387.473 0.862 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)C1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573718350 948515441 /nfs/dbraw/zinc/51/54/41/948515441.db2.gz QWJHKVLJTMLMHK-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)C1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573718350 948515446 /nfs/dbraw/zinc/51/54/46/948515446.db2.gz QWJHKVLJTMLMHK-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](C(=O)NCCN1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)C1CC1 ZINC001573718723 948519424 /nfs/dbraw/zinc/51/94/24/948519424.db2.gz JOYKJAMLEBTRCV-GFCCVEGCSA-N -1 3 388.451 0.685 20 0 GCADHM C[C@@H](C(=O)NCCN1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)C1CC1 ZINC001573718723 948519432 /nfs/dbraw/zinc/51/94/32/948519432.db2.gz JOYKJAMLEBTRCV-GFCCVEGCSA-N -1 3 388.451 0.685 20 0 GCADHM C[C@@H](C(=O)NCCN(Cc1ccccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573719185 948522681 /nfs/dbraw/zinc/52/26/81/948522681.db2.gz KSHPFSVEIFVDDE-LBPRGKRZSA-N -1 3 392.485 0.380 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)c2ccc(F)cc2O1 ZINC001452723884 948523064 /nfs/dbraw/zinc/52/30/64/948523064.db2.gz VXAVSBWCGIRTEG-CQSZACIVSA-N -1 3 384.327 0.982 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)c2ccc(F)cc2O1 ZINC001452723884 948523069 /nfs/dbraw/zinc/52/30/69/948523069.db2.gz VXAVSBWCGIRTEG-CQSZACIVSA-N -1 3 384.327 0.982 20 0 GCADHM C[C@@H](C(=O)NCCN1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573719192 948523101 /nfs/dbraw/zinc/52/31/01/948523101.db2.gz KVYDJRIMNZFAAC-GFCCVEGCSA-N -1 3 385.476 0.117 20 0 GCADHM C[C@@H](C(=O)NCCN1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573719192 948523106 /nfs/dbraw/zinc/52/31/06/948523106.db2.gz KVYDJRIMNZFAAC-GFCCVEGCSA-N -1 3 385.476 0.117 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573719205 948523585 /nfs/dbraw/zinc/52/35/85/948523585.db2.gz LAZRONFCRXWWDJ-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573719205 948523591 /nfs/dbraw/zinc/52/35/91/948523591.db2.gz LAZRONFCRXWWDJ-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)C1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573719346 948525595 /nfs/dbraw/zinc/52/55/95/948525595.db2.gz VLWDVSMFRDMZRE-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)C1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573719346 948525600 /nfs/dbraw/zinc/52/56/00/948525600.db2.gz VLWDVSMFRDMZRE-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](C(=O)NCCN1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573719710 948528105 /nfs/dbraw/zinc/52/81/05/948528105.db2.gz NYLNHYLKNXTDJG-LBPRGKRZSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@H](C(=O)NCCN1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573719710 948528109 /nfs/dbraw/zinc/52/81/09/948528109.db2.gz NYLNHYLKNXTDJG-LBPRGKRZSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573719713 948528183 /nfs/dbraw/zinc/52/81/83/948528183.db2.gz OAZKBEQCLDNLQN-GFCCVEGCSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573719713 948528189 /nfs/dbraw/zinc/52/81/89/948528189.db2.gz OAZKBEQCLDNLQN-GFCCVEGCSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)NCCN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)S(C)(=O)=O ZINC001573720933 948536688 /nfs/dbraw/zinc/53/66/88/948536688.db2.gz SZELMDBFJAOIQX-LBPRGKRZSA-N -1 3 392.485 0.380 20 0 GCADHM O=C1OCC[C@]12CCN(S(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)C2 ZINC001475801161 948537633 /nfs/dbraw/zinc/53/76/33/948537633.db2.gz MZTRZSWGSYXXQQ-AWEZNQCLSA-N -1 3 383.817 0.848 20 0 GCADHM O=C1OCC[C@]12CCN(S(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)C2 ZINC001475801161 948537639 /nfs/dbraw/zinc/53/76/39/948537639.db2.gz MZTRZSWGSYXXQQ-AWEZNQCLSA-N -1 3 383.817 0.848 20 0 GCADHM C[C@H](C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1)N(C)CC(F)(F)F ZINC001573721036 948537884 /nfs/dbraw/zinc/53/78/84/948537884.db2.gz VOODIQLRXKGJTG-SNVBAGLBSA-N -1 3 386.382 0.697 20 0 GCADHM C[C@H](C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1)N(C)CC(F)(F)F ZINC001573721036 948537887 /nfs/dbraw/zinc/53/78/87/948537887.db2.gz VOODIQLRXKGJTG-SNVBAGLBSA-N -1 3 386.382 0.697 20 0 GCADHM C[C@@H](C(=O)NCCN(Cc1cccc(-c2nn[n-]n2)c1)C1CC1)S(C)(=O)=O ZINC001573721643 948541438 /nfs/dbraw/zinc/54/14/38/948541438.db2.gz ZUGNWVVIHNTPEI-LBPRGKRZSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573725995 948546731 /nfs/dbraw/zinc/54/67/31/948546731.db2.gz FHHPRDXINOTFSN-CIQGVGRVSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573725995 948546740 /nfs/dbraw/zinc/54/67/40/948546740.db2.gz FHHPRDXINOTFSN-CIQGVGRVSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573725998 948548300 /nfs/dbraw/zinc/54/83/00/948548300.db2.gz FHHPRDXINOTFSN-NRWUCQMLSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573725998 948548307 /nfs/dbraw/zinc/54/83/07/948548307.db2.gz FHHPRDXINOTFSN-NRWUCQMLSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573728710 948563006 /nfs/dbraw/zinc/56/30/06/948563006.db2.gz QOSFOLOMODXOQU-FOGDFJRCSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573728710 948563011 /nfs/dbraw/zinc/56/30/11/948563011.db2.gz QOSFOLOMODXOQU-FOGDFJRCSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)C1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573729855 948571587 /nfs/dbraw/zinc/57/15/87/948571587.db2.gz VLWDVSMFRDMZRE-QWRGUYRKSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)C1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573729855 948571596 /nfs/dbraw/zinc/57/15/96/948571596.db2.gz VLWDVSMFRDMZRE-QWRGUYRKSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001573730002 948573211 /nfs/dbraw/zinc/57/32/11/948573211.db2.gz XOQFRJDHUSJDSO-MCYUEQNJSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001573730002 948573217 /nfs/dbraw/zinc/57/32/17/948573217.db2.gz XOQFRJDHUSJDSO-MCYUEQNJSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)n1cnc2c1ncnc2N ZINC001573730945 948585813 /nfs/dbraw/zinc/58/58/13/948585813.db2.gz TVWIZCPBXMVJKA-MRVPVSSYSA-N -1 3 382.363 0.605 20 0 GCADHM C[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)n1cnc2c1ncnc2N ZINC001573730945 948585818 /nfs/dbraw/zinc/58/58/18/948585818.db2.gz TVWIZCPBXMVJKA-MRVPVSSYSA-N -1 3 382.363 0.605 20 0 GCADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)s1)S(=O)(=O)C1CCOCC1 ZINC001573730937 948586317 /nfs/dbraw/zinc/58/63/17/948586317.db2.gz STOKNRBVUVLTNI-SECBINFHSA-N -1 3 385.471 0.527 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573736434 948615723 /nfs/dbraw/zinc/61/57/23/948615723.db2.gz SQZLIRCYZDINQP-IACUBPJLSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573736434 948615730 /nfs/dbraw/zinc/61/57/30/948615730.db2.gz SQZLIRCYZDINQP-IACUBPJLSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573739225 948617485 /nfs/dbraw/zinc/61/74/85/948617485.db2.gz BBPURHZEEGDMNU-ASEORRQLSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573739225 948617492 /nfs/dbraw/zinc/61/74/92/948617492.db2.gz BBPURHZEEGDMNU-ASEORRQLSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573739226 948617792 /nfs/dbraw/zinc/61/77/92/948617792.db2.gz BBPURHZEEGDMNU-ZRJCITRHSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573739226 948617795 /nfs/dbraw/zinc/61/77/95/948617795.db2.gz BBPURHZEEGDMNU-ZRJCITRHSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C)n1cncn1 ZINC001573739524 948618799 /nfs/dbraw/zinc/61/87/99/948618799.db2.gz DOGCBRIOQIOIPR-GIPNMCIBSA-N -1 3 386.395 0.194 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C)n1cncn1 ZINC001573739524 948618806 /nfs/dbraw/zinc/61/88/06/948618806.db2.gz DOGCBRIOQIOIPR-GIPNMCIBSA-N -1 3 386.395 0.194 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)C(F)(F)F ZINC001573739748 948622824 /nfs/dbraw/zinc/62/28/24/948622824.db2.gz ADJUMADKDKIQLN-ZOFUNIGCSA-N -1 3 388.325 0.870 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)C(F)(F)F ZINC001573739748 948622828 /nfs/dbraw/zinc/62/28/28/948622828.db2.gz ADJUMADKDKIQLN-ZOFUNIGCSA-N -1 3 388.325 0.870 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)C(F)(F)F ZINC001573739746 948622920 /nfs/dbraw/zinc/62/29/20/948622920.db2.gz ADJUMADKDKIQLN-NMLBEHRDSA-N -1 3 388.325 0.870 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)C(F)(F)F ZINC001573739746 948622922 /nfs/dbraw/zinc/62/29/22/948622922.db2.gz ADJUMADKDKIQLN-NMLBEHRDSA-N -1 3 388.325 0.870 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C(C)(C)C ZINC001573739808 948624240 /nfs/dbraw/zinc/62/42/40/948624240.db2.gz ARWJPVKCSWSFTM-ZWKOPEQDSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C(C)(C)C ZINC001573739808 948624242 /nfs/dbraw/zinc/62/42/42/948624242.db2.gz ARWJPVKCSWSFTM-ZWKOPEQDSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1cccnc1 ZINC001573739957 948625956 /nfs/dbraw/zinc/62/59/56/948625956.db2.gz JAWHNVQKPAOKQG-KCPJHIHWSA-N -1 3 380.412 0.126 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1cccnc1 ZINC001573739957 948625959 /nfs/dbraw/zinc/62/59/59/948625959.db2.gz JAWHNVQKPAOKQG-KCPJHIHWSA-N -1 3 380.412 0.126 20 0 GCADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573739901 948626256 /nfs/dbraw/zinc/62/62/56/948626256.db2.gz IJYFPJKHLAEJCB-NGFQHRJXSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573739901 948626263 /nfs/dbraw/zinc/62/62/63/948626263.db2.gz IJYFPJKHLAEJCB-NGFQHRJXSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573740482 948635857 /nfs/dbraw/zinc/63/58/57/948635857.db2.gz PWZPLMFRYXUSJB-UNJBNNCHSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573740482 948635858 /nfs/dbraw/zinc/63/58/58/948635858.db2.gz PWZPLMFRYXUSJB-UNJBNNCHSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)C(C)(F)F ZINC001573740759 948641095 /nfs/dbraw/zinc/64/10/95/948641095.db2.gz OCSUGRMZRKRXIN-FBIMIBRVSA-N -1 3 386.428 0.881 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)C(C)(F)F ZINC001573740759 948641099 /nfs/dbraw/zinc/64/10/99/948641099.db2.gz OCSUGRMZRKRXIN-FBIMIBRVSA-N -1 3 386.428 0.881 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1ccsc1 ZINC001573740966 948646911 /nfs/dbraw/zinc/64/69/11/948646911.db2.gz RHIUXESOXHEDLH-ZLKJLUDKSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1ccsc1 ZINC001573740966 948646916 /nfs/dbraw/zinc/64/69/16/948646916.db2.gz RHIUXESOXHEDLH-ZLKJLUDKSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)c1ccco1 ZINC001573741139 948650322 /nfs/dbraw/zinc/65/03/22/948650322.db2.gz TUEUTGZHCZBHSQ-RAIGVLPGSA-N -1 3 388.453 0.986 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)c1ccco1 ZINC001573741139 948650328 /nfs/dbraw/zinc/65/03/28/948650328.db2.gz TUEUTGZHCZBHSQ-RAIGVLPGSA-N -1 3 388.453 0.986 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C)n1cccc1 ZINC001573742260 948660797 /nfs/dbraw/zinc/66/07/97/948660797.db2.gz JRJQZAWEPXGDRM-AGIUHOORSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C)n1cccc1 ZINC001573742260 948660802 /nfs/dbraw/zinc/66/08/02/948660802.db2.gz JRJQZAWEPXGDRM-AGIUHOORSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573743140 948668126 /nfs/dbraw/zinc/66/81/26/948668126.db2.gz YPEODNNFVVQVPV-RISCZKNCSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573745587 948672773 /nfs/dbraw/zinc/67/27/73/948672773.db2.gz DXWGRMGTMXYRMC-NHCYSSNCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573745587 948672781 /nfs/dbraw/zinc/67/27/81/948672781.db2.gz DXWGRMGTMXYRMC-NHCYSSNCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573745604 948674056 /nfs/dbraw/zinc/67/40/56/948674056.db2.gz FKBLTPLXMCWQTB-DRZSPHRISA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573745604 948674062 /nfs/dbraw/zinc/67/40/62/948674062.db2.gz FKBLTPLXMCWQTB-DRZSPHRISA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573745723 948676140 /nfs/dbraw/zinc/67/61/40/948676140.db2.gz HCVZMDXEVTZZAH-LEWSCRJBSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573745723 948676148 /nfs/dbraw/zinc/67/61/48/948676148.db2.gz HCVZMDXEVTZZAH-LEWSCRJBSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573746091 948678415 /nfs/dbraw/zinc/67/84/15/948678415.db2.gz JDLRVDDQUWBGHN-WQAKAFBOSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573746091 948678420 /nfs/dbraw/zinc/67/84/20/948678420.db2.gz JDLRVDDQUWBGHN-WQAKAFBOSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2-c2nnn[n-]2)[C@@H]1C)S(C)(=O)=O ZINC001573746432 948680368 /nfs/dbraw/zinc/68/03/68/948680368.db2.gz LQOJXAHONRSBBK-JMSVASOKSA-N -1 3 392.485 0.379 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[n-]n2)[C@@H]1C)S(C)(=O)=O ZINC001573746432 948680371 /nfs/dbraw/zinc/68/03/71/948680371.db2.gz LQOJXAHONRSBBK-JMSVASOKSA-N -1 3 392.485 0.379 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573746391 948680852 /nfs/dbraw/zinc/68/08/52/948680852.db2.gz JPZNBJURCUWMID-YUSALJHKSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573746391 948680854 /nfs/dbraw/zinc/68/08/54/948680854.db2.gz JPZNBJURCUWMID-YUSALJHKSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573746813 948686432 /nfs/dbraw/zinc/68/64/32/948686432.db2.gz LKFCYLMQDCCKQC-DLOVCJGASA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573746813 948686438 /nfs/dbraw/zinc/68/64/38/948686438.db2.gz LKFCYLMQDCCKQC-DLOVCJGASA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573746811 948686715 /nfs/dbraw/zinc/68/67/15/948686715.db2.gz LJLRRBMSZRPMCU-XDTLVQLUSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573746811 948686721 /nfs/dbraw/zinc/68/67/21/948686721.db2.gz LJLRRBMSZRPMCU-XDTLVQLUSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001573748069 948693848 /nfs/dbraw/zinc/69/38/48/948693848.db2.gz ZXTSXUHKSJWWGX-MEDZGJRSSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001573748069 948693854 /nfs/dbraw/zinc/69/38/54/948693854.db2.gz ZXTSXUHKSJWWGX-MEDZGJRSSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)C(C)(F)F ZINC001573751613 948703874 /nfs/dbraw/zinc/70/38/74/948703874.db2.gz BYSMUJLLSFRUDG-BXSSEVMYSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)C(C)(F)F ZINC001573751613 948703880 /nfs/dbraw/zinc/70/38/80/948703880.db2.gz BYSMUJLLSFRUDG-BXSSEVMYSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)n1cccc1 ZINC001573752239 948711809 /nfs/dbraw/zinc/71/18/09/948711809.db2.gz LRJINVLGKCTAEV-PBOSXPJTSA-N -1 3 380.412 0.444 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)n1cccc1 ZINC001573752239 948711814 /nfs/dbraw/zinc/71/18/14/948711814.db2.gz LRJINVLGKCTAEV-PBOSXPJTSA-N -1 3 380.412 0.444 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)c1ccco1 ZINC001573752620 948714220 /nfs/dbraw/zinc/71/42/20/948714220.db2.gz PBIULKCQIADWJT-NYMYIZQJSA-N -1 3 381.396 0.778 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)c1ccco1 ZINC001573752620 948714225 /nfs/dbraw/zinc/71/42/25/948714225.db2.gz PBIULKCQIADWJT-NYMYIZQJSA-N -1 3 381.396 0.778 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001573754153 948738860 /nfs/dbraw/zinc/73/88/60/948738860.db2.gz CEIUZIWVLYZPLS-QXEWZRGKSA-N -1 3 388.453 0.849 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001573754153 948738868 /nfs/dbraw/zinc/73/88/68/948738868.db2.gz CEIUZIWVLYZPLS-QXEWZRGKSA-N -1 3 388.453 0.849 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)nc1 ZINC001574416352 948746069 /nfs/dbraw/zinc/74/60/69/948746069.db2.gz RTSCPVFOACDWAA-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)nc1 ZINC001574416352 948746079 /nfs/dbraw/zinc/74/60/79/948746079.db2.gz RTSCPVFOACDWAA-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001573755134 948755390 /nfs/dbraw/zinc/75/53/90/948755390.db2.gz ASDCECRPQWSTLZ-VWYCJHECSA-N -1 3 380.836 0.380 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001573755134 948755405 /nfs/dbraw/zinc/75/54/05/948755405.db2.gz ASDCECRPQWSTLZ-VWYCJHECSA-N -1 3 380.836 0.380 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001574416661 948756394 /nfs/dbraw/zinc/75/63/94/948756394.db2.gz BVCVKYOKGZAQNX-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574416661 948756405 /nfs/dbraw/zinc/75/64/05/948756405.db2.gz BVCVKYOKGZAQNX-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001574079116 948762668 /nfs/dbraw/zinc/76/26/68/948762668.db2.gz ABYGTDFJOUGZAK-YPMHNXCESA-N -1 3 381.387 0.716 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001574079116 948762676 /nfs/dbraw/zinc/76/26/76/948762676.db2.gz ABYGTDFJOUGZAK-YPMHNXCESA-N -1 3 381.387 0.716 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573755379 948764184 /nfs/dbraw/zinc/76/41/84/948764184.db2.gz CQJXOHMYXWFEIN-NSHDSACASA-N -1 3 380.412 0.636 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573755379 948764195 /nfs/dbraw/zinc/76/41/95/948764195.db2.gz CQJXOHMYXWFEIN-NSHDSACASA-N -1 3 380.412 0.636 20 0 GCADHM C[C@@H](CNC(=O)CCS(C)(=O)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574915385 948764941 /nfs/dbraw/zinc/76/49/41/948764941.db2.gz SFCFHOHQTPGZNN-QMMMGPOBSA-N -1 3 387.853 0.266 20 0 GCADHM C[C@@H](CNC(=O)CCS(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574915385 948764950 /nfs/dbraw/zinc/76/49/50/948764950.db2.gz SFCFHOHQTPGZNN-QMMMGPOBSA-N -1 3 387.853 0.266 20 0 GCADHM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cc(CN(C)C)on1 ZINC001574679150 948770730 /nfs/dbraw/zinc/77/07/30/948770730.db2.gz PACWHCIIRYCABW-JTQLQIEISA-N -1 3 386.420 0.327 20 0 GCADHM C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)c1cc(CN(C)C)on1 ZINC001574679150 948770744 /nfs/dbraw/zinc/77/07/44/948770744.db2.gz PACWHCIIRYCABW-JTQLQIEISA-N -1 3 386.420 0.327 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001574418211 948775469 /nfs/dbraw/zinc/77/54/69/948775469.db2.gz VMOCFGHCSSVYNI-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001574418211 948775482 /nfs/dbraw/zinc/77/54/82/948775482.db2.gz VMOCFGHCSSVYNI-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575224241 948777157 /nfs/dbraw/zinc/77/71/57/948777157.db2.gz KPJYALQATKKKDY-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575224241 948777167 /nfs/dbraw/zinc/77/71/67/948777167.db2.gz KPJYALQATKKKDY-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575224144 948777610 /nfs/dbraw/zinc/77/76/10/948777610.db2.gz JORDUBBSDBONFF-VIFPVBQESA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575224144 948777622 /nfs/dbraw/zinc/77/76/22/948777622.db2.gz JORDUBBSDBONFF-VIFPVBQESA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C1(C(=O)NCC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001575224005 948777807 /nfs/dbraw/zinc/77/78/07/948777807.db2.gz SOQLCRQWOZHJNN-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM CC(F)(F)C1(C(=O)NCC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001575224005 948777819 /nfs/dbraw/zinc/77/78/19/948777819.db2.gz SOQLCRQWOZHJNN-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001575224455 948784724 /nfs/dbraw/zinc/78/47/24/948784724.db2.gz WIAWCFGAQYYMIX-VIFPVBQESA-N -1 3 385.350 0.725 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001575224455 948784733 /nfs/dbraw/zinc/78/47/33/948784733.db2.gz WIAWCFGAQYYMIX-VIFPVBQESA-N -1 3 385.350 0.725 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1C[C@H](CO)[C@H](O)C1 ZINC001573756070 948796579 /nfs/dbraw/zinc/79/65/79/948796579.db2.gz WRGPLUUDAPKHBG-FXPVBKGRSA-N -1 3 378.458 0.029 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1C[C@H](CO)[C@H](O)C1 ZINC001573756070 948796588 /nfs/dbraw/zinc/79/65/88/948796588.db2.gz WRGPLUUDAPKHBG-FXPVBKGRSA-N -1 3 378.458 0.029 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575225119 948798247 /nfs/dbraw/zinc/79/82/47/948798247.db2.gz WTWUFDQMPNONJG-SECBINFHSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575225119 948798255 /nfs/dbraw/zinc/79/82/55/948798255.db2.gz WTWUFDQMPNONJG-SECBINFHSA-N -1 3 383.359 0.197 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917306 948815039 /nfs/dbraw/zinc/81/50/39/948815039.db2.gz WCTZEYGJMVBCTC-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917306 948815057 /nfs/dbraw/zinc/81/50/57/948815057.db2.gz WCTZEYGJMVBCTC-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)CCc1cncn1C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917436 948819366 /nfs/dbraw/zinc/81/93/66/948819366.db2.gz XPAVMDHIVXRZHE-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574917463 948819778 /nfs/dbraw/zinc/81/97/78/948819778.db2.gz YELGZVLGQUVHFS-LLVKDONJSA-N -1 3 387.423 0.931 20 0 GCADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574917463 948819796 /nfs/dbraw/zinc/81/97/96/948819796.db2.gz YELGZVLGQUVHFS-LLVKDONJSA-N -1 3 387.423 0.931 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917793 948826686 /nfs/dbraw/zinc/82/66/86/948826686.db2.gz BSYYOVFLLTVJAI-ZDUSSCGKSA-N -1 3 384.444 0.959 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917793 948826701 /nfs/dbraw/zinc/82/67/01/948826701.db2.gz BSYYOVFLLTVJAI-ZDUSSCGKSA-N -1 3 384.444 0.959 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575227016 948827158 /nfs/dbraw/zinc/82/71/58/948827158.db2.gz RFDAAQZSMWBDSN-OWUUHHOZSA-N -1 3 379.371 0.674 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575227016 948827178 /nfs/dbraw/zinc/82/71/78/948827178.db2.gz RFDAAQZSMWBDSN-OWUUHHOZSA-N -1 3 379.371 0.674 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574422348 948835274 /nfs/dbraw/zinc/83/52/74/948835274.db2.gz YYXAEMFZMNGBHN-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574422348 948835306 /nfs/dbraw/zinc/83/53/06/948835306.db2.gz YYXAEMFZMNGBHN-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574081574 948836209 /nfs/dbraw/zinc/83/62/09/948836209.db2.gz USDHCPAWIOWAEO-WCQYABFASA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574081574 948836229 /nfs/dbraw/zinc/83/62/29/948836229.db2.gz USDHCPAWIOWAEO-WCQYABFASA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574081693 948838129 /nfs/dbraw/zinc/83/81/29/948838129.db2.gz VPJVFTPZQYOJFY-OAHLLOKOSA-N -1 3 391.455 0.643 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574081693 948838145 /nfs/dbraw/zinc/83/81/45/948838145.db2.gz VPJVFTPZQYOJFY-OAHLLOKOSA-N -1 3 391.455 0.643 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccnc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918289 948840728 /nfs/dbraw/zinc/84/07/28/948840728.db2.gz IKVPPFQQLNXDJH-LBPRGKRZSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccnc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918289 948840750 /nfs/dbraw/zinc/84/07/50/948840750.db2.gz IKVPPFQQLNXDJH-LBPRGKRZSA-N -1 3 385.432 0.354 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574082233 948849034 /nfs/dbraw/zinc/84/90/34/948849034.db2.gz CIMGSNYKVVBGAN-ZDUSSCGKSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574082233 948849048 /nfs/dbraw/zinc/84/90/48/948849048.db2.gz CIMGSNYKVVBGAN-ZDUSSCGKSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CO)CC1OCCO1 ZINC001574082222 948849944 /nfs/dbraw/zinc/84/99/44/948849944.db2.gz CGTVAKJKDWCBMG-BLLLJJGKSA-N -1 3 391.428 0.510 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CO)CC1OCCO1 ZINC001574082222 948849959 /nfs/dbraw/zinc/84/99/59/948849959.db2.gz CGTVAKJKDWCBMG-BLLLJJGKSA-N -1 3 391.428 0.510 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573762051 948850662 /nfs/dbraw/zinc/85/06/62/948850662.db2.gz QIQOMWZUQMLAHE-UHFFFAOYSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573762051 948850675 /nfs/dbraw/zinc/85/06/75/948850675.db2.gz QIQOMWZUQMLAHE-UHFFFAOYSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1cnc(CN2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001574424508 948853236 /nfs/dbraw/zinc/85/32/36/948853236.db2.gz OIJQJCHUNVAWEB-UHFFFAOYSA-N -1 3 386.416 0.283 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574082478 948853256 /nfs/dbraw/zinc/85/32/56/948853256.db2.gz DWBWAXHLMIUBET-ZDUSSCGKSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574082478 948853283 /nfs/dbraw/zinc/85/32/83/948853283.db2.gz DWBWAXHLMIUBET-ZDUSSCGKSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)c1cnc(CN2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001574424508 948853254 /nfs/dbraw/zinc/85/32/54/948853254.db2.gz OIJQJCHUNVAWEB-UHFFFAOYSA-N -1 3 386.416 0.283 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574684031 948853643 /nfs/dbraw/zinc/85/36/43/948853643.db2.gz AKBHTLXFFJVHKE-UWVGGRQHSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574684031 948853662 /nfs/dbraw/zinc/85/36/62/948853662.db2.gz AKBHTLXFFJVHKE-UWVGGRQHSA-N -1 3 376.396 0.234 20 0 GCADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573762397 948854317 /nfs/dbraw/zinc/85/43/17/948854317.db2.gz VUGDJIJHBPYNSN-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573762397 948854333 /nfs/dbraw/zinc/85/43/33/948854333.db2.gz VUGDJIJHBPYNSN-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cncn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574918635 948856429 /nfs/dbraw/zinc/85/64/29/948856429.db2.gz PFNOSIFQVGQGBS-JTQLQIEISA-N -1 3 390.839 0.904 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574918635 948856448 /nfs/dbraw/zinc/85/64/48/948856448.db2.gz PFNOSIFQVGQGBS-JTQLQIEISA-N -1 3 390.839 0.904 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574082513 948857504 /nfs/dbraw/zinc/85/75/04/948857504.db2.gz FWNWYVGZEXIERY-LBPRGKRZSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574082513 948857520 /nfs/dbraw/zinc/85/75/20/948857520.db2.gz FWNWYVGZEXIERY-LBPRGKRZSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)(C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573762689 948858078 /nfs/dbraw/zinc/85/80/78/948858078.db2.gz YIECCNWRPSFAAM-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573762689 948858094 /nfs/dbraw/zinc/85/80/94/948858094.db2.gz YIECCNWRPSFAAM-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1CCNC1=O ZINC001574684251 948859563 /nfs/dbraw/zinc/85/95/63/948859563.db2.gz CHYMATDQCFQKEM-UWVGGRQHSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1CCNC1=O ZINC001574684251 948859581 /nfs/dbraw/zinc/85/95/81/948859581.db2.gz CHYMATDQCFQKEM-UWVGGRQHSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CCC(=O)N1C ZINC001574684090 948861299 /nfs/dbraw/zinc/86/12/99/948861299.db2.gz BMQSYRRZOFFOLO-BXKDBHETSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CCC(=O)N1C ZINC001574684090 948861316 /nfs/dbraw/zinc/86/13/16/948861316.db2.gz BMQSYRRZOFFOLO-BXKDBHETSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574684228 948861358 /nfs/dbraw/zinc/86/13/58/948861358.db2.gz CFSXVKMOVSZVND-NXEZZACHSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574684228 948861377 /nfs/dbraw/zinc/86/13/77/948861377.db2.gz CFSXVKMOVSZVND-NXEZZACHSA-N -1 3 376.396 0.234 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CC1 ZINC001574082779 948863214 /nfs/dbraw/zinc/86/32/14/948863214.db2.gz JPNJTFSSIBLDPV-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CC1 ZINC001574082779 948863232 /nfs/dbraw/zinc/86/32/32/948863232.db2.gz JPNJTFSSIBLDPV-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CN1CCCC1=O ZINC001574684392 948864145 /nfs/dbraw/zinc/86/41/45/948864145.db2.gz FIGLUERBHIWRJI-SNVBAGLBSA-N -1 3 392.851 0.844 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CN1CCCC1=O ZINC001574684392 948864154 /nfs/dbraw/zinc/86/41/54/948864154.db2.gz FIGLUERBHIWRJI-SNVBAGLBSA-N -1 3 392.851 0.844 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnc[nH]1 ZINC001573763737 948870894 /nfs/dbraw/zinc/87/08/94/948870894.db2.gz GOFOZPGCLMURMU-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnc[nH]1 ZINC001573763737 948870913 /nfs/dbraw/zinc/87/09/13/948870913.db2.gz GOFOZPGCLMURMU-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM C[C@H](CNC(=O)CCCc1cccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574919197 948873244 /nfs/dbraw/zinc/87/32/44/948873244.db2.gz WIMLKGYTIAEYBL-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CNC(=O)CCCc1cccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574919197 948873262 /nfs/dbraw/zinc/87/32/62/948873262.db2.gz WIMLKGYTIAEYBL-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)CCCc1cccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574919198 948874094 /nfs/dbraw/zinc/87/40/94/948874094.db2.gz WIMLKGYTIAEYBL-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)CCCc1cccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574919198 948874109 /nfs/dbraw/zinc/87/41/09/948874109.db2.gz WIMLKGYTIAEYBL-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM CC(C)(C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573763923 948875644 /nfs/dbraw/zinc/87/56/44/948875644.db2.gz IOCXXMSNSSZPLM-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573763923 948875667 /nfs/dbraw/zinc/87/56/67/948875667.db2.gz IOCXXMSNSSZPLM-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](O)c1ccnn1C ZINC001574083171 948876348 /nfs/dbraw/zinc/87/63/48/948876348.db2.gz PEJWHFKHCQXBMV-ZBFHGGJFSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](O)c1ccnn1C ZINC001574083171 948876367 /nfs/dbraw/zinc/87/63/67/948876367.db2.gz PEJWHFKHCQXBMV-ZBFHGGJFSA-N -1 3 385.428 0.853 20 0 GCADHM C[C@@H](CNC(=O)CCc1nnc[nH]1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574920024 948880923 /nfs/dbraw/zinc/88/09/23/948880923.db2.gz AMPQGDLPVBXZEV-LURJTMIESA-N -1 3 382.841 0.644 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574920068 948883188 /nfs/dbraw/zinc/88/31/88/948883188.db2.gz BLAQZLRRJJEEMP-LLVKDONJSA-N -1 3 385.407 0.765 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574920068 948883206 /nfs/dbraw/zinc/88/32/06/948883206.db2.gz BLAQZLRRJJEEMP-LLVKDONJSA-N -1 3 385.407 0.765 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncn1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574920021 948883959 /nfs/dbraw/zinc/88/39/59/948883959.db2.gz AHZJTKYMWMYRAO-NSHDSACASA-N -1 3 387.423 0.708 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncn1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574920021 948883983 /nfs/dbraw/zinc/88/39/83/948883983.db2.gz AHZJTKYMWMYRAO-NSHDSACASA-N -1 3 387.423 0.708 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CO)c1cncn1C ZINC001574083610 948886961 /nfs/dbraw/zinc/88/69/61/948886961.db2.gz VSLNZPFICQESER-BBRMVZONSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CO)c1cncn1C ZINC001574083610 948886978 /nfs/dbraw/zinc/88/69/78/948886978.db2.gz VSLNZPFICQESER-BBRMVZONSA-N -1 3 385.428 0.853 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001575233810 948891532 /nfs/dbraw/zinc/89/15/32/948891532.db2.gz MCSXGLPGFZXVQE-GHMZBOCLSA-N -1 3 385.350 0.502 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001575233810 948891549 /nfs/dbraw/zinc/89/15/49/948891549.db2.gz MCSXGLPGFZXVQE-GHMZBOCLSA-N -1 3 385.350 0.502 20 0 GCADHM CC(F)(F)CC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001575233816 948892160 /nfs/dbraw/zinc/89/21/60/948892160.db2.gz MCSXGLPGFZXVQE-QWRGUYRKSA-N -1 3 385.350 0.502 20 0 GCADHM CC(F)(F)CC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001575233816 948892179 /nfs/dbraw/zinc/89/21/79/948892179.db2.gz MCSXGLPGFZXVQE-QWRGUYRKSA-N -1 3 385.350 0.502 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574684886 948893584 /nfs/dbraw/zinc/89/35/84/948893584.db2.gz OLZBVNLFKCBFGF-NXEZZACHSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574684886 948893599 /nfs/dbraw/zinc/89/35/99/948893599.db2.gz OLZBVNLFKCBFGF-NXEZZACHSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920295 948896381 /nfs/dbraw/zinc/89/63/81/948896381.db2.gz HVRSQJWWMUWFKG-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920295 948896398 /nfs/dbraw/zinc/89/63/98/948896398.db2.gz HVRSQJWWMUWFKG-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574684980 948897888 /nfs/dbraw/zinc/89/78/88/948897888.db2.gz QLVRWCBQXYNBIX-KWQFWETISA-N -1 3 378.824 0.500 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574684980 948897908 /nfs/dbraw/zinc/89/79/08/948897908.db2.gz QLVRWCBQXYNBIX-KWQFWETISA-N -1 3 378.824 0.500 20 0 GCADHM CC(C)c1nccc(NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574427141 948899501 /nfs/dbraw/zinc/89/95/01/948899501.db2.gz AIHMJRAEYDYSHH-LBPRGKRZSA-N -1 3 385.432 0.653 20 0 GCADHM CC(C)c1nccc(NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574427141 948899518 /nfs/dbraw/zinc/89/95/18/948899518.db2.gz AIHMJRAEYDYSHH-LBPRGKRZSA-N -1 3 385.432 0.653 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCN(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574427384 948902273 /nfs/dbraw/zinc/90/22/73/948902273.db2.gz DCSPSNXQCAABNS-UHFFFAOYSA-N -1 3 384.448 0.571 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCN(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574427384 948902296 /nfs/dbraw/zinc/90/22/96/948902296.db2.gz DCSPSNXQCAABNS-UHFFFAOYSA-N -1 3 384.448 0.571 20 0 GCADHM CC(C)c1nccc(NC[C@@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574427382 948902535 /nfs/dbraw/zinc/90/25/35/948902535.db2.gz DCJAZFJFXSKUOL-GFCCVEGCSA-N -1 3 385.432 0.653 20 0 GCADHM CC(C)c1nccc(NC[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574427382 948902546 /nfs/dbraw/zinc/90/25/46/948902546.db2.gz DCJAZFJFXSKUOL-GFCCVEGCSA-N -1 3 385.432 0.653 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574685202 948902584 /nfs/dbraw/zinc/90/25/84/948902584.db2.gz SLMJANMIYXGWGN-BXKDBHETSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574685202 948902601 /nfs/dbraw/zinc/90/26/01/948902601.db2.gz SLMJANMIYXGWGN-BXKDBHETSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)C[C@@H]1CCNC1=O ZINC001574685257 948906594 /nfs/dbraw/zinc/90/65/94/948906594.db2.gz UIEKZJFMPQIPNQ-UWVGGRQHSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)C[C@@H]1CCNC1=O ZINC001574685257 948906606 /nfs/dbraw/zinc/90/66/06/948906606.db2.gz UIEKZJFMPQIPNQ-UWVGGRQHSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)C[C@H]1CCNC1=O ZINC001574685258 948906850 /nfs/dbraw/zinc/90/68/50/948906850.db2.gz UIEKZJFMPQIPNQ-VHSXEESVSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)C[C@H]1CCNC1=O ZINC001574685258 948906863 /nfs/dbraw/zinc/90/68/63/948906863.db2.gz UIEKZJFMPQIPNQ-VHSXEESVSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574685468 948909475 /nfs/dbraw/zinc/90/94/75/948909475.db2.gz XAZXPNVJLCRHNM-DYZYQPBXSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574685468 948909489 /nfs/dbraw/zinc/90/94/89/948909489.db2.gz XAZXPNVJLCRHNM-DYZYQPBXSA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574427708 948909825 /nfs/dbraw/zinc/90/98/25/948909825.db2.gz LVGFIMQLWVNSMX-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574427708 948909838 /nfs/dbraw/zinc/90/98/38/948909838.db2.gz LVGFIMQLWVNSMX-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574921117 948913733 /nfs/dbraw/zinc/91/37/33/948913733.db2.gz SOBTVNXKYSISRW-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574921117 948913742 /nfs/dbraw/zinc/91/37/42/948913742.db2.gz SOBTVNXKYSISRW-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574088229 948913862 /nfs/dbraw/zinc/91/38/62/948913862.db2.gz DWGNQGPCUZUVAS-SJCJKPOMSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574088229 948913873 /nfs/dbraw/zinc/91/38/73/948913873.db2.gz DWGNQGPCUZUVAS-SJCJKPOMSA-N -1 3 387.444 0.180 20 0 GCADHM CC(F)(F)CC(=O)NCC1(O)CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001575235252 948920018 /nfs/dbraw/zinc/92/00/18/948920018.db2.gz UXOPVASDHLCZNX-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(F)(F)CC(=O)NCC1(O)CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575235252 948920027 /nfs/dbraw/zinc/92/00/27/948920027.db2.gz UXOPVASDHLCZNX-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001574431721 948924299 /nfs/dbraw/zinc/92/42/99/948924299.db2.gz ABXVTSUABAFANG-LLVKDONJSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001574431721 948924316 /nfs/dbraw/zinc/92/43/16/948924316.db2.gz ABXVTSUABAFANG-LLVKDONJSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574431837 948925337 /nfs/dbraw/zinc/92/53/37/948925337.db2.gz CQKYTVKWPRUMAP-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)c1ncncc1C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574431744 948925429 /nfs/dbraw/zinc/92/54/29/948925429.db2.gz ARUPSSLETATQKE-UHFFFAOYSA-N -1 3 383.416 0.610 20 0 GCADHM CC(C)c1ncncc1C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574431744 948925438 /nfs/dbraw/zinc/92/54/38/948925438.db2.gz ARUPSSLETATQKE-UHFFFAOYSA-N -1 3 383.416 0.610 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574431755 948925662 /nfs/dbraw/zinc/92/56/62/948925662.db2.gz AYJXGBPOUUHVHG-UHFFFAOYSA-N -1 3 382.432 0.325 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574431755 948925674 /nfs/dbraw/zinc/92/56/74/948925674.db2.gz AYJXGBPOUUHVHG-UHFFFAOYSA-N -1 3 382.432 0.325 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574431835 948926150 /nfs/dbraw/zinc/92/61/50/948926150.db2.gz CMPLBKBOPNOEFU-ZDUSSCGKSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574088504 948927427 /nfs/dbraw/zinc/92/74/27/948927427.db2.gz FTYAZMKKVCLHFS-SJKOYZFVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574088504 948927436 /nfs/dbraw/zinc/92/74/36/948927436.db2.gz FTYAZMKKVCLHFS-SJKOYZFVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574431908 948929158 /nfs/dbraw/zinc/92/91/58/948929158.db2.gz DSEQGGZKTWIPKY-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432294 948932116 /nfs/dbraw/zinc/93/21/16/948932116.db2.gz ITVIFPAOEHQEIJ-NEPJUHHUSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432294 948932128 /nfs/dbraw/zinc/93/21/28/948932128.db2.gz ITVIFPAOEHQEIJ-NEPJUHHUSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574432436 948932520 /nfs/dbraw/zinc/93/25/20/948932520.db2.gz JOOZLOSEOUIIHZ-GFCCVEGCSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574432436 948932529 /nfs/dbraw/zinc/93/25/29/948932529.db2.gz JOOZLOSEOUIIHZ-GFCCVEGCSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574432451 948932634 /nfs/dbraw/zinc/93/26/34/948932634.db2.gz JXRQTSPNGQCRKN-CYBMUJFWSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574432451 948932642 /nfs/dbraw/zinc/93/26/42/948932642.db2.gz JXRQTSPNGQCRKN-CYBMUJFWSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574432535 948935073 /nfs/dbraw/zinc/93/50/73/948935073.db2.gz MCJOROSELAVNEW-LBPRGKRZSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574432535 948935086 /nfs/dbraw/zinc/93/50/86/948935086.db2.gz MCJOROSELAVNEW-LBPRGKRZSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432573 948935226 /nfs/dbraw/zinc/93/52/26/948935226.db2.gz NJQFUDHLRIJUAC-NEPJUHHUSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432573 948935235 /nfs/dbraw/zinc/93/52/35/948935235.db2.gz NJQFUDHLRIJUAC-NEPJUHHUSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574432591 948936753 /nfs/dbraw/zinc/93/67/53/948936753.db2.gz NWJNMLCMHXMNNC-TXEJJXNPSA-N -1 3 382.432 0.736 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574432591 948936766 /nfs/dbraw/zinc/93/67/66/948936766.db2.gz NWJNMLCMHXMNNC-TXEJJXNPSA-N -1 3 382.432 0.736 20 0 GCADHM CC(C)c1ncncc1C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574432584 948936849 /nfs/dbraw/zinc/93/68/49/948936849.db2.gz NUBOVVWQHNINHL-UHFFFAOYSA-N -1 3 383.416 0.610 20 0 GCADHM CC(C)c1ncncc1C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574432584 948936858 /nfs/dbraw/zinc/93/68/58/948936858.db2.gz NUBOVVWQHNINHL-UHFFFAOYSA-N -1 3 383.416 0.610 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574687154 948949057 /nfs/dbraw/zinc/94/90/57/948949057.db2.gz NVCWOIFOSRSHRW-SNVBAGLBSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574687154 948949071 /nfs/dbraw/zinc/94/90/71/948949071.db2.gz NVCWOIFOSRSHRW-SNVBAGLBSA-N -1 3 379.446 0.003 20 0 GCADHM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575237984 948949920 /nfs/dbraw/zinc/94/99/20/948949920.db2.gz KERFLUYLXPSLJN-MRXNPFEDSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575237984 948949927 /nfs/dbraw/zinc/94/99/27/948949927.db2.gz KERFLUYLXPSLJN-MRXNPFEDSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575237982 948952248 /nfs/dbraw/zinc/95/22/48/948952248.db2.gz KERFLUYLXPSLJN-INIZCTEOSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575237982 948952258 /nfs/dbraw/zinc/95/22/58/948952258.db2.gz KERFLUYLXPSLJN-INIZCTEOSA-N -1 3 381.387 0.755 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433340 948952925 /nfs/dbraw/zinc/95/29/25/948952925.db2.gz VJHWTCPWCCTREV-GFCCVEGCSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CCCS(C)(=O)=O ZINC001574687851 948954928 /nfs/dbraw/zinc/95/49/28/948954928.db2.gz RIDIJQHYZPJNJP-LLVKDONJSA-N -1 3 381.462 0.393 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CCCS(C)(=O)=O ZINC001574687851 948954934 /nfs/dbraw/zinc/95/49/34/948954934.db2.gz RIDIJQHYZPJNJP-LLVKDONJSA-N -1 3 381.462 0.393 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574433453 948955608 /nfs/dbraw/zinc/95/56/08/948955608.db2.gz NWDIHFRWTLEMNF-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574433453 948955621 /nfs/dbraw/zinc/95/56/21/948955621.db2.gz NWDIHFRWTLEMNF-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573772324 948958590 /nfs/dbraw/zinc/95/85/90/948958590.db2.gz AESMOXOAWWZZGS-AWEZNQCLSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573772324 948958603 /nfs/dbraw/zinc/95/86/03/948958603.db2.gz AESMOXOAWWZZGS-AWEZNQCLSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574433590 948958913 /nfs/dbraw/zinc/95/89/13/948958913.db2.gz XUQRWDVNRLSTNW-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574688301 948958824 /nfs/dbraw/zinc/95/88/24/948958824.db2.gz STTPCQUMCGMONJ-QWRGUYRKSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001574688301 948958834 /nfs/dbraw/zinc/95/88/34/948958834.db2.gz STTPCQUMCGMONJ-QWRGUYRKSA-N -1 3 379.446 0.003 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574089552 948959005 /nfs/dbraw/zinc/95/90/05/948959005.db2.gz FJJSOWYPZDQUAZ-IUODEOHRSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574089552 948959016 /nfs/dbraw/zinc/95/90/16/948959016.db2.gz FJJSOWYPZDQUAZ-IUODEOHRSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574923875 948959577 /nfs/dbraw/zinc/95/95/77/948959577.db2.gz SWOVFBKOMUUTEC-ZDUSSCGKSA-N -1 3 382.428 0.678 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574923875 948959594 /nfs/dbraw/zinc/95/95/94/948959594.db2.gz SWOVFBKOMUUTEC-ZDUSSCGKSA-N -1 3 382.428 0.678 20 0 GCADHM CC(C)c1nccn1CC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574433613 948961321 /nfs/dbraw/zinc/96/13/21/948961321.db2.gz ZBAVQIROVAVFPL-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C1CC1 ZINC001573772417 948961748 /nfs/dbraw/zinc/96/17/48/948961748.db2.gz BQLYTDLRICYLEM-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C1CC1 ZINC001573772417 948961762 /nfs/dbraw/zinc/96/17/62/948961762.db2.gz BQLYTDLRICYLEM-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575239433 948962068 /nfs/dbraw/zinc/96/20/68/948962068.db2.gz SGRBAYPBMBODJM-INIZCTEOSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575239433 948962077 /nfs/dbraw/zinc/96/20/77/948962077.db2.gz SGRBAYPBMBODJM-INIZCTEOSA-N -1 3 381.387 0.755 20 0 GCADHM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574924050 948962400 /nfs/dbraw/zinc/96/24/00/948962400.db2.gz UPGPZFJTZOEESO-VIFPVBQESA-N -1 3 391.823 0.370 20 0 GCADHM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574924050 948962414 /nfs/dbraw/zinc/96/24/14/948962414.db2.gz UPGPZFJTZOEESO-VIFPVBQESA-N -1 3 391.823 0.370 20 0 GCADHM CC(C)(C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1c[nH]cn1 ZINC001573772734 948965533 /nfs/dbraw/zinc/96/55/33/948965533.db2.gz CPQZMYJZXYOMRY-UHFFFAOYSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574433850 948966129 /nfs/dbraw/zinc/96/61/29/948966129.db2.gz SKFLQSIMAZCWBI-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574433850 948966140 /nfs/dbraw/zinc/96/61/40/948966140.db2.gz SKFLQSIMAZCWBI-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ccc(C(N)=O)o1 ZINC001574688750 948966286 /nfs/dbraw/zinc/96/62/86/948966286.db2.gz YNMWEOFIMFHBBB-QMMMGPOBSA-N -1 3 388.363 0.713 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ccc(C(N)=O)o1 ZINC001574688750 948966300 /nfs/dbraw/zinc/96/63/00/948966300.db2.gz YNMWEOFIMFHBBB-QMMMGPOBSA-N -1 3 388.363 0.713 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574433870 948967403 /nfs/dbraw/zinc/96/74/03/948967403.db2.gz UJEGUZKIZNTPFL-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574433870 948967413 /nfs/dbraw/zinc/96/74/13/948967413.db2.gz UJEGUZKIZNTPFL-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574434204 948976334 /nfs/dbraw/zinc/97/63/34/948976334.db2.gz ZRSWHZJQGPOZGX-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574434204 948976341 /nfs/dbraw/zinc/97/63/41/948976341.db2.gz ZRSWHZJQGPOZGX-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM C[C@H](CNC(=O)CN(C)Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574925749 948978242 /nfs/dbraw/zinc/97/82/42/948978242.db2.gz DAUPZZOEFSLLCJ-CYBMUJFWSA-N -1 3 381.444 0.705 20 0 GCADHM C[C@H](CNC(=O)CN(C)Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574925749 948978263 /nfs/dbraw/zinc/97/82/63/948978263.db2.gz DAUPZZOEFSLLCJ-CYBMUJFWSA-N -1 3 381.444 0.705 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574434283 948978947 /nfs/dbraw/zinc/97/89/47/948978947.db2.gz GKMWHIFVTOJAJL-LLVKDONJSA-N -1 3 385.436 0.013 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574434283 948978962 /nfs/dbraw/zinc/97/89/62/948978962.db2.gz GKMWHIFVTOJAJL-LLVKDONJSA-N -1 3 385.436 0.013 20 0 GCADHM C[C@H](CNC(=O)CN(C)c1ccccc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574925850 948979455 /nfs/dbraw/zinc/97/94/55/948979455.db2.gz FJYHGHRDNQLLAA-GFCCVEGCSA-N -1 3 382.428 0.566 20 0 GCADHM C[C@H](CNC(=O)CN(C)c1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574925850 948979469 /nfs/dbraw/zinc/97/94/69/948979469.db2.gz FJYHGHRDNQLLAA-GFCCVEGCSA-N -1 3 382.428 0.566 20 0 GCADHM C[C@@H](CNC(=O)CN(C)c1ccccc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574925851 948979816 /nfs/dbraw/zinc/97/98/16/948979816.db2.gz FJYHGHRDNQLLAA-LBPRGKRZSA-N -1 3 382.428 0.566 20 0 GCADHM C[C@@H](CNC(=O)CN(C)c1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574925851 948979827 /nfs/dbraw/zinc/97/98/27/948979827.db2.gz FJYHGHRDNQLLAA-LBPRGKRZSA-N -1 3 382.428 0.566 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)COCC2 ZINC001574689295 948980472 /nfs/dbraw/zinc/98/04/72/948980472.db2.gz FJAIWXKVVHTNBJ-LLVKDONJSA-N -1 3 383.416 0.609 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)COCC2 ZINC001574689295 948980486 /nfs/dbraw/zinc/98/04/86/948980486.db2.gz FJAIWXKVVHTNBJ-LLVKDONJSA-N -1 3 383.416 0.609 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)c1c[nH]cn1 ZINC001573773476 948985837 /nfs/dbraw/zinc/98/58/37/948985837.db2.gz CFCFGBYINZDKKX-JTQLQIEISA-N -1 3 388.407 0.596 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)c1c[nH]cn1 ZINC001573773476 948985843 /nfs/dbraw/zinc/98/58/43/948985843.db2.gz CFCFGBYINZDKKX-JTQLQIEISA-N -1 3 388.407 0.596 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)C1CC1 ZINC001573773620 948988887 /nfs/dbraw/zinc/98/88/87/948988887.db2.gz NRBHWXRTPQIDHW-UONOGXRCSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)C1CC1 ZINC001573773620 948988896 /nfs/dbraw/zinc/98/88/96/948988896.db2.gz NRBHWXRTPQIDHW-UONOGXRCSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)C(F)F ZINC001573773645 948990433 /nfs/dbraw/zinc/99/04/33/948990433.db2.gz OJNSZUWYFVDCMC-JQWIXIFHSA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)C(F)F ZINC001573773645 948990447 /nfs/dbraw/zinc/99/04/47/948990447.db2.gz OJNSZUWYFVDCMC-JQWIXIFHSA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1)C1CCOCC1 ZINC001573773666 948990998 /nfs/dbraw/zinc/99/09/98/948990998.db2.gz CVBFNPQHCQOKBB-CYBMUJFWSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1)C1CCOCC1 ZINC001573773666 948991013 /nfs/dbraw/zinc/99/10/13/948991013.db2.gz CVBFNPQHCQOKBB-CYBMUJFWSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001574435584 948993592 /nfs/dbraw/zinc/99/35/92/948993592.db2.gz WAGZOUASBVJTKM-UHFFFAOYSA-N -1 3 389.399 0.081 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001574435584 948993604 /nfs/dbraw/zinc/99/36/04/948993604.db2.gz WAGZOUASBVJTKM-UHFFFAOYSA-N -1 3 389.399 0.081 20 0 GCADHM CC(C)c1nnc(CNC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)s1 ZINC001574435402 948995494 /nfs/dbraw/zinc/99/54/94/948995494.db2.gz UUTXHPJLPHOBDZ-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nnc(CNC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)s1 ZINC001574435402 948995507 /nfs/dbraw/zinc/99/55/07/948995507.db2.gz UUTXHPJLPHOBDZ-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC001573774022 948995949 /nfs/dbraw/zinc/99/59/49/948995949.db2.gz INFDVKMARGPMBY-UHFFFAOYSA-N -1 3 379.446 0.146 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC001573774022 948995960 /nfs/dbraw/zinc/99/59/60/948995960.db2.gz INFDVKMARGPMBY-UHFFFAOYSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](CNC(=O)CN(C)CC(C)(C)C)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001574926396 948996736 /nfs/dbraw/zinc/99/67/36/948996736.db2.gz PKEOGHUJUISEMB-GFCCVEGCSA-N -1 3 375.481 0.576 20 0 GCADHM CC(C)(C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1c[nH]cn1 ZINC001573774095 948999502 /nfs/dbraw/zinc/99/95/02/948999502.db2.gz KCKYPDLXDQLCGL-UHFFFAOYSA-N -1 3 383.416 0.274 20 0 GCADHM CC(C)c1nnsc1C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574439188 949000554 /nfs/dbraw/zinc/00/05/54/949000554.db2.gz BRLXMDJAAYDRCN-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM CC(C)c1nnsc1C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574439188 949000572 /nfs/dbraw/zinc/00/05/72/949000572.db2.gz BRLXMDJAAYDRCN-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574926497 949000864 /nfs/dbraw/zinc/00/08/64/949000864.db2.gz SGVJYDAOWOAUSQ-SNVBAGLBSA-N -1 3 376.396 0.187 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574926497 949000876 /nfs/dbraw/zinc/00/08/76/949000876.db2.gz SGVJYDAOWOAUSQ-SNVBAGLBSA-N -1 3 376.396 0.187 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573774295 949003203 /nfs/dbraw/zinc/00/32/03/949003203.db2.gz MCLIMQQYRBTIHM-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573774295 949003221 /nfs/dbraw/zinc/00/32/21/949003221.db2.gz MCLIMQQYRBTIHM-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1)N1CCOCC1 ZINC001573774319 949007064 /nfs/dbraw/zinc/00/70/64/949007064.db2.gz MMMLNXDXVPYUFF-UHFFFAOYSA-N -1 3 386.460 0.433 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1)N1CCOCC1 ZINC001573774319 949007070 /nfs/dbraw/zinc/00/70/70/949007070.db2.gz MMMLNXDXVPYUFF-UHFFFAOYSA-N -1 3 386.460 0.433 20 0 GCADHM C[C@@H](CNC(=O)CN1CCOCC1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574926626 949013530 /nfs/dbraw/zinc/01/35/30/949013530.db2.gz BDWXZERCARDLOY-ZDUSSCGKSA-N -1 3 391.451 0.275 20 0 GCADHM C[C@H](Sc1nc(CC(=O)Nc2ccncc2-c2nnn[n-]2)cs1)C(N)=O ZINC001575501381 949014110 /nfs/dbraw/zinc/01/41/10/949014110.db2.gz HKGKTJFQNJDNDM-ZETCQYMHSA-N -1 3 390.454 0.287 20 0 GCADHM C[C@H](Sc1nc(CC(=O)Nc2ccncc2-c2nn[n-]n2)cs1)C(N)=O ZINC001575501381 949014127 /nfs/dbraw/zinc/01/41/27/949014127.db2.gz HKGKTJFQNJDNDM-ZETCQYMHSA-N -1 3 390.454 0.287 20 0 GCADHM CC(C)(C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1c[nH]cn1 ZINC001573774590 949015969 /nfs/dbraw/zinc/01/59/69/949015969.db2.gz OIDDFOUZUKVEAH-UHFFFAOYSA-N -1 3 383.416 0.274 20 0 GCADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCC(=O)N=S(C)(C)=O ZINC001575501877 949017530 /nfs/dbraw/zinc/01/75/30/949017530.db2.gz GRGBNNQAXQHCEX-SNVBAGLBSA-N -1 3 379.446 0.823 20 0 GCADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCC(=O)N=S(C)(C)=O ZINC001575501877 949017543 /nfs/dbraw/zinc/01/75/43/949017543.db2.gz GRGBNNQAXQHCEX-SNVBAGLBSA-N -1 3 379.446 0.823 20 0 GCADHM C[C@H](F)CCN1CC(n2cc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)nn2)C1 ZINC001575244339 949020215 /nfs/dbraw/zinc/02/02/15/949020215.db2.gz YRUBDUNGZSTBRW-JTQLQIEISA-N -1 3 388.411 0.321 20 0 GCADHM C[C@H](F)CCN1CC(n2cc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)nn2)C1 ZINC001575244339 949020199 /nfs/dbraw/zinc/02/01/99/949020199.db2.gz YRUBDUNGZSTBRW-JTQLQIEISA-N -1 3 388.411 0.321 20 0 GCADHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001575502459 949020716 /nfs/dbraw/zinc/02/07/16/949020716.db2.gz GWHOBSGDMIMKLK-JTQLQIEISA-N -1 3 389.441 0.686 20 0 GCADHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001575502459 949020730 /nfs/dbraw/zinc/02/07/30/949020730.db2.gz GWHOBSGDMIMKLK-JTQLQIEISA-N -1 3 389.441 0.686 20 0 GCADHM CC(C)c1noc(CNC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)n1 ZINC001574440124 949020972 /nfs/dbraw/zinc/02/09/72/949020972.db2.gz NXQUECMFQNDUIA-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CNC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)n1 ZINC001574440124 949020994 /nfs/dbraw/zinc/02/09/94/949020994.db2.gz NXQUECMFQNDUIA-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574091657 949025456 /nfs/dbraw/zinc/02/54/56/949025456.db2.gz PUYARIPBARSMSS-UGSOOPFHSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574091657 949025476 /nfs/dbraw/zinc/02/54/76/949025476.db2.gz PUYARIPBARSMSS-UGSOOPFHSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574440499 949027217 /nfs/dbraw/zinc/02/72/17/949027217.db2.gz QGXRRMBYTQQUAD-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574440499 949027238 /nfs/dbraw/zinc/02/72/38/949027238.db2.gz QGXRRMBYTQQUAD-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574926993 949034886 /nfs/dbraw/zinc/03/48/86/949034886.db2.gz FISPPPMTLSQXQH-SNVBAGLBSA-N -1 3 386.441 0.670 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574926993 949034905 /nfs/dbraw/zinc/03/49/05/949034905.db2.gz FISPPPMTLSQXQH-SNVBAGLBSA-N -1 3 386.441 0.670 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573775271 949037355 /nfs/dbraw/zinc/03/73/55/949037355.db2.gz VHCDTVOSEQURDQ-CQSZACIVSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573775271 949037374 /nfs/dbraw/zinc/03/73/74/949037374.db2.gz VHCDTVOSEQURDQ-CQSZACIVSA-N -1 3 382.428 0.524 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574692903 949039168 /nfs/dbraw/zinc/03/91/68/949039168.db2.gz CMCLQXKVHWMSLJ-JTQLQIEISA-N -1 3 385.432 0.472 20 0 GCADHM CC(C)(C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1c[nH]cn1 ZINC001573775288 949042486 /nfs/dbraw/zinc/04/24/86/949042486.db2.gz VVGBMUBQOJQUOJ-LLVKDONJSA-N -1 3 382.432 0.664 20 0 GCADHM C[C@@H](CN(C)C(=O)C(=O)NCC(F)F)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574692918 949043030 /nfs/dbraw/zinc/04/30/30/949043030.db2.gz DFIFGDFNYWJEOG-QMMMGPOBSA-N -1 3 385.350 0.646 20 0 GCADHM C[C@@H](CN(C)C(=O)C(=O)NCC(F)F)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574692918 949043050 /nfs/dbraw/zinc/04/30/50/949043050.db2.gz DFIFGDFNYWJEOG-QMMMGPOBSA-N -1 3 385.350 0.646 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574927855 949047969 /nfs/dbraw/zinc/04/79/69/949047969.db2.gz LWXXVIMBCYBFKL-LLVKDONJSA-N -1 3 389.435 0.469 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(F)F ZINC001573778944 949048576 /nfs/dbraw/zinc/04/85/76/949048576.db2.gz AFNJUBSSGQTKDW-INIZCTEOSA-N -1 3 381.387 0.610 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(F)F ZINC001573778944 949048593 /nfs/dbraw/zinc/04/85/93/949048593.db2.gz AFNJUBSSGQTKDW-INIZCTEOSA-N -1 3 381.387 0.610 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573779232 949051915 /nfs/dbraw/zinc/05/19/15/949051915.db2.gz DRVCFYNOUUZDBX-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573779232 949051936 /nfs/dbraw/zinc/05/19/36/949051936.db2.gz DRVCFYNOUUZDBX-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573779036 949053517 /nfs/dbraw/zinc/05/35/17/949053517.db2.gz DDFWSWGWALRUPA-INIZCTEOSA-N -1 3 381.387 0.610 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573779036 949053535 /nfs/dbraw/zinc/05/35/35/949053535.db2.gz DDFWSWGWALRUPA-INIZCTEOSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575247914 949056493 /nfs/dbraw/zinc/05/64/93/949056493.db2.gz LMWOTXKGQBSKGY-SNVBAGLBSA-N -1 3 391.501 0.779 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575504059 949057668 /nfs/dbraw/zinc/05/76/68/949057668.db2.gz RHYSGQASDQVMQK-YPMHNXCESA-N -1 3 384.400 0.013 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575504059 949057678 /nfs/dbraw/zinc/05/76/78/949057678.db2.gz RHYSGQASDQVMQK-YPMHNXCESA-N -1 3 384.400 0.013 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574441467 949058981 /nfs/dbraw/zinc/05/89/81/949058981.db2.gz LPQLHHLMLBWZGS-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574441467 949059001 /nfs/dbraw/zinc/05/90/01/949059001.db2.gz LPQLHHLMLBWZGS-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1c[nH]cn1 ZINC001573779495 949061777 /nfs/dbraw/zinc/06/17/77/949061777.db2.gz KAZGMKIIMJEKDY-NSHDSACASA-N -1 3 383.416 0.226 20 0 GCADHM CC(C)c1nsc(NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574441504 949064446 /nfs/dbraw/zinc/06/44/46/949064446.db2.gz NAPZSJHBLGRBCI-SECBINFHSA-N -1 3 377.434 0.373 20 0 GCADHM CC(C)c1nsc(NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574441504 949064467 /nfs/dbraw/zinc/06/44/67/949064467.db2.gz NAPZSJHBLGRBCI-SECBINFHSA-N -1 3 377.434 0.373 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575504423 949067076 /nfs/dbraw/zinc/06/70/76/949067076.db2.gz UDWDZKLNAPEWBR-NSHDSACASA-N -1 3 386.391 0.816 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575504423 949067095 /nfs/dbraw/zinc/06/70/95/949067095.db2.gz UDWDZKLNAPEWBR-NSHDSACASA-N -1 3 386.391 0.816 20 0 GCADHM CC(C)c1nsc(NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574441755 949071472 /nfs/dbraw/zinc/07/14/72/949071472.db2.gz WAWROSPVWIBKEE-MRVPVSSYSA-N -1 3 377.434 0.373 20 0 GCADHM CC(C)c1nsc(NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574441755 949071487 /nfs/dbraw/zinc/07/14/87/949071487.db2.gz WAWROSPVWIBKEE-MRVPVSSYSA-N -1 3 377.434 0.373 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575504311 949071373 /nfs/dbraw/zinc/07/13/73/949071373.db2.gz PXNQPFAKPZMPTQ-UHNFBRDESA-N -1 3 385.403 0.870 20 0 GCADHM CC(C)c1nsc(N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574441733 949071589 /nfs/dbraw/zinc/07/15/89/949071589.db2.gz VDDNYFMNOBQPHI-QMMMGPOBSA-N -1 3 377.434 0.373 20 0 GCADHM CC(C)c1nsc(N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574441733 949071600 /nfs/dbraw/zinc/07/16/00/949071600.db2.gz VDDNYFMNOBQPHI-QMMMGPOBSA-N -1 3 377.434 0.373 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1c[nH]cn1 ZINC001573779713 949072565 /nfs/dbraw/zinc/07/25/65/949072565.db2.gz MWKMTXVEHQVAQV-NSHDSACASA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1c[nH]cn1 ZINC001573779713 949072588 /nfs/dbraw/zinc/07/25/88/949072588.db2.gz MWKMTXVEHQVAQV-NSHDSACASA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)(C(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)c1c[nH]cn1 ZINC001573779891 949075864 /nfs/dbraw/zinc/07/58/64/949075864.db2.gz OUIWTLSVJRYHQT-UHFFFAOYSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)c1c[nH]cn1 ZINC001573779891 949075884 /nfs/dbraw/zinc/07/58/84/949075884.db2.gz OUIWTLSVJRYHQT-UHFFFAOYSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574442027 949089021 /nfs/dbraw/zinc/08/90/21/949089021.db2.gz JWPPFRYOZCNHGA-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574442027 949089043 /nfs/dbraw/zinc/08/90/43/949089043.db2.gz JWPPFRYOZCNHGA-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)c1c[nH]cn1 ZINC001573780319 949090199 /nfs/dbraw/zinc/09/01/99/949090199.db2.gz WDCPSYYJAJWHNX-NSHDSACASA-N -1 3 382.432 0.443 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574929471 949090362 /nfs/dbraw/zinc/09/03/62/949090362.db2.gz DWIWHDGASNXGKT-SWLSCSKDSA-N -1 3 392.435 0.748 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574929471 949090386 /nfs/dbraw/zinc/09/03/86/949090386.db2.gz DWIWHDGASNXGKT-SWLSCSKDSA-N -1 3 392.435 0.748 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574929467 949090982 /nfs/dbraw/zinc/09/09/82/949090982.db2.gz DVYHRUOSLJCUTC-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574929467 949091001 /nfs/dbraw/zinc/09/10/01/949091001.db2.gz DVYHRUOSLJCUTC-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573781030 949097645 /nfs/dbraw/zinc/09/76/45/949097645.db2.gz AMEYBMZJJCAFRA-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573781030 949097662 /nfs/dbraw/zinc/09/76/62/949097662.db2.gz AMEYBMZJJCAFRA-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575250051 949104620 /nfs/dbraw/zinc/10/46/20/949104620.db2.gz CRFKAVFDMGNMMO-MFKMUULPSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575250051 949104640 /nfs/dbraw/zinc/10/46/40/949104640.db2.gz CRFKAVFDMGNMMO-MFKMUULPSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575250064 949105447 /nfs/dbraw/zinc/10/54/47/949105447.db2.gz CWZXTRVVOITCGZ-UTUOFQBUSA-N -1 3 386.460 0.872 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575250064 949105465 /nfs/dbraw/zinc/10/54/65/949105465.db2.gz CWZXTRVVOITCGZ-UTUOFQBUSA-N -1 3 386.460 0.872 20 0 GCADHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001575505089 949106982 /nfs/dbraw/zinc/10/69/82/949106982.db2.gz ZOIMSQARLYHXIV-JTQLQIEISA-N -1 3 387.425 0.742 20 0 GCADHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001575505089 949106994 /nfs/dbraw/zinc/10/69/94/949106994.db2.gz ZOIMSQARLYHXIV-JTQLQIEISA-N -1 3 387.425 0.742 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575505088 949107318 /nfs/dbraw/zinc/10/73/18/949107318.db2.gz ZOEUDVCTIRJNGU-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575505088 949107332 /nfs/dbraw/zinc/10/73/32/949107332.db2.gz ZOEUDVCTIRJNGU-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](CCNc1ncnc2c1ncn2C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574695423 949110950 /nfs/dbraw/zinc/11/09/50/949110950.db2.gz HKGTUECWEPWQBI-SECBINFHSA-N -1 3 381.404 0.492 20 0 GCADHM C[C@H](CCNc1ncnc2c1ncn2C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574695423 949110961 /nfs/dbraw/zinc/11/09/61/949110961.db2.gz HKGTUECWEPWQBI-SECBINFHSA-N -1 3 381.404 0.492 20 0 GCADHM CC(C)(C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573781753 949113084 /nfs/dbraw/zinc/11/30/84/949113084.db2.gz MYYBDNPAXXHMPU-UHFFFAOYSA-N -1 3 385.350 0.972 20 0 GCADHM CC(C)(C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573781753 949113090 /nfs/dbraw/zinc/11/30/90/949113090.db2.gz MYYBDNPAXXHMPU-UHFFFAOYSA-N -1 3 385.350 0.972 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)C1N=NC(=O)N1C ZINC001575250689 949113997 /nfs/dbraw/zinc/11/39/97/949113997.db2.gz GHFQNJYDXOHRBW-ZWNOBZJWSA-N -1 3 386.416 0.982 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)C1N=NC(=O)N1C ZINC001575250689 949114004 /nfs/dbraw/zinc/11/40/04/949114004.db2.gz GHFQNJYDXOHRBW-ZWNOBZJWSA-N -1 3 386.416 0.982 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575250392 949114816 /nfs/dbraw/zinc/11/48/16/949114816.db2.gz FXTFCHWKZZWWHK-VXGBXAGGSA-N -1 3 392.485 0.236 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574446012 949115124 /nfs/dbraw/zinc/11/51/24/949115124.db2.gz FKPLIRLVGIFGQN-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574446012 949115136 /nfs/dbraw/zinc/11/51/36/949115136.db2.gz FKPLIRLVGIFGQN-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)C(F)F ZINC001573782051 949116374 /nfs/dbraw/zinc/11/63/74/949116374.db2.gz PGQAPZHJVFSFDB-SNVBAGLBSA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)C(F)F ZINC001573782051 949116384 /nfs/dbraw/zinc/11/63/84/949116384.db2.gz PGQAPZHJVFSFDB-SNVBAGLBSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575250977 949121756 /nfs/dbraw/zinc/12/17/56/949121756.db2.gz JPHZHIZKVRWRDB-GHMZBOCLSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575250977 949121771 /nfs/dbraw/zinc/12/17/71/949121771.db2.gz JPHZHIZKVRWRDB-GHMZBOCLSA-N -1 3 383.416 0.229 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574446269 949125142 /nfs/dbraw/zinc/12/51/42/949125142.db2.gz MLRCSILJDLMPBN-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574446269 949125148 /nfs/dbraw/zinc/12/51/48/949125148.db2.gz MLRCSILJDLMPBN-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574932096 949130401 /nfs/dbraw/zinc/13/04/01/949130401.db2.gz UZZZUXMZVBEVQD-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574932096 949130388 /nfs/dbraw/zinc/13/03/88/949130388.db2.gz UZZZUXMZVBEVQD-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM C[C@@H](CNC(=O)COC1CCCC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574932092 949130520 /nfs/dbraw/zinc/13/05/20/949130520.db2.gz UZFGVUKCFJJKPC-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)COC1CCCC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574932092 949130509 /nfs/dbraw/zinc/13/05/09/949130509.db2.gz UZFGVUKCFJJKPC-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](c1ccccc1)[C@@H](O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575512193 949137507 /nfs/dbraw/zinc/13/75/07/949137507.db2.gz NCEUUDXPYFJGNF-SJCJKPOMSA-N -1 3 381.440 0.773 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001575512497 949139604 /nfs/dbraw/zinc/13/96/04/949139604.db2.gz NNOLZIFIZQKIIJ-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](c1cccc(F)c1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575512477 949139802 /nfs/dbraw/zinc/13/98/02/949139802.db2.gz NKVFXRJHVMQUMG-UHNFBRDESA-N -1 3 385.403 0.870 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574446814 949140723 /nfs/dbraw/zinc/14/07/23/949140723.db2.gz XGSRRFOYHGVLKP-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574446814 949140741 /nfs/dbraw/zinc/14/07/41/949140741.db2.gz XGSRRFOYHGVLKP-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001575251484 949140898 /nfs/dbraw/zinc/14/08/98/949140898.db2.gz NOVGYXYDUGIJHM-WDEREUQCSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001575251484 949140909 /nfs/dbraw/zinc/14/09/09/949140909.db2.gz NOVGYXYDUGIJHM-WDEREUQCSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574933969 949145264 /nfs/dbraw/zinc/14/52/64/949145264.db2.gz AGEMXGCHIFGBTR-JTQLQIEISA-N -1 3 389.441 0.817 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574933969 949145276 /nfs/dbraw/zinc/14/52/76/949145276.db2.gz AGEMXGCHIFGBTR-JTQLQIEISA-N -1 3 389.441 0.817 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574446889 949145210 /nfs/dbraw/zinc/14/52/10/949145210.db2.gz ZMYASQQNBWBKCZ-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574446889 949145223 /nfs/dbraw/zinc/14/52/23/949145223.db2.gz ZMYASQQNBWBKCZ-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574446912 949146110 /nfs/dbraw/zinc/14/61/10/949146110.db2.gz AROLKDOMPKPOOO-PHIMTYICSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574446912 949146128 /nfs/dbraw/zinc/14/61/28/949146128.db2.gz AROLKDOMPKPOOO-PHIMTYICSA-N -1 3 384.400 0.997 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574932417 949146597 /nfs/dbraw/zinc/14/65/97/949146597.db2.gz ZWMVHQPKMFMNLN-NWDGAFQWSA-N -1 3 378.408 0.752 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574932417 949146602 /nfs/dbraw/zinc/14/66/02/949146602.db2.gz ZWMVHQPKMFMNLN-NWDGAFQWSA-N -1 3 378.408 0.752 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574933986 949146936 /nfs/dbraw/zinc/14/69/36/949146936.db2.gz AHFVMWYAZXBRHX-LBPRGKRZSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574933986 949146944 /nfs/dbraw/zinc/14/69/44/949146944.db2.gz AHFVMWYAZXBRHX-LBPRGKRZSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575251851 949148894 /nfs/dbraw/zinc/14/88/94/949148894.db2.gz OPRJVLOEMJMQJR-RYUDHWBXSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575251977 949152201 /nfs/dbraw/zinc/15/22/01/949152201.db2.gz DFMHCGDPSYOKSR-GHMZBOCLSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575251977 949152186 /nfs/dbraw/zinc/15/21/86/949152186.db2.gz DFMHCGDPSYOKSR-GHMZBOCLSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574697773 949158796 /nfs/dbraw/zinc/15/87/96/949158796.db2.gz BQVPUKBWFLLPKD-WDEREUQCSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574697773 949158801 /nfs/dbraw/zinc/15/88/01/949158801.db2.gz BQVPUKBWFLLPKD-WDEREUQCSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1ncccc1-c1nnn[n-]1 ZINC001574934574 949168116 /nfs/dbraw/zinc/16/81/16/949168116.db2.gz LGPHEALCIQPIFK-JTQLQIEISA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1ncccc1-c1nn[n-]n1 ZINC001574934574 949168124 /nfs/dbraw/zinc/16/81/24/949168124.db2.gz LGPHEALCIQPIFK-JTQLQIEISA-N -1 3 381.462 0.392 20 0 GCADHM C[C@H](NC(=O)C(C)(C)F)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575252726 949170197 /nfs/dbraw/zinc/17/01/97/949170197.db2.gz RCSWCJQORVHMDG-JOYOIKCWSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@H](NC(=O)C(C)(C)F)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575252726 949170211 /nfs/dbraw/zinc/17/02/11/949170211.db2.gz RCSWCJQORVHMDG-JOYOIKCWSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574934687 949170643 /nfs/dbraw/zinc/17/06/43/949170643.db2.gz OCXDKUGPBAJCNB-SNVBAGLBSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574934687 949170653 /nfs/dbraw/zinc/17/06/53/949170653.db2.gz OCXDKUGPBAJCNB-SNVBAGLBSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934657 949170687 /nfs/dbraw/zinc/17/06/87/949170687.db2.gz NFUPSHWSSQNWBH-NSHDSACASA-N -1 3 384.400 0.151 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934657 949170706 /nfs/dbraw/zinc/17/07/06/949170706.db2.gz NFUPSHWSSQNWBH-NSHDSACASA-N -1 3 384.400 0.151 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574934622 949171047 /nfs/dbraw/zinc/17/10/47/949171047.db2.gz MJTLENNSLHGYHE-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574934622 949171067 /nfs/dbraw/zinc/17/10/67/949171067.db2.gz MJTLENNSLHGYHE-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574447968 949173959 /nfs/dbraw/zinc/17/39/59/949173959.db2.gz ABIFYMGOEOSABR-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574447968 949173974 /nfs/dbraw/zinc/17/39/74/949173974.db2.gz ABIFYMGOEOSABR-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573787313 949174529 /nfs/dbraw/zinc/17/45/29/949174529.db2.gz SMZIRTBBWODLOS-JOCQHMNTSA-N -1 3 386.460 0.432 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573787313 949174540 /nfs/dbraw/zinc/17/45/40/949174540.db2.gz SMZIRTBBWODLOS-JOCQHMNTSA-N -1 3 386.460 0.432 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574934767 949174687 /nfs/dbraw/zinc/17/46/87/949174687.db2.gz QCXIDFIJAWZONI-NSHDSACASA-N -1 3 388.407 0.873 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574934767 949174701 /nfs/dbraw/zinc/17/47/01/949174701.db2.gz QCXIDFIJAWZONI-NSHDSACASA-N -1 3 388.407 0.873 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001575514900 949174652 /nfs/dbraw/zinc/17/46/52/949174652.db2.gz ZVVVJGYWHAKIPA-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001575514900 949174661 /nfs/dbraw/zinc/17/46/61/949174661.db2.gz ZVVVJGYWHAKIPA-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574934712 949175871 /nfs/dbraw/zinc/17/58/71/949175871.db2.gz OXRSWUXHQCRGRB-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574934712 949175884 /nfs/dbraw/zinc/17/58/84/949175884.db2.gz OXRSWUXHQCRGRB-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C(F)F ZINC001573787417 949178789 /nfs/dbraw/zinc/17/87/89/949178789.db2.gz YHDITMQNDSLCGX-ZJUUUORDSA-N -1 3 385.350 0.358 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C(F)F ZINC001573787417 949178803 /nfs/dbraw/zinc/17/88/03/949178803.db2.gz YHDITMQNDSLCGX-ZJUUUORDSA-N -1 3 385.350 0.358 20 0 GCADHM C[C@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575253103 949178941 /nfs/dbraw/zinc/17/89/41/949178941.db2.gz SMDNCDGXJQKVFL-GZMMTYOYSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575253103 949178926 /nfs/dbraw/zinc/17/89/26/949178926.db2.gz SMDNCDGXJQKVFL-GZMMTYOYSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](c1ccccc1F)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001575515014 949181116 /nfs/dbraw/zinc/18/11/16/949181116.db2.gz FBGMCTDNJHIERY-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](c1ccccc1F)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001575515014 949181121 /nfs/dbraw/zinc/18/11/21/949181121.db2.gz FBGMCTDNJHIERY-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575253166 949181816 /nfs/dbraw/zinc/18/18/16/949181816.db2.gz SSZZPWZXKUXCEG-GZMMTYOYSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575253166 949181800 /nfs/dbraw/zinc/18/18/00/949181800.db2.gz SSZZPWZXKUXCEG-GZMMTYOYSA-N -1 3 383.359 0.196 20 0 GCADHM CC(C)(C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)C(F)F ZINC001573787567 949182716 /nfs/dbraw/zinc/18/27/16/949182716.db2.gz WXXHCSVRILZPIA-JZYVYDRUSA-N -1 3 379.371 0.673 20 0 GCADHM CC(C)(C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)C(F)F ZINC001573787567 949182728 /nfs/dbraw/zinc/18/27/28/949182728.db2.gz WXXHCSVRILZPIA-JZYVYDRUSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934871 949183618 /nfs/dbraw/zinc/18/36/18/949183618.db2.gz TZUVEGOXKGXBBJ-VIFPVBQESA-N -1 3 375.414 0.570 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574448225 949183611 /nfs/dbraw/zinc/18/36/11/949183611.db2.gz GQRRBVORAFXGES-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574448225 949183628 /nfs/dbraw/zinc/18/36/28/949183628.db2.gz GQRRBVORAFXGES-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934871 949183633 /nfs/dbraw/zinc/18/36/33/949183633.db2.gz TZUVEGOXKGXBBJ-VIFPVBQESA-N -1 3 375.414 0.570 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574698435 949190935 /nfs/dbraw/zinc/19/09/35/949190935.db2.gz KRTTYFPICYFVFV-GHMZBOCLSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574698435 949190951 /nfs/dbraw/zinc/19/09/51/949190951.db2.gz KRTTYFPICYFVFV-GHMZBOCLSA-N -1 3 381.462 0.201 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001573788102 949191509 /nfs/dbraw/zinc/19/15/09/949191509.db2.gz GLWMFHXDKVXBDA-NEPJUHHUSA-N -1 3 384.444 0.613 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001573788102 949191518 /nfs/dbraw/zinc/19/15/18/949191518.db2.gz GLWMFHXDKVXBDA-NEPJUHHUSA-N -1 3 384.444 0.613 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)CNc1ncccc1-c1nnn[n-]1 ZINC001574935056 949192795 /nfs/dbraw/zinc/19/27/95/949192795.db2.gz YGSIJNIUBNFHOU-GFCCVEGCSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)CNc1ncccc1-c1nn[n-]n1 ZINC001574935056 949192803 /nfs/dbraw/zinc/19/28/03/949192803.db2.gz YGSIJNIUBNFHOU-GFCCVEGCSA-N -1 3 385.432 0.376 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574449857 949200819 /nfs/dbraw/zinc/20/08/19/949200819.db2.gz TUVPISPVKRAOQL-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574449857 949200844 /nfs/dbraw/zinc/20/08/44/949200844.db2.gz TUVPISPVKRAOQL-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573788628 949202996 /nfs/dbraw/zinc/20/29/96/949202996.db2.gz PXYKEOMGPBZNAO-LBPRGKRZSA-N -1 3 375.408 0.208 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575254616 949205892 /nfs/dbraw/zinc/20/58/92/949205892.db2.gz NDQAXUBIJBHHRX-GWCFXTLKSA-N -1 3 391.407 0.290 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574449899 949205911 /nfs/dbraw/zinc/20/59/11/949205911.db2.gz VEHBONCMKKQKRN-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574449899 949205927 /nfs/dbraw/zinc/20/59/27/949205927.db2.gz VEHBONCMKKQKRN-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575254616 949205903 /nfs/dbraw/zinc/20/59/03/949205903.db2.gz NDQAXUBIJBHHRX-GWCFXTLKSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575254706 949209436 /nfs/dbraw/zinc/20/94/36/949209436.db2.gz WWJMZJUAKRBDIB-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575254706 949209447 /nfs/dbraw/zinc/20/94/47/949209447.db2.gz WWJMZJUAKRBDIB-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575254732 949210268 /nfs/dbraw/zinc/21/02/68/949210268.db2.gz XDZLSRGVQGEAFI-ZJUUUORDSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575254732 949210290 /nfs/dbraw/zinc/21/02/90/949210290.db2.gz XDZLSRGVQGEAFI-ZJUUUORDSA-N -1 3 381.462 0.390 20 0 GCADHM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001575853352 949211998 /nfs/dbraw/zinc/21/19/98/949211998.db2.gz QJOFOUSITDKLPK-UHFFFAOYSA-N -1 3 387.429 0.926 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575254729 949213102 /nfs/dbraw/zinc/21/31/02/949213102.db2.gz XDZLSRGVQGEAFI-NXEZZACHSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575254729 949213122 /nfs/dbraw/zinc/21/31/22/949213122.db2.gz XDZLSRGVQGEAFI-NXEZZACHSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574936679 949213817 /nfs/dbraw/zinc/21/38/17/949213817.db2.gz JYSYVVXTSNBRTP-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574936679 949213842 /nfs/dbraw/zinc/21/38/42/949213842.db2.gz JYSYVVXTSNBRTP-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM CC1(Nc2ncccc2-c2nnn[n-]2)CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001575853616 949217563 /nfs/dbraw/zinc/21/75/63/949217563.db2.gz VSKGIVLSCLRFCY-CYBMUJFWSA-N -1 3 384.444 0.723 20 0 GCADHM CC1(Nc2ncccc2-c2nn[n-]n2)CCN(C(=O)[C@H]2CCCC(=O)N2)CC1 ZINC001575853616 949217583 /nfs/dbraw/zinc/21/75/83/949217583.db2.gz VSKGIVLSCLRFCY-CYBMUJFWSA-N -1 3 384.444 0.723 20 0 GCADHM CC(C)(C)C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573791537 949218730 /nfs/dbraw/zinc/21/87/30/949218730.db2.gz BQXJMPMTQKKRBM-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573791537 949218745 /nfs/dbraw/zinc/21/87/45/949218745.db2.gz BQXJMPMTQKKRBM-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC1(Nc2cccc(F)c2-c2nnn[n-]2)CCN(C(=O)CCNC(N)=O)CC1 ZINC001575854097 949228718 /nfs/dbraw/zinc/22/87/18/949228718.db2.gz SMHBZMAFAGNRJT-UHFFFAOYSA-N -1 3 390.423 0.857 20 0 GCADHM CC1(Nc2cccc(F)c2-c2nn[n-]n2)CCN(C(=O)CCNC(N)=O)CC1 ZINC001575854097 949228738 /nfs/dbraw/zinc/22/87/38/949228738.db2.gz SMHBZMAFAGNRJT-UHFFFAOYSA-N -1 3 390.423 0.857 20 0 GCADHM CC(C)CC(=O)N1CCC(N(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574103201 949230970 /nfs/dbraw/zinc/23/09/70/949230970.db2.gz MRCBKUKTCIJCBH-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N1CCC(N(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574103201 949230990 /nfs/dbraw/zinc/23/09/90/949230990.db2.gz MRCBKUKTCIJCBH-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM C[C@H]1CCC[C@H](C)N1C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576151609 949233326 /nfs/dbraw/zinc/23/33/26/949233326.db2.gz HOJIAMOINNFQFH-RYUDHWBXSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H]1CCC[C@H](C)N1C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576151609 949233352 /nfs/dbraw/zinc/23/33/52/949233352.db2.gz HOJIAMOINNFQFH-RYUDHWBXSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574451663 949235779 /nfs/dbraw/zinc/23/57/79/949235779.db2.gz SRDAVLHMBZYEAP-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574451663 949235799 /nfs/dbraw/zinc/23/57/99/949235799.db2.gz SRDAVLHMBZYEAP-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM C[C@H](c1ccccc1F)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575517840 949240337 /nfs/dbraw/zinc/24/03/37/949240337.db2.gz ZDZSCYRFKNNBSV-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](c1ccccc1F)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575517840 949240353 /nfs/dbraw/zinc/24/03/53/949240353.db2.gz ZDZSCYRFKNNBSV-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](CNC(=O)Cc1cc(F)ccc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574938456 949241062 /nfs/dbraw/zinc/24/10/62/949241062.db2.gz WLVWAGIEWOFREM-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1cc(F)ccc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574938456 949241081 /nfs/dbraw/zinc/24/10/81/949241081.db2.gz WLVWAGIEWOFREM-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575520961 949245615 /nfs/dbraw/zinc/24/56/15/949245615.db2.gz BCFMYNOOGPTSJZ-SNVBAGLBSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575520961 949245634 /nfs/dbraw/zinc/24/56/34/949245634.db2.gz BCFMYNOOGPTSJZ-SNVBAGLBSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574938710 949250688 /nfs/dbraw/zinc/25/06/88/949250688.db2.gz ZIXQFNYAOHROBV-NSHDSACASA-N -1 3 380.412 0.520 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574938710 949250716 /nfs/dbraw/zinc/25/07/16/949250716.db2.gz ZIXQFNYAOHROBV-NSHDSACASA-N -1 3 380.412 0.520 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575521186 949251060 /nfs/dbraw/zinc/25/10/60/949251060.db2.gz DHACPSMIOZQYCX-AAEUAGOBSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575521186 949251080 /nfs/dbraw/zinc/25/10/80/949251080.db2.gz DHACPSMIOZQYCX-AAEUAGOBSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574700250 949254378 /nfs/dbraw/zinc/25/43/78/949254378.db2.gz YJJZNHDCIFHCPK-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574700250 949254400 /nfs/dbraw/zinc/25/44/00/949254400.db2.gz YJJZNHDCIFHCPK-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001573792644 949257600 /nfs/dbraw/zinc/25/76/00/949257600.db2.gz SHRHENCAWUSBIE-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001573792644 949257623 /nfs/dbraw/zinc/25/76/23/949257623.db2.gz SHRHENCAWUSBIE-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521272 949258138 /nfs/dbraw/zinc/25/81/38/949258138.db2.gz FHHPFYQEEFGOHO-RYUDHWBXSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521272 949258157 /nfs/dbraw/zinc/25/81/57/949258157.db2.gz FHHPFYQEEFGOHO-RYUDHWBXSA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)(C)C(=O)N1CCC(CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573792689 949259033 /nfs/dbraw/zinc/25/90/33/949259033.db2.gz SOVJHFNFWJWEPC-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CCC(CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573792689 949259059 /nfs/dbraw/zinc/25/90/59/949259059.db2.gz SOVJHFNFWJWEPC-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576152658 949260567 /nfs/dbraw/zinc/26/05/67/949260567.db2.gz KBVXPAYFWOPUGZ-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576152658 949260582 /nfs/dbraw/zinc/26/05/82/949260582.db2.gz KBVXPAYFWOPUGZ-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001574452467 949261488 /nfs/dbraw/zinc/26/14/88/949261488.db2.gz KALRVXBQBLOMKJ-LBPRGKRZSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001574452467 949261510 /nfs/dbraw/zinc/26/15/10/949261510.db2.gz KALRVXBQBLOMKJ-LBPRGKRZSA-N -1 3 388.407 0.986 20 0 GCADHM C[C@H](c1nncn1C)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575521572 949262189 /nfs/dbraw/zinc/26/21/89/949262189.db2.gz GTCSLILQQVUKRM-LLVKDONJSA-N -1 3 382.432 0.232 20 0 GCADHM C[C@H](c1nncn1C)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575521572 949262208 /nfs/dbraw/zinc/26/22/08/949262208.db2.gz GTCSLILQQVUKRM-LLVKDONJSA-N -1 3 382.432 0.232 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)cn1 ZINC001574452469 949262231 /nfs/dbraw/zinc/26/22/31/949262231.db2.gz KFNSDZQOWJPMAR-LBPRGKRZSA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)cn1 ZINC001574452469 949262248 /nfs/dbraw/zinc/26/22/48/949262248.db2.gz KFNSDZQOWJPMAR-LBPRGKRZSA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573792731 949263378 /nfs/dbraw/zinc/26/33/78/949263378.db2.gz CWVKKLYLJAZVSZ-GOSISDBHSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573792731 949263400 /nfs/dbraw/zinc/26/34/00/949263400.db2.gz CWVKKLYLJAZVSZ-GOSISDBHSA-N -1 3 387.444 0.825 20 0 GCADHM C[C@H](c1csnn1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575521930 949266679 /nfs/dbraw/zinc/26/66/79/949266679.db2.gz IGFPKXKICHTLAT-GPCCPHFNSA-N -1 3 385.457 0.954 20 0 GCADHM C[C@H](c1csnn1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575521930 949266695 /nfs/dbraw/zinc/26/66/95/949266695.db2.gz IGFPKXKICHTLAT-GPCCPHFNSA-N -1 3 385.457 0.954 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573792878 949273634 /nfs/dbraw/zinc/27/36/34/949273634.db2.gz HJKKZOISXGYZFO-GHMZBOCLSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573792878 949273648 /nfs/dbraw/zinc/27/36/48/949273648.db2.gz HJKKZOISXGYZFO-GHMZBOCLSA-N -1 3 387.444 0.825 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)CCCO1 ZINC001575859995 949280984 /nfs/dbraw/zinc/28/09/84/949280984.db2.gz ACFRPZCANRXVJE-YGRLFVJLSA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)CCCO1 ZINC001575859995 949281000 /nfs/dbraw/zinc/28/10/00/949281000.db2.gz ACFRPZCANRXVJE-YGRLFVJLSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576153180 949283060 /nfs/dbraw/zinc/28/30/60/949283060.db2.gz LEOMLQRZODJLPQ-DIFFPNOSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576153180 949283084 /nfs/dbraw/zinc/28/30/84/949283084.db2.gz LEOMLQRZODJLPQ-DIFFPNOSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575523342 949285757 /nfs/dbraw/zinc/28/57/57/949285757.db2.gz AAJNPLRVDIHCMY-MWLCHTKSSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576153456 949285658 /nfs/dbraw/zinc/28/56/58/949285658.db2.gz MEDYTHOJTOKXED-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576153456 949285688 /nfs/dbraw/zinc/28/56/88/949285688.db2.gz MEDYTHOJTOKXED-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575523342 949285774 /nfs/dbraw/zinc/28/57/74/949285774.db2.gz AAJNPLRVDIHCMY-MWLCHTKSSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@H](c1cnccn1)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575523018 949288002 /nfs/dbraw/zinc/28/80/02/949288002.db2.gz OEQLOUMKVRCSAT-DGCLKSJQSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@H](c1cnccn1)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575523018 949288028 /nfs/dbraw/zinc/28/80/28/949288028.db2.gz OEQLOUMKVRCSAT-DGCLKSJQSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575258053 949289254 /nfs/dbraw/zinc/28/92/54/949289254.db2.gz DLYHBUQQKBHXNP-GHMZBOCLSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575258053 949289285 /nfs/dbraw/zinc/28/92/85/949289285.db2.gz DLYHBUQQKBHXNP-GHMZBOCLSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574941120 949290111 /nfs/dbraw/zinc/29/01/11/949290111.db2.gz OHUBFFZDLRTJKN-LLVKDONJSA-N -1 3 392.423 0.916 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574941120 949290127 /nfs/dbraw/zinc/29/01/27/949290127.db2.gz OHUBFFZDLRTJKN-LLVKDONJSA-N -1 3 392.423 0.916 20 0 GCADHM CC1=C(C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1 ZINC001575860259 949291078 /nfs/dbraw/zinc/29/10/78/949291078.db2.gz FLDLOCUELMZGJH-ZDUSSCGKSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1 ZINC001575860259 949291099 /nfs/dbraw/zinc/29/10/99/949291099.db2.gz FLDLOCUELMZGJH-ZDUSSCGKSA-N -1 3 385.428 0.952 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001574455000 949294456 /nfs/dbraw/zinc/29/44/56/949294456.db2.gz LBAGWGODZZRICE-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001574455000 949294473 /nfs/dbraw/zinc/29/44/73/949294473.db2.gz LBAGWGODZZRICE-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575860218 949294563 /nfs/dbraw/zinc/29/45/63/949294563.db2.gz DMCWUZDLHJXYBU-LBPRGKRZSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575860218 949294586 /nfs/dbraw/zinc/29/45/86/949294586.db2.gz DMCWUZDLHJXYBU-LBPRGKRZSA-N -1 3 385.428 0.952 20 0 GCADHM CC1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCC1 ZINC001575523568 949295627 /nfs/dbraw/zinc/29/56/27/949295627.db2.gz CIMWPIZMBXCWNP-UHFFFAOYSA-N -1 3 389.460 0.716 20 0 GCADHM CC1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCC1 ZINC001575523568 949295650 /nfs/dbraw/zinc/29/56/50/949295650.db2.gz CIMWPIZMBXCWNP-UHFFFAOYSA-N -1 3 389.460 0.716 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001574455002 949295387 /nfs/dbraw/zinc/29/53/87/949295387.db2.gz LBAGWGODZZRICE-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001574455002 949295405 /nfs/dbraw/zinc/29/54/05/949295405.db2.gz LBAGWGODZZRICE-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575860424 949297361 /nfs/dbraw/zinc/29/73/61/949297361.db2.gz HLCGICSHNOFNCA-UHFFFAOYSA-N -1 3 384.400 0.886 20 0 GCADHM CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575860424 949297382 /nfs/dbraw/zinc/29/73/82/949297382.db2.gz HLCGICSHNOFNCA-UHFFFAOYSA-N -1 3 384.400 0.886 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573793499 949297693 /nfs/dbraw/zinc/29/76/93/949297693.db2.gz SDZMUJNPWOGKMG-QWRGUYRKSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573793499 949297712 /nfs/dbraw/zinc/29/77/12/949297712.db2.gz SDZMUJNPWOGKMG-QWRGUYRKSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001574455629 949303191 /nfs/dbraw/zinc/30/31/91/949303191.db2.gz SLYZKNVQTDXQHN-LBPRGKRZSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001574455629 949303213 /nfs/dbraw/zinc/30/32/13/949303213.db2.gz SLYZKNVQTDXQHN-LBPRGKRZSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)CC(=O)N1CCC[C@H](N(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574108766 949303798 /nfs/dbraw/zinc/30/37/98/949303798.db2.gz QLNLEPPBYCUEBS-AWEZNQCLSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N1CCC[C@H](N(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574108766 949303813 /nfs/dbraw/zinc/30/38/13/949303813.db2.gz QLNLEPPBYCUEBS-AWEZNQCLSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573793796 949304923 /nfs/dbraw/zinc/30/49/23/949304923.db2.gz ZUXLALCBLJJESM-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573793796 949304945 /nfs/dbraw/zinc/30/49/45/949304945.db2.gz ZUXLALCBLJJESM-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC1=C(C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)[C@H](C)n2nnnc2N1C ZINC001575860742 949307439 /nfs/dbraw/zinc/30/74/39/949307439.db2.gz LKTKGVHMXUMBDN-ZETCQYMHSA-N -1 3 382.392 0.377 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)CCCO1 ZINC001575860623 949308289 /nfs/dbraw/zinc/30/82/89/949308289.db2.gz KBTFPKNGTVBSPJ-MEBBXXQBSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)CCCO1 ZINC001575860623 949308319 /nfs/dbraw/zinc/30/83/19/949308319.db2.gz KBTFPKNGTVBSPJ-MEBBXXQBSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860632 949308565 /nfs/dbraw/zinc/30/85/65/949308565.db2.gz KILLSJIHRLPHSV-ZDUSSCGKSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860632 949308585 /nfs/dbraw/zinc/30/85/85/949308585.db2.gz KILLSJIHRLPHSV-ZDUSSCGKSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860892 949308840 /nfs/dbraw/zinc/30/88/40/949308840.db2.gz LPTQPHRFDBXRJC-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860892 949308863 /nfs/dbraw/zinc/30/88/63/949308863.db2.gz LPTQPHRFDBXRJC-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153995 949310131 /nfs/dbraw/zinc/31/01/31/949310131.db2.gz OEBHGBICSNGPMQ-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153995 949310148 /nfs/dbraw/zinc/31/01/48/949310148.db2.gz OEBHGBICSNGPMQ-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576153952 949311579 /nfs/dbraw/zinc/31/15/79/949311579.db2.gz NMIRVSLEZKZSHV-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576153952 949311600 /nfs/dbraw/zinc/31/16/00/949311600.db2.gz NMIRVSLEZKZSHV-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574703173 949312330 /nfs/dbraw/zinc/31/23/30/949312330.db2.gz SONAZHMNVBZTRK-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574703173 949312349 /nfs/dbraw/zinc/31/23/49/949312349.db2.gz SONAZHMNVBZTRK-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](c1cnccn1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575524131 949312579 /nfs/dbraw/zinc/31/25/79/949312579.db2.gz SGDLENKCHOYVLG-HWWQOWPSSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@@H](c1cnccn1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575524131 949312603 /nfs/dbraw/zinc/31/26/03/949312603.db2.gz SGDLENKCHOYVLG-HWWQOWPSSA-N -1 3 379.428 0.892 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001574455671 949312835 /nfs/dbraw/zinc/31/28/35/949312835.db2.gz VUHFUULXPJGYQU-PHIMTYICSA-N -1 3 384.404 0.058 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001574455671 949312861 /nfs/dbraw/zinc/31/28/61/949312861.db2.gz VUHFUULXPJGYQU-PHIMTYICSA-N -1 3 384.404 0.058 20 0 GCADHM C[C@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574703174 949314830 /nfs/dbraw/zinc/31/48/30/949314830.db2.gz SONAZHMNVBZTRK-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574703174 949314849 /nfs/dbraw/zinc/31/48/49/949314849.db2.gz SONAZHMNVBZTRK-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573794616 949315355 /nfs/dbraw/zinc/31/53/55/949315355.db2.gz GMRRHAXAVKRIFU-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573794616 949315377 /nfs/dbraw/zinc/31/53/77/949315377.db2.gz GMRRHAXAVKRIFU-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575524479 949316522 /nfs/dbraw/zinc/31/65/22/949316522.db2.gz SYVABBXXHMEUQS-KOLCDFICSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575524479 949316539 /nfs/dbraw/zinc/31/65/39/949316539.db2.gz SYVABBXXHMEUQS-KOLCDFICSA-N -1 3 389.445 0.238 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)CCCO1 ZINC001575861227 949318660 /nfs/dbraw/zinc/31/86/60/949318660.db2.gz QLPDSKGSBCAATR-BONVTDFDSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)CCCO1 ZINC001575861227 949318685 /nfs/dbraw/zinc/31/86/85/949318685.db2.gz QLPDSKGSBCAATR-BONVTDFDSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](c1ncccn1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575524500 949319324 /nfs/dbraw/zinc/31/93/24/949319324.db2.gz UDCQIZPSIWBKMG-GFCCVEGCSA-N -1 3 379.428 0.894 20 0 GCADHM C[C@H](c1ncccn1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575524500 949319340 /nfs/dbraw/zinc/31/93/40/949319340.db2.gz UDCQIZPSIWBKMG-GFCCVEGCSA-N -1 3 379.428 0.894 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)CCCO1 ZINC001575861228 949321179 /nfs/dbraw/zinc/32/11/79/949321179.db2.gz QLPDSKGSBCAATR-MEBBXXQBSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)CCCO1 ZINC001575861228 949321202 /nfs/dbraw/zinc/32/12/02/949321202.db2.gz QLPDSKGSBCAATR-MEBBXXQBSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001575524576 949322925 /nfs/dbraw/zinc/32/29/25/949322925.db2.gz UVTMSEQOQJSJGN-RSXIPKFTSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001575524576 949322946 /nfs/dbraw/zinc/32/29/46/949322946.db2.gz UVTMSEQOQJSJGN-RSXIPKFTSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@H](CNC(=O)Cc1cccc(F)c1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574941840 949324248 /nfs/dbraw/zinc/32/42/48/949324248.db2.gz UDFCPOJFVXVVNO-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1cccc(F)c1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574941840 949324266 /nfs/dbraw/zinc/32/42/66/949324266.db2.gz UDFCPOJFVXVVNO-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575259498 949327384 /nfs/dbraw/zinc/32/73/84/949327384.db2.gz PDIIJBWLPLHBJH-RYUDHWBXSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575259498 949327402 /nfs/dbraw/zinc/32/74/02/949327402.db2.gz PDIIJBWLPLHBJH-RYUDHWBXSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575524629 949329915 /nfs/dbraw/zinc/32/99/15/949329915.db2.gz UZUUOPSZYHFUEM-UHIISALHSA-N -1 3 382.432 0.231 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575524629 949329936 /nfs/dbraw/zinc/32/99/36/949329936.db2.gz UZUUOPSZYHFUEM-UHIISALHSA-N -1 3 382.432 0.231 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574457697 949330631 /nfs/dbraw/zinc/33/06/31/949330631.db2.gz MZPFJZURVZJEMP-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574457697 949330653 /nfs/dbraw/zinc/33/06/53/949330653.db2.gz MZPFJZURVZJEMP-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575525055 949330953 /nfs/dbraw/zinc/33/09/53/949330953.db2.gz VVUFWMPNLGBWPM-XWLWVQCSSA-N -1 3 385.457 0.715 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575525055 949330977 /nfs/dbraw/zinc/33/09/77/949330977.db2.gz VVUFWMPNLGBWPM-XWLWVQCSSA-N -1 3 385.457 0.715 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575259609 949332777 /nfs/dbraw/zinc/33/27/77/949332777.db2.gz PTFAMYQNNUVAKZ-LLVKDONJSA-N -1 3 388.403 0.831 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575525086 949332860 /nfs/dbraw/zinc/33/28/60/949332860.db2.gz WACIMTSWEIELDM-WCQYABFASA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575525086 949332884 /nfs/dbraw/zinc/33/28/84/949332884.db2.gz WACIMTSWEIELDM-WCQYABFASA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574109835 949334666 /nfs/dbraw/zinc/33/46/66/949334666.db2.gz FHCUILDVAAZQFQ-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574109835 949334690 /nfs/dbraw/zinc/33/46/90/949334690.db2.gz FHCUILDVAAZQFQ-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)N1CCN(C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001573796496 949336007 /nfs/dbraw/zinc/33/60/07/949336007.db2.gz RSHAKZSIQBTQLS-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)(C)C(=O)N1CCN(C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001573796496 949336031 /nfs/dbraw/zinc/33/60/31/949336031.db2.gz RSHAKZSIQBTQLS-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574458638 949340097 /nfs/dbraw/zinc/34/00/97/949340097.db2.gz VIGNTUGXKIZILD-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574458638 949340122 /nfs/dbraw/zinc/34/01/22/949340122.db2.gz VIGNTUGXKIZILD-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)n1 ZINC001574458278 949341673 /nfs/dbraw/zinc/34/16/73/949341673.db2.gz RVGTYVQLIRDFBZ-LLVKDONJSA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)n1 ZINC001574458278 949341693 /nfs/dbraw/zinc/34/16/93/949341693.db2.gz RVGTYVQLIRDFBZ-LLVKDONJSA-N -1 3 389.395 0.381 20 0 GCADHM C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260062 949342458 /nfs/dbraw/zinc/34/24/58/949342458.db2.gz UAGRXEWAAIGOBO-YPMHNXCESA-N -1 3 385.428 0.508 20 0 GCADHM C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260062 949342476 /nfs/dbraw/zinc/34/24/76/949342476.db2.gz UAGRXEWAAIGOBO-YPMHNXCESA-N -1 3 385.428 0.508 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)C1 ZINC001573796933 949342352 /nfs/dbraw/zinc/34/23/52/949342352.db2.gz XHPMPMJAROCCNE-OAHLLOKOSA-N -1 3 384.440 0.982 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)C1 ZINC001573796933 949342373 /nfs/dbraw/zinc/34/23/73/949342373.db2.gz XHPMPMJAROCCNE-OAHLLOKOSA-N -1 3 384.440 0.982 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001575863179 949347966 /nfs/dbraw/zinc/34/79/66/949347966.db2.gz ACXLMERAEWPKES-CQSZACIVSA-N -1 3 387.425 0.505 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001575863179 949347984 /nfs/dbraw/zinc/34/79/84/949347984.db2.gz ACXLMERAEWPKES-CQSZACIVSA-N -1 3 387.425 0.505 20 0 GCADHM C[C@H](c1nncn1C)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575525578 949349597 /nfs/dbraw/zinc/34/95/97/949349597.db2.gz YLVBWOHEEFAYRJ-LLVKDONJSA-N -1 3 382.432 0.232 20 0 GCADHM C[C@H](c1nncn1C)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575525578 949349621 /nfs/dbraw/zinc/34/96/21/949349621.db2.gz YLVBWOHEEFAYRJ-LLVKDONJSA-N -1 3 382.432 0.232 20 0 GCADHM C[C@H]1C(=O)NCCN1C(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001575863727 949350160 /nfs/dbraw/zinc/35/01/60/949350160.db2.gz DHGLEXAYMLJLHY-LBPRGKRZSA-N -1 3 392.423 0.834 20 0 GCADHM C[C@H]1C(=O)NCCN1C(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001575863727 949350181 /nfs/dbraw/zinc/35/01/81/949350181.db2.gz DHGLEXAYMLJLHY-LBPRGKRZSA-N -1 3 392.423 0.834 20 0 GCADHM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260438 949353056 /nfs/dbraw/zinc/35/30/56/949353056.db2.gz VYJAYIUFMFRGPR-VXGBXAGGSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260438 949353074 /nfs/dbraw/zinc/35/30/74/949353074.db2.gz VYJAYIUFMFRGPR-VXGBXAGGSA-N -1 3 385.428 0.856 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573798466 949353236 /nfs/dbraw/zinc/35/32/36/949353236.db2.gz BTXUSQYHUFEZDU-NSHDSACASA-N -1 3 389.435 0.863 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573798466 949353260 /nfs/dbraw/zinc/35/32/60/949353260.db2.gz BTXUSQYHUFEZDU-NSHDSACASA-N -1 3 389.435 0.863 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC(C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575525847 949354655 /nfs/dbraw/zinc/35/46/55/949354655.db2.gz RLUMWHAFGZMYEI-JTQLQIEISA-N -1 3 385.436 0.064 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC(C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575525847 949354672 /nfs/dbraw/zinc/35/46/72/949354672.db2.gz RLUMWHAFGZMYEI-JTQLQIEISA-N -1 3 385.436 0.064 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573798744 949356245 /nfs/dbraw/zinc/35/62/45/949356245.db2.gz DLBXQCHWMWFTOW-GFCCVEGCSA-N -1 3 386.460 0.684 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573798744 949356265 /nfs/dbraw/zinc/35/62/65/949356265.db2.gz DLBXQCHWMWFTOW-GFCCVEGCSA-N -1 3 386.460 0.684 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001575260699 949360110 /nfs/dbraw/zinc/36/01/10/949360110.db2.gz WVNOVLQLQSQFRS-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001575260699 949360131 /nfs/dbraw/zinc/36/01/31/949360131.db2.gz WVNOVLQLQSQFRS-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)n1 ZINC001574459559 949360544 /nfs/dbraw/zinc/36/05/44/949360544.db2.gz JHYXZXCFXPTMRP-NHAGDIPZSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)n1 ZINC001574459559 949360565 /nfs/dbraw/zinc/36/05/65/949360565.db2.gz JHYXZXCFXPTMRP-NHAGDIPZSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001574459831 949367202 /nfs/dbraw/zinc/36/72/02/949367202.db2.gz LVLJHWWNOXIALD-OAHLLOKOSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001574459831 949367226 /nfs/dbraw/zinc/36/72/26/949367226.db2.gz LVLJHWWNOXIALD-OAHLLOKOSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574704232 949375859 /nfs/dbraw/zinc/37/58/59/949375859.db2.gz BFIYUGPECGMWQI-GXFFZTMASA-N -1 3 390.423 0.671 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574704232 949375879 /nfs/dbraw/zinc/37/58/79/949375879.db2.gz BFIYUGPECGMWQI-GXFFZTMASA-N -1 3 390.423 0.671 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575262769 949379801 /nfs/dbraw/zinc/37/98/01/949379801.db2.gz CAWZZCRIYVUSSZ-WDEREUQCSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575262769 949379823 /nfs/dbraw/zinc/37/98/23/949379823.db2.gz CAWZZCRIYVUSSZ-WDEREUQCSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574463790 949380214 /nfs/dbraw/zinc/38/02/14/949380214.db2.gz AJCHCJHMGGJSSX-LBPRGKRZSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574463790 949380237 /nfs/dbraw/zinc/38/02/37/949380237.db2.gz AJCHCJHMGGJSSX-LBPRGKRZSA-N -1 3 386.416 0.098 20 0 GCADHM CC1(C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC=CC1 ZINC001575528070 949384279 /nfs/dbraw/zinc/38/42/79/949384279.db2.gz MDMWVCGKCVWXPO-UHFFFAOYSA-N -1 3 385.428 0.244 20 0 GCADHM CC1(C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC=CC1 ZINC001575528070 949384300 /nfs/dbraw/zinc/38/43/00/949384300.db2.gz MDMWVCGKCVWXPO-UHFFFAOYSA-N -1 3 385.428 0.244 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575527942 949384540 /nfs/dbraw/zinc/38/45/40/949384540.db2.gz JYILTQQXLBKCRJ-UGSOOPFHSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575527942 949384563 /nfs/dbraw/zinc/38/45/63/949384563.db2.gz JYILTQQXLBKCRJ-UGSOOPFHSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575527940 949386052 /nfs/dbraw/zinc/38/60/52/949386052.db2.gz JYILTQQXLBKCRJ-FZKQIMNGSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575527940 949386067 /nfs/dbraw/zinc/38/60/67/949386067.db2.gz JYILTQQXLBKCRJ-FZKQIMNGSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575527941 949386806 /nfs/dbraw/zinc/38/68/06/949386806.db2.gz JYILTQQXLBKCRJ-SCLBCKFNSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575527941 949386831 /nfs/dbraw/zinc/38/68/31/949386831.db2.gz JYILTQQXLBKCRJ-SCLBCKFNSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575527953 949387524 /nfs/dbraw/zinc/38/75/24/949387524.db2.gz KFVPDMZWXQQITD-FZKQIMNGSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575527953 949387541 /nfs/dbraw/zinc/38/75/41/949387541.db2.gz KFVPDMZWXQQITD-FZKQIMNGSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573800286 949388480 /nfs/dbraw/zinc/38/84/80/949388480.db2.gz WLYZULGDMDKQGE-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573800286 949388501 /nfs/dbraw/zinc/38/85/01/949388501.db2.gz WLYZULGDMDKQGE-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576155198 949389286 /nfs/dbraw/zinc/38/92/86/949389286.db2.gz TWCNBZRSWHVDFX-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576155198 949389304 /nfs/dbraw/zinc/38/93/04/949389304.db2.gz TWCNBZRSWHVDFX-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C(=O)N2CC3(C2)CC[C@@H](CNC(=O)c2c[nH]c(-c4nnn[n-]4)c2)O3)CC1 ZINC001575528281 949392680 /nfs/dbraw/zinc/39/26/80/949392680.db2.gz QOBYMQDFJNDSSB-LBPRGKRZSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N2CC3(C2)CC[C@@H](CNC(=O)c2c[nH]c(-c4nn[n-]n4)c2)O3)CC1 ZINC001575528281 949392703 /nfs/dbraw/zinc/39/27/03/949392703.db2.gz QOBYMQDFJNDSSB-LBPRGKRZSA-N -1 3 385.428 0.485 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001573800548 949394681 /nfs/dbraw/zinc/39/46/81/949394681.db2.gz YMHNTFZVDSKODM-STQMWFEESA-N -1 3 384.444 0.214 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573800548 949394697 /nfs/dbraw/zinc/39/46/97/949394697.db2.gz YMHNTFZVDSKODM-STQMWFEESA-N -1 3 384.444 0.214 20 0 GCADHM C[C@H]1C(=O)NCCN1C(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001575865948 949395585 /nfs/dbraw/zinc/39/55/85/949395585.db2.gz PCBIPSWMLAAGAE-NSHDSACASA-N -1 3 381.400 0.464 20 0 GCADHM C[C@H]1C(=O)NCCN1C(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001575865948 949395595 /nfs/dbraw/zinc/39/55/95/949395595.db2.gz PCBIPSWMLAAGAE-NSHDSACASA-N -1 3 381.400 0.464 20 0 GCADHM CC(C)CC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001574113240 949398335 /nfs/dbraw/zinc/39/83/35/949398335.db2.gz OYGFKYKKMPZASN-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)CC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001574113240 949398362 /nfs/dbraw/zinc/39/83/62/949398362.db2.gz OYGFKYKKMPZASN-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576155392 949398820 /nfs/dbraw/zinc/39/88/20/949398820.db2.gz UFGFCBDKHPPLFE-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576155392 949398841 /nfs/dbraw/zinc/39/88/41/949398841.db2.gz UFGFCBDKHPPLFE-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576155393 949399882 /nfs/dbraw/zinc/39/98/82/949399882.db2.gz UFGFCBDKHPPLFE-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576155393 949399903 /nfs/dbraw/zinc/39/99/03/949399903.db2.gz UFGFCBDKHPPLFE-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574704575 949400445 /nfs/dbraw/zinc/40/04/45/949400445.db2.gz DBEVAZLOHNQGTD-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704575 949400451 /nfs/dbraw/zinc/40/04/51/949400451.db2.gz DBEVAZLOHNQGTD-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001573801460 949401082 /nfs/dbraw/zinc/40/10/82/949401082.db2.gz AKWQLZAUPBDTCV-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C)C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001573801460 949401089 /nfs/dbraw/zinc/40/10/89/949401089.db2.gz AKWQLZAUPBDTCV-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)Cc1cnn(C)c1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574945012 949405210 /nfs/dbraw/zinc/40/52/10/949405210.db2.gz IONUIBBJVAHWJZ-SNVBAGLBSA-N -1 3 389.851 0.832 20 0 GCADHM C[C@H](CNC(=O)Cc1cnn(C)c1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574945012 949405226 /nfs/dbraw/zinc/40/52/26/949405226.db2.gz IONUIBBJVAHWJZ-SNVBAGLBSA-N -1 3 389.851 0.832 20 0 GCADHM C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575263764 949405576 /nfs/dbraw/zinc/40/55/76/949405576.db2.gz JGJVOEYJCWWQCL-YPMLDQLKSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575263764 949405586 /nfs/dbraw/zinc/40/55/86/949405586.db2.gz JGJVOEYJCWWQCL-YPMLDQLKSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575263763 949405962 /nfs/dbraw/zinc/40/59/62/949405962.db2.gz JGJVOEYJCWWQCL-XTZNXHDOSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575263763 949405972 /nfs/dbraw/zinc/40/59/72/949405972.db2.gz JGJVOEYJCWWQCL-XTZNXHDOSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C(=O)N2CC[C@@H](N3CCN(c4cncc(-c5nn[n-]n5)n4)CC3)C2)CC1 ZINC001575532821 949407161 /nfs/dbraw/zinc/40/71/61/949407161.db2.gz ADKGEKGUESBTOG-CYBMUJFWSA-N -1 3 383.460 0.180 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573801915 949407124 /nfs/dbraw/zinc/40/71/24/949407124.db2.gz ATNVEDWZOHZXGT-BETUJISGSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573801915 949407146 /nfs/dbraw/zinc/40/71/46/949407146.db2.gz ATNVEDWZOHZXGT-BETUJISGSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575263895 949410503 /nfs/dbraw/zinc/41/05/03/949410503.db2.gz LEAYDHUAMICHLJ-MGNBDDOMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575263895 949410519 /nfs/dbraw/zinc/41/05/19/949410519.db2.gz LEAYDHUAMICHLJ-MGNBDDOMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574464351 949411543 /nfs/dbraw/zinc/41/15/43/949411543.db2.gz LYAMDIOTGYENEJ-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574464351 949411559 /nfs/dbraw/zinc/41/15/59/949411559.db2.gz LYAMDIOTGYENEJ-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574114607 949414225 /nfs/dbraw/zinc/41/42/25/949414225.db2.gz VRJVCIOGFKNKRP-LBPRGKRZSA-N -1 3 377.380 0.351 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574114607 949414235 /nfs/dbraw/zinc/41/42/35/949414235.db2.gz VRJVCIOGFKNKRP-LBPRGKRZSA-N -1 3 377.380 0.351 20 0 GCADHM CC(C)n1cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574464526 949416227 /nfs/dbraw/zinc/41/62/27/949416227.db2.gz KKEBUZFMICMPOT-UKRRQHHQSA-N -1 3 398.427 0.193 20 0 GCADHM CC(C)n1cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574464526 949416239 /nfs/dbraw/zinc/41/62/39/949416239.db2.gz KKEBUZFMICMPOT-UKRRQHHQSA-N -1 3 398.427 0.193 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576155908 949421977 /nfs/dbraw/zinc/42/19/77/949421977.db2.gz KJTRWXCNDNYFTQ-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576155908 949421993 /nfs/dbraw/zinc/42/19/93/949421993.db2.gz KJTRWXCNDNYFTQ-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)n1cnc(C(=O)NC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)c1 ZINC001574465009 949423671 /nfs/dbraw/zinc/42/36/71/949423671.db2.gz SORPSZXBYJDCOV-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1cnc(C(=O)NC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)c1 ZINC001574465009 949423695 /nfs/dbraw/zinc/42/36/95/949423695.db2.gz SORPSZXBYJDCOV-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573802835 949423985 /nfs/dbraw/zinc/42/39/85/949423985.db2.gz JHFGSDBEIHEWOM-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573802835 949424001 /nfs/dbraw/zinc/42/40/01/949424001.db2.gz JHFGSDBEIHEWOM-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)n1cnc(C(=O)N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)c1 ZINC001574465056 949425011 /nfs/dbraw/zinc/42/50/11/949425011.db2.gz VDHGMNGCHDOTPS-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1cnc(C(=O)N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)c1 ZINC001574465056 949425030 /nfs/dbraw/zinc/42/50/30/949425030.db2.gz VDHGMNGCHDOTPS-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575534810 949431794 /nfs/dbraw/zinc/43/17/94/949431794.db2.gz QDVGQYGXUMSQDS-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575534810 949431807 /nfs/dbraw/zinc/43/18/07/949431807.db2.gz QDVGQYGXUMSQDS-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576156183 949432715 /nfs/dbraw/zinc/43/27/15/949432715.db2.gz XOKISICIGBQLDB-GXTWGEPZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576156183 949432727 /nfs/dbraw/zinc/43/27/27/949432727.db2.gz XOKISICIGBQLDB-GXTWGEPZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](NC(=O)[C@H]1COCCO1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575264956 949437061 /nfs/dbraw/zinc/43/70/61/949437061.db2.gz RFNMGOQRUFMILY-GXFFZTMASA-N -1 3 378.458 0.280 20 0 GCADHM C[C@@H](CNC(=O)Cc1ncccc1F)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574946649 949440158 /nfs/dbraw/zinc/44/01/58/949440158.db2.gz XCOHWRDHCTVTHX-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CNC(=O)Cc1ncccc1F)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574946649 949440174 /nfs/dbraw/zinc/44/01/74/949440174.db2.gz XCOHWRDHCTVTHX-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575535364 949443837 /nfs/dbraw/zinc/44/38/37/949443837.db2.gz VVMUQCPVGIRWFC-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575535364 949443869 /nfs/dbraw/zinc/44/38/69/949443869.db2.gz VVMUQCPVGIRWFC-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575265075 949445142 /nfs/dbraw/zinc/44/51/42/949445142.db2.gz SFORQELUUBSCCO-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575265075 949445154 /nfs/dbraw/zinc/44/51/54/949445154.db2.gz SFORQELUUBSCCO-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576156498 949446165 /nfs/dbraw/zinc/44/61/65/949446165.db2.gz WUECIMLJVZTVQG-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576156498 949446179 /nfs/dbraw/zinc/44/61/79/949446179.db2.gz WUECIMLJVZTVQG-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001574466019 949448680 /nfs/dbraw/zinc/44/86/80/949448680.db2.gz ZYZLSFQRCKUKFA-GDBMZVCRSA-N -1 3 382.428 0.624 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001574466019 949448698 /nfs/dbraw/zinc/44/86/98/949448698.db2.gz ZYZLSFQRCKUKFA-GDBMZVCRSA-N -1 3 382.428 0.624 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574947404 949449112 /nfs/dbraw/zinc/44/91/12/949449112.db2.gz AIKVGQRKCPVFBK-SNVBAGLBSA-N -1 3 383.416 0.203 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574947404 949449136 /nfs/dbraw/zinc/44/91/36/949449136.db2.gz AIKVGQRKCPVFBK-SNVBAGLBSA-N -1 3 383.416 0.203 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574706192 949450683 /nfs/dbraw/zinc/45/06/83/949450683.db2.gz LKQCEAKWABAGLP-GHMZBOCLSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNC(=O)Cn1ccnc1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574947865 949452515 /nfs/dbraw/zinc/45/25/15/949452515.db2.gz FIDFSYCXTYDQTA-SNVBAGLBSA-N -1 3 375.824 0.753 20 0 GCADHM C[C@H](CNC(=O)Cn1ccnc1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574947865 949452527 /nfs/dbraw/zinc/45/25/27/949452527.db2.gz FIDFSYCXTYDQTA-SNVBAGLBSA-N -1 3 375.824 0.753 20 0 GCADHM C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575265599 949454065 /nfs/dbraw/zinc/45/40/65/949454065.db2.gz VMEOJPZOGFJDNF-LKFCYVNXSA-N -1 3 389.391 0.051 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573803920 949455919 /nfs/dbraw/zinc/45/59/19/949455919.db2.gz XNNREHAQHAXKPN-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573803920 949455938 /nfs/dbraw/zinc/45/59/38/949455938.db2.gz XNNREHAQHAXKPN-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001575535974 949457909 /nfs/dbraw/zinc/45/79/09/949457909.db2.gz CRRMXIZBXFQRPC-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001575535974 949457918 /nfs/dbraw/zinc/45/79/18/949457918.db2.gz CRRMXIZBXFQRPC-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N2CCC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCC1 ZINC001575535970 949459863 /nfs/dbraw/zinc/45/98/63/949459863.db2.gz CQFKCRQAGGXWJL-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CCC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCC1 ZINC001575535970 949459870 /nfs/dbraw/zinc/45/98/70/949459870.db2.gz CQFKCRQAGGXWJL-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCC1 ZINC001575535956 949460026 /nfs/dbraw/zinc/46/00/26/949460026.db2.gz CGWLQZWXZNYKSM-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCC1 ZINC001575535956 949460034 /nfs/dbraw/zinc/46/00/34/949460034.db2.gz CGWLQZWXZNYKSM-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575536259 949463653 /nfs/dbraw/zinc/46/36/53/949463653.db2.gz GIYVYYMRSMGRMJ-BBATYDOGSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575536259 949463675 /nfs/dbraw/zinc/46/36/75/949463675.db2.gz GIYVYYMRSMGRMJ-BBATYDOGSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574707304 949467117 /nfs/dbraw/zinc/46/71/17/949467117.db2.gz OOZYIVINLYTGSS-FZMZJTMJSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574707304 949467128 /nfs/dbraw/zinc/46/71/28/949467128.db2.gz OOZYIVINLYTGSS-FZMZJTMJSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574948564 949467543 /nfs/dbraw/zinc/46/75/43/949467543.db2.gz LGINSCVGSYQSDX-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574948564 949467559 /nfs/dbraw/zinc/46/75/59/949467559.db2.gz LGINSCVGSYQSDX-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001573804335 949467713 /nfs/dbraw/zinc/46/77/13/949467713.db2.gz UUZAWGLFSDYNEQ-UHFFFAOYSA-N -1 3 375.389 0.296 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001573804335 949467723 /nfs/dbraw/zinc/46/77/23/949467723.db2.gz UUZAWGLFSDYNEQ-UHFFFAOYSA-N -1 3 375.389 0.296 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574468794 949468087 /nfs/dbraw/zinc/46/80/87/949468087.db2.gz QZLRGIUBXONHOO-CYBMUJFWSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574468794 949468103 /nfs/dbraw/zinc/46/81/03/949468103.db2.gz QZLRGIUBXONHOO-CYBMUJFWSA-N -1 3 385.432 0.584 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575536381 949469206 /nfs/dbraw/zinc/46/92/06/949469206.db2.gz HZGQZEJVEQSBNT-BBATYDOGSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575536381 949469222 /nfs/dbraw/zinc/46/92/22/949469222.db2.gz HZGQZEJVEQSBNT-BBATYDOGSA-N -1 3 387.419 0.935 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574469185 949471401 /nfs/dbraw/zinc/47/14/01/949471401.db2.gz YLQIKEFGKDVQGZ-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574469185 949471413 /nfs/dbraw/zinc/47/14/13/949471413.db2.gz YLQIKEFGKDVQGZ-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574468910 949473003 /nfs/dbraw/zinc/47/30/03/949473003.db2.gz UXXQWVMCCOZQRJ-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574468910 949473017 /nfs/dbraw/zinc/47/30/17/949473017.db2.gz UXXQWVMCCOZQRJ-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575266192 949473011 /nfs/dbraw/zinc/47/30/11/949473011.db2.gz XWEXMFUZSDCNMB-MNOVXSKESA-N -1 3 389.485 0.391 20 0 GCADHM CC1(C(=O)N2CCC(O)(CNc3ncc(-c4nnn[n-]4)cc3F)CC2)CC1 ZINC001575536559 949473447 /nfs/dbraw/zinc/47/34/47/949473447.db2.gz JQMFYWNCGRPLIG-UHFFFAOYSA-N -1 3 375.408 0.966 20 0 GCADHM CC1(C(=O)N2CCC(O)(CNc3ncc(-c4nn[n-]n4)cc3F)CC2)CC1 ZINC001575536559 949473469 /nfs/dbraw/zinc/47/34/69/949473469.db2.gz JQMFYWNCGRPLIG-UHFFFAOYSA-N -1 3 375.408 0.966 20 0 GCADHM C[C@](CNC(=O)Cn1cccn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574948844 949474226 /nfs/dbraw/zinc/47/42/26/949474226.db2.gz NOGJPRRWDTUCFV-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@](CNC(=O)Cn1cccn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574948844 949474233 /nfs/dbraw/zinc/47/42/33/949474233.db2.gz NOGJPRRWDTUCFV-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@](CNC(=O)Cn1ccnc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574948935 949477206 /nfs/dbraw/zinc/47/72/06/949477206.db2.gz OLXDSNPGZYATIE-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574949017 949480266 /nfs/dbraw/zinc/48/02/66/949480266.db2.gz PRYLGKDHYADXAP-LBPRGKRZSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574949017 949480286 /nfs/dbraw/zinc/48/02/86/949480286.db2.gz PRYLGKDHYADXAP-LBPRGKRZSA-N -1 3 384.448 0.841 20 0 GCADHM C[C@H](CNC(=O)Cn1cccn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949039 949481801 /nfs/dbraw/zinc/48/18/01/949481801.db2.gz PTICLLNZEJTYGC-SNVBAGLBSA-N -1 3 375.824 0.753 20 0 GCADHM C[C@H](CNC(=O)Cn1cccn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949039 949481813 /nfs/dbraw/zinc/48/18/13/949481813.db2.gz PTICLLNZEJTYGC-SNVBAGLBSA-N -1 3 375.824 0.753 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574117902 949482395 /nfs/dbraw/zinc/48/23/95/949482395.db2.gz AUMWVAIPDOBEPI-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574117902 949482414 /nfs/dbraw/zinc/48/24/14/949482414.db2.gz AUMWVAIPDOBEPI-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574469784 949482650 /nfs/dbraw/zinc/48/26/50/949482650.db2.gz GXAFGYAPMZWWPO-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574469784 949482667 /nfs/dbraw/zinc/48/26/67/949482667.db2.gz GXAFGYAPMZWWPO-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CCCC1 ZINC001575537124 949485093 /nfs/dbraw/zinc/48/50/93/949485093.db2.gz ROEWXXGQETUXKT-OCCSQVGLSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CCCC1 ZINC001575537124 949485109 /nfs/dbraw/zinc/48/51/09/949485109.db2.gz ROEWXXGQETUXKT-OCCSQVGLSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574949159 949486382 /nfs/dbraw/zinc/48/63/82/949486382.db2.gz RIDFIECYHNWLLV-VIFPVBQESA-N -1 3 391.823 0.227 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574949159 949486395 /nfs/dbraw/zinc/48/63/95/949486395.db2.gz RIDFIECYHNWLLV-VIFPVBQESA-N -1 3 391.823 0.227 20 0 GCADHM C[C@@H](NC(=O)CC1OCCCO1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575266676 949486795 /nfs/dbraw/zinc/48/67/95/949486795.db2.gz DKXIRLWCTNVTBV-ZJUUUORDSA-N -1 3 379.396 0.859 20 0 GCADHM C[C@@H](NC(=O)CC1OCCCO1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575266676 949486804 /nfs/dbraw/zinc/48/68/04/949486804.db2.gz DKXIRLWCTNVTBV-ZJUUUORDSA-N -1 3 379.396 0.859 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576157718 949492347 /nfs/dbraw/zinc/49/23/47/949492347.db2.gz RSMYJIHHDGUZKG-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576157718 949492364 /nfs/dbraw/zinc/49/23/64/949492364.db2.gz RSMYJIHHDGUZKG-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)Cn1ccnc1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949403 949494594 /nfs/dbraw/zinc/49/45/94/949494594.db2.gz VRKVNDYCEPKUPB-SNVBAGLBSA-N -1 3 375.824 0.976 20 0 GCADHM C[C@H](CNC(=O)Cn1ccnc1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949403 949494611 /nfs/dbraw/zinc/49/46/11/949494611.db2.gz VRKVNDYCEPKUPB-SNVBAGLBSA-N -1 3 375.824 0.976 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cn1ccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573807948 949505239 /nfs/dbraw/zinc/50/52/39/949505239.db2.gz AUAIKMXYZVRQQY-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1=CCOCC1 ZINC001573808142 949507288 /nfs/dbraw/zinc/50/72/88/949507288.db2.gz CWKKYDMLVVOTPW-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1=CCOCC1 ZINC001573808142 949507305 /nfs/dbraw/zinc/50/73/05/949507305.db2.gz CWKKYDMLVVOTPW-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808217 949511577 /nfs/dbraw/zinc/51/15/77/949511577.db2.gz FAOQRAAQDCPEPM-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808217 949511594 /nfs/dbraw/zinc/51/15/94/949511594.db2.gz FAOQRAAQDCPEPM-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808388 949511961 /nfs/dbraw/zinc/51/19/61/949511961.db2.gz FRVIOICBEQZLGB-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808388 949511976 /nfs/dbraw/zinc/51/19/76/949511976.db2.gz FRVIOICBEQZLGB-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574121367 949513519 /nfs/dbraw/zinc/51/35/19/949513519.db2.gz OZQIYEXOZSRVRY-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574121367 949513536 /nfs/dbraw/zinc/51/35/36/949513536.db2.gz OZQIYEXOZSRVRY-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808661 949524687 /nfs/dbraw/zinc/52/46/87/949524687.db2.gz HVDVDXRFXPGGFZ-CHWSQXEVSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808661 949524709 /nfs/dbraw/zinc/52/47/09/949524709.db2.gz HVDVDXRFXPGGFZ-CHWSQXEVSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001573808703 949525167 /nfs/dbraw/zinc/52/51/67/949525167.db2.gz INYPPMYDWPEEOH-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001573808703 949525182 /nfs/dbraw/zinc/52/51/82/949525182.db2.gz INYPPMYDWPEEOH-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)n1ncnc1CN1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574471093 949526182 /nfs/dbraw/zinc/52/61/82/949526182.db2.gz JCSYUZVBIHQIDD-UHFFFAOYSA-N -1 3 384.448 0.715 20 0 GCADHM CC(C)n1ncnc1CN1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574471093 949526196 /nfs/dbraw/zinc/52/61/96/949526196.db2.gz JCSYUZVBIHQIDD-UHFFFAOYSA-N -1 3 384.448 0.715 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574471125 949528657 /nfs/dbraw/zinc/52/86/57/949528657.db2.gz ZWIQCJNJRHADJA-LBPRGKRZSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574471125 949528675 /nfs/dbraw/zinc/52/86/75/949528675.db2.gz ZWIQCJNJRHADJA-LBPRGKRZSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCO1 ZINC001573809183 949530789 /nfs/dbraw/zinc/53/07/89/949530789.db2.gz MNDFXHQZYWWNJD-OLZOCXBDSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCO1 ZINC001573809183 949530807 /nfs/dbraw/zinc/53/08/07/949530807.db2.gz MNDFXHQZYWWNJD-OLZOCXBDSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)n1[nH]cnc1=NC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574471287 949532212 /nfs/dbraw/zinc/53/22/12/949532212.db2.gz LJYGGLPVJVSOQA-UHFFFAOYSA-N -1 3 390.429 0.015 20 0 GCADHM CC(C)n1[nH]cnc1=NC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574471287 949532229 /nfs/dbraw/zinc/53/22/29/949532229.db2.gz LJYGGLPVJVSOQA-UHFFFAOYSA-N -1 3 390.429 0.015 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575872071 949534685 /nfs/dbraw/zinc/53/46/85/949534685.db2.gz FSTNTWBVXKWTMF-KWQFWETISA-N -1 3 379.371 0.959 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575872071 949534708 /nfs/dbraw/zinc/53/47/08/949534708.db2.gz FSTNTWBVXKWTMF-KWQFWETISA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872123 949535155 /nfs/dbraw/zinc/53/51/55/949535155.db2.gz GQCMGCOWOWANDF-RISCZKNCSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872123 949535166 /nfs/dbraw/zinc/53/51/66/949535166.db2.gz GQCMGCOWOWANDF-RISCZKNCSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574950248 949535076 /nfs/dbraw/zinc/53/50/76/949535076.db2.gz NARLBPIGOOVTNK-LLVKDONJSA-N -1 3 382.432 0.349 20 0 GCADHM C[C@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574950248 949535102 /nfs/dbraw/zinc/53/51/02/949535102.db2.gz NARLBPIGOOVTNK-LLVKDONJSA-N -1 3 382.432 0.349 20 0 GCADHM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574950250 949535856 /nfs/dbraw/zinc/53/58/56/949535856.db2.gz NARLBPIGOOVTNK-NSHDSACASA-N -1 3 382.432 0.349 20 0 GCADHM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574950250 949535873 /nfs/dbraw/zinc/53/58/73/949535873.db2.gz NARLBPIGOOVTNK-NSHDSACASA-N -1 3 382.432 0.349 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1ccon1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809377 949536550 /nfs/dbraw/zinc/53/65/50/949536550.db2.gz OWLYMRWTOBFSKT-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1ccon1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809377 949536559 /nfs/dbraw/zinc/53/65/59/949536559.db2.gz OWLYMRWTOBFSKT-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2=COCCO2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872154 949537360 /nfs/dbraw/zinc/53/73/60/949537360.db2.gz GYKATSMVYKHVND-JQWIXIFHSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2=COCCO2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872154 949537378 /nfs/dbraw/zinc/53/73/78/949537378.db2.gz GYKATSMVYKHVND-JQWIXIFHSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575269121 949537754 /nfs/dbraw/zinc/53/77/54/949537754.db2.gz RBMAAPHDUJRMMI-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575269121 949537768 /nfs/dbraw/zinc/53/77/68/949537768.db2.gz RBMAAPHDUJRMMI-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573809431 949540346 /nfs/dbraw/zinc/54/03/46/949540346.db2.gz PRUJZVDCEGLHCJ-QOBDMFJFSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573809431 949540359 /nfs/dbraw/zinc/54/03/59/949540359.db2.gz PRUJZVDCEGLHCJ-QOBDMFJFSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809457 949541366 /nfs/dbraw/zinc/54/13/66/949541366.db2.gz PXNGOZPXWPNBBF-IMQJOWEQSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809457 949541385 /nfs/dbraw/zinc/54/13/85/949541385.db2.gz PXNGOZPXWPNBBF-IMQJOWEQSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCC1CC1 ZINC001573809434 949541751 /nfs/dbraw/zinc/54/17/51/949541751.db2.gz PSKZNAGGSCKGRT-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCC1CC1 ZINC001573809434 949541765 /nfs/dbraw/zinc/54/17/65/949541765.db2.gz PSKZNAGGSCKGRT-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809453 949541968 /nfs/dbraw/zinc/54/19/68/949541968.db2.gz PXDLZHTXQNYBLC-WVWOOGAGSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809453 949541988 /nfs/dbraw/zinc/54/19/88/949541988.db2.gz PXDLZHTXQNYBLC-WVWOOGAGSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCCOC1 ZINC001573809451 949542788 /nfs/dbraw/zinc/54/27/88/949542788.db2.gz PWXWHEZBFGGPHS-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCOC1 ZINC001573809451 949542814 /nfs/dbraw/zinc/54/28/14/949542814.db2.gz PWXWHEZBFGGPHS-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1(O)CCC1 ZINC001573809425 949542933 /nfs/dbraw/zinc/54/29/33/949542933.db2.gz POVISXFZAFAFSJ-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1(O)CCC1 ZINC001573809425 949542944 /nfs/dbraw/zinc/54/29/44/949542944.db2.gz POVISXFZAFAFSJ-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576163939 949543201 /nfs/dbraw/zinc/54/32/01/949543201.db2.gz DHYDCKLNCQMOQA-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163939 949543220 /nfs/dbraw/zinc/54/32/20/949543220.db2.gz DHYDCKLNCQMOQA-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cncnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809477 949543730 /nfs/dbraw/zinc/54/37/30/949543730.db2.gz QJHQVAHTCLLHDQ-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cncnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809477 949543743 /nfs/dbraw/zinc/54/37/43/949543743.db2.gz QJHQVAHTCLLHDQ-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576163887 949544555 /nfs/dbraw/zinc/54/45/55/949544555.db2.gz DFTFHKLVVWGIJL-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576163887 949544575 /nfs/dbraw/zinc/54/45/75/949544575.db2.gz DFTFHKLVVWGIJL-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575539411 949546585 /nfs/dbraw/zinc/54/65/85/949546585.db2.gz PUJQNQSNXDMRNB-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575539411 949546599 /nfs/dbraw/zinc/54/65/99/949546599.db2.gz PUJQNQSNXDMRNB-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1=COCCO1 ZINC001573809502 949548563 /nfs/dbraw/zinc/54/85/63/949548563.db2.gz QSMQQAPMUFAFMF-CYBMUJFWSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1=COCCO1 ZINC001573809502 949548584 /nfs/dbraw/zinc/54/85/84/949548584.db2.gz QSMQQAPMUFAFMF-CYBMUJFWSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1CCOCC1 ZINC001573809495 949549160 /nfs/dbraw/zinc/54/91/60/949549160.db2.gz QPTMCMNVHUWZEK-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1CCOCC1 ZINC001573809495 949549175 /nfs/dbraw/zinc/54/91/75/949549175.db2.gz QPTMCMNVHUWZEK-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)CC(=O)NCCN1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001574123289 949550404 /nfs/dbraw/zinc/55/04/04/949550404.db2.gz RJPVJDIIBFHQPR-UHFFFAOYSA-N -1 3 376.440 0.685 20 0 GCADHM CC(C)CC(=O)NCCN1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001574123289 949550428 /nfs/dbraw/zinc/55/04/28/949550428.db2.gz RJPVJDIIBFHQPR-UHFFFAOYSA-N -1 3 376.440 0.685 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809716 949551610 /nfs/dbraw/zinc/55/16/10/949551610.db2.gz UCYHEOQJQWEUAL-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809716 949551642 /nfs/dbraw/zinc/55/16/42/949551642.db2.gz UCYHEOQJQWEUAL-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576164535 949553731 /nfs/dbraw/zinc/55/37/31/949553731.db2.gz GYQFNGPJFKFRRV-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576164535 949553744 /nfs/dbraw/zinc/55/37/44/949553744.db2.gz GYQFNGPJFKFRRV-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncccn1 ZINC001573809981 949555453 /nfs/dbraw/zinc/55/54/53/949555453.db2.gz XDDNGEHQHCRSHR-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncccn1 ZINC001573809981 949555466 /nfs/dbraw/zinc/55/54/66/949555466.db2.gz XDDNGEHQHCRSHR-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCCO1 ZINC001573809867 949556095 /nfs/dbraw/zinc/55/60/95/949556095.db2.gz VJBNOVXMLZDLBE-OLZOCXBDSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCO1 ZINC001573809867 949556115 /nfs/dbraw/zinc/55/61/15/949556115.db2.gz VJBNOVXMLZDLBE-OLZOCXBDSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccncn1 ZINC001573809968 949557417 /nfs/dbraw/zinc/55/74/17/949557417.db2.gz WYUWHNMWDQTTDC-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccncn1 ZINC001573809968 949557436 /nfs/dbraw/zinc/55/74/36/949557436.db2.gz WYUWHNMWDQTTDC-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575269534 949558167 /nfs/dbraw/zinc/55/81/67/949558167.db2.gz VOLSFZIAIRHMFU-NXEZZACHSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575269534 949558180 /nfs/dbraw/zinc/55/81/80/949558180.db2.gz VOLSFZIAIRHMFU-NXEZZACHSA-N -1 3 379.446 0.002 20 0 GCADHM CC1(C(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575539742 949558581 /nfs/dbraw/zinc/55/85/81/949558581.db2.gz SKPVCHZBJMCUKQ-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575539742 949558602 /nfs/dbraw/zinc/55/86/02/949558602.db2.gz SKPVCHZBJMCUKQ-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576164869 949559994 /nfs/dbraw/zinc/55/99/94/949559994.db2.gz HZYNMHCIPNOPOZ-OCCSQVGLSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576164869 949560007 /nfs/dbraw/zinc/56/00/07/949560007.db2.gz HZYNMHCIPNOPOZ-OCCSQVGLSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809991 949562676 /nfs/dbraw/zinc/56/26/76/949562676.db2.gz XEOMRQKMMXHCFA-ZWNOBZJWSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809991 949562690 /nfs/dbraw/zinc/56/26/90/949562690.db2.gz XEOMRQKMMXHCFA-ZWNOBZJWSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574955688 949564956 /nfs/dbraw/zinc/56/49/56/949564956.db2.gz CPRUCWOAPZLHLG-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574955688 949564971 /nfs/dbraw/zinc/56/49/71/949564971.db2.gz CPRUCWOAPZLHLG-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnsn1 ZINC001573810112 949564987 /nfs/dbraw/zinc/56/49/87/949564987.db2.gz ZGAGRGCGEFJGAO-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnsn1 ZINC001573810112 949565001 /nfs/dbraw/zinc/56/50/01/949565001.db2.gz ZGAGRGCGEFJGAO-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnsn1 ZINC001573810113 949565902 /nfs/dbraw/zinc/56/59/02/949565902.db2.gz ZGAGRGCGEFJGAO-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnsn1 ZINC001573810113 949565918 /nfs/dbraw/zinc/56/59/18/949565918.db2.gz ZGAGRGCGEFJGAO-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575540313 949565985 /nfs/dbraw/zinc/56/59/85/949565985.db2.gz WWHAQDJKAZJHST-KZULUSFZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575540313 949566005 /nfs/dbraw/zinc/56/60/05/949566005.db2.gz WWHAQDJKAZJHST-KZULUSFZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574955712 949566149 /nfs/dbraw/zinc/56/61/49/949566149.db2.gz CWPLJAQAVLPXMV-RISCZKNCSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574955712 949566161 /nfs/dbraw/zinc/56/61/61/949566161.db2.gz CWPLJAQAVLPXMV-RISCZKNCSA-N -1 3 384.444 0.579 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001573810075 949567118 /nfs/dbraw/zinc/56/71/18/949567118.db2.gz YMOHXSRRFAPXTI-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001573810075 949567134 /nfs/dbraw/zinc/56/71/34/949567134.db2.gz YMOHXSRRFAPXTI-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001574475442 949567241 /nfs/dbraw/zinc/56/72/41/949567241.db2.gz AHFAJYSPEOJCQS-UONOGXRCSA-N -1 3 384.444 0.946 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001574475442 949567257 /nfs/dbraw/zinc/56/72/57/949567257.db2.gz AHFAJYSPEOJCQS-UONOGXRCSA-N -1 3 384.444 0.946 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810118 949568293 /nfs/dbraw/zinc/56/82/93/949568293.db2.gz ZHXIJNFJLFRIGV-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810118 949568307 /nfs/dbraw/zinc/56/83/07/949568307.db2.gz ZHXIJNFJLFRIGV-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001574475433 949569647 /nfs/dbraw/zinc/56/96/47/949569647.db2.gz AEOOJHZXMKFHAT-OCCSQVGLSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001574475433 949569657 /nfs/dbraw/zinc/56/96/57/949569657.db2.gz AEOOJHZXMKFHAT-OCCSQVGLSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575270027 949569864 /nfs/dbraw/zinc/56/98/64/949569864.db2.gz ACAZNVXLNRYOKM-QWHCGFSZSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575270027 949569874 /nfs/dbraw/zinc/56/98/74/949569874.db2.gz ACAZNVXLNRYOKM-QWHCGFSZSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575540647 949570906 /nfs/dbraw/zinc/57/09/06/949570906.db2.gz YTQVECYWDDHNTC-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575540647 949570922 /nfs/dbraw/zinc/57/09/22/949570922.db2.gz YTQVECYWDDHNTC-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575540645 949573873 /nfs/dbraw/zinc/57/38/73/949573873.db2.gz YTQVECYWDDHNTC-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575540645 949573891 /nfs/dbraw/zinc/57/38/91/949573891.db2.gz YTQVECYWDDHNTC-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC3(CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)CCOC1 ZINC001575540613 949574297 /nfs/dbraw/zinc/57/42/97/949574297.db2.gz YEHRDOPRSRFGJG-KRWDZBQOSA-N -1 3 385.428 0.296 20 0 GCADHM C[C@]1(C(=O)N2CCC3(CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)C2)CCOC1 ZINC001575540613 949574310 /nfs/dbraw/zinc/57/43/10/949574310.db2.gz YEHRDOPRSRFGJG-KRWDZBQOSA-N -1 3 385.428 0.296 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575270184 949575158 /nfs/dbraw/zinc/57/51/58/949575158.db2.gz YJQGKTVNZKBZMK-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575270184 949575177 /nfs/dbraw/zinc/57/51/77/949575177.db2.gz YJQGKTVNZKBZMK-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNCc1csnn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810798 949576259 /nfs/dbraw/zinc/57/62/59/949576259.db2.gz CWVMRYYKBKCNMK-GFCCVEGCSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)(C)[C@@H](CNCc1csnn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810798 949576274 /nfs/dbraw/zinc/57/62/74/949576274.db2.gz CWVMRYYKBKCNMK-GFCCVEGCSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576166423 949576862 /nfs/dbraw/zinc/57/68/62/949576862.db2.gz LODDSFRRQDTNTO-CHWSQXEVSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576166423 949576882 /nfs/dbraw/zinc/57/68/82/949576882.db2.gz LODDSFRRQDTNTO-CHWSQXEVSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576166510 949581637 /nfs/dbraw/zinc/58/16/37/949581637.db2.gz MQINVEMZIMEWDQ-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576166510 949581651 /nfs/dbraw/zinc/58/16/51/949581651.db2.gz MQINVEMZIMEWDQ-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001573810838 949582671 /nfs/dbraw/zinc/58/26/71/949582671.db2.gz DQOTZTDRDWQYDN-WCQYABFASA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001573810838 949582695 /nfs/dbraw/zinc/58/26/95/949582695.db2.gz DQOTZTDRDWQYDN-WCQYABFASA-N -1 3 386.460 0.731 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ncccc3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575544227 949583283 /nfs/dbraw/zinc/58/32/83/949583283.db2.gz BSHJVXGNKWDNAX-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ncccc3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575544227 949583298 /nfs/dbraw/zinc/58/32/98/949583298.db2.gz BSHJVXGNKWDNAX-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001574125469 949585901 /nfs/dbraw/zinc/58/59/01/949585901.db2.gz PWJYYFUCURMTPD-GXTWGEPZSA-N -1 3 386.460 0.812 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001574125469 949585921 /nfs/dbraw/zinc/58/59/21/949585921.db2.gz PWJYYFUCURMTPD-GXTWGEPZSA-N -1 3 386.460 0.812 20 0 GCADHM CC1(C(=O)N2CCCO[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC1 ZINC001575544505 949588955 /nfs/dbraw/zinc/58/89/55/949588955.db2.gz DQYDSVWAEYWCNY-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCCO[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC1 ZINC001575544505 949588965 /nfs/dbraw/zinc/58/89/65/949588965.db2.gz DQYDSVWAEYWCNY-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712745 949588929 /nfs/dbraw/zinc/58/89/29/949588929.db2.gz UCIJIAGQIQQGPD-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccncc1 ZINC001574476118 949588946 /nfs/dbraw/zinc/58/89/46/949588946.db2.gz AHYPOTMILVUYID-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccncc1 ZINC001574476118 949588956 /nfs/dbraw/zinc/58/89/56/949588956.db2.gz AHYPOTMILVUYID-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712911 949589925 /nfs/dbraw/zinc/58/99/25/949589925.db2.gz VEXKIKVHSGATLT-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001574125508 949591061 /nfs/dbraw/zinc/59/10/61/949591061.db2.gz RDGCIMNYNPHURL-UONOGXRCSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001574125508 949591076 /nfs/dbraw/zinc/59/10/76/949591076.db2.gz RDGCIMNYNPHURL-UONOGXRCSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001574125509 949592928 /nfs/dbraw/zinc/59/29/28/949592928.db2.gz RDGCIMNYNPHURL-ZIAGYGMSSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001574125509 949592944 /nfs/dbraw/zinc/59/29/44/949592944.db2.gz RDGCIMNYNPHURL-ZIAGYGMSSA-N -1 3 386.460 0.716 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574476279 949593616 /nfs/dbraw/zinc/59/36/16/949593616.db2.gz FUUIBCPWFRZRKP-NXEZZACHSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574476279 949593623 /nfs/dbraw/zinc/59/36/23/949593623.db2.gz FUUIBCPWFRZRKP-NXEZZACHSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574956818 949594424 /nfs/dbraw/zinc/59/44/24/949594424.db2.gz NURUKZRLCHBAMY-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574956818 949594442 /nfs/dbraw/zinc/59/44/42/949594442.db2.gz NURUKZRLCHBAMY-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCN(C)C1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574713134 949594855 /nfs/dbraw/zinc/59/48/55/949594855.db2.gz VZLUIIMWGKUMPC-KOLCDFICSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCN(C)C1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574713134 949594872 /nfs/dbraw/zinc/59/48/72/949594872.db2.gz VZLUIIMWGKUMPC-KOLCDFICSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574713280 949598670 /nfs/dbraw/zinc/59/86/70/949598670.db2.gz WYHXMCUCKHBMOY-OCCSQVGLSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574713280 949598689 /nfs/dbraw/zinc/59/86/89/949598689.db2.gz WYHXMCUCKHBMOY-OCCSQVGLSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CCNC(=O)C1 ZINC001575545577 949600046 /nfs/dbraw/zinc/60/00/46/949600046.db2.gz LUCWEKLEULLQHV-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCNC(=O)C1 ZINC001575545577 949600059 /nfs/dbraw/zinc/60/00/59/949600059.db2.gz LUCWEKLEULLQHV-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575545486 949600824 /nfs/dbraw/zinc/60/08/24/949600824.db2.gz LAGJDHRLHRMBGY-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575545486 949600846 /nfs/dbraw/zinc/60/08/46/949600846.db2.gz LAGJDHRLHRMBGY-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](C)(CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574476521 949607582 /nfs/dbraw/zinc/60/75/82/949607582.db2.gz DNLNTRHEBSHDNA-PIGZYNQJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](C)(CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574476521 949607594 /nfs/dbraw/zinc/60/75/94/949607594.db2.gz DNLNTRHEBSHDNA-PIGZYNQJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574957361 949608440 /nfs/dbraw/zinc/60/84/40/949608440.db2.gz WDARKCWJHXWVDZ-GWCFXTLKSA-N -1 3 390.423 0.713 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574957361 949608452 /nfs/dbraw/zinc/60/84/52/949608452.db2.gz WDARKCWJHXWVDZ-GWCFXTLKSA-N -1 3 390.423 0.713 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575874303 949609188 /nfs/dbraw/zinc/60/91/88/949609188.db2.gz FUBPHWGWMOXNPV-SMDDNHRTSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874303 949609201 /nfs/dbraw/zinc/60/92/01/949609201.db2.gz FUBPHWGWMOXNPV-SMDDNHRTSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575874270 949609896 /nfs/dbraw/zinc/60/98/96/949609896.db2.gz FNIPIPMWASZONG-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575874270 949609913 /nfs/dbraw/zinc/60/99/13/949609913.db2.gz FNIPIPMWASZONG-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574476644 949610429 /nfs/dbraw/zinc/61/04/29/949610429.db2.gz IXEALPYEZMRBON-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574476644 949610444 /nfs/dbraw/zinc/61/04/44/949610444.db2.gz IXEALPYEZMRBON-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ncccc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575546101 949610577 /nfs/dbraw/zinc/61/05/77/949610577.db2.gz OTCFXENRBRJDCT-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ncccc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575546101 949610593 /nfs/dbraw/zinc/61/05/93/949610593.db2.gz OTCFXENRBRJDCT-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574476612 949611416 /nfs/dbraw/zinc/61/14/16/949611416.db2.gz FCPBEXHDJPOEGM-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574476612 949611429 /nfs/dbraw/zinc/61/14/29/949611429.db2.gz FCPBEXHDJPOEGM-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167881 949616353 /nfs/dbraw/zinc/61/63/53/949616353.db2.gz AAJRNSGLYHYUEZ-FZMZJTMJSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874776 949617170 /nfs/dbraw/zinc/61/71/70/949617170.db2.gz GWMZRKDHWXOUCB-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874776 949617188 /nfs/dbraw/zinc/61/71/88/949617188.db2.gz GWMZRKDHWXOUCB-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM CC(C)(C)[C@@H](CNCc1cnsn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573812463 949617926 /nfs/dbraw/zinc/61/79/26/949617926.db2.gz RWEIFYOSDYDSOX-GFCCVEGCSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)(C)[C@@H](CNCc1cnsn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573812463 949617949 /nfs/dbraw/zinc/61/79/49/949617949.db2.gz RWEIFYOSDYDSOX-GFCCVEGCSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574128062 949618883 /nfs/dbraw/zinc/61/88/83/949618883.db2.gz KSWYDFZYTJZQQH-GFCCVEGCSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574128062 949618891 /nfs/dbraw/zinc/61/88/91/949618891.db2.gz KSWYDFZYTJZQQH-GFCCVEGCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574476788 949621668 /nfs/dbraw/zinc/62/16/68/949621668.db2.gz KCQVORNPCBBECZ-SMDDNHRTSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574476788 949621682 /nfs/dbraw/zinc/62/16/82/949621682.db2.gz KCQVORNPCBBECZ-SMDDNHRTSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874820 949623432 /nfs/dbraw/zinc/62/34/32/949623432.db2.gz HEENJWXGFVUPEE-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874820 949623446 /nfs/dbraw/zinc/62/34/46/949623446.db2.gz HEENJWXGFVUPEE-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001574476865 949623346 /nfs/dbraw/zinc/62/33/46/949623346.db2.gz IGFVBLVGBWDHPE-CYBMUJFWSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001574476865 949623357 /nfs/dbraw/zinc/62/33/57/949623357.db2.gz IGFVBLVGBWDHPE-CYBMUJFWSA-N -1 3 385.432 0.342 20 0 GCADHM CC1(C(=O)N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CC(F)(F)C1 ZINC001575547593 949631071 /nfs/dbraw/zinc/63/10/71/949631071.db2.gz BPANWRVRSZMLOV-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC1(C(=O)N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CC(F)(F)C1 ZINC001575547593 949631083 /nfs/dbraw/zinc/63/10/83/949631083.db2.gz BPANWRVRSZMLOV-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574476978 949631056 /nfs/dbraw/zinc/63/10/56/949631056.db2.gz MOXFYGOTINDWFB-NSHDSACASA-N -1 3 389.464 0.605 20 0 GCADHM C[C@@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574476978 949631069 /nfs/dbraw/zinc/63/10/69/949631069.db2.gz MOXFYGOTINDWFB-NSHDSACASA-N -1 3 389.464 0.605 20 0 GCADHM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574957760 949631527 /nfs/dbraw/zinc/63/15/27/949631527.db2.gz HQGBMAWFVNCBBM-RBIVETJNSA-N -1 3 377.836 0.893 20 0 GCADHM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574957760 949631543 /nfs/dbraw/zinc/63/15/43/949631543.db2.gz HQGBMAWFVNCBBM-RBIVETJNSA-N -1 3 377.836 0.893 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574714844 949635828 /nfs/dbraw/zinc/63/58/28/949635828.db2.gz GTJCRPVBIGRAPX-ZYHUDNBSSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574714844 949635847 /nfs/dbraw/zinc/63/58/47/949635847.db2.gz GTJCRPVBIGRAPX-ZYHUDNBSSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576168376 949637483 /nfs/dbraw/zinc/63/74/83/949637483.db2.gz GRLDXLVZFOUKKD-AAEUAGOBSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576168376 949637495 /nfs/dbraw/zinc/63/74/95/949637495.db2.gz GRLDXLVZFOUKKD-AAEUAGOBSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576168444 949637641 /nfs/dbraw/zinc/63/76/41/949637641.db2.gz UNTQMTCSDIENEP-DOMZBBRYSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576168444 949637651 /nfs/dbraw/zinc/63/76/51/949637651.db2.gz UNTQMTCSDIENEP-DOMZBBRYSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574477102 949639657 /nfs/dbraw/zinc/63/96/57/949639657.db2.gz OQTYUWBRYNUTJD-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574477102 949639664 /nfs/dbraw/zinc/63/96/64/949639664.db2.gz OQTYUWBRYNUTJD-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N1CCC(C)(Nc2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574477211 949644071 /nfs/dbraw/zinc/64/40/71/949644071.db2.gz LZLHPEDZVDSDDS-LLVKDONJSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CC(=O)N1CCC(C)(Nc2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574477211 949644077 /nfs/dbraw/zinc/64/40/77/949644077.db2.gz LZLHPEDZVDSDDS-LLVKDONJSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876623 949646457 /nfs/dbraw/zinc/64/64/57/949646457.db2.gz JZRWMNWWGLZAKB-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876623 949646476 /nfs/dbraw/zinc/64/64/76/949646476.db2.gz JZRWMNWWGLZAKB-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001574131178 949647236 /nfs/dbraw/zinc/64/72/36/949647236.db2.gz AJANDKXAKNWDSO-ZIAGYGMSSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001574131178 949647255 /nfs/dbraw/zinc/64/72/55/949647255.db2.gz AJANDKXAKNWDSO-ZIAGYGMSSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876308 949647519 /nfs/dbraw/zinc/64/75/19/949647519.db2.gz JTLIBGKXIKQXBS-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876308 949647536 /nfs/dbraw/zinc/64/75/36/949647536.db2.gz JTLIBGKXIKQXBS-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574477227 949647870 /nfs/dbraw/zinc/64/78/70/949647870.db2.gz MBSQUDWUQKUUHF-PIGZYNQJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574477227 949647890 /nfs/dbraw/zinc/64/78/90/949647890.db2.gz MBSQUDWUQKUUHF-PIGZYNQJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958114 949650999 /nfs/dbraw/zinc/65/09/99/949650999.db2.gz GSLNMCGRWCNMJY-QJPTWQEYSA-N -1 3 382.432 0.358 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958114 949651014 /nfs/dbraw/zinc/65/10/14/949651014.db2.gz GSLNMCGRWCNMJY-QJPTWQEYSA-N -1 3 382.432 0.358 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1)NC(N)=O ZINC001574477349 949651259 /nfs/dbraw/zinc/65/12/59/949651259.db2.gz NFZLJJCODFGSGK-CMPLNLGQSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1)NC(N)=O ZINC001574477349 949651272 /nfs/dbraw/zinc/65/12/72/949651272.db2.gz NFZLJJCODFGSGK-CMPLNLGQSA-N -1 3 387.448 0.358 20 0 GCADHM CC1(C(=O)N2CCN([C@@H]3CCN(c4cnc(-c5nnn[n-]5)cn4)C3)CC2)CC1 ZINC001575547972 949652358 /nfs/dbraw/zinc/65/23/58/949652358.db2.gz OSOZIDYAWHLJAN-CYBMUJFWSA-N -1 3 383.460 0.180 20 0 GCADHM CC1(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575547990 949653188 /nfs/dbraw/zinc/65/31/88/949653188.db2.gz OYABHNPHUJPKJV-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575547990 949653199 /nfs/dbraw/zinc/65/31/99/949653199.db2.gz OYABHNPHUJPKJV-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876832 949654088 /nfs/dbraw/zinc/65/40/88/949654088.db2.gz KUOKMOMRMOSRLC-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876832 949654098 /nfs/dbraw/zinc/65/40/98/949654098.db2.gz KUOKMOMRMOSRLC-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574958183 949654438 /nfs/dbraw/zinc/65/44/38/949654438.db2.gz NEUZOYZVQFKJAF-GOONRYMUSA-N -1 3 377.836 0.972 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574958183 949654449 /nfs/dbraw/zinc/65/44/49/949654449.db2.gz NEUZOYZVQFKJAF-GOONRYMUSA-N -1 3 377.836 0.972 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876822 949654758 /nfs/dbraw/zinc/65/47/58/949654758.db2.gz KUOKMOMRMOSRLC-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876822 949654780 /nfs/dbraw/zinc/65/47/80/949654780.db2.gz KUOKMOMRMOSRLC-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574958209 949656616 /nfs/dbraw/zinc/65/66/16/949656616.db2.gz OCSCOSPINYFDKP-AOLWHUPESA-N -1 3 387.444 0.254 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574958209 949656634 /nfs/dbraw/zinc/65/66/34/949656634.db2.gz OCSCOSPINYFDKP-AOLWHUPESA-N -1 3 387.444 0.254 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575877198 949657522 /nfs/dbraw/zinc/65/75/22/949657522.db2.gz LAIPVSFGMUSVBE-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575877198 949657539 /nfs/dbraw/zinc/65/75/39/949657539.db2.gz LAIPVSFGMUSVBE-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574131384 949658239 /nfs/dbraw/zinc/65/82/39/949658239.db2.gz DNXXXEKEGJLUCA-CHWSQXEVSA-N -1 3 391.476 0.768 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574131384 949658249 /nfs/dbraw/zinc/65/82/49/949658249.db2.gz DNXXXEKEGJLUCA-CHWSQXEVSA-N -1 3 391.476 0.768 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573815608 949658219 /nfs/dbraw/zinc/65/82/19/949658219.db2.gz JFWYXVJZMWHUBB-CHWSQXEVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573815608 949658229 /nfs/dbraw/zinc/65/82/29/949658229.db2.gz JFWYXVJZMWHUBB-CHWSQXEVSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574477424 949658252 /nfs/dbraw/zinc/65/82/52/949658252.db2.gz QXZRKZCLTXWAGL-OCCSQVGLSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574477424 949658255 /nfs/dbraw/zinc/65/82/55/949658255.db2.gz QXZRKZCLTXWAGL-OCCSQVGLSA-N -1 3 385.432 0.341 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574131610 949662410 /nfs/dbraw/zinc/66/24/10/949662410.db2.gz HYTFIHBHPIDJEM-TZMCWYRMSA-N -1 3 391.476 0.768 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574131610 949662420 /nfs/dbraw/zinc/66/24/20/949662420.db2.gz HYTFIHBHPIDJEM-TZMCWYRMSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575273564 949663739 /nfs/dbraw/zinc/66/37/39/949663739.db2.gz WLOIBFFZBPAMGJ-SNVBAGLBSA-N -1 3 390.423 0.001 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574958328 949663880 /nfs/dbraw/zinc/66/38/80/949663880.db2.gz IYIXRGGCNOJEIK-IACUBPJLSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574958328 949663900 /nfs/dbraw/zinc/66/39/00/949663900.db2.gz IYIXRGGCNOJEIK-IACUBPJLSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574958331 949664083 /nfs/dbraw/zinc/66/40/83/949664083.db2.gz PEKGZULBYODWRV-BKTMZONDSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574958331 949664100 /nfs/dbraw/zinc/66/41/00/949664100.db2.gz PEKGZULBYODWRV-BKTMZONDSA-N -1 3 385.428 0.102 20 0 GCADHM CC1(C(=O)N2CCN(CCNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCC1 ZINC001575548235 949666758 /nfs/dbraw/zinc/66/67/58/949666758.db2.gz VOIZHGWILYKBDA-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM CC1(C(=O)N2CCN(CCNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCC1 ZINC001575548235 949666770 /nfs/dbraw/zinc/66/67/70/949666770.db2.gz VOIZHGWILYKBDA-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001574477585 949667376 /nfs/dbraw/zinc/66/73/76/949667376.db2.gz SJIFYFONHCWRHG-WFASDCNBSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001574477585 949667390 /nfs/dbraw/zinc/66/73/90/949667390.db2.gz SJIFYFONHCWRHG-WFASDCNBSA-N -1 3 389.460 0.930 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1c[nH]cn1 ZINC001573815932 949667766 /nfs/dbraw/zinc/66/77/66/949667766.db2.gz LZXYIIPTFUGRAC-CYBMUJFWSA-N -1 3 384.448 0.955 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575877693 949668164 /nfs/dbraw/zinc/66/81/64/949668164.db2.gz MJISNKMEPPDLLK-TZMCWYRMSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575877693 949668177 /nfs/dbraw/zinc/66/81/77/949668177.db2.gz MJISNKMEPPDLLK-TZMCWYRMSA-N -1 3 384.444 0.358 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574131856 949669133 /nfs/dbraw/zinc/66/91/33/949669133.db2.gz MWXBBWNAMRIYKU-ZLKJLUDKSA-N -1 3 375.433 0.179 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574131856 949669147 /nfs/dbraw/zinc/66/91/47/949669147.db2.gz MWXBBWNAMRIYKU-ZLKJLUDKSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@]1(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575548346 949669588 /nfs/dbraw/zinc/66/95/88/949669588.db2.gz XLKSEHWXOKHPBR-RDTXWAMCSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@]1(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575548346 949669602 /nfs/dbraw/zinc/66/96/02/949669602.db2.gz XLKSEHWXOKHPBR-RDTXWAMCSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574477670 949670815 /nfs/dbraw/zinc/67/08/15/949670815.db2.gz UEKDQOWOTZZAEF-NSHDSACASA-N -1 3 392.439 0.343 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574132042 949673263 /nfs/dbraw/zinc/67/32/63/949673263.db2.gz PJUMDAMZRTYPAT-OCCSQVGLSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574132042 949673271 /nfs/dbraw/zinc/67/32/71/949673271.db2.gz PJUMDAMZRTYPAT-OCCSQVGLSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878166 949674603 /nfs/dbraw/zinc/67/46/03/949674603.db2.gz NOSJBOCCPKILSS-OLZOCXBDSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878166 949674616 /nfs/dbraw/zinc/67/46/16/949674616.db2.gz NOSJBOCCPKILSS-OLZOCXBDSA-N -1 3 382.428 0.806 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574132029 949674842 /nfs/dbraw/zinc/67/48/42/949674842.db2.gz OYJFDJAEGVNKHK-XIKOKIGWSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574132029 949674854 /nfs/dbraw/zinc/67/48/54/949674854.db2.gz OYJFDJAEGVNKHK-XIKOKIGWSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575274135 949677405 /nfs/dbraw/zinc/67/74/05/949677405.db2.gz ZCSOATAKYNYTGY-MNOVXSKESA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575274135 949677412 /nfs/dbraw/zinc/67/74/12/949677412.db2.gz ZCSOATAKYNYTGY-MNOVXSKESA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575274123 949679310 /nfs/dbraw/zinc/67/93/10/949679310.db2.gz YVTVNBUYKKFVHK-WDEREUQCSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575274123 949679342 /nfs/dbraw/zinc/67/93/42/949679342.db2.gz YVTVNBUYKKFVHK-WDEREUQCSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574477803 949679885 /nfs/dbraw/zinc/67/98/85/949679885.db2.gz SACNYZSTCOXCBY-NHYWBVRUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574477803 949679899 /nfs/dbraw/zinc/67/98/99/949679899.db2.gz SACNYZSTCOXCBY-NHYWBVRUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574477886 949685575 /nfs/dbraw/zinc/68/55/75/949685575.db2.gz SQJCEGHBMDTWGG-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574477886 949685589 /nfs/dbraw/zinc/68/55/89/949685589.db2.gz SQJCEGHBMDTWGG-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574477949 949687476 /nfs/dbraw/zinc/68/74/76/949687476.db2.gz WMJFLPNTDSHDRN-YPMHNXCESA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574477949 949687499 /nfs/dbraw/zinc/68/74/99/949687499.db2.gz WMJFLPNTDSHDRN-YPMHNXCESA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575879687 949690111 /nfs/dbraw/zinc/69/01/11/949690111.db2.gz REQNTPPUMRELCG-RISCZKNCSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575879687 949690123 /nfs/dbraw/zinc/69/01/23/949690123.db2.gz REQNTPPUMRELCG-RISCZKNCSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]3C2)CCOC1 ZINC001575553744 949691674 /nfs/dbraw/zinc/69/16/74/949691674.db2.gz PHUJPQQAQUFAHH-FHSNZYRGSA-N -1 3 385.428 0.152 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]3C2)CCOC1 ZINC001575553744 949691689 /nfs/dbraw/zinc/69/16/89/949691689.db2.gz PHUJPQQAQUFAHH-FHSNZYRGSA-N -1 3 385.428 0.152 20 0 GCADHM CC(C)CC(C)(C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574132359 949693080 /nfs/dbraw/zinc/69/30/80/949693080.db2.gz XYCYEFDSVDDXRY-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)CC(C)(C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574132359 949693092 /nfs/dbraw/zinc/69/30/92/949693092.db2.gz XYCYEFDSVDDXRY-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001574478079 949694818 /nfs/dbraw/zinc/69/48/18/949694818.db2.gz UXOKFFXBVXWIKR-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001574478079 949694836 /nfs/dbraw/zinc/69/48/36/949694836.db2.gz UXOKFFXBVXWIKR-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574958944 949695073 /nfs/dbraw/zinc/69/50/73/949695073.db2.gz OKAKVHAUFCNMNA-TUKIKUTGSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574958944 949695094 /nfs/dbraw/zinc/69/50/94/949695094.db2.gz OKAKVHAUFCNMNA-TUKIKUTGSA-N -1 3 381.444 0.740 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574132426 949696752 /nfs/dbraw/zinc/69/67/52/949696752.db2.gz ZNGDOMYTMRNRQQ-HONMWMINSA-N -1 3 375.433 0.179 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574132426 949696761 /nfs/dbraw/zinc/69/67/61/949696761.db2.gz ZNGDOMYTMRNRQQ-HONMWMINSA-N -1 3 375.433 0.179 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573817189 949697521 /nfs/dbraw/zinc/69/75/21/949697521.db2.gz YPKXWRNQTLVRPQ-BXUZGUMPSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573817189 949697535 /nfs/dbraw/zinc/69/75/35/949697535.db2.gz YPKXWRNQTLVRPQ-BXUZGUMPSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)Cn1ncnn1 ZINC001573817270 949699586 /nfs/dbraw/zinc/69/95/86/949699586.db2.gz ZBBHAYYPDCONRX-LBPRGKRZSA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)(C)[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)Cn1ncnn1 ZINC001573817270 949699604 /nfs/dbraw/zinc/69/96/04/949699604.db2.gz ZBBHAYYPDCONRX-LBPRGKRZSA-N -1 3 388.411 0.635 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574478158 949700201 /nfs/dbraw/zinc/70/02/01/949700201.db2.gz XZSGISHWEINJDQ-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574478158 949700216 /nfs/dbraw/zinc/70/02/16/949700216.db2.gz XZSGISHWEINJDQ-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001574478347 949703664 /nfs/dbraw/zinc/70/36/64/949703664.db2.gz WSLXGEQUEJUWKK-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001574478347 949703677 /nfs/dbraw/zinc/70/36/77/949703677.db2.gz WSLXGEQUEJUWKK-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880607 949705787 /nfs/dbraw/zinc/70/57/87/949705787.db2.gz UYAJSAQWDWVNHG-ZYHUDNBSSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880607 949705802 /nfs/dbraw/zinc/70/58/02/949705802.db2.gz UYAJSAQWDWVNHG-ZYHUDNBSSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H](CN(C)C(=O)CCC1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716784 949708534 /nfs/dbraw/zinc/70/85/34/949708534.db2.gz LXOAAWFTWUFCLU-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)CCC1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716784 949708552 /nfs/dbraw/zinc/70/85/52/949708552.db2.gz LXOAAWFTWUFCLU-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574478561 949712053 /nfs/dbraw/zinc/71/20/53/949712053.db2.gz YZUDOEOXUSJHEY-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574478561 949712079 /nfs/dbraw/zinc/71/20/79/949712079.db2.gz YZUDOEOXUSJHEY-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN(C)C2CCC2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575881274 949712326 /nfs/dbraw/zinc/71/23/26/949712326.db2.gz XAMBGHSCNXUBMM-OCCSQVGLSA-N -1 3 385.476 0.615 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880965 949712763 /nfs/dbraw/zinc/71/27/63/949712763.db2.gz WIFZBNQFUSWQGD-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880965 949712785 /nfs/dbraw/zinc/71/27/85/949712785.db2.gz WIFZBNQFUSWQGD-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNc2ncccc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575557301 949715661 /nfs/dbraw/zinc/71/56/61/949715661.db2.gz GQBZKRDWYJVQKC-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNc2ncccc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575557301 949715684 /nfs/dbraw/zinc/71/56/84/949715684.db2.gz GQBZKRDWYJVQKC-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCc1cnn(C)c1 ZINC001575276203 949716780 /nfs/dbraw/zinc/71/67/80/949716780.db2.gz HVHAUWZDGOVNHD-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCc1cnn(C)c1 ZINC001575276203 949716790 /nfs/dbraw/zinc/71/67/90/949716790.db2.gz HVHAUWZDGOVNHD-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576170361 949717854 /nfs/dbraw/zinc/71/78/54/949717854.db2.gz KQBFKYIHWKOFAV-OCCSQVGLSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576170361 949717867 /nfs/dbraw/zinc/71/78/67/949717867.db2.gz KQBFKYIHWKOFAV-OCCSQVGLSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574959845 949718334 /nfs/dbraw/zinc/71/83/34/949718334.db2.gz VESNYZTVESMFKY-BYCMXARLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574959845 949718351 /nfs/dbraw/zinc/71/83/51/949718351.db2.gz VESNYZTVESMFKY-BYCMXARLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170487 949718659 /nfs/dbraw/zinc/71/86/59/949718659.db2.gz LGPQUIUDQCCEBI-IUODEOHRSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170487 949718681 /nfs/dbraw/zinc/71/86/81/949718681.db2.gz LGPQUIUDQCCEBI-IUODEOHRSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ncccc1-c1nnn[n-]1 ZINC001574717005 949718730 /nfs/dbraw/zinc/71/87/30/949718730.db2.gz NPKUKTPPPFGSGD-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ncccc1-c1nn[n-]n1 ZINC001574717005 949718751 /nfs/dbraw/zinc/71/87/51/949718751.db2.gz NPKUKTPPPFGSGD-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](NC(=O)CCc1ccoc1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575276479 949718766 /nfs/dbraw/zinc/71/87/66/949718766.db2.gz JPSCNEOYKHYSCZ-LLVKDONJSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](NC(=O)CCc1ccoc1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575276479 949718781 /nfs/dbraw/zinc/71/87/81/949718781.db2.gz JPSCNEOYKHYSCZ-LLVKDONJSA-N -1 3 383.412 0.997 20 0 GCADHM CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1ccnc1 ZINC001573818134 949718862 /nfs/dbraw/zinc/71/88/62/949718862.db2.gz GZOBYHHAEFIMHE-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1ccnc1 ZINC001573818134 949718877 /nfs/dbraw/zinc/71/88/77/949718877.db2.gz GZOBYHHAEFIMHE-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCC[C@H](C)C1 ZINC001576170454 949719843 /nfs/dbraw/zinc/71/98/43/949719843.db2.gz KTSJKKUAAVYOKK-QWHCGFSZSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)N1CCC[C@H](C)C1 ZINC001576170454 949719868 /nfs/dbraw/zinc/71/98/68/949719868.db2.gz KTSJKKUAAVYOKK-QWHCGFSZSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575881546 949723385 /nfs/dbraw/zinc/72/33/85/949723385.db2.gz YXIZXIUIHXYVKC-TZMCWYRMSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575881546 949723405 /nfs/dbraw/zinc/72/34/05/949723405.db2.gz YXIZXIUIHXYVKC-TZMCWYRMSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCC[C@H](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576170527 949723675 /nfs/dbraw/zinc/72/36/75/949723675.db2.gz LZGHMFWRCWLAPR-STQMWFEESA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCC[C@H](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576170527 949723690 /nfs/dbraw/zinc/72/36/90/949723690.db2.gz LZGHMFWRCWLAPR-STQMWFEESA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574960231 949726422 /nfs/dbraw/zinc/72/64/22/949726422.db2.gz VTACOTDTVPZRLM-IACUBPJLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574960231 949726433 /nfs/dbraw/zinc/72/64/33/949726433.db2.gz VTACOTDTVPZRLM-IACUBPJLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)c1cnon1 ZINC001576170645 949727250 /nfs/dbraw/zinc/72/72/50/949727250.db2.gz MHOXCDYUMWFFMS-RNCFNFMXSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1cnon1 ZINC001576170645 949727261 /nfs/dbraw/zinc/72/72/61/949727261.db2.gz MHOXCDYUMWFFMS-RNCFNFMXSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1cnon1 ZINC001576170644 949729850 /nfs/dbraw/zinc/72/98/50/949729850.db2.gz MHOXCDYUMWFFMS-NOZJJQNGSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1cnon1 ZINC001576170644 949729875 /nfs/dbraw/zinc/72/98/75/949729875.db2.gz MHOXCDYUMWFFMS-NOZJJQNGSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574479085 949730855 /nfs/dbraw/zinc/73/08/55/949730855.db2.gz CRQWEQISXHFRDU-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCOC1 ZINC001575558488 949735128 /nfs/dbraw/zinc/73/51/28/949735128.db2.gz QBPGCBBEWIFZEP-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCOC1 ZINC001575558488 949735143 /nfs/dbraw/zinc/73/51/43/949735143.db2.gz QBPGCBBEWIFZEP-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](NC(=O)CCc1cnccn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276901 949736030 /nfs/dbraw/zinc/73/60/30/949736030.db2.gz MUBVWMQXCSMCSF-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1cnccn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276901 949736046 /nfs/dbraw/zinc/73/60/46/949736046.db2.gz MUBVWMQXCSMCSF-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnc1 ZINC001575881849 949736782 /nfs/dbraw/zinc/73/67/82/949736782.db2.gz CDRNHCAMSXOAAR-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001574135799 949736847 /nfs/dbraw/zinc/73/68/47/949736847.db2.gz MXLFTJQGVBQCGT-DFBGVHRSSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001574135799 949736860 /nfs/dbraw/zinc/73/68/60/949736860.db2.gz MXLFTJQGVBQCGT-DFBGVHRSSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575276881 949737209 /nfs/dbraw/zinc/73/72/09/949737209.db2.gz MJDJLLWLDFSAJC-SNVBAGLBSA-N -1 3 383.416 0.127 20 0 GCADHM C[C@@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575276881 949737235 /nfs/dbraw/zinc/73/72/35/949737235.db2.gz MJDJLLWLDFSAJC-SNVBAGLBSA-N -1 3 383.416 0.127 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574479389 949740051 /nfs/dbraw/zinc/74/00/51/949740051.db2.gz DYAURFUIPBJZEQ-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574479389 949740068 /nfs/dbraw/zinc/74/00/68/949740068.db2.gz DYAURFUIPBJZEQ-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCc1cncs1 ZINC001575277070 949742125 /nfs/dbraw/zinc/74/21/25/949742125.db2.gz NHDFUNFRSDAJFU-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCc1cncs1 ZINC001575277070 949742147 /nfs/dbraw/zinc/74/21/47/949742147.db2.gz NHDFUNFRSDAJFU-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](NC(=O)CCc1cncn1C)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277234 949746286 /nfs/dbraw/zinc/74/62/86/949746286.db2.gz PDCVSNAKBYVUGK-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1cncn1C)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277234 949746303 /nfs/dbraw/zinc/74/63/03/949746303.db2.gz PDCVSNAKBYVUGK-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574717841 949746422 /nfs/dbraw/zinc/74/64/22/949746422.db2.gz QSLHDNXSNWFFQK-MNOVXSKESA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574717841 949746442 /nfs/dbraw/zinc/74/64/42/949746442.db2.gz QSLHDNXSNWFFQK-MNOVXSKESA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnn(C)c1 ZINC001575882054 949746680 /nfs/dbraw/zinc/74/66/80/949746680.db2.gz FVFFLURLIOHALI-MFKMUULPSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnn(C)c1 ZINC001575882054 949746696 /nfs/dbraw/zinc/74/66/96/949746696.db2.gz FVFFLURLIOHALI-MFKMUULPSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574480415 949747313 /nfs/dbraw/zinc/74/73/13/949747313.db2.gz IGXYEFKZYZYCFZ-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574480415 949747323 /nfs/dbraw/zinc/74/73/23/949747323.db2.gz IGXYEFKZYZYCFZ-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574480191 949749000 /nfs/dbraw/zinc/74/90/00/949749000.db2.gz HJVPYWZDDQIAGW-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574480191 949749019 /nfs/dbraw/zinc/74/90/19/949749019.db2.gz HJVPYWZDDQIAGW-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575882099 949751884 /nfs/dbraw/zinc/75/18/84/949751884.db2.gz GDIUXVTUDDVNDL-ZWNOBZJWSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575882099 949751903 /nfs/dbraw/zinc/75/19/03/949751903.db2.gz GDIUXVTUDDVNDL-ZWNOBZJWSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574480515 949754017 /nfs/dbraw/zinc/75/40/17/949754017.db2.gz JKROPVCBMBCJSU-YPMHNXCESA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574480515 949754034 /nfs/dbraw/zinc/75/40/34/949754034.db2.gz JKROPVCBMBCJSU-YPMHNXCESA-N -1 3 387.448 0.136 20 0 GCADHM CC1(C(=O)N[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCOCC1 ZINC001575559277 949754032 /nfs/dbraw/zinc/75/40/32/949754032.db2.gz WFITUQRLZZHWII-CQSZACIVSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCOCC1 ZINC001575559277 949754048 /nfs/dbraw/zinc/75/40/48/949754048.db2.gz WFITUQRLZZHWII-CQSZACIVSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575882096 949754033 /nfs/dbraw/zinc/75/40/33/949754033.db2.gz GDIUXVTUDDVNDL-GWCFXTLKSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575882096 949754049 /nfs/dbraw/zinc/75/40/49/949754049.db2.gz GDIUXVTUDDVNDL-GWCFXTLKSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@@H](NC(=O)CCc1ccccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277830 949755325 /nfs/dbraw/zinc/75/53/25/949755325.db2.gz RRCOYVHOCLQXTI-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1ccccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277830 949755339 /nfs/dbraw/zinc/75/53/39/949755339.db2.gz RRCOYVHOCLQXTI-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCc1nccs1 ZINC001575277635 949755849 /nfs/dbraw/zinc/75/58/49/949755849.db2.gz RLQPIHUSJXBSSF-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCc1nccs1 ZINC001575277635 949755861 /nfs/dbraw/zinc/75/58/61/949755861.db2.gz RLQPIHUSJXBSSF-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H]1CCCN(C(=O)CN(C)CCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576171238 949755988 /nfs/dbraw/zinc/75/59/88/949755988.db2.gz PPSHQNHLYSPMQO-ZDUSSCGKSA-N -1 3 388.476 0.457 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574480880 949758776 /nfs/dbraw/zinc/75/87/76/949758776.db2.gz KWMIEDUBHNUFDL-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1cscn1 ZINC001575277973 949759016 /nfs/dbraw/zinc/75/90/16/949759016.db2.gz UCBDBKKJHMWYRF-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1cscn1 ZINC001575277973 949759034 /nfs/dbraw/zinc/75/90/34/949759034.db2.gz UCBDBKKJHMWYRF-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@@H]3C2)CCOC1 ZINC001575559656 949762602 /nfs/dbraw/zinc/76/26/02/949762602.db2.gz XMKBQGFXCHEYBM-FTLABTOESA-N -1 3 385.428 0.152 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@@H]3C2)CCOC1 ZINC001575559656 949762615 /nfs/dbraw/zinc/76/26/15/949762615.db2.gz XMKBQGFXCHEYBM-FTLABTOESA-N -1 3 385.428 0.152 20 0 GCADHM C[C@H](NC(=O)CCc1cccnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575278191 949763314 /nfs/dbraw/zinc/76/33/14/949763314.db2.gz UFVXOUVEIAXEFS-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](NC(=O)CCc1cccnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575278191 949763330 /nfs/dbraw/zinc/76/33/30/949763330.db2.gz UFVXOUVEIAXEFS-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)CCOC1 ZINC001575559658 949764586 /nfs/dbraw/zinc/76/45/86/949764586.db2.gz XPINKMACLKLAQZ-BVSJBKOGSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)CCOC1 ZINC001575559658 949764606 /nfs/dbraw/zinc/76/46/06/949764606.db2.gz XPINKMACLKLAQZ-BVSJBKOGSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574964052 949765599 /nfs/dbraw/zinc/76/55/99/949765599.db2.gz OYZWGMBQENFZMF-LDYMZIIASA-N -1 3 378.824 0.500 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574964052 949765610 /nfs/dbraw/zinc/76/56/10/949765610.db2.gz OYZWGMBQENFZMF-LDYMZIIASA-N -1 3 378.824 0.500 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001576171459 949766166 /nfs/dbraw/zinc/76/61/66/949766166.db2.gz QQBAANULJWSWBS-ZDUSSCGKSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001576171459 949766190 /nfs/dbraw/zinc/76/61/90/949766190.db2.gz QQBAANULJWSWBS-ZDUSSCGKSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1ncccn1 ZINC001575278780 949768933 /nfs/dbraw/zinc/76/89/33/949768933.db2.gz VLMXMACLZUQIMI-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1ncccn1 ZINC001575278780 949768949 /nfs/dbraw/zinc/76/89/49/949768949.db2.gz VLMXMACLZUQIMI-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575882325 949769539 /nfs/dbraw/zinc/76/95/39/949769539.db2.gz IUMZXKLLNCEEMH-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCNC1=O ZINC001573821314 949769570 /nfs/dbraw/zinc/76/95/70/949769570.db2.gz AAKRFJGOQJWSIQ-STQMWFEESA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCNC1=O ZINC001573821314 949769609 /nfs/dbraw/zinc/76/96/09/949769609.db2.gz AAKRFJGOQJWSIQ-STQMWFEESA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575882325 949769562 /nfs/dbraw/zinc/76/95/62/949769562.db2.gz IUMZXKLLNCEEMH-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCc1ccnn1C ZINC001575279200 949772200 /nfs/dbraw/zinc/77/22/00/949772200.db2.gz WZHIGULHLBQMMX-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCc1ccnn1C ZINC001575279200 949772212 /nfs/dbraw/zinc/77/22/12/949772212.db2.gz WZHIGULHLBQMMX-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCOC1 ZINC001575559956 949773606 /nfs/dbraw/zinc/77/36/06/949773606.db2.gz ZTVMTLONFFYUKJ-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCOC1 ZINC001575559956 949773621 /nfs/dbraw/zinc/77/36/21/949773621.db2.gz ZTVMTLONFFYUKJ-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnsn1 ZINC001575882397 949774924 /nfs/dbraw/zinc/77/49/24/949774924.db2.gz KCDCAMCFGYMMCE-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnsn1 ZINC001575882397 949774940 /nfs/dbraw/zinc/77/49/40/949774940.db2.gz KCDCAMCFGYMMCE-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1ncnn1 ZINC001573821428 949775021 /nfs/dbraw/zinc/77/50/21/949775021.db2.gz BXCICTKBOCVWCM-LLVKDONJSA-N -1 3 389.399 0.030 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1ncnn1 ZINC001573821428 949775038 /nfs/dbraw/zinc/77/50/38/949775038.db2.gz BXCICTKBOCVWCM-LLVKDONJSA-N -1 3 389.399 0.030 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574964399 949775175 /nfs/dbraw/zinc/77/51/75/949775175.db2.gz VMJRKARBOAWALR-MXWKQRLJSA-N -1 3 390.423 0.243 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574964399 949775197 /nfs/dbraw/zinc/77/51/97/949775197.db2.gz VMJRKARBOAWALR-MXWKQRLJSA-N -1 3 390.423 0.243 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccnnc1 ZINC001575882468 949775663 /nfs/dbraw/zinc/77/56/63/949775663.db2.gz LJGCLAOYAHVVSC-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccnnc1 ZINC001575882468 949775672 /nfs/dbraw/zinc/77/56/72/949775672.db2.gz LJGCLAOYAHVVSC-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)C[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574138059 949776267 /nfs/dbraw/zinc/77/62/67/949776267.db2.gz ZQIRLLWMKWNHNU-AAEUAGOBSA-N -1 3 377.449 0.426 20 0 GCADHM CC(C)C[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574138059 949776284 /nfs/dbraw/zinc/77/62/84/949776284.db2.gz ZQIRLLWMKWNHNU-AAEUAGOBSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481456 949777388 /nfs/dbraw/zinc/77/73/88/949777388.db2.gz QFKIMYPFAVPXGJ-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481456 949777405 /nfs/dbraw/zinc/77/74/05/949777405.db2.gz QFKIMYPFAVPXGJ-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccnnc1 ZINC001575882470 949777417 /nfs/dbraw/zinc/77/74/17/949777417.db2.gz LJGCLAOYAHVVSC-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccnnc1 ZINC001575882470 949777438 /nfs/dbraw/zinc/77/74/38/949777438.db2.gz LJGCLAOYAHVVSC-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574137914 949779441 /nfs/dbraw/zinc/77/94/41/949779441.db2.gz YUXSYXHEUVJURN-YPMHNXCESA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574137914 949779449 /nfs/dbraw/zinc/77/94/49/949779449.db2.gz YUXSYXHEUVJURN-YPMHNXCESA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574481556 949786836 /nfs/dbraw/zinc/78/68/36/949786836.db2.gz RNLUDSRRUXKQFU-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574481556 949786852 /nfs/dbraw/zinc/78/68/52/949786852.db2.gz RNLUDSRRUXKQFU-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](NC(=O)CCc1ccn(C)n1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575279754 949788992 /nfs/dbraw/zinc/78/89/92/949788992.db2.gz ZJWKGCINONOPNO-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1ccn(C)n1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575279754 949789001 /nfs/dbraw/zinc/78/90/01/949789001.db2.gz ZJWKGCINONOPNO-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718582 949789910 /nfs/dbraw/zinc/78/99/10/949789910.db2.gz ZQPWYPAWSSNFNV-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718582 949789926 /nfs/dbraw/zinc/78/99/26/949789926.db2.gz ZQPWYPAWSSNFNV-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574481552 949789992 /nfs/dbraw/zinc/78/99/92/949789992.db2.gz RNIUSWUJSZYPOC-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574481552 949790007 /nfs/dbraw/zinc/79/00/07/949790007.db2.gz RNIUSWUJSZYPOC-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)C1CCOCC1 ZINC001575882822 949793285 /nfs/dbraw/zinc/79/32/85/949793285.db2.gz OIOJFVNZVLSRKD-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)C1CCOCC1 ZINC001575882822 949793303 /nfs/dbraw/zinc/79/33/03/949793303.db2.gz OIOJFVNZVLSRKD-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccncn1 ZINC001575882810 949793505 /nfs/dbraw/zinc/79/35/05/949793505.db2.gz OAZRXDFHNIBUGS-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccncn1 ZINC001575882810 949793514 /nfs/dbraw/zinc/79/35/14/949793514.db2.gz OAZRXDFHNIBUGS-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172137 949796002 /nfs/dbraw/zinc/79/60/02/949796002.db2.gz VOOLMGJHXQGHOU-DGCLKSJQSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574720607 949799869 /nfs/dbraw/zinc/79/98/69/949799869.db2.gz DTINJFDHPYBKCG-QMMMGPOBSA-N -1 3 381.828 0.232 20 0 GCADHM C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574720607 949799885 /nfs/dbraw/zinc/79/98/85/949799885.db2.gz DTINJFDHPYBKCG-QMMMGPOBSA-N -1 3 381.828 0.232 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281419 949807061 /nfs/dbraw/zinc/80/70/61/949807061.db2.gz FZDJNUVGXNECSP-NWDGAFQWSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281419 949807076 /nfs/dbraw/zinc/80/70/76/949807076.db2.gz FZDJNUVGXNECSP-NWDGAFQWSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cccn1C ZINC001575883213 949807942 /nfs/dbraw/zinc/80/79/42/949807942.db2.gz PXYDOCIOWQCLFP-WCQYABFASA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cccn1C ZINC001575883213 949807967 /nfs/dbraw/zinc/80/79/67/949807967.db2.gz PXYDOCIOWQCLFP-WCQYABFASA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576172573 949809449 /nfs/dbraw/zinc/80/94/49/949809449.db2.gz XMZVWZULUVAFGR-JSGCOSHPSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576172573 949809475 /nfs/dbraw/zinc/80/94/75/949809475.db2.gz XMZVWZULUVAFGR-JSGCOSHPSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481951 949812715 /nfs/dbraw/zinc/81/27/15/949812715.db2.gz XXJKTEIDJJXLSY-WDEREUQCSA-N -1 3 390.423 0.713 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481951 949812743 /nfs/dbraw/zinc/81/27/43/949812743.db2.gz XXJKTEIDJJXLSY-WDEREUQCSA-N -1 3 390.423 0.713 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574965754 949813183 /nfs/dbraw/zinc/81/31/83/949813183.db2.gz LHRSBAFEENOBOS-BIMULSAOSA-N -1 3 375.408 0.064 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574965754 949813230 /nfs/dbraw/zinc/81/32/30/949813230.db2.gz LHRSBAFEENOBOS-BIMULSAOSA-N -1 3 375.408 0.064 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccn(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721436 949814529 /nfs/dbraw/zinc/81/45/29/949814529.db2.gz LJTDRXRNSKUFLH-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccn(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721436 949814546 /nfs/dbraw/zinc/81/45/46/949814546.db2.gz LJTDRXRNSKUFLH-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573823314 949823044 /nfs/dbraw/zinc/82/30/44/949823044.db2.gz USOLBHIJWKPXQC-JQWIXIFHSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573823314 949823055 /nfs/dbraw/zinc/82/30/55/949823055.db2.gz USOLBHIJWKPXQC-JQWIXIFHSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573823300 949827097 /nfs/dbraw/zinc/82/70/97/949827097.db2.gz UKXRJTVZRINROZ-XIKOKIGWSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573823300 949827125 /nfs/dbraw/zinc/82/71/25/949827125.db2.gz UKXRJTVZRINROZ-XIKOKIGWSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cccnc1 ZINC001575883807 949828959 /nfs/dbraw/zinc/82/89/59/949828959.db2.gz HGHJABGROYESLP-BXUZGUMPSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cccnc1 ZINC001575883807 949828973 /nfs/dbraw/zinc/82/89/73/949828973.db2.gz HGHJABGROYESLP-BXUZGUMPSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575282356 949832712 /nfs/dbraw/zinc/83/27/12/949832712.db2.gz KLTFLCWPXZGLBF-JTQLQIEISA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575282356 949832733 /nfs/dbraw/zinc/83/27/33/949832733.db2.gz KLTFLCWPXZGLBF-JTQLQIEISA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575282432 949834382 /nfs/dbraw/zinc/83/43/82/949834382.db2.gz BMWXYPFZMVBFQF-GHMZBOCLSA-N -1 3 390.423 0.726 20 0 GCADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575282432 949834400 /nfs/dbraw/zinc/83/44/00/949834400.db2.gz BMWXYPFZMVBFQF-GHMZBOCLSA-N -1 3 390.423 0.726 20 0 GCADHM CC1(C(=O)NC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOCC1 ZINC001575562729 949834698 /nfs/dbraw/zinc/83/46/98/949834698.db2.gz ICVFAHYMGZHENV-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOCC1 ZINC001575562729 949834719 /nfs/dbraw/zinc/83/47/19/949834719.db2.gz ICVFAHYMGZHENV-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575883944 949834755 /nfs/dbraw/zinc/83/47/55/949834755.db2.gz TWGJCKBNTWOHRW-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575883944 949834778 /nfs/dbraw/zinc/83/47/78/949834778.db2.gz TWGJCKBNTWOHRW-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CCCC1=O ZINC001573823807 949836298 /nfs/dbraw/zinc/83/62/98/949836298.db2.gz ZAVDGWCSTHWKLB-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CCCC1=O ZINC001573823807 949836319 /nfs/dbraw/zinc/83/63/19/949836319.db2.gz ZAVDGWCSTHWKLB-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ncccn1 ZINC001575883940 949837808 /nfs/dbraw/zinc/83/78/08/949837808.db2.gz SXCMNTIWYBBONL-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ncccn1 ZINC001575883940 949837836 /nfs/dbraw/zinc/83/78/36/949837836.db2.gz SXCMNTIWYBBONL-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575282611 949842267 /nfs/dbraw/zinc/84/22/67/949842267.db2.gz LIUSGMGRONFZNH-VXGBXAGGSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575282611 949842286 /nfs/dbraw/zinc/84/22/86/949842286.db2.gz LIUSGMGRONFZNH-VXGBXAGGSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCNC1=O ZINC001575563619 949843013 /nfs/dbraw/zinc/84/30/13/949843013.db2.gz LHQWBLJEYPDLPQ-FZKQIMNGSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCNC1=O ZINC001575563619 949843027 /nfs/dbraw/zinc/84/30/27/949843027.db2.gz LHQWBLJEYPDLPQ-FZKQIMNGSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573823851 949843567 /nfs/dbraw/zinc/84/35/67/949843567.db2.gz ZQTOUQBJERJIAK-AWEZNQCLSA-N -1 3 386.460 0.598 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573824086 949844475 /nfs/dbraw/zinc/84/44/75/949844475.db2.gz CIFPJXGYZKBPDQ-YPMHNXCESA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573824086 949844500 /nfs/dbraw/zinc/84/45/00/949844500.db2.gz CIFPJXGYZKBPDQ-YPMHNXCESA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573824065 949844669 /nfs/dbraw/zinc/84/46/69/949844669.db2.gz CIFPJXGYZKBPDQ-DGCLKSJQSA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573824065 949844693 /nfs/dbraw/zinc/84/46/93/949844693.db2.gz CIFPJXGYZKBPDQ-DGCLKSJQSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574483865 949844866 /nfs/dbraw/zinc/84/48/66/949844866.db2.gz NWXJGMNUZUXLNM-SWLSCSKDSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574483865 949844883 /nfs/dbraw/zinc/84/48/83/949844883.db2.gz NWXJGMNUZUXLNM-SWLSCSKDSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574141269 949845530 /nfs/dbraw/zinc/84/55/30/949845530.db2.gz SHQROLPUALSIIZ-JSGCOSHPSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574141269 949845546 /nfs/dbraw/zinc/84/55/46/949845546.db2.gz SHQROLPUALSIIZ-JSGCOSHPSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575563862 949846008 /nfs/dbraw/zinc/84/60/08/949846008.db2.gz MPLREJCVGNLXDO-UGSOOPFHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575563862 949846025 /nfs/dbraw/zinc/84/60/25/949846025.db2.gz MPLREJCVGNLXDO-UGSOOPFHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001574966703 949853408 /nfs/dbraw/zinc/85/34/08/949853408.db2.gz BJDKLMWZNYLYIO-SFHVURJKSA-N -1 3 382.428 0.780 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573824585 949853323 /nfs/dbraw/zinc/85/33/23/949853323.db2.gz HNXBWPGIEWHQSJ-JFGNBEQYSA-N -1 3 387.448 0.404 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573824585 949853345 /nfs/dbraw/zinc/85/33/45/949853345.db2.gz HNXBWPGIEWHQSJ-JFGNBEQYSA-N -1 3 387.448 0.404 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001574966703 949853431 /nfs/dbraw/zinc/85/34/31/949853431.db2.gz BJDKLMWZNYLYIO-SFHVURJKSA-N -1 3 382.428 0.780 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573824953 949855409 /nfs/dbraw/zinc/85/54/09/949855409.db2.gz JBLNBKLKQUOVAY-GXFFZTMASA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573824953 949855419 /nfs/dbraw/zinc/85/54/19/949855419.db2.gz JBLNBKLKQUOVAY-GXFFZTMASA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573824977 949858534 /nfs/dbraw/zinc/85/85/34/949858534.db2.gz JRDRQOYATMPOLY-YPMHNXCESA-N -1 3 387.437 0.442 20 0 GCADHM CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573824977 949858563 /nfs/dbraw/zinc/85/85/63/949858563.db2.gz JRDRQOYATMPOLY-YPMHNXCESA-N -1 3 387.437 0.442 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)C1 ZINC001573824934 949859439 /nfs/dbraw/zinc/85/94/39/949859439.db2.gz HYZXPCFJVSVAOL-NEXFUWMNSA-N -1 3 385.472 1.000 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)C1 ZINC001573824934 949859465 /nfs/dbraw/zinc/85/94/65/949859465.db2.gz HYZXPCFJVSVAOL-NEXFUWMNSA-N -1 3 385.472 1.000 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)COC1CCOCC1 ZINC001575283147 949860403 /nfs/dbraw/zinc/86/04/03/949860403.db2.gz NUZZSJGNRVQABN-WDEREUQCSA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)COC1CCOCC1 ZINC001575283147 949860428 /nfs/dbraw/zinc/86/04/28/949860428.db2.gz NUZZSJGNRVQABN-WDEREUQCSA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C1CCOCC1)C1CC1 ZINC001574966996 949863212 /nfs/dbraw/zinc/86/32/12/949863212.db2.gz DGYDVRLEZUTZOC-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C1CCOCC1)C1CC1 ZINC001574966996 949863229 /nfs/dbraw/zinc/86/32/29/949863229.db2.gz DGYDVRLEZUTZOC-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)N1CCC(C)CC1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576177865 949863881 /nfs/dbraw/zinc/86/38/81/949863881.db2.gz CMSAYSAXSKQELJ-GFCCVEGCSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](C(=O)N1CCC(C)CC1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576177865 949863906 /nfs/dbraw/zinc/86/39/06/949863906.db2.gz CMSAYSAXSKQELJ-GFCCVEGCSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574724248 949864482 /nfs/dbraw/zinc/86/44/82/949864482.db2.gz FNJKYBJFQRWFJW-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574724248 949864499 /nfs/dbraw/zinc/86/44/99/949864499.db2.gz FNJKYBJFQRWFJW-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)C(=O)N1CCC(C)CC1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001576177872 949864795 /nfs/dbraw/zinc/86/47/95/949864795.db2.gz CRXUREMYQBPIBC-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](CNC(=O)C(=O)N1CCC(C)CC1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001576177872 949864815 /nfs/dbraw/zinc/86/48/15/949864815.db2.gz CRXUREMYQBPIBC-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574484163 949865052 /nfs/dbraw/zinc/86/50/52/949865052.db2.gz DHBDPXCUOVAKRF-QWHCGFSZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574484163 949865077 /nfs/dbraw/zinc/86/50/77/949865077.db2.gz DHBDPXCUOVAKRF-QWHCGFSZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575564585 949865598 /nfs/dbraw/zinc/86/55/98/949865598.db2.gz QNKAXHKXGJRLLQ-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575564585 949865608 /nfs/dbraw/zinc/86/56/08/949865608.db2.gz QNKAXHKXGJRLLQ-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](NC(=O)CNC(=O)C1CC1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575283370 949865507 /nfs/dbraw/zinc/86/55/07/949865507.db2.gz FUZVFLFAQWVJFI-IUCAKERBSA-N -1 3 392.851 0.746 20 0 GCADHM C[C@H](NC(=O)CNC(=O)C1CC1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575283370 949865530 /nfs/dbraw/zinc/86/55/30/949865530.db2.gz FUZVFLFAQWVJFI-IUCAKERBSA-N -1 3 392.851 0.746 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccncn1)C1CC1 ZINC001574967275 949866806 /nfs/dbraw/zinc/86/68/06/949866806.db2.gz GIKWOVRROYMYFK-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccncn1)C1CC1 ZINC001574967275 949866831 /nfs/dbraw/zinc/86/68/31/949866831.db2.gz GIKWOVRROYMYFK-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575564678 949868005 /nfs/dbraw/zinc/86/80/05/949868005.db2.gz RQXZWBGQFIQLRA-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575564678 949868029 /nfs/dbraw/zinc/86/80/29/949868029.db2.gz RQXZWBGQFIQLRA-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575885737 949868597 /nfs/dbraw/zinc/86/85/97/949868597.db2.gz KZPUVGBJBWVSEE-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575885737 949868615 /nfs/dbraw/zinc/86/86/15/949868615.db2.gz KZPUVGBJBWVSEE-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576177961 949871660 /nfs/dbraw/zinc/87/16/60/949871660.db2.gz AENJELLPSVXJKX-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576177961 949871685 /nfs/dbraw/zinc/87/16/85/949871685.db2.gz AENJELLPSVXJKX-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574484436 949874950 /nfs/dbraw/zinc/87/49/50/949874950.db2.gz GJWCNFOJMWHIBT-STQMWFEESA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574484436 949874971 /nfs/dbraw/zinc/87/49/71/949874971.db2.gz GJWCNFOJMWHIBT-STQMWFEESA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cn(C)nn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574724699 949875911 /nfs/dbraw/zinc/87/59/11/949875911.db2.gz JMFXBNNGGIFKQN-SNVBAGLBSA-N -1 3 388.411 0.421 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cn(C)nn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574724699 949875930 /nfs/dbraw/zinc/87/59/30/949875930.db2.gz JMFXBNNGGIFKQN-SNVBAGLBSA-N -1 3 388.411 0.421 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NC/C=C\CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573825498 949882621 /nfs/dbraw/zinc/88/26/21/949882621.db2.gz XYXIHGMIAOXTPF-DSYXLKISSA-N -1 3 387.448 0.429 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NC/C=C\CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573825498 949882639 /nfs/dbraw/zinc/88/26/39/949882639.db2.gz XYXIHGMIAOXTPF-DSYXLKISSA-N -1 3 387.448 0.429 20 0 GCADHM C[C@@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575283687 949883547 /nfs/dbraw/zinc/88/35/47/949883547.db2.gz GSEWZGURYDLEPL-BDAKNGLRSA-N -1 3 391.827 0.297 20 0 GCADHM C[C@@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575283687 949883571 /nfs/dbraw/zinc/88/35/71/949883571.db2.gz GSEWZGURYDLEPL-BDAKNGLRSA-N -1 3 391.827 0.297 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573825538 949885916 /nfs/dbraw/zinc/88/59/16/949885916.db2.gz ZTTNGXXJKOVFIX-UONOGXRCSA-N -1 3 387.444 0.850 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573825538 949885940 /nfs/dbraw/zinc/88/59/40/949885940.db2.gz ZTTNGXXJKOVFIX-UONOGXRCSA-N -1 3 387.444 0.850 20 0 GCADHM C[C@@H](CC(=O)N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574484556 949886727 /nfs/dbraw/zinc/88/67/27/949886727.db2.gz JWHQSMWTFFAGRN-NSHDSACASA-N -1 3 390.423 0.491 20 0 GCADHM C[C@@H](CC(=O)N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574484556 949886746 /nfs/dbraw/zinc/88/67/46/949886746.db2.gz JWHQSMWTFFAGRN-NSHDSACASA-N -1 3 390.423 0.491 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575886594 949889127 /nfs/dbraw/zinc/88/91/27/949889127.db2.gz MZXQOPPVBIBAPI-CMPLNLGQSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575886594 949889146 /nfs/dbraw/zinc/88/91/46/949889146.db2.gz MZXQOPPVBIBAPI-CMPLNLGQSA-N -1 3 387.400 0.192 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574143345 949889765 /nfs/dbraw/zinc/88/97/65/949889765.db2.gz GRGUKMHLVNAWCK-SGTLLEGYSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574143345 949889786 /nfs/dbraw/zinc/88/97/86/949889786.db2.gz GRGUKMHLVNAWCK-SGTLLEGYSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576178561 949892912 /nfs/dbraw/zinc/89/29/12/949892912.db2.gz CEEAVPPTPLRPDA-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576178561 949892921 /nfs/dbraw/zinc/89/29/21/949892921.db2.gz CEEAVPPTPLRPDA-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)CCOCC1 ZINC001575568878 949898181 /nfs/dbraw/zinc/89/81/81/949898181.db2.gz CECFIPGBDUDXEM-KBPBESRZSA-N -1 3 387.444 0.134 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)CCOCC1 ZINC001575568878 949898196 /nfs/dbraw/zinc/89/81/96/949898196.db2.gz CECFIPGBDUDXEM-KBPBESRZSA-N -1 3 387.444 0.134 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001574968533 949898461 /nfs/dbraw/zinc/89/84/61/949898461.db2.gz POOMNUJWXSXEPP-UGSOOPFHSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C[C@@H]1CCCO1)C1CC1 ZINC001574968533 949898481 /nfs/dbraw/zinc/89/84/81/949898481.db2.gz POOMNUJWXSXEPP-UGSOOPFHSA-N -1 3 387.444 0.779 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)CCOCC1 ZINC001575568881 949899443 /nfs/dbraw/zinc/89/94/43/949899443.db2.gz CECFIPGBDUDXEM-ZIAGYGMSSA-N -1 3 387.444 0.134 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)CCOCC1 ZINC001575568881 949899464 /nfs/dbraw/zinc/89/94/64/949899464.db2.gz CECFIPGBDUDXEM-ZIAGYGMSSA-N -1 3 387.444 0.134 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575887236 949899710 /nfs/dbraw/zinc/89/97/10/949899710.db2.gz OAYPDBILJAATSM-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575887236 949899737 /nfs/dbraw/zinc/89/97/37/949899737.db2.gz OAYPDBILJAATSM-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576178849 949900875 /nfs/dbraw/zinc/90/08/75/949900875.db2.gz JDOHFPQCNROWHO-PWSUYJOCSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576178849 949900892 /nfs/dbraw/zinc/90/08/92/949900892.db2.gz JDOHFPQCNROWHO-PWSUYJOCSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H](NC(=O)CN1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001575284511 949907237 /nfs/dbraw/zinc/90/72/37/949907237.db2.gz JAOOCRRRJUINAT-LLVKDONJSA-N -1 3 386.460 0.304 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575569092 949907625 /nfs/dbraw/zinc/90/76/25/949907625.db2.gz FYEDXGRMQDWBQW-UGSOOPFHSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575569092 949907643 /nfs/dbraw/zinc/90/76/43/949907643.db2.gz FYEDXGRMQDWBQW-UGSOOPFHSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576179058 949908485 /nfs/dbraw/zinc/90/84/85/949908485.db2.gz JVKIDRRMQRGJEA-GWCFXTLKSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576179058 949908503 /nfs/dbraw/zinc/90/85/03/949908503.db2.gz JVKIDRRMQRGJEA-GWCFXTLKSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484877 949908704 /nfs/dbraw/zinc/90/87/04/949908704.db2.gz QNERKLVMBFNCFK-AAEUAGOBSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484877 949908722 /nfs/dbraw/zinc/90/87/22/949908722.db2.gz QNERKLVMBFNCFK-AAEUAGOBSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1cnoc1 ZINC001575887757 949909128 /nfs/dbraw/zinc/90/91/28/949909128.db2.gz ZZWPDSYALRDBBV-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1cnoc1 ZINC001575887757 949909147 /nfs/dbraw/zinc/90/91/47/949909147.db2.gz ZZWPDSYALRDBBV-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H](CN(C)C(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574725888 949912511 /nfs/dbraw/zinc/91/25/11/949912511.db2.gz VNFAVZJCGLPSLF-SNVBAGLBSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@H](CN(C)C(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574725888 949912522 /nfs/dbraw/zinc/91/25/22/949912522.db2.gz VNFAVZJCGLPSLF-SNVBAGLBSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCC(=O)NC1 ZINC001575569159 949913297 /nfs/dbraw/zinc/91/32/97/949913297.db2.gz HBMORRNRKLAGKD-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCC(=O)NC1 ZINC001575569159 949913313 /nfs/dbraw/zinc/91/33/13/949913313.db2.gz HBMORRNRKLAGKD-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574144607 949916999 /nfs/dbraw/zinc/91/69/99/949916999.db2.gz PZJNYFSXNKECTJ-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574144607 949917013 /nfs/dbraw/zinc/91/70/13/949917013.db2.gz PZJNYFSXNKECTJ-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](OCC1CC1)C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574968929 949917854 /nfs/dbraw/zinc/91/78/54/949917854.db2.gz WDPXDUXGVFDMAK-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](OCC1CC1)C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968929 949917870 /nfs/dbraw/zinc/91/78/70/949917870.db2.gz WDPXDUXGVFDMAK-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574485252 949918983 /nfs/dbraw/zinc/91/89/83/949918983.db2.gz VUSUDZJKAHJHEJ-WDEREUQCSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H](C)OCC1CC1 ZINC001574968930 949918676 /nfs/dbraw/zinc/91/86/76/949918676.db2.gz WDPXDUXGVFDMAK-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H](C)OCC1CC1 ZINC001574968930 949918700 /nfs/dbraw/zinc/91/87/00/949918700.db2.gz WDPXDUXGVFDMAK-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574485252 949919001 /nfs/dbraw/zinc/91/90/01/949919001.db2.gz VUSUDZJKAHJHEJ-WDEREUQCSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575284874 949922733 /nfs/dbraw/zinc/92/27/33/949922733.db2.gz KORCYBANLLQCEQ-NWDGAFQWSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575284874 949922754 /nfs/dbraw/zinc/92/27/54/949922754.db2.gz KORCYBANLLQCEQ-NWDGAFQWSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3cc(F)ccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575569644 949925676 /nfs/dbraw/zinc/92/56/76/949925676.db2.gz MAVTVWNVJOKXEE-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575569644 949925691 /nfs/dbraw/zinc/92/56/91/949925691.db2.gz MAVTVWNVJOKXEE-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)COCc1ccnn1C ZINC001575284965 949928277 /nfs/dbraw/zinc/92/82/77/949928277.db2.gz XHSLBTBCMRBXOK-NEPJUHHUSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)COCc1ccnn1C ZINC001575284965 949928298 /nfs/dbraw/zinc/92/82/98/949928298.db2.gz XHSLBTBCMRBXOK-NEPJUHHUSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cnn2c1CCC2 ZINC001574969056 949929270 /nfs/dbraw/zinc/92/92/70/949929270.db2.gz YRFYMCHPINFTEI-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cnn2c1CCC2 ZINC001574969056 949929290 /nfs/dbraw/zinc/92/92/90/949929290.db2.gz YRFYMCHPINFTEI-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574726229 949929744 /nfs/dbraw/zinc/92/97/44/949929744.db2.gz HBADQNFWSZQVEA-SNVBAGLBSA-N -1 3 392.439 0.822 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)C(C)(C)C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574726229 949929772 /nfs/dbraw/zinc/92/97/72/949929772.db2.gz HBADQNFWSZQVEA-SNVBAGLBSA-N -1 3 392.439 0.822 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C1(C)CCOCC1 ZINC001574972103 949929711 /nfs/dbraw/zinc/92/97/11/949929711.db2.gz AEQSCLGQQKVPRN-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C1(C)CCOCC1 ZINC001574972103 949929724 /nfs/dbraw/zinc/92/97/24/949929724.db2.gz AEQSCLGQQKVPRN-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1)NC(N)=O ZINC001574488029 949934625 /nfs/dbraw/zinc/93/46/25/949934625.db2.gz CELVDOKEQPWWLG-PELKAZGASA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1)NC(N)=O ZINC001574488029 949934638 /nfs/dbraw/zinc/93/46/38/949934638.db2.gz CELVDOKEQPWWLG-PELKAZGASA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001574487738 949934832 /nfs/dbraw/zinc/93/48/32/949934832.db2.gz BMIWEJYIOWMHJO-ZYHUDNBSSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001574487738 949934860 /nfs/dbraw/zinc/93/48/60/949934860.db2.gz BMIWEJYIOWMHJO-ZYHUDNBSSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574726553 949939207 /nfs/dbraw/zinc/93/92/07/949939207.db2.gz KALWSQBCNAWODT-LBPRGKRZSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574726553 949939223 /nfs/dbraw/zinc/93/92/23/949939223.db2.gz KALWSQBCNAWODT-LBPRGKRZSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ncccc1-c1nnn[n-]1 ZINC001574726545 949940615 /nfs/dbraw/zinc/94/06/15/949940615.db2.gz JXSFYJDCQMXOLA-STQMWFEESA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ncccc1-c1nn[n-]n1 ZINC001574726545 949940632 /nfs/dbraw/zinc/94/06/32/949940632.db2.gz JXSFYJDCQMXOLA-STQMWFEESA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CCC(=O)NC1 ZINC001575570582 949940414 /nfs/dbraw/zinc/94/04/14/949940414.db2.gz SJWDOAYFOAVHGF-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCC(=O)NC1 ZINC001575570582 949940432 /nfs/dbraw/zinc/94/04/32/949940432.db2.gz SJWDOAYFOAVHGF-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574488104 949940609 /nfs/dbraw/zinc/94/06/09/949940609.db2.gz DKGWIPAURORJHA-QGHHPUGFSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@H](CC(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574488104 949940626 /nfs/dbraw/zinc/94/06/26/949940626.db2.gz DKGWIPAURORJHA-QGHHPUGFSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCNC(=O)C1 ZINC001575570265 949940922 /nfs/dbraw/zinc/94/09/22/949940922.db2.gz RBLWTACEBMCPJY-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCNC(=O)C1 ZINC001575570265 949940942 /nfs/dbraw/zinc/94/09/42/949940942.db2.gz RBLWTACEBMCPJY-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001574972908 949944278 /nfs/dbraw/zinc/94/42/78/949944278.db2.gz DKKKWNUJOMWVML-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001574972908 949944302 /nfs/dbraw/zinc/94/43/02/949944302.db2.gz DKKKWNUJOMWVML-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180201 949945326 /nfs/dbraw/zinc/94/53/26/949945326.db2.gz NLYADKYROBHTBU-PWSUYJOCSA-N -1 3 383.420 0.518 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1)NC(N)=O ZINC001574488434 949946134 /nfs/dbraw/zinc/94/61/34/949946134.db2.gz GCQYVNSDTGGSCU-NTZNESFSSA-N -1 3 387.448 0.215 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1)NC(N)=O ZINC001574488434 949946152 /nfs/dbraw/zinc/94/61/52/949946152.db2.gz GCQYVNSDTGGSCU-NTZNESFSSA-N -1 3 387.448 0.215 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575285485 949946320 /nfs/dbraw/zinc/94/63/20/949946320.db2.gz NSXWSWQPYMQHHO-QWHCGFSZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575285485 949946342 /nfs/dbraw/zinc/94/63/42/949946342.db2.gz NSXWSWQPYMQHHO-QWHCGFSZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180199 949946218 /nfs/dbraw/zinc/94/62/18/949946218.db2.gz NLYADKYROBHTBU-JQWIXIFHSA-N -1 3 383.420 0.518 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574146516 949947241 /nfs/dbraw/zinc/94/72/41/949947241.db2.gz ZBJJLYOXMICVCN-GXTWGEPZSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574146516 949947252 /nfs/dbraw/zinc/94/72/52/949947252.db2.gz ZBJJLYOXMICVCN-GXTWGEPZSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1cscn1 ZINC001574972957 949947344 /nfs/dbraw/zinc/94/73/44/949947344.db2.gz FESYCCVPBXLYRW-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cscn1 ZINC001574972957 949947354 /nfs/dbraw/zinc/94/73/54/949947354.db2.gz FESYCCVPBXLYRW-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1)NC(N)=O ZINC001574488433 949947586 /nfs/dbraw/zinc/94/75/86/949947586.db2.gz GCQYVNSDTGGSCU-NQBHXWOUSA-N -1 3 387.448 0.215 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1)NC(N)=O ZINC001574488433 949947601 /nfs/dbraw/zinc/94/76/01/949947601.db2.gz GCQYVNSDTGGSCU-NQBHXWOUSA-N -1 3 387.448 0.215 20 0 GCADHM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575285486 949948933 /nfs/dbraw/zinc/94/89/33/949948933.db2.gz NSXWSWQPYMQHHO-STQMWFEESA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575285486 949948951 /nfs/dbraw/zinc/94/89/51/949948951.db2.gz NSXWSWQPYMQHHO-STQMWFEESA-N -1 3 386.460 0.969 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575570902 949950048 /nfs/dbraw/zinc/95/00/48/949950048.db2.gz WGOMNYJJWXULNA-VOJFVSQTSA-N -1 3 387.419 0.617 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575570902 949950067 /nfs/dbraw/zinc/95/00/67/949950067.db2.gz WGOMNYJJWXULNA-VOJFVSQTSA-N -1 3 387.419 0.617 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575890388 949951301 /nfs/dbraw/zinc/95/13/01/949951301.db2.gz XEZJXAXFFTVUQI-JQWIXIFHSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575890388 949951313 /nfs/dbraw/zinc/95/13/13/949951313.db2.gz XEZJXAXFFTVUQI-JQWIXIFHSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575890387 949951345 /nfs/dbraw/zinc/95/13/45/949951345.db2.gz XEZJXAXFFTVUQI-CMPLNLGQSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575890387 949951365 /nfs/dbraw/zinc/95/13/65/949951365.db2.gz XEZJXAXFFTVUQI-CMPLNLGQSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001574973040 949951415 /nfs/dbraw/zinc/95/14/15/949951415.db2.gz FYPFBARHYMNVNZ-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001574973040 949951431 /nfs/dbraw/zinc/95/14/31/949951431.db2.gz FYPFBARHYMNVNZ-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cnc[nH]1 ZINC001575890542 949954189 /nfs/dbraw/zinc/95/41/89/949954189.db2.gz XUVWDRZZLOUJNF-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cncn1C ZINC001574147813 949954600 /nfs/dbraw/zinc/95/46/00/949954600.db2.gz CVHPTWQAOHZKKC-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cncn1C ZINC001574147813 949954632 /nfs/dbraw/zinc/95/46/32/949954632.db2.gz CVHPTWQAOHZKKC-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001574973577 949955132 /nfs/dbraw/zinc/95/51/32/949955132.db2.gz IILIGGRSPHVXKI-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001574973577 949955160 /nfs/dbraw/zinc/95/51/60/949955160.db2.gz IILIGGRSPHVXKI-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575890607 949959190 /nfs/dbraw/zinc/95/91/90/949959190.db2.gz YQGYVCBNTVKYNZ-IONNQARKSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575890607 949959221 /nfs/dbraw/zinc/95/92/21/949959221.db2.gz YQGYVCBNTVKYNZ-IONNQARKSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnoc1C1CC1 ZINC001574974004 949961373 /nfs/dbraw/zinc/96/13/73/949961373.db2.gz KEUXPEMZFGQGIP-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnoc1C1CC1 ZINC001574974004 949961381 /nfs/dbraw/zinc/96/13/81/949961381.db2.gz KEUXPEMZFGQGIP-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cncnc1 ZINC001574147885 949962895 /nfs/dbraw/zinc/96/28/95/949962895.db2.gz FSPPJUQOXRVUTI-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cncnc1 ZINC001574147885 949962918 /nfs/dbraw/zinc/96/29/18/949962918.db2.gz FSPPJUQOXRVUTI-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574973970 949963907 /nfs/dbraw/zinc/96/39/07/949963907.db2.gz JVXIIVQDAUPYAP-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001574974146 949968127 /nfs/dbraw/zinc/96/81/27/949968127.db2.gz LAJFOTPZQXBGOB-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001574974146 949968146 /nfs/dbraw/zinc/96/81/46/949968146.db2.gz LAJFOTPZQXBGOB-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575286038 949969380 /nfs/dbraw/zinc/96/93/80/949969380.db2.gz SKIPBRNEFMHTIZ-OLZOCXBDSA-N -1 3 382.428 0.819 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575286038 949969390 /nfs/dbraw/zinc/96/93/90/949969390.db2.gz SKIPBRNEFMHTIZ-OLZOCXBDSA-N -1 3 382.428 0.819 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574148052 949970150 /nfs/dbraw/zinc/97/01/50/949970150.db2.gz JPSLGYVLFLHDHD-FJJYHAOUSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574148052 949970172 /nfs/dbraw/zinc/97/01/72/949970172.db2.gz JPSLGYVLFLHDHD-FJJYHAOUSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148039 949973309 /nfs/dbraw/zinc/97/33/09/949973309.db2.gz JHCRDLRAOBAPFW-DGCLKSJQSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148039 949973324 /nfs/dbraw/zinc/97/33/24/949973324.db2.gz JHCRDLRAOBAPFW-DGCLKSJQSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C)cn1 ZINC001574148097 949975332 /nfs/dbraw/zinc/97/53/32/949975332.db2.gz KHYWADQXBJAVKH-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C)cn1 ZINC001574148097 949975357 /nfs/dbraw/zinc/97/53/57/949975357.db2.gz KHYWADQXBJAVKH-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573830383 949976243 /nfs/dbraw/zinc/97/62/43/949976243.db2.gz LPZYVTREMOATGN-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H](O)C(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148170 949976166 /nfs/dbraw/zinc/97/61/66/949976166.db2.gz LUDBJYMXQOSZQE-GXTWGEPZSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H](O)C(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148170 949976180 /nfs/dbraw/zinc/97/61/80/949976180.db2.gz LUDBJYMXQOSZQE-GXTWGEPZSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573830383 949976259 /nfs/dbraw/zinc/97/62/59/949976259.db2.gz LPZYVTREMOATGN-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573830637 949977094 /nfs/dbraw/zinc/97/70/94/949977094.db2.gz MUMCZLJDUWPUOO-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573830637 949977111 /nfs/dbraw/zinc/97/71/11/949977111.db2.gz MUMCZLJDUWPUOO-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574148144 949977752 /nfs/dbraw/zinc/97/77/52/949977752.db2.gz LHRXLLOLSJTWDN-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148144 949977769 /nfs/dbraw/zinc/97/77/69/949977769.db2.gz LHRXLLOLSJTWDN-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1nccn1C ZINC001574974370 949977730 /nfs/dbraw/zinc/97/77/30/949977730.db2.gz PAGNPWKHFOPHGN-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1nccn1C ZINC001574974370 949977743 /nfs/dbraw/zinc/97/77/43/949977743.db2.gz PAGNPWKHFOPHGN-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CCCOC1 ZINC001575572579 949980626 /nfs/dbraw/zinc/98/06/26/949980626.db2.gz GSASIVGTPCMXNM-ZBEGNZNMSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CCCOC1 ZINC001575572579 949980640 /nfs/dbraw/zinc/98/06/40/949980640.db2.gz GSASIVGTPCMXNM-ZBEGNZNMSA-N -1 3 379.396 0.107 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001575891103 949982693 /nfs/dbraw/zinc/98/26/93/949982693.db2.gz DXXINPSDWOUIBW-CHWSQXEVSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C1CC1)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575286497 949986076 /nfs/dbraw/zinc/98/60/76/949986076.db2.gz XFUMICXMVUXALB-VHSXEESVSA-N -1 3 375.408 0.837 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C1CC1)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575286497 949986100 /nfs/dbraw/zinc/98/61/00/949986100.db2.gz XFUMICXMVUXALB-VHSXEESVSA-N -1 3 375.408 0.837 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574490308 949986861 /nfs/dbraw/zinc/98/68/61/949986861.db2.gz PPOBPLGVBVVROP-SNPRPXQTSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574490308 949986874 /nfs/dbraw/zinc/98/68/74/949986874.db2.gz PPOBPLGVBVVROP-SNPRPXQTSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574490317 949986983 /nfs/dbraw/zinc/98/69/83/949986983.db2.gz PSSZLGDQDBWOJV-MBNYWOFBSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574490317 949987004 /nfs/dbraw/zinc/98/70/04/949987004.db2.gz PSSZLGDQDBWOJV-MBNYWOFBSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCOC1 ZINC001575573252 949987876 /nfs/dbraw/zinc/98/78/76/949987876.db2.gz KZKWUAGMPUPSOP-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCOC1 ZINC001575573252 949987891 /nfs/dbraw/zinc/98/78/91/949987891.db2.gz KZKWUAGMPUPSOP-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCOC1 ZINC001575573253 949988506 /nfs/dbraw/zinc/98/85/06/949988506.db2.gz KZKWUAGMPUPSOP-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCOC1 ZINC001575573253 949988527 /nfs/dbraw/zinc/98/85/27/949988527.db2.gz KZKWUAGMPUPSOP-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)COCC(F)F ZINC001575891162 949989498 /nfs/dbraw/zinc/98/94/98/949989498.db2.gz FZBWXAIYUYHDSJ-DTWKUNHWSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)COCC(F)F ZINC001575891162 949989519 /nfs/dbraw/zinc/98/95/19/949989519.db2.gz FZBWXAIYUYHDSJ-DTWKUNHWSA-N -1 3 383.359 0.196 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC(C)(C)O ZINC001574148806 949992135 /nfs/dbraw/zinc/99/21/35/949992135.db2.gz QQBHQMCTVHWMJS-GFCCVEGCSA-N -1 3 377.449 0.617 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC(C)(C)O ZINC001574148806 949992158 /nfs/dbraw/zinc/99/21/58/949992158.db2.gz QQBHQMCTVHWMJS-GFCCVEGCSA-N -1 3 377.449 0.617 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574490479 949994040 /nfs/dbraw/zinc/99/40/40/949994040.db2.gz SOEUWLPSXAWOTQ-DCAQKATOSA-N -1 3 388.407 0.242 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574490479 949994056 /nfs/dbraw/zinc/99/40/56/949994056.db2.gz SOEUWLPSXAWOTQ-DCAQKATOSA-N -1 3 388.407 0.242 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cccnn1 ZINC001574148782 949995236 /nfs/dbraw/zinc/99/52/36/949995236.db2.gz QBWCVUDIGPXRFT-LLVKDONJSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cccnn1 ZINC001574148782 949995266 /nfs/dbraw/zinc/99/52/66/949995266.db2.gz QBWCVUDIGPXRFT-LLVKDONJSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575287026 949996933 /nfs/dbraw/zinc/99/69/33/949996933.db2.gz ZPMVRCOXBOBTER-NWDGAFQWSA-N -1 3 383.416 0.214 20 0 GCADHM C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575287026 949996947 /nfs/dbraw/zinc/99/69/47/949996947.db2.gz ZPMVRCOXBOBTER-NWDGAFQWSA-N -1 3 383.416 0.214 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574148837 949997804 /nfs/dbraw/zinc/99/78/04/949997804.db2.gz QZJACCOUOCLFSK-VXGBXAGGSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574148837 949997822 /nfs/dbraw/zinc/99/78/22/949997822.db2.gz QZJACCOUOCLFSK-VXGBXAGGSA-N -1 3 375.433 0.492 20 0 GCADHM 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C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575892267 950066254 /nfs/dbraw/zinc/06/62/54/950066254.db2.gz VBZCLFHQNIEBKM-WDEREUQCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1CC(=O)NC(C)(C)C ZINC001575892461 950071959 /nfs/dbraw/zinc/07/19/59/950071959.db2.gz WIFNIQOHMOKYKF-VXGBXAGGSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)NC(C)(C)C ZINC001575892461 950071984 /nfs/dbraw/zinc/07/19/84/950071984.db2.gz WIFNIQOHMOKYKF-VXGBXAGGSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC001574976344 950072058 /nfs/dbraw/zinc/07/20/58/950072058.db2.gz QOXHPBVXGFIKQG-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC001574976344 950072080 /nfs/dbraw/zinc/07/20/80/950072080.db2.gz QOXHPBVXGFIKQG-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182880 950072333 /nfs/dbraw/zinc/07/23/33/950072333.db2.gz NUZAIVABCHYYMF-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182880 950072355 /nfs/dbraw/zinc/07/23/55/950072355.db2.gz NUZAIVABCHYYMF-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM O=C([O-])[C@H]1CCCN(c2ccc(CN3CCC4(CC3)NC(=O)NC4=O)o2)C1 ZINC001595291755 950074672 /nfs/dbraw/zinc/07/46/72/950074672.db2.gz LUYPPNVBFWHVEU-LBPRGKRZSA-N -1 3 376.413 0.755 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CC2)CCCS1(=O)=O ZINC001575576632 950074911 /nfs/dbraw/zinc/07/49/11/950074911.db2.gz SGIJPXPZRLXYSZ-HNNXBMFYSA-N -1 3 391.457 0.290 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CC2)CCCS1(=O)=O ZINC001575576632 950074930 /nfs/dbraw/zinc/07/49/30/950074930.db2.gz SGIJPXPZRLXYSZ-HNNXBMFYSA-N -1 3 391.457 0.290 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)C1CCOCC1 ZINC001574976392 950077058 /nfs/dbraw/zinc/07/70/58/950077058.db2.gz RTZRZFBDYGFBMQ-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)C1CCOCC1 ZINC001574976392 950077078 /nfs/dbraw/zinc/07/70/78/950077078.db2.gz RTZRZFBDYGFBMQ-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnccn1 ZINC001574151487 950078294 /nfs/dbraw/zinc/07/82/94/950078294.db2.gz SUXSPYQGNBNBNF-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnccn1 ZINC001574151487 950078317 /nfs/dbraw/zinc/07/83/17/950078317.db2.gz SUXSPYQGNBNBNF-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1ncccc1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574732906 950078775 /nfs/dbraw/zinc/07/87/75/950078775.db2.gz MHPAFZLBGFCHMT-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1ncccc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574732906 950078796 /nfs/dbraw/zinc/07/87/96/950078796.db2.gz MHPAFZLBGFCHMT-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574976503 950080682 /nfs/dbraw/zinc/08/06/82/950080682.db2.gz UMOSOFAASJGPFG-KOLCDFICSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576183300 950082034 /nfs/dbraw/zinc/08/20/34/950082034.db2.gz PCUYYLOPRMCJRH-NEPJUHHUSA-N -1 3 382.432 0.519 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1csnn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151560 950085236 /nfs/dbraw/zinc/08/52/36/950085236.db2.gz VBOFIZKRXYXYNJ-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1csnn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151560 950085250 /nfs/dbraw/zinc/08/52/50/950085250.db2.gz VBOFIZKRXYXYNJ-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574732975 950085940 /nfs/dbraw/zinc/08/59/40/950085940.db2.gz OKNDFVJTVSCHLY-WFASDCNBSA-N -1 3 386.460 0.920 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574732975 950085956 /nfs/dbraw/zinc/08/59/56/950085956.db2.gz OKNDFVJTVSCHLY-WFASDCNBSA-N -1 3 386.460 0.920 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576183402 950086504 /nfs/dbraw/zinc/08/65/04/950086504.db2.gz RHJDVMNZCKAAJZ-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576183402 950086529 /nfs/dbraw/zinc/08/65/29/950086529.db2.gz RHJDVMNZCKAAJZ-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575892785 950086825 /nfs/dbraw/zinc/08/68/25/950086825.db2.gz ZLGSBLREORQIMU-JQWIXIFHSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575892785 950086847 /nfs/dbraw/zinc/08/68/47/950086847.db2.gz ZLGSBLREORQIMU-JQWIXIFHSA-N -1 3 381.400 0.545 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574732974 950087002 /nfs/dbraw/zinc/08/70/02/950087002.db2.gz OKNDFVJTVSCHLY-DOMZBBRYSA-N -1 3 386.460 0.920 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574732974 950087023 /nfs/dbraw/zinc/08/70/23/950087023.db2.gz OKNDFVJTVSCHLY-DOMZBBRYSA-N -1 3 386.460 0.920 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCOc1ccccc1 ZINC001574976554 950087424 /nfs/dbraw/zinc/08/74/24/950087424.db2.gz VHKYYUUBXZNHFP-GFCCVEGCSA-N -1 3 383.412 0.898 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCOc1ccccc1 ZINC001574976554 950087444 /nfs/dbraw/zinc/08/74/44/950087444.db2.gz VHKYYUUBXZNHFP-GFCCVEGCSA-N -1 3 383.412 0.898 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573836716 950088487 /nfs/dbraw/zinc/08/84/87/950088487.db2.gz ORWJQBNQJGYQQN-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573836716 950088505 /nfs/dbraw/zinc/08/85/05/950088505.db2.gz ORWJQBNQJGYQQN-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001574976621 950088897 /nfs/dbraw/zinc/08/88/97/950088897.db2.gz WTOJVPQRDNAEHP-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001574976621 950088922 /nfs/dbraw/zinc/08/89/22/950088922.db2.gz WTOJVPQRDNAEHP-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573836725 950090193 /nfs/dbraw/zinc/09/01/93/950090193.db2.gz OYHAZXJSKWPGHP-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573836725 950090212 /nfs/dbraw/zinc/09/02/12/950090212.db2.gz OYHAZXJSKWPGHP-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCC1 ZINC001575577959 950091447 /nfs/dbraw/zinc/09/14/47/950091447.db2.gz ZECBBMZONHKPPT-LLVKDONJSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCC1 ZINC001575577959 950091469 /nfs/dbraw/zinc/09/14/69/950091469.db2.gz ZECBBMZONHKPPT-LLVKDONJSA-N -1 3 375.433 0.372 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574492601 950094012 /nfs/dbraw/zinc/09/40/12/950094012.db2.gz BRWSGBNQIGXBCV-YPMHNXCESA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001574492601 950094033 /nfs/dbraw/zinc/09/40/33/950094033.db2.gz BRWSGBNQIGXBCV-YPMHNXCESA-N -1 3 391.476 0.816 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ncc(-c4nnn[n-]4)cc3F)CC2)CCC(=O)NC1 ZINC001575581992 950095877 /nfs/dbraw/zinc/09/58/77/950095877.db2.gz AYAYZNKYWSEJDH-INIZCTEOSA-N -1 3 388.407 0.378 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ncc(-c4nn[n-]n4)cc3F)CC2)CCC(=O)NC1 ZINC001575581992 950095896 /nfs/dbraw/zinc/09/58/96/950095896.db2.gz AYAYZNKYWSEJDH-INIZCTEOSA-N -1 3 388.407 0.378 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1(C2CC2)CCOCC1 ZINC001574976728 950097396 /nfs/dbraw/zinc/09/73/96/950097396.db2.gz ZMKCWPGIRHMFEZ-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1(C2CC2)CCOCC1 ZINC001574976728 950097413 /nfs/dbraw/zinc/09/74/13/950097413.db2.gz ZMKCWPGIRHMFEZ-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573836977 950098185 /nfs/dbraw/zinc/09/81/85/950098185.db2.gz UZYUODOUBCTUAY-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573836977 950098202 /nfs/dbraw/zinc/09/82/02/950098202.db2.gz UZYUODOUBCTUAY-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)C[C@@H](CNCc1nncs1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574152350 950099959 /nfs/dbraw/zinc/09/99/59/950099959.db2.gz AITRZKQRDZLJTL-NSHDSACASA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)C[C@@H](CNCc1nncs1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574152350 950099977 /nfs/dbraw/zinc/09/99/77/950099977.db2.gz AITRZKQRDZLJTL-NSHDSACASA-N -1 3 375.462 0.981 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575894404 950101688 /nfs/dbraw/zinc/10/16/88/950101688.db2.gz DOQDPIXCXYQITE-IINYFYTJSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575894404 950101695 /nfs/dbraw/zinc/10/16/95/950101695.db2.gz DOQDPIXCXYQITE-IINYFYTJSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c(F)cncc1F ZINC001574976844 950102227 /nfs/dbraw/zinc/10/22/27/950102227.db2.gz BZDVLLKQACDORB-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c(F)cncc1F ZINC001574976844 950102238 /nfs/dbraw/zinc/10/22/38/950102238.db2.gz BZDVLLKQACDORB-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574152434 950102593 /nfs/dbraw/zinc/10/25/93/950102593.db2.gz CAZKVSTVVDFBOY-STQMWFEESA-N -1 3 387.448 0.228 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574152434 950102602 /nfs/dbraw/zinc/10/26/02/950102602.db2.gz CAZKVSTVVDFBOY-STQMWFEESA-N -1 3 387.448 0.228 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574152438 950103147 /nfs/dbraw/zinc/10/31/47/950103147.db2.gz CDXLKLVEXQFZES-TZMCWYRMSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574152438 950103161 /nfs/dbraw/zinc/10/31/61/950103161.db2.gz CDXLKLVEXQFZES-TZMCWYRMSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576183858 950104269 /nfs/dbraw/zinc/10/42/69/950104269.db2.gz RRXGAAJJSZUTCM-NEPJUHHUSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576183858 950104284 /nfs/dbraw/zinc/10/42/84/950104284.db2.gz RRXGAAJJSZUTCM-NEPJUHHUSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1onc2c1CCCC2 ZINC001574976933 950104984 /nfs/dbraw/zinc/10/49/84/950104984.db2.gz CQLJLCCAJVZYMI-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1onc2c1CCCC2 ZINC001574976933 950104996 /nfs/dbraw/zinc/10/49/96/950104996.db2.gz CQLJLCCAJVZYMI-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1)NC(N)=O ZINC001574492808 950107575 /nfs/dbraw/zinc/10/75/75/950107575.db2.gz CXSJAPKLQLXDLV-PRHODGIISA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1)NC(N)=O ZINC001574492808 950107586 /nfs/dbraw/zinc/10/75/86/950107586.db2.gz CXSJAPKLQLXDLV-PRHODGIISA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574492873 950109387 /nfs/dbraw/zinc/10/93/87/950109387.db2.gz DKRRWKGZPLURAW-MNOVXSKESA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574492873 950109400 /nfs/dbraw/zinc/10/94/00/950109400.db2.gz DKRRWKGZPLURAW-MNOVXSKESA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574492980 950111462 /nfs/dbraw/zinc/11/14/62/950111462.db2.gz PZNCNCRSDCFABS-UNXYVOJBSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@@H](CC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574492980 950111477 /nfs/dbraw/zinc/11/14/77/950111477.db2.gz PZNCNCRSDCFABS-UNXYVOJBSA-N -1 3 387.448 0.548 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574152565 950111971 /nfs/dbraw/zinc/11/19/71/950111971.db2.gz GGMODWZKDMHOIQ-OCCSQVGLSA-N -1 3 387.448 0.228 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574152565 950111987 /nfs/dbraw/zinc/11/19/87/950111987.db2.gz GGMODWZKDMHOIQ-OCCSQVGLSA-N -1 3 387.448 0.228 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573838421 950112415 /nfs/dbraw/zinc/11/24/15/950112415.db2.gz CTFJAIPPFJZSNX-NSHDSACASA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573838421 950112428 /nfs/dbraw/zinc/11/24/28/950112428.db2.gz CTFJAIPPFJZSNX-NSHDSACASA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574152613 950112611 /nfs/dbraw/zinc/11/26/11/950112611.db2.gz HKUVBPRFXSXEPD-OCCSQVGLSA-N -1 3 386.460 0.683 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574152613 950112628 /nfs/dbraw/zinc/11/26/28/950112628.db2.gz HKUVBPRFXSXEPD-OCCSQVGLSA-N -1 3 386.460 0.683 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574733486 950114378 /nfs/dbraw/zinc/11/43/78/950114378.db2.gz CJTDMJATJJXYCD-QJPTWQEYSA-N -1 3 397.443 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574733486 950114396 /nfs/dbraw/zinc/11/43/96/950114396.db2.gz CJTDMJATJJXYCD-QJPTWQEYSA-N -1 3 397.443 0.309 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575582530 950115196 /nfs/dbraw/zinc/11/51/96/950115196.db2.gz FFWFHGCPFOIWNK-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575582530 950115206 /nfs/dbraw/zinc/11/52/06/950115206.db2.gz FFWFHGCPFOIWNK-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574493184 950116196 /nfs/dbraw/zinc/11/61/96/950116196.db2.gz FHQNDTVGCMOOEQ-CMPLNLGQSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574493184 950116210 /nfs/dbraw/zinc/11/62/10/950116210.db2.gz FHQNDTVGCMOOEQ-CMPLNLGQSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574733568 950119250 /nfs/dbraw/zinc/11/92/50/950119250.db2.gz DLKVFFNVDRSAGR-GXFFZTMASA-N -1 3 375.408 0.885 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574733568 950119267 /nfs/dbraw/zinc/11/92/67/950119267.db2.gz DLKVFFNVDRSAGR-GXFFZTMASA-N -1 3 375.408 0.885 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc2n[nH]cc2c1 ZINC001574977561 950121589 /nfs/dbraw/zinc/12/15/89/950121589.db2.gz LFZOTIIHNIVWRP-SECBINFHSA-N -1 3 379.384 0.619 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnns2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896153 950122050 /nfs/dbraw/zinc/12/20/50/950122050.db2.gz KQKBJTCFCHKKOM-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnns2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896153 950122076 /nfs/dbraw/zinc/12/20/76/950122076.db2.gz KQKBJTCFCHKKOM-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574152860 950122625 /nfs/dbraw/zinc/12/26/25/950122625.db2.gz KVIKCUQKZPILOQ-ZBFHGGJFSA-N -1 3 388.476 0.535 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574152860 950122643 /nfs/dbraw/zinc/12/26/43/950122643.db2.gz KVIKCUQKZPILOQ-ZBFHGGJFSA-N -1 3 388.476 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575896117 950123917 /nfs/dbraw/zinc/12/39/17/950123917.db2.gz KBNVHZPQAQMWHT-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575896117 950123925 /nfs/dbraw/zinc/12/39/25/950123925.db2.gz KBNVHZPQAQMWHT-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CNC(=O)C1CC1 ZINC001574152906 950124886 /nfs/dbraw/zinc/12/48/86/950124886.db2.gz LPAVOCBAQGEMIK-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CNC(=O)C1CC1 ZINC001574152906 950124899 /nfs/dbraw/zinc/12/48/99/950124899.db2.gz LPAVOCBAQGEMIK-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575582716 950126079 /nfs/dbraw/zinc/12/60/79/950126079.db2.gz MFWZKYKEYRCXNP-MSOLQXFVSA-N -1 3 387.444 0.136 20 0 GCADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575582716 950126093 /nfs/dbraw/zinc/12/60/93/950126093.db2.gz MFWZKYKEYRCXNP-MSOLQXFVSA-N -1 3 387.444 0.136 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ncccc1-c1nnn[n-]1 ZINC001574734110 950127306 /nfs/dbraw/zinc/12/73/06/950127306.db2.gz JEBVABIQJOMNCX-PWNZVWSESA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ncccc1-c1nn[n-]n1 ZINC001574734110 950127315 /nfs/dbraw/zinc/12/73/15/950127315.db2.gz JEBVABIQJOMNCX-PWNZVWSESA-N -1 3 387.444 0.572 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574493322 950128531 /nfs/dbraw/zinc/12/85/31/950128531.db2.gz SICSXGNSVZYWLS-DGCLKSJQSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574493322 950128549 /nfs/dbraw/zinc/12/85/49/950128549.db2.gz SICSXGNSVZYWLS-DGCLKSJQSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@]1(C(=O)NCC2CC(Nc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575582848 950128783 /nfs/dbraw/zinc/12/87/83/950128783.db2.gz HSXBERBCLUESGT-GFJXOLGBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NCC2CC(Nc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575582848 950128808 /nfs/dbraw/zinc/12/88/08/950128808.db2.gz HSXBERBCLUESGT-GFJXOLGBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1snnc1C1CC1 ZINC001574978023 950131437 /nfs/dbraw/zinc/13/14/37/950131437.db2.gz PKSXWZYFEDOSRM-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1snnc1C1CC1 ZINC001574978023 950131449 /nfs/dbraw/zinc/13/14/49/950131449.db2.gz PKSXWZYFEDOSRM-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CS(C)(=O)=O ZINC001574153178 950131790 /nfs/dbraw/zinc/13/17/90/950131790.db2.gz OUKGYBDLFHJSAQ-GFCCVEGCSA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CS(C)(=O)=O ZINC001574153178 950131804 /nfs/dbraw/zinc/13/18/04/950131804.db2.gz OUKGYBDLFHJSAQ-GFCCVEGCSA-N -1 3 381.462 0.249 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncnc2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896718 950132803 /nfs/dbraw/zinc/13/28/03/950132803.db2.gz MVHLEWUUZZDPGG-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896718 950132823 /nfs/dbraw/zinc/13/28/23/950132823.db2.gz MVHLEWUUZZDPGG-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCn1ccnn1 ZINC001574153230 950133562 /nfs/dbraw/zinc/13/35/62/950133562.db2.gz POSDBZWGICLJAL-AWEZNQCLSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CCn1ccnn1 ZINC001574153230 950133575 /nfs/dbraw/zinc/13/35/75/950133575.db2.gz POSDBZWGICLJAL-AWEZNQCLSA-N -1 3 384.448 0.886 20 0 GCADHM CC1(C(=O)NCC2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCC1 ZINC001575582928 950134989 /nfs/dbraw/zinc/13/49/89/950134989.db2.gz MXQUEEMOXTZCCL-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NCC2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCC1 ZINC001575582928 950135001 /nfs/dbraw/zinc/13/50/01/950135001.db2.gz MXQUEEMOXTZCCL-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574493578 950138365 /nfs/dbraw/zinc/13/83/65/950138365.db2.gz UDXOLVDGVIHXFI-NXEZZACHSA-N -1 3 376.396 0.148 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574493578 950138385 /nfs/dbraw/zinc/13/83/85/950138385.db2.gz UDXOLVDGVIHXFI-NXEZZACHSA-N -1 3 376.396 0.148 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574493583 950138721 /nfs/dbraw/zinc/13/87/21/950138721.db2.gz UDXOLVDGVIHXFI-ZJUUUORDSA-N -1 3 376.396 0.148 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574493583 950138734 /nfs/dbraw/zinc/13/87/34/950138734.db2.gz UDXOLVDGVIHXFI-ZJUUUORDSA-N -1 3 376.396 0.148 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574493821 950142133 /nfs/dbraw/zinc/14/21/33/950142133.db2.gz HYJDOHAEMYIRNH-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001574493821 950142146 /nfs/dbraw/zinc/14/21/46/950142146.db2.gz HYJDOHAEMYIRNH-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575583242 950142369 /nfs/dbraw/zinc/14/23/69/950142369.db2.gz KRFFELROQZOUQS-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575583242 950142378 /nfs/dbraw/zinc/14/23/78/950142378.db2.gz KRFFELROQZOUQS-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCOCC1 ZINC001575583441 950145105 /nfs/dbraw/zinc/14/51/05/950145105.db2.gz RHYUHKWYHXZSEX-SFHVURJKSA-N -1 3 387.444 0.136 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCOCC1 ZINC001575583441 950145119 /nfs/dbraw/zinc/14/51/19/950145119.db2.gz RHYUHKWYHXZSEX-SFHVURJKSA-N -1 3 387.444 0.136 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCC(C)CC1 ZINC001576184908 950145755 /nfs/dbraw/zinc/14/57/55/950145755.db2.gz XYEWUNCTBHNVIJ-ZDUSSCGKSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)N1CCC(C)CC1 ZINC001576184908 950145773 /nfs/dbraw/zinc/14/57/73/950145773.db2.gz XYEWUNCTBHNVIJ-ZDUSSCGKSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001574979099 950146710 /nfs/dbraw/zinc/14/67/10/950146710.db2.gz WBNBDVZLBNMEPG-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001574979099 950146725 /nfs/dbraw/zinc/14/67/25/950146725.db2.gz WBNBDVZLBNMEPG-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C=CCC1 ZINC001575583599 950148780 /nfs/dbraw/zinc/14/87/80/950148780.db2.gz STMXZJXAOWLOKJ-ZWKOTPCHSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C=CCC1 ZINC001575583599 950148794 /nfs/dbraw/zinc/14/87/94/950148794.db2.gz STMXZJXAOWLOKJ-ZWKOTPCHSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574494032 950150351 /nfs/dbraw/zinc/15/03/51/950150351.db2.gz WVWCEYZWQHHEEQ-NXEZZACHSA-N -1 3 378.462 0.066 20 0 GCADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C=CCC1 ZINC001575583594 950151205 /nfs/dbraw/zinc/15/12/05/950151205.db2.gz STMXZJXAOWLOKJ-QZTJIDSGSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C=CCC1 ZINC001575583594 950151215 /nfs/dbraw/zinc/15/12/15/950151215.db2.gz STMXZJXAOWLOKJ-QZTJIDSGSA-N -1 3 385.428 0.244 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@@H]1CCNC1=O ZINC001574153823 950152081 /nfs/dbraw/zinc/15/20/81/950152081.db2.gz XIRVVEYVPFZJEA-JSGCOSHPSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@@H]1CCNC1=O ZINC001574153823 950152095 /nfs/dbraw/zinc/15/20/95/950152095.db2.gz XIRVVEYVPFZJEA-JSGCOSHPSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574979347 950152229 /nfs/dbraw/zinc/15/22/29/950152229.db2.gz YNZOBOJRXYJCFH-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574979347 950152242 /nfs/dbraw/zinc/15/22/42/950152242.db2.gz YNZOBOJRXYJCFH-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001573842646 950154145 /nfs/dbraw/zinc/15/41/45/950154145.db2.gz JQEDKEQWCVHSEL-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001573842646 950154159 /nfs/dbraw/zinc/15/41/59/950154159.db2.gz JQEDKEQWCVHSEL-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCC(C)CC1 ZINC001576185100 950154794 /nfs/dbraw/zinc/15/47/94/950154794.db2.gz ZNXGGZBOOLAGOT-CYBMUJFWSA-N -1 3 388.476 0.503 20 0 GCADHM CC(C)(C)CC[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC001573842825 950155288 /nfs/dbraw/zinc/15/52/88/950155288.db2.gz LKASPYVRLAOUBR-ZDUSSCGKSA-N -1 3 380.474 0.966 20 0 GCADHM CC(C)(C)CC[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001573842825 950155311 /nfs/dbraw/zinc/15/53/11/950155311.db2.gz LKASPYVRLAOUBR-ZDUSSCGKSA-N -1 3 380.474 0.966 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cc(F)ccc1F ZINC001574979480 950155620 /nfs/dbraw/zinc/15/56/20/950155620.db2.gz ZRIFSHSSDFAAOE-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cc(F)ccc1F ZINC001574979480 950155641 /nfs/dbraw/zinc/15/56/41/950155641.db2.gz ZRIFSHSSDFAAOE-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnccn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575898531 950156578 /nfs/dbraw/zinc/15/65/78/950156578.db2.gz SVGYIAZYJZZVQA-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnccn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575898531 950156591 /nfs/dbraw/zinc/15/65/91/950156591.db2.gz SVGYIAZYJZZVQA-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575898848 950160841 /nfs/dbraw/zinc/16/08/41/950160841.db2.gz VDPWDQOWUGEOCX-GXFFZTMASA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575898848 950160853 /nfs/dbraw/zinc/16/08/53/950160853.db2.gz VDPWDQOWUGEOCX-GXFFZTMASA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)c1ccon1 ZINC001576190451 950163773 /nfs/dbraw/zinc/16/37/73/950163773.db2.gz BPTXKKDXIFBPPD-WDEREUQCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)c1ccon1 ZINC001576190451 950163788 /nfs/dbraw/zinc/16/37/88/950163788.db2.gz BPTXKKDXIFBPPD-WDEREUQCSA-N -1 3 384.400 0.711 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574154145 950165724 /nfs/dbraw/zinc/16/57/24/950165724.db2.gz CAGRTUIMTSAPCA-LBPRGKRZSA-N -1 3 385.432 0.957 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574154145 950165743 /nfs/dbraw/zinc/16/57/43/950165743.db2.gz CAGRTUIMTSAPCA-LBPRGKRZSA-N -1 3 385.432 0.957 20 0 GCADHM CC(C)(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573843235 950170812 /nfs/dbraw/zinc/17/08/12/950170812.db2.gz SMMXRHNFADKMOX-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573843235 950170826 /nfs/dbraw/zinc/17/08/26/950170826.db2.gz SMMXRHNFADKMOX-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899713 950172982 /nfs/dbraw/zinc/17/29/82/950172982.db2.gz YGBYIPWZVNEABX-MNOVXSKESA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899713 950172993 /nfs/dbraw/zinc/17/29/93/950172993.db2.gz YGBYIPWZVNEABX-MNOVXSKESA-N -1 3 383.416 0.351 20 0 GCADHM CC1(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCC1 ZINC001575584621 950173978 /nfs/dbraw/zinc/17/39/78/950173978.db2.gz YZUCISRGYLJFSM-QGZVFWFLSA-N -1 3 375.408 0.648 20 0 GCADHM CC1(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCC1 ZINC001575584621 950173986 /nfs/dbraw/zinc/17/39/86/950173986.db2.gz YZUCISRGYLJFSM-QGZVFWFLSA-N -1 3 375.408 0.648 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnnn1C(C)(C)C ZINC001574738563 950174535 /nfs/dbraw/zinc/17/45/35/950174535.db2.gz GNNNJGHZLDCMAV-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@H]1O ZINC001576190957 950175299 /nfs/dbraw/zinc/17/52/99/950175299.db2.gz FAFBSXYZQWRUMA-SWLSCSKDSA-N -1 3 386.460 0.643 20 0 GCADHM C[C@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C[C@H]1O ZINC001576190957 950175314 /nfs/dbraw/zinc/17/53/14/950175314.db2.gz FAFBSXYZQWRUMA-SWLSCSKDSA-N -1 3 386.460 0.643 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc2n1CCC2 ZINC001574738637 950175371 /nfs/dbraw/zinc/17/53/71/950175371.db2.gz HMKIJESFWDJZRK-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc2n1CCC2 ZINC001574738637 950175394 /nfs/dbraw/zinc/17/53/94/950175394.db2.gz HMKIJESFWDJZRK-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H]1CCN(C(=O)c2cocn2)C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576190898 950175707 /nfs/dbraw/zinc/17/57/07/950175707.db2.gz CJUDWJMQPXMHOC-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2cocn2)C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576190898 950175715 /nfs/dbraw/zinc/17/57/15/950175715.db2.gz CJUDWJMQPXMHOC-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@@H]1O ZINC001576190955 950176620 /nfs/dbraw/zinc/17/66/20/950176620.db2.gz FAFBSXYZQWRUMA-DOMZBBRYSA-N -1 3 386.460 0.643 20 0 GCADHM C[C@@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C[C@@H]1O ZINC001576190955 950176628 /nfs/dbraw/zinc/17/66/28/950176628.db2.gz FAFBSXYZQWRUMA-DOMZBBRYSA-N -1 3 386.460 0.643 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1nccnc1N ZINC001574154967 950178233 /nfs/dbraw/zinc/17/82/33/950178233.db2.gz HHHAFKBGLIAFMQ-LBPRGKRZSA-N -1 3 382.432 0.891 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1nccnc1N ZINC001574154967 950178244 /nfs/dbraw/zinc/17/82/44/950178244.db2.gz HHHAFKBGLIAFMQ-LBPRGKRZSA-N -1 3 382.432 0.891 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cnc2n1CCC2 ZINC001574982893 950186433 /nfs/dbraw/zinc/18/64/33/950186433.db2.gz HVAJDJDUQKXBNI-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cnc2n1CCC2 ZINC001574982893 950186448 /nfs/dbraw/zinc/18/64/48/950186448.db2.gz HVAJDJDUQKXBNI-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575899952 950186667 /nfs/dbraw/zinc/18/66/67/950186667.db2.gz BCQNNVPJTUIMGE-KOLCDFICSA-N -1 3 388.461 0.235 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001575899952 950186679 /nfs/dbraw/zinc/18/66/79/950186679.db2.gz BCQNNVPJTUIMGE-KOLCDFICSA-N -1 3 388.461 0.235 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574982849 950186955 /nfs/dbraw/zinc/18/69/55/950186955.db2.gz HCOPCWQXGAGGEU-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574982849 950186974 /nfs/dbraw/zinc/18/69/74/950186974.db2.gz HCOPCWQXGAGGEU-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575899950 950188274 /nfs/dbraw/zinc/18/82/74/950188274.db2.gz BCQNNVPJTUIMGE-GXSJLCMTSA-N -1 3 388.461 0.235 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001575899950 950188283 /nfs/dbraw/zinc/18/82/83/950188283.db2.gz BCQNNVPJTUIMGE-GXSJLCMTSA-N -1 3 388.461 0.235 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576191219 950188960 /nfs/dbraw/zinc/18/89/60/950188960.db2.gz HBZVNCKTNPDMJF-CHWSQXEVSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576191219 950188970 /nfs/dbraw/zinc/18/89/70/950188970.db2.gz HBZVNCKTNPDMJF-CHWSQXEVSA-N -1 3 382.432 0.450 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573844349 950192097 /nfs/dbraw/zinc/19/20/97/950192097.db2.gz HBBCRVLAKIYZJB-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573844349 950192116 /nfs/dbraw/zinc/19/21/16/950192116.db2.gz HBBCRVLAKIYZJB-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001574982978 950193690 /nfs/dbraw/zinc/19/36/90/950193690.db2.gz ILSNTQRNTWMRKX-WCQYABFASA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001574982978 950193711 /nfs/dbraw/zinc/19/37/11/950193711.db2.gz ILSNTQRNTWMRKX-WCQYABFASA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576191320 950194187 /nfs/dbraw/zinc/19/41/87/950194187.db2.gz DUMBFABPDCASMA-CMPLNLGQSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576191320 950194200 /nfs/dbraw/zinc/19/42/00/950194200.db2.gz DUMBFABPDCASMA-CMPLNLGQSA-N -1 3 383.416 0.446 20 0 GCADHM CC(C)(C)CCCC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573844366 950194428 /nfs/dbraw/zinc/19/44/28/950194428.db2.gz HSXCNHXJNGUBJD-GFCCVEGCSA-N -1 3 377.449 0.618 20 0 GCADHM CC(C)(C)CCCC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573844366 950194442 /nfs/dbraw/zinc/19/44/42/950194442.db2.gz HSXCNHXJNGUBJD-GFCCVEGCSA-N -1 3 377.449 0.618 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ncccc1F ZINC001574739448 950194959 /nfs/dbraw/zinc/19/49/59/950194959.db2.gz QEVNVPPIELMHRN-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ncccc1F ZINC001574739448 950194968 /nfs/dbraw/zinc/19/49/68/950194968.db2.gz QEVNVPPIELMHRN-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2csnn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575900327 950195106 /nfs/dbraw/zinc/19/51/06/950195106.db2.gz DVRPKANAZGQMLQ-BDAKNGLRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2csnn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575900327 950195114 /nfs/dbraw/zinc/19/51/14/950195114.db2.gz DVRPKANAZGQMLQ-BDAKNGLRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C2CC2)on1 ZINC001574739599 950199559 /nfs/dbraw/zinc/19/95/59/950199559.db2.gz SRYQLCLFWJZGSD-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C2CC2)on1 ZINC001574739599 950199571 /nfs/dbraw/zinc/19/95/71/950199571.db2.gz SRYQLCLFWJZGSD-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573844703 950201248 /nfs/dbraw/zinc/20/12/48/950201248.db2.gz FURRCSWJENEDLU-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573844703 950201269 /nfs/dbraw/zinc/20/12/69/950201269.db2.gz FURRCSWJENEDLU-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl)NC(N)=O ZINC001574495318 950201289 /nfs/dbraw/zinc/20/12/89/950201289.db2.gz SFEYFGIWTQLENJ-YUMQZZPRSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl)NC(N)=O ZINC001574495318 950201312 /nfs/dbraw/zinc/20/13/12/950201312.db2.gz SFEYFGIWTQLENJ-YUMQZZPRSA-N -1 3 381.828 0.279 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573844589 950202085 /nfs/dbraw/zinc/20/20/85/950202085.db2.gz CJANWFCSYZUBJI-UHFFFAOYSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573844589 950202096 /nfs/dbraw/zinc/20/20/96/950202096.db2.gz CJANWFCSYZUBJI-UHFFFAOYSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNC(=O)c1ccon1 ZINC001576191672 950204021 /nfs/dbraw/zinc/20/40/21/950204021.db2.gz IUTGABPYMGJFGQ-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNC(=O)c1ccon1 ZINC001576191672 950204034 /nfs/dbraw/zinc/20/40/34/950204034.db2.gz IUTGABPYMGJFGQ-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573844595 950204409 /nfs/dbraw/zinc/20/44/09/950204409.db2.gz KHIZCSCXCOOAIG-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573844595 950204426 /nfs/dbraw/zinc/20/44/26/950204426.db2.gz KHIZCSCXCOOAIG-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001574983156 950205940 /nfs/dbraw/zinc/20/59/40/950205940.db2.gz LDOUFNMJBNNZBO-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001574983156 950205952 /nfs/dbraw/zinc/20/59/52/950205952.db2.gz LDOUFNMJBNNZBO-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@H](CC(=O)NC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574495691 950207397 /nfs/dbraw/zinc/20/73/97/950207397.db2.gz UPTNWOQRPVSLBY-RNCFNFMXSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@H](CC(=O)NC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574495691 950207415 /nfs/dbraw/zinc/20/74/15/950207415.db2.gz UPTNWOQRPVSLBY-RNCFNFMXSA-N -1 3 390.423 0.759 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574739687 950208111 /nfs/dbraw/zinc/20/81/11/950208111.db2.gz VVLXSTGMVZUBJK-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574739687 950208127 /nfs/dbraw/zinc/20/81/27/950208127.db2.gz VVLXSTGMVZUBJK-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575585842 950209007 /nfs/dbraw/zinc/20/90/07/950209007.db2.gz DNXJWEAQMDKTKK-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575585842 950209019 /nfs/dbraw/zinc/20/90/19/950209019.db2.gz DNXJWEAQMDKTKK-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1noc2c1COCC2 ZINC001574739775 950211655 /nfs/dbraw/zinc/21/16/55/950211655.db2.gz XMCOPRFYYHWGCD-SNVBAGLBSA-N -1 3 386.416 0.506 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1c[nH]c(=O)n1C ZINC001574155833 950212114 /nfs/dbraw/zinc/21/21/14/950212114.db2.gz SACQMYWXSQFAKR-GFCCVEGCSA-N -1 3 385.432 0.957 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1c[nH]c(=O)n1C ZINC001574155833 950212128 /nfs/dbraw/zinc/21/21/28/950212128.db2.gz SACQMYWXSQFAKR-GFCCVEGCSA-N -1 3 385.432 0.957 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576191928 950211942 /nfs/dbraw/zinc/21/19/42/950211942.db2.gz KTXHWOMAZDCCRG-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576191928 950211953 /nfs/dbraw/zinc/21/19/53/950211953.db2.gz KTXHWOMAZDCCRG-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnon2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576191874 950214892 /nfs/dbraw/zinc/21/48/92/950214892.db2.gz INNCDWFOWIONGD-MWLCHTKSSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnon2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576191874 950214909 /nfs/dbraw/zinc/21/49/09/950214909.db2.gz INNCDWFOWIONGD-MWLCHTKSSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574739960 950215948 /nfs/dbraw/zinc/21/59/48/950215948.db2.gz AEWCHBQEJFNZIS-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574739960 950215961 /nfs/dbraw/zinc/21/59/61/950215961.db2.gz AEWCHBQEJFNZIS-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001574983429 950218906 /nfs/dbraw/zinc/21/89/06/950218906.db2.gz PDISURDAMQIMPT-IGNZVWTISA-N -1 3 385.428 0.246 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001574983429 950218925 /nfs/dbraw/zinc/21/89/25/950218925.db2.gz PDISURDAMQIMPT-IGNZVWTISA-N -1 3 385.428 0.246 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001574983430 950219524 /nfs/dbraw/zinc/21/95/24/950219524.db2.gz PDISURDAMQIMPT-RZAIGCCYSA-N -1 3 385.428 0.246 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001574983430 950219534 /nfs/dbraw/zinc/21/95/34/950219534.db2.gz PDISURDAMQIMPT-RZAIGCCYSA-N -1 3 385.428 0.246 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001574983533 950224018 /nfs/dbraw/zinc/22/40/18/950224018.db2.gz PDIVLNFPEFSMMX-QWRGUYRKSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001574983533 950224036 /nfs/dbraw/zinc/22/40/36/950224036.db2.gz PDIVLNFPEFSMMX-QWRGUYRKSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)(C)C ZINC001574497306 950227472 /nfs/dbraw/zinc/22/74/72/950227472.db2.gz ZEODXYMPQHIFDN-RYUDHWBXSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)(C)C ZINC001574497306 950227496 /nfs/dbraw/zinc/22/74/96/950227496.db2.gz ZEODXYMPQHIFDN-RYUDHWBXSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574983600 950228711 /nfs/dbraw/zinc/22/87/11/950228711.db2.gz QEKUPSFEEDVVJK-MNOVXSKESA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574983600 950228728 /nfs/dbraw/zinc/22/87/28/950228728.db2.gz QEKUPSFEEDVVJK-MNOVXSKESA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574740732 950230709 /nfs/dbraw/zinc/23/07/09/950230709.db2.gz FQFMMLXCWOZNFX-MXWKQRLJSA-N -1 3 390.423 0.561 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574740732 950230727 /nfs/dbraw/zinc/23/07/27/950230727.db2.gz FQFMMLXCWOZNFX-MXWKQRLJSA-N -1 3 390.423 0.561 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575587304 950232653 /nfs/dbraw/zinc/23/26/53/950232653.db2.gz NKHVWRNQSXNGAX-KZULUSFZSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575587304 950232669 /nfs/dbraw/zinc/23/26/69/950232669.db2.gz NKHVWRNQSXNGAX-KZULUSFZSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)n1ccnc1 ZINC001574497660 950233319 /nfs/dbraw/zinc/23/33/19/950233319.db2.gz ARICIMQKBOVZNJ-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)n1ccnc1 ZINC001574497660 950233339 /nfs/dbraw/zinc/23/33/39/950233339.db2.gz ARICIMQKBOVZNJ-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573845744 950234388 /nfs/dbraw/zinc/23/43/88/950234388.db2.gz KKFASLMHILBVTA-WCFLWFBJSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573845744 950234412 /nfs/dbraw/zinc/23/44/12/950234412.db2.gz KKFASLMHILBVTA-WCFLWFBJSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1ccnc1 ZINC001574497731 950235160 /nfs/dbraw/zinc/23/51/60/950235160.db2.gz BVEPHUNUTCHHDL-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1ccnc1 ZINC001574497731 950235178 /nfs/dbraw/zinc/23/51/78/950235178.db2.gz BVEPHUNUTCHHDL-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1(C)CCOCC1 ZINC001574741262 950237700 /nfs/dbraw/zinc/23/77/00/950237700.db2.gz IUGOSGBIENODQK-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1(C)CCOCC1 ZINC001574741262 950237713 /nfs/dbraw/zinc/23/77/13/950237713.db2.gz IUGOSGBIENODQK-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2c([nH]1)CCC2 ZINC001574741350 950238939 /nfs/dbraw/zinc/23/89/39/950238939.db2.gz AEBDKGGGRNBCGG-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2c([nH]1)CCC2 ZINC001574741350 950238964 /nfs/dbraw/zinc/23/89/64/950238964.db2.gz AEBDKGGGRNBCGG-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573845776 950240405 /nfs/dbraw/zinc/24/04/05/950240405.db2.gz LMOPTGNEBSDTQY-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573845776 950240424 /nfs/dbraw/zinc/24/04/24/950240424.db2.gz LMOPTGNEBSDTQY-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCOC1 ZINC001574741443 950242714 /nfs/dbraw/zinc/24/27/14/950242714.db2.gz BILNVTMQVRQLSK-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCOC1 ZINC001574741443 950242735 /nfs/dbraw/zinc/24/27/35/950242735.db2.gz BILNVTMQVRQLSK-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576192421 950242853 /nfs/dbraw/zinc/24/28/53/950242853.db2.gz NYAKBIXRYXUUHR-GWCFXTLKSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576192421 950242868 /nfs/dbraw/zinc/24/28/68/950242868.db2.gz NYAKBIXRYXUUHR-GWCFXTLKSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576192450 950247928 /nfs/dbraw/zinc/24/79/28/950247928.db2.gz NEGWTIQUZOFIIK-PWSUYJOCSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576192450 950247944 /nfs/dbraw/zinc/24/79/44/950247944.db2.gz NEGWTIQUZOFIIK-PWSUYJOCSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576192448 950248304 /nfs/dbraw/zinc/24/83/04/950248304.db2.gz NEGWTIQUZOFIIK-JQWIXIFHSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576192448 950248320 /nfs/dbraw/zinc/24/83/20/950248320.db2.gz NEGWTIQUZOFIIK-JQWIXIFHSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1cccnc1 ZINC001574741580 950250923 /nfs/dbraw/zinc/25/09/23/950250923.db2.gz JLANOWBBKZHPFN-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1cccnc1 ZINC001574741580 950250941 /nfs/dbraw/zinc/25/09/41/950250941.db2.gz JLANOWBBKZHPFN-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001574497948 950251654 /nfs/dbraw/zinc/25/16/54/950251654.db2.gz GYMRAXXWLMXCIE-FZMZJTMJSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001574497948 950251675 /nfs/dbraw/zinc/25/16/75/950251675.db2.gz GYMRAXXWLMXCIE-FZMZJTMJSA-N -1 3 385.432 0.078 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001575588680 950252014 /nfs/dbraw/zinc/25/20/14/950252014.db2.gz QZGSIPRKUVIAAF-LBPRGKRZSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001575588680 950252027 /nfs/dbraw/zinc/25/20/27/950252027.db2.gz QZGSIPRKUVIAAF-LBPRGKRZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnsn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575902299 950255014 /nfs/dbraw/zinc/25/50/14/950255014.db2.gz ULQLOTLOUJSTLY-IUCAKERBSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnsn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575902299 950255033 /nfs/dbraw/zinc/25/50/33/950255033.db2.gz ULQLOTLOUJSTLY-IUCAKERBSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575902413 950255067 /nfs/dbraw/zinc/25/50/67/950255067.db2.gz UPBOAZNSIAFUIY-CMPLNLGQSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575902413 950255085 /nfs/dbraw/zinc/25/50/85/950255085.db2.gz UPBOAZNSIAFUIY-CMPLNLGQSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574741842 950256756 /nfs/dbraw/zinc/25/67/56/950256756.db2.gz DXMMIMKFHHKKRC-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574741842 950256777 /nfs/dbraw/zinc/25/67/77/950256777.db2.gz DXMMIMKFHHKKRC-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001574984100 950258218 /nfs/dbraw/zinc/25/82/18/950258218.db2.gz WSNGPGWSLQJDQQ-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001574984100 950258241 /nfs/dbraw/zinc/25/82/41/950258241.db2.gz WSNGPGWSLQJDQQ-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ncccn1)C1CC1 ZINC001574984069 950258598 /nfs/dbraw/zinc/25/85/98/950258598.db2.gz WFIOHKNWLLJBGU-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ncccn1)C1CC1 ZINC001574984069 950258618 /nfs/dbraw/zinc/25/86/18/950258618.db2.gz WFIOHKNWLLJBGU-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576192721 950260992 /nfs/dbraw/zinc/26/09/92/950260992.db2.gz QGYYKDKIRDLMJH-OLZOCXBDSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576192721 950261010 /nfs/dbraw/zinc/26/10/10/950261010.db2.gz QGYYKDKIRDLMJH-OLZOCXBDSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001574984130 950262607 /nfs/dbraw/zinc/26/26/07/950262607.db2.gz XFRVTPDVQHOMFH-SNVBAGLBSA-N -1 3 385.432 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574742086 950263478 /nfs/dbraw/zinc/26/34/78/950263478.db2.gz LEIIFOQIGXCFSH-QNSHHTMESA-N -1 3 378.824 0.295 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574742086 950263500 /nfs/dbraw/zinc/26/35/00/950263500.db2.gz LEIIFOQIGXCFSH-QNSHHTMESA-N -1 3 378.824 0.295 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001575589257 950263688 /nfs/dbraw/zinc/26/36/88/950263688.db2.gz VXAOLRCBWYQPHF-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001575589257 950263707 /nfs/dbraw/zinc/26/37/07/950263707.db2.gz VXAOLRCBWYQPHF-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576192722 950263842 /nfs/dbraw/zinc/26/38/42/950263842.db2.gz QGYYKDKIRDLMJH-QWHCGFSZSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576192722 950263860 /nfs/dbraw/zinc/26/38/60/950263860.db2.gz QGYYKDKIRDLMJH-QWHCGFSZSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCCO1 ZINC001574742057 950265461 /nfs/dbraw/zinc/26/54/61/950265461.db2.gz HAJASGBLRCGPJD-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCCO1 ZINC001574742057 950265480 /nfs/dbraw/zinc/26/54/80/950265480.db2.gz HAJASGBLRCGPJD-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575589766 950267369 /nfs/dbraw/zinc/26/73/69/950267369.db2.gz YHKVITSNRQHOLH-GFCCVEGCSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575589766 950267390 /nfs/dbraw/zinc/26/73/90/950267390.db2.gz YHKVITSNRQHOLH-GFCCVEGCSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1CCC(O)CC1 ZINC001574742124 950267799 /nfs/dbraw/zinc/26/77/99/950267799.db2.gz LVMZHNPSYWEFGR-XSRFYTQQSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1CCC(O)CC1 ZINC001574742124 950267825 /nfs/dbraw/zinc/26/78/25/950267825.db2.gz LVMZHNPSYWEFGR-XSRFYTQQSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573850235 950270537 /nfs/dbraw/zinc/27/05/37/950270537.db2.gz HPYLUKYPDKSREP-UHFFFAOYSA-N -1 3 389.464 0.050 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573850235 950270560 /nfs/dbraw/zinc/27/05/60/950270560.db2.gz HPYLUKYPDKSREP-UHFFFAOYSA-N -1 3 389.464 0.050 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575589967 950270796 /nfs/dbraw/zinc/27/07/96/950270796.db2.gz ZLBBLBZKTQMJOA-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575589967 950270818 /nfs/dbraw/zinc/27/08/18/950270818.db2.gz ZLBBLBZKTQMJOA-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575589964 950272071 /nfs/dbraw/zinc/27/20/71/950272071.db2.gz ZLBBLBZKTQMJOA-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575589964 950272089 /nfs/dbraw/zinc/27/20/89/950272089.db2.gz ZLBBLBZKTQMJOA-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cccn1 ZINC001574498451 950275010 /nfs/dbraw/zinc/27/50/10/950275010.db2.gz NPNLNJLBTUAFIQ-NEPJUHHUSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cccn1 ZINC001574498451 950275022 /nfs/dbraw/zinc/27/50/22/950275022.db2.gz NPNLNJLBTUAFIQ-NEPJUHHUSA-N -1 3 388.407 0.743 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573850866 950278165 /nfs/dbraw/zinc/27/81/65/950278165.db2.gz NAYWNFUPXRVLEK-GFCCVEGCSA-N -1 3 389.464 0.097 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001574987210 950280340 /nfs/dbraw/zinc/28/03/40/950280340.db2.gz ALJZPBNOLHAQQR-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001574987210 950280358 /nfs/dbraw/zinc/28/03/58/950280358.db2.gz ALJZPBNOLHAQQR-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NCc1ccco1 ZINC001574987215 950281243 /nfs/dbraw/zinc/28/12/43/950281243.db2.gz ANRSNQDXYZPHMW-LLVKDONJSA-N -1 3 386.416 0.154 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NCc1ccco1 ZINC001574987215 950281275 /nfs/dbraw/zinc/28/12/75/950281275.db2.gz ANRSNQDXYZPHMW-LLVKDONJSA-N -1 3 386.416 0.154 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1 ZINC001573850926 950284745 /nfs/dbraw/zinc/28/47/45/950284745.db2.gz PSDXDIWFNKLEEP-UHFFFAOYSA-N -1 3 391.457 0.796 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1 ZINC001573850926 950284758 /nfs/dbraw/zinc/28/47/58/950284758.db2.gz PSDXDIWFNKLEEP-UHFFFAOYSA-N -1 3 391.457 0.796 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1ccn(C)n1 ZINC001574742350 950285392 /nfs/dbraw/zinc/28/53/92/950285392.db2.gz KDYVLYDRGYIHDG-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1ccn(C)n1 ZINC001574742350 950285418 /nfs/dbraw/zinc/28/54/18/950285418.db2.gz KDYVLYDRGYIHDG-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COc1cccnc1 ZINC001574987398 950285630 /nfs/dbraw/zinc/28/56/30/950285630.db2.gz CANYAYAHRCVNKF-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COc1cccnc1 ZINC001574987398 950285650 /nfs/dbraw/zinc/28/56/50/950285650.db2.gz CANYAYAHRCVNKF-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574498917 950290848 /nfs/dbraw/zinc/29/08/48/950290848.db2.gz RMPBMPCDRKEYRH-BXUZGUMPSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574498917 950290864 /nfs/dbraw/zinc/29/08/64/950290864.db2.gz RMPBMPCDRKEYRH-BXUZGUMPSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCCO2)CCOC1 ZINC001575592588 950292405 /nfs/dbraw/zinc/29/24/05/950292405.db2.gz CDDOXIYXWZVFHR-KDOFPFPSSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCCO2)CCOC1 ZINC001575592588 950292432 /nfs/dbraw/zinc/29/24/32/950292432.db2.gz CDDOXIYXWZVFHR-KDOFPFPSSA-N -1 3 387.444 0.400 20 0 GCADHM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001573851406 950293374 /nfs/dbraw/zinc/29/33/74/950293374.db2.gz XREPFYGRMRQGEM-SJKOYZFVSA-N -1 3 377.401 0.109 20 0 GCADHM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001573851406 950293391 /nfs/dbraw/zinc/29/33/91/950293391.db2.gz XREPFYGRMRQGEM-SJKOYZFVSA-N -1 3 377.401 0.109 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cnn(C)c1Cl ZINC001574987439 950293818 /nfs/dbraw/zinc/29/38/18/950293818.db2.gz DFBSMXDJHSAZCA-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cnn(C)c1Cl ZINC001574987439 950293835 /nfs/dbraw/zinc/29/38/35/950293835.db2.gz DFBSMXDJHSAZCA-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2nnccc2-c2nnn[n-]2)C1 ZINC001573852066 950299031 /nfs/dbraw/zinc/29/90/31/950299031.db2.gz CBNOBNMKTUFXCL-LBPRGKRZSA-N -1 3 390.448 0.855 20 0 GCADHM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2nnccc2-c2nn[n-]n2)C1 ZINC001573852066 950299050 /nfs/dbraw/zinc/29/90/50/950299050.db2.gz CBNOBNMKTUFXCL-LBPRGKRZSA-N -1 3 390.448 0.855 20 0 GCADHM C[C@@H](CC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574499723 950301568 /nfs/dbraw/zinc/30/15/68/950301568.db2.gz WJXWMFQOVISEOA-HIFPTAJRSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574499723 950301589 /nfs/dbraw/zinc/30/15/89/950301589.db2.gz WJXWMFQOVISEOA-HIFPTAJRSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576193617 950305013 /nfs/dbraw/zinc/30/50/13/950305013.db2.gz UVPZZDMBQVSRTL-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576193617 950305039 /nfs/dbraw/zinc/30/50/39/950305039.db2.gz UVPZZDMBQVSRTL-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)[C@H](O)C1 ZINC001573852357 950305594 /nfs/dbraw/zinc/30/55/94/950305594.db2.gz FZJZLYURXNHEAH-DGCLKSJQSA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)[C@H](O)C1 ZINC001573852357 950305621 /nfs/dbraw/zinc/30/56/21/950305621.db2.gz FZJZLYURXNHEAH-DGCLKSJQSA-N -1 3 389.416 0.362 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCCC[C@H]1C ZINC001574987988 950307903 /nfs/dbraw/zinc/30/79/03/950307903.db2.gz KCTUTOQETXCOPV-OLZOCXBDSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)N1CCCC[C@H]1C ZINC001574987988 950307915 /nfs/dbraw/zinc/30/79/15/950307915.db2.gz KCTUTOQETXCOPV-OLZOCXBDSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@@H]1CCCOC1 ZINC001574988025 950310984 /nfs/dbraw/zinc/31/09/84/950310984.db2.gz KZNNNTZQJBFNQW-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@@H]1CCCOC1 ZINC001574988025 950311006 /nfs/dbraw/zinc/31/10/06/950311006.db2.gz KZNNNTZQJBFNQW-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574500391 950315738 /nfs/dbraw/zinc/31/57/38/950315738.db2.gz ZZENVOKIYCNHKF-IUODEOHRSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574500391 950315761 /nfs/dbraw/zinc/31/57/61/950315761.db2.gz ZZENVOKIYCNHKF-IUODEOHRSA-N -1 3 382.428 0.740 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC001575593496 950316780 /nfs/dbraw/zinc/31/67/80/950316780.db2.gz GKTFTBVDCPHHHD-CQSZACIVSA-N -1 3 387.444 0.400 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC001575593496 950316802 /nfs/dbraw/zinc/31/68/02/950316802.db2.gz GKTFTBVDCPHHHD-CQSZACIVSA-N -1 3 387.444 0.400 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC001575593495 950316841 /nfs/dbraw/zinc/31/68/41/950316841.db2.gz GKTFTBVDCPHHHD-AWEZNQCLSA-N -1 3 387.444 0.400 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC001575593495 950316859 /nfs/dbraw/zinc/31/68/59/950316859.db2.gz GKTFTBVDCPHHHD-AWEZNQCLSA-N -1 3 387.444 0.400 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574988180 950321270 /nfs/dbraw/zinc/32/12/70/950321270.db2.gz NUGDWDZHBGZFKL-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574988180 950321292 /nfs/dbraw/zinc/32/12/92/950321292.db2.gz NUGDWDZHBGZFKL-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001574743421 950321936 /nfs/dbraw/zinc/32/19/36/950321936.db2.gz SPKVEKVIKVWBHQ-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001574743421 950321958 /nfs/dbraw/zinc/32/19/58/950321958.db2.gz SPKVEKVIKVWBHQ-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC1CCOCC1 ZINC001574988206 950325515 /nfs/dbraw/zinc/32/55/15/950325515.db2.gz ONFNVGWNHWQKSJ-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC1CCOCC1 ZINC001574988206 950325538 /nfs/dbraw/zinc/32/55/38/950325538.db2.gz ONFNVGWNHWQKSJ-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001574743391 950325668 /nfs/dbraw/zinc/32/56/68/950325668.db2.gz SHMQNZIEIGVNBW-JTQLQIEISA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001574743391 950325687 /nfs/dbraw/zinc/32/56/87/950325687.db2.gz SHMQNZIEIGVNBW-JTQLQIEISA-N -1 3 386.420 0.258 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)CCC1 ZINC001575594459 950330646 /nfs/dbraw/zinc/33/06/46/950330646.db2.gz KAEIAXAWISJVRB-GFCCVEGCSA-N -1 3 375.408 0.912 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)CCC1 ZINC001575594459 950330667 /nfs/dbraw/zinc/33/06/67/950330667.db2.gz KAEIAXAWISJVRB-GFCCVEGCSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574743680 950331649 /nfs/dbraw/zinc/33/16/49/950331649.db2.gz VMGWMWMDZXGULV-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574743680 950331668 /nfs/dbraw/zinc/33/16/68/950331668.db2.gz VMGWMWMDZXGULV-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NCCC(C)(C)C ZINC001574988291 950332293 /nfs/dbraw/zinc/33/22/93/950332293.db2.gz QFWVVZKMETZZGJ-GFCCVEGCSA-N -1 3 390.492 0.797 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NCCC(C)(C)C ZINC001574988291 950332315 /nfs/dbraw/zinc/33/23/15/950332315.db2.gz QFWVVZKMETZZGJ-GFCCVEGCSA-N -1 3 390.492 0.797 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574743690 950332869 /nfs/dbraw/zinc/33/28/69/950332869.db2.gz VMGWMWMDZXGULV-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574743690 950332889 /nfs/dbraw/zinc/33/28/89/950332889.db2.gz VMGWMWMDZXGULV-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCC1CCOCC1 ZINC001574988406 950335098 /nfs/dbraw/zinc/33/50/98/950335098.db2.gz QWPQUVZUGGVWAR-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCC1CCOCC1 ZINC001574988406 950335120 /nfs/dbraw/zinc/33/51/20/950335120.db2.gz QWPQUVZUGGVWAR-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)CCCOC1 ZINC001575594610 950336267 /nfs/dbraw/zinc/33/62/67/950336267.db2.gz KYFZYRWPVWRDIH-KBXCAEBGSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)CCCOC1 ZINC001575594610 950336291 /nfs/dbraw/zinc/33/62/91/950336291.db2.gz KYFZYRWPVWRDIH-KBXCAEBGSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574501625 950336250 /nfs/dbraw/zinc/33/62/50/950336250.db2.gz FLCYTLNGUVPRKZ-ABAIWWIYSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574501625 950336268 /nfs/dbraw/zinc/33/62/68/950336268.db2.gz FLCYTLNGUVPRKZ-ABAIWWIYSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1cnnn1 ZINC001574160323 950338194 /nfs/dbraw/zinc/33/81/94/950338194.db2.gz NEQVQILNSQURLD-GFCCVEGCSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1cnnn1 ZINC001574160323 950338215 /nfs/dbraw/zinc/33/82/15/950338215.db2.gz NEQVQILNSQURLD-GFCCVEGCSA-N -1 3 385.436 0.281 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576194364 950341710 /nfs/dbraw/zinc/34/17/10/950341710.db2.gz ZMEMOPKEAYKFRZ-OCCSQVGLSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576194364 950341732 /nfs/dbraw/zinc/34/17/32/950341732.db2.gz ZMEMOPKEAYKFRZ-OCCSQVGLSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001574988682 950342675 /nfs/dbraw/zinc/34/26/75/950342675.db2.gz UIKXKHHTNDHETG-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001574988682 950342692 /nfs/dbraw/zinc/34/26/92/950342692.db2.gz UIKXKHHTNDHETG-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCOCC1 ZINC001574744144 950342849 /nfs/dbraw/zinc/34/28/49/950342849.db2.gz XHNUAHZBDSCADJ-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCOCC1 ZINC001574744144 950342873 /nfs/dbraw/zinc/34/28/73/950342873.db2.gz XHNUAHZBDSCADJ-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H]1CC(C)(C)CO1 ZINC001574988755 950344446 /nfs/dbraw/zinc/34/44/46/950344446.db2.gz UOQQGQQTYMJSJU-YPMHNXCESA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H]1CC(C)(C)CO1 ZINC001574988755 950344470 /nfs/dbraw/zinc/34/44/70/950344470.db2.gz UOQQGQQTYMJSJU-YPMHNXCESA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CC(=O)NCC1CCN(c2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574501857 950349430 /nfs/dbraw/zinc/34/94/30/950349430.db2.gz GZIWHEQBOOBOEI-LLVKDONJSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NCC1CCN(c2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574501857 950349445 /nfs/dbraw/zinc/34/94/45/950349445.db2.gz GZIWHEQBOOBOEI-LLVKDONJSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C1(F)CCOCC1 ZINC001574988848 950350849 /nfs/dbraw/zinc/35/08/49/950350849.db2.gz WABXEKWOJMMSBD-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C1(F)CCOCC1 ZINC001574988848 950350871 /nfs/dbraw/zinc/35/08/71/950350871.db2.gz WABXEKWOJMMSBD-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574989109 950357156 /nfs/dbraw/zinc/35/71/56/950357156.db2.gz XWJYVWXUJQFGCO-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574989109 950357175 /nfs/dbraw/zinc/35/71/75/950357175.db2.gz XWJYVWXUJQFGCO-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574502111 950357304 /nfs/dbraw/zinc/35/73/04/950357304.db2.gz JDJLKRYGLBVUES-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574502111 950357324 /nfs/dbraw/zinc/35/73/24/950357324.db2.gz JDJLKRYGLBVUES-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCCn1ccnc1 ZINC001574989053 950357492 /nfs/dbraw/zinc/35/74/92/950357492.db2.gz XMSJYIGJUKNNBU-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCCn1ccnc1 ZINC001574989053 950357513 /nfs/dbraw/zinc/35/75/13/950357513.db2.gz XMSJYIGJUKNNBU-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574161464 950359654 /nfs/dbraw/zinc/35/96/54/950359654.db2.gz UWRAMUARVIZMLQ-DZGCQCFKSA-N -1 3 388.476 0.535 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574161464 950359675 /nfs/dbraw/zinc/35/96/75/950359675.db2.gz UWRAMUARVIZMLQ-DZGCQCFKSA-N -1 3 388.476 0.535 20 0 GCADHM C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001576196636 950364559 /nfs/dbraw/zinc/36/45/59/950364559.db2.gz FLTGBZJBOZIUFU-KBPBESRZSA-N -1 3 385.476 0.069 20 0 GCADHM C[C@@H](CC(=O)NCC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574502219 950366391 /nfs/dbraw/zinc/36/63/91/950366391.db2.gz KOJVGXLIJUBGJR-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NCC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574502219 950366410 /nfs/dbraw/zinc/36/64/10/950366410.db2.gz KOJVGXLIJUBGJR-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1=O ZINC001573855345 950367879 /nfs/dbraw/zinc/36/78/79/950367879.db2.gz REMFIEDFZQLTIK-GXTWGEPZSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1=O ZINC001573855345 950367898 /nfs/dbraw/zinc/36/78/98/950367898.db2.gz REMFIEDFZQLTIK-GXTWGEPZSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574502296 950369414 /nfs/dbraw/zinc/36/94/14/950369414.db2.gz LMYTUHYAQDSIFT-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574502296 950369430 /nfs/dbraw/zinc/36/94/30/950369430.db2.gz LMYTUHYAQDSIFT-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001573855428 950371706 /nfs/dbraw/zinc/37/17/06/950371706.db2.gz ULXOQPUBZYLNHP-AWEZNQCLSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574502371 950373039 /nfs/dbraw/zinc/37/30/39/950373039.db2.gz MMPNDBZWSINQEU-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574502371 950373055 /nfs/dbraw/zinc/37/30/55/950373055.db2.gz MMPNDBZWSINQEU-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575908702 950373737 /nfs/dbraw/zinc/37/37/37/950373737.db2.gz DHFZPCJLWMLSJX-RISCZKNCSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575908702 950373753 /nfs/dbraw/zinc/37/37/53/950373753.db2.gz DHFZPCJLWMLSJX-RISCZKNCSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nc(C(F)F)no1 ZINC001574745150 950374750 /nfs/dbraw/zinc/37/47/50/950374750.db2.gz FXDQBTMAWYCADX-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nc(C(F)F)no1 ZINC001574745150 950374773 /nfs/dbraw/zinc/37/47/73/950374773.db2.gz FXDQBTMAWYCADX-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)c1nccnc1N ZINC001574162492 950383442 /nfs/dbraw/zinc/38/34/42/950383442.db2.gz BQBBZSNVRKFMSJ-NSHDSACASA-N -1 3 382.432 0.891 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)c1nccnc1N ZINC001574162492 950383465 /nfs/dbraw/zinc/38/34/65/950383465.db2.gz BQBBZSNVRKFMSJ-NSHDSACASA-N -1 3 382.432 0.891 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)c1nccnc1N ZINC001574162491 950385431 /nfs/dbraw/zinc/38/54/31/950385431.db2.gz BQBBZSNVRKFMSJ-LLVKDONJSA-N -1 3 382.432 0.891 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)c1nccnc1N ZINC001574162491 950385449 /nfs/dbraw/zinc/38/54/49/950385449.db2.gz BQBBZSNVRKFMSJ-LLVKDONJSA-N -1 3 382.432 0.891 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3ncccc3-c3nnn[n-]3)CCCO2)CCOC1 ZINC001575596884 950387162 /nfs/dbraw/zinc/38/71/62/950387162.db2.gz VVDZBBPVSJDLQM-UGSOOPFHSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3ncccc3-c3nn[n-]n3)CCCO2)CCOC1 ZINC001575596884 950387183 /nfs/dbraw/zinc/38/71/83/950387183.db2.gz VVDZBBPVSJDLQM-UGSOOPFHSA-N -1 3 387.444 0.400 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(c2nnccc2-c2nnn[n-]2)C[C@H]1CCO ZINC001573856573 950388154 /nfs/dbraw/zinc/38/81/54/950388154.db2.gz DLXNJRXKBZTOAM-LLVKDONJSA-N -1 3 376.421 0.465 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(c2nnccc2-c2nn[n-]n2)C[C@H]1CCO ZINC001573856573 950388173 /nfs/dbraw/zinc/38/81/73/950388173.db2.gz DLXNJRXKBZTOAM-LLVKDONJSA-N -1 3 376.421 0.465 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909043 950388428 /nfs/dbraw/zinc/38/84/28/950388428.db2.gz FNUZGHIYQHDLPL-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909043 950388449 /nfs/dbraw/zinc/38/84/49/950388449.db2.gz FNUZGHIYQHDLPL-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574162562 950388916 /nfs/dbraw/zinc/38/89/16/950388916.db2.gz DCWHDFREWLJYHP-GXTWGEPZSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574162562 950388932 /nfs/dbraw/zinc/38/89/32/950388932.db2.gz DCWHDFREWLJYHP-GXTWGEPZSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCc3cncc(-c4nnn[n-]4)c3)[C@H]2C1 ZINC001573856603 950389228 /nfs/dbraw/zinc/38/92/28/950389228.db2.gz FNQKXYHDZSVHLL-WDNDVIMCSA-N -1 3 385.428 0.991 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCc3cncc(-c4nn[n-]n4)c3)[C@H]2C1 ZINC001573856603 950389247 /nfs/dbraw/zinc/38/92/47/950389247.db2.gz FNQKXYHDZSVHLL-WDNDVIMCSA-N -1 3 385.428 0.991 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001573856688 950389981 /nfs/dbraw/zinc/38/99/81/950389981.db2.gz GHSBMZNDHSKYSS-CYBMUJFWSA-N -1 3 389.416 0.946 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574991201 950394451 /nfs/dbraw/zinc/39/44/51/950394451.db2.gz IOUBEELDKWTSAG-QWRGUYRKSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574991201 950394474 /nfs/dbraw/zinc/39/44/74/950394474.db2.gz IOUBEELDKWTSAG-QWRGUYRKSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574502886 950395163 /nfs/dbraw/zinc/39/51/63/950395163.db2.gz RNTGFPVWUBMXDF-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574502886 950395186 /nfs/dbraw/zinc/39/51/86/950395186.db2.gz RNTGFPVWUBMXDF-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573856754 950396727 /nfs/dbraw/zinc/39/67/27/950396727.db2.gz HTLJHCALZMJHJX-SNVBAGLBSA-N -1 3 386.376 0.743 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575597099 950397983 /nfs/dbraw/zinc/39/79/83/950397983.db2.gz LSASTKFNSJQHPG-SRBZOADZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575597099 950398003 /nfs/dbraw/zinc/39/80/03/950398003.db2.gz LSASTKFNSJQHPG-SRBZOADZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1(C2CC2)CCOCC1 ZINC001574991329 950399909 /nfs/dbraw/zinc/39/99/09/950399909.db2.gz KFANYJWXKHYMCC-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1(C2CC2)CCOCC1 ZINC001574991329 950399927 /nfs/dbraw/zinc/39/99/27/950399927.db2.gz KFANYJWXKHYMCC-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nsc(N(C)C)n1 ZINC001574991384 950400098 /nfs/dbraw/zinc/40/00/98/950400098.db2.gz KWFWINJHVHDTMF-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nsc(N(C)C)n1 ZINC001574991384 950400115 /nfs/dbraw/zinc/40/01/15/950400115.db2.gz KWFWINJHVHDTMF-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574991448 950401875 /nfs/dbraw/zinc/40/18/75/950401875.db2.gz LTRMXMWHGJSEIQ-LKFCYVNXSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574991448 950401885 /nfs/dbraw/zinc/40/18/85/950401885.db2.gz LTRMXMWHGJSEIQ-LKFCYVNXSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574503267 950404079 /nfs/dbraw/zinc/40/40/79/950404079.db2.gz UCWJNOHRMJLZGV-GWCFXTLKSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574503267 950404094 /nfs/dbraw/zinc/40/40/94/950404094.db2.gz UCWJNOHRMJLZGV-GWCFXTLKSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574503632 950415123 /nfs/dbraw/zinc/41/51/23/950415123.db2.gz YDHWLJAGAYRYOX-IAQYHMDHSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574503632 950415133 /nfs/dbraw/zinc/41/51/33/950415133.db2.gz YDHWLJAGAYRYOX-IAQYHMDHSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574503624 950415810 /nfs/dbraw/zinc/41/58/10/950415810.db2.gz XWMCLWBJKNHSJE-DTWKUNHWSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574503624 950415820 /nfs/dbraw/zinc/41/58/20/950415820.db2.gz XWMCLWBJKNHSJE-DTWKUNHWSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574747837 950416285 /nfs/dbraw/zinc/41/62/85/950416285.db2.gz YRNGMSRNGKCHRG-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncc(F)cc1F ZINC001574747837 950416294 /nfs/dbraw/zinc/41/62/94/950416294.db2.gz YRNGMSRNGKCHRG-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575597857 950420143 /nfs/dbraw/zinc/42/01/43/950420143.db2.gz XWXIPFSQMZRALD-SEDUGSJDSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575597857 950420157 /nfs/dbraw/zinc/42/01/57/950420157.db2.gz XWXIPFSQMZRALD-SEDUGSJDSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1ncnn1C(C)(C)C ZINC001574747839 950421664 /nfs/dbraw/zinc/42/16/64/950421664.db2.gz YTNMJJDUHFKVCQ-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1ncnn1C(C)(C)C ZINC001574747839 950421680 /nfs/dbraw/zinc/42/16/80/950421680.db2.gz YTNMJJDUHFKVCQ-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575597864 950422874 /nfs/dbraw/zinc/42/28/74/950422874.db2.gz YHGVDVCZRRRNMJ-FTLABTOESA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575597864 950422878 /nfs/dbraw/zinc/42/28/78/950422878.db2.gz YHGVDVCZRRRNMJ-FTLABTOESA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCn1ccnc1 ZINC001574750447 950426798 /nfs/dbraw/zinc/42/67/98/950426798.db2.gz APWDISUSVQUAAV-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCn1ccnc1 ZINC001574750447 950426809 /nfs/dbraw/zinc/42/68/09/950426809.db2.gz APWDISUSVQUAAV-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574506138 950427553 /nfs/dbraw/zinc/42/75/53/950427553.db2.gz BQFRTICOQIUXDT-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574506138 950427564 /nfs/dbraw/zinc/42/75/64/950427564.db2.gz BQFRTICOQIUXDT-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573860656 950427933 /nfs/dbraw/zinc/42/79/33/950427933.db2.gz LCXYEZXRBUFMFL-LBPRGKRZSA-N -1 3 380.380 0.508 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573860656 950427947 /nfs/dbraw/zinc/42/79/47/950427947.db2.gz LCXYEZXRBUFMFL-LBPRGKRZSA-N -1 3 380.380 0.508 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCOc1ccccc1 ZINC001574992043 950430256 /nfs/dbraw/zinc/43/02/56/950430256.db2.gz VUDJYDPMGOOMLB-LBPRGKRZSA-N -1 3 383.412 0.898 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCOc1ccccc1 ZINC001574992043 950430265 /nfs/dbraw/zinc/43/02/65/950430265.db2.gz VUDJYDPMGOOMLB-LBPRGKRZSA-N -1 3 383.412 0.898 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)CCNC1=O ZINC001575599443 950430624 /nfs/dbraw/zinc/43/06/24/950430624.db2.gz JFAALOCPMIMXBN-ACJLOTCBSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CCNC(=O)C1 ZINC001575599496 950432946 /nfs/dbraw/zinc/43/29/46/950432946.db2.gz KYILPMANPKKOBA-GOSISDBHSA-N -1 3 380.412 0.789 20 0 GCADHM C[C@@]1(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CCNC(=O)C1 ZINC001575599496 950432957 /nfs/dbraw/zinc/43/29/57/950432957.db2.gz KYILPMANPKKOBA-GOSISDBHSA-N -1 3 380.412 0.789 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCO2)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574750644 950434119 /nfs/dbraw/zinc/43/41/19/950434119.db2.gz DZHSCOVRGWAEQN-VIFPVBQESA-N -1 3 387.379 0.562 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCO2)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574750644 950434129 /nfs/dbraw/zinc/43/41/29/950434129.db2.gz DZHSCOVRGWAEQN-VIFPVBQESA-N -1 3 387.379 0.562 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575911188 950438889 /nfs/dbraw/zinc/43/88/89/950438889.db2.gz NFEOQRFZXKAQLW-GXTWGEPZSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575911188 950438900 /nfs/dbraw/zinc/43/89/00/950438900.db2.gz NFEOQRFZXKAQLW-GXTWGEPZSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575911190 950439996 /nfs/dbraw/zinc/43/99/96/950439996.db2.gz NFEOQRFZXKAQLW-OCCSQVGLSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575911190 950440017 /nfs/dbraw/zinc/44/00/17/950440017.db2.gz NFEOQRFZXKAQLW-OCCSQVGLSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911226 950444301 /nfs/dbraw/zinc/44/43/01/950444301.db2.gz NVSXTPQGTFNEMZ-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911226 950444317 /nfs/dbraw/zinc/44/43/17/950444317.db2.gz NVSXTPQGTFNEMZ-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001574506837 950445671 /nfs/dbraw/zinc/44/56/71/950445671.db2.gz GVHPBISMCCXRLB-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001574506837 950445687 /nfs/dbraw/zinc/44/56/87/950445687.db2.gz GVHPBISMCCXRLB-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)n2ncc(-c3nnn[n-]3)c2N)C1 ZINC001573861326 950446841 /nfs/dbraw/zinc/44/68/41/950446841.db2.gz YOXMEWSDDSGHLN-ABKXIKBNSA-N -1 3 392.420 0.748 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@@H]2O)CCOC1 ZINC001575604946 950447939 /nfs/dbraw/zinc/44/79/39/950447939.db2.gz HCJHVTKXOOOKNA-ZUCKAHLUSA-N -1 3 376.392 0.098 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@@H]2O)CCOC1 ZINC001575604946 950447950 /nfs/dbraw/zinc/44/79/50/950447950.db2.gz HCJHVTKXOOOKNA-ZUCKAHLUSA-N -1 3 376.392 0.098 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N ZINC001573861352 950450516 /nfs/dbraw/zinc/45/05/16/950450516.db2.gz ZWEDNZDOBKYDOL-VIFPVBQESA-N -1 3 381.368 0.412 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N ZINC001573861352 950450531 /nfs/dbraw/zinc/45/05/31/950450531.db2.gz ZWEDNZDOBKYDOL-VIFPVBQESA-N -1 3 381.368 0.412 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574165859 950453394 /nfs/dbraw/zinc/45/33/94/950453394.db2.gz KVFJAVKFIKMBCF-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574165859 950453409 /nfs/dbraw/zinc/45/34/09/950453409.db2.gz KVFJAVKFIKMBCF-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575604987 950454216 /nfs/dbraw/zinc/45/42/16/950454216.db2.gz JMBQYLZRDJWNTG-LSIMKLPESA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575604987 950454227 /nfs/dbraw/zinc/45/42/27/950454227.db2.gz JMBQYLZRDJWNTG-LSIMKLPESA-N -1 3 385.428 0.483 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574165849 950455554 /nfs/dbraw/zinc/45/55/54/950455554.db2.gz KLLUVQQWHXNVCA-CYBMUJFWSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574165849 950455574 /nfs/dbraw/zinc/45/55/74/950455574.db2.gz KLLUVQQWHXNVCA-CYBMUJFWSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574507431 950455445 /nfs/dbraw/zinc/45/54/45/950455445.db2.gz IVZWXTBBDKUXML-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]2O)CCC1 ZINC001575605223 950455591 /nfs/dbraw/zinc/45/55/91/950455591.db2.gz LDJPMETWPAJDRP-VXGBXAGGSA-N -1 3 377.836 0.771 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]2O)CCC1 ZINC001575605223 950455612 /nfs/dbraw/zinc/45/56/12/950455612.db2.gz LDJPMETWPAJDRP-VXGBXAGGSA-N -1 3 377.836 0.771 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574751396 950456554 /nfs/dbraw/zinc/45/65/54/950456554.db2.gz MYUQQSMYPZFGIO-QWHCGFSZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574751396 950456563 /nfs/dbraw/zinc/45/65/63/950456563.db2.gz MYUQQSMYPZFGIO-QWHCGFSZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1CCC(O)CC1 ZINC001574751634 950459553 /nfs/dbraw/zinc/45/95/53/950459553.db2.gz PLZWWCGHRMUKKW-VOMCLLRMSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1CCC(O)CC1 ZINC001574751634 950459569 /nfs/dbraw/zinc/45/95/69/950459569.db2.gz PLZWWCGHRMUKKW-VOMCLLRMSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)n1cccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574507648 950460035 /nfs/dbraw/zinc/46/00/35/950460035.db2.gz GXFIDGVAJCWJIP-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)n1cccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574507648 950460053 /nfs/dbraw/zinc/46/00/53/950460053.db2.gz GXFIDGVAJCWJIP-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575912183 950460342 /nfs/dbraw/zinc/46/03/42/950460342.db2.gz QFMMSNZGQOESOY-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575912183 950460357 /nfs/dbraw/zinc/46/03/57/950460357.db2.gz QFMMSNZGQOESOY-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1CCC(O)CC1 ZINC001574751633 950461429 /nfs/dbraw/zinc/46/14/29/950461429.db2.gz PLZWWCGHRMUKKW-UNXYVOJBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1CCC(O)CC1 ZINC001574751633 950461439 /nfs/dbraw/zinc/46/14/39/950461439.db2.gz PLZWWCGHRMUKKW-UNXYVOJBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H]1[C@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575912147 950461467 /nfs/dbraw/zinc/46/14/67/950461467.db2.gz QACJSQCGSXOLQZ-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575912147 950461482 /nfs/dbraw/zinc/46/14/82/950461482.db2.gz QACJSQCGSXOLQZ-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574993566 950462574 /nfs/dbraw/zinc/46/25/74/950462574.db2.gz LEYKONJAQXPQET-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574993566 950462590 /nfs/dbraw/zinc/46/25/90/950462590.db2.gz LEYKONJAQXPQET-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001574166391 950463258 /nfs/dbraw/zinc/46/32/58/950463258.db2.gz QIMSDTRJGQVZJP-LBPRGKRZSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001574166391 950463266 /nfs/dbraw/zinc/46/32/66/950463266.db2.gz QIMSDTRJGQVZJP-LBPRGKRZSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574993132 950463297 /nfs/dbraw/zinc/46/32/97/950463297.db2.gz JJKMJKIQJLUDFR-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574993132 950463309 /nfs/dbraw/zinc/46/33/09/950463309.db2.gz JJKMJKIQJLUDFR-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c(F)cncc1F ZINC001574993154 950464012 /nfs/dbraw/zinc/46/40/12/950464012.db2.gz JUFZZSLCJMCFCF-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c(F)cncc1F ZINC001574993154 950464030 /nfs/dbraw/zinc/46/40/30/950464030.db2.gz JUFZZSLCJMCFCF-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cncn1C ZINC001575912570 950464692 /nfs/dbraw/zinc/46/46/92/950464692.db2.gz HHCKWNNXAJROPM-AAEUAGOBSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575912240 950465983 /nfs/dbraw/zinc/46/59/83/950465983.db2.gz RAVDJXBDWUSASL-GXSJLCMTSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575912240 950465989 /nfs/dbraw/zinc/46/59/89/950465989.db2.gz RAVDJXBDWUSASL-GXSJLCMTSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912712 950468350 /nfs/dbraw/zinc/46/83/50/950468350.db2.gz IEFQQIJETRIGBZ-BXKDBHETSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912712 950468359 /nfs/dbraw/zinc/46/83/59/950468359.db2.gz IEFQQIJETRIGBZ-BXKDBHETSA-N -1 3 381.400 0.404 20 0 GCADHM CC1CCN(CC(=O)N[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CC1 ZINC001576204648 950470299 /nfs/dbraw/zinc/47/02/99/950470299.db2.gz QXICBZSKMXAENO-AWEZNQCLSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574994171 950471397 /nfs/dbraw/zinc/47/13/97/950471397.db2.gz OKAQELSGLVOYMI-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574994171 950471410 /nfs/dbraw/zinc/47/14/10/950471410.db2.gz OKAQELSGLVOYMI-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H]1[C@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575913008 950471452 /nfs/dbraw/zinc/47/14/52/950471452.db2.gz SMZPWPZQTPIOOD-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575913008 950471467 /nfs/dbraw/zinc/47/14/67/950471467.db2.gz SMZPWPZQTPIOOD-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N ZINC001573862632 950471645 /nfs/dbraw/zinc/47/16/45/950471645.db2.gz YNBQFHOSOUBHFN-SECBINFHSA-N -1 3 381.368 0.412 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N ZINC001573862632 950471661 /nfs/dbraw/zinc/47/16/61/950471661.db2.gz YNBQFHOSOUBHFN-SECBINFHSA-N -1 3 381.368 0.412 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575605606 950472272 /nfs/dbraw/zinc/47/22/72/950472272.db2.gz QCLOCZQNCBEPPU-WHWRDJHUSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575605606 950472286 /nfs/dbraw/zinc/47/22/86/950472286.db2.gz QCLOCZQNCBEPPU-WHWRDJHUSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ncccc1-c1nnn[n-]1 ZINC001574752144 950474834 /nfs/dbraw/zinc/47/48/34/950474834.db2.gz UINLLLCWVKRATN-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ncccc1-c1nn[n-]n1 ZINC001574752144 950474848 /nfs/dbraw/zinc/47/48/48/950474848.db2.gz UINLLLCWVKRATN-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574166770 950474968 /nfs/dbraw/zinc/47/49/68/950474968.db2.gz YSHJOUZIUSPGGX-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574166770 950474975 /nfs/dbraw/zinc/47/49/75/950474975.db2.gz YSHJOUZIUSPGGX-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574994556 950483655 /nfs/dbraw/zinc/48/36/55/950483655.db2.gz UGMIFEAUEGDNLE-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574994556 950483678 /nfs/dbraw/zinc/48/36/78/950483678.db2.gz UGMIFEAUEGDNLE-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)CC(F)(F)C1 ZINC001575605893 950485978 /nfs/dbraw/zinc/48/59/78/950485978.db2.gz ZJMLMOMBCJVEKB-GHMZBOCLSA-N -1 3 397.361 0.502 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)CC(F)(F)C1 ZINC001575605893 950485990 /nfs/dbraw/zinc/48/59/90/950485990.db2.gz ZJMLMOMBCJVEKB-GHMZBOCLSA-N -1 3 397.361 0.502 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2O)CCOC1 ZINC001575605897 950486114 /nfs/dbraw/zinc/48/61/14/950486114.db2.gz ZMNYHXBXXNWQQS-HSMVNMDESA-N -1 3 378.458 0.016 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2O)CCOC1 ZINC001575605897 950486128 /nfs/dbraw/zinc/48/61/28/950486128.db2.gz ZMNYHXBXXNWQQS-HSMVNMDESA-N -1 3 378.458 0.016 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575914519 950494802 /nfs/dbraw/zinc/49/48/02/950494802.db2.gz LHJWSACALFWBFM-BXUZGUMPSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575914519 950494811 /nfs/dbraw/zinc/49/48/11/950494811.db2.gz LHJWSACALFWBFM-BXUZGUMPSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccc2c1OCC2 ZINC001574995273 950500856 /nfs/dbraw/zinc/50/08/56/950500856.db2.gz YJSZMZNSKBBULZ-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccc2c1OCC2 ZINC001574995273 950500874 /nfs/dbraw/zinc/50/08/74/950500874.db2.gz YJSZMZNSKBBULZ-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574509204 950501072 /nfs/dbraw/zinc/50/10/72/950501072.db2.gz SLKGPSVZNWDODB-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574509204 950501087 /nfs/dbraw/zinc/50/10/87/950501087.db2.gz SLKGPSVZNWDODB-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573866512 950506538 /nfs/dbraw/zinc/50/65/38/950506538.db2.gz FNEODDYMHUAWPR-LBPRGKRZSA-N -1 3 375.433 0.716 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573866512 950506557 /nfs/dbraw/zinc/50/65/57/950506557.db2.gz FNEODDYMHUAWPR-LBPRGKRZSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574752969 950507865 /nfs/dbraw/zinc/50/78/65/950507865.db2.gz HIVIZKCATZJJET-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574752969 950507879 /nfs/dbraw/zinc/50/78/79/950507879.db2.gz HIVIZKCATZJJET-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CCNC(=O)C1 ZINC001575607556 950510115 /nfs/dbraw/zinc/51/01/15/950510115.db2.gz JDMAORQRJBZEGA-RVPKQNPDSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CCNC(=O)C1 ZINC001575607556 950510129 /nfs/dbraw/zinc/51/01/29/950510129.db2.gz JDMAORQRJBZEGA-RVPKQNPDSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574753235 950514692 /nfs/dbraw/zinc/51/46/92/950514692.db2.gz JXHPQXLCIXUQBS-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574753235 950514710 /nfs/dbraw/zinc/51/47/10/950514710.db2.gz JXHPQXLCIXUQBS-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575915613 950514757 /nfs/dbraw/zinc/51/47/57/950514757.db2.gz NNFMUDQACFVSNA-CMPLNLGQSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575915613 950514775 /nfs/dbraw/zinc/51/47/75/950514775.db2.gz NNFMUDQACFVSNA-CMPLNLGQSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1CCN(CC(=O)N[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C(C)(C)C)C1 ZINC001576205334 950515041 /nfs/dbraw/zinc/51/50/41/950515041.db2.gz XLYDEDSLTYIHKT-OLZOCXBDSA-N -1 3 387.492 0.363 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001574509511 950517076 /nfs/dbraw/zinc/51/70/76/950517076.db2.gz WGJIXMQKEYVZPT-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001574509511 950517097 /nfs/dbraw/zinc/51/70/97/950517097.db2.gz WGJIXMQKEYVZPT-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM CC1CCN(CC(=O)NC2CCN(c3nccnc3-c3nnn[n-]3)CC2)CC1 ZINC001576205549 950522337 /nfs/dbraw/zinc/52/23/37/950522337.db2.gz ZZUMIOCRTMCXLI-UHFFFAOYSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574509717 950526786 /nfs/dbraw/zinc/52/67/86/950526786.db2.gz WGJIXMQKEYVZPT-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574509717 950526800 /nfs/dbraw/zinc/52/68/00/950526800.db2.gz WGJIXMQKEYVZPT-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]n1 ZINC001574996667 950530341 /nfs/dbraw/zinc/53/03/41/950530341.db2.gz OAQYREXHPPUFCX-SNVBAGLBSA-N -1 3 385.432 0.837 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]n1 ZINC001574996667 950530358 /nfs/dbraw/zinc/53/03/58/950530358.db2.gz OAQYREXHPPUFCX-SNVBAGLBSA-N -1 3 385.432 0.837 20 0 GCADHM C[C@H]1[C@@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916396 950533479 /nfs/dbraw/zinc/53/34/79/950533479.db2.gz ZCBAERHWPGPICJ-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916396 950533496 /nfs/dbraw/zinc/53/34/96/950533496.db2.gz ZCBAERHWPGPICJ-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573867415 950534837 /nfs/dbraw/zinc/53/48/37/950534837.db2.gz ZBNQYIJXNLBPJN-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573867415 950534855 /nfs/dbraw/zinc/53/48/55/950534855.db2.gz ZBNQYIJXNLBPJN-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573867430 950536139 /nfs/dbraw/zinc/53/61/39/950536139.db2.gz ZPAMNUIAJNAPEH-ZDUSSCGKSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573867430 950536155 /nfs/dbraw/zinc/53/61/55/950536155.db2.gz ZPAMNUIAJNAPEH-ZDUSSCGKSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001574170406 950539808 /nfs/dbraw/zinc/53/98/08/950539808.db2.gz IJMFYCSZUWSEAU-GXTWGEPZSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001574170406 950539819 /nfs/dbraw/zinc/53/98/19/950539819.db2.gz IJMFYCSZUWSEAU-GXTWGEPZSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[nH]n1 ZINC001574997701 950549097 /nfs/dbraw/zinc/54/90/97/950549097.db2.gz WVWVJTJZIYXMTH-SNVBAGLBSA-N -1 3 385.432 0.837 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]n1 ZINC001574997701 950549108 /nfs/dbraw/zinc/54/91/08/950549108.db2.gz WVWVJTJZIYXMTH-SNVBAGLBSA-N -1 3 385.432 0.837 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575916843 950549400 /nfs/dbraw/zinc/54/94/00/950549400.db2.gz SKVPTVNPIBHSHI-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575916843 950549416 /nfs/dbraw/zinc/54/94/16/950549416.db2.gz SKVPTVNPIBHSHI-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)CCCOC1 ZINC001575614798 950552501 /nfs/dbraw/zinc/55/25/01/950552501.db2.gz QDTXGOODIZFRCB-SLAGJKONSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)CCCOC1 ZINC001575614798 950552519 /nfs/dbraw/zinc/55/25/19/950552519.db2.gz QDTXGOODIZFRCB-SLAGJKONSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4ncc(-c5nnn[n-]5)cc4Cl)C[C@H]32)CCOC1 ZINC001575614783 950553680 /nfs/dbraw/zinc/55/36/80/950553680.db2.gz PPUJNILDEIIDBU-ZKAWZIJESA-N -1 3 389.847 0.893 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4ncc(-c5nn[n-]n5)cc4Cl)C[C@H]32)CCOC1 ZINC001575614783 950553695 /nfs/dbraw/zinc/55/36/95/950553695.db2.gz PPUJNILDEIIDBU-ZKAWZIJESA-N -1 3 389.847 0.893 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574753972 950555532 /nfs/dbraw/zinc/55/55/32/950555532.db2.gz IWCMJKZYTGAKPC-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574753972 950555549 /nfs/dbraw/zinc/55/55/49/950555549.db2.gz IWCMJKZYTGAKPC-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cscn1 ZINC001574753953 950556191 /nfs/dbraw/zinc/55/61/91/950556191.db2.gz IOMSSVRHKUYILL-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cscn1 ZINC001574753953 950556208 /nfs/dbraw/zinc/55/62/08/950556208.db2.gz IOMSSVRHKUYILL-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@]1(C(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)CCCS1(=O)=O ZINC001575614828 950556936 /nfs/dbraw/zinc/55/69/36/950556936.db2.gz RFYNKXFLESVTCN-OAHLLOKOSA-N -1 3 388.413 0.353 20 0 GCADHM C[C@]1(C(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)CCCS1(=O)=O ZINC001575614828 950556948 /nfs/dbraw/zinc/55/69/48/950556948.db2.gz RFYNKXFLESVTCN-OAHLLOKOSA-N -1 3 388.413 0.353 20 0 GCADHM C[C@@H]1CCN(CC(=O)NCC2(Nc3ccnc(-c4nnn[n-]4)n3)CCCC2)C1 ZINC001576206111 950558328 /nfs/dbraw/zinc/55/83/28/950558328.db2.gz UTIPZVVOTHGYPL-CYBMUJFWSA-N -1 3 385.476 0.261 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001574171445 950560300 /nfs/dbraw/zinc/56/03/00/950560300.db2.gz QFCRNYKAMBUYSW-BXUZGUMPSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001574171445 950560316 /nfs/dbraw/zinc/56/03/16/950560316.db2.gz QFCRNYKAMBUYSW-BXUZGUMPSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574171706 950563656 /nfs/dbraw/zinc/56/36/56/950563656.db2.gz TZZURHNDWOGANI-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574171706 950563670 /nfs/dbraw/zinc/56/36/70/950563670.db2.gz TZZURHNDWOGANI-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575917332 950563869 /nfs/dbraw/zinc/56/38/69/950563869.db2.gz WMXRHVVKRRJZFU-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575917332 950563883 /nfs/dbraw/zinc/56/38/83/950563883.db2.gz WMXRHVVKRRJZFU-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cnn(C)c1 ZINC001574754309 950568167 /nfs/dbraw/zinc/56/81/67/950568167.db2.gz KKEDFIXGGTWJFC-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cnn(C)c1 ZINC001574754309 950568179 /nfs/dbraw/zinc/56/81/79/950568179.db2.gz KKEDFIXGGTWJFC-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnnn1C(C)(C)C ZINC001574754534 950571778 /nfs/dbraw/zinc/57/17/78/950571778.db2.gz LZEMEJQTOZYOEV-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573869745 950574323 /nfs/dbraw/zinc/57/43/23/950574323.db2.gz CBFQXLIHGGMBKB-INIZCTEOSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573869745 950574347 /nfs/dbraw/zinc/57/43/47/950574347.db2.gz CBFQXLIHGGMBKB-INIZCTEOSA-N -1 3 388.472 0.999 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)n1cccc1 ZINC001574511921 950574951 /nfs/dbraw/zinc/57/49/51/950574951.db2.gz WFDRLEAWMCBMKU-WQVCFCJDSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)n1cccc1 ZINC001574511921 950574979 /nfs/dbraw/zinc/57/49/79/950574979.db2.gz WFDRLEAWMCBMKU-WQVCFCJDSA-N -1 3 382.428 0.380 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573869908 950575211 /nfs/dbraw/zinc/57/52/11/950575211.db2.gz RIMVLABMJAEFLO-DYEKYZERSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573869908 950575233 /nfs/dbraw/zinc/57/52/33/950575233.db2.gz RIMVLABMJAEFLO-DYEKYZERSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573869730 950578129 /nfs/dbraw/zinc/57/81/29/950578129.db2.gz BYUVFPVIRVLJAU-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573869730 950578151 /nfs/dbraw/zinc/57/81/51/950578151.db2.gz BYUVFPVIRVLJAU-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575616220 950584637 /nfs/dbraw/zinc/58/46/37/950584637.db2.gz NXYCUEMJHSDZTF-NSHDSACASA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575616220 950584654 /nfs/dbraw/zinc/58/46/54/950584654.db2.gz NXYCUEMJHSDZTF-NSHDSACASA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573870128 950585307 /nfs/dbraw/zinc/58/53/07/950585307.db2.gz FCJVJBZUXLWZIT-UHFFFAOYSA-N -1 3 392.435 0.484 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573870128 950585328 /nfs/dbraw/zinc/58/53/28/950585328.db2.gz FCJVJBZUXLWZIT-UHFFFAOYSA-N -1 3 392.435 0.484 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917603 950585655 /nfs/dbraw/zinc/58/56/55/950585655.db2.gz ZWMKVGWTHKHIGF-WCQYABFASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917603 950585672 /nfs/dbraw/zinc/58/56/72/950585672.db2.gz ZWMKVGWTHKHIGF-WCQYABFASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c(F)cncc1F ZINC001574754813 950586566 /nfs/dbraw/zinc/58/65/66/950586566.db2.gz QRAHETRGJWQUOQ-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c(F)cncc1F ZINC001574754813 950586584 /nfs/dbraw/zinc/58/65/84/950586584.db2.gz QRAHETRGJWQUOQ-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C)n1ccnc1 ZINC001574513003 950591046 /nfs/dbraw/zinc/59/10/46/950591046.db2.gz GDEACBGSAOWHJA-XQQFMLRXSA-N -1 3 397.443 0.762 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C)n1ccnc1 ZINC001574513003 950591063 /nfs/dbraw/zinc/59/10/63/950591063.db2.gz GDEACBGSAOWHJA-XQQFMLRXSA-N -1 3 397.443 0.762 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001574755222 950591659 /nfs/dbraw/zinc/59/16/59/950591659.db2.gz STWAIGMBLAOHKV-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001574755222 950591671 /nfs/dbraw/zinc/59/16/71/950591671.db2.gz STWAIGMBLAOHKV-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1n[nH]c2c1CCC2 ZINC001574755147 950591928 /nfs/dbraw/zinc/59/19/28/950591928.db2.gz SDQVAUUDPVHGSO-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575000274 950597244 /nfs/dbraw/zinc/59/72/44/950597244.db2.gz BUVUPKXYKAYKJZ-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575000274 950597259 /nfs/dbraw/zinc/59/72/59/950597259.db2.gz BUVUPKXYKAYKJZ-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nnn(C(C)(C)C)n1 ZINC001574756306 950602478 /nfs/dbraw/zinc/60/24/78/950602478.db2.gz YRKHFVTZFVEJHX-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnn(C(C)(C)C)n1 ZINC001574756306 950602485 /nfs/dbraw/zinc/60/24/85/950602485.db2.gz YRKHFVTZFVEJHX-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H]1[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CS(C)(=O)=O ZINC001575919002 950603555 /nfs/dbraw/zinc/60/35/55/950603555.db2.gz FJRGQHJFPMMGEX-MWLCHTKSSA-N -1 3 382.421 0.452 20 0 GCADHM C[C@@H]1[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CS(C)(=O)=O ZINC001575919002 950603573 /nfs/dbraw/zinc/60/35/73/950603573.db2.gz FJRGQHJFPMMGEX-MWLCHTKSSA-N -1 3 382.421 0.452 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000649 950607494 /nfs/dbraw/zinc/60/74/94/950607494.db2.gz RJUNZZWFIOEPEI-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000649 950607509 /nfs/dbraw/zinc/60/75/09/950607509.db2.gz RJUNZZWFIOEPEI-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)C[C@@H](C)NC(N)=O ZINC001574513734 950618572 /nfs/dbraw/zinc/61/85/72/950618572.db2.gz XBVCCTMKQOEAMU-HTQZYQBOSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)C[C@@H](C)NC(N)=O ZINC001574513734 950618593 /nfs/dbraw/zinc/61/85/93/950618593.db2.gz XBVCCTMKQOEAMU-HTQZYQBOSA-N -1 3 381.828 0.279 20 0 GCADHM CC1(C)C(C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1(C)C ZINC001575619288 950619236 /nfs/dbraw/zinc/61/92/36/950619236.db2.gz NSDLQBNVJJRODD-UHFFFAOYSA-N -1 3 387.444 0.180 20 0 GCADHM CC1(C)C(C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1(C)C ZINC001575619288 950619256 /nfs/dbraw/zinc/61/92/56/950619256.db2.gz NSDLQBNVJJRODD-UHFFFAOYSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576208964 950621033 /nfs/dbraw/zinc/62/10/33/950621033.db2.gz WJLCKFWSFLSEOG-BFHYXJOUSA-N -1 3 385.476 0.260 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574515147 950624691 /nfs/dbraw/zinc/62/46/91/950624691.db2.gz AMYLGHYKHLZGIX-DRZSPHRISA-N -1 3 383.416 0.420 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573871774 950629237 /nfs/dbraw/zinc/62/92/37/950629237.db2.gz WKFHMRCSBQHIPC-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573871774 950629248 /nfs/dbraw/zinc/62/92/48/950629248.db2.gz WKFHMRCSBQHIPC-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC1(C)C(C(=O)N(CCO)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1(C)C ZINC001575620395 950631689 /nfs/dbraw/zinc/63/16/89/950631689.db2.gz XJNUGKTXSAPTDL-UHFFFAOYSA-N -1 3 389.460 0.428 20 0 GCADHM CC1(C)C(C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1(C)C ZINC001575620395 950631702 /nfs/dbraw/zinc/63/17/02/950631702.db2.gz XJNUGKTXSAPTDL-UHFFFAOYSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573871978 950632638 /nfs/dbraw/zinc/63/26/38/950632638.db2.gz YFFBJMLQKWHADY-QGZVFWFLSA-N -1 3 375.433 0.134 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573871978 950632652 /nfs/dbraw/zinc/63/26/52/950632652.db2.gz YFFBJMLQKWHADY-QGZVFWFLSA-N -1 3 375.433 0.134 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574759318 950633598 /nfs/dbraw/zinc/63/35/98/950633598.db2.gz NBCTUZDDTFEFIC-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574759318 950633610 /nfs/dbraw/zinc/63/36/10/950633610.db2.gz NBCTUZDDTFEFIC-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573873098 950634695 /nfs/dbraw/zinc/63/46/95/950634695.db2.gz FTVNBYUQPJPZOQ-XYPYZODXSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573873098 950634711 /nfs/dbraw/zinc/63/47/11/950634711.db2.gz FTVNBYUQPJPZOQ-XYPYZODXSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575001543 950635880 /nfs/dbraw/zinc/63/58/80/950635880.db2.gz MWSMXOGGMMFKBL-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575001543 950635897 /nfs/dbraw/zinc/63/58/97/950635897.db2.gz MWSMXOGGMMFKBL-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575001612 950642160 /nfs/dbraw/zinc/64/21/60/950642160.db2.gz WOXPGZCJKKKEHT-NSHDSACASA-N -1 3 385.432 0.789 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575001612 950642170 /nfs/dbraw/zinc/64/21/70/950642170.db2.gz WOXPGZCJKKKEHT-NSHDSACASA-N -1 3 385.432 0.789 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001574174712 950644141 /nfs/dbraw/zinc/64/41/41/950644141.db2.gz JPHXNIMQERTTSJ-GXTWGEPZSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001574174712 950644153 /nfs/dbraw/zinc/64/41/53/950644153.db2.gz JPHXNIMQERTTSJ-GXTWGEPZSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574517697 950645310 /nfs/dbraw/zinc/64/53/10/950645310.db2.gz LMEWFQKYIRFSDW-IKVITTDRSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574517697 950645327 /nfs/dbraw/zinc/64/53/27/950645327.db2.gz LMEWFQKYIRFSDW-IKVITTDRSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)nn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574760173 950655333 /nfs/dbraw/zinc/65/53/33/950655333.db2.gz GULSBTJDCUFWAE-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)nn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574760173 950655351 /nfs/dbraw/zinc/65/53/51/950655351.db2.gz GULSBTJDCUFWAE-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@@H]1O ZINC001576214049 950657220 /nfs/dbraw/zinc/65/72/20/950657220.db2.gz LYYIWDFHOSRMFC-DOMZBBRYSA-N -1 3 382.428 0.694 20 0 GCADHM C[C@@H]1CCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@@H]1O ZINC001576214049 950657232 /nfs/dbraw/zinc/65/72/32/950657232.db2.gz LYYIWDFHOSRMFC-DOMZBBRYSA-N -1 3 382.428 0.694 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574519009 950664778 /nfs/dbraw/zinc/66/47/78/950664778.db2.gz SGEJVQPBJJMRMH-IKVITTDRSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574519009 950664785 /nfs/dbraw/zinc/66/47/85/950664785.db2.gz SGEJVQPBJJMRMH-IKVITTDRSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574519007 950665889 /nfs/dbraw/zinc/66/58/89/950665889.db2.gz SGEJVQPBJJMRMH-GZCFXPHUSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574519007 950665910 /nfs/dbraw/zinc/66/59/10/950665910.db2.gz SGEJVQPBJJMRMH-GZCFXPHUSA-N -1 3 387.444 0.777 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575624211 950666241 /nfs/dbraw/zinc/66/62/41/950666241.db2.gz HRFDYZBFCTWURN-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575624211 950666257 /nfs/dbraw/zinc/66/62/57/950666257.db2.gz HRFDYZBFCTWURN-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)N2CCO[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575625047 950679044 /nfs/dbraw/zinc/67/90/44/950679044.db2.gz NJYBFHHTESIGLS-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)N2CCO[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575625047 950679053 /nfs/dbraw/zinc/67/90/53/950679053.db2.gz NJYBFHHTESIGLS-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)S(=O)(=O)CC(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573876730 950680922 /nfs/dbraw/zinc/68/09/22/950680922.db2.gz UBFSUIIEODQWJU-UHFFFAOYSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574519451 950681559 /nfs/dbraw/zinc/68/15/59/950681559.db2.gz WLCFVSQTZJNHTM-RTXFEEFZSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574519451 950681577 /nfs/dbraw/zinc/68/15/77/950681577.db2.gz WLCFVSQTZJNHTM-RTXFEEFZSA-N -1 3 383.416 0.420 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001574176641 950682665 /nfs/dbraw/zinc/68/26/65/950682665.db2.gz XLAJGRQPZJRXAE-ZIAGYGMSSA-N -1 3 377.424 0.893 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001574176641 950682675 /nfs/dbraw/zinc/68/26/75/950682675.db2.gz XLAJGRQPZJRXAE-ZIAGYGMSSA-N -1 3 377.424 0.893 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn2c(n1)CCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574761002 950687942 /nfs/dbraw/zinc/68/79/42/950687942.db2.gz PZRVXRGBMRXVGO-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn2c(n1)CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574761002 950687952 /nfs/dbraw/zinc/68/79/52/950687952.db2.gz PZRVXRGBMRXVGO-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575005537 950688121 /nfs/dbraw/zinc/68/81/21/950688121.db2.gz HLKMSKMZCDMTEJ-VFZGTOFNSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575005537 950688139 /nfs/dbraw/zinc/68/81/39/950688139.db2.gz HLKMSKMZCDMTEJ-VFZGTOFNSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn2c(n1)CCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574761001 950689538 /nfs/dbraw/zinc/68/95/38/950689538.db2.gz PZRVXRGBMRXVGO-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn2c(n1)CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574761001 950689549 /nfs/dbraw/zinc/68/95/49/950689549.db2.gz PZRVXRGBMRXVGO-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575005536 950690938 /nfs/dbraw/zinc/69/09/38/950690938.db2.gz HLKMSKMZCDMTEJ-RFAUZJTJSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575005536 950690953 /nfs/dbraw/zinc/69/09/53/950690953.db2.gz HLKMSKMZCDMTEJ-RFAUZJTJSA-N -1 3 379.371 0.865 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574761573 950695427 /nfs/dbraw/zinc/69/54/27/950695427.db2.gz SJPRKQYFIWXPOH-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574761573 950695441 /nfs/dbraw/zinc/69/54/41/950695441.db2.gz SJPRKQYFIWXPOH-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576215373 950695651 /nfs/dbraw/zinc/69/56/51/950695651.db2.gz ARUIDSGLQSLNDS-CMPLNLGQSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576215373 950695665 /nfs/dbraw/zinc/69/56/65/950695665.db2.gz ARUIDSGLQSLNDS-CMPLNLGQSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574519749 950696318 /nfs/dbraw/zinc/69/63/18/950696318.db2.gz HWNZFBVRYYKHOP-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574519749 950696336 /nfs/dbraw/zinc/69/63/36/950696336.db2.gz HWNZFBVRYYKHOP-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574762131 950700710 /nfs/dbraw/zinc/70/07/10/950700710.db2.gz VONVKGVXDUFLOA-MRVPVSSYSA-N -1 3 391.823 0.927 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573878373 950706194 /nfs/dbraw/zinc/70/61/94/950706194.db2.gz OLCNKGLCPKJZJF-VXGBXAGGSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573878373 950706206 /nfs/dbraw/zinc/70/62/06/950706206.db2.gz OLCNKGLCPKJZJF-VXGBXAGGSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575005862 950707562 /nfs/dbraw/zinc/70/75/62/950707562.db2.gz OVNKWDQFWMDIIC-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575005862 950707575 /nfs/dbraw/zinc/70/75/75/950707575.db2.gz OVNKWDQFWMDIIC-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573878586 950712527 /nfs/dbraw/zinc/71/25/27/950712527.db2.gz VLSAZMKNFVQPSI-IJLUTSLNSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573878586 950712545 /nfs/dbraw/zinc/71/25/45/950712545.db2.gz VLSAZMKNFVQPSI-IJLUTSLNSA-N -1 3 375.433 0.084 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574520067 950712879 /nfs/dbraw/zinc/71/28/79/950712879.db2.gz LAGXTGDVEZIZTQ-MNOVXSKESA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574520067 950712894 /nfs/dbraw/zinc/71/28/94/950712894.db2.gz LAGXTGDVEZIZTQ-MNOVXSKESA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573878555 950715707 /nfs/dbraw/zinc/71/57/07/950715707.db2.gz UHUQHSFOWCGAPV-MHWZDGSBSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573878555 950715720 /nfs/dbraw/zinc/71/57/20/950715720.db2.gz UHUQHSFOWCGAPV-MHWZDGSBSA-N -1 3 387.444 0.179 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001576215909 950717288 /nfs/dbraw/zinc/71/72/88/950717288.db2.gz HDGIQJQQPSTGAP-NOZJJQNGSA-N -1 3 384.448 0.652 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575006538 950720812 /nfs/dbraw/zinc/72/08/12/950720812.db2.gz VLGRTJFITDXPTE-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575006538 950720823 /nfs/dbraw/zinc/72/08/23/950720823.db2.gz VLGRTJFITDXPTE-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cnsn1)C1CC1 ZINC001575006267 950721694 /nfs/dbraw/zinc/72/16/94/950721694.db2.gz ULULZVZHHJZSLS-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cnsn1)C1CC1 ZINC001575006267 950721702 /nfs/dbraw/zinc/72/17/02/950721702.db2.gz ULULZVZHHJZSLS-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)[nH]n1 ZINC001573879427 950722123 /nfs/dbraw/zinc/72/21/23/950722123.db2.gz BPYYYJWTCBXTHC-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)[nH]n1 ZINC001573879427 950722142 /nfs/dbraw/zinc/72/21/42/950722142.db2.gz BPYYYJWTCBXTHC-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)[nH]n1 ZINC001573879390 950722423 /nfs/dbraw/zinc/72/24/23/950722423.db2.gz AEZRWUDFDMAKIM-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)no1 ZINC001573879525 950722994 /nfs/dbraw/zinc/72/29/94/950722994.db2.gz DKKHATBTTCOFJL-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)no1 ZINC001573879525 950723008 /nfs/dbraw/zinc/72/30/08/950723008.db2.gz DKKHATBTTCOFJL-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001575006608 950724472 /nfs/dbraw/zinc/72/44/72/950724472.db2.gz WGUHCZGIWGCONQ-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001575006608 950724492 /nfs/dbraw/zinc/72/44/92/950724492.db2.gz WGUHCZGIWGCONQ-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ccncn1)C1CC1 ZINC001575006930 950731355 /nfs/dbraw/zinc/73/13/55/950731355.db2.gz YDKIHKVSLUOSAK-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ccncn1)C1CC1 ZINC001575006930 950731375 /nfs/dbraw/zinc/73/13/75/950731375.db2.gz YDKIHKVSLUOSAK-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H]1CCn2cc(C(=O)NCCN(C)c3ncccc3-c3nnn[n-]3)nc2C1 ZINC001576216366 950732648 /nfs/dbraw/zinc/73/26/48/950732648.db2.gz IJKACQKOXHANNM-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@H]1CCn2cc(C(=O)NCCN(C)c3ncccc3-c3nn[n-]n3)nc2C1 ZINC001576216366 950732667 /nfs/dbraw/zinc/73/26/67/950732667.db2.gz IJKACQKOXHANNM-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575007846 950734284 /nfs/dbraw/zinc/73/42/84/950734284.db2.gz ADMRENIOZAGNKD-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575007846 950734299 /nfs/dbraw/zinc/73/42/99/950734299.db2.gz ADMRENIOZAGNKD-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCOCC1CC1 ZINC001575008304 950741777 /nfs/dbraw/zinc/74/17/77/950741777.db2.gz DJWQFACXFBTXIB-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCOCC1CC1 ZINC001575008304 950741801 /nfs/dbraw/zinc/74/18/01/950741801.db2.gz DJWQFACXFBTXIB-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574764163 950742898 /nfs/dbraw/zinc/74/28/98/950742898.db2.gz QHQKDVNMTCWVFY-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574764163 950742912 /nfs/dbraw/zinc/74/29/12/950742912.db2.gz QHQKDVNMTCWVFY-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001574181728 950747423 /nfs/dbraw/zinc/74/74/23/950747423.db2.gz OZAGNFOZSAKYSK-ZDUSSCGKSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001574181728 950747437 /nfs/dbraw/zinc/74/74/37/950747437.db2.gz OZAGNFOZSAKYSK-ZDUSSCGKSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cc(Cl)no1 ZINC001575008493 950747649 /nfs/dbraw/zinc/74/76/49/950747649.db2.gz FSQNEJUXJLQCNA-SSDOTTSWSA-N -1 3 378.780 0.632 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cc(Cl)no1 ZINC001575008493 950747661 /nfs/dbraw/zinc/74/76/61/950747661.db2.gz FSQNEJUXJLQCNA-SSDOTTSWSA-N -1 3 378.780 0.632 20 0 GCADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCC(=O)N2CCCC[C@@H]2C(N)=O)n1 ZINC001573881299 950749389 /nfs/dbraw/zinc/74/93/89/950749389.db2.gz CSQUEVKJAUNOLX-GFCCVEGCSA-N -1 3 387.444 0.804 20 0 GCADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCC(=O)N2CCCC[C@@H]2C(N)=O)n1 ZINC001573881299 950749411 /nfs/dbraw/zinc/74/94/11/950749411.db2.gz CSQUEVKJAUNOLX-GFCCVEGCSA-N -1 3 387.444 0.804 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)C1 ZINC001575629787 950749456 /nfs/dbraw/zinc/74/94/56/950749456.db2.gz SUPACXZOSAFGBY-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)C1 ZINC001575629787 950749469 /nfs/dbraw/zinc/74/94/69/950749469.db2.gz SUPACXZOSAFGBY-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576216984 950750561 /nfs/dbraw/zinc/75/05/61/950750561.db2.gz FOWIINNNOBNFLC-GZMMTYOYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576216984 950750569 /nfs/dbraw/zinc/75/05/69/950750569.db2.gz FOWIINNNOBNFLC-GZMMTYOYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COc1ccsc1 ZINC001575008694 950752349 /nfs/dbraw/zinc/75/23/49/950752349.db2.gz GWDWKIZPFQHQRP-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COc1ccsc1 ZINC001575008694 950752362 /nfs/dbraw/zinc/75/23/62/950752362.db2.gz GWDWKIZPFQHQRP-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574181983 950753353 /nfs/dbraw/zinc/75/33/53/950753353.db2.gz REMRDPSTIDCZAE-HDJSIYSDSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574181983 950753374 /nfs/dbraw/zinc/75/33/74/950753374.db2.gz REMRDPSTIDCZAE-HDJSIYSDSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)CCC(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574181995 950753529 /nfs/dbraw/zinc/75/35/29/950753529.db2.gz RIMCPZGIMRMSPY-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574181995 950753548 /nfs/dbraw/zinc/75/35/48/950753548.db2.gz RIMCPZGIMRMSPY-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cnoc1C1CC1 ZINC001575008738 950753973 /nfs/dbraw/zinc/75/39/73/950753973.db2.gz HLWQPKZKBPYFRE-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cnoc1C1CC1 ZINC001575008738 950753990 /nfs/dbraw/zinc/75/39/90/950753990.db2.gz HLWQPKZKBPYFRE-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575008789 950755673 /nfs/dbraw/zinc/75/56/73/950755673.db2.gz IHEITEAVXIWAMZ-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575008789 950755692 /nfs/dbraw/zinc/75/56/92/950755692.db2.gz IHEITEAVXIWAMZ-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576217271 950756248 /nfs/dbraw/zinc/75/62/48/950756248.db2.gz LIGABLZLUNFRFX-YMTOWFKASA-N -1 3 383.416 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cnc(Cl)n1C ZINC001575008823 950757898 /nfs/dbraw/zinc/75/78/98/950757898.db2.gz ITQZDPBBCMRFNM-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cnc(Cl)n1C ZINC001575008823 950757917 /nfs/dbraw/zinc/75/79/17/950757917.db2.gz ITQZDPBBCMRFNM-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cscn1 ZINC001574520909 950758612 /nfs/dbraw/zinc/75/86/12/950758612.db2.gz BBGYXCASGCDEIR-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cscn1 ZINC001574520909 950758629 /nfs/dbraw/zinc/75/86/29/950758629.db2.gz BBGYXCASGCDEIR-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM CC1(C)CC(CC(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575630320 950763497 /nfs/dbraw/zinc/76/34/97/950763497.db2.gz BBVICDARHNSGDR-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC1(C)CC(CC(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575630320 950763519 /nfs/dbraw/zinc/76/35/19/950763519.db2.gz BBVICDARHNSGDR-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575927913 950764824 /nfs/dbraw/zinc/76/48/24/950764824.db2.gz VZXVNTIZTKJIIP-GXSJLCMTSA-N -1 3 380.416 0.972 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575630741 950766196 /nfs/dbraw/zinc/76/61/96/950766196.db2.gz GPWBUJLLPPTVPH-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575630741 950766213 /nfs/dbraw/zinc/76/62/13/950766213.db2.gz GPWBUJLLPPTVPH-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574764843 950766222 /nfs/dbraw/zinc/76/62/22/950766222.db2.gz ZNCQJAJRIXMCHR-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574764843 950766236 /nfs/dbraw/zinc/76/62/36/950766236.db2.gz ZNCQJAJRIXMCHR-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001575009082 950768838 /nfs/dbraw/zinc/76/88/38/950768838.db2.gz NGLXPPCFBUPZNR-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001575009082 950768848 /nfs/dbraw/zinc/76/88/48/950768848.db2.gz NGLXPPCFBUPZNR-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)Cc1ccc(=O)[nH]c1 ZINC001575009096 950775823 /nfs/dbraw/zinc/77/58/23/950775823.db2.gz NLKARRHUUKWBBL-SNVBAGLBSA-N -1 3 384.400 0.115 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)Cc1ccc(=O)[nH]c1 ZINC001575009096 950775833 /nfs/dbraw/zinc/77/58/33/950775833.db2.gz NLKARRHUUKWBBL-SNVBAGLBSA-N -1 3 384.400 0.115 20 0 GCADHM CC1(C)CC(CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575631505 950776098 /nfs/dbraw/zinc/77/60/98/950776098.db2.gz MZHSLHQLIKSJLZ-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(CC(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575631505 950776117 /nfs/dbraw/zinc/77/61/17/950776117.db2.gz MZHSLHQLIKSJLZ-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001576217961 950777382 /nfs/dbraw/zinc/77/73/82/950777382.db2.gz PPIZNGZBQWKUIB-NHYWBVRUSA-N -1 3 381.444 0.903 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001576217961 950777393 /nfs/dbraw/zinc/77/73/93/950777393.db2.gz PPIZNGZBQWKUIB-NHYWBVRUSA-N -1 3 381.444 0.903 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574184435 950778005 /nfs/dbraw/zinc/77/80/05/950778005.db2.gz JVLCZIFXMQRGGE-CQSZACIVSA-N -1 3 391.476 0.912 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574184435 950778024 /nfs/dbraw/zinc/77/80/24/950778024.db2.gz JVLCZIFXMQRGGE-CQSZACIVSA-N -1 3 391.476 0.912 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1ccccn1 ZINC001575009216 950779056 /nfs/dbraw/zinc/77/90/56/950779056.db2.gz PVXZSISDLCCCFO-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1ccccn1 ZINC001575009216 950779073 /nfs/dbraw/zinc/77/90/73/950779073.db2.gz PVXZSISDLCCCFO-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cc(Cl)cn1C ZINC001575009198 950779883 /nfs/dbraw/zinc/77/98/83/950779883.db2.gz PRJJLMBXLGMCGR-VIFPVBQESA-N -1 3 390.835 0.983 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cc(Cl)cn1C ZINC001575009198 950779893 /nfs/dbraw/zinc/77/98/93/950779893.db2.gz PRJJLMBXLGMCGR-VIFPVBQESA-N -1 3 390.835 0.983 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575009248 950782482 /nfs/dbraw/zinc/78/24/82/950782482.db2.gz QXKXOZMRNNWSIP-NVBFEUDRSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575009248 950782498 /nfs/dbraw/zinc/78/24/98/950782498.db2.gz QXKXOZMRNNWSIP-NVBFEUDRSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)c1csc(NC(=O)NC[C@H](O)Cn2ccnn2)c1-c1nnn[n-]1 ZINC001573884061 950782535 /nfs/dbraw/zinc/78/25/35/950782535.db2.gz FRMXXYLRHUONTA-VIFPVBQESA-N -1 3 391.461 1.000 20 0 GCADHM CC(C)(C)c1csc(NC(=O)NC[C@H](O)Cn2ccnn2)c1-c1nn[n-]n1 ZINC001573884061 950782559 /nfs/dbraw/zinc/78/25/59/950782559.db2.gz FRMXXYLRHUONTA-VIFPVBQESA-N -1 3 391.461 1.000 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576218382 950784737 /nfs/dbraw/zinc/78/47/37/950784737.db2.gz LPSQSLJZCVAJBI-LDYMZIIASA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576218382 950784755 /nfs/dbraw/zinc/78/47/55/950784755.db2.gz LPSQSLJZCVAJBI-LDYMZIIASA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575009247 950785131 /nfs/dbraw/zinc/78/51/31/950785131.db2.gz QXKXOZMRNNWSIP-HCKVZZMMSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575009247 950785156 /nfs/dbraw/zinc/78/51/56/950785156.db2.gz QXKXOZMRNNWSIP-HCKVZZMMSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC1CCCC1 ZINC001575009274 950785389 /nfs/dbraw/zinc/78/53/89/950785389.db2.gz RMFIOUWWCUVHGE-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC1CCCC1 ZINC001575009274 950785405 /nfs/dbraw/zinc/78/54/05/950785405.db2.gz RMFIOUWWCUVHGE-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575009572 950786641 /nfs/dbraw/zinc/78/66/41/950786641.db2.gz VAHZTYXVQVLZIP-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001575009572 950786659 /nfs/dbraw/zinc/78/66/59/950786659.db2.gz VAHZTYXVQVLZIP-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575009338 950787703 /nfs/dbraw/zinc/78/77/03/950787703.db2.gz UFEKQBQGOGDXEK-NWDGAFQWSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001575009338 950787726 /nfs/dbraw/zinc/78/77/26/950787726.db2.gz UFEKQBQGOGDXEK-NWDGAFQWSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H](C)c1ccnn1C ZINC001575009369 950788956 /nfs/dbraw/zinc/78/89/56/950788956.db2.gz UUUFLJPACFUAIA-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H](C)c1ccnn1C ZINC001575009369 950788987 /nfs/dbraw/zinc/78/89/87/950788987.db2.gz UUUFLJPACFUAIA-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574184839 950790003 /nfs/dbraw/zinc/79/00/03/950790003.db2.gz OQNVWTGGIKALMI-GFCCVEGCSA-N -1 3 377.449 0.570 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574184839 950790018 /nfs/dbraw/zinc/79/00/18/950790018.db2.gz OQNVWTGGIKALMI-GFCCVEGCSA-N -1 3 377.449 0.570 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573884247 950791780 /nfs/dbraw/zinc/79/17/80/950791780.db2.gz LQQHRSVHGSBPJK-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573884247 950791788 /nfs/dbraw/zinc/79/17/88/950791788.db2.gz LQQHRSVHGSBPJK-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573884250 950793251 /nfs/dbraw/zinc/79/32/51/950793251.db2.gz BSWQQKFFOROXNR-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573884250 950793264 /nfs/dbraw/zinc/79/32/64/950793264.db2.gz BSWQQKFFOROXNR-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001573884575 950797569 /nfs/dbraw/zinc/79/75/69/950797569.db2.gz FTCADXZCDPXKRR-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001573884575 950797594 /nfs/dbraw/zinc/79/75/94/950797594.db2.gz FTCADXZCDPXKRR-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001573884672 950800255 /nfs/dbraw/zinc/80/02/55/950800255.db2.gz IELXCRWLQSLGKA-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001573884672 950800277 /nfs/dbraw/zinc/80/02/77/950800277.db2.gz IELXCRWLQSLGKA-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ocnc1C1CC1 ZINC001575009883 950803996 /nfs/dbraw/zinc/80/39/96/950803996.db2.gz YGLZANVHTSMQES-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1ocnc1C1CC1 ZINC001575009883 950804012 /nfs/dbraw/zinc/80/40/12/950804012.db2.gz YGLZANVHTSMQES-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573884765 950805427 /nfs/dbraw/zinc/80/54/27/950805427.db2.gz PFGAAVQYWVTVBP-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573884765 950805447 /nfs/dbraw/zinc/80/54/47/950805447.db2.gz PFGAAVQYWVTVBP-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)C1CCC(O)CC1 ZINC001575010075 950807355 /nfs/dbraw/zinc/80/73/55/950807355.db2.gz ZQIZSLNIQUHQGC-VOMCLLRMSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)C1CCC(O)CC1 ZINC001575010075 950807374 /nfs/dbraw/zinc/80/73/74/950807374.db2.gz ZQIZSLNIQUHQGC-VOMCLLRMSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COc1cccnc1 ZINC001575009972 950808553 /nfs/dbraw/zinc/80/85/53/950808553.db2.gz ZKQWNDRCOYTDJS-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COc1cccnc1 ZINC001575009972 950808575 /nfs/dbraw/zinc/80/85/75/950808575.db2.gz ZKQWNDRCOYTDJS-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COc1cccnc1 ZINC001575009973 950810080 /nfs/dbraw/zinc/81/00/80/950810080.db2.gz ZKQWNDRCOYTDJS-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COc1cccnc1 ZINC001575009973 950810099 /nfs/dbraw/zinc/81/00/99/950810099.db2.gz ZKQWNDRCOYTDJS-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM CC1(C)CC(CC(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575633186 950811399 /nfs/dbraw/zinc/81/13/99/950811399.db2.gz QHVSWTGUQDSBKD-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC1(C)CC(CC(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575633186 950811420 /nfs/dbraw/zinc/81/14/20/950811420.db2.gz QHVSWTGUQDSBKD-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575633274 950812593 /nfs/dbraw/zinc/81/25/93/950812593.db2.gz QZCFJRILGBFRMR-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575633274 950812610 /nfs/dbraw/zinc/81/26/10/950812610.db2.gz QZCFJRILGBFRMR-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001575010127 950812693 /nfs/dbraw/zinc/81/26/93/950812693.db2.gz AYBNEYYLEVFQSX-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574766382 950815784 /nfs/dbraw/zinc/81/57/84/950815784.db2.gz JHAVZMJEIHVTBD-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574766382 950815807 /nfs/dbraw/zinc/81/58/07/950815807.db2.gz JHAVZMJEIHVTBD-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573885455 950825758 /nfs/dbraw/zinc/82/57/58/950825758.db2.gz ROVDROZHISJWCU-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573885455 950825774 /nfs/dbraw/zinc/82/57/74/950825774.db2.gz ROVDROZHISJWCU-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573885810 950833248 /nfs/dbraw/zinc/83/32/48/950833248.db2.gz VAYWXVPNCZABEF-UHFFFAOYSA-N -1 3 382.432 0.640 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001573885883 950836827 /nfs/dbraw/zinc/83/68/27/950836827.db2.gz WFHNLKJUKYNWAB-PHIMTYICSA-N -1 3 385.432 0.926 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001573885883 950836854 /nfs/dbraw/zinc/83/68/54/950836854.db2.gz WFHNLKJUKYNWAB-PHIMTYICSA-N -1 3 385.432 0.926 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CCc1ccon1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574523899 950838604 /nfs/dbraw/zinc/83/86/04/950838604.db2.gz RXQBZGBVFNSDML-WDEREUQCSA-N -1 3 386.416 0.829 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CCc1ccon1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574523899 950838629 /nfs/dbraw/zinc/83/86/29/950838629.db2.gz RXQBZGBVFNSDML-WDEREUQCSA-N -1 3 386.416 0.829 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1ncoc1C1CC1 ZINC001575010987 950839951 /nfs/dbraw/zinc/83/99/51/950839951.db2.gz KRXMQQYBYICTCH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1ncoc1C1CC1 ZINC001575010987 950839975 /nfs/dbraw/zinc/83/99/75/950839975.db2.gz KRXMQQYBYICTCH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)CC(=O)Nc1nccs1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767217 950842882 /nfs/dbraw/zinc/84/28/82/950842882.db2.gz NFSGYKFPRXEGPS-SECBINFHSA-N -1 3 389.445 0.340 20 0 GCADHM C[C@H](CN(C)CC(=O)Nc1nccs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767217 950842905 /nfs/dbraw/zinc/84/29/05/950842905.db2.gz NFSGYKFPRXEGPS-SECBINFHSA-N -1 3 389.445 0.340 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001574188588 950851119 /nfs/dbraw/zinc/85/11/19/950851119.db2.gz WMPHVIDUXJUXKS-HIFRSBDPSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001574188588 950851143 /nfs/dbraw/zinc/85/11/43/950851143.db2.gz WMPHVIDUXJUXKS-HIFRSBDPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccnn1C ZINC001574524188 950854198 /nfs/dbraw/zinc/85/41/98/950854198.db2.gz USNASNFXHMHOOT-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccnn1C ZINC001574524188 950854221 /nfs/dbraw/zinc/85/42/21/950854221.db2.gz USNASNFXHMHOOT-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM CC(C)CCCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574188680 950854606 /nfs/dbraw/zinc/85/46/06/950854606.db2.gz ZNNZWNZUVRYAGC-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574188680 950854625 /nfs/dbraw/zinc/85/46/25/950854625.db2.gz ZNNZWNZUVRYAGC-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H](CN(C)CC(=O)NC1CCCCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767455 950856136 /nfs/dbraw/zinc/85/61/36/950856136.db2.gz ORWKDKBGYGMGBM-GFCCVEGCSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@H](CN(C)CC(=O)NC1CCCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767455 950856157 /nfs/dbraw/zinc/85/61/57/950856157.db2.gz ORWKDKBGYGMGBM-GFCCVEGCSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CNC(=O)C1CC1 ZINC001575934525 950863035 /nfs/dbraw/zinc/86/30/35/950863035.db2.gz SDHXKEVSOOVYSH-NOZJJQNGSA-N -1 3 388.407 0.328 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CNC(=O)C1CC1 ZINC001575934525 950863046 /nfs/dbraw/zinc/86/30/46/950863046.db2.gz SDHXKEVSOOVYSH-NOZJJQNGSA-N -1 3 388.407 0.328 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCC[C@@H]1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767657 950863945 /nfs/dbraw/zinc/86/39/45/950863945.db2.gz PMODMPNNJPDVIH-STQMWFEESA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)Cc1ncccc1F ZINC001575011875 950864151 /nfs/dbraw/zinc/86/41/51/950864151.db2.gz SXHOEZZOSNFMTR-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)Cc1ncccc1F ZINC001575011875 950864167 /nfs/dbraw/zinc/86/41/67/950864167.db2.gz SXHOEZZOSNFMTR-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC1CCCCC1 ZINC001575011788 950867057 /nfs/dbraw/zinc/86/70/57/950867057.db2.gz SJLVUGUOWOCVBQ-GFCCVEGCSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1ncnn1C(C)(C)C ZINC001575012005 950874647 /nfs/dbraw/zinc/87/46/47/950874647.db2.gz VQJRAUGONYQNMF-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1ncnn1C(C)(C)C ZINC001575012005 950874656 /nfs/dbraw/zinc/87/46/56/950874656.db2.gz VQJRAUGONYQNMF-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CN(C)C(=O)c1nccn2ccnc12)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574768032 950879796 /nfs/dbraw/zinc/87/97/96/950879796.db2.gz WVXNVXDXOXOTJN-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CN(C)C(=O)c1nccn2ccnc12)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574768032 950879818 /nfs/dbraw/zinc/87/98/18/950879818.db2.gz WVXNVXDXOXOTJN-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)n1 ZINC001573893437 950883652 /nfs/dbraw/zinc/88/36/52/950883652.db2.gz FZOQHDPFRKYTHJ-NSHDSACASA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)n1 ZINC001573893437 950883667 /nfs/dbraw/zinc/88/36/67/950883667.db2.gz FZOQHDPFRKYTHJ-NSHDSACASA-N -1 3 382.432 0.617 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1cncn1C ZINC001575935474 950883877 /nfs/dbraw/zinc/88/38/77/950883877.db2.gz WYQPKJURBOSKTE-IINYFYTJSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1cncn1C ZINC001575935474 950883898 /nfs/dbraw/zinc/88/38/98/950883898.db2.gz WYQPKJURBOSKTE-IINYFYTJSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nnn(C(C)(C)C)n1 ZINC001575012388 950887881 /nfs/dbraw/zinc/88/78/81/950887881.db2.gz ZJYPSZPWPNMXPB-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nnn(C(C)(C)C)n1 ZINC001575012388 950887887 /nfs/dbraw/zinc/88/78/87/950887887.db2.gz ZJYPSZPWPNMXPB-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576226521 950888478 /nfs/dbraw/zinc/88/84/78/950888478.db2.gz BZRVCIABKUSZMQ-SMDDNHRTSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576226521 950888494 /nfs/dbraw/zinc/88/84/94/950888494.db2.gz BZRVCIABKUSZMQ-SMDDNHRTSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576226759 950888842 /nfs/dbraw/zinc/88/88/42/950888842.db2.gz ANQDBYYSUMLCMI-MFKMUULPSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576226759 950888861 /nfs/dbraw/zinc/88/88/61/950888861.db2.gz ANQDBYYSUMLCMI-MFKMUULPSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574768571 950889936 /nfs/dbraw/zinc/88/99/36/950889936.db2.gz ZHOPBCDIWWEIOB-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768571 950889953 /nfs/dbraw/zinc/88/99/53/950889953.db2.gz ZHOPBCDIWWEIOB-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893602 950894921 /nfs/dbraw/zinc/89/49/21/950894921.db2.gz MWXRPWYCHASMMB-XYPYZODXSA-N -1 3 383.420 0.376 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893602 950894926 /nfs/dbraw/zinc/89/49/26/950894926.db2.gz MWXRPWYCHASMMB-XYPYZODXSA-N -1 3 383.420 0.376 20 0 GCADHM C[C@@H](CN(C)CC(=O)Nc1ccccc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574768670 950896856 /nfs/dbraw/zinc/89/68/56/950896856.db2.gz VBGVOCGQUNJNIS-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@@H](CN(C)CC(=O)Nc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768670 950896868 /nfs/dbraw/zinc/89/68/68/950896868.db2.gz VBGVOCGQUNJNIS-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576226916 950897637 /nfs/dbraw/zinc/89/76/37/950897637.db2.gz DCRFODNWYGYKMZ-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576226916 950897663 /nfs/dbraw/zinc/89/76/63/950897663.db2.gz DCRFODNWYGYKMZ-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575935865 950898210 /nfs/dbraw/zinc/89/82/10/950898210.db2.gz BKXINPISEAAKFZ-CMPLNLGQSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575935865 950898227 /nfs/dbraw/zinc/89/82/27/950898227.db2.gz BKXINPISEAAKFZ-CMPLNLGQSA-N -1 3 381.400 0.566 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001573893763 950902195 /nfs/dbraw/zinc/90/21/95/950902195.db2.gz VDORTHJFPXIWET-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001573893763 950902207 /nfs/dbraw/zinc/90/22/07/950902207.db2.gz VDORTHJFPXIWET-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM CC(C)(C)n1nnc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001573893829 950902648 /nfs/dbraw/zinc/90/26/48/950902648.db2.gz YPHHTHSUPKDRIM-UHFFFAOYSA-N -1 3 388.461 0.284 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001575014497 950904105 /nfs/dbraw/zinc/90/41/05/950904105.db2.gz GJEPTTZMYHZDED-JTQLQIEISA-N -1 3 384.400 0.163 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573893767 950904313 /nfs/dbraw/zinc/90/43/13/950904313.db2.gz VOEIARXWNAGPHM-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573893767 950904326 /nfs/dbraw/zinc/90/43/26/950904326.db2.gz VOEIARXWNAGPHM-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001575014497 950904124 /nfs/dbraw/zinc/90/41/24/950904124.db2.gz GJEPTTZMYHZDED-JTQLQIEISA-N -1 3 384.400 0.163 20 0 GCADHM CC(C)(CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573893775 950905547 /nfs/dbraw/zinc/90/55/47/950905547.db2.gz VXIASDPRJATRJQ-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573893775 950905569 /nfs/dbraw/zinc/90/55/69/950905569.db2.gz VXIASDPRJATRJQ-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001573893875 950909435 /nfs/dbraw/zinc/90/94/35/950909435.db2.gz AECUNIZSCSJVMA-GFCCVEGCSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001573893875 950909450 /nfs/dbraw/zinc/90/94/50/950909450.db2.gz AECUNIZSCSJVMA-GFCCVEGCSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCn1cc(Cl)cn1 ZINC001575014562 950909532 /nfs/dbraw/zinc/90/95/32/950909532.db2.gz HFYFRFLXWFBLJL-VIFPVBQESA-N -1 3 391.823 0.370 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCn1cc(Cl)cn1 ZINC001575014562 950909547 /nfs/dbraw/zinc/90/95/47/950909547.db2.gz HFYFRFLXWFBLJL-VIFPVBQESA-N -1 3 391.823 0.370 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(Cl)cn1C ZINC001575014779 950913379 /nfs/dbraw/zinc/91/33/79/950913379.db2.gz JAOVCXRNVOIOTR-QMMMGPOBSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(Cl)cn1C ZINC001575014779 950913397 /nfs/dbraw/zinc/91/33/97/950913397.db2.gz JAOVCXRNVOIOTR-QMMMGPOBSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCc1ccncc1 ZINC001575014776 950913680 /nfs/dbraw/zinc/91/36/80/950913680.db2.gz JAJAZHCUYIOMLH-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCc1ccncc1 ZINC001575014776 950913693 /nfs/dbraw/zinc/91/36/93/950913693.db2.gz JAJAZHCUYIOMLH-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575014782 950915085 /nfs/dbraw/zinc/91/50/85/950915085.db2.gz JEFAPPYNKYFRMT-KGYLQXTDSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575014782 950915091 /nfs/dbraw/zinc/91/50/91/950915091.db2.gz JEFAPPYNKYFRMT-KGYLQXTDSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCc1cccnc1 ZINC001575014978 950920871 /nfs/dbraw/zinc/92/08/71/950920871.db2.gz KROYDLMBSDBTHC-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCc1cccnc1 ZINC001575014978 950920885 /nfs/dbraw/zinc/92/08/85/950920885.db2.gz KROYDLMBSDBTHC-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001573894174 950921823 /nfs/dbraw/zinc/92/18/23/950921823.db2.gz PHYVUBORFMEVAW-LBPRGKRZSA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001573894174 950921835 /nfs/dbraw/zinc/92/18/35/950921835.db2.gz PHYVUBORFMEVAW-LBPRGKRZSA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574190862 950922782 /nfs/dbraw/zinc/92/27/82/950922782.db2.gz DEWRGOWQGLNJSP-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574190862 950922798 /nfs/dbraw/zinc/92/27/98/950922798.db2.gz DEWRGOWQGLNJSP-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001573894158 950923990 /nfs/dbraw/zinc/92/39/90/950923990.db2.gz OASFJICIRVJVML-LLVKDONJSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001573894158 950924012 /nfs/dbraw/zinc/92/40/12/950924012.db2.gz OASFJICIRVJVML-LLVKDONJSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576227909 950923980 /nfs/dbraw/zinc/92/39/80/950923980.db2.gz FMSZRUNCOVVUJP-GWCFXTLKSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576227909 950923999 /nfs/dbraw/zinc/92/39/99/950923999.db2.gz FMSZRUNCOVVUJP-GWCFXTLKSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576227910 950925981 /nfs/dbraw/zinc/92/59/81/950925981.db2.gz FMSZRUNCOVVUJP-GXFFZTMASA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576227910 950925990 /nfs/dbraw/zinc/92/59/90/950925990.db2.gz FMSZRUNCOVVUJP-GXFFZTMASA-N -1 3 391.407 0.290 20 0 GCADHM CC(C)(C)n1cc(CN[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001573894458 950927154 /nfs/dbraw/zinc/92/71/54/950927154.db2.gz SDTVLWAWBXGLBV-LLVKDONJSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COc1cccc(F)c1 ZINC001575015287 950929677 /nfs/dbraw/zinc/92/96/77/950929677.db2.gz ONENDKKISDYAPS-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COc1cccc(F)c1 ZINC001575015287 950929698 /nfs/dbraw/zinc/92/96/98/950929698.db2.gz ONENDKKISDYAPS-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001573894744 950938924 /nfs/dbraw/zinc/93/89/24/950938924.db2.gz ZGFGMNMUEGWRMS-NSHDSACASA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001573894744 950938938 /nfs/dbraw/zinc/93/89/38/950938938.db2.gz ZGFGMNMUEGWRMS-NSHDSACASA-N -1 3 382.432 0.617 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1c(F)cccc1F ZINC001575015534 950939331 /nfs/dbraw/zinc/93/93/31/950939331.db2.gz SLXAGLJEFPHEDJ-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1c(F)cccc1F ZINC001575015534 950939344 /nfs/dbraw/zinc/93/93/44/950939344.db2.gz SLXAGLJEFPHEDJ-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575937168 950942373 /nfs/dbraw/zinc/94/23/73/950942373.db2.gz JKUVIXLZKVPSRR-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575937168 950942399 /nfs/dbraw/zinc/94/23/99/950942399.db2.gz JKUVIXLZKVPSRR-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)(CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573895970 950942954 /nfs/dbraw/zinc/94/29/54/950942954.db2.gz FSUWRNNQUOTRKZ-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573895970 950942967 /nfs/dbraw/zinc/94/29/67/950942967.db2.gz FSUWRNNQUOTRKZ-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576228550 950944554 /nfs/dbraw/zinc/94/45/54/950944554.db2.gz KPEMHXGONGTERT-QWRGUYRKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576228550 950944565 /nfs/dbraw/zinc/94/45/65/950944565.db2.gz KPEMHXGONGTERT-QWRGUYRKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575937343 950948540 /nfs/dbraw/zinc/94/85/40/950948540.db2.gz KIMMVZUMHSTVGN-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575937343 950948558 /nfs/dbraw/zinc/94/85/58/950948558.db2.gz KIMMVZUMHSTVGN-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001575015755 950950629 /nfs/dbraw/zinc/95/06/29/950950629.db2.gz WESFFROJZITAIR-ZUZCIYMTSA-N -1 3 381.396 0.433 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001575015755 950950650 /nfs/dbraw/zinc/95/06/50/950950650.db2.gz WESFFROJZITAIR-ZUZCIYMTSA-N -1 3 381.396 0.433 20 0 GCADHM CC(C)(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573897193 950957840 /nfs/dbraw/zinc/95/78/40/950957840.db2.gz LRQWIJGAPAWZPR-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573897193 950957851 /nfs/dbraw/zinc/95/78/51/950957851.db2.gz LRQWIJGAPAWZPR-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCc2cccnc21 ZINC001575016006 950959671 /nfs/dbraw/zinc/95/96/71/950959671.db2.gz ZUWXQHMSUWSDCO-PWSUYJOCSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCc2cccnc21 ZINC001575016006 950959691 /nfs/dbraw/zinc/95/96/91/950959691.db2.gz ZUWXQHMSUWSDCO-PWSUYJOCSA-N -1 3 380.412 0.554 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573897450 950961747 /nfs/dbraw/zinc/96/17/47/950961747.db2.gz POGFPHCRBHXYEI-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573897450 950961762 /nfs/dbraw/zinc/96/17/62/950961762.db2.gz POGFPHCRBHXYEI-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC1CC(C(=O)N(C)C[C@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575937919 950962201 /nfs/dbraw/zinc/96/22/01/950962201.db2.gz HIXBBEYLYZNVNY-XIVSLSHWSA-N -1 3 375.433 0.132 20 0 GCADHM CC1CC(C(=O)N(C)C[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575937919 950962239 /nfs/dbraw/zinc/96/22/39/950962239.db2.gz HIXBBEYLYZNVNY-XIVSLSHWSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnc(N(C)C)c1 ZINC001575016917 950962353 /nfs/dbraw/zinc/96/23/53/950962353.db2.gz CMZAPUABFBHTGF-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnc(N(C)C)c1 ZINC001575016917 950962365 /nfs/dbraw/zinc/96/23/65/950962365.db2.gz CMZAPUABFBHTGF-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM CC(C)(CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573897774 950964558 /nfs/dbraw/zinc/96/45/58/950964558.db2.gz RTYWGSOPMCBINE-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573897774 950964574 /nfs/dbraw/zinc/96/45/74/950964574.db2.gz RTYWGSOPMCBINE-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1ccn(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574529879 950966299 /nfs/dbraw/zinc/96/62/99/950966299.db2.gz BBAGAJKRSJLCEC-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1ccn(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574529879 950966313 /nfs/dbraw/zinc/96/63/13/950966313.db2.gz BBAGAJKRSJLCEC-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1nc[nH]n1 ZINC001575937992 950968238 /nfs/dbraw/zinc/96/82/38/950968238.db2.gz IEPHXYYYBANKNC-NTSWFWBYSA-N -1 3 380.825 0.810 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575643533 950972056 /nfs/dbraw/zinc/97/20/56/950972056.db2.gz MUSBKKPOBIGGDR-OLZOCXBDSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575643533 950972072 /nfs/dbraw/zinc/97/20/72/950972072.db2.gz MUSBKKPOBIGGDR-OLZOCXBDSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576229518 950973437 /nfs/dbraw/zinc/97/34/37/950973437.db2.gz KAJKOLBFPHNWIG-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576229518 950973456 /nfs/dbraw/zinc/97/34/56/950973456.db2.gz KAJKOLBFPHNWIG-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CO1 ZINC001575938364 950978171 /nfs/dbraw/zinc/97/81/71/950978171.db2.gz KLOATVCNWLSJKY-AAEUAGOBSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CO1 ZINC001575938364 950978192 /nfs/dbraw/zinc/97/81/92/950978192.db2.gz KLOATVCNWLSJKY-AAEUAGOBSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CO1 ZINC001575938369 950978799 /nfs/dbraw/zinc/97/87/99/950978799.db2.gz KLOATVCNWLSJKY-YPMHNXCESA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CO1 ZINC001575938369 950978823 /nfs/dbraw/zinc/97/88/23/950978823.db2.gz KLOATVCNWLSJKY-YPMHNXCESA-N -1 3 375.433 0.540 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCO2 ZINC001575643875 950979438 /nfs/dbraw/zinc/97/94/38/950979438.db2.gz PUFGWDCYNSGFHE-GFCCVEGCSA-N -1 3 385.428 0.294 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001575643875 950979454 /nfs/dbraw/zinc/97/94/54/950979454.db2.gz PUFGWDCYNSGFHE-GFCCVEGCSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575017280 950985441 /nfs/dbraw/zinc/98/54/41/950985441.db2.gz CNGJUOLEOFUUJZ-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575017280 950985457 /nfs/dbraw/zinc/98/54/57/950985457.db2.gz CNGJUOLEOFUUJZ-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)Cn1ccccc1=O ZINC001575938507 950985973 /nfs/dbraw/zinc/98/59/73/950985973.db2.gz OLQDDWIUCISWCU-JSGCOSHPSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)Cn1ccccc1=O ZINC001575938507 950985987 /nfs/dbraw/zinc/98/59/87/950985987.db2.gz OLQDDWIUCISWCU-JSGCOSHPSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575017415 950996511 /nfs/dbraw/zinc/99/65/11/950996511.db2.gz FOLBBHYWKWDOQR-SSDOTTSWSA-N -1 3 375.780 0.641 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575017415 950996529 /nfs/dbraw/zinc/99/65/29/950996529.db2.gz FOLBBHYWKWDOQR-SSDOTTSWSA-N -1 3 375.780 0.641 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C1CC1 ZINC001573900176 950998231 /nfs/dbraw/zinc/99/82/31/950998231.db2.gz STINVBNWOXCOIP-KGLIPLIRSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C1CC1 ZINC001573900176 950998240 /nfs/dbraw/zinc/99/82/40/950998240.db2.gz STINVBNWOXCOIP-KGLIPLIRSA-N -1 3 389.435 0.893 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575017630 951004978 /nfs/dbraw/zinc/00/49/78/951004978.db2.gz ICLQKLKUXGVHOF-VIFPVBQESA-N -1 3 386.391 0.688 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575017630 951005001 /nfs/dbraw/zinc/00/50/01/951005001.db2.gz ICLQKLKUXGVHOF-VIFPVBQESA-N -1 3 386.391 0.688 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575017634 951005673 /nfs/dbraw/zinc/00/56/73/951005673.db2.gz IEFNWUWENDYUSA-VIFPVBQESA-N -1 3 388.819 0.844 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575017634 951005692 /nfs/dbraw/zinc/00/56/92/951005692.db2.gz IEFNWUWENDYUSA-VIFPVBQESA-N -1 3 388.819 0.844 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CO1 ZINC001575939260 951006387 /nfs/dbraw/zinc/00/63/87/951006387.db2.gz PKIJHZXGCCVFAC-NEPJUHHUSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CO1 ZINC001575939260 951006399 /nfs/dbraw/zinc/00/63/99/951006399.db2.gz PKIJHZXGCCVFAC-NEPJUHHUSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001575017773 951013171 /nfs/dbraw/zinc/01/31/71/951013171.db2.gz NEQKDOCTJVRFKL-VIFPVBQESA-N -1 3 383.416 0.345 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575018117 951014293 /nfs/dbraw/zinc/01/42/93/951014293.db2.gz KUWSRAYQAMQZBW-LLVKDONJSA-N -1 3 380.412 0.615 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575018117 951014309 /nfs/dbraw/zinc/01/43/09/951014309.db2.gz KUWSRAYQAMQZBW-LLVKDONJSA-N -1 3 380.412 0.615 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnc(C2CC2)n1 ZINC001575018300 951018670 /nfs/dbraw/zinc/01/86/70/951018670.db2.gz PGHNCMOIPGMIEL-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnc(C2CC2)n1 ZINC001575018300 951018678 /nfs/dbraw/zinc/01/86/78/951018678.db2.gz PGHNCMOIPGMIEL-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575019469 951038789 /nfs/dbraw/zinc/03/87/89/951038789.db2.gz TYOBBIUDIHGOKO-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575019469 951038805 /nfs/dbraw/zinc/03/88/05/951038805.db2.gz TYOBBIUDIHGOKO-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575019830 951049064 /nfs/dbraw/zinc/04/90/64/951049064.db2.gz WBFHALYCJMSQLQ-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575019830 951049078 /nfs/dbraw/zinc/04/90/78/951049078.db2.gz WBFHALYCJMSQLQ-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnn1C(F)F ZINC001575020418 951058247 /nfs/dbraw/zinc/05/82/47/951058247.db2.gz ZGGHPQLRLQLNFR-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnn1C(F)F ZINC001575020418 951058261 /nfs/dbraw/zinc/05/82/61/951058261.db2.gz ZGGHPQLRLQLNFR-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM CCOC(=O)c1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c(F)c1 ZINC001591176382 951087523 /nfs/dbraw/zinc/08/75/23/951087523.db2.gz MOINRBOKHOBLPC-UHFFFAOYSA-N -1 3 388.417 0.830 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)o1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575024018 951089881 /nfs/dbraw/zinc/08/98/81/951089881.db2.gz URRSMVOYDWFWMP-QMMMGPOBSA-N -1 3 388.363 0.571 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)o1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575024018 951089895 /nfs/dbraw/zinc/08/98/95/951089895.db2.gz URRSMVOYDWFWMP-QMMMGPOBSA-N -1 3 388.363 0.571 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575024131 951093664 /nfs/dbraw/zinc/09/36/64/951093664.db2.gz VYEPUHNKLREQHA-SECBINFHSA-N -1 3 386.441 0.677 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575024131 951093678 /nfs/dbraw/zinc/09/36/78/951093678.db2.gz VYEPUHNKLREQHA-SECBINFHSA-N -1 3 386.441 0.677 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(Cl)[nH]1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575024281 951100012 /nfs/dbraw/zinc/10/00/12/951100012.db2.gz ZRYIFKAODCCWTK-MRVPVSSYSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(Cl)[nH]1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575024281 951100019 /nfs/dbraw/zinc/10/00/19/951100019.db2.gz ZRYIFKAODCCWTK-MRVPVSSYSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575024651 951109777 /nfs/dbraw/zinc/10/97/77/951109777.db2.gz JZKNGXVZDWYZQD-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575024651 951109791 /nfs/dbraw/zinc/10/97/91/951109791.db2.gz JZKNGXVZDWYZQD-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575025128 951125353 /nfs/dbraw/zinc/12/53/53/951125353.db2.gz VMXNVTARBQCCDX-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575025128 951125355 /nfs/dbraw/zinc/12/53/55/951125355.db2.gz VMXNVTARBQCCDX-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575025112 951125364 /nfs/dbraw/zinc/12/53/64/951125364.db2.gz VCXUFVZZVKXUFP-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575025112 951125367 /nfs/dbraw/zinc/12/53/67/951125367.db2.gz VCXUFVZZVKXUFP-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nc[nH]c2n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575026413 951142758 /nfs/dbraw/zinc/14/27/58/951142758.db2.gz JFLSZKSWELPIQB-SNVBAGLBSA-N -1 3 378.400 0.788 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nc[nH]c2n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575026413 951142765 /nfs/dbraw/zinc/14/27/65/951142765.db2.gz JFLSZKSWELPIQB-SNVBAGLBSA-N -1 3 378.400 0.788 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nnnn2c1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575026735 951145517 /nfs/dbraw/zinc/14/55/17/951145517.db2.gz MSPXHMPWQJPNHI-SNVBAGLBSA-N -1 3 379.388 0.177 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nnnn2c1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575026735 951145523 /nfs/dbraw/zinc/14/55/23/951145523.db2.gz MSPXHMPWQJPNHI-SNVBAGLBSA-N -1 3 379.388 0.177 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)CNc1ncccc1-c1nnn[n-]1 ZINC001575026630 951145649 /nfs/dbraw/zinc/14/56/49/951145649.db2.gz LLUQHOZECVYZDM-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)CNc1ncccc1-c1nn[n-]n1 ZINC001575026630 951145653 /nfs/dbraw/zinc/14/56/53/951145653.db2.gz LLUQHOZECVYZDM-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nnn(C)c2c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575026634 951145915 /nfs/dbraw/zinc/14/59/15/951145915.db2.gz LMPDNXKHZSDYNF-NSHDSACASA-N -1 3 392.427 0.798 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nnn(C)c2c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575026634 951145918 /nfs/dbraw/zinc/14/59/18/951145918.db2.gz LMPDNXKHZSDYNF-NSHDSACASA-N -1 3 392.427 0.798 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575031624 951198950 /nfs/dbraw/zinc/19/89/50/951198950.db2.gz FNAPFCYXIUWGBB-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575031624 951198960 /nfs/dbraw/zinc/19/89/60/951198960.db2.gz FNAPFCYXIUWGBB-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575031647 951199233 /nfs/dbraw/zinc/19/92/33/951199233.db2.gz GANIOUVIFGOPDU-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575031647 951199238 /nfs/dbraw/zinc/19/92/38/951199238.db2.gz GANIOUVIFGOPDU-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@](CNC(=O)c1ccccn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575031692 951202563 /nfs/dbraw/zinc/20/25/63/951202563.db2.gz HDVNTQKHNPBUMG-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1ccccn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575031692 951202570 /nfs/dbraw/zinc/20/25/70/951202570.db2.gz HDVNTQKHNPBUMG-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CNC(=O)c1ccnc2n[nH]nc21)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575033933 951232095 /nfs/dbraw/zinc/23/20/95/951232095.db2.gz DYTWCPGEUGVJKY-VIFPVBQESA-N -1 3 379.388 0.406 20 0 GCADHM C[C@H](CNC(=O)c1ccnc2n[nH]nc21)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575033933 951232101 /nfs/dbraw/zinc/23/21/01/951232101.db2.gz DYTWCPGEUGVJKY-VIFPVBQESA-N -1 3 379.388 0.406 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575034337 951244161 /nfs/dbraw/zinc/24/41/61/951244161.db2.gz ASIKOUHQUWTKFH-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575034337 951244177 /nfs/dbraw/zinc/24/41/77/951244177.db2.gz ASIKOUHQUWTKFH-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575034722 951255683 /nfs/dbraw/zinc/25/56/83/951255683.db2.gz CJPUJGXWNFPLQE-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575034722 951255695 /nfs/dbraw/zinc/25/56/95/951255695.db2.gz CJPUJGXWNFPLQE-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575035564 951278721 /nfs/dbraw/zinc/27/87/21/951278721.db2.gz XRELISQYIPZWNT-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575035564 951278738 /nfs/dbraw/zinc/27/87/38/951278738.db2.gz XRELISQYIPZWNT-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575035814 951281499 /nfs/dbraw/zinc/28/14/99/951281499.db2.gz MCUKCXBMSILVLZ-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575035814 951281510 /nfs/dbraw/zinc/28/15/10/951281510.db2.gz MCUKCXBMSILVLZ-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575036312 951291017 /nfs/dbraw/zinc/29/10/17/951291017.db2.gz RBQQCCFWWNVNSA-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575036312 951291029 /nfs/dbraw/zinc/29/10/29/951291029.db2.gz RBQQCCFWWNVNSA-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575036339 951291183 /nfs/dbraw/zinc/29/11/83/951291183.db2.gz RKURLQSXOPWOAM-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575036339 951291199 /nfs/dbraw/zinc/29/11/99/951291199.db2.gz RKURLQSXOPWOAM-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575036844 951301980 /nfs/dbraw/zinc/30/19/80/951301980.db2.gz XOZMWNJUDOZYEB-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575036844 951301991 /nfs/dbraw/zinc/30/19/91/951301991.db2.gz XOZMWNJUDOZYEB-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575037508 951304523 /nfs/dbraw/zinc/30/45/23/951304523.db2.gz AAMUOGNHAVDHRG-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575037508 951304536 /nfs/dbraw/zinc/30/45/36/951304536.db2.gz AAMUOGNHAVDHRG-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575037623 951309529 /nfs/dbraw/zinc/30/95/29/951309529.db2.gz BUSOODPDBQMOPQ-JTQLQIEISA-N -1 3 384.400 0.361 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575037623 951309542 /nfs/dbraw/zinc/30/95/42/951309542.db2.gz BUSOODPDBQMOPQ-JTQLQIEISA-N -1 3 384.400 0.361 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575038537 951321939 /nfs/dbraw/zinc/32/19/39/951321939.db2.gz JVBOMUMDVIXMCS-QMMMGPOBSA-N -1 3 388.363 0.252 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575038537 951321950 /nfs/dbraw/zinc/32/19/50/951321950.db2.gz JVBOMUMDVIXMCS-QMMMGPOBSA-N -1 3 388.363 0.252 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575039162 951329674 /nfs/dbraw/zinc/32/96/74/951329674.db2.gz OBYQYEPICFWLBQ-SNVBAGLBSA-N -1 3 384.400 0.361 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575039162 951329688 /nfs/dbraw/zinc/32/96/88/951329688.db2.gz OBYQYEPICFWLBQ-SNVBAGLBSA-N -1 3 384.400 0.361 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575041785 951347622 /nfs/dbraw/zinc/34/76/22/951347622.db2.gz CEFPKIFWISOFMJ-NSHDSACASA-N -1 3 387.469 0.877 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC001575041785 951347636 /nfs/dbraw/zinc/34/76/36/951347636.db2.gz CEFPKIFWISOFMJ-NSHDSACASA-N -1 3 387.469 0.877 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575041739 951349715 /nfs/dbraw/zinc/34/97/15/951349715.db2.gz ASXPBIPAUDGHLL-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575041739 951349728 /nfs/dbraw/zinc/34/97/28/951349728.db2.gz ASXPBIPAUDGHLL-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575042975 951375802 /nfs/dbraw/zinc/37/58/02/951375802.db2.gz FAGXJQWCZJBIAS-LLVKDONJSA-N -1 3 383.416 0.243 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575042975 951375813 /nfs/dbraw/zinc/37/58/13/951375813.db2.gz FAGXJQWCZJBIAS-LLVKDONJSA-N -1 3 383.416 0.243 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CN[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001602869870 971741456 /nfs/dbraw/zinc/74/14/56/971741456.db2.gz HGWWEEUJZBCAPP-GFCCVEGCSA-N -1 3 375.491 0.292 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575043347 951388747 /nfs/dbraw/zinc/38/87/47/951388747.db2.gz QSMMPRCQHFBWDK-YFKPBYRVSA-N -1 3 383.825 0.646 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575043651 951401040 /nfs/dbraw/zinc/40/10/40/951401040.db2.gz LLFLDFRWGBFVEY-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575043651 951401047 /nfs/dbraw/zinc/40/10/47/951401047.db2.gz LLFLDFRWGBFVEY-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575043576 951401309 /nfs/dbraw/zinc/40/13/09/951401309.db2.gz UYEUFSXVHSLOGY-MRVPVSSYSA-N -1 3 391.823 0.832 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575043976 951406014 /nfs/dbraw/zinc/40/60/14/951406014.db2.gz NKXCMZPYBACAMQ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575043976 951406021 /nfs/dbraw/zinc/40/60/21/951406021.db2.gz NKXCMZPYBACAMQ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575043979 951406518 /nfs/dbraw/zinc/40/65/18/951406518.db2.gz NKXCMZPYBACAMQ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575043979 951406525 /nfs/dbraw/zinc/40/65/25/951406525.db2.gz NKXCMZPYBACAMQ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCC2)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044275 951409894 /nfs/dbraw/zinc/40/98/94/951409894.db2.gz YLBLJPAVHOEDIZ-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCC2)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044275 951409906 /nfs/dbraw/zinc/40/99/06/951409906.db2.gz YLBLJPAVHOEDIZ-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044783 951417072 /nfs/dbraw/zinc/41/70/72/951417072.db2.gz UZUDWLDIIMFSLT-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044783 951417082 /nfs/dbraw/zinc/41/70/82/951417082.db2.gz UZUDWLDIIMFSLT-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575044796 951417424 /nfs/dbraw/zinc/41/74/24/951417424.db2.gz VGSBWAXMUBUGLL-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575044796 951417431 /nfs/dbraw/zinc/41/74/31/951417431.db2.gz VGSBWAXMUBUGLL-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ncccc1-c1nnn[n-]1 ZINC001575044872 951420153 /nfs/dbraw/zinc/42/01/53/951420153.db2.gz WITBGJJPAITZRZ-LLVKDONJSA-N -1 3 383.416 0.466 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ncccc1-c1nn[n-]n1 ZINC001575044872 951420162 /nfs/dbraw/zinc/42/01/62/951420162.db2.gz WITBGJJPAITZRZ-LLVKDONJSA-N -1 3 383.416 0.466 20 0 GCADHM C[C@@](CNC(=O)c1cncnc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575045428 951428390 /nfs/dbraw/zinc/42/83/90/951428390.db2.gz CESTWYBKARCOGG-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cncnc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575045428 951428391 /nfs/dbraw/zinc/42/83/91/951428391.db2.gz CESTWYBKARCOGG-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1cncn1C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575046207 951437889 /nfs/dbraw/zinc/43/78/89/951437889.db2.gz LBFOAVCNSJXANP-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cncn1C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575046207 951437896 /nfs/dbraw/zinc/43/78/96/951437896.db2.gz LBFOAVCNSJXANP-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cncn1C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575046206 951439183 /nfs/dbraw/zinc/43/91/83/951439183.db2.gz LBFOAVCNSJXANP-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cncn1C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575046206 951439186 /nfs/dbraw/zinc/43/91/86/951439186.db2.gz LBFOAVCNSJXANP-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cncc2[nH]cnc21)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575046433 951441135 /nfs/dbraw/zinc/44/11/35/951441135.db2.gz OCENGSUKOZOMJJ-SNVBAGLBSA-N -1 3 378.400 0.788 20 0 GCADHM C[C@@](CNC(=O)c1cnccn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575046474 951443571 /nfs/dbraw/zinc/44/35/71/951443571.db2.gz OMJXGLFWDVQWIB-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cnccn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575046474 951443576 /nfs/dbraw/zinc/44/35/76/951443576.db2.gz OMJXGLFWDVQWIB-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575047172 951455476 /nfs/dbraw/zinc/45/54/76/951455476.db2.gz YJIBRVIZDCHNGZ-NSHDSACASA-N -1 3 383.416 0.243 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575047172 951455483 /nfs/dbraw/zinc/45/54/83/951455483.db2.gz YJIBRVIZDCHNGZ-NSHDSACASA-N -1 3 383.416 0.243 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575052363 951462320 /nfs/dbraw/zinc/46/23/20/951462320.db2.gz HELLDWVGQCQGDW-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575052363 951462327 /nfs/dbraw/zinc/46/23/27/951462327.db2.gz HELLDWVGQCQGDW-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575052750 951471032 /nfs/dbraw/zinc/47/10/32/951471032.db2.gz NMIBUSWFSDWFMN-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575052750 951471044 /nfs/dbraw/zinc/47/10/44/951471044.db2.gz NMIBUSWFSDWFMN-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575052748 951472478 /nfs/dbraw/zinc/47/24/78/951472478.db2.gz NMIBUSWFSDWFMN-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575052748 951472487 /nfs/dbraw/zinc/47/24/87/951472487.db2.gz NMIBUSWFSDWFMN-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575053259 951476167 /nfs/dbraw/zinc/47/61/67/951476167.db2.gz RYMHHXFHTDUHAE-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575053259 951476172 /nfs/dbraw/zinc/47/61/72/951476172.db2.gz RYMHHXFHTDUHAE-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575053682 951480779 /nfs/dbraw/zinc/48/07/79/951480779.db2.gz COSUBRMXEMRMHV-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575053682 951480783 /nfs/dbraw/zinc/48/07/83/951480783.db2.gz COSUBRMXEMRMHV-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575053822 951486299 /nfs/dbraw/zinc/48/62/99/951486299.db2.gz FLQJWEVPMRZFBB-SECBINFHSA-N -1 3 387.379 0.610 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575053822 951486305 /nfs/dbraw/zinc/48/63/05/951486305.db2.gz FLQJWEVPMRZFBB-SECBINFHSA-N -1 3 387.379 0.610 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1N)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575054563 951494581 /nfs/dbraw/zinc/49/45/81/951494581.db2.gz YHXINXGPUPOYDC-SSDOTTSWSA-N -1 3 376.812 0.461 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1N)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575054563 951494587 /nfs/dbraw/zinc/49/45/87/951494587.db2.gz YHXINXGPUPOYDC-SSDOTTSWSA-N -1 3 376.812 0.461 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575055049 951497709 /nfs/dbraw/zinc/49/77/09/951497709.db2.gz MMOMMLRERCPGSM-NSHDSACASA-N -1 3 383.416 0.495 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575055049 951497714 /nfs/dbraw/zinc/49/77/14/951497714.db2.gz MMOMMLRERCPGSM-NSHDSACASA-N -1 3 383.416 0.495 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575055601 951509261 /nfs/dbraw/zinc/50/92/61/951509261.db2.gz YBIOFENXXHMZNI-SNVBAGLBSA-N -1 3 389.395 0.157 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575055601 951509270 /nfs/dbraw/zinc/50/92/70/951509270.db2.gz YBIOFENXXHMZNI-SNVBAGLBSA-N -1 3 389.395 0.157 20 0 GCADHM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575055937 951515004 /nfs/dbraw/zinc/51/50/04/951515004.db2.gz CRZWZRYOXQVTJF-VIFPVBQESA-N -1 3 384.400 0.684 20 0 GCADHM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575055937 951515014 /nfs/dbraw/zinc/51/50/14/951515014.db2.gz CRZWZRYOXQVTJF-VIFPVBQESA-N -1 3 384.400 0.684 20 0 GCADHM C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575061845 951561890 /nfs/dbraw/zinc/56/18/90/951561890.db2.gz PZQKFOTWQFQORI-VIFPVBQESA-N -1 3 385.407 0.867 20 0 GCADHM C[C@](CNC(=O)c1csnn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575062391 951568263 /nfs/dbraw/zinc/56/82/63/951568263.db2.gz VRXUJUBUHKXNDM-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1csnn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575062391 951568271 /nfs/dbraw/zinc/56/82/71/951568271.db2.gz VRXUJUBUHKXNDM-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575066865 951599685 /nfs/dbraw/zinc/59/96/85/951599685.db2.gz NEXPSJZABVVLAM-SNVBAGLBSA-N -1 3 385.436 0.481 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575066865 951599693 /nfs/dbraw/zinc/59/96/93/951599693.db2.gz NEXPSJZABVVLAM-SNVBAGLBSA-N -1 3 385.436 0.481 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575067578 951616947 /nfs/dbraw/zinc/61/69/47/951616947.db2.gz VXBACGMRJBDICF-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575067578 951616951 /nfs/dbraw/zinc/61/69/51/951616951.db2.gz VXBACGMRJBDICF-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575068565 951636668 /nfs/dbraw/zinc/63/66/68/951636668.db2.gz AYHBBRCCYUXNEY-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575068565 951636674 /nfs/dbraw/zinc/63/66/74/951636674.db2.gz AYHBBRCCYUXNEY-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575070681 951653510 /nfs/dbraw/zinc/65/35/10/951653510.db2.gz TXLMJHPMTLOFBC-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575070681 951653517 /nfs/dbraw/zinc/65/35/17/951653517.db2.gz TXLMJHPMTLOFBC-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575071195 951656529 /nfs/dbraw/zinc/65/65/29/951656529.db2.gz YCITUZVFUAAEIP-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575071195 951656535 /nfs/dbraw/zinc/65/65/35/951656535.db2.gz YCITUZVFUAAEIP-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@@H](CNCc1nc(C2CC2)nn1C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575118799 951986207 /nfs/dbraw/zinc/98/62/07/951986207.db2.gz TUPCGVKPKCYNMS-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H](CNCc1nnnn1C(C)(C)C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575119643 951990429 /nfs/dbraw/zinc/99/04/29/951990429.db2.gz ZNDIKMKKFBGKKE-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575121101 951992753 /nfs/dbraw/zinc/99/27/53/951992753.db2.gz BGPJKUQDVVIWIE-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575121101 951992756 /nfs/dbraw/zinc/99/27/56/951992756.db2.gz BGPJKUQDVVIWIE-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575121102 951992808 /nfs/dbraw/zinc/99/28/08/951992808.db2.gz BGPJKUQDVVIWIE-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575121102 951992810 /nfs/dbraw/zinc/99/28/10/951992810.db2.gz BGPJKUQDVVIWIE-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1nccn1C ZINC001575121187 951994955 /nfs/dbraw/zinc/99/49/55/951994955.db2.gz CVLDHCNGFAJGDA-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1nccn1C ZINC001575121187 951994960 /nfs/dbraw/zinc/99/49/60/951994960.db2.gz CVLDHCNGFAJGDA-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575121446 951996106 /nfs/dbraw/zinc/99/61/06/951996106.db2.gz DUHHMKHBGXIGSO-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575121446 951996113 /nfs/dbraw/zinc/99/61/13/951996113.db2.gz DUHHMKHBGXIGSO-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575121541 951996616 /nfs/dbraw/zinc/99/66/16/951996616.db2.gz FZDXTDCFAHQDLS-QGZVFWFLSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575121541 951996620 /nfs/dbraw/zinc/99/66/20/951996620.db2.gz FZDXTDCFAHQDLS-QGZVFWFLSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575122175 952003689 /nfs/dbraw/zinc/00/36/89/952003689.db2.gz KCRZDHNWACRKHQ-GWCFXTLKSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575122175 952003696 /nfs/dbraw/zinc/00/36/96/952003696.db2.gz KCRZDHNWACRKHQ-GWCFXTLKSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575122910 952007385 /nfs/dbraw/zinc/00/73/85/952007385.db2.gz AKENMHUOOYOCNU-SNVBAGLBSA-N -1 3 384.400 0.455 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575122910 952007393 /nfs/dbraw/zinc/00/73/93/952007393.db2.gz AKENMHUOOYOCNU-SNVBAGLBSA-N -1 3 384.400 0.455 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575123482 952015014 /nfs/dbraw/zinc/01/50/14/952015014.db2.gz DHBUMCJJCANHDM-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575123482 952015024 /nfs/dbraw/zinc/01/50/24/952015024.db2.gz DHBUMCJJCANHDM-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575124086 952021268 /nfs/dbraw/zinc/02/12/68/952021268.db2.gz GCHZOFBOCSVGHT-GOSISDBHSA-N -1 3 386.460 0.291 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575124086 952021281 /nfs/dbraw/zinc/02/12/81/952021281.db2.gz GCHZOFBOCSVGHT-GOSISDBHSA-N -1 3 386.460 0.291 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575124588 952032882 /nfs/dbraw/zinc/03/28/82/952032882.db2.gz UXWBCZDVEBRPKA-WCQYABFASA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575124588 952032890 /nfs/dbraw/zinc/03/28/90/952032890.db2.gz UXWBCZDVEBRPKA-WCQYABFASA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575124617 952033539 /nfs/dbraw/zinc/03/35/39/952033539.db2.gz VJIOVRJHSODWGN-ZMZPIMSZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575124617 952033549 /nfs/dbraw/zinc/03/35/49/952033549.db2.gz VJIOVRJHSODWGN-ZMZPIMSZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575125276 952042286 /nfs/dbraw/zinc/04/22/86/952042286.db2.gz NXEKTCOEACTLJR-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575125276 952042294 /nfs/dbraw/zinc/04/22/94/952042294.db2.gz NXEKTCOEACTLJR-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575126441 952051200 /nfs/dbraw/zinc/05/12/00/952051200.db2.gz RUOADFIXAVTVFA-KRWDZBQOSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575126441 952051212 /nfs/dbraw/zinc/05/12/12/952051212.db2.gz RUOADFIXAVTVFA-KRWDZBQOSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575127342 952057075 /nfs/dbraw/zinc/05/70/75/952057075.db2.gz XXUHJELIKHXBLU-NEPJUHHUSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575127342 952057084 /nfs/dbraw/zinc/05/70/84/952057084.db2.gz XXUHJELIKHXBLU-NEPJUHHUSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1noc2c1COCC2 ZINC001575127949 952062063 /nfs/dbraw/zinc/06/20/63/952062063.db2.gz DPARQBMWZDGDCA-SNVBAGLBSA-N -1 3 384.400 0.895 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1noc2c1COCC2 ZINC001575127949 952062071 /nfs/dbraw/zinc/06/20/71/952062071.db2.gz DPARQBMWZDGDCA-SNVBAGLBSA-N -1 3 384.400 0.895 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575127892 952062570 /nfs/dbraw/zinc/06/25/70/952062570.db2.gz DDYRCYRTEQPKNI-INIZCTEOSA-N -1 3 382.388 0.163 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575128622 952069985 /nfs/dbraw/zinc/06/99/85/952069985.db2.gz KLWGYSVUTPZKGH-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575128622 952069988 /nfs/dbraw/zinc/06/99/88/952069988.db2.gz KLWGYSVUTPZKGH-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575129663 952084862 /nfs/dbraw/zinc/08/48/62/952084862.db2.gz YGVVLMKKAKQKOG-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575129663 952084870 /nfs/dbraw/zinc/08/48/70/952084870.db2.gz YGVVLMKKAKQKOG-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575132812 952098055 /nfs/dbraw/zinc/09/80/55/952098055.db2.gz BKZYLQQRULOCFE-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575132812 952098064 /nfs/dbraw/zinc/09/80/64/952098064.db2.gz BKZYLQQRULOCFE-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575133294 952102625 /nfs/dbraw/zinc/10/26/25/952102625.db2.gz DJHXLVNXZKYOLG-QGZVFWFLSA-N -1 3 385.407 0.994 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575133294 952102629 /nfs/dbraw/zinc/10/26/29/952102629.db2.gz DJHXLVNXZKYOLG-QGZVFWFLSA-N -1 3 385.407 0.994 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575136464 952126573 /nfs/dbraw/zinc/12/65/73/952126573.db2.gz VKZJXXFTKCKWTM-OAHLLOKOSA-N -1 3 387.429 0.829 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CN1CCOCC1 ZINC001575136869 952129576 /nfs/dbraw/zinc/12/95/76/952129576.db2.gz QJGSBHCARATKCJ-GFCCVEGCSA-N -1 3 377.424 0.597 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CN1CCOCC1 ZINC001575136869 952129587 /nfs/dbraw/zinc/12/95/87/952129587.db2.gz QJGSBHCARATKCJ-GFCCVEGCSA-N -1 3 377.424 0.597 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CN1CCCNC1=O ZINC001575136829 952129908 /nfs/dbraw/zinc/12/99/08/952129908.db2.gz PZDIGVVSPJVMTK-LLVKDONJSA-N -1 3 390.423 0.680 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CN1CCCNC1=O ZINC001575136829 952129912 /nfs/dbraw/zinc/12/99/12/952129912.db2.gz PZDIGVVSPJVMTK-LLVKDONJSA-N -1 3 390.423 0.680 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575137083 952133784 /nfs/dbraw/zinc/13/37/84/952133784.db2.gz TZTIOBDZZIYEHN-GWCFXTLKSA-N -1 3 375.408 0.885 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575137083 952133792 /nfs/dbraw/zinc/13/37/92/952133792.db2.gz TZTIOBDZZIYEHN-GWCFXTLKSA-N -1 3 375.408 0.885 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575137085 952134028 /nfs/dbraw/zinc/13/40/28/952134028.db2.gz TZTIOBDZZIYEHN-MFKMUULPSA-N -1 3 375.408 0.885 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575137085 952134036 /nfs/dbraw/zinc/13/40/36/952134036.db2.gz TZTIOBDZZIYEHN-MFKMUULPSA-N -1 3 375.408 0.885 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575137264 952136366 /nfs/dbraw/zinc/13/63/66/952136366.db2.gz VZJSSRGUXRJTEB-QGZVFWFLSA-N -1 3 390.423 0.761 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575137264 952136370 /nfs/dbraw/zinc/13/63/70/952136370.db2.gz VZJSSRGUXRJTEB-QGZVFWFLSA-N -1 3 390.423 0.761 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575163554 952280112 /nfs/dbraw/zinc/28/01/12/952280112.db2.gz DBZQJLKDWOUWEK-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575163554 952280118 /nfs/dbraw/zinc/28/01/18/952280118.db2.gz DBZQJLKDWOUWEK-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575163952 952284444 /nfs/dbraw/zinc/28/44/44/952284444.db2.gz AKTDNDLGXFHGMP-SFYZADRCSA-N -1 3 381.828 0.231 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575163952 952284448 /nfs/dbraw/zinc/28/44/48/952284448.db2.gz AKTDNDLGXFHGMP-SFYZADRCSA-N -1 3 381.828 0.231 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)CCCC(N)=O ZINC001575164862 952301425 /nfs/dbraw/zinc/30/14/25/952301425.db2.gz IGBHVUXPIUAPTB-VIFPVBQESA-N -1 3 380.840 0.830 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)CCCC(N)=O ZINC001575164862 952301432 /nfs/dbraw/zinc/30/14/32/952301432.db2.gz IGBHVUXPIUAPTB-VIFPVBQESA-N -1 3 380.840 0.830 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575165705 952314003 /nfs/dbraw/zinc/31/40/03/952314003.db2.gz VEYWQPYXKPXSQN-VHSXEESVSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575165705 952314009 /nfs/dbraw/zinc/31/40/09/952314009.db2.gz VEYWQPYXKPXSQN-VHSXEESVSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575165703 952314311 /nfs/dbraw/zinc/31/43/11/952314311.db2.gz VEYWQPYXKPXSQN-NXEZZACHSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575165703 952314317 /nfs/dbraw/zinc/31/43/17/952314317.db2.gz VEYWQPYXKPXSQN-NXEZZACHSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@@H](CNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1)S(N)(=O)=O ZINC001575165721 952314743 /nfs/dbraw/zinc/31/47/43/952314743.db2.gz VNINQQMZKDUPMN-VIFPVBQESA-N -1 3 376.402 0.538 20 0 GCADHM C[C@@H](CNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1)S(N)(=O)=O ZINC001575165721 952314751 /nfs/dbraw/zinc/31/47/51/952314751.db2.gz VNINQQMZKDUPMN-VIFPVBQESA-N -1 3 376.402 0.538 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575166177 952322104 /nfs/dbraw/zinc/32/21/04/952322104.db2.gz YXGUBUXPKYKYOK-SFHVURJKSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575166177 952322112 /nfs/dbraw/zinc/32/21/12/952322112.db2.gz YXGUBUXPKYKYOK-SFHVURJKSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575166469 952325238 /nfs/dbraw/zinc/32/52/38/952325238.db2.gz WKJCKGGHYRUJKB-VHSXEESVSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575166469 952325246 /nfs/dbraw/zinc/32/52/46/952325246.db2.gz WKJCKGGHYRUJKB-VHSXEESVSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)CCCC(N)=O)C1CC1 ZINC001575166696 952325693 /nfs/dbraw/zinc/32/56/93/952325693.db2.gz XKMCCGBRIQOIAN-KRWDZBQOSA-N -1 3 390.423 0.753 20 0 GCADHM C[C@@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)CCCC(N)=O)C1CC1 ZINC001575166696 952325701 /nfs/dbraw/zinc/32/57/01/952325701.db2.gz XKMCCGBRIQOIAN-KRWDZBQOSA-N -1 3 390.423 0.753 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575166408 952326356 /nfs/dbraw/zinc/32/63/56/952326356.db2.gz VWBZVPHLDZNGAB-QMMMGPOBSA-N -1 3 389.807 0.571 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575166408 952326365 /nfs/dbraw/zinc/32/63/65/952326365.db2.gz VWBZVPHLDZNGAB-QMMMGPOBSA-N -1 3 389.807 0.571 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)COCc1ccnn1C ZINC001575167703 952339657 /nfs/dbraw/zinc/33/96/57/952339657.db2.gz JMPILABJQNNDAJ-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)COCc1ccnn1C ZINC001575167703 952339666 /nfs/dbraw/zinc/33/96/66/952339666.db2.gz JMPILABJQNNDAJ-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCn1cnccc1=O ZINC001575167744 952339683 /nfs/dbraw/zinc/33/96/83/952339683.db2.gz JTTSHQMUFLZWPW-GFCCVEGCSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCn1cnccc1=O ZINC001575167744 952339692 /nfs/dbraw/zinc/33/96/92/952339692.db2.gz JTTSHQMUFLZWPW-GFCCVEGCSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575168356 952343700 /nfs/dbraw/zinc/34/37/00/952343700.db2.gz LZTSHZBQHBDXSF-ZYHUDNBSSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575168356 952343709 /nfs/dbraw/zinc/34/37/09/952343709.db2.gz LZTSHZBQHBDXSF-ZYHUDNBSSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575168858 952344775 /nfs/dbraw/zinc/34/47/75/952344775.db2.gz OMUKEFJUJIXVSI-QGZVFWFLSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575168858 952344780 /nfs/dbraw/zinc/34/47/80/952344780.db2.gz OMUKEFJUJIXVSI-QGZVFWFLSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575168851 952345668 /nfs/dbraw/zinc/34/56/68/952345668.db2.gz OGNSVFYTMAEKAF-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575168851 952345673 /nfs/dbraw/zinc/34/56/73/952345673.db2.gz OGNSVFYTMAEKAF-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575170034 952351867 /nfs/dbraw/zinc/35/18/67/952351867.db2.gz VVSUEHGCWZQXRA-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575170034 952351875 /nfs/dbraw/zinc/35/18/75/952351875.db2.gz VVSUEHGCWZQXRA-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575170018 952352014 /nfs/dbraw/zinc/35/20/14/952352014.db2.gz VLWRVDKWLMEKHD-RYUDHWBXSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575170018 952352020 /nfs/dbraw/zinc/35/20/20/952352020.db2.gz VLWRVDKWLMEKHD-RYUDHWBXSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575170016 952352327 /nfs/dbraw/zinc/35/23/27/952352327.db2.gz VLWRVDKWLMEKHD-NEPJUHHUSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575170016 952352336 /nfs/dbraw/zinc/35/23/36/952352336.db2.gz VLWRVDKWLMEKHD-NEPJUHHUSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575170022 952352850 /nfs/dbraw/zinc/35/28/50/952352850.db2.gz VMTCVNFVKFLDRI-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575170022 952352855 /nfs/dbraw/zinc/35/28/55/952352855.db2.gz VMTCVNFVKFLDRI-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1noc2c1COCC2 ZINC001575173860 952357967 /nfs/dbraw/zinc/35/79/67/952357967.db2.gz BNQZWPAIFURFRG-JTQLQIEISA-N -1 3 384.400 0.895 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1noc2c1COCC2 ZINC001575173860 952357976 /nfs/dbraw/zinc/35/79/76/952357976.db2.gz BNQZWPAIFURFRG-JTQLQIEISA-N -1 3 384.400 0.895 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575184969 952426980 /nfs/dbraw/zinc/42/69/80/952426980.db2.gz IHDQBSALCUYXTD-GXTWGEPZSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575184969 952426982 /nfs/dbraw/zinc/42/69/82/952426982.db2.gz IHDQBSALCUYXTD-GXTWGEPZSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575185537 952433760 /nfs/dbraw/zinc/43/37/60/952433760.db2.gz RVJRPRDTIHFJIV-JTQLQIEISA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575185537 952433761 /nfs/dbraw/zinc/43/37/61/952433761.db2.gz RVJRPRDTIHFJIV-JTQLQIEISA-N -1 3 379.446 0.003 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)c1csnn1 ZINC001571114541 952456243 /nfs/dbraw/zinc/45/62/43/952456243.db2.gz KLBSFOQOECSRKC-SECBINFHSA-N -1 3 375.393 0.651 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1csnn1 ZINC001571114541 952456247 /nfs/dbraw/zinc/45/62/47/952456247.db2.gz KLBSFOQOECSRKC-SECBINFHSA-N -1 3 375.393 0.651 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575189759 952458818 /nfs/dbraw/zinc/45/88/18/952458818.db2.gz QCSBQGKAPSCRJM-NSHDSACASA-N -1 3 383.412 0.949 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575189759 952458821 /nfs/dbraw/zinc/45/88/21/952458821.db2.gz QCSBQGKAPSCRJM-NSHDSACASA-N -1 3 383.412 0.949 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C(F)F)c1 ZINC001571115061 952463882 /nfs/dbraw/zinc/46/38/82/952463882.db2.gz RCXZCPXKRXMTQR-JTQLQIEISA-N -1 3 375.343 0.862 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C(F)F)c1 ZINC001571115061 952463886 /nfs/dbraw/zinc/46/38/86/952463886.db2.gz RCXZCPXKRXMTQR-JTQLQIEISA-N -1 3 375.343 0.862 20 0 GCADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001571115221 952464167 /nfs/dbraw/zinc/46/41/67/952464167.db2.gz SAQRTRHHNKJEMQ-UWVGGRQHSA-N -1 3 375.389 0.363 20 0 GCADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001571115221 952464169 /nfs/dbraw/zinc/46/41/69/952464169.db2.gz SAQRTRHHNKJEMQ-UWVGGRQHSA-N -1 3 375.389 0.363 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575190627 952464184 /nfs/dbraw/zinc/46/41/84/952464184.db2.gz UZONYPISTGXZSU-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575190627 952464186 /nfs/dbraw/zinc/46/41/86/952464186.db2.gz UZONYPISTGXZSU-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1sccc1F ZINC001571115258 952465303 /nfs/dbraw/zinc/46/53/03/952465303.db2.gz SPUHIICBDLPAOJ-VXGBXAGGSA-N -1 3 375.389 0.442 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1sccc1F ZINC001571115258 952465304 /nfs/dbraw/zinc/46/53/04/952465304.db2.gz SPUHIICBDLPAOJ-VXGBXAGGSA-N -1 3 375.389 0.442 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CO)[C@@H](O)c1ccccn1 ZINC001575191617 952468631 /nfs/dbraw/zinc/46/86/31/952468631.db2.gz YIYVCBXHJQXFLL-JLZZUVOBSA-N -1 3 382.424 0.651 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CO)[C@@H](O)c1ccccn1 ZINC001575191617 952468634 /nfs/dbraw/zinc/46/86/34/952468634.db2.gz YIYVCBXHJQXFLL-JLZZUVOBSA-N -1 3 382.424 0.651 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575195892 952473060 /nfs/dbraw/zinc/47/30/60/952473060.db2.gz CUJZZNFGKLSUMC-NWDGAFQWSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575195892 952473063 /nfs/dbraw/zinc/47/30/63/952473063.db2.gz CUJZZNFGKLSUMC-NWDGAFQWSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575196573 952475722 /nfs/dbraw/zinc/47/57/22/952475722.db2.gz HGBVZDWUVXKRRY-PWSUYJOCSA-N -1 3 389.391 0.762 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575196573 952475725 /nfs/dbraw/zinc/47/57/25/952475725.db2.gz HGBVZDWUVXKRRY-PWSUYJOCSA-N -1 3 389.391 0.762 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571116680 952476641 /nfs/dbraw/zinc/47/66/41/952476641.db2.gz CADFWOYQOCOZPH-PSTGCABASA-N -1 3 375.408 0.897 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571116680 952476649 /nfs/dbraw/zinc/47/66/49/952476649.db2.gz CADFWOYQOCOZPH-PSTGCABASA-N -1 3 375.408 0.897 20 0 GCADHM C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571116681 952476794 /nfs/dbraw/zinc/47/67/94/952476794.db2.gz CADFWOYQOCOZPH-QFSBIZTOSA-N -1 3 375.408 0.897 20 0 GCADHM C[C@@H]1CN(C(=O)[C@]2(F)CCOC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571116681 952476802 /nfs/dbraw/zinc/47/68/02/952476802.db2.gz CADFWOYQOCOZPH-QFSBIZTOSA-N -1 3 375.408 0.897 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001575196825 952477278 /nfs/dbraw/zinc/47/72/78/952477278.db2.gz JKVZTVAYMBPERC-NILFDRSVSA-N -1 3 383.412 0.399 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001575196825 952477282 /nfs/dbraw/zinc/47/72/82/952477282.db2.gz JKVZTVAYMBPERC-NILFDRSVSA-N -1 3 383.412 0.399 20 0 GCADHM CC[C@H](OC)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571116684 952477307 /nfs/dbraw/zinc/47/73/07/952477307.db2.gz CAVIKUAQKNRPDE-RISCZKNCSA-N -1 3 375.433 0.683 20 0 GCADHM CC[C@H](OC)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571116684 952477310 /nfs/dbraw/zinc/47/73/10/952477310.db2.gz CAVIKUAQKNRPDE-RISCZKNCSA-N -1 3 375.433 0.683 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571117514 952481963 /nfs/dbraw/zinc/48/19/63/952481963.db2.gz LVVVPIQTDNSWAW-LALPHHSUSA-N -1 3 375.433 0.572 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571117514 952481966 /nfs/dbraw/zinc/48/19/66/952481966.db2.gz LVVVPIQTDNSWAW-LALPHHSUSA-N -1 3 375.433 0.572 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H](F)C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571117507 952482263 /nfs/dbraw/zinc/48/22/63/952482263.db2.gz LRVFBMNIVYSUKS-XRRVDJEJSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H](F)C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571117507 952482267 /nfs/dbraw/zinc/48/22/67/952482267.db2.gz LRVFBMNIVYSUKS-XRRVDJEJSA-N -1 3 375.408 0.958 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001571117575 952482914 /nfs/dbraw/zinc/48/29/14/952482914.db2.gz NGKBMEUHZRGVLO-YVEFUNNKSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001571117575 952482920 /nfs/dbraw/zinc/48/29/20/952482920.db2.gz NGKBMEUHZRGVLO-YVEFUNNKSA-N -1 3 375.408 0.912 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)C1CCC(F)CC1 ZINC001571117641 952482945 /nfs/dbraw/zinc/48/29/45/952482945.db2.gz OBEYEZQKYLMIAP-HOFDXXJLSA-N -1 3 375.408 0.456 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)C1CCC(F)CC1 ZINC001571117641 952482948 /nfs/dbraw/zinc/48/29/48/952482948.db2.gz OBEYEZQKYLMIAP-HOFDXXJLSA-N -1 3 375.408 0.456 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2O)co1 ZINC001571117609 952483010 /nfs/dbraw/zinc/48/30/10/952483010.db2.gz NTNRMOCPMUITRS-MNOVXSKESA-N -1 3 375.414 0.513 20 0 GCADHM CCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001571117634 952483417 /nfs/dbraw/zinc/48/34/17/952483417.db2.gz NZWZUUWFFKQPGY-GXFFZTMASA-N -1 3 375.433 0.323 20 0 GCADHM CCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001571117634 952483421 /nfs/dbraw/zinc/48/34/21/952483421.db2.gz NZWZUUWFFKQPGY-GXFFZTMASA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)[C@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571117577 952483559 /nfs/dbraw/zinc/48/35/59/952483559.db2.gz NGSPDELXGLKDOA-GDLCADMTSA-N -1 3 375.408 0.862 20 0 GCADHM CC(C)[C@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571117577 952483562 /nfs/dbraw/zinc/48/35/62/952483562.db2.gz NGSPDELXGLKDOA-GDLCADMTSA-N -1 3 375.408 0.862 20 0 GCADHM C[C@@]1(NC(=O)[C@H]2CCCOC2)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571117748 952484543 /nfs/dbraw/zinc/48/45/43/952484543.db2.gz QCQROEFXUIXOMT-APPDUMDISA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@]1(NC(=O)[C@H]2CCCOC2)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571117748 952484548 /nfs/dbraw/zinc/48/45/48/952484548.db2.gz QCQROEFXUIXOMT-APPDUMDISA-N -1 3 375.408 0.912 20 0 GCADHM 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952485547 /nfs/dbraw/zinc/48/55/47/952485547.db2.gz RYDDRRSXERJVSZ-PXAZEXFGSA-N -1 3 375.408 0.784 20 0 GCADHM COc1cc(C(=O)N[C@@H](CO)[C@@H](O)C2CCCCC2)ccc1-c1nnn[n-]1 ZINC001571117989 952486081 /nfs/dbraw/zinc/48/60/81/952486081.db2.gz RQIXOLZAVWMGMY-HOCLYGCPSA-N -1 3 375.429 0.907 20 0 GCADHM COc1cc(C(=O)N[C@@H](CO)[C@@H](O)C2CCCCC2)ccc1-c1nn[n-]n1 ZINC001571117989 952486086 /nfs/dbraw/zinc/48/60/86/952486086.db2.gz RQIXOLZAVWMGMY-HOCLYGCPSA-N -1 3 375.429 0.907 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575197649 952486407 /nfs/dbraw/zinc/48/64/07/952486407.db2.gz YIOPJLCCAOMQPI-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575197649 952486409 /nfs/dbraw/zinc/48/64/09/952486409.db2.gz YIOPJLCCAOMQPI-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM Nc1nnc([C@H]2CCCN(CC(=O)Nc3sccc3-c3nnn[n-]3)C2)o1 ZINC001571118324 952487226 /nfs/dbraw/zinc/48/72/26/952487226.db2.gz VLMFZGOFIXWTPA-QMMMGPOBSA-N -1 3 375.418 0.712 20 0 GCADHM Nc1nnc([C@H]2CCCN(CC(=O)Nc3sccc3-c3nn[n-]n3)C2)o1 ZINC001571118324 952487231 /nfs/dbraw/zinc/48/72/31/952487231.db2.gz VLMFZGOFIXWTPA-QMMMGPOBSA-N -1 3 375.418 0.712 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575199269 952488026 /nfs/dbraw/zinc/48/80/26/952488026.db2.gz BDJOFYMZXRPPAE-SWLSCSKDSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575199269 952488029 /nfs/dbraw/zinc/48/80/29/952488029.db2.gz BDJOFYMZXRPPAE-SWLSCSKDSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1 ZINC001575199597 952489657 /nfs/dbraw/zinc/48/96/57/952489657.db2.gz DIPOPAOIRWHMDH-LLVKDONJSA-N -1 3 382.432 0.709 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001571118751 952489779 /nfs/dbraw/zinc/48/97/79/952489779.db2.gz ZSUNCJHZCQVLMD-WCQYABFASA-N -1 3 375.408 0.865 20 0 GCADHM 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/nfs/dbraw/zinc/50/31/84/952503184.db2.gz PQYSFRNOLGEBEI-UNXYVOJBSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575201671 952506494 /nfs/dbraw/zinc/50/64/94/952506494.db2.gz KCLQEQTZLHSROZ-DGCLKSJQSA-N -1 3 382.432 0.296 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575201671 952506501 /nfs/dbraw/zinc/50/65/01/952506501.db2.gz KCLQEQTZLHSROZ-DGCLKSJQSA-N -1 3 382.432 0.296 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](CO)[C@@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC001571120776 952508740 /nfs/dbraw/zinc/50/87/40/952508740.db2.gz QZVDOYSUFFDTQX-OCCSQVGLSA-N -1 3 376.417 0.462 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](CO)[C@@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC001571120776 952508747 /nfs/dbraw/zinc/50/87/47/952508747.db2.gz QZVDOYSUFFDTQX-OCCSQVGLSA-N -1 3 376.417 0.462 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575201880 952509128 /nfs/dbraw/zinc/50/91/28/952509128.db2.gz RWUVTBJPHMQPNT-DGCLKSJQSA-N -1 3 384.448 0.811 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575201880 952509136 /nfs/dbraw/zinc/50/91/36/952509136.db2.gz RWUVTBJPHMQPNT-DGCLKSJQSA-N -1 3 384.448 0.811 20 0 GCADHM COc1ncc(NC(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)cc1-c1nnn[n-]1 ZINC001571120874 952509927 /nfs/dbraw/zinc/50/99/27/952509927.db2.gz SAUAYZOINGIUHA-GHMZBOCLSA-N -1 3 376.421 0.189 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575202226 952512097 /nfs/dbraw/zinc/51/20/97/952512097.db2.gz UNHXNPSLGSEUBQ-UNXYVOJBSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575202226 952512102 /nfs/dbraw/zinc/51/21/02/952512102.db2.gz UNHXNPSLGSEUBQ-UNXYVOJBSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575202530 952513583 /nfs/dbraw/zinc/51/35/83/952513583.db2.gz OXZUDDWONXEOQM-QMTHXVAHSA-N -1 3 382.432 0.565 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(F)c1)N1CCOc2ncccc2C1 ZINC001571121123 952514768 /nfs/dbraw/zinc/51/47/68/952514768.db2.gz WNHCZHNODANFQP-UHFFFAOYSA-N -1 3 376.373 0.984 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575202684 952516255 /nfs/dbraw/zinc/51/62/55/952516255.db2.gz XKMXTXUMURAWRC-CHWSQXEVSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575202684 952516260 /nfs/dbraw/zinc/51/62/60/952516260.db2.gz XKMXTXUMURAWRC-CHWSQXEVSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575202656 952516377 /nfs/dbraw/zinc/51/63/77/952516377.db2.gz XASBROQHKAMBKA-DGCLKSJQSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575202656 952516382 /nfs/dbraw/zinc/51/63/82/952516382.db2.gz XASBROQHKAMBKA-DGCLKSJQSA-N -1 3 382.432 0.344 20 0 GCADHM O=C(N[C@@H]1CCN(CCn2cc(Cl)cn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571121146 952516497 /nfs/dbraw/zinc/51/64/97/952516497.db2.gz XBHCKEPUZBAMQS-LLVKDONJSA-N -1 3 375.824 0.549 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575202686 952516526 /nfs/dbraw/zinc/51/65/26/952516526.db2.gz XKMXTXUMURAWRC-OLZOCXBDSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575202686 952516529 /nfs/dbraw/zinc/51/65/29/952516529.db2.gz XKMXTXUMURAWRC-OLZOCXBDSA-N -1 3 383.460 0.815 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001575203077 952518835 /nfs/dbraw/zinc/51/88/35/952518835.db2.gz ZNYSCWGVCSAVHH-DGCLKSJQSA-N -1 3 384.448 0.811 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001575203077 952518839 /nfs/dbraw/zinc/51/88/39/952518839.db2.gz ZNYSCWGVCSAVHH-DGCLKSJQSA-N -1 3 384.448 0.811 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)CCCN(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001575203345 952520502 /nfs/dbraw/zinc/52/05/02/952520502.db2.gz 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0.519 20 0 GCADHM Cc1nsc(NC[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1-c1nnn[n-]1 ZINC001571123109 952528321 /nfs/dbraw/zinc/52/83/21/952528321.db2.gz OZUOTJAUDYUXRD-AEJSXWLSSA-N -1 3 376.446 0.156 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571123141 952528850 /nfs/dbraw/zinc/52/88/50/952528850.db2.gz QCYRACJVETWSOF-RYUDHWBXSA-N -1 3 376.442 0.382 20 0 GCADHM Cc1nsc(N[C@H]2CCN(C(=O)CN3CCCC3=O)C2)c1-c1nnn[n-]1 ZINC001571123799 952532483 /nfs/dbraw/zinc/53/24/83/952532483.db2.gz WENJNWOUKARWJZ-JTQLQIEISA-N -1 3 376.446 0.267 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575207557 952533403 /nfs/dbraw/zinc/53/34/03/952533403.db2.gz RDLZFCUUWFTKHW-NSHDSACASA-N -1 3 387.423 0.566 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575207557 952533406 /nfs/dbraw/zinc/53/34/06/952533406.db2.gz RDLZFCUUWFTKHW-NSHDSACASA-N -1 3 387.423 0.566 20 0 GCADHM Cn1nccc1[C@@H](O)CNC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001571124117 952533483 /nfs/dbraw/zinc/53/34/83/952533483.db2.gz ZCNRRULIVKQWKI-ZDUSSCGKSA-N -1 3 376.808 0.786 20 0 GCADHM Cn1nccc1[C@@H](O)CNC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001571124117 952533488 /nfs/dbraw/zinc/53/34/88/952533488.db2.gz ZCNRRULIVKQWKI-ZDUSSCGKSA-N -1 3 376.808 0.786 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575207924 952535589 /nfs/dbraw/zinc/53/55/89/952535589.db2.gz WGZZERPMJBBCRA-LBPRGKRZSA-N -1 3 381.444 0.935 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575207924 952535591 /nfs/dbraw/zinc/53/55/91/952535591.db2.gz WGZZERPMJBBCRA-LBPRGKRZSA-N -1 3 381.444 0.935 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575207972 952537053 /nfs/dbraw/zinc/53/70/53/952537053.db2.gz XNVZLMMITRZJGJ-STQMWFEESA-N -1 3 383.460 0.815 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575207972 952537061 /nfs/dbraw/zinc/53/70/61/952537061.db2.gz XNVZLMMITRZJGJ-STQMWFEESA-N -1 3 383.460 0.815 20 0 GCADHM C[C@]12CN(C(=O)c3ccncn3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571124374 952537161 /nfs/dbraw/zinc/53/71/61/952537161.db2.gz HCQQBIWNTGWIPV-XIKOKIGWSA-N -1 3 377.412 0.650 20 0 GCADHM C[C@]12CN(C(=O)c3ccncn3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571124374 952537171 /nfs/dbraw/zinc/53/71/71/952537171.db2.gz HCQQBIWNTGWIPV-XIKOKIGWSA-N -1 3 377.412 0.650 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1COCCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575210289 952538695 /nfs/dbraw/zinc/53/86/95/952538695.db2.gz AIHUEHCJAACELL-GFCCVEGCSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1COCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575210289 952538702 /nfs/dbraw/zinc/53/87/02/952538702.db2.gz AIHUEHCJAACELL-GFCCVEGCSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001575211096 952544370 /nfs/dbraw/zinc/54/43/70/952544370.db2.gz MWCURWXQSDFSKE-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001575211096 952544374 /nfs/dbraw/zinc/54/43/74/952544374.db2.gz MWCURWXQSDFSKE-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575211636 952548446 /nfs/dbraw/zinc/54/84/46/952548446.db2.gz WXOKENWJYTXGKP-UHFFFAOYSA-N -1 3 383.359 0.245 20 0 GCADHM CC(F)(F)C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575211636 952548449 /nfs/dbraw/zinc/54/84/49/952548449.db2.gz WXOKENWJYTXGKP-UHFFFAOYSA-N -1 3 383.359 0.245 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC[C@H]21 ZINC001575212293 952552451 /nfs/dbraw/zinc/55/24/51/952552451.db2.gz GPKRGMUNVVYOFB-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC[C@H]21 ZINC001575212293 952552454 /nfs/dbraw/zinc/55/24/54/952552454.db2.gz GPKRGMUNVVYOFB-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC[C@@H]21 ZINC001575212294 952552505 /nfs/dbraw/zinc/55/25/05/952552505.db2.gz GPKRGMUNVVYOFB-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC[C@@H]21 ZINC001575212294 952552512 /nfs/dbraw/zinc/55/25/12/952552512.db2.gz GPKRGMUNVVYOFB-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1)c1cnccn1 ZINC001571127292 952553002 /nfs/dbraw/zinc/55/30/02/952553002.db2.gz ISUFGMCSVVFRNK-YHWZYXNKSA-N -1 3 377.412 0.982 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1)c1cnccn1 ZINC001571127292 952553004 /nfs/dbraw/zinc/55/30/04/952553004.db2.gz ISUFGMCSVVFRNK-YHWZYXNKSA-N -1 3 377.412 0.982 20 0 GCADHM COC(=O)[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]2C[C@H]21 ZINC001571127737 952559367 /nfs/dbraw/zinc/55/93/67/952559367.db2.gz MKJSIHYEFMRPHO-RQJABVFESA-N -1 3 377.426 0.484 20 0 GCADHM COC(=O)[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]2C[C@H]21 ZINC001571127737 952559373 /nfs/dbraw/zinc/55/93/73/952559373.db2.gz MKJSIHYEFMRPHO-RQJABVFESA-N -1 3 377.426 0.484 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)C[C@@H]3COC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571128154 952564808 /nfs/dbraw/zinc/56/48/08/952564808.db2.gz PDGRCVGGMVSFLL-VHSXEESVSA-N -1 3 377.430 0.598 20 0 GCADHM O=C(c1cccnn1)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571128194 952564898 /nfs/dbraw/zinc/56/48/98/952564898.db2.gz QHBDWBLNTXVVDN-GJZGRUSLSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1cccnn1)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571128194 952564901 /nfs/dbraw/zinc/56/49/01/952564901.db2.gz QHBDWBLNTXVVDN-GJZGRUSLSA-N -1 3 377.412 0.935 20 0 GCADHM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)[C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC001571128352 952565714 /nfs/dbraw/zinc/56/57/14/952565714.db2.gz RIQDQFULVMJZID-RYUDHWBXSA-N -1 3 377.474 0.953 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnc(C2CC2)nc1 ZINC001571128498 952568351 /nfs/dbraw/zinc/56/83/51/952568351.db2.gz UXGYNMRZJLEVEL-ZDUSSCGKSA-N -1 3 377.412 0.938 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnc(C2CC2)nc1 ZINC001571128498 952568355 /nfs/dbraw/zinc/56/83/55/952568355.db2.gz UXGYNMRZJLEVEL-ZDUSSCGKSA-N -1 3 377.412 0.938 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001575215495 952569244 /nfs/dbraw/zinc/56/92/44/952569244.db2.gz UVCGOVWGHDQDER-MNOVXSKESA-N -1 3 381.387 0.609 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001575215495 952569248 /nfs/dbraw/zinc/56/92/48/952569248.db2.gz UVCGOVWGHDQDER-MNOVXSKESA-N -1 3 381.387 0.609 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)c1n[nH]cc1F ZINC001571128640 952569889 /nfs/dbraw/zinc/56/98/89/952569889.db2.gz VWQWTGBKAWFIFH-QMMMGPOBSA-N -1 3 377.771 0.786 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575221637 952570240 /nfs/dbraw/zinc/57/02/40/952570240.db2.gz AHZPZIORPYCLJI-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575221637 952570245 /nfs/dbraw/zinc/57/02/45/952570245.db2.gz AHZPZIORPYCLJI-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl)[S@](C)=O ZINC001571129310 952573890 /nfs/dbraw/zinc/57/38/90/952573890.db2.gz CIWXXQWFTJMJKF-PJLCYMMNSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl)[S@](C)=O ZINC001571129310 952573894 /nfs/dbraw/zinc/57/38/94/952573894.db2.gz CIWXXQWFTJMJKF-PJLCYMMNSA-N -1 3 377.879 0.956 20 0 GCADHM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001571129824 952576228 /nfs/dbraw/zinc/57/62/28/952576228.db2.gz JXBIRDSWKZASGD-GXFFZTMASA-N -1 3 378.364 0.185 20 0 GCADHM CCOC(=O)N1C[C@@H](CO)[C@H](NC(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571129824 952576232 /nfs/dbraw/zinc/57/62/32/952576232.db2.gz JXBIRDSWKZASGD-GXFFZTMASA-N -1 3 378.364 0.185 20 0 GCADHM O=C(N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1)[C@@]1(F)CCOC1 ZINC001571130564 952581146 /nfs/dbraw/zinc/58/11/46/952581146.db2.gz TVMYSMUAUVCVEV-QGZVFWFLSA-N -1 3 378.383 0.779 20 0 GCADHM O=C(N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1)[C@@]1(F)CCOC1 ZINC001571130564 952581150 /nfs/dbraw/zinc/58/11/50/952581150.db2.gz TVMYSMUAUVCVEV-QGZVFWFLSA-N -1 3 378.383 0.779 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)[C@@]1(F)CCOC1 ZINC001571130951 952584238 /nfs/dbraw/zinc/58/42/38/952584238.db2.gz ZUKPQFWAWWPRIB-CXAGYDPISA-N -1 3 378.383 0.825 20 0 GCADHM NC(=O)c1cccc(CNS(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)c1 ZINC001571135568 952605491 /nfs/dbraw/zinc/60/54/91/952605491.db2.gz XFEHEYCINIQWMO-UHFFFAOYSA-N -1 3 378.439 0.647 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccncc1-c1nn[nH]n1)c1ncccc1[O-] ZINC001571135930 952610099 /nfs/dbraw/zinc/61/00/99/952610099.db2.gz IJYSZVOOEHHOLM-OSMZGAPFSA-N -1 3 378.396 0.902 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccn1 ZINC001571136342 952613197 /nfs/dbraw/zinc/61/31/97/952613197.db2.gz OLCDLVBFXJUGQE-ZLDLUXBVSA-N -1 3 378.396 0.765 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccn1 ZINC001571136342 952613203 /nfs/dbraw/zinc/61/32/03/952613203.db2.gz OLCDLVBFXJUGQE-ZLDLUXBVSA-N -1 3 378.396 0.765 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)c1 ZINC001571140360 952624351 /nfs/dbraw/zinc/62/43/51/952624351.db2.gz BRVLVMAVXBDCKD-RDJZCZTQSA-N -1 3 379.424 0.940 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)c1 ZINC001571140360 952624354 /nfs/dbraw/zinc/62/43/54/952624354.db2.gz BRVLVMAVXBDCKD-RDJZCZTQSA-N -1 3 379.424 0.940 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)c1 ZINC001571140357 952624782 /nfs/dbraw/zinc/62/47/82/952624782.db2.gz BRVLVMAVXBDCKD-NVXWUHKLSA-N -1 3 379.424 0.940 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)c1 ZINC001571140357 952624786 /nfs/dbraw/zinc/62/47/86/952624786.db2.gz BRVLVMAVXBDCKD-NVXWUHKLSA-N -1 3 379.424 0.940 20 0 GCADHM O=C(NC[C@]12CCC[C@H]1N(C(=O)C(F)F)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571140728 952628309 /nfs/dbraw/zinc/62/83/09/952628309.db2.gz SEUXRLIHHAUJQY-BDJLRTHQSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(NC[C@]12CCC[C@H]1N(C(=O)C(F)F)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571140728 952628311 /nfs/dbraw/zinc/62/83/11/952628311.db2.gz SEUXRLIHHAUJQY-BDJLRTHQSA-N -1 3 379.371 0.961 20 0 GCADHM COc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)ncn1 ZINC001571140750 952628856 /nfs/dbraw/zinc/62/88/56/952628856.db2.gz SKZDCNSYAILDJM-QWRGUYRKSA-N -1 3 379.384 0.164 20 0 GCADHM COc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)ncn1 ZINC001571140750 952628862 /nfs/dbraw/zinc/62/88/62/952628862.db2.gz SKZDCNSYAILDJM-QWRGUYRKSA-N -1 3 379.384 0.164 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571140838 952629561 /nfs/dbraw/zinc/62/95/61/952629561.db2.gz UQBYVHGNBLZMCJ-LLVKDONJSA-N -1 3 379.384 0.082 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571140838 952629562 /nfs/dbraw/zinc/62/95/62/952629562.db2.gz UQBYVHGNBLZMCJ-LLVKDONJSA-N -1 3 379.384 0.082 20 0 GCADHM O=C(NCC1(N2CCOCC2)CCOCC1)c1csc(-c2nnn[n-]2)c1 ZINC001571141068 952630704 /nfs/dbraw/zinc/63/07/04/952630704.db2.gz GJFKBOGOFUQMIA-UHFFFAOYSA-N -1 3 378.458 0.539 20 0 GCADHM O=C(NCC1(N2CCOCC2)CCOCC1)c1csc(-c2nn[n-]n2)c1 ZINC001571141068 952630706 /nfs/dbraw/zinc/63/07/06/952630706.db2.gz GJFKBOGOFUQMIA-UHFFFAOYSA-N -1 3 378.458 0.539 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC001571141622 952634593 /nfs/dbraw/zinc/63/45/93/952634593.db2.gz JEDLTBARNFOWGH-CYZMBNFOSA-N -1 3 378.458 0.280 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC001571141622 952634599 /nfs/dbraw/zinc/63/45/99/952634599.db2.gz JEDLTBARNFOWGH-CYZMBNFOSA-N -1 3 378.458 0.280 20 0 GCADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cncs3)C2)c1-c1nnn[n-]1 ZINC001571142309 952639615 /nfs/dbraw/zinc/63/96/15/952639615.db2.gz OUGNWVIPGXMWJS-HTQZYQBOSA-N -1 3 378.443 0.068 20 0 GCADHM CC[C@@H]1C[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571142297 952639908 /nfs/dbraw/zinc/63/99/08/952639908.db2.gz ONCJQAWROVLQAV-LOWVWBTDSA-N -1 3 378.458 0.696 20 0 GCADHM CC[C@@H]1C[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571142297 952639909 /nfs/dbraw/zinc/63/99/09/952639909.db2.gz ONCJQAWROVLQAV-LOWVWBTDSA-N -1 3 378.458 0.696 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)c1cccnc1 ZINC001571142639 952643994 /nfs/dbraw/zinc/64/39/94/952643994.db2.gz ZCPNBIUHIDMBJN-QGZVFWFLSA-N -1 3 379.424 0.893 20 0 GCADHM O=C(Cn1ccccc1=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571142615 952644276 /nfs/dbraw/zinc/64/42/76/952644276.db2.gz YKQBBCVANWNKFJ-UHFFFAOYSA-N -1 3 379.424 0.373 20 0 GCADHM Cn1nc2c(c1C(=O)N1CCN(c3ccc(-c4nnn[n-]4)cn3)CC1)CCC2 ZINC001571146265 952648364 /nfs/dbraw/zinc/64/83/64/952648364.db2.gz FJCNAFJEFAAHPL-UHFFFAOYSA-N -1 3 379.428 0.446 20 0 GCADHM Cn1nc2c(c1C(=O)N1CCN(c3ccc(-c4nn[n-]n4)cn3)CC1)CCC2 ZINC001571146265 952648367 /nfs/dbraw/zinc/64/83/67/952648367.db2.gz FJCNAFJEFAAHPL-UHFFFAOYSA-N -1 3 379.428 0.446 20 0 GCADHM Cn1cncc1C(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571146378 952648764 /nfs/dbraw/zinc/64/87/64/952648764.db2.gz HCXKUGUTTOSCEB-KGLIPLIRSA-N -1 3 379.428 0.736 20 0 GCADHM Cn1cncc1C(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571146378 952648769 /nfs/dbraw/zinc/64/87/69/952648769.db2.gz HCXKUGUTTOSCEB-KGLIPLIRSA-N -1 3 379.428 0.736 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c(C2CC2)n1 ZINC001571146320 952649007 /nfs/dbraw/zinc/64/90/07/952649007.db2.gz GBQZWNUUMYYYKB-CYBMUJFWSA-N -1 3 379.428 0.881 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c(C2CC2)n1 ZINC001571146320 952649010 /nfs/dbraw/zinc/64/90/10/952649010.db2.gz GBQZWNUUMYYYKB-CYBMUJFWSA-N -1 3 379.428 0.881 20 0 GCADHM CCn1cnc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)c1 ZINC001571146684 952650851 /nfs/dbraw/zinc/65/08/51/952650851.db2.gz ANVMXSHRNRTHEU-DZGCQCFKSA-N -1 3 379.428 0.829 20 0 GCADHM CCn1cnc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)c1 ZINC001571146684 952650855 /nfs/dbraw/zinc/65/08/55/952650855.db2.gz ANVMXSHRNRTHEU-DZGCQCFKSA-N -1 3 379.428 0.829 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn2c1CCC2 ZINC001571146720 952651976 /nfs/dbraw/zinc/65/19/76/952651976.db2.gz LVEYRVGERFSYKJ-ZDUSSCGKSA-N -1 3 379.428 0.803 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn2c1CCC2 ZINC001571146720 952651978 /nfs/dbraw/zinc/65/19/78/952651978.db2.gz LVEYRVGERFSYKJ-ZDUSSCGKSA-N -1 3 379.428 0.803 20 0 GCADHM CCc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc(C)n1 ZINC001571146791 952653080 /nfs/dbraw/zinc/65/30/80/952653080.db2.gz CFFIRFJFURUDTA-VIKVFOODSA-N -1 3 379.428 0.720 20 0 GCADHM CN1CCN(c2cc(C(=O)NCc3ccnc(-c4nnn[n-]4)c3)ccn2)CC1 ZINC001571147385 952660693 /nfs/dbraw/zinc/66/06/93/952660693.db2.gz LTJPUUKEAHIESQ-UHFFFAOYSA-N -1 3 379.428 0.339 20 0 GCADHM Cc1ncc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)c(C)n4)C[C@H]32)[nH]1 ZINC001571147434 952661318 /nfs/dbraw/zinc/66/13/18/952661318.db2.gz XXRZCAFCGVHFHE-ZSOGYDGISA-N -1 3 379.428 0.714 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCc2cncn2C1 ZINC001571147478 952661869 /nfs/dbraw/zinc/66/18/69/952661869.db2.gz ZNHDEHJUTAOCEJ-QWHCGFSZSA-N -1 3 379.428 0.416 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCc2cncn2C1 ZINC001571147478 952661873 /nfs/dbraw/zinc/66/18/73/952661873.db2.gz ZNHDEHJUTAOCEJ-QWHCGFSZSA-N -1 3 379.428 0.416 20 0 GCADHM CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)ccc2-c2nnn[n-]2)cn1 ZINC001571147776 952663620 /nfs/dbraw/zinc/66/36/20/952663620.db2.gz PZJJLIUZVGNGSM-KBPBESRZSA-N -1 3 379.428 0.890 20 0 GCADHM CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)ccc2-c2nn[n-]n2)cn1 ZINC001571147776 952663624 /nfs/dbraw/zinc/66/36/24/952663624.db2.gz PZJJLIUZVGNGSM-KBPBESRZSA-N -1 3 379.428 0.890 20 0 GCADHM C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1n[nH]c2c1CCC2 ZINC001571147999 952664429 /nfs/dbraw/zinc/66/44/29/952664429.db2.gz SYIOSGJVGBVSQO-QMTHXVAHSA-N -1 3 379.428 0.728 20 0 GCADHM C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1n[nH]c2c1CCC2 ZINC001571147999 952664435 /nfs/dbraw/zinc/66/44/35/952664435.db2.gz SYIOSGJVGBVSQO-QMTHXVAHSA-N -1 3 379.428 0.728 20 0 GCADHM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2-c2nnn[n-]2)C[C@@H]1C ZINC001571150841 952670832 /nfs/dbraw/zinc/67/08/32/952670832.db2.gz HJYVQUGFJSLDSZ-NWDGAFQWSA-N -1 3 379.442 0.995 20 0 GCADHM COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2-c2nn[n-]n2)C[C@@H]1C ZINC001571150841 952670834 /nfs/dbraw/zinc/67/08/34/952670834.db2.gz HJYVQUGFJSLDSZ-NWDGAFQWSA-N -1 3 379.442 0.995 20 0 GCADHM O=C(Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1)c1ccc2c(c1)C(=O)NCCO2 ZINC001571151991 952679765 /nfs/dbraw/zinc/67/97/65/952679765.db2.gz ATXTXWMJFYVGCR-UHFFFAOYSA-N -1 3 380.368 0.842 20 0 GCADHM C[C@@H](C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)N1CCSCC1 ZINC001571154183 952689126 /nfs/dbraw/zinc/68/91/26/952689126.db2.gz ZBYASKKEXDYYOO-VIFPVBQESA-N -1 3 379.515 0.832 20 0 GCADHM C[C@@H](C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)N1CCSCC1 ZINC001571154183 952689127 /nfs/dbraw/zinc/68/91/27/952689127.db2.gz ZBYASKKEXDYYOO-VIFPVBQESA-N -1 3 379.515 0.832 20 0 GCADHM C[C@H](C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)N1CCSCC1 ZINC001571154180 952689177 /nfs/dbraw/zinc/68/91/77/952689177.db2.gz ZBYASKKEXDYYOO-SECBINFHSA-N -1 3 379.515 0.832 20 0 GCADHM C[C@H](C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)N1CCSCC1 ZINC001571154180 952689180 /nfs/dbraw/zinc/68/91/80/952689180.db2.gz ZBYASKKEXDYYOO-SECBINFHSA-N -1 3 379.515 0.832 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1ccc(=O)n(C)c1 ZINC001571154866 952690121 /nfs/dbraw/zinc/69/01/21/952690121.db2.gz CTQHPMGAESGNTC-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1ccc(=O)n(C)c1 ZINC001571154866 952690125 /nfs/dbraw/zinc/69/01/25/952690125.db2.gz CTQHPMGAESGNTC-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM CC(=O)N(C)c1ccc(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001571154826 952690196 /nfs/dbraw/zinc/69/01/96/952690196.db2.gz BYFPUXFCSIDIRZ-UHFFFAOYSA-N -1 3 380.412 0.973 20 0 GCADHM CC(=O)N(C)c1ccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001571154826 952690200 /nfs/dbraw/zinc/69/02/00/952690200.db2.gz BYFPUXFCSIDIRZ-UHFFFAOYSA-N -1 3 380.412 0.973 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cccnc1 ZINC001571155045 952691707 /nfs/dbraw/zinc/69/17/07/952691707.db2.gz FNWPSPNQFAWPTM-CQSZACIVSA-N -1 3 380.412 0.967 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cccnc1 ZINC001571155045 952691714 /nfs/dbraw/zinc/69/17/14/952691714.db2.gz FNWPSPNQFAWPTM-CQSZACIVSA-N -1 3 380.412 0.967 20 0 GCADHM CN(C(=O)Cc1cccnc1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571154989 952691876 /nfs/dbraw/zinc/69/18/76/952691876.db2.gz DEWRIZFUQGWVCM-CQSZACIVSA-N -1 3 380.412 0.505 20 0 GCADHM CN(C(=O)Cc1cccnc1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571154989 952691880 /nfs/dbraw/zinc/69/18/80/952691880.db2.gz DEWRIZFUQGWVCM-CQSZACIVSA-N -1 3 380.412 0.505 20 0 GCADHM CCc1cnccc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571155167 952693941 /nfs/dbraw/zinc/69/39/41/952693941.db2.gz JMMJGQBXNFGEFE-UHFFFAOYSA-N -1 3 380.412 0.750 20 0 GCADHM CCc1cnccc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571155167 952693947 /nfs/dbraw/zinc/69/39/47/952693947.db2.gz JMMJGQBXNFGEFE-UHFFFAOYSA-N -1 3 380.412 0.750 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1NC(=O)c1cccnc1 ZINC001571155297 952694549 /nfs/dbraw/zinc/69/45/49/952694549.db2.gz NGPZXFIRJZDXGF-AWEZNQCLSA-N -1 3 380.412 0.870 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1NC(=O)c1cccnc1 ZINC001571155297 952694553 /nfs/dbraw/zinc/69/45/53/952694553.db2.gz NGPZXFIRJZDXGF-AWEZNQCLSA-N -1 3 380.412 0.870 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001571155253 952695042 /nfs/dbraw/zinc/69/50/42/952695042.db2.gz LWVOTOWYZDCCJS-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001571155253 952695044 /nfs/dbraw/zinc/69/50/44/952695044.db2.gz LWVOTOWYZDCCJS-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CN1C(=O)c1ccn(C)c(=O)c1 ZINC001571155269 952695085 /nfs/dbraw/zinc/69/50/85/952695085.db2.gz MJMDRLQYTUPBSY-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CN1C(=O)c1ccn(C)c(=O)c1 ZINC001571155269 952695087 /nfs/dbraw/zinc/69/50/87/952695087.db2.gz MJMDRLQYTUPBSY-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM CCc1cnccc1C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571155370 952695766 /nfs/dbraw/zinc/69/57/66/952695766.db2.gz POYUKWICXUVPGX-UHFFFAOYSA-N -1 3 380.412 0.750 20 0 GCADHM CCc1cnccc1C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571155370 952695767 /nfs/dbraw/zinc/69/57/67/952695767.db2.gz POYUKWICXUVPGX-UHFFFAOYSA-N -1 3 380.412 0.750 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001571155445 952697112 /nfs/dbraw/zinc/69/71/12/952697112.db2.gz SANNRSOISHCFMN-CQSZACIVSA-N -1 3 380.412 0.311 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001571155445 952697115 /nfs/dbraw/zinc/69/71/15/952697115.db2.gz SANNRSOISHCFMN-CQSZACIVSA-N -1 3 380.412 0.311 20 0 GCADHM Cn1cc(CNC(=O)[C@H]2CC(=O)N(C)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001571155479 952697588 /nfs/dbraw/zinc/69/75/88/952697588.db2.gz UCLHECWSXZMHMU-ZDUSSCGKSA-N -1 3 380.412 0.362 20 0 GCADHM Cn1cc(CNC(=O)[C@H]2CC(=O)N(C)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571155479 952697591 /nfs/dbraw/zinc/69/75/91/952697591.db2.gz UCLHECWSXZMHMU-ZDUSSCGKSA-N -1 3 380.412 0.362 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1cccn(C)c1=O ZINC001571155544 952697729 /nfs/dbraw/zinc/69/77/29/952697729.db2.gz VTVPXNZQXUMRHL-YPMHNXCESA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1cccn(C)c1=O ZINC001571155544 952697735 /nfs/dbraw/zinc/69/77/35/952697735.db2.gz VTVPXNZQXUMRHL-YPMHNXCESA-N -1 3 380.412 0.676 20 0 GCADHM Cn1cc(CNC(=O)[C@@H]2CC(=O)N(C)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001571155478 952697992 /nfs/dbraw/zinc/69/79/92/952697992.db2.gz UCLHECWSXZMHMU-CYBMUJFWSA-N -1 3 380.412 0.362 20 0 GCADHM Cn1cc(CNC(=O)[C@@H]2CC(=O)N(C)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571155478 952697996 /nfs/dbraw/zinc/69/79/96/952697996.db2.gz UCLHECWSXZMHMU-CYBMUJFWSA-N -1 3 380.412 0.362 20 0 GCADHM CCc1cccc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571155735 952700067 /nfs/dbraw/zinc/70/00/67/952700067.db2.gz YPLQVIUXXKWIHY-HAQNSBGRSA-N -1 3 380.412 0.843 20 0 GCADHM CCc1cccc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571155735 952700068 /nfs/dbraw/zinc/70/00/68/952700068.db2.gz YPLQVIUXXKWIHY-HAQNSBGRSA-N -1 3 380.412 0.843 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)ccc1=O ZINC001571155746 952700079 /nfs/dbraw/zinc/70/00/79/952700079.db2.gz YUQMRHNAIKJDRC-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001571155746 952700081 /nfs/dbraw/zinc/70/00/81/952700081.db2.gz YUQMRHNAIKJDRC-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM COc1cncc(C(=O)N(C)C2CN(Cc3ccccc3-c3nnn[n-]3)C2)n1 ZINC001571157863 952708337 /nfs/dbraw/zinc/70/83/37/952708337.db2.gz AZLGVIZFUPWFNE-UHFFFAOYSA-N -1 3 380.412 0.622 20 0 GCADHM COc1cncc(C(=O)N(C)C2CN(Cc3ccccc3-c3nn[n-]n3)C2)n1 ZINC001571157863 952708341 /nfs/dbraw/zinc/70/83/41/952708341.db2.gz AZLGVIZFUPWFNE-UHFFFAOYSA-N -1 3 380.412 0.622 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC(N(C)C(=O)c2ncccn2)C1 ZINC001571157914 952708354 /nfs/dbraw/zinc/70/83/54/952708354.db2.gz CLGCGLBEIHFNJJ-UHFFFAOYSA-N -1 3 380.412 0.622 20 0 GCADHM Cc1cc(C)nc(N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)n1 ZINC001571158057 952709369 /nfs/dbraw/zinc/70/93/69/952709369.db2.gz QKGHDRMSGOXPMO-ZSOGYDGISA-N -1 3 379.428 0.714 20 0 GCADHM Cc1cc(C)nc(N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)n1 ZINC001571158057 952709370 /nfs/dbraw/zinc/70/93/70/952709370.db2.gz QKGHDRMSGOXPMO-ZSOGYDGISA-N -1 3 379.428 0.714 20 0 GCADHM Cc1cc(C)nc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)c1 ZINC001571158526 952712562 /nfs/dbraw/zinc/71/25/62/952712562.db2.gz KRBAYSRDFICTGS-UHFFFAOYSA-N -1 3 380.412 0.805 20 0 GCADHM Cc1cc(C)nc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)c1 ZINC001571158526 952712566 /nfs/dbraw/zinc/71/25/66/952712566.db2.gz KRBAYSRDFICTGS-UHFFFAOYSA-N -1 3 380.412 0.805 20 0 GCADHM Cc1cc(NC[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158698 952713496 /nfs/dbraw/zinc/71/34/96/952713496.db2.gz MSYQRJIOGSQFQK-LBPRGKRZSA-N -1 3 380.412 0.667 20 0 GCADHM Cc1cccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571158646 952713546 /nfs/dbraw/zinc/71/35/46/952713546.db2.gz LJQYWCLEEKXPEQ-GFCCVEGCSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1cccc(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571158646 952713550 /nfs/dbraw/zinc/71/35/50/952713550.db2.gz LJQYWCLEEKXPEQ-GFCCVEGCSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)n1 ZINC001571159234 952716996 /nfs/dbraw/zinc/71/69/96/952716996.db2.gz RGYYVIMOBKACAK-NEPJUHHUSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)n1 ZINC001571159234 952717000 /nfs/dbraw/zinc/71/70/00/952717000.db2.gz RGYYVIMOBKACAK-NEPJUHHUSA-N -1 3 380.412 0.931 20 0 GCADHM COc1ccnc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571159329 952718523 /nfs/dbraw/zinc/71/85/23/952718523.db2.gz UPJXQCIZMLZRKR-LBPRGKRZSA-N -1 3 380.412 0.922 20 0 GCADHM COc1ccnc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571159329 952718528 /nfs/dbraw/zinc/71/85/28/952718528.db2.gz UPJXQCIZMLZRKR-LBPRGKRZSA-N -1 3 380.412 0.922 20 0 GCADHM Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001571159295 952718921 /nfs/dbraw/zinc/71/89/21/952718921.db2.gz UBEGLFQYHOMNAQ-CQSZACIVSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001571159295 952718923 /nfs/dbraw/zinc/71/89/23/952718923.db2.gz UBEGLFQYHOMNAQ-CQSZACIVSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)cc(C)n1 ZINC001571159498 952719151 /nfs/dbraw/zinc/71/91/51/952719151.db2.gz WJCUKWFGOGDLGN-HZPDHXFCSA-N -1 3 380.412 0.253 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)cc(C)n1 ZINC001571159498 952719154 /nfs/dbraw/zinc/71/91/54/952719154.db2.gz WJCUKWFGOGDLGN-HZPDHXFCSA-N -1 3 380.412 0.253 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1CNC(=O)c1ccncn1 ZINC001571159486 952719250 /nfs/dbraw/zinc/71/92/50/952719250.db2.gz WGDXFUUBURASPN-CQSZACIVSA-N -1 3 380.412 0.670 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ccn1 ZINC001571159517 952719656 /nfs/dbraw/zinc/71/96/56/952719656.db2.gz XGVIPLVXHPVDRT-GFCCVEGCSA-N -1 3 380.412 0.790 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ccn1 ZINC001571159517 952719661 /nfs/dbraw/zinc/71/96/61/952719661.db2.gz XGVIPLVXHPVDRT-GFCCVEGCSA-N -1 3 380.412 0.790 20 0 GCADHM Cc1ccncc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571160027 952722952 /nfs/dbraw/zinc/72/29/52/952722952.db2.gz BELZCPYLEDZUCA-GFCCVEGCSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1ccncc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571160027 952722956 /nfs/dbraw/zinc/72/29/56/952722956.db2.gz BELZCPYLEDZUCA-GFCCVEGCSA-N -1 3 380.412 0.933 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2ccccn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571160084 952723178 /nfs/dbraw/zinc/72/31/78/952723178.db2.gz DEINJAGWHVCTJC-LBPRGKRZSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2ccccn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571160084 952723181 /nfs/dbraw/zinc/72/31/81/952723181.db2.gz DEINJAGWHVCTJC-LBPRGKRZSA-N -1 3 380.412 0.872 20 0 GCADHM Cc1cnccc1CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571160330 952724736 /nfs/dbraw/zinc/72/47/36/952724736.db2.gz HDBRVYGBDNDBJR-AWEZNQCLSA-N -1 3 380.412 0.472 20 0 GCADHM Cc1cnccc1CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571160330 952724740 /nfs/dbraw/zinc/72/47/40/952724740.db2.gz HDBRVYGBDNDBJR-AWEZNQCLSA-N -1 3 380.412 0.472 20 0 GCADHM Cc1ccncc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571160265 952725482 /nfs/dbraw/zinc/72/54/82/952725482.db2.gz GBPALHZGJPNBHO-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM Cc1ccncc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571160265 952725483 /nfs/dbraw/zinc/72/54/83/952725483.db2.gz GBPALHZGJPNBHO-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3cccc(=O)n3C)C2)ccc1-c1nnn[n-]1 ZINC001571160607 952727150 /nfs/dbraw/zinc/72/71/50/952727150.db2.gz JYXBMUIDEDPVPU-TXEJJXNPSA-N -1 3 380.412 0.642 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3cccc(=O)n3C)C2)ccc1-c1nn[n-]n1 ZINC001571160607 952727158 /nfs/dbraw/zinc/72/71/58/952727158.db2.gz JYXBMUIDEDPVPU-TXEJJXNPSA-N -1 3 380.412 0.642 20 0 GCADHM Cn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571160795 952728228 /nfs/dbraw/zinc/72/82/28/952728228.db2.gz MAEMTPFZCCAXHP-BETUJISGSA-N -1 3 380.412 0.663 20 0 GCADHM Cn1cccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571160795 952728232 /nfs/dbraw/zinc/72/82/32/952728232.db2.gz MAEMTPFZCCAXHP-BETUJISGSA-N -1 3 380.412 0.663 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@H]2[C@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001571160844 952728240 /nfs/dbraw/zinc/72/82/40/952728240.db2.gz MZVDLJHSKAXQGV-DOMZBBRYSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@H]2[C@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001571160844 952728243 /nfs/dbraw/zinc/72/82/43/952728243.db2.gz MZVDLJHSKAXQGV-DOMZBBRYSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1)c1ccncn1 ZINC001571161053 952729308 /nfs/dbraw/zinc/72/93/08/952729308.db2.gz PQGSJJAQWFUDHO-HNNXBMFYSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1)c1ccncn1 ZINC001571161053 952729309 /nfs/dbraw/zinc/72/93/09/952729309.db2.gz PQGSJJAQWFUDHO-HNNXBMFYSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(Cc1cccnc1)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571161013 952729867 /nfs/dbraw/zinc/72/98/67/952729867.db2.gz OSZPNUROFLVKRQ-AWEZNQCLSA-N -1 3 380.412 0.553 20 0 GCADHM O=C(Cc1cccnc1)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571161013 952729881 /nfs/dbraw/zinc/72/98/81/952729881.db2.gz OSZPNUROFLVKRQ-AWEZNQCLSA-N -1 3 380.412 0.553 20 0 GCADHM O=C(c1ccncc1)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571161034 952729965 /nfs/dbraw/zinc/72/99/65/952729965.db2.gz PCLMVDGTVSOEMX-GOSISDBHSA-N -1 3 380.412 0.736 20 0 GCADHM O=C(c1ccncc1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571161034 952729969 /nfs/dbraw/zinc/72/99/69/952729969.db2.gz PCLMVDGTVSOEMX-GOSISDBHSA-N -1 3 380.412 0.736 20 0 GCADHM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001571162032 952737588 /nfs/dbraw/zinc/73/75/88/952737588.db2.gz IHTWYERVWMVWKP-NSHDSACASA-N -1 3 380.416 0.608 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)[nH]n1 ZINC001571162079 952738943 /nfs/dbraw/zinc/73/89/43/952738943.db2.gz JJTFFUHKPHQOAC-QWHCGFSZSA-N -1 3 380.416 0.572 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)[nH]n1 ZINC001571162079 952738945 /nfs/dbraw/zinc/73/89/45/952738945.db2.gz JJTFFUHKPHQOAC-QWHCGFSZSA-N -1 3 380.416 0.572 20 0 GCADHM Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)nnn1C ZINC001571162409 952742749 /nfs/dbraw/zinc/74/27/49/952742749.db2.gz SYBVNHQMXNOBMK-HONMWMINSA-N -1 3 380.416 0.238 20 0 GCADHM Cc1c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)nnn1C ZINC001571162409 952742755 /nfs/dbraw/zinc/74/27/55/952742755.db2.gz SYBVNHQMXNOBMK-HONMWMINSA-N -1 3 380.416 0.238 20 0 GCADHM CCc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)[nH]n1 ZINC001571162369 952742929 /nfs/dbraw/zinc/74/29/29/952742929.db2.gz SBRLRWZVZOWJIH-TXEJJXNPSA-N -1 3 380.416 0.436 20 0 GCADHM CCc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)[nH]n1 ZINC001571162369 952742934 /nfs/dbraw/zinc/74/29/34/952742934.db2.gz SBRLRWZVZOWJIH-TXEJJXNPSA-N -1 3 380.416 0.436 20 0 GCADHM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001571162633 952744843 /nfs/dbraw/zinc/74/48/43/952744843.db2.gz WSIBLOPLJWHVIA-MWLCHTKSSA-N -1 3 380.416 0.972 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1n[nH]c2c1CCCC2 ZINC001571165038 952747176 /nfs/dbraw/zinc/74/71/76/952747176.db2.gz BJZWSSGJLDHTMD-SNVBAGLBSA-N -1 3 380.416 0.267 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165158 952748184 /nfs/dbraw/zinc/74/81/84/952748184.db2.gz DKAPJONQHHVHHI-ZYHUDNBSSA-N -1 3 380.416 0.645 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165158 952748188 /nfs/dbraw/zinc/74/81/88/952748188.db2.gz DKAPJONQHHVHHI-ZYHUDNBSSA-N -1 3 380.416 0.645 20 0 GCADHM Cn1ncc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ncccc2-c2nnn[n-]2)n1 ZINC001571165184 952748668 /nfs/dbraw/zinc/74/86/68/952748668.db2.gz FHAXUCNBIKMRKP-KBPBESRZSA-N -1 3 380.416 0.274 20 0 GCADHM Cn1ncc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2ncccc2-c2nn[n-]n2)n1 ZINC001571165184 952748671 /nfs/dbraw/zinc/74/86/71/952748671.db2.gz FHAXUCNBIKMRKP-KBPBESRZSA-N -1 3 380.416 0.274 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571165481 952751130 /nfs/dbraw/zinc/75/11/30/952751130.db2.gz HVQVWFVUQKRZBO-KGLIPLIRSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571165481 952751132 /nfs/dbraw/zinc/75/11/32/952751132.db2.gz HVQVWFVUQKRZBO-KGLIPLIRSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001571165538 952752502 /nfs/dbraw/zinc/75/25/02/952752502.db2.gz JGMRFDWFFQQYDH-GHMZBOCLSA-N -1 3 380.416 0.195 20 0 GCADHM O=C([C@@H]1CCCn2ncnc21)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001571165832 952755703 /nfs/dbraw/zinc/75/57/03/952755703.db2.gz LUOODJGSZFMCTM-CYBMUJFWSA-N -1 3 380.416 0.079 20 0 GCADHM O=C([C@@H]1CCCn2ncnc21)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001571165832 952755706 /nfs/dbraw/zinc/75/57/06/952755706.db2.gz LUOODJGSZFMCTM-CYBMUJFWSA-N -1 3 380.416 0.079 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571166128 952758042 /nfs/dbraw/zinc/75/80/42/952758042.db2.gz OGMKOYSWLKCMLG-GFCCVEGCSA-N -1 3 380.416 0.423 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571166128 952758046 /nfs/dbraw/zinc/75/80/46/952758046.db2.gz OGMKOYSWLKCMLG-GFCCVEGCSA-N -1 3 380.416 0.423 20 0 GCADHM Cc1nc(N[C@@H]2CCCN(C(=O)c3nccnc3N)C2)ccc1-c1nnn[n-]1 ZINC001571166153 952758456 /nfs/dbraw/zinc/75/84/56/952758456.db2.gz OVPIDUROJCQNTI-LLVKDONJSA-N -1 3 380.416 0.659 20 0 GCADHM Cc1nc(N[C@@H]2CCCN(C(=O)c3nccnc3N)C2)ccc1-c1nn[n-]n1 ZINC001571166153 952758458 /nfs/dbraw/zinc/75/84/58/952758458.db2.gz OVPIDUROJCQNTI-LLVKDONJSA-N -1 3 380.416 0.659 20 0 GCADHM O=C(c1cc[nH]n1)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571166189 952758496 /nfs/dbraw/zinc/75/84/96/952758496.db2.gz PPZAUHGRLMUVJW-KRWDZBQOSA-N -1 3 380.416 0.513 20 0 GCADHM O=C(c1cc[nH]n1)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571166189 952758499 /nfs/dbraw/zinc/75/84/99/952758499.db2.gz PPZAUHGRLMUVJW-KRWDZBQOSA-N -1 3 380.416 0.513 20 0 GCADHM Cc1nc(C(=O)N2CC[C@H]3[C@@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001571166141 952758914 /nfs/dbraw/zinc/75/89/14/952758914.db2.gz OQCQLULJHNTOIX-FZMZJTMJSA-N -1 3 380.416 0.429 20 0 GCADHM O=C(Cc1nnc[nH]1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571166362 952760735 /nfs/dbraw/zinc/76/07/35/952760735.db2.gz RARJDKVNJHHRLO-BETUJISGSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(Cc1nnc[nH]1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571166362 952760739 /nfs/dbraw/zinc/76/07/39/952760739.db2.gz RARJDKVNJHHRLO-BETUJISGSA-N -1 3 380.416 0.192 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC001571166709 952764543 /nfs/dbraw/zinc/76/45/43/952764543.db2.gz ONBARQUSHABHND-NXEZZACHSA-N -1 3 380.430 0.638 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC001571166709 952764550 /nfs/dbraw/zinc/76/45/50/952764550.db2.gz ONBARQUSHABHND-NXEZZACHSA-N -1 3 380.430 0.638 20 0 GCADHM Cc1nc(NC[C@@H]2CCCN2C(=O)c2nccnc2N)ccc1-c1nnn[n-]1 ZINC001571166796 952765179 /nfs/dbraw/zinc/76/51/79/952765179.db2.gz WGINUZYVITVOKV-NSHDSACASA-N -1 3 380.416 0.659 20 0 GCADHM Cc1nc(NC[C@@H]2CCCN2C(=O)c2nccnc2N)ccc1-c1nn[n-]n1 ZINC001571166796 952765186 /nfs/dbraw/zinc/76/51/86/952765186.db2.gz WGINUZYVITVOKV-NSHDSACASA-N -1 3 380.416 0.659 20 0 GCADHM Nc1nccnc1C(=O)NC[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571166809 952765479 /nfs/dbraw/zinc/76/54/79/952765479.db2.gz WJEYVOWVLQLHDT-NSHDSACASA-N -1 3 380.416 0.280 20 0 GCADHM Nc1nccnc1C(=O)NC[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571166809 952765482 /nfs/dbraw/zinc/76/54/82/952765482.db2.gz WJEYVOWVLQLHDT-NSHDSACASA-N -1 3 380.416 0.280 20 0 GCADHM Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001571166828 952765693 /nfs/dbraw/zinc/76/56/93/952765693.db2.gz WYCDKXJTEHFWHV-YOGCLGLASA-N -1 3 380.416 0.320 20 0 GCADHM Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001571166828 952765695 /nfs/dbraw/zinc/76/56/95/952765695.db2.gz WYCDKXJTEHFWHV-YOGCLGLASA-N -1 3 380.416 0.320 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC001571167055 952769266 /nfs/dbraw/zinc/76/92/66/952769266.db2.gz UNWQQRXJHWTMFC-JTQLQIEISA-N -1 3 380.430 0.016 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC001571167055 952769269 /nfs/dbraw/zinc/76/92/69/952769269.db2.gz UNWQQRXJHWTMFC-JTQLQIEISA-N -1 3 380.430 0.016 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001571170001 952781577 /nfs/dbraw/zinc/78/15/77/952781577.db2.gz CCXIEPWAPBETSK-NHYWBVRUSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001571170001 952781579 /nfs/dbraw/zinc/78/15/79/952781579.db2.gz CCXIEPWAPBETSK-NHYWBVRUSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571170212 952785047 /nfs/dbraw/zinc/78/50/47/952785047.db2.gz GEPWEDRGSFBVSU-ONGXEEELSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571170212 952785049 /nfs/dbraw/zinc/78/50/49/952785049.db2.gz GEPWEDRGSFBVSU-ONGXEEELSA-N -1 3 381.400 0.404 20 0 GCADHM CCc1ncncc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571170373 952785116 /nfs/dbraw/zinc/78/51/16/952785116.db2.gz HTEJNWFYUNWAFC-SNVBAGLBSA-N -1 3 381.400 0.192 20 0 GCADHM CCc1ncncc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571170373 952785119 /nfs/dbraw/zinc/78/51/19/952785119.db2.gz HTEJNWFYUNWAFC-SNVBAGLBSA-N -1 3 381.400 0.192 20 0 GCADHM CN(C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)c1cc(-c2nnn[n-]2)ccn1 ZINC001571170410 952786234 /nfs/dbraw/zinc/78/62/34/952786234.db2.gz JBZXCMRIMGKECO-GFCCVEGCSA-N -1 3 381.400 0.401 20 0 GCADHM CN(C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)c1cc(-c2nn[n-]n2)ccn1 ZINC001571170410 952786238 /nfs/dbraw/zinc/78/62/38/952786238.db2.gz JBZXCMRIMGKECO-GFCCVEGCSA-N -1 3 381.400 0.401 20 0 GCADHM CCOc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001571170717 952787905 /nfs/dbraw/zinc/78/79/05/952787905.db2.gz KYMAZPZXMTTZRS-GFCCVEGCSA-N -1 3 381.400 0.777 20 0 GCADHM CCOc1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001571170717 952787912 /nfs/dbraw/zinc/78/79/12/952787912.db2.gz KYMAZPZXMTTZRS-GFCCVEGCSA-N -1 3 381.400 0.777 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571171097 952791392 /nfs/dbraw/zinc/79/13/92/952791392.db2.gz OHUXIPZVYBHKNW-GXFFZTMASA-N -1 3 381.400 0.545 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571171097 952791393 /nfs/dbraw/zinc/79/13/93/952791393.db2.gz OHUXIPZVYBHKNW-GXFFZTMASA-N -1 3 381.400 0.545 20 0 GCADHM O=C(Cc1ccco1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571171114 952792110 /nfs/dbraw/zinc/79/21/10/952792110.db2.gz PBTOCIAPKLRSLG-ZLDLUXBVSA-N -1 3 381.396 0.892 20 0 GCADHM O=C(Cc1ccco1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571171114 952792114 /nfs/dbraw/zinc/79/21/14/952792114.db2.gz PBTOCIAPKLRSLG-ZLDLUXBVSA-N -1 3 381.396 0.892 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571171404 952792470 /nfs/dbraw/zinc/79/24/70/952792470.db2.gz SIXOJXAUVKCXGW-ONGXEEELSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571171404 952792475 /nfs/dbraw/zinc/79/24/75/952792475.db2.gz SIXOJXAUVKCXGW-ONGXEEELSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571171402 952792586 /nfs/dbraw/zinc/79/25/86/952792586.db2.gz SIXOJXAUVKCXGW-MWLCHTKSSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571171402 952792589 /nfs/dbraw/zinc/79/25/89/952792589.db2.gz SIXOJXAUVKCXGW-MWLCHTKSSA-N -1 3 381.400 0.404 20 0 GCADHM CC1(C)CN(C(=O)c2ccncn2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571171331 952793120 /nfs/dbraw/zinc/79/31/20/952793120.db2.gz QXEAJEVVZJBDJI-ZDUSSCGKSA-N -1 3 381.400 0.265 20 0 GCADHM CC1(C)CN(C(=O)c2ccncn2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571171331 952793125 /nfs/dbraw/zinc/79/31/25/952793125.db2.gz QXEAJEVVZJBDJI-ZDUSSCGKSA-N -1 3 381.400 0.265 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)[C@H]1CC(c2cccnc2)=NO1 ZINC001571171569 952794569 /nfs/dbraw/zinc/79/45/69/952794569.db2.gz CIUWTQZFCJAMTC-LLVKDONJSA-N -1 3 381.356 0.120 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)[C@H]1CC(c2cccnc2)=NO1 ZINC001571171569 952794573 /nfs/dbraw/zinc/79/45/73/952794573.db2.gz CIUWTQZFCJAMTC-LLVKDONJSA-N -1 3 381.356 0.120 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)[C@@H]1CC(c2cccnc2)=NO1 ZINC001571171570 952795080 /nfs/dbraw/zinc/79/50/80/952795080.db2.gz CIUWTQZFCJAMTC-NSHDSACASA-N -1 3 381.356 0.120 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)[C@@H]1CC(c2cccnc2)=NO1 ZINC001571171570 952795082 /nfs/dbraw/zinc/79/50/82/952795082.db2.gz CIUWTQZFCJAMTC-NSHDSACASA-N -1 3 381.356 0.120 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1NC(=O)c1ncccn1 ZINC001571171632 952795242 /nfs/dbraw/zinc/79/52/42/952795242.db2.gz UKMQULACJUGWKB-LBPRGKRZSA-N -1 3 381.400 0.265 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1NC(=O)c1ncccn1 ZINC001571171632 952795247 /nfs/dbraw/zinc/79/52/47/952795247.db2.gz UKMQULACJUGWKB-LBPRGKRZSA-N -1 3 381.400 0.265 20 0 GCADHM Cc1ccoc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571171872 952797765 /nfs/dbraw/zinc/79/77/65/952797765.db2.gz YMQAAZVKMNVNGG-XYYAHUGASA-N -1 3 381.396 0.844 20 0 GCADHM Cc1ccoc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571171872 952797768 /nfs/dbraw/zinc/79/77/68/952797768.db2.gz YMQAAZVKMNVNGG-XYYAHUGASA-N -1 3 381.396 0.844 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001571171856 952798473 /nfs/dbraw/zinc/79/84/73/952798473.db2.gz YJTBGFJXCQFAEG-BRWVUGGUSA-N -1 3 381.392 0.551 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001571171856 952798476 /nfs/dbraw/zinc/79/84/76/952798476.db2.gz YJTBGFJXCQFAEG-BRWVUGGUSA-N -1 3 381.392 0.551 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001571172845 952809431 /nfs/dbraw/zinc/80/94/31/952809431.db2.gz ZHPFWGOOMBMIJZ-NSHDSACASA-N -1 3 381.352 0.314 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)[C@@H]1Cc2ccccc2C(=O)O1 ZINC001571172845 952809437 /nfs/dbraw/zinc/80/94/37/952809437.db2.gz ZHPFWGOOMBMIJZ-NSHDSACASA-N -1 3 381.352 0.314 20 0 GCADHM COc1ccc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)nn1 ZINC001571174643 952810734 /nfs/dbraw/zinc/81/07/34/952810734.db2.gz CZWQICCXJMUUNE-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM COc1ccc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)nn1 ZINC001571174643 952810740 /nfs/dbraw/zinc/81/07/40/952810740.db2.gz CZWQICCXJMUUNE-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM COc1ncc(C(=O)N[C@]2(C)CCN(c3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571174620 952811501 /nfs/dbraw/zinc/81/15/01/952811501.db2.gz CBEYQLXSERFHHB-QGZVFWFLSA-N -1 3 381.400 0.459 20 0 GCADHM COc1ncc(C(=O)N[C@]2(C)CCN(c3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571174620 952811510 /nfs/dbraw/zinc/81/15/10/952811510.db2.gz CBEYQLXSERFHHB-QGZVFWFLSA-N -1 3 381.400 0.459 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3CN(C(=O)c4cnon4)C[C@]3(C)C2)n1 ZINC001571174746 952813868 /nfs/dbraw/zinc/81/38/68/952813868.db2.gz HCHNOEOQIAOKNF-DIFFPNOSSA-N -1 3 381.400 0.552 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3CN(C(=O)c4cnon4)C[C@]3(C)C2)n1 ZINC001571174746 952813874 /nfs/dbraw/zinc/81/38/74/952813874.db2.gz HCHNOEOQIAOKNF-DIFFPNOSSA-N -1 3 381.400 0.552 20 0 GCADHM COc1nn(C)cc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571174760 952814566 /nfs/dbraw/zinc/81/45/66/952814566.db2.gz HNYBCILIKWHPJB-RYUDHWBXSA-N -1 3 381.400 0.107 20 0 GCADHM COc1nn(C)cc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571174760 952814569 /nfs/dbraw/zinc/81/45/69/952814569.db2.gz HNYBCILIKWHPJB-RYUDHWBXSA-N -1 3 381.400 0.107 20 0 GCADHM COC(=O)c1nccnc1N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571174879 952815331 /nfs/dbraw/zinc/81/53/31/952815331.db2.gz LJKRMOMEDGDSFH-GFCCVEGCSA-N -1 3 381.400 0.919 20 0 GCADHM COC(=O)c1nccnc1N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571174879 952815334 /nfs/dbraw/zinc/81/53/34/952815334.db2.gz LJKRMOMEDGDSFH-GFCCVEGCSA-N -1 3 381.400 0.919 20 0 GCADHM COc1cnc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)nc1 ZINC001571175081 952818658 /nfs/dbraw/zinc/81/86/58/952818658.db2.gz PBFJXPQOGLDICH-UHFFFAOYSA-N -1 3 381.400 0.413 20 0 GCADHM COc1cnc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)nc1 ZINC001571175081 952818662 /nfs/dbraw/zinc/81/86/62/952818662.db2.gz PBFJXPQOGLDICH-UHFFFAOYSA-N -1 3 381.400 0.413 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNC(=O)c2cccnn2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571175295 952818934 /nfs/dbraw/zinc/81/89/34/952818934.db2.gz AJPFSLJRTMYYEA-QWRGUYRKSA-N -1 3 381.400 0.313 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNC(=O)c2cccnn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571175295 952818940 /nfs/dbraw/zinc/81/89/40/952818940.db2.gz AJPFSLJRTMYYEA-QWRGUYRKSA-N -1 3 381.400 0.313 20 0 GCADHM COc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)[C@H]2C)nn1 ZINC001571175277 952819011 /nfs/dbraw/zinc/81/90/11/952819011.db2.gz RLZDFCVIYRUWIL-PWSUYJOCSA-N -1 3 381.400 0.775 20 0 GCADHM COc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)[C@H]2C)nn1 ZINC001571175277 952819018 /nfs/dbraw/zinc/81/90/18/952819018.db2.gz RLZDFCVIYRUWIL-PWSUYJOCSA-N -1 3 381.400 0.775 20 0 GCADHM Cc1nonc1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@]2(C)C1 ZINC001571175366 952821395 /nfs/dbraw/zinc/82/13/95/952821395.db2.gz BJEVZCLSZBQBIZ-DIFFPNOSSA-N -1 3 381.400 0.552 20 0 GCADHM Cc1nonc1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@]2(C)C1 ZINC001571175366 952821400 /nfs/dbraw/zinc/82/14/00/952821400.db2.gz BJEVZCLSZBQBIZ-DIFFPNOSSA-N -1 3 381.400 0.552 20 0 GCADHM Cc1nc[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571175582 952822739 /nfs/dbraw/zinc/82/27/39/952822739.db2.gz VRZZQIZHSUBTQG-ICCXJUOJSA-N -1 3 381.400 0.402 20 0 GCADHM O=C(N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1)c1cnc[nH]c1=O ZINC001571175649 952823313 /nfs/dbraw/zinc/82/33/13/952823313.db2.gz DCNXKXFCUBPASJ-ZWNOBZJWSA-N -1 3 381.400 0.768 20 0 GCADHM Cc1ncncc1C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571175743 952825323 /nfs/dbraw/zinc/82/53/23/952825323.db2.gz GTOXKGLGMSBAFX-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1ncncc1C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571175743 952825331 /nfs/dbraw/zinc/82/53/31/952825331.db2.gz GTOXKGLGMSBAFX-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)c1[O-] ZINC001571175778 952827150 /nfs/dbraw/zinc/82/71/50/952827150.db2.gz ZOCFXKVQPDHFGH-PJXYFTJBSA-N -1 3 381.400 0.172 20 0 GCADHM Cc1nnccc1C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571176088 952827569 /nfs/dbraw/zinc/82/75/69/952827569.db2.gz KRPXFUDUFIWNGS-GFCCVEGCSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1nnccc1C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571176088 952827573 /nfs/dbraw/zinc/82/75/73/952827573.db2.gz KRPXFUDUFIWNGS-GFCCVEGCSA-N -1 3 381.400 0.280 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)ccn2)cn1 ZINC001571176128 952829260 /nfs/dbraw/zinc/82/92/60/952829260.db2.gz LZJSOPLPUGDUFH-ZDUSSCGKSA-N -1 3 381.400 0.030 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)ccn2)cn1 ZINC001571176128 952829264 /nfs/dbraw/zinc/82/92/64/952829264.db2.gz LZJSOPLPUGDUFH-ZDUSSCGKSA-N -1 3 381.400 0.030 20 0 GCADHM Cn1nc(C2CC2)nc1CC(=O)Nc1ncc2c(c1-c1nnn[n-]1)COCC2 ZINC001571176311 952830747 /nfs/dbraw/zinc/83/07/47/952830747.db2.gz OZESTCPHAXLTAT-UHFFFAOYSA-N -1 3 381.400 0.522 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571176385 952830908 /nfs/dbraw/zinc/83/09/08/952830908.db2.gz QXUCDLICUREVDM-BXKDBHETSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571176385 952830913 /nfs/dbraw/zinc/83/09/13/952830913.db2.gz QXUCDLICUREVDM-BXKDBHETSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cnc(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571176328 952831124 /nfs/dbraw/zinc/83/11/24/952831124.db2.gz PQFWIWCJNWYRFO-LBPRGKRZSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1cnc(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571176328 952831126 /nfs/dbraw/zinc/83/11/26/952831126.db2.gz PQFWIWCJNWYRFO-LBPRGKRZSA-N -1 3 381.400 0.313 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2cccnn2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571176465 952832107 /nfs/dbraw/zinc/83/21/07/952832107.db2.gz RDYQRKIEYSLNTQ-QWRGUYRKSA-N -1 3 381.400 0.313 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2cccnn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571176465 952832111 /nfs/dbraw/zinc/83/21/11/952832111.db2.gz RDYQRKIEYSLNTQ-QWRGUYRKSA-N -1 3 381.400 0.313 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)[nH]1 ZINC001571176594 952833077 /nfs/dbraw/zinc/83/30/77/952833077.db2.gz VNSNDOLLMZZQHQ-SNVBAGLBSA-N -1 3 381.400 0.405 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)[nH]1 ZINC001571176594 952833081 /nfs/dbraw/zinc/83/30/81/952833081.db2.gz VNSNDOLLMZZQHQ-SNVBAGLBSA-N -1 3 381.400 0.405 20 0 GCADHM Cc1nc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)c(=O)[nH]c1C ZINC001571176570 952833784 /nfs/dbraw/zinc/83/37/84/952833784.db2.gz UZGNMXJWVRMCSQ-LLVKDONJSA-N -1 3 381.400 0.288 20 0 GCADHM Cc1nc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)c(=O)[nH]c1C ZINC001571176570 952833788 /nfs/dbraw/zinc/83/37/88/952833788.db2.gz UZGNMXJWVRMCSQ-LLVKDONJSA-N -1 3 381.400 0.288 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)c1cc2n(n1)CCCO2 ZINC001571176816 952834592 /nfs/dbraw/zinc/83/45/92/952834592.db2.gz YGDISIKITHEGKM-TXEJJXNPSA-N -1 3 381.400 0.614 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)c1cc2n(n1)CCCO2 ZINC001571176816 952834597 /nfs/dbraw/zinc/83/45/97/952834597.db2.gz YGDISIKITHEGKM-TXEJJXNPSA-N -1 3 381.400 0.614 20 0 GCADHM O=C(N[C@@H]1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001571176866 952835891 /nfs/dbraw/zinc/83/58/91/952835891.db2.gz YXWNGKUBBCETBH-WDEREUQCSA-N -1 3 381.400 0.910 20 0 GCADHM O=C(N[C@@H]1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)c1ccc(=O)[nH]n1 ZINC001571176866 952835899 /nfs/dbraw/zinc/83/58/99/952835899.db2.gz YXWNGKUBBCETBH-WDEREUQCSA-N -1 3 381.400 0.910 20 0 GCADHM O=C(N[C@H]1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001571176863 952836159 /nfs/dbraw/zinc/83/61/59/952836159.db2.gz YXWNGKUBBCETBH-QWRGUYRKSA-N -1 3 381.400 0.910 20 0 GCADHM O=C(N[C@H]1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)c1ccc(=O)[nH]n1 ZINC001571176863 952836167 /nfs/dbraw/zinc/83/61/67/952836167.db2.gz YXWNGKUBBCETBH-QWRGUYRKSA-N -1 3 381.400 0.910 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176941 952836350 /nfs/dbraw/zinc/83/63/50/952836350.db2.gz ZWCDAJVKMKRUKT-JQWIXIFHSA-N -1 3 381.400 0.356 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176941 952836357 /nfs/dbraw/zinc/83/63/57/952836357.db2.gz ZWCDAJVKMKRUKT-JQWIXIFHSA-N -1 3 381.400 0.356 20 0 GCADHM O=C(c1ccc(=O)[nH]n1)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571178811 952848382 /nfs/dbraw/zinc/84/83/82/952848382.db2.gz VGDDWBKQLFKODB-NSHDSACASA-N -1 3 381.400 0.722 20 0 GCADHM O=C(c1ccc(=O)[nH]n1)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571178811 952848388 /nfs/dbraw/zinc/84/83/88/952848388.db2.gz VGDDWBKQLFKODB-NSHDSACASA-N -1 3 381.400 0.722 20 0 GCADHM O=C(c1cnn2c1OCCC2)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571178903 952849004 /nfs/dbraw/zinc/84/90/04/952849004.db2.gz XITCPBXKDLSJQZ-LBPRGKRZSA-N -1 3 381.400 0.567 20 0 GCADHM O=C(c1cnn2c1OCCC2)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571178903 952849013 /nfs/dbraw/zinc/84/90/13/952849013.db2.gz XITCPBXKDLSJQZ-LBPRGKRZSA-N -1 3 381.400 0.567 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571179442 952853407 /nfs/dbraw/zinc/85/34/07/952853407.db2.gz DWBGZLKQXNAGHX-IPNGBCKKSA-N -1 3 381.440 0.818 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571179442 952853413 /nfs/dbraw/zinc/85/34/13/952853413.db2.gz DWBGZLKQXNAGHX-IPNGBCKKSA-N -1 3 381.440 0.818 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571179498 952853630 /nfs/dbraw/zinc/85/36/30/952853630.db2.gz FJLVRBLKKJKCGM-NOGCVJDZSA-N -1 3 381.440 0.772 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571179498 952853637 /nfs/dbraw/zinc/85/36/37/952853637.db2.gz FJLVRBLKKJKCGM-NOGCVJDZSA-N -1 3 381.440 0.772 20 0 GCADHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001571179953 952857274 /nfs/dbraw/zinc/85/72/74/952857274.db2.gz KZASURKSJHZMEN-UHFFFAOYSA-N -1 3 381.443 0.186 20 0 GCADHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC001571179953 952857278 /nfs/dbraw/zinc/85/72/78/952857278.db2.gz KZASURKSJHZMEN-UHFFFAOYSA-N -1 3 381.443 0.186 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001571180255 952858564 /nfs/dbraw/zinc/85/85/64/952858564.db2.gz NOGBMLJEAFCAFO-QGZVFWFLSA-N -1 3 381.440 0.836 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001571180255 952858567 /nfs/dbraw/zinc/85/85/67/952858567.db2.gz NOGBMLJEAFCAFO-QGZVFWFLSA-N -1 3 381.440 0.836 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571180484 952860389 /nfs/dbraw/zinc/86/03/89/952860389.db2.gz PKWALWPWORBZIG-UHFFFAOYSA-N -1 3 381.444 0.930 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571180484 952860393 /nfs/dbraw/zinc/86/03/93/952860393.db2.gz PKWALWPWORBZIG-UHFFFAOYSA-N -1 3 381.444 0.930 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571181001 952861549 /nfs/dbraw/zinc/86/15/49/952861549.db2.gz SUXWKMIRGIUCMW-NENRRYLJSA-N -1 3 381.440 0.818 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001571181001 952861552 /nfs/dbraw/zinc/86/15/52/952861552.db2.gz SUXWKMIRGIUCMW-NENRRYLJSA-N -1 3 381.440 0.818 20 0 GCADHM C[C@H](c1ccccc1)[C@H](O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571183031 952872233 /nfs/dbraw/zinc/87/22/33/952872233.db2.gz MGIDZEBHVINRCY-SJKOYZFVSA-N -1 3 381.440 0.773 20 0 GCADHM C[C@H](c1ccccc1)[C@H](O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571183031 952872239 /nfs/dbraw/zinc/87/22/39/952872239.db2.gz MGIDZEBHVINRCY-SJKOYZFVSA-N -1 3 381.440 0.773 20 0 GCADHM CCc1c[nH]c(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)n1 ZINC001571183929 952885231 /nfs/dbraw/zinc/88/52/31/952885231.db2.gz MWDJVICWOWKXTO-CYBMUJFWSA-N -1 3 381.444 0.793 20 0 GCADHM CCc1nn(C)cc1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571184239 952890115 /nfs/dbraw/zinc/89/01/15/952890115.db2.gz UMRWUSNCOKFORZ-UHFFFAOYSA-N -1 3 381.444 0.910 20 0 GCADHM CCc1nn(C)cc1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571184239 952890119 /nfs/dbraw/zinc/89/01/19/952890119.db2.gz UMRWUSNCOKFORZ-UHFFFAOYSA-N -1 3 381.444 0.910 20 0 GCADHM C[C@H]1CN(C(=O)Cc2ccn(C)n2)CC[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571184433 952894283 /nfs/dbraw/zinc/89/42/83/952894283.db2.gz ZFXZHAUGTDWELT-WFASDCNBSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H]1CN(C(=O)Cc2ccn(C)n2)CC[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571184433 952894294 /nfs/dbraw/zinc/89/42/94/952894294.db2.gz ZFXZHAUGTDWELT-WFASDCNBSA-N -1 3 381.444 0.887 20 0 GCADHM Cc1c(C(=O)NC[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)cnn1C ZINC001571185001 952898062 /nfs/dbraw/zinc/89/80/62/952898062.db2.gz GMPQHQDFKQFTFH-ZDUSSCGKSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1c(C(=O)NC[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)cnn1C ZINC001571185001 952898072 /nfs/dbraw/zinc/89/80/72/952898072.db2.gz GMPQHQDFKQFTFH-ZDUSSCGKSA-N -1 3 381.444 0.950 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)CCn1cccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571184869 952898247 /nfs/dbraw/zinc/89/82/47/952898247.db2.gz GAVUWXGHJLAWOV-HNNXBMFYSA-N -1 3 381.444 0.976 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)CCn1cccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571184869 952898255 /nfs/dbraw/zinc/89/82/55/952898255.db2.gz GAVUWXGHJLAWOV-HNNXBMFYSA-N -1 3 381.444 0.976 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001571186786 952909255 /nfs/dbraw/zinc/90/92/55/952909255.db2.gz ZNXIPYCQACNACW-ZDUSSCGKSA-N -1 3 381.444 1.000 20 0 GCADHM Cc1cnc(CN[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2(C)C)nc1 ZINC001571187902 952910073 /nfs/dbraw/zinc/91/00/73/952910073.db2.gz CQHVLOHDPKQXND-AWEZNQCLSA-N -1 3 381.444 0.934 20 0 GCADHM Cc1cnc(CN[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2(C)C)nc1 ZINC001571187902 952910076 /nfs/dbraw/zinc/91/00/76/952910076.db2.gz CQHVLOHDPKQXND-AWEZNQCLSA-N -1 3 381.444 0.934 20 0 GCADHM Cc1ccnn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)C1 ZINC001571188159 952912130 /nfs/dbraw/zinc/91/21/30/952912130.db2.gz HCJRXVAJNGQQQV-UONOGXRCSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1ccnn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)C1 ZINC001571188159 952912133 /nfs/dbraw/zinc/91/21/33/952912133.db2.gz HCJRXVAJNGQQQV-UONOGXRCSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1ccnn1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC001571188158 952912743 /nfs/dbraw/zinc/91/27/43/952912743.db2.gz HCJRXVAJNGQQQV-KGLIPLIRSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1ccnn1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC001571188158 952912745 /nfs/dbraw/zinc/91/27/45/952912745.db2.gz HCJRXVAJNGQQQV-KGLIPLIRSA-N -1 3 381.444 0.940 20 0 GCADHM Cn1cncc1CC(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571188451 952915164 /nfs/dbraw/zinc/91/51/64/952915164.db2.gz AUPPDQLDERONPT-ZDUSSCGKSA-N -1 3 381.444 0.713 20 0 GCADHM Cn1cncc1CC(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571188451 952915166 /nfs/dbraw/zinc/91/51/66/952915166.db2.gz AUPPDQLDERONPT-ZDUSSCGKSA-N -1 3 381.444 0.713 20 0 GCADHM Cn1cc(CC(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC001571188669 952917900 /nfs/dbraw/zinc/91/79/00/952917900.db2.gz FXCYELAECAEWLS-UHFFFAOYSA-N -1 3 381.444 0.888 20 0 GCADHM Cn1cc(CC(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC001571188669 952917902 /nfs/dbraw/zinc/91/79/02/952917902.db2.gz FXCYELAECAEWLS-UHFFFAOYSA-N -1 3 381.444 0.888 20 0 GCADHM Cc1c(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)cnn1C ZINC001571188690 952917907 /nfs/dbraw/zinc/91/79/07/952917907.db2.gz GIPCDOIDZBIBBI-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1c(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)cnn1C ZINC001571188690 952917910 /nfs/dbraw/zinc/91/79/10/952917910.db2.gz GIPCDOIDZBIBBI-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1c(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)cnn1C ZINC001571188692 952918773 /nfs/dbraw/zinc/91/87/73/952918773.db2.gz GIPCDOIDZBIBBI-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1c(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)cnn1C ZINC001571188692 952918777 /nfs/dbraw/zinc/91/87/77/952918777.db2.gz GIPCDOIDZBIBBI-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C ZINC001571188753 952919211 /nfs/dbraw/zinc/91/92/11/952919211.db2.gz HWHJAHPCJHHQQQ-OAHLLOKOSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C ZINC001571188753 952919216 /nfs/dbraw/zinc/91/92/16/952919216.db2.gz HWHJAHPCJHHQQQ-OAHLLOKOSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ncc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)cn3)C2)n1C ZINC001571188794 952921036 /nfs/dbraw/zinc/92/10/36/952921036.db2.gz JKFAKIVFKIZWSX-ZDUSSCGKSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1ncc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)cn3)C2)n1C ZINC001571188794 952921040 /nfs/dbraw/zinc/92/10/40/952921040.db2.gz JKFAKIVFKIZWSX-ZDUSSCGKSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1cn(C)nc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571189079 952923678 /nfs/dbraw/zinc/92/36/78/952923678.db2.gz RQRLGLOIPQYDIM-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cn(C)nc1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571189079 952923679 /nfs/dbraw/zinc/92/36/79/952923679.db2.gz RQRLGLOIPQYDIM-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cn1ccnc1CN1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@]2(C)C1 ZINC001571189339 952928039 /nfs/dbraw/zinc/92/80/39/952928039.db2.gz QAECPGWTDUQZET-ACJLOTCBSA-N -1 3 381.444 0.522 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](C)[C@H](NC(=O)[C@@H](C)n3cccn3)C2)n1 ZINC001571189560 952930635 /nfs/dbraw/zinc/93/06/35/952930635.db2.gz XJSIJYIVPMPXFG-UXIGCNINSA-N -1 3 381.444 0.969 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](C)[C@H](NC(=O)[C@@H](C)n3cccn3)C2)n1 ZINC001571189560 952930642 /nfs/dbraw/zinc/93/06/42/952930642.db2.gz XJSIJYIVPMPXFG-UXIGCNINSA-N -1 3 381.444 0.969 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@H]2CCCN2C(=O)Cn2cccn2)n1 ZINC001571189508 952931033 /nfs/dbraw/zinc/93/10/33/952931033.db2.gz WLYGMTBLPQQPMP-CQSZACIVSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@H]2CCCN2C(=O)Cn2cccn2)n1 ZINC001571189508 952931039 /nfs/dbraw/zinc/93/10/39/952931039.db2.gz WLYGMTBLPQQPMP-CQSZACIVSA-N -1 3 381.444 0.894 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2cc3n(n2)CCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571189749 952935235 /nfs/dbraw/zinc/93/52/35/952935235.db2.gz TYJHFGANLADSPI-ZDUSSCGKSA-N -1 3 381.444 0.732 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2cc3n(n2)CCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571189749 952935237 /nfs/dbraw/zinc/93/52/37/952935237.db2.gz TYJHFGANLADSPI-ZDUSSCGKSA-N -1 3 381.444 0.732 20 0 GCADHM C[C@H]1C[C@H]1C(=O)N1CCN(C2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001571190448 952941710 /nfs/dbraw/zinc/94/17/10/952941710.db2.gz IPMBTKZDDXRNOH-KBXCAEBGSA-N -1 3 381.484 0.851 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571193936 952955101 /nfs/dbraw/zinc/95/51/01/952955101.db2.gz BHJRFRXNZRZMDY-KOLCDFICSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571193936 952955107 /nfs/dbraw/zinc/95/51/07/952955107.db2.gz BHJRFRXNZRZMDY-KOLCDFICSA-N -1 3 382.384 0.328 20 0 GCADHM COc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)ccc2-c2nnn[n-]2)on1 ZINC001571194002 952955639 /nfs/dbraw/zinc/95/56/39/952955639.db2.gz DRVBLJRSDVDPCI-QWRGUYRKSA-N -1 3 382.384 0.670 20 0 GCADHM COc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)ccc2-c2nn[n-]n2)on1 ZINC001571194002 952955640 /nfs/dbraw/zinc/95/56/40/952955640.db2.gz DRVBLJRSDVDPCI-QWRGUYRKSA-N -1 3 382.384 0.670 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ocnc1C1CC1 ZINC001571193978 952955739 /nfs/dbraw/zinc/95/57/39/952955739.db2.gz CLUVTTRFLBSREQ-NSHDSACASA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ocnc1C1CC1 ZINC001571193978 952955742 /nfs/dbraw/zinc/95/57/42/952955742.db2.gz CLUVTTRFLBSREQ-NSHDSACASA-N -1 3 382.384 0.705 20 0 GCADHM COC(=O)C1(NC(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC001571194085 952956547 /nfs/dbraw/zinc/95/65/47/952956547.db2.gz FSSCQFQSOAMPRH-UHFFFAOYSA-N -1 3 382.384 0.939 20 0 GCADHM COC(=O)C1(NC(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC001571194085 952956553 /nfs/dbraw/zinc/95/65/53/952956553.db2.gz FSSCQFQSOAMPRH-UHFFFAOYSA-N -1 3 382.384 0.939 20 0 GCADHM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194059 952956805 /nfs/dbraw/zinc/95/68/05/952956805.db2.gz FNCLVKSMEZHMDG-NOZJJQNGSA-N -1 3 382.384 0.186 20 0 GCADHM C[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194059 952956811 /nfs/dbraw/zinc/95/68/11/952956811.db2.gz FNCLVKSMEZHMDG-NOZJJQNGSA-N -1 3 382.384 0.186 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)o1 ZINC001571194024 952957226 /nfs/dbraw/zinc/95/72/26/952957226.db2.gz FARIAQWCHJSGGK-SNVBAGLBSA-N -1 3 382.384 0.670 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)o1 ZINC001571194024 952957230 /nfs/dbraw/zinc/95/72/30/952957230.db2.gz FARIAQWCHJSGGK-SNVBAGLBSA-N -1 3 382.384 0.670 20 0 GCADHM COc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cnon2)cc1-c1nnn[n-]1 ZINC001571194125 952958022 /nfs/dbraw/zinc/95/80/22/952958022.db2.gz GSHOSMSBTBARAI-RYUDHWBXSA-N -1 3 382.384 0.357 20 0 GCADHM COc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cnon2)cc1-c1nn[n-]n1 ZINC001571194125 952958030 /nfs/dbraw/zinc/95/80/30/952958030.db2.gz GSHOSMSBTBARAI-RYUDHWBXSA-N -1 3 382.384 0.357 20 0 GCADHM COc1cccc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571194121 952958350 /nfs/dbraw/zinc/95/83/50/952958350.db2.gz GQHGILNHFSHYEA-NSHDSACASA-N -1 3 382.384 0.243 20 0 GCADHM COc1cccc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571194121 952958354 /nfs/dbraw/zinc/95/83/54/952958354.db2.gz GQHGILNHFSHYEA-NSHDSACASA-N -1 3 382.384 0.243 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194203 952960180 /nfs/dbraw/zinc/96/01/80/952960180.db2.gz ISTKRFXUMPASSF-GFCCVEGCSA-N -1 3 382.384 0.330 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194203 952960186 /nfs/dbraw/zinc/96/01/86/952960186.db2.gz ISTKRFXUMPASSF-GFCCVEGCSA-N -1 3 382.384 0.330 20 0 GCADHM Cc1nc(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)co1 ZINC001571194526 952964619 /nfs/dbraw/zinc/96/46/19/952964619.db2.gz OLUIJGPQEFGODZ-QMTHXVAHSA-N -1 3 382.384 0.478 20 0 GCADHM Cc1nc(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)co1 ZINC001571194526 952964623 /nfs/dbraw/zinc/96/46/23/952964623.db2.gz OLUIJGPQEFGODZ-QMTHXVAHSA-N -1 3 382.384 0.478 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)o1 ZINC001571194820 952969684 /nfs/dbraw/zinc/96/96/84/952969684.db2.gz RSEJDYDROILHBZ-JTQLQIEISA-N -1 3 382.384 0.352 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)o1 ZINC001571194820 952969689 /nfs/dbraw/zinc/96/96/89/952969689.db2.gz RSEJDYDROILHBZ-JTQLQIEISA-N -1 3 382.384 0.352 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)on1 ZINC001571194897 952970000 /nfs/dbraw/zinc/97/00/00/952970000.db2.gz VGKRFVGZGTWZTB-GXFFZTMASA-N -1 3 382.384 0.478 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)on1 ZINC001571194897 952970003 /nfs/dbraw/zinc/97/00/03/952970003.db2.gz VGKRFVGZGTWZTB-GXFFZTMASA-N -1 3 382.384 0.478 20 0 GCADHM COc1cccnc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571194825 952970008 /nfs/dbraw/zinc/97/00/08/952970008.db2.gz RWARDRZLLRJLHK-SNVBAGLBSA-N -1 3 382.384 0.243 20 0 GCADHM COc1cccnc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571194825 952970012 /nfs/dbraw/zinc/97/00/12/952970012.db2.gz RWARDRZLLRJLHK-SNVBAGLBSA-N -1 3 382.384 0.243 20 0 GCADHM Cc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194863 952970039 /nfs/dbraw/zinc/97/00/39/952970039.db2.gz UDWCRNOUCJATAX-MDZLAQPJSA-N -1 3 382.384 0.667 20 0 GCADHM Cc1ocnc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194863 952970043 /nfs/dbraw/zinc/97/00/43/952970043.db2.gz UDWCRNOUCJATAX-MDZLAQPJSA-N -1 3 382.384 0.667 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(C3CC3)no2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194834 952970101 /nfs/dbraw/zinc/97/01/01/952970101.db2.gz SMCCSTITVMLQNS-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(C3CC3)no2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194834 952970106 /nfs/dbraw/zinc/97/01/06/952970106.db2.gz SMCCSTITVMLQNS-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM COc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571194904 952970475 /nfs/dbraw/zinc/97/04/75/952970475.db2.gz VYLXKHKPJKCATN-PHIMTYICSA-N -1 3 382.384 0.289 20 0 GCADHM COc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571194904 952970479 /nfs/dbraw/zinc/97/04/79/952970479.db2.gz VYLXKHKPJKCATN-PHIMTYICSA-N -1 3 382.384 0.289 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001571195029 952972483 /nfs/dbraw/zinc/97/24/83/952972483.db2.gz WOUQQRNTQCNBBU-ONGXEEELSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001571195029 952972488 /nfs/dbraw/zinc/97/24/88/952972488.db2.gz WOUQQRNTQCNBBU-ONGXEEELSA-N -1 3 382.384 0.328 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1cnc(C2CC2)o1 ZINC001571195092 952973597 /nfs/dbraw/zinc/97/35/97/952973597.db2.gz YCXDIWMZDMGFNX-NEPJUHHUSA-N -1 3 382.384 0.107 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1cnc(C2CC2)o1 ZINC001571195092 952973600 /nfs/dbraw/zinc/97/36/00/952973600.db2.gz YCXDIWMZDMGFNX-NEPJUHHUSA-N -1 3 382.384 0.107 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)n1 ZINC001571195226 952976810 /nfs/dbraw/zinc/97/68/10/952976810.db2.gz ZWRUBWHPMQULIJ-JTQLQIEISA-N -1 3 382.388 0.177 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O)c1ccccc1 ZINC001571196141 952980398 /nfs/dbraw/zinc/98/03/98/952980398.db2.gz HRBBMLPKGRQTMI-IAGOWNOFSA-N -1 3 382.399 0.981 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O)c1ccccc1 ZINC001571197345 952988829 /nfs/dbraw/zinc/98/88/29/952988829.db2.gz XLNIOGYERAYGIZ-IAGOWNOFSA-N -1 3 382.399 0.981 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O)c1ccccc1 ZINC001571197345 952988832 /nfs/dbraw/zinc/98/88/32/952988832.db2.gz XLNIOGYERAYGIZ-IAGOWNOFSA-N -1 3 382.399 0.981 20 0 GCADHM C[C@@H]1CC[C@@H](O)CN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC001571198565 952991352 /nfs/dbraw/zinc/99/13/52/952991352.db2.gz COUJSDMYNRSOLR-TZMCWYRMSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H]1CC[C@@H](O)CN1CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC001571198565 952991360 /nfs/dbraw/zinc/99/13/60/952991360.db2.gz COUJSDMYNRSOLR-TZMCWYRMSA-N -1 3 382.428 0.836 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1 ZINC001571198528 952991569 /nfs/dbraw/zinc/99/15/69/952991569.db2.gz BCPUQKRVVZQQOP-RUZUBIRVSA-N -1 3 382.428 0.108 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1 ZINC001571198528 952991577 /nfs/dbraw/zinc/99/15/77/952991577.db2.gz BCPUQKRVVZQQOP-RUZUBIRVSA-N -1 3 382.428 0.108 20 0 GCADHM COc1ccc(CN2CC[C@H](N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571198971 952994772 /nfs/dbraw/zinc/99/47/72/952994772.db2.gz JFEFWSQZHXXZPD-AWEZNQCLSA-N -1 3 382.428 0.945 20 0 GCADHM COc1ccc(CN2CC[C@H](N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571198971 952994776 /nfs/dbraw/zinc/99/47/76/952994776.db2.gz JFEFWSQZHXXZPD-AWEZNQCLSA-N -1 3 382.428 0.945 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cccn2C)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571199295 952999759 /nfs/dbraw/zinc/99/97/59/952999759.db2.gz PEWCVIULTYDLSO-GXTWGEPZSA-N -1 3 382.428 0.956 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cccn2C)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571199295 952999763 /nfs/dbraw/zinc/99/97/63/952999763.db2.gz PEWCVIULTYDLSO-GXTWGEPZSA-N -1 3 382.428 0.956 20 0 GCADHM CC[C@H](C)[C@H](NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(N)=O ZINC001571199550 953001848 /nfs/dbraw/zinc/00/18/48/953001848.db2.gz UUYSABKVPUUGPJ-BONVTDFDSA-N -1 3 382.428 0.991 20 0 GCADHM CC[C@H](C)[C@H](NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(N)=O ZINC001571199550 953001854 /nfs/dbraw/zinc/00/18/54/953001854.db2.gz UUYSABKVPUUGPJ-BONVTDFDSA-N -1 3 382.428 0.991 20 0 GCADHM COc1ccc(CN2CCN(C(=O)c3c[nH]c(C)n3)CC2)cc1-c1nn[n-]n1 ZINC001571199571 953002240 /nfs/dbraw/zinc/00/22/40/953002240.db2.gz VLBGKUSZJZUBEG-UHFFFAOYSA-N -1 3 382.428 0.865 20 0 GCADHM CCc1[nH]ccc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571199650 953003229 /nfs/dbraw/zinc/00/32/29/953003229.db2.gz XRVLHDJDWPQUIR-SNVBAGLBSA-N -1 3 382.428 0.976 20 0 GCADHM CCc1[nH]ccc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571199650 953003234 /nfs/dbraw/zinc/00/32/34/953003234.db2.gz XRVLHDJDWPQUIR-SNVBAGLBSA-N -1 3 382.428 0.976 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)c(C)[nH]1 ZINC001571200466 953008361 /nfs/dbraw/zinc/00/83/61/953008361.db2.gz CIUQFSXWCNSQCF-CABCVRRESA-N -1 3 382.428 0.576 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)c(C)[nH]1 ZINC001571200466 953008363 /nfs/dbraw/zinc/00/83/63/953008363.db2.gz CIUQFSXWCNSQCF-CABCVRRESA-N -1 3 382.428 0.576 20 0 GCADHM CS(=O)(=O)CC(=O)N1CC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571200767 953012446 /nfs/dbraw/zinc/01/24/46/953012446.db2.gz LNIDIJAHXJXDSH-SNVBAGLBSA-N -1 3 382.421 0.311 20 0 GCADHM CS(=O)(=O)CC(=O)N1CC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571200767 953012450 /nfs/dbraw/zinc/01/24/50/953012450.db2.gz LNIDIJAHXJXDSH-SNVBAGLBSA-N -1 3 382.421 0.311 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571201959 953021699 /nfs/dbraw/zinc/02/16/99/953021699.db2.gz UFLOADIFAVNUJI-LLVKDONJSA-N -1 3 382.421 0.495 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571201959 953021701 /nfs/dbraw/zinc/02/17/01/953021701.db2.gz UFLOADIFAVNUJI-LLVKDONJSA-N -1 3 382.421 0.495 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C)n1cccc1 ZINC001571202430 953025436 /nfs/dbraw/zinc/02/54/36/953025436.db2.gz WRCYNGIZVXUARP-BZPMIXESSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C)n1cccc1 ZINC001571202430 953025442 /nfs/dbraw/zinc/02/54/42/953025442.db2.gz WRCYNGIZVXUARP-BZPMIXESSA-N -1 3 382.428 0.977 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)n1C ZINC001571202787 953028766 /nfs/dbraw/zinc/02/87/66/953028766.db2.gz YSWIJPBLMQWDHI-BBRMVZONSA-N -1 3 382.428 0.278 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)n1C ZINC001571202787 953028772 /nfs/dbraw/zinc/02/87/72/953028772.db2.gz YSWIJPBLMQWDHI-BBRMVZONSA-N -1 3 382.428 0.278 20 0 GCADHM CCc1nc(N[C@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571204569 953029894 /nfs/dbraw/zinc/02/98/94/953029894.db2.gz BGCPAIGABGPOTD-NEPJUHHUSA-N -1 3 382.432 0.517 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2cnnn2C)CC1 ZINC001571205146 953036607 /nfs/dbraw/zinc/03/66/07/953036607.db2.gz GKZWTCMGSMLZEW-NSHDSACASA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2cnnn2C)CC1 ZINC001571205146 953036611 /nfs/dbraw/zinc/03/66/11/953036611.db2.gz GKZWTCMGSMLZEW-NSHDSACASA-N -1 3 382.432 0.743 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205454 953038430 /nfs/dbraw/zinc/03/84/30/953038430.db2.gz JFWVUMTXQVBSHF-QWRGUYRKSA-N -1 3 382.432 0.905 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)c(C)n2)nn1 ZINC001571205700 953041104 /nfs/dbraw/zinc/04/11/04/953041104.db2.gz NCYAIAKRXPCSFP-GFCCVEGCSA-N -1 3 382.432 0.898 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)c(C)n2)nn1 ZINC001571205700 953041106 /nfs/dbraw/zinc/04/11/06/953041106.db2.gz NCYAIAKRXPCSFP-GFCCVEGCSA-N -1 3 382.432 0.898 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H](C)C2)n1 ZINC001571205826 953042102 /nfs/dbraw/zinc/04/21/02/953042102.db2.gz BOQLNJVVISDHMQ-NWDGAFQWSA-N -1 3 382.432 0.722 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H](C)C2)n1 ZINC001571205826 953042109 /nfs/dbraw/zinc/04/21/09/953042109.db2.gz BOQLNJVVISDHMQ-NWDGAFQWSA-N -1 3 382.432 0.722 20 0 GCADHM CN(c1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)Cc2cncn2C)C1 ZINC001571205770 953042315 /nfs/dbraw/zinc/04/23/15/953042315.db2.gz AOVRYGDOFSNPLI-LBPRGKRZSA-N -1 3 382.432 0.060 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@H](C)C2)nnn1C ZINC001571205763 953042415 /nfs/dbraw/zinc/04/24/15/953042415.db2.gz AMPWPDCXPXBMEH-MFKMUULPSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@H](C)C2)nnn1C ZINC001571205763 953042419 /nfs/dbraw/zinc/04/24/19/953042419.db2.gz AMPWPDCXPXBMEH-MFKMUULPSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H](C)C2)n1 ZINC001571205827 953042516 /nfs/dbraw/zinc/04/25/16/953042516.db2.gz BOQLNJVVISDHMQ-RYUDHWBXSA-N -1 3 382.432 0.722 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H](C)C2)n1 ZINC001571205827 953042518 /nfs/dbraw/zinc/04/25/18/953042518.db2.gz BOQLNJVVISDHMQ-RYUDHWBXSA-N -1 3 382.432 0.722 20 0 GCADHM CCc1nc[nH]c1C(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571205884 953043119 /nfs/dbraw/zinc/04/31/19/953043119.db2.gz NIZCLMKCCTVZNV-WDEREUQCSA-N -1 3 382.432 0.966 20 0 GCADHM CCn1nncc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571205842 953043755 /nfs/dbraw/zinc/04/37/55/953043755.db2.gz BWKDASMWGABXIS-GFCCVEGCSA-N -1 3 382.432 0.580 20 0 GCADHM CCn1nncc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571205842 953043760 /nfs/dbraw/zinc/04/37/60/953043760.db2.gz BWKDASMWGABXIS-GFCCVEGCSA-N -1 3 382.432 0.580 20 0 GCADHM Cc1nc[nH]c1C(=O)N1CC[C@](C)(CNc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571205855 953043832 /nfs/dbraw/zinc/04/38/32/953043832.db2.gz CDFVCCYLHFDNJR-QGZVFWFLSA-N -1 3 382.432 0.961 20 0 GCADHM CCc1nc[nH]c1C(=O)N1C[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571205881 953043922 /nfs/dbraw/zinc/04/39/22/953043922.db2.gz NIZCLMKCCTVZNV-GHMZBOCLSA-N -1 3 382.432 0.966 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205959 953045013 /nfs/dbraw/zinc/04/50/13/953045013.db2.gz OZYRRJBJRKWEIM-LLVKDONJSA-N -1 3 382.432 0.907 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206108 953046912 /nfs/dbraw/zinc/04/69/12/953046912.db2.gz DGJJJWNLUGNVOZ-ZYHUDNBSSA-N -1 3 382.432 0.404 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206108 953046917 /nfs/dbraw/zinc/04/69/17/953046917.db2.gz DGJJJWNLUGNVOZ-ZYHUDNBSSA-N -1 3 382.432 0.404 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)nnn1C(C)C ZINC001571206288 953048805 /nfs/dbraw/zinc/04/88/05/953048805.db2.gz FHYMLJKHNYZPAH-GFCCVEGCSA-N -1 3 382.432 0.751 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)nnn1C(C)C ZINC001571206288 953048810 /nfs/dbraw/zinc/04/88/10/953048810.db2.gz FHYMLJKHNYZPAH-GFCCVEGCSA-N -1 3 382.432 0.751 20 0 GCADHM CCn1cc(C(=O)N2CCCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)nn1 ZINC001571206277 953049313 /nfs/dbraw/zinc/04/93/13/953049313.db2.gz SSKGEGLXWQVIES-GFCCVEGCSA-N -1 3 382.432 0.980 20 0 GCADHM CCn1cc(C(=O)N2CCCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)nn1 ZINC001571206277 953049314 /nfs/dbraw/zinc/04/93/14/953049314.db2.gz SSKGEGLXWQVIES-GFCCVEGCSA-N -1 3 382.432 0.980 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)Cc3cncn3C)C2)n1 ZINC001571206384 953050118 /nfs/dbraw/zinc/05/01/18/953050118.db2.gz FUTNOKSELRXXLI-LBPRGKRZSA-N -1 3 382.432 0.026 20 0 GCADHM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001571206352 953050381 /nfs/dbraw/zinc/05/03/81/953050381.db2.gz UDKACCQXTRWBPP-SMDDNHRTSA-N -1 3 382.432 0.804 20 0 GCADHM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001571206352 953050382 /nfs/dbraw/zinc/05/03/82/953050382.db2.gz UDKACCQXTRWBPP-SMDDNHRTSA-N -1 3 382.432 0.804 20 0 GCADHM CCc1nc(N[C@H]2CCN(C(=O)CCn3ccnc3)C2)cc(-c2nnn[n-]2)n1 ZINC001571206322 953050459 /nfs/dbraw/zinc/05/04/59/953050459.db2.gz TVIHKUNTULSUPA-LBPRGKRZSA-N -1 3 382.432 0.519 20 0 GCADHM CCc1nc(N[C@H]2CCN(C(=O)CCn3ccnc3)C2)cc(-c2nn[n-]n2)n1 ZINC001571206322 953050461 /nfs/dbraw/zinc/05/04/61/953050461.db2.gz TVIHKUNTULSUPA-LBPRGKRZSA-N -1 3 382.432 0.519 20 0 GCADHM Cc1[nH]nc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)c1C ZINC001571206705 953053558 /nfs/dbraw/zinc/05/35/58/953053558.db2.gz JPYVQTUQSAABGH-CABZTGNLSA-N -1 3 382.432 0.784 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001571206658 953053863 /nfs/dbraw/zinc/05/38/63/953053863.db2.gz VWDSSDQIZZWOPQ-VXGBXAGGSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001571206658 953053868 /nfs/dbraw/zinc/05/38/68/953053868.db2.gz VWDSSDQIZZWOPQ-VXGBXAGGSA-N -1 3 382.432 0.743 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H]([C@@H](C)Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571206694 953054053 /nfs/dbraw/zinc/05/40/53/953054053.db2.gz JKGRZBQAMLBKCS-NEPJUHHUSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H]([C@@H](C)Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571206694 953054057 /nfs/dbraw/zinc/05/40/57/953054057.db2.gz JKGRZBQAMLBKCS-NEPJUHHUSA-N -1 3 382.432 0.836 20 0 GCADHM CCCn1ncc(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)c1C ZINC001571206743 953054786 /nfs/dbraw/zinc/05/47/86/953054786.db2.gz XAIQHVWFOLCIHI-GFCCVEGCSA-N -1 3 382.432 0.898 20 0 GCADHM CCCn1ncc(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)c1C ZINC001571206743 953054789 /nfs/dbraw/zinc/05/47/89/953054789.db2.gz XAIQHVWFOLCIHI-GFCCVEGCSA-N -1 3 382.432 0.898 20 0 GCADHM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571206716 953054818 /nfs/dbraw/zinc/05/48/18/953054818.db2.gz JUDCUEMEPPSXKK-ZDUSSCGKSA-N -1 3 382.432 0.440 20 0 GCADHM CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571206716 953054821 /nfs/dbraw/zinc/05/48/21/953054821.db2.gz JUDCUEMEPPSXKK-ZDUSSCGKSA-N -1 3 382.432 0.440 20 0 GCADHM CCc1c[nH]c(CC(=O)N2CC[C@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571206724 953055134 /nfs/dbraw/zinc/05/51/34/953055134.db2.gz WUGAXFGUCKYNSH-LBPRGKRZSA-N -1 3 382.432 0.222 20 0 GCADHM CCc1c[nH]c(CC(=O)N2CC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571206724 953055137 /nfs/dbraw/zinc/05/51/37/953055137.db2.gz WUGAXFGUCKYNSH-LBPRGKRZSA-N -1 3 382.432 0.222 20 0 GCADHM CCc1nc(N[C@@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571206773 953055291 /nfs/dbraw/zinc/05/52/91/953055291.db2.gz XERFNGBYKSRTAP-LLVKDONJSA-N -1 3 382.432 0.886 20 0 GCADHM CCc1nc(N[C@@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571206773 953055295 /nfs/dbraw/zinc/05/52/95/953055295.db2.gz XERFNGBYKSRTAP-LLVKDONJSA-N -1 3 382.432 0.886 20 0 GCADHM CCn1cc(CN2CCC3(CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)C2)nn1 ZINC001571206815 953056547 /nfs/dbraw/zinc/05/65/47/953056547.db2.gz KWGJRVFBGGREIH-UHFFFAOYSA-N -1 3 382.432 0.154 20 0 GCADHM CCn1cc(CN2CCC3(CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)nn1 ZINC001571206815 953056548 /nfs/dbraw/zinc/05/65/48/953056548.db2.gz KWGJRVFBGGREIH-UHFFFAOYSA-N -1 3 382.432 0.154 20 0 GCADHM CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)Cn3ccnc3)CC2)n1 ZINC001571206899 953057453 /nfs/dbraw/zinc/05/74/53/953057453.db2.gz YVNHOSDFFAJRLS-UHFFFAOYSA-N -1 3 382.432 0.155 20 0 GCADHM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCCN2C(=O)c2cc[nH]n2)n1 ZINC001571206892 953057700 /nfs/dbraw/zinc/05/77/00/953057700.db2.gz YTSDNBHTUGGRSG-LLVKDONJSA-N -1 3 382.432 0.683 20 0 GCADHM Cn1cc(CNC(=O)N2CC[C@](C)(O)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001571206977 953058060 /nfs/dbraw/zinc/05/80/60/953058060.db2.gz VMVFOHGDLGVXIT-SFHVURJKSA-N -1 3 382.428 0.934 20 0 GCADHM Cn1cc(CNC(=O)N2CC[C@](C)(O)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571206977 953058063 /nfs/dbraw/zinc/05/80/63/953058063.db2.gz VMVFOHGDLGVXIT-SFHVURJKSA-N -1 3 382.428 0.934 20 0 GCADHM Cc1[nH]nc(C(=O)N[C@@H]2C[C@@H](CNc3nc(C)cc(-c4nnn[n-]4)n3)C2)c1C ZINC001571207193 953060678 /nfs/dbraw/zinc/06/06/78/953060678.db2.gz OQPMCHUTIVXKLR-HAQNSBGRSA-N -1 3 382.432 0.926 20 0 GCADHM Cc1cncn1CC(=O)NC1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571207284 953061739 /nfs/dbraw/zinc/06/17/39/953061739.db2.gz PMHYTJQWVLLTTN-UHFFFAOYSA-N -1 3 382.432 0.255 20 0 GCADHM Cc1cncn1CC(=O)NC1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571207284 953061743 /nfs/dbraw/zinc/06/17/43/953061743.db2.gz PMHYTJQWVLLTTN-UHFFFAOYSA-N -1 3 382.432 0.255 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001571207290 953061748 /nfs/dbraw/zinc/06/17/48/953061748.db2.gz PPHLLPQFLBAJGU-TZMCWYRMSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001571207290 953061754 /nfs/dbraw/zinc/06/17/54/953061754.db2.gz PPHLLPQFLBAJGU-TZMCWYRMSA-N -1 3 382.432 0.450 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@H](C)C2)n1 ZINC001571207443 953063249 /nfs/dbraw/zinc/06/32/49/953063249.db2.gz RPPWVWPRFBDNGA-YPMHNXCESA-N -1 3 382.432 0.836 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@H](C)C2)n1 ZINC001571207443 953063251 /nfs/dbraw/zinc/06/32/51/953063251.db2.gz RPPWVWPRFBDNGA-YPMHNXCESA-N -1 3 382.432 0.836 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN(C(=O)Cn3ccnc3)C2)n1 ZINC001571207452 953063308 /nfs/dbraw/zinc/06/33/08/953063308.db2.gz RURAMUVBHUCDLU-ZDUSSCGKSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1cncn1CC(=O)N(C)C1CC(Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207530 953064161 /nfs/dbraw/zinc/06/41/61/953064161.db2.gz VRXLQJMGWCYIRY-UHFFFAOYSA-N -1 3 382.432 0.572 20 0 GCADHM Cc1cncn1CC(=O)N(C)C1CC(Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207530 953064164 /nfs/dbraw/zinc/06/41/64/953064164.db2.gz VRXLQJMGWCYIRY-UHFFFAOYSA-N -1 3 382.432 0.572 20 0 GCADHM CN(C)c1nc(N)nc(COc2nc3c(cc2-c2nnn[n-]2)CCCCC3)n1 ZINC001571207649 953065614 /nfs/dbraw/zinc/06/56/14/953065614.db2.gz ZALPJCKQIQZZTA-UHFFFAOYSA-N -1 3 382.432 0.943 20 0 GCADHM CN(C)c1nc(N)nc(COc2nc3c(cc2-c2nn[n-]n2)CCCCC3)n1 ZINC001571207649 953065617 /nfs/dbraw/zinc/06/56/17/953065617.db2.gz ZALPJCKQIQZZTA-UHFFFAOYSA-N -1 3 382.432 0.943 20 0 GCADHM CCn1nc(C)c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)n1 ZINC001571207598 953065621 /nfs/dbraw/zinc/06/56/21/953065621.db2.gz XOOLOCRDIUCHGR-GFCCVEGCSA-N -1 3 382.432 0.817 20 0 GCADHM CCn1nc(C)c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)n1 ZINC001571207598 953065622 /nfs/dbraw/zinc/06/56/22/953065622.db2.gz XOOLOCRDIUCHGR-GFCCVEGCSA-N -1 3 382.432 0.817 20 0 GCADHM COC(C)(C)[C@@H](C)NC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571209920 953068754 /nfs/dbraw/zinc/06/87/54/953068754.db2.gz IRGXRFSDHJPKQT-SNVBAGLBSA-N -1 3 382.446 0.075 20 0 GCADHM COC(C)(C)[C@@H](C)NC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571209920 953068757 /nfs/dbraw/zinc/06/87/57/953068757.db2.gz IRGXRFSDHJPKQT-SNVBAGLBSA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@@H](CS(=O)(=O)NCc1cncc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001571210780 953074181 /nfs/dbraw/zinc/07/41/81/953074181.db2.gz XDUUZNNNBBUNCY-AWEZNQCLSA-N -1 3 382.446 0.123 20 0 GCADHM CO[C@@H](CS(=O)(=O)NCc1cncc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001571210780 953074187 /nfs/dbraw/zinc/07/41/87/953074187.db2.gz XDUUZNNNBBUNCY-AWEZNQCLSA-N -1 3 382.446 0.123 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571211465 953076408 /nfs/dbraw/zinc/07/64/08/953076408.db2.gz BEVVDFBHDPYIQE-TVQRCGJNSA-N -1 3 382.432 0.959 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)[nH]1 ZINC001571211441 953076615 /nfs/dbraw/zinc/07/66/15/953076615.db2.gz ASNHDJTWLHYQBD-CYBMUJFWSA-N -1 3 382.432 0.723 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571210909 953076801 /nfs/dbraw/zinc/07/68/01/953076801.db2.gz ZXGGXMPWWMCRHU-JSGCOSHPSA-N -1 3 382.432 0.640 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571210909 953076806 /nfs/dbraw/zinc/07/68/06/953076806.db2.gz ZXGGXMPWWMCRHU-JSGCOSHPSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001571211716 953080745 /nfs/dbraw/zinc/08/07/45/953080745.db2.gz DDSSGJYNKUTIFM-BPUTZDHNSA-N -1 3 382.472 0.641 20 0 GCADHM C[C@H]1C[C@@H]1C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001571211716 953080748 /nfs/dbraw/zinc/08/07/48/953080748.db2.gz DDSSGJYNKUTIFM-BPUTZDHNSA-N -1 3 382.472 0.641 20 0 GCADHM Cn1ncc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1N ZINC001571211855 953081728 /nfs/dbraw/zinc/08/17/28/953081728.db2.gz HLJYXBFCYBNPFE-NSHDSACASA-N -1 3 382.432 0.224 20 0 GCADHM Cn1ncc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1N ZINC001571211855 953081733 /nfs/dbraw/zinc/08/17/33/953081733.db2.gz HLJYXBFCYBNPFE-NSHDSACASA-N -1 3 382.432 0.224 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)Cn3cncn3)[C@H]2C)n1 ZINC001571211932 953082980 /nfs/dbraw/zinc/08/29/80/953082980.db2.gz ISUUPQCASPVAQE-TZMCWYRMSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)Cn3cncn3)[C@H]2C)n1 ZINC001571211932 953082983 /nfs/dbraw/zinc/08/29/83/953082983.db2.gz ISUUPQCASPVAQE-TZMCWYRMSA-N -1 3 382.432 0.335 20 0 GCADHM Cn1ncc(C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)c1N ZINC001571212114 953083864 /nfs/dbraw/zinc/08/38/64/953083864.db2.gz JALSTFIHOVQGBI-UHFFFAOYSA-N -1 3 382.432 0.366 20 0 GCADHM Cn1ncc(C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)c1N ZINC001571212114 953083869 /nfs/dbraw/zinc/08/38/69/953083869.db2.gz JALSTFIHOVQGBI-UHFFFAOYSA-N -1 3 382.432 0.366 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571212192 953085382 /nfs/dbraw/zinc/08/53/82/953085382.db2.gz KUSKLPXDFWPAQS-DGCLKSJQSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571212192 953085384 /nfs/dbraw/zinc/08/53/84/953085384.db2.gz KUSKLPXDFWPAQS-DGCLKSJQSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@@H](CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571212346 953087468 /nfs/dbraw/zinc/08/74/68/953087468.db2.gz MCCBVKOFNMRPPR-GFCCVEGCSA-N -1 3 382.432 0.961 20 0 GCADHM Cc1nc(N2C[C@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001571212379 953088186 /nfs/dbraw/zinc/08/81/86/953088186.db2.gz NBVIKZKJVKFXPD-ZDUSSCGKSA-N -1 3 382.432 0.343 20 0 GCADHM Cc1nc(N2C[C@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001571212379 953088189 /nfs/dbraw/zinc/08/81/89/953088189.db2.gz NBVIKZKJVKFXPD-ZDUSSCGKSA-N -1 3 382.432 0.343 20 0 GCADHM Cn1cnnc1CN1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@H]21 ZINC001571212710 953090202 /nfs/dbraw/zinc/09/02/02/953090202.db2.gz OJYDDUBONHEDGF-BXUZGUMPSA-N -1 3 382.432 0.060 20 0 GCADHM Cn1cnnc1CN1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@H]21 ZINC001571212710 953090205 /nfs/dbraw/zinc/09/02/05/953090205.db2.gz OJYDDUBONHEDGF-BXUZGUMPSA-N -1 3 382.432 0.060 20 0 GCADHM Cc1nc(N[C@@H]2CCCN(C(=O)CCn3cncn3)C2)ccc1-c1nnn[n-]1 ZINC001571212707 953090553 /nfs/dbraw/zinc/09/05/53/953090553.db2.gz OJLOEZCMQBZYLH-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1nc(N[C@@H]2CCCN(C(=O)CCn3cncn3)C2)ccc1-c1nn[n-]n1 ZINC001571212707 953090558 /nfs/dbraw/zinc/09/05/58/953090558.db2.gz OJLOEZCMQBZYLH-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1ncc(C(=O)N[C@@H](C)C2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)[nH]1 ZINC001571213191 953093178 /nfs/dbraw/zinc/09/31/78/953093178.db2.gz RTFSJNIVKWVFID-JTQLQIEISA-N -1 3 382.432 0.723 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)c1N ZINC001571213205 953093183 /nfs/dbraw/zinc/09/31/83/953093183.db2.gz RZFFNKBAKFVREI-MFKMUULPSA-N -1 3 382.432 0.588 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)c1N ZINC001571213205 953093186 /nfs/dbraw/zinc/09/31/86/953093186.db2.gz RZFFNKBAKFVREI-MFKMUULPSA-N -1 3 382.432 0.588 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001571213431 953095073 /nfs/dbraw/zinc/09/50/73/953095073.db2.gz SSYXGGRKEAIYNB-LBPRGKRZSA-N -1 3 382.432 0.677 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001571213430 953095736 /nfs/dbraw/zinc/09/57/36/953095736.db2.gz SSYXGGRKEAIYNB-GFCCVEGCSA-N -1 3 382.432 0.677 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@@H](C)[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571213836 953097715 /nfs/dbraw/zinc/09/77/15/953097715.db2.gz XLXOTTPAXYWSGO-ZYHUDNBSSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(C)(NC(=O)c3cnn(C)n3)CC2)n1 ZINC001571214150 953100642 /nfs/dbraw/zinc/10/06/42/953100642.db2.gz YPXXNHNQMGNFEY-UHFFFAOYSA-N -1 3 382.432 0.488 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(C)(NC(=O)c3cnn(C)n3)CC2)n1 ZINC001571214150 953100643 /nfs/dbraw/zinc/10/06/43/953100643.db2.gz YPXXNHNQMGNFEY-UHFFFAOYSA-N -1 3 382.432 0.488 20 0 GCADHM O=C(Cc1cccc(F)c1)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571216947 953105569 /nfs/dbraw/zinc/10/55/69/953105569.db2.gz DIEGAXMKJGBILC-ZDUSSCGKSA-N -1 3 383.387 0.907 20 0 GCADHM O=C(Cc1cccc(F)c1)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571216947 953105572 /nfs/dbraw/zinc/10/55/72/953105572.db2.gz DIEGAXMKJGBILC-ZDUSSCGKSA-N -1 3 383.387 0.907 20 0 GCADHM O=C(Cc1ccccc1F)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571217484 953108380 /nfs/dbraw/zinc/10/83/80/953108380.db2.gz MEQCYVRRQJTYPU-CYBMUJFWSA-N -1 3 383.387 0.907 20 0 GCADHM O=C(Cc1ccccc1F)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571217484 953108382 /nfs/dbraw/zinc/10/83/82/953108382.db2.gz MEQCYVRRQJTYPU-CYBMUJFWSA-N -1 3 383.387 0.907 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)C1C=CC=CC=C1 ZINC001571217398 953108421 /nfs/dbraw/zinc/10/84/21/953108421.db2.gz KPUNNYUGWWPMAA-HUUCEWRRSA-N -1 3 383.387 0.365 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)C1C=CC=CC=C1 ZINC001571217398 953108426 /nfs/dbraw/zinc/10/84/26/953108426.db2.gz KPUNNYUGWWPMAA-HUUCEWRRSA-N -1 3 383.387 0.365 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571217637 953110212 /nfs/dbraw/zinc/11/02/12/953110212.db2.gz GQDLTJBEMKODDG-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571217637 953110213 /nfs/dbraw/zinc/11/02/13/953110213.db2.gz GQDLTJBEMKODDG-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(C)(c1nnn(Cc2cc(Cl)cc(-c3nnn[n-]3)c2)n1)S(C)(=O)=O ZINC001571217963 953111969 /nfs/dbraw/zinc/11/19/69/953111969.db2.gz JJZRVSMIENJQQM-UHFFFAOYSA-N -1 3 382.837 0.835 20 0 GCADHM CC(C)(c1nnn(Cc2cc(Cl)cc(-c3nn[n-]n3)c2)n1)S(C)(=O)=O ZINC001571217963 953111971 /nfs/dbraw/zinc/11/19/71/953111971.db2.gz JJZRVSMIENJQQM-UHFFFAOYSA-N -1 3 382.837 0.835 20 0 GCADHM CCn1nnc(C)c1CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571218041 953112606 /nfs/dbraw/zinc/11/26/06/953112606.db2.gz KNLLMUCJYQGBJI-UHFFFAOYSA-N -1 3 382.837 0.918 20 0 GCADHM CCn1nnc(C)c1CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571218041 953112608 /nfs/dbraw/zinc/11/26/08/953112608.db2.gz KNLLMUCJYQGBJI-UHFFFAOYSA-N -1 3 382.837 0.918 20 0 GCADHM Cc1cnc(C(=O)NC[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)cn1 ZINC001571218566 953117234 /nfs/dbraw/zinc/11/72/34/953117234.db2.gz BOAVMKNWDHETRK-NSHDSACASA-N -1 3 383.391 0.756 20 0 GCADHM Cc1cnc(C(=O)NC[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)cn1 ZINC001571218566 953117237 /nfs/dbraw/zinc/11/72/37/953117237.db2.gz BOAVMKNWDHETRK-NSHDSACASA-N -1 3 383.391 0.756 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)c1F ZINC001571218671 953118149 /nfs/dbraw/zinc/11/81/49/953118149.db2.gz YEJAHRSWUOFVQQ-ZIAGYGMSSA-N -1 3 383.387 0.689 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c1F ZINC001571218671 953118153 /nfs/dbraw/zinc/11/81/53/953118153.db2.gz YEJAHRSWUOFVQQ-ZIAGYGMSSA-N -1 3 383.387 0.689 20 0 GCADHM NC(=O)N[C@H](CO)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001571218767 953119237 /nfs/dbraw/zinc/11/92/37/953119237.db2.gz QOKKFJKFZBFKES-CQSZACIVSA-N -1 3 383.368 0.627 20 0 GCADHM NC(=O)N[C@H](CO)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001571218767 953119238 /nfs/dbraw/zinc/11/92/38/953119238.db2.gz QOKKFJKFZBFKES-CQSZACIVSA-N -1 3 383.368 0.627 20 0 GCADHM CCc1oncc1C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571219153 953123573 /nfs/dbraw/zinc/12/35/73/953123573.db2.gz KLLBNJFQSWEYJD-CABCVRRESA-N -1 3 383.412 0.392 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncc(-c3nnn[n-]3)cc2F)cn1 ZINC001571219722 953126672 /nfs/dbraw/zinc/12/66/72/953126672.db2.gz QXOPCOLRIBBAHF-BNOWGMLFSA-N -1 3 383.391 0.674 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncc(-c3nn[n-]n3)cc2F)cn1 ZINC001571219722 953126673 /nfs/dbraw/zinc/12/66/73/953126673.db2.gz QXOPCOLRIBBAHF-BNOWGMLFSA-N -1 3 383.391 0.674 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncc(F)cn1)C2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571219738 953126823 /nfs/dbraw/zinc/12/68/23/953126823.db2.gz RMVXHOPHXHYRKD-BIMULSAOSA-N -1 3 383.391 0.911 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncc(F)cn1)C2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571219738 953126825 /nfs/dbraw/zinc/12/68/25/953126825.db2.gz RMVXHOPHXHYRKD-BIMULSAOSA-N -1 3 383.391 0.911 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@H]2[C@H](CCN2c2cnc(F)cn2)C1 ZINC001571219910 953127532 /nfs/dbraw/zinc/12/75/32/953127532.db2.gz SRUUOYXZOHQQDF-MFKMUULPSA-N -1 3 383.391 0.865 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@H]2[C@H](CCN2c2cnc(F)cn2)C1 ZINC001571219910 953127534 /nfs/dbraw/zinc/12/75/34/953127534.db2.gz SRUUOYXZOHQQDF-MFKMUULPSA-N -1 3 383.391 0.865 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)CCc2ccco2)C1 ZINC001571219967 953128475 /nfs/dbraw/zinc/12/84/75/953128475.db2.gz VQFSXRFZJOCEDW-NSHDSACASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)CCc2ccco2)C1 ZINC001571219967 953128477 /nfs/dbraw/zinc/12/84/77/953128477.db2.gz VQFSXRFZJOCEDW-NSHDSACASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571220213 953129468 /nfs/dbraw/zinc/12/94/68/953129468.db2.gz ZDFCNQUCLBXXPP-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571220213 953129472 /nfs/dbraw/zinc/12/94/72/953129472.db2.gz ZDFCNQUCLBXXPP-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001571222099 953130740 /nfs/dbraw/zinc/13/07/40/953130740.db2.gz CGKBRLJONWXQEV-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001571222099 953130743 /nfs/dbraw/zinc/13/07/43/953130743.db2.gz CGKBRLJONWXQEV-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001571222100 953130784 /nfs/dbraw/zinc/13/07/84/953130784.db2.gz CGKBRLJONWXQEV-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001571222100 953130786 /nfs/dbraw/zinc/13/07/86/953130786.db2.gz CGKBRLJONWXQEV-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cncn1C ZINC001571222185 953131554 /nfs/dbraw/zinc/13/15/54/953131554.db2.gz DRGBQSSBCSVZDS-MNOVXSKESA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cncn1C ZINC001571222185 953131557 /nfs/dbraw/zinc/13/15/57/953131557.db2.gz DRGBQSSBCSVZDS-MNOVXSKESA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001571222178 953131675 /nfs/dbraw/zinc/13/16/75/953131675.db2.gz DPKKFUPICIFPPG-RISCZKNCSA-N -1 3 383.416 0.337 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001571222178 953131676 /nfs/dbraw/zinc/13/16/76/953131676.db2.gz DPKKFUPICIFPPG-RISCZKNCSA-N -1 3 383.416 0.337 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222252 953132442 /nfs/dbraw/zinc/13/24/42/953132442.db2.gz BKLVWWOKCBUJPI-GXSJLCMTSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222252 953132444 /nfs/dbraw/zinc/13/24/44/953132444.db2.gz BKLVWWOKCBUJPI-GXSJLCMTSA-N -1 3 383.416 0.513 20 0 GCADHM CC(C)c1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001571222215 953132457 /nfs/dbraw/zinc/13/24/57/953132457.db2.gz FVJHNUSMYORIFD-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM CC(C)c1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001571222215 953132459 /nfs/dbraw/zinc/13/24/59/953132459.db2.gz FVJHNUSMYORIFD-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM COc1cc(C)nc(N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1 ZINC001571222338 953133450 /nfs/dbraw/zinc/13/34/50/953133450.db2.gz DSDPBHAXHIIETI-TVQRCGJNSA-N -1 3 383.416 0.874 20 0 GCADHM COc1cc(C)nc(N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1 ZINC001571222338 953133456 /nfs/dbraw/zinc/13/34/56/953133456.db2.gz DSDPBHAXHIIETI-TVQRCGJNSA-N -1 3 383.416 0.874 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@](CO)(Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571222457 953134929 /nfs/dbraw/zinc/13/49/29/953134929.db2.gz GEJUDPJNYMRZRY-KRWDZBQOSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@](CO)(Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571222457 953134931 /nfs/dbraw/zinc/13/49/31/953134931.db2.gz GEJUDPJNYMRZRY-KRWDZBQOSA-N -1 3 383.416 0.372 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CCOCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571222545 953135618 /nfs/dbraw/zinc/13/56/18/953135618.db2.gz IRCAWVZTNFRZQJ-IPYPFGDCSA-N -1 3 383.412 0.403 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1=CCOCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571222545 953135619 /nfs/dbraw/zinc/13/56/19/953135619.db2.gz IRCAWVZTNFRZQJ-IPYPFGDCSA-N -1 3 383.412 0.403 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COCCC1 ZINC001571222564 953136078 /nfs/dbraw/zinc/13/60/78/953136078.db2.gz JJXKYQFKZKAWIF-OKILXGFUSA-N -1 3 383.412 0.705 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)C1=COCCC1 ZINC001571222564 953136083 /nfs/dbraw/zinc/13/60/83/953136083.db2.gz JJXKYQFKZKAWIF-OKILXGFUSA-N -1 3 383.412 0.705 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)c1cncn1C ZINC001571222666 953137456 /nfs/dbraw/zinc/13/74/56/953137456.db2.gz IKLLBADWHBXEAX-LBPRGKRZSA-N -1 3 383.416 0.305 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)c1cncn1C ZINC001571222666 953137459 /nfs/dbraw/zinc/13/74/59/953137459.db2.gz IKLLBADWHBXEAX-LBPRGKRZSA-N -1 3 383.416 0.305 20 0 GCADHM CCn1nncc1C(=O)NC1CN(Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001571222700 953137655 /nfs/dbraw/zinc/13/76/55/953137655.db2.gz JOCCOXFDJBVSLJ-UHFFFAOYSA-N -1 3 383.416 0.101 20 0 GCADHM CCn1nncc1C(=O)NC1CN(Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001571222700 953137657 /nfs/dbraw/zinc/13/76/57/953137657.db2.gz JOCCOXFDJBVSLJ-UHFFFAOYSA-N -1 3 383.416 0.101 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571222672 953137813 /nfs/dbraw/zinc/13/78/13/953137813.db2.gz IMTQMKAIFLUQQB-SKDRFNHKSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571222672 953137815 /nfs/dbraw/zinc/13/78/15/953137815.db2.gz IMTQMKAIFLUQQB-SKDRFNHKSA-N -1 3 383.416 0.513 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001571222815 953138302 /nfs/dbraw/zinc/13/83/02/953138302.db2.gz LNLUYGMGYBMSAH-FZMZJTMJSA-N -1 3 383.416 0.337 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001571222815 953138303 /nfs/dbraw/zinc/13/83/03/953138303.db2.gz LNLUYGMGYBMSAH-FZMZJTMJSA-N -1 3 383.416 0.337 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2c[nH]c(=O)n2C)CC1 ZINC001571222807 953138486 /nfs/dbraw/zinc/13/84/86/953138486.db2.gz MNVOHXQDICIGQH-UHFFFAOYSA-N -1 3 383.416 0.442 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2c[nH]c(=O)n2C)CC1 ZINC001571222807 953138494 /nfs/dbraw/zinc/13/84/94/953138494.db2.gz MNVOHXQDICIGQH-UHFFFAOYSA-N -1 3 383.416 0.442 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001571222819 953138583 /nfs/dbraw/zinc/13/85/83/953138583.db2.gz LNLUYGMGYBMSAH-SMDDNHRTSA-N -1 3 383.416 0.337 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001571222819 953138584 /nfs/dbraw/zinc/13/85/84/953138584.db2.gz LNLUYGMGYBMSAH-SMDDNHRTSA-N -1 3 383.416 0.337 20 0 GCADHM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1C ZINC001571222969 953140349 /nfs/dbraw/zinc/14/03/49/953140349.db2.gz OKWQKYSIRRSQDT-LLVKDONJSA-N -1 3 383.416 0.521 20 0 GCADHM Cc1[nH]nc(C(=O)N(C)C[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1C ZINC001571222969 953140351 /nfs/dbraw/zinc/14/03/51/953140351.db2.gz OKWQKYSIRRSQDT-LLVKDONJSA-N -1 3 383.416 0.521 20 0 GCADHM COCc1nc(C)cc(N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571222983 953140746 /nfs/dbraw/zinc/14/07/46/953140746.db2.gz OLTPHVJPLOXKLB-NSHDSACASA-N -1 3 383.416 0.766 20 0 GCADHM COCc1nc(C)cc(N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571222983 953140748 /nfs/dbraw/zinc/14/07/48/953140748.db2.gz OLTPHVJPLOXKLB-NSHDSACASA-N -1 3 383.416 0.766 20 0 GCADHM COCc1nn(C)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571222958 953140850 /nfs/dbraw/zinc/14/08/50/953140850.db2.gz OFOUWIPHUMYRJJ-NSHDSACASA-N -1 3 383.416 0.150 20 0 GCADHM COCc1nn(C)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571222958 953140853 /nfs/dbraw/zinc/14/08/53/953140853.db2.gz OFOUWIPHUMYRJJ-NSHDSACASA-N -1 3 383.416 0.150 20 0 GCADHM COc1cncc(CN2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571223238 953142039 /nfs/dbraw/zinc/14/20/39/953142039.db2.gz QYIXPKCQSSTECA-CYBMUJFWSA-N -1 3 383.416 0.340 20 0 GCADHM COc1cncc(CN2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571223238 953142041 /nfs/dbraw/zinc/14/20/41/953142041.db2.gz QYIXPKCQSSTECA-CYBMUJFWSA-N -1 3 383.416 0.340 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)CN1c1ncccc1-c1nnn[n-]1 ZINC001571223185 953142179 /nfs/dbraw/zinc/14/21/79/953142179.db2.gz PHBLWCMAKDUDBJ-QWRGUYRKSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)CN1c1ncccc1-c1nn[n-]n1 ZINC001571223185 953142182 /nfs/dbraw/zinc/14/21/82/953142182.db2.gz PHBLWCMAKDUDBJ-QWRGUYRKSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)CN1c1ncccc1-c1nnn[n-]1 ZINC001571223184 953142677 /nfs/dbraw/zinc/14/26/77/953142677.db2.gz PHBLWCMAKDUDBJ-MNOVXSKESA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)CN1c1ncccc1-c1nn[n-]n1 ZINC001571223184 953142680 /nfs/dbraw/zinc/14/26/80/953142680.db2.gz PHBLWCMAKDUDBJ-MNOVXSKESA-N -1 3 383.416 0.488 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)[C@@H]2C)[nH]n1 ZINC001571223190 953142737 /nfs/dbraw/zinc/14/27/37/953142737.db2.gz PKIYUODJAIZRED-PWSUYJOCSA-N -1 3 383.416 0.781 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)[C@@H]2C)[nH]n1 ZINC001571223190 953142745 /nfs/dbraw/zinc/14/27/45/953142745.db2.gz PKIYUODJAIZRED-PWSUYJOCSA-N -1 3 383.416 0.781 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001571223363 953143088 /nfs/dbraw/zinc/14/30/88/953143088.db2.gz QCXFTRCQYDIUEI-JTNHKYCSSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001571223363 953143094 /nfs/dbraw/zinc/14/30/94/953143094.db2.gz QCXFTRCQYDIUEI-JTNHKYCSSA-N -1 3 383.416 0.229 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001571223314 953143509 /nfs/dbraw/zinc/14/35/09/953143509.db2.gz SVXYZGDWLDYWQN-GXSJLCMTSA-N -1 3 383.416 0.188 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571223314 953143512 /nfs/dbraw/zinc/14/35/12/953143512.db2.gz SVXYZGDWLDYWQN-GXSJLCMTSA-N -1 3 383.416 0.188 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@H]1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223260 953143575 /nfs/dbraw/zinc/14/35/75/953143575.db2.gz RWRHOLIGARYTRY-PWSUYJOCSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@H]1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223260 953143579 /nfs/dbraw/zinc/14/35/79/953143579.db2.gz RWRHOLIGARYTRY-PWSUYJOCSA-N -1 3 383.416 0.555 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571223405 953144118 /nfs/dbraw/zinc/14/41/18/953144118.db2.gz QUGBLWJUCUQJAB-XYPYZODXSA-N -1 3 383.416 0.732 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571223405 953144122 /nfs/dbraw/zinc/14/41/22/953144122.db2.gz QUGBLWJUCUQJAB-XYPYZODXSA-N -1 3 383.416 0.732 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001571223460 953144313 /nfs/dbraw/zinc/14/43/13/953144313.db2.gz REZXNMURUOAJSH-MNOVXSKESA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001571223460 953144318 /nfs/dbraw/zinc/14/43/18/953144318.db2.gz REZXNMURUOAJSH-MNOVXSKESA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001571223461 953144493 /nfs/dbraw/zinc/14/44/93/953144493.db2.gz REZXNMURUOAJSH-QWRGUYRKSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001571223461 953144496 /nfs/dbraw/zinc/14/44/96/953144496.db2.gz REZXNMURUOAJSH-QWRGUYRKSA-N -1 3 383.416 0.446 20 0 GCADHM O=C(Cc1ccco1)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571223713 953145830 /nfs/dbraw/zinc/14/58/30/953145830.db2.gz SYYBLXUPGYBNOC-SFHVURJKSA-N -1 3 383.412 0.863 20 0 GCADHM O=C(Cc1ccco1)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571223713 953145832 /nfs/dbraw/zinc/14/58/32/953145832.db2.gz SYYBLXUPGYBNOC-SFHVURJKSA-N -1 3 383.412 0.863 20 0 GCADHM CCOc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)[nH]n1 ZINC001571223692 953146150 /nfs/dbraw/zinc/14/61/50/953146150.db2.gz SQXWRPOEAVPABX-GFCCVEGCSA-N -1 3 383.416 0.782 20 0 GCADHM CCOc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)[nH]n1 ZINC001571223692 953146152 /nfs/dbraw/zinc/14/61/52/953146152.db2.gz SQXWRPOEAVPABX-GFCCVEGCSA-N -1 3 383.416 0.782 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cnn(C)c1 ZINC001571223673 953146443 /nfs/dbraw/zinc/14/64/43/953146443.db2.gz SJMOQEFCMTULTK-NSHDSACASA-N -1 3 383.416 0.016 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cnn(C)c1 ZINC001571223673 953146447 /nfs/dbraw/zinc/14/64/47/953146447.db2.gz SJMOQEFCMTULTK-NSHDSACASA-N -1 3 383.416 0.016 20 0 GCADHM COCc1cc(N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)ncn1 ZINC001571223837 953146833 /nfs/dbraw/zinc/14/68/33/953146833.db2.gz YBGYCGATSJIPAY-GFCCVEGCSA-N -1 3 383.416 0.530 20 0 GCADHM COCc1cc(N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)ncn1 ZINC001571223837 953146836 /nfs/dbraw/zinc/14/68/36/953146836.db2.gz YBGYCGATSJIPAY-GFCCVEGCSA-N -1 3 383.416 0.530 20 0 GCADHM CCc1cc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)[nH]n1 ZINC001571223788 953147208 /nfs/dbraw/zinc/14/72/08/953147208.db2.gz VMQWGHXVYJVYRN-ZDUSSCGKSA-N -1 3 383.416 0.182 20 0 GCADHM CCc1cc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)[nH]n1 ZINC001571223788 953147213 /nfs/dbraw/zinc/14/72/13/953147213.db2.gz VMQWGHXVYJVYRN-ZDUSSCGKSA-N -1 3 383.416 0.182 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571224038 953148678 /nfs/dbraw/zinc/14/86/78/953148678.db2.gz XJQGPKKISIFEEX-PWSUYJOCSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571224038 953148681 /nfs/dbraw/zinc/14/86/81/953148681.db2.gz XJQGPKKISIFEEX-PWSUYJOCSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(C(=O)CCn2cccn2)C1 ZINC001571224147 953149210 /nfs/dbraw/zinc/14/92/10/953149210.db2.gz ZFXWKPVZWORVRB-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)CCn2cccn2)C1 ZINC001571224147 953149214 /nfs/dbraw/zinc/14/92/14/953149214.db2.gz ZFXWKPVZWORVRB-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM CC(C)c1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001571224145 953149625 /nfs/dbraw/zinc/14/96/25/953149625.db2.gz ZFDYQWNMPGPFQE-RYUDHWBXSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)c1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001571224145 953149627 /nfs/dbraw/zinc/14/96/27/953149627.db2.gz ZFDYQWNMPGPFQE-RYUDHWBXSA-N -1 3 383.416 0.800 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]2O)o1 ZINC001571224150 953149660 /nfs/dbraw/zinc/14/96/60/953149660.db2.gz ZLSWGPNLRIDNND-ZIAGYGMSSA-N -1 3 383.412 0.759 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]2O)o1 ZINC001571224150 953149662 /nfs/dbraw/zinc/14/96/62/953149662.db2.gz ZLSWGPNLRIDNND-ZIAGYGMSSA-N -1 3 383.412 0.759 20 0 GCADHM Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571224743 953150415 /nfs/dbraw/zinc/15/04/15/953150415.db2.gz FKXAOAZSSBAYMG-NSHDSACASA-N -1 3 383.416 0.129 20 0 GCADHM Cc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571224743 953150416 /nfs/dbraw/zinc/15/04/16/953150416.db2.gz FKXAOAZSSBAYMG-NSHDSACASA-N -1 3 383.416 0.129 20 0 GCADHM Cc1ncn(C)c1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571224713 953150740 /nfs/dbraw/zinc/15/07/40/953150740.db2.gz DXBBIICNPCWJBB-GHMZBOCLSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571224713 953150742 /nfs/dbraw/zinc/15/07/42/953150742.db2.gz DXBBIICNPCWJBB-GHMZBOCLSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571224714 953150832 /nfs/dbraw/zinc/15/08/32/953150832.db2.gz DXBBIICNPCWJBB-MNOVXSKESA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571224714 953150834 /nfs/dbraw/zinc/15/08/34/953150834.db2.gz DXBBIICNPCWJBB-MNOVXSKESA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)c[nH]1 ZINC001571224891 953151154 /nfs/dbraw/zinc/15/11/54/953151154.db2.gz FYKONFWKLWPPLR-MEBBXXQBSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)c[nH]1 ZINC001571224891 953151157 /nfs/dbraw/zinc/15/11/57/953151157.db2.gz FYKONFWKLWPPLR-MEBBXXQBSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)c[nH]1 ZINC001571224890 953151301 /nfs/dbraw/zinc/15/13/01/953151301.db2.gz FYKONFWKLWPPLR-BONVTDFDSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)c[nH]1 ZINC001571224890 953151303 /nfs/dbraw/zinc/15/13/03/953151303.db2.gz FYKONFWKLWPPLR-BONVTDFDSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n(C)n1 ZINC001571224886 953151347 /nfs/dbraw/zinc/15/13/47/953151347.db2.gz FWERIYXLFLVYJA-LBPRGKRZSA-N -1 3 383.416 0.223 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n(C)n1 ZINC001571224886 953151349 /nfs/dbraw/zinc/15/13/49/953151349.db2.gz FWERIYXLFLVYJA-LBPRGKRZSA-N -1 3 383.416 0.223 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571224761 953151389 /nfs/dbraw/zinc/15/13/89/953151389.db2.gz FNYSGGYAQOMHOS-PWSUYJOCSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571224761 953151392 /nfs/dbraw/zinc/15/13/92/953151392.db2.gz FNYSGGYAQOMHOS-PWSUYJOCSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1C ZINC001571224881 953151473 /nfs/dbraw/zinc/15/14/73/953151473.db2.gz FVTRWPPSJRMHNU-LLVKDONJSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1C ZINC001571224881 953151476 /nfs/dbraw/zinc/15/14/76/953151476.db2.gz FVTRWPPSJRMHNU-LLVKDONJSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC001571224919 953151510 /nfs/dbraw/zinc/15/15/10/953151510.db2.gz GNNCVHZVEIRKGZ-JQWIXIFHSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC001571224919 953151512 /nfs/dbraw/zinc/15/15/12/953151512.db2.gz GNNCVHZVEIRKGZ-JQWIXIFHSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1cc(NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc(CO)n1 ZINC001571225230 953152923 /nfs/dbraw/zinc/15/29/23/953152923.db2.gz IRTBSTPLEKJDFF-LLVKDONJSA-N -1 3 383.416 0.502 20 0 GCADHM Cc1cc(NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc(CO)n1 ZINC001571225230 953152925 /nfs/dbraw/zinc/15/29/25/953152925.db2.gz IRTBSTPLEKJDFF-LLVKDONJSA-N -1 3 383.416 0.502 20 0 GCADHM Cc1c[nH]nc1C(=O)N(C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571225583 953153014 /nfs/dbraw/zinc/15/30/14/953153014.db2.gz KHWNNMIOYQPTFL-UHFFFAOYSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1c[nH]nc1C(=O)N(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571225583 953153016 /nfs/dbraw/zinc/15/30/16/953153016.db2.gz KHWNNMIOYQPTFL-UHFFFAOYSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)[C@@H](C)C2)o1 ZINC001571225356 953153035 /nfs/dbraw/zinc/15/30/35/953153035.db2.gz JVQPDIPRGFSSTB-ZANVPECISA-N -1 3 383.416 0.763 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)[C@@H](C)C2)o1 ZINC001571225356 953153036 /nfs/dbraw/zinc/15/30/36/953153036.db2.gz JVQPDIPRGFSSTB-ZANVPECISA-N -1 3 383.416 0.763 20 0 GCADHM Cc1cnn(CC(=O)NC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571225652 953153515 /nfs/dbraw/zinc/15/35/15/953153515.db2.gz MLYRNHMOYKODOB-UHFFFAOYSA-N -1 3 383.416 0.025 20 0 GCADHM Cc1cnn(CC(=O)NC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571225652 953153517 /nfs/dbraw/zinc/15/35/17/953153517.db2.gz MLYRNHMOYKODOB-UHFFFAOYSA-N -1 3 383.416 0.025 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571225595 953153629 /nfs/dbraw/zinc/15/36/29/953153629.db2.gz KSPVUYFQGSRNSA-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571225595 953153632 /nfs/dbraw/zinc/15/36/32/953153632.db2.gz KSPVUYFQGSRNSA-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1n[nH]c(C(=O)NC[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1[O-] ZINC001571225879 953154545 /nfs/dbraw/zinc/15/45/45/953154545.db2.gz NIUWZMPXQXFUCZ-LLVKDONJSA-N -1 3 383.416 0.564 20 0 GCADHM Cc1cc(N(C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc(CO)n1 ZINC001571225894 953154814 /nfs/dbraw/zinc/15/48/14/953154814.db2.gz NTEHQIPEVLYTFY-LBPRGKRZSA-N -1 3 383.416 0.136 20 0 GCADHM Cc1cc(N(C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc(CO)n1 ZINC001571225894 953154818 /nfs/dbraw/zinc/15/48/18/953154818.db2.gz NTEHQIPEVLYTFY-LBPRGKRZSA-N -1 3 383.416 0.136 20 0 GCADHM Cc1ccn(CC(=O)N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001571225970 953155166 /nfs/dbraw/zinc/15/51/66/953155166.db2.gz PLVAEYLQQSGYFQ-UHFFFAOYSA-N -1 3 383.416 0.074 20 0 GCADHM Cc1ccn(CC(=O)N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001571225970 953155171 /nfs/dbraw/zinc/15/51/71/953155171.db2.gz PLVAEYLQQSGYFQ-UHFFFAOYSA-N -1 3 383.416 0.074 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571226442 953155385 /nfs/dbraw/zinc/15/53/85/953155385.db2.gz QWICPEYBHZDBLS-PWSUYJOCSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571226442 953155386 /nfs/dbraw/zinc/15/53/86/953155386.db2.gz QWICPEYBHZDBLS-PWSUYJOCSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571226636 953156582 /nfs/dbraw/zinc/15/65/82/953156582.db2.gz UIXDWCYCMYASKY-UHFFFAOYSA-N -1 3 383.416 0.509 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571226636 953156584 /nfs/dbraw/zinc/15/65/84/953156584.db2.gz UIXDWCYCMYASKY-UHFFFAOYSA-N -1 3 383.416 0.509 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571226679 953156639 /nfs/dbraw/zinc/15/66/39/953156639.db2.gz VUZIILQCZXEFKF-GFCCVEGCSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571226679 953156641 /nfs/dbraw/zinc/15/66/41/953156641.db2.gz VUZIILQCZXEFKF-GFCCVEGCSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1cc(N[C@H](C)[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)ncn1 ZINC001571226675 953156912 /nfs/dbraw/zinc/15/69/12/953156912.db2.gz VSFVAOLAXDCCLM-RISCZKNCSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1cc(N[C@H](C)[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)ncn1 ZINC001571226675 953156913 /nfs/dbraw/zinc/15/69/13/953156913.db2.gz VSFVAOLAXDCCLM-RISCZKNCSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1cc(N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc(CO)n1 ZINC001571226901 953157045 /nfs/dbraw/zinc/15/70/45/953157045.db2.gz WJWWHGUACSVQGL-KLPPZKSPSA-N -1 3 383.416 0.406 20 0 GCADHM Cc1cc(N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc(CO)n1 ZINC001571226901 953157046 /nfs/dbraw/zinc/15/70/46/953157046.db2.gz WJWWHGUACSVQGL-KLPPZKSPSA-N -1 3 383.416 0.406 20 0 GCADHM Cc1nc(C(=O)N2CCCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c[nH]1 ZINC001571227112 953158303 /nfs/dbraw/zinc/15/83/03/953158303.db2.gz YZEKBORXJPPVAY-GFCCVEGCSA-N -1 3 383.416 0.651 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)nc(CO)n1 ZINC001571227127 953158327 /nfs/dbraw/zinc/15/83/27/953158327.db2.gz ZIIHGBORAZMOQP-PWSUYJOCSA-N -1 3 383.416 0.183 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)nc(CO)n1 ZINC001571227127 953158329 /nfs/dbraw/zinc/15/83/29/953158329.db2.gz ZIIHGBORAZMOQP-PWSUYJOCSA-N -1 3 383.416 0.183 20 0 GCADHM Cn1cc([C@]2(CNC(=O)NCc3ccc(-c4nnn[n-]4)cn3)CCCO2)cn1 ZINC001571227843 953159954 /nfs/dbraw/zinc/15/99/54/953159954.db2.gz CZDBGMUPADFKKP-QGZVFWFLSA-N -1 3 383.416 0.500 20 0 GCADHM Cn1cc([C@]2(CNC(=O)NCc3ccc(-c4nn[n-]n4)cn3)CCCO2)cn1 ZINC001571227843 953159955 /nfs/dbraw/zinc/15/99/55/953159955.db2.gz CZDBGMUPADFKKP-QGZVFWFLSA-N -1 3 383.416 0.500 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2[nH]nnc2C)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571227858 953160603 /nfs/dbraw/zinc/16/06/03/953160603.db2.gz DMDDGGLUVHOKCQ-CMPLNLGQSA-N -1 3 383.420 0.179 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571227853 953160841 /nfs/dbraw/zinc/16/08/41/953160841.db2.gz DEKJFULFAJQPFU-ZYHUDNBSSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571227853 953160842 /nfs/dbraw/zinc/16/08/42/953160842.db2.gz DEKJFULFAJQPFU-ZYHUDNBSSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cnc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571227851 953161013 /nfs/dbraw/zinc/16/10/13/953161013.db2.gz DEKJFULFAJQPFU-JQWIXIFHSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cnc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571227851 953161014 /nfs/dbraw/zinc/16/10/14/953161014.db2.gz DEKJFULFAJQPFU-JQWIXIFHSA-N -1 3 383.416 0.257 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)Cc1nnc[nH]1 ZINC001571228105 953161418 /nfs/dbraw/zinc/16/14/18/953161418.db2.gz INETUABDGLYNFZ-PWSUYJOCSA-N -1 3 383.420 0.199 20 0 GCADHM Cc1nonc1CC(=O)N[C@@H]1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571228263 953163063 /nfs/dbraw/zinc/16/30/63/953163063.db2.gz LYDNLSCMIJJXKN-VXGBXAGGSA-N -1 3 383.416 0.893 20 0 GCADHM Cc1nonc1CC(=O)N[C@@H]1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571228263 953163065 /nfs/dbraw/zinc/16/30/65/953163065.db2.gz LYDNLSCMIJJXKN-VXGBXAGGSA-N -1 3 383.416 0.893 20 0 GCADHM O=C(Cn1cccn1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228212 953163109 /nfs/dbraw/zinc/16/31/09/953163109.db2.gz KXJVLKXUAJBWMN-AWEZNQCLSA-N -1 3 383.416 0.188 20 0 GCADHM O=C(Cn1cccn1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228212 953163112 /nfs/dbraw/zinc/16/31/12/953163112.db2.gz KXJVLKXUAJBWMN-AWEZNQCLSA-N -1 3 383.416 0.188 20 0 GCADHM Cc1nonc1CC(=O)N[C@@H]1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571228261 953163188 /nfs/dbraw/zinc/16/31/88/953163188.db2.gz LYDNLSCMIJJXKN-NWDGAFQWSA-N -1 3 383.416 0.893 20 0 GCADHM Cc1nonc1CC(=O)N[C@@H]1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571228261 953163189 /nfs/dbraw/zinc/16/31/89/953163189.db2.gz LYDNLSCMIJJXKN-NWDGAFQWSA-N -1 3 383.416 0.893 20 0 GCADHM Cc1nonc1CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571228357 953163659 /nfs/dbraw/zinc/16/36/59/953163659.db2.gz NMSURDJIEVWDCV-LBPRGKRZSA-N -1 3 383.416 0.671 20 0 GCADHM Cc1nonc1CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571228357 953163661 /nfs/dbraw/zinc/16/36/61/953163661.db2.gz NMSURDJIEVWDCV-LBPRGKRZSA-N -1 3 383.416 0.671 20 0 GCADHM O=C(c1cn[nH]c1)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228423 953164554 /nfs/dbraw/zinc/16/45/54/953164554.db2.gz OZGUVLMULDVRBQ-CQSZACIVSA-N -1 3 383.416 0.088 20 0 GCADHM O=C(c1cn[nH]c1)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228423 953164558 /nfs/dbraw/zinc/16/45/58/953164558.db2.gz OZGUVLMULDVRBQ-CQSZACIVSA-N -1 3 383.416 0.088 20 0 GCADHM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCCN2C(=O)c2nc[nH]n2)n1 ZINC001571228517 953164564 /nfs/dbraw/zinc/16/45/64/953164564.db2.gz QGWUVSISSCGGTD-SNVBAGLBSA-N -1 3 383.420 0.078 20 0 GCADHM O=C(Cn1ccnc1)N[C@@H]1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571228498 953164694 /nfs/dbraw/zinc/16/46/94/953164694.db2.gz PUHACPABSHUORD-CHWSQXEVSA-N -1 3 383.416 0.249 20 0 GCADHM O=C(NC[C@H]1CCN(Cc2nnc(C3CC3)o2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571228582 953164999 /nfs/dbraw/zinc/16/49/99/953164999.db2.gz SKZRNSBAPNBHJQ-SNVBAGLBSA-N -1 3 383.416 0.707 20 0 GCADHM O=C(NC[C@H]1CCN(Cc2nnc(C3CC3)o2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571228582 953165002 /nfs/dbraw/zinc/16/50/02/953165002.db2.gz SKZRNSBAPNBHJQ-SNVBAGLBSA-N -1 3 383.416 0.707 20 0 GCADHM O=C(NC[C@H]1CCCN1Cc1nc(C2CC2)no1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571228535 953165505 /nfs/dbraw/zinc/16/55/05/953165505.db2.gz QWRZGDNATDLUDU-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(NC[C@H]1CCCN1Cc1nc(C2CC2)no1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571228535 953165507 /nfs/dbraw/zinc/16/55/07/953165507.db2.gz QWRZGDNATDLUDU-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nc2)[nH]c1=O ZINC001571228834 953166989 /nfs/dbraw/zinc/16/69/89/953166989.db2.gz WICYPHOQPUSQIP-LLVKDONJSA-N -1 3 383.416 0.490 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nc2)[nH]c1=O ZINC001571228834 953166991 /nfs/dbraw/zinc/16/69/91/953166991.db2.gz WICYPHOQPUSQIP-LLVKDONJSA-N -1 3 383.416 0.490 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)[C@H](C)C1 ZINC001571229180 953168672 /nfs/dbraw/zinc/16/86/72/953168672.db2.gz AJPOLQWNCXXVLY-MWLCHTKSSA-N -1 3 383.420 0.294 20 0 GCADHM O=C(NCCn1cncn1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571229992 953173219 /nfs/dbraw/zinc/17/32/19/953173219.db2.gz QKHORXWIVXUUNR-ZDUSSCGKSA-N -1 3 383.420 0.139 20 0 GCADHM O=C(NCCn1cncn1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571229992 953173221 /nfs/dbraw/zinc/17/32/21/953173221.db2.gz QKHORXWIVXUUNR-ZDUSSCGKSA-N -1 3 383.420 0.139 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2)c1csnn1 ZINC001571230199 953174349 /nfs/dbraw/zinc/17/43/49/953174349.db2.gz AAQHYMSLFRHVBY-ZBEGNZNMSA-N -1 3 383.441 0.902 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2)c1csnn1 ZINC001571230199 953174353 /nfs/dbraw/zinc/17/43/53/953174353.db2.gz AAQHYMSLFRHVBY-ZBEGNZNMSA-N -1 3 383.441 0.902 20 0 GCADHM CC(C)CN1C[C@H](C(=O)N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)CC1=O ZINC001571230719 953179748 /nfs/dbraw/zinc/17/97/48/953179748.db2.gz IOPJPRPNTBACCB-CQSZACIVSA-N -1 3 383.456 0.994 20 0 GCADHM CC(C)CN1C[C@H](C(=O)N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)CC1=O ZINC001571230719 953179750 /nfs/dbraw/zinc/17/97/50/953179750.db2.gz IOPJPRPNTBACCB-CQSZACIVSA-N -1 3 383.456 0.994 20 0 GCADHM O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1csc(-c2nnn[n-]2)c1 ZINC001571230947 953181724 /nfs/dbraw/zinc/18/17/24/953181724.db2.gz NVDMMNMODSXUGW-YGRLFVJLSA-N -1 3 383.455 0.394 20 0 GCADHM O=C(c1csnn1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571230952 953181764 /nfs/dbraw/zinc/18/17/64/953181764.db2.gz NZNRYELJDPGUIT-YPMHNXCESA-N -1 3 383.441 0.854 20 0 GCADHM O=C(c1csnn1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571230952 953181766 /nfs/dbraw/zinc/18/17/66/953181766.db2.gz NZNRYELJDPGUIT-YPMHNXCESA-N -1 3 383.441 0.854 20 0 GCADHM Cc1nc(N2C[C@@H]3CCN(C(=O)c4cnsn4)[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001571230993 953181826 /nfs/dbraw/zinc/18/18/26/953181826.db2.gz PNQVSHCJTRMWFU-GXFFZTMASA-N -1 3 383.441 0.773 20 0 GCADHM Cc1nc(N2C[C@@H]3CCN(C(=O)c4cnsn4)[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001571230993 953181827 /nfs/dbraw/zinc/18/18/27/953181827.db2.gz PNQVSHCJTRMWFU-GXFFZTMASA-N -1 3 383.441 0.773 20 0 GCADHM O=S(=O)(NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1-c1nnn[n-]1 ZINC001571230987 953182024 /nfs/dbraw/zinc/18/20/24/953182024.db2.gz PETGNFDVVBNNOO-FGWVZKOKSA-N -1 3 383.455 0.253 20 0 GCADHM O=S(=O)(NC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1-c1nn[n-]n1 ZINC001571230987 953182027 /nfs/dbraw/zinc/18/20/27/953182027.db2.gz PETGNFDVVBNNOO-FGWVZKOKSA-N -1 3 383.455 0.253 20 0 GCADHM O=C(C1CCC(O)CC1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571233285 953191418 /nfs/dbraw/zinc/19/14/18/953191418.db2.gz RAOHFBXJKYKUBC-ZNCQXSQZSA-N -1 3 383.456 0.850 20 0 GCADHM O=C(C1CCC(O)CC1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571233285 953191421 /nfs/dbraw/zinc/19/14/21/953191421.db2.gz RAOHFBXJKYKUBC-ZNCQXSQZSA-N -1 3 383.456 0.850 20 0 GCADHM O=C(CC1(O)CCC1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571233655 953194281 /nfs/dbraw/zinc/19/42/81/953194281.db2.gz ZLQQBAYWXSWTML-SFHVURJKSA-N -1 3 383.456 0.996 20 0 GCADHM O=C(CC1(O)CCC1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571233655 953194284 /nfs/dbraw/zinc/19/42/84/953194284.db2.gz ZLQQBAYWXSWTML-SFHVURJKSA-N -1 3 383.456 0.996 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571233682 953194855 /nfs/dbraw/zinc/19/48/55/953194855.db2.gz AJPTYPRFEDNNJG-MGPQQGTHSA-N -1 3 383.460 0.036 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571233737 953195114 /nfs/dbraw/zinc/19/51/14/953195114.db2.gz BXZKMFIUJPDIET-UQOMUDLDSA-N -1 3 383.460 0.367 20 0 GCADHM CN1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nnn[n-]2)n1 ZINC001571234159 953199301 /nfs/dbraw/zinc/19/93/01/953199301.db2.gz OIIANHKUGKQHAY-MJBXVCDLSA-N -1 3 383.460 0.321 20 0 GCADHM CN1CCC[C@H]1C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571234319 953200613 /nfs/dbraw/zinc/20/06/13/953200613.db2.gz UFZYBYZWSCSFJR-STQMWFEESA-N -1 3 383.460 0.226 20 0 GCADHM CN1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nnn[n-]2)n1 ZINC001571234302 953200699 /nfs/dbraw/zinc/20/06/99/953200699.db2.gz SYMKRMSSNSZABC-WTUNAVPPSA-N -1 3 383.460 0.367 20 0 GCADHM C[S@](=O)CCN1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571234652 953204938 /nfs/dbraw/zinc/20/49/38/953204938.db2.gz FGXGFYDHABDXIA-VWLOTQADSA-N -1 3 383.865 0.051 20 0 GCADHM C[S@](=O)CCN1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571234652 953204941 /nfs/dbraw/zinc/20/49/41/953204941.db2.gz FGXGFYDHABDXIA-VWLOTQADSA-N -1 3 383.865 0.051 20 0 GCADHM COc1cc(C(=O)NC2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)ncn1 ZINC001571234903 953206982 /nfs/dbraw/zinc/20/69/82/953206982.db2.gz MHOGWOBRKMMJCV-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM COc1cc(C(=O)NC2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)ncn1 ZINC001571234903 953206984 /nfs/dbraw/zinc/20/69/84/953206984.db2.gz MHOGWOBRKMMJCV-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571234979 953207605 /nfs/dbraw/zinc/20/76/05/953207605.db2.gz ONNXZLKITKAFHT-JOYOIKCWSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571234979 953207607 /nfs/dbraw/zinc/20/76/07/953207607.db2.gz ONNXZLKITKAFHT-JOYOIKCWSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cncc(F)c1 ZINC001571234998 953207658 /nfs/dbraw/zinc/20/76/58/953207658.db2.gz PEFUDFGOJHCPEA-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cncc(F)c1 ZINC001571234998 953207661 /nfs/dbraw/zinc/20/76/61/953207661.db2.gz PEFUDFGOJHCPEA-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(=O)c1ccon1 ZINC001571235355 953211339 /nfs/dbraw/zinc/21/13/39/953211339.db2.gz BDMSKTHNAJVLLB-LLVKDONJSA-N -1 3 384.400 0.807 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(=O)c1ccon1 ZINC001571235355 953211341 /nfs/dbraw/zinc/21/13/41/953211341.db2.gz BDMSKTHNAJVLLB-LLVKDONJSA-N -1 3 384.400 0.807 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571235330 953211527 /nfs/dbraw/zinc/21/15/27/953211527.db2.gz AAOJKHBTIYILKC-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571235330 953211530 /nfs/dbraw/zinc/21/15/30/953211530.db2.gz AAOJKHBTIYILKC-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)NC2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)c1 ZINC001571235331 953211672 /nfs/dbraw/zinc/21/16/72/953211672.db2.gz ABRYOMHNCWYJPK-UHFFFAOYSA-N -1 3 384.375 0.047 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)NC2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)c1 ZINC001571235331 953211674 /nfs/dbraw/zinc/21/16/74/953211674.db2.gz ABRYOMHNCWYJPK-UHFFFAOYSA-N -1 3 384.375 0.047 20 0 GCADHM CCc1oncc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571235371 953212284 /nfs/dbraw/zinc/21/22/84/953212284.db2.gz BPIXOJFUVPQUEL-GFCCVEGCSA-N -1 3 384.400 0.447 20 0 GCADHM CCc1oncc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571235371 953212288 /nfs/dbraw/zinc/21/22/88/953212288.db2.gz BPIXOJFUVPQUEL-GFCCVEGCSA-N -1 3 384.400 0.447 20 0 GCADHM O=C(NC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)c1c[nH]c(=O)cn1 ZINC001571235392 953212350 /nfs/dbraw/zinc/21/23/50/953212350.db2.gz CCOZAKXCUDJPLV-SNVBAGLBSA-N -1 3 384.375 0.345 20 0 GCADHM O=C(NC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)c1c[nH]c(=O)cn1 ZINC001571235392 953212355 /nfs/dbraw/zinc/21/23/55/953212355.db2.gz CCOZAKXCUDJPLV-SNVBAGLBSA-N -1 3 384.375 0.345 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1CNC(=O)c1cnco1 ZINC001571235381 953212460 /nfs/dbraw/zinc/21/24/60/953212460.db2.gz BYQAHFUDLHPOSS-QWRGUYRKSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1CNC(=O)c1cnco1 ZINC001571235381 953212466 /nfs/dbraw/zinc/21/24/66/953212466.db2.gz BYQAHFUDLHPOSS-QWRGUYRKSA-N -1 3 384.400 0.711 20 0 GCADHM COc1ccc(C(=O)N[C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)C[C@H]2O)o1 ZINC001571235453 953212797 /nfs/dbraw/zinc/21/27/97/953212797.db2.gz FOYLSTSOZKSTBB-ZIAGYGMSSA-N -1 3 384.396 0.443 20 0 GCADHM CCc1oncc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235525 953213550 /nfs/dbraw/zinc/21/35/50/953213550.db2.gz HKHQWACAOJFDEF-VIFPVBQESA-N -1 3 384.400 0.636 20 0 GCADHM CCc1oncc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235525 953213552 /nfs/dbraw/zinc/21/35/52/953213552.db2.gz HKHQWACAOJFDEF-VIFPVBQESA-N -1 3 384.400 0.636 20 0 GCADHM COCc1nocc1C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571235646 953214166 /nfs/dbraw/zinc/21/41/66/953214166.db2.gz LZEJDPMKJAHZKO-NSHDSACASA-N -1 3 384.400 0.795 20 0 GCADHM COCc1nocc1C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571235646 953214169 /nfs/dbraw/zinc/21/41/69/953214169.db2.gz LZEJDPMKJAHZKO-NSHDSACASA-N -1 3 384.400 0.795 20 0 GCADHM CCc1ocnc1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235663 953214302 /nfs/dbraw/zinc/21/43/02/953214302.db2.gz MJNNGYDHZKXGCF-ONGXEEELSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ocnc1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235663 953214304 /nfs/dbraw/zinc/21/43/04/953214304.db2.gz MJNNGYDHZKXGCF-ONGXEEELSA-N -1 3 384.400 0.778 20 0 GCADHM Cn1nc(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)ccc1=O ZINC001571235739 953215420 /nfs/dbraw/zinc/21/54/20/953215420.db2.gz PEHBXEVXLJNPBV-JTQLQIEISA-N -1 3 384.375 0.108 20 0 GCADHM Cn1nc(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)ccc1=O ZINC001571235739 953215424 /nfs/dbraw/zinc/21/54/24/953215424.db2.gz PEHBXEVXLJNPBV-JTQLQIEISA-N -1 3 384.375 0.108 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235851 953215663 /nfs/dbraw/zinc/21/56/63/953215663.db2.gz QCVQGGHTWRSKKG-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235851 953215667 /nfs/dbraw/zinc/21/56/67/953215667.db2.gz QCVQGGHTWRSKKG-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CCCc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571235903 953215734 /nfs/dbraw/zinc/21/57/34/953215734.db2.gz QXGYXADEMOJPCZ-JTQLQIEISA-N -1 3 384.400 0.780 20 0 GCADHM CCCc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571235903 953215736 /nfs/dbraw/zinc/21/57/36/953215736.db2.gz QXGYXADEMOJPCZ-JTQLQIEISA-N -1 3 384.400 0.780 20 0 GCADHM CCc1ncoc1C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571235877 953216193 /nfs/dbraw/zinc/21/61/93/953216193.db2.gz QJIJJWWMBHYYJP-UHFFFAOYSA-N -1 3 384.400 0.780 20 0 GCADHM CCc1ncoc1C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571235877 953216195 /nfs/dbraw/zinc/21/61/95/953216195.db2.gz QJIJJWWMBHYYJP-UHFFFAOYSA-N -1 3 384.400 0.780 20 0 GCADHM CN(C(=O)c1cocn1)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571236214 953216614 /nfs/dbraw/zinc/21/66/14/953216614.db2.gz VSEMWXCIGDZBMY-UHFFFAOYSA-N -1 3 384.400 0.996 20 0 GCADHM CN(C(=O)c1cocn1)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571236214 953216617 /nfs/dbraw/zinc/21/66/17/953216617.db2.gz VSEMWXCIGDZBMY-UHFFFAOYSA-N -1 3 384.400 0.996 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001571236183 953216803 /nfs/dbraw/zinc/21/68/03/953216803.db2.gz UJSHMMCBVYINOD-SNVBAGLBSA-N -1 3 384.375 0.806 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001571236183 953216805 /nfs/dbraw/zinc/21/68/05/953216805.db2.gz UJSHMMCBVYINOD-SNVBAGLBSA-N -1 3 384.375 0.806 20 0 GCADHM CN(C(=O)c1cnco1)C1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571236332 953217207 /nfs/dbraw/zinc/21/72/07/953217207.db2.gz WNRNYLNHTGDVET-UHFFFAOYSA-N -1 3 384.400 0.996 20 0 GCADHM CN(C(=O)c1cnco1)C1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571236332 953217209 /nfs/dbraw/zinc/21/72/09/953217209.db2.gz WNRNYLNHTGDVET-UHFFFAOYSA-N -1 3 384.400 0.996 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)c1ccc(F)cn1 ZINC001571236395 953217251 /nfs/dbraw/zinc/21/72/51/953217251.db2.gz YNADZGWIUPNDDD-YMTOWFKASA-N -1 3 384.375 0.619 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)c1ccc(F)cn1 ZINC001571236395 953217252 /nfs/dbraw/zinc/21/72/52/953217252.db2.gz YNADZGWIUPNDDD-YMTOWFKASA-N -1 3 384.375 0.619 20 0 GCADHM CCc1ocnc1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001571236406 953218314 /nfs/dbraw/zinc/21/83/14/953218314.db2.gz YYAYHFKNMSYFFV-VXGBXAGGSA-N -1 3 384.400 0.100 20 0 GCADHM CCc1ocnc1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001571236406 953218317 /nfs/dbraw/zinc/21/83/17/953218317.db2.gz YYAYHFKNMSYFFV-VXGBXAGGSA-N -1 3 384.400 0.100 20 0 GCADHM Cc1noc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1C ZINC001571236722 953218913 /nfs/dbraw/zinc/21/89/13/953218913.db2.gz CDRABCAOZOFKFV-UFBFGSQYSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1noc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1C ZINC001571236722 953218916 /nfs/dbraw/zinc/21/89/16/953218916.db2.gz CDRABCAOZOFKFV-UFBFGSQYSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1conc1C(=O)NC1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571236723 953219020 /nfs/dbraw/zinc/21/90/20/953219020.db2.gz CEGWZGMFKWNLMH-UHFFFAOYSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1conc1C(=O)NC1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571236723 953219022 /nfs/dbraw/zinc/21/90/22/953219022.db2.gz CEGWZGMFKWNLMH-UHFFFAOYSA-N -1 3 384.400 0.962 20 0 GCADHM COc1cc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571237163 953220349 /nfs/dbraw/zinc/22/03/49/953220349.db2.gz GCAMUIHQVCHGPZ-GFCCVEGCSA-N -1 3 384.400 0.904 20 0 GCADHM COc1cc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571237163 953220350 /nfs/dbraw/zinc/22/03/50/953220350.db2.gz GCAMUIHQVCHGPZ-GFCCVEGCSA-N -1 3 384.400 0.904 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571237264 953220611 /nfs/dbraw/zinc/22/06/11/953220611.db2.gz GRWWYCAPGCLHFA-KRWDZBQOSA-N -1 3 384.400 0.258 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571237264 953220612 /nfs/dbraw/zinc/22/06/12/953220612.db2.gz GRWWYCAPGCLHFA-KRWDZBQOSA-N -1 3 384.400 0.258 20 0 GCADHM Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001571237147 953220885 /nfs/dbraw/zinc/22/08/85/953220885.db2.gz FUXCRQOBHMTPPH-UHFFFAOYSA-N -1 3 384.400 0.881 20 0 GCADHM Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001571237147 953220888 /nfs/dbraw/zinc/22/08/88/953220888.db2.gz FUXCRQOBHMTPPH-UHFFFAOYSA-N -1 3 384.400 0.881 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571237482 953221398 /nfs/dbraw/zinc/22/13/98/953221398.db2.gz ITNSIFSSFSMJRQ-LBPRGKRZSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571237482 953221399 /nfs/dbraw/zinc/22/13/99/953221399.db2.gz ITNSIFSSFSMJRQ-LBPRGKRZSA-N -1 3 384.400 0.868 20 0 GCADHM COc1cc(C(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)nc3)CC2)on1 ZINC001571237640 953222122 /nfs/dbraw/zinc/22/21/22/953222122.db2.gz KEORXHPHBRLSIG-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM COc1cc(C(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)nc3)CC2)on1 ZINC001571237640 953222124 /nfs/dbraw/zinc/22/21/24/953222124.db2.gz KEORXHPHBRLSIG-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM Cc1conc1C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571237689 953223480 /nfs/dbraw/zinc/22/34/80/953223480.db2.gz LTRXUEQKHFVOLG-MNOVXSKESA-N -1 3 384.400 0.914 20 0 GCADHM Cc1conc1C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571237689 953223482 /nfs/dbraw/zinc/22/34/82/953223482.db2.gz LTRXUEQKHFVOLG-MNOVXSKESA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001571237882 953223492 /nfs/dbraw/zinc/22/34/92/953223492.db2.gz NAHUMRFOFJNLQD-GHMZBOCLSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001571237882 953223493 /nfs/dbraw/zinc/22/34/93/953223493.db2.gz NAHUMRFOFJNLQD-GHMZBOCLSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1cc(CCC(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571237931 953223910 /nfs/dbraw/zinc/22/39/10/953223910.db2.gz OIVORWRUGLPXSD-ZDUSSCGKSA-N -1 3 384.400 0.455 20 0 GCADHM Cc1cc(CCC(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571237931 953223912 /nfs/dbraw/zinc/22/39/12/953223912.db2.gz OIVORWRUGLPXSD-ZDUSSCGKSA-N -1 3 384.400 0.455 20 0 GCADHM Cc1nc(C(=O)N2CCC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)co1 ZINC001571237916 953224122 /nfs/dbraw/zinc/22/41/22/953224122.db2.gz OAZDCPXGVYJHRT-UHFFFAOYSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1nc(C(=O)N2CCC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)co1 ZINC001571237916 953224126 /nfs/dbraw/zinc/22/41/26/953224126.db2.gz OAZDCPXGVYJHRT-UHFFFAOYSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1cc(CC(=O)N(C)[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571237973 953224328 /nfs/dbraw/zinc/22/43/28/953224328.db2.gz PJFZUSMRDVIUED-CYBMUJFWSA-N -1 3 384.400 0.407 20 0 GCADHM Cc1cc(CC(=O)N(C)[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571237973 953224330 /nfs/dbraw/zinc/22/43/30/953224330.db2.gz PJFZUSMRDVIUED-CYBMUJFWSA-N -1 3 384.400 0.407 20 0 GCADHM Cc1ncc(CC(=O)N2CCO[C@H](CNc3ncccc3-c3nnn[n-]3)C2)o1 ZINC001571238070 953224667 /nfs/dbraw/zinc/22/46/67/953224667.db2.gz SVRDZNDPKSLDIW-CYBMUJFWSA-N -1 3 384.400 0.440 20 0 GCADHM Cc1ncc(CC(=O)N2CCO[C@H](CNc3ncccc3-c3nn[n-]n3)C2)o1 ZINC001571238070 953224669 /nfs/dbraw/zinc/22/46/69/953224669.db2.gz SVRDZNDPKSLDIW-CYBMUJFWSA-N -1 3 384.400 0.440 20 0 GCADHM Cc1noc(C)c1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238060 953224745 /nfs/dbraw/zinc/22/47/45/953224745.db2.gz SKSQIOPHEKWCRU-PHIMTYICSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1noc(C)c1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238060 953224747 /nfs/dbraw/zinc/22/47/47/953224747.db2.gz SKSQIOPHEKWCRU-PHIMTYICSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1cc(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571238228 953226066 /nfs/dbraw/zinc/22/60/66/953226066.db2.gz XGGRJTUFQCKMMC-ZDUSSCGKSA-N -1 3 384.400 0.901 20 0 GCADHM Cc1cc(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571238228 953226069 /nfs/dbraw/zinc/22/60/69/953226069.db2.gz XGGRJTUFQCKMMC-ZDUSSCGKSA-N -1 3 384.400 0.901 20 0 GCADHM Cn1cc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)[nH]c1=O ZINC001571238719 953232318 /nfs/dbraw/zinc/23/23/18/953232318.db2.gz LDAXTEXRXZSJEQ-JTQLQIEISA-N -1 3 384.404 0.203 20 0 GCADHM Cn1cc(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nnn[n-]3)C2)[nH]c1=O ZINC001571239071 953235543 /nfs/dbraw/zinc/23/55/43/953235543.db2.gz PWEWVIRXCVSGED-MRXNPFEDSA-N -1 3 384.404 0.060 20 0 GCADHM Cc1c(CC(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cnn1C ZINC001571239901 953244133 /nfs/dbraw/zinc/24/41/33/953244133.db2.gz UISGLXUDJJGJSI-UHFFFAOYSA-N -1 3 384.419 0.939 20 0 GCADHM Cc1c(CC(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cnn1C ZINC001571239901 953244134 /nfs/dbraw/zinc/24/41/34/953244134.db2.gz UISGLXUDJJGJSI-UHFFFAOYSA-N -1 3 384.419 0.939 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC2(C1)CCN(C(=O)c1ccns1)C2 ZINC001571241475 953246503 /nfs/dbraw/zinc/24/65/03/953246503.db2.gz AJPCTJJIOYQBBH-UHFFFAOYSA-N -1 3 384.425 0.640 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC2(C1)CCN(C(=O)c1ccns1)C2 ZINC001571241475 953246505 /nfs/dbraw/zinc/24/65/05/953246505.db2.gz AJPCTJJIOYQBBH-UHFFFAOYSA-N -1 3 384.425 0.640 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571241654 953247916 /nfs/dbraw/zinc/24/79/16/953247916.db2.gz HMLWDNUJXIULCO-NXEZZACHSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571241654 953247921 /nfs/dbraw/zinc/24/79/21/953247921.db2.gz HMLWDNUJXIULCO-NXEZZACHSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571241655 953248106 /nfs/dbraw/zinc/24/81/06/953248106.db2.gz HMLWDNUJXIULCO-UWVGGRQHSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571241655 953248108 /nfs/dbraw/zinc/24/81/08/953248108.db2.gz HMLWDNUJXIULCO-UWVGGRQHSA-N -1 3 384.437 0.969 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571241831 953250606 /nfs/dbraw/zinc/25/06/06/953250606.db2.gz MJXPOJKLCYGGFD-SMDDNHRTSA-N -1 3 384.444 0.246 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571241831 953250609 /nfs/dbraw/zinc/25/06/09/953250609.db2.gz MJXPOJKLCYGGFD-SMDDNHRTSA-N -1 3 384.444 0.246 20 0 GCADHM Cc1ncsc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571242169 953253784 /nfs/dbraw/zinc/25/37/84/953253784.db2.gz WFARGTBEGNWJJY-GDGBQDQQSA-N -1 3 384.425 0.460 20 0 GCADHM Cc1ncsc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571242169 953253785 /nfs/dbraw/zinc/25/37/85/953253785.db2.gz WFARGTBEGNWJJY-GDGBQDQQSA-N -1 3 384.425 0.460 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsn1 ZINC001571242230 953254567 /nfs/dbraw/zinc/25/45/67/953254567.db2.gz XHRMWCURXYXBHS-XWIASGKRSA-N -1 3 384.425 0.827 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsn1 ZINC001571242230 953254569 /nfs/dbraw/zinc/25/45/69/953254569.db2.gz XHRMWCURXYXBHS-XWIASGKRSA-N -1 3 384.425 0.827 20 0 GCADHM NC(=O)c1csc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571242248 953254920 /nfs/dbraw/zinc/25/49/20/953254920.db2.gz XWDWIZXDMFMNEM-JTQLQIEISA-N -1 3 384.425 0.431 20 0 GCADHM NC(=O)c1csc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571242248 953254923 /nfs/dbraw/zinc/25/49/23/953254923.db2.gz XWDWIZXDMFMNEM-JTQLQIEISA-N -1 3 384.425 0.431 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)c1nccs1 ZINC001571242218 953254980 /nfs/dbraw/zinc/25/49/80/953254980.db2.gz WVAAPTWSPSMVHL-RTCCRHLQSA-N -1 3 384.425 0.399 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)c1nccs1 ZINC001571242218 953254983 /nfs/dbraw/zinc/25/49/83/953254983.db2.gz WVAAPTWSPSMVHL-RTCCRHLQSA-N -1 3 384.425 0.399 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001571242302 953255763 /nfs/dbraw/zinc/25/57/63/953255763.db2.gz CSUMYXHXHJOZLS-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001571242302 953255766 /nfs/dbraw/zinc/25/57/66/953255766.db2.gz CSUMYXHXHJOZLS-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM CCN1C[C@H](C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571242492 953256697 /nfs/dbraw/zinc/25/66/97/953256697.db2.gz HUUHPNSQWFCUDB-ACJLOTCBSA-N -1 3 384.444 0.215 20 0 GCADHM CCN1C[C@H](C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571242492 953256699 /nfs/dbraw/zinc/25/66/99/953256699.db2.gz HUUHPNSQWFCUDB-ACJLOTCBSA-N -1 3 384.444 0.215 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001571242507 953257082 /nfs/dbraw/zinc/25/70/82/953257082.db2.gz IAWCFVIVBWXLQZ-STQMWFEESA-N -1 3 384.444 0.215 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001571242507 953257084 /nfs/dbraw/zinc/25/70/84/953257084.db2.gz IAWCFVIVBWXLQZ-STQMWFEESA-N -1 3 384.444 0.215 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001571242468 953257271 /nfs/dbraw/zinc/25/72/71/953257271.db2.gz HDFQLNHTSRATBD-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001571242468 953257274 /nfs/dbraw/zinc/25/72/74/953257274.db2.gz HDFQLNHTSRATBD-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM CCN1C[C@H](C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571242493 953257366 /nfs/dbraw/zinc/25/73/66/953257366.db2.gz HUUHPNSQWFCUDB-FZKQIMNGSA-N -1 3 384.444 0.215 20 0 GCADHM CCN1C[C@H](C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571242493 953257369 /nfs/dbraw/zinc/25/73/69/953257369.db2.gz HUUHPNSQWFCUDB-FZKQIMNGSA-N -1 3 384.444 0.215 20 0 GCADHM CN1CC[C@H](C(=O)N2CCC(Nc3ncccc3-c3nnn[n-]3)CC2)CC1=O ZINC001571242588 953257858 /nfs/dbraw/zinc/25/78/58/953257858.db2.gz JPHRHSZCSVLKOB-LBPRGKRZSA-N -1 3 384.444 0.533 20 0 GCADHM CN1CC[C@H](C(=O)N2CCC(Nc3ncccc3-c3nn[n-]n3)CC2)CC1=O ZINC001571242588 953257859 /nfs/dbraw/zinc/25/78/59/953257859.db2.gz JPHRHSZCSVLKOB-LBPRGKRZSA-N -1 3 384.444 0.533 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571242607 953257886 /nfs/dbraw/zinc/25/78/86/953257886.db2.gz KBXNPENUGHDANC-XIKOKIGWSA-N -1 3 384.444 0.579 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571242607 953257888 /nfs/dbraw/zinc/25/78/88/953257888.db2.gz KBXNPENUGHDANC-XIKOKIGWSA-N -1 3 384.444 0.579 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001571242668 953258982 /nfs/dbraw/zinc/25/89/82/953258982.db2.gz LGDKDAYTYHCQQE-CHWSQXEVSA-N -1 3 384.444 0.167 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001571242668 953258984 /nfs/dbraw/zinc/25/89/84/953258984.db2.gz LGDKDAYTYHCQQE-CHWSQXEVSA-N -1 3 384.444 0.167 20 0 GCADHM CN(C(=O)[C@@H]1CCNC(=O)CC1)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242765 953259123 /nfs/dbraw/zinc/25/91/23/953259123.db2.gz NKWPYTIPEBSLTL-XGNXJENSSA-N -1 3 384.444 0.579 20 0 GCADHM CN(C(=O)[C@@H]1CCNC(=O)CC1)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242765 953259128 /nfs/dbraw/zinc/25/91/28/953259128.db2.gz NKWPYTIPEBSLTL-XGNXJENSSA-N -1 3 384.444 0.579 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571242771 953259330 /nfs/dbraw/zinc/25/93/30/953259330.db2.gz NQBKSUZAWHCSDF-HNNXBMFYSA-N -1 3 384.444 0.311 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571242771 953259335 /nfs/dbraw/zinc/25/93/35/953259335.db2.gz NQBKSUZAWHCSDF-HNNXBMFYSA-N -1 3 384.444 0.311 20 0 GCADHM CN(C(=O)[C@@]1(C)CCNC(=O)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571242747 953259464 /nfs/dbraw/zinc/25/94/64/953259464.db2.gz NEGFDVWPBACIJX-UGSOOPFHSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C(=O)[C@@]1(C)CCNC(=O)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571242747 953259465 /nfs/dbraw/zinc/25/94/65/953259465.db2.gz NEGFDVWPBACIJX-UGSOOPFHSA-N -1 3 384.444 0.215 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571242772 953259779 /nfs/dbraw/zinc/25/97/79/953259779.db2.gz NQBKSUZAWHCSDF-OAHLLOKOSA-N -1 3 384.444 0.311 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571242772 953259781 /nfs/dbraw/zinc/25/97/81/953259781.db2.gz NQBKSUZAWHCSDF-OAHLLOKOSA-N -1 3 384.444 0.311 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)CCN1c1ncccc1-c1nnn[n-]1 ZINC001571242790 953259906 /nfs/dbraw/zinc/25/99/06/953259906.db2.gz OAUBSPDTZZUUTE-XBFCOCLRSA-N -1 3 384.444 0.356 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC(=O)N2C)CCN1c1ncccc1-c1nn[n-]n1 ZINC001571242790 953259911 /nfs/dbraw/zinc/25/99/11/953259911.db2.gz OAUBSPDTZZUUTE-XBFCOCLRSA-N -1 3 384.444 0.356 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)cn1)C1CCN(C(=O)CN2CCCC2=O)CC1 ZINC001571242821 953260208 /nfs/dbraw/zinc/26/02/08/953260208.db2.gz OVPBUBCUMVJECK-UHFFFAOYSA-N -1 3 384.444 0.311 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)C1CCN(C(=O)CN2CCCC2=O)CC1 ZINC001571242821 953260209 /nfs/dbraw/zinc/26/02/09/953260209.db2.gz OVPBUBCUMVJECK-UHFFFAOYSA-N -1 3 384.444 0.311 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571242915 953260912 /nfs/dbraw/zinc/26/09/12/953260912.db2.gz QXRCIARLMHCBSQ-UKRRQHHQSA-N -1 3 384.444 0.594 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571242915 953260913 /nfs/dbraw/zinc/26/09/13/953260913.db2.gz QXRCIARLMHCBSQ-UKRRQHHQSA-N -1 3 384.444 0.594 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)C1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC001571242969 953261853 /nfs/dbraw/zinc/26/18/53/953261853.db2.gz SCMZBUIVGGCWTG-LBPRGKRZSA-N -1 3 384.444 0.167 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)C1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1 ZINC001571242969 953261857 /nfs/dbraw/zinc/26/18/57/953261857.db2.gz SCMZBUIVGGCWTG-LBPRGKRZSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571243015 953262022 /nfs/dbraw/zinc/26/20/22/953262022.db2.gz TYMIWFQDYJGXRV-UKRRQHHQSA-N -1 3 384.444 0.594 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571243015 953262024 /nfs/dbraw/zinc/26/20/24/953262024.db2.gz TYMIWFQDYJGXRV-UKRRQHHQSA-N -1 3 384.444 0.594 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571242952 953262090 /nfs/dbraw/zinc/26/20/90/953262090.db2.gz RVFKCQRFIDHRCW-CQSZACIVSA-N -1 3 384.444 0.358 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571242952 953262092 /nfs/dbraw/zinc/26/20/92/953262092.db2.gz RVFKCQRFIDHRCW-CQSZACIVSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001571243030 953262715 /nfs/dbraw/zinc/26/27/15/953262715.db2.gz UIPBHZSRARHZET-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001571243030 953262717 /nfs/dbraw/zinc/26/27/17/953262717.db2.gz UIPBHZSRARHZET-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM CCn1cc(CN2CCCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001571244948 953269004 /nfs/dbraw/zinc/26/90/04/953269004.db2.gz AUCMTZJESPBBQE-ZDUSSCGKSA-N -1 3 384.448 0.591 20 0 GCADHM CCn1cc(CN2CCCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001571244948 953269008 /nfs/dbraw/zinc/26/90/08/953269008.db2.gz AUCMTZJESPBBQE-ZDUSSCGKSA-N -1 3 384.448 0.591 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571245098 953269742 /nfs/dbraw/zinc/26/97/42/953269742.db2.gz DMAJWJZHWCXHAD-LBPRGKRZSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571245098 953269744 /nfs/dbraw/zinc/26/97/44/953269744.db2.gz DMAJWJZHWCXHAD-LBPRGKRZSA-N -1 3 384.448 0.762 20 0 GCADHM CCn1ncnc1CN1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001571245029 953270183 /nfs/dbraw/zinc/27/01/83/953270183.db2.gz CQWHRKPXQPFXST-ZDUSSCGKSA-N -1 3 384.448 0.447 20 0 GCADHM CCn1ncnc1CN1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001571245029 953270184 /nfs/dbraw/zinc/27/01/84/953270184.db2.gz CQWHRKPXQPFXST-ZDUSSCGKSA-N -1 3 384.448 0.447 20 0 GCADHM CCn1nc(C)c(CN2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571245215 953271426 /nfs/dbraw/zinc/27/14/26/953271426.db2.gz FJKCBPXORURDJV-JTQLQIEISA-N -1 3 384.448 0.365 20 0 GCADHM CCn1nc(C)c(CN2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571245215 953271430 /nfs/dbraw/zinc/27/14/30/953271430.db2.gz FJKCBPXORURDJV-JTQLQIEISA-N -1 3 384.448 0.365 20 0 GCADHM CCn1nc(C)c(CN2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571245216 953271785 /nfs/dbraw/zinc/27/17/85/953271785.db2.gz FJKCBPXORURDJV-SNVBAGLBSA-N -1 3 384.448 0.365 20 0 GCADHM CCn1nc(C)c(CN2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571245216 953271789 /nfs/dbraw/zinc/27/17/89/953271789.db2.gz FJKCBPXORURDJV-SNVBAGLBSA-N -1 3 384.448 0.365 20 0 GCADHM CCCn1ncnc1CN1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571245390 953273240 /nfs/dbraw/zinc/27/32/40/953273240.db2.gz HJDTWQBJALDZMW-UHFFFAOYSA-N -1 3 384.448 0.591 20 0 GCADHM CCCn1ncnc1CN1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571245390 953273245 /nfs/dbraw/zinc/27/32/45/953273245.db2.gz HJDTWQBJALDZMW-UHFFFAOYSA-N -1 3 384.448 0.591 20 0 GCADHM Cn1cc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C(C)(C)C2)nn1 ZINC001571245480 953273770 /nfs/dbraw/zinc/27/37/70/953273770.db2.gz JGCBKHDPBCAEME-AWEZNQCLSA-N -1 3 384.448 0.354 20 0 GCADHM Cn1cc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C(C)(C)C2)nn1 ZINC001571245480 953273772 /nfs/dbraw/zinc/27/37/72/953273772.db2.gz JGCBKHDPBCAEME-AWEZNQCLSA-N -1 3 384.448 0.354 20 0 GCADHM Cn1ncc(CN2CCCCC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571245789 953277263 /nfs/dbraw/zinc/27/72/63/953277263.db2.gz MTOMSECZLILOGT-AWEZNQCLSA-N -1 3 384.448 0.498 20 0 GCADHM Cn1ncc(CN2CCCCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571245789 953277265 /nfs/dbraw/zinc/27/72/65/953277265.db2.gz MTOMSECZLILOGT-AWEZNQCLSA-N -1 3 384.448 0.498 20 0 GCADHM CCCn1ncnc1CN(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571246327 953282433 /nfs/dbraw/zinc/28/24/33/953282433.db2.gz YGCFACVSVLLTMS-CYBMUJFWSA-N -1 3 384.448 0.543 20 0 GCADHM CCCn1ncnc1CN(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571246327 953282438 /nfs/dbraw/zinc/28/24/38/953282438.db2.gz YGCFACVSVLLTMS-CYBMUJFWSA-N -1 3 384.448 0.543 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]2C)ccc1-c1nnn[n-]1 ZINC001571247665 953284257 /nfs/dbraw/zinc/28/42/57/953284257.db2.gz BGOSQJADFPXACU-SCDSUCTJSA-N -1 3 384.444 0.498 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)C[C@@H]3CCC(=O)N3)C[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571247665 953284260 /nfs/dbraw/zinc/28/42/60/953284260.db2.gz BGOSQJADFPXACU-SCDSUCTJSA-N -1 3 384.444 0.498 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001571248096 953289887 /nfs/dbraw/zinc/28/98/87/953289887.db2.gz DQCPPIXEJDBRNU-LLVKDONJSA-N -1 3 384.448 0.615 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571248544 953294044 /nfs/dbraw/zinc/29/40/44/953294044.db2.gz GEQCHCHZQPEYCQ-STQMWFEESA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571248544 953294049 /nfs/dbraw/zinc/29/40/49/953294049.db2.gz GEQCHCHZQPEYCQ-STQMWFEESA-N -1 3 384.444 0.581 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)n1 ZINC001571248548 953294393 /nfs/dbraw/zinc/29/43/93/953294393.db2.gz GIAQXUBUIAAGOY-TZMCWYRMSA-N -1 3 384.444 0.642 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)n1 ZINC001571248548 953294396 /nfs/dbraw/zinc/29/43/96/953294396.db2.gz GIAQXUBUIAAGOY-TZMCWYRMSA-N -1 3 384.444 0.642 20 0 GCADHM Cc1nc(N[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2(C)C)ccc1-c1nnn[n-]1 ZINC001571248798 953297904 /nfs/dbraw/zinc/29/79/04/953297904.db2.gz ISLCACHJXOMVGB-AGIUHOORSA-N -1 3 384.444 0.340 20 0 GCADHM Cc1nc(N[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2(C)C)ccc1-c1nn[n-]n1 ZINC001571248798 953297906 /nfs/dbraw/zinc/29/79/06/953297906.db2.gz ISLCACHJXOMVGB-AGIUHOORSA-N -1 3 384.444 0.340 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571248930 953298789 /nfs/dbraw/zinc/29/87/89/953298789.db2.gz MDPKBRJNEIWKDR-STQMWFEESA-N -1 3 384.444 0.438 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571248930 953298792 /nfs/dbraw/zinc/29/87/92/953298792.db2.gz MDPKBRJNEIWKDR-STQMWFEESA-N -1 3 384.444 0.438 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571248928 953298824 /nfs/dbraw/zinc/29/88/24/953298824.db2.gz MDPKBRJNEIWKDR-OLZOCXBDSA-N -1 3 384.444 0.438 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571248928 953298827 /nfs/dbraw/zinc/29/88/27/953298827.db2.gz MDPKBRJNEIWKDR-OLZOCXBDSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1)[C@H]1CCNC(=O)CC1 ZINC001571248975 953299461 /nfs/dbraw/zinc/29/94/61/953299461.db2.gz NEQBXULWAUBEGG-JHJVBQTASA-N -1 3 384.444 0.485 20 0 GCADHM O=C(N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1)[C@H]1CCNC(=O)CC1 ZINC001571248975 953299463 /nfs/dbraw/zinc/29/94/63/953299463.db2.gz NEQBXULWAUBEGG-JHJVBQTASA-N -1 3 384.444 0.485 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571249153 953301105 /nfs/dbraw/zinc/30/11/05/953301105.db2.gz DYHVHNYLTUBAJI-SNVBAGLBSA-N -1 3 384.487 0.006 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001571249153 953301109 /nfs/dbraw/zinc/30/11/09/953301109.db2.gz DYHVHNYLTUBAJI-SNVBAGLBSA-N -1 3 384.487 0.006 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571249444 953305938 /nfs/dbraw/zinc/30/59/38/953305938.db2.gz PXSBRJBRVLTSHD-GXTWGEPZSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)n1 ZINC001571249444 953305943 /nfs/dbraw/zinc/30/59/43/953305943.db2.gz PXSBRJBRVLTSHD-GXTWGEPZSA-N -1 3 384.444 0.181 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571250408 953311143 /nfs/dbraw/zinc/31/11/43/953311143.db2.gz RHPQOPVCEYKOTJ-JHJVBQTASA-N -1 3 384.444 0.770 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571250408 953311148 /nfs/dbraw/zinc/31/11/48/953311148.db2.gz RHPQOPVCEYKOTJ-JHJVBQTASA-N -1 3 384.444 0.770 20 0 GCADHM Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC(=O)N2)ccc1-c1nnn[n-]1 ZINC001571251210 953315942 /nfs/dbraw/zinc/31/59/42/953315942.db2.gz SQVIXOKVKRMMMB-MGPQQGTHSA-N -1 3 384.444 0.688 20 0 GCADHM Cc1nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CCC(=O)N2)ccc1-c1nn[n-]n1 ZINC001571251210 953315947 /nfs/dbraw/zinc/31/59/47/953315947.db2.gz SQVIXOKVKRMMMB-MGPQQGTHSA-N -1 3 384.444 0.688 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001571251267 953316357 /nfs/dbraw/zinc/31/63/57/953316357.db2.gz TUFULJLWYPXTRG-TZMCWYRMSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001571251267 953316361 /nfs/dbraw/zinc/31/63/61/953316361.db2.gz TUFULJLWYPXTRG-TZMCWYRMSA-N -1 3 384.444 0.499 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571251304 953316443 /nfs/dbraw/zinc/31/64/43/953316443.db2.gz UCPNKROJRXUAPC-OLZOCXBDSA-N -1 3 384.444 0.406 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571251304 953316446 /nfs/dbraw/zinc/31/64/46/953316446.db2.gz UCPNKROJRXUAPC-OLZOCXBDSA-N -1 3 384.444 0.406 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571251342 953316649 /nfs/dbraw/zinc/31/66/49/953316649.db2.gz UHNCKHCYFPCLRE-MBNYWOFBSA-N -1 3 384.444 0.566 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571251342 953316652 /nfs/dbraw/zinc/31/66/52/953316652.db2.gz UHNCKHCYFPCLRE-MBNYWOFBSA-N -1 3 384.444 0.566 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)n1 ZINC001571251698 953318744 /nfs/dbraw/zinc/31/87/44/953318744.db2.gz ULEBMFCQVKVNHT-OLZOCXBDSA-N -1 3 384.444 0.324 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)n1 ZINC001571251698 953318750 /nfs/dbraw/zinc/31/87/50/953318750.db2.gz ULEBMFCQVKVNHT-OLZOCXBDSA-N -1 3 384.444 0.324 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCNC(=O)CC1 ZINC001571252135 953323846 /nfs/dbraw/zinc/32/38/46/953323846.db2.gz XGSPYGUQCHNRNL-CHWSQXEVSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCNC(=O)CC1 ZINC001571252135 953323851 /nfs/dbraw/zinc/32/38/51/953323851.db2.gz XGSPYGUQCHNRNL-CHWSQXEVSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(CN1CCCC1=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571252235 953324801 /nfs/dbraw/zinc/32/48/01/953324801.db2.gz ZIXQEEHKXSVHMC-ZIAGYGMSSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(CN1CCCC1=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571252235 953324805 /nfs/dbraw/zinc/32/48/05/953324805.db2.gz ZIXQEEHKXSVHMC-ZIAGYGMSSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(CN1CCCCC1=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571252189 953325023 /nfs/dbraw/zinc/32/50/23/953325023.db2.gz YGIUPGCELYBKJM-AWEZNQCLSA-N -1 3 384.444 0.677 20 0 GCADHM O=C(CN1CCCCC1=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571252189 953325027 /nfs/dbraw/zinc/32/50/27/953325027.db2.gz YGIUPGCELYBKJM-AWEZNQCLSA-N -1 3 384.444 0.677 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncn2C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571253974 953335952 /nfs/dbraw/zinc/33/59/52/953335952.db2.gz CHWOTNRRQYUPKJ-GXFFZTMASA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncn2C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571253974 953335955 /nfs/dbraw/zinc/33/59/55/953335955.db2.gz CHWOTNRRQYUPKJ-GXFFZTMASA-N -1 3 385.407 0.922 20 0 GCADHM COc1coc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1=O ZINC001571255020 953343870 /nfs/dbraw/zinc/34/38/70/953343870.db2.gz FFMXHVXOWRPSKX-UHFFFAOYSA-N -1 3 385.384 0.115 20 0 GCADHM COc1coc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1=O ZINC001571255020 953343874 /nfs/dbraw/zinc/34/38/74/953343874.db2.gz FFMXHVXOWRPSKX-UHFFFAOYSA-N -1 3 385.384 0.115 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1cnon1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571254965 953344566 /nfs/dbraw/zinc/34/45/66/953344566.db2.gz DGKSDEWQUMGDKP-JTQLQIEISA-N -1 3 385.388 0.345 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1cnon1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571254965 953344572 /nfs/dbraw/zinc/34/45/72/953344572.db2.gz DGKSDEWQUMGDKP-JTQLQIEISA-N -1 3 385.388 0.345 20 0 GCADHM Cc1cc(F)ccc1CN1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001571255246 953347388 /nfs/dbraw/zinc/34/73/88/953347388.db2.gz NJDUQKSNMWQVJJ-CVEARBPZSA-N -1 3 385.403 0.617 20 0 GCADHM Cc1cc(F)ccc1CN1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001571255246 953347390 /nfs/dbraw/zinc/34/73/90/953347390.db2.gz NJDUQKSNMWQVJJ-CVEARBPZSA-N -1 3 385.403 0.617 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1C[C@H](CO)[C@H](O)C1 ZINC001571255331 953347513 /nfs/dbraw/zinc/34/75/13/953347513.db2.gz IBRZHVCVNSPOSP-UKRRQHHQSA-N -1 3 385.380 0.464 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1C[C@H](CO)[C@H](O)C1 ZINC001571255331 953347519 /nfs/dbraw/zinc/34/75/19/953347519.db2.gz IBRZHVCVNSPOSP-UKRRQHHQSA-N -1 3 385.380 0.464 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)co1 ZINC001571255573 953351165 /nfs/dbraw/zinc/35/11/65/953351165.db2.gz JPKQHQGRRJBYCO-JSGCOSHPSA-N -1 3 385.384 0.102 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)co1 ZINC001571255573 953351168 /nfs/dbraw/zinc/35/11/68/953351168.db2.gz JPKQHQGRRJBYCO-JSGCOSHPSA-N -1 3 385.384 0.102 20 0 GCADHM O=C(CN1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)Nc1ccon1 ZINC001571255666 953352939 /nfs/dbraw/zinc/35/29/39/953352939.db2.gz LADDLBFOJSEGRT-JTQLQIEISA-N -1 3 385.388 0.016 20 0 GCADHM O=C(CN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)Nc1ccon1 ZINC001571255666 953352944 /nfs/dbraw/zinc/35/29/44/953352944.db2.gz LADDLBFOJSEGRT-JTQLQIEISA-N -1 3 385.388 0.016 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[C@H](c2noc(C)n2)C1 ZINC001571255992 953359818 /nfs/dbraw/zinc/35/98/18/953359818.db2.gz NSZGOOYDBXWVGR-LBPRGKRZSA-N -1 3 385.384 0.962 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@H](c2noc(C)n2)C1 ZINC001571255992 953359823 /nfs/dbraw/zinc/35/98/23/953359823.db2.gz NSZGOOYDBXWVGR-LBPRGKRZSA-N -1 3 385.384 0.962 20 0 GCADHM Cc1coc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H](O)C2)c1 ZINC001571256014 953362157 /nfs/dbraw/zinc/36/21/57/953362157.db2.gz OFZQLXXAVGTUCJ-GXFFZTMASA-N -1 3 385.384 0.102 20 0 GCADHM Cc1coc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H](O)C2)c1 ZINC001571256014 953362166 /nfs/dbraw/zinc/36/21/66/953362166.db2.gz OFZQLXXAVGTUCJ-GXFFZTMASA-N -1 3 385.384 0.102 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)[C@@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CN1C1CC1 ZINC001589291959 953611352 /nfs/dbraw/zinc/61/13/52/953611352.db2.gz ATJLGFIIONSLLO-VLXJIEOASA-N -1 3 397.472 0.819 20 0 GCADHM CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NC2CCN(CC(=O)[O-])CC2)cn1 ZINC001593665117 953828287 /nfs/dbraw/zinc/82/82/87/953828287.db2.gz JNWBGMKRRLOEMJ-QZXCRCNTSA-N -1 3 397.501 0.267 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O ZINC001593697534 954085108 /nfs/dbraw/zinc/08/51/08/954085108.db2.gz RDLNGXSKDCKEKD-CYBMUJFWSA-N -1 3 385.461 0.042 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1 ZINC001593698690 954088707 /nfs/dbraw/zinc/08/87/07/954088707.db2.gz CTROIRHZQOSULV-UHFFFAOYSA-N -1 3 397.476 0.886 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001593699080 954093692 /nfs/dbraw/zinc/09/36/92/954093692.db2.gz DBENERGJTHLKAB-GOSISDBHSA-N -1 3 387.477 0.613 20 0 GCADHM CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593700464 954108654 /nfs/dbraw/zinc/10/86/54/954108654.db2.gz VORJLDSNJWLYGU-ZDUSSCGKSA-N -1 3 385.461 0.042 20 0 GCADHM Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N(CCC(=O)[O-])C2CCOCC2)cn1 ZINC001593773953 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530405924 /nfs/dbraw/zinc/40/59/24/530405924.db2.gz ZOHKHUXJXLVDAP-SNVBAGLBSA-N -1 3 380.392 0.719 20 0 GCADHM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000032442465 530406046 /nfs/dbraw/zinc/40/60/46/530406046.db2.gz DNKIQHLYFROPFT-UHFFFAOYSA-N -1 3 384.501 0.485 20 0 GCADHM CC(C)[C@H](NC(=O)NCC[N-]S(=O)(=O)c1cccs1)c1nncn1C ZINC000287148329 530406566 /nfs/dbraw/zinc/40/65/66/530406566.db2.gz YNAMFVVUHCZCHO-LBPRGKRZSA-N -1 3 386.503 0.851 20 0 GCADHM C[N-]S(=O)(=O)c1cc(NC(=O)NC[C@@H](O)C2CCOCC2)ccc1F ZINC000287182463 530406928 /nfs/dbraw/zinc/40/69/28/530406928.db2.gz KFCNDFZNFXDBCD-CYBMUJFWSA-N -1 3 375.422 0.643 20 0 GCADHM Cc1nc(S(=O)(=O)[N-]C2(c3nnc[nH]3)CCC2)c(Br)n1C ZINC000287273606 530407080 /nfs/dbraw/zinc/40/70/80/530407080.db2.gz IIJWZPCBSWPDOS-UHFFFAOYSA-N -1 3 375.252 0.967 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000366648990 530407857 /nfs/dbraw/zinc/40/78/57/530407857.db2.gz BSAFSUWUEJJFBF-JTQLQIEISA-N -1 3 392.275 0.988 20 0 GCADHM 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Cc1ccc([C@H](C)NC(=O)C[N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000289582185 530426197 /nfs/dbraw/zinc/42/61/97/530426197.db2.gz WNEUCEXMJUWJKB-UONOGXRCSA-N -1 3 388.511 0.587 20 0 GCADHM CC(C)(C)OC(=O)NCCNC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000289576362 530426234 /nfs/dbraw/zinc/42/62/34/530426234.db2.gz BEVWETICGGFGSN-UHFFFAOYSA-N -1 3 375.422 0.745 20 0 GCADHM CN1C[C@H](NC(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1=O ZINC000289619621 530426396 /nfs/dbraw/zinc/42/63/96/530426396.db2.gz BBWFTSVUBCNRNL-SECBINFHSA-N -1 3 379.360 0.331 20 0 GCADHM C[C@@H]1C(=O)NCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000290181236 530430764 /nfs/dbraw/zinc/43/07/64/530430764.db2.gz SWYYRIXUMHUWNP-MRVPVSSYSA-N -1 3 380.253 0.619 20 0 GCADHM CCN1C[C@@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1=O ZINC000651856431 530430823 /nfs/dbraw/zinc/43/08/23/530430823.db2.gz DMBJSHOEJXPGJG-SECBINFHSA-N -1 3 384.849 0.667 20 0 GCADHM CCN1C[C@@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1=O ZINC000651856431 530430824 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CSC[C@H](CCO)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000535635425 530580013 /nfs/dbraw/zinc/58/00/13/530580013.db2.gz ATJBTOBSQVLOQN-JTQLQIEISA-N -1 3 382.454 0.863 20 0 GCADHM O=S(=O)([N-]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(C(F)(F)F)s1 ZINC000573460463 530580153 /nfs/dbraw/zinc/58/01/53/530580153.db2.gz UYHYZLXXIIACFZ-SECBINFHSA-N -1 3 379.403 0.595 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000535663602 530580643 /nfs/dbraw/zinc/58/06/43/530580643.db2.gz DDZWFZDTLFGICA-ZCFIWIBFSA-N -1 3 384.133 0.024 20 0 GCADHM C[C@@H]([N-]S(=O)(=O)c1cccc(S(=O)(=O)N2CC(C)(O)C2)c1)C(C)(F)F ZINC000573578603 530581458 /nfs/dbraw/zinc/58/14/58/530581458.db2.gz RWWBIPUTFGPNCK-SNVBAGLBSA-N -1 3 398.453 0.764 20 0 GCADHM CCOC(=O)c1cn(CC[N-]S(=O)(=O)c2cc(C(=O)OC)cs2)cn1 ZINC000451556143 530584128 /nfs/dbraw/zinc/58/41/28/530584128.db2.gz UUBUONMSKWVYPR-UHFFFAOYSA-N -1 3 387.439 0.886 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1(O)CC(OCC)C1 ZINC000451461637 530581828 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GCADHM Cc1noc(CN(C)S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000655672444 530582391 /nfs/dbraw/zinc/58/23/91/530582391.db2.gz VFNWUKJZBUJKSP-UHFFFAOYSA-N -1 3 378.407 0.709 20 0 GCADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000573647484 530582448 /nfs/dbraw/zinc/58/24/48/530582448.db2.gz PIOYDQLYTIQPTB-LLVKDONJSA-N -1 3 387.801 0.051 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCN1CCO[C@@H](C)C1 ZINC000574248673 530588978 /nfs/dbraw/zinc/58/89/78/530588978.db2.gz ZFSLWFVINQGVAH-WDEREUQCSA-N -1 3 376.397 0.511 20 0 GCADHM Cc1cc(NCCNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)n(C)n1 ZINC000574239680 530589103 /nfs/dbraw/zinc/58/91/03/530589103.db2.gz GMPFCTLWEAGODG-UHFFFAOYSA-N -1 3 391.906 0.950 20 0 GCADHM CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000451775194 530589344 /nfs/dbraw/zinc/58/93/44/530589344.db2.gz OIXMOUOXGGSXPE-NOZJJQNGSA-N -1 3 387.849 0.850 20 0 GCADHM CO[C@@H]1COCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000451775194 530589346 /nfs/dbraw/zinc/58/93/46/530589346.db2.gz OIXMOUOXGGSXPE-NOZJJQNGSA-N -1 3 387.849 0.850 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1nn(C)cc1Cl ZINC000451797933 530590331 /nfs/dbraw/zinc/59/03/31/530590331.db2.gz APLISYIIKUHPMT-UHFFFAOYSA-N -1 3 392.890 0.802 20 0 GCADHM NC(=O)[C@]1([N-]S(=O)(=O)CCc2ccccc2Br)CCOC1 ZINC000574339534 530590658 /nfs/dbraw/zinc/59/06/58/530590658.db2.gz SINPUJQSJUDGGT-ZDUSSCGKSA-N -1 3 377.260 0.555 20 0 GCADHM CCN1C[C@@H](NS(=O)(=O)c2ccc([N-]S(=O)(=O)CC)c(F)c2)CC1=O ZINC000451871395 530590930 /nfs/dbraw/zinc/59/09/30/530590930.db2.gz RJTZNTKQSFSXJV-JTQLQIEISA-N -1 3 393.462 0.486 20 0 GCADHM CCN1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CC1=O ZINC000451872767 530590982 /nfs/dbraw/zinc/59/09/82/530590982.db2.gz USEWGLBSJVNVEW-JTQLQIEISA-N -1 3 389.861 0.607 20 0 GCADHM CCN1C[C@H](NS(=O)(=O)c2ccc([N-]S(=O)(=O)CC)c(F)c2)CC1=O ZINC000451871397 530591049 /nfs/dbraw/zinc/59/10/49/530591049.db2.gz RJTZNTKQSFSXJV-SNVBAGLBSA-N -1 3 393.462 0.486 20 0 GCADHM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000536107954 530591243 /nfs/dbraw/zinc/59/12/43/530591243.db2.gz WQKYTPQRXFDGPR-UHFFFAOYSA-N -1 3 380.451 0.949 20 0 GCADHM CC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)[C@H](C)O ZINC000451901637 530592029 /nfs/dbraw/zinc/59/20/29/530592029.db2.gz ZPSYJUZOBCJYSM-STQMWFEESA-N -1 3 376.500 0.909 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451901630 530592261 /nfs/dbraw/zinc/59/22/61/530592261.db2.gz ZPGFXNMTLHBNBC-GRYCIOLGSA-N -1 3 388.408 0.653 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H](CO)c1cccc(F)c1 ZINC000536215954 530592740 /nfs/dbraw/zinc/59/27/40/530592740.db2.gz SGJOKPAKIQOCGH-LLVKDONJSA-N -1 3 386.177 0.700 20 0 GCADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000536603972 530593341 /nfs/dbraw/zinc/59/33/41/530593341.db2.gz OLUJWIQANYIJMW-WCQYABFASA-N -1 3 375.472 0.539 20 0 GCADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000536603973 530593443 /nfs/dbraw/zinc/59/34/43/530593443.db2.gz OLUJWIQANYIJMW-YPMHNXCESA-N -1 3 375.472 0.539 20 0 GCADHM Cc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NCCO)cc2)c(C)cn1 ZINC000574703227 530593800 /nfs/dbraw/zinc/59/38/00/530593800.db2.gz HFUYIVKMRRVLPT-UHFFFAOYSA-N -1 3 385.467 0.192 20 0 GCADHM CCOC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000451945362 530593986 /nfs/dbraw/zinc/59/39/86/530593986.db2.gz IZDUKHHLVWHPBN-NEPJUHHUSA-N -1 3 376.456 0.495 20 0 GCADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](OC)C2)cc1 ZINC000451944519 530594065 /nfs/dbraw/zinc/59/40/65/530594065.db2.gz GDKXKCMBNZBGSF-HUUCEWRRSA-N -1 3 392.499 0.609 20 0 GCADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]C[C@@H]1CS(=O)(=O)CCO1 ZINC000536634421 530594172 /nfs/dbraw/zinc/59/41/72/530594172.db2.gz CNJOWMFNQPBPMM-GFCCVEGCSA-N -1 3 383.875 0.582 20 0 GCADHM CCNC(=O)c1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000053968698 530594757 /nfs/dbraw/zinc/59/47/57/530594757.db2.gz AVFPGTCDSCTPMR-UHFFFAOYSA-N -1 3 395.213 0.688 20 0 GCADHM C[C@H](O)CN(CC(F)F)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000451990454 530595227 /nfs/dbraw/zinc/59/52/27/530595227.db2.gz MBRCMXICIMQBMU-QMMMGPOBSA-N -1 3 390.405 0.834 20 0 GCADHM CN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCC(=O)N(C)C1 ZINC000519481643 530595919 /nfs/dbraw/zinc/59/59/19/530595919.db2.gz TUPFDYZFLFKOLB-SECBINFHSA-N -1 3 379.891 0.759 20 0 GCADHM COC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000536705268 530595993 /nfs/dbraw/zinc/59/59/93/530595993.db2.gz HUIIKTHEPBDAOB-SECBINFHSA-N -1 3 390.405 0.840 20 0 GCADHM CN(C(=O)CC[C@H]1NC(=O)[N-]C1=O)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000613243527 530615179 /nfs/dbraw/zinc/61/51/79/530615179.db2.gz QDYVQARQCPHYII-ZYHUDNBSSA-N -1 3 397.229 0.422 20 0 GCADHM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000452044596 530597688 /nfs/dbraw/zinc/59/76/88/530597688.db2.gz WEAVLRZVSINAJN-ZYHUDNBSSA-N -1 3 378.834 0.286 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](O)C2CCC2)c(OC)c1 ZINC000452055324 530597713 /nfs/dbraw/zinc/59/77/13/530597713.db2.gz UEIYDEGWUIVZGR-CYBMUJFWSA-N -1 3 392.499 0.896 20 0 GCADHM Cc1nc(S(=O)(=O)[N-]CCn2cc(Br)ccc2=O)cn1C ZINC000580517767 530598417 /nfs/dbraw/zinc/59/84/17/530598417.db2.gz KXSCZKIHYQCCAM-UHFFFAOYSA-N -1 3 375.248 0.631 20 0 GCADHM O=C(CN1CN=NC1=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000575238718 530598661 /nfs/dbraw/zinc/59/86/61/530598661.db2.gz RRRDRKKOZFCHRK-UHFFFAOYSA-N -1 3 394.240 0.385 20 0 GCADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CCn2c(=O)oc3ccccc32)s1 ZINC000519696873 530598992 /nfs/dbraw/zinc/59/89/92/530598992.db2.gz XBACYRSOIGJWEZ-UHFFFAOYSA-N -1 3 382.423 0.988 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](CCCO)C1 ZINC000452101044 530599040 /nfs/dbraw/zinc/59/90/40/530599040.db2.gz CXQZMOKYYVPXAU-CYBMUJFWSA-N -1 3 376.500 0.768 20 0 GCADHM CCN1CCN([C@@H](C)C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000527385950 530599285 /nfs/dbraw/zinc/59/92/85/530599285.db2.gz QRFJTGPULQKRCN-ZDUSSCGKSA-N -1 3 388.559 0.689 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NCCN1CCCC1=O ZINC000519707359 530599932 /nfs/dbraw/zinc/59/99/32/530599932.db2.gz MSGIUIWQEVHNJU-UHFFFAOYSA-N -1 3 394.906 0.601 20 0 GCADHM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)o1 ZINC000532096316 530600944 /nfs/dbraw/zinc/60/09/44/530600944.db2.gz HPBTYOAFKDHVBA-VIFPVBQESA-N -1 3 386.455 0.858 20 0 GCADHM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2F)C1 ZINC000629629369 530601292 /nfs/dbraw/zinc/60/12/92/530601292.db2.gz OMYQBZHXIITUCL-XYPYZODXSA-N -1 3 381.451 0.449 20 0 GCADHM O=S(=O)(CCCS(=O)(=O)NC[C@H]1C[C@@H](O)C1)[N-]c1ncccc1F ZINC000629631776 530601564 /nfs/dbraw/zinc/60/15/64/530601564.db2.gz JDQFARGNCXOAGG-PHIMTYICSA-N -1 3 381.451 0.043 20 0 GCADHM Cc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)ccn1 ZINC000580570696 530615431 /nfs/dbraw/zinc/61/54/31/530615431.db2.gz IPBWZBUNDJTCAF-GFCCVEGCSA-N -1 3 385.467 0.272 20 0 GCADHM CN(CC(=O)[O-])[C@@H]1CN(C(=O)Cc2cc(F)ccc2Br)C[C@H]1O ZINC000455778469 530615448 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20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736039283 598823920 /nfs/dbraw/zinc/82/39/20/598823920.db2.gz HYEXYPJQWQLCQB-LBPRGKRZSA-N -1 3 381.458 0.965 20 0 GCADHM CCOC(=O)CN(C)C(=O)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736595798 598825292 /nfs/dbraw/zinc/82/52/92/598825292.db2.gz NCUXHFMTIBHIFB-UHFFFAOYSA-N -1 3 384.400 0.455 20 0 GCADHM CCOC(=O)CN(C)C(=O)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000736595798 598825294 /nfs/dbraw/zinc/82/52/94/598825294.db2.gz NCUXHFMTIBHIFB-UHFFFAOYSA-N -1 3 384.400 0.455 20 0 GCADHM O=Cc1cccc(OCC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000738316532 598827002 /nfs/dbraw/zinc/82/70/02/598827002.db2.gz CZTVGTDQWHXNOR-UHFFFAOYSA-N -1 3 393.407 0.802 20 0 GCADHM O=Cc1cccc(OCC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000738316532 598827003 /nfs/dbraw/zinc/82/70/03/598827003.db2.gz CZTVGTDQWHXNOR-UHFFFAOYSA-N -1 3 393.407 0.802 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735571588 598831283 /nfs/dbraw/zinc/83/12/83/598831283.db2.gz FTFDUYMRHQVSQR-VXGBXAGGSA-N -1 3 380.474 0.236 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735571588 598831285 /nfs/dbraw/zinc/83/12/85/598831285.db2.gz FTFDUYMRHQVSQR-VXGBXAGGSA-N -1 3 380.474 0.236 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736040700 598832294 /nfs/dbraw/zinc/83/22/94/598832294.db2.gz QTWIUNQMMWSCPU-IUODEOHRSA-N -1 3 395.485 0.504 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736039746 598832345 /nfs/dbraw/zinc/83/23/45/598832345.db2.gz LCYZTXSEZOINKG-LLVKDONJSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736039746 598832347 /nfs/dbraw/zinc/83/23/47/598832347.db2.gz LCYZTXSEZOINKG-LLVKDONJSA-N -1 3 378.458 0.703 20 0 GCADHM COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736994506 598836016 /nfs/dbraw/zinc/83/60/16/598836016.db2.gz JIIARTIWESXPPW-UHFFFAOYSA-N -1 3 387.393 0.206 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736655334 598836403 /nfs/dbraw/zinc/83/64/03/598836403.db2.gz BUCJTUSIBACTBZ-SECBINFHSA-N -1 3 391.450 0.450 20 0 GCADHM CC(C)OCCCOC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735896907 598841354 /nfs/dbraw/zinc/84/13/54/598841354.db2.gz ZGEKOMKTEMQFBW-UHFFFAOYSA-N -1 3 383.430 0.503 20 0 GCADHM CC(C)OCCCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735896907 598841356 /nfs/dbraw/zinc/84/13/56/598841356.db2.gz ZGEKOMKTEMQFBW-UHFFFAOYSA-N -1 3 383.430 0.503 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737618907 598845849 /nfs/dbraw/zinc/84/58/49/598845849.db2.gz OTWWAWULYYSFLR-LLVKDONJSA-N -1 3 392.420 0.703 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737618907 598845850 /nfs/dbraw/zinc/84/58/50/598845850.db2.gz OTWWAWULYYSFLR-LLVKDONJSA-N -1 3 392.420 0.703 20 0 GCADHM COC(=O)N[C@@H](C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736936352 598846136 /nfs/dbraw/zinc/84/61/36/598846136.db2.gz PIEUNYQKBRZEQL-CYBMUJFWSA-N -1 3 376.373 0.729 20 0 GCADHM COC(=O)N[C@@H](C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736936352 598846139 /nfs/dbraw/zinc/84/61/39/598846139.db2.gz PIEUNYQKBRZEQL-CYBMUJFWSA-N -1 3 376.373 0.729 20 0 GCADHM COC(=O)N[C@H](C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)C(C)C ZINC000736935218 598846168 /nfs/dbraw/zinc/84/61/68/598846168.db2.gz GMXHKGSGZZZITH-JTQLQIEISA-N -1 3 382.402 0.791 20 0 GCADHM COC(=O)N[C@H](C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)C(C)C ZINC000736935218 598846170 /nfs/dbraw/zinc/84/61/70/598846170.db2.gz GMXHKGSGZZZITH-JTQLQIEISA-N -1 3 382.402 0.791 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)n1C ZINC000737523545 598847147 /nfs/dbraw/zinc/84/71/47/598847147.db2.gz UIEQYSYJGFZYNP-UHFFFAOYSA-N -1 3 397.443 0.027 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)n1C ZINC000737523545 598847148 /nfs/dbraw/zinc/84/71/48/598847148.db2.gz UIEQYSYJGFZYNP-UHFFFAOYSA-N -1 3 397.443 0.027 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737174424 598848413 /nfs/dbraw/zinc/84/84/13/598848413.db2.gz WYGLHAFHTAYEGD-UHFFFAOYSA-N -1 3 391.365 0.659 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)o1 ZINC000737174424 598848414 /nfs/dbraw/zinc/84/84/14/598848414.db2.gz WYGLHAFHTAYEGD-UHFFFAOYSA-N -1 3 391.365 0.659 20 0 GCADHM O=C(COC[C@@H]1CCCO1)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737915214 598848450 /nfs/dbraw/zinc/84/84/50/598848450.db2.gz AENDZSGPWPEPPC-LSDHHAIUSA-N -1 3 387.396 0.711 20 0 GCADHM O=C(COC[C@@H]1CCCO1)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737915214 598848451 /nfs/dbraw/zinc/84/84/51/598848451.db2.gz AENDZSGPWPEPPC-LSDHHAIUSA-N -1 3 387.396 0.711 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCN(C(=O)C2CC2)CC1 ZINC000737522938 598849618 /nfs/dbraw/zinc/84/96/18/598849618.db2.gz FLSWNXUCSAKILM-UHFFFAOYSA-N -1 3 393.455 0.945 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCN(C(=O)C2CC2)CC1 ZINC000737522938 598849620 /nfs/dbraw/zinc/84/96/20/598849620.db2.gz FLSWNXUCSAKILM-UHFFFAOYSA-N -1 3 393.455 0.945 20 0 GCADHM Cc1oc(NC(=O)COC(=O)COC[C@H]2CCCO2)c(-c2nnn[n-]2)c1C ZINC000737553497 598849864 /nfs/dbraw/zinc/84/98/64/598849864.db2.gz XAZAMCBGUOWVJU-LLVKDONJSA-N -1 3 379.373 0.754 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCN1C(=O)CNC1=O ZINC000735905604 598850022 /nfs/dbraw/zinc/85/00/22/598850022.db2.gz LUODRASRRXYGAA-UHFFFAOYSA-N -1 3 388.388 0.327 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCN1C(=O)CNC1=O ZINC000735905604 598850023 /nfs/dbraw/zinc/85/00/23/598850023.db2.gz LUODRASRRXYGAA-UHFFFAOYSA-N -1 3 388.388 0.327 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000737895254 598850415 /nfs/dbraw/zinc/85/04/15/598850415.db2.gz NTDHBNRMJCBXDP-UHFFFAOYSA-N -1 3 393.333 0.931 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000737925610 598850539 /nfs/dbraw/zinc/85/05/39/598850539.db2.gz WCKJDNXJGKXDHB-UHFFFAOYSA-N -1 3 394.317 0.898 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000737925610 598850540 /nfs/dbraw/zinc/85/05/40/598850540.db2.gz WCKJDNXJGKXDHB-UHFFFAOYSA-N -1 3 394.317 0.898 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735572558 598853669 /nfs/dbraw/zinc/85/36/69/598853669.db2.gz XLOSSFAYAIWXFD-UWVGGRQHSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735572558 598853670 /nfs/dbraw/zinc/85/36/70/598853670.db2.gz XLOSSFAYAIWXFD-UWVGGRQHSA-N -1 3 384.437 0.969 20 0 GCADHM CCN(C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000736503374 598854121 /nfs/dbraw/zinc/85/41/21/598854121.db2.gz VRXFRPDKVXYMJW-LLVKDONJSA-N -1 3 394.457 0.477 20 0 GCADHM CCN(C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000736503374 598854122 /nfs/dbraw/zinc/85/41/22/598854122.db2.gz VRXFRPDKVXYMJW-LLVKDONJSA-N -1 3 394.457 0.477 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000737289644 598856201 /nfs/dbraw/zinc/85/62/01/598856201.db2.gz RNYSKGMRBZKRNW-UHFFFAOYSA-N -1 3 399.455 0.878 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000737289644 598856202 /nfs/dbraw/zinc/85/62/02/598856202.db2.gz RNYSKGMRBZKRNW-UHFFFAOYSA-N -1 3 399.455 0.878 20 0 GCADHM CN(C)C(=O)C1(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000736747287 598855763 /nfs/dbraw/zinc/85/57/63/598855763.db2.gz QVXMLUZBGHWWGH-UHFFFAOYSA-N -1 3 385.428 0.570 20 0 GCADHM CN(C)C(=O)C1(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000736747287 598855765 /nfs/dbraw/zinc/85/57/65/598855765.db2.gz QVXMLUZBGHWWGH-UHFFFAOYSA-N -1 3 385.428 0.570 20 0 GCADHM NC(=O)COc1ccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737754485 598858711 /nfs/dbraw/zinc/85/87/11/598858711.db2.gz WIDPLRSKQRYONY-UHFFFAOYSA-N -1 3 382.380 0.426 20 0 GCADHM NC(=O)COc1ccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737754485 598858714 /nfs/dbraw/zinc/85/87/14/598858714.db2.gz WIDPLRSKQRYONY-UHFFFAOYSA-N -1 3 382.380 0.426 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000736902248 598859900 /nfs/dbraw/zinc/85/99/00/598859900.db2.gz SCIJNQCZHLGAPI-OAHLLOKOSA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000736902248 598859902 /nfs/dbraw/zinc/85/99/02/598859902.db2.gz SCIJNQCZHLGAPI-OAHLLOKOSA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000736902256 598859947 /nfs/dbraw/zinc/85/99/47/598859947.db2.gz SEISAMLXHHEEOE-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000736902256 598859948 /nfs/dbraw/zinc/85/99/48/598859948.db2.gz SEISAMLXHHEEOE-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000736901084 598862703 /nfs/dbraw/zinc/86/27/03/598862703.db2.gz IEASYGZMGIHHTI-HOTGVXAUSA-N -1 3 383.412 0.678 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000736901084 598862704 /nfs/dbraw/zinc/86/27/04/598862704.db2.gz IEASYGZMGIHHTI-HOTGVXAUSA-N -1 3 383.412 0.678 20 0 GCADHM C[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000736280715 598862986 /nfs/dbraw/zinc/86/29/86/598862986.db2.gz NYIOUKOUJRCHBP-FZMZJTMJSA-N -1 3 399.411 0.319 20 0 GCADHM C[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000736280715 598862987 /nfs/dbraw/zinc/86/29/87/598862987.db2.gz NYIOUKOUJRCHBP-FZMZJTMJSA-N -1 3 399.411 0.319 20 0 GCADHM CN(CC(F)F)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736787817 598864425 /nfs/dbraw/zinc/86/44/25/598864425.db2.gz FYOBJTNRWVKYFG-NSHDSACASA-N -1 3 393.354 0.795 20 0 GCADHM CN(CC(F)F)C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736787817 598864426 /nfs/dbraw/zinc/86/44/26/598864426.db2.gz FYOBJTNRWVKYFG-NSHDSACASA-N -1 3 393.354 0.795 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)Nc1cnoc1 ZINC000737826752 598864731 /nfs/dbraw/zinc/86/47/31/598864731.db2.gz URBSNACOHFZGJW-LBPRGKRZSA-N -1 3 382.340 0.698 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)Nc1cnoc1 ZINC000737826752 598864733 /nfs/dbraw/zinc/86/47/33/598864733.db2.gz URBSNACOHFZGJW-LBPRGKRZSA-N -1 3 382.340 0.698 20 0 GCADHM CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736592978 598867304 /nfs/dbraw/zinc/86/73/04/598867304.db2.gz GANRNJIESRHBKQ-UHFFFAOYSA-N -1 3 383.405 0.970 20 0 GCADHM CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736592978 598867306 /nfs/dbraw/zinc/86/73/06/598867306.db2.gz GANRNJIESRHBKQ-UHFFFAOYSA-N -1 3 383.405 0.970 20 0 GCADHM CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000736781268 598869085 /nfs/dbraw/zinc/86/90/85/598869085.db2.gz XEZVJQWIVKDZNY-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CN(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000736781268 598869087 /nfs/dbraw/zinc/86/90/87/598869087.db2.gz XEZVJQWIVKDZNY-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1)C1CC1 ZINC000738033064 598869669 /nfs/dbraw/zinc/86/96/69/598869669.db2.gz TWIODGDSPJQORE-UHFFFAOYSA-N -1 3 394.432 0.685 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1)C1CC1 ZINC000738033064 598869672 /nfs/dbraw/zinc/86/96/72/598869672.db2.gz TWIODGDSPJQORE-UHFFFAOYSA-N -1 3 394.432 0.685 20 0 GCADHM CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736599556 598870840 /nfs/dbraw/zinc/87/08/40/598870840.db2.gz BWOAVRYKEDRTLM-NSHDSACASA-N -1 3 398.420 0.905 20 0 GCADHM CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736599556 598870841 /nfs/dbraw/zinc/87/08/41/598870841.db2.gz BWOAVRYKEDRTLM-NSHDSACASA-N -1 3 398.420 0.905 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736480706 598871721 /nfs/dbraw/zinc/87/17/21/598871721.db2.gz LCDSGLZQFUIWOU-LBPRGKRZSA-N -1 3 396.448 0.933 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736480706 598871723 /nfs/dbraw/zinc/87/17/23/598871723.db2.gz LCDSGLZQFUIWOU-LBPRGKRZSA-N -1 3 396.448 0.933 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000735684067 598871745 /nfs/dbraw/zinc/87/17/45/598871745.db2.gz APOCUEMANSLDCR-LBPRGKRZSA-N -1 3 396.448 0.931 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000735684067 598871746 /nfs/dbraw/zinc/87/17/46/598871746.db2.gz APOCUEMANSLDCR-LBPRGKRZSA-N -1 3 396.448 0.931 20 0 GCADHM COc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C(N)=O)c1 ZINC000737110600 598872466 /nfs/dbraw/zinc/87/24/66/598872466.db2.gz AVHDPPMNMQXDJI-UHFFFAOYSA-N -1 3 393.356 0.881 20 0 GCADHM COc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C(N)=O)c1 ZINC000737110600 598872467 /nfs/dbraw/zinc/87/24/67/598872467.db2.gz AVHDPPMNMQXDJI-UHFFFAOYSA-N -1 3 393.356 0.881 20 0 GCADHM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736744857 598873218 /nfs/dbraw/zinc/87/32/18/598873218.db2.gz CTOFQJAJKYVJLL-JTQLQIEISA-N -1 3 386.434 0.158 20 0 GCADHM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736744857 598873219 /nfs/dbraw/zinc/87/32/19/598873219.db2.gz CTOFQJAJKYVJLL-JTQLQIEISA-N -1 3 386.434 0.158 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC1 ZINC000735921605 598875309 /nfs/dbraw/zinc/87/53/09/598875309.db2.gz WWDUCKNPCFJVRV-AWEZNQCLSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC1 ZINC000735921605 598875310 /nfs/dbraw/zinc/87/53/10/598875310.db2.gz WWDUCKNPCFJVRV-AWEZNQCLSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736295080 598875360 /nfs/dbraw/zinc/87/53/60/598875360.db2.gz YHGIWIITQKJJSF-QMMMGPOBSA-N -1 3 391.862 0.328 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736295080 598875361 /nfs/dbraw/zinc/87/53/61/598875361.db2.gz YHGIWIITQKJJSF-QMMMGPOBSA-N -1 3 391.862 0.328 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736910993 598875630 /nfs/dbraw/zinc/87/56/30/598875630.db2.gz ZBQAVAPFQSISQB-ZDUSSCGKSA-N -1 3 377.426 0.831 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736910993 598875631 /nfs/dbraw/zinc/87/56/31/598875631.db2.gz ZBQAVAPFQSISQB-ZDUSSCGKSA-N -1 3 377.426 0.831 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736227337 598875651 /nfs/dbraw/zinc/87/56/51/598875651.db2.gz CCPYLPIRLKIZNL-RKDXNWHRSA-N -1 3 389.434 0.202 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736227337 598875652 /nfs/dbraw/zinc/87/56/52/598875652.db2.gz CCPYLPIRLKIZNL-RKDXNWHRSA-N -1 3 389.434 0.202 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC000737004883 598875943 /nfs/dbraw/zinc/87/59/43/598875943.db2.gz POZPVOJZYBSLCU-NSHDSACASA-N -1 3 384.437 0.347 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC000737004883 598875944 /nfs/dbraw/zinc/87/59/44/598875944.db2.gz POZPVOJZYBSLCU-NSHDSACASA-N -1 3 384.437 0.347 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCN1C(=O)CCC1=O ZINC000736482206 598877013 /nfs/dbraw/zinc/87/70/13/598877013.db2.gz XPRLMLDGYMELCH-UHFFFAOYSA-N -1 3 385.428 0.937 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1C(=O)CCC1=O ZINC000736482206 598877015 /nfs/dbraw/zinc/87/70/15/598877015.db2.gz XPRLMLDGYMELCH-UHFFFAOYSA-N -1 3 385.428 0.937 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)OCC(=O)C1CC1 ZINC000737824192 598878576 /nfs/dbraw/zinc/87/85/76/598878576.db2.gz FMSLQFSEUSVKEY-ZDUSSCGKSA-N -1 3 398.379 0.594 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCC(=O)C1CC1 ZINC000737824192 598878577 /nfs/dbraw/zinc/87/85/77/598878577.db2.gz FMSLQFSEUSVKEY-ZDUSSCGKSA-N -1 3 398.379 0.594 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736910524 598882032 /nfs/dbraw/zinc/88/20/32/598882032.db2.gz WBHXOTOPEANTMV-ZDUSSCGKSA-N -1 3 384.396 0.607 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736910524 598882034 /nfs/dbraw/zinc/88/20/34/598882034.db2.gz WBHXOTOPEANTMV-ZDUSSCGKSA-N -1 3 384.396 0.607 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)O[C@H]1CCOC1 ZINC000737825659 598882038 /nfs/dbraw/zinc/88/20/38/598882038.db2.gz NNDQBBUNMLWFBX-QWHCGFSZSA-N -1 3 386.368 0.404 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)O[C@H]1CCOC1 ZINC000737825659 598882039 /nfs/dbraw/zinc/88/20/39/598882039.db2.gz NNDQBBUNMLWFBX-QWHCGFSZSA-N -1 3 386.368 0.404 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)n1C ZINC000737520886 598887633 /nfs/dbraw/zinc/88/76/33/598887633.db2.gz JSTUFMFQGHKAFZ-UHFFFAOYSA-N -1 3 382.432 0.653 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)n1C ZINC000737520886 598887634 /nfs/dbraw/zinc/88/76/34/598887634.db2.gz JSTUFMFQGHKAFZ-UHFFFAOYSA-N -1 3 382.432 0.653 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1cccs1 ZINC000736143118 598888317 /nfs/dbraw/zinc/88/83/17/598888317.db2.gz REPPIUFBNFNFDF-INIZCTEOSA-N -1 3 388.457 0.942 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1cccs1 ZINC000736143118 598888319 /nfs/dbraw/zinc/88/83/19/598888319.db2.gz REPPIUFBNFNFDF-INIZCTEOSA-N -1 3 388.457 0.942 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1cccs1 ZINC000736143120 598888474 /nfs/dbraw/zinc/88/84/74/598888474.db2.gz REPPIUFBNFNFDF-MRXNPFEDSA-N -1 3 388.457 0.942 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1cccs1 ZINC000736143120 598888475 /nfs/dbraw/zinc/88/84/75/598888475.db2.gz REPPIUFBNFNFDF-MRXNPFEDSA-N -1 3 388.457 0.942 20 0 GCADHM COC(=O)[C@H](C)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736889573 598891116 /nfs/dbraw/zinc/89/11/16/598891116.db2.gz SNTBHNGEFIDOGE-GFCCVEGCSA-N -1 3 398.427 0.732 20 0 GCADHM COC(=O)[C@H](C)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736889573 598891118 /nfs/dbraw/zinc/89/11/18/598891118.db2.gz SNTBHNGEFIDOGE-GFCCVEGCSA-N -1 3 398.427 0.732 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1nc2nccc(C)n2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899437 598894909 /nfs/dbraw/zinc/89/49/09/598894909.db2.gz ABCRVWUJMUGUOB-LBPRGKRZSA-N -1 3 394.351 0.684 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1nc2nccc(C)n2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899437 598894911 /nfs/dbraw/zinc/89/49/11/598894911.db2.gz ABCRVWUJMUGUOB-LBPRGKRZSA-N -1 3 394.351 0.684 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899232 598894966 /nfs/dbraw/zinc/89/49/66/598894966.db2.gz UUUJEBJPYYZHOU-QWHCGFSZSA-N -1 3 388.384 0.415 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899232 598894968 /nfs/dbraw/zinc/89/49/68/598894968.db2.gz UUUJEBJPYYZHOU-QWHCGFSZSA-N -1 3 388.384 0.415 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000735559987 598896200 /nfs/dbraw/zinc/89/62/00/598896200.db2.gz BCKGOJMRCIPXLH-VXGBXAGGSA-N -1 3 393.473 0.194 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000735559987 598896201 /nfs/dbraw/zinc/89/62/01/598896201.db2.gz BCKGOJMRCIPXLH-VXGBXAGGSA-N -1 3 393.473 0.194 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCn1ccccc1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897255 598897624 /nfs/dbraw/zinc/89/76/24/598897624.db2.gz DORJUQPNZVIGHO-INIZCTEOSA-N -1 3 383.364 0.876 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCn1ccccc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897255 598897625 /nfs/dbraw/zinc/89/76/25/598897625.db2.gz DORJUQPNZVIGHO-INIZCTEOSA-N -1 3 383.364 0.876 20 0 GCADHM COC(=O)[C@@H](OC(=O)CS(=O)(=O)CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901016 598898390 /nfs/dbraw/zinc/89/83/90/598898390.db2.gz VYPTWWXUQMKMAM-AWEZNQCLSA-N -1 3 396.425 0.695 20 0 GCADHM COC(=O)[C@@H](OC(=O)CS(=O)(=O)CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901016 598898391 /nfs/dbraw/zinc/89/83/91/598898391.db2.gz VYPTWWXUQMKMAM-AWEZNQCLSA-N -1 3 396.425 0.695 20 0 GCADHM COCCN(CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)CC(=O)OC ZINC000736995728 598899639 /nfs/dbraw/zinc/89/96/39/598899639.db2.gz XOLYUIXKJDOORV-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM COCCN(CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)CC(=O)OC ZINC000736995728 598899640 /nfs/dbraw/zinc/89/96/40/598899640.db2.gz XOLYUIXKJDOORV-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736878003 598900503 /nfs/dbraw/zinc/90/05/03/598900503.db2.gz RJEZLVNSCYBEGG-AWEZNQCLSA-N -1 3 396.363 0.692 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736878003 598900508 /nfs/dbraw/zinc/90/05/08/598900508.db2.gz RJEZLVNSCYBEGG-AWEZNQCLSA-N -1 3 396.363 0.692 20 0 GCADHM COC(=O)[C@H](OC(=O)COC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900500 598900978 /nfs/dbraw/zinc/90/09/78/598900978.db2.gz SBPGWJJZJBKCIQ-DZGCQCFKSA-N -1 3 376.369 0.820 20 0 GCADHM COC(=O)[C@H](OC(=O)COC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900500 598900979 /nfs/dbraw/zinc/90/09/79/598900979.db2.gz SBPGWJJZJBKCIQ-DZGCQCFKSA-N -1 3 376.369 0.820 20 0 GCADHM COC(=O)[C@@H](OC(=O)C1(C(=O)NC2CC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900553 598901097 /nfs/dbraw/zinc/90/10/97/598901097.db2.gz YPDGYEZKMLTDBJ-ZDUSSCGKSA-N -1 3 385.380 0.683 20 0 GCADHM COC(=O)[C@@H](OC(=O)C1(C(=O)NC2CC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900553 598901099 /nfs/dbraw/zinc/90/10/99/598901099.db2.gz YPDGYEZKMLTDBJ-ZDUSSCGKSA-N -1 3 385.380 0.683 20 0 GCADHM COC(=O)[C@@H](OC(=O)COC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900505 598901322 /nfs/dbraw/zinc/90/13/22/598901322.db2.gz SBPGWJJZJBKCIQ-ZFWWWQNUSA-N -1 3 376.369 0.820 20 0 GCADHM COC(=O)[C@@H](OC(=O)COC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900505 598901323 /nfs/dbraw/zinc/90/13/23/598901323.db2.gz SBPGWJJZJBKCIQ-ZFWWWQNUSA-N -1 3 376.369 0.820 20 0 GCADHM COC(=O)[C@@H](OC(=O)COC1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900676 598902004 /nfs/dbraw/zinc/90/20/04/598902004.db2.gz TXSGWBDEZPMVFB-HNNXBMFYSA-N -1 3 376.369 0.820 20 0 GCADHM COC(=O)[C@@H](OC(=O)COC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900676 598902006 /nfs/dbraw/zinc/90/20/06/598902006.db2.gz TXSGWBDEZPMVFB-HNNXBMFYSA-N -1 3 376.369 0.820 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737904791 598902813 /nfs/dbraw/zinc/90/28/13/598902813.db2.gz JNJMBBDFWGHIOU-UHFFFAOYSA-N -1 3 381.352 0.173 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737904791 598902814 /nfs/dbraw/zinc/90/28/14/598902814.db2.gz JNJMBBDFWGHIOU-UHFFFAOYSA-N -1 3 381.352 0.173 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1CC[C@@H](CO)C1 ZINC000736987287 598903178 /nfs/dbraw/zinc/90/31/78/598903178.db2.gz DZWUCZJGBQDJSN-CQSZACIVSA-N -1 3 391.476 0.574 20 0 GCADHM COC[C@@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000736970575 598906799 /nfs/dbraw/zinc/90/67/99/598906799.db2.gz CRHOXYVGZRWAAO-CYBMUJFWSA-N -1 3 386.460 0.908 20 0 GCADHM COC[C@@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000736970575 598906800 /nfs/dbraw/zinc/90/68/00/598906800.db2.gz CRHOXYVGZRWAAO-CYBMUJFWSA-N -1 3 386.460 0.908 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)no1 ZINC000736675896 598908065 /nfs/dbraw/zinc/90/80/65/598908065.db2.gz MTQRCCPFEHBECG-UHFFFAOYSA-N -1 3 397.399 0.099 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)no1 ZINC000736675896 598908067 /nfs/dbraw/zinc/90/80/67/598908067.db2.gz MTQRCCPFEHBECG-UHFFFAOYSA-N -1 3 397.399 0.099 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)c1ccsc1 ZINC000737059880 598908694 /nfs/dbraw/zinc/90/86/94/598908694.db2.gz YCCBUMZZOSZJMC-GFCCVEGCSA-N -1 3 388.409 0.725 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)c1ccsc1 ZINC000737059880 598908696 /nfs/dbraw/zinc/90/86/96/598908696.db2.gz YCCBUMZZOSZJMC-GFCCVEGCSA-N -1 3 388.409 0.725 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000737773925 598909482 /nfs/dbraw/zinc/90/94/82/598909482.db2.gz NRXZVIZKLYODLG-UHFFFAOYSA-N -1 3 398.305 0.839 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000737773925 598909483 /nfs/dbraw/zinc/90/94/83/598909483.db2.gz NRXZVIZKLYODLG-UHFFFAOYSA-N -1 3 398.305 0.839 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000738143912 598911062 /nfs/dbraw/zinc/91/10/62/598911062.db2.gz GKLRQQJCRCKCIT-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000738143912 598911064 /nfs/dbraw/zinc/91/10/64/598911064.db2.gz GKLRQQJCRCKCIT-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM Cc1nc(NC(=O)[C@H](C)OC[C@@H]2CCCO2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737479552 598922590 /nfs/dbraw/zinc/92/25/90/598922590.db2.gz BUJDIKXDRCVOSG-NHYWBVRUSA-N -1 3 398.427 0.700 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC000736140762 598922777 /nfs/dbraw/zinc/92/27/77/598922777.db2.gz BMPQNARKANRZIK-GOSISDBHSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC000736140762 598922778 /nfs/dbraw/zinc/92/27/78/598922778.db2.gz BMPQNARKANRZIK-GOSISDBHSA-N -1 3 382.428 0.881 20 0 GCADHM COc1ncc(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737164029 598923792 /nfs/dbraw/zinc/92/37/92/598923792.db2.gz XQDCEDYFJSUZBK-ZDUSSCGKSA-N -1 3 381.352 0.628 20 0 GCADHM COc1ncc(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737164029 598923793 /nfs/dbraw/zinc/92/37/93/598923793.db2.gz XQDCEDYFJSUZBK-ZDUSSCGKSA-N -1 3 381.352 0.628 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736144572 598924321 /nfs/dbraw/zinc/92/43/21/598924321.db2.gz ZXHHYKSIYBMCOT-SFHVURJKSA-N -1 3 384.371 0.968 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736144572 598924322 /nfs/dbraw/zinc/92/43/22/598924322.db2.gz ZXHHYKSIYBMCOT-SFHVURJKSA-N -1 3 384.371 0.968 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736591584 598929714 /nfs/dbraw/zinc/92/97/14/598929714.db2.gz VYSADFYDPWOEQS-LBPRGKRZSA-N -1 3 389.412 0.551 20 0 GCADHM Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)[N-]c1ccc(OCC(N)=O)cc1 ZINC000737300556 598930199 /nfs/dbraw/zinc/93/01/99/598930199.db2.gz AUKQVEUGFURXHE-UHFFFAOYSA-N -1 3 388.409 0.840 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CCN(CCn2cncn2)CC1 ZINC000737802915 598931564 /nfs/dbraw/zinc/93/15/64/598931564.db2.gz YNVCPLJTYLZESV-AATRIKPKSA-N -1 3 379.428 0.316 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CCN(CCn2cncn2)CC1 ZINC000737802915 598931565 /nfs/dbraw/zinc/93/15/65/598931565.db2.gz YNVCPLJTYLZESV-AATRIKPKSA-N -1 3 379.428 0.316 20 0 GCADHM Nc1nccnc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737775665 598933298 /nfs/dbraw/zinc/93/32/98/598933298.db2.gz ABJMIPCXWSANFH-LLVKDONJSA-N -1 3 397.424 0.393 20 0 GCADHM Nc1nccnc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737775665 598933299 /nfs/dbraw/zinc/93/32/99/598933299.db2.gz ABJMIPCXWSANFH-LLVKDONJSA-N -1 3 397.424 0.393 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000736880888 598941383 /nfs/dbraw/zinc/94/13/83/598941383.db2.gz AJUCJBLIBCGFIZ-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000736880888 598941385 /nfs/dbraw/zinc/94/13/85/598941385.db2.gz AJUCJBLIBCGFIZ-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000736165817 598944493 /nfs/dbraw/zinc/94/44/93/598944493.db2.gz WQHZYXAZKSMJRJ-NWDGAFQWSA-N -1 3 379.442 0.527 20 0 GCADHM CNC(=O)COc1ccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736875296 598945850 /nfs/dbraw/zinc/94/58/50/598945850.db2.gz WBFNOJJSRNKUSK-UHFFFAOYSA-N -1 3 396.407 0.687 20 0 GCADHM CNC(=O)COc1ccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736875296 598945851 /nfs/dbraw/zinc/94/58/51/598945851.db2.gz WBFNOJJSRNKUSK-UHFFFAOYSA-N -1 3 396.407 0.687 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736881319 598953661 /nfs/dbraw/zinc/95/36/61/598953661.db2.gz GAGOCRORZLDRTN-UHFFFAOYSA-N -1 3 379.424 0.997 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC(=O)NCc1ccco1 ZINC000737297744 598949995 /nfs/dbraw/zinc/94/99/95/598949995.db2.gz KSPKBGBHAVWRJG-UHFFFAOYSA-N -1 3 376.398 0.363 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC(=O)NCc1ccco1 ZINC000737297744 598949997 /nfs/dbraw/zinc/94/99/97/598949997.db2.gz KSPKBGBHAVWRJG-UHFFFAOYSA-N -1 3 376.398 0.363 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736911955 598950411 /nfs/dbraw/zinc/95/04/11/598950411.db2.gz NCZJSQMFPFIENY-CYBMUJFWSA-N -1 3 376.442 0.786 20 0 GCADHM C[C@H](O)C[C@H](C)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736146189 598952748 /nfs/dbraw/zinc/95/27/48/598952748.db2.gz YLIZDEUDGRURJX-RYUDHWBXSA-N -1 3 381.458 0.305 20 0 GCADHM C[C@@H](O)C[C@H](C)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736146188 598953073 /nfs/dbraw/zinc/95/30/73/598953073.db2.gz YLIZDEUDGRURJX-NWDGAFQWSA-N -1 3 381.458 0.305 20 0 GCADHM C[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C[C@H](C)O ZINC000736146187 598953092 /nfs/dbraw/zinc/95/30/92/598953092.db2.gz YLIZDEUDGRURJX-NEPJUHHUSA-N -1 3 381.458 0.305 20 0 GCADHM Cc1nc2ncnn2c(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1C ZINC000737489879 598955872 /nfs/dbraw/zinc/95/58/72/598955872.db2.gz NLELYRKUCYFADR-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM Cc1nc2ncnn2c(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1C ZINC000737489879 598955873 /nfs/dbraw/zinc/95/58/73/598955873.db2.gz NLELYRKUCYFADR-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM COCCN1CCC[C@H](NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000737005935 598956201 /nfs/dbraw/zinc/95/62/01/598956201.db2.gz DCAUPMSKGUGEMJ-AWEZNQCLSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000737297379 598958518 /nfs/dbraw/zinc/95/85/18/598958518.db2.gz XBBKYOWFXYNHNB-MNOVXSKESA-N -1 3 387.487 0.617 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000737297379 598958520 /nfs/dbraw/zinc/95/85/20/598958520.db2.gz XBBKYOWFXYNHNB-MNOVXSKESA-N -1 3 387.487 0.617 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736744599 598959657 /nfs/dbraw/zinc/95/96/57/598959657.db2.gz BAMYPHDCXZPOFU-QWHCGFSZSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736744599 598959658 /nfs/dbraw/zinc/95/96/58/598959658.db2.gz BAMYPHDCXZPOFU-QWHCGFSZSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736748891 598959872 /nfs/dbraw/zinc/95/98/72/598959872.db2.gz YVXJSYCNLUOOQF-HUUCEWRRSA-N -1 3 392.485 0.933 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736748891 598959873 /nfs/dbraw/zinc/95/98/73/598959873.db2.gz YVXJSYCNLUOOQF-HUUCEWRRSA-N -1 3 392.485 0.933 20 0 GCADHM CN(C)C(=O)CN1CCC(Nc2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736745731 598966551 /nfs/dbraw/zinc/96/65/51/598966551.db2.gz BDLFSPAOEKZKSI-UHFFFAOYSA-N -1 3 381.444 0.774 20 0 GCADHM COC(=O)c1ccc(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)o1 ZINC000736948950 598968714 /nfs/dbraw/zinc/96/87/14/598968714.db2.gz YWVIVSMNIPGGHC-UHFFFAOYSA-N -1 3 384.352 0.810 20 0 GCADHM COC(=O)c1ccc(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000736948950 598968715 /nfs/dbraw/zinc/96/87/15/598968715.db2.gz YWVIVSMNIPGGHC-UHFFFAOYSA-N -1 3 384.352 0.810 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccc(-c3nnn[n-]3)cc1OC)CC2 ZINC000736706096 598970601 /nfs/dbraw/zinc/97/06/01/598970601.db2.gz QKLVJVYWIGSECE-LBPRGKRZSA-N -1 3 398.427 0.539 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)COc1ccc(-c3nn[n-]n3)cc1OC)CC2 ZINC000736706096 598970602 /nfs/dbraw/zinc/97/06/02/598970602.db2.gz QKLVJVYWIGSECE-LBPRGKRZSA-N -1 3 398.427 0.539 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736328858 598972786 /nfs/dbraw/zinc/97/27/86/598972786.db2.gz IINUEESGQGMIRB-SWLSCSKDSA-N -1 3 388.476 0.937 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736328858 598972789 /nfs/dbraw/zinc/97/27/89/598972789.db2.gz IINUEESGQGMIRB-SWLSCSKDSA-N -1 3 388.476 0.937 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000738073953 598973263 /nfs/dbraw/zinc/97/32/63/598973263.db2.gz DZPAPADABUPUHM-CYBMUJFWSA-N -1 3 382.432 0.986 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000738078135 598973391 /nfs/dbraw/zinc/97/33/91/598973391.db2.gz NJGZDBVWEWXTLL-LBPRGKRZSA-N -1 3 382.432 0.986 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000738078135 598973393 /nfs/dbraw/zinc/97/33/93/598973393.db2.gz NJGZDBVWEWXTLL-LBPRGKRZSA-N -1 3 382.432 0.986 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)CC2 ZINC000736706178 598973500 /nfs/dbraw/zinc/97/35/00/598973500.db2.gz RIVUJPOBNYLBAW-NSHDSACASA-N -1 3 397.447 0.142 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)CC2 ZINC000736706178 598973503 /nfs/dbraw/zinc/97/35/03/598973503.db2.gz RIVUJPOBNYLBAW-NSHDSACASA-N -1 3 397.447 0.142 20 0 GCADHM O=C(NCCn1cccn1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738095238 598974008 /nfs/dbraw/zinc/97/40/08/598974008.db2.gz SQNVROGNIQRZIS-UHFFFAOYSA-N -1 3 381.444 0.985 20 0 GCADHM O=C(NCCn1cccn1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738095238 598974010 /nfs/dbraw/zinc/97/40/10/598974010.db2.gz SQNVROGNIQRZIS-UHFFFAOYSA-N -1 3 381.444 0.985 20 0 GCADHM CC(C)CN1C[C@@H](C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)CC1=O ZINC000735832317 599297916 /nfs/dbraw/zinc/29/79/16/599297916.db2.gz ZNMIQMHBPNYVTP-VIFPVBQESA-N -1 3 376.446 0.612 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737751976 598979608 /nfs/dbraw/zinc/97/96/08/598979608.db2.gz CEHFGLIETIRFJL-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM O=C(CCC1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737824372 598985517 /nfs/dbraw/zinc/98/55/17/598985517.db2.gz QUSVVEJYCGOHFL-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM O=C(CCC1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737824372 598985519 /nfs/dbraw/zinc/98/55/19/598985519.db2.gz QUSVVEJYCGOHFL-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000737221559 598996177 /nfs/dbraw/zinc/99/61/77/598996177.db2.gz OIUOODHFFPIFSA-UHFFFAOYSA-N -1 3 376.442 0.418 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000737221559 598996180 /nfs/dbraw/zinc/99/61/80/598996180.db2.gz OIUOODHFFPIFSA-UHFFFAOYSA-N -1 3 376.442 0.418 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCc1nnc2n1CCCCC2 ZINC000737225806 598996814 /nfs/dbraw/zinc/99/68/14/598996814.db2.gz RZSFZLISPHRRND-UHFFFAOYSA-N -1 3 388.457 0.972 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCc1nnc2n1CCCCC2 ZINC000737225806 598996815 /nfs/dbraw/zinc/99/68/15/598996815.db2.gz RZSFZLISPHRRND-UHFFFAOYSA-N -1 3 388.457 0.972 20 0 GCADHM CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736594158 598997496 /nfs/dbraw/zinc/99/74/96/598997496.db2.gz OGCABGAZFSCGEF-GFCCVEGCSA-N -1 3 397.482 0.844 20 0 GCADHM CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736594158 598997497 /nfs/dbraw/zinc/99/74/97/598997497.db2.gz OGCABGAZFSCGEF-GFCCVEGCSA-N -1 3 397.482 0.844 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000735474523 599001477 /nfs/dbraw/zinc/00/14/77/599001477.db2.gz KIDODJNSORARDV-UHFFFAOYSA-N -1 3 378.458 0.901 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000735474523 599001479 /nfs/dbraw/zinc/00/14/79/599001479.db2.gz KIDODJNSORARDV-UHFFFAOYSA-N -1 3 378.458 0.901 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000737223296 599003657 /nfs/dbraw/zinc/00/36/57/599003657.db2.gz DXWNMVSCVIBJEU-CHWSQXEVSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000737223296 599003660 /nfs/dbraw/zinc/00/36/60/599003660.db2.gz DXWNMVSCVIBJEU-CHWSQXEVSA-N -1 3 380.474 0.563 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736656264 599004237 /nfs/dbraw/zinc/00/42/37/599004237.db2.gz JHQGSUVYMDHHKW-LLVKDONJSA-N -1 3 387.487 0.619 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736656264 599004239 /nfs/dbraw/zinc/00/42/39/599004239.db2.gz JHQGSUVYMDHHKW-LLVKDONJSA-N -1 3 387.487 0.619 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000737221455 599004986 /nfs/dbraw/zinc/00/49/86/599004986.db2.gz MUKURSHRZQNMEJ-GHMZBOCLSA-N -1 3 387.487 0.617 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000737221455 599004989 /nfs/dbraw/zinc/00/49/89/599004989.db2.gz MUKURSHRZQNMEJ-GHMZBOCLSA-N -1 3 387.487 0.617 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000737224387 599005625 /nfs/dbraw/zinc/00/56/25/599005625.db2.gz SYFILXPNPVNPNW-AWEZNQCLSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000737224387 599005627 /nfs/dbraw/zinc/00/56/27/599005627.db2.gz SYFILXPNPVNPNW-AWEZNQCLSA-N -1 3 389.441 0.461 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1=O ZINC000736866030 599006058 /nfs/dbraw/zinc/00/60/58/599006058.db2.gz BJKZSGHNZAZNBD-UHFFFAOYSA-N -1 3 390.347 0.348 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737161866 599010249 /nfs/dbraw/zinc/01/02/49/599010249.db2.gz MZSGLYVPWCJIIZ-MGPQQGTHSA-N -1 3 378.458 0.339 20 0 GCADHM Cn1cc([C@H]2[C@H](C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCC(=O)N2C)cn1 ZINC000265214193 599015070 /nfs/dbraw/zinc/01/50/70/599015070.db2.gz BNMCOMLAAQLHIB-WBVHZDCISA-N -1 3 394.439 0.826 20 0 GCADHM Cn1cc([C@H]2[C@H](C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCC(=O)N2C)cn1 ZINC000265214193 599015072 /nfs/dbraw/zinc/01/50/72/599015072.db2.gz BNMCOMLAAQLHIB-WBVHZDCISA-N -1 3 394.439 0.826 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739182 599011889 /nfs/dbraw/zinc/01/18/89/599011889.db2.gz JDHBOMQKXKXXJR-ZDUSSCGKSA-N -1 3 395.408 0.867 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1-c1ccc(O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739182 599011891 /nfs/dbraw/zinc/01/18/91/599011891.db2.gz JDHBOMQKXKXXJR-ZDUSSCGKSA-N -1 3 395.408 0.867 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1C1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738091 599013403 /nfs/dbraw/zinc/01/34/03/599013403.db2.gz CXYSPPDIGOYZOM-LBPRGKRZSA-N -1 3 387.429 0.523 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738091 599013404 /nfs/dbraw/zinc/01/34/04/599013404.db2.gz CXYSPPDIGOYZOM-LBPRGKRZSA-N -1 3 387.429 0.523 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H](O)C1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900536 599016550 /nfs/dbraw/zinc/01/65/50/599016550.db2.gz YOHGGLKEBGKEOM-UONOGXRCSA-N -1 3 376.369 0.412 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H](O)C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900536 599016552 /nfs/dbraw/zinc/01/65/52/599016552.db2.gz YOHGGLKEBGKEOM-UONOGXRCSA-N -1 3 376.369 0.412 20 0 GCADHM CC(C)CCn1cc(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000735819106 599016853 /nfs/dbraw/zinc/01/68/53/599016853.db2.gz SIWKJMDISCJGTF-UHFFFAOYSA-N -1 3 398.427 0.978 20 0 GCADHM CC(C)CCn1cc(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000735819106 599016856 /nfs/dbraw/zinc/01/68/56/599016856.db2.gz SIWKJMDISCJGTF-UHFFFAOYSA-N -1 3 398.427 0.978 20 0 GCADHM COCCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)CC(=O)N(C)C ZINC000736994115 599019483 /nfs/dbraw/zinc/01/94/83/599019483.db2.gz FMBOBNOCGWTVDH-UHFFFAOYSA-N -1 3 378.433 0.291 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000736637232 599025722 /nfs/dbraw/zinc/02/57/22/599025722.db2.gz UJZGPLRZNVHBSS-QWRGUYRKSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000736637232 599025724 /nfs/dbraw/zinc/02/57/24/599025724.db2.gz UJZGPLRZNVHBSS-QWRGUYRKSA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(C=O)c(OCC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000737083322 599025873 /nfs/dbraw/zinc/02/58/73/599025873.db2.gz QDKVMXSMHKZYCJ-UHFFFAOYSA-N -1 3 397.395 0.690 20 0 GCADHM COc1ccc(C=O)c(OCC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000737083322 599025874 /nfs/dbraw/zinc/02/58/74/599025874.db2.gz QDKVMXSMHKZYCJ-UHFFFAOYSA-N -1 3 397.395 0.690 20 0 GCADHM O=C(NCCCOC[C@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738074872 599026114 /nfs/dbraw/zinc/02/61/14/599026114.db2.gz HJOGWNGFJCQNKS-LLVKDONJSA-N -1 3 392.391 0.504 20 0 GCADHM O=C(NCCCOC[C@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738074872 599026116 /nfs/dbraw/zinc/02/61/16/599026116.db2.gz HJOGWNGFJCQNKS-LLVKDONJSA-N -1 3 392.391 0.504 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738019148 599027320 /nfs/dbraw/zinc/02/73/20/599027320.db2.gz FIKVTKCNOBHSJP-UHFFFAOYSA-N -1 3 383.412 0.322 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738019148 599027321 /nfs/dbraw/zinc/02/73/21/599027321.db2.gz FIKVTKCNOBHSJP-UHFFFAOYSA-N -1 3 383.412 0.322 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)[C@H]1CCCN1Cc1ccccn1 ZINC000738079199 599030548 /nfs/dbraw/zinc/03/05/48/599030548.db2.gz XJIDFRCPVXJSFO-MRXNPFEDSA-N -1 3 393.455 0.849 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)[C@H]1CCCN1Cc1ccccn1 ZINC000738079199 599030550 /nfs/dbraw/zinc/03/05/50/599030550.db2.gz XJIDFRCPVXJSFO-MRXNPFEDSA-N -1 3 393.455 0.849 20 0 GCADHM Cn1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737603950 599032953 /nfs/dbraw/zinc/03/29/53/599032953.db2.gz SXQBPIVRDOHJRB-KRWDZBQOSA-N -1 3 380.368 0.250 20 0 GCADHM Cn1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737603950 599032955 /nfs/dbraw/zinc/03/29/55/599032955.db2.gz SXQBPIVRDOHJRB-KRWDZBQOSA-N -1 3 380.368 0.250 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCOC[C@@H]1CCCO1 ZINC000737023196 599035431 /nfs/dbraw/zinc/03/54/31/599035431.db2.gz HWLVUFPFNRKGFE-ZDUSSCGKSA-N -1 3 377.401 0.566 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCOC[C@@H]1CCCO1 ZINC000737023196 599035435 /nfs/dbraw/zinc/03/54/35/599035435.db2.gz HWLVUFPFNRKGFE-ZDUSSCGKSA-N -1 3 377.401 0.566 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nnn[n-]4)cn3)cn2)C[C@H](C)O1 ZINC000820734063 599035718 /nfs/dbraw/zinc/03/57/18/599035718.db2.gz KVIGIWOWPWYFLO-TXEJJXNPSA-N -1 3 383.416 0.838 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nn[n-]n4)cn3)cn2)C[C@H](C)O1 ZINC000820734063 599035722 /nfs/dbraw/zinc/03/57/22/599035722.db2.gz KVIGIWOWPWYFLO-TXEJJXNPSA-N -1 3 383.416 0.838 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000736592200 599041235 /nfs/dbraw/zinc/04/12/35/599041235.db2.gz ARYULAVXVZGOFT-BXUZGUMPSA-N -1 3 375.385 0.425 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000736592200 599041238 /nfs/dbraw/zinc/04/12/38/599041238.db2.gz ARYULAVXVZGOFT-BXUZGUMPSA-N -1 3 375.385 0.425 20 0 GCADHM CC(C)(C)OC(=O)CSCC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735624836 599040851 /nfs/dbraw/zinc/04/08/51/599040851.db2.gz XBEHGANQOCJZRW-UHFFFAOYSA-N -1 3 393.473 0.865 20 0 GCADHM CC(C)(C)OC(=O)CSCC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735624836 599040854 /nfs/dbraw/zinc/04/08/54/599040854.db2.gz XBEHGANQOCJZRW-UHFFFAOYSA-N -1 3 393.473 0.865 20 0 GCADHM CNS(=O)(=O)c1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000821637316 599048630 /nfs/dbraw/zinc/04/86/30/599048630.db2.gz ARRGIAKRSCRGNN-UHFFFAOYSA-N -1 3 375.414 0.661 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737162951 599052421 /nfs/dbraw/zinc/05/24/21/599052421.db2.gz PYHAAAANMOMJEZ-UHFFFAOYSA-N -1 3 376.402 0.752 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737162951 599052424 /nfs/dbraw/zinc/05/24/24/599052424.db2.gz PYHAAAANMOMJEZ-UHFFFAOYSA-N -1 3 376.402 0.752 20 0 GCADHM CC(C)CNC(=O)N1CCC[C@@H](CC(=O)n2ncc(-c3nnn[n-]3)c2N)C1 ZINC000735835943 599054417 /nfs/dbraw/zinc/05/44/17/599054417.db2.gz SSMMOICDWHPMAY-NSHDSACASA-N -1 3 375.437 0.753 20 0 GCADHM Cc1ccc([C@H](O)CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)o1 ZINC000737319703 599056020 /nfs/dbraw/zinc/05/60/20/599056020.db2.gz IOJABQKWABVMBQ-CQSZACIVSA-N -1 3 394.395 0.999 20 0 GCADHM Cc1ccc([C@H](O)CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)o1 ZINC000737319703 599056022 /nfs/dbraw/zinc/05/60/22/599056022.db2.gz IOJABQKWABVMBQ-CQSZACIVSA-N -1 3 394.395 0.999 20 0 GCADHM Cc1ccc([C@@H](O)CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)o1 ZINC000737319702 599056112 /nfs/dbraw/zinc/05/61/12/599056112.db2.gz IOJABQKWABVMBQ-AWEZNQCLSA-N -1 3 394.395 0.999 20 0 GCADHM Cc1ccc([C@@H](O)CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)o1 ZINC000737319702 599056113 /nfs/dbraw/zinc/05/61/13/599056113.db2.gz IOJABQKWABVMBQ-AWEZNQCLSA-N -1 3 394.395 0.999 20 0 GCADHM NC(=O)[C@@H](OC(=O)CN1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738500 599056748 /nfs/dbraw/zinc/05/67/48/599056748.db2.gz VVVFZKIJUHUEEB-KRWDZBQOSA-N -1 3 378.392 0.999 20 0 GCADHM NC(=O)[C@@H](OC(=O)CN1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738500 599056751 /nfs/dbraw/zinc/05/67/51/599056751.db2.gz VVVFZKIJUHUEEB-KRWDZBQOSA-N -1 3 378.392 0.999 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000737738432 599065929 /nfs/dbraw/zinc/06/59/29/599065929.db2.gz JDZVYUDJUGFDST-OAHLLOKOSA-N -1 3 381.396 0.444 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000737738432 599065932 /nfs/dbraw/zinc/06/59/32/599065932.db2.gz JDZVYUDJUGFDST-OAHLLOKOSA-N -1 3 381.396 0.444 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccccc2O)CC1 ZINC000737739897 599066521 /nfs/dbraw/zinc/06/65/21/599066521.db2.gz RQUKMPDPRKTPPE-QGZVFWFLSA-N -1 3 379.424 0.921 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccccc2O)CC1 ZINC000737739897 599066523 /nfs/dbraw/zinc/06/65/23/599066523.db2.gz RQUKMPDPRKTPPE-QGZVFWFLSA-N -1 3 379.424 0.921 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000737738163 599068970 /nfs/dbraw/zinc/06/89/70/599068970.db2.gz FOCWGMWPJJPZEP-MRXNPFEDSA-N -1 3 383.456 0.728 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000737740658 599069151 /nfs/dbraw/zinc/06/91/51/599069151.db2.gz VAOGYTQGCMZCMZ-OAHLLOKOSA-N -1 3 384.444 0.227 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000737740658 599069156 /nfs/dbraw/zinc/06/91/56/599069156.db2.gz VAOGYTQGCMZCMZ-OAHLLOKOSA-N -1 3 384.444 0.227 20 0 GCADHM Cn1cccc1C(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737614731 599071265 /nfs/dbraw/zinc/07/12/65/599071265.db2.gz YTFNSFQHGMRKIJ-MRXNPFEDSA-N -1 3 394.439 0.190 20 0 GCADHM Cn1cccc1C(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737614731 599071268 /nfs/dbraw/zinc/07/12/68/599071268.db2.gz YTFNSFQHGMRKIJ-MRXNPFEDSA-N -1 3 394.439 0.190 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737435605 599072752 /nfs/dbraw/zinc/07/27/52/599072752.db2.gz AQKSLQJOYLHKDG-MRXNPFEDSA-N -1 3 380.412 0.667 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737435605 599072754 /nfs/dbraw/zinc/07/27/54/599072754.db2.gz AQKSLQJOYLHKDG-MRXNPFEDSA-N -1 3 380.412 0.667 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000737740005 599074119 /nfs/dbraw/zinc/07/41/19/599074119.db2.gz SJXKWFBXKIPGKG-UONOGXRCSA-N -1 3 396.411 0.727 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000737740005 599074122 /nfs/dbraw/zinc/07/41/22/599074122.db2.gz SJXKWFBXKIPGKG-UONOGXRCSA-N -1 3 396.411 0.727 20 0 GCADHM Cc1cnn(C[C@@H]2CN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737443290 599075845 /nfs/dbraw/zinc/07/58/45/599075845.db2.gz IMYNFIFPPAQKBA-HOTGVXAUSA-N -1 3 382.428 0.299 20 0 GCADHM Cc1cnn(C[C@@H]2CN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737443290 599075848 /nfs/dbraw/zinc/07/58/48/599075848.db2.gz IMYNFIFPPAQKBA-HOTGVXAUSA-N -1 3 382.428 0.299 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738338885 599084127 /nfs/dbraw/zinc/08/41/27/599084127.db2.gz OEROVBPXDDWDGL-JTQLQIEISA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738338885 599084129 /nfs/dbraw/zinc/08/41/29/599084129.db2.gz OEROVBPXDDWDGL-JTQLQIEISA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823567631 599084192 /nfs/dbraw/zinc/08/41/92/599084192.db2.gz UNPNNDGQIPDMHD-UHFFFAOYSA-N -1 3 375.414 0.507 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609183 599087403 /nfs/dbraw/zinc/08/74/03/599087403.db2.gz DKTFXBRZQTWVJI-CQSZACIVSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609183 599087405 /nfs/dbraw/zinc/08/74/05/599087405.db2.gz DKTFXBRZQTWVJI-CQSZACIVSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609056 599087814 /nfs/dbraw/zinc/08/78/14/599087814.db2.gz AFVBQEFTQSSZPO-FDMDGMSGSA-N -1 3 392.423 0.925 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609056 599087817 /nfs/dbraw/zinc/08/78/17/599087817.db2.gz AFVBQEFTQSSZPO-FDMDGMSGSA-N -1 3 392.423 0.925 20 0 GCADHM CS(=O)(=O)c1ccc(CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737173696 599091973 /nfs/dbraw/zinc/09/19/73/599091973.db2.gz MDAMRFNBVMHROU-HNNXBMFYSA-N -1 3 386.437 0.586 20 0 GCADHM CS(=O)(=O)c1ccc(CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737173696 599091975 /nfs/dbraw/zinc/09/19/75/599091975.db2.gz MDAMRFNBVMHROU-HNNXBMFYSA-N -1 3 386.437 0.586 20 0 GCADHM C[C@H](N[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1 ZINC000736123819 599093117 /nfs/dbraw/zinc/09/31/17/599093117.db2.gz DYWNWTBLNDVHLJ-LRDDRELGSA-N -1 3 379.424 0.688 20 0 GCADHM C[C@H](N[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1 ZINC000736123819 599093120 /nfs/dbraw/zinc/09/31/20/599093120.db2.gz DYWNWTBLNDVHLJ-LRDDRELGSA-N -1 3 379.424 0.688 20 0 GCADHM CNC(=O)COc1cccc(CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736873188 599093670 /nfs/dbraw/zinc/09/36/70/599093670.db2.gz GYZMYMCVEUBZAB-KRWDZBQOSA-N -1 3 395.423 0.308 20 0 GCADHM CNC(=O)COc1cccc(CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736873188 599093673 /nfs/dbraw/zinc/09/36/73/599093673.db2.gz GYZMYMCVEUBZAB-KRWDZBQOSA-N -1 3 395.423 0.308 20 0 GCADHM NC(=O)[C@H](NCC(=O)NCCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729669 599095768 /nfs/dbraw/zinc/09/57/68/599095768.db2.gz AVKXXDOMIKIRBW-QGZVFWFLSA-N -1 3 379.424 0.342 20 0 GCADHM NC(=O)[C@H](NCC(=O)NCCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729669 599095772 /nfs/dbraw/zinc/09/57/72/599095772.db2.gz AVKXXDOMIKIRBW-QGZVFWFLSA-N -1 3 379.424 0.342 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737732257 599098290 /nfs/dbraw/zinc/09/82/90/599098290.db2.gz XLMHFSGMKBQIGY-HOTGVXAUSA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737732257 599098292 /nfs/dbraw/zinc/09/82/92/599098292.db2.gz XLMHFSGMKBQIGY-HOTGVXAUSA-N -1 3 377.408 0.788 20 0 GCADHM CC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735624062 599098781 /nfs/dbraw/zinc/09/87/81/599098781.db2.gz SPBQLLLEWVEZDD-UHFFFAOYSA-N -1 3 393.473 0.681 20 0 GCADHM CC(C)(C)NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735624062 599098784 /nfs/dbraw/zinc/09/87/84/599098784.db2.gz SPBQLLLEWVEZDD-UHFFFAOYSA-N -1 3 393.473 0.681 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735628490 599099252 /nfs/dbraw/zinc/09/92/52/599099252.db2.gz VHBFNDSNPKVMJR-KBPBESRZSA-N -1 3 387.444 0.992 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H]2CCC[C@H](O)C2)cc1 ZINC000737776625 599100776 /nfs/dbraw/zinc/10/07/76/599100776.db2.gz MYLLNNYNPGTICZ-FZMZJTMJSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H]2CCC[C@H](O)C2)cc1 ZINC000737776625 599100779 /nfs/dbraw/zinc/10/07/79/599100779.db2.gz MYLLNNYNPGTICZ-FZMZJTMJSA-N -1 3 382.428 0.916 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCc2nn(C)c(=O)cc2C1 ZINC000819876984 599101605 /nfs/dbraw/zinc/10/16/05/599101605.db2.gz LUGONRAOAIPAIG-LLVKDONJSA-N -1 3 380.412 0.346 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCc2nn(C)c(=O)cc2C1 ZINC000819876984 599101608 /nfs/dbraw/zinc/10/16/08/599101608.db2.gz LUGONRAOAIPAIG-LLVKDONJSA-N -1 3 380.412 0.346 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCc2nn(C)c(=O)cc2C1 ZINC000819876985 599101771 /nfs/dbraw/zinc/10/17/71/599101771.db2.gz LUGONRAOAIPAIG-NSHDSACASA-N -1 3 380.412 0.346 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCc2nn(C)c(=O)cc2C1 ZINC000819876985 599101773 /nfs/dbraw/zinc/10/17/73/599101773.db2.gz LUGONRAOAIPAIG-NSHDSACASA-N -1 3 380.412 0.346 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)c1cnn(C)c1 ZINC000736119015 599101999 /nfs/dbraw/zinc/10/19/99/599101999.db2.gz MBPCUHGRIMWRMD-SNVBAGLBSA-N -1 3 378.400 0.859 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)c1cnn(C)c1 ZINC000736119015 599102001 /nfs/dbraw/zinc/10/20/01/599102001.db2.gz MBPCUHGRIMWRMD-SNVBAGLBSA-N -1 3 378.400 0.859 20 0 GCADHM Cn1nc2c(cc1=O)CN([C@@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000822704167 599103921 /nfs/dbraw/zinc/10/39/21/599103921.db2.gz IRRCNGCFJPGEBU-MRXNPFEDSA-N -1 3 392.423 0.124 20 0 GCADHM COC[C@@H]1CN(C(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)CCO1 ZINC000736976726 599105346 /nfs/dbraw/zinc/10/53/46/599105346.db2.gz PQVAHINMYOKCMB-AWEZNQCLSA-N -1 3 391.428 0.908 20 0 GCADHM COC[C@@H]1CN(C(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)CCO1 ZINC000736976726 599105350 /nfs/dbraw/zinc/10/53/50/599105350.db2.gz PQVAHINMYOKCMB-AWEZNQCLSA-N -1 3 391.428 0.908 20 0 GCADHM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000736580715 599108225 /nfs/dbraw/zinc/10/82/25/599108225.db2.gz KVRCTTJOAZARLX-UHFFFAOYSA-N -1 3 399.436 0.763 20 0 GCADHM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000736580715 599108228 /nfs/dbraw/zinc/10/82/28/599108228.db2.gz KVRCTTJOAZARLX-UHFFFAOYSA-N -1 3 399.436 0.763 20 0 GCADHM C[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737196602 599108723 /nfs/dbraw/zinc/10/87/23/599108723.db2.gz SVYPKVRVPIGWBD-XHDPSFHLSA-N -1 3 394.391 0.755 20 0 GCADHM C[C@H](NC(=O)c1ccccc1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737196602 599108725 /nfs/dbraw/zinc/10/87/25/599108725.db2.gz SVYPKVRVPIGWBD-XHDPSFHLSA-N -1 3 394.391 0.755 20 0 GCADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736194230 599109014 /nfs/dbraw/zinc/10/90/14/599109014.db2.gz YFRAQBSGCOOERO-MNOVXSKESA-N -1 3 381.483 0.993 20 0 GCADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736194230 599109015 /nfs/dbraw/zinc/10/90/15/599109015.db2.gz YFRAQBSGCOOERO-MNOVXSKESA-N -1 3 381.483 0.993 20 0 GCADHM COC(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000736949521 599114861 /nfs/dbraw/zinc/11/48/61/599114861.db2.gz CBPRDWYRSDFFRI-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740137 599114522 /nfs/dbraw/zinc/11/45/22/599114522.db2.gz MLSBFDSNIGMFNL-HNNXBMFYSA-N -1 3 394.347 0.581 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740137 599114524 /nfs/dbraw/zinc/11/45/24/599114524.db2.gz MLSBFDSNIGMFNL-HNNXBMFYSA-N -1 3 394.347 0.581 20 0 GCADHM Cc1cc(C)n2nc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)nc2n1 ZINC000737255591 599111212 /nfs/dbraw/zinc/11/12/12/599111212.db2.gz AXNNBFQTVAKQAK-LBPRGKRZSA-N -1 3 393.367 0.305 20 0 GCADHM Cc1cc(C)n2nc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)nc2n1 ZINC000737255591 599111214 /nfs/dbraw/zinc/11/12/14/599111214.db2.gz AXNNBFQTVAKQAK-LBPRGKRZSA-N -1 3 393.367 0.305 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737734830 599113421 /nfs/dbraw/zinc/11/34/21/599113421.db2.gz BYGHPJGERBQFNP-OAHLLOKOSA-N -1 3 398.354 0.505 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737734830 599113424 /nfs/dbraw/zinc/11/34/24/599113424.db2.gz BYGHPJGERBQFNP-OAHLLOKOSA-N -1 3 398.354 0.505 20 0 GCADHM COC(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736949521 599114863 /nfs/dbraw/zinc/11/48/63/599114863.db2.gz CBPRDWYRSDFFRI-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000819854080 599117697 /nfs/dbraw/zinc/11/76/97/599117697.db2.gz AIZXYEZIBPPVBI-MWLCHTKSSA-N -1 3 383.405 0.463 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000819854080 599117700 /nfs/dbraw/zinc/11/77/00/599117700.db2.gz AIZXYEZIBPPVBI-MWLCHTKSSA-N -1 3 383.405 0.463 20 0 GCADHM COC(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736949344 599118342 /nfs/dbraw/zinc/11/83/42/599118342.db2.gz BANPEBDNZSIBOU-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736949344 599118344 /nfs/dbraw/zinc/11/83/44/599118344.db2.gz BANPEBDNZSIBOU-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM Cn1ncc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1-n1cccc1 ZINC000737620739 599118447 /nfs/dbraw/zinc/11/84/47/599118447.db2.gz BNQIDZUWPNKZRT-CQSZACIVSA-N -1 3 392.379 0.774 20 0 GCADHM Cn1ncc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1-n1cccc1 ZINC000737620739 599118448 /nfs/dbraw/zinc/11/84/48/599118448.db2.gz BNQIDZUWPNKZRT-CQSZACIVSA-N -1 3 392.379 0.774 20 0 GCADHM CCCCOCCNC(=O)CS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821071454 599118839 /nfs/dbraw/zinc/11/88/39/599118839.db2.gz FNJSLDUGDQKSCI-UHFFFAOYSA-N -1 3 385.421 0.712 20 0 GCADHM CCCCOCCNC(=O)CS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821071454 599118842 /nfs/dbraw/zinc/11/88/42/599118842.db2.gz FNJSLDUGDQKSCI-UHFFFAOYSA-N -1 3 385.421 0.712 20 0 GCADHM CC(=O)Nc1nc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735488846 599119742 /nfs/dbraw/zinc/11/97/42/599119742.db2.gz ODHXBIXADPZIKW-NSHDSACASA-N -1 3 387.381 0.665 20 0 GCADHM CC(=O)Nc1nc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735488846 599119743 /nfs/dbraw/zinc/11/97/43/599119743.db2.gz ODHXBIXADPZIKW-NSHDSACASA-N -1 3 387.381 0.665 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736103604 599120267 /nfs/dbraw/zinc/12/02/67/599120267.db2.gz XISLQGNWDPOMHL-IINYFYTJSA-N -1 3 386.412 0.631 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736103604 599120269 /nfs/dbraw/zinc/12/02/69/599120269.db2.gz XISLQGNWDPOMHL-IINYFYTJSA-N -1 3 386.412 0.631 20 0 GCADHM C[C@H](Sc1ncccn1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193883 599122547 /nfs/dbraw/zinc/12/25/47/599122547.db2.gz VIMHJIWUHIKKCQ-JOYOIKCWSA-N -1 3 385.409 0.907 20 0 GCADHM C[C@H](Sc1ncccn1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193883 599122550 /nfs/dbraw/zinc/12/25/50/599122550.db2.gz VIMHJIWUHIKKCQ-JOYOIKCWSA-N -1 3 385.409 0.907 20 0 GCADHM Cn1c2ccc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cc2[nH]c1=O ZINC000737588051 599122883 /nfs/dbraw/zinc/12/28/83/599122883.db2.gz DWRCIYAIZDQUNQ-AWEZNQCLSA-N -1 3 393.363 0.842 20 0 GCADHM Cn1c2ccc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cc2[nH]c1=O ZINC000737588051 599122885 /nfs/dbraw/zinc/12/28/85/599122885.db2.gz DWRCIYAIZDQUNQ-AWEZNQCLSA-N -1 3 393.363 0.842 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccsc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736333 599123297 /nfs/dbraw/zinc/12/32/97/599123297.db2.gz IDGRKHPCIBGRBQ-ZDUSSCGKSA-N -1 3 386.393 0.428 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccsc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736333 599123299 /nfs/dbraw/zinc/12/32/99/599123299.db2.gz IDGRKHPCIBGRBQ-ZDUSSCGKSA-N -1 3 386.393 0.428 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cc2c(cc1O)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740566 599124241 /nfs/dbraw/zinc/12/42/41/599124241.db2.gz NRLVUWYFWNRJBD-AWEZNQCLSA-N -1 3 383.320 0.684 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cc2c(cc1O)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740566 599124243 /nfs/dbraw/zinc/12/42/43/599124243.db2.gz NRLVUWYFWNRJBD-AWEZNQCLSA-N -1 3 383.320 0.684 20 0 GCADHM C[C@H](OC[C@@H]1CCCCO1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736163925 599125064 /nfs/dbraw/zinc/12/50/64/599125064.db2.gz LJOKXIGQSKWAOK-CQDKDKBSSA-N -1 3 389.412 0.911 20 0 GCADHM C[C@H](OC[C@@H]1CCCCO1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736163925 599125066 /nfs/dbraw/zinc/12/50/66/599125066.db2.gz LJOKXIGQSKWAOK-CQDKDKBSSA-N -1 3 389.412 0.911 20 0 GCADHM COC(=O)N(C)CCCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736932722 599127736 /nfs/dbraw/zinc/12/77/36/599127736.db2.gz RPRJSCJTORLGAR-ZDUSSCGKSA-N -1 3 376.373 0.415 20 0 GCADHM COC(=O)N(C)CCCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736932722 599127738 /nfs/dbraw/zinc/12/77/38/599127738.db2.gz RPRJSCJTORLGAR-ZDUSSCGKSA-N -1 3 376.373 0.415 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CCOCC2CC2)CC1 ZINC000738347662 599132062 /nfs/dbraw/zinc/13/20/62/599132062.db2.gz MHSRFAHBKROYBH-UHFFFAOYSA-N -1 3 392.485 0.600 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CCOCC2CC2)CC1 ZINC000738347662 599132065 /nfs/dbraw/zinc/13/20/65/599132065.db2.gz MHSRFAHBKROYBH-UHFFFAOYSA-N -1 3 392.485 0.600 20 0 GCADHM COCCc1nnc(SCCOc2ccc(-c3nnn[n-]3)cc2OC)n1N ZINC000821694567 599132815 /nfs/dbraw/zinc/13/28/15/599132815.db2.gz SGQLGIXSCOICBD-UHFFFAOYSA-N -1 3 392.445 0.541 20 0 GCADHM COCCc1nnc(SCCOc2ccc(-c3nn[n-]n3)cc2OC)n1N ZINC000821694567 599132816 /nfs/dbraw/zinc/13/28/16/599132816.db2.gz SGQLGIXSCOICBD-UHFFFAOYSA-N -1 3 392.445 0.541 20 0 GCADHM O=C(/C=C/C1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822923008 599135378 /nfs/dbraw/zinc/13/53/78/599135378.db2.gz MKZKGPMUDJXFBQ-FPYGCLRLSA-N -1 3 388.453 0.666 20 0 GCADHM O=C(/C=C/C1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822923008 599135380 /nfs/dbraw/zinc/13/53/80/599135380.db2.gz MKZKGPMUDJXFBQ-FPYGCLRLSA-N -1 3 388.453 0.666 20 0 GCADHM Cc1cnc(COC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737446730 599149232 /nfs/dbraw/zinc/14/92/32/599149232.db2.gz UFWSILBWBAQADE-UHFFFAOYSA-N -1 3 378.370 0.185 20 0 GCADHM Cc1cnc(COC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737446730 599149234 /nfs/dbraw/zinc/14/92/34/599149234.db2.gz UFWSILBWBAQADE-UHFFFAOYSA-N -1 3 378.370 0.185 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OCC(F)(F)C(F)F ZINC000737894010 599149503 /nfs/dbraw/zinc/14/95/03/599149503.db2.gz BANXAHNIYOKDGP-UHFFFAOYSA-N -1 3 397.310 0.589 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OCC(F)(F)C(F)F ZINC000737894010 599149506 /nfs/dbraw/zinc/14/95/06/599149506.db2.gz BANXAHNIYOKDGP-UHFFFAOYSA-N -1 3 397.310 0.589 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736602843 599149750 /nfs/dbraw/zinc/14/97/50/599149750.db2.gz OLRJBQUGWWBTPQ-UHFFFAOYSA-N -1 3 399.367 0.572 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736602843 599149753 /nfs/dbraw/zinc/14/97/53/599149753.db2.gz OLRJBQUGWWBTPQ-UHFFFAOYSA-N -1 3 399.367 0.572 20 0 GCADHM CCOC(=O)C[C@@H](C)[S@@](=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736595694 599156089 /nfs/dbraw/zinc/15/60/89/599156089.db2.gz WVTQWBOMPHPNRC-QYOLQKOISA-N -1 3 379.442 0.573 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737753156 599156614 /nfs/dbraw/zinc/15/66/14/599156614.db2.gz MVHVYELBMKSFQS-UHFFFAOYSA-N -1 3 394.391 0.620 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737753156 599156616 /nfs/dbraw/zinc/15/66/16/599156616.db2.gz MVHVYELBMKSFQS-UHFFFAOYSA-N -1 3 394.391 0.620 20 0 GCADHM Cc1nnc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)n(N)c1=O ZINC000737532574 599159248 /nfs/dbraw/zinc/15/92/48/599159248.db2.gz JJXSOMQGWZLTPC-UHFFFAOYSA-N -1 3 384.385 0.183 20 0 GCADHM Cc1nnc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)n(N)c1=O ZINC000737532574 599159249 /nfs/dbraw/zinc/15/92/49/599159249.db2.gz JJXSOMQGWZLTPC-UHFFFAOYSA-N -1 3 384.385 0.183 20 0 GCADHM Cc1c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cnn1-c1ccc(=O)[nH]n1 ZINC000822020804 599169011 /nfs/dbraw/zinc/16/90/11/599169011.db2.gz JTICKHQZUUXMQO-UHFFFAOYSA-N -1 3 395.358 0.926 20 0 GCADHM Cc1c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cnn1-c1ccc(=O)[nH]n1 ZINC000822020804 599169015 /nfs/dbraw/zinc/16/90/15/599169015.db2.gz JTICKHQZUUXMQO-UHFFFAOYSA-N -1 3 395.358 0.926 20 0 GCADHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000821588212 599169427 /nfs/dbraw/zinc/16/94/27/599169427.db2.gz HHQNCNNDJFEGBC-UHFFFAOYSA-N -1 3 393.404 0.514 20 0 GCADHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000821588212 599169429 /nfs/dbraw/zinc/16/94/29/599169429.db2.gz HHQNCNNDJFEGBC-UHFFFAOYSA-N -1 3 393.404 0.514 20 0 GCADHM CN1CC[C@H](N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)C1=O ZINC000736851464 599172703 /nfs/dbraw/zinc/17/27/03/599172703.db2.gz IMVLTPNZXSBDBH-INIZCTEOSA-N -1 3 378.440 0.768 20 0 GCADHM CN1CC[C@H](N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)C1=O ZINC000736851464 599172706 /nfs/dbraw/zinc/17/27/06/599172706.db2.gz IMVLTPNZXSBDBH-INIZCTEOSA-N -1 3 378.440 0.768 20 0 GCADHM CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736567968 599178416 /nfs/dbraw/zinc/17/84/16/599178416.db2.gz IERKPEUUYWHJCX-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736567968 599178417 /nfs/dbraw/zinc/17/84/17/599178417.db2.gz IERKPEUUYWHJCX-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822895770 599184083 /nfs/dbraw/zinc/18/40/83/599184083.db2.gz XHXNNYZXUKQKSZ-UHFFFAOYSA-N -1 3 390.400 0.512 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822895770 599184086 /nfs/dbraw/zinc/18/40/86/599184086.db2.gz XHXNNYZXUKQKSZ-UHFFFAOYSA-N -1 3 390.400 0.512 20 0 GCADHM COc1ccccc1[C@@H](CO)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737140429 599190376 /nfs/dbraw/zinc/19/03/76/599190376.db2.gz CXPFKGAFDHLGKI-CQSZACIVSA-N -1 3 398.427 0.715 20 0 GCADHM COc1ccccc1[C@@H](CO)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737140429 599190380 /nfs/dbraw/zinc/19/03/80/599190380.db2.gz CXPFKGAFDHLGKI-CQSZACIVSA-N -1 3 398.427 0.715 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822205721 599196418 /nfs/dbraw/zinc/19/64/18/599196418.db2.gz GDAWRPGUTOEHCU-ZPIQOJFGSA-N -1 3 392.423 0.844 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822205721 599196421 /nfs/dbraw/zinc/19/64/21/599196421.db2.gz GDAWRPGUTOEHCU-ZPIQOJFGSA-N -1 3 392.423 0.844 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1nnnn1C1CC1 ZINC000820033898 599201100 /nfs/dbraw/zinc/20/11/00/599201100.db2.gz ZNZUDIDRDYHSRP-HNNXBMFYSA-N -1 3 383.416 0.908 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1nnnn1C1CC1 ZINC000820033898 599201101 /nfs/dbraw/zinc/20/11/01/599201101.db2.gz ZNZUDIDRDYHSRP-HNNXBMFYSA-N -1 3 383.416 0.908 20 0 GCADHM COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000821638547 607259621 /nfs/dbraw/zinc/25/96/21/607259621.db2.gz BEYJGGUNBSEEDZ-SSDOTTSWSA-N -1 3 393.347 0.973 20 0 GCADHM COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821638547 607259622 /nfs/dbraw/zinc/25/96/22/607259622.db2.gz BEYJGGUNBSEEDZ-SSDOTTSWSA-N -1 3 393.347 0.973 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000820666789 599206269 /nfs/dbraw/zinc/20/62/69/599206269.db2.gz KECKWYYNZQYWQV-IRWJRLHMSA-N -1 3 395.467 0.961 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737169383 599206354 /nfs/dbraw/zinc/20/63/54/599206354.db2.gz VTERBSBLYSGGJW-ZETCQYMHSA-N -1 3 377.352 0.408 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737169383 599206356 /nfs/dbraw/zinc/20/63/56/599206356.db2.gz VTERBSBLYSGGJW-ZETCQYMHSA-N -1 3 377.352 0.408 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000821700566 599207268 /nfs/dbraw/zinc/20/72/68/599207268.db2.gz RXLTUYYTLKPJNK-CYZMBNFOSA-N -1 3 386.412 0.380 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000821700566 599207270 /nfs/dbraw/zinc/20/72/70/599207270.db2.gz RXLTUYYTLKPJNK-CYZMBNFOSA-N -1 3 386.412 0.380 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657689 599208192 /nfs/dbraw/zinc/20/81/92/599208192.db2.gz MFHQRSNVCMOGGM-XHDPSFHLSA-N -1 3 380.412 0.453 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657689 599208197 /nfs/dbraw/zinc/20/81/97/599208197.db2.gz MFHQRSNVCMOGGM-XHDPSFHLSA-N -1 3 380.412 0.453 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657450 599211611 /nfs/dbraw/zinc/21/16/11/599211611.db2.gz LFDOHLWBGYSTHT-MLGOLLRUSA-N -1 3 394.439 0.843 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657450 599211613 /nfs/dbraw/zinc/21/16/13/599211613.db2.gz LFDOHLWBGYSTHT-MLGOLLRUSA-N -1 3 394.439 0.843 20 0 GCADHM Cc1cc(C)n2nc(C(=O)NCCOc3ccc(-c4nn[n-]n4)cc3)nc2n1 ZINC000737255600 599212284 /nfs/dbraw/zinc/21/22/84/599212284.db2.gz BDQCJFXNEIKJEN-UHFFFAOYSA-N -1 3 379.384 0.730 20 0 GCADHM CC[S@](=O)CCNC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736665537 599214098 /nfs/dbraw/zinc/21/40/98/599214098.db2.gz PGIYPKUIWXHRNP-SANMLTNESA-N -1 3 380.474 0.793 20 0 GCADHM CC[S@](=O)CCNC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736665537 599214100 /nfs/dbraw/zinc/21/41/00/599214100.db2.gz PGIYPKUIWXHRNP-SANMLTNESA-N -1 3 380.474 0.793 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737879744 599214702 /nfs/dbraw/zinc/21/47/02/599214702.db2.gz YGBAKXYJJQFLKG-GASCZTMLSA-N -1 3 398.423 0.537 20 0 GCADHM C[S@@](=O)CCNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737174282 599214771 /nfs/dbraw/zinc/21/47/71/599214771.db2.gz VBEBOXQXMBAWEH-AREMUKBSSA-N -1 3 377.474 0.467 20 0 GCADHM C[S@@](=O)CCNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737174282 599214773 /nfs/dbraw/zinc/21/47/73/599214773.db2.gz VBEBOXQXMBAWEH-AREMUKBSSA-N -1 3 377.474 0.467 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCOC[C@@H]1c1ccco1 ZINC000738038641 599215417 /nfs/dbraw/zinc/21/54/17/599215417.db2.gz LPWQJQQQQSZYQP-CQSZACIVSA-N -1 3 382.380 0.790 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC[C@@H]1c1ccco1 ZINC000738038641 599215420 /nfs/dbraw/zinc/21/54/20/599215420.db2.gz LPWQJQQQQSZYQP-CQSZACIVSA-N -1 3 382.380 0.790 20 0 GCADHM O=C(CN1C(=O)c2ccccc2C1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737878345 599218167 /nfs/dbraw/zinc/21/81/67/599218167.db2.gz PBZSBROANVUPQN-UHFFFAOYSA-N -1 3 392.375 0.658 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000737064138 599218926 /nfs/dbraw/zinc/21/89/26/599218926.db2.gz USAXMMFCNIJMOP-SNVBAGLBSA-N -1 3 381.418 0.031 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000737064138 599218928 /nfs/dbraw/zinc/21/89/28/599218928.db2.gz USAXMMFCNIJMOP-SNVBAGLBSA-N -1 3 381.418 0.031 20 0 GCADHM O=C(NCC[S@@](=O)Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738086035 599219265 /nfs/dbraw/zinc/21/92/65/599219265.db2.gz SBNZNSKMIQXPHQ-MUUNZHRXSA-N -1 3 398.448 0.870 20 0 GCADHM O=C(NCC[S@@](=O)Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738086035 599219268 /nfs/dbraw/zinc/21/92/68/599219268.db2.gz SBNZNSKMIQXPHQ-MUUNZHRXSA-N -1 3 398.448 0.870 20 0 GCADHM O=C(Cn1cnc2ccccc2c1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737989476 599219430 /nfs/dbraw/zinc/21/94/30/599219430.db2.gz YZTGTSVIPWECLW-UHFFFAOYSA-N -1 3 391.391 0.772 20 0 GCADHM O=C(Cn1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)n1)N1CCOCC1 ZINC000738199326 599226120 /nfs/dbraw/zinc/22/61/20/599226120.db2.gz XFTJGCZHLBJBSV-UHFFFAOYSA-N -1 3 382.384 0.174 20 0 GCADHM O=C(Cn1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)n1)N1CCOCC1 ZINC000738199326 599226123 /nfs/dbraw/zinc/22/61/23/599226123.db2.gz XFTJGCZHLBJBSV-UHFFFAOYSA-N -1 3 382.384 0.174 20 0 GCADHM Cc1noc(CCC(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000822527931 607261372 /nfs/dbraw/zinc/26/13/72/607261372.db2.gz KZXYOJZNIZEEEO-ZDUSSCGKSA-N -1 3 383.368 0.839 20 0 GCADHM Cc1noc(CCC(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822527931 607261373 /nfs/dbraw/zinc/26/13/73/607261373.db2.gz KZXYOJZNIZEEEO-ZDUSSCGKSA-N -1 3 383.368 0.839 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)C2=O)cn1 ZINC000822679324 607264333 /nfs/dbraw/zinc/26/43/33/607264333.db2.gz AUNRSKUZHFOMQB-NSHDSACASA-N -1 3 387.791 0.184 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)C2=O)cn1 ZINC000822679324 607264334 /nfs/dbraw/zinc/26/43/34/607264334.db2.gz AUNRSKUZHFOMQB-NSHDSACASA-N -1 3 387.791 0.184 20 0 GCADHM COCCCS(=O)(=O)NCC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000821688569 607265222 /nfs/dbraw/zinc/26/52/22/607265222.db2.gz PXCKDUFCIJIRBB-UHFFFAOYSA-N -1 3 387.393 0.005 20 0 GCADHM CN(CCCN1CCN(C)CC1)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000739737689 597004929 /nfs/dbraw/zinc/00/49/29/597004929.db2.gz PXXYUFVJXIRSNS-GOSISDBHSA-N -1 3 387.484 0.802 20 0 GCADHM CCN1CCN([C@@H](C)CNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000739452937 597013467 /nfs/dbraw/zinc/01/34/67/597013467.db2.gz BSNBPKPYXVYLKI-YJBOKZPZSA-N -1 3 387.484 0.848 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000737003760 599236954 /nfs/dbraw/zinc/23/69/54/599236954.db2.gz ICTDBYQQVMJRFP-NSHDSACASA-N -1 3 384.437 0.347 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000737003760 599236957 /nfs/dbraw/zinc/23/69/57/599236957.db2.gz ICTDBYQQVMJRFP-NSHDSACASA-N -1 3 384.437 0.347 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC000736623805 599237027 /nfs/dbraw/zinc/23/70/27/599237027.db2.gz LUVLASBCHYSYOR-GFCCVEGCSA-N -1 3 398.464 0.737 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC000736623805 599237030 /nfs/dbraw/zinc/23/70/30/599237030.db2.gz LUVLASBCHYSYOR-GFCCVEGCSA-N -1 3 398.464 0.737 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000736624386 599237167 /nfs/dbraw/zinc/23/71/67/599237167.db2.gz WLOXUMCBLNLMBL-ZDUSSCGKSA-N -1 3 380.474 0.598 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000736624386 599237168 /nfs/dbraw/zinc/23/71/68/599237168.db2.gz WLOXUMCBLNLMBL-ZDUSSCGKSA-N -1 3 380.474 0.598 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C[C@@H]1C ZINC000736624093 599237178 /nfs/dbraw/zinc/23/71/78/599237178.db2.gz RNGSFHWCFVLYMJ-AWEZNQCLSA-N -1 3 394.501 0.906 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C[C@@H]1C ZINC000736624093 599237179 /nfs/dbraw/zinc/23/71/79/599237179.db2.gz RNGSFHWCFVLYMJ-AWEZNQCLSA-N -1 3 394.501 0.906 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC000737003758 599237489 /nfs/dbraw/zinc/23/74/89/599237489.db2.gz ICTDBYQQVMJRFP-LLVKDONJSA-N -1 3 384.437 0.347 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC000737003758 599237492 /nfs/dbraw/zinc/23/74/92/599237492.db2.gz ICTDBYQQVMJRFP-LLVKDONJSA-N -1 3 384.437 0.347 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCN1CCOC ZINC000736406385 599237561 /nfs/dbraw/zinc/23/75/61/599237561.db2.gz KPHMCGQWFXALHZ-LBPRGKRZSA-N -1 3 398.464 0.737 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCN1CCOC ZINC000736406385 599237564 /nfs/dbraw/zinc/23/75/64/599237564.db2.gz KPHMCGQWFXALHZ-LBPRGKRZSA-N -1 3 398.464 0.737 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000822689523 599242502 /nfs/dbraw/zinc/24/25/02/599242502.db2.gz KPUJIGLKIXTOFM-CYBMUJFWSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822689523 599242504 /nfs/dbraw/zinc/24/25/04/599242504.db2.gz KPUJIGLKIXTOFM-CYBMUJFWSA-N -1 3 381.400 0.917 20 0 GCADHM CN1C(=O)COc2ccc(NCC(=O)NCc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000821620379 599244085 /nfs/dbraw/zinc/24/40/85/599244085.db2.gz HZKNDPNEVPEFLQ-UHFFFAOYSA-N -1 3 393.407 0.950 20 0 GCADHM CN1C(=O)COc2ccc(NCC(=O)NCc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000821620379 599244086 /nfs/dbraw/zinc/24/40/86/599244086.db2.gz HZKNDPNEVPEFLQ-UHFFFAOYSA-N -1 3 393.407 0.950 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)cccc1-c1nnn[n-]1 ZINC000822045377 607276102 /nfs/dbraw/zinc/27/61/02/607276102.db2.gz QDYSHKMCOAKPNV-OLZOCXBDSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)cccc1-c1nn[n-]n1 ZINC000822045377 607276103 /nfs/dbraw/zinc/27/61/03/607276103.db2.gz QDYSHKMCOAKPNV-OLZOCXBDSA-N -1 3 399.455 0.877 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C[C@@H]1C ZINC000821691374 607276420 /nfs/dbraw/zinc/27/64/20/607276420.db2.gz RUQMTDYBIHRFKT-LBPRGKRZSA-N -1 3 387.444 0.293 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C[C@@H]1C ZINC000821691374 607276421 /nfs/dbraw/zinc/27/64/21/607276421.db2.gz RUQMTDYBIHRFKT-LBPRGKRZSA-N -1 3 387.444 0.293 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cccc1-c1nnn[n-]1 ZINC000822045154 607276669 /nfs/dbraw/zinc/27/66/69/607276669.db2.gz PPMPYQMGLWGOGN-GFCCVEGCSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)cccc1-c1nn[n-]n1 ZINC000822045154 607276670 /nfs/dbraw/zinc/27/66/70/607276670.db2.gz PPMPYQMGLWGOGN-GFCCVEGCSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)cccc1-c1nnn[n-]1 ZINC000822043189 607278169 /nfs/dbraw/zinc/27/81/69/607278169.db2.gz BXADSDDIMGRBTP-UHFFFAOYSA-N -1 3 395.427 0.196 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)cccc1-c1nn[n-]n1 ZINC000822043189 607278170 /nfs/dbraw/zinc/27/81/70/607278170.db2.gz BXADSDDIMGRBTP-UHFFFAOYSA-N -1 3 395.427 0.196 20 0 GCADHM Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822491573 607273262 /nfs/dbraw/zinc/27/32/62/607273262.db2.gz FAHNUEYLSONZPF-UHFFFAOYSA-N -1 3 382.428 0.823 20 0 GCADHM Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822491573 607273263 /nfs/dbraw/zinc/27/32/63/607273263.db2.gz FAHNUEYLSONZPF-UHFFFAOYSA-N -1 3 382.428 0.823 20 0 GCADHM CCC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000820837650 607273589 /nfs/dbraw/zinc/27/35/89/607273589.db2.gz LAHWKJBVVPSDHD-UHFFFAOYSA-N -1 3 385.428 0.585 20 0 GCADHM CCC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000820837650 607273590 /nfs/dbraw/zinc/27/35/90/607273590.db2.gz LAHWKJBVVPSDHD-UHFFFAOYSA-N -1 3 385.428 0.585 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](c3nncn3C)C2)cccc1-c1nnn[n-]1 ZINC000822045118 607273698 /nfs/dbraw/zinc/27/36/98/607273698.db2.gz OWGMZCMPGUPSDP-GFCCVEGCSA-N -1 3 395.427 0.648 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](c3nncn3C)C2)cccc1-c1nn[n-]n1 ZINC000822045118 607273699 /nfs/dbraw/zinc/27/36/99/607273699.db2.gz OWGMZCMPGUPSDP-GFCCVEGCSA-N -1 3 395.427 0.648 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)cccc1-c1nnn[n-]1 ZINC000822045715 607273767 /nfs/dbraw/zinc/27/37/67/607273767.db2.gz SBADMTXFKVTGDC-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)cccc1-c1nn[n-]n1 ZINC000822045715 607273768 /nfs/dbraw/zinc/27/37/68/607273768.db2.gz SBADMTXFKVTGDC-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cccc1-c1nnn[n-]1 ZINC000822044206 607274527 /nfs/dbraw/zinc/27/45/27/607274527.db2.gz ILRSOUMDQUWVME-AWEZNQCLSA-N -1 3 399.455 0.437 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cccc1-c1nn[n-]n1 ZINC000822044206 607274528 /nfs/dbraw/zinc/27/45/28/607274528.db2.gz ILRSOUMDQUWVME-AWEZNQCLSA-N -1 3 399.455 0.437 20 0 GCADHM COc1ccc(CN2C[C@@H](C(=O)Nc3ccncc3-c3nnn[n-]3)CC2=O)cc1 ZINC000737091073 599248862 /nfs/dbraw/zinc/24/88/62/599248862.db2.gz PEWHHPDMGGODED-ZDUSSCGKSA-N -1 3 393.407 0.679 20 0 GCADHM COc1ccc(CN2C[C@@H](C(=O)Nc3ccncc3-c3nn[n-]n3)CC2=O)cc1 ZINC000737091073 599248865 /nfs/dbraw/zinc/24/88/65/599248865.db2.gz PEWHHPDMGGODED-ZDUSSCGKSA-N -1 3 393.407 0.679 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)cccc1-c1nnn[n-]1 ZINC000822043480 607275314 /nfs/dbraw/zinc/27/53/14/607275314.db2.gz FKTQVTATPYUGLR-GFCCVEGCSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)cccc1-c1nn[n-]n1 ZINC000822043480 607275315 /nfs/dbraw/zinc/27/53/15/607275315.db2.gz FKTQVTATPYUGLR-GFCCVEGCSA-N -1 3 385.428 0.618 20 0 GCADHM C[C@H]1CN(c2ccc(C(=O)Nc3ccncc3-c3nnn[n-]3)cn2)C[C@H](C)O1 ZINC000736288510 599249675 /nfs/dbraw/zinc/24/96/75/599249675.db2.gz IBEYLQRYMQWFCQ-RYUDHWBXSA-N -1 3 380.412 0.945 20 0 GCADHM C[C@H]1CN(c2ccc(C(=O)Nc3ccncc3-c3nn[n-]n3)cn2)C[C@H](C)O1 ZINC000736288510 599249677 /nfs/dbraw/zinc/24/96/77/599249677.db2.gz IBEYLQRYMQWFCQ-RYUDHWBXSA-N -1 3 380.412 0.945 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821864090 607278875 /nfs/dbraw/zinc/27/88/75/607278875.db2.gz SWXIYTSVBFQBCG-INIZCTEOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821864090 607278876 /nfs/dbraw/zinc/27/88/76/607278876.db2.gz SWXIYTSVBFQBCG-INIZCTEOSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)cccc1-c1nnn[n-]1 ZINC000822043060 607279622 /nfs/dbraw/zinc/27/96/22/607279622.db2.gz AWVRLHBRJZQPOA-AWEZNQCLSA-N -1 3 383.412 0.383 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)cccc1-c1nn[n-]n1 ZINC000822043060 607279623 /nfs/dbraw/zinc/27/96/23/607279623.db2.gz AWVRLHBRJZQPOA-AWEZNQCLSA-N -1 3 383.412 0.383 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821367358 607280330 /nfs/dbraw/zinc/28/03/30/607280330.db2.gz HMMDPQUXXRQIIM-CQSZACIVSA-N -1 3 389.460 0.722 20 0 GCADHM Cc1c(NC(=O)NCC2(O)CCS(=O)(=O)CC2)cccc1-c1nnn[n-]1 ZINC000822095237 607280951 /nfs/dbraw/zinc/28/09/51/607280951.db2.gz BJFCRCLNAIOCQZ-UHFFFAOYSA-N -1 3 380.430 0.236 20 0 GCADHM Cc1c(NC(=O)NCC2(O)CCS(=O)(=O)CC2)cccc1-c1nn[n-]n1 ZINC000822095237 607280952 /nfs/dbraw/zinc/28/09/52/607280952.db2.gz BJFCRCLNAIOCQZ-UHFFFAOYSA-N -1 3 380.430 0.236 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000818022198 597322631 /nfs/dbraw/zinc/32/26/31/597322631.db2.gz FDGNNLABDSTYLR-UKRRQHHQSA-N -1 3 385.424 0.858 20 0 GCADHM Cc1c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)cccc1-c1nnn[n-]1 ZINC000822084544 607288967 /nfs/dbraw/zinc/28/89/67/607288967.db2.gz MMKYJVXFHASYOL-UHFFFAOYSA-N -1 3 379.446 0.674 20 0 GCADHM Cc1c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)cccc1-c1nn[n-]n1 ZINC000822084544 607288968 /nfs/dbraw/zinc/28/89/68/607288968.db2.gz MMKYJVXFHASYOL-UHFFFAOYSA-N -1 3 379.446 0.674 20 0 GCADHM Cc1c(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cccc1-c1nnn[n-]1 ZINC000822084946 607292404 /nfs/dbraw/zinc/29/24/04/607292404.db2.gz TUZBUEYVPXMOMC-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM Cc1c(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cccc1-c1nn[n-]n1 ZINC000822084946 607292405 /nfs/dbraw/zinc/29/24/05/607292405.db2.gz TUZBUEYVPXMOMC-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000820314840 607292650 /nfs/dbraw/zinc/29/26/50/607292650.db2.gz KUGNGGITJIVZQN-RNCFNFMXSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)[C@@H]1CN(C)CCO1 ZINC000820317010 607293070 /nfs/dbraw/zinc/29/30/70/607293070.db2.gz ZLPMBPVOCYOANR-RNCFNFMXSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCc2ncccc21 ZINC000820438569 607293583 /nfs/dbraw/zinc/29/35/83/607293583.db2.gz SDLAUVXHWZYZTR-NSHDSACASA-N -1 3 399.436 0.518 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2ncccc21 ZINC000820438569 607293584 /nfs/dbraw/zinc/29/35/84/607293584.db2.gz SDLAUVXHWZYZTR-NSHDSACASA-N -1 3 399.436 0.518 20 0 GCADHM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N(CCN(C)C)CC(=O)[O-])C2=O ZINC000820221562 597412011 /nfs/dbraw/zinc/41/20/11/597412011.db2.gz RBLGZDIZBQGDAP-CHWSQXEVSA-N -1 3 382.461 0.208 20 0 GCADHM CNC(=O)CN1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)CC1 ZINC000736873091 599259505 /nfs/dbraw/zinc/25/95/05/599259505.db2.gz FZAARKORXUINAV-UHFFFAOYSA-N -1 3 384.419 0.730 20 0 GCADHM CNC(=O)CN1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000736873091 599259508 /nfs/dbraw/zinc/25/95/08/599259508.db2.gz FZAARKORXUINAV-UHFFFAOYSA-N -1 3 384.419 0.730 20 0 GCADHM NS(=O)(=O)c1ccc(NCCc2nnc3ccccn32)c(-c2nnn[n-]2)c1 ZINC000737768939 599260185 /nfs/dbraw/zinc/26/01/85/599260185.db2.gz BOXJRJLOAHYVRB-UHFFFAOYSA-N -1 3 385.413 0.211 20 0 GCADHM NS(=O)(=O)c1ccc(NCCc2nnc3ccccn32)c(-c2nn[n-]n2)c1 ZINC000737768939 599260187 /nfs/dbraw/zinc/26/01/87/599260187.db2.gz BOXJRJLOAHYVRB-UHFFFAOYSA-N -1 3 385.413 0.211 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820037330 607300273 /nfs/dbraw/zinc/30/02/73/607300273.db2.gz CKQDDYKRBNVPJQ-QGZVFWFLSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820037330 607300274 /nfs/dbraw/zinc/30/02/74/607300274.db2.gz CKQDDYKRBNVPJQ-QGZVFWFLSA-N -1 3 399.455 0.959 20 0 GCADHM CN1C[C@@H](NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)CCC1=O ZINC000821620883 607301494 /nfs/dbraw/zinc/30/14/94/607301494.db2.gz YVFUBUKINQZUBJ-LBPRGKRZSA-N -1 3 385.428 0.713 20 0 GCADHM CN1C[C@@H](NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)CCC1=O ZINC000821620883 607301495 /nfs/dbraw/zinc/30/14/95/607301495.db2.gz YVFUBUKINQZUBJ-LBPRGKRZSA-N -1 3 385.428 0.713 20 0 GCADHM CC(=O)NC[C@H]1CN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)CCO1 ZINC000735473960 599264066 /nfs/dbraw/zinc/26/40/66/599264066.db2.gz MGGXKVJIHSJCGS-INIZCTEOSA-N -1 3 382.428 0.525 20 0 GCADHM CC(=O)NC[C@H]1CN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)CCO1 ZINC000735473960 599264067 /nfs/dbraw/zinc/26/40/67/599264067.db2.gz MGGXKVJIHSJCGS-INIZCTEOSA-N -1 3 382.428 0.525 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000821608375 607309065 /nfs/dbraw/zinc/30/90/65/607309065.db2.gz DKKAZVSUNYEXMZ-CYBMUJFWSA-N -1 3 380.474 0.789 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000821608375 607309066 /nfs/dbraw/zinc/30/90/66/607309066.db2.gz DKKAZVSUNYEXMZ-CYBMUJFWSA-N -1 3 380.474 0.789 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000821612399 607309170 /nfs/dbraw/zinc/30/91/70/607309170.db2.gz UBVUOEMRXCLNBE-ZDUSSCGKSA-N -1 3 380.474 0.789 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000821612399 607309171 /nfs/dbraw/zinc/30/91/71/607309171.db2.gz UBVUOEMRXCLNBE-ZDUSSCGKSA-N -1 3 380.474 0.789 20 0 GCADHM O=C1CNC(=O)N1c1cccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000823540468 607310300 /nfs/dbraw/zinc/31/03/00/607310300.db2.gz FVTHCHGGZGTXAC-SNVBAGLBSA-N -1 3 394.399 0.273 20 0 GCADHM O=C1CNC(=O)N1c1cccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000823540468 607310301 /nfs/dbraw/zinc/31/03/01/607310301.db2.gz FVTHCHGGZGTXAC-SNVBAGLBSA-N -1 3 394.399 0.273 20 0 GCADHM Cn1nnnc1-c1cccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000822714128 607310915 /nfs/dbraw/zinc/31/09/15/607310915.db2.gz GUGIGDREUBIDRI-JTQLQIEISA-N -1 3 378.404 0.408 20 0 GCADHM Cn1nnnc1-c1cccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000822714128 607310916 /nfs/dbraw/zinc/31/09/16/607310916.db2.gz GUGIGDREUBIDRI-JTQLQIEISA-N -1 3 378.404 0.408 20 0 GCADHM c1ncn(Cc2ccc(NC[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2)n1 ZINC000823821537 607312089 /nfs/dbraw/zinc/31/20/89/607312089.db2.gz WGSPELPVWIXHSZ-CYBMUJFWSA-N -1 3 377.416 0.857 20 0 GCADHM c1ncn(Cc2ccc(NC[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2)n1 ZINC000823821537 607312090 /nfs/dbraw/zinc/31/20/90/607312090.db2.gz WGSPELPVWIXHSZ-CYBMUJFWSA-N -1 3 377.416 0.857 20 0 GCADHM O=C(CN1CCN([C@@H]2CCOC2)CC1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822996337 607312646 /nfs/dbraw/zinc/31/26/46/607312646.db2.gz CSAXLIRYQADOCG-CYBMUJFWSA-N -1 3 391.863 0.865 20 0 GCADHM O=C(CN1CCN([C@@H]2CCOC2)CC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822996337 607312647 /nfs/dbraw/zinc/31/26/47/607312647.db2.gz CSAXLIRYQADOCG-CYBMUJFWSA-N -1 3 391.863 0.865 20 0 GCADHM Cc1ccc(-n2cnnn2)cc1NC[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000822225102 607312859 /nfs/dbraw/zinc/31/28/59/607312859.db2.gz OLHSZYIKTZEUFQ-LLVKDONJSA-N -1 3 378.404 0.501 20 0 GCADHM Cc1ccc(-n2cnnn2)cc1NC[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000822225102 607312860 /nfs/dbraw/zinc/31/28/60/607312860.db2.gz OLHSZYIKTZEUFQ-LLVKDONJSA-N -1 3 378.404 0.501 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCOCCS(C)(=O)=O ZINC000821411778 599265320 /nfs/dbraw/zinc/26/53/20/599265320.db2.gz AZJUSFRCFYPQDF-UHFFFAOYSA-N -1 3 398.445 0.448 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCOCCS(C)(=O)=O ZINC000821411778 599265323 /nfs/dbraw/zinc/26/53/23/599265323.db2.gz AZJUSFRCFYPQDF-UHFFFAOYSA-N -1 3 398.445 0.448 20 0 GCADHM O[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)CN1CCOCC1 ZINC000823690335 607303425 /nfs/dbraw/zinc/30/34/25/607303425.db2.gz NJZXKWQCYLDWDQ-NSHDSACASA-N -1 3 391.382 0.798 20 0 GCADHM O[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)CN1CCOCC1 ZINC000823690335 607303426 /nfs/dbraw/zinc/30/34/26/607303426.db2.gz NJZXKWQCYLDWDQ-NSHDSACASA-N -1 3 391.382 0.798 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC000823612839 607304161 /nfs/dbraw/zinc/30/41/61/607304161.db2.gz DKLFDWAPSXYRJN-LLVKDONJSA-N -1 3 384.412 0.454 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC000823612839 607304162 /nfs/dbraw/zinc/30/41/62/607304162.db2.gz DKLFDWAPSXYRJN-LLVKDONJSA-N -1 3 384.412 0.454 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)C1 ZINC000823615064 607304209 /nfs/dbraw/zinc/30/42/09/607304209.db2.gz ZISXQPNAVQKHGU-CQSZACIVSA-N -1 3 399.480 0.724 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)C1 ZINC000823615064 607304210 /nfs/dbraw/zinc/30/42/10/607304210.db2.gz ZISXQPNAVQKHGU-CQSZACIVSA-N -1 3 399.480 0.724 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(c2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000819789404 607305077 /nfs/dbraw/zinc/30/50/77/607305077.db2.gz NOKUFKWMQYHVAS-CYBMUJFWSA-N -1 3 398.431 0.592 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(c2nnc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000819789404 607305078 /nfs/dbraw/zinc/30/50/78/607305078.db2.gz NOKUFKWMQYHVAS-CYBMUJFWSA-N -1 3 398.431 0.592 20 0 GCADHM Cc1cc(N2CCN(C(=O)CN3CC[C@@H](C(=O)[O-])C3)CC2)nc(C(C)C)n1 ZINC000818835385 597527861 /nfs/dbraw/zinc/52/78/61/597527861.db2.gz IBCVAVVSPYQBLH-OAHLLOKOSA-N -1 3 375.473 0.964 20 0 GCADHM CC(=O)NC[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000735473936 599269602 /nfs/dbraw/zinc/26/96/02/599269602.db2.gz LSIQTRNTDCXVTB-MFKMUULPSA-N -1 3 391.432 0.240 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737163425 599276097 /nfs/dbraw/zinc/27/60/97/599276097.db2.gz XBEIOEPDYQAXOJ-CYBMUJFWSA-N -1 3 399.523 0.905 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737163425 599276100 /nfs/dbraw/zinc/27/61/00/599276100.db2.gz XBEIOEPDYQAXOJ-CYBMUJFWSA-N -1 3 399.523 0.905 20 0 GCADHM COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736940026 599274107 /nfs/dbraw/zinc/27/41/07/599274107.db2.gz NFASWWWNWPCDQU-LURJTMIESA-N -1 3 379.320 0.725 20 0 GCADHM COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736940026 599274108 /nfs/dbraw/zinc/27/41/08/599274108.db2.gz NFASWWWNWPCDQU-LURJTMIESA-N -1 3 379.320 0.725 20 0 GCADHM COC[C@H](C)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736968711 599274272 /nfs/dbraw/zinc/27/42/72/599274272.db2.gz IMLWPPZWILZFOY-NSHDSACASA-N -1 3 384.437 0.493 20 0 GCADHM COC[C@H](C)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736968711 599274275 /nfs/dbraw/zinc/27/42/75/599274275.db2.gz IMLWPPZWILZFOY-NSHDSACASA-N -1 3 384.437 0.493 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000736171188 599274310 /nfs/dbraw/zinc/27/43/10/599274310.db2.gz ULSRMLMJNYQIEN-ZWNOBZJWSA-N -1 3 397.482 0.580 20 0 GCADHM COC[C@@H](C)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736968708 599274325 /nfs/dbraw/zinc/27/43/25/599274325.db2.gz IMLWPPZWILZFOY-LLVKDONJSA-N -1 3 384.437 0.493 20 0 GCADHM COC[C@@H](C)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736968708 599274327 /nfs/dbraw/zinc/27/43/27/599274327.db2.gz IMLWPPZWILZFOY-LLVKDONJSA-N -1 3 384.437 0.493 20 0 GCADHM CC1N=NC(=S)N1CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737534046 599276292 /nfs/dbraw/zinc/27/62/92/599276292.db2.gz RJXKASUBIBDGRS-UHFFFAOYSA-N -1 3 376.471 0.964 20 0 GCADHM CC1N=NC(=S)N1CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737534046 599276296 /nfs/dbraw/zinc/27/62/96/599276296.db2.gz RJXKASUBIBDGRS-UHFFFAOYSA-N -1 3 376.471 0.964 20 0 GCADHM Cc1cc(F)cc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000822203439 607319332 /nfs/dbraw/zinc/31/93/32/607319332.db2.gz UFJCGMRWALGBES-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM Cc1cc(F)cc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822203439 607319333 /nfs/dbraw/zinc/31/93/33/607319333.db2.gz UFJCGMRWALGBES-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@H](Cn2cncn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113535 599278038 /nfs/dbraw/zinc/27/80/38/599278038.db2.gz PFZCYZAYWHFHMF-WFASDCNBSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@H](Cn2cncn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113535 599278043 /nfs/dbraw/zinc/27/80/43/599278043.db2.gz PFZCYZAYWHFHMF-WFASDCNBSA-N -1 3 383.416 0.630 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822206169 599279917 /nfs/dbraw/zinc/27/99/17/599279917.db2.gz WVKBEZFHNXUVOV-CYBMUJFWSA-N -1 3 399.390 0.975 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822206169 599279919 /nfs/dbraw/zinc/27/99/19/599279919.db2.gz WVKBEZFHNXUVOV-CYBMUJFWSA-N -1 3 399.390 0.975 20 0 GCADHM Cc1cnn(CCNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000737449359 599281073 /nfs/dbraw/zinc/28/10/73/599281073.db2.gz WHPQAZQZSFNAQW-UHFFFAOYSA-N -1 3 382.432 0.298 20 0 GCADHM Cc1cnn(CCNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000737449359 599281075 /nfs/dbraw/zinc/28/10/75/599281075.db2.gz WHPQAZQZSFNAQW-UHFFFAOYSA-N -1 3 382.432 0.298 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)COc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000821663498 607320688 /nfs/dbraw/zinc/32/06/88/607320688.db2.gz AHOIAPZOVJVHFI-JTQLQIEISA-N -1 3 387.356 0.314 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@H](Cn2cncn2)C1 ZINC000738099212 599281908 /nfs/dbraw/zinc/28/19/08/599281908.db2.gz DRXQZZIZWSFHTB-ZDUSSCGKSA-N -1 3 387.379 0.208 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@H](Cn2cncn2)C1 ZINC000738099212 599281910 /nfs/dbraw/zinc/28/19/10/599281910.db2.gz DRXQZZIZWSFHTB-ZDUSSCGKSA-N -1 3 387.379 0.208 20 0 GCADHM O=C(NCc1cccc(-n2cncn2)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738115510 599284172 /nfs/dbraw/zinc/28/41/72/599284172.db2.gz CWSHWUAEYPUXNS-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM O=C(NCc1cccc(-n2cncn2)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738115510 599284173 /nfs/dbraw/zinc/28/41/73/599284173.db2.gz CWSHWUAEYPUXNS-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM Cc1noc(CCCN2C(=O)N[C@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000737534231 599285305 /nfs/dbraw/zinc/28/53/05/599285305.db2.gz ITVAEJNEDGTYOG-QGZVFWFLSA-N -1 3 382.384 0.958 20 0 GCADHM Cc1noc(CCCN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737534231 599285306 /nfs/dbraw/zinc/28/53/06/599285306.db2.gz ITVAEJNEDGTYOG-QGZVFWFLSA-N -1 3 382.384 0.958 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000737471260 599289655 /nfs/dbraw/zinc/28/96/55/599289655.db2.gz GGCOLZUTZRUGSE-OAHLLOKOSA-N -1 3 397.443 0.703 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000737471260 599289657 /nfs/dbraw/zinc/28/96/57/599289657.db2.gz GGCOLZUTZRUGSE-OAHLLOKOSA-N -1 3 397.443 0.703 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCc1cn[nH]c1 ZINC000820446317 607322358 /nfs/dbraw/zinc/32/23/58/607322358.db2.gz UPYUWOGQZXGSSO-SNVBAGLBSA-N -1 3 391.413 0.043 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCc1cn[nH]c1 ZINC000820446317 607322359 /nfs/dbraw/zinc/32/23/59/607322359.db2.gz UPYUWOGQZXGSSO-SNVBAGLBSA-N -1 3 391.413 0.043 20 0 GCADHM Cc1c[nH]c(NC(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822394859 607324233 /nfs/dbraw/zinc/32/42/33/607324233.db2.gz KQGWQYLQDLFABC-GFCCVEGCSA-N -1 3 395.383 0.742 20 0 GCADHM O=C(CN1CCO[C@@H](CNc2cccnn2)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737883567 599292456 /nfs/dbraw/zinc/29/24/56/599292456.db2.gz QWKSEJBLVUNSJY-HNNXBMFYSA-N -1 3 395.427 0.408 20 0 GCADHM O=C(CN1CCO[C@@H](CNc2cccnn2)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737883567 599292458 /nfs/dbraw/zinc/29/24/58/599292458.db2.gz QWKSEJBLVUNSJY-HNNXBMFYSA-N -1 3 395.427 0.408 20 0 GCADHM Cc1cn(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000822383669 607329705 /nfs/dbraw/zinc/32/97/05/607329705.db2.gz ARNZPXNDOQIYJQ-ZDUSSCGKSA-N -1 3 380.474 0.648 20 0 GCADHM Cc1cn(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000822383669 607329706 /nfs/dbraw/zinc/32/97/06/607329706.db2.gz ARNZPXNDOQIYJQ-ZDUSSCGKSA-N -1 3 380.474 0.648 20 0 GCADHM O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1 ZINC000823551645 607332142 /nfs/dbraw/zinc/33/21/42/607332142.db2.gz YLLFCERNQCMLAH-GFCCVEGCSA-N -1 3 391.391 0.763 20 0 GCADHM O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1 ZINC000823551645 607332143 /nfs/dbraw/zinc/33/21/43/607332143.db2.gz YLLFCERNQCMLAH-GFCCVEGCSA-N -1 3 391.391 0.763 20 0 GCADHM O=C(NC[C@H](CO)Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823160527 607333572 /nfs/dbraw/zinc/33/35/72/607333572.db2.gz CJUBJNYTBOSKOR-CYBMUJFWSA-N -1 3 398.398 0.912 20 0 GCADHM O=C(NC[C@H](CO)Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823160527 607333573 /nfs/dbraw/zinc/33/35/73/607333573.db2.gz CJUBJNYTBOSKOR-CYBMUJFWSA-N -1 3 398.398 0.912 20 0 GCADHM O=C(NC[C@@H](CO)Cc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823160708 607333733 /nfs/dbraw/zinc/33/37/33/607333733.db2.gz FXBQTOBOAZSIFN-JTQLQIEISA-N -1 3 388.359 0.505 20 0 GCADHM O=C(NC[C@@H](CO)Cc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823160708 607333734 /nfs/dbraw/zinc/33/37/34/607333734.db2.gz FXBQTOBOAZSIFN-JTQLQIEISA-N -1 3 388.359 0.505 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000822704538 607334255 /nfs/dbraw/zinc/33/42/55/607334255.db2.gz MPFKTPUUCNHIHV-LLVKDONJSA-N -1 3 399.390 0.479 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000822704538 607334257 /nfs/dbraw/zinc/33/42/57/607334257.db2.gz MPFKTPUUCNHIHV-LLVKDONJSA-N -1 3 399.390 0.479 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC1CCC2(CC1)OCCO2 ZINC000823323093 607335035 /nfs/dbraw/zinc/33/50/35/607335035.db2.gz AVAJXILLSLZRFH-UHFFFAOYSA-N -1 3 390.375 0.746 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC1CCC2(CC1)OCCO2 ZINC000823323093 607335038 /nfs/dbraw/zinc/33/50/38/607335038.db2.gz AVAJXILLSLZRFH-UHFFFAOYSA-N -1 3 390.375 0.746 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)[C@H](C)N1CCOCC1 ZINC000820316960 607336857 /nfs/dbraw/zinc/33/68/57/607336857.db2.gz YDYGHBZDLMPQTI-MNOVXSKESA-N -1 3 391.407 0.170 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)[C@H](C)N1CCOCC1 ZINC000820316960 607336859 /nfs/dbraw/zinc/33/68/59/607336859.db2.gz YDYGHBZDLMPQTI-MNOVXSKESA-N -1 3 391.407 0.170 20 0 GCADHM NC(=O)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000822864794 607337763 /nfs/dbraw/zinc/33/77/63/607337763.db2.gz LRSNCZLCLPPAOK-SNVBAGLBSA-N -1 3 389.391 0.448 20 0 GCADHM NC(=O)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000822864794 607337764 /nfs/dbraw/zinc/33/77/64/607337764.db2.gz LRSNCZLCLPPAOK-SNVBAGLBSA-N -1 3 389.391 0.448 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cccnc1I ZINC000820538969 598153733 /nfs/dbraw/zinc/15/37/33/598153733.db2.gz BWOOAEKRTPLULE-UHFFFAOYSA-N -1 3 377.182 0.775 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820467594 607338533 /nfs/dbraw/zinc/33/85/33/607338533.db2.gz KHPIJHWPOTXTPZ-GOSISDBHSA-N -1 3 384.371 0.968 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820467594 607338535 /nfs/dbraw/zinc/33/85/35/607338535.db2.gz KHPIJHWPOTXTPZ-GOSISDBHSA-N -1 3 384.371 0.968 20 0 GCADHM CO[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC000821675742 607339278 /nfs/dbraw/zinc/33/92/78/607339278.db2.gz SEBVVXJGPKBVQX-VIFPVBQESA-N -1 3 376.270 0.638 20 0 GCADHM CO[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000821675742 607339280 /nfs/dbraw/zinc/33/92/80/607339280.db2.gz SEBVVXJGPKBVQX-VIFPVBQESA-N -1 3 376.270 0.638 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820643410 607340454 /nfs/dbraw/zinc/34/04/54/607340454.db2.gz VUSNCIYFVGXAEJ-WBOIOXJYSA-N -1 3 380.405 0.312 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820643410 607340456 /nfs/dbraw/zinc/34/04/56/607340456.db2.gz VUSNCIYFVGXAEJ-WBOIOXJYSA-N -1 3 380.405 0.312 20 0 GCADHM O=C(NCc1ccc(CO)c(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823249721 607340983 /nfs/dbraw/zinc/34/09/83/607340983.db2.gz GXJDQDJLQLQKRW-UHFFFAOYSA-N -1 3 388.334 0.892 20 0 GCADHM O=C(NCc1ccc(CO)c(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823249721 607340985 /nfs/dbraw/zinc/34/09/85/607340985.db2.gz GXJDQDJLQLQKRW-UHFFFAOYSA-N -1 3 388.334 0.892 20 0 GCADHM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820138281 607341466 /nfs/dbraw/zinc/34/14/66/607341466.db2.gz SUPCKIPKVYMTMC-SECBINFHSA-N -1 3 378.364 0.648 20 0 GCADHM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820138281 607341468 /nfs/dbraw/zinc/34/14/68/607341468.db2.gz SUPCKIPKVYMTMC-SECBINFHSA-N -1 3 378.364 0.648 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000822864935 607342384 /nfs/dbraw/zinc/34/23/84/607342384.db2.gz PRYBYLNIMUZKIM-SECBINFHSA-N -1 3 375.364 0.058 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000822864935 607342385 /nfs/dbraw/zinc/34/23/85/607342385.db2.gz PRYBYLNIMUZKIM-SECBINFHSA-N -1 3 375.364 0.058 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823323577 607343945 /nfs/dbraw/zinc/34/39/45/607343945.db2.gz UQPWPWFRIUVUEB-KGLIPLIRSA-N -1 3 390.375 0.351 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823323577 607343947 /nfs/dbraw/zinc/34/39/47/607343947.db2.gz UQPWPWFRIUVUEB-KGLIPLIRSA-N -1 3 390.375 0.351 20 0 GCADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736288129 598231301 /nfs/dbraw/zinc/23/13/01/598231301.db2.gz QZEPACIIAVMYGG-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000736288129 598231302 /nfs/dbraw/zinc/23/13/02/598231302.db2.gz QZEPACIIAVMYGG-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)[C@@H](C)CO1 ZINC000736284881 598232698 /nfs/dbraw/zinc/23/26/98/598232698.db2.gz HIYQASNCYXZHBL-VNBZBWLYSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)[C@@H](C)CO1 ZINC000736284881 598232700 /nfs/dbraw/zinc/23/27/00/598232700.db2.gz HIYQASNCYXZHBL-VNBZBWLYSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736295544 598233193 /nfs/dbraw/zinc/23/31/93/598233193.db2.gz ZSABTWSVMXVVFA-WMLDXEAASA-N -1 3 385.472 0.672 20 0 GCADHM COC(=O)[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C1 ZINC000736912822 598233328 /nfs/dbraw/zinc/23/33/28/598233328.db2.gz QXXXXEVPJKIVCU-XIKOKIGWSA-N -1 3 399.411 0.086 20 0 GCADHM COC(=O)[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736912822 598233330 /nfs/dbraw/zinc/23/33/30/598233330.db2.gz QXXXXEVPJKIVCU-XIKOKIGWSA-N -1 3 399.411 0.086 20 0 GCADHM CC1(C)CC(=O)N(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)C1=O ZINC000736211970 598234189 /nfs/dbraw/zinc/23/41/89/598234189.db2.gz SXPRMWIDIVIQKP-UHFFFAOYSA-N -1 3 387.419 0.870 20 0 GCADHM O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738296048 598235284 /nfs/dbraw/zinc/23/52/84/598235284.db2.gz JNJJMEZCSOOCDF-GASCZTMLSA-N -1 3 393.451 0.897 20 0 GCADHM O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738296048 598235285 /nfs/dbraw/zinc/23/52/85/598235285.db2.gz JNJJMEZCSOOCDF-GASCZTMLSA-N -1 3 393.451 0.897 20 0 GCADHM CCS(=O)(=O)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736656236 598238080 /nfs/dbraw/zinc/23/80/80/598238080.db2.gz IOROREJWHTZRIY-UHFFFAOYSA-N -1 3 379.442 0.671 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000737022967 598241317 /nfs/dbraw/zinc/24/13/17/598241317.db2.gz GSKZCWLKQRIBRZ-QWHCGFSZSA-N -1 3 390.444 0.480 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(Cc2nnnn2C2CC2)C1=O ZINC000736225183 598249541 /nfs/dbraw/zinc/24/95/41/598249541.db2.gz XJGSBWBVKUXIKZ-INIZCTEOSA-N -1 3 380.372 0.155 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(Cc2nnnn2C2CC2)C1=O ZINC000736225183 598249544 /nfs/dbraw/zinc/24/95/44/598249544.db2.gz XJGSBWBVKUXIKZ-INIZCTEOSA-N -1 3 380.372 0.155 20 0 GCADHM CCNC(=O)NC(=O)[C@@H](C)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736576625 598250016 /nfs/dbraw/zinc/25/00/16/598250016.db2.gz XBFCRHOYYCPMJU-GFCCVEGCSA-N -1 3 387.444 0.944 20 0 GCADHM O=C(CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)NC(=O)NC1CC1 ZINC000737877299 598251388 /nfs/dbraw/zinc/25/13/88/598251388.db2.gz VSVBHRHUKUIMPZ-UHFFFAOYSA-N -1 3 385.428 0.698 20 0 GCADHM O=C(CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)NC(=O)NC1CC1 ZINC000737877299 598251389 /nfs/dbraw/zinc/25/13/89/598251389.db2.gz VSVBHRHUKUIMPZ-UHFFFAOYSA-N -1 3 385.428 0.698 20 0 GCADHM CC1(C)NC(=O)N(CCN2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000736215243 598252289 /nfs/dbraw/zinc/25/22/89/598252289.db2.gz VIFAGTQUSWARKO-UHFFFAOYSA-N -1 3 384.444 0.319 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cn1 ZINC000737610408 598252906 /nfs/dbraw/zinc/25/29/06/598252906.db2.gz OVUSGDYNLOUQQP-UHFFFAOYSA-N -1 3 389.441 0.832 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000737610408 598252908 /nfs/dbraw/zinc/25/29/08/598252908.db2.gz OVUSGDYNLOUQQP-UHFFFAOYSA-N -1 3 389.441 0.832 20 0 GCADHM CCOCCCNC(=O)[C@@H](C)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736615022 598253125 /nfs/dbraw/zinc/25/31/25/598253125.db2.gz JQAALGFQIXVQKQ-OAHLLOKOSA-N -1 3 387.488 0.920 20 0 GCADHM CCOCCCNC(=O)[C@@H](C)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736615022 598253127 /nfs/dbraw/zinc/25/31/27/598253127.db2.gz JQAALGFQIXVQKQ-OAHLLOKOSA-N -1 3 387.488 0.920 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737512684 598253645 /nfs/dbraw/zinc/25/36/45/598253645.db2.gz ZGZSBBGBIJBQIL-UHFFFAOYSA-N -1 3 395.471 0.978 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737512684 598253647 /nfs/dbraw/zinc/25/36/47/598253647.db2.gz ZGZSBBGBIJBQIL-UHFFFAOYSA-N -1 3 395.471 0.978 20 0 GCADHM CC(=O)N1CCC(CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735460092 598254788 /nfs/dbraw/zinc/25/47/88/598254788.db2.gz DDVXXKZGSQKRJA-UHFFFAOYSA-N -1 3 387.448 0.231 20 0 GCADHM CC(=O)N1CCC(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735460092 598254790 /nfs/dbraw/zinc/25/47/90/598254790.db2.gz DDVXXKZGSQKRJA-UHFFFAOYSA-N -1 3 387.448 0.231 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000737001918 598255235 /nfs/dbraw/zinc/25/52/35/598255235.db2.gz GBJPILWYPCNUCP-MRXNPFEDSA-N -1 3 389.460 0.355 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000737001918 598255237 /nfs/dbraw/zinc/25/52/37/598255237.db2.gz GBJPILWYPCNUCP-MRXNPFEDSA-N -1 3 389.460 0.355 20 0 GCADHM C[C@H]1CN(C(=O)CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)CCO1 ZINC000736279959 598256283 /nfs/dbraw/zinc/25/62/83/598256283.db2.gz MBJBQVGQIXELCX-ZDUSSCGKSA-N -1 3 389.435 0.375 20 0 GCADHM CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736576257 598256371 /nfs/dbraw/zinc/25/63/71/598256371.db2.gz NPRWXOSOXIGQJN-LLVKDONJSA-N -1 3 390.423 0.362 20 0 GCADHM NC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737747088 598257702 /nfs/dbraw/zinc/25/77/02/598257702.db2.gz WACPRWQCVBYAGE-CYBMUJFWSA-N -1 3 381.400 0.115 20 0 GCADHM NC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737747088 598257703 /nfs/dbraw/zinc/25/77/03/598257703.db2.gz WACPRWQCVBYAGE-CYBMUJFWSA-N -1 3 381.400 0.115 20 0 GCADHM O=C(CN1CCN(c2cccnn2)CC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737880605 598258833 /nfs/dbraw/zinc/25/88/33/598258833.db2.gz ASWZSZSUIKLJOM-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM O=C(CN1CCN(c2cccnn2)CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737880605 598258834 /nfs/dbraw/zinc/25/88/34/598258834.db2.gz ASWZSZSUIKLJOM-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM O=C(CN1CCN(c2cccnn2)CC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737881461 598258845 /nfs/dbraw/zinc/25/88/45/598258845.db2.gz DZKOUGHAIGVSAM-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM O=C(CN1CCN(c2cccnn2)CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737881461 598258848 /nfs/dbraw/zinc/25/88/48/598258848.db2.gz DZKOUGHAIGVSAM-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(c3cccnn3)CC2)c(-c2nnn[n-]2)c1C ZINC000737554007 598258934 /nfs/dbraw/zinc/25/89/34/598258934.db2.gz ZBAGXWMJXKBGCB-UHFFFAOYSA-N -1 3 383.416 0.627 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@H](O)Cc1ccccc1 ZINC000737024528 598260271 /nfs/dbraw/zinc/26/02/71/598260271.db2.gz SQSIWFVLFKUCNV-OAHLLOKOSA-N -1 3 383.408 0.974 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@H](O)Cc1ccccc1 ZINC000737024528 598260272 /nfs/dbraw/zinc/26/02/72/598260272.db2.gz SQSIWFVLFKUCNV-OAHLLOKOSA-N -1 3 383.408 0.974 20 0 GCADHM CN(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1 ZINC000736760094 598260830 /nfs/dbraw/zinc/26/08/30/598260830.db2.gz PERAOOHRNXACJE-HNNXBMFYSA-N -1 3 391.432 0.982 20 0 GCADHM CN(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1 ZINC000736760094 598260831 /nfs/dbraw/zinc/26/08/31/598260831.db2.gz PERAOOHRNXACJE-HNNXBMFYSA-N -1 3 391.432 0.982 20 0 GCADHM C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000736284746 598261939 /nfs/dbraw/zinc/26/19/39/598261939.db2.gz FFWFNUZRSCLWLM-TXEJJXNPSA-N -1 3 381.462 0.039 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738319312 598272382 /nfs/dbraw/zinc/27/23/82/598272382.db2.gz UYCSKZIJEBZUOD-CYBMUJFWSA-N -1 3 396.448 0.637 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)Nc1cccnc1 ZINC000442989028 598273270 /nfs/dbraw/zinc/27/32/70/598273270.db2.gz OEJZGMCWUZYDCU-UHFFFAOYSA-N -1 3 393.816 0.832 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)Nc1cccnc1 ZINC000442989028 598273272 /nfs/dbraw/zinc/27/32/72/598273272.db2.gz OEJZGMCWUZYDCU-UHFFFAOYSA-N -1 3 393.816 0.832 20 0 GCADHM CNC(=O)C1(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCCC1 ZINC000736869657 598273935 /nfs/dbraw/zinc/27/39/35/598273935.db2.gz DXOZTJUQCPKEEI-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM CNC(=O)C1(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCCC1 ZINC000736869657 598273936 /nfs/dbraw/zinc/27/39/36/598273936.db2.gz DXOZTJUQCPKEEI-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000735660249 598277292 /nfs/dbraw/zinc/27/72/92/598277292.db2.gz KFBKBEITLOMCRK-SNVBAGLBSA-N -1 3 381.462 0.979 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000735660249 598277293 /nfs/dbraw/zinc/27/72/93/598277293.db2.gz KFBKBEITLOMCRK-SNVBAGLBSA-N -1 3 381.462 0.979 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736659541 598280906 /nfs/dbraw/zinc/28/09/06/598280906.db2.gz SXKNLBDYTPCRMQ-UHFFFAOYSA-N -1 3 398.493 0.874 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736659541 598280908 /nfs/dbraw/zinc/28/09/08/598280908.db2.gz SXKNLBDYTPCRMQ-UHFFFAOYSA-N -1 3 398.493 0.874 20 0 GCADHM CN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736733901 598281380 /nfs/dbraw/zinc/28/13/80/598281380.db2.gz VNSJLLJJUVXBIA-QGZVFWFLSA-N -1 3 387.375 0.689 20 0 GCADHM CN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736733901 598281381 /nfs/dbraw/zinc/28/13/81/598281381.db2.gz VNSJLLJJUVXBIA-QGZVFWFLSA-N -1 3 387.375 0.689 20 0 GCADHM O=C(NCCCn1cccn1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738074298 598282623 /nfs/dbraw/zinc/28/26/23/598282623.db2.gz BZZKKAKDJXNJGN-UHFFFAOYSA-N -1 3 381.444 0.985 20 0 GCADHM O=C(NCCCn1cccn1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738074298 598282625 /nfs/dbraw/zinc/28/26/25/598282625.db2.gz BZZKKAKDJXNJGN-UHFFFAOYSA-N -1 3 381.444 0.985 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCN1CCCS1(=O)=O ZINC000736821013 598285344 /nfs/dbraw/zinc/28/53/44/598285344.db2.gz UBFQBKREBUPTSE-UHFFFAOYSA-N -1 3 393.473 0.434 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCN1CCCS1(=O)=O ZINC000736821013 598285346 /nfs/dbraw/zinc/28/53/46/598285346.db2.gz UBFQBKREBUPTSE-UHFFFAOYSA-N -1 3 393.473 0.434 20 0 GCADHM C[C@H](OC(=O)C1(C(=O)NC2CC2)CC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736147901 598287170 /nfs/dbraw/zinc/28/71/70/598287170.db2.gz ARSRBEUQFUXEAZ-JTQLQIEISA-N -1 3 384.396 0.796 20 0 GCADHM C[C@H](OC(=O)C1(C(=O)NC2CC2)CC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736147901 598287172 /nfs/dbraw/zinc/28/71/72/598287172.db2.gz ARSRBEUQFUXEAZ-JTQLQIEISA-N -1 3 384.396 0.796 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000737769640 598287224 /nfs/dbraw/zinc/28/72/24/598287224.db2.gz APCXSWKTNXTRFW-UHFFFAOYSA-N -1 3 391.277 0.328 20 0 GCADHM CCOC(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736586609 598287904 /nfs/dbraw/zinc/28/79/04/598287904.db2.gz NXXCJKGWCXMWPH-SNVBAGLBSA-N -1 3 382.398 0.276 20 0 GCADHM CCOC(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736586609 598287907 /nfs/dbraw/zinc/28/79/07/598287907.db2.gz NXXCJKGWCXMWPH-SNVBAGLBSA-N -1 3 382.398 0.276 20 0 GCADHM Cc1ccncc1NC(=O)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737443822 598290279 /nfs/dbraw/zinc/29/02/79/598290279.db2.gz KSEDJVSRLOOOIJ-UHFFFAOYSA-N -1 3 392.423 0.857 20 0 GCADHM Cc1ccncc1NC(=O)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737443822 598290281 /nfs/dbraw/zinc/29/02/81/598290281.db2.gz KSEDJVSRLOOOIJ-UHFFFAOYSA-N -1 3 392.423 0.857 20 0 GCADHM COCCNc1nnc(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737007821 598290352 /nfs/dbraw/zinc/29/03/52/598290352.db2.gz YPFMHOFUTYVMBR-UHFFFAOYSA-N -1 3 381.443 0.750 20 0 GCADHM COCCNc1nnc(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737007821 598290354 /nfs/dbraw/zinc/29/03/54/598290354.db2.gz YPFMHOFUTYVMBR-UHFFFAOYSA-N -1 3 381.443 0.750 20 0 GCADHM CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000735693049 598290545 /nfs/dbraw/zinc/29/05/45/598290545.db2.gz VUWKPHKZMZHNPS-INIZCTEOSA-N -1 3 386.412 0.995 20 0 GCADHM CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000735693049 598290546 /nfs/dbraw/zinc/29/05/46/598290546.db2.gz VUWKPHKZMZHNPS-INIZCTEOSA-N -1 3 386.412 0.995 20 0 GCADHM CC(C)CC(=O)N[C@H](C(=O)OCCn1ncc(-c2nnn[n-]2)c1N)C(C)C ZINC000735759640 598292838 /nfs/dbraw/zinc/29/28/38/598292838.db2.gz USCJMKXDSCNOCM-ZDUSSCGKSA-N -1 3 378.437 0.376 20 0 GCADHM CC(C)CC(=O)N[C@H](C(=O)OCCn1ncc(-c2nn[n-]n2)c1N)C(C)C ZINC000735759640 598292839 /nfs/dbraw/zinc/29/28/39/598292839.db2.gz USCJMKXDSCNOCM-ZDUSSCGKSA-N -1 3 378.437 0.376 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735458447 598293619 /nfs/dbraw/zinc/29/36/19/598293619.db2.gz NMLIPXVQHHFHKD-UHFFFAOYSA-N -1 3 387.448 0.326 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735458447 598293620 /nfs/dbraw/zinc/29/36/20/598293620.db2.gz NMLIPXVQHHFHKD-UHFFFAOYSA-N -1 3 387.448 0.326 20 0 GCADHM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735724353 598293905 /nfs/dbraw/zinc/29/39/05/598293905.db2.gz IORZAINRHCZWPJ-ZDUSSCGKSA-N -1 3 399.415 0.038 20 0 GCADHM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735724353 598293907 /nfs/dbraw/zinc/29/39/07/598293907.db2.gz IORZAINRHCZWPJ-ZDUSSCGKSA-N -1 3 399.415 0.038 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000735587584 598293943 /nfs/dbraw/zinc/29/39/43/598293943.db2.gz WDRWSYHVOXUJLE-NSHDSACASA-N -1 3 390.448 0.473 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000735587584 598293944 /nfs/dbraw/zinc/29/39/44/598293944.db2.gz WDRWSYHVOXUJLE-NSHDSACASA-N -1 3 390.448 0.473 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000738317172 598294005 /nfs/dbraw/zinc/29/40/05/598294005.db2.gz ZNAJRXLYBNESNR-OAHLLOKOSA-N -1 3 392.375 0.765 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CCn2ccccc2=O)C1=O ZINC000736221925 598294049 /nfs/dbraw/zinc/29/40/49/598294049.db2.gz CNJGRMKOWODLGS-SFHVURJKSA-N -1 3 379.380 0.496 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CCn2ccccc2=O)C1=O ZINC000736221925 598294050 /nfs/dbraw/zinc/29/40/50/598294050.db2.gz CNJGRMKOWODLGS-SFHVURJKSA-N -1 3 379.380 0.496 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCNC1=O ZINC000738086021 598294771 /nfs/dbraw/zinc/29/47/71/598294771.db2.gz RYKUPACJNFZCLM-CYBMUJFWSA-N -1 3 375.458 0.678 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCNC1=O ZINC000738086021 598294772 /nfs/dbraw/zinc/29/47/72/598294772.db2.gz RYKUPACJNFZCLM-CYBMUJFWSA-N -1 3 375.458 0.678 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cccn1Cc1ccncc1 ZINC000737773167 598295325 /nfs/dbraw/zinc/29/53/25/598295325.db2.gz JERBIYGOWGXLOC-UHFFFAOYSA-N -1 3 379.384 0.747 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cccn1Cc1ccncc1 ZINC000737773167 598295326 /nfs/dbraw/zinc/29/53/26/598295326.db2.gz JERBIYGOWGXLOC-UHFFFAOYSA-N -1 3 379.384 0.747 20 0 GCADHM C[C@]1(c2ccc(CNC(=O)c3cccc(-c4nnn[n-]4)c3)cc2)NC(=O)NC1=O ZINC000736225480 598297290 /nfs/dbraw/zinc/29/72/90/598297290.db2.gz YQORATKWVYXSSP-LJQANCHMSA-N -1 3 391.391 0.851 20 0 GCADHM C[C@]1(c2ccc(CNC(=O)c3cccc(-c4nn[n-]n4)c3)cc2)NC(=O)NC1=O ZINC000736225480 598297292 /nfs/dbraw/zinc/29/72/92/598297292.db2.gz YQORATKWVYXSSP-LJQANCHMSA-N -1 3 391.391 0.851 20 0 GCADHM COC(=O)[C@@H](C)CNC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736891768 598297496 /nfs/dbraw/zinc/29/74/96/598297496.db2.gz LBCWLKXRQHUPND-NSHDSACASA-N -1 3 377.401 0.960 20 0 GCADHM COC(=O)[C@@H](C)CNC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736891768 598297498 /nfs/dbraw/zinc/29/74/98/598297498.db2.gz LBCWLKXRQHUPND-NSHDSACASA-N -1 3 377.401 0.960 20 0 GCADHM CC(C)CNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000735836278 598300649 /nfs/dbraw/zinc/30/06/49/598300649.db2.gz XDZVACXVBDIWEG-LBPRGKRZSA-N -1 3 396.498 0.703 20 0 GCADHM CC(C)CNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000735836278 598300650 /nfs/dbraw/zinc/30/06/50/598300650.db2.gz XDZVACXVBDIWEG-LBPRGKRZSA-N -1 3 396.498 0.703 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738343599 598301019 /nfs/dbraw/zinc/30/10/19/598301019.db2.gz SEIWYBMPHGHEJZ-MNOVXSKESA-N -1 3 398.876 0.662 20 0 GCADHM CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736731332 598301094 /nfs/dbraw/zinc/30/10/94/598301094.db2.gz AFHBIZIIHGPNGC-GFCCVEGCSA-N -1 3 394.482 0.551 20 0 GCADHM CN(C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736731332 598301096 /nfs/dbraw/zinc/30/10/96/598301096.db2.gz AFHBIZIIHGPNGC-GFCCVEGCSA-N -1 3 394.482 0.551 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737165703 598301322 /nfs/dbraw/zinc/30/13/22/598301322.db2.gz LYGXOFIDVPXEEH-CYBMUJFWSA-N -1 3 382.421 0.436 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737165703 598301323 /nfs/dbraw/zinc/30/13/23/598301323.db2.gz LYGXOFIDVPXEEH-CYBMUJFWSA-N -1 3 382.421 0.436 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737165704 598302190 /nfs/dbraw/zinc/30/21/90/598302190.db2.gz LYGXOFIDVPXEEH-ZDUSSCGKSA-N -1 3 382.421 0.436 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737165704 598302193 /nfs/dbraw/zinc/30/21/93/598302193.db2.gz LYGXOFIDVPXEEH-ZDUSSCGKSA-N -1 3 382.421 0.436 20 0 GCADHM CNC(=O)CCCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736871829 598302562 /nfs/dbraw/zinc/30/25/62/598302562.db2.gz ZFUCFWFEBXOYLQ-UHFFFAOYSA-N -1 3 390.423 0.364 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737984355 598303738 /nfs/dbraw/zinc/30/37/38/598303738.db2.gz CHOLMUQJBQUWPT-UHFFFAOYSA-N -1 3 380.343 0.427 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737984355 598303740 /nfs/dbraw/zinc/30/37/40/598303740.db2.gz CHOLMUQJBQUWPT-UHFFFAOYSA-N -1 3 380.343 0.427 20 0 GCADHM Cc1noc([C@H](C)NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000737534829 598304300 /nfs/dbraw/zinc/30/43/00/598304300.db2.gz RFPNTWUAZOBULL-JTQLQIEISA-N -1 3 384.404 0.546 20 0 GCADHM Cc1noc([C@H](C)NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000737534829 598304302 /nfs/dbraw/zinc/30/43/02/598304302.db2.gz RFPNTWUAZOBULL-JTQLQIEISA-N -1 3 384.404 0.546 20 0 GCADHM Cc1noc([C@H](C)NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000737532396 598304405 /nfs/dbraw/zinc/30/44/05/598304405.db2.gz AUZJQUIWELQVSA-JTQLQIEISA-N -1 3 384.404 0.546 20 0 GCADHM Cc1noc([C@H](C)NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000737532396 598304407 /nfs/dbraw/zinc/30/44/07/598304407.db2.gz AUZJQUIWELQVSA-JTQLQIEISA-N -1 3 384.404 0.546 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000736397835 598304498 /nfs/dbraw/zinc/30/44/98/598304498.db2.gz WHCIWOOUOODMLC-MRXNPFEDSA-N -1 3 375.364 0.343 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000736397835 598304499 /nfs/dbraw/zinc/30/44/99/598304499.db2.gz WHCIWOOUOODMLC-MRXNPFEDSA-N -1 3 375.364 0.343 20 0 GCADHM O=C(NCCN1C(=O)Cc2ccccc21)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738074677 598306045 /nfs/dbraw/zinc/30/60/45/598306045.db2.gz HIEZNRQALVXWSH-UHFFFAOYSA-N -1 3 391.391 0.511 20 0 GCADHM O=C(NCCN1C(=O)Cc2ccccc21)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738074677 598306046 /nfs/dbraw/zinc/30/60/46/598306046.db2.gz HIEZNRQALVXWSH-UHFFFAOYSA-N -1 3 391.391 0.511 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000737765155 598307796 /nfs/dbraw/zinc/30/77/96/598307796.db2.gz NQWWSKIMUTUFCR-UHFFFAOYSA-N -1 3 382.402 0.645 20 0 GCADHM CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736886646 598308613 /nfs/dbraw/zinc/30/86/13/598308613.db2.gz IJFMUIZMBCZPRH-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM CNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736886646 598308614 /nfs/dbraw/zinc/30/86/14/598308614.db2.gz IJFMUIZMBCZPRH-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM CN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)c1ncnc2nc[nH]c21 ZINC000736784118 598308782 /nfs/dbraw/zinc/30/87/82/598308782.db2.gz QWOBMHHJMSHXBS-UHFFFAOYSA-N -1 3 382.363 0.425 20 0 GCADHM NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737758589 598309056 /nfs/dbraw/zinc/30/90/56/598309056.db2.gz NQVIZULDJQOJTP-OAHLLOKOSA-N -1 3 383.387 0.902 20 0 GCADHM NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737758589 598309058 /nfs/dbraw/zinc/30/90/58/598309058.db2.gz NQVIZULDJQOJTP-OAHLLOKOSA-N -1 3 383.387 0.902 20 0 GCADHM NS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cs1 ZINC000737764209 598309179 /nfs/dbraw/zinc/30/91/79/598309179.db2.gz GLJDNQKUYNBWRB-UHFFFAOYSA-N -1 3 382.402 0.645 20 0 GCADHM O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737931243 598309740 /nfs/dbraw/zinc/30/97/40/598309740.db2.gz GDFUMYGZFMJYQK-LLVKDONJSA-N -1 3 385.446 0.542 20 0 GCADHM O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737931243 598309742 /nfs/dbraw/zinc/30/97/42/598309742.db2.gz GDFUMYGZFMJYQK-LLVKDONJSA-N -1 3 385.446 0.542 20 0 GCADHM COc1ncnc(OC)c1C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737162393 598322157 /nfs/dbraw/zinc/32/21/57/598322157.db2.gz QNCQPZCFULYBDD-UHFFFAOYSA-N -1 3 385.340 0.469 20 0 GCADHM COc1ncnc(OC)c1C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737162393 598322160 /nfs/dbraw/zinc/32/21/60/598322160.db2.gz QNCQPZCFULYBDD-UHFFFAOYSA-N -1 3 385.340 0.469 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737490779 598323103 /nfs/dbraw/zinc/32/31/03/598323103.db2.gz XHYXPRFSWUSCEK-UHFFFAOYSA-N -1 3 396.390 0.501 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737490779 598323104 /nfs/dbraw/zinc/32/31/04/598323104.db2.gz XHYXPRFSWUSCEK-UHFFFAOYSA-N -1 3 396.390 0.501 20 0 GCADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735467570 598329746 /nfs/dbraw/zinc/32/97/46/598329746.db2.gz QQESUMKFFNABFH-INIZCTEOSA-N -1 3 392.423 0.768 20 0 GCADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735467570 598329747 /nfs/dbraw/zinc/32/97/47/598329747.db2.gz QQESUMKFFNABFH-INIZCTEOSA-N -1 3 392.423 0.768 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000737289808 598330318 /nfs/dbraw/zinc/33/03/18/598330318.db2.gz TUIVLSXONYLWAJ-QWHCGFSZSA-N -1 3 387.444 0.339 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000737289808 598330320 /nfs/dbraw/zinc/33/03/20/598330320.db2.gz TUIVLSXONYLWAJ-QWHCGFSZSA-N -1 3 387.444 0.339 20 0 GCADHM O=C(CCC1CCCC1)NCC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737823873 598332297 /nfs/dbraw/zinc/33/22/97/598332297.db2.gz LUQRVFXYOICVCJ-UHFFFAOYSA-N -1 3 386.460 0.876 20 0 GCADHM O=C(CCC1CCCC1)NCC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737823873 598332298 /nfs/dbraw/zinc/33/22/98/598332298.db2.gz LUQRVFXYOICVCJ-UHFFFAOYSA-N -1 3 386.460 0.876 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000737744467 598332361 /nfs/dbraw/zinc/33/23/61/598332361.db2.gz KPQRQLXXFSWFNI-CQSZACIVSA-N -1 3 398.379 0.365 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000737744467 598332363 /nfs/dbraw/zinc/33/23/63/598332363.db2.gz KPQRQLXXFSWFNI-CQSZACIVSA-N -1 3 398.379 0.365 20 0 GCADHM Cc1nc(SCC(=O)NC[C@@H]2CN(C)CCO2)c(-c2nnn[n-]2)c(C)c1C ZINC000737482674 598332395 /nfs/dbraw/zinc/33/23/95/598332395.db2.gz KMFVKHWHXKQMIC-CYBMUJFWSA-N -1 3 391.501 0.726 20 0 GCADHM Cc1nc(SCC(=O)NC[C@@H]2CN(C)CCO2)c(-c2nn[n-]n2)c(C)c1C ZINC000737482674 598332397 /nfs/dbraw/zinc/33/23/97/598332397.db2.gz KMFVKHWHXKQMIC-CYBMUJFWSA-N -1 3 391.501 0.726 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000736935202 598333348 /nfs/dbraw/zinc/33/33/48/598333348.db2.gz GLCHRGGRIPFHHO-GFCCVEGCSA-N -1 3 390.400 0.601 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000736935202 598333350 /nfs/dbraw/zinc/33/33/50/598333350.db2.gz GLCHRGGRIPFHHO-GFCCVEGCSA-N -1 3 390.400 0.601 20 0 GCADHM CC(C)N1C(=O)CN(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1=O ZINC000735875866 598334014 /nfs/dbraw/zinc/33/40/14/598334014.db2.gz SBUFUJKLPNWCDR-UHFFFAOYSA-N -1 3 385.432 0.014 20 0 GCADHM CC(C)N1C(=O)CN(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1=O ZINC000735875866 598334016 /nfs/dbraw/zinc/33/40/16/598334016.db2.gz SBUFUJKLPNWCDR-UHFFFAOYSA-N -1 3 385.432 0.014 20 0 GCADHM C[C@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)CCN1c1nccn2cnnc12 ZINC000820742920 607350353 /nfs/dbraw/zinc/35/03/53/607350353.db2.gz NSYUZZHXPNASED-JTQLQIEISA-N -1 3 396.440 0.717 20 0 GCADHM C[C@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)CCN1c1nccn2cnnc12 ZINC000820742920 607350354 /nfs/dbraw/zinc/35/03/54/607350354.db2.gz NSYUZZHXPNASED-JTQLQIEISA-N -1 3 396.440 0.717 20 0 GCADHM CC[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)CCO1 ZINC000736406367 598334249 /nfs/dbraw/zinc/33/42/49/598334249.db2.gz KGYXJQWYXPFZIQ-CQSZACIVSA-N -1 3 385.428 0.699 20 0 GCADHM CC[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)CCO1 ZINC000736406367 598334251 /nfs/dbraw/zinc/33/42/51/598334251.db2.gz KGYXJQWYXPFZIQ-CQSZACIVSA-N -1 3 385.428 0.699 20 0 GCADHM COC1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)CC1 ZINC000736966151 598335035 /nfs/dbraw/zinc/33/50/35/598335035.db2.gz LRNGWUYQZUGQCA-UHFFFAOYSA-N -1 3 385.428 0.699 20 0 GCADHM CN(Cc1cnn(C)c1)CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736831270 598335368 /nfs/dbraw/zinc/33/53/68/598335368.db2.gz KBPXAAXQJBGYTI-UHFFFAOYSA-N -1 3 395.427 0.454 20 0 GCADHM CN(Cc1cnn(C)c1)CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736831270 598335369 /nfs/dbraw/zinc/33/53/69/598335369.db2.gz KBPXAAXQJBGYTI-UHFFFAOYSA-N -1 3 395.427 0.454 20 0 GCADHM c1cnc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c(-c2nnn[n-]2)n1 ZINC000738446067 598340513 /nfs/dbraw/zinc/34/05/13/598340513.db2.gz SVEZMSAZBYCKRM-UHFFFAOYSA-N -1 3 380.412 0.750 20 0 GCADHM c1cnc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c(-c2nn[n-]n2)n1 ZINC000738446067 598340515 /nfs/dbraw/zinc/34/05/15/598340515.db2.gz SVEZMSAZBYCKRM-UHFFFAOYSA-N -1 3 380.412 0.750 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(CC(=O)Nc1sccc1-c1nnn[n-]1)C2 ZINC000736774589 598340989 /nfs/dbraw/zinc/34/09/89/598340989.db2.gz VJIYQYCRYLKUKX-UHFFFAOYSA-N -1 3 385.457 0.781 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(CC(=O)Nc1sccc1-c1nn[n-]n1)C2 ZINC000736774589 598340991 /nfs/dbraw/zinc/34/09/91/598340991.db2.gz VJIYQYCRYLKUKX-UHFFFAOYSA-N -1 3 385.457 0.781 20 0 GCADHM COc1cc2c(nn1)CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)C2 ZINC000737056614 598341570 /nfs/dbraw/zinc/34/15/70/598341570.db2.gz XMSICAHOSVSWNI-UHFFFAOYSA-N -1 3 384.400 0.872 20 0 GCADHM O=C(CN1CCCN(c2cccnn2)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737871816 598342402 /nfs/dbraw/zinc/34/24/02/598342402.db2.gz BHOCRNXKNKMWPW-UHFFFAOYSA-N -1 3 385.457 0.869 20 0 GCADHM O=C(CN1CCCN(c2cccnn2)CC1)Nc1sccc1-c1nn[n-]n1 ZINC000737871816 598342404 /nfs/dbraw/zinc/34/24/04/598342404.db2.gz BHOCRNXKNKMWPW-UHFFFAOYSA-N -1 3 385.457 0.869 20 0 GCADHM CCOCCN1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000736617186 598343579 /nfs/dbraw/zinc/34/35/79/598343579.db2.gz AXQACSJPKQPOAW-UHFFFAOYSA-N -1 3 377.449 0.669 20 0 GCADHM CCOCCN1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000736617186 598343582 /nfs/dbraw/zinc/34/35/82/598343582.db2.gz AXQACSJPKQPOAW-UHFFFAOYSA-N -1 3 377.449 0.669 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736284789 598344407 /nfs/dbraw/zinc/34/44/07/598344407.db2.gz GEBMXYZBCFBKTH-RHSMWYFYSA-N -1 3 385.472 0.344 20 0 GCADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736284653 598344834 /nfs/dbraw/zinc/34/48/34/598344834.db2.gz CFQLQGVUEVNUJS-WMLDXEAASA-N -1 3 385.472 0.344 20 0 GCADHM Cc1nnc2n1CCN(C(=O)c1ccc(-n3ncc(-c4nnn[n-]4)c3N)cc1)C2 ZINC000737533668 598346152 /nfs/dbraw/zinc/34/61/52/598346152.db2.gz QADCQVIDLXUBFK-UHFFFAOYSA-N -1 3 391.399 0.191 20 0 GCADHM Cc1nnc2n1CCN(C(=O)c1ccc(-n3ncc(-c4nn[n-]n4)c3N)cc1)C2 ZINC000737533668 598346153 /nfs/dbraw/zinc/34/61/53/598346153.db2.gz QADCQVIDLXUBFK-UHFFFAOYSA-N -1 3 391.399 0.191 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000735563328 598352208 /nfs/dbraw/zinc/35/22/08/598352208.db2.gz SVZYIIMPHXYDLB-ZIAGYGMSSA-N -1 3 382.428 0.791 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000735563328 598352210 /nfs/dbraw/zinc/35/22/10/598352210.db2.gz SVZYIIMPHXYDLB-ZIAGYGMSSA-N -1 3 382.428 0.791 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@H]1C ZINC000736131802 598355664 /nfs/dbraw/zinc/35/56/64/598355664.db2.gz SCAFDONQZIWLBJ-VXGBXAGGSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1C ZINC000736131802 598355666 /nfs/dbraw/zinc/35/56/66/598355666.db2.gz SCAFDONQZIWLBJ-VXGBXAGGSA-N -1 3 378.458 0.935 20 0 GCADHM Cc1nnc(CN2CCN(CCOc3ccc(-c4nn[n-]n4)cc3)CC2)n1C ZINC000737520275 598357272 /nfs/dbraw/zinc/35/72/72/598357272.db2.gz GWCUAZLASLSGTN-UHFFFAOYSA-N -1 3 383.460 0.500 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000736185067 598361824 /nfs/dbraw/zinc/36/18/24/598361824.db2.gz SKURXOQXZBWLAW-AWEZNQCLSA-N -1 3 396.455 0.712 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000736185067 598361826 /nfs/dbraw/zinc/36/18/26/598361826.db2.gz SKURXOQXZBWLAW-AWEZNQCLSA-N -1 3 396.455 0.712 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000737290463 598363378 /nfs/dbraw/zinc/36/33/78/598363378.db2.gz VZVCSDMVEZJZAZ-UHFFFAOYSA-N -1 3 393.407 0.571 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000737290463 598363380 /nfs/dbraw/zinc/36/33/80/598363380.db2.gz VZVCSDMVEZJZAZ-UHFFFAOYSA-N -1 3 393.407 0.571 20 0 GCADHM O=C(CN1CCCN(c2cccnn2)CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737874770 598365249 /nfs/dbraw/zinc/36/52/49/598365249.db2.gz ZEAWVTYWOQKRTD-UHFFFAOYSA-N -1 3 393.455 0.485 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CCO2)n1 ZINC000737473209 598368007 /nfs/dbraw/zinc/36/80/07/598368007.db2.gz AJNMCSDVLUZUQK-MRXNPFEDSA-N -1 3 397.443 0.415 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CCO2)n1 ZINC000737473209 598368009 /nfs/dbraw/zinc/36/80/09/598368009.db2.gz AJNMCSDVLUZUQK-MRXNPFEDSA-N -1 3 397.443 0.415 20 0 GCADHM Cc1cnn(C[C@H]2CN(C[C@@H](O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737441705 598368199 /nfs/dbraw/zinc/36/81/99/598368199.db2.gz AGCJMLCVHHPELA-SJLPKXTDSA-N -1 3 399.455 0.512 20 0 GCADHM O=C1[C@H](N2CCO[C@H](Cn3cccn3)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738290192 598368756 /nfs/dbraw/zinc/36/87/56/598368756.db2.gz NSIQQPCUGBCYKU-DLBZAZTESA-N -1 3 394.439 0.570 20 0 GCADHM O=C1[C@H](N2CCO[C@H](Cn3cccn3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738290192 598368757 /nfs/dbraw/zinc/36/87/57/598368757.db2.gz NSIQQPCUGBCYKU-DLBZAZTESA-N -1 3 394.439 0.570 20 0 GCADHM O=C1[C@@H](N2CCO[C@@H](Cn3cccn3)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738290201 598369137 /nfs/dbraw/zinc/36/91/37/598369137.db2.gz NSIQQPCUGBCYKU-SJORKVTESA-N -1 3 394.439 0.570 20 0 GCADHM O=C1[C@@H](N2CCO[C@@H](Cn3cccn3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738290201 598369139 /nfs/dbraw/zinc/36/91/39/598369139.db2.gz NSIQQPCUGBCYKU-SJORKVTESA-N -1 3 394.439 0.570 20 0 GCADHM O=C(CN1CCCNC(=O)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000738301775 598370018 /nfs/dbraw/zinc/37/00/18/598370018.db2.gz AGZAAHRQDIPRTN-UHFFFAOYSA-N -1 3 389.485 0.958 20 0 GCADHM O=C(CN1CCCNC(=O)C1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000738301775 598370020 /nfs/dbraw/zinc/37/00/20/598370020.db2.gz AGZAAHRQDIPRTN-UHFFFAOYSA-N -1 3 389.485 0.958 20 0 GCADHM CNC(=O)C1(C(=O)O[C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736869666 598371364 /nfs/dbraw/zinc/37/13/64/598371364.db2.gz FAVQUBKSACYZIO-MRVPVSSYSA-N -1 3 392.803 0.917 20 0 GCADHM CNC(=O)C1(C(=O)O[C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736869666 598371365 /nfs/dbraw/zinc/37/13/65/598371365.db2.gz FAVQUBKSACYZIO-MRVPVSSYSA-N -1 3 392.803 0.917 20 0 GCADHM Cc1nnc2ccc(C(=O)OCC(=O)NCc3cccc(-c4nnn[n-]4)c3)cn12 ZINC000737535124 598371630 /nfs/dbraw/zinc/37/16/30/598371630.db2.gz ZIOJKSHHKXUIIH-UHFFFAOYSA-N -1 3 392.379 0.691 20 0 GCADHM Cc1nnc2ccc(C(=O)OCC(=O)NCc3cccc(-c4nn[n-]n4)c3)cn12 ZINC000737535124 598371632 /nfs/dbraw/zinc/37/16/32/598371632.db2.gz ZIOJKSHHKXUIIH-UHFFFAOYSA-N -1 3 392.379 0.691 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@H]1CCCOC1 ZINC000738138971 598374857 /nfs/dbraw/zinc/37/48/57/598374857.db2.gz JKSUUYBZFBUWLB-VIFPVBQESA-N -1 3 382.327 0.702 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@H]1CCCOC1 ZINC000738138971 598374855 /nfs/dbraw/zinc/37/48/55/598374855.db2.gz JKSUUYBZFBUWLB-VIFPVBQESA-N -1 3 382.327 0.702 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736610235 598377296 /nfs/dbraw/zinc/37/72/96/598377296.db2.gz VIFZYGMTPWXDSO-XITLMJRVSA-N -1 3 386.456 0.422 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736610235 598377298 /nfs/dbraw/zinc/37/72/98/598377298.db2.gz VIFZYGMTPWXDSO-XITLMJRVSA-N -1 3 386.456 0.422 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000738196718 598380422 /nfs/dbraw/zinc/38/04/22/598380422.db2.gz ZTIUILXBYKQNBW-UHFFFAOYSA-N -1 3 385.409 0.476 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000738196718 598380423 /nfs/dbraw/zinc/38/04/23/598380423.db2.gz ZTIUILXBYKQNBW-UHFFFAOYSA-N -1 3 385.409 0.476 20 0 GCADHM CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1 ZINC000735893390 598381242 /nfs/dbraw/zinc/38/12/42/598381242.db2.gz WSWWQFMMQHOANL-UHFFFAOYSA-N -1 3 387.425 0.623 20 0 GCADHM CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1 ZINC000735893390 598381244 /nfs/dbraw/zinc/38/12/44/598381244.db2.gz WSWWQFMMQHOANL-UHFFFAOYSA-N -1 3 387.425 0.623 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccncc2-c2nnn[n-]2)no1 ZINC000737272726 598381674 /nfs/dbraw/zinc/38/16/74/598381674.db2.gz YGPMZWZUGNOUNI-VIFPVBQESA-N -1 3 388.413 0.679 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccncc2-c2nn[n-]n2)no1 ZINC000737272726 598381675 /nfs/dbraw/zinc/38/16/75/598381675.db2.gz YGPMZWZUGNOUNI-VIFPVBQESA-N -1 3 388.413 0.679 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(Cc3nccn3C)CC2)c(-c2nnn[n-]2)c1C ZINC000737551844 598383698 /nfs/dbraw/zinc/38/36/98/598383698.db2.gz JRQWXAVHJKBZNI-UHFFFAOYSA-N -1 3 399.459 0.566 20 0 GCADHM c1cnc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)c(-c2nnn[n-]2)c1 ZINC000738446394 598385991 /nfs/dbraw/zinc/38/59/91/598385991.db2.gz YIANRUJQVBXCEH-UHFFFAOYSA-N -1 3 378.444 0.979 20 0 GCADHM c1cnc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)c(-c2nn[n-]n2)c1 ZINC000738446394 598385993 /nfs/dbraw/zinc/38/59/93/598385993.db2.gz YIANRUJQVBXCEH-UHFFFAOYSA-N -1 3 378.444 0.979 20 0 GCADHM COC(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736947031 598398791 /nfs/dbraw/zinc/39/87/91/598398791.db2.gz AUWURZZGQIKSOM-UHFFFAOYSA-N -1 3 394.391 0.700 20 0 GCADHM COC(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736947031 598398793 /nfs/dbraw/zinc/39/87/93/598398793.db2.gz AUWURZZGQIKSOM-UHFFFAOYSA-N -1 3 394.391 0.700 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2ccccn21 ZINC000736107339 598399283 /nfs/dbraw/zinc/39/92/83/598399283.db2.gz YHHYAXSOZHXPGH-NSHDSACASA-N -1 3 391.395 0.517 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2ccccn21 ZINC000736107339 598399284 /nfs/dbraw/zinc/39/92/84/598399284.db2.gz YHHYAXSOZHXPGH-NSHDSACASA-N -1 3 391.395 0.517 20 0 GCADHM CNC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736877851 598399521 /nfs/dbraw/zinc/39/95/21/598399521.db2.gz PTQYPLHLWLGHAS-UHFFFAOYSA-N -1 3 379.380 0.595 20 0 GCADHM CNC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736877851 598399523 /nfs/dbraw/zinc/39/95/23/598399523.db2.gz PTQYPLHLWLGHAS-UHFFFAOYSA-N -1 3 379.380 0.595 20 0 GCADHM CCNC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736577165 598399617 /nfs/dbraw/zinc/39/96/17/598399617.db2.gz DATDEVWZUFRARB-UHFFFAOYSA-N -1 3 393.407 0.985 20 0 GCADHM CCNC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736577165 598399619 /nfs/dbraw/zinc/39/96/19/598399619.db2.gz DATDEVWZUFRARB-UHFFFAOYSA-N -1 3 393.407 0.985 20 0 GCADHM COC(=O)Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736931559 598399976 /nfs/dbraw/zinc/39/99/76/598399976.db2.gz YYJIDVCCSCFJKO-UHFFFAOYSA-N -1 3 394.391 0.951 20 0 GCADHM COC(=O)Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736931559 598399979 /nfs/dbraw/zinc/39/99/79/598399979.db2.gz YYJIDVCCSCFJKO-UHFFFAOYSA-N -1 3 394.391 0.951 20 0 GCADHM CCCC(=O)N1CCCC[C@@H]1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736410918 598400265 /nfs/dbraw/zinc/40/02/65/598400265.db2.gz IHTDYCPJRCKPPX-CQSZACIVSA-N -1 3 386.460 0.971 20 0 GCADHM CCCC(=O)N1CCCC[C@@H]1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736410918 598400266 /nfs/dbraw/zinc/40/02/66/598400266.db2.gz IHTDYCPJRCKPPX-CQSZACIVSA-N -1 3 386.460 0.971 20 0 GCADHM NC(=O)COc1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737754439 598400401 /nfs/dbraw/zinc/40/04/01/598400401.db2.gz UMTNUJMIJNJSCV-UHFFFAOYSA-N -1 3 395.379 0.099 20 0 GCADHM NC(=O)COc1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737754439 598400402 /nfs/dbraw/zinc/40/04/02/598400402.db2.gz UMTNUJMIJNJSCV-UHFFFAOYSA-N -1 3 395.379 0.099 20 0 GCADHM Cc1ncc2c(n1)CC[C@@H](NC(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737500811 598400449 /nfs/dbraw/zinc/40/04/49/598400449.db2.gz QFNJZEDHKCDPLD-OAHLLOKOSA-N -1 3 392.423 0.369 20 0 GCADHM Cc1ncc2c(n1)CC[C@@H](NC(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737500811 598400450 /nfs/dbraw/zinc/40/04/50/598400450.db2.gz QFNJZEDHKCDPLD-OAHLLOKOSA-N -1 3 392.423 0.369 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1cn2ccccc2n1 ZINC000737889114 598400592 /nfs/dbraw/zinc/40/05/92/598400592.db2.gz KADXFJYGDQRJBS-UHFFFAOYSA-N -1 3 390.407 0.603 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1cn2ccccc2n1 ZINC000737889114 598400594 /nfs/dbraw/zinc/40/05/94/598400594.db2.gz KADXFJYGDQRJBS-UHFFFAOYSA-N -1 3 390.407 0.603 20 0 GCADHM CN(C)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736773437 598401570 /nfs/dbraw/zinc/40/15/70/598401570.db2.gz MHHRCTKQBNJFJS-UHFFFAOYSA-N -1 3 380.412 0.374 20 0 GCADHM CN(C)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736773437 598401571 /nfs/dbraw/zinc/40/15/71/598401571.db2.gz MHHRCTKQBNJFJS-UHFFFAOYSA-N -1 3 380.412 0.374 20 0 GCADHM CC(C)c1noc(CCCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735952028 598403792 /nfs/dbraw/zinc/40/37/92/598403792.db2.gz CCSAKFNEZLDBCS-UHFFFAOYSA-N -1 3 398.427 0.852 20 0 GCADHM CC(C)c1noc(CCCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735952028 598403794 /nfs/dbraw/zinc/40/37/94/598403794.db2.gz CCSAKFNEZLDBCS-UHFFFAOYSA-N -1 3 398.427 0.852 20 0 GCADHM COc1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(OC)n1 ZINC000737102525 598406485 /nfs/dbraw/zinc/40/64/85/598406485.db2.gz OEJIGPNYNXBEAZ-UHFFFAOYSA-N -1 3 383.368 0.647 20 0 GCADHM COc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(OC)n1 ZINC000737102525 598406487 /nfs/dbraw/zinc/40/64/87/598406487.db2.gz OEJIGPNYNXBEAZ-UHFFFAOYSA-N -1 3 383.368 0.647 20 0 GCADHM Cn1c(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)nc2ccccc21 ZINC000737592555 598408948 /nfs/dbraw/zinc/40/89/48/598408948.db2.gz QQOQJLBIDVCAHY-UHFFFAOYSA-N -1 3 390.407 0.800 20 0 GCADHM Cn1c(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)nc2ccccc21 ZINC000737592555 598408950 /nfs/dbraw/zinc/40/89/50/598408950.db2.gz QQOQJLBIDVCAHY-UHFFFAOYSA-N -1 3 390.407 0.800 20 0 GCADHM C[C@@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736269480 598409149 /nfs/dbraw/zinc/40/91/49/598409149.db2.gz XBQMHBZOBDYBMJ-GFCCVEGCSA-N -1 3 386.412 0.541 20 0 GCADHM C[C@@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736269480 598409150 /nfs/dbraw/zinc/40/91/50/598409150.db2.gz XBQMHBZOBDYBMJ-GFCCVEGCSA-N -1 3 386.412 0.541 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735467781 598409850 /nfs/dbraw/zinc/40/98/50/598409850.db2.gz XUEFKAMQKOUIOQ-LBPRGKRZSA-N -1 3 376.398 0.270 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735467781 598409852 /nfs/dbraw/zinc/40/98/52/598409852.db2.gz XUEFKAMQKOUIOQ-LBPRGKRZSA-N -1 3 376.398 0.270 20 0 GCADHM NC(=O)c1cccc(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737760189 598410553 /nfs/dbraw/zinc/41/05/53/598410553.db2.gz IDYBSWBZLIEKCN-UHFFFAOYSA-N -1 3 380.364 0.439 20 0 GCADHM NC(=O)c1cccc(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737760189 598410555 /nfs/dbraw/zinc/41/05/55/598410555.db2.gz IDYBSWBZLIEKCN-UHFFFAOYSA-N -1 3 380.364 0.439 20 0 GCADHM CCCCCNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736452480 598411125 /nfs/dbraw/zinc/41/11/25/598411125.db2.gz WICHCWUEKNOXTE-LBPRGKRZSA-N -1 3 388.428 0.835 20 0 GCADHM CCCCCNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736452480 598411127 /nfs/dbraw/zinc/41/11/27/598411127.db2.gz WICHCWUEKNOXTE-LBPRGKRZSA-N -1 3 388.428 0.835 20 0 GCADHM NC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737759300 598411608 /nfs/dbraw/zinc/41/16/08/598411608.db2.gz JYZSWTTUAKITEG-UHFFFAOYSA-N -1 3 380.364 0.439 20 0 GCADHM NC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737759300 598411609 /nfs/dbraw/zinc/41/16/09/598411609.db2.gz JYZSWTTUAKITEG-UHFFFAOYSA-N -1 3 380.364 0.439 20 0 GCADHM O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737984228 598415145 /nfs/dbraw/zinc/41/51/45/598415145.db2.gz AETYPOHVTRJZPJ-UHFFFAOYSA-N -1 3 397.786 0.901 20 0 GCADHM O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737984228 598415146 /nfs/dbraw/zinc/41/51/46/598415146.db2.gz AETYPOHVTRJZPJ-UHFFFAOYSA-N -1 3 397.786 0.901 20 0 GCADHM C[C@@H](CC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C1CCCC1 ZINC000735973592 598419317 /nfs/dbraw/zinc/41/93/17/598419317.db2.gz BIWAIWGMSSUUNI-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@@H](CC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C1CCCC1 ZINC000735973592 598419318 /nfs/dbraw/zinc/41/93/18/598419318.db2.gz BIWAIWGMSSUUNI-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000738102398 598420174 /nfs/dbraw/zinc/42/01/74/598420174.db2.gz RGYRUBPGWYSPRA-MRXNPFEDSA-N -1 3 399.455 0.647 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000738102398 598420176 /nfs/dbraw/zinc/42/01/76/598420176.db2.gz RGYRUBPGWYSPRA-MRXNPFEDSA-N -1 3 399.455 0.647 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000738110468 598420254 /nfs/dbraw/zinc/42/02/54/598420254.db2.gz CXLKLWZBHSCGPX-MRXNPFEDSA-N -1 3 399.455 0.647 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000738110468 598420255 /nfs/dbraw/zinc/42/02/55/598420255.db2.gz CXLKLWZBHSCGPX-MRXNPFEDSA-N -1 3 399.455 0.647 20 0 GCADHM Cc1oc(NC(=O)CN2CCC[C@@H](CCC(N)=O)C2)c(-c2nnn[n-]2)c1C ZINC000737551487 598422250 /nfs/dbraw/zinc/42/22/50/598422250.db2.gz HRKUTUHMGQCBLZ-LBPRGKRZSA-N -1 3 375.433 0.993 20 0 GCADHM Cc1oc(NC(=O)CN2CCC[C@@H](CCC(N)=O)C2)c(-c2nn[n-]n2)c1C ZINC000737551487 598422252 /nfs/dbraw/zinc/42/22/52/598422252.db2.gz HRKUTUHMGQCBLZ-LBPRGKRZSA-N -1 3 375.433 0.993 20 0 GCADHM O=S(=O)(CCNc1c(F)cc(-c2nnn[n-]2)cc1F)N1CCSCC1 ZINC000738331401 598426632 /nfs/dbraw/zinc/42/66/32/598426632.db2.gz RZFHUSZHTDCUIB-UHFFFAOYSA-N -1 3 390.441 0.935 20 0 GCADHM O=S(=O)(CCNc1c(F)cc(-c2nn[n-]n2)cc1F)N1CCSCC1 ZINC000738331401 598426634 /nfs/dbraw/zinc/42/66/34/598426634.db2.gz RZFHUSZHTDCUIB-UHFFFAOYSA-N -1 3 390.441 0.935 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)C[C@@H]2CN(C)CCO2)c(-c2nnn[n-]2)c1C ZINC000737547277 598427509 /nfs/dbraw/zinc/42/75/09/598427509.db2.gz JPPTVZWKVIRSFB-YPMHNXCESA-N -1 3 377.449 0.666 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)C[C@@H]2CN(C)CCO2)c(-c2nn[n-]n2)c1C ZINC000737547277 598427511 /nfs/dbraw/zinc/42/75/11/598427511.db2.gz JPPTVZWKVIRSFB-YPMHNXCESA-N -1 3 377.449 0.666 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C[C@H](C)O1 ZINC000736282576 598430897 /nfs/dbraw/zinc/43/08/97/598430897.db2.gz YRWUJLIJDIXGEB-IYBDPMFKSA-N -1 3 399.499 0.620 20 0 GCADHM CCCNC(=S)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736487061 598431261 /nfs/dbraw/zinc/43/12/61/598431261.db2.gz AZVQANSIWDFZCE-UHFFFAOYSA-N -1 3 395.514 0.458 20 0 GCADHM CCCNC(=S)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736487061 598431262 /nfs/dbraw/zinc/43/12/62/598431262.db2.gz AZVQANSIWDFZCE-UHFFFAOYSA-N -1 3 395.514 0.458 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)Cn1cccn1 ZINC000736019485 598434014 /nfs/dbraw/zinc/43/40/14/598434014.db2.gz GMCMMXDWKPEJBF-LBPRGKRZSA-N -1 3 392.427 0.897 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)Cn1cccn1 ZINC000736019485 598434017 /nfs/dbraw/zinc/43/40/17/598434017.db2.gz GMCMMXDWKPEJBF-LBPRGKRZSA-N -1 3 392.427 0.897 20 0 GCADHM COC(=O)[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(C)C ZINC000736895402 598434358 /nfs/dbraw/zinc/43/43/58/598434358.db2.gz IQLNLFUSJJVSQU-CYBMUJFWSA-N -1 3 384.400 0.562 20 0 GCADHM COC(=O)[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(C)C ZINC000736895402 598434359 /nfs/dbraw/zinc/43/43/59/598434359.db2.gz IQLNLFUSJJVSQU-CYBMUJFWSA-N -1 3 384.400 0.562 20 0 GCADHM CCCNC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736483793 598436152 /nfs/dbraw/zinc/43/61/52/598436152.db2.gz PCBWSZQIOOZDSJ-UHFFFAOYSA-N -1 3 383.416 0.281 20 0 GCADHM CCCNC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736483793 598436153 /nfs/dbraw/zinc/43/61/53/598436153.db2.gz PCBWSZQIOOZDSJ-UHFFFAOYSA-N -1 3 383.416 0.281 20 0 GCADHM CCN(CC)C(=O)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736529734 598436221 /nfs/dbraw/zinc/43/62/21/598436221.db2.gz QKUVQQPUPDFNJQ-UHFFFAOYSA-N -1 3 383.416 0.233 20 0 GCADHM CCN(CC)C(=O)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736529734 598436222 /nfs/dbraw/zinc/43/62/22/598436222.db2.gz QKUVQQPUPDFNJQ-UHFFFAOYSA-N -1 3 383.416 0.233 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCC(=O)NC2CCCC2)cc1 ZINC000737776721 598436796 /nfs/dbraw/zinc/43/67/96/598436796.db2.gz QKSRAORYFSCAKO-UHFFFAOYSA-N -1 3 395.427 0.423 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCC(=O)NC2CCCC2)cc1 ZINC000737776721 598436798 /nfs/dbraw/zinc/43/67/98/598436798.db2.gz QKSRAORYFSCAKO-UHFFFAOYSA-N -1 3 395.427 0.423 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000737778274 598437268 /nfs/dbraw/zinc/43/72/68/598437268.db2.gz YMNBGYCYOMKAQA-UHFFFAOYSA-N -1 3 379.428 0.555 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCN(C3CC3)CC2)cc1 ZINC000737778274 598437269 /nfs/dbraw/zinc/43/72/69/598437269.db2.gz YMNBGYCYOMKAQA-UHFFFAOYSA-N -1 3 379.428 0.555 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738052189 598438722 /nfs/dbraw/zinc/43/87/22/598438722.db2.gz RYPYLUBQOIFUPZ-MRXNPFEDSA-N -1 3 379.424 0.893 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738052189 598438724 /nfs/dbraw/zinc/43/87/24/598438724.db2.gz RYPYLUBQOIFUPZ-MRXNPFEDSA-N -1 3 379.424 0.893 20 0 GCADHM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nnn[n-]3)cn1)C[C@H]2O ZINC000737109577 598440227 /nfs/dbraw/zinc/44/02/27/598440227.db2.gz JTTYOUZEGCPUDP-CYBMUJFWSA-N -1 3 382.380 0.968 20 0 GCADHM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nn[n-]n3)cn1)C[C@H]2O ZINC000737109577 598440228 /nfs/dbraw/zinc/44/02/28/598440228.db2.gz JTTYOUZEGCPUDP-CYBMUJFWSA-N -1 3 382.380 0.968 20 0 GCADHM O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738186403 598441191 /nfs/dbraw/zinc/44/11/91/598441191.db2.gz YKVSNUJOGCVYLI-UHFFFAOYSA-N -1 3 385.409 0.955 20 0 GCADHM O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738186403 598441192 /nfs/dbraw/zinc/44/11/92/598441192.db2.gz YKVSNUJOGCVYLI-UHFFFAOYSA-N -1 3 385.409 0.955 20 0 GCADHM O=Cc1ccccc1OCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738316538 598444480 /nfs/dbraw/zinc/44/44/80/598444480.db2.gz DJLRMLSDLMJHTF-UHFFFAOYSA-N -1 3 393.407 0.802 20 0 GCADHM O=Cc1ccccc1OCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738316538 598444481 /nfs/dbraw/zinc/44/44/81/598444481.db2.gz DJLRMLSDLMJHTF-UHFFFAOYSA-N -1 3 393.407 0.802 20 0 GCADHM Cc1cc(CN2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)no1 ZINC000737262069 598444767 /nfs/dbraw/zinc/44/47/67/598444767.db2.gz JUSOKFFMKWKTGB-UHFFFAOYSA-N -1 3 382.428 0.919 20 0 GCADHM Cc1cc(CN2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)no1 ZINC000737262069 598444768 /nfs/dbraw/zinc/44/47/68/598444768.db2.gz JUSOKFFMKWKTGB-UHFFFAOYSA-N -1 3 382.428 0.919 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736806935 598446993 /nfs/dbraw/zinc/44/69/93/598446993.db2.gz SBMGHPSOYRGBNO-UHFFFAOYSA-N -1 3 395.423 0.458 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736806935 598446994 /nfs/dbraw/zinc/44/69/94/598446994.db2.gz SBMGHPSOYRGBNO-UHFFFAOYSA-N -1 3 395.423 0.458 20 0 GCADHM CCOCCO[C@@H](C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736624266 598447121 /nfs/dbraw/zinc/44/71/21/598447121.db2.gz TXSRRHCVUULCDR-ZDUSSCGKSA-N -1 3 389.460 0.788 20 0 GCADHM CCOCCO[C@@H](C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736624266 598447124 /nfs/dbraw/zinc/44/71/24/598447124.db2.gz TXSRRHCVUULCDR-ZDUSSCGKSA-N -1 3 389.460 0.788 20 0 GCADHM CCCC(=O)N1CSC[C@H]1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736412825 598453176 /nfs/dbraw/zinc/45/31/76/598453176.db2.gz QPRDQAVLDRCUTD-LBPRGKRZSA-N -1 3 390.473 0.491 20 0 GCADHM CCCC(=O)N1CSC[C@H]1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736412825 598453178 /nfs/dbraw/zinc/45/31/78/598453178.db2.gz QPRDQAVLDRCUTD-LBPRGKRZSA-N -1 3 390.473 0.491 20 0 GCADHM Cn1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737613882 598454082 /nfs/dbraw/zinc/45/40/82/598454082.db2.gz SXSYKCFHXQPKNW-ZDUSSCGKSA-N -1 3 384.425 0.754 20 0 GCADHM Cn1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737613882 598454084 /nfs/dbraw/zinc/45/40/84/598454084.db2.gz SXSYKCFHXQPKNW-ZDUSSCGKSA-N -1 3 384.425 0.754 20 0 GCADHM O=Cc1ccc(OCC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000738314960 598454200 /nfs/dbraw/zinc/45/42/00/598454200.db2.gz YZVWIFWPSFBXDV-UHFFFAOYSA-N -1 3 393.407 0.802 20 0 GCADHM O=Cc1ccc(OCC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000738314960 598454202 /nfs/dbraw/zinc/45/42/02/598454202.db2.gz YZVWIFWPSFBXDV-UHFFFAOYSA-N -1 3 393.407 0.802 20 0 GCADHM CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)s1 ZINC000736886713 598457493 /nfs/dbraw/zinc/45/74/93/598457493.db2.gz IXTAYWTYJRHYQV-UHFFFAOYSA-N -1 3 379.427 0.161 20 0 GCADHM CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)s1 ZINC000736886713 598457495 /nfs/dbraw/zinc/45/74/95/598457495.db2.gz IXTAYWTYJRHYQV-UHFFFAOYSA-N -1 3 379.427 0.161 20 0 GCADHM CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736882624 598457944 /nfs/dbraw/zinc/45/79/44/598457944.db2.gz MKCJEYFNDHVUFO-UHFFFAOYSA-N -1 3 387.425 0.241 20 0 GCADHM CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736882624 598457945 /nfs/dbraw/zinc/45/79/45/598457945.db2.gz MKCJEYFNDHVUFO-UHFFFAOYSA-N -1 3 387.425 0.241 20 0 GCADHM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737737792 598458393 /nfs/dbraw/zinc/45/83/93/598458393.db2.gz FSXHMIJNXVBODD-MRXNPFEDSA-N -1 3 392.423 0.246 20 0 GCADHM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737737792 598458395 /nfs/dbraw/zinc/45/83/95/598458395.db2.gz FSXHMIJNXVBODD-MRXNPFEDSA-N -1 3 392.423 0.246 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1)Nc1ccccc1 ZINC000737874155 598458440 /nfs/dbraw/zinc/45/84/40/598458440.db2.gz SBXXQRNFVUNBMX-UHFFFAOYSA-N -1 3 392.423 0.658 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1)Nc1ccccc1 ZINC000737874155 598458441 /nfs/dbraw/zinc/45/84/41/598458441.db2.gz SBXXQRNFVUNBMX-UHFFFAOYSA-N -1 3 392.423 0.658 20 0 GCADHM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000735963957 598464017 /nfs/dbraw/zinc/46/40/17/598464017.db2.gz SBVMLKLNAZBMCV-GFCCVEGCSA-N -1 3 392.489 0.359 20 0 GCADHM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000735963957 598464019 /nfs/dbraw/zinc/46/40/19/598464019.db2.gz SBVMLKLNAZBMCV-GFCCVEGCSA-N -1 3 392.489 0.359 20 0 GCADHM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000735963958 598464080 /nfs/dbraw/zinc/46/40/80/598464080.db2.gz SBVMLKLNAZBMCV-LBPRGKRZSA-N -1 3 392.489 0.359 20 0 GCADHM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000735963958 598464082 /nfs/dbraw/zinc/46/40/82/598464082.db2.gz SBVMLKLNAZBMCV-LBPRGKRZSA-N -1 3 392.489 0.359 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738316877 598464594 /nfs/dbraw/zinc/46/45/94/598464594.db2.gz GGEARPKPBWUPPM-CQSZACIVSA-N -1 3 393.473 0.329 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738316877 598464596 /nfs/dbraw/zinc/46/45/96/598464596.db2.gz GGEARPKPBWUPPM-CQSZACIVSA-N -1 3 393.473 0.329 20 0 GCADHM O=S(=O)(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCCCC1 ZINC000738342250 598464636 /nfs/dbraw/zinc/46/46/36/598464636.db2.gz IOZIYPNDUAGWAT-UHFFFAOYSA-N -1 3 392.489 0.551 20 0 GCADHM O=S(=O)(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCCCC1 ZINC000738342250 598464637 /nfs/dbraw/zinc/46/46/37/598464637.db2.gz IOZIYPNDUAGWAT-UHFFFAOYSA-N -1 3 392.489 0.551 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000735466667 598466894 /nfs/dbraw/zinc/46/68/94/598466894.db2.gz WQAIXBOEGSKGIO-UHFFFAOYSA-N -1 3 378.824 0.408 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000735466667 598466895 /nfs/dbraw/zinc/46/68/95/598466895.db2.gz WQAIXBOEGSKGIO-UHFFFAOYSA-N -1 3 378.824 0.408 20 0 GCADHM O=C(CCCn1cncn1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737838805 598473150 /nfs/dbraw/zinc/47/31/50/598473150.db2.gz NGFLPBASKZUPNV-UHFFFAOYSA-N -1 3 382.432 0.419 20 0 GCADHM O=C(CCCn1cncn1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737838805 598473152 /nfs/dbraw/zinc/47/31/52/598473152.db2.gz NGFLPBASKZUPNV-UHFFFAOYSA-N -1 3 382.432 0.419 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1csc(I)c1 ZINC000737772329 598474348 /nfs/dbraw/zinc/47/43/48/598474348.db2.gz YERBQGMMZHUMLC-UHFFFAOYSA-N -1 3 387.166 1.000 20 0 GCADHM CS(=O)(=O)NCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737168191 598478002 /nfs/dbraw/zinc/47/80/02/598478002.db2.gz GACUXIWARWJKEI-UHFFFAOYSA-N -1 3 379.446 0.090 20 0 GCADHM CS(=O)(=O)NCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737168191 598478003 /nfs/dbraw/zinc/47/80/03/598478003.db2.gz GACUXIWARWJKEI-UHFFFAOYSA-N -1 3 379.446 0.090 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736271943 598479360 /nfs/dbraw/zinc/47/93/60/598479360.db2.gz PJFXSVBSHADCBR-ZYHUDNBSSA-N -1 3 387.400 0.823 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736271943 598479362 /nfs/dbraw/zinc/47/93/62/598479362.db2.gz PJFXSVBSHADCBR-ZYHUDNBSSA-N -1 3 387.400 0.823 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735797978 598480396 /nfs/dbraw/zinc/48/03/96/598480396.db2.gz BDKJVNOOUALABA-OAHLLOKOSA-N -1 3 388.476 0.937 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735797978 598480397 /nfs/dbraw/zinc/48/03/97/598480397.db2.gz BDKJVNOOUALABA-OAHLLOKOSA-N -1 3 388.476 0.937 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000736590802 598480651 /nfs/dbraw/zinc/48/06/51/598480651.db2.gz LCVVQHYHUWUUDX-GFCCVEGCSA-N -1 3 388.384 0.220 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000736590802 598480652 /nfs/dbraw/zinc/48/06/52/598480652.db2.gz LCVVQHYHUWUUDX-GFCCVEGCSA-N -1 3 388.384 0.220 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1nnc2n1CCC2 ZINC000736131855 598486660 /nfs/dbraw/zinc/48/66/60/598486660.db2.gz SVLNOEMFVBIOLA-MRVPVSSYSA-N -1 3 378.393 0.583 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1nnc2n1CCC2 ZINC000736131855 598486662 /nfs/dbraw/zinc/48/66/62/598486662.db2.gz SVLNOEMFVBIOLA-MRVPVSSYSA-N -1 3 378.393 0.583 20 0 GCADHM C[C@@H](OC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736149543 598490348 /nfs/dbraw/zinc/49/03/48/598490348.db2.gz HDJUPMUULUAQHA-SKVAFPRGSA-N -1 3 382.380 0.582 20 0 GCADHM C[C@@H](OC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736149543 598490349 /nfs/dbraw/zinc/49/03/49/598490349.db2.gz HDJUPMUULUAQHA-SKVAFPRGSA-N -1 3 382.380 0.582 20 0 GCADHM C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736222679 598494547 /nfs/dbraw/zinc/49/45/47/598494547.db2.gz JICNXRBQMIFZIJ-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736222679 598494549 /nfs/dbraw/zinc/49/45/49/598494549.db2.gz JICNXRBQMIFZIJ-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1)N1C(=O)CCC1=O ZINC000735518536 598499196 /nfs/dbraw/zinc/49/91/96/598499196.db2.gz GLUJDYNTBBOMRL-CYBMUJFWSA-N -1 3 397.439 0.443 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1)N1C(=O)CCC1=O ZINC000735518536 598499198 /nfs/dbraw/zinc/49/91/98/598499198.db2.gz GLUJDYNTBBOMRL-CYBMUJFWSA-N -1 3 397.439 0.443 20 0 GCADHM CCS(=O)(=O)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000736659258 598499896 /nfs/dbraw/zinc/49/98/96/598499896.db2.gz QUBVJVMNXRXOAD-UHFFFAOYSA-N -1 3 398.514 0.830 20 0 GCADHM CCS(=O)(=O)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000736659258 598499898 /nfs/dbraw/zinc/49/98/98/598499898.db2.gz QUBVJVMNXRXOAD-UHFFFAOYSA-N -1 3 398.514 0.830 20 0 GCADHM CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736658838 598502497 /nfs/dbraw/zinc/50/24/97/598502497.db2.gz KLFVDPSYEDIMFP-UHFFFAOYSA-N -1 3 386.821 0.010 20 0 GCADHM CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736658838 598502498 /nfs/dbraw/zinc/50/24/98/598502498.db2.gz KLFVDPSYEDIMFP-UHFFFAOYSA-N -1 3 386.821 0.010 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1C1OCCO1 ZINC000738330470 598509391 /nfs/dbraw/zinc/50/93/91/598509391.db2.gz PCHHAROEETWDDO-CQSZACIVSA-N -1 3 379.442 0.924 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1C1OCCO1 ZINC000738330470 598509393 /nfs/dbraw/zinc/50/93/93/598509393.db2.gz PCHHAROEETWDDO-CQSZACIVSA-N -1 3 379.442 0.924 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737744608 598509594 /nfs/dbraw/zinc/50/95/94/598509594.db2.gz MTCXXWUXAKZDHQ-CVEARBPZSA-N -1 3 394.435 0.771 20 0 GCADHM C[C@@H]1C(=O)NCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000736228228 598510167 /nfs/dbraw/zinc/51/01/67/598510167.db2.gz HKMVTIRGGKLJIT-LLVKDONJSA-N -1 3 382.380 0.999 20 0 GCADHM C[C@@H]1C(=O)NCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000736228228 598510169 /nfs/dbraw/zinc/51/01/69/598510169.db2.gz HKMVTIRGGKLJIT-LLVKDONJSA-N -1 3 382.380 0.999 20 0 GCADHM NC(=O)COc1ccc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000737754478 598512962 /nfs/dbraw/zinc/51/29/62/598512962.db2.gz VZRJFUABHULKBO-UHFFFAOYSA-N -1 3 383.368 0.395 20 0 GCADHM NC(=O)COc1ccc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000737754478 598512964 /nfs/dbraw/zinc/51/29/64/598512964.db2.gz VZRJFUABHULKBO-UHFFFAOYSA-N -1 3 383.368 0.395 20 0 GCADHM CC(C)c1nnc(S(=O)(=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1C ZINC000735953447 598515999 /nfs/dbraw/zinc/51/59/99/598515999.db2.gz UQXFUKTYCYEQSQ-UHFFFAOYSA-N -1 3 390.429 0.531 20 0 GCADHM CC(C)c1nnc(S(=O)(=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1C ZINC000735953447 598516001 /nfs/dbraw/zinc/51/60/01/598516001.db2.gz UQXFUKTYCYEQSQ-UHFFFAOYSA-N -1 3 390.429 0.531 20 0 GCADHM O=C(Cn1c(=O)onc1-c1cccnc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737980367 598523755 /nfs/dbraw/zinc/52/37/55/598523755.db2.gz DQTUJWZTSLFZTO-UHFFFAOYSA-N -1 3 378.352 0.395 20 0 GCADHM O=C(Cn1c(=O)onc1-c1cccnc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737980367 598523757 /nfs/dbraw/zinc/52/37/57/598523757.db2.gz DQTUJWZTSLFZTO-UHFFFAOYSA-N -1 3 378.352 0.395 20 0 GCADHM Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737513462 598529307 /nfs/dbraw/zinc/52/93/07/598529307.db2.gz OKZZLNGXTCJDBC-LBPRGKRZSA-N -1 3 396.459 0.896 20 0 GCADHM Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737513462 598529308 /nfs/dbraw/zinc/52/93/08/598529308.db2.gz OKZZLNGXTCJDBC-LBPRGKRZSA-N -1 3 396.459 0.896 20 0 GCADHM c1nn(Cc2ccncc2)cc1NC[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738413687 598529511 /nfs/dbraw/zinc/52/95/11/598529511.db2.gz UUUMJMKIHIVUNG-CYBMUJFWSA-N -1 3 377.416 0.857 20 0 GCADHM c1nn(Cc2ccncc2)cc1NC[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738413687 598529513 /nfs/dbraw/zinc/52/95/13/598529513.db2.gz UUUMJMKIHIVUNG-CYBMUJFWSA-N -1 3 377.416 0.857 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000738076043 598535258 /nfs/dbraw/zinc/53/52/58/598535258.db2.gz VCMDCRVRDMSKML-ZDUSSCGKSA-N -1 3 382.432 0.986 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000738076043 598535260 /nfs/dbraw/zinc/53/52/60/598535260.db2.gz VCMDCRVRDMSKML-ZDUSSCGKSA-N -1 3 382.432 0.986 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735746716 598535742 /nfs/dbraw/zinc/53/57/42/598535742.db2.gz HPAPASRFLDHXMS-AWEZNQCLSA-N -1 3 395.427 0.231 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735746716 598535744 /nfs/dbraw/zinc/53/57/44/598535744.db2.gz HPAPASRFLDHXMS-AWEZNQCLSA-N -1 3 395.427 0.231 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)c1cn(C)nc1C ZINC000737057062 598536027 /nfs/dbraw/zinc/53/60/27/598536027.db2.gz GILAIDFVQNOTSD-SECBINFHSA-N -1 3 384.400 0.733 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)c1cn(C)nc1C ZINC000737057062 598536029 /nfs/dbraw/zinc/53/60/29/598536029.db2.gz GILAIDFVQNOTSD-SECBINFHSA-N -1 3 384.400 0.733 20 0 GCADHM COCCN(CCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000736994748 598537474 /nfs/dbraw/zinc/53/74/74/598537474.db2.gz LPFZKVUACNDLNZ-AWEZNQCLSA-N -1 3 381.458 0.381 20 0 GCADHM COCCN(CCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000736994748 598537476 /nfs/dbraw/zinc/53/74/76/598537476.db2.gz LPFZKVUACNDLNZ-AWEZNQCLSA-N -1 3 381.458 0.381 20 0 GCADHM CC(=O)NC1(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)CCCC1 ZINC000735473981 598541393 /nfs/dbraw/zinc/54/13/93/598541393.db2.gz DTKWOIZMIFCPGB-UHFFFAOYSA-N -1 3 378.414 0.859 20 0 GCADHM CC(=O)NC1(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)CCCC1 ZINC000735473981 598541395 /nfs/dbraw/zinc/54/13/95/598541395.db2.gz DTKWOIZMIFCPGB-UHFFFAOYSA-N -1 3 378.414 0.859 20 0 GCADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000737246263 598544987 /nfs/dbraw/zinc/54/49/87/598544987.db2.gz RIJZXGRMCJLAQA-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCN(c3ccc4nncn4n3)CC2)n1 ZINC000737246263 598544988 /nfs/dbraw/zinc/54/49/88/598544988.db2.gz RIJZXGRMCJLAQA-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN(CC(C)(C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000737548985 598553150 /nfs/dbraw/zinc/55/31/50/598553150.db2.gz SXEHAEMRVPGAIU-LBPRGKRZSA-N -1 3 391.476 0.792 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000736659779 598556664 /nfs/dbraw/zinc/55/66/64/598556664.db2.gz WCIORGAPXXBHOJ-UHFFFAOYSA-N -1 3 384.487 0.814 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000736659779 598556662 /nfs/dbraw/zinc/55/66/62/598556662.db2.gz WCIORGAPXXBHOJ-UHFFFAOYSA-N -1 3 384.487 0.814 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)NC1CCOCC1 ZINC000736169808 598556815 /nfs/dbraw/zinc/55/68/15/598556815.db2.gz PJJLIPZLPOOWCQ-NSHDSACASA-N -1 3 375.385 0.472 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC(=O)NC1CCOCC1 ZINC000736189076 598556951 /nfs/dbraw/zinc/55/69/51/598556951.db2.gz QUARCUDQJFCLKA-LLVKDONJSA-N -1 3 375.385 0.472 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC(=O)NC1CCOCC1 ZINC000736189076 598556953 /nfs/dbraw/zinc/55/69/53/598556953.db2.gz QUARCUDQJFCLKA-LLVKDONJSA-N -1 3 375.385 0.472 20 0 GCADHM CS(=O)(=O)CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737163513 598561152 /nfs/dbraw/zinc/56/11/52/598561152.db2.gz XDJURJWZDXANDG-UHFFFAOYSA-N -1 3 376.345 0.634 20 0 GCADHM CS(=O)(=O)CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737163513 598561153 /nfs/dbraw/zinc/56/11/53/598561153.db2.gz XDJURJWZDXANDG-UHFFFAOYSA-N -1 3 376.345 0.634 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@H]1CCS(=O)(=O)C1 ZINC000738144960 598561785 /nfs/dbraw/zinc/56/17/85/598561785.db2.gz HUJVDZNAEGRNGE-QMMMGPOBSA-N -1 3 388.356 0.777 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@H]1CCS(=O)(=O)C1 ZINC000738144960 598561786 /nfs/dbraw/zinc/56/17/86/598561786.db2.gz HUJVDZNAEGRNGE-QMMMGPOBSA-N -1 3 388.356 0.777 20 0 GCADHM COC[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736967354 598563731 /nfs/dbraw/zinc/56/37/31/598563731.db2.gz AYMDKBPSHZLSPL-MRVPVSSYSA-N -1 3 384.343 0.805 20 0 GCADHM COC[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736967354 598563732 /nfs/dbraw/zinc/56/37/32/598563732.db2.gz AYMDKBPSHZLSPL-MRVPVSSYSA-N -1 3 384.343 0.805 20 0 GCADHM COC[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736967355 598564131 /nfs/dbraw/zinc/56/41/31/598564131.db2.gz AYMDKBPSHZLSPL-QMMMGPOBSA-N -1 3 384.343 0.805 20 0 GCADHM COC[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736967355 598564133 /nfs/dbraw/zinc/56/41/33/598564133.db2.gz AYMDKBPSHZLSPL-QMMMGPOBSA-N -1 3 384.343 0.805 20 0 GCADHM Cn1nccc1CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737626986 598564259 /nfs/dbraw/zinc/56/42/59/598564259.db2.gz HDPNNZJSJPXYJO-UHFFFAOYSA-N -1 3 392.326 0.457 20 0 GCADHM Cn1nccc1CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737626986 598564260 /nfs/dbraw/zinc/56/42/60/598564260.db2.gz HDPNNZJSJPXYJO-UHFFFAOYSA-N -1 3 392.326 0.457 20 0 GCADHM CN(CC(N)=O)C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736789266 598565370 /nfs/dbraw/zinc/56/53/70/598565370.db2.gz VNBBAACCMSPYEG-UHFFFAOYSA-N -1 3 395.379 0.541 20 0 GCADHM CN(CC(N)=O)C(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736789266 598565371 /nfs/dbraw/zinc/56/53/71/598565371.db2.gz VNBBAACCMSPYEG-UHFFFAOYSA-N -1 3 395.379 0.541 20 0 GCADHM O=C(CN1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1)N1CCCCC1 ZINC000737881848 598566918 /nfs/dbraw/zinc/56/69/18/598566918.db2.gz HRWHDXHNIVIWIC-UHFFFAOYSA-N -1 3 395.471 0.649 20 0 GCADHM O=C(CN1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1)N1CCCCC1 ZINC000737881848 598566920 /nfs/dbraw/zinc/56/69/20/598566920.db2.gz HRWHDXHNIVIWIC-UHFFFAOYSA-N -1 3 395.471 0.649 20 0 GCADHM C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2sccc2-c2nnn[n-]2)C1=O ZINC000736228710 598568941 /nfs/dbraw/zinc/56/89/41/598568941.db2.gz JGVULMNPKLZSGF-INIZCTEOSA-N -1 3 398.408 0.729 20 0 GCADHM C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2sccc2-c2nn[n-]n2)C1=O ZINC000736228710 598568943 /nfs/dbraw/zinc/56/89/43/598568943.db2.gz JGVULMNPKLZSGF-INIZCTEOSA-N -1 3 398.408 0.729 20 0 GCADHM O=C(NC[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738050693 598577839 /nfs/dbraw/zinc/57/78/39/598577839.db2.gz FWDPFYRNWRRCRU-SWLSCSKDSA-N -1 3 390.469 0.386 20 0 GCADHM O=C(NCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000738076230 598577879 /nfs/dbraw/zinc/57/78/79/598577879.db2.gz WDCPEWBZHVFZSS-OAHLLOKOSA-N -1 3 395.423 0.975 20 0 GCADHM O=C(C1CC1)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737782477 598577988 /nfs/dbraw/zinc/57/79/88/598577988.db2.gz GHTHCANSJUOGNU-KRWDZBQOSA-N -1 3 395.467 0.916 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736782063 598579678 /nfs/dbraw/zinc/57/96/78/598579678.db2.gz INIALNFHUKCEQG-MRXNPFEDSA-N -1 3 399.455 0.153 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000736009006 598580549 /nfs/dbraw/zinc/58/05/49/598580549.db2.gz VOWIPTQXGBGVRH-RHSMWYFYSA-N -1 3 385.472 0.672 20 0 GCADHM O=C(CCn1ccnn1)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738151568 598586968 /nfs/dbraw/zinc/58/69/68/598586968.db2.gz JKZYOJJGFMWZSJ-CYBMUJFWSA-N -1 3 399.440 0.389 20 0 GCADHM O=C(CCn1ccnn1)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738151568 598586970 /nfs/dbraw/zinc/58/69/70/598586970.db2.gz JKZYOJJGFMWZSJ-CYBMUJFWSA-N -1 3 399.440 0.389 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCC2(CCO)CCC2)cc1 ZINC000822903639 607362018 /nfs/dbraw/zinc/36/20/18/607362018.db2.gz MGAYFMAFYUTGKW-UHFFFAOYSA-N -1 3 382.428 0.917 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCC2(CCO)CCC2)cc1 ZINC000822903639 607362020 /nfs/dbraw/zinc/36/20/20/607362020.db2.gz MGAYFMAFYUTGKW-UHFFFAOYSA-N -1 3 382.428 0.917 20 0 GCADHM CCc1nnc2ccc(N3CCN(c4cc(-c5nnn[n-]5)ccn4)CC3)nn21 ZINC000736711308 598591945 /nfs/dbraw/zinc/59/19/45/598591945.db2.gz VFEZTXFOEOJIJV-UHFFFAOYSA-N -1 3 377.416 0.588 20 0 GCADHM CCc1nnc2ccc(N3CCN(c4cc(-c5nn[n-]n5)ccn4)CC3)nn21 ZINC000736711308 598591947 /nfs/dbraw/zinc/59/19/47/598591947.db2.gz VFEZTXFOEOJIJV-UHFFFAOYSA-N -1 3 377.416 0.588 20 0 GCADHM CS(=O)(=O)CCN1CCC(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737163000 598597050 /nfs/dbraw/zinc/59/70/50/598597050.db2.gz QSKNGTCOFHOZAJ-UHFFFAOYSA-N -1 3 393.473 0.497 20 0 GCADHM CS(=O)(=O)CCN1CCC(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737163000 598597051 /nfs/dbraw/zinc/59/70/51/598597051.db2.gz QSKNGTCOFHOZAJ-UHFFFAOYSA-N -1 3 393.473 0.497 20 0 GCADHM CCS(=O)(=O)NCCOC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736663117 598597682 /nfs/dbraw/zinc/59/76/82/598597682.db2.gz CPAQOECUZFPLNI-UHFFFAOYSA-N -1 3 385.471 0.582 20 0 GCADHM CCS(=O)(=O)NCCOC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736663117 598597684 /nfs/dbraw/zinc/59/76/84/598597684.db2.gz CPAQOECUZFPLNI-UHFFFAOYSA-N -1 3 385.471 0.582 20 0 GCADHM COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737114003 598598860 /nfs/dbraw/zinc/59/88/60/598598860.db2.gz AUEBCYGLEIYLNB-UHFFFAOYSA-N -1 3 392.372 0.914 20 0 GCADHM COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737114003 598598862 /nfs/dbraw/zinc/59/88/62/598598862.db2.gz AUEBCYGLEIYLNB-UHFFFAOYSA-N -1 3 392.372 0.914 20 0 GCADHM CCS(=O)(=O)NCCOC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736663557 598599068 /nfs/dbraw/zinc/59/90/68/598599068.db2.gz HDIMVEQTAUXJJU-AWEZNQCLSA-N -1 3 394.457 0.318 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000738085995 598599094 /nfs/dbraw/zinc/59/90/94/598599094.db2.gz RCHHZRAPWINNBE-UHFFFAOYSA-N -1 3 393.473 0.385 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000738085995 598599096 /nfs/dbraw/zinc/59/90/96/598599096.db2.gz RCHHZRAPWINNBE-UHFFFAOYSA-N -1 3 393.473 0.385 20 0 GCADHM Cc1cccc([C@H](CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)NC(N)=O)c1 ZINC000737390766 598602710 /nfs/dbraw/zinc/60/27/10/598602710.db2.gz VBEIAPVNJSTILN-ZDUSSCGKSA-N -1 3 399.415 0.297 20 0 GCADHM Cc1cccc([C@H](CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)NC(N)=O)c1 ZINC000737390766 598602712 /nfs/dbraw/zinc/60/27/12/598602712.db2.gz VBEIAPVNJSTILN-ZDUSSCGKSA-N -1 3 399.415 0.297 20 0 GCADHM C[S@@](=O)Cc1cccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000737174157 598602834 /nfs/dbraw/zinc/60/28/34/598602834.db2.gz SIBRUGXKRFWNAO-AREMUKBSSA-N -1 3 375.414 0.381 20 0 GCADHM C[S@@](=O)Cc1cccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000737174157 598602835 /nfs/dbraw/zinc/60/28/35/598602835.db2.gz SIBRUGXKRFWNAO-AREMUKBSSA-N -1 3 375.414 0.381 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCCNC(=O)c1ccsc1 ZINC000737770857 598603093 /nfs/dbraw/zinc/60/30/93/598603093.db2.gz MUGCSDYPWNQXFB-UHFFFAOYSA-N -1 3 390.429 0.460 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCCNC(=O)c1ccsc1 ZINC000737770857 598603094 /nfs/dbraw/zinc/60/30/94/598603094.db2.gz MUGCSDYPWNQXFB-UHFFFAOYSA-N -1 3 390.429 0.460 20 0 GCADHM COc1ccc2[nH]cc(CC(=O)OCCn3ncc(-c4nnn[n-]4)c3N)c2c1 ZINC000737113832 598604350 /nfs/dbraw/zinc/60/43/50/598604350.db2.gz GXWAIHVMSJECLY-UHFFFAOYSA-N -1 3 382.384 0.921 20 0 GCADHM COc1ccc2[nH]cc(CC(=O)OCCn3ncc(-c4nn[n-]n4)c3N)c2c1 ZINC000737113832 598604352 /nfs/dbraw/zinc/60/43/52/598604352.db2.gz GXWAIHVMSJECLY-UHFFFAOYSA-N -1 3 382.384 0.921 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccn(-c2ccccc2F)n1 ZINC000737773056 598604802 /nfs/dbraw/zinc/60/48/02/598604802.db2.gz GBECHFJNDSWKAI-UHFFFAOYSA-N -1 3 383.347 0.827 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccn(-c2ccccc2F)n1 ZINC000737773056 598604805 /nfs/dbraw/zinc/60/48/05/598604805.db2.gz GBECHFJNDSWKAI-UHFFFAOYSA-N -1 3 383.347 0.827 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000737771668 598605930 /nfs/dbraw/zinc/60/59/30/598605930.db2.gz TUWYUHJAPIFEER-LLVKDONJSA-N -1 3 382.384 0.242 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000737771668 598605931 /nfs/dbraw/zinc/60/59/31/598605931.db2.gz TUWYUHJAPIFEER-LLVKDONJSA-N -1 3 382.384 0.242 20 0 GCADHM Cc1nc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)nn1-c1ccccc1 ZINC000737468387 598606144 /nfs/dbraw/zinc/60/61/44/598606144.db2.gz YMDNNZWFSNXZJR-UHFFFAOYSA-N -1 3 380.372 0.392 20 0 GCADHM Cc1nc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)nn1-c1ccccc1 ZINC000737468387 598606146 /nfs/dbraw/zinc/60/61/46/598606146.db2.gz YMDNNZWFSNXZJR-UHFFFAOYSA-N -1 3 380.372 0.392 20 0 GCADHM Cc1c(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cnn1-c1ccccc1 ZINC000737210074 598607562 /nfs/dbraw/zinc/60/75/62/598607562.db2.gz XSPKUWKLNJRXCL-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM Cc1c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cnn1-c1ccccc1 ZINC000737210074 598607564 /nfs/dbraw/zinc/60/75/64/598607564.db2.gz XSPKUWKLNJRXCL-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](OCCO)C1 ZINC000822917115 607362849 /nfs/dbraw/zinc/36/28/49/607362849.db2.gz NRRXVUYFJMJSCN-SJORKVTESA-N -1 3 386.456 0.835 20 0 GCADHM Cn1cc(CN2CCCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000737601486 598612699 /nfs/dbraw/zinc/61/26/99/598612699.db2.gz JXUSQCZUIJQNCU-UHFFFAOYSA-N -1 3 396.455 0.714 20 0 GCADHM Cn1cc(CN2CCCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000737601486 598612700 /nfs/dbraw/zinc/61/27/00/598612700.db2.gz JXUSQCZUIJQNCU-UHFFFAOYSA-N -1 3 396.455 0.714 20 0 GCADHM CCC(=O)N1CCC[C@@H](C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)C1 ZINC000736303233 598614477 /nfs/dbraw/zinc/61/44/77/598614477.db2.gz KPSSFEJDBDDCFF-SECBINFHSA-N -1 3 376.446 0.756 20 0 GCADHM CCC(=O)N1CCC[C@@H](C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)C1 ZINC000736303233 598614478 /nfs/dbraw/zinc/61/44/78/598614478.db2.gz KPSSFEJDBDDCFF-SECBINFHSA-N -1 3 376.446 0.756 20 0 GCADHM CCC(=O)N1CCC[C@H](C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)C1 ZINC000736303236 598614882 /nfs/dbraw/zinc/61/48/82/598614882.db2.gz KPSSFEJDBDDCFF-VIFPVBQESA-N -1 3 376.446 0.756 20 0 GCADHM CCC(=O)N1CCC[C@H](C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)C1 ZINC000736303236 598614884 /nfs/dbraw/zinc/61/48/84/598614884.db2.gz KPSSFEJDBDDCFF-VIFPVBQESA-N -1 3 376.446 0.756 20 0 GCADHM COC(=O)CC1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736912713 598615901 /nfs/dbraw/zinc/61/59/01/598615901.db2.gz USCXMDRZZMYILV-HNNXBMFYSA-N -1 3 398.423 0.774 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000738209894 598616013 /nfs/dbraw/zinc/61/60/13/598616013.db2.gz JCGKSZRUXDUQHM-SNVBAGLBSA-N -1 3 388.457 0.756 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000738209894 598616015 /nfs/dbraw/zinc/61/60/15/598616015.db2.gz JCGKSZRUXDUQHM-SNVBAGLBSA-N -1 3 388.457 0.756 20 0 GCADHM O=C1C[C@@H](N2CCN(CC(F)F)CC2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000738303024 598616915 /nfs/dbraw/zinc/61/69/15/598616915.db2.gz YWSZGTBGFJJTKY-CYBMUJFWSA-N -1 3 391.382 0.381 20 0 GCADHM O=C1C[C@@H](N2CCN(CC(F)F)CC2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000738303024 598616916 /nfs/dbraw/zinc/61/69/16/598616916.db2.gz YWSZGTBGFJJTKY-CYBMUJFWSA-N -1 3 391.382 0.381 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737766793 598619321 /nfs/dbraw/zinc/61/93/21/598619321.db2.gz WXRZRQNRDKXMGM-UHFFFAOYSA-N -1 3 376.373 0.834 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737766793 598619322 /nfs/dbraw/zinc/61/93/22/598619322.db2.gz WXRZRQNRDKXMGM-UHFFFAOYSA-N -1 3 376.373 0.834 20 0 GCADHM CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737164707 598627910 /nfs/dbraw/zinc/62/79/10/598627910.db2.gz AGDIUPJVJZGYSW-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737164707 598627911 /nfs/dbraw/zinc/62/79/11/598627911.db2.gz AGDIUPJVJZGYSW-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)c(-c2nnn[n-]2)c1 ZINC000737768928 598630156 /nfs/dbraw/zinc/63/01/56/598630156.db2.gz BJHDTLUHOGXXNS-UHFFFAOYSA-N -1 3 386.441 0.236 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)c(-c2nn[n-]n2)c1 ZINC000737768928 598630158 /nfs/dbraw/zinc/63/01/58/598630158.db2.gz BJHDTLUHOGXXNS-UHFFFAOYSA-N -1 3 386.441 0.236 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000735883164 598637141 /nfs/dbraw/zinc/63/71/41/598637141.db2.gz WXGWMDMXDIBTBS-UHFFFAOYSA-N -1 3 377.836 0.693 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000735883164 598637143 /nfs/dbraw/zinc/63/71/43/598637143.db2.gz WXGWMDMXDIBTBS-UHFFFAOYSA-N -1 3 377.836 0.693 20 0 GCADHM NC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737761984 598637411 /nfs/dbraw/zinc/63/74/11/598637411.db2.gz WDZXFDFRPXHDMA-UHFFFAOYSA-N -1 3 383.343 0.360 20 0 GCADHM NC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737761984 598637412 /nfs/dbraw/zinc/63/74/12/598637412.db2.gz WDZXFDFRPXHDMA-UHFFFAOYSA-N -1 3 383.343 0.360 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000738163145 598637755 /nfs/dbraw/zinc/63/77/55/598637755.db2.gz OVINZOKNXBFRAV-UHFFFAOYSA-N -1 3 396.386 0.688 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000738163145 598637757 /nfs/dbraw/zinc/63/77/57/598637757.db2.gz OVINZOKNXBFRAV-UHFFFAOYSA-N -1 3 396.386 0.688 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCCCn1nc2ccccn2c1=O ZINC000737925374 598637904 /nfs/dbraw/zinc/63/79/04/598637904.db2.gz RYDVIPACRBUSNQ-UHFFFAOYSA-N -1 3 395.379 0.688 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCCCn1nc2ccccn2c1=O ZINC000737925374 598637907 /nfs/dbraw/zinc/63/79/07/598637907.db2.gz RYDVIPACRBUSNQ-UHFFFAOYSA-N -1 3 395.379 0.688 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736325493 598638156 /nfs/dbraw/zinc/63/81/56/598638156.db2.gz KKSFOYFDSNJYSK-SECBINFHSA-N -1 3 377.380 0.365 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736325493 598638158 /nfs/dbraw/zinc/63/81/58/598638158.db2.gz KKSFOYFDSNJYSK-SECBINFHSA-N -1 3 377.380 0.365 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1CCCCC1 ZINC000737889426 598641132 /nfs/dbraw/zinc/64/11/32/598641132.db2.gz MTCYEJVOSNMBIC-UHFFFAOYSA-N -1 3 389.391 0.509 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1CCCCC1 ZINC000737889426 598641133 /nfs/dbraw/zinc/64/11/33/598641133.db2.gz MTCYEJVOSNMBIC-UHFFFAOYSA-N -1 3 389.391 0.509 20 0 GCADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CCCS(C)(=O)=O)C1=O ZINC000736223546 598645371 /nfs/dbraw/zinc/64/53/71/598645371.db2.gz OBMONLDCKIEJEX-OAHLLOKOSA-N -1 3 378.414 0.068 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CCCS(C)(=O)=O)C1=O ZINC000736223546 598645373 /nfs/dbraw/zinc/64/53/73/598645373.db2.gz OBMONLDCKIEJEX-OAHLLOKOSA-N -1 3 378.414 0.068 20 0 GCADHM C[C@@H]1CCc2c(sc(NC(=O)CN3CCC(=O)NC3=O)c2-c2nnn[n-]2)C1 ZINC000736281998 598645949 /nfs/dbraw/zinc/64/59/49/598645949.db2.gz ZJEGDZWVBVACHG-MRVPVSSYSA-N -1 3 389.441 0.933 20 0 GCADHM C[C@@H]1CCc2c(sc(NC(=O)CN3CCC(=O)NC3=O)c2-c2nn[n-]n2)C1 ZINC000736281998 598645951 /nfs/dbraw/zinc/64/59/51/598645951.db2.gz ZJEGDZWVBVACHG-MRVPVSSYSA-N -1 3 389.441 0.933 20 0 GCADHM C[C@H]1CCc2c(sc(NC(=O)CN3CCC(=O)NC3=O)c2-c2nnn[n-]2)C1 ZINC000736281999 598646296 /nfs/dbraw/zinc/64/62/96/598646296.db2.gz ZJEGDZWVBVACHG-QMMMGPOBSA-N -1 3 389.441 0.933 20 0 GCADHM C[C@H]1CCc2c(sc(NC(=O)CN3CCC(=O)NC3=O)c2-c2nn[n-]n2)C1 ZINC000736281999 598646298 /nfs/dbraw/zinc/64/62/98/598646298.db2.gz ZJEGDZWVBVACHG-QMMMGPOBSA-N -1 3 389.441 0.933 20 0 GCADHM CCCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000821087575 607363582 /nfs/dbraw/zinc/36/35/82/607363582.db2.gz DDVUQGTZTCODEB-GFCCVEGCSA-N -1 3 396.473 0.914 20 0 GCADHM CCOC(=O)C(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC ZINC000736591266 598650421 /nfs/dbraw/zinc/65/04/21/598650421.db2.gz SKUVENWNENJCAL-UHFFFAOYSA-N -1 3 393.425 0.570 20 0 GCADHM CCOC(=O)C(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC ZINC000736591266 598650423 /nfs/dbraw/zinc/65/04/23/598650423.db2.gz SKUVENWNENJCAL-UHFFFAOYSA-N -1 3 393.425 0.570 20 0 GCADHM NC(=O)[C@@H]1CC(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)=NN1c1ccccc1 ZINC000737738747 598659260 /nfs/dbraw/zinc/65/92/60/598659260.db2.gz LJCMZVWODGHZSQ-ZDUSSCGKSA-N -1 3 377.368 0.320 20 0 GCADHM NC(=O)[C@@H]1CC(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)=NN1c1ccccc1 ZINC000737738747 598659261 /nfs/dbraw/zinc/65/92/61/598659261.db2.gz LJCMZVWODGHZSQ-ZDUSSCGKSA-N -1 3 377.368 0.320 20 0 GCADHM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736498483 598662669 /nfs/dbraw/zinc/66/26/69/598662669.db2.gz TUTIDFYKYQIERK-GFCCVEGCSA-N -1 3 379.446 0.795 20 0 GCADHM CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000736498483 598662670 /nfs/dbraw/zinc/66/26/70/598662670.db2.gz TUTIDFYKYQIERK-GFCCVEGCSA-N -1 3 379.446 0.795 20 0 GCADHM CN(C)C(=O)c1cccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736752789 598664474 /nfs/dbraw/zinc/66/44/74/598664474.db2.gz BSZKWYDPXWSWIK-UHFFFAOYSA-N -1 3 380.412 0.805 20 0 GCADHM CN(C)C(=O)c1cccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736752789 598664476 /nfs/dbraw/zinc/66/44/76/598664476.db2.gz BSZKWYDPXWSWIK-UHFFFAOYSA-N -1 3 380.412 0.805 20 0 GCADHM NC(=O)C1(CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000737738587 598664773 /nfs/dbraw/zinc/66/47/73/598664773.db2.gz KGXWBBYEVWOLMU-UHFFFAOYSA-N -1 3 376.442 0.357 20 0 GCADHM NC(=O)C1(CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000737738587 598664775 /nfs/dbraw/zinc/66/47/75/598664775.db2.gz KGXWBBYEVWOLMU-UHFFFAOYSA-N -1 3 376.442 0.357 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000738317161 598665587 /nfs/dbraw/zinc/66/55/87/598665587.db2.gz ZLNRXAVUEVMYLX-UHFFFAOYSA-N -1 3 387.425 0.159 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC2(CC1)NC(=O)NC2=O ZINC000738317161 598665589 /nfs/dbraw/zinc/66/55/89/598665589.db2.gz ZLNRXAVUEVMYLX-UHFFFAOYSA-N -1 3 387.425 0.159 20 0 GCADHM CCN(CCCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC000736536433 598666418 /nfs/dbraw/zinc/66/64/18/598666418.db2.gz DCKCYUPVQPEQLL-UHFFFAOYSA-N -1 3 398.514 0.747 20 0 GCADHM CCN(CCCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000736536433 598666420 /nfs/dbraw/zinc/66/64/20/598666420.db2.gz DCKCYUPVQPEQLL-UHFFFAOYSA-N -1 3 398.514 0.747 20 0 GCADHM O=C(CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)Nc1ccncc1 ZINC000737940385 598669038 /nfs/dbraw/zinc/66/90/38/598669038.db2.gz FPUFZSZSMQENCA-UHFFFAOYSA-N -1 3 383.437 0.921 20 0 GCADHM O=C(CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)Nc1ccncc1 ZINC000737940385 598669040 /nfs/dbraw/zinc/66/90/40/598669040.db2.gz FPUFZSZSMQENCA-UHFFFAOYSA-N -1 3 383.437 0.921 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)Nc1cnn(CCN2CCOCC2)c1 ZINC000737918494 598670535 /nfs/dbraw/zinc/67/05/35/598670535.db2.gz HOGJMFQCQYJPCH-UHFFFAOYSA-N -1 3 398.427 0.413 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000736532500 598678750 /nfs/dbraw/zinc/67/87/50/598678750.db2.gz UITBCPRHPPAABX-UHFFFAOYSA-N -1 3 397.480 0.710 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000736532500 598678751 /nfs/dbraw/zinc/67/87/51/598678751.db2.gz UITBCPRHPPAABX-UHFFFAOYSA-N -1 3 397.480 0.710 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736883170 598683190 /nfs/dbraw/zinc/68/31/90/598683190.db2.gz 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ZINC000826393711 607362987 /nfs/dbraw/zinc/36/29/87/607362987.db2.gz GCUBFWOZNJVBRH-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000736910812 598697795 /nfs/dbraw/zinc/69/77/95/598697795.db2.gz CPOHHBOJHQUKRM-LLVKDONJSA-N -1 3 377.405 0.829 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000736910812 598697797 /nfs/dbraw/zinc/69/77/97/598697797.db2.gz CPOHHBOJHQUKRM-LLVKDONJSA-N -1 3 377.405 0.829 20 0 GCADHM CC(C)=CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735680775 598699195 /nfs/dbraw/zinc/69/91/95/598699195.db2.gz YPOACIHDKRFYIW-UHFFFAOYSA-N -1 3 376.442 0.666 20 0 GCADHM CC(C)=CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735680775 598699196 /nfs/dbraw/zinc/69/91/96/598699196.db2.gz YPOACIHDKRFYIW-UHFFFAOYSA-N -1 3 376.442 0.666 20 0 GCADHM O=C1[C@H](N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCN1CC(F)(F)F ZINC000738288656 598701140 /nfs/dbraw/zinc/70/11/40/598701140.db2.gz DFYBKBIZZVOJCA-GFCCVEGCSA-N -1 3 396.377 0.547 20 0 GCADHM O=C1[C@H](N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCN1CC(F)(F)F ZINC000738288656 598701143 /nfs/dbraw/zinc/70/11/43/598701143.db2.gz DFYBKBIZZVOJCA-GFCCVEGCSA-N -1 3 396.377 0.547 20 0 GCADHM CC(C)COC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735839382 598701397 /nfs/dbraw/zinc/70/13/97/598701397.db2.gz RLYWDNIQYVRZTN-UHFFFAOYSA-N -1 3 394.457 0.966 20 0 GCADHM CC(C)COC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735839382 598701399 /nfs/dbraw/zinc/70/13/99/598701399.db2.gz RLYWDNIQYVRZTN-UHFFFAOYSA-N -1 3 394.457 0.966 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000736923102 598701953 /nfs/dbraw/zinc/70/19/53/598701953.db2.gz OMQKGRXMJFENHB-UHFFFAOYSA-N -1 3 378.408 0.313 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000736923102 598701955 /nfs/dbraw/zinc/70/19/55/598701955.db2.gz OMQKGRXMJFENHB-UHFFFAOYSA-N -1 3 378.408 0.313 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCC[C@@H](OCCO)C2)cc1 ZINC000822899409 607363204 /nfs/dbraw/zinc/36/32/04/607363204.db2.gz JGMRZXDDQUCERZ-CQSZACIVSA-N -1 3 398.427 0.248 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCC[C@@H](OCCO)C2)cc1 ZINC000822899409 607363205 /nfs/dbraw/zinc/36/32/05/607363205.db2.gz JGMRZXDDQUCERZ-CQSZACIVSA-N -1 3 398.427 0.248 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC(C(=O)NCCO)CC1 ZINC000823206095 607363266 /nfs/dbraw/zinc/36/32/66/607363266.db2.gz JFTVVYNRHKDCAD-UHFFFAOYSA-N -1 3 390.469 0.306 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC(C(=O)NCCO)CC1 ZINC000823206095 607363268 /nfs/dbraw/zinc/36/32/68/607363268.db2.gz JFTVVYNRHKDCAD-UHFFFAOYSA-N -1 3 390.469 0.306 20 0 GCADHM O=C(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737862902 598702674 /nfs/dbraw/zinc/70/26/74/598702674.db2.gz PFNISMNYXJPCFQ-OAHLLOKOSA-N -1 3 390.469 0.134 20 0 GCADHM O=C(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737862902 598702675 /nfs/dbraw/zinc/70/26/75/598702675.db2.gz PFNISMNYXJPCFQ-OAHLLOKOSA-N -1 3 390.469 0.134 20 0 GCADHM CNC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736871261 598705096 /nfs/dbraw/zinc/70/50/96/598705096.db2.gz NIYJNXTUESBRMK-SNVBAGLBSA-N -1 3 377.836 0.917 20 0 GCADHM CNC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736871261 598705097 /nfs/dbraw/zinc/70/50/97/598705097.db2.gz NIYJNXTUESBRMK-SNVBAGLBSA-N -1 3 377.836 0.917 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c2=O ZINC000737626420 598706464 /nfs/dbraw/zinc/70/64/64/598706464.db2.gz CCZZOQVJCMOMBD-UHFFFAOYSA-N -1 3 384.331 0.193 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c2=O ZINC000737626420 598706466 /nfs/dbraw/zinc/70/64/66/598706466.db2.gz CCZZOQVJCMOMBD-UHFFFAOYSA-N -1 3 384.331 0.193 20 0 GCADHM Cn1cc(C=CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000737604968 598706863 /nfs/dbraw/zinc/70/68/63/598706863.db2.gz RFEAZNZBBPWANV-XQRVVYSFSA-N -1 3 386.343 0.160 20 0 GCADHM Cn1cc(C=CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737604968 598706865 /nfs/dbraw/zinc/70/68/65/598706865.db2.gz RFEAZNZBBPWANV-XQRVVYSFSA-N -1 3 386.343 0.160 20 0 GCADHM O=C(CN1CCC[C@H](N2CCCC2=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737875979 598707163 /nfs/dbraw/zinc/70/71/63/598707163.db2.gz OSMHOOVHDVSUHF-INIZCTEOSA-N -1 3 383.456 0.570 20 0 GCADHM O=C(CN1CCCC[C@H]1CN1CCCC1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737880125 598707216 /nfs/dbraw/zinc/70/72/16/598707216.db2.gz YYBJMFQZBPUNPO-KRWDZBQOSA-N -1 3 397.483 0.960 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737167194 598708196 /nfs/dbraw/zinc/70/81/96/598708196.db2.gz SYLHCBISWBQYEX-CYBMUJFWSA-N -1 3 383.405 0.863 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737167194 598708197 /nfs/dbraw/zinc/70/81/97/598708197.db2.gz SYLHCBISWBQYEX-CYBMUJFWSA-N -1 3 383.405 0.863 20 0 GCADHM COCCN(C)S(=O)(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736990182 598709298 /nfs/dbraw/zinc/70/92/98/598709298.db2.gz KJLQBKOZELRCDY-UHFFFAOYSA-N -1 3 396.473 0.533 20 0 GCADHM COCCN(C)S(=O)(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736990182 598709300 /nfs/dbraw/zinc/70/93/00/598709300.db2.gz KJLQBKOZELRCDY-UHFFFAOYSA-N -1 3 396.473 0.533 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1c[nH]nc1C ZINC000737003521 598709964 /nfs/dbraw/zinc/70/99/64/598709964.db2.gz XIULNMDPIBPBOR-UHFFFAOYSA-N -1 3 377.430 0.736 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738329909 598711597 /nfs/dbraw/zinc/71/15/97/598711597.db2.gz NSAHRAAHCJVNGF-HNNXBMFYSA-N -1 3 389.441 0.294 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738329909 598711599 /nfs/dbraw/zinc/71/15/99/598711599.db2.gz NSAHRAAHCJVNGF-HNNXBMFYSA-N -1 3 389.441 0.294 20 0 GCADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCNC1=O ZINC000736155284 598714394 /nfs/dbraw/zinc/71/43/94/598714394.db2.gz LTMJZMVFIUPMFH-SECBINFHSA-N -1 3 376.398 0.442 20 0 GCADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCNC1=O ZINC000736155284 598714396 /nfs/dbraw/zinc/71/43/96/598714396.db2.gz LTMJZMVFIUPMFH-SECBINFHSA-N -1 3 376.398 0.442 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cn1 ZINC000736876992 598715172 /nfs/dbraw/zinc/71/51/72/598715172.db2.gz GNHJWLFCFHEESD-JTQLQIEISA-N -1 3 395.379 0.805 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cn1 ZINC000736876992 598715174 /nfs/dbraw/zinc/71/51/74/598715174.db2.gz GNHJWLFCFHEESD-JTQLQIEISA-N -1 3 395.379 0.805 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000736635836 598716179 /nfs/dbraw/zinc/71/61/79/598716179.db2.gz HLAQWRMHPIVOIL-CYBMUJFWSA-N -1 3 376.373 0.671 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000736635836 598716180 /nfs/dbraw/zinc/71/61/80/598716180.db2.gz HLAQWRMHPIVOIL-CYBMUJFWSA-N -1 3 376.373 0.671 20 0 GCADHM CCN(CC)C(=O)CN1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000736530153 598716567 /nfs/dbraw/zinc/71/65/67/598716567.db2.gz ZOEMMELJNNZREW-UHFFFAOYSA-N -1 3 375.452 0.992 20 0 GCADHM CCN(CC)C(=O)CN1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000736530153 598716568 /nfs/dbraw/zinc/71/65/68/598716568.db2.gz ZOEMMELJNNZREW-UHFFFAOYSA-N -1 3 375.452 0.992 20 0 GCADHM CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@@H]1CCCCNC1=O ZINC000736742977 598717427 /nfs/dbraw/zinc/71/74/27/598717427.db2.gz VTMUPLFUGQWZNK-CQSZACIVSA-N -1 3 395.427 0.375 20 0 GCADHM CN(C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[C@@H]1CCCCNC1=O ZINC000736742977 598717429 /nfs/dbraw/zinc/71/74/29/598717429.db2.gz VTMUPLFUGQWZNK-CQSZACIVSA-N -1 3 395.427 0.375 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000737777255 598718636 /nfs/dbraw/zinc/71/86/36/598718636.db2.gz RGQJZJAXLSSLIV-UHFFFAOYSA-N -1 3 381.400 0.444 20 0 GCADHM O=C(c1cncc(O)c1)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000738284788 598719481 /nfs/dbraw/zinc/71/94/81/598719481.db2.gz YAHMWMKWRWMCCU-UHFFFAOYSA-N -1 3 382.384 0.795 20 0 GCADHM O=C(c1cncc(O)c1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000738284788 598719485 /nfs/dbraw/zinc/71/94/85/598719485.db2.gz YAHMWMKWRWMCCU-UHFFFAOYSA-N -1 3 382.384 0.795 20 0 GCADHM COC(=O)c1cn(CN2CCCN(c3ccccc3-c3nnn[n-]3)CC2)nn1 ZINC000736956121 598722282 /nfs/dbraw/zinc/72/22/82/598722282.db2.gz FGZJAGOWSCDPGT-UHFFFAOYSA-N -1 3 383.416 0.415 20 0 GCADHM COC(=O)c1cn(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)nn1 ZINC000736956121 598722284 /nfs/dbraw/zinc/72/22/84/598722284.db2.gz FGZJAGOWSCDPGT-UHFFFAOYSA-N -1 3 383.416 0.415 20 0 GCADHM Cn1ccnc1CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737614922 598726040 /nfs/dbraw/zinc/72/60/40/598726040.db2.gz CEJNKBWYAGRIPQ-UHFFFAOYSA-N -1 3 382.432 0.463 20 0 GCADHM Cn1ccnc1CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737614922 598726041 /nfs/dbraw/zinc/72/60/41/598726041.db2.gz CEJNKBWYAGRIPQ-UHFFFAOYSA-N -1 3 382.432 0.463 20 0 GCADHM Cn1cc([C@@H]2CCCN2C(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1 ZINC000737604809 598726255 /nfs/dbraw/zinc/72/62/55/598726255.db2.gz KSIRAGAUVHAAIA-AWEZNQCLSA-N -1 3 382.432 0.954 20 0 GCADHM Cn1cc([C@@H]2CCCN2C(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1 ZINC000737604809 598726257 /nfs/dbraw/zinc/72/62/57/598726257.db2.gz KSIRAGAUVHAAIA-AWEZNQCLSA-N -1 3 382.432 0.954 20 0 GCADHM CNC(=O)NC(=O)[C@@H](C)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736878999 598726451 /nfs/dbraw/zinc/72/64/51/598726451.db2.gz NECWOLXOMKDWBK-LLVKDONJSA-N -1 3 390.400 0.803 20 0 GCADHM CNC(=O)NC(=O)[C@@H](C)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736878999 598726453 /nfs/dbraw/zinc/72/64/53/598726453.db2.gz NECWOLXOMKDWBK-LLVKDONJSA-N -1 3 390.400 0.803 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000737126401 598732544 /nfs/dbraw/zinc/73/25/44/598732544.db2.gz GZBFTMUFSDPWOI-HNNXBMFYSA-N -1 3 398.427 0.715 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000737126401 598732545 /nfs/dbraw/zinc/73/25/45/598732545.db2.gz GZBFTMUFSDPWOI-HNNXBMFYSA-N -1 3 398.427 0.715 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCCC[C@@H]1C1OCCO1 ZINC000738077541 598732775 /nfs/dbraw/zinc/73/27/75/598732775.db2.gz FJGMLAFXHKPVTA-CYBMUJFWSA-N -1 3 388.432 0.611 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCCC[C@@H]1C1OCCO1 ZINC000738077541 598732777 /nfs/dbraw/zinc/73/27/77/598732777.db2.gz FJGMLAFXHKPVTA-CYBMUJFWSA-N -1 3 388.432 0.611 20 0 GCADHM CCC(CC)[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736337578 598733554 /nfs/dbraw/zinc/73/35/54/598733554.db2.gz KRZHWCLWEGKRSD-ZDUSSCGKSA-N -1 3 376.417 0.727 20 0 GCADHM CCC(CC)[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736337578 598733556 /nfs/dbraw/zinc/73/35/56/598733556.db2.gz KRZHWCLWEGKRSD-ZDUSSCGKSA-N -1 3 376.417 0.727 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000737287583 598734204 /nfs/dbraw/zinc/73/42/04/598734204.db2.gz DUWKTPGCUZYYSD-AWEZNQCLSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000737287583 598734205 /nfs/dbraw/zinc/73/42/05/598734205.db2.gz DUWKTPGCUZYYSD-AWEZNQCLSA-N -1 3 397.439 0.727 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)OCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000736882567 598736446 /nfs/dbraw/zinc/73/64/46/598736446.db2.gz KQZXCQGJDSKSLX-PLNGDYQASA-N -1 3 394.395 0.685 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)OCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000736882567 598736447 /nfs/dbraw/zinc/73/64/47/598736447.db2.gz KQZXCQGJDSKSLX-PLNGDYQASA-N -1 3 394.395 0.685 20 0 GCADHM C[C@@]12CCC(=O)N1[C@@H](C(=O)OCCNc1ncccc1-c1nnn[n-]1)CS2 ZINC000736230536 598736515 /nfs/dbraw/zinc/73/65/15/598736515.db2.gz SRGBUPWKRPQGQX-BDJLRTHQSA-N -1 3 389.441 0.671 20 0 GCADHM C[C@@]12CCC(=O)N1[C@@H](C(=O)OCCNc1ncccc1-c1nn[n-]n1)CS2 ZINC000736230536 598736516 /nfs/dbraw/zinc/73/65/16/598736516.db2.gz SRGBUPWKRPQGQX-BDJLRTHQSA-N -1 3 389.441 0.671 20 0 GCADHM C[C@@]12CCC(=O)N1[C@H](C(=O)OCCNc1ncccc1-c1nnn[n-]1)CS2 ZINC000736230538 598736527 /nfs/dbraw/zinc/73/65/27/598736527.db2.gz SRGBUPWKRPQGQX-MEDUHNTESA-N -1 3 389.441 0.671 20 0 GCADHM C[C@@]12CCC(=O)N1[C@H](C(=O)OCCNc1ncccc1-c1nn[n-]n1)CS2 ZINC000736230538 598736528 /nfs/dbraw/zinc/73/65/28/598736528.db2.gz SRGBUPWKRPQGQX-MEDUHNTESA-N -1 3 389.441 0.671 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@]12CCC(=O)N1CCS2 ZINC000738302435 598737886 /nfs/dbraw/zinc/73/78/86/598737886.db2.gz WTQPFGGDDIMRCW-OAHLLOKOSA-N -1 3 375.414 0.282 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@]12CCC(=O)N1CCS2 ZINC000738302435 598737888 /nfs/dbraw/zinc/73/78/88/598737888.db2.gz WTQPFGGDDIMRCW-OAHLLOKOSA-N -1 3 375.414 0.282 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000738317259 598739474 /nfs/dbraw/zinc/73/94/74/598739474.db2.gz ZXJRANMEDMWAHL-ZJUUUORDSA-N -1 3 399.333 0.674 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000738317259 598739475 /nfs/dbraw/zinc/73/94/75/598739475.db2.gz ZXJRANMEDMWAHL-ZJUUUORDSA-N -1 3 399.333 0.674 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737759501 598743514 /nfs/dbraw/zinc/74/35/14/598743514.db2.gz DBSPQXGPYVRSQT-LBPRGKRZSA-N -1 3 378.396 0.369 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737759501 598743515 /nfs/dbraw/zinc/74/35/15/598743515.db2.gz DBSPQXGPYVRSQT-LBPRGKRZSA-N -1 3 378.396 0.369 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)COc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000737443957 598743801 /nfs/dbraw/zinc/74/38/01/598743801.db2.gz KEMQZMJKWWZLTB-CQSZACIVSA-N -1 3 383.412 0.678 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)COc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000737443957 598743803 /nfs/dbraw/zinc/74/38/03/598743803.db2.gz KEMQZMJKWWZLTB-CQSZACIVSA-N -1 3 383.412 0.678 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737919058 598744279 /nfs/dbraw/zinc/74/42/79/598744279.db2.gz JCUGYBHRVPXHCF-LLVKDONJSA-N -1 3 384.318 0.525 20 0 GCADHM CN(CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)S(C)(=O)=O ZINC000736781103 598745855 /nfs/dbraw/zinc/74/58/55/598745855.db2.gz YQMDDKRSENJWIR-UHFFFAOYSA-N -1 3 394.457 0.128 20 0 GCADHM Cn1cc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c(=O)[nH]c1=O ZINC000737602722 598745965 /nfs/dbraw/zinc/74/59/65/598745965.db2.gz LMWDSRUIDRLAFK-UHFFFAOYSA-N -1 3 397.395 0.350 20 0 GCADHM CS(=O)(=O)N1CCN(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737168111 598745977 /nfs/dbraw/zinc/74/59/77/598745977.db2.gz YUGCSUHYFRJECP-UHFFFAOYSA-N -1 3 385.881 0.509 20 0 GCADHM CS(=O)(=O)N1CCN(CCNc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737168111 598745979 /nfs/dbraw/zinc/74/59/79/598745979.db2.gz YUGCSUHYFRJECP-UHFFFAOYSA-N -1 3 385.881 0.509 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000738102815 598749692 /nfs/dbraw/zinc/74/96/92/598749692.db2.gz VWTUPUGWPFDQCJ-LLVKDONJSA-N -1 3 383.334 0.829 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000738102815 598749694 /nfs/dbraw/zinc/74/96/94/598749694.db2.gz VWTUPUGWPFDQCJ-LLVKDONJSA-N -1 3 383.334 0.829 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OCC1CCOCC1 ZINC000737928075 598750841 /nfs/dbraw/zinc/75/08/41/598750841.db2.gz BWKAPBPMTQTYFF-UHFFFAOYSA-N -1 3 380.426 0.751 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OCC1CCOCC1 ZINC000737928075 598750843 /nfs/dbraw/zinc/75/08/43/598750843.db2.gz BWKAPBPMTQTYFF-UHFFFAOYSA-N -1 3 380.426 0.751 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000738150537 598751503 /nfs/dbraw/zinc/75/15/03/598751503.db2.gz AAQIXVFWZOZJIE-SNVBAGLBSA-N -1 3 397.317 0.085 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000738150537 598751504 /nfs/dbraw/zinc/75/15/04/598751504.db2.gz AAQIXVFWZOZJIE-SNVBAGLBSA-N -1 3 397.317 0.085 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC000824040254 607366130 /nfs/dbraw/zinc/36/61/30/607366130.db2.gz NUVJRHIMEBDFSK-GFCCVEGCSA-N -1 3 397.395 0.509 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC000824040254 607366132 /nfs/dbraw/zinc/36/61/32/607366132.db2.gz NUVJRHIMEBDFSK-GFCCVEGCSA-N -1 3 397.395 0.509 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N(CCO)CCN1CCOCC1 ZINC000823060960 607366172 /nfs/dbraw/zinc/36/61/72/607366172.db2.gz PSKBAZZMHFPSEC-UHFFFAOYSA-N -1 3 392.485 0.112 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N(CCO)CCN1CCOCC1 ZINC000823060960 607366173 /nfs/dbraw/zinc/36/61/73/607366173.db2.gz PSKBAZZMHFPSEC-UHFFFAOYSA-N -1 3 392.485 0.112 20 0 GCADHM COC(=O)c1cn(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000736957421 598755788 /nfs/dbraw/zinc/75/57/88/598755788.db2.gz OOFUANTVGMXTCZ-UHFFFAOYSA-N -1 3 384.400 0.746 20 0 GCADHM NS(=O)(=O)[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737764655 598756835 /nfs/dbraw/zinc/75/68/35/598756835.db2.gz MSJFGAIJSHYGBG-CQSZACIVSA-N -1 3 394.457 0.305 20 0 GCADHM NS(=O)(=O)[C@@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737764655 598756837 /nfs/dbraw/zinc/75/68/37/598756837.db2.gz MSJFGAIJSHYGBG-CQSZACIVSA-N -1 3 394.457 0.305 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736041790 598756906 /nfs/dbraw/zinc/75/69/06/598756906.db2.gz ZFBSNLNRUXVLCA-QMMMGPOBSA-N -1 3 377.423 0.059 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736041789 598757108 /nfs/dbraw/zinc/75/71/08/598757108.db2.gz ZFBSNLNRUXVLCA-MRVPVSSYSA-N -1 3 377.423 0.059 20 0 GCADHM CN(CCNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)CC(F)(F)F ZINC000736800328 598759235 /nfs/dbraw/zinc/75/92/35/598759235.db2.gz JYAOYQUIQMKHOU-UHFFFAOYSA-N -1 3 387.370 0.467 20 0 GCADHM CN(CCNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)CC(F)(F)F ZINC000736800328 598759237 /nfs/dbraw/zinc/75/92/37/598759237.db2.gz JYAOYQUIQMKHOU-UHFFFAOYSA-N -1 3 387.370 0.467 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N(CCO)CCOCC(F)(F)F ZINC000823049271 607366304 /nfs/dbraw/zinc/36/63/04/607366304.db2.gz AEMXHPGWCJPZJF-UHFFFAOYSA-N -1 3 389.334 0.645 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N(CCO)CCOCC(F)(F)F ZINC000823049271 607366307 /nfs/dbraw/zinc/36/63/07/607366307.db2.gz AEMXHPGWCJPZJF-UHFFFAOYSA-N -1 3 389.334 0.645 20 0 GCADHM Cc1nc([C@@H]2CN([C@@H]3CCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCO2)no1 ZINC000737473624 598760952 /nfs/dbraw/zinc/76/09/52/598760952.db2.gz FDYGWNFVSLFEEB-CABCVRRESA-N -1 3 396.411 0.737 20 0 GCADHM Cc1nc([C@@H]2CN([C@@H]3CCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCO2)no1 ZINC000737473624 598760953 /nfs/dbraw/zinc/76/09/53/598760953.db2.gz FDYGWNFVSLFEEB-CABCVRRESA-N -1 3 396.411 0.737 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cn1ncn2nccc2c1=O ZINC000736628643 598763243 /nfs/dbraw/zinc/76/32/43/598763243.db2.gz SAOGNGWXKFRZHZ-UHFFFAOYSA-N -1 3 382.340 0.075 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cn1ncn2nccc2c1=O ZINC000736628643 598763244 /nfs/dbraw/zinc/76/32/44/598763244.db2.gz SAOGNGWXKFRZHZ-UHFFFAOYSA-N -1 3 382.340 0.075 20 0 GCADHM Cc1nc(CN2CCN(C(=O)C=Cc3cccc(-c4nnn[n-]4)c3)CC2)no1 ZINC000737476119 598768032 /nfs/dbraw/zinc/76/80/32/598768032.db2.gz CSNMPZPOTKHZBY-AATRIKPKSA-N -1 3 380.412 0.916 20 0 GCADHM Cc1nc(CN2CCN(C(=O)C=Cc3cccc(-c4nn[n-]n4)c3)CC2)no1 ZINC000737476119 598768034 /nfs/dbraw/zinc/76/80/34/598768034.db2.gz CSNMPZPOTKHZBY-AATRIKPKSA-N -1 3 380.412 0.916 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736987249 598768220 /nfs/dbraw/zinc/76/82/20/598768220.db2.gz WHOZFYKVCZGIME-OAHLLOKOSA-N -1 3 387.488 0.526 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737618745 598768398 /nfs/dbraw/zinc/76/83/98/598768398.db2.gz LRCUQKKMZIMZTJ-UHFFFAOYSA-N -1 3 389.441 0.832 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(CCO)Cc1cccnc1 ZINC000821700488 607366664 /nfs/dbraw/zinc/36/66/64/607366664.db2.gz PWYQWWAINBGDEC-UHFFFAOYSA-N -1 3 384.396 0.670 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CCO)Cc1cccnc1 ZINC000821700488 607366665 /nfs/dbraw/zinc/36/66/65/607366665.db2.gz PWYQWWAINBGDEC-UHFFFAOYSA-N -1 3 384.396 0.670 20 0 GCADHM O=S(=O)(N1CCOCC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738328591 598768906 /nfs/dbraw/zinc/76/89/06/598768906.db2.gz JFHHTECUTBNPFY-UHFFFAOYSA-N -1 3 394.457 0.287 20 0 GCADHM CS(=O)(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000737165687 598770611 /nfs/dbraw/zinc/77/06/11/598770611.db2.gz LMTYZGCEYJAECJ-UHFFFAOYSA-N -1 3 395.395 0.775 20 0 GCADHM CS(=O)(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000737165687 598770612 /nfs/dbraw/zinc/77/06/12/598770612.db2.gz LMTYZGCEYJAECJ-UHFFFAOYSA-N -1 3 395.395 0.775 20 0 GCADHM O=C(NC[C@H]1COCCO1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738052140 598773184 /nfs/dbraw/zinc/77/31/84/598773184.db2.gz RJSDJGRGHULMAI-INIZCTEOSA-N -1 3 388.428 0.835 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735887997 598773867 /nfs/dbraw/zinc/77/38/67/598773867.db2.gz HSPNUOJMOVYTAI-JTQLQIEISA-N -1 3 376.373 0.411 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735887997 598773869 /nfs/dbraw/zinc/77/38/69/598773869.db2.gz HSPNUOJMOVYTAI-JTQLQIEISA-N -1 3 376.373 0.411 20 0 GCADHM NC(=O)CN(Cc1ccccc1)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737746648 598775676 /nfs/dbraw/zinc/77/56/76/598775676.db2.gz JZIMVNAJCZSGMN-MRXNPFEDSA-N -1 3 382.424 0.594 20 0 GCADHM NC(=O)CN(Cc1ccccc1)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737746645 598775827 /nfs/dbraw/zinc/77/58/27/598775827.db2.gz JZIMVNAJCZSGMN-INIZCTEOSA-N -1 3 382.424 0.594 20 0 GCADHM C[C@@H](NS(C)(=O)=O)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736129198 598776700 /nfs/dbraw/zinc/77/67/00/598776700.db2.gz CWYNZXHFHQEGJI-LLVKDONJSA-N -1 3 394.457 0.174 20 0 GCADHM Cc1ccccc1[C@@H](O)CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737421775 598779910 /nfs/dbraw/zinc/77/99/10/598779910.db2.gz NNWLFJFBBRBRAM-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1ccccc1[C@@H](O)CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737421775 598779911 /nfs/dbraw/zinc/77/99/11/598779911.db2.gz NNWLFJFBBRBRAM-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM O=C(NCCn1cncn1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738095239 598784277 /nfs/dbraw/zinc/78/42/77/598784277.db2.gz SSAYEQJWULVZGE-UHFFFAOYSA-N -1 3 383.416 0.711 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000738151966 598784533 /nfs/dbraw/zinc/78/45/33/598784533.db2.gz MJOUNZSTCWBABB-HNNXBMFYSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000738151966 598784535 /nfs/dbraw/zinc/78/45/35/598784535.db2.gz MJOUNZSTCWBABB-HNNXBMFYSA-N -1 3 397.439 0.809 20 0 GCADHM COCCN(CC(F)F)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736994916 598785668 /nfs/dbraw/zinc/78/56/68/598785668.db2.gz NTBODGMBYGFBSL-UHFFFAOYSA-N -1 3 384.343 0.554 20 0 GCADHM COCCN(CC(F)F)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736994916 598785670 /nfs/dbraw/zinc/78/56/70/598785670.db2.gz NTBODGMBYGFBSL-UHFFFAOYSA-N -1 3 384.343 0.554 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000735734809 598791849 /nfs/dbraw/zinc/79/18/49/598791849.db2.gz JQRWDJUPIQGTSH-WBMJQRKESA-N -1 3 382.428 0.993 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000735734809 598791851 /nfs/dbraw/zinc/79/18/51/598791851.db2.gz JQRWDJUPIQGTSH-WBMJQRKESA-N -1 3 382.428 0.993 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)[C@@H](C)CS(C)(=O)=O ZINC000736501826 598792620 /nfs/dbraw/zinc/79/26/20/598792620.db2.gz GZDGQDPECTZAGP-NWDGAFQWSA-N -1 3 381.458 0.916 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)[C@@H](C)CS(C)(=O)=O ZINC000736501826 598792622 /nfs/dbraw/zinc/79/26/22/598792622.db2.gz GZDGQDPECTZAGP-NWDGAFQWSA-N -1 3 381.458 0.916 20 0 GCADHM O=c1ccccn1CCN1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000738380672 598794312 /nfs/dbraw/zinc/79/43/12/598794312.db2.gz RZWLWXNJTGUSKU-UHFFFAOYSA-N -1 3 386.847 0.899 20 0 GCADHM O=c1ccccn1CCN1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000738380672 598794314 /nfs/dbraw/zinc/79/43/14/598794314.db2.gz RZWLWXNJTGUSKU-UHFFFAOYSA-N -1 3 386.847 0.899 20 0 GCADHM CN(CC(=O)NCc1cccs1)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736784949 598794957 /nfs/dbraw/zinc/79/49/57/598794957.db2.gz ZTPYWNVODXIPSR-UHFFFAOYSA-N -1 3 399.480 0.793 20 0 GCADHM CN(CC(=O)NCc1cccs1)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736784949 598794958 /nfs/dbraw/zinc/79/49/58/598794958.db2.gz ZTPYWNVODXIPSR-UHFFFAOYSA-N -1 3 399.480 0.793 20 0 GCADHM CCN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000736520753 598797087 /nfs/dbraw/zinc/79/70/87/598797087.db2.gz BZQGGHLBYYKXOM-GXTWGEPZSA-N -1 3 383.474 0.361 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCCN1CCNC1=O ZINC000737033102 598799007 /nfs/dbraw/zinc/79/90/07/598799007.db2.gz OEZYZVBRCBATGY-UHFFFAOYSA-N -1 3 390.400 0.603 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCCN1CCNC1=O ZINC000737033102 598799009 /nfs/dbraw/zinc/79/90/09/598799009.db2.gz OEZYZVBRCBATGY-UHFFFAOYSA-N -1 3 390.400 0.603 20 0 GCADHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)C1CCS(=O)(=O)CC1 ZINC000738233677 598800525 /nfs/dbraw/zinc/80/05/25/598800525.db2.gz FFHPYGPGAKJCIT-UHFFFAOYSA-N -1 3 375.410 0.987 20 0 GCADHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)C1CCS(=O)(=O)CC1 ZINC000738233677 598800527 /nfs/dbraw/zinc/80/05/27/598800527.db2.gz FFHPYGPGAKJCIT-UHFFFAOYSA-N -1 3 375.410 0.987 20 0 GCADHM CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)ccc21 ZINC000737164717 598804416 /nfs/dbraw/zinc/80/44/16/598804416.db2.gz AJKJQMMIDRMZKW-UHFFFAOYSA-N -1 3 385.409 0.836 20 0 GCADHM CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)ccc21 ZINC000737164717 598804418 /nfs/dbraw/zinc/80/44/18/598804418.db2.gz AJKJQMMIDRMZKW-UHFFFAOYSA-N -1 3 385.409 0.836 20 0 GCADHM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737860792 598805150 /nfs/dbraw/zinc/80/51/50/598805150.db2.gz VKOUISHUSIOVTH-UHFFFAOYSA-N -1 3 378.352 0.706 20 0 GCADHM O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737860792 598805151 /nfs/dbraw/zinc/80/51/51/598805151.db2.gz VKOUISHUSIOVTH-UHFFFAOYSA-N -1 3 378.352 0.706 20 0 GCADHM COCCS(=O)(=O)CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737014955 598806516 /nfs/dbraw/zinc/80/65/16/598806516.db2.gz SLOQTPJKHNXBJW-UHFFFAOYSA-N -1 3 391.413 0.052 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC(CS(N)(=O)=O)CC1 ZINC000735560035 598809489 /nfs/dbraw/zinc/80/94/89/598809489.db2.gz OKAYUCUYJJMVLU-LLVKDONJSA-N -1 3 393.473 0.194 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC(CS(N)(=O)=O)CC1 ZINC000735560035 598809490 /nfs/dbraw/zinc/80/94/90/598809490.db2.gz OKAYUCUYJJMVLU-LLVKDONJSA-N -1 3 393.473 0.194 20 0 GCADHM C[C@@H](O)CN1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000736147925 598812771 /nfs/dbraw/zinc/81/27/71/598812771.db2.gz OFTVZPNXMWEWEL-GFCCVEGCSA-N -1 3 376.465 0.954 20 0 GCADHM C[C@@H](O)CN1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000736147925 598812774 /nfs/dbraw/zinc/81/27/74/598812774.db2.gz OFTVZPNXMWEWEL-GFCCVEGCSA-N -1 3 376.465 0.954 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)CN(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736601729 598813416 /nfs/dbraw/zinc/81/34/16/598813416.db2.gz AGPSQUWVYDERRZ-UHFFFAOYSA-N -1 3 398.427 0.847 20 0 GCADHM CN1C(=S)N=NC1CCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737595589 598815075 /nfs/dbraw/zinc/81/50/75/598815075.db2.gz IKKVNCUOWHHKML-UHFFFAOYSA-N -1 3 390.498 0.876 20 0 GCADHM CN1C(=S)N=NC1CCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737595589 598815076 /nfs/dbraw/zinc/81/50/76/598815076.db2.gz IKKVNCUOWHHKML-UHFFFAOYSA-N -1 3 390.498 0.876 20 0 GCADHM O=C(CN(CCO)CCOCC(F)(F)F)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737865324 598819306 /nfs/dbraw/zinc/81/93/06/598819306.db2.gz QXAIYEMPELSCIT-UHFFFAOYSA-N -1 3 388.350 0.678 20 0 GCADHM O=C(CN(CCO)CCOCC(F)(F)F)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737865324 598819308 /nfs/dbraw/zinc/81/93/08/598819308.db2.gz QXAIYEMPELSCIT-UHFFFAOYSA-N -1 3 388.350 0.678 20 0 GCADHM CCN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CS(=O)(=O)CC ZINC000736511991 598820110 /nfs/dbraw/zinc/82/01/10/598820110.db2.gz XCGNMNMSPKHLPQ-LBPRGKRZSA-N -1 3 380.474 0.950 20 0 GCADHM CCN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CS(=O)(=O)CC ZINC000736511991 598820112 /nfs/dbraw/zinc/82/01/12/598820112.db2.gz XCGNMNMSPKHLPQ-LBPRGKRZSA-N -1 3 380.474 0.950 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000737963034 598820529 /nfs/dbraw/zinc/82/05/29/598820529.db2.gz QPRWCEMKNXSZOB-UHFFFAOYSA-N -1 3 393.407 0.494 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000737963034 598820531 /nfs/dbraw/zinc/82/05/31/598820531.db2.gz QPRWCEMKNXSZOB-UHFFFAOYSA-N -1 3 393.407 0.494 20 0 GCADHM COCCN(CCC(=O)OC)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736994423 598822623 /nfs/dbraw/zinc/82/26/23/598822623.db2.gz HRQPTJAEBSJRJT-UHFFFAOYSA-N -1 3 379.442 0.997 20 0 GCADHM COCCN(CCC(=O)OC)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736994423 598822624 /nfs/dbraw/zinc/82/26/24/598822624.db2.gz HRQPTJAEBSJRJT-UHFFFAOYSA-N -1 3 379.442 0.997 20 0 GCADHM COCCn1cc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)ccc1=O ZINC000737016112 599293900 /nfs/dbraw/zinc/29/39/00/599293900.db2.gz JDSKYJAKAFPXBX-UHFFFAOYSA-N -1 3 388.413 0.229 20 0 GCADHM COCCn1cc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)ccc1=O ZINC000737016112 599293901 /nfs/dbraw/zinc/29/39/01/599293901.db2.gz JDSKYJAKAFPXBX-UHFFFAOYSA-N -1 3 388.413 0.229 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000738207490 599294786 /nfs/dbraw/zinc/29/47/86/599294786.db2.gz CCHCUFHPDWCFPQ-SECBINFHSA-N -1 3 388.457 0.899 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000738207490 599294787 /nfs/dbraw/zinc/29/47/87/599294787.db2.gz CCHCUFHPDWCFPQ-SECBINFHSA-N -1 3 388.457 0.899 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000736171615 599296163 /nfs/dbraw/zinc/29/61/63/599296163.db2.gz XIAYSCQZVHWMEJ-ZQIUZPCESA-N -1 3 386.456 0.813 20 0 GCADHM CC(C)CN1C[C@@H](C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)CC1=O ZINC000735832317 599297913 /nfs/dbraw/zinc/29/79/13/599297913.db2.gz ZNMIQMHBPNYVTP-VIFPVBQESA-N -1 3 376.446 0.612 20 0 GCADHM CCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000736414645 599298554 /nfs/dbraw/zinc/29/85/54/599298554.db2.gz ZCRBVDCDDOUASY-MRVPVSSYSA-N -1 3 394.486 0.809 20 0 GCADHM CCCC(=O)N1CSC[C@@H]1C(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000736414645 599298555 /nfs/dbraw/zinc/29/85/55/599298555.db2.gz ZCRBVDCDDOUASY-MRVPVSSYSA-N -1 3 394.486 0.809 20 0 GCADHM CC[C@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000736413671 599299034 /nfs/dbraw/zinc/29/90/34/599299034.db2.gz YOABOHQNERTLJE-HOCLYGCPSA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000736413671 599299036 /nfs/dbraw/zinc/29/90/36/599299036.db2.gz YOABOHQNERTLJE-HOCLYGCPSA-N -1 3 386.456 0.815 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738355782 599301554 /nfs/dbraw/zinc/30/15/54/599301554.db2.gz SQDWRKLPBWGLMB-LLVKDONJSA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738355782 599301557 /nfs/dbraw/zinc/30/15/57/599301557.db2.gz SQDWRKLPBWGLMB-LLVKDONJSA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000738347791 599301624 /nfs/dbraw/zinc/30/16/24/599301624.db2.gz NYRLUKRBLUMVFQ-GFCCVEGCSA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000738347791 599301627 /nfs/dbraw/zinc/30/16/27/599301627.db2.gz NYRLUKRBLUMVFQ-GFCCVEGCSA-N -1 3 382.421 0.101 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000737288620 599303486 /nfs/dbraw/zinc/30/34/86/599303486.db2.gz LZOSWXKQVIJMTB-CQSZACIVSA-N -1 3 385.428 0.047 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000737288620 599303488 /nfs/dbraw/zinc/30/34/88/599303488.db2.gz LZOSWXKQVIJMTB-CQSZACIVSA-N -1 3 385.428 0.047 20 0 GCADHM CC(C)N1C(=O)CN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1(C)C ZINC000820126921 599308212 /nfs/dbraw/zinc/30/82/12/599308212.db2.gz FIMLDMAHJRTXSA-HNNXBMFYSA-N -1 3 388.472 0.938 20 0 GCADHM CCS(=O)(=O)CCN1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736656246 599312369 /nfs/dbraw/zinc/31/23/69/599312369.db2.gz IZLKGVUATYZDRE-UHFFFAOYSA-N -1 3 392.485 0.952 20 0 GCADHM CCS(=O)(=O)CCN1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736656246 599312371 /nfs/dbraw/zinc/31/23/71/599312371.db2.gz IZLKGVUATYZDRE-UHFFFAOYSA-N -1 3 392.485 0.952 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000737270648 599314715 /nfs/dbraw/zinc/31/47/15/599314715.db2.gz FCUGCAJMPLEKJZ-ZDUSSCGKSA-N -1 3 396.411 0.209 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000737270648 599314717 /nfs/dbraw/zinc/31/47/17/599314717.db2.gz FCUGCAJMPLEKJZ-ZDUSSCGKSA-N -1 3 396.411 0.209 20 0 GCADHM O=C(CN1CCN(c2cccc(Cl)c2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC000822996984 599315825 /nfs/dbraw/zinc/31/58/25/599315825.db2.gz KUWNEJKZSMKHMB-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM O=C(CN1CCN(c2cccc(Cl)c2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC000822996984 599315828 /nfs/dbraw/zinc/31/58/28/599315828.db2.gz KUWNEJKZSMKHMB-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)COc3ccccc3-c3nnn[n-]3)C2)n[nH]1 ZINC000737754524 599316465 /nfs/dbraw/zinc/31/64/65/599316465.db2.gz FEOLJZLAGISYGH-NSHDSACASA-N -1 3 396.411 0.474 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)COc3ccccc3-c3nn[n-]n3)C2)n[nH]1 ZINC000737754524 599316468 /nfs/dbraw/zinc/31/64/68/599316468.db2.gz FEOLJZLAGISYGH-NSHDSACASA-N -1 3 396.411 0.474 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000277337429 599319209 /nfs/dbraw/zinc/31/92/09/599319209.db2.gz WASLKFDZVFXDKV-KBPBESRZSA-N -1 3 388.428 0.853 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000277337429 599319212 /nfs/dbraw/zinc/31/92/12/599319212.db2.gz WASLKFDZVFXDKV-KBPBESRZSA-N -1 3 388.428 0.853 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)Cn2ccnc2)nn1-c1ccccc1 ZINC000737770728 599319674 /nfs/dbraw/zinc/31/96/74/599319674.db2.gz XLVWHLVNLLSMPT-UHFFFAOYSA-N -1 3 392.427 0.580 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)Cn2ccnc2)nn1-c1ccccc1 ZINC000737770728 599319677 /nfs/dbraw/zinc/31/96/77/599319677.db2.gz XLVWHLVNLLSMPT-UHFFFAOYSA-N -1 3 392.427 0.580 20 0 GCADHM O=C([C@H](O)C1CCOCC1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737780305 599321062 /nfs/dbraw/zinc/32/10/62/599321062.db2.gz BAOHCLVIOKFTRB-QGZVFWFLSA-N -1 3 386.456 0.693 20 0 GCADHM O=C([C@H](O)C1CCOCC1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737780305 599321066 /nfs/dbraw/zinc/32/10/66/599321066.db2.gz BAOHCLVIOKFTRB-QGZVFWFLSA-N -1 3 386.456 0.693 20 0 GCADHM O=C(CN1CCN(c2ccccn2)CC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000822997282 599323735 /nfs/dbraw/zinc/32/37/35/599323735.db2.gz OMTIQMQYQMKFSB-UHFFFAOYSA-N -1 3 396.430 0.839 20 0 GCADHM O=C(CN1CCN(c2ccccn2)CC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000822997282 599323736 /nfs/dbraw/zinc/32/37/36/599323736.db2.gz OMTIQMQYQMKFSB-UHFFFAOYSA-N -1 3 396.430 0.839 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)CS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736831488 599323879 /nfs/dbraw/zinc/32/38/79/599323879.db2.gz LQKRXYIXBIEXGT-UHFFFAOYSA-N -1 3 393.404 0.172 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)CS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736831488 599323881 /nfs/dbraw/zinc/32/38/81/599323881.db2.gz LQKRXYIXBIEXGT-UHFFFAOYSA-N -1 3 393.404 0.172 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820450813 599325144 /nfs/dbraw/zinc/32/51/44/599325144.db2.gz PHXVALVAHHWEBP-NSHDSACASA-N -1 3 397.424 0.882 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820450813 599325147 /nfs/dbraw/zinc/32/51/47/599325147.db2.gz PHXVALVAHHWEBP-NSHDSACASA-N -1 3 397.424 0.882 20 0 GCADHM C[C@H](O)C1CCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820469220 599328675 /nfs/dbraw/zinc/32/86/75/599328675.db2.gz YOMXOEUGTSKINV-ZDUSSCGKSA-N -1 3 399.455 0.681 20 0 GCADHM C[C@H](O)C1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)CC1 ZINC000820469220 599328679 /nfs/dbraw/zinc/32/86/79/599328679.db2.gz YOMXOEUGTSKINV-ZDUSSCGKSA-N -1 3 399.455 0.681 20 0 GCADHM C[C@@H](O)C1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000820467452 599329225 /nfs/dbraw/zinc/32/92/25/599329225.db2.gz HSBXNMXWMLNWNN-CYBMUJFWSA-N -1 3 399.455 0.681 20 0 GCADHM C[C@@H](O)C1CCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820469217 599329365 /nfs/dbraw/zinc/32/93/65/599329365.db2.gz YOMXOEUGTSKINV-CYBMUJFWSA-N -1 3 399.455 0.681 20 0 GCADHM C[C@@H](O)C1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)CC1 ZINC000820469217 599329367 /nfs/dbraw/zinc/32/93/67/599329367.db2.gz YOMXOEUGTSKINV-CYBMUJFWSA-N -1 3 399.455 0.681 20 0 GCADHM NC(=O)c1ccc(OCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826393211 607369436 /nfs/dbraw/zinc/36/94/36/607369436.db2.gz HWAWUCOFQXOWNN-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM NC(=O)c1ccc(OCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826393211 607369438 /nfs/dbraw/zinc/36/94/38/607369438.db2.gz HWAWUCOFQXOWNN-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821664001 599335705 /nfs/dbraw/zinc/33/57/05/599335705.db2.gz YGWUNDLLLOCDMM-UHFFFAOYSA-N -1 3 391.413 0.057 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821664001 599335706 /nfs/dbraw/zinc/33/57/06/599335706.db2.gz YGWUNDLLLOCDMM-UHFFFAOYSA-N -1 3 391.413 0.057 20 0 GCADHM CCOC(=O)C(=O)N1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736587787 599343952 /nfs/dbraw/zinc/34/39/52/599343952.db2.gz YXTGNXBTGGQQSO-FPLPWBNLSA-N -1 3 384.396 0.114 20 0 GCADHM CCOC(=O)C(=O)N1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736587787 599343955 /nfs/dbraw/zinc/34/39/55/599343955.db2.gz YXTGNXBTGGQQSO-FPLPWBNLSA-N -1 3 384.396 0.114 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823567586 599344050 /nfs/dbraw/zinc/34/40/50/599344050.db2.gz SIJJUNXCLWPOFI-UHFFFAOYSA-N -1 3 375.414 0.507 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823567586 599344052 /nfs/dbraw/zinc/34/40/52/599344052.db2.gz SIJJUNXCLWPOFI-UHFFFAOYSA-N -1 3 375.414 0.507 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)[nH]1 ZINC000737478968 599344266 /nfs/dbraw/zinc/34/42/66/599344266.db2.gz XXJPCULMCXXWIM-UHFFFAOYSA-N -1 3 383.416 0.016 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000737925523 599344723 /nfs/dbraw/zinc/34/47/23/599344723.db2.gz UOLXIVPZZHMJSF-ZDUSSCGKSA-N -1 3 380.412 0.821 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000737925523 599344725 /nfs/dbraw/zinc/34/47/25/599344725.db2.gz UOLXIVPZZHMJSF-ZDUSSCGKSA-N -1 3 380.412 0.821 20 0 GCADHM C[C@H](O)C1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736141364 599345642 /nfs/dbraw/zinc/34/56/42/599345642.db2.gz IIHAIVRSFXPUNL-NSHDSACASA-N -1 3 382.428 0.868 20 0 GCADHM C[C@H](O)C1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000736141364 599345645 /nfs/dbraw/zinc/34/56/45/599345645.db2.gz IIHAIVRSFXPUNL-NSHDSACASA-N -1 3 382.428 0.868 20 0 GCADHM CN([C@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821592452 599349777 /nfs/dbraw/zinc/34/97/77/599349777.db2.gz GYBIAVLUIBREDH-UONOGXRCSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821592452 599349780 /nfs/dbraw/zinc/34/97/80/599349780.db2.gz GYBIAVLUIBREDH-UONOGXRCSA-N -1 3 399.498 0.843 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824093668 607370972 /nfs/dbraw/zinc/37/09/72/607370972.db2.gz JDNUUONRTNEGQV-UHFFFAOYSA-N -1 3 381.414 0.311 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824093668 607370973 /nfs/dbraw/zinc/37/09/73/607370973.db2.gz JDNUUONRTNEGQV-UHFFFAOYSA-N -1 3 381.414 0.311 20 0 GCADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000822496389 599357401 /nfs/dbraw/zinc/35/74/01/599357401.db2.gz LEQPZSVZNACUGS-UHFFFAOYSA-N -1 3 397.848 0.919 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823607676 599359768 /nfs/dbraw/zinc/35/97/68/599359768.db2.gz VZMNLWAOUPWPKV-ZDUSSCGKSA-N -1 3 378.458 0.210 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823607676 599359770 /nfs/dbraw/zinc/35/97/70/599359770.db2.gz VZMNLWAOUPWPKV-ZDUSSCGKSA-N -1 3 378.458 0.210 20 0 GCADHM COCCc1noc(CN(c2cccc(-c3nnn[n-]3)c2)S(C)(=O)=O)n1 ZINC000737012735 599363949 /nfs/dbraw/zinc/36/39/49/599363949.db2.gz ANSXGWWOYVNLHH-UHFFFAOYSA-N -1 3 379.402 0.405 20 0 GCADHM COCCc1noc(CN(c2cccc(-c3nn[n-]n3)c2)S(C)(=O)=O)n1 ZINC000737012735 599363952 /nfs/dbraw/zinc/36/39/52/599363952.db2.gz ANSXGWWOYVNLHH-UHFFFAOYSA-N -1 3 379.402 0.405 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000822222884 599367037 /nfs/dbraw/zinc/36/70/37/599367037.db2.gz XECDLXBHWSBAFL-HNNXBMFYSA-N -1 3 392.485 0.660 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000822222884 599367039 /nfs/dbraw/zinc/36/70/39/599367039.db2.gz XECDLXBHWSBAFL-HNNXBMFYSA-N -1 3 392.485 0.660 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c[nH]1 ZINC000821667929 599367298 /nfs/dbraw/zinc/36/72/98/599367298.db2.gz HEGUHTWCEQKXMO-UHFFFAOYSA-N -1 3 380.361 0.599 20 0 GCADHM C[C@@H](OC(=O)[C@H](O)C1CCOCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736154618 599367323 /nfs/dbraw/zinc/36/73/23/599367323.db2.gz XBYUILZFXJSIMB-QMTHXVAHSA-N -1 3 375.385 0.524 20 0 GCADHM C[C@@H](OC(=O)[C@H](O)C1CCOCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736154618 599367325 /nfs/dbraw/zinc/36/73/25/599367325.db2.gz XBYUILZFXJSIMB-QMTHXVAHSA-N -1 3 375.385 0.524 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H]1CN1CCOCC1 ZINC000823567361 599367755 /nfs/dbraw/zinc/36/77/55/599367755.db2.gz RKEYFEZSGGYGKI-INIZCTEOSA-N -1 3 392.485 0.493 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H]1CN1CCOCC1 ZINC000823567361 599367757 /nfs/dbraw/zinc/36/77/57/599367757.db2.gz RKEYFEZSGGYGKI-INIZCTEOSA-N -1 3 392.485 0.493 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000823567362 599367923 /nfs/dbraw/zinc/36/79/23/599367923.db2.gz RKEYFEZSGGYGKI-MRXNPFEDSA-N -1 3 392.485 0.493 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000823567362 599367926 /nfs/dbraw/zinc/36/79/26/599367926.db2.gz RKEYFEZSGGYGKI-MRXNPFEDSA-N -1 3 392.485 0.493 20 0 GCADHM CCc1nncn1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821553019 599372353 /nfs/dbraw/zinc/37/23/53/599372353.db2.gz DXUOGONXTHYTJH-UHFFFAOYSA-N -1 3 382.837 0.653 20 0 GCADHM CCc1nncn1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821553019 599372356 /nfs/dbraw/zinc/37/23/56/599372356.db2.gz DXUOGONXTHYTJH-UHFFFAOYSA-N -1 3 382.837 0.653 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000823595154 599373206 /nfs/dbraw/zinc/37/32/06/599373206.db2.gz XXHHUWUGQAOFCY-HNNXBMFYSA-N -1 3 392.485 0.742 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000823595154 599373209 /nfs/dbraw/zinc/37/32/09/599373209.db2.gz XXHHUWUGQAOFCY-HNNXBMFYSA-N -1 3 392.485 0.742 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1=O ZINC000820674875 599373662 /nfs/dbraw/zinc/37/36/62/599373662.db2.gz GWLVCJFXZPVKKG-VYUIOLGVSA-N -1 3 380.405 0.293 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000820674875 599373666 /nfs/dbraw/zinc/37/36/66/599373666.db2.gz GWLVCJFXZPVKKG-VYUIOLGVSA-N -1 3 380.405 0.293 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000820678314 599374429 /nfs/dbraw/zinc/37/44/29/599374429.db2.gz UZLVVWMCANMMRJ-HONMWMINSA-N -1 3 376.442 0.295 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000820678314 599374432 /nfs/dbraw/zinc/37/44/32/599374432.db2.gz UZLVVWMCANMMRJ-HONMWMINSA-N -1 3 376.442 0.295 20 0 GCADHM COC[C@]1(C)NC(=O)N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1=O ZINC000821683960 599383984 /nfs/dbraw/zinc/38/39/84/599383984.db2.gz OLDQCLRVFAOHIO-INIZCTEOSA-N -1 3 384.356 0.374 20 0 GCADHM COC[C@]1(C)NC(=O)N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1=O ZINC000821683960 599383985 /nfs/dbraw/zinc/38/39/85/599383985.db2.gz OLDQCLRVFAOHIO-INIZCTEOSA-N -1 3 384.356 0.374 20 0 GCADHM COCCc1noc(CN(c2ccc(-c3nn[n-]n3)cc2)S(C)(=O)=O)n1 ZINC000821694579 599384244 /nfs/dbraw/zinc/38/42/44/599384244.db2.gz SVORCGXOIMOZTP-UHFFFAOYSA-N -1 3 379.402 0.405 20 0 GCADHM C[C@H](Oc1ccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1)C(N)=O ZINC000820536913 599385405 /nfs/dbraw/zinc/38/54/05/599385405.db2.gz YNVOQAXUGABGLU-LBPRGKRZSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@H](Oc1ccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1)C(N)=O ZINC000820536913 599385408 /nfs/dbraw/zinc/38/54/08/599385408.db2.gz YNVOQAXUGABGLU-LBPRGKRZSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000736185465 599390975 /nfs/dbraw/zinc/39/09/75/599390975.db2.gz VHKKFCLQUFJIMM-GRYCIOLGSA-N -1 3 379.442 0.668 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000736185465 599390979 /nfs/dbraw/zinc/39/09/79/599390979.db2.gz VHKKFCLQUFJIMM-GRYCIOLGSA-N -1 3 379.442 0.668 20 0 GCADHM O=c1cc(CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)nc2sccn21 ZINC000738379472 599401100 /nfs/dbraw/zinc/40/11/00/599401100.db2.gz JJWRVWOSHIQQJA-UHFFFAOYSA-N -1 3 395.452 0.653 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826233592 607373682 /nfs/dbraw/zinc/37/36/82/607373682.db2.gz NKYQWSRSOXECEJ-UHFFFAOYSA-N -1 3 393.363 0.480 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826233592 607373684 /nfs/dbraw/zinc/37/36/84/607373684.db2.gz NKYQWSRSOXECEJ-UHFFFAOYSA-N -1 3 393.363 0.480 20 0 GCADHM O=C(CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)NCc1ccccc1 ZINC000737883557 599403216 /nfs/dbraw/zinc/40/32/16/599403216.db2.gz QULKSQSMGXATDU-UHFFFAOYSA-N -1 3 378.440 0.700 20 0 GCADHM C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357698 599406323 /nfs/dbraw/zinc/40/63/23/599406323.db2.gz ISEQXUVZPYFWPU-NSHDSACASA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357698 599406325 /nfs/dbraw/zinc/40/63/25/599406325.db2.gz ISEQXUVZPYFWPU-NSHDSACASA-N -1 3 393.473 0.651 20 0 GCADHM CNC(=O)CN1CCC(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821632886 599407643 /nfs/dbraw/zinc/40/76/43/599407643.db2.gz NDPKDHAQKINIAE-UHFFFAOYSA-N -1 3 390.423 0.015 20 0 GCADHM COC(=O)[C@@H](c1cccnc1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821651512 607374432 /nfs/dbraw/zinc/37/44/32/607374432.db2.gz AQJKRBSMWVVXBY-OAHLLOKOSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@@H](c1cccnc1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821651512 607374433 /nfs/dbraw/zinc/37/44/33/607374433.db2.gz AQJKRBSMWVVXBY-OAHLLOKOSA-N -1 3 380.412 0.693 20 0 GCADHM COCC(=O)Nc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821680437 599411197 /nfs/dbraw/zinc/41/11/97/599411197.db2.gz JBZNZIKJWVKLAH-NSHDSACASA-N -1 3 383.416 0.802 20 0 GCADHM COCC(=O)Nc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821680437 599411198 /nfs/dbraw/zinc/41/11/98/599411198.db2.gz JBZNZIKJWVKLAH-NSHDSACASA-N -1 3 383.416 0.802 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000822689194 599413510 /nfs/dbraw/zinc/41/35/10/599413510.db2.gz HYPFAEGTOGZQIB-CQSZACIVSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822689194 599413511 /nfs/dbraw/zinc/41/35/11/599413511.db2.gz HYPFAEGTOGZQIB-CQSZACIVSA-N -1 3 395.427 0.595 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)NCc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822205647 599415643 /nfs/dbraw/zinc/41/56/43/599415643.db2.gz CBNFXMIPNPPVDC-CQSZACIVSA-N -1 3 395.427 0.513 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)NCc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822205647 599415647 /nfs/dbraw/zinc/41/56/47/599415647.db2.gz CBNFXMIPNPPVDC-CQSZACIVSA-N -1 3 395.427 0.513 20 0 GCADHM CC(C)Cn1ccnc1CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820108520 599424551 /nfs/dbraw/zinc/42/45/51/599424551.db2.gz LTBZQHIAOGNDLU-UHFFFAOYSA-N -1 3 382.428 0.765 20 0 GCADHM CC(C)Cn1ccnc1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820108520 599424555 /nfs/dbraw/zinc/42/45/55/599424555.db2.gz LTBZQHIAOGNDLU-UHFFFAOYSA-N -1 3 382.428 0.765 20 0 GCADHM C[C@@H](NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCOC1 ZINC000820358902 599430290 /nfs/dbraw/zinc/43/02/90/599430290.db2.gz QEODDSCTBBIETA-OCCSQVGLSA-N -1 3 386.460 0.955 20 0 GCADHM C[C@@H](NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCOC1 ZINC000820358902 599430293 /nfs/dbraw/zinc/43/02/93/599430293.db2.gz QEODDSCTBBIETA-OCCSQVGLSA-N -1 3 386.460 0.955 20 0 GCADHM CC1(C)COCCN1CCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820607002 599444012 /nfs/dbraw/zinc/44/40/12/599444012.db2.gz HZMNZFDYGGIRRU-UHFFFAOYSA-N -1 3 389.460 0.656 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736227040 599446371 /nfs/dbraw/zinc/44/63/71/599446371.db2.gz BWDBBTCIQUTSLM-NEPJUHHUSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736227040 599446374 /nfs/dbraw/zinc/44/63/74/599446374.db2.gz BWDBBTCIQUTSLM-NEPJUHHUSA-N -1 3 378.458 0.703 20 0 GCADHM Cc1nc(CNC(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)no1 ZINC000822444138 599448715 /nfs/dbraw/zinc/44/87/15/599448715.db2.gz CVNDTCLMCSSEFE-UHFFFAOYSA-N -1 3 387.379 0.729 20 0 GCADHM Cc1nc(CNC(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)no1 ZINC000822444138 599448717 /nfs/dbraw/zinc/44/87/17/599448717.db2.gz CVNDTCLMCSSEFE-UHFFFAOYSA-N -1 3 387.379 0.729 20 0 GCADHM Cn1cc([C@H](O)CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822670005 599449052 /nfs/dbraw/zinc/44/90/52/599449052.db2.gz XWHPMVHXFPDFEF-HZPDHXFCSA-N -1 3 382.428 0.419 20 0 GCADHM C[C@](O)(CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)c1ccco1 ZINC000820468069 599449595 /nfs/dbraw/zinc/44/95/95/599449595.db2.gz QFZNYYRQOZGVLI-SFHVURJKSA-N -1 3 394.395 0.865 20 0 GCADHM C[C@](O)(CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)c1ccco1 ZINC000820468069 599449598 /nfs/dbraw/zinc/44/95/98/599449598.db2.gz QFZNYYRQOZGVLI-SFHVURJKSA-N -1 3 394.395 0.865 20 0 GCADHM CC(=O)NCC1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819802620 599451131 /nfs/dbraw/zinc/45/11/31/599451131.db2.gz GQLDXJMYZHCLHH-UHFFFAOYSA-N -1 3 387.444 0.803 20 0 GCADHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822491883 599451239 /nfs/dbraw/zinc/45/12/39/599451239.db2.gz IIUVJHBBFIPHJJ-LLVKDONJSA-N -1 3 398.475 0.954 20 0 GCADHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822491883 599451242 /nfs/dbraw/zinc/45/12/42/599451242.db2.gz IIUVJHBBFIPHJJ-LLVKDONJSA-N -1 3 398.475 0.954 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000737297901 599452450 /nfs/dbraw/zinc/45/24/50/599452450.db2.gz FCEKTSVXQKWWRI-WDEREUQCSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000737297901 599452452 /nfs/dbraw/zinc/45/24/52/599452452.db2.gz FCEKTSVXQKWWRI-WDEREUQCSA-N -1 3 385.471 0.371 20 0 GCADHM CCN(C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(C)(=O)=O ZINC000821154777 599454248 /nfs/dbraw/zinc/45/42/48/599454248.db2.gz RHMKRCYISKVWMC-GFCCVEGCSA-N -1 3 396.473 0.710 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1Cn1nnnc1CNC(=O)OC(C)(C)C ZINC000821752960 607380249 /nfs/dbraw/zinc/38/02/49/607380249.db2.gz XCXZYEAWIFWQDU-UHFFFAOYSA-N -1 3 387.404 0.935 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1Cn1nnnc1CNC(=O)OC(C)(C)C ZINC000821752960 607380251 /nfs/dbraw/zinc/38/02/51/607380251.db2.gz XCXZYEAWIFWQDU-UHFFFAOYSA-N -1 3 387.404 0.935 20 0 GCADHM O=C1NC(=O)[C@@]2(CCN(C(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)N1 ZINC000738315563 599464749 /nfs/dbraw/zinc/46/47/49/599464749.db2.gz KNYRVFFUUMUDTA-AWEZNQCLSA-N -1 3 392.832 0.501 20 0 GCADHM O=C1NC(=O)[C@@]2(CCN(C(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)N1 ZINC000738315563 599464751 /nfs/dbraw/zinc/46/47/51/599464751.db2.gz KNYRVFFUUMUDTA-AWEZNQCLSA-N -1 3 392.832 0.501 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCN(c2cccnn2)CC1 ZINC000823235101 599468240 /nfs/dbraw/zinc/46/82/40/599468240.db2.gz RHQCDTUZIMXSNC-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCN(c2cccnn2)CC1 ZINC000823235101 599468241 /nfs/dbraw/zinc/46/82/41/599468241.db2.gz RHQCDTUZIMXSNC-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000735736638 599469384 /nfs/dbraw/zinc/46/93/84/599469384.db2.gz YGQJLVQAAVQKDE-FZKQIMNGSA-N -1 3 399.411 0.081 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000735736638 599469386 /nfs/dbraw/zinc/46/93/86/599469386.db2.gz YGQJLVQAAVQKDE-FZKQIMNGSA-N -1 3 399.411 0.081 20 0 GCADHM C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348170 599470286 /nfs/dbraw/zinc/47/02/86/599470286.db2.gz APXIDDMBOHRZQN-LBPRGKRZSA-N -1 3 393.473 0.605 20 0 GCADHM C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348170 599470287 /nfs/dbraw/zinc/47/02/87/599470287.db2.gz APXIDDMBOHRZQN-LBPRGKRZSA-N -1 3 393.473 0.605 20 0 GCADHM CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736411226 599470559 /nfs/dbraw/zinc/47/05/59/599470559.db2.gz PPJHKNUFRZGWCU-OAHLLOKOSA-N -1 3 381.444 0.695 20 0 GCADHM CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736411226 599470562 /nfs/dbraw/zinc/47/05/62/599470562.db2.gz PPJHKNUFRZGWCU-OAHLLOKOSA-N -1 3 381.444 0.695 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000737022727 599470872 /nfs/dbraw/zinc/47/08/72/599470872.db2.gz AKMCNXXKBNGBRU-XEUAEHQWSA-N -1 3 379.442 0.622 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000737022727 599470875 /nfs/dbraw/zinc/47/08/75/599470875.db2.gz AKMCNXXKBNGBRU-XEUAEHQWSA-N -1 3 379.442 0.622 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821636152 599474821 /nfs/dbraw/zinc/47/48/21/599474821.db2.gz HIIYKTJHNDUMPN-LLVKDONJSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821636152 599474823 /nfs/dbraw/zinc/47/48/23/599474823.db2.gz HIIYKTJHNDUMPN-LLVKDONJSA-N -1 3 393.473 0.651 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)n1C ZINC000736780654 599480491 /nfs/dbraw/zinc/48/04/91/599480491.db2.gz ZANNXNSOHYYZIE-UHFFFAOYSA-N -1 3 376.446 0.286 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCc1cnc(N(C)C)n1C ZINC000737301929 599481233 /nfs/dbraw/zinc/48/12/33/599481233.db2.gz XBPRKTGIGPQVJF-UHFFFAOYSA-N -1 3 376.446 0.453 20 0 GCADHM O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823005200 599490484 /nfs/dbraw/zinc/49/04/84/599490484.db2.gz GZQMGWBIWKBSNU-UHFFFAOYSA-N -1 3 398.354 0.781 20 0 GCADHM O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823005200 599490487 /nfs/dbraw/zinc/49/04/87/599490487.db2.gz GZQMGWBIWKBSNU-UHFFFAOYSA-N -1 3 398.354 0.781 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CC(=O)N(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000822894626 599498659 /nfs/dbraw/zinc/49/86/59/599498659.db2.gz DNLOKUBSIMXXER-LLVKDONJSA-N -1 3 399.436 0.732 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CC(=O)N(c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000822894626 599498661 /nfs/dbraw/zinc/49/86/61/599498661.db2.gz DNLOKUBSIMXXER-LLVKDONJSA-N -1 3 399.436 0.732 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000737063627 599501989 /nfs/dbraw/zinc/50/19/89/599501989.db2.gz ZREBGLDEEMGINS-UHFFFAOYSA-N -1 3 397.399 0.994 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736609379 599504029 /nfs/dbraw/zinc/50/40/29/599504029.db2.gz QJCGWSVGIBXTHW-CYBMUJFWSA-N -1 3 393.423 0.553 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736609379 599504030 /nfs/dbraw/zinc/50/40/30/599504030.db2.gz QJCGWSVGIBXTHW-CYBMUJFWSA-N -1 3 393.423 0.553 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000738075249 599507517 /nfs/dbraw/zinc/50/75/17/599507517.db2.gz OEHZXTALJSLKKC-UHFFFAOYSA-N -1 3 394.399 0.096 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000738075249 599507518 /nfs/dbraw/zinc/50/75/18/599507518.db2.gz OEHZXTALJSLKKC-UHFFFAOYSA-N -1 3 394.399 0.096 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1cc(C)nn1C ZINC000736997657 599508803 /nfs/dbraw/zinc/50/88/03/599508803.db2.gz UBXXVSKPPUWBIE-UHFFFAOYSA-N -1 3 398.427 0.522 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1cc(C)nn1C ZINC000736997657 599508805 /nfs/dbraw/zinc/50/88/05/599508805.db2.gz UBXXVSKPPUWBIE-UHFFFAOYSA-N -1 3 398.427 0.522 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)n(C)n1 ZINC000737273160 599509709 /nfs/dbraw/zinc/50/97/09/599509709.db2.gz YGPXPPYSPKAYDW-UHFFFAOYSA-N -1 3 395.427 0.196 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)n(C)n1 ZINC000737273160 599509710 /nfs/dbraw/zinc/50/97/10/599509710.db2.gz YGPXPPYSPKAYDW-UHFFFAOYSA-N -1 3 395.427 0.196 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1cccc2[nH]ccc21 ZINC000738078243 599509775 /nfs/dbraw/zinc/50/97/75/599509775.db2.gz OXEGWVWAUNCWAJ-UHFFFAOYSA-N -1 3 391.395 0.910 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1cccc2[nH]ccc21 ZINC000738078243 599509777 /nfs/dbraw/zinc/50/97/77/599509777.db2.gz OXEGWVWAUNCWAJ-UHFFFAOYSA-N -1 3 391.395 0.910 20 0 GCADHM CC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736315362 599513018 /nfs/dbraw/zinc/51/30/18/599513018.db2.gz ISPQXIGQFQIUHC-HNNXBMFYSA-N -1 3 384.343 0.684 20 0 GCADHM CC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736315362 599513020 /nfs/dbraw/zinc/51/30/20/599513020.db2.gz ISPQXIGQFQIUHC-HNNXBMFYSA-N -1 3 384.343 0.684 20 0 GCADHM CN(CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000736800284 599513959 /nfs/dbraw/zinc/51/39/59/599513959.db2.gz ITDYCVAUZCRKPY-UHFFFAOYSA-N -1 3 389.416 0.788 20 0 GCADHM CN(CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736800284 599513962 /nfs/dbraw/zinc/51/39/62/599513962.db2.gz ITDYCVAUZCRKPY-UHFFFAOYSA-N -1 3 389.416 0.788 20 0 GCADHM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736894392 599514148 /nfs/dbraw/zinc/51/41/48/599514148.db2.gz VNNACEVZXIPHRC-SSDOTTSWSA-N -1 3 398.326 0.332 20 0 GCADHM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736894392 599514150 /nfs/dbraw/zinc/51/41/50/599514150.db2.gz VNNACEVZXIPHRC-SSDOTTSWSA-N -1 3 398.326 0.332 20 0 GCADHM CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735644523 599515022 /nfs/dbraw/zinc/51/50/22/599515022.db2.gz ZDNYGNQOJJVJSE-UHFFFAOYSA-N -1 3 398.420 0.274 20 0 GCADHM CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735644523 599515024 /nfs/dbraw/zinc/51/50/24/599515024.db2.gz ZDNYGNQOJJVJSE-UHFFFAOYSA-N -1 3 398.420 0.274 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CC1 ZINC000736136610 599515750 /nfs/dbraw/zinc/51/57/50/599515750.db2.gz IBVHTJFNUCKMLW-INIZCTEOSA-N -1 3 396.354 0.684 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CC1 ZINC000736136610 599515752 /nfs/dbraw/zinc/51/57/52/599515752.db2.gz IBVHTJFNUCKMLW-INIZCTEOSA-N -1 3 396.354 0.684 20 0 GCADHM C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820335360 599522003 /nfs/dbraw/zinc/52/20/03/599522003.db2.gz WXASNCYTWDIRPO-LLVKDONJSA-N -1 3 386.437 0.934 20 0 GCADHM C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820335360 599522005 /nfs/dbraw/zinc/52/20/05/599522005.db2.gz WXASNCYTWDIRPO-LLVKDONJSA-N -1 3 386.437 0.934 20 0 GCADHM CN(C)S(=O)(=O)c1cnn(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736771037 599525340 /nfs/dbraw/zinc/52/53/40/599525340.db2.gz WOKMZCSDHAQKRQ-UHFFFAOYSA-N -1 3 390.429 0.342 20 0 GCADHM CN(C)S(=O)(=O)c1cnn(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736771037 599525342 /nfs/dbraw/zinc/52/53/42/599525342.db2.gz WOKMZCSDHAQKRQ-UHFFFAOYSA-N -1 3 390.429 0.342 20 0 GCADHM Cc1cnn([C@@H]2CCCN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)C2)c1 ZINC000822403536 599540028 /nfs/dbraw/zinc/54/00/28/599540028.db2.gz QWBXISFSGSCHII-GFCCVEGCSA-N -1 3 388.457 0.861 20 0 GCADHM 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599592182 /nfs/dbraw/zinc/59/21/82/599592182.db2.gz KOPAPGBTQXCUQQ-UHFFFAOYSA-N -1 3 393.451 0.731 20 0 GCADHM CN(CC(=O)NCc1ccccc1)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736783500 599592184 /nfs/dbraw/zinc/59/21/84/599592184.db2.gz KOPAPGBTQXCUQQ-UHFFFAOYSA-N -1 3 393.451 0.731 20 0 GCADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826148509 607385666 /nfs/dbraw/zinc/38/56/66/607385666.db2.gz KKYRPSZJWFIOGT-SNVBAGLBSA-N -1 3 376.373 0.193 20 0 GCADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826148509 607385668 /nfs/dbraw/zinc/38/56/68/607385668.db2.gz KKYRPSZJWFIOGT-SNVBAGLBSA-N -1 3 376.373 0.193 20 0 GCADHM CCNC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000736575022 599594015 /nfs/dbraw/zinc/59/40/15/599594015.db2.gz XJWWDWJYDGFPAO-UHFFFAOYSA-N -1 3 392.363 0.642 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCCN1 ZINC000738306427 599594313 /nfs/dbraw/zinc/59/43/13/599594313.db2.gz HBXUMLPEDIHKLV-UHFFFAOYSA-N -1 3 390.347 0.396 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/nfs/dbraw/zinc/59/91/18/599599118.db2.gz TUAVUDHPFGZDEH-CQSZACIVSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821883328 599599120 /nfs/dbraw/zinc/59/91/20/599599120.db2.gz TUAVUDHPFGZDEH-CQSZACIVSA-N -1 3 396.407 0.972 20 0 GCADHM CN(C)C(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821575416 599599452 /nfs/dbraw/zinc/59/94/52/599599452.db2.gz AYMVBYYKQWVECM-UHFFFAOYSA-N -1 3 399.333 0.419 20 0 GCADHM CN(C)C(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821575416 599599454 /nfs/dbraw/zinc/59/94/54/599599454.db2.gz AYMVBYYKQWVECM-UHFFFAOYSA-N -1 3 399.333 0.419 20 0 GCADHM CCOC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000821334909 599599474 /nfs/dbraw/zinc/59/94/74/599599474.db2.gz SZNWOYPTUWJKAH-UHFFFAOYSA-N -1 3 387.400 0.414 20 0 GCADHM CCOC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000821334909 599599476 /nfs/dbraw/zinc/59/94/76/599599476.db2.gz SZNWOYPTUWJKAH-UHFFFAOYSA-N -1 3 387.400 0.414 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(C(=O)N(C)C)CC2)c1-c1nnn[n-]1 ZINC000822309044 599599818 /nfs/dbraw/zinc/59/98/18/599599818.db2.gz MFZMLFOCKDAXNM-UHFFFAOYSA-N -1 3 385.428 0.440 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(C(=O)N(C)C)CC2)c1-c1nn[n-]n1 ZINC000822309044 599599820 /nfs/dbraw/zinc/59/98/20/599599820.db2.gz MFZMLFOCKDAXNM-UHFFFAOYSA-N -1 3 385.428 0.440 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)c1-c1nnn[n-]1 ZINC000822312978 599600010 /nfs/dbraw/zinc/60/00/10/599600010.db2.gz KJZZDFQPUSHMLR-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)c1-c1nn[n-]n1 ZINC000822312978 599600011 /nfs/dbraw/zinc/60/00/11/599600011.db2.gz KJZZDFQPUSHMLR-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM CN1CC[C@H](NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1=O ZINC000736854476 599601049 /nfs/dbraw/zinc/60/10/49/599601049.db2.gz FAXQMSHMVVKHOU-ZDUSSCGKSA-N -1 3 375.458 0.630 20 0 GCADHM CN1CC[C@H](NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1=O ZINC000736854476 599601051 /nfs/dbraw/zinc/60/10/51/599601051.db2.gz FAXQMSHMVVKHOU-ZDUSSCGKSA-N -1 3 375.458 0.630 20 0 GCADHM CN1CC[C@H](NC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000736858435 599602649 /nfs/dbraw/zinc/60/26/49/599602649.db2.gz XHXLILWFOCPDMJ-AWEZNQCLSA-N -1 3 384.444 0.319 20 0 GCADHM CN1CC[C@H](NC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000736858435 599602650 /nfs/dbraw/zinc/60/26/50/599602650.db2.gz XHXLILWFOCPDMJ-AWEZNQCLSA-N -1 3 384.444 0.319 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCC1=O ZINC000736846488 599602794 /nfs/dbraw/zinc/60/27/94/599602794.db2.gz QZJXMMVPPLMHFD-INIZCTEOSA-N -1 3 398.471 0.315 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000822319128 599604578 /nfs/dbraw/zinc/60/45/78/599604578.db2.gz JQEYXIWWVGPSDH-CQSZACIVSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000822319128 599604579 /nfs/dbraw/zinc/60/45/79/599604579.db2.gz JQEYXIWWVGPSDH-CQSZACIVSA-N -1 3 380.408 0.833 20 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/nfs/dbraw/zinc/38/61/19/607386119.db2.gz CAGIVXQQZGOGFY-UHFFFAOYSA-N -1 3 384.352 0.951 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822492035 599611973 /nfs/dbraw/zinc/61/19/73/599611973.db2.gz PADPGYTYGWYYRK-JTQLQIEISA-N -1 3 382.428 0.903 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822492035 599611975 /nfs/dbraw/zinc/61/19/75/599611975.db2.gz PADPGYTYGWYYRK-JTQLQIEISA-N -1 3 382.428 0.903 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)CCO2 ZINC000823210582 599612049 /nfs/dbraw/zinc/61/20/49/599612049.db2.gz BPFNFAPASFWIHQ-UHFFFAOYSA-N -1 3 394.391 0.935 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000821692355 599615749 /nfs/dbraw/zinc/61/57/49/599615749.db2.gz VOSWMMIKEOREMS-CYBMUJFWSA-N -1 3 388.428 0.625 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000821692355 599615750 /nfs/dbraw/zinc/61/57/50/599615750.db2.gz VOSWMMIKEOREMS-CYBMUJFWSA-N -1 3 388.428 0.625 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000821692356 599616120 /nfs/dbraw/zinc/61/61/20/599616120.db2.gz VOSWMMIKEOREMS-ZDUSSCGKSA-N -1 3 388.428 0.625 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000821692356 599616121 /nfs/dbraw/zinc/61/61/21/599616121.db2.gz VOSWMMIKEOREMS-ZDUSSCGKSA-N -1 3 388.428 0.625 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000737055872 599616248 /nfs/dbraw/zinc/61/62/48/599616248.db2.gz IVTDDSOSVDHTCK-UHFFFAOYSA-N -1 3 396.411 0.943 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000822215985 599616567 /nfs/dbraw/zinc/61/65/67/599616567.db2.gz AZSLYOZDNUCVIE-CYBMUJFWSA-N -1 3 381.400 0.569 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000822215985 599616568 /nfs/dbraw/zinc/61/65/68/599616568.db2.gz AZSLYOZDNUCVIE-CYBMUJFWSA-N -1 3 381.400 0.569 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000737773830 599618062 /nfs/dbraw/zinc/61/80/62/599618062.db2.gz LGDIWZCCLFAWAF-UHFFFAOYSA-N -1 3 384.335 0.222 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000737773830 599618064 /nfs/dbraw/zinc/61/80/64/599618064.db2.gz LGDIWZCCLFAWAF-UHFFFAOYSA-N -1 3 384.335 0.222 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN(C[C@H](C)O)CC1 ZINC000736147362 599618962 /nfs/dbraw/zinc/61/89/62/599618962.db2.gz NBXMCPQXMYPDQQ-NWDGAFQWSA-N -1 3 393.879 0.846 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000822903982 599622433 /nfs/dbraw/zinc/62/24/33/599622433.db2.gz RFXFXUYLPMSWMW-NEPJUHHUSA-N -1 3 397.395 0.764 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000822903982 599622434 /nfs/dbraw/zinc/62/24/34/599622434.db2.gz RFXFXUYLPMSWMW-NEPJUHHUSA-N -1 3 397.395 0.764 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000822904107 599623302 /nfs/dbraw/zinc/62/33/02/599623302.db2.gz SISZFFZIPDYLKI-SCLBCKFNSA-N -1 3 381.396 0.929 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000822904107 599623303 /nfs/dbraw/zinc/62/33/03/599623303.db2.gz SISZFFZIPDYLKI-SCLBCKFNSA-N -1 3 381.396 0.929 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000822904104 599623456 /nfs/dbraw/zinc/62/34/56/599623456.db2.gz SISZFFZIPDYLKI-FZKQIMNGSA-N -1 3 381.396 0.929 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000822904104 599623457 /nfs/dbraw/zinc/62/34/57/599623457.db2.gz SISZFFZIPDYLKI-FZKQIMNGSA-N -1 3 381.396 0.929 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821442448 599638698 /nfs/dbraw/zinc/63/86/98/599638698.db2.gz SNPCKRLVTSIJAX-LBPRGKRZSA-N -1 3 380.474 0.950 20 0 GCADHM O=C(CN1CCC[C@@H]1CN1CCOCC1)Nc1sccc1-c1nnn[n-]1 ZINC000822997712 599643186 /nfs/dbraw/zinc/64/31/86/599643186.db2.gz VEWNAJMVPMVFSS-GFCCVEGCSA-N -1 3 377.474 0.663 20 0 GCADHM O=C(CN1CCC[C@@H]1CN1CCOCC1)Nc1sccc1-c1nn[n-]n1 ZINC000822997712 599643187 /nfs/dbraw/zinc/64/31/87/599643187.db2.gz VEWNAJMVPMVFSS-GFCCVEGCSA-N -1 3 377.474 0.663 20 0 GCADHM COC(=O)CN(CC(=O)Nc1sccc1-c1nnn[n-]1)C1CCOCC1 ZINC000821662644 599645796 /nfs/dbraw/zinc/64/57/96/599645796.db2.gz LUYALIWSAKFNMB-UHFFFAOYSA-N -1 3 380.430 0.521 20 0 GCADHM COC(=O)CN(CC(=O)Nc1sccc1-c1nn[n-]n1)C1CCOCC1 ZINC000821662644 599645797 /nfs/dbraw/zinc/64/57/97/599645797.db2.gz LUYALIWSAKFNMB-UHFFFAOYSA-N -1 3 380.430 0.521 20 0 GCADHM Cn1ccc(N2CCC[C@H](OC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)n1 ZINC000822688838 599648865 /nfs/dbraw/zinc/64/88/65/599648865.db2.gz ATFQAQFMBHVTQJ-AWEZNQCLSA-N -1 3 397.395 0.718 20 0 GCADHM Cn1ccc(N2CCC[C@H](OC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)n1 ZINC000822688838 599648866 /nfs/dbraw/zinc/64/88/66/599648866.db2.gz ATFQAQFMBHVTQJ-AWEZNQCLSA-N -1 3 397.395 0.718 20 0 GCADHM Cn1ccc(N2CCC[C@@H](OC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)n1 ZINC000822688840 599649029 /nfs/dbraw/zinc/64/90/29/599649029.db2.gz ATFQAQFMBHVTQJ-CQSZACIVSA-N -1 3 397.395 0.718 20 0 GCADHM Cn1ccc(N2CCC[C@@H](OC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)n1 ZINC000822688840 599649030 /nfs/dbraw/zinc/64/90/30/599649030.db2.gz ATFQAQFMBHVTQJ-CQSZACIVSA-N -1 3 397.395 0.718 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000822928557 599652493 /nfs/dbraw/zinc/65/24/93/599652493.db2.gz KAGRJLNQQBQBJD-UBIFPVMHSA-N -1 3 381.396 0.374 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000822928557 599652494 /nfs/dbraw/zinc/65/24/94/599652494.db2.gz KAGRJLNQQBQBJD-UBIFPVMHSA-N -1 3 381.396 0.374 20 0 GCADHM CN1CC[C@@H](C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1=O ZINC000821621788 599653729 /nfs/dbraw/zinc/65/37/29/599653729.db2.gz GKSRGZMKSUZCDW-GFCCVEGCSA-N -1 3 383.368 0.828 20 0 GCADHM CN1CC[C@@H](C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1=O ZINC000821621788 599653730 /nfs/dbraw/zinc/65/37/30/599653730.db2.gz GKSRGZMKSUZCDW-GFCCVEGCSA-N -1 3 383.368 0.828 20 0 GCADHM CN(CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ncccn1 ZINC000821594100 599654303 /nfs/dbraw/zinc/65/43/03/599654303.db2.gz YPCGTYGJIQXPDI-UHFFFAOYSA-N -1 3 393.367 0.886 20 0 GCADHM CN(CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)c1ncccn1 ZINC000821594100 599654304 /nfs/dbraw/zinc/65/43/04/599654304.db2.gz YPCGTYGJIQXPDI-UHFFFAOYSA-N -1 3 393.367 0.886 20 0 GCADHM C[C@@H](C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)N1C(=O)CCC1=O ZINC000819884674 599656523 /nfs/dbraw/zinc/65/65/23/599656523.db2.gz YOCHICXDCVXUQT-VIFPVBQESA-N -1 3 397.351 0.497 20 0 GCADHM C[C@@H](C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)N1C(=O)CCC1=O ZINC000819884674 599656524 /nfs/dbraw/zinc/65/65/24/599656524.db2.gz YOCHICXDCVXUQT-VIFPVBQESA-N -1 3 397.351 0.497 20 0 GCADHM CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000821633830 599660016 /nfs/dbraw/zinc/66/00/16/599660016.db2.gz GAGCMJVNBBOCLT-GWCFXTLKSA-N -1 3 387.400 0.223 20 0 GCADHM NS(=O)(=O)CCCOC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000822895880 599660237 /nfs/dbraw/zinc/66/02/37/599660237.db2.gz ZQBTZWKGYRFJAJ-ZDUSSCGKSA-N -1 3 380.430 0.057 20 0 GCADHM C[C@](O)(Cc1ccccc1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820467157 599662811 /nfs/dbraw/zinc/66/28/11/599662811.db2.gz BCCHMPIDEAOTIO-BEFAXECRSA-N -1 3 381.392 0.930 20 0 GCADHM C[C@](O)(Cc1ccccc1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820467157 599662812 /nfs/dbraw/zinc/66/28/12/599662812.db2.gz BCCHMPIDEAOTIO-BEFAXECRSA-N -1 3 381.392 0.930 20 0 GCADHM Cn1ccnc(N2CCN(C(=S)Nc3ccccc3-c3nnn[n-]3)CC2)c1=O ZINC000822694029 599664189 /nfs/dbraw/zinc/66/41/89/599664189.db2.gz RXEKJZFVHKLPQH-UHFFFAOYSA-N -1 3 397.468 0.479 20 0 GCADHM Cn1ccnc(N2CCN(C(=S)Nc3ccccc3-c3nn[n-]n3)CC2)c1=O ZINC000822694029 599664190 /nfs/dbraw/zinc/66/41/90/599664190.db2.gz RXEKJZFVHKLPQH-UHFFFAOYSA-N -1 3 397.468 0.479 20 0 GCADHM COC[C@@](C)(O)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000821681481 599666220 /nfs/dbraw/zinc/66/62/20/599666220.db2.gz LSMRFONYGYAOSM-ZKANADHPSA-N -1 3 395.441 0.685 20 0 GCADHM COC[C@@](C)(O)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000821681481 599666221 /nfs/dbraw/zinc/66/62/21/599666221.db2.gz LSMRFONYGYAOSM-ZKANADHPSA-N -1 3 395.441 0.685 20 0 GCADHM CNC(=O)c1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821634941 599666972 /nfs/dbraw/zinc/66/69/72/599666972.db2.gz CAYMNJXOLQOVEM-CQSZACIVSA-N -1 3 380.364 0.610 20 0 GCADHM CNC(=O)c1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821634941 599666973 /nfs/dbraw/zinc/66/69/73/599666973.db2.gz CAYMNJXOLQOVEM-CQSZACIVSA-N -1 3 380.364 0.610 20 0 GCADHM CC[C@@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)N1CCCC1=O ZINC000820848423 599671376 /nfs/dbraw/zinc/67/13/76/599671376.db2.gz XRRDZXRYZCWRLT-NSHDSACASA-N -1 3 390.400 0.959 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@H]1O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823176473 599674252 /nfs/dbraw/zinc/67/42/52/599674252.db2.gz UBLRXJAIPWUPFZ-WFASDCNBSA-N -1 3 386.460 0.691 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@H]1O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823176473 599674253 /nfs/dbraw/zinc/67/42/53/599674253.db2.gz UBLRXJAIPWUPFZ-WFASDCNBSA-N -1 3 386.460 0.691 20 0 GCADHM C[C@H](O)CC(C)(C)CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000820473792 599676056 /nfs/dbraw/zinc/67/60/56/599676056.db2.gz LWBWODFNJIGBNK-ZDUSSCGKSA-N -1 3 388.476 0.890 20 0 GCADHM C[C@H](O)CC(C)(C)CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000820473792 599676057 /nfs/dbraw/zinc/67/60/57/599676057.db2.gz LWBWODFNJIGBNK-ZDUSSCGKSA-N -1 3 388.476 0.890 20 0 GCADHM C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820473873 599676308 /nfs/dbraw/zinc/67/63/08/599676308.db2.gz NBWWJOUWELQMFQ-CYBMUJFWSA-N -1 3 388.476 0.890 20 0 GCADHM C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820473873 599676309 /nfs/dbraw/zinc/67/63/09/599676309.db2.gz NBWWJOUWELQMFQ-CYBMUJFWSA-N -1 3 388.476 0.890 20 0 GCADHM CN(C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821571941 599677168 /nfs/dbraw/zinc/67/71/68/599677168.db2.gz LWJLNEAWFSKJPE-GFCCVEGCSA-N -1 3 380.430 0.074 20 0 GCADHM CCC(=O)N1CCCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820836871 599677928 /nfs/dbraw/zinc/67/79/28/599677928.db2.gz DCZVXHBTIRZYLP-UHFFFAOYSA-N -1 3 387.444 0.899 20 0 GCADHM CCc1nnc2n1CCN(C(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000821554689 599678067 /nfs/dbraw/zinc/67/80/67/599678067.db2.gz QNHPMSUWVDPTTO-UHFFFAOYSA-N -1 3 383.416 0.625 20 0 GCADHM C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820349842 599680963 /nfs/dbraw/zinc/68/09/63/599680963.db2.gz IZYOQSXADZKNJT-XJKSGUPXSA-N -1 3 399.455 0.961 20 0 GCADHM C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820349842 599680964 /nfs/dbraw/zinc/68/09/64/599680964.db2.gz IZYOQSXADZKNJT-XJKSGUPXSA-N -1 3 399.455 0.961 20 0 GCADHM C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352103 599681430 /nfs/dbraw/zinc/68/14/30/599681430.db2.gz SBTGSHCSPKBIAJ-CYBMUJFWSA-N -1 3 398.471 0.534 20 0 GCADHM C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352103 599681431 /nfs/dbraw/zinc/68/14/31/599681431.db2.gz SBTGSHCSPKBIAJ-CYBMUJFWSA-N -1 3 398.471 0.534 20 0 GCADHM C[C@H]1CN=C(N2CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CC2)S1 ZINC000820804650 599683029 /nfs/dbraw/zinc/68/30/29/599683029.db2.gz WSWPWJDHMQEPLE-NSHDSACASA-N -1 3 393.498 0.664 20 0 GCADHM C[C@H]1CN=C(N2CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CC2)S1 ZINC000820804650 599683030 /nfs/dbraw/zinc/68/30/30/599683030.db2.gz WSWPWJDHMQEPLE-NSHDSACASA-N -1 3 393.498 0.664 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822894555 599685882 /nfs/dbraw/zinc/68/58/82/599685882.db2.gz AWVOJXDRIVNZFA-NSHDSACASA-N -1 3 378.336 0.018 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@](O)(C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822894555 599685883 /nfs/dbraw/zinc/68/58/83/599685883.db2.gz AWVOJXDRIVNZFA-NSHDSACASA-N -1 3 378.336 0.018 20 0 GCADHM C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@@H](C(F)(F)F)O1 ZINC000820774369 599687956 /nfs/dbraw/zinc/68/79/56/599687956.db2.gz BMIWOXDHGAQSKU-CPCISQLKSA-N -1 3 392.363 0.670 20 0 GCADHM C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@@H](C(F)(F)F)O1 ZINC000820774369 599687957 /nfs/dbraw/zinc/68/79/57/599687957.db2.gz BMIWOXDHGAQSKU-CPCISQLKSA-N -1 3 392.363 0.670 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CC(=O)Nc1cc(C)on1 ZINC000821650396 599690793 /nfs/dbraw/zinc/69/07/93/599690793.db2.gz QXZZSGFQOKBFIQ-HNNXBMFYSA-N -1 3 385.384 0.948 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CC(=O)Nc1cc(C)on1 ZINC000821650396 599690794 /nfs/dbraw/zinc/69/07/94/599690794.db2.gz QXZZSGFQOKBFIQ-HNNXBMFYSA-N -1 3 385.384 0.948 20 0 GCADHM Cc1nnc(CN(C)CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1C ZINC000822511027 599691320 /nfs/dbraw/zinc/69/13/20/599691320.db2.gz ZMOCGURDTNDVEO-UHFFFAOYSA-N -1 3 395.471 0.927 20 0 GCADHM Cc1nnc(CN(C)CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1C ZINC000822511027 599691321 /nfs/dbraw/zinc/69/13/21/599691321.db2.gz ZMOCGURDTNDVEO-UHFFFAOYSA-N -1 3 395.471 0.927 20 0 GCADHM Cc1ncccc1NC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822472119 599693914 /nfs/dbraw/zinc/69/39/14/599693914.db2.gz OPPGXRFOKDFAOY-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1ncccc1NC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822472119 599693915 /nfs/dbraw/zinc/69/39/15/599693915.db2.gz OPPGXRFOKDFAOY-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)Nc1cnn(CC(F)F)c1 ZINC000823205930 599693924 /nfs/dbraw/zinc/69/39/24/599693924.db2.gz CHFINQWVKKJFDG-UHFFFAOYSA-N -1 3 378.347 0.957 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)Nc1cnn(CC(F)F)c1 ZINC000823205930 599693925 /nfs/dbraw/zinc/69/39/25/599693925.db2.gz CHFINQWVKKJFDG-UHFFFAOYSA-N -1 3 378.347 0.957 20 0 GCADHM CC(C)OCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000820146371 599694458 /nfs/dbraw/zinc/69/44/58/599694458.db2.gz MMZGORSRAPUICO-UHFFFAOYSA-N -1 3 398.464 0.737 20 0 GCADHM CC(C)OCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000820146371 599694459 /nfs/dbraw/zinc/69/44/59/599694459.db2.gz MMZGORSRAPUICO-UHFFFAOYSA-N -1 3 398.464 0.737 20 0 GCADHM O=C(Cc1ccon1)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823309275 599699518 /nfs/dbraw/zinc/69/95/18/599699518.db2.gz VVFONEYBCBIXPP-CYBMUJFWSA-N -1 3 385.409 0.937 20 0 GCADHM O=C(Cc1ccon1)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823309275 599699519 /nfs/dbraw/zinc/69/95/19/599699519.db2.gz VVFONEYBCBIXPP-CYBMUJFWSA-N -1 3 385.409 0.937 20 0 GCADHM CCN1CCO[C@H](C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821277199 599699896 /nfs/dbraw/zinc/69/98/96/599699896.db2.gz RNHCEZVJAZSUHR-HNNXBMFYSA-N -1 3 386.460 0.067 20 0 GCADHM CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000737116598 599722195 /nfs/dbraw/zinc/72/21/95/599722195.db2.gz YBBVIDVZDQTUMQ-LBPRGKRZSA-N -1 3 395.435 0.996 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GCADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000826253940 607405381 /nfs/dbraw/zinc/40/53/81/607405381.db2.gz LSMXXMPHGFWYHA-UHFFFAOYSA-N -1 3 380.368 0.362 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000826253940 607405382 /nfs/dbraw/zinc/40/53/82/607405382.db2.gz LSMXXMPHGFWYHA-UHFFFAOYSA-N -1 3 380.368 0.362 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC000823988268 607405639 /nfs/dbraw/zinc/40/56/39/607405639.db2.gz FTZRRGOEFHPRBE-OAHLLOKOSA-N -1 3 386.412 0.345 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC000823988268 607405641 /nfs/dbraw/zinc/40/56/41/607405641.db2.gz FTZRRGOEFHPRBE-OAHLLOKOSA-N -1 3 386.412 0.345 20 0 GCADHM NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000739159645 599942931 /nfs/dbraw/zinc/94/29/31/599942931.db2.gz JZLCZPVMXHXKHZ-INIZCTEOSA-N -1 3 375.425 0.704 20 0 GCADHM CN1CCN(C[C@H]2CN(C[C@H](O)COc3ccc(C(=O)[O-])cc3)CCO2)CC1 ZINC000737525931 599970597 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COc1ccc(CNC(=S)NCCCN2CCOCC2)cc1-c1nnn[n-]1 ZINC000826201981 607529825 /nfs/dbraw/zinc/52/98/25/607529825.db2.gz KGOLSHODPLHCDS-UHFFFAOYSA-N -1 3 391.501 0.562 20 0 GCADHM CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000829776715 601852688 /nfs/dbraw/zinc/85/26/88/601852688.db2.gz UTKZMSDKTIBKBX-ZDUSSCGKSA-N -1 3 394.447 0.852 20 0 GCADHM COc1ccc(CNC(=S)NCCCN2CCOCC2)cc1-c1nn[n-]n1 ZINC000826201981 607529826 /nfs/dbraw/zinc/52/98/26/607529826.db2.gz KGOLSHODPLHCDS-UHFFFAOYSA-N -1 3 391.501 0.562 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)CONC(=N)COc2cccc(C(=O)[O-])c2)C1 ZINC000825870841 601902361 /nfs/dbraw/zinc/90/23/61/601902361.db2.gz GLAKQUYFIBBDIQ-AWEZNQCLSA-N -1 3 392.412 0.389 20 0 GCADHM O=S(=O)(Cc1nccs1)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826487055 607537817 /nfs/dbraw/zinc/53/78/17/607537817.db2.gz BRONEFRZOMRUKR-LLVKDONJSA-N -1 3 381.439 0.678 20 0 GCADHM COc1ccc(Cn2nnc(-c3ccc(C(N)=O)cc3)n2)cc1-c1nnn[n-]1 ZINC000826209193 607542675 /nfs/dbraw/zinc/54/26/75/607542675.db2.gz QEURVGSZPVIAAT-UHFFFAOYSA-N -1 3 377.368 0.676 20 0 GCADHM COc1ccc(Cn2nnc(-c3ccc(C(N)=O)cc3)n2)cc1-c1nn[n-]n1 ZINC000826209193 607542676 /nfs/dbraw/zinc/54/26/76/607542676.db2.gz QEURVGSZPVIAAT-UHFFFAOYSA-N -1 3 377.368 0.676 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)c1-c1nnn[n-]1 ZINC000826300791 607545525 /nfs/dbraw/zinc/54/55/25/607545525.db2.gz GONCEIVHNWJKSN-UHFFFAOYSA-N -1 3 390.425 0.705 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)CC(=O)NCc2ccco2)c1-c1nn[n-]n1 ZINC000826300791 607545526 /nfs/dbraw/zinc/54/55/26/607545526.db2.gz GONCEIVHNWJKSN-UHFFFAOYSA-N -1 3 390.425 0.705 20 0 GCADHM Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826302074 607545887 /nfs/dbraw/zinc/54/58/87/607545887.db2.gz ZKLNQPFKSXJFDQ-AWEZNQCLSA-N -1 3 398.448 0.776 20 0 GCADHM Cc1cccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826302074 607545889 /nfs/dbraw/zinc/54/58/89/607545889.db2.gz ZKLNQPFKSXJFDQ-AWEZNQCLSA-N -1 3 398.448 0.776 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](CCC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826301489 607547308 /nfs/dbraw/zinc/54/73/08/607547308.db2.gz GMRSVUDZWYGUJS-GFCCVEGCSA-N -1 3 378.458 0.841 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](CCC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826301489 607547310 /nfs/dbraw/zinc/54/73/10/607547310.db2.gz GMRSVUDZWYGUJS-GFCCVEGCSA-N -1 3 378.458 0.841 20 0 GCADHM COC[C@@](C)(CC(=O)[O-])NCC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000831578758 602206373 /nfs/dbraw/zinc/20/63/73/602206373.db2.gz QFCFBPDNODANLD-MRXNPFEDSA-N -1 3 380.380 0.518 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000830935104 602221630 /nfs/dbraw/zinc/22/16/30/602221630.db2.gz PENIJCNUSNCNCK-HNNXBMFYSA-N -1 3 381.454 0.312 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC000830934871 602221702 /nfs/dbraw/zinc/22/17/02/602221702.db2.gz LYUCMHAUMQLMOS-CQSZACIVSA-N -1 3 381.454 0.312 20 0 GCADHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000832919294 602222527 /nfs/dbraw/zinc/22/25/27/602222527.db2.gz CCTDZTFPDCTFLJ-OAHLLOKOSA-N -1 3 395.481 0.620 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000826084388 607554977 /nfs/dbraw/zinc/55/49/77/607554977.db2.gz ZKZVWVRUEQRJOC-JTQLQIEISA-N -1 3 399.864 0.082 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000826084388 607554979 /nfs/dbraw/zinc/55/49/79/607554979.db2.gz ZKZVWVRUEQRJOC-JTQLQIEISA-N -1 3 399.864 0.082 20 0 GCADHM COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826149693 607555250 /nfs/dbraw/zinc/55/52/50/607555250.db2.gz MXIQWROIUFBOKI-YGRLFVJLSA-N -1 3 394.457 0.075 20 0 GCADHM COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826149693 607555251 /nfs/dbraw/zinc/55/52/51/607555251.db2.gz MXIQWROIUFBOKI-YGRLFVJLSA-N -1 3 394.457 0.075 20 0 GCADHM CN(C)CCN1C[C@H](C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)CC1=O ZINC000830608776 602256711 /nfs/dbraw/zinc/25/67/11/602256711.db2.gz IDLITCKJZMRKNJ-GFCCVEGCSA-N -1 3 397.453 0.137 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC000825604272 607551510 /nfs/dbraw/zinc/55/15/10/607551510.db2.gz GZEHCPFGUWNNQK-ZDUSSCGKSA-N -1 3 381.458 0.991 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC000825604272 607551511 /nfs/dbraw/zinc/55/15/11/607551511.db2.gz GZEHCPFGUWNNQK-ZDUSSCGKSA-N -1 3 381.458 0.991 20 0 GCADHM Cc1ccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(N(C)C)n1 ZINC000826290709 607557038 /nfs/dbraw/zinc/55/70/38/607557038.db2.gz WOVLTNDKBAFMIH-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(N(C)C)n1 ZINC000826290709 607557040 /nfs/dbraw/zinc/55/70/40/607557040.db2.gz WOVLTNDKBAFMIH-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM COc1ccc(CNC(=O)NCCNC(=O)c2ccco2)cc1-c1nnn[n-]1 ZINC000826199606 607557866 /nfs/dbraw/zinc/55/78/66/607557866.db2.gz FIFKXIYKVJRWNM-UHFFFAOYSA-N -1 3 385.384 0.698 20 0 GCADHM COc1ccc(CNC(=O)NCCNC(=O)c2ccco2)cc1-c1nn[n-]n1 ZINC000826199606 607557867 /nfs/dbraw/zinc/55/78/67/607557867.db2.gz FIFKXIYKVJRWNM-UHFFFAOYSA-N -1 3 385.384 0.698 20 0 GCADHM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)C1CCN(S(C)(=O)=O)CC1 ZINC000830669904 602346586 /nfs/dbraw/zinc/34/65/86/602346586.db2.gz RGYJCSMNQGSPAN-UHFFFAOYSA-N -1 3 375.491 0.246 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1-c1nnn[n-]1 ZINC000826199334 607565093 /nfs/dbraw/zinc/56/50/93/607565093.db2.gz WHSFGDFZSKLAON-JTQLQIEISA-N -1 3 383.416 0.973 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1-c1nn[n-]n1 ZINC000826199334 607565094 /nfs/dbraw/zinc/56/50/94/607565094.db2.gz WHSFGDFZSKLAON-JTQLQIEISA-N -1 3 383.416 0.973 20 0 GCADHM COc1ccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826199921 607566861 /nfs/dbraw/zinc/56/68/61/607566861.db2.gz RKGVUFVZFRCPDN-UHFFFAOYSA-N -1 3 396.473 0.888 20 0 GCADHM COc1ccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826199921 607566862 /nfs/dbraw/zinc/56/68/62/607566862.db2.gz RKGVUFVZFRCPDN-UHFFFAOYSA-N -1 3 396.473 0.888 20 0 GCADHM COc1ccc(CNC(=O)NCCN2CCOCC2(C)C)cc1-c1nnn[n-]1 ZINC000826199764 607566925 /nfs/dbraw/zinc/56/69/25/607566925.db2.gz LAAWKGMPVWAQBZ-UHFFFAOYSA-N -1 3 389.460 0.785 20 0 GCADHM COc1ccc(CNC(=O)NCCN2CCOCC2(C)C)cc1-c1nn[n-]n1 ZINC000826199764 607566926 /nfs/dbraw/zinc/56/69/26/607566926.db2.gz LAAWKGMPVWAQBZ-UHFFFAOYSA-N -1 3 389.460 0.785 20 0 GCADHM COc1ccc(CNC(=O)NCCN2CCSCC2)cc1-c1nnn[n-]1 ZINC000826199653 607567581 /nfs/dbraw/zinc/56/75/81/607567581.db2.gz HOQULYCGUMOSOU-UHFFFAOYSA-N -1 3 377.474 0.723 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)CCS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826198746 607568857 /nfs/dbraw/zinc/56/88/57/607568857.db2.gz HLKDYYKTRPNVOD-SNVBAGLBSA-N -1 3 382.446 0.498 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)CCS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826198746 607568858 /nfs/dbraw/zinc/56/88/58/607568858.db2.gz HLKDYYKTRPNVOD-SNVBAGLBSA-N -1 3 382.446 0.498 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399308 607569615 /nfs/dbraw/zinc/56/96/15/607569615.db2.gz SEANNLRVRQNZHJ-KRWDZBQOSA-N -1 3 392.467 0.970 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)OCC(=O)NCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826337502 607565943 /nfs/dbraw/zinc/56/59/43/607565943.db2.gz QRMQYTFINJEJAR-CQSZACIVSA-N -1 3 396.411 0.189 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)OCC(=O)NCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826337502 607565944 /nfs/dbraw/zinc/56/59/44/607565944.db2.gz QRMQYTFINJEJAR-CQSZACIVSA-N -1 3 396.411 0.189 20 0 GCADHM CCN(CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1)C1CC1 ZINC000825395440 607570151 /nfs/dbraw/zinc/57/01/51/607570151.db2.gz PHHWVUFXKNKZFX-UHFFFAOYSA-N -1 3 386.460 0.865 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@H]1CCCn2ccnc21 ZINC000826437851 607571690 /nfs/dbraw/zinc/57/16/90/607571690.db2.gz DHNDCVJTMAYEDM-GFCCVEGCSA-N -1 3 382.432 0.747 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@H]1CCCn2ccnc21 ZINC000826437851 607571692 /nfs/dbraw/zinc/57/16/92/607571692.db2.gz DHNDCVJTMAYEDM-GFCCVEGCSA-N -1 3 382.432 0.747 20 0 GCADHM COc1ccc(CNC(=O)N2CCC(S(C)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000826197742 607572283 /nfs/dbraw/zinc/57/22/83/607572283.db2.gz BMEYEERGVQUDJC-UHFFFAOYSA-N -1 3 394.457 0.594 20 0 GCADHM COc1ccc(CNC(=O)N2CCC(S(C)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000826197742 607572284 /nfs/dbraw/zinc/57/22/84/607572284.db2.gz BMEYEERGVQUDJC-UHFFFAOYSA-N -1 3 394.457 0.594 20 0 GCADHM COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000826198380 607576709 /nfs/dbraw/zinc/57/67/09/607576709.db2.gz WOOPFWZUOYYHTH-SNVBAGLBSA-N -1 3 380.430 0.204 20 0 GCADHM COc1ccc(CNC(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000826198380 607576710 /nfs/dbraw/zinc/57/67/10/607576710.db2.gz WOOPFWZUOYYHTH-SNVBAGLBSA-N -1 3 380.430 0.204 20 0 GCADHM O=C(NOCc1cccnc1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826450057 607577285 /nfs/dbraw/zinc/57/72/85/607577285.db2.gz VLCDYKCHTXKDEV-UHFFFAOYSA-N -1 3 381.400 0.620 20 0 GCADHM O=C(NOCc1cccnc1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826450057 607577288 /nfs/dbraw/zinc/57/72/88/607577288.db2.gz VLCDYKCHTXKDEV-UHFFFAOYSA-N -1 3 381.400 0.620 20 0 GCADHM CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825517360 607578635 /nfs/dbraw/zinc/57/86/35/607578635.db2.gz AIUDXSDGKMYYLL-UHFFFAOYSA-N -1 3 398.420 0.905 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825471133 607579588 /nfs/dbraw/zinc/57/95/88/607579588.db2.gz NPCBQHADLIKDNG-UHFFFAOYSA-N -1 3 383.409 0.042 20 0 GCADHM C[C@@H]1CN(CCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824984395 607581396 /nfs/dbraw/zinc/58/13/96/607581396.db2.gz JKYMADVJIFHSNG-TXEJJXNPSA-N -1 3 398.464 0.783 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826428800 607584102 /nfs/dbraw/zinc/58/41/02/607584102.db2.gz LRTFEHPBWSMHPW-GFCCVEGCSA-N -1 3 380.405 0.438 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826300896 607584184 /nfs/dbraw/zinc/58/41/84/607584184.db2.gz KPYROZOJAKKTBG-LBPRGKRZSA-N -1 3 397.482 0.515 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826300896 607584185 /nfs/dbraw/zinc/58/41/85/607584185.db2.gz KPYROZOJAKKTBG-LBPRGKRZSA-N -1 3 397.482 0.515 20 0 GCADHM O=S(=O)(NCc1cccnc1-n1ccnc1)c1ccccc1-c1nnn[n-]1 ZINC000826491768 607584423 /nfs/dbraw/zinc/58/44/23/607584423.db2.gz ACNBNDYHEVCJBN-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM O=S(=O)(NCc1cccnc1-n1ccnc1)c1ccccc1-c1nn[n-]n1 ZINC000826491768 607584425 /nfs/dbraw/zinc/58/44/25/607584425.db2.gz ACNBNDYHEVCJBN-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM COc1ccc(CNC(=O)c2cn(Cc3ccccn3)nn2)cc1-c1nnn[n-]1 ZINC000826201190 607584947 /nfs/dbraw/zinc/58/49/47/607584947.db2.gz CYLKQFRLJHRKIT-UHFFFAOYSA-N -1 3 391.395 0.840 20 0 GCADHM COc1ccc(CNC(=O)c2cn(Cc3ccccn3)nn2)cc1-c1nn[n-]n1 ZINC000826201190 607584948 /nfs/dbraw/zinc/58/49/48/607584948.db2.gz CYLKQFRLJHRKIT-UHFFFAOYSA-N -1 3 391.395 0.840 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1-c1nnn[n-]1 ZINC000826196948 607586260 /nfs/dbraw/zinc/58/62/60/607586260.db2.gz TVMUJALTWCLITH-SFHVURJKSA-N -1 3 399.411 0.212 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1-c1nn[n-]n1 ZINC000826196948 607586262 /nfs/dbraw/zinc/58/62/62/607586262.db2.gz TVMUJALTWCLITH-SFHVURJKSA-N -1 3 399.411 0.212 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)NCc1ccccc1 ZINC000826413089 607587646 /nfs/dbraw/zinc/58/76/46/607587646.db2.gz QLXFLOULVRDCMO-UHFFFAOYSA-N -1 3 390.400 0.601 20 0 GCADHM C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824420499 607588343 /nfs/dbraw/zinc/58/83/43/607588343.db2.gz LOHXTOYGUNWGHD-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824420499 607588344 /nfs/dbraw/zinc/58/83/44/607588344.db2.gz LOHXTOYGUNWGHD-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM CCN(CC)C(=O)CCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825405477 607588897 /nfs/dbraw/zinc/58/88/97/607588897.db2.gz BNFYCAIXPQYVDY-UHFFFAOYSA-N -1 3 384.437 0.933 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1cccnc1 ZINC000826437704 607589863 /nfs/dbraw/zinc/58/98/63/607589863.db2.gz XWMQDXDFVSDVDS-UHFFFAOYSA-N -1 3 391.388 0.109 20 0 GCADHM COCCn1cc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)ccc1=O ZINC000826164075 607590495 /nfs/dbraw/zinc/59/04/95/607590495.db2.gz YEZPHWLWNHVQON-UHFFFAOYSA-N -1 3 384.396 0.613 20 0 GCADHM COCCn1cc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)ccc1=O ZINC000826164075 607590498 /nfs/dbraw/zinc/59/04/98/607590498.db2.gz YEZPHWLWNHVQON-UHFFFAOYSA-N -1 3 384.396 0.613 20 0 GCADHM COc1ccc(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826197350 607591274 /nfs/dbraw/zinc/59/12/74/607591274.db2.gz LVQADRQSOYJGJZ-NSHDSACASA-N -1 3 397.482 0.412 20 0 GCADHM COc1ccc(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826197350 607591275 /nfs/dbraw/zinc/59/12/75/607591275.db2.gz LVQADRQSOYJGJZ-NSHDSACASA-N -1 3 397.482 0.412 20 0 GCADHM COc1ccc(CNC(=O)c2ccccc2OCC(N)=O)cc1-c1nnn[n-]1 ZINC000826201505 607592618 /nfs/dbraw/zinc/59/26/18/607592618.db2.gz SVHQYELFMSMJJS-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM COc1ccc(CNC(=O)c2ccccc2OCC(N)=O)cc1-c1nn[n-]n1 ZINC000826201505 607592620 /nfs/dbraw/zinc/59/26/20/607592620.db2.gz SVHQYELFMSMJJS-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1-c1nnn[n-]1 ZINC000826302408 607599351 /nfs/dbraw/zinc/59/93/51/607599351.db2.gz ISOSGLRCKDTDNU-ZDUSSCGKSA-N -1 3 386.437 0.550 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1-c1nn[n-]n1 ZINC000826302408 607599352 /nfs/dbraw/zinc/59/93/52/607599352.db2.gz ISOSGLRCKDTDNU-ZDUSSCGKSA-N -1 3 386.437 0.550 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C)CCOCC1 ZINC000824641608 607775667 /nfs/dbraw/zinc/77/56/67/607775667.db2.gz XKMLWTUCEWPZSM-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C)CCOCC1 ZINC000824641608 607775668 /nfs/dbraw/zinc/77/56/68/607775668.db2.gz XKMLWTUCEWPZSM-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)NCc1ccco1 ZINC000824650874 607600635 /nfs/dbraw/zinc/60/06/35/607600635.db2.gz VJKOXUCECYGXHF-SNVBAGLBSA-N -1 3 376.398 0.443 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)NCc1ccco1 ZINC000824650874 607600636 /nfs/dbraw/zinc/60/06/36/607600636.db2.gz VJKOXUCECYGXHF-SNVBAGLBSA-N -1 3 376.398 0.443 20 0 GCADHM COc1ccc(COC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826205263 607602077 /nfs/dbraw/zinc/60/20/77/607602077.db2.gz QJRXSWOBTUPPOS-CYBMUJFWSA-N -1 3 395.441 0.733 20 0 GCADHM COc1ccc(COC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826205263 607602078 /nfs/dbraw/zinc/60/20/78/607602078.db2.gz QJRXSWOBTUPPOS-CYBMUJFWSA-N -1 3 395.441 0.733 20 0 GCADHM O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826482366 607602330 /nfs/dbraw/zinc/60/23/30/607602330.db2.gz BUPAFQAZCZRIMS-VIFPVBQESA-N -1 3 390.347 0.442 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CCC1CC1 ZINC000824641385 607603281 /nfs/dbraw/zinc/60/32/81/607603281.db2.gz VGNZIAVADLJKRB-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CCC1CC1 ZINC000824641385 607603282 /nfs/dbraw/zinc/60/32/82/607603282.db2.gz VGNZIAVADLJKRB-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)c1-c1nnn[n-]1 ZINC000826302041 607605541 /nfs/dbraw/zinc/60/55/41/607605541.db2.gz YSQRCPZTPACBOU-GFCCVEGCSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)c1-c1nn[n-]n1 ZINC000826302041 607605542 /nfs/dbraw/zinc/60/55/42/607605542.db2.gz YSQRCPZTPACBOU-GFCCVEGCSA-N -1 3 379.442 0.949 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1)C(C)C ZINC000826147998 607608138 /nfs/dbraw/zinc/60/81/38/607608138.db2.gz UPVJDYNGBMPBGM-HNNXBMFYSA-N -1 3 377.401 0.706 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1)C(C)C ZINC000826147998 607608140 /nfs/dbraw/zinc/60/81/40/607608140.db2.gz UPVJDYNGBMPBGM-HNNXBMFYSA-N -1 3 377.401 0.706 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCN(C)CC(F)(F)F)c1-c1nnn[n-]1 ZINC000826303529 607613670 /nfs/dbraw/zinc/61/36/70/607613670.db2.gz TYUDVWIYKHPULQ-UHFFFAOYSA-N -1 3 378.380 0.948 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCN(C)CC(F)(F)F)c1-c1nn[n-]n1 ZINC000826303529 607613671 /nfs/dbraw/zinc/61/36/71/607613671.db2.gz TYUDVWIYKHPULQ-UHFFFAOYSA-N -1 3 378.380 0.948 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000826496011 607614295 /nfs/dbraw/zinc/61/42/95/607614295.db2.gz IOCXDKYJKJUICP-GFCCVEGCSA-N -1 3 375.414 0.153 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000826496011 607614296 /nfs/dbraw/zinc/61/42/96/607614296.db2.gz IOCXDKYJKJUICP-GFCCVEGCSA-N -1 3 375.414 0.153 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824104192 607616288 /nfs/dbraw/zinc/61/62/88/607616288.db2.gz OXXVFRGMOCQBGA-UHFFFAOYSA-N -1 3 398.420 0.903 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000825838582 607616923 /nfs/dbraw/zinc/61/69/23/607616923.db2.gz AGRVLEXVKSOOIL-CMPLNLGQSA-N -1 3 396.448 0.931 20 0 GCADHM NC(=O)C1(CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCCC1 ZINC000826388574 607617518 /nfs/dbraw/zinc/61/75/18/607617518.db2.gz DMJCROOSVBOXDB-UHFFFAOYSA-N -1 3 384.849 0.844 20 0 GCADHM NC(=O)C1(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCCC1 ZINC000826388574 607617520 /nfs/dbraw/zinc/61/75/20/607617520.db2.gz DMJCROOSVBOXDB-UHFFFAOYSA-N -1 3 384.849 0.844 20 0 GCADHM C[S@](=O)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826224449 607618624 /nfs/dbraw/zinc/61/86/24/607618624.db2.gz DTCBHTQLJAJZBX-DEOSSOPVSA-N -1 3 397.404 0.932 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@@H]1CC ZINC000825599748 607618660 /nfs/dbraw/zinc/61/86/60/607618660.db2.gz QYFAXKOBHUAQOS-AWEZNQCLSA-N -1 3 394.501 0.988 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@@H]1CC ZINC000825599748 607618663 /nfs/dbraw/zinc/61/86/63/607618663.db2.gz QYFAXKOBHUAQOS-AWEZNQCLSA-N -1 3 394.501 0.988 20 0 GCADHM CCc1ncc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000825750221 607619903 /nfs/dbraw/zinc/61/99/03/607619903.db2.gz MSSUOOAVCBDWEI-UHFFFAOYSA-N -1 3 380.416 0.968 20 0 GCADHM CCc1ncc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000825750221 607619905 /nfs/dbraw/zinc/61/99/05/607619905.db2.gz MSSUOOAVCBDWEI-UHFFFAOYSA-N -1 3 380.416 0.968 20 0 GCADHM C[C@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)[C@@H](O)Cc1ccccc1 ZINC000824497942 607620974 /nfs/dbraw/zinc/62/09/74/607620974.db2.gz ANASRRRHVFQHEY-BBRMVZONSA-N -1 3 396.455 0.965 20 0 GCADHM C[C@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)[C@@H](O)Cc1ccccc1 ZINC000824497942 607620976 /nfs/dbraw/zinc/62/09/76/607620976.db2.gz ANASRRRHVFQHEY-BBRMVZONSA-N -1 3 396.455 0.965 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)[C@@H](O)Cc1ccccc1 ZINC000824497943 607621146 /nfs/dbraw/zinc/62/11/46/607621146.db2.gz ANASRRRHVFQHEY-CJNGLKHVSA-N -1 3 396.455 0.965 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)[C@@H](O)Cc1ccccc1 ZINC000824497943 607621147 /nfs/dbraw/zinc/62/11/47/607621147.db2.gz ANASRRRHVFQHEY-CJNGLKHVSA-N -1 3 396.455 0.965 20 0 GCADHM CN1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1=O ZINC000826029819 607621225 /nfs/dbraw/zinc/62/12/25/607621225.db2.gz XPAXVTPDSAPFLT-SECBINFHSA-N -1 3 390.347 0.395 20 0 GCADHM O=S(=O)(NCCOCCO)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826491381 607622424 /nfs/dbraw/zinc/62/24/24/607622424.db2.gz HGZZGLWFWBLHPM-UHFFFAOYSA-N -1 3 381.336 0.173 20 0 GCADHM O=S(=O)(NCCOCCO)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826491381 607622425 /nfs/dbraw/zinc/62/24/25/607622425.db2.gz HGZZGLWFWBLHPM-UHFFFAOYSA-N -1 3 381.336 0.173 20 0 GCADHM O=S(=O)(NCCOCCO)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826491399 607622532 /nfs/dbraw/zinc/62/25/32/607622532.db2.gz HZOMWMAGGOUJEC-UHFFFAOYSA-N -1 3 381.336 0.173 20 0 GCADHM O=S(=O)(NCCOCCO)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826491399 607622534 /nfs/dbraw/zinc/62/25/34/607622534.db2.gz HZOMWMAGGOUJEC-UHFFFAOYSA-N -1 3 381.336 0.173 20 0 GCADHM O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826487491 607623969 /nfs/dbraw/zinc/62/39/69/607623969.db2.gz PWFMBLNQZUGBTB-CYBMUJFWSA-N -1 3 377.401 0.888 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@H](CNC(C)=O)C2)cc1-c1nnn[n-]1 ZINC000826197762 607624706 /nfs/dbraw/zinc/62/47/06/607624706.db2.gz BYJIAQKHDMXHPP-CQSZACIVSA-N -1 3 387.444 0.933 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@H](CNC(C)=O)C2)cc1-c1nn[n-]n1 ZINC000826197762 607624707 /nfs/dbraw/zinc/62/47/07/607624707.db2.gz BYJIAQKHDMXHPP-CQSZACIVSA-N -1 3 387.444 0.933 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCN(CCO)CC1 ZINC000826494054 607625954 /nfs/dbraw/zinc/62/59/54/607625954.db2.gz NFBKIMZZAZRPPC-UHFFFAOYSA-N -1 3 386.865 0.209 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCN(CCO)CC1 ZINC000826494054 607625956 /nfs/dbraw/zinc/62/59/56/607625956.db2.gz NFBKIMZZAZRPPC-UHFFFAOYSA-N -1 3 386.865 0.209 20 0 GCADHM CC(C)COC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824272497 607626249 /nfs/dbraw/zinc/62/62/49/607626249.db2.gz YYKHUGMPBJPGQE-JTQLQIEISA-N -1 3 389.865 0.832 20 0 GCADHM CC(C)COC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824272497 607626250 /nfs/dbraw/zinc/62/62/50/607626250.db2.gz YYKHUGMPBJPGQE-JTQLQIEISA-N -1 3 389.865 0.832 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](O)COc1ccccc1 ZINC000826255914 607626678 /nfs/dbraw/zinc/62/66/78/607626678.db2.gz OKVBZQIRGLKBIZ-CQSZACIVSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](O)COc1ccccc1 ZINC000826255914 607626679 /nfs/dbraw/zinc/62/66/79/607626679.db2.gz OKVBZQIRGLKBIZ-CQSZACIVSA-N -1 3 389.437 0.893 20 0 GCADHM CCN(CC)S(=O)(=O)CC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825417430 607626957 /nfs/dbraw/zinc/62/69/57/607626957.db2.gz RRIXJOGHTFFVMA-UHFFFAOYSA-N -1 3 382.446 0.163 20 0 GCADHM CCN(CC)S(=O)(=O)CC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825417430 607626958 /nfs/dbraw/zinc/62/69/58/607626958.db2.gz RRIXJOGHTFFVMA-UHFFFAOYSA-N -1 3 382.446 0.163 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824315433 607629053 /nfs/dbraw/zinc/62/90/53/607629053.db2.gz NHXATPYEEGQXHK-ZDUSSCGKSA-N -1 3 399.473 0.290 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824315433 607629054 /nfs/dbraw/zinc/62/90/54/607629054.db2.gz NHXATPYEEGQXHK-ZDUSSCGKSA-N -1 3 399.473 0.290 20 0 GCADHM COc1cccc([C@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826215405 607630921 /nfs/dbraw/zinc/63/09/21/607630921.db2.gz NZLBUQNUEZCWLK-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826215405 607630922 /nfs/dbraw/zinc/63/09/22/607630922.db2.gz NZLBUQNUEZCWLK-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM O=C(NC[C@@H]1CCCn2ccnc21)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826434950 607630998 /nfs/dbraw/zinc/63/09/98/607630998.db2.gz CBUXTOFWGVNCFK-JTQLQIEISA-N -1 3 384.375 0.835 20 0 GCADHM O=C(NC[C@@H]1CCCn2ccnc21)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826434950 607631000 /nfs/dbraw/zinc/63/10/00/607631000.db2.gz CBUXTOFWGVNCFK-JTQLQIEISA-N -1 3 384.375 0.835 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c(C)n1 ZINC000826209777 607631074 /nfs/dbraw/zinc/63/10/74/607631074.db2.gz PUNUTZVAUPUXLA-UHFFFAOYSA-N -1 3 397.395 0.842 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c(C)n1 ZINC000826209777 607631075 /nfs/dbraw/zinc/63/10/75/607631075.db2.gz PUNUTZVAUPUXLA-UHFFFAOYSA-N -1 3 397.395 0.842 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H](O)Cc1ccccc1 ZINC000824473308 607631899 /nfs/dbraw/zinc/63/18/99/607631899.db2.gz ZTNUXOUIBCLTBP-MLGOLLRUSA-N -1 3 380.408 0.914 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H](O)Cc1ccccc1 ZINC000824473308 607631901 /nfs/dbraw/zinc/63/19/01/607631901.db2.gz ZTNUXOUIBCLTBP-MLGOLLRUSA-N -1 3 380.408 0.914 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000824706871 607632096 /nfs/dbraw/zinc/63/20/96/607632096.db2.gz KSTAQFHHNFAJCV-SNVBAGLBSA-N -1 3 386.865 0.207 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000824706871 607632097 /nfs/dbraw/zinc/63/20/97/607632097.db2.gz KSTAQFHHNFAJCV-SNVBAGLBSA-N -1 3 386.865 0.207 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CCOCC1 ZINC000826143672 607632221 /nfs/dbraw/zinc/63/22/21/607632221.db2.gz KQGMFFFJXVYXLJ-UHFFFAOYSA-N -1 3 394.819 0.770 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CCOCC1 ZINC000826143672 607632222 /nfs/dbraw/zinc/63/22/22/607632222.db2.gz KQGMFFFJXVYXLJ-UHFFFAOYSA-N -1 3 394.819 0.770 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000826111572 607632235 /nfs/dbraw/zinc/63/22/35/607632235.db2.gz HNASRPZEVPTGGG-ABAIWWIYSA-N -1 3 389.412 0.407 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000826111572 607632236 /nfs/dbraw/zinc/63/22/36/607632236.db2.gz HNASRPZEVPTGGG-ABAIWWIYSA-N -1 3 389.412 0.407 20 0 GCADHM COC1(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCOCC1 ZINC000826143517 607632399 /nfs/dbraw/zinc/63/23/99/607632399.db2.gz CWSWRFNZFGZFPO-UHFFFAOYSA-N -1 3 398.427 0.560 20 0 GCADHM COC1(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCOCC1 ZINC000826143517 607632400 /nfs/dbraw/zinc/63/24/00/607632400.db2.gz CWSWRFNZFGZFPO-UHFFFAOYSA-N -1 3 398.427 0.560 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N(CCO)Cc1cccnc1 ZINC000826493852 607633311 /nfs/dbraw/zinc/63/33/11/607633311.db2.gz FWJVUMZSCHGOAH-UHFFFAOYSA-N -1 3 396.379 0.723 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N(CCO)Cc1cccnc1 ZINC000826493852 607633312 /nfs/dbraw/zinc/63/33/12/607633312.db2.gz FWJVUMZSCHGOAH-UHFFFAOYSA-N -1 3 396.379 0.723 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCC[C@@H](OCCO)C1 ZINC000826494965 607634358 /nfs/dbraw/zinc/63/43/58/607634358.db2.gz XBRNFIZUUXJHIE-LLVKDONJSA-N -1 3 387.849 0.682 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000826493920 607634593 /nfs/dbraw/zinc/63/45/93/607634593.db2.gz IUNVCIOUSHWXTJ-WDEREUQCSA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000826493920 607634595 /nfs/dbraw/zinc/63/45/95/607634595.db2.gz IUNVCIOUSHWXTJ-WDEREUQCSA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N(CCO)CCOCC(F)(F)F ZINC000826495473 607634891 /nfs/dbraw/zinc/63/48/91/607634891.db2.gz QDQPODJZMXHKHA-UHFFFAOYSA-N -1 3 395.363 0.429 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N(CCO)CCOCC(F)(F)F ZINC000826495473 607634893 /nfs/dbraw/zinc/63/48/93/607634893.db2.gz QDQPODJZMXHKHA-UHFFFAOYSA-N -1 3 395.363 0.429 20 0 GCADHM O=S(=O)(N[C@H](CO)C1CC1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826487030 607638718 /nfs/dbraw/zinc/63/87/18/607638718.db2.gz AQDOIZROOVENMN-LLVKDONJSA-N -1 3 377.348 0.935 20 0 GCADHM O=S(=O)(N[C@H](CO)C1CC1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826487030 607638719 /nfs/dbraw/zinc/63/87/19/607638719.db2.gz AQDOIZROOVENMN-LLVKDONJSA-N -1 3 377.348 0.935 20 0 GCADHM O=C([C@H]1CCn2ccnc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826399333 607639468 /nfs/dbraw/zinc/63/94/68/607639468.db2.gz SXBCVVWTHYNDFM-ZDUSSCGKSA-N -1 3 379.428 0.369 20 0 GCADHM O=C([C@H]1CCn2ccnc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826399333 607639470 /nfs/dbraw/zinc/63/94/70/607639470.db2.gz SXBCVVWTHYNDFM-ZDUSSCGKSA-N -1 3 379.428 0.369 20 0 GCADHM O=C([C@@H]1CCn2ccnc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826399332 607639669 /nfs/dbraw/zinc/63/96/69/607639669.db2.gz SXBCVVWTHYNDFM-CYBMUJFWSA-N -1 3 379.428 0.369 20 0 GCADHM O=C([C@@H]1CCn2ccnc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826399332 607639671 /nfs/dbraw/zinc/63/96/71/607639671.db2.gz SXBCVVWTHYNDFM-CYBMUJFWSA-N -1 3 379.428 0.369 20 0 GCADHM O=S(=O)(NC[C@@H](O)C1CCOCC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826489309 607640049 /nfs/dbraw/zinc/64/00/49/607640049.db2.gz MFVVMGJBSVWVGA-GFCCVEGCSA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NC[C@@H](O)C1CCOCC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826489309 607640050 /nfs/dbraw/zinc/64/00/50/607640050.db2.gz MFVVMGJBSVWVGA-GFCCVEGCSA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NCCCOC[C@H]1CCOC1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826491027 607642109 /nfs/dbraw/zinc/64/21/09/607642109.db2.gz QSPIEAOVWFWZSK-LLVKDONJSA-N -1 3 385.421 0.727 20 0 GCADHM O=S(=O)(NCCCOC[C@@H]1CCOC1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826491028 607642133 /nfs/dbraw/zinc/64/21/33/607642133.db2.gz QSPIEAOVWFWZSK-NSHDSACASA-N -1 3 385.421 0.727 20 0 GCADHM OC1(CN2CCN(c3oc(C4CC4)nc3-c3nnn[n-]3)CC2)CCOCC1 ZINC000826506129 607644015 /nfs/dbraw/zinc/64/40/15/607644015.db2.gz NGEZUSZZTYBGIU-UHFFFAOYSA-N -1 3 375.433 0.396 20 0 GCADHM COc1cccc([C@H](CO)NS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826215678 607645820 /nfs/dbraw/zinc/64/58/20/607645820.db2.gz WCYOZQMPAHCZJJ-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@H](CO)NS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826215678 607645822 /nfs/dbraw/zinc/64/58/22/607645822.db2.gz WCYOZQMPAHCZJJ-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC000824706783 607648501 /nfs/dbraw/zinc/64/85/01/607648501.db2.gz JHZUBDVFSDIYKN-WDEREUQCSA-N -1 3 384.437 0.081 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC000824706783 607648502 /nfs/dbraw/zinc/64/85/02/607648502.db2.gz JHZUBDVFSDIYKN-WDEREUQCSA-N -1 3 384.437 0.081 20 0 GCADHM CCCCNC(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000825285131 607649236 /nfs/dbraw/zinc/64/92/36/607649236.db2.gz KNCDJDCDGXMXIK-UHFFFAOYSA-N -1 3 385.472 0.849 20 0 GCADHM CCCCNC(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825285131 607649237 /nfs/dbraw/zinc/64/92/37/607649237.db2.gz KNCDJDCDGXMXIK-UHFFFAOYSA-N -1 3 385.472 0.849 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000826245972 607649345 /nfs/dbraw/zinc/64/93/45/607649345.db2.gz NUPGXDKBGJJCKH-UHFFFAOYSA-N -1 3 383.456 0.555 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000826245972 607649347 /nfs/dbraw/zinc/64/93/47/607649347.db2.gz NUPGXDKBGJJCKH-UHFFFAOYSA-N -1 3 383.456 0.555 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000826301433 607652855 /nfs/dbraw/zinc/65/28/55/607652855.db2.gz FBLDDTMKLYNVSW-GFCCVEGCSA-N -1 3 377.348 0.863 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC[C@](O)(C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000826301433 607652857 /nfs/dbraw/zinc/65/28/57/607652857.db2.gz FBLDDTMKLYNVSW-GFCCVEGCSA-N -1 3 377.348 0.863 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826486907 607652878 /nfs/dbraw/zinc/65/28/78/607652878.db2.gz WNLXERSOUVEACU-GFCCVEGCSA-N -1 3 377.348 0.696 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826486907 607652880 /nfs/dbraw/zinc/65/28/80/607652880.db2.gz WNLXERSOUVEACU-GFCCVEGCSA-N -1 3 377.348 0.696 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826279306 607652945 /nfs/dbraw/zinc/65/29/45/607652945.db2.gz MPUHBCSETMGACZ-LBPRGKRZSA-N -1 3 377.348 0.863 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826279306 607652946 /nfs/dbraw/zinc/65/29/46/607652946.db2.gz MPUHBCSETMGACZ-LBPRGKRZSA-N -1 3 377.348 0.863 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000826244957 607653108 /nfs/dbraw/zinc/65/31/08/607653108.db2.gz IYGLDIJOJLIXNU-ZDUSSCGKSA-N -1 3 383.456 0.600 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000826244957 607653110 /nfs/dbraw/zinc/65/31/10/607653110.db2.gz IYGLDIJOJLIXNU-ZDUSSCGKSA-N -1 3 383.456 0.600 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c2ccncc2N1 ZINC000826481480 607653119 /nfs/dbraw/zinc/65/31/19/607653119.db2.gz WGWROMFNXQIFEC-UHFFFAOYSA-N -1 3 375.345 0.548 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1=O ZINC000824899425 607653715 /nfs/dbraw/zinc/65/37/15/607653715.db2.gz JQBWEFHKZXYCSJ-UBHAPETDSA-N -1 3 380.405 0.293 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826495491 607653791 /nfs/dbraw/zinc/65/37/91/607653791.db2.gz QYVCDSQLXBUAEZ-NSHDSACASA-N -1 3 381.311 0.694 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC[C@@H](CN3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826301446 607649546 /nfs/dbraw/zinc/64/95/46/607649546.db2.gz FHTNICPMEBMGCT-AWEZNQCLSA-N -1 3 392.485 0.518 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC[C@@H](CN3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826301446 607649548 /nfs/dbraw/zinc/64/95/48/607649548.db2.gz FHTNICPMEBMGCT-AWEZNQCLSA-N -1 3 392.485 0.518 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CCN1C[C@@H](C)O ZINC000825210481 607650386 /nfs/dbraw/zinc/65/03/86/607650386.db2.gz HHNWSFOTVNJLGL-YPMHNXCESA-N -1 3 398.464 0.472 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCN1C[C@@H](C)O ZINC000825210481 607650388 /nfs/dbraw/zinc/65/03/88/607650388.db2.gz HHNWSFOTVNJLGL-YPMHNXCESA-N -1 3 398.464 0.472 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1C[C@H](C)O ZINC000825213448 607650959 /nfs/dbraw/zinc/65/09/59/607650959.db2.gz YIFUPGRQGWDHPE-QWHCGFSZSA-N -1 3 380.474 0.332 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1C[C@H](C)O ZINC000825213448 607650961 /nfs/dbraw/zinc/65/09/61/607650961.db2.gz YIFUPGRQGWDHPE-QWHCGFSZSA-N -1 3 380.474 0.332 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826301472 607651035 /nfs/dbraw/zinc/65/10/35/607651035.db2.gz FYIYBOILUVOCLF-CQSZACIVSA-N -1 3 392.485 0.660 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826301472 607651037 /nfs/dbraw/zinc/65/10/37/607651037.db2.gz FYIYBOILUVOCLF-CQSZACIVSA-N -1 3 392.485 0.660 20 0 GCADHM NC(=O)COc1cccc(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826391353 607651551 /nfs/dbraw/zinc/65/15/51/607651551.db2.gz HMVHPGBCAZRAMY-UHFFFAOYSA-N -1 3 388.409 0.209 20 0 GCADHM NC(=O)COc1cccc(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826391353 607651553 /nfs/dbraw/zinc/65/15/53/607651553.db2.gz HMVHPGBCAZRAMY-UHFFFAOYSA-N -1 3 388.409 0.209 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCN1C[C@@H](C)O ZINC000825210300 607652461 /nfs/dbraw/zinc/65/24/61/607652461.db2.gz GDYYLBIXRKTGFN-HIFRSBDPSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCN1C[C@@H](C)O ZINC000825210300 607652463 /nfs/dbraw/zinc/65/24/63/607652463.db2.gz GDYYLBIXRKTGFN-HIFRSBDPSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000825121704 607654513 /nfs/dbraw/zinc/65/45/13/607654513.db2.gz ULIJKPYHRNNUJE-LLVKDONJSA-N -1 3 384.437 0.083 20 0 GCADHM CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000825121704 607654514 /nfs/dbraw/zinc/65/45/14/607654514.db2.gz ULIJKPYHRNNUJE-LLVKDONJSA-N -1 3 384.437 0.083 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1-c1nnn[n-]1 ZINC000826302854 607654787 /nfs/dbraw/zinc/65/47/87/607654787.db2.gz UPHQTPIXXRZAGH-UTUOFQBUSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000826302854 607654788 /nfs/dbraw/zinc/65/47/88/607654788.db2.gz 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YLNWKUBBTWPSMR-UHFFFAOYSA-N -1 3 384.444 0.956 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N1CCC(N2CCCNC2=O)CC1 ZINC000826442526 607708225 /nfs/dbraw/zinc/70/82/25/607708225.db2.gz YLNWKUBBTWPSMR-UHFFFAOYSA-N -1 3 384.444 0.956 20 0 GCADHM O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826423936 607708887 /nfs/dbraw/zinc/70/88/87/607708887.db2.gz NXVSORHKVSTMEN-UHFFFAOYSA-N -1 3 383.387 0.861 20 0 GCADHM O=C(Cc1ccccc1F)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826423936 607708888 /nfs/dbraw/zinc/70/88/88/607708888.db2.gz NXVSORHKVSTMEN-UHFFFAOYSA-N -1 3 383.387 0.861 20 0 GCADHM O=C(NCc1cccc(F)n1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826443024 607712295 /nfs/dbraw/zinc/71/22/95/607712295.db2.gz WUCNRCCRKZDZOE-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1cccc(F)n1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826443024 607712297 /nfs/dbraw/zinc/71/22/97/607712297.db2.gz WUCNRCCRKZDZOE-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM CN(C)C[C@@H]1CN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CCO1 ZINC000830600566 604759611 /nfs/dbraw/zinc/75/96/11/604759611.db2.gz MQRRILLTQPXJDY-QAPCUYQASA-N -1 3 388.468 0.542 20 0 GCADHM CS(=O)(=O)CCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826222621 607719325 /nfs/dbraw/zinc/71/93/25/607719325.db2.gz FDGMNKNZLPEWFQ-UHFFFAOYSA-N -1 3 376.398 0.871 20 0 GCADHM CS(=O)(=O)CCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826222621 607719327 /nfs/dbraw/zinc/71/93/27/607719327.db2.gz FDGMNKNZLPEWFQ-UHFFFAOYSA-N -1 3 376.398 0.871 20 0 GCADHM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826090971 607722491 /nfs/dbraw/zinc/72/24/91/607722491.db2.gz SRWNWXVSZLIKIN-SECBINFHSA-N -1 3 375.414 0.594 20 0 GCADHM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826090971 607722493 /nfs/dbraw/zinc/72/24/93/607722493.db2.gz SRWNWXVSZLIKIN-SECBINFHSA-N -1 3 375.414 0.594 20 0 GCADHM COC[C@](C)(CC(=O)[O-])NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000833722399 604954201 /nfs/dbraw/zinc/95/42/01/604954201.db2.gz UCNBBYXMAKRPBN-IBGZPJMESA-N -1 3 392.456 0.832 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826391572 607726072 /nfs/dbraw/zinc/72/60/72/607726072.db2.gz REILSKWNNHGXEW-UHFFFAOYSA-N -1 3 386.347 0.191 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826391572 607726074 /nfs/dbraw/zinc/72/60/74/607726074.db2.gz REILSKWNNHGXEW-UHFFFAOYSA-N -1 3 386.347 0.191 20 0 GCADHM CC(C)N1CCC(O)(CNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000833501219 605048268 /nfs/dbraw/zinc/04/82/68/605048268.db2.gz YHZMNRZFESRQQU-UHFFFAOYSA-N -1 3 386.470 0.664 20 0 GCADHM C[C@H]1CN(CCC(=O)[O-])CCN1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000833628259 605196848 /nfs/dbraw/zinc/19/68/48/605196848.db2.gz FBWCLHBDNOFBHJ-GOEBONIOSA-N -1 3 390.440 0.345 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826486789 607744586 /nfs/dbraw/zinc/74/45/86/607744586.db2.gz QLKNDRUUJBSWKA-CQSZACIVSA-N -1 3 388.457 0.700 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826486789 607744587 /nfs/dbraw/zinc/74/45/87/607744587.db2.gz QLKNDRUUJBSWKA-CQSZACIVSA-N -1 3 388.457 0.700 20 0 GCADHM CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825897948 607745856 /nfs/dbraw/zinc/74/58/56/607745856.db2.gz SBMMNKSLWCUGAZ-UHFFFAOYSA-N -1 3 394.501 0.846 20 0 GCADHM CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825897948 607745857 /nfs/dbraw/zinc/74/58/57/607745857.db2.gz SBMMNKSLWCUGAZ-UHFFFAOYSA-N -1 3 394.501 0.846 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833621259 605296403 /nfs/dbraw/zinc/29/64/03/605296403.db2.gz MZXCWLDPHNQWIC-LPHOPBHVSA-N -1 3 377.485 0.987 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000823973230 607746371 /nfs/dbraw/zinc/74/63/71/607746371.db2.gz JLEOZLZEVZHDNM-IAQYHMDHSA-N -1 3 378.458 0.543 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000823973230 607746372 /nfs/dbraw/zinc/74/63/72/607746372.db2.gz JLEOZLZEVZHDNM-IAQYHMDHSA-N -1 3 378.458 0.543 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000823973575 607746386 /nfs/dbraw/zinc/74/63/86/607746386.db2.gz KVROXOPUDVISDD-YMTOWFKASA-N -1 3 382.421 0.541 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000823973575 607746387 /nfs/dbraw/zinc/74/63/87/607746387.db2.gz KVROXOPUDVISDD-YMTOWFKASA-N -1 3 382.421 0.541 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC000824506356 607751903 /nfs/dbraw/zinc/75/19/03/607751903.db2.gz NHSFSGFIIIYFLM-GWCFXTLKSA-N -1 3 391.432 0.949 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC000824506356 607751904 /nfs/dbraw/zinc/75/19/04/607751904.db2.gz NHSFSGFIIIYFLM-GWCFXTLKSA-N -1 3 391.432 0.949 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000825530890 607760108 /nfs/dbraw/zinc/76/01/08/607760108.db2.gz HHYSKJIRJXNYNL-VIFPVBQESA-N -1 3 394.413 0.808 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000825530890 607760109 /nfs/dbraw/zinc/76/01/09/607760109.db2.gz HHYSKJIRJXNYNL-VIFPVBQESA-N -1 3 394.413 0.808 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H](CCO)COC)cc1-c1nnn[n-]1 ZINC000825538218 607766214 /nfs/dbraw/zinc/76/62/14/607766214.db2.gz CTBPEZOQDPOQBZ-NSHDSACASA-N -1 3 393.404 0.954 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H](CCO)COC)cc1-c1nn[n-]n1 ZINC000825538218 607766215 /nfs/dbraw/zinc/76/62/15/607766215.db2.gz CTBPEZOQDPOQBZ-NSHDSACASA-N -1 3 393.404 0.954 20 0 GCADHM COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccc(NC(C)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC000833706959 605685710 /nfs/dbraw/zinc/68/57/10/605685710.db2.gz JBBLLKRDXDOVHB-UKPHBRMFSA-N -1 3 394.424 0.723 20 0 GCADHM COC(=O)[C@@H]1CCN(CCC(=O)NCC(=O)c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000833710802 605849253 /nfs/dbraw/zinc/84/92/53/605849253.db2.gz YBPJMRVZHUTDEB-CABCVRRESA-N -1 3 376.409 0.714 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)[O-])CN1CCN(C)CC1 ZINC000833517564 605919034 /nfs/dbraw/zinc/91/90/34/605919034.db2.gz SBMYSMCEURPQER-GFCCVEGCSA-N -1 3 380.420 0.462 20 0 GCADHM Cc1nsc(N2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000822530475 606021769 /nfs/dbraw/zinc/02/17/69/606021769.db2.gz CTSSEOALTKUMNF-UHFFFAOYSA-N -1 3 386.441 0.754 20 0 GCADHM Cc1nsc(N2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000822530475 606021773 /nfs/dbraw/zinc/02/17/73/606021773.db2.gz CTSSEOALTKUMNF-UHFFFAOYSA-N -1 3 386.441 0.754 20 0 GCADHM Cc1nsc(N2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822531365 606023028 /nfs/dbraw/zinc/02/30/28/606023028.db2.gz YVIMTYMGNYCCTB-UHFFFAOYSA-N -1 3 385.457 0.787 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000820529760 606028733 /nfs/dbraw/zinc/02/87/33/606028733.db2.gz RLIDFBQBUBTVAE-CYBMUJFWSA-N -1 3 382.428 0.716 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC000822894566 606044438 /nfs/dbraw/zinc/04/44/38/606044438.db2.gz BIOUJDYUDUUTTH-UHFFFAOYSA-N -1 3 386.441 0.236 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC000822894566 606044443 /nfs/dbraw/zinc/04/44/43/606044443.db2.gz BIOUJDYUDUUTTH-UHFFFAOYSA-N -1 3 386.441 0.236 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(c2nccn2C)CC1 ZINC000819877298 606064361 /nfs/dbraw/zinc/06/43/61/606064361.db2.gz SOMBVBTVWBJOIW-CYBMUJFWSA-N -1 3 381.444 0.749 20 0 GCADHM CN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)Cc1nnc2ccccn21 ZINC000821592702 606074936 /nfs/dbraw/zinc/07/49/36/606074936.db2.gz QPKZZIFZZCJUCG-UHFFFAOYSA-N -1 3 377.412 0.658 20 0 GCADHM CN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)Cc1nnc2ccccn21 ZINC000821592702 606074942 /nfs/dbraw/zinc/07/49/42/606074942.db2.gz QPKZZIFZZCJUCG-UHFFFAOYSA-N -1 3 377.412 0.658 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(CC[S@@](C)=O)CC1 ZINC000821702258 606083378 /nfs/dbraw/zinc/08/33/78/606083378.db2.gz NKUDDYMBJJRZLQ-HHHXNRCGSA-N -1 3 394.501 0.250 20 0 GCADHM O=C1[C@H](N2CC[C@@](O)(C(F)(F)F)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823503047 606084241 /nfs/dbraw/zinc/08/42/41/606084241.db2.gz ARQBBLFBKGCJNV-DOMZBBRYSA-N -1 3 382.346 0.971 20 0 GCADHM O=C1[C@H](N2CC[C@@](O)(C(F)(F)F)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823503047 606084246 /nfs/dbraw/zinc/08/42/46/606084246.db2.gz ARQBBLFBKGCJNV-DOMZBBRYSA-N -1 3 382.346 0.971 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(CCCCO)CC2)c(-c2nnn[n-]2)c1C ZINC000822547941 606091059 /nfs/dbraw/zinc/09/10/59/606091059.db2.gz DAOIJNKPBXKWHY-UHFFFAOYSA-N -1 3 377.449 0.405 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000819875639 606091098 /nfs/dbraw/zinc/09/10/98/606091098.db2.gz ARDMVRJHLHWUSE-LBPRGKRZSA-N -1 3 386.460 0.075 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000819875639 606091103 /nfs/dbraw/zinc/09/11/03/606091103.db2.gz ARDMVRJHLHWUSE-LBPRGKRZSA-N -1 3 386.460 0.075 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821635990 606101748 /nfs/dbraw/zinc/10/17/48/606101748.db2.gz AMPCALGWHFKLDJ-QMMMGPOBSA-N -1 3 391.379 0.799 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821635990 606101752 /nfs/dbraw/zinc/10/17/52/606101752.db2.gz AMPCALGWHFKLDJ-QMMMGPOBSA-N -1 3 391.379 0.799 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000819922228 606108828 /nfs/dbraw/zinc/10/88/28/606108828.db2.gz HSSHCONZVZWHNC-CQSZACIVSA-N -1 3 389.412 0.815 20 0 GCADHM CNC(=O)CC1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000821632645 606111118 /nfs/dbraw/zinc/11/11/18/606111118.db2.gz BPINWDXXGQIXCS-UHFFFAOYSA-N -1 3 375.433 0.863 20 0 GCADHM CNC(=O)CC1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000821632645 606111121 /nfs/dbraw/zinc/11/11/21/606111121.db2.gz BPINWDXXGQIXCS-UHFFFAOYSA-N -1 3 375.433 0.863 20 0 GCADHM Cn1cc(N2CCN(CCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000822684822 606116345 /nfs/dbraw/zinc/11/63/45/606116345.db2.gz KLJLJWDQEZVWLY-UHFFFAOYSA-N -1 3 395.427 0.278 20 0 GCADHM Cn1cc(N2CCN(CCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822684822 606116347 /nfs/dbraw/zinc/11/63/47/606116347.db2.gz KLJLJWDQEZVWLY-UHFFFAOYSA-N -1 3 395.427 0.278 20 0 GCADHM Cn1cc(N2CCN(Cc3cn4ccccc4c3-c3nnn[n-]3)CC2=O)cn1 ZINC000822685191 606116561 /nfs/dbraw/zinc/11/65/61/606116561.db2.gz UOTBMVZBQXYJTF-UHFFFAOYSA-N -1 3 377.412 0.702 20 0 GCADHM Cn1cc(N2CCN(Cc3cn4ccccc4c3-c3nn[n-]n3)CC2=O)cn1 ZINC000822685191 606116562 /nfs/dbraw/zinc/11/65/62/606116562.db2.gz UOTBMVZBQXYJTF-UHFFFAOYSA-N -1 3 377.412 0.702 20 0 GCADHM Cn1cc(N2CCN(CCCOc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822685401 606116616 /nfs/dbraw/zinc/11/66/16/606116616.db2.gz YVCHFRKFFACMJH-UHFFFAOYSA-N -1 3 382.428 0.718 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCO[C@H](CO)C1 ZINC000819877241 606116889 /nfs/dbraw/zinc/11/68/89/606116889.db2.gz RRZGIVBTFFLCKS-ZJUUUORDSA-N -1 3 378.458 0.437 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCO[C@H](CO)C1 ZINC000819877241 606116891 /nfs/dbraw/zinc/11/68/91/606116891.db2.gz RRZGIVBTFFLCKS-ZJUUUORDSA-N -1 3 378.458 0.437 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000820541487 606117164 /nfs/dbraw/zinc/11/71/64/606117164.db2.gz GOICXCLWPVABRD-GFCCVEGCSA-N -1 3 396.411 0.243 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000820541487 606117166 /nfs/dbraw/zinc/11/71/66/606117166.db2.gz GOICXCLWPVABRD-GFCCVEGCSA-N -1 3 396.411 0.243 20 0 GCADHM Cn1cc(C[C@@H]2CCN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC000822673880 606117786 /nfs/dbraw/zinc/11/77/86/606117786.db2.gz FIDJJAPSYOZDTA-ZDUSSCGKSA-N -1 3 396.459 0.681 20 0 GCADHM Cn1cc(C[C@@H]2CCN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC000822673880 606117788 /nfs/dbraw/zinc/11/77/88/606117788.db2.gz FIDJJAPSYOZDTA-ZDUSSCGKSA-N -1 3 396.459 0.681 20 0 GCADHM COc1ncc(C)cc1NC(=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821911552 606118778 /nfs/dbraw/zinc/11/87/78/606118778.db2.gz XZBHGRFWLMXSFB-UHFFFAOYSA-N -1 3 397.395 0.712 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000823359214 606119357 /nfs/dbraw/zinc/11/93/57/606119357.db2.gz KJQIUCNFHRPFSN-HNNXBMFYSA-N -1 3 385.428 0.128 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000823359214 606119358 /nfs/dbraw/zinc/11/93/58/606119358.db2.gz KJQIUCNFHRPFSN-HNNXBMFYSA-N -1 3 385.428 0.128 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000822216305 606119672 /nfs/dbraw/zinc/11/96/72/606119672.db2.gz LKAXXKWRGGRKPD-HNNXBMFYSA-N -1 3 399.455 0.437 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000822216305 606119673 /nfs/dbraw/zinc/11/96/73/606119673.db2.gz LKAXXKWRGGRKPD-HNNXBMFYSA-N -1 3 399.455 0.437 20 0 GCADHM Cn1cc(N2CCN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)cn1 ZINC000822680851 606119707 /nfs/dbraw/zinc/11/97/07/606119707.db2.gz QJKSXIOZYAGSAD-UHFFFAOYSA-N -1 3 399.390 0.027 20 0 GCADHM Cn1cc(N2CCN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)cn1 ZINC000822680851 606119708 /nfs/dbraw/zinc/11/97/08/606119708.db2.gz QJKSXIOZYAGSAD-UHFFFAOYSA-N -1 3 399.390 0.027 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000822674220 606120744 /nfs/dbraw/zinc/12/07/44/606120744.db2.gz OCGGXFIIVFHWBB-GFCCVEGCSA-N -1 3 380.412 0.630 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000822674220 606120746 /nfs/dbraw/zinc/12/07/46/606120746.db2.gz OCGGXFIIVFHWBB-GFCCVEGCSA-N -1 3 380.412 0.630 20 0 GCADHM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000822864704 606120823 /nfs/dbraw/zinc/12/08/23/606120823.db2.gz IUEIQSVXAMSZNF-VIFPVBQESA-N -1 3 391.819 0.573 20 0 GCADHM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000822864704 606120824 /nfs/dbraw/zinc/12/08/24/606120824.db2.gz IUEIQSVXAMSZNF-VIFPVBQESA-N -1 3 391.819 0.573 20 0 GCADHM COC[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1ccco1 ZINC000821683175 606120859 /nfs/dbraw/zinc/12/08/59/606120859.db2.gz XFXUBEFGYARGKL-LBPRGKRZSA-N -1 3 386.368 0.911 20 0 GCADHM COC[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1ccco1 ZINC000821683175 606120860 /nfs/dbraw/zinc/12/08/60/606120860.db2.gz XFXUBEFGYARGKL-LBPRGKRZSA-N -1 3 386.368 0.911 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348809 606129020 /nfs/dbraw/zinc/12/90/20/606129020.db2.gz FTVNYJYGXGGFBJ-GFCCVEGCSA-N -1 3 395.427 0.720 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348809 606129021 /nfs/dbraw/zinc/12/90/21/606129021.db2.gz FTVNYJYGXGGFBJ-GFCCVEGCSA-N -1 3 395.427 0.720 20 0 GCADHM CNC(=O)Cc1noc(COC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821634248 606130542 /nfs/dbraw/zinc/13/05/42/606130542.db2.gz ZDSCOPAKQOUTQA-VIFPVBQESA-N -1 3 387.356 0.049 20 0 GCADHM CNC(=O)Cc1noc(COC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000821634190 606130620 /nfs/dbraw/zinc/13/06/20/606130620.db2.gz WDCFNGGCUNXOIM-VIFPVBQESA-N -1 3 387.356 0.049 20 0 GCADHM CNC(=O)Cc1noc(COC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)n1 ZINC000821634190 606130623 /nfs/dbraw/zinc/13/06/23/606130623.db2.gz WDCFNGGCUNXOIM-VIFPVBQESA-N -1 3 387.356 0.049 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820292777 606130879 /nfs/dbraw/zinc/13/08/79/606130879.db2.gz GUKNBDFVZGVFMY-ZJUUUORDSA-N -1 3 381.414 0.418 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820292777 606130880 /nfs/dbraw/zinc/13/08/80/606130880.db2.gz GUKNBDFVZGVFMY-ZJUUUORDSA-N -1 3 381.414 0.418 20 0 GCADHM CC(C)c1nnnn1CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820502411 606131050 /nfs/dbraw/zinc/13/10/50/606131050.db2.gz QZGZMAWZZZESDG-JTQLQIEISA-N -1 3 385.388 0.547 20 0 GCADHM CC(C)c1nnnn1CC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820502411 606131052 /nfs/dbraw/zinc/13/10/52/606131052.db2.gz QZGZMAWZZZESDG-JTQLQIEISA-N -1 3 385.388 0.547 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820293848 606131055 /nfs/dbraw/zinc/13/10/55/606131055.db2.gz PVFQSENZSLMRSM-GWCFXTLKSA-N -1 3 393.425 0.196 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820293848 606131056 /nfs/dbraw/zinc/13/10/56/606131056.db2.gz PVFQSENZSLMRSM-GWCFXTLKSA-N -1 3 393.425 0.196 20 0 GCADHM C[C@@H](OC(=O)[C@H](C)CS(C)(=O)=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820295100 606131149 /nfs/dbraw/zinc/13/11/49/606131149.db2.gz YCBSZALPXVLIPH-NXEZZACHSA-N -1 3 381.414 0.418 20 0 GCADHM C[C@@H](OC(=O)[C@H](C)CS(C)(=O)=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820295100 606131150 /nfs/dbraw/zinc/13/11/50/606131150.db2.gz YCBSZALPXVLIPH-NXEZZACHSA-N -1 3 381.414 0.418 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000819789419 606132053 /nfs/dbraw/zinc/13/20/53/606132053.db2.gz OATIMMRPEUDNEW-ADLMAVQZSA-N -1 3 386.412 0.995 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000819789419 606132054 /nfs/dbraw/zinc/13/20/54/606132054.db2.gz OATIMMRPEUDNEW-ADLMAVQZSA-N -1 3 386.412 0.995 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000821927430 606133327 /nfs/dbraw/zinc/13/33/27/606133327.db2.gz WPUDMIPHJMWCAG-UHFFFAOYSA-N -1 3 394.392 0.891 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000821927430 606133328 /nfs/dbraw/zinc/13/33/28/606133328.db2.gz WPUDMIPHJMWCAG-UHFFFAOYSA-N -1 3 394.392 0.891 20 0 GCADHM Cn1cc(C[C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)C2)cn1 ZINC000822673802 606138153 /nfs/dbraw/zinc/13/81/53/606138153.db2.gz BVNFGGNEYZNELN-NSHDSACASA-N -1 3 388.457 0.317 20 0 GCADHM Cn1cc(C[C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)C2)cn1 ZINC000822673802 606138155 /nfs/dbraw/zinc/13/81/55/606138155.db2.gz BVNFGGNEYZNELN-NSHDSACASA-N -1 3 388.457 0.317 20 0 GCADHM CC[C@@H](C)[C@H](NC(=O)COC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000820861763 606142338 /nfs/dbraw/zinc/14/23/38/606142338.db2.gz NIGMTEKDYZWURS-BZNIZROVSA-N -1 3 389.412 0.656 20 0 GCADHM CC[C@@H](C)[C@H](NC(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000820861763 606142339 /nfs/dbraw/zinc/14/23/39/606142339.db2.gz NIGMTEKDYZWURS-BZNIZROVSA-N -1 3 389.412 0.656 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000819927989 606144343 /nfs/dbraw/zinc/14/43/43/606144343.db2.gz FILCXTLDBHZADI-CYBMUJFWSA-N -1 3 395.441 0.598 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000819927989 606144344 /nfs/dbraw/zinc/14/43/44/606144344.db2.gz FILCXTLDBHZADI-CYBMUJFWSA-N -1 3 395.441 0.598 20 0 GCADHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000820495259 606144493 /nfs/dbraw/zinc/14/44/93/606144493.db2.gz FZIAGPGMZGXQED-NSHDSACASA-N -1 3 386.412 0.065 20 0 GCADHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(C(N)=O)CC1 ZINC000820495259 606144495 /nfs/dbraw/zinc/14/44/95/606144495.db2.gz FZIAGPGMZGXQED-NSHDSACASA-N -1 3 386.412 0.065 20 0 GCADHM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822864475 606145176 /nfs/dbraw/zinc/14/51/76/606145176.db2.gz BCEGYZLYFORBAD-VIFPVBQESA-N -1 3 384.849 0.796 20 0 GCADHM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822864475 606145178 /nfs/dbraw/zinc/14/51/78/606145178.db2.gz BCEGYZLYFORBAD-VIFPVBQESA-N -1 3 384.849 0.796 20 0 GCADHM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822864474 606145245 /nfs/dbraw/zinc/14/52/45/606145245.db2.gz BCEGYZLYFORBAD-SECBINFHSA-N -1 3 384.849 0.796 20 0 GCADHM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822864474 606145247 /nfs/dbraw/zinc/14/52/47/606145247.db2.gz BCEGYZLYFORBAD-SECBINFHSA-N -1 3 384.849 0.796 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN(C2CCOCC2)CC1 ZINC000823601207 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0.789 20 0 GCADHM CCOC(=O)[C@@H](CC)S(=O)(=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821315283 606154574 /nfs/dbraw/zinc/15/45/74/606154574.db2.gz RMXQMWYXRGAAIV-GFCCVEGCSA-N -1 3 381.414 0.562 20 0 GCADHM CCOC(=O)[C@@H](CC)S(=O)(=O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821315283 606154575 /nfs/dbraw/zinc/15/45/75/606154575.db2.gz RMXQMWYXRGAAIV-GFCCVEGCSA-N -1 3 381.414 0.562 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)nc(C)n1 ZINC000822207041 606155693 /nfs/dbraw/zinc/15/56/93/606155693.db2.gz JBYLYFYJNKYPOY-LBPRGKRZSA-N -1 3 397.447 0.798 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)nc(C)n1 ZINC000822207041 606155695 /nfs/dbraw/zinc/15/56/95/606155695.db2.gz JBYLYFYJNKYPOY-LBPRGKRZSA-N -1 3 397.447 0.798 20 0 GCADHM C[C@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380698 606161322 /nfs/dbraw/zinc/16/13/22/606161322.db2.gz YWWZNMRGGBOIJY-JTQLQIEISA-N -1 3 384.404 0.429 20 0 GCADHM C[C@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 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CO[C@H](C)c1noc(CN(C)S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000821675757 606202558 /nfs/dbraw/zinc/20/25/58/606202558.db2.gz SQBSQQGHSKIGPB-SECBINFHSA-N -1 3 379.402 0.778 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821000752 606215894 /nfs/dbraw/zinc/21/58/94/606215894.db2.gz IVOBFNYAQOLEQU-NSHDSACASA-N -1 3 393.473 0.399 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821000752 606215896 /nfs/dbraw/zinc/21/58/96/606215896.db2.gz IVOBFNYAQOLEQU-NSHDSACASA-N -1 3 393.473 0.399 20 0 GCADHM Cc1ccc([C@H](CNC(=O)c2cc(-c3nnn[n-]3)cn2C)N2CCOCC2)o1 ZINC000822231036 606216864 /nfs/dbraw/zinc/21/68/64/606216864.db2.gz YCBVOOXSYHCARH-HNNXBMFYSA-N -1 3 385.428 0.910 20 0 GCADHM Cc1ccc([C@H](CNC(=O)c2cc(-c3nn[n-]n3)cn2C)N2CCOCC2)o1 ZINC000822231036 606216866 /nfs/dbraw/zinc/21/68/66/606216866.db2.gz YCBVOOXSYHCARH-HNNXBMFYSA-N -1 3 385.428 0.910 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 ZINC000821627259 606218186 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606253215 /nfs/dbraw/zinc/25/32/15/606253215.db2.gz PITYMLNIUKXZRH-UHFFFAOYSA-N -1 3 386.416 0.569 20 0 GCADHM CCOCCCNC(=O)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821378736 606255242 /nfs/dbraw/zinc/25/52/42/606255242.db2.gz SQLTVEMDASBIGS-UHFFFAOYSA-N -1 3 375.433 0.590 20 0 GCADHM CCOCCCNC(=O)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000821378736 606255244 /nfs/dbraw/zinc/25/52/44/606255244.db2.gz SQLTVEMDASBIGS-UHFFFAOYSA-N -1 3 375.433 0.590 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000822631694 606256829 /nfs/dbraw/zinc/25/68/29/606256829.db2.gz FBUJEGSTILZMGV-CQSZACIVSA-N -1 3 395.423 0.615 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000822631694 606256830 /nfs/dbraw/zinc/25/68/30/606256830.db2.gz FBUJEGSTILZMGV-CQSZACIVSA-N -1 3 395.423 0.615 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000823005550 606257203 /nfs/dbraw/zinc/25/72/03/606257203.db2.gz WGHONYWCTQYWES-DOTOQJQBSA-N -1 3 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O=C(CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)NC1CCCCC1 ZINC000822996436 606270247 /nfs/dbraw/zinc/27/02/47/606270247.db2.gz DQCWQUDXPXOVOG-UHFFFAOYSA-N -1 3 386.460 0.402 20 0 GCADHM O=C(CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)NC1CCCCC1 ZINC000822996436 606270249 /nfs/dbraw/zinc/27/02/49/606270249.db2.gz DQCWQUDXPXOVOG-UHFFFAOYSA-N -1 3 386.460 0.402 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000820384475 606273301 /nfs/dbraw/zinc/27/33/01/606273301.db2.gz GFMBBKGVRUBSJV-SECBINFHSA-N -1 3 375.414 0.344 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccc(S(N)(=O)=O)cc1 ZINC000820384475 606273303 /nfs/dbraw/zinc/27/33/03/606273303.db2.gz GFMBBKGVRUBSJV-SECBINFHSA-N -1 3 375.414 0.344 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2=O)cc1 ZINC000821794680 606276022 /nfs/dbraw/zinc/27/60/22/606276022.db2.gz JNZYMZYOLDFYIQ-AWEZNQCLSA-N -1 3 381.396 0.734 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2=O)cc1 ZINC000821794680 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WWNXSPWHORQMQK-JTQLQIEISA-N -1 3 389.441 0.604 20 0 GCADHM CC(C)COC[C@@H](O)CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000820102624 606291298 /nfs/dbraw/zinc/29/12/98/606291298.db2.gz DXRPNKKPVWZNBL-IRXDYDNUSA-N -1 3 388.472 0.985 20 0 GCADHM CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821634055 606291302 /nfs/dbraw/zinc/29/13/02/606291302.db2.gz PWAMJQNGLCEWHB-HNNXBMFYSA-N -1 3 384.444 0.319 20 0 GCADHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822459748 606292043 /nfs/dbraw/zinc/29/20/43/606292043.db2.gz VBMMFJFMNMLMCF-UHFFFAOYSA-N -1 3 381.400 0.739 20 0 GCADHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822459748 606292045 /nfs/dbraw/zinc/29/20/45/606292045.db2.gz VBMMFJFMNMLMCF-UHFFFAOYSA-N -1 3 381.400 0.739 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000822628078 606292181 /nfs/dbraw/zinc/29/21/81/606292181.db2.gz UQOVUBHKRUWKFD-UHFFFAOYSA-N -1 3 383.387 0.829 20 0 GCADHM 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20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000821652203 606320975 /nfs/dbraw/zinc/32/09/75/606320975.db2.gz NSKYRGSDLTXOGD-IRXDYDNUSA-N -1 3 397.439 0.987 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000821652203 606320977 /nfs/dbraw/zinc/32/09/77/606320977.db2.gz NSKYRGSDLTXOGD-IRXDYDNUSA-N -1 3 397.439 0.987 20 0 GCADHM CN(CCN1CCCC1=O)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821601367 606322198 /nfs/dbraw/zinc/32/21/98/606322198.db2.gz DANDKQMZPYKFTK-GFCCVEGCSA-N -1 3 375.458 0.588 20 0 GCADHM CN(CCN1CCCC1=O)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821601367 606322199 /nfs/dbraw/zinc/32/21/99/606322199.db2.gz DANDKQMZPYKFTK-GFCCVEGCSA-N -1 3 375.458 0.588 20 0 GCADHM CC[C@@H](O)CCCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820932924 606323114 /nfs/dbraw/zinc/32/31/14/606323114.db2.gz RHNQTYXPDURMHW-CQSZACIVSA-N -1 3 381.458 0.449 20 0 GCADHM CC[C@H](O)CCCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820932922 606323399 /nfs/dbraw/zinc/32/33/99/606323399.db2.gz RHNQTYXPDURMHW-AWEZNQCLSA-N -1 3 381.458 0.449 20 0 GCADHM C[C@@]1(C2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613221 606324398 /nfs/dbraw/zinc/32/43/98/606324398.db2.gz WXPUEVSBRIUJSR-GHOSXJJBSA-N -1 3 395.423 0.717 20 0 GCADHM C[C@@]1(C2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820613221 606324400 /nfs/dbraw/zinc/32/44/00/606324400.db2.gz WXPUEVSBRIUJSR-GHOSXJJBSA-N -1 3 395.423 0.717 20 0 GCADHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000820555810 606326617 /nfs/dbraw/zinc/32/66/17/606326617.db2.gz PVVAMZLUWRBDEU-CMPLNLGQSA-N -1 3 381.483 0.993 20 0 GCADHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000820555810 606326619 /nfs/dbraw/zinc/32/66/19/606326619.db2.gz PVVAMZLUWRBDEU-CMPLNLGQSA-N -1 3 381.483 0.993 20 0 GCADHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000820555814 606326850 /nfs/dbraw/zinc/32/68/50/606326850.db2.gz 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/nfs/dbraw/zinc/37/45/53/606374553.db2.gz IORVYRRBAAJJMJ-LLVKDONJSA-N -1 3 399.392 0.384 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)nc1 ZINC000822879886 606374554 /nfs/dbraw/zinc/37/45/54/606374554.db2.gz IORVYRRBAAJJMJ-LLVKDONJSA-N -1 3 399.392 0.384 20 0 GCADHM CCCNC(=O)CCC(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821114308 606375975 /nfs/dbraw/zinc/37/59/75/606375975.db2.gz NWRXRFMKRJRZKE-NSHDSACASA-N -1 3 392.441 0.883 20 0 GCADHM CCCNC(=O)CCC(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821114308 606375977 /nfs/dbraw/zinc/37/59/77/606375977.db2.gz NWRXRFMKRJRZKE-NSHDSACASA-N -1 3 392.441 0.883 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000820292353 606379008 /nfs/dbraw/zinc/37/90/08/606379008.db2.gz DKEPMHLTEZSJBF-SCZZXKLOSA-N -1 3 399.454 0.257 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820292353 606379009 /nfs/dbraw/zinc/37/90/09/606379009.db2.gz DKEPMHLTEZSJBF-SCZZXKLOSA-N -1 3 399.454 0.257 20 0 GCADHM O=C(O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)[C@@H](O)C1CCOCC1 ZINC000823392372 606379023 /nfs/dbraw/zinc/37/90/23/606379023.db2.gz OYGXXRSJAYXBHL-RYUDHWBXSA-N -1 3 393.425 0.364 20 0 GCADHM O=C(O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)[C@@H](O)C1CCOCC1 ZINC000823392372 606379024 /nfs/dbraw/zinc/37/90/24/606379024.db2.gz OYGXXRSJAYXBHL-RYUDHWBXSA-N -1 3 393.425 0.364 20 0 GCADHM COC(=O)[C@@H](OC(=O)Cn1nnnc1C(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821648754 606380326 /nfs/dbraw/zinc/38/03/26/606380326.db2.gz RONDVAAAQHQFHN-ZDUSSCGKSA-N -1 3 386.372 0.434 20 0 GCADHM COC(=O)[C@@H](OC(=O)Cn1nnnc1C(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821648754 606380328 /nfs/dbraw/zinc/38/03/28/606380328.db2.gz RONDVAAAQHQFHN-ZDUSSCGKSA-N -1 3 386.372 0.434 20 0 GCADHM CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cn2C)o1 ZINC000819810443 606382200 /nfs/dbraw/zinc/38/22/00/606382200.db2.gz JYCRDQIFZZTWBZ-SECBINFHSA-N -1 3 386.368 0.863 20 0 GCADHM CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cn2C)o1 ZINC000819810443 606382202 /nfs/dbraw/zinc/38/22/02/606382202.db2.gz JYCRDQIFZZTWBZ-SECBINFHSA-N -1 3 386.368 0.863 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)Nc1ccn(CC(F)F)n1 ZINC000823201856 606383182 /nfs/dbraw/zinc/38/31/82/606383182.db2.gz NAXZEPCHNZHNJP-UHFFFAOYSA-N -1 3 378.347 0.957 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)Nc1ccn(CC(F)F)n1 ZINC000823201856 606383184 /nfs/dbraw/zinc/38/31/84/606383184.db2.gz NAXZEPCHNZHNJP-UHFFFAOYSA-N -1 3 378.347 0.957 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000821655804 606385518 /nfs/dbraw/zinc/38/55/18/606385518.db2.gz RTCUHIQFDQVHLN-SNVBAGLBSA-N -1 3 390.400 0.162 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000821655804 606385520 /nfs/dbraw/zinc/38/55/20/606385520.db2.gz RTCUHIQFDQVHLN-SNVBAGLBSA-N -1 3 390.400 0.162 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000822659307 606386031 /nfs/dbraw/zinc/38/60/31/606386031.db2.gz JLFBJHMORUWJEA-UHFFFAOYSA-N -1 3 382.336 0.576 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000822659307 606386032 /nfs/dbraw/zinc/38/60/32/606386032.db2.gz JLFBJHMORUWJEA-UHFFFAOYSA-N -1 3 382.336 0.576 20 0 GCADHM COc1ccccc1CCNC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821890377 606386199 /nfs/dbraw/zinc/38/61/99/606386199.db2.gz MWNXECJNBQQBDK-UHFFFAOYSA-N -1 3 384.396 0.730 20 0 GCADHM COc1ccccc1CCNC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821890377 606386201 /nfs/dbraw/zinc/38/62/01/606386201.db2.gz MWNXECJNBQQBDK-UHFFFAOYSA-N -1 3 384.396 0.730 20 0 GCADHM COC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821669385 606386211 /nfs/dbraw/zinc/38/62/11/606386211.db2.gz JFHGHEMTWKGTQU-UHFFFAOYSA-N -1 3 384.352 0.787 20 0 GCADHM COC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821669385 606386213 /nfs/dbraw/zinc/38/62/13/606386213.db2.gz JFHGHEMTWKGTQU-UHFFFAOYSA-N -1 3 384.352 0.787 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000823358776 606386261 /nfs/dbraw/zinc/38/62/61/606386261.db2.gz FBMZEKDBNOEJBH-HNNXBMFYSA-N -1 3 386.412 0.602 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000823358776 606386263 /nfs/dbraw/zinc/38/62/63/606386263.db2.gz FBMZEKDBNOEJBH-HNNXBMFYSA-N -1 3 386.412 0.602 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000823332791 606386279 /nfs/dbraw/zinc/38/62/79/606386279.db2.gz RNTUIIVTFDZFDO-UHFFFAOYSA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000823332791 606386280 /nfs/dbraw/zinc/38/62/80/606386280.db2.gz RNTUIIVTFDZFDO-UHFFFAOYSA-N -1 3 389.803 0.292 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000822660279 606387889 /nfs/dbraw/zinc/38/78/89/606387889.db2.gz VBYWNFRKYCLKBS-JTQLQIEISA-N -1 3 388.344 0.235 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000822660279 606387891 /nfs/dbraw/zinc/38/78/91/606387891.db2.gz VBYWNFRKYCLKBS-JTQLQIEISA-N -1 3 388.344 0.235 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NCCOc1ccc(F)cc1 ZINC000822659222 606388329 /nfs/dbraw/zinc/38/83/29/606388329.db2.gz HRBXZAFLKFFYBD-UHFFFAOYSA-N -1 3 388.359 0.696 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NCCOc1ccc(F)cc1 ZINC000822659222 606388331 /nfs/dbraw/zinc/38/83/31/606388331.db2.gz HRBXZAFLKFFYBD-UHFFFAOYSA-N -1 3 388.359 0.696 20 0 GCADHM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821320220 606388437 /nfs/dbraw/zinc/38/84/37/606388437.db2.gz MUZMDGKCIYACQS-LBPRGKRZSA-N -1 3 390.400 0.306 20 0 GCADHM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821320220 606388438 /nfs/dbraw/zinc/38/84/38/606388438.db2.gz MUZMDGKCIYACQS-LBPRGKRZSA-N -1 3 390.400 0.306 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCc1csc(CS(C)(=O)=O)n1 ZINC000822665802 606390141 /nfs/dbraw/zinc/39/01/41/606390141.db2.gz YRNDFPDJVKQHGT-UHFFFAOYSA-N -1 3 382.427 0.563 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1csc(CS(C)(=O)=O)n1 ZINC000822665802 606390142 /nfs/dbraw/zinc/39/01/42/606390142.db2.gz YRNDFPDJVKQHGT-UHFFFAOYSA-N -1 3 382.427 0.563 20 0 GCADHM COC(=O)C1(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)cn2C)CCCCC1 ZINC000821653797 606390413 /nfs/dbraw/zinc/39/04/13/606390413.db2.gz LKRJHCHKHUBGCK-UHFFFAOYSA-N -1 3 390.400 0.354 20 0 GCADHM COC(=O)C1(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)cn2C)CCCCC1 ZINC000821653797 606390415 /nfs/dbraw/zinc/39/04/15/606390415.db2.gz LKRJHCHKHUBGCK-UHFFFAOYSA-N -1 3 390.400 0.354 20 0 GCADHM COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821640164 606390616 /nfs/dbraw/zinc/39/06/16/606390616.db2.gz CALFFXSPCMVRFI-LLVKDONJSA-N -1 3 378.389 0.066 20 0 GCADHM COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821640164 606390618 /nfs/dbraw/zinc/39/06/18/606390618.db2.gz CALFFXSPCMVRFI-LLVKDONJSA-N -1 3 378.389 0.066 20 0 GCADHM COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821640165 606390670 /nfs/dbraw/zinc/39/06/70/606390670.db2.gz CALFFXSPCMVRFI-NSHDSACASA-N -1 3 378.389 0.066 20 0 GCADHM COC(=O)[C@H](CC(C)C)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821640165 606390671 /nfs/dbraw/zinc/39/06/71/606390671.db2.gz CALFFXSPCMVRFI-NSHDSACASA-N -1 3 378.389 0.066 20 0 GCADHM Cn1cc([C@H]2CN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674090 606392240 /nfs/dbraw/zinc/39/22/40/606392240.db2.gz LCOCAISZNVUMHL-CQSZACIVSA-N -1 3 398.431 0.190 20 0 GCADHM Cn1cc([C@H]2CN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674090 606392243 /nfs/dbraw/zinc/39/22/43/606392243.db2.gz LCOCAISZNVUMHL-CQSZACIVSA-N -1 3 398.431 0.190 20 0 GCADHM C[C@@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1N1CCOCC1 ZINC000820743003 606393264 /nfs/dbraw/zinc/39/32/64/606393264.db2.gz PARADZZMZDFPNK-WBMJQRKESA-N -1 3 389.435 0.868 20 0 GCADHM C[C@@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1N1CCOCC1 ZINC000820743003 606393266 /nfs/dbraw/zinc/39/32/66/606393266.db2.gz PARADZZMZDFPNK-WBMJQRKESA-N -1 3 389.435 0.868 20 0 GCADHM Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822462646 606393863 /nfs/dbraw/zinc/39/38/63/606393863.db2.gz KIIMEGWOGBBPCR-CQSZACIVSA-N -1 3 383.416 0.980 20 0 GCADHM Cc1cc(C)n(CCCNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000822198843 606394283 /nfs/dbraw/zinc/39/42/83/606394283.db2.gz LXJWSAZNZOJNEV-UHFFFAOYSA-N -1 3 386.391 0.964 20 0 GCADHM Cc1cc(C)n(CCCNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000822198843 606394284 /nfs/dbraw/zinc/39/42/84/606394284.db2.gz LXJWSAZNZOJNEV-UHFFFAOYSA-N -1 3 386.391 0.964 20 0 GCADHM CCOC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821334880 606396645 /nfs/dbraw/zinc/39/66/45/606396645.db2.gz SFJVQMXBGVNTOT-UHFFFAOYSA-N -1 3 391.363 0.245 20 0 GCADHM CCOC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821334880 606396646 /nfs/dbraw/zinc/39/66/46/606396646.db2.gz SFJVQMXBGVNTOT-UHFFFAOYSA-N -1 3 391.363 0.245 20 0 GCADHM NC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822865213 606397195 /nfs/dbraw/zinc/39/71/95/606397195.db2.gz YAYKNKWEJHTDRW-UHFFFAOYSA-N -1 3 375.364 0.058 20 0 GCADHM NC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822865213 606397196 /nfs/dbraw/zinc/39/71/96/606397196.db2.gz YAYKNKWEJHTDRW-UHFFFAOYSA-N -1 3 375.364 0.058 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819922543 606398915 /nfs/dbraw/zinc/39/89/15/606398915.db2.gz LIIKNEWHHJGJQD-UHFFFAOYSA-N -1 3 377.380 0.365 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819922543 606398916 /nfs/dbraw/zinc/39/89/16/606398916.db2.gz LIIKNEWHHJGJQD-UHFFFAOYSA-N -1 3 377.380 0.365 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)NC1CCCC1 ZINC000823000549 606398988 /nfs/dbraw/zinc/39/89/88/606398988.db2.gz AMGRNQRSXQYJDU-UHFFFAOYSA-N -1 3 375.364 0.119 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)NC1CCCC1 ZINC000823000549 606398989 /nfs/dbraw/zinc/39/89/89/606398989.db2.gz AMGRNQRSXQYJDU-UHFFFAOYSA-N -1 3 375.364 0.119 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)S(C)(=O)=O ZINC000819884445 606400754 /nfs/dbraw/zinc/40/07/54/606400754.db2.gz WVDUNRQRMATCNM-DTWKUNHWSA-N -1 3 398.420 0.224 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)S(C)(=O)=O ZINC000819884445 606400755 /nfs/dbraw/zinc/40/07/55/606400755.db2.gz WVDUNRQRMATCNM-DTWKUNHWSA-N -1 3 398.420 0.224 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820467587 606400772 /nfs/dbraw/zinc/40/07/72/606400772.db2.gz KFBLCCVBKOKNHK-SFHVURJKSA-N -1 3 384.371 0.968 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820467587 606400773 /nfs/dbraw/zinc/40/07/73/606400773.db2.gz KFBLCCVBKOKNHK-SFHVURJKSA-N -1 3 384.371 0.968 20 0 GCADHM COCCOC1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821692411 606401520 /nfs/dbraw/zinc/40/15/20/606401520.db2.gz WYWZBPWCROYAOL-UHFFFAOYSA-N -1 3 392.391 0.598 20 0 GCADHM COCCOC1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821692411 606401522 /nfs/dbraw/zinc/40/15/22/606401522.db2.gz WYWZBPWCROYAOL-UHFFFAOYSA-N -1 3 392.391 0.598 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)CN1CCOCC1 ZINC000820262814 606402465 /nfs/dbraw/zinc/40/24/65/606402465.db2.gz ZPHTWYJGAMEZDU-NSHDSACASA-N -1 3 391.407 0.029 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000823337538 606404014 /nfs/dbraw/zinc/40/40/14/606404014.db2.gz NPJZPQOUHBDDJB-SNVBAGLBSA-N -1 3 388.281 0.734 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000823337538 606404016 /nfs/dbraw/zinc/40/40/16/606404016.db2.gz NPJZPQOUHBDDJB-SNVBAGLBSA-N -1 3 388.281 0.734 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821692330 606404981 /nfs/dbraw/zinc/40/49/81/606404981.db2.gz UZUVDDXXZSAYLT-LLVKDONJSA-N -1 3 392.391 0.456 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821692330 606404983 /nfs/dbraw/zinc/40/49/83/606404983.db2.gz UZUVDDXXZSAYLT-LLVKDONJSA-N -1 3 392.391 0.456 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1=O ZINC000820667719 606405436 /nfs/dbraw/zinc/40/54/36/606405436.db2.gz NRGRKDDGAMSKIZ-DVYJOKAKSA-N -1 3 387.375 0.070 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1=O ZINC000820667719 606405437 /nfs/dbraw/zinc/40/54/37/606405437.db2.gz NRGRKDDGAMSKIZ-DVYJOKAKSA-N -1 3 387.375 0.070 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000821756770 606405909 /nfs/dbraw/zinc/40/59/09/606405909.db2.gz RSSFCWUIGNBWMT-LLVKDONJSA-N -1 3 397.399 0.365 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000821756770 606405911 /nfs/dbraw/zinc/40/59/11/606405911.db2.gz RSSFCWUIGNBWMT-LLVKDONJSA-N -1 3 397.399 0.365 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1=O ZINC000820667718 606405928 /nfs/dbraw/zinc/40/59/28/606405928.db2.gz NRGRKDDGAMSKIZ-DFAYQTQMSA-N -1 3 387.375 0.070 20 0 GCADHM 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O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)NCCCN1CCCC1=O ZINC000823022422 606566042 /nfs/dbraw/zinc/56/60/42/606566042.db2.gz GCWSFKKIIMPRBH-UHFFFAOYSA-N -1 3 378.414 0.214 20 0 GCADHM O=C(OCCN1C(=O)NC2(CCCC2)C1=O)c1cc(-c2nnn[n-]2)cs1 ZINC000823405370 606567875 /nfs/dbraw/zinc/56/78/75/606567875.db2.gz OVPWDIQKBCHXSW-UHFFFAOYSA-N -1 3 376.398 0.950 20 0 GCADHM O=C(OCCN1C(=O)NC2(CCCC2)C1=O)c1cc(-c2nn[n-]n2)cs1 ZINC000823405370 606567877 /nfs/dbraw/zinc/56/78/77/606567877.db2.gz OVPWDIQKBCHXSW-UHFFFAOYSA-N -1 3 376.398 0.950 20 0 GCADHM NS(=O)(=O)c1ccc(OCCOC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822899812 606569339 /nfs/dbraw/zinc/56/93/39/606569339.db2.gz UDSYQODKBJBSHJ-UHFFFAOYSA-N -1 3 395.422 0.811 20 0 GCADHM NS(=O)(=O)c1ccc(OCCOC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822899812 606569340 /nfs/dbraw/zinc/56/93/40/606569340.db2.gz UDSYQODKBJBSHJ-UHFFFAOYSA-N -1 3 395.422 0.811 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(-c3nnn[n-]3)cs1)CC2 ZINC000822899806 606572570 /nfs/dbraw/zinc/57/25/70/606572570.db2.gz TYQYGFQEJNCMRP-UHFFFAOYSA-N -1 3 376.423 0.779 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(-c3nn[n-]n3)cs1)CC2 ZINC000822899806 606572572 /nfs/dbraw/zinc/57/25/72/606572572.db2.gz TYQYGFQEJNCMRP-UHFFFAOYSA-N -1 3 376.423 0.779 20 0 GCADHM CNC(=O)CCOC1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821632995 606581154 /nfs/dbraw/zinc/58/11/54/606581154.db2.gz SENUPTFMPZHROJ-UHFFFAOYSA-N -1 3 387.444 0.422 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000822899921 606581593 /nfs/dbraw/zinc/58/15/93/606581593.db2.gz YOXFOYLPXAKOII-LLVKDONJSA-N -1 3 393.411 0.128 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000822899921 606581595 /nfs/dbraw/zinc/58/15/95/606581595.db2.gz YOXFOYLPXAKOII-LLVKDONJSA-N -1 3 393.411 0.128 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)NC[C@H]2C1 ZINC000822917430 606582598 /nfs/dbraw/zinc/58/25/98/606582598.db2.gz UIWNUWANLRHCOM-LSDHHAIUSA-N -1 3 382.428 0.072 20 0 GCADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000823493023 606583255 /nfs/dbraw/zinc/58/32/55/606583255.db2.gz DQMASEBCIPQOAO-UHFFFAOYSA-N -1 3 392.423 0.692 20 0 GCADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000823493023 606583256 /nfs/dbraw/zinc/58/32/56/606583256.db2.gz DQMASEBCIPQOAO-UHFFFAOYSA-N -1 3 392.423 0.692 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820768049 606584309 /nfs/dbraw/zinc/58/43/09/606584309.db2.gz LINFJYGBMSIJNM-RISCZKNCSA-N -1 3 378.458 0.195 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820768049 606584310 /nfs/dbraw/zinc/58/43/10/606584310.db2.gz LINFJYGBMSIJNM-RISCZKNCSA-N -1 3 378.458 0.195 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC000820768833 606584411 /nfs/dbraw/zinc/58/44/11/606584411.db2.gz QAPVPQVKRZRVIW-YPMHNXCESA-N -1 3 393.473 0.440 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC000820768833 606584412 /nfs/dbraw/zinc/58/44/12/606584412.db2.gz QAPVPQVKRZRVIW-YPMHNXCESA-N -1 3 393.473 0.440 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820769489 606584414 /nfs/dbraw/zinc/58/44/14/606584414.db2.gz ULUYDQZXYVXFBV-RISCZKNCSA-N -1 3 394.457 0.032 20 0 GCADHM CC(C)(C)N1C[C@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000819914109 606584863 /nfs/dbraw/zinc/58/48/63/606584863.db2.gz LWEPJINISNYHOD-CYBMUJFWSA-N -1 3 385.428 0.112 20 0 GCADHM CC(C)(C)N1C[C@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000819914109 606584864 /nfs/dbraw/zinc/58/48/64/606584864.db2.gz LWEPJINISNYHOD-CYBMUJFWSA-N -1 3 385.428 0.112 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@H]1CSCCS1 ZINC000823206158 606586891 /nfs/dbraw/zinc/58/68/91/606586891.db2.gz MDVDFDPDESEQAI-JTQLQIEISA-N -1 3 380.503 0.821 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@H]1CSCCS1 ZINC000823206158 606586894 /nfs/dbraw/zinc/58/68/94/606586894.db2.gz MDVDFDPDESEQAI-JTQLQIEISA-N -1 3 380.503 0.821 20 0 GCADHM CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC000820919849 606588460 /nfs/dbraw/zinc/58/84/60/606588460.db2.gz GWXRFVZWVLQQOL-OAHLLOKOSA-N -1 3 387.444 0.646 20 0 GCADHM CC[C@@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC000820919849 606588462 /nfs/dbraw/zinc/58/84/62/606588462.db2.gz GWXRFVZWVLQQOL-OAHLLOKOSA-N -1 3 387.444 0.646 20 0 GCADHM Cc1cc(=O)c(C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)c[nH]1 ZINC000822159874 606588844 /nfs/dbraw/zinc/58/88/44/606588844.db2.gz FJIBKQCHVBHPSO-UHFFFAOYSA-N -1 3 377.368 0.756 20 0 GCADHM Cc1cc(=O)c(C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)c[nH]1 ZINC000822159874 606588846 /nfs/dbraw/zinc/58/88/46/606588846.db2.gz FJIBKQCHVBHPSO-UHFFFAOYSA-N -1 3 377.368 0.756 20 0 GCADHM CN1CC[C@H](C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)CC1=O ZINC000821622179 606590107 /nfs/dbraw/zinc/59/01/07/606590107.db2.gz VGETWASOBPUSBW-ZDUSSCGKSA-N -1 3 381.400 0.313 20 0 GCADHM CN1CC[C@H](C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)CC1=O ZINC000821622179 606590108 /nfs/dbraw/zinc/59/01/08/606590108.db2.gz VGETWASOBPUSBW-ZDUSSCGKSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820769978 606599446 /nfs/dbraw/zinc/59/94/46/606599446.db2.gz YIDMRKIPGOUCLP-SMDDNHRTSA-N -1 3 393.473 0.336 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820769978 606599448 /nfs/dbraw/zinc/59/94/48/606599448.db2.gz YIDMRKIPGOUCLP-SMDDNHRTSA-N -1 3 393.473 0.336 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820766210 606599710 /nfs/dbraw/zinc/59/97/10/606599710.db2.gz ANFJUDNCBHISQV-RISCZKNCSA-N -1 3 393.473 0.336 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820766210 606599711 /nfs/dbraw/zinc/59/97/11/606599711.db2.gz ANFJUDNCBHISQV-RISCZKNCSA-N -1 3 393.473 0.336 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821636180 606600069 /nfs/dbraw/zinc/60/00/69/606600069.db2.gz IEKKEZMZVCUXTG-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821636180 606600070 /nfs/dbraw/zinc/60/00/70/606600070.db2.gz IEKKEZMZVCUXTG-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822210529 606600624 /nfs/dbraw/zinc/60/06/24/606600624.db2.gz GCIGXRYJFZOOKA-UHFFFAOYSA-N -1 3 384.352 0.224 20 0 GCADHM Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822210529 606600625 /nfs/dbraw/zinc/60/06/25/606600625.db2.gz GCIGXRYJFZOOKA-UHFFFAOYSA-N -1 3 384.352 0.224 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821636344 606601878 /nfs/dbraw/zinc/60/18/78/606601878.db2.gz OGCKBOWHJQHCRH-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821636344 606601879 /nfs/dbraw/zinc/60/18/79/606601879.db2.gz OGCKBOWHJQHCRH-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM CN(C[C@H]1CCOC1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821597799 606601930 /nfs/dbraw/zinc/60/19/30/606601930.db2.gz HXDJCWREECLDEA-CYBMUJFWSA-N -1 3 386.460 0.908 20 0 GCADHM CN(C[C@H]1CCOC1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821597799 606601931 /nfs/dbraw/zinc/60/19/31/606601931.db2.gz HXDJCWREECLDEA-CYBMUJFWSA-N -1 3 386.460 0.908 20 0 GCADHM CC(C)CN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820081607 606604151 /nfs/dbraw/zinc/60/41/51/606604151.db2.gz MTUVCHZELDCDQX-UHFFFAOYSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)CN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820081607 606604152 /nfs/dbraw/zinc/60/41/52/606604152.db2.gz MTUVCHZELDCDQX-UHFFFAOYSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)[C@@H](C)CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820016186 606604162 /nfs/dbraw/zinc/60/41/62/606604162.db2.gz KGFIPIKDIKOSLF-LBPRGKRZSA-N -1 3 397.443 0.853 20 0 GCADHM CC(C)[C@@H](C)CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820016186 606604163 /nfs/dbraw/zinc/60/41/63/606604163.db2.gz KGFIPIKDIKOSLF-LBPRGKRZSA-N -1 3 397.443 0.853 20 0 GCADHM CC(C)(C)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819913689 606604290 /nfs/dbraw/zinc/60/42/90/606604290.db2.gz BOCBBRKJRMGVQY-UHFFFAOYSA-N -1 3 397.443 0.997 20 0 GCADHM CC(C)(C)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819913689 606604292 /nfs/dbraw/zinc/60/42/92/606604292.db2.gz BOCBBRKJRMGVQY-UHFFFAOYSA-N -1 3 397.443 0.997 20 0 GCADHM CC1(C)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000820594906 606604708 /nfs/dbraw/zinc/60/47/08/606604708.db2.gz FLAMHUMTJQIGFK-UHFFFAOYSA-N -1 3 395.427 0.704 20 0 GCADHM CC1(C)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000820594906 606604709 /nfs/dbraw/zinc/60/47/09/606604709.db2.gz FLAMHUMTJQIGFK-UHFFFAOYSA-N -1 3 395.427 0.704 20 0 GCADHM CC[C@@H](C)CN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820869892 606605053 /nfs/dbraw/zinc/60/50/53/606605053.db2.gz JQVJPFZZSWMLBE-GFCCVEGCSA-N -1 3 397.443 0.950 20 0 GCADHM CC[C@@H](C)CN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820869892 606605055 /nfs/dbraw/zinc/60/50/55/606605055.db2.gz JQVJPFZZSWMLBE-GFCCVEGCSA-N -1 3 397.443 0.950 20 0 GCADHM C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820697982 606605206 /nfs/dbraw/zinc/60/52/06/606605206.db2.gz OPYYBXULPWZMJZ-SMDDNHRTSA-N -1 3 395.427 0.750 20 0 GCADHM C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820697982 606605208 /nfs/dbraw/zinc/60/52/08/606605208.db2.gz OPYYBXULPWZMJZ-SMDDNHRTSA-N -1 3 395.427 0.750 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820307177 606606194 /nfs/dbraw/zinc/60/61/94/606606194.db2.gz KBGQSHVWWMBCDG-QMMMGPOBSA-N -1 3 375.780 0.255 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820307177 606606196 /nfs/dbraw/zinc/60/61/96/606606196.db2.gz KBGQSHVWWMBCDG-QMMMGPOBSA-N -1 3 375.780 0.255 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)Cn1cncn1 ZINC000820308413 606606319 /nfs/dbraw/zinc/60/63/19/606606319.db2.gz ULLNCHNFOPBVEQ-NSHDSACASA-N -1 3 399.415 0.389 20 0 GCADHM CC(C)C[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820055675 606606416 /nfs/dbraw/zinc/60/64/16/606606416.db2.gz JMRQPAFQGWOCSR-JTQLQIEISA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)C[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820055675 606606419 /nfs/dbraw/zinc/60/64/19/606606419.db2.gz JMRQPAFQGWOCSR-JTQLQIEISA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)Cn1cncn1 ZINC000820308412 606606433 /nfs/dbraw/zinc/60/64/33/606606433.db2.gz ULLNCHNFOPBVEQ-LLVKDONJSA-N -1 3 399.415 0.389 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000823294663 606607233 /nfs/dbraw/zinc/60/72/33/606607233.db2.gz MCIDHHDLGMFOKW-MWLCHTKSSA-N -1 3 396.354 0.826 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000823294663 606607235 /nfs/dbraw/zinc/60/72/35/606607235.db2.gz MCIDHHDLGMFOKW-MWLCHTKSSA-N -1 3 396.354 0.826 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000822216534 606608336 /nfs/dbraw/zinc/60/83/36/606608336.db2.gz RIFVLCBTNBFUAK-JKSUJKDBSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000822216534 606608339 /nfs/dbraw/zinc/60/83/39/606608339.db2.gz RIFVLCBTNBFUAK-JKSUJKDBSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)c1-c1nnn[n-]1 ZINC000822312695 606608537 /nfs/dbraw/zinc/60/85/37/606608537.db2.gz INJSUZYVVWIHMC-UHFFFAOYSA-N -1 3 387.444 0.029 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)c1-c1nn[n-]n1 ZINC000822312695 606608538 /nfs/dbraw/zinc/60/85/38/606608538.db2.gz INJSUZYVVWIHMC-UHFFFAOYSA-N -1 3 387.444 0.029 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000822314982 606610288 /nfs/dbraw/zinc/61/02/88/606610288.db2.gz XLQWLLRUCXHPHZ-STQMWFEESA-N -1 3 387.444 0.027 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000822314982 606610290 /nfs/dbraw/zinc/61/02/90/606610290.db2.gz XLQWLLRUCXHPHZ-STQMWFEESA-N -1 3 387.444 0.027 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000822216558 606610346 /nfs/dbraw/zinc/61/03/46/606610346.db2.gz SDOBKPVILXFUDV-CQSZACIVSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000822216558 606610348 /nfs/dbraw/zinc/61/03/48/606610348.db2.gz SDOBKPVILXFUDV-CQSZACIVSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000822216557 606610571 /nfs/dbraw/zinc/61/05/71/606610571.db2.gz SDOBKPVILXFUDV-AWEZNQCLSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000822216557 606610572 /nfs/dbraw/zinc/61/05/72/606610572.db2.gz SDOBKPVILXFUDV-AWEZNQCLSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000822216475 606610636 /nfs/dbraw/zinc/61/06/36/606610636.db2.gz PUPLXOFDWQQRPM-QWHCGFSZSA-N -1 3 387.444 0.027 20 0 GCADHM C[C@H](CCO)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820248653 606610776 /nfs/dbraw/zinc/61/07/76/606610776.db2.gz LZENGLSDRZJYBQ-LLVKDONJSA-N -1 3 397.395 0.880 20 0 GCADHM C[C@H](CCO)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820248653 606610779 /nfs/dbraw/zinc/61/07/79/606610779.db2.gz LZENGLSDRZJYBQ-LLVKDONJSA-N -1 3 397.395 0.880 20 0 GCADHM C[C@@H](CCO)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000820249112 606611211 /nfs/dbraw/zinc/61/12/11/606611211.db2.gz RDLIZYUICSCHBR-NSHDSACASA-N -1 3 397.395 0.880 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CCO)C(C)C ZINC000821400964 606611773 /nfs/dbraw/zinc/61/17/73/606611773.db2.gz QYRXLMWJXJEVLK-GFCCVEGCSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CCO)C(C)C ZINC000821400964 606611774 /nfs/dbraw/zinc/61/17/74/606611774.db2.gz QYRXLMWJXJEVLK-GFCCVEGCSA-N -1 3 376.417 0.727 20 0 GCADHM CC(C)OCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820146339 606612228 /nfs/dbraw/zinc/61/22/28/606612228.db2.gz KZQIGLNCEQDYOK-UHFFFAOYSA-N -1 3 387.444 0.374 20 0 GCADHM CC(C)OCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820146339 606612229 /nfs/dbraw/zinc/61/22/29/606612229.db2.gz KZQIGLNCEQDYOK-UHFFFAOYSA-N -1 3 387.444 0.374 20 0 GCADHM Cc1nonc1CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000822530493 606612243 /nfs/dbraw/zinc/61/22/43/606612243.db2.gz DMEAQQFRJJQMEO-UHFFFAOYSA-N -1 3 394.298 0.414 20 0 GCADHM Cc1nonc1CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000822530493 606612244 /nfs/dbraw/zinc/61/22/44/606612244.db2.gz DMEAQQFRJJQMEO-UHFFFAOYSA-N -1 3 394.298 0.414 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(O)(CC)CC1 ZINC000821401055 606612888 /nfs/dbraw/zinc/61/28/88/606612888.db2.gz SWDXEHLZJULOGM-UHFFFAOYSA-N -1 3 388.428 0.967 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(O)(CC)CC1 ZINC000821401055 606612889 /nfs/dbraw/zinc/61/28/89/606612889.db2.gz SWDXEHLZJULOGM-UHFFFAOYSA-N -1 3 388.428 0.967 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821863800 606613336 /nfs/dbraw/zinc/61/33/36/606613336.db2.gz PIJUOYCOYLJTNZ-OAHLLOKOSA-N -1 3 382.380 0.664 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821863800 606613338 /nfs/dbraw/zinc/61/33/38/606613338.db2.gz PIJUOYCOYLJTNZ-OAHLLOKOSA-N -1 3 382.380 0.664 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)c1 ZINC000821863075 606613451 /nfs/dbraw/zinc/61/34/51/606613451.db2.gz HNDRTAICKZPFQT-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)c1 ZINC000821863075 606613452 /nfs/dbraw/zinc/61/34/52/606613452.db2.gz HNDRTAICKZPFQT-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000821864143 606613525 /nfs/dbraw/zinc/61/35/25/606613525.db2.gz UGBVCTYDEAPGCK-INIZCTEOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000821864143 606613527 /nfs/dbraw/zinc/61/35/27/606613527.db2.gz UGBVCTYDEAPGCK-INIZCTEOSA-N -1 3 396.407 0.972 20 0 GCADHM C[C@@H](N1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1)C(F)(F)F ZINC000820306731 606613775 /nfs/dbraw/zinc/61/37/75/606613775.db2.gz DFXLDVCVUXEXPR-SNVBAGLBSA-N -1 3 397.361 0.900 20 0 GCADHM C[C@@H](N1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1)C(F)(F)F ZINC000820306731 606613777 /nfs/dbraw/zinc/61/37/77/606613777.db2.gz DFXLDVCVUXEXPR-SNVBAGLBSA-N -1 3 397.361 0.900 20 0 GCADHM CC(C)(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1=O ZINC000819914532 606614015 /nfs/dbraw/zinc/61/40/15/606614015.db2.gz VTEOEXIDDSLQRL-JTQLQIEISA-N -1 3 389.391 0.460 20 0 GCADHM CC(C)(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000819914532 606614016 /nfs/dbraw/zinc/61/40/16/606614016.db2.gz VTEOEXIDDSLQRL-JTQLQIEISA-N -1 3 389.391 0.460 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@@H](C)n2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)CC1 ZINC000819797272 606614184 /nfs/dbraw/zinc/61/41/84/606614184.db2.gz XYFDDZPDOFEWAF-CYBMUJFWSA-N -1 3 394.439 0.982 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@@H](C)n2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)CC1 ZINC000819797272 606614186 /nfs/dbraw/zinc/61/41/86/606614186.db2.gz XYFDDZPDOFEWAF-CYBMUJFWSA-N -1 3 394.439 0.982 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000822369909 606614801 /nfs/dbraw/zinc/61/48/01/606614801.db2.gz OVKLDTKJGWBZBW-UHFFFAOYSA-N -1 3 391.395 0.894 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000822369909 606614803 /nfs/dbraw/zinc/61/48/03/606614803.db2.gz OVKLDTKJGWBZBW-UHFFFAOYSA-N -1 3 391.395 0.894 20 0 GCADHM CO[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1(C)C ZINC000821678844 606614937 /nfs/dbraw/zinc/61/49/37/606614937.db2.gz SWBULWLNXMBCLD-ZIAGYGMSSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1(C)C ZINC000821678844 606614938 /nfs/dbraw/zinc/61/49/38/606614938.db2.gz SWBULWLNXMBCLD-ZIAGYGMSSA-N -1 3 386.460 0.907 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000821755343 606615047 /nfs/dbraw/zinc/61/50/47/606615047.db2.gz FFCOXOIHWQQWOP-NSHDSACASA-N -1 3 381.396 0.956 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)Cc1ccncc1 ZINC000821755343 606615048 /nfs/dbraw/zinc/61/50/48/606615048.db2.gz FFCOXOIHWQQWOP-NSHDSACASA-N -1 3 381.396 0.956 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000822215962 606615137 /nfs/dbraw/zinc/61/51/37/606615137.db2.gz AJNBWKGVODEHFE-LBPRGKRZSA-N -1 3 385.428 0.629 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000822215962 606615138 /nfs/dbraw/zinc/61/51/38/606615138.db2.gz AJNBWKGVODEHFE-LBPRGKRZSA-N -1 3 385.428 0.629 20 0 GCADHM CCOCCNC(=O)COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000821378103 606615601 /nfs/dbraw/zinc/61/56/01/606615601.db2.gz IQFVLTDVXNBVDZ-OAHLLOKOSA-N -1 3 388.428 0.531 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCOC1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850482 606616128 /nfs/dbraw/zinc/61/61/28/606616128.db2.gz IJLPKDLMNYCYQI-HNNXBMFYSA-N -1 3 375.385 0.522 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCOC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850482 606616129 /nfs/dbraw/zinc/61/61/29/606616129.db2.gz IJLPKDLMNYCYQI-HNNXBMFYSA-N -1 3 375.385 0.522 20 0 GCADHM CNC(=O)Cc1noc(CN2CCCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000821634238 606616687 /nfs/dbraw/zinc/61/66/87/606616687.db2.gz YQWISZFXMFIVOX-UHFFFAOYSA-N -1 3 397.443 0.251 20 0 GCADHM CNC(=O)Cc1noc(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000821634238 606616689 /nfs/dbraw/zinc/61/66/89/606616689.db2.gz YQWISZFXMFIVOX-UHFFFAOYSA-N -1 3 397.443 0.251 20 0 GCADHM O=C(COC(=O)CCOC1CCOCC1)Nc1sccc1-c1nnn[n-]1 ZINC000823018644 606616686 /nfs/dbraw/zinc/61/66/86/606616686.db2.gz VAENZJBXABUEIQ-UHFFFAOYSA-N -1 3 381.414 0.996 20 0 GCADHM O=C(COC(=O)CCOC1CCOCC1)Nc1sccc1-c1nn[n-]n1 ZINC000823018644 606616688 /nfs/dbraw/zinc/61/66/88/606616688.db2.gz VAENZJBXABUEIQ-UHFFFAOYSA-N -1 3 381.414 0.996 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820766903 606618301 /nfs/dbraw/zinc/61/83/01/606618301.db2.gz DZEWFXHMWCNUMV-JQWIXIFHSA-N -1 3 395.514 0.823 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820766903 606618302 /nfs/dbraw/zinc/61/83/02/606618302.db2.gz DZEWFXHMWCNUMV-JQWIXIFHSA-N -1 3 395.514 0.823 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000821766618 606620965 /nfs/dbraw/zinc/62/09/65/606620965.db2.gz ZNSHFYOHIGSANR-UHFFFAOYSA-N -1 3 392.397 0.770 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000821766618 606620966 /nfs/dbraw/zinc/62/09/66/606620966.db2.gz ZNSHFYOHIGSANR-UHFFFAOYSA-N -1 3 392.397 0.770 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823092800 606623447 /nfs/dbraw/zinc/62/34/47/606623447.db2.gz LNRVIUORRVIQDD-CABCVRRESA-N -1 3 375.454 0.977 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823092800 606623448 /nfs/dbraw/zinc/62/34/48/606623448.db2.gz LNRVIUORRVIQDD-CABCVRRESA-N -1 3 375.454 0.977 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823092802 606623643 /nfs/dbraw/zinc/62/36/43/606623643.db2.gz LNRVIUORRVIQDD-HUUCEWRRSA-N -1 3 375.454 0.977 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823092802 606623645 /nfs/dbraw/zinc/62/36/45/606623645.db2.gz LNRVIUORRVIQDD-HUUCEWRRSA-N -1 3 375.454 0.977 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823078118 606623663 /nfs/dbraw/zinc/62/36/63/606623663.db2.gz GIZFIGRXJPQRDV-GJZGRUSLSA-N -1 3 375.454 0.977 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823078118 606623665 /nfs/dbraw/zinc/62/36/65/606623665.db2.gz GIZFIGRXJPQRDV-GJZGRUSLSA-N -1 3 375.454 0.977 20 0 GCADHM CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)CCC1 ZINC000820577293 606624703 /nfs/dbraw/zinc/62/47/03/606624703.db2.gz NPMQZTWYYQUZQW-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)CCC1 ZINC000820577293 606624705 /nfs/dbraw/zinc/62/47/05/606624705.db2.gz NPMQZTWYYQUZQW-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823002396 606632361 /nfs/dbraw/zinc/63/23/61/606632361.db2.gz XQHGKAAVHPQUQC-CABCVRRESA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823002396 606632363 /nfs/dbraw/zinc/63/23/63/606632363.db2.gz XQHGKAAVHPQUQC-CABCVRRESA-N -1 3 390.469 0.847 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820286279 606635788 /nfs/dbraw/zinc/63/57/88/606635788.db2.gz ADEYPRKNDCGNEI-GXSJLCMTSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820286279 606635789 /nfs/dbraw/zinc/63/57/89/606635789.db2.gz ADEYPRKNDCGNEI-GXSJLCMTSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820286539 606635840 /nfs/dbraw/zinc/63/58/40/606635840.db2.gz CDKOKHWENQEKTQ-GXSJLCMTSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820286539 606635841 /nfs/dbraw/zinc/63/58/41/606635841.db2.gz CDKOKHWENQEKTQ-GXSJLCMTSA-N -1 3 394.819 0.769 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000821756657 606635929 /nfs/dbraw/zinc/63/59/29/606635929.db2.gz QKNKUIPDNNPLBI-PWSUYJOCSA-N -1 3 390.400 0.124 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000821756657 606635930 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GCADHM CC1(C)CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820601329 606775483 /nfs/dbraw/zinc/77/54/83/606775483.db2.gz ILOPCUZGEFPOHE-UHFFFAOYSA-N -1 3 399.498 0.149 20 0 GCADHM CC1(C)CN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCS1(=O)=O ZINC000820601217 606775628 /nfs/dbraw/zinc/77/56/28/606775628.db2.gz FOPOQQKBPVJXDZ-UHFFFAOYSA-N -1 3 398.876 0.968 20 0 GCADHM CC1(C)CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCS1(=O)=O ZINC000820601217 606775629 /nfs/dbraw/zinc/77/56/29/606775629.db2.gz FOPOQQKBPVJXDZ-UHFFFAOYSA-N -1 3 398.876 0.968 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCC(OCCCO)CC1 ZINC000821652165 606776244 /nfs/dbraw/zinc/77/62/44/606776244.db2.gz NBJZASPLUWBBET-INIZCTEOSA-N -1 3 375.429 0.944 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCC(OCCCO)CC1 ZINC000821652165 606776245 /nfs/dbraw/zinc/77/62/45/606776245.db2.gz NBJZASPLUWBBET-INIZCTEOSA-N -1 3 375.429 0.944 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCS(=O)(=O)C(C)(C)C2)c(-c2nnn[n-]2)c1C ZINC000822540376 606776828 /nfs/dbraw/zinc/77/68/28/606776828.db2.gz AALAVYADWLBMIF-JTQLQIEISA-N -1 3 396.473 0.913 20 0 GCADHM COCc1nc(SCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000821697055 606777167 /nfs/dbraw/zinc/77/71/67/606777167.db2.gz ZHNPFDPLBYASLQ-UHFFFAOYSA-N -1 3 381.443 0.697 20 0 GCADHM NC(=O)[C@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822851760 606779498 /nfs/dbraw/zinc/77/94/98/606779498.db2.gz ZVOZNCQGMWPHCO-HZPDHXFCSA-N -1 3 383.456 0.774 20 0 GCADHM CNC(=O)c1cccc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC000821636576 606782998 /nfs/dbraw/zinc/78/29/98/606782998.db2.gz VNEOSKDNMRCRMX-CYBMUJFWSA-N -1 3 393.455 0.727 20 0 GCADHM CNC(=O)c1cccc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)c1 ZINC000821636576 606783001 /nfs/dbraw/zinc/78/30/01/606783001.db2.gz VNEOSKDNMRCRMX-CYBMUJFWSA-N -1 3 393.455 0.727 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820249795 606794285 /nfs/dbraw/zinc/79/42/85/606794285.db2.gz ZXTFRQUZXUALGY-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820249795 606794287 /nfs/dbraw/zinc/79/42/87/606794287.db2.gz ZXTFRQUZXUALGY-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821920400 606794767 /nfs/dbraw/zinc/79/47/67/606794767.db2.gz QSYLZUZIHZRMFC-CYBMUJFWSA-N -1 3 383.455 0.192 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821920400 606794769 /nfs/dbraw/zinc/79/47/69/606794769.db2.gz QSYLZUZIHZRMFC-CYBMUJFWSA-N -1 3 383.455 0.192 20 0 GCADHM O=C(C1CCCC1)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822916774 606795270 /nfs/dbraw/zinc/79/52/70/606795270.db2.gz CVNGXDKOGAZPKS-CQSZACIVSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(C1CCCC1)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822916774 606795272 /nfs/dbraw/zinc/79/52/72/606795272.db2.gz CVNGXDKOGAZPKS-CQSZACIVSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823212021 606795504 /nfs/dbraw/zinc/79/55/04/606795504.db2.gz TZYVVDIVSIEEHU-HZPDHXFCSA-N -1 3 388.428 0.835 20 0 GCADHM O=C(C1CCCC1)N1CC[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000822916953 606795730 /nfs/dbraw/zinc/79/57/30/606795730.db2.gz JQENFPIIGGCYSS-AWEZNQCLSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(C1CCCC1)N1CC[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000822916953 606795732 /nfs/dbraw/zinc/79/57/32/606795732.db2.gz JQENFPIIGGCYSS-AWEZNQCLSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000823191905 606798371 /nfs/dbraw/zinc/79/83/71/606798371.db2.gz ROZZVNFCXUPOAT-LBPRGKRZSA-N -1 3 376.421 0.168 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000823191905 606798372 /nfs/dbraw/zinc/79/83/72/606798372.db2.gz ROZZVNFCXUPOAT-LBPRGKRZSA-N -1 3 376.421 0.168 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820249745 606799727 /nfs/dbraw/zinc/79/97/27/606799727.db2.gz ZDDRBSAKFYGPIM-LLVKDONJSA-N -1 3 382.446 0.368 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CCOCC1 ZINC000820351297 606800004 /nfs/dbraw/zinc/80/00/04/606800004.db2.gz OHEXLAABYYNPHW-CYBMUJFWSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CCOCC1 ZINC000820351297 606800006 /nfs/dbraw/zinc/80/00/06/606800006.db2.gz OHEXLAABYYNPHW-CYBMUJFWSA-N -1 3 386.460 0.908 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000823161005 606803668 /nfs/dbraw/zinc/80/36/68/606803668.db2.gz JKAGHQIJSDLLAA-MRXNPFEDSA-N -1 3 393.407 0.671 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000823161005 606803669 /nfs/dbraw/zinc/80/36/69/606803669.db2.gz JKAGHQIJSDLLAA-MRXNPFEDSA-N -1 3 393.407 0.671 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821637566 606806721 /nfs/dbraw/zinc/80/67/21/606806721.db2.gz LIYCDBTVSROUHT-UHFFFAOYSA-N -1 3 388.432 0.293 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821637566 606806722 /nfs/dbraw/zinc/80/67/22/606806722.db2.gz LIYCDBTVSROUHT-UHFFFAOYSA-N -1 3 388.432 0.293 20 0 GCADHM COc1ncc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC000821920597 606807649 /nfs/dbraw/zinc/80/76/49/606807649.db2.gz UYXOUMSHUNOURU-UHFFFAOYSA-N -1 3 398.383 0.570 20 0 GCADHM COC[C@@](C)(O)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821681863 606807680 /nfs/dbraw/zinc/80/76/80/606807680.db2.gz UDWMEQUQRSMDSI-QGZVFWFLSA-N -1 3 376.417 0.164 20 0 GCADHM COC[C@@](C)(O)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821681863 606807681 /nfs/dbraw/zinc/80/76/81/606807681.db2.gz UDWMEQUQRSMDSI-QGZVFWFLSA-N -1 3 376.417 0.164 20 0 GCADHM O=C(CCn1ccnn1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000822987435 606808492 /nfs/dbraw/zinc/80/84/92/606808492.db2.gz XXCVCTOBEHHFKG-UHFFFAOYSA-N -1 3 383.416 0.448 20 0 GCADHM O=C(CCn1ccnn1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000822987435 606808494 /nfs/dbraw/zinc/80/84/94/606808494.db2.gz XXCVCTOBEHHFKG-UHFFFAOYSA-N -1 3 383.416 0.448 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000822222844 606809800 /nfs/dbraw/zinc/80/98/00/606809800.db2.gz VQXAJFWIFHDGKG-NSHDSACASA-N -1 3 399.498 0.761 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000822222844 606809801 /nfs/dbraw/zinc/80/98/01/606809801.db2.gz VQXAJFWIFHDGKG-NSHDSACASA-N -1 3 399.498 0.761 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823162672 606812839 /nfs/dbraw/zinc/81/28/39/606812839.db2.gz ZEDSTOGNFGUOQT-GJZGRUSLSA-N -1 3 386.412 0.003 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823162672 606812841 /nfs/dbraw/zinc/81/28/41/606812841.db2.gz ZEDSTOGNFGUOQT-GJZGRUSLSA-N -1 3 386.412 0.003 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000823253003 606814645 /nfs/dbraw/zinc/81/46/45/606814645.db2.gz DRYMEZHEHMYTII-OAHLLOKOSA-N -1 3 396.411 0.497 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000823253003 606814646 /nfs/dbraw/zinc/81/46/46/606814646.db2.gz DRYMEZHEHMYTII-OAHLLOKOSA-N -1 3 396.411 0.497 20 0 GCADHM CC(C)Cn1cc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000820108929 606815204 /nfs/dbraw/zinc/81/52/04/606815204.db2.gz VMDUHBFKPYURMF-UHFFFAOYSA-N -1 3 398.427 0.853 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H](CCO)C1 ZINC000820152491 606815446 /nfs/dbraw/zinc/81/54/46/606815446.db2.gz ZWRSTYHREBHNMU-GFCCVEGCSA-N -1 3 388.428 0.823 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](CCO)C1 ZINC000820152491 606815448 /nfs/dbraw/zinc/81/54/48/606815448.db2.gz ZWRSTYHREBHNMU-GFCCVEGCSA-N -1 3 388.428 0.823 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000820836981 606817135 /nfs/dbraw/zinc/81/71/35/606817135.db2.gz FSLFOBMKUAMOAT-JTQLQIEISA-N -1 3 391.819 0.586 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000820836981 606817137 /nfs/dbraw/zinc/81/71/37/606817137.db2.gz FSLFOBMKUAMOAT-JTQLQIEISA-N -1 3 391.819 0.586 20 0 GCADHM Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1ccc(Cl)c(-c3nnn[n-]3)c1)C2 ZINC000822463595 606817872 /nfs/dbraw/zinc/81/78/72/606817872.db2.gz UBAHIMSOZDGANO-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1ccc(Cl)c(-c3nn[n-]n3)c1)C2 ZINC000822463595 606817874 /nfs/dbraw/zinc/81/78/74/606817874.db2.gz UBAHIMSOZDGANO-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1Cl)C2 ZINC000822462613 606817921 /nfs/dbraw/zinc/81/79/21/606817921.db2.gz JMISXHVEZGWDBY-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1Cl)C2 ZINC000822462613 606817923 /nfs/dbraw/zinc/81/79/23/606817923.db2.gz JMISXHVEZGWDBY-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)CCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822312120 606818034 /nfs/dbraw/zinc/81/80/34/606818034.db2.gz AOIXQKYOLODWBI-SNVBAGLBSA-N -1 3 380.430 0.053 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)CCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822312120 606818036 /nfs/dbraw/zinc/81/80/36/606818036.db2.gz AOIXQKYOLODWBI-SNVBAGLBSA-N -1 3 380.430 0.053 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000820151670 606818585 /nfs/dbraw/zinc/81/85/85/606818585.db2.gz MGHJGNFUQAIDPQ-NSHDSACASA-N -1 3 395.445 0.549 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000820151670 606818588 /nfs/dbraw/zinc/81/85/88/606818588.db2.gz MGHJGNFUQAIDPQ-NSHDSACASA-N -1 3 395.445 0.549 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821931711 606819083 /nfs/dbraw/zinc/81/90/83/606819083.db2.gz GPNDWNYUDFYGGR-AAEUAGOBSA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821931711 606819085 /nfs/dbraw/zinc/81/90/85/606819085.db2.gz GPNDWNYUDFYGGR-AAEUAGOBSA-N -1 3 394.457 0.080 20 0 GCADHM O=C(Nc1ccsc1)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823375905 606822932 /nfs/dbraw/zinc/82/29/32/606822932.db2.gz OVDJWMQDYXHCDO-UHFFFAOYSA-N -1 3 384.425 0.611 20 0 GCADHM O=C(Nc1ccsc1)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823375905 606822933 /nfs/dbraw/zinc/82/29/33/606822933.db2.gz OVDJWMQDYXHCDO-UHFFFAOYSA-N -1 3 384.425 0.611 20 0 GCADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCC(=O)N[C@H](C)C(=O)N(C)C ZINC000821699675 606824037 /nfs/dbraw/zinc/82/40/37/606824037.db2.gz YXTXSQOXKKRKNR-MRVPVSSYSA-N -1 3 382.808 0.500 20 0 GCADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCC(=O)N[C@H](C)C(=O)N(C)C ZINC000821699675 606824038 /nfs/dbraw/zinc/82/40/38/606824038.db2.gz YXTXSQOXKKRKNR-MRVPVSSYSA-N -1 3 382.808 0.500 20 0 GCADHM Cc1nn(CC(=O)NCC2(c3ccccc3)CCOCC2)c(N)c1-c1nnn[n-]1 ZINC000822496172 606827101 /nfs/dbraw/zinc/82/71/01/606827101.db2.gz DCAYXAGDTJSWMB-UHFFFAOYSA-N -1 3 396.455 0.818 20 0 GCADHM Cc1nn(CC(=O)NCC2(c3ccccc3)CCOCC2)c(N)c1-c1nn[n-]n1 ZINC000822496172 606827103 /nfs/dbraw/zinc/82/71/03/606827103.db2.gz DCAYXAGDTJSWMB-UHFFFAOYSA-N -1 3 396.455 0.818 20 0 GCADHM C[C@@H](NC(=O)CSCCOc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC000820333420 606828015 /nfs/dbraw/zinc/82/80/15/606828015.db2.gz BCRWJKOAMQLWSJ-LLVKDONJSA-N -1 3 378.458 0.572 20 0 GCADHM C[C@@H](NC(=O)CSCCOc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC000820333420 606828016 /nfs/dbraw/zinc/82/80/16/606828016.db2.gz BCRWJKOAMQLWSJ-LLVKDONJSA-N -1 3 378.458 0.572 20 0 GCADHM CNC(=O)[C@@H](NC(=O)CNc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000821632006 606828269 /nfs/dbraw/zinc/82/82/69/606828269.db2.gz ZOHSFXNTPLEAHP-KRWDZBQOSA-N -1 3 395.423 0.891 20 0 GCADHM CNC(=O)[C@@H](NC(=O)CNc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000821632006 606828270 /nfs/dbraw/zinc/82/82/70/606828270.db2.gz ZOHSFXNTPLEAHP-KRWDZBQOSA-N -1 3 395.423 0.891 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)Nc1nnc(-c2ccco2)o1 ZINC000823027121 606830059 /nfs/dbraw/zinc/83/00/59/606830059.db2.gz MYBXAHBHCHTDDY-UHFFFAOYSA-N -1 3 382.296 0.700 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)Nc1nnc(-c2ccco2)o1 ZINC000823027121 606830060 /nfs/dbraw/zinc/83/00/60/606830060.db2.gz MYBXAHBHCHTDDY-UHFFFAOYSA-N -1 3 382.296 0.700 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)NCCSCc2ccccc2-c2nnn[n-]2)nn1 ZINC000820481482 606832815 /nfs/dbraw/zinc/83/28/15/606832815.db2.gz WBGLJHYLYUPELL-LLVKDONJSA-N -1 3 388.457 0.561 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)NCCSCc2ccccc2-c2nn[n-]n2)nn1 ZINC000820481482 606832817 /nfs/dbraw/zinc/83/28/17/606832817.db2.gz WBGLJHYLYUPELL-LLVKDONJSA-N -1 3 388.457 0.561 20 0 GCADHM O=C(CNC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)NCCO ZINC000823005397 606833368 /nfs/dbraw/zinc/83/33/68/606833368.db2.gz PRWDMKRZEUKDBT-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM O=C(CNC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)NCCO ZINC000823005397 606833370 /nfs/dbraw/zinc/83/33/70/606833370.db2.gz PRWDMKRZEUKDBT-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CC[C@@H](CCO)C1 ZINC000823154508 606833745 /nfs/dbraw/zinc/83/37/45/606833745.db2.gz DKRUVYTYPTUZTB-ZDUSSCGKSA-N -1 3 386.460 0.644 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CC[C@@H](CCO)C1 ZINC000823154508 606833747 /nfs/dbraw/zinc/83/37/47/606833747.db2.gz DKRUVYTYPTUZTB-ZDUSSCGKSA-N -1 3 386.460 0.644 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000821763452 606834664 /nfs/dbraw/zinc/83/46/64/606834664.db2.gz YUFMEVWCWLDFKU-UHFFFAOYSA-N -1 3 380.430 0.916 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000821763452 606834666 /nfs/dbraw/zinc/83/46/66/606834666.db2.gz YUFMEVWCWLDFKU-UHFFFAOYSA-N -1 3 380.430 0.916 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823190896 606838044 /nfs/dbraw/zinc/83/80/44/606838044.db2.gz FYENYYXMJLYQNE-NSHDSACASA-N -1 3 378.364 0.256 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823190896 606838046 /nfs/dbraw/zinc/83/80/46/606838046.db2.gz FYENYYXMJLYQNE-NSHDSACASA-N -1 3 378.364 0.256 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(OCCCO)CC2)c1-c1nnn[n-]1 ZINC000822309145 606839713 /nfs/dbraw/zinc/83/97/13/606839713.db2.gz NOGIGTLVEPHMIN-UHFFFAOYSA-N -1 3 388.428 0.504 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(OCCCO)CC2)c1-c1nn[n-]n1 ZINC000822309145 606839714 /nfs/dbraw/zinc/83/97/14/606839714.db2.gz NOGIGTLVEPHMIN-UHFFFAOYSA-N -1 3 388.428 0.504 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cc1ccn(-c2ccccc2)n1 ZINC000822903675 606839788 /nfs/dbraw/zinc/83/97/88/606839788.db2.gz NQZOQGNTEDZFNA-UHFFFAOYSA-N -1 3 379.384 0.617 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cc1ccn(-c2ccccc2)n1 ZINC000822903675 606839789 /nfs/dbraw/zinc/83/97/89/606839789.db2.gz NQZOQGNTEDZFNA-UHFFFAOYSA-N -1 3 379.384 0.617 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(OCCCO)CC1 ZINC000822216690 606839969 /nfs/dbraw/zinc/83/99/69/606839969.db2.gz WVGKYHPPGMUVEQ-UHFFFAOYSA-N -1 3 388.428 0.504 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(OCCCO)CC1 ZINC000822216690 606839971 /nfs/dbraw/zinc/83/99/71/606839971.db2.gz WVGKYHPPGMUVEQ-UHFFFAOYSA-N -1 3 388.428 0.504 20 0 GCADHM CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821576034 606840451 /nfs/dbraw/zinc/84/04/51/606840451.db2.gz ZEYBZBMNGSHHPY-UHFFFAOYSA-N -1 3 382.421 0.495 20 0 GCADHM CC(C)(C)OC(=O)NCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000819940227 606841665 /nfs/dbraw/zinc/84/16/65/606841665.db2.gz SWHVUYNBYMIZSS-UHFFFAOYSA-N -1 3 386.409 0.809 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000819883298 606843119 /nfs/dbraw/zinc/84/31/19/606843119.db2.gz GULSUOARPGPLJJ-BDAKNGLRSA-N -1 3 391.450 0.448 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821440806 606844193 /nfs/dbraw/zinc/84/41/93/606844193.db2.gz CHTYWPMEXXBAFN-VIFPVBQESA-N -1 3 391.450 0.450 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000822146791 606846716 /nfs/dbraw/zinc/84/67/16/606846716.db2.gz ZTMLTAYISHOUES-KBPBESRZSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000822146791 606846718 /nfs/dbraw/zinc/84/67/18/606846718.db2.gz ZTMLTAYISHOUES-KBPBESRZSA-N -1 3 379.442 0.744 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823566164 606846770 /nfs/dbraw/zinc/84/67/70/606846770.db2.gz AFQCCDLBSBJOHP-HUUCEWRRSA-N -1 3 379.442 0.576 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823566164 606846771 /nfs/dbraw/zinc/84/67/71/606846771.db2.gz AFQCCDLBSBJOHP-HUUCEWRRSA-N -1 3 379.442 0.576 20 0 GCADHM COC[C@@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)OC ZINC000821680368 606847027 /nfs/dbraw/zinc/84/70/27/606847027.db2.gz HHJFLTWHGYPSIL-CYBMUJFWSA-N -1 3 389.821 0.377 20 0 GCADHM COC[C@@](C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)OC ZINC000821680368 606847029 /nfs/dbraw/zinc/84/70/29/606847029.db2.gz HHJFLTWHGYPSIL-CYBMUJFWSA-N -1 3 389.821 0.377 20 0 GCADHM CC1(C)CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000820601515 606847579 /nfs/dbraw/zinc/84/75/79/606847579.db2.gz NGOVNWZZQDLHKE-UHFFFAOYSA-N -1 3 385.471 0.206 20 0 GCADHM CC1(C)CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000820601515 606847581 /nfs/dbraw/zinc/84/75/81/606847581.db2.gz NGOVNWZZQDLHKE-UHFFFAOYSA-N -1 3 385.471 0.206 20 0 GCADHM O=C(CN1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1)N1CCCC1 ZINC000822997042 606847605 /nfs/dbraw/zinc/84/76/05/606847605.db2.gz LOORBLLTYZVVLL-KRWDZBQOSA-N -1 3 385.472 0.140 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820734351 606848102 /nfs/dbraw/zinc/84/81/02/606848102.db2.gz LXEOCNXVMAZXLM-IAQYHMDHSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820734351 606848104 /nfs/dbraw/zinc/84/81/04/606848104.db2.gz LXEOCNXVMAZXLM-IAQYHMDHSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@@H](O)COC(C)(C)C ZINC000820788753 606852913 /nfs/dbraw/zinc/85/29/13/606852913.db2.gz NNOWFKKRQSDEJM-QWHCGFSZSA-N -1 3 376.465 0.343 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@@H](O)COC(C)(C)C ZINC000820788751 606853097 /nfs/dbraw/zinc/85/30/97/606853097.db2.gz NNOWFKKRQSDEJM-CHWSQXEVSA-N -1 3 376.465 0.343 20 0 GCADHM O[C@@H](CN1CCN(c2ccc3nncn3n2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681270 606860636 /nfs/dbraw/zinc/86/06/36/606860636.db2.gz CSPRIKHMUWMGCR-HNNXBMFYSA-N -1 3 392.427 0.160 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822519781 606860983 /nfs/dbraw/zinc/86/09/83/606860983.db2.gz LRHLFQUYAOIAAF-WBMJQRKESA-N -1 3 384.444 0.970 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCN2C1=O ZINC000821241918 606862306 /nfs/dbraw/zinc/86/23/06/606862306.db2.gz QLGPNRWBFXGSGJ-CYBMUJFWSA-N -1 3 384.400 0.045 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCN2C1=O ZINC000821241918 606862307 /nfs/dbraw/zinc/86/23/07/606862307.db2.gz QLGPNRWBFXGSGJ-CYBMUJFWSA-N -1 3 384.400 0.045 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696610 606862882 /nfs/dbraw/zinc/86/28/82/606862882.db2.gz JNWVAPJILWJLIK-SMDDNHRTSA-N -1 3 397.443 0.980 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696610 606862883 /nfs/dbraw/zinc/86/28/83/606862883.db2.gz JNWVAPJILWJLIK-SMDDNHRTSA-N -1 3 397.443 0.980 20 0 GCADHM COCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696457 606862896 /nfs/dbraw/zinc/86/28/96/606862896.db2.gz DIFQDMLECAICDP-BBRMVZONSA-N -1 3 398.427 0.423 20 0 GCADHM COCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696457 606862897 /nfs/dbraw/zinc/86/28/97/606862897.db2.gz DIFQDMLECAICDP-BBRMVZONSA-N -1 3 398.427 0.423 20 0 GCADHM CN(C[C@@H](O)C1CC1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821594753 606867756 /nfs/dbraw/zinc/86/77/56/606867756.db2.gz AYCDLJUSKOQYDO-OAHLLOKOSA-N -1 3 386.460 0.643 20 0 GCADHM CN(C[C@@H](O)C1CC1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821594753 606867758 /nfs/dbraw/zinc/86/77/58/606867758.db2.gz AYCDLJUSKOQYDO-OAHLLOKOSA-N -1 3 386.460 0.643 20 0 GCADHM CN(c1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cn1C)S(C)(=O)=O ZINC000821619008 606870019 /nfs/dbraw/zinc/87/00/19/606870019.db2.gz FVDRLEGDUVJXJJ-UHFFFAOYSA-N -1 3 375.414 0.853 20 0 GCADHM CN(c1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cn1C)S(C)(=O)=O ZINC000821619008 606870021 /nfs/dbraw/zinc/87/00/21/606870021.db2.gz FVDRLEGDUVJXJJ-UHFFFAOYSA-N -1 3 375.414 0.853 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NCc1ccc2c(c1)CCS2(=O)=O ZINC000823050363 606871790 /nfs/dbraw/zinc/87/17/90/606871790.db2.gz WQCJFGKICLINQX-UHFFFAOYSA-N -1 3 399.432 0.892 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NCc1ccc2c(c1)CCS2(=O)=O ZINC000823050363 606871792 /nfs/dbraw/zinc/87/17/92/606871792.db2.gz WQCJFGKICLINQX-UHFFFAOYSA-N -1 3 399.432 0.892 20 0 GCADHM COC(=O)c1ccncc1OS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821671320 606873438 /nfs/dbraw/zinc/87/34/38/606873438.db2.gz QZROAZINTQSCRR-UHFFFAOYSA-N -1 3 375.366 0.957 20 0 GCADHM COC(=O)c1ccncc1OS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821671320 606873439 /nfs/dbraw/zinc/87/34/39/606873439.db2.gz QZROAZINTQSCRR-UHFFFAOYSA-N -1 3 375.366 0.957 20 0 GCADHM C[C@H]1C[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CN1Cc1ccccc1 ZINC000820668809 606877102 /nfs/dbraw/zinc/87/71/02/606877102.db2.gz WVINWYOUPOWKPZ-JSGCOSHPSA-N -1 3 396.455 0.339 20 0 GCADHM COC(=O)c1cccc(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)c1 ZINC000821670218 606877315 /nfs/dbraw/zinc/87/73/15/606877315.db2.gz RZGLQWFVZKNRTG-UHFFFAOYSA-N -1 3 388.409 0.913 20 0 GCADHM COC(=O)c1cccc(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)c1 ZINC000821670218 606877316 /nfs/dbraw/zinc/87/73/16/606877316.db2.gz RZGLQWFVZKNRTG-UHFFFAOYSA-N -1 3 388.409 0.913 20 0 GCADHM CCCCNC(=O)CN1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821067126 606883195 /nfs/dbraw/zinc/88/31/95/606883195.db2.gz ZOJLATPKSSVSRU-QGZVFWFLSA-N -1 3 387.488 0.434 20 0 GCADHM CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821592563 606884529 /nfs/dbraw/zinc/88/45/29/606884529.db2.gz LEEAPMLUIXYXIX-UHFFFAOYSA-N -1 3 388.400 0.680 20 0 GCADHM CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821592563 606884532 /nfs/dbraw/zinc/88/45/32/606884532.db2.gz LEEAPMLUIXYXIX-UHFFFAOYSA-N -1 3 388.400 0.680 20 0 GCADHM CCN(CC)C(=O)CN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821175892 606884635 /nfs/dbraw/zinc/88/46/35/606884635.db2.gz YJSAXLYCHVUNJX-UHFFFAOYSA-N -1 3 388.400 0.634 20 0 GCADHM CCN(CC)C(=O)CN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821175892 606884636 /nfs/dbraw/zinc/88/46/36/606884636.db2.gz YJSAXLYCHVUNJX-UHFFFAOYSA-N -1 3 388.400 0.634 20 0 GCADHM COC(=O)[C@H](C)CN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821638822 606886562 /nfs/dbraw/zinc/88/65/62/606886562.db2.gz IWSAXDKOSRJGEM-SSDOTTSWSA-N -1 3 375.357 0.575 20 0 GCADHM COC(=O)[C@H](C)CN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821638822 606886563 /nfs/dbraw/zinc/88/65/63/606886563.db2.gz IWSAXDKOSRJGEM-SSDOTTSWSA-N -1 3 375.357 0.575 20 0 GCADHM CC(=O)NC1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000819802665 606887535 /nfs/dbraw/zinc/88/75/35/606887535.db2.gz HCJAXHLJULTNLK-UHFFFAOYSA-N -1 3 386.384 0.434 20 0 GCADHM CC(=O)NC1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000819802665 606887537 /nfs/dbraw/zinc/88/75/37/606887537.db2.gz HCJAXHLJULTNLK-UHFFFAOYSA-N -1 3 386.384 0.434 20 0 GCADHM CN(C)c1ncc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)n1C ZINC000821590980 606892105 /nfs/dbraw/zinc/89/21/05/606892105.db2.gz OYQNMCABQNLROW-UHFFFAOYSA-N -1 3 398.399 0.423 20 0 GCADHM COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821656074 606894074 /nfs/dbraw/zinc/89/40/74/606894074.db2.gz XHDCZQSOFWBYMK-QMMMGPOBSA-N -1 3 387.368 0.719 20 0 GCADHM COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821656074 606894076 /nfs/dbraw/zinc/89/40/76/606894076.db2.gz XHDCZQSOFWBYMK-QMMMGPOBSA-N -1 3 387.368 0.719 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CC(OCC(F)F)C1 ZINC000823594123 606896432 /nfs/dbraw/zinc/89/64/32/606896432.db2.gz CATUCINGOXUHLJ-UHFFFAOYSA-N -1 3 381.311 0.800 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CC(OCC(F)F)C1 ZINC000823594123 606896434 /nfs/dbraw/zinc/89/64/34/606896434.db2.gz CATUCINGOXUHLJ-UHFFFAOYSA-N -1 3 381.311 0.800 20 0 GCADHM CCOCCS(=O)(=O)NCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000821383692 606902740 /nfs/dbraw/zinc/90/27/40/606902740.db2.gz HTSJGRCDJQUKJT-UHFFFAOYSA-N -1 3 398.445 0.160 20 0 GCADHM CCc1n[nH]c(=O)c(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1CC ZINC000821505455 606902895 /nfs/dbraw/zinc/90/28/95/606902895.db2.gz QJTJKOSYLREHAR-UHFFFAOYSA-N -1 3 383.416 0.724 20 0 GCADHM CCc1n[nH]c(=O)c(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1CC ZINC000821505455 606902896 /nfs/dbraw/zinc/90/28/96/606902896.db2.gz QJTJKOSYLREHAR-UHFFFAOYSA-N -1 3 383.416 0.724 20 0 GCADHM O=C([C@H]1CCCc2n[nH]cc21)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822916794 606903110 /nfs/dbraw/zinc/90/31/10/606903110.db2.gz DHCMJVXSNUAPBS-ZDUSSCGKSA-N -1 3 379.428 0.754 20 0 GCADHM 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CC(C)S(=O)(=O)CCCN(c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000820177831 606923052 /nfs/dbraw/zinc/92/30/52/606923052.db2.gz BFWOOFRXSZRPEC-UHFFFAOYSA-N -1 3 387.487 0.846 20 0 GCADHM COC(C)(C)CN(C)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000821672406 606924758 /nfs/dbraw/zinc/92/47/58/606924758.db2.gz JKOAUNJEUBVKKH-SFHVURJKSA-N -1 3 387.444 0.948 20 0 GCADHM COCCCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821687674 606925377 /nfs/dbraw/zinc/92/53/77/606925377.db2.gz JRIDBDGVJRIHRT-JKSUJKDBSA-N -1 3 395.485 0.426 20 0 GCADHM O=C(CN1CCN2C(=O)OC[C@@H]2C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823001548 606935267 /nfs/dbraw/zinc/93/52/67/606935267.db2.gz MFACNOGLURSVKN-JTQLQIEISA-N -1 3 377.792 0.595 20 0 GCADHM O=C(CN1CCN2C(=O)OC[C@@H]2C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823001548 606935269 /nfs/dbraw/zinc/93/52/69/606935269.db2.gz MFACNOGLURSVKN-JTQLQIEISA-N -1 3 377.792 0.595 20 0 GCADHM O=C(CN1CCN2C(=O)OC[C@H]2C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823001549 606935665 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0.572 20 0 GCADHM CCc1nnc(N2CCC[C@H]2CS(=O)(=O)NC)c(-c2nnn[n-]2)c1CC ZINC000821522635 606941733 /nfs/dbraw/zinc/94/17/33/606941733.db2.gz MVDRCTMYGAHISW-JTQLQIEISA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCC[C@H]2CS(=O)(=O)NC)c(-c2nn[n-]n2)c1CC ZINC000821522635 606941735 /nfs/dbraw/zinc/94/17/35/606941735.db2.gz MVDRCTMYGAHISW-JTQLQIEISA-N -1 3 380.478 0.300 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@H]2CCCC[C@@H]2N1 ZINC000281734942 606942683 /nfs/dbraw/zinc/94/26/83/606942683.db2.gz IAVJUEWFKMDZRA-STQMWFEESA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@H]2CCCC[C@@H]2N1 ZINC000281734942 606942685 /nfs/dbraw/zinc/94/26/85/606942685.db2.gz IAVJUEWFKMDZRA-STQMWFEESA-N -1 3 396.860 0.952 20 0 GCADHM CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(-c2nnn[n-]2)c1CC ZINC000821529611 606943134 /nfs/dbraw/zinc/94/31/34/606943134.db2.gz XYOSVCLCBKZVRK-GFCCVEGCSA-N -1 3 385.432 0.254 20 0 GCADHM CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(-c2nn[n-]n2)c1CC ZINC000821529611 606943135 /nfs/dbraw/zinc/94/31/35/606943135.db2.gz XYOSVCLCBKZVRK-GFCCVEGCSA-N -1 3 385.432 0.254 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000823536008 606944054 /nfs/dbraw/zinc/94/40/54/606944054.db2.gz OTMFLYLXNGVSEV-UONOGXRCSA-N -1 3 376.442 0.440 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000823536008 606944055 /nfs/dbraw/zinc/94/40/55/606944055.db2.gz OTMFLYLXNGVSEV-UONOGXRCSA-N -1 3 376.442 0.440 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000821694223 606944538 /nfs/dbraw/zinc/94/45/38/606944538.db2.gz CXNAWJUMDHSXPE-UHFFFAOYSA-N -1 3 397.392 0.398 20 0 GCADHM O=C(Cn1ncn2nccc2c1=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823136409 606950698 /nfs/dbraw/zinc/95/06/98/606950698.db2.gz ZGPTZGKKLPMPOH-UHFFFAOYSA-N -1 3 396.367 0.083 20 0 GCADHM O=C(Cn1ncn2nccc2c1=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823136409 606950701 /nfs/dbraw/zinc/95/07/01/606950701.db2.gz ZGPTZGKKLPMPOH-UHFFFAOYSA-N -1 3 396.367 0.083 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000820315875 606964394 /nfs/dbraw/zinc/96/43/94/606964394.db2.gz QICXHOUKQMNAFY-MRVPVSSYSA-N -1 3 378.364 0.791 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000820315875 606964396 /nfs/dbraw/zinc/96/43/96/606964396.db2.gz QICXHOUKQMNAFY-MRVPVSSYSA-N -1 3 378.364 0.791 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000821756757 606964858 /nfs/dbraw/zinc/96/48/58/606964858.db2.gz RLRKXLYURXMEDW-SECBINFHSA-N -1 3 390.400 0.660 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000821756757 606964859 /nfs/dbraw/zinc/96/48/59/606964859.db2.gz RLRKXLYURXMEDW-SECBINFHSA-N -1 3 390.400 0.660 20 0 GCADHM CC(C)S(=O)(=O)CCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820178169 606965190 /nfs/dbraw/zinc/96/51/90/606965190.db2.gz IZFMPPQTLFJXIT-UHFFFAOYSA-N -1 3 379.490 0.597 20 0 GCADHM CC(C)S(=O)(=O)CCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820178169 606965192 /nfs/dbraw/zinc/96/51/92/606965192.db2.gz IZFMPPQTLFJXIT-UHFFFAOYSA-N -1 3 379.490 0.597 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000819796642 606965462 /nfs/dbraw/zinc/96/54/62/606965462.db2.gz MRLJVGLOVCGDGL-GUYCJALGSA-N -1 3 383.456 0.915 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000823358632 606965515 /nfs/dbraw/zinc/96/55/15/606965515.db2.gz CWOGPTHUUBCKPW-JKSUJKDBSA-N -1 3 399.455 0.565 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000823358632 606965516 /nfs/dbraw/zinc/96/55/16/606965516.db2.gz CWOGPTHUUBCKPW-JKSUJKDBSA-N -1 3 399.455 0.565 20 0 GCADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821920212 606965652 /nfs/dbraw/zinc/96/56/52/606965652.db2.gz NTBREYSHYANKHS-JTQLQIEISA-N -1 3 389.409 0.705 20 0 GCADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821920212 606965654 /nfs/dbraw/zinc/96/56/54/606965654.db2.gz NTBREYSHYANKHS-JTQLQIEISA-N -1 3 389.409 0.705 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCCCC1 ZINC000820444563 606976437 /nfs/dbraw/zinc/97/64/37/606976437.db2.gz KQEGCLZOCHCLDF-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCCCC1 ZINC000820444563 606976438 /nfs/dbraw/zinc/97/64/38/606976438.db2.gz KQEGCLZOCHCLDF-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccn1 ZINC000820443949 606976551 /nfs/dbraw/zinc/97/65/51/606976551.db2.gz BVAOZIDPIBAVRR-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccn1 ZINC000820443949 606976553 /nfs/dbraw/zinc/97/65/53/606976553.db2.gz BVAOZIDPIBAVRR-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccnc1 ZINC000820445181 606976600 /nfs/dbraw/zinc/97/66/00/606976600.db2.gz OHPZWHHYJJDUEX-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccnc1 ZINC000820445181 606976602 /nfs/dbraw/zinc/97/66/02/606976602.db2.gz OHPZWHHYJJDUEX-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H](C)C1 ZINC000820704985 606976972 /nfs/dbraw/zinc/97/69/72/606976972.db2.gz RDVPFITXWCABIT-NEPJUHHUSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](C)C1 ZINC000820704985 606976974 /nfs/dbraw/zinc/97/69/74/606976974.db2.gz RDVPFITXWCABIT-NEPJUHHUSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](C)C1 ZINC000820705218 606977004 /nfs/dbraw/zinc/97/70/04/606977004.db2.gz SCSSHYJQDCHKCF-NWDGAFQWSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](C)C1 ZINC000820705218 606977006 /nfs/dbraw/zinc/97/70/06/606977006.db2.gz SCSSHYJQDCHKCF-NWDGAFQWSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000820734389 606977037 /nfs/dbraw/zinc/97/70/37/606977037.db2.gz MLUUJWMWEIHUNY-IJLUTSLNSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000820734389 606977039 /nfs/dbraw/zinc/97/70/39/606977039.db2.gz MLUUJWMWEIHUNY-IJLUTSLNSA-N -1 3 394.457 0.169 20 0 GCADHM CCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821378126 606979069 /nfs/dbraw/zinc/97/90/69/606979069.db2.gz JDMVTPXCRWKIOU-NSHDSACASA-N -1 3 382.446 0.076 20 0 GCADHM CCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821378126 606979071 /nfs/dbraw/zinc/97/90/71/606979071.db2.gz JDMVTPXCRWKIOU-NSHDSACASA-N -1 3 382.446 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccco1 ZINC000820438795 606981449 /nfs/dbraw/zinc/98/14/49/606981449.db2.gz WTHJBOQETJJBRZ-NSHDSACASA-N -1 3 390.425 0.785 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccco1 ZINC000820438795 606981451 /nfs/dbraw/zinc/98/14/51/606981451.db2.gz WTHJBOQETJJBRZ-NSHDSACASA-N -1 3 390.425 0.785 20 0 GCADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCc1nc(N)nc(N)n1 ZINC000821699692 606982896 /nfs/dbraw/zinc/98/28/96/606982896.db2.gz ZUCAFSMWWBSHFY-UHFFFAOYSA-N -1 3 394.193 0.566 20 0 GCADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCc1nc(N)nc(N)n1 ZINC000821699692 606982897 /nfs/dbraw/zinc/98/28/97/606982897.db2.gz ZUCAFSMWWBSHFY-UHFFFAOYSA-N -1 3 394.193 0.566 20 0 GCADHM COCCc1noc(CN(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000821694262 606983755 /nfs/dbraw/zinc/98/37/55/606983755.db2.gz FDGMGYIBMQYBCE-CQSZACIVSA-N -1 3 398.427 0.676 20 0 GCADHM COCCc1noc(CN(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000821694262 606983756 /nfs/dbraw/zinc/98/37/56/606983756.db2.gz FDGMGYIBMQYBCE-CQSZACIVSA-N -1 3 398.427 0.676 20 0 GCADHM COCCc1noc(CN(C)CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821694673 606983861 /nfs/dbraw/zinc/98/38/61/606983861.db2.gz XLFANQFXLKGDKR-UHFFFAOYSA-N -1 3 386.416 0.899 20 0 GCADHM COCCc1noc(CN(C)CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821694673 606983862 /nfs/dbraw/zinc/98/38/62/606983862.db2.gz XLFANQFXLKGDKR-UHFFFAOYSA-N -1 3 386.416 0.899 20 0 GCADHM COCCc1noc(CN(C)[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821694341 606983876 /nfs/dbraw/zinc/98/38/76/606983876.db2.gz JBADQVKZQOIVBJ-HNNXBMFYSA-N -1 3 387.400 0.785 20 0 GCADHM COCCc1noc(CN(C)[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821694341 606983877 /nfs/dbraw/zinc/98/38/77/606983877.db2.gz JBADQVKZQOIVBJ-HNNXBMFYSA-N -1 3 387.400 0.785 20 0 GCADHM COCCc1noc(CN(C)[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000821694501 606984080 /nfs/dbraw/zinc/98/40/80/606984080.db2.gz PSMKMTLJHMDGHE-LLVKDONJSA-N -1 3 386.416 0.898 20 0 GCADHM COCCc1noc(CN(C)[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000821694501 606984082 /nfs/dbraw/zinc/98/40/82/606984082.db2.gz PSMKMTLJHMDGHE-LLVKDONJSA-N -1 3 386.416 0.898 20 0 GCADHM O=C(CCN1CC(=O)N[C@@H]2CCCC[C@@H]21)Nc1sccc1-c1nnn[n-]1 ZINC000822963868 606984572 /nfs/dbraw/zinc/98/45/72/606984572.db2.gz ACJOYOXELZPSOG-NEPJUHHUSA-N -1 3 375.458 1.000 20 0 GCADHM O=C(CCN1CC(=O)N[C@@H]2CCCC[C@@H]21)Nc1sccc1-c1nn[n-]n1 ZINC000822963868 606984573 /nfs/dbraw/zinc/98/45/73/606984573.db2.gz ACJOYOXELZPSOG-NEPJUHHUSA-N -1 3 375.458 1.000 20 0 GCADHM COCCc1noc(CN(C)C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821694384 606987399 /nfs/dbraw/zinc/98/73/99/606987399.db2.gz KWTYHJGIUCJYBU-LLVKDONJSA-N -1 3 387.400 0.865 20 0 GCADHM COCCc1noc(CN(C)C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000821694444 606987698 /nfs/dbraw/zinc/98/76/98/606987698.db2.gz NGQCSKPGRJHJNN-UHFFFAOYSA-N -1 3 379.327 0.989 20 0 GCADHM COCCc1noc(CN(C)C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000821694444 606987701 /nfs/dbraw/zinc/98/77/01/606987701.db2.gz NGQCSKPGRJHJNN-UHFFFAOYSA-N -1 3 379.327 0.989 20 0 GCADHM O=C(Cc1csc2nccn12)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823118842 606988205 /nfs/dbraw/zinc/98/82/05/606988205.db2.gz SHKFCJLPXFNEPQ-UHFFFAOYSA-N -1 3 395.452 0.862 20 0 GCADHM O=C(Cc1csc2nccn12)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823118842 606988207 /nfs/dbraw/zinc/98/82/07/606988207.db2.gz SHKFCJLPXFNEPQ-UHFFFAOYSA-N -1 3 395.452 0.862 20 0 GCADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C1CCOCC1 ZINC000481779926 606991273 /nfs/dbraw/zinc/99/12/73/606991273.db2.gz AXJLZOBYMBVHPJ-LLVKDONJSA-N -1 3 379.442 0.465 20 0 GCADHM CN1CC(=O)N(CCCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC000821620723 606991668 /nfs/dbraw/zinc/99/16/68/606991668.db2.gz SWAVMRGXGSPYLQ-UHFFFAOYSA-N -1 3 376.348 0.723 20 0 GCADHM CN1CC(=O)N(CCCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC000821620723 606991669 /nfs/dbraw/zinc/99/16/69/606991669.db2.gz SWAVMRGXGSPYLQ-UHFFFAOYSA-N -1 3 376.348 0.723 20 0 GCADHM Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822685139 606991976 /nfs/dbraw/zinc/99/19/76/606991976.db2.gz SUAFMLISKZZZJC-UHFFFAOYSA-N -1 3 380.361 0.349 20 0 GCADHM Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822685139 606991977 /nfs/dbraw/zinc/99/19/77/606991977.db2.gz SUAFMLISKZZZJC-UHFFFAOYSA-N -1 3 380.361 0.349 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822242724 606992466 /nfs/dbraw/zinc/99/24/66/606992466.db2.gz VRKDGDFCDULNST-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822242724 606992467 /nfs/dbraw/zinc/99/24/67/606992467.db2.gz VRKDGDFCDULNST-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOC(C)(C)C1 ZINC000820443992 606995082 /nfs/dbraw/zinc/99/50/82/606995082.db2.gz CUCFYJXXQUVUKX-NSHDSACASA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOC(C)(C)C1 ZINC000820443992 606995084 /nfs/dbraw/zinc/99/50/84/606995084.db2.gz CUCFYJXXQUVUKX-NSHDSACASA-N -1 3 394.457 0.171 20 0 GCADHM CCn1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821565075 606995776 /nfs/dbraw/zinc/99/57/76/606995776.db2.gz CLEDADYVMPYGJH-SNVBAGLBSA-N -1 3 390.429 0.389 20 0 GCADHM CCn1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821565075 606995778 /nfs/dbraw/zinc/99/57/78/606995778.db2.gz CLEDADYVMPYGJH-SNVBAGLBSA-N -1 3 390.429 0.389 20 0 GCADHM O=C(N[C@H](CO)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823139265 606996205 /nfs/dbraw/zinc/99/62/05/606996205.db2.gz AXYOIFLBKATZGI-OAHLLOKOSA-N -1 3 385.355 0.840 20 0 GCADHM O=C(N[C@H](CO)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823139265 606996207 /nfs/dbraw/zinc/99/62/07/606996207.db2.gz AXYOIFLBKATZGI-OAHLLOKOSA-N -1 3 385.355 0.840 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000819991678 606997624 /nfs/dbraw/zinc/99/76/24/606997624.db2.gz KHPLWTBABYJQTJ-GFCCVEGCSA-N -1 3 387.444 0.931 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000819991678 606997625 /nfs/dbraw/zinc/99/76/25/606997625.db2.gz KHPLWTBABYJQTJ-GFCCVEGCSA-N -1 3 387.444 0.931 20 0 GCADHM COCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821686884 606998687 /nfs/dbraw/zinc/99/86/87/606998687.db2.gz DEVHMYIHDFNZMV-LLVKDONJSA-N -1 3 382.446 0.076 20 0 GCADHM COCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821686884 606998689 /nfs/dbraw/zinc/99/86/89/606998689.db2.gz DEVHMYIHDFNZMV-LLVKDONJSA-N -1 3 382.446 0.076 20 0 GCADHM Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822324072 606998723 /nfs/dbraw/zinc/99/87/23/606998723.db2.gz UGKZKUVYLHPXCN-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822324072 606998725 /nfs/dbraw/zinc/99/87/25/606998725.db2.gz UGKZKUVYLHPXCN-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822414742 606998774 /nfs/dbraw/zinc/99/87/74/606998774.db2.gz RWPPSTJRTJPFRV-SNVBAGLBSA-N -1 3 390.429 0.512 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822414742 606998775 /nfs/dbraw/zinc/99/87/75/606998775.db2.gz RWPPSTJRTJPFRV-SNVBAGLBSA-N -1 3 390.429 0.512 20 0 GCADHM Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822323877 606998855 /nfs/dbraw/zinc/99/88/55/606998855.db2.gz PWSRTCBAZFETST-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822323877 606998856 /nfs/dbraw/zinc/99/88/56/606998856.db2.gz PWSRTCBAZFETST-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CC(F)(F)F ZINC000820444858 607000216 /nfs/dbraw/zinc/00/02/16/607000216.db2.gz MTJHVAYFNIPVFT-QMMMGPOBSA-N -1 3 392.363 0.554 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CC(F)(F)F ZINC000820444858 607000218 /nfs/dbraw/zinc/00/02/18/607000218.db2.gz MTJHVAYFNIPVFT-QMMMGPOBSA-N -1 3 392.363 0.554 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCCCO1 ZINC000820446015 607001788 /nfs/dbraw/zinc/00/17/88/607001788.db2.gz SXRSXURJKYXACK-DGCLKSJQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCCO1 ZINC000820446015 607001789 /nfs/dbraw/zinc/00/17/89/607001789.db2.gz SXRSXURJKYXACK-DGCLKSJQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H]1OCCN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)[C@H]1C ZINC000820819780 607001977 /nfs/dbraw/zinc/00/19/77/607001977.db2.gz KOUUESREOPPJRE-STQMWFEESA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1OCCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)[C@H]1C ZINC000820819780 607001979 /nfs/dbraw/zinc/00/19/79/607001979.db2.gz KOUUESREOPPJRE-STQMWFEESA-N -1 3 385.428 0.698 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCCCO1 ZINC000820446013 607002132 /nfs/dbraw/zinc/00/21/32/607002132.db2.gz SXRSXURJKYXACK-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCCO1 ZINC000820446013 607002134 /nfs/dbraw/zinc/00/21/34/607002134.db2.gz SXRSXURJKYXACK-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822491949 607003492 /nfs/dbraw/zinc/00/34/92/607003492.db2.gz KSIWYHIFQUNFFZ-HNNXBMFYSA-N -1 3 385.384 0.366 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822491949 607003494 /nfs/dbraw/zinc/00/34/94/607003494.db2.gz KSIWYHIFQUNFFZ-HNNXBMFYSA-N -1 3 385.384 0.366 20 0 GCADHM CCCN(C)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821088590 607003561 /nfs/dbraw/zinc/00/35/61/607003561.db2.gz PDPGAWQWVZBFCM-UHFFFAOYSA-N -1 3 383.453 0.714 20 0 GCADHM CCCN(C)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821088590 607003563 /nfs/dbraw/zinc/00/35/63/607003563.db2.gz PDPGAWQWVZBFCM-UHFFFAOYSA-N -1 3 383.453 0.714 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821641275 607007737 /nfs/dbraw/zinc/00/77/37/607007737.db2.gz ZGLIMGSHKVHONJ-ZDUSSCGKSA-N -1 3 397.457 0.762 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821641275 607007739 /nfs/dbraw/zinc/00/77/39/607007739.db2.gz ZGLIMGSHKVHONJ-ZDUSSCGKSA-N -1 3 397.457 0.762 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821640375 607008132 /nfs/dbraw/zinc/00/81/32/607008132.db2.gz HMOXTEZSNQABLC-AWEZNQCLSA-N -1 3 397.457 0.595 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821640375 607008134 /nfs/dbraw/zinc/00/81/34/607008134.db2.gz HMOXTEZSNQABLC-AWEZNQCLSA-N -1 3 397.457 0.595 20 0 GCADHM COCCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821686997 607009462 /nfs/dbraw/zinc/00/94/62/607009462.db2.gz IYUVVOJSZINIHT-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM COCCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821686997 607009463 /nfs/dbraw/zinc/00/94/63/607009463.db2.gz IYUVVOJSZINIHT-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM CCCCOCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821073223 607010806 /nfs/dbraw/zinc/01/08/06/607010806.db2.gz YFQLGAOWASBEOO-LBPRGKRZSA-N -1 3 396.473 0.466 20 0 GCADHM CCCCOCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821073223 607010808 /nfs/dbraw/zinc/01/08/08/607010808.db2.gz YFQLGAOWASBEOO-LBPRGKRZSA-N -1 3 396.473 0.466 20 0 GCADHM Cc1noc(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822523813 607011707 /nfs/dbraw/zinc/01/17/07/607011707.db2.gz VIVXINVTHMXMBX-SECBINFHSA-N -1 3 391.413 0.777 20 0 GCADHM Cc1noc(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822523813 607011709 /nfs/dbraw/zinc/01/17/09/607011709.db2.gz VIVXINVTHMXMBX-SECBINFHSA-N -1 3 391.413 0.777 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCN1CCCS1(=O)=O ZINC000819997115 607016508 /nfs/dbraw/zinc/01/65/08/607016508.db2.gz QVHSQIWRFOOUKS-UHFFFAOYSA-N -1 3 394.457 0.176 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1CCCS1(=O)=O ZINC000819997115 607016510 /nfs/dbraw/zinc/01/65/10/607016510.db2.gz QVHSQIWRFOOUKS-UHFFFAOYSA-N -1 3 394.457 0.176 20 0 GCADHM COCCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821687011 607016813 /nfs/dbraw/zinc/01/68/13/607016813.db2.gz JPILWNNEEXQOIE-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM COCCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821687011 607016814 /nfs/dbraw/zinc/01/68/14/607016814.db2.gz JPILWNNEEXQOIE-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821442434 607017073 /nfs/dbraw/zinc/01/70/73/607017073.db2.gz SFOMSBBEVAYSQB-UHFFFAOYSA-N -1 3 396.473 0.470 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821442434 607017076 /nfs/dbraw/zinc/01/70/76/607017076.db2.gz SFOMSBBEVAYSQB-UHFFFAOYSA-N -1 3 396.473 0.470 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000823331485 607019569 /nfs/dbraw/zinc/01/95/69/607019569.db2.gz DORRNNZGMBOKSV-SNVBAGLBSA-N -1 3 386.803 0.855 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000823331485 607019571 /nfs/dbraw/zinc/01/95/71/607019571.db2.gz DORRNNZGMBOKSV-SNVBAGLBSA-N -1 3 386.803 0.855 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821656089 607021511 /nfs/dbraw/zinc/02/15/11/607021511.db2.gz XMUCDCYSAMPEAK-CYBMUJFWSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821656089 607021512 /nfs/dbraw/zinc/02/15/12/607021512.db2.gz XMUCDCYSAMPEAK-CYBMUJFWSA-N -1 3 375.385 0.425 20 0 GCADHM CCOCCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821377845 607022992 /nfs/dbraw/zinc/02/29/92/607022992.db2.gz GCGCGKKUWAWNFL-LBPRGKRZSA-N -1 3 396.473 0.419 20 0 GCADHM CCOCCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821377845 607022995 /nfs/dbraw/zinc/02/29/95/607022995.db2.gz GCGCGKKUWAWNFL-LBPRGKRZSA-N -1 3 396.473 0.419 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CC1(C)C ZINC000820451046 607025788 /nfs/dbraw/zinc/02/57/88/607025788.db2.gz RORLFFZEJPYOFK-CMPLNLGQSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CC1(C)C ZINC000820451046 607025790 /nfs/dbraw/zinc/02/57/90/607025790.db2.gz RORLFFZEJPYOFK-CMPLNLGQSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CC1(C)C ZINC000820451048 607026034 /nfs/dbraw/zinc/02/60/34/607026034.db2.gz RORLFFZEJPYOFK-PWSUYJOCSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CC1(C)C ZINC000820451048 607026036 /nfs/dbraw/zinc/02/60/36/607026036.db2.gz RORLFFZEJPYOFK-PWSUYJOCSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@]1([C@H]2CCCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)NC(=O)NC1=O ZINC000820612944 607028798 /nfs/dbraw/zinc/02/87/98/607028798.db2.gz OICMFEGWSVCTFK-XXFAHNHDSA-N -1 3 377.355 0.959 20 0 GCADHM C[C@]1([C@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)NC(=O)NC1=O ZINC000820612944 607028800 /nfs/dbraw/zinc/02/88/00/607028800.db2.gz OICMFEGWSVCTFK-XXFAHNHDSA-N -1 3 377.355 0.959 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000823162031 607033868 /nfs/dbraw/zinc/03/38/68/607033868.db2.gz SCWUVOCQVZKHOF-BEFAXECRSA-N -1 3 384.440 0.750 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000823162031 607033870 /nfs/dbraw/zinc/03/38/70/607033870.db2.gz SCWUVOCQVZKHOF-BEFAXECRSA-N -1 3 384.440 0.750 20 0 GCADHM CSC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821956178 607038399 /nfs/dbraw/zinc/03/83/99/607038399.db2.gz IZWBMVLQHUFBKZ-ZJUUUORDSA-N -1 3 384.487 0.401 20 0 GCADHM CSC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821956178 607038400 /nfs/dbraw/zinc/03/84/00/607038400.db2.gz IZWBMVLQHUFBKZ-ZJUUUORDSA-N -1 3 384.487 0.401 20 0 GCADHM C[C@@H](NC(=O)COc1ccc(Br)cc1-c1nnn[n-]1)C(=O)N(C)C ZINC000820327388 607042079 /nfs/dbraw/zinc/04/20/79/607042079.db2.gz GVNKPJAPLCEUDB-MRVPVSSYSA-N -1 3 397.233 0.601 20 0 GCADHM C[C@@H](NC(=O)COc1ccc(Br)cc1-c1nn[n-]n1)C(=O)N(C)C ZINC000820327388 607042080 /nfs/dbraw/zinc/04/20/80/607042080.db2.gz GVNKPJAPLCEUDB-MRVPVSSYSA-N -1 3 397.233 0.601 20 0 GCADHM CC(C)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438632 607042370 /nfs/dbraw/zinc/04/23/70/607042370.db2.gz TYGZYKUBLDYICC-NEPJUHHUSA-N -1 3 380.474 0.942 20 0 GCADHM CC(C)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438632 607042373 /nfs/dbraw/zinc/04/23/73/607042373.db2.gz TYGZYKUBLDYICC-NEPJUHHUSA-N -1 3 380.474 0.942 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccon1 ZINC000820438636 607042388 /nfs/dbraw/zinc/04/23/88/607042388.db2.gz TYZPSPPASYUPIJ-JTQLQIEISA-N -1 3 391.413 0.180 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccon1 ZINC000820438636 607042389 /nfs/dbraw/zinc/04/23/89/607042389.db2.gz TYZPSPPASYUPIJ-JTQLQIEISA-N -1 3 391.413 0.180 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1[C@H](C)COC[C@H]1C ZINC000820447476 607042634 /nfs/dbraw/zinc/04/26/34/607042634.db2.gz ZETLZQHCUVYQHN-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1[C@H](C)COC[C@H]1C ZINC000820447476 607042636 /nfs/dbraw/zinc/04/26/36/607042636.db2.gz ZETLZQHCUVYQHN-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821597747 607043019 /nfs/dbraw/zinc/04/30/19/607043019.db2.gz GKCQFHGGDZMXBW-GFCCVEGCSA-N -1 3 393.469 0.917 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821597747 607043020 /nfs/dbraw/zinc/04/30/20/607043020.db2.gz GKCQFHGGDZMXBW-GFCCVEGCSA-N -1 3 393.469 0.917 20 0 GCADHM Cc1nn(C)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822497055 607043534 /nfs/dbraw/zinc/04/35/34/607043534.db2.gz XEMOXCFJUSBERQ-SNVBAGLBSA-N -1 3 390.429 0.214 20 0 GCADHM Cc1nn(C)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822497055 607043536 /nfs/dbraw/zinc/04/35/36/607043536.db2.gz XEMOXCFJUSBERQ-SNVBAGLBSA-N -1 3 390.429 0.214 20 0 GCADHM COC[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821684661 607043581 /nfs/dbraw/zinc/04/35/81/607043581.db2.gz GWCCBMJEACPUHK-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM COC[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821684661 607043582 /nfs/dbraw/zinc/04/35/82/607043582.db2.gz GWCCBMJEACPUHK-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000820438225 607043995 /nfs/dbraw/zinc/04/39/95/607043995.db2.gz LAYNEBHIOKDABP-GVXVVHGQSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000820438225 607043996 /nfs/dbraw/zinc/04/39/96/607043996.db2.gz LAYNEBHIOKDABP-GVXVVHGQSA-N -1 3 394.457 0.075 20 0 GCADHM COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821682996 607044613 /nfs/dbraw/zinc/04/46/13/607044613.db2.gz SGURSGLYYHVWGZ-RISCZKNCSA-N -1 3 396.473 0.321 20 0 GCADHM COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821682996 607044614 /nfs/dbraw/zinc/04/46/14/607044614.db2.gz SGURSGLYYHVWGZ-RISCZKNCSA-N -1 3 396.473 0.321 20 0 GCADHM CNC(=O)C1(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CCC1 ZINC000821631929 607048070 /nfs/dbraw/zinc/04/80/70/607048070.db2.gz XZVMQIGRNVYGCG-UHFFFAOYSA-N -1 3 399.455 0.683 20 0 GCADHM CNC(=O)C1(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CCC1 ZINC000821631929 607048071 /nfs/dbraw/zinc/04/80/71/607048071.db2.gz XZVMQIGRNVYGCG-UHFFFAOYSA-N -1 3 399.455 0.683 20 0 GCADHM C[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)S(=O)(=O)C1CCOCC1 ZINC000819867600 607049021 /nfs/dbraw/zinc/04/90/21/607049021.db2.gz URANQQCDWAWDDT-SNVBAGLBSA-N -1 3 397.432 0.604 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCSC1 ZINC000820438709 607049623 /nfs/dbraw/zinc/04/96/23/607049623.db2.gz VGSIHONWVCOGET-ONGXEEELSA-N -1 3 382.471 0.155 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCSC1 ZINC000820438709 607049624 /nfs/dbraw/zinc/04/96/24/607049624.db2.gz VGSIHONWVCOGET-ONGXEEELSA-N -1 3 382.471 0.155 20 0 GCADHM COC(C)(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821672708 607049965 /nfs/dbraw/zinc/04/99/65/607049965.db2.gz VEUCLGWESZBSPP-JTQLQIEISA-N -1 3 382.446 0.075 20 0 GCADHM COC(C)(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821672708 607049967 /nfs/dbraw/zinc/04/99/67/607049967.db2.gz VEUCLGWESZBSPP-JTQLQIEISA-N -1 3 382.446 0.075 20 0 GCADHM COC(C)(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821672570 607050195 /nfs/dbraw/zinc/05/01/95/607050195.db2.gz PBOYTCNGKMIZSL-SNVBAGLBSA-N -1 3 382.446 0.075 20 0 GCADHM COC(C)(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821672570 607050196 /nfs/dbraw/zinc/05/01/96/607050196.db2.gz PBOYTCNGKMIZSL-SNVBAGLBSA-N -1 3 382.446 0.075 20 0 GCADHM CC(C)[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438320 607050816 /nfs/dbraw/zinc/05/08/16/607050816.db2.gz 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CC[C@H](O)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820931652 607051223 /nfs/dbraw/zinc/05/12/23/607051223.db2.gz IDPBRKOHQADIHP-AAEUAGOBSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@H](O)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820931652 607051224 /nfs/dbraw/zinc/05/12/24/607051224.db2.gz IDPBRKOHQADIHP-AAEUAGOBSA-N -1 3 396.473 0.201 20 0 GCADHM CCN(CC(C)(C)O)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821170015 607052843 /nfs/dbraw/zinc/05/28/43/607052843.db2.gz LNRDGKVNLQPBHN-LLVKDONJSA-N -1 3 396.473 0.153 20 0 GCADHM CCN(CC(C)(C)O)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821170015 607052844 /nfs/dbraw/zinc/05/28/44/607052844.db2.gz LNRDGKVNLQPBHN-LLVKDONJSA-N -1 3 396.473 0.153 20 0 GCADHM CO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821675018 607053405 /nfs/dbraw/zinc/05/34/05/607053405.db2.gz BFBPUQAHJVZRTC-SMDDNHRTSA-N -1 3 396.473 0.321 20 0 GCADHM CO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821675018 607053406 /nfs/dbraw/zinc/05/34/06/607053406.db2.gz BFBPUQAHJVZRTC-SMDDNHRTSA-N -1 3 396.473 0.321 20 0 GCADHM CC(C)N1C(=O)C[C@H](NC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820120375 607053775 /nfs/dbraw/zinc/05/37/75/607053775.db2.gz DOAHNYYBPYBNQG-ZDUSSCGKSA-N -1 3 386.412 0.676 20 0 GCADHM CC(C)N1C(=O)C[C@H](NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820120375 607053776 /nfs/dbraw/zinc/05/37/76/607053776.db2.gz DOAHNYYBPYBNQG-ZDUSSCGKSA-N -1 3 386.412 0.676 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000819996486 607053794 /nfs/dbraw/zinc/05/37/94/607053794.db2.gz FCDKRUGAKQUFDS-UHFFFAOYSA-N -1 3 393.469 0.965 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000819996486 607053796 /nfs/dbraw/zinc/05/37/96/607053796.db2.gz FCDKRUGAKQUFDS-UHFFFAOYSA-N -1 3 393.469 0.965 20 0 GCADHM CC(C)(CNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC000819997376 607054041 /nfs/dbraw/zinc/05/40/41/607054041.db2.gz UMFAPTRIIIJCPX-UHFFFAOYSA-N -1 3 381.458 0.964 20 0 GCADHM CC(C)(CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000819997376 607054043 /nfs/dbraw/zinc/05/40/43/607054043.db2.gz UMFAPTRIIIJCPX-UHFFFAOYSA-N -1 3 381.458 0.964 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCSC1 ZINC000820437820 607054142 /nfs/dbraw/zinc/05/41/42/607054142.db2.gz DFSVXNXQTMZOPT-PWSUYJOCSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCSC1 ZINC000820437820 607054143 /nfs/dbraw/zinc/05/41/43/607054143.db2.gz DFSVXNXQTMZOPT-PWSUYJOCSA-N -1 3 396.498 0.545 20 0 GCADHM CCC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820956532 607054672 /nfs/dbraw/zinc/05/46/72/607054672.db2.gz IYZLBLQYOADGEG-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM CCC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820956532 607054673 /nfs/dbraw/zinc/05/46/73/607054673.db2.gz IYZLBLQYOADGEG-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM Cc1cncc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000822399437 607055261 /nfs/dbraw/zinc/05/52/61/607055261.db2.gz HXUVDUBXTFZYIT-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cncc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822399437 607055263 /nfs/dbraw/zinc/05/52/63/607055263.db2.gz HXUVDUBXTFZYIT-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCC1CCC1 ZINC000820450640 607060921 /nfs/dbraw/zinc/06/09/21/607060921.db2.gz NVYQBLBQNBFEND-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCC1CCC1 ZINC000820450640 607060923 /nfs/dbraw/zinc/06/09/23/607060923.db2.gz NVYQBLBQNBFEND-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@]1(C)CCCO1 ZINC000820450557 607060969 /nfs/dbraw/zinc/06/09/69/607060969.db2.gz MMGMRYFRJHMCET-MEDUHNTESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@]1(C)CCCO1 ZINC000820450557 607060971 /nfs/dbraw/zinc/06/09/71/607060971.db2.gz MMGMRYFRJHMCET-MEDUHNTESA-N -1 3 394.457 0.219 20 0 GCADHM CC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820979171 607061115 /nfs/dbraw/zinc/06/11/15/607061115.db2.gz FXGWDYSIFPBBKW-NWDGAFQWSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820979171 607061117 /nfs/dbraw/zinc/06/11/17/607061117.db2.gz FXGWDYSIFPBBKW-NWDGAFQWSA-N -1 3 378.458 0.792 20 0 GCADHM NC(=O)c1cccnc1N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000822890441 607061440 /nfs/dbraw/zinc/06/14/40/607061440.db2.gz VCXPOISLOOYUDX-UHFFFAOYSA-N -1 3 382.403 0.822 20 0 GCADHM Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000822061249 607062449 /nfs/dbraw/zinc/06/24/49/607062449.db2.gz LEQWGXQWKMYVBF-SECBINFHSA-N -1 3 390.429 0.214 20 0 GCADHM Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000822061249 607062451 /nfs/dbraw/zinc/06/24/51/607062451.db2.gz LEQWGXQWKMYVBF-SECBINFHSA-N -1 3 390.429 0.214 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820861749 607063191 /nfs/dbraw/zinc/06/31/91/607063191.db2.gz NICJGUPGXAHXKI-MISXGVKJSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820861749 607063194 /nfs/dbraw/zinc/06/31/94/607063194.db2.gz NICJGUPGXAHXKI-MISXGVKJSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820995533 607063401 /nfs/dbraw/zinc/06/34/01/607063401.db2.gz TWPRVFPWSFHYTM-MWLCHTKSSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820995533 607063403 /nfs/dbraw/zinc/06/34/03/607063403.db2.gz TWPRVFPWSFHYTM-MWLCHTKSSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820994123 607063527 /nfs/dbraw/zinc/06/35/27/607063527.db2.gz DWJHQFUJJCEGOF-FZMZJTMJSA-N -1 3 378.458 0.657 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820994123 607063529 /nfs/dbraw/zinc/06/35/29/607063529.db2.gz DWJHQFUJJCEGOF-FZMZJTMJSA-N -1 3 378.458 0.657 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820994124 607063565 /nfs/dbraw/zinc/06/35/65/607063565.db2.gz DWJHQFUJJCEGOF-RISCZKNCSA-N -1 3 378.458 0.657 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820994124 607063567 /nfs/dbraw/zinc/06/35/67/607063567.db2.gz DWJHQFUJJCEGOF-RISCZKNCSA-N -1 3 378.458 0.657 20 0 GCADHM Cc1ncsc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822482586 607063994 /nfs/dbraw/zinc/06/39/94/607063994.db2.gz XFTSCQHVKVQOSG-MRVPVSSYSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1ncsc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822482586 607063996 /nfs/dbraw/zinc/06/39/96/607063996.db2.gz XFTSCQHVKVQOSG-MRVPVSSYSA-N -1 3 393.454 0.937 20 0 GCADHM O=C(NCCS(=O)(=O)CC1CC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823218956 607064491 /nfs/dbraw/zinc/06/44/91/607064491.db2.gz CIABQDDWGVVOPC-UHFFFAOYSA-N -1 3 382.421 0.630 20 0 GCADHM O=C(NCCS(=O)(=O)CC1CC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823218956 607064494 /nfs/dbraw/zinc/06/44/94/607064494.db2.gz CIABQDDWGVVOPC-UHFFFAOYSA-N -1 3 382.421 0.630 20 0 GCADHM O=c1ccccn1CCN1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000823665468 607064781 /nfs/dbraw/zinc/06/47/81/607064781.db2.gz LFZMALFZZCDERN-UHFFFAOYSA-N -1 3 383.431 0.985 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCCS1(=O)=O ZINC000821412819 607066141 /nfs/dbraw/zinc/06/61/41/607066141.db2.gz RUUZHRXKPGFTGI-LLVKDONJSA-N -1 3 380.430 0.964 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCCS1(=O)=O ZINC000821412819 607066143 /nfs/dbraw/zinc/06/61/43/607066143.db2.gz RUUZHRXKPGFTGI-LLVKDONJSA-N -1 3 380.430 0.964 20 0 GCADHM CC1(C)NC(=O)N(CCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1=O ZINC000820607264 607075482 /nfs/dbraw/zinc/07/54/82/607075482.db2.gz OEXKBTJRSITXLW-UHFFFAOYSA-N -1 3 376.348 0.770 20 0 GCADHM CC1(C)NC(=O)N(CCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1=O ZINC000820607264 607075483 /nfs/dbraw/zinc/07/54/83/607075483.db2.gz OEXKBTJRSITXLW-UHFFFAOYSA-N -1 3 376.348 0.770 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823136139 607076847 /nfs/dbraw/zinc/07/68/47/607076847.db2.gz LRUMKJJTDLHULC-UHFFFAOYSA-N -1 3 381.327 0.854 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000823136139 607076850 /nfs/dbraw/zinc/07/68/50/607076850.db2.gz LRUMKJJTDLHULC-UHFFFAOYSA-N -1 3 381.327 0.854 20 0 GCADHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821588509 607077190 /nfs/dbraw/zinc/07/71/90/607077190.db2.gz WLUOHQKYBMGIBT-UHFFFAOYSA-N -1 3 394.388 0.941 20 0 GCADHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821588509 607077191 /nfs/dbraw/zinc/07/71/91/607077191.db2.gz WLUOHQKYBMGIBT-UHFFFAOYSA-N -1 3 394.388 0.941 20 0 GCADHM Nc1nsc(N2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000822912315 607077772 /nfs/dbraw/zinc/07/77/72/607077772.db2.gz VUGRCAUSNHNQGC-UHFFFAOYSA-N -1 3 386.445 0.061 20 0 GCADHM Nc1nsc(N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822912315 607077773 /nfs/dbraw/zinc/07/77/73/607077773.db2.gz VUGRCAUSNHNQGC-UHFFFAOYSA-N -1 3 386.445 0.061 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCCO1 ZINC000820445868 607079389 /nfs/dbraw/zinc/07/93/89/607079389.db2.gz RHTGIPLZWKGANT-JQWIXIFHSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCCO1 ZINC000820445868 607079390 /nfs/dbraw/zinc/07/93/90/607079390.db2.gz RHTGIPLZWKGANT-JQWIXIFHSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccccn1 ZINC000820451602 607079475 /nfs/dbraw/zinc/07/94/75/607079475.db2.gz WBZSIBHUYZZHFW-LLVKDONJSA-N -1 3 388.409 0.672 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccccn1 ZINC000820451602 607079476 /nfs/dbraw/zinc/07/94/76/607079476.db2.gz WBZSIBHUYZZHFW-LLVKDONJSA-N -1 3 388.409 0.672 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCCO1 ZINC000820445859 607079522 /nfs/dbraw/zinc/07/95/22/607079522.db2.gz RHTGIPLZWKGANT-CMPLNLGQSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCCO1 ZINC000820445859 607079524 /nfs/dbraw/zinc/07/95/24/607079524.db2.gz RHTGIPLZWKGANT-CMPLNLGQSA-N -1 3 381.414 0.256 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821696444 607079957 /nfs/dbraw/zinc/07/99/57/607079957.db2.gz DBQNRCCPTXHLTH-ZDUSSCGKSA-N -1 3 394.457 0.503 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821696444 607079958 /nfs/dbraw/zinc/07/99/58/607079958.db2.gz DBQNRCCPTXHLTH-ZDUSSCGKSA-N -1 3 394.457 0.503 20 0 GCADHM CCSCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821461590 607079980 /nfs/dbraw/zinc/07/99/80/607079980.db2.gz QXDGDUKVRKGHGX-JTQLQIEISA-N -1 3 385.471 0.830 20 0 GCADHM CCSCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821461590 607079981 /nfs/dbraw/zinc/07/99/81/607079981.db2.gz QXDGDUKVRKGHGX-JTQLQIEISA-N -1 3 385.471 0.830 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCCOC1 ZINC000820443909 607080385 /nfs/dbraw/zinc/08/03/85/607080385.db2.gz AUIYSWTYEPTDNH-NEPJUHHUSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCCOC1 ZINC000820443909 607080386 /nfs/dbraw/zinc/08/03/86/607080386.db2.gz AUIYSWTYEPTDNH-NEPJUHHUSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCSC1 ZINC000820446937 607082872 /nfs/dbraw/zinc/08/28/72/607082872.db2.gz XSXWTMOFDCVGEW-GXSJLCMTSA-N -1 3 383.455 0.582 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCSC1 ZINC000820446937 607082874 /nfs/dbraw/zinc/08/28/74/607082874.db2.gz XSXWTMOFDCVGEW-GXSJLCMTSA-N -1 3 383.455 0.582 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1(C)COC1 ZINC000820450984 607082903 /nfs/dbraw/zinc/08/29/03/607082903.db2.gz QKHOFJNBGUZKEJ-JTQLQIEISA-N -1 3 381.414 0.113 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1(C)COC1 ZINC000820450984 607082904 /nfs/dbraw/zinc/08/29/04/607082904.db2.gz QKHOFJNBGUZKEJ-JTQLQIEISA-N -1 3 381.414 0.113 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(=O)n(C)c1 ZINC000822207439 607083219 /nfs/dbraw/zinc/08/32/19/607083219.db2.gz WISFLZSGDQUHIS-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(=O)n(C)c1 ZINC000822207439 607083221 /nfs/dbraw/zinc/08/32/21/607083221.db2.gz WISFLZSGDQUHIS-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000820032151 607083674 /nfs/dbraw/zinc/08/36/74/607083674.db2.gz LSHBLGMGJAPKDM-IUODEOHRSA-N -1 3 393.469 0.964 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000820032151 607083675 /nfs/dbraw/zinc/08/36/75/607083675.db2.gz LSHBLGMGJAPKDM-IUODEOHRSA-N -1 3 393.469 0.964 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)N1CCOCC1 ZINC000820001565 607083692 /nfs/dbraw/zinc/08/36/92/607083692.db2.gz SKHFGLYTMPFESG-UHFFFAOYSA-N -1 3 375.385 0.426 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)N1CCOCC1 ZINC000820001565 607083694 /nfs/dbraw/zinc/08/36/94/607083694.db2.gz SKHFGLYTMPFESG-UHFFFAOYSA-N -1 3 375.385 0.426 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820467507 607085780 /nfs/dbraw/zinc/08/57/80/607085780.db2.gz ISAODYPNLPPECT-RNCFNFMXSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820467507 607085781 /nfs/dbraw/zinc/08/57/81/607085781.db2.gz ISAODYPNLPPECT-RNCFNFMXSA-N -1 3 379.392 0.961 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000819996872 607089115 /nfs/dbraw/zinc/08/91/15/607089115.db2.gz LTSKMYDQGMUWBE-ZDUSSCGKSA-N -1 3 379.442 0.718 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000819996872 607089116 /nfs/dbraw/zinc/08/91/16/607089116.db2.gz LTSKMYDQGMUWBE-ZDUSSCGKSA-N -1 3 379.442 0.718 20 0 GCADHM O=C(NC[C@@H]1CCCS1(=O)=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823175210 607090091 /nfs/dbraw/zinc/09/00/91/607090091.db2.gz BZYDADGPCRLUIL-GJZGRUSLSA-N -1 3 390.469 0.529 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC[C@@H]1CCCO1 ZINC000820447549 607090749 /nfs/dbraw/zinc/09/07/49/607090749.db2.gz ZPCXZZBCUOUAKZ-AAEUAGOBSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC[C@@H]1CCCO1 ZINC000820447549 607090750 /nfs/dbraw/zinc/09/07/50/607090750.db2.gz ZPCXZZBCUOUAKZ-AAEUAGOBSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCCS1 ZINC000820450442 607090783 /nfs/dbraw/zinc/09/07/83/607090783.db2.gz KTJXAJXSSVHYSU-CMPLNLGQSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCCS1 ZINC000820450442 607090784 /nfs/dbraw/zinc/09/07/84/607090784.db2.gz KTJXAJXSSVHYSU-CMPLNLGQSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCCS1 ZINC000820444854 607090856 /nfs/dbraw/zinc/09/08/56/607090856.db2.gz MNSDOQQKVGHSTB-JQWIXIFHSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCCS1 ZINC000820444854 607090858 /nfs/dbraw/zinc/09/08/58/607090858.db2.gz MNSDOQQKVGHSTB-JQWIXIFHSA-N -1 3 397.482 0.972 20 0 GCADHM CCOCCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821378872 607091377 /nfs/dbraw/zinc/09/13/77/607091377.db2.gz VRMRROUFJTWSIF-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM CCOCCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821378872 607091378 /nfs/dbraw/zinc/09/13/78/607091378.db2.gz VRMRROUFJTWSIF-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM CO[C@@H](C)CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821673954 607091441 /nfs/dbraw/zinc/09/14/41/607091441.db2.gz PFVUJRZLQXCHRD-QWRGUYRKSA-N -1 3 383.430 0.502 20 0 GCADHM CO[C@@H](C)CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821673954 607091443 /nfs/dbraw/zinc/09/14/43/607091443.db2.gz PFVUJRZLQXCHRD-QWRGUYRKSA-N -1 3 383.430 0.502 20 0 GCADHM CO[C@H](C)CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821673475 607091584 /nfs/dbraw/zinc/09/15/84/607091584.db2.gz CHWUESTWDDHAFK-GHMZBOCLSA-N -1 3 383.430 0.502 20 0 GCADHM CO[C@H](C)CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821673475 607091586 /nfs/dbraw/zinc/09/15/86/607091586.db2.gz CHWUESTWDDHAFK-GHMZBOCLSA-N -1 3 383.430 0.502 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCSC1 ZINC000820446011 607091898 /nfs/dbraw/zinc/09/18/98/607091898.db2.gz SWNSSJRSXPQEGJ-WDEREUQCSA-N -1 3 397.482 0.830 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCSC1 ZINC000820446011 607091899 /nfs/dbraw/zinc/09/18/99/607091899.db2.gz SWNSSJRSXPQEGJ-WDEREUQCSA-N -1 3 397.482 0.830 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(=O)n(C)c1 ZINC000822206854 607093506 /nfs/dbraw/zinc/09/35/06/607093506.db2.gz BFKNCLKOAOFAPE-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c(=O)n(C)c1 ZINC000822206854 607093507 /nfs/dbraw/zinc/09/35/07/607093507.db2.gz BFKNCLKOAOFAPE-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821139070 607094105 /nfs/dbraw/zinc/09/41/05/607094105.db2.gz MZCJQNKTSUVGAK-CYBMUJFWSA-N -1 3 387.448 0.184 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821139070 607094106 /nfs/dbraw/zinc/09/41/06/607094106.db2.gz MZCJQNKTSUVGAK-CYBMUJFWSA-N -1 3 387.448 0.184 20 0 GCADHM COC(=O)c1cc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1C ZINC000821667854 607094118 /nfs/dbraw/zinc/09/41/18/607094118.db2.gz DAFSJFYRCFCGNX-UHFFFAOYSA-N -1 3 385.388 0.620 20 0 GCADHM COC(=O)c1cc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1C ZINC000821667854 607094120 /nfs/dbraw/zinc/09/41/20/607094120.db2.gz DAFSJFYRCFCGNX-UHFFFAOYSA-N -1 3 385.388 0.620 20 0 GCADHM Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000822373844 607095396 /nfs/dbraw/zinc/09/53/96/607095396.db2.gz DLBFIVDJPKVWBO-UHFFFAOYSA-N -1 3 392.423 0.857 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000822216537 607095875 /nfs/dbraw/zinc/09/58/75/607095875.db2.gz RLTWGMFVXKCOBZ-UHFFFAOYSA-N -1 3 392.441 0.055 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000822216537 607095876 /nfs/dbraw/zinc/09/58/76/607095876.db2.gz RLTWGMFVXKCOBZ-UHFFFAOYSA-N -1 3 392.441 0.055 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000822903648 607096101 /nfs/dbraw/zinc/09/61/01/607096101.db2.gz MUGYVNPNPBZGBM-UHFFFAOYSA-N -1 3 398.362 0.281 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000822903648 607096103 /nfs/dbraw/zinc/09/61/03/607096103.db2.gz MUGYVNPNPBZGBM-UHFFFAOYSA-N -1 3 398.362 0.281 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000823309024 607096404 /nfs/dbraw/zinc/09/64/04/607096404.db2.gz PPUJFKBZUJHTSY-HNNXBMFYSA-N -1 3 397.439 0.855 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000823309024 607096405 /nfs/dbraw/zinc/09/64/05/607096405.db2.gz PPUJFKBZUJHTSY-HNNXBMFYSA-N -1 3 397.439 0.855 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000821755717 607097011 /nfs/dbraw/zinc/09/70/11/607097011.db2.gz IYCLYKNARGABGM-LLVKDONJSA-N -1 3 382.384 0.731 20 0 GCADHM CN(C)C(=O)CCCC[S@](=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821575624 607098579 /nfs/dbraw/zinc/09/85/79/607098579.db2.gz JIPBVYGEOFGPJB-SANMLTNESA-N -1 3 378.458 0.812 20 0 GCADHM CN(C)C(=O)CCCC[S@](=O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821575624 607098581 /nfs/dbraw/zinc/09/85/81/607098581.db2.gz JIPBVYGEOFGPJB-SANMLTNESA-N -1 3 378.458 0.812 20 0 GCADHM C[C@H](CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[S@](C)=O ZINC000820241945 607098589 /nfs/dbraw/zinc/09/85/89/607098589.db2.gz KKYMEOBQAUGMHI-NDHGSNPTSA-N -1 3 399.498 0.055 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2)NC(=O)NC1=O ZINC000820606940 607101063 /nfs/dbraw/zinc/10/10/63/607101063.db2.gz GOBNYFVLHSCVAL-SCLBCKFNSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820606940 607101065 /nfs/dbraw/zinc/10/10/65/607101065.db2.gz GOBNYFVLHSCVAL-SCLBCKFNSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)C2)NC(=O)NC1=O ZINC000820607193 607101406 /nfs/dbraw/zinc/10/14/06/607101406.db2.gz MFEJDNDKAMSRCA-SCLBCKFNSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)C2)NC(=O)NC1=O ZINC000820607193 607101407 /nfs/dbraw/zinc/10/14/07/607101407.db2.gz MFEJDNDKAMSRCA-SCLBCKFNSA-N -1 3 398.427 0.386 20 0 GCADHM O=C(CN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)Nc1nc(C2CC2)no1 ZINC000822997706 607102376 /nfs/dbraw/zinc/10/23/76/607102376.db2.gz VCKOVOGRWAUQFI-UHFFFAOYSA-N -1 3 396.415 0.283 20 0 GCADHM O=C(CN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)Nc1nc(C2CC2)no1 ZINC000822997706 607102378 /nfs/dbraw/zinc/10/23/78/607102378.db2.gz VCKOVOGRWAUQFI-UHFFFAOYSA-N -1 3 396.415 0.283 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821138855 607102748 /nfs/dbraw/zinc/10/27/48/607102748.db2.gz JASDCGZRVJOABI-GFCCVEGCSA-N -1 3 390.423 0.491 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821138855 607102749 /nfs/dbraw/zinc/10/27/49/607102749.db2.gz JASDCGZRVJOABI-GFCCVEGCSA-N -1 3 390.423 0.491 20 0 GCADHM O=C(COC(=O)c1sccc1-c1nnn[n-]1)CN1C(=O)c2ccccc2C1=O ZINC000823027352 607111827 /nfs/dbraw/zinc/11/18/27/607111827.db2.gz RWJLNNLBQVSFAL-UHFFFAOYSA-N -1 3 397.372 0.950 20 0 GCADHM NC(=O)[C@H]1CC[C@H](CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC000822860171 607111920 /nfs/dbraw/zinc/11/19/20/607111920.db2.gz OFLSBAZFRQXLQW-LDYMZIIASA-N -1 3 381.849 0.839 20 0 GCADHM NC(=O)[C@H]1CC[C@H](CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC000822860171 607111921 /nfs/dbraw/zinc/11/19/21/607111921.db2.gz OFLSBAZFRQXLQW-LDYMZIIASA-N -1 3 381.849 0.839 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CN1C(=O)c2ccccc2C1=O ZINC000823023108 607112243 /nfs/dbraw/zinc/11/22/43/607112243.db2.gz VTPUSWFYBMSBPI-UHFFFAOYSA-N -1 3 380.320 0.217 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CN1C(=O)c2ccccc2C1=O ZINC000823023108 607112244 /nfs/dbraw/zinc/11/22/44/607112244.db2.gz VTPUSWFYBMSBPI-UHFFFAOYSA-N -1 3 380.320 0.217 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821139432 607112659 /nfs/dbraw/zinc/11/26/59/607112659.db2.gz YURHPUXDFPIWCH-OAHLLOKOSA-N -1 3 386.460 0.348 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000819976608 607113501 /nfs/dbraw/zinc/11/35/01/607113501.db2.gz ZCTRKVQPLXBEQC-QWRGUYRKSA-N -1 3 376.421 0.578 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000819976608 607113502 /nfs/dbraw/zinc/11/35/02/607113502.db2.gz ZCTRKVQPLXBEQC-QWRGUYRKSA-N -1 3 376.421 0.578 20 0 GCADHM C[C@H](C(=O)OCc1ccccc1-c1nnn[n-]1)S(=O)(=O)C1CCOCC1 ZINC000819883232 607114477 /nfs/dbraw/zinc/11/44/77/607114477.db2.gz GCRCSDHHZHJHLC-LLVKDONJSA-N -1 3 380.426 0.892 20 0 GCADHM C[C@H](C(=O)OCc1ccccc1-c1nn[n-]n1)S(=O)(=O)C1CCOCC1 ZINC000819883232 607114478 /nfs/dbraw/zinc/11/44/78/607114478.db2.gz GCRCSDHHZHJHLC-LLVKDONJSA-N -1 3 380.426 0.892 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCOCC1CC1 ZINC000820445200 607115827 /nfs/dbraw/zinc/11/58/27/607115827.db2.gz OMAQAUHXUJRUQS-NSHDSACASA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCOCC1CC1 ZINC000820445200 607115829 /nfs/dbraw/zinc/11/58/29/607115829.db2.gz OMAQAUHXUJRUQS-NSHDSACASA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[Si](C)(C)C ZINC000820447128 607116131 /nfs/dbraw/zinc/11/61/31/607116131.db2.gz YINGYCDAAZBDHE-JTQLQIEISA-N -1 3 383.506 0.954 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[Si](C)(C)C ZINC000820447128 607116133 /nfs/dbraw/zinc/11/61/33/607116133.db2.gz YINGYCDAAZBDHE-JTQLQIEISA-N -1 3 383.506 0.954 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cscn1 ZINC000820444819 607116249 /nfs/dbraw/zinc/11/62/49/607116249.db2.gz MAHFTBJKBSEMSY-VIFPVBQESA-N -1 3 394.438 0.733 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cscn1 ZINC000820444819 607116250 /nfs/dbraw/zinc/11/62/50/607116250.db2.gz MAHFTBJKBSEMSY-VIFPVBQESA-N -1 3 394.438 0.733 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820859181 607116385 /nfs/dbraw/zinc/11/63/85/607116385.db2.gz BXSSYEHJRKVOLA-QWRGUYRKSA-N -1 3 395.441 0.692 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820859181 607116387 /nfs/dbraw/zinc/11/63/87/607116387.db2.gz BXSSYEHJRKVOLA-QWRGUYRKSA-N -1 3 395.441 0.692 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821646292 607116389 /nfs/dbraw/zinc/11/63/89/607116389.db2.gz GBKXEGBBYKJOKI-OAHLLOKOSA-N -1 3 396.363 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821646292 607116390 /nfs/dbraw/zinc/11/63/90/607116390.db2.gz GBKXEGBBYKJOKI-OAHLLOKOSA-N -1 3 396.363 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821646848 607116527 /nfs/dbraw/zinc/11/65/27/607116527.db2.gz PPGAZJPGGCZTDL-OAHLLOKOSA-N -1 3 396.363 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821646848 607116529 /nfs/dbraw/zinc/11/65/29/607116529.db2.gz PPGAZJPGGCZTDL-OAHLLOKOSA-N -1 3 396.363 0.449 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1cccnc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820495284 607116647 /nfs/dbraw/zinc/11/66/47/607116647.db2.gz GNQUHHMYVVBCDV-LLVKDONJSA-N -1 3 395.379 0.562 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1cccnc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820495284 607116649 /nfs/dbraw/zinc/11/66/49/607116649.db2.gz GNQUHHMYVVBCDV-LLVKDONJSA-N -1 3 395.379 0.562 20 0 GCADHM CSCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821960646 607116791 /nfs/dbraw/zinc/11/67/91/607116791.db2.gz CASSSKDIBWBGSG-JTQLQIEISA-N -1 3 385.471 0.830 20 0 GCADHM CSCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821960646 607116792 /nfs/dbraw/zinc/11/67/92/607116792.db2.gz CASSSKDIBWBGSG-JTQLQIEISA-N -1 3 385.471 0.830 20 0 GCADHM CCC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820833074 607116822 /nfs/dbraw/zinc/11/68/22/607116822.db2.gz SCRIIPAPWMSACF-VHSXEESVSA-N -1 3 381.414 0.444 20 0 GCADHM CCC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820833074 607116823 /nfs/dbraw/zinc/11/68/23/607116823.db2.gz SCRIIPAPWMSACF-VHSXEESVSA-N -1 3 381.414 0.444 20 0 GCADHM Cn1nc2c(c1C(=O)OCC(=O)NCc1cccc(-c3nnn[n-]3)c1)CCCC2 ZINC000822704579 607117088 /nfs/dbraw/zinc/11/70/88/607117088.db2.gz NJGXVRSBNATEHM-UHFFFAOYSA-N -1 3 395.423 0.952 20 0 GCADHM Cn1nc2c(c1C(=O)OCC(=O)NCc1cccc(-c3nn[n-]n3)c1)CCCC2 ZINC000822704579 607117090 /nfs/dbraw/zinc/11/70/90/607117090.db2.gz NJGXVRSBNATEHM-UHFFFAOYSA-N -1 3 395.423 0.952 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCCCC1=O ZINC000820450133 607118885 /nfs/dbraw/zinc/11/88/85/607118885.db2.gz HGPSLTOKHIYHQN-QMTHXVAHSA-N -1 3 393.425 0.588 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCCCC1=O ZINC000820450133 607118887 /nfs/dbraw/zinc/11/88/87/607118887.db2.gz HGPSLTOKHIYHQN-QMTHXVAHSA-N -1 3 393.425 0.588 20 0 GCADHM CC(=O)CCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819783424 607119887 /nfs/dbraw/zinc/11/98/87/607119887.db2.gz XBTPDEIOXOHCPO-LBPRGKRZSA-N -1 3 395.441 0.836 20 0 GCADHM CC(=O)CCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819783424 607119889 /nfs/dbraw/zinc/11/98/89/607119889.db2.gz XBTPDEIOXOHCPO-LBPRGKRZSA-N -1 3 395.441 0.836 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)C1CCC1 ZINC000820450902 607120404 /nfs/dbraw/zinc/12/04/04/607120404.db2.gz QGLBPTLXUXJJRR-JTQLQIEISA-N -1 3 393.425 0.446 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)C1CCC1 ZINC000820450902 607120405 /nfs/dbraw/zinc/12/04/05/607120405.db2.gz QGLBPTLXUXJJRR-JTQLQIEISA-N -1 3 393.425 0.446 20 0 GCADHM CC[C@@H](C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820861770 607120456 /nfs/dbraw/zinc/12/04/56/607120456.db2.gz NNOWYIXHDNUVFX-GHMZBOCLSA-N -1 3 395.441 0.692 20 0 GCADHM CC[C@@H](C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820861770 607120457 /nfs/dbraw/zinc/12/04/57/607120457.db2.gz NNOWYIXHDNUVFX-GHMZBOCLSA-N -1 3 395.441 0.692 20 0 GCADHM CCC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820831998 607120516 /nfs/dbraw/zinc/12/05/16/607120516.db2.gz GSLYGEACTCAESW-UWVGGRQHSA-N -1 3 381.414 0.444 20 0 GCADHM CCC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820831998 607120519 /nfs/dbraw/zinc/12/05/19/607120519.db2.gz GSLYGEACTCAESW-UWVGGRQHSA-N -1 3 381.414 0.444 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cscn1 ZINC000820449876 607120788 /nfs/dbraw/zinc/12/07/88/607120788.db2.gz DHVJFVMURKLWEB-VIFPVBQESA-N -1 3 394.438 0.733 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cscn1 ZINC000820449876 607120790 /nfs/dbraw/zinc/12/07/90/607120790.db2.gz DHVJFVMURKLWEB-VIFPVBQESA-N -1 3 394.438 0.733 20 0 GCADHM Cc1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000822201040 607121195 /nfs/dbraw/zinc/12/11/95/607121195.db2.gz NWXANOZHNLMOOA-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000822201040 607121197 /nfs/dbraw/zinc/12/11/97/607121197.db2.gz NWXANOZHNLMOOA-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM CCCC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821000172 607121383 /nfs/dbraw/zinc/12/13/83/607121383.db2.gz ALRNCKDNLZMBGI-SNVBAGLBSA-N -1 3 381.414 0.446 20 0 GCADHM CCCC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821000172 607121385 /nfs/dbraw/zinc/12/13/85/607121385.db2.gz ALRNCKDNLZMBGI-SNVBAGLBSA-N -1 3 381.414 0.446 20 0 GCADHM C[C@@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820231648 607123954 /nfs/dbraw/zinc/12/39/54/607123954.db2.gz CRXRMGZYESVOIS-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820231648 607123955 /nfs/dbraw/zinc/12/39/55/607123955.db2.gz CRXRMGZYESVOIS-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000821104585 607125003 /nfs/dbraw/zinc/12/50/03/607125003.db2.gz JFMUFZYXKOFKLS-GJZGRUSLSA-N -1 3 387.444 0.821 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000821104585 607125005 /nfs/dbraw/zinc/12/50/05/607125005.db2.gz JFMUFZYXKOFKLS-GJZGRUSLSA-N -1 3 387.444 0.821 20 0 GCADHM CC(C)OC(=O)[C@H](C)N(C)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820142124 607126615 /nfs/dbraw/zinc/12/66/15/607126615.db2.gz GRTGBTPLGANNDV-LBPRGKRZSA-N -1 3 381.458 0.912 20 0 GCADHM CC(C)OC(=O)[C@H](C)N(C)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820142124 607126617 /nfs/dbraw/zinc/12/66/17/607126617.db2.gz GRTGBTPLGANNDV-LBPRGKRZSA-N -1 3 381.458 0.912 20 0 GCADHM Cc1nc(-c2ccc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)cc2)n[nH]1 ZINC000822505211 607130420 /nfs/dbraw/zinc/13/04/20/607130420.db2.gz CKQOTPVISAREEK-UHFFFAOYSA-N -1 3 380.372 0.596 20 0 GCADHM Cc1nc(-c2ccc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)cc2)n[nH]1 ZINC000822505211 607130421 /nfs/dbraw/zinc/13/04/21/607130421.db2.gz CKQOTPVISAREEK-UHFFFAOYSA-N -1 3 380.372 0.596 20 0 GCADHM NS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822899952 607142785 /nfs/dbraw/zinc/14/27/85/607142785.db2.gz ZVKOISFJKMMGPU-UHFFFAOYSA-N -1 3 399.385 0.421 20 0 GCADHM NS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822899952 607142787 /nfs/dbraw/zinc/14/27/87/607142787.db2.gz ZVKOISFJKMMGPU-UHFFFAOYSA-N -1 3 399.385 0.421 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)O1 ZINC000820607410 607143328 /nfs/dbraw/zinc/14/33/28/607143328.db2.gz TYAYTVZPSCCZEX-LBPRGKRZSA-N -1 3 384.400 0.516 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)O1 ZINC000820607410 607143329 /nfs/dbraw/zinc/14/33/29/607143329.db2.gz TYAYTVZPSCCZEX-LBPRGKRZSA-N -1 3 384.400 0.516 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821367792 607144099 /nfs/dbraw/zinc/14/40/99/607144099.db2.gz NDLROSUNXSQOJC-AAEUAGOBSA-N -1 3 377.401 0.671 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821367792 607144101 /nfs/dbraw/zinc/14/41/01/607144101.db2.gz NDLROSUNXSQOJC-AAEUAGOBSA-N -1 3 377.401 0.671 20 0 GCADHM Cc1cc(CS(=O)(=O)C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)nn1C ZINC000822201114 607144732 /nfs/dbraw/zinc/14/47/32/607144732.db2.gz RCTLBFDEBCBUGI-CQSZACIVSA-N -1 3 392.441 0.263 20 0 GCADHM NC(=O)[C@H]1CC[C@H](CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)O1 ZINC000822860314 607145575 /nfs/dbraw/zinc/14/55/75/607145575.db2.gz RFSAGCHWEVSLSF-HUUCEWRRSA-N -1 3 385.428 0.574 20 0 GCADHM NC(=O)[C@H]1CC[C@H](CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)O1 ZINC000822860314 607145576 /nfs/dbraw/zinc/14/55/76/607145576.db2.gz RFSAGCHWEVSLSF-HUUCEWRRSA-N -1 3 385.428 0.574 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000823601299 607146214 /nfs/dbraw/zinc/14/62/14/607146214.db2.gz ZLLHGLRIAQPETK-QWHCGFSZSA-N -1 3 385.446 0.901 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n[nH]1 ZINC000822206905 607147219 /nfs/dbraw/zinc/14/72/19/607147219.db2.gz CNOVENVPLRHOKY-SECBINFHSA-N -1 3 376.402 0.204 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000822206905 607147222 /nfs/dbraw/zinc/14/72/22/607147222.db2.gz CNOVENVPLRHOKY-SECBINFHSA-N -1 3 376.402 0.204 20 0 GCADHM O=C1[C@H](N2CCOC3(CCOCC3)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503102 607150925 /nfs/dbraw/zinc/15/09/25/607150925.db2.gz BMGIQTKHOOGACD-CYBMUJFWSA-N -1 3 390.469 0.915 20 0 GCADHM O=C1[C@H](N2CCOC3(CCOCC3)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503102 607150927 /nfs/dbraw/zinc/15/09/27/607150927.db2.gz BMGIQTKHOOGACD-CYBMUJFWSA-N -1 3 390.469 0.915 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](O)C1CCOCC1 ZINC000819997085 607155832 /nfs/dbraw/zinc/15/58/32/607155832.db2.gz PYYJXAVKKWGRIT-HNNXBMFYSA-N -1 3 375.429 0.928 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](O)C1CCOCC1 ZINC000819997085 607155833 /nfs/dbraw/zinc/15/58/33/607155833.db2.gz PYYJXAVKKWGRIT-HNNXBMFYSA-N -1 3 375.429 0.928 20 0 GCADHM O=C(Cn1cncc(Br)c1=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823136381 607159065 /nfs/dbraw/zinc/15/90/65/607159065.db2.gz YLOLGYUBTOZHQH-UHFFFAOYSA-N -1 3 376.174 0.825 20 0 GCADHM O=C(Cn1cncc(Br)c1=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823136381 607159067 /nfs/dbraw/zinc/15/90/67/607159067.db2.gz YLOLGYUBTOZHQH-UHFFFAOYSA-N -1 3 376.174 0.825 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821684658 607166435 /nfs/dbraw/zinc/16/64/35/607166435.db2.gz GUWRTDMVUZHMST-UHFFFAOYSA-N -1 3 388.428 0.389 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821684658 607166436 /nfs/dbraw/zinc/16/64/36/607166436.db2.gz GUWRTDMVUZHMST-UHFFFAOYSA-N -1 3 388.428 0.389 20 0 GCADHM Cc1cc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cn(C)c1=O ZINC000822209372 607168931 /nfs/dbraw/zinc/16/89/31/607168931.db2.gz GHOYUBHFFZBRQW-UHFFFAOYSA-N -1 3 391.395 0.894 20 0 GCADHM Cc1cc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cn(C)c1=O ZINC000822209372 607168932 /nfs/dbraw/zinc/16/89/32/607168932.db2.gz GHOYUBHFFZBRQW-UHFFFAOYSA-N -1 3 391.395 0.894 20 0 GCADHM Cc1cc(-c2nnc(S[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)n2N)n[nH]1 ZINC000822128906 607169778 /nfs/dbraw/zinc/16/97/78/607169778.db2.gz GCEKRCQVNHGHQK-LLVKDONJSA-N -1 3 397.428 0.189 20 0 GCADHM Cc1cc(-c2nnc(S[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)n2N)n[nH]1 ZINC000822128906 607169779 /nfs/dbraw/zinc/16/97/79/607169779.db2.gz GCEKRCQVNHGHQK-LLVKDONJSA-N -1 3 397.428 0.189 20 0 GCADHM FC(F)c1nnc2ccc(N3CCN(c4cc(-c5nnn[n-]5)ccn4)CC3)nn21 ZINC000822736376 607173216 /nfs/dbraw/zinc/17/32/16/607173216.db2.gz DVCICTNZJPPSMN-UHFFFAOYSA-N -1 3 399.369 0.964 20 0 GCADHM FC(F)c1nnc2ccc(N3CCN(c4cc(-c5nn[n-]n5)ccn4)CC3)nn21 ZINC000822736376 607173217 /nfs/dbraw/zinc/17/32/17/607173217.db2.gz DVCICTNZJPPSMN-UHFFFAOYSA-N -1 3 399.369 0.964 20 0 GCADHM O=C1NC[C@H]2CN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)CCN2C1=O ZINC000823547736 607174139 /nfs/dbraw/zinc/17/41/39/607174139.db2.gz ONNLEZHSMKQLOG-VIFPVBQESA-N -1 3 381.318 0.033 20 0 GCADHM O=C1NC[C@H]2CN(c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)CCN2C1=O ZINC000823547736 607174140 /nfs/dbraw/zinc/17/41/40/607174140.db2.gz ONNLEZHSMKQLOG-VIFPVBQESA-N -1 3 381.318 0.033 20 0 GCADHM C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820259636 607179711 /nfs/dbraw/zinc/17/97/11/607179711.db2.gz APFCDEWJGDSRHK-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820259636 607179712 /nfs/dbraw/zinc/17/97/12/607179712.db2.gz APFCDEWJGDSRHK-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM CCOC(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821325358 607180172 /nfs/dbraw/zinc/18/01/72/607180172.db2.gz DUSGLMXMGFYWAR-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM CCOC(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821325358 607180173 /nfs/dbraw/zinc/18/01/73/607180173.db2.gz DUSGLMXMGFYWAR-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820876407 607180631 /nfs/dbraw/zinc/18/06/31/607180631.db2.gz PZLVFJVNYNCYHP-DTWKUNHWSA-N -1 3 393.835 0.878 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820876407 607180632 /nfs/dbraw/zinc/18/06/32/607180632.db2.gz PZLVFJVNYNCYHP-DTWKUNHWSA-N -1 3 393.835 0.878 20 0 GCADHM COC(=O)CCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821659969 607181000 /nfs/dbraw/zinc/18/10/00/607181000.db2.gz ALUCMRWKIPQLMT-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM COC(=O)CCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821659969 607181001 /nfs/dbraw/zinc/18/10/01/607181001.db2.gz ALUCMRWKIPQLMT-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM O=C(NC[C@@H](O)COCC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823166305 607181390 /nfs/dbraw/zinc/18/13/90/607181390.db2.gz IRTKCQXVNTYDTJ-LLVKDONJSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(NC[C@@H](O)COCC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823166305 607181391 /nfs/dbraw/zinc/18/13/91/607181391.db2.gz IRTKCQXVNTYDTJ-LLVKDONJSA-N -1 3 394.819 0.362 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820965909 607181606 /nfs/dbraw/zinc/18/16/06/607181606.db2.gz ALGGBRSXEGOSNI-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820965909 607181607 /nfs/dbraw/zinc/18/16/07/607181607.db2.gz ALGGBRSXEGOSNI-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC000820129312 607181674 /nfs/dbraw/zinc/18/16/74/607181674.db2.gz YSEZXOMVMMJLGF-LBPRGKRZSA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000820129312 607181675 /nfs/dbraw/zinc/18/16/75/607181675.db2.gz YSEZXOMVMMJLGF-LBPRGKRZSA-N -1 3 391.819 0.584 20 0 GCADHM CCc1nc(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)no1 ZINC000821505438 607181930 /nfs/dbraw/zinc/18/19/30/607181930.db2.gz QEJXAVVJVCRAEX-UHFFFAOYSA-N -1 3 390.791 0.763 20 0 GCADHM CCc1nc(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)no1 ZINC000821505438 607181931 /nfs/dbraw/zinc/18/19/31/607181931.db2.gz QEJXAVVJVCRAEX-UHFFFAOYSA-N -1 3 390.791 0.763 20 0 GCADHM O=C(NCCNc1cnccn1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823206100 607182811 /nfs/dbraw/zinc/18/28/11/607182811.db2.gz JHZIHODGRRMMIP-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM O=C(NCCNc1cnccn1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823206100 607182812 /nfs/dbraw/zinc/18/28/12/607182812.db2.gz JHZIHODGRRMMIP-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000823313779 607183499 /nfs/dbraw/zinc/18/34/99/607183499.db2.gz IRSLELNZNYJQOO-UHFFFAOYSA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000823313779 607183500 /nfs/dbraw/zinc/18/35/00/607183500.db2.gz IRSLELNZNYJQOO-UHFFFAOYSA-N -1 3 389.803 0.292 20 0 GCADHM C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736141705 607183943 /nfs/dbraw/zinc/18/39/43/607183943.db2.gz AUOQOJNRLVABMU-LLVKDONJSA-N -1 3 397.395 0.880 20 0 GCADHM C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736141705 607183944 /nfs/dbraw/zinc/18/39/44/607183944.db2.gz AUOQOJNRLVABMU-LLVKDONJSA-N -1 3 397.395 0.880 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820288438 607183949 /nfs/dbraw/zinc/18/39/49/607183949.db2.gz VIXNOOWCOOVNSH-MWLCHTKSSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820288438 607183950 /nfs/dbraw/zinc/18/39/50/607183950.db2.gz VIXNOOWCOOVNSH-MWLCHTKSSA-N -1 3 394.819 0.769 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000823309067 607185096 /nfs/dbraw/zinc/18/50/96/607185096.db2.gz RHPGJXNHQMSUKT-DYVFJYSZSA-N -1 3 388.453 0.976 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000823309067 607185097 /nfs/dbraw/zinc/18/50/97/607185097.db2.gz RHPGJXNHQMSUKT-DYVFJYSZSA-N -1 3 388.453 0.976 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000822964737 607188497 /nfs/dbraw/zinc/18/84/97/607188497.db2.gz OABVWKFSDNLWCV-UHFFFAOYSA-N -1 3 394.395 0.412 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 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394.501 0.643 20 0 GCADHM C[C@H](c1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1)N1CCOCC1 ZINC000820563822 607214951 /nfs/dbraw/zinc/21/49/51/607214951.db2.gz VSBAUXDAUBVHOP-GFCCVEGCSA-N -1 3 383.416 0.490 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)Nc1ccc(CC(=O)NCCO)cc1 ZINC000823082433 607222167 /nfs/dbraw/zinc/22/21/67/607222167.db2.gz IOJDFBKNVBPFDH-UHFFFAOYSA-N -1 3 396.407 0.535 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)Nc1ccc(CC(=O)NCCO)cc1 ZINC000823082433 607222168 /nfs/dbraw/zinc/22/21/68/607222168.db2.gz IOJDFBKNVBPFDH-UHFFFAOYSA-N -1 3 396.407 0.535 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC000820606794 607223436 /nfs/dbraw/zinc/22/34/36/607223436.db2.gz DMMRZPSBOCZIAZ-VIFPVBQESA-N -1 3 380.792 0.726 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC000820606794 607223437 /nfs/dbraw/zinc/22/34/37/607223437.db2.gz DMMRZPSBOCZIAZ-VIFPVBQESA-N -1 3 380.792 0.726 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822674562 607229007 /nfs/dbraw/zinc/22/90/07/607229007.db2.gz XAVBMAJXBJODRT-KRWDZBQOSA-N -1 3 395.383 0.006 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822674562 607229008 /nfs/dbraw/zinc/22/90/08/607229008.db2.gz XAVBMAJXBJODRT-KRWDZBQOSA-N -1 3 395.383 0.006 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1N1CCOCC1 ZINC000820993888 607230328 /nfs/dbraw/zinc/23/03/28/607230328.db2.gz BPHVYOAPDHFTFF-CZUORRHYSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820993888 607230329 /nfs/dbraw/zinc/23/03/29/607230329.db2.gz BPHVYOAPDHFTFF-CZUORRHYSA-N -1 3 392.485 0.598 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821931411 607232845 /nfs/dbraw/zinc/23/28/45/607232845.db2.gz DFVDEBSKJYRQQS-SECBINFHSA-N -1 3 385.837 0.069 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821931411 607232846 /nfs/dbraw/zinc/23/28/46/607232846.db2.gz DFVDEBSKJYRQQS-SECBINFHSA-N -1 3 385.837 0.069 20 0 GCADHM Cn1cnc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nnn[n-]2)c1 ZINC000822699398 607233253 /nfs/dbraw/zinc/23/32/53/607233253.db2.gz ZLZAGQJVGGQEDF-UHFFFAOYSA-N -1 3 392.427 0.731 20 0 GCADHM Cn1cnc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nn[n-]n2)c1 ZINC000822699398 607233254 /nfs/dbraw/zinc/23/32/54/607233254.db2.gz ZLZAGQJVGGQEDF-UHFFFAOYSA-N -1 3 392.427 0.731 20 0 GCADHM CCCn1c(CO)nnc1SC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821142268 607252020 /nfs/dbraw/zinc/25/20/20/607252020.db2.gz FWJLRODWGBZTLT-GFCCVEGCSA-N -1 3 391.457 0.893 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCc2cc[nH]n2)cc1-c1nnn[n-]1 ZINC000825523159 607772304 /nfs/dbraw/zinc/77/23/04/607772304.db2.gz NOGGDDSYRZYTCB-UHFFFAOYSA-N -1 3 399.371 0.413 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCc2cc[nH]n2)cc1-c1nn[n-]n1 ZINC000825523159 607772305 /nfs/dbraw/zinc/77/23/05/607772305.db2.gz NOGGDDSYRZYTCB-UHFFFAOYSA-N -1 3 399.371 0.413 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)cn1C)Cc1ccccc1OC ZINC000826104139 607772496 /nfs/dbraw/zinc/77/24/96/607772496.db2.gz QJZYPXNJILGTIQ-ZDUSSCGKSA-N -1 3 398.423 0.976 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)cn1C)Cc1ccccc1OC ZINC000826104139 607772497 /nfs/dbraw/zinc/77/24/97/607772497.db2.gz QJZYPXNJILGTIQ-ZDUSSCGKSA-N -1 3 398.423 0.976 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)N1CCC[C@@H](O)C1 ZINC000826459743 607772586 /nfs/dbraw/zinc/77/25/86/607772586.db2.gz XSWBVKNMIOGSAI-GFCCVEGCSA-N -1 3 399.436 0.912 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)N1CCC[C@@H](O)C1 ZINC000826459743 607772587 /nfs/dbraw/zinc/77/25/87/607772587.db2.gz XSWBVKNMIOGSAI-GFCCVEGCSA-N -1 3 399.436 0.912 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)Nc2cnn(C)c2)cc1-c1nnn[n-]1 ZINC000825523776 607773199 /nfs/dbraw/zinc/77/31/99/607773199.db2.gz URHKRNKRJCZKPI-UHFFFAOYSA-N -1 3 399.371 0.746 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)Nc2cnn(C)c2)cc1-c1nn[n-]n1 ZINC000825523776 607773200 /nfs/dbraw/zinc/77/32/00/607773200.db2.gz URHKRNKRJCZKPI-UHFFFAOYSA-N -1 3 399.371 0.746 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000826174709 607773499 /nfs/dbraw/zinc/77/34/99/607773499.db2.gz GWTKTPKRJGSLLK-BXUZGUMPSA-N -1 3 388.428 0.627 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1C ZINC000826174709 607773500 /nfs/dbraw/zinc/77/35/00/607773500.db2.gz GWTKTPKRJGSLLK-BXUZGUMPSA-N -1 3 388.428 0.627 20 0 GCADHM CC(C)C[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824229449 607774337 /nfs/dbraw/zinc/77/43/37/607774337.db2.gz QVEJENMMFRNZIG-LBPRGKRZSA-N -1 3 397.443 0.996 20 0 GCADHM CC(C)C[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824229449 607774338 /nfs/dbraw/zinc/77/43/38/607774338.db2.gz QVEJENMMFRNZIG-LBPRGKRZSA-N -1 3 397.443 0.996 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826277080 607774622 /nfs/dbraw/zinc/77/46/22/607774622.db2.gz IRHVEGFSBBUYAM-CYBMUJFWSA-N -1 3 395.427 0.644 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826277080 607774623 /nfs/dbraw/zinc/77/46/23/607774623.db2.gz IRHVEGFSBBUYAM-CYBMUJFWSA-N -1 3 395.427 0.644 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826451916 607774720 /nfs/dbraw/zinc/77/47/20/607774720.db2.gz BKIVUMCAAGAAKR-GFCCVEGCSA-N -1 3 381.400 0.336 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826451916 607774721 /nfs/dbraw/zinc/77/47/21/607774721.db2.gz BKIVUMCAAGAAKR-GFCCVEGCSA-N -1 3 381.400 0.336 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826452877 607774807 /nfs/dbraw/zinc/77/48/07/607774807.db2.gz MOKLAYSAUIWSIU-NSHDSACASA-N -1 3 399.390 0.475 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826452877 607774808 /nfs/dbraw/zinc/77/48/08/607774808.db2.gz MOKLAYSAUIWSIU-NSHDSACASA-N -1 3 399.390 0.475 20 0 GCADHM O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826434815 607776314 /nfs/dbraw/zinc/77/63/14/607776314.db2.gz YJZCCJRUKHZPGM-LJQANCHMSA-N -1 3 396.382 0.895 20 0 GCADHM O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826434815 607776315 /nfs/dbraw/zinc/77/63/15/607776315.db2.gz YJZCCJRUKHZPGM-LJQANCHMSA-N -1 3 396.382 0.895 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826438950 607781718 /nfs/dbraw/zinc/78/17/18/607781718.db2.gz XWOIGSORKQBNHJ-CQSZACIVSA-N -1 3 397.443 0.959 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826438949 607781831 /nfs/dbraw/zinc/78/18/31/607781831.db2.gz XWOIGSORKQBNHJ-AWEZNQCLSA-N -1 3 397.443 0.959 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)N[C@@H]2CCOC2)nn1-c1ccccc1 ZINC000826394998 607782591 /nfs/dbraw/zinc/78/25/91/607782591.db2.gz IKZKICBOVVNJQX-GFCCVEGCSA-N -1 3 397.443 0.655 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)N[C@@H]2CCOC2)nn1-c1ccccc1 ZINC000826394998 607782592 /nfs/dbraw/zinc/78/25/92/607782592.db2.gz IKZKICBOVVNJQX-GFCCVEGCSA-N -1 3 397.443 0.655 20 0 GCADHM CCOC(=O)Nc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1-c1nnn[n-]1 ZINC000825544819 607784614 /nfs/dbraw/zinc/78/46/14/607784614.db2.gz GGQDFKVMIJDBDW-SECBINFHSA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(N[C@H](C)C(=O)N2CCNC2=O)cc1-c1nn[n-]n1 ZINC000825544819 607784615 /nfs/dbraw/zinc/78/46/15/607784615.db2.gz GGQDFKVMIJDBDW-SECBINFHSA-N -1 3 388.388 0.787 20 0 GCADHM C[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498398 607793729 /nfs/dbraw/zinc/79/37/29/607793729.db2.gz GOBJQXBSMKWZKW-RYUDHWBXSA-N -1 3 393.473 0.508 20 0 GCADHM C[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498398 607793730 /nfs/dbraw/zinc/79/37/30/607793730.db2.gz GOBJQXBSMKWZKW-RYUDHWBXSA-N -1 3 393.473 0.508 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000824738566 607794482 /nfs/dbraw/zinc/79/44/82/607794482.db2.gz 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COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826174903 607803907 /nfs/dbraw/zinc/80/39/07/607803907.db2.gz MVZPIQLSOJXKMW-UHFFFAOYSA-N -1 3 398.427 0.784 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826174903 607803908 /nfs/dbraw/zinc/80/39/08/607803908.db2.gz MVZPIQLSOJXKMW-UHFFFAOYSA-N -1 3 398.427 0.784 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826223390 607804056 /nfs/dbraw/zinc/80/40/56/607804056.db2.gz KYRUYBPUPFXRLQ-SECBINFHSA-N -1 3 399.864 0.923 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826223390 607804057 /nfs/dbraw/zinc/80/40/57/607804057.db2.gz KYRUYBPUPFXRLQ-SECBINFHSA-N -1 3 399.864 0.923 20 0 GCADHM C[C@@H](Oc1cccc(CO)c1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824737307 607804733 /nfs/dbraw/zinc/80/47/33/607804733.db2.gz DYEMXEJJQOHMDB-BZNIZROVSA-N -1 3 397.391 0.896 20 0 GCADHM C[C@@H](Oc1cccc(CO)c1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824737307 607804734 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CCOC(=O)Cn1cccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000825518208 607824375 /nfs/dbraw/zinc/82/43/75/607824375.db2.gz UQBAQRGYNWSSPX-UHFFFAOYSA-N -1 3 382.380 0.773 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000825518208 607824376 /nfs/dbraw/zinc/82/43/76/607824376.db2.gz UQBAQRGYNWSSPX-UHFFFAOYSA-N -1 3 382.380 0.773 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC[C@H](C)C1 ZINC000825006948 607825670 /nfs/dbraw/zinc/82/56/70/607825670.db2.gz UAWYHFWXJYLZDZ-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC[C@H](C)C1 ZINC000825006948 607825671 /nfs/dbraw/zinc/82/56/71/607825671.db2.gz UAWYHFWXJYLZDZ-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM CCN1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[C@H]1C ZINC000825460484 607825894 /nfs/dbraw/zinc/82/58/94/607825894.db2.gz YRHLUVQOYTVQTM-GFCCVEGCSA-N -1 3 381.444 0.801 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000824420338 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/nfs/dbraw/zinc/91/54/40/607915440.db2.gz UXEHUIBIJZGNBT-LBPRGKRZSA-N -1 3 395.851 0.822 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826160516 607915441 /nfs/dbraw/zinc/91/54/41/607915441.db2.gz UXEHUIBIJZGNBT-LBPRGKRZSA-N -1 3 395.851 0.822 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCCNC(=O)C(C)C ZINC000826174752 607915458 /nfs/dbraw/zinc/91/54/58/607915458.db2.gz IHTHFNKJTPURFS-UHFFFAOYSA-N -1 3 376.417 0.533 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCCNC(=O)C(C)C ZINC000826174752 607915459 /nfs/dbraw/zinc/91/54/59/607915459.db2.gz IHTHFNKJTPURFS-UHFFFAOYSA-N -1 3 376.417 0.533 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000824745029 607918044 /nfs/dbraw/zinc/91/80/44/607918044.db2.gz KYHSKOZUOHRNRD-NSHDSACASA-N -1 3 379.442 0.575 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000824745029 607918045 /nfs/dbraw/zinc/91/80/45/607918045.db2.gz KYHSKOZUOHRNRD-NSHDSACASA-N -1 3 379.442 0.575 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCC1CCS(=O)(=O)CC1 ZINC000826175261 607918446 /nfs/dbraw/zinc/91/84/46/607918446.db2.gz YLTIKPRJOTXFTJ-UHFFFAOYSA-N -1 3 395.441 0.195 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCC1CCS(=O)(=O)CC1 ZINC000826175261 607918447 /nfs/dbraw/zinc/91/84/47/607918447.db2.gz YLTIKPRJOTXFTJ-UHFFFAOYSA-N -1 3 395.441 0.195 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCC1CCS(=O)(=O)CC1 ZINC000826420225 607918800 /nfs/dbraw/zinc/91/88/00/607918800.db2.gz DDUQLEOMNHVTQH-UHFFFAOYSA-N -1 3 381.483 0.900 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCC1CCS(=O)(=O)CC1 ZINC000826420225 607918801 /nfs/dbraw/zinc/91/88/01/607918801.db2.gz DDUQLEOMNHVTQH-UHFFFAOYSA-N -1 3 381.483 0.900 20 0 GCADHM COCCCNC(=O)CN(C)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000826156620 607920681 /nfs/dbraw/zinc/92/06/81/607920681.db2.gz MIYOXOJVXKJXBV-UHFFFAOYSA-N -1 3 376.417 0.238 20 0 GCADHM COCCCNC(=O)CN(C)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000826156620 607920682 /nfs/dbraw/zinc/92/06/82/607920682.db2.gz MIYOXOJVXKJXBV-UHFFFAOYSA-N -1 3 376.417 0.238 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000826083366 607925593 /nfs/dbraw/zinc/92/55/93/607925593.db2.gz JSZBYHJFSMFTKA-LBPRGKRZSA-N -1 3 394.457 0.167 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)C1 ZINC000826083366 607925594 /nfs/dbraw/zinc/92/55/94/607925594.db2.gz JSZBYHJFSMFTKA-LBPRGKRZSA-N -1 3 394.457 0.167 20 0 GCADHM Cn1ccnc1[C@H]1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826364413 607928272 /nfs/dbraw/zinc/92/82/72/607928272.db2.gz VRRLWVRCMMBTAX-LBPRGKRZSA-N -1 3 382.432 0.606 20 0 GCADHM Cn1ccnc1[C@H]1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826364413 607928273 /nfs/dbraw/zinc/92/82/73/607928273.db2.gz VRRLWVRCMMBTAX-LBPRGKRZSA-N -1 3 382.432 0.606 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825213411 607929396 /nfs/dbraw/zinc/92/93/96/607929396.db2.gz XNLZWEQWIQUCDZ-CJNGLKHVSA-N -1 3 399.455 0.360 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825213411 607929397 /nfs/dbraw/zinc/92/93/97/607929397.db2.gz XNLZWEQWIQUCDZ-CJNGLKHVSA-N -1 3 399.455 0.360 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](c3nccn3C)C2)c1-c1nnn[n-]1 ZINC000826299118 607929540 /nfs/dbraw/zinc/92/95/40/607929540.db2.gz RNHHLQPSHCFVES-GFCCVEGCSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](c3nccn3C)C2)c1-c1nn[n-]n1 ZINC000826299118 607929541 /nfs/dbraw/zinc/92/95/41/607929541.db2.gz RNHHLQPSHCFVES-GFCCVEGCSA-N -1 3 380.412 0.863 20 0 GCADHM CCCCN(CCO)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825284897 607932201 /nfs/dbraw/zinc/93/22/01/607932201.db2.gz BWCBSIBEDJQDAM-GFCCVEGCSA-N -1 3 396.473 0.155 20 0 GCADHM CCCCN(CCO)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825284897 607932202 /nfs/dbraw/zinc/93/22/02/607932202.db2.gz BWCBSIBEDJQDAM-GFCCVEGCSA-N -1 3 396.473 0.155 20 0 GCADHM CCCc1nccn1CC(=O)N1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1 ZINC000825351389 607932428 /nfs/dbraw/zinc/93/24/28/607932428.db2.gz CMMHQIIBZWSBHF-UHFFFAOYSA-N -1 3 385.432 0.661 20 0 GCADHM CCCc1nccn1CC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000825351389 607932429 /nfs/dbraw/zinc/93/24/29/607932429.db2.gz CMMHQIIBZWSBHF-UHFFFAOYSA-N -1 3 385.432 0.661 20 0 GCADHM O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826494780 607934454 /nfs/dbraw/zinc/93/44/54/607934454.db2.gz OWCXPYKZFOBMEF-UHFFFAOYSA-N -1 3 395.408 0.594 20 0 GCADHM O=S(=O)(c1ccc(-n2cnnn2)cc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826494780 607934455 /nfs/dbraw/zinc/93/44/55/607934455.db2.gz OWCXPYKZFOBMEF-UHFFFAOYSA-N -1 3 395.408 0.594 20 0 GCADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824450072 607937112 /nfs/dbraw/zinc/93/71/12/607937112.db2.gz RMSCLFCZHMQIPT-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824450072 607937113 /nfs/dbraw/zinc/93/71/13/607937113.db2.gz RMSCLFCZHMQIPT-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824449001 607937185 /nfs/dbraw/zinc/93/71/85/607937185.db2.gz LXOTYVQFQJISBA-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824449001 607937186 /nfs/dbraw/zinc/93/71/86/607937186.db2.gz LXOTYVQFQJISBA-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCc2n[nH]cc2C1 ZINC000826431755 607937520 /nfs/dbraw/zinc/93/75/20/607937520.db2.gz JNCNDPNFCUTYCH-GFCCVEGCSA-N -1 3 393.455 0.875 20 0 GCADHM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cn1 ZINC000826358785 607938117 /nfs/dbraw/zinc/93/81/17/607938117.db2.gz IKDINBUVFGDSKW-LLVKDONJSA-N -1 3 383.821 0.266 20 0 GCADHM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000826358785 607938118 /nfs/dbraw/zinc/93/81/18/607938118.db2.gz IKDINBUVFGDSKW-LLVKDONJSA-N -1 3 383.821 0.266 20 0 GCADHM Cn1c(=O)cccc1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000826355361 607940859 /nfs/dbraw/zinc/94/08/59/607940859.db2.gz VZTJLFKPMMOJEI-UHFFFAOYSA-N -1 3 395.423 0.779 20 0 GCADHM Cn1c(=O)cccc1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000826355361 607940860 /nfs/dbraw/zinc/94/08/60/607940860.db2.gz VZTJLFKPMMOJEI-UHFFFAOYSA-N -1 3 395.423 0.779 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC(OCCO)CC2)c(-c2nnn[n-]2)c1C ZINC000826341658 607942169 /nfs/dbraw/zinc/94/21/69/607942169.db2.gz MWTXCOSOTZLTNT-LLVKDONJSA-N -1 3 378.433 0.877 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC(OCCO)CC2)c(-c2nn[n-]n2)c1C ZINC000826341658 607942170 /nfs/dbraw/zinc/94/21/70/607942170.db2.gz MWTXCOSOTZLTNT-LLVKDONJSA-N -1 3 378.433 0.877 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000826359013 607944309 /nfs/dbraw/zinc/94/43/09/607944309.db2.gz RPEAKYIFDWHSJA-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000826359013 607944310 /nfs/dbraw/zinc/94/43/10/607944310.db2.gz RPEAKYIFDWHSJA-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCC(OCCO)CC1 ZINC000826450802 607945190 /nfs/dbraw/zinc/94/51/90/607945190.db2.gz DTGLWAIYFQPTRM-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCC(OCCO)CC1 ZINC000826450802 607945191 /nfs/dbraw/zinc/94/51/91/607945191.db2.gz DTGLWAIYFQPTRM-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM CC(C)[C@H](C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)N1CCCS1(=O)=O ZINC000824185128 607949982 /nfs/dbraw/zinc/94/99/82/607949982.db2.gz ROGDDWBWAYFCEP-OAHLLOKOSA-N -1 3 390.469 0.816 20 0 GCADHM CC(C)[C@H](C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)N1CCCS1(=O)=O ZINC000824185128 607949983 /nfs/dbraw/zinc/94/99/83/607949983.db2.gz ROGDDWBWAYFCEP-OAHLLOKOSA-N -1 3 390.469 0.816 20 0 GCADHM O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399055 607951230 /nfs/dbraw/zinc/95/12/30/607951230.db2.gz LRCHDOBBIONJHL-INIZCTEOSA-N -1 3 397.420 0.486 20 0 GCADHM O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399055 607951231 /nfs/dbraw/zinc/95/12/31/607951231.db2.gz LRCHDOBBIONJHL-INIZCTEOSA-N -1 3 397.420 0.486 20 0 GCADHM O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473674 607953662 /nfs/dbraw/zinc/95/36/62/607953662.db2.gz ISFUMIBMEXWMEC-UHFFFAOYSA-N -1 3 375.348 0.599 20 0 GCADHM O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473674 607953663 /nfs/dbraw/zinc/95/36/63/607953663.db2.gz ISFUMIBMEXWMEC-UHFFFAOYSA-N -1 3 375.348 0.599 20 0 GCADHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000824071977 607955410 /nfs/dbraw/zinc/95/54/10/607955410.db2.gz PKMDIQPESJVHBG-ZDUSSCGKSA-N -1 3 378.458 0.720 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826363921 607958427 /nfs/dbraw/zinc/95/84/27/607958427.db2.gz FZUUKRMBACUMLL-CQSZACIVSA-N -1 3 387.469 0.863 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826363921 607958428 /nfs/dbraw/zinc/95/84/28/607958428.db2.gz FZUUKRMBACUMLL-CQSZACIVSA-N -1 3 387.469 0.863 20 0 GCADHM CS(=O)(=O)CC1(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000826222100 607958538 /nfs/dbraw/zinc/95/85/38/607958538.db2.gz IKQWTRJQEZFKRD-UHFFFAOYSA-N -1 3 376.486 0.814 20 0 GCADHM CS(=O)(=O)CC1(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000826222100 607958539 /nfs/dbraw/zinc/95/85/39/607958539.db2.gz IKQWTRJQEZFKRD-UHFFFAOYSA-N -1 3 376.486 0.814 20 0 GCADHM O=S1(=O)CCC(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)CC1 ZINC000826497078 607959070 /nfs/dbraw/zinc/95/90/70/607959070.db2.gz UCGXOWXYOHZJJS-UHFFFAOYSA-N -1 3 394.476 0.953 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000826355306 607960007 /nfs/dbraw/zinc/96/00/07/607960007.db2.gz SSRSLLNWVPLSLL-NSHDSACASA-N -1 3 386.393 0.589 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000826355306 607960008 /nfs/dbraw/zinc/96/00/08/607960008.db2.gz SSRSLLNWVPLSLL-NSHDSACASA-N -1 3 386.393 0.589 20 0 GCADHM O=C(COC(=O)[C@H]1CCc2n[nH]cc2C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826415427 607960351 /nfs/dbraw/zinc/96/03/51/607960351.db2.gz FLUSRTWTHHEYKO-ZDUSSCGKSA-N -1 3 381.396 0.554 20 0 GCADHM O=C(COC(=O)[C@@H]1CCc2n[nH]cc2C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826415524 607960441 /nfs/dbraw/zinc/96/04/41/607960441.db2.gz JDQRURCHCROWOZ-CYBMUJFWSA-N -1 3 381.396 0.554 20 0 GCADHM NC(=O)COc1ccccc1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826391413 607960468 /nfs/dbraw/zinc/96/04/68/607960468.db2.gz JYYAOPQVXYUPPW-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM NC(=O)COc1ccccc1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826391413 607960469 /nfs/dbraw/zinc/96/04/69/607960469.db2.gz JYYAOPQVXYUPPW-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(-c3nnn[n-]3)cn1)C2=O ZINC000824874293 607962134 /nfs/dbraw/zinc/96/21/34/607962134.db2.gz BVLQEYLVTZZFSA-GHMZBOCLSA-N -1 3 398.427 0.947 20 0 GCADHM C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(-c3nn[n-]n3)cn1)C2=O ZINC000824874293 607962135 /nfs/dbraw/zinc/96/21/35/607962135.db2.gz BVLQEYLVTZZFSA-GHMZBOCLSA-N -1 3 398.427 0.947 20 0 GCADHM C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824523292 607964098 /nfs/dbraw/zinc/96/40/98/607964098.db2.gz ZDJKKCPSMPSPHT-VIFPVBQESA-N -1 3 377.368 0.499 20 0 GCADHM C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824523292 607964099 /nfs/dbraw/zinc/96/40/99/607964099.db2.gz ZDJKKCPSMPSPHT-VIFPVBQESA-N -1 3 377.368 0.499 20 0 GCADHM CCOC(=O)CC(=O)CSCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825498795 607965396 /nfs/dbraw/zinc/96/53/96/607965396.db2.gz CQHDXQQKUBQUDF-UHFFFAOYSA-N -1 3 398.466 0.896 20 0 GCADHM CCOC(=O)CC(=O)CSCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825498795 607965397 /nfs/dbraw/zinc/96/53/97/607965397.db2.gz CQHDXQQKUBQUDF-UHFFFAOYSA-N -1 3 398.466 0.896 20 0 GCADHM O=C(c1cnco1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826475057 607966056 /nfs/dbraw/zinc/96/60/56/607966056.db2.gz QQLGXKHFLXPXFQ-UHFFFAOYSA-N -1 3 389.397 0.001 20 0 GCADHM O=C(c1cnco1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826475057 607966057 /nfs/dbraw/zinc/96/60/57/607966057.db2.gz QQLGXKHFLXPXFQ-UHFFFAOYSA-N -1 3 389.397 0.001 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000825799251 607966228 /nfs/dbraw/zinc/96/62/28/607966228.db2.gz GRWOVIZUVLMVCH-UHFFFAOYSA-N -1 3 381.400 0.010 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000825799251 607966229 /nfs/dbraw/zinc/96/62/29/607966229.db2.gz GRWOVIZUVLMVCH-UHFFFAOYSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@](O)(CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824680019 607967745 /nfs/dbraw/zinc/96/77/45/607967745.db2.gz XWEIDCQGULKBPD-INIZCTEOSA-N -1 3 392.416 0.973 20 0 GCADHM C[C@](O)(CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824680019 607967746 /nfs/dbraw/zinc/96/77/46/607967746.db2.gz XWEIDCQGULKBPD-INIZCTEOSA-N -1 3 392.416 0.973 20 0 GCADHM O=c1n(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)nc2cnccn21 ZINC000826501823 607971364 /nfs/dbraw/zinc/97/13/64/607971364.db2.gz ITBGIQLPPQFQSF-UHFFFAOYSA-N -1 3 393.411 0.572 20 0 GCADHM COC(=O)[C@]1(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCSC1 ZINC000826124117 607973292 /nfs/dbraw/zinc/97/32/92/607973292.db2.gz PBPVDTXFMHNRLE-ZDUSSCGKSA-N -1 3 387.418 0.333 20 0 GCADHM COC(=O)[C@]1(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCSC1 ZINC000826124117 607973293 /nfs/dbraw/zinc/97/32/93/607973293.db2.gz PBPVDTXFMHNRLE-ZDUSSCGKSA-N -1 3 387.418 0.333 20 0 GCADHM COC(=O)[C@]1(NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CCSC1 ZINC000826125012 607973666 /nfs/dbraw/zinc/97/36/66/607973666.db2.gz ZLWPWPOWSZEGJY-AWEZNQCLSA-N -1 3 383.455 0.502 20 0 GCADHM COC(=O)[C@]1(NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CCSC1 ZINC000826125012 607973667 /nfs/dbraw/zinc/97/36/67/607973667.db2.gz ZLWPWPOWSZEGJY-AWEZNQCLSA-N -1 3 383.455 0.502 20 0 GCADHM CN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825888929 607975836 /nfs/dbraw/zinc/97/58/36/607975836.db2.gz ZJZOXDVCXSZYFK-SNVBAGLBSA-N -1 3 390.347 0.395 20 0 GCADHM CN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825888929 607975837 /nfs/dbraw/zinc/97/58/37/607975837.db2.gz ZJZOXDVCXSZYFK-SNVBAGLBSA-N -1 3 390.347 0.395 20 0 GCADHM C[C@H](Oc1cccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000824745092 607981506 /nfs/dbraw/zinc/98/15/06/607981506.db2.gz MCYAOTDXTXEDMO-GXTWGEPZSA-N -1 3 399.407 0.938 20 0 GCADHM CCc1onc(C)c1NC(=O)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825776803 607981992 /nfs/dbraw/zinc/98/19/92/607981992.db2.gz KWGAOLNFGIEDQN-UHFFFAOYSA-N -1 3 385.384 0.989 20 0 GCADHM CCc1onc(C)c1NC(=O)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825776803 607981993 /nfs/dbraw/zinc/98/19/93/607981993.db2.gz KWGAOLNFGIEDQN-UHFFFAOYSA-N -1 3 385.384 0.989 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCC[C@@H](C)CO ZINC000825621695 607982432 /nfs/dbraw/zinc/98/24/32/607982432.db2.gz XPMBAOGTFOIGHF-LLVKDONJSA-N -1 3 376.417 0.729 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCC[C@@H](C)CO ZINC000825621695 607982433 /nfs/dbraw/zinc/98/24/33/607982433.db2.gz XPMBAOGTFOIGHF-LLVKDONJSA-N -1 3 376.417 0.729 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)CC(C)(CO)CO ZINC000824052272 607985134 /nfs/dbraw/zinc/98/51/34/607985134.db2.gz MMMXDDYEALWWKI-SNVBAGLBSA-N -1 3 394.501 0.667 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)CC(C)(CO)CO ZINC000824052272 607985136 /nfs/dbraw/zinc/98/51/36/607985136.db2.gz MMMXDDYEALWWKI-SNVBAGLBSA-N -1 3 394.501 0.667 20 0 GCADHM COCC(=O)N(C)CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826147659 607985412 /nfs/dbraw/zinc/98/54/12/607985412.db2.gz GROXJJSZXPQGQJ-UHFFFAOYSA-N -1 3 387.444 0.057 20 0 GCADHM COCC(=O)N(C)CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826147659 607985413 /nfs/dbraw/zinc/98/54/13/607985413.db2.gz GROXJJSZXPQGQJ-UHFFFAOYSA-N -1 3 387.444 0.057 20 0 GCADHM CCS(=O)(=O)CCN(C)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825663454 607991687 /nfs/dbraw/zinc/99/16/87/607991687.db2.gz PBKNMYPCACQMGR-UHFFFAOYSA-N -1 3 387.487 0.007 20 0 GCADHM CCS(=O)(=O)CCN(C)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825663454 607991688 /nfs/dbraw/zinc/99/16/88/607991688.db2.gz PBKNMYPCACQMGR-UHFFFAOYSA-N -1 3 387.487 0.007 20 0 GCADHM NC(=O)[C@H]1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000826389805 607993494 /nfs/dbraw/zinc/99/34/94/607993494.db2.gz IYLJIGKURIVPOC-INIZCTEOSA-N -1 3 391.435 0.962 20 0 GCADHM NC(=O)[C@H]1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000826389805 607993495 /nfs/dbraw/zinc/99/34/95/607993495.db2.gz IYLJIGKURIVPOC-INIZCTEOSA-N -1 3 391.435 0.962 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CN(C)C(=O)COC)cc1-c1nnn[n-]1 ZINC000825532842 607995375 /nfs/dbraw/zinc/99/53/75/607995375.db2.gz XTFUASCEIBNLCD-UHFFFAOYSA-N -1 3 391.388 0.478 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CN(C)C(=O)COC)cc1-c1nn[n-]n1 ZINC000825532842 607995376 /nfs/dbraw/zinc/99/53/76/607995376.db2.gz XTFUASCEIBNLCD-UHFFFAOYSA-N -1 3 391.388 0.478 20 0 GCADHM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826227260 608000860 /nfs/dbraw/zinc/00/08/60/608000860.db2.gz OKUQGDKTWKJVRW-RDDDGLTNSA-N -1 3 377.879 0.911 20 0 GCADHM CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826227260 608000861 /nfs/dbraw/zinc/00/08/61/608000861.db2.gz OKUQGDKTWKJVRW-RDDDGLTNSA-N -1 3 377.879 0.911 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCN([C@H]2CCOC2)CC1 ZINC000826486491 608000988 /nfs/dbraw/zinc/00/09/88/608000988.db2.gz DYSBMSKEIOQZCT-HNNXBMFYSA-N -1 3 378.458 0.103 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCOC2)CC1 ZINC000826486491 608000989 /nfs/dbraw/zinc/00/09/89/608000989.db2.gz DYSBMSKEIOQZCT-HNNXBMFYSA-N -1 3 378.458 0.103 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000826256204 608001082 /nfs/dbraw/zinc/00/10/82/608001082.db2.gz YRSOKMAGLLXOKV-CQSZACIVSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000826256204 608001083 /nfs/dbraw/zinc/00/10/83/608001083.db2.gz YRSOKMAGLLXOKV-CQSZACIVSA-N -1 3 378.458 0.270 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826429164 608001960 /nfs/dbraw/zinc/00/19/60/608001960.db2.gz VUDSBIJCCHMQRP-AWEZNQCLSA-N -1 3 394.432 0.579 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826429164 608001961 /nfs/dbraw/zinc/00/19/61/608001961.db2.gz VUDSBIJCCHMQRP-AWEZNQCLSA-N -1 3 394.432 0.579 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824908924 608002041 /nfs/dbraw/zinc/00/20/41/608002041.db2.gz ROXMNYFPSURPAP-KOLCDFICSA-N -1 3 382.421 0.421 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824908924 608002042 /nfs/dbraw/zinc/00/20/42/608002042.db2.gz ROXMNYFPSURPAP-KOLCDFICSA-N -1 3 382.421 0.421 20 0 GCADHM C[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634253 608002260 /nfs/dbraw/zinc/00/22/60/608002260.db2.gz UPHZOELRWNSDLS-GFCCVEGCSA-N -1 3 394.457 0.601 20 0 GCADHM C[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634253 608002261 /nfs/dbraw/zinc/00/22/61/608002261.db2.gz UPHZOELRWNSDLS-GFCCVEGCSA-N -1 3 394.457 0.601 20 0 GCADHM COC(=O)[C@]1(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)CCSC1 ZINC000826123349 608006207 /nfs/dbraw/zinc/00/62/07/608006207.db2.gz DLKMDYALFGWKDU-HWPZZCPQSA-N -1 3 377.426 0.799 20 0 GCADHM COC(=O)[C@]1(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)CCSC1 ZINC000826123349 608006208 /nfs/dbraw/zinc/00/62/08/608006208.db2.gz DLKMDYALFGWKDU-HWPZZCPQSA-N -1 3 377.426 0.799 20 0 GCADHM COC(=O)[C@@]1(NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)CCSC1 ZINC000826124106 608007123 /nfs/dbraw/zinc/00/71/23/608007123.db2.gz OQGQSLOMQMDVGP-MRXNPFEDSA-N -1 3 393.425 0.419 20 0 GCADHM COC(=O)[C@@]1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)CCSC1 ZINC000826124106 608007124 /nfs/dbraw/zinc/00/71/24/608007124.db2.gz OQGQSLOMQMDVGP-MRXNPFEDSA-N -1 3 393.425 0.419 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)Oc1ccc(F)cc1 ZINC000826102965 608007147 /nfs/dbraw/zinc/00/71/47/608007147.db2.gz BICUQBVZFWRGJN-AWEZNQCLSA-N -1 3 386.343 0.751 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)Oc1ccc(F)cc1 ZINC000826102965 608007148 /nfs/dbraw/zinc/00/71/48/608007148.db2.gz BICUQBVZFWRGJN-AWEZNQCLSA-N -1 3 386.343 0.751 20 0 GCADHM COC[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C(N)=O ZINC000826150595 608008457 /nfs/dbraw/zinc/00/84/57/608008457.db2.gz HWWWNRRLAJYCLQ-MRXNPFEDSA-N -1 3 396.407 0.676 20 0 GCADHM COC[C@@H](NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C(N)=O ZINC000826150595 608008458 /nfs/dbraw/zinc/00/84/58/608008458.db2.gz HWWWNRRLAJYCLQ-MRXNPFEDSA-N -1 3 396.407 0.676 20 0 GCADHM COC[C@@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000826150529 608009373 /nfs/dbraw/zinc/00/93/73/608009373.db2.gz GTTKCOFQOGOPMJ-OAHLLOKOSA-N -1 3 381.396 0.840 20 0 GCADHM CN(C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCNC1=O ZINC000825834549 608011153 /nfs/dbraw/zinc/01/11/53/608011153.db2.gz YNCOPCVFGUQSPF-CQSZACIVSA-N -1 3 382.380 0.999 20 0 GCADHM CN(C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCNC1=O ZINC000825834549 608011154 /nfs/dbraw/zinc/01/11/54/608011154.db2.gz YNCOPCVFGUQSPF-CQSZACIVSA-N -1 3 382.380 0.999 20 0 GCADHM CN(C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)[C@H]1CCNC1=O ZINC000825834548 608011229 /nfs/dbraw/zinc/01/12/29/608011229.db2.gz YNCOPCVFGUQSPF-AWEZNQCLSA-N -1 3 382.380 0.999 20 0 GCADHM CN(C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)[C@H]1CCNC1=O ZINC000825834548 608011230 /nfs/dbraw/zinc/01/12/30/608011230.db2.gz YNCOPCVFGUQSPF-AWEZNQCLSA-N -1 3 382.380 0.999 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000826432600 608012485 /nfs/dbraw/zinc/01/24/85/608012485.db2.gz GCZWRUAIJAKYML-DGCLKSJQSA-N -1 3 398.345 0.511 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000826432600 608012486 /nfs/dbraw/zinc/01/24/86/608012486.db2.gz GCZWRUAIJAKYML-DGCLKSJQSA-N -1 3 398.345 0.511 20 0 GCADHM CCCCS(=O)(=O)NCC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000825296458 608030441 /nfs/dbraw/zinc/03/04/41/608030441.db2.gz JUDZGYYNMNMCFO-UHFFFAOYSA-N -1 3 392.441 0.882 20 0 GCADHM CCCCS(=O)(=O)NCC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000825296458 608030442 /nfs/dbraw/zinc/03/04/42/608030442.db2.gz JUDZGYYNMNMCFO-UHFFFAOYSA-N -1 3 392.441 0.882 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1nc2cc[nH]cc-2n1 ZINC000826419658 608030535 /nfs/dbraw/zinc/03/05/35/608030535.db2.gz GULWMVMTBLWWPA-UHFFFAOYSA-N -1 3 398.408 0.692 20 0 GCADHM CS(=O)(=O)CCn1cccc(NC(=O)c2sccc2-c2nn[n-]n2)c1=O ZINC000826222628 608031257 /nfs/dbraw/zinc/03/12/57/608031257.db2.gz FGNNLTXERSUAHW-UHFFFAOYSA-N -1 3 394.438 0.387 20 0 GCADHM O=S1(=O)CC[C@H](CCN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC000826495884 608033258 /nfs/dbraw/zinc/03/32/58/608033258.db2.gz FPZXYIVXPQNAAB-ZDUSSCGKSA-N -1 3 394.476 0.953 20 0 GCADHM CCOC(=O)c1nc(CN(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000825570539 608034150 /nfs/dbraw/zinc/03/41/50/608034150.db2.gz KZWQQPOLJLPULC-UHFFFAOYSA-N -1 3 391.461 0.870 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cn(-c2ccccc2)nn1 ZINC000825933784 608034282 /nfs/dbraw/zinc/03/42/82/608034282.db2.gz GDQVEJWAILQIOK-UHFFFAOYSA-N -1 3 379.432 0.817 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cn(-c2ccccc2)nn1 ZINC000825933784 608034283 /nfs/dbraw/zinc/03/42/83/608034283.db2.gz GDQVEJWAILQIOK-UHFFFAOYSA-N -1 3 379.432 0.817 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1nc(CC(F)(F)F)no1 ZINC000825938433 608034643 /nfs/dbraw/zinc/03/46/43/608034643.db2.gz TULGOYWFVUCINW-UHFFFAOYSA-N -1 3 386.342 0.724 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1nc(CC(F)(F)F)no1 ZINC000825938433 608034644 /nfs/dbraw/zinc/03/46/44/608034644.db2.gz TULGOYWFVUCINW-UHFFFAOYSA-N -1 3 386.342 0.724 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1nc2ccccc2c(=O)n1C ZINC000825937666 608035600 /nfs/dbraw/zinc/03/56/00/608035600.db2.gz GXSVBYOEJLVMHX-UHFFFAOYSA-N -1 3 394.443 0.484 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1nc2ccccc2c(=O)n1C ZINC000825937666 608035601 /nfs/dbraw/zinc/03/56/01/608035601.db2.gz GXSVBYOEJLVMHX-UHFFFAOYSA-N -1 3 394.443 0.484 20 0 GCADHM CCO[C@@H](C)c1noc(CN(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000825576319 608037117 /nfs/dbraw/zinc/03/71/17/608037117.db2.gz DNVJZDBHUJICHX-VIFPVBQESA-N -1 3 376.425 0.717 20 0 GCADHM CCO[C@@H](C)c1noc(CN(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)n1 ZINC000825576319 608037118 /nfs/dbraw/zinc/03/71/18/608037118.db2.gz DNVJZDBHUJICHX-VIFPVBQESA-N -1 3 376.425 0.717 20 0 GCADHM COCCN(Cc1cc(-c2nn[n-]n2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000826158555 608037548 /nfs/dbraw/zinc/03/75/48/608037548.db2.gz UDMKCXPVIHCVJH-CQSZACIVSA-N -1 3 381.458 0.511 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000824640179 608038608 /nfs/dbraw/zinc/03/86/08/608038608.db2.gz CDTMBURJBWWKFB-WDEREUQCSA-N -1 3 389.441 0.739 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000824640179 608038609 /nfs/dbraw/zinc/03/86/09/608038609.db2.gz CDTMBURJBWWKFB-WDEREUQCSA-N -1 3 389.441 0.739 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(F)(F)F ZINC000824670574 608038626 /nfs/dbraw/zinc/03/86/26/608038626.db2.gz RKBRAFFCNACUFS-LBPRGKRZSA-N -1 3 392.725 0.888 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)F ZINC000824670574 608038627 /nfs/dbraw/zinc/03/86/27/608038627.db2.gz RKBRAFFCNACUFS-LBPRGKRZSA-N -1 3 392.725 0.888 20 0 GCADHM CCOC(=O)C[C@@H](C)CNC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000825498806 608040112 /nfs/dbraw/zinc/04/01/12/608040112.db2.gz CTGYYOLZVLSBGZ-LLVKDONJSA-N -1 3 377.401 0.960 20 0 GCADHM CCOC(=O)C[C@@H](C)CNC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000825498806 608040113 /nfs/dbraw/zinc/04/01/13/608040113.db2.gz CTGYYOLZVLSBGZ-LLVKDONJSA-N -1 3 377.401 0.960 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@@](C)(O)C(F)(F)F ZINC000826174797 608042295 /nfs/dbraw/zinc/04/22/95/608042295.db2.gz JTKFFPCIYPSFJG-CYBMUJFWSA-N -1 3 375.307 0.684 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@](C)(O)C(F)(F)F ZINC000826174797 608042296 /nfs/dbraw/zinc/04/22/96/608042296.db2.gz JTKFFPCIYPSFJG-CYBMUJFWSA-N -1 3 375.307 0.684 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1C[C@@H](O)C[C@@H]1C ZINC000826156964 608043366 /nfs/dbraw/zinc/04/33/66/608043366.db2.gz BQCNPWZIGCIRLD-FZMZJTMJSA-N -1 3 391.476 0.715 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN1C[C@@H](O)C[C@@H]1C ZINC000826156964 608043367 /nfs/dbraw/zinc/04/33/67/608043367.db2.gz BQCNPWZIGCIRLD-FZMZJTMJSA-N -1 3 391.476 0.715 20 0 GCADHM O=C(CN1CCn2c(nnc2C(F)F)C1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826411735 608044053 /nfs/dbraw/zinc/04/40/53/608044053.db2.gz KOZHOZKXRKZWSV-UHFFFAOYSA-N -1 3 389.370 0.528 20 0 GCADHM O=C(CN1CCn2c(nnc2C(F)F)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826411735 608044054 /nfs/dbraw/zinc/04/40/54/608044054.db2.gz KOZHOZKXRKZWSV-UHFFFAOYSA-N -1 3 389.370 0.528 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000826388607 608044660 /nfs/dbraw/zinc/04/46/60/608044660.db2.gz FFMLFFBYXOUCBM-GUYCJALGSA-N -1 3 386.456 0.911 20 0 GCADHM CCCCS(=O)(=O)NCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825296583 608046096 /nfs/dbraw/zinc/04/60/96/608046096.db2.gz PFGKACYMVUHTDP-UHFFFAOYSA-N -1 3 378.458 0.692 20 0 GCADHM CCCCS(=O)(=O)NCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825296583 608046097 /nfs/dbraw/zinc/04/60/97/608046097.db2.gz PFGKACYMVUHTDP-UHFFFAOYSA-N -1 3 378.458 0.692 20 0 GCADHM Cc1nc2ccnn2c(C)c1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826329193 608046890 /nfs/dbraw/zinc/04/68/90/608046890.db2.gz SWEOKLLBQFAQDP-UHFFFAOYSA-N -1 3 378.400 0.763 20 0 GCADHM Cc1nc2ccnn2c(C)c1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826329193 608046891 /nfs/dbraw/zinc/04/68/91/608046891.db2.gz SWEOKLLBQFAQDP-UHFFFAOYSA-N -1 3 378.400 0.763 20 0 GCADHM O=c1c2c(ncn1CCS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000826501187 608048418 /nfs/dbraw/zinc/04/84/18/608048418.db2.gz DFPBQMXJIHMXAW-UHFFFAOYSA-N -1 3 386.437 0.776 20 0 GCADHM O=c1c2c(ncn1CCS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000826501187 608048419 /nfs/dbraw/zinc/04/84/19/608048419.db2.gz DFPBQMXJIHMXAW-UHFFFAOYSA-N -1 3 386.437 0.776 20 0 GCADHM C[C@@H](NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)c1nncn1C ZINC000824488710 608048577 /nfs/dbraw/zinc/04/85/77/608048577.db2.gz HLYBPNNZZUPONG-RISCZKNCSA-N -1 3 383.416 0.839 20 0 GCADHM C[C@@H](NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)c1nncn1C ZINC000824488710 608048578 /nfs/dbraw/zinc/04/85/78/608048578.db2.gz HLYBPNNZZUPONG-RISCZKNCSA-N -1 3 383.416 0.839 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)c1nncn1C ZINC000824488711 608048717 /nfs/dbraw/zinc/04/87/17/608048717.db2.gz HLYBPNNZZUPONG-SMDDNHRTSA-N -1 3 383.416 0.839 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)c1nncn1C ZINC000824488711 608048718 /nfs/dbraw/zinc/04/87/18/608048718.db2.gz HLYBPNNZZUPONG-SMDDNHRTSA-N -1 3 383.416 0.839 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826083597 608051391 /nfs/dbraw/zinc/05/13/91/608051391.db2.gz OEPUTOWQMROOBI-SECBINFHSA-N -1 3 387.263 0.757 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000826362224 608055819 /nfs/dbraw/zinc/05/58/19/608055819.db2.gz IZSAPAZLXHVPTG-CQSZACIVSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000826362224 608055820 /nfs/dbraw/zinc/05/58/20/608055820.db2.gz IZSAPAZLXHVPTG-CQSZACIVSA-N -1 3 375.414 0.362 20 0 GCADHM COCCN(C)S(=O)(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826157720 608056268 /nfs/dbraw/zinc/05/62/68/608056268.db2.gz IJOPUOSJJJQNAL-AWEZNQCLSA-N -1 3 382.446 0.063 20 0 GCADHM COCCN(C)S(=O)(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826157720 608056269 /nfs/dbraw/zinc/05/62/69/608056269.db2.gz IJOPUOSJJJQNAL-AWEZNQCLSA-N -1 3 382.446 0.063 20 0 GCADHM COCCOCCS(=O)(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826160660 608056298 /nfs/dbraw/zinc/05/62/98/608056298.db2.gz AKNZWIQWGJVVLY-HNNXBMFYSA-N -1 3 397.457 0.233 20 0 GCADHM COCCOCCS(=O)(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826160660 608056299 /nfs/dbraw/zinc/05/62/99/608056299.db2.gz AKNZWIQWGJVVLY-HNNXBMFYSA-N -1 3 397.457 0.233 20 0 GCADHM O=S(=O)(CC1CCOCC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826484661 608056805 /nfs/dbraw/zinc/05/68/05/608056805.db2.gz KTKKUEYCVCKDQY-MRXNPFEDSA-N -1 3 393.469 0.996 20 0 GCADHM O=S(=O)(CC1CCOCC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826484661 608056806 /nfs/dbraw/zinc/05/68/06/608056806.db2.gz KTKKUEYCVCKDQY-MRXNPFEDSA-N -1 3 393.469 0.996 20 0 GCADHM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826102943 608057139 /nfs/dbraw/zinc/05/71/39/608057139.db2.gz AWFQZIHEOWBZTC-VIFPVBQESA-N -1 3 379.320 0.481 20 0 GCADHM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826102943 608057140 /nfs/dbraw/zinc/05/71/40/608057140.db2.gz AWFQZIHEOWBZTC-VIFPVBQESA-N -1 3 379.320 0.481 20 0 GCADHM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826103291 608057291 /nfs/dbraw/zinc/05/72/91/608057291.db2.gz FUPPASZHGJIUPL-VIFPVBQESA-N -1 3 375.357 0.650 20 0 GCADHM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826103291 608057292 /nfs/dbraw/zinc/05/72/92/608057292.db2.gz FUPPASZHGJIUPL-VIFPVBQESA-N -1 3 375.357 0.650 20 0 GCADHM CCN(CC)C(=O)CNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825406443 608062686 /nfs/dbraw/zinc/06/26/86/608062686.db2.gz OFUAGQIRQPRHAV-OAHLLOKOSA-N -1 3 387.444 0.818 20 0 GCADHM CCN(CC)C(=O)CNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825406443 608062687 /nfs/dbraw/zinc/06/26/87/608062687.db2.gz OFUAGQIRQPRHAV-OAHLLOKOSA-N -1 3 387.444 0.818 20 0 GCADHM CCN(CC)C(=O)CNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825406442 608062828 /nfs/dbraw/zinc/06/28/28/608062828.db2.gz OFUAGQIRQPRHAV-HNNXBMFYSA-N -1 3 387.444 0.818 20 0 GCADHM CCN(CC)C(=O)CNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825406442 608062829 /nfs/dbraw/zinc/06/28/29/608062829.db2.gz OFUAGQIRQPRHAV-HNNXBMFYSA-N -1 3 387.444 0.818 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824297693 608063375 /nfs/dbraw/zinc/06/33/75/608063375.db2.gz ZAXKYPBANJSPIE-HOTGVXAUSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824297693 608063376 /nfs/dbraw/zinc/06/33/76/608063376.db2.gz ZAXKYPBANJSPIE-HOTGVXAUSA-N -1 3 399.455 0.959 20 0 GCADHM CS(=O)(=O)CCCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826222588 608063568 /nfs/dbraw/zinc/06/35/68/608063568.db2.gz DAWWDCZTJWQSPV-AWEZNQCLSA-N -1 3 394.457 0.384 20 0 GCADHM CS(=O)(=O)CCCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826222588 608063569 /nfs/dbraw/zinc/06/35/69/608063569.db2.gz DAWWDCZTJWQSPV-AWEZNQCLSA-N -1 3 394.457 0.384 20 0 GCADHM O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826432617 608063788 /nfs/dbraw/zinc/06/37/88/608063788.db2.gz GMGVPUQEMPEBJK-HUUCEWRRSA-N -1 3 395.427 0.556 20 0 GCADHM O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826432617 608063789 /nfs/dbraw/zinc/06/37/89/608063789.db2.gz GMGVPUQEMPEBJK-HUUCEWRRSA-N -1 3 395.427 0.556 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncccc2F)CC1 ZINC000826388812 608066710 /nfs/dbraw/zinc/06/67/10/608066710.db2.gz JTSVOWQPIFFYQX-HNNXBMFYSA-N -1 3 382.403 0.749 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncccc2F)CC1 ZINC000826388812 608066711 /nfs/dbraw/zinc/06/67/11/608066711.db2.gz JTSVOWQPIFFYQX-HNNXBMFYSA-N -1 3 382.403 0.749 20 0 GCADHM Cn1cc(N2CC[C@H](N3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)C2=O)cn1 ZINC000826362035 608067595 /nfs/dbraw/zinc/06/75/95/608067595.db2.gz ARGKBQGCTUSZAR-DLBZAZTESA-N -1 3 394.439 0.779 20 0 GCADHM Cn1cc(N2CC[C@H](N3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)C2=O)cn1 ZINC000826362035 608067596 /nfs/dbraw/zinc/06/75/96/608067596.db2.gz ARGKBQGCTUSZAR-DLBZAZTESA-N -1 3 394.439 0.779 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1c2c(nn1C)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470515 608073089 /nfs/dbraw/zinc/07/30/89/608073089.db2.gz JDGOIWWVDCJAQU-JTQLQIEISA-N -1 3 380.412 0.905 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1c2c(nn1C)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470515 608073090 /nfs/dbraw/zinc/07/30/90/608073090.db2.gz JDGOIWWVDCJAQU-JTQLQIEISA-N -1 3 380.412 0.905 20 0 GCADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)N[C@H](C)CCO)c1C ZINC000826331253 608074624 /nfs/dbraw/zinc/07/46/24/608074624.db2.gz AHZFYNWYTGESAE-SNVBAGLBSA-N -1 3 398.427 0.495 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nn1C ZINC000826269706 608074695 /nfs/dbraw/zinc/07/46/95/608074695.db2.gz ULIXRAOVDINKFP-AWEZNQCLSA-N -1 3 396.411 0.447 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nn1C ZINC000826269706 608074696 /nfs/dbraw/zinc/07/46/96/608074696.db2.gz ULIXRAOVDINKFP-AWEZNQCLSA-N -1 3 396.411 0.447 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000824908208 608076248 /nfs/dbraw/zinc/07/62/48/608076248.db2.gz NPQRWYNVDWYDQX-NTZNESFSSA-N -1 3 395.441 0.644 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000824908208 608076249 /nfs/dbraw/zinc/07/62/49/608076249.db2.gz NPQRWYNVDWYDQX-NTZNESFSSA-N -1 3 395.441 0.644 20 0 GCADHM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)Cc1nccn1C ZINC000825892100 608079137 /nfs/dbraw/zinc/07/91/37/608079137.db2.gz FULDFPDBSVTHOE-UHFFFAOYSA-N -1 3 392.427 0.856 20 0 GCADHM CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825268791 608088345 /nfs/dbraw/zinc/08/83/45/608088345.db2.gz YLWMBEVMAGLSPY-CABCVRRESA-N -1 3 387.444 0.994 20 0 GCADHM CCCC[C@@H](NC(N)=O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825268791 608088346 /nfs/dbraw/zinc/08/83/46/608088346.db2.gz YLWMBEVMAGLSPY-CABCVRRESA-N -1 3 387.444 0.994 20 0 GCADHM COC(=O)[C@H](CC(F)F)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000826103153 608088599 /nfs/dbraw/zinc/08/85/99/608088599.db2.gz DDWYPSYOINAXCX-VIFPVBQESA-N -1 3 385.327 0.567 20 0 GCADHM COC(=O)[C@H](CC(F)F)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000826103153 608088600 /nfs/dbraw/zinc/08/86/00/608088600.db2.gz DDWYPSYOINAXCX-VIFPVBQESA-N -1 3 385.327 0.567 20 0 GCADHM O=C(Cc1nc2ncccn2n1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826424135 608089016 /nfs/dbraw/zinc/08/90/16/608089016.db2.gz XMGLZRYPFZTGEA-AWEZNQCLSA-N -1 3 391.395 0.447 20 0 GCADHM O=C(Cc1nc2ncccn2n1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826424135 608089017 /nfs/dbraw/zinc/08/90/17/608089017.db2.gz XMGLZRYPFZTGEA-AWEZNQCLSA-N -1 3 391.395 0.447 20 0 GCADHM NC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000826391770 608089642 /nfs/dbraw/zinc/08/96/42/608089642.db2.gz BAQYYQILCWPBSH-LSDHHAIUSA-N -1 3 385.428 0.557 20 0 GCADHM NC(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000826391770 608089643 /nfs/dbraw/zinc/08/96/43/608089643.db2.gz BAQYYQILCWPBSH-LSDHHAIUSA-N -1 3 385.428 0.557 20 0 GCADHM CNC(=O)[C@H](NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)C(C)C ZINC000826053785 608091100 /nfs/dbraw/zinc/09/11/00/608091100.db2.gz ZHOSKSRQDPYGDN-LSDHHAIUSA-N -1 3 387.444 0.720 20 0 GCADHM CNC(=O)[C@H](NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)C(C)C ZINC000826053785 608091101 /nfs/dbraw/zinc/09/11/01/608091101.db2.gz ZHOSKSRQDPYGDN-LSDHHAIUSA-N -1 3 387.444 0.720 20 0 GCADHM CNC(=O)[C@@H](NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)C(C)C ZINC000826053782 608091112 /nfs/dbraw/zinc/09/11/12/608091112.db2.gz ZHOSKSRQDPYGDN-CABCVRRESA-N -1 3 387.444 0.720 20 0 GCADHM CNC(=O)[C@@H](NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)C(C)C ZINC000826053782 608091113 /nfs/dbraw/zinc/09/11/13/608091113.db2.gz ZHOSKSRQDPYGDN-CABCVRRESA-N -1 3 387.444 0.720 20 0 GCADHM c1nc(-c2ccccn2)nn1CN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826519229 608096658 /nfs/dbraw/zinc/09/66/58/608096658.db2.gz PKXWRKQXJGDCNI-UHFFFAOYSA-N -1 3 389.427 0.695 20 0 GCADHM c1nc(-c2ccccn2)nn1CN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826519229 608096659 /nfs/dbraw/zinc/09/66/59/608096659.db2.gz PKXWRKQXJGDCNI-UHFFFAOYSA-N -1 3 389.427 0.695 20 0 GCADHM C[C@@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824713639 608101063 /nfs/dbraw/zinc/10/10/63/608101063.db2.gz JIHTWRKVAZQSHB-MNOVXSKESA-N -1 3 387.400 0.528 20 0 GCADHM C[C@@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824713639 608101064 /nfs/dbraw/zinc/10/10/64/608101064.db2.gz JIHTWRKVAZQSHB-MNOVXSKESA-N -1 3 387.400 0.528 20 0 GCADHM C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2sccc2-c2nnn[n-]2)C1=O ZINC000824852989 608102231 /nfs/dbraw/zinc/10/22/31/608102231.db2.gz UOPRNOSBHOYEDT-HNNXBMFYSA-N -1 3 387.381 0.927 20 0 GCADHM C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2sccc2-c2nn[n-]n2)C1=O ZINC000824852989 608102232 /nfs/dbraw/zinc/10/22/32/608102232.db2.gz UOPRNOSBHOYEDT-HNNXBMFYSA-N -1 3 387.381 0.927 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](NC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826231617 608103553 /nfs/dbraw/zinc/10/35/53/608103553.db2.gz SBRXZWAFSCBZFA-SECBINFHSA-N -1 3 388.457 0.744 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000824712492 608103607 /nfs/dbraw/zinc/10/36/07/608103607.db2.gz ACQMHIGERDNBPR-SNVBAGLBSA-N -1 3 375.385 0.870 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000824712492 608103608 /nfs/dbraw/zinc/10/36/08/608103608.db2.gz ACQMHIGERDNBPR-SNVBAGLBSA-N -1 3 375.385 0.870 20 0 GCADHM O=C1OCC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)CCN12 ZINC000826483391 608111851 /nfs/dbraw/zinc/11/18/51/608111851.db2.gz LUKRKLHUKOXTMT-SNVBAGLBSA-N -1 3 382.377 0.221 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)CCN12 ZINC000826483608 608111885 /nfs/dbraw/zinc/11/18/85/608111885.db2.gz TUMJDMFMLJFYAB-VIFPVBQESA-N -1 3 398.832 0.735 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(Cl)c3)CCN12 ZINC000826483608 608111886 /nfs/dbraw/zinc/11/18/86/608111886.db2.gz TUMJDMFMLJFYAB-VIFPVBQESA-N -1 3 398.832 0.735 20 0 GCADHM O=C1OCC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)CCN12 ZINC000826483319 608111891 /nfs/dbraw/zinc/11/18/91/608111891.db2.gz JMAAYIDRHIOETQ-SNVBAGLBSA-N -1 3 382.377 0.221 20 0 GCADHM O=C1OCC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)CCN12 ZINC000826483319 608111892 /nfs/dbraw/zinc/11/18/92/608111892.db2.gz JMAAYIDRHIOETQ-SNVBAGLBSA-N -1 3 382.377 0.221 20 0 GCADHM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CN1 ZINC000826479344 608111933 /nfs/dbraw/zinc/11/19/33/608111933.db2.gz WWINXFXMGSVVNM-GXTWGEPZSA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CN1 ZINC000826479344 608111934 /nfs/dbraw/zinc/11/19/34/608111934.db2.gz WWINXFXMGSVVNM-GXTWGEPZSA-N -1 3 376.442 0.546 20 0 GCADHM COc1ccc(CNC(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1-c1nnn[n-]1 ZINC000826198479 608114007 /nfs/dbraw/zinc/11/40/07/608114007.db2.gz ZKRDUROQOZXFNA-LBPRGKRZSA-N -1 3 387.400 0.611 20 0 GCADHM COc1ccc(CNC(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000826198479 608114008 /nfs/dbraw/zinc/11/40/08/608114008.db2.gz ZKRDUROQOZXFNA-LBPRGKRZSA-N -1 3 387.400 0.611 20 0 GCADHM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000824465465 608115253 /nfs/dbraw/zinc/11/52/53/608115253.db2.gz QACVUHUJALEDEM-NSHDSACASA-N -1 3 376.380 0.790 20 0 GCADHM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000824465465 608115254 /nfs/dbraw/zinc/11/52/54/608115254.db2.gz QACVUHUJALEDEM-NSHDSACASA-N -1 3 376.380 0.790 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000825957577 608115511 /nfs/dbraw/zinc/11/55/11/608115511.db2.gz CVZVHVFOOPIPQR-UHFFFAOYSA-N -1 3 377.368 0.281 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000825957577 608115512 /nfs/dbraw/zinc/11/55/12/608115512.db2.gz CVZVHVFOOPIPQR-UHFFFAOYSA-N -1 3 377.368 0.281 20 0 GCADHM Cc1nc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(=O)[nH]c1C ZINC000826323952 608121470 /nfs/dbraw/zinc/12/14/70/608121470.db2.gz YXCQRRBQWSOBOS-UHFFFAOYSA-N -1 3 380.412 0.529 20 0 GCADHM Cc1nc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(=O)[nH]c1C ZINC000826323952 608121471 /nfs/dbraw/zinc/12/14/71/608121471.db2.gz YXCQRRBQWSOBOS-UHFFFAOYSA-N -1 3 380.412 0.529 20 0 GCADHM Cc1nc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(=O)[nH]c1C ZINC000826323915 608121505 /nfs/dbraw/zinc/12/15/05/608121505.db2.gz XHQGTKICDXWNHK-UHFFFAOYSA-N -1 3 395.427 0.361 20 0 GCADHM Cc1nc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(=O)[nH]c1C ZINC000826323915 608121506 /nfs/dbraw/zinc/12/15/06/608121506.db2.gz XHQGTKICDXWNHK-UHFFFAOYSA-N -1 3 395.427 0.361 20 0 GCADHM O=C1NC2(CO1)CCN(S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000826482911 608125452 /nfs/dbraw/zinc/12/54/52/608125452.db2.gz URWQDRIWAPFUDZ-UHFFFAOYSA-N -1 3 382.377 0.269 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCN1c1cccnc1 ZINC000826476450 608125460 /nfs/dbraw/zinc/12/54/60/608125460.db2.gz HWQCOILHZMAIMW-OAHLLOKOSA-N -1 3 399.436 0.736 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCN1c1cccnc1 ZINC000826476450 608125461 /nfs/dbraw/zinc/12/54/61/608125461.db2.gz HWQCOILHZMAIMW-OAHLLOKOSA-N -1 3 399.436 0.736 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCOCC2(CCOCC2)C1 ZINC000826486413 608128897 /nfs/dbraw/zinc/12/88/97/608128897.db2.gz BKYWHUZHDXAVNL-UHFFFAOYSA-N -1 3 393.469 0.826 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCOCC2(CCOCC2)C1 ZINC000826486413 608128898 /nfs/dbraw/zinc/12/88/98/608128898.db2.gz BKYWHUZHDXAVNL-UHFFFAOYSA-N -1 3 393.469 0.826 20 0 GCADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824449943 608130151 /nfs/dbraw/zinc/13/01/51/608130151.db2.gz RAQJPCGQBSKWTQ-QDXKXIGTSA-N -1 3 377.474 0.465 20 0 GCADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824449943 608130152 /nfs/dbraw/zinc/13/01/52/608130152.db2.gz RAQJPCGQBSKWTQ-QDXKXIGTSA-N -1 3 377.474 0.465 20 0 GCADHM CC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825043411 608139669 /nfs/dbraw/zinc/13/96/69/608139669.db2.gz HJYAHOTYEAUVGZ-KRWDZBQOSA-N -1 3 392.416 0.108 20 0 GCADHM CC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825043411 608139670 /nfs/dbraw/zinc/13/96/70/608139670.db2.gz HJYAHOTYEAUVGZ-KRWDZBQOSA-N -1 3 392.416 0.108 20 0 GCADHM O=C(NCCCn1ccnn1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826437562 608144317 /nfs/dbraw/zinc/14/43/17/608144317.db2.gz QSTAMWKNJRTOHG-UHFFFAOYSA-N -1 3 375.780 0.257 20 0 GCADHM O=C(NCCCn1ccnn1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826437562 608144318 /nfs/dbraw/zinc/14/43/18/608144318.db2.gz QSTAMWKNJRTOHG-UHFFFAOYSA-N -1 3 375.780 0.257 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)C[S@](C)=O ZINC000825621641 608144784 /nfs/dbraw/zinc/14/47/84/608144784.db2.gz WIALPEUGBFMFEK-BGGANLFTSA-N -1 3 380.430 0.087 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)C[S@](C)=O ZINC000825621641 608144785 /nfs/dbraw/zinc/14/47/85/608144785.db2.gz WIALPEUGBFMFEK-BGGANLFTSA-N -1 3 380.430 0.087 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826482165 608145107 /nfs/dbraw/zinc/14/51/07/608145107.db2.gz ULROUOVJNGYMBZ-UHFFFAOYSA-N -1 3 389.347 0.045 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826482165 608145108 /nfs/dbraw/zinc/14/51/08/608145108.db2.gz ULROUOVJNGYMBZ-UHFFFAOYSA-N -1 3 389.347 0.045 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824098890 608145209 /nfs/dbraw/zinc/14/52/09/608145209.db2.gz DGJYZSLNEUIEFC-HJWRWDBZSA-N -1 3 387.396 0.881 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824098890 608145210 /nfs/dbraw/zinc/14/52/10/608145210.db2.gz DGJYZSLNEUIEFC-HJWRWDBZSA-N -1 3 387.396 0.881 20 0 GCADHM O=C(NC[C@@H](O)CCc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826432640 608146722 /nfs/dbraw/zinc/14/67/22/608146722.db2.gz HECAYDNMQBEDMD-INIZCTEOSA-N -1 3 380.408 0.915 20 0 GCADHM O=C(NC[C@@H](O)CCc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826432640 608146723 /nfs/dbraw/zinc/14/67/23/608146723.db2.gz HECAYDNMQBEDMD-INIZCTEOSA-N -1 3 380.408 0.915 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCCN1CCOCC1=O ZINC000826420592 608147022 /nfs/dbraw/zinc/14/70/22/608147022.db2.gz TVRGYUVXXTXDBI-UHFFFAOYSA-N -1 3 377.426 0.502 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCCN1CCOCC1=O ZINC000826420592 608147023 /nfs/dbraw/zinc/14/70/23/608147023.db2.gz TVRGYUVXXTXDBI-UHFFFAOYSA-N -1 3 377.426 0.502 20 0 GCADHM O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826489624 608159406 /nfs/dbraw/zinc/15/94/06/608159406.db2.gz VZHVDMLQEXGPTF-BONVTDFDSA-N -1 3 383.405 0.622 20 0 GCADHM O=S(=O)(N[C@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826489624 608159407 /nfs/dbraw/zinc/15/94/07/608159407.db2.gz VZHVDMLQEXGPTF-BONVTDFDSA-N -1 3 383.405 0.622 20 0 GCADHM C[C@@H]1C[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCO1 ZINC000824882597 608163934 /nfs/dbraw/zinc/16/39/34/608163934.db2.gz CGKDBOOSUVAPJX-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H]1C[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCO1 ZINC000824882597 608163936 /nfs/dbraw/zinc/16/39/36/608163936.db2.gz CGKDBOOSUVAPJX-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM COc1ccc(CNC(=O)c2cnc3c(c2)NC(=O)CO3)cc1-c1nnn[n-]1 ZINC000826201430 608164486 /nfs/dbraw/zinc/16/44/86/608164486.db2.gz PBDCJBGMTMOILJ-UHFFFAOYSA-N -1 3 381.352 0.531 20 0 GCADHM COc1ccc(CNC(=O)c2cnc3c(c2)NC(=O)CO3)cc1-c1nn[n-]n1 ZINC000826201430 608164487 /nfs/dbraw/zinc/16/44/87/608164487.db2.gz PBDCJBGMTMOILJ-UHFFFAOYSA-N -1 3 381.352 0.531 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476451 608167736 /nfs/dbraw/zinc/16/77/36/608167736.db2.gz KPNVOGLJIOIEGI-FZMZJTMJSA-N -1 3 394.457 0.174 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000825476471 608167961 /nfs/dbraw/zinc/16/79/61/608167961.db2.gz LCPGKKFAPIHVKS-MEJMFZKBSA-N -1 3 376.442 0.420 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000825476471 608167963 /nfs/dbraw/zinc/16/79/63/608167963.db2.gz LCPGKKFAPIHVKS-MEJMFZKBSA-N -1 3 376.442 0.420 20 0 GCADHM Cc1cnc([C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)o1 ZINC000826317483 608168999 /nfs/dbraw/zinc/16/89/99/608168999.db2.gz DVFSOQYEFITUER-SNVBAGLBSA-N -1 3 392.397 0.746 20 0 GCADHM Cc1cnc([C@@H](C)OC(=O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)o1 ZINC000826317483 608169001 /nfs/dbraw/zinc/16/90/01/608169001.db2.gz DVFSOQYEFITUER-SNVBAGLBSA-N -1 3 392.397 0.746 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825897207 608169103 /nfs/dbraw/zinc/16/91/03/608169103.db2.gz DKZGORABUJQTAS-CQSZACIVSA-N -1 3 392.485 0.727 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825897207 608169105 /nfs/dbraw/zinc/16/91/05/608169105.db2.gz DKZGORABUJQTAS-CQSZACIVSA-N -1 3 392.485 0.727 20 0 GCADHM O=C(OCCOc1ccc(-c2nn[n-]n2)cc1)c1cnc2c(c1)NC(=O)CO2 ZINC000826481744 608177892 /nfs/dbraw/zinc/17/78/92/608177892.db2.gz HKPYUNWFOQYBKD-UHFFFAOYSA-N -1 3 382.336 0.828 20 0 GCADHM O=C(COC(=O)c1cnc2c(c1)NC(=O)CO2)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826416552 608178143 /nfs/dbraw/zinc/17/81/43/608178143.db2.gz DZWTWZVTIHMDGK-UHFFFAOYSA-N -1 3 395.335 0.388 20 0 GCADHM O=C(COC(=O)c1cnc2c(c1)NC(=O)CO2)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826416552 608178144 /nfs/dbraw/zinc/17/81/44/608178144.db2.gz DZWTWZVTIHMDGK-UHFFFAOYSA-N -1 3 395.335 0.388 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC000825787900 608178384 /nfs/dbraw/zinc/17/83/84/608178384.db2.gz LUMOKUJNBPEBDC-SECBINFHSA-N -1 3 382.384 0.712 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC000825787900 608178386 /nfs/dbraw/zinc/17/83/86/608178386.db2.gz LUMOKUJNBPEBDC-SECBINFHSA-N -1 3 382.384 0.712 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CN(C)S(C)(=O)=O ZINC000825792793 608179029 /nfs/dbraw/zinc/17/90/29/608179029.db2.gz DFWYXVUKGOGMAK-UHFFFAOYSA-N -1 3 378.418 0.066 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CN(C)S(C)(=O)=O ZINC000825792793 608179030 /nfs/dbraw/zinc/17/90/30/608179030.db2.gz DFWYXVUKGOGMAK-UHFFFAOYSA-N -1 3 378.418 0.066 20 0 GCADHM COc1cc(NC(=O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc(OC)c1 ZINC000826180747 608180485 /nfs/dbraw/zinc/18/04/85/608180485.db2.gz VMZHNDOKCIQWCR-UHFFFAOYSA-N -1 3 385.384 0.923 20 0 GCADHM COc1cc(NC(=O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc(OC)c1 ZINC000826180747 608180487 /nfs/dbraw/zinc/18/04/87/608180487.db2.gz VMZHNDOKCIQWCR-UHFFFAOYSA-N -1 3 385.384 0.923 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1c1ncon1 ZINC000826433023 608180880 /nfs/dbraw/zinc/18/08/80/608180880.db2.gz SAXULQLXLQCCNK-ZDUSSCGKSA-N -1 3 382.384 0.733 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1c1ncon1 ZINC000826433023 608180881 /nfs/dbraw/zinc/18/08/81/608180881.db2.gz SAXULQLXLQCCNK-ZDUSSCGKSA-N -1 3 382.384 0.733 20 0 GCADHM CN(CCc1cnccn1)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000825946003 608185943 /nfs/dbraw/zinc/18/59/43/608185943.db2.gz DTBPVUCKSHTVNM-UHFFFAOYSA-N -1 3 386.803 0.950 20 0 GCADHM CN(CCc1cnccn1)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000825946003 608185945 /nfs/dbraw/zinc/18/59/45/608185945.db2.gz DTBPVUCKSHTVNM-UHFFFAOYSA-N -1 3 386.803 0.950 20 0 GCADHM COc1cccc([C@@H](O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000826215180 608187307 /nfs/dbraw/zinc/18/73/07/608187307.db2.gz IOYYBRPSKQZTDB-QGZVFWFLSA-N -1 3 395.423 0.653 20 0 GCADHM COc1cccc([C@@H](O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000826215180 608187308 /nfs/dbraw/zinc/18/73/08/608187308.db2.gz IOYYBRPSKQZTDB-QGZVFWFLSA-N -1 3 395.423 0.653 20 0 GCADHM O=C([C@H](O)CCc1ccccc1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826396513 608187685 /nfs/dbraw/zinc/18/76/85/608187685.db2.gz BMBXIWACYXVUFV-QGZVFWFLSA-N -1 3 393.451 0.904 20 0 GCADHM O=C([C@H](O)CCc1ccccc1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826396513 608187687 /nfs/dbraw/zinc/18/76/87/608187687.db2.gz BMBXIWACYXVUFV-QGZVFWFLSA-N -1 3 393.451 0.904 20 0 GCADHM Cc1ncc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c(N)n1 ZINC000826329499 608192065 /nfs/dbraw/zinc/19/20/65/608192065.db2.gz GJZBQALKIKGDMJ-UHFFFAOYSA-N -1 3 376.384 0.867 20 0 GCADHM Cc1ncc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c(N)n1 ZINC000826329499 608192066 /nfs/dbraw/zinc/19/20/66/608192066.db2.gz GJZBQALKIKGDMJ-UHFFFAOYSA-N -1 3 376.384 0.867 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1-c1nnn[n-]1 ZINC000826298958 608192195 /nfs/dbraw/zinc/19/21/95/608192195.db2.gz MFMVCIHUVYKKAG-KPZWWZAWSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000826298958 608192196 /nfs/dbraw/zinc/19/21/96/608192196.db2.gz MFMVCIHUVYKKAG-KPZWWZAWSA-N -1 3 386.412 0.568 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(Cl)[nH]n1 ZINC000824640800 608199741 /nfs/dbraw/zinc/19/97/41/608199741.db2.gz PFJUGNRCYWUPIL-SSDOTTSWSA-N -1 3 396.820 0.549 20 0 GCADHM C[C@@H]1[C@@H](C)N(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCN1C ZINC000824860812 608202863 /nfs/dbraw/zinc/20/28/63/608202863.db2.gz XXCCOFVWZLYIEL-VXGBXAGGSA-N -1 3 381.444 0.799 20 0 GCADHM CC(CO)(CO)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000824435239 608204085 /nfs/dbraw/zinc/20/40/85/608204085.db2.gz NHLJBOJBJYSRQK-UHFFFAOYSA-N -1 3 385.384 0.919 20 0 GCADHM CC(CO)(CO)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000824435239 608204088 /nfs/dbraw/zinc/20/40/88/608204088.db2.gz NHLJBOJBJYSRQK-UHFFFAOYSA-N -1 3 385.384 0.919 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC(C)(CO)CO)cc1-c1nnn[n-]1 ZINC000825538199 608209134 /nfs/dbraw/zinc/20/91/34/608209134.db2.gz CCYNINHYZWFNIH-UHFFFAOYSA-N -1 3 379.377 0.300 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC(C)(CO)CO)cc1-c1nn[n-]n1 ZINC000825538199 608209136 /nfs/dbraw/zinc/20/91/36/608209136.db2.gz CCYNINHYZWFNIH-UHFFFAOYSA-N -1 3 379.377 0.300 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000825476532 608210900 /nfs/dbraw/zinc/21/09/00/608210900.db2.gz MUKKAAJDISLKEO-NSHDSACASA-N -1 3 397.461 0.029 20 0 GCADHM CCOC(=O)N[C@@H](CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1)CC(C)C ZINC000825523969 608218919 /nfs/dbraw/zinc/21/89/19/608218919.db2.gz XPVLNGRRXIIECT-CYBMUJFWSA-N -1 3 390.448 0.951 20 0 GCADHM CCOC(=O)N[C@@H](CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1)CC(C)C ZINC000825523969 608218921 /nfs/dbraw/zinc/21/89/21/608218921.db2.gz XPVLNGRRXIIECT-CYBMUJFWSA-N -1 3 390.448 0.951 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825066622 608221264 /nfs/dbraw/zinc/22/12/64/608221264.db2.gz CLFWSHMXXWSWDC-JQWIXIFHSA-N -1 3 390.473 0.490 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825066622 608221266 /nfs/dbraw/zinc/22/12/66/608221266.db2.gz CLFWSHMXXWSWDC-JQWIXIFHSA-N -1 3 390.473 0.490 20 0 GCADHM CNC(=O)c1cc(OC)ccc1NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826068384 608221833 /nfs/dbraw/zinc/22/18/33/608221833.db2.gz RVSPVMWFBPFFDT-UHFFFAOYSA-N -1 3 382.384 0.681 20 0 GCADHM CNC(=O)c1cc(OC)ccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826068384 608221834 /nfs/dbraw/zinc/22/18/34/608221834.db2.gz RVSPVMWFBPFFDT-UHFFFAOYSA-N -1 3 382.384 0.681 20 0 GCADHM CCN(CC)C(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825399566 608222076 /nfs/dbraw/zinc/22/20/76/608222076.db2.gz YEPFRQFIULJVLO-GFCCVEGCSA-N -1 3 390.473 0.444 20 0 GCADHM CCN(CC)C(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825399566 608222077 /nfs/dbraw/zinc/22/20/77/608222077.db2.gz YEPFRQFIULJVLO-GFCCVEGCSA-N -1 3 390.473 0.444 20 0 GCADHM C[S@](=O)C[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000826224381 608224683 /nfs/dbraw/zinc/22/46/83/608224683.db2.gz BTCCKSFBCGNABH-ASHKIFAZSA-N -1 3 385.453 0.910 20 0 GCADHM C[S@](=O)C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000826224381 608224684 /nfs/dbraw/zinc/22/46/84/608224684.db2.gz BTCCKSFBCGNABH-ASHKIFAZSA-N -1 3 385.453 0.910 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000824678523 608234190 /nfs/dbraw/zinc/23/41/90/608234190.db2.gz NHFZYNGJGPLIAL-SECBINFHSA-N -1 3 389.366 0.723 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000824678523 608234192 /nfs/dbraw/zinc/23/41/92/608234192.db2.gz NHFZYNGJGPLIAL-SECBINFHSA-N -1 3 389.366 0.723 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825247441 608239395 /nfs/dbraw/zinc/23/93/95/608239395.db2.gz DOZXZTLKTXTYSG-GFCCVEGCSA-N -1 3 384.849 0.809 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825247441 608239397 /nfs/dbraw/zinc/23/93/97/608239397.db2.gz DOZXZTLKTXTYSG-GFCCVEGCSA-N -1 3 384.849 0.809 20 0 GCADHM O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826409907 608240312 /nfs/dbraw/zinc/24/03/12/608240312.db2.gz TWJGRPISHNVEPN-OAHLLOKOSA-N -1 3 391.391 0.968 20 0 GCADHM O=C(CN1C(=O)N[C@H](Cc2ccccc2)C1=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826409907 608240314 /nfs/dbraw/zinc/24/03/14/608240314.db2.gz TWJGRPISHNVEPN-OAHLLOKOSA-N -1 3 391.391 0.968 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826060962 608240467 /nfs/dbraw/zinc/24/04/67/608240467.db2.gz XIVGAJHOXXUZBQ-JQWIXIFHSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826060962 608240468 /nfs/dbraw/zinc/24/04/68/608240468.db2.gz XIVGAJHOXXUZBQ-JQWIXIFHSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826060375 608241338 /nfs/dbraw/zinc/24/13/38/608241338.db2.gz LSHLUOGWQFSKTN-UKRRQHHQSA-N -1 3 398.471 0.613 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826060375 608241339 /nfs/dbraw/zinc/24/13/39/608241339.db2.gz LSHLUOGWQFSKTN-UKRRQHHQSA-N -1 3 398.471 0.613 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)[C@@H](O)C(F)(F)F ZINC000825127497 608244657 /nfs/dbraw/zinc/24/46/57/608244657.db2.gz NEMNZPMJISKBBA-GXSJLCMTSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)[C@@H](O)C(F)(F)F ZINC000825127497 608244659 /nfs/dbraw/zinc/24/46/59/608244659.db2.gz NEMNZPMJISKBBA-GXSJLCMTSA-N -1 3 386.334 0.932 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826052646 608245135 /nfs/dbraw/zinc/24/51/35/608245135.db2.gz RHQGAGOEPMOWTG-CABZTGNLSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826052646 608245137 /nfs/dbraw/zinc/24/51/37/608245137.db2.gz RHQGAGOEPMOWTG-CABZTGNLSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826050927 608245549 /nfs/dbraw/zinc/24/55/49/608245549.db2.gz IFXSCVHLJBMIPA-ONGXEEELSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826050927 608245551 /nfs/dbraw/zinc/24/55/51/608245551.db2.gz IFXSCVHLJBMIPA-ONGXEEELSA-N -1 3 391.819 0.490 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826453078 608247875 /nfs/dbraw/zinc/24/78/75/608247875.db2.gz UUKKMSZEBMHQBL-JTQLQIEISA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826453078 608247876 /nfs/dbraw/zinc/24/78/76/608247876.db2.gz UUKKMSZEBMHQBL-JTQLQIEISA-N -1 3 389.803 0.292 20 0 GCADHM Cn1nnnc1CCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826366922 608248198 /nfs/dbraw/zinc/24/81/98/608248198.db2.gz DCUHSPSRSQWRQN-UHFFFAOYSA-N -1 3 395.383 0.535 20 0 GCADHM Cn1nnnc1CCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826366922 608248199 /nfs/dbraw/zinc/24/81/99/608248199.db2.gz DCUHSPSRSQWRQN-UHFFFAOYSA-N -1 3 395.383 0.535 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826060064 608248245 /nfs/dbraw/zinc/24/82/45/608248245.db2.gz GDGVINKKRAEPHY-GXTWGEPZSA-N -1 3 395.427 0.279 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826060064 608248246 /nfs/dbraw/zinc/24/82/46/608248246.db2.gz GDGVINKKRAEPHY-GXTWGEPZSA-N -1 3 395.427 0.279 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OC[C@H]1CNC(=O)C1 ZINC000826175434 608248586 /nfs/dbraw/zinc/24/85/86/608248586.db2.gz FAARULCGGMCBKG-LLVKDONJSA-N -1 3 375.385 0.714 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OC[C@H]1CNC(=O)C1 ZINC000826175434 608248588 /nfs/dbraw/zinc/24/85/88/608248588.db2.gz FAARULCGGMCBKG-LLVKDONJSA-N -1 3 375.385 0.714 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825759304 608249473 /nfs/dbraw/zinc/24/94/73/608249473.db2.gz CHTVFOQEUOMHKH-UHFFFAOYSA-N -1 3 391.457 0.958 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825759304 608249474 /nfs/dbraw/zinc/24/94/74/608249474.db2.gz CHTVFOQEUOMHKH-UHFFFAOYSA-N -1 3 391.457 0.958 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825760026 608249961 /nfs/dbraw/zinc/24/99/61/608249961.db2.gz SCMZXQQMSZYYKS-UHFFFAOYSA-N -1 3 391.457 0.958 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825760026 608249963 /nfs/dbraw/zinc/24/99/63/608249963.db2.gz SCMZXQQMSZYYKS-UHFFFAOYSA-N -1 3 391.457 0.958 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@]1(C)CCCOC1 ZINC000824633203 608250462 /nfs/dbraw/zinc/25/04/62/608250462.db2.gz HUHSSDBBHKCYII-ZBEGNZNMSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@]1(C)CCCOC1 ZINC000824633203 608250464 /nfs/dbraw/zinc/25/04/64/608250464.db2.gz HUHSSDBBHKCYII-ZBEGNZNMSA-N -1 3 394.457 0.219 20 0 GCADHM Cc1cnc(COC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826318254 608251860 /nfs/dbraw/zinc/25/18/60/608251860.db2.gz AFXHTXFXVLJESQ-UHFFFAOYSA-N -1 3 394.438 0.653 20 0 GCADHM Cc1cnc(COC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826318254 608251862 /nfs/dbraw/zinc/25/18/62/608251862.db2.gz AFXHTXFXVLJESQ-UHFFFAOYSA-N -1 3 394.438 0.653 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)CC[C@H]2C1 ZINC000826399520 608251902 /nfs/dbraw/zinc/25/19/02/608251902.db2.gz YAKFUSIOCQYVON-JKSUJKDBSA-N -1 3 381.440 0.669 20 0 GCADHM CCC[C@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825248613 608257571 /nfs/dbraw/zinc/25/75/71/608257571.db2.gz XCRXCCFLOYAHFB-AWEZNQCLSA-N -1 3 378.458 0.241 20 0 GCADHM CCC[C@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825248613 608257573 /nfs/dbraw/zinc/25/75/73/608257573.db2.gz XCRXCCFLOYAHFB-AWEZNQCLSA-N -1 3 378.458 0.241 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825760046 608262114 /nfs/dbraw/zinc/26/21/14/608262114.db2.gz SRNIRTHPFMXTRX-UHFFFAOYSA-N -1 3 384.400 0.426 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825760046 608262116 /nfs/dbraw/zinc/26/21/16/608262116.db2.gz SRNIRTHPFMXTRX-UHFFFAOYSA-N -1 3 384.400 0.426 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1Cn1nnc(-c2ccc(C(N)=O)cc2)n1 ZINC000826174504 608263124 /nfs/dbraw/zinc/26/31/24/608263124.db2.gz ZNSAGCDUPLLKTR-UHFFFAOYSA-N -1 3 377.368 0.676 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1Cn1nnc(-c2ccc(C(N)=O)cc2)n1 ZINC000826174504 608263126 /nfs/dbraw/zinc/26/31/26/608263126.db2.gz ZNSAGCDUPLLKTR-UHFFFAOYSA-N -1 3 377.368 0.676 20 0 GCADHM Cc1nc(SCC(=O)NCCc2nnnn2C)c(-c2nnn[n-]2)c(C)c1C ZINC000826327912 608271291 /nfs/dbraw/zinc/27/12/91/608271291.db2.gz ZFNWPORFGRNJFW-UHFFFAOYSA-N -1 3 388.461 0.161 20 0 GCADHM Cc1nc(SCC(=O)NCCc2nnnn2C)c(-c2nn[n-]n2)c(C)c1C ZINC000826327912 608271292 /nfs/dbraw/zinc/27/12/92/608271292.db2.gz ZFNWPORFGRNJFW-UHFFFAOYSA-N -1 3 388.461 0.161 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc[nH]1 ZINC000824635223 608276434 /nfs/dbraw/zinc/27/64/34/608276434.db2.gz ZVMLNGVEEIOUAO-LLVKDONJSA-N -1 3 389.441 0.221 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc[nH]1 ZINC000824635223 608276436 /nfs/dbraw/zinc/27/64/36/608276436.db2.gz ZVMLNGVEEIOUAO-LLVKDONJSA-N -1 3 389.441 0.221 20 0 GCADHM CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000825817842 608289327 /nfs/dbraw/zinc/28/93/27/608289327.db2.gz QEMYDEWJXYGRFR-UHFFFAOYSA-N -1 3 389.416 0.470 20 0 GCADHM CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000825817842 608289329 /nfs/dbraw/zinc/28/93/29/608289329.db2.gz QEMYDEWJXYGRFR-UHFFFAOYSA-N -1 3 389.416 0.470 20 0 GCADHM C[S@](=O)CCN1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000826224465 608289798 /nfs/dbraw/zinc/28/97/98/608289798.db2.gz FCQKWNMZJRBEGM-SANMLTNESA-N -1 3 375.502 0.641 20 0 GCADHM C[S@](=O)CCN1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000826224465 608289799 /nfs/dbraw/zinc/28/97/99/608289799.db2.gz FCQKWNMZJRBEGM-SANMLTNESA-N -1 3 375.502 0.641 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H]2COC3(CCCC3)O2)c(-c2nnn[n-]2)c1 ZINC000826395319 608295100 /nfs/dbraw/zinc/29/51/00/608295100.db2.gz WLPQMTGCADXJQK-JTQLQIEISA-N -1 3 380.430 0.612 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H]2COC3(CCCC3)O2)c(-c2nn[n-]n2)c1 ZINC000826395319 608295102 /nfs/dbraw/zinc/29/51/02/608295102.db2.gz WLPQMTGCADXJQK-JTQLQIEISA-N -1 3 380.430 0.612 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCCC2)O1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490750 608304113 /nfs/dbraw/zinc/30/41/13/608304113.db2.gz GKZBHEPALYMWMT-NSHDSACASA-N -1 3 383.405 0.970 20 0 GCADHM NC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000826393400 608306885 /nfs/dbraw/zinc/30/68/85/608306885.db2.gz QFTQCLNTESEZSF-UHFFFAOYSA-N -1 3 393.411 0.715 20 0 GCADHM NC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000826393400 608306887 /nfs/dbraw/zinc/30/68/87/608306887.db2.gz QFTQCLNTESEZSF-UHFFFAOYSA-N -1 3 393.411 0.715 20 0 GCADHM NC(=O)c1ccc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000826393408 608306968 /nfs/dbraw/zinc/30/69/68/608306968.db2.gz QRSUGUHOCGCXAS-UHFFFAOYSA-N -1 3 394.399 0.110 20 0 GCADHM NC(=O)c1ccc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000826393408 608306970 /nfs/dbraw/zinc/30/69/70/608306970.db2.gz QRSUGUHOCGCXAS-UHFFFAOYSA-N -1 3 394.399 0.110 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2C[C@@H]3[C@H](C2)OCCN3C)c1-c1nnn[n-]1 ZINC000826332006 608316684 /nfs/dbraw/zinc/31/66/84/608316684.db2.gz GVILRFCVQIFEJJ-WBVHZDCISA-N -1 3 380.456 0.876 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2C[C@@H]3[C@H](C2)OCCN3C)c1-c1nn[n-]n1 ZINC000826332006 608316687 /nfs/dbraw/zinc/31/66/87/608316687.db2.gz GVILRFCVQIFEJJ-WBVHZDCISA-N -1 3 380.456 0.876 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCCN(CC(F)F)CC2)cccc1-c1nnn[n-]1 ZINC000826240587 608316691 /nfs/dbraw/zinc/31/66/91/608316691.db2.gz AROLBGPGXXIOEN-UHFFFAOYSA-N -1 3 393.398 0.913 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCCN(CC(F)F)CC2)cccc1-c1nn[n-]n1 ZINC000826240587 608316693 /nfs/dbraw/zinc/31/66/93/608316693.db2.gz AROLBGPGXXIOEN-UHFFFAOYSA-N -1 3 393.398 0.913 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCCN(CC(F)F)CC2)c1-c1nnn[n-]1 ZINC000826299115 608316908 /nfs/dbraw/zinc/31/69/08/608316908.db2.gz RGNFIYIHZBTEIA-UHFFFAOYSA-N -1 3 393.398 0.913 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCCN(CC(F)F)CC2)c1-c1nn[n-]n1 ZINC000826299115 608316910 /nfs/dbraw/zinc/31/69/10/608316910.db2.gz RGNFIYIHZBTEIA-UHFFFAOYSA-N -1 3 393.398 0.913 20 0 GCADHM Cc1nnc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826335788 608319123 /nfs/dbraw/zinc/31/91/23/608319123.db2.gz BPYBVMRXANAICR-UHFFFAOYSA-N -1 3 394.438 0.685 20 0 GCADHM Cc1nnc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826335788 608319125 /nfs/dbraw/zinc/31/91/25/608319125.db2.gz BPYBVMRXANAICR-UHFFFAOYSA-N -1 3 394.438 0.685 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000826388534 608319201 /nfs/dbraw/zinc/31/92/01/608319201.db2.gz CMCRKYIZNWPIFA-QGZVFWFLSA-N -1 3 378.440 0.606 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000826388534 608319204 /nfs/dbraw/zinc/31/92/04/608319204.db2.gz CMCRKYIZNWPIFA-QGZVFWFLSA-N -1 3 378.440 0.606 20 0 GCADHM COCCN1CCN(Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CC1=O ZINC000826159939 608322177 /nfs/dbraw/zinc/32/21/77/608322177.db2.gz YJHYFDJBGYXCPR-UHFFFAOYSA-N -1 3 396.455 0.651 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000826168412 608325455 /nfs/dbraw/zinc/32/54/55/608325455.db2.gz LVNKJSGJWTUZCY-CQSZACIVSA-N -1 3 381.396 0.727 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000826168412 608325457 /nfs/dbraw/zinc/32/54/57/608325457.db2.gz LVNKJSGJWTUZCY-CQSZACIVSA-N -1 3 381.396 0.727 20 0 GCADHM C[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)NC(C)(C)C ZINC000824633954 608328105 /nfs/dbraw/zinc/32/81/05/608328105.db2.gz SAKWQYCNUYWPQU-VIFPVBQESA-N -1 3 384.437 0.728 20 0 GCADHM COC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826133303 608332055 /nfs/dbraw/zinc/33/20/55/608332055.db2.gz LHQWGZOEAUWGBV-LLVKDONJSA-N -1 3 383.405 0.721 20 0 GCADHM COC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826133303 608332057 /nfs/dbraw/zinc/33/20/57/608332057.db2.gz LHQWGZOEAUWGBV-LLVKDONJSA-N -1 3 383.405 0.721 20 0 GCADHM CN(CCN1CCOCC1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825937746 608332065 /nfs/dbraw/zinc/33/20/65/608332065.db2.gz JVPSSXNRAHWSGV-UHFFFAOYSA-N -1 3 384.437 0.100 20 0 GCADHM CN(CCN1CCOCC1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825937746 608332067 /nfs/dbraw/zinc/33/20/67/608332067.db2.gz JVPSSXNRAHWSGV-UHFFFAOYSA-N -1 3 384.437 0.100 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NCCOC[C@H]1CCOC1 ZINC000826485894 608332297 /nfs/dbraw/zinc/33/22/97/608332297.db2.gz HFTSJIXQELLSER-NSHDSACASA-N -1 3 385.421 0.478 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCOC[C@H]1CCOC1 ZINC000826485894 608332299 /nfs/dbraw/zinc/33/22/99/608332299.db2.gz HFTSJIXQELLSER-NSHDSACASA-N -1 3 385.421 0.478 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H](C2OCCO2)C1 ZINC000826485293 608332370 /nfs/dbraw/zinc/33/23/70/608332370.db2.gz KABHNTFOMADASW-GFCCVEGCSA-N -1 3 397.432 0.921 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H](C2OCCO2)C1 ZINC000826485293 608332372 /nfs/dbraw/zinc/33/23/72/608332372.db2.gz KABHNTFOMADASW-GFCCVEGCSA-N -1 3 397.432 0.921 20 0 GCADHM COCCN1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C[C@@H]1C ZINC000826159706 608333586 /nfs/dbraw/zinc/33/35/86/608333586.db2.gz PCKIVZLPCPOLHX-LBPRGKRZSA-N -1 3 398.464 0.488 20 0 GCADHM COCCN1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1C ZINC000826159706 608333588 /nfs/dbraw/zinc/33/35/88/608333588.db2.gz PCKIVZLPCPOLHX-LBPRGKRZSA-N -1 3 398.464 0.488 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCc2cncnc2C1 ZINC000826486029 608334219 /nfs/dbraw/zinc/33/42/19/608334219.db2.gz MDJHBJUOMHAXLA-UHFFFAOYSA-N -1 3 375.389 0.684 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCc2cncnc2C1 ZINC000826486029 608334221 /nfs/dbraw/zinc/33/42/21/608334221.db2.gz MDJHBJUOMHAXLA-UHFFFAOYSA-N -1 3 375.389 0.684 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NC[C@@H](O)COCC1CC1 ZINC000826485678 608335326 /nfs/dbraw/zinc/33/53/26/608335326.db2.gz AENROYUJSPUWOZ-CYBMUJFWSA-N -1 3 385.421 0.213 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NCCCOC[C@@H]1CCOC1 ZINC000826486203 608335331 /nfs/dbraw/zinc/33/53/31/608335331.db2.gz STVUCBLEKIIETQ-LBPRGKRZSA-N -1 3 399.448 0.868 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCCOC[C@@H]1CCOC1 ZINC000826486203 608335332 /nfs/dbraw/zinc/33/53/32/608335332.db2.gz STVUCBLEKIIETQ-LBPRGKRZSA-N -1 3 399.448 0.868 20 0 GCADHM O=S(=O)(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC2(CC1)OCCO2 ZINC000826491910 608336703 /nfs/dbraw/zinc/33/67/03/608336703.db2.gz JSNISWIZFZMIQU-UHFFFAOYSA-N -1 3 398.420 0.179 20 0 GCADHM O=S(=O)(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC2(CC1)OCCO2 ZINC000826491910 608336705 /nfs/dbraw/zinc/33/67/05/608336705.db2.gz JSNISWIZFZMIQU-UHFFFAOYSA-N -1 3 398.420 0.179 20 0 GCADHM CC(C)(CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)S(C)(=O)=O ZINC000824158102 608336998 /nfs/dbraw/zinc/33/69/98/608336998.db2.gz RAFMGMMSQVLXMN-UHFFFAOYSA-N -1 3 391.450 0.248 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824440443 608337443 /nfs/dbraw/zinc/33/74/43/608337443.db2.gz CFDWEMMQAQVPLE-GWCFXTLKSA-N -1 3 385.421 0.619 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824440443 608337446 /nfs/dbraw/zinc/33/74/46/608337446.db2.gz CFDWEMMQAQVPLE-GWCFXTLKSA-N -1 3 385.421 0.619 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826329324 608338009 /nfs/dbraw/zinc/33/80/09/608338009.db2.gz YKIJQNOIHWQIQO-ZDUSSCGKSA-N -1 3 392.420 0.860 20 0 GCADHM COCCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000826157504 608338882 /nfs/dbraw/zinc/33/88/82/608338882.db2.gz YIRRBXVVOWJMQN-LBPRGKRZSA-N -1 3 394.457 0.843 20 0 GCADHM COCCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000826157504 608338883 /nfs/dbraw/zinc/33/88/83/608338883.db2.gz YIRRBXVVOWJMQN-LBPRGKRZSA-N -1 3 394.457 0.843 20 0 GCADHM CCNC(=O)N1CC[C@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000825471039 608339217 /nfs/dbraw/zinc/33/92/17/608339217.db2.gz MMMLGKDXYLWBJX-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM CCNC(=O)N1CC[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000825471039 608339218 /nfs/dbraw/zinc/33/92/18/608339218.db2.gz MMMLGKDXYLWBJX-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826389660 608339905 /nfs/dbraw/zinc/33/99/05/608339905.db2.gz DUKBJCLMJJOKHT-GXTWGEPZSA-N -1 3 396.448 0.859 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826389660 608339907 /nfs/dbraw/zinc/33/99/07/608339907.db2.gz DUKBJCLMJJOKHT-GXTWGEPZSA-N -1 3 396.448 0.859 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC(OCCCO)CC1 ZINC000826485621 608339944 /nfs/dbraw/zinc/33/99/44/608339944.db2.gz XYBWJINKVDFOIL-UHFFFAOYSA-N -1 3 399.448 0.699 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC(OCCCO)CC1 ZINC000826485621 608339945 /nfs/dbraw/zinc/33/99/45/608339945.db2.gz XYBWJINKVDFOIL-UHFFFAOYSA-N -1 3 399.448 0.699 20 0 GCADHM CCc1nn(C)cc1NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825763500 608340565 /nfs/dbraw/zinc/34/05/65/608340565.db2.gz XMLKRDJSPZBJEP-UHFFFAOYSA-N -1 3 382.432 0.912 20 0 GCADHM CCc1nn(C)cc1NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825763500 608340566 /nfs/dbraw/zinc/34/05/66/608340566.db2.gz XMLKRDJSPZBJEP-UHFFFAOYSA-N -1 3 382.432 0.912 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000825603764 608340863 /nfs/dbraw/zinc/34/08/63/608340863.db2.gz BLMVLQSMFJKBFB-AWEZNQCLSA-N -1 3 399.448 0.963 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000825603764 608340865 /nfs/dbraw/zinc/34/08/65/608340865.db2.gz BLMVLQSMFJKBFB-AWEZNQCLSA-N -1 3 399.448 0.963 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826060638 608342717 /nfs/dbraw/zinc/34/27/17/608342717.db2.gz PZSXYMFIMFETNE-WCQYABFASA-N -1 3 382.421 0.340 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826060638 608342719 /nfs/dbraw/zinc/34/27/19/608342719.db2.gz PZSXYMFIMFETNE-WCQYABFASA-N -1 3 382.421 0.340 20 0 GCADHM CCN(C(=O)CN1CCS(=O)(=O)CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825372331 608345056 /nfs/dbraw/zinc/34/50/56/608345056.db2.gz VTZOHKOFJSUAGH-UHFFFAOYSA-N -1 3 398.876 0.603 20 0 GCADHM CCN(C(=O)CN1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825372331 608345057 /nfs/dbraw/zinc/34/50/57/608345057.db2.gz VTZOHKOFJSUAGH-UHFFFAOYSA-N -1 3 398.876 0.603 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000826169476 608352575 /nfs/dbraw/zinc/35/25/75/608352575.db2.gz UDRGJBVXGKSSBH-UHFFFAOYSA-N -1 3 387.444 0.044 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000826169476 608352577 /nfs/dbraw/zinc/35/25/77/608352577.db2.gz UDRGJBVXGKSSBH-UHFFFAOYSA-N -1 3 387.444 0.044 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)n1 ZINC000824147427 608353981 /nfs/dbraw/zinc/35/39/81/608353981.db2.gz CLZMGJQZQQVLKP-JTQLQIEISA-N -1 3 387.448 0.110 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000826169119 608354934 /nfs/dbraw/zinc/35/49/34/608354934.db2.gz IXWGQQVBXNXYSU-UHFFFAOYSA-N -1 3 399.455 0.142 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000826169119 608354936 /nfs/dbraw/zinc/35/49/36/608354936.db2.gz IXWGQQVBXNXYSU-UHFFFAOYSA-N -1 3 399.455 0.142 20 0 GCADHM C[C@@H](O)CN(C)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824698184 608354960 /nfs/dbraw/zinc/35/49/60/608354960.db2.gz JHHFSICJNODTOQ-LMWSTFAQSA-N -1 3 375.433 0.974 20 0 GCADHM C[C@@H](O)CN(C)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824698184 608354962 /nfs/dbraw/zinc/35/49/62/608354962.db2.gz JHHFSICJNODTOQ-LMWSTFAQSA-N -1 3 375.433 0.974 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCCC[C@@H]1CNS(C)(=O)=O ZINC000826169229 608355050 /nfs/dbraw/zinc/35/50/50/608355050.db2.gz LTJRUDJNPZCZBM-CQSZACIVSA-N -1 3 380.474 0.779 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](C3OCCO3)C2)cccc1-c1nnn[n-]1 ZINC000826241067 608360449 /nfs/dbraw/zinc/36/04/49/608360449.db2.gz QBFKPQLLBNHVCX-LBPRGKRZSA-N -1 3 386.412 0.725 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](C3OCCO3)C2)cccc1-c1nn[n-]n1 ZINC000826241067 608360451 /nfs/dbraw/zinc/36/04/51/608360451.db2.gz QBFKPQLLBNHVCX-LBPRGKRZSA-N -1 3 386.412 0.725 20 0 GCADHM C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000824406467 608360643 /nfs/dbraw/zinc/36/06/43/608360643.db2.gz KVVODTAJLHWRLK-IWHNICOQSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000824406467 608360645 /nfs/dbraw/zinc/36/06/45/608360645.db2.gz KVVODTAJLHWRLK-IWHNICOQSA-N -1 3 384.849 0.732 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000826276964 608363216 /nfs/dbraw/zinc/36/32/16/608363216.db2.gz DWVFYFNOLRODEA-BBRMVZONSA-N -1 3 399.455 0.293 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000826276964 608363218 /nfs/dbraw/zinc/36/32/18/608363218.db2.gz DWVFYFNOLRODEA-BBRMVZONSA-N -1 3 399.455 0.293 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C[C@@H]1O ZINC000825204503 608364079 /nfs/dbraw/zinc/36/40/79/608364079.db2.gz RSAACAADLWPUDJ-KCJUWKMLSA-N -1 3 396.354 0.636 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C[C@@H]1O ZINC000825204503 608364081 /nfs/dbraw/zinc/36/40/81/608364081.db2.gz RSAACAADLWPUDJ-KCJUWKMLSA-N -1 3 396.354 0.636 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C[C@H]1O ZINC000825204502 608364160 /nfs/dbraw/zinc/36/41/60/608364160.db2.gz RSAACAADLWPUDJ-GZMMTYOYSA-N -1 3 396.354 0.636 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C[C@H]1O ZINC000825204502 608364162 /nfs/dbraw/zinc/36/41/62/608364162.db2.gz RSAACAADLWPUDJ-GZMMTYOYSA-N -1 3 396.354 0.636 20 0 GCADHM O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826435382 608365082 /nfs/dbraw/zinc/36/50/82/608365082.db2.gz NALLBNOURAGOGE-NSHDSACASA-N -1 3 390.375 0.746 20 0 GCADHM O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826435382 608365084 /nfs/dbraw/zinc/36/50/84/608365084.db2.gz NALLBNOURAGOGE-NSHDSACASA-N -1 3 390.375 0.746 20 0 GCADHM CCCn1cc(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000825357008 608380539 /nfs/dbraw/zinc/38/05/39/608380539.db2.gz UPPIHGBFZXXPKQ-AWEZNQCLSA-N -1 3 382.384 0.831 20 0 GCADHM 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608587435 /nfs/dbraw/zinc/58/74/35/608587435.db2.gz KZCZNHYDRXXJGG-RISCZKNCSA-N -1 3 391.476 0.573 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN1C[C@@H](C)[C@@H](O)C1 ZINC000826157192 608587436 /nfs/dbraw/zinc/58/74/36/608587436.db2.gz KZCZNHYDRXXJGG-RISCZKNCSA-N -1 3 391.476 0.573 20 0 GCADHM O=C(C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)N1CCCC1 ZINC000826397080 608599346 /nfs/dbraw/zinc/59/93/46/608599346.db2.gz UBRQJSQWROUBKN-UHFFFAOYSA-N -1 3 375.458 0.195 20 0 GCADHM CN1CCO[C@@H](C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000826045080 608603452 /nfs/dbraw/zinc/60/34/52/608603452.db2.gz OOKCXCMAHHERPV-YMAMQOFZSA-N -1 3 387.444 0.399 20 0 GCADHM CN1CCO[C@@H](C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000826045080 608603454 /nfs/dbraw/zinc/60/34/54/608603454.db2.gz OOKCXCMAHHERPV-YMAMQOFZSA-N -1 3 387.444 0.399 20 0 GCADHM C[C@@H](C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC000824038897 608605339 /nfs/dbraw/zinc/60/53/39/608605339.db2.gz AGECAIDGLNDZHE-XGNXJENSSA-N -1 3 383.416 0.921 20 0 GCADHM C[C@@H](C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC000824038897 608605342 /nfs/dbraw/zinc/60/53/42/608605342.db2.gz AGECAIDGLNDZHE-XGNXJENSSA-N -1 3 383.416 0.921 20 0 GCADHM CN(CC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)C(=O)C1CC1 ZINC000825892476 608605500 /nfs/dbraw/zinc/60/55/00/608605500.db2.gz MHPUFUQQPJINPR-UHFFFAOYSA-N -1 3 399.455 0.936 20 0 GCADHM CN(CC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)C(=O)C1CC1 ZINC000825892476 608605503 /nfs/dbraw/zinc/60/55/03/608605503.db2.gz MHPUFUQQPJINPR-UHFFFAOYSA-N -1 3 399.455 0.936 20 0 GCADHM C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000826231943 608617581 /nfs/dbraw/zinc/61/75/81/608617581.db2.gz SLIHSLGACPZXNL-SNVBAGLBSA-N -1 3 383.368 0.490 20 0 GCADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)NC[C@H](C)O)c1C ZINC000826331570 608617959 /nfs/dbraw/zinc/61/79/59/608617959.db2.gz OJEFVORELOXOHJ-VIFPVBQESA-N -1 3 384.400 0.105 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2ncn(C)n2)cc1-c1nnn[n-]1 ZINC000824324378 608619851 /nfs/dbraw/zinc/61/98/51/608619851.db2.gz NASBYPVVVYNNNK-UHFFFAOYSA-N -1 3 385.388 0.037 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2ncn(C)n2)cc1-c1nn[n-]n1 ZINC000824324378 608619853 /nfs/dbraw/zinc/61/98/53/608619853.db2.gz NASBYPVVVYNNNK-UHFFFAOYSA-N -1 3 385.388 0.037 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)N1CCNC(=O)C1 ZINC000826481256 608623340 /nfs/dbraw/zinc/62/33/40/608623340.db2.gz MWSHLYWHAVDAFR-UHFFFAOYSA-N -1 3 386.416 0.093 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)N1CCNC(=O)C1 ZINC000826481256 608623342 /nfs/dbraw/zinc/62/33/42/608623342.db2.gz MWSHLYWHAVDAFR-UHFFFAOYSA-N -1 3 386.416 0.093 20 0 GCADHM CN(C1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1)S(C)(=O)=O ZINC000825888868 608635525 /nfs/dbraw/zinc/63/55/25/608635525.db2.gz XNOOHXUNNFOWBQ-UHFFFAOYSA-N -1 3 390.473 0.370 20 0 GCADHM CN(C1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1)S(C)(=O)=O ZINC000825888868 608635527 /nfs/dbraw/zinc/63/55/27/608635527.db2.gz XNOOHXUNNFOWBQ-UHFFFAOYSA-N -1 3 390.473 0.370 20 0 GCADHM CCNC(=O)CCC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825471563 608641428 /nfs/dbraw/zinc/64/14/28/608641428.db2.gz WLVUCHDKDLCHAT-UHFFFAOYSA-N -1 3 387.444 0.984 20 0 GCADHM CCNC(=O)CCC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825471563 608641429 /nfs/dbraw/zinc/64/14/29/608641429.db2.gz WLVUCHDKDLCHAT-UHFFFAOYSA-N -1 3 387.444 0.984 20 0 GCADHM COC[C@](C)(NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)OC ZINC000826148202 608642142 /nfs/dbraw/zinc/64/21/42/608642142.db2.gz CFARTLXSMBEYGF-HNNXBMFYSA-N -1 3 382.808 0.626 20 0 GCADHM COC[C@](C)(NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)OC ZINC000826148202 608642143 /nfs/dbraw/zinc/64/21/43/608642143.db2.gz CFARTLXSMBEYGF-HNNXBMFYSA-N -1 3 382.808 0.626 20 0 GCADHM O=C([C@@H]1CCCCN1Cc1cnc2ccc(-c3nnn[n-]3)cn12)N1CCOCC1 ZINC000826399312 608678610 /nfs/dbraw/zinc/67/86/10/608678610.db2.gz SHIHMRSPAGLHPB-INIZCTEOSA-N -1 3 396.455 0.728 20 0 GCADHM O=C([C@@H]1CCCCN1Cc1cnc2ccc(-c3nn[n-]n3)cn12)N1CCOCC1 ZINC000826399312 608678612 /nfs/dbraw/zinc/67/86/12/608678612.db2.gz SHIHMRSPAGLHPB-INIZCTEOSA-N -1 3 396.455 0.728 20 0 GCADHM c1cc(-c2nnn[n-]2)oc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000826527041 608718421 /nfs/dbraw/zinc/71/84/21/608718421.db2.gz WWUDQXRCSRTBQV-UHFFFAOYSA-N -1 3 397.443 0.409 20 0 GCADHM c1cc(-c2nn[n-]n2)oc1CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000826527041 608718422 /nfs/dbraw/zinc/71/84/22/608718422.db2.gz WWUDQXRCSRTBQV-UHFFFAOYSA-N -1 3 397.443 0.409 20 0 GCADHM COC[C@@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821682644 608755544 /nfs/dbraw/zinc/75/55/44/608755544.db2.gz KOPQLTPIZURAOT-SSDOTTSWSA-N -1 3 376.236 0.942 20 0 GCADHM COC[C@@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821682644 608755549 /nfs/dbraw/zinc/75/55/49/608755549.db2.gz KOPQLTPIZURAOT-SSDOTTSWSA-N -1 3 376.236 0.942 20 0 GCADHM Cc1nnc(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[nH]1 ZINC000826325147 608765295 /nfs/dbraw/zinc/76/52/95/608765295.db2.gz OWLVFISFLXTNHT-UHFFFAOYSA-N -1 3 375.780 0.244 20 0 GCADHM O=C([C@@H]1COc2ccccc2O1)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826399296 608770488 /nfs/dbraw/zinc/77/04/88/608770488.db2.gz RZAYFMSUKKYUQR-KRWDZBQOSA-N -1 3 393.407 0.750 20 0 GCADHM O=C([C@@H]1COc2ccccc2O1)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826399296 608770493 /nfs/dbraw/zinc/77/04/93/608770493.db2.gz RZAYFMSUKKYUQR-KRWDZBQOSA-N -1 3 393.407 0.750 20 0 GCADHM COc1cc(OC)cc(-n2nnnc2CN(C)c2cnccc2-c2nnn[n-]2)c1 ZINC000826181217 608790313 /nfs/dbraw/zinc/79/03/13/608790313.db2.gz PWDXHMMEBRCWNU-UHFFFAOYSA-N -1 3 394.399 0.891 20 0 GCADHM COc1cc(OC)cc(-n2nnnc2CN(C)c2cnccc2-c2nn[n-]n2)c1 ZINC000826181217 608790315 /nfs/dbraw/zinc/79/03/15/608790315.db2.gz PWDXHMMEBRCWNU-UHFFFAOYSA-N -1 3 394.399 0.891 20 0 GCADHM NC(=O)[C@@H]1COCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826389575 608822201 /nfs/dbraw/zinc/82/22/01/608822201.db2.gz BEHQBEWLHJJHPH-AWEZNQCLSA-N -1 3 398.379 0.365 20 0 GCADHM COC(=O)C1(O)CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826124812 608828121 /nfs/dbraw/zinc/82/81/21/608828121.db2.gz WHPQZUPPKUZYFA-UHFFFAOYSA-N -1 3 389.412 0.551 20 0 GCADHM COC(=O)C1(O)CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826124812 608828123 /nfs/dbraw/zinc/82/81/23/608828123.db2.gz WHPQZUPPKUZYFA-UHFFFAOYSA-N -1 3 389.412 0.551 20 0 GCADHM CN(C)C(=O)NCCN(C)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825938755 608828321 /nfs/dbraw/zinc/82/83/21/608828321.db2.gz YHKXHRRIDVQEOX-UHFFFAOYSA-N -1 3 380.840 0.662 20 0 GCADHM CN(C)C(=O)NCCN(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825938755 608828323 /nfs/dbraw/zinc/82/83/23/608828323.db2.gz YHKXHRRIDVQEOX-UHFFFAOYSA-N -1 3 380.840 0.662 20 0 GCADHM COCCn1cc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC000826163884 608836775 /nfs/dbraw/zinc/83/67/75/608836775.db2.gz PWYPPGJKIVMBMB-CYBMUJFWSA-N -1 3 384.448 0.210 20 0 GCADHM COCCn1cc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)cn1 ZINC000826163884 608836778 /nfs/dbraw/zinc/83/67/78/608836778.db2.gz PWYPPGJKIVMBMB-CYBMUJFWSA-N -1 3 384.448 0.210 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000826175004 608860833 /nfs/dbraw/zinc/86/08/33/608860833.db2.gz PGRDQCKLLVWNGO-AWEZNQCLSA-N -1 3 399.407 0.680 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000826175004 608860836 /nfs/dbraw/zinc/86/08/36/608860836.db2.gz PGRDQCKLLVWNGO-AWEZNQCLSA-N -1 3 399.407 0.680 20 0 GCADHM O=S1(=O)CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000826496781 608871615 /nfs/dbraw/zinc/87/16/15/608871615.db2.gz JNKCFPCLMHCQAZ-CYBMUJFWSA-N -1 3 392.485 0.817 20 0 GCADHM O=S1(=O)CCC[C@@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000826496781 608871618 /nfs/dbraw/zinc/87/16/18/608871618.db2.gz JNKCFPCLMHCQAZ-CYBMUJFWSA-N -1 3 392.485 0.817 20 0 GCADHM Cn1cnn(-c2ccc(NCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)cc2)c1=O ZINC000826365481 608883758 /nfs/dbraw/zinc/88/37/58/608883758.db2.gz PQKSMVBYQIQVPQ-UHFFFAOYSA-N -1 3 391.395 0.802 20 0 GCADHM Cn1cnn(-c2ccc(NCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)cc2)c1=O ZINC000826365481 608883759 /nfs/dbraw/zinc/88/37/59/608883759.db2.gz PQKSMVBYQIQVPQ-UHFFFAOYSA-N -1 3 391.395 0.802 20 0 GCADHM O=C(C=Cc1cnccn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826402981 609133348 /nfs/dbraw/zinc/13/33/48/609133348.db2.gz HEGMYEURGDPHOL-CDVVCGDMSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(C=Cc1cnccn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826402981 609133349 /nfs/dbraw/zinc/13/33/49/609133349.db2.gz HEGMYEURGDPHOL-CDVVCGDMSA-N -1 3 390.407 0.982 20 0 GCADHM CCN1C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000825445309 609134287 /nfs/dbraw/zinc/13/42/87/609134287.db2.gz ZVVGHZXBZXGWCF-UKRRQHHQSA-N -1 3 397.439 0.347 20 0 GCADHM CCN1C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000825445309 609134290 /nfs/dbraw/zinc/13/42/90/609134290.db2.gz ZVVGHZXBZXGWCF-UKRRQHHQSA-N -1 3 397.439 0.347 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nnn1C ZINC000826234245 609134556 /nfs/dbraw/zinc/13/45/56/609134556.db2.gz NXLSASNGELUTKN-ZDUSSCGKSA-N -1 3 381.400 0.229 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nnn1C ZINC000826234245 609134557 /nfs/dbraw/zinc/13/45/57/609134557.db2.gz NXLSASNGELUTKN-ZDUSSCGKSA-N -1 3 381.400 0.229 20 0 GCADHM O=C(CCn1ccnn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826409615 609136182 /nfs/dbraw/zinc/13/61/82/609136182.db2.gz HVLKITQFZTZCDH-AWEZNQCLSA-N -1 3 381.400 0.160 20 0 GCADHM O=C(CCn1ccnn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826409615 609136184 /nfs/dbraw/zinc/13/61/84/609136184.db2.gz HVLKITQFZTZCDH-AWEZNQCLSA-N -1 3 381.400 0.160 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1CCNC(=O)C1 ZINC000826479234 609136729 /nfs/dbraw/zinc/13/67/29/609136729.db2.gz UDKNATCLQRSSKH-TZMCWYRMSA-N -1 3 383.412 0.005 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1CCNC(=O)C1 ZINC000826479234 609136731 /nfs/dbraw/zinc/13/67/31/609136731.db2.gz UDKNATCLQRSSKH-TZMCWYRMSA-N -1 3 383.412 0.005 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CCNC(=O)C1 ZINC000826479232 609136873 /nfs/dbraw/zinc/13/68/73/609136873.db2.gz UDKNATCLQRSSKH-JSGCOSHPSA-N -1 3 383.412 0.005 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CCNC(=O)C1 ZINC000826479232 609136874 /nfs/dbraw/zinc/13/68/74/609136874.db2.gz UDKNATCLQRSSKH-JSGCOSHPSA-N -1 3 383.412 0.005 20 0 GCADHM Cc1cc(C(=O)NCc2nnc3n2CCC3)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259755 609141249 /nfs/dbraw/zinc/14/12/49/609141249.db2.gz DFSUKMRONYGPGP-UHFFFAOYSA-N -1 3 390.411 0.829 20 0 GCADHM Cc1cc(C(=O)NCc2nnc3n2CCC3)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259755 609141250 /nfs/dbraw/zinc/14/12/50/609141250.db2.gz DFSUKMRONYGPGP-UHFFFAOYSA-N -1 3 390.411 0.829 20 0 GCADHM Cc1cc(C(=O)OCCN2CCNC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261601 609143880 /nfs/dbraw/zinc/14/38/80/609143880.db2.gz LAQXNQMUYUDILP-UHFFFAOYSA-N -1 3 382.384 0.543 20 0 GCADHM Cc1cc(C(=O)OCCN2CCNC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261601 609143882 /nfs/dbraw/zinc/14/38/82/609143882.db2.gz LAQXNQMUYUDILP-UHFFFAOYSA-N -1 3 382.384 0.543 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2F)[C@H](C(=O)OC)C1 ZINC000826132169 609144380 /nfs/dbraw/zinc/14/43/80/609144380.db2.gz BMYCNKNUEAUQCC-MFKMUULPSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2F)[C@H](C(=O)OC)C1 ZINC000826132169 609144381 /nfs/dbraw/zinc/14/43/81/609144381.db2.gz BMYCNKNUEAUQCC-MFKMUULPSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2F)[C@H](C(=O)OC)C1 ZINC000826132166 609144551 /nfs/dbraw/zinc/14/45/51/609144551.db2.gz BMYCNKNUEAUQCC-GWCFXTLKSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2F)[C@H](C(=O)OC)C1 ZINC000826132166 609144553 /nfs/dbraw/zinc/14/45/53/609144553.db2.gz BMYCNKNUEAUQCC-GWCFXTLKSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)[C@H](C(=O)OC)C1 ZINC000826132878 609144567 /nfs/dbraw/zinc/14/45/67/609144567.db2.gz HQBWTASGORXHGC-YGRLFVJLSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)[C@H](C(=O)OC)C1 ZINC000826132878 609144569 /nfs/dbraw/zinc/14/45/69/609144569.db2.gz HQBWTASGORXHGC-YGRLFVJLSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(CCOc2ccccc2-c2nnn[n-]2)[C@H](C(=O)OC)C1 ZINC000826134707 609145156 /nfs/dbraw/zinc/14/51/56/609145156.db2.gz ZDYZWHDZANHVKM-OCCSQVGLSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@@H]1CCN(CCOc2ccccc2-c2nn[n-]n2)[C@H](C(=O)OC)C1 ZINC000826134707 609145158 /nfs/dbraw/zinc/14/51/58/609145158.db2.gz ZDYZWHDZANHVKM-OCCSQVGLSA-N -1 3 389.412 0.672 20 0 GCADHM COC[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CCO1 ZINC000826153221 609158037 /nfs/dbraw/zinc/15/80/37/609158037.db2.gz FVRRSNGPKPDTTM-HNNXBMFYSA-N -1 3 383.412 0.848 20 0 GCADHM COC[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CCO1 ZINC000826153221 609158039 /nfs/dbraw/zinc/15/80/39/609158039.db2.gz FVRRSNGPKPDTTM-HNNXBMFYSA-N -1 3 383.412 0.848 20 0 GCADHM COC(=O)[C@H](OC(=O)CCCCNC(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826116979 609161584 /nfs/dbraw/zinc/16/15/84/609161584.db2.gz GEYJEYSOUCAGNP-CYBMUJFWSA-N -1 3 376.373 0.463 20 0 GCADHM COC(=O)[C@H](OC(=O)CCCCNC(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116979 609161585 /nfs/dbraw/zinc/16/15/85/609161585.db2.gz GEYJEYSOUCAGNP-CYBMUJFWSA-N -1 3 376.373 0.463 20 0 GCADHM Cc1cc(C(=O)N(CC(N)=O)CC(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257572 609164754 /nfs/dbraw/zinc/16/47/54/609164754.db2.gz HQOHJJHCFCEQQK-UHFFFAOYSA-N -1 3 382.428 0.944 20 0 GCADHM Cc1cc(C(=O)N(CC(N)=O)CC(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257572 609164755 /nfs/dbraw/zinc/16/47/55/609164755.db2.gz HQOHJJHCFCEQQK-UHFFFAOYSA-N -1 3 382.428 0.944 20 0 GCADHM COC[C@@H](NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(=O)OC ZINC000826150925 609167969 /nfs/dbraw/zinc/16/79/69/609167969.db2.gz OUYLDZKTQCKNNF-CQSZACIVSA-N -1 3 385.384 0.279 20 0 GCADHM COC[C@@H](NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(=O)OC ZINC000826150925 609167970 /nfs/dbraw/zinc/16/79/70/609167970.db2.gz OUYLDZKTQCKNNF-CQSZACIVSA-N -1 3 385.384 0.279 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H](C)OCC)c(-c2nnn[n-]2)cn1CCOC ZINC000825560901 609169113 /nfs/dbraw/zinc/16/91/13/609169113.db2.gz XBXRJBCMJSDVPX-JTQLQIEISA-N -1 3 380.405 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H](C)OCC)c(-c2nn[n-]n2)cn1CCOC ZINC000825560901 609169114 /nfs/dbraw/zinc/16/91/14/609169114.db2.gz XBXRJBCMJSDVPX-JTQLQIEISA-N -1 3 380.405 0.855 20 0 GCADHM CN(C)c1ncc(CN(C)C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825992104 609172208 /nfs/dbraw/zinc/17/22/08/609172208.db2.gz PEEHZLAGZCXYPL-UHFFFAOYSA-N -1 3 395.427 0.111 20 0 GCADHM CN(C)c1ncc(CN(C)C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825992104 609172209 /nfs/dbraw/zinc/17/22/09/609172209.db2.gz PEEHZLAGZCXYPL-UHFFFAOYSA-N -1 3 395.427 0.111 20 0 GCADHM COCc1noc(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000826165625 609173866 /nfs/dbraw/zinc/17/38/66/609173866.db2.gz CGEWPWXYZQVQAP-INIZCTEOSA-N -1 3 384.356 0.363 20 0 GCADHM COCc1noc(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000826165625 609173868 /nfs/dbraw/zinc/17/38/68/609173868.db2.gz CGEWPWXYZQVQAP-INIZCTEOSA-N -1 3 384.356 0.363 20 0 GCADHM CC(C)N1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1=O ZINC000824300402 609176687 /nfs/dbraw/zinc/17/66/87/609176687.db2.gz GDWJXOIWXYNCPZ-UHFFFAOYSA-N -1 3 395.427 0.327 20 0 GCADHM CC(C)N1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1=O ZINC000824300402 609176691 /nfs/dbraw/zinc/17/66/91/609176691.db2.gz GDWJXOIWXYNCPZ-UHFFFAOYSA-N -1 3 395.427 0.327 20 0 GCADHM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826434565 609178112 /nfs/dbraw/zinc/17/81/12/609178112.db2.gz QNBVENLIYYTZQQ-CXAGYDPISA-N -1 3 395.467 0.963 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc[n+]([O-])c1 ZINC000826431226 609179435 /nfs/dbraw/zinc/17/94/35/609179435.db2.gz VUAVKKSVGVXKDK-HNNXBMFYSA-N -1 3 379.380 0.426 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc[n+]([O-])c1 ZINC000826431226 609179437 /nfs/dbraw/zinc/17/94/37/609179437.db2.gz VUAVKKSVGVXKDK-HNNXBMFYSA-N -1 3 379.380 0.426 20 0 GCADHM Cc1nc([C@H]2COCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)no1 ZINC000826324707 609180588 /nfs/dbraw/zinc/18/05/88/609180588.db2.gz BRWMZUDPSWOYNO-CYBMUJFWSA-N -1 3 388.363 0.980 20 0 GCADHM Cc1nc([C@H]2COCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)no1 ZINC000826324707 609180589 /nfs/dbraw/zinc/18/05/89/609180589.db2.gz BRWMZUDPSWOYNO-CYBMUJFWSA-N -1 3 388.363 0.980 20 0 GCADHM Cc1nnc2n1C[C@H](NC(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826337510 609180736 /nfs/dbraw/zinc/18/07/36/609180736.db2.gz RFQMSQOHCWEFDN-CYBMUJFWSA-N -1 3 383.416 0.460 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000826255952 609182333 /nfs/dbraw/zinc/18/23/33/609182333.db2.gz PMFPYUKZVBYCST-ZDUSSCGKSA-N -1 3 395.441 0.376 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000826255952 609182334 /nfs/dbraw/zinc/18/23/34/609182334.db2.gz PMFPYUKZVBYCST-ZDUSSCGKSA-N -1 3 395.441 0.376 20 0 GCADHM CCOCCOC1CN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000825599724 609183298 /nfs/dbraw/zinc/18/32/98/609183298.db2.gz QNAHSVIKEANWTC-UHFFFAOYSA-N -1 3 385.421 0.573 20 0 GCADHM CCOCCOC1CN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000825599724 609183299 /nfs/dbraw/zinc/18/32/99/609183299.db2.gz QNAHSVIKEANWTC-UHFFFAOYSA-N -1 3 385.421 0.573 20 0 GCADHM CCOCCOC1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000825599283 609183374 /nfs/dbraw/zinc/18/33/74/609183374.db2.gz KLEMEVWOICYGFX-UHFFFAOYSA-N -1 3 387.849 0.946 20 0 GCADHM COCc1noc(CSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826165761 609185197 /nfs/dbraw/zinc/18/51/97/609185197.db2.gz JAGMLGCRHJBGHP-UHFFFAOYSA-N -1 3 375.414 0.946 20 0 GCADHM COCc1noc(CSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826165761 609185198 /nfs/dbraw/zinc/18/51/98/609185198.db2.gz JAGMLGCRHJBGHP-UHFFFAOYSA-N -1 3 375.414 0.946 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826430952 609189566 /nfs/dbraw/zinc/18/95/66/609189566.db2.gz NWPXJPWZDUHTKQ-MRXNPFEDSA-N -1 3 396.407 0.914 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826430952 609189567 /nfs/dbraw/zinc/18/95/67/609189567.db2.gz NWPXJPWZDUHTKQ-MRXNPFEDSA-N -1 3 396.407 0.914 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826430577 609190744 /nfs/dbraw/zinc/19/07/44/609190744.db2.gz GDMGHKNIUMESEZ-INIZCTEOSA-N -1 3 396.407 0.914 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826430577 609190745 /nfs/dbraw/zinc/19/07/45/609190745.db2.gz GDMGHKNIUMESEZ-INIZCTEOSA-N -1 3 396.407 0.914 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000826282084 609190810 /nfs/dbraw/zinc/19/08/10/609190810.db2.gz XLHHLTJMNQDCPG-INIZCTEOSA-N -1 3 398.398 0.894 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826282084 609190812 /nfs/dbraw/zinc/19/08/12/609190812.db2.gz XLHHLTJMNQDCPG-INIZCTEOSA-N -1 3 398.398 0.894 20 0 GCADHM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000826389321 609192155 /nfs/dbraw/zinc/19/21/55/609192155.db2.gz VJQAGDMKXSUMMR-HNNXBMFYSA-N -1 3 380.412 0.179 20 0 GCADHM NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826389321 609192156 /nfs/dbraw/zinc/19/21/56/609192156.db2.gz VJQAGDMKXSUMMR-HNNXBMFYSA-N -1 3 380.412 0.179 20 0 GCADHM Cc1cc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)ccc1-n1cnnn1 ZINC000826269243 609192552 /nfs/dbraw/zinc/19/25/52/609192552.db2.gz FWGNZXMQKIVPLM-OAHLLOKOSA-N -1 3 377.368 0.823 20 0 GCADHM Cc1cc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)ccc1-n1cnnn1 ZINC000826269243 609192554 /nfs/dbraw/zinc/19/25/54/609192554.db2.gz FWGNZXMQKIVPLM-OAHLLOKOSA-N -1 3 377.368 0.823 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000826469347 609193143 /nfs/dbraw/zinc/19/31/43/609193143.db2.gz CWLFCTICGDSLSV-UHFFFAOYSA-N -1 3 377.412 0.801 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000826469347 609193145 /nfs/dbraw/zinc/19/31/45/609193145.db2.gz CWLFCTICGDSLSV-UHFFFAOYSA-N -1 3 377.412 0.801 20 0 GCADHM COc1cccc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c1 ZINC000826213635 609193456 /nfs/dbraw/zinc/19/34/56/609193456.db2.gz FMMXPDZYRMECLW-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM COc1cccc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c1 ZINC000826213635 609193458 /nfs/dbraw/zinc/19/34/58/609193458.db2.gz FMMXPDZYRMECLW-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM O=C(Nc1nccs1)[C@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826460648 609194084 /nfs/dbraw/zinc/19/40/84/609194084.db2.gz LWGYYJBJCAMROR-CHWSQXEVSA-N -1 3 399.436 0.986 20 0 GCADHM O=C(Nc1nccs1)[C@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826460648 609194086 /nfs/dbraw/zinc/19/40/86/609194086.db2.gz LWGYYJBJCAMROR-CHWSQXEVSA-N -1 3 399.436 0.986 20 0 GCADHM O=C(NCc1cccnc1N1CCOCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443399 609194312 /nfs/dbraw/zinc/19/43/12/609194312.db2.gz NFRALKGWMWLCGP-INIZCTEOSA-N -1 3 395.423 0.448 20 0 GCADHM O=C(NCc1cccnc1N1CCOCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443399 609194314 /nfs/dbraw/zinc/19/43/14/609194314.db2.gz NFRALKGWMWLCGP-INIZCTEOSA-N -1 3 395.423 0.448 20 0 GCADHM COCC(=O)Nc1cccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826147709 609194781 /nfs/dbraw/zinc/19/47/81/609194781.db2.gz ITNAAPJDLXBCMM-KRWDZBQOSA-N -1 3 396.407 0.801 20 0 GCADHM COCC(=O)Nc1cccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826147709 609194783 /nfs/dbraw/zinc/19/47/83/609194783.db2.gz ITNAAPJDLXBCMM-KRWDZBQOSA-N -1 3 396.407 0.801 20 0 GCADHM CN1CCN(C(=O)c2ccc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826038443 609196523 /nfs/dbraw/zinc/19/65/23/609196523.db2.gz OLHZIZPUFJHMBT-UHFFFAOYSA-N -1 3 394.439 0.512 20 0 GCADHM CCNC(=O)c1cccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825476347 609199565 /nfs/dbraw/zinc/19/95/65/609199565.db2.gz HCOIDSZMNAQMNG-MRXNPFEDSA-N -1 3 380.408 0.966 20 0 GCADHM CCNC(=O)c1cccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825476347 609199567 /nfs/dbraw/zinc/19/95/67/609199567.db2.gz HCOIDSZMNAQMNG-MRXNPFEDSA-N -1 3 380.408 0.966 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)nc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826441663 609199886 /nfs/dbraw/zinc/19/98/86/609199886.db2.gz OKDKTDSYMDDDKI-OAHLLOKOSA-N -1 3 377.368 0.192 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)nc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826441663 609199888 /nfs/dbraw/zinc/19/98/88/609199888.db2.gz OKDKTDSYMDDDKI-OAHLLOKOSA-N -1 3 377.368 0.192 20 0 GCADHM COc1cccc(CC(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c1 ZINC000826215483 609202516 /nfs/dbraw/zinc/20/25/16/609202516.db2.gz PUALSVNFIOWUQZ-UHFFFAOYSA-N -1 3 395.423 0.731 20 0 GCADHM COc1cccc(CC(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c1 ZINC000826215483 609202518 /nfs/dbraw/zinc/20/25/18/609202518.db2.gz PUALSVNFIOWUQZ-UHFFFAOYSA-N -1 3 395.423 0.731 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CC[C@@H](CCO)C1 ZINC000826430623 609202917 /nfs/dbraw/zinc/20/29/17/609202917.db2.gz HEOLDTNAQMHRQI-XJKSGUPXSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CC[C@@H](CCO)C1 ZINC000826430623 609202918 /nfs/dbraw/zinc/20/29/18/609202918.db2.gz HEOLDTNAQMHRQI-XJKSGUPXSA-N -1 3 399.455 0.776 20 0 GCADHM C[C@]1(O)CCCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000824838381 609203628 /nfs/dbraw/zinc/20/36/28/609203628.db2.gz ORFGFZJVBIQOQE-KXBFYZLASA-N -1 3 399.455 0.919 20 0 GCADHM C[C@]1(O)CCCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000824838381 609203630 /nfs/dbraw/zinc/20/36/30/609203630.db2.gz ORFGFZJVBIQOQE-KXBFYZLASA-N -1 3 399.455 0.919 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N(CCO)CC1CC1 ZINC000826429958 609204894 /nfs/dbraw/zinc/20/48/94/609204894.db2.gz QMCABMIMVQNHDY-MRXNPFEDSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N(CCO)CC1CC1 ZINC000826429958 609204896 /nfs/dbraw/zinc/20/48/96/609204896.db2.gz QMCABMIMVQNHDY-MRXNPFEDSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(NC[C@H](O)C1CC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826432958 609206580 /nfs/dbraw/zinc/20/65/80/609206580.db2.gz QODDMWWMFPDKCN-CABCVRRESA-N -1 3 385.428 0.432 20 0 GCADHM O=C(NC[C@H](O)C1CC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826432958 609206581 /nfs/dbraw/zinc/20/65/81/609206581.db2.gz QODDMWWMFPDKCN-CABCVRRESA-N -1 3 385.428 0.432 20 0 GCADHM O=C(c1ccsc1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826475092 609208504 /nfs/dbraw/zinc/20/85/04/609208504.db2.gz SBKBXRXOCMCWRT-HNNXBMFYSA-N -1 3 398.448 0.946 20 0 GCADHM O=C(c1ccsc1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826475092 609208505 /nfs/dbraw/zinc/20/85/05/609208505.db2.gz SBKBXRXOCMCWRT-HNNXBMFYSA-N -1 3 398.448 0.946 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824777890 609211268 /nfs/dbraw/zinc/21/12/68/609211268.db2.gz LAVMFEWSJRLSDO-JTQLQIEISA-N -1 3 383.416 0.974 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824777890 609211271 /nfs/dbraw/zinc/21/12/71/609211271.db2.gz LAVMFEWSJRLSDO-JTQLQIEISA-N -1 3 383.416 0.974 20 0 GCADHM COCCOc1ncccc1CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826163491 609212621 /nfs/dbraw/zinc/21/26/21/609212621.db2.gz XCNBRCZFSHBAGB-HNNXBMFYSA-N -1 3 384.396 0.637 20 0 GCADHM COCCOc1ncccc1CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826163491 609212623 /nfs/dbraw/zinc/21/26/23/609212623.db2.gz XCNBRCZFSHBAGB-HNNXBMFYSA-N -1 3 384.396 0.637 20 0 GCADHM O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826429304 609214566 /nfs/dbraw/zinc/21/45/66/609214566.db2.gz ZMQIDRZUBJQEJH-YOEHRIQHSA-N -1 3 378.392 0.822 20 0 GCADHM O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826429304 609214568 /nfs/dbraw/zinc/21/45/68/609214568.db2.gz ZMQIDRZUBJQEJH-YOEHRIQHSA-N -1 3 378.392 0.822 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000826469461 609215176 /nfs/dbraw/zinc/21/51/76/609215176.db2.gz IBCQMASOEMXFSY-OAHLLOKOSA-N -1 3 397.439 0.393 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000826469461 609215177 /nfs/dbraw/zinc/21/51/77/609215177.db2.gz IBCQMASOEMXFSY-OAHLLOKOSA-N -1 3 397.439 0.393 20 0 GCADHM COc1cc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C(N)=O)cc1OC ZINC000826180489 609215459 /nfs/dbraw/zinc/21/54/59/609215459.db2.gz JSFZEKKSFDEGRC-OAHLLOKOSA-N -1 3 398.379 0.655 20 0 GCADHM COc1cc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C(N)=O)cc1OC ZINC000826180489 609215462 /nfs/dbraw/zinc/21/54/62/609215462.db2.gz JSFZEKKSFDEGRC-OAHLLOKOSA-N -1 3 398.379 0.655 20 0 GCADHM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824266590 609216031 /nfs/dbraw/zinc/21/60/31/609216031.db2.gz NNYBYNGZAZBIRD-UONOGXRCSA-N -1 3 390.469 0.574 20 0 GCADHM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824266590 609216033 /nfs/dbraw/zinc/21/60/33/609216033.db2.gz NNYBYNGZAZBIRD-UONOGXRCSA-N -1 3 390.469 0.574 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000826398772 609217034 /nfs/dbraw/zinc/21/70/34/609217034.db2.gz FSXVOSLZECFFPQ-ZIAGYGMSSA-N -1 3 388.453 0.424 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000826398772 609217036 /nfs/dbraw/zinc/21/70/36/609217036.db2.gz FSXVOSLZECFFPQ-ZIAGYGMSSA-N -1 3 388.453 0.424 20 0 GCADHM O=C(Cc1cccc(F)c1)NCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826423381 609218280 /nfs/dbraw/zinc/21/82/80/609218280.db2.gz MJOYCJSMNUJJAO-QGZVFWFLSA-N -1 3 398.398 0.514 20 0 GCADHM O=C(Cc1cccc(F)c1)NCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826423381 609218282 /nfs/dbraw/zinc/21/82/82/609218282.db2.gz MJOYCJSMNUJJAO-QGZVFWFLSA-N -1 3 398.398 0.514 20 0 GCADHM O=C(NCCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000826436842 609218507 /nfs/dbraw/zinc/21/85/07/609218507.db2.gz LLKUKEYBYHTSNY-AWEZNQCLSA-N -1 3 386.437 0.898 20 0 GCADHM O=C(NCCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000826436842 609218508 /nfs/dbraw/zinc/21/85/08/609218508.db2.gz LLKUKEYBYHTSNY-AWEZNQCLSA-N -1 3 386.437 0.898 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391219 609219198 /nfs/dbraw/zinc/21/91/98/609219198.db2.gz WWQLUOBDQLAKJD-CHWSQXEVSA-N -1 3 376.442 0.280 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391219 609219200 /nfs/dbraw/zinc/21/92/00/609219200.db2.gz WWQLUOBDQLAKJD-CHWSQXEVSA-N -1 3 376.442 0.280 20 0 GCADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824178140 609219244 /nfs/dbraw/zinc/21/92/44/609219244.db2.gz NGINVHDAFMHUJN-BBRMVZONSA-N -1 3 386.456 0.911 20 0 GCADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824178140 609219245 /nfs/dbraw/zinc/21/92/45/609219245.db2.gz NGINVHDAFMHUJN-BBRMVZONSA-N -1 3 386.456 0.911 20 0 GCADHM O=C(NCCN1C(=O)Cc2ccccc21)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826437691 609220329 /nfs/dbraw/zinc/22/03/29/609220329.db2.gz XKHQDYZSNKHWNV-QGZVFWFLSA-N -1 3 378.392 0.606 20 0 GCADHM O=C(NCCN1C(=O)Cc2ccccc21)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826437691 609220330 /nfs/dbraw/zinc/22/03/30/609220330.db2.gz XKHQDYZSNKHWNV-QGZVFWFLSA-N -1 3 378.392 0.606 20 0 GCADHM CCOC(=O)N(C)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825517830 609221094 /nfs/dbraw/zinc/22/10/94/609221094.db2.gz OABQGJCPPHPPIZ-HNNXBMFYSA-N -1 3 388.428 0.979 20 0 GCADHM CCOC(=O)N(C)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825517830 609221096 /nfs/dbraw/zinc/22/10/96/609221096.db2.gz OABQGJCPPHPPIZ-HNNXBMFYSA-N -1 3 388.428 0.979 20 0 GCADHM Cc1nnnn1-c1cc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826338065 609222493 /nfs/dbraw/zinc/22/24/93/609222493.db2.gz JUJWTORJLRMLIQ-HNNXBMFYSA-N -1 3 395.358 0.962 20 0 GCADHM Cc1nnnn1-c1cc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826338065 609222495 /nfs/dbraw/zinc/22/24/95/609222495.db2.gz JUJWTORJLRMLIQ-HNNXBMFYSA-N -1 3 395.358 0.962 20 0 GCADHM Cc1nc(CN2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)oc1C ZINC000826325569 609222851 /nfs/dbraw/zinc/22/28/51/609222851.db2.gz CNQJGTBYYZZQPX-KRWDZBQOSA-N -1 3 397.439 0.849 20 0 GCADHM Cc1nc(CN2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)oc1C ZINC000826325569 609222854 /nfs/dbraw/zinc/22/28/54/609222854.db2.gz CNQJGTBYYZZQPX-KRWDZBQOSA-N -1 3 397.439 0.849 20 0 GCADHM COC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000826102975 609223981 /nfs/dbraw/zinc/22/39/81/609223981.db2.gz BJNUGBQCAIQKRO-CVEARBPZSA-N -1 3 397.391 0.939 20 0 GCADHM COC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000826102975 609223983 /nfs/dbraw/zinc/22/39/83/609223983.db2.gz BJNUGBQCAIQKRO-CVEARBPZSA-N -1 3 397.391 0.939 20 0 GCADHM CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825805144 609224781 /nfs/dbraw/zinc/22/47/81/609224781.db2.gz UVCYFPHGHJYBMA-CABCVRRESA-N -1 3 382.428 0.918 20 0 GCADHM CCn1cnnc1[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825805144 609224782 /nfs/dbraw/zinc/22/47/82/609224782.db2.gz UVCYFPHGHJYBMA-CABCVRRESA-N -1 3 382.428 0.918 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC000824505386 609225154 /nfs/dbraw/zinc/22/51/54/609225154.db2.gz CFDWEGYCTGHACQ-MFKMUULPSA-N -1 3 391.432 0.949 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC000824505386 609225156 /nfs/dbraw/zinc/22/51/56/609225156.db2.gz CFDWEGYCTGHACQ-MFKMUULPSA-N -1 3 391.432 0.949 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCN(c2cccnn2)CC1 ZINC000826397417 609226168 /nfs/dbraw/zinc/22/61/68/609226168.db2.gz CTKAUVWJCLEJCR-INIZCTEOSA-N -1 3 380.412 0.429 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCCN(c2cccnn2)CC1 ZINC000826397417 609226170 /nfs/dbraw/zinc/22/61/70/609226170.db2.gz CTKAUVWJCLEJCR-INIZCTEOSA-N -1 3 380.412 0.429 20 0 GCADHM CCc1nc(CN2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000825745796 609227039 /nfs/dbraw/zinc/22/70/39/609227039.db2.gz PDARKEKIUMFRQB-INIZCTEOSA-N -1 3 398.427 0.190 20 0 GCADHM CCc1nc(CN2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000825745796 609227040 /nfs/dbraw/zinc/22/70/40/609227040.db2.gz PDARKEKIUMFRQB-INIZCTEOSA-N -1 3 398.427 0.190 20 0 GCADHM Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000826265361 609228367 /nfs/dbraw/zinc/22/83/67/609228367.db2.gz WIXAXGQRQARQKR-DLBZAZTESA-N -1 3 397.439 0.641 20 0 GCADHM Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000826265361 609228368 /nfs/dbraw/zinc/22/83/68/609228368.db2.gz WIXAXGQRQARQKR-DLBZAZTESA-N -1 3 397.439 0.641 20 0 GCADHM O=C(NCCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000826437119 609229114 /nfs/dbraw/zinc/22/91/14/609229114.db2.gz WYUSXMPNUXNUNU-INIZCTEOSA-N -1 3 398.398 0.976 20 0 GCADHM O=C(NCCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000826437119 609229116 /nfs/dbraw/zinc/22/91/16/609229116.db2.gz WYUSXMPNUXNUNU-INIZCTEOSA-N -1 3 398.398 0.976 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(C(N)=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259661 609230253 /nfs/dbraw/zinc/23/02/53/609230253.db2.gz ZHDJFFPXEMSEFD-GFCCVEGCSA-N -1 3 381.400 0.244 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(C(N)=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259661 609230254 /nfs/dbraw/zinc/23/02/54/609230254.db2.gz ZHDJFFPXEMSEFD-GFCCVEGCSA-N -1 3 381.400 0.244 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824449639 609230911 /nfs/dbraw/zinc/23/09/11/609230911.db2.gz OJNZNVBUZOEHCP-YGRLFVJLSA-N -1 3 379.442 0.324 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824449639 609230912 /nfs/dbraw/zinc/23/09/12/609230912.db2.gz OJNZNVBUZOEHCP-YGRLFVJLSA-N -1 3 379.442 0.324 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1cccnn1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435068 609233151 /nfs/dbraw/zinc/23/31/51/609233151.db2.gz FVZAGLSYOHPEME-HOCLYGCPSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1cccnn1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435068 609233152 /nfs/dbraw/zinc/23/31/52/609233152.db2.gz FVZAGLSYOHPEME-HOCLYGCPSA-N -1 3 380.412 0.475 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000824746971 609235735 /nfs/dbraw/zinc/23/57/35/609235735.db2.gz XSFOYSDHMVIVFF-OLZOCXBDSA-N -1 3 389.412 0.672 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000824746971 609235736 /nfs/dbraw/zinc/23/57/36/609235736.db2.gz XSFOYSDHMVIVFF-OLZOCXBDSA-N -1 3 389.412 0.672 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000825583328 609236675 /nfs/dbraw/zinc/23/66/75/609236675.db2.gz SYXZNQFMPWZGKF-OAGGEKHMSA-N -1 3 387.440 0.679 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825583328 609236676 /nfs/dbraw/zinc/23/66/76/609236676.db2.gz SYXZNQFMPWZGKF-OAGGEKHMSA-N -1 3 387.440 0.679 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000825812864 609236846 /nfs/dbraw/zinc/23/68/46/609236846.db2.gz WKCNCOMZYUDQJO-RBSFLKMASA-N -1 3 393.469 0.714 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000825812864 609236847 /nfs/dbraw/zinc/23/68/47/609236847.db2.gz WKCNCOMZYUDQJO-RBSFLKMASA-N -1 3 393.469 0.714 20 0 GCADHM COC(=O)[C@H](OC(=O)c1nccn2ccnc12)c1cccc(-c2nnn[n-]2)c1 ZINC000826117904 609239216 /nfs/dbraw/zinc/23/92/16/609239216.db2.gz VBADCKOQCINLLP-CYBMUJFWSA-N -1 3 379.336 0.981 20 0 GCADHM COC(=O)[C@H](OC(=O)c1nccn2ccnc12)c1cccc(-c2nn[n-]n2)c1 ZINC000826117904 609239217 /nfs/dbraw/zinc/23/92/17/609239217.db2.gz VBADCKOQCINLLP-CYBMUJFWSA-N -1 3 379.336 0.981 20 0 GCADHM CC[C@@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000825203578 609239577 /nfs/dbraw/zinc/23/95/77/609239577.db2.gz NLYYVHZZNUHPMI-XYPHTWIQSA-N -1 3 386.456 0.469 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000826482430 609240600 /nfs/dbraw/zinc/24/06/00/609240600.db2.gz DMKOTASKAZJDDG-KGLIPLIRSA-N -1 3 384.421 0.661 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000826482430 609240602 /nfs/dbraw/zinc/24/06/02/609240602.db2.gz DMKOTASKAZJDDG-KGLIPLIRSA-N -1 3 384.421 0.661 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824100842 609241919 /nfs/dbraw/zinc/24/19/19/609241919.db2.gz YOELJHRIUJUJAZ-ZIAGYGMSSA-N -1 3 389.412 0.469 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824100842 609241920 /nfs/dbraw/zinc/24/19/20/609241920.db2.gz YOELJHRIUJUJAZ-ZIAGYGMSSA-N -1 3 389.412 0.469 20 0 GCADHM CN1C(=O)COc2ccc(NC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000826018361 609242711 /nfs/dbraw/zinc/24/27/11/609242711.db2.gz WVLPMLMVPUUSJS-INIZCTEOSA-N -1 3 380.364 0.894 20 0 GCADHM CN1C(=O)COc2ccc(NC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000826018361 609242712 /nfs/dbraw/zinc/24/27/12/609242712.db2.gz WVLPMLMVPUUSJS-INIZCTEOSA-N -1 3 380.364 0.894 20 0 GCADHM C[C@H](N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)F ZINC000824465737 609245024 /nfs/dbraw/zinc/24/50/24/609245024.db2.gz RSTNVTAMQKCTJN-GXFFZTMASA-N -1 3 384.362 0.995 20 0 GCADHM C[C@H](N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)F ZINC000824465737 609245026 /nfs/dbraw/zinc/24/50/26/609245026.db2.gz RSTNVTAMQKCTJN-GXFFZTMASA-N -1 3 384.362 0.995 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000826398095 609245121 /nfs/dbraw/zinc/24/51/21/609245121.db2.gz QBEVOJBAGTVURM-GOSISDBHSA-N -1 3 394.435 0.950 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000826398095 609245123 /nfs/dbraw/zinc/24/51/23/609245123.db2.gz QBEVOJBAGTVURM-GOSISDBHSA-N -1 3 394.435 0.950 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824364401 609245556 /nfs/dbraw/zinc/24/55/56/609245556.db2.gz DZVGUQSLJXEQJN-DZGCQCFKSA-N -1 3 382.428 0.746 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824364401 609245557 /nfs/dbraw/zinc/24/55/57/609245557.db2.gz DZVGUQSLJXEQJN-DZGCQCFKSA-N -1 3 382.428 0.746 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnc2c(c1)COCC2 ZINC000826441162 609248052 /nfs/dbraw/zinc/24/80/52/609248052.db2.gz QNUFNPHEXVKJEZ-UHFFFAOYSA-N -1 3 379.380 0.589 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc2c(c1)COCC2 ZINC000826441162 609248054 /nfs/dbraw/zinc/24/80/54/609248054.db2.gz QNUFNPHEXVKJEZ-UHFFFAOYSA-N -1 3 379.380 0.589 20 0 GCADHM O=C(NC[C@H](O)COc1ccc(F)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432667 609249007 /nfs/dbraw/zinc/24/90/07/609249007.db2.gz HOSMZCYVQCTCHT-HOCLYGCPSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(NC[C@H](O)COc1ccc(F)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432667 609249009 /nfs/dbraw/zinc/24/90/09/609249009.db2.gz HOSMZCYVQCTCHT-HOCLYGCPSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826429580 609250223 /nfs/dbraw/zinc/25/02/23/609250223.db2.gz HUEGVOHHNMALRU-ZACQAIPSSA-N -1 3 386.456 0.660 20 0 GCADHM O=C(C[C@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000826405127 609250424 /nfs/dbraw/zinc/25/04/24/609250424.db2.gz WLQVRBKUMRDKDU-YOEHRIQHSA-N -1 3 397.391 0.994 20 0 GCADHM O=C(C[C@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000826405127 609250426 /nfs/dbraw/zinc/25/04/26/609250426.db2.gz WLQVRBKUMRDKDU-YOEHRIQHSA-N -1 3 397.391 0.994 20 0 GCADHM O=C(N[C@H]1CCN(C2CCCCC2)C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431009 609251278 /nfs/dbraw/zinc/25/12/78/609251278.db2.gz POJJHLAVYRYCSY-HOTGVXAUSA-N -1 3 384.440 0.950 20 0 GCADHM O=C(N[C@H]1CCN(C2CCCCC2)C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431009 609251279 /nfs/dbraw/zinc/25/12/79/609251279.db2.gz POJJHLAVYRYCSY-HOTGVXAUSA-N -1 3 384.440 0.950 20 0 GCADHM Cc1cnc(CN(C)[C@H]2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)o1 ZINC000826318575 609251294 /nfs/dbraw/zinc/25/12/94/609251294.db2.gz PRVWYVSHZJZXCE-RDJZCZTQSA-N -1 3 397.439 0.929 20 0 GCADHM Cc1cnc(CN(C)[C@H]2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)o1 ZINC000826318575 609251295 /nfs/dbraw/zinc/25/12/95/609251295.db2.gz PRVWYVSHZJZXCE-RDJZCZTQSA-N -1 3 397.439 0.929 20 0 GCADHM CN(CC(C)(CO)CO)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825897881 609256042 /nfs/dbraw/zinc/25/60/42/609256042.db2.gz PPVPVRYNXLBFBE-UHFFFAOYSA-N -1 3 390.444 0.425 20 0 GCADHM CN(CC(C)(CO)CO)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825897881 609256043 /nfs/dbraw/zinc/25/60/43/609256043.db2.gz PPVPVRYNXLBFBE-UHFFFAOYSA-N -1 3 390.444 0.425 20 0 GCADHM COCCOc1cc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)ccn1 ZINC000826161191 609256314 /nfs/dbraw/zinc/25/63/14/609256314.db2.gz XEXLQLYWLHSBDQ-UHFFFAOYSA-N -1 3 385.384 0.951 20 0 GCADHM COCCOc1cc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)ccn1 ZINC000826161191 609256315 /nfs/dbraw/zinc/25/63/15/609256315.db2.gz XEXLQLYWLHSBDQ-UHFFFAOYSA-N -1 3 385.384 0.951 20 0 GCADHM Cc1cc(C(=O)N2CCC(OCCO)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258099 609256653 /nfs/dbraw/zinc/25/66/53/609256653.db2.gz ZGDSAUIREFTNDZ-UHFFFAOYSA-N -1 3 397.439 0.974 20 0 GCADHM Cc1cc(C(=O)N2CCC(OCCO)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258099 609256655 /nfs/dbraw/zinc/25/66/55/609256655.db2.gz ZGDSAUIREFTNDZ-UHFFFAOYSA-N -1 3 397.439 0.974 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824808032 609260858 /nfs/dbraw/zinc/26/08/58/609260858.db2.gz PBKHJMABPQUWQU-OAHLLOKOSA-N -1 3 384.440 0.760 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824808032 609260859 /nfs/dbraw/zinc/26/08/59/609260859.db2.gz PBKHJMABPQUWQU-OAHLLOKOSA-N -1 3 384.440 0.760 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC000825845059 609264112 /nfs/dbraw/zinc/26/41/12/609264112.db2.gz AGZSYXMXWVQFOS-UHFFFAOYSA-N -1 3 386.460 0.883 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825466239 609265492 /nfs/dbraw/zinc/26/54/92/609265492.db2.gz XMCWZSWSRJMSLV-JKSUJKDBSA-N -1 3 399.455 0.199 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825466239 609265493 /nfs/dbraw/zinc/26/54/93/609265493.db2.gz XMCWZSWSRJMSLV-JKSUJKDBSA-N -1 3 399.455 0.199 20 0 GCADHM Cc1c[nH]cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1=O ZINC000826319216 609265583 /nfs/dbraw/zinc/26/55/83/609265583.db2.gz SORBETATVRCDPH-HNNXBMFYSA-N -1 3 393.407 0.789 20 0 GCADHM Cc1c[nH]cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1=O ZINC000826319216 609265584 /nfs/dbraw/zinc/26/55/84/609265584.db2.gz SORBETATVRCDPH-HNNXBMFYSA-N -1 3 393.407 0.789 20 0 GCADHM 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ZINC000826429742 609266035 /nfs/dbraw/zinc/26/60/35/609266035.db2.gz LXEKKHCVWKWQDD-JKSUJKDBSA-N -1 3 393.407 0.607 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H](O)c1cccnc1 ZINC000826429742 609266036 /nfs/dbraw/zinc/26/60/36/609266036.db2.gz LXEKKHCVWKWQDD-JKSUJKDBSA-N -1 3 393.407 0.607 20 0 GCADHM COCCn1cc2c(n1)[C@@H](NC(=O)CNc1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000826164057 609266961 /nfs/dbraw/zinc/26/69/61/609266961.db2.gz XGURAIONYPWWMI-AWEZNQCLSA-N -1 3 397.443 0.710 20 0 GCADHM COCCn1cc2c(n1)[C@@H](NC(=O)CNc1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000826164057 609266963 /nfs/dbraw/zinc/26/69/63/609266963.db2.gz XGURAIONYPWWMI-AWEZNQCLSA-N -1 3 397.443 0.710 20 0 GCADHM Cc1csc(=Nc2ccccc2-c2nnn[n-]2)n1CCN1CCNC(=O)C1 ZINC000826320146 609274414 /nfs/dbraw/zinc/27/44/14/609274414.db2.gz IFWGYQIEQMUZGB-UHFFFAOYSA-N -1 3 384.469 0.702 20 0 GCADHM Cc1csc(=Nc2ccccc2-c2nn[n-]n2)n1CCN1CCNC(=O)C1 ZINC000826320146 609274416 /nfs/dbraw/zinc/27/44/16/609274416.db2.gz IFWGYQIEQMUZGB-UHFFFAOYSA-N 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ZINC000826162373 609485686 /nfs/dbraw/zinc/48/56/86/609485686.db2.gz ZCDPUYGLLQLDTQ-UHFFFAOYSA-N -1 3 384.462 0.585 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCCS(=O)(=O)N(C)C ZINC000826162373 609485689 /nfs/dbraw/zinc/48/56/89/609485689.db2.gz ZCDPUYGLLQLDTQ-UHFFFAOYSA-N -1 3 384.462 0.585 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000826468945 609487965 /nfs/dbraw/zinc/48/79/65/609487965.db2.gz NZBVUEGCDOWSKY-UHFFFAOYSA-N -1 3 399.436 0.412 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000826468945 609487967 /nfs/dbraw/zinc/48/79/67/609487967.db2.gz NZBVUEGCDOWSKY-UHFFFAOYSA-N -1 3 399.436 0.412 20 0 GCADHM Cc1nnc(SCC(=O)NCC(=O)OC(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000826336669 609488671 /nfs/dbraw/zinc/48/86/71/609488671.db2.gz IOOQCRCDEDNHOW-UHFFFAOYSA-N -1 3 379.446 0.824 20 0 GCADHM Cc1nnc(SCC(=O)NCC(=O)OC(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826336669 609488674 /nfs/dbraw/zinc/48/86/74/609488674.db2.gz IOOQCRCDEDNHOW-UHFFFAOYSA-N -1 3 379.446 0.824 20 0 GCADHM O=S(=O)([C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1)N1CCOCC1 ZINC000826483840 609494096 /nfs/dbraw/zinc/49/40/96/609494096.db2.gz BRDCVWOHVXRJPM-LBPRGKRZSA-N -1 3 396.448 0.637 20 0 GCADHM O=S(=O)([C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1)N1CCOCC1 ZINC000826483840 609494097 /nfs/dbraw/zinc/49/40/97/609494097.db2.gz BRDCVWOHVXRJPM-LBPRGKRZSA-N -1 3 396.448 0.637 20 0 GCADHM C[C@H](CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)S(N)(=O)=O ZINC000824420497 609494885 /nfs/dbraw/zinc/49/48/85/609494885.db2.gz LNLDHNKTOZFIEC-ZCFIWIBFSA-N -1 3 393.351 0.684 20 0 GCADHM C[C@H](CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)S(N)(=O)=O ZINC000824420497 609494887 /nfs/dbraw/zinc/49/48/87/609494887.db2.gz LNLDHNKTOZFIEC-ZCFIWIBFSA-N -1 3 393.351 0.684 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CCO2)no1 ZINC000826324752 609497238 /nfs/dbraw/zinc/49/72/38/609497238.db2.gz DDSZIVSCGQYTMQ-NSHDSACASA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CCO2)no1 ZINC000826324752 609497240 /nfs/dbraw/zinc/49/72/40/609497240.db2.gz DDSZIVSCGQYTMQ-NSHDSACASA-N -1 3 377.386 0.320 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)c1-c1nnn[n-]1 ZINC000826300919 609497348 /nfs/dbraw/zinc/49/73/48/609497348.db2.gz LMSPVLHNGSHVPX-SNVBAGLBSA-N -1 3 390.429 0.066 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)c1-c1nn[n-]n1 ZINC000826300919 609497350 /nfs/dbraw/zinc/49/73/50/609497350.db2.gz LMSPVLHNGSHVPX-SNVBAGLBSA-N -1 3 390.429 0.066 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3cc(-c4nnn[n-]4)ccc3C)CCO2)no1 ZINC000826325206 609497392 /nfs/dbraw/zinc/49/73/92/609497392.db2.gz QRXGKQGWNHUSFF-GFCCVEGCSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)CCO2)no1 ZINC000826325206 609497393 /nfs/dbraw/zinc/49/73/93/609497393.db2.gz QRXGKQGWNHUSFF-GFCCVEGCSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC(n3cc([C@H](C)O)nn3)C2)c1-c1nnn[n-]1 ZINC000826300918 609497448 /nfs/dbraw/zinc/49/74/48/609497448.db2.gz LMSPVLHNGSHVPX-JTQLQIEISA-N -1 3 390.429 0.066 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC(n3cc([C@H](C)O)nn3)C2)c1-c1nn[n-]n1 ZINC000826300918 609497450 /nfs/dbraw/zinc/49/74/50/609497450.db2.gz LMSPVLHNGSHVPX-JTQLQIEISA-N -1 3 390.429 0.066 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)no1 ZINC000826324994 609497507 /nfs/dbraw/zinc/49/75/07/609497507.db2.gz KJJKNUCWWIEXBJ-CYBMUJFWSA-N -1 3 391.413 0.461 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)no1 ZINC000826324994 609497508 /nfs/dbraw/zinc/49/75/08/609497508.db2.gz KJJKNUCWWIEXBJ-CYBMUJFWSA-N -1 3 391.413 0.461 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000826337284 609498164 /nfs/dbraw/zinc/49/81/64/609498164.db2.gz JDNKCROUUDYOFO-JTQLQIEISA-N -1 3 378.393 0.199 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3C)CCO2)no1 ZINC000826325414 609498267 /nfs/dbraw/zinc/49/82/67/609498267.db2.gz WXSYJARTSLUXCN-GFCCVEGCSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3C)CCO2)no1 ZINC000826325414 609498270 /nfs/dbraw/zinc/49/82/70/609498270.db2.gz WXSYJARTSLUXCN-GFCCVEGCSA-N -1 3 391.413 0.629 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000824364509 609498720 /nfs/dbraw/zinc/49/87/20/609498720.db2.gz JFZKGPPLCHCZES-LBPRGKRZSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000824364509 609498723 /nfs/dbraw/zinc/49/87/23/609498723.db2.gz JFZKGPPLCHCZES-LBPRGKRZSA-N -1 3 388.457 0.875 20 0 GCADHM CCc1nnc2n1C[C@@H](NS(=O)(=O)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000825771441 609498940 /nfs/dbraw/zinc/49/89/40/609498940.db2.gz LVXYWGGLGIPYCR-ZDUSSCGKSA-N -1 3 388.457 0.455 20 0 GCADHM CCc1nnc2n1C[C@@H](NS(=O)(=O)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000825771441 609498942 /nfs/dbraw/zinc/49/89/42/609498942.db2.gz LVXYWGGLGIPYCR-ZDUSSCGKSA-N -1 3 388.457 0.455 20 0 GCADHM CCc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000825771629 609499739 /nfs/dbraw/zinc/49/97/39/609499739.db2.gz NIQABRRIUYFYIF-JTQLQIEISA-N -1 3 392.420 0.453 20 0 GCADHM Cc1nc([C@H]2COCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826324949 609503760 /nfs/dbraw/zinc/50/37/60/609503760.db2.gz JJOBWURTAFSAKG-IINYFYTJSA-N -1 3 385.384 0.926 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000826176091 609510098 /nfs/dbraw/zinc/51/00/98/609510098.db2.gz AKFVIGKMVMTEAT-UHFFFAOYSA-N -1 3 375.366 0.742 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000826176091 609510101 /nfs/dbraw/zinc/51/01/01/609510101.db2.gz AKFVIGKMVMTEAT-UHFFFAOYSA-N -1 3 375.366 0.742 20 0 GCADHM COCc1nc(CN2C(=O)N[C@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)no1 ZINC000826165182 609512261 /nfs/dbraw/zinc/51/22/61/609512261.db2.gz JELWHRCHNVVLEW-MRXNPFEDSA-N -1 3 384.356 0.363 20 0 GCADHM COCc1nc(CN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)no1 ZINC000826165182 609512262 /nfs/dbraw/zinc/51/22/62/609512262.db2.gz JELWHRCHNVVLEW-MRXNPFEDSA-N -1 3 384.356 0.363 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259148 609512746 /nfs/dbraw/zinc/51/27/46/609512746.db2.gz JKORDYUDOXVUIK-GFCCVEGCSA-N -1 3 387.425 0.278 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259148 609512749 /nfs/dbraw/zinc/51/27/49/609512749.db2.gz JKORDYUDOXVUIK-GFCCVEGCSA-N -1 3 387.425 0.278 20 0 GCADHM COCc1nc(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)no1 ZINC000826165167 609515019 /nfs/dbraw/zinc/51/50/19/609515019.db2.gz IJRNHFNOCWLFPK-MRXNPFEDSA-N -1 3 384.356 0.363 20 0 GCADHM COCc1nc(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)no1 ZINC000826165167 609515020 /nfs/dbraw/zinc/51/50/20/609515020.db2.gz IJRNHFNOCWLFPK-MRXNPFEDSA-N -1 3 384.356 0.363 20 0 GCADHM Cc1ccnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826310754 609527130 /nfs/dbraw/zinc/52/71/30/609527130.db2.gz HIQYNMDVCDQUAC-MRXNPFEDSA-N -1 3 378.440 0.919 20 0 GCADHM Cc1ccnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826310754 609527133 /nfs/dbraw/zinc/52/71/33/609527133.db2.gz HIQYNMDVCDQUAC-MRXNPFEDSA-N -1 3 378.440 0.919 20 0 GCADHM C[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCS(=O)(=O)C1 ZINC000824838908 609534203 /nfs/dbraw/zinc/53/42/03/609534203.db2.gz WOEOUSBHYDZDDO-GFCCVEGCSA-N -1 3 391.862 0.376 20 0 GCADHM C[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCS(=O)(=O)C1 ZINC000824838908 609534205 /nfs/dbraw/zinc/53/42/05/609534205.db2.gz WOEOUSBHYDZDDO-GFCCVEGCSA-N -1 3 391.862 0.376 20 0 GCADHM CC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000823973178 609535576 /nfs/dbraw/zinc/53/55/76/609535576.db2.gz IXLCSQQNVAMVFA-UHFFFAOYSA-N -1 3 384.849 0.809 20 0 GCADHM CC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000823973178 609535577 /nfs/dbraw/zinc/53/55/77/609535577.db2.gz IXLCSQQNVAMVFA-UHFFFAOYSA-N -1 3 384.849 0.809 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825839515 609536454 /nfs/dbraw/zinc/53/64/54/609536454.db2.gz IDBLYKMGWGLWCS-NSHDSACASA-N -1 3 384.849 0.761 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825839515 609536456 /nfs/dbraw/zinc/53/64/56/609536456.db2.gz IDBLYKMGWGLWCS-NSHDSACASA-N -1 3 384.849 0.761 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)NCc1ccco1 ZINC000826413146 609537331 /nfs/dbraw/zinc/53/73/31/609537331.db2.gz SZDHRDCIJLAGSM-UHFFFAOYSA-N -1 3 396.816 0.708 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)NCc1ccco1 ZINC000826413146 609537333 /nfs/dbraw/zinc/53/73/33/609537333.db2.gz SZDHRDCIJLAGSM-UHFFFAOYSA-N -1 3 396.816 0.708 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824909858 609538596 /nfs/dbraw/zinc/53/85/96/609538596.db2.gz VKVURSDALWYUKM-PSASIEDQSA-N -1 3 384.849 0.795 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824909858 609538598 /nfs/dbraw/zinc/53/85/98/609538598.db2.gz VKVURSDALWYUKM-PSASIEDQSA-N -1 3 384.849 0.795 20 0 GCADHM NC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCCCC1 ZINC000826389822 609541747 /nfs/dbraw/zinc/54/17/47/609541747.db2.gz JJOSPSPRDVZDLP-UHFFFAOYSA-N -1 3 384.849 0.987 20 0 GCADHM NC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCCCC1 ZINC000826389822 609541749 /nfs/dbraw/zinc/54/17/49/609541749.db2.gz JJOSPSPRDVZDLP-UHFFFAOYSA-N -1 3 384.849 0.987 20 0 GCADHM Cc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1Cl)C2 ZINC000826337202 609545625 /nfs/dbraw/zinc/54/56/25/609545625.db2.gz GNOGMEOGPRQNDG-UHFFFAOYSA-N -1 3 380.821 0.625 20 0 GCADHM Cc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1Cl)C2 ZINC000826337202 609545627 /nfs/dbraw/zinc/54/56/27/609545627.db2.gz GNOGMEOGPRQNDG-UHFFFAOYSA-N -1 3 380.821 0.625 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCS1(=O)=O ZINC000824992273 609547385 /nfs/dbraw/zinc/54/73/85/609547385.db2.gz LHBBXVSDXHAIBO-QMMMGPOBSA-N -1 3 391.862 0.328 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCS1(=O)=O ZINC000824992273 609547387 /nfs/dbraw/zinc/54/73/87/609547387.db2.gz LHBBXVSDXHAIBO-QMMMGPOBSA-N -1 3 391.862 0.328 20 0 GCADHM CCN1CCO[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825466020 609547536 /nfs/dbraw/zinc/54/75/36/609547536.db2.gz VXMRMFJTTJYGJE-LLVKDONJSA-N -1 3 386.865 0.519 20 0 GCADHM CCN1CCO[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825466020 609547537 /nfs/dbraw/zinc/54/75/37/609547537.db2.gz VXMRMFJTTJYGJE-LLVKDONJSA-N -1 3 386.865 0.519 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(c3ccc4nncn4n3)CC2)c1-c1nnn[n-]1 ZINC000826237869 609548717 /nfs/dbraw/zinc/54/87/17/609548717.db2.gz NZWGISAACXWZFR-UHFFFAOYSA-N -1 3 397.834 0.988 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(c3ccc4nncn4n3)CC2)c1-c1nn[n-]n1 ZINC000826237869 609548720 /nfs/dbraw/zinc/54/87/20/609548720.db2.gz NZWGISAACXWZFR-UHFFFAOYSA-N -1 3 397.834 0.988 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824707138 609548841 /nfs/dbraw/zinc/54/88/41/609548841.db2.gz OCEORPBGNSKKPH-JTQLQIEISA-N -1 3 386.865 0.207 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824707138 609548842 /nfs/dbraw/zinc/54/88/42/609548842.db2.gz OCEORPBGNSKKPH-JTQLQIEISA-N -1 3 386.865 0.207 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H](OCCO)C1 ZINC000826494011 609550322 /nfs/dbraw/zinc/55/03/22/609550322.db2.gz LQVXINVIOTYWKH-LLVKDONJSA-N -1 3 387.849 0.682 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H](OCCO)C1 ZINC000826494011 609550325 /nfs/dbraw/zinc/55/03/25/609550325.db2.gz LQVXINVIOTYWKH-LLVKDONJSA-N -1 3 387.849 0.682 20 0 GCADHM Cc1ccnc(NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826314150 609552435 /nfs/dbraw/zinc/55/24/35/609552435.db2.gz IVYARTPCFMEJTG-LBPRGKRZSA-N -1 3 381.462 0.471 20 0 GCADHM Cc1ccnc(NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826314150 609552439 /nfs/dbraw/zinc/55/24/39/609552439.db2.gz IVYARTPCFMEJTG-LBPRGKRZSA-N -1 3 381.462 0.471 20 0 GCADHM Cc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257430 609554193 /nfs/dbraw/zinc/55/41/93/609554193.db2.gz CAPSKORCKKUZHU-AWEZNQCLSA-N -1 3 396.455 0.499 20 0 GCADHM Cc1cc(C(=O)N2CCN(C[C@H](C)O)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257430 609554195 /nfs/dbraw/zinc/55/41/95/609554195.db2.gz CAPSKORCKKUZHU-AWEZNQCLSA-N -1 3 396.455 0.499 20 0 GCADHM NC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826391946 609554749 /nfs/dbraw/zinc/55/47/49/609554749.db2.gz IFAVCRLCMPBLLV-UHFFFAOYSA-N -1 3 385.837 0.342 20 0 GCADHM NC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826391946 609554753 /nfs/dbraw/zinc/55/47/53/609554753.db2.gz IFAVCRLCMPBLLV-UHFFFAOYSA-N -1 3 385.837 0.342 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CN1C1CC1 ZINC000826478729 609555046 /nfs/dbraw/zinc/55/50/46/609555046.db2.gz ISFYKAQUOHCCER-SECBINFHSA-N -1 3 382.833 0.562 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CN1C1CC1 ZINC000826478729 609555048 /nfs/dbraw/zinc/55/50/48/609555048.db2.gz ISFYKAQUOHCCER-SECBINFHSA-N -1 3 382.833 0.562 20 0 GCADHM COC(=O)[C@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCOC1 ZINC000826124524 609556370 /nfs/dbraw/zinc/55/63/70/609556370.db2.gz SHOLSUZIFOPXIH-ZDUSSCGKSA-N -1 3 387.805 0.131 20 0 GCADHM COC(=O)[C@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCOC1 ZINC000826124524 609556372 /nfs/dbraw/zinc/55/63/72/609556372.db2.gz SHOLSUZIFOPXIH-ZDUSSCGKSA-N -1 3 387.805 0.131 20 0 GCADHM COC[C@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(=O)OC ZINC000826148934 609556788 /nfs/dbraw/zinc/55/67/88/609556788.db2.gz UPNZUBLYEMCNFG-ZDUSSCGKSA-N -1 3 389.821 0.377 20 0 GCADHM COC[C@](C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)C(=O)OC ZINC000826148934 609556790 /nfs/dbraw/zinc/55/67/90/609556790.db2.gz UPNZUBLYEMCNFG-ZDUSSCGKSA-N -1 3 389.821 0.377 20 0 GCADHM CCN1CCO[C@H](CNC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000825465949 609560392 /nfs/dbraw/zinc/56/03/92/609560392.db2.gz UGMQCTVQWQHIMB-MRXNPFEDSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1c(Cl)cnc(Nc2cnn(CC(=O)NCCO)c2)c1-c1nnn[n-]1 ZINC000826240264 609563833 /nfs/dbraw/zinc/56/38/33/609563833.db2.gz KROSPGSUAJDSBV-UHFFFAOYSA-N -1 3 377.796 0.272 20 0 GCADHM Cc1c(Cl)cnc(Nc2cnn(CC(=O)NCCO)c2)c1-c1nn[n-]n1 ZINC000826240264 609563835 /nfs/dbraw/zinc/56/38/35/609563835.db2.gz KROSPGSUAJDSBV-UHFFFAOYSA-N -1 3 377.796 0.272 20 0 GCADHM O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)CCN12 ZINC000826480378 609566132 /nfs/dbraw/zinc/56/61/32/609566132.db2.gz ZLVWTPLZYRDOBX-SNVBAGLBSA-N -1 3 382.833 0.515 20 0 GCADHM O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)CCN12 ZINC000826480378 609566135 /nfs/dbraw/zinc/56/61/35/609566135.db2.gz ZLVWTPLZYRDOBX-SNVBAGLBSA-N -1 3 382.833 0.515 20 0 GCADHM NC(=O)c1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000826393447 609575298 /nfs/dbraw/zinc/57/52/98/609575298.db2.gz SGYIYMUCZFSMDO-CYBMUJFWSA-N -1 3 379.384 0.363 20 0 GCADHM NC(=O)c1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1 ZINC000826393447 609575301 /nfs/dbraw/zinc/57/53/01/609575301.db2.gz SGYIYMUCZFSMDO-CYBMUJFWSA-N -1 3 379.384 0.363 20 0 GCADHM O=C1[C@H](Nc2ccc3nnnn3n2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477553 609577928 /nfs/dbraw/zinc/57/79/28/609577928.db2.gz GKSKMRNIRYVODB-GFCCVEGCSA-N -1 3 377.372 0.307 20 0 GCADHM O=C1[C@H](Nc2ccc3nnnn3n2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477553 609577930 /nfs/dbraw/zinc/57/79/30/609577930.db2.gz GKSKMRNIRYVODB-GFCCVEGCSA-N -1 3 377.372 0.307 20 0 GCADHM Cc1cc(C(=O)N(C)[C@H]2CCN(C)C2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826256931 609584911 /nfs/dbraw/zinc/58/49/11/609584911.db2.gz HBJNIRKWKNCMTA-HNNXBMFYSA-N -1 3 380.412 0.664 20 0 GCADHM Cc1cc(C(=O)N(C)[C@H]2CCN(C)C2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826256931 609584914 /nfs/dbraw/zinc/58/49/14/609584914.db2.gz HBJNIRKWKNCMTA-HNNXBMFYSA-N -1 3 380.412 0.664 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CN1C1CC1 ZINC000826479494 609585864 /nfs/dbraw/zinc/58/58/64/609585864.db2.gz ZZMYGOYNUOKYAS-SNVBAGLBSA-N -1 3 394.432 0.436 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CN1C1CC1 ZINC000826479494 609585867 /nfs/dbraw/zinc/58/58/67/609585867.db2.gz ZZMYGOYNUOKYAS-SNVBAGLBSA-N -1 3 394.432 0.436 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CN1C1CC1 ZINC000826478907 609585958 /nfs/dbraw/zinc/58/59/58/609585958.db2.gz LUEBULDEKRFRPA-SECBINFHSA-N -1 3 396.860 0.809 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CN1C1CC1 ZINC000826478907 609585960 /nfs/dbraw/zinc/58/59/60/609585960.db2.gz LUEBULDEKRFRPA-SECBINFHSA-N -1 3 396.860 0.809 20 0 GCADHM Cn1nccc1CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826366352 609591897 /nfs/dbraw/zinc/59/18/97/609591897.db2.gz DLWJEWOPOMGZGH-OAHLLOKOSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1nccc1CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826366352 609591898 /nfs/dbraw/zinc/59/18/98/609591898.db2.gz DLWJEWOPOMGZGH-OAHLLOKOSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1nccc1CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826366351 609592069 /nfs/dbraw/zinc/59/20/69/609592069.db2.gz DLWJEWOPOMGZGH-HNNXBMFYSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1nccc1CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826366351 609592071 /nfs/dbraw/zinc/59/20/71/609592071.db2.gz DLWJEWOPOMGZGH-HNNXBMFYSA-N -1 3 395.427 0.595 20 0 GCADHM CNC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826052138 609598293 /nfs/dbraw/zinc/59/82/93/609598293.db2.gz OOYJMHHCBACQTJ-UHFFFAOYSA-N -1 3 382.428 0.863 20 0 GCADHM CNC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826052138 609598296 /nfs/dbraw/zinc/59/82/96/609598296.db2.gz OOYJMHHCBACQTJ-UHFFFAOYSA-N -1 3 382.428 0.863 20 0 GCADHM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cc(-c4nnn[n-]4)c[nH]3)no2)cn1 ZINC000826356155 609607241 /nfs/dbraw/zinc/60/72/41/609607241.db2.gz CWIVIYWKXRAVNE-LBPRGKRZSA-N -1 3 396.371 0.192 20 0 GCADHM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cc(-c4nn[n-]n4)c[nH]3)no2)cn1 ZINC000826356155 609607243 /nfs/dbraw/zinc/60/72/43/609607243.db2.gz CWIVIYWKXRAVNE-LBPRGKRZSA-N -1 3 396.371 0.192 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(C)C ZINC000823989219 609609737 /nfs/dbraw/zinc/60/97/37/609609737.db2.gz QHVZOFCRHGDOHN-CVEARBPZSA-N -1 3 399.455 0.639 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(C)C ZINC000823989219 609609739 /nfs/dbraw/zinc/60/97/39/609609739.db2.gz QHVZOFCRHGDOHN-CVEARBPZSA-N -1 3 399.455 0.639 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NC[C@H]1CCCCS1(=O)=O ZINC000826486851 609610497 /nfs/dbraw/zinc/61/04/97/609610497.db2.gz UNHZVHCIICQZEF-CYBMUJFWSA-N -1 3 385.471 0.253 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NC[C@H]1CCCCS1(=O)=O ZINC000826486851 609610499 /nfs/dbraw/zinc/61/04/99/609610499.db2.gz UNHZVHCIICQZEF-CYBMUJFWSA-N -1 3 385.471 0.253 20 0 GCADHM Cn1cc(CCC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826360783 609611025 /nfs/dbraw/zinc/61/10/25/609611025.db2.gz XZMGJNPVOABVLZ-MRXNPFEDSA-N -1 3 394.439 0.845 20 0 GCADHM Cn1cc(CCC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826360783 609611027 /nfs/dbraw/zinc/61/10/27/609611027.db2.gz XZMGJNPVOABVLZ-MRXNPFEDSA-N -1 3 394.439 0.845 20 0 GCADHM O=C(CCN1CCOC1=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826407241 609612586 /nfs/dbraw/zinc/61/25/86/609612586.db2.gz GOYBXFXUKAOWKY-AWEZNQCLSA-N -1 3 399.411 0.321 20 0 GCADHM O=C(CCN1CCOC1=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826407241 609612587 /nfs/dbraw/zinc/61/25/87/609612587.db2.gz GOYBXFXUKAOWKY-AWEZNQCLSA-N -1 3 399.411 0.321 20 0 GCADHM O=C(Cn1ccccc1=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826424568 609612673 /nfs/dbraw/zinc/61/26/73/609612673.db2.gz RXFZIHKXFRTRAP-HNNXBMFYSA-N -1 3 393.407 0.340 20 0 GCADHM O=C(Cn1ccccc1=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826424568 609612674 /nfs/dbraw/zinc/61/26/74/609612674.db2.gz RXFZIHKXFRTRAP-HNNXBMFYSA-N -1 3 393.407 0.340 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470606 609619718 /nfs/dbraw/zinc/61/97/18/609619718.db2.gz JYUPNCKLLKPRLU-SECBINFHSA-N -1 3 380.368 0.177 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470606 609619719 /nfs/dbraw/zinc/61/97/19/609619719.db2.gz JYUPNCKLLKPRLU-SECBINFHSA-N -1 3 380.368 0.177 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[C@@H]1CCCOC1 ZINC000824490916 609620330 /nfs/dbraw/zinc/62/03/30/609620330.db2.gz RBNIWFBXQUKLOM-DZGCQCFKSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[C@@H]1CCCOC1 ZINC000824490916 609620331 /nfs/dbraw/zinc/62/03/31/609620331.db2.gz RBNIWFBXQUKLOM-DZGCQCFKSA-N -1 3 386.460 0.908 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1C(=S)N=NC1C ZINC000826277111 609621716 /nfs/dbraw/zinc/62/17/16/609621716.db2.gz JRYJBHSQVVXSIC-UHFFFAOYSA-N -1 3 387.429 0.119 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1C(=S)N=NC1C ZINC000826277111 609621717 /nfs/dbraw/zinc/62/17/17/609621717.db2.gz JRYJBHSQVVXSIC-UHFFFAOYSA-N -1 3 387.429 0.119 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)c2sccc2-c2nnn[n-]2)[C@H](C(=O)OC)C1 ZINC000826133782 609624219 /nfs/dbraw/zinc/62/42/19/609624219.db2.gz PNWMAHLANPPTDX-WPRPVWTQSA-N -1 3 379.398 0.495 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)c2sccc2-c2nn[n-]n2)[C@H](C(=O)OC)C1 ZINC000826133782 609624221 /nfs/dbraw/zinc/62/42/21/609624221.db2.gz PNWMAHLANPPTDX-WPRPVWTQSA-N -1 3 379.398 0.495 20 0 GCADHM Cc1cc(C(=O)OCCN2CCOC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261805 609627611 /nfs/dbraw/zinc/62/76/11/609627611.db2.gz SLFMGHWPHJPJMJ-UHFFFAOYSA-N -1 3 383.368 0.970 20 0 GCADHM Cc1cc(C(=O)OCCN2CCOC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261805 609627613 /nfs/dbraw/zinc/62/76/13/609627613.db2.gz SLFMGHWPHJPJMJ-UHFFFAOYSA-N -1 3 383.368 0.970 20 0 GCADHM CCOCCCNC(=O)[C@@H](C)OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825594755 609629123 /nfs/dbraw/zinc/62/91/23/609629123.db2.gz QBCOBZNSBXTIAH-RISCZKNCSA-N -1 3 377.401 0.375 20 0 GCADHM CCOCCCNC(=O)[C@@H](C)OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825594755 609629124 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384.377 0.713 20 0 GCADHM O=C(OCc1cc(=O)n2ccsc2n1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464873 609630783 /nfs/dbraw/zinc/63/07/83/609630783.db2.gz PZYHWEGAKDGADQ-CYBMUJFWSA-N -1 3 384.377 0.713 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824305021 609633131 /nfs/dbraw/zinc/63/31/31/609633131.db2.gz JLBYYFDISYDABO-BXKDBHETSA-N -1 3 376.373 0.066 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824305021 609633132 /nfs/dbraw/zinc/63/31/32/609633132.db2.gz JLBYYFDISYDABO-BXKDBHETSA-N -1 3 376.373 0.066 20 0 GCADHM O=C(OCc1nnnn1-c1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826467576 609635618 /nfs/dbraw/zinc/63/56/18/609635618.db2.gz CFLKAAWQOMMYAL-HNNXBMFYSA-N -1 3 378.352 0.619 20 0 GCADHM O=C(OCc1nnnn1-c1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826467576 609635619 /nfs/dbraw/zinc/63/56/19/609635619.db2.gz CFLKAAWQOMMYAL-HNNXBMFYSA-N -1 3 378.352 0.619 20 0 GCADHM 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ZINC000451160376 1196976591 /nfs/dbraw/zinc/97/65/91/1196976591.db2.gz FFPVYYILOOUKOD-AWEZNQCLSA-N -1 3 388.461 0.973 20 0 GCADHM CNC(=O)N1CCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000530345159 1196980194 /nfs/dbraw/zinc/98/01/94/1196980194.db2.gz XHJKQKWSQLKLGH-UHFFFAOYSA-N -1 3 384.440 0.557 20 0 GCADHM Cc1ncc(CNS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)c(=O)[n-]1 ZINC000451388746 1196990759 /nfs/dbraw/zinc/99/07/59/1196990759.db2.gz MGWKQWLWNSLQPC-UHFFFAOYSA-N -1 3 392.437 0.627 20 0 GCADHM CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)NCCc1c(C)[n-][nH]c1=O ZINC000530915677 1197028425 /nfs/dbraw/zinc/02/84/25/1197028425.db2.gz LBUCBENUMDMMLI-RHSMWYFYSA-N -1 3 387.415 0.982 20 0 GCADHM COc1cc(OC)cc(N2C[C@H](C(=O)NCCc3c(C)[n-][nH]c3=O)CC2=O)c1 ZINC000530979948 1197034475 /nfs/dbraw/zinc/03/44/75/1197034475.db2.gz IDCYZAPNJDLRNG-MLGOLLRUSA-N -1 3 388.424 0.685 20 0 GCADHM COc1cc(OC)cc(N2C[C@@H](C(=O)NCCc3c(C)[n-][nH]c3=O)CC2=O)c1 ZINC000530979929 1197034638 /nfs/dbraw/zinc/03/46/38/1197034638.db2.gz IDCYZAPNJDLRNG-BLLLJJGKSA-N -1 3 388.424 0.685 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C ZINC000531055617 1197042912 /nfs/dbraw/zinc/04/29/12/1197042912.db2.gz NJIXNEVYOSIFFZ-CQSZACIVSA-N -1 3 389.456 0.232 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCCc2c(C)[n-][nH]c2=O)CCCC1 ZINC000531153909 1197048430 /nfs/dbraw/zinc/04/84/30/1197048430.db2.gz ANXCEDPMLBGSJP-AWEZNQCLSA-N -1 3 388.472 0.708 20 0 GCADHM COc1ccc(NS(C)(=O)=O)cc1NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000452944350 1197089499 /nfs/dbraw/zinc/08/94/99/1197089499.db2.gz GEZHFQDCJGLANO-UHFFFAOYSA-N -1 3 381.414 0.881 20 0 GCADHM CNS(=O)(=O)c1cccc(-c2noc(-c3cc(=O)[n-]c(N(C)C)n3)n2)c1 ZINC000350041993 1197266832 /nfs/dbraw/zinc/26/68/32/1197266832.db2.gz JBCCPQBLVGGUKO-UHFFFAOYSA-N -1 3 376.398 0.873 20 0 GCADHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H](C)[C@H](O)C(F)(F)F)c1 ZINC001670827584 1197299092 /nfs/dbraw/zinc/29/90/92/1197299092.db2.gz CALBFZVSEKKSIN-HQJQHLMTSA-N -1 3 399.343 0.850 20 0 GCADHM C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823668 1197302797 /nfs/dbraw/zinc/30/27/97/1197302797.db2.gz RLXYFVRVQGJMRA-VXGBXAGGSA-N -1 3 388.428 0.261 20 0 GCADHM C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCC2)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823666 1197302840 /nfs/dbraw/zinc/30/28/40/1197302840.db2.gz RLXYFVRVQGJMRA-NWDGAFQWSA-N -1 3 388.428 0.261 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000110786069 1197331917 /nfs/dbraw/zinc/33/19/17/1197331917.db2.gz GAFODAMKJDVUOF-HNNXBMFYSA-N -1 3 377.408 0.927 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000110786069 1197331921 /nfs/dbraw/zinc/33/19/21/1197331921.db2.gz GAFODAMKJDVUOF-HNNXBMFYSA-N -1 3 377.408 0.927 20 0 GCADHM CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCCCc2c[n-][nH]c2=O)n1 ZINC001670830579 1197341437 /nfs/dbraw/zinc/34/14/37/1197341437.db2.gz DHDYVZIIZDXRSB-LBPRGKRZSA-N -1 3 384.462 0.260 20 0 GCADHM C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827437 1197353626 /nfs/dbraw/zinc/35/36/26/1197353626.db2.gz RPZGKMCIBMFDHL-VHSXEESVSA-N -1 3 393.425 0.223 20 0 GCADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)N[C@@H]3COC[C@@H]3OC)c2)[n-]1 ZINC000459280481 1197359055 /nfs/dbraw/zinc/35/90/55/1197359055.db2.gz CMZQGAGZNOEORD-KGLIPLIRSA-N -1 3 389.412 0.861 20 0 GCADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)N[C@@H]3COC[C@@H]3OC)c2)n[n-]1 ZINC000459280481 1197359057 /nfs/dbraw/zinc/35/90/57/1197359057.db2.gz CMZQGAGZNOEORD-KGLIPLIRSA-N -1 3 389.412 0.861 20 0 GCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000614827869 1197362187 /nfs/dbraw/zinc/36/21/87/1197362187.db2.gz TTXHQVJUBKZVHQ-ZJUUUORDSA-N -1 3 393.425 0.223 20 0 GCADHM C[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827866 1197362274 /nfs/dbraw/zinc/36/22/74/1197362274.db2.gz TTXHQVJUBKZVHQ-NXEZZACHSA-N -1 3 393.425 0.223 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@]23C[C@H]2COC3)CCN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000988453021 1197388369 /nfs/dbraw/zinc/38/83/69/1197388369.db2.gz UKWLHOIDFKDECJ-YDWOINFDSA-N -1 3 383.404 0.326 20 0 GCADHM Cn1c(=O)c2cc(C(=O)[N-]c3nnc(C(F)(F)F)s3)cnc2n(C)c1=O ZINC000031565544 1197396857 /nfs/dbraw/zinc/39/68/57/1197396857.db2.gz UUFWWUQKBRXJLH-UHFFFAOYSA-N -1 3 386.315 0.755 20 0 GCADHM O=C(CNC(=O)c1ccc([O-])cc1)NC[C@@H](O)CS(=O)(=O)c1cccs1 ZINC000533110951 1197433238 /nfs/dbraw/zinc/43/32/38/1197433238.db2.gz IIDMOKDLBKMISE-CYBMUJFWSA-N -1 3 398.462 0.135 20 0 GCADHM CO[C@@H]1COCC[C@@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000455309835 1197454920 /nfs/dbraw/zinc/45/49/20/1197454920.db2.gz LQYQCNKROGONSC-RHSMWYFYSA-N -1 3 377.441 0.911 20 0 GCADHM CO[C@@H]1COCC[C@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000455309837 1197454945 /nfs/dbraw/zinc/45/49/45/1197454945.db2.gz LQYQCNKROGONSC-WMLDXEAASA-N -1 3 377.441 0.911 20 0 GCADHM COC[C@@H](CCO)NC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000533705111 1197470052 /nfs/dbraw/zinc/47/00/52/1197470052.db2.gz KEMGXTNOCSJRDP-CYBMUJFWSA-N -1 3 389.474 0.396 20 0 GCADHM Cc1cc(C)n(-c2ccc(-c3noc([C@H](CCC(=O)[O-])NC(=O)CN)n3)cn2)n1 ZINC001212019494 1197474598 /nfs/dbraw/zinc/47/45/98/1197474598.db2.gz QEHOSXXMAYVGKU-ZDUSSCGKSA-N -1 3 399.411 0.915 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC001212028766 1197475003 /nfs/dbraw/zinc/47/50/03/1197475003.db2.gz POCPZWPTVXILFW-CXAGYDPISA-N -1 3 379.438 0.949 20 0 GCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000614921624 1197487672 /nfs/dbraw/zinc/48/76/72/1197487672.db2.gz SNJFJVRWPKEZDK-AWEZNQCLSA-N -1 3 386.408 0.583 20 0 GCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000614921627 1197487844 /nfs/dbraw/zinc/48/78/44/1197487844.db2.gz SNJFJVRWPKEZDK-CQSZACIVSA-N -1 3 386.408 0.583 20 0 GCADHM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NCCCc1cc(=O)[nH][n-]1)C2=O ZINC000614924077 1197488476 /nfs/dbraw/zinc/48/84/76/1197488476.db2.gz YTOWQZMXFNSWIM-CWTRNNRKSA-N -1 3 391.472 0.896 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCCCc1cc(=O)[nH][n-]1 ZINC000614923333 1197488586 /nfs/dbraw/zinc/48/85/86/1197488586.db2.gz SGMSITOUORARIK-UHFFFAOYSA-N -1 3 388.449 0.890 20 0 GCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000614931024 1197489194 /nfs/dbraw/zinc/48/91/94/1197489194.db2.gz PAFZWXBJOILMIJ-OAHLLOKOSA-N -1 3 378.454 0.612 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N1C[C@@H]2CCN(C(=O)c3cc(=O)[n-]cn3)[C@@H]2C1 ZINC001272100257 1197497792 /nfs/dbraw/zinc/49/77/92/1197497792.db2.gz JFBHBRHABXCQQA-GXFFZTMASA-N -1 3 376.804 0.405 20 0 GCADHM COCCCN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])C1CCN(C)CC1 ZINC000615045835 1197500966 /nfs/dbraw/zinc/50/09/66/1197500966.db2.gz GNMRYNNBCWBLEI-UHFFFAOYSA-N -1 3 385.486 0.613 20 0 GCADHM O=C(Nc1cn[nH]c1)[C@@H]1CCSC12CN(C(=O)c1cc(=O)[n-]c(=O)[nH]1)C2 ZINC001272167180 1197547052 /nfs/dbraw/zinc/54/70/52/1197547052.db2.gz YQCINJYANACDHH-VIFPVBQESA-N -1 3 376.398 0.197 20 0 GCADHM O=C(c1cc(=O)[n-]c(=O)[nH]1)N1CC2(C1)SCC[C@@H]2C(=O)N1CCCCO1 ZINC001272167332 1197547516 /nfs/dbraw/zinc/54/75/16/1197547516.db2.gz FWLBRNJNFDDEIF-SNVBAGLBSA-N -1 3 380.426 0.390 20 0 GCADHM C[C@H](C(=O)NCCC(=O)[N-]S(C)(=O)=O)N1CCC(Cc2ccccc2)CC1 ZINC000282065426 1197547998 /nfs/dbraw/zinc/54/79/98/1197547998.db2.gz MQRDAIXEHKLPKV-OAHLLOKOSA-N -1 3 395.525 0.912 20 0 GCADHM C[C@@]1(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCC(=O)N1 ZINC000455620850 1197556438 /nfs/dbraw/zinc/55/64/38/1197556438.db2.gz IUAAXASWJWHEFE-HNNXBMFYSA-N -1 3 390.412 0.211 20 0 GCADHM C[NH+](C)CCN1CCC2(CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C2)C1 ZINC001272191508 1197575802 /nfs/dbraw/zinc/57/58/02/1197575802.db2.gz AVBAJCXQKWIUHU-UHFFFAOYSA-N -1 3 383.470 0.348 20 0 GCADHM CN(C)CC[N@@H+]1CCC2(CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C2)C1 ZINC001272191508 1197575805 /nfs/dbraw/zinc/57/58/05/1197575805.db2.gz AVBAJCXQKWIUHU-UHFFFAOYSA-N -1 3 383.470 0.348 20 0 GCADHM CN(C)CC[N@H+]1CCC2(CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C2)C1 ZINC001272191508 1197575807 /nfs/dbraw/zinc/57/58/07/1197575807.db2.gz AVBAJCXQKWIUHU-UHFFFAOYSA-N -1 3 383.470 0.348 20 0 GCADHM COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000459412290 1197579906 /nfs/dbraw/zinc/57/99/06/1197579906.db2.gz FULSHAROGPCMQN-HNNXBMFYSA-N -1 3 384.502 0.932 20 0 GCADHM Cc1nc[n-]c(=O)c1CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccncn1)C2 ZINC000999598025 1198953958 /nfs/dbraw/zinc/95/39/58/1198953958.db2.gz TZFHTTPGDXJMDY-KCXAZCMYSA-N -1 3 382.424 0.775 20 0 GCADHM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NCc1ccc([O-])c(F)c1 ZINC000265716848 1198978525 /nfs/dbraw/zinc/97/85/25/1198978525.db2.gz FHRIWYDFFOUABX-ZDUSSCGKSA-N -1 3 389.449 0.819 20 0 GCADHM O=C(CSc1n[n-]c(=S)s1)N1C[C@H]2C[C@@]2(C(=O)NCc2cnc[nH]2)C1 ZINC001272864730 1199037955 /nfs/dbraw/zinc/03/79/55/1199037955.db2.gz JSYFSUGHUOMIJP-XLKFXECMSA-N -1 3 396.523 0.807 20 0 GCADHM CCOC[C@@H]1C(=O)N(CC[N-]S(=O)(=O)c2ccc(F)cc2F)C(=O)N1C ZINC000672085866 1199077490 /nfs/dbraw/zinc/07/74/90/1199077490.db2.gz OQXFESJKDLTEKN-GFCCVEGCSA-N -1 3 391.396 0.542 20 0 GCADHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109876059 1199112206 /nfs/dbraw/zinc/11/22/06/1199112206.db2.gz UCHQCDOHEOWAOX-UHFFFAOYSA-N -1 3 377.364 0.186 20 0 GCADHM O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000109876059 1199112210 /nfs/dbraw/zinc/11/22/10/1199112210.db2.gz UCHQCDOHEOWAOX-UHFFFAOYSA-N -1 3 377.364 0.186 20 0 GCADHM O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000499498247 1199174411 /nfs/dbraw/zinc/17/44/11/1199174411.db2.gz TZHGWKBQXMLXNQ-NTCNTBNZSA-N -1 3 390.346 0.914 20 0 GCADHM Cc1nc(C)c(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccnnc2)c(=O)[n-]1 ZINC001002773391 1199263893 /nfs/dbraw/zinc/26/38/93/1199263893.db2.gz YPXRIVNBEDKRTJ-BMFZPTHFSA-N -1 3 382.424 0.693 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001002810179 1199273511 /nfs/dbraw/zinc/27/35/11/1199273511.db2.gz UGDHQTWUFIRWQR-KYOSRNDESA-N -1 3 382.424 0.969 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c(C)o1 ZINC000282325249 1199317804 /nfs/dbraw/zinc/31/78/04/1199317804.db2.gz KALYSDSTYVPJAG-AWEZNQCLSA-N -1 3 385.486 0.681 20 0 GCADHM CCn1nncc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001002951123 1199354569 /nfs/dbraw/zinc/35/45/69/1199354569.db2.gz IEZQPKVOBGVGDK-HONMWMINSA-N -1 3 380.412 0.745 20 0 GCADHM Cc1c(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccc4n[n-]nc42)C3)nnn1C ZINC001002952761 1199356670 /nfs/dbraw/zinc/35/66/70/1199356670.db2.gz SAPWTDSXUAFWQL-HONMWMINSA-N -1 3 380.412 0.570 20 0 GCADHM Cn1oc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cccc4n[n-]nc42)C3)cc1=O ZINC001002952908 1199357137 /nfs/dbraw/zinc/35/71/37/1199357137.db2.gz SQVJOBQMOGRZOB-WQAKAFBOSA-N -1 3 382.380 0.425 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2Cc3c[nH]nc3C2)c(OC)c1 ZINC001212489975 1199381576 /nfs/dbraw/zinc/38/15/76/1199381576.db2.gz 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GCADHM CCOC(=O)C1(F)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185584021 1205924960 /nfs/dbraw/zinc/92/49/60/1205924960.db2.gz QTVDYGSTQBOJFK-UHFFFAOYSA-N -1 3 383.405 0.923 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001185584908 1205925059 /nfs/dbraw/zinc/92/50/59/1205925059.db2.gz XGOHLSIEGQRBOX-AWEZNQCLSA-N -1 3 378.458 0.352 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC001185584908 1205925060 /nfs/dbraw/zinc/92/50/60/1205925060.db2.gz XGOHLSIEGQRBOX-AWEZNQCLSA-N -1 3 378.458 0.352 20 0 GCADHM O=C(N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1)C1CC1 ZINC001185591877 1205925233 /nfs/dbraw/zinc/92/52/33/1205925233.db2.gz GAOFOVUREYHXEX-CYBMUJFWSA-N -1 3 376.442 0.546 20 0 GCADHM O=C(N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1)C1CC1 ZINC001185591877 1205925234 /nfs/dbraw/zinc/92/52/34/1205925234.db2.gz GAOFOVUREYHXEX-CYBMUJFWSA-N -1 3 376.442 0.546 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001185598224 1205925266 /nfs/dbraw/zinc/92/52/66/1205925266.db2.gz YLLAPQUADPKZPV-LSDHHAIUSA-N -1 3 396.448 0.300 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001185598224 1205925268 /nfs/dbraw/zinc/92/52/68/1205925268.db2.gz YLLAPQUADPKZPV-LSDHHAIUSA-N -1 3 396.448 0.300 20 0 GCADHM Cc1ccnc(O[C@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001185593391 1205925323 /nfs/dbraw/zinc/92/53/23/1205925323.db2.gz SVSYMTVUBHFBTF-ZDUSSCGKSA-N -1 3 387.425 0.807 20 0 GCADHM Cc1ccnc(O[C@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001185593391 1205925326 /nfs/dbraw/zinc/92/53/26/1205925326.db2.gz SVSYMTVUBHFBTF-ZDUSSCGKSA-N -1 3 387.425 0.807 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001185591546 1205925328 /nfs/dbraw/zinc/92/53/28/1205925328.db2.gz COWIOYMKNVVMRY-GFCCVEGCSA-N -1 3 391.388 0.638 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001185591546 1205925329 /nfs/dbraw/zinc/92/53/29/1205925329.db2.gz COWIOYMKNVVMRY-GFCCVEGCSA-N -1 3 391.388 0.638 20 0 GCADHM CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1 ZINC001185591477 1205925392 /nfs/dbraw/zinc/92/53/92/1205925392.db2.gz BCCMKPMFHMHTDD-GFCCVEGCSA-N -1 3 383.455 0.536 20 0 GCADHM CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1 ZINC001185591477 1205925393 /nfs/dbraw/zinc/92/53/93/1205925393.db2.gz BCCMKPMFHMHTDD-GFCCVEGCSA-N -1 3 383.455 0.536 20 0 GCADHM CN(C)C(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185628298 1205926018 /nfs/dbraw/zinc/92/60/18/1205926018.db2.gz KWVOJMKNZSLHPM-GFCCVEGCSA-N -1 3 379.446 0.291 20 0 GCADHM CN(C)C(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185628298 1205926020 /nfs/dbraw/zinc/92/60/20/1205926020.db2.gz KWVOJMKNZSLHPM-GFCCVEGCSA-N -1 3 379.446 0.291 20 0 GCADHM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185582654 1205926069 /nfs/dbraw/zinc/92/60/69/1205926069.db2.gz JOSYBFMVVQAWOQ-UHFFFAOYSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185582654 1205926071 /nfs/dbraw/zinc/92/60/71/1205926071.db2.gz JOSYBFMVVQAWOQ-UHFFFAOYSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)NC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185631839 1205926172 /nfs/dbraw/zinc/92/61/72/1205926172.db2.gz PKEUOKHMTMTQON-UHFFFAOYSA-N -1 3 393.473 0.727 20 0 GCADHM CC(C)NC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185631839 1205926173 /nfs/dbraw/zinc/92/61/73/1205926173.db2.gz PKEUOKHMTMTQON-UHFFFAOYSA-N -1 3 393.473 0.727 20 0 GCADHM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC001185631470 1205926179 /nfs/dbraw/zinc/92/61/79/1205926179.db2.gz HVHMWUQOGBNADG-CQSZACIVSA-N -1 3 388.409 0.844 20 0 GCADHM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC001185631470 1205926180 /nfs/dbraw/zinc/92/61/80/1205926180.db2.gz HVHMWUQOGBNADG-CQSZACIVSA-N -1 3 388.409 0.844 20 0 GCADHM O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185637846 1205926388 /nfs/dbraw/zinc/92/63/88/1205926388.db2.gz NOGRFRWLYOOQMI-ZDUSSCGKSA-N -1 3 386.441 0.604 20 0 GCADHM O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185637846 1205926389 /nfs/dbraw/zinc/92/63/89/1205926389.db2.gz NOGRFRWLYOOQMI-ZDUSSCGKSA-N -1 3 386.441 0.604 20 0 GCADHM CCOC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185620618 1205926820 /nfs/dbraw/zinc/92/68/20/1205926820.db2.gz KCHRMLAKESESDA-LBPRGKRZSA-N -1 3 385.471 0.830 20 0 GCADHM CCOC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185620618 1205926821 /nfs/dbraw/zinc/92/68/21/1205926821.db2.gz KCHRMLAKESESDA-LBPRGKRZSA-N -1 3 385.471 0.830 20 0 GCADHM CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC ZINC001185621009 1205926895 /nfs/dbraw/zinc/92/68/95/1205926895.db2.gz QKVSYOQPFSZLNQ-LBPRGKRZSA-N -1 3 397.413 0.030 20 0 GCADHM CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC ZINC001185621009 1205926897 /nfs/dbraw/zinc/92/68/97/1205926897.db2.gz QKVSYOQPFSZLNQ-LBPRGKRZSA-N -1 3 397.413 0.030 20 0 GCADHM CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185622068 1205927019 /nfs/dbraw/zinc/92/70/19/1205927019.db2.gz HXWVOBKVACITPE-UHFFFAOYSA-N -1 3 386.437 0.804 20 0 GCADHM CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185622068 1205927020 /nfs/dbraw/zinc/92/70/20/1205927020.db2.gz HXWVOBKVACITPE-UHFFFAOYSA-N -1 3 386.437 0.804 20 0 GCADHM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccnc1 ZINC001185623368 1205927049 /nfs/dbraw/zinc/92/70/49/1205927049.db2.gz GFBORCIFXSRXFG-AWEZNQCLSA-N -1 3 388.409 0.844 20 0 GCADHM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC001185623368 1205927050 /nfs/dbraw/zinc/92/70/50/1205927050.db2.gz GFBORCIFXSRXFG-AWEZNQCLSA-N -1 3 388.409 0.844 20 0 GCADHM COc1ccc(C[C@@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001185623142 1205927101 /nfs/dbraw/zinc/92/71/01/1205927101.db2.gz BBYPKOBMJWCGPN-AWEZNQCLSA-N -1 3 389.437 0.757 20 0 GCADHM COc1ccc(C[C@@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001185623142 1205927102 /nfs/dbraw/zinc/92/71/02/1205927102.db2.gz BBYPKOBMJWCGPN-AWEZNQCLSA-N -1 3 389.437 0.757 20 0 GCADHM CN(CC(=O)N(C1CCCC1)C1CCN(C)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185661756 1205927494 /nfs/dbraw/zinc/92/74/94/1205927494.db2.gz NJBQCSDEHOPXQQ-UHFFFAOYSA-N -1 3 375.410 0.401 20 0 GCADHM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NCCCc2c[n-][nH]c2=O)CC1 ZINC001185768477 1205928725 /nfs/dbraw/zinc/92/87/25/1205928725.db2.gz FYNGHZZJFUSQKT-LBPRGKRZSA-N -1 3 388.490 0.817 20 0 GCADHM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N=c1ncnc2[nH][n-]cc1-2 ZINC001185828323 1205929528 /nfs/dbraw/zinc/92/95/28/1205929528.db2.gz SRIROQIWJLJUOL-VXGBXAGGSA-N -1 3 390.400 0.464 20 0 GCADHM CCOC(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncc([O-])cc1Br ZINC001185862467 1205930976 /nfs/dbraw/zinc/93/09/76/1205930976.db2.gz JEJMYRYYADCODE-QMMMGPOBSA-N -1 3 375.179 0.478 20 0 GCADHM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCc1c(C)[n-][nH]c1=O ZINC001185850980 1205931028 /nfs/dbraw/zinc/93/10/28/1205931028.db2.gz ZJOGUGRMIOCTIH-UONOGXRCSA-N -1 3 396.444 0.881 20 0 GCADHM CSc1[n-]nc(NC(=O)Cn2cnc3c2nc(N)nc3Cl)c1C(N)=O ZINC001185895400 1205931690 /nfs/dbraw/zinc/93/16/90/1205931690.db2.gz KVGROBVWPHGOTH-UHFFFAOYSA-N -1 3 381.809 0.245 20 0 GCADHM Nc1nc2c(ncn2CC(=O)NCc2cccc(-c3nnn[n-]3)c2)c(Cl)n1 ZINC001185905862 1205931878 /nfs/dbraw/zinc/93/18/78/1205931878.db2.gz UTAFUONYCAXSNT-UHFFFAOYSA-N -1 3 384.791 0.558 20 0 GCADHM Nc1nc2c(ncn2CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(Cl)n1 ZINC001185905862 1205931880 /nfs/dbraw/zinc/93/18/80/1205931880.db2.gz UTAFUONYCAXSNT-UHFFFAOYSA-N -1 3 384.791 0.558 20 0 GCADHM Cn1ncc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(N)=O)c1Br ZINC001185936017 1205932465 /nfs/dbraw/zinc/93/24/65/1205932465.db2.gz NLBBVMOCILUKIM-JTQLQIEISA-N -1 3 387.259 0.558 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)NCCc3ccnn3C)CC2)n[n-]1 ZINC000774964783 1205933184 /nfs/dbraw/zinc/93/31/84/1205933184.db2.gz QCXTVSGAUMQIEO-UHFFFAOYSA-N -1 3 375.433 0.847 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)NCCc3ccnn3C)CC2)[n-]1 ZINC000774964783 1205933185 /nfs/dbraw/zinc/93/31/85/1205933185.db2.gz QCXTVSGAUMQIEO-UHFFFAOYSA-N -1 3 375.433 0.847 20 0 GCADHM CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)Nc1cc(=O)[n-]c(C)n1)C(C)C ZINC001186611373 1205943055 /nfs/dbraw/zinc/94/30/55/1205943055.db2.gz CZENJUKCMSQROS-FZMZJTMJSA-N -1 3 383.474 0.438 20 0 GCADHM CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)NCCc1c(C)[n-][nH]c1=O)C(C)C ZINC001186619563 1205943528 /nfs/dbraw/zinc/94/35/28/1205943528.db2.gz CTOSYKFBOREUOT-KBPBESRZSA-N -1 3 399.517 0.091 20 0 GCADHM COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)c1ccccc1-c1nnn[n-]1 ZINC001186999867 1205954339 /nfs/dbraw/zinc/95/43/39/1205954339.db2.gz RAQNXJRIGIUUTJ-GXFFZTMASA-N -1 3 377.382 0.096 20 0 GCADHM COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)c1ccccc1-c1nn[n-]n1 ZINC001186999867 1205954340 /nfs/dbraw/zinc/95/43/40/1205954340.db2.gz RAQNXJRIGIUUTJ-GXFFZTMASA-N -1 3 377.382 0.096 20 0 GCADHM CS(=O)(=O)CCNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC001273539070 1205961552 /nfs/dbraw/zinc/96/15/52/1205961552.db2.gz TUIKBQYYABAMCV-XFWSIPNHSA-N -1 3 388.383 0.579 20 0 GCADHM COc1ccc(OC)c([C@@H](O)CNC(=O)C[N-]S(=O)(=O)c2cnoc2C)c1 ZINC001187401199 1205961901 /nfs/dbraw/zinc/96/19/01/1205961901.db2.gz PKAVDBKJVSCOOY-ZDUSSCGKSA-N -1 3 399.425 0.128 20 0 GCADHM Cc1oncc1S(=O)(=O)[N-][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO ZINC001187412013 1205962146 /nfs/dbraw/zinc/96/21/46/1205962146.db2.gz QTUQZMZAAKFRPQ-VXGBXAGGSA-N -1 3 375.447 0.879 20 0 GCADHM COC[C@H]([N-]S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(C)o1 ZINC001187668286 1205966863 /nfs/dbraw/zinc/96/68/63/1205966863.db2.gz SRDKBVUONOYMKP-OLZOCXBDSA-N -1 3 380.488 0.476 20 0 GCADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]C1CCN([C@@H]2CCOC2=O)CC1 ZINC001188254540 1205977977 /nfs/dbraw/zinc/97/79/77/1205977977.db2.gz MHRAUCSMZIRFKT-CYBMUJFWSA-N -1 3 379.442 0.096 20 0 GCADHM COC(=O)CCS(=O)(=O)[N-]c1nc(C(=O)OC)ccc1Br ZINC001188355601 1205981859 /nfs/dbraw/zinc/98/18/59/1205981859.db2.gz QFNWBOJEIUJJLD-UHFFFAOYSA-N -1 3 381.204 0.936 20 0 GCADHM Cc1cccc([O-])c1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001188659370 1205988694 /nfs/dbraw/zinc/98/86/94/1205988694.db2.gz RKBVPVWZYIMJTD-KBPBESRZSA-N -1 3 385.424 0.241 20 0 GCADHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@]12CC[C@@](NC(=O)CO)(C1)CCC2 ZINC001273573125 1205994121 /nfs/dbraw/zinc/99/41/21/1205994121.db2.gz GGZDMBRFRKGGJD-CABCVRRESA-N -1 3 390.893 0.614 20 0 GCADHM C[C@@H]1C[C@H](CS(=O)(=O)[N-]C2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)CCO1 ZINC001189185663 1205998610 /nfs/dbraw/zinc/99/86/10/1205998610.db2.gz LBLGRDNCRWSIMZ-VXGBXAGGSA-N -1 3 391.490 0.196 20 0 GCADHM COC(=O)c1cc(OC)ccc1S(=O)(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001189185689 1205998775 /nfs/dbraw/zinc/99/87/75/1205998775.db2.gz MBOLJWUQWAWWEN-UHFFFAOYSA-N -1 3 379.394 0.724 20 0 GCADHM CCS(=O)(=O)c1cnc(C[N-]S(=O)(=O)c2cccc(C(C)=O)c2)nc1 ZINC001189255754 1206000468 /nfs/dbraw/zinc/00/04/68/1206000468.db2.gz GAWJDVSVBAKZRW-UHFFFAOYSA-N -1 3 383.451 0.951 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)CCCF)cc2)CC1 ZINC001189911076 1206020444 /nfs/dbraw/zinc/02/04/44/1206020444.db2.gz HKFMUCKBHYOJRQ-UHFFFAOYSA-N -1 3 379.479 0.724 20 0 GCADHM COc1nc(S(=O)(=O)[N-][C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1F ZINC001190107746 1206025195 /nfs/dbraw/zinc/02/51/95/1206025195.db2.gz JCEQQDSLFVWZQM-WDEREUQCSA-N -1 3 391.421 0.488 20 0 GCADHM COc1nc(S(=O)(=O)[N-][C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1F ZINC001190107745 1206025310 /nfs/dbraw/zinc/02/53/10/1206025310.db2.gz JCEQQDSLFVWZQM-QWRGUYRKSA-N -1 3 391.421 0.488 20 0 GCADHM COc1nc(S(=O)(=O)[N-]CC2CCN(S(C)(=O)=O)CC2)ccc1F ZINC001190125920 1206027556 /nfs/dbraw/zinc/02/75/56/1206027556.db2.gz WUTMMGBTLDDLIG-UHFFFAOYSA-N -1 3 381.451 0.179 20 0 GCADHM COc1cc([O-])c(C(=O)N2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)c(OC)c1 ZINC001190121624 1206027650 /nfs/dbraw/zinc/02/76/50/1206027650.db2.gz MTQKPBXMSAIANI-CJNGLKHVSA-N -1 3 386.408 0.929 20 0 GCADHM COc1nc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)N3S(C)(=O)=O)ccc1F ZINC001190131582 1206028105 /nfs/dbraw/zinc/02/81/05/1206028105.db2.gz JJOKWIGFKJSXMJ-FGWVZKOKSA-N -1 3 393.462 0.463 20 0 GCADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1COCCC12OCCO2 ZINC001190592293 1206039795 /nfs/dbraw/zinc/03/97/95/1206039795.db2.gz ABJNUPPDELDZFF-ZDUSSCGKSA-N -1 3 391.829 0.937 20 0 GCADHM C[C@@H](c1ccccc1F)N1CCC[C@@H]([N-]S(=O)(=O)[C@@H]2COC[C@H]2O)C1=O ZINC001190596155 1206039861 /nfs/dbraw/zinc/03/98/61/1206039861.db2.gz XEIGWAPFETXCRS-AEAUEXCSSA-N -1 3 386.445 0.557 20 0 GCADHM COC(=O)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC001190601938 1206040172 /nfs/dbraw/zinc/04/01/72/1206040172.db2.gz HZVIZWSMNZEGOS-QMMMGPOBSA-N -1 3 392.817 0.083 20 0 GCADHM CC(=O)N1CC2(C1)CN(C(=O)c1ccc(=O)[n-]c1Cl)C[C@@H]2C(=O)N(C)C ZINC001190910548 1206050698 /nfs/dbraw/zinc/05/06/98/1206050698.db2.gz UAGKOXZKEGFQPT-GFCCVEGCSA-N -1 3 380.832 0.449 20 0 GCADHM CC(C)N1CCN(C(C)(C)CNS(=O)(=O)[C@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC001465114387 804142023 /nfs/dbraw/zinc/14/20/23/804142023.db2.gz FBGGRAIKXUANFU-GJZGRUSLSA-N -1 3 375.535 0.964 20 0 GCADHM NC(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)nn1-c1ccccc1 ZINC000737755783 945121974 /nfs/dbraw/zinc/12/19/74/945121974.db2.gz QTSQGXRJDVHQKP-UHFFFAOYSA-N -1 3 375.352 0.799 20 0 GCADHM NC(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)nn1-c1ccccc1 ZINC000737755783 945121979 /nfs/dbraw/zinc/12/19/79/945121979.db2.gz QTSQGXRJDVHQKP-UHFFFAOYSA-N -1 3 375.352 0.799 20 0 GCADHM CCN1CCN(Cc2ccccc2CNC(=O)N[C@]2(C(=O)[O-])CCOC2)CC1 ZINC000908799539 939322448 /nfs/dbraw/zinc/32/24/48/939322448.db2.gz VYQWQZNZAZTVPS-HXUWFJFHSA-N -1 3 390.484 0.867 20 0 GCADHM O=C(Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1)C1CCS(=O)(=O)CC1 ZINC000738195178 945253484 /nfs/dbraw/zinc/25/34/84/945253484.db2.gz NTSQKRLUDXUSTJ-UHFFFAOYSA-N -1 3 387.425 0.816 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@H]2C)CC1 ZINC000819796411 945292281 /nfs/dbraw/zinc/29/22/81/945292281.db2.gz HKHUPYKJBCUHSC-RISCZKNCSA-N -1 3 390.879 0.904 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C[C@H]2C)CC1 ZINC000819796411 945292288 /nfs/dbraw/zinc/29/22/88/945292288.db2.gz HKHUPYKJBCUHSC-RISCZKNCSA-N -1 3 390.879 0.904 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000819802457 945293997 /nfs/dbraw/zinc/29/39/97/945293997.db2.gz BYWOROCDQXGMRW-AWEZNQCLSA-N -1 3 392.485 0.489 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000819802457 945294002 /nfs/dbraw/zinc/29/40/02/945294002.db2.gz BYWOROCDQXGMRW-AWEZNQCLSA-N -1 3 392.485 0.489 20 0 GCADHM Cn1cnc(C(=O)NC[C@H]2CCCCN2c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001571257742 945341405 /nfs/dbraw/zinc/34/14/05/945341405.db2.gz IRBZUZPTEDUCJK-LLVKDONJSA-N -1 3 385.407 0.923 20 0 GCADHM Cn1cnc(C(=O)NC[C@H]2CCCCN2c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001571257742 945341416 /nfs/dbraw/zinc/34/14/16/945341416.db2.gz IRBZUZPTEDUCJK-LLVKDONJSA-N -1 3 385.407 0.923 20 0 GCADHM O=C(c1cnns1)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571258146 945347135 /nfs/dbraw/zinc/34/71/35/945347135.db2.gz NJERZULFVAHGSE-UHFFFAOYSA-N -1 3 385.413 0.035 20 0 GCADHM CCO[C@H]1C[C@@H]1C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571257602 945342969 /nfs/dbraw/zinc/34/29/69/945342969.db2.gz HIXUYXAEQIEREQ-FZMZJTMJSA-N -1 3 385.428 0.294 20 0 GCADHM CCO[C@H]1C[C@@H]1C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571257602 945342981 /nfs/dbraw/zinc/34/29/81/945342981.db2.gz HIXUYXAEQIEREQ-FZMZJTMJSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)C1=CCOCC1 ZINC001571257819 945343880 /nfs/dbraw/zinc/34/38/80/945343880.db2.gz JVHLATINBRUSRK-WCQYABFASA-N -1 3 385.428 0.651 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)C1=CCOCC1 ZINC001571257819 945343891 /nfs/dbraw/zinc/34/38/91/945343891.db2.gz JVHLATINBRUSRK-WCQYABFASA-N -1 3 385.428 0.651 20 0 GCADHM O=C(c1cnns1)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571258146 945347148 /nfs/dbraw/zinc/34/71/48/945347148.db2.gz NJERZULFVAHGSE-UHFFFAOYSA-N -1 3 385.413 0.035 20 0 GCADHM CCN(C(=O)C1=COCCO1)[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571258144 945347483 /nfs/dbraw/zinc/34/74/83/945347483.db2.gz NJAPEYZHRIBBER-CYBMUJFWSA-N -1 3 385.428 0.886 20 0 GCADHM CCN(C(=O)C1=COCCO1)[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571258144 945347493 /nfs/dbraw/zinc/34/74/93/945347493.db2.gz NJAPEYZHRIBBER-CYBMUJFWSA-N -1 3 385.428 0.886 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571258092 945347540 /nfs/dbraw/zinc/34/75/40/945347540.db2.gz MPEMEUOGXNNFFW-KRWDZBQOSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571258092 945347548 /nfs/dbraw/zinc/34/75/48/945347548.db2.gz MPEMEUOGXNNFFW-KRWDZBQOSA-N -1 3 385.407 0.842 20 0 GCADHM CCn1cc(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)c(C)n1 ZINC001571258284 945349448 /nfs/dbraw/zinc/34/94/48/945349448.db2.gz OVHOFRKFFAQTNJ-GFCCVEGCSA-N -1 3 385.407 0.934 20 0 GCADHM CCn1cc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)c(C)n1 ZINC001571258284 945349461 /nfs/dbraw/zinc/34/94/61/945349461.db2.gz OVHOFRKFFAQTNJ-GFCCVEGCSA-N -1 3 385.407 0.934 20 0 GCADHM CCc1ncnc(N2CC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1F ZINC001571258193 945351488 /nfs/dbraw/zinc/35/14/88/945351488.db2.gz NOHHQJDYMUXFQF-JTQLQIEISA-N -1 3 385.407 0.943 20 0 GCADHM CCc1ncnc(N2CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1F ZINC001571258193 945351501 /nfs/dbraw/zinc/35/15/01/945351501.db2.gz NOHHQJDYMUXFQF-JTQLQIEISA-N -1 3 385.407 0.943 20 0 GCADHM Cn1cnc(C(=O)NC2(C)CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)c1 ZINC001571258465 945353497 /nfs/dbraw/zinc/35/34/97/945353497.db2.gz RRKODWSKCPLRPP-UHFFFAOYSA-N -1 3 385.407 0.923 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571258471 945352087 /nfs/dbraw/zinc/35/20/87/945352087.db2.gz RYHWEFCRAXNDPF-ZDUSSCGKSA-N -1 3 385.407 0.622 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571258471 945352100 /nfs/dbraw/zinc/35/21/00/945352100.db2.gz RYHWEFCRAXNDPF-ZDUSSCGKSA-N -1 3 385.407 0.622 20 0 GCADHM Cn1cnc(C(=O)NC2(C)CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC001571258465 945353507 /nfs/dbraw/zinc/35/35/07/945353507.db2.gz RRKODWSKCPLRPP-UHFFFAOYSA-N -1 3 385.407 0.923 20 0 GCADHM CN(C(=O)c1cncn1C)C1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571258414 945352989 /nfs/dbraw/zinc/35/29/89/945352989.db2.gz QIQITDNNSJLDBB-UHFFFAOYSA-N -1 3 385.407 0.875 20 0 GCADHM CN(C(=O)c1cncn1C)C1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571258414 945352998 /nfs/dbraw/zinc/35/29/98/945352998.db2.gz QIQITDNNSJLDBB-UHFFFAOYSA-N -1 3 385.407 0.875 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N2CC3(C2)CCN(C(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)CO1 ZINC001571258549 945355114 /nfs/dbraw/zinc/35/51/14/945355114.db2.gz VUNPTZCNJCPXKV-NEPJUHHUSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N2CC3(C2)CCN(C(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)CO1 ZINC001571258549 945355129 /nfs/dbraw/zinc/35/51/29/945355129.db2.gz VUNPTZCNJCPXKV-NEPJUHHUSA-N -1 3 385.428 0.294 20 0 GCADHM Cc1cn(C)nc1C(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571258541 945357049 /nfs/dbraw/zinc/35/70/49/945357049.db2.gz VOKBCZZKTXKDIM-QGZVFWFLSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1cn(C)nc1C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571258541 945357060 /nfs/dbraw/zinc/35/70/60/945357060.db2.gz VOKBCZZKTXKDIM-QGZVFWFLSA-N -1 3 385.407 0.842 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnns1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571258555 945358751 /nfs/dbraw/zinc/35/87/51/945358751.db2.gz VYKWTPYFKGCLQP-GGVZMXCHSA-N -1 3 385.413 0.222 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnns1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571258555 945358762 /nfs/dbraw/zinc/35/87/62/945358762.db2.gz VYKWTPYFKGCLQP-GGVZMXCHSA-N -1 3 385.413 0.222 20 0 GCADHM Cc1c(CC(=O)N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)cnn1C ZINC001571258593 945359212 /nfs/dbraw/zinc/35/92/12/945359212.db2.gz WWXDFTURBSHEPR-ZDUSSCGKSA-N -1 3 385.407 0.698 20 0 GCADHM Cc1c(CC(=O)N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)cnn1C ZINC001571258593 945359221 /nfs/dbraw/zinc/35/92/21/945359221.db2.gz WWXDFTURBSHEPR-ZDUSSCGKSA-N -1 3 385.407 0.698 20 0 GCADHM Cn1ncc(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC001571258598 945359511 /nfs/dbraw/zinc/35/95/11/945359511.db2.gz XAVONEHFJSPNGP-LBPRGKRZSA-N -1 3 385.407 0.529 20 0 GCADHM Cn1ncc(C(=O)NC[C@@H]2CCCN2Cc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC001571258598 945359514 /nfs/dbraw/zinc/35/95/14/945359514.db2.gz XAVONEHFJSPNGP-LBPRGKRZSA-N -1 3 385.407 0.529 20 0 GCADHM Cc1c(C(=O)N[C@@]2(C)CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)cnn1C ZINC001571258672 945361757 /nfs/dbraw/zinc/36/17/57/945361757.db2.gz YUVLDHFVRWIYEV-KRWDZBQOSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1c(C(=O)N[C@@]2(C)CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)cnn1C ZINC001571258672 945361768 /nfs/dbraw/zinc/36/17/68/945361768.db2.gz YUVLDHFVRWIYEV-KRWDZBQOSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)[nH]1 ZINC001571258693 945361786 /nfs/dbraw/zinc/36/17/86/945361786.db2.gz ZJARUHYMYPZPSK-NOZJJQNGSA-N -1 3 385.407 0.934 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)[nH]1 ZINC001571258693 945361797 /nfs/dbraw/zinc/36/17/97/945361797.db2.gz ZJARUHYMYPZPSK-NOZJJQNGSA-N -1 3 385.407 0.934 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571258809 945365809 /nfs/dbraw/zinc/36/58/09/945365809.db2.gz BWDNLUBMOFNBAX-HBJVGIJOSA-N -1 3 385.428 0.686 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571258809 945365824 /nfs/dbraw/zinc/36/58/24/945365824.db2.gz BWDNLUBMOFNBAX-HBJVGIJOSA-N -1 3 385.428 0.686 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571258753 945363452 /nfs/dbraw/zinc/36/34/52/945363452.db2.gz APVPILNVAYIROG-STQMWFEESA-N -1 3 385.428 0.608 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)C[C@@H]3COC(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571258753 945363464 /nfs/dbraw/zinc/36/34/64/945363464.db2.gz APVPILNVAYIROG-STQMWFEESA-N -1 3 385.428 0.608 20 0 GCADHM Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2COCCO2)ccc1-c1nnn[n-]1 ZINC001571258768 945363841 /nfs/dbraw/zinc/36/38/41/945363841.db2.gz BCPFJHYIJBLUDF-GUTXKFCHSA-N -1 3 385.428 0.165 20 0 GCADHM Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2COCCO2)ccc1-c1nn[n-]n1 ZINC001571258768 945363852 /nfs/dbraw/zinc/36/38/52/945363852.db2.gz BCPFJHYIJBLUDF-GUTXKFCHSA-N -1 3 385.428 0.165 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)C2=CCOCC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571258838 945368188 /nfs/dbraw/zinc/36/81/88/945368188.db2.gz COFVVWMXFSYVEX-GFCCVEGCSA-N -1 3 385.428 0.510 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)C2=CCOCC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571258838 945368202 /nfs/dbraw/zinc/36/82/02/945368202.db2.gz COFVVWMXFSYVEX-GFCCVEGCSA-N -1 3 385.428 0.510 20 0 GCADHM CN1C(=O)CO[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccnc1 ZINC000668444038 944640566 /nfs/dbraw/zinc/64/05/66/944640566.db2.gz IDQQNRVLILQVHX-SJORKVTESA-N -1 3 393.407 0.476 20 0 GCADHM CN1C(=O)CO[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccnc1 ZINC000668444038 944640572 /nfs/dbraw/zinc/64/05/72/944640572.db2.gz IDQQNRVLILQVHX-SJORKVTESA-N -1 3 393.407 0.476 20 0 GCADHM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)cn2)CCO1 ZINC000736290544 944789768 /nfs/dbraw/zinc/78/97/68/944789768.db2.gz QTGYAIFOPPSFCE-GFCCVEGCSA-N -1 3 380.412 0.812 20 0 GCADHM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)cn2)CCO1 ZINC000736290544 944789779 /nfs/dbraw/zinc/78/97/79/944789779.db2.gz QTGYAIFOPPSFCE-GFCCVEGCSA-N -1 3 380.412 0.812 20 0 GCADHM CCC1(O)CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CC1 ZINC000736394723 944812812 /nfs/dbraw/zinc/81/28/12/944812812.db2.gz FBZSNGLJBOYHQX-GOSISDBHSA-N -1 3 399.455 0.828 20 0 GCADHM CCC1(O)CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CC1 ZINC000736394723 944812820 /nfs/dbraw/zinc/81/28/20/944812820.db2.gz FBZSNGLJBOYHQX-GOSISDBHSA-N -1 3 399.455 0.828 20 0 GCADHM CCN(C(=O)COc1ccccc1-c1nnn[n-]1)[C@H](C)CS(=O)(=O)CC ZINC000736505307 944837358 /nfs/dbraw/zinc/83/73/58/944837358.db2.gz LDXVIZZAVSSTMO-GFCCVEGCSA-N -1 3 381.458 0.917 20 0 GCADHM CCN(C(=O)COc1ccccc1-c1nn[n-]n1)[C@H](C)CS(=O)(=O)CC ZINC000736505307 944837363 /nfs/dbraw/zinc/83/73/63/944837363.db2.gz LDXVIZZAVSSTMO-GFCCVEGCSA-N -1 3 381.458 0.917 20 0 GCADHM CCc1c(C(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000736672086 944865830 /nfs/dbraw/zinc/86/58/30/944865830.db2.gz XVEDWCIAGOAROL-UHFFFAOYSA-N -1 3 378.400 0.726 20 0 GCADHM CCc1cc(CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)on1 ZINC000736675875 944866362 /nfs/dbraw/zinc/86/63/62/944866362.db2.gz MLWAAWAGEXVBON-UHFFFAOYSA-N -1 3 383.416 0.844 20 0 GCADHM CCc1cc(CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)on1 ZINC000736675875 944866369 /nfs/dbraw/zinc/86/63/69/944866369.db2.gz MLWAAWAGEXVBON-UHFFFAOYSA-N -1 3 383.416 0.844 20 0 GCADHM CN(C)C(=O)c1cccc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000736753772 944884718 /nfs/dbraw/zinc/88/47/18/944884718.db2.gz QFLAIRXHMVHHRA-UHFFFAOYSA-N -1 3 380.412 0.805 20 0 GCADHM CN(C)C(=O)c1cccc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000736753772 944884725 /nfs/dbraw/zinc/88/47/25/944884725.db2.gz QFLAIRXHMVHHRA-UHFFFAOYSA-N -1 3 380.412 0.805 20 0 GCADHM COCCS(=O)(=O)CCCn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000737013028 944930918 /nfs/dbraw/zinc/93/09/18/944930918.db2.gz DQTZIXLJFJZIHP-UHFFFAOYSA-N -1 3 391.457 0.885 20 0 GCADHM COCCS(=O)(=O)CCCn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000737013028 944930923 /nfs/dbraw/zinc/93/09/23/944930923.db2.gz DQTZIXLJFJZIHP-UHFFFAOYSA-N -1 3 391.457 0.885 20 0 GCADHM COc1ncc(C(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737163673 944975270 /nfs/dbraw/zinc/97/52/70/944975270.db2.gz MGMUUASAGMGLGQ-UHFFFAOYSA-N -1 3 378.356 0.229 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000737298961 945032607 /nfs/dbraw/zinc/03/26/07/945032607.db2.gz NFBYDTZBCHQDEP-INIZCTEOSA-N -1 3 398.448 0.949 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000737298961 945032617 /nfs/dbraw/zinc/03/26/17/945032617.db2.gz NFBYDTZBCHQDEP-INIZCTEOSA-N -1 3 398.448 0.949 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000737300479 945033256 /nfs/dbraw/zinc/03/32/56/945033256.db2.gz ZBSWDQHHOVGFST-CQSZACIVSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000737300479 945033265 /nfs/dbraw/zinc/03/32/65/945033265.db2.gz ZBSWDQHHOVGFST-CQSZACIVSA-N -1 3 389.441 0.461 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571258906 945370955 /nfs/dbraw/zinc/37/09/55/945370955.db2.gz FFGNGAKAXIOZKY-FNFWKMNBSA-N -1 3 385.428 0.200 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571258906 945370967 /nfs/dbraw/zinc/37/09/67/945370967.db2.gz FFGNGAKAXIOZKY-FNFWKMNBSA-N -1 3 385.428 0.200 20 0 GCADHM CCn1ccc(CN2CCOC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571259016 945372582 /nfs/dbraw/zinc/37/25/82/945372582.db2.gz GLMBNRLXFDYSRT-AWEZNQCLSA-N -1 3 385.432 0.042 20 0 GCADHM CCn1ccc(CN2CCOC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571259016 945372590 /nfs/dbraw/zinc/37/25/90/945372590.db2.gz GLMBNRLXFDYSRT-AWEZNQCLSA-N -1 3 385.432 0.042 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571259073 945375653 /nfs/dbraw/zinc/37/56/53/945375653.db2.gz GZPOMUBRAQKHCH-ILXRZTDVSA-N -1 3 385.428 0.247 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571259073 945375663 /nfs/dbraw/zinc/37/56/63/945375663.db2.gz GZPOMUBRAQKHCH-ILXRZTDVSA-N -1 3 385.428 0.247 20 0 GCADHM CC(C)c1nnnn1CC(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820211366 945383262 /nfs/dbraw/zinc/38/32/62/945383262.db2.gz KHCNYURJONIJTQ-ZDUSSCGKSA-N -1 3 397.399 0.325 20 0 GCADHM CC(C)c1nnnn1CC(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820211366 945383273 /nfs/dbraw/zinc/38/32/73/945383273.db2.gz KHCNYURJONIJTQ-ZDUSSCGKSA-N -1 3 397.399 0.325 20 0 GCADHM CC(C)c1nnnn1CC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820211263 945383696 /nfs/dbraw/zinc/38/36/96/945383696.db2.gz GADUYCGQXWPPBA-UHFFFAOYSA-N -1 3 377.390 0.220 20 0 GCADHM CC(C)c1nnnn1CC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820211263 945383704 /nfs/dbraw/zinc/38/37/04/945383704.db2.gz GADUYCGQXWPPBA-UHFFFAOYSA-N -1 3 377.390 0.220 20 0 GCADHM CCc1nnc(CN2CCC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001571259340 945384159 /nfs/dbraw/zinc/38/41/59/945384159.db2.gz LKJWZQRFDHUHBA-LLVKDONJSA-N -1 3 385.432 0.782 20 0 GCADHM CCc1nnc(CN2CCC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001571259340 945384169 /nfs/dbraw/zinc/38/41/69/945384169.db2.gz LKJWZQRFDHUHBA-LLVKDONJSA-N -1 3 385.432 0.782 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820211749 945387544 /nfs/dbraw/zinc/38/75/44/945387544.db2.gz WDFYTCPNWCFIPW-UHFFFAOYSA-N -1 3 382.432 0.325 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820211749 945387560 /nfs/dbraw/zinc/38/75/60/945387560.db2.gz WDFYTCPNWCFIPW-UHFFFAOYSA-N -1 3 382.432 0.325 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259558 945391481 /nfs/dbraw/zinc/39/14/81/945391481.db2.gz OPLIQXDWDDUBGJ-SMDDNHRTSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259558 945391489 /nfs/dbraw/zinc/39/14/89/945391489.db2.gz OPLIQXDWDDUBGJ-SMDDNHRTSA-N -1 3 385.428 0.077 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571259546 945391860 /nfs/dbraw/zinc/39/18/60/945391860.db2.gz OJQOHKZHUVDQSH-IMIFBBOLSA-N -1 3 385.428 0.686 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571259546 945391869 /nfs/dbraw/zinc/39/18/69/945391869.db2.gz OJQOHKZHUVDQSH-IMIFBBOLSA-N -1 3 385.428 0.686 20 0 GCADHM Cc1noc(CNC[C@@H]2[C@H](C)CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571259637 945392803 /nfs/dbraw/zinc/39/28/03/945392803.db2.gz IPKHCAJMQPGOAZ-QMTHXVAHSA-N -1 3 385.432 0.917 20 0 GCADHM Cc1noc(CNC[C@@H]2[C@H](C)CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571259637 945392815 /nfs/dbraw/zinc/39/28/15/945392815.db2.gz IPKHCAJMQPGOAZ-QMTHXVAHSA-N -1 3 385.432 0.917 20 0 GCADHM Cc1noc(CNC[C@H]2[C@H](C)CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571259639 945393328 /nfs/dbraw/zinc/39/33/28/945393328.db2.gz IPKHCAJMQPGOAZ-YGRLFVJLSA-N -1 3 385.432 0.917 20 0 GCADHM Cc1noc(CNC[C@H]2[C@H](C)CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571259639 945393340 /nfs/dbraw/zinc/39/33/40/945393340.db2.gz IPKHCAJMQPGOAZ-YGRLFVJLSA-N -1 3 385.432 0.917 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNC(=O)C2=COCCC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571259623 945393940 /nfs/dbraw/zinc/39/39/40/945393940.db2.gz PHXZXNMHFDWRQP-BXUZGUMPSA-N -1 3 385.428 0.904 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNC(=O)C2=COCCC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571259623 945393953 /nfs/dbraw/zinc/39/39/53/945393953.db2.gz PHXZXNMHFDWRQP-BXUZGUMPSA-N -1 3 385.428 0.904 20 0 GCADHM Cc1noc(CNC[C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571259636 945395130 /nfs/dbraw/zinc/39/51/30/945395130.db2.gz IPKHCAJMQPGOAZ-IINYFYTJSA-N -1 3 385.432 0.917 20 0 GCADHM Cc1noc(CNC[C@@H]2[C@@H](C)CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571259636 945395139 /nfs/dbraw/zinc/39/51/39/945395139.db2.gz IPKHCAJMQPGOAZ-IINYFYTJSA-N -1 3 385.432 0.917 20 0 GCADHM O=C(C[C@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571259945 945403145 /nfs/dbraw/zinc/40/31/45/945403145.db2.gz SLZKRCJCGZWMOQ-OPQSFPLASA-N -1 3 385.428 0.483 20 0 GCADHM O=C(C[C@H]1CCOC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571259945 945403149 /nfs/dbraw/zinc/40/31/49/945403149.db2.gz SLZKRCJCGZWMOQ-OPQSFPLASA-N -1 3 385.428 0.483 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820286618 945405934 /nfs/dbraw/zinc/40/59/34/945405934.db2.gz CZWISAFTYUAJGD-DOMZBBRYSA-N -1 3 376.417 0.739 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820286619 945406540 /nfs/dbraw/zinc/40/65/40/945406540.db2.gz CZWISAFTYUAJGD-IUODEOHRSA-N -1 3 376.417 0.739 20 0 GCADHM CCc1noc([C@@H](C)N2CC([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571260159 945409090 /nfs/dbraw/zinc/40/90/90/945409090.db2.gz WTRXZPJWVCQTSB-VHSXEESVSA-N -1 3 385.432 0.952 20 0 GCADHM CCc1noc([C@@H](C)N2CC([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571260159 945409096 /nfs/dbraw/zinc/40/90/96/945409096.db2.gz WTRXZPJWVCQTSB-VHSXEESVSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@H](NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1nnnn1C ZINC001571260156 945409711 /nfs/dbraw/zinc/40/97/11/945409711.db2.gz PHGAVQMUQNNKQZ-QWRGUYRKSA-N -1 3 385.436 0.064 20 0 GCADHM CCc1noc([C@@H](C)N2CC([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571260155 945410676 /nfs/dbraw/zinc/41/06/76/945410676.db2.gz WTRXZPJWVCQTSB-NXEZZACHSA-N -1 3 385.432 0.952 20 0 GCADHM CCc1noc([C@@H](C)N2CC([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571260155 945410683 /nfs/dbraw/zinc/41/06/83/945410683.db2.gz WTRXZPJWVCQTSB-NXEZZACHSA-N -1 3 385.432 0.952 20 0 GCADHM CO[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1)C1CC1 ZINC001571260275 945412217 /nfs/dbraw/zinc/41/22/17/945412217.db2.gz ZSUCXUXECHOYDR-NILFDRSVSA-N -1 3 385.428 0.293 20 0 GCADHM CO[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1)C1CC1 ZINC001571260275 945412222 /nfs/dbraw/zinc/41/22/22/945412222.db2.gz ZSUCXUXECHOYDR-NILFDRSVSA-N -1 3 385.428 0.293 20 0 GCADHM Cc1nc([C@H](C)NC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)no1 ZINC001571260649 945419760 /nfs/dbraw/zinc/41/97/60/945419760.db2.gz YFZNWWVTOFZRIA-GBIKHYSHSA-N -1 3 385.432 0.945 20 0 GCADHM Cc1nc([C@H](C)NC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)no1 ZINC001571260649 945419766 /nfs/dbraw/zinc/41/97/66/945419766.db2.gz YFZNWWVTOFZRIA-GBIKHYSHSA-N -1 3 385.432 0.945 20 0 GCADHM Cc1nsc(N2C[C@@H](NC(=O)c3cccc(C)c3)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571261584 945429363 /nfs/dbraw/zinc/42/93/63/945429363.db2.gz GVYFRFKZKLRFRU-OLZOCXBDSA-N -1 3 385.453 0.920 20 0 GCADHM C[C@H]([C@H](C)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)N1CCOCC1 ZINC000820365137 945430165 /nfs/dbraw/zinc/43/01/65/945430165.db2.gz HQALDGDXELRMIG-NWDGAFQWSA-N -1 3 377.424 0.914 20 0 GCADHM C[C@@H](c1csnn1)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571261705 945432030 /nfs/dbraw/zinc/43/20/30/945432030.db2.gz IXGJYYMVQVYPCY-JTQLQIEISA-N -1 3 385.457 0.955 20 0 GCADHM C[C@@H](c1csnn1)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571261705 945432035 /nfs/dbraw/zinc/43/20/35/945432035.db2.gz IXGJYYMVQVYPCY-JTQLQIEISA-N -1 3 385.457 0.955 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571261872 945432110 /nfs/dbraw/zinc/43/21/10/945432110.db2.gz KYNSMFVQTPRDBQ-ISTVAULSSA-N -1 3 385.457 0.954 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571261872 945432117 /nfs/dbraw/zinc/43/21/17/945432117.db2.gz KYNSMFVQTPRDBQ-ISTVAULSSA-N -1 3 385.457 0.954 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(Cc2nnc(C3CC3)s2)C1 ZINC001571262385 945438036 /nfs/dbraw/zinc/43/80/36/945438036.db2.gz RCGKLYNPWZWDSN-UHFFFAOYSA-N -1 3 385.457 0.880 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(Cc2nnc(C3CC3)s2)C1 ZINC001571262385 945438042 /nfs/dbraw/zinc/43/80/42/945438042.db2.gz RCGKLYNPWZWDSN-UHFFFAOYSA-N -1 3 385.457 0.880 20 0 GCADHM CC(C)N(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820438822 945449114 /nfs/dbraw/zinc/44/91/14/945449114.db2.gz XITAWRXAJQZCLI-LLVKDONJSA-N -1 3 378.458 0.933 20 0 GCADHM CC(C)N(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820438822 945449123 /nfs/dbraw/zinc/44/91/23/945449123.db2.gz XITAWRXAJQZCLI-LLVKDONJSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC1(C)C ZINC000820438490 945449257 /nfs/dbraw/zinc/44/92/57/945449257.db2.gz QPJTZZZQZFNLKW-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC1(C)C ZINC000820438490 945449263 /nfs/dbraw/zinc/44/92/63/945449263.db2.gz QPJTZZZQZFNLKW-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC1(C)C ZINC000820444174 945450512 /nfs/dbraw/zinc/45/05/12/945450512.db2.gz HGZRTWQMQWEHHL-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC1(C)C ZINC000820444174 945450515 /nfs/dbraw/zinc/45/05/15/945450515.db2.gz HGZRTWQMQWEHHL-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001571263132 945451643 /nfs/dbraw/zinc/45/16/43/945451643.db2.gz IGURXBRVFVXOHG-USWWRNFRSA-N -1 3 385.457 0.592 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001571263132 945451648 /nfs/dbraw/zinc/45/16/48/945451648.db2.gz IGURXBRVFVXOHG-USWWRNFRSA-N -1 3 385.457 0.592 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCOC1 ZINC000820450162 945452998 /nfs/dbraw/zinc/45/29/98/945452998.db2.gz HOGYUSXJTQVINS-NWDGAFQWSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCOC1 ZINC000820450162 945453002 /nfs/dbraw/zinc/45/30/02/945453002.db2.gz HOGYUSXJTQVINS-NWDGAFQWSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820467150 945457095 /nfs/dbraw/zinc/45/70/95/945457095.db2.gz BBTSONFXPVQAMN-HZMBPMFUSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820467566 945458293 /nfs/dbraw/zinc/45/82/93/945458293.db2.gz JSRAJDGANGUXSO-ABAIWWIYSA-N -1 3 389.412 0.454 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(Cc1nncs1)CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571263477 945458968 /nfs/dbraw/zinc/45/89/68/945458968.db2.gz RGBXCHLRPFUJDQ-BLLLJJGKSA-N -1 3 385.457 0.973 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(Cc1nncs1)CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571263477 945458971 /nfs/dbraw/zinc/45/89/71/945458971.db2.gz RGBXCHLRPFUJDQ-BLLLJJGKSA-N -1 3 385.457 0.973 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820469234 945460498 /nfs/dbraw/zinc/46/04/98/945460498.db2.gz YRJPLULMAYYDBJ-ZUZCIYMTSA-N -1 3 384.396 0.438 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820469234 945460500 /nfs/dbraw/zinc/46/05/00/945460500.db2.gz YRJPLULMAYYDBJ-ZUZCIYMTSA-N -1 3 384.396 0.438 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC2(C1)CCCN(Cc1csnn1)C2 ZINC001571263643 945464299 /nfs/dbraw/zinc/46/42/99/945464299.db2.gz VQZPHILYPQJPRG-UHFFFAOYSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC2(C1)CCCN(Cc1csnn1)C2 ZINC001571263643 945464307 /nfs/dbraw/zinc/46/43/07/945464307.db2.gz VQZPHILYPQJPRG-UHFFFAOYSA-N -1 3 385.457 0.785 20 0 GCADHM Cc1nnc(CN2CCC3(CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)s1 ZINC001571263844 945469477 /nfs/dbraw/zinc/46/94/77/945469477.db2.gz YDDVLUXUOMPGPX-UHFFFAOYSA-N -1 3 385.457 0.703 20 0 GCADHM Cc1nnc(CN2CCC3(CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)C2)s1 ZINC001571263844 945469480 /nfs/dbraw/zinc/46/94/80/945469480.db2.gz YDDVLUXUOMPGPX-UHFFFAOYSA-N -1 3 385.457 0.703 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)C2)NC(=O)NC1=O ZINC000820606973 945496690 /nfs/dbraw/zinc/49/66/90/945496690.db2.gz HHEVBQOYBQJKSD-XIKOKIGWSA-N -1 3 399.411 0.082 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)C2)NC(=O)NC1=O 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OAVKSDJNHRFAMS-AWEZNQCLSA-N -1 3 385.476 0.474 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001571266433 945542411 /nfs/dbraw/zinc/54/24/11/945542411.db2.gz QPUWNZLMRJDTQF-PSASIEDQSA-N -1 3 385.475 0.768 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001571266433 945542419 /nfs/dbraw/zinc/54/24/19/945542419.db2.gz QPUWNZLMRJDTQF-PSASIEDQSA-N -1 3 385.475 0.768 20 0 GCADHM O=C(N[C@@H]1CCN(CC=C(Cl)Cl)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571266928 945556699 /nfs/dbraw/zinc/55/66/99/945556699.db2.gz CQDBOTJHMIEWHW-KCJUWKMLSA-N -1 3 386.243 0.679 20 0 GCADHM O=C(N[C@@H]1CCN(CC=C(Cl)Cl)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571266928 945556706 /nfs/dbraw/zinc/55/67/06/945556706.db2.gz CQDBOTJHMIEWHW-KCJUWKMLSA-N -1 3 386.243 0.679 20 0 GCADHM C[C@H]1Oc2ccc(C(=O)COC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2NC1=O ZINC000820819775 945560052 /nfs/dbraw/zinc/56/00/52/945560052.db2.gz KOTMTECWQYROMS-MRVPVSSYSA-N -1 3 382.336 0.954 20 0 GCADHM C[C@H]1Oc2ccc(C(=O)COC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2NC1=O ZINC000820819775 945560056 /nfs/dbraw/zinc/56/00/56/945560056.db2.gz KOTMTECWQYROMS-MRVPVSSYSA-N -1 3 382.336 0.954 20 0 GCADHM COC(=O)CC[C@@H](NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1)C(=O)OC ZINC001571267114 945560772 /nfs/dbraw/zinc/56/07/72/945560772.db2.gz JPLMQYTXQKAWHS-GFCCVEGCSA-N -1 3 386.368 0.573 20 0 GCADHM COC(=O)CC[C@@H](NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1)C(=O)OC ZINC001571267114 945560780 /nfs/dbraw/zinc/56/07/80/945560780.db2.gz JPLMQYTXQKAWHS-GFCCVEGCSA-N -1 3 386.368 0.573 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](O)c2cnn(C)c2)cc1-c1nnn[n-]1 ZINC001571267071 945560917 /nfs/dbraw/zinc/56/09/17/945560917.db2.gz IMYQKPHRYFHEDF-CYBMUJFWSA-N -1 3 386.372 0.841 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@H](O)c2cnn(C)c2)cc1-c1nn[n-]n1 ZINC001571267071 945560921 /nfs/dbraw/zinc/56/09/21/945560921.db2.gz IMYQKPHRYFHEDF-CYBMUJFWSA-N -1 3 386.372 0.841 20 0 GCADHM O=C(Cc1ccoc1)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001571267223 945564478 /nfs/dbraw/zinc/56/44/78/945564478.db2.gz NCTXUMYPUKHOPJ-HZPDHXFCSA-N -1 3 386.387 0.503 20 0 GCADHM O=C(Cc1ccoc1)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001571267223 945564479 /nfs/dbraw/zinc/56/44/79/945564479.db2.gz NCTXUMYPUKHOPJ-HZPDHXFCSA-N -1 3 386.387 0.503 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571267303 945567906 /nfs/dbraw/zinc/56/79/06/945567906.db2.gz PWXDTWGCOYLTFG-UHFFFAOYSA-N -1 3 386.391 0.605 20 0 GCADHM COc1cc(NC(=O)NCc2ccc(C(N)=O)nc2)c(F)cc1-c1nnn[n-]1 ZINC001571267530 945573336 /nfs/dbraw/zinc/57/33/36/945573336.db2.gz YEPVINGUGPZDLY-UHFFFAOYSA-N -1 3 386.347 0.830 20 0 GCADHM COc1cc(NC(=O)NCc2ccc(C(N)=O)nc2)c(F)cc1-c1nn[n-]n1 ZINC001571267530 945573345 /nfs/dbraw/zinc/57/33/45/945573345.db2.gz YEPVINGUGPZDLY-UHFFFAOYSA-N -1 3 386.347 0.830 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000820861778 945574242 /nfs/dbraw/zinc/57/42/42/945574242.db2.gz NTKSRWRQZMXULF-JTQLQIEISA-N -1 3 381.414 0.303 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000820861778 945574249 /nfs/dbraw/zinc/57/42/49/945574249.db2.gz NTKSRWRQZMXULF-JTQLQIEISA-N -1 3 381.414 0.303 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)CC[C@@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001571267647 945575492 /nfs/dbraw/zinc/57/54/92/945575492.db2.gz AWIMZCSDQGSQRO-NEPJUHHUSA-N -1 3 386.416 0.091 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)CC[C@@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001571267647 945575495 /nfs/dbraw/zinc/57/54/95/945575495.db2.gz AWIMZCSDQGSQRO-NEPJUHHUSA-N -1 3 386.416 0.091 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820863875 945577019 /nfs/dbraw/zinc/57/70/19/945577019.db2.gz VNCIUCXXYNKJNW-NSHDSACASA-N -1 3 380.426 0.940 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820863875 945577027 /nfs/dbraw/zinc/57/70/27/945577027.db2.gz VNCIUCXXYNKJNW-NSHDSACASA-N -1 3 380.426 0.940 20 0 GCADHM O=C(Cn1cncn1)N1CC[C@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571267758 945577164 /nfs/dbraw/zinc/57/71/64/945577164.db2.gz DGAPXHNSICIDHS-NSHDSACASA-N -1 3 386.395 0.343 20 0 GCADHM O=C(Cn1cncn1)N1CC[C@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571267758 945577171 /nfs/dbraw/zinc/57/71/71/945577171.db2.gz DGAPXHNSICIDHS-NSHDSACASA-N -1 3 386.395 0.343 20 0 GCADHM C[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CN1C(=O)CCn1ccnn1 ZINC001571267689 945577664 /nfs/dbraw/zinc/57/76/64/945577664.db2.gz BRQYCGHWQHTQBP-JQWIXIFHSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CN1C(=O)CCn1ccnn1 ZINC001571267689 945577669 /nfs/dbraw/zinc/57/76/69/945577669.db2.gz BRQYCGHWQHTQBP-JQWIXIFHSA-N -1 3 386.395 0.484 20 0 GCADHM CCn1cc(C(=O)NC[C@@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2F)nn1 ZINC001571267906 945580707 /nfs/dbraw/zinc/58/07/07/945580707.db2.gz IIGWGQWXNZPPFT-NSHDSACASA-N -1 3 386.395 0.411 20 0 GCADHM CCn1cc(C(=O)NC[C@@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2F)nn1 ZINC001571267906 945580717 /nfs/dbraw/zinc/58/07/17/945580717.db2.gz IIGWGQWXNZPPFT-NSHDSACASA-N -1 3 386.395 0.411 20 0 GCADHM CCn1cc(C(=O)N2CCC(Nc3ncc(-c4nnn[n-]4)cc3F)CC2)nn1 ZINC001571267887 945581145 /nfs/dbraw/zinc/58/11/45/945581145.db2.gz HOQKKUYDZOFZMV-UHFFFAOYSA-N -1 3 386.395 0.729 20 0 GCADHM CCn1cc(C(=O)N2CCC(Nc3ncc(-c4nn[n-]n4)cc3F)CC2)nn1 ZINC001571267887 945581153 /nfs/dbraw/zinc/58/11/53/945581153.db2.gz HOQKKUYDZOFZMV-UHFFFAOYSA-N -1 3 386.395 0.729 20 0 GCADHM COc1ncc(NC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1-c1nnn[n-]1 ZINC001571267885 945582301 /nfs/dbraw/zinc/58/23/01/945582301.db2.gz HMRQFRKTCCYALN-SNVBAGLBSA-N -1 3 386.416 0.793 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)c1N ZINC001571267982 945584169 /nfs/dbraw/zinc/58/41/69/945584169.db2.gz KHNQRPVRAAJXIE-WAAGHKOSSA-N -1 3 386.395 0.337 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)c1N ZINC001571267982 945584177 /nfs/dbraw/zinc/58/41/77/945584177.db2.gz KHNQRPVRAAJXIE-WAAGHKOSSA-N -1 3 386.395 0.337 20 0 GCADHM CCc1nocc1CN1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571267984 945584500 /nfs/dbraw/zinc/58/45/00/945584500.db2.gz KIMUBAIMDKFWJC-LBPRGKRZSA-N -1 3 386.416 0.376 20 0 GCADHM CCc1nocc1CN1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571267984 945584503 /nfs/dbraw/zinc/58/45/03/945584503.db2.gz KIMUBAIMDKFWJC-LBPRGKRZSA-N -1 3 386.416 0.376 20 0 GCADHM C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571268006 945585040 /nfs/dbraw/zinc/58/50/40/945585040.db2.gz LCJIJEHJMGCIOV-BXKDBHETSA-N -1 3 386.395 0.492 20 0 GCADHM C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571268006 945585057 /nfs/dbraw/zinc/58/50/57/945585057.db2.gz LCJIJEHJMGCIOV-BXKDBHETSA-N -1 3 386.395 0.492 20 0 GCADHM C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571268009 945586443 /nfs/dbraw/zinc/58/64/43/945586443.db2.gz LCJIJEHJMGCIOV-SKDRFNHKSA-N -1 3 386.395 0.492 20 0 GCADHM C[C@@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571268009 945586451 /nfs/dbraw/zinc/58/64/51/945586451.db2.gz LCJIJEHJMGCIOV-SKDRFNHKSA-N -1 3 386.395 0.492 20 0 GCADHM CC[C@@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(=O)N1CCOCC1 ZINC000820919728 945590161 /nfs/dbraw/zinc/59/01/61/945590161.db2.gz FZEQZROQQFVNAH-CQSZACIVSA-N -1 3 391.407 0.442 20 0 GCADHM CC[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(=O)N1CCOCC1 ZINC000820919728 945590165 /nfs/dbraw/zinc/59/01/65/945590165.db2.gz FZEQZROQQFVNAH-CQSZACIVSA-N -1 3 391.407 0.442 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001571268295 945591761 /nfs/dbraw/zinc/59/17/61/945591761.db2.gz QWQVLXPUYAICFH-GXTWGEPZSA-N -1 3 386.391 0.027 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001571268295 945591770 /nfs/dbraw/zinc/59/17/70/945591770.db2.gz QWQVLXPUYAICFH-GXTWGEPZSA-N -1 3 386.391 0.027 20 0 GCADHM Cc1c(C(=O)N2CCC(Nc3ncc(-c4nnn[n-]4)cc3F)CC2)nnn1C ZINC001571268290 945591792 /nfs/dbraw/zinc/59/17/92/945591792.db2.gz QQHYPLZQIIUXNN-UHFFFAOYSA-N -1 3 386.395 0.554 20 0 GCADHM Cc1c(C(=O)N2CCC(Nc3ncc(-c4nn[n-]n4)cc3F)CC2)nnn1C ZINC001571268290 945591802 /nfs/dbraw/zinc/59/18/02/945591802.db2.gz QQHYPLZQIIUXNN-UHFFFAOYSA-N -1 3 386.395 0.554 20 0 GCADHM O=C(NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1)c1n[nH]cc1F ZINC001571268285 945591991 /nfs/dbraw/zinc/59/19/91/945591991.db2.gz QGLRKRGSKHKRAU-ZDUSSCGKSA-N -1 3 386.391 0.360 20 0 GCADHM Cn1nnc(C(=O)N[C@H]2CC[C@H](Nc3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC001571268242 945592117 /nfs/dbraw/zinc/59/21/17/945592117.db2.gz PFIMMLSVIVXKJT-MGCOHNPYSA-N -1 3 386.395 0.682 20 0 GCADHM Cn1nnc(C(=O)N[C@H]2CC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC001571268242 945592125 /nfs/dbraw/zinc/59/21/25/945592125.db2.gz PFIMMLSVIVXKJT-MGCOHNPYSA-N -1 3 386.395 0.682 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001571268269 945592312 /nfs/dbraw/zinc/59/23/12/945592312.db2.gz PWQPTSLGUGFJMK-CMPLNLGQSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001571268269 945592320 /nfs/dbraw/zinc/59/23/20/945592320.db2.gz PWQPTSLGUGFJMK-CMPLNLGQSA-N -1 3 386.395 0.339 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1)c1n[nH]cc1F ZINC001571268284 945592482 /nfs/dbraw/zinc/59/24/82/945592482.db2.gz QGLRKRGSKHKRAU-CYBMUJFWSA-N -1 3 386.391 0.360 20 0 GCADHM Cn1c(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)c[nH]c1=O ZINC001571268636 945600001 /nfs/dbraw/zinc/60/00/01/945600001.db2.gz VLEYRJSTMFZFKB-LLVKDONJSA-N -1 3 386.391 0.449 20 0 GCADHM CCn1nc(C)c(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571268661 945602163 /nfs/dbraw/zinc/60/21/63/945602163.db2.gz WHGGMISRKMHUGG-PHIMTYICSA-N -1 3 386.395 0.694 20 0 GCADHM CCn1nc(C)c(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571268661 945602170 /nfs/dbraw/zinc/60/21/70/945602170.db2.gz WHGGMISRKMHUGG-PHIMTYICSA-N -1 3 386.395 0.694 20 0 GCADHM CN(CCc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(S(C)(=O)=O)nc1 ZINC001571268777 945603488 /nfs/dbraw/zinc/60/34/88/945603488.db2.gz KFVUWOJRWOUGRW-UHFFFAOYSA-N -1 3 386.437 0.980 20 0 GCADHM CN(CCc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(S(C)(=O)=O)nc1 ZINC001571268777 945603496 /nfs/dbraw/zinc/60/34/96/945603496.db2.gz KFVUWOJRWOUGRW-UHFFFAOYSA-N -1 3 386.437 0.980 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2ncn(C)n2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571268871 945605842 /nfs/dbraw/zinc/60/58/42/945605842.db2.gz YAUNVORBQLQCCB-ONGXEEELSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2ncn(C)n2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571268871 945605850 /nfs/dbraw/zinc/60/58/50/945605850.db2.gz YAUNVORBQLQCCB-ONGXEEELSA-N -1 3 386.395 0.317 20 0 GCADHM Cc1nc(N2CCOC[C@H]2CNC(=O)c2cc(F)c[nH]2)ccc1-c1nnn[n-]1 ZINC001571268916 945607740 /nfs/dbraw/zinc/60/77/40/945607740.db2.gz ZKSXRTVSVRBNMX-GFCCVEGCSA-N -1 3 386.391 0.673 20 0 GCADHM Cc1nc(N2CCOC[C@H]2CNC(=O)c2cc(F)c[nH]2)ccc1-c1nn[n-]n1 ZINC001571268916 945607743 /nfs/dbraw/zinc/60/77/43/945607743.db2.gz ZKSXRTVSVRBNMX-GFCCVEGCSA-N -1 3 386.391 0.673 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cc(F)c[nH]1 ZINC001571268918 945607839 /nfs/dbraw/zinc/60/78/39/945607839.db2.gz ZMDCRMYFAWQHPJ-JOYOIKCWSA-N -1 3 386.391 0.991 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cc(F)c[nH]1 ZINC001571268918 945607843 /nfs/dbraw/zinc/60/78/43/945607843.db2.gz ZMDCRMYFAWQHPJ-JOYOIKCWSA-N -1 3 386.391 0.991 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001571269357 945617450 /nfs/dbraw/zinc/61/74/50/945617450.db2.gz WKMDVLAQLRNWAQ-DCAQKATOSA-N -1 3 386.416 0.227 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001571269357 945617452 /nfs/dbraw/zinc/61/74/52/945617452.db2.gz WKMDVLAQLRNWAQ-DCAQKATOSA-N -1 3 386.416 0.227 20 0 GCADHM Cc1nsc(N2CCN(C(=O)c3c[nH]c(C)cc3=O)CC2)c1-c1nnn[n-]1 ZINC001571269651 945623511 /nfs/dbraw/zinc/62/35/11/945623511.db2.gz BOYIKWOHRNHNQR-UHFFFAOYSA-N -1 3 386.441 0.591 20 0 GCADHM Cc1ncsc1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571269822 945625456 /nfs/dbraw/zinc/62/54/56/945625456.db2.gz DKMFPXOMKKOSQH-MGCOHNPYSA-N -1 3 386.441 0.898 20 0 GCADHM Cc1ncsc1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571269822 945625462 /nfs/dbraw/zinc/62/54/62/945625462.db2.gz DKMFPXOMKKOSQH-MGCOHNPYSA-N -1 3 386.441 0.898 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1nccs1 ZINC001571269826 945625498 /nfs/dbraw/zinc/62/54/98/945625498.db2.gz DMGFQUGATLIDAU-UHFFFAOYSA-N -1 3 386.441 0.934 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1nccs1 ZINC001571269826 945625505 /nfs/dbraw/zinc/62/55/05/945625505.db2.gz DMGFQUGATLIDAU-UHFFFAOYSA-N -1 3 386.441 0.934 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571269839 945625693 /nfs/dbraw/zinc/62/56/93/945625693.db2.gz DUEOLJLIINQMOY-MWLCHTKSSA-N -1 3 386.441 0.789 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccsn2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571269839 945625701 /nfs/dbraw/zinc/62/57/01/945625701.db2.gz DUEOLJLIINQMOY-MWLCHTKSSA-N -1 3 386.441 0.789 20 0 GCADHM Cc1nc(CC(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cs1 ZINC001571269863 945625915 /nfs/dbraw/zinc/62/59/15/945625915.db2.gz FODVYLGOGWJILM-AOOOYVTPSA-N -1 3 386.441 0.579 20 0 GCADHM Cc1nc(CC(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cs1 ZINC001571269863 945625920 /nfs/dbraw/zinc/62/59/20/945625920.db2.gz FODVYLGOGWJILM-AOOOYVTPSA-N -1 3 386.441 0.579 20 0 GCADHM Cc1nc(C)c(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)s1 ZINC001571269978 945630067 /nfs/dbraw/zinc/63/00/67/945630067.db2.gz JJMHPVGCURUHGX-LLVKDONJSA-N -1 3 386.441 0.913 20 0 GCADHM Cc1nc(C)c(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)s1 ZINC001571269978 945630072 /nfs/dbraw/zinc/63/00/72/945630072.db2.gz JJMHPVGCURUHGX-LLVKDONJSA-N -1 3 386.441 0.913 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1)c1nccs1 ZINC001571270045 945631434 /nfs/dbraw/zinc/63/14/34/945631434.db2.gz LKCUAXFMFWTPLB-GFCCVEGCSA-N -1 3 386.441 0.744 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1)c1nccs1 ZINC001571270045 945631441 /nfs/dbraw/zinc/63/14/41/945631441.db2.gz LKCUAXFMFWTPLB-GFCCVEGCSA-N -1 3 386.441 0.744 20 0 GCADHM Cc1ncc(C(=O)N[C@H](C)C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)s1 ZINC001571270311 945635486 /nfs/dbraw/zinc/63/54/86/945635486.db2.gz PYBCXAJQIKFOCN-MRVPVSSYSA-N -1 3 386.441 0.850 20 0 GCADHM Cc1ncc(C(=O)N[C@H](C)C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)s1 ZINC001571270311 945635491 /nfs/dbraw/zinc/63/54/91/945635491.db2.gz PYBCXAJQIKFOCN-MRVPVSSYSA-N -1 3 386.441 0.850 20 0 GCADHM Cc1ncc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)s1 ZINC001571270328 945635511 /nfs/dbraw/zinc/63/55/11/945635511.db2.gz QGJQOTWGOMIAFD-KCJUWKMLSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)s1 ZINC001571270328 945635515 /nfs/dbraw/zinc/63/55/15/945635515.db2.gz QGJQOTWGOMIAFD-KCJUWKMLSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1nscc1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571270556 945636243 /nfs/dbraw/zinc/63/62/43/945636243.db2.gz UWXDAMKBCBRRTD-NSHDSACASA-N -1 3 386.441 0.946 20 0 GCADHM Cc1nscc1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571270556 945636246 /nfs/dbraw/zinc/63/62/46/945636246.db2.gz UWXDAMKBCBRRTD-NSHDSACASA-N -1 3 386.441 0.946 20 0 GCADHM Cc1ncc(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)s1 ZINC001571270606 945638476 /nfs/dbraw/zinc/63/84/76/945638476.db2.gz WLJBMXBNIFRUKV-UHFFFAOYSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncc(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)s1 ZINC001571270606 945638478 /nfs/dbraw/zinc/63/84/78/945638478.db2.gz WLJBMXBNIFRUKV-UHFFFAOYSA-N -1 3 386.441 0.993 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cscn1 ZINC001571270580 945638852 /nfs/dbraw/zinc/63/88/52/945638852.db2.gz VTWCRQDBURVMOC-SKDRFNHKSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cscn1 ZINC001571270580 945638861 /nfs/dbraw/zinc/63/88/61/945638861.db2.gz VTWCRQDBURVMOC-SKDRFNHKSA-N -1 3 386.441 0.613 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)Cn3ccccc3=O)C2)c1-c1nnn[n-]1 ZINC001571270604 945638942 /nfs/dbraw/zinc/63/89/42/945638942.db2.gz WKXCQRCAEGLGDC-NSHDSACASA-N -1 3 386.441 0.188 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cscn1 ZINC001571270656 945640541 /nfs/dbraw/zinc/64/05/41/945640541.db2.gz XYFRLERTJXRTFA-JTQLQIEISA-N -1 3 386.441 0.934 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cscn1 ZINC001571270656 945640547 /nfs/dbraw/zinc/64/05/47/945640547.db2.gz XYFRLERTJXRTFA-JTQLQIEISA-N -1 3 386.441 0.934 20 0 GCADHM Cc1nscc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571270717 945640577 /nfs/dbraw/zinc/64/05/77/945640577.db2.gz ZQDIUMHLVQHVJN-AMIZOPFISA-N -1 3 386.441 0.850 20 0 GCADHM Cc1nscc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571270717 945640580 /nfs/dbraw/zinc/64/05/80/945640580.db2.gz ZQDIUMHLVQHVJN-AMIZOPFISA-N -1 3 386.441 0.850 20 0 GCADHM COc1ncccc1C(=O)N1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001571270677 945640722 /nfs/dbraw/zinc/64/07/22/945640722.db2.gz YNTZZAVYJCIRLT-UHFFFAOYSA-N -1 3 386.441 0.998 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1C)[C@H]1CCS(=O)(=O)C1 ZINC000821155214 945645260 /nfs/dbraw/zinc/64/52/60/945645260.db2.gz XNTNHESCSKPKEN-ZDUSSCGKSA-N -1 3 379.442 0.590 20 0 GCADHM CN1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571272595 945665577 /nfs/dbraw/zinc/66/55/77/945665577.db2.gz FSLIZRPBXHQOFZ-LSDHHAIUSA-N -1 3 386.460 0.385 20 0 GCADHM CN1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571272595 945665579 /nfs/dbraw/zinc/66/55/79/945665579.db2.gz FSLIZRPBXHQOFZ-LSDHHAIUSA-N -1 3 386.460 0.385 20 0 GCADHM Cc1nc(N[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)ccc1-c1nnn[n-]1 ZINC001571272897 945672858 /nfs/dbraw/zinc/67/28/58/945672858.db2.gz KKFKMZFZURZXFY-DOMZBBRYSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1nc(N[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571272897 945672867 /nfs/dbraw/zinc/67/28/67/945672867.db2.gz KKFKMZFZURZXFY-DOMZBBRYSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C)ccc1-c1nnn[n-]1 ZINC001571272899 945673367 /nfs/dbraw/zinc/67/33/67/945673367.db2.gz KKFKMZFZURZXFY-SWLSCSKDSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001571272899 945673374 /nfs/dbraw/zinc/67/33/74/945673374.db2.gz KKFKMZFZURZXFY-SWLSCSKDSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1O ZINC001571274001 945692673 /nfs/dbraw/zinc/69/26/73/945692673.db2.gz AJHLDWLQPXWCQF-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM CCOc1ccnc(N2CCN(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000821437704 945694821 /nfs/dbraw/zinc/69/48/21/945694821.db2.gz RDJDOLXBIICQNO-INIZCTEOSA-N -1 3 396.455 0.911 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cc(F)cc(F)c1 ZINC001571274572 945697079 /nfs/dbraw/zinc/69/70/79/945697079.db2.gz HLDUQDZGNKEYQV-KGLIPLIRSA-N -1 3 387.350 0.519 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cc(F)cc(F)c1 ZINC001571274572 945697081 /nfs/dbraw/zinc/69/70/81/945697081.db2.gz HLDUQDZGNKEYQV-KGLIPLIRSA-N -1 3 387.350 0.519 20 0 GCADHM Cc1cc(CC(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2O)no1 ZINC001571274658 945699573 /nfs/dbraw/zinc/69/95/73/945699573.db2.gz JQVXYORLFGWCEY-TZMCWYRMSA-N -1 3 387.375 0.211 20 0 GCADHM Cc1cc(CC(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2O)no1 ZINC001571274658 945699582 /nfs/dbraw/zinc/69/95/82/945699582.db2.gz JQVXYORLFGWCEY-TZMCWYRMSA-N -1 3 387.375 0.211 20 0 GCADHM COc1cc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)c(F)c3)CC2)on1 ZINC001571274614 945699596 /nfs/dbraw/zinc/69/95/96/945699596.db2.gz IXIFOKJYLKDOQA-UHFFFAOYSA-N -1 3 387.375 0.960 20 0 GCADHM COc1cc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)c(F)c3)CC2)on1 ZINC001571274614 945699604 /nfs/dbraw/zinc/69/96/04/945699604.db2.gz IXIFOKJYLKDOQA-UHFFFAOYSA-N -1 3 387.375 0.960 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571274841 945701369 /nfs/dbraw/zinc/70/13/69/945701369.db2.gz LTDBBSHMOQKQQE-LDYMZIIASA-N -1 3 387.379 0.413 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571274841 945701372 /nfs/dbraw/zinc/70/13/72/945701372.db2.gz LTDBBSHMOQKQQE-LDYMZIIASA-N -1 3 387.379 0.413 20 0 GCADHM O=C(NC[C@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)CCO1)c1cocn1 ZINC001571275352 945705526 /nfs/dbraw/zinc/70/55/26/945705526.db2.gz SFDGRWAITJBZOT-ZDUSSCGKSA-N -1 3 387.375 0.625 20 0 GCADHM O=C(NC[C@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1)c1cocn1 ZINC001571275352 945705535 /nfs/dbraw/zinc/70/55/35/945705535.db2.gz SFDGRWAITJBZOT-ZDUSSCGKSA-N -1 3 387.375 0.625 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001571275508 945706660 /nfs/dbraw/zinc/70/66/60/945706660.db2.gz VHXOQNQHPAAWHC-TVQRCGJNSA-N -1 3 387.379 0.466 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001571275508 945706668 /nfs/dbraw/zinc/70/66/68/945706668.db2.gz VHXOQNQHPAAWHC-TVQRCGJNSA-N -1 3 387.379 0.466 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571275534 945708862 /nfs/dbraw/zinc/70/88/62/945708862.db2.gz VWNRZRKDYQTCBT-JTQLQIEISA-N -1 3 387.379 0.020 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571275534 945708877 /nfs/dbraw/zinc/70/88/77/945708877.db2.gz VWNRZRKDYQTCBT-JTQLQIEISA-N -1 3 387.379 0.020 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)N1CCCC1 ZINC001571275662 945712213 /nfs/dbraw/zinc/71/22/13/945712213.db2.gz AFEQOVXTWUYPQI-QWHCGFSZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571275764 945713202 /nfs/dbraw/zinc/71/32/02/945713202.db2.gz BYCGAFWTWQSGEN-LLVKDONJSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571275764 945713206 /nfs/dbraw/zinc/71/32/06/945713206.db2.gz BYCGAFWTWQSGEN-LLVKDONJSA-N -1 3 386.460 0.398 20 0 GCADHM COc1ccc(CN2CCN(C(=O)C3CC(OC)C3)CC2)cc1-c1nnn[n-]1 ZINC001571275870 945717859 /nfs/dbraw/zinc/71/78/59/945717859.db2.gz DSTKDYDJAJSHIF-UHFFFAOYSA-N -1 3 386.456 0.945 20 0 GCADHM COc1ccc(CN2CCN(C(=O)C3CC(OC)C3)CC2)cc1-c1nn[n-]n1 ZINC001571275870 945717867 /nfs/dbraw/zinc/71/78/67/945717867.db2.gz DSTKDYDJAJSHIF-UHFFFAOYSA-N -1 3 386.456 0.945 20 0 GCADHM CN(C(=O)CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)C1CCCCC1 ZINC000821570809 945721323 /nfs/dbraw/zinc/72/13/23/945721323.db2.gz MDTNVPMIUPTHMJ-UHFFFAOYSA-N -1 3 393.473 0.717 20 0 GCADHM CN(C(=O)CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)C1CCCCC1 ZINC000821570809 945721326 /nfs/dbraw/zinc/72/13/26/945721326.db2.gz MDTNVPMIUPTHMJ-UHFFFAOYSA-N -1 3 393.473 0.717 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571275993 945721661 /nfs/dbraw/zinc/72/16/61/945721661.db2.gz BKALYCQHCGTBHV-RYUDHWBXSA-N -1 3 387.419 0.760 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571275993 945721666 /nfs/dbraw/zinc/72/16/66/945721666.db2.gz BKALYCQHCGTBHV-RYUDHWBXSA-N -1 3 387.419 0.760 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001571276014 945722082 /nfs/dbraw/zinc/72/20/82/945722082.db2.gz CEIARIKLDFDFTN-LBPRGKRZSA-N -1 3 387.419 0.713 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001571276014 945722090 /nfs/dbraw/zinc/72/20/90/945722090.db2.gz CEIARIKLDFDFTN-LBPRGKRZSA-N -1 3 387.419 0.713 20 0 GCADHM O=C(NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)[C@@H]1CCNC(=O)C1 ZINC001571276044 945722397 /nfs/dbraw/zinc/72/23/97/945722397.db2.gz CVYVEBSXIWCXFO-IJLUTSLNSA-N -1 3 387.419 0.839 20 0 GCADHM O=C(NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[C@@H]1CCNC(=O)C1 ZINC001571276044 945722404 /nfs/dbraw/zinc/72/24/04/945722404.db2.gz CVYVEBSXIWCXFO-IJLUTSLNSA-N -1 3 387.419 0.839 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571276120 945726052 /nfs/dbraw/zinc/72/60/52/945726052.db2.gz HKLFVCYNQVRAIL-OLZOCXBDSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571276120 945726062 /nfs/dbraw/zinc/72/60/62/945726062.db2.gz HKLFVCYNQVRAIL-OLZOCXBDSA-N -1 3 386.460 0.400 20 0 GCADHM CO[C@H](C)c1noc(CN2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571276257 945729882 /nfs/dbraw/zinc/72/98/82/945729882.db2.gz GGLYKTOCVCWMFU-SECBINFHSA-N -1 3 387.404 0.242 20 0 GCADHM CO[C@H](C)c1noc(CN2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571276257 945729887 /nfs/dbraw/zinc/72/98/87/945729887.db2.gz GGLYKTOCVCWMFU-SECBINFHSA-N -1 3 387.404 0.242 20 0 GCADHM CO[C@@H](C)c1noc(CN2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571276258 945729900 /nfs/dbraw/zinc/72/99/00/945729900.db2.gz GGLYKTOCVCWMFU-VIFPVBQESA-N -1 3 387.404 0.242 20 0 GCADHM CO[C@@H](C)c1noc(CN2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571276258 945729910 /nfs/dbraw/zinc/72/99/10/945729910.db2.gz GGLYKTOCVCWMFU-VIFPVBQESA-N -1 3 387.404 0.242 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001571276590 945732884 /nfs/dbraw/zinc/73/28/84/945732884.db2.gz JIFBDOHCZAGLKW-KGLIPLIRSA-N -1 3 386.460 0.243 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001571276590 945732890 /nfs/dbraw/zinc/73/28/90/945732890.db2.gz JIFBDOHCZAGLKW-KGLIPLIRSA-N -1 3 386.460 0.243 20 0 GCADHM O=C(NCC1CCN(C(=O)C2=COCCO2)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571276741 945736542 /nfs/dbraw/zinc/73/65/42/945736542.db2.gz KYHIJLUAIDTDHS-UHFFFAOYSA-N -1 3 387.400 0.051 20 0 GCADHM O=C(NCC1CCN(C(=O)C2=COCCO2)CC1)c1c[nH]c(-c2nn[n-]n2)c1 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O=C(C[C@@H]1CCNC1=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001571277778 945747477 /nfs/dbraw/zinc/74/74/77/945747477.db2.gz STKBRSZSVOKHDX-ZDUSSCGKSA-N -1 3 387.419 0.176 20 0 GCADHM O=C(N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001571278124 945749279 /nfs/dbraw/zinc/74/92/79/945749279.db2.gz WIRHGLNUTJXTBS-YPMHNXCESA-N -1 3 387.419 0.760 20 0 GCADHM O=C(N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001571278124 945749289 /nfs/dbraw/zinc/74/92/89/945749289.db2.gz WIRHGLNUTJXTBS-YPMHNXCESA-N -1 3 387.419 0.760 20 0 GCADHM CN(c1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001571278335 945750671 /nfs/dbraw/zinc/75/06/71/945750671.db2.gz YAIHLXYLABGRGR-DGCLKSJQSA-N -1 3 387.419 0.712 20 0 GCADHM CN(c1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001571278335 945750678 /nfs/dbraw/zinc/75/06/78/945750678.db2.gz YAIHLXYLABGRGR-DGCLKSJQSA-N -1 3 387.419 0.712 20 0 GCADHM CN1C[C@H](NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CC1=O 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C[C@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571278787 945760089 /nfs/dbraw/zinc/76/00/89/945760089.db2.gz CCPZGLRPSKMYNE-DTWKUNHWSA-N -1 3 387.429 0.639 20 0 GCADHM CNC(=O)[C@H](C)CN(C)C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000821630121 945760536 /nfs/dbraw/zinc/76/05/36/945760536.db2.gz NAXIFQWVSCUZAF-GFCCVEGCSA-N -1 3 390.444 0.875 20 0 GCADHM CNC(=O)[C@H](C)CN(C)C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000821630121 945760546 /nfs/dbraw/zinc/76/05/46/945760546.db2.gz NAXIFQWVSCUZAF-GFCCVEGCSA-N -1 3 390.444 0.875 20 0 GCADHM CC1(CC(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CCCC1 ZINC001571278793 945760893 /nfs/dbraw/zinc/76/08/93/945760893.db2.gz CFCVLHNQVQTPIF-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(CC(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CCCC1 ZINC001571278793 945760900 /nfs/dbraw/zinc/76/09/00/945760900.db2.gz CFCVLHNQVQTPIF-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM 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XGBPMLQNACISDL-SFHVURJKSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573454311 945874132 /nfs/dbraw/zinc/87/41/32/945874132.db2.gz XGBPMLQNACISDL-SFHVURJKSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573454335 945875169 /nfs/dbraw/zinc/87/51/69/945875169.db2.gz XYPLASPFQMNZGR-ACJLOTCBSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573454335 945875173 /nfs/dbraw/zinc/87/51/73/945875173.db2.gz XYPLASPFQMNZGR-ACJLOTCBSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573455223 945878036 /nfs/dbraw/zinc/87/80/36/945878036.db2.gz ADGYEGJDUNNQAV-LLVKDONJSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573455223 945878042 /nfs/dbraw/zinc/87/80/42/945878042.db2.gz ADGYEGJDUNNQAV-LLVKDONJSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573455532 945882258 /nfs/dbraw/zinc/88/22/58/945882258.db2.gz DPHJNJHOAXVZDC-UHFFFAOYSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573455532 945882266 /nfs/dbraw/zinc/88/22/66/945882266.db2.gz DPHJNJHOAXVZDC-UHFFFAOYSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573455832 945884720 /nfs/dbraw/zinc/88/47/20/945884720.db2.gz GYICGYNHAQQIKN-AAEUAGOBSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573455832 945884728 /nfs/dbraw/zinc/88/47/28/945884728.db2.gz GYICGYNHAQQIKN-AAEUAGOBSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573456763 945896659 /nfs/dbraw/zinc/89/66/59/945896659.db2.gz OJLFGLHGBZKQKR-GFCCVEGCSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573456763 945896667 /nfs/dbraw/zinc/89/66/67/945896667.db2.gz OJLFGLHGBZKQKR-GFCCVEGCSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573456962 945900698 /nfs/dbraw/zinc/90/06/98/945900698.db2.gz QNBODIIPFYZWHQ-UHFFFAOYSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573456962 945900705 /nfs/dbraw/zinc/90/07/05/945900705.db2.gz QNBODIIPFYZWHQ-UHFFFAOYSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573457219 945902984 /nfs/dbraw/zinc/90/29/84/945902984.db2.gz UHKPXCVAXUVSAX-VIFPVBQESA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573457219 945902992 /nfs/dbraw/zinc/90/29/92/945902992.db2.gz UHKPXCVAXUVSAX-VIFPVBQESA-N -1 3 378.412 0.574 20 0 GCADHM COc1ncc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cn1 ZINC000821910431 945904146 /nfs/dbraw/zinc/90/41/46/945904146.db2.gz ALRIDDHSYUFHDN-UHFFFAOYSA-N -1 3 396.411 0.879 20 0 GCADHM COc1ncc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cn1 ZINC000821910431 945904153 /nfs/dbraw/zinc/90/41/53/945904153.db2.gz ALRIDDHSYUFHDN-UHFFFAOYSA-N -1 3 396.411 0.879 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1c(Cl)cnn1C ZINC001571284926 945906836 /nfs/dbraw/zinc/90/68/36/945906836.db2.gz WQWJHLJQSDUFPG-BXKDBHETSA-N -1 3 387.835 0.903 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1c(Cl)cnn1C ZINC001571284926 945906845 /nfs/dbraw/zinc/90/68/45/945906845.db2.gz WQWJHLJQSDUFPG-BXKDBHETSA-N -1 3 387.835 0.903 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573457695 945907099 /nfs/dbraw/zinc/90/70/99/945907099.db2.gz YSYDFGCNNIEEMK-UHFFFAOYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573457695 945907106 /nfs/dbraw/zinc/90/71/06/945907106.db2.gz YSYDFGCNNIEEMK-UHFFFAOYSA-N -1 3 389.435 0.563 20 0 GCADHM Cn1cc(CC(=O)N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)cn1 ZINC001571285316 945913214 /nfs/dbraw/zinc/91/32/14/945913214.db2.gz AXYWQAHNIJJPEH-LBPRGKRZSA-N -1 3 387.835 0.904 20 0 GCADHM Cn1cc(CC(=O)N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)cn1 ZINC001571285316 945913225 /nfs/dbraw/zinc/91/32/25/945913225.db2.gz AXYWQAHNIJJPEH-LBPRGKRZSA-N -1 3 387.835 0.904 20 0 GCADHM CN1C[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CC1=O ZINC001571285318 945913411 /nfs/dbraw/zinc/91/34/11/945913411.db2.gz BAFOUFITHHNOMF-DLOVCJGASA-N -1 3 388.407 0.186 20 0 GCADHM CN1C[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CC1=O ZINC001571285318 945913423 /nfs/dbraw/zinc/91/34/23/945913423.db2.gz BAFOUFITHHNOMF-DLOVCJGASA-N -1 3 388.407 0.186 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573460157 945914258 /nfs/dbraw/zinc/91/42/58/945914258.db2.gz JZYDSMUTISJLNK-DTWKUNHWSA-N -1 3 378.412 0.621 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573460157 945914265 /nfs/dbraw/zinc/91/42/65/945914265.db2.gz JZYDSMUTISJLNK-DTWKUNHWSA-N -1 3 378.412 0.621 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573460132 945915055 /nfs/dbraw/zinc/91/50/55/945915055.db2.gz JMFGTBAKFALCAD-CYBMUJFWSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573460132 945915063 /nfs/dbraw/zinc/91/50/63/945915063.db2.gz JMFGTBAKFALCAD-CYBMUJFWSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573460695 945918112 /nfs/dbraw/zinc/91/81/12/945918112.db2.gz LTIFTIYYGLNGRL-UWVGGRQHSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573460695 945918127 /nfs/dbraw/zinc/91/81/27/945918127.db2.gz LTIFTIYYGLNGRL-UWVGGRQHSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573460683 945918224 /nfs/dbraw/zinc/91/82/24/945918224.db2.gz LTIFTIYYGLNGRL-NXEZZACHSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573460683 945918236 /nfs/dbraw/zinc/91/82/36/945918236.db2.gz LTIFTIYYGLNGRL-NXEZZACHSA-N -1 3 390.448 0.123 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571285536 945919710 /nfs/dbraw/zinc/91/97/10/945919710.db2.gz HTRDGKYWLHFLGF-ZDUSSCGKSA-N -1 3 387.835 0.897 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571285536 945919717 /nfs/dbraw/zinc/91/97/17/945919717.db2.gz HTRDGKYWLHFLGF-ZDUSSCGKSA-N -1 3 387.835 0.897 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573460870 945920829 /nfs/dbraw/zinc/92/08/29/945920829.db2.gz MOCDWRKDFAEWCM-UHFFFAOYSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573460870 945920838 /nfs/dbraw/zinc/92/08/38/945920838.db2.gz MOCDWRKDFAEWCM-UHFFFAOYSA-N -1 3 386.460 0.524 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571285522 945921511 /nfs/dbraw/zinc/92/15/11/945921511.db2.gz HJPCTXLVNKCZST-VHSXEESVSA-N -1 3 387.849 0.728 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571285522 945921520 /nfs/dbraw/zinc/92/15/20/945921520.db2.gz HJPCTXLVNKCZST-VHSXEESVSA-N -1 3 387.849 0.728 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@H]1COCCN1CC(F)(F)F ZINC001571285602 945923754 /nfs/dbraw/zinc/92/37/54/945923754.db2.gz JTHMLYFJSWOWFI-GFCCVEGCSA-N -1 3 388.325 0.885 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@H]1COCCN1CC(F)(F)F ZINC001571285602 945923759 /nfs/dbraw/zinc/92/37/59/945923759.db2.gz JTHMLYFJSWOWFI-GFCCVEGCSA-N -1 3 388.325 0.885 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573461882 945924781 /nfs/dbraw/zinc/92/47/81/945924781.db2.gz SPOSCHWPLRZNJG-NSHDSACASA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573461882 945924785 /nfs/dbraw/zinc/92/47/85/945924785.db2.gz SPOSCHWPLRZNJG-NSHDSACASA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573461879 945924870 /nfs/dbraw/zinc/92/48/70/945924870.db2.gz SMIJGRNWBBDWOV-LLVKDONJSA-N -1 3 391.451 0.857 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573461879 945924873 /nfs/dbraw/zinc/92/48/73/945924873.db2.gz SMIJGRNWBBDWOV-LLVKDONJSA-N -1 3 391.451 0.857 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@@H](C)C1 ZINC001573461861 945925780 /nfs/dbraw/zinc/92/57/80/945925780.db2.gz SAUAYZDWJOEIPY-SMDDNHRTSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@@H](C)C1 ZINC001573461861 945925791 /nfs/dbraw/zinc/92/57/91/945925791.db2.gz SAUAYZDWJOEIPY-SMDDNHRTSA-N -1 3 386.460 0.825 20 0 GCADHM O=C([C@@H]1COCCO1)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC001571285801 945928239 /nfs/dbraw/zinc/92/82/39/945928239.db2.gz OLESCNNOCVERLF-DZKIICNBSA-N -1 3 388.403 0.206 20 0 GCADHM O=C([C@@H]1COCCO1)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001571285801 945928250 /nfs/dbraw/zinc/92/82/50/945928250.db2.gz OLESCNNOCVERLF-DZKIICNBSA-N -1 3 388.403 0.206 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001573462025 945928648 /nfs/dbraw/zinc/92/86/48/945928648.db2.gz WJBZVOHMKDJBFE-UHFFFAOYSA-N -1 3 379.446 0.676 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001573462025 945928654 /nfs/dbraw/zinc/92/86/54/945928654.db2.gz WJBZVOHMKDJBFE-UHFFFAOYSA-N -1 3 379.446 0.676 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573462050 945929522 /nfs/dbraw/zinc/92/95/22/945929522.db2.gz XCYMXQPRBUZUNW-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573462050 945929527 /nfs/dbraw/zinc/92/95/27/945929527.db2.gz XCYMXQPRBUZUNW-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573462071 945929894 /nfs/dbraw/zinc/92/98/94/945929894.db2.gz YDBAGRWZOVXNLD-YUMQZZPRSA-N -1 3 380.478 0.851 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571285895 945930388 /nfs/dbraw/zinc/93/03/88/945930388.db2.gz QUSXNCWUWKFCPS-ZDUSSCGKSA-N -1 3 388.407 0.425 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571285895 945930397 /nfs/dbraw/zinc/93/03/97/945930397.db2.gz QUSXNCWUWKFCPS-ZDUSSCGKSA-N -1 3 388.407 0.425 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573462146 945931884 /nfs/dbraw/zinc/93/18/84/945931884.db2.gz ATNSRPCKFLCWQT-RISCZKNCSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573462146 945931893 /nfs/dbraw/zinc/93/18/93/945931893.db2.gz ATNSRPCKFLCWQT-RISCZKNCSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573462418 945938718 /nfs/dbraw/zinc/93/87/18/945938718.db2.gz INPBPXPOSOLDQM-CYBMUJFWSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573462418 945938726 /nfs/dbraw/zinc/93/87/26/945938726.db2.gz INPBPXPOSOLDQM-CYBMUJFWSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CC(Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573462360 945940605 /nfs/dbraw/zinc/94/06/05/945940605.db2.gz HKTUUJGOYDXEOF-UHFFFAOYSA-N -1 3 392.489 0.853 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)[C@@H](O)c1cccnc1 ZINC001571286315 945942575 /nfs/dbraw/zinc/94/25/75/945942575.db2.gz DLRMMBWSUZLYHK-RYUDHWBXSA-N -1 3 388.409 0.718 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)[C@@H](O)c1cccnc1 ZINC001571286315 945942583 /nfs/dbraw/zinc/94/25/83/945942583.db2.gz DLRMMBWSUZLYHK-RYUDHWBXSA-N -1 3 388.409 0.718 20 0 GCADHM 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945955152 /nfs/dbraw/zinc/95/51/52/945955152.db2.gz VDRHRRWCWOVQSH-UHFFFAOYSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573463337 945955156 /nfs/dbraw/zinc/95/51/56/945955156.db2.gz VDRHRRWCWOVQSH-UHFFFAOYSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573463501 945956284 /nfs/dbraw/zinc/95/62/84/945956284.db2.gz XKUPLEJAQOJKQM-ZDUSSCGKSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573463501 945956290 /nfs/dbraw/zinc/95/62/90/945956290.db2.gz XKUPLEJAQOJKQM-ZDUSSCGKSA-N -1 3 386.460 0.427 20 0 GCADHM Cc1c(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)cccc1-c1nnn[n-]1 ZINC000822068015 945959464 /nfs/dbraw/zinc/95/94/64/945959464.db2.gz NNGXVTZLLINECQ-UHFFFAOYSA-N -1 3 395.383 0.422 20 0 GCADHM Cc1c(NC(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)cccc1-c1nn[n-]n1 ZINC000822068015 945959469 /nfs/dbraw/zinc/95/94/69/945959469.db2.gz 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KBRORJKFFFJFNS-HUUUCTMMSA-N -1 3 376.396 0.327 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573467975 945989639 /nfs/dbraw/zinc/98/96/39/945989639.db2.gz KBRORJKFFFJFNS-HUUUCTMMSA-N -1 3 376.396 0.327 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573468410 945994765 /nfs/dbraw/zinc/99/47/65/945994765.db2.gz NWVBFUWPATYQHT-NSHDSACASA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573468410 945994771 /nfs/dbraw/zinc/99/47/71/945994771.db2.gz NWVBFUWPATYQHT-NSHDSACASA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573468544 945995790 /nfs/dbraw/zinc/99/57/90/945995790.db2.gz OYFSHILFMDQXEJ-SNVBAGLBSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573468544 945995800 /nfs/dbraw/zinc/99/58/00/945995800.db2.gz OYFSHILFMDQXEJ-SNVBAGLBSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573468566 945997589 /nfs/dbraw/zinc/99/75/89/945997589.db2.gz PIQPMKLMALGYEK-SECBINFHSA-N -1 3 380.840 0.334 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573468566 945997596 /nfs/dbraw/zinc/99/75/96/945997596.db2.gz PIQPMKLMALGYEK-SECBINFHSA-N -1 3 380.840 0.334 20 0 GCADHM COc1nscc1CN1CC([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571289347 946004473 /nfs/dbraw/zinc/00/44/73/946004473.db2.gz AEAGHZTZIJOGAR-VIFPVBQESA-N -1 3 388.457 0.910 20 0 GCADHM COc1nscc1CN1CC([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571289347 946004485 /nfs/dbraw/zinc/00/44/85/946004485.db2.gz AEAGHZTZIJOGAR-VIFPVBQESA-N -1 3 388.457 0.910 20 0 GCADHM Cc1nsc(N2CCC(NC(=O)[C@@H](C)n3cncn3)CC2)c1-c1nnn[n-]1 ZINC001571289455 946005930 /nfs/dbraw/zinc/00/59/30/946005930.db2.gz DYWLQUZRWOGCQZ-SNVBAGLBSA-N -1 3 388.461 0.569 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@@H](Nc3snc(C)c3-c3nnn[n-]3)C2)[nH]1 ZINC001571289458 946007081 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389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470046 946016433 /nfs/dbraw/zinc/01/64/33/946016433.db2.gz AWQWPFNJMAHBFR-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470046 946016444 /nfs/dbraw/zinc/01/64/44/946016444.db2.gz AWQWPFNJMAHBFR-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM CCn1cc(C(=O)N[C@H]2CCCN(c3snc(C)c3-c3nnn[n-]3)C2)nn1 ZINC001571289783 946016572 /nfs/dbraw/zinc/01/65/72/946016572.db2.gz MJKTUFUMBIWMNX-JTQLQIEISA-N -1 3 388.461 0.642 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nnn[n-]2)cc1F ZINC001573470087 946017030 /nfs/dbraw/zinc/01/70/30/946017030.db2.gz BABDKFGQTBXNMM-TVYUQYBPSA-N -1 3 388.407 0.105 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nn[n-]n2)cc1F ZINC001573470087 946017040 /nfs/dbraw/zinc/01/70/40/946017040.db2.gz BABDKFGQTBXNMM-TVYUQYBPSA-N -1 3 388.407 0.105 20 0 GCADHM 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CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470346 946021665 /nfs/dbraw/zinc/02/16/65/946021665.db2.gz DAVUCEXUBQZNEW-KZULUSFZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C(C)(C)C1 ZINC001573470329 946022469 /nfs/dbraw/zinc/02/24/69/946022469.db2.gz CVPWEKYGWDJIIW-MWLCHTKSSA-N -1 3 392.489 0.805 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573470384 946022634 /nfs/dbraw/zinc/02/26/34/946022634.db2.gz DLSNAWDCNPCHIU-UGFHNGPFSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573470384 946022646 /nfs/dbraw/zinc/02/26/46/946022646.db2.gz DLSNAWDCNPCHIU-UGFHNGPFSA-N -1 3 384.444 0.356 20 0 GCADHM Cc1nsc(N(C)C[C@H]2CCCCN2C(=O)c2nc[nH]n2)c1-c1nnn[n-]1 ZINC001571289961 946023851 /nfs/dbraw/zinc/02/38/51/946023851.db2.gz QXTVBPZMLQEBGK-SNVBAGLBSA-N -1 3 388.461 0.881 20 0 GCADHM Cc1ccc(CN2CCSCC2)cc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822237309 946023940 /nfs/dbraw/zinc/02/39/40/946023940.db2.gz OJDWFJAPKBZHQI-UHFFFAOYSA-N -1 3 399.484 0.954 20 0 GCADHM Cc1ccc(CN2CCSCC2)cc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822237309 946023952 /nfs/dbraw/zinc/02/39/52/946023952.db2.gz OJDWFJAPKBZHQI-UHFFFAOYSA-N -1 3 399.484 0.954 20 0 GCADHM Cc1nsc(N(C)C2CCN(C(=O)Cn3cncn3)CC2)c1-c1nnn[n-]1 ZINC001571289971 946024059 /nfs/dbraw/zinc/02/40/59/946024059.db2.gz RFTJKLXLMAFABF-UHFFFAOYSA-N -1 3 388.461 0.351 20 0 GCADHM CCn1nncc1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001571290037 946026541 /nfs/dbraw/zinc/02/65/41/946026541.db2.gz TVAMAPKBSUVZFZ-PSASIEDQSA-N -1 3 388.461 0.498 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573470537 946027000 /nfs/dbraw/zinc/02/70/00/946027000.db2.gz GQHRIQADHCCJDK-JQWIXIFHSA-N -1 3 392.489 0.441 20 0 GCADHM COCc1nc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cs1 ZINC001571290104 946028074 /nfs/dbraw/zinc/02/80/74/946028074.db2.gz 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CC(=O)N[C@H](C)C(=O)N1CCC(N(C)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573470658 946032316 /nfs/dbraw/zinc/03/23/16/946032316.db2.gz IJUVFFWJCLGVQZ-LLVKDONJSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573470658 946032332 /nfs/dbraw/zinc/03/23/32/946032332.db2.gz IJUVFFWJCLGVQZ-LLVKDONJSA-N -1 3 389.435 0.958 20 0 GCADHM CN(C)c1nc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)ns1 ZINC001571290258 946034392 /nfs/dbraw/zinc/03/43/92/946034392.db2.gz YUNKJVRFXMXHCZ-SECBINFHSA-N -1 3 388.461 0.117 20 0 GCADHM CN(C)c1nc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)ns1 ZINC001571290258 946034400 /nfs/dbraw/zinc/03/44/00/946034400.db2.gz YUNKJVRFXMXHCZ-SECBINFHSA-N -1 3 388.461 0.117 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573470727 946036078 /nfs/dbraw/zinc/03/60/78/946036078.db2.gz JMMSVNUVRCVHDX-KZULUSFZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573470727 946036089 /nfs/dbraw/zinc/03/60/89/946036089.db2.gz JMMSVNUVRCVHDX-KZULUSFZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573470729 946038336 /nfs/dbraw/zinc/03/83/36/946038336.db2.gz JMMSVNUVRCVHDX-XIKOKIGWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573470729 946038343 /nfs/dbraw/zinc/03/83/43/946038343.db2.gz JMMSVNUVRCVHDX-XIKOKIGWSA-N -1 3 386.460 0.745 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571290335 946038711 /nfs/dbraw/zinc/03/87/11/946038711.db2.gz AUGSMSYVBGRKMW-NSHDSACASA-N -1 3 388.823 0.292 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571290335 946038723 /nfs/dbraw/zinc/03/87/23/946038723.db2.gz AUGSMSYVBGRKMW-NSHDSACASA-N -1 3 388.823 0.292 20 0 GCADHM O=C(Cn1cncn1)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571290334 946038916 /nfs/dbraw/zinc/03/89/16/946038916.db2.gz 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GQAKIZXACIXBEY-JSGCOSHPSA-N -1 3 389.391 0.195 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)[C@@H]1COC(=O)N1 ZINC001571291227 946073013 /nfs/dbraw/zinc/07/30/13/946073013.db2.gz GQAKIZXACIXBEY-JSGCOSHPSA-N -1 3 389.391 0.195 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573472994 946074125 /nfs/dbraw/zinc/07/41/25/946074125.db2.gz YTRVQWRZBDKQFD-SGTLLEGYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573472994 946074133 /nfs/dbraw/zinc/07/41/33/946074133.db2.gz YTRVQWRZBDKQFD-SGTLLEGYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573473278 946075710 /nfs/dbraw/zinc/07/57/10/946075710.db2.gz BBAKIGLXJOBEPX-LLVKDONJSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573473278 946075721 /nfs/dbraw/zinc/07/57/21/946075721.db2.gz BBAKIGLXJOBEPX-LLVKDONJSA-N -1 3 375.408 0.175 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001571291791 946081516 /nfs/dbraw/zinc/08/15/16/946081516.db2.gz PBTFZGJPDZIMQP-CQSZACIVSA-N -1 3 389.391 0.149 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001571291791 946081526 /nfs/dbraw/zinc/08/15/26/946081526.db2.gz PBTFZGJPDZIMQP-CQSZACIVSA-N -1 3 389.391 0.149 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001573473586 946082521 /nfs/dbraw/zinc/08/25/21/946082521.db2.gz FAKRJMLRJGGYKK-BBATYDOGSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001573473586 946082534 /nfs/dbraw/zinc/08/25/34/946082534.db2.gz FAKRJMLRJGGYKK-BBATYDOGSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001573473781 946082854 /nfs/dbraw/zinc/08/28/54/946082854.db2.gz FJRNYOOXDQEYHA-ITDIGPHOSA-N -1 3 387.419 0.568 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001573473781 946082867 /nfs/dbraw/zinc/08/28/67/946082867.db2.gz FJRNYOOXDQEYHA-ITDIGPHOSA-N -1 3 387.419 0.568 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573474092 946084867 /nfs/dbraw/zinc/08/48/67/946084867.db2.gz IGLCYOYHITVZJU-WDEREUQCSA-N -1 3 389.435 0.467 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573474271 946089156 /nfs/dbraw/zinc/08/91/56/946089156.db2.gz JNDNCHXMEJPJFS-SWHYSGLUSA-N -1 3 387.419 0.316 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573474271 946089166 /nfs/dbraw/zinc/08/91/66/946089166.db2.gz JNDNCHXMEJPJFS-SWHYSGLUSA-N -1 3 387.419 0.316 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573474628 946090761 /nfs/dbraw/zinc/09/07/61/946090761.db2.gz LYJAIRJQOPHQFA-NSHDSACASA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573474628 946090767 /nfs/dbraw/zinc/09/07/67/946090767.db2.gz LYJAIRJQOPHQFA-NSHDSACASA-N -1 3 375.408 0.175 20 0 GCADHM Cc1nnc(CCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)[nH]1 ZINC000822441096 946091606 /nfs/dbraw/zinc/09/16/06/946091606.db2.gz SQUPRLJHESCAKF-UHFFFAOYSA-N -1 3 379.388 0.034 20 0 GCADHM Cc1nnc(CCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)[nH]1 ZINC000822441096 946091615 /nfs/dbraw/zinc/09/16/15/946091615.db2.gz SQUPRLJHESCAKF-UHFFFAOYSA-N -1 3 379.388 0.034 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573474599 946091820 /nfs/dbraw/zinc/09/18/20/946091820.db2.gz LJJRXUFUXJOCMZ-OCCSQVGLSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573474599 946091828 /nfs/dbraw/zinc/09/18/28/946091828.db2.gz LJJRXUFUXJOCMZ-OCCSQVGLSA-N -1 3 386.460 0.604 20 0 GCADHM Cc1nc(CN2CCCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)no1 ZINC000822441379 946092833 /nfs/dbraw/zinc/09/28/33/946092833.db2.gz XUGITLJFDADLND-UHFFFAOYSA-N -1 3 397.443 0.976 20 0 GCADHM Cc1nc(CN2CCCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)no1 ZINC000822441379 946092846 /nfs/dbraw/zinc/09/28/46/946092846.db2.gz XUGITLJFDADLND-UHFFFAOYSA-N -1 3 397.443 0.976 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001571292421 946096036 /nfs/dbraw/zinc/09/60/36/946096036.db2.gz ZLDQYTTXSOIPFT-GHMZBOCLSA-N -1 3 389.391 0.938 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001571292421 946096045 /nfs/dbraw/zinc/09/60/45/946096045.db2.gz ZLDQYTTXSOIPFT-GHMZBOCLSA-N -1 3 389.391 0.938 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573474680 946096120 /nfs/dbraw/zinc/09/61/20/946096120.db2.gz MTVNUKCYUSUZJX-TZMCWYRMSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573474680 946096131 /nfs/dbraw/zinc/09/61/31/946096131.db2.gz MTVNUKCYUSUZJX-TZMCWYRMSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573475379 946099649 /nfs/dbraw/zinc/09/96/49/946099649.db2.gz STBIKLJSVLIOLD-DFBGVHRSSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573475379 946099661 /nfs/dbraw/zinc/09/96/61/946099661.db2.gz STBIKLJSVLIOLD-DFBGVHRSSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573475600 946102911 /nfs/dbraw/zinc/10/29/11/946102911.db2.gz WCTTYWNRJKXCQG-GFCCVEGCSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573475600 946102918 /nfs/dbraw/zinc/10/29/18/946102918.db2.gz WCTTYWNRJKXCQG-GFCCVEGCSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573475762 946104067 /nfs/dbraw/zinc/10/40/67/946104067.db2.gz ALWWRJCZEPQBPO-VIFPVBQESA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573475762 946104070 /nfs/dbraw/zinc/10/40/70/946104070.db2.gz ALWWRJCZEPQBPO-VIFPVBQESA-N -1 3 376.396 0.010 20 0 GCADHM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)C2=COCCO2)c1-c1nnn[n-]1 ZINC001571293383 946104123 /nfs/dbraw/zinc/10/41/23/946104123.db2.gz GUWRYMMNAQNTMW-PHIMTYICSA-N -1 3 389.441 0.699 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573475761 946104918 /nfs/dbraw/zinc/10/49/18/946104918.db2.gz ALWWRJCZEPQBPO-SECBINFHSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573475761 946104925 /nfs/dbraw/zinc/10/49/25/946104925.db2.gz ALWWRJCZEPQBPO-SECBINFHSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573475789 946106905 /nfs/dbraw/zinc/10/69/05/946106905.db2.gz AVXIWWMCIVDCAE-GXTWGEPZSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573475789 946106910 /nfs/dbraw/zinc/10/69/10/946106910.db2.gz AVXIWWMCIVDCAE-GXTWGEPZSA-N -1 3 386.460 0.570 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC001571293549 946108314 /nfs/dbraw/zinc/10/83/14/946108314.db2.gz LAFBBZYQFVLBGP-BXUZGUMPSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC001571293549 946108322 /nfs/dbraw/zinc/10/83/22/946108322.db2.gz LAFBBZYQFVLBGP-BXUZGUMPSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC001571293551 946109639 /nfs/dbraw/zinc/10/96/39/946109639.db2.gz LAFBBZYQFVLBGP-RISCZKNCSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC001571293551 946109644 /nfs/dbraw/zinc/10/96/44/946109644.db2.gz LAFBBZYQFVLBGP-RISCZKNCSA-N -1 3 389.460 0.977 20 0 GCADHM Cn1nccc1[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001571293723 946112940 /nfs/dbraw/zinc/11/29/40/946112940.db2.gz PWPOIYDCENQUDC-DOMZBBRYSA-N -1 3 389.441 0.799 20 0 GCADHM Cn1nccc1[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001571293723 946112947 /nfs/dbraw/zinc/11/29/47/946112947.db2.gz PWPOIYDCENQUDC-DOMZBBRYSA-N -1 3 389.441 0.799 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)[C@H](C)C1 ZINC001573476109 946114221 /nfs/dbraw/zinc/11/42/21/946114221.db2.gz ZHOYUEZXHBNGDR-MPKXVKKWSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)[C@H](C)C1 ZINC001573476109 946114230 /nfs/dbraw/zinc/11/42/30/946114230.db2.gz ZHOYUEZXHBNGDR-MPKXVKKWSA-N -1 3 386.460 0.601 20 0 GCADHM Cc1noc(C)c1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001571293910 946120840 /nfs/dbraw/zinc/12/08/40/946120840.db2.gz VODYMNVNDAQAAK-VXGBXAGGSA-N -1 3 389.441 0.508 20 0 GCADHM Cc1noc(C)c1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O ZINC001571293910 946120846 /nfs/dbraw/zinc/12/08/46/946120846.db2.gz VODYMNVNDAQAAK-VXGBXAGGSA-N -1 3 389.441 0.508 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573476557 946121629 /nfs/dbraw/zinc/12/16/29/946121629.db2.gz HYDKECQWZDMXJN-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573476557 946121634 /nfs/dbraw/zinc/12/16/34/946121634.db2.gz HYDKECQWZDMXJN-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM Cc1nsc(NC2CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)c1-c1nnn[n-]1 ZINC001571294031 946123626 /nfs/dbraw/zinc/12/36/26/946123626.db2.gz YQNCHJKTPMIWKW-UHFFFAOYSA-N -1 3 389.445 0.787 20 0 GCADHM Cc1nsc(NC2CCN(C(=O)c3cn(C)c(=O)[nH]3)CC2)c1-c1nn[n-]n1 ZINC001571294031 946123631 /nfs/dbraw/zinc/12/36/31/946123631.db2.gz YQNCHJKTPMIWKW-UHFFFAOYSA-N -1 3 389.445 0.787 20 0 GCADHM Cc1nsc(N2CCO[C@@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)c1-c1nnn[n-]1 ZINC001571294081 946125543 /nfs/dbraw/zinc/12/55/43/946125543.db2.gz ABSBJLRSGWAPAI-RWMBFGLXSA-N -1 3 389.485 0.999 20 0 GCADHM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NCCN1CCC(O)CC1 ZINC001571294064 946125924 /nfs/dbraw/zinc/12/59/24/946125924.db2.gz ZKGBGSCYDFVUFU-UHFFFAOYSA-N -1 3 389.460 0.090 20 0 GCADHM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCN1CCC(O)CC1 ZINC001571294064 946125930 /nfs/dbraw/zinc/12/59/30/946125930.db2.gz ZKGBGSCYDFVUFU-UHFFFAOYSA-N -1 3 389.460 0.090 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573476934 946128475 /nfs/dbraw/zinc/12/84/75/946128475.db2.gz LNFWADHTOJSOHG-MNOVXSKESA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573476934 946128479 /nfs/dbraw/zinc/12/84/79/946128479.db2.gz LNFWADHTOJSOHG-MNOVXSKESA-N -1 3 377.424 0.467 20 0 GCADHM Cc1[nH]nc(Cl)c1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571294324 946131694 /nfs/dbraw/zinc/13/16/94/946131694.db2.gz FOAOMBITKZURNY-MRVPVSSYSA-N -1 3 389.807 0.524 20 0 GCADHM Cc1[nH]nc(Cl)c1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571294324 946131699 /nfs/dbraw/zinc/13/16/99/946131699.db2.gz FOAOMBITKZURNY-MRVPVSSYSA-N -1 3 389.807 0.524 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573477344 946134512 /nfs/dbraw/zinc/13/45/12/946134512.db2.gz OVZURBFRMMQLDQ-IAQYHMDHSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573477344 946134517 /nfs/dbraw/zinc/13/45/17/946134517.db2.gz OVZURBFRMMQLDQ-IAQYHMDHSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573477427 946136907 /nfs/dbraw/zinc/13/69/07/946136907.db2.gz QPSWXHOBGFQHPK-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573477427 946136911 /nfs/dbraw/zinc/13/69/11/946136911.db2.gz QPSWXHOBGFQHPK-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573477574 946139234 /nfs/dbraw/zinc/13/92/34/946139234.db2.gz RVWVGEIEBRTZQC-ZYHUDNBSSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573477574 946139237 /nfs/dbraw/zinc/13/92/37/946139237.db2.gz RVWVGEIEBRTZQC-ZYHUDNBSSA-N -1 3 375.408 0.615 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncncc2Cl)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571294649 946141318 /nfs/dbraw/zinc/14/13/18/946141318.db2.gz KQYNSKNUSZDQNH-ZYHUDNBSSA-N -1 3 389.807 0.008 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncncc2Cl)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571294649 946141321 /nfs/dbraw/zinc/14/13/21/946141321.db2.gz KQYNSKNUSZDQNH-ZYHUDNBSSA-N -1 3 389.807 0.008 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCO[C@H](CNc2ncncc2Cl)C1 ZINC001571294672 946141543 /nfs/dbraw/zinc/14/15/43/946141543.db2.gz LNSNLXRRPOMVDS-SNVBAGLBSA-N -1 3 389.807 0.591 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCO[C@H](CNc2ncncc2Cl)C1 ZINC001571294672 946141549 /nfs/dbraw/zinc/14/15/49/946141549.db2.gz LNSNLXRRPOMVDS-SNVBAGLBSA-N -1 3 389.807 0.591 20 0 GCADHM Cn1nc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1Cl ZINC001571294810 946144934 /nfs/dbraw/zinc/14/49/34/946144934.db2.gz MLVGMPGDFBMWRG-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1nc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cc1Cl ZINC001571294810 946144941 /nfs/dbraw/zinc/14/49/41/946144941.db2.gz MLVGMPGDFBMWRG-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2snc(C)c2-c2nnn[n-]2)CC1(C)C ZINC001573478250 946146093 /nfs/dbraw/zinc/14/60/93/946146093.db2.gz WEHHVWMBFLBEBX-KOLCDFICSA-N -1 3 392.489 0.487 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573478831 946152765 /nfs/dbraw/zinc/15/27/65/946152765.db2.gz YYIXQIWIRGHXTQ-ABKXIKBNSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573478831 946152768 /nfs/dbraw/zinc/15/27/68/946152768.db2.gz YYIXQIWIRGHXTQ-ABKXIKBNSA-N -1 3 392.851 0.525 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000822674269 946152873 /nfs/dbraw/zinc/15/28/73/946152873.db2.gz PFYXPBLPBBFPCT-CYBMUJFWSA-N -1 3 394.439 0.421 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822674269 946152882 /nfs/dbraw/zinc/15/28/82/946152882.db2.gz PFYXPBLPBBFPCT-CYBMUJFWSA-N -1 3 394.439 0.421 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573478859 946152890 /nfs/dbraw/zinc/15/28/90/946152890.db2.gz ZBICOLWBQUXJLG-DTWKUNHWSA-N -1 3 380.840 0.381 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573478859 946152898 /nfs/dbraw/zinc/15/28/98/946152898.db2.gz ZBICOLWBQUXJLG-DTWKUNHWSA-N -1 3 380.840 0.381 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573478962 946154281 /nfs/dbraw/zinc/15/42/81/946154281.db2.gz ZOJXVPQYPUWXES-IINYFYTJSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573478989 946154363 /nfs/dbraw/zinc/15/43/63/946154363.db2.gz ZYXBOYPEOJFJER-DUACVJHASA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573478989 946154371 /nfs/dbraw/zinc/15/43/71/946154371.db2.gz ZYXBOYPEOJFJER-DUACVJHASA-N -1 3 376.396 0.232 20 0 GCADHM Cn1cc(N2CCN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)cn1 ZINC000822685120 946155571 /nfs/dbraw/zinc/15/55/71/946155571.db2.gz SLNMYZXVKWQGSE-UHFFFAOYSA-N -1 3 388.457 0.252 20 0 GCADHM Cn1cc(N2CCN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000822685120 946155574 /nfs/dbraw/zinc/15/55/74/946155574.db2.gz SLNMYZXVKWQGSE-UHFFFAOYSA-N -1 3 388.457 0.252 20 0 GCADHM C[C@H]1C[C@H](NCc2nn(C)cc2Cl)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571295295 946159092 /nfs/dbraw/zinc/15/90/92/946159092.db2.gz WQJRLDXLPFUQFO-ONGXEEELSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@H]1C[C@H](NCc2nn(C)cc2Cl)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571295295 946159098 /nfs/dbraw/zinc/15/90/98/946159098.db2.gz WQJRLDXLPFUQFO-ONGXEEELSA-N -1 3 389.851 0.975 20 0 GCADHM Cn1cc(Cl)c(CN[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571295323 946159223 /nfs/dbraw/zinc/15/92/23/946159223.db2.gz XYCDGQQBGFKKTG-LLVKDONJSA-N -1 3 389.851 0.976 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(Cc2nn(C)cc2Cl)C1 ZINC001571295368 946161717 /nfs/dbraw/zinc/16/17/17/946161717.db2.gz YZCDBIYUOXFASV-SECBINFHSA-N -1 3 389.851 0.832 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(Cc2nn(C)cc2Cl)C1 ZINC001571295368 946161719 /nfs/dbraw/zinc/16/17/19/946161719.db2.gz YZCDBIYUOXFASV-SECBINFHSA-N -1 3 389.851 0.832 20 0 GCADHM Cc1occc1C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O ZINC001571295402 946162254 /nfs/dbraw/zinc/16/22/54/946162254.db2.gz RXWYWEXFAVXUTK-OLZOCXBDSA-N -1 3 389.803 0.796 20 0 GCADHM Cc1occc1C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O ZINC001571295402 946162259 /nfs/dbraw/zinc/16/22/59/946162259.db2.gz RXWYWEXFAVXUTK-OLZOCXBDSA-N -1 3 389.803 0.796 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC001573479534 946163079 /nfs/dbraw/zinc/16/30/79/946163079.db2.gz FBOOATJCWKOGTF-SECBINFHSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC001573479534 946163087 /nfs/dbraw/zinc/16/30/87/946163087.db2.gz FBOOATJCWKOGTF-SECBINFHSA-N -1 3 392.851 0.891 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)c3occc3Cl)[C@@H](O)C2)n1 ZINC001571295448 946164017 /nfs/dbraw/zinc/16/40/17/946164017.db2.gz TVRMLFSCFJYHRC-NEPJUHHUSA-N -1 3 389.803 0.796 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)c3occc3Cl)[C@@H](O)C2)n1 ZINC001571295448 946164021 /nfs/dbraw/zinc/16/40/21/946164021.db2.gz TVRMLFSCFJYHRC-NEPJUHHUSA-N -1 3 389.803 0.796 20 0 GCADHM O=C([C@H]1CCCC(=O)N1)N1CCCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571295517 946166581 /nfs/dbraw/zinc/16/65/81/946166581.db2.gz WJQXWQMWNAYJND-CYBMUJFWSA-N -1 3 389.485 0.631 20 0 GCADHM O=C(CC1OCCCO1)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571295675 946172336 /nfs/dbraw/zinc/17/23/36/946172336.db2.gz BWGKSNUYWJCCNI-AWEZNQCLSA-N -1 3 390.419 0.849 20 0 GCADHM CO[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC001571295709 946172874 /nfs/dbraw/zinc/17/28/74/946172874.db2.gz CVBRMJPTMFAKJD-NJZAAPMLSA-N -1 3 390.419 0.752 20 0 GCADHM CO[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1NC(=O)C[C@@H]1CCOC1 ZINC001571295709 946172880 /nfs/dbraw/zinc/17/28/80/946172880.db2.gz CVBRMJPTMFAKJD-NJZAAPMLSA-N -1 3 390.419 0.752 20 0 GCADHM O=C(C[C@@H]1CCCOC1)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001571295886 946176107 /nfs/dbraw/zinc/17/61/07/946176107.db2.gz IODNYAQLVJLWQA-NJZAAPMLSA-N -1 3 390.419 0.488 20 0 GCADHM O=C(C[C@@H]1CCCOC1)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001571295886 946176111 /nfs/dbraw/zinc/17/61/11/946176111.db2.gz IODNYAQLVJLWQA-NJZAAPMLSA-N -1 3 390.419 0.488 20 0 GCADHM COC(=O)c1cc(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)n(C)c1C ZINC001571295931 946178758 /nfs/dbraw/zinc/17/87/58/946178758.db2.gz JUXPHQPJTZOEQC-UHFFFAOYSA-N -1 3 390.425 0.779 20 0 GCADHM COC(=O)c1cc(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)n(C)c1C ZINC001571295931 946178761 /nfs/dbraw/zinc/17/87/61/946178761.db2.gz JUXPHQPJTZOEQC-UHFFFAOYSA-N -1 3 390.425 0.779 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573481348 946179310 /nfs/dbraw/zinc/17/93/10/946179310.db2.gz OGNXDLLDVDWJJP-SNVBAGLBSA-N -1 3 375.408 0.078 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2O)CCCOC1 ZINC001571295928 946179716 /nfs/dbraw/zinc/17/97/16/946179716.db2.gz JPHNIIBLRNPSEP-RVZJWNSFSA-N -1 3 390.419 0.488 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2O)CCCOC1 ZINC001571295928 946179726 /nfs/dbraw/zinc/17/97/26/946179726.db2.gz JPHNIIBLRNPSEP-RVZJWNSFSA-N -1 3 390.419 0.488 20 0 GCADHM CN(C(=O)c1csc(=O)[nH]1)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571295899 946180139 /nfs/dbraw/zinc/18/01/39/946180139.db2.gz IVGJONVFQOQOID-SECBINFHSA-N -1 3 390.404 0.914 20 0 GCADHM CN1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571295966 946180211 /nfs/dbraw/zinc/18/02/11/946180211.db2.gz KMMDCOPZSGDZCD-JKOKRWQUSA-N -1 3 390.423 0.038 20 0 GCADHM CN1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571295966 946180218 /nfs/dbraw/zinc/18/02/18/946180218.db2.gz KMMDCOPZSGDZCD-JKOKRWQUSA-N -1 3 390.423 0.038 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1=CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573481663 946184800 /nfs/dbraw/zinc/18/48/00/946184800.db2.gz QRYVNUNJNCYGQY-LLVKDONJSA-N -1 3 387.419 0.783 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1=CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573481663 946184807 /nfs/dbraw/zinc/18/48/07/946184807.db2.gz QRYVNUNJNCYGQY-LLVKDONJSA-N -1 3 387.419 0.783 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573481723 946186954 /nfs/dbraw/zinc/18/69/54/946186954.db2.gz RHZFIMUVUNWPOH-JTQLQIEISA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573481723 946186962 /nfs/dbraw/zinc/18/69/62/946186962.db2.gz RHZFIMUVUNWPOH-JTQLQIEISA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573482236 946193931 /nfs/dbraw/zinc/19/39/31/946193931.db2.gz VMCHJTDDSPKJTB-YPMHNXCESA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573482236 946193934 /nfs/dbraw/zinc/19/39/34/946193934.db2.gz VMCHJTDDSPKJTB-YPMHNXCESA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573482278 946194533 /nfs/dbraw/zinc/19/45/33/946194533.db2.gz VZZLCDLGXGRDKL-YMTOWFKASA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573482278 946194540 /nfs/dbraw/zinc/19/45/40/946194540.db2.gz VZZLCDLGXGRDKL-YMTOWFKASA-N -1 3 375.408 0.837 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571297828 946198890 /nfs/dbraw/zinc/19/88/90/946198890.db2.gz ANEDVDJWXBCHTF-MUYACECFSA-N -1 3 390.469 0.138 20 0 GCADHM Cc1nsc(N[C@@H]2CN(C(=O)C[C@H]3CCNC3=O)C[C@H]2C)c1-c1nnn[n-]1 ZINC001571297926 946200418 /nfs/dbraw/zinc/20/04/18/946200418.db2.gz DNCQRXTVPGGRCV-FBIMIBRVSA-N -1 3 390.473 0.417 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573482678 946200450 /nfs/dbraw/zinc/20/04/50/946200450.db2.gz ZTQLLJYXMCCZQZ-IUCAKERBSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573482678 946200451 /nfs/dbraw/zinc/20/04/51/946200451.db2.gz ZTQLLJYXMCCZQZ-IUCAKERBSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482614 946200764 /nfs/dbraw/zinc/20/07/64/946200764.db2.gz YRGPQYNZEOCVEL-JTQLQIEISA-N -1 3 375.408 0.078 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573482614 946200776 /nfs/dbraw/zinc/20/07/76/946200776.db2.gz YRGPQYNZEOCVEL-JTQLQIEISA-N -1 3 375.408 0.078 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573482862 946204351 /nfs/dbraw/zinc/20/43/51/946204351.db2.gz AXMSRMQPAFUACK-LSJOCFKGSA-N -1 3 378.462 0.463 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573483397 946208154 /nfs/dbraw/zinc/20/81/54/946208154.db2.gz FWNJKZSQGHNMPI-JSGCOSHPSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573483397 946208168 /nfs/dbraw/zinc/20/81/68/946208168.db2.gz FWNJKZSQGHNMPI-JSGCOSHPSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573483364 946208758 /nfs/dbraw/zinc/20/87/58/946208758.db2.gz FCFASVKXLFBCRR-CMPLNLGQSA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573483972 946211035 /nfs/dbraw/zinc/21/10/35/946211035.db2.gz IGADNLMXESWWNW-MBNYWOFBSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573483972 946211046 /nfs/dbraw/zinc/21/10/46/946211046.db2.gz IGADNLMXESWWNW-MBNYWOFBSA-N -1 3 386.460 0.365 20 0 GCADHM NC(=O)c1ccc(CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822885644 946212175 /nfs/dbraw/zinc/21/21/75/946212175.db2.gz QYVWUYALKDFBCN-INIZCTEOSA-N -1 3 392.423 0.646 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573483700 946212571 /nfs/dbraw/zinc/21/25/71/946212571.db2.gz GYQZLTVMRDODCL-PEXQALLHSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573483700 946212573 /nfs/dbraw/zinc/21/25/73/946212573.db2.gz GYQZLTVMRDODCL-PEXQALLHSA-N -1 3 392.851 0.746 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)s1 ZINC001571298366 946214563 /nfs/dbraw/zinc/21/45/63/946214563.db2.gz FOECTALQXCHQPE-UHFFFAOYSA-N -1 3 390.450 0.661 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)s1 ZINC001571298366 946214572 /nfs/dbraw/zinc/21/45/72/946214572.db2.gz FOECTALQXCHQPE-UHFFFAOYSA-N -1 3 390.450 0.661 20 0 GCADHM Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1-c1nnn[n-]1 ZINC001571298416 946216220 /nfs/dbraw/zinc/21/62/20/946216220.db2.gz NJVVQNGDLWYMJY-AXFHLTTASA-N -1 3 390.473 0.546 20 0 GCADHM O=C(NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001571298430 946216253 /nfs/dbraw/zinc/21/62/53/946216253.db2.gz NTJHDYVRIKHQHC-VZJVUDMVSA-N -1 3 390.469 0.280 20 0 GCADHM Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1-c1nnn[n-]1 ZINC001571298417 946216285 /nfs/dbraw/zinc/21/62/85/946216285.db2.gz NJVVQNGDLWYMJY-MXWKQRLJSA-N -1 3 390.473 0.546 20 0 GCADHM Cc1nsc(NCC2CC(NC(=O)[C@H]3CCC(=O)N3C)C2)c1-c1nnn[n-]1 ZINC001571298422 946216636 /nfs/dbraw/zinc/21/66/36/946216636.db2.gz NORHMYDDHWNWAX-VQXHTEKXSA-N -1 3 390.473 0.559 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573484565 946218114 /nfs/dbraw/zinc/21/81/14/946218114.db2.gz MNADKCIEYUQHEN-OWYVNGRQSA-N -1 3 390.423 0.765 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573484565 946218127 /nfs/dbraw/zinc/21/81/27/946218127.db2.gz MNADKCIEYUQHEN-OWYVNGRQSA-N -1 3 390.423 0.765 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573484411 946218149 /nfs/dbraw/zinc/21/81/49/946218149.db2.gz KXZBDIZYDFRUSO-PTOFAABTSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573484411 946218162 /nfs/dbraw/zinc/21/81/62/946218162.db2.gz KXZBDIZYDFRUSO-PTOFAABTSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1F ZINC001573485013 946220376 /nfs/dbraw/zinc/22/03/76/946220376.db2.gz PENNRKMRLZMRIH-GFCLTOETSA-N -1 3 388.407 0.151 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1F ZINC001573485013 946220381 /nfs/dbraw/zinc/22/03/81/946220381.db2.gz PENNRKMRLZMRIH-GFCLTOETSA-N -1 3 388.407 0.151 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573485392 946224365 /nfs/dbraw/zinc/22/43/65/946224365.db2.gz RVGOGIPJYZRARY-NWDGAFQWSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573485392 946224377 /nfs/dbraw/zinc/22/43/77/946224377.db2.gz RVGOGIPJYZRARY-NWDGAFQWSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCN(Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573485339 946224426 /nfs/dbraw/zinc/22/44/26/946224426.db2.gz QRCNQMPLLSHHEU-LLVKDONJSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1C ZINC001573485534 946229415 /nfs/dbraw/zinc/22/94/15/946229415.db2.gz UWEALYFDWRBNOH-SCDSUCTJSA-N -1 3 386.460 0.283 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1C ZINC001573485534 946229425 /nfs/dbraw/zinc/22/94/25/946229425.db2.gz UWEALYFDWRBNOH-SCDSUCTJSA-N -1 3 386.460 0.283 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573485629 946230164 /nfs/dbraw/zinc/23/01/64/946230164.db2.gz WVPBXLIXLVNWAU-NILFDRSVSA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573485629 946230180 /nfs/dbraw/zinc/23/01/80/946230180.db2.gz WVPBXLIXLVNWAU-NILFDRSVSA-N -1 3 386.460 0.934 20 0 GCADHM CN(C(=O)c1cc(Cl)no1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571298973 946235778 /nfs/dbraw/zinc/23/57/78/946235778.db2.gz GKQJVVMMHZENLQ-QMMMGPOBSA-N -1 3 390.791 0.823 20 0 GCADHM CN(C(=O)c1cc(Cl)no1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571298973 946235789 /nfs/dbraw/zinc/23/57/89/946235789.db2.gz GKQJVVMMHZENLQ-QMMMGPOBSA-N -1 3 390.791 0.823 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](O)[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001571299064 946237255 /nfs/dbraw/zinc/23/72/55/946237255.db2.gz UEOTVBQBTRGXLW-GWCFXTLKSA-N -1 3 390.469 0.676 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573486939 946246343 /nfs/dbraw/zinc/24/63/43/946246343.db2.gz JJZOUBDXYNJUPN-HYKPAMGXSA-N -1 3 389.485 0.674 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ncccc1-c1nnn[n-]1)C2 ZINC001573487420 946251557 /nfs/dbraw/zinc/25/15/57/946251557.db2.gz NVQLGNCXCFNHSW-FNFWKMNBSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ncccc1-c1nn[n-]n1)C2 ZINC001573487420 946251568 /nfs/dbraw/zinc/25/15/68/946251568.db2.gz NVQLGNCXCFNHSW-FNFWKMNBSA-N -1 3 384.444 0.261 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001571299565 946254582 /nfs/dbraw/zinc/25/45/82/946254582.db2.gz XHHOPTAWYYMHAC-UHFFFAOYSA-N -1 3 390.469 0.815 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001571299565 946254587 /nfs/dbraw/zinc/25/45/87/946254587.db2.gz XHHOPTAWYYMHAC-UHFFFAOYSA-N -1 3 390.469 0.815 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571299643 946256788 /nfs/dbraw/zinc/25/67/88/946256788.db2.gz OCSIMQSMZJESKU-CMPLNLGQSA-N -1 3 390.835 0.231 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571299643 946256798 /nfs/dbraw/zinc/25/67/98/946256798.db2.gz OCSIMQSMZJESKU-CMPLNLGQSA-N -1 3 390.835 0.231 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573488092 946265030 /nfs/dbraw/zinc/26/50/30/946265030.db2.gz XYAALZPCUZOVLT-RCCPXBDUSA-N -1 3 387.419 0.756 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573488092 946265041 /nfs/dbraw/zinc/26/50/41/946265041.db2.gz XYAALZPCUZOVLT-RCCPXBDUSA-N -1 3 387.419 0.756 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488824 946276362 /nfs/dbraw/zinc/27/63/62/946276362.db2.gz NBIJSAFZUQKOLH-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488824 946276373 /nfs/dbraw/zinc/27/63/73/946276373.db2.gz NBIJSAFZUQKOLH-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCCC1 ZINC001573488850 946276905 /nfs/dbraw/zinc/27/69/05/946276905.db2.gz OBNKSLQYGXEJMR-HDJSIYSDSA-N -1 3 384.444 0.770 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCCC1 ZINC001573488850 946276917 /nfs/dbraw/zinc/27/69/17/946276917.db2.gz OBNKSLQYGXEJMR-HDJSIYSDSA-N -1 3 384.444 0.770 20 0 GCADHM CC(=O)NC1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CC2)CCCC1 ZINC001573488839 946278066 /nfs/dbraw/zinc/27/80/66/946278066.db2.gz NMSWJNFHYUYFCW-UHFFFAOYSA-N -1 3 384.444 0.771 20 0 GCADHM CC(=O)NC1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CC2)CCCC1 ZINC001573488839 946278079 /nfs/dbraw/zinc/27/80/79/946278079.db2.gz NMSWJNFHYUYFCW-UHFFFAOYSA-N -1 3 384.444 0.771 20 0 GCADHM Cc1nn(C)c(N2CCN(C(=O)c3cc(Cl)n(C)n3)CC2)c1-c1nnn[n-]1 ZINC001571300235 946279079 /nfs/dbraw/zinc/27/90/79/946279079.db2.gz XPFCZHXETWHSQN-UHFFFAOYSA-N -1 3 390.839 0.258 20 0 GCADHM Cc1nn(C)c(N2CCN(C(=O)c3cc(Cl)n(C)n3)CC2)c1-c1nn[n-]n1 ZINC001571300235 946279092 /nfs/dbraw/zinc/27/90/92/946279092.db2.gz XPFCZHXETWHSQN-UHFFFAOYSA-N -1 3 390.839 0.258 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573488922 946279229 /nfs/dbraw/zinc/27/92/29/946279229.db2.gz PZKBNICSHQMTRY-LBPRGKRZSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573488922 946279241 /nfs/dbraw/zinc/27/92/41/946279241.db2.gz PZKBNICSHQMTRY-LBPRGKRZSA-N -1 3 386.460 0.969 20 0 GCADHM O=C(NCC1CCN(C(=O)[C@@]2(F)CCOC2)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571301824 946285439 /nfs/dbraw/zinc/28/54/39/946285439.db2.gz FAIHQKBWHBFXFE-QGZVFWFLSA-N -1 3 391.407 0.292 20 0 GCADHM O=C(NCC1CCN(C(=O)[C@@]2(F)CCOC2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571301824 946285454 /nfs/dbraw/zinc/28/54/54/946285454.db2.gz FAIHQKBWHBFXFE-QGZVFWFLSA-N -1 3 391.407 0.292 20 0 GCADHM O=C([C@H]1COCCO1)N1CCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571301842 946286265 /nfs/dbraw/zinc/28/62/65/946286265.db2.gz FLNWZMKSJZOEBI-GXTWGEPZSA-N -1 3 391.407 0.609 20 0 GCADHM O=C([C@H]1COCCO1)N1CCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571301842 946286273 /nfs/dbraw/zinc/28/62/73/946286273.db2.gz FLNWZMKSJZOEBI-GXTWGEPZSA-N -1 3 391.407 0.609 20 0 GCADHM O=C(NCC1CCN(C(=O)[C@]2(F)CCOC2)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571301823 946286289 /nfs/dbraw/zinc/28/62/89/946286289.db2.gz FAIHQKBWHBFXFE-KRWDZBQOSA-N -1 3 391.407 0.292 20 0 GCADHM O=C(NCC1CCN(C(=O)[C@]2(F)CCOC2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571301823 946286297 /nfs/dbraw/zinc/28/62/97/946286297.db2.gz FAIHQKBWHBFXFE-KRWDZBQOSA-N -1 3 391.407 0.292 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C(F)F ZINC001571301944 946288509 /nfs/dbraw/zinc/28/85/09/946288509.db2.gz ITCYZKAYKBNXGS-QMMMGPOBSA-N -1 3 391.342 0.431 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C(F)F ZINC001571301944 946288515 /nfs/dbraw/zinc/28/85/15/946288515.db2.gz ITCYZKAYKBNXGS-QMMMGPOBSA-N -1 3 391.342 0.431 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2)[C@@H]1CC1(F)F ZINC001571301977 946288664 /nfs/dbraw/zinc/28/86/64/946288664.db2.gz KLDRWVQCQPOCOY-PUTJDCORSA-N -1 3 391.382 0.961 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2)[C@@H]1CC1(F)F ZINC001571301977 946288674 /nfs/dbraw/zinc/28/86/74/946288674.db2.gz KLDRWVQCQPOCOY-PUTJDCORSA-N -1 3 391.382 0.961 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)F ZINC001571302003 946289319 /nfs/dbraw/zinc/28/93/19/946289319.db2.gz LEAHYIAQIFPTDC-WJZNIJOASA-N -1 3 391.382 0.769 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)F ZINC001571302003 946289328 /nfs/dbraw/zinc/28/93/28/946289328.db2.gz LEAHYIAQIFPTDC-WJZNIJOASA-N -1 3 391.382 0.769 20 0 GCADHM CC(C)n1cc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(=O)[nH]c1=O ZINC001571302051 946289492 /nfs/dbraw/zinc/28/94/92/946289492.db2.gz MRQRYLJWSMOVOL-UHFFFAOYSA-N -1 3 391.338 0.918 20 0 GCADHM CC(C)n1cc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(=O)[nH]c1=O ZINC001571302051 946289498 /nfs/dbraw/zinc/28/94/98/946289498.db2.gz MRQRYLJWSMOVOL-UHFFFAOYSA-N -1 3 391.338 0.918 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)C1CCOCC1 ZINC001571302014 946289995 /nfs/dbraw/zinc/28/99/95/946289995.db2.gz LSFFFMJRJFSBIF-CYBMUJFWSA-N -1 3 391.407 0.149 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)C1CCOCC1 ZINC001571302014 946290008 /nfs/dbraw/zinc/29/00/08/946290008.db2.gz LSFFFMJRJFSBIF-CYBMUJFWSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571302096 946292013 /nfs/dbraw/zinc/29/20/13/946292013.db2.gz OLFGJGDIDDMEOG-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571302096 946292026 /nfs/dbraw/zinc/29/20/26/946292026.db2.gz OLFGJGDIDDMEOG-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)C2(F)CCOCC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571302153 946294312 /nfs/dbraw/zinc/29/43/12/946294312.db2.gz PTZKLCAEHIPCJS-GFCCVEGCSA-N -1 3 391.407 0.434 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)C2(F)CCOCC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571302153 946294320 /nfs/dbraw/zinc/29/43/20/946294320.db2.gz PTZKLCAEHIPCJS-GFCCVEGCSA-N -1 3 391.407 0.434 20 0 GCADHM O=C(CC1OCCCO1)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571302184 946294381 /nfs/dbraw/zinc/29/43/81/946294381.db2.gz QMZVVVYZORVUCE-LLVKDONJSA-N -1 3 391.407 0.814 20 0 GCADHM O=C(CC1OCCCO1)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571302184 946294393 /nfs/dbraw/zinc/29/43/93/946294393.db2.gz QMZVVVYZORVUCE-LLVKDONJSA-N -1 3 391.407 0.814 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)C2(F)CCOCC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571302154 946294482 /nfs/dbraw/zinc/29/44/82/946294482.db2.gz PTZKLCAEHIPCJS-LBPRGKRZSA-N -1 3 391.407 0.434 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)C2(F)CCOCC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571302154 946294490 /nfs/dbraw/zinc/29/44/90/946294490.db2.gz PTZKLCAEHIPCJS-LBPRGKRZSA-N -1 3 391.407 0.434 20 0 GCADHM C[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CN1C(=O)CC1OCCCO1 ZINC001571302166 946295695 /nfs/dbraw/zinc/29/56/95/946295695.db2.gz QEXZENPDKAHEBD-JQWIXIFHSA-N -1 3 391.407 0.955 20 0 GCADHM C[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CN1C(=O)CC1OCCCO1 ZINC001571302166 946295701 /nfs/dbraw/zinc/29/57/01/946295701.db2.gz QEXZENPDKAHEBD-JQWIXIFHSA-N -1 3 391.407 0.955 20 0 GCADHM C[C@@H]1NC(C(=O)NCc2cncc(-c3nnn[n-]3)c2)=NN(c2ccccc2)C1=O ZINC001571302223 946298393 /nfs/dbraw/zinc/29/83/93/946298393.db2.gz RSSKLXDGPGEQAK-NSHDSACASA-N -1 3 391.395 0.216 20 0 GCADHM C[C@@H]1NC(C(=O)NCc2cncc(-c3nn[n-]n3)c2)=NN(c2ccccc2)C1=O ZINC001571302223 946298405 /nfs/dbraw/zinc/29/84/05/946298405.db2.gz RSSKLXDGPGEQAK-NSHDSACASA-N -1 3 391.395 0.216 20 0 GCADHM CC(F)(F)C(=O)N1CCN(C2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001571302309 946300537 /nfs/dbraw/zinc/30/05/37/946300537.db2.gz UNPRLDXNHGQHTC-UHFFFAOYSA-N -1 3 391.426 0.850 20 0 GCADHM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001571302447 946302492 /nfs/dbraw/zinc/30/24/92/946302492.db2.gz YANDRZMDJWXGHO-LBPRGKRZSA-N -1 3 391.384 0.300 20 0 GCADHM COC(=O)[C@H](CCC1OCCO1)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001571302447 946302502 /nfs/dbraw/zinc/30/25/02/946302502.db2.gz YANDRZMDJWXGHO-LBPRGKRZSA-N -1 3 391.384 0.300 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1ccc(C(F)F)o1 ZINC001571302515 946305681 /nfs/dbraw/zinc/30/56/81/946305681.db2.gz ZWTRQUHUWIYKBW-NXEZZACHSA-N -1 3 391.338 0.772 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1ccc(C(F)F)o1 ZINC001571302515 946305691 /nfs/dbraw/zinc/30/56/91/946305691.db2.gz ZWTRQUHUWIYKBW-NXEZZACHSA-N -1 3 391.338 0.772 20 0 GCADHM O=C([C@@H]1CCCCO1)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571302494 946305787 /nfs/dbraw/zinc/30/57/87/946305787.db2.gz ZEDSXYWYKMKFQO-OCCSQVGLSA-N -1 3 391.407 0.609 20 0 GCADHM O=C([C@@H]1CCCCO1)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571302494 946305796 /nfs/dbraw/zinc/30/57/96/946305796.db2.gz ZEDSXYWYKMKFQO-OCCSQVGLSA-N -1 3 391.407 0.609 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccn(C(F)F)n2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571302516 946305882 /nfs/dbraw/zinc/30/58/82/946305882.db2.gz ZXDHEUIMTUWSHY-VIFPVBQESA-N -1 3 391.342 0.431 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccn(C(F)F)n2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571302516 946305894 /nfs/dbraw/zinc/30/58/94/946305894.db2.gz ZXDHEUIMTUWSHY-VIFPVBQESA-N -1 3 391.342 0.431 20 0 GCADHM O=C([C@H]1CCc2ncncc2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571302581 946308030 /nfs/dbraw/zinc/30/80/30/946308030.db2.gz BZRYNUBYQFBKAF-WFASDCNBSA-N -1 3 391.439 0.870 20 0 GCADHM O=C([C@H]1CCc2ncncc2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571302581 946308042 /nfs/dbraw/zinc/30/80/42/946308042.db2.gz BZRYNUBYQFBKAF-WFASDCNBSA-N -1 3 391.439 0.870 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2ncncc2C1 ZINC001571302605 946308728 /nfs/dbraw/zinc/30/87/28/946308728.db2.gz CPVVDRPPCCMVTE-WFASDCNBSA-N -1 3 391.439 0.552 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2ncncc2C1 ZINC001571302605 946308736 /nfs/dbraw/zinc/30/87/36/946308736.db2.gz CPVVDRPPCCMVTE-WFASDCNBSA-N -1 3 391.439 0.552 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)[C@H]1CCc2c[nH]nc2C1 ZINC001571302834 946315737 /nfs/dbraw/zinc/31/57/37/946315737.db2.gz HCSLVOTZXVHASH-IHQJAULKSA-N -1 3 391.439 0.341 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)[C@H]1CCc2c[nH]nc2C1 ZINC001571302834 946315750 /nfs/dbraw/zinc/31/57/50/946315750.db2.gz HCSLVOTZXVHASH-IHQJAULKSA-N -1 3 391.439 0.341 20 0 GCADHM CC(=O)N[C@H]1CC2(CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)n2ccnc21 ZINC001573496385 946324749 /nfs/dbraw/zinc/32/47/49/946324749.db2.gz ZHIXWUUPGSSDBM-HNNXBMFYSA-N -1 3 382.403 0.994 20 0 GCADHM CC(=O)N[C@H]1CC2(CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)n2ccnc21 ZINC001573496385 946324763 /nfs/dbraw/zinc/32/47/63/946324763.db2.gz ZHIXWUUPGSSDBM-HNNXBMFYSA-N -1 3 382.403 0.994 20 0 GCADHM Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)cn2)c(C2CC2)n1 ZINC001571303236 946328847 /nfs/dbraw/zinc/32/88/47/946328847.db2.gz MKLVTCJMECQNGN-KBPBESRZSA-N -1 3 391.439 0.976 20 0 GCADHM Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)cn2)c(C2CC2)n1 ZINC001571303236 946328858 /nfs/dbraw/zinc/32/88/58/946328858.db2.gz MKLVTCJMECQNGN-KBPBESRZSA-N -1 3 391.439 0.976 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)C1Cc2ccccc2C1 ZINC001571303344 946335028 /nfs/dbraw/zinc/33/50/28/946335028.db2.gz KULLZTWKYVPADP-SJORKVTESA-N -1 3 391.435 0.342 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)C1Cc2ccccc2C1 ZINC001571303344 946335038 /nfs/dbraw/zinc/33/50/38/946335038.db2.gz KULLZTWKYVPADP-SJORKVTESA-N -1 3 391.435 0.342 20 0 GCADHM CC(=O)NC1CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001573496961 946336569 /nfs/dbraw/zinc/33/65/69/946336569.db2.gz IEQAQPMYLAYUKY-UHFFFAOYSA-N -1 3 382.421 0.436 20 0 GCADHM CC(=O)NC1CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001573496961 946336582 /nfs/dbraw/zinc/33/65/82/946336582.db2.gz IEQAQPMYLAYUKY-UHFFFAOYSA-N -1 3 382.421 0.436 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCN1c1ncccn1 ZINC000823201138 946341438 /nfs/dbraw/zinc/34/14/38/946341438.db2.gz ANPYNWHGJCAQFT-CYBMUJFWSA-N -1 3 380.416 0.249 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCN1c1ncccn1 ZINC000823201138 946341451 /nfs/dbraw/zinc/34/14/51/946341451.db2.gz ANPYNWHGJCAQFT-CYBMUJFWSA-N -1 3 380.416 0.249 20 0 GCADHM CC(=O)N[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC001573497214 946345090 /nfs/dbraw/zinc/34/50/90/946345090.db2.gz NVOXIVLQRXUXQC-CYBMUJFWSA-N -1 3 385.428 0.713 20 0 GCADHM CC(=O)N[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC001573497214 946345100 /nfs/dbraw/zinc/34/51/00/946345100.db2.gz NVOXIVLQRXUXQC-CYBMUJFWSA-N -1 3 385.428 0.713 20 0 GCADHM Cc1nsc(N2C[C@@H](NC(=O)Cc3ccsc3)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571305568 946367944 /nfs/dbraw/zinc/36/79/44/946367944.db2.gz FMQNWJSOMXISPV-MNOVXSKESA-N -1 3 391.482 0.602 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573499910 946371400 /nfs/dbraw/zinc/37/14/00/946371400.db2.gz HEDJIUIYCZNSDQ-CQSZACIVSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573499910 946371410 /nfs/dbraw/zinc/37/14/10/946371410.db2.gz HEDJIUIYCZNSDQ-CQSZACIVSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N(CCN(C)Cc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573500500 946374431 /nfs/dbraw/zinc/37/44/31/946374431.db2.gz KYDMPXCHDYIXTN-UHFFFAOYSA-N -1 3 391.451 0.811 20 0 GCADHM CC(=O)NCC(=O)N(CCN(C)Cc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573500500 946374442 /nfs/dbraw/zinc/37/44/42/946374442.db2.gz KYDMPXCHDYIXTN-UHFFFAOYSA-N -1 3 391.451 0.811 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C(C)(C)C1 ZINC001573500424 946375706 /nfs/dbraw/zinc/37/57/06/946375706.db2.gz JPNLJTBKTLBCHG-GFCCVEGCSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C(C)(C)C1 ZINC001573500424 946375722 /nfs/dbraw/zinc/37/57/22/946375722.db2.gz JPNLJTBKTLBCHG-GFCCVEGCSA-N -1 3 392.851 0.700 20 0 GCADHM Cc1nsc(N2CC[C@@H]3CN(C(=O)[C@H](O)C(C)C)C[C@@H]3C2)c1-c1nnn[n-]1 ZINC001571305871 946379406 /nfs/dbraw/zinc/37/94/06/946379406.db2.gz MMJIEMBHSXBYLL-MBNYWOFBSA-N -1 3 391.501 0.933 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571305902 946379737 /nfs/dbraw/zinc/37/97/37/946379737.db2.gz CYVGHNFSHFESTF-YTWAJWBKSA-N -1 3 391.457 0.747 20 0 GCADHM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573502835 946391494 /nfs/dbraw/zinc/39/14/94/946391494.db2.gz ZNMMHIHISAIIMZ-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573502835 946391503 /nfs/dbraw/zinc/39/15/03/946391503.db2.gz ZNMMHIHISAIIMZ-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(=O)N1CCC2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001573503566 946392677 /nfs/dbraw/zinc/39/26/77/946392677.db2.gz ABISGLPPGZVWBW-UHFFFAOYSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573503566 946392687 /nfs/dbraw/zinc/39/26/87/946392687.db2.gz ABISGLPPGZVWBW-UHFFFAOYSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573503652 946395956 /nfs/dbraw/zinc/39/59/56/946395956.db2.gz ATVXBPDKYHINCN-YGRLFVJLSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573503652 946395965 /nfs/dbraw/zinc/39/59/65/946395965.db2.gz ATVXBPDKYHINCN-YGRLFVJLSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573503648 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CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573506735 946436678 /nfs/dbraw/zinc/43/66/78/946436678.db2.gz SWMMCRNIBDLYPH-WFASDCNBSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573506715 946437185 /nfs/dbraw/zinc/43/71/85/946437185.db2.gz SCKXLYRTUOZITD-UHFFFAOYSA-N -1 3 378.824 0.454 20 0 GCADHM CC(=O)NCC(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573506715 946437193 /nfs/dbraw/zinc/43/71/93/946437193.db2.gz SCKXLYRTUOZITD-UHFFFAOYSA-N -1 3 378.824 0.454 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573507098 946443473 /nfs/dbraw/zinc/44/34/73/946443473.db2.gz WQMHCABOTJDFJQ-GASCZTMLSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573507098 946443478 /nfs/dbraw/zinc/44/34/78/946443478.db2.gz WQMHCABOTJDFJQ-GASCZTMLSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573507215 946445828 /nfs/dbraw/zinc/44/58/28/946445828.db2.gz XGYSQYFCAKBPQS-BETUJISGSA-N -1 3 389.485 0.630 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(-c2nn[n-]n2)s1 ZINC001573507215 946445834 /nfs/dbraw/zinc/44/58/34/946445834.db2.gz XGYSQYFCAKBPQS-BETUJISGSA-N -1 3 389.485 0.630 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2snc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573507455 946446055 /nfs/dbraw/zinc/44/60/55/946446055.db2.gz YAQJBEXGZZFGBF-JOYOIKCWSA-N -1 3 392.489 0.664 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000823566745 946447892 /nfs/dbraw/zinc/44/78/92/946447892.db2.gz LAJRWNTWKVNTDY-UHFFFAOYSA-N -1 3 389.441 0.502 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000823566745 946447899 /nfs/dbraw/zinc/44/78/99/946447899.db2.gz LAJRWNTWKVNTDY-UHFFFAOYSA-N -1 3 389.441 0.502 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CC[C@H]21 ZINC001573507709 946449473 /nfs/dbraw/zinc/44/94/73/946449473.db2.gz WZHZFQVYZHKWJE-LSDHHAIUSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CC[C@H]21 ZINC001573507709 946449484 /nfs/dbraw/zinc/44/94/84/946449484.db2.gz WZHZFQVYZHKWJE-LSDHHAIUSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573508234 946452196 /nfs/dbraw/zinc/45/21/96/946452196.db2.gz YTHAPGMDKGBITK-CABZTGNLSA-N -1 3 392.489 0.807 20 0 GCADHM O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823601071 946453585 /nfs/dbraw/zinc/45/35/85/946453585.db2.gz PNZKDKIARJNDKR-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823601071 946453593 /nfs/dbraw/zinc/45/35/93/946453593.db2.gz PNZKDKIARJNDKR-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM Cc1cccc(C(=O)N2CC3(C2)CCN(C(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)n1 ZINC001571309867 946455083 /nfs/dbraw/zinc/45/50/83/946455083.db2.gz NFNASWMYYMENLS-UHFFFAOYSA-N -1 3 392.423 0.887 20 0 GCADHM Cc1cccc(C(=O)N2CC3(C2)CCN(C(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)n1 ZINC001571309867 946455089 /nfs/dbraw/zinc/45/50/89/946455089.db2.gz NFNASWMYYMENLS-UHFFFAOYSA-N -1 3 392.423 0.887 20 0 GCADHM NC(=O)c1ccnc(C(=O)NC[C@@H]2CCN2Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001571309852 946456160 /nfs/dbraw/zinc/45/61/60/946456160.db2.gz MUWNYHKQCGHSEV-HNNXBMFYSA-N -1 3 392.423 0.365 20 0 GCADHM O=C(CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1ccccc1 ZINC001571309900 946457194 /nfs/dbraw/zinc/45/71/94/946457194.db2.gz PCCBRENOGIFHMD-GJZGRUSLSA-N -1 3 392.423 0.732 20 0 GCADHM O=C(CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1ccccc1 ZINC001571309900 946457197 /nfs/dbraw/zinc/45/71/97/946457197.db2.gz PCCBRENOGIFHMD-GJZGRUSLSA-N -1 3 392.423 0.732 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571309908 946458047 /nfs/dbraw/zinc/45/80/47/946458047.db2.gz PDUHZWDRBYHTSQ-HNNXBMFYSA-N -1 3 392.423 0.759 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571309908 946458056 /nfs/dbraw/zinc/45/80/56/946458056.db2.gz PDUHZWDRBYHTSQ-HNNXBMFYSA-N -1 3 392.423 0.759 20 0 GCADHM NC(=O)c1ccc(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001571310004 946458856 /nfs/dbraw/zinc/45/88/56/946458856.db2.gz RPYWEWJFAVYVJB-OAHLLOKOSA-N -1 3 392.423 0.365 20 0 GCADHM CNC(=O)c1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC001571310023 946459964 /nfs/dbraw/zinc/45/99/64/946459964.db2.gz SBZFCYYYOSBFLJ-HNNXBMFYSA-N -1 3 392.423 0.948 20 0 GCADHM CNC(=O)c1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC001571310023 946459970 /nfs/dbraw/zinc/45/99/70/946459970.db2.gz SBZFCYYYOSBFLJ-HNNXBMFYSA-N -1 3 392.423 0.948 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]21 ZINC001573509238 946460220 /nfs/dbraw/zinc/46/02/20/946460220.db2.gz IOXPHKAHRQIQDS-DZGCQCFKSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]21 ZINC001573509238 946460231 /nfs/dbraw/zinc/46/02/31/946460231.db2.gz IOXPHKAHRQIQDS-DZGCQCFKSA-N -1 3 384.444 0.133 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nnn[n-]2)ccc1=O ZINC001571310059 946461070 /nfs/dbraw/zinc/46/10/70/946461070.db2.gz UBYYUPLOPXJTDA-SNPRPXQTSA-N -1 3 392.423 0.500 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nn[n-]n2)ccc1=O ZINC001571310059 946461074 /nfs/dbraw/zinc/46/10/74/946461074.db2.gz UBYYUPLOPXJTDA-SNPRPXQTSA-N -1 3 392.423 0.500 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573509362 946461374 /nfs/dbraw/zinc/46/13/74/946461374.db2.gz KSOOXZJGONZXMN-LBPRGKRZSA-N -1 3 375.408 0.935 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573509362 946461383 /nfs/dbraw/zinc/46/13/83/946461383.db2.gz KSOOXZJGONZXMN-LBPRGKRZSA-N -1 3 375.408 0.935 20 0 GCADHM CC(=O)NCC(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573509508 946463389 /nfs/dbraw/zinc/46/33/89/946463389.db2.gz NIBQOHSLOVJLJO-UHFFFAOYSA-N -1 3 378.824 0.090 20 0 GCADHM CC(=O)NCC(=O)N1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573509508 946463396 /nfs/dbraw/zinc/46/33/96/946463396.db2.gz NIBQOHSLOVJLJO-UHFFFAOYSA-N -1 3 378.824 0.090 20 0 GCADHM NC(=O)c1ccc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571310129 946464301 /nfs/dbraw/zinc/46/43/01/946464301.db2.gz VZMCRSTUBSKDKK-OAHLLOKOSA-N -1 3 392.423 0.616 20 0 GCADHM NC(=O)c1ccc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571310129 946464308 /nfs/dbraw/zinc/46/43/08/946464308.db2.gz VZMCRSTUBSKDKK-OAHLLOKOSA-N -1 3 392.423 0.616 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)cc1=O ZINC001571310244 946465914 /nfs/dbraw/zinc/46/59/14/946465914.db2.gz ZJXBJKYKWYYTKS-QKDCVEJESA-N -1 3 392.423 0.073 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)cc1=O ZINC001571310244 946465919 /nfs/dbraw/zinc/46/59/19/946465919.db2.gz ZJXBJKYKWYYTKS-QKDCVEJESA-N -1 3 392.423 0.073 20 0 GCADHM CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573509797 946467302 /nfs/dbraw/zinc/46/73/02/946467302.db2.gz SBOZBJLGEUEZIY-QMTHXVAHSA-N -1 3 391.407 0.170 20 0 GCADHM CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573509797 946467308 /nfs/dbraw/zinc/46/73/08/946467308.db2.gz SBOZBJLGEUEZIY-QMTHXVAHSA-N -1 3 391.407 0.170 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573510086 946471090 /nfs/dbraw/zinc/47/10/90/946471090.db2.gz YNVRSHVXFWFZDX-GFCCVEGCSA-N -1 3 392.489 0.585 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CCCCC1 ZINC001573510345 946476161 /nfs/dbraw/zinc/47/61/61/946476161.db2.gz FRLPEUFMNDIRFD-INIZCTEOSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CCCCC1 ZINC001573510345 946476167 /nfs/dbraw/zinc/47/61/67/946476167.db2.gz FRLPEUFMNDIRFD-INIZCTEOSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573511038 946480875 /nfs/dbraw/zinc/48/08/75/946480875.db2.gz MBXMRFBSPPEDDE-GFCCVEGCSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573511038 946480881 /nfs/dbraw/zinc/48/08/81/946480881.db2.gz MBXMRFBSPPEDDE-GFCCVEGCSA-N -1 3 378.824 0.358 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC001571311127 946482719 /nfs/dbraw/zinc/48/27/19/946482719.db2.gz RPUTYTWTYXPUJH-XJKSGUPXSA-N -1 3 392.441 0.355 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@]12CC(=O)N[C@H]1CCCC2 ZINC001571311127 946482722 /nfs/dbraw/zinc/48/27/22/946482722.db2.gz RPUTYTWTYXPUJH-XJKSGUPXSA-N -1 3 392.441 0.355 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573511637 946488935 /nfs/dbraw/zinc/48/89/35/946488935.db2.gz BZIZHDNIJDRUMD-ZYHUDNBSSA-N -1 3 376.396 0.234 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573511637 946488949 /nfs/dbraw/zinc/48/89/49/946488949.db2.gz BZIZHDNIJDRUMD-ZYHUDNBSSA-N -1 3 376.396 0.234 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573511635 946490073 /nfs/dbraw/zinc/49/00/73/946490073.db2.gz BZIZHDNIJDRUMD-JQWIXIFHSA-N -1 3 376.396 0.234 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573511635 946490077 /nfs/dbraw/zinc/49/00/77/946490077.db2.gz BZIZHDNIJDRUMD-JQWIXIFHSA-N -1 3 376.396 0.234 20 0 GCADHM CC(=O)NCC(=O)N[C@@](C)(CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573511860 946491689 /nfs/dbraw/zinc/49/16/89/946491689.db2.gz UHYUHDTZEDGCRS-KRWDZBQOSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@@](C)(CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573511860 946491698 /nfs/dbraw/zinc/49/16/98/946491698.db2.gz UHYUHDTZEDGCRS-KRWDZBQOSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573511970 946491999 /nfs/dbraw/zinc/49/19/99/946491999.db2.gz CMWIXOKSLHZCKS-SKDRFNHKSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573511970 946492004 /nfs/dbraw/zinc/49/20/04/946492004.db2.gz CMWIXOKSLHZCKS-SKDRFNHKSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2C1 ZINC001573512132 946493416 /nfs/dbraw/zinc/49/34/16/946493416.db2.gz UQPXMJCTSFFAOV-OLZOCXBDSA-N -1 3 387.419 0.427 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2C1 ZINC001573512132 946493420 /nfs/dbraw/zinc/49/34/20/946493420.db2.gz UQPXMJCTSFFAOV-OLZOCXBDSA-N -1 3 387.419 0.427 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573512249 946496321 /nfs/dbraw/zinc/49/63/21/946496321.db2.gz WXVNTIXQCKBRBU-BXUZGUMPSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573512249 946496330 /nfs/dbraw/zinc/49/63/30/946496330.db2.gz WXVNTIXQCKBRBU-BXUZGUMPSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N[C@@]12CCC[C@H]1N(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC001573512461 946497888 /nfs/dbraw/zinc/49/78/88/946497888.db2.gz GFVLXCUNBGAKEQ-RDTXWAMCSA-N -1 3 387.419 0.760 20 0 GCADHM CC(=O)NCC(=O)N[C@@]12CCC[C@H]1N(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC001573512461 946497894 /nfs/dbraw/zinc/49/78/94/946497894.db2.gz GFVLXCUNBGAKEQ-RDTXWAMCSA-N -1 3 387.419 0.760 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512568 946501259 /nfs/dbraw/zinc/50/12/59/946501259.db2.gz YIGZPPNOEFPISX-AAEUAGOBSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512568 946501269 /nfs/dbraw/zinc/50/12/69/946501269.db2.gz YIGZPPNOEFPISX-AAEUAGOBSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573512660 946502643 /nfs/dbraw/zinc/50/26/43/946502643.db2.gz ZDTTVDPFYUTFJD-BXUZGUMPSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573512660 946502650 /nfs/dbraw/zinc/50/26/50/946502650.db2.gz ZDTTVDPFYUTFJD-BXUZGUMPSA-N -1 3 386.460 0.603 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1Cc2ccncc2C1 ZINC001571312887 946505100 /nfs/dbraw/zinc/50/51/00/946505100.db2.gz LQRRILZLTCYSEG-WFASDCNBSA-N -1 3 392.423 0.336 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1Cc2ccncc2C1 ZINC001571312887 946505111 /nfs/dbraw/zinc/50/51/11/946505111.db2.gz LQRRILZLTCYSEG-WFASDCNBSA-N -1 3 392.423 0.336 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573513188 946508695 /nfs/dbraw/zinc/50/86/95/946508695.db2.gz LMWUEJOULJYREP-ZFWWWQNUSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573513188 946508701 /nfs/dbraw/zinc/50/87/01/946508701.db2.gz LMWUEJOULJYREP-ZFWWWQNUSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573513290 946511427 /nfs/dbraw/zinc/51/14/27/946511427.db2.gz MIEJFAGEOMHKRV-FZMZJTMJSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573513692 946513994 /nfs/dbraw/zinc/51/39/94/946513994.db2.gz PDVDKFFCBPVXIE-YHWZYXNKSA-N -1 3 387.419 0.758 20 0 GCADHM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573513692 946513997 /nfs/dbraw/zinc/51/39/97/946513997.db2.gz PDVDKFFCBPVXIE-YHWZYXNKSA-N -1 3 387.419 0.758 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573513775 946515982 /nfs/dbraw/zinc/51/59/82/946515982.db2.gz QDXRQARMMITTMG-NEPJUHHUSA-N -1 3 376.396 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573513775 946515991 /nfs/dbraw/zinc/51/59/91/946515991.db2.gz QDXRQARMMITTMG-NEPJUHHUSA-N -1 3 376.396 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)c(C)n1)C2 ZINC001573513886 946516059 /nfs/dbraw/zinc/51/60/59/946516059.db2.gz QQOPLTKJEFORRO-MJBXVCDLSA-N -1 3 384.444 0.180 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)c(C)n1)C2 ZINC001573513886 946516063 /nfs/dbraw/zinc/51/60/63/946516063.db2.gz QQOPLTKJEFORRO-MJBXVCDLSA-N -1 3 384.444 0.180 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571313338 946518388 /nfs/dbraw/zinc/51/83/88/946518388.db2.gz PZPSGQNWIIHITB-RFQIPJPRSA-N -1 3 392.423 0.771 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571313338 946518395 /nfs/dbraw/zinc/51/83/95/946518395.db2.gz PZPSGQNWIIHITB-RFQIPJPRSA-N -1 3 392.423 0.771 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573514402 946527538 /nfs/dbraw/zinc/52/75/38/946527538.db2.gz YNIILVOTVKLSGJ-GHMZBOCLSA-N -1 3 378.462 0.607 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573514403 946527673 /nfs/dbraw/zinc/52/76/73/946527673.db2.gz YNIILVOTVKLSGJ-MNOVXSKESA-N -1 3 378.462 0.607 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000823980363 946530012 /nfs/dbraw/zinc/53/00/12/946530012.db2.gz BONBRGOKTXPDPP-UHFFFAOYSA-N -1 3 383.416 0.007 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000823980363 946530027 /nfs/dbraw/zinc/53/00/27/946530027.db2.gz BONBRGOKTXPDPP-UHFFFAOYSA-N -1 3 383.416 0.007 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573514573 946530966 /nfs/dbraw/zinc/53/09/66/946530966.db2.gz AFTFVDHHNLJFTD-BXKDBHETSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573514573 946530982 /nfs/dbraw/zinc/53/09/82/946530982.db2.gz AFTFVDHHNLJFTD-BXKDBHETSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000823994482 946535245 /nfs/dbraw/zinc/53/52/45/946535245.db2.gz IZSFKNAKNMEMHT-NSHDSACASA-N -1 3 380.430 0.961 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000823994482 946535257 /nfs/dbraw/zinc/53/52/57/946535257.db2.gz IZSFKNAKNMEMHT-NSHDSACASA-N -1 3 380.430 0.961 20 0 GCADHM CC(=O)N[C@H]1CCCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000823989431 946535474 /nfs/dbraw/zinc/53/54/74/946535474.db2.gz XYXWDERRMMKZLO-DOTOQJQBSA-N -1 3 383.456 0.963 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573515202 946539661 /nfs/dbraw/zinc/53/96/61/946539661.db2.gz IYDMJGKIONKHOO-NSHDSACASA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573515202 946539671 /nfs/dbraw/zinc/53/96/71/946539671.db2.gz IYDMJGKIONKHOO-NSHDSACASA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1(C)C ZINC001573515639 946549213 /nfs/dbraw/zinc/54/92/13/946549213.db2.gz OEAYWFVAUGCTQA-OAHLLOKOSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H]1C ZINC001573515793 946551934 /nfs/dbraw/zinc/55/19/34/946551934.db2.gz RMNUIAGLLPYMSV-RNCFNFMXSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H]1C ZINC001573515793 946551938 /nfs/dbraw/zinc/55/19/38/946551938.db2.gz RMNUIAGLLPYMSV-RNCFNFMXSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573516975 946565556 /nfs/dbraw/zinc/56/55/56/946565556.db2.gz BFDVLFZGCIDJJZ-ZDUSSCGKSA-N -1 3 390.423 0.402 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573516975 946565561 /nfs/dbraw/zinc/56/55/61/946565561.db2.gz BFDVLFZGCIDJJZ-ZDUSSCGKSA-N -1 3 390.423 0.402 20 0 GCADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573517422 946572633 /nfs/dbraw/zinc/57/26/33/946572633.db2.gz JOKKIGDUUFERBX-KRWDZBQOSA-N -1 3 390.423 0.260 20 0 GCADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573517422 946572642 /nfs/dbraw/zinc/57/26/42/946572642.db2.gz JOKKIGDUUFERBX-KRWDZBQOSA-N -1 3 390.423 0.260 20 0 GCADHM O=C([C@@H]1CCc2cncn2C1)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571316561 946581659 /nfs/dbraw/zinc/58/16/59/946581659.db2.gz GIIBDFZOWGKSKQ-MRXNPFEDSA-N -1 3 392.467 0.970 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC001573517835 946581911 /nfs/dbraw/zinc/58/19/11/946581911.db2.gz SFUWTJZPPRXHOB-OAHLLOKOSA-N -1 3 380.412 0.667 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC001573517835 946581914 /nfs/dbraw/zinc/58/19/14/946581914.db2.gz SFUWTJZPPRXHOB-OAHLLOKOSA-N -1 3 380.412 0.667 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001573517857 946582207 /nfs/dbraw/zinc/58/22/07/946582207.db2.gz SUQPRPGPORWAIB-NSHDSACASA-N -1 3 378.462 0.243 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573518007 946584614 /nfs/dbraw/zinc/58/46/14/946584614.db2.gz VCZBMWNCJNGXCC-AWEZNQCLSA-N -1 3 386.460 0.571 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573518007 946584621 /nfs/dbraw/zinc/58/46/21/946584621.db2.gz VCZBMWNCJNGXCC-AWEZNQCLSA-N -1 3 386.460 0.571 20 0 GCADHM CC(C)(C)NC(=O)NC(=O)CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824093387 946585327 /nfs/dbraw/zinc/58/53/27/946585327.db2.gz GUXLACYLIYNMOH-AWEZNQCLSA-N -1 3 387.444 0.864 20 0 GCADHM CC(C)(C)NC(=O)NC(=O)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824093387 946585339 /nfs/dbraw/zinc/58/53/39/946585339.db2.gz GUXLACYLIYNMOH-AWEZNQCLSA-N -1 3 387.444 0.864 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573518026 946585436 /nfs/dbraw/zinc/58/54/36/946585436.db2.gz WDNQUBUGLIJQPK-GFCCVEGCSA-N -1 3 392.851 0.526 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573518026 946585445 /nfs/dbraw/zinc/58/54/45/946585445.db2.gz WDNQUBUGLIJQPK-GFCCVEGCSA-N -1 3 392.851 0.526 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573518102 946588370 /nfs/dbraw/zinc/58/83/70/946588370.db2.gz XNJUFTCTKNNDER-AWEZNQCLSA-N -1 3 389.435 0.613 20 0 GCADHM CC(=O)NCC(=O)NCCC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573520591 946597549 /nfs/dbraw/zinc/59/75/49/946597549.db2.gz LLBSFCHYQOPKTP-UHFFFAOYSA-N -1 3 390.423 0.260 20 0 GCADHM CC(=O)NCC(=O)NCCC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573520591 946597555 /nfs/dbraw/zinc/59/75/55/946597555.db2.gz LLBSFCHYQOPKTP-UHFFFAOYSA-N -1 3 390.423 0.260 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573520837 946601163 /nfs/dbraw/zinc/60/11/63/946601163.db2.gz NETGWFQUYUHLAU-HDJSIYSDSA-N -1 3 386.460 0.732 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573520837 946601167 /nfs/dbraw/zinc/60/11/67/946601167.db2.gz NETGWFQUYUHLAU-HDJSIYSDSA-N -1 3 386.460 0.732 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573520884 946601702 /nfs/dbraw/zinc/60/17/02/946601702.db2.gz OUCXMWWZQPICOT-GFCCVEGCSA-N -1 3 375.408 0.475 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573520884 946601707 /nfs/dbraw/zinc/60/17/07/946601707.db2.gz OUCXMWWZQPICOT-GFCCVEGCSA-N -1 3 375.408 0.475 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001573520880 946602161 /nfs/dbraw/zinc/60/21/61/946602161.db2.gz OPXHXMGSOCMDKD-BXKDBHETSA-N -1 3 392.489 0.346 20 0 GCADHM CC(=O)NCC(=O)NCCC1(CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573520849 946602414 /nfs/dbraw/zinc/60/24/14/946602414.db2.gz NUJCRXOMXBGHDC-UHFFFAOYSA-N -1 3 376.396 0.235 20 0 GCADHM CC(=O)NCC(=O)NCCC1(CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573520849 946602418 /nfs/dbraw/zinc/60/24/18/946602418.db2.gz NUJCRXOMXBGHDC-UHFFFAOYSA-N -1 3 376.396 0.235 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@@H]1CCCOC1 ZINC001571317335 946605813 /nfs/dbraw/zinc/60/58/13/946605813.db2.gz DGSFXMZQFCMGQR-CHWSQXEVSA-N -1 3 392.485 0.672 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@H]1CCCOC1 ZINC001571317337 946605858 /nfs/dbraw/zinc/60/58/58/946605858.db2.gz DGSFXMZQFCMGQR-QWHCGFSZSA-N -1 3 392.485 0.672 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573521282 946607192 /nfs/dbraw/zinc/60/71/92/946607192.db2.gz VIYHLDZOFXOXDV-CYBMUJFWSA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573521282 946607196 /nfs/dbraw/zinc/60/71/96/946607196.db2.gz VIYHLDZOFXOXDV-CYBMUJFWSA-N -1 3 378.412 0.480 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571317374 946608790 /nfs/dbraw/zinc/60/87/90/946608790.db2.gz FKRLODLKESGHKC-GXSJLCMTSA-N -1 3 392.807 0.061 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571317374 946608797 /nfs/dbraw/zinc/60/87/97/946608797.db2.gz FKRLODLKESGHKC-GXSJLCMTSA-N -1 3 392.807 0.061 20 0 GCADHM O=C(CN1CCOCC1)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571317419 946608968 /nfs/dbraw/zinc/60/89/68/946608968.db2.gz HGCQVHGZQLFHLM-TXEJJXNPSA-N -1 3 392.851 0.306 20 0 GCADHM O=C(CN1CCOCC1)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571317419 946608974 /nfs/dbraw/zinc/60/89/74/946608974.db2.gz HGCQVHGZQLFHLM-TXEJJXNPSA-N -1 3 392.851 0.306 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1csc(Cl)n1 ZINC001571317458 946610485 /nfs/dbraw/zinc/61/04/85/946610485.db2.gz IZMMUBVLTODGPJ-PSASIEDQSA-N -1 3 392.832 0.351 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1csc(Cl)n1 ZINC001571317458 946610491 /nfs/dbraw/zinc/61/04/91/946610491.db2.gz IZMMUBVLTODGPJ-PSASIEDQSA-N -1 3 392.832 0.351 20 0 GCADHM CN1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571317440 946611241 /nfs/dbraw/zinc/61/12/41/946611241.db2.gz HYTDFQRGEFFEEZ-DGCLKSJQSA-N -1 3 392.851 0.259 20 0 GCADHM CN1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571317440 946611243 /nfs/dbraw/zinc/61/12/43/946611243.db2.gz HYTDFQRGEFFEEZ-DGCLKSJQSA-N -1 3 392.851 0.259 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ncc(Cl)s2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571317639 946615201 /nfs/dbraw/zinc/61/52/01/946615201.db2.gz PCGXDMWTBVOIKM-MRVPVSSYSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ncc(Cl)s2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571317639 946615204 /nfs/dbraw/zinc/61/52/04/946615204.db2.gz PCGXDMWTBVOIKM-MRVPVSSYSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1scnc1Cl ZINC001571317700 946618542 /nfs/dbraw/zinc/61/85/42/946618542.db2.gz RNJQWHVHHBUFPU-MRVPVSSYSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1scnc1Cl ZINC001571317700 946618546 /nfs/dbraw/zinc/61/85/46/946618546.db2.gz RNJQWHVHHBUFPU-MRVPVSSYSA-N -1 3 392.832 0.949 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573521944 946618974 /nfs/dbraw/zinc/61/89/74/946618974.db2.gz PTTSQFYUOWPXQO-BMFZPTHFSA-N -1 3 387.419 0.363 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573522021 946620812 /nfs/dbraw/zinc/62/08/12/946620812.db2.gz VSEHHYJBCLOFRZ-CHWSQXEVSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573522021 946620819 /nfs/dbraw/zinc/62/08/19/946620819.db2.gz VSEHHYJBCLOFRZ-CHWSQXEVSA-N -1 3 375.408 0.981 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@H]1CCCCO1 ZINC001571317792 946620733 /nfs/dbraw/zinc/62/07/33/946620733.db2.gz VXOLUBSUJIXUHM-TZMCWYRMSA-N -1 3 392.485 0.814 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCNC(=O)N(C)C ZINC000824206592 946621654 /nfs/dbraw/zinc/62/16/54/946621654.db2.gz FPUMBKZQOKEGSJ-OAHLLOKOSA-N -1 3 389.460 1.000 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCNC(=O)N(C)C ZINC000824206592 946621658 /nfs/dbraw/zinc/62/16/58/946621658.db2.gz FPUMBKZQOKEGSJ-OAHLLOKOSA-N -1 3 389.460 1.000 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)c1csnn1 ZINC001571317784 946621673 /nfs/dbraw/zinc/62/16/73/946621673.db2.gz VSQKVSYMBABBJH-MWLCHTKSSA-N -1 3 392.470 0.145 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573522159 946621898 /nfs/dbraw/zinc/62/18/98/946621898.db2.gz BLSAKBOAUIIXNJ-NSHDSACASA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573522211 946622273 /nfs/dbraw/zinc/62/22/73/946622273.db2.gz CFCCPFUDZRMMPI-GFCCVEGCSA-N -1 3 391.501 0.781 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573522153 946623277 /nfs/dbraw/zinc/62/32/77/946623277.db2.gz BKUBKJRWLREORM-HNNXBMFYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573522153 946623282 /nfs/dbraw/zinc/62/32/82/946623282.db2.gz BKUBKJRWLREORM-HNNXBMFYSA-N -1 3 386.460 0.731 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCCOC1 ZINC001571317945 946624561 /nfs/dbraw/zinc/62/45/61/946624561.db2.gz ZTUSNWMUKZZNEI-CHWSQXEVSA-N -1 3 392.485 0.672 20 0 GCADHM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001571317840 946624700 /nfs/dbraw/zinc/62/47/00/946624700.db2.gz WVVWDAZDCHQXSG-TZMCWYRMSA-N -1 3 392.485 0.670 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573522371 946625076 /nfs/dbraw/zinc/62/50/76/946625076.db2.gz DOAUTPFSONDAMI-UHFFFAOYSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573522371 946625084 /nfs/dbraw/zinc/62/50/84/946625084.db2.gz DOAUTPFSONDAMI-UHFFFAOYSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573522423 946625233 /nfs/dbraw/zinc/62/52/33/946625233.db2.gz FMJYCTOVXNUZNK-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573522423 946625240 /nfs/dbraw/zinc/62/52/40/946625240.db2.gz FMJYCTOVXNUZNK-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573522741 946629747 /nfs/dbraw/zinc/62/97/47/946629747.db2.gz JMJCZCDWZJLVLD-JTQLQIEISA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573522741 946629755 /nfs/dbraw/zinc/62/97/55/946629755.db2.gz JMJCZCDWZJLVLD-JTQLQIEISA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573523222 946634737 /nfs/dbraw/zinc/63/47/37/946634737.db2.gz PTTSQFYUOWPXQO-KBMXLJTQSA-N -1 3 387.419 0.363 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573523983 946641027 /nfs/dbraw/zinc/64/10/27/946641027.db2.gz YYZGEKMSOOHGJW-LBPRGKRZSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573523983 946641035 /nfs/dbraw/zinc/64/10/35/946641035.db2.gz YYZGEKMSOOHGJW-LBPRGKRZSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573527558 946644212 /nfs/dbraw/zinc/64/42/12/946644212.db2.gz COMVNWZWIKOPQS-LLVKDONJSA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573527842 946648725 /nfs/dbraw/zinc/64/87/25/946648725.db2.gz JLEDFIRMWKLTFI-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573527842 946648732 /nfs/dbraw/zinc/64/87/32/946648732.db2.gz JLEDFIRMWKLTFI-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573527917 946651077 /nfs/dbraw/zinc/65/10/77/946651077.db2.gz LSQYGZFMCYCQCI-TXEJJXNPSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573527917 946651081 /nfs/dbraw/zinc/65/10/81/946651081.db2.gz LSQYGZFMCYCQCI-TXEJJXNPSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573527969 946652492 /nfs/dbraw/zinc/65/24/92/946652492.db2.gz NOXMRFTVHOONRM-VIFPVBQESA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573527969 946652496 /nfs/dbraw/zinc/65/24/96/946652496.db2.gz NOXMRFTVHOONRM-VIFPVBQESA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573528177 946657542 /nfs/dbraw/zinc/65/75/42/946657542.db2.gz XCQFRSAKIZVMBT-CQSZACIVSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573528177 946657551 /nfs/dbraw/zinc/65/75/51/946657551.db2.gz XCQFRSAKIZVMBT-CQSZACIVSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1C(F)(F)F ZINC001573529469 946675656 /nfs/dbraw/zinc/67/56/56/946675656.db2.gz MMAZYVHKYTXONN-VHSXEESVSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C(F)(F)F ZINC001573529469 946675661 /nfs/dbraw/zinc/67/56/61/946675661.db2.gz MMAZYVHKYTXONN-VHSXEESVSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CCO)C1(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000824406127 946685554 /nfs/dbraw/zinc/68/55/54/946685554.db2.gz DCYGNIRFPLLMFY-CYBMUJFWSA-N -1 3 386.456 0.902 20 0 GCADHM C[C@H](CCO)C1(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000824406127 946685561 /nfs/dbraw/zinc/68/55/61/946685561.db2.gz DCYGNIRFPLLMFY-CYBMUJFWSA-N -1 3 386.456 0.902 20 0 GCADHM C[C@H](C[S@](C)=O)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824449014 946711377 /nfs/dbraw/zinc/71/13/77/946711377.db2.gz MHGLGIAONZPZQX-LUGWNYHVSA-N -1 3 392.489 0.297 20 0 GCADHM C[C@H](C[S@](C)=O)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824449014 946711387 /nfs/dbraw/zinc/71/13/87/946711387.db2.gz MHGLGIAONZPZQX-LUGWNYHVSA-N -1 3 392.489 0.297 20 0 GCADHM CC(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC001573533629 946717005 /nfs/dbraw/zinc/71/70/05/946717005.db2.gz UYPUIPQTEFVDIM-UHFFFAOYSA-N -1 3 386.437 0.981 20 0 GCADHM CC(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001573533629 946717015 /nfs/dbraw/zinc/71/70/15/946717015.db2.gz UYPUIPQTEFVDIM-UHFFFAOYSA-N -1 3 386.437 0.981 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1)C(C)C ZINC001573535333 946723218 /nfs/dbraw/zinc/72/32/18/946723218.db2.gz CHWLQYMUYQTLJS-WCQYABFASA-N -1 3 392.489 0.487 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1)C(C)C ZINC001573535707 946724288 /nfs/dbraw/zinc/72/42/88/946724288.db2.gz GXEPKNIIAGHKQY-DVOMOZLQSA-N -1 3 386.460 0.790 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1)C(C)C ZINC001573535707 946724300 /nfs/dbraw/zinc/72/43/00/946724300.db2.gz GXEPKNIIAGHKQY-DVOMOZLQSA-N -1 3 386.460 0.790 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)cn1)C1CC1)C(C)C ZINC001573535855 946728282 /nfs/dbraw/zinc/72/82/82/946728282.db2.gz KYZPYCHKWAVRGR-MRXNPFEDSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)cn1)C1CC1)C(C)C ZINC001573535855 946728287 /nfs/dbraw/zinc/72/82/87/946728287.db2.gz KYZPYCHKWAVRGR-MRXNPFEDSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536615 946737986 /nfs/dbraw/zinc/73/79/86/946737986.db2.gz ZJEHNGCOEZQZMS-MRXNPFEDSA-N -1 3 391.451 0.715 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536615 946737993 /nfs/dbraw/zinc/73/79/93/946737993.db2.gz ZJEHNGCOEZQZMS-MRXNPFEDSA-N -1 3 391.451 0.715 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573536621 946738602 /nfs/dbraw/zinc/73/86/02/946738602.db2.gz ZKORRFXNWBFEKS-CZUORRHYSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573536621 946738612 /nfs/dbraw/zinc/73/86/12/946738612.db2.gz ZKORRFXNWBFEKS-CZUORRHYSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C1CC(Nc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537341 946744433 /nfs/dbraw/zinc/74/44/33/946744433.db2.gz KNECHZGSQGXOLU-SSDMNJCBSA-N -1 3 386.460 0.824 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C1CC(Nc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537341 946744441 /nfs/dbraw/zinc/74/44/41/946744441.db2.gz KNECHZGSQGXOLU-SSDMNJCBSA-N -1 3 386.460 0.824 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573537328 946745096 /nfs/dbraw/zinc/74/50/96/946745096.db2.gz JZJNTDVMSWPYIR-ZBCRRDGASA-N -1 3 386.460 0.824 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573537328 946745100 /nfs/dbraw/zinc/74/51/00/946745100.db2.gz JZJNTDVMSWPYIR-ZBCRRDGASA-N -1 3 386.460 0.824 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1)C(C)C ZINC001573537318 946745245 /nfs/dbraw/zinc/74/52/45/946745245.db2.gz JMJQZEXCGHWYBK-OAHLLOKOSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1)C(C)C ZINC001573537318 946745249 /nfs/dbraw/zinc/74/52/49/946745249.db2.gz JMJQZEXCGHWYBK-OAHLLOKOSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001573537588 946752610 /nfs/dbraw/zinc/75/26/10/946752610.db2.gz GBRUOYAWLHMZEP-WFASDCNBSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001573537588 946752617 /nfs/dbraw/zinc/75/26/17/946752617.db2.gz GBRUOYAWLHMZEP-WFASDCNBSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1)C(C)C ZINC001573537866 946758834 /nfs/dbraw/zinc/75/88/34/946758834.db2.gz RKGOJKYKFKIPAA-DGCLKSJQSA-N -1 3 392.489 0.805 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001573538253 946764783 /nfs/dbraw/zinc/76/47/83/946764783.db2.gz QZWNHPTUJFMWQI-WFASDCNBSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001573538253 946764788 /nfs/dbraw/zinc/76/47/88/946764788.db2.gz QZWNHPTUJFMWQI-WFASDCNBSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573540641 946781176 /nfs/dbraw/zinc/78/11/76/946781176.db2.gz IWOZMRMRSVSEDX-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573540641 946781189 /nfs/dbraw/zinc/78/11/89/946781189.db2.gz IWOZMRMRSVSEDX-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573541019 946783297 /nfs/dbraw/zinc/78/32/97/946783297.db2.gz MALXBVZKMYEMNH-GFCCVEGCSA-N -1 3 377.474 0.946 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573541019 946783302 /nfs/dbraw/zinc/78/33/02/946783302.db2.gz MALXBVZKMYEMNH-GFCCVEGCSA-N -1 3 377.474 0.946 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573541609 946788303 /nfs/dbraw/zinc/78/83/03/946788303.db2.gz SZYXZMMXDRNHOC-MLGOLLRUSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573541609 946788309 /nfs/dbraw/zinc/78/83/09/946788309.db2.gz SZYXZMMXDRNHOC-MLGOLLRUSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC[C@@H](C)Nc2ncccc2-c2nnn[n-]2)ccn1 ZINC001573542180 946791922 /nfs/dbraw/zinc/79/19/22/946791922.db2.gz AMHGHLDJGCQEKT-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC[C@@H](C)Nc2ncccc2-c2nn[n-]n2)ccn1 ZINC001573542180 946791933 /nfs/dbraw/zinc/79/19/33/946791933.db2.gz AMHGHLDJGCQEKT-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cc(C(=O)NCCNc2nc(C)ccc2-c2nnn[n-]2)ccn1 ZINC001573542274 946795964 /nfs/dbraw/zinc/79/59/64/946795964.db2.gz FNEJNIDMTFMREF-UHFFFAOYSA-N -1 3 381.400 0.765 20 0 GCADHM CC(=O)Nc1cc(C(=O)NCCNc2nc(C)ccc2-c2nn[n-]n2)ccn1 ZINC001573542274 946795971 /nfs/dbraw/zinc/79/59/71/946795971.db2.gz FNEJNIDMTFMREF-UHFFFAOYSA-N -1 3 381.400 0.765 20 0 GCADHM CC(=O)Nc1c[nH]c(C)c1C(=O)NCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573542414 946797299 /nfs/dbraw/zinc/79/72/99/946797299.db2.gz IUGZCNOPRDOGDS-UHFFFAOYSA-N -1 3 387.379 0.838 20 0 GCADHM CC(=O)Nc1c[nH]c(C)c1C(=O)NCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573542414 946797306 /nfs/dbraw/zinc/79/73/06/946797306.db2.gz IUGZCNOPRDOGDS-UHFFFAOYSA-N -1 3 387.379 0.838 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573542676 946798296 /nfs/dbraw/zinc/79/82/96/946798296.db2.gz KUIDQHJQPAIZLD-MEDUHNTESA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573542676 946798306 /nfs/dbraw/zinc/79/83/06/946798306.db2.gz KUIDQHJQPAIZLD-MEDUHNTESA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)Nc1ccc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)cc1F ZINC001573547273 946830796 /nfs/dbraw/zinc/83/07/96/946830796.db2.gz HCSQULCAYUTMDS-UHFFFAOYSA-N -1 3 386.347 0.943 20 0 GCADHM CC(=O)Nc1ccc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)cc1F ZINC001573547273 946830800 /nfs/dbraw/zinc/83/08/00/946830800.db2.gz HCSQULCAYUTMDS-UHFFFAOYSA-N -1 3 386.347 0.943 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2ncccc2-c2nnn[n-]2)nc1 ZINC001573547303 946832765 /nfs/dbraw/zinc/83/27/65/946832765.db2.gz JENRPLOGIMASAI-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2ncccc2-c2nn[n-]n2)nc1 ZINC001573547303 946832775 /nfs/dbraw/zinc/83/27/75/946832775.db2.gz JENRPLOGIMASAI-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1nc(CN(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cs1 ZINC001573548389 946852622 /nfs/dbraw/zinc/85/26/22/946852622.db2.gz KDKXEHANDHPGQG-UHFFFAOYSA-N -1 3 389.445 0.472 20 0 GCADHM CC(=O)Nc1nc(CN(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cs1 ZINC001573548389 946852637 /nfs/dbraw/zinc/85/26/37/946852637.db2.gz KDKXEHANDHPGQG-UHFFFAOYSA-N -1 3 389.445 0.472 20 0 GCADHM CC(=O)Nc1cccc2c1CN(S(=O)(=O)c1cncc(-c3nnn[n-]3)c1)CC2 ZINC001573548777 946860153 /nfs/dbraw/zinc/86/01/53/946860153.db2.gz UTOOZKFVVLYNOE-UHFFFAOYSA-N -1 3 399.436 0.967 20 0 GCADHM CC(=O)Nc1cccc2c1CN(S(=O)(=O)c1cncc(-c3nn[n-]n3)c1)CC2 ZINC001573548777 946860162 /nfs/dbraw/zinc/86/01/62/946860162.db2.gz UTOOZKFVVLYNOE-UHFFFAOYSA-N -1 3 399.436 0.967 20 0 GCADHM CC(C)[C@@H]1CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640391 946881069 /nfs/dbraw/zinc/88/10/69/946881069.db2.gz HPJDHECEMNIBND-FZMZJTMJSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)[C@@H]1CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640391 946881084 /nfs/dbraw/zinc/88/10/84/946881084.db2.gz HPJDHECEMNIBND-FZMZJTMJSA-N -1 3 378.458 0.790 20 0 GCADHM CC1(C)C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C(=O)O1 ZINC000824790807 946934628 /nfs/dbraw/zinc/93/46/28/946934628.db2.gz RHUOXNGHOSKJTB-GFCCVEGCSA-N -1 3 382.384 0.459 20 0 GCADHM CC1(C)C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C(=O)O1 ZINC000824790807 946934635 /nfs/dbraw/zinc/93/46/35/946934635.db2.gz RHUOXNGHOSKJTB-GFCCVEGCSA-N -1 3 382.384 0.459 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824808785 946939227 /nfs/dbraw/zinc/93/92/27/946939227.db2.gz ZHZJCXOBERLERG-UHFFFAOYSA-N -1 3 390.469 0.888 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824808785 946939235 /nfs/dbraw/zinc/93/92/35/946939235.db2.gz ZHZJCXOBERLERG-UHFFFAOYSA-N -1 3 390.469 0.888 20 0 GCADHM C[C@@]1(C2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000824817559 946942867 /nfs/dbraw/zinc/94/28/67/946942867.db2.gz OVKKATBYGKPNOC-KRWDZBQOSA-N -1 3 381.400 0.329 20 0 GCADHM C[C@@]1(C2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000824817559 946942874 /nfs/dbraw/zinc/94/28/74/946942874.db2.gz OVKKATBYGKPNOC-KRWDZBQOSA-N -1 3 381.400 0.329 20 0 GCADHM C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1=O ZINC000824817664 946942997 /nfs/dbraw/zinc/94/29/97/946942997.db2.gz QACJFEQNMWUEOW-SFHVURJKSA-N -1 3 394.395 0.783 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCC(F)(F)C2)C1=O ZINC000824843457 946949026 /nfs/dbraw/zinc/94/90/26/946949026.db2.gz FFINEGVNTJSQRT-HNNXBMFYSA-N -1 3 377.355 0.932 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCC(F)(F)C2)C1=O ZINC000824843457 946949031 /nfs/dbraw/zinc/94/90/31/946949031.db2.gz FFINEGVNTJSQRT-HNNXBMFYSA-N -1 3 377.355 0.932 20 0 GCADHM CCN1C(=O)[C@H]2CN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)CCN2C1=O ZINC000825443721 947192591 /nfs/dbraw/zinc/19/25/91/947192591.db2.gz FAGSGNDWHXDVBT-SNVBAGLBSA-N -1 3 376.808 0.696 20 0 GCADHM CCN1C(=O)[C@H]2CN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)CCN2C1=O ZINC000825443721 947192595 /nfs/dbraw/zinc/19/25/95/947192595.db2.gz FAGSGNDWHXDVBT-SNVBAGLBSA-N -1 3 376.808 0.696 20 0 GCADHM CCNC(=O)NC(=O)[C@@H](C)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825471326 947198790 /nfs/dbraw/zinc/19/87/90/947198790.db2.gz RWQPJCNZCVQCKA-SNVBAGLBSA-N -1 3 377.405 0.538 20 0 GCADHM CCNC(=O)NC(=O)[C@@H](C)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825471326 947198799 /nfs/dbraw/zinc/19/87/99/947198799.db2.gz RWQPJCNZCVQCKA-SNVBAGLBSA-N -1 3 377.405 0.538 20 0 GCADHM CCOC(=O)[C@@H](CO)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000825493913 947206187 /nfs/dbraw/zinc/20/61/87/947206187.db2.gz QKRKZRSUKJDSOK-CQSZACIVSA-N -1 3 398.379 0.708 20 0 GCADHM CCOC(=O)[C@@H](CO)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825493913 947206194 /nfs/dbraw/zinc/20/61/94/947206194.db2.gz QKRKZRSUKJDSOK-CQSZACIVSA-N -1 3 398.379 0.708 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)N(C)Cc2cccs2)c1-c1nnn[n-]1 ZINC000825564793 947222799 /nfs/dbraw/zinc/22/27/99/947222799.db2.gz FSVMAJISOKXORQ-UHFFFAOYSA-N -1 3 375.414 0.960 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000825565331 947224904 /nfs/dbraw/zinc/22/49/04/947224904.db2.gz RDTSCRVQVUNMBX-STQMWFEESA-N -1 3 389.416 0.410 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)Nc2ccc(Cl)cn2)c1-c1nnn[n-]1 ZINC000825570708 947230049 /nfs/dbraw/zinc/23/00/49/947230049.db2.gz NMIIJDRZVVEEPG-UHFFFAOYSA-N -1 3 376.764 0.927 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H](C)c1cncnc1 ZINC001573585155 947247589 /nfs/dbraw/zinc/24/75/89/947247589.db2.gz CUDVEBUNCIXTOC-MNOVXSKESA-N -1 3 383.416 0.365 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H](C)c1cncnc1 ZINC001573585155 947247597 /nfs/dbraw/zinc/24/75/97/947247597.db2.gz CUDVEBUNCIXTOC-MNOVXSKESA-N -1 3 383.416 0.365 20 0 GCADHM C=C/C(C)=C/CC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573315685 947257247 /nfs/dbraw/zinc/25/72/47/947257247.db2.gz DNMGDPQGZJTRGG-AJOBCWHBSA-N -1 3 387.419 0.981 20 0 GCADHM C=C/C(C)=C/CC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573315685 947257259 /nfs/dbraw/zinc/25/72/59/947257259.db2.gz DNMGDPQGZJTRGG-AJOBCWHBSA-N -1 3 387.419 0.981 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000825621017 947261727 /nfs/dbraw/zinc/26/17/27/947261727.db2.gz MZDLEOSJTJKLNT-UHFFFAOYSA-N -1 3 385.388 0.002 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H](C)c1cnn(C)c1 ZINC001573585863 947270138 /nfs/dbraw/zinc/27/01/38/947270138.db2.gz IZSXHVPVWIJCIN-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H](C)c1cnn(C)c1 ZINC001573585863 947270150 /nfs/dbraw/zinc/27/01/50/947270150.db2.gz IZSXHVPVWIJCIN-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1)C(C)(F)F ZINC001573591485 947313503 /nfs/dbraw/zinc/31/35/03/947313503.db2.gz BUKOQXQPZVPWFR-WDEREUQCSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1)C(C)(F)F ZINC001573591485 947313518 /nfs/dbraw/zinc/31/35/18/947313518.db2.gz BUKOQXQPZVPWFR-WDEREUQCSA-N -1 3 383.403 0.809 20 0 GCADHM CCn1nc2c(cc1=O)CN(C(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000825806792 947337652 /nfs/dbraw/zinc/33/76/52/947337652.db2.gz DZZSIIVNMUYJQB-MRXNPFEDSA-N -1 3 381.396 0.062 20 0 GCADHM CCn1nc2c(cc1=O)CN(C(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825806792 947337667 /nfs/dbraw/zinc/33/76/67/947337667.db2.gz DZZSIIVNMUYJQB-MRXNPFEDSA-N -1 3 381.396 0.062 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)n(C)c1 ZINC000825826071 947342576 /nfs/dbraw/zinc/34/25/76/947342576.db2.gz VEUGMJSCTJKOER-UHFFFAOYSA-N -1 3 389.441 0.732 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)n(C)c1 ZINC000825826071 947342587 /nfs/dbraw/zinc/34/25/87/947342587.db2.gz VEUGMJSCTJKOER-UHFFFAOYSA-N -1 3 389.441 0.732 20 0 GCADHM 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C[C@H](C(=O)N(C)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573594805 947407526 /nfs/dbraw/zinc/40/75/26/947407526.db2.gz TYWVPSWGJUMTBS-QFWMXSHPSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573594928 947410389 /nfs/dbraw/zinc/41/03/89/947410389.db2.gz UTUWSNLSVKSYPR-NEPJUHHUSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573594928 947410395 /nfs/dbraw/zinc/41/03/95/947410395.db2.gz UTUWSNLSVKSYPR-NEPJUHHUSA-N -1 3 383.416 0.325 20 0 GCADHM COC(=O)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC000826102936 947427885 /nfs/dbraw/zinc/42/78/85/947427885.db2.gz AUVAYSJHKLMKDS-INIZCTEOSA-N -1 3 383.364 0.982 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573596827 947432506 /nfs/dbraw/zinc/43/25/06/947432506.db2.gz LKDFORBXHQYGLK-SWLSCSKDSA-N -1 3 392.485 0.333 20 0 GCADHM 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/nfs/dbraw/zinc/46/28/72/947462872.db2.gz AVUMHDYFYDUMSB-GFCCVEGCSA-N -1 3 387.423 0.749 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573602077 947464664 /nfs/dbraw/zinc/46/46/64/947464664.db2.gz CDXZIBKJVZQFPY-NSHDSACASA-N -1 3 385.432 0.262 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573602077 947464674 /nfs/dbraw/zinc/46/46/74/947464674.db2.gz CDXZIBKJVZQFPY-NSHDSACASA-N -1 3 385.432 0.262 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573602072 947466591 /nfs/dbraw/zinc/46/65/91/947466591.db2.gz CDXZIBKJVZQFPY-LLVKDONJSA-N -1 3 385.432 0.262 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573602072 947466600 /nfs/dbraw/zinc/46/66/00/947466600.db2.gz CDXZIBKJVZQFPY-LLVKDONJSA-N -1 3 385.432 0.262 20 0 GCADHM COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826151762 947479177 /nfs/dbraw/zinc/47/91/77/947479177.db2.gz JCVSYHAXIQDMIB-GFCCVEGCSA-N -1 3 392.416 0.106 20 0 GCADHM COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826151762 947479184 /nfs/dbraw/zinc/47/91/84/947479184.db2.gz JCVSYHAXIQDMIB-GFCCVEGCSA-N -1 3 392.416 0.106 20 0 GCADHM COC[C@H](O)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826151405 947479414 /nfs/dbraw/zinc/47/94/14/947479414.db2.gz AKGABCPOACXYQJ-CBAPKCEASA-N -1 3 381.414 0.294 20 0 GCADHM COC[C@H](O)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826151405 947479423 /nfs/dbraw/zinc/47/94/23/947479423.db2.gz AKGABCPOACXYQJ-CBAPKCEASA-N -1 3 381.414 0.294 20 0 GCADHM COC[C@@H](O)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826151407 947480696 /nfs/dbraw/zinc/48/06/96/947480696.db2.gz AKGABCPOACXYQJ-VXNVDRBHSA-N -1 3 381.414 0.294 20 0 GCADHM COC[C@@H](O)C(=O)O[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826151407 947480702 /nfs/dbraw/zinc/48/07/02/947480702.db2.gz AKGABCPOACXYQJ-VXNVDRBHSA-N -1 3 381.414 0.294 20 0 GCADHM C[C@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)S(=O)(=O)C1CCOCC1 ZINC001573603659 947493903 /nfs/dbraw/zinc/49/39/03/947493903.db2.gz JBLWQBFEZMMRHF-SNVBAGLBSA-N -1 3 380.430 0.207 20 0 GCADHM C[C@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)S(=O)(=O)C1CCOCC1 ZINC001573603659 947493909 /nfs/dbraw/zinc/49/39/09/947493909.db2.gz JBLWQBFEZMMRHF-SNVBAGLBSA-N -1 3 380.430 0.207 20 0 GCADHM COCCCOC1CN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC000826156624 947494445 /nfs/dbraw/zinc/49/44/45/947494445.db2.gz MLHJICSPOOVQHL-UHFFFAOYSA-N -1 3 376.417 0.822 20 0 GCADHM COCCCOC1CN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC000826156624 947494452 /nfs/dbraw/zinc/49/44/52/947494452.db2.gz MLHJICSPOOVQHL-UHFFFAOYSA-N -1 3 376.417 0.822 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573603664 947495015 /nfs/dbraw/zinc/49/50/15/947495015.db2.gz JGASEZKTHXBOGY-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573603664 947495025 /nfs/dbraw/zinc/49/50/25/947495025.db2.gz JGASEZKTHXBOGY-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM COCCCOCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826156626 947495107 /nfs/dbraw/zinc/49/51/07/947495107.db2.gz MMDWQXWNYQTMLY-UHFFFAOYSA-N -1 3 378.408 0.708 20 0 GCADHM COCCCOCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826156626 947495115 /nfs/dbraw/zinc/49/51/15/947495115.db2.gz MMDWQXWNYQTMLY-UHFFFAOYSA-N -1 3 378.408 0.708 20 0 GCADHM COCCN1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826159914 947503474 /nfs/dbraw/zinc/50/34/74/947503474.db2.gz XLWMQSBOBOUELS-INIZCTEOSA-N -1 3 399.455 0.153 20 0 GCADHM COCCN1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826159914 947503490 /nfs/dbraw/zinc/50/34/90/947503490.db2.gz XLWMQSBOBOUELS-INIZCTEOSA-N -1 3 399.455 0.153 20 0 GCADHM COCCN1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826159695 947504022 /nfs/dbraw/zinc/50/40/22/947504022.db2.gz OSENCQKTYCVALW-QGZVFWFLSA-N -1 3 385.472 0.626 20 0 GCADHM C[C@H](C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573604143 947505106 /nfs/dbraw/zinc/50/51/06/947505106.db2.gz LYMCQDBLCHONCL-SECBINFHSA-N -1 3 376.812 0.638 20 0 GCADHM C[C@H](C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573604143 947505110 /nfs/dbraw/zinc/50/51/10/947505110.db2.gz LYMCQDBLCHONCL-SECBINFHSA-N -1 3 376.812 0.638 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncnc1 ZINC001573604151 947505634 /nfs/dbraw/zinc/50/56/34/947505634.db2.gz SJMQMYWYVOMTBM-NSHDSACASA-N -1 3 383.416 0.319 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncnc1 ZINC001573604151 947505639 /nfs/dbraw/zinc/50/56/39/947505639.db2.gz SJMQMYWYVOMTBM-NSHDSACASA-N -1 3 383.416 0.319 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826160636 947506746 /nfs/dbraw/zinc/50/67/46/947506746.db2.gz ZPVPHWPTEHUUTN-KRWDZBQOSA-N -1 3 394.435 0.970 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826160636 947506757 /nfs/dbraw/zinc/50/67/57/947506757.db2.gz ZPVPHWPTEHUUTN-KRWDZBQOSA-N -1 3 394.435 0.970 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCC(=O)N1 ZINC001573604382 947507707 /nfs/dbraw/zinc/50/77/07/947507707.db2.gz SUPOOGXSGBZDMT-DGCLKSJQSA-N -1 3 391.501 0.733 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=S)NCC(=O)N(C)C ZINC000826162141 947509824 /nfs/dbraw/zinc/50/98/24/947509824.db2.gz OYEWLJFDWFLWGY-UHFFFAOYSA-N -1 3 379.446 0.267 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=S)NCC(=O)N(C)C ZINC000826162141 947509827 /nfs/dbraw/zinc/50/98/27/947509827.db2.gz OYEWLJFDWFLWGY-UHFFFAOYSA-N -1 3 379.446 0.267 20 0 GCADHM COCCn1cc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(C)n1 ZINC000826163725 947513602 /nfs/dbraw/zinc/51/36/02/947513602.db2.gz IOXLDBNOJHXRRI-UHFFFAOYSA-N -1 3 396.455 0.980 20 0 GCADHM COCCn1cc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(C)n1 ZINC000826163725 947513614 /nfs/dbraw/zinc/51/36/14/947513614.db2.gz IOXLDBNOJHXRRI-UHFFFAOYSA-N -1 3 396.455 0.980 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000826163828 947514942 /nfs/dbraw/zinc/51/49/42/947514942.db2.gz NBTVAVJWNYFNNM-UHFFFAOYSA-N -1 3 385.384 0.814 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000826163828 947514952 /nfs/dbraw/zinc/51/49/52/947514952.db2.gz NBTVAVJWNYFNNM-UHFFFAOYSA-N -1 3 385.384 0.814 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573604990 947521663 /nfs/dbraw/zinc/52/16/63/947521663.db2.gz RQWDPWJZSBAJCQ-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573604990 947521669 /nfs/dbraw/zinc/52/16/69/947521669.db2.gz RQWDPWJZSBAJCQ-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)N(C)CCN1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573605107 947524460 /nfs/dbraw/zinc/52/44/60/947524460.db2.gz YLRMQTBERRTSHU-CYBMUJFWSA-N -1 3 385.476 0.283 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573606949 947535811 /nfs/dbraw/zinc/53/58/11/947535811.db2.gz BDRKUXCLPPGNLQ-LLVKDONJSA-N -1 3 387.444 0.540 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573606949 947535818 /nfs/dbraw/zinc/53/58/18/947535818.db2.gz BDRKUXCLPPGNLQ-LLVKDONJSA-N -1 3 387.444 0.540 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCc1ccnc(N(C)C)n1 ZINC000826174740 947542384 /nfs/dbraw/zinc/54/23/84/947542384.db2.gz HWHKKWXJIVFCFY-UHFFFAOYSA-N -1 3 384.400 0.427 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCc1ccnc(N(C)C)n1 ZINC000826174740 947542391 /nfs/dbraw/zinc/54/23/91/947542391.db2.gz HWHKKWXJIVFCFY-UHFFFAOYSA-N -1 3 384.400 0.427 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCc1nnc(C)n1C1CC1 ZINC000826175227 947542414 /nfs/dbraw/zinc/54/24/14/947542414.db2.gz XKHMNSHSRVOHCY-UHFFFAOYSA-N -1 3 384.400 0.805 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCc1nnc(C)n1C1CC1 ZINC000826175227 947542424 /nfs/dbraw/zinc/54/24/24/947542424.db2.gz XKHMNSHSRVOHCY-UHFFFAOYSA-N -1 3 384.400 0.805 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573607287 947545027 /nfs/dbraw/zinc/54/50/27/947545027.db2.gz JBJXTVTUAUYHNN-GFCCVEGCSA-N -1 3 385.432 0.032 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573607287 947545039 /nfs/dbraw/zinc/54/50/39/947545039.db2.gz JBJXTVTUAUYHNN-GFCCVEGCSA-N -1 3 385.432 0.032 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCCCn1ccnn1 ZINC000826175568 947546123 /nfs/dbraw/zinc/54/61/23/947546123.db2.gz JGJMULQWHLBPAM-UHFFFAOYSA-N -1 3 386.416 0.832 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCCCn1ccnn1 ZINC000826175568 947546131 /nfs/dbraw/zinc/54/61/31/947546131.db2.gz JGJMULQWHLBPAM-UHFFFAOYSA-N -1 3 386.416 0.832 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)c1cccnc1 ZINC001573607858 947554729 /nfs/dbraw/zinc/55/47/29/947554729.db2.gz SUOPXBGMENQTBL-ZDUSSCGKSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)c1cccnc1 ZINC001573607858 947554737 /nfs/dbraw/zinc/55/47/37/947554737.db2.gz SUOPXBGMENQTBL-ZDUSSCGKSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573613620 947566755 /nfs/dbraw/zinc/56/67/55/947566755.db2.gz DXEXPKSQHTWINS-FPMFFAJLSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573613620 947566758 /nfs/dbraw/zinc/56/67/58/947566758.db2.gz DXEXPKSQHTWINS-FPMFFAJLSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573613901 947573260 /nfs/dbraw/zinc/57/32/60/947573260.db2.gz BKNCZPORJGMQQE-QWHCGFSZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573613901 947573270 /nfs/dbraw/zinc/57/32/70/947573270.db2.gz BKNCZPORJGMQQE-QWHCGFSZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573614207 947579644 /nfs/dbraw/zinc/57/96/44/947579644.db2.gz DCSWQIRRHBFNFT-BDAKNGLRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573614207 947579659 /nfs/dbraw/zinc/57/96/59/947579659.db2.gz DCSWQIRRHBFNFT-BDAKNGLRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573614216 947581088 /nfs/dbraw/zinc/58/10/88/947581088.db2.gz DEZTXLDKPCVSQS-STQMWFEESA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573614216 947581097 /nfs/dbraw/zinc/58/10/97/947581097.db2.gz DEZTXLDKPCVSQS-STQMWFEESA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573614331 947584451 /nfs/dbraw/zinc/58/44/51/947584451.db2.gz DJRPEJGWKRBDSX-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573614331 947584460 /nfs/dbraw/zinc/58/44/60/947584460.db2.gz DJRPEJGWKRBDSX-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573614809 947592249 /nfs/dbraw/zinc/59/22/49/947592249.db2.gz HMSHIOZFUHEKHQ-SGTLLEGYSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573614809 947592257 /nfs/dbraw/zinc/59/22/57/947592257.db2.gz HMSHIOZFUHEKHQ-SGTLLEGYSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573614899 947596253 /nfs/dbraw/zinc/59/62/53/947596253.db2.gz BLDPQFLXCPQFGA-VXGBXAGGSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573614899 947596257 /nfs/dbraw/zinc/59/62/57/947596257.db2.gz BLDPQFLXCPQFGA-VXGBXAGGSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccn1 ZINC001573617390 947634405 /nfs/dbraw/zinc/63/44/05/947634405.db2.gz LMZNKSITXVDFNL-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccn1 ZINC001573617390 947634412 /nfs/dbraw/zinc/63/44/12/947634412.db2.gz LMZNKSITXVDFNL-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccc1 ZINC001573617664 947638116 /nfs/dbraw/zinc/63/81/16/947638116.db2.gz MLZYJFMJTUSKGW-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccc1 ZINC001573617664 947638124 /nfs/dbraw/zinc/63/81/24/947638124.db2.gz MLZYJFMJTUSKGW-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccc1 ZINC001573617661 947639221 /nfs/dbraw/zinc/63/92/21/947639221.db2.gz MLZYJFMJTUSKGW-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccc1 ZINC001573617661 947639236 /nfs/dbraw/zinc/63/92/36/947639236.db2.gz MLZYJFMJTUSKGW-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573617985 947645989 /nfs/dbraw/zinc/64/59/89/947645989.db2.gz OCDFGOPKPGLHQK-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573617985 947645998 /nfs/dbraw/zinc/64/59/98/947645998.db2.gz OCDFGOPKPGLHQK-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573618319 947651000 /nfs/dbraw/zinc/65/10/00/947651000.db2.gz QLPVLNZCKVJKIP-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573618319 947651010 /nfs/dbraw/zinc/65/10/10/947651010.db2.gz QLPVLNZCKVJKIP-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573619567 947666694 /nfs/dbraw/zinc/66/66/94/947666694.db2.gz VTFKCXJKDORJGX-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573619567 947666701 /nfs/dbraw/zinc/66/67/01/947666701.db2.gz VTFKCXJKDORJGX-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM CSc1[nH]c(=O)c(C(=O)N2CCN(C(C)(C)CO)CC2)cc1-c1nn[n-]n1 ZINC000826229630 947671903 /nfs/dbraw/zinc/67/19/03/947671903.db2.gz LGHJUUSAHSNHKC-UHFFFAOYSA-N -1 3 393.473 0.218 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccn1 ZINC001573619986 947674571 /nfs/dbraw/zinc/67/45/71/947674571.db2.gz ZEXXTZUGSODXMD-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccn1 ZINC001573619986 947674576 /nfs/dbraw/zinc/67/45/76/947674576.db2.gz ZEXXTZUGSODXMD-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573619979 947674931 /nfs/dbraw/zinc/67/49/31/947674931.db2.gz ZDEVHFOCCPXGDG-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573619979 947674939 /nfs/dbraw/zinc/67/49/39/947674939.db2.gz ZDEVHFOCCPXGDG-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccn1 ZINC001573619985 947675177 /nfs/dbraw/zinc/67/51/77/947675177.db2.gz ZEXXTZUGSODXMD-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccn1 ZINC001573619985 947675185 /nfs/dbraw/zinc/67/51/85/947675185.db2.gz ZEXXTZUGSODXMD-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H]1CN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCN1S(C)(=O)=O ZINC000826232474 947679339 /nfs/dbraw/zinc/67/93/39/947679339.db2.gz OIJDOKPTPGAMNN-JTQLQIEISA-N -1 3 397.436 0.181 20 0 GCADHM C[C@H]1CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCN1S(C)(=O)=O ZINC000826232474 947679347 /nfs/dbraw/zinc/67/93/47/947679347.db2.gz OIJDOKPTPGAMNN-JTQLQIEISA-N -1 3 397.436 0.181 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573623657 947689551 /nfs/dbraw/zinc/68/95/51/947689551.db2.gz HMFZZHIMBVKEIQ-QWHCGFSZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573623657 947689557 /nfs/dbraw/zinc/68/95/57/947689557.db2.gz HMFZZHIMBVKEIQ-QWHCGFSZSA-N -1 3 382.428 0.930 20 0 GCADHM Cc1c(C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nnn1C ZINC000826234932 947690731 /nfs/dbraw/zinc/69/07/31/947690731.db2.gz VEELSWVHWRBGQB-ZDUSSCGKSA-N -1 3 382.384 0.656 20 0 GCADHM Cc1c(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nnn1C ZINC000826234932 947690739 /nfs/dbraw/zinc/69/07/39/947690739.db2.gz VEELSWVHWRBGQB-ZDUSSCGKSA-N -1 3 382.384 0.656 20 0 GCADHM C/C(=C/C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573361867 947698937 /nfs/dbraw/zinc/69/89/37/947698937.db2.gz GANKCGXGLVBXRQ-YFWYWMRJSA-N -1 3 385.428 0.244 20 0 GCADHM C/C(=C/C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573361867 947698943 /nfs/dbraw/zinc/69/89/43/947698943.db2.gz GANKCGXGLVBXRQ-YFWYWMRJSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573625566 947700561 /nfs/dbraw/zinc/70/05/61/947700561.db2.gz OUVWCGMRSLTTRH-ADLMAVQZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573625566 947700574 /nfs/dbraw/zinc/70/05/74/947700574.db2.gz OUVWCGMRSLTTRH-ADLMAVQZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573625568 947701482 /nfs/dbraw/zinc/70/14/82/947701482.db2.gz OUVWCGMRSLTTRH-VOJFVSQTSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573625568 947701492 /nfs/dbraw/zinc/70/14/92/947701492.db2.gz OUVWCGMRSLTTRH-VOJFVSQTSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573626304 947707177 /nfs/dbraw/zinc/70/71/77/947707177.db2.gz SVPDNCFVBBFTMM-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573626304 947707183 /nfs/dbraw/zinc/70/71/83/947707183.db2.gz SVPDNCFVBBFTMM-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573626357 947709555 /nfs/dbraw/zinc/70/95/55/947709555.db2.gz TUUBGFYUVXGRTL-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573626357 947709563 /nfs/dbraw/zinc/70/95/63/947709563.db2.gz TUUBGFYUVXGRTL-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573363393 947711630 /nfs/dbraw/zinc/71/16/30/947711630.db2.gz CFMJLYYLGGMRIZ-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573363393 947711643 /nfs/dbraw/zinc/71/16/43/947711643.db2.gz CFMJLYYLGGMRIZ-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCc2ccc(CO)cc2)cccc1-c1nnn[n-]1 ZINC000826240819 947714351 /nfs/dbraw/zinc/71/43/51/947714351.db2.gz IEDSWIYVCHZYLZ-UHFFFAOYSA-N -1 3 380.408 0.965 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCc2ccc(CO)cc2)cccc1-c1nn[n-]n1 ZINC000826240819 947714356 /nfs/dbraw/zinc/71/43/56/947714356.db2.gz IEDSWIYVCHZYLZ-UHFFFAOYSA-N -1 3 380.408 0.965 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573627475 947723963 /nfs/dbraw/zinc/72/39/63/947723963.db2.gz BYWDWBQUNDTQPW-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573627475 947723968 /nfs/dbraw/zinc/72/39/68/947723968.db2.gz BYWDWBQUNDTQPW-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573366909 947749297 /nfs/dbraw/zinc/74/92/97/947749297.db2.gz VBKCXLPMBOJZFT-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573366909 947749304 /nfs/dbraw/zinc/74/93/04/947749304.db2.gz VBKCXLPMBOJZFT-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573628332 947752582 /nfs/dbraw/zinc/75/25/82/947752582.db2.gz GWBTUAICIXHPHG-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573628332 947752589 /nfs/dbraw/zinc/75/25/89/947752589.db2.gz GWBTUAICIXHPHG-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)CCCC(=O)N(C)CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573367475 947758906 /nfs/dbraw/zinc/75/89/06/947758906.db2.gz DBKXSJNKRSWVLP-UHFFFAOYSA-N -1 3 375.433 0.875 20 0 GCADHM CC(=O)CCCC(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573367475 947758910 /nfs/dbraw/zinc/75/89/10/947758910.db2.gz DBKXSJNKRSWVLP-UHFFFAOYSA-N -1 3 375.433 0.875 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573628632 947760817 /nfs/dbraw/zinc/76/08/17/947760817.db2.gz NAMYJGXLZSWWBV-QWHCGFSZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573628632 947760820 /nfs/dbraw/zinc/76/08/20/947760820.db2.gz NAMYJGXLZSWWBV-QWHCGFSZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573628634 947762289 /nfs/dbraw/zinc/76/22/89/947762289.db2.gz NAMYJGXLZSWWBV-STQMWFEESA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573628634 947762296 /nfs/dbraw/zinc/76/22/96/947762296.db2.gz NAMYJGXLZSWWBV-STQMWFEESA-N -1 3 382.432 0.907 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573367727 947762657 /nfs/dbraw/zinc/76/26/57/947762657.db2.gz HBLSUXCPXDTFDQ-ZDUSSCGKSA-N -1 3 375.433 0.561 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573367727 947762662 /nfs/dbraw/zinc/76/26/62/947762662.db2.gz HBLSUXCPXDTFDQ-ZDUSSCGKSA-N -1 3 375.433 0.561 20 0 GCADHM Cc1onc(CC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)c1-c1nnn[n-]1 ZINC000826269857 947779778 /nfs/dbraw/zinc/77/97/78/947779778.db2.gz ZPSBNVUQBQHVBG-UHFFFAOYSA-N -1 3 397.443 0.898 20 0 GCADHM Cc1onc(CC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)c1-c1nn[n-]n1 ZINC000826269857 947779786 /nfs/dbraw/zinc/77/97/86/947779786.db2.gz ZPSBNVUQBQHVBG-UHFFFAOYSA-N -1 3 397.443 0.898 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573629467 947779942 /nfs/dbraw/zinc/77/99/42/947779942.db2.gz UIFBWHWBWVUDQC-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573629467 947779949 /nfs/dbraw/zinc/77/99/49/947779949.db2.gz UIFBWHWBWVUDQC-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573369946 947780508 /nfs/dbraw/zinc/78/05/08/947780508.db2.gz ZYNZEHKMCXXAAS-ZDUSSCGKSA-N -1 3 375.433 0.277 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573369946 947780513 /nfs/dbraw/zinc/78/05/13/947780513.db2.gz ZYNZEHKMCXXAAS-ZDUSSCGKSA-N -1 3 375.433 0.277 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573630229 947788901 /nfs/dbraw/zinc/78/89/01/947788901.db2.gz WXZKYPZQNCBWDP-OLZOCXBDSA-N -1 3 386.460 0.400 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573373365 947792823 /nfs/dbraw/zinc/79/28/23/947792823.db2.gz IEWJTTQMVFZPPZ-UHFFFAOYSA-N -1 3 387.444 0.786 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573373365 947792832 /nfs/dbraw/zinc/79/28/32/947792832.db2.gz IEWJTTQMVFZPPZ-UHFFFAOYSA-N -1 3 387.444 0.786 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573630802 947797290 /nfs/dbraw/zinc/79/72/90/947797290.db2.gz SJTBIIVLVJWECR-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573630802 947797294 /nfs/dbraw/zinc/79/72/94/947797294.db2.gz SJTBIIVLVJWECR-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573631376 947799019 /nfs/dbraw/zinc/79/90/19/947799019.db2.gz UUUFWZPJCFWEAE-WDEREUQCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573631376 947799024 /nfs/dbraw/zinc/79/90/24/947799024.db2.gz UUUFWZPJCFWEAE-WDEREUQCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573631800 947804946 /nfs/dbraw/zinc/80/49/46/947804946.db2.gz WYCRUJAGIASZRB-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573631800 947804959 /nfs/dbraw/zinc/80/49/59/947804959.db2.gz WYCRUJAGIASZRB-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573632269 947810301 /nfs/dbraw/zinc/81/03/01/947810301.db2.gz ZNWCCBGQHYFTKI-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573632269 947810310 /nfs/dbraw/zinc/81/03/10/947810310.db2.gz ZNWCCBGQHYFTKI-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001573374747 947814334 /nfs/dbraw/zinc/81/43/34/947814334.db2.gz LPJBDRJDDGPOEI-KBPBESRZSA-N -1 3 392.485 0.739 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001573374747 947814341 /nfs/dbraw/zinc/81/43/41/947814341.db2.gz LPJBDRJDDGPOEI-KBPBESRZSA-N -1 3 392.485 0.739 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccc1 ZINC001573637667 947819617 /nfs/dbraw/zinc/81/96/17/947819617.db2.gz MRAOGTTVIPUXCT-CYBMUJFWSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccc1 ZINC001573637667 947819625 /nfs/dbraw/zinc/81/96/25/947819625.db2.gz MRAOGTTVIPUXCT-CYBMUJFWSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccn1 ZINC001573637687 947821981 /nfs/dbraw/zinc/82/19/81/947821981.db2.gz NCKNOHBNJZODRU-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccn1 ZINC001573637687 947821994 /nfs/dbraw/zinc/82/19/94/947821994.db2.gz NCKNOHBNJZODRU-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccn1 ZINC001573637819 947823507 /nfs/dbraw/zinc/82/35/07/947823507.db2.gz RNPBAVYPABSJSK-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccn1 ZINC001573637819 947823518 /nfs/dbraw/zinc/82/35/18/947823518.db2.gz RNPBAVYPABSJSK-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573637898 947827117 /nfs/dbraw/zinc/82/71/17/947827117.db2.gz VHEGELFPCKPBIS-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573637898 947827125 /nfs/dbraw/zinc/82/71/25/947827125.db2.gz VHEGELFPCKPBIS-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573637969 947828266 /nfs/dbraw/zinc/82/82/66/947828266.db2.gz XQFXMVLOGIXIHE-TZMCWYRMSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573637969 947828269 /nfs/dbraw/zinc/82/82/69/947828269.db2.gz XQFXMVLOGIXIHE-TZMCWYRMSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573637966 947829359 /nfs/dbraw/zinc/82/93/59/947829359.db2.gz XQFXMVLOGIXIHE-GXTWGEPZSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCC(=O)N1 ZINC001573637966 947829369 /nfs/dbraw/zinc/82/93/69/947829369.db2.gz XQFXMVLOGIXIHE-GXTWGEPZSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1ccnn1C ZINC001573638014 947830814 /nfs/dbraw/zinc/83/08/14/947830814.db2.gz ASUFJNNPOUGFTJ-LLVKDONJSA-N -1 3 383.416 0.016 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1ccnn1C ZINC001573638014 947830826 /nfs/dbraw/zinc/83/08/26/947830826.db2.gz ASUFJNNPOUGFTJ-LLVKDONJSA-N -1 3 383.416 0.016 20 0 GCADHM C[C@H](C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)S(C)(=O)=O ZINC001573638075 947833684 /nfs/dbraw/zinc/83/36/84/947833684.db2.gz BXHLDJQJGWANLX-SNVBAGLBSA-N -1 3 384.487 0.006 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1)S(C)(=O)=O ZINC001573638408 947838456 /nfs/dbraw/zinc/83/84/56/947838456.db2.gz MVOLIHGJGJVCGW-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1)S(C)(=O)=O ZINC001573638408 947838465 /nfs/dbraw/zinc/83/84/65/947838465.db2.gz MVOLIHGJGJVCGW-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573377360 947848480 /nfs/dbraw/zinc/84/84/80/947848480.db2.gz KKMHBKULGQIJBG-IUODEOHRSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573377360 947848487 /nfs/dbraw/zinc/84/84/87/947848487.db2.gz KKMHBKULGQIJBG-IUODEOHRSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573377697 947849737 /nfs/dbraw/zinc/84/97/37/947849737.db2.gz QGIZMABCQAIHLC-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573377697 947849742 /nfs/dbraw/zinc/84/97/42/947849742.db2.gz QGIZMABCQAIHLC-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573640112 947850887 /nfs/dbraw/zinc/85/08/87/947850887.db2.gz FVAKOUUWFUBQQZ-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573640112 947850895 /nfs/dbraw/zinc/85/08/95/947850895.db2.gz FVAKOUUWFUBQQZ-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573380490 947858579 /nfs/dbraw/zinc/85/85/79/947858579.db2.gz CVWOLELFAUGXND-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573380490 947858584 /nfs/dbraw/zinc/85/85/84/947858584.db2.gz CVWOLELFAUGXND-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573642245 947860950 /nfs/dbraw/zinc/86/09/50/947860950.db2.gz PGSAQUUCQGHYBG-YPMHNXCESA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573642245 947860956 /nfs/dbraw/zinc/86/09/56/947860956.db2.gz PGSAQUUCQGHYBG-YPMHNXCESA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cccc1 ZINC001573642525 947861122 /nfs/dbraw/zinc/86/11/22/947861122.db2.gz QQVYUNOFXMDHRR-HIFRSBDPSA-N -1 3 382.428 0.964 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cccc1 ZINC001573642525 947861135 /nfs/dbraw/zinc/86/11/35/947861135.db2.gz QQVYUNOFXMDHRR-HIFRSBDPSA-N -1 3 382.428 0.964 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cccc1 ZINC001573642526 947861754 /nfs/dbraw/zinc/86/17/54/947861754.db2.gz QQVYUNOFXMDHRR-UKRRQHHQSA-N -1 3 382.428 0.964 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cccc1 ZINC001573642526 947861759 /nfs/dbraw/zinc/86/17/59/947861759.db2.gz QQVYUNOFXMDHRR-UKRRQHHQSA-N -1 3 382.428 0.964 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCc2ccc(CO)cc2)c1-c1nnn[n-]1 ZINC000826299195 947865291 /nfs/dbraw/zinc/86/52/91/947865291.db2.gz VAVXRNACNIHKQM-UHFFFAOYSA-N -1 3 380.408 0.965 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCc2ccc(CO)cc2)c1-c1nn[n-]n1 ZINC000826299195 947865296 /nfs/dbraw/zinc/86/52/96/947865296.db2.gz VAVXRNACNIHKQM-UHFFFAOYSA-N -1 3 380.408 0.965 20 0 GCADHM C[C@H](C(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573644085 947867953 /nfs/dbraw/zinc/86/79/53/947867953.db2.gz XXYNGXRBCKDCQO-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573644085 947867959 /nfs/dbraw/zinc/86/79/59/947867959.db2.gz XXYNGXRBCKDCQO-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573380991 947868504 /nfs/dbraw/zinc/86/85/04/947868504.db2.gz MLAROFIKDIOQJP-UHFFFAOYSA-N -1 3 390.419 0.428 20 0 GCADHM CC(=O)CCCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573380991 947868505 /nfs/dbraw/zinc/86/85/05/947868505.db2.gz MLAROFIKDIOQJP-UHFFFAOYSA-N -1 3 390.419 0.428 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)n1cccn1 ZINC001573646252 947873095 /nfs/dbraw/zinc/87/30/95/947873095.db2.gz JLVRJXCLYZGMEP-SLEUVZQESA-N -1 3 395.427 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)n1cccn1 ZINC001573646252 947873103 /nfs/dbraw/zinc/87/31/03/947873103.db2.gz JLVRJXCLYZGMEP-SLEUVZQESA-N -1 3 395.427 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)n1cccn1 ZINC001573646253 947873305 /nfs/dbraw/zinc/87/33/05/947873305.db2.gz JLVRJXCLYZGMEP-TYNCELHUSA-N -1 3 395.427 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)n1cccn1 ZINC001573646253 947873309 /nfs/dbraw/zinc/87/33/09/947873309.db2.gz JLVRJXCLYZGMEP-TYNCELHUSA-N -1 3 395.427 0.325 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573381446 947874290 /nfs/dbraw/zinc/87/42/90/947874290.db2.gz VLTCWBAFTCROOT-CQSZACIVSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573381446 947874296 /nfs/dbraw/zinc/87/42/96/947874296.db2.gz VLTCWBAFTCROOT-CQSZACIVSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573381452 947875424 /nfs/dbraw/zinc/87/54/24/947875424.db2.gz VPKUJJZMASZGOZ-UHFFFAOYSA-N -1 3 390.419 0.428 20 0 GCADHM CC(=O)CCCC(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573381452 947875426 /nfs/dbraw/zinc/87/54/26/947875426.db2.gz VPKUJJZMASZGOZ-UHFFFAOYSA-N -1 3 390.419 0.428 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573381458 947875443 /nfs/dbraw/zinc/87/54/43/947875443.db2.gz VSXYQUFFKUYVAS-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573381458 947875450 /nfs/dbraw/zinc/87/54/50/947875450.db2.gz VSXYQUFFKUYVAS-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573382053 947881771 /nfs/dbraw/zinc/88/17/71/947881771.db2.gz CXQFHWYMYAGWHK-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NCC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573382053 947881781 /nfs/dbraw/zinc/88/17/81/947881781.db2.gz CXQFHWYMYAGWHK-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1 ZINC001573383107 947887716 /nfs/dbraw/zinc/88/77/16/947887716.db2.gz NMEHAOHVXMIIMV-HNNXBMFYSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1 ZINC001573383107 947887726 /nfs/dbraw/zinc/88/77/26/947887726.db2.gz NMEHAOHVXMIIMV-HNNXBMFYSA-N -1 3 387.444 0.733 20 0 GCADHM Cc1ccnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)c1-c1nnn[n-]1 ZINC000826310211 947892698 /nfs/dbraw/zinc/89/26/98/947892698.db2.gz OSWAKPZQBNBRKR-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1ccnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)c1-c1nn[n-]n1 ZINC000826310211 947892707 /nfs/dbraw/zinc/89/27/07/947892707.db2.gz OSWAKPZQBNBRKR-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1ccnc(N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)c1-c1nnn[n-]1 ZINC000826310876 947897694 /nfs/dbraw/zinc/89/76/94/947897694.db2.gz LRROJMSSDPBFOO-UHFFFAOYSA-N -1 3 394.443 0.402 20 0 GCADHM Cc1ccnc(N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)c1-c1nn[n-]n1 ZINC000826310876 947897700 /nfs/dbraw/zinc/89/77/00/947897700.db2.gz LRROJMSSDPBFOO-UHFFFAOYSA-N -1 3 394.443 0.402 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1)n1cccc1 ZINC001573647772 947901642 /nfs/dbraw/zinc/90/16/42/947901642.db2.gz SYNZJOMYWWYYTE-DVOMOZLQSA-N -1 3 394.439 0.930 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1)n1cccc1 ZINC001573647772 947901648 /nfs/dbraw/zinc/90/16/48/947901648.db2.gz SYNZJOMYWWYYTE-DVOMOZLQSA-N -1 3 394.439 0.930 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573384429 947901917 /nfs/dbraw/zinc/90/19/17/947901917.db2.gz MYOCHYGPMUOZRM-CHWSQXEVSA-N -1 3 378.458 0.349 20 0 GCADHM C[C@H](C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)[C@@H](C)S(C)(=O)=O ZINC001573648331 947907177 /nfs/dbraw/zinc/90/71/77/947907177.db2.gz YVKSZGJVOAMNRT-JGVFFNPUSA-N -1 3 384.487 0.464 20 0 GCADHM C[C@H](C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)[C@@H](C)S(C)(=O)=O ZINC001573648331 947907187 /nfs/dbraw/zinc/90/71/87/947907187.db2.gz YVKSZGJVOAMNRT-JGVFFNPUSA-N -1 3 384.487 0.464 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001573384885 947908032 /nfs/dbraw/zinc/90/80/32/947908032.db2.gz ZWBPMACVFXKUBR-CVEARBPZSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001573384885 947908039 /nfs/dbraw/zinc/90/80/39/947908039.db2.gz ZWBPMACVFXKUBR-CVEARBPZSA-N -1 3 390.419 0.426 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573650768 947913418 /nfs/dbraw/zinc/91/34/18/947913418.db2.gz DYTMNAKKZIJVAE-UGFHNGPFSA-N -1 3 379.428 0.588 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573650768 947913428 /nfs/dbraw/zinc/91/34/28/947913428.db2.gz DYTMNAKKZIJVAE-UGFHNGPFSA-N -1 3 379.428 0.588 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573388135 947914791 /nfs/dbraw/zinc/91/47/91/947914791.db2.gz ILLUVONRLBUOOI-UHFFFAOYSA-N -1 3 389.435 0.911 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573388135 947914795 /nfs/dbraw/zinc/91/47/95/947914795.db2.gz ILLUVONRLBUOOI-UHFFFAOYSA-N -1 3 389.435 0.911 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573651008 947915373 /nfs/dbraw/zinc/91/53/73/947915373.db2.gz IEPRDOQCMZENBY-DLOVCJGASA-N -1 3 384.379 0.043 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573651008 947915380 /nfs/dbraw/zinc/91/53/80/947915380.db2.gz IEPRDOQCMZENBY-DLOVCJGASA-N -1 3 384.379 0.043 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573650943 947915867 /nfs/dbraw/zinc/91/58/67/947915867.db2.gz GGTGUJASKZQSHN-PBOSXPJTSA-N -1 3 380.412 0.444 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573650943 947915873 /nfs/dbraw/zinc/91/58/73/947915873.db2.gz GGTGUJASKZQSHN-PBOSXPJTSA-N -1 3 380.412 0.444 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573388703 947920129 /nfs/dbraw/zinc/92/01/29/947920129.db2.gz NWRUWEHYNNIPHO-JOYOIKCWSA-N -1 3 392.489 0.616 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2snc(C)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573388701 947920411 /nfs/dbraw/zinc/92/04/11/947920411.db2.gz NWRUWEHYNNIPHO-BXKDBHETSA-N -1 3 392.489 0.616 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573651695 947924076 /nfs/dbraw/zinc/92/40/76/947924076.db2.gz PCGZRDRRXBSNAB-PBOSXPJTSA-N -1 3 380.412 0.444 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573651695 947924086 /nfs/dbraw/zinc/92/40/86/947924086.db2.gz PCGZRDRRXBSNAB-PBOSXPJTSA-N -1 3 380.412 0.444 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573389124 947924041 /nfs/dbraw/zinc/92/40/41/947924041.db2.gz QNPOGODJPMILLJ-ZWNOBZJWSA-N -1 3 390.423 0.386 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573389124 947924045 /nfs/dbraw/zinc/92/40/45/947924045.db2.gz QNPOGODJPMILLJ-ZWNOBZJWSA-N -1 3 390.423 0.386 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573389452 947924837 /nfs/dbraw/zinc/92/48/37/947924837.db2.gz RCIANEDSJZEPKH-UHFFFAOYSA-N -1 3 377.424 0.769 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573389452 947924844 /nfs/dbraw/zinc/92/48/44/947924844.db2.gz RCIANEDSJZEPKH-UHFFFAOYSA-N -1 3 377.424 0.769 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001573389984 947927229 /nfs/dbraw/zinc/92/72/29/947927229.db2.gz VRRPQNBMABDZNG-OAHLLOKOSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001573389984 947927238 /nfs/dbraw/zinc/92/72/38/947927238.db2.gz VRRPQNBMABDZNG-OAHLLOKOSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1C ZINC001573390622 947930062 /nfs/dbraw/zinc/93/00/62/947930062.db2.gz ZASVATXXIGGVSM-CABZTGNLSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1C ZINC001573390622 947930068 /nfs/dbraw/zinc/93/00/68/947930068.db2.gz ZASVATXXIGGVSM-CABZTGNLSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573391345 947933286 /nfs/dbraw/zinc/93/32/86/947933286.db2.gz GMTRVVXLXRYMJI-LLVKDONJSA-N -1 3 378.824 0.406 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573391345 947933291 /nfs/dbraw/zinc/93/32/91/947933291.db2.gz GMTRVVXLXRYMJI-LLVKDONJSA-N -1 3 378.824 0.406 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1)n1cncn1 ZINC001573652255 947933401 /nfs/dbraw/zinc/93/34/01/947933401.db2.gz BWGOOJRFLYNMQG-RNCFNFMXSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1)n1cncn1 ZINC001573652255 947933409 /nfs/dbraw/zinc/93/34/09/947933409.db2.gz BWGOOJRFLYNMQG-RNCFNFMXSA-N -1 3 386.395 0.560 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573391425 947936094 /nfs/dbraw/zinc/93/60/94/947936094.db2.gz HQYCTGSSFRGZJC-AWEZNQCLSA-N -1 3 386.460 0.841 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573391425 947936102 /nfs/dbraw/zinc/93/61/02/947936102.db2.gz HQYCTGSSFRGZJC-AWEZNQCLSA-N -1 3 386.460 0.841 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCO[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573391803 947937592 /nfs/dbraw/zinc/93/75/92/947937592.db2.gz LASMJVNEPLMFGX-LBPRGKRZSA-N -1 3 391.407 0.123 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCO[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573391803 947937597 /nfs/dbraw/zinc/93/75/97/947937597.db2.gz LASMJVNEPLMFGX-LBPRGKRZSA-N -1 3 391.407 0.123 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573391994 947939819 /nfs/dbraw/zinc/93/98/19/947939819.db2.gz OEBGMZLETVFWRR-UHFFFAOYSA-N -1 3 375.408 0.128 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573391994 947939824 /nfs/dbraw/zinc/93/98/24/947939824.db2.gz OEBGMZLETVFWRR-UHFFFAOYSA-N -1 3 375.408 0.128 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573392010 947940124 /nfs/dbraw/zinc/94/01/24/947940124.db2.gz OXXFMSFGRSXKJO-UHFFFAOYSA-N -1 3 392.851 0.432 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573392010 947940130 /nfs/dbraw/zinc/94/01/30/947940130.db2.gz OXXFMSFGRSXKJO-UHFFFAOYSA-N -1 3 392.851 0.432 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573392112 947941751 /nfs/dbraw/zinc/94/17/51/947941751.db2.gz SFZPYZXLBYMXRA-MLGOLLRUSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573392112 947941760 /nfs/dbraw/zinc/94/17/60/947941760.db2.gz SFZPYZXLBYMXRA-MLGOLLRUSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573652678 947943779 /nfs/dbraw/zinc/94/37/79/947943779.db2.gz GJVHAOSPQQTHAX-CMPLNLGQSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573652678 947943785 /nfs/dbraw/zinc/94/37/85/947943785.db2.gz GJVHAOSPQQTHAX-CMPLNLGQSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573392224 947944266 /nfs/dbraw/zinc/94/42/66/947944266.db2.gz XNLCXDBYJMVZEM-DOMZBBRYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573392224 947944271 /nfs/dbraw/zinc/94/42/71/947944271.db2.gz XNLCXDBYJMVZEM-DOMZBBRYSA-N -1 3 386.460 0.779 20 0 GCADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN[C@H](C)c3cccnc3)CC2)o1 ZINC000826322800 947945574 /nfs/dbraw/zinc/94/55/74/947945574.db2.gz BVOHLNXPUDKXCK-GFCCVEGCSA-N -1 3 397.443 0.558 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(C)(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573392632 947948165 /nfs/dbraw/zinc/94/81/65/947948165.db2.gz COMVBUDZUAKKRM-UHFFFAOYSA-N -1 3 386.460 0.841 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(C)(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573392632 947948173 /nfs/dbraw/zinc/94/81/73/947948173.db2.gz COMVBUDZUAKKRM-UHFFFAOYSA-N -1 3 386.460 0.841 20 0 GCADHM C[C@H](C(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccc1 ZINC001573653135 947950602 /nfs/dbraw/zinc/95/06/02/947950602.db2.gz JJGOSNNARCIMCT-IAQYHMDHSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccc1 ZINC001573653135 947950610 /nfs/dbraw/zinc/95/06/10/947950610.db2.gz JJGOSNNARCIMCT-IAQYHMDHSA-N -1 3 382.428 0.882 20 0 GCADHM 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XCVBKJKPEOEDCB-CYBMUJFWSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573399332 947992616 /nfs/dbraw/zinc/99/26/16/947992616.db2.gz VMHYQJUBLACKED-QAPCUYQASA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573399332 947992621 /nfs/dbraw/zinc/99/26/21/947992621.db2.gz VMHYQJUBLACKED-QAPCUYQASA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H](C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573656799 947993225 /nfs/dbraw/zinc/99/32/25/947993225.db2.gz IBLZBRGBBACWSZ-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573656799 947993232 /nfs/dbraw/zinc/99/32/32/947993232.db2.gz IBLZBRGBBACWSZ-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573399644 947994355 /nfs/dbraw/zinc/99/43/55/947994355.db2.gz YCLBJQUXPJGJSM-KGLIPLIRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573399644 947994361 /nfs/dbraw/zinc/99/43/61/947994361.db2.gz YCLBJQUXPJGJSM-KGLIPLIRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)[C@H](C)C1 ZINC001573401141 947996666 /nfs/dbraw/zinc/99/66/66/947996666.db2.gz AAHWXGPSLZPCOB-RISCZKNCSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)[C@H](C)C1 ZINC001573401141 947996673 /nfs/dbraw/zinc/99/66/73/947996673.db2.gz AAHWXGPSLZPCOB-RISCZKNCSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573401848 947999632 /nfs/dbraw/zinc/99/96/32/947999632.db2.gz DPICQKJBEYZYEO-AWEZNQCLSA-N -1 3 389.435 0.815 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001573401848 947999638 /nfs/dbraw/zinc/99/96/38/947999638.db2.gz DPICQKJBEYZYEO-AWEZNQCLSA-N -1 3 389.435 0.815 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cncnc1 ZINC001573657951 948004219 /nfs/dbraw/zinc/00/42/19/948004219.db2.gz QFROPUUHUZKFHR-JTQLQIEISA-N -1 3 381.400 0.167 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cncnc1 ZINC001573657951 948004223 /nfs/dbraw/zinc/00/42/23/948004223.db2.gz QFROPUUHUZKFHR-JTQLQIEISA-N -1 3 381.400 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C ZINC001573402735 948005095 /nfs/dbraw/zinc/00/50/95/948005095.db2.gz HIPGKAKOXDQTNZ-OAHLLOKOSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C ZINC001573402735 948005102 /nfs/dbraw/zinc/00/51/02/948005102.db2.gz HIPGKAKOXDQTNZ-OAHLLOKOSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573657945 948005152 /nfs/dbraw/zinc/00/51/52/948005152.db2.gz QFFASOFWXOAYIY-HWPZZCPQSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573657945 948005159 /nfs/dbraw/zinc/00/51/59/948005159.db2.gz QFFASOFWXOAYIY-HWPZZCPQSA-N -1 3 386.395 0.339 20 0 GCADHM Cc1onc(CC(=O)N2CCN(C(=O)c3ccccc3O)CC2)c1-c1nnn[n-]1 ZINC000826344436 948006546 /nfs/dbraw/zinc/00/65/46/948006546.db2.gz HSUAAEXSGGJOAD-UHFFFAOYSA-N -1 3 397.395 0.396 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1)C1CC1 ZINC001573658563 948009022 /nfs/dbraw/zinc/00/90/22/948009022.db2.gz SBEXBDYXHDVUKB-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1)C1CC1 ZINC001573658563 948009025 /nfs/dbraw/zinc/00/90/25/948009025.db2.gz SBEXBDYXHDVUKB-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573658663 948012082 /nfs/dbraw/zinc/01/20/82/948012082.db2.gz STBONJAIHWNHMN-KZULUSFZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573658663 948012093 /nfs/dbraw/zinc/01/20/93/948012093.db2.gz STBONJAIHWNHMN-KZULUSFZSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)[C@@H]1C ZINC001573403760 948012911 /nfs/dbraw/zinc/01/29/11/948012911.db2.gz OGTPCKGKLTUOLA-DOMZBBRYSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)[C@@H]1C ZINC001573403760 948012916 /nfs/dbraw/zinc/01/29/16/948012916.db2.gz OGTPCKGKLTUOLA-DOMZBBRYSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1)[C@H]1CCCO1 ZINC001573659054 948014258 /nfs/dbraw/zinc/01/42/58/948014258.db2.gz USENLRHOPVPYBW-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1)[C@H]1CCCO1 ZINC001573659054 948014269 /nfs/dbraw/zinc/01/42/69/948014269.db2.gz USENLRHOPVPYBW-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573659616 948015646 /nfs/dbraw/zinc/01/56/46/948015646.db2.gz WVMXNXCFGSHPKS-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573659616 948015655 /nfs/dbraw/zinc/01/56/55/948015655.db2.gz WVMXNXCFGSHPKS-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573404178 948017602 /nfs/dbraw/zinc/01/76/02/948017602.db2.gz RHSFZEXLPHCMJU-DZGCQCFKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573404178 948017607 /nfs/dbraw/zinc/01/76/07/948017607.db2.gz RHSFZEXLPHCMJU-DZGCQCFKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573404342 948021788 /nfs/dbraw/zinc/02/17/88/948021788.db2.gz SEAQXHSJLCGVLF-GWCFXTLKSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573404342 948021794 /nfs/dbraw/zinc/02/17/94/948021794.db2.gz SEAQXHSJLCGVLF-GWCFXTLKSA-N -1 3 390.423 0.353 20 0 GCADHM C[C@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573662797 948027314 /nfs/dbraw/zinc/02/73/14/948027314.db2.gz GQXXUAPQRWJQMA-VOMCLLRMSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573662797 948027321 /nfs/dbraw/zinc/02/73/21/948027321.db2.gz GQXXUAPQRWJQMA-VOMCLLRMSA-N -1 3 383.416 0.277 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H]1C ZINC001573404588 948029866 /nfs/dbraw/zinc/02/98/66/948029866.db2.gz VHQWESHOINJSDH-YGRLFVJLSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H]1C ZINC001573404588 948029880 /nfs/dbraw/zinc/02/98/80/948029880.db2.gz VHQWESHOINJSDH-YGRLFVJLSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573404811 948032515 /nfs/dbraw/zinc/03/25/15/948032515.db2.gz WPONLSHCOXWHND-UONOGXRCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573404811 948032522 /nfs/dbraw/zinc/03/25/22/948032522.db2.gz WPONLSHCOXWHND-UONOGXRCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573404953 948036284 /nfs/dbraw/zinc/03/62/84/948036284.db2.gz LYPFSPAEZKJJIR-CQSZACIVSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573404953 948036291 /nfs/dbraw/zinc/03/62/91/948036291.db2.gz LYPFSPAEZKJJIR-CQSZACIVSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001573405253 948039682 /nfs/dbraw/zinc/03/96/82/948039682.db2.gz NNWSUJXJRZWNRP-GFCCVEGCSA-N -1 3 392.489 0.585 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573405192 948039926 /nfs/dbraw/zinc/03/99/26/948039926.db2.gz ZYLMNMRLZZRVPL-UONOGXRCSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573405192 948039934 /nfs/dbraw/zinc/03/99/34/948039934.db2.gz ZYLMNMRLZZRVPL-UONOGXRCSA-N -1 3 386.460 0.888 20 0 GCADHM Cc1onc(CC(=O)NC2CCN(Cc3ccccn3)CC2)c1-c1nnn[n-]1 ZINC000826346625 948043139 /nfs/dbraw/zinc/04/31/39/948043139.db2.gz RASQODBIQLYREP-UHFFFAOYSA-N -1 3 382.428 0.881 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001573405554 948044787 /nfs/dbraw/zinc/04/47/87/948044787.db2.gz TVRDBZBOGLCXAG-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001573405554 948044798 /nfs/dbraw/zinc/04/47/98/948044798.db2.gz TVRDBZBOGLCXAG-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@H](C(=O)NC1(CO)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573664063 948045597 /nfs/dbraw/zinc/04/55/97/948045597.db2.gz RQOLKCIXHUOWMI-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC1(CO)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573664063 948045608 /nfs/dbraw/zinc/04/56/08/948045608.db2.gz RQOLKCIXHUOWMI-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC1(CO)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573664062 948045786 /nfs/dbraw/zinc/04/57/86/948045786.db2.gz RQOLKCIXHUOWMI-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC1(CO)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573664062 948045790 /nfs/dbraw/zinc/04/57/90/948045790.db2.gz RQOLKCIXHUOWMI-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573664107 948049088 /nfs/dbraw/zinc/04/90/88/948049088.db2.gz BWKWWDKFXYOYAU-WCQYABFASA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573664107 948049098 /nfs/dbraw/zinc/04/90/98/948049098.db2.gz BWKWWDKFXYOYAU-WCQYABFASA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573664128 948049614 /nfs/dbraw/zinc/04/96/14/948049614.db2.gz CCWCJRBPWXMZNU-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573664128 948049621 /nfs/dbraw/zinc/04/96/21/948049621.db2.gz CCWCJRBPWXMZNU-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573664130 948049766 /nfs/dbraw/zinc/04/97/66/948049766.db2.gz CCWCJRBPWXMZNU-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573664130 948049771 /nfs/dbraw/zinc/04/97/71/948049771.db2.gz CCWCJRBPWXMZNU-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573664268 948050430 /nfs/dbraw/zinc/05/04/30/948050430.db2.gz SUFDKWCQCQZBDK-FIXISWKDSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573664268 948050436 /nfs/dbraw/zinc/05/04/36/948050436.db2.gz SUFDKWCQCQZBDK-FIXISWKDSA-N -1 3 384.444 0.008 20 0 GCADHM Cc1onc(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1-c1nnn[n-]1 ZINC000826347269 948051394 /nfs/dbraw/zinc/05/13/94/948051394.db2.gz LEAVEYSHLJAUPE-OAHLLOKOSA-N -1 3 397.439 0.723 20 0 GCADHM Cc1onc(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c1-c1nn[n-]n1 ZINC000826347269 948051400 /nfs/dbraw/zinc/05/14/00/948051400.db2.gz LEAVEYSHLJAUPE-OAHLLOKOSA-N -1 3 397.439 0.723 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573664411 948053368 /nfs/dbraw/zinc/05/33/68/948053368.db2.gz DEULGWLSUCQRNI-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573664411 948053376 /nfs/dbraw/zinc/05/33/76/948053376.db2.gz DEULGWLSUCQRNI-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573406590 948055358 /nfs/dbraw/zinc/05/53/58/948055358.db2.gz MLBFZEKXDBFWBY-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573406590 948055368 /nfs/dbraw/zinc/05/53/68/948055368.db2.gz MLBFZEKXDBFWBY-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573406591 948056425 /nfs/dbraw/zinc/05/64/25/948056425.db2.gz MNGOXPTUEDGFHN-HUUCEWRRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573406591 948056434 /nfs/dbraw/zinc/05/64/34/948056434.db2.gz MNGOXPTUEDGFHN-HUUCEWRRSA-N -1 3 386.460 0.888 20 0 GCADHM Cc1onc(CC(=O)NCc2cccnc2N2CCOCC2)c1-c1nnn[n-]1 ZINC000826347892 948062773 /nfs/dbraw/zinc/06/27/73/948062773.db2.gz KPUPZZWNQKXBMQ-UHFFFAOYSA-N -1 3 384.400 0.254 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1CN(c1ncccc1-c1nnn[n-]1)C2 ZINC001573408061 948063091 /nfs/dbraw/zinc/06/30/91/948063091.db2.gz AQVAPPLVGVOCTA-UGSOOPFHSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1CN(c1ncccc1-c1nn[n-]n1)C2 ZINC001573408061 948063100 /nfs/dbraw/zinc/06/31/00/948063100.db2.gz AQVAPPLVGVOCTA-UGSOOPFHSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573664881 948063193 /nfs/dbraw/zinc/06/31/93/948063193.db2.gz YSRCRDFSXXHYTP-PNESKVBLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573664881 948063201 /nfs/dbraw/zinc/06/32/01/948063201.db2.gz YSRCRDFSXXHYTP-PNESKVBLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@H]1CCCO1 ZINC001573665057 948066487 /nfs/dbraw/zinc/06/64/87/948066487.db2.gz IBOABGWHBMBEOZ-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@H]1CCCO1 ZINC001573665057 948066497 /nfs/dbraw/zinc/06/64/97/948066497.db2.gz IBOABGWHBMBEOZ-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573409660 948074009 /nfs/dbraw/zinc/07/40/09/948074009.db2.gz VCJKPWXKDCCURG-QWRGUYRKSA-N -1 3 390.448 0.076 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573409660 948074017 /nfs/dbraw/zinc/07/40/17/948074017.db2.gz VCJKPWXKDCCURG-QWRGUYRKSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573665510 948074778 /nfs/dbraw/zinc/07/47/78/948074778.db2.gz LWVOTOWYZDCCJS-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573665510 948074788 /nfs/dbraw/zinc/07/47/88/948074788.db2.gz LWVOTOWYZDCCJS-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573666172 948081813 /nfs/dbraw/zinc/08/18/13/948081813.db2.gz PWQPTSLGUGFJMK-JQWIXIFHSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573666172 948081826 /nfs/dbraw/zinc/08/18/26/948081826.db2.gz PWQPTSLGUGFJMK-JQWIXIFHSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573666258 948084109 /nfs/dbraw/zinc/08/41/09/948084109.db2.gz RQUIMMSSUUSUDX-RISCZKNCSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573666258 948084121 /nfs/dbraw/zinc/08/41/21/948084121.db2.gz RQUIMMSSUUSUDX-RISCZKNCSA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C(C)(C)C2)C1 ZINC001573413777 948085526 /nfs/dbraw/zinc/08/55/26/948085526.db2.gz GBSGBZDERSTCHB-HNNXBMFYSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C(C)(C)C2)C1 ZINC001573413777 948085533 /nfs/dbraw/zinc/08/55/33/948085533.db2.gz GBSGBZDERSTCHB-HNNXBMFYSA-N -1 3 384.444 0.389 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573666645 948088811 /nfs/dbraw/zinc/08/88/11/948088811.db2.gz UTJLCTQKLXXOME-RYUDHWBXSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573666645 948088821 /nfs/dbraw/zinc/08/88/21/948088821.db2.gz UTJLCTQKLXXOME-RYUDHWBXSA-N -1 3 385.407 0.944 20 0 GCADHM CC(=O)N(CCc1ccccc1)CC(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001573414049 948088712 /nfs/dbraw/zinc/08/87/12/948088712.db2.gz GVTRPYMIPMODOV-UHFFFAOYSA-N -1 3 379.424 0.969 20 0 GCADHM CC(=O)N(CCc1ccccc1)CC(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001573414049 948088719 /nfs/dbraw/zinc/08/87/19/948088719.db2.gz GVTRPYMIPMODOV-UHFFFAOYSA-N -1 3 379.424 0.969 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573414083 948088830 /nfs/dbraw/zinc/08/88/30/948088830.db2.gz HDXMOEVFIBFVET-UHFFFAOYSA-N -1 3 392.489 0.395 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573414091 948090235 /nfs/dbraw/zinc/09/02/35/948090235.db2.gz HFODLCPICUDSNX-UHFFFAOYSA-N -1 3 389.435 0.769 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573414091 948090246 /nfs/dbraw/zinc/09/02/46/948090246.db2.gz HFODLCPICUDSNX-UHFFFAOYSA-N -1 3 389.435 0.769 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)[C@@H](C)C2)C1 ZINC001573414401 948092523 /nfs/dbraw/zinc/09/25/23/948092523.db2.gz LPIILSNVMYTJFJ-NHYWBVRUSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)[C@@H](C)C2)C1 ZINC001573414401 948092531 /nfs/dbraw/zinc/09/25/31/948092531.db2.gz LPIILSNVMYTJFJ-NHYWBVRUSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573414539 948094482 /nfs/dbraw/zinc/09/44/82/948094482.db2.gz NYOMEZUQLLAAFX-LLVKDONJSA-N -1 3 388.407 0.140 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573414539 948094494 /nfs/dbraw/zinc/09/44/94/948094494.db2.gz NYOMEZUQLLAAFX-LLVKDONJSA-N -1 3 388.407 0.140 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C(C)(C)C2)C1 ZINC001573414484 948094681 /nfs/dbraw/zinc/09/46/81/948094681.db2.gz MYCJEJBBGDFJOJ-AWEZNQCLSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C(C)(C)C2)C1 ZINC001573414484 948094693 /nfs/dbraw/zinc/09/46/93/948094693.db2.gz MYCJEJBBGDFJOJ-AWEZNQCLSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573414519 948096136 /nfs/dbraw/zinc/09/61/36/948096136.db2.gz NPXQUHLRZDGDGM-ZDUSSCGKSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573414519 948096148 /nfs/dbraw/zinc/09/61/48/948096148.db2.gz NPXQUHLRZDGDGM-ZDUSSCGKSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3snc(C)c3-c3nnn[n-]3)[C@@H](C)C2)C1 ZINC001573414820 948100249 /nfs/dbraw/zinc/10/02/49/948100249.db2.gz QFBNIGBZCKTFMN-UFBFGSQYSA-N -1 3 390.473 0.369 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)n1cncn1 ZINC001573670744 948103355 /nfs/dbraw/zinc/10/33/55/948103355.db2.gz DCWQMEBGXWELBB-RISCZKNCSA-N -1 3 385.407 0.549 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)c3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573415169 948103499 /nfs/dbraw/zinc/10/34/99/948103499.db2.gz VOCCIDODTWRROV-LBPRGKRZSA-N -1 3 390.473 0.147 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573670639 948104170 /nfs/dbraw/zinc/10/41/70/948104170.db2.gz CPCLHUSICIDXIS-DGCLKSJQSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573670639 948104179 /nfs/dbraw/zinc/10/41/79/948104179.db2.gz CPCLHUSICIDXIS-DGCLKSJQSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573671311 948105668 /nfs/dbraw/zinc/10/56/68/948105668.db2.gz DKCWBJJYWBAIGZ-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573671311 948105673 /nfs/dbraw/zinc/10/56/73/948105673.db2.gz DKCWBJJYWBAIGZ-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)c1cnn(C)c1 ZINC001573670756 948105737 /nfs/dbraw/zinc/10/57/37/948105737.db2.gz DEJWQCLCBUFPHE-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)c1cnn(C)c1 ZINC001573670756 948105739 /nfs/dbraw/zinc/10/57/39/948105739.db2.gz DEJWQCLCBUFPHE-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(Nc3nc(C)ccc3-c3nnn[n-]3)CC2)C1 ZINC001573415404 948107330 /nfs/dbraw/zinc/10/73/30/948107330.db2.gz ZSIOGKBPTQTKRD-UHFFFAOYSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(Nc3nc(C)ccc3-c3nn[n-]n3)CC2)C1 ZINC001573415404 948107336 /nfs/dbraw/zinc/10/73/36/948107336.db2.gz ZSIOGKBPTQTKRD-UHFFFAOYSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573415359 948107623 /nfs/dbraw/zinc/10/76/23/948107623.db2.gz YIBZQKKXUFWYOR-UHFFFAOYSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573415359 948107626 /nfs/dbraw/zinc/10/76/26/948107626.db2.gz YIBZQKKXUFWYOR-UHFFFAOYSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001573671381 948107685 /nfs/dbraw/zinc/10/76/85/948107685.db2.gz FTPZVKBNMIJTBR-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001573671381 948107690 /nfs/dbraw/zinc/10/76/90/948107690.db2.gz FTPZVKBNMIJTBR-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM Cn1c(SCc2cc(=O)n3ncc(-c4nnn[n-]4)c3[nH]2)nnc1C(F)F ZINC000826356449 948111244 /nfs/dbraw/zinc/11/12/44/948111244.db2.gz RDXYLVRANQJMAF-UHFFFAOYSA-N -1 3 380.344 0.973 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573415645 948112068 /nfs/dbraw/zinc/11/20/68/948112068.db2.gz ZNANVGREUKEMEX-UHFFFAOYSA-N -1 3 390.423 0.164 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCCN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573415645 948112069 /nfs/dbraw/zinc/11/20/69/948112069.db2.gz ZNANVGREUKEMEX-UHFFFAOYSA-N -1 3 390.423 0.164 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573418136 948113574 /nfs/dbraw/zinc/11/35/74/948113574.db2.gz CVDISZVQIZDYHF-HNNXBMFYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573418136 948113583 /nfs/dbraw/zinc/11/35/83/948113583.db2.gz CVDISZVQIZDYHF-HNNXBMFYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)[C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573418278 948117457 /nfs/dbraw/zinc/11/74/57/948117457.db2.gz FUKLVWGYMFQOKU-JGVFFNPUSA-N -1 3 378.462 0.415 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C2CC2)C1 ZINC001573419666 948124896 /nfs/dbraw/zinc/12/48/96/948124896.db2.gz OUSIICFHHPUURY-HNNXBMFYSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C2CC2)C1 ZINC001573419666 948124902 /nfs/dbraw/zinc/12/49/02/948124902.db2.gz OUSIICFHHPUURY-HNNXBMFYSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NC2CC(CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573419717 948126980 /nfs/dbraw/zinc/12/69/80/948126980.db2.gz QCMFBQRYIZTXLH-UHFFFAOYSA-N -1 3 388.407 0.186 20 0 GCADHM CC(=O)N1CC(C(=O)NC2CC(CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573419717 948126988 /nfs/dbraw/zinc/12/69/88/948126988.db2.gz QCMFBQRYIZTXLH-UHFFFAOYSA-N -1 3 388.407 0.186 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573419744 948127265 /nfs/dbraw/zinc/12/72/65/948127265.db2.gz QXFDQELDOYTIAJ-DTWKUNHWSA-N -1 3 376.396 0.184 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573419744 948127271 /nfs/dbraw/zinc/12/72/71/948127271.db2.gz QXFDQELDOYTIAJ-DTWKUNHWSA-N -1 3 376.396 0.184 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573419764 948127342 /nfs/dbraw/zinc/12/73/42/948127342.db2.gz RJOCKBQSXGXMOL-QMMMGPOBSA-N -1 3 378.462 0.051 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573419784 948128530 /nfs/dbraw/zinc/12/85/30/948128530.db2.gz SFMZJXKDRBNJIS-DOMZBBRYSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573419784 948128535 /nfs/dbraw/zinc/12/85/35/948128535.db2.gz SFMZJXKDRBNJIS-DOMZBBRYSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573419787 948128701 /nfs/dbraw/zinc/12/87/01/948128701.db2.gz SFMZJXKDRBNJIS-WFASDCNBSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573419787 948128708 /nfs/dbraw/zinc/12/87/08/948128708.db2.gz SFMZJXKDRBNJIS-WFASDCNBSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573419854 948131681 /nfs/dbraw/zinc/13/16/81/948131681.db2.gz UJJIDWGMVIPECI-WFASDCNBSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573419854 948131683 /nfs/dbraw/zinc/13/16/83/948131683.db2.gz UJJIDWGMVIPECI-WFASDCNBSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573677420 948135348 /nfs/dbraw/zinc/13/53/48/948135348.db2.gz AHSMUIFSEGOXLY-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573677420 948135355 /nfs/dbraw/zinc/13/53/55/948135355.db2.gz AHSMUIFSEGOXLY-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573677423 948136326 /nfs/dbraw/zinc/13/63/26/948136326.db2.gz AHSMUIFSEGOXLY-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573677423 948136333 /nfs/dbraw/zinc/13/63/33/948136333.db2.gz AHSMUIFSEGOXLY-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM Cn1ccc(CC(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)n1 ZINC000826363050 948137301 /nfs/dbraw/zinc/13/73/01/948137301.db2.gz UTQDQCCYCJGXIU-UHFFFAOYSA-N -1 3 382.428 0.743 20 0 GCADHM Cn1ccc(CC(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)n1 ZINC000826363050 948137306 /nfs/dbraw/zinc/13/73/06/948137306.db2.gz UTQDQCCYCJGXIU-UHFFFAOYSA-N -1 3 382.428 0.743 20 0 GCADHM CC(=O)N1C[C@H](C(=O)NCc2cncc(-c3nnn[n-]3)c2)Oc2ccccc21 ZINC001573422204 948139397 /nfs/dbraw/zinc/13/93/97/948139397.db2.gz IKRFEQSSPXYOGI-MRXNPFEDSA-N -1 3 379.380 0.692 20 0 GCADHM CC(=O)N1C[C@H](C(=O)NCc2cncc(-c3nn[n-]n3)c2)Oc2ccccc21 ZINC001573422204 948139403 /nfs/dbraw/zinc/13/94/03/948139403.db2.gz IKRFEQSSPXYOGI-MRXNPFEDSA-N -1 3 379.380 0.692 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C(C)C)C1 ZINC001573421661 948139519 /nfs/dbraw/zinc/13/95/19/948139519.db2.gz HRGIWOVDNQYSJW-OAHLLOKOSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C(C)C)C1 ZINC001573421661 948139527 /nfs/dbraw/zinc/13/95/27/948139527.db2.gz HRGIWOVDNQYSJW-OAHLLOKOSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2C[C@H](Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573422211 948140383 /nfs/dbraw/zinc/14/03/83/948140383.db2.gz IQCZEGMVFMTDPF-UMSPYCQHSA-N -1 3 390.473 0.417 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)cc2)c1=O ZINC000826365064 948141615 /nfs/dbraw/zinc/14/16/15/948141615.db2.gz AACYGKCJIUIMBK-UHFFFAOYSA-N -1 3 391.395 0.802 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573423104 948143417 /nfs/dbraw/zinc/14/34/17/948143417.db2.gz NUYHQVXFGGBALW-UHFFFAOYSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573423104 948143425 /nfs/dbraw/zinc/14/34/25/948143425.db2.gz NUYHQVXFGGBALW-UHFFFAOYSA-N -1 3 384.444 0.073 20 0 GCADHM C[C@H](C(=O)N[C@H]1COC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1)C1CC1 ZINC001573677841 948143854 /nfs/dbraw/zinc/14/38/54/948143854.db2.gz FQFDURVODUAIIP-CMPLNLGQSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N[C@H]1COC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1)C1CC1 ZINC001573677841 948143857 /nfs/dbraw/zinc/14/38/57/948143857.db2.gz FQFDURVODUAIIP-CMPLNLGQSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1)C1CC1 ZINC001573677844 948144047 /nfs/dbraw/zinc/14/40/47/948144047.db2.gz FQFDURVODUAIIP-ZYHUDNBSSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1)C1CC1 ZINC001573677844 948144053 /nfs/dbraw/zinc/14/40/53/948144053.db2.gz FQFDURVODUAIIP-ZYHUDNBSSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573677951 948144317 /nfs/dbraw/zinc/14/43/17/948144317.db2.gz BOGCEJBCVIKLHG-PWSUYJOCSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573677951 948144324 /nfs/dbraw/zinc/14/43/24/948144324.db2.gz BOGCEJBCVIKLHG-PWSUYJOCSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573677958 948145272 /nfs/dbraw/zinc/14/52/72/948145272.db2.gz ZJVNBWNPRWXZOE-UWVGGRQHSA-N -1 3 382.421 0.134 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573677958 948145274 /nfs/dbraw/zinc/14/52/74/948145274.db2.gz ZJVNBWNPRWXZOE-UWVGGRQHSA-N -1 3 382.421 0.134 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573423899 948146212 /nfs/dbraw/zinc/14/62/12/948146212.db2.gz RAHQIGSGEFGLDH-GFCCVEGCSA-N -1 3 375.458 0.097 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573423899 948146215 /nfs/dbraw/zinc/14/62/15/948146215.db2.gz RAHQIGSGEFGLDH-GFCCVEGCSA-N -1 3 375.458 0.097 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C2CC2)C1 ZINC001573424240 948147182 /nfs/dbraw/zinc/14/71/82/948147182.db2.gz UUWHHRSJKYOPBW-CQSZACIVSA-N -1 3 388.407 0.186 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C2CC2)C1 ZINC001573424240 948147185 /nfs/dbraw/zinc/14/71/85/948147185.db2.gz UUWHHRSJKYOPBW-CQSZACIVSA-N -1 3 388.407 0.186 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573425930 948153022 /nfs/dbraw/zinc/15/30/22/948153022.db2.gz FKIRBSJVWFLOBT-PRHODGIISA-N -1 3 390.473 0.051 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)c1cccnc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573678804 948155284 /nfs/dbraw/zinc/15/52/84/948155284.db2.gz JBKQGKWMSSEUGB-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)c1cccnc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573678804 948155293 /nfs/dbraw/zinc/15/52/93/948155293.db2.gz JBKQGKWMSSEUGB-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)[C@@H]2C)C1 ZINC001573426359 948155328 /nfs/dbraw/zinc/15/53/28/948155328.db2.gz ISHXRBNVTHIINQ-YGRLFVJLSA-N -1 3 387.419 0.568 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)[C@@H]2C)C1 ZINC001573426359 948155334 /nfs/dbraw/zinc/15/53/34/948155334.db2.gz ISHXRBNVTHIINQ-YGRLFVJLSA-N -1 3 387.419 0.568 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1)[C@H]1CCC(=O)N1 ZINC001573679188 948158633 /nfs/dbraw/zinc/15/86/33/948158633.db2.gz JSIAPWYARPBYIZ-ZUZCIYMTSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@H]1CCC(=O)N1 ZINC001573679188 948158639 /nfs/dbraw/zinc/15/86/39/948158639.db2.gz JSIAPWYARPBYIZ-ZUZCIYMTSA-N -1 3 387.419 0.221 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4-c4nnn[n-]4)C[C@H]32)C1 ZINC001573427392 948164106 /nfs/dbraw/zinc/16/41/06/948164106.db2.gz XIKXMQCFVVFWIC-ATCWAGBWSA-N -1 3 385.403 0.035 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4-c4nn[n-]n4)C[C@H]32)C1 ZINC001573427392 948164110 /nfs/dbraw/zinc/16/41/10/948164110.db2.gz XIKXMQCFVVFWIC-ATCWAGBWSA-N -1 3 385.403 0.035 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573429397 948171723 /nfs/dbraw/zinc/17/17/23/948171723.db2.gz IBUINZANZRNLNU-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573429397 948171729 /nfs/dbraw/zinc/17/17/29/948171729.db2.gz IBUINZANZRNLNU-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573680393 948178767 /nfs/dbraw/zinc/17/87/67/948178767.db2.gz NRRYPFOQIVAHLQ-JQWIXIFHSA-N -1 3 388.407 0.432 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573680393 948178770 /nfs/dbraw/zinc/17/87/70/948178770.db2.gz NRRYPFOQIVAHLQ-JQWIXIFHSA-N -1 3 388.407 0.432 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001573431034 948179617 /nfs/dbraw/zinc/17/96/17/948179617.db2.gz UMXDBQATALEAOE-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001573431034 948179621 /nfs/dbraw/zinc/17/96/21/948179621.db2.gz UMXDBQATALEAOE-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573431858 948182048 /nfs/dbraw/zinc/18/20/48/948182048.db2.gz AGUAYLUMISCDKE-MRXNPFEDSA-N -1 3 392.489 0.443 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl)n1cccn1 ZINC001573680646 948184752 /nfs/dbraw/zinc/18/47/52/948184752.db2.gz PBZRORKNRZMGJS-GXSJLCMTSA-N -1 3 391.823 0.262 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl)n1cccn1 ZINC001573680646 948184755 /nfs/dbraw/zinc/18/47/55/948184755.db2.gz PBZRORKNRZMGJS-GXSJLCMTSA-N -1 3 391.823 0.262 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432168 948186958 /nfs/dbraw/zinc/18/69/58/948186958.db2.gz FKUNBYNFLCGZQE-KPZWWZAWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432168 948186963 /nfs/dbraw/zinc/18/69/63/948186963.db2.gz FKUNBYNFLCGZQE-KPZWWZAWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432502 948189124 /nfs/dbraw/zinc/18/91/24/948189124.db2.gz GQKJRZSZRSFORT-KPZWWZAWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432502 948189130 /nfs/dbraw/zinc/18/91/30/948189130.db2.gz GQKJRZSZRSFORT-KPZWWZAWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432509 948189292 /nfs/dbraw/zinc/18/92/92/948189292.db2.gz GQKJRZSZRSFORT-SGTLLEGYSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432509 948189295 /nfs/dbraw/zinc/18/92/95/948189295.db2.gz GQKJRZSZRSFORT-SGTLLEGYSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573432525 948189961 /nfs/dbraw/zinc/18/99/61/948189961.db2.gz GQTJOHICPCDLOU-SGTLLEGYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573432525 948189968 /nfs/dbraw/zinc/18/99/68/948189968.db2.gz GQTJOHICPCDLOU-SGTLLEGYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573432610 948191025 /nfs/dbraw/zinc/19/10/25/948191025.db2.gz HHRPXSJQYBRMGS-BBATYDOGSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573432610 948191030 /nfs/dbraw/zinc/19/10/30/948191030.db2.gz HHRPXSJQYBRMGS-BBATYDOGSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573680974 948191723 /nfs/dbraw/zinc/19/17/23/948191723.db2.gz TYLKHVCROMWXGD-MEBBXXQBSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573680974 948191729 /nfs/dbraw/zinc/19/17/29/948191729.db2.gz TYLKHVCROMWXGD-MEBBXXQBSA-N -1 3 387.419 0.221 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573432928 948195620 /nfs/dbraw/zinc/19/56/20/948195620.db2.gz ITRKTYDQPAVSPY-LXIYXOSZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573432928 948195626 /nfs/dbraw/zinc/19/56/26/948195626.db2.gz ITRKTYDQPAVSPY-LXIYXOSZSA-N -1 3 384.444 0.579 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826391233 948198143 /nfs/dbraw/zinc/19/81/43/948198143.db2.gz BJZCMEVCZMCRHG-UHFFFAOYSA-N -1 3 382.380 0.540 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826391233 948198150 /nfs/dbraw/zinc/19/81/50/948198150.db2.gz BJZCMEVCZMCRHG-UHFFFAOYSA-N -1 3 382.380 0.540 20 0 GCADHM NC(=O)CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826391616 948198573 /nfs/dbraw/zinc/19/85/73/948198573.db2.gz TYKNTZBSYHFZIL-UHFFFAOYSA-N -1 3 375.780 0.703 20 0 GCADHM NC(=O)CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826391616 948198578 /nfs/dbraw/zinc/19/85/78/948198578.db2.gz TYKNTZBSYHFZIL-UHFFFAOYSA-N -1 3 375.780 0.703 20 0 GCADHM NC(=O)CCC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826390856 948198677 /nfs/dbraw/zinc/19/86/77/948198677.db2.gz OWMGZEFWLVRUSW-UHFFFAOYSA-N -1 3 389.391 0.448 20 0 GCADHM NC(=O)CCC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826390856 948198683 /nfs/dbraw/zinc/19/86/83/948198683.db2.gz OWMGZEFWLVRUSW-UHFFFAOYSA-N -1 3 389.391 0.448 20 0 GCADHM NC(=O)CSCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826391425 948198936 /nfs/dbraw/zinc/19/89/36/948198936.db2.gz KIXCYSVNWRBPAL-UHFFFAOYSA-N -1 3 392.832 0.863 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573681283 948199692 /nfs/dbraw/zinc/19/96/92/948199692.db2.gz UHYPWFFKPNHNKT-SCZZXKLOSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573681283 948199696 /nfs/dbraw/zinc/19/96/96/948199696.db2.gz UHYPWFFKPNHNKT-SCZZXKLOSA-N -1 3 385.375 0.035 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573433342 948199842 /nfs/dbraw/zinc/19/98/42/948199842.db2.gz KBTPZWXPFVEJBM-KPZWWZAWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573433342 948199846 /nfs/dbraw/zinc/19/98/46/948199846.db2.gz KBTPZWXPFVEJBM-KPZWWZAWSA-N -1 3 386.460 0.461 20 0 GCADHM NC(=O)N1CCC[C@H](C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)C1 ZINC000826392290 948200413 /nfs/dbraw/zinc/20/04/13/948200413.db2.gz SVUOHLRHFDEJJM-ZDUSSCGKSA-N -1 3 395.427 0.664 20 0 GCADHM NC(=O)N1CCC[C@H](C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)C1 ZINC000826392290 948200417 /nfs/dbraw/zinc/20/04/17/948200417.db2.gz SVUOHLRHFDEJJM-ZDUSSCGKSA-N -1 3 395.427 0.664 20 0 GCADHM NS(=O)(=O)c1cnc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000826394907 948203085 /nfs/dbraw/zinc/20/30/85/948203085.db2.gz DOCYGFVRTCCXTJ-LLVKDONJSA-N -1 3 393.454 0.549 20 0 GCADHM CC(=O)N1CCC(CO[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001573433547 948204192 /nfs/dbraw/zinc/20/41/92/948204192.db2.gz MAFOCNUUVOJIHY-OAHLLOKOSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CCC(CO[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001573433547 948204200 /nfs/dbraw/zinc/20/42/00/948204200.db2.gz MAFOCNUUVOJIHY-OAHLLOKOSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1)C1CC1 ZINC001573681670 948209640 /nfs/dbraw/zinc/20/96/40/948209640.db2.gz YRVWSAYKGKVIJL-MFKMUULPSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1)C1CC1 ZINC001573681670 948209647 /nfs/dbraw/zinc/20/96/47/948209647.db2.gz YRVWSAYKGKVIJL-MFKMUULPSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N[C@H]1COC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1)C1CC1 ZINC001573681669 948210754 /nfs/dbraw/zinc/21/07/54/948210754.db2.gz YRVWSAYKGKVIJL-GXFFZTMASA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N[C@H]1COC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1)C1CC1 ZINC001573681669 948210765 /nfs/dbraw/zinc/21/07/65/948210765.db2.gz YRVWSAYKGKVIJL-GXFFZTMASA-N -1 3 385.428 0.341 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573434299 948212958 /nfs/dbraw/zinc/21/29/58/948212958.db2.gz PYYVFQUTTQKPIH-GOSISDBHSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573434299 948212963 /nfs/dbraw/zinc/21/29/63/948212963.db2.gz PYYVFQUTTQKPIH-GOSISDBHSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573434582 948217491 /nfs/dbraw/zinc/21/74/91/948217491.db2.gz QQZLEKPWZJBJGZ-XIKOKIGWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573434582 948217498 /nfs/dbraw/zinc/21/74/98/948217498.db2.gz QQZLEKPWZJBJGZ-XIKOKIGWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573434996 948223215 /nfs/dbraw/zinc/22/32/15/948223215.db2.gz UPBDBLKEPRSHHT-SFHVURJKSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573434996 948223224 /nfs/dbraw/zinc/22/32/24/948223224.db2.gz UPBDBLKEPRSHHT-SFHVURJKSA-N -1 3 384.444 0.169 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573690756 948227220 /nfs/dbraw/zinc/22/72/20/948227220.db2.gz ATAGCPIFDHPPIG-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573690756 948227227 /nfs/dbraw/zinc/22/72/27/948227227.db2.gz ATAGCPIFDHPPIG-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573435446 948228384 /nfs/dbraw/zinc/22/83/84/948228384.db2.gz WWRFGCLDJLMGEH-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573435446 948228394 /nfs/dbraw/zinc/22/83/94/948228394.db2.gz WWRFGCLDJLMGEH-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573435673 948233818 /nfs/dbraw/zinc/23/38/18/948233818.db2.gz ZALIQSUAWLURHN-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573435673 948233824 /nfs/dbraw/zinc/23/38/24/948233824.db2.gz ZALIQSUAWLURHN-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCC(=O)N1CCOCC1 ZINC000826406113 948234586 /nfs/dbraw/zinc/23/45/86/948234586.db2.gz IPDTXNQMZPYCHE-UHFFFAOYSA-N -1 3 388.428 0.391 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCC(=O)N1CCOCC1 ZINC000826406113 948234595 /nfs/dbraw/zinc/23/45/95/948234595.db2.gz IPDTXNQMZPYCHE-UHFFFAOYSA-N -1 3 388.428 0.391 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573438618 948236502 /nfs/dbraw/zinc/23/65/02/948236502.db2.gz DCDDHRLILMPXDG-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573438618 948236517 /nfs/dbraw/zinc/23/65/17/948236517.db2.gz DCDDHRLILMPXDG-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573439201 948244666 /nfs/dbraw/zinc/24/46/66/948244666.db2.gz JLBUJPYBRCTXQM-AWEZNQCLSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573439201 948244672 /nfs/dbraw/zinc/24/46/72/948244672.db2.gz JLBUJPYBRCTXQM-AWEZNQCLSA-N -1 3 386.460 0.415 20 0 GCADHM O=C(CN1CCOCC1)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826410943 948246539 /nfs/dbraw/zinc/24/65/39/948246539.db2.gz FCDHCBBFLPUYHT-HNNXBMFYSA-N -1 3 386.412 0.238 20 0 GCADHM O=C(CN1CCOCC1)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826410943 948246550 /nfs/dbraw/zinc/24/65/50/948246550.db2.gz FCDHCBBFLPUYHT-HNNXBMFYSA-N -1 3 386.412 0.238 20 0 GCADHM O=C(CN1CCc2ccccc21)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826411798 948249477 /nfs/dbraw/zinc/24/94/77/948249477.db2.gz NZAJRNXLWLHSSJ-UHFFFAOYSA-N -1 3 390.451 0.973 20 0 GCADHM O=C(CN1CCc2ccccc21)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826411798 948249487 /nfs/dbraw/zinc/24/94/87/948249487.db2.gz NZAJRNXLWLHSSJ-UHFFFAOYSA-N -1 3 390.451 0.973 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573691882 948250768 /nfs/dbraw/zinc/25/07/68/948250768.db2.gz KUTYAOZRVMXYJK-GXFFZTMASA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573691882 948250774 /nfs/dbraw/zinc/25/07/74/948250774.db2.gz KUTYAOZRVMXYJK-GXFFZTMASA-N -1 3 375.433 0.228 20 0 GCADHM O=C(CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21)N1CCOCC1 ZINC000826412933 948251451 /nfs/dbraw/zinc/25/14/51/948251451.db2.gz KAOMDVSHGNLBJY-UHFFFAOYSA-N -1 3 391.794 0.900 20 0 GCADHM O=C(CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21)N1CCOCC1 ZINC000826412933 948251456 /nfs/dbraw/zinc/25/14/56/948251456.db2.gz KAOMDVSHGNLBJY-UHFFFAOYSA-N -1 3 391.794 0.900 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000826413919 948253730 /nfs/dbraw/zinc/25/37/30/948253730.db2.gz WSASCOWHKDPYIK-ZDUSSCGKSA-N -1 3 378.396 0.595 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000826413919 948253735 /nfs/dbraw/zinc/25/37/35/948253735.db2.gz WSASCOWHKDPYIK-ZDUSSCGKSA-N -1 3 378.396 0.595 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573692139 948256559 /nfs/dbraw/zinc/25/65/59/948256559.db2.gz MMGKWYUKGHRPRM-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573692139 948256566 /nfs/dbraw/zinc/25/65/66/948256566.db2.gz MMGKWYUKGHRPRM-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccs1 ZINC001573692493 948265960 /nfs/dbraw/zinc/26/59/60/948265960.db2.gz PFNJWTZPOWOCGM-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccs1 ZINC001573692493 948265972 /nfs/dbraw/zinc/26/59/72/948265972.db2.gz PFNJWTZPOWOCGM-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM O=C(Cc1ccc(OCCOc2cccc(-c3nnn[n-]3)c2)cc1)NCCO ZINC000826422610 948269089 /nfs/dbraw/zinc/26/90/89/948269089.db2.gz GAECLCWMTNIYMC-UHFFFAOYSA-N -1 3 383.408 0.976 20 0 GCADHM O=C(Cc1ccc(OCCOc2cccc(-c3nn[n-]n3)c2)cc1)NCCO ZINC000826422610 948269097 /nfs/dbraw/zinc/26/90/97/948269097.db2.gz GAECLCWMTNIYMC-UHFFFAOYSA-N -1 3 383.408 0.976 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573692943 948273565 /nfs/dbraw/zinc/27/35/65/948273565.db2.gz TWBJUAKLFDTZFE-JQWIXIFHSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573692943 948273569 /nfs/dbraw/zinc/27/35/69/948273569.db2.gz TWBJUAKLFDTZFE-JQWIXIFHSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1)[C@@H]1CCC(=O)N1 ZINC001573693014 948276777 /nfs/dbraw/zinc/27/67/77/948276777.db2.gz UOIKQFJULQIBRL-SKDRFNHKSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1)[C@@H]1CCC(=O)N1 ZINC001573693014 948276788 /nfs/dbraw/zinc/27/67/88/948276788.db2.gz UOIKQFJULQIBRL-SKDRFNHKSA-N -1 3 388.407 0.376 20 0 GCADHM CC(=O)N1CCC[C@@H](N2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2=O)C1 ZINC001573441979 948280810 /nfs/dbraw/zinc/28/08/10/948280810.db2.gz DTBLQEXDSSGMEP-CQSZACIVSA-N -1 3 384.444 0.230 20 0 GCADHM CC(=O)N1CCC[C@@H](N2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2=O)C1 ZINC001573441979 948280818 /nfs/dbraw/zinc/28/08/18/948280818.db2.gz DTBLQEXDSSGMEP-CQSZACIVSA-N -1 3 384.444 0.230 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573442018 948283368 /nfs/dbraw/zinc/28/33/68/948283368.db2.gz QGKPLGRQTWZJIY-BXKDBHETSA-N -1 3 392.489 0.901 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCCO1 ZINC001573694267 948292607 /nfs/dbraw/zinc/29/26/07/948292607.db2.gz CAFNIIWMTNFHEV-AAEUAGOBSA-N -1 3 392.485 0.406 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573442416 948293396 /nfs/dbraw/zinc/29/33/96/948293396.db2.gz IBFBYAHVDPKMFC-KBPBESRZSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573442416 948293405 /nfs/dbraw/zinc/29/34/05/948293405.db2.gz IBFBYAHVDPKMFC-KBPBESRZSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cccnc1 ZINC001573694445 948293564 /nfs/dbraw/zinc/29/35/64/948293564.db2.gz VRRBLUOPUFZMDU-LLVKDONJSA-N -1 3 380.412 0.772 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cccnc1 ZINC001573694445 948293569 /nfs/dbraw/zinc/29/35/69/948293569.db2.gz VRRBLUOPUFZMDU-LLVKDONJSA-N -1 3 380.412 0.772 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573442437 948294327 /nfs/dbraw/zinc/29/43/27/948294327.db2.gz VZNGIJRQXXUZFJ-XHDPSFHLSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573442437 948294336 /nfs/dbraw/zinc/29/43/36/948294336.db2.gz VZNGIJRQXXUZFJ-XHDPSFHLSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573442418 948294524 /nfs/dbraw/zinc/29/45/24/948294524.db2.gz IBFBYAHVDPKMFC-UONOGXRCSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573442418 948294533 /nfs/dbraw/zinc/29/45/33/948294533.db2.gz IBFBYAHVDPKMFC-UONOGXRCSA-N -1 3 384.444 0.215 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCCCS1(=O)=O ZINC000826438608 948295889 /nfs/dbraw/zinc/29/58/89/948295889.db2.gz JVRAXTVHLRIABD-AWEZNQCLSA-N -1 3 394.457 0.512 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442695 948297952 /nfs/dbraw/zinc/29/79/52/948297952.db2.gz KBAWHJKKOQRKHX-SWLSCSKDSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442695 948297962 /nfs/dbraw/zinc/29/79/62/948297962.db2.gz KBAWHJKKOQRKHX-SWLSCSKDSA-N -1 3 386.460 0.684 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)(F)F ZINC001573694705 948298836 /nfs/dbraw/zinc/29/88/36/948298836.db2.gz DAPQYLSXOVLKTL-QFYYESIMSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)(F)F ZINC001573694705 948298846 /nfs/dbraw/zinc/29/88/46/948298846.db2.gz DAPQYLSXOVLKTL-QFYYESIMSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573695274 948302049 /nfs/dbraw/zinc/30/20/49/948302049.db2.gz FYADBBHMXJIPOD-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573695274 948302057 /nfs/dbraw/zinc/30/20/57/948302057.db2.gz FYADBBHMXJIPOD-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573444122 948312951 /nfs/dbraw/zinc/31/29/51/948312951.db2.gz RKDPTTVATVEJJI-OCCSQVGLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573444122 948312955 /nfs/dbraw/zinc/31/29/55/948312955.db2.gz RKDPTTVATVEJJI-OCCSQVGLSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573695962 948313507 /nfs/dbraw/zinc/31/35/07/948313507.db2.gz ZDHCNDOBRYJRRW-CMPLNLGQSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573695962 948313517 /nfs/dbraw/zinc/31/35/17/948313517.db2.gz ZDHCNDOBRYJRRW-CMPLNLGQSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573695965 948314290 /nfs/dbraw/zinc/31/42/90/948314290.db2.gz ZDHCNDOBRYJRRW-JQWIXIFHSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573695965 948314298 /nfs/dbraw/zinc/31/42/98/948314298.db2.gz ZDHCNDOBRYJRRW-JQWIXIFHSA-N -1 3 377.449 0.426 20 0 GCADHM CC(C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)=C1CCCC1 ZINC001573696048 948315415 /nfs/dbraw/zinc/31/54/15/948315415.db2.gz ZUCVKTQMKBQFDP-AWEZNQCLSA-N -1 3 387.444 0.634 20 0 GCADHM CC(C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)=C1CCCC1 ZINC001573696048 948315417 /nfs/dbraw/zinc/31/54/17/948315417.db2.gz ZUCVKTQMKBQFDP-AWEZNQCLSA-N -1 3 387.444 0.634 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573696160 948318173 /nfs/dbraw/zinc/31/81/73/948318173.db2.gz LQFYSSUYHSPLAO-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573696160 948318179 /nfs/dbraw/zinc/31/81/79/948318179.db2.gz LQFYSSUYHSPLAO-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573445116 948321239 /nfs/dbraw/zinc/32/12/39/948321239.db2.gz YPDWVWYYDRMQBQ-KKUMJFAQSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573445116 948321247 /nfs/dbraw/zinc/32/12/47/948321247.db2.gz YPDWVWYYDRMQBQ-KKUMJFAQSA-N -1 3 384.444 0.579 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826452739 948321861 /nfs/dbraw/zinc/32/18/61/948321861.db2.gz GGEOLVIAQSFZTD-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826452739 948321867 /nfs/dbraw/zinc/32/18/67/948321867.db2.gz GGEOLVIAQSFZTD-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573446240 948325884 /nfs/dbraw/zinc/32/58/84/948325884.db2.gz BHTSKGSSVYFUSD-PESDSKBTSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573446240 948325893 /nfs/dbraw/zinc/32/58/93/948325893.db2.gz BHTSKGSSVYFUSD-PESDSKBTSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573696493 948325982 /nfs/dbraw/zinc/32/59/82/948325982.db2.gz RFXMNXIWJLRLOB-LKSINWNRSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573696493 948325991 /nfs/dbraw/zinc/32/59/91/948325991.db2.gz RFXMNXIWJLRLOB-LKSINWNRSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573696471 948327096 /nfs/dbraw/zinc/32/70/96/948327096.db2.gz QXHSCECGPSFBNT-ZMZPIMSZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573696471 948327106 /nfs/dbraw/zinc/32/71/06/948327106.db2.gz QXHSCECGPSFBNT-ZMZPIMSZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)n1cccn1 ZINC001573696560 948327754 /nfs/dbraw/zinc/32/77/54/948327754.db2.gz SBWHVTRBIDFFJA-NGFQHRJXSA-N -1 3 379.428 0.518 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)n1cccn1 ZINC001573696560 948327762 /nfs/dbraw/zinc/32/77/62/948327762.db2.gz SBWHVTRBIDFFJA-NGFQHRJXSA-N -1 3 379.428 0.518 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573446411 948329034 /nfs/dbraw/zinc/32/90/34/948329034.db2.gz DXMPRBQLYBSDAV-IAQYHMDHSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573446411 948329042 /nfs/dbraw/zinc/32/90/42/948329042.db2.gz DXMPRBQLYBSDAV-IAQYHMDHSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573446501 948330832 /nfs/dbraw/zinc/33/08/32/948330832.db2.gz IEWSVQXWUSXOEJ-TVQRCGJNSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573446501 948330840 /nfs/dbraw/zinc/33/08/40/948330840.db2.gz IEWSVQXWUSXOEJ-TVQRCGJNSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573446500 948331176 /nfs/dbraw/zinc/33/11/76/948331176.db2.gz IEWSVQXWUSXOEJ-NOZJJQNGSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573446500 948331182 /nfs/dbraw/zinc/33/11/82/948331182.db2.gz IEWSVQXWUSXOEJ-NOZJJQNGSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573446679 948333195 /nfs/dbraw/zinc/33/31/95/948333195.db2.gz MFPWNSQGEYQHPN-HFBAOOFYSA-N -1 3 398.471 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573446679 948333201 /nfs/dbraw/zinc/33/32/01/948333201.db2.gz MFPWNSQGEYQHPN-HFBAOOFYSA-N -1 3 398.471 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573446689 948336557 /nfs/dbraw/zinc/33/65/57/948336557.db2.gz MQSJUDZBOJLSNQ-LDZOIKDWSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573446689 948336566 /nfs/dbraw/zinc/33/65/66/948336566.db2.gz MQSJUDZBOJLSNQ-LDZOIKDWSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)C(C)(F)F ZINC001573696835 948337059 /nfs/dbraw/zinc/33/70/59/948337059.db2.gz XTVLQJOKADAEQS-LLVKDONJSA-N -1 3 380.399 0.821 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)C(C)(F)F ZINC001573696835 948337066 /nfs/dbraw/zinc/33/70/66/948337066.db2.gz XTVLQJOKADAEQS-LLVKDONJSA-N -1 3 380.399 0.821 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573446881 948338402 /nfs/dbraw/zinc/33/84/02/948338402.db2.gz QKJAYRZBMXWHOP-OAHLLOKOSA-N -1 3 384.444 0.311 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573446881 948338409 /nfs/dbraw/zinc/33/84/09/948338409.db2.gz QKJAYRZBMXWHOP-OAHLLOKOSA-N -1 3 384.444 0.311 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573447075 948340138 /nfs/dbraw/zinc/34/01/38/948340138.db2.gz UCLDELXMFFYJRK-TZMCWYRMSA-N -1 3 388.407 0.425 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573447075 948340144 /nfs/dbraw/zinc/34/01/44/948340144.db2.gz UCLDELXMFFYJRK-TZMCWYRMSA-N -1 3 388.407 0.425 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573447095 948340289 /nfs/dbraw/zinc/34/02/89/948340289.db2.gz VCUDGWUBCODNEM-BXKDBHETSA-N -1 3 392.489 0.949 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CC(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573447109 948340497 /nfs/dbraw/zinc/34/04/97/948340497.db2.gz VOAXTKONQBOBFV-SSDMNJCBSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CC(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573447109 948340505 /nfs/dbraw/zinc/34/05/05/948340505.db2.gz VOAXTKONQBOBFV-SSDMNJCBSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573701948 948340671 /nfs/dbraw/zinc/34/06/71/948340671.db2.gz BTJWNRPLCIHGIC-RYUDHWBXSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573701948 948340680 /nfs/dbraw/zinc/34/06/80/948340680.db2.gz BTJWNRPLCIHGIC-RYUDHWBXSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573703673 948357779 /nfs/dbraw/zinc/35/77/79/948357779.db2.gz LXYQBSJSNGVCNL-SWLSCSKDSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573704697 948380817 /nfs/dbraw/zinc/38/08/17/948380817.db2.gz CMOTTZRHWVYPGW-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573704697 948380824 /nfs/dbraw/zinc/38/08/24/948380824.db2.gz CMOTTZRHWVYPGW-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826478532 948389430 /nfs/dbraw/zinc/38/94/30/948389430.db2.gz DUUCLPBTLIAEIY-FZMZJTMJSA-N -1 3 385.380 0.859 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826478532 948389436 /nfs/dbraw/zinc/38/94/36/948389436.db2.gz DUUCLPBTLIAEIY-FZMZJTMJSA-N -1 3 385.380 0.859 20 0 GCADHM O=C(O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CCNC(=O)C1 ZINC000826478399 948390002 /nfs/dbraw/zinc/39/00/02/948390002.db2.gz ARQDABALANMCQM-JSGCOSHPSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CCNC(=O)C1 ZINC000826478399 948390010 /nfs/dbraw/zinc/39/00/10/948390010.db2.gz ARQDABALANMCQM-JSGCOSHPSA-N -1 3 384.396 0.432 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573705069 948391320 /nfs/dbraw/zinc/39/13/20/948391320.db2.gz VOTARNUCOUIGDM-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573705069 948391328 /nfs/dbraw/zinc/39/13/28/948391328.db2.gz VOTARNUCOUIGDM-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N[C@@H]1CCC(=O)NC1=O ZINC000826479876 948391790 /nfs/dbraw/zinc/39/17/90/948391790.db2.gz LBKJCFWRVQLJAU-SECBINFHSA-N -1 3 383.290 0.812 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N[C@@H]1CCC(=O)NC1=O ZINC000826479876 948391794 /nfs/dbraw/zinc/39/17/94/948391794.db2.gz LBKJCFWRVQLJAU-SECBINFHSA-N -1 3 383.290 0.812 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N[C@H]1CCC(=O)NC1=O ZINC000826479685 948391824 /nfs/dbraw/zinc/39/18/24/948391824.db2.gz FRXDYELVPTVVPG-VIFPVBQESA-N -1 3 399.346 0.118 20 0 GCADHM C[C@H](C(=O)NCC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)n1cncn1 ZINC001573705283 948395655 /nfs/dbraw/zinc/39/56/55/948395655.db2.gz GZRHJRVCOYLJNW-LLVKDONJSA-N -1 3 385.407 0.407 20 0 GCADHM O=C1C[C@H](N2CCC3(COC(=O)N3)CC2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000826482461 948395780 /nfs/dbraw/zinc/39/57/80/948395780.db2.gz FOIJXRASXAUPSL-ZDUSSCGKSA-N -1 3 397.395 0.073 20 0 GCADHM O=C1C[C@H](N2CCC3(COC(=O)N3)CC2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000826482461 948395786 /nfs/dbraw/zinc/39/57/86/948395786.db2.gz FOIJXRASXAUPSL-ZDUSSCGKSA-N -1 3 397.395 0.073 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CCC1 ZINC001573705524 948402853 /nfs/dbraw/zinc/40/28/53/948402853.db2.gz ICHVDXHQVRUTKH-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CCC1 ZINC001573705524 948402857 /nfs/dbraw/zinc/40/28/57/948402857.db2.gz ICHVDXHQVRUTKH-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM O=S(=O)(NCCn1ccnn1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826491484 948403725 /nfs/dbraw/zinc/40/37/25/948403725.db2.gz LNDUZIOKJIIRBJ-UHFFFAOYSA-N -1 3 388.335 0.456 20 0 GCADHM O=S(=O)(NCCn1ccnn1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826491484 948403729 /nfs/dbraw/zinc/40/37/29/948403729.db2.gz LNDUZIOKJIIRBJ-UHFFFAOYSA-N -1 3 388.335 0.456 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)C(C)(F)F ZINC001573705606 948403796 /nfs/dbraw/zinc/40/37/96/948403796.db2.gz GJCZFUGYUDTIEL-CMPLNLGQSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)C(C)(F)F ZINC001573705606 948403799 /nfs/dbraw/zinc/40/37/99/948403799.db2.gz GJCZFUGYUDTIEL-CMPLNLGQSA-N -1 3 381.387 0.874 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490406 948403887 /nfs/dbraw/zinc/40/38/87/948403887.db2.gz UOILIPIZVUVXBC-QWRGUYRKSA-N -1 3 382.421 0.147 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490406 948403891 /nfs/dbraw/zinc/40/38/91/948403891.db2.gz UOILIPIZVUVXBC-QWRGUYRKSA-N -1 3 382.421 0.147 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573706053 948411317 /nfs/dbraw/zinc/41/13/17/948411317.db2.gz JLLSLERRVGNEMS-AAEUAGOBSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573706053 948411323 /nfs/dbraw/zinc/41/13/23/948411323.db2.gz JLLSLERRVGNEMS-AAEUAGOBSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573706460 948419141 /nfs/dbraw/zinc/41/91/41/948419141.db2.gz KYQUHEIBLHCLOP-CHWSQXEVSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573706460 948419146 /nfs/dbraw/zinc/41/91/46/948419146.db2.gz KYQUHEIBLHCLOP-CHWSQXEVSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573706612 948420352 /nfs/dbraw/zinc/42/03/52/948420352.db2.gz JQESBGQCKACSOF-OCCSQVGLSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573706612 948420357 /nfs/dbraw/zinc/42/03/57/948420357.db2.gz JQESBGQCKACSOF-OCCSQVGLSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)n1cccn1 ZINC001573706816 948424074 /nfs/dbraw/zinc/42/40/74/948424074.db2.gz LFMOWKVYFKXNRI-OCCSQVGLSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)n1cccn1 ZINC001573706816 948424079 /nfs/dbraw/zinc/42/40/79/948424079.db2.gz LFMOWKVYFKXNRI-OCCSQVGLSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC001573706767 948425285 /nfs/dbraw/zinc/42/52/85/948425285.db2.gz LENBHZMBDLFEQS-ONGXEEELSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC001573706767 948425289 /nfs/dbraw/zinc/42/52/89/948425289.db2.gz LENBHZMBDLFEQS-ONGXEEELSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C(C)(C)C ZINC001573706756 948425405 /nfs/dbraw/zinc/42/54/05/948425405.db2.gz LUVZXSDHLDTRTC-DGCLKSJQSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C(C)(C)C ZINC001573706756 948425409 /nfs/dbraw/zinc/42/54/09/948425409.db2.gz LUVZXSDHLDTRTC-DGCLKSJQSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573707122 948428069 /nfs/dbraw/zinc/42/80/69/948428069.db2.gz MZXVSNYCWDGEHG-BDAKNGLRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573707122 948428072 /nfs/dbraw/zinc/42/80/72/948428072.db2.gz MZXVSNYCWDGEHG-BDAKNGLRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)C(C)(F)F ZINC001573707236 948429463 /nfs/dbraw/zinc/42/94/63/948429463.db2.gz NIDSUGSFJSTIAZ-MNOVXSKESA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)C(C)(F)F ZINC001573707236 948429465 /nfs/dbraw/zinc/42/94/65/948429465.db2.gz NIDSUGSFJSTIAZ-MNOVXSKESA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573707205 948430553 /nfs/dbraw/zinc/43/05/53/948430553.db2.gz NBVJJZMZTHCTEH-QAVQXKDTSA-N -1 3 387.444 0.660 20 0 GCADHM C[C@@H](C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573707205 948430558 /nfs/dbraw/zinc/43/05/58/948430558.db2.gz NBVJJZMZTHCTEH-QAVQXKDTSA-N -1 3 387.444 0.660 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)c1ccco1 ZINC001573707820 948438684 /nfs/dbraw/zinc/43/86/84/948438684.db2.gz QBXIOJCLSSIMCO-OLZOCXBDSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)c1ccco1 ZINC001573707820 948438691 /nfs/dbraw/zinc/43/86/91/948438691.db2.gz QBXIOJCLSSIMCO-OLZOCXBDSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001573708087 948443083 /nfs/dbraw/zinc/44/30/83/948443083.db2.gz RNUONGDSGIOKQT-DZGCQCFKSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001573708087 948443090 /nfs/dbraw/zinc/44/30/90/948443090.db2.gz RNUONGDSGIOKQT-DZGCQCFKSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCC(=O)N1 ZINC001573708274 948447141 /nfs/dbraw/zinc/44/71/41/948447141.db2.gz SOMFXEXFLCWDKH-GXFFZTMASA-N -1 3 389.485 0.391 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573708551 948453100 /nfs/dbraw/zinc/45/31/00/948453100.db2.gz VQIDCBYDAJMGRV-AAEUAGOBSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573708551 948453103 /nfs/dbraw/zinc/45/31/03/948453103.db2.gz VQIDCBYDAJMGRV-AAEUAGOBSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573708821 948459669 /nfs/dbraw/zinc/45/96/69/948459669.db2.gz YCJUOXCGKXJNJJ-NEPJUHHUSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573708821 948459675 /nfs/dbraw/zinc/45/96/75/948459675.db2.gz YCJUOXCGKXJNJJ-NEPJUHHUSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cccc1 ZINC001573708900 948461739 /nfs/dbraw/zinc/46/17/39/948461739.db2.gz YNPGSJBIZNTDOE-HIFRSBDPSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cccc1 ZINC001573708900 948461742 /nfs/dbraw/zinc/46/17/42/948461742.db2.gz YNPGSJBIZNTDOE-HIFRSBDPSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC001573708951 948463349 /nfs/dbraw/zinc/46/33/49/948463349.db2.gz ZNWLSWJUUIXGKE-GXTWGEPZSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC001573708951 948463354 /nfs/dbraw/zinc/46/33/54/948463354.db2.gz ZNWLSWJUUIXGKE-GXTWGEPZSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573714498 948472352 /nfs/dbraw/zinc/47/23/52/948472352.db2.gz HHOOVORCVAEDQD-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573714498 948472359 /nfs/dbraw/zinc/47/23/59/948472359.db2.gz HHOOVORCVAEDQD-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM Cn1nc2c(c1C(=O)Nc1cc(-c3nnn[n-]3)ccc1F)CS(=O)(=O)CC2 ZINC001129732137 948472409 /nfs/dbraw/zinc/47/24/09/948472409.db2.gz GKRZXITUGBDMHS-UHFFFAOYSA-N -1 3 391.388 0.463 20 0 GCADHM Cn1nc2c(c1C(=O)Nc1cc(-c3nn[n-]n3)ccc1F)CS(=O)(=O)CC2 ZINC001129732137 948472416 /nfs/dbraw/zinc/47/24/16/948472416.db2.gz GKRZXITUGBDMHS-UHFFFAOYSA-N -1 3 391.388 0.463 20 0 GCADHM C[C@@H](C(=O)NCCN(C)Cc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CCC(=O)N1 ZINC001573714720 948476250 /nfs/dbraw/zinc/47/62/50/948476250.db2.gz JFAQAEBKXBXSLV-ABAIWWIYSA-N -1 3 389.435 0.469 20 0 GCADHM C[C@@H](C(=O)NCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573715386 948489859 /nfs/dbraw/zinc/48/98/59/948489859.db2.gz VNDZMBBBBVHHIJ-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](C(=O)NCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573715386 948489861 /nfs/dbraw/zinc/48/98/61/948489861.db2.gz VNDZMBBBBVHHIJ-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM O=C1N[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)CC[C@H]2CO1 ZINC001212392989 948494724 /nfs/dbraw/zinc/49/47/24/948494724.db2.gz YECJOZKGQQBBCJ-QPUJVOFHSA-N -1 3 398.832 0.639 20 0 GCADHM O=C1N[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)CC[C@H]2CO1 ZINC001212392989 948494728 /nfs/dbraw/zinc/49/47/28/948494728.db2.gz YECJOZKGQQBBCJ-QPUJVOFHSA-N -1 3 398.832 0.639 20 0 GCADHM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)cn1)C1CC1)c1cnn(C)c1 ZINC001573717147 948506839 /nfs/dbraw/zinc/50/68/39/948506839.db2.gz CCACNWDJCAUJII-LBPRGKRZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)cn1)C1CC1)c1cnn(C)c1 ZINC001573717147 948506845 /nfs/dbraw/zinc/50/68/45/948506845.db2.gz CCACNWDJCAUJII-LBPRGKRZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573717501 948507703 /nfs/dbraw/zinc/50/77/03/948507703.db2.gz DHBBZDXIDCWVLC-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573717501 948507707 /nfs/dbraw/zinc/50/77/07/948507707.db2.gz DHBBZDXIDCWVLC-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573718278 948515643 /nfs/dbraw/zinc/51/56/43/948515643.db2.gz PYXMGDGBRIDWMI-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573718278 948515649 /nfs/dbraw/zinc/51/56/49/948515649.db2.gz PYXMGDGBRIDWMI-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573719232 948522946 /nfs/dbraw/zinc/52/29/46/948522946.db2.gz LTCIKGYEYLZXEQ-LLVKDONJSA-N -1 3 387.400 0.142 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573719232 948522950 /nfs/dbraw/zinc/52/29/50/948522950.db2.gz LTCIKGYEYLZXEQ-LLVKDONJSA-N -1 3 387.400 0.142 20 0 GCADHM C[C@@H](C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1)N(C)CC(F)(F)F ZINC001573721035 948537969 /nfs/dbraw/zinc/53/79/69/948537969.db2.gz VOODIQLRXKGJTG-JTQLQIEISA-N -1 3 386.382 0.697 20 0 GCADHM C[C@@H](C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1)N(C)CC(F)(F)F ZINC001573721035 948537972 /nfs/dbraw/zinc/53/79/72/948537972.db2.gz VOODIQLRXKGJTG-JTQLQIEISA-N -1 3 386.382 0.697 20 0 GCADHM C[C@@H](C(=O)NCCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573721604 948542640 /nfs/dbraw/zinc/54/26/40/948542640.db2.gz ZHBICLJEGRXYDL-CYBMUJFWSA-N -1 3 385.476 0.331 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725918 948545753 /nfs/dbraw/zinc/54/57/53/948545753.db2.gz CUUDEWRQMGDKHR-RFHZTLPTSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573725918 948545761 /nfs/dbraw/zinc/54/57/61/948545761.db2.gz CUUDEWRQMGDKHR-RFHZTLPTSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573725935 948545891 /nfs/dbraw/zinc/54/58/91/948545891.db2.gz CZQURYNLYZXWMY-FOGDFJRCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573725935 948545898 /nfs/dbraw/zinc/54/58/98/948545898.db2.gz CZQURYNLYZXWMY-FOGDFJRCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573726280 948550392 /nfs/dbraw/zinc/55/03/92/948550392.db2.gz HTFRWVQCXJDPDO-UQFNBPPOSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573726280 948550396 /nfs/dbraw/zinc/55/03/96/948550396.db2.gz HTFRWVQCXJDPDO-UQFNBPPOSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573726748 948552498 /nfs/dbraw/zinc/55/24/98/948552498.db2.gz JXSZCXKDQGYBHE-GVXVVHGQSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573726748 948552504 /nfs/dbraw/zinc/55/25/04/948552504.db2.gz JXSZCXKDQGYBHE-GVXVVHGQSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001573727225 948554351 /nfs/dbraw/zinc/55/43/51/948554351.db2.gz LNGUCIGBNSWGQE-NLRBGTRBSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001573727225 948554365 /nfs/dbraw/zinc/55/43/65/948554365.db2.gz LNGUCIGBNSWGQE-NLRBGTRBSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573728291 948559921 /nfs/dbraw/zinc/55/99/21/948559921.db2.gz CUUDEWRQMGDKHR-AUZPSNTRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573728291 948559927 /nfs/dbraw/zinc/55/99/27/948559927.db2.gz CUUDEWRQMGDKHR-AUZPSNTRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCC(=O)N1 ZINC001573728335 948560622 /nfs/dbraw/zinc/56/06/22/948560622.db2.gz DGYDDBNXFWYSBU-OXHZDVMGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCC(=O)N1 ZINC001573728335 948560630 /nfs/dbraw/zinc/56/06/30/948560630.db2.gz DGYDDBNXFWYSBU-OXHZDVMGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)C1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573728747 948564376 /nfs/dbraw/zinc/56/43/76/948564376.db2.gz QWJHKVLJTMLMHK-QWRGUYRKSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)C1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573728747 948564380 /nfs/dbraw/zinc/56/43/80/948564380.db2.gz QWJHKVLJTMLMHK-QWRGUYRKSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573729157 948568164 /nfs/dbraw/zinc/56/81/64/948568164.db2.gz HTFRWVQCXJDPDO-UHXUCMFUSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573729157 948568169 /nfs/dbraw/zinc/56/81/69/948568169.db2.gz HTFRWVQCXJDPDO-UHXUCMFUSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573730561 948583074 /nfs/dbraw/zinc/58/30/74/948583074.db2.gz RCDHDYSFDPALCW-SRVKXCTJSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573730561 948583076 /nfs/dbraw/zinc/58/30/76/948583076.db2.gz RCDHDYSFDPALCW-SRVKXCTJSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC001573731923 948598428 /nfs/dbraw/zinc/59/84/28/948598428.db2.gz ZPWYGBHKJIISDB-SNVBAGLBSA-N -1 3 389.441 0.317 20 0 GCADHM C[C@H](C(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573731923 948598434 /nfs/dbraw/zinc/59/84/34/948598434.db2.gz ZPWYGBHKJIISDB-SNVBAGLBSA-N -1 3 389.441 0.317 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCOCC1 ZINC001573732069 948600655 /nfs/dbraw/zinc/60/06/55/948600655.db2.gz KWOQUCNKIPHIMD-NWDGAFQWSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCOCC1 ZINC001573732069 948600658 /nfs/dbraw/zinc/60/06/58/948600658.db2.gz KWOQUCNKIPHIMD-NWDGAFQWSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573732574 948604545 /nfs/dbraw/zinc/60/45/45/948604545.db2.gz RLUKBLCUXPCENN-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573732574 948604551 /nfs/dbraw/zinc/60/45/51/948604551.db2.gz RLUKBLCUXPCENN-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573736119 948612297 /nfs/dbraw/zinc/61/22/97/948612297.db2.gz JDCHDOPLHXEAJW-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573736119 948612301 /nfs/dbraw/zinc/61/23/01/948612301.db2.gz JDCHDOPLHXEAJW-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573736251 948614741 /nfs/dbraw/zinc/61/47/41/948614741.db2.gz KWYXMPMUPJYKHR-GHMZBOCLSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573736251 948614748 /nfs/dbraw/zinc/61/47/48/948614748.db2.gz KWYXMPMUPJYKHR-GHMZBOCLSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573739899 948625827 /nfs/dbraw/zinc/62/58/27/948625827.db2.gz IJYFPJKHLAEJCB-MYPMTAMASA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573739899 948625838 /nfs/dbraw/zinc/62/58/38/948625838.db2.gz IJYFPJKHLAEJCB-MYPMTAMASA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)n1cccn1 ZINC001573740153 948629053 /nfs/dbraw/zinc/62/90/53/948629053.db2.gz GDBUYNOQRSRIFV-SUHUHFCYSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)n1cccn1 ZINC001573740153 948629057 /nfs/dbraw/zinc/62/90/57/948629057.db2.gz GDBUYNOQRSRIFV-SUHUHFCYSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)n1cccn1 ZINC001573740155 948629570 /nfs/dbraw/zinc/62/95/70/948629570.db2.gz GDBUYNOQRSRIFV-ZKYQVNSYSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)n1cccn1 ZINC001573740155 948629575 /nfs/dbraw/zinc/62/95/75/948629575.db2.gz GDBUYNOQRSRIFV-ZKYQVNSYSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccc(F)c1 ZINC001573740267 948630432 /nfs/dbraw/zinc/63/04/32/948630432.db2.gz HNYJMBKVJDRXCL-XZJROXQQSA-N -1 3 397.414 0.870 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccc(F)c1 ZINC001573740267 948630434 /nfs/dbraw/zinc/63/04/34/948630434.db2.gz HNYJMBKVJDRXCL-XZJROXQQSA-N -1 3 397.414 0.870 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C)c1cnn(C)c1 ZINC001573740815 948642824 /nfs/dbraw/zinc/64/28/24/948642824.db2.gz PAMZHULZOFMWEQ-XHBSWPGZSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C)c1cnn(C)c1 ZINC001573740815 948642826 /nfs/dbraw/zinc/64/28/26/948642826.db2.gz PAMZHULZOFMWEQ-XHBSWPGZSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573740888 948644632 /nfs/dbraw/zinc/64/46/32/948644632.db2.gz UVADXFZKEZGVCU-MXYBEHONSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573740888 948644635 /nfs/dbraw/zinc/64/46/35/948644635.db2.gz UVADXFZKEZGVCU-MXYBEHONSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573740886 948644837 /nfs/dbraw/zinc/64/48/37/948644837.db2.gz UVADXFZKEZGVCU-GBOPCIDUSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573740886 948644838 /nfs/dbraw/zinc/64/48/38/948644838.db2.gz UVADXFZKEZGVCU-GBOPCIDUSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1ccsc1 ZINC001573741155 948650095 /nfs/dbraw/zinc/65/00/95/948650095.db2.gz TWNSLUYQXCSLPE-VQISRLSMSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1ccsc1 ZINC001573741155 948650100 /nfs/dbraw/zinc/65/01/00/948650100.db2.gz TWNSLUYQXCSLPE-VQISRLSMSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C1CCCC1 ZINC001573741518 948656243 /nfs/dbraw/zinc/65/62/43/948656243.db2.gz YBSPIFAXJDAENA-VCTAVGKDSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C1CCCC1 ZINC001573741518 948656247 /nfs/dbraw/zinc/65/62/47/948656247.db2.gz YBSPIFAXJDAENA-VCTAVGKDSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573741825 948656999 /nfs/dbraw/zinc/65/69/99/948656999.db2.gz FCKOIJCTICMWJW-WFASDCNBSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C)S(C)(=O)=O ZINC001573741834 948657523 /nfs/dbraw/zinc/65/75/23/948657523.db2.gz FNTNOAPLKGGUQH-JMSVASOKSA-N -1 3 392.485 0.379 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573742336 948660711 /nfs/dbraw/zinc/66/07/11/948660711.db2.gz KWYXMPMUPJYKHR-QWRGUYRKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573742336 948660715 /nfs/dbraw/zinc/66/07/15/948660715.db2.gz KWYXMPMUPJYKHR-QWRGUYRKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573742364 948660810 /nfs/dbraw/zinc/66/08/10/948660810.db2.gz LJZGPMGSEDIYJU-MFKMUULPSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573742364 948660814 /nfs/dbraw/zinc/66/08/14/948660814.db2.gz LJZGPMGSEDIYJU-MFKMUULPSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573742555 948660878 /nfs/dbraw/zinc/66/08/78/948660878.db2.gz MILGATJWZQCIRJ-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573742555 948660883 /nfs/dbraw/zinc/66/08/83/948660883.db2.gz MILGATJWZQCIRJ-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573745607 948674239 /nfs/dbraw/zinc/67/42/39/948674239.db2.gz FKBLTPLXMCWQTB-RTXFEEFZSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573745607 948674245 /nfs/dbraw/zinc/67/42/45/948674245.db2.gz FKBLTPLXMCWQTB-RTXFEEFZSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573745681 948674633 /nfs/dbraw/zinc/67/46/33/948674633.db2.gz GQXXUAPQRWJQMA-SDDRHHMPSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573745681 948674638 /nfs/dbraw/zinc/67/46/38/948674638.db2.gz GQXXUAPQRWJQMA-SDDRHHMPSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573746379 948680787 /nfs/dbraw/zinc/68/07/87/948680787.db2.gz JPEQTFFEPJXGFR-LERXQTSPSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573746379 948680789 /nfs/dbraw/zinc/68/07/89/948680789.db2.gz JPEQTFFEPJXGFR-LERXQTSPSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573747474 948690992 /nfs/dbraw/zinc/69/09/92/948690992.db2.gz VDBRDCSZHMTXCZ-SGMGOOAPSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573747474 948690998 /nfs/dbraw/zinc/69/09/98/948690998.db2.gz VDBRDCSZHMTXCZ-SGMGOOAPSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCC(=O)N1 ZINC001573748871 948697463 /nfs/dbraw/zinc/69/74/63/948697463.db2.gz WGIKXMSCEXQCCK-IMIFBBOLSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCC(=O)N1 ZINC001573748871 948697468 /nfs/dbraw/zinc/69/74/68/948697468.db2.gz WGIKXMSCEXQCCK-IMIFBBOLSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573749348 948699956 /nfs/dbraw/zinc/69/99/56/948699956.db2.gz YSRCRDFSXXHYTP-AVGNSLFASA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573749348 948699960 /nfs/dbraw/zinc/69/99/60/948699960.db2.gz YSRCRDFSXXHYTP-AVGNSLFASA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)n1cncn1 ZINC001573749359 948701076 /nfs/dbraw/zinc/70/10/76/948701076.db2.gz ZALQHTRQUIQHJM-INTQDDNPSA-N -1 3 388.823 0.827 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)n1cncn1 ZINC001573749359 948701082 /nfs/dbraw/zinc/70/10/82/948701082.db2.gz ZALQHTRQUIQHJM-INTQDDNPSA-N -1 3 388.823 0.827 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)C(F)(F)F ZINC001573751991 948709091 /nfs/dbraw/zinc/70/90/91/948709091.db2.gz JMVLERALVKMCHX-LEQIOUOKSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)C(F)(F)F ZINC001573751991 948709100 /nfs/dbraw/zinc/70/91/00/948709100.db2.gz JMVLERALVKMCHX-LEQIOUOKSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)C(F)(F)F ZINC001573752000 948709726 /nfs/dbraw/zinc/70/97/26/948709726.db2.gz JSKUTBIFJFLAEM-WGNDUZGJSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)C(F)(F)F ZINC001573752000 948709729 /nfs/dbraw/zinc/70/97/29/948709729.db2.gz JSKUTBIFJFLAEM-WGNDUZGJSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)c1ccco1 ZINC001573752618 948714743 /nfs/dbraw/zinc/71/47/43/948714743.db2.gz PBIULKCQIADWJT-APAOZMKASA-N -1 3 381.396 0.778 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)c1ccco1 ZINC001573752618 948714749 /nfs/dbraw/zinc/71/47/49/948714749.db2.gz PBIULKCQIADWJT-APAOZMKASA-N -1 3 381.396 0.778 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573753437 948719858 /nfs/dbraw/zinc/71/98/58/948719858.db2.gz VCVURBADSBQMGW-OPRDCNLKSA-N -1 3 382.421 0.498 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573753437 948719861 /nfs/dbraw/zinc/71/98/61/948719861.db2.gz VCVURBADSBQMGW-OPRDCNLKSA-N -1 3 382.421 0.498 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)[C@@H]1CCCO1 ZINC001573753693 948720938 /nfs/dbraw/zinc/72/09/38/948720938.db2.gz WZZKZMHBPRRDST-AMFXNCCOSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)[C@@H]1CCCO1 ZINC001573753693 948720943 /nfs/dbraw/zinc/72/09/43/948720943.db2.gz WZZKZMHBPRRDST-AMFXNCCOSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)[C@H]1CCCO1 ZINC001573753695 948721632 /nfs/dbraw/zinc/72/16/32/948721632.db2.gz WZZKZMHBPRRDST-DJOIZQNCSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)[C@H]1CCCO1 ZINC001573753695 948721635 /nfs/dbraw/zinc/72/16/35/948721635.db2.gz WZZKZMHBPRRDST-DJOIZQNCSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001573754157 948739581 /nfs/dbraw/zinc/73/95/81/948739581.db2.gz CEIUZIWVLYZPLS-YWVKMMECSA-N -1 3 388.453 0.849 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001573754157 948739587 /nfs/dbraw/zinc/73/95/87/948739587.db2.gz CEIUZIWVLYZPLS-YWVKMMECSA-N -1 3 388.453 0.849 20 0 GCADHM C[C@@H](C(N)=O)N(C)Cc1ccccc1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573754774 948750741 /nfs/dbraw/zinc/75/07/41/948750741.db2.gz KFTDLZLFKPVIOR-NSHDSACASA-N -1 3 382.428 0.430 20 0 GCADHM C[C@@H](C(N)=O)N(C)Cc1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573754774 948750758 /nfs/dbraw/zinc/75/07/58/948750758.db2.gz KFTDLZLFKPVIOR-NSHDSACASA-N -1 3 382.428 0.430 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575222785 948758314 /nfs/dbraw/zinc/75/83/14/948758314.db2.gz KAXSOFWZFFFGDX-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575222785 948758329 /nfs/dbraw/zinc/75/83/29/948758329.db2.gz KAXSOFWZFFFGDX-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001575223288 948760876 /nfs/dbraw/zinc/76/08/76/948760876.db2.gz MTJAIEKVLMPRME-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001575223288 948760888 /nfs/dbraw/zinc/76/08/88/948760888.db2.gz MTJAIEKVLMPRME-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)[C@@H]1COC[C@H]1O ZINC001573755299 948761024 /nfs/dbraw/zinc/76/10/24/948761024.db2.gz OIUNSBCSEGVQRX-FBIMIBRVSA-N -1 3 378.458 0.435 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)[C@@H]1COC[C@H]1O ZINC001573755299 948761032 /nfs/dbraw/zinc/76/10/32/948761032.db2.gz OIUNSBCSEGVQRX-FBIMIBRVSA-N -1 3 378.458 0.435 20 0 GCADHM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001574679174 948769888 /nfs/dbraw/zinc/76/98/88/948769888.db2.gz POWZHQKCSWNGSD-VHSXEESVSA-N -1 3 383.420 0.202 20 0 GCADHM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001574679174 948769898 /nfs/dbraw/zinc/76/98/98/948769898.db2.gz POWZHQKCSWNGSD-VHSXEESVSA-N -1 3 383.420 0.202 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)CCn1cnnc1 ZINC001573755525 948770152 /nfs/dbraw/zinc/77/01/52/948770152.db2.gz RHAXGWFMRCSEJG-JTQLQIEISA-N -1 3 387.473 0.967 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)CCn1cnnc1 ZINC001573755525 948770168 /nfs/dbraw/zinc/77/01/68/948770168.db2.gz RHAXGWFMRCSEJG-JTQLQIEISA-N -1 3 387.473 0.967 20 0 GCADHM C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574679196 948770911 /nfs/dbraw/zinc/77/09/11/948770911.db2.gz PXQMTUAIFQBGKE-JTQLQIEISA-N -1 3 382.432 0.879 20 0 GCADHM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001574679175 948771457 /nfs/dbraw/zinc/77/14/57/948771457.db2.gz POWZHQKCSWNGSD-ZJUUUORDSA-N -1 3 383.420 0.202 20 0 GCADHM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001574679175 948771471 /nfs/dbraw/zinc/77/14/71/948771471.db2.gz POWZHQKCSWNGSD-ZJUUUORDSA-N -1 3 383.420 0.202 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCOCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574079654 948775718 /nfs/dbraw/zinc/77/57/18/948775718.db2.gz DAAYGLKITDVZQG-CYBMUJFWSA-N -1 3 381.412 0.394 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCOCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574079654 948775733 /nfs/dbraw/zinc/77/57/33/948775733.db2.gz DAAYGLKITDVZQG-CYBMUJFWSA-N -1 3 381.412 0.394 20 0 GCADHM CC(C)c1cccc(C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574418196 948777385 /nfs/dbraw/zinc/77/73/85/948777385.db2.gz VDWKHXIUIXXFQF-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)c1cccc(C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574418196 948777395 /nfs/dbraw/zinc/77/73/95/948777395.db2.gz VDWKHXIUIXXFQF-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM C[C@H](CNC(=O)CCc1cn(C)nn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574916552 948778431 /nfs/dbraw/zinc/77/84/31/948778431.db2.gz DGAVIEJBNIRORK-SNVBAGLBSA-N -1 3 388.411 0.326 20 0 GCADHM C[C@H](CNC(=O)CCc1cn(C)nn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574916552 948778443 /nfs/dbraw/zinc/77/84/43/948778443.db2.gz DGAVIEJBNIRORK-SNVBAGLBSA-N -1 3 388.411 0.326 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574916712 948785639 /nfs/dbraw/zinc/78/56/39/948785639.db2.gz HZYPFYQTGHKDGF-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574916712 948785649 /nfs/dbraw/zinc/78/56/49/948785649.db2.gz HZYPFYQTGHKDGF-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](C(N)=O)N(C)Cc1ccccc1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573755842 948786799 /nfs/dbraw/zinc/78/67/99/948786799.db2.gz TXWSVHIKCLNQQT-LLVKDONJSA-N -1 3 382.428 0.430 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001574080195 948787801 /nfs/dbraw/zinc/78/78/01/948787801.db2.gz JUSPRQFHAWUGIC-KFWWJZLASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O ZINC001574080195 948787809 /nfs/dbraw/zinc/78/78/09/948787809.db2.gz JUSPRQFHAWUGIC-KFWWJZLASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@@H](O)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574080293 948789012 /nfs/dbraw/zinc/78/90/12/948789012.db2.gz OGHJCPHNLOVPSY-HNNXBMFYSA-N -1 3 388.476 0.937 20 0 GCADHM CC(C)[C@@H](O)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574080293 948789030 /nfs/dbraw/zinc/78/90/30/948789030.db2.gz OGHJCPHNLOVPSY-HNNXBMFYSA-N -1 3 388.476 0.937 20 0 GCADHM CC(F)(F)C1(C(=O)NCC2(O)CN(Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001575224718 948790644 /nfs/dbraw/zinc/79/06/44/948790644.db2.gz XMVTXNQVUPOVNH-UHFFFAOYSA-N -1 3 392.410 0.965 20 0 GCADHM CC(F)(F)C1(C(=O)NCC2(O)CN(Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001575224718 948790658 /nfs/dbraw/zinc/79/06/58/948790658.db2.gz XMVTXNQVUPOVNH-UHFFFAOYSA-N -1 3 392.410 0.965 20 0 GCADHM C[C@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573756000 948793029 /nfs/dbraw/zinc/79/30/29/948793029.db2.gz VVCVXLXDPDSGAQ-MRVPVSSYSA-N -1 3 387.429 0.093 20 0 GCADHM C[C@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573756000 948793040 /nfs/dbraw/zinc/79/30/40/948793040.db2.gz VVCVXLXDPDSGAQ-MRVPVSSYSA-N -1 3 387.429 0.093 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@H]1O ZINC001574080489 948796046 /nfs/dbraw/zinc/79/60/46/948796046.db2.gz MBVXWZOBLRMFNH-RBSFLKMASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O ZINC001574080489 948796057 /nfs/dbraw/zinc/79/60/57/948796057.db2.gz MBVXWZOBLRMFNH-RBSFLKMASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001574421124 948812477 /nfs/dbraw/zinc/81/24/77/948812477.db2.gz HEKDVUJBARDKTO-CABCVRRESA-N -1 3 383.412 0.958 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001574421124 948812501 /nfs/dbraw/zinc/81/25/01/948812501.db2.gz HEKDVUJBARDKTO-CABCVRRESA-N -1 3 383.412 0.958 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917249 948817072 /nfs/dbraw/zinc/81/70/72/948817072.db2.gz VFZCLJFNSIVUOQ-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917249 948817084 /nfs/dbraw/zinc/81/70/84/948817084.db2.gz VFZCLJFNSIVUOQ-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574421793 948823777 /nfs/dbraw/zinc/82/37/77/948823777.db2.gz PIMOVHHSLHPZCG-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574421793 948823794 /nfs/dbraw/zinc/82/37/94/948823794.db2.gz PIMOVHHSLHPZCG-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917729 948824493 /nfs/dbraw/zinc/82/44/93/948824493.db2.gz AARYVXFKWLGZPX-ZDUSSCGKSA-N -1 3 384.444 0.959 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917729 948824509 /nfs/dbraw/zinc/82/45/09/948824509.db2.gz AARYVXFKWLGZPX-ZDUSSCGKSA-N -1 3 384.444 0.959 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917530 948824913 /nfs/dbraw/zinc/82/49/13/948824913.db2.gz ZMJKOOCCGPNBKA-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917530 948824926 /nfs/dbraw/zinc/82/49/26/948824926.db2.gz ZMJKOOCCGPNBKA-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574421979 948827589 /nfs/dbraw/zinc/82/75/89/948827589.db2.gz SLQVKKIVYRQREL-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574421979 948827607 /nfs/dbraw/zinc/82/76/07/948827607.db2.gz SLQVKKIVYRQREL-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574917994 948833111 /nfs/dbraw/zinc/83/31/11/948833111.db2.gz FEEOPBMIBWPZTG-LLVKDONJSA-N -1 3 381.462 0.027 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574917994 948833127 /nfs/dbraw/zinc/83/31/27/948833127.db2.gz FEEOPBMIBWPZTG-LLVKDONJSA-N -1 3 381.462 0.027 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCCO1 ZINC001573761083 948833458 /nfs/dbraw/zinc/83/34/58/948833458.db2.gz AQDCHPUINGYTMD-AWEZNQCLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCCO1 ZINC001573761083 948833475 /nfs/dbraw/zinc/83/34/75/948833475.db2.gz AQDCHPUINGYTMD-AWEZNQCLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)F ZINC001573761094 948834499 /nfs/dbraw/zinc/83/44/99/948834499.db2.gz AZXRMWWXDNDLDP-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)F ZINC001573761094 948834517 /nfs/dbraw/zinc/83/45/17/948834517.db2.gz AZXRMWWXDNDLDP-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574918172 948838371 /nfs/dbraw/zinc/83/83/71/948838371.db2.gz GTDUHFIBEAETMI-JTQLQIEISA-N -1 3 384.437 0.747 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574918172 948838392 /nfs/dbraw/zinc/83/83/92/948838392.db2.gz GTDUHFIBEAETMI-JTQLQIEISA-N -1 3 384.437 0.747 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnc[nH]1 ZINC001573761287 948841986 /nfs/dbraw/zinc/84/19/86/948841986.db2.gz GDUHEVMUYRPPJE-LLVKDONJSA-N -1 3 382.432 0.040 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575229308 948842122 /nfs/dbraw/zinc/84/21/22/948842122.db2.gz HEBHCXYYPIOOKG-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575229308 948842141 /nfs/dbraw/zinc/84/21/41/948842141.db2.gz HEBHCXYYPIOOKG-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574918351 948844273 /nfs/dbraw/zinc/84/42/73/948844273.db2.gz JPVUTVGHHJZATJ-NSHDSACASA-N -1 3 381.462 0.251 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574918351 948844288 /nfs/dbraw/zinc/84/42/88/948844288.db2.gz JPVUTVGHHJZATJ-NSHDSACASA-N -1 3 381.462 0.251 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F)C(F)F ZINC001573761955 948847884 /nfs/dbraw/zinc/84/78/84/948847884.db2.gz NAGOGDXXDFLZJO-UHFFFAOYSA-N -1 3 387.366 0.925 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F)C(F)F ZINC001573761955 948847899 /nfs/dbraw/zinc/84/78/99/948847899.db2.gz NAGOGDXXDFLZJO-UHFFFAOYSA-N -1 3 387.366 0.925 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574082232 948851934 /nfs/dbraw/zinc/85/19/34/948851934.db2.gz CIMGSNYKVVBGAN-CYBMUJFWSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)C1(C(=O)N(C)C[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574082232 948851948 /nfs/dbraw/zinc/85/19/48/948851948.db2.gz CIMGSNYKVVBGAN-CYBMUJFWSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918794 948861184 /nfs/dbraw/zinc/86/11/84/948861184.db2.gz QOGHHMYASJHAQU-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918794 948861194 /nfs/dbraw/zinc/86/11/94/948861194.db2.gz QOGHHMYASJHAQU-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)c1cnc[nH]1 ZINC001573763071 948864944 /nfs/dbraw/zinc/86/49/44/948864944.db2.gz ABQVXNCMDBSHHO-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)c1cnc[nH]1 ZINC001573763071 948864957 /nfs/dbraw/zinc/86/49/57/948864957.db2.gz ABQVXNCMDBSHHO-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)c1cnc(CN2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)o1 ZINC001574424964 948867342 /nfs/dbraw/zinc/86/73/42/948867342.db2.gz YRAVGXGPLIGHDD-OLZOCXBDSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1cnc(CN2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)o1 ZINC001574424964 948867358 /nfs/dbraw/zinc/86/73/58/948867358.db2.gz YRAVGXGPLIGHDD-OLZOCXBDSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1coc(NC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001574424939 948869880 /nfs/dbraw/zinc/86/98/80/948869880.db2.gz XQEXORNBSFDMKZ-UHFFFAOYSA-N -1 3 391.413 0.895 20 0 GCADHM CC(C)c1coc(NC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001574424939 948869891 /nfs/dbraw/zinc/86/98/91/948869891.db2.gz XQEXORNBSFDMKZ-UHFFFAOYSA-N -1 3 391.413 0.895 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H](C)NC(N)=O ZINC001574684439 948870523 /nfs/dbraw/zinc/87/05/23/948870523.db2.gz GONFYQXJUFKDCL-SFYZADRCSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H](C)NC(N)=O ZINC001574684439 948870541 /nfs/dbraw/zinc/87/05/41/948870541.db2.gz GONFYQXJUFKDCL-SFYZADRCSA-N -1 3 381.828 0.279 20 0 GCADHM CC(C)c1nc(CN[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)no1 ZINC001574425224 948870910 /nfs/dbraw/zinc/87/09/10/948870910.db2.gz AWPLCXGEVNKKSM-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)no1 ZINC001574425224 948870926 /nfs/dbraw/zinc/87/09/26/948870926.db2.gz AWPLCXGEVNKKSM-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001574083032 948871268 /nfs/dbraw/zinc/87/12/68/948871268.db2.gz OFYDIKMJTSYYHO-QGZVFWFLSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001574083032 948871281 /nfs/dbraw/zinc/87/12/81/948871281.db2.gz OFYDIKMJTSYYHO-QGZVFWFLSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1cc(=O)[nH]c(=O)[nH]1 ZINC001574082989 948873847 /nfs/dbraw/zinc/87/38/47/948873847.db2.gz MXESSBJWSQJSDK-CQSZACIVSA-N -1 3 385.384 0.788 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1cc(=O)[nH]c(=O)[nH]1 ZINC001574082989 948873858 /nfs/dbraw/zinc/87/38/58/948873858.db2.gz MXESSBJWSQJSDK-CQSZACIVSA-N -1 3 385.384 0.788 20 0 GCADHM CC(C)(C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573763438 948874768 /nfs/dbraw/zinc/87/47/68/948874768.db2.gz FGBNIDGGYMCZJM-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573763438 948874783 /nfs/dbraw/zinc/87/47/83/948874783.db2.gz FGBNIDGGYMCZJM-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001574083191 948876237 /nfs/dbraw/zinc/87/62/37/948876237.db2.gz PSSNEKGGFHHLPL-KRWDZBQOSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001574083191 948876256 /nfs/dbraw/zinc/87/62/56/948876256.db2.gz PSSNEKGGFHHLPL-KRWDZBQOSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)c1nc(CN2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001574425478 948876513 /nfs/dbraw/zinc/87/65/13/948876513.db2.gz FRHKNBFCUJRYFL-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1nc(CN2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001574425478 948876526 /nfs/dbraw/zinc/87/65/26/948876526.db2.gz FRHKNBFCUJRYFL-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1nc(CN2CC([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001574425714 948880155 /nfs/dbraw/zinc/88/01/55/948880155.db2.gz LZVILDUFEVYBDM-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN2CC([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001574425714 948880179 /nfs/dbraw/zinc/88/01/79/948880179.db2.gz LZVILDUFEVYBDM-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CO)c1cncn1C ZINC001574083613 948884431 /nfs/dbraw/zinc/88/44/31/948884431.db2.gz VSLNZPFICQESER-XJKSGUPXSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CO)c1cncn1C ZINC001574083613 948884448 /nfs/dbraw/zinc/88/44/48/948884448.db2.gz VSLNZPFICQESER-XJKSGUPXSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)no1 ZINC001574426396 948887491 /nfs/dbraw/zinc/88/74/91/948887491.db2.gz RIZBWRSSKIAZJY-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)no1 ZINC001574426396 948887510 /nfs/dbraw/zinc/88/75/10/948887510.db2.gz RIZBWRSSKIAZJY-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]1 ZINC001574426465 948888425 /nfs/dbraw/zinc/88/84/25/948888425.db2.gz RSUNIFOAKAQBEY-SNVBAGLBSA-N -1 3 384.448 0.687 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574920136 948888490 /nfs/dbraw/zinc/88/84/90/948888490.db2.gz DKVGHLFSQUIJMF-JTQLQIEISA-N -1 3 388.411 0.326 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574920136 948888509 /nfs/dbraw/zinc/88/85/09/948888509.db2.gz DKVGHLFSQUIJMF-JTQLQIEISA-N -1 3 388.411 0.326 20 0 GCADHM CC(C)c1nc(CNC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)no1 ZINC001574426115 948888761 /nfs/dbraw/zinc/88/87/61/948888761.db2.gz QQZAPEMTUCJZNT-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)no1 ZINC001574426115 948888787 /nfs/dbraw/zinc/88/87/87/948888787.db2.gz QQZAPEMTUCJZNT-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)C1(C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001574083649 948892399 /nfs/dbraw/zinc/89/23/99/948892399.db2.gz WNCVCYSOIAEQFW-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)C1(C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001574083649 948892405 /nfs/dbraw/zinc/89/24/05/948892405.db2.gz WNCVCYSOIAEQFW-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574684889 948892690 /nfs/dbraw/zinc/89/26/90/948892690.db2.gz OLZBVNLFKCBFGF-ZJUUUORDSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574684889 948892708 /nfs/dbraw/zinc/89/27/08/948892708.db2.gz OLZBVNLFKCBFGF-ZJUUUORDSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H](C)CC(N)=O ZINC001574684927 948895653 /nfs/dbraw/zinc/89/56/53/948895653.db2.gz PFTLODNPQCPNRR-RKDXNWHRSA-N -1 3 380.840 0.733 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H](C)CC(N)=O ZINC001574684927 948895666 /nfs/dbraw/zinc/89/56/66/948895666.db2.gz PFTLODNPQCPNRR-RKDXNWHRSA-N -1 3 380.840 0.733 20 0 GCADHM CC(C)c1nc(CNC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)no1 ZINC001574427067 948896445 /nfs/dbraw/zinc/89/64/45/948896445.db2.gz YBAXDHKGVJRTBP-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)no1 ZINC001574427067 948896463 /nfs/dbraw/zinc/89/64/63/948896463.db2.gz YBAXDHKGVJRTBP-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573765042 948899204 /nfs/dbraw/zinc/89/92/04/948899204.db2.gz UTZHWDOQAWXURL-NSHDSACASA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573765042 948899222 /nfs/dbraw/zinc/89/92/22/948899222.db2.gz UTZHWDOQAWXURL-NSHDSACASA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001574685063 948900395 /nfs/dbraw/zinc/90/03/95/948900395.db2.gz RTKIWYRRHCVVPZ-ZYHUDNBSSA-N -1 3 390.423 0.766 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001574685063 948900400 /nfs/dbraw/zinc/90/04/00/948900400.db2.gz RTKIWYRRHCVVPZ-ZYHUDNBSSA-N -1 3 390.423 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920402 948901895 /nfs/dbraw/zinc/90/18/95/948901895.db2.gz KHROEGRIBLUIPG-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920402 948901907 /nfs/dbraw/zinc/90/19/07/948901907.db2.gz KHROEGRIBLUIPG-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920427 948902585 /nfs/dbraw/zinc/90/25/85/948902585.db2.gz KZEMXGPXZQMADV-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920427 948902598 /nfs/dbraw/zinc/90/25/98/948902598.db2.gz KZEMXGPXZQMADV-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1)C1CC1 ZINC001573765208 948903548 /nfs/dbraw/zinc/90/35/48/948903548.db2.gz WKXHYCDKZKGFBI-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1)C1CC1 ZINC001573765208 948903554 /nfs/dbraw/zinc/90/35/54/948903554.db2.gz WKXHYCDKZKGFBI-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CNC(=O)C1CC1 ZINC001574685595 948910862 /nfs/dbraw/zinc/91/08/62/948910862.db2.gz XOPCSDVCIDKGMX-VIFPVBQESA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CNC(=O)C1CC1 ZINC001574685595 948910875 /nfs/dbraw/zinc/91/08/75/948910875.db2.gz XOPCSDVCIDKGMX-VIFPVBQESA-N -1 3 392.851 0.748 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574427749 948911192 /nfs/dbraw/zinc/91/11/92/948911192.db2.gz NEHGTAOQEQYDMT-GFCCVEGCSA-N -1 3 384.448 0.358 20 0 GCADHM CC(C)(C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573765695 948919570 /nfs/dbraw/zinc/91/95/70/948919570.db2.gz XYYXKROXZPQOHQ-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573765695 948919582 /nfs/dbraw/zinc/91/95/82/948919582.db2.gz XYYXKROXZPQOHQ-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574428054 948920774 /nfs/dbraw/zinc/92/07/74/948920774.db2.gz YOSBTZVXIXULNI-GFCCVEGCSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574428054 948920784 /nfs/dbraw/zinc/92/07/84/948920784.db2.gz YOSBTZVXIXULNI-GFCCVEGCSA-N -1 3 384.448 0.936 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574921387 948921841 /nfs/dbraw/zinc/92/18/41/948921841.db2.gz WAHBJGIZMLJYOI-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574921387 948921846 /nfs/dbraw/zinc/92/18/46/948921846.db2.gz WAHBJGIZMLJYOI-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574428055 948922218 /nfs/dbraw/zinc/92/22/18/948922218.db2.gz YOSBTZVXIXULNI-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574428055 948922228 /nfs/dbraw/zinc/92/22/28/948922228.db2.gz YOSBTZVXIXULNI-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574088347 948922327 /nfs/dbraw/zinc/92/23/27/948922327.db2.gz BENDWUPOXAMFGW-SWLSCSKDSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574088347 948922339 /nfs/dbraw/zinc/92/23/39/948922339.db2.gz BENDWUPOXAMFGW-SWLSCSKDSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cn(C)ccc1=O ZINC001574685863 948922808 /nfs/dbraw/zinc/92/28/08/948922808.db2.gz BOJPNHWCBMKVDD-JTQLQIEISA-N -1 3 386.391 0.720 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cn(C)ccc1=O ZINC001574685863 948922825 /nfs/dbraw/zinc/92/28/25/948922825.db2.gz BOJPNHWCBMKVDD-JTQLQIEISA-N -1 3 386.391 0.720 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CNC(=O)C1CC1 ZINC001574685949 948923030 /nfs/dbraw/zinc/92/30/30/948923030.db2.gz BWHXOQGDQYVDNP-VIFPVBQESA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CNC(=O)C1CC1 ZINC001574685949 948923040 /nfs/dbraw/zinc/92/30/40/948923040.db2.gz BWHXOQGDQYVDNP-VIFPVBQESA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574685993 948925205 /nfs/dbraw/zinc/92/52/05/948925205.db2.gz CWDILCHKOSQJBC-ZYHUDNBSSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574685993 948925211 /nfs/dbraw/zinc/92/52/11/948925211.db2.gz CWDILCHKOSQJBC-ZYHUDNBSSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](CNC(=O)CCn1cnnn1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574923019 948931238 /nfs/dbraw/zinc/93/12/38/948931238.db2.gz BKOHWXHMGXZCDD-LLVKDONJSA-N -1 3 388.411 0.019 20 0 GCADHM CC(C)c1ncncc1C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574432257 948932017 /nfs/dbraw/zinc/93/20/17/948932017.db2.gz GWTCJVQQWONKTA-UHFFFAOYSA-N -1 3 381.400 0.363 20 0 GCADHM CC(C)c1ncncc1C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574432257 948932025 /nfs/dbraw/zinc/93/20/25/948932025.db2.gz GWTCJVQQWONKTA-UHFFFAOYSA-N -1 3 381.400 0.363 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574432457 948932830 /nfs/dbraw/zinc/93/28/30/948932830.db2.gz JYOUNNHYAVVUQT-LBPRGKRZSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574432457 948932840 /nfs/dbraw/zinc/93/28/40/948932840.db2.gz JYOUNNHYAVVUQT-LBPRGKRZSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432576 948934580 /nfs/dbraw/zinc/93/45/80/948934580.db2.gz NJQFUDHLRIJUAC-RYUDHWBXSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432576 948934590 /nfs/dbraw/zinc/93/45/90/948934590.db2.gz NJQFUDHLRIJUAC-RYUDHWBXSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574432482 948936828 /nfs/dbraw/zinc/93/68/28/948936828.db2.gz KNGNZROLVZNTBJ-GFCCVEGCSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574432482 948936836 /nfs/dbraw/zinc/93/68/36/948936836.db2.gz KNGNZROLVZNTBJ-GFCCVEGCSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CNC(=O)CCn1cncn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574923213 948938103 /nfs/dbraw/zinc/93/81/03/948938103.db2.gz HOPLIDUGOQTCES-GFCCVEGCSA-N -1 3 387.423 0.624 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573771298 948939340 /nfs/dbraw/zinc/93/93/40/948939340.db2.gz FLBOVSXNQNTWRG-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573771298 948939353 /nfs/dbraw/zinc/93/93/53/948939353.db2.gz FLBOVSXNQNTWRG-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1c[nH]cn1 ZINC001573771281 948939513 /nfs/dbraw/zinc/93/95/13/948939513.db2.gz FDZQZADHIKCSJL-LLVKDONJSA-N -1 3 382.432 0.443 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574923228 948940018 /nfs/dbraw/zinc/94/00/18/948940018.db2.gz HVWNFIGIKRFSSM-NSHDSACASA-N -1 3 386.391 0.569 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574923228 948940028 /nfs/dbraw/zinc/94/00/28/948940028.db2.gz HVWNFIGIKRFSSM-NSHDSACASA-N -1 3 386.391 0.569 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574432898 948941201 /nfs/dbraw/zinc/94/12/01/948941201.db2.gz OSEJWRCCWMVMBJ-LBPRGKRZSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574432898 948941212 /nfs/dbraw/zinc/94/12/12/948941212.db2.gz OSEJWRCCWMVMBJ-LBPRGKRZSA-N -1 3 383.416 0.378 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574687153 948948616 /nfs/dbraw/zinc/94/86/16/948948616.db2.gz NVCWOIFOSRSHRW-JTQLQIEISA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574687153 948948626 /nfs/dbraw/zinc/94/86/26/948948626.db2.gz NVCWOIFOSRSHRW-JTQLQIEISA-N -1 3 379.446 0.003 20 0 GCADHM CC(C)C1(O)CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574089301 948952828 /nfs/dbraw/zinc/95/28/28/948952828.db2.gz IQVSFPBHCXUQDT-UHFFFAOYSA-N -1 3 380.474 0.518 20 0 GCADHM CC(C)C1(O)CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574089301 948952838 /nfs/dbraw/zinc/95/28/38/948952838.db2.gz IQVSFPBHCXUQDT-UHFFFAOYSA-N -1 3 380.474 0.518 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCO1 ZINC001574089499 948957219 /nfs/dbraw/zinc/95/72/19/948957219.db2.gz FCWYECIIWIACHJ-ABAIWWIYSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCO1 ZINC001574089499 948957229 /nfs/dbraw/zinc/95/72/29/948957229.db2.gz FCWYECIIWIACHJ-ABAIWWIYSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574433429 948957665 /nfs/dbraw/zinc/95/76/65/948957665.db2.gz NDHUHKJJCZQTAG-UHFFFAOYSA-N -1 3 383.416 0.306 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574433429 948957680 /nfs/dbraw/zinc/95/76/80/948957680.db2.gz NDHUHKJJCZQTAG-UHFFFAOYSA-N -1 3 383.416 0.306 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001574688309 948958897 /nfs/dbraw/zinc/95/88/97/948958897.db2.gz SXPLNCBRUAKHJG-MRVPVSSYSA-N -1 3 387.379 0.448 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001574688309 948958908 /nfs/dbraw/zinc/95/89/08/948958908.db2.gz SXPLNCBRUAKHJG-MRVPVSSYSA-N -1 3 387.379 0.448 20 0 GCADHM CC(C)c1nccn1CC(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574433600 948959269 /nfs/dbraw/zinc/95/92/69/948959269.db2.gz YJLBYJMVQGPBHI-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)c1nccn1CC(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574433600 948959277 /nfs/dbraw/zinc/95/92/77/948959277.db2.gz YJLBYJMVQGPBHI-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574089597 948960161 /nfs/dbraw/zinc/96/01/61/948960161.db2.gz FWACUTVUKNFXNU-STQMWFEESA-N -1 3 387.444 0.180 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001574688304 948960299 /nfs/dbraw/zinc/96/02/99/948960299.db2.gz STVGQMOQQQBMHC-QMMMGPOBSA-N -1 3 387.379 0.448 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001574688304 948960311 /nfs/dbraw/zinc/96/03/11/948960311.db2.gz STVGQMOQQQBMHC-QMMMGPOBSA-N -1 3 387.379 0.448 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574089597 948960174 /nfs/dbraw/zinc/96/01/74/948960174.db2.gz FWACUTVUKNFXNU-STQMWFEESA-N -1 3 387.444 0.180 20 0 GCADHM CC(F)(F)CCC(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575239825 948963696 /nfs/dbraw/zinc/96/36/96/948963696.db2.gz VORBTLZPFRMFBE-UHFFFAOYSA-N -1 3 380.399 0.965 20 0 GCADHM CC(F)(F)CCC(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575239825 948963706 /nfs/dbraw/zinc/96/37/06/948963706.db2.gz VORBTLZPFRMFBE-UHFFFAOYSA-N -1 3 380.399 0.965 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574089767 948966183 /nfs/dbraw/zinc/96/61/83/948966183.db2.gz KNKRLCXREBHHSS-SCLBCKFNSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574089767 948966198 /nfs/dbraw/zinc/96/61/98/948966198.db2.gz KNKRLCXREBHHSS-SCLBCKFNSA-N -1 3 389.460 0.428 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001575240104 948972159 /nfs/dbraw/zinc/97/21/59/948972159.db2.gz ZGMXWYZKRWMGMR-NEPJUHHUSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001575240104 948972167 /nfs/dbraw/zinc/97/21/67/948972167.db2.gz ZGMXWYZKRWMGMR-NEPJUHHUSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001575240105 948972575 /nfs/dbraw/zinc/97/25/75/948972575.db2.gz ZGMXWYZKRWMGMR-NWDGAFQWSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001575240105 948972585 /nfs/dbraw/zinc/97/25/85/948972585.db2.gz ZGMXWYZKRWMGMR-NWDGAFQWSA-N -1 3 381.387 0.753 20 0 GCADHM CC(C)c1nnc(CN[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001574434035 948973753 /nfs/dbraw/zinc/97/37/53/948973753.db2.gz DFPJUSBECMMSHV-UMSPYCQHSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnc(CN[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001574434035 948973764 /nfs/dbraw/zinc/97/37/64/948973764.db2.gz DFPJUSBECMMSHV-UMSPYCQHSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574090232 948979586 /nfs/dbraw/zinc/97/95/86/948979586.db2.gz MFMWRTLZUXQVGE-PIGZYNQJSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574090232 948979603 /nfs/dbraw/zinc/97/96/03/948979603.db2.gz MFMWRTLZUXQVGE-PIGZYNQJSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574925834 948980142 /nfs/dbraw/zinc/98/01/42/948980142.db2.gz FAIPXIFABGXZIM-SNVBAGLBSA-N -1 3 392.851 0.478 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574925834 948980151 /nfs/dbraw/zinc/98/01/51/948980151.db2.gz FAIPXIFABGXZIM-SNVBAGLBSA-N -1 3 392.851 0.478 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)C(F)F ZINC001573773337 948980780 /nfs/dbraw/zinc/98/07/80/948980780.db2.gz LCCAEZHYAAJWIG-WDEREUQCSA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)C(F)F ZINC001573773337 948980792 /nfs/dbraw/zinc/98/07/92/948980792.db2.gz LCCAEZHYAAJWIG-WDEREUQCSA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1)c1cccnc1 ZINC001573773403 948982546 /nfs/dbraw/zinc/98/25/46/948982546.db2.gz AUCCVSHWHZHCJG-ZDUSSCGKSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1)c1cccnc1 ZINC001573773403 948982557 /nfs/dbraw/zinc/98/25/57/948982557.db2.gz AUCCVSHWHZHCJG-ZDUSSCGKSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)c1nnc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)s1 ZINC001574434577 948984262 /nfs/dbraw/zinc/98/42/62/948984262.db2.gz KLZYUQRLDDDIFM-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nnc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC001574434577 948984269 /nfs/dbraw/zinc/98/42/69/948984269.db2.gz KLZYUQRLDDDIFM-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)C1CCOCC1 ZINC001573773430 948984385 /nfs/dbraw/zinc/98/43/85/948984385.db2.gz BSMMESMUMBFGCG-CQSZACIVSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)C1CCOCC1 ZINC001573773430 948984400 /nfs/dbraw/zinc/98/44/00/948984400.db2.gz BSMMESMUMBFGCG-CQSZACIVSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)c1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001574435012 948987812 /nfs/dbraw/zinc/98/78/12/948987812.db2.gz OWARWBDJIDCFDJ-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM CC(C)c1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001574435012 948987832 /nfs/dbraw/zinc/98/78/32/948987832.db2.gz OWARWBDJIDCFDJ-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](F)CCN1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001575243201 948990062 /nfs/dbraw/zinc/99/00/62/948990062.db2.gz NXYDDMOBXFRFGT-YPMHNXCESA-N -1 3 377.424 0.906 20 0 GCADHM CC(C)c1nnc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC001574435248 948992223 /nfs/dbraw/zinc/99/22/23/948992223.db2.gz QUGCVLPDGXXCKC-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574090746 948993708 /nfs/dbraw/zinc/99/37/08/948993708.db2.gz NRJDRVJIWJMPJC-PIGZYNQJSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574090746 948993725 /nfs/dbraw/zinc/99/37/25/948993725.db2.gz NRJDRVJIWJMPJC-PIGZYNQJSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nnc(CNC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)s1 ZINC001574435398 948993942 /nfs/dbraw/zinc/99/39/42/948993942.db2.gz UUTXHPJLPHOBDZ-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nnc(CNC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)s1 ZINC001574435398 948993952 /nfs/dbraw/zinc/99/39/52/948993952.db2.gz UUTXHPJLPHOBDZ-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574090745 948994693 /nfs/dbraw/zinc/99/46/93/948994693.db2.gz NRJDRVJIWJMPJC-GTNSWQLSSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574090745 948994703 /nfs/dbraw/zinc/99/47/03/948994703.db2.gz NRJDRVJIWJMPJC-GTNSWQLSSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001573773982 948996274 /nfs/dbraw/zinc/99/62/74/948996274.db2.gz HLSZONRONOIJIZ-OCCSQVGLSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001573773982 948996284 /nfs/dbraw/zinc/99/62/84/948996284.db2.gz HLSZONRONOIJIZ-OCCSQVGLSA-N -1 3 389.460 0.746 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001575501324 949007601 /nfs/dbraw/zinc/00/76/01/949007601.db2.gz GCTQHPUTUZVYFY-ZYIUAKIQSA-N -1 3 392.423 0.675 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001575501324 949007618 /nfs/dbraw/zinc/00/76/18/949007618.db2.gz GCTQHPUTUZVYFY-ZYIUAKIQSA-N -1 3 392.423 0.675 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439516 949007760 /nfs/dbraw/zinc/00/77/60/949007760.db2.gz GFAUDEKDBJLXQQ-ZJUUUORDSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439516 949007773 /nfs/dbraw/zinc/00/77/73/949007773.db2.gz GFAUDEKDBJLXQQ-ZJUUUORDSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574926519 949007818 /nfs/dbraw/zinc/00/78/18/949007818.db2.gz SXSGFKJUQCNRNV-ZDUSSCGKSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574926519 949007824 /nfs/dbraw/zinc/00/78/24/949007824.db2.gz SXSGFKJUQCNRNV-ZDUSSCGKSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575501293 949007897 /nfs/dbraw/zinc/00/78/97/949007897.db2.gz FJKLRUUBQIHTCR-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575501293 949007917 /nfs/dbraw/zinc/00/79/17/949007917.db2.gz FJKLRUUBQIHTCR-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574439481 949008642 /nfs/dbraw/zinc/00/86/42/949008642.db2.gz FOXVEAYRNGVVEK-PHIMTYICSA-N -1 3 383.420 0.131 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574439481 949008655 /nfs/dbraw/zinc/00/86/55/949008655.db2.gz FOXVEAYRNGVVEK-PHIMTYICSA-N -1 3 383.420 0.131 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)c1cccnc1 ZINC001573774561 949012402 /nfs/dbraw/zinc/01/24/02/949012402.db2.gz VNLGWZAMYVJOMQ-AWEZNQCLSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC001573774561 949012420 /nfs/dbraw/zinc/01/24/20/949012420.db2.gz VNLGWZAMYVJOMQ-AWEZNQCLSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)c1noc(CN[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)n1 ZINC001574439791 949013092 /nfs/dbraw/zinc/01/30/92/949013092.db2.gz IOUQWINNAJSALN-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CN[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)n1 ZINC001574439791 949013109 /nfs/dbraw/zinc/01/31/09/949013109.db2.gz IOUQWINNAJSALN-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)c1cccnc1 ZINC001573774562 949014703 /nfs/dbraw/zinc/01/47/03/949014703.db2.gz VNLGWZAMYVJOMQ-CQSZACIVSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC001573774562 949014720 /nfs/dbraw/zinc/01/47/20/949014720.db2.gz VNLGWZAMYVJOMQ-CQSZACIVSA-N -1 3 382.428 0.524 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574926730 949014714 /nfs/dbraw/zinc/01/47/14/949014714.db2.gz WEHVUDQKVVHBGP-CYBMUJFWSA-N -1 3 386.460 0.605 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574926730 949014729 /nfs/dbraw/zinc/01/47/29/949014729.db2.gz WEHVUDQKVVHBGP-CYBMUJFWSA-N -1 3 386.460 0.605 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574691411 949019673 /nfs/dbraw/zinc/01/96/73/949019673.db2.gz XJPHSDCREZOTDX-SNVBAGLBSA-N -1 3 385.436 0.624 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574691411 949019681 /nfs/dbraw/zinc/01/96/81/949019681.db2.gz XJPHSDCREZOTDX-SNVBAGLBSA-N -1 3 385.436 0.624 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001575502222 949022914 /nfs/dbraw/zinc/02/29/14/949022914.db2.gz JAWHUHOULAFLNR-QEJZJMRPSA-N -1 3 392.423 0.914 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001575502222 949022937 /nfs/dbraw/zinc/02/29/37/949022937.db2.gz JAWHUHOULAFLNR-QEJZJMRPSA-N -1 3 392.423 0.914 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574091654 949024432 /nfs/dbraw/zinc/02/44/32/949024432.db2.gz PUYARIPBARSMSS-ACJLOTCBSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574091654 949024453 /nfs/dbraw/zinc/02/44/53/949024453.db2.gz PUYARIPBARSMSS-ACJLOTCBSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575246508 949032291 /nfs/dbraw/zinc/03/22/91/949032291.db2.gz GSLXSXHEKLRXBM-RYUDHWBXSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575246508 949032308 /nfs/dbraw/zinc/03/23/08/949032308.db2.gz GSLXSXHEKLRXBM-RYUDHWBXSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575246009 949033132 /nfs/dbraw/zinc/03/31/32/949033132.db2.gz FZTGNNZJBMVVOP-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575246009 949033116 /nfs/dbraw/zinc/03/31/16/949033116.db2.gz FZTGNNZJBMVVOP-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575246604 949039110 /nfs/dbraw/zinc/03/91/10/949039110.db2.gz HBPLOBZGGZQBAJ-RYUDHWBXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574440856 949039161 /nfs/dbraw/zinc/03/91/61/949039161.db2.gz WQZGDKWHHHZYGK-SNVBAGLBSA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574440856 949039180 /nfs/dbraw/zinc/03/91/80/949039180.db2.gz WQZGDKWHHHZYGK-SNVBAGLBSA-N -1 3 389.445 0.439 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575246604 949039129 /nfs/dbraw/zinc/03/91/29/949039129.db2.gz HBPLOBZGGZQBAJ-RYUDHWBXSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575246599 949041648 /nfs/dbraw/zinc/04/16/48/949041648.db2.gz HBPLOBZGGZQBAJ-NEPJUHHUSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575246599 949041668 /nfs/dbraw/zinc/04/16/68/949041668.db2.gz HBPLOBZGGZQBAJ-NEPJUHHUSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574927758 949044243 /nfs/dbraw/zinc/04/42/43/949044243.db2.gz KNKBMUIVFGKIAU-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574927758 949044223 /nfs/dbraw/zinc/04/42/23/949044223.db2.gz KNKBMUIVFGKIAU-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCCO1 ZINC001573775534 949044396 /nfs/dbraw/zinc/04/43/96/949044396.db2.gz YSCWWEZVNJAGTI-HIFRSBDPSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCCO1 ZINC001573775534 949044411 /nfs/dbraw/zinc/04/44/11/949044411.db2.gz YSCWWEZVNJAGTI-HIFRSBDPSA-N -1 3 389.460 0.746 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574927750 949046271 /nfs/dbraw/zinc/04/62/71/949046271.db2.gz KJWZJLUNBGGJKR-GFCCVEGCSA-N -1 3 387.448 0.231 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574927750 949046254 /nfs/dbraw/zinc/04/62/54/949046254.db2.gz KJWZJLUNBGGJKR-GFCCVEGCSA-N -1 3 387.448 0.231 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574441084 949048361 /nfs/dbraw/zinc/04/83/61/949048361.db2.gz BGDWJSDPUFFSKU-SNVBAGLBSA-N -1 3 390.379 0.715 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574441084 949048379 /nfs/dbraw/zinc/04/83/79/949048379.db2.gz BGDWJSDPUFFSKU-SNVBAGLBSA-N -1 3 390.379 0.715 20 0 GCADHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001575503958 949055637 /nfs/dbraw/zinc/05/56/37/949055637.db2.gz QOTCSSTZWBWDPW-CVGURMSBSA-N -1 3 392.423 0.675 20 0 GCADHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001575503958 949055656 /nfs/dbraw/zinc/05/56/56/949055656.db2.gz QOTCSSTZWBWDPW-CVGURMSBSA-N -1 3 392.423 0.675 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574092244 949055788 /nfs/dbraw/zinc/05/57/88/949055788.db2.gz MVWAYRHTBUOBTB-OLZOCXBDSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574092244 949055804 /nfs/dbraw/zinc/05/58/04/949055804.db2.gz MVWAYRHTBUOBTB-OLZOCXBDSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nsc(CN[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574441235 949056742 /nfs/dbraw/zinc/05/67/42/949056742.db2.gz IISRVCBWXLQPLV-VIFPVBQESA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nsc(CN[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574441235 949056764 /nfs/dbraw/zinc/05/67/64/949056764.db2.gz IISRVCBWXLQPLV-VIFPVBQESA-N -1 3 391.461 0.050 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574928640 949057772 /nfs/dbraw/zinc/05/77/72/949057772.db2.gz PVHCKSYDWDHGFB-SNVBAGLBSA-N -1 3 391.411 0.123 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574928640 949057792 /nfs/dbraw/zinc/05/77/92/949057792.db2.gz PVHCKSYDWDHGFB-SNVBAGLBSA-N -1 3 391.411 0.123 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1c[nH]cn1 ZINC001573779272 949060644 /nfs/dbraw/zinc/06/06/44/949060644.db2.gz GAMGQAIEESVWJA-LBPRGKRZSA-N -1 3 381.444 0.905 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1c[nH]cn1 ZINC001573779272 949060664 /nfs/dbraw/zinc/06/06/64/949060664.db2.gz GAMGQAIEESVWJA-LBPRGKRZSA-N -1 3 381.444 0.905 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574928878 949061401 /nfs/dbraw/zinc/06/14/01/949061401.db2.gz RYEUZFPIWPYYPP-SNVBAGLBSA-N -1 3 386.441 0.670 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574928878 949061422 /nfs/dbraw/zinc/06/14/22/949061422.db2.gz RYEUZFPIWPYYPP-SNVBAGLBSA-N -1 3 386.441 0.670 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1c[nH]cn1 ZINC001573779491 949063541 /nfs/dbraw/zinc/06/35/41/949063541.db2.gz JZFZXEFMPBVPJB-LLVKDONJSA-N -1 3 382.432 0.300 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1c[nH]cn1 ZINC001573779491 949063561 /nfs/dbraw/zinc/06/35/61/949063561.db2.gz JZFZXEFMPBVPJB-LLVKDONJSA-N -1 3 382.432 0.300 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574928877 949064236 /nfs/dbraw/zinc/06/42/36/949064236.db2.gz RYEUZFPIWPYYPP-JTQLQIEISA-N -1 3 386.441 0.670 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574928877 949064259 /nfs/dbraw/zinc/06/42/59/949064259.db2.gz RYEUZFPIWPYYPP-JTQLQIEISA-N -1 3 386.441 0.670 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1c[nH]cn1 ZINC001573780040 949076013 /nfs/dbraw/zinc/07/60/13/949076013.db2.gz QITFPWRJGZBQJA-NSHDSACASA-N -1 3 382.432 0.443 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574929072 949076878 /nfs/dbraw/zinc/07/68/78/949076878.db2.gz XMRDPBKLBMCTJJ-SNVBAGLBSA-N -1 3 375.408 0.696 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574929072 949076859 /nfs/dbraw/zinc/07/68/59/949076859.db2.gz XMRDPBKLBMCTJJ-SNVBAGLBSA-N -1 3 375.408 0.696 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574929138 949077530 /nfs/dbraw/zinc/07/75/30/949077530.db2.gz ZDQOARLTSZUWCY-NSHDSACASA-N -1 3 389.435 0.469 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574929138 949077545 /nfs/dbraw/zinc/07/75/45/949077545.db2.gz ZDQOARLTSZUWCY-NSHDSACASA-N -1 3 389.435 0.469 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575248864 949079141 /nfs/dbraw/zinc/07/91/41/949079141.db2.gz WQQZGDDZFBDJOZ-RYUDHWBXSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575248864 949079127 /nfs/dbraw/zinc/07/91/27/949079127.db2.gz WQQZGDDZFBDJOZ-RYUDHWBXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574092815 949080151 /nfs/dbraw/zinc/08/01/51/949080151.db2.gz SVVPGKRUDZCLQB-OLZOCXBDSA-N -1 3 376.486 0.883 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC001573780079 949080571 /nfs/dbraw/zinc/08/05/71/949080571.db2.gz RCHXBYUNGBNLQJ-AWEZNQCLSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573780079 949080592 /nfs/dbraw/zinc/08/05/92/949080592.db2.gz RCHXBYUNGBNLQJ-AWEZNQCLSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1c[nH]cn1 ZINC001573780061 949081979 /nfs/dbraw/zinc/08/19/79/949081979.db2.gz QUUGPNITPWXORX-JTQLQIEISA-N -1 3 383.416 0.226 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)C(F)F ZINC001573780204 949082953 /nfs/dbraw/zinc/08/29/53/949082953.db2.gz SHWXXWCSSNQNPN-MRXNPFEDSA-N -1 3 381.387 0.610 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)C(F)F ZINC001573780204 949082974 /nfs/dbraw/zinc/08/29/74/949082974.db2.gz SHWXXWCSSNQNPN-MRXNPFEDSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575504751 949083334 /nfs/dbraw/zinc/08/33/34/949083334.db2.gz XGYOCHXXJMONDF-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575504751 949083354 /nfs/dbraw/zinc/08/33/54/949083354.db2.gz XGYOCHXXJMONDF-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573780228 949085405 /nfs/dbraw/zinc/08/54/05/949085405.db2.gz TURIRGYEEBQVAB-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573780228 949085428 /nfs/dbraw/zinc/08/54/28/949085428.db2.gz TURIRGYEEBQVAB-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575504600 949085821 /nfs/dbraw/zinc/08/58/21/949085821.db2.gz TWEMRWHYTNCEPD-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575504600 949085835 /nfs/dbraw/zinc/08/58/35/949085835.db2.gz TWEMRWHYTNCEPD-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575249226 949095831 /nfs/dbraw/zinc/09/58/31/949095831.db2.gz XVVKWDVDLHMOAX-GFCCVEGCSA-N -1 3 388.476 0.707 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575249226 949095849 /nfs/dbraw/zinc/09/58/49/949095849.db2.gz XVVKWDVDLHMOAX-GFCCVEGCSA-N -1 3 388.476 0.707 20 0 GCADHM CC(C)c1noc(CN[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574442419 949096178 /nfs/dbraw/zinc/09/61/78/949096178.db2.gz OBNQPEAEZZPAPX-KLPPZKSPSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575249404 949099658 /nfs/dbraw/zinc/09/96/58/949099658.db2.gz BNJMLFLDKYZMSF-BXKDBHETSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575249404 949099673 /nfs/dbraw/zinc/09/96/73/949099673.db2.gz BNJMLFLDKYZMSF-BXKDBHETSA-N -1 3 379.396 0.289 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574443115 949104190 /nfs/dbraw/zinc/10/41/90/949104190.db2.gz VBUQXJXIFDWVJU-NSHDSACASA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574443115 949104197 /nfs/dbraw/zinc/10/41/97/949104197.db2.gz VBUQXJXIFDWVJU-NSHDSACASA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574443208 949105828 /nfs/dbraw/zinc/10/58/28/949105828.db2.gz VZDUKBDEFKYTHT-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574443208 949105840 /nfs/dbraw/zinc/10/58/40/949105840.db2.gz VZDUKBDEFKYTHT-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM C[C@@H](CCNc1ncnc2c1ncn2C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574695425 949111176 /nfs/dbraw/zinc/11/11/76/949111176.db2.gz HKGTUECWEPWQBI-VIFPVBQESA-N -1 3 381.404 0.492 20 0 GCADHM C[C@@H](CCNc1ncnc2c1ncn2C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574695425 949111191 /nfs/dbraw/zinc/11/11/91/949111191.db2.gz HKGTUECWEPWQBI-VIFPVBQESA-N -1 3 381.404 0.492 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574931179 949113213 /nfs/dbraw/zinc/11/32/13/949113213.db2.gz OHMVGVSNOKJRBP-GXSJLCMTSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574931179 949113222 /nfs/dbraw/zinc/11/32/22/949113222.db2.gz OHMVGVSNOKJRBP-GXSJLCMTSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574931181 949114996 /nfs/dbraw/zinc/11/49/96/949114996.db2.gz OHMVGVSNOKJRBP-KOLCDFICSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574931181 949115009 /nfs/dbraw/zinc/11/50/09/949115009.db2.gz OHMVGVSNOKJRBP-KOLCDFICSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574931748 949120667 /nfs/dbraw/zinc/12/06/67/949120667.db2.gz RSHDWRVLBYMNSW-JSGCOSHPSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574931678 949120770 /nfs/dbraw/zinc/12/07/70/949120770.db2.gz QQRQDQBKZNZWMY-LBPRGKRZSA-N -1 3 389.460 0.884 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574931748 949120681 /nfs/dbraw/zinc/12/06/81/949120681.db2.gz RSHDWRVLBYMNSW-JSGCOSHPSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574931678 949120789 /nfs/dbraw/zinc/12/07/89/949120789.db2.gz QQRQDQBKZNZWMY-LBPRGKRZSA-N -1 3 389.460 0.884 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575250997 949125810 /nfs/dbraw/zinc/12/58/10/949125810.db2.gz JVGGNLSZBMELAP-QWHCGFSZSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575250997 949125795 /nfs/dbraw/zinc/12/57/95/949125795.db2.gz JVGGNLSZBMELAP-QWHCGFSZSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@](CNC(=O)COCC1CC1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574932162 949130991 /nfs/dbraw/zinc/13/09/91/949130991.db2.gz VJVDUWXWYFMKQK-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)COCC1CC1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574932162 949131006 /nfs/dbraw/zinc/13/10/06/949131006.db2.gz VJVDUWXWYFMKQK-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)c1ocnc1C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1 ZINC001574446448 949135112 /nfs/dbraw/zinc/13/51/12/949135112.db2.gz QGCILRUFCWGDLV-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM CC(C)c1ocnc1C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1 ZINC001574446448 949135128 /nfs/dbraw/zinc/13/51/28/949135128.db2.gz QGCILRUFCWGDLV-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM C[C@@H](c1ccccc1)[C@H](O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575512203 949139684 /nfs/dbraw/zinc/13/96/84/949139684.db2.gz NCEUUDXPYFJGNF-YVEFUNNKSA-N -1 3 381.440 0.773 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575251425 949140157 /nfs/dbraw/zinc/14/01/57/949140157.db2.gz NAQQTBZOOSMGJS-HTQZYQBOSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)C(F)(F)F)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575251425 949140170 /nfs/dbraw/zinc/14/01/70/949140170.db2.gz NAQQTBZOOSMGJS-HTQZYQBOSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574932399 949140323 /nfs/dbraw/zinc/14/03/23/949140323.db2.gz ZJRVVVRYIQKOJK-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574932399 949140337 /nfs/dbraw/zinc/14/03/37/949140337.db2.gz ZJRVVVRYIQKOJK-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](NC(=O)[C@H](C)C(F)(F)F)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575251428 949141310 /nfs/dbraw/zinc/14/13/10/949141310.db2.gz NAQQTBZOOSMGJS-YUMQZZPRSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@H](NC(=O)[C@H](C)C(F)(F)F)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575251428 949141331 /nfs/dbraw/zinc/14/13/31/949141331.db2.gz NAQQTBZOOSMGJS-YUMQZZPRSA-N -1 3 385.350 0.970 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574446915 949146058 /nfs/dbraw/zinc/14/60/58/949146058.db2.gz ASLRUQQQWBJLPS-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574446915 949146075 /nfs/dbraw/zinc/14/60/75/949146075.db2.gz ASLRUQQQWBJLPS-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574933965 949147536 /nfs/dbraw/zinc/14/75/36/949147536.db2.gz ADHFSVIJUBHGJC-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574933965 949147545 /nfs/dbraw/zinc/14/75/45/949147545.db2.gz ADHFSVIJUBHGJC-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574934215 949152072 /nfs/dbraw/zinc/15/20/72/949152072.db2.gz CMBZEPADLCNQPJ-LBPRGKRZSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574934215 949152082 /nfs/dbraw/zinc/15/20/82/949152082.db2.gz CMBZEPADLCNQPJ-LBPRGKRZSA-N -1 3 385.432 0.153 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574447166 949153215 /nfs/dbraw/zinc/15/32/15/949153215.db2.gz IZISKSKNGIGFDG-JTQLQIEISA-N -1 3 390.379 0.715 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574447166 949153226 /nfs/dbraw/zinc/15/32/26/949153226.db2.gz IZISKSKNGIGFDG-JTQLQIEISA-N -1 3 390.379 0.715 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574447288 949153784 /nfs/dbraw/zinc/15/37/84/949153784.db2.gz JZJGRUMPLMBQTO-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574447288 949153794 /nfs/dbraw/zinc/15/37/94/949153794.db2.gz JZJGRUMPLMBQTO-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001575513904 949156070 /nfs/dbraw/zinc/15/60/70/949156070.db2.gz UJCOLMSLJRECSA-JTQLQIEISA-N -1 3 389.441 0.686 20 0 GCADHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001575513904 949156084 /nfs/dbraw/zinc/15/60/84/949156084.db2.gz UJCOLMSLJRECSA-JTQLQIEISA-N -1 3 389.441 0.686 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)C(F)F ZINC001573786962 949159408 /nfs/dbraw/zinc/15/94/08/949159408.db2.gz KLSPLXGDTQQGGD-ZJUUUORDSA-N -1 3 386.428 0.881 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O)C(F)F ZINC001573786962 949159425 /nfs/dbraw/zinc/15/94/25/949159425.db2.gz KLSPLXGDTQQGGD-ZJUUUORDSA-N -1 3 386.428 0.881 20 0 GCADHM C[C@H](NC(=O)C1(C)CCC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252317 949159557 /nfs/dbraw/zinc/15/95/57/949159557.db2.gz FEQVKNSDMSCYTD-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C1(C)CCC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252317 949159578 /nfs/dbraw/zinc/15/95/78/949159578.db2.gz FEQVKNSDMSCYTD-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001574697766 949159866 /nfs/dbraw/zinc/15/98/66/949159866.db2.gz BQPKTURSGBDYKK-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001574697766 949159877 /nfs/dbraw/zinc/15/98/77/949159877.db2.gz BQPKTURSGBDYKK-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574934457 949162444 /nfs/dbraw/zinc/16/24/44/949162444.db2.gz IMSYBWGBRGZVDH-SNVBAGLBSA-N -1 3 384.437 0.746 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574934457 949162455 /nfs/dbraw/zinc/16/24/55/949162455.db2.gz IMSYBWGBRGZVDH-SNVBAGLBSA-N -1 3 384.437 0.746 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1c[nH]cn1 ZINC001573787089 949162888 /nfs/dbraw/zinc/16/28/88/949162888.db2.gz NPHYMLJNEDODTC-PHIMTYICSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574697939 949166601 /nfs/dbraw/zinc/16/66/01/949166601.db2.gz DHKZRYSVZOFOSK-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574697939 949166621 /nfs/dbraw/zinc/16/66/21/949166621.db2.gz DHKZRYSVZOFOSK-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1ncccc1-c1nnn[n-]1 ZINC001574934575 949167704 /nfs/dbraw/zinc/16/77/04/949167704.db2.gz LGPHEALCIQPIFK-SNVBAGLBSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1ncccc1-c1nn[n-]n1 ZINC001574934575 949167712 /nfs/dbraw/zinc/16/77/12/949167712.db2.gz LGPHEALCIQPIFK-SNVBAGLBSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575252704 949170545 /nfs/dbraw/zinc/17/05/45/949170545.db2.gz RBXKTTNRDNNNFE-QWRGUYRKSA-N -1 3 383.416 0.229 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574447703 949170469 /nfs/dbraw/zinc/17/04/69/949170469.db2.gz YBCIREJBIORHMS-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574447703 949170484 /nfs/dbraw/zinc/17/04/84/949170484.db2.gz YBCIREJBIORHMS-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575252704 949170527 /nfs/dbraw/zinc/17/05/27/949170527.db2.gz RBXKTTNRDNNNFE-QWRGUYRKSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574934620 949170566 /nfs/dbraw/zinc/17/05/66/949170566.db2.gz MHLFZJGHGZLXOI-LLVKDONJSA-N -1 3 386.391 0.816 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574934620 949170579 /nfs/dbraw/zinc/17/05/79/949170579.db2.gz MHLFZJGHGZLXOI-LLVKDONJSA-N -1 3 386.391 0.816 20 0 GCADHM C[C@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575252722 949172411 /nfs/dbraw/zinc/17/24/11/949172411.db2.gz GYNXFVLHTWVAKH-NSHDSACASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575252722 949172424 /nfs/dbraw/zinc/17/24/24/949172424.db2.gz GYNXFVLHTWVAKH-NSHDSACASA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)c1c[nH]cn1 ZINC001573787343 949174384 /nfs/dbraw/zinc/17/43/84/949174384.db2.gz UPAIJGODEHKSDD-XYPYZODXSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C1CCC1 ZINC001573787319 949175362 /nfs/dbraw/zinc/17/53/62/949175362.db2.gz UVWAUVDVUVYQEW-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C1CCC1 ZINC001573787319 949175375 /nfs/dbraw/zinc/17/53/75/949175375.db2.gz UVWAUVDVUVYQEW-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)C1CCC1 ZINC001573787336 949175989 /nfs/dbraw/zinc/17/59/89/949175989.db2.gz VDWCCZCNPIDOIZ-ZIAGYGMSSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)C1CCC1 ZINC001573787336 949176003 /nfs/dbraw/zinc/17/60/03/949176003.db2.gz VDWCCZCNPIDOIZ-ZIAGYGMSSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1c[nH]cn1 ZINC001573787410 949177942 /nfs/dbraw/zinc/17/79/42/949177942.db2.gz XRCWQPVLUOCQFV-PHIMTYICSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575253102 949178557 /nfs/dbraw/zinc/17/85/57/949178557.db2.gz ILOYDODGHVYXCM-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575253102 949178572 /nfs/dbraw/zinc/17/85/72/949178572.db2.gz ILOYDODGHVYXCM-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934872 949183704 /nfs/dbraw/zinc/18/37/04/949183704.db2.gz UALRPHWACLFVGS-GFCCVEGCSA-N -1 3 383.412 0.756 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934872 949183720 /nfs/dbraw/zinc/18/37/20/949183720.db2.gz UALRPHWACLFVGS-GFCCVEGCSA-N -1 3 383.412 0.756 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934936 949186775 /nfs/dbraw/zinc/18/67/75/949186775.db2.gz VMZNZUNOENYHHN-SECBINFHSA-N -1 3 375.414 0.570 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934936 949186785 /nfs/dbraw/zinc/18/67/85/949186785.db2.gz VMZNZUNOENYHHN-SECBINFHSA-N -1 3 375.414 0.570 20 0 GCADHM CC(C)CC(=O)N(CCO)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574099884 949186740 /nfs/dbraw/zinc/18/67/40/949186740.db2.gz PNSHZDNTWJWBKB-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N(CCO)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574099884 949186748 /nfs/dbraw/zinc/18/67/48/949186748.db2.gz PNSHZDNTWJWBKB-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574448830 949190607 /nfs/dbraw/zinc/19/06/07/949190607.db2.gz MZDBOMWFKYYRTF-NSHDSACASA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574448830 949190616 /nfs/dbraw/zinc/19/06/16/949190616.db2.gz MZDBOMWFKYYRTF-NSHDSACASA-N -1 3 386.416 0.918 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574698437 949192237 /nfs/dbraw/zinc/19/22/37/949192237.db2.gz KRTTYFPICYFVFV-QWRGUYRKSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574698437 949192245 /nfs/dbraw/zinc/19/22/45/949192245.db2.gz KRTTYFPICYFVFV-QWRGUYRKSA-N -1 3 381.462 0.201 20 0 GCADHM CC(C)c1ocnc1CN1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574448902 949195902 /nfs/dbraw/zinc/19/59/02/949195902.db2.gz PFOSBOBNVNDLGI-UHFFFAOYSA-N -1 3 386.416 0.283 20 0 GCADHM CC(C)c1ocnc1CN1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574448902 949195922 /nfs/dbraw/zinc/19/59/22/949195922.db2.gz PFOSBOBNVNDLGI-UHFFFAOYSA-N -1 3 386.416 0.283 20 0 GCADHM CC(C)c1oncc1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574449381 949196569 /nfs/dbraw/zinc/19/65/69/949196569.db2.gz QEJTZJFBYXXLTH-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM CC(C)c1oncc1C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574449381 949196581 /nfs/dbraw/zinc/19/65/81/949196581.db2.gz QEJTZJFBYXXLTH-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574935591 949200396 /nfs/dbraw/zinc/20/03/96/949200396.db2.gz CSWSHAWJTYMATJ-LLVKDONJSA-N -1 3 380.412 0.520 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574935591 949200416 /nfs/dbraw/zinc/20/04/16/949200416.db2.gz CSWSHAWJTYMATJ-LLVKDONJSA-N -1 3 380.412 0.520 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573788546 949201122 /nfs/dbraw/zinc/20/11/22/949201122.db2.gz LYCDPFYILYFFPL-VIFPVBQESA-N -1 3 378.824 0.439 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573788546 949201141 /nfs/dbraw/zinc/20/11/41/949201141.db2.gz LYCDPFYILYFFPL-VIFPVBQESA-N -1 3 378.824 0.439 20 0 GCADHM CC(C)c1ocnc1CN1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574449423 949201396 /nfs/dbraw/zinc/20/13/96/949201396.db2.gz RTIIMUSVOJIRFP-UHFFFAOYSA-N -1 3 386.416 0.283 20 0 GCADHM CC(C)c1ocnc1CN1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574449423 949201415 /nfs/dbraw/zinc/20/14/15/949201415.db2.gz RTIIMUSVOJIRFP-UHFFFAOYSA-N -1 3 386.416 0.283 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575254472 949201800 /nfs/dbraw/zinc/20/18/00/949201800.db2.gz WDNAVYOZNDALDA-SKDRFNHKSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574935435 949201644 /nfs/dbraw/zinc/20/16/44/949201644.db2.gz CEJFWNWDQKJTEC-NSHDSACASA-N -1 3 380.412 0.520 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574935435 949201659 /nfs/dbraw/zinc/20/16/59/949201659.db2.gz CEJFWNWDQKJTEC-NSHDSACASA-N -1 3 380.412 0.520 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575254472 949201819 /nfs/dbraw/zinc/20/18/19/949201819.db2.gz WDNAVYOZNDALDA-SKDRFNHKSA-N -1 3 379.396 0.289 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574449900 949207491 /nfs/dbraw/zinc/20/74/91/949207491.db2.gz VEHBONCMKKQKRN-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574449900 949207508 /nfs/dbraw/zinc/20/75/08/949207508.db2.gz VEHBONCMKKQKRN-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001573788737 949207991 /nfs/dbraw/zinc/20/79/91/949207991.db2.gz VKNYDTMSNNKIEK-UHFFFAOYSA-N -1 3 376.396 0.419 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001573788737 949208011 /nfs/dbraw/zinc/20/80/11/949208011.db2.gz VKNYDTMSNNKIEK-UHFFFAOYSA-N -1 3 376.396 0.419 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CC[C@@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573788739 949209277 /nfs/dbraw/zinc/20/92/77/949209277.db2.gz VLKGGUKTTZKQGR-SNVBAGLBSA-N -1 3 390.423 0.563 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CC[C@@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573788739 949209296 /nfs/dbraw/zinc/20/92/96/949209296.db2.gz VLKGGUKTTZKQGR-SNVBAGLBSA-N -1 3 390.423 0.563 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)cn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574936244 949209645 /nfs/dbraw/zinc/20/96/45/949209645.db2.gz INMNWNOKFCGCEE-SNVBAGLBSA-N -1 3 386.391 0.454 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)cn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574936244 949209662 /nfs/dbraw/zinc/20/96/62/949209662.db2.gz INMNWNOKFCGCEE-SNVBAGLBSA-N -1 3 386.391 0.454 20 0 GCADHM C[C@H](CNC(=O)Cc1c(F)cccc1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574936115 949211091 /nfs/dbraw/zinc/21/10/91/949211091.db2.gz HJSNSEFRGJUZDP-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1c(F)cccc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574936115 949211110 /nfs/dbraw/zinc/21/11/10/949211110.db2.gz HJSNSEFRGJUZDP-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)(C)C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573791501 949218870 /nfs/dbraw/zinc/21/88/70/949218870.db2.gz AZONTHHOQJPTJI-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573791501 949218891 /nfs/dbraw/zinc/21/88/91/949218891.db2.gz AZONTHHOQJPTJI-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N1CC(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001574102961 949218876 /nfs/dbraw/zinc/21/88/76/949218876.db2.gz HCARUFCPQZJJJQ-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)CC(=O)N1CC(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001574102961 949218895 /nfs/dbraw/zinc/21/88/95/949218895.db2.gz HCARUFCPQZJJJQ-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575255091 949220309 /nfs/dbraw/zinc/22/03/09/949220309.db2.gz YBFOPWJEVDJLPP-RAIGVLPGSA-N -1 3 386.460 0.872 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575255091 949220332 /nfs/dbraw/zinc/22/03/32/949220332.db2.gz YBFOPWJEVDJLPP-RAIGVLPGSA-N -1 3 386.460 0.872 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573791511 949220806 /nfs/dbraw/zinc/22/08/06/949220806.db2.gz BCOXRIHDYFFWFE-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573791511 949220826 /nfs/dbraw/zinc/22/08/26/949220826.db2.gz BCOXRIHDYFFWFE-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001573791602 949227460 /nfs/dbraw/zinc/22/74/60/949227460.db2.gz CVJJIAUXCRHRFH-CYBMUJFWSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001573791602 949227477 /nfs/dbraw/zinc/22/74/77/949227477.db2.gz CVJJIAUXCRHRFH-CYBMUJFWSA-N -1 3 385.476 0.426 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575255208 949228482 /nfs/dbraw/zinc/22/84/82/949228482.db2.gz YMWPRQZRKPKQBJ-CHWSQXEVSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575255208 949228507 /nfs/dbraw/zinc/22/85/07/949228507.db2.gz YMWPRQZRKPKQBJ-CHWSQXEVSA-N -1 3 388.476 0.678 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCO2 ZINC001573791893 949228943 /nfs/dbraw/zinc/22/89/43/949228943.db2.gz HRIKHJXJZVLHGF-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001573791893 949228965 /nfs/dbraw/zinc/22/89/65/949228965.db2.gz HRIKHJXJZVLHGF-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574937754 949229653 /nfs/dbraw/zinc/22/96/53/949229653.db2.gz QHCVCCXEYIQJGF-VIFPVBQESA-N -1 3 384.400 0.537 20 0 GCADHM C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574937754 949229674 /nfs/dbraw/zinc/22/96/74/949229674.db2.gz QHCVCCXEYIQJGF-VIFPVBQESA-N -1 3 384.400 0.537 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575255474 949230600 /nfs/dbraw/zinc/23/06/00/949230600.db2.gz QFOIXFJTEOEZDT-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575255474 949230616 /nfs/dbraw/zinc/23/06/16/949230616.db2.gz QFOIXFJTEOEZDT-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001574451437 949230815 /nfs/dbraw/zinc/23/08/15/949230815.db2.gz PMZGYFYTJQLJCO-ZIAGYGMSSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001574451437 949230832 /nfs/dbraw/zinc/23/08/32/949230832.db2.gz PMZGYFYTJQLJCO-ZIAGYGMSSA-N -1 3 384.400 0.353 20 0 GCADHM C[C@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575255381 949231688 /nfs/dbraw/zinc/23/16/88/949231688.db2.gz PVUUELOYJHTUGY-NSHDSACASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575255381 949231713 /nfs/dbraw/zinc/23/17/13/949231713.db2.gz PVUUELOYJHTUGY-NSHDSACASA-N -1 3 387.444 0.588 20 0 GCADHM 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CC(C)c1oncc1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574451697 949240494 /nfs/dbraw/zinc/24/04/94/949240494.db2.gz UXLBNHNQYWPLAH-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](c1nc(N)nc(Cl)n1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001575520949 949243010 /nfs/dbraw/zinc/24/30/10/949243010.db2.gz AUXQRBPIUXXXMJ-VIFPVBQESA-N -1 3 387.839 0.566 20 0 GCADHM C[C@@H](c1nc(N)nc(Cl)n1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001575520949 949243038 /nfs/dbraw/zinc/24/30/38/949243038.db2.gz AUXQRBPIUXXXMJ-VIFPVBQESA-N -1 3 387.839 0.566 20 0 GCADHM C[C@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575256247 949248632 /nfs/dbraw/zinc/24/86/32/949248632.db2.gz ULQRWYPXSGWSCH-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](c1cnccn1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575520939 949248349 /nfs/dbraw/zinc/24/83/49/949248349.db2.gz ASEVSMNIUGODFJ-MQIPJXDCSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575256247 949248656 /nfs/dbraw/zinc/24/86/56/949248656.db2.gz ULQRWYPXSGWSCH-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001574451939 949249640 /nfs/dbraw/zinc/24/96/40/949249640.db2.gz BFJXDFUKECVJOV-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001574451939 949249659 /nfs/dbraw/zinc/24/96/59/949249659.db2.gz BFJXDFUKECVJOV-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574451951 949249832 /nfs/dbraw/zinc/24/98/32/949249832.db2.gz BRGOBIUFXRWYIN-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574451951 949249854 /nfs/dbraw/zinc/24/98/54/949249854.db2.gz BRGOBIUFXRWYIN-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576152318 949250531 /nfs/dbraw/zinc/25/05/31/949250531.db2.gz INVUOLRUUDMQDD-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576152318 949250549 /nfs/dbraw/zinc/25/05/49/949250549.db2.gz INVUOLRUUDMQDD-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@H](N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573792490 949251185 /nfs/dbraw/zinc/25/11/85/949251185.db2.gz PQHVMGCXEBAKAX-ZDUSSCGKSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)CC(=O)N1CCC(N(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574103530 949251823 /nfs/dbraw/zinc/25/18/23/949251823.db2.gz VZEARPMBQMMVTA-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N1CCC(N(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574103530 949251841 /nfs/dbraw/zinc/25/18/41/949251841.db2.gz VZEARPMBQMMVTA-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM C[C@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575521188 949253545 /nfs/dbraw/zinc/25/35/45/949253545.db2.gz DHACPSMIOZQYCX-DGCLKSJQSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575521188 949253558 /nfs/dbraw/zinc/25/35/58/949253558.db2.gz DHACPSMIOZQYCX-DGCLKSJQSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@]1(c2cccc(CNC(=O)c3csc(-c4nnn[n-]4)c3)c2)NC(=O)NC1=O ZINC001575856709 949255501 /nfs/dbraw/zinc/25/55/01/949255501.db2.gz IXKZBAKSKPVANH-QGZVFWFLSA-N -1 3 397.420 0.913 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001575521253 949255180 /nfs/dbraw/zinc/25/51/80/949255180.db2.gz DVNOZKHYPNZGTC-IJLUTSLNSA-N -1 3 384.448 0.382 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521534 949257762 /nfs/dbraw/zinc/25/77/62/949257762.db2.gz GHVXFYMKPNHOMS-WDEREUQCSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521534 949257783 /nfs/dbraw/zinc/25/77/83/949257783.db2.gz GHVXFYMKPNHOMS-WDEREUQCSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576152649 949257868 /nfs/dbraw/zinc/25/78/68/949257868.db2.gz KAQFIGYJODHTMO-BETUJISGSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576152649 949257887 /nfs/dbraw/zinc/25/78/87/949257887.db2.gz KAQFIGYJODHTMO-BETUJISGSA-N -1 3 388.476 0.646 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573792667 949260323 /nfs/dbraw/zinc/26/03/23/949260323.db2.gz CKNJJHAOKCBLJB-QGZVFWFLSA-N -1 3 392.485 0.596 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573792667 949260343 /nfs/dbraw/zinc/26/03/43/949260343.db2.gz CKNJJHAOKCBLJB-QGZVFWFLSA-N -1 3 392.485 0.596 20 0 GCADHM C[C@@H](c1csnn1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575521931 949266262 /nfs/dbraw/zinc/26/62/62/949266262.db2.gz IGFPKXKICHTLAT-IMSIIYSGSA-N -1 3 385.457 0.954 20 0 GCADHM C[C@@H](c1csnn1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575521931 949266277 /nfs/dbraw/zinc/26/62/77/949266277.db2.gz IGFPKXKICHTLAT-IMSIIYSGSA-N -1 3 385.457 0.954 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574702088 949271764 /nfs/dbraw/zinc/27/17/64/949271764.db2.gz GMUHHBFUFKYOKA-GWCFXTLKSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574702088 949271785 /nfs/dbraw/zinc/27/17/85/949271785.db2.gz GMUHHBFUFKYOKA-GWCFXTLKSA-N -1 3 389.464 0.604 20 0 GCADHM CC(C)CC(=O)N1CCC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574106072 949273073 /nfs/dbraw/zinc/27/30/73/949273073.db2.gz DFDNZHKNONSQQU-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N1CCC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574106072 949273091 /nfs/dbraw/zinc/27/30/91/949273091.db2.gz DFDNZHKNONSQQU-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574702089 949274052 /nfs/dbraw/zinc/27/40/52/949274052.db2.gz GMUHHBFUFKYOKA-GXFFZTMASA-N -1 3 389.464 0.604 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574702089 949274067 /nfs/dbraw/zinc/27/40/67/949274067.db2.gz GMUHHBFUFKYOKA-GXFFZTMASA-N -1 3 389.464 0.604 20 0 GCADHM CC1(Nc2ncccc2-c2nnn[n-]2)CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001575857834 949276790 /nfs/dbraw/zinc/27/67/90/949276790.db2.gz WOXWNHFSUODLRO-UHFFFAOYSA-N -1 3 381.400 0.864 20 0 GCADHM CC1(Nc2ncccc2-c2nn[n-]n2)CCN(C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001575857834 949276805 /nfs/dbraw/zinc/27/68/05/949276805.db2.gz WOXWNHFSUODLRO-UHFFFAOYSA-N -1 3 381.400 0.864 20 0 GCADHM CC(C)n1cc(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cn1 ZINC001574453162 949279298 /nfs/dbraw/zinc/27/92/98/949279298.db2.gz XRBRCOFIIUBFRG-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1cc(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC001574453162 949279318 /nfs/dbraw/zinc/27/93/18/949279318.db2.gz XRBRCOFIIUBFRG-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575522986 949282974 /nfs/dbraw/zinc/28/29/74/949282974.db2.gz NVCQFERVJBLEBH-NSHDSACASA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575522986 949282994 /nfs/dbraw/zinc/28/29/94/949282994.db2.gz NVCQFERVJBLEBH-NSHDSACASA-N -1 3 384.448 0.621 20 0 GCADHM CC1=C(C(=O)NC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCO1 ZINC001575860045 949288310 /nfs/dbraw/zinc/28/83/10/949288310.db2.gz BKRARIRHLOTHAY-HNNXBMFYSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCO1 ZINC001575860045 949288331 /nfs/dbraw/zinc/28/83/31/949288331.db2.gz BKRARIRHLOTHAY-HNNXBMFYSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575523082 949288744 /nfs/dbraw/zinc/28/87/44/949288744.db2.gz PFIXQDPYZBUWLX-VHSXEESVSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575523082 949288763 /nfs/dbraw/zinc/28/87/63/949288763.db2.gz PFIXQDPYZBUWLX-VHSXEESVSA-N -1 3 389.445 0.238 20 0 GCADHM CC(C)n1cc(CN(C)CCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001574454763 949289628 /nfs/dbraw/zinc/28/96/28/949289628.db2.gz CSVGGXDSKDSKID-UHFFFAOYSA-N -1 3 386.464 0.961 20 0 GCADHM CC(C)n1cc(CN(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001574454763 949289650 /nfs/dbraw/zinc/28/96/50/949289650.db2.gz CSVGGXDSKDSKID-UHFFFAOYSA-N -1 3 386.464 0.961 20 0 GCADHM C[C@@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001575523391 949290734 /nfs/dbraw/zinc/29/07/34/949290734.db2.gz PTXUTWFCAILHIF-RSXIPKFTSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001575523391 949290748 /nfs/dbraw/zinc/29/07/48/949290748.db2.gz PTXUTWFCAILHIF-RSXIPKFTSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001575523394 949292381 /nfs/dbraw/zinc/29/23/81/949292381.db2.gz PTXUTWFCAILHIF-TWJQMWNJSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001575523394 949292395 /nfs/dbraw/zinc/29/23/95/949292395.db2.gz PTXUTWFCAILHIF-TWJQMWNJSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575523523 949297557 /nfs/dbraw/zinc/29/75/57/949297557.db2.gz QRHZYGWLNGAABU-VIFPVBQESA-N -1 3 383.416 0.878 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575523523 949297563 /nfs/dbraw/zinc/29/75/63/949297563.db2.gz QRHZYGWLNGAABU-VIFPVBQESA-N -1 3 383.416 0.878 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575523824 949300641 /nfs/dbraw/zinc/30/06/41/949300641.db2.gz DNBOHHMIIUHMRO-JTQLQIEISA-N -1 3 385.436 0.281 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575523824 949300665 /nfs/dbraw/zinc/30/06/65/949300665.db2.gz DNBOHHMIIUHMRO-JTQLQIEISA-N -1 3 385.436 0.281 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001575523875 949301705 /nfs/dbraw/zinc/30/17/05/949301705.db2.gz RHLBHWVOULMAOQ-GXFFZTMASA-N -1 3 384.448 0.525 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001575523875 949301726 /nfs/dbraw/zinc/30/17/26/949301726.db2.gz RHLBHWVOULMAOQ-GXFFZTMASA-N -1 3 384.448 0.525 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574455287 949302694 /nfs/dbraw/zinc/30/26/94/949302694.db2.gz NOVRCGLPBFEYNU-AOOOYVTPSA-N -1 3 384.404 0.058 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574455287 949302718 /nfs/dbraw/zinc/30/27/18/949302718.db2.gz NOVRCGLPBFEYNU-AOOOYVTPSA-N -1 3 384.404 0.058 20 0 GCADHM CC(C)n1cc(CN(C)[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574455363 949305125 /nfs/dbraw/zinc/30/51/25/949305125.db2.gz PBLULSKMRJBICB-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN(C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574455363 949305146 /nfs/dbraw/zinc/30/51/46/949305146.db2.gz PBLULSKMRJBICB-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575258696 949306174 /nfs/dbraw/zinc/30/61/74/949306174.db2.gz JMVGMKKAYCNSSV-CQDKDKBSSA-N -1 3 380.412 0.474 20 0 GCADHM C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575258696 949306195 /nfs/dbraw/zinc/30/61/95/949306195.db2.gz JMVGMKKAYCNSSV-CQDKDKBSSA-N -1 3 380.412 0.474 20 0 GCADHM CC(C)(C)C(=O)N1CCN([C@@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001573793955 949306640 /nfs/dbraw/zinc/30/66/40/949306640.db2.gz AAPMDEQWDHJUKH-CYBMUJFWSA-N -1 3 385.476 0.426 20 0 GCADHM C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575258700 949307694 /nfs/dbraw/zinc/30/76/94/949307694.db2.gz JMVGMKKAYCNSSV-NILFDRSVSA-N -1 3 380.412 0.474 20 0 GCADHM C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575258700 949307708 /nfs/dbraw/zinc/30/77/08/949307708.db2.gz JMVGMKKAYCNSSV-NILFDRSVSA-N -1 3 380.412 0.474 20 0 GCADHM CC1=C(C(=O)NC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCO1 ZINC001575860676 949310518 /nfs/dbraw/zinc/31/05/18/949310518.db2.gz LBVNDOYUFAVNLQ-HNNXBMFYSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCO1 ZINC001575860676 949310540 /nfs/dbraw/zinc/31/05/40/949310540.db2.gz LBVNDOYUFAVNLQ-HNNXBMFYSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@H](c1cnccn1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575524134 949314210 /nfs/dbraw/zinc/31/42/10/949314210.db2.gz SGDLENKCHOYVLG-XHBSWPGZSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@H](c1cnccn1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575524134 949314231 /nfs/dbraw/zinc/31/42/31/949314231.db2.gz SGDLENKCHOYVLG-XHBSWPGZSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524412 949314907 /nfs/dbraw/zinc/31/49/07/949314907.db2.gz IIEXHQRJDCJVQM-ONGXEEELSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524412 949314925 /nfs/dbraw/zinc/31/49/25/949314925.db2.gz IIEXHQRJDCJVQM-ONGXEEELSA-N -1 3 383.420 0.082 20 0 GCADHM CC(C)n1ccc(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001574457230 949315089 /nfs/dbraw/zinc/31/50/89/949315089.db2.gz CNRGIDPOIJINHR-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1ccc(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001574457230 949315108 /nfs/dbraw/zinc/31/51/08/949315108.db2.gz CNRGIDPOIJINHR-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@]12CN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nnn[n-]4)c3)C[C@@]1(C)C(=O)NC2=O ZINC001575860945 949315759 /nfs/dbraw/zinc/31/57/59/949315759.db2.gz NUXWZOKXFFCLBS-ATNYCFDYSA-N -1 3 380.408 0.481 20 0 GCADHM C[C@@]12CN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nn[n-]n4)c3)C[C@@]1(C)C(=O)NC2=O ZINC001575860945 949315778 /nfs/dbraw/zinc/31/57/78/949315778.db2.gz NUXWZOKXFFCLBS-ATNYCFDYSA-N -1 3 380.408 0.481 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H](C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574457149 949315731 /nfs/dbraw/zinc/31/57/31/949315731.db2.gz APLAAHJBFZKEJZ-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H](C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574457149 949315757 /nfs/dbraw/zinc/31/57/57/949315757.db2.gz APLAAHJBFZKEJZ-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524409 949318877 /nfs/dbraw/zinc/31/88/77/949318877.db2.gz IIEXHQRJDCJVQM-GXSJLCMTSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524409 949318898 /nfs/dbraw/zinc/31/88/98/949318898.db2.gz IIEXHQRJDCJVQM-GXSJLCMTSA-N -1 3 383.420 0.082 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574457330 949321205 /nfs/dbraw/zinc/32/12/05/949321205.db2.gz GYDFKOCKNYHCPS-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574457330 949321228 /nfs/dbraw/zinc/32/12/28/949321228.db2.gz GYDFKOCKNYHCPS-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575259405 949321788 /nfs/dbraw/zinc/32/17/88/949321788.db2.gz NYCHYHXJTLXCSR-YPMHNXCESA-N -1 3 385.428 0.508 20 0 GCADHM C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575259405 949321813 /nfs/dbraw/zinc/32/18/13/949321813.db2.gz NYCHYHXJTLXCSR-YPMHNXCESA-N -1 3 385.428 0.508 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574457323 949323970 /nfs/dbraw/zinc/32/39/70/949323970.db2.gz GJOKVVNPSNLEAK-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574457323 949323988 /nfs/dbraw/zinc/32/39/88/949323988.db2.gz GJOKVVNPSNLEAK-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001575861512 949324713 /nfs/dbraw/zinc/32/47/13/949324713.db2.gz SSEIETMLPBHYKH-ZDUSSCGKSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001575861512 949324729 /nfs/dbraw/zinc/32/47/29/949324729.db2.gz SSEIETMLPBHYKH-ZDUSSCGKSA-N -1 3 385.428 0.952 20 0 GCADHM CC(C)CC(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001574109736 949325531 /nfs/dbraw/zinc/32/55/31/949325531.db2.gz BTQSSYXWGQWIGX-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CC(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001574109736 949325544 /nfs/dbraw/zinc/32/55/44/949325544.db2.gz BTQSSYXWGQWIGX-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575861280 949326220 /nfs/dbraw/zinc/32/62/20/949326220.db2.gz RRFVJKHVQKHVAE-LBPRGKRZSA-N -1 3 385.428 0.858 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575861280 949326233 /nfs/dbraw/zinc/32/62/33/949326233.db2.gz RRFVJKHVQKHVAE-LBPRGKRZSA-N -1 3 385.428 0.858 20 0 GCADHM CC1=C(C(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)Cn2nnnc2N1C ZINC001575861490 949326643 /nfs/dbraw/zinc/32/66/43/949326643.db2.gz RZCKYDNYBBCANT-UHFFFAOYSA-N -1 3 392.427 0.768 20 0 GCADHM CC1=C(C(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)Cn2nnnc2N1C ZINC001575861490 949326666 /nfs/dbraw/zinc/32/66/66/949326666.db2.gz RZCKYDNYBBCANT-UHFFFAOYSA-N -1 3 392.427 0.768 20 0 GCADHM CC(C)(C)C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573795438 949327045 /nfs/dbraw/zinc/32/70/45/949327045.db2.gz MYOSEFCBFPSQFQ-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573795438 949327064 /nfs/dbraw/zinc/32/70/64/949327064.db2.gz MYOSEFCBFPSQFQ-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](NC(=O)C1=COCCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575259458 949328435 /nfs/dbraw/zinc/32/84/35/949328435.db2.gz OSFOIVJGFVHXBR-RYUDHWBXSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](NC(=O)C1=COCCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575259458 949328457 /nfs/dbraw/zinc/32/84/57/949328457.db2.gz OSFOIVJGFVHXBR-RYUDHWBXSA-N -1 3 385.428 0.856 20 0 GCADHM CC(C)CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001574109768 949332815 /nfs/dbraw/zinc/33/28/15/949332815.db2.gz DFLSXFYOBWGJHB-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001574109768 949332847 /nfs/dbraw/zinc/33/28/47/949332847.db2.gz DFLSXFYOBWGJHB-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575259696 949332825 /nfs/dbraw/zinc/33/28/25/949332825.db2.gz PZQNQNUPCDWSHQ-NEPJUHHUSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575259696 949332845 /nfs/dbraw/zinc/33/28/45/949332845.db2.gz PZQNQNUPCDWSHQ-NEPJUHHUSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575861842 949333581 /nfs/dbraw/zinc/33/35/81/949333581.db2.gz VYXWNMUYSUNNOW-GFCCVEGCSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575861842 949333603 /nfs/dbraw/zinc/33/36/03/949333603.db2.gz VYXWNMUYSUNNOW-GFCCVEGCSA-N -1 3 385.428 1.000 20 0 GCADHM CC(C)n1ccc(C(=O)NCC[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574458134 949335716 /nfs/dbraw/zinc/33/57/16/949335716.db2.gz PKPMRMILEHIYSK-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1ccc(C(=O)NCC[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574458134 949335738 /nfs/dbraw/zinc/33/57/38/949335738.db2.gz PKPMRMILEHIYSK-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575525396 949337010 /nfs/dbraw/zinc/33/70/10/949337010.db2.gz NCOSOQDVGCNNBY-PWSUYJOCSA-N -1 3 385.436 0.064 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575525396 949337032 /nfs/dbraw/zinc/33/70/32/949337032.db2.gz NCOSOQDVGCNNBY-PWSUYJOCSA-N -1 3 385.436 0.064 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)CCCO1 ZINC001575862106 949337673 /nfs/dbraw/zinc/33/76/73/949337673.db2.gz XHOYKRKGSDCPHW-QMTHXVAHSA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)CCCO1 ZINC001575862106 949337696 /nfs/dbraw/zinc/33/76/96/949337696.db2.gz XHOYKRKGSDCPHW-QMTHXVAHSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575525252 949339580 /nfs/dbraw/zinc/33/95/80/949339580.db2.gz WXNARLDXYLKIRT-AAEUAGOBSA-N -1 3 384.448 0.669 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575525252 949339600 /nfs/dbraw/zinc/33/96/00/949339600.db2.gz WXNARLDXYLKIRT-AAEUAGOBSA-N -1 3 384.448 0.669 20 0 GCADHM CC1=C(C(=O)NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCCO1 ZINC001575862173 949339832 /nfs/dbraw/zinc/33/98/32/949339832.db2.gz YLQVWNVAAXMGHT-UHFFFAOYSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCCO1 ZINC001575862173 949339850 /nfs/dbraw/zinc/33/98/50/949339850.db2.gz YLQVWNVAAXMGHT-UHFFFAOYSA-N -1 3 385.428 1.000 20 0 GCADHM CC1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nc2)CC(F)(F)C1 ZINC001575525495 949343253 /nfs/dbraw/zinc/34/32/53/949343253.db2.gz OPXFSUNYWNUECM-UHFFFAOYSA-N -1 3 381.387 0.930 20 0 GCADHM CC1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nc2)CC(F)(F)C1 ZINC001575525495 949343280 /nfs/dbraw/zinc/34/32/80/949343280.db2.gz OPXFSUNYWNUECM-UHFFFAOYSA-N -1 3 381.387 0.930 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573796952 949345329 /nfs/dbraw/zinc/34/53/29/949345329.db2.gz YBQQEMRIFCLRPN-NSHDSACASA-N -1 3 378.458 0.818 20 0 GCADHM CC(C)n1ccc(CC(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574459468 949354629 /nfs/dbraw/zinc/35/46/29/949354629.db2.gz HWJJQNVBGUDCHO-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM CC(C)n1ccc(CC(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574459468 949354644 /nfs/dbraw/zinc/35/46/44/949354644.db2.gz HWJJQNVBGUDCHO-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM CC(C)CC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574110152 949354716 /nfs/dbraw/zinc/35/47/16/949354716.db2.gz SFONTKKMMRNNRB-FZMZJTMJSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574110152 949354734 /nfs/dbraw/zinc/35/47/34/949354734.db2.gz SFONTKKMMRNNRB-FZMZJTMJSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@](CNC(=O)Cc1ccon1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574942411 949356136 /nfs/dbraw/zinc/35/61/36/949356136.db2.gz NUCDSCIUIWKLLS-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)Cc1ccon1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574942411 949356156 /nfs/dbraw/zinc/35/61/56/949356156.db2.gz NUCDSCIUIWKLLS-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573798776 949357064 /nfs/dbraw/zinc/35/70/64/949357064.db2.gz FSVBSLOFIXDHLQ-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573798776 949357085 /nfs/dbraw/zinc/35/70/85/949357085.db2.gz FSVBSLOFIXDHLQ-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573798809 949357919 /nfs/dbraw/zinc/35/79/19/949357919.db2.gz HFIQHFNEBKCSBE-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573798809 949357944 /nfs/dbraw/zinc/35/79/44/949357944.db2.gz HFIQHFNEBKCSBE-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM CC(C)CC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574110269 949358602 /nfs/dbraw/zinc/35/86/02/949358602.db2.gz XHLPKTMYJIPQOO-QGZVFWFLSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574110269 949358628 /nfs/dbraw/zinc/35/86/28/949358628.db2.gz XHLPKTMYJIPQOO-QGZVFWFLSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@](CNC(=O)Cc1cc[nH]n1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574942471 949359217 /nfs/dbraw/zinc/35/92/17/949359217.db2.gz PEVSWWZGYBUHCD-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)Cc1cc[nH]n1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574942471 949359236 /nfs/dbraw/zinc/35/92/36/949359236.db2.gz PEVSWWZGYBUHCD-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260723 949363485 /nfs/dbraw/zinc/36/34/85/949363485.db2.gz XCDNWRCCQLPUKP-NEPJUHHUSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260723 949363508 /nfs/dbraw/zinc/36/35/08/949363508.db2.gz XCDNWRCCQLPUKP-NEPJUHHUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)n1ccc(CC(=O)N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574459609 949364653 /nfs/dbraw/zinc/36/46/53/949364653.db2.gz JTLBKKRTOVZBBT-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)n1ccc(CC(=O)N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574459609 949364676 /nfs/dbraw/zinc/36/46/76/949364676.db2.gz JTLBKKRTOVZBBT-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574942986 949371011 /nfs/dbraw/zinc/37/10/11/949371011.db2.gz URLIHMJXIQBGOM-GFCCVEGCSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574942986 949371036 /nfs/dbraw/zinc/37/10/36/949371036.db2.gz URLIHMJXIQBGOM-GFCCVEGCSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574704231 949375038 /nfs/dbraw/zinc/37/50/38/949375038.db2.gz BFIYUGPECGMWQI-GWCFXTLKSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574704231 949375059 /nfs/dbraw/zinc/37/50/59/949375059.db2.gz BFIYUGPECGMWQI-GWCFXTLKSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575865471 949376230 /nfs/dbraw/zinc/37/62/30/949376230.db2.gz ANLWIYSWCGGHPK-RKDXNWHRSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575865471 949376249 /nfs/dbraw/zinc/37/62/49/949376249.db2.gz ANLWIYSWCGGHPK-RKDXNWHRSA-N -1 3 379.371 0.959 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573799921 949379637 /nfs/dbraw/zinc/37/96/37/949379637.db2.gz QTRCVTKVEJGEKY-LBPRGKRZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573799921 949379657 /nfs/dbraw/zinc/37/96/57/949379657.db2.gz QTRCVTKVEJGEKY-LBPRGKRZSA-N -1 3 386.460 0.684 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574944309 949384805 /nfs/dbraw/zinc/38/48/05/949384805.db2.gz ABTPBIXUWXMHED-LURJTMIESA-N -1 3 382.841 0.278 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574944309 949384828 /nfs/dbraw/zinc/38/48/28/949384828.db2.gz ABTPBIXUWXMHED-LURJTMIESA-N -1 3 382.841 0.278 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCOC1)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575262788 949384754 /nfs/dbraw/zinc/38/47/54/949384754.db2.gz CDFDDPKQHCSJEO-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCOC1)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575262788 949384776 /nfs/dbraw/zinc/38/47/76/949384776.db2.gz CDFDDPKQHCSJEO-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575527954 949385212 /nfs/dbraw/zinc/38/52/12/949385212.db2.gz KFVPDMZWXQQITD-SCLBCKFNSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCOC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575527954 949385235 /nfs/dbraw/zinc/38/52/35/949385235.db2.gz KFVPDMZWXQQITD-SCLBCKFNSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1cnc(C(=O)NCC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001574463950 949393100 /nfs/dbraw/zinc/39/31/00/949393100.db2.gz CLXDSTMVUBXGFL-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1cnc(C(=O)NCC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001574463950 949393121 /nfs/dbraw/zinc/39/31/21/949393121.db2.gz CLXDSTMVUBXGFL-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCOC1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575263318 949393331 /nfs/dbraw/zinc/39/33/31/949393331.db2.gz FYEZBDFDBHWUIL-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCOC1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575263318 949393353 /nfs/dbraw/zinc/39/33/53/949393353.db2.gz FYEZBDFDBHWUIL-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573800608 949400132 /nfs/dbraw/zinc/40/01/32/949400132.db2.gz ZNOGYEYRARGXFP-NSHDSACASA-N -1 3 390.423 0.258 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573800608 949400152 /nfs/dbraw/zinc/40/01/52/949400152.db2.gz ZNOGYEYRARGXFP-NSHDSACASA-N -1 3 390.423 0.258 20 0 GCADHM CC1=CC[C@](C)(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)CC1 ZINC001575866249 949403416 /nfs/dbraw/zinc/40/34/16/949403416.db2.gz QPYUYLAXWRXOMC-CLCXKQKWSA-N -1 3 399.455 0.633 20 0 GCADHM CC1=CC[C@](C)(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)CC1 ZINC001575866249 949403420 /nfs/dbraw/zinc/40/34/20/949403420.db2.gz QPYUYLAXWRXOMC-CLCXKQKWSA-N -1 3 399.455 0.633 20 0 GCADHM C[C@@](CNC(=O)Cc1cnoc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574945041 949405258 /nfs/dbraw/zinc/40/52/58/949405258.db2.gz JHTGSVNVEGPOOI-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)Cc1cnoc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574945041 949405269 /nfs/dbraw/zinc/40/52/69/949405269.db2.gz JHTGSVNVEGPOOI-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001575263803 949405914 /nfs/dbraw/zinc/40/59/14/949405914.db2.gz JTBVSAUBRWYMNA-BDAKNGLRSA-N -1 3 382.421 0.356 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001575263803 949405927 /nfs/dbraw/zinc/40/59/27/949405927.db2.gz JTBVSAUBRWYMNA-BDAKNGLRSA-N -1 3 382.421 0.356 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575532885 949406780 /nfs/dbraw/zinc/40/67/80/949406780.db2.gz CDVUCOBBOFSHQC-SGTLLEGYSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575532885 949406794 /nfs/dbraw/zinc/40/67/94/949406794.db2.gz CDVUCOBBOFSHQC-SGTLLEGYSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575263898 949410199 /nfs/dbraw/zinc/41/01/99/949410199.db2.gz LEAYDHUAMICHLJ-YPMLDQLKSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575263898 949410220 /nfs/dbraw/zinc/41/02/20/949410220.db2.gz LEAYDHUAMICHLJ-YPMLDQLKSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575263881 949412749 /nfs/dbraw/zinc/41/27/49/949412749.db2.gz KSWRAXFEUIEJAG-RISCZKNCSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575263881 949412763 /nfs/dbraw/zinc/41/27/63/949412763.db2.gz KSWRAXFEUIEJAG-RISCZKNCSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573802553 949421267 /nfs/dbraw/zinc/42/12/67/949421267.db2.gz IGBPSUILQCCZLU-PHIMTYICSA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573802553 949421281 /nfs/dbraw/zinc/42/12/81/949421281.db2.gz IGBPSUILQCCZLU-PHIMTYICSA-N -1 3 390.423 0.622 20 0 GCADHM CC1(C(=O)N2CCC(CO)(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCC1 ZINC001575534225 949424350 /nfs/dbraw/zinc/42/43/50/949424350.db2.gz LFKOWZNNTMMGMP-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CCC(CO)(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCC1 ZINC001575534225 949424373 /nfs/dbraw/zinc/42/43/73/949424373.db2.gz LFKOWZNNTMMGMP-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573802840 949426114 /nfs/dbraw/zinc/42/61/14/949426114.db2.gz LBAJPQBLNAJYTL-UHFFFAOYSA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573802840 949426127 /nfs/dbraw/zinc/42/61/27/949426127.db2.gz LBAJPQBLNAJYTL-UHFFFAOYSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574705513 949427998 /nfs/dbraw/zinc/42/79/98/949427998.db2.gz UFWYZEAHAYWPRS-GXSJLCMTSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574705513 949428012 /nfs/dbraw/zinc/42/80/12/949428012.db2.gz UFWYZEAHAYWPRS-GXSJLCMTSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574705516 949429079 /nfs/dbraw/zinc/42/90/79/949429079.db2.gz UFWYZEAHAYWPRS-ONGXEEELSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574705516 949429092 /nfs/dbraw/zinc/42/90/92/949429092.db2.gz UFWYZEAHAYWPRS-ONGXEEELSA-N -1 3 376.396 0.138 20 0 GCADHM CC1(C(=O)N2CCC(N(CCO)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CC1 ZINC001575534601 949431698 /nfs/dbraw/zinc/43/16/98/949431698.db2.gz PAYUUNDXAXEDJO-UHFFFAOYSA-N -1 3 387.444 0.420 20 0 GCADHM CC1(C(=O)N2CCC(N(CCO)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CC1 ZINC001575534601 949431713 /nfs/dbraw/zinc/43/17/13/949431713.db2.gz PAYUUNDXAXEDJO-UHFFFAOYSA-N -1 3 387.444 0.420 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575534575 949432279 /nfs/dbraw/zinc/43/22/79/949432279.db2.gz OFLCLQLLJWCVPP-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575534575 949432291 /nfs/dbraw/zinc/43/22/91/949432291.db2.gz OFLCLQLLJWCVPP-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@H]1[C@H](CO)CCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC001575867395 949432247 /nfs/dbraw/zinc/43/22/47/949432247.db2.gz JMZWSMBETVTGDF-STQMWFEESA-N -1 3 382.428 0.694 20 0 GCADHM C[C@](CNC(=O)Cc1cnoc1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574946587 949434365 /nfs/dbraw/zinc/43/43/65/949434365.db2.gz WALLCBKLZCIGQD-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)Cc1cnoc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574946587 949434380 /nfs/dbraw/zinc/43/43/80/949434380.db2.gz WALLCBKLZCIGQD-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575264808 949435574 /nfs/dbraw/zinc/43/55/74/949435574.db2.gz QTDNTWXMTBTVKH-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCOCC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575264808 949435589 /nfs/dbraw/zinc/43/55/89/949435589.db2.gz QTDNTWXMTBTVKH-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574946289 949435766 /nfs/dbraw/zinc/43/57/66/949435766.db2.gz UOAZHDWMOPFLIK-ZCFIWIBFSA-N -1 3 382.841 0.278 20 0 GCADHM C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574946289 949435784 /nfs/dbraw/zinc/43/57/84/949435784.db2.gz UOAZHDWMOPFLIK-ZCFIWIBFSA-N -1 3 382.841 0.278 20 0 GCADHM C[C@H](CNC(=O)Cc1ncccc1F)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574946652 949438632 /nfs/dbraw/zinc/43/86/32/949438632.db2.gz XCOHWRDHCTVTHX-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CNC(=O)Cc1ncccc1F)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574946652 949438642 /nfs/dbraw/zinc/43/86/42/949438642.db2.gz XCOHWRDHCTVTHX-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574947083 949441594 /nfs/dbraw/zinc/44/15/94/949441594.db2.gz ZCFVOKHAJBGOSC-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574947083 949441613 /nfs/dbraw/zinc/44/16/13/949441613.db2.gz ZCFVOKHAJBGOSC-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@H](CNC(=O)Cc1cnn(C)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574947123 949441716 /nfs/dbraw/zinc/44/17/16/949441716.db2.gz ZNFVEMFRYUGIBV-VIFPVBQESA-N -1 3 375.824 0.808 20 0 GCADHM C[C@@H](CNC(=O)Cc1cnn(C)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574947123 949441728 /nfs/dbraw/zinc/44/17/28/949441728.db2.gz ZNFVEMFRYUGIBV-VIFPVBQESA-N -1 3 375.824 0.808 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CCNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575535212 949441811 /nfs/dbraw/zinc/44/18/11/949441811.db2.gz UCFQIGMFGRCYQD-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CCNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575535212 949441826 /nfs/dbraw/zinc/44/18/26/949441826.db2.gz UCFQIGMFGRCYQD-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575265073 949441899 /nfs/dbraw/zinc/44/18/99/949441899.db2.gz SFORQELUUBSCCO-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575265073 949441916 /nfs/dbraw/zinc/44/19/16/949441916.db2.gz SFORQELUUBSCCO-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)Cc1cnn(C)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574947121 949443276 /nfs/dbraw/zinc/44/32/76/949443276.db2.gz ZNFVEMFRYUGIBV-SECBINFHSA-N -1 3 375.824 0.808 20 0 GCADHM C[C@H](CNC(=O)Cc1cnn(C)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574947121 949443287 /nfs/dbraw/zinc/44/32/87/949443287.db2.gz ZNFVEMFRYUGIBV-SECBINFHSA-N -1 3 375.824 0.808 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574705906 949444702 /nfs/dbraw/zinc/44/47/02/949444702.db2.gz KLEACFTTXSONTK-VXGBXAGGSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574705906 949444714 /nfs/dbraw/zinc/44/47/14/949444714.db2.gz KLEACFTTXSONTK-VXGBXAGGSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575265289 949448393 /nfs/dbraw/zinc/44/83/93/949448393.db2.gz TWUGMOSSRPQXOB-QWRGUYRKSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575265289 949448408 /nfs/dbraw/zinc/44/84/08/949448408.db2.gz TWUGMOSSRPQXOB-QWRGUYRKSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)C(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573803682 949449188 /nfs/dbraw/zinc/44/91/88/949449188.db2.gz PZODCJWGPWGIKZ-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573803682 949449203 /nfs/dbraw/zinc/44/92/03/949449203.db2.gz PZODCJWGPWGIKZ-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574468006 949451891 /nfs/dbraw/zinc/45/18/91/949451891.db2.gz CVYONNZAYYWPFH-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574468006 949451908 /nfs/dbraw/zinc/45/19/08/949451908.db2.gz CVYONNZAYYWPFH-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575265604 949454634 /nfs/dbraw/zinc/45/46/34/949454634.db2.gz VMYCGDFEPJOABM-LBPRGKRZSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575265604 949454649 /nfs/dbraw/zinc/45/46/49/949454649.db2.gz VMYCGDFEPJOABM-LBPRGKRZSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574468061 949456644 /nfs/dbraw/zinc/45/66/44/949456644.db2.gz GRXRYKCHMBXHTN-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574468061 949456659 /nfs/dbraw/zinc/45/66/59/949456659.db2.gz GRXRYKCHMBXHTN-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573803921 949458043 /nfs/dbraw/zinc/45/80/43/949458043.db2.gz XNNREHAQHAXKPN-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573803921 949458059 /nfs/dbraw/zinc/45/80/59/949458059.db2.gz XNNREHAQHAXKPN-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H](CNC(=O)Cn1ccccc1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574948449 949461898 /nfs/dbraw/zinc/46/18/98/949461898.db2.gz JBHNQDZJFPNMPD-LLVKDONJSA-N -1 3 386.391 0.204 20 0 GCADHM C[C@H](CNC(=O)Cn1ccccc1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574948449 949461903 /nfs/dbraw/zinc/46/19/03/949461903.db2.gz JBHNQDZJFPNMPD-LLVKDONJSA-N -1 3 386.391 0.204 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573804080 949462087 /nfs/dbraw/zinc/46/20/87/949462087.db2.gz SCKWNJKNZKJVOT-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573804080 949462097 /nfs/dbraw/zinc/46/20/97/949462097.db2.gz SCKWNJKNZKJVOT-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ncccc1-c1nnn[n-]1 ZINC001574948417 949462174 /nfs/dbraw/zinc/46/21/74/949462174.db2.gz ISVDKKNBIJDXHI-SNVBAGLBSA-N -1 3 375.824 0.976 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ncccc1-c1nn[n-]n1 ZINC001574948417 949462192 /nfs/dbraw/zinc/46/21/92/949462192.db2.gz ISVDKKNBIJDXHI-SNVBAGLBSA-N -1 3 375.824 0.976 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575536260 949464173 /nfs/dbraw/zinc/46/41/73/949464173.db2.gz GIYVYYMRSMGRMJ-VOJFVSQTSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575536260 949464189 /nfs/dbraw/zinc/46/41/89/949464189.db2.gz GIYVYYMRSMGRMJ-VOJFVSQTSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574707228 949466503 /nfs/dbraw/zinc/46/65/03/949466503.db2.gz ODKMKXQLRFHOHO-WCQYABFASA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574707228 949466518 /nfs/dbraw/zinc/46/65/18/949466518.db2.gz ODKMKXQLRFHOHO-WCQYABFASA-N -1 3 387.448 0.311 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)O1 ZINC001573804369 949467176 /nfs/dbraw/zinc/46/71/76/949467176.db2.gz VWOUXDNMITXBRM-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)O1 ZINC001573804369 949467189 /nfs/dbraw/zinc/46/71/89/949467189.db2.gz VWOUXDNMITXBRM-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@](CNC(=O)Cn1ccnc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574948523 949467261 /nfs/dbraw/zinc/46/72/61/949467261.db2.gz KVZADIDSDALUSC-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@](CNC(=O)Cn1ccnc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574948523 949467273 /nfs/dbraw/zinc/46/72/73/949467273.db2.gz KVZADIDSDALUSC-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575536379 949468444 /nfs/dbraw/zinc/46/84/44/949468444.db2.gz HZGQZEJVEQSBNT-ADLMAVQZSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575536379 949468463 /nfs/dbraw/zinc/46/84/63/949468463.db2.gz HZGQZEJVEQSBNT-ADLMAVQZSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575266270 949471472 /nfs/dbraw/zinc/47/14/72/949471472.db2.gz CJIZQBDNHQPCRO-NEPJUHHUSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575266270 949471488 /nfs/dbraw/zinc/47/14/88/949471488.db2.gz CJIZQBDNHQPCRO-NEPJUHHUSA-N -1 3 387.444 0.467 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)c1 ZINC001574469165 949471965 /nfs/dbraw/zinc/47/19/65/949471965.db2.gz YDCNIPNBRWKBCS-OCCSQVGLSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)c1 ZINC001574469165 949471978 /nfs/dbraw/zinc/47/19/78/949471978.db2.gz YDCNIPNBRWKBCS-OCCSQVGLSA-N -1 3 383.416 0.019 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576157176 949474381 /nfs/dbraw/zinc/47/43/81/949474381.db2.gz YXNFJASMGBSJTH-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576157176 949474386 /nfs/dbraw/zinc/47/43/86/949474386.db2.gz YXNFJASMGBSJTH-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574707811 949474438 /nfs/dbraw/zinc/47/44/38/949474438.db2.gz QPDISFHIDMZZCW-MNOVXSKESA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574707811 949474446 /nfs/dbraw/zinc/47/44/46/949474446.db2.gz QPDISFHIDMZZCW-MNOVXSKESA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574707810 949474477 /nfs/dbraw/zinc/47/44/77/949474477.db2.gz QPDISFHIDMZZCW-GHMZBOCLSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574707810 949474487 /nfs/dbraw/zinc/47/44/87/949474487.db2.gz QPDISFHIDMZZCW-GHMZBOCLSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576157239 949476986 /nfs/dbraw/zinc/47/69/86/949476986.db2.gz ZKNXMINHQDGARU-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576157239 949476997 /nfs/dbraw/zinc/47/69/97/949476997.db2.gz ZKNXMINHQDGARU-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573806141 949481028 /nfs/dbraw/zinc/48/10/28/949481028.db2.gz HBFARJBFQQJQIS-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573806141 949481030 /nfs/dbraw/zinc/48/10/30/949481030.db2.gz HBFARJBFQQJQIS-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574469464 949481536 /nfs/dbraw/zinc/48/15/36/949481536.db2.gz DUOCVINRKWUFKG-LLVKDONJSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574469464 949481545 /nfs/dbraw/zinc/48/15/45/949481545.db2.gz DUOCVINRKWUFKG-LLVKDONJSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1nccc1C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574469820 949486253 /nfs/dbraw/zinc/48/62/53/949486253.db2.gz HNDIWWABKDURFB-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1nccc1C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574469820 949486262 /nfs/dbraw/zinc/48/62/62/949486262.db2.gz HNDIWWABKDURFB-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)Cn1ccccc1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574949286 949486706 /nfs/dbraw/zinc/48/67/06/949486706.db2.gz SGHPMJKXELTYPP-LLVKDONJSA-N -1 3 386.391 0.427 20 0 GCADHM C[C@H](CNC(=O)Cn1ccccc1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574949286 949486715 /nfs/dbraw/zinc/48/67/15/949486715.db2.gz SGHPMJKXELTYPP-LLVKDONJSA-N -1 3 386.391 0.427 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574119186 949497254 /nfs/dbraw/zinc/49/72/54/949497254.db2.gz IVPGYAGHYWCVGF-NSHDSACASA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574119186 949497269 /nfs/dbraw/zinc/49/72/69/949497269.db2.gz IVPGYAGHYWCVGF-NSHDSACASA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)COCC1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573807928 949498183 /nfs/dbraw/zinc/49/81/83/949498183.db2.gz AEUOSKXNAMNNQU-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)COCC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573807928 949498196 /nfs/dbraw/zinc/49/81/96/949498196.db2.gz AEUOSKXNAMNNQU-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573806804 949499084 /nfs/dbraw/zinc/49/90/84/949499084.db2.gz WTAMEISFJMWZHI-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573806804 949499094 /nfs/dbraw/zinc/49/90/94/949499094.db2.gz WTAMEISFJMWZHI-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574708860 949500032 /nfs/dbraw/zinc/50/00/32/949500032.db2.gz XWVZLDOLJWMESY-NEPJUHHUSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574708860 949500052 /nfs/dbraw/zinc/50/00/52/949500052.db2.gz XWVZLDOLJWMESY-NEPJUHHUSA-N -1 3 387.448 0.311 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1ccnc1 ZINC001573808003 949501590 /nfs/dbraw/zinc/50/15/90/949501590.db2.gz CANCGHAVFBMQHV-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573807935 949502314 /nfs/dbraw/zinc/50/23/14/949502314.db2.gz AKBJLQAFVLYYSG-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573807935 949502329 /nfs/dbraw/zinc/50/23/29/949502329.db2.gz AKBJLQAFVLYYSG-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575537789 949503651 /nfs/dbraw/zinc/50/36/51/949503651.db2.gz AYOFDDUZQMAYEM-KZULUSFZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575537789 949503667 /nfs/dbraw/zinc/50/36/67/949503667.db2.gz AYOFDDUZQMAYEM-KZULUSFZSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ncc[nH]1 ZINC001573808019 949507456 /nfs/dbraw/zinc/50/74/56/949507456.db2.gz CKVOCLIEAGCOAK-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ncc[nH]1 ZINC001573808019 949507471 /nfs/dbraw/zinc/50/74/71/949507471.db2.gz CKVOCLIEAGCOAK-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001573808022 949508642 /nfs/dbraw/zinc/50/86/42/949508642.db2.gz CLSKOZXRIWAQBI-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001573808022 949508660 /nfs/dbraw/zinc/50/86/60/949508660.db2.gz CLSKOZXRIWAQBI-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808175 949508811 /nfs/dbraw/zinc/50/88/11/949508811.db2.gz DFKNGQKAVIKCCG-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808175 949508826 /nfs/dbraw/zinc/50/88/26/949508826.db2.gz DFKNGQKAVIKCCG-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC1(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001575537918 949509184 /nfs/dbraw/zinc/50/91/84/949509184.db2.gz BSGGFARCHUFQCY-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001575537918 949509199 /nfs/dbraw/zinc/50/91/99/949509199.db2.gz BSGGFARCHUFQCY-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC1CC1 ZINC001573808214 949513482 /nfs/dbraw/zinc/51/34/82/949513482.db2.gz FABXZYFVEOIMFO-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC1CC1 ZINC001573808214 949513501 /nfs/dbraw/zinc/51/35/01/949513501.db2.gz FABXZYFVEOIMFO-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1=COCCO1 ZINC001573808465 949513926 /nfs/dbraw/zinc/51/39/26/949513926.db2.gz GFQPDTSUXDQTCK-CYBMUJFWSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1=COCCO1 ZINC001573808465 949513938 /nfs/dbraw/zinc/51/39/38/949513938.db2.gz GFQPDTSUXDQTCK-CYBMUJFWSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1n[nH]cc1F ZINC001573808365 949514932 /nfs/dbraw/zinc/51/49/32/949514932.db2.gz FGLCKVXEJVWDKS-NSHDSACASA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCCOC1 ZINC001573808408 949515196 /nfs/dbraw/zinc/51/51/96/949515196.db2.gz FXSHHZCPUGQWNF-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCOC1 ZINC001573808408 949515209 /nfs/dbraw/zinc/51/52/09/949515209.db2.gz FXSHHZCPUGQWNF-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001574949870 949516063 /nfs/dbraw/zinc/51/60/63/949516063.db2.gz FSLZXPSMUMZOFO-SECBINFHSA-N -1 3 392.420 0.693 20 0 GCADHM C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001574949870 949516083 /nfs/dbraw/zinc/51/60/83/949516083.db2.gz FSLZXPSMUMZOFO-SECBINFHSA-N -1 3 392.420 0.693 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808532 949517079 /nfs/dbraw/zinc/51/70/79/949517079.db2.gz GZKAGZFPQFWWAB-GXFFZTMASA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808532 949517091 /nfs/dbraw/zinc/51/70/91/949517091.db2.gz GZKAGZFPQFWWAB-GXFFZTMASA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](NC(=O)C[C@@H]1CCCCO1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575268326 949518684 /nfs/dbraw/zinc/51/86/84/949518684.db2.gz NEUNLXKYJHHZKL-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C[C@@H]1CCCCO1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575268326 949518703 /nfs/dbraw/zinc/51/87/03/949518703.db2.gz NEUNLXKYJHHZKL-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1csnn1 ZINC001573808525 949519024 /nfs/dbraw/zinc/51/90/24/949519024.db2.gz GWVIFMQFQDGSPH-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1csnn1 ZINC001573808525 949519032 /nfs/dbraw/zinc/51/90/32/949519032.db2.gz GWVIFMQFQDGSPH-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574949905 949520258 /nfs/dbraw/zinc/52/02/58/949520258.db2.gz GRQYMPNLSUMAGX-NSHDSACASA-N -1 3 382.432 0.349 20 0 GCADHM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574949905 949520274 /nfs/dbraw/zinc/52/02/74/949520274.db2.gz GRQYMPNLSUMAGX-NSHDSACASA-N -1 3 382.432 0.349 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574711135 949525302 /nfs/dbraw/zinc/52/53/02/949525302.db2.gz DKDHWOIDQCXQEP-GMSGAONNSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574711135 949525313 /nfs/dbraw/zinc/52/53/13/949525313.db2.gz DKDHWOIDQCXQEP-GMSGAONNSA-N -1 3 380.796 0.282 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808664 949525381 /nfs/dbraw/zinc/52/53/81/949525381.db2.gz HVDVDXRFXPGGFZ-STQMWFEESA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808664 949525393 /nfs/dbraw/zinc/52/53/93/949525393.db2.gz HVDVDXRFXPGGFZ-STQMWFEESA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574471120 949526412 /nfs/dbraw/zinc/52/64/12/949526412.db2.gz ZWIQCJNJRHADJA-GFCCVEGCSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574471120 949526434 /nfs/dbraw/zinc/52/64/34/949526434.db2.gz ZWIQCJNJRHADJA-GFCCVEGCSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809006 949526743 /nfs/dbraw/zinc/52/67/43/949526743.db2.gz KQNAEMUEKZBITL-LLVKDONJSA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cn1ccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808981 949529044 /nfs/dbraw/zinc/52/90/44/949529044.db2.gz KEDSFMULPCFSFV-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cn1ccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808981 949529063 /nfs/dbraw/zinc/52/90/63/949529063.db2.gz KEDSFMULPCFSFV-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809049 949529626 /nfs/dbraw/zinc/52/96/26/949529626.db2.gz LWMWKEXWZIKLDO-LLVKDONJSA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809049 949529645 /nfs/dbraw/zinc/52/96/45/949529645.db2.gz LWMWKEXWZIKLDO-LLVKDONJSA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574471322 949531289 /nfs/dbraw/zinc/53/12/89/949531289.db2.gz MEYAJHAZJDGSHJ-GFCCVEGCSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574471322 949531307 /nfs/dbraw/zinc/53/13/07/949531307.db2.gz MEYAJHAZJDGSHJ-GFCCVEGCSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574471403 949531350 /nfs/dbraw/zinc/53/13/50/949531350.db2.gz MSIWEUMHXULRJN-BDAKNGLRSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574471403 949531357 /nfs/dbraw/zinc/53/13/57/949531357.db2.gz MSIWEUMHXULRJN-BDAKNGLRSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576163429 949535061 /nfs/dbraw/zinc/53/50/61/949535061.db2.gz BERYHNOQYKHQIH-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576163429 949535075 /nfs/dbraw/zinc/53/50/75/949535075.db2.gz BERYHNOQYKHQIH-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576163580 949535988 /nfs/dbraw/zinc/53/59/88/949535988.db2.gz CDFQRBQTVNCODS-GXTWGEPZSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576163580 949536004 /nfs/dbraw/zinc/53/60/04/949536004.db2.gz CDFQRBQTVNCODS-GXTWGEPZSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576163530 949536961 /nfs/dbraw/zinc/53/69/61/949536961.db2.gz BPNMRGZOIWTWEG-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576163530 949536978 /nfs/dbraw/zinc/53/69/78/949536978.db2.gz BPNMRGZOIWTWEG-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575872166 949537415 /nfs/dbraw/zinc/53/74/15/949537415.db2.gz GZLXHRQDGMUXLV-SCZZXKLOSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575872166 949537429 /nfs/dbraw/zinc/53/74/29/949537429.db2.gz GZLXHRQDGMUXLV-SCZZXKLOSA-N -1 3 379.371 0.959 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1csnn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809356 949537658 /nfs/dbraw/zinc/53/76/58/949537658.db2.gz OPYGWCHZKXLFAP-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1csnn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809356 949537680 /nfs/dbraw/zinc/53/76/80/949537680.db2.gz OPYGWCHZKXLFAP-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809247 949538213 /nfs/dbraw/zinc/53/82/13/949538213.db2.gz NVMHSYYTCSJRBS-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809247 949538232 /nfs/dbraw/zinc/53/82/32/949538232.db2.gz NVMHSYYTCSJRBS-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574123103 949538948 /nfs/dbraw/zinc/53/89/48/949538948.db2.gz GUTUBASQPKEKKF-BETUJISGSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574123103 949538969 /nfs/dbraw/zinc/53/89/69/949538969.db2.gz GUTUBASQPKEKKF-BETUJISGSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001574950507 949540372 /nfs/dbraw/zinc/54/03/72/949540372.db2.gz QFBQIWNOJMLBJP-LLVKDONJSA-N -1 3 385.436 0.236 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001574950507 949540387 /nfs/dbraw/zinc/54/03/87/949540387.db2.gz QFBQIWNOJMLBJP-LLVKDONJSA-N -1 3 385.436 0.236 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576163616 949541292 /nfs/dbraw/zinc/54/12/92/949541292.db2.gz CJNHQXMTABRTLA-SWLSCSKDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576163616 949541303 /nfs/dbraw/zinc/54/13/03/949541303.db2.gz CJNHQXMTABRTLA-SWLSCSKDSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574471912 949541582 /nfs/dbraw/zinc/54/15/82/949541582.db2.gz POMQSUVCTFIEQA-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574471912 949541603 /nfs/dbraw/zinc/54/16/03/949541603.db2.gz POMQSUVCTFIEQA-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574711484 949541785 /nfs/dbraw/zinc/54/17/85/949541785.db2.gz HRZIAYAGTOXCRP-VHSXEESVSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574711484 949541804 /nfs/dbraw/zinc/54/18/04/949541804.db2.gz HRZIAYAGTOXCRP-VHSXEESVSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574711485 949542126 /nfs/dbraw/zinc/54/21/26/949542126.db2.gz HRZIAYAGTOXCRP-ZJUUUORDSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574711485 949542139 /nfs/dbraw/zinc/54/21/39/949542139.db2.gz HRZIAYAGTOXCRP-ZJUUUORDSA-N -1 3 392.851 0.700 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573809429 949542405 /nfs/dbraw/zinc/54/24/05/949542405.db2.gz PRUJZVDCEGLHCJ-GIFSMMMISA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573809429 949542427 /nfs/dbraw/zinc/54/24/27/949542427.db2.gz PRUJZVDCEGLHCJ-GIFSMMMISA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1=COCCO1 ZINC001573809514 949548180 /nfs/dbraw/zinc/54/81/80/949548180.db2.gz QYUPDYZBOQGJLJ-CYBMUJFWSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1=COCCO1 ZINC001573809514 949548195 /nfs/dbraw/zinc/54/81/95/949548195.db2.gz QYUPDYZBOQGJLJ-CYBMUJFWSA-N -1 3 389.416 0.344 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576164214 949548365 /nfs/dbraw/zinc/54/83/65/949548365.db2.gz FBLJXKHBJQFRIQ-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576164223 949549907 /nfs/dbraw/zinc/54/99/07/949549907.db2.gz FILMEZVXHBBXPF-CYBMUJFWSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576164223 949549930 /nfs/dbraw/zinc/54/99/30/949549930.db2.gz FILMEZVXHBBXPF-CYBMUJFWSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711706 949553012 /nfs/dbraw/zinc/55/30/12/949553012.db2.gz KQXYYDFQBDXEMJ-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711706 949553027 /nfs/dbraw/zinc/55/30/27/949553027.db2.gz KQXYYDFQBDXEMJ-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1n[nH]cc1F ZINC001573809674 949553292 /nfs/dbraw/zinc/55/32/92/949553292.db2.gz SPJPFYBPCHKLHM-LLVKDONJSA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574472415 949553200 /nfs/dbraw/zinc/55/32/00/949553200.db2.gz UNYGKIRJXUFMCV-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 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CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001574125470 949583846 /nfs/dbraw/zinc/58/38/46/949583846.db2.gz PWJYYFUCURMTPD-JSGCOSHPSA-N -1 3 386.460 0.812 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574712719 949586382 /nfs/dbraw/zinc/58/63/82/949586382.db2.gz TZXWILZLGJETIK-MNOVXSKESA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574712719 949586403 /nfs/dbraw/zinc/58/64/03/949586403.db2.gz TZXWILZLGJETIK-MNOVXSKESA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574476053 949586597 /nfs/dbraw/zinc/58/65/97/949586597.db2.gz FJUSSUCLJHRYDN-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574476053 949586615 /nfs/dbraw/zinc/58/66/15/949586615.db2.gz FJUSSUCLJHRYDN-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](NC(=O)CCCn1cccn1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575270348 949587176 /nfs/dbraw/zinc/58/71/76/949587176.db2.gz CHYASUOVBHHWEK-NEPJUHHUSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)CCCn1cccn1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575270348 949587189 /nfs/dbraw/zinc/58/71/89/949587189.db2.gz CHYASUOVBHHWEK-NEPJUHHUSA-N -1 3 385.432 0.495 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574125250 949587380 /nfs/dbraw/zinc/58/73/80/949587380.db2.gz PBZGYPSZJHPOTN-UONOGXRCSA-N -1 3 386.460 0.446 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574125250 949587400 /nfs/dbraw/zinc/58/74/00/949587400.db2.gz PBZGYPSZJHPOTN-UONOGXRCSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](NC(=O)CCCn1cccn1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575270360 949587798 /nfs/dbraw/zinc/58/77/98/949587798.db2.gz CHYASUOVBHHWEK-VXGBXAGGSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)CCCn1cccn1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575270360 949587811 /nfs/dbraw/zinc/58/78/11/949587811.db2.gz CHYASUOVBHHWEK-VXGBXAGGSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712758 949588453 /nfs/dbraw/zinc/58/84/53/949588453.db2.gz UGGNAXNZGFFQNX-GHMZBOCLSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@H]1[C@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575873699 949588880 /nfs/dbraw/zinc/58/88/80/949588880.db2.gz BVORUZQDOCPFCZ-WDEREUQCSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H]1[C@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575873699 949588892 /nfs/dbraw/zinc/58/88/92/949588892.db2.gz BVORUZQDOCPFCZ-WDEREUQCSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)CCC(=O)NC1 ZINC001575544529 949589000 /nfs/dbraw/zinc/58/90/00/949589000.db2.gz FIJRQVRRTPYOBV-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)CCC(=O)NC1 ZINC001575544529 949589015 /nfs/dbraw/zinc/58/90/15/949589015.db2.gz FIJRQVRRTPYOBV-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575873772 949590410 /nfs/dbraw/zinc/59/04/10/949590410.db2.gz QBAUKNZVUWHUSC-GXTWGEPZSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575873772 949590430 /nfs/dbraw/zinc/59/04/30/949590430.db2.gz QBAUKNZVUWHUSC-GXTWGEPZSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712742 949590426 /nfs/dbraw/zinc/59/04/26/949590426.db2.gz UCIJIAGQIQQGPD-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001574476218 949593118 /nfs/dbraw/zinc/59/31/18/949593118.db2.gz BTUURSHGPLDNMI-ZDUSSCGKSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001574476218 949593133 /nfs/dbraw/zinc/59/31/33/949593133.db2.gz BTUURSHGPLDNMI-ZDUSSCGKSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574956828 949593136 /nfs/dbraw/zinc/59/31/36/949593136.db2.gz NXQVSGKSAGBWDM-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574956828 949593144 /nfs/dbraw/zinc/59/31/44/949593144.db2.gz NXQVSGKSAGBWDM-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CCC(=O)NC1 ZINC001575544895 949593521 /nfs/dbraw/zinc/59/35/21/949593521.db2.gz HBUDNVQVXFBBEI-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCC(=O)NC1 ZINC001575544895 949593537 /nfs/dbraw/zinc/59/35/37/949593537.db2.gz HBUDNVQVXFBBEI-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001573811271 949596138 /nfs/dbraw/zinc/59/61/38/949596138.db2.gz IUWPROFEHHEBPK-STQMWFEESA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001573811271 949596155 /nfs/dbraw/zinc/59/61/55/949596155.db2.gz IUWPROFEHHEBPK-STQMWFEESA-N -1 3 375.433 0.620 20 0 GCADHM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@H](C)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576167129 949597656 /nfs/dbraw/zinc/59/76/56/949597656.db2.gz OVVKFIGBBOYZNX-STQMWFEESA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@H](C)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576167129 949597670 /nfs/dbraw/zinc/59/76/70/949597670.db2.gz OVVKFIGBBOYZNX-STQMWFEESA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576167165 949598774 /nfs/dbraw/zinc/59/87/74/949598774.db2.gz PGLGQORFDIHTEF-CHWSQXEVSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576167165 949598793 /nfs/dbraw/zinc/59/87/93/949598793.db2.gz PGLGQORFDIHTEF-CHWSQXEVSA-N -1 3 386.460 0.400 20 0 GCADHM CC1(C(=O)N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOCC1 ZINC001575545477 949599996 /nfs/dbraw/zinc/59/99/96/949599996.db2.gz KZRCYAHAQZYJBL-UHFFFAOYSA-N -1 3 387.444 0.686 20 0 GCADHM CC1(C(=O)N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOCC1 ZINC001575545477 949600015 /nfs/dbraw/zinc/60/00/15/949600015.db2.gz KZRCYAHAQZYJBL-UHFFFAOYSA-N -1 3 387.444 0.686 20 0 GCADHM CC(C)(C)[C@H](CNCc1csnn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573811506 949600342 /nfs/dbraw/zinc/60/03/42/949600342.db2.gz LAKFGXSMAKEDJH-LBPRGKRZSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)(C)[C@H](CNCc1csnn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573811506 949600357 /nfs/dbraw/zinc/60/03/57/949600357.db2.gz LAKFGXSMAKEDJH-LBPRGKRZSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576167030 949600978 /nfs/dbraw/zinc/60/09/78/949600978.db2.gz OJYJTGJMVGNYKS-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576167030 949600991 /nfs/dbraw/zinc/60/09/91/949600991.db2.gz OJYJTGJMVGNYKS-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574476497 949602816 /nfs/dbraw/zinc/60/28/16/949602816.db2.gz DETKQESHHAMUOI-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574476497 949602822 /nfs/dbraw/zinc/60/28/22/949602822.db2.gz DETKQESHHAMUOI-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574126904 949605139 /nfs/dbraw/zinc/60/51/39/949605139.db2.gz AMOFWTADAYXHTO-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574126904 949605154 /nfs/dbraw/zinc/60/51/54/949605154.db2.gz AMOFWTADAYXHTO-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CNC(=O)C1CC1 ZINC001573811605 949605756 /nfs/dbraw/zinc/60/57/56/949605756.db2.gz MJQJKYNCLCVOOZ-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CNC(=O)C1CC1 ZINC001573811605 949605776 /nfs/dbraw/zinc/60/57/76/949605776.db2.gz MJQJKYNCLCVOOZ-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574126934 949606413 /nfs/dbraw/zinc/60/64/13/949606413.db2.gz BKGVEPDKIGEPEN-CYBMUJFWSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574126934 949606425 /nfs/dbraw/zinc/60/64/25/949606425.db2.gz BKGVEPDKIGEPEN-CYBMUJFWSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574476581 949606976 /nfs/dbraw/zinc/60/69/76/949606976.db2.gz IHIGHBGJSDLLTL-JTQLQIEISA-N -1 3 390.423 0.095 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574476581 949606986 /nfs/dbraw/zinc/60/69/86/949606986.db2.gz IHIGHBGJSDLLTL-JTQLQIEISA-N -1 3 390.423 0.095 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CC(C)(C)CO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574713686 949607609 /nfs/dbraw/zinc/60/76/09/949607609.db2.gz BEFHBULWFIQHOC-VXGBXAGGSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574957401 949607434 /nfs/dbraw/zinc/60/74/34/949607434.db2.gz XBSRWIYCWITBTC-QMHNFZFOSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574957401 949607448 /nfs/dbraw/zinc/60/74/48/949607448.db2.gz XBSRWIYCWITBTC-QMHNFZFOSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CC(C)(C)CO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574713686 949607627 /nfs/dbraw/zinc/60/76/27/949607627.db2.gz BEFHBULWFIQHOC-VXGBXAGGSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574476512 949608482 /nfs/dbraw/zinc/60/84/82/949608482.db2.gz DJIHFKQIBAVCLC-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574476512 949608495 /nfs/dbraw/zinc/60/84/95/949608495.db2.gz DJIHFKQIBAVCLC-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574957402 949610752 /nfs/dbraw/zinc/61/07/52/949610752.db2.gz XBSRWIYCWITBTC-RKRFWMIESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574957402 949610771 /nfs/dbraw/zinc/61/07/71/949610771.db2.gz XBSRWIYCWITBTC-RKRFWMIESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574476591 949612062 /nfs/dbraw/zinc/61/20/62/949612062.db2.gz IPRJCMXMKZIGHE-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574476591 949612075 /nfs/dbraw/zinc/61/20/75/949612075.db2.gz IPRJCMXMKZIGHE-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001574476716 949614751 /nfs/dbraw/zinc/61/47/51/949614751.db2.gz GOIKQMKYVLVIFR-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001574476716 949614766 /nfs/dbraw/zinc/61/47/66/949614766.db2.gz GOIKQMKYVLVIFR-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM CC1(C(=O)N2CCCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCC1 ZINC001575546881 949617062 /nfs/dbraw/zinc/61/70/62/949617062.db2.gz SRRGRYOZZNPILV-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCC1 ZINC001575546881 949617077 /nfs/dbraw/zinc/61/70/77/949617077.db2.gz SRRGRYOZZNPILV-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576167661 949618343 /nfs/dbraw/zinc/61/83/43/949618343.db2.gz DICYRGPMJJVZLQ-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576167661 949618357 /nfs/dbraw/zinc/61/83/57/949618357.db2.gz DICYRGPMJJVZLQ-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575546999 949618960 /nfs/dbraw/zinc/61/89/60/949618960.db2.gz VBWJCDIGGVQYED-KSSFIOAISA-N -1 3 387.444 0.718 20 0 GCADHM C[C@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575546999 949618973 /nfs/dbraw/zinc/61/89/73/949618973.db2.gz VBWJCDIGGVQYED-KSSFIOAISA-N -1 3 387.444 0.718 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576167680 949619636 /nfs/dbraw/zinc/61/96/36/949619636.db2.gz DQHIKGPCOFVTSW-WCQYABFASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576167680 949619647 /nfs/dbraw/zinc/61/96/47/949619647.db2.gz DQHIKGPCOFVTSW-WCQYABFASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574713913 949619900 /nfs/dbraw/zinc/61/99/00/949619900.db2.gz ZLFZOFIABIOOOQ-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574713913 949619907 /nfs/dbraw/zinc/61/99/07/949619907.db2.gz ZLFZOFIABIOOOQ-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575271407 949620729 /nfs/dbraw/zinc/62/07/29/949620729.db2.gz KAWAXYNPNMGTGC-JSGCOSHPSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575271407 949620743 /nfs/dbraw/zinc/62/07/43/949620743.db2.gz KAWAXYNPNMGTGC-JSGCOSHPSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574476866 949625689 /nfs/dbraw/zinc/62/56/89/949625689.db2.gz KWYZTVSPKBEWIA-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574476866 949625706 /nfs/dbraw/zinc/62/57/06/949625706.db2.gz KWYZTVSPKBEWIA-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575875249 949627205 /nfs/dbraw/zinc/62/72/05/949627205.db2.gz VQHPEAUNANPTRD-YPMHNXCESA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575875249 949627215 /nfs/dbraw/zinc/62/72/15/949627215.db2.gz VQHPEAUNANPTRD-YPMHNXCESA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574476921 949631107 /nfs/dbraw/zinc/63/11/07/949631107.db2.gz LXWSQOCYMOKSCX-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574476921 949631122 /nfs/dbraw/zinc/63/11/22/949631122.db2.gz LXWSQOCYMOKSCX-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM CC1(C(=O)N2CCN([C@@H]3CCN(c4ccc(-c5nnn[n-]5)cn4)C3)CC2)CC1 ZINC001575547634 949634827 /nfs/dbraw/zinc/63/48/27/949634827.db2.gz FOLBLAHQTIKMAJ-OAHLLOKOSA-N -1 3 382.472 0.785 20 0 GCADHM CC1(C(=O)N2CCN([C@@H]3CCN(c4ccc(-c5nn[n-]n5)cn4)C3)CC2)CC1 ZINC001575547634 949634836 /nfs/dbraw/zinc/63/48/36/949634836.db2.gz FOLBLAHQTIKMAJ-OAHLLOKOSA-N -1 3 382.472 0.785 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575876023 949636184 /nfs/dbraw/zinc/63/61/84/949636184.db2.gz IRRSDUHZNRSCON-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876023 949636199 /nfs/dbraw/zinc/63/61/99/949636199.db2.gz IRRSDUHZNRSCON-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715031 949637704 /nfs/dbraw/zinc/63/77/04/949637704.db2.gz AANOAWPPHLRTQV-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715031 949637720 /nfs/dbraw/zinc/63/77/20/949637720.db2.gz AANOAWPPHLRTQV-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576168447 949640106 /nfs/dbraw/zinc/64/01/06/949640106.db2.gz UNTQMTCSDIENEP-WFASDCNBSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576168447 949640116 /nfs/dbraw/zinc/64/01/16/949640116.db2.gz UNTQMTCSDIENEP-WFASDCNBSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876201 949642896 /nfs/dbraw/zinc/64/28/96/949642896.db2.gz JKCBETYPPSPWGQ-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001574477254 949648905 /nfs/dbraw/zinc/64/89/05/949648905.db2.gz MOHSUXCDABSMAC-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001574477254 949648923 /nfs/dbraw/zinc/64/89/23/949648923.db2.gz MOHSUXCDABSMAC-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575272724 949649583 /nfs/dbraw/zinc/64/95/83/949649583.db2.gz SBXKDRQLKZEGBN-JTQLQIEISA-N -1 3 390.423 0.001 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574958068 949650510 /nfs/dbraw/zinc/65/05/10/949650510.db2.gz FJYGZZWOGGKOMS-RSXIPKFTSA-N -1 3 375.408 0.909 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574958068 949650520 /nfs/dbraw/zinc/65/05/20/949650520.db2.gz FJYGZZWOGGKOMS-RSXIPKFTSA-N -1 3 375.408 0.909 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958113 949651417 /nfs/dbraw/zinc/65/14/17/949651417.db2.gz GSLNMCGRWCNMJY-IJLUTSLNSA-N -1 3 382.432 0.358 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958113 949651433 /nfs/dbraw/zinc/65/14/33/949651433.db2.gz GSLNMCGRWCNMJY-IJLUTSLNSA-N -1 3 382.432 0.358 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876828 949653432 /nfs/dbraw/zinc/65/34/32/949653432.db2.gz KUOKMOMRMOSRLC-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876828 949653442 /nfs/dbraw/zinc/65/34/42/949653442.db2.gz KUOKMOMRMOSRLC-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001574477465 949660875 /nfs/dbraw/zinc/66/08/75/949660875.db2.gz OGKZASZQMBCHGH-RISCZKNCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001574477465 949660883 /nfs/dbraw/zinc/66/08/83/949660883.db2.gz OGKZASZQMBCHGH-RISCZKNCSA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575548158 949661433 /nfs/dbraw/zinc/66/14/33/949661433.db2.gz RXOPVMKIXPFZFU-ZDUSSCGKSA-N -1 3 387.444 0.718 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575548158 949661442 /nfs/dbraw/zinc/66/14/42/949661442.db2.gz RXOPVMKIXPFZFU-ZDUSSCGKSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CCCC2)[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576169108 949661570 /nfs/dbraw/zinc/66/15/70/949661570.db2.gz FEOLPZSGDBBEDT-KBPBESRZSA-N -1 3 385.476 0.213 20 0 GCADHM C[C@H](CC(=O)N(C)CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574477470 949661912 /nfs/dbraw/zinc/66/19/12/949661912.db2.gz RNEQHJGHTIRUQC-GFCCVEGCSA-N -1 3 385.432 0.621 20 0 GCADHM C[C@H](CC(=O)N(C)CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574477470 949661928 /nfs/dbraw/zinc/66/19/28/949661928.db2.gz RNEQHJGHTIRUQC-GFCCVEGCSA-N -1 3 385.432 0.621 20 0 GCADHM CC(C)CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574131620 949662227 /nfs/dbraw/zinc/66/22/27/949662227.db2.gz IINWIMXMNYLUPL-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574131620 949662243 /nfs/dbraw/zinc/66/22/43/949662243.db2.gz IINWIMXMNYLUPL-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575877332 949664131 /nfs/dbraw/zinc/66/41/31/949664131.db2.gz LNZXEOWBLSFNOH-WCQYABFASA-N -1 3 382.432 0.486 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575877332 949664151 /nfs/dbraw/zinc/66/41/51/949664151.db2.gz LNZXEOWBLSFNOH-WCQYABFASA-N -1 3 382.432 0.486 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574131647 949667139 /nfs/dbraw/zinc/66/71/39/949667139.db2.gz JCEZNPHLFOJOHX-JSGCOSHPSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574131647 949667153 /nfs/dbraw/zinc/66/71/53/949667153.db2.gz JCEZNPHLFOJOHX-JSGCOSHPSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)c1cnon1 ZINC001576169143 949667318 /nfs/dbraw/zinc/66/73/18/949667318.db2.gz FPDWOMSVSBAZQU-RNCFNFMXSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1cnon1 ZINC001576169143 949667330 /nfs/dbraw/zinc/66/73/30/949667330.db2.gz FPDWOMSVSBAZQU-RNCFNFMXSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169271 949670742 /nfs/dbraw/zinc/67/07/42/949670742.db2.gz GBVPKYMSNFDNID-ZYHUDNBSSA-N -1 3 383.420 0.057 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575548404 949673011 /nfs/dbraw/zinc/67/30/11/949673011.db2.gz ZTFAZSZESWXTAD-OMPKRAJASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575548404 949673019 /nfs/dbraw/zinc/67/30/19/949673019.db2.gz ZTFAZSZESWXTAD-OMPKRAJASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001574477779 949673107 /nfs/dbraw/zinc/67/31/07/949673107.db2.gz RLYRFIQUAKGODI-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001574477779 949673124 /nfs/dbraw/zinc/67/31/24/949673124.db2.gz RLYRFIQUAKGODI-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@@H]1CCNC1=O ZINC001573816187 949676192 /nfs/dbraw/zinc/67/61/92/949676192.db2.gz PMUNKUYEMCSHKX-SMDDNHRTSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@@H]1CCNC1=O ZINC001573816187 949676203 /nfs/dbraw/zinc/67/62/03/949676203.db2.gz PMUNKUYEMCSHKX-SMDDNHRTSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576169481 949679486 /nfs/dbraw/zinc/67/94/86/949679486.db2.gz YBZAYJPPWWIGMC-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576169481 949679506 /nfs/dbraw/zinc/67/95/06/949679506.db2.gz YBZAYJPPWWIGMC-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576169479 949680142 /nfs/dbraw/zinc/68/01/42/949680142.db2.gz YBZAYJPPWWIGMC-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576169479 949680158 /nfs/dbraw/zinc/68/01/58/949680158.db2.gz YBZAYJPPWWIGMC-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(N)=O ZINC001574477865 949685072 /nfs/dbraw/zinc/68/50/72/949685072.db2.gz SJVBIGKETJIBCL-QMMMGPOBSA-N -1 3 381.828 0.232 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(N)=O ZINC001574477865 949685090 /nfs/dbraw/zinc/68/50/90/949685090.db2.gz SJVBIGKETJIBCL-QMMMGPOBSA-N -1 3 381.828 0.232 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001574477969 949687420 /nfs/dbraw/zinc/68/74/20/949687420.db2.gz TYJQCJWBGCLUAT-AWEZNQCLSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001574477969 949687434 /nfs/dbraw/zinc/68/74/34/949687434.db2.gz TYJQCJWBGCLUAT-AWEZNQCLSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001574478005 949689333 /nfs/dbraw/zinc/68/93/33/949689333.db2.gz WRMXMPXJJLTTCM-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001574478005 949689351 /nfs/dbraw/zinc/68/93/51/949689351.db2.gz WRMXMPXJJLTTCM-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCNC(N)=O)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575879436 949690282 /nfs/dbraw/zinc/69/02/82/949690282.db2.gz QWUAYVAIBGFQTJ-ZYHUDNBSSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCNC(N)=O)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575879436 949690299 /nfs/dbraw/zinc/69/02/99/949690299.db2.gz QWUAYVAIBGFQTJ-ZYHUDNBSSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574958751 949690942 /nfs/dbraw/zinc/69/09/42/949690942.db2.gz WCHXKDOQQZVJTC-CENBSLRLSA-N -1 3 390.419 0.974 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574958751 949690963 /nfs/dbraw/zinc/69/09/63/949690963.db2.gz WCHXKDOQQZVJTC-CENBSLRLSA-N -1 3 390.419 0.974 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716441 949692903 /nfs/dbraw/zinc/69/29/03/949692903.db2.gz ONZFRFJEJUORLV-NWDGAFQWSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716441 949692918 /nfs/dbraw/zinc/69/29/18/949692918.db2.gz ONZFRFJEJUORLV-NWDGAFQWSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574478091 949694895 /nfs/dbraw/zinc/69/48/95/949694895.db2.gz XPECKRCPRZDSMH-OCCSQVGLSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574478091 949694916 /nfs/dbraw/zinc/69/49/16/949694916.db2.gz XPECKRCPRZDSMH-OCCSQVGLSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716592 949697375 /nfs/dbraw/zinc/69/73/75/949697375.db2.gz KUZAXAODONCWLP-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716592 949697385 /nfs/dbraw/zinc/69/73/85/949697385.db2.gz KUZAXAODONCWLP-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575555057 949699052 /nfs/dbraw/zinc/69/90/52/949699052.db2.gz VKFVHUPBMBXLBF-STQMWFEESA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575275471 949698853 /nfs/dbraw/zinc/69/88/53/949698853.db2.gz DEYCHBZYEBTJLE-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575275471 949698868 /nfs/dbraw/zinc/69/88/68/949698868.db2.gz DEYCHBZYEBTJLE-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575555057 949699072 /nfs/dbraw/zinc/69/90/72/949699072.db2.gz VKFVHUPBMBXLBF-STQMWFEESA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716602 949700031 /nfs/dbraw/zinc/70/00/31/949700031.db2.gz KZTZPHORSSUVKO-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716602 949700043 /nfs/dbraw/zinc/70/00/43/949700043.db2.gz KZTZPHORSSUVKO-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1cncs1 ZINC001575275808 949700441 /nfs/dbraw/zinc/70/04/41/949700441.db2.gz DTAPWZSKEIDFKY-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1cncs1 ZINC001575275808 949700461 /nfs/dbraw/zinc/70/04/61/949700461.db2.gz DTAPWZSKEIDFKY-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574716697 949702979 /nfs/dbraw/zinc/70/29/79/949702979.db2.gz LARQIGHNIWYCQX-VHSXEESVSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574716697 949702997 /nfs/dbraw/zinc/70/29/97/949702997.db2.gz LARQIGHNIWYCQX-VHSXEESVSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001574478469 949706654 /nfs/dbraw/zinc/70/66/54/949706654.db2.gz XZRIQCCLIHFVTP-NHYWBVRUSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001574478469 949706672 /nfs/dbraw/zinc/70/66/72/949706672.db2.gz XZRIQCCLIHFVTP-NHYWBVRUSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575557144 949706392 /nfs/dbraw/zinc/70/63/92/949706392.db2.gz BOFPKKVJDWJENZ-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCOC1 ZINC001575557144 949706413 /nfs/dbraw/zinc/70/64/13/949706413.db2.gz BOFPKKVJDWJENZ-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CN(C)C2CCC2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575881273 949712898 /nfs/dbraw/zinc/71/28/98/949712898.db2.gz XAMBGHSCNXUBMM-JSGCOSHPSA-N -1 3 385.476 0.615 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881336 949717824 /nfs/dbraw/zinc/71/78/24/949717824.db2.gz XPYQRDVXPMVPTE-CHWSQXEVSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881336 949717835 /nfs/dbraw/zinc/71/78/35/949717835.db2.gz XPYQRDVXPMVPTE-CHWSQXEVSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576170461 949718194 /nfs/dbraw/zinc/71/81/94/949718194.db2.gz KXAHVHOYUUGFNP-DGCLKSJQSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575881338 949720375 /nfs/dbraw/zinc/72/03/75/949720375.db2.gz XPYQRDVXPMVPTE-QWHCGFSZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575881338 949720401 /nfs/dbraw/zinc/72/04/01/949720401.db2.gz XPYQRDVXPMVPTE-QWHCGFSZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574478818 949724416 /nfs/dbraw/zinc/72/44/16/949724416.db2.gz AWNIHSVDFSBHLX-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574478818 949724427 /nfs/dbraw/zinc/72/44/27/949724427.db2.gz AWNIHSVDFSBHLX-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574479105 949728622 /nfs/dbraw/zinc/72/86/22/949728622.db2.gz CVUIBSNKPAXVMH-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574479105 949728636 /nfs/dbraw/zinc/72/86/36/949728636.db2.gz CVUIBSNKPAXVMH-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)c1cocn1 ZINC001576170650 949729227 /nfs/dbraw/zinc/72/92/27/949729227.db2.gz MIHQRZQJFZJMIQ-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1cocn1 ZINC001576170650 949729235 /nfs/dbraw/zinc/72/92/35/949729235.db2.gz MIHQRZQJFZJMIQ-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574479275 949733897 /nfs/dbraw/zinc/73/38/97/949733897.db2.gz DFLADGZIGAZSRM-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574479275 949733908 /nfs/dbraw/zinc/73/39/08/949733908.db2.gz DFLADGZIGAZSRM-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574135712 949734127 /nfs/dbraw/zinc/73/41/27/949734127.db2.gz LRKCUKLPZFKCDO-OCCSQVGLSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574135712 949734142 /nfs/dbraw/zinc/73/41/42/949734142.db2.gz LRKCUKLPZFKCDO-OCCSQVGLSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574960996 949734473 /nfs/dbraw/zinc/73/44/73/949734473.db2.gz ZFNIPEFDZINRJN-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574960996 949734489 /nfs/dbraw/zinc/73/44/89/949734489.db2.gz ZFNIPEFDZINRJN-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1cnccn1 ZINC001575276903 949735241 /nfs/dbraw/zinc/73/52/41/949735241.db2.gz MUBVWMQXCSMCSF-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1cnccn1 ZINC001575276903 949735266 /nfs/dbraw/zinc/73/52/66/949735266.db2.gz MUBVWMQXCSMCSF-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574962491 949735229 /nfs/dbraw/zinc/73/52/29/949735229.db2.gz AUXXYBXFTUDZJF-BXKDBHETSA-N -1 3 392.851 0.477 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574962491 949735244 /nfs/dbraw/zinc/73/52/44/949735244.db2.gz AUXXYBXFTUDZJF-BXKDBHETSA-N -1 3 392.851 0.477 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276864 949735795 /nfs/dbraw/zinc/73/57/95/949735795.db2.gz MEQWBXXGUJYJCY-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276864 949735808 /nfs/dbraw/zinc/73/58/08/949735808.db2.gz MEQWBXXGUJYJCY-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CCN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)CCOC1 ZINC001575558363 949739006 /nfs/dbraw/zinc/73/90/06/949739006.db2.gz OVPUAYWONHJNQG-YRILPIOLSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)CCOC1 ZINC001575558363 949739021 /nfs/dbraw/zinc/73/90/21/949739021.db2.gz OVPUAYWONHJNQG-YRILPIOLSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCOCC(F)F ZINC001575277049 949739402 /nfs/dbraw/zinc/73/94/02/949739402.db2.gz NFMIGNXQHYWTDL-DTWKUNHWSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCOCC(F)F ZINC001575277049 949739417 /nfs/dbraw/zinc/73/94/17/949739417.db2.gz NFMIGNXQHYWTDL-DTWKUNHWSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881954 949743966 /nfs/dbraw/zinc/74/39/66/949743966.db2.gz DMZKWTAKOCIDNB-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881954 949743988 /nfs/dbraw/zinc/74/39/88/949743988.db2.gz DMZKWTAKOCIDNB-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1ccn[nH]1 ZINC001576170857 949744641 /nfs/dbraw/zinc/74/46/41/949744641.db2.gz NZSKBMSQTGXMGH-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCc1ccncc1 ZINC001575277192 949746663 /nfs/dbraw/zinc/74/66/63/949746663.db2.gz ORNBNVOMZJOKQK-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCc1ccncc1 ZINC001575277192 949746677 /nfs/dbraw/zinc/74/66/77/949746677.db2.gz ORNBNVOMZJOKQK-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574480417 949747144 /nfs/dbraw/zinc/74/71/44/949747144.db2.gz IGXYEFKZYZYCFZ-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574480417 949747157 /nfs/dbraw/zinc/74/71/57/949747157.db2.gz IGXYEFKZYZYCFZ-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CCN(c4ncccc4-c4nnn[n-]4)C[C@H]3C2)CCOC1 ZINC001575558842 949748333 /nfs/dbraw/zinc/74/83/33/949748333.db2.gz SNHLGUNGIQOTCV-TYILLQQXSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1csnn1 ZINC001575881998 949748292 /nfs/dbraw/zinc/74/82/92/949748292.db2.gz FBSQAPQIWQSWAD-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1csnn1 ZINC001575881998 949748307 /nfs/dbraw/zinc/74/83/07/949748307.db2.gz FBSQAPQIWQSWAD-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CCN(c4ncccc4-c4nn[n-]n4)C[C@H]3C2)CCOC1 ZINC001575558842 949748350 /nfs/dbraw/zinc/74/83/50/949748350.db2.gz SNHLGUNGIQOTCV-TYILLQQXSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575277336 949750329 /nfs/dbraw/zinc/75/03/29/949750329.db2.gz PZUMQCSHKOQOKH-GFCCVEGCSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575277336 949750343 /nfs/dbraw/zinc/75/03/43/949750343.db2.gz PZUMQCSHKOQOKH-GFCCVEGCSA-N -1 3 392.485 0.238 20 0 GCADHM CC1(C(=O)N[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCOCC1 ZINC001575559276 949753728 /nfs/dbraw/zinc/75/37/28/949753728.db2.gz WFITUQRLZZHWII-AWEZNQCLSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCOCC1 ZINC001575559276 949753747 /nfs/dbraw/zinc/75/37/47/949753747.db2.gz WFITUQRLZZHWII-AWEZNQCLSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnns1 ZINC001575882101 949753920 /nfs/dbraw/zinc/75/39/20/949753920.db2.gz GDQJUTAMTVDEKP-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnns1 ZINC001575882101 949753932 /nfs/dbraw/zinc/75/39/32/949753932.db2.gz GDQJUTAMTVDEKP-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574480526 949754307 /nfs/dbraw/zinc/75/43/07/949754307.db2.gz JLGIWXFCTPIWMX-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574480526 949754320 /nfs/dbraw/zinc/75/43/20/949754320.db2.gz JLGIWXFCTPIWMX-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](NC(=O)CCc1nccs1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277631 949755680 /nfs/dbraw/zinc/75/56/80/949755680.db2.gz RLQPIHUSJXBSSF-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1nccs1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277631 949755695 /nfs/dbraw/zinc/75/56/95/949755695.db2.gz RLQPIHUSJXBSSF-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](NC(=O)CCc1nccs1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277633 949755917 /nfs/dbraw/zinc/75/59/17/949755917.db2.gz RLQPIHUSJXBSSF-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](NC(=O)CCc1nccs1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277633 949755925 /nfs/dbraw/zinc/75/59/25/949755925.db2.gz RLQPIHUSJXBSSF-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576171219 949756058 /nfs/dbraw/zinc/75/60/58/949756058.db2.gz PLIYDBXNGRXCQJ-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576171219 949756074 /nfs/dbraw/zinc/75/60/74/949756074.db2.gz PLIYDBXNGRXCQJ-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576171313 949757459 /nfs/dbraw/zinc/75/74/59/949757459.db2.gz QGLXBNVQFLSRLS-CHWSQXEVSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576171313 949757470 /nfs/dbraw/zinc/75/74/70/949757470.db2.gz QGLXBNVQFLSRLS-CHWSQXEVSA-N -1 3 386.460 0.257 20 0 GCADHM CC1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCCC1 ZINC001575559620 949757569 /nfs/dbraw/zinc/75/75/69/949757569.db2.gz WVEXPHGLNWUESV-CYBMUJFWSA-N -1 3 389.460 0.762 20 0 GCADHM CC1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCCC1 ZINC001575559620 949757579 /nfs/dbraw/zinc/75/75/79/949757579.db2.gz WVEXPHGLNWUESV-CYBMUJFWSA-N -1 3 389.460 0.762 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574480882 949758922 /nfs/dbraw/zinc/75/89/22/949758922.db2.gz KWMIEDUBHNUFDL-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccn(C)c1 ZINC001575882146 949759204 /nfs/dbraw/zinc/75/92/04/949759204.db2.gz GZKZABPBIOVINM-RISCZKNCSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccn(C)c1 ZINC001575882146 949759226 /nfs/dbraw/zinc/75/92/26/949759226.db2.gz GZKZABPBIOVINM-RISCZKNCSA-N -1 3 382.428 0.956 20 0 GCADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCCC1 ZINC001575559622 949759888 /nfs/dbraw/zinc/75/98/88/949759888.db2.gz WVEXPHGLNWUESV-ZDUSSCGKSA-N -1 3 389.460 0.762 20 0 GCADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCCC1 ZINC001575559622 949759905 /nfs/dbraw/zinc/75/99/05/949759905.db2.gz WVEXPHGLNWUESV-ZDUSSCGKSA-N -1 3 389.460 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575882264 949760694 /nfs/dbraw/zinc/76/06/94/949760694.db2.gz IEQIJLOKWNHGJN-APACUCGBSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575882264 949760708 /nfs/dbraw/zinc/76/07/08/949760708.db2.gz IEQIJLOKWNHGJN-APACUCGBSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](NC(=O)CCc1cscn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277972 949761815 /nfs/dbraw/zinc/76/18/15/949761815.db2.gz UCBDBKKJHMWYRF-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](NC(=O)CCc1cscn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277972 949761840 /nfs/dbraw/zinc/76/18/40/949761840.db2.gz UCBDBKKJHMWYRF-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1cncnc1 ZINC001575278200 949764337 /nfs/dbraw/zinc/76/43/37/949764337.db2.gz UHYNVIWQKTUROE-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1cncnc1 ZINC001575278200 949764352 /nfs/dbraw/zinc/76/43/52/949764352.db2.gz UHYNVIWQKTUROE-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cnoc2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575882336 949765800 /nfs/dbraw/zinc/76/58/00/949765800.db2.gz IXFPBAHQALCCDD-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cnoc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882336 949765814 /nfs/dbraw/zinc/76/58/14/949765814.db2.gz IXFPBAHQALCCDD-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574964049 949765952 /nfs/dbraw/zinc/76/59/52/949765952.db2.gz OYZWGMBQENFZMF-GZMMTYOYSA-N -1 3 378.824 0.500 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574964049 949765960 /nfs/dbraw/zinc/76/59/60/949765960.db2.gz OYZWGMBQENFZMF-GZMMTYOYSA-N -1 3 378.824 0.500 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CC(C)(C)CO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718227 949768414 /nfs/dbraw/zinc/76/84/14/949768414.db2.gz ZLHNMZDRBATDIX-YPMHNXCESA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CC(C)(C)CO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718227 949768424 /nfs/dbraw/zinc/76/84/24/949768424.db2.gz ZLHNMZDRBATDIX-YPMHNXCESA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)CCc1nccs1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575278809 949769034 /nfs/dbraw/zinc/76/90/34/949769034.db2.gz VSWHHPWRWLHFCJ-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1nccs1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575278809 949769052 /nfs/dbraw/zinc/76/90/52/949769052.db2.gz VSWHHPWRWLHFCJ-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575882327 949769352 /nfs/dbraw/zinc/76/93/52/949769352.db2.gz IUMZXKLLNCEEMH-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575882327 949769376 /nfs/dbraw/zinc/76/93/76/949769376.db2.gz IUMZXKLLNCEEMH-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cncs2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575882418 949771234 /nfs/dbraw/zinc/77/12/34/949771234.db2.gz KPDGYAALDXJNKH-MWLCHTKSSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cncs2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575882418 949771246 /nfs/dbraw/zinc/77/12/46/949771246.db2.gz KPDGYAALDXJNKH-MWLCHTKSSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cncs2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575882416 949771916 /nfs/dbraw/zinc/77/19/16/949771916.db2.gz KPDGYAALDXJNKH-GXSJLCMTSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cncs2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575882416 949771927 /nfs/dbraw/zinc/77/19/27/949771927.db2.gz KPDGYAALDXJNKH-GXSJLCMTSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnsn1 ZINC001575882396 949774262 /nfs/dbraw/zinc/77/42/62/949774262.db2.gz KCDCAMCFGYMMCE-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnsn1 ZINC001575882396 949774277 /nfs/dbraw/zinc/77/42/77/949774277.db2.gz KCDCAMCFGYMMCE-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574137913 949777238 /nfs/dbraw/zinc/77/72/38/949777238.db2.gz YUXSYXHEUVJURN-WCQYABFASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574137913 949777253 /nfs/dbraw/zinc/77/72/53/949777253.db2.gz YUXSYXHEUVJURN-WCQYABFASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574138063 949778573 /nfs/dbraw/zinc/77/85/73/949778573.db2.gz ZTLULQSYOOFONY-GFCCVEGCSA-N -1 3 377.449 0.428 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574138063 949778603 /nfs/dbraw/zinc/77/86/03/949778603.db2.gz ZTLULQSYOOFONY-GFCCVEGCSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576171803 949780033 /nfs/dbraw/zinc/78/00/33/949780033.db2.gz SOPWQVRJZPANGD-TZMCWYRMSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576171803 949780042 /nfs/dbraw/zinc/78/00/42/949780042.db2.gz SOPWQVRJZPANGD-TZMCWYRMSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574481452 949780304 /nfs/dbraw/zinc/78/03/04/949780304.db2.gz PZLRFEKTOVEDSO-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574481452 949780328 /nfs/dbraw/zinc/78/03/28/949780328.db2.gz PZLRFEKTOVEDSO-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574481533 949781884 /nfs/dbraw/zinc/78/18/84/949781884.db2.gz QZTSJOAPDWWUEN-STQMWFEESA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574481533 949781900 /nfs/dbraw/zinc/78/19/00/949781900.db2.gz QZTSJOAPDWWUEN-STQMWFEESA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CC1(O)CCC1 ZINC001575882543 949783683 /nfs/dbraw/zinc/78/36/83/949783683.db2.gz MOPNSBAALSLXLR-YPMHNXCESA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CC1(O)CCC1 ZINC001575882543 949783704 /nfs/dbraw/zinc/78/37/04/949783704.db2.gz MOPNSBAALSLXLR-YPMHNXCESA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575279545 949783975 /nfs/dbraw/zinc/78/39/75/949783975.db2.gz YXSIVVFYQVZEOK-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575279545 949783987 /nfs/dbraw/zinc/78/39/87/949783987.db2.gz YXSIVVFYQVZEOK-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574481553 949788243 /nfs/dbraw/zinc/78/82/43/949788243.db2.gz RNIUSWUJSZYPOC-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574481553 949788257 /nfs/dbraw/zinc/78/82/57/949788257.db2.gz RNIUSWUJSZYPOC-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)CCCn1ccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574720482 949790093 /nfs/dbraw/zinc/79/00/93/949790093.db2.gz AIRZIXMCTBIAKE-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CN(C)C(=O)CCCn1ccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574720482 949790106 /nfs/dbraw/zinc/79/01/06/949790106.db2.gz AIRZIXMCTBIAKE-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574481625 949792230 /nfs/dbraw/zinc/79/22/30/949792230.db2.gz SEIIZGUOTGAUPS-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574481625 949792255 /nfs/dbraw/zinc/79/22/55/949792255.db2.gz SEIIZGUOTGAUPS-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)COC1CCCC1 ZINC001575280876 949793765 /nfs/dbraw/zinc/79/37/65/949793765.db2.gz AYWBAHXDUBPVFU-WDEREUQCSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)COC1CCCC1 ZINC001575280876 949793779 /nfs/dbraw/zinc/79/37/79/949793779.db2.gz AYWBAHXDUBPVFU-WDEREUQCSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882851 949794019 /nfs/dbraw/zinc/79/40/19/949794019.db2.gz AYVYCOZBRJOVKI-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882851 949794037 /nfs/dbraw/zinc/79/40/37/949794037.db2.gz AYVYCOZBRJOVKI-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574481624 949794296 /nfs/dbraw/zinc/79/42/96/949794296.db2.gz SEIIZGUOTGAUPS-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)C1CCOCC1 ZINC001575882820 949794188 /nfs/dbraw/zinc/79/41/88/949794188.db2.gz OIOJFVNZVLSRKD-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)C1CCOCC1 ZINC001575882820 949794202 /nfs/dbraw/zinc/79/42/02/949794202.db2.gz OIOJFVNZVLSRKD-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574481624 949794312 /nfs/dbraw/zinc/79/43/12/949794312.db2.gz SEIIZGUOTGAUPS-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573822615 949796063 /nfs/dbraw/zinc/79/60/63/949796063.db2.gz KSBPTJRENOWYIY-RYUDHWBXSA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573822615 949796078 /nfs/dbraw/zinc/79/60/78/949796078.db2.gz KSBPTJRENOWYIY-RYUDHWBXSA-N -1 3 390.423 0.622 20 0 GCADHM C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574720589 949796892 /nfs/dbraw/zinc/79/68/92/949796892.db2.gz DGCZKYWENMPKFD-VIFPVBQESA-N -1 3 385.425 0.094 20 0 GCADHM C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574720589 949796904 /nfs/dbraw/zinc/79/69/04/949796904.db2.gz DGCZKYWENMPKFD-VIFPVBQESA-N -1 3 385.425 0.094 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574720582 949797033 /nfs/dbraw/zinc/79/70/33/949797033.db2.gz DBUBEWNLFBCQEE-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574720582 949797048 /nfs/dbraw/zinc/79/70/48/949797048.db2.gz DBUBEWNLFBCQEE-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574481778 949797373 /nfs/dbraw/zinc/79/73/73/949797373.db2.gz VJDYNFKCEKCZGN-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574481778 949797390 /nfs/dbraw/zinc/79/73/90/949797390.db2.gz VJDYNFKCEKCZGN-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574720629 949800002 /nfs/dbraw/zinc/80/00/02/949800002.db2.gz DXURHLRCONDWDO-NSHDSACASA-N -1 3 381.462 0.345 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574720629 949800027 /nfs/dbraw/zinc/80/00/27/949800027.db2.gz DXURHLRCONDWDO-NSHDSACASA-N -1 3 381.462 0.345 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)COc1ccccc1 ZINC001575281260 949800652 /nfs/dbraw/zinc/80/06/52/949800652.db2.gz FDYXKESUKTXCID-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)COc1ccccc1 ZINC001575281260 949800676 /nfs/dbraw/zinc/80/06/76/949800676.db2.gz FDYXKESUKTXCID-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575883109 949800852 /nfs/dbraw/zinc/80/08/52/949800852.db2.gz PUDJAPRMHMRDGW-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575883109 949800878 /nfs/dbraw/zinc/80/08/78/949800878.db2.gz PUDJAPRMHMRDGW-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)COc1ccsc1 ZINC001575281103 949801113 /nfs/dbraw/zinc/80/11/13/949801113.db2.gz DCFXQTCKMWPVLQ-VHSXEESVSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)COc1ccsc1 ZINC001575281103 949801137 /nfs/dbraw/zinc/80/11/37/949801137.db2.gz DCFXQTCKMWPVLQ-VHSXEESVSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575281258 949801254 /nfs/dbraw/zinc/80/12/54/949801254.db2.gz FDYXKESUKTXCID-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575281258 949801276 /nfs/dbraw/zinc/80/12/76/949801276.db2.gz FDYXKESUKTXCID-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@]1(C(=O)NC2(CCO)CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)CCOC1 ZINC001575561031 949801806 /nfs/dbraw/zinc/80/18/06/949801806.db2.gz XQIKBLPIYVEMMF-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@]1(C(=O)NC2(CCO)CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CCOC1 ZINC001575561031 949801827 /nfs/dbraw/zinc/80/18/27/949801827.db2.gz XQIKBLPIYVEMMF-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574139007 949802761 /nfs/dbraw/zinc/80/27/61/949802761.db2.gz HDYNYCVSUQWWRJ-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574139007 949802778 /nfs/dbraw/zinc/80/27/78/949802778.db2.gz HDYNYCVSUQWWRJ-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575281264 949810021 /nfs/dbraw/zinc/81/00/21/949810021.db2.gz FDYXKESUKTXCID-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575281264 949810046 /nfs/dbraw/zinc/81/00/46/949810046.db2.gz FDYXKESUKTXCID-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574481893 949811521 /nfs/dbraw/zinc/81/15/21/949811521.db2.gz XDJHPXLVBFYFGE-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574481893 949811545 /nfs/dbraw/zinc/81/15/45/949811545.db2.gz XDJHPXLVBFYFGE-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172599 949812696 /nfs/dbraw/zinc/81/26/96/949812696.db2.gz XUWDXTXATJHCST-YPMHNXCESA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576172602 949812781 /nfs/dbraw/zinc/81/27/81/949812781.db2.gz XVHMJQSGCQZRCB-OCCSQVGLSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576172602 949812810 /nfs/dbraw/zinc/81/28/10/949812810.db2.gz XVHMJQSGCQZRCB-OCCSQVGLSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172598 949813625 /nfs/dbraw/zinc/81/36/25/949813625.db2.gz XUWDXTXATJHCST-WCQYABFASA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721432 949815052 /nfs/dbraw/zinc/81/50/52/949815052.db2.gz LIKPFMQQPMNASC-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721432 949815069 /nfs/dbraw/zinc/81/50/69/949815069.db2.gz LIKPFMQQPMNASC-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575883301 949815253 /nfs/dbraw/zinc/81/52/53/949815253.db2.gz RBUZMLSFFQILAM-AMFXNCCOSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575883301 949815270 /nfs/dbraw/zinc/81/52/70/949815270.db2.gz RBUZMLSFFQILAM-AMFXNCCOSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721450 949816320 /nfs/dbraw/zinc/81/63/20/949816320.db2.gz LPWMJALUMDAXCK-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721450 949816342 /nfs/dbraw/zinc/81/63/42/949816342.db2.gz LPWMJALUMDAXCK-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574965835 949817564 /nfs/dbraw/zinc/81/75/64/949817564.db2.gz NCUCENDDQJLJDM-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574965835 949817581 /nfs/dbraw/zinc/81/75/81/949817581.db2.gz NCUCENDDQJLJDM-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721760 949819581 /nfs/dbraw/zinc/81/95/81/949819581.db2.gz NQLQYUSLKPSIFY-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721760 949819599 /nfs/dbraw/zinc/81/95/99/949819599.db2.gz NQLQYUSLKPSIFY-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576172868 949820644 /nfs/dbraw/zinc/82/06/44/949820644.db2.gz YWFAARRVXRRYPX-GXTWGEPZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576172868 949820659 /nfs/dbraw/zinc/82/06/59/949820659.db2.gz YWFAARRVXRRYPX-GXTWGEPZSA-N -1 3 386.460 0.257 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574139922 949822722 /nfs/dbraw/zinc/82/27/22/949822722.db2.gz LLDKXWKZWUKXGU-WCQYABFASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574139922 949822745 /nfs/dbraw/zinc/82/27/45/949822745.db2.gz LLDKXWKZWUKXGU-WCQYABFASA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CC(C)(C)O ZINC001575883669 949825464 /nfs/dbraw/zinc/82/54/64/949825464.db2.gz SCWHWXCPMRXKFE-JQWIXIFHSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CC(C)(C)O ZINC001575883669 949825474 /nfs/dbraw/zinc/82/54/74/949825474.db2.gz SCWHWXCPMRXKFE-JQWIXIFHSA-N -1 3 375.433 0.465 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574139713 949825670 /nfs/dbraw/zinc/82/56/70/949825670.db2.gz LGQZVAOIBMSCKK-WCQYABFASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574139713 949825693 /nfs/dbraw/zinc/82/56/93/949825693.db2.gz LGQZVAOIBMSCKK-WCQYABFASA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575883794 949831490 /nfs/dbraw/zinc/83/14/90/949831490.db2.gz HGFCHFBXMRKCKS-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575883794 949831511 /nfs/dbraw/zinc/83/15/11/949831511.db2.gz HGFCHFBXMRKCKS-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ncccn1 ZINC001575883938 949833627 /nfs/dbraw/zinc/83/36/27/949833627.db2.gz SXCMNTIWYBBONL-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ncccn1 ZINC001575883938 949833645 /nfs/dbraw/zinc/83/36/45/949833645.db2.gz SXCMNTIWYBBONL-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)n1ccnc1 ZINC001574483721 949836733 /nfs/dbraw/zinc/83/67/33/949836733.db2.gz JVYDHYSEDVAXBC-GFCCVEGCSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)n1ccnc1 ZINC001574483721 949836750 /nfs/dbraw/zinc/83/67/50/949836750.db2.gz JVYDHYSEDVAXBC-GFCCVEGCSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574483701 949836803 /nfs/dbraw/zinc/83/68/03/949836803.db2.gz JBZZQWOIKBMHRU-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574483701 949836811 /nfs/dbraw/zinc/83/68/11/949836811.db2.gz JBZZQWOIKBMHRU-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574966263 949837631 /nfs/dbraw/zinc/83/76/31/949837631.db2.gz VUAHAWPRVHGETF-ABKXIKBNSA-N -1 3 376.396 0.010 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574966263 949837651 /nfs/dbraw/zinc/83/76/51/949837651.db2.gz VUAHAWPRVHGETF-ABKXIKBNSA-N -1 3 376.396 0.010 20 0 GCADHM CC1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOCC1 ZINC001575563252 949837978 /nfs/dbraw/zinc/83/79/78/949837978.db2.gz JYQOJLLTNJWAHT-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOCC1 ZINC001575563252 949838002 /nfs/dbraw/zinc/83/80/02/949838002.db2.gz JYQOJLLTNJWAHT-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](NC(=O)CCn1ccnc1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575282498 949839805 /nfs/dbraw/zinc/83/98/05/949839805.db2.gz CGQGHOUMOYKJED-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574966235 949840156 /nfs/dbraw/zinc/84/01/56/949840156.db2.gz VGTNOTYJILTHML-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574966235 949840176 /nfs/dbraw/zinc/84/01/76/949840176.db2.gz VGTNOTYJILTHML-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001574483768 949843373 /nfs/dbraw/zinc/84/33/73/949843373.db2.gz LRKUXGFKJOWSJQ-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001574483768 949843398 /nfs/dbraw/zinc/84/33/98/949843398.db2.gz LRKUXGFKJOWSJQ-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573824074 949845361 /nfs/dbraw/zinc/84/53/61/949845361.db2.gz CIFPJXGYZKBPDQ-WCQYABFASA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573824074 949845382 /nfs/dbraw/zinc/84/53/82/949845382.db2.gz CIFPJXGYZKBPDQ-WCQYABFASA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574141265 949850801 /nfs/dbraw/zinc/85/08/01/949850801.db2.gz SHQROLPUALSIIZ-GXTWGEPZSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574141265 949850823 /nfs/dbraw/zinc/85/08/23/949850823.db2.gz SHQROLPUALSIIZ-GXTWGEPZSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)C1 ZINC001573824579 949854061 /nfs/dbraw/zinc/85/40/61/949854061.db2.gz HHTQXWHHVWMHHQ-VHMBPLKRSA-N -1 3 385.472 1.000 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)C1 ZINC001573824579 949854087 /nfs/dbraw/zinc/85/40/87/949854087.db2.gz HHTQXWHHVWMHHQ-VHMBPLKRSA-N -1 3 385.472 1.000 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2cncn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575884684 949853957 /nfs/dbraw/zinc/85/39/57/949853957.db2.gz VJVWHKHFWMICKP-ZWNOBZJWSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2cncn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575884684 949853978 /nfs/dbraw/zinc/85/39/78/949853978.db2.gz VJVWHKHFWMICKP-ZWNOBZJWSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001574966675 949854929 /nfs/dbraw/zinc/85/49/29/949854929.db2.gz BCPDGYMDKGQXTA-WCQYABFASA-N -1 3 387.444 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001574966675 949854948 /nfs/dbraw/zinc/85/49/48/949854948.db2.gz BCPDGYMDKGQXTA-WCQYABFASA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)C1(C)CCOCC1 ZINC001574966729 949855277 /nfs/dbraw/zinc/85/52/77/949855277.db2.gz BNFGWDAORGUDTL-LLVKDONJSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)C1(C)CCOCC1 ZINC001574966729 949855295 /nfs/dbraw/zinc/85/52/95/949855295.db2.gz BNFGWDAORGUDTL-LLVKDONJSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575885264 949857031 /nfs/dbraw/zinc/85/70/31/949857031.db2.gz WCILYKOGLZBICZ-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575885264 949857051 /nfs/dbraw/zinc/85/70/51/949857051.db2.gz WCILYKOGLZBICZ-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573824592 949858823 /nfs/dbraw/zinc/85/88/23/949858823.db2.gz HNXBWPGIEWHQSJ-NHCYSSNCSA-N -1 3 387.448 0.404 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573824592 949858847 /nfs/dbraw/zinc/85/88/47/949858847.db2.gz HNXBWPGIEWHQSJ-NHCYSSNCSA-N -1 3 387.448 0.404 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575884998 949859401 /nfs/dbraw/zinc/85/94/01/949859401.db2.gz JTFQOFRDGTYNDY-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575884998 949859422 /nfs/dbraw/zinc/85/94/22/949859422.db2.gz JTFQOFRDGTYNDY-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575884994 949861618 /nfs/dbraw/zinc/86/16/18/949861618.db2.gz JTFQOFRDGTYNDY-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575884994 949861642 /nfs/dbraw/zinc/86/16/42/949861642.db2.gz JTFQOFRDGTYNDY-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575564639 949863286 /nfs/dbraw/zinc/86/32/86/949863286.db2.gz REQMOUSPAVXILN-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575564639 949863303 /nfs/dbraw/zinc/86/33/03/949863303.db2.gz REQMOUSPAVXILN-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573825176 949865223 /nfs/dbraw/zinc/86/52/23/949865223.db2.gz LNBVTYDFSJEGKX-GDKBPFBDSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573825176 949865239 /nfs/dbraw/zinc/86/52/39/949865239.db2.gz LNBVTYDFSJEGKX-GDKBPFBDSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573825242 949866478 /nfs/dbraw/zinc/86/64/78/949866478.db2.gz ODBQNVCSTTUZHQ-ZYHUDNBSSA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573825242 949866498 /nfs/dbraw/zinc/86/64/98/949866498.db2.gz ODBQNVCSTTUZHQ-ZYHUDNBSSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574724247 949866767 /nfs/dbraw/zinc/86/67/67/949866767.db2.gz FMYLGFGSSAJHDM-ZDUSSCGKSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574724247 949866790 /nfs/dbraw/zinc/86/67/90/949866790.db2.gz FMYLGFGSSAJHDM-ZDUSSCGKSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574724253 949867165 /nfs/dbraw/zinc/86/71/65/949867165.db2.gz FSBSVXUWKCLNNM-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574724253 949867186 /nfs/dbraw/zinc/86/71/86/949867186.db2.gz FSBSVXUWKCLNNM-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574724295 949867670 /nfs/dbraw/zinc/86/76/70/949867670.db2.gz GOHOGOQQPNUWOC-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1coc(C2CC2)n1 ZINC001574967572 949868819 /nfs/dbraw/zinc/86/88/19/949868819.db2.gz HQVXPLWVSMZHPP-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1coc(C2CC2)n1 ZINC001574967572 949868835 /nfs/dbraw/zinc/86/88/35/949868835.db2.gz HQVXPLWVSMZHPP-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@]1(C(=O)NC2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575564769 949869308 /nfs/dbraw/zinc/86/93/08/949869308.db2.gz SHNKXXLSFKWLID-KJBLDROHSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@]1(C(=O)NC2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575564769 949869331 /nfs/dbraw/zinc/86/93/31/949869331.db2.gz SHNKXXLSFKWLID-KJBLDROHSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574724336 949869530 /nfs/dbraw/zinc/86/95/30/949869530.db2.gz HDZJBURPDBCAII-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574724336 949869552 /nfs/dbraw/zinc/86/95/52/949869552.db2.gz HDZJBURPDBCAII-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573825240 949869672 /nfs/dbraw/zinc/86/96/72/949869672.db2.gz ODBQNVCSTTUZHQ-JQWIXIFHSA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573825240 949869690 /nfs/dbraw/zinc/86/96/90/949869690.db2.gz ODBQNVCSTTUZHQ-JQWIXIFHSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@H](NC(=O)COCC(F)F)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575283428 949870207 /nfs/dbraw/zinc/87/02/07/949870207.db2.gz OUMFJYWEBWJFJH-QMMMGPOBSA-N -1 3 383.359 0.053 20 0 GCADHM C[C@H](NC(=O)COCC(F)F)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575283428 949870230 /nfs/dbraw/zinc/87/02/30/949870230.db2.gz OUMFJYWEBWJFJH-QMMMGPOBSA-N -1 3 383.359 0.053 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575885635 949870982 /nfs/dbraw/zinc/87/09/82/949870982.db2.gz KLCHONDISKGNEY-PYISLEMLSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575885635 949870998 /nfs/dbraw/zinc/87/09/98/949870998.db2.gz KLCHONDISKGNEY-PYISLEMLSA-N -1 3 385.428 0.197 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573825293 949872122 /nfs/dbraw/zinc/87/21/22/949872122.db2.gz QLGVYDUEZZRLGS-CQSZACIVSA-N -1 3 386.460 0.250 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573825293 949872142 /nfs/dbraw/zinc/87/21/42/949872142.db2.gz QLGVYDUEZZRLGS-CQSZACIVSA-N -1 3 386.460 0.250 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1coc(C2CC2)n1 ZINC001574967571 949873157 /nfs/dbraw/zinc/87/31/57/949873157.db2.gz HQVXPLWVSMZHPP-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1coc(C2CC2)n1 ZINC001574967571 949873178 /nfs/dbraw/zinc/87/31/78/949873178.db2.gz HQVXPLWVSMZHPP-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576178045 949874201 /nfs/dbraw/zinc/87/42/01/949874201.db2.gz APBMWOHJCMRYMZ-ABAIWWIYSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576178045 949874225 /nfs/dbraw/zinc/87/42/25/949874225.db2.gz APBMWOHJCMRYMZ-ABAIWWIYSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574724647 949877813 /nfs/dbraw/zinc/87/78/13/949877813.db2.gz INOFDLSFEGLLEB-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574724647 949877839 /nfs/dbraw/zinc/87/78/39/949877839.db2.gz INOFDLSFEGLLEB-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574484433 949878319 /nfs/dbraw/zinc/87/83/19/949878319.db2.gz GJWCNFOJMWHIBT-CHWSQXEVSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574484433 949878342 /nfs/dbraw/zinc/87/83/42/949878342.db2.gz GJWCNFOJMWHIBT-CHWSQXEVSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001574967697 949879093 /nfs/dbraw/zinc/87/90/93/949879093.db2.gz JNOUBZDDNOPUJV-SECBINFHSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001574967697 949879115 /nfs/dbraw/zinc/87/91/15/949879115.db2.gz JNOUBZDDNOPUJV-SECBINFHSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1nccs1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574724717 949880694 /nfs/dbraw/zinc/88/06/94/949880694.db2.gz JYDUVTXSQLBZSG-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1nccs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574724717 949880715 /nfs/dbraw/zinc/88/07/15/949880715.db2.gz JYDUVTXSQLBZSG-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574968006 949880773 /nfs/dbraw/zinc/88/07/73/949880773.db2.gz KWDIFCHCGAWIOQ-TZQJONAQSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574968006 949880795 /nfs/dbraw/zinc/88/07/95/949880795.db2.gz KWDIFCHCGAWIOQ-TZQJONAQSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574967927 949881999 /nfs/dbraw/zinc/88/19/99/949881999.db2.gz JZFOIVKPOQDRIO-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574967927 949882030 /nfs/dbraw/zinc/88/20/30/949882030.db2.gz JZFOIVKPOQDRIO-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575886952 949888017 /nfs/dbraw/zinc/88/80/17/949888017.db2.gz MZXQOPPVBIBAPI-ZYHUDNBSSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575886952 949888029 /nfs/dbraw/zinc/88/80/29/949888029.db2.gz MZXQOPPVBIBAPI-ZYHUDNBSSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cccnc1)C1CC1 ZINC001574968129 949888710 /nfs/dbraw/zinc/88/87/10/949888710.db2.gz LUCRXMOGLRDHKC-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cccnc1)C1CC1 ZINC001574968129 949888729 /nfs/dbraw/zinc/88/87/29/949888729.db2.gz LUCRXMOGLRDHKC-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CNC(=O)c1c(F)cncc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574968152 949889576 /nfs/dbraw/zinc/88/95/76/949889576.db2.gz MHIUDYGYIRQCML-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H](CNC(=O)c1c(F)cncc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968152 949889592 /nfs/dbraw/zinc/88/95/92/949889592.db2.gz MHIUDYGYIRQCML-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)COc1cccnc1 ZINC001575284019 949891282 /nfs/dbraw/zinc/89/12/82/949891282.db2.gz SNZIXJDWTNVNTO-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)COc1cccnc1 ZINC001575284019 949891304 /nfs/dbraw/zinc/89/13/04/949891304.db2.gz SNZIXJDWTNVNTO-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576178556 949892117 /nfs/dbraw/zinc/89/21/17/949892117.db2.gz CEEAVPPTPLRPDA-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576178556 949892137 /nfs/dbraw/zinc/89/21/37/949892137.db2.gz CEEAVPPTPLRPDA-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574968194 949893433 /nfs/dbraw/zinc/89/34/33/949893433.db2.gz MYNWEBVVFXPBBB-LLVKDONJSA-N -1 3 381.444 0.739 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574968194 949893450 /nfs/dbraw/zinc/89/34/50/949893450.db2.gz MYNWEBVVFXPBBB-LLVKDONJSA-N -1 3 381.444 0.739 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575284231 949894219 /nfs/dbraw/zinc/89/42/19/949894219.db2.gz IQQKGVUCPRYFFE-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284231 949894242 /nfs/dbraw/zinc/89/42/42/949894242.db2.gz IQQKGVUCPRYFFE-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143426 949895422 /nfs/dbraw/zinc/89/54/22/949895422.db2.gz HOPDOVXNDZIMDQ-GXTWGEPZSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143426 949895445 /nfs/dbraw/zinc/89/54/45/949895445.db2.gz HOPDOVXNDZIMDQ-GXTWGEPZSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575887218 949901177 /nfs/dbraw/zinc/90/11/77/949901177.db2.gz OAFRKICCTCUXLI-FZMZJTMJSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575887218 949901205 /nfs/dbraw/zinc/90/12/05/949901205.db2.gz OAFRKICCTCUXLI-FZMZJTMJSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001574968614 949902356 /nfs/dbraw/zinc/90/23/56/949902356.db2.gz QWXFKRYWTGSQEI-SECBINFHSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001574968614 949902375 /nfs/dbraw/zinc/90/23/75/949902375.db2.gz QWXFKRYWTGSQEI-SECBINFHSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576178841 949903838 /nfs/dbraw/zinc/90/38/38/949903838.db2.gz JDOHFPQCNROWHO-CMPLNLGQSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576178841 949903851 /nfs/dbraw/zinc/90/38/51/949903851.db2.gz JDOHFPQCNROWHO-CMPLNLGQSA-N -1 3 383.420 0.138 20 0 GCADHM CC(C)C[C@H](C)N(C)C(=O)CN(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574144281 949905058 /nfs/dbraw/zinc/90/50/58/949905058.db2.gz NBBZQKADIPMLMH-ZDUSSCGKSA-N -1 3 390.492 0.749 20 0 GCADHM CC(C)C[C@H](C)N(C)C(=O)CN(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574144281 949905071 /nfs/dbraw/zinc/90/50/71/949905071.db2.gz NBBZQKADIPMLMH-ZDUSSCGKSA-N -1 3 390.492 0.749 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001574968652 949907311 /nfs/dbraw/zinc/90/73/11/949907311.db2.gz RDRMFCPIWFUQHZ-MRXNPFEDSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001574968808 949911863 /nfs/dbraw/zinc/91/18/63/949911863.db2.gz SRVTWXUUGLABIV-QGZVFWFLSA-N -1 3 387.444 0.515 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001574968808 949911882 /nfs/dbraw/zinc/91/18/82/949911882.db2.gz SRVTWXUUGLABIV-QGZVFWFLSA-N -1 3 387.444 0.515 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccncc1F ZINC001575887944 949914190 /nfs/dbraw/zinc/91/41/90/949914190.db2.gz PGHYCJMAXSZOGL-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccncc1F ZINC001575887944 949914220 /nfs/dbraw/zinc/91/42/20/949914220.db2.gz PGHYCJMAXSZOGL-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccncc1F ZINC001575887948 949916448 /nfs/dbraw/zinc/91/64/48/949916448.db2.gz PGHYCJMAXSZOGL-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccncc1F ZINC001575887948 949916466 /nfs/dbraw/zinc/91/64/66/949916466.db2.gz PGHYCJMAXSZOGL-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)CCC1 ZINC001575569373 949919929 /nfs/dbraw/zinc/91/99/29/949919929.db2.gz JSIDNWHQTOLMJH-QWHCGFSZSA-N -1 3 375.408 0.647 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)CCC1 ZINC001575569373 949919950 /nfs/dbraw/zinc/91/99/50/949919950.db2.gz JSIDNWHQTOLMJH-QWHCGFSZSA-N -1 3 375.408 0.647 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1ccnn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574726056 949923036 /nfs/dbraw/zinc/92/30/36/949923036.db2.gz XIJFJZIGFIUWOM-JTQLQIEISA-N -1 3 390.839 0.856 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1ccnn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574726056 949923053 /nfs/dbraw/zinc/92/30/53/949923053.db2.gz XIJFJZIGFIUWOM-JTQLQIEISA-N -1 3 390.839 0.856 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccccn1)C1CC1 ZINC001574969005 949925389 /nfs/dbraw/zinc/92/53/89/949925389.db2.gz XTNYQZSRSGQMKT-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccccn1)C1CC1 ZINC001574969005 949925403 /nfs/dbraw/zinc/92/54/03/949925403.db2.gz XTNYQZSRSGQMKT-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001574968986 949925637 /nfs/dbraw/zinc/92/56/37/949925637.db2.gz XJSRVEAJLWTQNH-KDOFPFPSSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001574968986 949925655 /nfs/dbraw/zinc/92/56/55/949925655.db2.gz XJSRVEAJLWTQNH-KDOFPFPSSA-N -1 3 387.444 0.779 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2 ZINC001573827644 949926446 /nfs/dbraw/zinc/92/64/46/949926446.db2.gz NBMDHLKGMXNGTC-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2 ZINC001573827644 949926462 /nfs/dbraw/zinc/92/64/62/949926462.db2.gz NBMDHLKGMXNGTC-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575889451 949930130 /nfs/dbraw/zinc/93/01/30/949930130.db2.gz RYZQMDCDMLCYRX-APPZFPTMSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575889451 949930147 /nfs/dbraw/zinc/93/01/47/949930147.db2.gz RYZQMDCDMLCYRX-APPZFPTMSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001574972533 949938004 /nfs/dbraw/zinc/93/80/04/949938004.db2.gz CWUCMPZOEBXOOR-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001574972533 949938021 /nfs/dbraw/zinc/93/80/21/949938021.db2.gz CWUCMPZOEBXOOR-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCOCC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574726471 949940489 /nfs/dbraw/zinc/94/04/89/949940489.db2.gz IRILBFHTCRSXLP-GFCCVEGCSA-N -1 3 377.424 0.597 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCOCC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574726471 949940509 /nfs/dbraw/zinc/94/05/09/949940509.db2.gz IRILBFHTCRSXLP-GFCCVEGCSA-N -1 3 377.424 0.597 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575285275 949941672 /nfs/dbraw/zinc/94/16/72/949941672.db2.gz MGEDWRDCUGIAQN-WCQYABFASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575285275 949941693 /nfs/dbraw/zinc/94/16/93/949941693.db2.gz MGEDWRDCUGIAQN-WCQYABFASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285269 949941769 /nfs/dbraw/zinc/94/17/69/949941769.db2.gz MCQGROULFMWNCY-ZJUUUORDSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285269 949941784 /nfs/dbraw/zinc/94/17/84/949941784.db2.gz MCQGROULFMWNCY-ZJUUUORDSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ncccc1-c1nnn[n-]1 ZINC001574726544 949941910 /nfs/dbraw/zinc/94/19/10/949941910.db2.gz JXSFYJDCQMXOLA-QWHCGFSZSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ncccc1-c1nn[n-]n1 ZINC001574726544 949941926 /nfs/dbraw/zinc/94/19/26/949941926.db2.gz JXSFYJDCQMXOLA-QWHCGFSZSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccnn1C ZINC001575890145 949941916 /nfs/dbraw/zinc/94/19/16/949941916.db2.gz VOHHJYWYXKMKMD-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccnn1C ZINC001575890145 949941933 /nfs/dbraw/zinc/94/19/33/949941933.db2.gz VOHHJYWYXKMKMD-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C1CCC(O)CC1 ZINC001574972579 949944137 /nfs/dbraw/zinc/94/41/37/949944137.db2.gz DCHURHZKNRRYKR-XSRFYTQQSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C1CCC(O)CC1 ZINC001574972579 949944160 /nfs/dbraw/zinc/94/41/60/949944160.db2.gz DCHURHZKNRRYKR-XSRFYTQQSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)CS(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574726582 949944687 /nfs/dbraw/zinc/94/46/87/949944687.db2.gz KICHVKJCOYMFGG-MRVPVSSYSA-N -1 3 387.853 0.219 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CC1CCOCC1 ZINC001575890166 949945261 /nfs/dbraw/zinc/94/52/61/949945261.db2.gz VUUFZFMTAUVUOP-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CC1CCOCC1 ZINC001575890166 949945279 /nfs/dbraw/zinc/94/52/79/949945279.db2.gz VUUFZFMTAUVUOP-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575890362 949945672 /nfs/dbraw/zinc/94/56/72/949945672.db2.gz WRVHIGTVOCPDJN-KWQFWETISA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575890362 949945687 /nfs/dbraw/zinc/94/56/87/949945687.db2.gz WRVHIGTVOCPDJN-KWQFWETISA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CC1CCOCC1 ZINC001575890169 949946618 /nfs/dbraw/zinc/94/66/18/949946618.db2.gz VUUFZFMTAUVUOP-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CC1CCOCC1 ZINC001575890169 949946642 /nfs/dbraw/zinc/94/66/42/949946642.db2.gz VUUFZFMTAUVUOP-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001574973037 949949960 /nfs/dbraw/zinc/94/99/60/949949960.db2.gz FYPFBARHYMNVNZ-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001574973037 949949987 /nfs/dbraw/zinc/94/99/87/949949987.db2.gz FYPFBARHYMNVNZ-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCO2 ZINC001573829211 949950034 /nfs/dbraw/zinc/95/00/34/949950034.db2.gz XOFLNVMDVCYFRR-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001573829211 949950055 /nfs/dbraw/zinc/95/00/55/949950055.db2.gz XOFLNVMDVCYFRR-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)COC(C)(C)C ZINC001575890400 949951171 /nfs/dbraw/zinc/95/11/71/949951171.db2.gz XHXOLVXGCXSOTJ-JQWIXIFHSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)COC(C)(C)C ZINC001575890400 949951191 /nfs/dbraw/zinc/95/11/91/949951191.db2.gz XHXOLVXGCXSOTJ-JQWIXIFHSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285576 949952360 /nfs/dbraw/zinc/95/23/60/949952360.db2.gz OYYGVRIBJUTKIV-STQMWFEESA-N -1 3 382.428 0.819 20 0 GCADHM C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285576 949952383 /nfs/dbraw/zinc/95/23/83/949952383.db2.gz OYYGVRIBJUTKIV-STQMWFEESA-N -1 3 382.428 0.819 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575890389 949953676 /nfs/dbraw/zinc/95/36/76/949953676.db2.gz XEZJXAXFFTVUQI-PWSUYJOCSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575890389 949953692 /nfs/dbraw/zinc/95/36/92/949953692.db2.gz XEZJXAXFFTVUQI-PWSUYJOCSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H](NC(=O)CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001575285795 949957460 /nfs/dbraw/zinc/95/74/60/949957460.db2.gz QQVHNQAVTGZDRK-GFCCVEGCSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](NC(=O)CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001575285795 949957479 /nfs/dbraw/zinc/95/74/79/949957479.db2.gz QQVHNQAVTGZDRK-GFCCVEGCSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@](CNC(=O)[C@]1(C)CCOC1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575571775 949957828 /nfs/dbraw/zinc/95/78/28/949957828.db2.gz ADAVDGPCZOKKPZ-MSOLQXFVSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)[C@]1(C)CCOC1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575571775 949957846 /nfs/dbraw/zinc/95/78/46/949957846.db2.gz ADAVDGPCZOKKPZ-MSOLQXFVSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC(=O)C1 ZINC001575571384 949958315 /nfs/dbraw/zinc/95/83/15/949958315.db2.gz ZZXMVNFYCVIKBT-GTNSWQLSSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576180498 949958738 /nfs/dbraw/zinc/95/87/38/949958738.db2.gz DNJJHUWKMPARGM-OCCSQVGLSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576180498 949958757 /nfs/dbraw/zinc/95/87/57/949958757.db2.gz DNJJHUWKMPARGM-OCCSQVGLSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@](CNC(=O)[C@@]1(C)CCOC1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575571778 949959254 /nfs/dbraw/zinc/95/92/54/949959254.db2.gz ADAVDGPCZOKKPZ-ZWKOTPCHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)[C@@]1(C)CCOC1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575571778 949959272 /nfs/dbraw/zinc/95/92/72/949959272.db2.gz ADAVDGPCZOKKPZ-ZWKOTPCHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727233 949959703 /nfs/dbraw/zinc/95/97/03/949959703.db2.gz QGNINIVJLUNPGM-LBPRGKRZSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727233 949959719 /nfs/dbraw/zinc/95/97/19/949959719.db2.gz QGNINIVJLUNPGM-LBPRGKRZSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574489320 949960039 /nfs/dbraw/zinc/96/00/39/949960039.db2.gz IKFGBQFCDUNLKR-GHMZBOCLSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574489320 949960056 /nfs/dbraw/zinc/96/00/56/949960056.db2.gz IKFGBQFCDUNLKR-GHMZBOCLSA-N -1 3 387.400 0.189 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCOC1 ZINC001574147917 949960861 /nfs/dbraw/zinc/96/08/61/949960861.db2.gz GHJMLBQXGCCQBR-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCOC1 ZINC001574147917 949960878 /nfs/dbraw/zinc/96/08/78/949960878.db2.gz GHJMLBQXGCCQBR-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)CC1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576180567 949961176 /nfs/dbraw/zinc/96/11/76/949961176.db2.gz OZEFRLRLVFRKBW-ZDUSSCGKSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575285973 949965338 /nfs/dbraw/zinc/96/53/38/949965338.db2.gz RYJORZLIDAONAF-GFCCVEGCSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575285973 949965356 /nfs/dbraw/zinc/96/53/56/949965356.db2.gz RYJORZLIDAONAF-GFCCVEGCSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575285977 949966059 /nfs/dbraw/zinc/96/60/59/949966059.db2.gz RYMHCJYDHPZHBT-WCQYABFASA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575285977 949966072 /nfs/dbraw/zinc/96/60/72/949966072.db2.gz RYMHCJYDHPZHBT-WCQYABFASA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574727490 949969054 /nfs/dbraw/zinc/96/90/54/949969054.db2.gz UHCFHPBBDKUYPK-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574727490 949969068 /nfs/dbraw/zinc/96/90/68/949969068.db2.gz UHCFHPBBDKUYPK-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)c1cocn1 ZINC001576180828 949970720 /nfs/dbraw/zinc/97/07/20/949970720.db2.gz JKTVVQLIVLHKAI-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1cocn1 ZINC001576180828 949970740 /nfs/dbraw/zinc/97/07/40/949970740.db2.gz JKTVVQLIVLHKAI-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)COC1CCCC1 ZINC001574974255 949973513 /nfs/dbraw/zinc/97/35/13/949973513.db2.gz MRYIFPLYOJXMCX-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)COC1CCCC1 ZINC001574974255 949973527 /nfs/dbraw/zinc/97/35/27/949973527.db2.gz MRYIFPLYOJXMCX-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575286189 949973727 /nfs/dbraw/zinc/97/37/27/949973727.db2.gz UKGPZFMAUYRACR-BXUZGUMPSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](CC(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)NC(N)=O ZINC001574489973 949974741 /nfs/dbraw/zinc/97/47/41/949974741.db2.gz MDYDUKUWCMETNA-QGHHPUGFSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H](CC(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)NC(N)=O ZINC001574489973 949974764 /nfs/dbraw/zinc/97/47/64/949974764.db2.gz MDYDUKUWCMETNA-QGHHPUGFSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001574974287 949974781 /nfs/dbraw/zinc/97/47/81/949974781.db2.gz NNCFNQWALBGHJF-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(CC(=O)N[C@@H](C)C2CC2)C1 ZINC001575286243 949974858 /nfs/dbraw/zinc/97/48/58/949974858.db2.gz UYSWKHGSJFVJRD-WDEREUQCSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(CC(=O)N[C@@H](C)C2CC2)C1 ZINC001575286243 949974878 /nfs/dbraw/zinc/97/48/78/949974878.db2.gz UYSWKHGSJFVJRD-WDEREUQCSA-N -1 3 386.460 0.160 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001574148134 949975214 /nfs/dbraw/zinc/97/52/14/949975214.db2.gz LENUREOQOVOGBH-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cncc(F)c1 ZINC001575890974 949975469 /nfs/dbraw/zinc/97/54/69/949975469.db2.gz CGFWJJUNCLWDED-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cncc(F)c1 ZINC001575890974 949975486 /nfs/dbraw/zinc/97/54/86/949975486.db2.gz CGFWJJUNCLWDED-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001574148134 949975233 /nfs/dbraw/zinc/97/52/33/949975233.db2.gz LENUREOQOVOGBH-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCNC(=O)C1 ZINC001575572332 949975591 /nfs/dbraw/zinc/97/55/91/949975591.db2.gz GACBNZFHFIMILY-KDOFPFPSSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCNC(=O)C1 ZINC001575572332 949975614 /nfs/dbraw/zinc/97/56/14/949975614.db2.gz GACBNZFHFIMILY-KDOFPFPSSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575286182 949976390 /nfs/dbraw/zinc/97/63/90/949976390.db2.gz UDOZTRCVZCZXLP-SMDDNHRTSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575286182 949976408 /nfs/dbraw/zinc/97/64/08/949976408.db2.gz UDOZTRCVZCZXLP-SMDDNHRTSA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnn1C ZINC001574148161 949977273 /nfs/dbraw/zinc/97/72/73/949977273.db2.gz LNDSVUZFNFYUBD-NSHDSACASA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnn1C ZINC001574148161 949977284 /nfs/dbraw/zinc/97/72/84/949977284.db2.gz LNDSVUZFNFYUBD-NSHDSACASA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)c1ccon1 ZINC001576180911 949977692 /nfs/dbraw/zinc/97/76/92/949977692.db2.gz KCKNLSGCZJCZSP-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1ccon1 ZINC001576180911 949977702 /nfs/dbraw/zinc/97/77/02/949977702.db2.gz KCKNLSGCZJCZSP-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cn1ccnc1 ZINC001575891006 949978213 /nfs/dbraw/zinc/97/82/13/949978213.db2.gz CPHCFRFGJAKREX-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cn1ccnc1 ZINC001575891006 949978237 /nfs/dbraw/zinc/97/82/37/949978237.db2.gz CPHCFRFGJAKREX-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM CC(C)C[C@H](CNC(=O)COC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574148148 949979151 /nfs/dbraw/zinc/97/91/51/949979151.db2.gz LIBYWEARLLHMLY-GFCCVEGCSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@H](CNC(=O)COC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574148148 949979180 /nfs/dbraw/zinc/97/91/80/949979180.db2.gz LIBYWEARLLHMLY-GFCCVEGCSA-N -1 3 377.449 0.881 20 0 GCADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCC1 ZINC001575572590 949979891 /nfs/dbraw/zinc/97/98/91/949979891.db2.gz GWFPJKQCLXXRRO-LLVKDONJSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCC1 ZINC001575572590 949979909 /nfs/dbraw/zinc/97/99/09/949979909.db2.gz GWFPJKQCLXXRRO-LLVKDONJSA-N -1 3 375.433 0.372 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001574148399 949980489 /nfs/dbraw/zinc/98/04/89/949980489.db2.gz MIVUCSDNCPQNEO-JSGCOSHPSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001574148399 949980504 /nfs/dbraw/zinc/98/05/04/949980504.db2.gz MIVUCSDNCPQNEO-JSGCOSHPSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCC1CCOCC1 ZINC001574974375 949981173 /nfs/dbraw/zinc/98/11/73/949981173.db2.gz PFUHQHOQQXFEGZ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCC1CCOCC1 ZINC001574974375 949981195 /nfs/dbraw/zinc/98/11/95/949981195.db2.gz PFUHQHOQQXFEGZ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1cccn1 ZINC001574148412 949981885 /nfs/dbraw/zinc/98/18/85/949981885.db2.gz MPWDPTDPBAAEQC-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1cccn1 ZINC001574148412 949981900 /nfs/dbraw/zinc/98/19/00/949981900.db2.gz MPWDPTDPBAAEQC-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nnsc1Cl ZINC001574974471 949985730 /nfs/dbraw/zinc/98/57/30/949985730.db2.gz AEAUVIFYNFEQJV-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nnsc1Cl ZINC001574974471 949985753 /nfs/dbraw/zinc/98/57/53/949985753.db2.gz AEAUVIFYNFEQJV-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCOC1 ZINC001575573257 949986979 /nfs/dbraw/zinc/98/69/79/949986979.db2.gz KZKWUAGMPUPSOP-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCOC1 ZINC001575573257 949987001 /nfs/dbraw/zinc/98/70/01/949987001.db2.gz KZKWUAGMPUPSOP-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575573210 949987482 /nfs/dbraw/zinc/98/74/82/949987482.db2.gz KVASMLUIKIUMHQ-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575573210 949987495 /nfs/dbraw/zinc/98/74/95/949987495.db2.gz KVASMLUIKIUMHQ-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)COCC(F)F ZINC001575891161 949987780 /nfs/dbraw/zinc/98/77/80/949987780.db2.gz FZBWXAIYUYHDSJ-BDAKNGLRSA-N -1 3 383.359 0.196 20 0 GCADHM CC(C)C[C@@H](CNC(=O)COC(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574148483 949987873 /nfs/dbraw/zinc/98/78/73/949987873.db2.gz OGSYHJTYBVFIHC-ZDUSSCGKSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@@H](CNC(=O)COC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148483 949987888 /nfs/dbraw/zinc/98/78/88/949987888.db2.gz OGSYHJTYBVFIHC-ZDUSSCGKSA-N -1 3 377.449 0.881 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)COCC(F)F ZINC001575891161 949987796 /nfs/dbraw/zinc/98/77/96/949987796.db2.gz FZBWXAIYUYHDSJ-BDAKNGLRSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H](NC(=O)CCn1ccnn1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575286744 949988033 /nfs/dbraw/zinc/98/80/33/949988033.db2.gz YDIXPLRHFIWPJJ-UWVGGRQHSA-N -1 3 390.839 0.902 20 0 GCADHM C[C@H](NC(=O)CCn1ccnn1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575286744 949988049 /nfs/dbraw/zinc/98/80/49/949988049.db2.gz YDIXPLRHFIWPJJ-UWVGGRQHSA-N -1 3 390.839 0.902 20 0 GCADHM C[C@]1(C(=O)NC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCOC1 ZINC001575573255 949988098 /nfs/dbraw/zinc/98/80/98/949988098.db2.gz KZKWUAGMPUPSOP-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCOC1 ZINC001575573255 949988117 /nfs/dbraw/zinc/98/81/17/949988117.db2.gz KZKWUAGMPUPSOP-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574974601 949990712 /nfs/dbraw/zinc/99/07/12/949990712.db2.gz BRKPGHKIZXFWRK-GXFFZTMASA-N -1 3 380.412 0.554 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574974601 949990733 /nfs/dbraw/zinc/99/07/33/949990733.db2.gz BRKPGHKIZXFWRK-GXFFZTMASA-N -1 3 380.412 0.554 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1n[nH]cc1F ZINC001574148826 949994644 /nfs/dbraw/zinc/99/46/44/949994644.db2.gz QYAHJCJWFJAVOS-JTQLQIEISA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1n[nH]cc1F ZINC001574148826 949994666 /nfs/dbraw/zinc/99/46/66/949994666.db2.gz QYAHJCJWFJAVOS-JTQLQIEISA-N -1 3 389.395 0.632 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574490480 949994929 /nfs/dbraw/zinc/99/49/29/949994929.db2.gz SOEUWLPSXAWOTQ-VWYCJHECSA-N -1 3 388.407 0.242 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574490480 949994948 /nfs/dbraw/zinc/99/49/48/949994948.db2.gz SOEUWLPSXAWOTQ-VWYCJHECSA-N -1 3 388.407 0.242 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnsn1 ZINC001574148898 949997128 /nfs/dbraw/zinc/99/71/28/949997128.db2.gz SFDHZKAIQWKFLL-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnsn1 ZINC001574148898 949997148 /nfs/dbraw/zinc/99/71/48/949997148.db2.gz SFDHZKAIQWKFLL-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)(C)C ZINC001574490435 949997239 /nfs/dbraw/zinc/99/72/39/949997239.db2.gz RNHDOHIIVXZDGI-RYUDHWBXSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)(C)C ZINC001574490435 949997257 /nfs/dbraw/zinc/99/72/57/949997257.db2.gz RNHDOHIIVXZDGI-RYUDHWBXSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575891360 949999229 /nfs/dbraw/zinc/99/92/29/949999229.db2.gz ISKOIHMIOVGJKL-DGCLKSJQSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575891360 949999236 /nfs/dbraw/zinc/99/92/36/949999236.db2.gz ISKOIHMIOVGJKL-DGCLKSJQSA-N -1 3 380.412 0.552 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1c[nH]cn1 ZINC001574148839 949999470 /nfs/dbraw/zinc/99/94/70/949999470.db2.gz RBUWINNNCOIBBX-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)Cc1ncccc1F ZINC001574974722 950000361 /nfs/dbraw/zinc/00/03/61/950000361.db2.gz SILUJTGZOBXMOJ-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)Cc1ncccc1F ZINC001574974722 950000385 /nfs/dbraw/zinc/00/03/85/950000385.db2.gz SILUJTGZOBXMOJ-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnsn1 ZINC001574148843 950001139 /nfs/dbraw/zinc/00/11/39/950001139.db2.gz RELHZAHEUZZSEJ-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnsn1 ZINC001574148843 950001159 /nfs/dbraw/zinc/00/11/59/950001159.db2.gz RELHZAHEUZZSEJ-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575891359 950002146 /nfs/dbraw/zinc/00/21/46/950002146.db2.gz ISKOIHMIOVGJKL-AAEUAGOBSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575891359 950002168 /nfs/dbraw/zinc/00/21/68/950002168.db2.gz ISKOIHMIOVGJKL-AAEUAGOBSA-N -1 3 380.412 0.552 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574149133 950003881 /nfs/dbraw/zinc/00/38/81/950003881.db2.gz TZLALONHPKLTTD-VXGBXAGGSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574149133 950003903 /nfs/dbraw/zinc/00/39/03/950003903.db2.gz TZLALONHPKLTTD-VXGBXAGGSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1ncnn1CCF ZINC001574974941 950007622 /nfs/dbraw/zinc/00/76/22/950007622.db2.gz FERMFCDXFVCAMJ-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1ncnn1CCF ZINC001574974941 950007646 /nfs/dbraw/zinc/00/76/46/950007646.db2.gz FERMFCDXFVCAMJ-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574490681 950010201 /nfs/dbraw/zinc/01/02/01/950010201.db2.gz XIFLFOUOPIHGKG-NOZJJQNGSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574490681 950010228 /nfs/dbraw/zinc/01/02/28/950010228.db2.gz XIFLFOUOPIHGKG-NOZJJQNGSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574490685 950010885 /nfs/dbraw/zinc/01/08/85/950010885.db2.gz XJEAYKIDPWGANS-AAEUAGOBSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574490685 950010909 /nfs/dbraw/zinc/01/09/09/950010909.db2.gz XJEAYKIDPWGANS-AAEUAGOBSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001575574331 950012192 /nfs/dbraw/zinc/01/21/92/950012192.db2.gz TUGODHIRUGTOMQ-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574490723 950012138 /nfs/dbraw/zinc/01/21/38/950012138.db2.gz XTFAUCMSJYMHJL-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001574490723 950012159 /nfs/dbraw/zinc/01/21/59/950012159.db2.gz XTFAUCMSJYMHJL-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001575574331 950012212 /nfs/dbraw/zinc/01/22/12/950012212.db2.gz TUGODHIRUGTOMQ-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1Cc2ccncc2C1 ZINC001574975156 950014069 /nfs/dbraw/zinc/01/40/69/950014069.db2.gz FNDYLUKWJFHNOP-CMPLNLGQSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1Cc2ccncc2C1 ZINC001574975156 950014089 /nfs/dbraw/zinc/01/40/89/950014089.db2.gz FNDYLUKWJFHNOP-CMPLNLGQSA-N -1 3 380.412 0.239 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150125 950016572 /nfs/dbraw/zinc/01/65/72/950016572.db2.gz XUXLAERFXCQYOZ-YPMHNXCESA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150125 950016589 /nfs/dbraw/zinc/01/65/89/950016589.db2.gz XUXLAERFXCQYOZ-YPMHNXCESA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001574149673 950016901 /nfs/dbraw/zinc/01/69/01/950016901.db2.gz WZJKPPYIFQTJQH-FZMZJTMJSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001574149673 950016922 /nfs/dbraw/zinc/01/69/22/950016922.db2.gz WZJKPPYIFQTJQH-FZMZJTMJSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001574149701 950017613 /nfs/dbraw/zinc/01/76/13/950017613.db2.gz XFPSEOWUSBUISE-LLVKDONJSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001574149701 950017633 /nfs/dbraw/zinc/01/76/33/950017633.db2.gz XFPSEOWUSBUISE-LLVKDONJSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001574150208 950018484 /nfs/dbraw/zinc/01/84/84/950018484.db2.gz ZDFRJNZIEARMBH-KPZWWZAWSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001574150208 950018506 /nfs/dbraw/zinc/01/85/06/950018506.db2.gz ZDFRJNZIEARMBH-KPZWWZAWSA-N -1 3 389.460 0.882 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ZINC001575575520 950053917 /nfs/dbraw/zinc/05/39/17/950053917.db2.gz KCVHGMOYXBRQDJ-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H](Nc2ncccc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575575520 950053938 /nfs/dbraw/zinc/05/39/38/950053938.db2.gz KCVHGMOYXBRQDJ-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001574976116 950054584 /nfs/dbraw/zinc/05/45/84/950054584.db2.gz MLKCFHXEDNPSDQ-CABZTGNLSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001574491990 950054613 /nfs/dbraw/zinc/05/46/13/950054613.db2.gz HYRPRKFQXIXUSW-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001574491990 950054639 /nfs/dbraw/zinc/05/46/39/950054639.db2.gz HYRPRKFQXIXUSW-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575892107 950056559 /nfs/dbraw/zinc/05/65/59/950056559.db2.gz ROLVKZAOYICUHK-QWRGUYRKSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575892107 950056583 /nfs/dbraw/zinc/05/65/83/950056583.db2.gz ROLVKZAOYICUHK-QWRGUYRKSA-N -1 3 375.433 0.729 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cncnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151049 950057588 /nfs/dbraw/zinc/05/75/88/950057588.db2.gz KCCWQZZHOMVZMV-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cncnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151049 950057612 /nfs/dbraw/zinc/05/76/12/950057612.db2.gz KCCWQZZHOMVZMV-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574976148 950060926 /nfs/dbraw/zinc/06/09/26/950060926.db2.gz MWMUBYWMFNKQRG-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574976148 950060948 /nfs/dbraw/zinc/06/09/48/950060948.db2.gz MWMUBYWMFNKQRG-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnsn1 ZINC001574151147 950061392 /nfs/dbraw/zinc/06/13/92/950061392.db2.gz LYQMCMAXSRXBQB-VIFPVBQESA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnsn1 ZINC001574151147 950061412 /nfs/dbraw/zinc/06/14/12/950061412.db2.gz LYQMCMAXSRXBQB-VIFPVBQESA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CN[C@H](C)c1nnnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151196 950062239 /nfs/dbraw/zinc/06/22/39/950062239.db2.gz NEILXPPLPQFWEM-PWSUYJOCSA-N -1 3 387.452 0.214 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573835749 950062968 /nfs/dbraw/zinc/06/29/68/950062968.db2.gz BNIRPQFIYQOLBJ-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573835749 950062988 /nfs/dbraw/zinc/06/29/88/950062988.db2.gz BNIRPQFIYQOLBJ-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ncccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151251 950063573 /nfs/dbraw/zinc/06/35/73/950063573.db2.gz OGPLIDQQHKZJHI-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ncccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151251 950063594 /nfs/dbraw/zinc/06/35/94/950063594.db2.gz OGPLIDQQHKZJHI-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1noc2c1COCC2 ZINC001574976216 950064834 /nfs/dbraw/zinc/06/48/34/950064834.db2.gz NZTMEJYSCHJQJI-SNVBAGLBSA-N -1 3 386.416 0.506 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1noc2c1COCC2 ZINC001574976216 950064855 /nfs/dbraw/zinc/06/48/55/950064855.db2.gz NZTMEJYSCHJQJI-SNVBAGLBSA-N -1 3 386.416 0.506 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575892307 950065432 /nfs/dbraw/zinc/06/54/32/950065432.db2.gz VNUWFDWHHVNOBY-WPRPVWTQSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575892307 950065452 /nfs/dbraw/zinc/06/54/52/950065452.db2.gz VNUWFDWHHVNOBY-WPRPVWTQSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001574976338 950068676 /nfs/dbraw/zinc/06/86/76/950068676.db2.gz QOGCKEVBGBOMHJ-GHMZBOCLSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001574976338 950068698 /nfs/dbraw/zinc/06/86/98/950068698.db2.gz QOGCKEVBGBOMHJ-GHMZBOCLSA-N -1 3 385.432 0.042 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1csnn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151353 950069367 /nfs/dbraw/zinc/06/93/67/950069367.db2.gz PRPBUCUSMVISEC-VIFPVBQESA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1csnn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151353 950069384 /nfs/dbraw/zinc/06/93/84/950069384.db2.gz PRPBUCUSMVISEC-VIFPVBQESA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CCOCC2)CCOC1 ZINC001575576502 950071686 /nfs/dbraw/zinc/07/16/86/950071686.db2.gz QCZIJNIQVIJMMV-QGZVFWFLSA-N -1 3 387.444 0.766 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CCOCC2)CCOC1 ZINC001575576502 950071700 /nfs/dbraw/zinc/07/17/00/950071700.db2.gz QCZIJNIQVIJMMV-QGZVFWFLSA-N -1 3 387.444 0.766 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574976347 950071994 /nfs/dbraw/zinc/07/19/94/950071994.db2.gz QOXHPBVXGFIKQG-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574976347 950072017 /nfs/dbraw/zinc/07/20/17/950072017.db2.gz QOXHPBVXGFIKQG-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM CC1(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCOCC2)CCC1 ZINC001575576540 950072606 /nfs/dbraw/zinc/07/26/06/950072606.db2.gz QVZDOWFCZTUMOP-UHFFFAOYSA-N -1 3 387.444 0.780 20 0 GCADHM CC1(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCOCC2)CCC1 ZINC001575576540 950072622 /nfs/dbraw/zinc/07/26/22/950072622.db2.gz QVZDOWFCZTUMOP-UHFFFAOYSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575892606 950074818 /nfs/dbraw/zinc/07/48/18/950074818.db2.gz YIURJFMMFMHLFM-OLZOCXBDSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575892606 950074839 /nfs/dbraw/zinc/07/48/39/950074839.db2.gz YIURJFMMFMHLFM-OLZOCXBDSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCCOC1 ZINC001575576631 950076122 /nfs/dbraw/zinc/07/61/22/950076122.db2.gz SFYJRQROWLTSFP-ZBEGNZNMSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCCOC1 ZINC001575576631 950076144 /nfs/dbraw/zinc/07/61/44/950076144.db2.gz SFYJRQROWLTSFP-ZBEGNZNMSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001575892560 950077224 /nfs/dbraw/zinc/07/72/24/950077224.db2.gz XYUOMUNNMYBISN-SFYZADRCSA-N -1 3 388.413 0.390 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575892598 950077381 /nfs/dbraw/zinc/07/73/81/950077381.db2.gz YHSCUVJYZAMXDJ-AAEUAGOBSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575892598 950077403 /nfs/dbraw/zinc/07/74/03/950077403.db2.gz YHSCUVJYZAMXDJ-AAEUAGOBSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001574976505 950078199 /nfs/dbraw/zinc/07/81/99/950078199.db2.gz UMOSOFAASJGPFG-ONGXEEELSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)c1cc(Cl)c(=O)[nH]n1 ZINC001574976523 950079200 /nfs/dbraw/zinc/07/92/00/950079200.db2.gz UTOXWXSEEYNNAD-ZETCQYMHSA-N -1 3 377.796 0.599 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573836440 950083653 /nfs/dbraw/zinc/08/36/53/950083653.db2.gz LAJVAXYCOQITML-QGZVFWFLSA-N -1 3 377.424 0.894 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573836440 950083675 /nfs/dbraw/zinc/08/36/75/950083675.db2.gz LAJVAXYCOQITML-QGZVFWFLSA-N -1 3 377.424 0.894 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccnn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151618 950091472 /nfs/dbraw/zinc/09/14/72/950091472.db2.gz WGJSHCKMYJTMIZ-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccnn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151618 950091506 /nfs/dbraw/zinc/09/15/06/950091506.db2.gz WGJSHCKMYJTMIZ-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC1(C(=O)NCC2(O)CN(Cc3cccc(-c4nnn[n-]4)c3)C2)CC(F)(F)C1 ZINC001575581960 950093111 /nfs/dbraw/zinc/09/31/11/950093111.db2.gz ABQDJKDLYNGRMG-UHFFFAOYSA-N -1 3 392.410 0.965 20 0 GCADHM CC1(C(=O)NCC2(O)CN(Cc3cccc(-c4nn[n-]n4)c3)C2)CC(F)(F)C1 ZINC001575581960 950093130 /nfs/dbraw/zinc/09/31/30/950093130.db2.gz ABQDJKDLYNGRMG-UHFFFAOYSA-N -1 3 392.410 0.965 20 0 GCADHM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574976711 950096405 /nfs/dbraw/zinc/09/64/05/950096405.db2.gz ZEEYIMAHVJZGFN-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574976711 950096424 /nfs/dbraw/zinc/09/64/24/950096424.db2.gz ZEEYIMAHVJZGFN-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576183732 950099556 /nfs/dbraw/zinc/09/95/56/950099556.db2.gz UDFVLFSQSYOGDI-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576183732 950099577 /nfs/dbraw/zinc/09/95/77/950099577.db2.gz UDFVLFSQSYOGDI-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576183731 950100255 /nfs/dbraw/zinc/10/02/55/950100255.db2.gz UDFVLFSQSYOGDI-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576183731 950100284 /nfs/dbraw/zinc/10/02/84/950100284.db2.gz UDFVLFSQSYOGDI-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574733213 950100684 /nfs/dbraw/zinc/10/06/84/950100684.db2.gz VTUMOBUBZIHMSI-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574976798 950100683 /nfs/dbraw/zinc/10/06/83/950100683.db2.gz AVWZAUDTDMBWKK-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574976798 950100697 /nfs/dbraw/zinc/10/06/97/950100697.db2.gz AVWZAUDTDMBWKK-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574733213 950100700 /nfs/dbraw/zinc/10/07/00/950100700.db2.gz VTUMOBUBZIHMSI-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574976799 950100951 /nfs/dbraw/zinc/10/09/51/950100951.db2.gz AVWZAUDTDMBWKK-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574976799 950100962 /nfs/dbraw/zinc/10/09/62/950100962.db2.gz AVWZAUDTDMBWKK-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574976773 950101019 /nfs/dbraw/zinc/10/10/19/950101019.db2.gz AJPHDJHUDNLZPX-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574976773 950101030 /nfs/dbraw/zinc/10/10/30/950101030.db2.gz AJPHDJHUDNLZPX-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574976782 950101057 /nfs/dbraw/zinc/10/10/57/950101057.db2.gz APOWCVDZDGPIBM-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574976782 950101068 /nfs/dbraw/zinc/10/10/68/950101068.db2.gz APOWCVDZDGPIBM-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccn(C(F)F)n1 ZINC001574976824 950101341 /nfs/dbraw/zinc/10/13/41/950101341.db2.gz BRVOKVIZOOUYOD-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccn(C(F)F)n1 ZINC001574976824 950101348 /nfs/dbraw/zinc/10/13/48/950101348.db2.gz BRVOKVIZOOUYOD-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574492706 950103832 /nfs/dbraw/zinc/10/38/32/950103832.db2.gz ORZMKNBFSDHYKR-SJKOYZFVSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574492706 950103854 /nfs/dbraw/zinc/10/38/54/950103854.db2.gz ORZMKNBFSDHYKR-SJKOYZFVSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574492877 950108550 /nfs/dbraw/zinc/10/85/50/950108550.db2.gz DKRRWKGZPLURAW-WDEREUQCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574492877 950108570 /nfs/dbraw/zinc/10/85/70/950108570.db2.gz DKRRWKGZPLURAW-WDEREUQCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574977068 950109100 /nfs/dbraw/zinc/10/91/00/950109100.db2.gz GNDCGVODFWAVLH-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574977068 950109117 /nfs/dbraw/zinc/10/91/17/950109117.db2.gz GNDCGVODFWAVLH-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc2c(c1)COC2 ZINC001574977042 950109640 /nfs/dbraw/zinc/10/96/40/950109640.db2.gz FVTLBSSIHHHBCN-JTQLQIEISA-N -1 3 381.396 0.773 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc2c(c1)COC2 ZINC001574977042 950109649 /nfs/dbraw/zinc/10/96/49/950109649.db2.gz FVTLBSSIHHHBCN-JTQLQIEISA-N -1 3 381.396 0.773 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccncc1Cl ZINC001574977034 950110185 /nfs/dbraw/zinc/11/01/85/950110185.db2.gz FQJDDCUPGLDWJU-SECBINFHSA-N -1 3 388.819 0.720 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccncc1Cl ZINC001574977034 950110193 /nfs/dbraw/zinc/11/01/93/950110193.db2.gz FQJDDCUPGLDWJU-SECBINFHSA-N -1 3 388.819 0.720 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575895120 950110235 /nfs/dbraw/zinc/11/02/35/950110235.db2.gz HHBDCLNMDFPXKQ-MFKMUULPSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575895120 950110242 /nfs/dbraw/zinc/11/02/42/950110242.db2.gz HHBDCLNMDFPXKQ-MFKMUULPSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)CCOC1 ZINC001575582285 950111357 /nfs/dbraw/zinc/11/13/57/950111357.db2.gz HQVYXUSSDBMHEZ-QGZVFWFLSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCOC1 ZINC001575582285 950111370 /nfs/dbraw/zinc/11/13/70/950111370.db2.gz HQVYXUSSDBMHEZ-QGZVFWFLSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@H](CC(=O)NC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574492991 950111781 /nfs/dbraw/zinc/11/17/81/950111781.db2.gz QCTILDFMZIUQFU-SNVBAGLBSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@H](CC(=O)NC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574492991 950111794 /nfs/dbraw/zinc/11/17/94/950111794.db2.gz QCTILDFMZIUQFU-SNVBAGLBSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575582528 950116897 /nfs/dbraw/zinc/11/68/97/950116897.db2.gz FFWFHGCPFOIWNK-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575582528 950116911 /nfs/dbraw/zinc/11/69/11/950116911.db2.gz FFWFHGCPFOIWNK-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CCC2)CCC(=O)NC1 ZINC001575582566 950119351 /nfs/dbraw/zinc/11/93/51/950119351.db2.gz KCXSLZFXFKVKIK-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CCC2)CCC(=O)NC1 ZINC001575582566 950119365 /nfs/dbraw/zinc/11/93/65/950119365.db2.gz KCXSLZFXFKVKIK-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575896116 950121368 /nfs/dbraw/zinc/12/13/68/950121368.db2.gz KBNVHZPQAQMWHT-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575896116 950121379 /nfs/dbraw/zinc/12/13/79/950121379.db2.gz KBNVHZPQAQMWHT-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574977543 950123541 /nfs/dbraw/zinc/12/35/41/950123541.db2.gz KZLCYFWUNXWCRU-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C2CCC2)nn1 ZINC001574977543 950123556 /nfs/dbraw/zinc/12/35/56/950123556.db2.gz KZLCYFWUNXWCRU-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573839192 950124720 /nfs/dbraw/zinc/12/47/20/950124720.db2.gz OZBNDNPJIVWYND-GFCCVEGCSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573839192 950124730 /nfs/dbraw/zinc/12/47/30/950124730.db2.gz OZBNDNPJIVWYND-GFCCVEGCSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)CCOC1 ZINC001575582702 950125704 /nfs/dbraw/zinc/12/57/04/950125704.db2.gz MDRZPANRRDKSKA-QGZVFWFLSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)CCOC1 ZINC001575582702 950125718 /nfs/dbraw/zinc/12/57/18/950125718.db2.gz MDRZPANRRDKSKA-QGZVFWFLSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574493387 950126457 /nfs/dbraw/zinc/12/64/57/950126457.db2.gz GHBGYFOSIPOQFW-FZMZJTMJSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574493387 950126465 /nfs/dbraw/zinc/12/64/65/950126465.db2.gz GHBGYFOSIPOQFW-FZMZJTMJSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574493388 950127325 /nfs/dbraw/zinc/12/73/25/950127325.db2.gz GHBGYFOSIPOQFW-RISCZKNCSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574493388 950127337 /nfs/dbraw/zinc/12/73/37/950127337.db2.gz GHBGYFOSIPOQFW-RISCZKNCSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576184411 950127495 /nfs/dbraw/zinc/12/74/95/950127495.db2.gz VLZGETVPSBPXEF-AAEUAGOBSA-N -1 3 387.448 0.217 20 0 GCADHM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576184411 950127514 /nfs/dbraw/zinc/12/75/14/950127514.db2.gz VLZGETVPSBPXEF-AAEUAGOBSA-N -1 3 387.448 0.217 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575896296 950128166 /nfs/dbraw/zinc/12/81/66/950128166.db2.gz LWKVKIVKXOZPLV-SKDRFNHKSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575896296 950128176 /nfs/dbraw/zinc/12/81/76/950128176.db2.gz LWKVKIVKXOZPLV-SKDRFNHKSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575896293 950128417 /nfs/dbraw/zinc/12/84/17/950128417.db2.gz LWKVKIVKXOZPLV-JOYOIKCWSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575896293 950128428 /nfs/dbraw/zinc/12/84/28/950128428.db2.gz LWKVKIVKXOZPLV-JOYOIKCWSA-N -1 3 386.395 0.317 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C(=O)NCC1CC1 ZINC001574153141 950129701 /nfs/dbraw/zinc/12/97/01/950129701.db2.gz NWWIKXHRZHGZLU-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C(=O)NCC1CC1 ZINC001574153141 950129716 /nfs/dbraw/zinc/12/97/16/950129716.db2.gz NWWIKXHRZHGZLU-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncnc2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896719 950130662 /nfs/dbraw/zinc/13/06/62/950130662.db2.gz MVHLEWUUZZDPGG-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896719 950130670 /nfs/dbraw/zinc/13/06/70/950130670.db2.gz MVHLEWUUZZDPGG-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574734410 950133274 /nfs/dbraw/zinc/13/32/74/950133274.db2.gz LVKJLJHRFISEPS-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574734410 950133288 /nfs/dbraw/zinc/13/32/88/950133288.db2.gz LVKJLJHRFISEPS-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574153211 950133390 /nfs/dbraw/zinc/13/33/90/950133390.db2.gz PHASYPWFMREHQO-TZMCWYRMSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574153211 950133407 /nfs/dbraw/zinc/13/34/07/950133407.db2.gz PHASYPWFMREHQO-TZMCWYRMSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)CC(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573839720 950134223 /nfs/dbraw/zinc/13/42/23/950134223.db2.gz WEKGKMKJLAYTTQ-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CC(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573839720 950134238 /nfs/dbraw/zinc/13/42/38/950134238.db2.gz WEKGKMKJLAYTTQ-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CC(=O)NCCN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573839877 950135666 /nfs/dbraw/zinc/13/56/66/950135666.db2.gz YKLKTYILZDTTFC-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CC(=O)NCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573839877 950135689 /nfs/dbraw/zinc/13/56/89/950135689.db2.gz YKLKTYILZDTTFC-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM C[C@]1(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575583085 950137760 /nfs/dbraw/zinc/13/77/60/950137760.db2.gz KBMKLUKAMDMYQB-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575583085 950137774 /nfs/dbraw/zinc/13/77/74/950137774.db2.gz KBMKLUKAMDMYQB-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573842367 950139179 /nfs/dbraw/zinc/13/91/79/950139179.db2.gz BGDLEOZOMJMUOV-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573842367 950139190 /nfs/dbraw/zinc/13/91/90/950139190.db2.gz BGDLEOZOMJMUOV-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCn1cncn1 ZINC001574153339 950140247 /nfs/dbraw/zinc/14/02/47/950140247.db2.gz SADFPMCCGDPQIL-CQSZACIVSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCn1cncn1 ZINC001574153339 950140255 /nfs/dbraw/zinc/14/02/55/950140255.db2.gz SADFPMCCGDPQIL-CQSZACIVSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(N)=O ZINC001573842377 950140913 /nfs/dbraw/zinc/14/09/13/950140913.db2.gz BTYVHXCPPDLDHY-GFCCVEGCSA-N -1 3 384.437 0.964 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575583250 950142614 /nfs/dbraw/zinc/14/26/14/950142614.db2.gz KTVHOHQFNRFDDB-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575583250 950142620 /nfs/dbraw/zinc/14/26/20/950142620.db2.gz KTVHOHQFNRFDDB-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574493819 950143206 /nfs/dbraw/zinc/14/32/06/950143206.db2.gz HWXDUMFITHTNJS-YPMHNXCESA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574493819 950143221 /nfs/dbraw/zinc/14/32/21/950143221.db2.gz HWXDUMFITHTNJS-YPMHNXCESA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CN1CCCC1=O ZINC001574153467 950143257 /nfs/dbraw/zinc/14/32/57/950143257.db2.gz SQMLGTXVSFNKGG-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CN1CCCC1=O ZINC001574153467 950143263 /nfs/dbraw/zinc/14/32/63/950143263.db2.gz SQMLGTXVSFNKGG-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574978675 950144330 /nfs/dbraw/zinc/14/43/30/950144330.db2.gz UUWUTUCIXCFIRF-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574978675 950144340 /nfs/dbraw/zinc/14/43/40/950144340.db2.gz UUWUTUCIXCFIRF-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574734832 950144922 /nfs/dbraw/zinc/14/49/22/950144922.db2.gz SGOLGSAIXSOQDV-TWJWRFFLSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574734832 950144941 /nfs/dbraw/zinc/14/49/41/950144941.db2.gz SGOLGSAIXSOQDV-TWJWRFFLSA-N -1 3 387.444 0.572 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@H](C)NC(N)=O ZINC001574153478 950145519 /nfs/dbraw/zinc/14/55/19/950145519.db2.gz SWCPFFXPCLZZTL-WCQYABFASA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@H](C)NC(N)=O ZINC001574153478 950145543 /nfs/dbraw/zinc/14/55/43/950145543.db2.gz SWCPFFXPCLZZTL-WCQYABFASA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccnn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575897695 950146088 /nfs/dbraw/zinc/14/60/88/950146088.db2.gz QFRNXAVTVLZBSD-GWCFXTLKSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccnn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575897695 950146102 /nfs/dbraw/zinc/14/61/02/950146102.db2.gz QFRNXAVTVLZBSD-GWCFXTLKSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575897710 950146463 /nfs/dbraw/zinc/14/64/63/950146463.db2.gz QHWIXHSVKAKSQC-ZWNOBZJWSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575897710 950146474 /nfs/dbraw/zinc/14/64/74/950146474.db2.gz QHWIXHSVKAKSQC-ZWNOBZJWSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnccn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575898127 950149307 /nfs/dbraw/zinc/14/93/07/950149307.db2.gz QLFXGJKPJAIWPW-WDEREUQCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnccn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575898127 950149318 /nfs/dbraw/zinc/14/93/18/950149318.db2.gz QLFXGJKPJAIWPW-WDEREUQCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C=CCC1 ZINC001575583592 950149832 /nfs/dbraw/zinc/14/98/32/950149832.db2.gz STMXZJXAOWLOKJ-MSOLQXFVSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C=CCC1 ZINC001575583592 950149850 /nfs/dbraw/zinc/14/98/50/950149850.db2.gz STMXZJXAOWLOKJ-MSOLQXFVSA-N -1 3 385.428 0.244 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001573842572 950150085 /nfs/dbraw/zinc/15/00/85/950150085.db2.gz HQTMLOBBMLOOPF-GXTWGEPZSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001573842572 950150102 /nfs/dbraw/zinc/15/01/02/950150102.db2.gz HQTMLOBBMLOOPF-GXTWGEPZSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)NC(N)=O ZINC001574494011 950150673 /nfs/dbraw/zinc/15/06/73/950150673.db2.gz WPXHOHVZPSAZBK-ZWNOBZJWSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1ccc(F)cc1 ZINC001574979206 950152886 /nfs/dbraw/zinc/15/28/86/950152886.db2.gz XLACFCDFSKOMKL-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1ccc(F)cc1 ZINC001574979206 950152899 /nfs/dbraw/zinc/15/28/99/950152899.db2.gz XLACFCDFSKOMKL-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc2n1CCCC2 ZINC001574979336 950152926 /nfs/dbraw/zinc/15/29/26/950152926.db2.gz YHNYMCXEHJTJND-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc2n1CCCC2 ZINC001574979336 950152938 /nfs/dbraw/zinc/15/29/38/950152938.db2.gz YHNYMCXEHJTJND-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cc(F)ccc1F ZINC001574979475 950156453 /nfs/dbraw/zinc/15/64/53/950156453.db2.gz ZRIFSHSSDFAAOE-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cc(F)ccc1F ZINC001574979475 950156462 /nfs/dbraw/zinc/15/64/62/950156462.db2.gz ZRIFSHSSDFAAOE-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1c(F)cccc1F ZINC001574979494 950156575 /nfs/dbraw/zinc/15/65/75/950156575.db2.gz ZTPDHGCGOMBNKY-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1c(F)cccc1F ZINC001574979494 950156592 /nfs/dbraw/zinc/15/65/92/950156592.db2.gz ZTPDHGCGOMBNKY-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)CCCOC1 ZINC001575584015 950157908 /nfs/dbraw/zinc/15/79/08/950157908.db2.gz OIITYMNGRHCHAQ-BKEDOTJMSA-N -1 3 383.456 0.877 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)CCCOC1 ZINC001575584015 950157917 /nfs/dbraw/zinc/15/79/17/950157917.db2.gz OIITYMNGRHCHAQ-BKEDOTJMSA-N -1 3 383.456 0.877 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575898550 950158299 /nfs/dbraw/zinc/15/82/99/950158299.db2.gz SXVJFBPZESIBQB-CMPLNLGQSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575898550 950158306 /nfs/dbraw/zinc/15/83/06/950158306.db2.gz SXVJFBPZESIBQB-CMPLNLGQSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)C1(F)CCOCC1 ZINC001574982326 950158514 /nfs/dbraw/zinc/15/85/14/950158514.db2.gz BKCOHGVCXYXXGK-JTQLQIEISA-N -1 3 379.396 0.196 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)C1(F)CCOCC1 ZINC001574982326 950158529 /nfs/dbraw/zinc/15/85/29/950158529.db2.gz BKCOHGVCXYXXGK-JTQLQIEISA-N -1 3 379.396 0.196 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574154045 950160517 /nfs/dbraw/zinc/16/05/17/950160517.db2.gz ZVJZCANAAPPOQK-YPMHNXCESA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574154045 950160531 /nfs/dbraw/zinc/16/05/31/950160531.db2.gz ZVJZCANAAPPOQK-YPMHNXCESA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575898852 950160453 /nfs/dbraw/zinc/16/04/53/950160453.db2.gz VDPWDQOWUGEOCX-ZWNOBZJWSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575898852 950160470 /nfs/dbraw/zinc/16/04/70/950160470.db2.gz VDPWDQOWUGEOCX-ZWNOBZJWSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574982399 950162630 /nfs/dbraw/zinc/16/26/30/950162630.db2.gz BSJLPDCSRMMMMF-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574982399 950162639 /nfs/dbraw/zinc/16/26/39/950162639.db2.gz BSJLPDCSRMMMMF-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1nn(C)cc1Cl ZINC001574982356 950163442 /nfs/dbraw/zinc/16/34/42/950163442.db2.gz BTBDKWXDQGDSAQ-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1nn(C)cc1Cl ZINC001574982356 950163455 /nfs/dbraw/zinc/16/34/55/950163455.db2.gz BTBDKWXDQGDSAQ-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ocnc1C1CC1 ZINC001574738010 950164357 /nfs/dbraw/zinc/16/43/57/950164357.db2.gz AYWDGBJWOYRFJR-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ocnc1C1CC1 ZINC001574738010 950164369 /nfs/dbraw/zinc/16/43/69/950164369.db2.gz AYWDGBJWOYRFJR-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001574982469 950167133 /nfs/dbraw/zinc/16/71/33/950167133.db2.gz CYIBZIQQYNFYBM-BKTMZONDSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001574982469 950167146 /nfs/dbraw/zinc/16/71/46/950167146.db2.gz CYIBZIQQYNFYBM-BKTMZONDSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnc2n1CCCC2 ZINC001574738258 950167586 /nfs/dbraw/zinc/16/75/86/950167586.db2.gz DIFVXNPGKMYSSV-NSHDSACASA-N -1 3 384.448 0.373 20 0 GCADHM CC(C)c1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[nH]n1 ZINC001574738209 950168434 /nfs/dbraw/zinc/16/84/34/950168434.db2.gz COZNDIIWRCRICR-JTQLQIEISA-N -1 3 385.432 0.932 20 0 GCADHM CC(C)c1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[nH]n1 ZINC001574738209 950168451 /nfs/dbraw/zinc/16/84/51/950168451.db2.gz COZNDIIWRCRICR-JTQLQIEISA-N -1 3 385.432 0.932 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576190820 950171662 /nfs/dbraw/zinc/17/16/62/950171662.db2.gz CAHMSWPYEWZISE-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576190820 950171668 /nfs/dbraw/zinc/17/16/68/950171668.db2.gz CAHMSWPYEWZISE-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CC2)CCCS1(=O)=O ZINC001575584589 950174291 /nfs/dbraw/zinc/17/42/91/950174291.db2.gz YEXCGBXGKXIEBT-HNNXBMFYSA-N -1 3 391.457 0.290 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CC2)CCCS1(=O)=O ZINC001575584589 950174306 /nfs/dbraw/zinc/17/43/06/950174306.db2.gz YEXCGBXGKXIEBT-HNNXBMFYSA-N -1 3 391.457 0.290 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1cccc1 ZINC001574494714 950177321 /nfs/dbraw/zinc/17/73/21/950177321.db2.gz NEOCGRNEQOGDEJ-DGCLKSJQSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1cccc1 ZINC001574494714 950177332 /nfs/dbraw/zinc/17/73/32/950177332.db2.gz NEOCGRNEQOGDEJ-DGCLKSJQSA-N -1 3 388.407 0.743 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1nccnc1N ZINC001574154966 950178953 /nfs/dbraw/zinc/17/89/53/950178953.db2.gz HHHAFKBGLIAFMQ-GFCCVEGCSA-N -1 3 382.432 0.891 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1nccnc1N ZINC001574154966 950178968 /nfs/dbraw/zinc/17/89/68/950178968.db2.gz HHHAFKBGLIAFMQ-GFCCVEGCSA-N -1 3 382.432 0.891 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574494731 950180230 /nfs/dbraw/zinc/18/02/30/950180230.db2.gz NJLQONGSGQORII-PWSUYJOCSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574494731 950180245 /nfs/dbraw/zinc/18/02/45/950180245.db2.gz NJLQONGSGQORII-PWSUYJOCSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575584815 950181060 /nfs/dbraw/zinc/18/10/60/950181060.db2.gz TUEZTWIFQPZKNV-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575584815 950181070 /nfs/dbraw/zinc/18/10/70/950181070.db2.gz TUEZTWIFQPZKNV-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573844070 950185083 /nfs/dbraw/zinc/18/50/83/950185083.db2.gz AAUQXGPIBMDCJX-GFCCVEGCSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573844070 950185100 /nfs/dbraw/zinc/18/51/00/950185100.db2.gz AAUQXGPIBMDCJX-GFCCVEGCSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)C1=COCCC1)C1CC1 ZINC001574982877 950187046 /nfs/dbraw/zinc/18/70/46/950187046.db2.gz HPAYSIPURKIJEV-GOSISDBHSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)C1=COCCC1)C1CC1 ZINC001574982877 950187060 /nfs/dbraw/zinc/18/70/60/950187060.db2.gz HPAYSIPURKIJEV-GOSISDBHSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ccc2nccnc2n1 ZINC001574739209 950187142 /nfs/dbraw/zinc/18/71/42/950187142.db2.gz NAULDMDXRSKFAW-JTQLQIEISA-N -1 3 378.400 0.479 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ccc2nccnc2n1 ZINC001574739209 950187159 /nfs/dbraw/zinc/18/71/59/950187159.db2.gz NAULDMDXRSKFAW-JTQLQIEISA-N -1 3 378.400 0.479 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)(C)C ZINC001574494870 950187748 /nfs/dbraw/zinc/18/77/48/950187748.db2.gz PMUNJRHLAGQLSO-VXGBXAGGSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)(C)C ZINC001574494870 950187764 /nfs/dbraw/zinc/18/77/64/950187764.db2.gz PMUNJRHLAGQLSO-VXGBXAGGSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1CCCOCC1 ZINC001574982840 950189296 /nfs/dbraw/zinc/18/92/96/950189296.db2.gz HBSXYCSMTABQCH-NWDGAFQWSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1CCCOCC1 ZINC001574982840 950189308 /nfs/dbraw/zinc/18/93/08/950189308.db2.gz HBSXYCSMTABQCH-NWDGAFQWSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ncc(-c5nnn[n-]5)cc4F)C[C@H]32)CCOC1 ZINC001575585196 950190150 /nfs/dbraw/zinc/19/01/50/950190150.db2.gz XKGZWDSRKHNHPW-JWXAPSBJSA-N -1 3 387.419 0.626 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ncc(-c5nn[n-]n5)cc4F)C[C@H]32)CCOC1 ZINC001575585196 950190162 /nfs/dbraw/zinc/19/01/62/950190162.db2.gz XKGZWDSRKHNHPW-JWXAPSBJSA-N -1 3 387.419 0.626 20 0 GCADHM CC1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001575585187 950190236 /nfs/dbraw/zinc/19/02/36/950190236.db2.gz XDTJQSFGPQJTJC-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001575585187 950190241 /nfs/dbraw/zinc/19/02/41/950190241.db2.gz XDTJQSFGPQJTJC-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCCN1C ZINC001574155461 950190737 /nfs/dbraw/zinc/19/07/37/950190737.db2.gz LPACYMPOLLNASR-ZIAGYGMSSA-N -1 3 387.492 0.506 20 0 GCADHM CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCCN1C ZINC001574155461 950190749 /nfs/dbraw/zinc/19/07/49/950190749.db2.gz LPACYMPOLLNASR-ZIAGYGMSSA-N -1 3 387.492 0.506 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn2c1CCC2 ZINC001574739354 950191471 /nfs/dbraw/zinc/19/14/71/950191471.db2.gz NXERVYKNOQOXNG-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn2c1CCC2 ZINC001574739354 950191487 /nfs/dbraw/zinc/19/14/87/950191487.db2.gz NXERVYKNOQOXNG-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576191321 950191861 /nfs/dbraw/zinc/19/18/61/950191861.db2.gz DUMBFABPDCASMA-JQWIXIFHSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576191321 950191875 /nfs/dbraw/zinc/19/18/75/950191875.db2.gz DUMBFABPDCASMA-JQWIXIFHSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900283 950195489 /nfs/dbraw/zinc/19/54/89/950195489.db2.gz DFBNKLXHBAGJKX-GZMMTYOYSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900283 950195503 /nfs/dbraw/zinc/19/55/03/950195503.db2.gz DFBNKLXHBAGJKX-GZMMTYOYSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575900332 950197841 /nfs/dbraw/zinc/19/78/41/950197841.db2.gz DWTJKOJZGSWYGL-JQWIXIFHSA-N -1 3 387.473 0.840 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1n[nH]c2c1CCC2 ZINC001574739673 950201974 /nfs/dbraw/zinc/20/19/74/950201974.db2.gz VLQCAUXWPBSRDA-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1n[nH]c2c1CCC2 ZINC001574739672 950202413 /nfs/dbraw/zinc/20/24/13/950202413.db2.gz VLQCAUXWPBSRDA-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCc1nnsc1Cl ZINC001574739677 950203105 /nfs/dbraw/zinc/20/31/05/950203105.db2.gz VOXHPYNDFWTEIB-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnsc1Cl ZINC001574739677 950203123 /nfs/dbraw/zinc/20/31/23/950203123.db2.gz VOXHPYNDFWTEIB-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574983244 950209740 /nfs/dbraw/zinc/20/97/40/950209740.db2.gz LAURCIXJIFNSBU-QMMMGPOBSA-N -1 3 391.823 0.609 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574983244 950209756 /nfs/dbraw/zinc/20/97/56/950209756.db2.gz LAURCIXJIFNSBU-QMMMGPOBSA-N -1 3 391.823 0.609 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1c[nH]c(=O)n1C ZINC001574155834 950211329 /nfs/dbraw/zinc/21/13/29/950211329.db2.gz SACQMYWXSQFAKR-LBPRGKRZSA-N -1 3 385.432 0.957 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1c[nH]c(=O)n1C ZINC001574155834 950211341 /nfs/dbraw/zinc/21/13/41/950211341.db2.gz SACQMYWXSQFAKR-LBPRGKRZSA-N -1 3 385.432 0.957 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(F)c(-c3nnn[n-]3)c2)CCNC1=O ZINC001575586400 950211445 /nfs/dbraw/zinc/21/14/45/950211445.db2.gz HDVFSTPVKYMABA-SGTLLEGYSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(F)c(-c3nn[n-]n3)c2)CCNC1=O ZINC001575586400 950211465 /nfs/dbraw/zinc/21/14/65/950211465.db2.gz HDVFSTPVKYMABA-SGTLLEGYSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574739940 950215753 /nfs/dbraw/zinc/21/57/53/950215753.db2.gz ZTHYYYAXKFVLDE-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574739940 950215770 /nfs/dbraw/zinc/21/57/70/950215770.db2.gz ZTHYYYAXKFVLDE-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001574739971 950216088 /nfs/dbraw/zinc/21/60/88/950216088.db2.gz AMCVQZWBKZLEJQ-NWDGAFQWSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001574739971 950216106 /nfs/dbraw/zinc/21/61/06/950216106.db2.gz AMCVQZWBKZLEJQ-NWDGAFQWSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)c1cnn(C)c1 ZINC001574740008 950221628 /nfs/dbraw/zinc/22/16/28/950221628.db2.gz AWQZXTUGDWLMMF-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)c1cnn(C)c1 ZINC001574740008 950221650 /nfs/dbraw/zinc/22/16/50/950221650.db2.gz AWQZXTUGDWLMMF-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cncnc1 ZINC001574983534 950224371 /nfs/dbraw/zinc/22/43/71/950224371.db2.gz PDIVLNFPEFSMMX-WDEREUQCSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cncnc1 ZINC001574983534 950224392 /nfs/dbraw/zinc/22/43/92/950224392.db2.gz PDIVLNFPEFSMMX-WDEREUQCSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001574497104 950225829 /nfs/dbraw/zinc/22/58/29/950225829.db2.gz YYDCQGZQAGZAPV-DGCLKSJQSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001574497104 950225848 /nfs/dbraw/zinc/22/58/48/950225848.db2.gz YYDCQGZQAGZAPV-DGCLKSJQSA-N -1 3 385.407 0.944 20 0 GCADHM CC(C)C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574156158 950228958 /nfs/dbraw/zinc/22/89/58/950228958.db2.gz XWTOTJDKINJWLX-GWCFXTLKSA-N -1 3 390.423 0.630 20 0 GCADHM CC(C)C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574156158 950228978 /nfs/dbraw/zinc/22/89/78/950228978.db2.gz XWTOTJDKINJWLX-GWCFXTLKSA-N -1 3 390.423 0.630 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574983601 950229801 /nfs/dbraw/zinc/22/98/01/950229801.db2.gz QEKUPSFEEDVVJK-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574983601 950229815 /nfs/dbraw/zinc/22/98/15/950229815.db2.gz QEKUPSFEEDVVJK-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@H]1CCCOC1 ZINC001574740779 950232171 /nfs/dbraw/zinc/23/21/71/950232171.db2.gz GJMLMVSIANWTDB-CHWSQXEVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@H]1CCCOC1 ZINC001574740779 950232188 /nfs/dbraw/zinc/23/21/88/950232188.db2.gz GJMLMVSIANWTDB-CHWSQXEVSA-N -1 3 389.460 0.978 20 0 GCADHM CC1(C(=O)NCC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC(F)(F)C1 ZINC001575587214 950233635 /nfs/dbraw/zinc/23/36/35/950233635.db2.gz MFXWFGHDJCRWEQ-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM CC1(C(=O)NCC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC(F)(F)C1 ZINC001575587214 950233653 /nfs/dbraw/zinc/23/36/53/950233653.db2.gz MFXWFGHDJCRWEQ-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H]1CCCCO1 ZINC001574740764 950233824 /nfs/dbraw/zinc/23/38/24/950233824.db2.gz GEESJLLRAFKRFE-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CCCCO1 ZINC001574740764 950233847 /nfs/dbraw/zinc/23/38/47/950233847.db2.gz GEESJLLRAFKRFE-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575587657 950234386 /nfs/dbraw/zinc/23/43/86/950234386.db2.gz NLDXPSQBWZCZGC-KPZWWZAWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575587657 950234414 /nfs/dbraw/zinc/23/44/14/950234414.db2.gz NLDXPSQBWZCZGC-KPZWWZAWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575587306 950236317 /nfs/dbraw/zinc/23/63/17/950236317.db2.gz NKHVWRNQSXNGAX-SGTLLEGYSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575587306 950236344 /nfs/dbraw/zinc/23/63/44/950236344.db2.gz NKHVWRNQSXNGAX-SGTLLEGYSA-N -1 3 384.444 0.121 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573845800 950240835 /nfs/dbraw/zinc/24/08/35/950240835.db2.gz MSBCVPMXBRIWJV-CYZMBNFOSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573845800 950240852 /nfs/dbraw/zinc/24/08/52/950240852.db2.gz MSBCVPMXBRIWJV-CYZMBNFOSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573846206 950246727 /nfs/dbraw/zinc/24/67/27/950246727.db2.gz PBKKESBLGNJUGT-QJPTWQEYSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573846206 950246749 /nfs/dbraw/zinc/24/67/49/950246749.db2.gz PBKKESBLGNJUGT-QJPTWQEYSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574741594 950247959 /nfs/dbraw/zinc/24/79/59/950247959.db2.gz JTWMBCGKOLXOIY-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574741594 950247977 /nfs/dbraw/zinc/24/79/77/950247977.db2.gz JTWMBCGKOLXOIY-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1ccccc1 ZINC001574741561 950251401 /nfs/dbraw/zinc/25/14/01/950251401.db2.gz JFKGKXKHSHPNAN-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1ccccc1 ZINC001574741561 950251418 /nfs/dbraw/zinc/25/14/18/950251418.db2.gz JFKGKXKHSHPNAN-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574984014 950252190 /nfs/dbraw/zinc/25/21/90/950252190.db2.gz VKSFFMHFNBHWRP-SNVBAGLBSA-N -1 3 388.407 0.695 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574984014 950252203 /nfs/dbraw/zinc/25/22/03/950252203.db2.gz VKSFFMHFNBHWRP-SNVBAGLBSA-N -1 3 388.407 0.695 20 0 GCADHM CC(C)(C)CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573846759 950253493 /nfs/dbraw/zinc/25/34/93/950253493.db2.gz VFUOLRXEKOCSAZ-RYUDHWBXSA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)(C)CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573846759 950253512 /nfs/dbraw/zinc/25/35/12/950253512.db2.gz VFUOLRXEKOCSAZ-RYUDHWBXSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575902414 950253590 /nfs/dbraw/zinc/25/35/90/950253590.db2.gz UPBOAZNSIAFUIY-JQWIXIFHSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575902414 950253603 /nfs/dbraw/zinc/25/36/03/950253603.db2.gz UPBOAZNSIAFUIY-JQWIXIFHSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575588822 950253664 /nfs/dbraw/zinc/25/36/64/950253664.db2.gz ULODDHJMLBCSMH-DIFFPNOSSA-N -1 3 375.408 0.770 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575588822 950253677 /nfs/dbraw/zinc/25/36/77/950253677.db2.gz ULODDHJMLBCSMH-DIFFPNOSSA-N -1 3 375.408 0.770 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cc(Cl)no1 ZINC001574984031 950254614 /nfs/dbraw/zinc/25/46/14/950254614.db2.gz VBJPQYDZOALHSH-SSDOTTSWSA-N -1 3 378.780 0.632 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cc(Cl)no1 ZINC001574984031 950254637 /nfs/dbraw/zinc/25/46/37/950254637.db2.gz VBJPQYDZOALHSH-SSDOTTSWSA-N -1 3 378.780 0.632 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575902278 950254846 /nfs/dbraw/zinc/25/48/46/950254846.db2.gz UGRBPLVFTICBMT-DTWKUNHWSA-N -1 3 387.429 0.606 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cnns1)C1CC1 ZINC001574984078 950255934 /nfs/dbraw/zinc/25/59/34/950255934.db2.gz WGRMSMDCFCIERV-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cnns1)C1CC1 ZINC001574984078 950255948 /nfs/dbraw/zinc/25/59/48/950255948.db2.gz WGRMSMDCFCIERV-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cc(Cl)no1 ZINC001574984032 950257597 /nfs/dbraw/zinc/25/75/97/950257597.db2.gz VBJPQYDZOALHSH-ZETCQYMHSA-N -1 3 378.780 0.632 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cc(Cl)no1 ZINC001574984032 950257607 /nfs/dbraw/zinc/25/76/07/950257607.db2.gz VBJPQYDZOALHSH-ZETCQYMHSA-N -1 3 378.780 0.632 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1cccnc1 ZINC001574741989 950258647 /nfs/dbraw/zinc/25/86/47/950258647.db2.gz FJSKBKGEDPGBJH-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1cccnc1 ZINC001574741989 950258669 /nfs/dbraw/zinc/25/86/69/950258669.db2.gz FJSKBKGEDPGBJH-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573849747 950259223 /nfs/dbraw/zinc/25/92/23/950259223.db2.gz ABSPVMOSUUBTGF-LLVKDONJSA-N -1 3 389.464 0.097 20 0 GCADHM C[C@H](CC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 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/nfs/dbraw/zinc/26/38/01/950263801.db2.gz QGYYKDKIRDLMJH-STQMWFEESA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cc(Cl)cn1C ZINC001574984346 950264688 /nfs/dbraw/zinc/26/46/88/950264688.db2.gz XNEBJEOIYHISSH-VIFPVBQESA-N -1 3 390.835 0.983 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cc(Cl)cn1C ZINC001574984346 950264706 /nfs/dbraw/zinc/26/47/06/950264706.db2.gz XNEBJEOIYHISSH-VIFPVBQESA-N -1 3 390.835 0.983 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574742087 950264794 /nfs/dbraw/zinc/26/47/94/950264794.db2.gz LEIIFOQIGXCFSH-SFGNSQDASA-N -1 3 378.824 0.295 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574742087 950264815 /nfs/dbraw/zinc/26/48/15/950264815.db2.gz LEIIFOQIGXCFSH-SFGNSQDASA-N -1 3 378.824 0.295 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001574498201 950264950 /nfs/dbraw/zinc/26/49/50/950264950.db2.gz LDYNDCGHFMTWGK-PWSUYJOCSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001574498201 950264971 /nfs/dbraw/zinc/26/49/71/950264971.db2.gz LDYNDCGHFMTWGK-PWSUYJOCSA-N -1 3 389.395 0.138 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001573849863 950265080 /nfs/dbraw/zinc/26/50/80/950265080.db2.gz DEHDDVXIJRNSIO-UHFFFAOYSA-N -1 3 381.462 0.565 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001573849863 950265103 /nfs/dbraw/zinc/26/51/03/950265103.db2.gz DEHDDVXIJRNSIO-UHFFFAOYSA-N -1 3 381.462 0.565 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)C1CCOCC1)C1CC1 ZINC001574984347 950265332 /nfs/dbraw/zinc/26/53/32/950265332.db2.gz XOBXQOUCUSFCCD-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)C1CCOCC1)C1CC1 ZINC001574984347 950265354 /nfs/dbraw/zinc/26/53/54/950265354.db2.gz XOBXQOUCUSFCCD-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM 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950295497 /nfs/dbraw/zinc/29/54/97/950295497.db2.gz ZPNAGMLSTCDBFH-UHFFFAOYSA-N -1 3 389.464 0.050 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573851547 950295513 /nfs/dbraw/zinc/29/55/13/950295513.db2.gz ZPNAGMLSTCDBFH-UHFFFAOYSA-N -1 3 389.464 0.050 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cnccn1 ZINC001574987664 950296596 /nfs/dbraw/zinc/29/65/96/950296596.db2.gz GZDBONINJBGJOA-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cnccn1 ZINC001574987664 950296616 /nfs/dbraw/zinc/29/66/16/950296616.db2.gz GZDBONINJBGJOA-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576193398 950296701 /nfs/dbraw/zinc/29/67/01/950296701.db2.gz UKFSBFMILBGGCV-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576193398 950296711 /nfs/dbraw/zinc/29/67/11/950296711.db2.gz 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VEAFIVIZGGTMER-MWLCHTKSSA-N -1 3 387.379 0.994 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573852906 950310745 /nfs/dbraw/zinc/31/07/45/950310745.db2.gz KXPPUNXEUFQZNA-MRXNPFEDSA-N -1 3 377.405 0.297 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573852906 950310760 /nfs/dbraw/zinc/31/07/60/950310760.db2.gz KXPPUNXEUFQZNA-MRXNPFEDSA-N -1 3 377.405 0.297 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574501099 950316631 /nfs/dbraw/zinc/31/66/31/950316631.db2.gz BHHOSHGKNVFLIX-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574501099 950316663 /nfs/dbraw/zinc/31/66/63/950316663.db2.gz BHHOSHGKNVFLIX-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574501072 950317616 /nfs/dbraw/zinc/31/76/16/950317616.db2.gz AWBAUWCIDHKCAD-YPMHNXCESA-N -1 3 383.416 0.373 20 0 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ZINC001575593524 950318180 /nfs/dbraw/zinc/31/81/80/950318180.db2.gz HDDSVDDTCJOFGQ-LBPRGKRZSA-N -1 3 375.408 0.912 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCCO2)CC1 ZINC001575593524 950318205 /nfs/dbraw/zinc/31/82/05/950318205.db2.gz HDDSVDDTCJOFGQ-LBPRGKRZSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001574988198 950322237 /nfs/dbraw/zinc/32/22/37/950322237.db2.gz OIKUENUABJAYLO-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001574988198 950322259 /nfs/dbraw/zinc/32/22/59/950322259.db2.gz OIKUENUABJAYLO-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)c1cccnc1 ZINC001574743423 950322763 /nfs/dbraw/zinc/32/27/63/950322763.db2.gz SPKVEKVIKVWBHQ-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)c1cccnc1 ZINC001574743423 950322782 /nfs/dbraw/zinc/32/27/82/950322782.db2.gz SPKVEKVIKVWBHQ-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCCCCC1 ZINC001574988159 950322683 /nfs/dbraw/zinc/32/26/83/950322683.db2.gz NKSSXYJKEBSPLX-CYBMUJFWSA-N -1 3 388.476 0.648 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)N1CCCCCC1 ZINC001574988159 950322708 /nfs/dbraw/zinc/32/27/08/950322708.db2.gz NKSSXYJKEBSPLX-CYBMUJFWSA-N -1 3 388.476 0.648 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2c2ncccc2-c2nnn[n-]2)CCOCC1 ZINC001575593975 950324047 /nfs/dbraw/zinc/32/40/47/950324047.db2.gz IQKJRTHRGKEOIW-ZDUSSCGKSA-N -1 3 387.444 0.400 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2c2ncccc2-c2nn[n-]n2)CCOCC1 ZINC001575593975 950324068 /nfs/dbraw/zinc/32/40/68/950324068.db2.gz IQKJRTHRGKEOIW-ZDUSSCGKSA-N -1 3 387.444 0.400 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)ccn2)[C@H](O)C1 ZINC001573853502 950325252 /nfs/dbraw/zinc/32/52/52/950325252.db2.gz QKJBDJSNZAAPKT-DGCLKSJQSA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)ccn2)[C@H](O)C1 ZINC001573853502 950325272 /nfs/dbraw/zinc/32/52/72/950325272.db2.gz QKJBDJSNZAAPKT-DGCLKSJQSA-N -1 3 389.416 0.362 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H](C)n1ccnc1 ZINC001574743612 950327091 /nfs/dbraw/zinc/32/70/91/950327091.db2.gz UASALPBWYKUGHN-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H](C)n1ccnc1 ZINC001574743612 950327112 /nfs/dbraw/zinc/32/71/12/950327112.db2.gz UASALPBWYKUGHN-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001574988402 950329702 /nfs/dbraw/zinc/32/97/02/950329702.db2.gz QVSNLDNHWKYWGN-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001574988402 950329722 /nfs/dbraw/zinc/32/97/22/950329722.db2.gz QVSNLDNHWKYWGN-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574501318 950331451 /nfs/dbraw/zinc/33/14/51/950331451.db2.gz CYCSRXQAUPZNMK-JQWIXIFHSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574501318 950331471 /nfs/dbraw/zinc/33/14/71/950331471.db2.gz CYCSRXQAUPZNMK-JQWIXIFHSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cnccn1 ZINC001574743701 950331771 /nfs/dbraw/zinc/33/17/71/950331771.db2.gz VNSFVSHSBFMUBV-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cnccn1 ZINC001574743701 950331793 /nfs/dbraw/zinc/33/17/93/950331793.db2.gz VNSFVSHSBFMUBV-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)CNc2nnccc2-c2nnn[n-]2)CC1 ZINC001573853994 950334807 /nfs/dbraw/zinc/33/48/07/950334807.db2.gz WBQLTFBFXIJKPM-UHFFFAOYSA-N -1 3 389.420 0.148 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)CNc2nnccc2-c2nn[n-]n2)CC1 ZINC001573853994 950334828 /nfs/dbraw/zinc/33/48/28/950334828.db2.gz WBQLTFBFXIJKPM-UHFFFAOYSA-N -1 3 389.420 0.148 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574743720 950335695 /nfs/dbraw/zinc/33/56/95/950335695.db2.gz VMKXPGJGGGBKPK-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574743720 950335716 /nfs/dbraw/zinc/33/57/16/950335716.db2.gz VMKXPGJGGGBKPK-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574501627 950337160 /nfs/dbraw/zinc/33/71/60/950337160.db2.gz FLCYTLNGUVPRKZ-NHYWBVRUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574501627 950337180 /nfs/dbraw/zinc/33/71/80/950337180.db2.gz FLCYTLNGUVPRKZ-NHYWBVRUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001574988489 950340785 /nfs/dbraw/zinc/34/07/85/950340785.db2.gz RXYBLVOVXHRDCZ-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001574988489 950340806 /nfs/dbraw/zinc/34/08/06/950340806.db2.gz RXYBLVOVXHRDCZ-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001575594741 950340843 /nfs/dbraw/zinc/34/08/43/950340843.db2.gz MBCPJJLEFQVTFR-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001575594741 950340861 /nfs/dbraw/zinc/34/08/61/950340861.db2.gz MBCPJJLEFQVTFR-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1nccs1 ZINC001574744127 950342552 /nfs/dbraw/zinc/34/25/52/950342552.db2.gz XEUBQILQAHUJFE-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1nccs1 ZINC001574744127 950342562 /nfs/dbraw/zinc/34/25/62/950342562.db2.gz XEUBQILQAHUJFE-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001574988769 950345632 /nfs/dbraw/zinc/34/56/32/950345632.db2.gz UTVRQKJHDLRDHO-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001574988769 950345655 /nfs/dbraw/zinc/34/56/55/950345655.db2.gz UTVRQKJHDLRDHO-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)Nc1ccccc1 ZINC001574988943 950350792 /nfs/dbraw/zinc/35/07/92/950350792.db2.gz WSIBILSTTULCKS-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)Nc1ccccc1 ZINC001574988943 950350812 /nfs/dbraw/zinc/35/08/12/950350812.db2.gz WSIBILSTTULCKS-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H](C)CC(N)=O ZINC001574160972 950352284 /nfs/dbraw/zinc/35/22/84/950352284.db2.gz RXFRDAXCBVCRJJ-JQWIXIFHSA-N -1 3 392.439 0.855 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H](C)CC(N)=O ZINC001574160972 950352303 /nfs/dbraw/zinc/35/23/03/950352303.db2.gz RXFRDAXCBVCRJJ-JQWIXIFHSA-N -1 3 392.439 0.855 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574744460 950353095 /nfs/dbraw/zinc/35/30/95/950353095.db2.gz YRDSMUWOEPIGBV-WCQYABFASA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574744460 950353118 /nfs/dbraw/zinc/35/31/18/950353118.db2.gz YRDSMUWOEPIGBV-WCQYABFASA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCOCC1 ZINC001575908206 950357176 /nfs/dbraw/zinc/35/71/76/950357176.db2.gz AYRJDJWOBQWRDX-HIFRSBDPSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574502110 950358412 /nfs/dbraw/zinc/35/84/12/950358412.db2.gz JDJLKRYGLBVUES-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574502110 950358431 /nfs/dbraw/zinc/35/84/31/950358431.db2.gz JDJLKRYGLBVUES-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]nc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574744539 950358488 /nfs/dbraw/zinc/35/84/88/950358488.db2.gz ZXBBSDOSSKCRHF-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]nc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574744539 950358503 /nfs/dbraw/zinc/35/85/03/950358503.db2.gz ZXBBSDOSSKCRHF-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574989418 950360571 /nfs/dbraw/zinc/36/05/71/950360571.db2.gz ZCWGBKKPIVBLGE-RAIGVLPGSA-N -1 3 397.443 0.309 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574989418 950360587 /nfs/dbraw/zinc/36/05/87/950360587.db2.gz ZCWGBKKPIVBLGE-RAIGVLPGSA-N -1 3 397.443 0.309 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001573855200 950361597 /nfs/dbraw/zinc/36/15/97/950361597.db2.gz LIIKNNAJYGLIEH-FZMZJTMJSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nc(C2CC2)nn1C ZINC001574744758 950361656 /nfs/dbraw/zinc/36/16/56/950361656.db2.gz ARPJVRDUYDEASY-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nc(C2CC2)nn1C ZINC001574744758 950361676 /nfs/dbraw/zinc/36/16/76/950361676.db2.gz ARPJVRDUYDEASY-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCNC(N)=O ZINC001574161487 950364461 /nfs/dbraw/zinc/36/44/61/950364461.db2.gz VDKJMOKWQFGJFX-NSHDSACASA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCNC(N)=O ZINC001574161487 950364482 /nfs/dbraw/zinc/36/44/82/950364482.db2.gz VDKJMOKWQFGJFX-NSHDSACASA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)(C)NC(=O)CN1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573855220 950364714 /nfs/dbraw/zinc/36/47/14/950364714.db2.gz MCDWGUIBUWAVPV-ZDUSSCGKSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@H](CC(=O)NCC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574502220 950365007 /nfs/dbraw/zinc/36/50/07/950365007.db2.gz KOJVGXLIJUBGJR-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NCC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574502220 950365023 /nfs/dbraw/zinc/36/50/23/950365023.db2.gz KOJVGXLIJUBGJR-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1c(Cl)cnn1C ZINC001574989503 950368686 /nfs/dbraw/zinc/36/86/86/950368686.db2.gz ZXTVPAFMQSMEGL-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1c(Cl)cnn1C ZINC001574989503 950368706 /nfs/dbraw/zinc/36/87/06/950368706.db2.gz ZXTVPAFMQSMEGL-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574990427 950372224 /nfs/dbraw/zinc/37/22/24/950372224.db2.gz BYNGWQOBKGGEQY-ZYHUDNBSSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574990427 950372242 /nfs/dbraw/zinc/37/22/42/950372242.db2.gz BYNGWQOBKGGEQY-ZYHUDNBSSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574162074 950372086 /nfs/dbraw/zinc/37/20/86/950372086.db2.gz YUMOMPSIZSXNRT-CHWSQXEVSA-N -1 3 386.460 0.683 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574162074 950372106 /nfs/dbraw/zinc/37/21/06/950372106.db2.gz YUMOMPSIZSXNRT-CHWSQXEVSA-N -1 3 386.460 0.683 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574990394 950374266 /nfs/dbraw/zinc/37/42/66/950374266.db2.gz BFMKLCZACIXMNB-PWSUYJOCSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574990394 950374285 /nfs/dbraw/zinc/37/42/85/950374285.db2.gz BFMKLCZACIXMNB-PWSUYJOCSA-N -1 3 380.412 0.239 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001575596727 950384324 /nfs/dbraw/zinc/38/43/24/950384324.db2.gz VIEJLVZAQGZODP-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001575596727 950384340 /nfs/dbraw/zinc/38/43/40/950384340.db2.gz VIEJLVZAQGZODP-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574502503 950384437 /nfs/dbraw/zinc/38/44/37/950384437.db2.gz OKOBOEKFZFMJPK-AAEUAGOBSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574502503 950384454 /nfs/dbraw/zinc/38/44/54/950384454.db2.gz OKOBOEKFZFMJPK-AAEUAGOBSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574502644 950385955 /nfs/dbraw/zinc/38/59/55/950385955.db2.gz OZSAZKNZDFHGNT-NSHDSACASA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574502644 950385973 /nfs/dbraw/zinc/38/59/73/950385973.db2.gz OZSAZKNZDFHGNT-NSHDSACASA-N -1 3 387.448 0.041 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CCCO2)CCOC1 ZINC001575596881 950388706 /nfs/dbraw/zinc/38/87/06/950388706.db2.gz VVDZBBPVSJDLQM-ACJLOTCBSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CCCO2)CCOC1 ZINC001575596881 950388722 /nfs/dbraw/zinc/38/87/22/950388722.db2.gz VVDZBBPVSJDLQM-ACJLOTCBSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574502713 950390027 /nfs/dbraw/zinc/39/00/27/950390027.db2.gz QQVPIUHEDOLAFM-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574502713 950390045 /nfs/dbraw/zinc/39/00/45/950390045.db2.gz QQVPIUHEDOLAFM-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F)NC(N)=O ZINC001574502671 950390690 /nfs/dbraw/zinc/39/06/90/950390690.db2.gz PMLVPTGDVKOPNT-GWCFXTLKSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H]1[C@@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575909225 950391014 /nfs/dbraw/zinc/39/10/14/950391014.db2.gz GEYLDSSJUQCXKT-KOLCDFICSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@@H]1[C@@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575909225 950391027 /nfs/dbraw/zinc/39/10/27/950391027.db2.gz GEYLDSSJUQCXKT-KOLCDFICSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574745852 950391131 /nfs/dbraw/zinc/39/11/31/950391131.db2.gz LCBPWQOEMLQKLA-NSHDSACASA-N -1 3 385.432 0.884 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574745852 950391153 /nfs/dbraw/zinc/39/11/53/950391153.db2.gz LCBPWQOEMLQKLA-NSHDSACASA-N -1 3 385.432 0.884 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCCN1c1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574502696 950392039 /nfs/dbraw/zinc/39/20/39/950392039.db2.gz QIDACVFLIGIGTG-VXGBXAGGSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCCN1c1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574502696 950392058 /nfs/dbraw/zinc/39/20/58/950392058.db2.gz QIDACVFLIGIGTG-VXGBXAGGSA-N -1 3 387.448 0.184 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001573856750 950392867 /nfs/dbraw/zinc/39/28/67/950392867.db2.gz HLXHQBIWWWZTLY-SECBINFHSA-N -1 3 390.404 0.541 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001573856750 950392888 /nfs/dbraw/zinc/39/28/88/950392888.db2.gz HLXHQBIWWWZTLY-SECBINFHSA-N -1 3 390.404 0.541 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)CCCOC1 ZINC001575596982 950393831 /nfs/dbraw/zinc/39/38/31/950393831.db2.gz WPWIWYJUHZQQLO-ACJLOTCBSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)CCCOC1 ZINC001575596982 950393851 /nfs/dbraw/zinc/39/38/51/950393851.db2.gz WPWIWYJUHZQQLO-ACJLOTCBSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574746369 950394580 /nfs/dbraw/zinc/39/45/80/950394580.db2.gz OANANBREOGWVQS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574746369 950394601 /nfs/dbraw/zinc/39/46/01/950394601.db2.gz OANANBREOGWVQS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CC(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)NC(N)=O ZINC001574503020 950394646 /nfs/dbraw/zinc/39/46/46/950394646.db2.gz SFBYJKOGUPXGLM-SNVBAGLBSA-N -1 3 390.423 0.001 20 0 GCADHM C[C@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)NC(N)=O ZINC001574503020 950394664 /nfs/dbraw/zinc/39/46/64/950394664.db2.gz SFBYJKOGUPXGLM-SNVBAGLBSA-N -1 3 390.423 0.001 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574746716 950396975 /nfs/dbraw/zinc/39/69/75/950396975.db2.gz ONBRKTMMZABBPJ-SNVBAGLBSA-N -1 3 386.420 0.279 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573857044 950397160 /nfs/dbraw/zinc/39/71/60/950397160.db2.gz LUJDNQHEIUFWAO-KRWDZBQOSA-N -1 3 391.432 0.951 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573857044 950397182 /nfs/dbraw/zinc/39/71/82/950397182.db2.gz LUJDNQHEIUFWAO-KRWDZBQOSA-N -1 3 391.432 0.951 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575597101 950397400 /nfs/dbraw/zinc/39/74/00/950397400.db2.gz LSASTKFNSJQHPG-SUFBMKPHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575597101 950397425 /nfs/dbraw/zinc/39/74/25/950397425.db2.gz LSASTKFNSJQHPG-SUFBMKPHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575597098 950398159 /nfs/dbraw/zinc/39/81/59/950398159.db2.gz LSASTKFNSJQHPG-FNFWKMNBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575597098 950398177 /nfs/dbraw/zinc/39/81/77/950398177.db2.gz LSASTKFNSJQHPG-FNFWKMNBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574991342 950400411 /nfs/dbraw/zinc/40/04/11/950400411.db2.gz KMAATGOCMFFSAQ-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574991342 950400432 /nfs/dbraw/zinc/40/04/32/950400432.db2.gz KMAATGOCMFFSAQ-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574991341 950400838 /nfs/dbraw/zinc/40/08/38/950400838.db2.gz KMAATGOCMFFSAQ-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574991341 950400850 /nfs/dbraw/zinc/40/08/50/950400850.db2.gz KMAATGOCMFFSAQ-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573857132 950402551 /nfs/dbraw/zinc/40/25/51/950402551.db2.gz PCWHREFCJGLVAS-CMPLNLGQSA-N -1 3 377.405 0.152 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573857132 950402566 /nfs/dbraw/zinc/40/25/66/950402566.db2.gz PCWHREFCJGLVAS-CMPLNLGQSA-N -1 3 377.405 0.152 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cscc2-c2nnn[n-]2)C1 ZINC001573857489 950404682 /nfs/dbraw/zinc/40/46/82/950404682.db2.gz RQXVOQFCRYYBOC-JOYOIKCWSA-N -1 3 394.457 0.886 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cscc2-c2nn[n-]n2)C1 ZINC001573857489 950404696 /nfs/dbraw/zinc/40/46/96/950404696.db2.gz RQXVOQFCRYYBOC-JOYOIKCWSA-N -1 3 394.457 0.886 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573857393 950405244 /nfs/dbraw/zinc/40/52/44/950405244.db2.gz QEKVTPLTOJQCND-JOYOIKCWSA-N -1 3 377.405 0.152 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573857393 950405260 /nfs/dbraw/zinc/40/52/60/950405260.db2.gz QEKVTPLTOJQCND-JOYOIKCWSA-N -1 3 377.405 0.152 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CO1 ZINC001573857512 950408030 /nfs/dbraw/zinc/40/80/30/950408030.db2.gz TXCFTPMWHPHVBK-SNVBAGLBSA-N -1 3 396.429 0.696 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CO1 ZINC001573857512 950408049 /nfs/dbraw/zinc/40/80/49/950408049.db2.gz TXCFTPMWHPHVBK-SNVBAGLBSA-N -1 3 396.429 0.696 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001574991534 950409283 /nfs/dbraw/zinc/40/92/83/950409283.db2.gz NREKYFPXOJIBNU-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001574991534 950409298 /nfs/dbraw/zinc/40/92/98/950409298.db2.gz NREKYFPXOJIBNU-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575597253 950409400 /nfs/dbraw/zinc/40/94/00/950409400.db2.gz MQWVUEKGPSXKQF-SRBZOADZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575597253 950409412 /nfs/dbraw/zinc/40/94/12/950409412.db2.gz MQWVUEKGPSXKQF-SRBZOADZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574747559 950409964 /nfs/dbraw/zinc/40/99/64/950409964.db2.gz UDXGABVYLDRNCK-MRVPVSSYSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574747559 950409980 /nfs/dbraw/zinc/40/99/80/950409980.db2.gz UDXGABVYLDRNCK-MRVPVSSYSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ocnc1C1CC1 ZINC001574747483 950410563 /nfs/dbraw/zinc/41/05/63/950410563.db2.gz SVFSNJLWKROLLW-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ocnc1C1CC1 ZINC001574747483 950410578 /nfs/dbraw/zinc/41/05/78/950410578.db2.gz SVFSNJLWKROLLW-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575597451 950411563 /nfs/dbraw/zinc/41/15/63/950411563.db2.gz PYQABDXZTCXIEU-SUFBMKPHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575597451 950411566 /nfs/dbraw/zinc/41/15/66/950411566.db2.gz PYQABDXZTCXIEU-SUFBMKPHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575910130 950412056 /nfs/dbraw/zinc/41/20/56/950412056.db2.gz KAZVEVGZSBFYOC-ONGXEEELSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575910130 950412066 /nfs/dbraw/zinc/41/20/66/950412066.db2.gz KAZVEVGZSBFYOC-ONGXEEELSA-N -1 3 386.420 0.037 20 0 GCADHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2nnccc2-c2nnn[n-]2)C1 ZINC001573860036 950411983 /nfs/dbraw/zinc/41/19/83/950411983.db2.gz AWIMEHAFLWNPRW-MRXNPFEDSA-N -1 3 376.421 0.513 20 0 GCADHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2nnccc2-c2nn[n-]n2)C1 ZINC001573860036 950411991 /nfs/dbraw/zinc/41/19/91/950411991.db2.gz AWIMEHAFLWNPRW-MRXNPFEDSA-N -1 3 376.421 0.513 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574503469 950413311 /nfs/dbraw/zinc/41/33/11/950413311.db2.gz WYMBWJKNJIWHMJ-CMPLNLGQSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(N)=O ZINC001574503469 950413323 /nfs/dbraw/zinc/41/33/23/950413323.db2.gz WYMBWJKNJIWHMJ-CMPLNLGQSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001574503505 950414283 /nfs/dbraw/zinc/41/42/83/950414283.db2.gz XOGZPGKSJGWOCD-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001574503505 950414295 /nfs/dbraw/zinc/41/42/95/950414295.db2.gz XOGZPGKSJGWOCD-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1cc(Cl)c(=O)[nH]n1 ZINC001574747800 950415911 /nfs/dbraw/zinc/41/59/11/950415911.db2.gz XUZJCPHFZFALBD-SSDOTTSWSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1cc(Cl)c(=O)[nH]n1 ZINC001574747800 950415927 /nfs/dbraw/zinc/41/59/27/950415927.db2.gz XUZJCPHFZFALBD-SSDOTTSWSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1noc2c1COCC2 ZINC001574747765 950416449 /nfs/dbraw/zinc/41/64/49/950416449.db2.gz WYXGTXQGOXWCEV-SNVBAGLBSA-N -1 3 386.416 0.506 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1noc2c1COCC2 ZINC001574747765 950416459 /nfs/dbraw/zinc/41/64/59/950416459.db2.gz WYXGTXQGOXWCEV-SNVBAGLBSA-N -1 3 386.416 0.506 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CC1 ZINC001574503942 950417743 /nfs/dbraw/zinc/41/77/43/950417743.db2.gz YYAOXRIYUIAREJ-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CC1 ZINC001574503942 950417756 /nfs/dbraw/zinc/41/77/56/950417756.db2.gz YYAOXRIYUIAREJ-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575597856 950418257 /nfs/dbraw/zinc/41/82/57/950418257.db2.gz XWXIPFSQMZRALD-PZROIBLQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575597856 950418270 /nfs/dbraw/zinc/41/82/70/950418270.db2.gz XWXIPFSQMZRALD-PZROIBLQSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)c1c[nH]c(=O)n1C ZINC001574163141 950418586 /nfs/dbraw/zinc/41/85/86/950418586.db2.gz QAIWRAFTXQTZPC-LLVKDONJSA-N -1 3 385.432 0.957 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)c1c[nH]c(=O)n1C ZINC001574163141 950418603 /nfs/dbraw/zinc/41/86/03/950418603.db2.gz QAIWRAFTXQTZPC-LLVKDONJSA-N -1 3 385.432 0.957 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575597704 950420505 /nfs/dbraw/zinc/42/05/05/950420505.db2.gz WFKWBAGCDOLQFF-WHWRDJHUSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575597704 950420526 /nfs/dbraw/zinc/42/05/26/950420526.db2.gz WFKWBAGCDOLQFF-WHWRDJHUSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001573860367 950423524 /nfs/dbraw/zinc/42/35/24/950423524.db2.gz HRITUVVAIBFVDL-GFCCVEGCSA-N -1 3 377.405 0.154 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001573860367 950423542 /nfs/dbraw/zinc/42/35/42/950423542.db2.gz HRITUVVAIBFVDL-GFCCVEGCSA-N -1 3 377.405 0.154 20 0 GCADHM C[C@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575910611 950424005 /nfs/dbraw/zinc/42/40/05/950424005.db2.gz MFOTYZBNQFAIAN-ONGXEEELSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575910611 950424026 /nfs/dbraw/zinc/42/40/26/950424026.db2.gz MFOTYZBNQFAIAN-ONGXEEELSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575910610 950426485 /nfs/dbraw/zinc/42/64/85/950426485.db2.gz MFOTYZBNQFAIAN-MWLCHTKSSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575910610 950426506 /nfs/dbraw/zinc/42/65/06/950426506.db2.gz MFOTYZBNQFAIAN-MWLCHTKSSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCCn1ccnc1 ZINC001575910716 950430057 /nfs/dbraw/zinc/43/00/57/950430057.db2.gz BGAANBSGSQDFBI-OLZOCXBDSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CCCn1ccnc1 ZINC001575910716 950430067 /nfs/dbraw/zinc/43/00/67/950430067.db2.gz BGAANBSGSQDFBI-OLZOCXBDSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575911098 950434230 /nfs/dbraw/zinc/43/42/30/950434230.db2.gz DBJYABLSYNBAJX-KOLCDFICSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575911098 950434241 /nfs/dbraw/zinc/43/42/41/950434241.db2.gz DBJYABLSYNBAJX-KOLCDFICSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575911097 950435046 /nfs/dbraw/zinc/43/50/46/950435046.db2.gz DBJYABLSYNBAJX-GXSJLCMTSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575911097 950435057 /nfs/dbraw/zinc/43/50/57/950435057.db2.gz DBJYABLSYNBAJX-GXSJLCMTSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001574992155 950435271 /nfs/dbraw/zinc/43/52/71/950435271.db2.gz XWXCCRIFTSYSTK-KOLCDFICSA-N -1 3 383.416 0.273 20 0 GCADHM CC1(C(=O)NCc2nc(CNc3ccc(-c4nnn[n-]4)nn3)cc(=O)[nH]2)CC1 ZINC001575600162 950438180 /nfs/dbraw/zinc/43/81/80/950438180.db2.gz TWMMJDQBTRDMQT-UHFFFAOYSA-N -1 3 382.388 0.181 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@]1(C)CCCOC1 ZINC001574750721 950438714 /nfs/dbraw/zinc/43/87/14/950438714.db2.gz GOIQLRCGRJDNLQ-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@]1(C)CCCOC1 ZINC001574750721 950438737 /nfs/dbraw/zinc/43/87/37/950438737.db2.gz GOIQLRCGRJDNLQ-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCC(=O)NC1 ZINC001575600503 950440115 /nfs/dbraw/zinc/44/01/15/950440115.db2.gz ZPFMAXLCFLVECC-DIFFPNOSSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1csc(Cl)n1 ZINC001574992348 950441007 /nfs/dbraw/zinc/44/10/07/950441007.db2.gz AJPIIXHDDNIDBI-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1csc(Cl)n1 ZINC001574992348 950441018 /nfs/dbraw/zinc/44/10/18/950441018.db2.gz AJPIIXHDDNIDBI-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001574506817 950445797 /nfs/dbraw/zinc/44/57/97/950445797.db2.gz GKQUFDJGHHLVTD-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001574506817 950445812 /nfs/dbraw/zinc/44/58/12/950445812.db2.gz GKQUFDJGHHLVTD-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)n2ncc(-c3nnn[n-]3)c2N)C1 ZINC001573861329 950446422 /nfs/dbraw/zinc/44/64/22/950446422.db2.gz YOXMEWSDDSGHLN-XXFAHNHDSA-N -1 3 392.420 0.748 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@@H]2O)CCOC1 ZINC001575604945 950449150 /nfs/dbraw/zinc/44/91/50/950449150.db2.gz HCJHVTKXOOOKNA-BTJLNZGRSA-N -1 3 376.392 0.098 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@@H]2O)CCOC1 ZINC001575604945 950449162 /nfs/dbraw/zinc/44/91/62/950449162.db2.gz HCJHVTKXOOOKNA-BTJLNZGRSA-N -1 3 376.392 0.098 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)c1cncnc1 ZINC001574751003 950449247 /nfs/dbraw/zinc/44/92/47/950449247.db2.gz KBUSCNRZXLVLON-MNOVXSKESA-N -1 3 383.416 0.365 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)c1cncnc1 ZINC001574751003 950449262 /nfs/dbraw/zinc/44/92/62/950449262.db2.gz KBUSCNRZXLVLON-MNOVXSKESA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(Cl)no1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574750878 950449966 /nfs/dbraw/zinc/44/99/66/950449966.db2.gz IJTZNJHPDFXPBS-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(Cl)no1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574750878 950449979 /nfs/dbraw/zinc/44/99/79/950449979.db2.gz IJTZNJHPDFXPBS-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(Cl)cn1C ZINC001574992458 950450817 /nfs/dbraw/zinc/45/08/17/950450817.db2.gz CUKJCXGKPFBJRB-QMMMGPOBSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(Cl)cn1C ZINC001574992458 950450835 /nfs/dbraw/zinc/45/08/35/950450835.db2.gz CUKJCXGKPFBJRB-QMMMGPOBSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575911728 950452016 /nfs/dbraw/zinc/45/20/16/950452016.db2.gz PMUFQYBOZXBDLL-TZMCWYRMSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575911728 950452024 /nfs/dbraw/zinc/45/20/24/950452024.db2.gz PMUFQYBOZXBDLL-TZMCWYRMSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574751033 950452130 /nfs/dbraw/zinc/45/21/30/950452130.db2.gz KFWUQJXSUUQNLH-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574751033 950452141 /nfs/dbraw/zinc/45/21/41/950452141.db2.gz KFWUQJXSUUQNLH-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575911723 950452616 /nfs/dbraw/zinc/45/26/16/950452616.db2.gz PMUFQYBOZXBDLL-JSGCOSHPSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575911723 950452630 /nfs/dbraw/zinc/45/26/30/950452630.db2.gz PMUFQYBOZXBDLL-JSGCOSHPSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574751034 950452910 /nfs/dbraw/zinc/45/29/10/950452910.db2.gz KFWUQJXSUUQNLH-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574751034 950452917 /nfs/dbraw/zinc/45/29/17/950452917.db2.gz KFWUQJXSUUQNLH-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM CC(C)C[C@]1(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)cn2)CCNC1=O ZINC001574165819 950454520 /nfs/dbraw/zinc/45/45/20/950454520.db2.gz JGVNNKDITSWUCR-GOSISDBHSA-N -1 3 386.460 0.367 20 0 GCADHM CC(C)C[C@]1(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)cn2)CCNC1=O ZINC001574165819 950454530 /nfs/dbraw/zinc/45/45/30/950454530.db2.gz JGVNNKDITSWUCR-GOSISDBHSA-N -1 3 386.460 0.367 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1snnc1C1CC1 ZINC001574992715 950457525 /nfs/dbraw/zinc/45/75/25/950457525.db2.gz HOHJZRWOMIXIGZ-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1snnc1C1CC1 ZINC001574992715 950457537 /nfs/dbraw/zinc/45/75/37/950457537.db2.gz HOHJZRWOMIXIGZ-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@H](CNC(=O)C[C@@H](C)c1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574507606 950459065 /nfs/dbraw/zinc/45/90/65/950459065.db2.gz GKQUFDJGHHLVTD-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)C[C@@H](C)c1cnn(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574507606 950459082 /nfs/dbraw/zinc/45/90/82/950459082.db2.gz GKQUFDJGHHLVTD-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C1CC1 ZINC001574507670 950459179 /nfs/dbraw/zinc/45/91/79/950459179.db2.gz HCDRWQFFUVIILP-AWEZNQCLSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@@H](CC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C1CC1 ZINC001574507670 950459188 /nfs/dbraw/zinc/45/91/88/950459188.db2.gz HCDRWQFFUVIILP-AWEZNQCLSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001574993124 950460278 /nfs/dbraw/zinc/46/02/78/950460278.db2.gz JETMAXQRDOITOX-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001574993124 950460292 /nfs/dbraw/zinc/46/02/92/950460292.db2.gz JETMAXQRDOITOX-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)Cn1ccccc1=O ZINC001575912540 950465702 /nfs/dbraw/zinc/46/57/02/950465702.db2.gz GZOQZRIODHUHCA-OCCSQVGLSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)Cn1ccccc1=O ZINC001575912540 950465708 /nfs/dbraw/zinc/46/57/08/950465708.db2.gz GZOQZRIODHUHCA-OCCSQVGLSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575605509 950467583 /nfs/dbraw/zinc/46/75/83/950467583.db2.gz JUHVANZBKCPMQX-FTLABTOESA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575605509 950467594 /nfs/dbraw/zinc/46/75/94/950467594.db2.gz JUHVANZBKCPMQX-FTLABTOESA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574751963 950468729 /nfs/dbraw/zinc/46/87/29/950468729.db2.gz SCTUSUZTPFFGNW-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574751963 950468755 /nfs/dbraw/zinc/46/87/55/950468755.db2.gz SCTUSUZTPFFGNW-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574751962 950469592 /nfs/dbraw/zinc/46/95/92/950469592.db2.gz SCTUSUZTPFFGNW-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574751962 950469599 /nfs/dbraw/zinc/46/95/99/950469599.db2.gz SCTUSUZTPFFGNW-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc2nccnc2c1 ZINC001574993900 950470290 /nfs/dbraw/zinc/47/02/90/950470290.db2.gz NEOLKMVSHGCYDE-VIFPVBQESA-N -1 3 392.383 0.081 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc2nccnc2c1 ZINC001574993900 950470300 /nfs/dbraw/zinc/47/03/00/950470300.db2.gz NEOLKMVSHGCYDE-VIFPVBQESA-N -1 3 392.383 0.081 20 0 GCADHM CC(C)n1ncnc1CN[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001575913023 950473006 /nfs/dbraw/zinc/47/30/06/950473006.db2.gz SOOHDGGCIILTEF-RYUDHWBXSA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001574166720 950475385 /nfs/dbraw/zinc/47/53/85/950475385.db2.gz WRIXMIQMQGLWKQ-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001574166720 950475402 /nfs/dbraw/zinc/47/54/02/950475402.db2.gz WRIXMIQMQGLWKQ-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575605724 950475636 /nfs/dbraw/zinc/47/56/36/950475636.db2.gz PXDTYKATWLMAAL-SCLBCKFNSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575605724 950475654 /nfs/dbraw/zinc/47/56/54/950475654.db2.gz PXDTYKATWLMAAL-SCLBCKFNSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574994445 950479959 /nfs/dbraw/zinc/47/99/59/950479959.db2.gz RBPRFNPNOLPYMY-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574994445 950479968 /nfs/dbraw/zinc/47/99/68/950479968.db2.gz RBPRFNPNOLPYMY-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575913834 950485905 /nfs/dbraw/zinc/48/59/05/950485905.db2.gz JULOIQBDDSLCNT-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575913834 950485920 /nfs/dbraw/zinc/48/59/20/950485920.db2.gz JULOIQBDDSLCNT-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574508705 950486108 /nfs/dbraw/zinc/48/61/08/950486108.db2.gz MQFYLAGCZRRHFY-AWEZNQCLSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575913860 950486129 /nfs/dbraw/zinc/48/61/29/950486129.db2.gz JYGXDTKUBURFAB-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575913860 950486147 /nfs/dbraw/zinc/48/61/47/950486147.db2.gz JYGXDTKUBURFAB-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574508705 950486116 /nfs/dbraw/zinc/48/61/16/950486116.db2.gz MQFYLAGCZRRHFY-AWEZNQCLSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2O)CCOC1 ZINC001575605898 950487936 /nfs/dbraw/zinc/48/79/36/950487936.db2.gz ZMNYHXBXXNWQQS-WQGACYEGSA-N -1 3 378.458 0.016 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2O)CCOC1 ZINC001575605898 950487954 /nfs/dbraw/zinc/48/79/54/950487954.db2.gz ZMNYHXBXXNWQQS-WQGACYEGSA-N -1 3 378.458 0.016 20 0 GCADHM C[C@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575913859 950488399 /nfs/dbraw/zinc/48/83/99/950488399.db2.gz ULJBZPCITRLRQK-UWVGGRQHSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575913859 950488419 /nfs/dbraw/zinc/48/84/19/950488419.db2.gz ULJBZPCITRLRQK-UWVGGRQHSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@H](CC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574508706 950488719 /nfs/dbraw/zinc/48/87/19/950488719.db2.gz MQFYLAGCZRRHFY-CQSZACIVSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@H](CC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001574508706 950488734 /nfs/dbraw/zinc/48/87/34/950488734.db2.gz MQFYLAGCZRRHFY-CQSZACIVSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccn(C(F)F)n1 ZINC001574994572 950488890 /nfs/dbraw/zinc/48/88/90/950488890.db2.gz UUDOUANYKJBLLI-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccn(C(F)F)n1 ZINC001574994572 950488897 /nfs/dbraw/zinc/48/88/97/950488897.db2.gz UUDOUANYKJBLLI-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CC(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574508977 950492103 /nfs/dbraw/zinc/49/21/03/950492103.db2.gz NISRNGGMCDZUGN-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CC(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574508977 950492118 /nfs/dbraw/zinc/49/21/18/950492118.db2.gz NISRNGGMCDZUGN-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM CC1CCN(CC(=O)NCC2CC(Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001576205060 950494102 /nfs/dbraw/zinc/49/41/02/950494102.db2.gz GCPTWYSVVVYKAO-UHFFFAOYSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC1CCOCC1 ZINC001574752659 950495629 /nfs/dbraw/zinc/49/56/29/950495629.db2.gz ZDFBYPLXSNMOPM-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1CCOCC1 ZINC001574752659 950495643 /nfs/dbraw/zinc/49/56/43/950495643.db2.gz ZDFBYPLXSNMOPM-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573866442 950503119 /nfs/dbraw/zinc/50/31/19/950503119.db2.gz CDJAVFHDXRBCPQ-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573866442 950503139 /nfs/dbraw/zinc/50/31/39/950503139.db2.gz CDJAVFHDXRBCPQ-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574753160 950507812 /nfs/dbraw/zinc/50/78/12/950507812.db2.gz JCTWNBCFGGEITA-SECBINFHSA-N -1 3 387.379 0.067 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574753160 950507830 /nfs/dbraw/zinc/50/78/30/950507830.db2.gz JCTWNBCFGGEITA-SECBINFHSA-N -1 3 387.379 0.067 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573866684 950509705 /nfs/dbraw/zinc/50/97/05/950509705.db2.gz ISNRKAYJNUSFKO-GOSISDBHSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573866684 950509714 /nfs/dbraw/zinc/50/97/14/950509714.db2.gz ISNRKAYJNUSFKO-GOSISDBHSA-N -1 3 389.460 0.842 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574995421 950510704 /nfs/dbraw/zinc/51/07/04/950510704.db2.gz ZUNBXCRYUMXSCV-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574995421 950510725 /nfs/dbraw/zinc/51/07/25/950510725.db2.gz ZUNBXCRYUMXSCV-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)n1ccnc1 ZINC001574509364 950512105 /nfs/dbraw/zinc/51/21/05/950512105.db2.gz RQGKGFDOBGANLT-LBPRGKRZSA-N -1 3 382.432 0.590 20 0 GCADHM CC(C)(C)OCC(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573866765 950513673 /nfs/dbraw/zinc/51/36/73/950513673.db2.gz LPTDZVKCZXWEDI-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)OCC(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573866765 950513693 /nfs/dbraw/zinc/51/36/93/950513693.db2.gz LPTDZVKCZXWEDI-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nnc2n1CCCCC2 ZINC001574995702 950514465 /nfs/dbraw/zinc/51/44/65/950514465.db2.gz GZIGTQPMBJYPRC-NSHDSACASA-N -1 3 384.448 0.421 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nnc2n1CCCCC2 ZINC001574995702 950514485 /nfs/dbraw/zinc/51/44/85/950514485.db2.gz GZIGTQPMBJYPRC-NSHDSACASA-N -1 3 384.448 0.421 20 0 GCADHM C[C@H]1CCN(CC(=O)N[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C(C)(C)C)C1 ZINC001576205335 950515650 /nfs/dbraw/zinc/51/56/50/950515650.db2.gz XLYDEDSLTYIHKT-QWHCGFSZSA-N -1 3 387.492 0.363 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573867101 950519031 /nfs/dbraw/zinc/51/90/31/950519031.db2.gz PJEMMUBWOAKKSW-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573867101 950519043 /nfs/dbraw/zinc/51/90/43/950519043.db2.gz PJEMMUBWOAKKSW-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574996059 950522129 /nfs/dbraw/zinc/52/21/29/950522129.db2.gz KGZHZPGKIAOYQS-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574996059 950522139 /nfs/dbraw/zinc/52/21/39/950522139.db2.gz KGZHZPGKIAOYQS-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573867108 950522160 /nfs/dbraw/zinc/52/21/60/950522160.db2.gz PKQUVQKKLAAVRQ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573867108 950522173 /nfs/dbraw/zinc/52/21/73/950522173.db2.gz PKQUVQKKLAAVRQ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573867339 950527677 /nfs/dbraw/zinc/52/76/77/950527677.db2.gz WSPDRVFNVJEFHD-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573867339 950527689 /nfs/dbraw/zinc/52/76/89/950527689.db2.gz WSPDRVFNVJEFHD-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[nH]n1 ZINC001574996666 950528072 /nfs/dbraw/zinc/52/80/72/950528072.db2.gz OAQYREXHPPUFCX-JTQLQIEISA-N -1 3 385.432 0.837 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]n1 ZINC001574996666 950528089 /nfs/dbraw/zinc/52/80/89/950528089.db2.gz OAQYREXHPPUFCX-JTQLQIEISA-N -1 3 385.432 0.837 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574753686 950534910 /nfs/dbraw/zinc/53/49/10/950534910.db2.gz QGDBAKKHBPILRF-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574753686 950534927 /nfs/dbraw/zinc/53/49/27/950534927.db2.gz QGDBAKKHBPILRF-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574753716 950539743 /nfs/dbraw/zinc/53/97/43/950539743.db2.gz HFDGKJWACXJJNN-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574753716 950539760 /nfs/dbraw/zinc/53/97/60/950539760.db2.gz HFDGKJWACXJJNN-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@]1(C(N)=O)CCN(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC001575614594 950544106 /nfs/dbraw/zinc/54/41/06/950544106.db2.gz JGNMYJRYEZDOHQ-GOSISDBHSA-N -1 3 395.427 0.841 20 0 GCADHM C[C@@]1(C(N)=O)CCN(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001575614594 950544113 /nfs/dbraw/zinc/54/41/13/950544113.db2.gz JGNMYJRYEZDOHQ-GOSISDBHSA-N -1 3 395.427 0.841 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573868609 950545520 /nfs/dbraw/zinc/54/55/20/950545520.db2.gz FILAIXUUPJTVNY-GXTWGEPZSA-N -1 3 392.435 0.877 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573868609 950545529 /nfs/dbraw/zinc/54/55/29/950545529.db2.gz FILAIXUUPJTVNY-GXTWGEPZSA-N -1 3 392.435 0.877 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573868613 950546180 /nfs/dbraw/zinc/54/61/80/950546180.db2.gz FILAIXUUPJTVNY-OCCSQVGLSA-N -1 3 392.435 0.877 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573868613 950546197 /nfs/dbraw/zinc/54/61/97/950546197.db2.gz FILAIXUUPJTVNY-OCCSQVGLSA-N -1 3 392.435 0.877 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)C(F)(F)F ZINC001574510869 950547236 /nfs/dbraw/zinc/54/72/36/950547236.db2.gz CGVHMNXWAFPHMQ-GDPRMGEGSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)C(F)(F)F ZINC001574510869 950547249 /nfs/dbraw/zinc/54/72/49/950547249.db2.gz CGVHMNXWAFPHMQ-GDPRMGEGSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C1CC1 ZINC001574510905 950551976 /nfs/dbraw/zinc/55/19/76/950551976.db2.gz DIXVMDJEBJNMBE-FZQKWOKYSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C1CC1 ZINC001574510905 950551994 /nfs/dbraw/zinc/55/19/94/950551994.db2.gz DIXVMDJEBJNMBE-FZQKWOKYSA-N -1 3 375.408 0.503 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001573869152 950554776 /nfs/dbraw/zinc/55/47/76/950554776.db2.gz LLUHCZMCMSIQSX-QWHCGFSZSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001573869152 950554794 /nfs/dbraw/zinc/55/47/94/950554794.db2.gz LLUHCZMCMSIQSX-QWHCGFSZSA-N -1 3 375.433 0.133 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn2c1CCC2 ZINC001574753983 950554976 /nfs/dbraw/zinc/55/49/76/950554976.db2.gz JBUFSWHRMNBONH-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn2c1CCC2 ZINC001574753983 950554994 /nfs/dbraw/zinc/55/49/94/950554994.db2.gz JBUFSWHRMNBONH-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H]1CCN(CC(=O)NCC2(Nc3ccnc(-c4nnn[n-]4)n3)CCCC2)C1 ZINC001576206112 950560190 /nfs/dbraw/zinc/56/01/90/950560190.db2.gz UTIPZVVOTHGYPL-ZDUSSCGKSA-N -1 3 385.476 0.261 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574754170 950562157 /nfs/dbraw/zinc/56/21/57/950562157.db2.gz YZQNUBBFJVYQHC-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574754170 950562174 /nfs/dbraw/zinc/56/21/74/950562174.db2.gz YZQNUBBFJVYQHC-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575615566 950565908 /nfs/dbraw/zinc/56/59/08/950565908.db2.gz BEXBWFKBJQXZGN-LLVKDONJSA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575615566 950565921 /nfs/dbraw/zinc/56/59/21/950565921.db2.gz BEXBWFKBJQXZGN-LLVKDONJSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnc2n1CCCC2 ZINC001574754312 950567462 /nfs/dbraw/zinc/56/74/62/950567462.db2.gz KLAKCWGHBSODMX-LLVKDONJSA-N -1 3 384.448 0.373 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573869529 950567715 /nfs/dbraw/zinc/56/77/15/950567715.db2.gz PZGTUEMFSLLERC-CYBMUJFWSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573869529 950567736 /nfs/dbraw/zinc/56/77/36/950567736.db2.gz PZGTUEMFSLLERC-CYBMUJFWSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)n1cccc1 ZINC001574511743 950569155 /nfs/dbraw/zinc/56/91/55/950569155.db2.gz SRDPMABKBSCACY-CFVMTHIKSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)n1cccc1 ZINC001574511743 950569173 /nfs/dbraw/zinc/56/91/73/950569173.db2.gz SRDPMABKBSCACY-CFVMTHIKSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)on1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574999032 950570732 /nfs/dbraw/zinc/57/07/32/950570732.db2.gz DLKALZXJBSMRHM-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)on1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574999032 950570763 /nfs/dbraw/zinc/57/07/63/950570763.db2.gz DLKALZXJBSMRHM-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574754556 950574321 /nfs/dbraw/zinc/57/43/21/950574321.db2.gz MPZGFVWLDHJFGB-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574754556 950574345 /nfs/dbraw/zinc/57/43/45/950574345.db2.gz MPZGFVWLDHJFGB-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573869782 950577957 /nfs/dbraw/zinc/57/79/57/950577957.db2.gz CVMAACVNLIVEFJ-JTQLQIEISA-N -1 3 383.840 0.619 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573869782 950577982 /nfs/dbraw/zinc/57/79/82/950577982.db2.gz CVMAACVNLIVEFJ-JTQLQIEISA-N -1 3 383.840 0.619 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)n1cccc1 ZINC001574511777 950577681 /nfs/dbraw/zinc/57/76/81/950577681.db2.gz UBPZDSUVNLXLBT-BPLDGKMQSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)n1cccc1 ZINC001574511777 950577699 /nfs/dbraw/zinc/57/76/99/950577699.db2.gz UBPZDSUVNLXLBT-BPLDGKMQSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574999450 950579019 /nfs/dbraw/zinc/57/90/19/950579019.db2.gz KCUUEGGFFFTRIL-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574999450 950579036 /nfs/dbraw/zinc/57/90/36/950579036.db2.gz KCUUEGGFFFTRIL-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nc2ncccn2n1 ZINC001575917544 950580058 /nfs/dbraw/zinc/58/00/58/950580058.db2.gz YXWCLTDCVIFRJJ-ZYHUDNBSSA-N -1 3 391.399 0.415 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nc2ncccn2n1 ZINC001575917544 950580085 /nfs/dbraw/zinc/58/00/85/950580085.db2.gz YXWCLTDCVIFRJJ-ZYHUDNBSSA-N -1 3 391.399 0.415 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001573869957 950581089 /nfs/dbraw/zinc/58/10/89/950581089.db2.gz SMJKZUQAPIOHGK-QWHCGFSZSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001573869957 950581102 /nfs/dbraw/zinc/58/11/02/950581102.db2.gz SMJKZUQAPIOHGK-QWHCGFSZSA-N -1 3 375.433 0.133 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)C(F)(F)F ZINC001574511964 950581883 /nfs/dbraw/zinc/58/18/83/950581883.db2.gz YBIKCSDFZJZGGN-AXTRIDKLSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)C(F)(F)F ZINC001574511964 950581900 /nfs/dbraw/zinc/58/19/00/950581900.db2.gz YBIKCSDFZJZGGN-AXTRIDKLSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574999679 950582629 /nfs/dbraw/zinc/58/26/29/950582629.db2.gz LMPGFBXTJRCLNV-QMMMGPOBSA-N -1 3 387.379 0.083 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574999679 950582652 /nfs/dbraw/zinc/58/26/52/950582652.db2.gz LMPGFBXTJRCLNV-QMMMGPOBSA-N -1 3 387.379 0.083 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nnsc1Cl ZINC001574754833 950586390 /nfs/dbraw/zinc/58/63/90/950586390.db2.gz REEPCQXIONEHSB-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnsc1Cl ZINC001574754833 950586406 /nfs/dbraw/zinc/58/64/06/950586406.db2.gz REEPCQXIONEHSB-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001573870189 950586540 /nfs/dbraw/zinc/58/65/40/950586540.db2.gz GGXUQNUNPUPKFO-ZDUSSCGKSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001573870189 950586546 /nfs/dbraw/zinc/58/65/46/950586546.db2.gz GGXUQNUNPUPKFO-ZDUSSCGKSA-N -1 3 375.433 0.398 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)C1(C)C ZINC001575616366 950586832 /nfs/dbraw/zinc/58/68/32/950586832.db2.gz OPIYAPJKQCXTRJ-NEPJUHHUSA-N -1 3 387.444 0.179 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)C1(C)C ZINC001575616366 950586844 /nfs/dbraw/zinc/58/68/44/950586844.db2.gz OPIYAPJKQCXTRJ-NEPJUHHUSA-N -1 3 387.444 0.179 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nc(C2CC2)nn1C ZINC001574754805 950587031 /nfs/dbraw/zinc/58/70/31/950587031.db2.gz QIPCZSAIVREWHG-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001576207128 950589877 /nfs/dbraw/zinc/58/98/77/950589877.db2.gz CUGADDLTXCQDMC-ZIAGYGMSSA-N -1 3 385.476 0.330 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C)n1ccnc1 ZINC001574513018 950590269 /nfs/dbraw/zinc/59/02/69/950590269.db2.gz GOMOTHSQBQRZGT-BZPMIXESSA-N -1 3 397.443 0.762 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C)n1ccnc1 ZINC001574513018 950590292 /nfs/dbraw/zinc/59/02/92/950590292.db2.gz GOMOTHSQBQRZGT-BZPMIXESSA-N -1 3 397.443 0.762 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573870336 950592331 /nfs/dbraw/zinc/59/23/31/950592331.db2.gz UZGKVTIYBXWSPG-CYBMUJFWSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573870336 950592348 /nfs/dbraw/zinc/59/23/48/950592348.db2.gz UZGKVTIYBXWSPG-CYBMUJFWSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575000112 950593063 /nfs/dbraw/zinc/59/30/63/950593063.db2.gz PBAGYQXBXBWSKA-LURJTMIESA-N -1 3 379.331 0.404 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575000112 950593072 /nfs/dbraw/zinc/59/30/72/950593072.db2.gz PBAGYQXBXBWSKA-LURJTMIESA-N -1 3 379.331 0.404 20 0 GCADHM CC1CCN(CC(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576207691 950600928 /nfs/dbraw/zinc/60/09/28/950600928.db2.gz ILAOIQZUNOAZAL-OKILXGFUSA-N -1 3 385.476 0.117 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001574756230 950600956 /nfs/dbraw/zinc/60/09/56/950600956.db2.gz XQZFUUPOGMWPPQ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001574756230 950600970 /nfs/dbraw/zinc/60/09/70/950600970.db2.gz XQZFUUPOGMWPPQ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)C1(C)C ZINC001575617302 950601438 /nfs/dbraw/zinc/60/14/38/950601438.db2.gz ZZGJRHKEYVBMJC-NEPJUHHUSA-N -1 3 387.444 0.179 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)C1(C)C ZINC001575617302 950601448 /nfs/dbraw/zinc/60/14/48/950601448.db2.gz ZZGJRHKEYVBMJC-NEPJUHHUSA-N -1 3 387.444 0.179 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)C1(C)C ZINC001575617938 950602697 /nfs/dbraw/zinc/60/26/97/950602697.db2.gz DUFGCRVSBMQJFO-JTQLQIEISA-N -1 3 377.424 0.972 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)C1(C)C ZINC001575617938 950602708 /nfs/dbraw/zinc/60/27/08/950602708.db2.gz DUFGCRVSBMQJFO-JTQLQIEISA-N -1 3 377.424 0.972 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573871085 950609359 /nfs/dbraw/zinc/60/93/59/950609359.db2.gz NCSJEWPWTCSLHW-UHFFFAOYSA-N -1 3 392.435 0.484 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573871085 950609375 /nfs/dbraw/zinc/60/93/75/950609375.db2.gz NCSJEWPWTCSLHW-UHFFFAOYSA-N -1 3 392.435 0.484 20 0 GCADHM CC(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574174062 950615643 /nfs/dbraw/zinc/61/56/43/950615643.db2.gz FGTVJDKFPACKGU-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574174062 950615683 /nfs/dbraw/zinc/61/56/83/950615683.db2.gz FGTVJDKFPACKGU-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CCn1cnnn1 ZINC001575919650 950617746 /nfs/dbraw/zinc/61/77/46/950617746.db2.gz JLRHDQQIEQIQGV-PWSUYJOCSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CCn1cnnn1 ZINC001575919650 950617763 /nfs/dbraw/zinc/61/77/63/950617763.db2.gz JLRHDQQIEQIQGV-PWSUYJOCSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000900 950619364 /nfs/dbraw/zinc/61/93/64/950619364.db2.gz HYTVJPIZNNTKTE-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000900 950619377 /nfs/dbraw/zinc/61/93/77/950619377.db2.gz HYTVJPIZNNTKTE-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM CC1(C)C(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1(C)C ZINC001575619301 950619407 /nfs/dbraw/zinc/61/94/07/950619407.db2.gz OLZTWJTWQNLPGG-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1(C)C ZINC001575619301 950619425 /nfs/dbraw/zinc/61/94/25/950619425.db2.gz OLZTWJTWQNLPGG-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574513790 950620645 /nfs/dbraw/zinc/62/06/45/950620645.db2.gz ZPJXIOSPBUSTQB-JSGCOSHPSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574513790 950620658 /nfs/dbraw/zinc/62/06/58/950620658.db2.gz ZPJXIOSPBUSTQB-JSGCOSHPSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574513801 950620792 /nfs/dbraw/zinc/62/07/92/950620792.db2.gz ZZOOGWHUPQOABV-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574513801 950620799 /nfs/dbraw/zinc/62/07/99/950620799.db2.gz ZZOOGWHUPQOABV-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575001140 950621347 /nfs/dbraw/zinc/62/13/47/950621347.db2.gz UDXGWQJGRNSMMY-NSHDSACASA-N -1 3 385.432 0.566 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575001140 950621358 /nfs/dbraw/zinc/62/13/58/950621358.db2.gz UDXGWQJGRNSMMY-NSHDSACASA-N -1 3 385.432 0.566 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575001179 950622908 /nfs/dbraw/zinc/62/29/08/950622908.db2.gz UXDBYSMJANFURM-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575001179 950622926 /nfs/dbraw/zinc/62/29/26/950622926.db2.gz UXDBYSMJANFURM-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573871776 950627941 /nfs/dbraw/zinc/62/79/41/950627941.db2.gz WKFHMRCSBQHIPC-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573871776 950627956 /nfs/dbraw/zinc/62/79/56/950627956.db2.gz WKFHMRCSBQHIPC-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC1(C)C(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1(C)C ZINC001575620409 950632426 /nfs/dbraw/zinc/63/24/26/950632426.db2.gz XRIADLYQNDNHCP-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1(C)C ZINC001575620409 950632442 /nfs/dbraw/zinc/63/24/42/950632442.db2.gz XRIADLYQNDNHCP-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575001538 950635379 /nfs/dbraw/zinc/63/53/79/950635379.db2.gz MRXHXGWHKRKKJD-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575001538 950635395 /nfs/dbraw/zinc/63/53/95/950635395.db2.gz MRXHXGWHKRKKJD-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575001540 950635748 /nfs/dbraw/zinc/63/57/48/950635748.db2.gz MUWDCKCPHMAUCU-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575001540 950635766 /nfs/dbraw/zinc/63/57/66/950635766.db2.gz MUWDCKCPHMAUCU-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574175093 950652077 /nfs/dbraw/zinc/65/20/77/950652077.db2.gz MORRURSXIYPBHG-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574175093 950652087 /nfs/dbraw/zinc/65/20/87/950652087.db2.gz MORRURSXIYPBHG-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574518331 950652072 /nfs/dbraw/zinc/65/20/72/950652072.db2.gz NYGIAXDSNZGVDZ-FJJYHAOUSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574518331 950652082 /nfs/dbraw/zinc/65/20/82/950652082.db2.gz NYGIAXDSNZGVDZ-FJJYHAOUSA-N -1 3 387.444 0.777 20 0 GCADHM CC(C)CCC(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574175061 950653356 /nfs/dbraw/zinc/65/33/56/950653356.db2.gz XLXJQWKIOMXFHM-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574175061 950653368 /nfs/dbraw/zinc/65/33/68/950653368.db2.gz XLXJQWKIOMXFHM-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574518683 950655169 /nfs/dbraw/zinc/65/51/69/950655169.db2.gz PPHVRKKWDRNRHV-DRZSPHRISA-N -1 3 387.448 0.548 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574518683 950655186 /nfs/dbraw/zinc/65/51/86/950655186.db2.gz PPHVRKKWDRNRHV-DRZSPHRISA-N -1 3 387.448 0.548 20 0 GCADHM CC1(C)CC(C(=O)N2CCOC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575623933 950655810 /nfs/dbraw/zinc/65/58/10/950655810.db2.gz FKMYGKRYKBGTGP-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)N2CCOC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575623933 950655830 /nfs/dbraw/zinc/65/58/30/950655830.db2.gz FKMYGKRYKBGTGP-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574518893 950660355 /nfs/dbraw/zinc/66/03/55/950660355.db2.gz RNFHMMIULPSDRK-BYYOYISRSA-N -1 3 388.407 0.004 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574518893 950660372 /nfs/dbraw/zinc/66/03/72/950660372.db2.gz RNFHMMIULPSDRK-BYYOYISRSA-N -1 3 388.407 0.004 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574760288 950663045 /nfs/dbraw/zinc/66/30/45/950663045.db2.gz IHDCDTWQMQTMAV-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574760288 950663066 /nfs/dbraw/zinc/66/30/66/950663066.db2.gz IHDCDTWQMQTMAV-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccn1 ZINC001574518948 950664196 /nfs/dbraw/zinc/66/41/96/950664196.db2.gz SCIBUYCKVDTBDE-HVOFVXBASA-N -1 3 379.428 0.660 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccn1 ZINC001574518948 950664207 /nfs/dbraw/zinc/66/42/07/950664207.db2.gz SCIBUYCKVDTBDE-HVOFVXBASA-N -1 3 379.428 0.660 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574519002 950665811 /nfs/dbraw/zinc/66/58/11/950665811.db2.gz SGEJVQPBJJMRMH-BPGGGUHBSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574519002 950665825 /nfs/dbraw/zinc/66/58/25/950665825.db2.gz SGEJVQPBJJMRMH-BPGGGUHBSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574760670 950676674 /nfs/dbraw/zinc/67/66/74/950676674.db2.gz LATSQURNMRVHOR-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574760670 950676693 /nfs/dbraw/zinc/67/66/93/950676693.db2.gz LATSQURNMRVHOR-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cncnc1)C1CC1 ZINC001575005383 950679929 /nfs/dbraw/zinc/67/99/29/950679929.db2.gz CQOOUHAIJSQGHW-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cncnc1)C1CC1 ZINC001575005383 950679942 /nfs/dbraw/zinc/67/99/42/950679942.db2.gz CQOOUHAIJSQGHW-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001576214882 950683041 /nfs/dbraw/zinc/68/30/41/950683041.db2.gz DDKQQQTUCMUNHO-BZNIZROVSA-N -1 3 381.444 0.903 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001575005463 950685285 /nfs/dbraw/zinc/68/52/85/950685285.db2.gz FTCUFVZWARLYDZ-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001575005463 950685291 /nfs/dbraw/zinc/68/52/91/950685291.db2.gz FTCUFVZWARLYDZ-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001575005462 950685628 /nfs/dbraw/zinc/68/56/28/950685628.db2.gz FTCUFVZWARLYDZ-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001575005462 950685640 /nfs/dbraw/zinc/68/56/40/950685640.db2.gz FTCUFVZWARLYDZ-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215297 950690598 /nfs/dbraw/zinc/69/05/98/950690598.db2.gz AKOUDSWNOUALBR-WDEREUQCSA-N -1 3 382.432 0.038 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)C1 ZINC001575625633 950691360 /nfs/dbraw/zinc/69/13/60/950691360.db2.gz VMKNQVMYWKCYPN-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)C1 ZINC001575625633 950691369 /nfs/dbraw/zinc/69/13/69/950691369.db2.gz VMKNQVMYWKCYPN-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574519656 950691603 /nfs/dbraw/zinc/69/16/03/950691603.db2.gz XKAATKLNKSBQOE-IJLUTSLNSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574519656 950691620 /nfs/dbraw/zinc/69/16/20/950691620.db2.gz XKAATKLNKSBQOE-IJLUTSLNSA-N -1 3 383.416 0.420 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)C1 ZINC001575625631 950692621 /nfs/dbraw/zinc/69/26/21/950692621.db2.gz VMKNQVMYWKCYPN-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)C1 ZINC001575625631 950692629 /nfs/dbraw/zinc/69/26/29/950692629.db2.gz VMKNQVMYWKCYPN-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576215374 950694499 /nfs/dbraw/zinc/69/44/99/950694499.db2.gz ARUIDSGLQSLNDS-JQWIXIFHSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576215374 950694513 /nfs/dbraw/zinc/69/45/13/950694513.db2.gz ARUIDSGLQSLNDS-JQWIXIFHSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574519778 950697623 /nfs/dbraw/zinc/69/76/23/950697623.db2.gz IDMSQDWRNKZFNO-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574519778 950697631 /nfs/dbraw/zinc/69/76/31/950697631.db2.gz IDMSQDWRNKZFNO-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574762197 950706234 /nfs/dbraw/zinc/70/62/34/950706234.db2.gz XBRUCEUBJQJBMI-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574762197 950706253 /nfs/dbraw/zinc/70/62/53/950706253.db2.gz XBRUCEUBJQJBMI-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576215746 950707776 /nfs/dbraw/zinc/70/77/76/950707776.db2.gz GFQSUUDIBVVEFW-NXEZZACHSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575006030 950711775 /nfs/dbraw/zinc/71/17/75/950711775.db2.gz QKONFSWZEVSVDO-LLVKDONJSA-N -1 3 383.416 0.495 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575006030 950711782 /nfs/dbraw/zinc/71/17/82/950711782.db2.gz QKONFSWZEVSVDO-LLVKDONJSA-N -1 3 383.416 0.495 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cncs1)C1CC1 ZINC001575006003 950712134 /nfs/dbraw/zinc/71/21/34/950712134.db2.gz PSJSAWXCONQERP-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cncs1)C1CC1 ZINC001575006003 950712153 /nfs/dbraw/zinc/71/21/53/950712153.db2.gz PSJSAWXCONQERP-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM CC(C)C(=O)N1C[C@@H](C)O[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576215875 950712352 /nfs/dbraw/zinc/71/23/52/950712352.db2.gz CAEONNNYBCMQKH-KZULUSFZSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)C(=O)N1C[C@@H](C)O[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576215875 950712370 /nfs/dbraw/zinc/71/23/70/950712370.db2.gz CAEONNNYBCMQKH-KZULUSFZSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001576215914 950720421 /nfs/dbraw/zinc/72/04/21/950720421.db2.gz HDGIQJQQPSTGAP-TVQRCGJNSA-N -1 3 384.448 0.652 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575006487 950720534 /nfs/dbraw/zinc/72/05/34/950720534.db2.gz UWQILMFOAQKSIJ-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575006487 950720544 /nfs/dbraw/zinc/72/05/44/950720544.db2.gz UWQILMFOAQKSIJ-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574180306 950721145 /nfs/dbraw/zinc/72/11/45/950721145.db2.gz REXJWXCRPLGUEZ-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574180306 950721161 /nfs/dbraw/zinc/72/11/61/950721161.db2.gz REXJWXCRPLGUEZ-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574180352 950722579 /nfs/dbraw/zinc/72/25/79/950722579.db2.gz SDRNYJQOHWEXEN-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574180352 950722595 /nfs/dbraw/zinc/72/25/95/950722595.db2.gz SDRNYJQOHWEXEN-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574763554 950723039 /nfs/dbraw/zinc/72/30/39/950723039.db2.gz DUTHHSHBOAUSEU-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574763554 950723046 /nfs/dbraw/zinc/72/30/46/950723046.db2.gz DUTHHSHBOAUSEU-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001575006577 950724035 /nfs/dbraw/zinc/72/40/35/950724035.db2.gz VZHKDPQVCBWEJQ-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574763577 950723994 /nfs/dbraw/zinc/72/39/94/950723994.db2.gz FKHKMQYGCLBNBW-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574763577 950724007 /nfs/dbraw/zinc/72/40/07/950724007.db2.gz FKHKMQYGCLBNBW-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001574520317 950724152 /nfs/dbraw/zinc/72/41/52/950724152.db2.gz PPLMRXVKJOEWAI-YYWXWVFPSA-N -1 3 379.428 0.660 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001574520317 950724158 /nfs/dbraw/zinc/72/41/58/950724158.db2.gz PPLMRXVKJOEWAI-YYWXWVFPSA-N -1 3 379.428 0.660 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001575006606 950725841 /nfs/dbraw/zinc/72/58/41/950725841.db2.gz WGUHCZGIWGCONQ-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001575006606 950725854 /nfs/dbraw/zinc/72/58/54/950725854.db2.gz WGUHCZGIWGCONQ-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001574520316 950726037 /nfs/dbraw/zinc/72/60/37/950726037.db2.gz PPLMRXVKJOEWAI-UYHMYPTGSA-N -1 3 379.428 0.660 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001574520316 950726049 /nfs/dbraw/zinc/72/60/49/950726049.db2.gz PPLMRXVKJOEWAI-UYHMYPTGSA-N -1 3 379.428 0.660 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574763754 950730136 /nfs/dbraw/zinc/73/01/36/950730136.db2.gz JRKAEXHTPQZMHX-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574763754 950730157 /nfs/dbraw/zinc/73/01/57/950730157.db2.gz JRKAEXHTPQZMHX-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575006957 950730227 /nfs/dbraw/zinc/73/02/27/950730227.db2.gz YZPVYDQSYHFWDG-VIFPVBQESA-N -1 3 387.379 0.244 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575006957 950730233 /nfs/dbraw/zinc/73/02/33/950730233.db2.gz YZPVYDQSYHFWDG-VIFPVBQESA-N -1 3 387.379 0.244 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574180832 950730792 /nfs/dbraw/zinc/73/07/92/950730792.db2.gz XLUGXLJSRYQQDJ-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574180832 950730802 /nfs/dbraw/zinc/73/08/02/950730802.db2.gz XLUGXLJSRYQQDJ-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)c1cc(CN[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001573879760 950732452 /nfs/dbraw/zinc/73/24/52/950732452.db2.gz LDYKLDFCCFGNHB-GFCCVEGCSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001573879760 950732465 /nfs/dbraw/zinc/73/24/65/950732465.db2.gz LDYKLDFCCFGNHB-GFCCVEGCSA-N -1 3 388.432 0.361 20 0 GCADHM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3ncccc3-c3nnn[n-]3)nc2C1 ZINC001576216365 950732386 /nfs/dbraw/zinc/73/23/86/950732386.db2.gz IJKACQKOXHANNM-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3ncccc3-c3nn[n-]n3)nc2C1 ZINC001576216365 950732402 /nfs/dbraw/zinc/73/24/02/950732402.db2.gz IJKACQKOXHANNM-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574180954 950734682 /nfs/dbraw/zinc/73/46/82/950734682.db2.gz HBKYOECVMUQWDR-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574180954 950734697 /nfs/dbraw/zinc/73/46/97/950734697.db2.gz HBKYOECVMUQWDR-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001573879966 950735039 /nfs/dbraw/zinc/73/50/39/950735039.db2.gz QRYBJEICCLCMBI-MHWZDGSBSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001573879966 950735056 /nfs/dbraw/zinc/73/50/56/950735056.db2.gz QRYBJEICCLCMBI-MHWZDGSBSA-N -1 3 387.444 0.179 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1n[nH]c2c1CCC2 ZINC001575007874 950735839 /nfs/dbraw/zinc/73/58/39/950735839.db2.gz ANZGSHQTRSPSHO-VIFPVBQESA-N -1 3 383.416 0.203 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574520562 950738956 /nfs/dbraw/zinc/73/89/56/950738956.db2.gz URGMRMGHGLSKOJ-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574520562 950738970 /nfs/dbraw/zinc/73/89/70/950738970.db2.gz URGMRMGHGLSKOJ-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)c1cc(CNC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001573880244 950740643 /nfs/dbraw/zinc/74/06/43/950740643.db2.gz VSIYJNASHMSJJN-LLVKDONJSA-N -1 3 388.432 0.361 20 0 GCADHM C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3cnc(-c4nnn[n-]4)cn3)c2C1 ZINC001576216945 950745409 /nfs/dbraw/zinc/74/54/09/950745409.db2.gz KKPZEUWEGIYMBX-JTQLQIEISA-N -1 3 382.432 0.371 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574764234 950747898 /nfs/dbraw/zinc/74/78/98/950747898.db2.gz ROBMVTWFEZRHRX-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574764234 950747918 /nfs/dbraw/zinc/74/79/18/950747918.db2.gz ROBMVTWFEZRHRX-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C1(C)CCOCC1 ZINC001575008515 950748650 /nfs/dbraw/zinc/74/86/50/950748650.db2.gz GBVQYJXLHJAXSX-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C1(C)CCOCC1 ZINC001575008515 950748664 /nfs/dbraw/zinc/74/86/64/950748664.db2.gz GBVQYJXLHJAXSX-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cnoc1C1CC1 ZINC001575008737 950750602 /nfs/dbraw/zinc/75/06/02/950750602.db2.gz HLWQPKZKBPYFRE-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cnoc1C1CC1 ZINC001575008737 950750611 /nfs/dbraw/zinc/75/06/11/950750611.db2.gz HLWQPKZKBPYFRE-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM CC1(C)CC(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001575629974 950752240 /nfs/dbraw/zinc/75/22/40/950752240.db2.gz XEYBAPRWZWYHRO-GOSISDBHSA-N -1 3 389.435 0.894 20 0 GCADHM CC1(C)CC(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001575629974 950752254 /nfs/dbraw/zinc/75/22/54/950752254.db2.gz XEYBAPRWZWYHRO-GOSISDBHSA-N -1 3 389.435 0.894 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)C1 ZINC001575630760 950766754 /nfs/dbraw/zinc/76/67/54/950766754.db2.gz HHMKXZACDSPFRH-CHWSQXEVSA-N -1 3 375.408 0.503 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)C1 ZINC001575630760 950766768 /nfs/dbraw/zinc/76/67/68/950766768.db2.gz HHMKXZACDSPFRH-CHWSQXEVSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@@H](OCC1CC1)C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575008990 950767282 /nfs/dbraw/zinc/76/72/82/950767282.db2.gz LRVQNYICWROWFY-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](OCC1CC1)C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008990 950767293 /nfs/dbraw/zinc/76/72/93/950767293.db2.gz LRVQNYICWROWFY-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)OCC1CC1 ZINC001575008993 950767342 /nfs/dbraw/zinc/76/73/42/950767342.db2.gz LRVQNYICWROWFY-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)OCC1CC1 ZINC001575008993 950767357 /nfs/dbraw/zinc/76/73/57/950767357.db2.gz LRVQNYICWROWFY-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cncs1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574521118 950771456 /nfs/dbraw/zinc/77/14/56/950771456.db2.gz DDJXYVMOIAXKDH-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cncs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574521118 950771469 /nfs/dbraw/zinc/77/14/69/950771469.db2.gz DDJXYVMOIAXKDH-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)C1CCOCC1 ZINC001575009105 950774866 /nfs/dbraw/zinc/77/48/66/950774866.db2.gz NSAPCZNCHLUVTC-RYUDHWBXSA-N -1 3 389.460 0.740 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)C1CCOCC1 ZINC001575009105 950774882 /nfs/dbraw/zinc/77/48/82/950774882.db2.gz NSAPCZNCHLUVTC-RYUDHWBXSA-N -1 3 389.460 0.740 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cnc2n1CCC2 ZINC001575009122 950775298 /nfs/dbraw/zinc/77/52/98/950775298.db2.gz NWZLTDNCZUJRRQ-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cnc2n1CCC2 ZINC001575009122 950775305 /nfs/dbraw/zinc/77/53/05/950775305.db2.gz NWZLTDNCZUJRRQ-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574184402 950781172 /nfs/dbraw/zinc/78/11/72/950781172.db2.gz JERPXJBBXGIYPV-ZDUSSCGKSA-N -1 3 391.476 0.912 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574184402 950781188 /nfs/dbraw/zinc/78/11/88/950781188.db2.gz JERPXJBBXGIYPV-ZDUSSCGKSA-N -1 3 391.476 0.912 20 0 GCADHM CC(C)[C@H](C)NC(=O)CN(C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765261 950781576 /nfs/dbraw/zinc/78/15/76/950781576.db2.gz AVNSWFICYWOGOW-RYUDHWBXSA-N -1 3 376.465 0.406 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnns1 ZINC001575929238 950784532 /nfs/dbraw/zinc/78/45/32/950784532.db2.gz BCNANVLVGRKECD-OIBJUYFYSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnns1 ZINC001575929238 950784557 /nfs/dbraw/zinc/78/45/57/950784557.db2.gz BCNANVLVGRKECD-OIBJUYFYSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC1CCCC1 ZINC001575009273 950784663 /nfs/dbraw/zinc/78/46/63/950784663.db2.gz RMFIOUWWCUVHGE-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC1CCCC1 ZINC001575009273 950784681 /nfs/dbraw/zinc/78/46/81/950784681.db2.gz RMFIOUWWCUVHGE-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC1(C)CC(CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575632107 950787478 /nfs/dbraw/zinc/78/74/78/950787478.db2.gz ASJSESDZJIDUTC-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575632107 950787500 /nfs/dbraw/zinc/78/75/00/950787500.db2.gz ASJSESDZJIDUTC-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCC[C@H]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765374 950788518 /nfs/dbraw/zinc/78/85/18/950788518.db2.gz CIAICQQPUUFZNZ-CHWSQXEVSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCC[C@H]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765374 950788535 /nfs/dbraw/zinc/78/85/35/950788535.db2.gz CIAICQQPUUFZNZ-CHWSQXEVSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cnn(C)n1 ZINC001575929594 950788792 /nfs/dbraw/zinc/78/87/92/950788792.db2.gz CQZCZBPLEBBXFE-KCJUWKMLSA-N -1 3 388.823 0.759 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cnn(C)n1 ZINC001575929594 950788801 /nfs/dbraw/zinc/78/88/01/950788801.db2.gz CQZCZBPLEBBXFE-KCJUWKMLSA-N -1 3 388.823 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001575009574 950788868 /nfs/dbraw/zinc/78/88/68/950788868.db2.gz VAHZTYXVQVLZIP-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001575009574 950788885 /nfs/dbraw/zinc/78/88/85/950788885.db2.gz VAHZTYXVQVLZIP-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)c1nnc(CNC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)o1 ZINC001573884278 950790630 /nfs/dbraw/zinc/79/06/30/950790630.db2.gz CDMUNDYAKGNOGQ-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM CC(C)(C)c1nnc(CNC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)o1 ZINC001573884278 950790646 /nfs/dbraw/zinc/79/06/46/950790646.db2.gz CDMUNDYAKGNOGQ-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM CC(C)(C)c1nccc(NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573884227 950790859 /nfs/dbraw/zinc/79/08/59/950790859.db2.gz BFVWLAITDLROOS-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nccc(NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573884227 950790872 /nfs/dbraw/zinc/79/08/72/950790872.db2.gz BFVWLAITDLROOS-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573884255 950791375 /nfs/dbraw/zinc/79/13/75/950791375.db2.gz LTLKFSVMMGZPTI-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573884255 950791382 /nfs/dbraw/zinc/79/13/82/950791382.db2.gz LTLKFSVMMGZPTI-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)N(C(=O)CN(C)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001574765541 950791409 /nfs/dbraw/zinc/79/14/09/950791409.db2.gz DROHMIZSMUTTFK-CYBMUJFWSA-N -1 3 390.492 0.890 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575632268 950793328 /nfs/dbraw/zinc/79/33/28/950793328.db2.gz FVOYIQXVRXRWDR-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575632268 950793343 /nfs/dbraw/zinc/79/33/43/950793343.db2.gz FVOYIQXVRXRWDR-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001573884560 950795080 /nfs/dbraw/zinc/79/50/80/950795080.db2.gz FGEUCPIADIQDTG-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001573884560 950795092 /nfs/dbraw/zinc/79/50/92/950795092.db2.gz FGEUCPIADIQDTG-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1OCCCO1 ZINC001574522500 950795066 /nfs/dbraw/zinc/79/50/66/950795066.db2.gz JQSYKRQMICLGRX-MNOVXSKESA-N -1 3 391.432 0.361 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1OCCCO1 ZINC001574522500 950795078 /nfs/dbraw/zinc/79/50/78/950795078.db2.gz JQSYKRQMICLGRX-MNOVXSKESA-N -1 3 391.432 0.361 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001573884516 950797060 /nfs/dbraw/zinc/79/70/60/950797060.db2.gz DLULDAKLEXBXPK-MGCOHNPYSA-N -1 3 385.432 0.926 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001573884516 950797073 /nfs/dbraw/zinc/79/70/73/950797073.db2.gz DLULDAKLEXBXPK-MGCOHNPYSA-N -1 3 385.432 0.926 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)C1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574523105 950801209 /nfs/dbraw/zinc/80/12/09/950801209.db2.gz LYRLGRPYQDAZDV-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)C1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574523105 950801233 /nfs/dbraw/zinc/80/12/33/950801233.db2.gz LYRLGRPYQDAZDV-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575931160 950802496 /nfs/dbraw/zinc/80/24/96/950802496.db2.gz HEAFSKZPYTZKGL-LDYMZIIASA-N -1 3 385.363 0.612 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575931160 950802513 /nfs/dbraw/zinc/80/25/13/950802513.db2.gz HEAFSKZPYTZKGL-LDYMZIIASA-N -1 3 385.363 0.612 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001573884614 950803074 /nfs/dbraw/zinc/80/30/74/950803074.db2.gz GOCCNEZSYJTERR-XYPYZODXSA-N -1 3 385.432 0.926 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576219195 950805631 /nfs/dbraw/zinc/80/56/31/950805631.db2.gz SSWAIGOWOMJFNB-BMIGLBTASA-N -1 3 382.432 0.298 20 0 GCADHM CC(C)(C)c1cnc(CN[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001573884762 950807115 /nfs/dbraw/zinc/80/71/15/950807115.db2.gz PEVIICZTLPHMEO-JTQLQIEISA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cnc(CN[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001573884762 950807135 /nfs/dbraw/zinc/80/71/35/950807135.db2.gz PEVIICZTLPHMEO-JTQLQIEISA-N -1 3 388.432 0.361 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1c(F)cncc1F ZINC001575010066 950807227 /nfs/dbraw/zinc/80/72/27/950807227.db2.gz ZOTIUIBLMXFQME-MRVPVSSYSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1c(F)cncc1F ZINC001575010066 950807253 /nfs/dbraw/zinc/80/72/53/950807253.db2.gz ZOTIUIBLMXFQME-MRVPVSSYSA-N -1 3 390.354 0.664 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)co1 ZINC001573885000 950807906 /nfs/dbraw/zinc/80/79/06/950807906.db2.gz LCCYWCUXBULZBM-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)co1 ZINC001573885000 950807927 /nfs/dbraw/zinc/80/79/27/950807927.db2.gz LCCYWCUXBULZBM-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1c(F)cncc1F ZINC001575010067 950808910 /nfs/dbraw/zinc/80/89/10/950808910.db2.gz ZOTIUIBLMXFQME-QMMMGPOBSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1c(F)cncc1F ZINC001575010067 950808923 /nfs/dbraw/zinc/80/89/23/950808923.db2.gz ZOTIUIBLMXFQME-QMMMGPOBSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1ccnn1C ZINC001575010059 950810319 /nfs/dbraw/zinc/81/03/19/950810319.db2.gz ZLBYRQQPUDGBIS-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1ccnn1C ZINC001575010059 950810339 /nfs/dbraw/zinc/81/03/39/950810339.db2.gz ZLBYRQQPUDGBIS-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CC1(O)CCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574523207 950814432 /nfs/dbraw/zinc/81/44/32/950814432.db2.gz MUTSTISIWHMRRH-WDEREUQCSA-N -1 3 375.433 0.513 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CC1(O)CCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574523207 950814451 /nfs/dbraw/zinc/81/44/51/950814451.db2.gz MUTSTISIWHMRRH-WDEREUQCSA-N -1 3 375.433 0.513 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1c(F)cncc1F ZINC001575010137 950814836 /nfs/dbraw/zinc/81/48/36/950814836.db2.gz BBRPHDBDRDYRDV-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1c(F)cncc1F ZINC001575010137 950814862 /nfs/dbraw/zinc/81/48/62/950814862.db2.gz BBRPHDBDRDYRDV-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001575010329 950816402 /nfs/dbraw/zinc/81/64/02/950816402.db2.gz DECPYMUPORQQTE-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM CC(C)(C)c1nnc(CN[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001573885122 950819379 /nfs/dbraw/zinc/81/93/79/950819379.db2.gz PMYZCGDXRUNGAI-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001573885122 950819394 /nfs/dbraw/zinc/81/93/94/950819394.db2.gz PMYZCGDXRUNGAI-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573885469 950828456 /nfs/dbraw/zinc/82/84/56/950828456.db2.gz RWFPJWNFNWZONH-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573885469 950828478 /nfs/dbraw/zinc/82/84/78/950828478.db2.gz RWFPJWNFNWZONH-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573885459 950830128 /nfs/dbraw/zinc/83/01/28/950830128.db2.gz ROVDROZHISJWCU-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573885459 950830156 /nfs/dbraw/zinc/83/01/56/950830156.db2.gz ROVDROZHISJWCU-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574766878 950831279 /nfs/dbraw/zinc/83/12/79/950831279.db2.gz NRLKTORVOBHXDJ-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766878 950831305 /nfs/dbraw/zinc/83/13/05/950831305.db2.gz NRLKTORVOBHXDJ-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001574187413 950835547 /nfs/dbraw/zinc/83/55/47/950835547.db2.gz PAWADMUHELKLGH-IUODEOHRSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001574187413 950835570 /nfs/dbraw/zinc/83/55/70/950835570.db2.gz PAWADMUHELKLGH-IUODEOHRSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)c1nc(CNC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)no1 ZINC001573885916 950838713 /nfs/dbraw/zinc/83/87/13/950838713.db2.gz XMPQWIFVOVPFHY-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM CC(C)(C)c1nc(CNC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)no1 ZINC001573885916 950838735 /nfs/dbraw/zinc/83/87/35/950838735.db2.gz XMPQWIFVOVPFHY-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ncc[nH]1 ZINC001574524118 950844639 /nfs/dbraw/zinc/84/46/39/950844639.db2.gz TYGOQXIJNXNRHV-QWRGUYRKSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ncc[nH]1 ZINC001574524118 950844660 /nfs/dbraw/zinc/84/46/60/950844660.db2.gz TYGOQXIJNXNRHV-QWRGUYRKSA-N -1 3 385.432 0.564 20 0 GCADHM CC1(C)C[C@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC001575638675 950846027 /nfs/dbraw/zinc/84/60/27/950846027.db2.gz IFQOBLLCVMNWOM-OLZOCXBDSA-N -1 3 379.442 0.372 20 0 GCADHM CC1(C)C[C@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC001575638675 950846049 /nfs/dbraw/zinc/84/60/49/950846049.db2.gz IFQOBLLCVMNWOM-OLZOCXBDSA-N -1 3 379.442 0.372 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575011257 950847915 /nfs/dbraw/zinc/84/79/15/950847915.db2.gz OCOARRFXKBMNHL-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575011257 950847934 /nfs/dbraw/zinc/84/79/34/950847934.db2.gz OCOARRFXKBMNHL-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001574188590 950848352 /nfs/dbraw/zinc/84/83/52/950848352.db2.gz WMPHVIDUXJUXKS-ZFWWWQNUSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001574188590 950848374 /nfs/dbraw/zinc/84/83/74/950848374.db2.gz WMPHVIDUXJUXKS-ZFWWWQNUSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccnn1C ZINC001574524187 950849139 /nfs/dbraw/zinc/84/91/39/950849139.db2.gz USNASNFXHMHOOT-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccnn1C ZINC001574524187 950849161 /nfs/dbraw/zinc/84/91/61/950849161.db2.gz USNASNFXHMHOOT-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001574188636 950853142 /nfs/dbraw/zinc/85/31/42/950853142.db2.gz YBULJXZATHDBTA-DZGCQCFKSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001574188636 950853162 /nfs/dbraw/zinc/85/31/62/950853162.db2.gz YBULJXZATHDBTA-DZGCQCFKSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1ccn(C)n1 ZINC001575934454 950857443 /nfs/dbraw/zinc/85/74/43/950857443.db2.gz RKLXFGOUAFJSGI-QMTHXVAHSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1ccn(C)n1 ZINC001575934454 950857470 /nfs/dbraw/zinc/85/74/70/950857470.db2.gz RKLXFGOUAFJSGI-QMTHXVAHSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC1CC1 ZINC001574524377 950859297 /nfs/dbraw/zinc/85/92/97/950859297.db2.gz VZUTYEVHVZMFJR-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC1CC1 ZINC001574524377 950859318 /nfs/dbraw/zinc/85/93/18/950859318.db2.gz VZUTYEVHVZMFJR-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)c1nsc(N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001573888133 950860995 /nfs/dbraw/zinc/86/09/95/950860995.db2.gz OKCAXJYJGHZEOK-QMMMGPOBSA-N -1 3 391.461 0.547 20 0 GCADHM CC(C)(C)c1nsc(N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001573888133 950861007 /nfs/dbraw/zinc/86/10/07/950861007.db2.gz OKCAXJYJGHZEOK-QMMMGPOBSA-N -1 3 391.461 0.547 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)c1cc(Cl)c(=O)[nH]n1 ZINC001575011981 950872576 /nfs/dbraw/zinc/87/25/76/950872576.db2.gz VBWSJEJMBZYIDM-ZETCQYMHSA-N -1 3 377.796 0.599 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)c1cc(Cl)c(=O)[nH]n1 ZINC001575011981 950872594 /nfs/dbraw/zinc/87/25/94/950872594.db2.gz VBWSJEJMBZYIDM-ZETCQYMHSA-N -1 3 377.796 0.599 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575011915 950873078 /nfs/dbraw/zinc/87/30/78/950873078.db2.gz UBFZRAVCLXXWKF-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cnn2c1CCC2 ZINC001575011915 950873099 /nfs/dbraw/zinc/87/30/99/950873099.db2.gz UBFZRAVCLXXWKF-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767917 950873367 /nfs/dbraw/zinc/87/33/67/950873367.db2.gz RPJZDEUBYNVHJP-CYBMUJFWSA-N -1 3 388.476 0.648 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767918 950873662 /nfs/dbraw/zinc/87/36/62/950873662.db2.gz RPJZDEUBYNVHJP-ZDUSSCGKSA-N -1 3 388.476 0.648 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573893344 950879666 /nfs/dbraw/zinc/87/96/66/950879666.db2.gz AQOWAJRQZKJYGE-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573893344 950879680 /nfs/dbraw/zinc/87/96/80/950879680.db2.gz AQOWAJRQZKJYGE-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573893374 950879814 /nfs/dbraw/zinc/87/98/14/950879814.db2.gz CEIXLGCYZJDDBN-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573893374 950879835 /nfs/dbraw/zinc/87/98/35/950879835.db2.gz CEIXLGCYZJDDBN-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001575012081 950880321 /nfs/dbraw/zinc/88/03/21/950880321.db2.gz VYYFHEYBKTXBSX-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001575012081 950880338 /nfs/dbraw/zinc/88/03/38/950880338.db2.gz VYYFHEYBKTXBSX-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)[C@@H](C)c1nnnn1C1CC1 ZINC001575012354 950883301 /nfs/dbraw/zinc/88/33/01/950883301.db2.gz YZBRRFROAIYPHR-UWVGGRQHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)[C@@H](C)c1nnnn1C1CC1 ZINC001575012354 950883318 /nfs/dbraw/zinc/88/33/18/950883318.db2.gz YZBRRFROAIYPHR-UWVGGRQHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575935558 950884214 /nfs/dbraw/zinc/88/42/14/950884214.db2.gz XXAPDYYVVCMYTM-LDYMZIIASA-N -1 3 385.363 0.199 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575935558 950884230 /nfs/dbraw/zinc/88/42/30/950884230.db2.gz XXAPDYYVVCMYTM-LDYMZIIASA-N -1 3 385.363 0.199 20 0 GCADHM CC(C)CCCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574189483 950885748 /nfs/dbraw/zinc/88/57/48/950885748.db2.gz LSPUZYIFZAODSW-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574189483 950885761 /nfs/dbraw/zinc/88/57/61/950885761.db2.gz LSPUZYIFZAODSW-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574527436 950886375 /nfs/dbraw/zinc/88/63/75/950886375.db2.gz BQURTUNNDAECHL-NXEZZACHSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574527436 950886391 /nfs/dbraw/zinc/88/63/91/950886391.db2.gz BQURTUNNDAECHL-NXEZZACHSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cccc2nccnc21 ZINC001575013591 950888136 /nfs/dbraw/zinc/88/81/36/950888136.db2.gz AOEVYCGUEOQGFD-JTQLQIEISA-N -1 3 391.395 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cccc2nccnc21 ZINC001575013591 950888153 /nfs/dbraw/zinc/88/81/53/950888153.db2.gz AOEVYCGUEOQGFD-JTQLQIEISA-N -1 3 391.395 0.686 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001575013652 950894045 /nfs/dbraw/zinc/89/40/45/950894045.db2.gz BPUCFIKYARYQBA-ZYHUDNBSSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001575013652 950894064 /nfs/dbraw/zinc/89/40/64/950894064.db2.gz BPUCFIKYARYQBA-ZYHUDNBSSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1Cc2ccncc2C1 ZINC001575014168 950897470 /nfs/dbraw/zinc/89/74/70/950897470.db2.gz FIXGIBLEPMVXLT-ZYHUDNBSSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1Cc2ccncc2C1 ZINC001575014168 950897490 /nfs/dbraw/zinc/89/74/90/950897490.db2.gz FIXGIBLEPMVXLT-ZYHUDNBSSA-N -1 3 380.412 0.239 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573893751 950898965 /nfs/dbraw/zinc/89/89/65/950898965.db2.gz USAQFBNCZWXOFH-NSHDSACASA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573893751 950898980 /nfs/dbraw/zinc/89/89/80/950898980.db2.gz USAQFBNCZWXOFH-NSHDSACASA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001573893805 950905885 /nfs/dbraw/zinc/90/58/85/950905885.db2.gz XKAOAZMDULOIOL-UHFFFAOYSA-N -1 3 387.473 0.889 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CN(C)c1ccccc1 ZINC001575014423 950906307 /nfs/dbraw/zinc/90/63/07/950906307.db2.gz FOXHQHYGKNBXMS-LBPRGKRZSA-N -1 3 382.428 0.566 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CN(C)c1ccccc1 ZINC001575014423 950906327 /nfs/dbraw/zinc/90/63/27/950906327.db2.gz FOXHQHYGKNBXMS-LBPRGKRZSA-N -1 3 382.428 0.566 20 0 GCADHM CC(C)[C@H](C)NC(=O)CN(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574769063 950909529 /nfs/dbraw/zinc/90/95/29/950909529.db2.gz ZDPXTIAKNKOLKX-RYUDHWBXSA-N -1 3 376.465 0.406 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575641115 950909980 /nfs/dbraw/zinc/90/99/80/950909980.db2.gz ADHSKGHWZNRRNT-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575641115 950910002 /nfs/dbraw/zinc/91/00/02/950910002.db2.gz ADHSKGHWZNRRNT-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)[C@@H](C)NC(=O)CN(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574769065 950912340 /nfs/dbraw/zinc/91/23/40/950912340.db2.gz ZDPXTIAKNKOLKX-VXGBXAGGSA-N -1 3 376.465 0.406 20 0 GCADHM CC(C)CCCC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574190751 950917877 /nfs/dbraw/zinc/91/78/77/950917877.db2.gz ZZELPCXQDILOSQ-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCCC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574190751 950917898 /nfs/dbraw/zinc/91/78/98/950917898.db2.gz ZZELPCXQDILOSQ-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573894009 950919997 /nfs/dbraw/zinc/91/99/97/950919997.db2.gz IOPLMIZHQBNJMT-LBPRGKRZSA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573894009 950920024 /nfs/dbraw/zinc/92/00/24/950920024.db2.gz IOPLMIZHQBNJMT-LBPRGKRZSA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CC2)nn1 ZINC001573894175 950922529 /nfs/dbraw/zinc/92/25/29/950922529.db2.gz PKSWFRMLLMXHCY-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM CC(C)(C)n1cc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CC2)nn1 ZINC001573894175 950922550 /nfs/dbraw/zinc/92/25/50/950922550.db2.gz PKSWFRMLLMXHCY-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)nn1 ZINC001573894109 950922712 /nfs/dbraw/zinc/92/27/12/950922712.db2.gz MEIFOYJQBMPCPV-UHFFFAOYSA-N -1 3 387.473 0.889 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCC1CCCC1 ZINC001575015221 950923001 /nfs/dbraw/zinc/92/30/01/950923001.db2.gz OJLNYKGUKQANRL-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCC1CCCC1 ZINC001575015221 950923015 /nfs/dbraw/zinc/92/30/15/950923015.db2.gz OJLNYKGUKQANRL-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cccn(C)c1=O ZINC001575936836 950925196 /nfs/dbraw/zinc/92/51/96/950925196.db2.gz IVVZXEUZHVOPKZ-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575936836 950925206 /nfs/dbraw/zinc/92/52/06/950925206.db2.gz IVVZXEUZHVOPKZ-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574191391 950926676 /nfs/dbraw/zinc/92/66/76/950926676.db2.gz HFJBADKGKWSDKS-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574191391 950926686 /nfs/dbraw/zinc/92/66/86/950926686.db2.gz HFJBADKGKWSDKS-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1(c2cccnc2)CC1 ZINC001575015293 950927828 /nfs/dbraw/zinc/92/78/28/950927828.db2.gz OQYARJJIMCMPMU-LLVKDONJSA-N -1 3 380.412 0.556 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1(c2cccnc2)CC1 ZINC001575015293 950927842 /nfs/dbraw/zinc/92/78/42/950927842.db2.gz OQYARJJIMCMPMU-LLVKDONJSA-N -1 3 380.412 0.556 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1COc2ccccc21 ZINC001575015339 950929302 /nfs/dbraw/zinc/92/93/02/950929302.db2.gz PMHBNHVKIIQOOE-CMPLNLGQSA-N -1 3 381.396 0.606 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1COc2ccccc21 ZINC001575015339 950929314 /nfs/dbraw/zinc/92/93/14/950929314.db2.gz PMHBNHVKIIQOOE-CMPLNLGQSA-N -1 3 381.396 0.606 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ccc(F)cc1F ZINC001575015231 950929546 /nfs/dbraw/zinc/92/95/46/950929546.db2.gz OLWXVUFVDDIYLA-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ccc(F)cc1F ZINC001575015231 950929558 /nfs/dbraw/zinc/92/95/58/950929558.db2.gz OLWXVUFVDDIYLA-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(N(C)C)ccn1 ZINC001575015438 950936164 /nfs/dbraw/zinc/93/61/64/950936164.db2.gz QOPOUYLBNPRJNL-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(N(C)C)ccn1 ZINC001575015438 950936179 /nfs/dbraw/zinc/93/61/79/950936179.db2.gz QOPOUYLBNPRJNL-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574528559 950937131 /nfs/dbraw/zinc/93/71/31/950937131.db2.gz NDHIKQZQSYHULA-YUMQZZPRSA-N -1 3 390.429 0.684 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574528559 950937143 /nfs/dbraw/zinc/93/71/43/950937143.db2.gz NDHIKQZQSYHULA-YUMQZZPRSA-N -1 3 390.429 0.684 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(N(C)C)cc1 ZINC001575015531 950939670 /nfs/dbraw/zinc/93/96/70/950939670.db2.gz SGXHPUSNRWTJJA-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(N(C)C)cc1 ZINC001575015531 950939685 /nfs/dbraw/zinc/93/96/85/950939685.db2.gz SGXHPUSNRWTJJA-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1c(F)cccc1F ZINC001575015599 950940714 /nfs/dbraw/zinc/94/07/14/950940714.db2.gz SLXAGLJEFPHEDJ-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1c(F)cccc1F ZINC001575015599 950940743 /nfs/dbraw/zinc/94/07/43/950940743.db2.gz SLXAGLJEFPHEDJ-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCOC1CCOCC1 ZINC001575015745 950942888 /nfs/dbraw/zinc/94/28/88/950942888.db2.gz WCMPPKFLAXPGIY-NSHDSACASA-N -1 3 391.432 0.015 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCOC1CCOCC1 ZINC001575015745 950942908 /nfs/dbraw/zinc/94/29/08/950942908.db2.gz WCMPPKFLAXPGIY-NSHDSACASA-N -1 3 391.432 0.015 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCc1ccccc1 ZINC001575015668 950944310 /nfs/dbraw/zinc/94/43/10/950944310.db2.gz UNJKAQUAULSQMC-LBPRGKRZSA-N -1 3 383.412 0.646 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCc1ccccc1 ZINC001575015668 950944325 /nfs/dbraw/zinc/94/43/25/950944325.db2.gz UNJKAQUAULSQMC-LBPRGKRZSA-N -1 3 383.412 0.646 20 0 GCADHM C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576228545 950946166 /nfs/dbraw/zinc/94/61/66/950946166.db2.gz KPEMHXGONGTERT-MNOVXSKESA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576228545 950946182 /nfs/dbraw/zinc/94/61/82/950946182.db2.gz KPEMHXGONGTERT-MNOVXSKESA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574194429 950950254 /nfs/dbraw/zinc/95/02/54/950950254.db2.gz YCWWWHLEDMCLEG-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574194429 950950265 /nfs/dbraw/zinc/95/02/65/950950265.db2.gz YCWWWHLEDMCLEG-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575642841 950951240 /nfs/dbraw/zinc/95/12/40/950951240.db2.gz IYLXLAZRWOCRSQ-LBPRGKRZSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575642841 950951256 /nfs/dbraw/zinc/95/12/56/950951256.db2.gz IYLXLAZRWOCRSQ-LBPRGKRZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CN(C(=O)C2(CF)CCC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576229043 950957721 /nfs/dbraw/zinc/95/77/21/950957721.db2.gz IOSRMLIAOMFCJN-GWCFXTLKSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H]1CN(C(=O)C2(CF)CCC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576229043 950957746 /nfs/dbraw/zinc/95/77/46/950957746.db2.gz IOSRMLIAOMFCJN-GWCFXTLKSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)[C@H](C)n1cncn1 ZINC001574772118 950960288 /nfs/dbraw/zinc/96/02/88/950960288.db2.gz PPQXTYUKJNCVMH-RYUDHWBXSA-N -1 3 387.423 0.795 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CCc1ncc[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574529843 950960389 /nfs/dbraw/zinc/96/03/89/950960389.db2.gz AQBIOAHSOJTXIL-WDEREUQCSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CCc1ncc[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574529843 950960403 /nfs/dbraw/zinc/96/04/03/950960403.db2.gz AQBIOAHSOJTXIL-WDEREUQCSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001575016004 950960232 /nfs/dbraw/zinc/96/02/32/950960232.db2.gz ZUWXQHMSUWSDCO-CMPLNLGQSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001575016004 950960239 /nfs/dbraw/zinc/96/02/39/950960239.db2.gz ZUWXQHMSUWSDCO-CMPLNLGQSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001575016860 950963149 /nfs/dbraw/zinc/96/31/49/950963149.db2.gz BIXIPPXKXHCTKJ-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001575016860 950963169 /nfs/dbraw/zinc/96/31/69/950963169.db2.gz BIXIPPXKXHCTKJ-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc(C2CC2)nc1 ZINC001575016898 950964654 /nfs/dbraw/zinc/96/46/54/950964654.db2.gz CEZVLOUJLOVIJK-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc(C2CC2)nc1 ZINC001575016898 950964675 /nfs/dbraw/zinc/96/46/75/950964675.db2.gz CEZVLOUJLOVIJK-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1snnc1C1CC1 ZINC001575017203 950979920 /nfs/dbraw/zinc/97/99/20/950979920.db2.gz HRSPTIQOZATRNW-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1snnc1C1CC1 ZINC001575017203 950979944 /nfs/dbraw/zinc/97/99/44/950979944.db2.gz HRSPTIQOZATRNW-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575643894 950980704 /nfs/dbraw/zinc/98/07/04/950980704.db2.gz QLURRQDBZJODRD-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575643894 950980715 /nfs/dbraw/zinc/98/07/15/950980715.db2.gz QLURRQDBZJODRD-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C2CCC2)c1 ZINC001575017226 950983411 /nfs/dbraw/zinc/98/34/11/950983411.db2.gz IDJJDCGPHMBJPS-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C2CCC2)c1 ZINC001575017226 950983425 /nfs/dbraw/zinc/98/34/25/950983425.db2.gz IDJJDCGPHMBJPS-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573899965 950990142 /nfs/dbraw/zinc/99/01/42/950990142.db2.gz MKNPKHZPWVVRLI-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573899965 950990149 /nfs/dbraw/zinc/99/01/49/950990149.db2.gz MKNPKHZPWVVRLI-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575938852 950991580 /nfs/dbraw/zinc/99/15/80/950991580.db2.gz OUBSCXJJGHDFBA-SMDDNHRTSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575938852 950991604 /nfs/dbraw/zinc/99/16/04/950991604.db2.gz OUBSCXJJGHDFBA-SMDDNHRTSA-N -1 3 384.444 0.531 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)CC(F)F ZINC001573900212 950998760 /nfs/dbraw/zinc/99/87/60/950998760.db2.gz VNZUPTQTDWHDSP-NEPJUHHUSA-N -1 3 395.414 0.999 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)CC(F)F ZINC001573900212 950998776 /nfs/dbraw/zinc/99/87/76/950998776.db2.gz VNZUPTQTDWHDSP-NEPJUHHUSA-N -1 3 395.414 0.999 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575644862 950999252 /nfs/dbraw/zinc/99/92/52/950999252.db2.gz YKYORLWJECUVKF-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575644862 950999266 /nfs/dbraw/zinc/99/92/66/950999266.db2.gz YKYORLWJECUVKF-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001574530950 951004674 /nfs/dbraw/zinc/00/46/74/951004674.db2.gz FBAZLZGOVWQQMN-GHMZBOCLSA-N -1 3 375.433 0.513 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001574530950 951004692 /nfs/dbraw/zinc/00/46/92/951004692.db2.gz FBAZLZGOVWQQMN-GHMZBOCLSA-N -1 3 375.433 0.513 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001574530952 951006274 /nfs/dbraw/zinc/00/62/74/951006274.db2.gz FBAZLZGOVWQQMN-QWRGUYRKSA-N -1 3 375.433 0.513 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001574530952 951006295 /nfs/dbraw/zinc/00/62/95/951006295.db2.gz FBAZLZGOVWQQMN-QWRGUYRKSA-N -1 3 375.433 0.513 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1csc(Cl)n1 ZINC001575017618 951006522 /nfs/dbraw/zinc/00/65/22/951006522.db2.gz MIGHIFQJDFKNPH-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1csc(Cl)n1 ZINC001575017618 951006541 /nfs/dbraw/zinc/00/65/41/951006541.db2.gz MIGHIFQJDFKNPH-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM CC1(C)C[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575646651 951007442 /nfs/dbraw/zinc/00/74/42/951007442.db2.gz BXXOLQNKTLWMSM-SGTLLEGYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575646651 951007461 /nfs/dbraw/zinc/00/74/61/951007461.db2.gz BXXOLQNKTLWMSM-SGTLLEGYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575018144 951014092 /nfs/dbraw/zinc/01/40/92/951014092.db2.gz LIIWJIRXZZTTLE-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575018144 951014107 /nfs/dbraw/zinc/01/41/07/951014107.db2.gz LIIWJIRXZZTTLE-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575018148 951015229 /nfs/dbraw/zinc/01/52/29/951015229.db2.gz LLRUEROEFATSJU-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575018148 951015244 /nfs/dbraw/zinc/01/52/44/951015244.db2.gz LLRUEROEFATSJU-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnc(C2CC2)n1 ZINC001575018304 951017646 /nfs/dbraw/zinc/01/76/46/951017646.db2.gz PGHNCMOIPGMIEL-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnc(C2CC2)n1 ZINC001575018304 951017662 /nfs/dbraw/zinc/01/76/62/951017662.db2.gz PGHNCMOIPGMIEL-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001575018812 951023654 /nfs/dbraw/zinc/02/36/54/951023654.db2.gz QUWRTWWFVSHHCR-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001575018812 951023669 /nfs/dbraw/zinc/02/36/69/951023669.db2.gz QUWRTWWFVSHHCR-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575018674 951024824 /nfs/dbraw/zinc/02/48/24/951024824.db2.gz OIHHBLHOBSWCKJ-VIFPVBQESA-N -1 3 384.375 0.730 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575018674 951024839 /nfs/dbraw/zinc/02/48/39/951024839.db2.gz OIHHBLHOBSWCKJ-VIFPVBQESA-N -1 3 384.375 0.730 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncc2n1CCCC2 ZINC001575018877 951026752 /nfs/dbraw/zinc/02/67/52/951026752.db2.gz REDSMQURKYAHCH-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncc2n1CCCC2 ZINC001575018877 951026767 /nfs/dbraw/zinc/02/67/67/951026767.db2.gz REDSMQURKYAHCH-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncc2n1CCCC2 ZINC001575018878 951028853 /nfs/dbraw/zinc/02/88/53/951028853.db2.gz REDSMQURKYAHCH-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncc2n1CCCC2 ZINC001575018878 951028870 /nfs/dbraw/zinc/02/88/70/951028870.db2.gz REDSMQURKYAHCH-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575019481 951036508 /nfs/dbraw/zinc/03/65/08/951036508.db2.gz TYVNWMDIAYSFTO-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575019481 951036517 /nfs/dbraw/zinc/03/65/17/951036517.db2.gz TYVNWMDIAYSFTO-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575019513 951040282 /nfs/dbraw/zinc/04/02/82/951040282.db2.gz UARDMJNLKAMVDH-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575019513 951040295 /nfs/dbraw/zinc/04/02/95/951040295.db2.gz UARDMJNLKAMVDH-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575025386 951129809 /nfs/dbraw/zinc/12/98/09/951129809.db2.gz YRPIYNRRPCQAFN-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575025386 951129815 /nfs/dbraw/zinc/12/98/15/951129815.db2.gz YRPIYNRRPCQAFN-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2ncn(C)c2n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575025893 951136370 /nfs/dbraw/zinc/13/63/70/951136370.db2.gz CMDYSSGSZDISAC-NSHDSACASA-N -1 3 392.427 0.798 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2ncn(C)c2n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575025893 951136374 /nfs/dbraw/zinc/13/63/74/951136374.db2.gz CMDYSSGSZDISAC-NSHDSACASA-N -1 3 392.427 0.798 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575026381 951143242 /nfs/dbraw/zinc/14/32/42/951143242.db2.gz IFMMCQDORYBSMU-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575026381 951143250 /nfs/dbraw/zinc/14/32/50/951143250.db2.gz IFMMCQDORYBSMU-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nc[nH]c2n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575026412 951143399 /nfs/dbraw/zinc/14/33/99/951143399.db2.gz JFLSZKSWELPIQB-JTQLQIEISA-N -1 3 378.400 0.788 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nc[nH]c2n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575026412 951143404 /nfs/dbraw/zinc/14/34/04/951143404.db2.gz JFLSZKSWELPIQB-JTQLQIEISA-N -1 3 378.400 0.788 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2nccnc21)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575026870 951148710 /nfs/dbraw/zinc/14/87/10/951148710.db2.gz AAJZEFNRXXBZJG-JTQLQIEISA-N -1 3 391.395 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2nccnc21)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575026870 951148718 /nfs/dbraw/zinc/14/87/18/951148718.db2.gz AAJZEFNRXXBZJG-JTQLQIEISA-N -1 3 391.395 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(=O)n1C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575027129 951153078 /nfs/dbraw/zinc/15/30/78/951153078.db2.gz PRNCMPJZJQPDPX-NSHDSACASA-N -1 3 385.403 0.959 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(=O)n1C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575027129 951153086 /nfs/dbraw/zinc/15/30/86/951153086.db2.gz PRNCMPJZJQPDPX-NSHDSACASA-N -1 3 385.403 0.959 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ncccc1-c1nnn[n-]1 ZINC001575027551 951161065 /nfs/dbraw/zinc/16/10/65/951161065.db2.gz RVQAAOYCZSUWEN-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ncccc1-c1nn[n-]n1 ZINC001575027551 951161072 /nfs/dbraw/zinc/16/10/72/951161072.db2.gz RVQAAOYCZSUWEN-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@H](CNC(=O)c1cccc2ncnn21)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575029784 951188718 /nfs/dbraw/zinc/18/87/18/951188718.db2.gz XXRMCHAUXDTFBB-SECBINFHSA-N -1 3 382.363 0.674 20 0 GCADHM C[C@H](CNC(=O)c1cccc2ncnn21)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575029784 951188725 /nfs/dbraw/zinc/18/87/25/951188725.db2.gz XXRMCHAUXDTFBB-SECBINFHSA-N -1 3 382.363 0.674 20 0 GCADHM C[C@@](CNC(=O)c1cccnc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575031641 951199155 /nfs/dbraw/zinc/19/91/55/951199155.db2.gz FWOSCBKLFUKKSW-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1cccnc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575031641 951199164 /nfs/dbraw/zinc/19/91/64/951199164.db2.gz FWOSCBKLFUKKSW-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575031726 951201496 /nfs/dbraw/zinc/20/14/96/951201496.db2.gz HSNKZSUETPBUKK-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575031726 951201508 /nfs/dbraw/zinc/20/15/08/951201508.db2.gz HSNKZSUETPBUKK-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cccn(C)c1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575031878 951207591 /nfs/dbraw/zinc/20/75/91/951207591.db2.gz KYELOAMZWSZDHD-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cccn(C)c1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575031878 951207600 /nfs/dbraw/zinc/20/76/00/951207600.db2.gz KYELOAMZWSZDHD-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc2c1ncn2C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575033754 951226611 /nfs/dbraw/zinc/22/66/11/951226611.db2.gz AAKSZCQUXZDJCJ-JTQLQIEISA-N -1 3 378.400 0.774 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc2c1ncn2C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575033754 951226619 /nfs/dbraw/zinc/22/66/19/951226619.db2.gz AAKSZCQUXZDJCJ-JTQLQIEISA-N -1 3 378.400 0.774 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1N(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575032538 951227687 /nfs/dbraw/zinc/22/76/87/951227687.db2.gz ZQWGYMBZULCKPE-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575032538 951227697 /nfs/dbraw/zinc/22/76/97/951227697.db2.gz ZQWGYMBZULCKPE-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@](CNC(=O)c1ccns1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575033913 951232994 /nfs/dbraw/zinc/23/29/94/951232994.db2.gz DWPWFXNXRGFNPX-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1ccns1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575033913 951233004 /nfs/dbraw/zinc/23/30/04/951233004.db2.gz DWPWFXNXRGFNPX-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575034340 951242995 /nfs/dbraw/zinc/24/29/95/951242995.db2.gz ASIKOUHQUWTKFH-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575034340 951243006 /nfs/dbraw/zinc/24/30/06/951243006.db2.gz ASIKOUHQUWTKFH-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1ncccc1-c1nnn[n-]1 ZINC001575034351 951243232 /nfs/dbraw/zinc/24/32/32/951243232.db2.gz MLQQGORHPCBBKM-VIFPVBQESA-N -1 3 377.359 0.954 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1ncccc1-c1nn[n-]n1 ZINC001575034351 951243238 /nfs/dbraw/zinc/24/32/38/951243238.db2.gz MLQQGORHPCBBKM-VIFPVBQESA-N -1 3 377.359 0.954 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575035265 951269274 /nfs/dbraw/zinc/26/92/74/951269274.db2.gz VBNTWOYAJOFWGF-VIFPVBQESA-N -1 3 377.359 0.954 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575035265 951269287 /nfs/dbraw/zinc/26/92/87/951269287.db2.gz VBNTWOYAJOFWGF-VIFPVBQESA-N -1 3 377.359 0.954 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(-n2ccnc2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575035822 951286777 /nfs/dbraw/zinc/28/67/77/951286777.db2.gz MHDUEWBSXRNYMU-LLVKDONJSA-N -1 3 391.399 0.468 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001575036045 951288750 /nfs/dbraw/zinc/28/87/50/951288750.db2.gz PISFMZZPAISHLU-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001575036045 951288758 /nfs/dbraw/zinc/28/87/58/951288758.db2.gz PISFMZZPAISHLU-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575036313 951290832 /nfs/dbraw/zinc/29/08/32/951290832.db2.gz RBQQCCFWWNVNSA-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575036313 951290847 /nfs/dbraw/zinc/29/08/47/951290847.db2.gz RBQQCCFWWNVNSA-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575036248 951291570 /nfs/dbraw/zinc/29/15/70/951291570.db2.gz PYTMAPCWZPYJJA-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575036248 951291579 /nfs/dbraw/zinc/29/15/79/951291579.db2.gz PYTMAPCWZPYJJA-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575036267 951291793 /nfs/dbraw/zinc/29/17/93/951291793.db2.gz QHMDSFULQFBLBN-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575036267 951291804 /nfs/dbraw/zinc/29/18/04/951291804.db2.gz QHMDSFULQFBLBN-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001575036449 951295708 /nfs/dbraw/zinc/29/57/08/951295708.db2.gz SCJMVBBPZGPAEJ-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001575036449 951295721 /nfs/dbraw/zinc/29/57/21/951295721.db2.gz SCJMVBBPZGPAEJ-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001575036877 951302006 /nfs/dbraw/zinc/30/20/06/951302006.db2.gz YGSGJWFMQVEMRE-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001575036877 951302008 /nfs/dbraw/zinc/30/20/08/951302008.db2.gz YGSGJWFMQVEMRE-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)N1CC[C@H]1CNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001602868480 971736631 /nfs/dbraw/zinc/73/66/31/971736631.db2.gz KVLJIHSVTUJZKF-ZFWWWQNUSA-N -1 3 380.489 0.966 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575041802 951352622 /nfs/dbraw/zinc/35/26/22/951352622.db2.gz CJUFSUSSMPLTGX-VIFPVBQESA-N -1 3 386.395 0.948 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575041802 951352639 /nfs/dbraw/zinc/35/26/39/951352639.db2.gz CJUFSUSSMPLTGX-VIFPVBQESA-N -1 3 386.395 0.948 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575042606 951367406 /nfs/dbraw/zinc/36/74/06/951367406.db2.gz LERMZLJIFVBWBA-MRVPVSSYSA-N -1 3 391.823 0.183 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575042606 951367419 /nfs/dbraw/zinc/36/74/19/951367419.db2.gz LERMZLJIFVBWBA-MRVPVSSYSA-N -1 3 391.823 0.183 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575042653 951370679 /nfs/dbraw/zinc/37/06/79/951370679.db2.gz LUESOVRQEILBKD-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575042653 951370693 /nfs/dbraw/zinc/37/06/93/951370693.db2.gz LUESOVRQEILBKD-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575042930 951375707 /nfs/dbraw/zinc/37/57/07/951375707.db2.gz DHPQYYAGYAATRR-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575042930 951375713 /nfs/dbraw/zinc/37/57/13/951375713.db2.gz DHPQYYAGYAATRR-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575042928 951376346 /nfs/dbraw/zinc/37/63/46/951376346.db2.gz DHPQYYAGYAATRR-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575042928 951376360 /nfs/dbraw/zinc/37/63/60/951376360.db2.gz DHPQYYAGYAATRR-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575043119 951384118 /nfs/dbraw/zinc/38/41/18/951384118.db2.gz FYAUOZCZDOYKFI-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575043119 951384129 /nfs/dbraw/zinc/38/41/29/951384129.db2.gz FYAUOZCZDOYKFI-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001575043346 951391225 /nfs/dbraw/zinc/39/12/25/951391225.db2.gz QSMMPRCQHFBWDK-RXMQYKEDSA-N -1 3 383.825 0.646 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043440 951393237 /nfs/dbraw/zinc/39/32/37/951393237.db2.gz JHICKJFUMQMVPY-BXKDBHETSA-N -1 3 384.404 0.462 20 0 GCADHM C[C@@H](CNC(=O)c1cn2ccccc2n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575043472 951394224 /nfs/dbraw/zinc/39/42/24/951394224.db2.gz JYIQKAJFTIWGSS-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cn2ccccc2n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575043472 951394233 /nfs/dbraw/zinc/39/42/33/951394233.db2.gz JYIQKAJFTIWGSS-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575044802 951417303 /nfs/dbraw/zinc/41/73/03/951417303.db2.gz VIIUCYRZANRJJH-LLVKDONJSA-N -1 3 382.432 0.596 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575044802 951417310 /nfs/dbraw/zinc/41/73/10/951417310.db2.gz VIIUCYRZANRJJH-LLVKDONJSA-N -1 3 382.432 0.596 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n[nH]nc2c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575044794 951418245 /nfs/dbraw/zinc/41/82/45/951418245.db2.gz VFFRFUFQEUHYCK-SECBINFHSA-N -1 3 379.388 0.183 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n[nH]nc2c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575044794 951418249 /nfs/dbraw/zinc/41/82/49/951418249.db2.gz VFFRFUFQEUHYCK-SECBINFHSA-N -1 3 379.388 0.183 20 0 GCADHM C[C@](CNC(=O)c1cnccn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575046704 951445203 /nfs/dbraw/zinc/44/52/03/951445203.db2.gz RFQJYOGSMMVBKQ-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cnccn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575046704 951445210 /nfs/dbraw/zinc/44/52/10/951445210.db2.gz RFQJYOGSMMVBKQ-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)n1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575052451 951464443 /nfs/dbraw/zinc/46/44/43/951464443.db2.gz JPANRBDTKSBINA-MRVPVSSYSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)n1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575052451 951464446 /nfs/dbraw/zinc/46/44/46/951464446.db2.gz JPANRBDTKSBINA-MRVPVSSYSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575052467 951467326 /nfs/dbraw/zinc/46/73/26/951467326.db2.gz JWZLJCZQJAGLOI-JTQLQIEISA-N -1 3 387.423 0.572 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001575053212 951476002 /nfs/dbraw/zinc/47/60/02/951476002.db2.gz RKPSHKCZDUMETD-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001575053212 951476011 /nfs/dbraw/zinc/47/60/11/951476011.db2.gz RKPSHKCZDUMETD-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001575053210 951476188 /nfs/dbraw/zinc/47/61/88/951476188.db2.gz RKPSHKCZDUMETD-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001575053210 951476192 /nfs/dbraw/zinc/47/61/92/951476192.db2.gz RKPSHKCZDUMETD-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575054525 951492189 /nfs/dbraw/zinc/49/21/89/951492189.db2.gz XSPMMLKFVKXJNJ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575054525 951492197 /nfs/dbraw/zinc/49/21/97/951492197.db2.gz XSPMMLKFVKXJNJ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1N)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575054565 951494421 /nfs/dbraw/zinc/49/44/21/951494421.db2.gz YHXINXGPUPOYDC-ZETCQYMHSA-N -1 3 376.812 0.461 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1N)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575054565 951494427 /nfs/dbraw/zinc/49/44/27/951494427.db2.gz YHXINXGPUPOYDC-ZETCQYMHSA-N -1 3 376.812 0.461 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575054668 951495924 /nfs/dbraw/zinc/49/59/24/951495924.db2.gz ZVAKYINTHWDZOE-MRVPVSSYSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575054668 951495931 /nfs/dbraw/zinc/49/59/31/951495931.db2.gz ZVAKYINTHWDZOE-MRVPVSSYSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575055048 951498082 /nfs/dbraw/zinc/49/80/82/951498082.db2.gz MMOMMLRERCPGSM-LLVKDONJSA-N -1 3 383.416 0.495 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575055048 951498085 /nfs/dbraw/zinc/49/80/85/951498085.db2.gz MMOMMLRERCPGSM-LLVKDONJSA-N -1 3 383.416 0.495 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575055593 951509540 /nfs/dbraw/zinc/50/95/40/951509540.db2.gz XYBIAQCACNIKLA-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575055593 951509545 /nfs/dbraw/zinc/50/95/45/951509545.db2.gz XYBIAQCACNIKLA-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1ncccc1-c1nnn[n-]1 ZINC001575056143 951515737 /nfs/dbraw/zinc/51/57/37/951515737.db2.gz FYOIDOGEBCFTAN-SECBINFHSA-N -1 3 391.413 0.489 20 0 GCADHM C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1ncccc1-c1nn[n-]n1 ZINC001575056143 951515742 /nfs/dbraw/zinc/51/57/42/951515742.db2.gz FYOIDOGEBCFTAN-SECBINFHSA-N -1 3 391.413 0.489 20 0 GCADHM C[C@@H](CNC(=O)c1csc(=O)[nH]1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575056037 951517005 /nfs/dbraw/zinc/51/70/05/951517005.db2.gz DTSGQTHLUNZXBS-ZETCQYMHSA-N -1 3 378.393 0.818 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575056207 951519423 /nfs/dbraw/zinc/51/94/23/951519423.db2.gz GNFAGBLHPUSUMB-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575056207 951519428 /nfs/dbraw/zinc/51/94/28/951519428.db2.gz GNFAGBLHPUSUMB-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM C[C@](CNC(=O)c1n[nH]cc1F)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575060621 951543622 /nfs/dbraw/zinc/54/36/22/951543622.db2.gz BJOCVIYFHVAOLI-MRXNPFEDSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@](CNC(=O)c1cscn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575060861 951550433 /nfs/dbraw/zinc/55/04/33/951550433.db2.gz IHVKJCSXBVIANK-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1cscn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575060861 951550443 /nfs/dbraw/zinc/55/04/43/951550443.db2.gz IHVKJCSXBVIANK-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1nc2ncccn2n1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575061969 951564252 /nfs/dbraw/zinc/56/42/52/951564252.db2.gz SEIZHSOAUBZMQY-VIFPVBQESA-N -1 3 382.363 0.674 20 0 GCADHM C[C@@H](CNC(=O)c1nc2ncccn2n1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575061969 951564257 /nfs/dbraw/zinc/56/42/57/951564257.db2.gz SEIZHSOAUBZMQY-VIFPVBQESA-N -1 3 382.363 0.674 20 0 GCADHM C[C@@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575062168 951567126 /nfs/dbraw/zinc/56/71/26/951567126.db2.gz UWFGGSPFNDUQFY-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575062168 951567131 /nfs/dbraw/zinc/56/71/31/951567131.db2.gz UWFGGSPFNDUQFY-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@](CNC(=O)c1cscn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575062426 951567924 /nfs/dbraw/zinc/56/79/24/951567924.db2.gz VXVVFRHNCBQPHX-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1cscn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575062426 951567930 /nfs/dbraw/zinc/56/79/30/951567930.db2.gz VXVVFRHNCBQPHX-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575064710 951575349 /nfs/dbraw/zinc/57/53/49/951575349.db2.gz CMCCSTBDBHJGQZ-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575064710 951575354 /nfs/dbraw/zinc/57/53/54/951575354.db2.gz CMCCSTBDBHJGQZ-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575064686 951577397 /nfs/dbraw/zinc/57/73/97/951577397.db2.gz CHWWRWBCRSDYEB-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575064686 951577407 /nfs/dbraw/zinc/57/74/07/951577407.db2.gz CHWWRWBCRSDYEB-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1ncccc1-c1nnn[n-]1 ZINC001575067275 951607009 /nfs/dbraw/zinc/60/70/09/951607009.db2.gz QBDNDCKRIRQXEO-SNVBAGLBSA-N -1 3 384.400 0.800 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1ncccc1-c1nn[n-]n1 ZINC001575067275 951607017 /nfs/dbraw/zinc/60/70/17/951607017.db2.gz QBDNDCKRIRQXEO-SNVBAGLBSA-N -1 3 384.400 0.800 20 0 GCADHM C[C@@](CNC(=O)c1ncccn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575067377 951608222 /nfs/dbraw/zinc/60/82/22/951608222.db2.gz LHZPCYFWGRRLHJ-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ncccn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575067377 951608233 /nfs/dbraw/zinc/60/82/33/951608233.db2.gz LHZPCYFWGRRLHJ-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575067460 951614606 /nfs/dbraw/zinc/61/46/06/951614606.db2.gz MGKFYQKLVKQARU-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575067460 951614610 /nfs/dbraw/zinc/61/46/10/951614610.db2.gz MGKFYQKLVKQARU-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575067731 951620690 /nfs/dbraw/zinc/62/06/90/951620690.db2.gz XFFTUDDYTQKVPA-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575067731 951620698 /nfs/dbraw/zinc/62/06/98/951620698.db2.gz XFFTUDDYTQKVPA-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575067821 951622542 /nfs/dbraw/zinc/62/25/42/951622542.db2.gz ZSBHRNCDMQYRQR-SNVBAGLBSA-N -1 3 384.400 0.577 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575067821 951622557 /nfs/dbraw/zinc/62/25/57/951622557.db2.gz ZSBHRNCDMQYRQR-SNVBAGLBSA-N -1 3 384.400 0.577 20 0 GCADHM C[C@H](CNC(=O)c1nccnc1C(N)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575068086 951630270 /nfs/dbraw/zinc/63/02/70/951630270.db2.gz XGIHEYLBNKNSLJ-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@H](CNC(=O)c1nccnc1C(N)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575068086 951630278 /nfs/dbraw/zinc/63/02/78/951630278.db2.gz XGIHEYLBNKNSLJ-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116501 951970199 /nfs/dbraw/zinc/97/01/99/951970199.db2.gz CXCPPPLOQBEBMO-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM C[C@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575116501 951970205 /nfs/dbraw/zinc/97/02/05/951970205.db2.gz CXCPPPLOQBEBMO-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM C[C@H](CNCc1nsc(N(C)C)n1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116297 951970538 /nfs/dbraw/zinc/97/05/38/951970538.db2.gz COEQDINESBDRCP-SECBINFHSA-N -1 3 390.477 0.268 20 0 GCADHM C[C@H](CNCc1nsc(N(C)C)n1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575116297 951970545 /nfs/dbraw/zinc/97/05/45/951970545.db2.gz COEQDINESBDRCP-SECBINFHSA-N -1 3 390.477 0.268 20 0 GCADHM C[C@@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116499 951971026 /nfs/dbraw/zinc/97/10/26/951971026.db2.gz CXCPPPLOQBEBMO-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM C[C@@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575116499 951971034 /nfs/dbraw/zinc/97/10/34/951971034.db2.gz CXCPPPLOQBEBMO-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM C[C@@H](CNCc1cn(CC2CC2)nn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116504 951971096 /nfs/dbraw/zinc/97/10/96/951971096.db2.gz CXDNZCDWILFZNC-NSHDSACASA-N -1 3 384.448 0.447 20 0 GCADHM C[C@@H](CNCc1ncnn1C(C)(C)C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116599 951972322 /nfs/dbraw/zinc/97/23/22/951972322.db2.gz FTRYSEHKZMCSCK-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNCc1ncnn1C(C)(C)C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575116599 951972327 /nfs/dbraw/zinc/97/23/27/951972327.db2.gz FTRYSEHKZMCSCK-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNCc1cn(C(C)(C)C)nn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575117065 951975734 /nfs/dbraw/zinc/97/57/34/951975734.db2.gz KXZCXPOZYZSZJD-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNCc1cn(C(C)(C)C)nn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575117065 951975742 /nfs/dbraw/zinc/97/57/42/951975742.db2.gz KXZCXPOZYZSZJD-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CNCc1ncnn1CCF)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575117700 951980867 /nfs/dbraw/zinc/98/08/67/951980867.db2.gz OTOPLUOQWMKZKC-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM C[C@H](CNc1cc(Cl)c(=O)[nH]n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575121179 951995217 /nfs/dbraw/zinc/99/52/17/951995217.db2.gz CSQDLOJJKPYMAQ-SSDOTTSWSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@H](CNc1cc(Cl)c(=O)[nH]n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575121179 951995220 /nfs/dbraw/zinc/99/52/20/951995220.db2.gz CSQDLOJJKPYMAQ-SSDOTTSWSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575122225 952002986 /nfs/dbraw/zinc/00/29/86/952002986.db2.gz KMDCCIZHMJOFAB-GXTWGEPZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575122225 952002999 /nfs/dbraw/zinc/00/29/99/952002999.db2.gz KMDCCIZHMJOFAB-GXTWGEPZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575122227 952003298 /nfs/dbraw/zinc/00/32/98/952003298.db2.gz KMDCCIZHMJOFAB-OCCSQVGLSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575122227 952003309 /nfs/dbraw/zinc/00/33/09/952003309.db2.gz KMDCCIZHMJOFAB-OCCSQVGLSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575122222 952003612 /nfs/dbraw/zinc/00/36/12/952003612.db2.gz KLIACGSBEFDYES-RDTXWAMCSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575122222 952003614 /nfs/dbraw/zinc/00/36/14/952003614.db2.gz KLIACGSBEFDYES-RDTXWAMCSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1ccnn1C ZINC001575122575 952004463 /nfs/dbraw/zinc/00/44/63/952004463.db2.gz LQOCVXWPSCPCAQ-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1ccnn1C ZINC001575122575 952004471 /nfs/dbraw/zinc/00/44/71/952004471.db2.gz LQOCVXWPSCPCAQ-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575123012 952009723 /nfs/dbraw/zinc/00/97/23/952009723.db2.gz BTONXGQHBAMQTE-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575123012 952009726 /nfs/dbraw/zinc/00/97/26/952009726.db2.gz BTONXGQHBAMQTE-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575124071 952021797 /nfs/dbraw/zinc/02/17/97/952021797.db2.gz FRJWWBGLHNQPJP-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575124071 952021803 /nfs/dbraw/zinc/02/18/03/952021803.db2.gz FRJWWBGLHNQPJP-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575124829 952036691 /nfs/dbraw/zinc/03/66/91/952036691.db2.gz LLWMJYHDSNWJMM-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575124829 952036698 /nfs/dbraw/zinc/03/66/98/952036698.db2.gz LLWMJYHDSNWJMM-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575125125 952037543 /nfs/dbraw/zinc/03/75/43/952037543.db2.gz XNUAHADEPUYGNX-JSGCOSHPSA-N -1 3 386.460 0.920 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575125125 952037549 /nfs/dbraw/zinc/03/75/49/952037549.db2.gz XNUAHADEPUYGNX-JSGCOSHPSA-N -1 3 386.460 0.920 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC1 ZINC001575125124 952038906 /nfs/dbraw/zinc/03/89/06/952038906.db2.gz MJYCAMVGTHUXBT-UFYHVXEKSA-N -1 3 398.471 0.860 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC1 ZINC001575125124 952038911 /nfs/dbraw/zinc/03/89/11/952038911.db2.gz MJYCAMVGTHUXBT-UFYHVXEKSA-N -1 3 398.471 0.860 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575125356 952042637 /nfs/dbraw/zinc/04/26/37/952042637.db2.gz XVWVWQHJSXTLRI-UGSOOPFHSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575125356 952042645 /nfs/dbraw/zinc/04/26/45/952042645.db2.gz XVWVWQHJSXTLRI-UGSOOPFHSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575125582 952045210 /nfs/dbraw/zinc/04/52/10/952045210.db2.gz ORILCMVKXBZKDD-JTQLQIEISA-N -1 3 381.462 0.344 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575125582 952045216 /nfs/dbraw/zinc/04/52/16/952045216.db2.gz ORILCMVKXBZKDD-JTQLQIEISA-N -1 3 381.462 0.344 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575125614 952045570 /nfs/dbraw/zinc/04/55/70/952045570.db2.gz OZAFGZBYGNUWAB-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575125614 952045579 /nfs/dbraw/zinc/04/55/79/952045579.db2.gz OZAFGZBYGNUWAB-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575126074 952048987 /nfs/dbraw/zinc/04/89/87/952048987.db2.gz QZSZAKHAEQXFPJ-KRWDZBQOSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2ncccn2n1 ZINC001575126586 952050309 /nfs/dbraw/zinc/05/03/09/952050309.db2.gz TTYCQLBUFNHYSR-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2ncccn2n1 ZINC001575126586 952050315 /nfs/dbraw/zinc/05/03/15/952050315.db2.gz TTYCQLBUFNHYSR-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575128606 952069034 /nfs/dbraw/zinc/06/90/34/952069034.db2.gz KALLUICMRQRVRB-JTQLQIEISA-N -1 3 384.400 0.455 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575128606 952069042 /nfs/dbraw/zinc/06/90/42/952069042.db2.gz KALLUICMRQRVRB-JTQLQIEISA-N -1 3 384.400 0.455 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575128449 952069351 /nfs/dbraw/zinc/06/93/51/952069351.db2.gz ITFOHZRUHSFUKD-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575128449 952069362 /nfs/dbraw/zinc/06/93/62/952069362.db2.gz ITFOHZRUHSFUKD-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575128825 952072828 /nfs/dbraw/zinc/07/28/28/952072828.db2.gz MVWBKIHFSHHWPT-NSHDSACASA-N -1 3 381.462 0.344 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575128825 952072836 /nfs/dbraw/zinc/07/28/36/952072836.db2.gz MVWBKIHFSHHWPT-NSHDSACASA-N -1 3 381.462 0.344 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575129027 952075063 /nfs/dbraw/zinc/07/50/63/952075063.db2.gz OZAZNJAICGZQAB-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575129027 952075068 /nfs/dbraw/zinc/07/50/68/952075068.db2.gz OZAZNJAICGZQAB-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575129026 952075561 /nfs/dbraw/zinc/07/55/61/952075561.db2.gz OZAZNJAICGZQAB-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575129026 952075567 /nfs/dbraw/zinc/07/55/67/952075567.db2.gz OZAZNJAICGZQAB-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575133384 952104442 /nfs/dbraw/zinc/10/44/42/952104442.db2.gz KJVVKIZKVBLVLN-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575134389 952110435 /nfs/dbraw/zinc/11/04/35/952110435.db2.gz HSFSSTTZGQNTEZ-SNVBAGLBSA-N -1 3 388.407 0.616 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575134389 952110441 /nfs/dbraw/zinc/11/04/41/952110441.db2.gz HSFSSTTZGQNTEZ-SNVBAGLBSA-N -1 3 388.407 0.616 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575135220 952116386 /nfs/dbraw/zinc/11/63/86/952116386.db2.gz LHDVPQMAKVORSE-GHMZBOCLSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575135220 952116392 /nfs/dbraw/zinc/11/63/92/952116392.db2.gz LHDVPQMAKVORSE-GHMZBOCLSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CCN1CCOCC1 ZINC001575136878 952129002 /nfs/dbraw/zinc/12/90/02/952129002.db2.gz QOFZQOCEYORUES-ZDUSSCGKSA-N -1 3 391.451 0.987 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CCN1CCOCC1 ZINC001575136878 952129005 /nfs/dbraw/zinc/12/90/05/952129005.db2.gz QOFZQOCEYORUES-ZDUSSCGKSA-N -1 3 391.451 0.987 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575137084 952134222 /nfs/dbraw/zinc/13/42/22/952134222.db2.gz TZTIOBDZZIYEHN-GXFFZTMASA-N -1 3 375.408 0.885 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575137084 952134226 /nfs/dbraw/zinc/13/42/26/952134226.db2.gz TZTIOBDZZIYEHN-GXFFZTMASA-N -1 3 375.408 0.885 20 0 GCADHM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575153864 952213074 /nfs/dbraw/zinc/21/30/74/952213074.db2.gz LQLZGXIRKHCPQS-OAHLLOKOSA-N -1 3 387.429 0.829 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575153943 952215474 /nfs/dbraw/zinc/21/54/74/952215474.db2.gz MLWQIQCBZMSHAH-MNOVXSKESA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575154534 952226055 /nfs/dbraw/zinc/22/60/55/952226055.db2.gz RXVMMUGLRZJASJ-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCN1CCOCC1 ZINC001575163408 952278215 /nfs/dbraw/zinc/27/82/15/952278215.db2.gz BWTILHJQDIPNHU-LBPRGKRZSA-N -1 3 392.439 0.382 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCN1CCOCC1 ZINC001575163408 952278221 /nfs/dbraw/zinc/27/82/21/952278221.db2.gz BWTILHJQDIPNHU-LBPRGKRZSA-N -1 3 392.439 0.382 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575164006 952285018 /nfs/dbraw/zinc/28/50/18/952285018.db2.gz HDDBUTHLSKSQAK-WDEREUQCSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575164006 952285026 /nfs/dbraw/zinc/28/50/26/952285026.db2.gz HDDBUTHLSKSQAK-WDEREUQCSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1cn(C)nn1 ZINC001575164048 952285221 /nfs/dbraw/zinc/28/52/21/952285221.db2.gz BEIWJHBOMYTTAW-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1cn(C)nn1 ZINC001575164048 952285228 /nfs/dbraw/zinc/28/52/28/952285228.db2.gz BEIWJHBOMYTTAW-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1cn(C)ccc1=O ZINC001575164181 952287942 /nfs/dbraw/zinc/28/79/42/952287942.db2.gz JGARFLGVYAFOBR-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cn(C)ccc1=O ZINC001575164181 952287948 /nfs/dbraw/zinc/28/79/48/952287948.db2.gz JGARFLGVYAFOBR-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCCn1cncn1 ZINC001575164159 952289062 /nfs/dbraw/zinc/28/90/62/952289062.db2.gz IYLDNWWCWWCVRT-NSHDSACASA-N -1 3 388.411 0.732 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCCn1cncn1 ZINC001575164159 952289066 /nfs/dbraw/zinc/28/90/66/952289066.db2.gz IYLDNWWCWWCVRT-NSHDSACASA-N -1 3 388.411 0.732 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CN1CCCC1=O ZINC001575164258 952290400 /nfs/dbraw/zinc/29/04/00/952290400.db2.gz JVCKJTOMTIKPGD-SNVBAGLBSA-N -1 3 376.396 0.282 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CN1CCCC1=O ZINC001575164258 952290405 /nfs/dbraw/zinc/29/04/05/952290405.db2.gz JVCKJTOMTIKPGD-SNVBAGLBSA-N -1 3 376.396 0.282 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575164264 952290589 /nfs/dbraw/zinc/29/05/89/952290589.db2.gz JVQMCAKHOBGKIK-ONGXEEELSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575164264 952290597 /nfs/dbraw/zinc/29/05/97/952290597.db2.gz JVQMCAKHOBGKIK-ONGXEEELSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)Cc1nnc[nH]1 ZINC001575164842 952301232 /nfs/dbraw/zinc/30/12/32/952301232.db2.gz IFBUQISSPZFFJW-MRVPVSSYSA-N -1 3 376.812 0.535 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575165043 952301936 /nfs/dbraw/zinc/30/19/36/952301936.db2.gz QHCDUMBQFAYKPI-XIKOKIGWSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575165043 952301946 /nfs/dbraw/zinc/30/19/46/952301946.db2.gz QHCDUMBQFAYKPI-XIKOKIGWSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575165354 952308359 /nfs/dbraw/zinc/30/83/59/952308359.db2.gz NWVCWSHIPMXYTH-GZMMTYOYSA-N -1 3 378.824 0.453 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575165354 952308365 /nfs/dbraw/zinc/30/83/65/952308365.db2.gz NWVCWSHIPMXYTH-GZMMTYOYSA-N -1 3 378.824 0.453 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CN1CCCNC1=O ZINC001575165731 952313199 /nfs/dbraw/zinc/31/31/99/952313199.db2.gz VTXYKLKEXUSJGE-SNVBAGLBSA-N -1 3 391.411 0.075 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CN1CCCNC1=O ZINC001575165731 952313210 /nfs/dbraw/zinc/31/32/10/952313210.db2.gz VTXYKLKEXUSJGE-SNVBAGLBSA-N -1 3 391.411 0.075 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CN1CCCNC1=O ZINC001575165730 952313573 /nfs/dbraw/zinc/31/35/73/952313573.db2.gz VTXYKLKEXUSJGE-JTQLQIEISA-N -1 3 391.411 0.075 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CN1CCCNC1=O ZINC001575165730 952313589 /nfs/dbraw/zinc/31/35/89/952313589.db2.gz VTXYKLKEXUSJGE-JTQLQIEISA-N -1 3 391.411 0.075 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575165678 952313945 /nfs/dbraw/zinc/31/39/45/952313945.db2.gz QOVMAZYJZYSYNJ-NXEZZACHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575165678 952313952 /nfs/dbraw/zinc/31/39/52/952313952.db2.gz QOVMAZYJZYSYNJ-NXEZZACHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575165934 952317864 /nfs/dbraw/zinc/31/78/64/952317864.db2.gz XEQKWAVVIVPUKO-GXFFZTMASA-N -1 3 390.423 0.671 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575165934 952317869 /nfs/dbraw/zinc/31/78/69/952317869.db2.gz XEQKWAVVIVPUKO-GXFFZTMASA-N -1 3 390.423 0.671 20 0 GCADHM C[C@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)CCCC(N)=O)C1CC1 ZINC001575166697 952325584 /nfs/dbraw/zinc/32/55/84/952325584.db2.gz XKMCCGBRIQOIAN-QGZVFWFLSA-N -1 3 390.423 0.753 20 0 GCADHM C[C@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)CCCC(N)=O)C1CC1 ZINC001575166697 952325591 /nfs/dbraw/zinc/32/55/91/952325591.db2.gz XKMCCGBRIQOIAN-QGZVFWFLSA-N -1 3 390.423 0.753 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575167490 952336164 /nfs/dbraw/zinc/33/61/64/952336164.db2.gz HEEUQTXXPWPVEF-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575167490 952336171 /nfs/dbraw/zinc/33/61/71/952336171.db2.gz HEEUQTXXPWPVEF-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575168857 952345651 /nfs/dbraw/zinc/34/56/51/952345651.db2.gz OMUKEFJUJIXVSI-KRWDZBQOSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575168857 952345657 /nfs/dbraw/zinc/34/56/57/952345657.db2.gz OMUKEFJUJIXVSI-KRWDZBQOSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575170038 952352164 /nfs/dbraw/zinc/35/21/64/952352164.db2.gz VXJCQCSMBXFWQS-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575170038 952352171 /nfs/dbraw/zinc/35/21/71/952352171.db2.gz VXJCQCSMBXFWQS-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCn1ccccc1=O ZINC001575170259 952354233 /nfs/dbraw/zinc/35/42/33/952354233.db2.gz WXGVQIGLPFZNSA-ZDUSSCGKSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCn1ccccc1=O ZINC001575170259 952354237 /nfs/dbraw/zinc/35/42/37/952354237.db2.gz WXGVQIGLPFZNSA-ZDUSSCGKSA-N -1 3 382.428 0.773 20 0 GCADHM CC(CO)(CO)CNC(=O)N[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001575180598 952419761 /nfs/dbraw/zinc/41/97/61/952419761.db2.gz WJJCRSMAIACNPK-NSHDSACASA-N -1 3 388.350 0.760 20 0 GCADHM CC(CO)(CO)CNC(=O)N[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001575180598 952419766 /nfs/dbraw/zinc/41/97/66/952419766.db2.gz WJJCRSMAIACNPK-NSHDSACASA-N -1 3 388.350 0.760 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575184698 952422853 /nfs/dbraw/zinc/42/28/53/952422853.db2.gz AGAWTQCEUUHXAM-LBPRGKRZSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575184698 952422857 /nfs/dbraw/zinc/42/28/57/952422857.db2.gz AGAWTQCEUUHXAM-LBPRGKRZSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575184746 952423388 /nfs/dbraw/zinc/42/33/88/952423388.db2.gz BLVFYLWYIYQNNK-MNOVXSKESA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575184746 952423391 /nfs/dbraw/zinc/42/33/91/952423391.db2.gz BLVFYLWYIYQNNK-MNOVXSKESA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575184807 952424662 /nfs/dbraw/zinc/42/46/62/952424662.db2.gz CXSBMKBFIOQOCG-GFCCVEGCSA-N -1 3 392.485 0.190 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575184807 952424665 /nfs/dbraw/zinc/42/46/65/952424665.db2.gz CXSBMKBFIOQOCG-GFCCVEGCSA-N -1 3 392.485 0.190 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001575185126 952428628 /nfs/dbraw/zinc/42/86/28/952428628.db2.gz LLPLIXLGWZIZNM-NSHDSACASA-N -1 3 394.457 0.525 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001575185126 952428631 /nfs/dbraw/zinc/42/86/31/952428631.db2.gz LLPLIXLGWZIZNM-NSHDSACASA-N -1 3 394.457 0.525 20 0 GCADHM C[C@@H](CS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001575185142 952429343 /nfs/dbraw/zinc/42/93/43/952429343.db2.gz LSPGHDPZQHWHHO-LBPRGKRZSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@@H](CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001575185142 952429345 /nfs/dbraw/zinc/42/93/45/952429345.db2.gz LSPGHDPZQHWHHO-LBPRGKRZSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575185290 952431899 /nfs/dbraw/zinc/43/18/99/952431899.db2.gz OWJQDOMFBYLSOY-WFASDCNBSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575185290 952431900 /nfs/dbraw/zinc/43/19/00/952431900.db2.gz OWJQDOMFBYLSOY-WFASDCNBSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575187474 952440816 /nfs/dbraw/zinc/44/08/16/952440816.db2.gz CBUYPJWXBCONPH-LLVKDONJSA-N -1 3 383.412 0.855 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575187474 952440819 /nfs/dbraw/zinc/44/08/19/952440819.db2.gz CBUYPJWXBCONPH-LLVKDONJSA-N -1 3 383.412 0.855 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 ZINC001575187602 952441989 /nfs/dbraw/zinc/44/19/89/952441989.db2.gz DIYWBJGGWZSMAT-CORIIIEPSA-N -1 3 392.485 0.619 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 ZINC001575187602 952441997 /nfs/dbraw/zinc/44/19/97/952441997.db2.gz DIYWBJGGWZSMAT-CORIIIEPSA-N -1 3 392.485 0.619 20 0 GCADHM O=C(c1cc(C(F)F)n[nH]1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571114141 952449320 /nfs/dbraw/zinc/44/93/20/952449320.db2.gz BXLADLHLEYKBLM-UHFFFAOYSA-N -1 3 375.343 0.885 20 0 GCADHM O=C(c1cc(C(F)F)n[nH]1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571114141 952449323 /nfs/dbraw/zinc/44/93/23/952449323.db2.gz BXLADLHLEYKBLM-UHFFFAOYSA-N -1 3 375.343 0.885 20 0 GCADHM CC(C)(C)OC(=O)[C@@]1(NC(=O)Nc2ccc(-c3nnn[n-]3)cn2)CCOC1 ZINC001571114240 952451848 /nfs/dbraw/zinc/45/18/48/952451848.db2.gz FFACXNBCTLSLAE-MRXNPFEDSA-N -1 3 375.389 0.884 20 0 GCADHM CC(C)(C)OC(=O)[C@@]1(NC(=O)Nc2ccc(-c3nn[n-]n3)cn2)CCOC1 ZINC001571114240 952451855 /nfs/dbraw/zinc/45/18/55/952451855.db2.gz FFACXNBCTLSLAE-MRXNPFEDSA-N -1 3 375.389 0.884 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001575189052 952454352 /nfs/dbraw/zinc/45/43/52/952454352.db2.gz NACHSLSKCHHPHP-CYBMUJFWSA-N -1 3 385.428 0.966 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001575189052 952454359 /nfs/dbraw/zinc/45/43/59/952454359.db2.gz NACHSLSKCHHPHP-CYBMUJFWSA-N -1 3 385.428 0.966 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@H]2CCNC2=O)c(-c2nnn[n-]2)cn1CC ZINC001571114517 952455901 /nfs/dbraw/zinc/45/59/01/952455901.db2.gz JVIFOUNRXZDGMW-SECBINFHSA-N -1 3 375.389 0.330 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@H]2CCNC2=O)c(-c2nn[n-]n2)cn1CC ZINC001571114517 952455904 /nfs/dbraw/zinc/45/59/04/952455904.db2.gz JVIFOUNRXZDGMW-SECBINFHSA-N -1 3 375.389 0.330 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575189776 952458548 /nfs/dbraw/zinc/45/85/48/952458548.db2.gz QHHLGATYFNJNNC-OCCSQVGLSA-N -1 3 385.428 0.965 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575189776 952458554 /nfs/dbraw/zinc/45/85/54/952458554.db2.gz QHHLGATYFNJNNC-OCCSQVGLSA-N -1 3 385.428 0.965 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H](c2ncccn2)C1 ZINC001571114675 952459108 /nfs/dbraw/zinc/45/91/08/952459108.db2.gz LJZOAUKFLHWITB-SNVBAGLBSA-N -1 3 375.389 0.974 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001571114672 952459116 /nfs/dbraw/zinc/45/91/16/952459116.db2.gz LHSJVUVYICUVMS-SECBINFHSA-N -1 3 375.343 0.614 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001571114672 952459120 /nfs/dbraw/zinc/45/91/20/952459120.db2.gz LHSJVUVYICUVMS-SECBINFHSA-N -1 3 375.343 0.614 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1ccn(C(F)F)n1 ZINC001571115192 952464400 /nfs/dbraw/zinc/46/44/00/952464400.db2.gz RRCNJSXBJQYGET-SECBINFHSA-N -1 3 375.343 0.862 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1ccn(C(F)F)n1 ZINC001571115192 952464402 /nfs/dbraw/zinc/46/44/02/952464402.db2.gz RRCNJSXBJQYGET-SECBINFHSA-N -1 3 375.343 0.862 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575191057 952466637 /nfs/dbraw/zinc/46/66/37/952466637.db2.gz WNEXJEQFXMVMNX-NSHDSACASA-N -1 3 383.412 0.855 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575191057 952466642 /nfs/dbraw/zinc/46/66/42/952466642.db2.gz WNEXJEQFXMVMNX-NSHDSACASA-N -1 3 383.412 0.855 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1=COCCO1 ZINC001571115565 952468216 /nfs/dbraw/zinc/46/82/16/952468216.db2.gz YCCRYDCGIJQING-NSHDSACASA-N -1 3 375.364 0.374 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1=COCCO1 ZINC001571115565 952468220 /nfs/dbraw/zinc/46/82/20/952468220.db2.gz YCCRYDCGIJQING-NSHDSACASA-N -1 3 375.364 0.374 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001575191824 952469784 /nfs/dbraw/zinc/46/97/84/952469784.db2.gz YVBWGUWYEDOGPJ-CYBMUJFWSA-N -1 3 385.428 0.966 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001575191824 952469786 /nfs/dbraw/zinc/46/97/86/952469786.db2.gz YVBWGUWYEDOGPJ-CYBMUJFWSA-N -1 3 385.428 0.966 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575191950 952471148 /nfs/dbraw/zinc/47/11/48/952471148.db2.gz ZNNANQQZMBAMGT-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575191950 952471150 /nfs/dbraw/zinc/47/11/50/952471150.db2.gz ZNNANQQZMBAMGT-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575195385 952472192 /nfs/dbraw/zinc/47/21/92/952472192.db2.gz APZURYQUJBWOAG-GFCCVEGCSA-N -1 3 383.412 0.951 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575195385 952472194 /nfs/dbraw/zinc/47/21/94/952472194.db2.gz APZURYQUJBWOAG-GFCCVEGCSA-N -1 3 383.412 0.951 20 0 GCADHM O=C(NC[C@@H]1COCCN1CC[C@@H]1CCOC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571116607 952475608 /nfs/dbraw/zinc/47/56/08/952475608.db2.gz AHWSKHICAXKDEF-TZMCWYRMSA-N -1 3 375.433 0.052 20 0 GCADHM O=C(NC[C@@H]1COCCN1CC[C@@H]1CCOC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571116607 952475609 /nfs/dbraw/zinc/47/56/09/952475609.db2.gz AHWSKHICAXKDEF-TZMCWYRMSA-N -1 3 375.433 0.052 20 0 GCADHM CN(C(=O)[C@@H]1CCC(=O)N1C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571116623 952475981 /nfs/dbraw/zinc/47/59/81/952475981.db2.gz AOLUIFCTLYXNNS-LBPRGKRZSA-N -1 3 375.458 0.192 20 0 GCADHM CSCC(=O)N1CC[C@@]2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCC[C@@H]12 ZINC001571116672 952476444 /nfs/dbraw/zinc/47/64/44/952476444.db2.gz BWAQFQRWFXSTIB-WBMJQRKESA-N -1 3 375.458 0.811 20 0 GCADHM CSCC(=O)N1CC[C@@]2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC[C@@H]12 ZINC001571116672 952476448 /nfs/dbraw/zinc/47/64/48/952476448.db2.gz BWAQFQRWFXSTIB-WBMJQRKESA-N -1 3 375.458 0.811 20 0 GCADHM O=C(N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1(F)CCOCC1 ZINC001571116637 952476614 /nfs/dbraw/zinc/47/66/14/952476614.db2.gz AUVXWQRFFZPHII-UHFFFAOYSA-N -1 3 375.408 0.819 20 0 GCADHM O=C(N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1(F)CCOCC1 ZINC001571116637 952476625 /nfs/dbraw/zinc/47/66/25/952476625.db2.gz AUVXWQRFFZPHII-UHFFFAOYSA-N -1 3 375.408 0.819 20 0 GCADHM CCOc1nc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)co1 ZINC001571116657 952476962 /nfs/dbraw/zinc/47/69/62/952476962.db2.gz BLZMWTFLOCXQCX-UHFFFAOYSA-N -1 3 375.414 0.929 20 0 GCADHM Cc1nonc1C(=O)NC[C@@H]1CCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001571116863 952477723 /nfs/dbraw/zinc/47/77/23/952477723.db2.gz FCYNPLZVUJMCRO-VIFPVBQESA-N -1 3 375.418 0.722 20 0 GCADHM CC[C@H](CN1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2)OC ZINC001571116851 952478033 /nfs/dbraw/zinc/47/80/33/952478033.db2.gz FBBBGUDNFONDEB-CYBMUJFWSA-N -1 3 375.433 0.147 20 0 GCADHM CC[C@H](CN1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2)OC ZINC001571116851 952478038 /nfs/dbraw/zinc/47/80/38/952478038.db2.gz FBBBGUDNFONDEB-CYBMUJFWSA-N -1 3 375.433 0.147 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H](F)C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571117179 952480761 /nfs/dbraw/zinc/48/07/61/952480761.db2.gz IBRNOTWJZOIEQX-UKJIMTQDSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H](F)C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571117179 952480767 /nfs/dbraw/zinc/48/07/67/952480767.db2.gz IBRNOTWJZOIEQX-UKJIMTQDSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(CC1CCOCC1)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571117298 952480818 /nfs/dbraw/zinc/48/08/18/952480818.db2.gz INIMAYNBXSUFQP-ZDUSSCGKSA-N -1 3 375.408 0.912 20 0 GCADHM O=C(CC1CCOCC1)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571117298 952480825 /nfs/dbraw/zinc/48/08/25/952480825.db2.gz INIMAYNBXSUFQP-ZDUSSCGKSA-N -1 3 375.408 0.912 20 0 GCADHM CS[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571117530 952482099 /nfs/dbraw/zinc/48/20/99/952482099.db2.gz MHRUCWPKPUJSTL-GIPNMCIBSA-N -1 3 375.458 0.619 20 0 GCADHM CS[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571117530 952482103 /nfs/dbraw/zinc/48/21/03/952482103.db2.gz MHRUCWPKPUJSTL-GIPNMCIBSA-N -1 3 375.458 0.619 20 0 GCADHM Cc1nsc(N2C[C@H]3CN(C(=O)[C@H]4CCCO4)C[C@H]3C2)c1-c1nnn[n-]1 ZINC001571117510 952482230 /nfs/dbraw/zinc/48/22/30/952482230.db2.gz LSLAGNISIWKJII-GRYCIOLGSA-N -1 3 375.458 0.705 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001571117572 952482742 /nfs/dbraw/zinc/48/27/42/952482742.db2.gz NGKBMEUHZRGVLO-SJCJKPOMSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001571117572 952482750 /nfs/dbraw/zinc/48/27/50/952482750.db2.gz NGKBMEUHZRGVLO-SJCJKPOMSA-N -1 3 375.408 0.912 20 0 GCADHM Cc1nsc(N2CC[C@](C)(NC(=O)[C@]34C[C@H]3COC4)C2)c1-c1nnn[n-]1 ZINC001571117582 952483376 /nfs/dbraw/zinc/48/33/76/952483376.db2.gz NKFOSUSEWJIEJL-HNHYXYPQSA-N -1 3 375.458 0.753 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@@]3(F)CCOC3)C2)ccc1-c1nnn[n-]1 ZINC001571117735 952484100 /nfs/dbraw/zinc/48/41/00/952484100.db2.gz PNLDOOUFFFWWJW-SJKOYZFVSA-N -1 3 375.408 0.784 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@@]3(F)CCOC3)C2)ccc1-c1nn[n-]n1 ZINC001571117735 952484102 /nfs/dbraw/zinc/48/41/02/952484102.db2.gz PNLDOOUFFFWWJW-SJKOYZFVSA-N -1 3 375.408 0.784 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575197401 952485025 /nfs/dbraw/zinc/48/50/25/952485025.db2.gz VJMNLHVPADYDDX-RYUDHWBXSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575197401 952485028 /nfs/dbraw/zinc/48/50/28/952485028.db2.gz VJMNLHVPADYDDX-RYUDHWBXSA-N -1 3 383.412 0.997 20 0 GCADHM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnns2)c1-c1nnn[n-]1 ZINC001571118065 952485497 /nfs/dbraw/zinc/48/54/97/952485497.db2.gz TYSPBOGNFWYBTD-MTBHXBHISA-N -1 3 375.443 0.348 20 0 GCADHM C[C@@H]1CO[C@@H](C(=O)NC2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC001571118043 952485865 /nfs/dbraw/zinc/48/58/65/952485865.db2.gz SIGHITBTGFPKMR-IINYFYTJSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H]1CO[C@@H](C(=O)NC2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001571118043 952485866 /nfs/dbraw/zinc/48/58/66/952485866.db2.gz SIGHITBTGFPKMR-IINYFYTJSA-N -1 3 375.408 0.911 20 0 GCADHM COc1cc(C(=O)N[C@H](CO)[C@@H](O)C2CCCCC2)ccc1-c1nnn[n-]1 ZINC001571117990 952486019 /nfs/dbraw/zinc/48/60/19/952486019.db2.gz RQIXOLZAVWMGMY-ZBFHGGJFSA-N -1 3 375.429 0.907 20 0 GCADHM COc1cc(C(=O)N[C@H](CO)[C@@H](O)C2CCCCC2)ccc1-c1nn[n-]n1 ZINC001571117990 952486024 /nfs/dbraw/zinc/48/60/24/952486024.db2.gz RQIXOLZAVWMGMY-ZBFHGGJFSA-N -1 3 375.429 0.907 20 0 GCADHM CS(=O)(=O)CCC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001571118609 952487813 /nfs/dbraw/zinc/48/78/13/952487813.db2.gz XOTKMJADWBOYAT-UHFFFAOYSA-N -1 3 375.414 0.485 20 0 GCADHM CS(=O)(=O)CCC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001571118609 952487817 /nfs/dbraw/zinc/48/78/17/952487817.db2.gz XOTKMJADWBOYAT-UHFFFAOYSA-N -1 3 375.414 0.485 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)n2C)cc1 ZINC001571118364 952487911 /nfs/dbraw/zinc/48/79/11/952487911.db2.gz WEILKJAMHOJYME-UHFFFAOYSA-N -1 3 375.414 0.708 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)n2C)cc1 ZINC001571118364 952487915 /nfs/dbraw/zinc/48/79/15/952487915.db2.gz WEILKJAMHOJYME-UHFFFAOYSA-N -1 3 375.414 0.708 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575199227 952488302 /nfs/dbraw/zinc/48/83/02/952488302.db2.gz AREHYYQGYSIIID-OLZOCXBDSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575199227 952488305 /nfs/dbraw/zinc/48/83/05/952488305.db2.gz AREHYYQGYSIIID-OLZOCXBDSA-N -1 3 383.460 0.815 20 0 GCADHM O=C(NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571118668 952489335 /nfs/dbraw/zinc/48/93/35/952489335.db2.gz YIINDSSXMSBNDO-JTQLQIEISA-N -1 3 375.458 0.145 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575199658 952489572 /nfs/dbraw/zinc/48/95/72/952489572.db2.gz DUFIDNXWYGOVDJ-IUODEOHRSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575199658 952489575 /nfs/dbraw/zinc/48/95/75/952489575.db2.gz DUFIDNXWYGOVDJ-IUODEOHRSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571118641 952489771 /nfs/dbraw/zinc/48/97/71/952489771.db2.gz XXXJADDCXHXFAL-NTZNESFSSA-N -1 3 375.408 0.944 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571118641 952489774 /nfs/dbraw/zinc/48/97/74/952489774.db2.gz XXXJADDCXHXFAL-NTZNESFSSA-N -1 3 375.408 0.944 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001571118748 952489788 /nfs/dbraw/zinc/48/97/88/952489788.db2.gz ZSUNCJHZCQVLMD-AAEUAGOBSA-N -1 3 375.408 0.865 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001571118748 952489791 /nfs/dbraw/zinc/48/97/91/952489791.db2.gz ZSUNCJHZCQVLMD-AAEUAGOBSA-N -1 3 375.408 0.865 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001571119822 952496066 /nfs/dbraw/zinc/49/60/66/952496066.db2.gz GGVSQEREWYREKR-STQMWFEESA-N -1 3 376.417 0.720 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](CCO)[C@H](CO)C1 ZINC001571119822 952496070 /nfs/dbraw/zinc/49/60/70/952496070.db2.gz GGVSQEREWYREKR-STQMWFEESA-N -1 3 376.417 0.720 20 0 GCADHM Cc1ncccc1CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571120053 952498476 /nfs/dbraw/zinc/49/84/76/952498476.db2.gz IRGGJPYIOSWSCC-QLPKVWCKSA-N -1 3 376.424 0.759 20 0 GCADHM Cc1ncccc1CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571120053 952498484 /nfs/dbraw/zinc/49/84/84/952498484.db2.gz IRGGJPYIOSWSCC-QLPKVWCKSA-N -1 3 376.424 0.759 20 0 GCADHM O=C1c2ccccc2CN1NS(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001571120146 952500646 /nfs/dbraw/zinc/50/06/46/952500646.db2.gz KBVGIWTYNQXPAH-UHFFFAOYSA-N -1 3 376.423 0.919 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575201175 952502469 /nfs/dbraw/zinc/50/24/69/952502469.db2.gz NURIRPWVOHDSKT-DGCLKSJQSA-N -1 3 384.448 0.233 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575201175 952502475 /nfs/dbraw/zinc/50/24/75/952502475.db2.gz NURIRPWVOHDSKT-DGCLKSJQSA-N -1 3 384.448 0.233 20 0 GCADHM CN(C(=O)c1cnon1)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571120448 952503101 /nfs/dbraw/zinc/50/31/01/952503101.db2.gz LNMYNHQIGQJKRP-SECBINFHSA-N -1 3 375.780 0.649 20 0 GCADHM CN(C(=O)c1cnon1)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571120448 952503104 /nfs/dbraw/zinc/50/31/04/952503104.db2.gz LNMYNHQIGQJKRP-SECBINFHSA-N -1 3 375.780 0.649 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1 ZINC001575201392 952503375 /nfs/dbraw/zinc/50/33/75/952503375.db2.gz OZBMTSASDLJJLX-LLVKDONJSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1 ZINC001575201392 952503385 /nfs/dbraw/zinc/50/33/85/952503385.db2.gz OZBMTSASDLJJLX-LLVKDONJSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575201530 952505746 /nfs/dbraw/zinc/50/57/46/952505746.db2.gz PQYZMNNATLAOKS-TZMCWYRMSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575201530 952505754 /nfs/dbraw/zinc/50/57/54/952505754.db2.gz PQYZMNNATLAOKS-TZMCWYRMSA-N -1 3 381.444 0.569 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cn2)CO1 ZINC001571120550 952506013 /nfs/dbraw/zinc/50/60/13/952506013.db2.gz NVTCJXNXIKGCFP-SNVBAGLBSA-N -1 3 376.377 0.934 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cn2)CO1 ZINC001571120550 952506018 /nfs/dbraw/zinc/50/60/18/952506018.db2.gz NVTCJXNXIKGCFP-SNVBAGLBSA-N -1 3 376.377 0.934 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575201673 952506722 /nfs/dbraw/zinc/50/67/22/952506722.db2.gz KCLQEQTZLHSROZ-YPMHNXCESA-N -1 3 382.432 0.296 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575201673 952506731 /nfs/dbraw/zinc/50/67/31/952506731.db2.gz KCLQEQTZLHSROZ-YPMHNXCESA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575201638 952506974 /nfs/dbraw/zinc/50/69/74/952506974.db2.gz JHTLPGGGXSVVTJ-APPDUMDISA-N -1 3 382.432 0.344 20 0 GCADHM COc1ncc(NC(=O)N2C[C@H](C)N(CCO)C[C@H]2C)cc1-c1nnn[n-]1 ZINC001571120877 952510066 /nfs/dbraw/zinc/51/00/66/952510066.db2.gz SAUAYZOINGIUHA-WDEREUQCSA-N -1 3 376.421 0.189 20 0 GCADHM O=S(=O)(N[C@@H]1COc2cc(F)ccc2C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571120960 952511630 /nfs/dbraw/zinc/51/16/30/952511630.db2.gz SGUNNWXOYAXTCE-LBPRGKRZSA-N -1 3 376.373 0.683 20 0 GCADHM O=S(=O)(N[C@@H]1COc2cc(F)ccc2C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571120960 952511637 /nfs/dbraw/zinc/51/16/37/952511637.db2.gz SGUNNWXOYAXTCE-LBPRGKRZSA-N -1 3 376.373 0.683 20 0 GCADHM O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1ncc2c(c1-c1nnn[n-]1)COCC2 ZINC001571121120 952514182 /nfs/dbraw/zinc/51/41/82/952514182.db2.gz WRZQENVWPVWPIE-VIFPVBQESA-N -1 3 376.398 0.221 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575202788 952515587 /nfs/dbraw/zinc/51/55/87/952515587.db2.gz YGNMSLVQNSKZOJ-NSHDSACASA-N -1 3 382.432 0.344 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001575203081 952518560 /nfs/dbraw/zinc/51/85/60/952518560.db2.gz ZNYSCWGVCSAVHH-YPMHNXCESA-N -1 3 384.448 0.811 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001575203081 952518564 /nfs/dbraw/zinc/51/85/64/952518564.db2.gz ZNYSCWGVCSAVHH-YPMHNXCESA-N -1 3 384.448 0.811 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575203400 952521061 /nfs/dbraw/zinc/52/10/61/952521061.db2.gz VZORFAIBNXHKPS-WCQYABFASA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575203400 952521064 /nfs/dbraw/zinc/52/10/64/952521064.db2.gz VZORFAIBNXHKPS-WCQYABFASA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575203476 952522568 /nfs/dbraw/zinc/52/25/68/952522568.db2.gz YDCGELGCQVOVSU-GWCFXTLKSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575203476 952522573 /nfs/dbraw/zinc/52/25/73/952522573.db2.gz YDCGELGCQVOVSU-GWCFXTLKSA-N -1 3 382.432 0.565 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571122329 952524831 /nfs/dbraw/zinc/52/48/31/952524831.db2.gz IRPMZGGYSQZYIY-PSLIRLAXSA-N -1 3 376.446 0.313 20 0 GCADHM C[C@](Cn1cccn1)(NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC001575205856 952526828 /nfs/dbraw/zinc/52/68/28/952526828.db2.gz FBPAZBAFXJVLGY-MRXNPFEDSA-N -1 3 386.441 0.216 20 0 GCADHM C[C@](Cn1cccn1)(NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC001575205856 952526836 /nfs/dbraw/zinc/52/68/36/952526836.db2.gz FBPAZBAFXJVLGY-MRXNPFEDSA-N -1 3 386.441 0.216 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575206482 952529933 /nfs/dbraw/zinc/52/99/33/952529933.db2.gz JRGOKMJODFNOJY-QWRGUYRKSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575206482 952529935 /nfs/dbraw/zinc/52/99/35/952529935.db2.gz JRGOKMJODFNOJY-QWRGUYRKSA-N -1 3 385.432 0.042 20 0 GCADHM Cc1nsc(N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C2)c1-c1nnn[n-]1 ZINC001571124126 952533989 /nfs/dbraw/zinc/53/39/89/952533989.db2.gz ZIMYDOOOTPBWQV-ZJUUUORDSA-N -1 3 376.446 0.171 20 0 GCADHM C[C@H](Cc1cnn(C)c1)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575208003 952537104 /nfs/dbraw/zinc/53/71/04/952537104.db2.gz YQMSTYUJNVITJW-CYBMUJFWSA-N -1 3 396.459 0.458 20 0 GCADHM C[C@H](Cc1cnn(C)c1)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575208003 952537112 /nfs/dbraw/zinc/53/71/12/952537112.db2.gz YQMSTYUJNVITJW-CYBMUJFWSA-N -1 3 396.459 0.458 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)ncn1 ZINC001571124456 952538796 /nfs/dbraw/zinc/53/87/96/952538796.db2.gz JKYUHSGTUPWEKL-SWLSCSKDSA-N -1 3 377.412 0.711 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)ncn1 ZINC001571124456 952538802 /nfs/dbraw/zinc/53/88/02/952538802.db2.gz JKYUHSGTUPWEKL-SWLSCSKDSA-N -1 3 377.412 0.711 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(C[C@@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575208016 952538963 /nfs/dbraw/zinc/53/89/63/952538963.db2.gz ZAPFRFDRFFWGBU-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(C[C@@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575208016 952538965 /nfs/dbraw/zinc/53/89/65/952538965.db2.gz ZAPFRFDRFFWGBU-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC1(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571124744 952543795 /nfs/dbraw/zinc/54/37/95/952543795.db2.gz SUXTYFLZMBOJCW-BFLSOPEQSA-N -1 3 377.355 0.712 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC1(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571124744 952543801 /nfs/dbraw/zinc/54/38/01/952543801.db2.gz SUXTYFLZMBOJCW-BFLSOPEQSA-N -1 3 377.355 0.712 20 0 GCADHM CCOC(=O)c1c(NC(=O)N[C@H]2C[C@@H](CO)C2)c(-c2nnn[n-]2)cn1CC ZINC001571124821 952545347 /nfs/dbraw/zinc/54/53/47/952545347.db2.gz VPSRZQJKYBPJHA-AOOOYVTPSA-N -1 3 377.405 0.757 20 0 GCADHM CCOC(=O)c1c(NC(=O)N[C@H]2C[C@@H](CO)C2)c(-c2nn[n-]n2)cn1CC ZINC001571124821 952545351 /nfs/dbraw/zinc/54/53/51/952545351.db2.gz VPSRZQJKYBPJHA-AOOOYVTPSA-N -1 3 377.405 0.757 20 0 GCADHM O=C(c1cn2c(n1)CCC2)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571126952 952547713 /nfs/dbraw/zinc/54/77/13/952547713.db2.gz AMGNTWBYHAAAES-STQMWFEESA-N -1 3 377.412 0.508 20 0 GCADHM O=C(c1cn2c(n1)CCC2)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571126952 952547717 /nfs/dbraw/zinc/54/77/17/952547717.db2.gz AMGNTWBYHAAAES-STQMWFEESA-N -1 3 377.412 0.508 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575211631 952548043 /nfs/dbraw/zinc/54/80/43/952548043.db2.gz WPOSDFRHDAJQGS-NSHDSACASA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575211631 952548048 /nfs/dbraw/zinc/54/80/48/952548048.db2.gz WPOSDFRHDAJQGS-NSHDSACASA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCO1 ZINC001575211624 952548853 /nfs/dbraw/zinc/54/88/53/952548853.db2.gz WLBDOGSWUPOZDW-NSHDSACASA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001575211624 952548860 /nfs/dbraw/zinc/54/88/60/952548860.db2.gz WLBDOGSWUPOZDW-NSHDSACASA-N -1 3 384.362 0.978 20 0 GCADHM NS(=O)(=O)C1(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)CC1 ZINC001571127044 952549066 /nfs/dbraw/zinc/54/90/66/952549066.db2.gz DMBGXPUUERSLBZ-UHFFFAOYSA-N -1 3 377.430 0.687 20 0 GCADHM NS(=O)(=O)C1(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)CC1 ZINC001571127044 952549073 /nfs/dbraw/zinc/54/90/73/952549073.db2.gz DMBGXPUUERSLBZ-UHFFFAOYSA-N -1 3 377.430 0.687 20 0 GCADHM O=C(CCc1ncccn1)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001571127034 952549235 /nfs/dbraw/zinc/54/92/35/952549235.db2.gz DEXKJHAHRHNOCK-STQMWFEESA-N -1 3 377.412 0.474 20 0 GCADHM O=C(CCc1ncccn1)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001571127034 952549236 /nfs/dbraw/zinc/54/92/36/952549236.db2.gz DEXKJHAHRHNOCK-STQMWFEESA-N -1 3 377.412 0.474 20 0 GCADHM O=C(c1cncnc1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571127135 952550553 /nfs/dbraw/zinc/55/05/53/952550553.db2.gz GYRONIWMRNLPAG-LRDDRELGSA-N -1 3 377.412 0.793 20 0 GCADHM O=C(c1cncnc1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571127135 952550555 /nfs/dbraw/zinc/55/05/55/952550555.db2.gz GYRONIWMRNLPAG-LRDDRELGSA-N -1 3 377.412 0.793 20 0 GCADHM O=C(c1cncnc1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571127136 952550564 /nfs/dbraw/zinc/55/05/64/952550564.db2.gz GYRONIWMRNLPAG-MLGOLLRUSA-N -1 3 377.412 0.793 20 0 GCADHM O=C(c1cncnc1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571127136 952550565 /nfs/dbraw/zinc/55/05/65/952550565.db2.gz GYRONIWMRNLPAG-MLGOLLRUSA-N -1 3 377.412 0.793 20 0 GCADHM Cc1nc(N2C[C@@H]3CCN(C(=O)c4cccnn4)[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001571127072 952550584 /nfs/dbraw/zinc/55/05/84/952550584.db2.gz FBXUKTBWKUOYNF-SWLSCSKDSA-N -1 3 377.412 0.711 20 0 GCADHM Cc1nc(N2C[C@@H]3CCN(C(=O)c4cccnn4)[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001571127072 952550585 /nfs/dbraw/zinc/55/05/85/952550585.db2.gz FBXUKTBWKUOYNF-SWLSCSKDSA-N -1 3 377.412 0.711 20 0 GCADHM O=C(c1ncccn1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571127110 952550607 /nfs/dbraw/zinc/55/06/07/952550607.db2.gz GJWRHGZQVBCSJR-KGLIPLIRSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ncccn1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571127110 952550609 /nfs/dbraw/zinc/55/06/09/952550609.db2.gz GJWRHGZQVBCSJR-KGLIPLIRSA-N -1 3 377.412 0.935 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@@H]21 ZINC001575211927 952551261 /nfs/dbraw/zinc/55/12/61/952551261.db2.gz CFTMZZZHFOPPQZ-CABZTGNLSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@@H]21 ZINC001575211927 952551264 /nfs/dbraw/zinc/55/12/64/952551264.db2.gz CFTMZZZHFOPPQZ-CABZTGNLSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575212285 952552717 /nfs/dbraw/zinc/55/27/17/952552717.db2.gz GJNDNORNHOLPSK-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575212285 952552721 /nfs/dbraw/zinc/55/27/21/952552721.db2.gz GJNDNORNHOLPSK-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM O=C(c1c[nH]nc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571127308 952552880 /nfs/dbraw/zinc/55/28/80/952552880.db2.gz IWZBXYZKXAVBRF-STQMWFEESA-N -1 3 377.412 0.966 20 0 GCADHM O=C(c1c[nH]nc1C1CC1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571127308 952552883 /nfs/dbraw/zinc/55/28/83/952552883.db2.gz IWZBXYZKXAVBRF-STQMWFEESA-N -1 3 377.412 0.966 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575212626 952554605 /nfs/dbraw/zinc/55/46/05/952554605.db2.gz MJYVACZZKZPPBZ-CABZTGNLSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575212626 952554610 /nfs/dbraw/zinc/55/46/10/952554610.db2.gz MJYVACZZKZPPBZ-CABZTGNLSA-N -1 3 379.371 0.913 20 0 GCADHM CC[C@@H](OC)C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571127401 952555604 /nfs/dbraw/zinc/55/56/04/952555604.db2.gz GJPUABPBTONVHN-GRYCIOLGSA-N -1 3 377.474 0.951 20 0 GCADHM C[C@]12CN(C[C@@H](O)c3cccc(-c4nn[n-]n4)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001571127903 952562043 /nfs/dbraw/zinc/56/20/43/952562043.db2.gz MGSOFNCVCNPULQ-OIISXLGYSA-N -1 3 377.470 0.657 20 0 GCADHM CCc1nnc(N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)c(-c2nnn[n-]2)c1CC ZINC001571128094 952563158 /nfs/dbraw/zinc/56/31/58/952563158.db2.gz PEYJEKUCNYLVTO-MGPLVRAMSA-N -1 3 377.474 0.652 20 0 GCADHM CCc1nnc(N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)c(-c2nn[n-]n2)c1CC ZINC001571128094 952563160 /nfs/dbraw/zinc/56/31/60/952563160.db2.gz PEYJEKUCNYLVTO-MGPLVRAMSA-N -1 3 377.474 0.652 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571128486 952567434 /nfs/dbraw/zinc/56/74/34/952567434.db2.gz UUHAHGAYFATJBR-CABCVRRESA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571128486 952567435 /nfs/dbraw/zinc/56/74/35/952567435.db2.gz UUHAHGAYFATJBR-CABCVRRESA-N -1 3 377.412 0.935 20 0 GCADHM COc1cn(C)nc1[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001571128729 952569825 /nfs/dbraw/zinc/56/98/25/952569825.db2.gz VZBMOLMQJHYUQW-JTQLQIEISA-N -1 3 377.430 0.957 20 0 GCADHM COc1cn(C)nc1[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001571128729 952569827 /nfs/dbraw/zinc/56/98/27/952569827.db2.gz VZBMOLMQJHYUQW-JTQLQIEISA-N -1 3 377.430 0.957 20 0 GCADHM Cc1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)ncc1-c1nnn[n-]1 ZINC001571129032 952573059 /nfs/dbraw/zinc/57/30/59/952573059.db2.gz ZPUKOYJZGJCIOS-FGWVZKOKSA-N -1 3 377.430 0.800 20 0 GCADHM Cc1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)S3(=O)=O)ncc1-c1nn[n-]n1 ZINC001571129032 952573061 /nfs/dbraw/zinc/57/30/61/952573061.db2.gz ZPUKOYJZGJCIOS-FGWVZKOKSA-N -1 3 377.430 0.800 20 0 GCADHM CC(F)(F)C(=O)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571129280 952574494 /nfs/dbraw/zinc/57/44/94/952574494.db2.gz CDTGDUKPWALRFI-UHFFFAOYSA-N -1 3 378.383 0.935 20 0 GCADHM CC(F)(F)C(=O)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571129280 952574498 /nfs/dbraw/zinc/57/44/98/952574498.db2.gz CDTGDUKPWALRFI-UHFFFAOYSA-N -1 3 378.383 0.935 20 0 GCADHM O=C(COc1ccccc1)NCC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001571129501 952574867 /nfs/dbraw/zinc/57/48/67/952574867.db2.gz FHBWUMNSBXOSSP-UHFFFAOYSA-N -1 3 378.392 0.951 20 0 GCADHM O=C(COc1ccccc1)NCC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001571129501 952574874 /nfs/dbraw/zinc/57/48/74/952574874.db2.gz FHBWUMNSBXOSSP-UHFFFAOYSA-N -1 3 378.392 0.951 20 0 GCADHM Cc1nnc([C@@H]2CCN(S(=O)(=O)c3cc(F)cc(-c4nn[n-]n4)c3)C2)[nH]1 ZINC001571129976 952577312 /nfs/dbraw/zinc/57/73/12/952577312.db2.gz MIGMUSAKCDZXBX-SECBINFHSA-N -1 3 378.393 0.611 20 0 GCADHM COc1cc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)ccn1 ZINC001571129936 952577464 /nfs/dbraw/zinc/57/74/64/952577464.db2.gz LPVKWSRLTNMPFN-UHFFFAOYSA-N -1 3 378.389 0.930 20 0 GCADHM O=C(NC[C@H](O)c1c[nH]cn1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001571130219 952579999 /nfs/dbraw/zinc/57/99/99/952579999.db2.gz PWWVXKOCOPUJSC-NSHDSACASA-N -1 3 378.190 0.816 20 0 GCADHM O=C(NC[C@H](O)c1c[nH]cn1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001571130219 952580002 /nfs/dbraw/zinc/58/00/02/952580002.db2.gz PWWVXKOCOPUJSC-NSHDSACASA-N -1 3 378.190 0.816 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571130548 952580325 /nfs/dbraw/zinc/58/03/25/952580325.db2.gz SUDCKLGMFOUOTA-CQSZACIVSA-N -1 3 378.396 0.687 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571130548 952580330 /nfs/dbraw/zinc/58/03/30/952580330.db2.gz SUDCKLGMFOUOTA-CQSZACIVSA-N -1 3 378.396 0.687 20 0 GCADHM O=C(c1cccc(=O)[nH]1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571135809 952608739 /nfs/dbraw/zinc/60/87/39/952608739.db2.gz FFTZOGAEMJWFDD-GXTWGEPZSA-N -1 3 378.396 0.713 20 0 GCADHM O=C(c1cccc(=O)[nH]1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571135809 952608742 /nfs/dbraw/zinc/60/87/42/952608742.db2.gz FFTZOGAEMJWFDD-GXTWGEPZSA-N -1 3 378.396 0.713 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccn1 ZINC001571136610 952614827 /nfs/dbraw/zinc/61/48/27/952614827.db2.gz SRQPVELDTGALHY-KMUNFCNLSA-N -1 3 378.396 0.765 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccn1 ZINC001571136610 952614829 /nfs/dbraw/zinc/61/48/29/952614829.db2.gz SRQPVELDTGALHY-KMUNFCNLSA-N -1 3 378.396 0.765 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571137024 952618304 /nfs/dbraw/zinc/61/83/04/952618304.db2.gz ZVFHGDIUMOBSHE-OKILXGFUSA-N -1 3 378.396 0.856 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571137024 952618308 /nfs/dbraw/zinc/61/83/08/952618308.db2.gz ZVFHGDIUMOBSHE-OKILXGFUSA-N -1 3 378.396 0.856 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1(F)CCOCC1 ZINC001571139045 952618658 /nfs/dbraw/zinc/61/86/58/952618658.db2.gz AYNKQRHCKSYAER-LLVKDONJSA-N -1 3 379.371 0.614 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1(F)CCOCC1 ZINC001571139045 952618662 /nfs/dbraw/zinc/61/86/62/952618662.db2.gz AYNKQRHCKSYAER-LLVKDONJSA-N -1 3 379.371 0.614 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)[C@@H]1CCC(F)(F)C1 ZINC001571139284 952619520 /nfs/dbraw/zinc/61/95/20/952619520.db2.gz FBMHPKXWRSPBRM-YUSALJHKSA-N -1 3 379.371 0.363 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)[C@@H]1CCC(F)(F)C1 ZINC001571139284 952619523 /nfs/dbraw/zinc/61/95/23/952619523.db2.gz FBMHPKXWRSPBRM-YUSALJHKSA-N -1 3 379.371 0.363 20 0 GCADHM O=C(Nc1ccnnc1)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001571139556 952620520 /nfs/dbraw/zinc/62/05/20/952620520.db2.gz HWSYSRYFBQGVAY-CQSZACIVSA-N -1 3 379.384 0.579 20 0 GCADHM O=C(Nc1ccnnc1)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001571139556 952620523 /nfs/dbraw/zinc/62/05/23/952620523.db2.gz HWSYSRYFBQGVAY-CQSZACIVSA-N -1 3 379.384 0.579 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571139620 952620915 /nfs/dbraw/zinc/62/09/15/952620915.db2.gz JZHYOBAJYPIBNG-LSJOCFKGSA-N -1 3 379.371 0.674 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571139620 952620919 /nfs/dbraw/zinc/62/09/19/952620919.db2.gz JZHYOBAJYPIBNG-LSJOCFKGSA-N -1 3 379.371 0.674 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571140010 952622604 /nfs/dbraw/zinc/62/26/04/952622604.db2.gz NBMPQANNWNDOHZ-GDPRMGEGSA-N -1 3 379.371 0.959 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571140010 952622608 /nfs/dbraw/zinc/62/26/08/952622608.db2.gz NBMPQANNWNDOHZ-GDPRMGEGSA-N -1 3 379.371 0.959 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC2(F)F)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571140330 952624520 /nfs/dbraw/zinc/62/45/20/952624520.db2.gz PVOPOBPBSNCNFQ-DVVUODLYSA-N -1 3 379.371 0.865 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2CCC2(F)F)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571140330 952624523 /nfs/dbraw/zinc/62/45/23/952624523.db2.gz PVOPOBPBSNCNFQ-DVVUODLYSA-N -1 3 379.371 0.865 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC2(F)F)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571140333 952624655 /nfs/dbraw/zinc/62/46/55/952624655.db2.gz PVOPOBPBSNCNFQ-GDPRMGEGSA-N -1 3 379.371 0.865 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC2(F)F)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571140333 952624658 /nfs/dbraw/zinc/62/46/58/952624658.db2.gz PVOPOBPBSNCNFQ-GDPRMGEGSA-N -1 3 379.371 0.865 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001571140275 952624840 /nfs/dbraw/zinc/62/48/40/952624840.db2.gz PKYHFJQSGSRJLS-MNOVXSKESA-N -1 3 379.371 0.913 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001571140275 952624844 /nfs/dbraw/zinc/62/48/44/952624844.db2.gz PKYHFJQSGSRJLS-MNOVXSKESA-N -1 3 379.371 0.913 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC(F)(F)C1 ZINC001571140722 952627800 /nfs/dbraw/zinc/62/78/00/952627800.db2.gz SEQWIJYBJNEDMR-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC(F)(F)C1 ZINC001571140722 952627801 /nfs/dbraw/zinc/62/78/01/952627801.db2.gz SEQWIJYBJNEDMR-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM Cc1ccccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001571140813 952628445 /nfs/dbraw/zinc/62/84/45/952628445.db2.gz GXTGYMJOIRDTBL-HZPDHXFCSA-N -1 3 379.424 0.858 20 0 GCADHM Cc1ccccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001571140813 952628448 /nfs/dbraw/zinc/62/84/48/952628448.db2.gz GXTGYMJOIRDTBL-HZPDHXFCSA-N -1 3 379.424 0.858 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571140840 952629848 /nfs/dbraw/zinc/62/98/48/952629848.db2.gz UQBYVHGNBLZMCJ-NSHDSACASA-N -1 3 379.384 0.082 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571140840 952629851 /nfs/dbraw/zinc/62/98/51/952629851.db2.gz UQBYVHGNBLZMCJ-NSHDSACASA-N -1 3 379.384 0.082 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2nc(C(F)F)no2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571141218 952631503 /nfs/dbraw/zinc/63/15/03/952631503.db2.gz WMDVLTMHBNWFTF-MRVPVSSYSA-N -1 3 379.331 0.520 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2nc(C(F)F)no2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571141218 952631507 /nfs/dbraw/zinc/63/15/07/952631507.db2.gz WMDVLTMHBNWFTF-MRVPVSSYSA-N -1 3 379.331 0.520 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1)[C@H]1CC1(F)F ZINC001571141327 952632579 /nfs/dbraw/zinc/63/25/79/952632579.db2.gz XMMFQPTTYCACPA-NWDGAFQWSA-N -1 3 379.371 0.628 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1)[C@H]1CC1(F)F ZINC001571141327 952632580 /nfs/dbraw/zinc/63/25/80/952632580.db2.gz XMMFQPTTYCACPA-NWDGAFQWSA-N -1 3 379.371 0.628 20 0 GCADHM O=C(c1cccc(-c2nnn[n-]2)c1Br)N1CC(NC2COC2)C1 ZINC001571141588 952634551 /nfs/dbraw/zinc/63/45/51/952634551.db2.gz IRHIGOLVBPSTKC-UHFFFAOYSA-N -1 3 379.218 0.442 20 0 GCADHM O=C(c1cccc(-c2nn[n-]n2)c1Br)N1CC(NC2COC2)C1 ZINC001571141588 952634554 /nfs/dbraw/zinc/63/45/54/952634554.db2.gz IRHIGOLVBPSTKC-UHFFFAOYSA-N -1 3 379.218 0.442 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)c1-c1nnn[n-]1 ZINC001571141631 952634654 /nfs/dbraw/zinc/63/46/54/952634654.db2.gz XVTHLVNCMNGAJB-RITPCOANSA-N -1 3 379.324 0.060 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001571142172 952639177 /nfs/dbraw/zinc/63/91/77/952639177.db2.gz QPRIDQSPPCGYMC-HZPDHXFCSA-N -1 3 379.424 0.736 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001571142172 952639179 /nfs/dbraw/zinc/63/91/79/952639179.db2.gz QPRIDQSPPCGYMC-HZPDHXFCSA-N -1 3 379.424 0.736 20 0 GCADHM Cn1cc(CNc2ncc(Br)cc2-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001571142260 952640049 /nfs/dbraw/zinc/64/00/49/952640049.db2.gz NNUJAIWQQKIMPV-UHFFFAOYSA-N -1 3 379.178 0.436 20 0 GCADHM Cn1cc(CNc2ncc(Br)cc2-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001571142260 952640051 /nfs/dbraw/zinc/64/00/51/952640051.db2.gz NNUJAIWQQKIMPV-UHFFFAOYSA-N -1 3 379.178 0.436 20 0 GCADHM Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)c(-c2nnn[n-]2)c1 ZINC001571142329 952640905 /nfs/dbraw/zinc/64/09/05/952640905.db2.gz PFDAXKMHFLBEQK-HAQNSBGRSA-N -1 3 378.458 0.745 20 0 GCADHM Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)c(-c2nn[n-]n2)c1 ZINC001571142329 952640907 /nfs/dbraw/zinc/64/09/07/952640907.db2.gz PFDAXKMHFLBEQK-HAQNSBGRSA-N -1 3 378.458 0.745 20 0 GCADHM CC(C)(CNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1)CS(N)(=O)=O ZINC001571142779 952646429 /nfs/dbraw/zinc/64/64/29/952646429.db2.gz YFBIEVRMKWWMNM-UHFFFAOYSA-N -1 3 378.458 0.329 20 0 GCADHM CC(C)(CNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1)CS(N)(=O)=O ZINC001571142779 952646432 /nfs/dbraw/zinc/64/64/32/952646432.db2.gz YFBIEVRMKWWMNM-UHFFFAOYSA-N -1 3 378.458 0.329 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cc2n(n1)CCCC2 ZINC001571146031 952647187 /nfs/dbraw/zinc/64/71/87/952647187.db2.gz AJXQRNYCBOBEIW-CYBMUJFWSA-N -1 3 379.428 0.803 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cc2n(n1)CCCC2 ZINC001571146031 952647191 /nfs/dbraw/zinc/64/71/91/952647191.db2.gz AJXQRNYCBOBEIW-CYBMUJFWSA-N -1 3 379.428 0.803 20 0 GCADHM O=C(Cn1ccnc1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571146253 952647798 /nfs/dbraw/zinc/64/77/98/952647798.db2.gz FDANUOCNAFYANH-SFHVURJKSA-N -1 3 379.428 0.587 20 0 GCADHM O=C(Cn1ccnc1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571146253 952647800 /nfs/dbraw/zinc/64/78/00/952647800.db2.gz FDANUOCNAFYANH-SFHVURJKSA-N -1 3 379.428 0.587 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571146587 952650112 /nfs/dbraw/zinc/65/01/12/952650112.db2.gz JIRHTJBVTJUVQE-GXTWGEPZSA-N -1 3 379.428 0.734 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571146587 952650116 /nfs/dbraw/zinc/65/01/16/952650116.db2.gz JIRHTJBVTJUVQE-GXTWGEPZSA-N -1 3 379.428 0.734 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1n[nH]c2c1CCC2 ZINC001571146671 952651538 /nfs/dbraw/zinc/65/15/38/952651538.db2.gz LHOWQGKDMUJYQD-LBPRGKRZSA-N -1 3 379.428 0.872 20 0 GCADHM O=C(NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn2c1CCC2 ZINC001571146734 952652598 /nfs/dbraw/zinc/65/25/98/952652598.db2.gz MECUZZNYUIVTNX-GFCCVEGCSA-N -1 3 379.428 0.661 20 0 GCADHM O=C(NC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn2c1CCC2 ZINC001571146734 952652601 /nfs/dbraw/zinc/65/26/01/952652601.db2.gz MECUZZNYUIVTNX-GFCCVEGCSA-N -1 3 379.428 0.661 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC001571146868 952654180 /nfs/dbraw/zinc/65/41/80/952654180.db2.gz OKPSRBOWIISBGT-AAEUAGOBSA-N -1 3 379.428 0.485 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC001571146868 952654187 /nfs/dbraw/zinc/65/41/87/952654187.db2.gz OKPSRBOWIISBGT-AAEUAGOBSA-N -1 3 379.428 0.485 20 0 GCADHM CN(C)c1ccnc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571147161 952657386 /nfs/dbraw/zinc/65/73/86/952657386.db2.gz HVAJIPYKORSMEV-LBPRGKRZSA-N -1 3 379.428 0.731 20 0 GCADHM CN(C)c1ccnc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571147161 952657389 /nfs/dbraw/zinc/65/73/89/952657389.db2.gz HVAJIPYKORSMEV-LBPRGKRZSA-N -1 3 379.428 0.731 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)[C@H]1CCn2cncc2C1 ZINC001571147468 952661947 /nfs/dbraw/zinc/66/19/47/952661947.db2.gz ZCNYFKYQFIKRLE-QWHCGFSZSA-N -1 3 379.428 0.416 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)[C@H]1CCn2cncc2C1 ZINC001571147468 952661949 /nfs/dbraw/zinc/66/19/49/952661949.db2.gz ZCNYFKYQFIKRLE-QWHCGFSZSA-N -1 3 379.428 0.416 20 0 GCADHM Cc1c(NC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)cccc1-c1nnn[n-]1 ZINC001571150608 952669736 /nfs/dbraw/zinc/66/97/36/952669736.db2.gz CTSWLNKLGDXTLZ-LLVKDONJSA-N -1 3 379.446 0.850 20 0 GCADHM Cc1c(NC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)cccc1-c1nn[n-]n1 ZINC001571150608 952669740 /nfs/dbraw/zinc/66/97/40/952669740.db2.gz CTSWLNKLGDXTLZ-LLVKDONJSA-N -1 3 379.446 0.850 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)n1 ZINC001571150874 952671200 /nfs/dbraw/zinc/67/12/00/952671200.db2.gz HZUDOEKDDGKBMW-MNOVXSKESA-N -1 3 379.446 0.016 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)n1 ZINC001571150874 952671203 /nfs/dbraw/zinc/67/12/03/952671203.db2.gz HZUDOEKDDGKBMW-MNOVXSKESA-N -1 3 379.446 0.016 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)n1 ZINC001571150876 952671521 /nfs/dbraw/zinc/67/15/21/952671521.db2.gz HZUDOEKDDGKBMW-WDEREUQCSA-N -1 3 379.446 0.016 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)n1 ZINC001571150876 952671527 /nfs/dbraw/zinc/67/15/27/952671527.db2.gz HZUDOEKDDGKBMW-WDEREUQCSA-N -1 3 379.446 0.016 20 0 GCADHM O=C(c1cn2c(n1)CCCC2)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571151039 952672740 /nfs/dbraw/zinc/67/27/40/952672740.db2.gz JPXIWWQRWZHAOI-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM O=C(c1cn2c(n1)CCCC2)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571151039 952672743 /nfs/dbraw/zinc/67/27/43/952672743.db2.gz JPXIWWQRWZHAOI-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM Cc1cc(C)c(-c2nnn[n-]2)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC001571151246 952673496 /nfs/dbraw/zinc/67/34/96/952673496.db2.gz NPHMDPNKWAVAAR-NSHDSACASA-N -1 3 379.446 0.489 20 0 GCADHM Cc1cc(C)c(-c2nn[n-]n2)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC001571151246 952673499 /nfs/dbraw/zinc/67/34/99/952673499.db2.gz NPHMDPNKWAVAAR-NSHDSACASA-N -1 3 379.446 0.489 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001571151332 952674393 /nfs/dbraw/zinc/67/43/93/952674393.db2.gz OZLOARDXJNGGJP-ZFWWWQNUSA-N -1 3 379.442 0.263 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001571151332 952674395 /nfs/dbraw/zinc/67/43/95/952674395.db2.gz OZLOARDXJNGGJP-ZFWWWQNUSA-N -1 3 379.442 0.263 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001571151691 952678393 /nfs/dbraw/zinc/67/83/93/952678393.db2.gz UTZHWDOQAWXURL-LLVKDONJSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001571151691 952678397 /nfs/dbraw/zinc/67/83/97/952678397.db2.gz UTZHWDOQAWXURL-LLVKDONJSA-N -1 3 379.446 0.098 20 0 GCADHM Cc1nsc(N2CCC[C@@H](NC(=O)[C@@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571151845 952678770 /nfs/dbraw/zinc/67/87/70/952678770.db2.gz YZCLHJMTLFDLDL-MNOVXSKESA-N -1 3 379.446 0.132 20 0 GCADHM O=C(CNS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1)NCc1ccco1 ZINC001571152665 952682956 /nfs/dbraw/zinc/68/29/56/952682956.db2.gz JNSIDIBQHXFNLF-UHFFFAOYSA-N -1 3 380.361 0.194 20 0 GCADHM O=C(CNS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1)NCc1ccco1 ZINC001571152665 952682959 /nfs/dbraw/zinc/68/29/59/952682959.db2.gz JNSIDIBQHXFNLF-UHFFFAOYSA-N -1 3 380.361 0.194 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001571152630 952683030 /nfs/dbraw/zinc/68/30/30/952683030.db2.gz IGIVZOMOPQSQCW-UHFFFAOYSA-N -1 3 380.343 0.944 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001571152630 952683033 /nfs/dbraw/zinc/68/30/33/952683033.db2.gz IGIVZOMOPQSQCW-UHFFFAOYSA-N -1 3 380.343 0.944 20 0 GCADHM O=C1N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3Br)CC[C@H]2CO1 ZINC001571152609 952683053 /nfs/dbraw/zinc/68/30/53/952683053.db2.gz HKBMLQQLAGCKGU-OIBJUYFYSA-N -1 3 380.206 0.959 20 0 GCADHM O=C1N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3Br)CC[C@H]2CO1 ZINC001571152609 952683056 /nfs/dbraw/zinc/68/30/56/952683056.db2.gz HKBMLQQLAGCKGU-OIBJUYFYSA-N -1 3 380.206 0.959 20 0 GCADHM NS(=O)(=O)c1ccc(CNCc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC001571153566 952686296 /nfs/dbraw/zinc/68/62/96/952686296.db2.gz QTQHRFPTMUCXDQ-UHFFFAOYSA-N -1 3 379.833 0.852 20 0 GCADHM NS(=O)(=O)c1ccc(CNCc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC001571153566 952686299 /nfs/dbraw/zinc/68/62/99/952686299.db2.gz QTQHRFPTMUCXDQ-UHFFFAOYSA-N -1 3 379.833 0.852 20 0 GCADHM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001571154984 952690343 /nfs/dbraw/zinc/69/03/43/952690343.db2.gz DBWSQBXTTRRFNA-SECBINFHSA-N -1 3 380.409 0.185 20 0 GCADHM C[C@H](Cc1cn(C)nn1)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001571154984 952690345 /nfs/dbraw/zinc/69/03/45/952690345.db2.gz DBWSQBXTTRRFNA-SECBINFHSA-N -1 3 380.409 0.185 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1cccc(C)n1 ZINC001571154992 952691302 /nfs/dbraw/zinc/69/13/02/952691302.db2.gz DJPRZSZXBNPIQF-HUUCEWRRSA-N -1 3 380.412 0.599 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1cccc(C)n1 ZINC001571154992 952691304 /nfs/dbraw/zinc/69/13/04/952691304.db2.gz DJPRZSZXBNPIQF-HUUCEWRRSA-N -1 3 380.412 0.599 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cccnc1 ZINC001571155044 952691487 /nfs/dbraw/zinc/69/14/87/952691487.db2.gz FNWPSPNQFAWPTM-AWEZNQCLSA-N -1 3 380.412 0.967 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cccnc1 ZINC001571155044 952691492 /nfs/dbraw/zinc/69/14/92/952691492.db2.gz FNWPSPNQFAWPTM-AWEZNQCLSA-N -1 3 380.412 0.967 20 0 GCADHM CCc1ncoc1C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571155217 952693592 /nfs/dbraw/zinc/69/35/92/952693592.db2.gz LCEINJDBFKLKOM-XYYAHUGASA-N -1 3 380.412 0.924 20 0 GCADHM CCc1ncoc1C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571155217 952693596 /nfs/dbraw/zinc/69/35/96/952693596.db2.gz LCEINJDBFKLKOM-XYYAHUGASA-N -1 3 380.412 0.924 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)c1cccnc1 ZINC001571155298 952694749 /nfs/dbraw/zinc/69/47/49/952694749.db2.gz NGPZXFIRJZDXGF-CQSZACIVSA-N -1 3 380.412 0.870 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)c1cccnc1 ZINC001571155298 952694752 /nfs/dbraw/zinc/69/47/52/952694752.db2.gz NGPZXFIRJZDXGF-CQSZACIVSA-N -1 3 380.412 0.870 20 0 GCADHM C[C@H](C(N)=O)N1Cc2ccc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2C1 ZINC001571155240 952694762 /nfs/dbraw/zinc/69/47/62/952694762.db2.gz LNAHOVPQXMPVIC-SNVBAGLBSA-N -1 3 380.412 0.314 20 0 GCADHM C[C@H](C(N)=O)N1Cc2ccc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2C1 ZINC001571155240 952694767 /nfs/dbraw/zinc/69/47/67/952694767.db2.gz LNAHOVPQXMPVIC-SNVBAGLBSA-N -1 3 380.412 0.314 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)c2cccc(=O)n2C)C1 ZINC001571155421 952696551 /nfs/dbraw/zinc/69/65/51/952696551.db2.gz RHBSCYDXNWBIMB-CYBMUJFWSA-N -1 3 380.412 0.311 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)c2cccc(=O)n2C)C1 ZINC001571155421 952696554 /nfs/dbraw/zinc/69/65/54/952696554.db2.gz RHBSCYDXNWBIMB-CYBMUJFWSA-N -1 3 380.412 0.311 20 0 GCADHM CCc1ccnc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571155700 952699260 /nfs/dbraw/zinc/69/92/60/952699260.db2.gz XXJHYKIPKYSGEH-ZDUSSCGKSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1ccnc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571155700 952699265 /nfs/dbraw/zinc/69/92/65/952699265.db2.gz XXJHYKIPKYSGEH-ZDUSSCGKSA-N -1 3 380.412 0.797 20 0 GCADHM Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)ccc4-c4nnn[n-]4)C[C@H]32)c1C ZINC001571155995 952699719 /nfs/dbraw/zinc/69/97/19/952699719.db2.gz AFZXQIILCNUFDG-NHAGDIPZSA-N -1 3 379.428 0.775 20 0 GCADHM Cc1[nH]nc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)ccc4-c4nn[n-]n4)C[C@H]32)c1C ZINC001571155995 952699724 /nfs/dbraw/zinc/69/97/24/952699724.db2.gz AFZXQIILCNUFDG-NHAGDIPZSA-N -1 3 379.428 0.775 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cncn2C)n1 ZINC001571155998 952699918 /nfs/dbraw/zinc/69/99/18/952699918.db2.gz AMHUGRIFTKGPJR-BETUJISGSA-N -1 3 379.428 0.797 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cncn2C)n1 ZINC001571155998 952699923 /nfs/dbraw/zinc/69/99/23/952699923.db2.gz AMHUGRIFTKGPJR-BETUJISGSA-N -1 3 379.428 0.797 20 0 GCADHM Cc1cnc(CN2CCC3(CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)nc1 ZINC001571156775 952704829 /nfs/dbraw/zinc/70/48/29/952704829.db2.gz JJZMBFRQNZIKQN-UHFFFAOYSA-N -1 3 379.428 0.641 20 0 GCADHM Cc1cnc(CN2CCC3(CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)C2)nc1 ZINC001571156775 952704831 /nfs/dbraw/zinc/70/48/31/952704831.db2.gz JJZMBFRQNZIKQN-UHFFFAOYSA-N -1 3 379.428 0.641 20 0 GCADHM Cc1cc(C)n(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)n1 ZINC001571157243 952706806 /nfs/dbraw/zinc/70/68/06/952706806.db2.gz NTHWYKBBSUNOOZ-KBPBESRZSA-N -1 3 379.428 0.565 20 0 GCADHM Cc1cc(C)n(CC(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)n1 ZINC001571157243 952706809 /nfs/dbraw/zinc/70/68/09/952706809.db2.gz NTHWYKBBSUNOOZ-KBPBESRZSA-N -1 3 379.428 0.565 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)ccc4-c4nnn[n-]4)C[C@H]32)n1C ZINC001571157265 952707409 /nfs/dbraw/zinc/70/74/09/952707409.db2.gz OKQAALDZFMBVKN-NHAGDIPZSA-N -1 3 379.428 0.477 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)ccc4-c4nn[n-]n4)C[C@H]32)n1C ZINC001571157265 952707413 /nfs/dbraw/zinc/70/74/13/952707413.db2.gz OKQAALDZFMBVKN-NHAGDIPZSA-N -1 3 379.428 0.477 20 0 GCADHM Cc1cnc(CN2C[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@@H]3C2)nc1 ZINC001571158060 952708943 /nfs/dbraw/zinc/70/89/43/952708943.db2.gz QLJNNKXOAMEQSR-OKILXGFUSA-N -1 3 379.428 0.497 20 0 GCADHM Cc1cnc(CN2C[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@@H]3C2)nc1 ZINC001571158060 952708946 /nfs/dbraw/zinc/70/89/46/952708946.db2.gz QLJNNKXOAMEQSR-OKILXGFUSA-N -1 3 379.428 0.497 20 0 GCADHM COc1cnc(C(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)nc1 ZINC001571158305 952711104 /nfs/dbraw/zinc/71/11/04/952711104.db2.gz GMVUKWZXMHVCKO-UHFFFAOYSA-N -1 3 380.412 0.622 20 0 GCADHM COc1cnc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)nc1 ZINC001571158305 952711108 /nfs/dbraw/zinc/71/11/08/952711108.db2.gz GMVUKWZXMHVCKO-UHFFFAOYSA-N -1 3 380.412 0.622 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)ccn1 ZINC001571158489 952711969 /nfs/dbraw/zinc/71/19/69/952711969.db2.gz JJLILOUUECIMET-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)ccn1 ZINC001571158489 952711972 /nfs/dbraw/zinc/71/19/72/952711972.db2.gz JJLILOUUECIMET-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)ccn1 ZINC001571158486 952712346 /nfs/dbraw/zinc/71/23/46/952712346.db2.gz JJLILOUUECIMET-AAEUAGOBSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)ccn1 ZINC001571158486 952712350 /nfs/dbraw/zinc/71/23/50/952712350.db2.gz JJLILOUUECIMET-AAEUAGOBSA-N -1 3 380.412 0.931 20 0 GCADHM COc1cccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571158512 952712819 /nfs/dbraw/zinc/71/28/19/952712819.db2.gz KBYGJYMNQYUQNG-LBPRGKRZSA-N -1 3 380.412 0.922 20 0 GCADHM COc1cccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571158512 952712825 /nfs/dbraw/zinc/71/28/25/952712825.db2.gz KBYGJYMNQYUQNG-LBPRGKRZSA-N -1 3 380.412 0.922 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571158672 952713441 /nfs/dbraw/zinc/71/34/41/952713441.db2.gz MBUJOAJIOWUZMK-AAEUAGOBSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571158672 952713445 /nfs/dbraw/zinc/71/34/45/952713445.db2.gz MBUJOAJIOWUZMK-AAEUAGOBSA-N -1 3 380.412 0.931 20 0 GCADHM COc1nccc(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571158948 952715934 /nfs/dbraw/zinc/71/59/34/952715934.db2.gz NWMHLTHIEJZLFD-CQSZACIVSA-N -1 3 380.412 0.670 20 0 GCADHM COc1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)cn1 ZINC001571159002 952715939 /nfs/dbraw/zinc/71/59/39/952715939.db2.gz OUWPQKHHTRXVSZ-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM COc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)cn1 ZINC001571159002 952715942 /nfs/dbraw/zinc/71/59/42/952715942.db2.gz OUWPQKHHTRXVSZ-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[C@@H](C)C1=O ZINC001571158965 952715973 /nfs/dbraw/zinc/71/59/73/952715973.db2.gz OEZUCXIMZUWYCN-GHMZBOCLSA-N -1 3 380.412 0.932 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C[C@@H](C)C1=O ZINC001571158965 952715975 /nfs/dbraw/zinc/71/59/75/952715975.db2.gz OEZUCXIMZUWYCN-GHMZBOCLSA-N -1 3 380.412 0.932 20 0 GCADHM COc1ncc(C(=O)NC[C@@H]2CCN2Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001571158985 952716433 /nfs/dbraw/zinc/71/64/33/952716433.db2.gz OQVPFRQAVVOHEW-HNNXBMFYSA-N -1 3 380.412 0.670 20 0 GCADHM Cc1cccc(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571159306 952718184 /nfs/dbraw/zinc/71/81/84/952718184.db2.gz UFOJOKBEOAWHIE-CQSZACIVSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1cccc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571159306 952718188 /nfs/dbraw/zinc/71/81/88/952718188.db2.gz UFOJOKBEOAWHIE-CQSZACIVSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571159278 952718369 /nfs/dbraw/zinc/71/83/69/952718369.db2.gz SWKHSBZKLOHJCX-BXUZGUMPSA-N -1 3 380.412 0.728 20 0 GCADHM C[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571159278 952718372 /nfs/dbraw/zinc/71/83/72/952718372.db2.gz SWKHSBZKLOHJCX-BXUZGUMPSA-N -1 3 380.412 0.728 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001571159540 952719506 /nfs/dbraw/zinc/71/95/06/952719506.db2.gz XPAWMLREPUVBOF-UHFFFAOYSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001571159540 952719510 /nfs/dbraw/zinc/71/95/10/952719510.db2.gz XPAWMLREPUVBOF-UHFFFAOYSA-N -1 3 380.412 0.933 20 0 GCADHM COc1ncccc1C(=O)N1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001571159516 952719562 /nfs/dbraw/zinc/71/95/62/952719562.db2.gz XFCADHHDNAYRMA-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM COc1ncccc1C(=O)N1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001571159516 952719565 /nfs/dbraw/zinc/71/95/65/952719565.db2.gz XFCADHHDNAYRMA-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1C ZINC001571159676 952721091 /nfs/dbraw/zinc/72/10/91/952721091.db2.gz YVEYBYQOZYTJAK-HBYGRHMLSA-N -1 3 380.412 0.342 20 0 GCADHM Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1C ZINC001571159676 952721098 /nfs/dbraw/zinc/72/10/98/952721098.db2.gz YVEYBYQOZYTJAK-HBYGRHMLSA-N -1 3 380.412 0.342 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571159554 952721300 /nfs/dbraw/zinc/72/13/00/952721300.db2.gz XXSGRRBEJIRTGV-NWDGAFQWSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571159554 952721302 /nfs/dbraw/zinc/72/13/02/952721302.db2.gz XXSGRRBEJIRTGV-NWDGAFQWSA-N -1 3 380.412 0.931 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1c[nH]cc1C1CC1 ZINC001571160046 952722773 /nfs/dbraw/zinc/72/27/73/952722773.db2.gz BXGFFKXFWMXVKV-CABCVRRESA-N -1 3 380.412 0.447 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1c[nH]cc1C1CC1 ZINC001571160046 952722776 /nfs/dbraw/zinc/72/27/76/952722776.db2.gz BXGFFKXFWMXVKV-CABCVRRESA-N -1 3 380.412 0.447 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)c1cnccn1 ZINC001571160497 952726158 /nfs/dbraw/zinc/72/61/58/952726158.db2.gz ILFNNHNVQGLBKV-OAHLLOKOSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(Cn1ccccc1=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571160636 952727682 /nfs/dbraw/zinc/72/76/82/952727682.db2.gz KSDLLLOIAHOEAG-AWEZNQCLSA-N -1 3 380.412 0.209 20 0 GCADHM O=C(Cn1ccccc1=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571160636 952727686 /nfs/dbraw/zinc/72/76/86/952727686.db2.gz KSDLLLOIAHOEAG-AWEZNQCLSA-N -1 3 380.412 0.209 20 0 GCADHM O=C(c1ccncc1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571160588 952727877 /nfs/dbraw/zinc/72/78/77/952727877.db2.gz JRKWSKQUXVGZBT-HNNXBMFYSA-N -1 3 380.412 1.000 20 0 GCADHM O=C(c1ccncc1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571160588 952727881 /nfs/dbraw/zinc/72/78/81/952727881.db2.gz JRKWSKQUXVGZBT-HNNXBMFYSA-N -1 3 380.412 1.000 20 0 GCADHM Cn1cccc(C(=O)NC[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c1=O ZINC001571160838 952728206 /nfs/dbraw/zinc/72/82/06/952728206.db2.gz MWDBOQNLGMSZGI-LBPRGKRZSA-N -1 3 380.412 0.217 20 0 GCADHM Cn1cccc(C(=O)NC[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1=O ZINC001571160838 952728208 /nfs/dbraw/zinc/72/82/08/952728208.db2.gz MWDBOQNLGMSZGI-LBPRGKRZSA-N -1 3 380.412 0.217 20 0 GCADHM O=C(Cc1cnoc1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571161254 952732061 /nfs/dbraw/zinc/73/20/61/952732061.db2.gz SRRPFRRSYDUTNX-KGLIPLIRSA-N -1 3 380.412 0.777 20 0 GCADHM O=C(Cc1cnoc1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571161254 952732064 /nfs/dbraw/zinc/73/20/64/952732064.db2.gz SRRPFRRSYDUTNX-KGLIPLIRSA-N -1 3 380.412 0.777 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H](C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161587 952733025 /nfs/dbraw/zinc/73/30/25/952733025.db2.gz XEVPFXUBTYHXGE-NSHDSACASA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H](C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161587 952733034 /nfs/dbraw/zinc/73/30/34/952733034.db2.gz XEVPFXUBTYHXGE-NSHDSACASA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cncc(C)c1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161590 952733068 /nfs/dbraw/zinc/73/30/68/952733068.db2.gz XLUCPTRHCCAZFI-HAQNSBGRSA-N -1 3 380.412 0.897 20 0 GCADHM Cc1cncc(C)c1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161590 952733069 /nfs/dbraw/zinc/73/30/69/952733069.db2.gz XLUCPTRHCCAZFI-HAQNSBGRSA-N -1 3 380.412 0.897 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571162187 952739483 /nfs/dbraw/zinc/73/94/83/952739483.db2.gz NIABNMPMBOFPSZ-KKOKHZNYSA-N -1 3 380.416 0.267 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571162187 952739487 /nfs/dbraw/zinc/73/94/87/952739487.db2.gz NIABNMPMBOFPSZ-KKOKHZNYSA-N -1 3 380.416 0.267 20 0 GCADHM CN(C)c1cnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571162140 952739821 /nfs/dbraw/zinc/73/98/21/952739821.db2.gz LTXOZBSDVUJMEJ-GFCCVEGCSA-N -1 3 380.416 0.126 20 0 GCADHM CN(C)c1cnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571162140 952739823 /nfs/dbraw/zinc/73/98/23/952739823.db2.gz LTXOZBSDVUJMEJ-GFCCVEGCSA-N -1 3 380.416 0.126 20 0 GCADHM Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nnn[n-]2)nnn1C ZINC001571162403 952743435 /nfs/dbraw/zinc/74/34/35/952743435.db2.gz STIDRGHSLNWYDA-WXHSDQCUSA-N -1 3 380.416 0.238 20 0 GCADHM Cc1c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nn[n-]n2)nnn1C ZINC001571162403 952743439 /nfs/dbraw/zinc/74/34/39/952743439.db2.gz STIDRGHSLNWYDA-WXHSDQCUSA-N -1 3 380.416 0.238 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nccnc1N ZINC001571162434 952743473 /nfs/dbraw/zinc/74/34/73/952743473.db2.gz UGCQASZOARWBQY-PWSUYJOCSA-N -1 3 380.416 0.739 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nccnc1N ZINC001571162434 952743475 /nfs/dbraw/zinc/74/34/75/952743475.db2.gz UGCQASZOARWBQY-PWSUYJOCSA-N -1 3 380.416 0.739 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nccnc1N ZINC001571162433 952743500 /nfs/dbraw/zinc/74/35/00/952743500.db2.gz UGCQASZOARWBQY-JQWIXIFHSA-N -1 3 380.416 0.739 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nccnc1N ZINC001571162433 952743503 /nfs/dbraw/zinc/74/35/03/952743503.db2.gz UGCQASZOARWBQY-JQWIXIFHSA-N -1 3 380.416 0.739 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3CCCN(C(=O)c4cn[nH]n4)[C@@H]3C2)n1 ZINC001571162735 952746025 /nfs/dbraw/zinc/74/60/25/952746025.db2.gz YVVGCLDBUSHTMG-SMDDNHRTSA-N -1 3 380.416 0.429 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001571165474 952751040 /nfs/dbraw/zinc/75/10/40/952751040.db2.gz HUNHOGXFUCRVQR-CHWSQXEVSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001571165474 952751044 /nfs/dbraw/zinc/75/10/44/952751044.db2.gz HUNHOGXFUCRVQR-CHWSQXEVSA-N -1 3 380.416 0.543 20 0 GCADHM Cc1cc(NC(=O)NCC2(S(=O)(=O)N(C)C)CC2)ncc1-c1nnn[n-]1 ZINC001571165597 952753319 /nfs/dbraw/zinc/75/33/19/952753319.db2.gz GMHUYTYCGGGHQC-UHFFFAOYSA-N -1 3 380.434 0.116 20 0 GCADHM Cc1cc(NC(=O)NCC2(S(=O)(=O)N(C)C)CC2)ncc1-c1nn[n-]n1 ZINC001571165597 952753324 /nfs/dbraw/zinc/75/33/24/952753324.db2.gz GMHUYTYCGGGHQC-UHFFFAOYSA-N -1 3 380.434 0.116 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571165591 952753521 /nfs/dbraw/zinc/75/35/21/952753521.db2.gz GHVISTSQISEQDJ-KOLCDFICSA-N -1 3 380.434 0.101 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571165591 952753527 /nfs/dbraw/zinc/75/35/27/952753527.db2.gz GHVISTSQISEQDJ-KOLCDFICSA-N -1 3 380.434 0.101 20 0 GCADHM O=C([C@H]1CCCc2nn[nH]c21)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165783 952754267 /nfs/dbraw/zinc/75/42/67/952754267.db2.gz KOMBKNIGSBETFF-NEPJUHHUSA-N -1 3 380.416 0.513 20 0 GCADHM O=C([C@H]1CCCc2nn[nH]c21)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165783 952754273 /nfs/dbraw/zinc/75/42/73/952754273.db2.gz KOMBKNIGSBETFF-NEPJUHHUSA-N -1 3 380.416 0.513 20 0 GCADHM O=C(Cc1nnc(C2CC2)[nH]1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571165799 952755198 /nfs/dbraw/zinc/75/51/98/952755198.db2.gz LFMNKDQHBSBZRB-UHFFFAOYSA-N -1 3 380.416 0.149 20 0 GCADHM O=C(Cc1nnc(C2CC2)[nH]1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571165799 952755202 /nfs/dbraw/zinc/75/52/02/952755202.db2.gz LFMNKDQHBSBZRB-UHFFFAOYSA-N -1 3 380.416 0.149 20 0 GCADHM O=C([C@H]1CCc2n[nH]cc2C1)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165835 952755662 /nfs/dbraw/zinc/75/56/62/952755662.db2.gz LVUPFJQYDVSQBR-CMPLNLGQSA-N -1 3 380.416 0.198 20 0 GCADHM O=C([C@H]1CCc2n[nH]cc2C1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165836 952755930 /nfs/dbraw/zinc/75/59/30/952755930.db2.gz LVUPFJQYDVSQBR-JQWIXIFHSA-N -1 3 380.416 0.198 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC001571165897 952756057 /nfs/dbraw/zinc/75/60/57/952756057.db2.gz IJBIUOFDSSGXGC-UHFFFAOYSA-N -1 3 380.430 0.016 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC001571165897 952756062 /nfs/dbraw/zinc/75/60/62/952756062.db2.gz IJBIUOFDSSGXGC-UHFFFAOYSA-N -1 3 380.430 0.016 20 0 GCADHM Cc1nc(N2CC[C@H]3CN(C(=O)c4nc[nH]n4)CC[C@H]32)ccc1-c1nn[n-]n1 ZINC001571165972 952757245 /nfs/dbraw/zinc/75/72/45/952757245.db2.gz MIWDZKAEMFMTGX-WCQYABFASA-N -1 3 380.416 0.429 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571166129 952759068 /nfs/dbraw/zinc/75/90/68/952759068.db2.gz OGMKOYSWLKCMLG-LBPRGKRZSA-N -1 3 380.416 0.423 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571166129 952759071 /nfs/dbraw/zinc/75/90/71/952759071.db2.gz OGMKOYSWLKCMLG-LBPRGKRZSA-N -1 3 380.416 0.423 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571166378 952761095 /nfs/dbraw/zinc/76/10/95/952761095.db2.gz RCBMPNZQTONOMG-XHDPSFHLSA-N -1 3 380.416 0.131 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571166378 952761099 /nfs/dbraw/zinc/76/10/99/952761099.db2.gz RCBMPNZQTONOMG-XHDPSFHLSA-N -1 3 380.416 0.131 20 0 GCADHM O=C(N[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1n[nH]c2c1CCC2 ZINC001571166804 952765325 /nfs/dbraw/zinc/76/53/25/952765325.db2.gz WIRUIJHAYIYAQN-JTQLQIEISA-N -1 3 380.416 0.267 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571170195 952784151 /nfs/dbraw/zinc/78/41/51/952784151.db2.gz FWZYVQBFTATQQC-GFCCVEGCSA-N -1 3 381.400 0.308 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571170195 952784155 /nfs/dbraw/zinc/78/41/55/952784155.db2.gz FWZYVQBFTATQQC-GFCCVEGCSA-N -1 3 381.400 0.308 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571170211 952784628 /nfs/dbraw/zinc/78/46/28/952784628.db2.gz GEPWEDRGSFBVSU-MWLCHTKSSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571170211 952784633 /nfs/dbraw/zinc/78/46/33/952784633.db2.gz GEPWEDRGSFBVSU-MWLCHTKSSA-N -1 3 381.400 0.404 20 0 GCADHM CC1(C)CN(C(=O)c2cnccn2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571170647 952788428 /nfs/dbraw/zinc/78/84/28/952788428.db2.gz KBWMUWZRMDNDIM-CYBMUJFWSA-N -1 3 381.400 0.265 20 0 GCADHM CC1(C)CN(C(=O)c2cnccn2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571170647 952788435 /nfs/dbraw/zinc/78/84/35/952788435.db2.gz KBWMUWZRMDNDIM-CYBMUJFWSA-N -1 3 381.400 0.265 20 0 GCADHM CN(C(=O)c1cc(C(N)=O)c[nH]1)C1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571171269 952791900 /nfs/dbraw/zinc/79/19/00/952791900.db2.gz QMUQXEVIIBDVTH-UHFFFAOYSA-N -1 3 381.400 0.404 20 0 GCADHM CN(C(=O)c1cc(C(N)=O)c[nH]1)C1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571171269 952791904 /nfs/dbraw/zinc/79/19/04/952791904.db2.gz QMUQXEVIIBDVTH-UHFFFAOYSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571171135 952791934 /nfs/dbraw/zinc/79/19/34/952791934.db2.gz PVNIRZCGUURSNF-JQWIXIFHSA-N -1 3 381.400 0.720 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571171135 952791937 /nfs/dbraw/zinc/79/19/37/952791937.db2.gz PVNIRZCGUURSNF-JQWIXIFHSA-N -1 3 381.400 0.720 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NC[C@H](O)C(=O)OCc1ccccc1 ZINC001571171338 952793032 /nfs/dbraw/zinc/79/30/32/952793032.db2.gz QXPNVWLCOKJKGL-INIZCTEOSA-N -1 3 381.392 0.630 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)C(=O)OCc1ccccc1 ZINC001571171338 952793034 /nfs/dbraw/zinc/79/30/34/952793034.db2.gz QXPNVWLCOKJKGL-INIZCTEOSA-N -1 3 381.392 0.630 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ccncn1 ZINC001571171323 952793195 /nfs/dbraw/zinc/79/31/95/952793195.db2.gz QWLUOUWNOKXYAX-MNOVXSKESA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ccncn1 ZINC001571171323 952793197 /nfs/dbraw/zinc/79/31/97/952793197.db2.gz QWLUOUWNOKXYAX-MNOVXSKESA-N -1 3 381.400 0.408 20 0 GCADHM CN(C[C@H]1CCN1CCO[C@H]1CC1(F)F)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571171592 952794689 /nfs/dbraw/zinc/79/46/89/952794689.db2.gz STLSLGZCXQFTFB-YPMHNXCESA-N -1 3 381.387 0.765 20 0 GCADHM COc1cccc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571171625 952795189 /nfs/dbraw/zinc/79/51/89/952795189.db2.gz UESWCSCDKMNISN-JOCQHMNTSA-N -1 3 381.396 0.894 20 0 GCADHM COc1cccc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571171625 952795193 /nfs/dbraw/zinc/79/51/93/952795193.db2.gz UESWCSCDKMNISN-JOCQHMNTSA-N -1 3 381.396 0.894 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1occ2c1CCOC2 ZINC001571171810 952797990 /nfs/dbraw/zinc/79/79/90/952797990.db2.gz XDNUWUBWQBQWHH-CYBMUJFWSA-N -1 3 381.396 0.936 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1occ2c1CCOC2 ZINC001571171810 952797997 /nfs/dbraw/zinc/79/79/97/952797997.db2.gz XDNUWUBWQBQWHH-CYBMUJFWSA-N -1 3 381.396 0.936 20 0 GCADHM COc1nccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571174727 952813204 /nfs/dbraw/zinc/81/32/04/952813204.db2.gz GOJASHFIXOKIMZ-UHFFFAOYSA-N -1 3 381.400 0.459 20 0 GCADHM COc1nccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571174727 952813205 /nfs/dbraw/zinc/81/32/05/952813205.db2.gz GOJASHFIXOKIMZ-UHFFFAOYSA-N -1 3 381.400 0.459 20 0 GCADHM CNC(=O)N[C@H]1CCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001571174764 952814361 /nfs/dbraw/zinc/81/43/61/952814361.db2.gz HRIMARCSLXCHMZ-LBPRGKRZSA-N -1 3 381.400 0.957 20 0 GCADHM CNC(=O)N[C@H]1CCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001571174764 952814364 /nfs/dbraw/zinc/81/43/64/952814364.db2.gz HRIMARCSLXCHMZ-LBPRGKRZSA-N -1 3 381.400 0.957 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@H]2C)n1 ZINC001571174811 952814662 /nfs/dbraw/zinc/81/46/62/952814662.db2.gz IYQBBMRFZBLSKN-GXFFZTMASA-N -1 3 381.400 0.781 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@H]2C)n1 ZINC001571174811 952814668 /nfs/dbraw/zinc/81/46/68/952814668.db2.gz IYQBBMRFZBLSKN-GXFFZTMASA-N -1 3 381.400 0.781 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)ncn1 ZINC001571174885 952815298 /nfs/dbraw/zinc/81/52/98/952815298.db2.gz LMQPBKUKNPXNNP-QMTHXVAHSA-N -1 3 381.400 0.315 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)ncn1 ZINC001571174885 952815304 /nfs/dbraw/zinc/81/53/04/952815304.db2.gz LMQPBKUKNPXNNP-QMTHXVAHSA-N -1 3 381.400 0.315 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571174882 952815561 /nfs/dbraw/zinc/81/55/61/952815561.db2.gz LLUZGYCYBBGTET-UHFFFAOYSA-N -1 3 381.400 0.215 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571174882 952815573 /nfs/dbraw/zinc/81/55/73/952815573.db2.gz LLUZGYCYBBGTET-UHFFFAOYSA-N -1 3 381.400 0.215 20 0 GCADHM COc1nccc(C(=O)N2C[C@H](Nc3ncccc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC001571174831 952815593 /nfs/dbraw/zinc/81/55/93/952815593.db2.gz JUPXDWYDSCKSNP-GHMZBOCLSA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N2C[C@H](Nc3ncccc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001571174831 952815602 /nfs/dbraw/zinc/81/56/02/952815602.db2.gz JUPXDWYDSCKSNP-GHMZBOCLSA-N -1 3 381.400 0.775 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)ncn1 ZINC001571174857 952816148 /nfs/dbraw/zinc/81/61/48/952816148.db2.gz KPSOWDAEXCAHTA-PWSUYJOCSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)ncn1 ZINC001571174857 952816154 /nfs/dbraw/zinc/81/61/54/952816154.db2.gz KPSOWDAEXCAHTA-PWSUYJOCSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nc[nH]c1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571174855 952816295 /nfs/dbraw/zinc/81/62/95/952816295.db2.gz KPCZEBOPDRDAHO-ZWNOBZJWSA-N -1 3 381.400 0.213 20 0 GCADHM COc1cncc(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571175132 952817806 /nfs/dbraw/zinc/81/78/06/952817806.db2.gz QEUKROMPWPFAQJ-UHFFFAOYSA-N -1 3 381.400 0.775 20 0 GCADHM COc1cncc(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571175132 952817810 /nfs/dbraw/zinc/81/78/10/952817810.db2.gz QEUKROMPWPFAQJ-UHFFFAOYSA-N -1 3 381.400 0.775 20 0 GCADHM O=C(N[C@@H]1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1)c1cn[nH]c(=O)c1 ZINC001571175310 952819210 /nfs/dbraw/zinc/81/92/10/952819210.db2.gz ALOPOGCFRBFMLK-GXFFZTMASA-N -1 3 381.400 0.768 20 0 GCADHM O=C(N[C@@H]1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1)c1cn[nH]c(=O)c1 ZINC001571175310 952819216 /nfs/dbraw/zinc/81/92/16/952819216.db2.gz ALOPOGCFRBFMLK-GXFFZTMASA-N -1 3 381.400 0.768 20 0 GCADHM Cc1nccc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571175316 952819426 /nfs/dbraw/zinc/81/94/26/952819426.db2.gz APBIEORLZOYTMT-KLPPZKSPSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1nccc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571175316 952819432 /nfs/dbraw/zinc/81/94/32/952819432.db2.gz APBIEORLZOYTMT-KLPPZKSPSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1nccc(C(=O)NC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571175390 952820716 /nfs/dbraw/zinc/82/07/16/952820716.db2.gz BUTLFLVULKYCMA-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1nccc(C(=O)NC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571175390 952820725 /nfs/dbraw/zinc/82/07/25/952820725.db2.gz BUTLFLVULKYCMA-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM COc1ncc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001571175585 952821736 /nfs/dbraw/zinc/82/17/36/952821736.db2.gz VUESRBHQCBXLBJ-MJHDQNEOSA-N -1 3 381.400 0.681 20 0 GCADHM COc1ncc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001571175585 952821744 /nfs/dbraw/zinc/82/17/44/952821744.db2.gz VUESRBHQCBXLBJ-MJHDQNEOSA-N -1 3 381.400 0.681 20 0 GCADHM Cc1nnccc1C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571175754 952824469 /nfs/dbraw/zinc/82/44/69/952824469.db2.gz GVIFLEHSICBVOO-SECBINFHSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1nnccc1C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571175754 952824481 /nfs/dbraw/zinc/82/44/81/952824481.db2.gz GVIFLEHSICBVOO-SECBINFHSA-N -1 3 381.400 0.184 20 0 GCADHM COc1cc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)cn3)C2)ncn1 ZINC001571175740 952825372 /nfs/dbraw/zinc/82/53/72/952825372.db2.gz YIWXHVMKZWJSMW-UHFFFAOYSA-N -1 3 381.400 0.681 20 0 GCADHM COc1cc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)cn3)C2)ncn1 ZINC001571175740 952825375 /nfs/dbraw/zinc/82/53/75/952825375.db2.gz YIWXHVMKZWJSMW-UHFFFAOYSA-N -1 3 381.400 0.681 20 0 GCADHM Cc1ncncc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571175761 952825946 /nfs/dbraw/zinc/82/59/46/952825946.db2.gz GVLLPYDTUBSKLF-MWLCHTKSSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ncncc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571175761 952825951 /nfs/dbraw/zinc/82/59/51/952825951.db2.gz GVLLPYDTUBSKLF-MWLCHTKSSA-N -1 3 381.400 0.326 20 0 GCADHM O=C(Cc1cc[nH]n1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571176143 952829767 /nfs/dbraw/zinc/82/97/67/952829767.db2.gz MIOLXQKEHWXMAS-DYEKYZERSA-N -1 3 381.400 0.022 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)ccn2)cn1 ZINC001571176127 952829778 /nfs/dbraw/zinc/82/97/78/952829778.db2.gz LZJSOPLPUGDUFH-CYBMUJFWSA-N -1 3 381.400 0.030 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)ccn2)cn1 ZINC001571176127 952829781 /nfs/dbraw/zinc/82/97/81/952829781.db2.gz LZJSOPLPUGDUFH-CYBMUJFWSA-N -1 3 381.400 0.030 20 0 GCADHM Cc1ccnc(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571176305 952830420 /nfs/dbraw/zinc/83/04/20/952830420.db2.gz ORUSUXYPLSMRAQ-JTQLQIEISA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ccnc(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571176305 952830427 /nfs/dbraw/zinc/83/04/27/952830427.db2.gz ORUSUXYPLSMRAQ-JTQLQIEISA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571176319 952830931 /nfs/dbraw/zinc/83/09/31/952830931.db2.gz PCKLGKNVNQNPLQ-ZYHUDNBSSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571176319 952830934 /nfs/dbraw/zinc/83/09/34/952830934.db2.gz PCKLGKNVNQNPLQ-ZYHUDNBSSA-N -1 3 381.400 0.326 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001571176396 952831751 /nfs/dbraw/zinc/83/17/51/952831751.db2.gz RAQDZTLFEFOCDQ-SWHYSGLUSA-N -1 3 381.400 0.104 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001571176396 952831756 /nfs/dbraw/zinc/83/17/56/952831756.db2.gz RAQDZTLFEFOCDQ-SWHYSGLUSA-N -1 3 381.400 0.104 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cc(C2CC2)n[nH]1 ZINC001571176531 952832186 /nfs/dbraw/zinc/83/21/86/952832186.db2.gz SRSWANHVUUTHHH-NSHDSACASA-N -1 3 381.400 0.440 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cc(C2CC2)n[nH]1 ZINC001571176531 952832192 /nfs/dbraw/zinc/83/21/92/952832192.db2.gz SRSWANHVUUTHHH-NSHDSACASA-N -1 3 381.400 0.440 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)c1cnc2n1CCOC2 ZINC001571176574 952833378 /nfs/dbraw/zinc/83/33/78/952833378.db2.gz VBMSSISUPLGMBE-TXEJJXNPSA-N -1 3 381.400 0.361 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)c1cnc2n1CCOC2 ZINC001571176574 952833385 /nfs/dbraw/zinc/83/33/85/952833385.db2.gz VBMSSISUPLGMBE-TXEJJXNPSA-N -1 3 381.400 0.361 20 0 GCADHM O=C(N[C@@H]1CCC[C@H](NC(=O)c2ccncn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571176605 952833550 /nfs/dbraw/zinc/83/35/50/952833550.db2.gz VSAKJOMIAMTSBK-NEPJUHHUSA-N -1 3 381.400 0.456 20 0 GCADHM O=C(N[C@@H]1CCC[C@H](NC(=O)c2ccncn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571176605 952833556 /nfs/dbraw/zinc/83/35/56/952833556.db2.gz VSAKJOMIAMTSBK-NEPJUHHUSA-N -1 3 381.400 0.456 20 0 GCADHM Cc1nonc1C(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571176549 952833830 /nfs/dbraw/zinc/83/38/30/952833830.db2.gz UPQAFIGZWMGJDX-OLZOCXBDSA-N -1 3 381.400 0.694 20 0 GCADHM Cc1nonc1C(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571176549 952833834 /nfs/dbraw/zinc/83/38/34/952833834.db2.gz UPQAFIGZWMGJDX-OLZOCXBDSA-N -1 3 381.400 0.694 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1 ZINC001571176766 952834369 /nfs/dbraw/zinc/83/43/69/952834369.db2.gz XQHWPUGEOSIEKB-NOZJJQNGSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1 ZINC001571176766 952834372 /nfs/dbraw/zinc/83/43/72/952834372.db2.gz XQHWPUGEOSIEKB-NOZJJQNGSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ncncc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571176871 952835448 /nfs/dbraw/zinc/83/54/48/952835448.db2.gz YXZIJPMQQSMAJL-SECBINFHSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ncncc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571176871 952835453 /nfs/dbraw/zinc/83/54/53/952835453.db2.gz YXZIJPMQQSMAJL-SECBINFHSA-N -1 3 381.400 0.184 20 0 GCADHM C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571182936 952870635 /nfs/dbraw/zinc/87/06/35/952870635.db2.gz KCQDAHYDTVBIJQ-RZGOVVLZSA-N -1 3 381.440 0.626 20 0 GCADHM C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571182936 952870638 /nfs/dbraw/zinc/87/06/38/952870638.db2.gz KCQDAHYDTVBIJQ-RZGOVVLZSA-N -1 3 381.440 0.626 20 0 GCADHM C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1CN(c1ncccc1-c1nnn[n-]1)C2 ZINC001571183273 952875638 /nfs/dbraw/zinc/87/56/38/952875638.db2.gz VCRYHZZAUFTBNF-NFPQMFLLSA-N -1 3 381.440 0.439 20 0 GCADHM C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1CN(c1ncccc1-c1nn[n-]n1)C2 ZINC001571183273 952875639 /nfs/dbraw/zinc/87/56/39/952875639.db2.gz VCRYHZZAUFTBNF-NFPQMFLLSA-N -1 3 381.440 0.439 20 0 GCADHM CCc1c(C(=O)N(C)[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)cnn1C ZINC001571183520 952879839 /nfs/dbraw/zinc/87/98/39/952879839.db2.gz CLPCDSDJCLVAIW-GFCCVEGCSA-N -1 3 381.444 0.909 20 0 GCADHM CCc1c(C(=O)N(C)[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)cnn1C ZINC001571183520 952879840 /nfs/dbraw/zinc/87/98/40/952879840.db2.gz CLPCDSDJCLVAIW-GFCCVEGCSA-N -1 3 381.444 0.909 20 0 GCADHM C[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571183802 952883582 /nfs/dbraw/zinc/88/35/82/952883582.db2.gz JSZMDWBDIPLWDY-QWHCGFSZSA-N -1 3 381.444 0.744 20 0 GCADHM C[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571183802 952883586 /nfs/dbraw/zinc/88/35/86/952883586.db2.gz JSZMDWBDIPLWDY-QWHCGFSZSA-N -1 3 381.444 0.744 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571184235 952889662 /nfs/dbraw/zinc/88/96/62/952889662.db2.gz UMGHJKUTBPFODJ-DOMZBBRYSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571184235 952889665 /nfs/dbraw/zinc/88/96/65/952889665.db2.gz UMGHJKUTBPFODJ-DOMZBBRYSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccn(C)n2)CC[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571184430 952894260 /nfs/dbraw/zinc/89/42/60/952894260.db2.gz ZFXZHAUGTDWELT-DOMZBBRYSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccn(C)n2)CC[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571184430 952894269 /nfs/dbraw/zinc/89/42/69/952894269.db2.gz ZFXZHAUGTDWELT-DOMZBBRYSA-N -1 3 381.444 0.887 20 0 GCADHM CCn1ccc(CN2CCC3(CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)C2)n1 ZINC001571184842 952898785 /nfs/dbraw/zinc/89/87/85/952898785.db2.gz FCWXZTIUMYQAMM-UHFFFAOYSA-N -1 3 381.444 0.759 20 0 GCADHM CCn1ccc(CN2CCC3(CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)n1 ZINC001571184842 952898791 /nfs/dbraw/zinc/89/87/91/952898791.db2.gz FCWXZTIUMYQAMM-UHFFFAOYSA-N -1 3 381.444 0.759 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C ZINC001571185195 952901464 /nfs/dbraw/zinc/90/14/64/952901464.db2.gz JJSIHUIFZPKBTN-HNNXBMFYSA-N -1 3 381.444 0.867 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C ZINC001571185195 952901471 /nfs/dbraw/zinc/90/14/71/952901471.db2.gz JJSIHUIFZPKBTN-HNNXBMFYSA-N -1 3 381.444 0.867 20 0 GCADHM Cc1cc(C)n(CC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001571188171 952912478 /nfs/dbraw/zinc/91/24/78/952912478.db2.gz HINRFPJVKQMGJR-UHFFFAOYSA-N -1 3 381.444 0.860 20 0 GCADHM Cc1cc(C)n(CC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001571188171 952912485 /nfs/dbraw/zinc/91/24/85/952912485.db2.gz HINRFPJVKQMGJR-UHFFFAOYSA-N -1 3 381.444 0.860 20 0 GCADHM Cc1cnn(CC(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC001571188350 952913300 /nfs/dbraw/zinc/91/33/00/952913300.db2.gz JBGMNDQATQKKOB-UHFFFAOYSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1cnn(CC(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC001571188350 952913304 /nfs/dbraw/zinc/91/33/04/952913304.db2.gz JBGMNDQATQKKOB-UHFFFAOYSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571188361 952913424 /nfs/dbraw/zinc/91/34/24/952913424.db2.gz JIDOVKWNXWMXGR-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571188361 952913427 /nfs/dbraw/zinc/91/34/27/952913427.db2.gz JIDOVKWNXWMXGR-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)nn1C ZINC001571188334 952913516 /nfs/dbraw/zinc/91/35/16/952913516.db2.gz IRWJOEPLUIVVMQ-WQVCFCJDSA-N -1 3 381.444 0.772 20 0 GCADHM Cc1cc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)nn1C ZINC001571188334 952913520 /nfs/dbraw/zinc/91/35/20/952913520.db2.gz IRWJOEPLUIVVMQ-WQVCFCJDSA-N -1 3 381.444 0.772 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571188360 952913849 /nfs/dbraw/zinc/91/38/49/952913849.db2.gz JIDOVKWNXWMXGR-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571188360 952913855 /nfs/dbraw/zinc/91/38/55/952913855.db2.gz JIDOVKWNXWMXGR-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1nc(N2C[C@H](NC(=O)Cn3cccn3)C(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001571188950 952922478 /nfs/dbraw/zinc/92/24/78/952922478.db2.gz KPWNEVHCFJQMFT-AWEZNQCLSA-N -1 3 381.444 0.798 20 0 GCADHM Cc1nc(N2C[C@H](NC(=O)Cn3cccn3)C(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001571188950 952922481 /nfs/dbraw/zinc/92/24/81/952922481.db2.gz KPWNEVHCFJQMFT-AWEZNQCLSA-N -1 3 381.444 0.798 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571189241 952926216 /nfs/dbraw/zinc/92/62/16/952926216.db2.gz TXRUSWKCKYVFCU-CQSZACIVSA-N -1 3 381.444 0.929 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571189241 952926217 /nfs/dbraw/zinc/92/62/17/952926217.db2.gz TXRUSWKCKYVFCU-CQSZACIVSA-N -1 3 381.444 0.929 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571189596 952931569 /nfs/dbraw/zinc/93/15/69/952931569.db2.gz XYTWRROSEGGVDO-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571189596 952931575 /nfs/dbraw/zinc/93/15/75/952931575.db2.gz XYTWRROSEGGVDO-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cn1nccc1CN1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571189704 952933019 /nfs/dbraw/zinc/93/30/19/952933019.db2.gz RZBUEOUQQPZURX-UHFFFAOYSA-N -1 3 381.444 0.357 20 0 GCADHM Cn1ccc(CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571189812 952934877 /nfs/dbraw/zinc/93/48/77/952934877.db2.gz VSOLVOJHQGCZQL-SFHVURJKSA-N -1 3 381.444 0.888 20 0 GCADHM Cn1ccc(CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571189812 952934882 /nfs/dbraw/zinc/93/48/82/952934882.db2.gz VSOLVOJHQGCZQL-SFHVURJKSA-N -1 3 381.444 0.888 20 0 GCADHM Cc1nc(N(C)C[C@H]2CCN(C(=O)c3cnn(C)c3)C2)ccc1-c1nnn[n-]1 ZINC001571189875 952935774 /nfs/dbraw/zinc/93/57/74/952935774.db2.gz YGRZNCNYCYAVLI-CYBMUJFWSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1nc(N(C)C[C@H]2CCN(C(=O)c3cnn(C)c3)C2)ccc1-c1nn[n-]n1 ZINC001571189875 952935780 /nfs/dbraw/zinc/93/57/80/952935780.db2.gz YGRZNCNYCYAVLI-CYBMUJFWSA-N -1 3 381.444 0.902 20 0 GCADHM COc1ncccc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571193923 952954653 /nfs/dbraw/zinc/95/46/53/952954653.db2.gz BAKAPZQUKDGPJX-JTQLQIEISA-N -1 3 382.384 0.243 20 0 GCADHM COc1ncccc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571193923 952954657 /nfs/dbraw/zinc/95/46/57/952954657.db2.gz BAKAPZQUKDGPJX-JTQLQIEISA-N -1 3 382.384 0.243 20 0 GCADHM NC(=O)c1cc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nc3)C2)co1 ZINC001571194001 952955316 /nfs/dbraw/zinc/95/53/16/952955316.db2.gz DQISYWJQWUGLJW-UHFFFAOYSA-N -1 3 382.384 0.574 20 0 GCADHM NC(=O)c1cc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nc3)C2)co1 ZINC001571194001 952955324 /nfs/dbraw/zinc/95/53/24/952955324.db2.gz DQISYWJQWUGLJW-UHFFFAOYSA-N -1 3 382.384 0.574 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CC2)c1ccon1 ZINC001571193955 952955376 /nfs/dbraw/zinc/95/53/76/952955376.db2.gz BPORLSMACWJJLB-SUMWQHHRSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2)c1ccon1 ZINC001571193955 952955384 /nfs/dbraw/zinc/95/53/84/952955384.db2.gz BPORLSMACWJJLB-SUMWQHHRSA-N -1 3 382.384 0.750 20 0 GCADHM Cc1ncoc1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571194240 952959396 /nfs/dbraw/zinc/95/93/96/952959396.db2.gz JJARAQKAGJJDBP-GXFFZTMASA-N -1 3 382.384 0.478 20 0 GCADHM Cc1ncoc1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571194240 952959398 /nfs/dbraw/zinc/95/93/98/952959398.db2.gz JJARAQKAGJJDBP-GXFFZTMASA-N -1 3 382.384 0.478 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cnc(C2CC2)o1 ZINC001571194184 952960150 /nfs/dbraw/zinc/96/01/50/952960150.db2.gz HVLXQGIUQSAIIM-VXGBXAGGSA-N -1 3 382.384 0.107 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cnc(C2CC2)o1 ZINC001571194184 952960156 /nfs/dbraw/zinc/96/01/56/952960156.db2.gz HVLXQGIUQSAIIM-VXGBXAGGSA-N -1 3 382.384 0.107 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571194278 952960506 /nfs/dbraw/zinc/96/05/06/952960506.db2.gz JQIZUJCXNGAJDN-JTQLQIEISA-N -1 3 382.384 0.528 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571194278 952960510 /nfs/dbraw/zinc/96/05/10/952960510.db2.gz JQIZUJCXNGAJDN-JTQLQIEISA-N -1 3 382.384 0.528 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3ccc(C(N)=O)o3)C2)ccc1-c1nnn[n-]1 ZINC001571194354 952962095 /nfs/dbraw/zinc/96/20/95/952962095.db2.gz KYLGBRLEYUDJDT-JTQLQIEISA-N -1 3 382.384 0.271 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3ccc(C(N)=O)o3)C2)ccc1-c1nn[n-]n1 ZINC001571194354 952962098 /nfs/dbraw/zinc/96/20/98/952962098.db2.gz KYLGBRLEYUDJDT-JTQLQIEISA-N -1 3 382.384 0.271 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2ncoc2C2CC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194441 952963218 /nfs/dbraw/zinc/96/32/18/952963218.db2.gz MXUPDALKDRSSMW-XYPYZODXSA-N -1 3 382.384 0.751 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2ncoc2C2CC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194441 952963221 /nfs/dbraw/zinc/96/32/21/952963221.db2.gz MXUPDALKDRSSMW-XYPYZODXSA-N -1 3 382.384 0.751 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571194445 952963515 /nfs/dbraw/zinc/96/35/15/952963515.db2.gz NAHXGCQDINXNIR-JTQLQIEISA-N -1 3 382.384 0.282 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571194445 952963521 /nfs/dbraw/zinc/96/35/21/952963521.db2.gz NAHXGCQDINXNIR-JTQLQIEISA-N -1 3 382.384 0.282 20 0 GCADHM NC(=O)c1cc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571194451 952963653 /nfs/dbraw/zinc/96/36/53/952963653.db2.gz NEIDBKWGRJCVGD-SNVBAGLBSA-N -1 3 382.384 0.528 20 0 GCADHM NC(=O)c1cc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571194451 952963658 /nfs/dbraw/zinc/96/36/58/952963658.db2.gz NEIDBKWGRJCVGD-SNVBAGLBSA-N -1 3 382.384 0.528 20 0 GCADHM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001571194486 952963682 /nfs/dbraw/zinc/96/36/82/952963682.db2.gz NVOSONVTWYBNKR-LQJRIPTKSA-N -1 3 382.384 0.667 20 0 GCADHM Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001571194486 952963688 /nfs/dbraw/zinc/96/36/88/952963688.db2.gz NVOSONVTWYBNKR-LQJRIPTKSA-N -1 3 382.384 0.667 20 0 GCADHM O=C(Cc1ccon1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001571194510 952964329 /nfs/dbraw/zinc/96/43/29/952964329.db2.gz OGHVLMZZTKKHFF-BZPMIXESSA-N -1 3 382.384 0.287 20 0 GCADHM O=C(Cc1ccon1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571194510 952964337 /nfs/dbraw/zinc/96/43/37/952964337.db2.gz OGHVLMZZTKKHFF-BZPMIXESSA-N -1 3 382.384 0.287 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1C(=O)c1cc[nH]c(=O)c1 ZINC001571194507 952964645 /nfs/dbraw/zinc/96/46/45/952964645.db2.gz OFZZHIDCDCGRCP-MWLCHTKSSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CN1C(=O)c1cc[nH]c(=O)c1 ZINC001571194507 952964647 /nfs/dbraw/zinc/96/46/47/952964647.db2.gz OFZZHIDCDCGRCP-MWLCHTKSSA-N -1 3 382.384 0.328 20 0 GCADHM NC(=O)Cc1occc1C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571194648 952965452 /nfs/dbraw/zinc/96/54/52/952965452.db2.gz PQNFZMYNMSYGJN-JTQLQIEISA-N -1 3 382.384 0.209 20 0 GCADHM NC(=O)Cc1occc1C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571194648 952965456 /nfs/dbraw/zinc/96/54/56/952965456.db2.gz PQNFZMYNMSYGJN-JTQLQIEISA-N -1 3 382.384 0.209 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(C(=O)c1cnco1)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194635 952965559 /nfs/dbraw/zinc/96/55/59/952965559.db2.gz PFWJYWYCMIISNZ-GUYCJALGSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(C(=O)c1cnco1)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194635 952965564 /nfs/dbraw/zinc/96/55/64/952965564.db2.gz PFWJYWYCMIISNZ-GUYCJALGSA-N -1 3 382.384 0.750 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)c1cccc(=O)[nH]1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194628 952965608 /nfs/dbraw/zinc/96/56/08/952965608.db2.gz PDSPOFNTMAHEIL-NSHDSACASA-N -1 3 382.384 0.282 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)c1cccc(=O)[nH]1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194628 952965612 /nfs/dbraw/zinc/96/56/12/952965612.db2.gz PDSPOFNTMAHEIL-NSHDSACASA-N -1 3 382.384 0.282 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(=O)[nH]1 ZINC001571194676 952966992 /nfs/dbraw/zinc/96/69/92/952966992.db2.gz QIUYRFAUKOLWRF-LLVKDONJSA-N -1 3 382.384 0.248 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(=O)[nH]1 ZINC001571194676 952966993 /nfs/dbraw/zinc/96/69/93/952966993.db2.gz QIUYRFAUKOLWRF-LLVKDONJSA-N -1 3 382.384 0.248 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21)c1cn[nH]c(=O)c1 ZINC001571194703 952967414 /nfs/dbraw/zinc/96/74/14/952967414.db2.gz RFMULRFLQSFWTF-RTUWITSCSA-N -1 3 382.359 0.366 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21)c1cn[nH]c(=O)c1 ZINC001571194703 952967419 /nfs/dbraw/zinc/96/74/19/952967419.db2.gz RFMULRFLQSFWTF-RTUWITSCSA-N -1 3 382.359 0.366 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(C(=O)c1ccon1)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571195051 952972731 /nfs/dbraw/zinc/97/27/31/952972731.db2.gz XAAUFWQPFVMOFW-SUMWQHHRSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(C(=O)c1ccon1)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571195051 952972734 /nfs/dbraw/zinc/97/27/34/952972734.db2.gz XAAUFWQPFVMOFW-SUMWQHHRSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2)c1cocn1 ZINC001571195083 952973165 /nfs/dbraw/zinc/97/31/65/952973165.db2.gz XXWMONAOMFOTSK-BTDLBPIBSA-N -1 3 382.384 0.608 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2)c1cocn1 ZINC001571195083 952973169 /nfs/dbraw/zinc/97/31/69/952973169.db2.gz XXWMONAOMFOTSK-BTDLBPIBSA-N -1 3 382.384 0.608 20 0 GCADHM C[C@@]1(NC(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CCOC1=O ZINC001571195079 952974115 /nfs/dbraw/zinc/97/41/15/952974115.db2.gz XTHQWCOUNVZONL-QGZVFWFLSA-N -1 3 382.384 0.939 20 0 GCADHM C[C@@]1(NC(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CCOC1=O ZINC001571195079 952974120 /nfs/dbraw/zinc/97/41/20/952974120.db2.gz XTHQWCOUNVZONL-QGZVFWFLSA-N -1 3 382.384 0.939 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1coc(CO)c1 ZINC001571195142 952975527 /nfs/dbraw/zinc/97/55/27/952975527.db2.gz ZWWAHLOTBJGKOF-HNNXBMFYSA-N -1 3 382.380 0.877 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1coc(CO)c1 ZINC001571195142 952975533 /nfs/dbraw/zinc/97/55/33/952975533.db2.gz ZWWAHLOTBJGKOF-HNNXBMFYSA-N -1 3 382.380 0.877 20 0 GCADHM Cc1cncc(CC(=O)N2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)c1 ZINC001571196127 952980112 /nfs/dbraw/zinc/98/01/12/952980112.db2.gz HNYAXIBLVHJJOZ-UHFFFAOYSA-N -1 3 382.403 0.996 20 0 GCADHM Cc1cncc(CC(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)c1 ZINC001571196127 952980116 /nfs/dbraw/zinc/98/01/16/952980116.db2.gz HNYAXIBLVHJJOZ-UHFFFAOYSA-N -1 3 382.403 0.996 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4-c4nnn[n-]4)C[C@H]32)c1 ZINC001571197211 952987543 /nfs/dbraw/zinc/98/75/43/952987543.db2.gz UKGSZTRLZWVDBN-PBKGOJFUSA-N -1 3 382.403 0.762 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4-c4nn[n-]n4)C[C@H]32)c1 ZINC001571197211 952987544 /nfs/dbraw/zinc/98/75/44/952987544.db2.gz UKGSZTRLZWVDBN-PBKGOJFUSA-N -1 3 382.403 0.762 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC(NC(=O)c2cc(C)nn2C)C1 ZINC001571198508 952990661 /nfs/dbraw/zinc/99/06/61/952990661.db2.gz AIZBAGMXLFBJIT-UHFFFAOYSA-N -1 3 382.428 0.531 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1O ZINC001571199056 952996047 /nfs/dbraw/zinc/99/60/47/952996047.db2.gz KTEUYVNWLSZNFP-CABCVRRESA-N -1 3 382.428 0.576 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001571199056 952996048 /nfs/dbraw/zinc/99/60/48/952996048.db2.gz KTEUYVNWLSZNFP-CABCVRRESA-N -1 3 382.428 0.576 20 0 GCADHM Cc1c(C(=O)NC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)ccn1C ZINC001571199070 952996466 /nfs/dbraw/zinc/99/64/66/952996466.db2.gz KZXSIMZIJZTSEL-UHFFFAOYSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1c(C(=O)NC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)ccn1C ZINC001571199070 952996468 /nfs/dbraw/zinc/99/64/68/952996468.db2.gz KZXSIMZIJZTSEL-UHFFFAOYSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1[nH]ccc1C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001571199252 952997455 /nfs/dbraw/zinc/99/74/55/952997455.db2.gz OLJQSNAUVLUOLG-ZWNOBZJWSA-N -1 3 382.428 0.969 20 0 GCADHM Cc1[nH]ccc1C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001571199252 952997462 /nfs/dbraw/zinc/99/74/62/952997462.db2.gz OLJQSNAUVLUOLG-ZWNOBZJWSA-N -1 3 382.428 0.969 20 0 GCADHM CCc1[nH]ccc1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571199187 952997556 /nfs/dbraw/zinc/99/75/56/952997556.db2.gz MWWXLBGJLVPUME-CABCVRRESA-N -1 3 382.428 0.440 20 0 GCADHM CCc1[nH]ccc1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571199187 952997565 /nfs/dbraw/zinc/99/75/65/952997565.db2.gz MWWXLBGJLVPUME-CABCVRRESA-N -1 3 382.428 0.440 20 0 GCADHM COc1ccnc(CN2CC[C@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001571199673 953002954 /nfs/dbraw/zinc/00/29/54/953002954.db2.gz YRIALFFVFRLLEF-AWEZNQCLSA-N -1 3 382.428 0.945 20 0 GCADHM COc1ccnc(CN2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001571199673 953002961 /nfs/dbraw/zinc/00/29/61/953002961.db2.gz YRIALFFVFRLLEF-AWEZNQCLSA-N -1 3 382.428 0.945 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccc1 ZINC001571199784 953005290 /nfs/dbraw/zinc/00/52/90/953005290.db2.gz BWTBYTMNABXCDM-ZDUSSCGKSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccc1 ZINC001571199784 953005296 /nfs/dbraw/zinc/00/52/96/953005296.db2.gz BWTBYTMNABXCDM-ZDUSSCGKSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001571199921 953005467 /nfs/dbraw/zinc/00/54/67/953005467.db2.gz CRPPIKGAEUBYOM-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001571199921 953005469 /nfs/dbraw/zinc/00/54/69/953005469.db2.gz CRPPIKGAEUBYOM-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1C ZINC001571200033 953006033 /nfs/dbraw/zinc/00/60/33/953006033.db2.gz AAZZZHTWQZBONM-ZDUSSCGKSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1C ZINC001571200033 953006037 /nfs/dbraw/zinc/00/60/37/953006037.db2.gz AAZZZHTWQZBONM-ZDUSSCGKSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)c(C)[nH]1 ZINC001571200474 953008963 /nfs/dbraw/zinc/00/89/63/953008963.db2.gz CIUQFSXWCNSQCF-LSDHHAIUSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c(C)[nH]1 ZINC001571200474 953008965 /nfs/dbraw/zinc/00/89/65/953008965.db2.gz CIUQFSXWCNSQCF-LSDHHAIUSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1C ZINC001571200864 953012667 /nfs/dbraw/zinc/01/26/67/953012667.db2.gz HBSQRNFCTXESRZ-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1C ZINC001571200864 953012670 /nfs/dbraw/zinc/01/26/70/953012670.db2.gz HBSQRNFCTXESRZ-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2-c2nnn[n-]2)[nH]n1 ZINC001571201071 953014173 /nfs/dbraw/zinc/01/41/73/953014173.db2.gz JGIYAOKTBZYFBC-CQSZACIVSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2COCCN2Cc2ccccc2-c2nn[n-]n2)[nH]n1 ZINC001571201071 953014175 /nfs/dbraw/zinc/01/41/75/953014175.db2.gz JGIYAOKTBZYFBC-CQSZACIVSA-N -1 3 382.428 0.529 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccc1 ZINC001571201112 953015343 /nfs/dbraw/zinc/01/53/43/953015343.db2.gz MTYSWOYZPDAOGS-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccc1 ZINC001571201112 953015345 /nfs/dbraw/zinc/01/53/45/953015345.db2.gz MTYSWOYZPDAOGS-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)n1C ZINC001571201312 953016113 /nfs/dbraw/zinc/01/61/13/953016113.db2.gz JYCBTHKGOFQHMC-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)n1C ZINC001571201312 953016118 /nfs/dbraw/zinc/01/61/18/953016118.db2.gz JYCBTHKGOFQHMC-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H](C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001571201523 953018946 /nfs/dbraw/zinc/01/89/46/953018946.db2.gz QZJQLMKKOXZVOR-SNVBAGLBSA-N -1 3 382.421 0.088 20 0 GCADHM C[C@H](C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001571201523 953018950 /nfs/dbraw/zinc/01/89/50/953018950.db2.gz QZJQLMKKOXZVOR-SNVBAGLBSA-N -1 3 382.421 0.088 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)n1C ZINC001571201741 953019393 /nfs/dbraw/zinc/01/93/93/953019393.db2.gz NSXJTWCSTORSQZ-CYBMUJFWSA-N -1 3 382.428 0.795 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)n1C ZINC001571201741 953019396 /nfs/dbraw/zinc/01/93/96/953019396.db2.gz NSXJTWCSTORSQZ-CYBMUJFWSA-N -1 3 382.428 0.795 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cccn1C ZINC001571202446 953025970 /nfs/dbraw/zinc/02/59/70/953025970.db2.gz XGDGGAFINCZASC-NEPJUHHUSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cccn1C ZINC001571202446 953025976 /nfs/dbraw/zinc/02/59/76/953025976.db2.gz XGDGGAFINCZASC-NEPJUHHUSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571204581 953029941 /nfs/dbraw/zinc/02/99/41/953029941.db2.gz BGYQRAMTHFCWIA-WCQYABFASA-N -1 3 382.432 0.106 20 0 GCADHM CCC1(Nc2ncccc2-c2nnn[n-]2)CCN(C(=O)Cn2cncn2)CC1 ZINC001571204527 953030101 /nfs/dbraw/zinc/03/01/01/953030101.db2.gz ADEKSDLLTHRNPS-UHFFFAOYSA-N -1 3 382.432 0.737 20 0 GCADHM CCC1(Nc2ncccc2-c2nn[n-]n2)CCN(C(=O)Cn2cncn2)CC1 ZINC001571204527 953030107 /nfs/dbraw/zinc/03/01/07/953030107.db2.gz ADEKSDLLTHRNPS-UHFFFAOYSA-N -1 3 382.432 0.737 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571204583 953030662 /nfs/dbraw/zinc/03/06/62/953030662.db2.gz BGYQRAMTHFCWIA-YPMHNXCESA-N -1 3 382.432 0.106 20 0 GCADHM CCc1nc(N[C@@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571204833 953032310 /nfs/dbraw/zinc/03/23/10/953032310.db2.gz CNURRGVUXUTSNT-LLVKDONJSA-N -1 3 382.432 0.588 20 0 GCADHM CCc1nc(N[C@@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571204833 953032318 /nfs/dbraw/zinc/03/23/18/953032318.db2.gz CNURRGVUXUTSNT-LLVKDONJSA-N -1 3 382.432 0.588 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571204970 953034784 /nfs/dbraw/zinc/03/47/84/953034784.db2.gz DZTQSDMJDVOSFD-MJBXVCDLSA-N -1 3 382.428 0.110 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571204970 953034789 /nfs/dbraw/zinc/03/47/89/953034789.db2.gz DZTQSDMJDVOSFD-MJBXVCDLSA-N -1 3 382.428 0.110 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571205025 953035290 /nfs/dbraw/zinc/03/52/90/953035290.db2.gz FPHZTAQCSRILBL-LBPRGKRZSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571205025 953035295 /nfs/dbraw/zinc/03/52/95/953035295.db2.gz FPHZTAQCSRILBL-LBPRGKRZSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571205171 953036188 /nfs/dbraw/zinc/03/61/88/953036188.db2.gz GVFPCIBPLQPYPS-JSGCOSHPSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571205171 953036193 /nfs/dbraw/zinc/03/61/93/953036193.db2.gz GVFPCIBPLQPYPS-JSGCOSHPSA-N -1 3 382.432 0.450 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205453 953037843 /nfs/dbraw/zinc/03/78/43/953037843.db2.gz JFWVUMTXQVBSHF-MNOVXSKESA-N -1 3 382.432 0.905 20 0 GCADHM CCc1nnc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc1CC ZINC001571205970 953045061 /nfs/dbraw/zinc/04/50/61/953045061.db2.gz PIFCVOCTKCXUJA-XYPYZODXSA-N -1 3 382.432 0.878 20 0 GCADHM CCc1nnc(N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc1CC ZINC001571205970 953045066 /nfs/dbraw/zinc/04/50/66/953045066.db2.gz PIFCVOCTKCXUJA-XYPYZODXSA-N -1 3 382.432 0.878 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571205955 953045192 /nfs/dbraw/zinc/04/51/92/953045192.db2.gz OXESJJJYKSHNFX-AAEUAGOBSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571205955 953045194 /nfs/dbraw/zinc/04/51/94/953045194.db2.gz OXESJJJYKSHNFX-AAEUAGOBSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206325 953050268 /nfs/dbraw/zinc/05/02/68/953050268.db2.gz TYQBGYGOIUDZDO-NEPJUHHUSA-N -1 3 382.432 0.662 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@@H]([C@H](C)Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571206695 953054079 /nfs/dbraw/zinc/05/40/79/953054079.db2.gz JKGRZBQAMLBKCS-NWDGAFQWSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@@H]([C@H](C)Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571206695 953054083 /nfs/dbraw/zinc/05/40/83/953054083.db2.gz JKGRZBQAMLBKCS-NWDGAFQWSA-N -1 3 382.432 0.836 20 0 GCADHM C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001571206769 953054988 /nfs/dbraw/zinc/05/49/88/953054988.db2.gz XEMCTKPWAWPJOQ-LLVKDONJSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001571206769 953054993 /nfs/dbraw/zinc/05/49/93/953054993.db2.gz XEMCTKPWAWPJOQ-LLVKDONJSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571206753 953055041 /nfs/dbraw/zinc/05/50/41/953055041.db2.gz XBYDDOZBCXZKFR-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571206753 953055043 /nfs/dbraw/zinc/05/50/43/953055043.db2.gz XBYDDOZBCXZKFR-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM CCn1cc(CC(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571206762 953055105 /nfs/dbraw/zinc/05/51/05/953055105.db2.gz KNLSWFVBCUPRRS-YPMHNXCESA-N -1 3 382.432 0.375 20 0 GCADHM CCn1cc(CC(=O)N2C[C@@H](C)[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571206762 953055109 /nfs/dbraw/zinc/05/51/09/953055109.db2.gz KNLSWFVBCUPRRS-YPMHNXCESA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571206763 953055232 /nfs/dbraw/zinc/05/52/32/953055232.db2.gz XDYOFQCGVAKAKE-VXGBXAGGSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571206763 953055233 /nfs/dbraw/zinc/05/52/33/953055233.db2.gz XDYOFQCGVAKAKE-VXGBXAGGSA-N -1 3 382.432 0.282 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@@H]2C)nnn1C ZINC001571206772 953055418 /nfs/dbraw/zinc/05/54/18/953055418.db2.gz KOMLPJCLFYUFRF-GWCFXTLKSA-N -1 3 382.432 0.804 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@@H]2C)nnn1C ZINC001571206772 953055424 /nfs/dbraw/zinc/05/54/24/953055424.db2.gz KOMLPJCLFYUFRF-GWCFXTLKSA-N -1 3 382.432 0.804 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@H]2C)n1 ZINC001571206807 953056061 /nfs/dbraw/zinc/05/60/61/953056061.db2.gz KUAPKUYPOPBYLZ-PWSUYJOCSA-N -1 3 382.432 0.899 20 0 GCADHM CCc1c[nH]c(CC(=O)N2C[C@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571206996 953058291 /nfs/dbraw/zinc/05/82/91/953058291.db2.gz ZBUVFBAMDGKEFJ-GXFFZTMASA-N -1 3 382.432 0.444 20 0 GCADHM Cn1cc(CNC(=O)N2CC[C@@](C)(O)C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001571206976 953058441 /nfs/dbraw/zinc/05/84/41/953058441.db2.gz VMVFOHGDLGVXIT-GOSISDBHSA-N -1 3 382.428 0.934 20 0 GCADHM Cn1cc(CNC(=O)N2CC[C@@](C)(O)C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571206976 953058443 /nfs/dbraw/zinc/05/84/43/953058443.db2.gz VMVFOHGDLGVXIT-GOSISDBHSA-N -1 3 382.428 0.934 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571207219 953061299 /nfs/dbraw/zinc/06/12/99/953061299.db2.gz XKEAMKAANKTABG-LBPRGKRZSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571207219 953061303 /nfs/dbraw/zinc/06/13/03/953061303.db2.gz XKEAMKAANKTABG-LBPRGKRZSA-N -1 3 382.432 0.690 20 0 GCADHM CCn1ncc(C(=O)NC2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)n1 ZINC001571207475 953063337 /nfs/dbraw/zinc/06/33/37/953063337.db2.gz SVSFVFCBXCOXQY-UHFFFAOYSA-N -1 3 382.432 0.580 20 0 GCADHM CCn1ncc(C(=O)NC2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)n1 ZINC001571207475 953063339 /nfs/dbraw/zinc/06/33/39/953063339.db2.gz SVSFVFCBXCOXQY-UHFFFAOYSA-N -1 3 382.432 0.580 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)Cc1cnc[nH]1)c1cncc(-c2nnn[n-]2)n1 ZINC001571207497 953063372 /nfs/dbraw/zinc/06/33/72/953063372.db2.gz UPNRECHXULQIHG-CYBMUJFWSA-N -1 3 382.432 0.440 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)Cc1cnc[nH]1)c1cncc(-c2nn[n-]n2)n1 ZINC001571207497 953063374 /nfs/dbraw/zinc/06/33/74/953063374.db2.gz UPNRECHXULQIHG-CYBMUJFWSA-N -1 3 382.432 0.440 20 0 GCADHM CCn1nc(C)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571207628 953065065 /nfs/dbraw/zinc/06/50/65/953065065.db2.gz YJBJUZXKRQBMEF-LBPRGKRZSA-N -1 3 382.432 0.580 20 0 GCADHM CCn1nc(C)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571207628 953065067 /nfs/dbraw/zinc/06/50/67/953065067.db2.gz YJBJUZXKRQBMEF-LBPRGKRZSA-N -1 3 382.432 0.580 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571207690 953065918 /nfs/dbraw/zinc/06/59/18/953065918.db2.gz ZVQFFRUBLPICCJ-CHWSQXEVSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571207690 953065922 /nfs/dbraw/zinc/06/59/22/953065922.db2.gz ZVQFFRUBLPICCJ-CHWSQXEVSA-N -1 3 382.432 0.450 20 0 GCADHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC001571210033 953070622 /nfs/dbraw/zinc/07/06/22/953070622.db2.gz MDNQFLJVEUIIDB-LLVKDONJSA-N -1 3 382.446 0.772 20 0 GCADHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C ZINC001571210033 953070626 /nfs/dbraw/zinc/07/06/26/953070626.db2.gz MDNQFLJVEUIIDB-LLVKDONJSA-N -1 3 382.446 0.772 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001571210582 953073174 /nfs/dbraw/zinc/07/31/74/953073174.db2.gz SWUBMSRJDHWOFA-CYBMUJFWSA-N -1 3 382.432 0.425 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001571210582 953073178 /nfs/dbraw/zinc/07/31/78/953073178.db2.gz SWUBMSRJDHWOFA-CYBMUJFWSA-N -1 3 382.432 0.425 20 0 GCADHM Cn1ncc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571210650 953074240 /nfs/dbraw/zinc/07/42/40/953074240.db2.gz VGESZHGSMMXONG-LSDHHAIUSA-N -1 3 382.432 0.202 20 0 GCADHM Cn1ncc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571210650 953074246 /nfs/dbraw/zinc/07/42/46/953074246.db2.gz VGESZHGSMMXONG-LSDHHAIUSA-N -1 3 382.432 0.202 20 0 GCADHM CCOC(=O)[C@H](C[C@H](C)CC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571210855 953074937 /nfs/dbraw/zinc/07/49/37/953074937.db2.gz YMKDNHFBJXWLEV-PWSUYJOCSA-N -1 3 382.446 0.908 20 0 GCADHM CCOC(=O)[C@H](C[C@H](C)CC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571210855 953074940 /nfs/dbraw/zinc/07/49/40/953074940.db2.gz YMKDNHFBJXWLEV-PWSUYJOCSA-N -1 3 382.446 0.908 20 0 GCADHM CCOC(=O)[C@@H](C[C@H](C)CC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571210856 953075527 /nfs/dbraw/zinc/07/55/27/953075527.db2.gz YMKDNHFBJXWLEV-ZYHUDNBSSA-N -1 3 382.446 0.908 20 0 GCADHM CCOC(=O)[C@@H](C[C@H](C)CC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571210856 953075530 /nfs/dbraw/zinc/07/55/30/953075530.db2.gz YMKDNHFBJXWLEV-ZYHUDNBSSA-N -1 3 382.446 0.908 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001571211491 953077286 /nfs/dbraw/zinc/07/72/86/953077286.db2.gz BSHJOINETYDVGH-CYBMUJFWSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571211491 953077290 /nfs/dbraw/zinc/07/72/90/953077290.db2.gz BSHJOINETYDVGH-CYBMUJFWSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571211847 953081305 /nfs/dbraw/zinc/08/13/05/953081305.db2.gz HHJKDFHFXRYZMP-DGCLKSJQSA-N -1 3 382.432 0.368 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571211847 953081309 /nfs/dbraw/zinc/08/13/09/953081309.db2.gz HHJKDFHFXRYZMP-DGCLKSJQSA-N -1 3 382.432 0.368 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211848 953082051 /nfs/dbraw/zinc/08/20/51/953082051.db2.gz HHJKDFHFXRYZMP-WCQYABFASA-N -1 3 382.432 0.368 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211848 953082056 /nfs/dbraw/zinc/08/20/56/953082056.db2.gz HHJKDFHFXRYZMP-WCQYABFASA-N -1 3 382.432 0.368 20 0 GCADHM Cn1ccnc1CCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571212158 953084849 /nfs/dbraw/zinc/08/48/49/953084849.db2.gz KFODJLYFUITLTG-GFCCVEGCSA-N -1 3 382.432 0.426 20 0 GCADHM Cn1ccnc1CCC(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571212159 953085316 /nfs/dbraw/zinc/08/53/16/953085316.db2.gz KFODJLYFUITLTG-LBPRGKRZSA-N -1 3 382.432 0.426 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)c(C)n2)[nH]1 ZINC001571212145 953085488 /nfs/dbraw/zinc/08/54/88/953085488.db2.gz JTIOIFXIHDCYHR-GFCCVEGCSA-N -1 3 382.432 0.642 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001571212378 953087744 /nfs/dbraw/zinc/08/77/44/953087744.db2.gz NBVIKZKJVKFXPD-CYBMUJFWSA-N -1 3 382.432 0.343 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)c3cn(C)nn3)C(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001571212378 953087745 /nfs/dbraw/zinc/08/77/45/953087745.db2.gz NBVIKZKJVKFXPD-CYBMUJFWSA-N -1 3 382.432 0.343 20 0 GCADHM Cc1nc(C)c(C(=O)N2CC[C@@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571212400 953088087 /nfs/dbraw/zinc/08/80/87/953088087.db2.gz NTKONOPHVOCJGJ-LBPRGKRZSA-N -1 3 382.432 0.595 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571212372 953088491 /nfs/dbraw/zinc/08/84/91/953088491.db2.gz MTYHFYNQMTZPPL-WCQYABFASA-N -1 3 382.432 0.791 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571212372 953088494 /nfs/dbraw/zinc/08/84/94/953088494.db2.gz MTYHFYNQMTZPPL-WCQYABFASA-N -1 3 382.432 0.791 20 0 GCADHM Cc1cncn1CC(=O)N1CCC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571212772 953090054 /nfs/dbraw/zinc/09/00/54/953090054.db2.gz OYTCJEIWSKPIOG-CYBMUJFWSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1cncn1CC(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571212772 953090058 /nfs/dbraw/zinc/09/00/58/953090058.db2.gz OYTCJEIWSKPIOG-CYBMUJFWSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1nc(N[C@H](C)[C@@H]2CCN(C(=O)Cn3cncn3)C2)ccc1-c1nnn[n-]1 ZINC001571212834 953090787 /nfs/dbraw/zinc/09/07/87/953090787.db2.gz PNTSVYONUUKSLP-DGCLKSJQSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nc(N[C@H](C)[C@@H]2CCN(C(=O)Cn3cncn3)C2)ccc1-c1nn[n-]n1 ZINC001571212834 953090790 /nfs/dbraw/zinc/09/07/90/953090790.db2.gz PNTSVYONUUKSLP-DGCLKSJQSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cncn1CC(=O)N1CCC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571212775 953090798 /nfs/dbraw/zinc/09/07/98/953090798.db2.gz OYTCJEIWSKPIOG-ZDUSSCGKSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1cncn1CC(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571212775 953090799 /nfs/dbraw/zinc/09/07/99/953090799.db2.gz OYTCJEIWSKPIOG-ZDUSSCGKSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCC[C@@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571213178 953093020 /nfs/dbraw/zinc/09/30/20/953093020.db2.gz ROVIEVQPPUVOKD-NWDGAFQWSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCC[C@@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571213178 953093022 /nfs/dbraw/zinc/09/30/22/953093022.db2.gz ROVIEVQPPUVOKD-NWDGAFQWSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)nnn1C ZINC001571213145 953093130 /nfs/dbraw/zinc/09/31/30/953093130.db2.gz RJEFIFDHGKQMKN-GFCCVEGCSA-N -1 3 382.432 0.406 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)nnn1C ZINC001571213145 953093132 /nfs/dbraw/zinc/09/31/32/953093132.db2.gz RJEFIFDHGKQMKN-GFCCVEGCSA-N -1 3 382.432 0.406 20 0 GCADHM Cc1cncn1CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001571213174 953093769 /nfs/dbraw/zinc/09/37/69/953093769.db2.gz ROQFRMIPVXKYIS-ZDUSSCGKSA-N -1 3 382.432 0.289 20 0 GCADHM Cc1cncn1CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001571213174 953093773 /nfs/dbraw/zinc/09/37/73/953093773.db2.gz ROQFRMIPVXKYIS-ZDUSSCGKSA-N -1 3 382.432 0.289 20 0 GCADHM Cc1nc(C)c(C(=O)N2CC[C@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571213428 953094118 /nfs/dbraw/zinc/09/41/18/953094118.db2.gz SPWZNRMJDOXUJF-LBPRGKRZSA-N -1 3 382.432 0.961 20 0 GCADHM Cn1ncc(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1N ZINC001571213464 953095053 /nfs/dbraw/zinc/09/50/53/953095053.db2.gz ULTLGXPADBSGGA-UHFFFAOYSA-N -1 3 382.432 0.224 20 0 GCADHM Cn1ncc(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1N ZINC001571213464 953095057 /nfs/dbraw/zinc/09/50/57/953095057.db2.gz ULTLGXPADBSGGA-UHFFFAOYSA-N -1 3 382.432 0.224 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)n1 ZINC001571213844 953097163 /nfs/dbraw/zinc/09/71/63/953097163.db2.gz XMSDKWCVEBPTCK-STQMWFEESA-N -1 3 382.432 0.826 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)n1 ZINC001571213844 953097168 /nfs/dbraw/zinc/09/71/68/953097168.db2.gz XMSDKWCVEBPTCK-STQMWFEESA-N -1 3 382.432 0.826 20 0 GCADHM Cc1cn(C(C)(C)C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571213822 953097418 /nfs/dbraw/zinc/09/74/18/953097418.db2.gz WXCDIIZRZSDQEH-LBPRGKRZSA-N -1 3 382.432 0.610 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571214218 953100373 /nfs/dbraw/zinc/10/03/73/953100373.db2.gz ZILAJPDBFHKKMU-QGZVFWFLSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571214218 953100376 /nfs/dbraw/zinc/10/03/76/953100376.db2.gz ZILAJPDBFHKKMU-QGZVFWFLSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](N(C)c3nc(C)ccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571214231 953100979 /nfs/dbraw/zinc/10/09/79/953100979.db2.gz ZPVYTYDUDGFDOI-LBPRGKRZSA-N -1 3 382.432 0.276 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](N(C)c3nc(C)ccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571214231 953100982 /nfs/dbraw/zinc/10/09/82/953100982.db2.gz ZPVYTYDUDGFDOI-LBPRGKRZSA-N -1 3 382.432 0.276 20 0 GCADHM CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571216851 953104674 /nfs/dbraw/zinc/10/46/74/953104674.db2.gz AXEGLPXBZIGJHQ-UHFFFAOYSA-N -1 3 383.368 0.677 20 0 GCADHM CN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571216851 953104676 /nfs/dbraw/zinc/10/46/76/953104676.db2.gz AXEGLPXBZIGJHQ-UHFFFAOYSA-N -1 3 383.368 0.677 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnccn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571216928 953105324 /nfs/dbraw/zinc/10/53/24/953105324.db2.gz CZUKBTSIOWAKFC-GXFFZTMASA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnccn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571216928 953105327 /nfs/dbraw/zinc/10/53/27/953105327.db2.gz CZUKBTSIOWAKFC-GXFFZTMASA-N -1 3 383.391 0.978 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1cccc(F)c1 ZINC001571217278 953106319 /nfs/dbraw/zinc/10/63/19/953106319.db2.gz HTBZJZGLKYHQHU-GOEBONIOSA-N -1 3 383.387 0.770 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1cccc(F)c1 ZINC001571217278 953106323 /nfs/dbraw/zinc/10/63/23/953106323.db2.gz HTBZJZGLKYHQHU-GOEBONIOSA-N -1 3 383.387 0.770 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)ccc1F ZINC001571217886 953112038 /nfs/dbraw/zinc/11/20/38/953112038.db2.gz RGQMGFJLOTXLTJ-HUUCEWRRSA-N -1 3 383.387 0.689 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)ccc1F ZINC001571217886 953112040 /nfs/dbraw/zinc/11/20/40/953112040.db2.gz RGQMGFJLOTXLTJ-HUUCEWRRSA-N -1 3 383.387 0.689 20 0 GCADHM O=C(Cc1ccccc1F)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571218317 953113631 /nfs/dbraw/zinc/11/36/31/953113631.db2.gz VZLXEVNPTJWBMZ-CYBMUJFWSA-N -1 3 383.387 0.907 20 0 GCADHM O=C(Cc1ccccc1F)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571218317 953113634 /nfs/dbraw/zinc/11/36/34/953113634.db2.gz VZLXEVNPTJWBMZ-CYBMUJFWSA-N -1 3 383.387 0.907 20 0 GCADHM Cn1c(=O)cccc1C(=O)NC1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001571218275 953113667 /nfs/dbraw/zinc/11/36/67/953113667.db2.gz UZUJGZLWOIRLMT-UHFFFAOYSA-N -1 3 383.387 0.319 20 0 GCADHM Cn1c(=O)cccc1C(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571218275 953113669 /nfs/dbraw/zinc/11/36/69/953113669.db2.gz UZUJGZLWOIRLMT-UHFFFAOYSA-N -1 3 383.387 0.319 20 0 GCADHM O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571218311 953114337 /nfs/dbraw/zinc/11/43/37/953114337.db2.gz VXEVHZMVJBPIJE-UHFFFAOYSA-N -1 3 383.376 0.127 20 0 GCADHM O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571218311 953114347 /nfs/dbraw/zinc/11/43/47/953114347.db2.gz VXEVHZMVJBPIJE-UHFFFAOYSA-N -1 3 383.376 0.127 20 0 GCADHM O=C(CC(F)(F)F)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571218478 953115165 /nfs/dbraw/zinc/11/51/65/953115165.db2.gz OYGGSBFKIFBCHM-GZMMTYOYSA-N -1 3 383.334 0.820 20 0 GCADHM O=C(CC(F)(F)F)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571218478 953115168 /nfs/dbraw/zinc/11/51/68/953115168.db2.gz OYGGSBFKIFBCHM-GZMMTYOYSA-N -1 3 383.334 0.820 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ccncn1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571219159 953123208 /nfs/dbraw/zinc/12/32/08/953123208.db2.gz KSCPUVSSOONMJY-LBPRGKRZSA-N -1 3 383.391 0.932 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ccncn1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571219159 953123212 /nfs/dbraw/zinc/12/32/12/953123212.db2.gz KSCPUVSSOONMJY-LBPRGKRZSA-N -1 3 383.391 0.932 20 0 GCADHM O=C(CCc1ncccn1)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571219275 953123999 /nfs/dbraw/zinc/12/39/99/953123999.db2.gz NIASFHZIUHJSNT-UHFFFAOYSA-N -1 3 383.391 0.472 20 0 GCADHM O=C(CCc1ncccn1)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571219275 953124001 /nfs/dbraw/zinc/12/40/01/953124001.db2.gz NIASFHZIUHJSNT-UHFFFAOYSA-N -1 3 383.391 0.472 20 0 GCADHM Cn1cncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1F ZINC001571219540 953125777 /nfs/dbraw/zinc/12/57/77/953125777.db2.gz PUGPZVZXPNEBPM-RTXFEEFZSA-N -1 3 383.391 0.674 20 0 GCADHM Cn1cncc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1F ZINC001571219540 953125780 /nfs/dbraw/zinc/12/57/80/953125780.db2.gz PUGPZVZXPNEBPM-RTXFEEFZSA-N -1 3 383.391 0.674 20 0 GCADHM COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)cc1-c1nnn[n-]1 ZINC001571219727 953127006 /nfs/dbraw/zinc/12/70/06/953127006.db2.gz RBSRTVVBKAMYGZ-HUUCEWRRSA-N -1 3 383.412 0.179 20 0 GCADHM COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3cc[nH]c3)C2)cc1-c1nn[n-]n1 ZINC001571219727 953127008 /nfs/dbraw/zinc/12/70/08/953127008.db2.gz RBSRTVVBKAMYGZ-HUUCEWRRSA-N -1 3 383.412 0.179 20 0 GCADHM COC(=O)c1occc1CNS(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001571219951 953128604 /nfs/dbraw/zinc/12/86/04/953128604.db2.gz UTAYFPSOXUGIHN-UHFFFAOYSA-N -1 3 383.411 0.927 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222084 953130513 /nfs/dbraw/zinc/13/05/13/953130513.db2.gz BSRUEHPKXCZPLM-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222084 953130515 /nfs/dbraw/zinc/13/05/15/953130515.db2.gz BSRUEHPKXCZPLM-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571222139 953131669 /nfs/dbraw/zinc/13/16/69/953131669.db2.gz CZCLGVZOHVPRJD-GHMZBOCLSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571222139 953131670 /nfs/dbraw/zinc/13/16/70/953131670.db2.gz CZCLGVZOHVPRJD-GHMZBOCLSA-N -1 3 383.416 0.270 20 0 GCADHM CCc1cc(C(=O)NC2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)[nH]n1 ZINC001571222152 953131687 /nfs/dbraw/zinc/13/16/87/953131687.db2.gz DERKDHAFFSMLPE-UHFFFAOYSA-N -1 3 383.416 0.419 20 0 GCADHM CCc1cc(C(=O)NC2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]n1 ZINC001571222152 953131688 /nfs/dbraw/zinc/13/16/88/953131688.db2.gz DERKDHAFFSMLPE-UHFFFAOYSA-N -1 3 383.416 0.419 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)[nH]n1 ZINC001571222324 953133464 /nfs/dbraw/zinc/13/34/64/953133464.db2.gz GJIDKFRYPYGOTR-BXKDBHETSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]n1 ZINC001571222324 953133466 /nfs/dbraw/zinc/13/34/66/953133466.db2.gz GJIDKFRYPYGOTR-BXKDBHETSA-N -1 3 383.416 0.513 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222378 953133919 /nfs/dbraw/zinc/13/39/19/953133919.db2.gz HHDUFJZOMHQKMW-ZYHUDNBSSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222378 953133924 /nfs/dbraw/zinc/13/39/24/953133924.db2.gz HHDUFJZOMHQKMW-ZYHUDNBSSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)Cn1ccnc1 ZINC001571222382 953134203 /nfs/dbraw/zinc/13/42/03/953134203.db2.gz HMQHPLLZNZDEIE-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)Cn1ccnc1 ZINC001571222382 953134206 /nfs/dbraw/zinc/13/42/06/953134206.db2.gz HMQHPLLZNZDEIE-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)n1 ZINC001571222359 953134318 /nfs/dbraw/zinc/13/43/18/953134318.db2.gz FBOZQOOCWBUSBE-PWSUYJOCSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)n1 ZINC001571222359 953134319 /nfs/dbraw/zinc/13/43/19/953134319.db2.gz FBOZQOOCWBUSBE-PWSUYJOCSA-N -1 3 383.416 0.649 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H]2C)cn1 ZINC001571222493 953134845 /nfs/dbraw/zinc/13/48/45/953134845.db2.gz GTHXRYSOZZOBFN-PWSUYJOCSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H]2C)cn1 ZINC001571222493 953134846 /nfs/dbraw/zinc/13/48/46/953134846.db2.gz GTHXRYSOZZOBFN-PWSUYJOCSA-N -1 3 383.416 0.444 20 0 GCADHM COc1nc(C)cc(N2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571222479 953135164 /nfs/dbraw/zinc/13/51/64/953135164.db2.gz GJMGIPARPUZBDA-LLVKDONJSA-N -1 3 383.416 0.558 20 0 GCADHM COc1nc(C)cc(N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571222479 953135167 /nfs/dbraw/zinc/13/51/67/953135167.db2.gz GJMGIPARPUZBDA-LLVKDONJSA-N -1 3 383.416 0.558 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571222552 953135495 /nfs/dbraw/zinc/13/54/95/953135495.db2.gz IWBQDUJIFCGJBQ-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571222552 953135499 /nfs/dbraw/zinc/13/54/99/953135499.db2.gz IWBQDUJIFCGJBQ-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM Cc1ccoc1CC(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571222524 953136175 /nfs/dbraw/zinc/13/61/75/953136175.db2.gz IHDAZCGZKIELMV-NSHDSACASA-N -1 3 383.412 0.916 20 0 GCADHM Cc1ccoc1CC(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571222524 953136178 /nfs/dbraw/zinc/13/61/78/953136178.db2.gz IHDAZCGZKIELMV-NSHDSACASA-N -1 3 383.412 0.916 20 0 GCADHM CCn1nccc1C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222679 953137587 /nfs/dbraw/zinc/13/75/87/953137587.db2.gz IVIFBPZUBZZBKD-UHFFFAOYSA-N -1 3 383.416 0.350 20 0 GCADHM CCn1nccc1C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222679 953137594 /nfs/dbraw/zinc/13/75/94/953137594.db2.gz IVIFBPZUBZZBKD-UHFFFAOYSA-N -1 3 383.416 0.350 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)n1 ZINC001571222668 953137755 /nfs/dbraw/zinc/13/77/55/953137755.db2.gz ILIMUGMCESIVTA-NSHDSACASA-N -1 3 383.416 0.364 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)n1 ZINC001571222668 953137758 /nfs/dbraw/zinc/13/77/58/953137758.db2.gz ILIMUGMCESIVTA-NSHDSACASA-N -1 3 383.416 0.364 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001571222817 953138243 /nfs/dbraw/zinc/13/82/43/953138243.db2.gz LNLUYGMGYBMSAH-RISCZKNCSA-N -1 3 383.416 0.337 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001571222817 953138245 /nfs/dbraw/zinc/13/82/45/953138245.db2.gz LNLUYGMGYBMSAH-RISCZKNCSA-N -1 3 383.416 0.337 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001571222780 953138398 /nfs/dbraw/zinc/13/83/98/953138398.db2.gz KZFDOFXMFBGQKO-ZANVPECISA-N -1 3 383.416 0.513 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001571222780 953138399 /nfs/dbraw/zinc/13/83/99/953138399.db2.gz KZFDOFXMFBGQKO-ZANVPECISA-N -1 3 383.416 0.513 20 0 GCADHM CCn1nc(C)cc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571222835 953139878 /nfs/dbraw/zinc/13/98/78/953139878.db2.gz MXGUWXOHZTVDDJ-LLVKDONJSA-N -1 3 383.416 0.364 20 0 GCADHM CCn1nc(C)cc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571222835 953139880 /nfs/dbraw/zinc/13/98/80/953139880.db2.gz MXGUWXOHZTVDDJ-LLVKDONJSA-N -1 3 383.416 0.364 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)nn1C ZINC001571222853 953140024 /nfs/dbraw/zinc/14/00/24/953140024.db2.gz NBGVPONYCLJHEV-NSHDSACASA-N -1 3 383.416 0.403 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)nn1C ZINC001571222853 953140026 /nfs/dbraw/zinc/14/00/26/953140026.db2.gz NBGVPONYCLJHEV-NSHDSACASA-N -1 3 383.416 0.403 20 0 GCADHM COc1cncc(CN2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571222979 953140696 /nfs/dbraw/zinc/14/06/96/953140696.db2.gz OLLZKBWMPLUYHA-JTQLQIEISA-N -1 3 383.416 0.244 20 0 GCADHM COc1cncc(CN2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571222979 953140699 /nfs/dbraw/zinc/14/06/99/953140699.db2.gz OLLZKBWMPLUYHA-JTQLQIEISA-N -1 3 383.416 0.244 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001571222989 953140888 /nfs/dbraw/zinc/14/08/88/953140888.db2.gz ORVCPKUJIOPYOX-NSHDSACASA-N -1 3 383.416 0.597 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001571222989 953140890 /nfs/dbraw/zinc/14/08/90/953140890.db2.gz ORVCPKUJIOPYOX-NSHDSACASA-N -1 3 383.416 0.597 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)[nH]n1 ZINC001571223130 953141189 /nfs/dbraw/zinc/14/11/89/953141189.db2.gz OAIZHTYTVUJQOH-BXKDBHETSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)[nH]n1 ZINC001571223130 953141190 /nfs/dbraw/zinc/14/11/90/953141190.db2.gz OAIZHTYTVUJQOH-BXKDBHETSA-N -1 3 383.416 0.513 20 0 GCADHM COCCn1cc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571223232 953142224 /nfs/dbraw/zinc/14/22/24/953142224.db2.gz QWUBDADQWBITBH-CYBMUJFWSA-N -1 3 383.416 0.113 20 0 GCADHM COCCn1cc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571223232 953142226 /nfs/dbraw/zinc/14/22/26/953142226.db2.gz QWUBDADQWBITBH-CYBMUJFWSA-N -1 3 383.416 0.113 20 0 GCADHM CCn1ccnc1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571223226 953142231 /nfs/dbraw/zinc/14/22/31/953142231.db2.gz QTIIAPFNOZTQNF-GFCCVEGCSA-N -1 3 383.416 0.398 20 0 GCADHM CCn1ccnc1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571223226 953142237 /nfs/dbraw/zinc/14/22/37/953142237.db2.gz QTIIAPFNOZTQNF-GFCCVEGCSA-N -1 3 383.416 0.398 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571223179 953142443 /nfs/dbraw/zinc/14/24/43/953142443.db2.gz PFKITUVJJSPMGS-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223179 953142445 /nfs/dbraw/zinc/14/24/45/953142445.db2.gz PFKITUVJJSPMGS-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@]12CN(Cc3cnon3)C[C@@]1(C)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001571223220 953142500 /nfs/dbraw/zinc/14/25/00/953142500.db2.gz QLRLEVAKLXCCJN-CALCHBBNSA-N -1 3 383.416 0.562 20 0 GCADHM C[C@]12CN(Cc3cnon3)C[C@@]1(C)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571223220 953142503 /nfs/dbraw/zinc/14/25/03/953142503.db2.gz QLRLEVAKLXCCJN-CALCHBBNSA-N -1 3 383.416 0.562 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001571223249 953142985 /nfs/dbraw/zinc/14/29/85/953142985.db2.gz RSFDOPYKXMKYCY-CYBMUJFWSA-N -1 3 383.416 0.008 20 0 GCADHM COc1cc(C(=O)N2CC[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)nn1C ZINC001571223280 953143532 /nfs/dbraw/zinc/14/35/32/953143532.db2.gz SERFFNMMAXHMAR-NSHDSACASA-N -1 3 383.416 0.639 20 0 GCADHM COc1cc(C(=O)N2CC[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)nn1C ZINC001571223280 953143539 /nfs/dbraw/zinc/14/35/39/953143539.db2.gz SERFFNMMAXHMAR-NSHDSACASA-N -1 3 383.416 0.639 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571223566 953145319 /nfs/dbraw/zinc/14/53/19/953145319.db2.gz VPZHXFLVKYZBSH-NSHDSACASA-N -1 3 383.416 0.303 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571223566 953145321 /nfs/dbraw/zinc/14/53/21/953145321.db2.gz VPZHXFLVKYZBSH-NSHDSACASA-N -1 3 383.416 0.303 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571223596 953146091 /nfs/dbraw/zinc/14/60/91/953146091.db2.gz WTVZTFUWJKZNOC-KOLCDFICSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571223596 953146097 /nfs/dbraw/zinc/14/60/97/953146097.db2.gz WTVZTFUWJKZNOC-KOLCDFICSA-N -1 3 383.416 0.649 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)[nH]n1 ZINC001571223693 953146383 /nfs/dbraw/zinc/14/63/83/953146383.db2.gz SQXWRPOEAVPABX-LBPRGKRZSA-N -1 3 383.416 0.782 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)[nH]n1 ZINC001571223693 953146387 /nfs/dbraw/zinc/14/63/87/953146387.db2.gz SQXWRPOEAVPABX-LBPRGKRZSA-N -1 3 383.416 0.782 20 0 GCADHM CCn1ccc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)n1 ZINC001571223592 953146543 /nfs/dbraw/zinc/14/65/43/953146543.db2.gz WRWIXZZPKKWHSR-WDEREUQCSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1ccc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)n1 ZINC001571223592 953146544 /nfs/dbraw/zinc/14/65/44/953146544.db2.gz WRWIXZZPKKWHSR-WDEREUQCSA-N -1 3 383.416 0.444 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223802 953147022 /nfs/dbraw/zinc/14/70/22/953147022.db2.gz VRMVQJWNHJQVKR-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223802 953147025 /nfs/dbraw/zinc/14/70/25/953147025.db2.gz VRMVQJWNHJQVKR-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM CCc1cc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)[nH]n1 ZINC001571223787 953147235 /nfs/dbraw/zinc/14/72/35/953147235.db2.gz VMQWGHXVYJVYRN-CYBMUJFWSA-N -1 3 383.416 0.182 20 0 GCADHM CCc1cc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)[nH]n1 ZINC001571223787 953147236 /nfs/dbraw/zinc/14/72/36/953147236.db2.gz VMQWGHXVYJVYRN-CYBMUJFWSA-N -1 3 383.416 0.182 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571223897 953147924 /nfs/dbraw/zinc/14/79/24/953147924.db2.gz ZMSPTYUDOKFHAR-MNOVXSKESA-N -1 3 383.416 0.555 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571223897 953147925 /nfs/dbraw/zinc/14/79/25/953147925.db2.gz ZMSPTYUDOKFHAR-MNOVXSKESA-N -1 3 383.416 0.555 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571224033 953148263 /nfs/dbraw/zinc/14/82/63/953148263.db2.gz XJQGPKKISIFEEX-CMPLNLGQSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571224033 953148267 /nfs/dbraw/zinc/14/82/67/953148267.db2.gz XJQGPKKISIFEEX-CMPLNLGQSA-N -1 3 383.416 0.664 20 0 GCADHM CC[C@H](O)Cn1cc(C(=O)N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571223996 953148600 /nfs/dbraw/zinc/14/86/00/953148600.db2.gz WWFYUODBMXSNRU-AWEZNQCLSA-N -1 3 383.416 0.166 20 0 GCADHM CC[C@H](O)Cn1cc(C(=O)N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571223996 953148604 /nfs/dbraw/zinc/14/86/04/953148604.db2.gz WWFYUODBMXSNRU-AWEZNQCLSA-N -1 3 383.416 0.166 20 0 GCADHM Cc1ccc(N[C@@H](C)[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)nn1 ZINC001571224677 953150819 /nfs/dbraw/zinc/15/08/19/953150819.db2.gz CPEUWVYZLHBQOD-SMDDNHRTSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1ccc(N[C@@H](C)[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)nn1 ZINC001571224677 953150821 /nfs/dbraw/zinc/15/08/21/953150821.db2.gz CPEUWVYZLHBQOD-SMDDNHRTSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1C ZINC001571224882 953151315 /nfs/dbraw/zinc/15/13/15/953151315.db2.gz FVTRWPPSJRMHNU-NSHDSACASA-N -1 3 383.416 0.271 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1C ZINC001571224882 953151317 /nfs/dbraw/zinc/15/13/17/953151317.db2.gz FVTRWPPSJRMHNU-NSHDSACASA-N -1 3 383.416 0.271 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)c[nH]1 ZINC001571224892 953151367 /nfs/dbraw/zinc/15/13/67/953151367.db2.gz FYKONFWKLWPPLR-ZUZCIYMTSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)c[nH]1 ZINC001571224892 953151368 /nfs/dbraw/zinc/15/13/68/953151368.db2.gz FYKONFWKLWPPLR-ZUZCIYMTSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571224771 953151542 /nfs/dbraw/zinc/15/15/42/953151542.db2.gz FSQFZYCBRBUBDO-QGZVFWFLSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1nccc(N[C@@H](C)[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)n1 ZINC001571225624 953153471 /nfs/dbraw/zinc/15/34/71/953153471.db2.gz LTOJKPBQUUYZAW-IINYFYTJSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nccc(N[C@@H](C)[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)n1 ZINC001571225624 953153473 /nfs/dbraw/zinc/15/34/73/953153473.db2.gz LTOJKPBQUUYZAW-IINYFYTJSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571225642 953153933 /nfs/dbraw/zinc/15/39/33/953153933.db2.gz LZGMMNKXGOWGBR-GFCCVEGCSA-N -1 3 383.416 0.190 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571225642 953153935 /nfs/dbraw/zinc/15/39/35/953153935.db2.gz LZGMMNKXGOWGBR-GFCCVEGCSA-N -1 3 383.416 0.190 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571225929 953154709 /nfs/dbraw/zinc/15/47/09/953154709.db2.gz OLXWEWWJFQYUFX-KLPPZKSPSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571225929 953154711 /nfs/dbraw/zinc/15/47/11/953154711.db2.gz OLXWEWWJFQYUFX-KLPPZKSPSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1c[nH]c(C(=O)N[C@H]2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571226407 953155483 /nfs/dbraw/zinc/15/54/83/953155483.db2.gz QASOAIJCCSFHPF-JQWIXIFHSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)[C@H](C)C2)o1 ZINC001571226597 953156024 /nfs/dbraw/zinc/15/60/24/953156024.db2.gz SFKDFCRBJNQRPP-ZWNOBZJWSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)[C@H](C)C2)o1 ZINC001571226597 953156026 /nfs/dbraw/zinc/15/60/26/953156026.db2.gz SFKDFCRBJNQRPP-ZWNOBZJWSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1cn(C)nc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001571226621 953156035 /nfs/dbraw/zinc/15/60/35/953156035.db2.gz SZKUYRYVNVHNCX-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cn(C)nc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001571226621 953156037 /nfs/dbraw/zinc/15/60/37/953156037.db2.gz SZKUYRYVNVHNCX-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC2CC(NC(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571226653 953156734 /nfs/dbraw/zinc/15/67/34/953156734.db2.gz UVLPGVHCTDHYQN-UHFFFAOYSA-N -1 3 383.416 0.630 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC2CC(NC(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571226653 953156740 /nfs/dbraw/zinc/15/67/40/953156740.db2.gz UVLPGVHCTDHYQN-UHFFFAOYSA-N -1 3 383.416 0.630 20 0 GCADHM Cc1nc(N2CC[C@H](CNC(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nnn[n-]1 ZINC001571226644 953157008 /nfs/dbraw/zinc/15/70/08/953157008.db2.gz ULLFTNVWIPXZOI-LLVKDONJSA-N -1 3 383.416 0.266 20 0 GCADHM Cc1nc(N2CC[C@H](CNC(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nn[n-]n1 ZINC001571226644 953157010 /nfs/dbraw/zinc/15/70/10/953157010.db2.gz ULLFTNVWIPXZOI-LLVKDONJSA-N -1 3 383.416 0.266 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1C ZINC001571226660 953157023 /nfs/dbraw/zinc/15/70/23/953157023.db2.gz VAFMELGLSXVQQJ-UMSPYCQHSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1C ZINC001571226660 953157025 /nfs/dbraw/zinc/15/70/25/953157025.db2.gz VAFMELGLSXVQQJ-UMSPYCQHSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001571226960 953157719 /nfs/dbraw/zinc/15/77/19/953157719.db2.gz XUTDTCWZUMKGNU-CABZTGNLSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001571226960 953157721 /nfs/dbraw/zinc/15/77/21/953157721.db2.gz XUTDTCWZUMKGNU-CABZTGNLSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571226918 953157779 /nfs/dbraw/zinc/15/77/79/953157779.db2.gz WWVBCCHVHAXIJT-MNOVXSKESA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571226918 953157782 /nfs/dbraw/zinc/15/77/82/953157782.db2.gz WWVBCCHVHAXIJT-MNOVXSKESA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2(C)C)[nH]n1 ZINC001571226984 953157862 /nfs/dbraw/zinc/15/78/62/953157862.db2.gz YGNYSSHDRHZYMP-ZDUSSCGKSA-N -1 3 383.416 0.507 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2(C)C)[nH]n1 ZINC001571226984 953157863 /nfs/dbraw/zinc/15/78/63/953157863.db2.gz YGNYSSHDRHZYMP-ZDUSSCGKSA-N -1 3 383.416 0.507 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)c[nH]1 ZINC001571226989 953158134 /nfs/dbraw/zinc/15/81/34/953158134.db2.gz YJERIPJGHVRJBJ-CABZTGNLSA-N -1 3 383.416 0.649 20 0 GCADHM Cn1ccc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571227708 953158798 /nfs/dbraw/zinc/15/87/98/953158798.db2.gz AIVZHWPDQSTARS-RYUDHWBXSA-N -1 3 383.416 0.399 20 0 GCADHM Cn1ccc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571227708 953158801 /nfs/dbraw/zinc/15/88/01/953158801.db2.gz AIVZHWPDQSTARS-RYUDHWBXSA-N -1 3 383.416 0.399 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)[nH]c1=O ZINC001571227828 953159987 /nfs/dbraw/zinc/15/99/87/953159987.db2.gz CQCLSJGWOJEKFL-LLVKDONJSA-N -1 3 383.416 0.347 20 0 GCADHM O=C(Cc1ncc[nH]1)N1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571227812 953160076 /nfs/dbraw/zinc/16/00/76/953160076.db2.gz CMBREZFTSIWDHH-NSHDSACASA-N -1 3 383.416 0.129 20 0 GCADHM O=C(Cc1ncc[nH]1)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571227812 953160078 /nfs/dbraw/zinc/16/00/78/953160078.db2.gz CMBREZFTSIWDHH-NSHDSACASA-N -1 3 383.416 0.129 20 0 GCADHM O=C(NC[C@H]1C[C@H](NCc2noc(C3CC3)n2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571227882 953160570 /nfs/dbraw/zinc/16/05/70/953160570.db2.gz FDPHLZKJTUYLDX-HOMQSWHASA-N -1 3 383.416 0.753 20 0 GCADHM O=C(NC[C@H]1C[C@H](NCc2noc(C3CC3)n2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571227882 953160572 /nfs/dbraw/zinc/16/05/72/953160572.db2.gz FDPHLZKJTUYLDX-HOMQSWHASA-N -1 3 383.416 0.753 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571228459 953164274 /nfs/dbraw/zinc/16/42/74/953164274.db2.gz PFBWPAJLIZXQPU-NSHDSACASA-N -1 3 383.416 0.211 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571228459 953164276 /nfs/dbraw/zinc/16/42/76/953164276.db2.gz PFBWPAJLIZXQPU-NSHDSACASA-N -1 3 383.416 0.211 20 0 GCADHM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCCN2C(=O)c2nc[nH]n2)n1 ZINC001571228516 953164521 /nfs/dbraw/zinc/16/45/21/953164521.db2.gz QGWUVSISSCGGTD-JTQLQIEISA-N -1 3 383.420 0.078 20 0 GCADHM O=C(Cn1ccnc1)N[C@H]1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571228500 953164688 /nfs/dbraw/zinc/16/46/88/953164688.db2.gz PUHACPABSHUORD-QWHCGFSZSA-N -1 3 383.416 0.249 20 0 GCADHM Cn1nccc1C(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571228851 953167094 /nfs/dbraw/zinc/16/70/94/953167094.db2.gz WSGUIQBPNPJRQY-LLVKDONJSA-N -1 3 383.416 0.353 20 0 GCADHM Cn1nccc1C(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571228851 953167095 /nfs/dbraw/zinc/16/70/95/953167095.db2.gz WSGUIQBPNPJRQY-LLVKDONJSA-N -1 3 383.416 0.353 20 0 GCADHM Cc1nonc1CN1CC[C@]2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCC[C@@H]12 ZINC001571229063 953167522 /nfs/dbraw/zinc/16/75/22/953167522.db2.gz ZERAWLINUIBCDG-RHSMWYFYSA-N -1 3 383.416 0.813 20 0 GCADHM Cc1nonc1CN1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC[C@@H]12 ZINC001571229063 953167524 /nfs/dbraw/zinc/16/75/24/953167524.db2.gz ZERAWLINUIBCDG-RHSMWYFYSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571229068 953167889 /nfs/dbraw/zinc/16/78/89/953167889.db2.gz ZGIFMNHRJSOLRY-GHMZBOCLSA-N -1 3 383.420 0.057 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571229545 953170722 /nfs/dbraw/zinc/17/07/22/953170722.db2.gz IFKOIEVFQPXITC-MWLCHTKSSA-N -1 3 383.420 0.497 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001571230025 953173781 /nfs/dbraw/zinc/17/37/81/953173781.db2.gz RACQWWMSLNFHCV-GHMZBOCLSA-N -1 3 383.420 0.023 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001571230028 953173928 /nfs/dbraw/zinc/17/39/28/953173928.db2.gz RACQWWMSLNFHCV-WDEREUQCSA-N -1 3 383.420 0.023 20 0 GCADHM C[C@@]1(C(=O)N2CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)CCC(=O)NC1 ZINC001571230207 953174209 /nfs/dbraw/zinc/17/42/09/953174209.db2.gz AHMDUBYKWWFZMC-LJQANCHMSA-N -1 3 383.456 0.427 20 0 GCADHM C[C@@]1(C(=O)N2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)CCC(=O)NC1 ZINC001571230207 953174211 /nfs/dbraw/zinc/17/42/11/953174211.db2.gz AHMDUBYKWWFZMC-LJQANCHMSA-N -1 3 383.456 0.427 20 0 GCADHM O=C(c1csnn1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571230402 953176821 /nfs/dbraw/zinc/17/68/21/953176821.db2.gz COQGAIPUTDBPOG-KBPBESRZSA-N -1 3 383.441 0.997 20 0 GCADHM O=C(c1csnn1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571230402 953176824 /nfs/dbraw/zinc/17/68/24/953176824.db2.gz COQGAIPUTDBPOG-KBPBESRZSA-N -1 3 383.441 0.997 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3[C@@H](CNC(=O)c4cnns4)[C@@H]3C2)n1 ZINC001571230478 953177353 /nfs/dbraw/zinc/17/73/53/953177353.db2.gz FBGNZDBLTCYMAQ-CNDDSTCGSA-N -1 3 383.441 0.534 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3[C@@H](CNC(=O)c4cnns4)[C@@H]3C2)n1 ZINC001571230478 953177356 /nfs/dbraw/zinc/17/73/56/953177356.db2.gz FBGNZDBLTCYMAQ-CNDDSTCGSA-N -1 3 383.441 0.534 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@@]3(C)C2)CCOC1 ZINC001571231429 953183861 /nfs/dbraw/zinc/18/38/61/953183861.db2.gz WNXDGHBFVAUPHV-ZNOIYHFQSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@@]3(C)C2)CCOC1 ZINC001571231429 953183863 /nfs/dbraw/zinc/18/38/63/953183863.db2.gz WNXDGHBFVAUPHV-ZNOIYHFQSA-N -1 3 383.456 0.973 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC34CC4)C2)n1 ZINC001571232107 953185458 /nfs/dbraw/zinc/18/54/58/953185458.db2.gz BFFVYXDWCFTWBO-RBSFLKMASA-N -1 3 383.456 0.816 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC34CC4)C2)n1 ZINC001571232107 953185459 /nfs/dbraw/zinc/18/54/59/953185459.db2.gz BFFVYXDWCFTWBO-RBSFLKMASA-N -1 3 383.456 0.816 20 0 GCADHM C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571232526 953187952 /nfs/dbraw/zinc/18/79/52/953187952.db2.gz HLGWMTZIMWJIHP-MQYQWHSLSA-N -1 3 383.460 0.224 20 0 GCADHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC2CCOCC2)ccc1-c1nnn[n-]1 ZINC001571232742 953189093 /nfs/dbraw/zinc/18/90/93/953189093.db2.gz KJXUMVCGWREDJH-HWWDLCQESA-N -1 3 383.456 0.938 20 0 GCADHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC2CCOCC2)ccc1-c1nn[n-]n1 ZINC001571232742 953189095 /nfs/dbraw/zinc/18/90/95/953189095.db2.gz KJXUMVCGWREDJH-HWWDLCQESA-N -1 3 383.456 0.938 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001571233344 953191311 /nfs/dbraw/zinc/19/13/11/953191311.db2.gz SHZXNVASYXMNAF-CTASWTNQSA-N -1 3 383.456 0.794 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001571233344 953191314 /nfs/dbraw/zinc/19/13/14/953191314.db2.gz SHZXNVASYXMNAF-CTASWTNQSA-N -1 3 383.456 0.794 20 0 GCADHM Cn1ccnc1CN1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001571233788 953195758 /nfs/dbraw/zinc/19/57/58/953195758.db2.gz DDNMNQKIYMKEPV-AWEZNQCLSA-N -1 3 383.460 0.959 20 0 GCADHM Cn1ccnc1CN1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001571233788 953195759 /nfs/dbraw/zinc/19/57/59/953195759.db2.gz DDNMNQKIYMKEPV-AWEZNQCLSA-N -1 3 383.460 0.959 20 0 GCADHM Cn1ccc(CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C(C)(C)C2)n1 ZINC001571234006 953198396 /nfs/dbraw/zinc/19/83/96/953198396.db2.gz KJFXNXBSZHYUPT-HNNXBMFYSA-N -1 3 383.460 0.959 20 0 GCADHM Cn1ccc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C(C)(C)C2)n1 ZINC001571234006 953198397 /nfs/dbraw/zinc/19/83/97/953198397.db2.gz KJFXNXBSZHYUPT-HNNXBMFYSA-N -1 3 383.460 0.959 20 0 GCADHM O=C(CN1CCCC1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571234197 953199524 /nfs/dbraw/zinc/19/95/24/953199524.db2.gz PKOSVPXRIMHTRV-KBXCAEBGSA-N -1 3 383.460 0.370 20 0 GCADHM O=C1OCC[C@]12CCN(S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC001571234733 953205123 /nfs/dbraw/zinc/20/51/23/953205123.db2.gz HEWKOKFVVJJISN-AWEZNQCLSA-N -1 3 383.817 0.848 20 0 GCADHM C[C@@H](NC(=O)c1ccc(F)cn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571234798 953205291 /nfs/dbraw/zinc/20/52/91/953205291.db2.gz IZUNIVVBJHGKIS-SECBINFHSA-N -1 3 384.375 0.619 20 0 GCADHM C[C@@H](NC(=O)c1ccc(F)cn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571234798 953205292 /nfs/dbraw/zinc/20/52/92/953205292.db2.gz IZUNIVVBJHGKIS-SECBINFHSA-N -1 3 384.375 0.619 20 0 GCADHM C[C@]1(NC(=O)c2cnc[nH]c2=O)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571234963 953206818 /nfs/dbraw/zinc/20/68/18/953206818.db2.gz OERGWEJSPZDIOO-KRWDZBQOSA-N -1 3 384.375 0.900 20 0 GCADHM O=C(Cc1ccc(F)cn1)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235349 953211568 /nfs/dbraw/zinc/21/15/68/953211568.db2.gz AUZASMMHJDBZHQ-TXEJJXNPSA-N -1 3 384.375 0.349 20 0 GCADHM O=C(Cc1ccc(F)cn1)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235349 953211570 /nfs/dbraw/zinc/21/15/70/953211570.db2.gz AUZASMMHJDBZHQ-TXEJJXNPSA-N -1 3 384.375 0.349 20 0 GCADHM CC(C)c1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)no1 ZINC001571235478 953212990 /nfs/dbraw/zinc/21/29/90/953212990.db2.gz GEUUBIXYGWETOC-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)no1 ZINC001571235478 953212993 /nfs/dbraw/zinc/21/29/93/953212993.db2.gz GEUUBIXYGWETOC-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571235601 953213531 /nfs/dbraw/zinc/21/35/31/953213531.db2.gz KOARNRYNZWDKKF-LLVKDONJSA-N -1 3 384.400 0.780 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571235601 953213534 /nfs/dbraw/zinc/21/35/34/953213534.db2.gz KOARNRYNZWDKKF-LLVKDONJSA-N -1 3 384.400 0.780 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1cocn1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571235547 953213537 /nfs/dbraw/zinc/21/35/37/953213537.db2.gz HVBMREKGYFIASB-GFCCVEGCSA-N -1 3 384.400 0.950 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1cocn1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571235547 953213539 /nfs/dbraw/zinc/21/35/39/953213539.db2.gz HVBMREKGYFIASB-GFCCVEGCSA-N -1 3 384.400 0.950 20 0 GCADHM CCOc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)on1 ZINC001571235567 953213557 /nfs/dbraw/zinc/21/35/57/953213557.db2.gz IXVLQCJIVVFZRQ-LLVKDONJSA-N -1 3 384.400 0.966 20 0 GCADHM CCOc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)on1 ZINC001571235567 953213559 /nfs/dbraw/zinc/21/35/59/953213559.db2.gz IXVLQCJIVVFZRQ-LLVKDONJSA-N -1 3 384.400 0.966 20 0 GCADHM C[C@@]1(NC(=O)c2nccnc2N)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571235677 953214539 /nfs/dbraw/zinc/21/45/39/953214539.db2.gz NBPZVGWIUJIPFE-MRXNPFEDSA-N -1 3 384.379 0.172 20 0 GCADHM C[C@@]1(NC(=O)c2nccnc2N)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571235677 953214543 /nfs/dbraw/zinc/21/45/43/953214543.db2.gz NBPZVGWIUJIPFE-MRXNPFEDSA-N -1 3 384.379 0.172 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccc(F)cn1 ZINC001571235699 953215179 /nfs/dbraw/zinc/21/51/79/953215179.db2.gz NXOSMOFHCMVAOK-SNVBAGLBSA-N -1 3 384.375 0.621 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccc(F)cn1 ZINC001571235699 953215181 /nfs/dbraw/zinc/21/51/81/953215181.db2.gz NXOSMOFHCMVAOK-SNVBAGLBSA-N -1 3 384.375 0.621 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)Cc1cnoc1 ZINC001571235905 953215577 /nfs/dbraw/zinc/21/55/77/953215577.db2.gz QYMJSLRGFZUMIO-CYBMUJFWSA-N -1 3 384.400 0.392 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)Cc1cnoc1 ZINC001571235905 953215581 /nfs/dbraw/zinc/21/55/81/953215581.db2.gz QYMJSLRGFZUMIO-CYBMUJFWSA-N -1 3 384.400 0.392 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1ccncc1F ZINC001571235900 953215757 /nfs/dbraw/zinc/21/57/57/953215757.db2.gz QWPKKCQZJMXEFH-KGLIPLIRSA-N -1 3 384.375 0.165 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1ccncc1F ZINC001571235900 953215760 /nfs/dbraw/zinc/21/57/60/953215760.db2.gz QWPKKCQZJMXEFH-KGLIPLIRSA-N -1 3 384.375 0.165 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC001571235893 953215896 /nfs/dbraw/zinc/21/58/96/953215896.db2.gz QUVWCCRFCXLTEG-MNOVXSKESA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC001571235893 953215899 /nfs/dbraw/zinc/21/58/99/953215899.db2.gz QUVWCCRFCXLTEG-MNOVXSKESA-N -1 3 384.400 0.854 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cn1 ZINC001571235909 953216015 /nfs/dbraw/zinc/21/60/15/953216015.db2.gz RBZLRGDQLXOSAC-ZDUSSCGKSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cn1 ZINC001571235909 953216017 /nfs/dbraw/zinc/21/60/17/953216017.db2.gz RBZLRGDQLXOSAC-ZDUSSCGKSA-N -1 3 384.375 0.431 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)c1 ZINC001571236176 953216442 /nfs/dbraw/zinc/21/64/42/953216442.db2.gz UALRXKQJJQCWNF-MGCOHNPYSA-N -1 3 384.375 0.806 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)c1 ZINC001571236176 953216444 /nfs/dbraw/zinc/21/64/44/953216444.db2.gz UALRXKQJJQCWNF-MGCOHNPYSA-N -1 3 384.375 0.806 20 0 GCADHM CCc1ocnc1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571236153 953216852 /nfs/dbraw/zinc/21/68/52/953216852.db2.gz SJHPGBCXWUYAHF-UHFFFAOYSA-N -1 3 384.400 0.780 20 0 GCADHM CCc1ocnc1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571236153 953216854 /nfs/dbraw/zinc/21/68/54/953216854.db2.gz SJHPGBCXWUYAHF-UHFFFAOYSA-N -1 3 384.400 0.780 20 0 GCADHM Cc1noc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1C ZINC001571236721 953219153 /nfs/dbraw/zinc/21/91/53/953219153.db2.gz CDRABCAOZOFKFV-QPUJVOFHSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1noc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1C ZINC001571236721 953219154 /nfs/dbraw/zinc/21/91/54/953219154.db2.gz CDRABCAOZOFKFV-QPUJVOFHSA-N -1 3 384.400 0.833 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571237003 953219716 /nfs/dbraw/zinc/21/97/16/953219716.db2.gz FCDCJVXLKIVYAI-TVQRCGJNSA-N -1 3 384.404 0.126 20 0 GCADHM Cc1oncc1CN1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2 ZINC001571237306 953220599 /nfs/dbraw/zinc/22/05/99/953220599.db2.gz GXESGTXZAFBPEK-GFCCVEGCSA-N -1 3 384.400 0.265 20 0 GCADHM Cc1oncc1CN1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2 ZINC001571237306 953220600 /nfs/dbraw/zinc/22/06/00/953220600.db2.gz GXESGTXZAFBPEK-GFCCVEGCSA-N -1 3 384.400 0.265 20 0 GCADHM Cc1ncoc1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571237210 953220694 /nfs/dbraw/zinc/22/06/94/953220694.db2.gz GIJMOYAPPLXMFY-GFCCVEGCSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1ncoc1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571237210 953220698 /nfs/dbraw/zinc/22/06/98/953220698.db2.gz GIJMOYAPPLXMFY-GFCCVEGCSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1ocnc1C(=O)N1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571237476 953221123 /nfs/dbraw/zinc/22/11/23/953221123.db2.gz IOJOTFJYDLHDQA-UHFFFAOYSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1ocnc1C(=O)N1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571237476 953221129 /nfs/dbraw/zinc/22/11/29/953221129.db2.gz IOJOTFJYDLHDQA-UHFFFAOYSA-N -1 3 384.400 0.868 20 0 GCADHM COc1ccc(NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)cc1-c1nnn[n-]1 ZINC001571237465 953221380 /nfs/dbraw/zinc/22/13/80/953221380.db2.gz IEUITAHHWKLGQM-NSHDSACASA-N -1 3 384.400 0.730 20 0 GCADHM COc1ccc(NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)cc1-c1nn[n-]n1 ZINC001571237465 953221381 /nfs/dbraw/zinc/22/13/81/953221381.db2.gz IEUITAHHWKLGQM-NSHDSACASA-N -1 3 384.400 0.730 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571237666 953221922 /nfs/dbraw/zinc/22/19/22/953221922.db2.gz LBXPSISDDPAKAC-NWDGAFQWSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571237666 953221925 /nfs/dbraw/zinc/22/19/25/953221925.db2.gz LBXPSISDDPAKAC-NWDGAFQWSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1noc(C)c1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571237505 953222037 /nfs/dbraw/zinc/22/20/37/953222037.db2.gz JFZBHGXTYXYDNG-KLPPZKSPSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1noc(C)c1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571237505 953222042 /nfs/dbraw/zinc/22/20/42/953222042.db2.gz JFZBHGXTYXYDNG-KLPPZKSPSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1cnoc1C(=O)NCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571237642 953222172 /nfs/dbraw/zinc/22/21/72/953222172.db2.gz KGRNUVXKOKCMQP-UHFFFAOYSA-N -1 3 384.400 0.773 20 0 GCADHM Cc1cnoc1C(=O)NCC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571237642 953222174 /nfs/dbraw/zinc/22/21/74/953222174.db2.gz KGRNUVXKOKCMQP-UHFFFAOYSA-N -1 3 384.400 0.773 20 0 GCADHM Cc1cc(CN2CC3(C2)C[C@@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)CO3)no1 ZINC001571237525 953222179 /nfs/dbraw/zinc/22/21/79/953222179.db2.gz JUDXZYSZWYXYFL-CYBMUJFWSA-N -1 3 384.400 0.265 20 0 GCADHM Cc1cc(CN2CC3(C2)C[C@@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)CO3)no1 ZINC001571237525 953222180 /nfs/dbraw/zinc/22/21/80/953222180.db2.gz JUDXZYSZWYXYFL-CYBMUJFWSA-N -1 3 384.400 0.265 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C)o1 ZINC001571237651 953222349 /nfs/dbraw/zinc/22/23/49/953222349.db2.gz KTDGFOOPIQFVEI-UMSPYCQHSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C)o1 ZINC001571237651 953222353 /nfs/dbraw/zinc/22/23/53/953222353.db2.gz KTDGFOOPIQFVEI-UMSPYCQHSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1C ZINC001571237885 953223060 /nfs/dbraw/zinc/22/30/60/953223060.db2.gz NBTJLHUNVSHXRQ-PWSUYJOCSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001571237885 953223064 /nfs/dbraw/zinc/22/30/64/953223064.db2.gz NBTJLHUNVSHXRQ-PWSUYJOCSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1conc1C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571237690 953223126 /nfs/dbraw/zinc/22/31/26/953223126.db2.gz LTRXUEQKHFVOLG-QWRGUYRKSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1conc1C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571237690 953223129 /nfs/dbraw/zinc/22/31/29/953223129.db2.gz LTRXUEQKHFVOLG-QWRGUYRKSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1ncc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)o1 ZINC001571237939 953223763 /nfs/dbraw/zinc/22/37/63/953223763.db2.gz OQPBLPUGAAXKPM-RNCFNFMXSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1ncc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)o1 ZINC001571237939 953223766 /nfs/dbraw/zinc/22/37/66/953223766.db2.gz OQPBLPUGAAXKPM-RNCFNFMXSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1nocc1C(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238022 953224631 /nfs/dbraw/zinc/22/46/31/953224631.db2.gz RLGMLOLLQDWBKR-MNOVXSKESA-N -1 3 384.400 0.962 20 0 GCADHM Cc1nocc1C(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238022 953224634 /nfs/dbraw/zinc/22/46/34/953224634.db2.gz RLGMLOLLQDWBKR-MNOVXSKESA-N -1 3 384.400 0.962 20 0 GCADHM Cc1nocc1C(=O)N[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238023 953224650 /nfs/dbraw/zinc/22/46/50/953224650.db2.gz RLGMLOLLQDWBKR-QWRGUYRKSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1nocc1C(=O)N[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238023 953224652 /nfs/dbraw/zinc/22/46/52/953224652.db2.gz RLGMLOLLQDWBKR-QWRGUYRKSA-N -1 3 384.400 0.962 20 0 GCADHM COc1ccc(CN2CC(NC(=O)c3[nH]c(=O)[nH]c3C)C2)cc1-c1nnn[n-]1 ZINC001571238062 953225099 /nfs/dbraw/zinc/22/50/99/953225099.db2.gz SLZZDHUMSDDMCT-UHFFFAOYSA-N -1 3 384.400 0.227 20 0 GCADHM COc1ccc(CN2CC(NC(=O)c3[nH]c(=O)[nH]c3C)C2)cc1-c1nn[n-]n1 ZINC001571238062 953225101 /nfs/dbraw/zinc/22/51/01/953225101.db2.gz SLZZDHUMSDDMCT-UHFFFAOYSA-N -1 3 384.400 0.227 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571238098 953225401 /nfs/dbraw/zinc/22/54/01/953225401.db2.gz UBVAOGNAGKYQBX-QWRGUYRKSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571238098 953225404 /nfs/dbraw/zinc/22/54/04/953225404.db2.gz UBVAOGNAGKYQBX-QWRGUYRKSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571238096 953225593 /nfs/dbraw/zinc/22/55/93/953225593.db2.gz UBVAOGNAGKYQBX-GHMZBOCLSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571238096 953225597 /nfs/dbraw/zinc/22/55/97/953225597.db2.gz UBVAOGNAGKYQBX-GHMZBOCLSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2(C)C)co1 ZINC001571238115 953225670 /nfs/dbraw/zinc/22/56/70/953225670.db2.gz UOEDBKBSUHULMO-CYBMUJFWSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2(C)C)co1 ZINC001571238115 953225673 /nfs/dbraw/zinc/22/56/73/953225673.db2.gz UOEDBKBSUHULMO-CYBMUJFWSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1nc(CN2CC3(C2)CN(C(=O)c2cc(-c4nnn[n-]4)c[nH]2)CCO3)co1 ZINC001571238095 953225765 /nfs/dbraw/zinc/22/57/65/953225765.db2.gz UAOHBIHUCMFZKS-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM Cc1nc(CN2CC3(C2)CN(C(=O)c2cc(-c4nn[n-]n4)c[nH]2)CCO3)co1 ZINC001571238095 953225768 /nfs/dbraw/zinc/22/57/68/953225768.db2.gz UAOHBIHUCMFZKS-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C)o1 ZINC001571238248 953227605 /nfs/dbraw/zinc/22/76/05/953227605.db2.gz XZNIEHPANSKNIQ-PRHODGIISA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C)o1 ZINC001571238248 953227607 /nfs/dbraw/zinc/22/76/07/953227607.db2.gz XZNIEHPANSKNIQ-PRHODGIISA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C(=O)N2CCCO[C@@H](CNc3nccnc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571239135 953236343 /nfs/dbraw/zinc/23/63/43/953236343.db2.gz QZFMHBHQRHBBPC-NSHDSACASA-N -1 3 384.404 0.031 20 0 GCADHM C[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1NC(=O)c1cn(C)cn1 ZINC001571239398 953238953 /nfs/dbraw/zinc/23/89/53/953238953.db2.gz KFLZBQJUZSTMAC-IAQYHMDHSA-N -1 3 384.419 0.990 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@@H](C)C2)C1 ZINC001571241471 953246302 /nfs/dbraw/zinc/24/63/02/953246302.db2.gz AGQGYNMPHMIGIG-NHYWBVRUSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@@H](C)C2)C1 ZINC001571241471 953246305 /nfs/dbraw/zinc/24/63/05/953246305.db2.gz AGQGYNMPHMIGIG-NHYWBVRUSA-N -1 3 384.444 0.389 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@@H]2CCN(C(=O)c3ccns3)[C@@H]2C1 ZINC001571241702 953249010 /nfs/dbraw/zinc/24/90/10/953249010.db2.gz JFJLYHSEXRUHRT-JOYOIKCWSA-N -1 3 384.425 0.638 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@@H]2CCN(C(=O)c3ccns3)[C@@H]2C1 ZINC001571241702 953249012 /nfs/dbraw/zinc/24/90/12/953249012.db2.gz JFJLYHSEXRUHRT-JOYOIKCWSA-N -1 3 384.425 0.638 20 0 GCADHM O=C(c1ccns1)N1CC2(C1)CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001571241781 953249993 /nfs/dbraw/zinc/24/99/93/953249993.db2.gz LIFWLTCWFGXNMO-UHFFFAOYSA-N -1 3 384.425 0.640 20 0 GCADHM O=C(c1ccns1)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571241781 953249998 /nfs/dbraw/zinc/24/99/98/953249998.db2.gz LIFWLTCWFGXNMO-UHFFFAOYSA-N -1 3 384.425 0.640 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242037 953251884 /nfs/dbraw/zinc/25/18/84/953251884.db2.gz TZUVFQNRHHTDLH-DGCLKSJQSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242037 953251887 /nfs/dbraw/zinc/25/18/87/953251887.db2.gz TZUVFQNRHHTDLH-DGCLKSJQSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)[C@@H](C)C2)C1 ZINC001571242031 953252356 /nfs/dbraw/zinc/25/23/56/953252356.db2.gz TUUIRVHFTUQLSY-BONVTDFDSA-N -1 3 384.444 0.307 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)[C@@H](C)C2)C1 ZINC001571242031 953252359 /nfs/dbraw/zinc/25/23/59/953252359.db2.gz TUUIRVHFTUQLSY-BONVTDFDSA-N -1 3 384.444 0.307 20 0 GCADHM CC1(C)CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571242082 953253159 /nfs/dbraw/zinc/25/31/59/953253159.db2.gz AVXLMQRTOLVGDQ-YPMHNXCESA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571242082 953253162 /nfs/dbraw/zinc/25/31/62/953253162.db2.gz AVXLMQRTOLVGDQ-YPMHNXCESA-N -1 3 384.444 0.437 20 0 GCADHM O=C(c1nccs1)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571242160 953253722 /nfs/dbraw/zinc/25/37/22/953253722.db2.gz WBMOFMGQWKRAFF-UHFFFAOYSA-N -1 3 384.425 0.640 20 0 GCADHM O=C(c1nccs1)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571242160 953253724 /nfs/dbraw/zinc/25/37/24/953253724.db2.gz WBMOFMGQWKRAFF-UHFFFAOYSA-N -1 3 384.425 0.640 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCOC1 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/nfs/dbraw/zinc/26/31/92/953263192.db2.gz XMLZIWRHDCJKBQ-OAHLLOKOSA-N -1 3 384.444 0.310 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571243148 953263561 /nfs/dbraw/zinc/26/35/61/953263561.db2.gz XENFQNKXGFBMAO-QWHCGFSZSA-N -1 3 384.444 0.073 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571243148 953263563 /nfs/dbraw/zinc/26/35/63/953263563.db2.gz XENFQNKXGFBMAO-QWHCGFSZSA-N -1 3 384.444 0.073 20 0 GCADHM CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571243224 953263934 /nfs/dbraw/zinc/26/39/34/953263934.db2.gz ZSZNOQWPKMYTLQ-STQMWFEESA-N -1 3 384.444 0.167 20 0 GCADHM CCN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571243224 953263935 /nfs/dbraw/zinc/26/39/35/953263935.db2.gz ZSZNOQWPKMYTLQ-STQMWFEESA-N -1 3 384.444 0.167 20 0 GCADHM CCCN1C[C@H](C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CC1=O ZINC001571243209 953263949 /nfs/dbraw/zinc/26/39/49/953263949.db2.gz ZMTKHLSVCWCSEH-CHWSQXEVSA-N -1 3 384.444 0.215 20 0 GCADHM CCCN1C[C@H](C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CC1=O ZINC001571243209 953263950 /nfs/dbraw/zinc/26/39/50/953263950.db2.gz ZMTKHLSVCWCSEH-CHWSQXEVSA-N -1 3 384.444 0.215 20 0 GCADHM CCCN1C[C@H](C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CC1=O ZINC001571243210 953264305 /nfs/dbraw/zinc/26/43/05/953264305.db2.gz ZMTKHLSVCWCSEH-OLZOCXBDSA-N -1 3 384.444 0.215 20 0 GCADHM CCCN1C[C@H](C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CC1=O ZINC001571243210 953264306 /nfs/dbraw/zinc/26/43/06/953264306.db2.gz ZMTKHLSVCWCSEH-OLZOCXBDSA-N -1 3 384.444 0.215 20 0 GCADHM CCCn1ncnc1CN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571244961 953268870 /nfs/dbraw/zinc/26/88/70/953268870.db2.gz BGQZDGSDONQKGY-GFCCVEGCSA-N -1 3 384.448 0.543 20 0 GCADHM CCCn1ncnc1CN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571244961 953268874 /nfs/dbraw/zinc/26/88/74/953268874.db2.gz BGQZDGSDONQKGY-GFCCVEGCSA-N -1 3 384.448 0.543 20 0 GCADHM CC(C)n1cc(CN2CC[C@H](N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571244990 953269020 /nfs/dbraw/zinc/26/90/20/953269020.db2.gz BWTPWKQGELBIIS-AWEZNQCLSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@H](N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571244990 953269022 /nfs/dbraw/zinc/26/90/22/953269022.db2.gz BWTPWKQGELBIIS-AWEZNQCLSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571245661 953275492 /nfs/dbraw/zinc/27/54/92/953275492.db2.gz KLMQAWIQDYAOMG-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571245661 953275494 /nfs/dbraw/zinc/27/54/94/953275494.db2.gz KLMQAWIQDYAOMG-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001571245970 953278827 /nfs/dbraw/zinc/27/88/27/953278827.db2.gz PQKFUDNQUPFMRR-DGCLKSJQSA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001571245970 953278832 /nfs/dbraw/zinc/27/88/32/953278832.db2.gz PQKFUDNQUPFMRR-DGCLKSJQSA-N -1 3 384.448 0.760 20 0 GCADHM CCCn1ncnc1CN[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571246037 953279230 /nfs/dbraw/zinc/27/92/30/953279230.db2.gz RCTMOEBVPOGBIA-VXGBXAGGSA-N -1 3 384.448 0.589 20 0 GCADHM CC(C)n1cc(CN2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001571246310 953282652 /nfs/dbraw/zinc/28/26/52/953282652.db2.gz XUSPTBUSYZTUHB-LBPRGKRZSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001571246310 953282655 /nfs/dbraw/zinc/28/26/55/953282655.db2.gz XUSPTBUSYZTUHB-LBPRGKRZSA-N -1 3 384.448 0.762 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571247557 953283425 /nfs/dbraw/zinc/28/34/25/953283425.db2.gz ANPQWTWHWUCGOG-STQMWFEESA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571247557 953283427 /nfs/dbraw/zinc/28/34/27/953283427.db2.gz ANPQWTWHWUCGOG-STQMWFEESA-N -1 3 384.444 0.438 20 0 GCADHM Cc1nc(N2CC[C@@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571248126 953289745 /nfs/dbraw/zinc/28/97/45/953289745.db2.gz FABZLDCGQUWLOJ-GXTWGEPZSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1nc(N2CC[C@@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571248126 953289749 /nfs/dbraw/zinc/28/97/49/953289749.db2.gz FABZLDCGQUWLOJ-GXTWGEPZSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001571248846 953298008 /nfs/dbraw/zinc/29/80/08/953298008.db2.gz KFPPYOYGMZKROB-OXHZDVMGSA-N -1 3 384.444 0.531 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)n1 ZINC001571248846 953298011 /nfs/dbraw/zinc/29/80/11/953298011.db2.gz KFPPYOYGMZKROB-OXHZDVMGSA-N -1 3 384.444 0.531 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)n1 ZINC001571248898 953298634 /nfs/dbraw/zinc/29/86/34/953298634.db2.gz LJAVKLWYQFPWKQ-OCCSQVGLSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)n1 ZINC001571248898 953298638 /nfs/dbraw/zinc/29/86/38/953298638.db2.gz LJAVKLWYQFPWKQ-OCCSQVGLSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2)ccc1-c1nnn[n-]1 ZINC001571248892 953298982 /nfs/dbraw/zinc/29/89/82/953298982.db2.gz LGJCIWWIADRLQS-QWHCGFSZSA-N -1 3 384.444 0.133 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2)ccc1-c1nn[n-]n1 ZINC001571248892 953298984 /nfs/dbraw/zinc/29/89/84/953298984.db2.gz LGJCIWWIADRLQS-QWHCGFSZSA-N -1 3 384.444 0.133 20 0 GCADHM Cc1nc(NCC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571248963 953299606 /nfs/dbraw/zinc/29/96/06/953299606.db2.gz MYQKYNASMQPPJH-TZMCWYRMSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(NCC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571248963 953299608 /nfs/dbraw/zinc/29/96/08/953299608.db2.gz MYQKYNASMQPPJH-TZMCWYRMSA-N -1 3 384.444 0.499 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@@H]1CCC(=O)NC1 ZINC001571249420 953304512 /nfs/dbraw/zinc/30/45/12/953304512.db2.gz PNHMFHJLWQPLJM-OLZOCXBDSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@@H]1CCC(=O)NC1 ZINC001571249420 953304515 /nfs/dbraw/zinc/30/45/15/953304515.db2.gz PNHMFHJLWQPLJM-OLZOCXBDSA-N -1 3 384.444 0.263 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)ccc1-c1nnn[n-]1 ZINC001571249375 953304673 /nfs/dbraw/zinc/30/46/73/953304673.db2.gz PCIWGSGYBFDFLG-TZMCWYRMSA-N -1 3 384.444 0.642 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)ccc1-c1nn[n-]n1 ZINC001571249375 953304678 /nfs/dbraw/zinc/30/46/78/953304678.db2.gz PCIWGSGYBFDFLG-TZMCWYRMSA-N -1 3 384.444 0.642 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC001571250405 953311185 /nfs/dbraw/zinc/31/11/85/953311185.db2.gz RGQBOAXFOSVDOJ-UPJWGTAASA-N -1 3 384.444 0.355 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC001571250405 953311188 /nfs/dbraw/zinc/31/11/88/953311188.db2.gz RGQBOAXFOSVDOJ-UPJWGTAASA-N -1 3 384.444 0.355 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC001571251763 953319636 /nfs/dbraw/zinc/31/96/36/953319636.db2.gz WDBUNKCUWYQLAD-OLZOCXBDSA-N -1 3 384.444 0.133 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)C2)n1 ZINC001571251763 953319639 /nfs/dbraw/zinc/31/96/39/953319639.db2.gz WDBUNKCUWYQLAD-OLZOCXBDSA-N -1 3 384.444 0.133 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001571251772 953319677 /nfs/dbraw/zinc/31/96/77/953319677.db2.gz WPYWBJQNXUIFEK-KGLIPLIRSA-N -1 3 384.444 0.723 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001571251772 953319682 /nfs/dbraw/zinc/31/96/82/953319682.db2.gz WPYWBJQNXUIFEK-KGLIPLIRSA-N -1 3 384.444 0.723 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001571251771 953319936 /nfs/dbraw/zinc/31/99/36/953319936.db2.gz WPYWBJQNXUIFEK-KBPBESRZSA-N -1 3 384.444 0.723 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001571251771 953319940 /nfs/dbraw/zinc/31/99/40/953319940.db2.gz WPYWBJQNXUIFEK-KBPBESRZSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCNC(=O)CC1 ZINC001571252139 953324296 /nfs/dbraw/zinc/32/42/96/953324296.db2.gz XGSPYGUQCHNRNL-QWHCGFSZSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCNC(=O)CC1 ZINC001571252139 953324301 /nfs/dbraw/zinc/32/43/01/953324301.db2.gz XGSPYGUQCHNRNL-QWHCGFSZSA-N -1 3 384.444 0.263 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001571252191 953325188 /nfs/dbraw/zinc/32/51/88/953325188.db2.gz YGXYDWGPRJIHOM-OLZOCXBDSA-N -1 3 384.444 0.202 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001571252191 953325193 /nfs/dbraw/zinc/32/51/93/953325193.db2.gz YGXYDWGPRJIHOM-OLZOCXBDSA-N -1 3 384.444 0.202 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncn2C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571253977 953335591 /nfs/dbraw/zinc/33/55/91/953335591.db2.gz CHWOTNRRQYUPKJ-MFKMUULPSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncn2C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571253977 953335594 /nfs/dbraw/zinc/33/55/94/953335594.db2.gz CHWOTNRRQYUPKJ-MFKMUULPSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H](NC(=O)c1cnn(C)n1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571254859 953343183 /nfs/dbraw/zinc/34/31/83/953343183.db2.gz LOZYXAQVKPNETI-SNVBAGLBSA-N -1 3 385.407 0.385 20 0 GCADHM Cn1nnc(NC(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571255364 953349261 /nfs/dbraw/zinc/34/92/61/953349261.db2.gz ODYWCUATASAUOF-UHFFFAOYSA-N -1 3 385.392 0.297 20 0 GCADHM Cn1nnc(NC(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571255364 953349265 /nfs/dbraw/zinc/34/92/65/953349265.db2.gz ODYWCUATASAUOF-UHFFFAOYSA-N -1 3 385.392 0.297 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CN(C(=O)c2ccoc2)CCO1 ZINC001571255730 953353829 /nfs/dbraw/zinc/35/38/29/953353829.db2.gz MCPUYPGLWZFANN-QMTHXVAHSA-N -1 3 385.384 0.447 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CN(C(=O)c2ccoc2)CCO1 ZINC001571255730 953353838 /nfs/dbraw/zinc/35/38/38/953353838.db2.gz MCPUYPGLWZFANN-QMTHXVAHSA-N -1 3 385.384 0.447 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)oc1C ZINC001571255682 953354678 /nfs/dbraw/zinc/35/46/78/953354678.db2.gz LHZJQPPQIQJDPJ-CHWSQXEVSA-N -1 3 385.384 0.020 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)oc1C ZINC001571255682 953354683 /nfs/dbraw/zinc/35/46/83/953354683.db2.gz LHZJQPPQIQJDPJ-CHWSQXEVSA-N -1 3 385.384 0.020 20 0 GCADHM Cc1coc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)c1 ZINC001571256013 953361100 /nfs/dbraw/zinc/36/11/00/953361100.db2.gz OFZQLXXAVGTUCJ-GWCFXTLKSA-N 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C[C@H](C(=O)N1CCN[C@@H](Cc2ccc(F)cc2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001571256155 953363781 /nfs/dbraw/zinc/36/37/81/953363781.db2.gz ZJSKDTSUDLDIEA-RISCZKNCSA-N -1 3 385.407 0.201 20 0 GCADHM C[C@H](C(=O)N1CCN[C@@H](Cc2ccc(F)cc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001571256155 953363787 /nfs/dbraw/zinc/36/37/87/953363787.db2.gz ZJSKDTSUDLDIEA-RISCZKNCSA-N -1 3 385.407 0.201 20 0 GCADHM CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1 ZINC000533186811 953568986 /nfs/dbraw/zinc/56/89/86/953568986.db2.gz DQNNWGVPCJMDNH-CYBMUJFWSA-N -1 3 385.486 0.852 20 0 GCADHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1C ZINC000547576719 953577389 /nfs/dbraw/zinc/57/73/89/953577389.db2.gz QNZOFXKBKLQOTC-UHFFFAOYSA-N -1 3 387.458 0.636 20 0 GCADHM CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)NC2CCN(CC(=O)[O-])CC2)cn1 ZINC001593665116 953829215 /nfs/dbraw/zinc/82/92/15/953829215.db2.gz JNWBGMKRRLOEMJ-KUNJGFBQSA-N -1 3 397.501 0.267 20 0 GCADHM CC1CCN(CCNC(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1 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O=C([O-])[C@@H]1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000819151751 955435726 /nfs/dbraw/zinc/43/57/26/955435726.db2.gz WJOMJAAXGWGKGX-MRXNPFEDSA-N -1 3 375.425 0.182 20 0 GCADHM NC(=O)C1(N2CCCCC2)CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC001594636515 956377141 /nfs/dbraw/zinc/37/71/41/956377141.db2.gz JDBKAIIBANSHPT-UHFFFAOYSA-N -1 3 396.488 0.383 20 0 GCADHM COC[C@]1(C(=O)[O-])CCN(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1 ZINC001593966539 956550055 /nfs/dbraw/zinc/55/00/55/956550055.db2.gz MADPEUSPUGTKEJ-IBGZPJMESA-N -1 3 396.440 0.752 20 0 GCADHM COC[C@@]1(C(=O)[O-])CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001593967616 956573399 /nfs/dbraw/zinc/57/33/99/956573399.db2.gz UCIZTCMGIZQUBG-QGZVFWFLSA-N -1 3 379.369 0.487 20 0 GCADHM COC(=O)CCN(CC(=O)[O-])C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000902719586 956780163 /nfs/dbraw/zinc/78/01/63/956780163.db2.gz YLXJKNDVPMMKFJ-UHFFFAOYSA-N -1 3 377.441 0.675 20 0 GCADHM COC[C@]1(C(=O)[O-])CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CCO1 ZINC001593986178 956783132 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381.473 0.951 20 0 GCADHM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N(CCN(C)C)CC(=O)[O-])c1 ZINC000532686523 968399153 /nfs/dbraw/zinc/39/91/53/968399153.db2.gz JQPNWAAYJZGHKM-UHFFFAOYSA-N -1 3 385.486 0.447 20 0 GCADHM CN(C)CCN(CC(=O)N(C)C)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000852959065 969303598 /nfs/dbraw/zinc/30/35/98/969303598.db2.gz WSMNSCNRSJWFJD-MRXNPFEDSA-N -1 3 389.456 0.184 20 0 GCADHM C[C@H](NC(=O)[C@H](C)N1CC[C@H](C)[C@H](C(=O)[O-])C1)c1ccc(S(N)(=O)=O)cc1 ZINC001118238291 969665156 /nfs/dbraw/zinc/66/51/56/969665156.db2.gz BWTPVIFEUHVEBZ-WFGGJUAMSA-N -1 3 397.497 0.942 20 0 GCADHM CN1CCN(CCCCNC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)CC1 ZINC001604221143 972713521 /nfs/dbraw/zinc/71/35/21/972713521.db2.gz OKLSWXKJNQPWDQ-KOHRHEQBSA-N -1 3 382.505 0.726 20 0 GCADHM CN1CCN(CCNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1(C)C ZINC001604221683 972720800 /nfs/dbraw/zinc/72/08/00/972720800.db2.gz ZEOLJUOYUVYIQV-KRWDZBQOSA-N -1 3 387.484 0.848 20 0 GCADHM COCCN(C)CCN1C[C@H](NC(=O)Cc2ccccc2C(=O)[O-])CC1=O ZINC001604584677 973677809 /nfs/dbraw/zinc/67/78/09/973677809.db2.gz YWWWVKSZNIXHML-OAHLLOKOSA-N -1 3 377.441 0.223 20 0 GCADHM CC(C)(C(=O)[O-])N1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000630221558 975167224 /nfs/dbraw/zinc/16/72/24/975167224.db2.gz CCFYGWCTKZSDCM-UHFFFAOYSA-N -1 3 375.425 0.958 20 0 GCADHM C[C@@H]1Oc2ccccc2N(CC(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)C1=O ZINC000630223861 975171120 /nfs/dbraw/zinc/17/11/20/975171120.db2.gz YPHOLQKRVBNOME-ZDUSSCGKSA-N -1 3 375.425 0.808 20 0 GCADHM Cc1cc(N2CCC[C@@H](N3CCN([C@@H](C(=O)[O-])C4CC4)CC3)C2=O)n(C)n1 ZINC000635016968 975282921 /nfs/dbraw/zinc/28/29/21/975282921.db2.gz QDKSNCMXCMDXBY-NVXWUHKLSA-N -1 3 375.473 0.705 20 0 GCADHM CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)[O-])C2)n1CCN1CCC[C@H]1C ZINC001591661177 975400835 /nfs/dbraw/zinc/40/08/35/975400835.db2.gz VUWHFJZYGWYCSU-KGLIPLIRSA-N -1 3 378.477 0.812 20 0 GCADHM CC(C)NC(=O)c1nnc(N2CC[C@@H](C(=O)[O-])C2)n1CCN1CCC[C@@H]1C ZINC001591661178 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O=S(=O)([N-][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cnc(Cl)c(F)c1 ZINC000287906712 530413013 /nfs/dbraw/zinc/41/30/13/530413013.db2.gz SPFGKUQQSQFKPD-RNCFNFMXSA-N -1 3 398.865 0.889 20 0 GCADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NCCSC(C)C)ccc1F ZINC000287983439 530413441 /nfs/dbraw/zinc/41/34/41/530413441.db2.gz JNOCIIGYBBFYGJ-UHFFFAOYSA-N -1 3 377.463 0.930 20 0 GCADHM CCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000287447903 530408877 /nfs/dbraw/zinc/40/88/77/530408877.db2.gz CMPHALGNTWODKR-HNNXBMFYSA-N -1 3 375.422 0.340 20 0 GCADHM CC(C)NC(=O)OC1CN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)C1 ZINC000288061136 530414300 /nfs/dbraw/zinc/41/43/00/530414300.db2.gz FMVMRPCDNVEVPY-SNVBAGLBSA-N -1 3 375.472 0.760 20 0 GCADHM CCN1CCN(C[C@H](C)C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)CC1 ZINC000288088865 530414758 /nfs/dbraw/zinc/41/47/58/530414758.db2.gz KKMOBYCQUXQFKN-GFCCVEGCSA-N -1 3 389.547 0.653 20 0 GCADHM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)nc2)C[C@H](C)S1(=O)=O ZINC000288634321 530419900 /nfs/dbraw/zinc/41/99/00/530419900.db2.gz KNNBYKUZVFFMMD-CMPLNLGQSA-N -1 3 375.472 0.027 20 0 GCADHM COCc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)CC2 ZINC000288213064 530415455 /nfs/dbraw/zinc/41/54/55/530415455.db2.gz QVLXDVLEOKSGNP-QMMMGPOBSA-N -1 3 375.813 0.905 20 0 GCADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000592403416 530416235 /nfs/dbraw/zinc/41/62/35/530416235.db2.gz SQUCDSKBWRVFHY-ZIAGYGMSSA-N -1 3 387.527 0.474 20 0 GCADHM C[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)ccc1F ZINC000288266929 530416298 /nfs/dbraw/zinc/41/62/98/530416298.db2.gz KADVSVBSQVRNQP-NSHDSACASA-N -1 3 390.458 0.887 20 0 GCADHM CNS(=O)(=O)CC[N-]S(=O)(=O)c1sc(Br)cc1C ZINC000651662579 530416849 /nfs/dbraw/zinc/41/68/49/530416849.db2.gz GHUNUOUSEAWJAO-UHFFFAOYSA-N -1 3 377.307 0.647 20 0 GCADHM CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000531213302 530416994 /nfs/dbraw/zinc/41/69/94/530416994.db2.gz DMEDBJMVBKAITE-SECBINFHSA-N -1 3 391.496 0.976 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(C)(C)OCCO)cc1F ZINC000288356325 530417381 /nfs/dbraw/zinc/41/73/81/530417381.db2.gz JFLGZQJPYQGYGT-UHFFFAOYSA-N -1 3 398.478 0.653 20 0 GCADHM COC(=O)[C@H]1CNCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000592555862 530417694 /nfs/dbraw/zinc/41/76/94/530417694.db2.gz QSWFCBAVBZZYER-SECBINFHSA-N -1 3 395.890 0.043 20 0 GCADHM CC(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000288487428 530418431 /nfs/dbraw/zinc/41/84/31/530418431.db2.gz VWUCDRXZGJVBKU-UHFFFAOYSA-N -1 3 398.890 0.306 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000288495782 530418502 /nfs/dbraw/zinc/41/85/02/530418502.db2.gz AWSJFBDASVNGAH-VIFPVBQESA-N -1 3 379.891 0.855 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000288495776 530418672 /nfs/dbraw/zinc/41/86/72/530418672.db2.gz AWSJFBDASVNGAH-SECBINFHSA-N -1 3 379.891 0.855 20 0 GCADHM CC[C@H](NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)C(=O)OC(C)(C)C ZINC000592951162 530419447 /nfs/dbraw/zinc/41/94/47/530419447.db2.gz GNBOIHWICJXZAE-NSHDSACASA-N -1 3 375.447 0.806 20 0 GCADHM CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C)nc2)C[C@@H](C)S1(=O)=O ZINC000288634331 530419865 /nfs/dbraw/zinc/41/98/65/530419865.db2.gz KNNBYKUZVFFMMD-ZYHUDNBSSA-N -1 3 375.472 0.027 20 0 GCADHM CCOC(=O)[C@H]1CCCN(S(=O)(=O)[N-]Cc2nc(C(=O)OC)co2)C1 ZINC000593645393 530424117 /nfs/dbraw/zinc/42/41/17/530424117.db2.gz IXGIETAIXIFSMM-JTQLQIEISA-N -1 3 375.403 0.071 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC[C@]1(O)CCCOC1 ZINC000593660508 530423791 /nfs/dbraw/zinc/42/37/91/530423791.db2.gz IAMYQKCUDZUEDV-ZYHUDNBSSA-N -1 3 377.381 0.722 20 0 GCADHM COC(=O)[C@H]1CSCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000289263084 530424015 /nfs/dbraw/zinc/42/40/15/530424015.db2.gz AJAODFKTOLKVKV-LLVKDONJSA-N -1 3 398.459 0.434 20 0 GCADHM CC[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)C[C@@H](C)S1(=O)=O ZINC000288819028 530420722 /nfs/dbraw/zinc/42/07/22/530420722.db2.gz UXNSSECDDREEQE-PWSUYJOCSA-N -1 3 392.474 0.772 20 0 GCADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCNS(=O)(=O)CC)c(F)c1 ZINC000593539301 530421942 /nfs/dbraw/zinc/42/19/42/530421942.db2.gz VUKHCYRDBIGHCE-UHFFFAOYSA-N -1 3 396.462 0.610 20 0 GCADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CO)[C@H]2CCOC2)c(F)c1 ZINC000593591561 530422734 /nfs/dbraw/zinc/42/27/34/530422734.db2.gz OFMIJGGTQNNDGY-STQMWFEESA-N -1 3 375.418 0.926 20 0 GCADHM CCn1cnnc1C[N-]S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000289097791 530422829 /nfs/dbraw/zinc/42/28/29/530422829.db2.gz IVMFTUIEURDYKM-UHFFFAOYSA-N -1 3 378.863 0.833 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@]2(C)CCOC2=O)cc1F ZINC000289649841 530426499 /nfs/dbraw/zinc/42/64/99/530426499.db2.gz SZARORNAWICWSS-ZDUSSCGKSA-N -1 3 380.419 0.571 20 0 GCADHM O=C(C[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)NCCc1ccccc1Cl ZINC000289614780 530426664 /nfs/dbraw/zinc/42/66/64/530426664.db2.gz DGUWTKACQANVCN-GFCCVEGCSA-N -1 3 394.902 0.105 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N[C@@H]1CCC(=O)NC1 ZINC000289657456 530426780 /nfs/dbraw/zinc/42/67/80/530426780.db2.gz DHSJTFMMGHKMKK-SECBINFHSA-N -1 3 379.360 0.379 20 0 GCADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@]2(C)CCOC2=O)cc1F ZINC000289652131 530426925 /nfs/dbraw/zinc/42/69/25/530426925.db2.gz TUAQQDILHMXXEW-CQSZACIVSA-N -1 3 394.446 0.960 20 0 GCADHM O=C(C[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc2c(c1)CCCO2 ZINC000289859668 530428436 /nfs/dbraw/zinc/42/84/36/530428436.db2.gz QWKUJIBTUURUDY-CYBMUJFWSA-N -1 3 388.467 0.057 20 0 GCADHM CC(C)S(=O)(=O)CCNC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000289352548 530424282 /nfs/dbraw/zinc/42/42/82/530424282.db2.gz GYGHXEPOPWFWNP-UHFFFAOYSA-N -1 3 383.517 0.149 20 0 GCADHM CCC[C@H](NC(=O)C[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000289369029 530424564 /nfs/dbraw/zinc/42/45/64/530424564.db2.gz NZHDHWQIGIPTLD-CABCVRRESA-N -1 3 388.511 0.751 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@]2(C)CCOC2=O)c(OC)c1 ZINC000289404042 530424586 /nfs/dbraw/zinc/42/45/86/530424586.db2.gz AHEHBVPWTHKVJO-AWEZNQCLSA-N -1 3 392.455 0.441 20 0 GCADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2COC[C@@H]2OC)cc1F ZINC000289409141 530424677 /nfs/dbraw/zinc/42/46/77/530424677.db2.gz ATHKLOXFMLTZDA-KBPBESRZSA-N -1 3 396.462 0.670 20 0 GCADHM CN(C(=O)C[N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCc2ccccc21 ZINC000289382674 530424780 /nfs/dbraw/zinc/42/47/80/530424780.db2.gz BURUGXRYCZDCBX-DZGCQCFKSA-N -1 3 386.495 0.239 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000593836015 530425265 /nfs/dbraw/zinc/42/52/65/530425265.db2.gz RHJKFASOLWXIDC-DCAQKATOSA-N -1 3 376.456 0.204 20 0 GCADHM Cc1cc([C@H](C)NC(=O)C[N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c(C)s1 ZINC000289519530 530425504 /nfs/dbraw/zinc/42/55/04/530425504.db2.gz LGUXKFZYQUNNOH-JQWIXIFHSA-N -1 3 394.540 0.649 20 0 GCADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](n2cc(C)cn2)C1 ZINC000289531118 530425703 /nfs/dbraw/zinc/42/57/03/530425703.db2.gz MZMMOMRXYWWLEL-CYBMUJFWSA-N -1 3 384.483 0.735 20 0 GCADHM CCc1nnc(C[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000289556255 530425812 /nfs/dbraw/zinc/42/58/12/530425812.db2.gz OOCYGXHYCUEKAH-UHFFFAOYSA-N -1 3 390.512 0.829 20 0 GCADHM C[C@H](O)[C@H]([N-]S(=O)(=O)CC1CCS(=O)(=O)CC1)c1ccccc1F ZINC000651794007 530425989 /nfs/dbraw/zinc/42/59/89/530425989.db2.gz YAALRYKTYUSGPK-NHYWBVRUSA-N -1 3 379.475 0.992 20 0 GCADHM COCCN1CC[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000593910875 530426032 /nfs/dbraw/zinc/42/60/32/530426032.db2.gz GDOBHGDCGOPVJD-SNVBAGLBSA-N -1 3 381.907 0.517 20 0 GCADHM CCOc1cc(NC(=O)C[N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1C ZINC000290164077 530430631 /nfs/dbraw/zinc/43/06/31/530430631.db2.gz RDYVZOLIXXDEKA-ZDUSSCGKSA-N -1 3 390.483 0.439 20 0 GCADHM CCN1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1=O ZINC000651856557 530430835 /nfs/dbraw/zinc/43/08/35/530430835.db2.gz HXCULSZLCYWIPF-SNVBAGLBSA-N -1 3 389.861 0.351 20 0 GCADHM Cc1ccc([C@@H](C)NC(=O)C[N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000290196665 530430988 /nfs/dbraw/zinc/43/09/88/530430988.db2.gz SRJQYJOIAIBHKQ-UKRRQHHQSA-N -1 3 388.511 0.587 20 0 GCADHM CCN1C[C@@H](C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1=O ZINC000651857077 530431195 /nfs/dbraw/zinc/43/11/95/530431195.db2.gz WMXRWTUJYHNJIG-SNVBAGLBSA-N -1 3 378.447 0.376 20 0 GCADHM O=C(C[N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1)N[C@H]1CCc2cc(F)ccc21 ZINC000290240748 530431336 /nfs/dbraw/zinc/43/13/36/530431336.db2.gz VKKRHNJYHJDVJZ-JSGCOSHPSA-N -1 3 390.458 0.036 20 0 GCADHM C[C@H](c1ccccc1)[C@H](C)NC(=O)C[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000290275894 530431467 /nfs/dbraw/zinc/43/14/67/530431467.db2.gz FOKDGWAGHGXDNV-KCQAQPDRSA-N -1 3 388.511 0.401 20 0 GCADHM Cc1cc(C)cc([C@@H](C)NC(=O)C[N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 ZINC000290280307 530431973 /nfs/dbraw/zinc/43/19/73/530431973.db2.gz QSMKQKOAQLCVQQ-HIFRSBDPSA-N -1 3 388.511 0.587 20 0 GCADHM Cc1ccc([C@H]2CCCN2C(=O)C[N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)o1 ZINC000290394678 530432479 /nfs/dbraw/zinc/43/24/79/530432479.db2.gz DRGVAYYDVXYHSO-QWHCGFSZSA-N -1 3 390.483 0.358 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1cccc2c1OCO2 ZINC000617388393 530433024 /nfs/dbraw/zinc/43/30/24/530433024.db2.gz UKPVRLADMLAFRR-UHFFFAOYSA-N -1 3 382.170 0.757 20 0 GCADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)OC ZINC000289888563 530428684 /nfs/dbraw/zinc/42/86/84/530428684.db2.gz MTNVMEMDJRBMRD-SNVBAGLBSA-N -1 3 394.833 0.061 20 0 GCADHM COCC[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)OC ZINC000289908246 530428966 /nfs/dbraw/zinc/42/89/66/530428966.db2.gz NXRBRFVAVYDWQU-LLVKDONJSA-N -1 3 399.874 0.600 20 0 GCADHM CN(Cc1ccccc1Cl)C(=O)C[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000289899102 530429004 /nfs/dbraw/zinc/42/90/04/530429004.db2.gz MYSQJFXLURJXAE-GFCCVEGCSA-N -1 3 394.902 0.405 20 0 GCADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCO)C[C@@H](C)O)cc1F ZINC000290074955 530429728 /nfs/dbraw/zinc/42/97/28/530429728.db2.gz CTHLIAQOIDDRDJ-LLVKDONJSA-N -1 3 398.478 0.340 20 0 GCADHM Cc1ccc([C@H](C)N(C)C(=O)C[N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000290056598 530429770 /nfs/dbraw/zinc/42/97/70/530429770.db2.gz DUSZPQZEQSONJX-DZGCQCFKSA-N -1 3 388.511 0.621 20 0 GCADHM CCS(=O)(=O)NCCS(=O)(=O)[N-]C[C@@]1(C)OCCc2sccc21 ZINC000290062786 530429925 /nfs/dbraw/zinc/42/99/25/530429925.db2.gz FFYQBOSFCFPCMM-CYBMUJFWSA-N -1 3 382.529 0.395 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC[S@](=O)C1 ZINC000290076240 530430213 /nfs/dbraw/zinc/43/02/13/530430213.db2.gz GMWKMFHQGFNPTK-STFLBKPXSA-N -1 3 398.503 0.586 20 0 GCADHM CCC[C@@H](C)c1cc(NC(=O)C[N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)n[nH]1 ZINC000290133253 530430263 /nfs/dbraw/zinc/43/02/63/530430263.db2.gz UBZCMUNFBDOAMG-GHMZBOCLSA-N -1 3 392.503 0.358 20 0 GCADHM C[C@H](CNC(=O)C[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)Cc1cccs1 ZINC000290134858 530430312 /nfs/dbraw/zinc/43/03/12/530430312.db2.gz UFNNJXQOJIKION-WCQYABFASA-N -1 3 394.540 0.149 20 0 GCADHM CSc1nnc(CNC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)s1 ZINC000290752497 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ZINC000735571670 598830813 /nfs/dbraw/zinc/83/08/13/598830813.db2.gz GVUCWLCKCOQOAK-NWDGAFQWSA-N -1 3 380.474 0.236 20 0 GCADHM C[C@H]([C@H](C)N(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000735571670 598830814 /nfs/dbraw/zinc/83/08/14/598830814.db2.gz GVUCWLCKCOQOAK-NWDGAFQWSA-N -1 3 380.474 0.236 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735571586 598831084 /nfs/dbraw/zinc/83/10/84/598831084.db2.gz FTFDUYMRHQVSQR-RYUDHWBXSA-N -1 3 380.474 0.236 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735571586 598831085 /nfs/dbraw/zinc/83/10/85/598831085.db2.gz FTFDUYMRHQVSQR-RYUDHWBXSA-N -1 3 380.474 0.236 20 0 GCADHM COCCN(CCC(=O)OC)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736994096 598832405 /nfs/dbraw/zinc/83/24/05/598832405.db2.gz DMYSGONQHJONAD-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM COCCN(CCC(=O)OC)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736994096 598832407 /nfs/dbraw/zinc/83/24/07/598832407.db2.gz DMYSGONQHJONAD-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM CSc1[nH]c(=O)c(C(=O)N2CCN(C3CCC3)CC2)cc1-c1nnn[n-]1 ZINC000737187752 598841805 /nfs/dbraw/zinc/84/18/05/598841805.db2.gz TZZXMFXOXLPKLW-UHFFFAOYSA-N -1 3 375.458 1.000 20 0 GCADHM CSc1[nH]c(=O)c(C(=O)N2CCN(C3CCC3)CC2)cc1-c1nn[n-]n1 ZINC000737187752 598841806 /nfs/dbraw/zinc/84/18/06/598841806.db2.gz TZZXMFXOXLPKLW-UHFFFAOYSA-N -1 3 375.458 1.000 20 0 GCADHM CN(Cc1nnc2ccccn21)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736830496 598842018 /nfs/dbraw/zinc/84/20/18/598842018.db2.gz KZYUZUMEZQBJTE-UHFFFAOYSA-N -1 3 391.395 0.298 20 0 GCADHM CN(Cc1nnc2ccccn21)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736830496 598842020 /nfs/dbraw/zinc/84/20/20/598842020.db2.gz KZYUZUMEZQBJTE-UHFFFAOYSA-N -1 3 391.395 0.298 20 0 GCADHM CCc1nc(COC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)no1 ZINC000736704235 598843678 /nfs/dbraw/zinc/84/36/78/598843678.db2.gz KKGJWWKPHOONKL-UHFFFAOYSA-N -1 3 381.356 0.937 20 0 GCADHM CCc1nc(COC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)no1 ZINC000736704235 598843680 /nfs/dbraw/zinc/84/36/80/598843680.db2.gz KKGJWWKPHOONKL-UHFFFAOYSA-N -1 3 381.356 0.937 20 0 GCADHM Cn1nnnc1COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000737625979 598844229 /nfs/dbraw/zinc/84/42/29/598844229.db2.gz DQVHHYBIFZZAOW-UHFFFAOYSA-N -1 3 382.340 0.919 20 0 GCADHM Cn1nnnc1COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000737625979 598844230 /nfs/dbraw/zinc/84/42/30/598844230.db2.gz DQVHHYBIFZZAOW-UHFFFAOYSA-N -1 3 382.340 0.919 20 0 GCADHM Cn1nnnc1COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737626808 598845473 /nfs/dbraw/zinc/84/54/73/598845473.db2.gz LKUOSDOFTQCMNL-UHFFFAOYSA-N -1 3 382.340 0.919 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccnc(N2CCCC2)n1 ZINC000738077932 598845910 /nfs/dbraw/zinc/84/59/10/598845910.db2.gz JOUNJISVEDXPKV-UHFFFAOYSA-N -1 3 380.416 0.494 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccnc(N2CCCC2)n1 ZINC000738077932 598845911 /nfs/dbraw/zinc/84/59/11/598845911.db2.gz JOUNJISVEDXPKV-UHFFFAOYSA-N -1 3 380.416 0.494 20 0 GCADHM COC(=O)NCCCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736936694 598846277 /nfs/dbraw/zinc/84/62/77/598846277.db2.gz GSMKFCWQIBQHGF-SNVBAGLBSA-N -1 3 376.373 0.873 20 0 GCADHM COC(=O)NCCCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736936694 598846278 /nfs/dbraw/zinc/84/62/78/598846278.db2.gz GSMKFCWQIBQHGF-SNVBAGLBSA-N -1 3 376.373 0.873 20 0 GCADHM COC(=O)N[C@H](C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736936353 598846306 /nfs/dbraw/zinc/84/63/06/598846306.db2.gz PIEUNYQKBRZEQL-ZDUSSCGKSA-N -1 3 376.373 0.729 20 0 GCADHM COC(=O)N[C@H](C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736936353 598846307 /nfs/dbraw/zinc/84/63/07/598846307.db2.gz PIEUNYQKBRZEQL-ZDUSSCGKSA-N -1 3 376.373 0.729 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000737204172 598846655 /nfs/dbraw/zinc/84/66/55/598846655.db2.gz ZFWUPHFKZDJFAC-UHFFFAOYSA-N -1 3 383.343 0.936 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000737204172 598846656 /nfs/dbraw/zinc/84/66/56/598846656.db2.gz ZFWUPHFKZDJFAC-UHFFFAOYSA-N -1 3 383.343 0.936 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)n1C ZINC000737523549 598846742 /nfs/dbraw/zinc/84/67/42/598846742.db2.gz UJUTUGYKNPBKJK-UHFFFAOYSA-N -1 3 395.471 0.581 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)n1C ZINC000737523549 598846744 /nfs/dbraw/zinc/84/67/44/598846744.db2.gz UJUTUGYKNPBKJK-UHFFFAOYSA-N -1 3 395.471 0.581 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)n1C ZINC000737519677 598846997 /nfs/dbraw/zinc/84/69/97/598846997.db2.gz CQPVWTNBJLCEHG-UHFFFAOYSA-N -1 3 397.443 0.027 20 0 GCADHM O=C(COC(=O)c1cnn2ccccc12)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737915014 598847331 /nfs/dbraw/zinc/84/73/31/598847331.db2.gz BWWVCRSRJZJBDJ-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM O=C(COC(=O)c1cnn2ccccc12)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737915014 598847332 /nfs/dbraw/zinc/84/73/32/598847332.db2.gz BWWVCRSRJZJBDJ-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735571564 598852028 /nfs/dbraw/zinc/85/20/28/598852028.db2.gz FSDQPZGYPKVSTK-MNOVXSKESA-N -1 3 396.477 0.137 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735571564 598852030 /nfs/dbraw/zinc/85/20/30/598852030.db2.gz FSDQPZGYPKVSTK-MNOVXSKESA-N -1 3 396.477 0.137 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCS(=O)(=O)C[C@@H]1C ZINC000737521972 598852555 /nfs/dbraw/zinc/85/25/55/598852555.db2.gz DFJVRGFLZDGWMK-NSHDSACASA-N -1 3 388.457 0.510 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCS(=O)(=O)C[C@@H]1C ZINC000737521972 598852557 /nfs/dbraw/zinc/85/25/57/598852557.db2.gz DFJVRGFLZDGWMK-NSHDSACASA-N -1 3 388.457 0.510 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCS(=O)(=O)C[C@H]1C ZINC000737521962 598852830 /nfs/dbraw/zinc/85/28/30/598852830.db2.gz DFJVRGFLZDGWMK-LLVKDONJSA-N -1 3 388.457 0.510 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCS(=O)(=O)C[C@H]1C ZINC000737521962 598852831 /nfs/dbraw/zinc/85/28/31/598852831.db2.gz DFJVRGFLZDGWMK-LLVKDONJSA-N -1 3 388.457 0.510 20 0 GCADHM CN(Cc1ccon1)CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736829442 598853072 /nfs/dbraw/zinc/85/30/72/598853072.db2.gz DKBFYRJRTZQZAV-KRWDZBQOSA-N -1 3 382.384 0.711 20 0 GCADHM CN(Cc1ccon1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736829442 598853073 /nfs/dbraw/zinc/85/30/73/598853073.db2.gz DKBFYRJRTZQZAV-KRWDZBQOSA-N -1 3 382.384 0.711 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736041590 598853222 /nfs/dbraw/zinc/85/32/22/598853222.db2.gz YFHLMXJQDPJDLY-LLVKDONJSA-N -1 3 378.458 0.974 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736041590 598853224 /nfs/dbraw/zinc/85/32/24/598853224.db2.gz YFHLMXJQDPJDLY-LLVKDONJSA-N -1 3 378.458 0.974 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736041592 598853555 /nfs/dbraw/zinc/85/35/55/598853555.db2.gz YFHLMXJQDPJDLY-NSHDSACASA-N -1 3 378.458 0.974 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736041592 598853556 /nfs/dbraw/zinc/85/35/56/598853556.db2.gz YFHLMXJQDPJDLY-NSHDSACASA-N -1 3 378.458 0.974 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736657555 598853835 /nfs/dbraw/zinc/85/38/35/598853835.db2.gz SRPQAYJSRDNQGJ-SNVBAGLBSA-N -1 3 380.430 0.087 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736657555 598853837 /nfs/dbraw/zinc/85/38/37/598853837.db2.gz SRPQAYJSRDNQGJ-SNVBAGLBSA-N -1 3 380.430 0.087 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735571853 598854979 /nfs/dbraw/zinc/85/49/79/598854979.db2.gz LDNPQMPMEDXSOR-UWVGGRQHSA-N -1 3 380.430 0.085 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735571853 598854980 /nfs/dbraw/zinc/85/49/80/598854980.db2.gz LDNPQMPMEDXSOR-UWVGGRQHSA-N -1 3 380.430 0.085 20 0 GCADHM O=C(NCCN1C(=O)CNC1=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738305856 598855078 /nfs/dbraw/zinc/85/50/78/598855078.db2.gz CUQRWGFQWNYKHQ-UHFFFAOYSA-N -1 3 384.400 0.093 20 0 GCADHM O=C(NCCN1C(=O)CNC1=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738305856 598855079 /nfs/dbraw/zinc/85/50/79/598855079.db2.gz CUQRWGFQWNYKHQ-UHFFFAOYSA-N -1 3 384.400 0.093 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735571855 598855353 /nfs/dbraw/zinc/85/53/53/598855353.db2.gz LDNPQMPMEDXSOR-ZJUUUORDSA-N -1 3 380.430 0.085 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735571855 598855354 /nfs/dbraw/zinc/85/53/54/598855354.db2.gz LDNPQMPMEDXSOR-ZJUUUORDSA-N -1 3 380.430 0.085 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](OC)C(F)(F)F ZINC000737058359 598855937 /nfs/dbraw/zinc/85/59/37/598855937.db2.gz KTRPGMOYSHIHAZ-SNVBAGLBSA-N -1 3 388.306 0.507 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](OC)C(F)(F)F ZINC000737058359 598855938 /nfs/dbraw/zinc/85/59/38/598855938.db2.gz KTRPGMOYSHIHAZ-SNVBAGLBSA-N -1 3 388.306 0.507 20 0 GCADHM CN(C)c1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc(Cl)n1 ZINC000736773475 598856809 /nfs/dbraw/zinc/85/68/09/598856809.db2.gz NSZGCVRUKDSNGD-UHFFFAOYSA-N -1 3 377.796 0.617 20 0 GCADHM CN(C)c1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc(Cl)n1 ZINC000736773475 598856810 /nfs/dbraw/zinc/85/68/10/598856810.db2.gz NSZGCVRUKDSNGD-UHFFFAOYSA-N -1 3 377.796 0.617 20 0 GCADHM COCC(=O)NC1CCN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736966101 598860167 /nfs/dbraw/zinc/86/01/67/598860167.db2.gz KNFFTUNTIHCPID-INIZCTEOSA-N -1 3 388.428 0.308 20 0 GCADHM COCC(=O)NC1CCN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736966101 598860168 /nfs/dbraw/zinc/86/01/68/598860168.db2.gz KNFFTUNTIHCPID-INIZCTEOSA-N -1 3 388.428 0.308 20 0 GCADHM CCS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736658526 598860587 /nfs/dbraw/zinc/86/05/87/598860587.db2.gz DXSMUVXTBZUTEK-CQSZACIVSA-N -1 3 394.457 0.048 20 0 GCADHM CCS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736658526 598860589 /nfs/dbraw/zinc/86/05/89/598860589.db2.gz DXSMUVXTBZUTEK-CQSZACIVSA-N -1 3 394.457 0.048 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](c2noc(C)n2)C1 ZINC000736910252 598862161 /nfs/dbraw/zinc/86/21/61/598862161.db2.gz UXRODONCZRTYSB-KBPBESRZSA-N -1 3 385.384 0.846 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2noc(C)n2)C1 ZINC000736910252 598862162 /nfs/dbraw/zinc/86/21/62/598862162.db2.gz UXRODONCZRTYSB-KBPBESRZSA-N -1 3 385.384 0.846 20 0 GCADHM C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000736280714 598863035 /nfs/dbraw/zinc/86/30/35/598863035.db2.gz NYIOUKOUJRCHBP-BXUZGUMPSA-N -1 3 399.411 0.319 20 0 GCADHM C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000736280714 598863038 /nfs/dbraw/zinc/86/30/38/598863038.db2.gz NYIOUKOUJRCHBP-BXUZGUMPSA-N -1 3 399.411 0.319 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NCC1CCC1 ZINC000737823900 598863321 /nfs/dbraw/zinc/86/33/21/598863321.db2.gz CSHNQHWDFYBACE-CQSZACIVSA-N -1 3 383.412 0.988 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NCC1CCC1 ZINC000737823900 598863322 /nfs/dbraw/zinc/86/33/22/598863322.db2.gz CSHNQHWDFYBACE-CQSZACIVSA-N -1 3 383.412 0.988 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000736900173 598863730 /nfs/dbraw/zinc/86/37/30/598863730.db2.gz CYFLDAWKEZDQMW-FZMZJTMJSA-N -1 3 394.457 0.081 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000736900173 598863732 /nfs/dbraw/zinc/86/37/32/598863732.db2.gz CYFLDAWKEZDQMW-FZMZJTMJSA-N -1 3 394.457 0.081 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)Nc1cc[nH]n1 ZINC000737824318 598867581 /nfs/dbraw/zinc/86/75/81/598867581.db2.gz GKABZRVJMPHREP-LLVKDONJSA-N -1 3 381.356 0.434 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)Nc1cc[nH]n1 ZINC000737824318 598867583 /nfs/dbraw/zinc/86/75/83/598867583.db2.gz GKABZRVJMPHREP-LLVKDONJSA-N -1 3 381.356 0.434 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCN1C(=O)CCC1=O ZINC000735736306 598868234 /nfs/dbraw/zinc/86/82/34/598868234.db2.gz RTYYMGHMMHWOPS-INIZCTEOSA-N -1 3 386.412 0.535 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCN1C(=O)CCC1=O ZINC000735736306 598868236 /nfs/dbraw/zinc/86/82/36/598868236.db2.gz RTYYMGHMMHWOPS-INIZCTEOSA-N -1 3 386.412 0.535 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736304093 598870822 /nfs/dbraw/zinc/87/08/22/598870822.db2.gz NKMKHVOHUKCBON-UHFFFAOYSA-N -1 3 382.421 0.639 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736304093 598870823 /nfs/dbraw/zinc/87/08/23/598870823.db2.gz NKMKHVOHUKCBON-UHFFFAOYSA-N -1 3 382.421 0.639 20 0 GCADHM CCOC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736599881 598871777 /nfs/dbraw/zinc/87/17/77/598871777.db2.gz FSGYBJIHRYVJSQ-UHFFFAOYSA-N -1 3 398.420 0.859 20 0 GCADHM CCOC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736599881 598871779 /nfs/dbraw/zinc/87/17/79/598871779.db2.gz FSGYBJIHRYVJSQ-UHFFFAOYSA-N -1 3 398.420 0.859 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCCC[C@@H]1C1OCCO1 ZINC000738348297 598873895 /nfs/dbraw/zinc/87/38/95/598873895.db2.gz UCKPETJRUVNPMC-GFCCVEGCSA-N -1 3 383.405 0.922 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCCC[C@@H]1C1OCCO1 ZINC000738348297 598873897 /nfs/dbraw/zinc/87/38/97/598873897.db2.gz UCKPETJRUVNPMC-GFCCVEGCSA-N -1 3 383.405 0.922 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736039720 598874458 /nfs/dbraw/zinc/87/44/58/598874458.db2.gz KILBDBGXCXWXHE-QMMMGPOBSA-N -1 3 377.423 0.059 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736039720 598874459 /nfs/dbraw/zinc/87/44/59/598874459.db2.gz KILBDBGXCXWXHE-QMMMGPOBSA-N -1 3 377.423 0.059 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000585390150 598875018 /nfs/dbraw/zinc/87/50/18/598875018.db2.gz JMEDGTZLGXDICY-LBPRGKRZSA-N -1 3 395.416 0.970 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000585390148 598875247 /nfs/dbraw/zinc/87/52/47/598875247.db2.gz JMEDGTZLGXDICY-GFCCVEGCSA-N -1 3 395.416 0.970 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCOC[C@H]1C(F)(F)F ZINC000738328432 598875958 /nfs/dbraw/zinc/87/59/58/598875958.db2.gz BEDBGUBVDDIXST-NSHDSACASA-N -1 3 377.348 0.960 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCOC[C@H]1C(F)(F)F ZINC000738328432 598875959 /nfs/dbraw/zinc/87/59/59/598875959.db2.gz BEDBGUBVDDIXST-NSHDSACASA-N -1 3 377.348 0.960 20 0 GCADHM CC(=O)[C@@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735458443 598877669 /nfs/dbraw/zinc/87/76/69/598877669.db2.gz NLVNATBXLYOSDM-MFKMUULPSA-N -1 3 386.368 0.592 20 0 GCADHM CC(=O)[C@@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735458443 598877671 /nfs/dbraw/zinc/87/76/71/598877671.db2.gz NLVNATBXLYOSDM-MFKMUULPSA-N -1 3 386.368 0.592 20 0 GCADHM CCOCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736623473 598878022 /nfs/dbraw/zinc/87/80/22/598878022.db2.gz HRIYCCXSGKWZGU-CYBMUJFWSA-N -1 3 388.384 0.651 20 0 GCADHM CCOCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736623473 598878023 /nfs/dbraw/zinc/87/80/23/598878023.db2.gz HRIYCCXSGKWZGU-CYBMUJFWSA-N -1 3 388.384 0.651 20 0 GCADHM Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)n[nH]1 ZINC000737270322 598878479 /nfs/dbraw/zinc/87/84/79/598878479.db2.gz GAVQQSGTUUHUQP-GFCCVEGCSA-N -1 3 395.383 0.742 20 0 GCADHM Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)n[nH]1 ZINC000737270322 598878481 /nfs/dbraw/zinc/87/84/81/598878481.db2.gz GAVQQSGTUUHUQP-GFCCVEGCSA-N -1 3 395.383 0.742 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCN1C(=O)CCC1=O ZINC000735905433 598879122 /nfs/dbraw/zinc/87/91/22/598879122.db2.gz ILZFQYBVAMPIHT-UHFFFAOYSA-N -1 3 387.400 0.924 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCN1C(=O)CCC1=O ZINC000735905433 598879123 /nfs/dbraw/zinc/87/91/23/598879123.db2.gz ILZFQYBVAMPIHT-UHFFFAOYSA-N -1 3 387.400 0.924 20 0 GCADHM CCS(=O)(=O)N(C)CCCN[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736659262 598881285 /nfs/dbraw/zinc/88/12/85/598881285.db2.gz QXSKWYSUELFTDL-CQSZACIVSA-N -1 3 396.473 0.342 20 0 GCADHM CCS(=O)(=O)N(C)CCCN[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736659262 598881286 /nfs/dbraw/zinc/88/12/86/598881286.db2.gz QXSKWYSUELFTDL-CQSZACIVSA-N -1 3 396.473 0.342 20 0 GCADHM COC(=O)[C@@H](NCC(=O)NCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897545 598881518 /nfs/dbraw/zinc/88/15/18/598881518.db2.gz RRPCWUHLOUNOOH-KRWDZBQOSA-N -1 3 380.408 0.987 20 0 GCADHM COC(=O)[C@@H](NCC(=O)NCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897545 598881519 /nfs/dbraw/zinc/88/15/19/598881519.db2.gz RRPCWUHLOUNOOH-KRWDZBQOSA-N -1 3 380.408 0.987 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736910521 598881878 /nfs/dbraw/zinc/88/18/78/598881878.db2.gz WBHXOTOPEANTMV-CYBMUJFWSA-N -1 3 384.396 0.607 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736910521 598881879 /nfs/dbraw/zinc/88/18/79/598881879.db2.gz WBHXOTOPEANTMV-CYBMUJFWSA-N -1 3 384.396 0.607 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)O[C@@H]1CCOC1 ZINC000737825657 598881896 /nfs/dbraw/zinc/88/18/96/598881896.db2.gz NNDQBBUNMLWFBX-OLZOCXBDSA-N -1 3 386.368 0.404 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)O[C@@H]1CCOC1 ZINC000737825657 598881897 /nfs/dbraw/zinc/88/18/97/598881897.db2.gz NNDQBBUNMLWFBX-OLZOCXBDSA-N -1 3 386.368 0.404 20 0 GCADHM COC(=O)[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894158 598885912 /nfs/dbraw/zinc/88/59/12/598885912.db2.gz GCHDXUIUNIERCL-HUUCEWRRSA-N -1 3 396.411 0.209 20 0 GCADHM COC(=O)[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894158 598885913 /nfs/dbraw/zinc/88/59/13/598885913.db2.gz GCHDXUIUNIERCL-HUUCEWRRSA-N -1 3 396.411 0.209 20 0 GCADHM COCCN1C[C@@H](C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000737008390 598886806 /nfs/dbraw/zinc/88/68/06/598886806.db2.gz SRBAOCDMKJPDNB-JSGCOSHPSA-N -1 3 389.412 0.672 20 0 GCADHM COCCN1C[C@@H](C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000737008390 598886808 /nfs/dbraw/zinc/88/68/08/598886808.db2.gz SRBAOCDMKJPDNB-JSGCOSHPSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901241 598896908 /nfs/dbraw/zinc/89/69/08/598896908.db2.gz XEFPACRCPBJNHP-YGRLFVJLSA-N -1 3 394.409 0.449 20 0 GCADHM COC(=O)[C@@H](OC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901241 598896909 /nfs/dbraw/zinc/89/69/09/598896909.db2.gz XEFPACRCPBJNHP-YGRLFVJLSA-N -1 3 394.409 0.449 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1ccoc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897337 598897548 /nfs/dbraw/zinc/89/75/48/598897548.db2.gz FVOVHMMCQKGFMA-HNNXBMFYSA-N -1 3 399.363 0.955 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1ccoc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897337 598897549 /nfs/dbraw/zinc/89/75/49/598897549.db2.gz FVOVHMMCQKGFMA-HNNXBMFYSA-N -1 3 399.363 0.955 20 0 GCADHM COC(=O)[C@@H](OC(=O)Cc1nc2ncccn2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899008 598898401 /nfs/dbraw/zinc/89/84/01/598898401.db2.gz MADRZSHTLJRLRI-AWEZNQCLSA-N -1 3 394.351 0.304 20 0 GCADHM COC(=O)[C@@H](OC(=O)Cc1nc2ncccn2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899008 598898403 /nfs/dbraw/zinc/89/84/03/598898403.db2.gz MADRZSHTLJRLRI-AWEZNQCLSA-N -1 3 394.351 0.304 20 0 GCADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1)N1CCNC(=O)C1 ZINC000738303994 598901084 /nfs/dbraw/zinc/90/10/84/598901084.db2.gz UHZIJSHYFMFQDU-UHFFFAOYSA-N -1 3 395.448 0.979 20 0 GCADHM O=C(CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1)N1CCNC(=O)C1 ZINC000738303994 598901086 /nfs/dbraw/zinc/90/10/86/598901086.db2.gz UHZIJSHYFMFQDU-UHFFFAOYSA-N -1 3 395.448 0.979 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CSCN1C(C)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899888 598901337 /nfs/dbraw/zinc/90/13/37/598901337.db2.gz VZDHBRPZFOAIHL-CHWSQXEVSA-N -1 3 391.409 0.545 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CSCN1C(C)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899888 598901338 /nfs/dbraw/zinc/90/13/38/598901338.db2.gz VZDHBRPZFOAIHL-CHWSQXEVSA-N -1 3 391.409 0.545 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736282241 598908167 /nfs/dbraw/zinc/90/81/67/598908167.db2.gz WOFWEMDPWGNGAS-QMMMGPOBSA-N -1 3 398.832 0.104 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736282241 598908169 /nfs/dbraw/zinc/90/81/69/598908169.db2.gz WOFWEMDPWGNGAS-QMMMGPOBSA-N -1 3 398.832 0.104 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccnc(N2CCCCC2)n1 ZINC000737775025 598909665 /nfs/dbraw/zinc/90/96/65/598909665.db2.gz WCMIJBHAOVBTGC-UHFFFAOYSA-N -1 3 384.404 0.283 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccnc(N2CCCCC2)n1 ZINC000737775025 598909666 /nfs/dbraw/zinc/90/96/66/598909666.db2.gz WCMIJBHAOVBTGC-UHFFFAOYSA-N -1 3 384.404 0.283 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000822864628 599292799 /nfs/dbraw/zinc/29/27/99/599292799.db2.gz GTJJOMSXLFGKOO-SNVBAGLBSA-N -1 3 385.306 0.604 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737763676 598917369 /nfs/dbraw/zinc/91/73/69/598917369.db2.gz FQVDHRLAZLEIHY-SNVBAGLBSA-N -1 3 399.864 0.212 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737763676 598917371 /nfs/dbraw/zinc/91/73/71/598917371.db2.gz FQVDHRLAZLEIHY-SNVBAGLBSA-N -1 3 399.864 0.212 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000822864628 599292801 /nfs/dbraw/zinc/29/28/01/599292801.db2.gz GTJJOMSXLFGKOO-SNVBAGLBSA-N -1 3 385.306 0.604 20 0 GCADHM O=C(NCCOc1cccnc1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738086519 598920502 /nfs/dbraw/zinc/92/05/02/598920502.db2.gz ZUKASTUGLKMLBE-UHFFFAOYSA-N -1 3 395.427 0.567 20 0 GCADHM O=C(NCCOc1cccnc1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738086519 598920503 /nfs/dbraw/zinc/92/05/03/598920503.db2.gz ZUKASTUGLKMLBE-UHFFFAOYSA-N -1 3 395.427 0.567 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@](C)(O)c1ccccc1 ZINC000737058776 598924570 /nfs/dbraw/zinc/92/45/70/598924570.db2.gz ODUZFKPSBAQKMH-LJQANCHMSA-N -1 3 396.407 0.838 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)c1ccccc1 ZINC000737058776 598924571 /nfs/dbraw/zinc/92/45/71/598924571.db2.gz ODUZFKPSBAQKMH-LJQANCHMSA-N -1 3 396.407 0.838 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737765654 598926160 /nfs/dbraw/zinc/92/61/60/598926160.db2.gz VZMRZDISGGIOEK-CYBMUJFWSA-N -1 3 396.498 0.379 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737765654 598926161 /nfs/dbraw/zinc/92/61/61/598926161.db2.gz VZMRZDISGGIOEK-CYBMUJFWSA-N -1 3 396.498 0.379 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735875000 598927740 /nfs/dbraw/zinc/92/77/40/598927740.db2.gz JAYLRWFUAFPMRZ-HZPDHXFCSA-N -1 3 383.456 0.961 20 0 GCADHM COC(=O)CCN(C[C@H]1CCCO1)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736912932 598929536 /nfs/dbraw/zinc/92/95/36/598929536.db2.gz JAGRVJIMUKKACB-CYBMUJFWSA-N -1 3 389.412 0.816 20 0 GCADHM COC(=O)CCN(C[C@H]1CCCO1)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736912932 598929537 /nfs/dbraw/zinc/92/95/37/598929537.db2.gz JAGRVJIMUKKACB-CYBMUJFWSA-N -1 3 389.412 0.816 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)Cn1ccnc1 ZINC000736020048 598929197 /nfs/dbraw/zinc/92/91/97/598929197.db2.gz LIFLODIIWAFPPX-LBPRGKRZSA-N -1 3 392.427 0.897 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)Cn1ccnc1 ZINC000736020048 598929198 /nfs/dbraw/zinc/92/91/98/598929198.db2.gz LIFLODIIWAFPPX-LBPRGKRZSA-N -1 3 392.427 0.897 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736591583 598929588 /nfs/dbraw/zinc/92/95/88/598929588.db2.gz VYSADFYDPWOEQS-GFCCVEGCSA-N -1 3 389.412 0.551 20 0 GCADHM O=C(CCN1CCCC1=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737842967 598931505 /nfs/dbraw/zinc/93/15/05/598931505.db2.gz GDETVTJAHDDLEI-UHFFFAOYSA-N -1 3 383.456 0.964 20 0 GCADHM O=C(CCN1CCCC1=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737842967 598931506 /nfs/dbraw/zinc/93/15/06/598931506.db2.gz GDETVTJAHDDLEI-UHFFFAOYSA-N -1 3 383.456 0.964 20 0 GCADHM Cc1nc(NC(=O)CCCNC(=O)C2CC2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480272 598932646 /nfs/dbraw/zinc/93/26/46/598932646.db2.gz LAXGTYYMXQLXIB-UHFFFAOYSA-N -1 3 395.427 0.423 20 0 GCADHM COC(=O)CCN(C[C@H]1CCCO1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736912977 598934592 /nfs/dbraw/zinc/93/45/92/598934592.db2.gz LJOVAYFBPOXNRU-OAHLLOKOSA-N -1 3 388.428 0.849 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1nnc(C)c(=O)n1N ZINC000737031894 598938221 /nfs/dbraw/zinc/93/82/21/598938221.db2.gz HLEVXLNRKYMAIW-UHFFFAOYSA-N -1 3 376.402 0.020 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1nnc(C)c(=O)n1N ZINC000737031894 598938222 /nfs/dbraw/zinc/93/82/22/598938222.db2.gz HLEVXLNRKYMAIW-UHFFFAOYSA-N -1 3 376.402 0.020 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)C1 ZINC000738356526 598936881 /nfs/dbraw/zinc/93/68/81/598936881.db2.gz FDXSSHQAMNWLKG-LLVKDONJSA-N -1 3 383.865 0.224 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)C1 ZINC000738356526 598936882 /nfs/dbraw/zinc/93/68/82/598936882.db2.gz FDXSSHQAMNWLKG-LLVKDONJSA-N -1 3 383.865 0.224 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000737160690 598943889 /nfs/dbraw/zinc/94/38/89/598943889.db2.gz BOEXHBDQMRLABM-NWDGAFQWSA-N -1 3 379.442 0.718 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737160690 598943891 /nfs/dbraw/zinc/94/38/91/598943891.db2.gz BOEXHBDQMRLABM-NWDGAFQWSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000736182729 598944786 /nfs/dbraw/zinc/94/47/86/598944786.db2.gz PCELJIOZKZWSBY-VXGBXAGGSA-N -1 3 379.442 0.527 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000736182729 598944787 /nfs/dbraw/zinc/94/47/87/598944787.db2.gz PCELJIOZKZWSBY-VXGBXAGGSA-N -1 3 379.442 0.527 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736793494 598946137 /nfs/dbraw/zinc/94/61/37/598946137.db2.gz XFEFWWIPDGBCLF-ZDUSSCGKSA-N -1 3 395.510 0.993 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736793494 598946138 /nfs/dbraw/zinc/94/61/38/598946138.db2.gz XFEFWWIPDGBCLF-ZDUSSCGKSA-N -1 3 395.510 0.993 20 0 GCADHM COC(=O)CCN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCCO1 ZINC000736913340 598947211 /nfs/dbraw/zinc/94/72/11/598947211.db2.gz NGRSFBIBHSBBHV-HNNXBMFYSA-N -1 3 388.428 0.849 20 0 GCADHM COC(=O)CCN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCCO1 ZINC000736913340 598947212 /nfs/dbraw/zinc/94/72/12/598947212.db2.gz NGRSFBIBHSBBHV-HNNXBMFYSA-N -1 3 388.428 0.849 20 0 GCADHM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736472994 598948511 /nfs/dbraw/zinc/94/85/11/598948511.db2.gz VXDADOBLDXYADP-CYBMUJFWSA-N -1 3 399.498 0.763 20 0 GCADHM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736472994 598948512 /nfs/dbraw/zinc/94/85/12/598948512.db2.gz VXDADOBLDXYADP-CYBMUJFWSA-N -1 3 399.498 0.763 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC(C)(C)N1CCOCC1 ZINC000737299261 598949129 /nfs/dbraw/zinc/94/91/29/598949129.db2.gz WMIPHYDFHMXDRP-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC(C)(C)N1CCOCC1 ZINC000737299261 598949130 /nfs/dbraw/zinc/94/91/30/598949130.db2.gz WMIPHYDFHMXDRP-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736592291 598949381 /nfs/dbraw/zinc/94/93/81/598949381.db2.gz BXVFVSXSYHIPNJ-GFCCVEGCSA-N -1 3 397.482 0.844 20 0 GCADHM CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736592291 598949383 /nfs/dbraw/zinc/94/93/83/598949383.db2.gz BXVFVSXSYHIPNJ-GFCCVEGCSA-N -1 3 397.482 0.844 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000737297332 598949778 /nfs/dbraw/zinc/94/97/78/598949778.db2.gz VPKNNRITVKFZSR-CYBMUJFWSA-N -1 3 397.482 0.515 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000737297332 598949780 /nfs/dbraw/zinc/94/97/80/598949780.db2.gz VPKNNRITVKFZSR-CYBMUJFWSA-N -1 3 397.482 0.515 20 0 GCADHM CN1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736856721 598950105 /nfs/dbraw/zinc/95/01/05/598950105.db2.gz NOECZTJPHYSDDF-UHFFFAOYSA-N -1 3 382.380 0.953 20 0 GCADHM CN1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736856721 598950107 /nfs/dbraw/zinc/95/01/07/598950107.db2.gz NOECZTJPHYSDDF-UHFFFAOYSA-N -1 3 382.380 0.953 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000737220489 598950376 /nfs/dbraw/zinc/95/03/76/598950376.db2.gz DXTCKNPCYQXHPQ-CYBMUJFWSA-N -1 3 388.457 0.872 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000737220489 598950378 /nfs/dbraw/zinc/95/03/78/598950378.db2.gz DXTCKNPCYQXHPQ-CYBMUJFWSA-N -1 3 388.457 0.872 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000737296773 598950973 /nfs/dbraw/zinc/95/09/73/598950973.db2.gz OOXSFLRCORNJBZ-UHFFFAOYSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000737296773 598950974 /nfs/dbraw/zinc/95/09/74/598950974.db2.gz OOXSFLRCORNJBZ-UHFFFAOYSA-N -1 3 390.469 0.854 20 0 GCADHM COC(=O)N1CCC(NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000736936003 598952873 /nfs/dbraw/zinc/95/28/73/598952873.db2.gz MEYGSHFWNUBMQY-UHFFFAOYSA-N -1 3 380.430 0.684 20 0 GCADHM COC(=O)N1CCC(NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736936003 598952875 /nfs/dbraw/zinc/95/28/75/598952875.db2.gz MEYGSHFWNUBMQY-UHFFFAOYSA-N -1 3 380.430 0.684 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000737777285 598953398 /nfs/dbraw/zinc/95/33/98/598953398.db2.gz SOXSDYYHOOTORR-IUODEOHRSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1 ZINC000737777285 598953400 /nfs/dbraw/zinc/95/34/00/598953400.db2.gz SOXSDYYHOOTORR-IUODEOHRSA-N -1 3 382.428 0.916 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCCC[C@@H]1O ZINC000737928115 598955407 /nfs/dbraw/zinc/95/54/07/598955407.db2.gz DYEOFVLMGFJDCQ-GJZGRUSLSA-N -1 3 393.469 0.449 20 0 GCADHM COC(=O)N1CCC[C@@H](NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000736937498 598955850 /nfs/dbraw/zinc/95/58/50/598955850.db2.gz VUYXNIFAQBDMFS-GFCCVEGCSA-N -1 3 380.430 0.684 20 0 GCADHM COC(=O)N1CCC[C@@H](NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000736937498 598955852 /nfs/dbraw/zinc/95/58/52/598955852.db2.gz VUYXNIFAQBDMFS-GFCCVEGCSA-N -1 3 380.430 0.684 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(N2CCCC2=O)CC1 ZINC000737297092 598956715 /nfs/dbraw/zinc/95/67/15/598956715.db2.gz UCYBWOJBPZMYQC-UHFFFAOYSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(N2CCCC2=O)CC1 ZINC000737297092 598956716 /nfs/dbraw/zinc/95/67/16/598956716.db2.gz UCYBWOJBPZMYQC-UHFFFAOYSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000737300044 598956813 /nfs/dbraw/zinc/95/68/13/598956813.db2.gz VDKCEWSGCGYEDF-OLZOCXBDSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000737300044 598956815 /nfs/dbraw/zinc/95/68/15/598956815.db2.gz VDKCEWSGCGYEDF-OLZOCXBDSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000737300512 598957549 /nfs/dbraw/zinc/95/75/49/598957549.db2.gz ZSNYTIPYXFHWOZ-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC000737300512 598957553 /nfs/dbraw/zinc/95/75/53/598957553.db2.gz ZSNYTIPYXFHWOZ-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000736869147 598954334 /nfs/dbraw/zinc/95/43/34/598954334.db2.gz CALWQQYAXUDDEX-UHFFFAOYSA-N -1 3 378.458 0.758 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736869147 598954335 /nfs/dbraw/zinc/95/43/35/598954335.db2.gz CALWQQYAXUDDEX-UHFFFAOYSA-N -1 3 378.458 0.758 20 0 GCADHM NC(=O)COc1ccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737753784 598960346 /nfs/dbraw/zinc/96/03/46/598960346.db2.gz QVLVVZOVWFCVRK-INIZCTEOSA-N -1 3 393.407 0.948 20 0 GCADHM NC(=O)COc1ccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737753784 598960347 /nfs/dbraw/zinc/96/03/47/598960347.db2.gz QVLVVZOVWFCVRK-INIZCTEOSA-N -1 3 393.407 0.948 20 0 GCADHM C[C@@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736137005 598960610 /nfs/dbraw/zinc/96/06/10/598960610.db2.gz JMMDGZPDZIIMPQ-LLVKDONJSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736137005 598960611 /nfs/dbraw/zinc/96/06/11/598960611.db2.gz JMMDGZPDZIIMPQ-LLVKDONJSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCCO1 ZINC000736150584 598963869 /nfs/dbraw/zinc/96/38/69/598963869.db2.gz JUXHHEMDDXWBBB-RWMBFGLXSA-N -1 3 389.412 0.861 20 0 GCADHM C[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CCCO1 ZINC000736150584 598963870 /nfs/dbraw/zinc/96/38/70/598963870.db2.gz JUXHHEMDDXWBBB-RWMBFGLXSA-N -1 3 389.412 0.861 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821333833 607255704 /nfs/dbraw/zinc/25/57/04/607255704.db2.gz ARJMKWSRERBRIR-UHFFFAOYSA-N -1 3 395.445 0.606 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821333833 607255705 /nfs/dbraw/zinc/25/57/05/607255705.db2.gz ARJMKWSRERBRIR-UHFFFAOYSA-N -1 3 395.445 0.606 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736746663 598968678 /nfs/dbraw/zinc/96/86/78/598968678.db2.gz NFCWVFURQCFELW-OCCSQVGLSA-N -1 3 385.428 0.568 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736746663 598968679 /nfs/dbraw/zinc/96/86/79/598968679.db2.gz NFCWVFURQCFELW-OCCSQVGLSA-N -1 3 385.428 0.568 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)CC2 ZINC000736705795 598970246 /nfs/dbraw/zinc/97/02/46/598970246.db2.gz NXRCYXRWVOGLSF-VXGBXAGGSA-N -1 3 382.428 0.919 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)CC2 ZINC000736705795 598970248 /nfs/dbraw/zinc/97/02/48/598970248.db2.gz NXRCYXRWVOGLSF-VXGBXAGGSA-N -1 3 382.428 0.919 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736706718 598970421 /nfs/dbraw/zinc/97/04/21/598970421.db2.gz VMTZDBANHIHEOE-DGCLKSJQSA-N -1 3 382.428 0.919 20 0 GCADHM COC[C@@]1(C)NC(=O)N(CCOc2ccc(-c3nnn[n-]3)cc2OC)C1=O ZINC000736977320 598979366 /nfs/dbraw/zinc/97/93/66/598979366.db2.gz KOULYPIORGOHGA-MRXNPFEDSA-N -1 3 376.373 0.211 20 0 GCADHM COC[C@@]1(C)NC(=O)N(CCOc2ccc(-c3nn[n-]n3)cc2OC)C1=O ZINC000736977320 598979368 /nfs/dbraw/zinc/97/93/68/598979368.db2.gz KOULYPIORGOHGA-MRXNPFEDSA-N -1 3 376.373 0.211 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738052675 598982231 /nfs/dbraw/zinc/98/22/31/598982231.db2.gz VITFWXWCQVDULL-INIZCTEOSA-N -1 3 379.424 0.893 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCO[C@H](Cn2cncn2)C1 ZINC000737032187 598985843 /nfs/dbraw/zinc/98/58/43/598985843.db2.gz JBWYQEDDIIRQBK-AWEZNQCLSA-N -1 3 386.416 0.247 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(Cc2nccn2C)CC1 ZINC000737031332 598986134 /nfs/dbraw/zinc/98/61/34/598986134.db2.gz GBHRGLHHIHAJTB-UHFFFAOYSA-N -1 3 398.471 0.805 20 0 GCADHM CN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C[C@@H]1CCS(=O)(=O)C1 ZINC000736787726 598993925 /nfs/dbraw/zinc/99/39/25/598993925.db2.gz MUGXPQTXTMHRKR-JTQLQIEISA-N -1 3 398.876 0.825 20 0 GCADHM CN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C[C@@H]1CCS(=O)(=O)C1 ZINC000736787726 598993926 /nfs/dbraw/zinc/99/39/26/598993926.db2.gz MUGXPQTXTMHRKR-JTQLQIEISA-N -1 3 398.876 0.825 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000736600823 598994416 /nfs/dbraw/zinc/99/44/16/598994416.db2.gz OKHFHBSSBIHMGB-UHFFFAOYSA-N -1 3 380.430 0.638 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000736600823 598994417 /nfs/dbraw/zinc/99/44/17/598994417.db2.gz OKHFHBSSBIHMGB-UHFFFAOYSA-N -1 3 380.430 0.638 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000737224418 598998154 /nfs/dbraw/zinc/99/81/54/598998154.db2.gz UZOSLIOPPDHHGD-KBPBESRZSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000737224418 598998155 /nfs/dbraw/zinc/99/81/55/598998155.db2.gz UZOSLIOPPDHHGD-KBPBESRZSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(c2cnccn2)CC1 ZINC000737223305 598998169 /nfs/dbraw/zinc/99/81/69/598998169.db2.gz FFRIQPUANCAKDT-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(c2cnccn2)CC1 ZINC000737223305 598998170 /nfs/dbraw/zinc/99/81/70/598998170.db2.gz FFRIQPUANCAKDT-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000737224716 599000822 /nfs/dbraw/zinc/00/08/22/599000822.db2.gz ZQGDTGGKOJJNLN-AWEZNQCLSA-N -1 3 386.437 0.550 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000737224716 599000824 /nfs/dbraw/zinc/00/08/24/599000824.db2.gz ZQGDTGGKOJJNLN-AWEZNQCLSA-N -1 3 386.437 0.550 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000737223277 599001833 /nfs/dbraw/zinc/00/18/33/599001833.db2.gz DJPBDFUKEPAXTM-QGZVFWFLSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000737223277 599001834 /nfs/dbraw/zinc/00/18/34/599001834.db2.gz DJPBDFUKEPAXTM-QGZVFWFLSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000737223276 599001997 /nfs/dbraw/zinc/00/19/97/599001997.db2.gz DJPBDFUKEPAXTM-KRWDZBQOSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000737223276 599001998 /nfs/dbraw/zinc/00/19/98/599001998.db2.gz DJPBDFUKEPAXTM-KRWDZBQOSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000737224339 599002478 /nfs/dbraw/zinc/00/24/78/599002478.db2.gz RNFXRZKLDWTDLZ-LLVKDONJSA-N -1 3 390.425 0.751 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000737224339 599002481 /nfs/dbraw/zinc/00/24/81/599002481.db2.gz RNFXRZKLDWTDLZ-LLVKDONJSA-N -1 3 390.425 0.751 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736656265 599004562 /nfs/dbraw/zinc/00/45/62/599004562.db2.gz JHQGSUVYMDHHKW-NSHDSACASA-N -1 3 387.487 0.619 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736656265 599004564 /nfs/dbraw/zinc/00/45/64/599004564.db2.gz JHQGSUVYMDHHKW-NSHDSACASA-N -1 3 387.487 0.619 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000736623357 599004652 /nfs/dbraw/zinc/00/46/52/599004652.db2.gz FHTWHMMJVIMNND-UHFFFAOYSA-N -1 3 380.474 0.518 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000736623357 599004654 /nfs/dbraw/zinc/00/46/54/599004654.db2.gz FHTWHMMJVIMNND-UHFFFAOYSA-N -1 3 380.474 0.518 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCc1cccc(C(N)=O)c1 ZINC000737225797 599004716 /nfs/dbraw/zinc/00/47/16/599004716.db2.gz RVYZFHPLHFHMHY-UHFFFAOYSA-N -1 3 386.437 0.795 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCc1cccc(C(N)=O)c1 ZINC000737225797 599004718 /nfs/dbraw/zinc/00/47/18/599004718.db2.gz RVYZFHPLHFHMHY-UHFFFAOYSA-N -1 3 386.437 0.795 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CCN1CCOC ZINC000736408875 599006227 /nfs/dbraw/zinc/00/62/27/599006227.db2.gz VYUTWJQOTSMZQP-OAHLLOKOSA-N -1 3 394.501 0.906 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CCN1CCOC ZINC000736408875 599006229 /nfs/dbraw/zinc/00/62/29/599006229.db2.gz VYUTWJQOTSMZQP-OAHLLOKOSA-N -1 3 394.501 0.906 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](C)CN1CCOCC1 ZINC000737224454 599007144 /nfs/dbraw/zinc/00/71/44/599007144.db2.gz VXSNKJUGHPHWOS-LBPRGKRZSA-N -1 3 380.474 0.422 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](C)CN1CCOCC1 ZINC000737224454 599007145 /nfs/dbraw/zinc/00/71/45/599007145.db2.gz VXSNKJUGHPHWOS-LBPRGKRZSA-N -1 3 380.474 0.422 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000737224627 599007424 /nfs/dbraw/zinc/00/74/24/599007424.db2.gz YICSBHWWJXTMCA-GHMZBOCLSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000737224627 599007426 /nfs/dbraw/zinc/00/74/26/599007426.db2.gz YICSBHWWJXTMCA-GHMZBOCLSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCOC[C@@H]1CCOC1 ZINC000737298455 599008702 /nfs/dbraw/zinc/00/87/02/599008702.db2.gz PDDUFEXEBVIJGT-ZDUSSCGKSA-N -1 3 381.458 0.897 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCOC[C@@H]1CCOC1 ZINC000737298455 599008704 /nfs/dbraw/zinc/00/87/04/599008704.db2.gz PDDUFEXEBVIJGT-ZDUSSCGKSA-N -1 3 381.458 0.897 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737201017 599010140 /nfs/dbraw/zinc/01/01/40/599010140.db2.gz ALPNYMHDVNQLEY-UHFFFAOYSA-N -1 3 382.428 0.767 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737161445 599010217 /nfs/dbraw/zinc/01/02/17/599010217.db2.gz KCEMUYRZAWOBEO-AAEUAGOBSA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737161445 599010219 /nfs/dbraw/zinc/01/02/19/599010219.db2.gz KCEMUYRZAWOBEO-AAEUAGOBSA-N -1 3 385.471 0.501 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737200999 599010576 /nfs/dbraw/zinc/01/05/76/599010576.db2.gz ABMXKOVNGDLSTH-UHFFFAOYSA-N -1 3 382.428 0.767 20 0 GCADHM CC(C)(C)N1C[C@@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000735617820 599014855 /nfs/dbraw/zinc/01/48/55/599014855.db2.gz ARRZPPWCZKVCMN-JSGCOSHPSA-N -1 3 386.412 0.583 20 0 GCADHM CC(C)(C)N1C[C@@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735617820 599014857 /nfs/dbraw/zinc/01/48/57/599014857.db2.gz ARRZPPWCZKVCMN-JSGCOSHPSA-N -1 3 386.412 0.583 20 0 GCADHM CCOC(=O)C1(CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC000736589819 599012822 /nfs/dbraw/zinc/01/28/22/599012822.db2.gz BIHNXSXCRCUGNL-UHFFFAOYSA-N -1 3 388.432 0.706 20 0 GCADHM CCOC(=O)C1(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC000736589819 599012824 /nfs/dbraw/zinc/01/28/24/599012824.db2.gz BIHNXSXCRCUGNL-UHFFFAOYSA-N -1 3 388.432 0.706 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCS(=O)(=O)Cc1nc(C)no1 ZINC000737033228 599020078 /nfs/dbraw/zinc/02/00/78/599020078.db2.gz UMFXLUVUWNBOHC-UHFFFAOYSA-N -1 3 380.386 0.561 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCS(=O)(=O)Cc1nc(C)no1 ZINC000737033228 599020080 /nfs/dbraw/zinc/02/00/80/599020080.db2.gz UMFXLUVUWNBOHC-UHFFFAOYSA-N -1 3 380.386 0.561 20 0 GCADHM C[C@@H](O)C[C@H](C)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736144103 599023700 /nfs/dbraw/zinc/02/37/00/599023700.db2.gz NHYJHMFREWPHHF-QWHCGFSZSA-N -1 3 388.476 0.937 20 0 GCADHM C[C@@H](O)C[C@H](C)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736144103 599023701 /nfs/dbraw/zinc/02/37/01/599023701.db2.gz NHYJHMFREWPHHF-QWHCGFSZSA-N -1 3 388.476 0.937 20 0 GCADHM COC(=O)[C@H](C)CS(=O)(=O)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736892880 599024355 /nfs/dbraw/zinc/02/43/55/599024355.db2.gz PNVIQFBWIQRKFJ-SNVBAGLBSA-N -1 3 384.414 0.478 20 0 GCADHM COC(=O)[C@H](C)CS(=O)(=O)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736892880 599024357 /nfs/dbraw/zinc/02/43/57/599024357.db2.gz PNVIQFBWIQRKFJ-SNVBAGLBSA-N -1 3 384.414 0.478 20 0 GCADHM C[C@@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736144082 599025087 /nfs/dbraw/zinc/02/50/87/599025087.db2.gz MXWZJGDJFHBFNF-RKDXNWHRSA-N -1 3 398.370 0.930 20 0 GCADHM C[C@@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736144082 599025089 /nfs/dbraw/zinc/02/50/89/599025089.db2.gz MXWZJGDJFHBFNF-RKDXNWHRSA-N -1 3 398.370 0.930 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](C)C[C@H](C)O ZINC000736637231 599025698 /nfs/dbraw/zinc/02/56/98/599025698.db2.gz UJZGPLRZNVHBSS-MNOVXSKESA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](C)C[C@H](C)O ZINC000736637231 599025700 /nfs/dbraw/zinc/02/57/00/599025700.db2.gz UJZGPLRZNVHBSS-MNOVXSKESA-N -1 3 376.417 0.727 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737163120 599039256 /nfs/dbraw/zinc/03/92/56/599039256.db2.gz SRZLUQRGKUHBAF-UHFFFAOYSA-N -1 3 391.413 0.125 20 0 GCADHM CCNC(=O)CN1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736575269 599040731 /nfs/dbraw/zinc/04/07/31/599040731.db2.gz DXQSJKLUGZDJOK-UHFFFAOYSA-N -1 3 384.366 0.539 20 0 GCADHM CCNC(=O)CN1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736575269 599040733 /nfs/dbraw/zinc/04/07/33/599040733.db2.gz DXQSJKLUGZDJOK-UHFFFAOYSA-N -1 3 384.366 0.539 20 0 GCADHM CCOC(=O)[C@@H]1CN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)CCO1 ZINC000736594909 599043384 /nfs/dbraw/zinc/04/33/84/599043384.db2.gz UEYIZYODPNBPDW-INIZCTEOSA-N -1 3 383.412 0.952 20 0 GCADHM CCOC(=O)[C@@H]1CN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)CCO1 ZINC000736594909 599043387 /nfs/dbraw/zinc/04/33/87/599043387.db2.gz UEYIZYODPNBPDW-INIZCTEOSA-N -1 3 383.412 0.952 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737164836 599044714 /nfs/dbraw/zinc/04/47/14/599044714.db2.gz CDSLJHDKHYXVOX-QMMMGPOBSA-N -1 3 391.379 0.799 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737164836 599044717 /nfs/dbraw/zinc/04/47/17/599044717.db2.gz CDSLJHDKHYXVOX-QMMMGPOBSA-N -1 3 391.379 0.799 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCCC3(CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822895845 599044721 /nfs/dbraw/zinc/04/47/21/599044721.db2.gz ZFMRENYIGPEHBO-UHFFFAOYSA-N -1 3 378.458 0.911 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCCC3(CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822895845 599044724 /nfs/dbraw/zinc/04/47/24/599044724.db2.gz ZFMRENYIGPEHBO-UHFFFAOYSA-N -1 3 378.458 0.911 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737164835 599044957 /nfs/dbraw/zinc/04/49/57/599044957.db2.gz CDSLJHDKHYXVOX-MRVPVSSYSA-N -1 3 391.379 0.799 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737164835 599044960 /nfs/dbraw/zinc/04/49/60/599044960.db2.gz CDSLJHDKHYXVOX-MRVPVSSYSA-N -1 3 391.379 0.799 20 0 GCADHM CCOC(=O)[C@H]1CN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000736592879 599047966 /nfs/dbraw/zinc/04/79/66/599047966.db2.gz FGIAYRYYNVAGLU-LSDHHAIUSA-N -1 3 386.412 0.236 20 0 GCADHM CCOC(=O)[C@H]1CN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000736592879 599047969 /nfs/dbraw/zinc/04/79/69/599047969.db2.gz FGIAYRYYNVAGLU-LSDHHAIUSA-N -1 3 386.412 0.236 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN([C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736612335 599048348 /nfs/dbraw/zinc/04/83/48/599048348.db2.gz NZOWSBYKEYWRDY-OAGGEKHMSA-N -1 3 386.456 0.645 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)[C@@H]2CCO[C@H]21 ZINC000736208581 599054573 /nfs/dbraw/zinc/05/45/73/599054573.db2.gz YVPFPTAUKNLKJQ-NWANDNLSSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)[C@@H]2CCO[C@H]21 ZINC000736208581 599054576 /nfs/dbraw/zinc/05/45/76/599054576.db2.gz YVPFPTAUKNLKJQ-NWANDNLSSA-N -1 3 398.471 0.907 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CCO1 ZINC000736592259 599058267 /nfs/dbraw/zinc/05/82/67/599058267.db2.gz BMYZHHDSCZAQED-CYBMUJFWSA-N -1 3 376.373 0.671 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CCO1 ZINC000736592259 599058270 /nfs/dbraw/zinc/05/82/70/599058270.db2.gz BMYZHHDSCZAQED-CYBMUJFWSA-N -1 3 376.373 0.671 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)c1ccc(C)o1 ZINC000737058615 599061903 /nfs/dbraw/zinc/06/19/03/599061903.db2.gz NNBPZVDVCNRTEH-LBPRGKRZSA-N -1 3 386.368 0.565 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)c1ccc(C)o1 ZINC000737058615 599061908 /nfs/dbraw/zinc/06/19/08/599061908.db2.gz NNBPZVDVCNRTEH-LBPRGKRZSA-N -1 3 386.368 0.565 20 0 GCADHM CC(C)(C)CC(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735594627 599067382 /nfs/dbraw/zinc/06/73/82/599067382.db2.gz VDYBHAWITYOOJT-INIZCTEOSA-N -1 3 385.472 0.974 20 0 GCADHM CC(C)(C)CC(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735594627 599067384 /nfs/dbraw/zinc/06/73/84/599067384.db2.gz VDYBHAWITYOOJT-INIZCTEOSA-N -1 3 385.472 0.974 20 0 GCADHM CC(C)N(C)C(=O)C1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735857519 599067414 /nfs/dbraw/zinc/06/74/14/599067414.db2.gz TXXYYJFHIWDXPW-MRXNPFEDSA-N -1 3 385.472 0.972 20 0 GCADHM Cc1csc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737451911 599067813 /nfs/dbraw/zinc/06/78/13/599067813.db2.gz GBIBWNIKIXLEMN-AWEZNQCLSA-N -1 3 384.469 0.980 20 0 GCADHM Cc1csc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737451911 599067816 /nfs/dbraw/zinc/06/78/16/599067816.db2.gz GBIBWNIKIXLEMN-AWEZNQCLSA-N -1 3 384.469 0.980 20 0 GCADHM Cc1cc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)on1 ZINC000737262532 599068162 /nfs/dbraw/zinc/06/81/62/599068162.db2.gz MJRCFGKOMPRDNJ-MRXNPFEDSA-N -1 3 382.428 0.507 20 0 GCADHM Cc1cc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)on1 ZINC000737262532 599068165 /nfs/dbraw/zinc/06/81/65/599068165.db2.gz MJRCFGKOMPRDNJ-MRXNPFEDSA-N -1 3 382.428 0.507 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000737740396 599068746 /nfs/dbraw/zinc/06/87/46/599068746.db2.gz TUADCYPTFMBYCU-INIZCTEOSA-N -1 3 398.471 0.617 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000737740396 599068749 /nfs/dbraw/zinc/06/87/49/599068749.db2.gz TUADCYPTFMBYCU-INIZCTEOSA-N -1 3 398.471 0.617 20 0 GCADHM Cn1cccc1C(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737614729 599071320 /nfs/dbraw/zinc/07/13/20/599071320.db2.gz YTFNSFQHGMRKIJ-INIZCTEOSA-N -1 3 394.439 0.190 20 0 GCADHM Cn1cccc1C(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737614729 599071321 /nfs/dbraw/zinc/07/13/21/599071321.db2.gz YTFNSFQHGMRKIJ-INIZCTEOSA-N -1 3 394.439 0.190 20 0 GCADHM CCOC(=O)N(C)C1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736599571 599071703 /nfs/dbraw/zinc/07/17/03/599071703.db2.gz OTDCSYQNDYBLNO-HNNXBMFYSA-N -1 3 387.444 0.946 20 0 GCADHM COc1ccnc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737160097 599074484 /nfs/dbraw/zinc/07/44/84/599074484.db2.gz RQUHTYKESFFOIG-KRWDZBQOSA-N -1 3 394.439 0.619 20 0 GCADHM CCn1ccnc1CN1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736722320 599075119 /nfs/dbraw/zinc/07/51/19/599075119.db2.gz KOHSMCXQHWWHHP-QGZVFWFLSA-N -1 3 395.471 0.427 20 0 GCADHM CCn1ccnc1CN1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736722320 599075122 /nfs/dbraw/zinc/07/51/22/599075122.db2.gz KOHSMCXQHWWHHP-QGZVFWFLSA-N -1 3 395.471 0.427 20 0 GCADHM Cc1noc([C@H](C)N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737534524 599076046 /nfs/dbraw/zinc/07/60/46/599076046.db2.gz PATKUMGDESNZNE-NHYWBVRUSA-N -1 3 397.443 0.463 20 0 GCADHM Cc1noc([C@H](C)N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737534524 599076049 /nfs/dbraw/zinc/07/60/49/599076049.db2.gz PATKUMGDESNZNE-NHYWBVRUSA-N -1 3 397.443 0.463 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000737746074 599078580 /nfs/dbraw/zinc/07/85/80/599078580.db2.gz ZPQSQWKOJGFXIH-DOTOQJQBSA-N -1 3 383.456 0.870 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000737746074 599078583 /nfs/dbraw/zinc/07/85/83/599078583.db2.gz ZPQSQWKOJGFXIH-DOTOQJQBSA-N -1 3 383.456 0.870 20 0 GCADHM O=C(CN1CCC[C@H](OCCO)C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737875685 599079115 /nfs/dbraw/zinc/07/91/15/599079115.db2.gz LITDMHUUYKRJSO-LBPRGKRZSA-N -1 3 380.836 0.932 20 0 GCADHM O=C(CN1CCC[C@H](OCCO)C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737875685 599079118 /nfs/dbraw/zinc/07/91/18/599079118.db2.gz LITDMHUUYKRJSO-LBPRGKRZSA-N -1 3 380.836 0.932 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737610323 599087672 /nfs/dbraw/zinc/08/76/72/599087672.db2.gz NEXKIRFIHVPNME-OAHLLOKOSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737610323 599087675 /nfs/dbraw/zinc/08/76/75/599087675.db2.gz NEXKIRFIHVPNME-OAHLLOKOSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737609071 599087833 /nfs/dbraw/zinc/08/78/33/599087833.db2.gz AWABPHNEACQFHX-OAHLLOKOSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737610322 599088036 /nfs/dbraw/zinc/08/80/36/599088036.db2.gz NEXKIRFIHVPNME-HNNXBMFYSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737610322 599088039 /nfs/dbraw/zinc/08/80/39/599088039.db2.gz NEXKIRFIHVPNME-HNNXBMFYSA-N -1 3 380.412 0.455 20 0 GCADHM CN(C)C(=O)c1ccc(CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736753158 599089171 /nfs/dbraw/zinc/08/91/71/599089171.db2.gz HORZYXNYYTZCLS-MRXNPFEDSA-N -1 3 379.424 0.885 20 0 GCADHM CN(C)C(=O)c1ccc(CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736753158 599089176 /nfs/dbraw/zinc/08/91/76/599089176.db2.gz HORZYXNYYTZCLS-MRXNPFEDSA-N -1 3 379.424 0.885 20 0 GCADHM CS(=O)(=O)Nc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737169307 599089441 /nfs/dbraw/zinc/08/94/41/599089441.db2.gz RWNVXMCKUVZIIS-CQSZACIVSA-N -1 3 387.425 0.877 20 0 GCADHM CS(=O)(=O)Nc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737169307 599089444 /nfs/dbraw/zinc/08/94/44/599089444.db2.gz RWNVXMCKUVZIIS-CQSZACIVSA-N -1 3 387.425 0.877 20 0 GCADHM COCCOc1ccc(CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737015449 599091883 /nfs/dbraw/zinc/09/18/83/599091883.db2.gz POPHQHIHBAALML-INIZCTEOSA-N -1 3 383.412 0.603 20 0 GCADHM COCCOc1ccc(CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737015449 599091886 /nfs/dbraw/zinc/09/18/86/599091886.db2.gz POPHQHIHBAALML-INIZCTEOSA-N -1 3 383.412 0.603 20 0 GCADHM NC(=O)[C@@H](NCc1ccccc1Cn1cncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736632 599092223 /nfs/dbraw/zinc/09/22/23/599092223.db2.gz KBYDKYUTUMBYJX-KRWDZBQOSA-N -1 3 389.423 0.823 20 0 GCADHM C[C@H](N[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1 ZINC000736123818 599093829 /nfs/dbraw/zinc/09/38/29/599093829.db2.gz DYWNWTBLNDVHLJ-BLLLJJGKSA-N -1 3 379.424 0.688 20 0 GCADHM C[C@H](N[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1 ZINC000736123818 599093832 /nfs/dbraw/zinc/09/38/32/599093832.db2.gz DYWNWTBLNDVHLJ-BLLLJJGKSA-N -1 3 379.424 0.688 20 0 GCADHM COc1ccc(C(=O)NCCN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737067823 599094069 /nfs/dbraw/zinc/09/40/69/599094069.db2.gz NWYCNXPFOVSRSA-MRXNPFEDSA-N -1 3 395.423 0.421 20 0 GCADHM COc1ccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)cc1-n1cnnn1 ZINC000737101627 599094131 /nfs/dbraw/zinc/09/41/31/599094131.db2.gz GSSDXUHBEKEJQL-UHFFFAOYSA-N -1 3 393.367 0.869 20 0 GCADHM COc1ccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)cc1-n1cnnn1 ZINC000737101627 599094133 /nfs/dbraw/zinc/09/41/33/599094133.db2.gz GSSDXUHBEKEJQL-UHFFFAOYSA-N -1 3 393.367 0.869 20 0 GCADHM Cn1c2ccc(N[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cc2n(C)c1=O ZINC000737591571 599095551 /nfs/dbraw/zinc/09/55/51/599095551.db2.gz VFPBVTJMJZMLQL-HNNXBMFYSA-N -1 3 378.396 0.696 20 0 GCADHM Cn1c2ccc(N[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cc2n(C)c1=O ZINC000737591571 599095554 /nfs/dbraw/zinc/09/55/54/599095554.db2.gz VFPBVTJMJZMLQL-HNNXBMFYSA-N -1 3 378.396 0.696 20 0 GCADHM NC(=O)[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737734792 599098859 /nfs/dbraw/zinc/09/88/59/599098859.db2.gz BJEXVSGMJAICCB-HNNXBMFYSA-N -1 3 376.384 0.159 20 0 GCADHM NC(=O)[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737734792 599098860 /nfs/dbraw/zinc/09/88/60/599098860.db2.gz BJEXVSGMJAICCB-HNNXBMFYSA-N -1 3 376.384 0.159 20 0 GCADHM Cc1ccc(C(=O)NCCN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737313278 599099458 /nfs/dbraw/zinc/09/94/58/599099458.db2.gz SWKJMVFRWVMKHT-MRXNPFEDSA-N -1 3 379.424 0.721 20 0 GCADHM CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736461748 599099665 /nfs/dbraw/zinc/09/96/65/599099665.db2.gz TVRRATBGXJWOJB-UHFFFAOYSA-N -1 3 393.473 0.683 20 0 GCADHM CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736461748 599099668 /nfs/dbraw/zinc/09/96/68/599099668.db2.gz TVRRATBGXJWOJB-UHFFFAOYSA-N -1 3 393.473 0.683 20 0 GCADHM NC(=O)[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729695 599100512 /nfs/dbraw/zinc/10/05/12/599100512.db2.gz BSBJNVAVEFYYIK-GDBMZVCRSA-N -1 3 395.398 0.927 20 0 GCADHM NC(=O)[C@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729695 599100514 /nfs/dbraw/zinc/10/05/14/599100514.db2.gz BSBJNVAVEFYYIK-GDBMZVCRSA-N -1 3 395.398 0.927 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737611275 599106401 /nfs/dbraw/zinc/10/64/01/599106401.db2.gz UIVPSGPUEMMSPH-HNNXBMFYSA-N -1 3 395.427 0.324 20 0 GCADHM Cn1cnc2c1c(=O)n(CCCSc1ccccc1-c1nnn[n-]1)c(=O)n2C ZINC000737619077 599110120 /nfs/dbraw/zinc/11/01/20/599110120.db2.gz QTKKQFKGSVLMRI-UHFFFAOYSA-N -1 3 398.452 0.796 20 0 GCADHM Cn1cnc2c1c(=O)n(CCCSc1ccccc1-c1nn[n-]n1)c(=O)n2C ZINC000737619077 599110122 /nfs/dbraw/zinc/11/01/22/599110122.db2.gz QTKKQFKGSVLMRI-UHFFFAOYSA-N -1 3 398.452 0.796 20 0 GCADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000736193318 599109330 /nfs/dbraw/zinc/10/93/30/599109330.db2.gz RQEJHENLFISBKZ-MRVPVSSYSA-N -1 3 387.425 0.210 20 0 GCADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000736193318 599109334 /nfs/dbraw/zinc/10/93/34/599109334.db2.gz RQEJHENLFISBKZ-MRVPVSSYSA-N -1 3 387.425 0.210 20 0 GCADHM C[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737196601 599109356 /nfs/dbraw/zinc/10/93/56/599109356.db2.gz SVYPKVRVPIGWBD-NHYWBVRUSA-N -1 3 394.391 0.755 20 0 GCADHM C[C@H](NC(=O)c1ccccc1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737196601 599109358 /nfs/dbraw/zinc/10/93/58/599109358.db2.gz SVYPKVRVPIGWBD-NHYWBVRUSA-N -1 3 394.391 0.755 20 0 GCADHM C[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737196596 599109417 /nfs/dbraw/zinc/10/94/17/599109417.db2.gz SPKJFSZZXMQOCE-TVQRCGJNSA-N -1 3 384.352 0.348 20 0 GCADHM C[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737196596 599109420 /nfs/dbraw/zinc/10/94/20/599109420.db2.gz SPKJFSZZXMQOCE-TVQRCGJNSA-N -1 3 384.352 0.348 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2cccn2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739169 599119837 /nfs/dbraw/zinc/11/98/37/599119837.db2.gz IYLUMSOVBPDDDQ-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2cccn2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739169 599119840 /nfs/dbraw/zinc/11/98/40/599119840.db2.gz IYLUMSOVBPDDDQ-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)c1ccccc1OCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737761234 599119894 /nfs/dbraw/zinc/11/98/94/599119894.db2.gz RKWOADJSLHWELJ-HNNXBMFYSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)c1ccccc1OCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737761234 599119897 /nfs/dbraw/zinc/11/98/97/599119897.db2.gz RKWOADJSLHWELJ-HNNXBMFYSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cc2c([nH]c1=O)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743095 599121655 /nfs/dbraw/zinc/12/16/55/599121655.db2.gz SVFXRLBTDGJYGH-AWEZNQCLSA-N -1 3 380.364 0.839 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cc2c([nH]c1=O)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743095 599121657 /nfs/dbraw/zinc/12/16/57/599121657.db2.gz SVFXRLBTDGJYGH-AWEZNQCLSA-N -1 3 380.364 0.839 20 0 GCADHM COCCOc1ncccc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737014480 599122956 /nfs/dbraw/zinc/12/29/56/599122956.db2.gz QINSXZNBDORVPK-AWEZNQCLSA-N -1 3 398.379 0.670 20 0 GCADHM COCCOc1ncccc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737014480 599122958 /nfs/dbraw/zinc/12/29/58/599122958.db2.gz QINSXZNBDORVPK-AWEZNQCLSA-N -1 3 398.379 0.670 20 0 GCADHM CCc1noc(CCCC(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736714317 599123223 /nfs/dbraw/zinc/12/32/23/599123223.db2.gz XBJCJSVQIMJGOZ-OAHLLOKOSA-N -1 3 385.384 0.905 20 0 GCADHM CCc1noc(CCCC(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736714317 599123225 /nfs/dbraw/zinc/12/32/25/599123225.db2.gz XBJCJSVQIMJGOZ-OAHLLOKOSA-N -1 3 385.384 0.905 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737744025 599128606 /nfs/dbraw/zinc/12/86/06/599128606.db2.gz UELBTMRXEHDPMO-ZDUSSCGKSA-N -1 3 392.331 0.134 20 0 GCADHM CCCn1c(CO)nnc1SCc1cc(=O)n2ncc(-c3nnn[n-]3)c2[nH]1 ZINC000821142422 607258774 /nfs/dbraw/zinc/25/87/74/607258774.db2.gz JBYNNTSIGMTBEE-UHFFFAOYSA-N -1 3 388.417 0.401 20 0 GCADHM CCCCc1nnc(SCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1N ZINC000821082429 599131100 /nfs/dbraw/zinc/13/11/00/599131100.db2.gz KPIQXSDUCKJFHR-UHFFFAOYSA-N -1 3 387.473 0.923 20 0 GCADHM CCCCc1nnc(SCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1N ZINC000821082429 599131101 /nfs/dbraw/zinc/13/11/01/599131101.db2.gz KPIQXSDUCKJFHR-UHFFFAOYSA-N -1 3 387.473 0.923 20 0 GCADHM COCCc1nnc(SCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1N ZINC000821694713 599132922 /nfs/dbraw/zinc/13/29/22/599132922.db2.gz ZFVLYIDKQHDGNS-UHFFFAOYSA-N -1 3 375.418 0.092 20 0 GCADHM COCCc1nnc(SCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1N ZINC000821694713 599132924 /nfs/dbraw/zinc/13/29/24/599132924.db2.gz ZFVLYIDKQHDGNS-UHFFFAOYSA-N -1 3 375.418 0.092 20 0 GCADHM CC(C)n1ccc(CC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000820215420 599136705 /nfs/dbraw/zinc/13/67/05/599136705.db2.gz UUHHZEBQKQCKFL-UHFFFAOYSA-N -1 3 381.444 0.930 20 0 GCADHM CC(C)n1ccc(CC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000820215420 599136707 /nfs/dbraw/zinc/13/67/07/599136707.db2.gz UUHHZEBQKQCKFL-UHFFFAOYSA-N -1 3 381.444 0.930 20 0 GCADHM O=C([C@H]1CCc2c[nH]nc2C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822916863 599138366 /nfs/dbraw/zinc/13/83/66/599138366.db2.gz GPWBZOJJPOHHRK-ZDUSSCGKSA-N -1 3 379.428 0.439 20 0 GCADHM O=C([C@@H]1CCc2c[nH]nc2C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822916862 599138633 /nfs/dbraw/zinc/13/86/33/599138633.db2.gz GPWBZOJJPOHHRK-CYBMUJFWSA-N -1 3 379.428 0.439 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1Cn1cncn1 ZINC000823202186 599142668 /nfs/dbraw/zinc/14/26/68/599142668.db2.gz SUJKLPIQRJNZEH-UHFFFAOYSA-N -1 3 390.411 0.743 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1Cn1cncn1 ZINC000823202186 599142670 /nfs/dbraw/zinc/14/26/70/599142670.db2.gz SUJKLPIQRJNZEH-UHFFFAOYSA-N -1 3 390.411 0.743 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cccc(-n2cncn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737746060 599143237 /nfs/dbraw/zinc/14/32/37/599143237.db2.gz ZGCYIKKSUGLXID-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cccc(-n2cncn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737746060 599143239 /nfs/dbraw/zinc/14/32/39/599143239.db2.gz ZGCYIKKSUGLXID-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738083250 599150515 /nfs/dbraw/zinc/15/05/15/599150515.db2.gz SQUKYCXWEXVRBU-LLVKDONJSA-N -1 3 378.364 0.256 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738083250 599150516 /nfs/dbraw/zinc/15/05/16/599150516.db2.gz SQUKYCXWEXVRBU-LLVKDONJSA-N -1 3 378.364 0.256 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC000820607165 599168176 /nfs/dbraw/zinc/16/81/76/599168176.db2.gz KXFPPDCZCQGCGE-QGZVFWFLSA-N -1 3 387.375 0.343 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC000820607165 599168179 /nfs/dbraw/zinc/16/81/79/599168179.db2.gz KXFPPDCZCQGCGE-QGZVFWFLSA-N -1 3 387.375 0.343 20 0 GCADHM O=C1NCCc2ccc(S(=O)(=O)NCc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000738318507 599168270 /nfs/dbraw/zinc/16/82/70/599168270.db2.gz JVVMSIAWJMQERR-UHFFFAOYSA-N -1 3 384.421 0.631 20 0 GCADHM O=C1NCCc2ccc(S(=O)(=O)NCc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000738318507 599168272 /nfs/dbraw/zinc/16/82/72/599168272.db2.gz JVVMSIAWJMQERR-UHFFFAOYSA-N -1 3 384.421 0.631 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821441260 599176353 /nfs/dbraw/zinc/17/63/53/599176353.db2.gz JHOMYTUIXIGIGJ-UHFFFAOYSA-N -1 3 396.448 0.684 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821441260 599176355 /nfs/dbraw/zinc/17/63/55/599176355.db2.gz JHOMYTUIXIGIGJ-UHFFFAOYSA-N -1 3 396.448 0.684 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821932078 599179098 /nfs/dbraw/zinc/17/90/98/599179098.db2.gz JDSSMZOVVPSSKF-ZDUSSCGKSA-N -1 3 382.421 0.436 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821932078 599179100 /nfs/dbraw/zinc/17/91/00/599179100.db2.gz JDSSMZOVVPSSKF-ZDUSSCGKSA-N -1 3 382.421 0.436 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000820528309 599185220 /nfs/dbraw/zinc/18/52/20/599185220.db2.gz NLQAYLCUCFOXPB-HOCLYGCPSA-N -1 3 386.456 0.957 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000820542627 599185329 /nfs/dbraw/zinc/18/53/29/599185329.db2.gz PKDXIKWYZGJBCZ-HUUCEWRRSA-N -1 3 386.456 0.957 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000820542627 599185331 /nfs/dbraw/zinc/18/53/31/599185331.db2.gz PKDXIKWYZGJBCZ-HUUCEWRRSA-N -1 3 386.456 0.957 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822869627 599188305 /nfs/dbraw/zinc/18/83/05/599188305.db2.gz ZVFXIYUPJHBFEJ-UHFFFAOYSA-N -1 3 382.380 0.426 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822869627 599188308 /nfs/dbraw/zinc/18/83/08/599188308.db2.gz ZVFXIYUPJHBFEJ-UHFFFAOYSA-N -1 3 382.380 0.426 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCC[C@@H]1O ZINC000823055364 599189522 /nfs/dbraw/zinc/18/95/22/599189522.db2.gz NBXVRWZJLLFGND-KGLIPLIRSA-N -1 3 379.442 0.059 20 0 GCADHM Cn1cc([C@@H]2CCN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)C2)cn1 ZINC000737605340 599191090 /nfs/dbraw/zinc/19/10/90/599191090.db2.gz NFTRKIAERAPLRI-GFCCVEGCSA-N -1 3 382.432 0.606 20 0 GCADHM Cn1cc([C@@H]2CCN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)C2)cn1 ZINC000737605340 599191093 /nfs/dbraw/zinc/19/10/93/599191093.db2.gz NFTRKIAERAPLRI-GFCCVEGCSA-N -1 3 382.432 0.606 20 0 GCADHM CCc1c(C)sc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1-c1nnn[n-]1 ZINC000736676442 599194943 /nfs/dbraw/zinc/19/49/43/599194943.db2.gz VAZJINLTPJWQNL-UHFFFAOYSA-N -1 3 375.414 0.449 20 0 GCADHM CCc1c(C)sc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1-c1nn[n-]n1 ZINC000736676442 599194944 /nfs/dbraw/zinc/19/49/44/599194944.db2.gz VAZJINLTPJWQNL-UHFFFAOYSA-N -1 3 375.414 0.449 20 0 GCADHM Cc1nc(NC(=O)c2cnn3cccnc23)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737482476 599201367 /nfs/dbraw/zinc/20/13/67/599201367.db2.gz LNUVQHAHZHSENO-UHFFFAOYSA-N -1 3 387.367 0.473 20 0 GCADHM CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)nc2)ncn1 ZINC000821637932 599202157 /nfs/dbraw/zinc/20/21/57/599202157.db2.gz ZYSRHTSSOJNLRU-LBPRGKRZSA-N -1 3 380.416 0.492 20 0 GCADHM CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)nc2)ncn1 ZINC000821637932 599202159 /nfs/dbraw/zinc/20/21/59/599202159.db2.gz ZYSRHTSSOJNLRU-LBPRGKRZSA-N -1 3 380.416 0.492 20 0 GCADHM COCCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737006388 599202214 /nfs/dbraw/zinc/20/22/14/599202214.db2.gz HOKQHYUVUILOKT-CQSZACIVSA-N -1 3 388.428 0.341 20 0 GCADHM COCCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737006388 599202215 /nfs/dbraw/zinc/20/22/15/599202215.db2.gz HOKQHYUVUILOKT-CQSZACIVSA-N -1 3 388.428 0.341 20 0 GCADHM COCCN(C(=O)c1ccc(=O)n(CCOC)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989031 599204036 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ZINC000822527950 607261418 /nfs/dbraw/zinc/26/14/18/607261418.db2.gz LQFMATUDUIBRQL-JTQLQIEISA-N -1 3 389.397 0.901 20 0 GCADHM Cc1noc(CCC(=O)O[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n1 ZINC000822527950 607261419 /nfs/dbraw/zinc/26/14/19/607261419.db2.gz LQFMATUDUIBRQL-JTQLQIEISA-N -1 3 389.397 0.901 20 0 GCADHM C[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CN(C)CCO1 ZINC000820366411 607261723 /nfs/dbraw/zinc/26/17/23/607261723.db2.gz OBAXDHRBFNTLBU-WFASDCNBSA-N -1 3 375.433 0.264 20 0 GCADHM CC[C@@](C)(NC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)C(N)=O ZINC000820852539 607262128 /nfs/dbraw/zinc/26/21/28/607262128.db2.gz CFGZPFXHXKDHSC-QGZVFWFLSA-N -1 3 376.417 0.805 20 0 GCADHM CC[C@@](C)(NC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)C(N)=O ZINC000820852539 607262129 /nfs/dbraw/zinc/26/21/29/607262129.db2.gz CFGZPFXHXKDHSC-QGZVFWFLSA-N -1 3 376.417 0.805 20 0 GCADHM CN1CCO[C@@H]2CN([C@H]3CCN(c4sccc4-c4nnn[n-]4)C3=O)C[C@H]21 ZINC000821628123 607265521 /nfs/dbraw/zinc/26/55/21/607265521.db2.gz AIZKILDEIHPEKC-YNEHKIRRSA-N -1 3 375.458 0.048 20 0 GCADHM CN1CCO[C@@H]2CN([C@H]3CCN(c4sccc4-c4nn[n-]n4)C3=O)C[C@H]21 ZINC000821628123 607265522 /nfs/dbraw/zinc/26/55/22/607265522.db2.gz AIZKILDEIHPEKC-YNEHKIRRSA-N -1 3 375.458 0.048 20 0 GCADHM COC(=O)C1(NCc2ccc(F)c(-c3nnn[n-]3)c2)CCS(=O)(=O)CC1 ZINC000821653888 607264725 /nfs/dbraw/zinc/26/47/25/607264725.db2.gz NVWVIKYIUZDPJO-UHFFFAOYSA-N -1 3 383.405 0.216 20 0 GCADHM COC(=O)C1(NCc2ccc(F)c(-c3nn[n-]n3)c2)CCS(=O)(=O)CC1 ZINC000821653888 607264726 /nfs/dbraw/zinc/26/47/26/607264726.db2.gz NVWVIKYIUZDPJO-UHFFFAOYSA-N -1 3 383.405 0.216 20 0 GCADHM COCCNC(=S)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821691078 599228652 /nfs/dbraw/zinc/22/86/52/599228652.db2.gz HYIKQBIURPOHKX-UHFFFAOYSA-N -1 3 377.474 0.761 20 0 GCADHM COCCNC(=S)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821691078 599228655 /nfs/dbraw/zinc/22/86/55/599228655.db2.gz HYIKQBIURPOHKX-UHFFFAOYSA-N -1 3 377.474 0.761 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)CCNC(=O)N1CCc2ccccc2C1 ZINC000517006508 597003123 /nfs/dbraw/zinc/00/31/23/597003123.db2.gz QIDMBXBPBOYKBZ-UHFFFAOYSA-N -1 3 376.457 0.619 20 0 GCADHM Cc1c(NC(=O)CNS(=O)(=O)CCOC(C)C)cccc1-c1nn[n-]n1 ZINC000822068884 607268707 /nfs/dbraw/zinc/26/87/07/607268707.db2.gz VZVHOHYTMRWYFN-UHFFFAOYSA-N -1 3 382.446 0.458 20 0 GCADHM Cc1cc(CS(=O)(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)no1 ZINC000737263367 599235889 /nfs/dbraw/zinc/23/58/89/599235889.db2.gz INSYCBJOLBLOLI-UHFFFAOYSA-N -1 3 390.429 0.210 20 0 GCADHM Cc1cc(CS(=O)(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)no1 ZINC000737263367 599235891 /nfs/dbraw/zinc/23/58/91/599235891.db2.gz INSYCBJOLBLOLI-UHFFFAOYSA-N -1 3 390.429 0.210 20 0 GCADHM Cc1cc(-n2cncn2)ccc1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737225761 599239373 /nfs/dbraw/zinc/23/93/73/599239373.db2.gz IFONASNAZPFYDT-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM Cc1cc(-n2cncn2)ccc1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737225761 599239375 /nfs/dbraw/zinc/23/93/75/599239375.db2.gz IFONASNAZPFYDT-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM C[C@H](OC(=O)COC1CCOCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736155001 599240749 /nfs/dbraw/zinc/24/07/49/599240749.db2.gz FJBUROKXFTVAOL-NSHDSACASA-N -1 3 375.385 0.933 20 0 GCADHM C[C@H](OC(=O)COC1CCOCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736155001 599240750 /nfs/dbraw/zinc/24/07/50/599240750.db2.gz FJBUROKXFTVAOL-NSHDSACASA-N -1 3 375.385 0.933 20 0 GCADHM COCCOC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737005537 599241283 /nfs/dbraw/zinc/24/12/83/599241283.db2.gz HYLRHLPAVVZSQQ-SECBINFHSA-N -1 3 382.808 0.626 20 0 GCADHM COCCOC[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737005537 599241285 /nfs/dbraw/zinc/24/12/85/599241285.db2.gz HYLRHLPAVVZSQQ-SECBINFHSA-N -1 3 382.808 0.626 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCOC[C@@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC000822053037 607272255 /nfs/dbraw/zinc/27/22/55/607272255.db2.gz JMNULDFODGLVRW-ZDUSSCGKSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCOC[C@@H]2CCCO2)cccc1-c1nn[n-]n1 ZINC000822053037 607272256 /nfs/dbraw/zinc/27/22/56/607272256.db2.gz JMNULDFODGLVRW-ZDUSSCGKSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822052590 607272407 /nfs/dbraw/zinc/27/24/07/607272407.db2.gz DTALCYJKMSJFQD-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822052590 607272408 /nfs/dbraw/zinc/27/24/08/607272408.db2.gz DTALCYJKMSJFQD-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(=O)NCc2ccco2)cccc1-c1nnn[n-]1 ZINC000822052524 607272430 /nfs/dbraw/zinc/27/24/30/607272430.db2.gz CTMVRRVXCALGRD-UHFFFAOYSA-N -1 3 383.368 0.139 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(=O)NCc2ccco2)cccc1-c1nn[n-]n1 ZINC000822052524 607272431 /nfs/dbraw/zinc/27/24/31/607272431.db2.gz CTMVRRVXCALGRD-UHFFFAOYSA-N -1 3 383.368 0.139 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C[C@@H]1C ZINC000737006451 599244244 /nfs/dbraw/zinc/24/42/44/599244244.db2.gz XKYNTGMSBHBEQU-ZDUSSCGKSA-N -1 3 387.444 0.293 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)CC2 ZINC000821654052 607275919 /nfs/dbraw/zinc/27/59/19/607275919.db2.gz SEXHDJNOHLGDEU-CYBMUJFWSA-N -1 3 398.423 0.915 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)CC2 ZINC000821654052 607275920 /nfs/dbraw/zinc/27/59/20/607275920.db2.gz SEXHDJNOHLGDEU-CYBMUJFWSA-N -1 3 398.423 0.915 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC[S@](=O)C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822052303 607276711 /nfs/dbraw/zinc/27/67/11/607276711.db2.gz BJKXGQSMLIFLAZ-SANMLTNESA-N -1 3 378.458 0.777 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC[S@](=O)C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822052303 607276712 /nfs/dbraw/zinc/27/67/12/607276712.db2.gz BJKXGQSMLIFLAZ-SANMLTNESA-N -1 3 378.458 0.777 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822052300 607276812 /nfs/dbraw/zinc/27/68/12/607276812.db2.gz BJKXGQSMLIFLAZ-AREMUKBSSA-N -1 3 378.458 0.777 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822052300 607276813 /nfs/dbraw/zinc/27/68/13/607276813.db2.gz BJKXGQSMLIFLAZ-AREMUKBSSA-N -1 3 378.458 0.777 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820656764 599245321 /nfs/dbraw/zinc/24/53/21/599245321.db2.gz HCGBUWXVARZYCO-YGRLFVJLSA-N -1 3 381.400 0.916 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820656764 599245324 /nfs/dbraw/zinc/24/53/24/599245324.db2.gz HCGBUWXVARZYCO-YGRLFVJLSA-N -1 3 381.400 0.916 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821691812 607277548 /nfs/dbraw/zinc/27/75/48/607277548.db2.gz FSFVYJVSMSLPDR-ZDUSSCGKSA-N -1 3 388.428 0.625 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821691812 607277549 /nfs/dbraw/zinc/27/75/49/607277549.db2.gz FSFVYJVSMSLPDR-ZDUSSCGKSA-N -1 3 388.428 0.625 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cccc1-c1nnn[n-]1 ZINC000822044250 607277824 /nfs/dbraw/zinc/27/78/24/607277824.db2.gz KCADHOMANGHIEX-LBPRGKRZSA-N -1 3 381.400 0.569 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)cccc1-c1nn[n-]n1 ZINC000822044250 607277825 /nfs/dbraw/zinc/27/78/25/607277825.db2.gz KCADHOMANGHIEX-LBPRGKRZSA-N -1 3 381.400 0.569 20 0 GCADHM O=C(CS[C@H]1CCS(=O)(=O)C1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737932823 599245852 /nfs/dbraw/zinc/24/58/52/599245852.db2.gz QPXBQGLJSZOWHA-ZDUSSCGKSA-N -1 3 397.482 0.282 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821320950 607272703 /nfs/dbraw/zinc/27/27/03/607272703.db2.gz RDJMREGQVJTUNH-LBPRGKRZSA-N -1 3 386.412 0.915 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821320950 607272704 /nfs/dbraw/zinc/27/27/04/607272704.db2.gz RDJMREGQVJTUNH-LBPRGKRZSA-N -1 3 386.412 0.915 20 0 GCADHM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)C2 ZINC000822472740 607272754 /nfs/dbraw/zinc/27/27/54/607272754.db2.gz YGGYHRYOKGSTHZ-CYBMUJFWSA-N -1 3 392.423 0.886 20 0 GCADHM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)C2 ZINC000822472740 607272755 /nfs/dbraw/zinc/27/27/55/607272755.db2.gz YGGYHRYOKGSTHZ-CYBMUJFWSA-N -1 3 392.423 0.886 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cccc1-c1nnn[n-]1 ZINC000822044257 607273051 /nfs/dbraw/zinc/27/30/51/607273051.db2.gz KLXCEHNPJGRZGO-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cccc1-c1nn[n-]n1 ZINC000822044257 607273052 /nfs/dbraw/zinc/27/30/52/607273052.db2.gz KLXCEHNPJGRZGO-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821690969 599246420 /nfs/dbraw/zinc/24/64/20/599246420.db2.gz CUBMJIDRLJLNDA-UHFFFAOYSA-N -1 3 385.388 0.470 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821690969 599246422 /nfs/dbraw/zinc/24/64/22/599246422.db2.gz CUBMJIDRLJLNDA-UHFFFAOYSA-N -1 3 385.388 0.470 20 0 GCADHM C[C@@H](O)CN1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000736149607 599246648 /nfs/dbraw/zinc/24/66/48/599246648.db2.gz UOFBZOSMEMKCHR-QWHCGFSZSA-N -1 3 376.486 0.872 20 0 GCADHM C[C@H](O)CN1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000736149608 599246738 /nfs/dbraw/zinc/24/67/38/599246738.db2.gz UOFBZOSMEMKCHR-STQMWFEESA-N -1 3 376.486 0.872 20 0 GCADHM C[C@H](O)CN1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC000736149606 599246854 /nfs/dbraw/zinc/24/68/54/599246854.db2.gz UOFBZOSMEMKCHR-OLZOCXBDSA-N -1 3 376.486 0.872 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cccc1-c1nnn[n-]1 ZINC000822052157 607278538 /nfs/dbraw/zinc/27/85/38/607278538.db2.gz AAAUZTOWHRWWPK-HZPDHXFCSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cccc1-c1nn[n-]n1 ZINC000822052157 607278539 /nfs/dbraw/zinc/27/85/39/607278539.db2.gz AAAUZTOWHRWWPK-HZPDHXFCSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCC(=O)N2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822054043 607274113 /nfs/dbraw/zinc/27/41/13/607274113.db2.gz UJPMDKKWKSIMBY-UHFFFAOYSA-N -1 3 385.428 0.632 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCC(=O)N2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822054043 607274114 /nfs/dbraw/zinc/27/41/14/607274114.db2.gz UJPMDKKWKSIMBY-UHFFFAOYSA-N -1 3 385.428 0.632 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822052955 607275186 /nfs/dbraw/zinc/27/51/86/607275186.db2.gz IQGCGHJMCNGSEV-CQSZACIVSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H](O)Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822052955 607275187 /nfs/dbraw/zinc/27/51/87/607275187.db2.gz IQGCGHJMCNGSEV-CQSZACIVSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822052952 607275198 /nfs/dbraw/zinc/27/51/98/607275198.db2.gz IQGCGHJMCNGSEV-AWEZNQCLSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@@H](O)Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822052952 607275199 /nfs/dbraw/zinc/27/51/99/607275199.db2.gz IQGCGHJMCNGSEV-AWEZNQCLSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)cccc1-c1nnn[n-]1 ZINC000822053180 607275323 /nfs/dbraw/zinc/27/53/23/607275323.db2.gz KGMAGEJMCRCALV-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)cccc1-c1nn[n-]n1 ZINC000822053180 607275324 /nfs/dbraw/zinc/27/53/24/607275324.db2.gz KGMAGEJMCRCALV-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(=O)NC2CCCCC2)cccc1-c1nnn[n-]1 ZINC000822053649 607275338 /nfs/dbraw/zinc/27/53/38/607275338.db2.gz PPLXRBSIYQODKQ-UHFFFAOYSA-N -1 3 385.428 0.679 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(=O)NC2CCCCC2)cccc1-c1nn[n-]n1 ZINC000822053649 607275339 /nfs/dbraw/zinc/27/53/39/607275339.db2.gz PPLXRBSIYQODKQ-UHFFFAOYSA-N -1 3 385.428 0.679 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cccc1-c1nnn[n-]1 ZINC000822043173 607278767 /nfs/dbraw/zinc/27/87/67/607278767.db2.gz BRWVYVWSAWDONF-CABCVRRESA-N -1 3 386.412 0.520 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cccc1-c1nn[n-]n1 ZINC000822043173 607278768 /nfs/dbraw/zinc/27/87/68/607278768.db2.gz BRWVYVWSAWDONF-CABCVRRESA-N -1 3 386.412 0.520 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cccc1-c1nnn[n-]1 ZINC000822043179 607278851 /nfs/dbraw/zinc/27/88/51/607278851.db2.gz BRWVYVWSAWDONF-HUUCEWRRSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cccc1-c1nn[n-]n1 ZINC000822043179 607278852 /nfs/dbraw/zinc/27/88/52/607278852.db2.gz BRWVYVWSAWDONF-HUUCEWRRSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822044973 607279087 /nfs/dbraw/zinc/27/90/87/607279087.db2.gz NZTSGJGNZHSYAI-DRCTWCGVSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cccc1-c1nn[n-]n1 ZINC000822044973 607279088 /nfs/dbraw/zinc/27/90/88/607279088.db2.gz NZTSGJGNZHSYAI-DRCTWCGVSA-N -1 3 383.412 0.239 20 0 GCADHM CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1 ZINC000737167404 599250456 /nfs/dbraw/zinc/25/04/56/599250456.db2.gz ADJMRWUZLYBRRP-UHFFFAOYSA-N -1 3 387.425 0.028 20 0 GCADHM CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1 ZINC000737167404 599250458 /nfs/dbraw/zinc/25/04/58/599250458.db2.gz ADJMRWUZLYBRRP-UHFFFAOYSA-N -1 3 387.425 0.028 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822044990 607279151 /nfs/dbraw/zinc/27/91/51/607279151.db2.gz NZTSGJGNZHSYAI-UDZFHETQSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cccc1-c1nn[n-]n1 ZINC000822044990 607279152 /nfs/dbraw/zinc/27/91/52/607279152.db2.gz NZTSGJGNZHSYAI-UDZFHETQSA-N -1 3 383.412 0.239 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821367357 607280417 /nfs/dbraw/zinc/28/04/17/607280417.db2.gz HMMDPQUXXRQIIM-AWEZNQCLSA-N -1 3 389.460 0.722 20 0 GCADHM Cc1c(NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cccc1-c1nnn[n-]1 ZINC000822088885 607280569 /nfs/dbraw/zinc/28/05/69/607280569.db2.gz AXBVWOZNACTYAX-AWEZNQCLSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1c(NC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cccc1-c1nn[n-]n1 ZINC000822088885 607280570 /nfs/dbraw/zinc/28/05/70/607280570.db2.gz AXBVWOZNACTYAX-AWEZNQCLSA-N -1 3 381.400 0.836 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826428562 607837858 /nfs/dbraw/zinc/83/78/58/607837858.db2.gz FLWWJNQBJZOQET-OAHLLOKOSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H](C(=O)Nc1ccncc1-c1nnn[n-]1)S(=O)(=O)c1ccc(F)cc1 ZINC000735571509 599253465 /nfs/dbraw/zinc/25/34/65/599253465.db2.gz YCFNPUFLGAMDMP-VIFPVBQESA-N -1 3 376.373 0.624 20 0 GCADHM C[C@@H](C(=O)Nc1ccncc1-c1nn[n-]n1)S(=O)(=O)c1ccc(F)cc1 ZINC000735571509 599253468 /nfs/dbraw/zinc/25/34/68/599253468.db2.gz YCFNPUFLGAMDMP-VIFPVBQESA-N -1 3 376.373 0.624 20 0 GCADHM NC(=O)COc1cccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822869246 599255496 /nfs/dbraw/zinc/25/54/96/599255496.db2.gz RQFQAICNUWWDNI-UHFFFAOYSA-N -1 3 397.395 0.931 20 0 GCADHM Cc1c(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cccc1-c1nnn[n-]1 ZINC000822083448 607284612 /nfs/dbraw/zinc/28/46/12/607284612.db2.gz BDFVGKVBFUHXKX-GFCCVEGCSA-N -1 3 393.473 0.968 20 0 GCADHM Cc1c(NC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cccc1-c1nn[n-]n1 ZINC000822083448 607284613 /nfs/dbraw/zinc/28/46/13/607284613.db2.gz BDFVGKVBFUHXKX-GFCCVEGCSA-N -1 3 393.473 0.968 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000735883089 599261615 /nfs/dbraw/zinc/26/16/15/599261615.db2.gz WCMCYQIBHIJYSY-UHFFFAOYSA-N -1 3 394.439 0.588 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000735883089 599261617 /nfs/dbraw/zinc/26/16/17/599261617.db2.gz WCMCYQIBHIJYSY-UHFFFAOYSA-N -1 3 394.439 0.588 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CN(C(=O)OC)C1 ZINC000821689619 607302514 /nfs/dbraw/zinc/30/25/14/607302514.db2.gz GBCJBJINQIZLPC-UHFFFAOYSA-N -1 3 389.416 0.475 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CN(C(=O)OC)C1 ZINC000821689619 607302515 /nfs/dbraw/zinc/30/25/15/607302515.db2.gz GBCJBJINQIZLPC-UHFFFAOYSA-N -1 3 389.416 0.475 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CC2)n1C ZINC000822085268 607290064 /nfs/dbraw/zinc/29/00/64/607290064.db2.gz XOOHBPAUIMJJSH-UHFFFAOYSA-N -1 3 396.459 0.962 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CC2)n1C ZINC000822085268 607290065 /nfs/dbraw/zinc/29/00/65/607290065.db2.gz XOOHBPAUIMJJSH-UHFFFAOYSA-N -1 3 396.459 0.962 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCN(S(C)(=O)=O)CC1 ZINC000737265227 599262202 /nfs/dbraw/zinc/26/22/02/599262202.db2.gz ZSFXVQPHLNQWMG-UHFFFAOYSA-N -1 3 391.432 0.944 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCN(S(C)(=O)=O)CC1 ZINC000737265227 599262206 /nfs/dbraw/zinc/26/22/06/599262206.db2.gz ZSFXVQPHLNQWMG-UHFFFAOYSA-N -1 3 391.432 0.944 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@@H]1CN(C)CCO1 ZINC000820314446 607292645 /nfs/dbraw/zinc/29/26/45/607292645.db2.gz IZMFHCFETXEVJL-ZANVPECISA-N -1 3 393.835 0.294 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@@H]1CN(C)CCO1 ZINC000820314446 607292646 /nfs/dbraw/zinc/29/26/46/607292646.db2.gz IZMFHCFETXEVJL-ZANVPECISA-N -1 3 393.835 0.294 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1CN(C)CCO1 ZINC000820314445 607292746 /nfs/dbraw/zinc/29/27/46/607292746.db2.gz IZMFHCFETXEVJL-TVQRCGJNSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1CN(C)CCO1 ZINC000820314445 607292747 /nfs/dbraw/zinc/29/27/47/607292747.db2.gz IZMFHCFETXEVJL-TVQRCGJNSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CN(C)CCO1 ZINC000820314839 607292855 /nfs/dbraw/zinc/29/28/55/607292855.db2.gz KUGNGGITJIVZQN-NOZJJQNGSA-N -1 3 393.835 0.294 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000735734599 599258802 /nfs/dbraw/zinc/25/88/02/599258802.db2.gz HJTHEJCXOUMESM-MRXNPFEDSA-N -1 3 398.427 0.981 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000735734599 599258804 /nfs/dbraw/zinc/25/88/04/599258804.db2.gz HJTHEJCXOUMESM-MRXNPFEDSA-N -1 3 398.427 0.981 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000819789257 607293744 /nfs/dbraw/zinc/29/37/44/607293744.db2.gz LGAMQDGNWUFNNO-HNNXBMFYSA-N -1 3 396.411 0.821 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000819789257 607293745 /nfs/dbraw/zinc/29/37/45/607293745.db2.gz LGAMQDGNWUFNNO-HNNXBMFYSA-N -1 3 396.411 0.821 20 0 GCADHM C[C@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350436 607298772 /nfs/dbraw/zinc/29/87/72/607298772.db2.gz KSZFHMKXEXXZKQ-ZDUSSCGKSA-N -1 3 386.460 0.343 20 0 GCADHM C[C@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350436 607298773 /nfs/dbraw/zinc/29/87/73/607298773.db2.gz KSZFHMKXEXXZKQ-ZDUSSCGKSA-N -1 3 386.460 0.343 20 0 GCADHM CCS(=O)(=O)CCNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821440914 607300378 /nfs/dbraw/zinc/30/03/78/607300378.db2.gz DTATZDTYFBBNGJ-UHFFFAOYSA-N -1 3 394.457 0.526 20 0 GCADHM CCS(=O)(=O)CCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821440914 607300379 /nfs/dbraw/zinc/30/03/79/607300379.db2.gz DTATZDTYFBBNGJ-UHFFFAOYSA-N -1 3 394.457 0.526 20 0 GCADHM CNC(=O)[C@@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000821631416 607300733 /nfs/dbraw/zinc/30/07/33/607300733.db2.gz IPZBTDMWXQJFJS-CYBMUJFWSA-N -1 3 399.455 0.960 20 0 GCADHM CNC(=O)[C@@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000821631416 607300734 /nfs/dbraw/zinc/30/07/34/607300734.db2.gz IPZBTDMWXQJFJS-CYBMUJFWSA-N -1 3 399.455 0.960 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NCC1(O)CCOCC1 ZINC000822954792 607301801 /nfs/dbraw/zinc/30/18/01/607301801.db2.gz DJYKPUBXFPWIJW-UHFFFAOYSA-N -1 3 388.428 0.633 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NCC1(O)CCOCC1 ZINC000822954792 607301802 /nfs/dbraw/zinc/30/18/02/607301802.db2.gz DJYKPUBXFPWIJW-UHFFFAOYSA-N -1 3 388.428 0.633 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000735472859 599263973 /nfs/dbraw/zinc/26/39/73/599263973.db2.gz BLISWDGTLLYCFD-SJORKVTESA-N -1 3 399.455 0.199 20 0 GCADHM COc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1OCC(N)=O ZINC000821834992 607309049 /nfs/dbraw/zinc/30/90/49/607309049.db2.gz ADBROERMRHOFOR-UHFFFAOYSA-N -1 3 394.395 0.999 20 0 GCADHM COc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1OCC(N)=O ZINC000821834992 607309050 /nfs/dbraw/zinc/30/90/50/607309050.db2.gz ADBROERMRHOFOR-UHFFFAOYSA-N -1 3 394.395 0.999 20 0 GCADHM O=C1[C@@H](N2CCN([C@@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823504313 607311757 /nfs/dbraw/zinc/31/17/57/607311757.db2.gz OWOWVHNNFHDFKX-SJORKVTESA-N -1 3 383.456 0.379 20 0 GCADHM CCCNC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000736479770 599264687 /nfs/dbraw/zinc/26/46/87/599264687.db2.gz GTBPUGJDLIZDFH-UHFFFAOYSA-N -1 3 393.473 0.257 20 0 GCADHM CCCNC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000736479770 599264689 /nfs/dbraw/zinc/26/46/89/599264689.db2.gz GTBPUGJDLIZDFH-UHFFFAOYSA-N -1 3 393.473 0.257 20 0 GCADHM O=C(CN1CCN([C@H]2CCOC2)CC1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822996338 607312740 /nfs/dbraw/zinc/31/27/40/607312740.db2.gz CSAXLIRYQADOCG-ZDUSSCGKSA-N -1 3 391.863 0.865 20 0 GCADHM O=C(CN1CCN([C@H]2CCOC2)CC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822996338 607312741 /nfs/dbraw/zinc/31/27/41/607312741.db2.gz CSAXLIRYQADOCG-ZDUSSCGKSA-N -1 3 391.863 0.865 20 0 GCADHM CS(=O)(=O)Cc1ccccc1NC[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821932084 607314231 /nfs/dbraw/zinc/31/42/31/607314231.db2.gz JGLVRXIJUQRPKZ-LLVKDONJSA-N -1 3 388.457 0.762 20 0 GCADHM CS(=O)(=O)Cc1ccccc1NC[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821932084 607314232 /nfs/dbraw/zinc/31/42/32/607314232.db2.gz JGLVRXIJUQRPKZ-LLVKDONJSA-N -1 3 388.457 0.762 20 0 GCADHM O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823572122 607315501 /nfs/dbraw/zinc/31/55/01/607315501.db2.gz BSNMHVAEOKFLNO-GJZGRUSLSA-N -1 3 375.385 0.942 20 0 GCADHM O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823572122 607315502 /nfs/dbraw/zinc/31/55/02/607315502.db2.gz BSNMHVAEOKFLNO-GJZGRUSLSA-N -1 3 375.385 0.942 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)C1 ZINC000823612888 607304057 /nfs/dbraw/zinc/30/40/57/607304057.db2.gz FTIUBCJAHWNNAX-CYBMUJFWSA-N -1 3 399.480 0.724 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)C1 ZINC000823612888 607304058 /nfs/dbraw/zinc/30/40/58/607304058.db2.gz FTIUBCJAHWNNAX-CYBMUJFWSA-N -1 3 399.480 0.724 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)C1 ZINC000823613515 607304177 /nfs/dbraw/zinc/30/41/77/607304177.db2.gz KHLAHQOIFZKNAM-ZDUSSCGKSA-N -1 3 399.480 0.724 20 0 GCADHM c1cc(N2CCOCC2)nc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000823757077 607304270 /nfs/dbraw/zinc/30/42/70/607304270.db2.gz LPVZXNXGEAKFAV-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM c1cc(N2CCOCC2)nc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000823757077 607304271 /nfs/dbraw/zinc/30/42/71/607304271.db2.gz LPVZXNXGEAKFAV-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(CCOc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000822674072 607304931 /nfs/dbraw/zinc/30/49/31/607304931.db2.gz KSFJSPBZQHTUOZ-QGZVFWFLSA-N -1 3 382.384 0.446 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(CCOc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000822674072 607304932 /nfs/dbraw/zinc/30/49/32/607304932.db2.gz KSFJSPBZQHTUOZ-QGZVFWFLSA-N -1 3 382.384 0.446 20 0 GCADHM CC(=O)NCCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)[C@@H](C)C(=O)[O-] ZINC000819744495 597688749 /nfs/dbraw/zinc/68/87/49/597688749.db2.gz PNCWWEYINANRDR-YOEHRIQHSA-N -1 3 376.457 0.731 20 0 GCADHM CC(=O)NCCN(C(=O)[C@H]1CCCN(Cc2cccnc2)C1)[C@H](C)C(=O)[O-] ZINC000819744492 597688868 /nfs/dbraw/zinc/68/88/68/597688868.db2.gz PNCWWEYINANRDR-PBHICJAKSA-N -1 3 376.457 0.731 20 0 GCADHM COC[C@@H](C)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736972338 599274082 /nfs/dbraw/zinc/27/40/82/599274082.db2.gz XLMAJJLSWBQDAK-LLVKDONJSA-N -1 3 384.437 0.493 20 0 GCADHM C[C@@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113549 599274939 /nfs/dbraw/zinc/27/49/39/599274939.db2.gz PMKAYPFLEHWANP-IAQYHMDHSA-N -1 3 395.427 0.766 20 0 GCADHM C[C@@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113549 599274940 /nfs/dbraw/zinc/27/49/40/599274940.db2.gz PMKAYPFLEHWANP-IAQYHMDHSA-N -1 3 395.427 0.766 20 0 GCADHM O=S(=O)(NCc1cccc(-n2cncn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738344214 599274981 /nfs/dbraw/zinc/27/49/81/599274981.db2.gz CBXVREXXINOHIY-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM O=S(=O)(NCc1cccc(-n2cncn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738344214 599274982 /nfs/dbraw/zinc/27/49/82/599274982.db2.gz CBXVREXXINOHIY-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM C[C@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113551 599275379 /nfs/dbraw/zinc/27/53/79/599275379.db2.gz PMKAYPFLEHWANP-XHDPSFHLSA-N -1 3 395.427 0.766 20 0 GCADHM C[C@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113551 599275382 /nfs/dbraw/zinc/27/53/82/599275382.db2.gz PMKAYPFLEHWANP-XHDPSFHLSA-N -1 3 395.427 0.766 20 0 GCADHM C[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113550 599275447 /nfs/dbraw/zinc/27/54/47/599275447.db2.gz PMKAYPFLEHWANP-NHYWBVRUSA-N -1 3 395.427 0.766 20 0 GCADHM C[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113550 599275449 /nfs/dbraw/zinc/27/54/49/599275449.db2.gz PMKAYPFLEHWANP-NHYWBVRUSA-N -1 3 395.427 0.766 20 0 GCADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000737161138 599275965 /nfs/dbraw/zinc/27/59/65/599275965.db2.gz GDWVAKZQLSEQIK-AWEZNQCLSA-N -1 3 381.483 0.745 20 0 GCADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000737161138 599275967 /nfs/dbraw/zinc/27/59/67/599275967.db2.gz GDWVAKZQLSEQIK-AWEZNQCLSA-N -1 3 381.483 0.745 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736524903 599275973 /nfs/dbraw/zinc/27/59/73/599275973.db2.gz XEDDNMLRQDQESP-OAHLLOKOSA-N -1 3 399.455 0.456 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736524903 599275974 /nfs/dbraw/zinc/27/59/74/599275974.db2.gz XEDDNMLRQDQESP-OAHLLOKOSA-N -1 3 399.455 0.456 20 0 GCADHM NC(=O)[C@@H](NCc1cccc(-n2cncn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735396 599276577 /nfs/dbraw/zinc/27/65/77/599276577.db2.gz CSLYNOGYKVYGEN-INIZCTEOSA-N -1 3 375.396 0.764 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737610840 599276719 /nfs/dbraw/zinc/27/67/19/599276719.db2.gz RMVVPVLMAWARBH-CQSZACIVSA-N -1 3 381.400 0.205 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737610840 599276722 /nfs/dbraw/zinc/27/67/22/599276722.db2.gz RMVVPVLMAWARBH-CQSZACIVSA-N -1 3 381.400 0.205 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000737944165 599279394 /nfs/dbraw/zinc/27/93/94/599279394.db2.gz WIGVCXACNGEGQL-ZDUSSCGKSA-N -1 3 386.441 0.478 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000737944165 599279397 /nfs/dbraw/zinc/27/93/97/599279397.db2.gz WIGVCXACNGEGQL-ZDUSSCGKSA-N -1 3 386.441 0.478 20 0 GCADHM COC(=O)Cn1cc([C@@H](C)OC(=O)COc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000821663492 607320685 /nfs/dbraw/zinc/32/06/85/607320685.db2.gz ADYVYYOQZRAZKC-SNVBAGLBSA-N -1 3 387.356 0.314 20 0 GCADHM COC(=O)Cn1cc([C@@H](C)OC(=O)COc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000821663492 607320686 /nfs/dbraw/zinc/32/06/86/607320686.db2.gz ADYVYYOQZRAZKC-SNVBAGLBSA-N -1 3 387.356 0.314 20 0 GCADHM Cc1cnn(CCNC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737449132 599281211 /nfs/dbraw/zinc/28/12/11/599281211.db2.gz SMUVCNFMQRNDLV-UHFFFAOYSA-N -1 3 395.471 0.899 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737609481 599281372 /nfs/dbraw/zinc/28/13/72/599281372.db2.gz ICBYVVRDLSUDAR-ZDUSSCGKSA-N -1 3 385.363 0.666 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737609481 599281375 /nfs/dbraw/zinc/28/13/75/599281375.db2.gz ICBYVVRDLSUDAR-ZDUSSCGKSA-N -1 3 385.363 0.666 20 0 GCADHM O=C(Nc1nnc2ccccn21)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738210766 599282277 /nfs/dbraw/zinc/28/22/77/599282277.db2.gz VAJPFVCVILCZRN-UHFFFAOYSA-N -1 3 391.399 0.659 20 0 GCADHM O=C(Nc1nnc2ccccn21)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738210766 599282279 /nfs/dbraw/zinc/28/22/79/599282279.db2.gz VAJPFVCVILCZRN-UHFFFAOYSA-N -1 3 391.399 0.659 20 0 GCADHM Cc1cnn(CCNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000737448791 599283723 /nfs/dbraw/zinc/28/37/23/599283723.db2.gz PNHDISQOVIADPC-UHFFFAOYSA-N -1 3 398.427 0.914 20 0 GCADHM CN(C[C@H]1CN(CCOc2ccc(-c3nn[n-]n3)cc2)CCO1)c1cccnn1 ZINC000736790825 599288836 /nfs/dbraw/zinc/28/88/36/599288836.db2.gz JRJGXGIWKDBZSN-KRWDZBQOSA-N -1 3 396.455 0.873 20 0 GCADHM NC(=O)COCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822869612 607324700 /nfs/dbraw/zinc/32/47/00/607324700.db2.gz ZIUFFDOMRYMEMJ-UHFFFAOYSA-N -1 3 381.396 0.842 20 0 GCADHM O=C([O-])CN1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000821532977 598065851 /nfs/dbraw/zinc/06/58/51/598065851.db2.gz XGQBBVSWCTVYHI-GFCCVEGCSA-N -1 3 386.426 0.770 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC(c3nc4ccccc4[nH]3)C2)c(-c2nnn[n-]2)c1 ZINC000822894808 607328876 /nfs/dbraw/zinc/32/88/76/607328876.db2.gz GSZLQIRYUGEHRX-UHFFFAOYSA-N -1 3 396.436 0.994 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC(c3nc4ccccc4[nH]3)C2)c(-c2nn[n-]n2)c1 ZINC000822894808 607328877 /nfs/dbraw/zinc/32/88/77/607328877.db2.gz GSZLQIRYUGEHRX-UHFFFAOYSA-N -1 3 396.436 0.994 20 0 GCADHM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000823551143 607332286 /nfs/dbraw/zinc/33/22/86/607332286.db2.gz HDJYAQZJVNDIQJ-ZDUSSCGKSA-N -1 3 391.391 0.763 20 0 GCADHM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000823551143 607332287 /nfs/dbraw/zinc/33/22/87/607332287.db2.gz HDJYAQZJVNDIQJ-ZDUSSCGKSA-N -1 3 391.391 0.763 20 0 GCADHM CCOC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821325029 607333871 /nfs/dbraw/zinc/33/38/71/607333871.db2.gz AVIWLGNCBBRLOQ-UHFFFAOYSA-N -1 3 390.375 0.746 20 0 GCADHM CCOC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821325029 607333872 /nfs/dbraw/zinc/33/38/72/607333872.db2.gz AVIWLGNCBBRLOQ-UHFFFAOYSA-N -1 3 390.375 0.746 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821319209 607333922 /nfs/dbraw/zinc/33/39/22/607333922.db2.gz CCFHGVKQSOSJHY-NSHDSACASA-N -1 3 390.375 0.746 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821319209 607333923 /nfs/dbraw/zinc/33/39/23/607333923.db2.gz CCFHGVKQSOSJHY-NSHDSACASA-N -1 3 390.375 0.746 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000819803645 607333928 /nfs/dbraw/zinc/33/39/28/607333928.db2.gz OIMQBKIFASUFIO-NSHDSACASA-N -1 3 375.364 0.071 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000819803645 607333929 /nfs/dbraw/zinc/33/39/29/607333929.db2.gz OIMQBKIFASUFIO-NSHDSACASA-N -1 3 375.364 0.071 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820876054 607335716 /nfs/dbraw/zinc/33/57/16/607335716.db2.gz KWDABWVTENRKNY-RKDXNWHRSA-N -1 3 377.380 0.364 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820876054 607335717 /nfs/dbraw/zinc/33/57/17/607335717.db2.gz KWDABWVTENRKNY-RKDXNWHRSA-N -1 3 377.380 0.364 20 0 GCADHM O=C(NC[C@@H](O)c1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823166152 607336436 /nfs/dbraw/zinc/33/64/36/607336436.db2.gz FSNPAWRRCSOBTD-CQSZACIVSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@@H](O)c1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823166152 607336438 /nfs/dbraw/zinc/33/64/38/607336438.db2.gz FSNPAWRRCSOBTD-CQSZACIVSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823165952 607337927 /nfs/dbraw/zinc/33/79/27/607337927.db2.gz CKZWSORTYSBDQO-ZDUSSCGKSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(NC[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823165952 607337929 /nfs/dbraw/zinc/33/79/29/607337929.db2.gz CKZWSORTYSBDQO-ZDUSSCGKSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823165951 607338158 /nfs/dbraw/zinc/33/81/58/607338158.db2.gz CKZWSORTYSBDQO-CYBMUJFWSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823165951 607338160 /nfs/dbraw/zinc/33/81/60/607338160.db2.gz CKZWSORTYSBDQO-CYBMUJFWSA-N -1 3 384.371 0.664 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819882976 607338279 /nfs/dbraw/zinc/33/82/79/607338279.db2.gz DGZWCTLTGPOEAG-BDAKNGLRSA-N -1 3 398.420 0.224 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819882976 607338280 /nfs/dbraw/zinc/33/82/80/607338280.db2.gz DGZWCTLTGPOEAG-BDAKNGLRSA-N -1 3 398.420 0.224 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC000821691282 607338957 /nfs/dbraw/zinc/33/89/57/607338957.db2.gz OUIDNTDQSQDIEB-NSHDSACASA-N -1 3 391.407 0.123 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC000821691282 607338960 /nfs/dbraw/zinc/33/89/60/607338960.db2.gz OUIDNTDQSQDIEB-NSHDSACASA-N -1 3 391.407 0.123 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000821554817 607339510 /nfs/dbraw/zinc/33/95/10/607339510.db2.gz SOLLUSPYJFEWJN-UHFFFAOYSA-N -1 3 385.363 0.141 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000821554817 607339511 /nfs/dbraw/zinc/33/95/11/607339511.db2.gz SOLLUSPYJFEWJN-UHFFFAOYSA-N -1 3 385.363 0.141 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000823323538 607340078 /nfs/dbraw/zinc/34/00/78/607340078.db2.gz RVTARNKQGKQHLB-UHFFFAOYSA-N -1 3 397.374 0.456 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000823323538 607340080 /nfs/dbraw/zinc/34/00/80/607340080.db2.gz RVTARNKQGKQHLB-UHFFFAOYSA-N -1 3 397.374 0.456 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)Nc1cccnc1 ZINC000823000556 607340728 /nfs/dbraw/zinc/34/07/28/607340728.db2.gz AOEDHRSTRMQDEC-UHFFFAOYSA-N -1 3 384.331 0.094 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)Nc1cccnc1 ZINC000823000556 607340729 /nfs/dbraw/zinc/34/07/29/607340729.db2.gz AOEDHRSTRMQDEC-UHFFFAOYSA-N -1 3 384.331 0.094 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000822859897 607340820 /nfs/dbraw/zinc/34/08/20/607340820.db2.gz JLIHZWQRTLFTJN-WPRPVWTQSA-N -1 3 375.364 0.105 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000822859897 607340821 /nfs/dbraw/zinc/34/08/21/607340821.db2.gz JLIHZWQRTLFTJN-WPRPVWTQSA-N -1 3 375.364 0.105 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3F)C2)cn1 ZINC000822674188 607342263 /nfs/dbraw/zinc/34/22/63/607342263.db2.gz MZQCGGOXZDUROV-LLVKDONJSA-N -1 3 398.402 0.769 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3F)C2)cn1 ZINC000822674188 607342265 /nfs/dbraw/zinc/34/22/65/607342265.db2.gz MZQCGGOXZDUROV-LLVKDONJSA-N -1 3 398.402 0.769 20 0 GCADHM COC(=O)[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821653508 607342328 /nfs/dbraw/zinc/34/23/28/607342328.db2.gz CQHYMQDIXAAWNU-OAHLLOKOSA-N -1 3 380.311 0.058 20 0 GCADHM COC(=O)[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821653508 607342330 /nfs/dbraw/zinc/34/23/30/607342330.db2.gz CQHYMQDIXAAWNU-OAHLLOKOSA-N -1 3 380.311 0.058 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000823323453 607342672 /nfs/dbraw/zinc/34/26/72/607342672.db2.gz OIZPXQYCODDVBX-GJZGRUSLSA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000823323453 607342674 /nfs/dbraw/zinc/34/26/74/607342674.db2.gz OIZPXQYCODDVBX-GJZGRUSLSA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000823319676 607343740 /nfs/dbraw/zinc/34/37/40/607343740.db2.gz XJALPMBGQYBJBZ-CYBMUJFWSA-N -1 3 388.281 0.470 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000823319676 607343743 /nfs/dbraw/zinc/34/37/43/607343743.db2.gz XJALPMBGQYBJBZ-CYBMUJFWSA-N -1 3 388.281 0.470 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000823319678 607343794 /nfs/dbraw/zinc/34/37/94/607343794.db2.gz XJALPMBGQYBJBZ-ZDUSSCGKSA-N -1 3 388.281 0.470 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000823319678 607343796 /nfs/dbraw/zinc/34/37/96/607343796.db2.gz XJALPMBGQYBJBZ-ZDUSSCGKSA-N -1 3 388.281 0.470 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820838034 607344151 /nfs/dbraw/zinc/34/41/51/607344151.db2.gz OUYBHGRPVGNNJX-JTQLQIEISA-N -1 3 375.364 0.071 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820838034 607344153 /nfs/dbraw/zinc/34/41/53/607344153.db2.gz OUYBHGRPVGNNJX-JTQLQIEISA-N -1 3 375.364 0.071 20 0 GCADHM O=C(CCn1ccnc1)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738150630 598232090 /nfs/dbraw/zinc/23/20/90/598232090.db2.gz AYCIPWSXFLNVGA-CQSZACIVSA-N -1 3 398.452 0.994 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)[C@H](C)CO1 ZINC000736284878 598233166 /nfs/dbraw/zinc/23/31/66/598233166.db2.gz HIYQASNCYXZHBL-FMTVUPSXSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)[C@H](C)CO1 ZINC000736284878 598233168 /nfs/dbraw/zinc/23/31/68/598233168.db2.gz HIYQASNCYXZHBL-FMTVUPSXSA-N -1 3 385.428 0.700 20 0 GCADHM COC1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CC1 ZINC000736966522 598233572 /nfs/dbraw/zinc/23/35/72/598233572.db2.gz SNQIIPFPWGZNPL-SFHVURJKSA-N -1 3 385.428 0.702 20 0 GCADHM COC1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CC1 ZINC000736966522 598233574 /nfs/dbraw/zinc/23/35/74/598233574.db2.gz SNQIIPFPWGZNPL-SFHVURJKSA-N -1 3 385.428 0.702 20 0 GCADHM O=c1n(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)nc2ccccn21 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598263616 /nfs/dbraw/zinc/26/36/16/598263616.db2.gz WKIQBULMWPFAIY-CQSZACIVSA-N -1 3 394.457 0.571 20 0 GCADHM O=S(=O)(Cc1ccccc1F)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738331751 598264030 /nfs/dbraw/zinc/26/40/30/598264030.db2.gz WPOMZXJDTBUWLR-UHFFFAOYSA-N -1 3 377.405 0.932 20 0 GCADHM O=S(=O)(Cc1ccccc1F)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738331751 598264031 /nfs/dbraw/zinc/26/40/31/598264031.db2.gz WPOMZXJDTBUWLR-UHFFFAOYSA-N -1 3 377.405 0.932 20 0 GCADHM O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340172 598264042 /nfs/dbraw/zinc/26/40/42/598264042.db2.gz WTYFEYVHNHZMQC-UHFFFAOYSA-N -1 3 399.480 0.988 20 0 GCADHM CNC(=O)CCCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736871441 598268947 /nfs/dbraw/zinc/26/89/47/598268947.db2.gz UKVHEHVFMBGVFP-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM CNC(=O)CCCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736871441 598268949 /nfs/dbraw/zinc/26/89/49/598268949.db2.gz UKVHEHVFMBGVFP-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM 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CC(C)C(=O)NCCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735685181 598281805 /nfs/dbraw/zinc/28/18/05/598281805.db2.gz QTMVXJSPEOBKKQ-UHFFFAOYSA-N -1 3 386.460 0.471 20 0 GCADHM CC(C)C(=O)NCCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735685181 598281806 /nfs/dbraw/zinc/28/18/06/598281806.db2.gz QTMVXJSPEOBKKQ-UHFFFAOYSA-N -1 3 386.460 0.471 20 0 GCADHM O=C(NCCCn1cncn1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738074750 598282848 /nfs/dbraw/zinc/28/28/48/598282848.db2.gz JBGBTFLSWBVELD-UHFFFAOYSA-N -1 3 382.432 0.380 20 0 GCADHM O=C(NCCCn1cncn1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738074750 598282849 /nfs/dbraw/zinc/28/28/49/598282849.db2.gz JBGBTFLSWBVELD-UHFFFAOYSA-N -1 3 382.432 0.380 20 0 GCADHM C[C@H](Cn1cccn1)NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736082460 598283262 /nfs/dbraw/zinc/28/32/62/598283262.db2.gz VIQMLHYAIZQQHD-CQSZACIVSA-N -1 3 381.444 0.984 20 0 GCADHM C[C@H](Cn1cccn1)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736082460 598283264 /nfs/dbraw/zinc/28/32/64/598283264.db2.gz VIQMLHYAIZQQHD-CQSZACIVSA-N -1 3 381.444 0.984 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)C(=O)N(C)C ZINC000736115130 598283405 /nfs/dbraw/zinc/28/34/05/598283405.db2.gz XDWUMJKPZSXGFR-NSHDSACASA-N -1 3 390.423 0.314 20 0 GCADHM Cc1noc(CCNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000737534923 598285538 /nfs/dbraw/zinc/28/55/38/598285538.db2.gz ODZRDLRSFOGNSM-UHFFFAOYSA-N -1 3 384.404 0.027 20 0 GCADHM Cc1noc(CCNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000737534923 598285540 /nfs/dbraw/zinc/28/55/40/598285540.db2.gz ODZRDLRSFOGNSM-UHFFFAOYSA-N -1 3 384.404 0.027 20 0 GCADHM O=C(NCCCN1CCCS1(=O)=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000738065947 598286163 /nfs/dbraw/zinc/28/61/63/598286163.db2.gz ONXXIRSOPAXZLH-UHFFFAOYSA-N -1 3 379.446 0.092 20 0 GCADHM O=C(NCCCN1CCCS1(=O)=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000738065947 598286164 /nfs/dbraw/zinc/28/61/64/598286164.db2.gz ONXXIRSOPAXZLH-UHFFFAOYSA-N -1 3 379.446 0.092 20 0 GCADHM C[C@@H](OC(=O)C1(C(=O)NC2CC2)CC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736154363 598287536 /nfs/dbraw/zinc/28/75/36/598287536.db2.gz UMNTWPJPEZTBCO-SNVBAGLBSA-N -1 3 384.396 0.796 20 0 GCADHM C[C@@H](OC(=O)C1(C(=O)NC2CC2)CC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736154363 598287537 /nfs/dbraw/zinc/28/75/37/598287537.db2.gz UMNTWPJPEZTBCO-SNVBAGLBSA-N -1 3 384.396 0.796 20 0 GCADHM COC(=O)N(C)CCCC(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736931889 598289375 /nfs/dbraw/zinc/28/93/75/598289375.db2.gz CCDIDMLFBNGOQN-UHFFFAOYSA-N -1 3 390.400 0.505 20 0 GCADHM COC(=O)N(C)CCCC(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736931889 598289376 /nfs/dbraw/zinc/28/93/76/598289376.db2.gz CCDIDMLFBNGOQN-UHFFFAOYSA-N -1 3 390.400 0.505 20 0 GCADHM Cc1nc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000737478731 598291800 /nfs/dbraw/zinc/29/18/00/598291800.db2.gz XITFUAGTQKZTML-UHFFFAOYSA-N -1 3 378.370 0.216 20 0 GCADHM Cc1nc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000737478731 598291802 /nfs/dbraw/zinc/29/18/02/598291802.db2.gz XITFUAGTQKZTML-UHFFFAOYSA-N -1 3 378.370 0.216 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1nncn1C ZINC000736110727 598292240 /nfs/dbraw/zinc/29/22/40/598292240.db2.gz BWXCZORIFAUHNX-LBPRGKRZSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1nncn1C ZINC000736110727 598292242 /nfs/dbraw/zinc/29/22/42/598292242.db2.gz BWXCZORIFAUHNX-LBPRGKRZSA-N -1 3 382.432 0.588 20 0 GCADHM CN1C(=O)c2ccc(C(=O)OCCNc3ncccc3-c3nnn[n-]3)cc2C1=O ZINC000736844926 598292281 /nfs/dbraw/zinc/29/22/81/598292281.db2.gz GMNBSWHVAMDTHP-UHFFFAOYSA-N -1 3 393.363 0.756 20 0 GCADHM CN1C(=O)c2ccc(C(=O)OCCNc3ncccc3-c3nn[n-]n3)cc2C1=O ZINC000736844926 598292282 /nfs/dbraw/zinc/29/22/82/598292282.db2.gz GMNBSWHVAMDTHP-UHFFFAOYSA-N -1 3 393.363 0.756 20 0 GCADHM C[C@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)NC(=O)c1ccccc1 ZINC000735976342 598292398 /nfs/dbraw/zinc/29/23/98/598292398.db2.gz LZHXMENUJZZSIZ-LLVKDONJSA-N -1 3 384.400 0.397 20 0 GCADHM C[C@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)NC(=O)c1ccccc1 ZINC000735976342 598292400 /nfs/dbraw/zinc/29/24/00/598292400.db2.gz LZHXMENUJZZSIZ-LLVKDONJSA-N -1 3 384.400 0.397 20 0 GCADHM COc1ccc(C=CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1OC ZINC000737080596 598293182 /nfs/dbraw/zinc/29/31/82/598293182.db2.gz DBZFJASKNSDMIC-XQRVVYSFSA-N -1 3 385.384 0.919 20 0 GCADHM COc1ccc(C=CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1OC ZINC000737080596 598293184 /nfs/dbraw/zinc/29/31/84/598293184.db2.gz DBZFJASKNSDMIC-XQRVVYSFSA-N -1 3 385.384 0.919 20 0 GCADHM COc1ccc(C=CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1OC ZINC000737080595 598293333 /nfs/dbraw/zinc/29/33/33/598293333.db2.gz DBZFJASKNSDMIC-GQCTYLIASA-N -1 3 385.384 0.919 20 0 GCADHM COc1ccc(C=CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1OC ZINC000737080595 598293335 /nfs/dbraw/zinc/29/33/35/598293335.db2.gz DBZFJASKNSDMIC-GQCTYLIASA-N -1 3 385.384 0.919 20 0 GCADHM COc1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c(OC)c1OC ZINC000737071836 598293339 /nfs/dbraw/zinc/29/33/39/598293339.db2.gz NHLJATYAOQMOCJ-UHFFFAOYSA-N -1 3 389.372 0.528 20 0 GCADHM COc1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c(OC)c1OC ZINC000737071836 598293342 /nfs/dbraw/zinc/29/33/42/598293342.db2.gz NHLJATYAOQMOCJ-UHFFFAOYSA-N -1 3 389.372 0.528 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCN1C(=O)COc2ccccc21 ZINC000737770553 598293843 /nfs/dbraw/zinc/29/38/43/598293843.db2.gz KWZBILDXDSZJTM-UHFFFAOYSA-N -1 3 398.383 0.004 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCN1C(=O)COc2ccccc21 ZINC000737770553 598293845 /nfs/dbraw/zinc/29/38/45/598293845.db2.gz KWZBILDXDSZJTM-UHFFFAOYSA-N -1 3 398.383 0.004 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000737771429 598293867 /nfs/dbraw/zinc/29/38/67/598293867.db2.gz RCPYKYICYPXVMT-UHFFFAOYSA-N -1 3 398.305 0.839 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000737771429 598293869 /nfs/dbraw/zinc/29/38/69/598293869.db2.gz RCPYKYICYPXVMT-UHFFFAOYSA-N -1 3 398.305 0.839 20 0 GCADHM CCCc1noc(CCCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)n1 ZINC000736499366 598294583 /nfs/dbraw/zinc/29/45/83/598294583.db2.gz CXQACKKBGMESMQ-UHFFFAOYSA-N -1 3 375.393 0.547 20 0 GCADHM CCCc1noc(CCCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)n1 ZINC000736499366 598294584 /nfs/dbraw/zinc/29/45/84/598294584.db2.gz CXQACKKBGMESMQ-UHFFFAOYSA-N -1 3 375.393 0.547 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000737769726 598294836 /nfs/dbraw/zinc/29/48/36/598294836.db2.gz CNBQPBXIXNNOQV-UHFFFAOYSA-N -1 3 379.384 0.617 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cc1ccc(-n2cccn2)cc1 ZINC000737769726 598294838 /nfs/dbraw/zinc/29/48/38/598294838.db2.gz CNBQPBXIXNNOQV-UHFFFAOYSA-N -1 3 379.384 0.617 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N[C@H]1CCCNC1=O ZINC000738086022 598294937 /nfs/dbraw/zinc/29/49/37/598294937.db2.gz RYKUPACJNFZCLM-ZDUSSCGKSA-N -1 3 375.458 0.678 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N[C@H]1CCCNC1=O ZINC000738086022 598294939 /nfs/dbraw/zinc/29/49/39/598294939.db2.gz RYKUPACJNFZCLM-ZDUSSCGKSA-N -1 3 375.458 0.678 20 0 GCADHM COc1ccc2c(c1)OC[C@H](C(=O)OCCn1ncc(-c3nnn[n-]3)c1N)C2 ZINC000737119333 598295107 /nfs/dbraw/zinc/29/51/07/598295107.db2.gz ORBAHUJJMIZXOQ-LLVKDONJSA-N -1 3 385.384 0.449 20 0 GCADHM COc1ccc2c(c1)OC[C@H](C(=O)OCCn1ncc(-c3nn[n-]n3)c1N)C2 ZINC000737119333 598295108 /nfs/dbraw/zinc/29/51/08/598295108.db2.gz ORBAHUJJMIZXOQ-LLVKDONJSA-N -1 3 385.384 0.449 20 0 GCADHM Cc1ccc(-n2cc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)nn2)cc1 ZINC000737303370 598295216 /nfs/dbraw/zinc/29/52/16/598295216.db2.gz KAYRMPIHRCGIDO-UHFFFAOYSA-N -1 3 380.372 0.392 20 0 GCADHM Cc1ccc(-n2cc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)nn2)cc1 ZINC000737303370 598295217 /nfs/dbraw/zinc/29/52/17/598295217.db2.gz KAYRMPIHRCGIDO-UHFFFAOYSA-N -1 3 380.372 0.392 20 0 GCADHM CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736431758 598295242 /nfs/dbraw/zinc/29/52/42/598295242.db2.gz RUIDYAVCYFUMFE-NSHDSACASA-N -1 3 394.436 0.882 20 0 GCADHM CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736431758 598295244 /nfs/dbraw/zinc/29/52/44/598295244.db2.gz RUIDYAVCYFUMFE-NSHDSACASA-N -1 3 394.436 0.882 20 0 GCADHM C[C@@H]1Oc2c(cccc2C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)NC1=O ZINC000736302126 598295436 /nfs/dbraw/zinc/29/54/36/598295436.db2.gz QEEHOKYDXZJKMB-QMMMGPOBSA-N -1 3 384.356 0.222 20 0 GCADHM C[C@@H]1Oc2c(cccc2C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)NC1=O ZINC000736302126 598295438 /nfs/dbraw/zinc/29/54/38/598295438.db2.gz QEEHOKYDXZJKMB-QMMMGPOBSA-N -1 3 384.356 0.222 20 0 GCADHM C[C@]1(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2)NC(=O)NC1=O ZINC000736221786 598297107 /nfs/dbraw/zinc/29/71/07/598297107.db2.gz AEPGHJQEGUDWFF-LJQANCHMSA-N -1 3 391.391 0.851 20 0 GCADHM C[C@]1(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2)NC(=O)NC1=O ZINC000736221786 598297109 /nfs/dbraw/zinc/29/71/09/598297109.db2.gz AEPGHJQEGUDWFF-LJQANCHMSA-N -1 3 391.391 0.851 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737198028 598297893 /nfs/dbraw/zinc/29/78/93/598297893.db2.gz DJNNKUMUHXLNHI-UHFFFAOYSA-N -1 3 382.359 0.509 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737198028 598297895 /nfs/dbraw/zinc/29/78/95/598297895.db2.gz DJNNKUMUHXLNHI-UHFFFAOYSA-N -1 3 382.359 0.509 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000735622772 598299659 /nfs/dbraw/zinc/29/96/59/598299659.db2.gz FEIMDLICKQOQBJ-LLVKDONJSA-N -1 3 396.498 0.845 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000735622772 598299660 /nfs/dbraw/zinc/29/96/60/598299660.db2.gz FEIMDLICKQOQBJ-LLVKDONJSA-N -1 3 396.498 0.845 20 0 GCADHM CCCCNC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736457892 598300324 /nfs/dbraw/zinc/30/03/24/598300324.db2.gz ROYYQCGTHAZJPX-GFCCVEGCSA-N -1 3 396.498 0.847 20 0 GCADHM CCCCNC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736457892 598300326 /nfs/dbraw/zinc/30/03/26/598300326.db2.gz ROYYQCGTHAZJPX-GFCCVEGCSA-N -1 3 396.498 0.847 20 0 GCADHM CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000735857739 598300597 /nfs/dbraw/zinc/30/05/97/598300597.db2.gz YFCDGZGNLSBDMW-GFCCVEGCSA-N -1 3 396.498 0.797 20 0 GCADHM CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000735857739 598300599 /nfs/dbraw/zinc/30/05/99/598300599.db2.gz YFCDGZGNLSBDMW-GFCCVEGCSA-N -1 3 396.498 0.797 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738343627 598301004 /nfs/dbraw/zinc/30/10/04/598301004.db2.gz SMYHNUHRJNWPDU-QWRGUYRKSA-N -1 3 398.876 0.662 20 0 GCADHM O=C(Nc1cccnc1)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738195215 598306021 /nfs/dbraw/zinc/30/60/21/598306021.db2.gz JLRRTMJESIZBLD-UHFFFAOYSA-N -1 3 378.396 0.549 20 0 GCADHM O=C(Nc1cccnc1)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738195215 598306023 /nfs/dbraw/zinc/30/60/23/598306023.db2.gz JLRRTMJESIZBLD-UHFFFAOYSA-N -1 3 378.396 0.549 20 0 GCADHM NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737758588 598308886 /nfs/dbraw/zinc/30/88/86/598308886.db2.gz NQVIZULDJQOJTP-HNNXBMFYSA-N -1 3 383.387 0.902 20 0 GCADHM NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737758588 598308888 /nfs/dbraw/zinc/30/88/88/598308888.db2.gz NQVIZULDJQOJTP-HNNXBMFYSA-N -1 3 383.387 0.902 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000737765864 598309265 /nfs/dbraw/zinc/30/92/65/598309265.db2.gz QHPQMIWOEKAVGZ-UHFFFAOYSA-N -1 3 396.429 0.574 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000737765864 598309267 /nfs/dbraw/zinc/30/92/67/598309267.db2.gz QHPQMIWOEKAVGZ-UHFFFAOYSA-N -1 3 396.429 0.574 20 0 GCADHM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1=O ZINC000735875518 598312317 /nfs/dbraw/zinc/31/23/17/598312317.db2.gz OCLYXAPMOWKDCN-SECBINFHSA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1=O ZINC000735875518 598312318 /nfs/dbraw/zinc/31/23/18/598312318.db2.gz OCLYXAPMOWKDCN-SECBINFHSA-N -1 3 384.849 0.808 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCN(C(N)=O)CC1 ZINC000735550529 598312390 /nfs/dbraw/zinc/31/23/90/598312390.db2.gz JMHPVDKIPKAHRT-SNVBAGLBSA-N -1 3 392.851 0.934 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCN(C(N)=O)CC1 ZINC000735550529 598312392 /nfs/dbraw/zinc/31/23/92/598312392.db2.gz JMHPVDKIPKAHRT-SNVBAGLBSA-N -1 3 392.851 0.934 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737437958 598313046 /nfs/dbraw/zinc/31/30/46/598313046.db2.gz VTJWPBUNBPDNNE-HNNXBMFYSA-N -1 3 397.439 0.880 20 0 GCADHM CN(CCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC000736801854 598319334 /nfs/dbraw/zinc/31/93/34/598319334.db2.gz VXPUBEGHYZXTKM-UHFFFAOYSA-N -1 3 385.425 0.087 20 0 GCADHM CN(CCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC000736801854 598319335 /nfs/dbraw/zinc/31/93/35/598319335.db2.gz VXPUBEGHYZXTKM-UHFFFAOYSA-N -1 3 385.425 0.087 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736658622 598319383 /nfs/dbraw/zinc/31/93/83/598319383.db2.gz GLOGICRUKJNJAN-UHFFFAOYSA-N -1 3 399.452 0.477 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736658622 598319385 /nfs/dbraw/zinc/31/93/85/598319385.db2.gz GLOGICRUKJNJAN-UHFFFAOYSA-N -1 3 399.452 0.477 20 0 GCADHM CCc1nc(CCNC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000736700561 598320708 /nfs/dbraw/zinc/32/07/08/598320708.db2.gz VLHDHAVOFURZGM-UHFFFAOYSA-N -1 3 397.443 0.886 20 0 GCADHM CCc1nc(CCNC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000736700561 598320710 /nfs/dbraw/zinc/32/07/10/598320710.db2.gz VLHDHAVOFURZGM-UHFFFAOYSA-N -1 3 397.443 0.886 20 0 GCADHM NC(=O)c1ccc(NC(=S)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737760627 598321185 /nfs/dbraw/zinc/32/11/85/598321185.db2.gz PILZMEMOMSCIID-UHFFFAOYSA-N -1 3 383.441 0.759 20 0 GCADHM NC(=O)c1ccc(NC(=S)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737760627 598321186 /nfs/dbraw/zinc/32/11/86/598321186.db2.gz PILZMEMOMSCIID-UHFFFAOYSA-N -1 3 383.441 0.759 20 0 GCADHM CCOC(=O)N1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736600978 598328815 /nfs/dbraw/zinc/32/88/15/598328815.db2.gz QFVYZYQHMGMHNN-UHFFFAOYSA-N -1 3 377.380 0.990 20 0 GCADHM CCOC(=O)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736600978 598328817 /nfs/dbraw/zinc/32/88/17/598328817.db2.gz QFVYZYQHMGMHNN-UHFFFAOYSA-N -1 3 377.380 0.990 20 0 GCADHM CCc1nc(CCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)no1 ZINC000736699678 598329789 /nfs/dbraw/zinc/32/97/89/598329789.db2.gz NGKIJELWMZBFEZ-UHFFFAOYSA-N -1 3 390.791 0.763 20 0 GCADHM CCc1nc(CCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)no1 ZINC000736699678 598329791 /nfs/dbraw/zinc/32/97/91/598329791.db2.gz NGKIJELWMZBFEZ-UHFFFAOYSA-N -1 3 390.791 0.763 20 0 GCADHM CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736877435 598329801 /nfs/dbraw/zinc/32/98/01/598329801.db2.gz LCATZHFJUWMQBB-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736877435 598329803 /nfs/dbraw/zinc/32/98/03/598329803.db2.gz LCATZHFJUWMQBB-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM NC(=O)[C@H]1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737746280 598330820 /nfs/dbraw/zinc/33/08/20/598330820.db2.gz QTKNUKDUZJOEBM-LBPRGKRZSA-N -1 3 382.380 0.986 20 0 GCADHM NC(=O)[C@H]1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737746280 598330821 /nfs/dbraw/zinc/33/08/21/598330821.db2.gz QTKNUKDUZJOEBM-LBPRGKRZSA-N -1 3 382.380 0.986 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736510041 598332544 /nfs/dbraw/zinc/33/25/44/598332544.db2.gz OJBYERDZBAKMLZ-GFCCVEGCSA-N -1 3 376.442 0.625 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736510041 598332545 /nfs/dbraw/zinc/33/25/45/598332545.db2.gz OJBYERDZBAKMLZ-GFCCVEGCSA-N -1 3 376.442 0.625 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCc1nnc(C)n1C ZINC000737031743 598332814 /nfs/dbraw/zinc/33/28/14/598332814.db2.gz CTKNFSSYFOSKPG-UHFFFAOYSA-N -1 3 386.416 0.788 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCc1nnc(C)n1C ZINC000737031743 598332816 /nfs/dbraw/zinc/33/28/16/598332816.db2.gz CTKNFSSYFOSKPG-UHFFFAOYSA-N -1 3 386.416 0.788 20 0 GCADHM CC(C)N1C(=O)CN(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1=O ZINC000735875598 598334055 /nfs/dbraw/zinc/33/40/55/598334055.db2.gz PGKVYCVWZWYRRP-UHFFFAOYSA-N -1 3 385.432 0.014 20 0 GCADHM CC(C)N1C(=O)CN(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1=O ZINC000735875598 598334057 /nfs/dbraw/zinc/33/40/57/598334057.db2.gz PGKVYCVWZWYRRP-UHFFFAOYSA-N -1 3 385.432 0.014 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)C[C@@H](C)O1 ZINC000736285922 598334713 /nfs/dbraw/zinc/33/47/13/598334713.db2.gz KYPRFCDKGUEJMC-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C[C@@H](C)O1 ZINC000736285922 598334716 /nfs/dbraw/zinc/33/47/16/598334716.db2.gz KYPRFCDKGUEJMC-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM COC(=O)[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C1 ZINC000736912258 598335421 /nfs/dbraw/zinc/33/54/21/598335421.db2.gz NHSVLSCUNOMPIZ-ZDUSSCGKSA-N -1 3 399.411 0.083 20 0 GCADHM COC(=O)[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000736912258 598335422 /nfs/dbraw/zinc/33/54/22/598335422.db2.gz NHSVLSCUNOMPIZ-ZDUSSCGKSA-N -1 3 399.411 0.083 20 0 GCADHM COc1cc2c(nn1)CCN(CC(=O)NCc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737056429 598341736 /nfs/dbraw/zinc/34/17/36/598341736.db2.gz VUIHOZFDYJPFOI-UHFFFAOYSA-N -1 3 380.412 0.340 20 0 GCADHM COc1cc2c(nn1)CCN(CC(=O)NCc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737056429 598341738 /nfs/dbraw/zinc/34/17/38/598341738.db2.gz VUIHOZFDYJPFOI-UHFFFAOYSA-N -1 3 380.412 0.340 20 0 GCADHM CCN1CCO[C@H](CN2CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)C1 ZINC000736567954 598343550 /nfs/dbraw/zinc/34/35/50/598343550.db2.gz HRDAJVBZJHOPKJ-ZDUSSCGKSA-N -1 3 391.501 0.407 20 0 GCADHM CCN1CCO[C@H](CN2CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)C1 ZINC000736567954 598343552 /nfs/dbraw/zinc/34/35/52/598343552.db2.gz HRDAJVBZJHOPKJ-ZDUSSCGKSA-N -1 3 391.501 0.407 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736284654 598344337 /nfs/dbraw/zinc/34/43/37/598344337.db2.gz CFQLQGVUEVNUJS-YOEHRIQHSA-N -1 3 385.472 0.344 20 0 GCADHM Cn1cc(CN2CCCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737603090 598344454 /nfs/dbraw/zinc/34/44/54/598344454.db2.gz TUURLYMNWBETFW-UHFFFAOYSA-N -1 3 380.456 0.877 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736290079 598344603 /nfs/dbraw/zinc/34/46/03/598344603.db2.gz ZQFSOMPFNIIFTL-STQMWFEESA-N -1 3 391.501 0.405 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736290079 598344605 /nfs/dbraw/zinc/34/46/05/598344605.db2.gz ZQFSOMPFNIIFTL-STQMWFEESA-N -1 3 391.501 0.405 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736284791 598344907 /nfs/dbraw/zinc/34/49/07/598344907.db2.gz GEBMXYZBCFBKTH-YOEHRIQHSA-N -1 3 385.472 0.344 20 0 GCADHM CCOCCN1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C[C@@H]1C ZINC000736618729 598345153 /nfs/dbraw/zinc/34/51/53/598345153.db2.gz MAMWWBTZMFQIRS-LBPRGKRZSA-N -1 3 379.490 0.909 20 0 GCADHM Cc1nc(SCC(=O)N2CCn3cnnc3C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483259 598345774 /nfs/dbraw/zinc/34/57/74/598345774.db2.gz MPSXOZKKELQMTD-UHFFFAOYSA-N -1 3 385.457 0.913 20 0 GCADHM Cc1nc(SCC(=O)N2CCn3cnnc3C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483259 598345776 /nfs/dbraw/zinc/34/57/76/598345776.db2.gz MPSXOZKKELQMTD-UHFFFAOYSA-N -1 3 385.457 0.913 20 0 GCADHM COC(=O)c1ccncc1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821671195 607352431 /nfs/dbraw/zinc/35/24/31/607352431.db2.gz LWNASVHFDIGTLK-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)c1ccncc1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821671195 607352432 /nfs/dbraw/zinc/35/24/32/607352432.db2.gz LWNASVHFDIGTLK-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM CC(C)c1nnc2n1CCN(CC(=O)NCc1cccc(-c3nnn[n-]3)c1)C2 ZINC000735952386 598351046 /nfs/dbraw/zinc/35/10/46/598351046.db2.gz FIRYRLQNXBYWAZ-UHFFFAOYSA-N -1 3 381.444 0.714 20 0 GCADHM CC(C)c1nnc2n1CCN(CC(=O)NCc1cccc(-c3nn[n-]n3)c1)C2 ZINC000735952386 598351048 /nfs/dbraw/zinc/35/10/48/598351048.db2.gz FIRYRLQNXBYWAZ-UHFFFAOYSA-N -1 3 381.444 0.714 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000735561774 598352327 /nfs/dbraw/zinc/35/23/27/598352327.db2.gz LNEHLHAEAQMSIV-XJKSGUPXSA-N -1 3 382.428 0.791 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000735561774 598352329 /nfs/dbraw/zinc/35/23/29/598352329.db2.gz LNEHLHAEAQMSIV-XJKSGUPXSA-N -1 3 382.428 0.791 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000735561771 598352489 /nfs/dbraw/zinc/35/24/89/598352489.db2.gz LNEHLHAEAQMSIV-BBRMVZONSA-N -1 3 382.428 0.791 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000735561771 598352490 /nfs/dbraw/zinc/35/24/90/598352490.db2.gz LNEHLHAEAQMSIV-BBRMVZONSA-N -1 3 382.428 0.791 20 0 GCADHM Cc1oc(NC(=O)CN2CCO[C@H](Cn3cccn3)C2)c(-c2nnn[n-]2)c1C ZINC000737552412 598354217 /nfs/dbraw/zinc/35/42/17/598354217.db2.gz PIJCIKDDHNMPEU-ZDUSSCGKSA-N -1 3 386.416 0.613 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000736131800 598356054 /nfs/dbraw/zinc/35/60/54/598356054.db2.gz SCAFDONQZIWLBJ-NWDGAFQWSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000736131800 598356056 /nfs/dbraw/zinc/35/60/56/598356056.db2.gz SCAFDONQZIWLBJ-NWDGAFQWSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000736185068 598361663 /nfs/dbraw/zinc/36/16/63/598361663.db2.gz SKURXOQXZBWLAW-CQSZACIVSA-N -1 3 396.455 0.712 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000736185068 598361665 /nfs/dbraw/zinc/36/16/65/598361665.db2.gz SKURXOQXZBWLAW-CQSZACIVSA-N -1 3 396.455 0.712 20 0 GCADHM O=C(NCCn1cncn1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738094816 598362363 /nfs/dbraw/zinc/36/23/63/598362363.db2.gz LIPWYSVDWDEMJL-UHFFFAOYSA-N -1 3 386.395 0.129 20 0 GCADHM O=C(NCCn1cncn1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738094816 598362365 /nfs/dbraw/zinc/36/23/65/598362365.db2.gz LIPWYSVDWDEMJL-UHFFFAOYSA-N -1 3 386.395 0.129 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCc2ccccc21 ZINC000738037659 598363993 /nfs/dbraw/zinc/36/39/93/598363993.db2.gz GALPUWLYOKBOPB-UHFFFAOYSA-N -1 3 391.391 0.511 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc21 ZINC000738037659 598363995 /nfs/dbraw/zinc/36/39/95/598363995.db2.gz GALPUWLYOKBOPB-UHFFFAOYSA-N -1 3 391.391 0.511 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737760135 598364076 /nfs/dbraw/zinc/36/40/76/598364076.db2.gz GHHZMBYYCFWXFD-UHFFFAOYSA-N -1 3 379.380 0.263 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737760135 598364078 /nfs/dbraw/zinc/36/40/78/598364078.db2.gz GHHZMBYYCFWXFD-UHFFFAOYSA-N -1 3 379.380 0.263 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(CC(=O)NCc1cccc(-c3nnn[n-]3)c1)C2 ZINC000736772045 598364304 /nfs/dbraw/zinc/36/43/04/598364304.db2.gz ACSYNZLVAGCGER-UHFFFAOYSA-N -1 3 393.455 0.397 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(CC(=O)NCc1cccc(-c3nn[n-]n3)c1)C2 ZINC000736772045 598364305 /nfs/dbraw/zinc/36/43/05/598364305.db2.gz ACSYNZLVAGCGER-UHFFFAOYSA-N -1 3 393.455 0.397 20 0 GCADHM CCn1ccnc1CN1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736723934 598364346 /nfs/dbraw/zinc/36/43/46/598364346.db2.gz YFEFCOKSMCLVGF-UHFFFAOYSA-N -1 3 395.471 0.839 20 0 GCADHM CCn1ccnc1CN1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736723934 598364347 /nfs/dbraw/zinc/36/43/47/598364347.db2.gz YFEFCOKSMCLVGF-UHFFFAOYSA-N -1 3 395.471 0.839 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735475741 598365870 /nfs/dbraw/zinc/36/58/70/598365870.db2.gz PKHLQODXWYZLQE-UHFFFAOYSA-N -1 3 375.408 0.569 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC(C2OCCO2)CC1 ZINC000737023519 598367695 /nfs/dbraw/zinc/36/76/95/598367695.db2.gz HMNSYHWYFFTKEU-UHFFFAOYSA-N -1 3 389.412 0.866 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC(C2OCCO2)CC1 ZINC000737023519 598367698 /nfs/dbraw/zinc/36/76/98/598367698.db2.gz HMNSYHWYFFTKEU-UHFFFAOYSA-N -1 3 389.412 0.866 20 0 GCADHM O=C1[C@@H](N2CCO[C@H](Cn3cccn3)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738290198 598368896 /nfs/dbraw/zinc/36/88/96/598368896.db2.gz NSIQQPCUGBCYKU-IRXDYDNUSA-N -1 3 394.439 0.570 20 0 GCADHM O=C1[C@@H](N2CCO[C@H](Cn3cccn3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738290198 598368898 /nfs/dbraw/zinc/36/88/98/598368898.db2.gz NSIQQPCUGBCYKU-IRXDYDNUSA-N -1 3 394.439 0.570 20 0 GCADHM COCCn1cnnc1SC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737017685 598371180 /nfs/dbraw/zinc/37/11/80/598371180.db2.gz ZJAHVOLVUNZWOX-LBPRGKRZSA-N -1 3 377.430 0.637 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCN1C(=O)CCC1=O ZINC000736634589 598372206 /nfs/dbraw/zinc/37/22/06/598372206.db2.gz MNHKUXZZIORYRW-UHFFFAOYSA-N -1 3 387.400 0.926 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCN1C(=O)CCC1=O ZINC000736634589 598372208 /nfs/dbraw/zinc/37/22/08/598372208.db2.gz MNHKUXZZIORYRW-UHFFFAOYSA-N -1 3 387.400 0.926 20 0 GCADHM CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735587321 598373606 /nfs/dbraw/zinc/37/36/06/598373606.db2.gz UFOHDWPYOLCCLL-CQSZACIVSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735587321 598373608 /nfs/dbraw/zinc/37/36/08/598373608.db2.gz UFOHDWPYOLCCLL-CQSZACIVSA-N -1 3 399.455 0.959 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738257548 598374730 /nfs/dbraw/zinc/37/47/30/598374730.db2.gz HEYDEDZVQLTRBU-UHFFFAOYSA-N -1 3 379.380 0.566 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738257548 598374732 /nfs/dbraw/zinc/37/47/32/598374732.db2.gz HEYDEDZVQLTRBU-UHFFFAOYSA-N -1 3 379.380 0.566 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000736186148 598376755 /nfs/dbraw/zinc/37/67/55/598376755.db2.gz XJTSBMHZFRYPMZ-CWRNSKLLSA-N -1 3 386.456 0.692 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737766647 598377484 /nfs/dbraw/zinc/37/74/84/598377484.db2.gz SZIBYFFYLRYVRG-HJWRWDBZSA-N -1 3 398.448 0.985 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737766647 598377486 /nfs/dbraw/zinc/37/74/86/598377486.db2.gz SZIBYFFYLRYVRG-HJWRWDBZSA-N -1 3 398.448 0.985 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1ccc(N2CCCC2)nn1 ZINC000738081340 598377770 /nfs/dbraw/zinc/37/77/70/598377770.db2.gz BMJICRHUZXCLBW-UHFFFAOYSA-N -1 3 380.416 0.494 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1ccc(N2CCCC2)nn1 ZINC000738081340 598377771 /nfs/dbraw/zinc/37/77/71/598377771.db2.gz BMJICRHUZXCLBW-UHFFFAOYSA-N -1 3 380.416 0.494 20 0 GCADHM COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccncc2-c2nnn[n-]2)CC1=O ZINC000737077227 598380944 /nfs/dbraw/zinc/38/09/44/598380944.db2.gz PMBSFOXJWHSXJR-LBPRGKRZSA-N -1 3 393.407 0.992 20 0 GCADHM COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccncc2-c2nn[n-]n2)CC1=O ZINC000737077227 598380946 /nfs/dbraw/zinc/38/09/46/598380946.db2.gz PMBSFOXJWHSXJR-LBPRGKRZSA-N -1 3 393.407 0.992 20 0 GCADHM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccncc1-c1nnn[n-]1)C2=O ZINC000736262950 598381261 /nfs/dbraw/zinc/38/12/61/598381261.db2.gz OHDZUTLVMQGYJP-QGHHPUGFSA-N -1 3 384.400 0.123 20 0 GCADHM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccncc1-c1nn[n-]n1)C2=O ZINC000736262950 598381263 /nfs/dbraw/zinc/38/12/63/598381263.db2.gz OHDZUTLVMQGYJP-QGHHPUGFSA-N -1 3 384.400 0.123 20 0 GCADHM Cc1nc(CN2CCN(C(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000737476079 598382822 /nfs/dbraw/zinc/38/28/22/598382822.db2.gz APXVSZQEFADGEC-GFCCVEGCSA-N -1 3 398.427 0.670 20 0 GCADHM Cc1nc(CN2CCN(C(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000737476079 598382824 /nfs/dbraw/zinc/38/28/24/598382824.db2.gz APXVSZQEFADGEC-GFCCVEGCSA-N -1 3 398.427 0.670 20 0 GCADHM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737169140 598383425 /nfs/dbraw/zinc/38/34/25/598383425.db2.gz OCNJVYBTHDIWNM-AWEZNQCLSA-N -1 3 393.473 0.209 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000738044492 598384937 /nfs/dbraw/zinc/38/49/37/598384937.db2.gz KIIJTQUOMNMTHM-CQSZACIVSA-N -1 3 387.469 0.706 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736394731 598398386 /nfs/dbraw/zinc/39/83/86/598398386.db2.gz FEGOHVOWFKUKOG-CYBMUJFWSA-N -1 3 388.428 0.771 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736394731 598398389 /nfs/dbraw/zinc/39/83/89/598398389.db2.gz FEGOHVOWFKUKOG-CYBMUJFWSA-N -1 3 388.428 0.771 20 0 GCADHM Cc1cc(C)c(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(=O)[nH]1 ZINC000737247571 598398381 /nfs/dbraw/zinc/39/83/81/598398381.db2.gz XYPGCNUUAXWLEP-UHFFFAOYSA-N -1 3 381.396 0.630 20 0 GCADHM Cc1cc(C)c(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]1 ZINC000737247571 598398383 /nfs/dbraw/zinc/39/83/83/598398383.db2.gz XYPGCNUUAXWLEP-UHFFFAOYSA-N -1 3 381.396 0.630 20 0 GCADHM COc1ccc(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737088646 598398724 /nfs/dbraw/zinc/39/87/24/598398724.db2.gz NPRHRYQWJYELEN-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM COc1ccc(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737088646 598398725 /nfs/dbraw/zinc/39/87/25/598398725.db2.gz NPRHRYQWJYELEN-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccccn2)CC1 ZINC000738041253 598399163 /nfs/dbraw/zinc/39/91/63/598399163.db2.gz YXOJOOVKUDUTLV-UHFFFAOYSA-N -1 3 392.423 0.340 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccccn2)CC1 ZINC000738041253 598399165 /nfs/dbraw/zinc/39/91/65/598399165.db2.gz YXOJOOVKUDUTLV-UHFFFAOYSA-N -1 3 392.423 0.340 20 0 GCADHM CN(Cc1nccn1C(F)F)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736831297 598399854 /nfs/dbraw/zinc/39/98/54/598399854.db2.gz KSXYTQJQFSHJEB-UHFFFAOYSA-N -1 3 390.354 0.847 20 0 GCADHM CN(Cc1nccn1C(F)F)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736831297 598399855 /nfs/dbraw/zinc/39/98/55/598399855.db2.gz KSXYTQJQFSHJEB-UHFFFAOYSA-N -1 3 390.354 0.847 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCNC(=O)c1ccccc1 ZINC000737889697 598400531 /nfs/dbraw/zinc/40/05/31/598400531.db2.gz PACPJLRETAEZSW-UHFFFAOYSA-N -1 3 393.407 0.143 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCNC(=O)c1ccccc1 ZINC000737889697 598400532 /nfs/dbraw/zinc/40/05/32/598400532.db2.gz PACPJLRETAEZSW-UHFFFAOYSA-N -1 3 393.407 0.143 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736876657 598401406 /nfs/dbraw/zinc/40/14/06/598401406.db2.gz AIFJUBRZPWOSGP-UHFFFAOYSA-N -1 3 393.407 0.273 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736876657 598401408 /nfs/dbraw/zinc/40/14/08/598401408.db2.gz AIFJUBRZPWOSGP-UHFFFAOYSA-N -1 3 393.407 0.273 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCOc1ccc(F)cc1 ZINC000737888486 598401935 /nfs/dbraw/zinc/40/19/35/598401935.db2.gz DAOGSPJNYLQCBE-UHFFFAOYSA-N -1 3 384.371 0.931 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCOc1ccc(F)cc1 ZINC000737888486 598401938 /nfs/dbraw/zinc/40/19/38/598401938.db2.gz DAOGSPJNYLQCBE-UHFFFAOYSA-N -1 3 384.371 0.931 20 0 GCADHM CCCNC(=O)CN(CCC)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736484083 598402691 /nfs/dbraw/zinc/40/26/91/598402691.db2.gz SIIALPNCABYSTH-UHFFFAOYSA-N -1 3 387.444 0.361 20 0 GCADHM CCCNC(=O)CN(CCC)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736484083 598402692 /nfs/dbraw/zinc/40/26/92/598402692.db2.gz SIIALPNCABYSTH-UHFFFAOYSA-N -1 3 387.444 0.361 20 0 GCADHM COc1ccccc1[C@H](O)CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737147752 598403465 /nfs/dbraw/zinc/40/34/65/598403465.db2.gz NZKZOENDALHFAV-OAHLLOKOSA-N -1 3 396.407 0.455 20 0 GCADHM COc1ccccc1[C@H](O)CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737147752 598403466 /nfs/dbraw/zinc/40/34/66/598403466.db2.gz NZKZOENDALHFAV-OAHLLOKOSA-N -1 3 396.407 0.455 20 0 GCADHM CN(Cc1cccc(C(N)=O)c1)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736821418 598404687 /nfs/dbraw/zinc/40/46/87/598404687.db2.gz GCFTTWBKGDORRD-UHFFFAOYSA-N -1 3 393.407 0.354 20 0 GCADHM CN(Cc1cccc(C(N)=O)c1)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736821418 598404688 /nfs/dbraw/zinc/40/46/88/598404688.db2.gz GCFTTWBKGDORRD-UHFFFAOYSA-N -1 3 393.407 0.354 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccco1 ZINC000736106369 598405657 /nfs/dbraw/zinc/40/56/57/598405657.db2.gz SUAXCNJJIYVXSU-LLVKDONJSA-N -1 3 397.395 0.011 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccco1 ZINC000736106369 598405658 /nfs/dbraw/zinc/40/56/58/598405658.db2.gz SUAXCNJJIYVXSU-LLVKDONJSA-N -1 3 397.395 0.011 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000737889120 598406219 /nfs/dbraw/zinc/40/62/19/598406219.db2.gz KDULWNJTAVWWQE-GFCCVEGCSA-N -1 3 397.361 0.349 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000737889120 598406221 /nfs/dbraw/zinc/40/62/21/598406221.db2.gz KDULWNJTAVWWQE-GFCCVEGCSA-N -1 3 397.361 0.349 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000735466860 598409338 /nfs/dbraw/zinc/40/93/38/598409338.db2.gz JGPWGHDPJONIGP-SECBINFHSA-N -1 3 382.427 0.331 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000735466860 598409340 /nfs/dbraw/zinc/40/93/40/598409340.db2.gz JGPWGHDPJONIGP-SECBINFHSA-N -1 3 382.427 0.331 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000737735971 598410325 /nfs/dbraw/zinc/41/03/25/598410325.db2.gz FVFOFLOAHLJCTP-HNNXBMFYSA-N -1 3 398.354 0.505 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000737735971 598410326 /nfs/dbraw/zinc/41/03/26/598410326.db2.gz FVFOFLOAHLJCTP-HNNXBMFYSA-N -1 3 398.354 0.505 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)OC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)on1 ZINC000737272195 598411505 /nfs/dbraw/zinc/41/15/05/598411505.db2.gz QHEOSWYEPIAIRZ-JTQLQIEISA-N -1 3 399.367 0.463 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)OC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)on1 ZINC000737272195 598411506 /nfs/dbraw/zinc/41/15/06/598411506.db2.gz QHEOSWYEPIAIRZ-JTQLQIEISA-N -1 3 399.367 0.463 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCN1CCCCC1=O ZINC000737288189 598413638 /nfs/dbraw/zinc/41/36/38/598413638.db2.gz JIGVEOXLLSHKHF-UHFFFAOYSA-N -1 3 385.428 0.632 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCN1CCCCC1=O ZINC000737288189 598413641 /nfs/dbraw/zinc/41/36/41/598413641.db2.gz JIGVEOXLLSHKHF-UHFFFAOYSA-N -1 3 385.428 0.632 20 0 GCADHM CC1CCC2(CC1)NC(=O)N(NC(=O)CNc1ccc(-c3nn[n-]n3)cc1)C2=O ZINC000736244827 598415848 /nfs/dbraw/zinc/41/58/48/598415848.db2.gz OAQSOGYLOXBQED-UHFFFAOYSA-N -1 3 398.427 0.811 20 0 GCADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)NCCNS(C)(=O)=O ZINC000735873254 598416791 /nfs/dbraw/zinc/41/67/91/598416791.db2.gz DMNDEWUVMUNXPW-UHFFFAOYSA-N -1 3 397.530 0.501 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)NCCNS(C)(=O)=O ZINC000735873254 598416792 /nfs/dbraw/zinc/41/67/92/598416792.db2.gz DMNDEWUVMUNXPW-UHFFFAOYSA-N -1 3 397.530 0.501 20 0 GCADHM CS(=O)(=O)NCCNC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737168254 598417212 /nfs/dbraw/zinc/41/72/12/598417212.db2.gz IGTAKXKKTLUTNU-UHFFFAOYSA-N -1 3 395.514 0.255 20 0 GCADHM CS(=O)(=O)NCCNC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737168254 598417214 /nfs/dbraw/zinc/41/72/14/598417214.db2.gz IGTAKXKKTLUTNU-UHFFFAOYSA-N -1 3 395.514 0.255 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000737023878 598417990 /nfs/dbraw/zinc/41/79/90/598417990.db2.gz OGWYLMTVESPZSN-LBPRGKRZSA-N -1 3 384.400 0.285 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000737023878 598417991 /nfs/dbraw/zinc/41/79/91/598417991.db2.gz OGWYLMTVESPZSN-LBPRGKRZSA-N -1 3 384.400 0.285 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736912126 598421622 /nfs/dbraw/zinc/42/16/22/598421622.db2.gz YZQDPTONQIIRNZ-SECBINFHSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736912126 598421623 /nfs/dbraw/zinc/42/16/23/598421623.db2.gz YZQDPTONQIIRNZ-SECBINFHSA-N -1 3 392.803 0.870 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN(C[C@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000737548348 598427118 /nfs/dbraw/zinc/42/71/18/598427118.db2.gz OTEAPCKTJLNFNJ-CMPLNLGQSA-N -1 3 377.449 0.402 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN(C[C@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000737548349 598427295 /nfs/dbraw/zinc/42/72/95/598427295.db2.gz OTEAPCKTJLNFNJ-JQWIXIFHSA-N -1 3 377.449 0.402 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C(N)=O ZINC000735733721 598427946 /nfs/dbraw/zinc/42/79/46/598427946.db2.gz JCRRBHFAUZHBRF-JTQLQIEISA-N -1 3 392.363 0.674 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C(N)=O ZINC000735733721 598427947 /nfs/dbraw/zinc/42/79/47/598427947.db2.gz JCRRBHFAUZHBRF-JTQLQIEISA-N -1 3 392.363 0.674 20 0 GCADHM O=C(NCCS(=O)(=O)N1CCSCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738086082 598429484 /nfs/dbraw/zinc/42/94/84/598429484.db2.gz SOVDXRXTICDOST-UHFFFAOYSA-N -1 3 397.486 0.367 20 0 GCADHM O=C(NCCS(=O)(=O)N1CCSCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738086082 598429485 /nfs/dbraw/zinc/42/94/85/598429485.db2.gz SOVDXRXTICDOST-UHFFFAOYSA-N -1 3 397.486 0.367 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738099318 598430872 /nfs/dbraw/zinc/43/08/72/598430872.db2.gz GKXDSCBXCFPCDS-UHFFFAOYSA-N -1 3 394.374 0.981 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738099318 598430874 /nfs/dbraw/zinc/43/08/74/598430874.db2.gz GKXDSCBXCFPCDS-UHFFFAOYSA-N -1 3 394.374 0.981 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000735562775 598432321 /nfs/dbraw/zinc/43/23/21/598432321.db2.gz RNLPULRFWLWJMC-ZDUSSCGKSA-N -1 3 398.471 0.090 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000735562775 598432323 /nfs/dbraw/zinc/43/23/23/598432323.db2.gz RNLPULRFWLWJMC-ZDUSSCGKSA-N -1 3 398.471 0.090 20 0 GCADHM CCN(CC)C(=O)CN(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736524938 598432537 /nfs/dbraw/zinc/43/25/37/598432537.db2.gz XLWDBZOETJGSSN-UHFFFAOYSA-N -1 3 397.443 0.575 20 0 GCADHM CCN(CC)C(=O)CN(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736524938 598432539 /nfs/dbraw/zinc/43/25/39/598432539.db2.gz XLWDBZOETJGSSN-UHFFFAOYSA-N -1 3 397.443 0.575 20 0 GCADHM NC(=O)c1ccccc1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737759427 598433379 /nfs/dbraw/zinc/43/33/79/598433379.db2.gz ASAIGBJXRUKTKP-UHFFFAOYSA-N -1 3 389.379 0.986 20 0 GCADHM NC(=O)c1ccccc1NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737759427 598433381 /nfs/dbraw/zinc/43/33/81/598433381.db2.gz ASAIGBJXRUKTKP-UHFFFAOYSA-N -1 3 389.379 0.986 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736098713 598433699 /nfs/dbraw/zinc/43/36/99/598433699.db2.gz SVCQRSCEEULNTM-SNVBAGLBSA-N -1 3 379.388 0.045 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736098713 598433700 /nfs/dbraw/zinc/43/37/00/598433700.db2.gz SVCQRSCEEULNTM-SNVBAGLBSA-N -1 3 379.388 0.045 20 0 GCADHM COC(=O)CCCN(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736913350 598434622 /nfs/dbraw/zinc/43/46/22/598434622.db2.gz NLSVPDGMQSINBF-UHFFFAOYSA-N -1 3 384.400 0.660 20 0 GCADHM COC(=O)CCCN(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736913350 598434624 /nfs/dbraw/zinc/43/46/24/598434624.db2.gz NLSVPDGMQSINBF-UHFFFAOYSA-N -1 3 384.400 0.660 20 0 GCADHM CCCCn1c(N)c(N(CC)C(=O)c2ccc(-c3nnn[n-]3)cn2)c(=O)[nH]c1=O ZINC000736469241 598436156 /nfs/dbraw/zinc/43/61/56/598436156.db2.gz MZFMFTXLSQOVAT-UHFFFAOYSA-N -1 3 399.415 0.573 20 0 GCADHM CCCCn1c(N)c(N(CC)C(=O)c2ccc(-c3nn[n-]n3)cn2)c(=O)[nH]c1=O ZINC000736469241 598436157 /nfs/dbraw/zinc/43/61/57/598436157.db2.gz MZFMFTXLSQOVAT-UHFFFAOYSA-N -1 3 399.415 0.573 20 0 GCADHM COC(=O)N1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736937102 598436147 /nfs/dbraw/zinc/43/61/47/598436147.db2.gz UYWIKHSRFGVNAU-UHFFFAOYSA-N -1 3 397.399 0.159 20 0 GCADHM COC(=O)N1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000736937102 598436148 /nfs/dbraw/zinc/43/61/48/598436148.db2.gz UYWIKHSRFGVNAU-UHFFFAOYSA-N -1 3 397.399 0.159 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCc3n[nH]cc3C2)cc1 ZINC000737778278 598437290 /nfs/dbraw/zinc/43/72/90/598437290.db2.gz YOAQXEROSMZKKD-UHFFFAOYSA-N -1 3 376.384 0.556 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCc3n[nH]cc3C2)cc1 ZINC000737778278 598437291 /nfs/dbraw/zinc/43/72/91/598437291.db2.gz YOAQXEROSMZKKD-UHFFFAOYSA-N -1 3 376.384 0.556 20 0 GCADHM C[C@H]1CN(CCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCO1 ZINC000736288629 598437474 /nfs/dbraw/zinc/43/74/74/598437474.db2.gz SFMUBVYJDGUWMQ-LBPRGKRZSA-N -1 3 397.443 0.085 20 0 GCADHM C[C@H]1CN(CCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCO1 ZINC000736288629 598437476 /nfs/dbraw/zinc/43/74/76/598437476.db2.gz SFMUBVYJDGUWMQ-LBPRGKRZSA-N -1 3 397.443 0.085 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCC(=O)OCC2CC2)cc1 ZINC000737776378 598439040 /nfs/dbraw/zinc/43/90/40/598439040.db2.gz LNRZUXKSDNVKNE-UHFFFAOYSA-N -1 3 382.384 0.318 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCC(=O)OCC2CC2)cc1 ZINC000737776378 598439042 /nfs/dbraw/zinc/43/90/42/598439042.db2.gz LNRZUXKSDNVKNE-UHFFFAOYSA-N -1 3 382.384 0.318 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736905753 598444362 /nfs/dbraw/zinc/44/43/62/598444362.db2.gz CLDKVBPKBTZPRP-HUUCEWRRSA-N -1 3 398.423 0.853 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736905753 598444364 /nfs/dbraw/zinc/44/43/64/598444364.db2.gz CLDKVBPKBTZPRP-HUUCEWRRSA-N -1 3 398.423 0.853 20 0 GCADHM NC(=O)c1ccc(-c2nnn(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737755827 598447646 /nfs/dbraw/zinc/44/76/46/598447646.db2.gz RMJWIWMTAMWKRL-UHFFFAOYSA-N -1 3 390.367 0.258 20 0 GCADHM NC(=O)c1ccc(-c2nnn(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737755827 598447647 /nfs/dbraw/zinc/44/76/47/598447647.db2.gz RMJWIWMTAMWKRL-UHFFFAOYSA-N -1 3 390.367 0.258 20 0 GCADHM NC(=O)c1ccc(-c2nnn(CC(=O)Nc3sccc3-c3nnn[n-]3)n2)cc1 ZINC000737754077 598447696 /nfs/dbraw/zinc/44/76/96/598447696.db2.gz CEDSUQKXQVYYAJ-UHFFFAOYSA-N -1 3 396.396 0.319 20 0 GCADHM NC(=O)c1ccc(-c2nnn(CC(=O)Nc3sccc3-c3nn[n-]n3)n2)cc1 ZINC000737754077 598447698 /nfs/dbraw/zinc/44/76/98/598447698.db2.gz CEDSUQKXQVYYAJ-UHFFFAOYSA-N -1 3 396.396 0.319 20 0 GCADHM Cc1cc(C)n(CC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737254775 598448982 /nfs/dbraw/zinc/44/89/82/598448982.db2.gz DLRHHAPMJJLRFS-UHFFFAOYSA-N -1 3 381.444 0.860 20 0 GCADHM Cc1cc(C)n(CC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737254775 598448984 /nfs/dbraw/zinc/44/89/84/598448984.db2.gz DLRHHAPMJJLRFS-UHFFFAOYSA-N -1 3 381.444 0.860 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccno2)CC1 ZINC000738348593 598452567 /nfs/dbraw/zinc/45/25/67/598452567.db2.gz VJGXZIOWMGSXCF-UHFFFAOYSA-N -1 3 375.414 0.361 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccno2)CC1 ZINC000738348593 598452570 /nfs/dbraw/zinc/45/25/70/598452570.db2.gz VJGXZIOWMGSXCF-UHFFFAOYSA-N -1 3 375.414 0.361 20 0 GCADHM CCCC(=O)N1CSC[C@@H]1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736412502 598453247 /nfs/dbraw/zinc/45/32/47/598453247.db2.gz QFDJSEKLTATJJG-GFCCVEGCSA-N -1 3 390.473 0.491 20 0 GCADHM CCCC(=O)N1CSC[C@@H]1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736412502 598453249 /nfs/dbraw/zinc/45/32/49/598453249.db2.gz QFDJSEKLTATJJG-GFCCVEGCSA-N -1 3 390.473 0.491 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC000737761028 598456452 /nfs/dbraw/zinc/45/64/52/598456452.db2.gz SRZXVBIFKFVMJC-UHFFFAOYSA-N -1 3 393.411 0.154 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC000737761028 598456454 /nfs/dbraw/zinc/45/64/54/598456454.db2.gz SRZXVBIFKFVMJC-UHFFFAOYSA-N -1 3 393.411 0.154 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736265446 598457625 /nfs/dbraw/zinc/45/76/25/598457625.db2.gz AVVPBIAWRWGUQE-AWEZNQCLSA-N -1 3 398.471 0.421 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736265446 598457628 /nfs/dbraw/zinc/45/76/28/598457628.db2.gz AVVPBIAWRWGUQE-AWEZNQCLSA-N -1 3 398.471 0.421 20 0 GCADHM CS(=O)(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC000737165762 598458465 /nfs/dbraw/zinc/45/84/65/598458465.db2.gz NURALHKYVMEZLF-UHFFFAOYSA-N -1 3 379.446 0.244 20 0 GCADHM CS(=O)(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC000737165762 598458466 /nfs/dbraw/zinc/45/84/66/598458466.db2.gz NURALHKYVMEZLF-UHFFFAOYSA-N -1 3 379.446 0.244 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCCCC1 ZINC000737873763 598458488 /nfs/dbraw/zinc/45/84/88/598458488.db2.gz POSILEGBUOIBJR-UHFFFAOYSA-N -1 3 384.444 0.032 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCCCC1 ZINC000737873763 598458489 /nfs/dbraw/zinc/45/84/89/598458489.db2.gz POSILEGBUOIBJR-UHFFFAOYSA-N -1 3 384.444 0.032 20 0 GCADHM COC(=O)NCCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736938230 598459743 /nfs/dbraw/zinc/45/97/43/598459743.db2.gz RLKQFVQHOJGFHD-UHFFFAOYSA-N -1 3 377.380 0.401 20 0 GCADHM COC(=O)NCCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736938230 598459744 /nfs/dbraw/zinc/45/97/44/598459744.db2.gz RLKQFVQHOJGFHD-UHFFFAOYSA-N -1 3 377.380 0.401 20 0 GCADHM O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738183350 598460146 /nfs/dbraw/zinc/46/01/46/598460146.db2.gz MGAOOEYSDSVMGM-UHFFFAOYSA-N -1 3 378.352 0.566 20 0 GCADHM O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738183350 598460148 /nfs/dbraw/zinc/46/01/48/598460148.db2.gz MGAOOEYSDSVMGM-UHFFFAOYSA-N -1 3 378.352 0.566 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000738262071 598462596 /nfs/dbraw/zinc/46/25/96/598462596.db2.gz ZMQFQESERIRNDX-UHFFFAOYSA-N -1 3 389.370 0.811 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000738262071 598462597 /nfs/dbraw/zinc/46/25/97/598462597.db2.gz ZMQFQESERIRNDX-UHFFFAOYSA-N -1 3 389.370 0.811 20 0 GCADHM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736886307 598463242 /nfs/dbraw/zinc/46/32/42/598463242.db2.gz HJZVZWHNOPACFD-SNVBAGLBSA-N -1 3 387.425 0.661 20 0 GCADHM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736886307 598463244 /nfs/dbraw/zinc/46/32/44/598463244.db2.gz HJZVZWHNOPACFD-SNVBAGLBSA-N -1 3 387.425 0.661 20 0 GCADHM O=C(CN1CCCC[C@H]1C(=O)N1CCOCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737879503 598463374 /nfs/dbraw/zinc/46/33/74/598463374.db2.gz VIWIMVNNHDANJU-INIZCTEOSA-N -1 3 399.455 0.519 20 0 GCADHM O=C(CN1CCCC[C@H]1C(=O)N1CCOCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737879503 598463376 /nfs/dbraw/zinc/46/33/76/598463376.db2.gz VIWIMVNNHDANJU-INIZCTEOSA-N -1 3 399.455 0.519 20 0 GCADHM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735963941 598464140 /nfs/dbraw/zinc/46/41/40/598464140.db2.gz RLMSLHORODHURW-ZDUSSCGKSA-N -1 3 391.501 0.964 20 0 GCADHM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735963941 598464143 /nfs/dbraw/zinc/46/41/43/598464143.db2.gz RLMSLHORODHURW-ZDUSSCGKSA-N -1 3 391.501 0.964 20 0 GCADHM CC(C)NC(=O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735885417 598468777 /nfs/dbraw/zinc/46/87/77/598468777.db2.gz ZADCXLGEDRDJJY-UHFFFAOYSA-N -1 3 387.448 0.054 20 0 GCADHM CC(C)NC(=O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735885417 598468778 /nfs/dbraw/zinc/46/87/78/598468778.db2.gz ZADCXLGEDRDJJY-UHFFFAOYSA-N -1 3 387.448 0.054 20 0 GCADHM Cn1cc(CCNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737601346 598470431 /nfs/dbraw/zinc/47/04/31/598470431.db2.gz HUPYAPNALFHYRA-UHFFFAOYSA-N -1 3 396.459 0.506 20 0 GCADHM Cn1cc(CCNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737601346 598470433 /nfs/dbraw/zinc/47/04/33/598470433.db2.gz HUPYAPNALFHYRA-UHFFFAOYSA-N -1 3 396.459 0.506 20 0 GCADHM COC(=O)CCCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736913841 598471516 /nfs/dbraw/zinc/47/15/16/598471516.db2.gz XXDPROPTJCTUPD-UHFFFAOYSA-N -1 3 388.432 0.483 20 0 GCADHM COC(=O)CCCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736913841 598471517 /nfs/dbraw/zinc/47/15/17/598471517.db2.gz XXDPROPTJCTUPD-UHFFFAOYSA-N -1 3 388.432 0.483 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@@H]1CCC[C@H](O)C1 ZINC000738031304 598471726 /nfs/dbraw/zinc/47/17/26/598471726.db2.gz DNLUSFYDBMQWPS-CABCVRRESA-N -1 3 386.460 0.833 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@@H]1CCC[C@H](O)C1 ZINC000738031304 598471729 /nfs/dbraw/zinc/47/17/29/598471729.db2.gz DNLUSFYDBMQWPS-CABCVRRESA-N -1 3 386.460 0.833 20 0 GCADHM O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738042146 598474808 /nfs/dbraw/zinc/47/48/08/598474808.db2.gz VSAZPAGHOZRBCW-JTQLQIEISA-N -1 3 376.323 0.710 20 0 GCADHM O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738042146 598474809 /nfs/dbraw/zinc/47/48/09/598474809.db2.gz VSAZPAGHOZRBCW-JTQLQIEISA-N -1 3 376.323 0.710 20 0 GCADHM CCCC[C@@H](NC(=O)NCC)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000821043998 607358155 /nfs/dbraw/zinc/35/81/55/607358155.db2.gz WZLJJXCRUXLZHJ-LLVKDONJSA-N -1 3 379.425 0.067 20 0 GCADHM CCCC[C@@H](NC(=O)NCC)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000821043998 607358156 /nfs/dbraw/zinc/35/81/56/607358156.db2.gz WZLJJXCRUXLZHJ-LLVKDONJSA-N -1 3 379.425 0.067 20 0 GCADHM CCNC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736577398 598477607 /nfs/dbraw/zinc/47/76/07/598477607.db2.gz HGASATBFVAFROY-UHFFFAOYSA-N -1 3 395.379 0.807 20 0 GCADHM CCNC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736577398 598477609 /nfs/dbraw/zinc/47/76/09/598477609.db2.gz HGASATBFVAFROY-UHFFFAOYSA-N -1 3 395.379 0.807 20 0 GCADHM CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)OC ZINC000736333202 598479758 /nfs/dbraw/zinc/47/97/58/598479758.db2.gz TYQSLACHHREDTC-RNCFNFMXSA-N -1 3 376.373 0.122 20 0 GCADHM CC[C@@H](C)[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)OC ZINC000736333202 598479759 /nfs/dbraw/zinc/47/97/59/598479759.db2.gz TYQSLACHHREDTC-RNCFNFMXSA-N -1 3 376.373 0.122 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)NC[C@H]1Cc2ccccc2O1 ZINC000737907248 598480324 /nfs/dbraw/zinc/48/03/24/598480324.db2.gz AEOLHNWPHDYTTK-CYBMUJFWSA-N -1 3 380.364 0.538 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)NC[C@H]1Cc2ccccc2O1 ZINC000737907248 598480325 /nfs/dbraw/zinc/48/03/25/598480325.db2.gz AEOLHNWPHDYTTK-CYBMUJFWSA-N -1 3 380.364 0.538 20 0 GCADHM C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736161646 598490701 /nfs/dbraw/zinc/49/07/01/598490701.db2.gz XEYTZUUQQCWNMT-JTQLQIEISA-N -1 3 380.368 0.615 20 0 GCADHM C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736161646 598490703 /nfs/dbraw/zinc/49/07/03/598490703.db2.gz XEYTZUUQQCWNMT-JTQLQIEISA-N -1 3 380.368 0.615 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735476192 598506254 /nfs/dbraw/zinc/50/62/54/598506254.db2.gz UXTGSMDKWHQKPY-CQSZACIVSA-N -1 3 378.458 0.545 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735476192 598506256 /nfs/dbraw/zinc/50/62/56/598506256.db2.gz UXTGSMDKWHQKPY-CQSZACIVSA-N -1 3 378.458 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccco1 ZINC000736128927 598506456 /nfs/dbraw/zinc/50/64/56/598506456.db2.gz AVVVJJRJSQQWJV-LLVKDONJSA-N -1 3 390.425 0.584 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccco1 ZINC000736128927 598506458 /nfs/dbraw/zinc/50/64/58/598506458.db2.gz AVVVJJRJSQQWJV-LLVKDONJSA-N -1 3 390.425 0.584 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736871929 598507330 /nfs/dbraw/zinc/50/73/30/598507330.db2.gz UOFULRMIRJUMPK-UHFFFAOYSA-N -1 3 378.458 0.591 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736871929 598507331 /nfs/dbraw/zinc/50/73/31/598507331.db2.gz UOFULRMIRJUMPK-UHFFFAOYSA-N -1 3 378.458 0.591 20 0 GCADHM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737729725 598507578 /nfs/dbraw/zinc/50/75/78/598507578.db2.gz CBPDQYXIPBZJII-HNNXBMFYSA-N -1 3 386.437 0.383 20 0 GCADHM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737729725 598507580 /nfs/dbraw/zinc/50/75/80/598507580.db2.gz CBPDQYXIPBZJII-HNNXBMFYSA-N -1 3 386.437 0.383 20 0 GCADHM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736744941 598508379 /nfs/dbraw/zinc/50/83/79/598508379.db2.gz DHFMMZHNPHGFLY-GFCCVEGCSA-N -1 3 382.471 0.160 20 0 GCADHM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736744941 598508380 /nfs/dbraw/zinc/50/83/80/598508380.db2.gz DHFMMZHNPHGFLY-GFCCVEGCSA-N -1 3 382.471 0.160 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736480187 598508389 /nfs/dbraw/zinc/50/83/89/598508389.db2.gz IBWHJDKMPJKEGV-HNNXBMFYSA-N -1 3 392.485 0.935 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736480187 598508391 /nfs/dbraw/zinc/50/83/91/598508391.db2.gz IBWHJDKMPJKEGV-HNNXBMFYSA-N -1 3 392.485 0.935 20 0 GCADHM O=C1CCCCN1CCCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000738303956 598510802 /nfs/dbraw/zinc/51/08/02/598510802.db2.gz UVLPOUKYSHAMKX-UHFFFAOYSA-N -1 3 378.458 0.689 20 0 GCADHM O=C1CCCCN1CCCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000738303956 598510803 /nfs/dbraw/zinc/51/08/03/598510803.db2.gz UVLPOUKYSHAMKX-UHFFFAOYSA-N -1 3 378.458 0.689 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CC(n2cncn2)C1 ZINC000737032246 598511046 /nfs/dbraw/zinc/51/10/46/598511046.db2.gz GVIQNUDVMOBSEG-UHFFFAOYSA-N -1 3 384.400 0.709 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CC(n2cncn2)C1 ZINC000737032246 598511047 /nfs/dbraw/zinc/51/10/47/598511047.db2.gz GVIQNUDVMOBSEG-UHFFFAOYSA-N -1 3 384.400 0.709 20 0 GCADHM COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736941232 598512717 /nfs/dbraw/zinc/51/27/17/598512717.db2.gz ZPBWITQSWYPQEI-HNNXBMFYSA-N -1 3 387.421 0.929 20 0 GCADHM COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736941232 598512718 /nfs/dbraw/zinc/51/27/18/598512718.db2.gz ZPBWITQSWYPQEI-HNNXBMFYSA-N -1 3 387.421 0.929 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737754562 598513225 /nfs/dbraw/zinc/51/32/25/598513225.db2.gz GJIUZWCXGMMGAE-HNNXBMFYSA-N -1 3 384.421 0.468 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737754562 598513227 /nfs/dbraw/zinc/51/32/27/598513227.db2.gz GJIUZWCXGMMGAE-HNNXBMFYSA-N -1 3 384.421 0.468 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCN1C(=O)CNC1=O ZINC000736634126 598514294 /nfs/dbraw/zinc/51/42/94/598514294.db2.gz IHYSHEFPTDMNCL-UHFFFAOYSA-N -1 3 388.388 0.329 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCN1C(=O)CNC1=O ZINC000736634126 598514295 /nfs/dbraw/zinc/51/42/95/598514295.db2.gz IHYSHEFPTDMNCL-UHFFFAOYSA-N -1 3 388.388 0.329 20 0 GCADHM CCn1c(C)nnc1S(=O)(=O)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736720921 598515987 /nfs/dbraw/zinc/51/59/87/598515987.db2.gz YSYKBXGISYKYAG-UHFFFAOYSA-N -1 3 376.402 0.199 20 0 GCADHM CCn1c(C)nnc1S(=O)(=O)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736720921 598515988 /nfs/dbraw/zinc/51/59/88/598515988.db2.gz YSYKBXGISYKYAG-UHFFFAOYSA-N -1 3 376.402 0.199 20 0 GCADHM CCS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736658326 598525336 /nfs/dbraw/zinc/52/53/36/598525336.db2.gz BFZLUFFIWBPWCG-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM CCS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736658326 598525337 /nfs/dbraw/zinc/52/53/37/598525337.db2.gz BFZLUFFIWBPWCG-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000737619921 598526887 /nfs/dbraw/zinc/52/68/87/598526887.db2.gz XUHMXVAUIYJOPW-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737619921 598526889 /nfs/dbraw/zinc/52/68/89/598526889.db2.gz XUHMXVAUIYJOPW-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM CC(C)C(=O)N1CCCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735685032 598532848 /nfs/dbraw/zinc/53/28/48/598532848.db2.gz ZCVQRJXQLNLSLJ-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM CC(C)C(=O)N1CCCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735685032 598532850 /nfs/dbraw/zinc/53/28/50/598532850.db2.gz ZCVQRJXQLNLSLJ-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM O=C(CCN1CCCC1=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737842864 598533225 /nfs/dbraw/zinc/53/32/25/598533225.db2.gz DMMJFEDRZMNMEN-AWEZNQCLSA-N -1 3 384.396 0.528 20 0 GCADHM O=C(CCN1CCCC1=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737842864 598533226 /nfs/dbraw/zinc/53/32/26/598533226.db2.gz DMMJFEDRZMNMEN-AWEZNQCLSA-N -1 3 384.396 0.528 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)c1cn(C)nc1C ZINC000737057065 598536309 /nfs/dbraw/zinc/53/63/09/598536309.db2.gz GILAIDFVQNOTSD-VIFPVBQESA-N -1 3 384.400 0.733 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)c1cn(C)nc1C ZINC000737057065 598536311 /nfs/dbraw/zinc/53/63/11/598536311.db2.gz GILAIDFVQNOTSD-VIFPVBQESA-N -1 3 384.400 0.733 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000737058767 598536413 /nfs/dbraw/zinc/53/64/13/598536413.db2.gz NXSFKXXPOVFFIK-CQSZACIVSA-N -1 3 388.428 0.871 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)C1CCCCC1 ZINC000737058767 598536415 /nfs/dbraw/zinc/53/64/15/598536415.db2.gz NXSFKXXPOVFFIK-CQSZACIVSA-N -1 3 388.428 0.871 20 0 GCADHM NC(=O)CCNC(=O)c1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737749576 598537052 /nfs/dbraw/zinc/53/70/52/598537052.db2.gz XJTNJNZYRHDEET-UHFFFAOYSA-N -1 3 393.407 0.653 20 0 GCADHM NC(=O)CCNC(=O)c1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737749576 598537054 /nfs/dbraw/zinc/53/70/54/598537054.db2.gz XJTNJNZYRHDEET-UHFFFAOYSA-N -1 3 393.407 0.653 20 0 GCADHM O=c1cc(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)[nH]c2ccnn21 ZINC000738379945 598538484 /nfs/dbraw/zinc/53/84/84/598538484.db2.gz KIULJLIYPQNASV-UHFFFAOYSA-N -1 3 395.402 0.664 20 0 GCADHM O=c1cc(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)[nH]c2ccnn21 ZINC000738379945 598538486 /nfs/dbraw/zinc/53/84/86/598538486.db2.gz KIULJLIYPQNASV-UHFFFAOYSA-N -1 3 395.402 0.664 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)Nc1cccnc1-n1cncn1 ZINC000738079383 598544001 /nfs/dbraw/zinc/54/40/01/598544001.db2.gz ZZCMHUCSMVCLSQ-UHFFFAOYSA-N -1 3 392.387 0.471 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)Nc1cccnc1-n1cncn1 ZINC000738079383 598544003 /nfs/dbraw/zinc/54/40/03/598544003.db2.gz ZZCMHUCSMVCLSQ-UHFFFAOYSA-N -1 3 392.387 0.471 20 0 GCADHM COCCN1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1=O ZINC000737007567 598545085 /nfs/dbraw/zinc/54/50/85/598545085.db2.gz MXFCWMIBUALSQL-JTQLQIEISA-N -1 3 396.354 0.902 20 0 GCADHM COCCN1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1=O ZINC000737007567 598545088 /nfs/dbraw/zinc/54/50/88/598545088.db2.gz MXFCWMIBUALSQL-JTQLQIEISA-N -1 3 396.354 0.902 20 0 GCADHM CCOC(=O)N1CCN(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC000736600909 598547367 /nfs/dbraw/zinc/54/73/67/598547367.db2.gz PNHROMZIXKLHMW-UHFFFAOYSA-N -1 3 378.364 0.685 20 0 GCADHM CCOC(=O)N1CCN(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC000736600909 598547369 /nfs/dbraw/zinc/54/73/69/598547369.db2.gz PNHROMZIXKLHMW-UHFFFAOYSA-N -1 3 378.364 0.685 20 0 GCADHM Cc1nc(SCC(=O)N(C)CCS(C)(=O)=O)c(-c2nnn[n-]2)c(C)c1C ZINC000737481728 598550165 /nfs/dbraw/zinc/55/01/65/598550165.db2.gz AFVFTMUFKIDTIW-UHFFFAOYSA-N -1 3 398.514 0.782 20 0 GCADHM Cc1nc(SCC(=O)N(C)CCS(C)(=O)=O)c(-c2nn[n-]n2)c(C)c1C ZINC000737481728 598550167 /nfs/dbraw/zinc/55/01/67/598550167.db2.gz AFVFTMUFKIDTIW-UHFFFAOYSA-N -1 3 398.514 0.782 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)CCS(C)(=O)=O ZINC000735569423 598551694 /nfs/dbraw/zinc/55/16/94/598551694.db2.gz HOAXJUMOUSXTJQ-SECBINFHSA-N -1 3 398.514 0.720 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)CCS(C)(=O)=O ZINC000735569423 598551696 /nfs/dbraw/zinc/55/16/96/598551696.db2.gz HOAXJUMOUSXTJQ-SECBINFHSA-N -1 3 398.514 0.720 20 0 GCADHM CN1CCN(C(=O)CC2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000736855476 598556755 /nfs/dbraw/zinc/55/67/55/598556755.db2.gz CFOILTKWCHRYKC-UHFFFAOYSA-N -1 3 398.471 0.278 20 0 GCADHM CN1CCN(C(=O)CC2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000736855476 598556756 /nfs/dbraw/zinc/55/67/56/598556756.db2.gz CFOILTKWCHRYKC-UHFFFAOYSA-N -1 3 398.471 0.278 20 0 GCADHM CON(C)C(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737022480 598557409 /nfs/dbraw/zinc/55/74/09/598557409.db2.gz UDKFDDWRQIMYDC-UHFFFAOYSA-N -1 3 380.430 0.287 20 0 GCADHM CON(C)C(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737022480 598557410 /nfs/dbraw/zinc/55/74/10/598557410.db2.gz UDKFDDWRQIMYDC-UHFFFAOYSA-N -1 3 380.430 0.287 20 0 GCADHM O=C(COC(=O)CNc1ccc(-c2nn[n-]n2)cc1)NCC(=O)c1ccccc1 ZINC000737905379 598558277 /nfs/dbraw/zinc/55/82/77/598558277.db2.gz NWNXEHFPTBYJPK-UHFFFAOYSA-N -1 3 394.391 0.821 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826222783 607360739 /nfs/dbraw/zinc/36/07/39/607360739.db2.gz MWTZLPSINPHAIA-UHFFFAOYSA-N -1 3 393.425 0.264 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826222783 607360741 /nfs/dbraw/zinc/36/07/41/607360741.db2.gz MWTZLPSINPHAIA-UHFFFAOYSA-N -1 3 393.425 0.264 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000738139216 598564325 /nfs/dbraw/zinc/56/43/25/598564325.db2.gz MSJQSHGXYKNSHG-NXEZZACHSA-N -1 3 396.354 0.826 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000738139216 598564326 /nfs/dbraw/zinc/56/43/26/598564326.db2.gz MSJQSHGXYKNSHG-NXEZZACHSA-N -1 3 396.354 0.826 20 0 GCADHM O=C(NC[C@@H]1CCCOC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738049802 598564441 /nfs/dbraw/zinc/56/44/41/598564441.db2.gz LGKQOLBGUANWKL-VIFPVBQESA-N -1 3 396.354 0.949 20 0 GCADHM O=C(NC[C@@H]1CCCOC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738049802 598564442 /nfs/dbraw/zinc/56/44/42/598564442.db2.gz LGKQOLBGUANWKL-VIFPVBQESA-N -1 3 396.354 0.949 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N1CCC(O)CC1 ZINC000738140821 598564647 /nfs/dbraw/zinc/56/46/47/598564647.db2.gz WYSLMDQYVXFDBJ-UHFFFAOYSA-N -1 3 382.327 0.390 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N1CCC(O)CC1 ZINC000738140821 598564649 /nfs/dbraw/zinc/56/46/49/598564649.db2.gz WYSLMDQYVXFDBJ-UHFFFAOYSA-N -1 3 382.327 0.390 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735798896 598564848 /nfs/dbraw/zinc/56/48/48/598564848.db2.gz HCQCYGXLNVTSNO-JTQLQIEISA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735798896 598564849 /nfs/dbraw/zinc/56/48/49/598564849.db2.gz HCQCYGXLNVTSNO-JTQLQIEISA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735623355 598565103 /nfs/dbraw/zinc/56/51/03/598565103.db2.gz MNNUTJJMAPXHKX-UHFFFAOYSA-N -1 3 393.835 0.880 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735623355 598565105 /nfs/dbraw/zinc/56/51/05/598565105.db2.gz MNNUTJJMAPXHKX-UHFFFAOYSA-N -1 3 393.835 0.880 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000738111725 598566325 /nfs/dbraw/zinc/56/63/25/598566325.db2.gz JJEKJLOTSZCDPJ-OAHLLOKOSA-N -1 3 385.409 0.213 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000738111725 598566327 /nfs/dbraw/zinc/56/63/27/598566327.db2.gz JJEKJLOTSZCDPJ-OAHLLOKOSA-N -1 3 385.409 0.213 20 0 GCADHM O=C(COC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416066 607361683 /nfs/dbraw/zinc/36/16/83/607361683.db2.gz GQVCFZWBTCWCIB-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM O=C(COC(=O)c1ccc(-n2cnnn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416066 607361685 /nfs/dbraw/zinc/36/16/85/607361685.db2.gz GQVCFZWBTCWCIB-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM O=C(NC[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738050691 598577804 /nfs/dbraw/zinc/57/78/04/598577804.db2.gz FWDPFYRNWRRCRU-DOMZBBRYSA-N -1 3 390.469 0.386 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736752267 598580576 /nfs/dbraw/zinc/58/05/76/598580576.db2.gz UBSDRJZUKSMLLL-MRXNPFEDSA-N -1 3 398.471 0.661 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(CCOc1ccccc1-c1nnn[n-]1)c2=O ZINC000736931937 598586427 /nfs/dbraw/zinc/58/64/27/598586427.db2.gz DAFCQICRYYMDMU-UHFFFAOYSA-N -1 3 396.367 0.025 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(CCOc1ccccc1-c1nn[n-]n1)c2=O ZINC000736931937 598586429 /nfs/dbraw/zinc/58/64/29/598586429.db2.gz DAFCQICRYYMDMU-UHFFFAOYSA-N -1 3 396.367 0.025 20 0 GCADHM COCCOCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737007320 598586601 /nfs/dbraw/zinc/58/66/01/598586601.db2.gz ZQGFTAPDQDKKPZ-CYBMUJFWSA-N -1 3 392.441 0.370 20 0 GCADHM COCCOCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737007320 598586603 /nfs/dbraw/zinc/58/66/03/598586603.db2.gz ZQGFTAPDQDKKPZ-CYBMUJFWSA-N -1 3 392.441 0.370 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000738163750 598589457 /nfs/dbraw/zinc/58/94/57/598589457.db2.gz UGAFRMKQAWNYEH-UHFFFAOYSA-N -1 3 389.372 0.442 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000738163750 598589459 /nfs/dbraw/zinc/58/94/59/598589459.db2.gz UGAFRMKQAWNYEH-UHFFFAOYSA-N -1 3 389.372 0.442 20 0 GCADHM Cc1nc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)nn1-c1ccccc1 ZINC000737467635 598589723 /nfs/dbraw/zinc/58/97/23/598589723.db2.gz FPQLILGYCYCMCS-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM Cc1nc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)nn1-c1ccccc1 ZINC000737467635 598589725 /nfs/dbraw/zinc/58/97/25/598589725.db2.gz FPQLILGYCYCMCS-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCOC[C@H]2CCOC2)cc1 ZINC000737775878 598591393 /nfs/dbraw/zinc/59/13/93/598591393.db2.gz HFOIIQUDKKMUSL-LBPRGKRZSA-N -1 3 398.427 0.418 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCOC[C@H]2CCOC2)cc1 ZINC000737775878 598591395 /nfs/dbraw/zinc/59/13/95/598591395.db2.gz HFOIIQUDKKMUSL-LBPRGKRZSA-N -1 3 398.427 0.418 20 0 GCADHM Cc1nnc(NC2CCN(CCS(C)(=O)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000737522486 598592450 /nfs/dbraw/zinc/59/24/50/598592450.db2.gz USKKYDQFBMBGLE-UHFFFAOYSA-N -1 3 380.478 0.194 20 0 GCADHM Cc1nnc(NC2CCN(CCS(C)(=O)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737522486 598592452 /nfs/dbraw/zinc/59/24/52/598592452.db2.gz USKKYDQFBMBGLE-UHFFFAOYSA-N -1 3 380.478 0.194 20 0 GCADHM C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736010619 598594953 /nfs/dbraw/zinc/59/49/53/598594953.db2.gz STTKDPUUTFRLHA-YOEHRIQHSA-N -1 3 385.472 0.672 20 0 GCADHM NC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737758531 598595554 /nfs/dbraw/zinc/59/55/54/598595554.db2.gz LZNSPPPNABSJEJ-CJNGLKHVSA-N -1 3 398.471 0.742 20 0 GCADHM CS(=O)(=O)CCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737161811 598596931 /nfs/dbraw/zinc/59/69/31/598596931.db2.gz FQATUAGYPATUFD-AWEZNQCLSA-N -1 3 378.458 0.386 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1c1ccccc1 ZINC000738298058 598597201 /nfs/dbraw/zinc/59/72/01/598597201.db2.gz VRRVMIQVGSRWFG-OAHLLOKOSA-N -1 3 384.421 0.951 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1c1ccccc1 ZINC000738298058 598597203 /nfs/dbraw/zinc/59/72/03/598597203.db2.gz VRRVMIQVGSRWFG-OAHLLOKOSA-N -1 3 384.421 0.951 20 0 GCADHM O=C(CNS(=O)(=O)c1cccs1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737894007 598599745 /nfs/dbraw/zinc/59/97/45/598599745.db2.gz AWUSQXNLFIJISA-UHFFFAOYSA-N -1 3 382.402 0.984 20 0 GCADHM O=C(CNS(=O)(=O)c1cccs1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737894007 598599747 /nfs/dbraw/zinc/59/97/47/598599747.db2.gz AWUSQXNLFIJISA-UHFFFAOYSA-N -1 3 382.402 0.984 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCc1nc(-c2ccco2)no1 ZINC000737771008 598601530 /nfs/dbraw/zinc/60/15/30/598601530.db2.gz OOUVCKDRGWNKTM-UHFFFAOYSA-N -1 3 385.344 0.464 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCc1nc(-c2ccco2)no1 ZINC000737771008 598601532 /nfs/dbraw/zinc/60/15/32/598601532.db2.gz OOUVCKDRGWNKTM-UHFFFAOYSA-N -1 3 385.344 0.464 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000738177235 598602127 /nfs/dbraw/zinc/60/21/27/598602127.db2.gz HCGOXXRGQWZFHS-HNNXBMFYSA-N -1 3 391.391 0.727 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000738177235 598602129 /nfs/dbraw/zinc/60/21/29/598602129.db2.gz HCGOXXRGQWZFHS-HNNXBMFYSA-N -1 3 391.391 0.727 20 0 GCADHM CCn1c2ccccc2n(CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1=O ZINC000736720431 598602367 /nfs/dbraw/zinc/60/23/67/598602367.db2.gz QFJZLEDGCKFWGA-UHFFFAOYSA-N -1 3 397.399 0.025 20 0 GCADHM CCn1c2ccccc2n(CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1=O ZINC000736720431 598602369 /nfs/dbraw/zinc/60/23/69/598602369.db2.gz QFJZLEDGCKFWGA-UHFFFAOYSA-N -1 3 397.399 0.025 20 0 GCADHM COc1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc2c1O[C@@H](C)C2 ZINC000737042896 598602442 /nfs/dbraw/zinc/60/24/42/598602442.db2.gz ULDFJMZNRDCBKQ-VIFPVBQESA-N -1 3 385.384 0.834 20 0 GCADHM COc1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc2c1O[C@@H](C)C2 ZINC000737042896 598602444 /nfs/dbraw/zinc/60/24/44/598602444.db2.gz ULDFJMZNRDCBKQ-VIFPVBQESA-N -1 3 385.384 0.834 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000737770121 598603288 /nfs/dbraw/zinc/60/32/88/598603288.db2.gz IUTIBMRHILEHMD-UHFFFAOYSA-N -1 3 384.356 0.459 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000737770121 598603291 /nfs/dbraw/zinc/60/32/91/598603291.db2.gz IUTIBMRHILEHMD-UHFFFAOYSA-N -1 3 384.356 0.459 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000737771706 598603428 /nfs/dbraw/zinc/60/34/28/598603428.db2.gz UDOPCECDLYVOTH-UHFFFAOYSA-N -1 3 395.383 0.871 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000737771706 598603429 /nfs/dbraw/zinc/60/34/29/598603429.db2.gz UDOPCECDLYVOTH-UHFFFAOYSA-N -1 3 395.383 0.871 20 0 GCADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736174696 598603660 /nfs/dbraw/zinc/60/36/60/598603660.db2.gz NZPCQDHWQCUWDN-MRVPVSSYSA-N -1 3 379.327 0.934 20 0 GCADHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736174696 598603662 /nfs/dbraw/zinc/60/36/62/598603662.db2.gz NZPCQDHWQCUWDN-MRVPVSSYSA-N -1 3 379.327 0.934 20 0 GCADHM CC(=O)NCc1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)s1 ZINC000735482260 598603756 /nfs/dbraw/zinc/60/37/56/598603756.db2.gz PMILLRLTBYLIER-UHFFFAOYSA-N -1 3 376.402 0.200 20 0 GCADHM CC(=O)NCc1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)s1 ZINC000735482260 598603758 /nfs/dbraw/zinc/60/37/58/598603758.db2.gz PMILLRLTBYLIER-UHFFFAOYSA-N -1 3 376.402 0.200 20 0 GCADHM CCOC(=O)N1CCC[C@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000736599915 598603870 /nfs/dbraw/zinc/60/38/70/598603870.db2.gz GKYNPTFPBUHABM-JTQLQIEISA-N -1 3 378.393 0.057 20 0 GCADHM CCOC(=O)N1CCC[C@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000736599915 598603872 /nfs/dbraw/zinc/60/38/72/598603872.db2.gz GKYNPTFPBUHABM-JTQLQIEISA-N -1 3 378.393 0.057 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000737770105 598604540 /nfs/dbraw/zinc/60/45/40/598604540.db2.gz IDPTUWIYDTWCDF-UHFFFAOYSA-N -1 3 382.384 0.629 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000737770105 598604541 /nfs/dbraw/zinc/60/45/41/598604541.db2.gz IDPTUWIYDTWCDF-UHFFFAOYSA-N -1 3 382.384 0.629 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cnn(-c2ccccc2F)c1 ZINC000737774587 598604944 /nfs/dbraw/zinc/60/49/44/598604944.db2.gz SHLPPPACULLPKF-UHFFFAOYSA-N -1 3 383.347 0.827 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cnn(-c2ccccc2F)c1 ZINC000737774587 598604945 /nfs/dbraw/zinc/60/49/45/598604945.db2.gz SHLPPPACULLPKF-UHFFFAOYSA-N -1 3 383.347 0.827 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000737770913 598605013 /nfs/dbraw/zinc/60/50/13/598605013.db2.gz NFLCDVPYBFQQSI-LBPRGKRZSA-N -1 3 396.411 0.780 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000737770913 598605014 /nfs/dbraw/zinc/60/50/14/598605014.db2.gz NFLCDVPYBFQQSI-LBPRGKRZSA-N -1 3 396.411 0.780 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000737770598 598605955 /nfs/dbraw/zinc/60/59/55/598605955.db2.gz LXIQRUPNLIEWSM-SECBINFHSA-N -1 3 388.354 0.463 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000737770598 598605956 /nfs/dbraw/zinc/60/59/56/598605956.db2.gz LXIQRUPNLIEWSM-SECBINFHSA-N -1 3 388.354 0.463 20 0 GCADHM C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736233956 598607078 /nfs/dbraw/zinc/60/70/78/598607078.db2.gz HIXJBIZFESPTKS-FZMZJTMJSA-N -1 3 376.442 0.356 20 0 GCADHM C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736233956 598607080 /nfs/dbraw/zinc/60/70/80/598607080.db2.gz HIXJBIZFESPTKS-FZMZJTMJSA-N -1 3 376.442 0.356 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000736870060 598607870 /nfs/dbraw/zinc/60/78/70/598607870.db2.gz DVGKFCOAXKAHLA-MRXNPFEDSA-N -1 3 394.391 0.786 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000736870060 598607872 /nfs/dbraw/zinc/60/78/72/598607872.db2.gz DVGKFCOAXKAHLA-MRXNPFEDSA-N -1 3 394.391 0.786 20 0 GCADHM O=C(NCCCN1CCOC1=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738064747 598612619 /nfs/dbraw/zinc/61/26/19/598612619.db2.gz DOAUXYZHXVZSKX-HNNXBMFYSA-N -1 3 385.428 0.794 20 0 GCADHM Cc1csc(=O)n1CCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737456776 598615155 /nfs/dbraw/zinc/61/51/55/598615155.db2.gz JVGUIROHQFMICL-UHFFFAOYSA-N -1 3 378.443 0.729 20 0 GCADHM Cc1csc(=O)n1CCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737456776 598615156 /nfs/dbraw/zinc/61/51/56/598615156.db2.gz JVGUIROHQFMICL-UHFFFAOYSA-N -1 3 378.443 0.729 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cc1 ZINC000737172444 598615586 /nfs/dbraw/zinc/61/55/86/598615586.db2.gz AAGIMKOFGYEODE-UHFFFAOYSA-N -1 3 391.438 0.825 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cc1 ZINC000737172444 598615588 /nfs/dbraw/zinc/61/55/88/598615588.db2.gz AAGIMKOFGYEODE-UHFFFAOYSA-N -1 3 391.438 0.825 20 0 GCADHM O=C(Cn1c(=O)cnc2ccccc21)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737980937 598615820 /nfs/dbraw/zinc/61/58/20/598615820.db2.gz GSRHUSPPHSDSHB-UHFFFAOYSA-N -1 3 395.408 0.518 20 0 GCADHM O=C(Cn1c(=O)cnc2ccccc21)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737980937 598615822 /nfs/dbraw/zinc/61/58/22/598615822.db2.gz GSRHUSPPHSDSHB-UHFFFAOYSA-N -1 3 395.408 0.518 20 0 GCADHM O=C(CN1C(=O)COc2ccccc21)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737875701 598615899 /nfs/dbraw/zinc/61/58/99/598615899.db2.gz AAGAMIUQFKQBKA-UHFFFAOYSA-N -1 3 398.408 0.533 20 0 GCADHM O=C(CN1C(=O)COc2ccccc21)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737875701 598615900 /nfs/dbraw/zinc/61/59/00/598615900.db2.gz AAGAMIUQFKQBKA-UHFFFAOYSA-N -1 3 398.408 0.533 20 0 GCADHM O=C(CN1CCCCCCC1=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737874683 598616113 /nfs/dbraw/zinc/61/61/13/598616113.db2.gz YASIBDHQNCUPKZ-UHFFFAOYSA-N -1 3 376.446 0.900 20 0 GCADHM O=C(CN1CCCCCCC1=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737874683 598616115 /nfs/dbraw/zinc/61/61/15/598616115.db2.gz YASIBDHQNCUPKZ-UHFFFAOYSA-N -1 3 376.446 0.900 20 0 GCADHM COC(=O)CC1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736912715 598616329 /nfs/dbraw/zinc/61/63/29/598616329.db2.gz USCXMDRZZMYILV-OAHLLOKOSA-N -1 3 398.423 0.774 20 0 GCADHM O=C(CN1CCC[C@@H]1[C@@H](O)C(F)(F)F)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737875134 598618564 /nfs/dbraw/zinc/61/85/64/598618564.db2.gz CBXIELNJKZILRP-TZMCWYRMSA-N -1 3 384.362 0.871 20 0 GCADHM O=C(CN1CCC[C@@H]1[C@@H](O)C(F)(F)F)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737875134 598618565 /nfs/dbraw/zinc/61/85/65/598618565.db2.gz CBXIELNJKZILRP-TZMCWYRMSA-N -1 3 384.362 0.871 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000737056315 598618770 /nfs/dbraw/zinc/61/87/70/598618770.db2.gz CPXXIMRQIONARM-UHFFFAOYSA-N -1 3 388.409 0.704 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000737056315 598618771 /nfs/dbraw/zinc/61/87/71/598618771.db2.gz CPXXIMRQIONARM-UHFFFAOYSA-N -1 3 388.409 0.704 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000736923453 598620002 /nfs/dbraw/zinc/62/00/02/598620002.db2.gz RUHPVRNHGKLELN-UHFFFAOYSA-N -1 3 399.455 0.427 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000736923453 598620005 /nfs/dbraw/zinc/62/00/05/598620005.db2.gz RUHPVRNHGKLELN-UHFFFAOYSA-N -1 3 399.455 0.427 20 0 GCADHM O=C(CN(CCO)CC1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737864672 598620660 /nfs/dbraw/zinc/62/06/60/598620660.db2.gz NFJGOODIFGOXNP-UHFFFAOYSA-N -1 3 382.428 0.695 20 0 GCADHM O=C(COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NC(=O)NC1CC1 ZINC000737909756 598622378 /nfs/dbraw/zinc/62/23/78/598622378.db2.gz WBOQTRLNMQLTMT-CQSZACIVSA-N -1 3 399.411 0.367 20 0 GCADHM CN1CCN(C(=O)CCNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736857254 598629357 /nfs/dbraw/zinc/62/93/57/598629357.db2.gz OXZNPLPOEPQCAX-UHFFFAOYSA-N -1 3 376.396 0.291 20 0 GCADHM CN1CCN(C(=O)CCNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736857254 598629358 /nfs/dbraw/zinc/62/93/58/598629358.db2.gz OXZNPLPOEPQCAX-UHFFFAOYSA-N -1 3 376.396 0.291 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H]2COc3ccccc3O2)c(-c2nnn[n-]2)c1 ZINC000737769854 598630192 /nfs/dbraw/zinc/63/01/92/598630192.db2.gz PDMHPENYCJZFNZ-JTQLQIEISA-N -1 3 388.409 0.766 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H]2COc3ccccc3O2)c(-c2nn[n-]n2)c1 ZINC000737769854 598630194 /nfs/dbraw/zinc/63/01/94/598630194.db2.gz PDMHPENYCJZFNZ-JTQLQIEISA-N -1 3 388.409 0.766 20 0 GCADHM CN(Cc1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000736819256 598630661 /nfs/dbraw/zinc/63/06/61/598630661.db2.gz BXQGUOVQDKUCBE-UHFFFAOYSA-N -1 3 388.409 0.879 20 0 GCADHM CN(Cc1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000736819256 598630662 /nfs/dbraw/zinc/63/06/62/598630662.db2.gz BXQGUOVQDKUCBE-UHFFFAOYSA-N -1 3 388.409 0.879 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3cc(Cl)ccc3-c3nnn[n-]3)CC2)C1 ZINC000738357803 598631334 /nfs/dbraw/zinc/63/13/34/598631334.db2.gz SGHGQOSESJWGOV-LBPRGKRZSA-N -1 3 382.877 0.829 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3cc(Cl)ccc3-c3nn[n-]n3)CC2)C1 ZINC000738357803 598631336 /nfs/dbraw/zinc/63/13/36/598631336.db2.gz SGHGQOSESJWGOV-LBPRGKRZSA-N -1 3 382.877 0.829 20 0 GCADHM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737169353 598632304 /nfs/dbraw/zinc/63/23/04/598632304.db2.gz UIEVEPXNTOWBPR-NSHDSACASA-N -1 3 397.436 0.941 20 0 GCADHM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737169353 598632307 /nfs/dbraw/zinc/63/23/07/598632307.db2.gz UIEVEPXNTOWBPR-NSHDSACASA-N -1 3 397.436 0.941 20 0 GCADHM CC1(C)COCCN1CCNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736215284 598633679 /nfs/dbraw/zinc/63/36/79/598633679.db2.gz WBSJIGDRSNRTAG-UHFFFAOYSA-N -1 3 389.464 0.084 20 0 GCADHM CC1(C)COCCN1CCNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736215284 598633680 /nfs/dbraw/zinc/63/36/80/598633680.db2.gz WBSJIGDRSNRTAG-UHFFFAOYSA-N -1 3 389.464 0.084 20 0 GCADHM O=S(=O)(c1cccnc1)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000738356598 598634060 /nfs/dbraw/zinc/63/40/60/598634060.db2.gz GRHRUPHFMCVRDS-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1cccnc1)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000738356598 598634062 /nfs/dbraw/zinc/63/40/62/598634062.db2.gz GRHRUPHFMCVRDS-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC000736758918 598635310 /nfs/dbraw/zinc/63/53/10/598635310.db2.gz KAJDRJQGLOGPSD-ZDUSSCGKSA-N -1 3 387.375 0.956 20 0 GCADHM CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC000736758918 598635312 /nfs/dbraw/zinc/63/53/12/598635312.db2.gz KAJDRJQGLOGPSD-ZDUSSCGKSA-N -1 3 387.375 0.956 20 0 GCADHM O=C(NC[C@H](CO)Cc1ccco1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738040039 598635962 /nfs/dbraw/zinc/63/59/62/598635962.db2.gz RCMKZAQKWWCYHV-SNVBAGLBSA-N -1 3 388.359 0.505 20 0 GCADHM O=C(NC[C@H](CO)Cc1ccco1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738040039 598635964 /nfs/dbraw/zinc/63/59/64/598635964.db2.gz RCMKZAQKWWCYHV-SNVBAGLBSA-N -1 3 388.359 0.505 20 0 GCADHM O=C(NCc1cn2ccccc2n1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738123430 598636124 /nfs/dbraw/zinc/63/61/24/598636124.db2.gz CYDQAPQYDKKDEA-UHFFFAOYSA-N -1 3 380.343 0.908 20 0 GCADHM O=C(NCc1cn2ccccc2n1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738123430 598636126 /nfs/dbraw/zinc/63/61/26/598636126.db2.gz CYDQAPQYDKKDEA-UHFFFAOYSA-N -1 3 380.343 0.908 20 0 GCADHM Cn1c2ccc(NC(=O)C(=O)NCc3cccc(-c4nnn[n-]4)c3)cc2oc1=O ZINC000737588421 598637055 /nfs/dbraw/zinc/63/70/55/598637055.db2.gz GOEQSLLWJSVLRD-UHFFFAOYSA-N -1 3 393.363 0.567 20 0 GCADHM Cn1c2ccc(NC(=O)C(=O)NCc3cccc(-c4nn[n-]n4)c3)cc2oc1=O ZINC000737588421 598637057 /nfs/dbraw/zinc/63/70/57/598637057.db2.gz GOEQSLLWJSVLRD-UHFFFAOYSA-N -1 3 393.363 0.567 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCCCC1 ZINC000738039910 598638019 /nfs/dbraw/zinc/63/80/19/598638019.db2.gz QCZOTRZFTULGHY-UHFFFAOYSA-N -1 3 375.364 0.073 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCCCC1 ZINC000738039910 598638021 /nfs/dbraw/zinc/63/80/21/598638021.db2.gz QCZOTRZFTULGHY-UHFFFAOYSA-N -1 3 375.364 0.073 20 0 GCADHM CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736301943 598638252 /nfs/dbraw/zinc/63/82/52/598638252.db2.gz FUSQLNSOAQEAAE-UHFFFAOYSA-N -1 3 389.391 0.415 20 0 GCADHM CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736301943 598638254 /nfs/dbraw/zinc/63/82/54/598638254.db2.gz FUSQLNSOAQEAAE-UHFFFAOYSA-N -1 3 389.391 0.415 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737618963 598638989 /nfs/dbraw/zinc/63/89/89/598638989.db2.gz PNJJRSSBERVVCW-SNVBAGLBSA-N -1 3 399.390 0.479 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737618963 598638991 /nfs/dbraw/zinc/63/89/91/598638991.db2.gz PNJJRSSBERVVCW-SNVBAGLBSA-N -1 3 399.390 0.479 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)Nc1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000738305157 598647281 /nfs/dbraw/zinc/64/72/81/598647281.db2.gz SQLQJZVBUHTDHX-UHFFFAOYSA-N -1 3 398.408 0.871 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)Nc1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000738305157 598647283 /nfs/dbraw/zinc/64/72/83/598647283.db2.gz SQLQJZVBUHTDHX-UHFFFAOYSA-N -1 3 398.408 0.871 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735476614 598647870 /nfs/dbraw/zinc/64/78/70/598647870.db2.gz YWRHVXPBVGZRED-CYBMUJFWSA-N -1 3 391.819 0.586 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735476614 598647872 /nfs/dbraw/zinc/64/78/72/598647872.db2.gz YWRHVXPBVGZRED-CYBMUJFWSA-N -1 3 391.819 0.586 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737877678 598649103 /nfs/dbraw/zinc/64/91/03/598649103.db2.gz LWPADRGOUVAXKV-UHFFFAOYSA-N -1 3 389.441 0.158 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737877678 598649105 /nfs/dbraw/zinc/64/91/05/598649105.db2.gz LWPADRGOUVAXKV-UHFFFAOYSA-N -1 3 389.441 0.158 20 0 GCADHM COCC(=O)NC1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736965684 598653967 /nfs/dbraw/zinc/65/39/67/598653967.db2.gz GNCLJVBVPQFEMS-UHFFFAOYSA-N -1 3 390.469 0.712 20 0 GCADHM COCC(=O)NC1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736965684 598653969 /nfs/dbraw/zinc/65/39/69/598653969.db2.gz GNCLJVBVPQFEMS-UHFFFAOYSA-N -1 3 390.469 0.712 20 0 GCADHM NC(=O)Cn1ccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737757829 598654833 /nfs/dbraw/zinc/65/48/33/598654833.db2.gz BAMVWZFPWNITOK-UHFFFAOYSA-N -1 3 384.400 0.736 20 0 GCADHM NC(=O)Cn1ccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737757829 598654834 /nfs/dbraw/zinc/65/48/34/598654834.db2.gz BAMVWZFPWNITOK-UHFFFAOYSA-N -1 3 384.400 0.736 20 0 GCADHM COc1ncnc(OC)c1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737162412 598655283 /nfs/dbraw/zinc/65/52/83/598655283.db2.gz QTDULWYAVLCYNZ-UHFFFAOYSA-N -1 3 397.399 0.031 20 0 GCADHM COc1ncnc(OC)c1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737162412 598655285 /nfs/dbraw/zinc/65/52/85/598655285.db2.gz QTDULWYAVLCYNZ-UHFFFAOYSA-N -1 3 397.399 0.031 20 0 GCADHM CN1C(=O)N[C@@]2(CCN(C(=O)CSc3ccc(-c4nnn[n-]4)cc3)C2)C1=O ZINC000736848149 598658638 /nfs/dbraw/zinc/65/86/38/598658638.db2.gz YUCMNNLFYKWTET-MRXNPFEDSA-N -1 3 387.425 0.112 20 0 GCADHM CN1C(=O)N[C@@]2(CCN(C(=O)CSc3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC000736848149 598658640 /nfs/dbraw/zinc/65/86/40/598658640.db2.gz YUCMNNLFYKWTET-MRXNPFEDSA-N -1 3 387.425 0.112 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000738149839 598661823 /nfs/dbraw/zinc/66/18/23/598661823.db2.gz IGQMHZOEGPQOIM-UHFFFAOYSA-N -1 3 389.397 0.892 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000738149839 598661824 /nfs/dbraw/zinc/66/18/24/598661824.db2.gz IGQMHZOEGPQOIM-UHFFFAOYSA-N -1 3 389.397 0.892 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCCN1CCCS1(=O)=O ZINC000737941573 598669389 /nfs/dbraw/zinc/66/93/89/598669389.db2.gz NOYMNZIASMPHKU-UHFFFAOYSA-N -1 3 396.498 0.501 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCCN1CCCS1(=O)=O ZINC000737941573 598669390 /nfs/dbraw/zinc/66/93/90/598669390.db2.gz NOYMNZIASMPHKU-UHFFFAOYSA-N -1 3 396.498 0.501 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736911614 598670006 /nfs/dbraw/zinc/67/00/06/598670006.db2.gz HEINQHCUXRZPKT-GJZGRUSLSA-N -1 3 386.412 0.236 20 0 GCADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cnn(CCN2CCOCC2)c1 ZINC000737853013 598670696 /nfs/dbraw/zinc/67/06/96/598670696.db2.gz JBHVDSIOQQWQEH-UHFFFAOYSA-N -1 3 396.455 0.967 20 0 GCADHM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736510553 598678489 /nfs/dbraw/zinc/67/84/89/598678489.db2.gz BGSWMMODTUWRIE-ZDUSSCGKSA-N -1 3 396.448 0.131 20 0 GCADHM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736510553 598678491 /nfs/dbraw/zinc/67/84/91/598678491.db2.gz BGSWMMODTUWRIE-ZDUSSCGKSA-N -1 3 396.448 0.131 20 0 GCADHM O=C(CN1C(=O)CCc2ccccc21)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737877645 598683683 /nfs/dbraw/zinc/68/36/83/598683683.db2.gz KPICSISVRDGUGJ-UHFFFAOYSA-N -1 3 392.423 0.769 20 0 GCADHM O=C(CN1C(=O)CCc2ccccc21)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737877645 598683685 /nfs/dbraw/zinc/68/36/85/598683685.db2.gz KPICSISVRDGUGJ-UHFFFAOYSA-N -1 3 392.423 0.769 20 0 GCADHM COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000736911908 598685091 /nfs/dbraw/zinc/68/50/91/598685091.db2.gz JNVXOYPZEYSILL-GXSJLCMTSA-N -1 3 378.389 0.277 20 0 GCADHM O=C(CN1C(=O)CCc2ccccc21)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737878375 598685744 /nfs/dbraw/zinc/68/57/44/598685744.db2.gz PTEONGNBTYGWAY-UHFFFAOYSA-N -1 3 392.423 0.769 20 0 GCADHM O=C(CN1C(=O)CCc2ccccc21)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737878375 598685746 /nfs/dbraw/zinc/68/57/46/598685746.db2.gz PTEONGNBTYGWAY-UHFFFAOYSA-N -1 3 392.423 0.769 20 0 GCADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(=O)NC1=O ZINC000736503436 598686604 /nfs/dbraw/zinc/68/66/04/598686604.db2.gz WMPUPPCOQCNRED-AWEZNQCLSA-N -1 3 386.412 0.679 20 0 GCADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CC(=O)NC1=O ZINC000736503436 598686606 /nfs/dbraw/zinc/68/66/06/598686606.db2.gz WMPUPPCOQCNRED-AWEZNQCLSA-N -1 3 386.412 0.679 20 0 GCADHM CCN(C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)NC1=O ZINC000736503438 598686820 /nfs/dbraw/zinc/68/68/20/598686820.db2.gz WMPUPPCOQCNRED-CQSZACIVSA-N -1 3 386.412 0.679 20 0 GCADHM CCN(C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)NC1=O ZINC000736503438 598686821 /nfs/dbraw/zinc/68/68/21/598686821.db2.gz WMPUPPCOQCNRED-CQSZACIVSA-N -1 3 386.412 0.679 20 0 GCADHM CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736481472 598688448 /nfs/dbraw/zinc/68/84/48/598688448.db2.gz QWNBAXYIUKDZHR-UHFFFAOYSA-N -1 3 396.448 0.933 20 0 GCADHM C=CC(=O)NCCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000735403489 598690651 /nfs/dbraw/zinc/69/06/51/598690651.db2.gz XIMVVUQKPCSMJF-UHFFFAOYSA-N -1 3 375.458 0.697 20 0 GCADHM C=CC(=O)NCCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000735403489 598690653 /nfs/dbraw/zinc/69/06/53/598690653.db2.gz XIMVVUQKPCSMJF-UHFFFAOYSA-N -1 3 375.458 0.697 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737766324 598690698 /nfs/dbraw/zinc/69/06/98/598690698.db2.gz ZLUHZIIANWTTIJ-LLVKDONJSA-N -1 3 396.498 0.486 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737766324 598690700 /nfs/dbraw/zinc/69/07/00/598690700.db2.gz ZLUHZIIANWTTIJ-LLVKDONJSA-N -1 3 396.498 0.486 20 0 GCADHM Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000737500791 598690788 /nfs/dbraw/zinc/69/07/88/598690788.db2.gz PXONMARBFHLKTF-LLVKDONJSA-N -1 3 389.416 0.940 20 0 GCADHM Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000737500791 598690790 /nfs/dbraw/zinc/69/07/90/598690790.db2.gz PXONMARBFHLKTF-LLVKDONJSA-N -1 3 389.416 0.940 20 0 GCADHM CC(=O)NCC1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735476238 598690840 /nfs/dbraw/zinc/69/08/40/598690840.db2.gz WOHOQKGECITEAV-UHFFFAOYSA-N -1 3 382.421 0.543 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1cccnc1 ZINC000738076397 598691009 /nfs/dbraw/zinc/69/10/09/598691009.db2.gz XVPQDMUBVKTXTQ-UHFFFAOYSA-N -1 3 391.388 0.109 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1cccnc1 ZINC000738076397 598691011 /nfs/dbraw/zinc/69/10/11/598691011.db2.gz XVPQDMUBVKTXTQ-UHFFFAOYSA-N -1 3 391.388 0.109 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)N1CCCCC1 ZINC000737849214 598692022 /nfs/dbraw/zinc/69/20/22/598692022.db2.gz ZUPKYVVUWXJIPU-UHFFFAOYSA-N -1 3 382.421 0.687 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)N1CCCCC1 ZINC000737849214 598692023 /nfs/dbraw/zinc/69/20/23/598692023.db2.gz ZUPKYVVUWXJIPU-UHFFFAOYSA-N -1 3 382.421 0.687 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735474363 598692489 /nfs/dbraw/zinc/69/24/89/598692489.db2.gz IOYXDKBQNDHBSH-LLVKDONJSA-N -1 3 382.421 0.543 20 0 GCADHM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736747348 598692981 /nfs/dbraw/zinc/69/29/81/598692981.db2.gz RHZWXIHJXRQAMT-NSHDSACASA-N -1 3 386.434 0.158 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736872176 598694816 /nfs/dbraw/zinc/69/48/16/598694816.db2.gz ZWNBVGPINUAZOV-VIFPVBQESA-N -1 3 391.819 0.443 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736872176 598694817 /nfs/dbraw/zinc/69/48/17/598694817.db2.gz ZWNBVGPINUAZOV-VIFPVBQESA-N -1 3 391.819 0.443 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000737489833 598695042 /nfs/dbraw/zinc/69/50/42/598695042.db2.gz MWSIAUNGNBNBNT-VIFPVBQESA-N -1 3 378.393 0.199 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000737489833 598695043 /nfs/dbraw/zinc/69/50/43/598695043.db2.gz MWSIAUNGNBNBNT-VIFPVBQESA-N -1 3 378.393 0.199 20 0 GCADHM CCn1ccnc1CN1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736722241 598697184 /nfs/dbraw/zinc/69/71/84/598697184.db2.gz JIBVHRBXDOUPAS-UHFFFAOYSA-N -1 3 395.471 0.839 20 0 GCADHM CN(CCn1cccn1)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736814519 598698867 /nfs/dbraw/zinc/69/88/67/598698867.db2.gz KYIRJXQBBKGQNG-GOSISDBHSA-N -1 3 395.427 0.420 20 0 GCADHM CN(CCn1cccn1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736814519 598698869 /nfs/dbraw/zinc/69/88/69/598698869.db2.gz KYIRJXQBBKGQNG-GOSISDBHSA-N -1 3 395.427 0.420 20 0 GCADHM O=C(CN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)NCc1cccnc1 ZINC000737883257 598700835 /nfs/dbraw/zinc/70/08/35/598700835.db2.gz PBBOXVNDMCTMPO-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM O=C(CN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)NCc1cccnc1 ZINC000737883257 598700836 /nfs/dbraw/zinc/70/08/36/598700836.db2.gz PBBOXVNDMCTMPO-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM O=C1[C@H](N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCN1CC(F)(F)F ZINC000738290167 598700983 /nfs/dbraw/zinc/70/09/83/598700983.db2.gz NNEYNGXPJABKER-GFCCVEGCSA-N -1 3 396.377 0.547 20 0 GCADHM O=C1[C@H](N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCN1CC(F)(F)F ZINC000738290167 598700985 /nfs/dbraw/zinc/70/09/85/598700985.db2.gz NNEYNGXPJABKER-GFCCVEGCSA-N -1 3 396.377 0.547 20 0 GCADHM O=C(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737862086 598702421 /nfs/dbraw/zinc/70/24/21/598702421.db2.gz JZLBQHFJHSKTAY-CQSZACIVSA-N -1 3 376.442 0.457 20 0 GCADHM O=C(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737862086 598702423 /nfs/dbraw/zinc/70/24/23/598702423.db2.gz JZLBQHFJHSKTAY-CQSZACIVSA-N -1 3 376.442 0.457 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737879729 598704923 /nfs/dbraw/zinc/70/49/23/598704923.db2.gz XZGOMWYTNUJVCK-UHFFFAOYSA-N -1 3 388.359 0.914 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737879729 598704924 /nfs/dbraw/zinc/70/49/24/598704924.db2.gz XZGOMWYTNUJVCK-UHFFFAOYSA-N -1 3 388.359 0.914 20 0 GCADHM O=C(CN1CCCC[C@H]1CN1CCCC1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737876688 598707613 /nfs/dbraw/zinc/70/76/13/598707613.db2.gz JPCVZWSSSHKVOJ-KRWDZBQOSA-N -1 3 397.483 0.960 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736522601 598709413 /nfs/dbraw/zinc/70/94/13/598709413.db2.gz MWKGECVYKADDPE-AWEZNQCLSA-N -1 3 378.458 0.888 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736522601 598709414 /nfs/dbraw/zinc/70/94/14/598709414.db2.gz MWKGECVYKADDPE-AWEZNQCLSA-N -1 3 378.458 0.888 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736624417 598711330 /nfs/dbraw/zinc/71/13/30/598711330.db2.gz XGYVQQSSWDXRID-UHFFFAOYSA-N -1 3 380.474 0.351 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736624417 598711331 /nfs/dbraw/zinc/71/13/31/598711331.db2.gz XGYVQQSSWDXRID-UHFFFAOYSA-N -1 3 380.474 0.351 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737766734 598711444 /nfs/dbraw/zinc/71/14/44/598711444.db2.gz VLCNZIYOWVVAAP-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737766734 598711446 /nfs/dbraw/zinc/71/14/46/598711446.db2.gz VLCNZIYOWVVAAP-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000738348232 598711882 /nfs/dbraw/zinc/71/18/82/598711882.db2.gz SIHLMZKLXJJISD-CYBMUJFWSA-N -1 3 375.414 0.153 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](Cn2cccn2)C1 ZINC000738348232 598711883 /nfs/dbraw/zinc/71/18/83/598711883.db2.gz SIHLMZKLXJJISD-CYBMUJFWSA-N -1 3 375.414 0.153 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000736710982 598712156 /nfs/dbraw/zinc/71/21/56/598712156.db2.gz NCRNPBBMLKPEFW-UHFFFAOYSA-N -1 3 378.393 0.364 20 0 GCADHM CN(C)S(=O)(=O)CCCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736771495 598716750 /nfs/dbraw/zinc/71/67/50/598716750.db2.gz NTCHPSHVRMYPPQ-UHFFFAOYSA-N -1 3 397.480 0.409 20 0 GCADHM CN(C)S(=O)(=O)CCCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736771495 598716751 /nfs/dbraw/zinc/71/67/51/598716751.db2.gz NTCHPSHVRMYPPQ-UHFFFAOYSA-N -1 3 397.480 0.409 20 0 GCADHM O=C([C@H](O)c1cccnc1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737781184 598717555 /nfs/dbraw/zinc/71/75/55/598717555.db2.gz IKLHOHIVLIMQND-QGZVFWFLSA-N -1 3 379.424 0.640 20 0 GCADHM O=C(CN1CC(=O)NC1=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000738302234 598721465 /nfs/dbraw/zinc/72/14/65/598721465.db2.gz JQKOWWLXIHBIPQ-UHFFFAOYSA-N -1 3 394.351 0.544 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737128105 598722098 /nfs/dbraw/zinc/72/20/98/598722098.db2.gz MUTLTUDQZBNXJM-MRXNPFEDSA-N -1 3 396.407 0.455 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737128105 598722099 /nfs/dbraw/zinc/72/20/99/598722099.db2.gz MUTLTUDQZBNXJM-MRXNPFEDSA-N -1 3 396.407 0.455 20 0 GCADHM COc1cccc([C@H](O)C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737126245 598722927 /nfs/dbraw/zinc/72/29/27/598722927.db2.gz FLTBHSYUYDWTKS-KRWDZBQOSA-N -1 3 397.391 0.768 20 0 GCADHM COc1cccc([C@H](O)C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737126245 598722928 /nfs/dbraw/zinc/72/29/28/598722928.db2.gz FLTBHSYUYDWTKS-KRWDZBQOSA-N -1 3 397.391 0.768 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)CC1 ZINC000735733611 598723846 /nfs/dbraw/zinc/72/38/46/598723846.db2.gz HNFRUWRGFXBPAC-AWEZNQCLSA-N -1 3 379.442 0.527 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)CC1 ZINC000735733611 598723847 /nfs/dbraw/zinc/72/38/47/598723847.db2.gz HNFRUWRGFXBPAC-AWEZNQCLSA-N -1 3 379.442 0.527 20 0 GCADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1F)C1CCC2(CC1)NC(=O)NC2=O ZINC000738314540 598723858 /nfs/dbraw/zinc/72/38/58/598723858.db2.gz BADNFMKRHHTJPT-UHFFFAOYSA-N -1 3 388.359 0.817 20 0 GCADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1F)C1CCC2(CC1)NC(=O)NC2=O ZINC000738314540 598723860 /nfs/dbraw/zinc/72/38/60/598723860.db2.gz BADNFMKRHHTJPT-UHFFFAOYSA-N -1 3 388.359 0.817 20 0 GCADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)NC(N)=O ZINC000736149995 598724708 /nfs/dbraw/zinc/72/47/08/598724708.db2.gz MDSFIDQOIZUPAX-JTQLQIEISA-N -1 3 376.373 0.542 20 0 GCADHM C[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)NC(N)=O ZINC000736149995 598724710 /nfs/dbraw/zinc/72/47/10/598724710.db2.gz MDSFIDQOIZUPAX-JTQLQIEISA-N -1 3 376.373 0.542 20 0 GCADHM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(=O)NC(N)=O ZINC000736157240 598726001 /nfs/dbraw/zinc/72/60/01/598726001.db2.gz ILQXEPPYDAPWEM-VIFPVBQESA-N -1 3 397.351 0.794 20 0 GCADHM C[C@H](OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(=O)NC(N)=O ZINC000736157240 598726002 /nfs/dbraw/zinc/72/60/02/598726002.db2.gz ILQXEPPYDAPWEM-VIFPVBQESA-N -1 3 397.351 0.794 20 0 GCADHM Cn1ccnc1CNC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737615763 598726485 /nfs/dbraw/zinc/72/64/85/598726485.db2.gz LGWPRVISPHFGLQ-UHFFFAOYSA-N -1 3 385.407 0.771 20 0 GCADHM Cn1ccnc1CNC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737615763 598726487 /nfs/dbraw/zinc/72/64/87/598726487.db2.gz LGWPRVISPHFGLQ-UHFFFAOYSA-N -1 3 385.407 0.771 20 0 GCADHM CNC(=O)NC(=O)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736878798 598726517 /nfs/dbraw/zinc/72/65/17/598726517.db2.gz IPMJFDUIKPAOLN-UHFFFAOYSA-N -1 3 397.351 0.666 20 0 GCADHM CNC(=O)NC(=O)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736878798 598726518 /nfs/dbraw/zinc/72/65/18/598726518.db2.gz IPMJFDUIKPAOLN-UHFFFAOYSA-N -1 3 397.351 0.666 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)CC(=O)N1CCOCC1 ZINC000737059494 598729349 /nfs/dbraw/zinc/72/93/49/598729349.db2.gz VELQJHVIQBJBQX-UHFFFAOYSA-N -1 3 375.389 0.198 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)CC(=O)N1CCOCC1 ZINC000737059494 598729351 /nfs/dbraw/zinc/72/93/51/598729351.db2.gz VELQJHVIQBJBQX-UHFFFAOYSA-N -1 3 375.389 0.198 20 0 GCADHM NC(=O)c1ccc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)cc1F ZINC000737760024 598731414 /nfs/dbraw/zinc/73/14/14/598731414.db2.gz NFQRSIYZPHWCNJ-UHFFFAOYSA-N -1 3 385.363 0.733 20 0 GCADHM NC(=O)c1ccc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)cc1F ZINC000737760024 598731416 /nfs/dbraw/zinc/73/14/16/598731416.db2.gz NFQRSIYZPHWCNJ-UHFFFAOYSA-N -1 3 385.363 0.733 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000738101376 598732820 /nfs/dbraw/zinc/73/28/20/598732820.db2.gz WKEMIMLQYMKIAE-AWEZNQCLSA-N -1 3 386.391 0.813 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000738101376 598732822 /nfs/dbraw/zinc/73/28/22/598732822.db2.gz WKEMIMLQYMKIAE-AWEZNQCLSA-N -1 3 386.391 0.813 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCn2c(nnc2C2CC2)C1 ZINC000738079068 598733106 /nfs/dbraw/zinc/73/31/06/598733106.db2.gz UVACAKFIJXYGFO-UHFFFAOYSA-N -1 3 395.431 0.368 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCn2c(nnc2C2CC2)C1 ZINC000738079068 598733107 /nfs/dbraw/zinc/73/31/07/598733107.db2.gz UVACAKFIJXYGFO-UHFFFAOYSA-N -1 3 395.431 0.368 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)C2 ZINC000735952089 598733598 /nfs/dbraw/zinc/73/35/98/598733598.db2.gz CXHUKELZMBBMEW-UHFFFAOYSA-N -1 3 381.400 0.563 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)C2 ZINC000735952089 598733599 /nfs/dbraw/zinc/73/35/99/598733599.db2.gz CXHUKELZMBBMEW-UHFFFAOYSA-N -1 3 381.400 0.563 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000738152424 598734589 /nfs/dbraw/zinc/73/45/89/598734589.db2.gz SOLXWTVPAQWCHH-UHFFFAOYSA-N -1 3 379.384 0.317 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000738152424 598734591 /nfs/dbraw/zinc/73/45/91/598734591.db2.gz SOLXWTVPAQWCHH-UHFFFAOYSA-N -1 3 379.384 0.317 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000738152374 598734692 /nfs/dbraw/zinc/73/46/92/598734692.db2.gz RFTJTGXFVYHYGE-AWEZNQCLSA-N -1 3 383.412 0.419 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000738152374 598734695 /nfs/dbraw/zinc/73/46/95/598734695.db2.gz RFTJTGXFVYHYGE-AWEZNQCLSA-N -1 3 383.412 0.419 20 0 GCADHM CCOC(=O)N[C@H](C(=O)OCCNc1ncccc1-c1nnn[n-]1)C(C)C ZINC000736601189 598736542 /nfs/dbraw/zinc/73/65/42/598736542.db2.gz SOCFSXGWUUIPHS-LBPRGKRZSA-N -1 3 377.405 0.988 20 0 GCADHM CCOC(=O)N[C@H](C(=O)OCCNc1ncccc1-c1nn[n-]n1)C(C)C ZINC000736601189 598736543 /nfs/dbraw/zinc/73/65/43/598736543.db2.gz SOCFSXGWUUIPHS-LBPRGKRZSA-N -1 3 377.405 0.988 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@@]12CCC(=O)N1CCS2 ZINC000738302434 598737574 /nfs/dbraw/zinc/73/75/74/598737574.db2.gz WTQPFGGDDIMRCW-HNNXBMFYSA-N -1 3 375.414 0.282 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@@]12CCC(=O)N1CCS2 ZINC000738302434 598737577 /nfs/dbraw/zinc/73/75/77/598737577.db2.gz WTQPFGGDDIMRCW-HNNXBMFYSA-N -1 3 375.414 0.282 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000738318030 598737581 /nfs/dbraw/zinc/73/75/81/598737581.db2.gz HWOMQISPEZEWQV-CQSZACIVSA-N -1 3 380.364 0.999 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000738318030 598737583 /nfs/dbraw/zinc/73/75/83/598737583.db2.gz HWOMQISPEZEWQV-CQSZACIVSA-N -1 3 380.364 0.999 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1sccc1-n1cnnn1 ZINC000738224855 598737634 /nfs/dbraw/zinc/73/76/34/598737634.db2.gz WOYTXZRBXXYXKZ-UHFFFAOYSA-N -1 3 384.385 0.568 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1sccc1-n1cnnn1 ZINC000738224855 598737635 /nfs/dbraw/zinc/73/76/35/598737635.db2.gz WOYTXZRBXXYXKZ-UHFFFAOYSA-N -1 3 384.385 0.568 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1ccc(N2CCOCC2)nc1 ZINC000738222097 598737658 /nfs/dbraw/zinc/73/76/58/598737658.db2.gz ADKVYIMVMNKLTC-UHFFFAOYSA-N -1 3 396.411 0.762 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1ccc(N2CCOCC2)nc1 ZINC000738222097 598737659 /nfs/dbraw/zinc/73/76/59/598737659.db2.gz ADKVYIMVMNKLTC-UHFFFAOYSA-N -1 3 396.411 0.762 20 0 GCADHM COCCn1cc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)ccc1=O ZINC000737017561 598738282 /nfs/dbraw/zinc/73/82/82/598738282.db2.gz WDHJYJOHRSPYIQ-UHFFFAOYSA-N -1 3 385.384 0.339 20 0 GCADHM COCCn1cc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)ccc1=O ZINC000737017561 598738283 /nfs/dbraw/zinc/73/82/83/598738283.db2.gz WDHJYJOHRSPYIQ-UHFFFAOYSA-N -1 3 385.384 0.339 20 0 GCADHM CCc1nc(CN2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2)no1 ZINC000736703875 598742873 /nfs/dbraw/zinc/74/28/73/598742873.db2.gz HGJKGAHQOHERHA-LBPRGKRZSA-N -1 3 383.416 0.602 20 0 GCADHM CCc1nc(CN2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2)no1 ZINC000736703875 598742874 /nfs/dbraw/zinc/74/28/74/598742874.db2.gz HGJKGAHQOHERHA-LBPRGKRZSA-N -1 3 383.416 0.602 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737444700 598748945 /nfs/dbraw/zinc/74/89/45/598748945.db2.gz ONWNSXSURKGCDK-MRXNPFEDSA-N -1 3 382.428 0.982 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737444700 598748946 /nfs/dbraw/zinc/74/89/46/598748946.db2.gz ONWNSXSURKGCDK-MRXNPFEDSA-N -1 3 382.428 0.982 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000738294278 598749849 /nfs/dbraw/zinc/74/98/49/598749849.db2.gz BFWZLZLXAXPZRU-SNVBAGLBSA-N -1 3 390.347 0.308 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000738294278 598749850 /nfs/dbraw/zinc/74/98/50/598749850.db2.gz BFWZLZLXAXPZRU-SNVBAGLBSA-N -1 3 390.347 0.308 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCN(C)CC(F)(F)F ZINC000737025005 598753686 /nfs/dbraw/zinc/75/36/86/598753686.db2.gz WKNBAVCEWRRWMM-UHFFFAOYSA-N -1 3 388.350 0.864 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCN(C)CC(F)(F)F ZINC000737025005 598753687 /nfs/dbraw/zinc/75/36/87/598753687.db2.gz WKNBAVCEWRRWMM-UHFFFAOYSA-N -1 3 388.350 0.864 20 0 GCADHM Cn1cc(-c2ncc(C(=O)NCCNc3ncccc3-c3nnn[n-]3)s2)cn1 ZINC000737590713 598755016 /nfs/dbraw/zinc/75/50/16/598755016.db2.gz CHFDAIOVVOKATM-UHFFFAOYSA-N -1 3 396.440 0.961 20 0 GCADHM Cn1cc(-c2ncc(C(=O)NCCNc3ncccc3-c3nn[n-]n3)s2)cn1 ZINC000737590713 598755017 /nfs/dbraw/zinc/75/50/17/598755017.db2.gz CHFDAIOVVOKATM-UHFFFAOYSA-N -1 3 396.440 0.961 20 0 GCADHM CC[C@]1(C(C)C)NC(=O)N(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736397820 598757272 /nfs/dbraw/zinc/75/72/72/598757272.db2.gz VZITVFDCHAOVLM-SCLBCKFNSA-N -1 3 388.428 0.963 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736158709 598758310 /nfs/dbraw/zinc/75/83/10/598758310.db2.gz IMSBDPIWSBKUJH-GXFFZTMASA-N -1 3 393.425 0.058 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736158709 598758311 /nfs/dbraw/zinc/75/83/11/598758311.db2.gz IMSBDPIWSBKUJH-GXFFZTMASA-N -1 3 393.425 0.058 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000737290345 598761941 /nfs/dbraw/zinc/76/19/41/598761941.db2.gz UGEGSJBQNGJDCO-JTQLQIEISA-N -1 3 380.430 0.005 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000737290345 598761942 /nfs/dbraw/zinc/76/19/42/598761942.db2.gz UGEGSJBQNGJDCO-JTQLQIEISA-N -1 3 380.430 0.005 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000736191255 598762360 /nfs/dbraw/zinc/76/23/60/598762360.db2.gz YOHAIBMGFRNYBR-JTQLQIEISA-N -1 3 388.409 0.920 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000736191255 598762361 /nfs/dbraw/zinc/76/23/61/598762361.db2.gz YOHAIBMGFRNYBR-JTQLQIEISA-N -1 3 388.409 0.920 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)Cn1ncn2nccc2c1=O ZINC000735905428 598762584 /nfs/dbraw/zinc/76/25/84/598762584.db2.gz IINWHEIIVAENAL-UHFFFAOYSA-N -1 3 395.383 0.497 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1ncn2nccc2c1=O ZINC000735905428 598762585 /nfs/dbraw/zinc/76/25/85/598762585.db2.gz IINWHEIIVAENAL-UHFFFAOYSA-N -1 3 395.383 0.497 20 0 GCADHM COCCc1noc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC000737015637 598764196 /nfs/dbraw/zinc/76/41/96/598764196.db2.gz YHRXOCSJKVDEMP-UHFFFAOYSA-N -1 3 388.407 0.900 20 0 GCADHM COc1c(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c(C)nn1C ZINC000737023017 598765718 /nfs/dbraw/zinc/76/57/18/598765718.db2.gz GRLGBORAIQADDA-UHFFFAOYSA-N -1 3 396.455 0.875 20 0 GCADHM COc1c(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c(C)nn1C ZINC000737023017 598765719 /nfs/dbraw/zinc/76/57/19/598765719.db2.gz GRLGBORAIQADDA-UHFFFAOYSA-N -1 3 396.455 0.875 20 0 GCADHM O=C(NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccn1 ZINC000823176387 607366619 /nfs/dbraw/zinc/36/66/19/607366619.db2.gz SOHRVEGLOOJPOD-UHFFFAOYSA-N -1 3 392.423 0.939 20 0 GCADHM O=C(NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccccn1 ZINC000823176387 607366621 /nfs/dbraw/zinc/36/66/21/607366621.db2.gz SOHRVEGLOOJPOD-UHFFFAOYSA-N -1 3 392.423 0.939 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737609906 598768138 /nfs/dbraw/zinc/76/81/38/598768138.db2.gz LLBVXVQQNSHVRC-UHFFFAOYSA-N -1 3 389.441 0.832 20 0 GCADHM COCC1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)CC1 ZINC000736971061 598769288 /nfs/dbraw/zinc/76/92/88/598769288.db2.gz GSVSVMGSEVNJKA-UHFFFAOYSA-N -1 3 399.455 0.947 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735538462 598770538 /nfs/dbraw/zinc/77/05/38/598770538.db2.gz TZNCDFZGBIFANS-CYBMUJFWSA-N -1 3 398.471 0.361 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735538462 598770539 /nfs/dbraw/zinc/77/05/39/598770539.db2.gz TZNCDFZGBIFANS-CYBMUJFWSA-N -1 3 398.471 0.361 20 0 GCADHM NC(=O)CN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000737744966 598775811 /nfs/dbraw/zinc/77/58/11/598775811.db2.gz DGLDKTGHCXKLNX-UHFFFAOYSA-N -1 3 379.424 0.470 20 0 GCADHM NC(=O)CN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000737744966 598775813 /nfs/dbraw/zinc/77/58/13/598775813.db2.gz DGLDKTGHCXKLNX-UHFFFAOYSA-N -1 3 379.424 0.470 20 0 GCADHM NC(=O)CSCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737752634 598779611 /nfs/dbraw/zinc/77/96/11/598779611.db2.gz IUWRODFZYQYKTN-UHFFFAOYSA-N -1 3 376.442 0.455 20 0 GCADHM COc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc(OC)c1OCC(N)=O ZINC000737040183 598782790 /nfs/dbraw/zinc/78/27/90/598782790.db2.gz FWRQCIPTWZBHEQ-UHFFFAOYSA-N -1 3 399.363 0.967 20 0 GCADHM COc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc(OC)c1OCC(N)=O ZINC000737040183 598782791 /nfs/dbraw/zinc/78/27/91/598782791.db2.gz FWRQCIPTWZBHEQ-UHFFFAOYSA-N -1 3 399.363 0.967 20 0 GCADHM CCCCCN(CCO)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736447542 598783970 /nfs/dbraw/zinc/78/39/70/598783970.db2.gz QLSKWMVOLSYNEW-UHFFFAOYSA-N -1 3 376.417 0.825 20 0 GCADHM CCCCCN(CCO)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736447542 598783971 /nfs/dbraw/zinc/78/39/71/598783971.db2.gz QLSKWMVOLSYNEW-UHFFFAOYSA-N -1 3 376.417 0.825 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736330562 598784082 /nfs/dbraw/zinc/78/40/82/598784082.db2.gz MLIRAJCWHYRPKE-KWQFWETISA-N -1 3 398.370 0.930 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736330562 598784083 /nfs/dbraw/zinc/78/40/83/598784083.db2.gz MLIRAJCWHYRPKE-KWQFWETISA-N -1 3 398.370 0.930 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000738151967 598784471 /nfs/dbraw/zinc/78/44/71/598784471.db2.gz MJOUNZSTCWBABB-OAHLLOKOSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000738151967 598784473 /nfs/dbraw/zinc/78/44/73/598784473.db2.gz MJOUNZSTCWBABB-OAHLLOKOSA-N -1 3 397.439 0.809 20 0 GCADHM CCN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(C)(=O)=O ZINC000736502301 598792488 /nfs/dbraw/zinc/79/24/88/598792488.db2.gz LMPLKYNWWLXQFU-NEPJUHHUSA-N -1 3 381.458 0.916 20 0 GCADHM O=c1ccccn1CCN1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000738379936 598794400 /nfs/dbraw/zinc/79/44/00/598794400.db2.gz KCWNMELANYICSH-UHFFFAOYSA-N -1 3 392.876 0.961 20 0 GCADHM CC1(CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)COC1 ZINC000736217016 598798567 /nfs/dbraw/zinc/79/85/67/598798567.db2.gz PSGRDMDNGCMBLX-UHFFFAOYSA-N -1 3 375.408 0.874 20 0 GCADHM CC(C)NC(=O)CNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735885389 598799931 /nfs/dbraw/zinc/79/99/31/598799931.db2.gz YPHOIIQHFFDRLM-UHFFFAOYSA-N -1 3 387.444 0.944 20 0 GCADHM CC(C)NC(=O)CNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735885389 598799932 /nfs/dbraw/zinc/79/99/32/598799932.db2.gz YPHOIIQHFFDRLM-UHFFFAOYSA-N -1 3 387.444 0.944 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000736179236 598807314 /nfs/dbraw/zinc/80/73/14/598807314.db2.gz BNAJCUPFCDJIND-LLVKDONJSA-N -1 3 394.457 0.161 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000736179236 598807315 /nfs/dbraw/zinc/80/73/15/598807315.db2.gz BNAJCUPFCDJIND-LLVKDONJSA-N -1 3 394.457 0.161 20 0 GCADHM CCCNC(=O)CCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736479761 598808185 /nfs/dbraw/zinc/80/81/85/598808185.db2.gz GNAFIEKYDUCFHG-UHFFFAOYSA-N -1 3 385.472 0.817 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735748892 598809089 /nfs/dbraw/zinc/80/90/89/598809089.db2.gz YSNDOYCHYITEEZ-CQSZACIVSA-N -1 3 377.836 0.915 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735748892 598809091 /nfs/dbraw/zinc/80/90/91/598809091.db2.gz YSNDOYCHYITEEZ-CQSZACIVSA-N -1 3 377.836 0.915 20 0 GCADHM COCCN1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000737005171 598812335 /nfs/dbraw/zinc/81/23/35/598812335.db2.gz QMOZXZSNGOVBJS-UHFFFAOYSA-N -1 3 397.443 0.039 20 0 GCADHM COCCN1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000737005171 598812336 /nfs/dbraw/zinc/81/23/36/598812336.db2.gz QMOZXZSNGOVBJS-UHFFFAOYSA-N -1 3 397.443 0.039 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)Cc1ccc(O)cc1 ZINC000736890708 598812380 /nfs/dbraw/zinc/81/23/80/598812380.db2.gz CDOUCVGQKFKBLK-ZDUSSCGKSA-N -1 3 382.380 0.729 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)Cc1ccc(O)cc1 ZINC000736890708 598812381 /nfs/dbraw/zinc/81/23/81/598812381.db2.gz CDOUCVGQKFKBLK-ZDUSSCGKSA-N -1 3 382.380 0.729 20 0 GCADHM CNS(=O)(=O)CCCN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736881614 598813252 /nfs/dbraw/zinc/81/32/52/598813252.db2.gz FOQIUXPZDPXDEF-UHFFFAOYSA-N -1 3 383.453 0.067 20 0 GCADHM CC(C)NC(=O)CCCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000735884671 598813660 /nfs/dbraw/zinc/81/36/60/598813660.db2.gz OHSBVPWKSQIYQP-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM CC(C)NC(=O)CCCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000735884671 598813662 /nfs/dbraw/zinc/81/36/62/598813662.db2.gz OHSBVPWKSQIYQP-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM Cn1nnc2cc(C(=O)N3CCN(c4cc(-c5nnn[n-]5)ccn4)CC3)ccc21 ZINC000737629727 598816697 /nfs/dbraw/zinc/81/66/97/598816697.db2.gz ZEORLNFQRNCLRS-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM Cn1nnc2cc(C(=O)N3CCN(c4cc(-c5nn[n-]n5)ccn4)CC3)ccc21 ZINC000737629727 598816699 /nfs/dbraw/zinc/81/66/99/598816699.db2.gz ZEORLNFQRNCLRS-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCN(C(N)=O)CC1 ZINC000735735739 598819271 /nfs/dbraw/zinc/81/92/71/598819271.db2.gz UWFLIEGQKPKDOP-OAHLLOKOSA-N -1 3 387.444 0.883 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCN(C(N)=O)CC1 ZINC000735735739 598819273 /nfs/dbraw/zinc/81/92/73/598819273.db2.gz UWFLIEGQKPKDOP-OAHLLOKOSA-N -1 3 387.444 0.883 20 0 GCADHM CCN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000736511145 598820219 /nfs/dbraw/zinc/82/02/19/598820219.db2.gz PNOKBXIIYKSWBD-ZDUSSCGKSA-N -1 3 394.501 0.628 20 0 GCADHM CCN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000736511145 598820221 /nfs/dbraw/zinc/82/02/21/598820221.db2.gz PNOKBXIIYKSWBD-ZDUSSCGKSA-N -1 3 394.501 0.628 20 0 GCADHM COCCN(CCC(=O)OC)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736995871 598822608 /nfs/dbraw/zinc/82/26/08/598822608.db2.gz ZLFCSWRMAUECAZ-LBPRGKRZSA-N -1 3 377.401 0.672 20 0 GCADHM COCCN(CCC(=O)OC)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736995871 598822609 /nfs/dbraw/zinc/82/26/09/598822609.db2.gz ZLFCSWRMAUECAZ-LBPRGKRZSA-N -1 3 377.401 0.672 20 0 GCADHM CN(C[C@H]1CN(CCOc2ccccc2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000736792921 599292596 /nfs/dbraw/zinc/29/25/96/599292596.db2.gz USCZECBCISNMDN-HNNXBMFYSA-N -1 3 396.455 0.873 20 0 GCADHM CN(C[C@H]1CN(CCOc2ccccc2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000736792921 599292598 /nfs/dbraw/zinc/29/25/98/599292598.db2.gz USCZECBCISNMDN-HNNXBMFYSA-N -1 3 396.455 0.873 20 0 GCADHM O=C(CN1CCO[C@H](CNc2cccnn2)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737883580 599292715 /nfs/dbraw/zinc/29/27/15/599292715.db2.gz QWKSEJBLVUNSJY-OAHLLOKOSA-N -1 3 395.427 0.408 20 0 GCADHM O=C(CN1CCO[C@H](CNc2cccnn2)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737883580 599292717 /nfs/dbraw/zinc/29/27/17/599292717.db2.gz QWKSEJBLVUNSJY-OAHLLOKOSA-N -1 3 395.427 0.408 20 0 GCADHM COCCOc1ncccc1C(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737013847 599293798 /nfs/dbraw/zinc/29/37/98/599293798.db2.gz LGIDNADMKHFSCU-UHFFFAOYSA-N -1 3 388.413 0.841 20 0 GCADHM COCCOc1ncccc1C(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737013847 599293800 /nfs/dbraw/zinc/29/38/00/599293800.db2.gz LGIDNADMKHFSCU-UHFFFAOYSA-N -1 3 388.413 0.841 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)c1 ZINC000736881596 599293977 /nfs/dbraw/zinc/29/39/77/599293977.db2.gz FAAFRCJOHKWLME-IHWYPQMZSA-N -1 3 397.424 0.575 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)c1 ZINC000736881596 599293979 /nfs/dbraw/zinc/29/39/79/599293979.db2.gz FAAFRCJOHKWLME-IHWYPQMZSA-N -1 3 397.424 0.575 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000738207493 599294918 /nfs/dbraw/zinc/29/49/18/599294918.db2.gz CCHCUFHPDWCFPQ-VIFPVBQESA-N -1 3 388.457 0.899 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000738207493 599294921 /nfs/dbraw/zinc/29/49/21/599294921.db2.gz CCHCUFHPDWCFPQ-VIFPVBQESA-N -1 3 388.457 0.899 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000736184277 599296197 /nfs/dbraw/zinc/29/61/97/599296197.db2.gz XPFLCHSJKRSQSJ-DZKIICNBSA-N -1 3 386.456 0.813 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000736184277 599296199 /nfs/dbraw/zinc/29/61/99/599296199.db2.gz XPFLCHSJKRSQSJ-DZKIICNBSA-N -1 3 386.456 0.813 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000738089717 599296892 /nfs/dbraw/zinc/29/68/92/599296892.db2.gz QSFXGEDETZIEDW-HNNXBMFYSA-N -1 3 387.444 0.362 20 0 GCADHM CC[C@H]1CN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000736406771 599298078 /nfs/dbraw/zinc/29/80/78/599298078.db2.gz BPWMQRPJGQSFMT-WMLDXEAASA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@H]1CN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000736406771 599298079 /nfs/dbraw/zinc/29/80/79/599298079.db2.gz BPWMQRPJGQSFMT-WMLDXEAASA-N -1 3 386.456 0.815 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000737296534 599302271 /nfs/dbraw/zinc/30/22/71/599302271.db2.gz KCHHWVSNBCMBQJ-AWEZNQCLSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000737296534 599302274 /nfs/dbraw/zinc/30/22/74/599302274.db2.gz KCHHWVSNBCMBQJ-AWEZNQCLSA-N -1 3 378.458 0.270 20 0 GCADHM CN(CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cccnc1 ZINC000736733578 599305709 /nfs/dbraw/zinc/30/57/09/599305709.db2.gz VIDJPJZUASIKIY-UHFFFAOYSA-N -1 3 387.425 0.545 20 0 GCADHM CN(CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cccnc1 ZINC000736733578 599305711 /nfs/dbraw/zinc/30/57/11/599305711.db2.gz VIDJPJZUASIKIY-UHFFFAOYSA-N -1 3 387.425 0.545 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000737024380 599315097 /nfs/dbraw/zinc/31/50/97/599315097.db2.gz RJMLBDHSCOLQEY-LLVKDONJSA-N -1 3 377.401 0.958 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000737024380 599315099 /nfs/dbraw/zinc/31/50/99/599315099.db2.gz RJMLBDHSCOLQEY-LLVKDONJSA-N -1 3 377.401 0.958 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000737756826 599316610 /nfs/dbraw/zinc/31/66/10/599316610.db2.gz ZUDYXMOCRIDZGY-LBPRGKRZSA-N -1 3 396.411 0.474 20 0 GCADHM O=S(=O)([C@@H]1CCOC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738320292 599324948 /nfs/dbraw/zinc/32/49/48/599324948.db2.gz WPBQWUPBKRELOF-OAHLLOKOSA-N -1 3 379.442 0.829 20 0 GCADHM COCCN(CCOC)S(=O)(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821690065 599325385 /nfs/dbraw/zinc/32/53/85/599325385.db2.gz XMXMZJYZDTYHFI-GFCCVEGCSA-N -1 3 384.462 0.357 20 0 GCADHM COCCN(CCOC)S(=O)(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821690065 599325388 /nfs/dbraw/zinc/32/53/88/599325388.db2.gz XMXMZJYZDTYHFI-GFCCVEGCSA-N -1 3 384.462 0.357 20 0 GCADHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821325714 599325431 /nfs/dbraw/zinc/32/54/31/599325431.db2.gz KNTSCFGXZMJIOX-SMDDNHRTSA-N -1 3 394.457 0.790 20 0 GCADHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821325714 599325432 /nfs/dbraw/zinc/32/54/32/599325432.db2.gz KNTSCFGXZMJIOX-SMDDNHRTSA-N -1 3 394.457 0.790 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000821668297 599336098 /nfs/dbraw/zinc/33/60/98/599336098.db2.gz ZJJUOWHVFZJUJF-UHFFFAOYSA-N -1 3 376.398 0.802 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000821668297 599336101 /nfs/dbraw/zinc/33/61/01/599336101.db2.gz ZJJUOWHVFZJUJF-UHFFFAOYSA-N -1 3 376.398 0.802 20 0 GCADHM CCn1nc(C)c(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1C ZINC000821568470 599338209 /nfs/dbraw/zinc/33/82/09/599338209.db2.gz WAJJGSVMONBABW-UHFFFAOYSA-N -1 3 391.461 0.485 20 0 GCADHM CCn1nc(C)c(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1C ZINC000821568470 599338212 /nfs/dbraw/zinc/33/82/12/599338212.db2.gz WAJJGSVMONBABW-UHFFFAOYSA-N -1 3 391.461 0.485 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823567693 599338423 /nfs/dbraw/zinc/33/84/23/599338423.db2.gz WOIFEYDIDZQYTM-UHFFFAOYSA-N -1 3 389.441 0.897 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823567693 599338425 /nfs/dbraw/zinc/33/84/25/599338425.db2.gz WOIFEYDIDZQYTM-UHFFFAOYSA-N -1 3 389.441 0.897 20 0 GCADHM CCN1CCN(C2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000736572321 599341946 /nfs/dbraw/zinc/34/19/46/599341946.db2.gz YMDDOZOVGJFECU-UHFFFAOYSA-N -1 3 399.455 0.994 20 0 GCADHM CCN1CCN(C2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000736572321 599341949 /nfs/dbraw/zinc/34/19/49/599341949.db2.gz YMDDOZOVGJFECU-UHFFFAOYSA-N -1 3 399.455 0.994 20 0 GCADHM CCN1CCN(C2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000736569604 599342233 /nfs/dbraw/zinc/34/22/33/599342233.db2.gz KGHGDFVVVDDFEU-UHFFFAOYSA-N -1 3 399.455 0.994 20 0 GCADHM Cn1c2ncn(CCSc3ccccc3-c3nnn[n-]3)c2c(=O)n(C)c1=O ZINC000822596432 599342845 /nfs/dbraw/zinc/34/28/45/599342845.db2.gz JIWXTBLIMHKEHP-UHFFFAOYSA-N -1 3 384.425 0.406 20 0 GCADHM Cn1c2ncn(CCSc3ccccc3-c3nn[n-]n3)c2c(=O)n(C)c1=O ZINC000822596432 599342847 /nfs/dbraw/zinc/34/28/47/599342847.db2.gz JIWXTBLIMHKEHP-UHFFFAOYSA-N -1 3 384.425 0.406 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000737924599 599343268 /nfs/dbraw/zinc/34/32/68/599343268.db2.gz GVLAPFJLHGNVAO-CYBMUJFWSA-N -1 3 385.405 0.890 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000737924599 599343272 /nfs/dbraw/zinc/34/32/72/599343272.db2.gz GVLAPFJLHGNVAO-CYBMUJFWSA-N -1 3 385.405 0.890 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000737921019 599343540 /nfs/dbraw/zinc/34/35/40/599343540.db2.gz UFULBMZQGJWAGD-CQSZACIVSA-N -1 3 385.405 0.890 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCC[C@H]1Cn1cncn1 ZINC000823600938 599345782 /nfs/dbraw/zinc/34/57/82/599345782.db2.gz MMSKZADKOBQOQF-NSHDSACASA-N -1 3 394.848 0.965 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NC[C@@H]1CCCN1c1cccnn1 ZINC000737930239 599347092 /nfs/dbraw/zinc/34/70/92/599347092.db2.gz NTMNILWVDLXITE-ZDUSSCGKSA-N -1 3 380.412 0.821 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NC[C@@H]1CCCN1c1cccnn1 ZINC000737930239 599347095 /nfs/dbraw/zinc/34/70/95/599347095.db2.gz NTMNILWVDLXITE-ZDUSSCGKSA-N -1 3 380.412 0.821 20 0 GCADHM C[C@@H](Oc1ccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1)C(N)=O ZINC000820534226 599350426 /nfs/dbraw/zinc/35/04/26/599350426.db2.gz KHPMOZYXCQFPLD-SNVBAGLBSA-N -1 3 389.393 0.887 20 0 GCADHM C[C@@H](Oc1ccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1)C(N)=O ZINC000820534226 599350428 /nfs/dbraw/zinc/35/04/28/599350428.db2.gz KHPMOZYXCQFPLD-SNVBAGLBSA-N -1 3 389.393 0.887 20 0 GCADHM C[C@@H](Oc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1)C(N)=O ZINC000820533229 599351227 /nfs/dbraw/zinc/35/12/27/599351227.db2.gz CJDXRJLCPZASNF-SNVBAGLBSA-N -1 3 389.393 0.887 20 0 GCADHM C[C@@H](Oc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1)C(N)=O ZINC000820533229 599351230 /nfs/dbraw/zinc/35/12/30/599351230.db2.gz CJDXRJLCPZASNF-SNVBAGLBSA-N -1 3 389.393 0.887 20 0 GCADHM Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000822680872 599352668 /nfs/dbraw/zinc/35/26/68/599352668.db2.gz QPAQQURDRBXFCA-CYBMUJFWSA-N -1 3 388.457 0.548 20 0 GCADHM Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822680872 599352669 /nfs/dbraw/zinc/35/26/69/599352669.db2.gz QPAQQURDRBXFCA-CYBMUJFWSA-N -1 3 388.457 0.548 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(CCOc1ccccc1-c1nnn[n-]1)CC2 ZINC000737768850 599355406 /nfs/dbraw/zinc/35/54/06/599355406.db2.gz AAMXKEHBSABPNM-UHFFFAOYSA-N -1 3 386.437 0.956 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(CCOc1ccccc1-c1nn[n-]n1)CC2 ZINC000737768850 599355408 /nfs/dbraw/zinc/35/54/08/599355408.db2.gz AAMXKEHBSABPNM-UHFFFAOYSA-N -1 3 386.437 0.956 20 0 GCADHM CN(C)C(=O)c1cc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)ccn1 ZINC000736752443 599359365 /nfs/dbraw/zinc/35/93/65/599359365.db2.gz XVFLLTADHSVWCX-UHFFFAOYSA-N -1 3 396.415 0.592 20 0 GCADHM CN(C)C(=O)c1cc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)ccn1 ZINC000736752443 599359368 /nfs/dbraw/zinc/35/93/68/599359368.db2.gz XVFLLTADHSVWCX-UHFFFAOYSA-N -1 3 396.415 0.592 20 0 GCADHM CN(CCO)C(=O)c1ccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736802829 599363777 /nfs/dbraw/zinc/36/37/77/599363777.db2.gz XUHXOQBHASGAID-UHFFFAOYSA-N -1 3 396.407 0.949 20 0 GCADHM CN(CCO)C(=O)c1ccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736802829 599363780 /nfs/dbraw/zinc/36/37/80/599363780.db2.gz XUHXOQBHASGAID-UHFFFAOYSA-N -1 3 396.407 0.949 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)CCCS(C)(=O)=O ZINC000736625382 599364370 /nfs/dbraw/zinc/36/43/70/599364370.db2.gz DITRXTHWLJITEV-UHFFFAOYSA-N -1 3 390.443 0.409 20 0 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599397544 /nfs/dbraw/zinc/39/75/44/599397544.db2.gz FTUXTAPHUDAHAN-AWEZNQCLSA-N -1 3 399.484 0.841 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000735880737 599398874 /nfs/dbraw/zinc/39/88/74/599398874.db2.gz BKXWKQIQHWQFGD-UHFFFAOYSA-N -1 3 377.836 0.693 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000735880737 599398877 /nfs/dbraw/zinc/39/88/77/599398877.db2.gz BKXWKQIQHWQFGD-UHFFFAOYSA-N -1 3 377.836 0.693 20 0 GCADHM O=C(NCCNC(=O)c1ccco1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823202222 599407308 /nfs/dbraw/zinc/40/73/08/599407308.db2.gz UPYQNOCJHBFNJZ-UHFFFAOYSA-N -1 3 385.384 0.568 20 0 GCADHM CNC(=O)CN1CCC(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821632902 599407381 /nfs/dbraw/zinc/40/73/81/599407381.db2.gz NTUUEGNRSOHNOM-LBPRGKRZSA-N -1 3 386.460 0.437 20 0 GCADHM C[C@H](CN1CCOCC1)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820262474 599408263 /nfs/dbraw/zinc/40/82/63/599408263.db2.gz WTGNMBDHGACCAW-CYBMUJFWSA-N -1 3 375.433 0.265 20 0 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388.428 0.298 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCOC1CCOCC1 ZINC000823005173 599425912 /nfs/dbraw/zinc/42/59/12/599425912.db2.gz FTICTMATBGSXOE-UHFFFAOYSA-N -1 3 388.428 0.298 20 0 GCADHM CC(=O)NC1CCC(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819802481 599429201 /nfs/dbraw/zinc/42/92/01/599429201.db2.gz CUPZRMYGGDTWNN-UHFFFAOYSA-N -1 3 387.444 0.992 20 0 GCADHM C[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccco1 ZINC000820366368 599430391 /nfs/dbraw/zinc/43/03/91/599430391.db2.gz NTIMJUJDLATGSZ-LBPRGKRZSA-N -1 3 399.411 0.843 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819923232 599432300 /nfs/dbraw/zinc/43/23/00/599432300.db2.gz WEQWLISNHFTJHV-UHFFFAOYSA-N -1 3 375.433 0.850 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822889804 599432305 /nfs/dbraw/zinc/43/23/05/599432305.db2.gz FNWRICJBIDAXSG-UHFFFAOYSA-N -1 3 395.423 0.886 20 0 GCADHM Cc1nc(CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)no1 ZINC000822444423 599432381 /nfs/dbraw/zinc/43/23/81/599432381.db2.gz QIMDVWABWIAHFZ-UHFFFAOYSA-N -1 3 384.404 0.421 20 0 GCADHM Cc1nc(CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)no1 ZINC000822444423 599432382 /nfs/dbraw/zinc/43/23/82/599432382.db2.gz QIMDVWABWIAHFZ-UHFFFAOYSA-N -1 3 384.404 0.421 20 0 GCADHM CCN1CCO[C@H](CNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821275527 599444086 /nfs/dbraw/zinc/44/40/86/599444086.db2.gz ATBPAZNJXKGLBN-OAHLLOKOSA-N -1 3 375.433 0.265 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736229526 599446416 /nfs/dbraw/zinc/44/64/16/599446416.db2.gz MPHKKNASGQWEFL-DYEKYZERSA-N -1 3 381.458 0.114 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736229978 599446602 /nfs/dbraw/zinc/44/66/02/599446602.db2.gz QBLOTVSRVWRRFW-NXEZZACHSA-N -1 3 384.487 0.764 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736229978 599446605 /nfs/dbraw/zinc/44/66/05/599446605.db2.gz QBLOTVSRVWRRFW-NXEZZACHSA-N -1 3 384.487 0.764 20 0 GCADHM C[C@H](NC(=O)NCCOCCS(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820368289 599446745 /nfs/dbraw/zinc/44/67/45/599446745.db2.gz ZLSGKLMVOZDKJP-NSHDSACASA-N -1 3 382.446 0.288 20 0 GCADHM C[C@H](NC(=O)NCCOCCS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820368289 599446748 /nfs/dbraw/zinc/44/67/48/599446748.db2.gz ZLSGKLMVOZDKJP-NSHDSACASA-N -1 3 382.446 0.288 20 0 GCADHM O=C(NCCCOC[C@@H]1CCOC1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823192249 599447176 /nfs/dbraw/zinc/44/71/76/599447176.db2.gz USDDDOVORXVPQN-AWEZNQCLSA-N -1 3 390.444 0.988 20 0 GCADHM C[C@@H]1[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCS1(=O)=O ZINC000736230930 599447417 /nfs/dbraw/zinc/44/74/17/599447417.db2.gz UIYWAJKAVNUFTP-VHSXEESVSA-N -1 3 398.876 0.966 20 0 GCADHM C[C@@H]1[C@H](C)N(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCS1(=O)=O ZINC000736230930 599447419 /nfs/dbraw/zinc/44/74/19/599447419.db2.gz UIYWAJKAVNUFTP-VHSXEESVSA-N -1 3 398.876 0.966 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736230925 599447607 /nfs/dbraw/zinc/44/76/07/599447607.db2.gz UIYWAJKAVNUFTP-NXEZZACHSA-N -1 3 398.876 0.966 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736230925 599447610 /nfs/dbraw/zinc/44/76/10/599447610.db2.gz UIYWAJKAVNUFTP-NXEZZACHSA-N -1 3 398.876 0.966 20 0 GCADHM Cc1oc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000737551853 599448437 /nfs/dbraw/zinc/44/84/37/599448437.db2.gz JZDXXLUHZHZHTB-ONGXEEELSA-N -1 3 382.446 0.522 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736608145 599451353 /nfs/dbraw/zinc/45/13/53/599451353.db2.gz JEHYVGFVWDGISB-HNNXBMFYSA-N -1 3 375.433 0.414 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000821931735 599459712 /nfs/dbraw/zinc/45/97/12/599459712.db2.gz GXBFUYKDLHJXKL-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000821931735 599459714 /nfs/dbraw/zinc/45/97/14/599459714.db2.gz GXBFUYKDLHJXKL-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819883715 599462553 /nfs/dbraw/zinc/46/25/53/599462553.db2.gz LDCGDULSASGNIE-ZJUUUORDSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819883715 599462554 /nfs/dbraw/zinc/46/25/54/599462554.db2.gz LDCGDULSASGNIE-ZJUUUORDSA-N -1 3 384.437 0.969 20 0 GCADHM NC(=O)NC[C@@H]1CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000822873531 599467176 /nfs/dbraw/zinc/46/71/76/599467176.db2.gz FDCBEWDJHWLSBF-JTQLQIEISA-N -1 3 376.396 0.596 20 0 GCADHM NC(=O)NC[C@@H]1CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000822873531 599467178 /nfs/dbraw/zinc/46/71/78/599467178.db2.gz FDCBEWDJHWLSBF-JTQLQIEISA-N -1 3 376.396 0.596 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000737062884 599470882 /nfs/dbraw/zinc/47/08/82/599470882.db2.gz SRHVELRRXFQOMO-UHFFFAOYSA-N -1 3 388.409 0.916 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000737062884 599470883 /nfs/dbraw/zinc/47/08/83/599470883.db2.gz SRHVELRRXFQOMO-UHFFFAOYSA-N -1 3 388.409 0.916 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821636153 599474688 /nfs/dbraw/zinc/47/46/88/599474688.db2.gz HIIYKTJHNDUMPN-NSHDSACASA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821636153 599474690 /nfs/dbraw/zinc/47/46/90/599474690.db2.gz HIIYKTJHNDUMPN-NSHDSACASA-N -1 3 393.473 0.651 20 0 GCADHM O=S(=O)(c1c[nH]cn1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738347294 599481933 /nfs/dbraw/zinc/48/19/33/599481933.db2.gz GGAPWZLYWIYUFQ-UHFFFAOYSA-N -1 3 375.414 0.822 20 0 GCADHM O=S(=O)(c1c[nH]cn1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738347294 599481935 /nfs/dbraw/zinc/48/19/35/599481935.db2.gz GGAPWZLYWIYUFQ-UHFFFAOYSA-N -1 3 375.414 0.822 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821636690 599482352 /nfs/dbraw/zinc/48/23/52/599482352.db2.gz ZAOOLXLWVOCVGN-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821636690 599482355 /nfs/dbraw/zinc/48/23/55/599482355.db2.gz ZAOOLXLWVOCVGN-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM CCc1c(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(N)=O ZINC000825688018 607381325 /nfs/dbraw/zinc/38/13/25/607381325.db2.gz PYZDOYCHDCBZBL-UHFFFAOYSA-N -1 3 397.395 0.960 20 0 GCADHM CCc1c(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(N)=O ZINC000825688018 607381327 /nfs/dbraw/zinc/38/13/27/607381327.db2.gz PYZDOYCHDCBZBL-UHFFFAOYSA-N -1 3 397.395 0.960 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cc(C2CCOCC2)[nH]n1 ZINC000823005260 599490645 /nfs/dbraw/zinc/49/06/45/599490645.db2.gz JAWORCFAUAFEQM-UHFFFAOYSA-N -1 3 396.411 0.852 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cc(C2CCOCC2)[nH]n1 ZINC000823005260 599490647 /nfs/dbraw/zinc/49/06/47/599490647.db2.gz JAWORCFAUAFEQM-UHFFFAOYSA-N -1 3 396.411 0.852 20 0 GCADHM CC(C)N1C(=O)CN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1(C)C ZINC000820121654 599493676 /nfs/dbraw/zinc/49/36/76/599493676.db2.gz UBJJMEJLYNGUDA-UHFFFAOYSA-N -1 3 399.455 0.454 20 0 GCADHM CC(C)N1C(=O)CN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1(C)C ZINC000820121654 599493678 /nfs/dbraw/zinc/49/36/78/599493678.db2.gz UBJJMEJLYNGUDA-UHFFFAOYSA-N -1 3 399.455 0.454 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCNc1ccccn1 ZINC000737889672 599495529 /nfs/dbraw/zinc/49/55/29/599495529.db2.gz ORQYBPDMABOSPG-UHFFFAOYSA-N -1 3 380.412 0.610 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCNc1ccccn1 ZINC000737889672 599495532 /nfs/dbraw/zinc/49/55/32/599495532.db2.gz ORQYBPDMABOSPG-UHFFFAOYSA-N -1 3 380.412 0.610 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(O)CCOCC1 ZINC000820033865 599496628 /nfs/dbraw/zinc/49/66/28/599496628.db2.gz ZBCNGPWYTBPMRO-HNNXBMFYSA-N -1 3 375.429 0.928 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(O)CCOCC1 ZINC000820033865 599496630 /nfs/dbraw/zinc/49/66/30/599496630.db2.gz ZBCNGPWYTBPMRO-HNNXBMFYSA-N -1 3 375.429 0.928 20 0 GCADHM Cc1cccc(COC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737393825 599497525 /nfs/dbraw/zinc/49/75/25/599497525.db2.gz MJZHHTOZNISHMT-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM Cc1cccc(COC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737393825 599497527 /nfs/dbraw/zinc/49/75/27/599497527.db2.gz MJZHHTOZNISHMT-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H](O)C2CCOCC2)cc1 ZINC000737775858 599498166 /nfs/dbraw/zinc/49/81/66/599498166.db2.gz GKVVCBWUCXSHTH-HNNXBMFYSA-N -1 3 398.427 0.152 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H](O)C2CCOCC2)cc1 ZINC000737775858 599498168 /nfs/dbraw/zinc/49/81/68/599498168.db2.gz GKVVCBWUCXSHTH-HNNXBMFYSA-N -1 3 398.427 0.152 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@H](O)C2CCOCC2)cc1 ZINC000737775859 599498188 /nfs/dbraw/zinc/49/81/88/599498188.db2.gz GKVVCBWUCXSHTH-OAHLLOKOSA-N -1 3 398.427 0.152 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@H](O)C2CCOCC2)cc1 ZINC000737775859 599498191 /nfs/dbraw/zinc/49/81/91/599498191.db2.gz GKVVCBWUCXSHTH-OAHLLOKOSA-N -1 3 398.427 0.152 20 0 GCADHM O=C(NC[C@H](O)C1CCOCC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738037321 599498517 /nfs/dbraw/zinc/49/85/17/599498517.db2.gz FSPWPOGMNYZLNP-SJORKVTESA-N -1 3 386.456 0.739 20 0 GCADHM O=S(=O)(Cc1cscn1)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738328020 599500431 /nfs/dbraw/zinc/50/04/31/599500431.db2.gz BDNHRHLBQPPYIO-LBPRGKRZSA-N -1 3 381.439 0.678 20 0 GCADHM COCCCn1ccc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000736987416 599503247 /nfs/dbraw/zinc/50/32/47/599503247.db2.gz GTTBZKSYODCYGR-UHFFFAOYSA-N -1 3 386.420 0.728 20 0 GCADHM COCCCn1ccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000736987416 599503250 /nfs/dbraw/zinc/50/32/50/599503250.db2.gz GTTBZKSYODCYGR-UHFFFAOYSA-N -1 3 386.420 0.728 20 0 GCADHM C[C@@H](NC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820321891 599503257 /nfs/dbraw/zinc/50/32/57/599503257.db2.gz NODLPWXGHMOYAX-WSKFYRRCSA-N -1 3 381.396 0.155 20 0 GCADHM C[C@@H](NC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820321891 599503259 /nfs/dbraw/zinc/50/32/59/599503259.db2.gz NODLPWXGHMOYAX-WSKFYRRCSA-N -1 3 381.396 0.155 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736608943 599503668 /nfs/dbraw/zinc/50/36/68/599503668.db2.gz NPNRCLCGJBTJGD-MRXNPFEDSA-N -1 3 389.460 0.091 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736225649 599504044 /nfs/dbraw/zinc/50/40/44/599504044.db2.gz QTQGLHWDECQRIP-KDHKCVMQSA-N -1 3 378.462 0.225 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736225649 599504045 /nfs/dbraw/zinc/50/40/45/599504045.db2.gz QTQGLHWDECQRIP-KDHKCVMQSA-N -1 3 378.462 0.225 20 0 GCADHM C[S@@](=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737173462 599507576 /nfs/dbraw/zinc/50/75/76/599507576.db2.gz YQMPCFIZMJORLB-HHHXNRCGSA-N -1 3 384.421 0.859 20 0 GCADHM C[S@@](=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737173462 599507578 /nfs/dbraw/zinc/50/75/78/599507578.db2.gz YQMPCFIZMJORLB-HHHXNRCGSA-N -1 3 384.421 0.859 20 0 GCADHM CN(CC(N)=O)C(=O)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736788761 599509151 /nfs/dbraw/zinc/50/91/51/599509151.db2.gz NZCBCYWDQPXFHP-UHFFFAOYSA-N -1 3 395.379 0.541 20 0 GCADHM CN(CC(N)=O)C(=O)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736788761 599509152 /nfs/dbraw/zinc/50/91/52/599509152.db2.gz NZCBCYWDQPXFHP-UHFFFAOYSA-N -1 3 395.379 0.541 20 0 GCADHM C[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396497 599509925 /nfs/dbraw/zinc/50/99/25/599509925.db2.gz FYCKPGVGHHSDMY-SECBINFHSA-N -1 3 377.364 0.888 20 0 GCADHM C[C@@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396497 599509928 /nfs/dbraw/zinc/50/99/28/599509928.db2.gz FYCKPGVGHHSDMY-SECBINFHSA-N -1 3 377.364 0.888 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC000737611796 599510426 /nfs/dbraw/zinc/51/04/26/599510426.db2.gz HVJAWVSTLVBTIU-UHFFFAOYSA-N -1 3 399.390 0.027 20 0 GCADHM CCCOC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736488476 599513250 /nfs/dbraw/zinc/51/32/50/599513250.db2.gz RQMAPHJQHJQYCD-UHFFFAOYSA-N -1 3 390.400 0.663 20 0 GCADHM CCCOC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736488476 599513252 /nfs/dbraw/zinc/51/32/52/599513252.db2.gz RQMAPHJQHJQYCD-UHFFFAOYSA-N -1 3 390.400 0.663 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@](C)(O)CCOC ZINC000736633378 599513681 /nfs/dbraw/zinc/51/36/81/599513681.db2.gz AJFHPMWSTXLNLG-KRWDZBQOSA-N -1 3 392.416 0.108 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)CCOC ZINC000736633378 599513683 /nfs/dbraw/zinc/51/36/83/599513683.db2.gz AJFHPMWSTXLNLG-KRWDZBQOSA-N -1 3 392.416 0.108 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1cccc(O)c1 ZINC000737059665 599514242 /nfs/dbraw/zinc/51/42/42/599514242.db2.gz XVCVVFGJRFIHKP-UHFFFAOYSA-N -1 3 382.380 0.878 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1cccc(O)c1 ZINC000737059665 599514245 /nfs/dbraw/zinc/51/42/45/599514245.db2.gz XVCVVFGJRFIHKP-UHFFFAOYSA-N -1 3 382.380 0.878 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@](C)(O)C1CC1 ZINC000735904037 599514892 /nfs/dbraw/zinc/51/48/92/599514892.db2.gz KIAFCJLAJKXZOC-GOSISDBHSA-N -1 3 388.428 0.870 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)C1CC1 ZINC000735904037 599514893 /nfs/dbraw/zinc/51/48/93/599514893.db2.gz KIAFCJLAJKXZOC-GOSISDBHSA-N -1 3 388.428 0.870 20 0 GCADHM CC(=O)NC1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000819802550 599515444 /nfs/dbraw/zinc/51/54/44/599515444.db2.gz FKTYKKVFKDCLCJ-UHFFFAOYSA-N -1 3 379.446 0.373 20 0 GCADHM CC(=O)NC1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000819802550 599515445 /nfs/dbraw/zinc/51/54/45/599515445.db2.gz FKTYKKVFKDCLCJ-UHFFFAOYSA-N -1 3 379.446 0.373 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736224824 599516083 /nfs/dbraw/zinc/51/60/83/599516083.db2.gz NRDBZGXZQQISNM-UXDGFGRTSA-N -1 3 380.405 0.312 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736224824 599516085 /nfs/dbraw/zinc/51/60/85/599516085.db2.gz NRDBZGXZQQISNM-UXDGFGRTSA-N -1 3 380.405 0.312 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCCn1nc2ccccn2c1=O ZINC000737955934 599516984 /nfs/dbraw/zinc/51/69/84/599516984.db2.gz NYEYBRYBSJYFBL-UHFFFAOYSA-N -1 3 379.380 0.852 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCCn1nc2ccccn2c1=O ZINC000737955934 599516988 /nfs/dbraw/zinc/51/69/88/599516988.db2.gz NYEYBRYBSJYFBL-UHFFFAOYSA-N -1 3 379.380 0.852 20 0 GCADHM O=C(NCC[C@H](O)C(F)(F)F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738057258 599518006 /nfs/dbraw/zinc/51/80/06/599518006.db2.gz ZPYITBQLLWTEBC-VIFPVBQESA-N -1 3 376.270 0.374 20 0 GCADHM O=C(NCC[C@H](O)C(F)(F)F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738057258 599518007 /nfs/dbraw/zinc/51/80/07/599518007.db2.gz ZPYITBQLLWTEBC-VIFPVBQESA-N -1 3 376.270 0.374 20 0 GCADHM Cc1cc(C)n(-c2ccc(NCCCc3[nH]nc(N)c3-c3nnn[n-]3)nn2)n1 ZINC000737257131 599518315 /nfs/dbraw/zinc/51/83/15/599518315.db2.gz QQIDIXBWHPIOJE-UHFFFAOYSA-N -1 3 380.420 0.809 20 0 GCADHM C[C@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)[C@H](C)N1CCOCC1 ZINC000820456068 599528239 /nfs/dbraw/zinc/52/82/39/599528239.db2.gz PKQVTSVEYUDBIT-QWRGUYRKSA-N -1 3 381.462 0.035 20 0 GCADHM CCc1nc2n(n1)C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC2 ZINC000821509505 599536998 /nfs/dbraw/zinc/53/69/98/599536998.db2.gz JBCFUNVLOWGFHY-VIFPVBQESA-N -1 3 389.445 0.095 20 0 GCADHM CCc1nc2n(n1)C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC2 ZINC000821509505 599537001 /nfs/dbraw/zinc/53/70/01/599537001.db2.gz JBCFUNVLOWGFHY-VIFPVBQESA-N -1 3 389.445 0.095 20 0 GCADHM O[C@H](COc1ccccc1)CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000823699961 599540634 /nfs/dbraw/zinc/54/06/34/599540634.db2.gz YPEZAZLBHFUCCN-HNNXBMFYSA-N -1 3 381.440 0.824 20 0 GCADHM O[C@H](COc1ccccc1)CN1CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000823699961 599540636 /nfs/dbraw/zinc/54/06/36/599540636.db2.gz YPEZAZLBHFUCCN-HNNXBMFYSA-N -1 3 381.440 0.824 20 0 GCADHM COc1ccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC000737066679 599545350 /nfs/dbraw/zinc/54/53/50/599545350.db2.gz HCKLEASQPQHXAW-UHFFFAOYSA-N -1 3 381.400 0.459 20 0 GCADHM COc1ccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC000737066679 599545352 /nfs/dbraw/zinc/54/53/52/599545352.db2.gz HCKLEASQPQHXAW-UHFFFAOYSA-N -1 3 381.400 0.459 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@H](Cn3cncn3)C2)c(-c2nnn[n-]2)c1 ZINC000822895406 599548330 /nfs/dbraw/zinc/54/83/30/599548330.db2.gz QVPPIMZQWCKHIF-NSHDSACASA-N -1 3 389.445 0.022 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@H](Cn3cncn3)C2)c(-c2nn[n-]n2)c1 ZINC000822895406 599548332 /nfs/dbraw/zinc/54/83/32/599548332.db2.gz QVPPIMZQWCKHIF-NSHDSACASA-N -1 3 389.445 0.022 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1=O ZINC000735875195 599566072 /nfs/dbraw/zinc/56/60/72/599566072.db2.gz KBIZYZFXYAQBES-LBPRGKRZSA-N -1 3 395.427 0.374 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1=O ZINC000735875195 599566074 /nfs/dbraw/zinc/56/60/74/599566074.db2.gz KBIZYZFXYAQBES-LBPRGKRZSA-N -1 3 395.427 0.374 20 0 GCADHM CS(=O)(=O)Cc1noc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)n1 ZINC000821933289 599568561 /nfs/dbraw/zinc/56/85/61/599568561.db2.gz ZIKGLEHWPZEFOE-UHFFFAOYSA-N -1 3 389.441 0.959 20 0 GCADHM CS(=O)(=O)Cc1noc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)n1 ZINC000821933289 599568563 /nfs/dbraw/zinc/56/85/63/599568563.db2.gz ZIKGLEHWPZEFOE-UHFFFAOYSA-N -1 3 389.441 0.959 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000737024575 599571171 /nfs/dbraw/zinc/57/11/71/599571171.db2.gz KPIZFVZZGDLIDG-CYBMUJFWSA-N -1 3 398.427 0.784 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000737024575 599571174 /nfs/dbraw/zinc/57/11/74/599571174.db2.gz KPIZFVZZGDLIDG-CYBMUJFWSA-N -1 3 398.427 0.784 20 0 GCADHM O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738078179 599574402 /nfs/dbraw/zinc/57/44/02/599574402.db2.gz ODVXZMAWUYZXGZ-UHFFFAOYSA-N -1 3 379.306 0.912 20 0 GCADHM O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738078179 599574404 /nfs/dbraw/zinc/57/44/04/599574404.db2.gz ODVXZMAWUYZXGZ-UHFFFAOYSA-N -1 3 379.306 0.912 20 0 GCADHM C[C@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CCCO1 ZINC000736286858 599577674 /nfs/dbraw/zinc/57/76/74/599577674.db2.gz OAJCURIINCQFOM-KPZWWZAWSA-N -1 3 385.428 0.702 20 0 GCADHM C[C@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CCCO1 ZINC000736286858 599577675 /nfs/dbraw/zinc/57/76/75/599577675.db2.gz OAJCURIINCQFOM-KPZWWZAWSA-N -1 3 385.428 0.702 20 0 GCADHM O=C(CN1CCNC(=O)[C@H]1c1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737882904 599587700 /nfs/dbraw/zinc/58/77/00/599587700.db2.gz LVGDQLRQFGKXEU-GOSISDBHSA-N -1 3 391.435 0.656 20 0 GCADHM O=C(CN1CCNC(=O)[C@H]1c1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737882904 599587702 /nfs/dbraw/zinc/58/77/02/599587702.db2.gz LVGDQLRQFGKXEU-GOSISDBHSA-N -1 3 391.435 0.656 20 0 GCADHM COC(=O)CN(CCOc1ccc(-c2nn[n-]n2)cc1OC)C1CCOCC1 ZINC000821662900 599592391 /nfs/dbraw/zinc/59/23/91/599592391.db2.gz YMZYQPIATJASHB-UHFFFAOYSA-N -1 3 391.428 0.908 20 0 GCADHM COC(=O)CN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000821662653 599592524 /nfs/dbraw/zinc/59/25/24/599592524.db2.gz MCSAXEBHOQNMEQ-UHFFFAOYSA-N -1 3 388.428 0.137 20 0 GCADHM COC(=O)CN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000821662653 599592527 /nfs/dbraw/zinc/59/25/27/599592527.db2.gz MCSAXEBHOQNMEQ-UHFFFAOYSA-N -1 3 388.428 0.137 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)N(C)CC1CC1 ZINC000737003611 599593917 /nfs/dbraw/zinc/59/39/17/599593917.db2.gz ZKKSGDZQCQGRGA-UHFFFAOYSA-N -1 3 380.474 0.902 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)N(C)CC1CC1 ZINC000737003611 599593918 /nfs/dbraw/zinc/59/39/18/599593918.db2.gz ZKKSGDZQCQGRGA-UHFFFAOYSA-N -1 3 380.474 0.902 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000826251033 607385825 /nfs/dbraw/zinc/38/58/25/607385825.db2.gz CETDJMQHULOXAK-WCQYABFASA-N -1 3 386.412 0.444 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000826251033 607385827 /nfs/dbraw/zinc/38/58/27/607385827.db2.gz CETDJMQHULOXAK-WCQYABFASA-N -1 3 386.412 0.444 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000735942265 599595076 /nfs/dbraw/zinc/59/50/76/599595076.db2.gz HAANFFQPMCTYIN-LBPRGKRZSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735942265 599595080 /nfs/dbraw/zinc/59/50/80/599595080.db2.gz HAANFFQPMCTYIN-LBPRGKRZSA-N -1 3 388.457 0.875 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2nnc3n2CCCCC3)c1-c1nnn[n-]1 ZINC000822323916 599597270 /nfs/dbraw/zinc/59/72/70/599597270.db2.gz ROZYFAIFJOANIU-UHFFFAOYSA-N -1 3 395.427 0.748 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2nnc3n2CCCCC3)c1-c1nn[n-]n1 ZINC000822323916 599597272 /nfs/dbraw/zinc/59/72/72/599597272.db2.gz ROZYFAIFJOANIU-UHFFFAOYSA-N -1 3 395.427 0.748 20 0 GCADHM CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820133395 599597416 /nfs/dbraw/zinc/59/74/16/599597416.db2.gz QSTIWGAMXCTGHP-UHFFFAOYSA-N -1 3 399.333 0.465 20 0 GCADHM CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820133395 599597418 /nfs/dbraw/zinc/59/74/18/599597418.db2.gz QSTIWGAMXCTGHP-UHFFFAOYSA-N -1 3 399.333 0.465 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H](C)CN1CCOCC1 ZINC000737298058 599597598 /nfs/dbraw/zinc/59/75/98/599597598.db2.gz NHOLAYJGCNQHIS-LBPRGKRZSA-N -1 3 380.474 0.422 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H](C)CN1CCOCC1 ZINC000737298058 599597599 /nfs/dbraw/zinc/59/75/99/599597599.db2.gz NHOLAYJGCNQHIS-LBPRGKRZSA-N -1 3 380.474 0.422 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737747687 599597871 /nfs/dbraw/zinc/59/78/71/599597871.db2.gz WHKFCEIQFODBGN-BDAKNGLRSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737747687 599597872 /nfs/dbraw/zinc/59/78/72/599597872.db2.gz WHKFCEIQFODBGN-BDAKNGLRSA-N -1 3 384.849 0.843 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)c1-c1nnn[n-]1 ZINC000822319220 599598031 /nfs/dbraw/zinc/59/80/31/599598031.db2.gz NUSVQZBDYNYXAC-UHFFFAOYSA-N -1 3 383.368 0.253 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)c1-c1nn[n-]n1 ZINC000822319220 599598033 /nfs/dbraw/zinc/59/80/33/599598033.db2.gz NUSVQZBDYNYXAC-UHFFFAOYSA-N -1 3 383.368 0.253 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)c1-c1nnn[n-]1 ZINC000822315146 599598352 /nfs/dbraw/zinc/59/83/52/599598352.db2.gz ZZBDPWTUZFJCKQ-UHFFFAOYSA-N -1 3 383.368 0.139 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)c1-c1nn[n-]n1 ZINC000822315146 599598354 /nfs/dbraw/zinc/59/83/54/599598354.db2.gz ZZBDPWTUZFJCKQ-UHFFFAOYSA-N -1 3 383.368 0.139 20 0 GCADHM CNC(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)c1 ZINC000821636662 599599406 /nfs/dbraw/zinc/59/94/06/599599406.db2.gz YBZLUMRISICCBN-UHFFFAOYSA-N -1 3 393.407 0.790 20 0 GCADHM CNC(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)c1 ZINC000821636662 599599408 /nfs/dbraw/zinc/59/94/08/599599408.db2.gz YBZLUMRISICCBN-UHFFFAOYSA-N -1 3 393.407 0.790 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(C)C)CC2)c1-c1nnn[n-]1 ZINC000822312385 599599975 /nfs/dbraw/zinc/59/99/75/599599975.db2.gz FTGHBEJMDVRKAK-UHFFFAOYSA-N -1 3 385.428 0.440 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(C)C)CC2)c1-c1nn[n-]n1 ZINC000822312385 599599977 /nfs/dbraw/zinc/59/99/77/599599977.db2.gz FTGHBEJMDVRKAK-UHFFFAOYSA-N -1 3 385.428 0.440 20 0 GCADHM O=C(NCc1cc[nH]n1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823246195 599600326 /nfs/dbraw/zinc/60/03/26/599600326.db2.gz GQHXBAGWEAFUAY-UHFFFAOYSA-N -1 3 380.290 0.864 20 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/nfs/dbraw/zinc/60/40/73/599604073.db2.gz IMPDGMKDIRJIQV-CHWSQXEVSA-N -1 3 387.444 0.339 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000822312689 599604075 /nfs/dbraw/zinc/60/40/75/599604075.db2.gz IMPDGMKDIRJIQV-CHWSQXEVSA-N -1 3 387.444 0.339 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cnn(-c2ncccn2)c1 ZINC000737889817 599604433 /nfs/dbraw/zinc/60/44/33/599604433.db2.gz QLFVRNUFUCSHDV-UHFFFAOYSA-N -1 3 390.367 0.211 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cnn(-c2ncccn2)c1 ZINC000737889817 599604434 /nfs/dbraw/zinc/60/44/34/599604434.db2.gz QLFVRNUFUCSHDV-UHFFFAOYSA-N -1 3 390.367 0.211 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)c1-c1nnn[n-]1 ZINC000822319844 599604665 /nfs/dbraw/zinc/60/46/65/599604665.db2.gz ZRHGRQYESVOWBK-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCN2CCOCC2(C)C)c1-c1nn[n-]n1 ZINC000822319844 599604667 /nfs/dbraw/zinc/60/46/67/599604667.db2.gz ZRHGRQYESVOWBK-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822309332 599605912 /nfs/dbraw/zinc/60/59/12/599605912.db2.gz UUIVUSNRNMASJA-JTQLQIEISA-N -1 3 380.430 0.005 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822309332 599605914 /nfs/dbraw/zinc/60/59/14/599605914.db2.gz UUIVUSNRNMASJA-JTQLQIEISA-N -1 3 380.430 0.005 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC2(C(=O)N(C)C)CCCC2)c1-c1nnn[n-]1 ZINC000822319631 599606200 /nfs/dbraw/zinc/60/62/00/599606200.db2.gz VPLNUCKTJHRVEK-UHFFFAOYSA-N -1 3 399.455 0.878 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC2(C(=O)N(C)C)CCCC2)c1-c1nn[n-]n1 ZINC000822319631 599606202 /nfs/dbraw/zinc/60/62/02/599606202.db2.gz VPLNUCKTJHRVEK-UHFFFAOYSA-N -1 3 399.455 0.878 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCOC2CCOCC2)c1-c1nnn[n-]1 ZINC000822318915 599610514 /nfs/dbraw/zinc/61/05/14/599610514.db2.gz BMYLELJVKPBOAQ-UHFFFAOYSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCOC2CCOCC2)c1-c1nn[n-]n1 ZINC000822318915 599610516 /nfs/dbraw/zinc/61/05/16/599610516.db2.gz BMYLELJVKPBOAQ-UHFFFAOYSA-N -1 3 388.428 0.816 20 0 GCADHM Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000822669677 599611044 /nfs/dbraw/zinc/61/10/44/599611044.db2.gz LPENJTGIJATYTB-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000822669677 599611046 /nfs/dbraw/zinc/61/10/46/599611046.db2.gz LPENJTGIJATYTB-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000823211482 599612069 /nfs/dbraw/zinc/61/20/69/599612069.db2.gz PVMDSSJZOQGQRM-UHFFFAOYSA-N -1 3 392.379 0.877 20 0 GCADHM Cn1cc(C2CCN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000737605271 599613038 /nfs/dbraw/zinc/61/30/38/599613038.db2.gz KUMQBJPSJQSTPY-UHFFFAOYSA-N -1 3 396.459 0.996 20 0 GCADHM Cn1cc(C2CCN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000737605271 599613040 /nfs/dbraw/zinc/61/30/40/599613040.db2.gz KUMQBJPSJQSTPY-UHFFFAOYSA-N -1 3 396.459 0.996 20 0 GCADHM CN(C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCN(C)C1=O ZINC000736852161 599613350 /nfs/dbraw/zinc/61/33/50/599613350.db2.gz NZWQZLFVVRJQEK-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM CN(C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCN(C)C1=O ZINC000736852161 599613352 /nfs/dbraw/zinc/61/33/52/599613352.db2.gz NZWQZLFVVRJQEK-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM Cn1nccc1C1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737626332 599613510 /nfs/dbraw/zinc/61/35/10/599613510.db2.gz AAHKPVRLFVGMPB-UHFFFAOYSA-N -1 3 396.459 0.996 20 0 GCADHM Cn1nccc1C1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737626332 599613512 /nfs/dbraw/zinc/61/35/12/599613512.db2.gz AAHKPVRLFVGMPB-UHFFFAOYSA-N -1 3 396.459 0.996 20 0 GCADHM O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738034013 599615012 /nfs/dbraw/zinc/61/50/12/599615012.db2.gz DVORMHQMRLHOFX-ZDUSSCGKSA-N -1 3 394.443 0.305 20 0 GCADHM O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738034013 599615013 /nfs/dbraw/zinc/61/50/13/599615013.db2.gz DVORMHQMRLHOFX-ZDUSSCGKSA-N -1 3 394.443 0.305 20 0 GCADHM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820138232 599615482 /nfs/dbraw/zinc/61/54/82/599615482.db2.gz RZUOHWDAHQOXCF-VIFPVBQESA-N -1 3 378.364 0.648 20 0 GCADHM CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820138232 599615483 /nfs/dbraw/zinc/61/54/83/599615483.db2.gz RZUOHWDAHQOXCF-VIFPVBQESA-N -1 3 378.364 0.648 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000735942267 599615598 /nfs/dbraw/zinc/61/55/98/599615598.db2.gz HAVBPGLMVLVFFP-ZDUSSCGKSA-N -1 3 395.427 0.651 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735942267 599615599 /nfs/dbraw/zinc/61/55/99/599615599.db2.gz HAVBPGLMVLVFFP-ZDUSSCGKSA-N -1 3 395.427 0.651 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000735942266 599615601 /nfs/dbraw/zinc/61/56/01/599615601.db2.gz HAVBPGLMVLVFFP-CYBMUJFWSA-N -1 3 395.427 0.651 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735942266 599615602 /nfs/dbraw/zinc/61/56/02/599615602.db2.gz HAVBPGLMVLVFFP-CYBMUJFWSA-N -1 3 395.427 0.651 20 0 GCADHM CN1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCC1=O ZINC000736845804 599615950 /nfs/dbraw/zinc/61/59/50/599615950.db2.gz NFJRKIZUPBJMCK-SECBINFHSA-N -1 3 377.792 0.196 20 0 GCADHM CN1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCC1=O ZINC000736845804 599615952 /nfs/dbraw/zinc/61/59/52/599615952.db2.gz NFJRKIZUPBJMCK-SECBINFHSA-N -1 3 377.792 0.196 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000822215298 599616235 /nfs/dbraw/zinc/61/62/35/599616235.db2.gz UZGXXNRPVVUXPK-UHFFFAOYSA-N -1 3 399.455 0.971 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000822215298 599616236 /nfs/dbraw/zinc/61/62/36/599616236.db2.gz UZGXXNRPVVUXPK-UHFFFAOYSA-N -1 3 399.455 0.971 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000737490735 599616492 /nfs/dbraw/zinc/61/64/92/599616492.db2.gz VYMBFLOEDWUVQP-UHFFFAOYSA-N -1 3 384.375 0.800 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000737490735 599616494 /nfs/dbraw/zinc/61/64/94/599616494.db2.gz VYMBFLOEDWUVQP-UHFFFAOYSA-N -1 3 384.375 0.800 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000738152723 599616783 /nfs/dbraw/zinc/61/67/83/599616783.db2.gz ZJOHUHBMANZBEW-UHFFFAOYSA-N -1 3 380.412 0.941 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000738152723 599616784 /nfs/dbraw/zinc/61/67/84/599616784.db2.gz ZJOHUHBMANZBEW-UHFFFAOYSA-N -1 3 380.412 0.941 20 0 GCADHM C[C@H](CCO)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820241872 599617109 /nfs/dbraw/zinc/61/71/09/599617109.db2.gz JFNUQMODCCKAHP-MRVPVSSYSA-N -1 3 386.334 0.959 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000737738524 599617112 /nfs/dbraw/zinc/61/71/12/599617112.db2.gz JPNGUXUKUQRWCR-BDAKNGLRSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000737738524 599617114 /nfs/dbraw/zinc/61/71/14/599617114.db2.gz JPNGUXUKUQRWCR-BDAKNGLRSA-N -1 3 391.819 0.619 20 0 GCADHM C[C@H](CCO)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820241872 599617110 /nfs/dbraw/zinc/61/71/10/599617110.db2.gz JFNUQMODCCKAHP-MRVPVSSYSA-N -1 3 386.334 0.959 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000738177057 599617169 /nfs/dbraw/zinc/61/71/69/599617169.db2.gz DUWDPOXNHLSEDK-UHFFFAOYSA-N -1 3 380.412 0.941 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000738177057 599617171 /nfs/dbraw/zinc/61/71/71/599617171.db2.gz DUWDPOXNHLSEDK-UHFFFAOYSA-N -1 3 380.412 0.941 20 0 GCADHM CCn1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000821565236 599619215 /nfs/dbraw/zinc/61/92/15/599619215.db2.gz KEVPCUMPFAXSGT-NSHDSACASA-N -1 3 381.396 0.864 20 0 GCADHM CCn1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000821565236 599619216 /nfs/dbraw/zinc/61/92/16/599619216.db2.gz KEVPCUMPFAXSGT-NSHDSACASA-N -1 3 381.396 0.864 20 0 GCADHM Cn1cc(-c2cccc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)c2)cn1 ZINC000822604969 599622487 /nfs/dbraw/zinc/62/24/87/599622487.db2.gz SCIAFRWLOOAIHA-UHFFFAOYSA-N -1 3 379.384 0.903 20 0 GCADHM Cn1cc(-c2cccc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)c2)cn1 ZINC000822604969 599622488 /nfs/dbraw/zinc/62/24/88/599622488.db2.gz SCIAFRWLOOAIHA-UHFFFAOYSA-N -1 3 379.384 0.903 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000821594033 599633577 /nfs/dbraw/zinc/63/35/77/599633577.db2.gz WAMURPBOIPSYFO-UHFFFAOYSA-N -1 3 378.336 0.715 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)S(C)(=O)=O ZINC000821594033 599633578 /nfs/dbraw/zinc/63/35/78/599633578.db2.gz WAMURPBOIPSYFO-UHFFFAOYSA-N -1 3 378.336 0.715 20 0 GCADHM COC(=O)CN(CC(=O)OC)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821662795 599637879 /nfs/dbraw/zinc/63/78/79/599637879.db2.gz TYCLNWRDBMNJQW-UHFFFAOYSA-N -1 3 387.356 0.065 20 0 GCADHM COC(=O)CN(CC(=O)OC)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821662795 599637880 /nfs/dbraw/zinc/63/78/80/599637880.db2.gz TYCLNWRDBMNJQW-UHFFFAOYSA-N -1 3 387.356 0.065 20 0 GCADHM O=C(CCN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822964930 599638977 /nfs/dbraw/zinc/63/89/77/599638977.db2.gz TXEFZFFQVGYQDO-OAHLLOKOSA-N -1 3 390.469 0.847 20 0 GCADHM COCCOC[C@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821692083 599642790 /nfs/dbraw/zinc/64/27/90/599642790.db2.gz NQWZFODOFZNMNZ-ZDUSSCGKSA-N -1 3 378.433 1.000 20 0 GCADHM O=C(CN1CCNC(=O)[C@@H]1c1cccs1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823001251 599644129 /nfs/dbraw/zinc/64/41/29/599644129.db2.gz JAWUNRZYPVSLOY-INIZCTEOSA-N -1 3 397.464 0.718 20 0 GCADHM O=C(CN1CCNC(=O)[C@@H]1c1cccs1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823001251 599644130 /nfs/dbraw/zinc/64/41/30/599644130.db2.gz JAWUNRZYPVSLOY-INIZCTEOSA-N -1 3 397.464 0.718 20 0 GCADHM CCc1nsc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000821559045 599644721 /nfs/dbraw/zinc/64/47/21/599644721.db2.gz QKNPAACDXBZORN-CQSZACIVSA-N -1 3 399.484 0.629 20 0 GCADHM CCc1nsc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000821559045 599644722 /nfs/dbraw/zinc/64/47/22/599644722.db2.gz QKNPAACDXBZORN-CQSZACIVSA-N -1 3 399.484 0.629 20 0 GCADHM O=C1CN(CN2C[C@H]3CC[C@@H](C2)O3)C(=O)N1Cc1ccccc1-c1nnn[n-]1 ZINC000823535923 599646748 /nfs/dbraw/zinc/64/67/48/599646748.db2.gz MKAHOFUNYABHKQ-OKILXGFUSA-N -1 3 383.412 0.452 20 0 GCADHM O=C1CN(CN2C[C@H]3CC[C@@H](C2)O3)C(=O)N1Cc1ccccc1-c1nn[n-]n1 ZINC000823535923 599646749 /nfs/dbraw/zinc/64/67/49/599646749.db2.gz MKAHOFUNYABHKQ-OKILXGFUSA-N -1 3 383.412 0.452 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000820543518 599651775 /nfs/dbraw/zinc/65/17/75/599651775.db2.gz YYTLLDTVVFEYDH-PISHQANHSA-N -1 3 399.411 0.129 20 0 GCADHM 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398.345 0.915 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000820833169 607505506 /nfs/dbraw/zinc/50/55/06/607505506.db2.gz SNUCAYAPUYJRIR-VIFPVBQESA-N -1 3 378.414 0.668 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000820833169 607505508 /nfs/dbraw/zinc/50/55/08/607505508.db2.gz SNUCAYAPUYJRIR-VIFPVBQESA-N -1 3 378.414 0.668 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820833175 607505753 /nfs/dbraw/zinc/50/57/53/607505753.db2.gz SRCRAORIWXAFEG-NWDGAFQWSA-N -1 3 386.412 0.995 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820833175 607505754 /nfs/dbraw/zinc/50/57/54/607505754.db2.gz SRCRAORIWXAFEG-NWDGAFQWSA-N -1 3 386.412 0.995 20 0 GCADHM CCN(C[C@@H]1CN(Cc2ccnc(-c3nnn[n-]3)c2)CCO1)c1cccnn1 ZINC000825419071 607507779 /nfs/dbraw/zinc/50/77/79/607507779.db2.gz FYXDEPLLTMYTBO-HNNXBMFYSA-N -1 3 381.444 0.779 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)CCO ZINC000824632965 607511435 /nfs/dbraw/zinc/51/14/35/607511435.db2.gz FVKQJOFMPSOMDL-LLVKDONJSA-N -1 3 396.473 0.058 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)CCO ZINC000824632965 607511437 /nfs/dbraw/zinc/51/14/37/607511437.db2.gz FVKQJOFMPSOMDL-LLVKDONJSA-N -1 3 396.473 0.058 20 0 GCADHM COC[C@@](C)(CC(=O)[O-])NCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000831577347 601487035 /nfs/dbraw/zinc/48/70/35/601487035.db2.gz FHAFSYDFRJDSOM-MRXNPFEDSA-N -1 3 387.458 0.345 20 0 GCADHM COC[C@@](C)(CC(=O)[O-])NCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000831572807 601487869 /nfs/dbraw/zinc/48/78/69/601487869.db2.gz GAHCBLGQDHMYMG-HXUWFJFHSA-N -1 3 391.468 0.877 20 0 GCADHM COC[C@](C)(CC(=O)[O-])NCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C ZINC000831573523 601490397 /nfs/dbraw/zinc/49/03/97/601490397.db2.gz PPFJYDTXFBIYGR-GTNSWQLSSA-N -1 3 399.469 0.081 20 0 GCADHM COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000832310780 601495111 /nfs/dbraw/zinc/49/51/11/601495111.db2.gz HBQPUMBJNLSZOH-CYBMUJFWSA-N -1 3 379.413 0.397 20 0 GCADHM C[C@H]1CN(CC(=O)NCc2ccccc2CN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000828441384 601528513 /nfs/dbraw/zinc/52/85/13/601528513.db2.gz PYVMMANHRGGLMV-YJBOKZPZSA-N -1 3 375.469 0.788 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cc(C(F)(F)F)n[nH]1 ZINC000826411979 607514420 /nfs/dbraw/zinc/51/44/20/607514420.db2.gz WJRKISKYZVWCFM-UHFFFAOYSA-N -1 3 380.290 0.977 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000825999531 601570591 /nfs/dbraw/zinc/57/05/91/601570591.db2.gz DDMHGKSBOVCDID-BPQIPLTHSA-N -1 3 375.469 0.941 20 0 GCADHM COC[C@@](C)(NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)[O-] ZINC000831628072 601696178 /nfs/dbraw/zinc/69/61/78/601696178.db2.gz WBJDQLQWPTYHFN-LJQANCHMSA-N -1 3 387.440 0.783 20 0 GCADHM O=C(CC[C@H]1NC(=O)NC1=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833097643 601731312 /nfs/dbraw/zinc/73/13/12/601731312.db2.gz QDBQPLISXWAHPR-KUHUBIRLSA-N -1 3 388.424 0.210 20 0 GCADHM O=C(CN1CSCC1=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833109122 601731784 /nfs/dbraw/zinc/73/17/84/601731784.db2.gz HYTUVGRYYGUTRS-SFHVURJKSA-N -1 3 377.466 0.755 20 0 GCADHM O=C([O-])[C@]1(NC(=O)Cc2nc3ncccn3n2)CCCN(Cc2ccccc2)C1 ZINC000833120021 601733594 /nfs/dbraw/zinc/73/35/94/601733594.db2.gz ZYLTUVJDCPOFKE-FQEVSTJZSA-N -1 3 394.435 0.902 20 0 GCADHM O=S1(=O)CCCN1CCN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826497048 607525101 /nfs/dbraw/zinc/52/51/01/607525101.db2.gz SGTKNMBDOVUTJM-UHFFFAOYSA-N -1 3 395.464 0.163 20 0 GCADHM CCN1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])cc2)CC1 ZINC000829780790 601765113 /nfs/dbraw/zinc/76/51/13/601765113.db2.gz KMNKDSUHKFDATA-UHFFFAOYSA-N -1 3 376.457 0.994 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCCNC2=O)CC1 ZINC000826389501 607526113 /nfs/dbraw/zinc/52/61/13/607526113.db2.gz ZWRABSRXECTOHM-HNNXBMFYSA-N -1 3 384.444 0.273 20 0 GCADHM CCN1CCN(Cc2ccc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])cc2)CC1 ZINC000829776965 601776173 /nfs/dbraw/zinc/77/61/73/601776173.db2.gz ZLWCKIHIZAWIRF-HNNXBMFYSA-N -1 3 383.514 0.964 20 0 GCADHM S=C(NC[C@@H]1CCOC1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826512011 607531231 /nfs/dbraw/zinc/53/12/31/607531231.db2.gz LQNNBAPPYLKVNU-HNNXBMFYSA-N -1 3 387.513 0.895 20 0 GCADHM CN(C)C[C@@H]1CN(CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)CCO1 ZINC000830600927 601880261 /nfs/dbraw/zinc/88/02/61/601880261.db2.gz RTWFPHVFLYMJNL-OAHLLOKOSA-N -1 3 376.413 0.373 20 0 GCADHM S=C(NC[C@@H]1CCOC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826511866 607533325 /nfs/dbraw/zinc/53/33/25/607533325.db2.gz HRGIXBMOXFOLOX-LBPRGKRZSA-N -1 3 388.501 0.731 20 0 GCADHM S=C(NC[C@@H]1CCOC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826511866 607533327 /nfs/dbraw/zinc/53/33/27/607533327.db2.gz HRGIXBMOXFOLOX-LBPRGKRZSA-N -1 3 388.501 0.731 20 0 GCADHM Cc1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826301674 607536041 /nfs/dbraw/zinc/53/60/41/607536041.db2.gz MDNWDDMNOZWMDZ-ZDUSSCGKSA-N -1 3 384.421 0.780 20 0 GCADHM Cc1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826301674 607536043 /nfs/dbraw/zinc/53/60/43/607536043.db2.gz MDNWDDMNOZWMDZ-ZDUSSCGKSA-N -1 3 384.421 0.780 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000825599054 607536763 /nfs/dbraw/zinc/53/67/63/607536763.db2.gz GTOGNVWCQYCABU-AWEZNQCLSA-N -1 3 390.448 0.511 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000825599054 607536764 /nfs/dbraw/zinc/53/67/64/607536764.db2.gz GTOGNVWCQYCABU-AWEZNQCLSA-N -1 3 390.448 0.511 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084047 607537687 /nfs/dbraw/zinc/53/76/87/607537687.db2.gz ULDUTRHVRULBAC-GXFFZTMASA-N -1 3 379.446 0.261 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084047 607537688 /nfs/dbraw/zinc/53/76/88/607537688.db2.gz ULDUTRHVRULBAC-GXFFZTMASA-N -1 3 379.446 0.261 20 0 GCADHM CC(C)(C)[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1nc(-c2nc[nH]n2)no1 ZINC000824070872 607538781 /nfs/dbraw/zinc/53/87/81/607538781.db2.gz DYCVRVKPUPWKPI-SECBINFHSA-N -1 3 383.376 0.880 20 0 GCADHM CC(C)(C)[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1nc(-c2nc[nH]n2)no1 ZINC000824070872 607538782 /nfs/dbraw/zinc/53/87/82/607538782.db2.gz DYCVRVKPUPWKPI-SECBINFHSA-N -1 3 383.376 0.880 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826084317 607539533 /nfs/dbraw/zinc/53/95/33/607539533.db2.gz YTJAQQUCCCMAJN-ZWNOBZJWSA-N -1 3 379.446 0.261 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826084317 607539534 /nfs/dbraw/zinc/53/95/34/607539534.db2.gz YTJAQQUCCCMAJN-ZWNOBZJWSA-N -1 3 379.446 0.261 20 0 GCADHM Cc1cccc(NC(=O)NC(=O)CNC2(C(=O)[O-])CCS(=O)(=O)CC2)c1C ZINC000832971197 602061384 /nfs/dbraw/zinc/06/13/84/602061384.db2.gz QFLRQZYDBFBPLR-UHFFFAOYSA-N -1 3 397.453 0.573 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000826083528 607542576 /nfs/dbraw/zinc/54/25/76/607542576.db2.gz LVIZWVTZNNKWFR-VIFPVBQESA-N -1 3 395.395 0.821 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000826083528 607542577 /nfs/dbraw/zinc/54/25/77/607542577.db2.gz LVIZWVTZNNKWFR-VIFPVBQESA-N -1 3 395.395 0.821 20 0 GCADHM CNC(=O)c1nn(Cc2ccc(OC)c(-c3nnn[n-]3)c2)c(=O)c2ccccc21 ZINC000826073166 607543634 /nfs/dbraw/zinc/54/36/34/607543634.db2.gz HMEGJCVXZOGHFZ-UHFFFAOYSA-N -1 3 391.391 0.993 20 0 GCADHM CNC(=O)c1nn(Cc2ccc(OC)c(-c3nn[n-]n3)c2)c(=O)c2ccccc21 ZINC000826073166 607543636 /nfs/dbraw/zinc/54/36/36/607543636.db2.gz HMEGJCVXZOGHFZ-UHFFFAOYSA-N -1 3 391.391 0.993 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)c1-c1nnn[n-]1 ZINC000826301970 607545739 /nfs/dbraw/zinc/54/57/39/607545739.db2.gz WMLBLUMCAONPKG-UHFFFAOYSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)c1-c1nn[n-]n1 ZINC000826301970 607545740 /nfs/dbraw/zinc/54/57/40/607545740.db2.gz WMLBLUMCAONPKG-UHFFFAOYSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1-c1nnn[n-]1 ZINC000826301784 607550527 /nfs/dbraw/zinc/55/05/27/607550527.db2.gz POQKEECFZCHIKD-OLZOCXBDSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC000826301784 607550528 /nfs/dbraw/zinc/55/05/28/607550528.db2.gz POQKEECFZCHIKD-OLZOCXBDSA-N -1 3 379.442 0.744 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825658860 607546369 /nfs/dbraw/zinc/54/63/69/607546369.db2.gz LAWPSNIJRYNPGR-LLVKDONJSA-N -1 3 387.487 0.619 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825658860 607546370 /nfs/dbraw/zinc/54/63/70/607546370.db2.gz LAWPSNIJRYNPGR-LLVKDONJSA-N -1 3 387.487 0.619 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000825605315 607551299 /nfs/dbraw/zinc/55/12/99/607551299.db2.gz UZYORMZMMPTQMM-AWEZNQCLSA-N -1 3 381.458 0.991 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000825605315 607551301 /nfs/dbraw/zinc/55/13/01/607551301.db2.gz UZYORMZMMPTQMM-AWEZNQCLSA-N -1 3 381.458 0.991 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826300764 607547002 /nfs/dbraw/zinc/54/70/02/607547002.db2.gz GBHTVQJUHNVZFV-MNOVXSKESA-N -1 3 387.487 0.617 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826300764 607547003 /nfs/dbraw/zinc/54/70/03/607547003.db2.gz GBHTVQJUHNVZFV-MNOVXSKESA-N -1 3 387.487 0.617 20 0 GCADHM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000831578466 602206490 /nfs/dbraw/zinc/20/64/90/602206490.db2.gz OIIOKXZMDXBFNT-HNNXBMFYSA-N -1 3 382.808 0.724 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083595 607552980 /nfs/dbraw/zinc/55/29/80/607552980.db2.gz OALWAZGOZRRIJA-ZDUSSCGKSA-N -1 3 396.498 0.250 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083595 607552982 /nfs/dbraw/zinc/55/29/82/607552982.db2.gz OALWAZGOZRRIJA-ZDUSSCGKSA-N -1 3 396.498 0.250 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000830934572 602221810 /nfs/dbraw/zinc/22/18/10/602221810.db2.gz HSNRNHSSRCTPOV-CYBMUJFWSA-N -1 3 399.444 0.451 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000830935351 602221877 /nfs/dbraw/zinc/22/18/77/602221877.db2.gz WRVMJLDWNSBALN-MRXNPFEDSA-N -1 3 395.481 0.453 20 0 GCADHM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000832869026 602222407 /nfs/dbraw/zinc/22/24/07/602222407.db2.gz FZBAGLQGKVSDEO-HNNXBMFYSA-N -1 3 395.481 0.620 20 0 GCADHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000832919293 602222541 /nfs/dbraw/zinc/22/25/41/602222541.db2.gz CCTDZTFPDCTFLJ-HNNXBMFYSA-N -1 3 395.481 0.620 20 0 GCADHM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C(=O)[O-] ZINC000832954801 602222574 /nfs/dbraw/zinc/22/25/74/602222574.db2.gz 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CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](S(=O)(=O)NC)C1 ZINC000825620522 607559510 /nfs/dbraw/zinc/55/95/10/607559510.db2.gz CSVVSGPBXTZSAB-LLVKDONJSA-N -1 3 395.445 0.421 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000825599036 607559550 /nfs/dbraw/zinc/55/95/50/607559550.db2.gz GIRQHJOSTRHGIM-AWEZNQCLSA-N -1 3 388.428 0.768 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000825599036 607559552 /nfs/dbraw/zinc/55/95/52/607559552.db2.gz GIRQHJOSTRHGIM-AWEZNQCLSA-N -1 3 388.428 0.768 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000825599202 607559737 /nfs/dbraw/zinc/55/97/37/607559737.db2.gz JJZJZAMEEQHWFH-LBPRGKRZSA-N -1 3 392.391 0.598 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825599202 607559738 /nfs/dbraw/zinc/55/97/38/607559738.db2.gz JJZJZAMEEQHWFH-LBPRGKRZSA-N -1 3 392.391 0.598 20 0 GCADHM NS(=O)(=O)c1ccc(NCCOc2ncccc2F)c(-c2nnn[n-]2)c1 ZINC000826395333 607564030 /nfs/dbraw/zinc/56/40/30/607564030.db2.gz WYUVUMSSNCQOQS-UHFFFAOYSA-N -1 3 379.377 0.539 20 0 GCADHM NS(=O)(=O)c1ccc(NCCOc2ncccc2F)c(-c2nn[n-]n2)c1 ZINC000826395333 607564031 /nfs/dbraw/zinc/56/40/31/607564031.db2.gz WYUVUMSSNCQOQS-UHFFFAOYSA-N -1 3 379.377 0.539 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000826501149 607564747 /nfs/dbraw/zinc/56/47/47/607564747.db2.gz BPRCVIZOWBSVEU-UHFFFAOYSA-N -1 3 393.816 0.763 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000826501149 607564748 /nfs/dbraw/zinc/56/47/48/607564748.db2.gz BPRCVIZOWBSVEU-UHFFFAOYSA-N -1 3 393.816 0.763 20 0 GCADHM COc1ccc(CNC(=O)NCCOC[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826199924 607564931 /nfs/dbraw/zinc/56/49/31/607564931.db2.gz RKKKNUIUFSIPGS-ZDUSSCGKSA-N -1 3 376.417 0.728 20 0 GCADHM COc1ccc(CNC(=O)NCCOC[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826199924 607564933 /nfs/dbraw/zinc/56/49/33/607564933.db2.gz RKKKNUIUFSIPGS-ZDUSSCGKSA-N -1 3 376.417 0.728 20 0 GCADHM COc1ccc(CNC(=O)NCC2CCN(C(C)=O)CC2)cc1-c1nnn[n-]1 ZINC000826199514 607565050 /nfs/dbraw/zinc/56/50/50/607565050.db2.gz BKFNVRZBBBKTCU-UHFFFAOYSA-N -1 3 387.444 0.933 20 0 GCADHM COc1ccc(CNC(=O)NCC2CCN(C(C)=O)CC2)cc1-c1nn[n-]n1 ZINC000826199514 607565052 /nfs/dbraw/zinc/56/50/52/607565052.db2.gz BKFNVRZBBBKTCU-UHFFFAOYSA-N -1 3 387.444 0.933 20 0 GCADHM COc1ccc(CNC(=O)NCCOC[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826199923 607565246 /nfs/dbraw/zinc/56/52/46/607565246.db2.gz RKKKNUIUFSIPGS-CYBMUJFWSA-N -1 3 376.417 0.728 20 0 GCADHM COc1ccc(CNC(=O)NCCOC[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826199923 607565247 /nfs/dbraw/zinc/56/52/47/607565247.db2.gz RKKKNUIUFSIPGS-CYBMUJFWSA-N -1 3 376.417 0.728 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000826501352 607565563 /nfs/dbraw/zinc/56/55/63/607565563.db2.gz MALRURMIOXJLQC-UHFFFAOYSA-N -1 3 377.361 0.248 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000826399380 607566319 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CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825658785 607568912 /nfs/dbraw/zinc/56/89/12/607568912.db2.gz KIHKCRILTRUVTA-SNVBAGLBSA-N -1 3 382.446 0.498 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CCc2nnc(C)n2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117999 607565913 /nfs/dbraw/zinc/56/59/13/607565913.db2.gz WOSHSUANCQSXPU-ZFWWWQNUSA-N -1 3 397.395 0.787 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CCc2nnc(C)n2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117999 607565914 /nfs/dbraw/zinc/56/59/14/607565914.db2.gz WOSHSUANCQSXPU-ZFWWWQNUSA-N -1 3 397.395 0.787 20 0 GCADHM Cc1nc(NC(=O)c2cnn3c2CCCC3)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826326716 607566060 /nfs/dbraw/zinc/56/60/60/607566060.db2.gz BAMSKKKBCUNDMR-UHFFFAOYSA-N -1 3 390.411 0.963 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H](O)C2CCOCC2)cc1-c1nnn[n-]1 ZINC000826199899 607575457 /nfs/dbraw/zinc/57/54/57/607575457.db2.gz QDIKVEOQTKLLIW-CQSZACIVSA-N -1 3 376.417 0.462 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H](O)C2CCOCC2)cc1-c1nn[n-]n1 ZINC000826199899 607575458 /nfs/dbraw/zinc/57/54/58/607575458.db2.gz QDIKVEOQTKLLIW-CQSZACIVSA-N -1 3 376.417 0.462 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(c3cnccn3)CC2)cc1-c1nnn[n-]1 ZINC000826198229 607576743 /nfs/dbraw/zinc/57/67/43/607576743.db2.gz QUMPYBLTBZRJTI-UHFFFAOYSA-N -1 3 395.427 0.697 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(c3cnccn3)CC2)cc1-c1nn[n-]n1 ZINC000826198229 607576745 /nfs/dbraw/zinc/57/67/45/607576745.db2.gz QUMPYBLTBZRJTI-UHFFFAOYSA-N -1 3 395.427 0.697 20 0 GCADHM COCCOCCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826160868 607580582 /nfs/dbraw/zinc/58/05/82/607580582.db2.gz KICQGKFLQQKCEP-UHFFFAOYSA-N -1 3 375.838 0.852 20 0 GCADHM COCCOCCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826160868 607580584 /nfs/dbraw/zinc/58/05/84/607580584.db2.gz KICQGKFLQQKCEP-UHFFFAOYSA-N -1 3 375.838 0.852 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)NC1CC1 ZINC000826412773 607580911 /nfs/dbraw/zinc/58/09/11/607580911.db2.gz COAUNJSWCSQHTA-UHFFFAOYSA-N -1 3 390.347 0.442 20 0 GCADHM C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000824984673 607581326 /nfs/dbraw/zinc/58/13/26/607581326.db2.gz MADGYKZSXWKSMV-VXGBXAGGSA-N -1 3 398.464 0.783 20 0 GCADHM C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000824984673 607581328 /nfs/dbraw/zinc/58/13/28/607581328.db2.gz MADGYKZSXWKSMV-VXGBXAGGSA-N -1 3 398.464 0.783 20 0 GCADHM C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000824984672 607581438 /nfs/dbraw/zinc/58/14/38/607581438.db2.gz MADGYKZSXWKSMV-TXEJJXNPSA-N -1 3 398.464 0.783 20 0 GCADHM C[C@@H]1CN(CCCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824984672 607581439 /nfs/dbraw/zinc/58/14/39/607581439.db2.gz MADGYKZSXWKSMV-TXEJJXNPSA-N -1 3 398.464 0.783 20 0 GCADHM COc1ccc(CNC(=O)CC2(CS(C)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000826197089 607582432 /nfs/dbraw/zinc/58/24/32/607582432.db2.gz ZBXGHRLDUFRWIH-UHFFFAOYSA-N -1 3 379.442 0.706 20 0 GCADHM COc1ccc(CNC(=O)CC2(CS(C)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000826197089 607582433 /nfs/dbraw/zinc/58/24/33/607582433.db2.gz ZBXGHRLDUFRWIH-UHFFFAOYSA-N -1 3 379.442 0.706 20 0 GCADHM O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826480911 607582645 /nfs/dbraw/zinc/58/26/45/607582645.db2.gz XPHYIBZWXKLVAD-UHFFFAOYSA-N -1 3 384.849 0.811 20 0 GCADHM O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826480911 607582647 /nfs/dbraw/zinc/58/26/47/607582647.db2.gz XPHYIBZWXKLVAD-UHFFFAOYSA-N -1 3 384.849 0.811 20 0 GCADHM CNC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826073021 607583533 /nfs/dbraw/zinc/58/35/33/607583533.db2.gz ATBWXURVXJZUGU-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM CC(C)CN1CCO[C@H](CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824262210 607584633 /nfs/dbraw/zinc/58/46/33/607584633.db2.gz YFCYNDRZRVADTO-CYBMUJFWSA-N -1 3 398.464 0.641 20 0 GCADHM CC(C)CN1CCO[C@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824262210 607584635 /nfs/dbraw/zinc/58/46/35/607584635.db2.gz YFCYNDRZRVADTO-CYBMUJFWSA-N -1 3 398.464 0.641 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826437215 607588713 /nfs/dbraw/zinc/58/87/13/607588713.db2.gz AUFNWHPUJVWAHT-UHFFFAOYSA-N -1 3 378.439 0.637 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826437215 607588715 /nfs/dbraw/zinc/58/87/15/607588715.db2.gz AUFNWHPUJVWAHT-UHFFFAOYSA-N -1 3 378.439 0.637 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)N1CCCCC1 ZINC000826412909 607589789 /nfs/dbraw/zinc/58/97/89/607589789.db2.gz IYIOTLNTWHLZAM-UHFFFAOYSA-N -1 3 384.849 0.811 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)N1CCCCC1 ZINC000826412909 607589790 /nfs/dbraw/zinc/58/97/90/607589790.db2.gz IYIOTLNTWHLZAM-UHFFFAOYSA-N -1 3 384.849 0.811 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CCS(C)(=O)=O)C(C)C ZINC000826279041 607812040 /nfs/dbraw/zinc/81/20/40/607812040.db2.gz CWWZQLQDRMKMIT-UHFFFAOYSA-N -1 3 387.487 0.619 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CCS(C)(=O)=O)C(C)C ZINC000826279041 607812041 /nfs/dbraw/zinc/81/20/41/607812041.db2.gz CWWZQLQDRMKMIT-UHFFFAOYSA-N -1 3 387.487 0.619 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000825033934 607594070 /nfs/dbraw/zinc/59/40/70/607594070.db2.gz AERNLLMCTCMQFU-UHFFFAOYSA-N -1 3 378.458 0.808 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000825033934 607594072 /nfs/dbraw/zinc/59/40/72/607594072.db2.gz AERNLLMCTCMQFU-UHFFFAOYSA-N -1 3 378.458 0.808 20 0 GCADHM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826053810 607594349 /nfs/dbraw/zinc/59/43/49/607594349.db2.gz ZYDIQAMNSDVYSB-LURJTMIESA-N -1 3 378.336 0.298 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1nccs1 ZINC000826412988 607594819 /nfs/dbraw/zinc/59/48/19/607594819.db2.gz MEYBRQZNIRYAPD-UHFFFAOYSA-N -1 3 380.411 0.345 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1nccs1 ZINC000826412988 607594821 /nfs/dbraw/zinc/59/48/21/607594821.db2.gz MEYBRQZNIRYAPD-UHFFFAOYSA-N -1 3 380.411 0.345 20 0 GCADHM O=S(=O)(NC1CCC2(CC1)OCCO2)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826488109 607590806 /nfs/dbraw/zinc/59/08/06/607590806.db2.gz IGDZXNDLYAVAMO-UHFFFAOYSA-N -1 3 383.405 0.970 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1cccs1 ZINC000826437244 607590837 /nfs/dbraw/zinc/59/08/37/607590837.db2.gz BXIMTUJVERNCIQ-UHFFFAOYSA-N -1 3 378.439 0.637 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1cccs1 ZINC000826437244 607590839 /nfs/dbraw/zinc/59/08/39/607590839.db2.gz BXIMTUJVERNCIQ-UHFFFAOYSA-N -1 3 378.439 0.637 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1cccs1 ZINC000826437623 607590911 /nfs/dbraw/zinc/59/09/11/607590911.db2.gz UAXRZKQKIYDNNI-UHFFFAOYSA-N -1 3 396.429 0.776 20 0 GCADHM CN1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000826028527 607596158 /nfs/dbraw/zinc/59/61/58/607596158.db2.gz BTMIPGWYAIJRAX-SECBINFHSA-N -1 3 376.364 0.868 20 0 GCADHM COCCOCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826160954 607597649 /nfs/dbraw/zinc/59/76/49/607597649.db2.gz NUTHDAVRBMOBMQ-UHFFFAOYSA-N -1 3 395.363 0.827 20 0 GCADHM COc1ccc(COC(=O)c2ccc(S(N)(=O)=O)cc2)cc1-c1nnn[n-]1 ZINC000826206409 607597881 /nfs/dbraw/zinc/59/78/81/607597881.db2.gz RPDOBYCLXWOCIN-UHFFFAOYSA-N -1 3 389.393 0.880 20 0 GCADHM COc1ccc(COC(=O)c2ccc(S(N)(=O)=O)cc2)cc1-c1nn[n-]n1 ZINC000826206409 607597882 /nfs/dbraw/zinc/59/78/82/607597882.db2.gz RPDOBYCLXWOCIN-UHFFFAOYSA-N -1 3 389.393 0.880 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)NCc1ccco1 ZINC000824650873 607600047 /nfs/dbraw/zinc/60/00/47/607600047.db2.gz VJKOXUCECYGXHF-JTQLQIEISA-N -1 3 376.398 0.443 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)NCc1ccco1 ZINC000824650873 607600048 /nfs/dbraw/zinc/60/00/48/607600048.db2.gz VJKOXUCECYGXHF-JTQLQIEISA-N -1 3 376.398 0.443 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1Cc1ccccc1 ZINC000826477995 607601204 /nfs/dbraw/zinc/60/12/04/607601204.db2.gz QVDYKVXVZWXFAG-OAHLLOKOSA-N -1 3 398.448 0.946 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000826477995 607601205 /nfs/dbraw/zinc/60/12/05/607601205.db2.gz QVDYKVXVZWXFAG-OAHLLOKOSA-N -1 3 398.448 0.946 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1-c1nnn[n-]1 ZINC000826303405 607602182 /nfs/dbraw/zinc/60/21/82/607602182.db2.gz NOUJKUILQDVYOY-CHWSQXEVSA-N -1 3 378.458 0.317 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826301719 607603470 /nfs/dbraw/zinc/60/34/70/607603470.db2.gz NXHDFMUUOMVJDX-JTQLQIEISA-N -1 3 382.471 0.327 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826301719 607603472 /nfs/dbraw/zinc/60/34/72/607603472.db2.gz NXHDFMUUOMVJDX-JTQLQIEISA-N -1 3 382.471 0.327 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)c1-c1nnn[n-]1 ZINC000826301131 607603690 /nfs/dbraw/zinc/60/36/90/607603690.db2.gz RSEYKQLSISGSEI-UHFFFAOYSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC(C3OCCO3)CC2)c1-c1nn[n-]n1 ZINC000826301131 607603691 /nfs/dbraw/zinc/60/36/91/607603691.db2.gz RSEYKQLSISGSEI-UHFFFAOYSA-N -1 3 379.442 0.949 20 0 GCADHM CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825938688 607604572 /nfs/dbraw/zinc/60/45/72/607604572.db2.gz VYUUJRQBFATTHW-UHFFFAOYSA-N -1 3 386.865 0.473 20 0 GCADHM NC(=O)c1cccc(CCNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826393530 607605077 /nfs/dbraw/zinc/60/50/77/607605077.db2.gz WOKDUSCWTKBSMG-UHFFFAOYSA-N -1 3 390.400 0.626 20 0 GCADHM C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824506429 607605138 /nfs/dbraw/zinc/60/51/38/607605138.db2.gz OJWZIVVBAMEMJG-JTQLQIEISA-N -1 3 392.379 1.000 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCC(=O)Nc2cccnc2)c1-c1nnn[n-]1 ZINC000826303358 607605330 /nfs/dbraw/zinc/60/53/30/607605330.db2.gz LNOYQXMYUIDMRX-UHFFFAOYSA-N -1 3 387.425 0.877 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCC(=O)Nc2cccnc2)c1-c1nn[n-]n1 ZINC000826303358 607605331 /nfs/dbraw/zinc/60/53/31/607605331.db2.gz LNOYQXMYUIDMRX-UHFFFAOYSA-N -1 3 387.425 0.877 20 0 GCADHM COc1ccc(COC(=O)CS(=O)(=O)NC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826205814 607607551 /nfs/dbraw/zinc/60/75/51/607607551.db2.gz OJCLSMSHYAKCKS-UHFFFAOYSA-N -1 3 383.430 0.636 20 0 GCADHM COc1ccc(COC(=O)CS(=O)(=O)NC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826205814 607607552 /nfs/dbraw/zinc/60/75/52/607607552.db2.gz OJCLSMSHYAKCKS-UHFFFAOYSA-N -1 3 383.430 0.636 20 0 GCADHM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826157921 607610288 /nfs/dbraw/zinc/61/02/88/607610288.db2.gz RKCBHKNLTYDMSN-MRVPVSSYSA-N -1 3 388.837 0.031 20 0 GCADHM Cc1cccc(S(=O)(=O)NCc2nnnn2-c2ccccc2)c1-c1nnn[n-]1 ZINC000826303250 607610451 /nfs/dbraw/zinc/61/04/51/607610451.db2.gz HCBXLOPAEBCMIC-UHFFFAOYSA-N -1 3 397.424 0.629 20 0 GCADHM Cc1cccc(S(=O)(=O)NCc2nnnn2-c2ccccc2)c1-c1nn[n-]n1 ZINC000826303250 607610453 /nfs/dbraw/zinc/61/04/53/607610453.db2.gz HCBXLOPAEBCMIC-UHFFFAOYSA-N -1 3 397.424 0.629 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)CN1CCN(C)CC1 ZINC000736588998 603154814 /nfs/dbraw/zinc/15/48/14/603154814.db2.gz UTHIYYSFBGRDOC-CYBMUJFWSA-N -1 3 377.445 0.715 20 0 GCADHM COc1ccc(COC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nnn[n-]1 ZINC000826204581 607611149 /nfs/dbraw/zinc/61/11/49/607611149.db2.gz QMOGOVKYHZDJAJ-YMTOWFKASA-N -1 3 375.385 0.194 20 0 GCADHM COc1ccc(COC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nn[n-]n1 ZINC000826204581 607611151 /nfs/dbraw/zinc/61/11/51/607611151.db2.gz QMOGOVKYHZDJAJ-YMTOWFKASA-N -1 3 375.385 0.194 20 0 GCADHM O=S(=O)(NCCN1CCSCC1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826491092 607614099 /nfs/dbraw/zinc/61/40/99/607614099.db2.gz SXLJHPLBARMLAU-UHFFFAOYSA-N -1 3 388.906 0.847 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000826495421 607614206 /nfs/dbraw/zinc/61/42/06/607614206.db2.gz OPOFTVAMRCONDC-LBPRGKRZSA-N -1 3 393.404 0.292 20 0 GCADHM CN(C)C(=O)C1(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)CCCC1 ZINC000825833263 607614662 /nfs/dbraw/zinc/61/46/62/607614662.db2.gz DSDVNSDAZKXBDG-UHFFFAOYSA-N -1 3 378.458 0.794 20 0 GCADHM CN(C)C(=O)C1(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)CCCC1 ZINC000825833263 607614663 /nfs/dbraw/zinc/61/46/63/607614663.db2.gz DSDVNSDAZKXBDG-UHFFFAOYSA-N -1 3 378.458 0.794 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@H]1CN2CCN1CC2 ZINC000826341096 607615839 /nfs/dbraw/zinc/61/58/39/607615839.db2.gz WMWAJDRFQSCECI-ZDUSSCGKSA-N -1 3 382.428 0.288 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccnn1C ZINC000824640981 607617761 /nfs/dbraw/zinc/61/77/61/607617761.db2.gz QKEUITQIUVDOID-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccnn1C ZINC000824640981 607617763 /nfs/dbraw/zinc/61/77/63/607617763.db2.gz QKEUITQIUVDOID-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111213 607617991 /nfs/dbraw/zinc/61/79/91/607617991.db2.gz AJXBPXSLRHJWFH-IAQYHMDHSA-N -1 3 388.428 0.883 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111213 607617993 /nfs/dbraw/zinc/61/79/93/607617993.db2.gz AJXBPXSLRHJWFH-IAQYHMDHSA-N -1 3 388.428 0.883 20 0 GCADHM CCc1ncc(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000825750079 607619983 /nfs/dbraw/zinc/61/99/83/607619983.db2.gz LFXNHWKYINEROS-UHFFFAOYSA-N -1 3 380.416 0.968 20 0 GCADHM CCc1ncc(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000825750079 607619984 /nfs/dbraw/zinc/61/99/84/607619984.db2.gz LFXNHWKYINEROS-UHFFFAOYSA-N -1 3 380.416 0.968 20 0 GCADHM CC[C@H](CO)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000825119287 607620774 /nfs/dbraw/zinc/62/07/74/607620774.db2.gz BTKYKYRNWMKDFQ-SECBINFHSA-N -1 3 376.236 0.678 20 0 GCADHM CC[C@H](CO)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000825119287 607620775 /nfs/dbraw/zinc/62/07/75/607620775.db2.gz BTKYKYRNWMKDFQ-SECBINFHSA-N -1 3 376.236 0.678 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826111683 607623225 /nfs/dbraw/zinc/62/32/25/607623225.db2.gz JVZBHORYADSXAF-XHDPSFHLSA-N -1 3 388.428 0.883 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826111683 607623227 /nfs/dbraw/zinc/62/32/27/607623227.db2.gz JVZBHORYADSXAF-XHDPSFHLSA-N -1 3 388.428 0.883 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@H](Cn3cncn3)C2)cc1-c1nnn[n-]1 ZINC000826197993 607623513 /nfs/dbraw/zinc/62/35/13/607623513.db2.gz IYOGVVCYNCMTOG-ZDUSSCGKSA-N -1 3 399.415 0.077 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@H](Cn3cncn3)C2)cc1-c1nn[n-]n1 ZINC000826197993 607623514 /nfs/dbraw/zinc/62/35/14/607623514.db2.gz IYOGVVCYNCMTOG-ZDUSSCGKSA-N -1 3 399.415 0.077 20 0 GCADHM O=S(=O)(N[C@H](CO)Cc1ccccc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826487492 607623706 /nfs/dbraw/zinc/62/37/06/607623706.db2.gz PWFMBLNQZUGBTB-ZDUSSCGKSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1cccc(F)c1)c1ccccc1-c1nnn[n-]1 ZINC000826489449 607625479 /nfs/dbraw/zinc/62/54/79/607625479.db2.gz PVTHSTSMBCCNJE-GFCCVEGCSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1cccc(F)c1)c1ccccc1-c1nn[n-]n1 ZINC000826489449 607625480 /nfs/dbraw/zinc/62/54/80/607625480.db2.gz PVTHSTSMBCCNJE-GFCCVEGCSA-N -1 3 393.400 0.724 20 0 GCADHM COCCN1CCN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000826159318 607625670 /nfs/dbraw/zinc/62/56/70/607625670.db2.gz AZTSDMGUQHWHLK-ZDUSSCGKSA-N -1 3 389.460 0.737 20 0 GCADHM COCCN1CCN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000826159318 607625672 /nfs/dbraw/zinc/62/56/72/607625672.db2.gz AZTSDMGUQHWHLK-ZDUSSCGKSA-N -1 3 389.460 0.737 20 0 GCADHM COc1ccc([C@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826189476 607626123 /nfs/dbraw/zinc/62/61/23/607626123.db2.gz WOSRGDXZVRHPHA-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc([C@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826189476 607626124 /nfs/dbraw/zinc/62/61/24/607626124.db2.gz WOSRGDXZVRHPHA-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826489353 607627176 /nfs/dbraw/zinc/62/71/76/607627176.db2.gz NGPCSHHPHILKCS-CYBMUJFWSA-N -1 3 375.410 0.585 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826489353 607627178 /nfs/dbraw/zinc/62/71/78/607627178.db2.gz NGPCSHHPHILKCS-CYBMUJFWSA-N -1 3 375.410 0.585 20 0 GCADHM O=S(=O)(N[C@@H]1CCCc2c1cnn2CCO)c1cccc(-c2nnn[n-]2)c1 ZINC000826488301 607628257 /nfs/dbraw/zinc/62/82/57/607628257.db2.gz MODDAVYLJWYFOK-CQSZACIVSA-N -1 3 389.441 0.411 20 0 GCADHM O=S(=O)(N[C@@H]1CCCc2c1cnn2CCO)c1cccc(-c2nn[n-]n2)c1 ZINC000826488301 607628259 /nfs/dbraw/zinc/62/82/59/607628259.db2.gz MODDAVYLJWYFOK-CQSZACIVSA-N -1 3 389.441 0.411 20 0 GCADHM O=S(=O)(NCC1(O)CCC1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826490314 607628577 /nfs/dbraw/zinc/62/85/77/607628577.db2.gz QJJDVKDAPBXMKZ-UHFFFAOYSA-N -1 3 388.247 0.823 20 0 GCADHM O=S(=O)(NCC1(O)CCC1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826490314 607628578 /nfs/dbraw/zinc/62/85/78/607628578.db2.gz QJJDVKDAPBXMKZ-UHFFFAOYSA-N -1 3 388.247 0.823 20 0 GCADHM C[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000824679429 607629025 /nfs/dbraw/zinc/62/90/25/607629025.db2.gz RZJPMIBXBMWPIO-WCQYABFASA-N -1 3 382.428 0.868 20 0 GCADHM C[C@H](O)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000824679429 607629027 /nfs/dbraw/zinc/62/90/27/607629027.db2.gz RZJPMIBXBMWPIO-WCQYABFASA-N -1 3 382.428 0.868 20 0 GCADHM O=S(=O)(c1cc(Br)cc(-c2nnn[n-]2)c1)N1CCC[C@H]1CO ZINC000826493991 607629050 /nfs/dbraw/zinc/62/90/50/607629050.db2.gz LJBPNOOOFPLZOE-JTQLQIEISA-N -1 3 388.247 0.775 20 0 GCADHM O=S(=O)(c1cc(Br)cc(-c2nn[n-]n2)c1)N1CCC[C@H]1CO ZINC000826493991 607629051 /nfs/dbraw/zinc/62/90/51/607629051.db2.gz LJBPNOOOFPLZOE-JTQLQIEISA-N -1 3 388.247 0.775 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826300529 607629726 /nfs/dbraw/zinc/62/97/26/607629726.db2.gz YGTZYYMPUXSVRG-AWEZNQCLSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826300529 607629727 /nfs/dbraw/zinc/62/97/27/607629727.db2.gz YGTZYYMPUXSVRG-AWEZNQCLSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826300194 607629753 /nfs/dbraw/zinc/62/97/53/607629753.db2.gz LOZBDEVDRJZRHB-ZDUSSCGKSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1cccc(OC[C@@H](O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826300194 607629754 /nfs/dbraw/zinc/62/97/54/607629754.db2.gz LOZBDEVDRJZRHB-ZDUSSCGKSA-N -1 3 389.437 0.893 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1-c1nnn[n-]1 ZINC000826196219 607631041 /nfs/dbraw/zinc/63/10/41/607631041.db2.gz UJUGHRAGCGTSAW-UHFFFAOYSA-N -1 3 396.411 0.591 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1-c1nn[n-]n1 ZINC000826196219 607631042 /nfs/dbraw/zinc/63/10/42/607631042.db2.gz UJUGHRAGCGTSAW-UHFFFAOYSA-N -1 3 396.411 0.591 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2c(C)c(C)nn2C)cc1-c1nnn[n-]1 ZINC000826196165 607631248 /nfs/dbraw/zinc/63/12/48/607631248.db2.gz SBGPWXAIZIFNCU-UHFFFAOYSA-N -1 3 384.400 0.481 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2c(C)c(C)nn2C)cc1-c1nn[n-]n1 ZINC000826196165 607631250 /nfs/dbraw/zinc/63/12/50/607631250.db2.gz SBGPWXAIZIFNCU-UHFFFAOYSA-N -1 3 384.400 0.481 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)c1-c1nnn[n-]1 ZINC000826301954 607631372 /nfs/dbraw/zinc/63/13/72/607631372.db2.gz VZILUYGWLCRBRD-UHFFFAOYSA-N -1 3 380.474 0.252 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)c1-c1nn[n-]n1 ZINC000826301954 607631374 /nfs/dbraw/zinc/63/13/74/607631374.db2.gz VZILUYGWLCRBRD-UHFFFAOYSA-N -1 3 380.474 0.252 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cn1 ZINC000826209664 607631385 /nfs/dbraw/zinc/63/13/85/607631385.db2.gz LGVDCSMKDGYRCI-UHFFFAOYSA-N -1 3 383.368 0.534 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cn1 ZINC000826209664 607631387 /nfs/dbraw/zinc/63/13/87/607631387.db2.gz LGVDCSMKDGYRCI-UHFFFAOYSA-N -1 3 383.368 0.534 20 0 GCADHM O=S(=O)(NC[C@@H](O)COCC1CC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826489643 607631453 /nfs/dbraw/zinc/63/14/53/607631453.db2.gz WIYZEGDBPKSRPM-LLVKDONJSA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NC[C@@H](O)COCC1CC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826489643 607631454 /nfs/dbraw/zinc/63/14/54/607631454.db2.gz WIYZEGDBPKSRPM-LLVKDONJSA-N -1 3 387.849 0.586 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H](O)Cc1ccccc1 ZINC000824471431 607631664 /nfs/dbraw/zinc/63/16/64/607631664.db2.gz QLEUTQQUESZXBW-WBMJQRKESA-N -1 3 380.408 0.914 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](O)Cc1ccccc1 ZINC000824471431 607631665 /nfs/dbraw/zinc/63/16/65/607631665.db2.gz QLEUTQQUESZXBW-WBMJQRKESA-N -1 3 380.408 0.914 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCOc2ncccc2F)cccc1-c1nnn[n-]1 ZINC000826240937 607632172 /nfs/dbraw/zinc/63/21/72/607632172.db2.gz MJQLWIVILSKZLT-UHFFFAOYSA-N -1 3 385.359 0.843 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCOc2ncccc2F)cccc1-c1nn[n-]n1 ZINC000826240937 607632174 /nfs/dbraw/zinc/63/21/74/607632174.db2.gz MJQLWIVILSKZLT-UHFFFAOYSA-N -1 3 385.359 0.843 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC000826143615 607632224 /nfs/dbraw/zinc/63/22/24/607632224.db2.gz ILOSLNRICPZWIZ-UHFFFAOYSA-N -1 3 378.364 0.256 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC000826143615 607632225 /nfs/dbraw/zinc/63/22/25/607632225.db2.gz ILOSLNRICPZWIZ-UHFFFAOYSA-N -1 3 378.364 0.256 20 0 GCADHM O=C(NCC1(CO)COC1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826433807 607632852 /nfs/dbraw/zinc/63/28/52/607632852.db2.gz RPCXHQOLMOZXPX-UHFFFAOYSA-N -1 3 385.380 0.777 20 0 GCADHM O=C(NCC1(CO)COC1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826433807 607632853 /nfs/dbraw/zinc/63/28/53/607632853.db2.gz RPCXHQOLMOZXPX-UHFFFAOYSA-N -1 3 385.380 0.777 20 0 GCADHM Cc1nc(SCC(=O)NCC2(CO)COC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327702 607632933 /nfs/dbraw/zinc/63/29/33/607632933.db2.gz QXBDLQZQBOBDEJ-UHFFFAOYSA-N -1 3 378.458 0.404 20 0 GCADHM Cc1nc(SCC(=O)NCC2(CO)COC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327702 607632935 /nfs/dbraw/zinc/63/29/35/607632935.db2.gz QXBDLQZQBOBDEJ-UHFFFAOYSA-N -1 3 378.458 0.404 20 0 GCADHM O=C(NCCOc1ncccc1F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826439356 607633100 /nfs/dbraw/zinc/63/31/00/607633100.db2.gz QVTYXUSXVWUDEZ-UHFFFAOYSA-N -1 3 389.322 0.674 20 0 GCADHM O=C(NCCOc1ncccc1F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826439356 607633102 /nfs/dbraw/zinc/63/31/02/607633102.db2.gz QVTYXUSXVWUDEZ-UHFFFAOYSA-N -1 3 389.322 0.674 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000826493917 607634780 /nfs/dbraw/zinc/63/47/80/607634780.db2.gz IUNVCIOUSHWXTJ-GHMZBOCLSA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000826493917 607634782 /nfs/dbraw/zinc/63/47/82/607634782.db2.gz IUNVCIOUSHWXTJ-GHMZBOCLSA-N -1 3 377.348 0.943 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCO[C@@H](CNc2cccnn2)C1 ZINC000826183463 607635487 /nfs/dbraw/zinc/63/54/87/607635487.db2.gz PUTMDSQCDJEKBN-HNNXBMFYSA-N -1 3 382.428 0.978 20 0 GCADHM CSC[C@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826227729 607640342 /nfs/dbraw/zinc/64/03/42/607640342.db2.gz WQPZHSXGZZHNBL-GFCCVEGCSA-N -1 3 377.879 0.912 20 0 GCADHM CSC[C@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826227729 607640344 /nfs/dbraw/zinc/64/03/44/607640344.db2.gz WQPZHSXGZZHNBL-GFCCVEGCSA-N -1 3 377.879 0.912 20 0 GCADHM O=S(=O)(NC[C@H](O)C1CCOCC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826489310 607640499 /nfs/dbraw/zinc/64/04/99/607640499.db2.gz MFVVMGJBSVWVGA-LBPRGKRZSA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NC[C@H](O)C1CCOCC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826489310 607640501 /nfs/dbraw/zinc/64/05/01/607640501.db2.gz MFVVMGJBSVWVGA-LBPRGKRZSA-N -1 3 387.849 0.586 20 0 GCADHM CC(C)[C@@H](O)CNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824206867 607640780 /nfs/dbraw/zinc/64/07/80/607640780.db2.gz KRYGSXNSGYMCNP-NSHDSACASA-N -1 3 390.263 0.924 20 0 GCADHM CC(C)[C@@H](O)CNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824206867 607640782 /nfs/dbraw/zinc/64/07/82/607640782.db2.gz KRYGSXNSGYMCNP-NSHDSACASA-N -1 3 390.263 0.924 20 0 GCADHM C[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824436781 607641292 /nfs/dbraw/zinc/64/12/92/607641292.db2.gz UXTZLJBGUXEONR-YUMQZZPRSA-N -1 3 390.263 0.924 20 0 GCADHM C[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824436781 607641294 /nfs/dbraw/zinc/64/12/94/607641294.db2.gz UXTZLJBGUXEONR-YUMQZZPRSA-N -1 3 390.263 0.924 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1)[C@H](C)CO ZINC000824436778 607641371 /nfs/dbraw/zinc/64/13/71/607641371.db2.gz UXTZLJBGUXEONR-HTQZYQBOSA-N -1 3 390.263 0.924 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1)[C@H](C)CO ZINC000824436778 607641372 /nfs/dbraw/zinc/64/13/72/607641372.db2.gz UXTZLJBGUXEONR-HTQZYQBOSA-N -1 3 390.263 0.924 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCOC[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000826303574 607641526 /nfs/dbraw/zinc/64/15/26/607641526.db2.gz VSGPQILKVTXMJC-CYBMUJFWSA-N -1 3 381.458 0.897 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCOC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000826303574 607641528 /nfs/dbraw/zinc/64/15/28/607641528.db2.gz VSGPQILKVTXMJC-CYBMUJFWSA-N -1 3 381.458 0.897 20 0 GCADHM CSC[C@@H](CCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826228438 607642824 /nfs/dbraw/zinc/64/28/24/607642824.db2.gz OSMKDWNPXKVDJH-MRVPVSSYSA-N -1 3 377.879 0.912 20 0 GCADHM CSC[C@@H](CCO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826228438 607642827 /nfs/dbraw/zinc/64/28/27/607642827.db2.gz OSMKDWNPXKVDJH-MRVPVSSYSA-N -1 3 377.879 0.912 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000826183781 607643320 /nfs/dbraw/zinc/64/33/20/607643320.db2.gz ZRMDJIHNRQUJQF-UHFFFAOYSA-N -1 3 394.439 0.691 20 0 GCADHM CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC000825581921 607644153 /nfs/dbraw/zinc/64/41/53/607644153.db2.gz GDXZGQIWGXSBOU-CABCVRRESA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC000825581921 607644155 /nfs/dbraw/zinc/64/41/55/607644155.db2.gz GDXZGQIWGXSBOU-CABCVRRESA-N -1 3 393.469 0.807 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000826256185 607648859 /nfs/dbraw/zinc/64/88/59/607648859.db2.gz XUBRKJBECNJXMP-STQMWFEESA-N -1 3 380.474 0.251 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000826256185 607648861 /nfs/dbraw/zinc/64/88/61/607648861.db2.gz XUBRKJBECNJXMP-STQMWFEESA-N -1 3 380.474 0.251 20 0 GCADHM CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000825405744 607652782 /nfs/dbraw/zinc/65/27/82/607652782.db2.gz DSCFRTOSUXMQTQ-UHFFFAOYSA-N -1 3 385.472 0.801 20 0 GCADHM CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825405744 607652783 /nfs/dbraw/zinc/65/27/83/607652783.db2.gz DSCFRTOSUXMQTQ-UHFFFAOYSA-N -1 3 385.472 0.801 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826486908 607652999 /nfs/dbraw/zinc/65/29/99/607652999.db2.gz WNLXERSOUVEACU-LBPRGKRZSA-N -1 3 377.348 0.696 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826486908 607653001 /nfs/dbraw/zinc/65/30/01/607653001.db2.gz WNLXERSOUVEACU-LBPRGKRZSA-N -1 3 377.348 0.696 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826302054 607649621 /nfs/dbraw/zinc/64/96/21/607649621.db2.gz YYMKSNDWRUHPEZ-OLZOCXBDSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826302054 607649623 /nfs/dbraw/zinc/64/96/23/607649623.db2.gz YYMKSNDWRUHPEZ-OLZOCXBDSA-N -1 3 380.474 0.251 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CC[C@H](CN2CCOCC2)C1 ZINC000826496083 607649631 /nfs/dbraw/zinc/64/96/31/607649631.db2.gz KMLCOFAVUYRPPE-CYBMUJFWSA-N -1 3 378.458 0.210 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CC[C@H](CN2CCOCC2)C1 ZINC000826496083 607649632 /nfs/dbraw/zinc/64/96/32/607649632.db2.gz KMLCOFAVUYRPPE-CYBMUJFWSA-N -1 3 378.458 0.210 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1C[C@@H](C)O ZINC000825213193 607650622 /nfs/dbraw/zinc/65/06/22/607650622.db2.gz WPEVVZDFHVLOSU-OCCSQVGLSA-N -1 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CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825499344 607652595 /nfs/dbraw/zinc/65/25/95/607652595.db2.gz KSOCXJNFBNJARI-UHFFFAOYSA-N -1 3 399.404 0.085 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000825119189 607654346 /nfs/dbraw/zinc/65/43/46/607654346.db2.gz AMJQZVFTSZSZOH-AWEZNQCLSA-N -1 3 380.474 0.252 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825119189 607654348 /nfs/dbraw/zinc/65/43/48/607654348.db2.gz AMJQZVFTSZSZOH-AWEZNQCLSA-N -1 3 380.474 0.252 20 0 GCADHM CCc1nncn1CCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825771643 607654791 /nfs/dbraw/zinc/65/47/91/607654791.db2.gz NNTARLNPCTTWJM-UHFFFAOYSA-N -1 3 382.837 0.653 20 0 GCADHM CCc1nncn1CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825771643 607654792 /nfs/dbraw/zinc/65/47/92/607654792.db2.gz NNTARLNPCTTWJM-UHFFFAOYSA-N -1 3 382.837 0.653 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1-c1nnn[n-]1 ZINC000826302851 607655321 /nfs/dbraw/zinc/65/53/21/607655321.db2.gz UPHQTPIXXRZAGH-IJLUTSLNSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000826302851 607655322 /nfs/dbraw/zinc/65/53/22/607655322.db2.gz UPHQTPIXXRZAGH-IJLUTSLNSA-N -1 3 376.442 0.463 20 0 GCADHM C[C@@H](CCO)CNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824406614 607655687 /nfs/dbraw/zinc/65/56/87/607655687.db2.gz OCZGIHPXSCVMDB-QMMMGPOBSA-N -1 3 390.263 0.926 20 0 GCADHM C[C@@H](CCO)CNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824406614 607655688 /nfs/dbraw/zinc/65/56/88/607655688.db2.gz OCZGIHPXSCVMDB-QMMMGPOBSA-N -1 3 390.263 0.926 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000826248426 607656606 /nfs/dbraw/zinc/65/66/06/607656606.db2.gz IUHPVBDFPJTXPN-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000826248426 607656607 /nfs/dbraw/zinc/65/66/07/607656607.db2.gz IUHPVBDFPJTXPN-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM CC(C)(C)N1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1=O ZINC000824093056 607658524 /nfs/dbraw/zinc/65/85/24/607658524.db2.gz DDWXIOVIVPWAHI-JTQLQIEISA-N -1 3 382.421 0.684 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000826245165 607662146 /nfs/dbraw/zinc/66/21/46/607662146.db2.gz POLGEQZZMLRNQB-CYBMUJFWSA-N -1 3 378.458 0.719 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000826245165 607662148 /nfs/dbraw/zinc/66/21/48/607662148.db2.gz POLGEQZZMLRNQB-CYBMUJFWSA-N -1 3 378.458 0.719 20 0 GCADHM CC(C)[C@@H](CO)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824338240 607663687 /nfs/dbraw/zinc/66/36/87/607663687.db2.gz UROZLQVIQMMAOU-LLVKDONJSA-N -1 3 390.263 0.924 20 0 GCADHM CC(C)[C@@H](CO)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824338240 607663689 /nfs/dbraw/zinc/66/36/89/607663689.db2.gz UROZLQVIQMMAOU-LLVKDONJSA-N -1 3 390.263 0.924 20 0 GCADHM CCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000825663545 607664054 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O=S(=O)(NCCc1nnc2ccccn21)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826491561 607666165 /nfs/dbraw/zinc/66/61/65/607666165.db2.gz PHVOLXGFXQLBJB-UHFFFAOYSA-N -1 3 388.388 0.570 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824967447 607668725 /nfs/dbraw/zinc/66/87/25/607668725.db2.gz KAAMGRHXTWQYOQ-SMDDNHRTSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824967447 607668727 /nfs/dbraw/zinc/66/87/27/607668727.db2.gz KAAMGRHXTWQYOQ-SMDDNHRTSA-N -1 3 390.469 0.792 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C(C)(C)C1=O ZINC000826038358 607669412 /nfs/dbraw/zinc/66/94/12/607669412.db2.gz LDTIGSOHFIPCFI-UHFFFAOYSA-N -1 3 384.849 0.761 20 0 GCADHM COCCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000826156284 607669787 /nfs/dbraw/zinc/66/97/87/607669787.db2.gz WVFGPINKPSMRAG-CQSZACIVSA-N -1 3 393.469 0.841 20 0 GCADHM COCCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000826156284 607669788 /nfs/dbraw/zinc/66/97/88/607669788.db2.gz WVFGPINKPSMRAG-CQSZACIVSA-N -1 3 393.469 0.841 20 0 GCADHM O=S(=O)(NCCCO[C@H]1CCOC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826490878 607669905 /nfs/dbraw/zinc/66/99/05/607669905.db2.gz KUFKKJDRGBHXLL-NSHDSACASA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(NCCCO[C@H]1CCOC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826490878 607669908 /nfs/dbraw/zinc/66/99/08/607669908.db2.gz KUFKKJDRGBHXLL-NSHDSACASA-N -1 3 387.849 0.994 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000826301063 607670810 /nfs/dbraw/zinc/67/08/10/607670810.db2.gz PYODQSAODYDDMW-RYUDHWBXSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c1-c1nn[n-]n1 ZINC000826301063 607670812 /nfs/dbraw/zinc/67/08/12/607670812.db2.gz PYODQSAODYDDMW-RYUDHWBXSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000826268107 607671150 /nfs/dbraw/zinc/67/11/50/607671150.db2.gz KEQJWXRTFRCHDQ-GOSISDBHSA-N -1 3 396.386 0.993 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000826268107 607671151 /nfs/dbraw/zinc/67/11/51/607671151.db2.gz KEQJWXRTFRCHDQ-GOSISDBHSA-N -1 3 396.386 0.993 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000825471525 607671967 /nfs/dbraw/zinc/67/19/67/607671967.db2.gz VVWXNQSVIMHXCR-SNVBAGLBSA-N -1 3 383.409 0.088 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC000825471503 607672160 /nfs/dbraw/zinc/67/21/60/607672160.db2.gz VEPSCNOAUGIXLR-LLVKDONJSA-N -1 3 379.446 0.257 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC000825471503 607672162 /nfs/dbraw/zinc/67/21/62/607672162.db2.gz VEPSCNOAUGIXLR-LLVKDONJSA-N -1 3 379.446 0.257 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1-c1nnn[n-]1 ZINC000826488613 607674093 /nfs/dbraw/zinc/67/40/93/607674093.db2.gz UUJCFCGHKNNAJL-GJZGRUSLSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccccc1-c1nn[n-]n1 ZINC000826488613 607674095 /nfs/dbraw/zinc/67/40/95/607674095.db2.gz UUJCFCGHKNNAJL-GJZGRUSLSA-N -1 3 392.485 0.788 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)[S@@](C)=O ZINC000824402793 607674540 /nfs/dbraw/zinc/67/45/40/607674540.db2.gz YQVKTEOBCGRPKM-QSIZCVBASA-N -1 3 377.879 0.956 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)[S@@](C)=O ZINC000824402793 607674541 /nfs/dbraw/zinc/67/45/41/607674541.db2.gz YQVKTEOBCGRPKM-QSIZCVBASA-N -1 3 377.879 0.956 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000826116618 607678256 /nfs/dbraw/zinc/67/82/56/607678256.db2.gz BYSVOAPZTFUPHH-AWEZNQCLSA-N -1 3 395.441 0.110 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000826116618 607678258 /nfs/dbraw/zinc/67/82/58/607678258.db2.gz BYSVOAPZTFUPHH-AWEZNQCLSA-N -1 3 395.441 0.110 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000825209829 607676612 /nfs/dbraw/zinc/67/66/12/607676612.db2.gz 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C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824762829 607687107 /nfs/dbraw/zinc/68/71/07/607687107.db2.gz IVRKKUPJOPNLNR-VIFPVBQESA-N -1 3 375.414 0.675 20 0 GCADHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824762829 607687109 /nfs/dbraw/zinc/68/71/09/607687109.db2.gz IVRKKUPJOPNLNR-VIFPVBQESA-N -1 3 375.414 0.675 20 0 GCADHM COCCn1cc(S(=O)(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826163882 607687650 /nfs/dbraw/zinc/68/76/50/607687650.db2.gz PTUOEHZKKOBTOW-UHFFFAOYSA-N -1 3 393.429 0.067 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825875352 607688607 /nfs/dbraw/zinc/68/86/07/607688607.db2.gz MHAPQCBWPWQKGU-UHFFFAOYSA-N -1 3 387.425 0.648 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825875352 607688609 /nfs/dbraw/zinc/68/86/09/607688609.db2.gz MHAPQCBWPWQKGU-UHFFFAOYSA-N -1 3 387.425 0.648 20 0 GCADHM CCN1CCCN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)CC1 ZINC000829770367 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607739902 /nfs/dbraw/zinc/73/99/02/607739902.db2.gz BXSWCPSGFNGALJ-HNNXBMFYSA-N -1 3 381.396 0.734 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000826472103 607740746 /nfs/dbraw/zinc/74/07/46/607740746.db2.gz XTVMPHGFCHJNHA-UHFFFAOYSA-N -1 3 383.416 0.803 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000826472103 607740747 /nfs/dbraw/zinc/74/07/47/607740747.db2.gz XTVMPHGFCHJNHA-UHFFFAOYSA-N -1 3 383.416 0.803 20 0 GCADHM O=S(=O)(NCc1cc(-c2nn[n-]n2)ccc1F)c1cnn([C@H]2CCOC2)c1 ZINC000826492141 607742386 /nfs/dbraw/zinc/74/23/86/607742386.db2.gz VIPYLFRFLOAXHS-LBPRGKRZSA-N -1 3 393.404 0.642 20 0 GCADHM C[C@@H](Oc1ccc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1)C(=O)[O-] ZINC000833537782 605235747 /nfs/dbraw/zinc/23/57/47/605235747.db2.gz ANMYZHVPNHQVCQ-NVXWUHKLSA-N -1 3 391.468 0.561 20 0 GCADHM C[C@H](Oc1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1)C(=O)[O-] ZINC000833537783 605235811 /nfs/dbraw/zinc/23/58/11/605235811.db2.gz 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CC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)[C@H](C)C1 ZINC000823974496 607746368 /nfs/dbraw/zinc/74/63/68/607746368.db2.gz POCXFFKKMCDFJC-BXUZGUMPSA-N -1 3 378.458 0.710 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)[C@H](C)C1 ZINC000823974496 607746369 /nfs/dbraw/zinc/74/63/69/607746369.db2.gz POCXFFKKMCDFJC-BXUZGUMPSA-N -1 3 378.458 0.710 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825209609 607754281 /nfs/dbraw/zinc/75/42/81/607754281.db2.gz BAEGUVAVSYUPLH-NWDGAFQWSA-N -1 3 395.489 0.763 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825209609 607754282 /nfs/dbraw/zinc/75/42/82/607754282.db2.gz BAEGUVAVSYUPLH-NWDGAFQWSA-N -1 3 395.489 0.763 20 0 GCADHM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1nc(-c2nc[nH]n2)no1 ZINC000824072174 607756555 /nfs/dbraw/zinc/75/65/55/607756555.db2.gz SGVSFUNEPRUZIL-VIFPVBQESA-N -1 3 383.376 0.880 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H]2CCN(C(C)=O)C[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826198650 607758759 /nfs/dbraw/zinc/75/87/59/607758759.db2.gz FEBBXULFYQBTBE-XHDPSFHLSA-N -1 3 387.444 0.931 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H]2CCN(C(C)=O)C[C@@H]2C)cc1-c1nn[n-]n1 ZINC000826198650 607758760 /nfs/dbraw/zinc/75/87/60/607758760.db2.gz FEBBXULFYQBTBE-XHDPSFHLSA-N -1 3 387.444 0.931 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000825532608 607759375 /nfs/dbraw/zinc/75/93/75/607759375.db2.gz VEXYUNRBLUDNGE-UHFFFAOYSA-N -1 3 397.417 0.265 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000825532608 607759376 /nfs/dbraw/zinc/75/93/76/607759376.db2.gz VEXYUNRBLUDNGE-UHFFFAOYSA-N -1 3 397.417 0.265 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)c2nccnc2C(N)=O)cc1-c1nnn[n-]1 ZINC000825545481 607760605 /nfs/dbraw/zinc/76/06/05/607760605.db2.gz SILDWXGFYQQLAR-UHFFFAOYSA-N -1 3 397.355 0.576 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)c2nccnc2C(N)=O)cc1-c1nn[n-]n1 ZINC000825545481 607760606 /nfs/dbraw/zinc/76/06/06/607760606.db2.gz SILDWXGFYQQLAR-UHFFFAOYSA-N -1 3 397.355 0.576 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826174975 607763639 /nfs/dbraw/zinc/76/36/39/607763639.db2.gz OSLBDCLLBPNZCG-ZDUSSCGKSA-N -1 3 398.427 0.784 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826174975 607763640 /nfs/dbraw/zinc/76/36/40/607763640.db2.gz OSLBDCLLBPNZCG-ZDUSSCGKSA-N -1 3 398.427 0.784 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N(CCO)CCOC)cc1-c1nnn[n-]1 ZINC000825539911 607766358 /nfs/dbraw/zinc/76/63/58/607766358.db2.gz RMEBFOVUVFFXLP-UHFFFAOYSA-N -1 3 393.404 0.908 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N(CCO)CCOC)cc1-c1nn[n-]n1 ZINC000825539911 607766359 /nfs/dbraw/zinc/76/63/59/607766359.db2.gz RMEBFOVUVFFXLP-UHFFFAOYSA-N -1 3 393.404 0.908 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@](C)(CO)COC)cc1-c1nnn[n-]1 ZINC000825539073 607767401 /nfs/dbraw/zinc/76/74/01/607767401.db2.gz LUULEKXEQLLXQH-MRXNPFEDSA-N -1 3 393.404 0.954 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@](C)(CO)COC)cc1-c1nn[n-]n1 ZINC000825539073 607767402 /nfs/dbraw/zinc/76/74/02/607767402.db2.gz LUULEKXEQLLXQH-MRXNPFEDSA-N -1 3 393.404 0.954 20 0 GCADHM CC(C)[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1nc(-c2nc[nH]n2)no1 ZINC000824193201 607767467 /nfs/dbraw/zinc/76/74/67/607767467.db2.gz UWUSKBHMPYOLJQ-JTQLQIEISA-N -1 3 383.376 0.500 20 0 GCADHM CC(C)[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1nc(-c2nc[nH]n2)no1 ZINC000824193201 607767468 /nfs/dbraw/zinc/76/74/68/607767468.db2.gz UWUSKBHMPYOLJQ-JTQLQIEISA-N -1 3 383.376 0.500 20 0 GCADHM CC(C)[C@@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1nc(-c2nc[nH]n2)no1 ZINC000824193202 607767660 /nfs/dbraw/zinc/76/76/60/607767660.db2.gz UWUSKBHMPYOLJQ-SNVBAGLBSA-N -1 3 383.376 0.500 20 0 GCADHM CC(C)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1nc(-c2nc[nH]n2)no1 ZINC000824193202 607767661 /nfs/dbraw/zinc/76/76/61/607767661.db2.gz UWUSKBHMPYOLJQ-SNVBAGLBSA-N -1 3 383.376 0.500 20 0 GCADHM COC(=O)[C@@H]1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 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393.411 0.611 20 0 GCADHM NC(=O)c1cncc(N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000822890377 606064129 /nfs/dbraw/zinc/06/41/29/606064129.db2.gz SYLPUIBQJVNYLM-UHFFFAOYSA-N -1 3 393.411 0.611 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(CC[S@](C)=O)CC1 ZINC000821702259 606083371 /nfs/dbraw/zinc/08/33/71/606083371.db2.gz NKUDDYMBJJRZLQ-MHZLTWQESA-N -1 3 394.501 0.250 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC(NC(N)=O)CC1 ZINC000819866575 606087470 /nfs/dbraw/zinc/08/74/70/606087470.db2.gz OBIPCDRISHRLDY-SECBINFHSA-N -1 3 392.851 0.980 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC(NC(N)=O)CC1 ZINC000819866575 606087474 /nfs/dbraw/zinc/08/74/74/606087474.db2.gz OBIPCDRISHRLDY-SECBINFHSA-N -1 3 392.851 0.980 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN(CCCCO)CC2)c(-c2nnn[n-]2)c1C ZINC000822542215 606090598 /nfs/dbraw/zinc/09/05/98/606090598.db2.gz VLSIBZMIPIPXHE-ZDUSSCGKSA-N -1 3 391.476 0.794 20 0 GCADHM CC(C)(C(N)=O)N1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000819891623 606090761 /nfs/dbraw/zinc/09/07/61/606090761.db2.gz DUVHUBSFYMHSLX-UHFFFAOYSA-N -1 3 397.443 0.298 20 0 GCADHM CC(C)(C(N)=O)N1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000819891623 606090764 /nfs/dbraw/zinc/09/07/64/606090764.db2.gz DUVHUBSFYMHSLX-UHFFFAOYSA-N -1 3 397.443 0.298 20 0 GCADHM COC(=O)[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000821655912 606109983 /nfs/dbraw/zinc/10/99/83/606109983.db2.gz UEJBILIQCZLWRH-JTQLQIEISA-N -1 3 380.430 0.357 20 0 GCADHM COC(=O)[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000821655912 606109985 /nfs/dbraw/zinc/10/99/85/606109985.db2.gz UEJBILIQCZLWRH-JTQLQIEISA-N -1 3 380.430 0.357 20 0 GCADHM CC[C@@H](O)CN1CCN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000820931851 606110414 /nfs/dbraw/zinc/11/04/14/606110414.db2.gz JEUBLYMTMFVJAO-CYBMUJFWSA-N -1 3 393.517 0.872 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](CC(N)=O)C2)c(-c2nnn[n-]2)c1C ZINC000822541679 606114391 /nfs/dbraw/zinc/11/43/91/606114391.db2.gz PLZQODPDHDREPE-ZYHUDNBSSA-N -1 3 375.433 0.991 20 0 GCADHM Cc1sc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000822558284 606114636 /nfs/dbraw/zinc/11/46/36/606114636.db2.gz NVQKBAMOKGIMQP-CYBMUJFWSA-N -1 3 391.501 0.890 20 0 GCADHM Cc1sc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822558284 606114638 /nfs/dbraw/zinc/11/46/38/606114638.db2.gz NVQKBAMOKGIMQP-CYBMUJFWSA-N -1 3 391.501 0.890 20 0 GCADHM Cc1sc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000822558288 606114713 /nfs/dbraw/zinc/11/47/13/606114713.db2.gz NVQKBAMOKGIMQP-ZDUSSCGKSA-N -1 3 391.501 0.890 20 0 GCADHM Cc1sc(NC(=O)CN2CC[C@H](N3CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822558288 606114714 /nfs/dbraw/zinc/11/47/14/606114714.db2.gz NVQKBAMOKGIMQP-ZDUSSCGKSA-N -1 3 391.501 0.890 20 0 GCADHM O=S(=O)(CCN1CC[C@](O)(C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562178 606114954 /nfs/dbraw/zinc/11/49/54/606114954.db2.gz OPKNWPYKBPUMLC-CYBMUJFWSA-N -1 3 391.375 0.640 20 0 GCADHM O=S(=O)(CCN1CC[C@](O)(C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562178 606114956 /nfs/dbraw/zinc/11/49/56/606114956.db2.gz OPKNWPYKBPUMLC-CYBMUJFWSA-N -1 3 391.375 0.640 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321547 606116802 /nfs/dbraw/zinc/11/68/02/606116802.db2.gz IDKINAHFFCXQBK-QLJPJBMISA-N -1 3 399.436 0.774 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321547 606116804 /nfs/dbraw/zinc/11/68/04/606116804.db2.gz IDKINAHFFCXQBK-QLJPJBMISA-N -1 3 399.436 0.774 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCO[C@H](CO)C1 ZINC000819877239 606117015 /nfs/dbraw/zinc/11/70/15/606117015.db2.gz RRZGIVBTFFLCKS-UWVGGRQHSA-N -1 3 378.458 0.437 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCO[C@H](CO)C1 ZINC000819877239 606117017 /nfs/dbraw/zinc/11/70/17/606117017.db2.gz RRZGIVBTFFLCKS-UWVGGRQHSA-N -1 3 378.458 0.437 20 0 GCADHM O=C(CCN1CCO[C@@H](CO)C1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 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ZJVRBPUVFHGFOC-LJQANCHMSA-N -1 3 398.471 0.605 20 0 GCADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(=O)N1CC[C@@H](O)C1 ZINC000823350187 606121396 /nfs/dbraw/zinc/12/13/96/606121396.db2.gz CMKZBDFCICSOID-CYBMUJFWSA-N -1 3 395.379 0.586 20 0 GCADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(=O)N1CC[C@@H](O)C1 ZINC000823350187 606121397 /nfs/dbraw/zinc/12/13/97/606121397.db2.gz CMKZBDFCICSOID-CYBMUJFWSA-N -1 3 395.379 0.586 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000819789580 606121466 /nfs/dbraw/zinc/12/14/66/606121466.db2.gz UZQRRABOTNCTFZ-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000819789580 606121468 /nfs/dbraw/zinc/12/14/68/606121468.db2.gz UZQRRABOTNCTFZ-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820291970 606121931 /nfs/dbraw/zinc/12/19/31/606121931.db2.gz BEPKRYMXFBBZRC-LLVKDONJSA-N -1 3 396.448 0.335 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820291970 606121932 /nfs/dbraw/zinc/12/19/32/606121932.db2.gz BEPKRYMXFBBZRC-LLVKDONJSA-N -1 3 396.448 0.335 20 0 GCADHM CN(C)CCN(C(=O)c1sccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000821584681 606127788 /nfs/dbraw/zinc/12/77/88/606127788.db2.gz OBPYTWCPBWIJGH-SNVBAGLBSA-N -1 3 384.487 0.119 20 0 GCADHM CN(C)CCN(C(=O)c1sccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000821584681 606127789 /nfs/dbraw/zinc/12/77/89/606127789.db2.gz OBPYTWCPBWIJGH-SNVBAGLBSA-N -1 3 384.487 0.119 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348811 606128712 /nfs/dbraw/zinc/12/87/12/606128712.db2.gz FTVNYJYGXGGFBJ-LBPRGKRZSA-N -1 3 395.427 0.720 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348811 606128714 /nfs/dbraw/zinc/12/87/14/606128714.db2.gz FTVNYJYGXGGFBJ-LBPRGKRZSA-N -1 3 395.427 0.720 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)O[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823054602 606130369 /nfs/dbraw/zinc/13/03/69/606130369.db2.gz BJPRFOBWDBXHHS-OAHLLOKOSA-N -1 3 387.396 0.569 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)O[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823054602 606130370 /nfs/dbraw/zinc/13/03/70/606130370.db2.gz BJPRFOBWDBXHHS-OAHLLOKOSA-N -1 3 387.396 0.569 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCN(C2CCOCC2)C1=O ZINC000823036933 606130538 /nfs/dbraw/zinc/13/05/38/606130538.db2.gz NDIIWOPHJUWHSZ-HNNXBMFYSA-N -1 3 387.396 0.569 20 0 GCADHM CC(C)c1nnnn1CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820502416 606130933 /nfs/dbraw/zinc/13/09/33/606130933.db2.gz RAXCDGQJVFACRP-SNVBAGLBSA-N -1 3 385.388 0.547 20 0 GCADHM CC(C)c1nnnn1CC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820502416 606130934 /nfs/dbraw/zinc/13/09/34/606130934.db2.gz RAXCDGQJVFACRP-SNVBAGLBSA-N -1 3 385.388 0.547 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H](C)CS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821646887 606130959 /nfs/dbraw/zinc/13/09/59/606130959.db2.gz QAJLZUDZMDPRMF-JOYOIKCWSA-N -1 3 382.398 0.305 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H](C)CS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821646887 606130960 /nfs/dbraw/zinc/13/09/60/606130960.db2.gz QAJLZUDZMDPRMF-JOYOIKCWSA-N -1 3 382.398 0.305 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000819789421 606132472 /nfs/dbraw/zinc/13/24/72/606132472.db2.gz OATIMMRPEUDNEW-VOJFVSQTSA-N -1 3 386.412 0.995 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000819789421 606132474 /nfs/dbraw/zinc/13/24/74/606132474.db2.gz OATIMMRPEUDNEW-VOJFVSQTSA-N -1 3 386.412 0.995 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000823109060 606144973 /nfs/dbraw/zinc/14/49/73/606144973.db2.gz WVLXVASBTZLREG-UHFFFAOYSA-N -1 3 387.396 0.318 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000823109060 606144974 /nfs/dbraw/zinc/14/49/74/606144974.db2.gz WVLXVASBTZLREG-UHFFFAOYSA-N -1 3 387.396 0.318 20 0 GCADHM Cc1cc(N2CC[C@@H](OC(=O)Cc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822207130 606145251 /nfs/dbraw/zinc/14/52/51/606145251.db2.gz LTNWQVLULGKRIR-CQSZACIVSA-N -1 3 381.396 0.800 20 0 GCADHM Cc1cc(N2CC[C@@H](OC(=O)Cc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822207130 606145252 /nfs/dbraw/zinc/14/52/52/606145252.db2.gz LTNWQVLULGKRIR-CQSZACIVSA-N -1 3 381.396 0.800 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(C2CCOCC2)CC1 ZINC000822146722 606146189 /nfs/dbraw/zinc/14/61/89/606146189.db2.gz ZHPDQOXLZZBAGV-UHFFFAOYSA-N -1 3 392.485 0.660 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(C2CCOCC2)CC1 ZINC000822146722 606146191 /nfs/dbraw/zinc/14/61/91/606146191.db2.gz ZHPDQOXLZZBAGV-UHFFFAOYSA-N -1 3 392.485 0.660 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820146604 606153239 /nfs/dbraw/zinc/15/32/39/606153239.db2.gz OYVIYBKMSMJBBE-INIZCTEOSA-N -1 3 377.445 0.670 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820146604 606153240 /nfs/dbraw/zinc/15/32/40/606153240.db2.gz OYVIYBKMSMJBBE-INIZCTEOSA-N -1 3 377.445 0.670 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821636319 606153361 /nfs/dbraw/zinc/15/33/61/606153361.db2.gz NRBVQTZXPNXTRA-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821636319 606153362 /nfs/dbraw/zinc/15/33/62/606153362.db2.gz NRBVQTZXPNXTRA-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823257775 606157811 /nfs/dbraw/zinc/15/78/11/606157811.db2.gz TUOOOKWEIOGUAT-OAHLLOKOSA-N -1 3 385.428 0.446 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823257775 606157814 /nfs/dbraw/zinc/15/78/14/606157814.db2.gz TUOOOKWEIOGUAT-OAHLLOKOSA-N -1 3 385.428 0.446 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCC[C@H]2CN2CCOCC2)n1 ZINC000822608204 606165616 /nfs/dbraw/zinc/16/56/16/606165616.db2.gz AOFCGCSBOSMGHF-LBPRGKRZSA-N -1 3 375.437 0.319 20 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/nfs/dbraw/zinc/17/02/54/606170254.db2.gz UAUMCRCNLQAXNL-UHFFFAOYSA-N -1 3 384.440 0.968 20 0 GCADHM O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823405736 606170255 /nfs/dbraw/zinc/17/02/55/606170255.db2.gz UAUMCRCNLQAXNL-UHFFFAOYSA-N -1 3 384.440 0.968 20 0 GCADHM O=C(NCC1(CO)CC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823171449 606170637 /nfs/dbraw/zinc/17/06/37/606170637.db2.gz VOKSYDCJEJCOCC-UHFFFAOYSA-N -1 3 382.327 0.295 20 0 GCADHM O=C(NCC1(CO)CC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823171449 606170638 /nfs/dbraw/zinc/17/06/38/606170638.db2.gz VOKSYDCJEJCOCC-UHFFFAOYSA-N -1 3 382.327 0.295 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@]1(O)CCSC1 ZINC000821400447 606171138 /nfs/dbraw/zinc/17/11/38/606171138.db2.gz JWRJPCBAVROIBK-INIZCTEOSA-N -1 3 392.441 0.188 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@]1(O)CCSC1 ZINC000821400447 606171139 /nfs/dbraw/zinc/17/11/39/606171139.db2.gz JWRJPCBAVROIBK-INIZCTEOSA-N -1 3 392.441 0.188 20 0 GCADHM CC(C)N1C[C@H](NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1=O ZINC000820126550 606173508 /nfs/dbraw/zinc/17/35/08/606173508.db2.gz ADPNCLJNTSYDCF-CQSZACIVSA-N -1 3 398.471 0.708 20 0 GCADHM CC(C)N1C[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1=O ZINC000820126550 606173509 /nfs/dbraw/zinc/17/35/09/606173509.db2.gz ADPNCLJNTSYDCF-CQSZACIVSA-N -1 3 398.471 0.708 20 0 GCADHM CC(C)(C)N1C[C@@H](NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000819913860 606173734 /nfs/dbraw/zinc/17/37/34/606173734.db2.gz FWDWEWBOJDKATC-ZDUSSCGKSA-N -1 3 387.444 0.944 20 0 GCADHM CC(C)N1C[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC1=O ZINC000820126563 606173944 /nfs/dbraw/zinc/17/39/44/606173944.db2.gz AFJFNVAPVVJYRL-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)N1C[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC1=O ZINC000820126563 606173945 /nfs/dbraw/zinc/17/39/45/606173945.db2.gz AFJFNVAPVVJYRL-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)OC(=O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820142702 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KODLIIHSQFQLRU-LBPRGKRZSA-N -1 3 378.458 0.228 20 0 GCADHM NC(=O)C[C@@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822864758 606191532 /nfs/dbraw/zinc/19/15/32/606191532.db2.gz KODLIIHSQFQLRU-LBPRGKRZSA-N -1 3 378.458 0.228 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCC1(O)CCC2(CC1)OCCO2 ZINC000823009705 606193283 /nfs/dbraw/zinc/19/32/83/606193283.db2.gz QNABKGLSYUOGHV-UHFFFAOYSA-N -1 3 388.428 0.443 20 0 GCADHM C[C@H](NC(=O)N1CCN(C(C)(C)C(N)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820348482 606193342 /nfs/dbraw/zinc/19/33/42/606193342.db2.gz DBHKLDZBKVHELS-LBPRGKRZSA-N -1 3 386.460 0.519 20 0 GCADHM C[C@H](NC(=O)N1CCN(C(C)(C)C(N)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820348482 606193345 /nfs/dbraw/zinc/19/33/45/606193345.db2.gz DBHKLDZBKVHELS-LBPRGKRZSA-N -1 3 386.460 0.519 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000819891958 606193766 /nfs/dbraw/zinc/19/37/66/606193766.db2.gz NONAYHHDECAVCF-UHFFFAOYSA-N -1 3 376.396 0.419 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000819891958 606193767 /nfs/dbraw/zinc/19/37/67/606193767.db2.gz NONAYHHDECAVCF-UHFFFAOYSA-N -1 3 376.396 0.419 20 0 GCADHM Cc1cncc(NC(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000822399764 606195725 /nfs/dbraw/zinc/19/57/25/606195725.db2.gz MJYQVVAOHKZFMJ-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1cncc(NC(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000822399764 606195726 /nfs/dbraw/zinc/19/57/26/606195726.db2.gz MJYQVVAOHKZFMJ-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1cncc(NC(=O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000822399815 606195842 /nfs/dbraw/zinc/19/58/42/606195842.db2.gz NFXCEKORPIBNSJ-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1cncc(NC(=O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000822399815 606195844 /nfs/dbraw/zinc/19/58/44/606195844.db2.gz NFXCEKORPIBNSJ-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCn2nc(C)nc2C1 ZINC000821701223 606197161 /nfs/dbraw/zinc/19/71/61/606197161.db2.gz GZODBLRGCXRYAM-UHFFFAOYSA-N -1 3 398.427 0.977 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCn2nc(C)nc2C1 ZINC000821701223 606197163 /nfs/dbraw/zinc/19/71/63/606197163.db2.gz GZODBLRGCXRYAM-UHFFFAOYSA-N -1 3 398.427 0.977 20 0 GCADHM O=C(CNc1ccc(CC(=O)NCCO)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823082403 606197302 /nfs/dbraw/zinc/19/73/02/606197302.db2.gz HGVZCSFVKCTPRX-UHFFFAOYSA-N -1 3 395.423 0.568 20 0 GCADHM O=C(CNc1ccc(CC(=O)NCCO)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823082403 606197303 /nfs/dbraw/zinc/19/73/03/606197303.db2.gz HGVZCSFVKCTPRX-UHFFFAOYSA-N -1 3 395.423 0.568 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000819891598 606197786 /nfs/dbraw/zinc/19/77/86/606197786.db2.gz CNLLKNNEUPURDR-UHFFFAOYSA-N -1 3 390.423 0.097 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000819891598 606197789 /nfs/dbraw/zinc/19/77/89/606197789.db2.gz CNLLKNNEUPURDR-UHFFFAOYSA-N -1 3 390.423 0.097 20 0 GCADHM Cn1cncc1CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822703638 606200938 /nfs/dbraw/zinc/20/09/38/606200938.db2.gz ABIORRWNYADCBN-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM Cn1cncc1CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822703638 606200939 /nfs/dbraw/zinc/20/09/39/606200939.db2.gz ABIORRWNYADCBN-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM COCCCOC1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000821687483 606202326 /nfs/dbraw/zinc/20/23/26/606202326.db2.gz BDDOCAULEQOFAX-UHFFFAOYSA-N -1 3 398.427 0.512 20 0 GCADHM COCCCOC1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000821687483 606202328 /nfs/dbraw/zinc/20/23/28/606202328.db2.gz BDDOCAULEQOFAX-UHFFFAOYSA-N -1 3 398.427 0.512 20 0 GCADHM Cc1ccc([C@@H](CNC(=O)c2cc(-c3nnn[n-]3)cn2C)N2CCOCC2)o1 ZINC000822231037 606216437 /nfs/dbraw/zinc/21/64/37/606216437.db2.gz YCBVOOXSYHCARH-OAHLLOKOSA-N -1 3 385.428 0.910 20 0 GCADHM Cc1ccc([C@@H](CNC(=O)c2cc(-c3nn[n-]n3)cn2C)N2CCOCC2)o1 ZINC000822231037 606216439 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GCADHM C[C@@H]1CN(c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)cn3C)cn2)CCO1 ZINC000820769065 606227078 /nfs/dbraw/zinc/22/70/78/606227078.db2.gz RCHREIIJOYGOIO-GFCCVEGCSA-N -1 3 382.428 0.755 20 0 GCADHM COC(=O)/C(C)=C\COC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821639426 606227389 /nfs/dbraw/zinc/22/73/89/606227389.db2.gz YLRMYUOZYKTSPT-XFFZJAGNSA-N -1 3 394.409 0.444 20 0 GCADHM COC(=O)/C(C)=C\COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821639426 606227391 /nfs/dbraw/zinc/22/73/91/606227391.db2.gz YLRMYUOZYKTSPT-XFFZJAGNSA-N -1 3 394.409 0.444 20 0 GCADHM CCNC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821294434 606229137 /nfs/dbraw/zinc/22/91/37/606229137.db2.gz SPNOFBATGUAGMI-UHFFFAOYSA-N -1 3 383.368 0.740 20 0 GCADHM CCNC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821294434 606229138 /nfs/dbraw/zinc/22/91/38/606229138.db2.gz SPNOFBATGUAGMI-UHFFFAOYSA-N -1 3 383.368 0.740 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821588228 606229478 /nfs/dbraw/zinc/22/94/78/606229478.db2.gz HYXSQYKIQCTBHK-UHFFFAOYSA-N -1 3 389.441 0.386 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821588228 606229480 /nfs/dbraw/zinc/22/94/80/606229480.db2.gz HYXSQYKIQCTBHK-UHFFFAOYSA-N -1 3 389.441 0.386 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)NC(=O)NC1CCCCC1 ZINC000820500341 606232099 /nfs/dbraw/zinc/23/20/99/606232099.db2.gz DKQMBLWOGBSERP-VIFPVBQESA-N -1 3 375.389 0.899 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)NC(=O)NC1CCCCC1 ZINC000820500341 606232101 /nfs/dbraw/zinc/23/21/01/606232101.db2.gz DKQMBLWOGBSERP-VIFPVBQESA-N -1 3 375.389 0.899 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)Nc1sccc1C(N)=O ZINC000820503292 606234174 /nfs/dbraw/zinc/23/41/74/606234174.db2.gz ZXJJZFDTXBJPSY-LURJTMIESA-N -1 3 375.370 0.539 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)Nc1sccc1C(N)=O ZINC000820503292 606234175 /nfs/dbraw/zinc/23/41/75/606234175.db2.gz ZXJJZFDTXBJPSY-LURJTMIESA-N -1 3 375.370 0.539 20 0 GCADHM Cc1nc(C)c(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000822432152 606234201 /nfs/dbraw/zinc/23/42/01/606234201.db2.gz YYSIAZMTWDUNSF-UHFFFAOYSA-N -1 3 380.459 0.725 20 0 GCADHM Cc1nc(C)c(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000822432152 606234202 /nfs/dbraw/zinc/23/42/02/606234202.db2.gz YYSIAZMTWDUNSF-UHFFFAOYSA-N -1 3 380.459 0.725 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nnn[n-]1)C1Cc2ccccc2C1 ZINC000823578091 606235246 /nfs/dbraw/zinc/23/52/46/606235246.db2.gz HUCYYPZFSIVBMC-UHFFFAOYSA-N -1 3 385.453 0.760 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nn[n-]n1)C1Cc2ccccc2C1 ZINC000823578091 606235248 /nfs/dbraw/zinc/23/52/48/606235248.db2.gz HUCYYPZFSIVBMC-UHFFFAOYSA-N -1 3 385.453 0.760 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000820769758 606237805 /nfs/dbraw/zinc/23/78/05/606237805.db2.gz WJQCSTDSDGFZTE-IUODEOHRSA-N -1 3 378.458 0.208 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000820769758 606237806 /nfs/dbraw/zinc/23/78/06/606237806.db2.gz WJQCSTDSDGFZTE-IUODEOHRSA-N -1 3 378.458 0.208 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCc1nnc2ccccn21 ZINC000822153663 606239160 /nfs/dbraw/zinc/23/91/60/606239160.db2.gz OLWABZBVVOZGRZ-UHFFFAOYSA-N -1 3 384.425 0.739 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCc1nnc2ccccn21 ZINC000822153663 606239161 /nfs/dbraw/zinc/23/91/61/606239161.db2.gz OLWABZBVVOZGRZ-UHFFFAOYSA-N -1 3 384.425 0.739 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000822463428 606239300 /nfs/dbraw/zinc/23/93/00/606239300.db2.gz RLWBMSZQNXJOCO-NSHDSACASA-N -1 3 378.393 0.719 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000822463428 606239301 /nfs/dbraw/zinc/23/93/01/606239301.db2.gz RLWBMSZQNXJOCO-NSHDSACASA-N -1 3 378.393 0.719 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000822145621 606239316 /nfs/dbraw/zinc/23/93/16/606239316.db2.gz SLXMBFMLWAPBAI-AWEZNQCLSA-N -1 3 389.441 0.671 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000822145621 606239317 /nfs/dbraw/zinc/23/93/17/606239317.db2.gz SLXMBFMLWAPBAI-AWEZNQCLSA-N -1 3 389.441 0.671 20 0 GCADHM Cn1cc([C@H]2CN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674019 606239768 /nfs/dbraw/zinc/23/97/68/606239768.db2.gz JQLMXTFMFMZBIR-CYBMUJFWSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc([C@H]2CN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674019 606239770 /nfs/dbraw/zinc/23/97/70/606239770.db2.gz JQLMXTFMFMZBIR-CYBMUJFWSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822674581 606239824 /nfs/dbraw/zinc/23/98/24/606239824.db2.gz XLURHZQXRKBXCG-AWEZNQCLSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822674581 606239825 /nfs/dbraw/zinc/23/98/25/606239825.db2.gz XLURHZQXRKBXCG-AWEZNQCLSA-N -1 3 375.414 0.362 20 0 GCADHM COc1cccc(N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)cn3C)CC2=O)c1 ZINC000821873500 606242249 /nfs/dbraw/zinc/24/22/49/606242249.db2.gz UNFSJZKQHXRAKG-LBPRGKRZSA-N -1 3 381.396 0.749 20 0 GCADHM COc1cccc(N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)cn3C)CC2=O)c1 ZINC000821873500 606242250 /nfs/dbraw/zinc/24/22/50/606242250.db2.gz UNFSJZKQHXRAKG-LBPRGKRZSA-N -1 3 381.396 0.749 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000822637606 606242422 /nfs/dbraw/zinc/24/24/22/606242422.db2.gz QZNBAZGDGROMFF-UHFFFAOYSA-N -1 3 392.383 0.154 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000822637606 606242425 /nfs/dbraw/zinc/24/24/25/606242425.db2.gz QZNBAZGDGROMFF-UHFFFAOYSA-N -1 3 392.383 0.154 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000822655692 606242867 /nfs/dbraw/zinc/24/28/67/606242867.db2.gz UDVAAINPZHQTSX-UHFFFAOYSA-N -1 3 398.431 0.452 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 ZINC000822655692 606242869 /nfs/dbraw/zinc/24/28/69/606242869.db2.gz UDVAAINPZHQTSX-UHFFFAOYSA-N -1 3 398.431 0.452 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000822649458 606247453 /nfs/dbraw/zinc/24/74/53/606247453.db2.gz BXJFRULXFAAIIO-UHFFFAOYSA-N -1 3 382.384 0.063 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 ZINC000822649458 606247454 /nfs/dbraw/zinc/24/74/54/606247454.db2.gz BXJFRULXFAAIIO-UHFFFAOYSA-N -1 3 382.384 0.063 20 0 GCADHM CCc1cc(N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)cn3C)C2)ncn1 ZINC000821470502 606253270 /nfs/dbraw/zinc/25/32/70/606253270.db2.gz PVNZTGAVAISHRO-CQSZACIVSA-N -1 3 381.444 0.956 20 0 GCADHM CCc1cc(N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)cn3C)C2)ncn1 ZINC000821470502 606253272 /nfs/dbraw/zinc/25/32/72/606253272.db2.gz PVNZTGAVAISHRO-CQSZACIVSA-N -1 3 381.444 0.956 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000822649952 606257256 /nfs/dbraw/zinc/25/72/56/606257256.db2.gz NPBJLZKXFBLILJ-LLVKDONJSA-N -1 3 379.380 0.663 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000822649952 606257258 /nfs/dbraw/zinc/25/72/58/606257258.db2.gz NPBJLZKXFBLILJ-LLVKDONJSA-N -1 3 379.380 0.663 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000822649954 606257454 /nfs/dbraw/zinc/25/74/54/606257454.db2.gz NPBJLZKXFBLILJ-NSHDSACASA-N -1 3 379.380 0.663 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000822649954 606257455 /nfs/dbraw/zinc/25/74/55/606257455.db2.gz NPBJLZKXFBLILJ-NSHDSACASA-N -1 3 379.380 0.663 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000823488223 606261586 /nfs/dbraw/zinc/26/15/86/606261586.db2.gz KFVAVFPNIGQMAB-UHFFFAOYSA-N -1 3 391.395 0.669 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000823488223 606261589 /nfs/dbraw/zinc/26/15/89/606261589.db2.gz KFVAVFPNIGQMAB-UHFFFAOYSA-N -1 3 391.395 0.669 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000823467616 606264638 /nfs/dbraw/zinc/26/46/38/606264638.db2.gz YYTZAXGCBQMHQP-UHFFFAOYSA-N -1 3 377.359 0.744 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000823467616 606264639 /nfs/dbraw/zinc/26/46/39/606264639.db2.gz YYTZAXGCBQMHQP-UHFFFAOYSA-N -1 3 377.359 0.744 20 0 GCADHM O=C(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(c2ccccn2)CC1 ZINC000823182179 606265808 /nfs/dbraw/zinc/26/58/08/606265808.db2.gz ISBZWTCWPDTYAY-UHFFFAOYSA-N -1 3 395.427 0.059 20 0 GCADHM O=C(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(c2ccccn2)CC1 ZINC000823182179 606265809 /nfs/dbraw/zinc/26/58/09/606265809.db2.gz ISBZWTCWPDTYAY-UHFFFAOYSA-N -1 3 395.427 0.059 20 0 GCADHM O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823176715 606274886 /nfs/dbraw/zinc/27/48/86/606274886.db2.gz XHPCLWPDBIOQSJ-UHFFFAOYSA-N -1 3 389.388 0.189 20 0 GCADHM O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823176715 606274887 /nfs/dbraw/zinc/27/48/87/606274887.db2.gz XHPCLWPDBIOQSJ-UHFFFAOYSA-N -1 3 389.388 0.189 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000822627142 606277260 /nfs/dbraw/zinc/27/72/60/606277260.db2.gz KPHZQLPVYATSTP-MRXNPFEDSA-N -1 3 394.439 0.190 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000822627142 606277262 /nfs/dbraw/zinc/27/72/62/606277262.db2.gz KPHZQLPVYATSTP-MRXNPFEDSA-N -1 3 394.439 0.190 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cn2)C[C@H](C)O1 ZINC000820736216 606282737 /nfs/dbraw/zinc/28/27/37/606282737.db2.gz YCMFXESRCOEDNW-PHIMTYICSA-N -1 3 399.415 0.279 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cn2)C[C@H](C)O1 ZINC000820736216 606282738 /nfs/dbraw/zinc/28/27/38/606282738.db2.gz YCMFXESRCOEDNW-PHIMTYICSA-N -1 3 399.415 0.279 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000822632090 606283677 /nfs/dbraw/zinc/28/36/77/606283677.db2.gz QNQYQLABQCGOIF-UHFFFAOYSA-N -1 3 391.386 0.755 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000822632090 606283678 /nfs/dbraw/zinc/28/36/78/606283678.db2.gz QNQYQLABQCGOIF-UHFFFAOYSA-N -1 3 391.386 0.755 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000822636220 606289685 /nfs/dbraw/zinc/28/96/85/606289685.db2.gz AAZCMBYLTULTEV-NSHDSACASA-N -1 3 386.368 0.104 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000822636220 606289687 /nfs/dbraw/zinc/28/96/87/606289687.db2.gz AAZCMBYLTULTEV-NSHDSACASA-N -1 3 386.368 0.104 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000822636514 606289739 /nfs/dbraw/zinc/28/97/39/606289739.db2.gz GSVHAXLADIQAEQ-LBPRGKRZSA-N -1 3 380.412 0.313 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000822636514 606289740 /nfs/dbraw/zinc/28/97/40/606289740.db2.gz GSVHAXLADIQAEQ-LBPRGKRZSA-N -1 3 380.412 0.313 20 0 GCADHM CNC(=O)N1CCN(C(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC000821633807 606291358 /nfs/dbraw/zinc/29/13/58/606291358.db2.gz DXKCXTBPOQCOHA-HNNXBMFYSA-N -1 3 387.444 0.754 20 0 GCADHM CNC(=O)N1CCN(C(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC000821633807 606291359 /nfs/dbraw/zinc/29/13/59/606291359.db2.gz DXKCXTBPOQCOHA-HNNXBMFYSA-N -1 3 387.444 0.754 20 0 GCADHM O=C(NC[C@@H](O)COCC1CC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823166701 606292693 /nfs/dbraw/zinc/29/26/93/606292693.db2.gz NJBHBVKDNQDAFP-IAGOWNOFSA-N -1 3 386.456 0.739 20 0 GCADHM COC(=O)[C@@H](NCC(=O)NCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821641987 606300207 /nfs/dbraw/zinc/30/02/07/606300207.db2.gz BQXYLBCCBRCCBC-KRWDZBQOSA-N -1 3 380.408 0.987 20 0 GCADHM COC(=O)[C@@H](NCC(=O)NCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821641987 606300208 /nfs/dbraw/zinc/30/02/08/606300208.db2.gz BQXYLBCCBRCCBC-KRWDZBQOSA-N -1 3 380.408 0.987 20 0 GCADHM COC(=O)[C@H](NCc1nnnn1-c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645169 606305717 /nfs/dbraw/zinc/30/57/17/606305717.db2.gz SNGSFRQZGAHYHZ-MRXNPFEDSA-N -1 3 391.395 0.846 20 0 GCADHM COC(=O)[C@H](NCc1nnnn1-c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645169 606305719 /nfs/dbraw/zinc/30/57/19/606305719.db2.gz SNGSFRQZGAHYHZ-MRXNPFEDSA-N -1 3 391.395 0.846 20 0 GCADHM COC(=O)[C@H](Nc1ccn(CC(=O)N(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645039 606307039 /nfs/dbraw/zinc/30/70/39/606307039.db2.gz PUFCZJDNJLFRTJ-OAHLLOKOSA-N -1 3 384.400 0.478 20 0 GCADHM COC(=O)[C@H](Nc1ccn(CC(=O)N(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645039 606307040 /nfs/dbraw/zinc/30/70/40/606307040.db2.gz PUFCZJDNJLFRTJ-OAHLLOKOSA-N -1 3 384.400 0.478 20 0 GCADHM CCN1CCO[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000821275591 606309270 /nfs/dbraw/zinc/30/92/70/606309270.db2.gz BDQONODEKGSAFK-ZDUSSCGKSA-N -1 3 394.819 0.723 20 0 GCADHM CCN1CCO[C@H](C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000821275591 606309272 /nfs/dbraw/zinc/30/92/72/606309272.db2.gz BDQONODEKGSAFK-ZDUSSCGKSA-N -1 3 394.819 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/nfs/dbraw/zinc/54/50/22/606545022.db2.gz MSOUILDSVWNDOD-GFCCVEGCSA-N -1 3 375.385 0.808 20 0 GCADHM COC(=O)[C@H]1CCCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000821665950 606545023 /nfs/dbraw/zinc/54/50/23/606545023.db2.gz MSOUILDSVWNDOD-GFCCVEGCSA-N -1 3 375.385 0.808 20 0 GCADHM NC(=O)C[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000822864872 606547544 /nfs/dbraw/zinc/54/75/44/606547544.db2.gz NVBYQKIEFMEWOG-CQSZACIVSA-N -1 3 390.469 0.746 20 0 GCADHM NC(=O)C[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000822864872 606547546 /nfs/dbraw/zinc/54/75/46/606547546.db2.gz NVBYQKIEFMEWOG-CQSZACIVSA-N -1 3 390.469 0.746 20 0 GCADHM CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC000820915331 606549326 /nfs/dbraw/zinc/54/93/26/606549326.db2.gz VKCLMLNKRRZQHF-AWEZNQCLSA-N -1 3 390.469 0.712 20 0 GCADHM CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC000820915331 606549327 /nfs/dbraw/zinc/54/93/27/606549327.db2.gz VKCLMLNKRRZQHF-AWEZNQCLSA-N -1 3 390.469 0.712 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)cc3)C[C@H]2C)CC1 ZINC000819797275 606550691 /nfs/dbraw/zinc/55/06/91/606550691.db2.gz YDBHDHHMXWZUMI-CXAGYDPISA-N -1 3 383.456 0.491 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)cc3)C[C@H]2C)CC1 ZINC000819797275 606550692 /nfs/dbraw/zinc/55/06/92/606550692.db2.gz YDBHDHHMXWZUMI-CXAGYDPISA-N -1 3 383.456 0.491 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C)CC1 ZINC000819796792 606550845 /nfs/dbraw/zinc/55/08/45/606550845.db2.gz PEMGDEHKIADYBG-KSSFIOAISA-N -1 3 397.483 0.420 20 0 GCADHM CCn1nc2c(cc1=O)CN(C(=O)[C@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821568473 606550985 /nfs/dbraw/zinc/55/09/85/606550985.db2.gz WBKGTFPJIVYUJD-LBPRGKRZSA-N -1 3 395.423 0.796 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H](C)C(=O)N(C)C ZINC000821701501 606551284 /nfs/dbraw/zinc/55/12/84/606551284.db2.gz QQQQWLIATDIFBW-LLVKDONJSA-N -1 3 376.417 0.627 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H](C)C(=O)N(C)C ZINC000821701501 606551286 /nfs/dbraw/zinc/55/12/86/606551286.db2.gz QQQQWLIATDIFBW-LLVKDONJSA-N -1 3 376.417 0.627 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000822955216 606553354 /nfs/dbraw/zinc/55/33/54/606553354.db2.gz MNRMVSJXGVZTJD-CQSZACIVSA-N -1 3 385.428 0.652 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000822955216 606553355 /nfs/dbraw/zinc/55/33/55/606553355.db2.gz MNRMVSJXGVZTJD-CQSZACIVSA-N -1 3 385.428 0.652 20 0 GCADHM Cn1ncc2c1ncnc2N1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000822708719 606553975 /nfs/dbraw/zinc/55/39/75/606553975.db2.gz BGZIKSZMFAQDJB-UHFFFAOYSA-N -1 3 396.440 0.567 20 0 GCADHM Cn1ncc2c1ncnc2N1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000822708719 606553976 /nfs/dbraw/zinc/55/39/76/606553976.db2.gz BGZIKSZMFAQDJB-UHFFFAOYSA-N -1 3 396.440 0.567 20 0 GCADHM COc1cc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1OCC(N)=O ZINC000821717705 606554052 /nfs/dbraw/zinc/55/40/52/606554052.db2.gz VFCYFNOYQFGLMA-UHFFFAOYSA-N -1 3 388.409 0.731 20 0 GCADHM COc1cc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1OCC(N)=O ZINC000821717705 606554053 /nfs/dbraw/zinc/55/40/53/606554053.db2.gz VFCYFNOYQFGLMA-UHFFFAOYSA-N -1 3 388.409 0.731 20 0 GCADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822534883 606555652 /nfs/dbraw/zinc/55/56/52/606555652.db2.gz AXVQKYAPHPEZLQ-UHFFFAOYSA-N -1 3 394.399 0.801 20 0 GCADHM Cc1oc(-c2cnn(C)c2)nc1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822534883 606555654 /nfs/dbraw/zinc/55/56/54/606555654.db2.gz AXVQKYAPHPEZLQ-UHFFFAOYSA-N -1 3 394.399 0.801 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822890182 606559309 /nfs/dbraw/zinc/55/93/09/606559309.db2.gz OLRDQQSDKNTUJS-OAHLLOKOSA-N -1 3 391.435 0.903 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822890182 606559311 /nfs/dbraw/zinc/55/93/11/606559311.db2.gz OLRDQQSDKNTUJS-OAHLLOKOSA-N -1 3 391.435 0.903 20 0 GCADHM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC000820921010 606572985 /nfs/dbraw/zinc/57/29/85/606572985.db2.gz UVCZZORWKDGNPG-SWLSCSKDSA-N -1 3 387.444 0.864 20 0 GCADHM CC[C@@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC000820921010 606572987 /nfs/dbraw/zinc/57/29/87/606572987.db2.gz UVCZZORWKDGNPG-SWLSCSKDSA-N -1 3 387.444 0.864 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)Cc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822680885 606573788 /nfs/dbraw/zinc/57/37/88/606573788.db2.gz QRWDAPLMBKMONE-HNNXBMFYSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)Cc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822680885 606573790 /nfs/dbraw/zinc/57/37/90/606573790.db2.gz QRWDAPLMBKMONE-HNNXBMFYSA-N -1 3 380.412 0.455 20 0 GCADHM COC(=O)C[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CCO1 ZINC000821658677 606576057 /nfs/dbraw/zinc/57/60/57/606576057.db2.gz FBWPOVHRGUIQTP-LLVKDONJSA-N -1 3 376.373 0.671 20 0 GCADHM COC(=O)C[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CCO1 ZINC000821658677 606576059 /nfs/dbraw/zinc/57/60/59/606576059.db2.gz FBWPOVHRGUIQTP-LLVKDONJSA-N -1 3 376.373 0.671 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000821762406 606576518 /nfs/dbraw/zinc/57/65/18/606576518.db2.gz KPFFAWCUNXPPNZ-UHFFFAOYSA-N -1 3 380.430 0.822 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000821762406 606576520 /nfs/dbraw/zinc/57/65/20/606576520.db2.gz KPFFAWCUNXPPNZ-UHFFFAOYSA-N -1 3 380.430 0.822 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000823108264 606578243 /nfs/dbraw/zinc/57/82/43/606578243.db2.gz KSVZIRPIHQMMKV-ZDUSSCGKSA-N -1 3 387.425 0.604 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000823108264 606578245 /nfs/dbraw/zinc/57/82/45/606578245.db2.gz KSVZIRPIHQMMKV-ZDUSSCGKSA-N -1 3 387.425 0.604 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000823108163 606578372 /nfs/dbraw/zinc/57/83/72/606578372.db2.gz KSVZIRPIHQMMKV-CYBMUJFWSA-N -1 3 387.425 0.604 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000823108163 606578374 /nfs/dbraw/zinc/57/83/74/606578374.db2.gz KSVZIRPIHQMMKV-CYBMUJFWSA-N -1 3 387.425 0.604 20 0 GCADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCOCC1 ZINC000820920067 606579253 /nfs/dbraw/zinc/57/92/53/606579253.db2.gz KAHRAPJESOHYMB-LBPRGKRZSA-N -1 3 377.380 0.765 20 0 GCADHM CC[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCOCC1 ZINC000820920067 606579254 /nfs/dbraw/zinc/57/92/54/606579254.db2.gz KAHRAPJESOHYMB-LBPRGKRZSA-N -1 3 377.380 0.765 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000823303370 606581667 /nfs/dbraw/zinc/58/16/67/606581667.db2.gz HBYGJFIDSCADLB-LLVKDONJSA-N -1 3 387.791 0.701 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000823303370 606581668 /nfs/dbraw/zinc/58/16/68/606581668.db2.gz HBYGJFIDSCADLB-LLVKDONJSA-N -1 3 387.791 0.701 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820766716 606584390 /nfs/dbraw/zinc/58/43/90/606584390.db2.gz CTWZNTYZARFRPV-YPMHNXCESA-N -1 3 394.457 0.032 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820766716 606584391 /nfs/dbraw/zinc/58/43/91/606584391.db2.gz CTWZNTYZARFRPV-YPMHNXCESA-N -1 3 394.457 0.032 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820768047 606584408 /nfs/dbraw/zinc/58/44/08/606584408.db2.gz LINFJYGBMSIJNM-FZMZJTMJSA-N -1 3 378.458 0.195 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820768047 606584409 /nfs/dbraw/zinc/58/44/09/606584409.db2.gz LINFJYGBMSIJNM-FZMZJTMJSA-N -1 3 378.458 0.195 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820768050 606584676 /nfs/dbraw/zinc/58/46/76/606584676.db2.gz LINFJYGBMSIJNM-SMDDNHRTSA-N -1 3 378.458 0.195 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820768050 606584677 /nfs/dbraw/zinc/58/46/77/606584677.db2.gz LINFJYGBMSIJNM-SMDDNHRTSA-N -1 3 378.458 0.195 20 0 GCADHM CCn1nc2c(cc1=O)CN(C(=O)NCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821568513 606586134 /nfs/dbraw/zinc/58/61/34/606586134.db2.gz XKXQCUIPZFFHLN-UHFFFAOYSA-N -1 3 380.412 0.711 20 0 GCADHM CCn1nc2c(cc1=O)CN(C(=O)NCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821568513 606586136 /nfs/dbraw/zinc/58/61/36/606586136.db2.gz XKXQCUIPZFFHLN-UHFFFAOYSA-N -1 3 380.412 0.711 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000821700062 606587559 /nfs/dbraw/zinc/58/75/59/606587559.db2.gz BUFINQJNCGAYTM-CMPLNLGQSA-N -1 3 395.441 0.288 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000821700062 606587561 /nfs/dbraw/zinc/58/75/61/606587561.db2.gz BUFINQJNCGAYTM-CMPLNLGQSA-N -1 3 395.441 0.288 20 0 GCADHM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000820636355 606589588 /nfs/dbraw/zinc/58/95/88/606589588.db2.gz RLKYFKPOMPQWFV-IBGZPJMESA-N -1 3 391.391 0.908 20 0 GCADHM C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000820636355 606589590 /nfs/dbraw/zinc/58/95/90/606589590.db2.gz RLKYFKPOMPQWFV-IBGZPJMESA-N -1 3 391.391 0.908 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821636023 606590314 /nfs/dbraw/zinc/59/03/14/606590314.db2.gz BUQPHPCYUNYEAK-MMQHEFTJSA-N -1 3 376.442 0.420 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821636023 606590316 /nfs/dbraw/zinc/59/03/16/606590316.db2.gz BUQPHPCYUNYEAK-MMQHEFTJSA-N -1 3 376.442 0.420 20 0 GCADHM O=C1CC2(CN1CN1CCN(c3ncccc3-c3nnn[n-]3)CC1)CCOCC2 ZINC000823525060 606591278 /nfs/dbraw/zinc/59/12/78/606591278.db2.gz FYCDLLXQYKRIKF-UHFFFAOYSA-N -1 3 398.471 0.370 20 0 GCADHM O=C1CC2(CN1CN1CCN(c3ncccc3-c3nn[n-]n3)CC1)CCOCC2 ZINC000823525060 606591280 /nfs/dbraw/zinc/59/12/80/606591280.db2.gz FYCDLLXQYKRIKF-UHFFFAOYSA-N -1 3 398.471 0.370 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncccc2F)CC1 ZINC000823601201 606593220 /nfs/dbraw/zinc/59/32/20/606593220.db2.gz VVZAUPNDZWTBND-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncccc2F)CC1 ZINC000823601201 606593222 /nfs/dbraw/zinc/59/32/22/606593222.db2.gz VVZAUPNDZWTBND-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000820752069 606595767 /nfs/dbraw/zinc/59/57/67/606595767.db2.gz JZMRBWLTKGJFHL-FRRDWIJNSA-N -1 3 389.464 0.706 20 0 GCADHM C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000820752069 606595768 /nfs/dbraw/zinc/59/57/68/606595768.db2.gz JZMRBWLTKGJFHL-FRRDWIJNSA-N -1 3 389.464 0.706 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820769973 606599491 /nfs/dbraw/zinc/59/94/91/606599491.db2.gz YIDMRKIPGOUCLP-BXUZGUMPSA-N -1 3 393.473 0.336 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820769973 606599493 /nfs/dbraw/zinc/59/94/93/606599493.db2.gz YIDMRKIPGOUCLP-BXUZGUMPSA-N -1 3 393.473 0.336 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820766201 606599800 /nfs/dbraw/zinc/59/98/00/606599800.db2.gz ANFJUDNCBHISQV-BXUZGUMPSA-N -1 3 393.473 0.336 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820766201 606599801 /nfs/dbraw/zinc/59/98/01/606599801.db2.gz ANFJUDNCBHISQV-BXUZGUMPSA-N -1 3 393.473 0.336 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636239 606601927 /nfs/dbraw/zinc/60/19/27/606601927.db2.gz KODLIXLOFHZUIJ-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636239 606601928 /nfs/dbraw/zinc/60/19/28/606601928.db2.gz KODLIXLOFHZUIJ-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000823541822 606602470 /nfs/dbraw/zinc/60/24/70/606602470.db2.gz SNBBIDMONBEHDD-AWEZNQCLSA-N -1 3 399.411 0.178 20 0 GCADHM CC(C)[C@H](C)CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820016185 606604200 /nfs/dbraw/zinc/60/42/00/606604200.db2.gz KGFIPIKDIKOSLF-GFCCVEGCSA-N -1 3 397.443 0.853 20 0 GCADHM CC(C)[C@H](C)CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820016185 606604201 /nfs/dbraw/zinc/60/42/01/606604201.db2.gz KGFIPIKDIKOSLF-GFCCVEGCSA-N -1 3 397.443 0.853 20 0 GCADHM C[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000820717808 606604943 /nfs/dbraw/zinc/60/49/43/606604943.db2.gz WVTDHZYCESKHIU-NSHDSACASA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000820717808 606604946 /nfs/dbraw/zinc/60/49/46/606604946.db2.gz WVTDHZYCESKHIU-NSHDSACASA-N -1 3 381.400 0.313 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821655598 606605439 /nfs/dbraw/zinc/60/54/39/606605439.db2.gz OBGCJGRZKGTIFM-VIFPVBQESA-N -1 3 376.348 0.356 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821655598 606605441 /nfs/dbraw/zinc/60/54/41/606605441.db2.gz OBGCJGRZKGTIFM-VIFPVBQESA-N -1 3 376.348 0.356 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000821690922 606605742 /nfs/dbraw/zinc/60/57/42/606605742.db2.gz BFIYUCYPHVHLGA-UHFFFAOYSA-N -1 3 393.835 0.249 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000821690922 606605744 /nfs/dbraw/zinc/60/57/44/606605744.db2.gz BFIYUCYPHVHLGA-UHFFFAOYSA-N -1 3 393.835 0.249 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)NC1CCCC1 ZINC000823382676 606606460 /nfs/dbraw/zinc/60/64/60/606606460.db2.gz CVPBFEVMKTZXBO-UHFFFAOYSA-N -1 3 381.400 0.504 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)NC1CCCC1 ZINC000823382676 606606461 /nfs/dbraw/zinc/60/64/61/606606461.db2.gz CVPBFEVMKTZXBO-UHFFFAOYSA-N -1 3 381.400 0.504 20 0 GCADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(=O)NC(CO)CO ZINC000823367741 606607103 /nfs/dbraw/zinc/60/71/03/606607103.db2.gz OUDGGLPCNITWNX-UHFFFAOYSA-N -1 3 398.379 0.067 20 0 GCADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)NC(CO)CO ZINC000823367741 606607104 /nfs/dbraw/zinc/60/71/04/606607104.db2.gz OUDGGLPCNITWNX-UHFFFAOYSA-N -1 3 398.379 0.067 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000823294662 606607178 /nfs/dbraw/zinc/60/71/78/606607178.db2.gz MCIDHHDLGMFOKW-KOLCDFICSA-N -1 3 396.354 0.826 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000823294662 606607180 /nfs/dbraw/zinc/60/71/80/606607180.db2.gz MCIDHHDLGMFOKW-KOLCDFICSA-N -1 3 396.354 0.826 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@H]1C ZINC000820313732 606608154 /nfs/dbraw/zinc/60/81/54/606608154.db2.gz GAVLPUIQWDBEBZ-VXGBXAGGSA-N -1 3 385.428 0.711 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@H]1C ZINC000820313732 606608156 /nfs/dbraw/zinc/60/81/56/606608156.db2.gz GAVLPUIQWDBEBZ-VXGBXAGGSA-N -1 3 385.428 0.711 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)CC2 ZINC000821509975 606609634 /nfs/dbraw/zinc/60/96/34/606609634.db2.gz RGKPFLNNPOCWMQ-LBPRGKRZSA-N -1 3 395.427 0.399 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CC2 ZINC000821509975 606609636 /nfs/dbraw/zinc/60/96/36/606609636.db2.gz RGKPFLNNPOCWMQ-LBPRGKRZSA-N -1 3 395.427 0.399 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)CC2 ZINC000821509917 606609670 /nfs/dbraw/zinc/60/96/70/606609670.db2.gz PKGLTEOIUQKEHQ-NSHDSACASA-N -1 3 395.427 0.399 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)CC2 ZINC000821509917 606609672 /nfs/dbraw/zinc/60/96/72/606609672.db2.gz PKGLTEOIUQKEHQ-NSHDSACASA-N -1 3 395.427 0.399 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000822860496 606610150 /nfs/dbraw/zinc/61/01/50/606610150.db2.gz WRGRDMWVWBIGMD-UHFFFAOYSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000822860496 606610151 /nfs/dbraw/zinc/61/01/51/606610151.db2.gz WRGRDMWVWBIGMD-UHFFFAOYSA-N -1 3 391.819 0.619 20 0 GCADHM C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820280327 606610924 /nfs/dbraw/zinc/61/09/24/606610924.db2.gz DMPUMJCGHATMNA-SFYZADRCSA-N -1 3 386.334 0.957 20 0 GCADHM C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820280327 606610926 /nfs/dbraw/zinc/61/09/26/606610926.db2.gz DMPUMJCGHATMNA-SFYZADRCSA-N -1 3 386.334 0.957 20 0 GCADHM C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820280326 606611136 /nfs/dbraw/zinc/61/11/36/606611136.db2.gz DMPUMJCGHATMNA-JGVFFNPUSA-N -1 3 386.334 0.957 20 0 GCADHM C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820280326 606611137 /nfs/dbraw/zinc/61/11/37/606611137.db2.gz DMPUMJCGHATMNA-JGVFFNPUSA-N -1 3 386.334 0.957 20 0 GCADHM CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820020304 606611139 /nfs/dbraw/zinc/61/11/39/606611139.db2.gz DKLSOOJOFJAHFZ-SNVBAGLBSA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820020304 606611140 /nfs/dbraw/zinc/61/11/40/606611140.db2.gz DKLSOOJOFJAHFZ-SNVBAGLBSA-N -1 3 398.370 0.930 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000823360248 606612116 /nfs/dbraw/zinc/61/21/16/606612116.db2.gz XPUNDPWQGLZKJO-AWEZNQCLSA-N -1 3 397.439 0.666 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000823360248 606612118 /nfs/dbraw/zinc/61/21/18/606612118.db2.gz XPUNDPWQGLZKJO-AWEZNQCLSA-N -1 3 397.439 0.666 20 0 GCADHM CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000820908900 606612554 /nfs/dbraw/zinc/61/25/54/606612554.db2.gz RDKKSQMAFLLSMF-CYBMUJFWSA-N -1 3 387.444 0.029 20 0 GCADHM CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000820908900 606612557 /nfs/dbraw/zinc/61/25/57/606612557.db2.gz RDKKSQMAFLLSMF-CYBMUJFWSA-N -1 3 387.444 0.029 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)[C@@H](CO)SC ZINC000821400599 606612685 /nfs/dbraw/zinc/61/26/85/606612685.db2.gz MEQQYBZYGQQJQK-NOZJJQNGSA-N -1 3 394.457 0.433 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)[C@@H](CO)SC ZINC000821400599 606612687 /nfs/dbraw/zinc/61/26/87/606612687.db2.gz MEQQYBZYGQQJQK-NOZJJQNGSA-N -1 3 394.457 0.433 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CCO)CSC ZINC000821755402 606612782 /nfs/dbraw/zinc/61/27/82/606612782.db2.gz FYYRBDKXVNPZGC-JTQLQIEISA-N -1 3 380.430 0.044 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CCO)CSC ZINC000821755402 606612783 /nfs/dbraw/zinc/61/27/83/606612783.db2.gz FYYRBDKXVNPZGC-JTQLQIEISA-N -1 3 380.430 0.044 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)[C@H](CO)SC ZINC000821757506 606613277 /nfs/dbraw/zinc/61/32/77/606613277.db2.gz YGMQQUCLWOFOBY-UFBFGSQYSA-N -1 3 380.430 0.042 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@H](CO)SC ZINC000821757506 606613279 /nfs/dbraw/zinc/61/32/79/606613279.db2.gz YGMQQUCLWOFOBY-UFBFGSQYSA-N -1 3 380.430 0.042 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821863798 606613457 /nfs/dbraw/zinc/61/34/57/606613457.db2.gz PIJUOYCOYLJTNZ-HNNXBMFYSA-N -1 3 382.380 0.664 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821863798 606613458 /nfs/dbraw/zinc/61/34/58/606613458.db2.gz PIJUOYCOYLJTNZ-HNNXBMFYSA-N -1 3 382.380 0.664 20 0 GCADHM CO[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1(C)C ZINC000821677643 606614080 /nfs/dbraw/zinc/61/40/80/606614080.db2.gz BCYILOUVBCZCAL-KBPBESRZSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1(C)C ZINC000821677643 606614082 /nfs/dbraw/zinc/61/40/82/606614082.db2.gz BCYILOUVBCZCAL-KBPBESRZSA-N -1 3 386.460 0.907 20 0 GCADHM C[C@@H](N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)F ZINC000820306995 606614244 /nfs/dbraw/zinc/61/42/44/606614244.db2.gz HXWKWMIPAMIUHV-SNVBAGLBSA-N -1 3 397.361 0.900 20 0 GCADHM C[C@@H](N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)F ZINC000820306995 606614246 /nfs/dbraw/zinc/61/42/46/606614246.db2.gz HXWKWMIPAMIUHV-SNVBAGLBSA-N -1 3 397.361 0.900 20 0 GCADHM CO[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1(C)C ZINC000821678843 606614944 /nfs/dbraw/zinc/61/49/44/606614944.db2.gz SWBULWLNXMBCLD-UONOGXRCSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1(C)C ZINC000821678843 606614945 /nfs/dbraw/zinc/61/49/45/606614945.db2.gz SWBULWLNXMBCLD-UONOGXRCSA-N -1 3 386.460 0.907 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820766904 606618234 /nfs/dbraw/zinc/61/82/34/606618234.db2.gz DZEWFXHMWCNUMV-PWSUYJOCSA-N -1 3 395.514 0.823 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820766904 606618235 /nfs/dbraw/zinc/61/82/35/606618235.db2.gz DZEWFXHMWCNUMV-PWSUYJOCSA-N -1 3 395.514 0.823 20 0 GCADHM C[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820395949 606618518 /nfs/dbraw/zinc/61/85/18/606618518.db2.gz AGQPMLIOGIDLOR-SNVBAGLBSA-N -1 3 390.425 1.000 20 0 GCADHM C[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820395949 606618520 /nfs/dbraw/zinc/61/85/20/606618520.db2.gz AGQPMLIOGIDLOR-SNVBAGLBSA-N -1 3 390.425 1.000 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000821609625 606619673 /nfs/dbraw/zinc/61/96/73/606619673.db2.gz FHOLFCJSEVUBDA-UHFFFAOYSA-N -1 3 390.425 0.781 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000821609625 606619674 /nfs/dbraw/zinc/61/96/74/606619674.db2.gz FHOLFCJSEVUBDA-UHFFFAOYSA-N -1 3 390.425 0.781 20 0 GCADHM CCOC(=O)C1(O)CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000821320112 606621671 /nfs/dbraw/zinc/62/16/71/606621671.db2.gz KQEOZCDNBZCECO-UHFFFAOYSA-N -1 3 380.430 0.257 20 0 GCADHM CCOC(=O)C1(O)CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000821320112 606621672 /nfs/dbraw/zinc/62/16/72/606621672.db2.gz KQEOZCDNBZCECO-UHFFFAOYSA-N -1 3 380.430 0.257 20 0 GCADHM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C[C@H]1CCOC1 ZINC000821593869 606621724 /nfs/dbraw/zinc/62/17/24/606621724.db2.gz NQKAGVMTXGEMAT-CYBMUJFWSA-N -1 3 382.428 0.959 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636351 606623743 /nfs/dbraw/zinc/62/37/43/606623743.db2.gz OGZIGJYXYFMASS-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636351 606623745 /nfs/dbraw/zinc/62/37/45/606623745.db2.gz OGZIGJYXYFMASS-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821636634 606623869 /nfs/dbraw/zinc/62/38/69/606623869.db2.gz XIMJHFOEMKLVBR-BXUZGUMPSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821636634 606623871 /nfs/dbraw/zinc/62/38/71/606623871.db2.gz XIMJHFOEMKLVBR-BXUZGUMPSA-N -1 3 393.473 0.207 20 0 GCADHM COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000821657049 606625880 /nfs/dbraw/zinc/62/58/80/606625880.db2.gz GEOGCVUQZHQUJD-GFCCVEGCSA-N -1 3 392.803 0.917 20 0 GCADHM COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000821657049 606625881 /nfs/dbraw/zinc/62/58/81/606625881.db2.gz GEOGCVUQZHQUJD-GFCCVEGCSA-N -1 3 392.803 0.917 20 0 GCADHM CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000821931335 606626748 /nfs/dbraw/zinc/62/67/48/606626748.db2.gz CFCFLWQTEOGDPZ-UHFFFAOYSA-N -1 3 399.864 0.036 20 0 GCADHM CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000821931335 606626749 /nfs/dbraw/zinc/62/67/49/606626749.db2.gz CFCFLWQTEOGDPZ-UHFFFAOYSA-N -1 3 399.864 0.036 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC000819857045 606631280 /nfs/dbraw/zinc/63/12/80/606631280.db2.gz OITGCADMCTWNGF-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC000819857045 606631281 /nfs/dbraw/zinc/63/12/81/606631281.db2.gz OITGCADMCTWNGF-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820287352 606631461 /nfs/dbraw/zinc/63/14/61/606631461.db2.gz LBBYWOVAKYAOGT-AAEUAGOBSA-N -1 3 376.421 0.167 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820287352 606631462 /nfs/dbraw/zinc/63/14/62/606631462.db2.gz LBBYWOVAKYAOGT-AAEUAGOBSA-N -1 3 376.421 0.167 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)Nc1sccc1-c1nnn[n-]1 ZINC000823000652 606632158 /nfs/dbraw/zinc/63/21/58/606632158.db2.gz CCNTWBBNWWCZNL-NWDGAFQWSA-N -1 3 396.498 0.908 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)Nc1sccc1-c1nn[n-]n1 ZINC000823000652 606632160 /nfs/dbraw/zinc/63/21/60/606632160.db2.gz CCNTWBBNWWCZNL-NWDGAFQWSA-N -1 3 396.498 0.908 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccon1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823201901 606632395 /nfs/dbraw/zinc/63/23/95/606632395.db2.gz OOIGBVGCTPCGFD-UHFFFAOYSA-N -1 3 392.401 0.096 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccon1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823201901 606632397 /nfs/dbraw/zinc/63/23/97/606632397.db2.gz OOIGBVGCTPCGFD-UHFFFAOYSA-N -1 3 392.401 0.096 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820286254 606635713 /nfs/dbraw/zinc/63/57/13/606635713.db2.gz ACHLLKGKJUHGOC-KOLCDFICSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820286254 606635714 /nfs/dbraw/zinc/63/57/14/606635714.db2.gz ACHLLKGKJUHGOC-KOLCDFICSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@@H](CC(N)=O)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000820231644 606639233 /nfs/dbraw/zinc/63/92/33/606639233.db2.gz CQAULOVEMXWOFB-LURJTMIESA-N -1 3 389.235 0.171 20 0 GCADHM C[C@@H](CC(N)=O)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000820231644 606639234 /nfs/dbraw/zinc/63/92/34/606639234.db2.gz CQAULOVEMXWOFB-LURJTMIESA-N -1 3 389.235 0.171 20 0 GCADHM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823525986 606639821 /nfs/dbraw/zinc/63/98/21/606639821.db2.gz XKFNDTIFQQKXQJ-BDAKNGLRSA-N -1 3 382.833 0.562 20 0 GCADHM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823525986 606639822 /nfs/dbraw/zinc/63/98/22/606639822.db2.gz XKFNDTIFQQKXQJ-BDAKNGLRSA-N -1 3 382.833 0.562 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000822441057 606641012 /nfs/dbraw/zinc/64/10/12/606641012.db2.gz RJCLXGQUCDEEJK-HNNXBMFYSA-N -1 3 382.428 0.834 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000822441057 606641013 /nfs/dbraw/zinc/64/10/13/606641013.db2.gz RJCLXGQUCDEEJK-HNNXBMFYSA-N -1 3 382.428 0.834 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CC(OCC(F)F)C1 ZINC000823303014 606641027 /nfs/dbraw/zinc/64/10/27/606641027.db2.gz CAXKBHVYCJQSBZ-UHFFFAOYSA-N -1 3 386.746 0.951 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CC(OCC(F)F)C1 ZINC000823303014 606641028 /nfs/dbraw/zinc/64/10/28/606641028.db2.gz CAXKBHVYCJQSBZ-UHFFFAOYSA-N -1 3 386.746 0.951 20 0 GCADHM COc1cc(NC(=O)Cn2nc(C)c(-c3nnn[n-]3)c2N)cc(OC)c1OC ZINC000821720507 606654590 /nfs/dbraw/zinc/65/45/90/606654590.db2.gz UENYZNIEKXOPPF-UHFFFAOYSA-N -1 3 388.388 0.618 20 0 GCADHM COc1cc(NC(=O)Cn2nc(C)c(-c3nn[n-]n3)c2N)cc(OC)c1OC ZINC000821720507 606654591 /nfs/dbraw/zinc/65/45/91/606654591.db2.gz UENYZNIEKXOPPF-UHFFFAOYSA-N -1 3 388.388 0.618 20 0 GCADHM COc1cc(C[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc(OC)c1 ZINC000821713399 606658422 /nfs/dbraw/zinc/65/84/22/606658422.db2.gz VZCSBLISNMVKAE-CYBMUJFWSA-N -1 3 398.423 0.860 20 0 GCADHM COc1cc(C[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc(OC)c1 ZINC000821713399 606658423 /nfs/dbraw/zinc/65/84/23/606658423.db2.gz VZCSBLISNMVKAE-CYBMUJFWSA-N -1 3 398.423 0.860 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000823246616 606659191 /nfs/dbraw/zinc/65/91/91/606659191.db2.gz XLEXNBKOAKFJPR-UHFFFAOYSA-N -1 3 376.327 0.583 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000823246616 606659192 /nfs/dbraw/zinc/65/91/92/606659192.db2.gz XLEXNBKOAKFJPR-UHFFFAOYSA-N -1 3 376.327 0.583 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821688642 606659289 /nfs/dbraw/zinc/65/92/89/606659289.db2.gz SZEIVOPTJVKHNO-GFCCVEGCSA-N -1 3 398.427 0.916 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821688642 606659290 /nfs/dbraw/zinc/65/92/90/606659290.db2.gz SZEIVOPTJVKHNO-GFCCVEGCSA-N -1 3 398.427 0.916 20 0 GCADHM COC(=O)[C@@H]1CN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C[C@@H]1C ZINC000821654998 606661315 /nfs/dbraw/zinc/66/13/15/606661315.db2.gz CCMBMQTYVNYPJA-GDLCADMTSA-N -1 3 384.396 0.240 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819922524 606668322 /nfs/dbraw/zinc/66/83/22/606668322.db2.gz KQNIFDATIKHDBG-UHFFFAOYSA-N -1 3 388.400 0.593 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819922524 606668323 /nfs/dbraw/zinc/66/83/23/606668323.db2.gz KQNIFDATIKHDBG-UHFFFAOYSA-N -1 3 388.400 0.593 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000822668713 606677354 /nfs/dbraw/zinc/67/73/54/606677354.db2.gz DQRRGLAXQFNMCS-UHFFFAOYSA-N -1 3 398.402 0.406 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820450477 606679047 /nfs/dbraw/zinc/67/90/47/606679047.db2.gz KXGOBKCCXXGNGF-MRVPVSSYSA-N -1 3 394.392 0.045 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820450477 606679048 /nfs/dbraw/zinc/67/90/48/606679048.db2.gz KXGOBKCCXXGNGF-MRVPVSSYSA-N -1 3 394.392 0.045 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000823459988 606682062 /nfs/dbraw/zinc/68/20/62/606682062.db2.gz FJDBTDSBKYNAIA-KBPBESRZSA-N -1 3 378.383 0.816 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000823459988 606682063 /nfs/dbraw/zinc/68/20/63/606682063.db2.gz FJDBTDSBKYNAIA-KBPBESRZSA-N -1 3 378.383 0.816 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822894534 606682248 /nfs/dbraw/zinc/68/22/48/606682248.db2.gz AAKNZKJLMMPIKG-QMMMGPOBSA-N -1 3 386.384 0.286 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822894534 606682249 /nfs/dbraw/zinc/68/22/49/606682249.db2.gz AAKNZKJLMMPIKG-QMMMGPOBSA-N -1 3 386.384 0.286 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821636230 606683187 /nfs/dbraw/zinc/68/31/87/606683187.db2.gz KKDXMNHXLCOZQZ-UHFFFAOYSA-N -1 3 386.384 0.299 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821636230 606683188 /nfs/dbraw/zinc/68/31/88/606683188.db2.gz KKDXMNHXLCOZQZ-UHFFFAOYSA-N -1 3 386.384 0.299 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821636261 606685242 /nfs/dbraw/zinc/68/52/42/606685242.db2.gz LTMCPJOHQICCNV-SECBINFHSA-N -1 3 386.384 0.299 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821636261 606685243 /nfs/dbraw/zinc/68/52/43/606685243.db2.gz LTMCPJOHQICCNV-SECBINFHSA-N -1 3 386.384 0.299 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822669814 606686996 /nfs/dbraw/zinc/68/69/96/606686996.db2.gz QQHVSOLASJKZAS-UHFFFAOYSA-N -1 3 394.439 0.703 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822669814 606686997 /nfs/dbraw/zinc/68/69/97/606686997.db2.gz QQHVSOLASJKZAS-UHFFFAOYSA-N -1 3 394.439 0.703 20 0 GCADHM O=C(NCC1(O)CCC2(CC1)OCCO2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823170507 606688449 /nfs/dbraw/zinc/68/84/49/606688449.db2.gz COSJBIAZXBYZLR-UHFFFAOYSA-N -1 3 395.366 0.923 20 0 GCADHM O=C(NCC1(O)CCC2(CC1)OCCO2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823170507 606688450 /nfs/dbraw/zinc/68/84/50/606688450.db2.gz COSJBIAZXBYZLR-UHFFFAOYSA-N -1 3 395.366 0.923 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C[C@H]1C ZINC000821655292 606690210 /nfs/dbraw/zinc/69/02/10/606690210.db2.gz ITUVZYSAWGZLHZ-PWSUYJOCSA-N -1 3 375.385 0.522 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C[C@H]1C ZINC000821655292 606690211 /nfs/dbraw/zinc/69/02/11/606690211.db2.gz ITUVZYSAWGZLHZ-PWSUYJOCSA-N -1 3 375.385 0.522 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000819857026 606691518 /nfs/dbraw/zinc/69/15/18/606691518.db2.gz ODLCZFOQQKPKJZ-CYBMUJFWSA-N -1 3 384.444 0.030 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000819857026 606691519 /nfs/dbraw/zinc/69/15/19/606691519.db2.gz ODLCZFOQQKPKJZ-CYBMUJFWSA-N -1 3 384.444 0.030 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819857365 606691530 /nfs/dbraw/zinc/69/15/30/606691530.db2.gz RRDSFNGEHNRCDV-CQSZACIVSA-N -1 3 383.456 0.635 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819857365 606691531 /nfs/dbraw/zinc/69/15/31/606691531.db2.gz RRDSFNGEHNRCDV-CQSZACIVSA-N -1 3 383.456 0.635 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[C@@H]1C ZINC000821656156 606694019 /nfs/dbraw/zinc/69/40/19/606694019.db2.gz YSEWELACVLKTMV-IINYFYTJSA-N -1 3 396.411 0.516 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C[C@@H]1C ZINC000821656156 606694020 /nfs/dbraw/zinc/69/40/20/606694020.db2.gz YSEWELACVLKTMV-IINYFYTJSA-N -1 3 396.411 0.516 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[C@@H]1C ZINC000821656155 606694117 /nfs/dbraw/zinc/69/41/17/606694117.db2.gz YSEWELACVLKTMV-HZMBPMFUSA-N -1 3 396.411 0.516 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C[C@@H]1C ZINC000821656155 606694118 /nfs/dbraw/zinc/69/41/18/606694118.db2.gz YSEWELACVLKTMV-HZMBPMFUSA-N -1 3 396.411 0.516 20 0 GCADHM Cc1oc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1S(N)(=O)=O ZINC000822540983 606694290 /nfs/dbraw/zinc/69/42/90/606694290.db2.gz JJYHZKJALQWSHI-UHFFFAOYSA-N -1 3 392.397 0.224 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC(=O)Nc1cccnc1Cl ZINC000821600202 606699797 /nfs/dbraw/zinc/69/97/97/606699797.db2.gz BUPKRQHTOPRKAX-UHFFFAOYSA-N -1 3 390.839 0.724 20 0 GCADHM COCC[C@H](C)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821685720 606702569 /nfs/dbraw/zinc/70/25/69/606702569.db2.gz NOXLRLILCCWROR-ZDUSSCGKSA-N -1 3 380.474 0.598 20 0 GCADHM COCC[C@H](C)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821685720 606702571 /nfs/dbraw/zinc/70/25/71/606702571.db2.gz NOXLRLILCCWROR-ZDUSSCGKSA-N -1 3 380.474 0.598 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(CC[S@@](C)=O)CC1 ZINC000821652146 606707571 /nfs/dbraw/zinc/70/75/71/606707571.db2.gz MVDOPOSUWFICKU-YVORESIASA-N -1 3 392.485 0.077 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(CC[S@@](C)=O)CC1 ZINC000821652146 606707573 /nfs/dbraw/zinc/70/75/73/606707573.db2.gz MVDOPOSUWFICKU-YVORESIASA-N -1 3 392.485 0.077 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2N[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000821696373 606716568 /nfs/dbraw/zinc/71/65/68/606716568.db2.gz ANDSMOFTBLLUIG-HIFRSBDPSA-N -1 3 398.427 0.943 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2N[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000821696373 606716569 /nfs/dbraw/zinc/71/65/69/606716569.db2.gz ANDSMOFTBLLUIG-HIFRSBDPSA-N -1 3 398.427 0.943 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000821696374 606716974 /nfs/dbraw/zinc/71/69/74/606716974.db2.gz ANDSMOFTBLLUIG-UKRRQHHQSA-N -1 3 398.427 0.943 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000821696374 606716975 /nfs/dbraw/zinc/71/69/75/606716975.db2.gz ANDSMOFTBLLUIG-UKRRQHHQSA-N -1 3 398.427 0.943 20 0 GCADHM COc1ccsc1S(=O)(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000821911458 606733150 /nfs/dbraw/zinc/73/31/50/606733150.db2.gz TVWKCULXFCWJPF-UHFFFAOYSA-N -1 3 381.443 0.722 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)N1CCCCC1 ZINC000823161551 606734599 /nfs/dbraw/zinc/73/45/99/606734599.db2.gz OBRHCNHDHJNVSM-UHFFFAOYSA-N -1 3 391.819 0.587 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)N1CCCCC1 ZINC000823161551 606734602 /nfs/dbraw/zinc/73/46/02/606734602.db2.gz OBRHCNHDHJNVSM-UHFFFAOYSA-N -1 3 391.819 0.587 20 0 GCADHM CCOC(=O)[C@H](C)N(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821313493 606734852 /nfs/dbraw/zinc/73/48/52/606734852.db2.gz GPHDEDCIJFXNBJ-ZETCQYMHSA-N -1 3 375.357 0.717 20 0 GCADHM CCOC(=O)[C@H](C)N(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821313493 606734854 /nfs/dbraw/zinc/73/48/54/606734854.db2.gz GPHDEDCIJFXNBJ-ZETCQYMHSA-N -1 3 375.357 0.717 20 0 GCADHM NC(=O)c1cccc(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)c1 ZINC000822889943 606735034 /nfs/dbraw/zinc/73/50/34/606735034.db2.gz IQFNMRSUEDFBHC-UHFFFAOYSA-N -1 3 399.798 0.874 20 0 GCADHM NC(=O)c1cccc(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)c1 ZINC000822889943 606735036 /nfs/dbraw/zinc/73/50/36/606735036.db2.gz IQFNMRSUEDFBHC-UHFFFAOYSA-N -1 3 399.798 0.874 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821671398 606736450 /nfs/dbraw/zinc/73/64/50/606736450.db2.gz USXUINWALZJEFI-UHFFFAOYSA-N -1 3 394.438 0.931 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821671398 606736452 /nfs/dbraw/zinc/73/64/52/606736452.db2.gz USXUINWALZJEFI-UHFFFAOYSA-N -1 3 394.438 0.931 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820813519 606737685 /nfs/dbraw/zinc/73/76/85/606737685.db2.gz JCPPCHHUXPAJCA-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820813519 606737686 /nfs/dbraw/zinc/73/76/86/606737686.db2.gz JCPPCHHUXPAJCA-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CCO1 ZINC000820758613 606738023 /nfs/dbraw/zinc/73/80/23/606738023.db2.gz AGKCMPQFOHEJBC-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CCO1 ZINC000820758613 606738025 /nfs/dbraw/zinc/73/80/25/606738025.db2.gz AGKCMPQFOHEJBC-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)C[C@H]21 ZINC000821628177 606738095 /nfs/dbraw/zinc/73/80/95/606738095.db2.gz CBALQMLAXSWTGN-CHWSQXEVSA-N -1 3 384.849 0.224 20 0 GCADHM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(Cl)c3)C[C@H]21 ZINC000821628177 606738097 /nfs/dbraw/zinc/73/80/97/606738097.db2.gz CBALQMLAXSWTGN-CHWSQXEVSA-N -1 3 384.849 0.224 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCN(C2CC2)CC1 ZINC000823289289 606738679 /nfs/dbraw/zinc/73/86/79/606738679.db2.gz HPQQOXVYDOEGOW-UHFFFAOYSA-N -1 3 375.820 0.765 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCN(C2CC2)CC1 ZINC000823289289 606738681 /nfs/dbraw/zinc/73/86/81/606738681.db2.gz HPQQOXVYDOEGOW-UHFFFAOYSA-N -1 3 375.820 0.765 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000822222253 606738692 /nfs/dbraw/zinc/73/86/92/606738692.db2.gz ABVHGINUZMVNSU-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000822222253 606738694 /nfs/dbraw/zinc/73/86/94/606738694.db2.gz ABVHGINUZMVNSU-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM Cn1cc([C@]2(C)CN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674603 606739553 /nfs/dbraw/zinc/73/95/53/606739553.db2.gz XWDOGEUEFAARLS-INIZCTEOSA-N -1 3 389.441 0.537 20 0 GCADHM Cn1cc([C@]2(C)CN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674603 606739555 /nfs/dbraw/zinc/73/95/55/606739555.db2.gz XWDOGEUEFAARLS-INIZCTEOSA-N -1 3 389.441 0.537 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)NC(C)(C)C ZINC000820313293 606742585 /nfs/dbraw/zinc/74/25/85/606742585.db2.gz COOFOVMROSSQJT-QMMMGPOBSA-N -1 3 393.835 0.878 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)NC(C)(C)C ZINC000820313293 606742586 /nfs/dbraw/zinc/74/25/86/606742586.db2.gz COOFOVMROSSQJT-QMMMGPOBSA-N -1 3 393.835 0.878 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820288427 606742650 /nfs/dbraw/zinc/74/26/50/606742650.db2.gz VEDPJIUILHYQGF-KOLCDFICSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820288427 606742652 /nfs/dbraw/zinc/74/26/52/606742652.db2.gz VEDPJIUILHYQGF-KOLCDFICSA-N -1 3 394.819 0.769 20 0 GCADHM CN1CCC[C@H](NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1=O ZINC000821623967 606743240 /nfs/dbraw/zinc/74/32/40/606743240.db2.gz WKHVBGDKZOLPGG-JTQLQIEISA-N -1 3 377.792 0.196 20 0 GCADHM CN1CCC[C@H](NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1=O ZINC000821623967 606743241 /nfs/dbraw/zinc/74/32/41/606743241.db2.gz WKHVBGDKZOLPGG-JTQLQIEISA-N -1 3 377.792 0.196 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000822858359 606743396 /nfs/dbraw/zinc/74/33/96/606743396.db2.gz AMOIHLCWARPZGI-UHFFFAOYSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000822858359 606743398 /nfs/dbraw/zinc/74/33/98/606743398.db2.gz AMOIHLCWARPZGI-UHFFFAOYSA-N -1 3 391.819 0.619 20 0 GCADHM CC[C@H](CCO)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820901329 606743897 /nfs/dbraw/zinc/74/38/97/606743897.db2.gz BFAYNQNGCIVSOD-SECBINFHSA-N -1 3 398.370 0.931 20 0 GCADHM CC[C@H](CCO)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820901329 606743899 /nfs/dbraw/zinc/74/38/99/606743899.db2.gz BFAYNQNGCIVSOD-SECBINFHSA-N -1 3 398.370 0.931 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821508780 606744599 /nfs/dbraw/zinc/74/45/99/606744599.db2.gz AWDSRWAZGOIIBM-LBPRGKRZSA-N -1 3 392.420 0.973 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821508780 606744601 /nfs/dbraw/zinc/74/46/01/606744601.db2.gz AWDSRWAZGOIIBM-LBPRGKRZSA-N -1 3 392.420 0.973 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](CC)CCO ZINC000821400434 606744839 /nfs/dbraw/zinc/74/48/39/606744839.db2.gz JQCYGIGKDNWSCL-NSHDSACASA-N -1 3 376.417 0.729 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](CC)CCO ZINC000821400434 606744841 /nfs/dbraw/zinc/74/48/41/606744841.db2.gz 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COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCCO[C@H]1CCOC1 ZINC000821700683 606811374 /nfs/dbraw/zinc/81/13/74/606811374.db2.gz UUZDSHMOGCHMHI-ZDUSSCGKSA-N -1 3 377.401 0.566 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCCO[C@H]1CCOC1 ZINC000821700683 606811376 /nfs/dbraw/zinc/81/13/76/606811376.db2.gz UUZDSHMOGCHMHI-ZDUSSCGKSA-N -1 3 377.401 0.566 20 0 GCADHM O=C(N[C@H]1CC[S@](=O)C1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823155235 606812060 /nfs/dbraw/zinc/81/20/60/606812060.db2.gz PQOAQWNCYHWCLL-CEXHIMGSSA-N -1 3 390.469 0.941 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000822899884 606814087 /nfs/dbraw/zinc/81/40/87/606814087.db2.gz XFHKCIRJPZRCAU-GOSISDBHSA-N -1 3 380.412 0.887 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000822899884 606814089 /nfs/dbraw/zinc/81/40/89/606814089.db2.gz XFHKCIRJPZRCAU-GOSISDBHSA-N -1 3 380.412 0.887 20 0 GCADHM Cc1c(C)n(Cc2ccco2)c(NC(=O)CNC2(C(N)=O)CC2)c1-c1nnn[n-]1 ZINC000822016374 606814159 /nfs/dbraw/zinc/81/41/59/606814159.db2.gz ZADDESUWMSNXSO-UHFFFAOYSA-N -1 3 398.427 0.472 20 0 GCADHM Cc1c(C)n(Cc2ccco2)c(NC(=O)CNC2(C(N)=O)CC2)c1-c1nn[n-]n1 ZINC000822016374 606814161 /nfs/dbraw/zinc/81/41/61/606814161.db2.gz ZADDESUWMSNXSO-UHFFFAOYSA-N -1 3 398.427 0.472 20 0 GCADHM O=C(NC[C@H]1CSCCS1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823181677 606816013 /nfs/dbraw/zinc/81/60/13/606816013.db2.gz CPPYGMAZNLDGTD-VIFPVBQESA-N -1 3 382.446 0.909 20 0 GCADHM O=C(NC[C@H]1CSCCS1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823181677 606816015 /nfs/dbraw/zinc/81/60/15/606816015.db2.gz CPPYGMAZNLDGTD-VIFPVBQESA-N -1 3 382.446 0.909 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1ccn2ccnc2c1 ZINC000821755252 606817468 /nfs/dbraw/zinc/81/74/68/606817468.db2.gz CIKOLORAJPWKSI-UHFFFAOYSA-N -1 3 392.379 0.778 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000820541538 606817716 /nfs/dbraw/zinc/81/77/16/606817716.db2.gz GRIDEZNWXHNTEV-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000820541538 606817718 /nfs/dbraw/zinc/81/77/18/606817718.db2.gz GRIDEZNWXHNTEV-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823359301 606817707 /nfs/dbraw/zinc/81/77/07/606817707.db2.gz LNUSWXAJRAAVTG-HNNXBMFYSA-N -1 3 397.439 0.713 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823359301 606817709 /nfs/dbraw/zinc/81/77/09/606817709.db2.gz LNUSWXAJRAAVTG-HNNXBMFYSA-N -1 3 397.439 0.713 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821933293 606818793 /nfs/dbraw/zinc/81/87/93/606818793.db2.gz ZPJUOPWYEFGLRF-KGLIPLIRSA-N -1 3 378.458 0.243 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821933293 606818794 /nfs/dbraw/zinc/81/87/94/606818794.db2.gz ZPJUOPWYEFGLRF-KGLIPLIRSA-N -1 3 378.458 0.243 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821933182 606819119 /nfs/dbraw/zinc/81/91/19/606819119.db2.gz WNELESGTZAOCTE-GXTWGEPZSA-N -1 3 394.457 0.080 20 0 GCADHM O=C(NC[C@@]1(CCO)CCOC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823166419 606819392 /nfs/dbraw/zinc/81/93/92/606819392.db2.gz KWIKVJSFNKSULD-VQIMIIECSA-N -1 3 386.456 0.741 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000819803866 606824607 /nfs/dbraw/zinc/82/46/07/606824607.db2.gz QPUGTXFQYXDXDA-MRXNPFEDSA-N -1 3 394.439 0.857 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000819803866 606824609 /nfs/dbraw/zinc/82/46/09/606824609.db2.gz QPUGTXFQYXDXDA-MRXNPFEDSA-N -1 3 394.439 0.857 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000821412512 606826980 /nfs/dbraw/zinc/82/69/80/606826980.db2.gz NDWYWZQXIXSBCS-CQSZACIVSA-N -1 3 387.444 0.804 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000821412512 606826983 /nfs/dbraw/zinc/82/69/83/606826983.db2.gz NDWYWZQXIXSBCS-CQSZACIVSA-N -1 3 387.444 0.804 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NCC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000821766041 606828852 /nfs/dbraw/zinc/82/88/52/606828852.db2.gz QCIPNYALZWYPIT-GFCCVEGCSA-N -1 3 387.444 0.804 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000821766041 606828853 /nfs/dbraw/zinc/82/88/53/606828853.db2.gz QCIPNYALZWYPIT-GFCCVEGCSA-N -1 3 387.444 0.804 20 0 GCADHM CC(C)(C)C(=O)Cn1cc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)nn1 ZINC000819891949 606831132 /nfs/dbraw/zinc/83/11/32/606831132.db2.gz NCRANKKZRQUJEI-UHFFFAOYSA-N -1 3 399.415 0.737 20 0 GCADHM CC(C)(C)C(=O)Cn1cc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)nn1 ZINC000819891949 606831134 /nfs/dbraw/zinc/83/11/34/606831134.db2.gz NCRANKKZRQUJEI-UHFFFAOYSA-N -1 3 399.415 0.737 20 0 GCADHM C[C@@H](OC(=O)Cn1cc([C@H](C)O)nn1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820501756 606831583 /nfs/dbraw/zinc/83/15/83/606831583.db2.gz KSWYBESKZIAVNU-VHSXEESVSA-N -1 3 386.372 0.082 20 0 GCADHM C[C@@H](OC(=O)Cn1cc([C@H](C)O)nn1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820501756 606831584 /nfs/dbraw/zinc/83/15/84/606831584.db2.gz KSWYBESKZIAVNU-VHSXEESVSA-N -1 3 386.372 0.082 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)nn1 ZINC000820481302 606834423 /nfs/dbraw/zinc/83/44/23/606834423.db2.gz UPOLAOYNUFKVIY-GFCCVEGCSA-N -1 3 398.427 0.582 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)nn1 ZINC000820481302 606834426 /nfs/dbraw/zinc/83/44/26/606834426.db2.gz UPOLAOYNUFKVIY-GFCCVEGCSA-N -1 3 398.427 0.582 20 0 GCADHM CCn1cc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000821565416 606837971 /nfs/dbraw/zinc/83/79/71/606837971.db2.gz RPVFFCIUVYVSKO-UHFFFAOYSA-N -1 3 395.427 0.370 20 0 GCADHM CCn1cc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000821565416 606837972 /nfs/dbraw/zinc/83/79/72/606837972.db2.gz RPVFFCIUVYVSKO-UHFFFAOYSA-N -1 3 395.427 0.370 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1-c1nnn[n-]1 ZINC000822312143 606838263 /nfs/dbraw/zinc/83/82/63/606838263.db2.gz BCRXUWSVAIPEQV-KBPBESRZSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC000822312143 606838265 /nfs/dbraw/zinc/83/82/65/606838265.db2.gz BCRXUWSVAIPEQV-KBPBESRZSA-N -1 3 386.412 0.520 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)C(=O)OC ZINC000821401281 606839910 /nfs/dbraw/zinc/83/99/10/606839910.db2.gz UUWADPFAAHYZKJ-UHFFFAOYSA-N -1 3 390.400 0.519 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)C(=O)OC ZINC000821401281 606839912 /nfs/dbraw/zinc/83/99/12/606839912.db2.gz UUWADPFAAHYZKJ-UHFFFAOYSA-N -1 3 390.400 0.519 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822869598 606840077 /nfs/dbraw/zinc/84/00/77/606840077.db2.gz ZFYJHRRWMGORKK-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822869598 606840078 /nfs/dbraw/zinc/84/00/78/606840078.db2.gz ZFYJHRRWMGORKK-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM CCCNC(=O)CN(CCC)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821113648 606842244 /nfs/dbraw/zinc/84/22/44/606842244.db2.gz BCRHMQHWBHCYHZ-UHFFFAOYSA-N -1 3 384.437 0.933 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000821654103 606844003 /nfs/dbraw/zinc/84/40/03/606844003.db2.gz UDLBSYHPJXJFPN-LBPRGKRZSA-N -1 3 395.416 0.970 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000822222386 606846885 /nfs/dbraw/zinc/84/68/85/606846885.db2.gz FIVJYEZFFFDLPB-UONOGXRCSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000822222386 606846887 /nfs/dbraw/zinc/84/68/87/606846887.db2.gz FIVJYEZFFFDLPB-UONOGXRCSA-N -1 3 379.442 0.744 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823601222 606847329 /nfs/dbraw/zinc/84/73/29/606847329.db2.gz WZRUEWILXKCNFT-KBPBESRZSA-N -1 3 383.405 0.574 20 0 GCADHM NC(=O)c1ccc(C(F)(F)F)n(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000822879581 606851287 /nfs/dbraw/zinc/85/12/87/606851287.db2.gz DGKLFBLOVRZRGB-NSHDSACASA-N -1 3 394.313 0.880 20 0 GCADHM NC(=O)c1ccc(C(F)(F)F)n(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000822879581 606851288 /nfs/dbraw/zinc/85/12/88/606851288.db2.gz DGKLFBLOVRZRGB-NSHDSACASA-N -1 3 394.313 0.880 20 0 GCADHM CC(C)COC[C@@H](O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820103450 606853061 /nfs/dbraw/zinc/85/30/61/606853061.db2.gz ZZYAJSCQACNYBF-KGLIPLIRSA-N -1 3 376.465 0.201 20 0 GCADHM CCOC(=O)[C@@H](C)N(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821315690 606856924 /nfs/dbraw/zinc/85/69/24/606856924.db2.gz VILZCBIXHQKJRR-SNVBAGLBSA-N -1 3 384.400 0.658 20 0 GCADHM CCOC(=O)[C@@H](C)N(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821315690 606856925 /nfs/dbraw/zinc/85/69/25/606856925.db2.gz VILZCBIXHQKJRR-SNVBAGLBSA-N -1 3 384.400 0.658 20 0 GCADHM Cn1cc(CN2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000822679863 606858864 /nfs/dbraw/zinc/85/88/64/606858864.db2.gz JQHSQMQYYGCSTH-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM Cn1cc(CN2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000822679863 606858865 /nfs/dbraw/zinc/85/88/65/606858865.db2.gz JQHSQMQYYGCSTH-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000819923411 606861413 /nfs/dbraw/zinc/86/14/13/606861413.db2.gz ZYXVSMOBPPNBSQ-LSDHHAIUSA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000819923411 606861415 /nfs/dbraw/zinc/86/14/15/606861415.db2.gz ZYXVSMOBPPNBSQ-LSDHHAIUSA-N -1 3 375.429 0.943 20 0 GCADHM Cc1nnc(CN2CCN(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1C ZINC000822509629 606861603 /nfs/dbraw/zinc/86/16/03/606861603.db2.gz BUAJTGCEMZSUTR-MRXNPFEDSA-N -1 3 383.460 0.155 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CCN2C1=O ZINC000821242413 606862609 /nfs/dbraw/zinc/86/26/09/606862609.db2.gz SQAJXPNSLFSMIC-ZDUSSCGKSA-N -1 3 384.400 0.045 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CCN2C1=O ZINC000821242413 606862610 /nfs/dbraw/zinc/86/26/10/606862610.db2.gz SQAJXPNSLFSMIC-ZDUSSCGKSA-N -1 3 384.400 0.045 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)CCN2C1=O ZINC000821240790 606864419 /nfs/dbraw/zinc/86/44/19/606864419.db2.gz JDZWHJHIZWEFIH-BXUZGUMPSA-N -1 3 398.427 0.606 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)CCN2C1=O ZINC000821240790 606864421 /nfs/dbraw/zinc/86/44/21/606864421.db2.gz JDZWHJHIZWEFIH-BXUZGUMPSA-N -1 3 398.427 0.606 20 0 GCADHM NC(=O)[C@@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822851535 606869384 /nfs/dbraw/zinc/86/93/84/606869384.db2.gz YMIRSKFXXJUVLI-LBPRGKRZSA-N -1 3 380.334 0.942 20 0 GCADHM NC(=O)[C@@H](NCc1cnn(CC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822851535 606869386 /nfs/dbraw/zinc/86/93/86/606869386.db2.gz YMIRSKFXXJUVLI-LBPRGKRZSA-N -1 3 380.334 0.942 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)CCN2C1=O ZINC000821241240 606871305 /nfs/dbraw/zinc/87/13/05/606871305.db2.gz LAHVLQRXEBNOOD-BXUZGUMPSA-N -1 3 398.427 0.606 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)CCN2C1=O ZINC000821241240 606871306 /nfs/dbraw/zinc/87/13/06/606871306.db2.gz LAHVLQRXEBNOOD-BXUZGUMPSA-N -1 3 398.427 0.606 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCc1ccc2c(c1)CCS2(=O)=O ZINC000823037322 606871371 /nfs/dbraw/zinc/87/13/71/606871371.db2.gz USPQRXLRECFQQT-UHFFFAOYSA-N -1 3 399.432 0.892 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC000819796138 606872734 /nfs/dbraw/zinc/87/27/34/606872734.db2.gz DAJHAUAEBZRVTL-QMMMGPOBSA-N -1 3 386.384 0.386 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC000819796138 606872735 /nfs/dbraw/zinc/87/27/35/606872735.db2.gz DAJHAUAEBZRVTL-QMMMGPOBSA-N -1 3 386.384 0.386 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823572612 606874151 /nfs/dbraw/zinc/87/41/51/606874151.db2.gz JLIDTWURKOREHT-JKSUJKDBSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823572612 606874152 /nfs/dbraw/zinc/87/41/52/606874152.db2.gz JLIDTWURKOREHT-JKSUJKDBSA-N -1 3 392.485 0.788 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696874 606876172 /nfs/dbraw/zinc/87/61/72/606876172.db2.gz SIUAECLWASJZPA-CQSZACIVSA-N -1 3 397.443 0.761 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N(C)Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696874 606876173 /nfs/dbraw/zinc/87/61/73/606876173.db2.gz SIUAECLWASJZPA-CQSZACIVSA-N -1 3 397.443 0.761 20 0 GCADHM C[C@H]1C[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CN1Cc1ccccc1 ZINC000820668808 606876684 /nfs/dbraw/zinc/87/66/84/606876684.db2.gz WVINWYOUPOWKPZ-GXTWGEPZSA-N -1 3 396.455 0.339 20 0 GCADHM O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nnn[n-]3)CCN12 ZINC000823551343 606879150 /nfs/dbraw/zinc/87/91/50/606879150.db2.gz NKWLJPJTRJMTHC-SECBINFHSA-N -1 3 384.805 0.345 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821690963 606884836 /nfs/dbraw/zinc/88/48/36/606884836.db2.gz CPSQNRFIYJRDSQ-UHFFFAOYSA-N -1 3 388.400 0.098 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821690963 606884838 /nfs/dbraw/zinc/88/48/38/606884838.db2.gz CPSQNRFIYJRDSQ-UHFFFAOYSA-N -1 3 388.400 0.098 20 0 GCADHM O=C([C@H]1CCCO1)N1CCN(CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822917327 606885750 /nfs/dbraw/zinc/88/57/50/606885750.db2.gz SOKWBHYWJQSIDO-QGZVFWFLSA-N -1 3 386.456 0.959 20 0 GCADHM O=C([C@H]1CCCO1)N1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822917327 606885751 /nfs/dbraw/zinc/88/57/51/606885751.db2.gz SOKWBHYWJQSIDO-QGZVFWFLSA-N -1 3 386.456 0.959 20 0 GCADHM COC(=O)N1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821664853 606886559 /nfs/dbraw/zinc/88/65/59/606886559.db2.gz LKJLUIWNUCFCOD-UHFFFAOYSA-N -1 3 388.356 0.218 20 0 GCADHM COC(=O)N1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821664853 606886560 /nfs/dbraw/zinc/88/65/60/606886560.db2.gz LKJLUIWNUCFCOD-UHFFFAOYSA-N -1 3 388.356 0.218 20 0 GCADHM NC(=O)CC1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000822864768 606886991 /nfs/dbraw/zinc/88/69/91/606886991.db2.gz KUHFUNUQTBKEDB-UHFFFAOYSA-N -1 3 386.384 0.421 20 0 GCADHM NC(=O)CC1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000822864768 606886993 /nfs/dbraw/zinc/88/69/93/606886993.db2.gz KUHFUNUQTBKEDB-UHFFFAOYSA-N -1 3 386.384 0.421 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820037326 606889518 /nfs/dbraw/zinc/88/95/18/606889518.db2.gz CIPNJDLBLOHOCK-LLVKDONJSA-N -1 3 386.384 0.290 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820037326 606889519 /nfs/dbraw/zinc/88/95/19/606889519.db2.gz CIPNJDLBLOHOCK-LLVKDONJSA-N -1 3 386.384 0.290 20 0 GCADHM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822864967 606894355 /nfs/dbraw/zinc/89/43/55/606894355.db2.gz QVUFDKBNBCWJMX-QMMMGPOBSA-N -1 3 386.384 0.421 20 0 GCADHM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822864967 606894356 /nfs/dbraw/zinc/89/43/56/606894356.db2.gz QVUFDKBNBCWJMX-QMMMGPOBSA-N -1 3 386.384 0.421 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC000821657895 606895459 /nfs/dbraw/zinc/89/54/59/606895459.db2.gz YKYBJQABFVWTMH-IONNQARKSA-N -1 3 387.368 0.575 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC000821657895 606895461 /nfs/dbraw/zinc/89/54/61/606895461.db2.gz YKYBJQABFVWTMH-IONNQARKSA-N -1 3 387.368 0.575 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000822224130 606898026 /nfs/dbraw/zinc/89/80/26/606898026.db2.gz XFYMZFCMXCIMBD-CHWSQXEVSA-N -1 3 378.458 0.888 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000822224130 606898029 /nfs/dbraw/zinc/89/80/29/606898029.db2.gz XFYMZFCMXCIMBD-CHWSQXEVSA-N -1 3 378.458 0.888 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000821696908 606904342 /nfs/dbraw/zinc/90/43/42/606904342.db2.gz UBWZVTOEMQZJBG-XURPKSDJSA-N -1 3 380.412 0.749 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696908 606904344 /nfs/dbraw/zinc/90/43/44/606904344.db2.gz UBWZVTOEMQZJBG-XURPKSDJSA-N -1 3 380.412 0.749 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)CC2 ZINC000821696468 606904533 /nfs/dbraw/zinc/90/45/33/606904533.db2.gz DMUGTWPUJWPLAN-RYUDHWBXSA-N -1 3 398.427 0.503 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696468 606904535 /nfs/dbraw/zinc/90/45/35/606904535.db2.gz DMUGTWPUJWPLAN-RYUDHWBXSA-N -1 3 398.427 0.503 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000821696906 606904814 /nfs/dbraw/zinc/90/48/14/606904814.db2.gz UBWZVTOEMQZJBG-OYVUYXNMSA-N -1 3 380.412 0.749 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696906 606904816 /nfs/dbraw/zinc/90/48/16/606904816.db2.gz UBWZVTOEMQZJBG-OYVUYXNMSA-N -1 3 380.412 0.749 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCN2C(=O)NC[C@@H]2C1 ZINC000823299400 606906749 /nfs/dbraw/zinc/90/67/49/606906749.db2.gz VSGDAMIMXUXWNL-SECBINFHSA-N -1 3 394.342 0.709 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCN2C(=O)NC[C@@H]2C1 ZINC000823299400 606906750 /nfs/dbraw/zinc/90/67/50/606906750.db2.gz VSGDAMIMXUXWNL-SECBINFHSA-N -1 3 394.342 0.709 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000821696828 606906781 /nfs/dbraw/zinc/90/67/81/606906781.db2.gz QXLTUOYXLRFUOD-SNVBAGLBSA-N -1 3 387.379 0.880 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000821696828 606906782 /nfs/dbraw/zinc/90/67/82/606906782.db2.gz QXLTUOYXLRFUOD-SNVBAGLBSA-N -1 3 387.379 0.880 20 0 GCADHM CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821523580 606909117 /nfs/dbraw/zinc/90/91/17/606909117.db2.gz YLAYLQLNOGKRQB-AWEZNQCLSA-N -1 3 386.460 0.609 20 0 GCADHM CCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821523580 606909118 /nfs/dbraw/zinc/90/91/18/606909118.db2.gz YLAYLQLNOGKRQB-AWEZNQCLSA-N -1 3 386.460 0.609 20 0 GCADHM CCc1nnc(NCCCn2nc3n(c2=O)CCCC3)c(-c2nnn[n-]2)c1CC ZINC000821536351 606911173 /nfs/dbraw/zinc/91/11/73/606911173.db2.gz UDTNAEGDAWULOM-UHFFFAOYSA-N -1 3 398.475 0.978 20 0 GCADHM CCc1nnc(NCCCn2nc3n(c2=O)CCCC3)c(-c2nn[n-]n2)c1CC ZINC000821536351 606911175 /nfs/dbraw/zinc/91/11/75/606911175.db2.gz UDTNAEGDAWULOM-UHFFFAOYSA-N -1 3 398.475 0.978 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)c1ccc2nnnn2c1 ZINC000823382956 606911898 /nfs/dbraw/zinc/91/18/98/606911898.db2.gz HSEGNHVOLKJHGP-UHFFFAOYSA-N -1 3 388.355 0.197 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822873529 606913379 /nfs/dbraw/zinc/91/33/79/606913379.db2.gz FBUGKXFHFIKJEV-UHFFFAOYSA-N -1 3 394.395 0.925 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCc1ccc2c(c1)CCS2(=O)=O ZINC000823009926 606913649 /nfs/dbraw/zinc/91/36/49/606913649.db2.gz YWLDQTXYAHEWQL-UHFFFAOYSA-N -1 3 398.448 0.925 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822859958 606914616 /nfs/dbraw/zinc/91/46/16/606914616.db2.gz KNIZEKFMFXURPN-ZIAGYGMSSA-N -1 3 385.428 0.147 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822859958 606914617 /nfs/dbraw/zinc/91/46/17/606914617.db2.gz KNIZEKFMFXURPN-ZIAGYGMSSA-N -1 3 385.428 0.147 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@H]1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822859957 606914810 /nfs/dbraw/zinc/91/48/10/606914810.db2.gz KNIZEKFMFXURPN-UONOGXRCSA-N -1 3 385.428 0.147 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@H]1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822859957 606914811 /nfs/dbraw/zinc/91/48/11/606914811.db2.gz KNIZEKFMFXURPN-UONOGXRCSA-N -1 3 385.428 0.147 20 0 GCADHM CS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1 ZINC000821932914 606918140 /nfs/dbraw/zinc/91/81/40/606918140.db2.gz UCNSCNWGLXBNOL-UHFFFAOYSA-N -1 3 376.364 0.967 20 0 GCADHM CS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)CC1 ZINC000821932914 606918141 /nfs/dbraw/zinc/91/81/41/606918141.db2.gz UCNSCNWGLXBNOL-UHFFFAOYSA-N -1 3 376.364 0.967 20 0 GCADHM CNC(=O)[C@@H]1CN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000821631657 606919351 /nfs/dbraw/zinc/91/93/51/606919351.db2.gz OYEJEUISARBWBM-WBVHZDCISA-N -1 3 380.408 0.914 20 0 GCADHM CNC(=O)[C@@H]1CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000821631657 606919353 /nfs/dbraw/zinc/91/93/53/606919353.db2.gz OYEJEUISARBWBM-WBVHZDCISA-N -1 3 380.408 0.914 20 0 GCADHM O=C(c1ccccn1)N1CCN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823493222 606919694 /nfs/dbraw/zinc/91/96/94/606919694.db2.gz ISHSVSOLSRQLCQ-QGZVFWFLSA-N -1 3 379.424 0.753 20 0 GCADHM O=C(c1ccccn1)N1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823493222 606919696 /nfs/dbraw/zinc/91/96/96/606919696.db2.gz ISHSVSOLSRQLCQ-QGZVFWFLSA-N -1 3 379.424 0.753 20 0 GCADHM CC(C)S(=O)(=O)CCCN(c1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000820178075 606923264 /nfs/dbraw/zinc/92/32/64/606923264.db2.gz GXXOLVVVOYZRSU-UHFFFAOYSA-N -1 3 387.487 0.846 20 0 GCADHM CC(C)S(=O)(=O)CCCN(c1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000820178075 606923265 /nfs/dbraw/zinc/92/32/65/606923265.db2.gz GXXOLVVVOYZRSU-UHFFFAOYSA-N -1 3 387.487 0.846 20 0 GCADHM COC(=O)C[C@H](C)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821657320 606924458 /nfs/dbraw/zinc/92/44/58/606924458.db2.gz LXUIJWKUAFDIAB-NSHDSACASA-N -1 3 376.392 0.854 20 0 GCADHM COC(=O)C[C@H](C)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821657320 606924460 /nfs/dbraw/zinc/92/44/60/606924460.db2.gz LXUIJWKUAFDIAB-NSHDSACASA-N -1 3 376.392 0.854 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735633154 606930961 /nfs/dbraw/zinc/93/09/61/606930961.db2.gz NINMSCKLZRVATM-ZIAGYGMSSA-N -1 3 387.444 0.992 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735633154 606930962 /nfs/dbraw/zinc/93/09/62/606930962.db2.gz NINMSCKLZRVATM-ZIAGYGMSSA-N -1 3 387.444 0.992 20 0 GCADHM CCOC[C@@H](O)CN1CCN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)CC1 ZINC000821367015 606932519 /nfs/dbraw/zinc/93/25/19/606932519.db2.gz AGANGNWYYFFENZ-ZDUSSCGKSA-N -1 3 390.492 0.301 20 0 GCADHM CC(=O)N1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)[C@H](C)C1 ZINC000819797241 606932958 /nfs/dbraw/zinc/93/29/58/606932958.db2.gz WVBBPHQPHHOZBE-LLVKDONJSA-N -1 3 395.427 0.327 20 0 GCADHM CC(=O)N1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)[C@H](C)C1 ZINC000819797241 606932960 /nfs/dbraw/zinc/93/29/60/606932960.db2.gz WVBBPHQPHHOZBE-LLVKDONJSA-N -1 3 395.427 0.327 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCCCC2=O)CC1 ZINC000822850521 606934445 /nfs/dbraw/zinc/93/44/45/606934445.db2.gz JDXBSLJQXGSSLM-KRWDZBQOSA-N -1 3 383.456 0.870 20 0 GCADHM Cc1sc(NC(=O)CN2CCN3C(=O)OC[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822558557 606935217 /nfs/dbraw/zinc/93/52/17/606935217.db2.gz RAIJCMBNMNOHNK-JTQLQIEISA-N -1 3 377.430 0.620 20 0 GCADHM Cc1sc(NC(=O)CN2CCN3C(=O)OC[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822558557 606935218 /nfs/dbraw/zinc/93/52/18/606935218.db2.gz RAIJCMBNMNOHNK-JTQLQIEISA-N -1 3 377.430 0.620 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)OC[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822542082 606935648 /nfs/dbraw/zinc/93/56/48/606935648.db2.gz URQMNFFKDKLBOJ-MWLCHTKSSA-N -1 3 375.389 0.540 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000822222506 606943329 /nfs/dbraw/zinc/94/33/29/606943329.db2.gz JNVBINVQFAMURJ-QWHCGFSZSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000822222506 606943330 /nfs/dbraw/zinc/94/33/30/606943330.db2.gz JNVBINVQFAMURJ-QWHCGFSZSA-N -1 3 376.442 0.607 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]2CCCC[C@@H]2N1 ZINC000823536006 606943761 /nfs/dbraw/zinc/94/37/61/606943761.db2.gz OTMFLYLXNGVSEV-KBPBESRZSA-N -1 3 376.442 0.440 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]2CCCC[C@@H]2N1 ZINC000823536006 606943762 /nfs/dbraw/zinc/94/37/62/606943762.db2.gz OTMFLYLXNGVSEV-KBPBESRZSA-N -1 3 376.442 0.440 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000821694560 606944343 /nfs/dbraw/zinc/94/43/43/606944343.db2.gz RXLUBKVBEDBDCL-UHFFFAOYSA-N -1 3 393.429 0.568 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000821694560 606944344 /nfs/dbraw/zinc/94/43/44/606944344.db2.gz RXLUBKVBEDBDCL-UHFFFAOYSA-N -1 3 393.429 0.568 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000821694160 606944437 /nfs/dbraw/zinc/94/44/37/606944437.db2.gz AFDYHORJUHLJEB-UHFFFAOYSA-N -1 3 393.429 0.568 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000821694160 606944438 /nfs/dbraw/zinc/94/44/38/606944438.db2.gz AFDYHORJUHLJEB-UHFFFAOYSA-N -1 3 393.429 0.568 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822492006 606945311 /nfs/dbraw/zinc/94/53/11/606945311.db2.gz NGUPNVDKZHCUNU-UHFFFAOYSA-N -1 3 396.455 0.945 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822492006 606945314 /nfs/dbraw/zinc/94/53/14/606945314.db2.gz NGUPNVDKZHCUNU-UHFFFAOYSA-N -1 3 396.455 0.945 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000823303501 606954841 /nfs/dbraw/zinc/95/48/41/606954841.db2.gz KNRHPGNXSPTTAM-SECBINFHSA-N -1 3 391.775 0.122 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000823303501 606954842 /nfs/dbraw/zinc/95/48/42/606954842.db2.gz KNRHPGNXSPTTAM-SECBINFHSA-N -1 3 391.775 0.122 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC000823613510 606960605 /nfs/dbraw/zinc/96/06/05/606960605.db2.gz KAWIHXDWYZBZDA-ZDUSSCGKSA-N -1 3 380.449 0.311 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)C1 ZINC000823613510 606960606 /nfs/dbraw/zinc/96/06/06/606960606.db2.gz KAWIHXDWYZBZDA-ZDUSSCGKSA-N -1 3 380.449 0.311 20 0 GCADHM CN(C)C(=O)Cn1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)nn1 ZINC000821578332 606961470 /nfs/dbraw/zinc/96/14/70/606961470.db2.gz YSGKHEXFBNMUDU-UHFFFAOYSA-N -1 3 389.807 0.476 20 0 GCADHM CN(C)C(=O)Cn1cc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)nn1 ZINC000821578332 606961472 /nfs/dbraw/zinc/96/14/72/606961472.db2.gz YSGKHEXFBNMUDU-UHFFFAOYSA-N -1 3 389.807 0.476 20 0 GCADHM NC(=O)c1ccc(N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)nc1 ZINC000822885339 606964971 /nfs/dbraw/zinc/96/49/71/606964971.db2.gz LEXMNDLMVBSREM-UHFFFAOYSA-N -1 3 382.403 0.822 20 0 GCADHM NC(=O)c1ccc(N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)nc1 ZINC000822885339 606964973 /nfs/dbraw/zinc/96/49/73/606964973.db2.gz LEXMNDLMVBSREM-UHFFFAOYSA-N -1 3 382.403 0.822 20 0 GCADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C(=O)N[C@@H](C)CO ZINC000822211560 606965299 /nfs/dbraw/zinc/96/52/99/606965299.db2.gz DWNLUQNAIIVBOK-NSHDSACASA-N -1 3 397.395 0.798 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCCCC1 ZINC000820438377 606974185 /nfs/dbraw/zinc/97/41/85/606974185.db2.gz NYQAVHBJACGOOD-LBPRGKRZSA-N -1 3 378.458 0.936 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCCC1 ZINC000820438377 606974188 /nfs/dbraw/zinc/97/41/88/606974188.db2.gz NYQAVHBJACGOOD-LBPRGKRZSA-N -1 3 378.458 0.936 20 0 GCADHM COCCc1noc(CN(C)CCOc2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC000821694569 606983693 /nfs/dbraw/zinc/98/36/93/606983693.db2.gz SJGJQJGAJVNSLU-UHFFFAOYSA-N -1 3 389.416 0.958 20 0 GCADHM COCCc1noc(CN(C)CCOc2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC000821694569 606983694 /nfs/dbraw/zinc/98/36/94/606983694.db2.gz SJGJQJGAJVNSLU-UHFFFAOYSA-N -1 3 389.416 0.958 20 0 GCADHM COCCc1noc(CN(C)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821694344 606983792 /nfs/dbraw/zinc/98/37/92/606983792.db2.gz JDEXAIKQERVRGX-CYBMUJFWSA-N -1 3 389.416 0.310 20 0 GCADHM COC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821679920 606987462 /nfs/dbraw/zinc/98/74/62/606987462.db2.gz RLJGMTKYJKXTKY-NSHDSACASA-N -1 3 394.457 0.171 20 0 GCADHM COC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821679920 606987463 /nfs/dbraw/zinc/98/74/63/606987463.db2.gz RLJGMTKYJKXTKY-NSHDSACASA-N -1 3 394.457 0.171 20 0 GCADHM COC(=O)[C@H](NCCS(=O)(=O)CC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821643054 606987795 /nfs/dbraw/zinc/98/77/95/606987795.db2.gz UYSPHCYEPGUROD-CQSZACIVSA-N -1 3 379.442 0.495 20 0 GCADHM COC(=O)[C@H](NCCS(=O)(=O)CC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821643054 606987796 /nfs/dbraw/zinc/98/77/96/606987796.db2.gz UYSPHCYEPGUROD-CQSZACIVSA-N -1 3 379.442 0.495 20 0 GCADHM COC(=O)[C@H](NCCS(=O)(=O)CC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642262 606987871 /nfs/dbraw/zinc/98/78/71/606987871.db2.gz GHCCBARAIFQLDT-CQSZACIVSA-N -1 3 379.442 0.495 20 0 GCADHM COC(=O)[C@H](NCCS(=O)(=O)CC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642262 606987872 /nfs/dbraw/zinc/98/78/72/606987872.db2.gz GHCCBARAIFQLDT-CQSZACIVSA-N -1 3 379.442 0.495 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CCCC1 ZINC000820451275 606993308 /nfs/dbraw/zinc/99/33/08/606993308.db2.gz UOLOUWVTCPXINK-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CCCC1 ZINC000820451275 606993310 /nfs/dbraw/zinc/99/33/10/606993310.db2.gz UOLOUWVTCPXINK-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821588523 606994836 /nfs/dbraw/zinc/99/48/36/606994836.db2.gz WXSXMRCPBRRXKB-UHFFFAOYSA-N -1 3 394.388 0.941 20 0 GCADHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821588523 606994837 /nfs/dbraw/zinc/99/48/37/606994837.db2.gz WXSXMRCPBRRXKB-UHFFFAOYSA-N -1 3 394.388 0.941 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nncs1 ZINC000820443945 606998196 /nfs/dbraw/zinc/99/81/96/606998196.db2.gz BOLFUXZBXFAVKS-SSDOTTSWSA-N -1 3 380.415 0.024 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nncs1 ZINC000820443945 606998197 /nfs/dbraw/zinc/99/81/97/606998197.db2.gz BOLFUXZBXFAVKS-SSDOTTSWSA-N -1 3 380.415 0.024 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nncs1 ZINC000820443946 606998349 /nfs/dbraw/zinc/99/83/49/606998349.db2.gz BOLFUXZBXFAVKS-ZETCQYMHSA-N -1 3 380.415 0.024 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nncs1 ZINC000820443946 606998351 /nfs/dbraw/zinc/99/83/51/606998351.db2.gz BOLFUXZBXFAVKS-ZETCQYMHSA-N -1 3 380.415 0.024 20 0 GCADHM Cc1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822394851 606998601 /nfs/dbraw/zinc/99/86/01/606998601.db2.gz JZGGLUOPYKFYQP-SECBINFHSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822394851 606998603 /nfs/dbraw/zinc/99/86/03/606998603.db2.gz JZGGLUOPYKFYQP-SECBINFHSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822414447 606998810 /nfs/dbraw/zinc/99/88/10/606998810.db2.gz FZDLDUNRWIOYTA-SNVBAGLBSA-N -1 3 390.429 0.512 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822414447 606998811 /nfs/dbraw/zinc/99/88/11/606998811.db2.gz FZDLDUNRWIOYTA-SNVBAGLBSA-N -1 3 390.429 0.512 20 0 GCADHM Cc1ccnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822374222 606998890 /nfs/dbraw/zinc/99/88/90/606998890.db2.gz MQNQSLKXPMYSIW-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822374222 606998891 /nfs/dbraw/zinc/99/88/91/606998891.db2.gz MQNQSLKXPMYSIW-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822324071 606998925 /nfs/dbraw/zinc/99/89/25/606998925.db2.gz UGKZKUVYLHPXCN-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822324071 606998926 /nfs/dbraw/zinc/99/89/26/606998926.db2.gz UGKZKUVYLHPXCN-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)CC(F)(F)F ZINC000820437607 607000311 /nfs/dbraw/zinc/00/03/11/607000311.db2.gz AJNPECMALJWHKE-MRVPVSSYSA-N -1 3 392.363 0.554 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CC(F)(F)F ZINC000820437607 607000313 /nfs/dbraw/zinc/00/03/13/607000313.db2.gz AJNPECMALJWHKE-MRVPVSSYSA-N -1 3 392.363 0.554 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CC(F)(F)F ZINC000820444857 607000366 /nfs/dbraw/zinc/00/03/66/607000366.db2.gz MTJHVAYFNIPVFT-MRVPVSSYSA-N -1 3 392.363 0.554 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CC(F)(F)F ZINC000820444857 607000369 /nfs/dbraw/zinc/00/03/69/607000369.db2.gz MTJHVAYFNIPVFT-MRVPVSSYSA-N -1 3 392.363 0.554 20 0 GCADHM Cc1occc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822553700 607001311 /nfs/dbraw/zinc/00/13/11/607001311.db2.gz PGBRWWQMERXERE-SNVBAGLBSA-N -1 3 390.425 0.751 20 0 GCADHM Cc1occc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822553700 607001312 /nfs/dbraw/zinc/00/13/12/607001312.db2.gz PGBRWWQMERXERE-SNVBAGLBSA-N -1 3 390.425 0.751 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C)CCCC1 ZINC000820444241 607002022 /nfs/dbraw/zinc/00/20/22/607002022.db2.gz HXTLQFJYEUSMSS-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C)CCCC1 ZINC000820444241 607002023 /nfs/dbraw/zinc/00/20/23/607002023.db2.gz HXTLQFJYEUSMSS-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM C[C@H]1OCCN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)[C@@H]1C ZINC000820819777 607002051 /nfs/dbraw/zinc/00/20/51/607002051.db2.gz KOUUESREOPPJRE-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@H]1OCCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)[C@@H]1C ZINC000820819777 607002053 /nfs/dbraw/zinc/00/20/53/607002053.db2.gz KOUUESREOPPJRE-CHWSQXEVSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@H]1OCCN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)[C@H]1C ZINC000820819779 607002166 /nfs/dbraw/zinc/00/21/66/607002166.db2.gz KOUUESREOPPJRE-QWHCGFSZSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@H]1OCCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)[C@H]1C ZINC000820819779 607002167 /nfs/dbraw/zinc/00/21/67/607002167.db2.gz KOUUESREOPPJRE-QWHCGFSZSA-N -1 3 385.428 0.698 20 0 GCADHM Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000822199644 607002824 /nfs/dbraw/zinc/00/28/24/607002824.db2.gz BYBIWVQHDJEBFD-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000822199644 607002826 /nfs/dbraw/zinc/00/28/26/607002826.db2.gz BYBIWVQHDJEBFD-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM COC(=O)C[C@@H](C)C(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821657656 607003774 /nfs/dbraw/zinc/00/37/74/607003774.db2.gz SPJABPROPGCYLW-PSASIEDQSA-N -1 3 379.398 0.776 20 0 GCADHM COC(=O)C[C@@H](C)C(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821657656 607003775 /nfs/dbraw/zinc/00/37/75/607003775.db2.gz SPJABPROPGCYLW-PSASIEDQSA-N -1 3 379.398 0.776 20 0 GCADHM O=S(=O)(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cccc2nonc21 ZINC000823577945 607004280 /nfs/dbraw/zinc/00/42/80/607004280.db2.gz DLGZCTIUTJXFSS-UHFFFAOYSA-N -1 3 387.381 0.760 20 0 GCADHM COc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1C)C2 ZINC000821727951 607005544 /nfs/dbraw/zinc/00/55/44/607005544.db2.gz PVKKXSPYOPKLRO-UHFFFAOYSA-N -1 3 387.425 0.721 20 0 GCADHM COc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1C)C2 ZINC000821727951 607005546 /nfs/dbraw/zinc/00/55/46/607005546.db2.gz PVKKXSPYOPKLRO-UHFFFAOYSA-N -1 3 387.425 0.721 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821640664 607007950 /nfs/dbraw/zinc/00/79/50/607007950.db2.gz MHYUJRDLVNSVQL-CYBMUJFWSA-N -1 3 383.430 0.454 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821640664 607007952 /nfs/dbraw/zinc/00/79/52/607007952.db2.gz MHYUJRDLVNSVQL-CYBMUJFWSA-N -1 3 383.430 0.454 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821641274 607008014 /nfs/dbraw/zinc/00/80/14/607008014.db2.gz ZGLIMGSHKVHONJ-CYBMUJFWSA-N -1 3 397.457 0.762 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821641274 607008016 /nfs/dbraw/zinc/00/80/16/607008016.db2.gz ZGLIMGSHKVHONJ-CYBMUJFWSA-N -1 3 397.457 0.762 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cscn1 ZINC000820450473 607016991 /nfs/dbraw/zinc/01/69/91/607016991.db2.gz KWAFMPIKXGZGAJ-SECBINFHSA-N -1 3 393.454 0.306 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cscn1 ZINC000820450473 607016993 /nfs/dbraw/zinc/01/69/93/607016993.db2.gz KWAFMPIKXGZGAJ-SECBINFHSA-N -1 3 393.454 0.306 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N=c1sccn1C ZINC000820447505 607018539 /nfs/dbraw/zinc/01/85/39/607018539.db2.gz ZFYPUUZDHHKWIB-VIFPVBQESA-N -1 3 393.454 0.061 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N=c1sccn1C ZINC000820447505 607018542 /nfs/dbraw/zinc/01/85/42/607018542.db2.gz ZFYPUUZDHHKWIB-VIFPVBQESA-N -1 3 393.454 0.061 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000823290362 607019118 /nfs/dbraw/zinc/01/91/18/607019118.db2.gz XBYCSRAVBJUERC-SNVBAGLBSA-N -1 3 386.803 0.855 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000820444761 607019746 /nfs/dbraw/zinc/01/97/46/607019746.db2.gz LRLYVMSLAGPRGH-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000820444761 607019748 /nfs/dbraw/zinc/01/97/48/607019748.db2.gz LRLYVMSLAGPRGH-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCSCC1 ZINC000820451879 607020266 /nfs/dbraw/zinc/02/02/66/607020266.db2.gz XUVZGYLEBLMGEX-SNVBAGLBSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCSCC1 ZINC000820451879 607020267 /nfs/dbraw/zinc/02/02/67/607020267.db2.gz XUVZGYLEBLMGEX-SNVBAGLBSA-N -1 3 396.498 0.545 20 0 GCADHM CN1C(=O)N[C@]2(CCN(C(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC000821620675 607020294 /nfs/dbraw/zinc/02/02/94/607020294.db2.gz RQMDKLQCFYKWRI-SFHVURJKSA-N -1 3 399.411 0.177 20 0 GCADHM CCn1nccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821567956 607020463 /nfs/dbraw/zinc/02/04/63/607020463.db2.gz BBSNGOPGDCFOHO-SNVBAGLBSA-N -1 3 390.429 0.389 20 0 GCADHM CCn1nccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821567956 607020464 /nfs/dbraw/zinc/02/04/64/607020464.db2.gz BBSNGOPGDCFOHO-SNVBAGLBSA-N -1 3 390.429 0.389 20 0 GCADHM CO[C@@H](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821673412 607020547 /nfs/dbraw/zinc/02/05/47/607020547.db2.gz AMGWPQIUKFYXQI-QWRGUYRKSA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@@H](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821673412 607020549 /nfs/dbraw/zinc/02/05/49/607020549.db2.gz AMGWPQIUKFYXQI-QWRGUYRKSA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@@H](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821674010 607020645 /nfs/dbraw/zinc/02/06/45/607020645.db2.gz RBGLRNITFQCTLW-QWRGUYRKSA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@@H](C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821674010 607020643 /nfs/dbraw/zinc/02/06/43/607020643.db2.gz RBGLRNITFQCTLW-QWRGUYRKSA-N -1 3 382.446 0.075 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC2(CC2)CC1 ZINC000820443948 607024086 /nfs/dbraw/zinc/02/40/86/607024086.db2.gz BTCNMFVCDAQYQW-LBPRGKRZSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC2(CC2)CC1 ZINC000820443948 607024088 /nfs/dbraw/zinc/02/40/88/607024088.db2.gz BTCNMFVCDAQYQW-LBPRGKRZSA-N -1 3 390.469 0.936 20 0 GCADHM COCCN(CC(=O)N(C)C)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821689378 607027715 /nfs/dbraw/zinc/02/77/15/607027715.db2.gz XXLIVRLKMDGHPA-UHFFFAOYSA-N -1 3 390.444 0.587 20 0 GCADHM COCCN(CC(=O)N(C)C)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821689378 607027716 /nfs/dbraw/zinc/02/77/16/607027716.db2.gz XXLIVRLKMDGHPA-UHFFFAOYSA-N -1 3 390.444 0.587 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@]1(C)CCOC1 ZINC000820438487 607028425 /nfs/dbraw/zinc/02/84/25/607028425.db2.gz QMLKVZQKYOSJMR-ZBEGNZNMSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@]1(C)CCOC1 ZINC000820438487 607028427 /nfs/dbraw/zinc/02/84/27/607028427.db2.gz QMLKVZQKYOSJMR-ZBEGNZNMSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@]1(C)CCOC1 ZINC000820438485 607028529 /nfs/dbraw/zinc/02/85/29/607028529.db2.gz QMLKVZQKYOSJMR-BZNIZROVSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@]1(C)CCOC1 ZINC000820438485 607028530 /nfs/dbraw/zinc/02/85/30/607028530.db2.gz QMLKVZQKYOSJMR-BZNIZROVSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@]1([C@@H]2CCCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)NC(=O)NC1=O ZINC000820612941 607029207 /nfs/dbraw/zinc/02/92/07/607029207.db2.gz OICMFEGWSVCTFK-ABKXIKBNSA-N -1 3 377.355 0.959 20 0 GCADHM C[C@@]1([C@@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)NC(=O)NC1=O ZINC000820612941 607029209 /nfs/dbraw/zinc/02/92/09/607029209.db2.gz OICMFEGWSVCTFK-ABKXIKBNSA-N -1 3 377.355 0.959 20 0 GCADHM CSCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821960792 607038328 /nfs/dbraw/zinc/03/83/28/607038328.db2.gz CWHHVNJXBJVNLG-NSHDSACASA-N -1 3 398.514 0.793 20 0 GCADHM CSCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821960792 607038329 /nfs/dbraw/zinc/03/83/29/607038329.db2.gz CWHHVNJXBJVNLG-NSHDSACASA-N -1 3 398.514 0.793 20 0 GCADHM COc1cccc(OCCN2CCN(c3nccnc3-c3nnn[n-]3)CC2)c1 ZINC000821877259 607038421 /nfs/dbraw/zinc/03/84/21/607038421.db2.gz FTYKJZASJFZNAQ-UHFFFAOYSA-N -1 3 382.428 0.866 20 0 GCADHM COc1cccc(OCCN2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000821877259 607038423 /nfs/dbraw/zinc/03/84/23/607038423.db2.gz FTYKJZASJFZNAQ-UHFFFAOYSA-N -1 3 382.428 0.866 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000820447023 607041778 /nfs/dbraw/zinc/04/17/78/607041778.db2.gz YEQIENQRUFGLID-SUHUHFCYSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000820447023 607041780 /nfs/dbraw/zinc/04/17/80/607041780.db2.gz YEQIENQRUFGLID-SUHUHFCYSA-N -1 3 376.442 0.544 20 0 GCADHM COC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821684648 607043430 /nfs/dbraw/zinc/04/34/30/607043430.db2.gz GLOOIONSRNCMIE-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM COC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821684648 607043431 /nfs/dbraw/zinc/04/34/31/607043431.db2.gz GLOOIONSRNCMIE-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM COC[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821684663 607043547 /nfs/dbraw/zinc/04/35/47/607043547.db2.gz GWCCBMJEACPUHK-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM COC[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821684663 607043549 /nfs/dbraw/zinc/04/35/49/607043549.db2.gz GWCCBMJEACPUHK-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C1CC1 ZINC000820447510 607044269 /nfs/dbraw/zinc/04/42/69/607044269.db2.gz ZLDYKFMVSCDDRJ-JTQLQIEISA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C1CC1 ZINC000820447510 607044271 /nfs/dbraw/zinc/04/42/71/607044271.db2.gz ZLDYKFMVSCDDRJ-JTQLQIEISA-N -1 3 378.458 0.838 20 0 GCADHM CCC(O)(CC)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820925904 607048438 /nfs/dbraw/zinc/04/84/38/607048438.db2.gz MYNVSGJSIBKFRJ-NSHDSACASA-N -1 3 396.473 0.201 20 0 GCADHM CCC(O)(CC)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820925904 607048439 /nfs/dbraw/zinc/04/84/39/607048439.db2.gz MYNVSGJSIBKFRJ-NSHDSACASA-N -1 3 396.473 0.201 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C)(C)C1 ZINC000820438888 607049394 /nfs/dbraw/zinc/04/93/94/607049394.db2.gz YTPMKBMORHQYEG-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)(C)C1 ZINC000820438888 607049395 /nfs/dbraw/zinc/04/93/95/607049395.db2.gz YTPMKBMORHQYEG-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)Oc2cc(-c3nnn[n-]3)ccc2C)cn1C ZINC000821635148 607050368 /nfs/dbraw/zinc/05/03/68/607050368.db2.gz OGJMSFFXUJABJJ-UHFFFAOYSA-N -1 3 376.398 0.641 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)Oc2cc(-c3nn[n-]n3)ccc2C)cn1C ZINC000821635148 607050369 /nfs/dbraw/zinc/05/03/69/607050369.db2.gz OGJMSFFXUJABJJ-UHFFFAOYSA-N -1 3 376.398 0.641 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451011 607050919 /nfs/dbraw/zinc/05/09/19/607050919.db2.gz QVHMLTIWINYDOW-BZNIZROVSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451011 607050921 /nfs/dbraw/zinc/05/09/21/607050921.db2.gz QVHMLTIWINYDOW-BZNIZROVSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451012 607050981 /nfs/dbraw/zinc/05/09/81/607050981.db2.gz QVHMLTIWINYDOW-MEDUHNTESA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451012 607050983 /nfs/dbraw/zinc/05/09/83/607050983.db2.gz QVHMLTIWINYDOW-MEDUHNTESA-N -1 3 396.473 0.057 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCS(=O)(=O)CC1CC1 ZINC000823065783 607051798 /nfs/dbraw/zinc/05/17/98/607051798.db2.gz BNPBDUJAYIRCRP-UHFFFAOYSA-N -1 3 381.483 0.900 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCS(=O)(=O)CC1CC1 ZINC000823065783 607051800 /nfs/dbraw/zinc/05/18/00/607051800.db2.gz BNPBDUJAYIRCRP-UHFFFAOYSA-N -1 3 381.483 0.900 20 0 GCADHM CCC[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821009414 607051951 /nfs/dbraw/zinc/05/19/51/607051951.db2.gz QYFYDJZGTPEYBK-MEDUHNTESA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821009414 607051952 /nfs/dbraw/zinc/05/19/52/607051952.db2.gz QYFYDJZGTPEYBK-MEDUHNTESA-N -1 3 396.473 0.201 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ccc[nH]1 ZINC000820447570 607052641 /nfs/dbraw/zinc/05/26/41/607052641.db2.gz ZTIDZZWGSUASEY-NSHDSACASA-N -1 3 389.441 0.520 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ccc[nH]1 ZINC000820447570 607052643 /nfs/dbraw/zinc/05/26/43/607052643.db2.gz ZTIDZZWGSUASEY-NSHDSACASA-N -1 3 389.441 0.520 20 0 GCADHM COCCC(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821685669 607053255 /nfs/dbraw/zinc/05/32/55/607053255.db2.gz MDLCCWCSWHGAJE-LLVKDONJSA-N -1 3 396.473 0.465 20 0 GCADHM COCCC(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821685669 607053257 /nfs/dbraw/zinc/05/32/57/607053257.db2.gz MDLCCWCSWHGAJE-LLVKDONJSA-N -1 3 396.473 0.465 20 0 GCADHM Cc1ncccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822472760 607053486 /nfs/dbraw/zinc/05/34/86/607053486.db2.gz ZCOZVIKJQDPOLW-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ncccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822472760 607053488 /nfs/dbraw/zinc/05/34/88/607053488.db2.gz ZCOZVIKJQDPOLW-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCSC1 ZINC000820450633 607054506 /nfs/dbraw/zinc/05/45/06/607054506.db2.gz NSLRYSGUTITVIR-ZYHUDNBSSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCSC1 ZINC000820450633 607054507 /nfs/dbraw/zinc/05/45/07/607054507.db2.gz NSLRYSGUTITVIR-ZYHUDNBSSA-N -1 3 396.498 0.545 20 0 GCADHM Cc1cncc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822399452 607055307 /nfs/dbraw/zinc/05/53/07/607055307.db2.gz IKQCCKJIKMZZHQ-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cncc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822399452 607055309 /nfs/dbraw/zinc/05/53/09/607055309.db2.gz IKQCCKJIKMZZHQ-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM CCN(CC)C(=O)CN1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000821175176 607055999 /nfs/dbraw/zinc/05/59/99/607055999.db2.gz HKXVRFHLJVFMEE-UHFFFAOYSA-N -1 3 375.452 0.992 20 0 GCADHM CCN(CC)C(=O)CN1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000821175176 607056001 /nfs/dbraw/zinc/05/60/01/607056001.db2.gz HKXVRFHLJVFMEE-UHFFFAOYSA-N -1 3 375.452 0.992 20 0 GCADHM CC[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820979170 607060938 /nfs/dbraw/zinc/06/09/38/607060938.db2.gz FXGWDYSIFPBBKW-NEPJUHHUSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820979170 607060940 /nfs/dbraw/zinc/06/09/40/607060940.db2.gz FXGWDYSIFPBBKW-NEPJUHHUSA-N -1 3 378.458 0.792 20 0 GCADHM O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823162587 607061715 /nfs/dbraw/zinc/06/17/15/607061715.db2.gz WYBLXGWZSDULMN-AWEZNQCLSA-N -1 3 393.455 0.979 20 0 GCADHM Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000822061251 607062087 /nfs/dbraw/zinc/06/20/87/607062087.db2.gz LEQWGXQWKMYVBF-VIFPVBQESA-N -1 3 390.429 0.214 20 0 GCADHM Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000822061251 607062088 /nfs/dbraw/zinc/06/20/88/607062088.db2.gz LEQWGXQWKMYVBF-VIFPVBQESA-N -1 3 390.429 0.214 20 0 GCADHM COC(C)(C)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821672482 607062179 /nfs/dbraw/zinc/06/21/79/607062179.db2.gz MEQRBHKXPCEWTM-NSHDSACASA-N -1 3 396.473 0.417 20 0 GCADHM COC(C)(C)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821672482 607062181 /nfs/dbraw/zinc/06/21/81/607062181.db2.gz MEQRBHKXPCEWTM-NSHDSACASA-N -1 3 396.473 0.417 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820861747 607063151 /nfs/dbraw/zinc/06/31/51/607063151.db2.gz NICJGUPGXAHXKI-COPLHBTASA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820861747 607063153 /nfs/dbraw/zinc/06/31/53/607063153.db2.gz NICJGUPGXAHXKI-COPLHBTASA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820995888 607063282 /nfs/dbraw/zinc/06/32/82/607063282.db2.gz ZUPKOSMMHOKLIF-ZFWWWQNUSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820995888 607063284 /nfs/dbraw/zinc/06/32/84/607063284.db2.gz ZUPKOSMMHOKLIF-ZFWWWQNUSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820993704 607063379 /nfs/dbraw/zinc/06/33/79/607063379.db2.gz APKCNOYJVYPSTP-UKRRQHHQSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820993704 607063381 /nfs/dbraw/zinc/06/33/81/607063381.db2.gz APKCNOYJVYPSTP-UKRRQHHQSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820995727 607063390 /nfs/dbraw/zinc/06/33/90/607063390.db2.gz WQQCHEZFNFOERO-GXSJLCMTSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820995727 607063392 /nfs/dbraw/zinc/06/33/92/607063392.db2.gz WQQCHEZFNFOERO-GXSJLCMTSA-N -1 3 384.487 0.718 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(F)(F)F ZINC000820443924 607079140 /nfs/dbraw/zinc/07/91/40/607079140.db2.gz BDGGLQFYBGWKSY-ZETCQYMHSA-N -1 3 379.320 0.639 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(F)(F)F ZINC000820443924 607079142 /nfs/dbraw/zinc/07/91/42/607079142.db2.gz BDGGLQFYBGWKSY-ZETCQYMHSA-N -1 3 379.320 0.639 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(F)(F)F ZINC000820451657 607079211 /nfs/dbraw/zinc/07/92/11/607079211.db2.gz WPDQADHCSYXLBA-ZETCQYMHSA-N -1 3 379.320 0.639 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(F)(F)F ZINC000820451657 607079212 /nfs/dbraw/zinc/07/92/12/607079212.db2.gz WPDQADHCSYXLBA-ZETCQYMHSA-N -1 3 379.320 0.639 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cnn(C)c1 ZINC000820444133 607080596 /nfs/dbraw/zinc/08/05/96/607080596.db2.gz GTOFQQZAVDMQLI-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cnn(C)c1 ZINC000820444133 607080597 /nfs/dbraw/zinc/08/05/97/607080597.db2.gz GTOFQQZAVDMQLI-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccoc1 ZINC000820451403 607080961 /nfs/dbraw/zinc/08/09/61/607080961.db2.gz VGVQISVFPCFLQU-SNVBAGLBSA-N -1 3 377.382 0.870 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccoc1 ZINC000820451403 607080962 /nfs/dbraw/zinc/08/09/62/607080962.db2.gz VGVQISVFPCFLQU-SNVBAGLBSA-N -1 3 377.382 0.870 20 0 GCADHM COCCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821686824 607081113 /nfs/dbraw/zinc/08/11/13/607081113.db2.gz BAAPDQXAHMRESW-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM COCCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821686824 607081115 /nfs/dbraw/zinc/08/11/15/607081115.db2.gz BAAPDQXAHMRESW-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCSC1 ZINC000820451392 607082953 /nfs/dbraw/zinc/08/29/53/607082953.db2.gz VBGHVQPFUQTSJW-MWLCHTKSSA-N -1 3 383.455 0.582 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCSC1 ZINC000820451392 607082954 /nfs/dbraw/zinc/08/29/54/607082954.db2.gz VBGHVQPFUQTSJW-MWLCHTKSSA-N -1 3 383.455 0.582 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000820032150 607083735 /nfs/dbraw/zinc/08/37/35/607083735.db2.gz LSHBLGMGJAPKDM-DOMZBBRYSA-N -1 3 393.469 0.964 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000820032150 607083737 /nfs/dbraw/zinc/08/37/37/607083737.db2.gz LSHBLGMGJAPKDM-DOMZBBRYSA-N -1 3 393.469 0.964 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823346393 607083941 /nfs/dbraw/zinc/08/39/41/607083941.db2.gz MXQDHANCFIRDHW-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823346393 607083943 /nfs/dbraw/zinc/08/39/43/607083943.db2.gz MXQDHANCFIRDHW-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(NC[C@H]1CCCS1(=O)=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823175487 607090248 /nfs/dbraw/zinc/09/02/48/607090248.db2.gz JSSCMENYWUJWQY-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(NC[C@H]1CCCS1(=O)=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823175487 607090250 /nfs/dbraw/zinc/09/02/50/607090250.db2.gz JSSCMENYWUJWQY-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(NC[C@H]1CCCS1(=O)=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823175209 607090460 /nfs/dbraw/zinc/09/04/60/607090460.db2.gz BZYDADGPCRLUIL-CABCVRRESA-N -1 3 390.469 0.529 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cnccn1 ZINC000820444042 607090695 /nfs/dbraw/zinc/09/06/95/607090695.db2.gz DUIJUGVJEGPWAF-SNVBAGLBSA-N -1 3 389.397 0.067 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cnccn1 ZINC000820444042 607090696 /nfs/dbraw/zinc/09/06/96/607090696.db2.gz DUIJUGVJEGPWAF-SNVBAGLBSA-N -1 3 389.397 0.067 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCCS1 ZINC000820444853 607090704 /nfs/dbraw/zinc/09/07/04/607090704.db2.gz MNSDOQQKVGHSTB-CMPLNLGQSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCCS1 ZINC000820444853 607090705 /nfs/dbraw/zinc/09/07/05/607090705.db2.gz MNSDOQQKVGHSTB-CMPLNLGQSA-N -1 3 397.482 0.972 20 0 GCADHM CO[C@H](C)CCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821673476 607091430 /nfs/dbraw/zinc/09/14/30/607091430.db2.gz CHWUESTWDDHAFK-MNOVXSKESA-N -1 3 383.430 0.502 20 0 GCADHM CO[C@H](C)CCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821673476 607091431 /nfs/dbraw/zinc/09/14/31/607091431.db2.gz CHWUESTWDDHAFK-MNOVXSKESA-N -1 3 383.430 0.502 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821170598 607093703 /nfs/dbraw/zinc/09/37/03/607093703.db2.gz UKRWCQPTMUOJOS-HNNXBMFYSA-N -1 3 399.455 0.973 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821170598 607093704 /nfs/dbraw/zinc/09/37/04/607093704.db2.gz UKRWCQPTMUOJOS-HNNXBMFYSA-N -1 3 399.455 0.973 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c(=O)n(C)c1 ZINC000822207196 607093775 /nfs/dbraw/zinc/09/37/75/607093775.db2.gz NYUPFGPBOZTRKG-UHFFFAOYSA-N -1 3 397.395 0.008 20 0 GCADHM CN(C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821571947 607093872 /nfs/dbraw/zinc/09/38/72/607093872.db2.gz LXXAEPPHUIOFGV-UHFFFAOYSA-N -1 3 397.436 0.894 20 0 GCADHM CN(C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821571947 607093874 /nfs/dbraw/zinc/09/38/74/607093874.db2.gz LXXAEPPHUIOFGV-UHFFFAOYSA-N -1 3 397.436 0.894 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[S@@](C)=O ZINC000820242320 607096820 /nfs/dbraw/zinc/09/68/20/607096820.db2.gz MYVAUTJSTIQTPR-HUVZLPTESA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[S@@](C)=O ZINC000820242320 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398.423 0.964 20 0 GCADHM CC[C@@H](C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCCC1=O ZINC000820848335 607111650 /nfs/dbraw/zinc/11/16/50/607111650.db2.gz VBBUNWRGUJRPJS-GJZGRUSLSA-N -1 3 398.423 0.916 20 0 GCADHM CC[C@@H](C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCCC1=O ZINC000820848335 607111651 /nfs/dbraw/zinc/11/16/51/607111651.db2.gz VBBUNWRGUJRPJS-GJZGRUSLSA-N -1 3 398.423 0.916 20 0 GCADHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)C1CCOCC1 ZINC000819883007 607114223 /nfs/dbraw/zinc/11/42/23/607114223.db2.gz DUOJVCYNDPUBCJ-LLVKDONJSA-N -1 3 380.426 0.892 20 0 GCADHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000819883007 607114224 /nfs/dbraw/zinc/11/42/24/607114224.db2.gz DUOJVCYNDPUBCJ-LLVKDONJSA-N -1 3 380.426 0.892 20 0 GCADHM CS(=O)(=O)CCCCN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821927151 607114634 /nfs/dbraw/zinc/11/46/34/607114634.db2.gz RQOUYPJDBDZGPW-UHFFFAOYSA-N -1 3 382.465 0.953 20 0 GCADHM 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IMTSGUGSTCRCMK-JTQLQIEISA-N -1 3 381.414 0.302 20 0 GCADHM CC(C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820005009 607120549 /nfs/dbraw/zinc/12/05/49/607120549.db2.gz IMTSGUGSTCRCMK-JTQLQIEISA-N -1 3 381.414 0.302 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCOC(C)(C)C ZINC000820450906 607120661 /nfs/dbraw/zinc/12/06/61/607120661.db2.gz QGMIIZNSLNNYOK-NSHDSACASA-N -1 3 397.457 0.892 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCOC(C)(C)C ZINC000820450906 607120663 /nfs/dbraw/zinc/12/06/63/607120663.db2.gz QGMIIZNSLNNYOK-NSHDSACASA-N -1 3 397.457 0.892 20 0 GCADHM CCC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820831997 607120816 /nfs/dbraw/zinc/12/08/16/607120816.db2.gz GSLYGEACTCAESW-NXEZZACHSA-N -1 3 381.414 0.444 20 0 GCADHM CCC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820831997 607120817 /nfs/dbraw/zinc/12/08/17/607120817.db2.gz GSLYGEACTCAESW-NXEZZACHSA-N -1 3 381.414 0.444 20 0 GCADHM 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/nfs/dbraw/zinc/12/32/43/607123243.db2.gz VMACQVVBZKMLPU-GDBMZVCRSA-N -1 3 383.408 0.866 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000821104587 607125103 /nfs/dbraw/zinc/12/51/03/607125103.db2.gz JFMUFZYXKOFKLS-LSDHHAIUSA-N -1 3 387.444 0.821 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000821104587 607125105 /nfs/dbraw/zinc/12/51/05/607125105.db2.gz JFMUFZYXKOFKLS-LSDHHAIUSA-N -1 3 387.444 0.821 20 0 GCADHM Cc1nc(-c2ccc(C)cc2NC(=O)Cn2nc(C)c(-c3nnn[n-]3)c2N)n[nH]1 ZINC000822214055 607133244 /nfs/dbraw/zinc/13/32/44/607133244.db2.gz NJJIOOGQVKMFDA-UHFFFAOYSA-N -1 3 393.415 0.994 20 0 GCADHM Cc1nc(-c2ccc(C)cc2NC(=O)Cn2nc(C)c(-c3nn[n-]n3)c2N)n[nH]1 ZINC000822214055 607133246 /nfs/dbraw/zinc/13/32/46/607133246.db2.gz NJJIOOGQVKMFDA-UHFFFAOYSA-N -1 3 393.415 0.994 20 0 GCADHM Cn1nccc1CCOC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822709932 607133756 /nfs/dbraw/zinc/13/37/56/607133756.db2.gz SBOZMLMOJLQFIV-UHFFFAOYSA-N -1 3 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GSOZZPJFKJVTFM-MRXNPFEDSA-N -1 3 376.348 0.356 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000821651789 607142640 /nfs/dbraw/zinc/14/26/40/607142640.db2.gz GHGCLUPZJKOOCT-INIZCTEOSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000821651789 607142642 /nfs/dbraw/zinc/14/26/42/607142642.db2.gz GHGCLUPZJKOOCT-INIZCTEOSA-N -1 3 392.803 0.870 20 0 GCADHM COCCC(=O)N1CCC(NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821685417 607144124 /nfs/dbraw/zinc/14/41/24/607144124.db2.gz CMRMYXWUPBNQIC-UHFFFAOYSA-N -1 3 394.457 0.173 20 0 GCADHM COCCC(=O)N1CCC(NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821685417 607144126 /nfs/dbraw/zinc/14/41/26/607144126.db2.gz CMRMYXWUPBNQIC-UHFFFAOYSA-N -1 3 394.457 0.173 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000821367857 607144181 /nfs/dbraw/zinc/14/41/81/607144181.db2.gz NXEAPTDAFULIDM-GFCCVEGCSA-N -1 3 393.400 0.291 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000821367857 607144182 /nfs/dbraw/zinc/14/41/82/607144182.db2.gz NXEAPTDAFULIDM-GFCCVEGCSA-N -1 3 393.400 0.291 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821367927 607144401 /nfs/dbraw/zinc/14/44/01/607144401.db2.gz OUIBYNGQANKIFG-CYBMUJFWSA-N -1 3 379.442 0.995 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821367927 607144403 /nfs/dbraw/zinc/14/44/03/607144403.db2.gz OUIBYNGQANKIFG-CYBMUJFWSA-N -1 3 379.442 0.995 20 0 GCADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000820121371 607144855 /nfs/dbraw/zinc/14/48/55/607144855.db2.gz QYIBISXKVDTYSA-CABCVRRESA-N -1 3 387.444 0.820 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000820121371 607144857 /nfs/dbraw/zinc/14/48/57/607144857.db2.gz QYIBISXKVDTYSA-CABCVRRESA-N -1 3 387.444 0.820 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCS[C@@H]2COCC[C@H]21 ZINC000823567341 607146277 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GCADHM CC(C)(C)OC(=O)NC1(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000819933536 607154814 /nfs/dbraw/zinc/15/48/14/607154814.db2.gz VKALBNAYDBOVFI-UHFFFAOYSA-N -1 3 388.432 0.847 20 0 GCADHM CCOC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821315256 607158158 /nfs/dbraw/zinc/15/81/58/607158158.db2.gz QZWFWVNOUBDDNQ-NXEZZACHSA-N -1 3 397.413 0.028 20 0 GCADHM CCOC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821315256 607158159 /nfs/dbraw/zinc/15/81/59/607158159.db2.gz QZWFWVNOUBDDNQ-NXEZZACHSA-N -1 3 397.413 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](O)C(C)(C)C ZINC000820438842 607159353 /nfs/dbraw/zinc/15/93/53/607159353.db2.gz XUFHRMMWBFYKQH-MFKMUULPSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](O)C(C)(C)C ZINC000820438842 607159354 /nfs/dbraw/zinc/15/93/54/607159354.db2.gz XUFHRMMWBFYKQH-MFKMUULPSA-N -1 3 396.473 0.057 20 0 GCADHM Cc1nn(CC(=O)N[C@H](C)Cc2c(F)cccc2F)c(N)c1-c1nnn[n-]1 ZINC000822497076 607159993 /nfs/dbraw/zinc/15/99/93/607159993.db2.gz XROIAGRSFLNYKD-MRVPVSSYSA-N -1 3 376.371 0.979 20 0 GCADHM Cc1nn(CC(=O)N[C@H](C)Cc2c(F)cccc2F)c(N)c1-c1nn[n-]n1 ZINC000822497076 607159994 /nfs/dbraw/zinc/15/99/94/607159994.db2.gz XROIAGRSFLNYKD-MRVPVSSYSA-N -1 3 376.371 0.979 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc2c(c1)nnn2C ZINC000820804809 607174379 /nfs/dbraw/zinc/17/43/79/607174379.db2.gz ZUNMNEVQBKFRJM-LBPRGKRZSA-N -1 3 391.443 0.649 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc2c(c1)nnn2C ZINC000820804808 607174554 /nfs/dbraw/zinc/17/45/54/607174554.db2.gz ZUNMNEVQBKFRJM-GFCCVEGCSA-N -1 3 391.443 0.649 20 0 GCADHM CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821592517 607179959 /nfs/dbraw/zinc/17/99/59/607179959.db2.gz JOFUOVMZALECDP-UHFFFAOYSA-N -1 3 393.835 0.832 20 0 GCADHM CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821592517 607179960 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GCADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000820758981 607180542 /nfs/dbraw/zinc/18/05/42/607180542.db2.gz GKVKNJSTASBBQE-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820102754 607180598 /nfs/dbraw/zinc/18/05/98/607180598.db2.gz JGEJTZCQXMOXND-LLVKDONJSA-N -1 3 396.835 0.608 20 0 GCADHM CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820102754 607180599 /nfs/dbraw/zinc/18/05/99/607180599.db2.gz JGEJTZCQXMOXND-LLVKDONJSA-N -1 3 396.835 0.608 20 0 GCADHM COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000821664615 607180811 /nfs/dbraw/zinc/18/08/11/607180811.db2.gz BAWXLTMUFBIYQO-UHFFFAOYSA-N -1 3 393.791 0.369 20 0 GCADHM COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821664615 607180812 /nfs/dbraw/zinc/18/08/12/607180812.db2.gz BAWXLTMUFBIYQO-UHFFFAOYSA-N -1 3 393.791 0.369 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCN(C2CC2)CC1 ZINC000823314200 607181159 /nfs/dbraw/zinc/18/11/59/607181159.db2.gz OJARJPGGXZJBLW-UHFFFAOYSA-N -1 3 375.820 0.765 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCN(C2CC2)CC1 ZINC000823314200 607181160 /nfs/dbraw/zinc/18/11/60/607181160.db2.gz OJARJPGGXZJBLW-UHFFFAOYSA-N -1 3 375.820 0.765 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC000820129311 607181466 /nfs/dbraw/zinc/18/14/66/607181466.db2.gz YSEZXOMVMMJLGF-GFCCVEGCSA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000820129311 607181467 /nfs/dbraw/zinc/18/14/67/607181467.db2.gz YSEZXOMVMMJLGF-GFCCVEGCSA-N -1 3 391.819 0.584 20 0 GCADHM CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821601302 607181882 /nfs/dbraw/zinc/18/18/82/607181882.db2.gz ABLIODLHALQGBG-UHFFFAOYSA-N -1 3 391.819 0.539 20 0 GCADHM CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821601302 607181883 /nfs/dbraw/zinc/18/18/83/607181883.db2.gz ABLIODLHALQGBG-UHFFFAOYSA-N -1 3 391.819 0.539 20 0 GCADHM O=C(NCCOC[C@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823210598 607182109 /nfs/dbraw/zinc/18/21/09/607182109.db2.gz BZFMWZUJQYRBDD-JTQLQIEISA-N -1 3 394.819 0.628 20 0 GCADHM O=C(NCCOC[C@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823210598 607182110 /nfs/dbraw/zinc/18/21/10/607182110.db2.gz BZFMWZUJQYRBDD-JTQLQIEISA-N -1 3 394.819 0.628 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820643203 607182510 /nfs/dbraw/zinc/18/25/10/607182510.db2.gz RTCXXOJZADYJBY-UXDGFGRTSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820643203 607182511 /nfs/dbraw/zinc/18/25/11/607182511.db2.gz RTCXXOJZADYJBY-UXDGFGRTSA-N -1 3 396.860 0.827 20 0 GCADHM O=C(NCCSCCCO)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823218910 607182701 /nfs/dbraw/zinc/18/27/01/607182701.db2.gz BOFYTJZIQDJSIH-UHFFFAOYSA-N -1 3 384.849 0.690 20 0 GCADHM O=C(NCCSCCCO)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823218910 607182702 /nfs/dbraw/zinc/18/27/02/607182702.db2.gz BOFYTJZIQDJSIH-UHFFFAOYSA-N -1 3 384.849 0.690 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822860061 607182743 /nfs/dbraw/zinc/18/27/43/607182743.db2.gz MOUGEJHWBCKREJ-WCBMZHEXSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822860061 607182744 /nfs/dbraw/zinc/18/27/44/607182744.db2.gz MOUGEJHWBCKREJ-WCBMZHEXSA-N -1 3 391.819 0.619 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000823360357 607185099 /nfs/dbraw/zinc/18/50/99/607185099.db2.gz ZZBVDJJDTXNONW-CXAGYDPISA-N -1 3 388.453 0.976 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000823360357 607185100 /nfs/dbraw/zinc/18/51/00/607185100.db2.gz ZZBVDJJDTXNONW-CXAGYDPISA-N -1 3 388.453 0.976 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821948582 607187147 /nfs/dbraw/zinc/18/71/47/607187147.db2.gz CVKQZGWFMVJYNR-RNCFNFMXSA-N -1 3 388.457 0.477 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821948582 607187148 /nfs/dbraw/zinc/18/71/48/607187148.db2.gz CVKQZGWFMVJYNR-RNCFNFMXSA-N -1 3 388.457 0.477 20 0 GCADHM COCCc1cc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)n(C)n1 ZINC000821694188 607204474 /nfs/dbraw/zinc/20/44/74/607204474.db2.gz BJVRNDUXLVHDKY-UHFFFAOYSA-N -1 3 386.420 0.418 20 0 GCADHM COCCc1cc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)n(C)n1 ZINC000821694188 607204475 /nfs/dbraw/zinc/20/44/75/607204475.db2.gz BJVRNDUXLVHDKY-UHFFFAOYSA-N -1 3 386.420 0.418 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000823536105 607205402 /nfs/dbraw/zinc/20/54/02/607205402.db2.gz RRQPSDNRLQYXNT-OLZOCXBDSA-N -1 3 385.432 0.126 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000823536105 607205403 /nfs/dbraw/zinc/20/54/03/607205403.db2.gz RRQPSDNRLQYXNT-OLZOCXBDSA-N -1 3 385.432 0.126 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000823535996 607205600 /nfs/dbraw/zinc/20/56/00/607205600.db2.gz OLCOQGQNYNZVGN-STQMWFEESA-N -1 3 385.432 0.126 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000823535996 607205601 /nfs/dbraw/zinc/20/56/01/607205601.db2.gz OLCOQGQNYNZVGN-STQMWFEESA-N -1 3 385.432 0.126 20 0 GCADHM C[C@H]1CN(CCCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000820761825 607229623 /nfs/dbraw/zinc/22/96/23/607229623.db2.gz ZPRAEOFEKHDKIV-STQMWFEESA-N -1 3 395.489 0.429 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000820993886 607230434 /nfs/dbraw/zinc/23/04/34/607230434.db2.gz BPHVYOAPDHFTFF-BBRMVZONSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820993886 607230435 /nfs/dbraw/zinc/23/04/35/607230435.db2.gz BPHVYOAPDHFTFF-BBRMVZONSA-N -1 3 392.485 0.598 20 0 GCADHM O=C(c1ccc(COc2ccccc2-c2nnn[n-]2)o1)N1CCO[C@@H](CO)C1 ZINC000823488129 607231034 /nfs/dbraw/zinc/23/10/34/607231034.db2.gz JSHIHYAEVATLKU-CYBMUJFWSA-N -1 3 385.380 0.872 20 0 GCADHM O=C(c1ccc(COc2ccccc2-c2nn[n-]n2)o1)N1CCO[C@@H](CO)C1 ZINC000823488129 607231035 /nfs/dbraw/zinc/23/10/35/607231035.db2.gz JSHIHYAEVATLKU-CYBMUJFWSA-N -1 3 385.380 0.872 20 0 GCADHM O=C(c1ccc(COc2ccccc2-c2nnn[n-]2)o1)N1CCO[C@H](CO)C1 ZINC000823488130 607231072 /nfs/dbraw/zinc/23/10/72/607231072.db2.gz JSHIHYAEVATLKU-ZDUSSCGKSA-N -1 3 385.380 0.872 20 0 GCADHM O=C(c1ccc(COc2ccccc2-c2nn[n-]n2)o1)N1CCO[C@H](CO)C1 ZINC000823488130 607231073 /nfs/dbraw/zinc/23/10/73/607231073.db2.gz JSHIHYAEVATLKU-ZDUSSCGKSA-N -1 3 385.380 0.872 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N2CCO[C@H](CO)C2)c1-c1nnn[n-]1 ZINC000821988262 607234472 /nfs/dbraw/zinc/23/44/72/607234472.db2.gz DKOQWBREAZIBFT-JTQLQIEISA-N -1 3 376.442 0.694 20 0 GCADHM CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735633148 607236089 /nfs/dbraw/zinc/23/60/89/607236089.db2.gz NINMSCKLZRVATM-KBPBESRZSA-N -1 3 387.444 0.992 20 0 GCADHM CC(C)(C)OC(=O)N[C@H]1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735633148 607236090 /nfs/dbraw/zinc/23/60/90/607236090.db2.gz NINMSCKLZRVATM-KBPBESRZSA-N -1 3 387.444 0.992 20 0 GCADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@H]1COCCO1 ZINC000821698614 607239974 /nfs/dbraw/zinc/23/99/74/607239974.db2.gz RDQSVAKRESGIJU-SNVBAGLBSA-N -1 3 385.174 0.959 20 0 GCADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@H]1COCCO1 ZINC000821698614 607239975 /nfs/dbraw/zinc/23/99/75/607239975.db2.gz RDQSVAKRESGIJU-SNVBAGLBSA-N -1 3 385.174 0.959 20 0 GCADHM CN(CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F)S(=O)(=O)c1cccnc1 ZINC000821593828 607248655 /nfs/dbraw/zinc/24/86/55/607248655.db2.gz LYIAJHDOLBBSCD-UHFFFAOYSA-N -1 3 392.372 0.627 20 0 GCADHM CN(CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F)S(=O)(=O)c1cccnc1 ZINC000821593828 607248656 /nfs/dbraw/zinc/24/86/56/607248656.db2.gz LYIAJHDOLBBSCD-UHFFFAOYSA-N -1 3 392.372 0.627 20 0 GCADHM NC(=O)C(NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000822850327 607251381 /nfs/dbraw/zinc/25/13/81/607251381.db2.gz FEGBEJYPTVXVPA-UHFFFAOYSA-N -1 3 397.420 0.087 20 0 GCADHM NC(=O)C(NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000822850327 607251382 /nfs/dbraw/zinc/25/13/82/607251382.db2.gz FEGBEJYPTVXVPA-UHFFFAOYSA-N -1 3 397.420 0.087 20 0 GCADHM CCN(CCO)C(=O)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825424992 607772421 /nfs/dbraw/zinc/77/24/21/607772421.db2.gz WYSBEMHVJMEPNX-UHFFFAOYSA-N -1 3 387.425 0.770 20 0 GCADHM CCN(CCO)C(=O)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825424992 607772422 /nfs/dbraw/zinc/77/24/22/607772422.db2.gz WYSBEMHVJMEPNX-UHFFFAOYSA-N -1 3 387.425 0.770 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CCN(C(C)=O)C[C@H]1C ZINC000826174711 607773522 /nfs/dbraw/zinc/77/35/22/607773522.db2.gz GWTKTPKRJGSLLK-RISCZKNCSA-N -1 3 388.428 0.627 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CCN(C(C)=O)C[C@H]1C ZINC000826174711 607773523 /nfs/dbraw/zinc/77/35/23/607773523.db2.gz GWTKTPKRJGSLLK-RISCZKNCSA-N -1 3 388.428 0.627 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824471226 607773543 /nfs/dbraw/zinc/77/35/43/607773543.db2.gz PSGMRSDIXOXLSO-JTQLQIEISA-N -1 3 381.400 0.539 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cnc(N(C)C)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824471226 607773544 /nfs/dbraw/zinc/77/35/44/607773544.db2.gz PSGMRSDIXOXLSO-JTQLQIEISA-N -1 3 381.400 0.539 20 0 GCADHM CN(C)c1ncc(NC(=O)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825972265 607773549 /nfs/dbraw/zinc/77/35/49/607773549.db2.gz YNUOSEQXABNHAL-UHFFFAOYSA-N -1 3 381.400 0.320 20 0 GCADHM CN(C)c1ncc(NC(=O)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825972265 607773550 /nfs/dbraw/zinc/77/35/50/607773550.db2.gz YNUOSEQXABNHAL-UHFFFAOYSA-N -1 3 381.400 0.320 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)CCO)cc1-c1nnn[n-]1 ZINC000825522208 607773726 /nfs/dbraw/zinc/77/37/26/607773726.db2.gz CQXNBDFSFBAIET-SECBINFHSA-N -1 3 391.388 0.261 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)CCO)cc1-c1nn[n-]n1 ZINC000825522208 607773727 /nfs/dbraw/zinc/77/37/27/607773727.db2.gz CQXNBDFSFBAIET-SECBINFHSA-N -1 3 391.388 0.261 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)O)cc1-c1nnn[n-]1 ZINC000825523176 607773786 /nfs/dbraw/zinc/77/37/86/607773786.db2.gz NRSUYYSPTIVWKH-UHFFFAOYSA-N -1 3 391.388 0.261 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)O)cc1-c1nn[n-]n1 ZINC000825523176 607773787 /nfs/dbraw/zinc/77/37/87/607773787.db2.gz NRSUYYSPTIVWKH-UHFFFAOYSA-N -1 3 391.388 0.261 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC(F)F)cc1-c1nnn[n-]1 ZINC000825523097 607773791 /nfs/dbraw/zinc/77/37/91/607773791.db2.gz MORKJVIFXZABAQ-UHFFFAOYSA-N -1 3 383.315 0.755 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC(F)F)cc1-c1nn[n-]n1 ZINC000825523097 607773792 /nfs/dbraw/zinc/77/37/92/607773792.db2.gz MORKJVIFXZABAQ-UHFFFAOYSA-N -1 3 383.315 0.755 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@H](C)O)cc1-c1nnn[n-]1 ZINC000825523624 607773831 /nfs/dbraw/zinc/77/38/31/607773831.db2.gz ROMZHNHRQXTGBX-VIFPVBQESA-N -1 3 391.388 0.261 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@H](C)O)cc1-c1nn[n-]n1 ZINC000825523624 607773832 /nfs/dbraw/zinc/77/38/32/607773832.db2.gz ROMZHNHRQXTGBX-VIFPVBQESA-N -1 3 391.388 0.261 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)N1CC[C@H](CO)C1 ZINC000826459320 607773947 /nfs/dbraw/zinc/77/39/47/607773947.db2.gz FNDKUVMHMMNWCZ-JTQLQIEISA-N -1 3 399.436 0.770 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)N1CC[C@H](CO)C1 ZINC000826459320 607773948 /nfs/dbraw/zinc/77/39/48/607773948.db2.gz FNDKUVMHMMNWCZ-JTQLQIEISA-N -1 3 399.436 0.770 20 0 GCADHM O=C(NCCN1CCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826437443 607775699 /nfs/dbraw/zinc/77/56/99/607775699.db2.gz LXXZFPHLVDAQMI-UHFFFAOYSA-N -1 3 381.343 0.229 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000825522781 607775775 /nfs/dbraw/zinc/77/57/75/607775775.db2.gz JZZPTUKWEFRKTE-JTQLQIEISA-N -1 3 389.372 0.279 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000825522781 607775776 /nfs/dbraw/zinc/77/57/76/607775776.db2.gz JZZPTUKWEFRKTE-JTQLQIEISA-N -1 3 389.372 0.279 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826433129 607781189 /nfs/dbraw/zinc/78/11/89/607781189.db2.gz VTDNFSXSJQFOKA-ZDUSSCGKSA-N -1 3 395.427 0.127 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826433129 607781190 /nfs/dbraw/zinc/78/11/90/607781190.db2.gz VTDNFSXSJQFOKA-ZDUSSCGKSA-N -1 3 395.427 0.127 20 0 GCADHM COCCN(CC(=O)NCC1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157983 607784079 /nfs/dbraw/zinc/78/40/79/607784079.db2.gz UXQDOJITWFFRQI-UHFFFAOYSA-N -1 3 394.457 0.030 20 0 GCADHM COCCN(CC(=O)NCC1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157983 607784080 /nfs/dbraw/zinc/78/40/80/607784080.db2.gz UXQDOJITWFFRQI-UHFFFAOYSA-N -1 3 394.457 0.030 20 0 GCADHM CN(CC(=O)N(C)c1ccccc1-c1nnn[n-]1)S(=O)(=O)c1cccnc1 ZINC000825817494 607787256 /nfs/dbraw/zinc/78/72/56/607787256.db2.gz JUBKBDOKKQEYQQ-UHFFFAOYSA-N -1 3 387.425 0.545 20 0 GCADHM CN(CC(=O)N(C)c1ccccc1-c1nn[n-]n1)S(=O)(=O)c1cccnc1 ZINC000825817494 607787257 /nfs/dbraw/zinc/78/72/57/607787257.db2.gz JUBKBDOKKQEYQQ-UHFFFAOYSA-N -1 3 387.425 0.545 20 0 GCADHM C[C@@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824500352 607792941 /nfs/dbraw/zinc/79/29/41/607792941.db2.gz VQHDFWAGGQIOIC-NEPJUHHUSA-N -1 3 393.473 0.508 20 0 GCADHM C[C@@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824500352 607792942 /nfs/dbraw/zinc/79/29/42/607792942.db2.gz VQHDFWAGGQIOIC-NEPJUHHUSA-N -1 3 393.473 0.508 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000825971387 607793790 /nfs/dbraw/zinc/79/37/90/607793790.db2.gz DQJOTQLFIBIOMI-ZDUSSCGKSA-N -1 3 393.473 0.290 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000825971387 607793791 /nfs/dbraw/zinc/79/37/91/607793791.db2.gz DQJOTQLFIBIOMI-ZDUSSCGKSA-N -1 3 393.473 0.290 20 0 GCADHM CCN(CCS(C)(=O)=O)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825424967 607801345 /nfs/dbraw/zinc/80/13/45/607801345.db2.gz VSNSVHZUHMEISL-UHFFFAOYSA-N -1 3 387.487 0.007 20 0 GCADHM CCN(CCS(C)(=O)=O)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825424967 607801346 /nfs/dbraw/zinc/80/13/46/607801346.db2.gz VSNSVHZUHMEISL-UHFFFAOYSA-N -1 3 387.487 0.007 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825424245 607801408 /nfs/dbraw/zinc/80/14/08/607801408.db2.gz CHJOHGBYSZVOAU-CQSZACIVSA-N -1 3 378.458 0.339 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825424245 607801409 /nfs/dbraw/zinc/80/14/09/607801409.db2.gz CHJOHGBYSZVOAU-CQSZACIVSA-N -1 3 378.458 0.339 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000826277767 607803294 /nfs/dbraw/zinc/80/32/94/607803294.db2.gz GFYPXBYENADYTB-LLVKDONJSA-N -1 3 379.446 0.578 20 0 GCADHM 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GCADHM C[C@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824818742 607814641 /nfs/dbraw/zinc/81/46/41/607814641.db2.gz VZVNRKGNGWLJMM-MRXNPFEDSA-N -1 3 390.425 0.361 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824818742 607814642 /nfs/dbraw/zinc/81/46/42/607814642.db2.gz VZVNRKGNGWLJMM-MRXNPFEDSA-N -1 3 390.425 0.361 20 0 GCADHM CCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)Cc1cnn(C)c1 ZINC000825424410 607815418 /nfs/dbraw/zinc/81/54/18/607815418.db2.gz FZEQNXYTPHWNHC-UHFFFAOYSA-N -1 3 375.458 0.896 20 0 GCADHM CCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)Cc1cnn(C)c1 ZINC000825424410 607815419 /nfs/dbraw/zinc/81/54/19/607815419.db2.gz FZEQNXYTPHWNHC-UHFFFAOYSA-N -1 3 375.458 0.896 20 0 GCADHM O=S(=O)(CCN1CCN(CC2CC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484451 607815572 /nfs/dbraw/zinc/81/55/72/607815572.db2.gz DIYSFIGIYGIMKC-UHFFFAOYSA-N -1 3 376.486 0.668 20 0 GCADHM O=S(=O)(CCN1CCN(CC2CC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484451 607815573 /nfs/dbraw/zinc/81/55/73/607815573.db2.gz DIYSFIGIYGIMKC-UHFFFAOYSA-N -1 3 376.486 0.668 20 0 GCADHM Cc1nc(CCN(C)CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000826325141 607815588 /nfs/dbraw/zinc/81/55/88/607815588.db2.gz OSBILDRPRNNEPK-UHFFFAOYSA-N -1 3 377.430 0.506 20 0 GCADHM Cc1nc(CCN(C)CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000826325141 607815589 /nfs/dbraw/zinc/81/55/89/607815589.db2.gz OSBILDRPRNNEPK-UHFFFAOYSA-N -1 3 377.430 0.506 20 0 GCADHM O=S(=O)(CCN1CCC[C@@H](n2cncn2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484769 607815783 /nfs/dbraw/zinc/81/57/83/607815783.db2.gz OJYMDZAPLANUPH-CQSZACIVSA-N -1 3 388.457 0.569 20 0 GCADHM O=S(=O)(CCN1CCC[C@@H](n2cncn2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484769 607815784 /nfs/dbraw/zinc/81/57/84/607815784.db2.gz OJYMDZAPLANUPH-CQSZACIVSA-N -1 3 388.457 0.569 20 0 GCADHM O=c1c2ncccc2cnn1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826501214 607816495 /nfs/dbraw/zinc/81/64/95/607816495.db2.gz FLPQUYRYTHWJEZ-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM O=c1c2ncccc2cnn1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826501214 607816496 /nfs/dbraw/zinc/81/64/96/607816496.db2.gz FLPQUYRYTHWJEZ-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826487113 607818858 /nfs/dbraw/zinc/81/88/58/607818858.db2.gz DHWKKGAMLFQZRR-HOCLYGCPSA-N -1 3 389.437 0.630 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826487113 607818859 /nfs/dbraw/zinc/81/88/59/607818859.db2.gz DHWKKGAMLFQZRR-HOCLYGCPSA-N -1 3 389.437 0.630 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)S(C)(=O)=O ZINC000824427407 607819075 /nfs/dbraw/zinc/81/90/75/607819075.db2.gz MSVXZIAPFJTASX-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)S(C)(=O)=O ZINC000824427407 607819076 /nfs/dbraw/zinc/81/90/76/607819076.db2.gz MSVXZIAPFJTASX-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826437841 607822838 /nfs/dbraw/zinc/82/28/38/607822838.db2.gz CTQQHINCUCQVFR-NWANDNLSSA-N -1 3 384.444 0.930 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826437841 607822839 /nfs/dbraw/zinc/82/28/39/607822839.db2.gz CTQQHINCUCQVFR-NWANDNLSSA-N -1 3 384.444 0.930 20 0 GCADHM C[C@H](OC(=O)[C@H]1CCC(=O)O1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000824713133 607826086 /nfs/dbraw/zinc/82/60/86/607826086.db2.gz GYDIVFDBHVFFNB-IONNQARKSA-N -1 3 391.409 0.993 20 0 GCADHM C[C@H](OC(=O)[C@H]1CCC(=O)O1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000824713133 607826087 /nfs/dbraw/zinc/82/60/87/607826087.db2.gz GYDIVFDBHVFFNB-IONNQARKSA-N -1 3 391.409 0.993 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)CC(=O)OC(C)(C)C ZINC000825946248 607827990 /nfs/dbraw/zinc/82/79/90/607827990.db2.gz POJFNVVSCLMXSM-UHFFFAOYSA-N -1 3 381.458 0.914 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)CC(=O)OC(C)(C)C ZINC000825946248 607827991 /nfs/dbraw/zinc/82/79/91/607827991.db2.gz POJFNVVSCLMXSM-UHFFFAOYSA-N -1 3 381.458 0.914 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824906205 607828069 /nfs/dbraw/zinc/82/80/69/607828069.db2.gz AYQFYBULCBTUIE-YPMHNXCESA-N -1 3 378.458 0.226 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824906205 607828070 /nfs/dbraw/zinc/82/80/70/607828070.db2.gz AYQFYBULCBTUIE-YPMHNXCESA-N -1 3 378.458 0.226 20 0 GCADHM COC(=O)[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826133658 607828331 /nfs/dbraw/zinc/82/83/31/607828331.db2.gz NSSJUQLRZSCXKN-ZDUSSCGKSA-N -1 3 379.442 0.525 20 0 GCADHM COC(=O)[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826133658 607828332 /nfs/dbraw/zinc/82/83/32/607828332.db2.gz NSSJUQLRZSCXKN-ZDUSSCGKSA-N -1 3 379.442 0.525 20 0 GCADHM COC(=O)[C@@]1(F)CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826125027 607828965 /nfs/dbraw/zinc/82/89/65/607828965.db2.gz ZMQHLZGBAWRFQL-OAHLLOKOSA-N -1 3 383.405 0.227 20 0 GCADHM COC(=O)[C@@]1(F)CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826125027 607828966 /nfs/dbraw/zinc/82/89/66/607828966.db2.gz ZMQHLZGBAWRFQL-OAHLLOKOSA-N -1 3 383.405 0.227 20 0 GCADHM O=S(=O)(CCN(CCO)Cc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484414 607830238 /nfs/dbraw/zinc/83/02/38/607830238.db2.gz BWSMDLFFFMAMQL-UHFFFAOYSA-N -1 3 388.453 0.530 20 0 GCADHM O=S(=O)(CCN(CCO)Cc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484414 607830239 /nfs/dbraw/zinc/83/02/39/607830239.db2.gz BWSMDLFFFMAMQL-UHFFFAOYSA-N -1 3 388.453 0.530 20 0 GCADHM COc1ncnc(N(C)C)c1NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826222084 607835750 /nfs/dbraw/zinc/83/57/50/607835750.db2.gz IAINZQCLNFRIRY-UHFFFAOYSA-N -1 3 399.419 0.360 20 0 GCADHM COc1ncnc(N(C)C)c1NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826222084 607835751 /nfs/dbraw/zinc/83/57/51/607835751.db2.gz IAINZQCLNFRIRY-UHFFFAOYSA-N -1 3 399.419 0.360 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826333339 607836152 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380.412 0.612 20 0 GCADHM Cc1ncc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000826330310 607852104 /nfs/dbraw/zinc/85/21/04/607852104.db2.gz OBXQDSIPVOBMAG-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1ncc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)s1 ZINC000826330310 607852105 /nfs/dbraw/zinc/85/21/05/607852105.db2.gz OBXQDSIPVOBMAG-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1ncc(S(=O)(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)s1 ZINC000826330245 607852219 /nfs/dbraw/zinc/85/22/19/607852219.db2.gz LOKXHZFIFJEHDZ-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1ncc(S(=O)(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)s1 ZINC000826330245 607852220 /nfs/dbraw/zinc/85/22/20/607852220.db2.gz LOKXHZFIFJEHDZ-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)[C@H]2C1 ZINC000826145772 607852629 /nfs/dbraw/zinc/85/26/29/607852629.db2.gz LWHFDXSSMDWOAJ-PMPSAXMXSA-N -1 3 393.469 0.965 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)[C@H]2C1 ZINC000826145772 607852630 /nfs/dbraw/zinc/85/26/30/607852630.db2.gz LWHFDXSSMDWOAJ-PMPSAXMXSA-N -1 3 393.469 0.965 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC000823973042 607852655 /nfs/dbraw/zinc/85/26/55/607852655.db2.gz HKTMTYZJXWUEJG-ZDUSSCGKSA-N -1 3 378.458 0.664 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC000823973042 607852656 /nfs/dbraw/zinc/85/26/56/607852656.db2.gz HKTMTYZJXWUEJG-ZDUSSCGKSA-N -1 3 378.458 0.664 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)[C@H]2C1 ZINC000826145537 607852704 /nfs/dbraw/zinc/85/27/04/607852704.db2.gz IKTJJHDRZYMJKM-XBFCOCLRSA-N -1 3 397.432 0.963 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)[C@H]2C1 ZINC000826146257 607852911 /nfs/dbraw/zinc/85/29/11/607852911.db2.gz SMDBGAKGKFYHML-WKPIXPDZSA-N -1 3 397.432 0.963 20 0 GCADHM CCc1noc(C)c1NC(=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000825772053 607859764 /nfs/dbraw/zinc/85/97/64/607859764.db2.gz YEDQEUFEGJWRFK-UHFFFAOYSA-N -1 3 385.388 0.287 20 0 GCADHM CCc1noc(C)c1NC(=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000825772053 607859765 /nfs/dbraw/zinc/85/97/65/607859765.db2.gz YEDQEUFEGJWRFK-UHFFFAOYSA-N -1 3 385.388 0.287 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000825621649 607860289 /nfs/dbraw/zinc/86/02/89/607860289.db2.gz WJQBJHBNSSFUOP-GXTWGEPZSA-N -1 3 388.428 0.823 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000825621649 607860290 /nfs/dbraw/zinc/86/02/90/607860290.db2.gz WJQBJHBNSSFUOP-GXTWGEPZSA-N -1 3 388.428 0.823 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2cccc(N(C)C)n2)cccc1-c1nnn[n-]1 ZINC000826241308 607860616 /nfs/dbraw/zinc/86/06/16/607860616.db2.gz YPKWIKKFKFGURB-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2cccc(N(C)C)n2)cccc1-c1nn[n-]n1 ZINC000826241308 607860617 /nfs/dbraw/zinc/86/06/17/607860617.db2.gz YPKWIKKFKFGURB-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2cccc(N(C)C)n2)c1-c1nnn[n-]1 ZINC000826298807 607860679 /nfs/dbraw/zinc/86/06/79/607860679.db2.gz HQUHNASLCIEZAF-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2cccc(N(C)C)n2)c1-c1nn[n-]n1 ZINC000826298807 607860680 /nfs/dbraw/zinc/86/06/80/607860680.db2.gz HQUHNASLCIEZAF-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)NC[C@]2(O)CCOC2)c1-c1nnn[n-]1 ZINC000826231436 607862066 /nfs/dbraw/zinc/86/20/66/607862066.db2.gz LFUICBBFILRZEP-MRXNPFEDSA-N -1 3 376.442 0.742 20 0 GCADHM Cn1cc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c(C(F)F)n1 ZINC000826358121 607862208 /nfs/dbraw/zinc/86/22/08/607862208.db2.gz FUUZYGNIOSQXDT-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM Cn1cc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c(C(F)F)n1 ZINC000826358121 607862209 /nfs/dbraw/zinc/86/22/09/607862209.db2.gz FUUZYGNIOSQXDT-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1sccc1-c1nnn[n-]1 ZINC000826482208 607876824 /nfs/dbraw/zinc/87/68/24/607876824.db2.gz WENKNGNJXGXESC-LLVKDONJSA-N -1 3 384.377 0.898 20 0 GCADHM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1sccc1-c1nn[n-]n1 ZINC000826482208 607876825 /nfs/dbraw/zinc/87/68/25/607876825.db2.gz WENKNGNJXGXESC-LLVKDONJSA-N -1 3 384.377 0.898 20 0 GCADHM C[C@H](Oc1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1)C(N)=O ZINC000824738869 607877136 /nfs/dbraw/zinc/87/71/36/607877136.db2.gz SVQREVZYBQSDMB-GXTWGEPZSA-N -1 3 399.407 0.938 20 0 GCADHM Cc1cnn(Cc2cc(C(=O)NCCNc3ncccc3-c3nnn[n-]3)no2)c1 ZINC000826320627 607886337 /nfs/dbraw/zinc/88/63/37/607886337.db2.gz XPTBFDBYHQANQZ-UHFFFAOYSA-N -1 3 394.399 0.645 20 0 GCADHM Cc1cnn(Cc2cc(C(=O)NCCNc3ncccc3-c3nn[n-]n3)no2)c1 ZINC000826320627 607886338 /nfs/dbraw/zinc/88/63/38/607886338.db2.gz XPTBFDBYHQANQZ-UHFFFAOYSA-N -1 3 394.399 0.645 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)co1 ZINC000825833585 607886822 /nfs/dbraw/zinc/88/68/22/607886822.db2.gz IPALGTWNCSPZJN-UHFFFAOYSA-N -1 3 376.398 0.987 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)co1 ZINC000825833585 607886823 /nfs/dbraw/zinc/88/68/23/607886823.db2.gz IPALGTWNCSPZJN-UHFFFAOYSA-N -1 3 376.398 0.987 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2ccc(-c3nnn[n-]3)c2)c1 ZINC000825875297 607891552 /nfs/dbraw/zinc/89/15/52/607891552.db2.gz IVUDMKKPYQUYNZ-UHFFFAOYSA-N -1 3 375.414 0.557 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2ccc(-c3nn[n-]n3)c2)c1 ZINC000825875297 607891553 /nfs/dbraw/zinc/89/15/53/607891553.db2.gz IVUDMKKPYQUYNZ-UHFFFAOYSA-N -1 3 375.414 0.557 20 0 GCADHM O=C1N[C@]2(CCOC2)C(=O)N1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826482965 607892737 /nfs/dbraw/zinc/89/27/37/607892737.db2.gz WHOVBFPBLJRZLU-HNNXBMFYSA-N -1 3 380.311 0.679 20 0 GCADHM O=C1N[C@]2(CCOC2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826482965 607892738 /nfs/dbraw/zinc/89/27/38/607892738.db2.gz WHOVBFPBLJRZLU-HNNXBMFYSA-N -1 3 380.311 0.679 20 0 GCADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000826424681 607892949 /nfs/dbraw/zinc/89/29/49/607892949.db2.gz YEFMKBCXCOCZCS-UHFFFAOYSA-N -1 3 395.423 0.457 20 0 GCADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000826424681 607892950 /nfs/dbraw/zinc/89/29/50/607892950.db2.gz YEFMKBCXCOCZCS-UHFFFAOYSA-N -1 3 395.423 0.457 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1=O ZINC000825176057 607893935 /nfs/dbraw/zinc/89/39/35/607893935.db2.gz DPNMDXYUAUOBKG-GOSISDBHSA-N -1 3 396.411 0.966 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1=O ZINC000825176057 607893936 /nfs/dbraw/zinc/89/39/36/607893936.db2.gz DPNMDXYUAUOBKG-GOSISDBHSA-N -1 3 396.411 0.966 20 0 GCADHM O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826409816 607894265 /nfs/dbraw/zinc/89/42/65/607894265.db2.gz QIMMPLPHQUKYEU-HNNXBMFYSA-N -1 3 391.775 0.170 20 0 GCADHM O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826409816 607894266 /nfs/dbraw/zinc/89/42/66/607894266.db2.gz QIMMPLPHQUKYEU-HNNXBMFYSA-N -1 3 391.775 0.170 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@H](S(N)(=O)=O)C1 ZINC000826268056 607898921 /nfs/dbraw/zinc/89/89/21/607898921.db2.gz IEXHZDACNCHAEJ-JTQLQIEISA-N -1 3 377.405 0.730 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@H](S(N)(=O)=O)C1 ZINC000826268056 607898922 /nfs/dbraw/zinc/89/89/22/607898922.db2.gz IEXHZDACNCHAEJ-JTQLQIEISA-N -1 3 377.405 0.730 20 0 GCADHM NS(=O)(=O)c1ccc(NCCc2cnc(C3CC3)nc2)c(-c2nnn[n-]2)c1 ZINC000826395331 607904234 /nfs/dbraw/zinc/90/42/34/607904234.db2.gz WYNPORBUHXNISQ-UHFFFAOYSA-N -1 3 386.441 0.836 20 0 GCADHM NS(=O)(=O)c1ccc(NCCc2cnc(C3CC3)nc2)c(-c2nn[n-]n2)c1 ZINC000826395331 607904235 /nfs/dbraw/zinc/90/42/35/607904235.db2.gz WYNPORBUHXNISQ-UHFFFAOYSA-N -1 3 386.441 0.836 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NC[C@@H](CO)Cc1ccco1 ZINC000826486449 607906432 /nfs/dbraw/zinc/90/64/32/607906432.db2.gz CPAOIMFJYRAXDI-ZDUSSCGKSA-N -1 3 377.426 0.730 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NC[C@@H](CO)Cc1ccco1 ZINC000826486449 607906433 /nfs/dbraw/zinc/90/64/33/607906433.db2.gz CPAOIMFJYRAXDI-ZDUSSCGKSA-N -1 3 377.426 0.730 20 0 GCADHM O=S(=O)(NC[C@H](CO)Cc1ccco1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826489539 607906655 /nfs/dbraw/zinc/90/66/55/607906655.db2.gz SVAOUWMJTRCDCV-SNVBAGLBSA-N -1 3 381.389 0.728 20 0 GCADHM O=S(=O)(NC[C@H](CO)Cc1ccco1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826489539 607906656 /nfs/dbraw/zinc/90/66/56/607906656.db2.gz SVAOUWMJTRCDCV-SNVBAGLBSA-N -1 3 381.389 0.728 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826363848 607907471 /nfs/dbraw/zinc/90/74/71/607907471.db2.gz DILRSRNXFMZDKW-SNVBAGLBSA-N -1 3 377.405 0.918 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826363848 607907472 /nfs/dbraw/zinc/90/74/72/607907472.db2.gz DILRSRNXFMZDKW-SNVBAGLBSA-N -1 3 377.405 0.918 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826160161 607907942 /nfs/dbraw/zinc/90/79/42/607907942.db2.gz HSVPBMBBFYZGIM-AWEZNQCLSA-N -1 3 396.473 0.322 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826160161 607907943 /nfs/dbraw/zinc/90/79/43/607907943.db2.gz HSVPBMBBFYZGIM-AWEZNQCLSA-N -1 3 396.473 0.322 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C1CCC1 ZINC000824640968 607912190 /nfs/dbraw/zinc/91/21/90/607912190.db2.gz QIRQXLPCBAHWJI-GHMZBOCLSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C1CCC1 ZINC000824640968 607912191 /nfs/dbraw/zinc/91/21/91/607912191.db2.gz QIRQXLPCBAHWJI-GHMZBOCLSA-N -1 3 378.458 0.838 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCCc1cnc(C2CC2)nc1 ZINC000826437776 607912726 /nfs/dbraw/zinc/91/27/26/607912726.db2.gz ASLZZXQHZKXAPE-UHFFFAOYSA-N -1 3 394.443 0.883 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCCc1cnc(C2CC2)nc1 ZINC000826437776 607912727 /nfs/dbraw/zinc/91/27/27/607912727.db2.gz ASLZZXQHZKXAPE-UHFFFAOYSA-N -1 3 394.443 0.883 20 0 GCADHM CCCS(=O)(=O)CC(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825341912 607914219 /nfs/dbraw/zinc/91/42/19/607914219.db2.gz MOKIOGDVWBRWTP-UHFFFAOYSA-N -1 3 382.398 0.521 20 0 GCADHM CCCS(=O)(=O)CC(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825341912 607914220 /nfs/dbraw/zinc/91/42/20/607914220.db2.gz MOKIOGDVWBRWTP-UHFFFAOYSA-N -1 3 382.398 0.521 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823980952 607914880 /nfs/dbraw/zinc/91/48/80/607914880.db2.gz HORLEWDGMBYBSC-HOTGVXAUSA-N -1 3 398.423 0.916 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823980952 607914881 /nfs/dbraw/zinc/91/48/81/607914881.db2.gz HORLEWDGMBYBSC-HOTGVXAUSA-N -1 3 398.423 0.916 20 0 GCADHM CCN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H](C)CS(C)(=O)=O ZINC000825434640 607922332 /nfs/dbraw/zinc/92/23/32/607922332.db2.gz CLBYAOUTGCAWFB-NSHDSACASA-N -1 3 381.458 0.908 20 0 GCADHM CCN(Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@@H](C)CS(C)(=O)=O ZINC000825434640 607922333 /nfs/dbraw/zinc/92/23/33/607922333.db2.gz CLBYAOUTGCAWFB-NSHDSACASA-N -1 3 381.458 0.908 20 0 GCADHM CCN1C(=O)[C@@H]2CN(Cc3cccc(C(=O)OC)c3-c3nnn[n-]3)CCN2C1=O ZINC000825444949 607924316 /nfs/dbraw/zinc/92/43/16/607924316.db2.gz TXAMHHLXTUENSS-ZDUSSCGKSA-N -1 3 399.411 0.122 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000826083365 607925268 /nfs/dbraw/zinc/92/52/68/607925268.db2.gz JSZBYHJFSMFTKA-GFCCVEGCSA-N -1 3 394.457 0.167 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)C1 ZINC000826083365 607925269 /nfs/dbraw/zinc/92/52/69/607925269.db2.gz JSZBYHJFSMFTKA-GFCCVEGCSA-N -1 3 394.457 0.167 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC1(CS(C)(=O)=O)CCOCC1 ZINC000826358569 607925495 /nfs/dbraw/zinc/92/54/95/607925495.db2.gz YXOVPWLEABUXOJ-UHFFFAOYSA-N -1 3 383.430 0.203 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC1(CS(C)(=O)=O)CCOCC1 ZINC000826358569 607925496 /nfs/dbraw/zinc/92/54/96/607925496.db2.gz YXOVPWLEABUXOJ-UHFFFAOYSA-N -1 3 383.430 0.203 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823981050 607926088 /nfs/dbraw/zinc/92/60/88/607926088.db2.gz KGWGJQZBQKRCMA-MRXNPFEDSA-N -1 3 398.471 0.748 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823981050 607926089 /nfs/dbraw/zinc/92/60/89/607926089.db2.gz KGWGJQZBQKRCMA-MRXNPFEDSA-N -1 3 398.471 0.748 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824177738 607929381 /nfs/dbraw/zinc/92/93/81/607929381.db2.gz JTZNRBYLVPHIIW-UHFFFAOYSA-N -1 3 393.835 0.737 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824177738 607929382 /nfs/dbraw/zinc/92/93/82/607929382.db2.gz JTZNRBYLVPHIIW-UHFFFAOYSA-N -1 3 393.835 0.737 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826364310 607929579 /nfs/dbraw/zinc/92/95/79/607929579.db2.gz RLUMUBFRDZASSF-LLVKDONJSA-N -1 3 384.375 0.694 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826364310 607929580 /nfs/dbraw/zinc/92/95/80/607929580.db2.gz RLUMUBFRDZASSF-LLVKDONJSA-N -1 3 384.375 0.694 20 0 GCADHM O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826421299 607929618 /nfs/dbraw/zinc/92/96/18/607929618.db2.gz ARTNWIXQHMLQMF-GFCCVEGCSA-N -1 3 387.429 0.763 20 0 GCADHM O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826421299 607929619 /nfs/dbraw/zinc/92/96/19/607929619.db2.gz ARTNWIXQHMLQMF-GFCCVEGCSA-N -1 3 387.429 0.763 20 0 GCADHM C[C@]1(c2cccnc2)NC(=O)N(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824852295 607930210 /nfs/dbraw/zinc/93/02/10/607930210.db2.gz JVQNSTHJPHPPDW-KBXCAEBGSA-N -1 3 379.380 0.762 20 0 GCADHM C[C@]1(c2cccnc2)NC(=O)N(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824852295 607930211 /nfs/dbraw/zinc/93/02/11/607930211.db2.gz JVQNSTHJPHPPDW-KBXCAEBGSA-N -1 3 379.380 0.762 20 0 GCADHM C[C@@]1(c2cccnc2)NC(=O)N(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824852296 607930329 /nfs/dbraw/zinc/93/03/29/607930329.db2.gz JVQNSTHJPHPPDW-KDOFPFPSSA-N -1 3 379.380 0.762 20 0 GCADHM C[C@@]1(c2cccnc2)NC(=O)N(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824852296 607930330 /nfs/dbraw/zinc/93/03/30/607930330.db2.gz JVQNSTHJPHPPDW-KDOFPFPSSA-N -1 3 379.380 0.762 20 0 GCADHM CCCCN(CCO)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825284873 607932242 /nfs/dbraw/zinc/93/22/42/607932242.db2.gz BDHZCKPOLPSZPU-GFCCVEGCSA-N -1 3 396.473 0.155 20 0 GCADHM CCCCN(CCO)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825284873 607932243 /nfs/dbraw/zinc/93/22/43/607932243.db2.gz BDHZCKPOLPSZPU-GFCCVEGCSA-N -1 3 396.473 0.155 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825658465 607937119 /nfs/dbraw/zinc/93/71/19/607937119.db2.gz FNNNFCUGWPSWHX-QMMMGPOBSA-N -1 3 377.423 0.107 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825658465 607937120 /nfs/dbraw/zinc/93/71/20/607937120.db2.gz FNNNFCUGWPSWHX-QMMMGPOBSA-N -1 3 377.423 0.107 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824449002 607937343 /nfs/dbraw/zinc/93/73/43/607937343.db2.gz LXOTYVQFQJISBA-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824449002 607937344 /nfs/dbraw/zinc/93/73/44/607937344.db2.gz LXOTYVQFQJISBA-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826355406 607937664 /nfs/dbraw/zinc/93/76/64/607937664.db2.gz XZJFDGKCUMYCDM-UHFFFAOYSA-N -1 3 383.387 0.667 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCC(OCCO)CC1 ZINC000826494743 607938340 /nfs/dbraw/zinc/93/83/40/607938340.db2.gz NMPVATHSFRAQCI-UHFFFAOYSA-N -1 3 387.849 0.682 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825341376 607947009 /nfs/dbraw/zinc/94/70/09/607947009.db2.gz BCRRRAVJVRFFOB-AWEZNQCLSA-N -1 3 390.469 0.960 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825341376 607947010 /nfs/dbraw/zinc/94/70/10/607947010.db2.gz BCRRRAVJVRFFOB-AWEZNQCLSA-N -1 3 390.469 0.960 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826223646 607951830 /nfs/dbraw/zinc/95/18/30/607951830.db2.gz UWXIBNQMQWFGAS-CYBMUJFWSA-N -1 3 376.442 0.570 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826223646 607951831 /nfs/dbraw/zinc/95/18/31/607951831.db2.gz UWXIBNQMQWFGAS-CYBMUJFWSA-N -1 3 376.442 0.570 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826478143 607952783 /nfs/dbraw/zinc/95/27/83/607952783.db2.gz VGKQFDMWFSEZPH-OKILXGFUSA-N -1 3 380.408 0.931 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826478143 607952784 /nfs/dbraw/zinc/95/27/84/607952784.db2.gz VGKQFDMWFSEZPH-OKILXGFUSA-N -1 3 380.408 0.931 20 0 GCADHM O=S(=O)(CCN1CCN([C@H]2CCOC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826484990 607957935 /nfs/dbraw/zinc/95/79/35/607957935.db2.gz YCLWPWDXZBDSEF-HNNXBMFYSA-N -1 3 392.485 0.047 20 0 GCADHM O=S(=O)(CCN1CCN([C@H]2CCOC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826484990 607957936 /nfs/dbraw/zinc/95/79/36/607957936.db2.gz YCLWPWDXZBDSEF-HNNXBMFYSA-N -1 3 392.485 0.047 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1(C(N)=O)CCCC1 ZINC000825946051 607958392 /nfs/dbraw/zinc/95/83/92/607958392.db2.gz GQDWNQPPPCSGDL-UHFFFAOYSA-N -1 3 378.458 0.370 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1(C(N)=O)CCCC1 ZINC000825946051 607958393 /nfs/dbraw/zinc/95/83/93/607958393.db2.gz GQDWNQPPPCSGDL-UHFFFAOYSA-N -1 3 378.458 0.370 20 0 GCADHM O=C(COC(=O)[C@@H]1CCc2n[nH]cc2C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826415426 607960385 /nfs/dbraw/zinc/96/03/85/607960385.db2.gz FLUSRTWTHHEYKO-CYBMUJFWSA-N -1 3 381.396 0.554 20 0 GCADHM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)n1ncc(-c3nnn[n-]3)c1N)C2=O ZINC000824875201 607960930 /nfs/dbraw/zinc/96/09/30/607960930.db2.gz JONFANLFMCGEJQ-PHSVNERMSA-N -1 3 387.404 0.032 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)COC(=O)COC ZINC000826156928 607964385 /nfs/dbraw/zinc/96/43/85/607964385.db2.gz ADDKOPFDLJJKOE-UHFFFAOYSA-N -1 3 380.405 0.450 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)COC(=O)COC ZINC000826156928 607964386 /nfs/dbraw/zinc/96/43/86/607964386.db2.gz ADDKOPFDLJJKOE-UHFFFAOYSA-N -1 3 380.405 0.450 20 0 GCADHM S=C(NC[C@@H]1CCCCO1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826511398 607966860 /nfs/dbraw/zinc/96/68/60/607966860.db2.gz OAQZZSGVJUJSJG-AWEZNQCLSA-N -1 3 388.501 0.827 20 0 GCADHM S=C(NC[C@@H]1CCCCO1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826511398 607966861 /nfs/dbraw/zinc/96/68/61/607966861.db2.gz OAQZZSGVJUJSJG-AWEZNQCLSA-N -1 3 388.501 0.827 20 0 GCADHM S=C(NC[C@@H]1CCCCO1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826511412 607966936 /nfs/dbraw/zinc/96/69/36/607966936.db2.gz OLZKJPXAOPLWPK-ZDUSSCGKSA-N -1 3 388.501 0.827 20 0 GCADHM S=C(NC[C@@H]1CCCCO1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826511412 607966937 /nfs/dbraw/zinc/96/69/37/607966937.db2.gz OLZKJPXAOPLWPK-ZDUSSCGKSA-N -1 3 388.501 0.827 20 0 GCADHM S=C(NC[C@H]1CCCCO1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826511411 607967028 /nfs/dbraw/zinc/96/70/28/607967028.db2.gz OLZKJPXAOPLWPK-CYBMUJFWSA-N -1 3 388.501 0.827 20 0 GCADHM S=C(NC[C@H]1CCCCO1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826511411 607967029 /nfs/dbraw/zinc/96/70/29/607967029.db2.gz OLZKJPXAOPLWPK-CYBMUJFWSA-N -1 3 388.501 0.827 20 0 GCADHM O=S(=O)(c1ccccn1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826496308 607970815 /nfs/dbraw/zinc/97/08/15/607970815.db2.gz RUIKEJJLKPAMDB-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826489032 607971370 /nfs/dbraw/zinc/97/13/70/607971370.db2.gz GFXHKHTXGBYAPS-UKRRQHHQSA-N -1 3 375.385 0.942 20 0 GCADHM O=c1n(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)nc2cnccn21 ZINC000826502195 607971399 /nfs/dbraw/zinc/97/13/99/607971399.db2.gz YLSOSAIYHJSLQX-UHFFFAOYSA-N -1 3 393.411 0.572 20 0 GCADHM O=c1n(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)nc2cnccn21 ZINC000826502195 607971400 /nfs/dbraw/zinc/97/14/00/607971400.db2.gz YLSOSAIYHJSLQX-UHFFFAOYSA-N -1 3 393.411 0.572 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cn1 ZINC000825799510 607971744 /nfs/dbraw/zinc/97/17/44/607971744.db2.gz NDMPFVVOSKPHGJ-UHFFFAOYSA-N -1 3 398.402 0.754 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cn1 ZINC000825799510 607971745 /nfs/dbraw/zinc/97/17/45/607971745.db2.gz NDMPFVVOSKPHGJ-UHFFFAOYSA-N -1 3 398.402 0.754 20 0 GCADHM CCS(=O)(=O)CCN(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825659359 607979262 /nfs/dbraw/zinc/97/92/62/607979262.db2.gz QLVHNAXEPTXECL-UHFFFAOYSA-N -1 3 382.446 0.322 20 0 GCADHM COCC(=O)N(C)CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826147704 607979553 /nfs/dbraw/zinc/97/95/53/607979553.db2.gz IONFRIROENZNPX-UHFFFAOYSA-N -1 3 387.356 0.065 20 0 GCADHM COCC(=O)N(C)CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826147704 607979554 /nfs/dbraw/zinc/97/95/54/607979554.db2.gz IONFRIROENZNPX-UHFFFAOYSA-N -1 3 387.356 0.065 20 0 GCADHM CCn1cc(C(=O)C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825799914 607980305 /nfs/dbraw/zinc/98/03/05/607980305.db2.gz WOLFHVZISCPKRP-UHFFFAOYSA-N -1 3 383.368 0.125 20 0 GCADHM CCn1cc(C(=O)C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825799914 607980306 /nfs/dbraw/zinc/98/03/06/607980306.db2.gz WOLFHVZISCPKRP-UHFFFAOYSA-N -1 3 383.368 0.125 20 0 GCADHM C[C@H](Oc1cccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000824745093 607981486 /nfs/dbraw/zinc/98/14/86/607981486.db2.gz MCYAOTDXTXEDMO-JSGCOSHPSA-N -1 3 399.407 0.938 20 0 GCADHM COc1ccc(CSCC(=O)N[C@@H](C)C(=O)N(C)C)cc1-c1nnn[n-]1 ZINC000826207666 607984453 /nfs/dbraw/zinc/98/44/53/607984453.db2.gz XLNSXMUGPGPRBS-JTQLQIEISA-N -1 3 378.458 0.701 20 0 GCADHM COc1ccc(CSCC(=O)N[C@@H](C)C(=O)N(C)C)cc1-c1nn[n-]n1 ZINC000826207666 607984454 /nfs/dbraw/zinc/98/44/54/607984454.db2.gz XLNSXMUGPGPRBS-JTQLQIEISA-N -1 3 378.458 0.701 20 0 GCADHM CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000825658549 607985257 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CCc1c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cnn1-c1ccccn1 ZINC000825686975 607991315 /nfs/dbraw/zinc/99/13/15/607991315.db2.gz CRELTXDETPCIFC-UHFFFAOYSA-N -1 3 394.399 0.646 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825663486 607991927 /nfs/dbraw/zinc/99/19/27/607991927.db2.gz PYUXMJWSPBMNBF-CQSZACIVSA-N -1 3 378.458 0.339 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825663486 607991928 /nfs/dbraw/zinc/99/19/28/607991928.db2.gz PYUXMJWSPBMNBF-CQSZACIVSA-N -1 3 378.458 0.339 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)[C@@H]1CCNC1=O ZINC000824052167 607992548 /nfs/dbraw/zinc/99/25/48/607992548.db2.gz LVWFPGHORZKOLF-WCBMZHEXSA-N -1 3 375.458 0.564 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)[C@@H]1CCNC1=O ZINC000824052167 607992549 /nfs/dbraw/zinc/99/25/49/607992549.db2.gz LVWFPGHORZKOLF-WCBMZHEXSA-N -1 3 375.458 0.564 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCCC2(C1)OCCO2 ZINC000826451907 607995995 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CCCN1C(=O)C(=O)N(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000825323386 608054868 /nfs/dbraw/zinc/05/48/68/608054868.db2.gz VHQHJSQSKPRKRS-AWEZNQCLSA-N -1 3 399.411 0.398 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824315655 608056233 /nfs/dbraw/zinc/05/62/33/608056233.db2.gz SEKYANDQTDEOEG-HNNXBMFYSA-N -1 3 381.458 0.995 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824315655 608056234 /nfs/dbraw/zinc/05/62/34/608056234.db2.gz SEKYANDQTDEOEG-HNNXBMFYSA-N -1 3 381.458 0.995 20 0 GCADHM COCCN(C)S(=O)(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826157721 608056310 /nfs/dbraw/zinc/05/63/10/608056310.db2.gz IJOPUOSJJJQNAL-CQSZACIVSA-N -1 3 382.446 0.063 20 0 GCADHM COCCN(C)S(=O)(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826157721 608056311 /nfs/dbraw/zinc/05/63/11/608056311.db2.gz IJOPUOSJJJQNAL-CQSZACIVSA-N -1 3 382.446 0.063 20 0 GCADHM CCOC(=O)CCS(=O)(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825511917 608056445 /nfs/dbraw/zinc/05/64/45/608056445.db2.gz KTKUGKWBKRUZHW-CQSZACIVSA-N -1 3 395.441 0.523 20 0 GCADHM CCOC(=O)CCS(=O)(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825511917 608056446 /nfs/dbraw/zinc/05/64/46/608056446.db2.gz KTKUGKWBKRUZHW-CQSZACIVSA-N -1 3 395.441 0.523 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826484666 608056636 /nfs/dbraw/zinc/05/66/36/608056636.db2.gz KWWQIXPAHPAYDY-HUUCEWRRSA-N -1 3 379.442 0.749 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826484666 608056637 /nfs/dbraw/zinc/05/66/37/608056637.db2.gz KWWQIXPAHPAYDY-HUUCEWRRSA-N -1 3 379.442 0.749 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826103290 608057172 /nfs/dbraw/zinc/05/71/72/608057172.db2.gz FUPPASZHGJIUPL-SECBINFHSA-N -1 3 375.357 0.650 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826103290 608057173 /nfs/dbraw/zinc/05/71/73/608057173.db2.gz FUPPASZHGJIUPL-SECBINFHSA-N -1 3 375.357 0.650 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824464526 608062377 /nfs/dbraw/zinc/06/23/77/608062377.db2.gz HNBDZQHOROCPRT-SWLSCSKDSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824464526 608062378 /nfs/dbraw/zinc/06/23/78/608062378.db2.gz HNBDZQHOROCPRT-SWLSCSKDSA-N -1 3 383.416 0.630 20 0 GCADHM CCS(=O)(=O)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825662715 608062601 /nfs/dbraw/zinc/06/26/01/608062601.db2.gz AYQRUFDCJWZBLO-CQSZACIVSA-N -1 3 394.457 0.384 20 0 GCADHM CCS(=O)(=O)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825662715 608062602 /nfs/dbraw/zinc/06/26/02/608062602.db2.gz AYQRUFDCJWZBLO-CQSZACIVSA-N -1 3 394.457 0.384 20 0 GCADHM O=C(N[C@H]1CCc2ncnn2C1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826432616 608063844 /nfs/dbraw/zinc/06/38/44/608063844.db2.gz GMGVPUQEMPEBJK-GJZGRUSLSA-N -1 3 395.427 0.556 20 0 GCADHM O=C(N[C@H]1CCc2ncnn2C1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826432616 608063845 /nfs/dbraw/zinc/06/38/45/608063845.db2.gz GMGVPUQEMPEBJK-GJZGRUSLSA-N -1 3 395.427 0.556 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000825035278 608065378 /nfs/dbraw/zinc/06/53/78/608065378.db2.gz ZHQZYXXEMBLZTF-HOTGVXAUSA-N -1 3 399.455 0.961 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000825035278 608065379 /nfs/dbraw/zinc/06/53/79/608065379.db2.gz ZHQZYXXEMBLZTF-HOTGVXAUSA-N -1 3 399.455 0.961 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824305972 608066034 /nfs/dbraw/zinc/06/60/34/608066034.db2.gz YPDDKTMRKVLOFL-DOMZBBRYSA-N -1 3 387.444 0.863 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824305972 608066035 /nfs/dbraw/zinc/06/60/35/608066035.db2.gz YPDDKTMRKVLOFL-DOMZBBRYSA-N -1 3 387.444 0.863 20 0 GCADHM C[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC000824419800 608066156 /nfs/dbraw/zinc/06/61/56/608066156.db2.gz BRHNIVGQOKLMOU-SMDDNHRTSA-N -1 3 394.457 0.383 20 0 GCADHM C[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC000824419800 608066157 /nfs/dbraw/zinc/06/61/57/608066157.db2.gz BRHNIVGQOKLMOU-SMDDNHRTSA-N -1 3 394.457 0.383 20 0 GCADHM O=C(CN1CCN(c2ncccc2F)CC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826411012 608066860 /nfs/dbraw/zinc/06/68/60/608066860.db2.gz HSWAFUKCMOVUIL-UHFFFAOYSA-N -1 3 396.430 0.839 20 0 GCADHM O=C(CN1CCN(c2ncccc2F)CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826411012 608066861 /nfs/dbraw/zinc/06/68/61/608066861.db2.gz HSWAFUKCMOVUIL-UHFFFAOYSA-N -1 3 396.430 0.839 20 0 GCADHM O=C(CN1CCN(c2ncccc2F)CC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826411341 608066944 /nfs/dbraw/zinc/06/69/44/608066944.db2.gz VKXAKPICAWHPSM-UHFFFAOYSA-N -1 3 396.430 0.839 20 0 GCADHM O=C(CN1CCN(c2ncccc2F)CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826411341 608066945 /nfs/dbraw/zinc/06/69/45/608066945.db2.gz VKXAKPICAWHPSM-UHFFFAOYSA-N -1 3 396.430 0.839 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncccc2F)CC1 ZINC000826388813 608066969 /nfs/dbraw/zinc/06/69/69/608066969.db2.gz JTSVOWQPIFFYQX-OAHLLOKOSA-N -1 3 382.403 0.749 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncccc2F)CC1 ZINC000826388813 608066970 /nfs/dbraw/zinc/06/69/70/608066970.db2.gz JTSVOWQPIFFYQX-OAHLLOKOSA-N -1 3 382.403 0.749 20 0 GCADHM COCCS(=O)(=O)CCCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826163550 608068705 /nfs/dbraw/zinc/06/87/05/608068705.db2.gz ZJBYXNYQOVRTIC-MRXNPFEDSA-N -1 3 395.485 0.691 20 0 GCADHM COCCS(=O)(=O)CCCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826163550 608068706 /nfs/dbraw/zinc/06/87/06/608068706.db2.gz ZJBYXNYQOVRTIC-MRXNPFEDSA-N -1 3 395.485 0.691 20 0 GCADHM Cn1nc2c(c1NC(=O)C(=O)NCc1ccc(-c3nnn[n-]3)cc1F)CCC2 ZINC000826365872 608074262 /nfs/dbraw/zinc/07/42/62/608074262.db2.gz HSCQZOCDHUDPSL-UHFFFAOYSA-N -1 3 384.375 0.483 20 0 GCADHM Cn1nc2c(c1NC(=O)C(=O)NCc1ccc(-c3nn[n-]n3)cc1F)CCC2 ZINC000826365872 608074263 /nfs/dbraw/zinc/07/42/63/608074263.db2.gz HSCQZOCDHUDPSL-UHFFFAOYSA-N -1 3 384.375 0.483 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1c2c(nn1C)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000824469836 608074434 /nfs/dbraw/zinc/07/44/34/608074434.db2.gz CYGLYKLDRUWZPA-SNVBAGLBSA-N -1 3 380.412 0.905 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1c2c(nn1C)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000824469836 608074435 /nfs/dbraw/zinc/07/44/35/608074435.db2.gz CYGLYKLDRUWZPA-SNVBAGLBSA-N -1 3 380.412 0.905 20 0 GCADHM CCn1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000825799070 608074471 /nfs/dbraw/zinc/07/44/71/608074471.db2.gz BYBKFLDLFZPRCS-HNNXBMFYSA-N -1 3 396.411 0.622 20 0 GCADHM CCn1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000825799070 608074472 /nfs/dbraw/zinc/07/44/72/608074472.db2.gz BYBKFLDLFZPRCS-HNNXBMFYSA-N -1 3 396.411 0.622 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC000826269539 608074796 /nfs/dbraw/zinc/07/47/96/608074796.db2.gz OXZHESDSIPNFPE-CQSZACIVSA-N -1 3 396.411 0.447 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC000826269539 608074797 /nfs/dbraw/zinc/07/47/97/608074797.db2.gz OXZHESDSIPNFPE-CQSZACIVSA-N -1 3 396.411 0.447 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nn1C ZINC000826269707 608074857 /nfs/dbraw/zinc/07/48/57/608074857.db2.gz ULIXRAOVDINKFP-CQSZACIVSA-N -1 3 396.411 0.447 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nn1C ZINC000826269707 608074858 /nfs/dbraw/zinc/07/48/58/608074858.db2.gz ULIXRAOVDINKFP-CQSZACIVSA-N -1 3 396.411 0.447 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000826451990 608075124 /nfs/dbraw/zinc/07/51/24/608075124.db2.gz DTMPXYKUZCKBQO-UHFFFAOYSA-N -1 3 396.386 0.688 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000826451990 608075125 /nfs/dbraw/zinc/07/51/25/608075125.db2.gz DTMPXYKUZCKBQO-UHFFFAOYSA-N -1 3 396.386 0.688 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000824906183 608076891 /nfs/dbraw/zinc/07/68/91/608076891.db2.gz AXKRRAPXZRIUSX-NQBHXWOUSA-N -1 3 395.441 0.644 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000824906183 608076892 /nfs/dbraw/zinc/07/68/92/608076892.db2.gz AXKRRAPXZRIUSX-NQBHXWOUSA-N -1 3 395.441 0.644 20 0 GCADHM O=C(CNC(=O)c1ccncc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826432752 608081156 /nfs/dbraw/zinc/08/11/56/608081156.db2.gz JTJVGRLMFYMMIS-INIZCTEOSA-N -1 3 393.407 0.592 20 0 GCADHM O=C(CNC(=O)c1ccncc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826432752 608081157 /nfs/dbraw/zinc/08/11/57/608081157.db2.gz JTJVGRLMFYMMIS-INIZCTEOSA-N -1 3 393.407 0.592 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC000826392786 608082207 /nfs/dbraw/zinc/08/22/07/608082207.db2.gz NBYVYRKSNJRLPE-HNNXBMFYSA-N -1 3 379.380 0.574 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC000826392786 608082208 /nfs/dbraw/zinc/08/22/08/608082208.db2.gz NBYVYRKSNJRLPE-HNNXBMFYSA-N -1 3 379.380 0.574 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823988344 608082275 /nfs/dbraw/zinc/08/22/75/608082275.db2.gz HJOWVDGAKXBTSH-LSDHHAIUSA-N -1 3 388.453 0.688 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823988344 608082276 /nfs/dbraw/zinc/08/22/76/608082276.db2.gz HJOWVDGAKXBTSH-LSDHHAIUSA-N -1 3 388.453 0.688 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)CC2 ZINC000826337228 608083445 /nfs/dbraw/zinc/08/34/45/608083445.db2.gz HURAQDRFMTZHRZ-HZPDHXFCSA-N -1 3 394.439 0.929 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)CC2 ZINC000826337228 608083446 /nfs/dbraw/zinc/08/34/46/608083446.db2.gz HURAQDRFMTZHRZ-HZPDHXFCSA-N -1 3 394.439 0.929 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826398841 608084311 /nfs/dbraw/zinc/08/43/11/608084311.db2.gz HEEWSEYMAJIAGJ-KGLIPLIRSA-N -1 3 377.426 0.201 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826398841 608084312 /nfs/dbraw/zinc/08/43/12/608084312.db2.gz HEEWSEYMAJIAGJ-KGLIPLIRSA-N -1 3 377.426 0.201 20 0 GCADHM O=C(CNC(=O)c1ccccn1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826433114 608086624 /nfs/dbraw/zinc/08/66/24/608086624.db2.gz VEPLHWIAISXBSB-MRXNPFEDSA-N -1 3 393.407 0.592 20 0 GCADHM O=C(CNC(=O)c1ccccn1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826433114 608086625 /nfs/dbraw/zinc/08/66/25/608086625.db2.gz VEPLHWIAISXBSB-MRXNPFEDSA-N -1 3 393.407 0.592 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824448227 608086776 /nfs/dbraw/zinc/08/67/76/608086776.db2.gz HLUBHGZKCTYVOS-FZMZJTMJSA-N -1 3 379.442 0.447 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824448227 608086777 /nfs/dbraw/zinc/08/67/77/608086777.db2.gz HLUBHGZKCTYVOS-FZMZJTMJSA-N -1 3 379.442 0.447 20 0 GCADHM CN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c2cccnc21 ZINC000826038144 608087138 /nfs/dbraw/zinc/08/71/38/608087138.db2.gz IQGRQNHGOCLTJQ-UHFFFAOYSA-N -1 3 385.453 0.992 20 0 GCADHM CN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c2cccnc21 ZINC000826038144 608087139 /nfs/dbraw/zinc/08/71/39/608087139.db2.gz IQGRQNHGOCLTJQ-UHFFFAOYSA-N -1 3 385.453 0.992 20 0 GCADHM Cc1ccnc2nc(C(=O)N3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)nn21 ZINC000826314917 608089645 /nfs/dbraw/zinc/08/96/45/608089645.db2.gz RNNQGVADATUSDM-CQSZACIVSA-N -1 3 391.395 0.827 20 0 GCADHM Cc1ccnc2nc(C(=O)N3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)nn21 ZINC000826314917 608089646 /nfs/dbraw/zinc/08/96/46/608089646.db2.gz RNNQGVADATUSDM-CQSZACIVSA-N -1 3 391.395 0.827 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)N1C(=O)CCC1=O ZINC000824040646 608089827 /nfs/dbraw/zinc/08/98/27/608089827.db2.gz RTVYQAQQSCYDCM-SMDDNHRTSA-N -1 3 384.396 0.304 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)N1C(=O)CCC1=O ZINC000824040646 608089828 /nfs/dbraw/zinc/08/98/28/608089828.db2.gz RTVYQAQQSCYDCM-SMDDNHRTSA-N -1 3 384.396 0.304 20 0 GCADHM c1nc(-c2ccccn2)nn1CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826518877 608096868 /nfs/dbraw/zinc/09/68/68/608096868.db2.gz BBTYNNPWABNPNO-UHFFFAOYSA-N -1 3 389.427 0.695 20 0 GCADHM c1nc(-c2ccccn2)nn1CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826518877 608096869 /nfs/dbraw/zinc/09/68/69/608096869.db2.gz BBTYNNPWABNPNO-UHFFFAOYSA-N -1 3 389.427 0.695 20 0 GCADHM NC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000826392315 608101395 /nfs/dbraw/zinc/10/13/95/608101395.db2.gz UJIWNDUUKODPCE-QMMMGPOBSA-N -1 3 379.402 0.201 20 0 GCADHM NC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000826392315 608101396 /nfs/dbraw/zinc/10/13/96/608101396.db2.gz UJIWNDUUKODPCE-QMMMGPOBSA-N -1 3 379.402 0.201 20 0 GCADHM O=C(COC(=O)c1ccc2n[nH]c(=O)n2c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826416389 608107913 /nfs/dbraw/zinc/10/79/13/608107913.db2.gz XGGFFKBCKKIBCQ-UHFFFAOYSA-N -1 3 380.324 0.411 20 0 GCADHM O=C(COC(=O)c1ccc2n[nH]c(=O)n2c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826416389 608107914 /nfs/dbraw/zinc/10/79/14/608107914.db2.gz XGGFFKBCKKIBCQ-UHFFFAOYSA-N -1 3 380.324 0.411 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000824968506 608108265 /nfs/dbraw/zinc/10/82/65/608108265.db2.gz PYLWHRJAMKIZCB-SNVBAGLBSA-N -1 3 397.361 0.900 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000824968506 608108266 /nfs/dbraw/zinc/10/82/66/608108266.db2.gz PYLWHRJAMKIZCB-SNVBAGLBSA-N -1 3 397.361 0.900 20 0 GCADHM Cc1nc(SCC(=O)N2CC[C@@H](NC(N)=O)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327571 608108732 /nfs/dbraw/zinc/10/87/32/608108732.db2.gz MRJYLVSHOLJMRU-LLVKDONJSA-N -1 3 390.473 0.548 20 0 GCADHM Cc1nc(SCC(=O)N2CC[C@@H](NC(N)=O)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327571 608108733 /nfs/dbraw/zinc/10/87/33/608108733.db2.gz MRJYLVSHOLJMRU-LLVKDONJSA-N -1 3 390.473 0.548 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825897498 608111629 /nfs/dbraw/zinc/11/16/29/608111629.db2.gz HRKRPWYWGDNNGO-UHFFFAOYSA-N -1 3 387.487 0.452 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825897498 608111630 /nfs/dbraw/zinc/11/16/30/608111630.db2.gz HRKRPWYWGDNNGO-UHFFFAOYSA-N -1 3 387.487 0.452 20 0 GCADHM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CN1 ZINC000826479003 608111876 /nfs/dbraw/zinc/11/18/76/608111876.db2.gz NYDHKPCCZBXKHU-GXFFZTMASA-N -1 3 394.432 0.685 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826300850 608111966 /nfs/dbraw/zinc/11/19/66/608111966.db2.gz IPKATNWYJYTTHR-UHFFFAOYSA-N -1 3 387.487 0.619 20 0 GCADHM Cc1cccc(S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826300850 608111967 /nfs/dbraw/zinc/11/19/67/608111967.db2.gz IPKATNWYJYTTHR-UHFFFAOYSA-N -1 3 387.487 0.619 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000824729409 608116157 /nfs/dbraw/zinc/11/61/57/608116157.db2.gz JSYPUVGRKQXJHN-NSHDSACASA-N -1 3 381.458 0.916 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825897238 608118358 /nfs/dbraw/zinc/11/83/58/608118358.db2.gz DWLNPAJFYWDVQW-UHFFFAOYSA-N -1 3 398.420 0.226 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825897238 608118359 /nfs/dbraw/zinc/11/83/59/608118359.db2.gz DWLNPAJFYWDVQW-UHFFFAOYSA-N -1 3 398.420 0.226 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825897664 608118496 /nfs/dbraw/zinc/11/84/96/608118496.db2.gz KJIKTNNALGOIEP-UHFFFAOYSA-N -1 3 380.430 0.087 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825897664 608118497 /nfs/dbraw/zinc/11/84/97/608118497.db2.gz KJIKTNNALGOIEP-UHFFFAOYSA-N -1 3 380.430 0.087 20 0 GCADHM C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824450734 608124745 /nfs/dbraw/zinc/12/47/45/608124745.db2.gz ZBAMMEFUJDEIKO-CTGLIMNLSA-N -1 3 397.404 0.931 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NC[C@@H]1CCCCS1(=O)=O ZINC000826441838 608125566 /nfs/dbraw/zinc/12/55/66/608125566.db2.gz XMDUICZSHFSQGN-LBPRGKRZSA-N -1 3 382.421 0.772 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NC[C@@H]1CCCCS1(=O)=O ZINC000826441838 608125567 /nfs/dbraw/zinc/12/55/67/608125567.db2.gz XMDUICZSHFSQGN-LBPRGKRZSA-N -1 3 382.421 0.772 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC3(COC(=O)N3)CC2)c(-c2nnn[n-]2)c1C ZINC000826342105 608126662 /nfs/dbraw/zinc/12/66/62/608126662.db2.gz YFEDUCIHSAAFJJ-SNVBAGLBSA-N -1 3 389.416 0.978 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC3(COC(=O)N3)CC2)c(-c2nn[n-]n2)c1C ZINC000826342105 608126663 /nfs/dbraw/zinc/12/66/63/608126663.db2.gz YFEDUCIHSAAFJJ-SNVBAGLBSA-N -1 3 389.416 0.978 20 0 GCADHM C[C@H](C[S@](C)=O)NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824450739 608130160 /nfs/dbraw/zinc/13/01/60/608130160.db2.gz ZECQEEJOGPDIJT-UTFOLTNUSA-N -1 3 378.458 0.717 20 0 GCADHM C[C@H](C[S@](C)=O)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824450739 608130161 /nfs/dbraw/zinc/13/01/61/608130161.db2.gz ZECQEEJOGPDIJT-UTFOLTNUSA-N -1 3 378.458 0.717 20 0 GCADHM C[C@H](C[S@](C)=O)NC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824448721 608130248 /nfs/dbraw/zinc/13/02/48/608130248.db2.gz KUSHRZOHJLJIDJ-QWVSSGJLSA-N -1 3 391.501 0.855 20 0 GCADHM C[C@H](C[S@](C)=O)NC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824448721 608130249 /nfs/dbraw/zinc/13/02/49/608130249.db2.gz KUSHRZOHJLJIDJ-QWVSSGJLSA-N -1 3 391.501 0.855 20 0 GCADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824448483 608130273 /nfs/dbraw/zinc/13/02/73/608130273.db2.gz ILRJVBLYICGRSC-PFUSGODGSA-N -1 3 391.501 0.461 20 0 GCADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824448483 608130274 /nfs/dbraw/zinc/13/02/74/608130274.db2.gz ILRJVBLYICGRSC-PFUSGODGSA-N -1 3 391.501 0.461 20 0 GCADHM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000825485816 608139503 /nfs/dbraw/zinc/13/95/03/608139503.db2.gz JSHRABJAKZGAEZ-QWRGUYRKSA-N -1 3 377.401 0.958 20 0 GCADHM CCOC(=O)[C@@H](C)[C@H](C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000825485816 608139504 /nfs/dbraw/zinc/13/95/04/608139504.db2.gz JSHRABJAKZGAEZ-QWRGUYRKSA-N -1 3 377.401 0.958 20 0 GCADHM COCC[C@@H](Cc1ccco1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826154192 608139606 /nfs/dbraw/zinc/13/96/06/608139606.db2.gz KHRAJTWTKKHOOS-HNNXBMFYSA-N -1 3 398.423 0.954 20 0 GCADHM COCC[C@@H](Cc1ccco1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826154192 608139607 /nfs/dbraw/zinc/13/96/07/608139607.db2.gz KHRAJTWTKKHOOS-HNNXBMFYSA-N -1 3 398.423 0.954 20 0 GCADHM CCOC(=O)[C@H](C)[C@@H](C)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000825485811 608139636 /nfs/dbraw/zinc/13/96/36/608139636.db2.gz JSHRABJAKZGAEZ-GHMZBOCLSA-N -1 3 377.401 0.958 20 0 GCADHM CCOC(=O)[C@H](C)[C@@H](C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000825485811 608139637 /nfs/dbraw/zinc/13/96/37/608139637.db2.gz JSHRABJAKZGAEZ-GHMZBOCLSA-N -1 3 377.401 0.958 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CS(=O)(=O)N(CC)CC ZINC000825608950 608141994 /nfs/dbraw/zinc/14/19/94/608141994.db2.gz FMWJPZVLMXMLAS-UHFFFAOYSA-N -1 3 383.430 0.842 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CS(=O)(=O)N(CC)CC ZINC000825608950 608141995 /nfs/dbraw/zinc/14/19/95/608141995.db2.gz FMWJPZVLMXMLAS-UHFFFAOYSA-N -1 3 383.430 0.842 20 0 GCADHM O=C(NC[C@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826434974 608142150 /nfs/dbraw/zinc/14/21/50/608142150.db2.gz CRZKXIQWYKOOOH-SNVBAGLBSA-N -1 3 396.404 0.028 20 0 GCADHM O=C(NC[C@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826434974 608142151 /nfs/dbraw/zinc/14/21/51/608142151.db2.gz CRZKXIQWYKOOOH-SNVBAGLBSA-N -1 3 396.404 0.028 20 0 GCADHM O=C(NC[C@@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826434973 608142194 /nfs/dbraw/zinc/14/21/94/608142194.db2.gz CRZKXIQWYKOOOH-JTQLQIEISA-N -1 3 396.404 0.028 20 0 GCADHM O=C(NC[C@@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826434973 608142195 /nfs/dbraw/zinc/14/21/95/608142195.db2.gz CRZKXIQWYKOOOH-JTQLQIEISA-N -1 3 396.404 0.028 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC3(COC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC000826299038 608145263 /nfs/dbraw/zinc/14/52/63/608145263.db2.gz OPYMPYGHPJLBDG-UHFFFAOYSA-N -1 3 385.384 0.215 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC3(COC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC000826299038 608145264 /nfs/dbraw/zinc/14/52/64/608145264.db2.gz OPYMPYGHPJLBDG-UHFFFAOYSA-N -1 3 385.384 0.215 20 0 GCADHM CC1([C@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)OCCO1 ZINC000824818704 608145893 /nfs/dbraw/zinc/14/58/93/608145893.db2.gz VGJFDRAKHWPODR-ZDUSSCGKSA-N -1 3 386.412 0.807 20 0 GCADHM CC1([C@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)OCCO1 ZINC000824818704 608145894 /nfs/dbraw/zinc/14/58/94/608145894.db2.gz VGJFDRAKHWPODR-ZDUSSCGKSA-N -1 3 386.412 0.807 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824098830 608145970 /nfs/dbraw/zinc/14/59/70/608145970.db2.gz ASEXKAJQVLPJAY-UHFFFAOYSA-N -1 3 375.385 0.410 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824098830 608145971 /nfs/dbraw/zinc/14/59/71/608145971.db2.gz ASEXKAJQVLPJAY-UHFFFAOYSA-N -1 3 375.385 0.410 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824098817 608146626 /nfs/dbraw/zinc/14/66/26/608146626.db2.gz AGHNBTZHSYQGKV-UHFFFAOYSA-N -1 3 397.338 0.760 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824098817 608146627 /nfs/dbraw/zinc/14/66/27/608146627.db2.gz AGHNBTZHSYQGKV-UHFFFAOYSA-N -1 3 397.338 0.760 20 0 GCADHM O=C(NCC1(CO)CCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826433546 608146713 /nfs/dbraw/zinc/14/67/13/608146713.db2.gz KDNFBSILHXYHPQ-UHFFFAOYSA-N -1 3 396.354 0.685 20 0 GCADHM O=C(NCC1(CO)CCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826433546 608146714 /nfs/dbraw/zinc/14/67/14/608146714.db2.gz KDNFBSILHXYHPQ-UHFFFAOYSA-N -1 3 396.354 0.685 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCN1CCOCC1=O ZINC000824178558 608146827 /nfs/dbraw/zinc/14/68/27/608146827.db2.gz XMIHATSNQZRSQB-UHFFFAOYSA-N -1 3 375.385 0.426 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCN1CCOCC1=O ZINC000824178558 608146828 /nfs/dbraw/zinc/14/68/28/608146828.db2.gz XMIHATSNQZRSQB-UHFFFAOYSA-N -1 3 375.385 0.426 20 0 GCADHM O=C(OCCN1CCOCC1=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826463333 608147321 /nfs/dbraw/zinc/14/73/21/608147321.db2.gz BAYWWIMCVIHEQH-OAHLLOKOSA-N -1 3 386.412 0.238 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826279964 608158827 /nfs/dbraw/zinc/15/88/27/608158827.db2.gz JKYSUASMKYJNIU-CJNGLKHVSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826279964 608158829 /nfs/dbraw/zinc/15/88/29/608158829.db2.gz JKYSUASMKYJNIU-CJNGLKHVSA-N -1 3 379.442 0.792 20 0 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Cc1nc(CN2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CC2)cs1 ZINC000826325552 608217383 /nfs/dbraw/zinc/21/73/83/608217383.db2.gz BXGBYFNOYNHKNY-UHFFFAOYSA-N -1 3 399.484 0.783 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NC1CCN(c2ccccn2)CC1 ZINC000826413717 608219341 /nfs/dbraw/zinc/21/93/41/608219341.db2.gz ORWLXHAJHOPTOP-UHFFFAOYSA-N -1 3 379.428 0.854 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NC1CCN(c2ccccn2)CC1 ZINC000826413717 608219343 /nfs/dbraw/zinc/21/93/43/608219343.db2.gz ORWLXHAJHOPTOP-UHFFFAOYSA-N -1 3 379.428 0.854 20 0 GCADHM O=C(CC1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1)N1CCCC1 ZINC000826413350 608219582 /nfs/dbraw/zinc/21/95/82/608219582.db2.gz BHRIOCUSIKWVKP-UHFFFAOYSA-N -1 3 398.471 0.925 20 0 GCADHM O=C(CC1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1)N1CCCC1 ZINC000826413350 608219583 /nfs/dbraw/zinc/21/95/83/608219583.db2.gz BHRIOCUSIKWVKP-UHFFFAOYSA-N -1 3 398.471 0.925 20 0 GCADHM O[C@@H](Cn1cnc2c1ncnc2N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505198 608220841 /nfs/dbraw/zinc/22/08/41/608220841.db2.gz PFJSKAXFCBOWPH-AWEZNQCLSA-N -1 3 393.411 0.577 20 0 GCADHM O[C@@H](Cn1cnc2c1ncnc2N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505198 608220842 /nfs/dbraw/zinc/22/08/42/608220842.db2.gz PFJSKAXFCBOWPH-AWEZNQCLSA-N -1 3 393.411 0.577 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000826443705 608221452 /nfs/dbraw/zinc/22/14/52/608221452.db2.gz ZRGKYPLIMOACSJ-AWEZNQCLSA-N -1 3 396.411 0.574 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000826443705 608221453 /nfs/dbraw/zinc/22/14/53/608221453.db2.gz ZRGKYPLIMOACSJ-AWEZNQCLSA-N -1 3 396.411 0.574 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000826413360 608223717 /nfs/dbraw/zinc/22/37/17/608223717.db2.gz BSHPBEUSDAESDG-OAHLLOKOSA-N -1 3 386.460 0.387 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000826413360 608223719 /nfs/dbraw/zinc/22/37/19/608223719.db2.gz BSHPBEUSDAESDG-OAHLLOKOSA-N -1 3 386.460 0.387 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000826413533 608223830 /nfs/dbraw/zinc/22/38/30/608223830.db2.gz JAFIXQLNRBBHGJ-CQSZACIVSA-N -1 3 378.396 0.595 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000826413533 608223832 /nfs/dbraw/zinc/22/38/32/608223832.db2.gz JAFIXQLNRBBHGJ-CQSZACIVSA-N -1 3 378.396 0.595 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000826413907 608224325 /nfs/dbraw/zinc/22/43/25/608224325.db2.gz WKWLPFDJPNTUMX-ZDUSSCGKSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000826413907 608224327 /nfs/dbraw/zinc/22/43/27/608224327.db2.gz WKWLPFDJPNTUMX-ZDUSSCGKSA-N -1 3 396.386 0.734 20 0 GCADHM Cc1ccc(N2CC[C@@H](NC(=O)CNc3ccc(-c4nnn[n-]4)cn3)C2=O)cc1 ZINC000826289636 608224627 /nfs/dbraw/zinc/22/46/27/608224627.db2.gz HNJSWWOOFZFGTR-OAHLLOKOSA-N -1 3 392.423 0.904 20 0 GCADHM Cc1ccc(N2CC[C@@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cn3)C2=O)cc1 ZINC000826289636 608224629 /nfs/dbraw/zinc/22/46/29/608224629.db2.gz HNJSWWOOFZFGTR-OAHLLOKOSA-N -1 3 392.423 0.904 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCC(CN2CCCCC2=O)CC1 ZINC000826413756 608225501 /nfs/dbraw/zinc/22/55/01/608225501.db2.gz QNBUYUOAJIDWAT-UHFFFAOYSA-N -1 3 398.471 0.925 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCC(CN2CCCCC2=O)CC1 ZINC000826413756 608225502 /nfs/dbraw/zinc/22/55/02/608225502.db2.gz QNBUYUOAJIDWAT-UHFFFAOYSA-N -1 3 398.471 0.925 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000824678796 608234689 /nfs/dbraw/zinc/23/46/89/608234689.db2.gz ORQAXZRVRHXQPB-SECBINFHSA-N -1 3 389.366 0.723 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000824678796 608234690 /nfs/dbraw/zinc/23/46/90/608234690.db2.gz ORQAXZRVRHXQPB-SECBINFHSA-N -1 3 389.366 0.723 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826267925 608234907 /nfs/dbraw/zinc/23/49/07/608234907.db2.gz CEMZQXNVTKHRRZ-LLVKDONJSA-N -1 3 385.403 0.892 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826267925 608234908 /nfs/dbraw/zinc/23/49/08/608234908.db2.gz CEMZQXNVTKHRRZ-LLVKDONJSA-N -1 3 385.403 0.892 20 0 GCADHM O=C1CN(CN2CCOC3(CCC3)C2)C(=O)N1Cc1ccccc1-c1nnn[n-]1 ZINC000826481441 608237328 /nfs/dbraw/zinc/23/73/28/608237328.db2.gz UZJHTEFXHPBKHK-UHFFFAOYSA-N -1 3 397.439 0.843 20 0 GCADHM O=C1CN(CN2CCOC3(CCC3)C2)C(=O)N1Cc1ccccc1-c1nn[n-]n1 ZINC000826481441 608237330 /nfs/dbraw/zinc/23/73/30/608237330.db2.gz UZJHTEFXHPBKHK-UHFFFAOYSA-N -1 3 397.439 0.843 20 0 GCADHM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)[C@H](O)C(F)(F)F ZINC000825148745 608239557 /nfs/dbraw/zinc/23/95/57/608239557.db2.gz SXAHCARVMXPCKH-SCZZXKLOSA-N -1 3 383.327 0.986 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826060009 608240789 /nfs/dbraw/zinc/24/07/89/608240789.db2.gz DWXWASQYXKZTLF-KBPBESRZSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826060009 608240790 /nfs/dbraw/zinc/24/07/90/608240790.db2.gz DWXWASQYXKZTLF-KBPBESRZSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826060374 608241320 /nfs/dbraw/zinc/24/13/20/608241320.db2.gz LSHLUOGWQFSKTN-HIFRSBDPSA-N -1 3 398.471 0.613 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826060374 608241321 /nfs/dbraw/zinc/24/13/21/608241321.db2.gz LSHLUOGWQFSKTN-HIFRSBDPSA-N -1 3 398.471 0.613 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000826357561 608241774 /nfs/dbraw/zinc/24/17/74/608241774.db2.gz JRRMPDHIVRJKLO-UHFFFAOYSA-N -1 3 396.411 0.383 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000826357561 608241776 /nfs/dbraw/zinc/24/17/76/608241776.db2.gz JRRMPDHIVRJKLO-UHFFFAOYSA-N -1 3 396.411 0.383 20 0 GCADHM O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nnn[n-]3)CCN12 ZINC000826480153 608242493 /nfs/dbraw/zinc/24/24/93/608242493.db2.gz SBFHOCSBHVRPKN-SNVBAGLBSA-N -1 3 382.833 0.515 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](O)C(F)(F)F ZINC000825133846 608244974 /nfs/dbraw/zinc/24/49/74/608244974.db2.gz QNRKYZMXKOOICF-VHSXEESVSA-N -1 3 390.297 0.762 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](O)C(F)(F)F ZINC000825133846 608244975 /nfs/dbraw/zinc/24/49/75/608244975.db2.gz QNRKYZMXKOOICF-VHSXEESVSA-N -1 3 390.297 0.762 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccn(C)n2)cc1-c1nnn[n-]1 ZINC000824325034 608244980 /nfs/dbraw/zinc/24/49/80/608244980.db2.gz YMKZETVXCXPLGS-UHFFFAOYSA-N -1 3 384.400 0.642 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccn(C)n2)cc1-c1nn[n-]n1 ZINC000824325034 608244981 /nfs/dbraw/zinc/24/49/81/608244981.db2.gz YMKZETVXCXPLGS-UHFFFAOYSA-N -1 3 384.400 0.642 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCN1CC(F)F ZINC000825202444 608245539 /nfs/dbraw/zinc/24/55/39/608245539.db2.gz KJKLDGITWZSFNO-ZDUSSCGKSA-N -1 3 393.398 0.993 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCN1CC(F)F ZINC000825202444 608245542 /nfs/dbraw/zinc/24/55/42/608245542.db2.gz KJKLDGITWZSFNO-ZDUSSCGKSA-N -1 3 393.398 0.993 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826452029 608247905 /nfs/dbraw/zinc/24/79/05/608247905.db2.gz FSEJQWOEVMGJEL-JTQLQIEISA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826452029 608247906 /nfs/dbraw/zinc/24/79/06/608247906.db2.gz FSEJQWOEVMGJEL-JTQLQIEISA-N -1 3 389.803 0.292 20 0 GCADHM CCOCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825593820 608249268 /nfs/dbraw/zinc/24/92/68/608249268.db2.gz FGUCFBLVHDOVRT-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM CCOCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825593820 608249269 /nfs/dbraw/zinc/24/92/69/608249269.db2.gz FGUCFBLVHDOVRT-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@]1(C)CCCOC1 ZINC000824633202 608250362 /nfs/dbraw/zinc/25/03/62/608250362.db2.gz HUHSSDBBHKCYII-MEDUHNTESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@]1(C)CCCOC1 ZINC000824633202 608250364 /nfs/dbraw/zinc/25/03/64/608250364.db2.gz HUHSSDBBHKCYII-MEDUHNTESA-N -1 3 394.457 0.219 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826399517 608252190 /nfs/dbraw/zinc/25/21/90/608252190.db2.gz YAKFUSIOCQYVON-CVEARBPZSA-N -1 3 381.440 0.669 20 0 GCADHM CC[C@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@H](O)C(F)(F)F ZINC000825134596 608252971 /nfs/dbraw/zinc/25/29/71/608252971.db2.gz VIZJZDOXFWYQDI-UWVGGRQHSA-N -1 3 388.354 0.675 20 0 GCADHM CC[C@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@H](O)C(F)(F)F ZINC000825134596 608252973 /nfs/dbraw/zinc/25/29/73/608252973.db2.gz VIZJZDOXFWYQDI-UWVGGRQHSA-N -1 3 388.354 0.675 20 0 GCADHM O=C(COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCOC[C@@H]1C1CC1 ZINC000826462903 608253015 /nfs/dbraw/zinc/25/30/15/608253015.db2.gz NEVUDPDWJSNTQP-CYBMUJFWSA-N -1 3 393.350 0.939 20 0 GCADHM O=C(COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCOC[C@@H]1C1CC1 ZINC000826462903 608253018 /nfs/dbraw/zinc/25/30/18/608253018.db2.gz NEVUDPDWJSNTQP-CYBMUJFWSA-N -1 3 393.350 0.939 20 0 GCADHM CC[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)[C@H](O)C(F)(F)F ZINC000825132547 608253344 /nfs/dbraw/zinc/25/33/44/608253344.db2.gz AOBCRFRYATUGRG-KOLCDFICSA-N -1 3 388.354 0.675 20 0 GCADHM CC[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)[C@H](O)C(F)(F)F ZINC000825132547 608253346 /nfs/dbraw/zinc/25/33/46/608253346.db2.gz AOBCRFRYATUGRG-KOLCDFICSA-N -1 3 388.354 0.675 20 0 GCADHM Cc1cnc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)s1 ZINC000826318281 608253747 /nfs/dbraw/zinc/25/37/47/608253747.db2.gz BRLCMHLRAVLNFB-UHFFFAOYSA-N -1 3 394.438 0.653 20 0 GCADHM Cc1cnc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)s1 ZINC000826318281 608253748 /nfs/dbraw/zinc/25/37/48/608253748.db2.gz BRLCMHLRAVLNFB-UHFFFAOYSA-N -1 3 394.438 0.653 20 0 GCADHM O=C(CN1CCN2C(=O)CC[C@H]2C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826411019 608259037 /nfs/dbraw/zinc/25/90/37/608259037.db2.gz HXDJLXOYGQVYJJ-NSHDSACASA-N -1 3 375.820 0.765 20 0 GCADHM O=C(CN1CCN2C(=O)CC[C@H]2C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826411019 608259039 /nfs/dbraw/zinc/25/90/39/608259039.db2.gz HXDJLXOYGQVYJJ-NSHDSACASA-N -1 3 375.820 0.765 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1(C(N)=O)CCCC1 ZINC000825946358 608260858 /nfs/dbraw/zinc/26/08/58/608260858.db2.gz USZSEMIWMYYYKC-UHFFFAOYSA-N -1 3 378.458 0.370 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1(C(N)=O)CCCC1 ZINC000825946358 608260859 /nfs/dbraw/zinc/26/08/59/608260859.db2.gz USZSEMIWMYYYKC-UHFFFAOYSA-N -1 3 378.458 0.370 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824677102 608266112 /nfs/dbraw/zinc/26/61/12/608266112.db2.gz BGTOFSLMEKLCGP-SECBINFHSA-N -1 3 379.808 0.577 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824677102 608266113 /nfs/dbraw/zinc/26/61/13/608266113.db2.gz BGTOFSLMEKLCGP-SECBINFHSA-N -1 3 379.808 0.577 20 0 GCADHM COc1ccc2c(c1)ncn(CC(=O)NCc1ccc(-c3nnn[n-]3)cc1)c2=O ZINC000826212621 608267322 /nfs/dbraw/zinc/26/73/22/608267322.db2.gz VYGWHOGJNVBPFM-UHFFFAOYSA-N -1 3 391.391 0.902 20 0 GCADHM COc1ccc2c(c1)ncn(CC(=O)NCc1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000826212621 608267323 /nfs/dbraw/zinc/26/73/23/608267323.db2.gz VYGWHOGJNVBPFM-UHFFFAOYSA-N -1 3 391.391 0.902 20 0 GCADHM COc1ccc2c(c1)ncn(CC(=O)NCc1cccc(-c3nnn[n-]3)c1)c2=O ZINC000826212624 608267520 /nfs/dbraw/zinc/26/75/20/608267520.db2.gz WCNZLMNXVYHCRH-UHFFFAOYSA-N -1 3 391.391 0.902 20 0 GCADHM COc1ccc2c(c1)ncn(CC(=O)NCc1cccc(-c3nn[n-]n3)c1)c2=O ZINC000826212624 608267521 /nfs/dbraw/zinc/26/75/21/608267521.db2.gz WCNZLMNXVYHCRH-UHFFFAOYSA-N -1 3 391.391 0.902 20 0 GCADHM C[C@H](C(N)=O)N(C)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824052526 608271997 /nfs/dbraw/zinc/27/19/97/608271997.db2.gz OVJGTWJZLJBLMX-QFWMXSHPSA-N -1 3 388.432 0.467 20 0 GCADHM C[C@H](C(N)=O)N(C)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824052526 608271998 /nfs/dbraw/zinc/27/19/98/608271998.db2.gz OVJGTWJZLJBLMX-QFWMXSHPSA-N -1 3 388.432 0.467 20 0 GCADHM Cc1cn2c(ncc(C(=O)NCCNc3ncccc3-c3nnn[n-]3)c2=O)s1 ZINC000826317116 608274461 /nfs/dbraw/zinc/27/44/61/608274461.db2.gz NLUHVEMBJOOEII-UHFFFAOYSA-N -1 3 397.424 0.481 20 0 GCADHM Cc1cn2c(ncc(C(=O)NCCNc3ncccc3-c3nn[n-]n3)c2=O)s1 ZINC000826317116 608274462 /nfs/dbraw/zinc/27/44/62/608274462.db2.gz NLUHVEMBJOOEII-UHFFFAOYSA-N -1 3 397.424 0.481 20 0 GCADHM NC(=O)c1cc(OC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)ccn1 ZINC000826392845 608277378 /nfs/dbraw/zinc/27/73/78/608277378.db2.gz PFVCVNVUBAXZBP-UHFFFAOYSA-N -1 3 382.384 0.372 20 0 GCADHM NC(=O)c1cc(OC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)ccn1 ZINC000826392845 608277380 /nfs/dbraw/zinc/27/73/80/608277380.db2.gz PFVCVNVUBAXZBP-UHFFFAOYSA-N -1 3 382.384 0.372 20 0 GCADHM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000826392973 608277390 /nfs/dbraw/zinc/27/73/90/608277390.db2.gz VWPQUWFRIQMKIX-UHFFFAOYSA-N -1 3 394.395 0.450 20 0 GCADHM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826392973 608277391 /nfs/dbraw/zinc/27/73/91/608277391.db2.gz VWPQUWFRIQMKIX-UHFFFAOYSA-N -1 3 394.395 0.450 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC000826156366 608283227 /nfs/dbraw/zinc/28/32/27/608283227.db2.gz ZUYBYFKMGIIXKQ-CQSZACIVSA-N -1 3 388.476 0.233 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC000826156366 608283230 /nfs/dbraw/zinc/28/32/30/608283230.db2.gz ZUYBYFKMGIIXKQ-CQSZACIVSA-N -1 3 388.476 0.233 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)CS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826321627 608289597 /nfs/dbraw/zinc/28/95/97/608289597.db2.gz JUGREWJKBJLOFE-UHFFFAOYSA-N -1 3 379.377 0.758 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)CS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826321627 608289599 /nfs/dbraw/zinc/28/95/99/608289599.db2.gz JUGREWJKBJLOFE-UHFFFAOYSA-N -1 3 379.377 0.758 20 0 GCADHM CCCn1cc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC000825356762 608303970 /nfs/dbraw/zinc/30/39/70/608303970.db2.gz IVEBSOIMWIVUDR-UHFFFAOYSA-N -1 3 382.432 0.662 20 0 GCADHM CCCn1cc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC000825356762 608303971 /nfs/dbraw/zinc/30/39/71/608303971.db2.gz IVEBSOIMWIVUDR-UHFFFAOYSA-N -1 3 382.432 0.662 20 0 GCADHM COC(=O)[C@@H]1CN(Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CCO1 ZINC000826134593 608311753 /nfs/dbraw/zinc/31/17/53/608311753.db2.gz YZRXFVVKZAEXFR-HNNXBMFYSA-N -1 3 383.412 0.735 20 0 GCADHM C[C@]1(O)CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000824836994 608316085 /nfs/dbraw/zinc/31/60/85/608316085.db2.gz DOAIBVHSBOCZQI-INIZCTEOSA-N -1 3 396.354 0.780 20 0 GCADHM C[C@]1(O)CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000824836994 608316087 /nfs/dbraw/zinc/31/60/87/608316087.db2.gz DOAIBVHSBOCZQI-INIZCTEOSA-N -1 3 396.354 0.780 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H](C)CN1Cc1ccccc1 ZINC000824968951 608316500 /nfs/dbraw/zinc/31/65/00/608316500.db2.gz RDOYXBITXBRFFX-KBPBESRZSA-N -1 3 381.444 0.580 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H](C)CN1Cc1ccccc1 ZINC000824968951 608316503 /nfs/dbraw/zinc/31/65/03/608316503.db2.gz RDOYXBITXBRFFX-KBPBESRZSA-N -1 3 381.444 0.580 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](CO)Cc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826298717 608316696 /nfs/dbraw/zinc/31/66/96/608316696.db2.gz FCCSOIKZUQDXHD-CQSZACIVSA-N -1 3 398.398 0.973 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](CO)Cc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826298717 608316698 /nfs/dbraw/zinc/31/66/98/608316698.db2.gz FCCSOIKZUQDXHD-CQSZACIVSA-N -1 3 398.398 0.973 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](CO)Cc2ccc(F)cc2)cccc1-c1nnn[n-]1 ZINC000826241316 608316937 /nfs/dbraw/zinc/31/69/37/608316937.db2.gz YSUXHUNENDTULG-CQSZACIVSA-N -1 3 398.398 0.973 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](CO)Cc2ccc(F)cc2)cccc1-c1nn[n-]n1 ZINC000826241316 608316938 /nfs/dbraw/zinc/31/69/38/608316938.db2.gz YSUXHUNENDTULG-CQSZACIVSA-N -1 3 398.398 0.973 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@@H]1COC2(CCCC2)O1 ZINC000826438000 608319287 /nfs/dbraw/zinc/31/92/87/608319287.db2.gz JECOZXINFUGBCN-CYBMUJFWSA-N -1 3 388.432 0.659 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@@H]1COC2(CCCC2)O1 ZINC000826438000 608319290 /nfs/dbraw/zinc/31/92/90/608319290.db2.gz JECOZXINFUGBCN-CYBMUJFWSA-N -1 3 388.432 0.659 20 0 GCADHM c1cc(-c2nnc(CN3CCN([C@@H]4CCOC4)CC3)o2)ccc1-c1nnn[n-]1 ZINC000826512782 608319314 /nfs/dbraw/zinc/31/93/14/608319314.db2.gz NLEYNRMFHGPAMV-OAHLLOKOSA-N -1 3 382.428 0.823 20 0 GCADHM c1cc(-c2nnc(CN3CCN([C@@H]4CCOC4)CC3)o2)ccc1-c1nn[n-]n1 ZINC000826512782 608319316 /nfs/dbraw/zinc/31/93/16/608319316.db2.gz NLEYNRMFHGPAMV-OAHLLOKOSA-N -1 3 382.428 0.823 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000826388533 608319480 /nfs/dbraw/zinc/31/94/80/608319480.db2.gz CMCRKYIZNWPIFA-KRWDZBQOSA-N -1 3 378.440 0.606 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000826388533 608319482 /nfs/dbraw/zinc/31/94/82/608319482.db2.gz CMCRKYIZNWPIFA-KRWDZBQOSA-N -1 3 378.440 0.606 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCN(C(=O)[C@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826332197 608322235 /nfs/dbraw/zinc/32/22/35/608322235.db2.gz MNSBRMAYJHERAU-AWEZNQCLSA-N -1 3 396.455 0.386 20 0 GCADHM CN(C)C(=O)C1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000825839138 608324774 /nfs/dbraw/zinc/32/47/74/608324774.db2.gz GDNYFHYIURJYNO-UHFFFAOYSA-N -1 3 396.448 0.636 20 0 GCADHM CN(C)C(=O)C1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000825839138 608324775 /nfs/dbraw/zinc/32/47/75/608324775.db2.gz GDNYFHYIURJYNO-UHFFFAOYSA-N -1 3 396.448 0.636 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCNc1ncccn1 ZINC000826485789 608330581 /nfs/dbraw/zinc/33/05/81/608330581.db2.gz DDKIBIMBXPUCLC-UHFFFAOYSA-N -1 3 378.393 0.327 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)[C@@H](C)N1CCOCC1 ZINC000824632509 608331407 /nfs/dbraw/zinc/33/14/07/608331407.db2.gz APSJISACZWCRCD-VXGBXAGGSA-N -1 3 398.464 0.534 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)[C@@H](C)N1CCOCC1 ZINC000824632509 608331408 /nfs/dbraw/zinc/33/14/08/608331408.db2.gz APSJISACZWCRCD-VXGBXAGGSA-N -1 3 398.464 0.534 20 0 GCADHM Cc1noc(CCCNS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000826339767 608332123 /nfs/dbraw/zinc/33/21/23/608332123.db2.gz RZRGPZZDXUAKRE-UHFFFAOYSA-N -1 3 381.393 0.749 20 0 GCADHM Cc1noc(CCCNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000826339767 608332125 /nfs/dbraw/zinc/33/21/25/608332125.db2.gz RZRGPZZDXUAKRE-UHFFFAOYSA-N -1 3 381.393 0.749 20 0 GCADHM NC(=O)C1CCC(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826389732 608332277 /nfs/dbraw/zinc/33/22/77/608332277.db2.gz GZOYLIUPLXQKPS-UHFFFAOYSA-N -1 3 382.421 0.469 20 0 GCADHM NC(=O)C1CCC(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826389732 608332278 /nfs/dbraw/zinc/33/22/78/608332278.db2.gz GZOYLIUPLXQKPS-UHFFFAOYSA-N -1 3 382.421 0.469 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1nccn1C ZINC000824640307 608333345 /nfs/dbraw/zinc/33/33/45/608333345.db2.gz GAHKPYMIQWHSDL-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1nccn1C ZINC000824640307 608333347 /nfs/dbraw/zinc/33/33/47/608333347.db2.gz GAHKPYMIQWHSDL-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H]1Cn1cncn1 ZINC000826485227 608333533 /nfs/dbraw/zinc/33/35/33/608333533.db2.gz HREXVNMGQJAIJL-CYBMUJFWSA-N -1 3 392.420 0.592 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H]1Cn1cncn1 ZINC000826485227 608333535 /nfs/dbraw/zinc/33/35/35/608333535.db2.gz HREXVNMGQJAIJL-CYBMUJFWSA-N -1 3 392.420 0.592 20 0 GCADHM NC(=O)C1(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCCC1 ZINC000826389329 608333772 /nfs/dbraw/zinc/33/37/72/608333772.db2.gz VPJIJVDGGQSECJ-UHFFFAOYSA-N -1 3 382.421 0.471 20 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/nfs/dbraw/zinc/33/41/53/608334153.db2.gz GTNPCIBUXZAGIW-ZDUSSCGKSA-N -1 3 387.437 0.459 20 0 GCADHM CSC[C@@H](CCO)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826228083 608334867 /nfs/dbraw/zinc/33/48/67/608334867.db2.gz DLYHYDJQDUCELM-LLVKDONJSA-N -1 3 375.451 0.539 20 0 GCADHM CSC[C@@H](CCO)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826228083 608334868 /nfs/dbraw/zinc/33/48/68/608334868.db2.gz DLYHYDJQDUCELM-LLVKDONJSA-N -1 3 375.451 0.539 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1C ZINC000824706582 608335868 /nfs/dbraw/zinc/33/58/68/608335868.db2.gz JGDYFFNNHWFRGN-VXGBXAGGSA-N -1 3 398.464 0.223 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824440446 608337364 /nfs/dbraw/zinc/33/73/64/608337364.db2.gz CFDWEMMQAQVPLE-ZWNOBZJWSA-N -1 3 385.421 0.619 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824440446 608337365 /nfs/dbraw/zinc/33/73/65/608337365.db2.gz CFDWEMMQAQVPLE-ZWNOBZJWSA-N -1 3 385.421 0.619 20 0 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VCJIXANZPBYHCP-DGCLKSJQSA-N -1 3 385.428 0.487 20 0 GCADHM CC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)[C@H](C)C1 ZINC000823975150 608362126 /nfs/dbraw/zinc/36/21/26/608362126.db2.gz VCJIXANZPBYHCP-DGCLKSJQSA-N -1 3 385.428 0.487 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826298911 608363100 /nfs/dbraw/zinc/36/31/00/608363100.db2.gz KPFWJHSCVKMSNF-HIFRSBDPSA-N -1 3 399.455 0.293 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826298911 608363101 /nfs/dbraw/zinc/36/31/01/608363101.db2.gz KPFWJHSCVKMSNF-HIFRSBDPSA-N -1 3 399.455 0.293 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC000825202962 608363679 /nfs/dbraw/zinc/36/36/79/608363679.db2.gz LPIKXGZHMBXVGW-SMDDNHRTSA-N -1 3 388.428 0.822 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC000825202962 608363681 /nfs/dbraw/zinc/36/36/81/608363681.db2.gz LPIKXGZHMBXVGW-SMDDNHRTSA-N -1 3 388.428 0.822 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C[C@H]1O ZINC000825204505 608363790 /nfs/dbraw/zinc/36/37/90/608363790.db2.gz RSAACAADLWPUDJ-LDYMZIIASA-N -1 3 396.354 0.636 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C[C@H]1O ZINC000825204505 608363792 /nfs/dbraw/zinc/36/37/92/608363792.db2.gz RSAACAADLWPUDJ-LDYMZIIASA-N -1 3 396.354 0.636 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C[C@@H]1O ZINC000825204504 608363974 /nfs/dbraw/zinc/36/39/74/608363974.db2.gz RSAACAADLWPUDJ-KWQFWETISA-N -1 3 396.354 0.636 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C[C@@H]1O ZINC000825204504 608363976 /nfs/dbraw/zinc/36/39/76/608363976.db2.gz RSAACAADLWPUDJ-KWQFWETISA-N -1 3 396.354 0.636 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOCC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000826395357 608370683 /nfs/dbraw/zinc/37/06/83/608370683.db2.gz XWAAWKIMFBGZMN-UHFFFAOYSA-N -1 3 380.352 0.895 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOCC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000826395357 608370685 /nfs/dbraw/zinc/37/06/85/608370685.db2.gz XWAAWKIMFBGZMN-UHFFFAOYSA-N -1 3 380.352 0.895 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000826170380 608371007 /nfs/dbraw/zinc/37/10/07/608371007.db2.gz YKRUESYBCGCCEB-UHFFFAOYSA-N -1 3 394.439 0.691 20 0 GCADHM O=C1CCc2cc(OC[C@@H](O)CNc3cnccc3-c3nnn[n-]3)ccc2N1 ZINC000826480867 608376379 /nfs/dbraw/zinc/37/63/79/608376379.db2.gz VFPCXMQQMFKSJT-LBPRGKRZSA-N -1 3 381.396 0.998 20 0 GCADHM O=C1CCc2cc(OC[C@@H](O)CNc3cnccc3-c3nn[n-]n3)ccc2N1 ZINC000826480867 608376381 /nfs/dbraw/zinc/37/63/81/608376381.db2.gz VFPCXMQQMFKSJT-LBPRGKRZSA-N -1 3 381.396 0.998 20 0 GCADHM CN(CC(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCSC1 ZINC000825897858 608382375 /nfs/dbraw/zinc/38/23/75/608382375.db2.gz ORXPRLGQBLKLPF-CQSZACIVSA-N -1 3 390.469 0.463 20 0 GCADHM CN(CC(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000825897858 608382376 /nfs/dbraw/zinc/38/23/76/608382376.db2.gz ORXPRLGQBLKLPF-CQSZACIVSA-N -1 3 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396.407 0.881 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000824207628 608619912 /nfs/dbraw/zinc/61/99/12/608619912.db2.gz YVZFHHRLUKJBKT-XEZPLFJOSA-N -1 3 375.429 0.878 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000824207628 608619914 /nfs/dbraw/zinc/61/99/14/608619914.db2.gz YVZFHHRLUKJBKT-XEZPLFJOSA-N -1 3 375.429 0.878 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000826452387 608623844 /nfs/dbraw/zinc/62/38/44/608623844.db2.gz RKNVPVYSKWCHLY-JTQLQIEISA-N -1 3 396.860 0.785 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CCSC[C@@H]1CCO ZINC000826452387 608623846 /nfs/dbraw/zinc/62/38/46/608623846.db2.gz RKNVPVYSKWCHLY-JTQLQIEISA-N -1 3 396.860 0.785 20 0 GCADHM CCN1CCOC[C@H]1C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825465620 608629853 /nfs/dbraw/zinc/62/98/53/608629853.db2.gz ONHDLVUTZOMOHO-LSDHHAIUSA-N -1 3 386.412 0.236 20 0 GCADHM CCN1CCOC[C@H]1C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825465620 608629855 /nfs/dbraw/zinc/62/98/55/608629855.db2.gz ONHDLVUTZOMOHO-LSDHHAIUSA-N -1 3 386.412 0.236 20 0 GCADHM CN(CCN(C)C(=O)OC(C)(C)C)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825938677 608630246 /nfs/dbraw/zinc/63/02/46/608630246.db2.gz VMRUHXWYRQAMDN-UHFFFAOYSA-N -1 3 390.448 0.999 20 0 GCADHM CN(CCN(C)C(=O)OC(C)(C)C)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825938677 608630250 /nfs/dbraw/zinc/63/02/50/608630250.db2.gz VMRUHXWYRQAMDN-UHFFFAOYSA-N -1 3 390.448 0.999 20 0 GCADHM COC[C@@](C)(NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)OC ZINC000826148203 608642094 /nfs/dbraw/zinc/64/20/94/608642094.db2.gz CFARTLXSMBEYGF-OAHLLOKOSA-N -1 3 382.808 0.626 20 0 GCADHM COC[C@@](C)(NCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)OC ZINC000826148203 608642095 /nfs/dbraw/zinc/64/20/95/608642095.db2.gz CFARTLXSMBEYGF-OAHLLOKOSA-N -1 3 382.808 0.626 20 0 GCADHM CCn1nc2c(cc1=O)CN(Cc1cnc3ccc(-c4nnn[n-]4)cn13)CC2 ZINC000825806872 608736222 /nfs/dbraw/zinc/73/62/22/608736222.db2.gz IARGTVSWTZHLOV-UHFFFAOYSA-N -1 3 377.412 0.649 20 0 GCADHM CCn1nc2c(cc1=O)CN(Cc1cnc3ccc(-c4nn[n-]n4)cn13)CC2 ZINC000825806872 608736224 /nfs/dbraw/zinc/73/62/24/608736224.db2.gz IARGTVSWTZHLOV-UHFFFAOYSA-N -1 3 377.412 0.649 20 0 GCADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CN1CCO[C@H](CNc2cccnn2)C1 ZINC000826526375 608741667 /nfs/dbraw/zinc/74/16/67/608741667.db2.gz WHKMYXITWKEIMU-OAHLLOKOSA-N -1 3 392.427 0.617 20 0 GCADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CN1CCO[C@H](CNc2cccnn2)C1 ZINC000826526375 608741670 /nfs/dbraw/zinc/74/16/70/608741670.db2.gz WHKMYXITWKEIMU-OAHLLOKOSA-N -1 3 392.427 0.617 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826090328 608745811 /nfs/dbraw/zinc/74/58/11/608745811.db2.gz GANVNUTUALPRBX-GFCCVEGCSA-N -1 3 376.446 0.028 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826090328 608745813 /nfs/dbraw/zinc/74/58/13/608745813.db2.gz GANVNUTUALPRBX-GFCCVEGCSA-N -1 3 376.446 0.028 20 0 GCADHM COc1ccc(COC(=O)c2ccc(S(N)(=O)=O)cn2)cc1-c1nnn[n-]1 ZINC000826206492 608768940 /nfs/dbraw/zinc/76/89/40/608768940.db2.gz WDLHKEXFBXUSHS-UHFFFAOYSA-N -1 3 390.381 0.275 20 0 GCADHM COc1ccc(COC(=O)c2ccc(S(N)(=O)=O)cn2)cc1-c1nn[n-]n1 ZINC000826206492 608768942 /nfs/dbraw/zinc/76/89/42/608768942.db2.gz WDLHKEXFBXUSHS-UHFFFAOYSA-N -1 3 390.381 0.275 20 0 GCADHM c1cc(-c2nnn[n-]2)c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cn1 ZINC000826512445 608788230 /nfs/dbraw/zinc/78/82/30/608788230.db2.gz ALAATWVVVIOZNN-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM c1cc(-c2nn[n-]n2)c(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cn1 ZINC000826512445 608788235 /nfs/dbraw/zinc/78/82/35/608788235.db2.gz ALAATWVVVIOZNN-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM C[C@@H](C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)N1C(=O)CCC1=O ZINC000824039965 608810942 /nfs/dbraw/zinc/81/09/42/608810942.db2.gz JTWYNFFZVCAABC-JTQLQIEISA-N -1 3 394.395 0.411 20 0 GCADHM C[C@@H](C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)N1C(=O)CCC1=O ZINC000824039965 608810944 /nfs/dbraw/zinc/81/09/44/608810944.db2.gz JTWYNFFZVCAABC-JTQLQIEISA-N -1 3 394.395 0.411 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(N2CCOCC2)cc1 ZINC000826395412 608821347 /nfs/dbraw/zinc/82/13/47/608821347.db2.gz AKUKMBYSDMAPMF-UHFFFAOYSA-N -1 3 384.400 0.339 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(N2CCOCC2)cc1 ZINC000826395412 608821349 /nfs/dbraw/zinc/82/13/49/608821349.db2.gz AKUKMBYSDMAPMF-UHFFFAOYSA-N -1 3 384.400 0.339 20 0 GCADHM NC(=O)[C@@H]1COCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826390007 608822391 /nfs/dbraw/zinc/82/23/91/608822391.db2.gz NWTPDCJVUKBGFY-INIZCTEOSA-N -1 3 394.391 0.985 20 0 GCADHM NC(=O)[C@@H]1COCCN1C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826390007 608822394 /nfs/dbraw/zinc/82/23/94/608822394.db2.gz NWTPDCJVUKBGFY-INIZCTEOSA-N -1 3 394.391 0.985 20 0 GCADHM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826481628 608824227 /nfs/dbraw/zinc/82/42/27/608824227.db2.gz CWRCKWQFYMIWDK-CYBMUJFWSA-N -1 3 378.352 0.265 20 0 GCADHM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826481628 608824229 /nfs/dbraw/zinc/82/42/29/608824229.db2.gz CWRCKWQFYMIWDK-CYBMUJFWSA-N -1 3 378.352 0.265 20 0 GCADHM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826481912 608824294 /nfs/dbraw/zinc/82/42/94/608824294.db2.gz LVAZZHDXYFWTQD-CQSZACIVSA-N -1 3 377.364 0.870 20 0 GCADHM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826481912 608824296 /nfs/dbraw/zinc/82/42/96/608824296.db2.gz LVAZZHDXYFWTQD-CQSZACIVSA-N -1 3 377.364 0.870 20 0 GCADHM Cn1cnn(-c2ccc(NCC(=O)Nc3cccc(-c4nnn[n-]4)c3)cc2)c1=O ZINC000826365246 608883409 /nfs/dbraw/zinc/88/34/09/608883409.db2.gz GQJXQSGJRAQDDA-UHFFFAOYSA-N -1 3 391.395 0.802 20 0 GCADHM Cn1cnn(-c2ccc(NCC(=O)Nc3cccc(-c4nn[n-]n4)c3)cc2)c1=O ZINC000826365246 608883413 /nfs/dbraw/zinc/88/34/13/608883413.db2.gz GQJXQSGJRAQDDA-UHFFFAOYSA-N -1 3 391.395 0.802 20 0 GCADHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)C2CCOCC2)C1=O ZINC000824843824 608884148 /nfs/dbraw/zinc/88/41/48/608884148.db2.gz KYFLQMILMFHNSS-SFHVURJKSA-N -1 3 384.396 0.629 20 0 GCADHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)C2CCOCC2)C1=O ZINC000824843824 608884151 /nfs/dbraw/zinc/88/41/51/608884151.db2.gz KYFLQMILMFHNSS-SFHVURJKSA-N -1 3 384.396 0.629 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)n1cncn1 ZINC000824039337 609133956 /nfs/dbraw/zinc/13/39/56/609133956.db2.gz DGRYJKZUMIODCN-SMDDNHRTSA-N -1 3 381.400 0.331 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)n1cncn1 ZINC000824039337 609133958 /nfs/dbraw/zinc/13/39/58/609133958.db2.gz DGRYJKZUMIODCN-SMDDNHRTSA-N -1 3 381.400 0.331 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)n1cncn1 ZINC000824039332 609134030 /nfs/dbraw/zinc/13/40/30/609134030.db2.gz DGRYJKZUMIODCN-FZMZJTMJSA-N -1 3 381.400 0.331 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)n1cncn1 ZINC000824039332 609134031 /nfs/dbraw/zinc/13/40/31/609134031.db2.gz DGRYJKZUMIODCN-FZMZJTMJSA-N -1 3 381.400 0.331 20 0 GCADHM Cn1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1=O ZINC000826363641 609134309 /nfs/dbraw/zinc/13/43/09/609134309.db2.gz VWDBIWCKXZCAAD-HNNXBMFYSA-N -1 3 393.407 0.491 20 0 GCADHM Cn1cccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1=O ZINC000826363641 609134312 /nfs/dbraw/zinc/13/43/12/609134312.db2.gz VWDBIWCKXZCAAD-HNNXBMFYSA-N -1 3 393.407 0.491 20 0 GCADHM CCN1C[C@@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000825445310 609134388 /nfs/dbraw/zinc/13/43/88/609134388.db2.gz ZVVGHZXBZXGWCF-ZFWWWQNUSA-N -1 3 397.439 0.347 20 0 GCADHM CCN1C[C@@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000825445310 609134389 /nfs/dbraw/zinc/13/43/89/609134389.db2.gz ZVVGHZXBZXGWCF-ZFWWWQNUSA-N -1 3 397.439 0.347 20 0 GCADHM CCN1C[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000825445308 609134435 /nfs/dbraw/zinc/13/44/35/609134435.db2.gz ZVVGHZXBZXGWCF-HIFRSBDPSA-N -1 3 397.439 0.347 20 0 GCADHM CCN1C[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000825445308 609134436 /nfs/dbraw/zinc/13/44/36/609134436.db2.gz ZVVGHZXBZXGWCF-HIFRSBDPSA-N -1 3 397.439 0.347 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000826258993 609134483 /nfs/dbraw/zinc/13/44/83/609134483.db2.gz DKMOMUXARGPCKK-CQSZACIVSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000826258993 609134484 /nfs/dbraw/zinc/13/44/84/609134484.db2.gz DKMOMUXARGPCKK-CQSZACIVSA-N -1 3 380.412 0.834 20 0 GCADHM O=C(CN1CCCCC1=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826410484 609134882 /nfs/dbraw/zinc/13/48/82/609134882.db2.gz OUDUFEAGTRPEIV-OAHLLOKOSA-N -1 3 397.439 0.491 20 0 GCADHM O=C(CN1CCCCC1=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826410484 609134885 /nfs/dbraw/zinc/13/48/85/609134885.db2.gz OUDUFEAGTRPEIV-OAHLLOKOSA-N -1 3 397.439 0.491 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc(=O)[nH]c1 ZINC000826430525 609135039 /nfs/dbraw/zinc/13/50/39/609135039.db2.gz FFSWHHBVDOPXQP-CQSZACIVSA-N -1 3 379.380 0.893 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc(=O)[nH]c1 ZINC000826430525 609135040 /nfs/dbraw/zinc/13/50/40/609135040.db2.gz FFSWHHBVDOPXQP-CQSZACIVSA-N -1 3 379.380 0.893 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826355240 609136259 /nfs/dbraw/zinc/13/62/59/609136259.db2.gz PUTDNYVDQAORBS-CQSZACIVSA-N -1 3 393.407 0.491 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826355240 609136260 /nfs/dbraw/zinc/13/62/60/609136260.db2.gz PUTDNYVDQAORBS-CQSZACIVSA-N -1 3 393.407 0.491 20 0 GCADHM O=C(CCn1ccnc1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826409905 609136277 /nfs/dbraw/zinc/13/62/77/609136277.db2.gz TWIBCVOYTFSODU-OAHLLOKOSA-N -1 3 380.412 0.765 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1=O ZINC000824300944 609136838 /nfs/dbraw/zinc/13/68/38/609136838.db2.gz NPCGSMXHDYJXNE-UHFFFAOYSA-N -1 3 391.819 0.538 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1=O ZINC000824300944 609136840 /nfs/dbraw/zinc/13/68/40/609136840.db2.gz NPCGSMXHDYJXNE-UHFFFAOYSA-N -1 3 391.819 0.538 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1=O ZINC000824300047 609137007 /nfs/dbraw/zinc/13/70/07/609137007.db2.gz AOBSOJXKUPLMCD-UHFFFAOYSA-N -1 3 391.819 0.538 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1=O ZINC000824300047 609137009 /nfs/dbraw/zinc/13/70/09/609137009.db2.gz AOBSOJXKUPLMCD-UHFFFAOYSA-N -1 3 391.819 0.538 20 0 GCADHM CC(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC000823981780 609140254 /nfs/dbraw/zinc/14/02/54/609140254.db2.gz RERNZXNVSIJOTN-UHFFFAOYSA-N -1 3 380.412 0.665 20 0 GCADHM CC(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC000823981780 609140256 /nfs/dbraw/zinc/14/02/56/609140256.db2.gz RERNZXNVSIJOTN-UHFFFAOYSA-N -1 3 380.412 0.665 20 0 GCADHM Cc1cc(C(=O)O[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260917 609144000 /nfs/dbraw/zinc/14/40/00/609144000.db2.gz JXZMKRZQLYUUIU-ZDUSSCGKSA-N -1 3 388.409 0.705 20 0 GCADHM Cc1cc(C(=O)O[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260917 609144002 /nfs/dbraw/zinc/14/40/02/609144002.db2.gz JXZMKRZQLYUUIU-ZDUSSCGKSA-N -1 3 388.409 0.705 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826132168 609144613 /nfs/dbraw/zinc/14/46/13/609144613.db2.gz BMYCNKNUEAUQCC-GXFFZTMASA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826132168 609144616 /nfs/dbraw/zinc/14/46/16/609144616.db2.gz BMYCNKNUEAUQCC-GXFFZTMASA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)[C@@H](C(=O)OC)C1 ZINC000826132041 609144643 /nfs/dbraw/zinc/14/46/43/609144643.db2.gz AQXGHXRDCJKOHL-BXUZGUMPSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)[C@@H](C(=O)OC)C1 ZINC000826132041 609144645 /nfs/dbraw/zinc/14/46/45/609144645.db2.gz AQXGHXRDCJKOHL-BXUZGUMPSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)[C@H](C(=O)OC)C1 ZINC000826132875 609144730 /nfs/dbraw/zinc/14/47/30/609144730.db2.gz HQBWTASGORXHGC-HZMBPMFUSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)[C@H](C(=O)OC)C1 ZINC000826132875 609144732 /nfs/dbraw/zinc/14/47/32/609144732.db2.gz HQBWTASGORXHGC-HZMBPMFUSA-N -1 3 377.376 0.932 20 0 GCADHM Cc1cc(C(=O)NCCCn2cncn2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259514 609147701 /nfs/dbraw/zinc/14/77/01/609147701.db2.gz VCLUPHMWRFQAJK-UHFFFAOYSA-N -1 3 378.400 0.772 20 0 GCADHM Cc1cc(C(=O)NCCCn2cncn2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259514 609147704 /nfs/dbraw/zinc/14/77/04/609147704.db2.gz VCLUPHMWRFQAJK-UHFFFAOYSA-N -1 3 378.400 0.772 20 0 GCADHM CC(C)N1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000824300751 609148506 /nfs/dbraw/zinc/14/85/06/609148506.db2.gz KFAQTGDQEQXVNJ-UHFFFAOYSA-N -1 3 378.458 0.193 20 0 GCADHM CC(C)N1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000824300751 609148508 /nfs/dbraw/zinc/14/85/08/609148508.db2.gz KFAQTGDQEQXVNJ-UHFFFAOYSA-N -1 3 378.458 0.193 20 0 GCADHM CCn1cnnc1CNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825805040 609149354 /nfs/dbraw/zinc/14/93/54/609149354.db2.gz PHQGZJVRZPZOHD-UHFFFAOYSA-N -1 3 378.400 0.902 20 0 GCADHM CCn1cnnc1CNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825805040 609149356 /nfs/dbraw/zinc/14/93/56/609149356.db2.gz PHQGZJVRZPZOHD-UHFFFAOYSA-N -1 3 378.400 0.902 20 0 GCADHM CCCN(CC(=O)NC)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825307707 609149518 /nfs/dbraw/zinc/14/95/18/609149518.db2.gz MRXMIAWOQBUFSF-UHFFFAOYSA-N -1 3 382.428 0.959 20 0 GCADHM CCCN(CC(=O)NC)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825307707 609149520 /nfs/dbraw/zinc/14/95/20/609149520.db2.gz MRXMIAWOQBUFSF-UHFFFAOYSA-N -1 3 382.428 0.959 20 0 GCADHM Cc1cc(C(=O)N(C)CCN2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257331 609153272 /nfs/dbraw/zinc/15/32/72/609153272.db2.gz XWSILAJZNGGFHF-UHFFFAOYSA-N -1 3 396.455 0.765 20 0 GCADHM Cc1cc(C(=O)N(C)CCN2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257331 609153273 /nfs/dbraw/zinc/15/32/73/609153273.db2.gz XWSILAJZNGGFHF-UHFFFAOYSA-N -1 3 396.455 0.765 20 0 GCADHM Cc1cc(C(=O)NCc2cncnc2N)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259777 609163629 /nfs/dbraw/zinc/16/36/29/609163629.db2.gz FTETYOXBCGJACC-UHFFFAOYSA-N -1 3 376.384 0.663 20 0 GCADHM Cc1cc(C(=O)NCc2cncnc2N)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259777 609163630 /nfs/dbraw/zinc/16/36/30/609163630.db2.gz FTETYOXBCGJACC-UHFFFAOYSA-N -1 3 376.384 0.663 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)CC[C@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258627 609166493 /nfs/dbraw/zinc/16/64/93/609166493.db2.gz QCUANCNKBXYYPK-HNNXBMFYSA-N -1 3 392.423 0.808 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)CC[C@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258627 609166495 /nfs/dbraw/zinc/16/64/95/609166495.db2.gz QCUANCNKBXYYPK-HNNXBMFYSA-N -1 3 392.423 0.808 20 0 GCADHM COC[C@H](NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(=O)OC ZINC000826150924 609167891 /nfs/dbraw/zinc/16/78/91/609167891.db2.gz OUYLDZKTQCKNNF-AWEZNQCLSA-N -1 3 385.384 0.279 20 0 GCADHM COC[C@H](NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(=O)OC ZINC000826150924 609167892 /nfs/dbraw/zinc/16/78/92/609167892.db2.gz OUYLDZKTQCKNNF-AWEZNQCLSA-N -1 3 385.384 0.279 20 0 GCADHM Cc1cc(C(=O)N[C@@H](CO)c2cnn(C)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258323 609167900 /nfs/dbraw/zinc/16/79/00/609167900.db2.gz HFOZPHGYRVJPAZ-INIZCTEOSA-N -1 3 393.411 0.558 20 0 GCADHM Cc1cc(C(=O)N[C@@H](CO)c2cnn(C)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258323 609167901 /nfs/dbraw/zinc/16/79/01/609167901.db2.gz HFOZPHGYRVJPAZ-INIZCTEOSA-N -1 3 393.411 0.558 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2cnccn2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560655 609169117 /nfs/dbraw/zinc/16/91/17/609169117.db2.gz UYLGFQWRRJMFHS-UHFFFAOYSA-N -1 3 386.372 0.534 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2cnccn2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560655 609169119 /nfs/dbraw/zinc/16/91/19/609169119.db2.gz UYLGFQWRRJMFHS-UHFFFAOYSA-N -1 3 386.372 0.534 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H](CC)OC)c(-c2nnn[n-]2)cn1CCOC ZINC000825559584 609169324 /nfs/dbraw/zinc/16/93/24/609169324.db2.gz IIXXFNFJNDXWSW-LLVKDONJSA-N -1 3 380.405 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H](CC)OC)c(-c2nn[n-]n2)cn1CCOC ZINC000825559584 609169326 /nfs/dbraw/zinc/16/93/26/609169326.db2.gz IIXXFNFJNDXWSW-LLVKDONJSA-N -1 3 380.405 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560196 609169548 /nfs/dbraw/zinc/16/95/48/609169548.db2.gz OFPNBLJWMXQEKA-NSHDSACASA-N -1 3 378.389 0.609 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560196 609169549 /nfs/dbraw/zinc/16/95/49/609169549.db2.gz OFPNBLJWMXQEKA-NSHDSACASA-N -1 3 378.389 0.609 20 0 GCADHM CN(CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(=O)C1CC1 ZINC000825892043 609178292 /nfs/dbraw/zinc/17/82/92/609178292.db2.gz CVQATYWUGHFMHM-OAHLLOKOSA-N -1 3 397.439 0.347 20 0 GCADHM CN(CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(=O)C1CC1 ZINC000825892043 609178293 /nfs/dbraw/zinc/17/82/93/609178293.db2.gz CVQATYWUGHFMHM-OAHLLOKOSA-N -1 3 397.439 0.347 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826392770 609178864 /nfs/dbraw/zinc/17/88/64/609178864.db2.gz MKDZYYYIUQTWAY-CYBMUJFWSA-N -1 3 394.395 0.219 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826392770 609178865 /nfs/dbraw/zinc/17/88/65/609178865.db2.gz MKDZYYYIUQTWAY-CYBMUJFWSA-N -1 3 394.395 0.219 20 0 GCADHM O=C(CCn1cncn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826409635 609179132 /nfs/dbraw/zinc/17/91/32/609179132.db2.gz IJFDQHQZOYTHRO-CQSZACIVSA-N -1 3 381.400 0.160 20 0 GCADHM O=C(CCn1cncn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826409635 609179134 /nfs/dbraw/zinc/17/91/34/609179134.db2.gz IJFDQHQZOYTHRO-CQSZACIVSA-N -1 3 381.400 0.160 20 0 GCADHM O=C(CNCC(F)(F)F)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826412493 609179342 /nfs/dbraw/zinc/17/93/42/609179342.db2.gz PYCJWTLLCWANER-GFCCVEGCSA-N -1 3 397.361 0.630 20 0 GCADHM O=C(CNCC(F)(F)F)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826412493 609179343 /nfs/dbraw/zinc/17/93/43/609179343.db2.gz PYCJWTLLCWANER-GFCCVEGCSA-N -1 3 397.361 0.630 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc[nH]c1=O ZINC000826431198 609179657 /nfs/dbraw/zinc/17/96/57/609179657.db2.gz URROGNSAJHQTMT-AWEZNQCLSA-N -1 3 379.380 0.893 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc[nH]c1=O ZINC000826431198 609179658 /nfs/dbraw/zinc/17/96/58/609179658.db2.gz URROGNSAJHQTMT-AWEZNQCLSA-N -1 3 379.380 0.893 20 0 GCADHM CC[C@H](CCO)NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825114569 609180158 /nfs/dbraw/zinc/18/01/58/609180158.db2.gz NZIFJWUMUUGSJW-HIFRSBDPSA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@H](CCO)NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825114569 609180160 /nfs/dbraw/zinc/18/01/60/609180160.db2.gz NZIFJWUMUUGSJW-HIFRSBDPSA-N -1 3 387.444 0.822 20 0 GCADHM CCc1nnc2n1C[C@H](NC(=O)NCc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000825771682 609180309 /nfs/dbraw/zinc/18/03/09/609180309.db2.gz NZTJWMINTPOKRZ-GFCCVEGCSA-N -1 3 385.407 0.974 20 0 GCADHM CCc1nnc2n1C[C@H](NC(=O)NCc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000825771682 609180310 /nfs/dbraw/zinc/18/03/10/609180310.db2.gz NZTJWMINTPOKRZ-GFCCVEGCSA-N -1 3 385.407 0.974 20 0 GCADHM CC1(C)CN(S(=O)(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CCO1 ZINC000824807753 609180335 /nfs/dbraw/zinc/18/03/35/609180335.db2.gz MXGKJZFVGDAWAG-UHFFFAOYSA-N -1 3 378.458 0.801 20 0 GCADHM CC1(C)CN(S(=O)(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CCO1 ZINC000824807753 609180337 /nfs/dbraw/zinc/18/03/37/609180337.db2.gz MXGKJZFVGDAWAG-UHFFFAOYSA-N -1 3 378.458 0.801 20 0 GCADHM CCc1nnc2n1C[C@@H](NC(=O)NCc1ccc(OC)c(-c3nnn[n-]3)c1)CC2 ZINC000825771909 609181607 /nfs/dbraw/zinc/18/16/07/609181607.db2.gz VDWYCIIDCPLOKG-LBPRGKRZSA-N -1 3 397.443 0.843 20 0 GCADHM CCc1nnc2n1C[C@@H](NC(=O)NCc1ccc(OC)c(-c3nn[n-]n3)c1)CC2 ZINC000825771909 609181609 /nfs/dbraw/zinc/18/16/09/609181609.db2.gz VDWYCIIDCPLOKG-LBPRGKRZSA-N -1 3 397.443 0.843 20 0 GCADHM CN(C)C(=O)N1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC000825845933 609181815 /nfs/dbraw/zinc/18/18/15/609181815.db2.gz OMEVRBISGSEKMG-UHFFFAOYSA-N -1 3 393.473 0.633 20 0 GCADHM CN(C)C(=O)N1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000825845933 609181817 /nfs/dbraw/zinc/18/18/17/609181817.db2.gz OMEVRBISGSEKMG-UHFFFAOYSA-N -1 3 393.473 0.633 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccccc2O)CC1 ZINC000826397518 609183694 /nfs/dbraw/zinc/18/36/94/609183694.db2.gz FTAJDTIQNZHRHV-QGZVFWFLSA-N -1 3 380.408 0.955 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccccc2O)CC1 ZINC000826397518 609183696 /nfs/dbraw/zinc/18/36/96/609183696.db2.gz FTAJDTIQNZHRHV-QGZVFWFLSA-N -1 3 380.408 0.955 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000825958256 609188095 /nfs/dbraw/zinc/18/80/95/609188095.db2.gz PIGNGAUVDVTICQ-HNNXBMFYSA-N -1 3 388.428 0.930 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000825958256 609188096 /nfs/dbraw/zinc/18/80/96/609188096.db2.gz PIGNGAUVDVTICQ-HNNXBMFYSA-N -1 3 388.428 0.930 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000826398304 609188383 /nfs/dbraw/zinc/18/83/83/609188383.db2.gz UKJDOXAIUWHSGD-QGZVFWFLSA-N -1 3 379.424 0.640 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000826398304 609188384 /nfs/dbraw/zinc/18/83/84/609188384.db2.gz UKJDOXAIUWHSGD-QGZVFWFLSA-N -1 3 379.424 0.640 20 0 GCADHM Cc1nc(NC(=O)c2cnc(C)nc2C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826329907 609188769 /nfs/dbraw/zinc/18/87/69/609188769.db2.gz XNSDKVKQKGXFHZ-UHFFFAOYSA-N -1 3 376.384 0.837 20 0 GCADHM C[C@@H]1CN(C(C)(C)CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000824976122 609189151 /nfs/dbraw/zinc/18/91/51/609189151.db2.gz NDSAVOURGRTOFA-XJKCOSOUSA-N -1 3 388.472 0.904 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000826398829 609189774 /nfs/dbraw/zinc/18/97/74/609189774.db2.gz GYEMBRIYINEATC-INIZCTEOSA-N -1 3 384.440 0.761 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000826398829 609189775 /nfs/dbraw/zinc/18/97/75/609189775.db2.gz GYEMBRIYINEATC-INIZCTEOSA-N -1 3 384.440 0.761 20 0 GCADHM O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826436910 609194318 /nfs/dbraw/zinc/19/43/18/609194318.db2.gz OHKYTRSMCLAYMM-UHFFFAOYSA-N -1 3 386.416 0.569 20 0 GCADHM O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826436910 609194320 /nfs/dbraw/zinc/19/43/20/609194320.db2.gz OHKYTRSMCLAYMM-UHFFFAOYSA-N -1 3 386.416 0.569 20 0 GCADHM O=C(NCc1ccnc(-n2cccn2)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443645 609197144 /nfs/dbraw/zinc/19/71/44/609197144.db2.gz XNWUEBIXWOWCJO-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1ccnc(-n2cccn2)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443645 609197146 /nfs/dbraw/zinc/19/71/46/609197146.db2.gz XNWUEBIXWOWCJO-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM NC(=O)CCOc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826391287 609200018 /nfs/dbraw/zinc/20/00/18/609200018.db2.gz DVJFZAVOYFRJQR-MRXNPFEDSA-N -1 3 382.380 0.793 20 0 GCADHM NC(=O)CCOc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826391287 609200019 /nfs/dbraw/zinc/20/00/19/609200019.db2.gz DVJFZAVOYFRJQR-MRXNPFEDSA-N -1 3 382.380 0.793 20 0 GCADHM C[C@@H](O)CCN(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824699476 609201728 /nfs/dbraw/zinc/20/17/28/609201728.db2.gz SYLKVJIQEUUDRK-DOMZBBRYSA-N -1 3 387.444 0.774 20 0 GCADHM C[C@@H](O)CCN(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824699476 609201729 /nfs/dbraw/zinc/20/17/29/609201729.db2.gz SYLKVJIQEUUDRK-DOMZBBRYSA-N -1 3 387.444 0.774 20 0 GCADHM CC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825155026 609202589 /nfs/dbraw/zinc/20/25/89/609202589.db2.gz XHSGDNAKJVHEIN-HUUCEWRRSA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825155026 609202591 /nfs/dbraw/zinc/20/25/91/609202591.db2.gz XHSGDNAKJVHEIN-HUUCEWRRSA-N -1 3 387.444 0.822 20 0 GCADHM CN(C[C@H](O)C1CC1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825902192 609203032 /nfs/dbraw/zinc/20/30/32/609203032.db2.gz QIECXJWLMGCFSN-CVEARBPZSA-N -1 3 399.455 0.774 20 0 GCADHM CN(C[C@H](O)C1CC1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825902192 609203034 /nfs/dbraw/zinc/20/30/34/609203034.db2.gz QIECXJWLMGCFSN-CVEARBPZSA-N -1 3 399.455 0.774 20 0 GCADHM C[C@](CO)(NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000824435272 609203791 /nfs/dbraw/zinc/20/37/91/609203791.db2.gz NPMKYTASYYKQOB-DNVCBOLYSA-N -1 3 399.455 0.822 20 0 GCADHM C[C@](CO)(NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000824435272 609203792 /nfs/dbraw/zinc/20/37/92/609203792.db2.gz NPMKYTASYYKQOB-DNVCBOLYSA-N -1 3 399.455 0.822 20 0 GCADHM CC1(O)CCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824844559 609203878 /nfs/dbraw/zinc/20/38/78/609203878.db2.gz YAOMBQNXEXNYFD-HNNXBMFYSA-N -1 3 399.455 0.919 20 0 GCADHM CC1(O)CCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824844559 609203880 /nfs/dbraw/zinc/20/38/80/609203880.db2.gz YAOMBQNXEXNYFD-HNNXBMFYSA-N -1 3 399.455 0.919 20 0 GCADHM CC(C)[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824338178 609205352 /nfs/dbraw/zinc/20/53/52/609205352.db2.gz RPXYXUHLTRXOCS-HUUCEWRRSA-N -1 3 387.444 0.678 20 0 GCADHM CC(C)[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824338178 609205353 /nfs/dbraw/zinc/20/53/53/609205353.db2.gz RPXYXUHLTRXOCS-HUUCEWRRSA-N -1 3 387.444 0.678 20 0 GCADHM O=C(NCC1(O)CCC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826434013 609206864 /nfs/dbraw/zinc/20/68/64/609206864.db2.gz ZGOXWJZWNHPZGJ-AWEZNQCLSA-N -1 3 385.428 0.576 20 0 GCADHM O=C(NCC1(O)CCC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826434013 609206865 /nfs/dbraw/zinc/20/68/65/609206865.db2.gz ZGOXWJZWNHPZGJ-AWEZNQCLSA-N -1 3 385.428 0.576 20 0 GCADHM O=C(NC[C@@H]1CCC[C@H]1O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826434515 609206885 /nfs/dbraw/zinc/20/68/85/609206885.db2.gz OVPOZILRZIBAHK-NUEKZKHPSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(NC[C@@H]1CCC[C@H]1O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826434515 609206887 /nfs/dbraw/zinc/20/68/87/609206887.db2.gz OVPOZILRZIBAHK-NUEKZKHPSA-N -1 3 399.455 0.822 20 0 GCADHM CN(Cc1ccccc1)C(=O)CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825981527 609207182 /nfs/dbraw/zinc/20/71/82/609207182.db2.gz ULMSGNAMUSLROV-KRWDZBQOSA-N -1 3 380.408 0.675 20 0 GCADHM CN(Cc1ccccc1)C(=O)CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825981527 609207183 /nfs/dbraw/zinc/20/71/83/609207183.db2.gz ULMSGNAMUSLROV-KRWDZBQOSA-N -1 3 380.408 0.675 20 0 GCADHM CN(Cc1ccccc1)C(=O)CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825981533 609207229 /nfs/dbraw/zinc/20/72/29/609207229.db2.gz ULMSGNAMUSLROV-QGZVFWFLSA-N -1 3 380.408 0.675 20 0 GCADHM CN(Cc1ccccc1)C(=O)CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825981533 609207230 /nfs/dbraw/zinc/20/72/30/609207230.db2.gz ULMSGNAMUSLROV-QGZVFWFLSA-N -1 3 380.408 0.675 20 0 GCADHM O=C(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ccc(-n2cccn2)cc1 ZINC000826411510 609207602 /nfs/dbraw/zinc/20/76/02/609207602.db2.gz AZEVOYCTGGZISY-UHFFFAOYSA-N -1 3 377.368 0.749 20 0 GCADHM O=C(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ccc(-n2cccn2)cc1 ZINC000826411510 609207604 /nfs/dbraw/zinc/20/76/04/609207604.db2.gz AZEVOYCTGGZISY-UHFFFAOYSA-N -1 3 377.368 0.749 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824770406 609208039 /nfs/dbraw/zinc/20/80/39/609208039.db2.gz KASHEFNZYAEEBT-SECBINFHSA-N -1 3 375.414 0.675 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824770406 609208040 /nfs/dbraw/zinc/20/80/40/609208040.db2.gz KASHEFNZYAEEBT-SECBINFHSA-N -1 3 375.414 0.675 20 0 GCADHM NC(=O)C1CCN(c2ncccc2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000826390416 609208622 /nfs/dbraw/zinc/20/86/22/609208622.db2.gz YXDVFIJVDRRNIC-UHFFFAOYSA-N -1 3 395.427 0.222 20 0 GCADHM NC(=O)C1CCN(c2ncccc2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826390416 609208623 /nfs/dbraw/zinc/20/86/23/609208623.db2.gz YXDVFIJVDRRNIC-UHFFFAOYSA-N -1 3 395.427 0.222 20 0 GCADHM O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826427352 609211938 /nfs/dbraw/zinc/21/19/38/609211938.db2.gz NFOVHCSXLQIAPC-INIZCTEOSA-N -1 3 381.440 0.868 20 0 GCADHM O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826427352 609211940 /nfs/dbraw/zinc/21/19/40/609211940.db2.gz NFOVHCSXLQIAPC-INIZCTEOSA-N -1 3 381.440 0.868 20 0 GCADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCc2ccccc21 ZINC000826432508 609212652 /nfs/dbraw/zinc/21/26/52/609212652.db2.gz CVBUUVWNRIYOAG-SFHVURJKSA-N -1 3 392.419 0.996 20 0 GCADHM 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609215327 /nfs/dbraw/zinc/21/53/27/609215327.db2.gz OOMWMBVBPVJWRD-AWEZNQCLSA-N -1 3 388.409 0.327 20 0 GCADHM NS(=O)(=O)Cc1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826394555 609215329 /nfs/dbraw/zinc/21/53/29/609215329.db2.gz OOMWMBVBPVJWRD-AWEZNQCLSA-N -1 3 388.409 0.327 20 0 GCADHM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824285075 609215957 /nfs/dbraw/zinc/21/59/57/609215957.db2.gz WFSKYCUOWNBCIM-ZIAGYGMSSA-N -1 3 390.469 0.668 20 0 GCADHM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824285075 609215959 /nfs/dbraw/zinc/21/59/59/609215959.db2.gz WFSKYCUOWNBCIM-ZIAGYGMSSA-N -1 3 390.469 0.668 20 0 GCADHM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826429235 609217890 /nfs/dbraw/zinc/21/78/90/609217890.db2.gz XMYHSDFJMHUXFB-ZDUSSCGKSA-N -1 3 381.396 0.605 20 0 GCADHM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826429235 609217892 /nfs/dbraw/zinc/21/78/92/609217892.db2.gz XMYHSDFJMHUXFB-ZDUSSCGKSA-N -1 3 381.396 0.605 20 0 GCADHM CCNC(=O)CC(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000825464947 609218120 /nfs/dbraw/zinc/21/81/20/609218120.db2.gz FGKLGLVWPIZDCZ-UHFFFAOYSA-N -1 3 394.439 0.590 20 0 GCADHM CCNC(=O)CC(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000825464947 609218121 /nfs/dbraw/zinc/21/81/21/609218121.db2.gz FGKLGLVWPIZDCZ-UHFFFAOYSA-N -1 3 394.439 0.590 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824093746 609219060 /nfs/dbraw/zinc/21/90/60/609219060.db2.gz MNFXMGHZKKXITL-OLZOCXBDSA-N -1 3 390.469 0.716 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824093746 609219061 /nfs/dbraw/zinc/21/90/61/609219061.db2.gz MNFXMGHZKKXITL-OLZOCXBDSA-N -1 3 390.469 0.716 20 0 GCADHM CN(CCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000825937345 609219605 /nfs/dbraw/zinc/21/96/05/609219605.db2.gz AFCMJKMHWSBDBU-ZDUSSCGKSA-N -1 3 376.417 0.883 20 0 GCADHM CN(CCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000825937345 609219608 /nfs/dbraw/zinc/21/96/08/609219608.db2.gz AFCMJKMHWSBDBU-ZDUSSCGKSA-N -1 3 376.417 0.883 20 0 GCADHM Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000826324560 609225424 /nfs/dbraw/zinc/22/54/24/609225424.db2.gz WMQMNDNIORORAA-HOTGVXAUSA-N -1 3 382.428 0.972 20 0 GCADHM Cc1nc(C)n([C@H]2CCCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000826324560 609225426 /nfs/dbraw/zinc/22/54/26/609225426.db2.gz WMQMNDNIORORAA-HOTGVXAUSA-N -1 3 382.428 0.972 20 0 GCADHM CC(C)N1C(=S)N=NC1CCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824371694 609226923 /nfs/dbraw/zinc/22/69/23/609226923.db2.gz OQBDGCZAYAQNRD-CYBMUJFWSA-N -1 3 388.457 0.720 20 0 GCADHM CC(C)N1C(=S)N=NC1CCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824371694 609226925 /nfs/dbraw/zinc/22/69/25/609226925.db2.gz OQBDGCZAYAQNRD-CYBMUJFWSA-N -1 3 388.457 0.720 20 0 GCADHM O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431688 609227214 /nfs/dbraw/zinc/22/72/14/609227214.db2.gz HYWICSLWAFPAEZ-JKSUJKDBSA-N -1 3 378.392 0.822 20 0 GCADHM O=C(N[C@H]1CCN(c2ccccc2)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431688 609227215 /nfs/dbraw/zinc/22/72/15/609227215.db2.gz HYWICSLWAFPAEZ-JKSUJKDBSA-N -1 3 378.392 0.822 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000826320040 609228413 /nfs/dbraw/zinc/22/84/13/609228413.db2.gz DWKBXXMUQWCUJR-HOTGVXAUSA-N -1 3 383.412 0.333 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826320040 609228414 /nfs/dbraw/zinc/22/84/14/609228414.db2.gz DWKBXXMUQWCUJR-HOTGVXAUSA-N -1 3 383.412 0.333 20 0 GCADHM Cc1nc(CN2CCCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000826325820 609228427 /nfs/dbraw/zinc/22/84/27/609228427.db2.gz MZUZIJOCGVHQFD-MRXNPFEDSA-N -1 3 398.427 0.326 20 0 GCADHM Cc1nc(CN2CCCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000826325820 609228428 /nfs/dbraw/zinc/22/84/28/609228428.db2.gz MZUZIJOCGVHQFD-MRXNPFEDSA-N -1 3 398.427 0.326 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431981 609230077 /nfs/dbraw/zinc/23/00/77/609230077.db2.gz PIRRKMJTUOBZFK-ZBFHGGJFSA-N -1 3 396.382 0.961 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431981 609230079 /nfs/dbraw/zinc/23/00/79/609230079.db2.gz PIRRKMJTUOBZFK-ZBFHGGJFSA-N -1 3 396.382 0.961 20 0 GCADHM O=C(NCCCc1nnc2n1CCCCC2)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826437437 609230234 /nfs/dbraw/zinc/23/02/34/609230234.db2.gz LRVUOCAJLGVVEV-QGZVFWFLSA-N -1 3 396.455 0.967 20 0 GCADHM O=C(NCCCc1nnc2n1CCCCC2)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826437437 609230235 /nfs/dbraw/zinc/23/02/35/609230235.db2.gz LRVUOCAJLGVVEV-QGZVFWFLSA-N -1 3 396.455 0.967 20 0 GCADHM NC(=O)c1cc(OC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)ccn1 ZINC000826392733 609231745 /nfs/dbraw/zinc/23/17/45/609231745.db2.gz LFRPZYGZTIEEBJ-UHFFFAOYSA-N -1 3 382.384 0.372 20 0 GCADHM NC(=O)c1cc(OC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)ccn1 ZINC000826392733 609231746 /nfs/dbraw/zinc/23/17/46/609231746.db2.gz LFRPZYGZTIEEBJ-UHFFFAOYSA-N -1 3 382.384 0.372 20 0 GCADHM O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432737 609232977 /nfs/dbraw/zinc/23/29/77/609232977.db2.gz JIAKYRQWARLKEF-UKRRQHHQSA-N -1 3 385.405 0.545 20 0 GCADHM O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432737 609232979 /nfs/dbraw/zinc/23/29/79/609232979.db2.gz JIAKYRQWARLKEF-UKRRQHHQSA-N -1 3 385.405 0.545 20 0 GCADHM O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431353 609233416 /nfs/dbraw/zinc/23/34/16/609233416.db2.gz ZDKBSPXOIRKDRK-HOCLYGCPSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(N[C@H]1CCCN(c2cccnn2)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431353 609233418 /nfs/dbraw/zinc/23/34/18/609233418.db2.gz ZDKBSPXOIRKDRK-HOCLYGCPSA-N -1 3 380.412 0.475 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000826362507 609238418 /nfs/dbraw/zinc/23/84/18/609238418.db2.gz VQUIPQILINKMPT-ZBFHGGJFSA-N -1 3 382.428 0.419 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000826362507 609238419 /nfs/dbraw/zinc/23/84/19/609238419.db2.gz VQUIPQILINKMPT-ZBFHGGJFSA-N -1 3 382.428 0.419 20 0 GCADHM O=C(O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1nccn2ccnc12 ZINC000826462314 609239187 /nfs/dbraw/zinc/23/91/87/609239187.db2.gz URIPBPKIVWFHOP-ZDUSSCGKSA-N -1 3 390.363 0.872 20 0 GCADHM O=C(O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1nccn2ccnc12 ZINC000826462314 609239188 /nfs/dbraw/zinc/23/91/88/609239188.db2.gz URIPBPKIVWFHOP-ZDUSSCGKSA-N -1 3 390.363 0.872 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OCCC1OCCCO1 ZINC000826419657 609239268 /nfs/dbraw/zinc/23/92/68/609239268.db2.gz GTAQVSIEWCHFSM-UHFFFAOYSA-N -1 3 396.425 0.478 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OCCC1OCCCO1 ZINC000826419657 609239269 /nfs/dbraw/zinc/23/92/69/609239269.db2.gz GTAQVSIEWCHFSM-UHFFFAOYSA-N -1 3 396.425 0.478 20 0 GCADHM O=C(O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1nccn2ccnc12 ZINC000826463139 609239295 /nfs/dbraw/zinc/23/92/95/609239295.db2.gz UJZQUTXDENFVCV-SNVBAGLBSA-N -1 3 396.392 0.933 20 0 GCADHM O=C(O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1nccn2ccnc12 ZINC000826463139 609239297 /nfs/dbraw/zinc/23/92/97/609239297.db2.gz UJZQUTXDENFVCV-SNVBAGLBSA-N -1 3 396.392 0.933 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1nccn2ccnc12)c1cccc(-c2nnn[n-]2)c1 ZINC000826117905 609239343 /nfs/dbraw/zinc/23/93/43/609239343.db2.gz VBADCKOQCINLLP-ZDUSSCGKSA-N -1 3 379.336 0.981 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1nccn2ccnc12)c1cccc(-c2nn[n-]n2)c1 ZINC000826117905 609239345 /nfs/dbraw/zinc/23/93/45/609239345.db2.gz VBADCKOQCINLLP-ZDUSSCGKSA-N -1 3 379.336 0.981 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000826392886 609240177 /nfs/dbraw/zinc/24/01/77/609240177.db2.gz RELAQGLVANUOGB-WFASDCNBSA-N -1 3 396.411 0.128 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000826392886 609240178 /nfs/dbraw/zinc/24/01/78/609240178.db2.gz RELAQGLVANUOGB-WFASDCNBSA-N -1 3 396.411 0.128 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826090951 609240630 /nfs/dbraw/zinc/24/06/30/609240630.db2.gz RWLQYJSSVWPCRI-UHFFFAOYSA-N -1 3 393.347 0.982 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826090951 609240632 /nfs/dbraw/zinc/24/06/32/609240632.db2.gz RWLQYJSSVWPCRI-UHFFFAOYSA-N -1 3 393.347 0.982 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000826482429 609240843 /nfs/dbraw/zinc/24/08/43/609240843.db2.gz DMKOTASKAZJDDG-KBPBESRZSA-N -1 3 384.421 0.661 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000826482429 609240844 /nfs/dbraw/zinc/24/08/44/609240844.db2.gz DMKOTASKAZJDDG-KBPBESRZSA-N -1 3 384.421 0.661 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824315811 609243873 /nfs/dbraw/zinc/24/38/73/609243873.db2.gz ZNAYJBJZYRXXTD-HOTGVXAUSA-N -1 3 393.444 0.161 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824315811 609243874 /nfs/dbraw/zinc/24/38/74/609243874.db2.gz ZNAYJBJZYRXXTD-HOTGVXAUSA-N -1 3 393.444 0.161 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC000825846158 609245534 /nfs/dbraw/zinc/24/55/34/609245534.db2.gz UBZJXLNMJOPYMG-UHFFFAOYSA-N -1 3 387.444 0.850 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824364403 609245820 /nfs/dbraw/zinc/24/58/20/609245820.db2.gz DZVGUQSLJXEQJN-UKRRQHHQSA-N -1 3 382.428 0.746 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824364403 609245822 /nfs/dbraw/zinc/24/58/22/609245822.db2.gz DZVGUQSLJXEQJN-UKRRQHHQSA-N -1 3 382.428 0.746 20 0 GCADHM COc1cc(OC)cc([C@H](O)CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826181328 609248899 /nfs/dbraw/zinc/24/88/99/609248899.db2.gz UYYNKEMVLLCFJK-IAGOWNOFSA-N -1 3 399.407 0.767 20 0 GCADHM COc1cc(OC)cc([C@H](O)CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826181328 609248900 /nfs/dbraw/zinc/24/89/00/609248900.db2.gz UYYNKEMVLLCFJK-IAGOWNOFSA-N -1 3 399.407 0.767 20 0 GCADHM O=C(NC[C@@H]1COC2(CCOCC2)O1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826435622 609249734 /nfs/dbraw/zinc/24/97/34/609249734.db2.gz SEAORNDBDZVYJY-SNVBAGLBSA-N -1 3 381.339 0.797 20 0 GCADHM O=C(NC[C@@H]1COC2(CCOCC2)O1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826435622 609249736 /nfs/dbraw/zinc/24/97/36/609249736.db2.gz SEAORNDBDZVYJY-SNVBAGLBSA-N -1 3 381.339 0.797 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(N2CCCCC2=O)CC1 ZINC000826397295 609250172 /nfs/dbraw/zinc/25/01/72/609250172.db2.gz ZZNBCGSGRWWJGB-QGZVFWFLSA-N -1 3 384.440 0.904 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCCCC2=O)CC1 ZINC000826397295 609250174 /nfs/dbraw/zinc/25/01/74/609250174.db2.gz ZZNBCGSGRWWJGB-QGZVFWFLSA-N -1 3 384.440 0.904 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1N1CCOCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826429577 609250492 /nfs/dbraw/zinc/25/04/92/609250492.db2.gz HUEGVOHHNMALRU-BRWVUGGUSA-N -1 3 386.456 0.660 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826104154 609251002 /nfs/dbraw/zinc/25/10/02/609251002.db2.gz QQKGRNWSVBJWIT-UONOGXRCSA-N -1 3 377.401 0.325 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826104154 609251004 /nfs/dbraw/zinc/25/10/04/609251004.db2.gz QQKGRNWSVBJWIT-UONOGXRCSA-N -1 3 377.401 0.325 20 0 GCADHM CC(C)(C)OC(=O)N1CC(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824103503 609256450 /nfs/dbraw/zinc/25/64/50/609256450.db2.gz CSFYLJSFOODGBC-AWEZNQCLSA-N -1 3 388.428 0.883 20 0 GCADHM CC(C)(C)OC(=O)N1CC(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824103503 609256451 /nfs/dbraw/zinc/25/64/51/609256451.db2.gz CSFYLJSFOODGBC-AWEZNQCLSA-N -1 3 388.428 0.883 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000820734390 609259497 /nfs/dbraw/zinc/25/94/97/609259497.db2.gz MLUUJWMWEIHUNY-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000820734390 609259499 /nfs/dbraw/zinc/25/94/99/609259499.db2.gz MLUUJWMWEIHUNY-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM CN(C)C(=O)NCCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825845929 609259808 /nfs/dbraw/zinc/25/98/08/609259808.db2.gz OGOMOIOBVDWPAG-UHFFFAOYSA-N -1 3 375.433 0.803 20 0 GCADHM CN(C)C(=O)NCCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825845929 609259810 /nfs/dbraw/zinc/25/98/10/609259810.db2.gz OGOMOIOBVDWPAG-UHFFFAOYSA-N -1 3 375.433 0.803 20 0 GCADHM O=C(COC(=O)CC(=O)NCC(F)(F)F)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826404141 609260571 /nfs/dbraw/zinc/26/05/71/609260571.db2.gz PGNUFPMLNLJMCU-UHFFFAOYSA-N -1 3 386.290 0.417 20 0 GCADHM O=C(COC(=O)CC(=O)NCC(F)(F)F)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826404141 609260573 /nfs/dbraw/zinc/26/05/73/609260573.db2.gz PGNUFPMLNLJMCU-UHFFFAOYSA-N -1 3 386.290 0.417 20 0 GCADHM COC1(C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826143895 609260955 /nfs/dbraw/zinc/26/09/55/609260955.db2.gz VDPMAXSTRGXSEW-ZDUSSCGKSA-N -1 3 399.411 0.319 20 0 GCADHM COC1(C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826143895 609260957 /nfs/dbraw/zinc/26/09/57/609260957.db2.gz VDPMAXSTRGXSEW-ZDUSSCGKSA-N -1 3 399.411 0.319 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)Nc1cnccc1CO ZINC000826419950 609261673 /nfs/dbraw/zinc/26/16/73/609261673.db2.gz SJZBAOWFRYWNFY-UHFFFAOYSA-N -1 3 388.409 0.308 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1cnccc1CO ZINC000826419950 609261675 /nfs/dbraw/zinc/26/16/75/609261675.db2.gz SJZBAOWFRYWNFY-UHFFFAOYSA-N -1 3 388.409 0.308 20 0 GCADHM CCN1CCO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000825465026 609264974 /nfs/dbraw/zinc/26/49/74/609264974.db2.gz GGDUOILRRVEJJT-JKSUJKDBSA-N -1 3 399.455 0.199 20 0 GCADHM CN(C)C(=O)CCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825840869 609265471 /nfs/dbraw/zinc/26/54/71/609265471.db2.gz RFLOGWRQVPLIMZ-HNNXBMFYSA-N -1 3 399.455 0.737 20 0 GCADHM CN(C)C(=O)CCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825840869 609265472 /nfs/dbraw/zinc/26/54/72/609265472.db2.gz RFLOGWRQVPLIMZ-HNNXBMFYSA-N -1 3 399.455 0.737 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CSC(=O)N1 ZINC000826481905 609266038 /nfs/dbraw/zinc/26/60/38/609266038.db2.gz LLRDEZYNKSZEFG-VXGBXAGGSA-N -1 3 387.425 0.303 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CSC(=O)N1 ZINC000826481905 609266039 /nfs/dbraw/zinc/26/60/39/609266039.db2.gz LLRDEZYNKSZEFG-VXGBXAGGSA-N -1 3 387.425 0.303 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000824480122 609267112 /nfs/dbraw/zinc/26/71/12/609267112.db2.gz UBQSFYMPINFWFO-APPDUMDISA-N -1 3 398.398 0.974 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](O)c1ccc(F)cc1 ZINC000824480122 609267113 /nfs/dbraw/zinc/26/71/13/609267113.db2.gz UBQSFYMPINFWFO-APPDUMDISA-N -1 3 398.398 0.974 20 0 GCADHM O=C1N[C@H](Cc2ccccc2)C(=O)N1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826481843 609271630 /nfs/dbraw/zinc/27/16/30/609271630.db2.gz KCSXLPVCEIOQAI-CQSZACIVSA-N -1 3 378.396 0.837 20 0 GCADHM O=C1N[C@H](Cc2ccccc2)C(=O)N1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826481843 609271632 /nfs/dbraw/zinc/27/16/32/609271632.db2.gz KCSXLPVCEIOQAI-CQSZACIVSA-N -1 3 378.396 0.837 20 0 GCADHM Cn1c(=O)cc(CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)n(C)c1=O ZINC000826355325 609279281 /nfs/dbraw/zinc/27/92/81/609279281.db2.gz UNVCSVOKPOCEOQ-UHFFFAOYSA-N -1 3 397.374 0.201 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)Nc1cnc2c(c1)COCC2 ZINC000826438335 609282872 /nfs/dbraw/zinc/28/28/72/609282872.db2.gz YKPMYWNPOLMGLF-UHFFFAOYSA-N -1 3 381.400 0.963 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)Nc1cnc2c(c1)COCC2 ZINC000826438335 609282873 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ZINC000825902366 609294914 /nfs/dbraw/zinc/29/49/14/609294914.db2.gz SAJZTTIBXKBQGR-LLVKDONJSA-N -1 3 396.333 0.630 20 0 GCADHM CCOC(=O)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000825493936 609301948 /nfs/dbraw/zinc/30/19/48/609301948.db2.gz QYQCDLYCYKFTFE-XJKSGUPXSA-N -1 3 388.428 0.753 20 0 GCADHM CCOC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCOC1 ZINC000825493744 609304064 /nfs/dbraw/zinc/30/40/64/609304064.db2.gz MYEADWMZONEWNB-KFWWJZLASA-N -1 3 389.412 0.375 20 0 GCADHM CCOC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000825493744 609304065 /nfs/dbraw/zinc/30/40/65/609304065.db2.gz MYEADWMZONEWNB-KFWWJZLASA-N -1 3 389.412 0.375 20 0 GCADHM CCOC(=O)[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCOC1 ZINC000825493734 609304187 /nfs/dbraw/zinc/30/41/87/609304187.db2.gz MTKRHGMLYRLUGW-SWLSCSKDSA-N -1 3 389.416 0.148 20 0 GCADHM CCOC(=O)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCOC1 ZINC000825493734 609304188 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GCADHM CCOC(=O)c1cnc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nc1C ZINC000825565873 609315977 /nfs/dbraw/zinc/31/59/77/609315977.db2.gz ZFDXVFSSEXRMPF-UHFFFAOYSA-N -1 3 395.427 0.863 20 0 GCADHM CCOC(=O)c1cnc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nc1C ZINC000825565873 609315979 /nfs/dbraw/zinc/31/59/79/609315979.db2.gz ZFDXVFSSEXRMPF-UHFFFAOYSA-N -1 3 395.427 0.863 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCOC1 ZINC000825492999 609318112 /nfs/dbraw/zinc/31/81/12/609318112.db2.gz JKKWFTHTEJQZKY-TZMCWYRMSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000825492999 609318114 /nfs/dbraw/zinc/31/81/14/609318114.db2.gz JKKWFTHTEJQZKY-TZMCWYRMSA-N -1 3 395.441 0.503 20 0 GCADHM COC[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)OC ZINC000826149846 609318451 /nfs/dbraw/zinc/31/84/51/609318451.db2.gz QJDMLIDYCFHIFP-VIFPVBQESA-N -1 3 395.363 0.825 20 0 GCADHM CN(C)C(=O)CC1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825840389 609318563 /nfs/dbraw/zinc/31/85/63/609318563.db2.gz ORYKDBYKNWXJLT-UHFFFAOYSA-N -1 3 378.458 0.746 20 0 GCADHM CN(C)C(=O)CC1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825840389 609318565 /nfs/dbraw/zinc/31/85/65/609318565.db2.gz ORYKDBYKNWXJLT-UHFFFAOYSA-N -1 3 378.458 0.746 20 0 GCADHM COC[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F)OC ZINC000826149939 609318659 /nfs/dbraw/zinc/31/86/59/609318659.db2.gz SFDCMDPSSMLECS-SECBINFHSA-N -1 3 395.363 0.825 20 0 GCADHM COC[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)OC ZINC000826149939 609318661 /nfs/dbraw/zinc/31/86/61/609318661.db2.gz SFDCMDPSSMLECS-SECBINFHSA-N -1 3 395.363 0.825 20 0 GCADHM Cc1c[nH]cc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1=O ZINC000826319309 609320313 /nfs/dbraw/zinc/32/03/13/609320313.db2.gz XJZQQPLXJCAUPU-UHFFFAOYSA-N -1 3 379.424 0.821 20 0 GCADHM Cc1c[nH]cc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000826319309 609320314 /nfs/dbraw/zinc/32/03/14/609320314.db2.gz XJZQQPLXJCAUPU-UHFFFAOYSA-N -1 3 379.424 0.821 20 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ZINC000826494246 609330038 /nfs/dbraw/zinc/33/00/38/609330038.db2.gz UOLSLSDICMMFEQ-UHFFFAOYSA-N -1 3 396.383 0.762 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826128522 609346210 /nfs/dbraw/zinc/34/62/10/609346210.db2.gz FLPLNZYQEZMQTA-GLQYFDAESA-N -1 3 389.412 0.813 20 0 GCADHM Cn1cc(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cn1 ZINC000826362090 609354696 /nfs/dbraw/zinc/35/46/96/609354696.db2.gz CMGMRRYXANLMHL-UHFFFAOYSA-N -1 3 396.346 0.502 20 0 GCADHM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825909122 609356410 /nfs/dbraw/zinc/35/64/10/609356410.db2.gz RZFAXMJITGSHMF-HZMBPMFUSA-N -1 3 376.392 0.954 20 0 GCADHM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825909122 609356413 /nfs/dbraw/zinc/35/64/13/609356413.db2.gz RZFAXMJITGSHMF-HZMBPMFUSA-N -1 3 376.392 0.954 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825176134 609358181 /nfs/dbraw/zinc/35/81/81/609358181.db2.gz HKWUHLBFXQWSDZ-NSHDSACASA-N -1 3 399.390 0.934 20 0 GCADHM CC(CO)(CO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824436256 609358470 /nfs/dbraw/zinc/35/84/70/609358470.db2.gz RHNAZKTUTMXBFB-UHFFFAOYSA-N -1 3 376.352 0.056 20 0 GCADHM CN1CC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1=O ZINC000826028627 609358645 /nfs/dbraw/zinc/35/86/45/609358645.db2.gz DNTNBKSFKIRJSX-SNVBAGLBSA-N -1 3 385.363 0.544 20 0 GCADHM O=C(NCCCn1cncn1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826437554 609364130 /nfs/dbraw/zinc/36/41/30/609364130.db2.gz QEDWDNBFBCHTNM-UHFFFAOYSA-N -1 3 397.378 0.995 20 0 GCADHM O=C(CO)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000826414729 609367812 /nfs/dbraw/zinc/36/78/12/609367812.db2.gz GUBGXQOOHCSHIY-UHFFFAOYSA-N -1 3 381.234 0.266 20 0 GCADHM O=C(CO)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826414729 609367813 /nfs/dbraw/zinc/36/78/13/609367813.db2.gz GUBGXQOOHCSHIY-UHFFFAOYSA-N -1 3 381.234 0.266 20 0 GCADHM O=C(NCc1ccon1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826443206 609369520 /nfs/dbraw/zinc/36/95/20/609369520.db2.gz FZZRFXSBLPUKMB-UHFFFAOYSA-N -1 3 397.330 0.434 20 0 GCADHM O=C(NCC(F)F)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826433239 609369741 /nfs/dbraw/zinc/36/97/41/609369741.db2.gz YVXOZWWKYPRBBJ-UHFFFAOYSA-N -1 3 380.290 0.511 20 0 GCADHM CCc1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc(=O)[nH]1 ZINC000825694416 609375483 /nfs/dbraw/zinc/37/54/83/609375483.db2.gz PTDQFJBUYDPYOU-UHFFFAOYSA-N -1 3 380.412 0.887 20 0 GCADHM CCc1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc(=O)[nH]1 ZINC000825694416 609375486 /nfs/dbraw/zinc/37/54/86/609375486.db2.gz PTDQFJBUYDPYOU-UHFFFAOYSA-N -1 3 380.412 0.887 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000826390294 609379731 /nfs/dbraw/zinc/37/97/31/609379731.db2.gz WAQSTQXFYIJZMR-INIZCTEOSA-N -1 3 394.391 0.985 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000826390294 609379734 /nfs/dbraw/zinc/37/97/34/609379734.db2.gz WAQSTQXFYIJZMR-INIZCTEOSA-N -1 3 394.391 0.985 20 0 GCADHM CCc1nnc(N2CCN(Cc3nnc(C)[nH]3)CC2)c(-c2nn[n-]n2)c1CC ZINC000825767840 609385049 /nfs/dbraw/zinc/38/50/49/609385049.db2.gz QIHMHGPDJSRWKW-UHFFFAOYSA-N -1 3 383.464 0.530 20 0 GCADHM O=S(=O)(NC1CCCC1)C1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826488281 609386521 /nfs/dbraw/zinc/38/65/21/609386521.db2.gz MFJCHZSNMFHNGO-UHFFFAOYSA-N -1 3 383.865 0.966 20 0 GCADHM O=S(=O)(NC1CCCC1)C1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826488281 609386522 /nfs/dbraw/zinc/38/65/22/609386522.db2.gz MFJCHZSNMFHNGO-UHFFFAOYSA-N -1 3 383.865 0.966 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826245392 609388552 /nfs/dbraw/zinc/38/85/52/609388552.db2.gz WQCRVGPORLCSMA-INIZCTEOSA-N -1 3 386.456 0.738 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826245392 609388556 /nfs/dbraw/zinc/38/85/56/609388556.db2.gz WQCRVGPORLCSMA-INIZCTEOSA-N -1 3 386.456 0.738 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826245393 609388888 /nfs/dbraw/zinc/38/88/88/609388888.db2.gz WQCRVGPORLCSMA-MRXNPFEDSA-N -1 3 386.456 0.738 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826245393 609388890 /nfs/dbraw/zinc/38/88/90/609388890.db2.gz WQCRVGPORLCSMA-MRXNPFEDSA-N -1 3 386.456 0.738 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826470282 609389455 /nfs/dbraw/zinc/38/94/55/609389455.db2.gz KZOHRJPLZJLDTL-CYBMUJFWSA-N -1 3 378.458 0.492 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826470282 609389456 /nfs/dbraw/zinc/38/94/56/609389456.db2.gz KZOHRJPLZJLDTL-CYBMUJFWSA-N -1 3 378.458 0.492 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000825313798 609413873 /nfs/dbraw/zinc/41/38/73/609413873.db2.gz RMLDDRUYJLMSBR-UHFFFAOYSA-N -1 3 395.423 0.943 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000825313798 609413875 /nfs/dbraw/zinc/41/38/75/609413875.db2.gz RMLDDRUYJLMSBR-UHFFFAOYSA-N -1 3 395.423 0.943 20 0 GCADHM CN(CC1(CS(C)(=O)=O)CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825902556 609429727 /nfs/dbraw/zinc/42/97/27/609429727.db2.gz VXDPFNFRVZQNMD-UHFFFAOYSA-N -1 3 385.471 0.312 20 0 GCADHM CN(CC1(CS(C)(=O)=O)CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825902556 609429728 /nfs/dbraw/zinc/42/97/28/609429728.db2.gz VXDPFNFRVZQNMD-UHFFFAOYSA-N -1 3 385.471 0.312 20 0 GCADHM CNC(=O)[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2Br)CCO1 ZINC000826060791 609431100 /nfs/dbraw/zinc/43/11/00/609431100.db2.gz SXFBFHGFPHTTHN-LBPRGKRZSA-N -1 3 381.234 0.576 20 0 GCADHM CNC(=O)[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000826060791 609431102 /nfs/dbraw/zinc/43/11/02/609431102.db2.gz SXFBFHGFPHTTHN-LBPRGKRZSA-N -1 3 381.234 0.576 20 0 GCADHM CCN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1cn(C)nn1 ZINC000825424399 609434279 /nfs/dbraw/zinc/43/42/79/609434279.db2.gz FONLOPLSRXAZLG-UHFFFAOYSA-N -1 3 376.446 0.291 20 0 GCADHM CCN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1cn(C)nn1 ZINC000825424399 609434282 /nfs/dbraw/zinc/43/42/82/609434282.db2.gz FONLOPLSRXAZLG-UHFFFAOYSA-N -1 3 376.446 0.291 20 0 GCADHM NC(Cn1cccn1)=NO[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826393900 609434372 /nfs/dbraw/zinc/43/43/72/609434372.db2.gz OHGRFQKHHCPKPN-AWEZNQCLSA-N -1 3 381.400 0.757 20 0 GCADHM NC(Cn1cccn1)=NO[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826393900 609434375 /nfs/dbraw/zinc/43/43/75/609434375.db2.gz OHGRFQKHHCPKPN-AWEZNQCLSA-N -1 3 381.400 0.757 20 0 GCADHM COCc1ccccc1S(=O)(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826165074 609437683 /nfs/dbraw/zinc/43/76/83/609437683.db2.gz DRMQTYQPCUWMGK-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM COCc1ccccc1S(=O)(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826165074 609437685 /nfs/dbraw/zinc/43/76/85/609437685.db2.gz DRMQTYQPCUWMGK-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM CCOC(=O)[C@H](NCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000825494285 609439588 /nfs/dbraw/zinc/43/95/88/609439588.db2.gz VHZZOTTWYLOMSZ-XJKSGUPXSA-N -1 3 388.428 0.753 20 0 GCADHM CCOC(=O)[C@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC000825494285 609439590 /nfs/dbraw/zinc/43/95/90/609439590.db2.gz VHZZOTTWYLOMSZ-XJKSGUPXSA-N -1 3 388.428 0.753 20 0 GCADHM CCOC(=O)[C@H](NCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000825494284 609439809 /nfs/dbraw/zinc/43/98/09/609439809.db2.gz VHZZOTTWYLOMSZ-CZUORRHYSA-N -1 3 388.428 0.753 20 0 GCADHM CCOC(=O)[C@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC000825494284 609439811 /nfs/dbraw/zinc/43/98/11/609439811.db2.gz VHZZOTTWYLOMSZ-CZUORRHYSA-N -1 3 388.428 0.753 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826391676 609454235 /nfs/dbraw/zinc/45/42/35/609454235.db2.gz WOFRNRDDGSPBJU-UHFFFAOYSA-N -1 3 386.347 0.191 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826391676 609454237 /nfs/dbraw/zinc/45/42/37/609454237.db2.gz WOFRNRDDGSPBJU-UHFFFAOYSA-N -1 3 386.347 0.191 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000825875384 609455088 /nfs/dbraw/zinc/45/50/88/609455088.db2.gz NMNQBUOEAPTDIQ-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000825875384 609455090 /nfs/dbraw/zinc/45/50/90/609455090.db2.gz NMNQBUOEAPTDIQ-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM O=C(CN1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000826410970 609457631 /nfs/dbraw/zinc/45/76/31/609457631.db2.gz GBTVZLKSFGPCHC-UHFFFAOYSA-N -1 3 381.444 0.259 20 0 GCADHM O=C(CN1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000826410970 609457632 /nfs/dbraw/zinc/45/76/32/609457632.db2.gz GBTVZLKSFGPCHC-UHFFFAOYSA-N -1 3 381.444 0.259 20 0 GCADHM CN1N=C(C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC1=O ZINC000826051843 609462435 /nfs/dbraw/zinc/46/24/35/609462435.db2.gz OFPLRDGTVUXOOW-AWEZNQCLSA-N -1 3 397.395 0.514 20 0 GCADHM CN1N=C(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC1=O ZINC000826051843 609462436 /nfs/dbraw/zinc/46/24/36/609462436.db2.gz OFPLRDGTVUXOOW-AWEZNQCLSA-N -1 3 397.395 0.514 20 0 GCADHM CN1CC[C@@H](C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826022356 609462561 /nfs/dbraw/zinc/46/25/61/609462561.db2.gz KTHGTKSJAHBVBC-HIFRSBDPSA-N -1 3 398.423 0.774 20 0 GCADHM CN1CC[C@@H](C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826022356 609462562 /nfs/dbraw/zinc/46/25/62/609462562.db2.gz KTHGTKSJAHBVBC-HIFRSBDPSA-N -1 3 398.423 0.774 20 0 GCADHM Nc1nccnc1C(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826396879 609463493 /nfs/dbraw/zinc/46/34/93/609463493.db2.gz NHUJZXKGCXUZMF-LBPRGKRZSA-N -1 3 380.368 0.591 20 0 GCADHM Nc1nccnc1C(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826396879 609463495 /nfs/dbraw/zinc/46/34/95/609463495.db2.gz NHUJZXKGCXUZMF-LBPRGKRZSA-N -1 3 380.368 0.591 20 0 GCADHM COCCCNC(=O)C1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826156523 609464116 /nfs/dbraw/zinc/46/41/16/609464116.db2.gz HZDTZQAIBSUUNS-UHFFFAOYSA-N -1 3 384.444 0.884 20 0 GCADHM COCCCNC(=O)C1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826156523 609464117 /nfs/dbraw/zinc/46/41/17/609464117.db2.gz HZDTZQAIBSUUNS-UHFFFAOYSA-N -1 3 384.444 0.884 20 0 GCADHM CN1C[C@H](C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826018322 609464967 /nfs/dbraw/zinc/46/49/67/609464967.db2.gz VWOOATNBHBMLHV-OCCSQVGLSA-N -1 3 384.396 0.384 20 0 GCADHM CN1C[C@H](C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826018322 609464969 /nfs/dbraw/zinc/46/49/69/609464969.db2.gz VWOOATNBHBMLHV-OCCSQVGLSA-N -1 3 384.396 0.384 20 0 GCADHM CN(C1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000825888611 609466428 /nfs/dbraw/zinc/46/64/28/609466428.db2.gz SQYQOGXFXQSXHE-UHFFFAOYSA-N -1 3 376.446 0.375 20 0 GCADHM CN(C1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000825888611 609466430 /nfs/dbraw/zinc/46/64/30/609466430.db2.gz SQYQOGXFXQSXHE-UHFFFAOYSA-N -1 3 376.446 0.375 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CCC(=O)NC1 ZINC000826479896 609466486 /nfs/dbraw/zinc/46/64/86/609466486.db2.gz LPKBXYYEVQMZJP-GXTWGEPZSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CCC(=O)NC1 ZINC000826479896 609466489 /nfs/dbraw/zinc/46/64/89/609466489.db2.gz LPKBXYYEVQMZJP-GXTWGEPZSA-N -1 3 384.396 0.432 20 0 GCADHM CNC(=O)C1(C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826051818 609466935 /nfs/dbraw/zinc/46/69/35/609466935.db2.gz NPHHSVYHQNPVNY-ZDUSSCGKSA-N -1 3 384.396 0.432 20 0 GCADHM CNC(=O)C1(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826051818 609466936 /nfs/dbraw/zinc/46/69/36/609466936.db2.gz NPHHSVYHQNPVNY-ZDUSSCGKSA-N -1 3 384.396 0.432 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)NC(=O)NC(C)(C)C ZINC000826162026 609483697 /nfs/dbraw/zinc/48/36/97/609483697.db2.gz JYLHBPSDGNBNCW-UHFFFAOYSA-N -1 3 391.432 0.928 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)NC(=O)NC(C)(C)C ZINC000826162026 609483699 /nfs/dbraw/zinc/48/36/99/609483699.db2.gz JYLHBPSDGNBNCW-UHFFFAOYSA-N -1 3 391.432 0.928 20 0 GCADHM CCOC(=O)c1ccc(N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc1 ZINC000825560293 609491947 /nfs/dbraw/zinc/49/19/47/609491947.db2.gz PBFUWQWFRJFAPI-UHFFFAOYSA-N -1 3 382.384 0.385 20 0 GCADHM CCOC(=O)c1ccc(N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc1 ZINC000825560293 609491948 /nfs/dbraw/zinc/49/19/48/609491948.db2.gz PBFUWQWFRJFAPI-UHFFFAOYSA-N -1 3 382.384 0.385 20 0 GCADHM O=S(=O)([C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1)N1CCOCC1 ZINC000826483931 609493988 /nfs/dbraw/zinc/49/39/88/609493988.db2.gz GLEYUXSZDIEWEH-HNNXBMFYSA-N -1 3 378.458 0.498 20 0 GCADHM O=S(=O)([C@H]1CCCN(Cc2cc(-c3nnn[n-]3)cs2)C1)N1CCOCC1 ZINC000826483965 609495636 /nfs/dbraw/zinc/49/56/36/609495636.db2.gz HPFLHFLUYHNLFL-AWEZNQCLSA-N -1 3 398.514 0.555 20 0 GCADHM O=S(=O)([C@H]1CCCN(Cc2cc(-c3nn[n-]n3)cs2)C1)N1CCOCC1 ZINC000826483965 609495637 /nfs/dbraw/zinc/49/56/37/609495637.db2.gz HPFLHFLUYHNLFL-AWEZNQCLSA-N -1 3 398.514 0.555 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 ZINC000826279598 609497061 /nfs/dbraw/zinc/49/70/61/609497061.db2.gz VQINZTDFWLNFCA-SNVBAGLBSA-N -1 3 390.429 0.066 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(n2cc([C@@H](C)O)nn2)C1 ZINC000826279598 609497063 /nfs/dbraw/zinc/49/70/63/609497063.db2.gz VQINZTDFWLNFCA-SNVBAGLBSA-N -1 3 390.429 0.066 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC(n2cc([C@H](C)O)nn2)C1 ZINC000826254950 609497142 /nfs/dbraw/zinc/49/71/42/609497142.db2.gz GLIJMSGITCOKPB-JTQLQIEISA-N -1 3 390.429 0.066 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC(n2cc([C@H](C)O)nn2)C1 ZINC000826254950 609497144 /nfs/dbraw/zinc/49/71/44/609497144.db2.gz GLIJMSGITCOKPB-JTQLQIEISA-N -1 3 390.429 0.066 20 0 GCADHM Cc1nc([C@@H]2COCCN2CC(=O)NCc2cccc(-c3nnn[n-]3)c2)no1 ZINC000826325171 609497334 /nfs/dbraw/zinc/49/73/34/609497334.db2.gz PPVUXEDBUNVUNB-AWEZNQCLSA-N -1 3 384.400 0.248 20 0 GCADHM Cc1nc([C@@H]2COCCN2CC(=O)NCc2cccc(-c3nn[n-]n3)c2)no1 ZINC000826325171 609497335 /nfs/dbraw/zinc/49/73/35/609497335.db2.gz PPVUXEDBUNVUNB-AWEZNQCLSA-N -1 3 384.400 0.248 20 0 GCADHM Cc1nc([C@H]2COCCN2C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826324844 609497513 /nfs/dbraw/zinc/49/75/13/609497513.db2.gz GUCHWWUKWXKTRN-UKRRQHHQSA-N -1 3 387.400 0.371 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826325315 609498212 /nfs/dbraw/zinc/49/82/12/609498212.db2.gz UCTITSZEAJASAS-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826325315 609498215 /nfs/dbraw/zinc/49/82/15/609498215.db2.gz UCTITSZEAJASAS-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM COCc1nc([C@H]2COCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)no1 ZINC000826165241 609503003 /nfs/dbraw/zinc/50/30/03/609503003.db2.gz LRPKMFFREWUBKO-CYBMUJFWSA-N -1 3 385.384 0.539 20 0 GCADHM COCc1nc([C@H]2COCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)no1 ZINC000826165241 609503005 /nfs/dbraw/zinc/50/30/05/609503005.db2.gz LRPKMFFREWUBKO-CYBMUJFWSA-N -1 3 385.384 0.539 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)Cc2cccc(-c3nnn[n-]3)c2)no1 ZINC000826165242 609503084 /nfs/dbraw/zinc/50/30/84/609503084.db2.gz LRPKMFFREWUBKO-ZDUSSCGKSA-N -1 3 385.384 0.539 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)Cc2cccc(-c3nn[n-]n3)c2)no1 ZINC000826165242 609503086 /nfs/dbraw/zinc/50/30/86/609503086.db2.gz LRPKMFFREWUBKO-ZDUSSCGKSA-N -1 3 385.384 0.539 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)c3ncc(-c4nnn[n-]4)cc3Cl)CCO2)no1 ZINC000826324885 609503454 /nfs/dbraw/zinc/50/34/54/609503454.db2.gz HXISUODDCXPNAC-JTQLQIEISA-N -1 3 376.764 0.820 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)c3ncc(-c4nn[n-]n4)cc3Cl)CCO2)no1 ZINC000826324885 609503455 /nfs/dbraw/zinc/50/34/55/609503455.db2.gz HXISUODDCXPNAC-JTQLQIEISA-N -1 3 376.764 0.820 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826324948 609503705 /nfs/dbraw/zinc/50/37/05/609503705.db2.gz JJOBWURTAFSAKG-HZMBPMFUSA-N -1 3 385.384 0.926 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CCO2)no1 ZINC000826325396 609503723 /nfs/dbraw/zinc/50/37/23/609503723.db2.gz WIYRFXHRNUPZBW-HZMBPMFUSA-N -1 3 385.384 0.926 20 0 GCADHM NC(=O)[C@H](Cc1ccc(F)cc1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826389358 609505451 /nfs/dbraw/zinc/50/54/51/609505451.db2.gz WBTRKDMFVGFQBB-INIZCTEOSA-N -1 3 396.430 0.619 20 0 GCADHM NC(=O)[C@H](Cc1ccc(F)cc1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826389358 609505453 /nfs/dbraw/zinc/50/54/53/609505453.db2.gz WBTRKDMFVGFQBB-INIZCTEOSA-N -1 3 396.430 0.619 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825522113 609505844 /nfs/dbraw/zinc/50/58/44/609505844.db2.gz BSNLJDQIFCLJMS-UHFFFAOYSA-N -1 3 380.430 0.471 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825522113 609505846 /nfs/dbraw/zinc/50/58/46/609505846.db2.gz BSNLJDQIFCLJMS-UHFFFAOYSA-N -1 3 380.430 0.471 20 0 GCADHM COCCNC(=S)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826160245 609510847 /nfs/dbraw/zinc/51/08/47/609510847.db2.gz KRUVEVRHKKIYMU-ZDUSSCGKSA-N -1 3 375.458 0.473 20 0 GCADHM COCCNC(=S)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826160245 609510848 /nfs/dbraw/zinc/51/08/48/609510848.db2.gz KRUVEVRHKKIYMU-ZDUSSCGKSA-N -1 3 375.458 0.473 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)Oc1ccc(-n2cnnn2)cc1 ZINC000826486598 609511228 /nfs/dbraw/zinc/51/12/28/609511228.db2.gz IPYYOCMMEMMUAK-UHFFFAOYSA-N -1 3 384.381 0.751 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(-n2cnnn2)cc1 ZINC000826486598 609511230 /nfs/dbraw/zinc/51/12/30/609511230.db2.gz IPYYOCMMEMMUAK-UHFFFAOYSA-N -1 3 384.381 0.751 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825471447 609512810 /nfs/dbraw/zinc/51/28/10/609512810.db2.gz UHWBGQNZBJQDCI-UHFFFAOYSA-N -1 3 379.446 0.044 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825471447 609512814 /nfs/dbraw/zinc/51/28/14/609512814.db2.gz UHWBGQNZBJQDCI-UHFFFAOYSA-N -1 3 379.446 0.044 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)NCCCOC[C@H]1CCCO1 ZINC000826485878 609513609 /nfs/dbraw/zinc/51/36/09/609513609.db2.gz GOBMCUISXVPQHG-OAHLLOKOSA-N -1 3 381.458 0.872 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)NCCCOC[C@H]1CCCO1 ZINC000826485878 609513611 /nfs/dbraw/zinc/51/36/11/609513611.db2.gz GOBMCUISXVPQHG-OAHLLOKOSA-N -1 3 381.458 0.872 20 0 GCADHM COCc1nc(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)no1 ZINC000826165166 609514992 /nfs/dbraw/zinc/51/49/92/609514992.db2.gz IJRNHFNOCWLFPK-INIZCTEOSA-N -1 3 384.356 0.363 20 0 GCADHM COCc1nc(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)no1 ZINC000826165166 609514993 /nfs/dbraw/zinc/51/49/93/609514993.db2.gz IJRNHFNOCWLFPK-INIZCTEOSA-N -1 3 384.356 0.363 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000826494110 609516603 /nfs/dbraw/zinc/51/66/03/609516603.db2.gz OTGSPZDHPXWOCV-UHFFFAOYSA-N -1 3 385.453 0.768 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000826494110 609516605 /nfs/dbraw/zinc/51/66/05/609516605.db2.gz OTGSPZDHPXWOCV-UHFFFAOYSA-N -1 3 385.453 0.768 20 0 GCADHM COCc1nc(CSCC(=O)NCc2cccc(-c3nnn[n-]3)c2)no1 ZINC000826165836 609519531 /nfs/dbraw/zinc/51/95/31/609519531.db2.gz LVQHKNBKTFJSFW-UHFFFAOYSA-N -1 3 375.414 0.946 20 0 GCADHM COCc1nc(CSCC(=O)NCc2cccc(-c3nn[n-]n3)c2)no1 ZINC000826165836 609519533 /nfs/dbraw/zinc/51/95/33/609519533.db2.gz LVQHKNBKTFJSFW-UHFFFAOYSA-N -1 3 375.414 0.946 20 0 GCADHM COCc1nc(CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826166106 609519838 /nfs/dbraw/zinc/51/98/38/609519838.db2.gz WAXNEPSBYSRGCQ-UHFFFAOYSA-N -1 3 375.414 0.946 20 0 GCADHM COCc1nc(CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826166106 609519840 /nfs/dbraw/zinc/51/98/40/609519840.db2.gz WAXNEPSBYSRGCQ-UHFFFAOYSA-N -1 3 375.414 0.946 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826237754 609524125 /nfs/dbraw/zinc/52/41/25/609524125.db2.gz KMPSDTPJKQDKPM-UHFFFAOYSA-N -1 3 392.851 0.397 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826237754 609524127 /nfs/dbraw/zinc/52/41/27/609524127.db2.gz KMPSDTPJKQDKPM-UHFFFAOYSA-N -1 3 392.851 0.397 20 0 GCADHM Cc1ccnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826310753 609527494 /nfs/dbraw/zinc/52/74/94/609527494.db2.gz HIQYNMDVCDQUAC-INIZCTEOSA-N -1 3 378.440 0.919 20 0 GCADHM Cc1ccnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826310753 609527496 /nfs/dbraw/zinc/52/74/96/609527496.db2.gz HIQYNMDVCDQUAC-INIZCTEOSA-N -1 3 378.440 0.919 20 0 GCADHM Cc1ccnc(N2CCN(c3ncnc4c3cnn4C)CC2)c1-c1nnn[n-]1 ZINC000826311244 609527552 /nfs/dbraw/zinc/52/75/52/609527552.db2.gz YGZFPZOBSXNXTH-UHFFFAOYSA-N -1 3 377.416 0.573 20 0 GCADHM Cc1ccnc(N2CCN(c3ncnc4c3cnn4C)CC2)c1-c1nn[n-]n1 ZINC000826311244 609527553 /nfs/dbraw/zinc/52/75/53/609527553.db2.gz YGZFPZOBSXNXTH-UHFFFAOYSA-N -1 3 377.416 0.573 20 0 GCADHM COCCOCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826160668 609537080 /nfs/dbraw/zinc/53/70/80/609537080.db2.gz AQKVAUNHJMLADV-UHFFFAOYSA-N -1 3 375.838 0.852 20 0 GCADHM COCCOCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826160668 609537081 /nfs/dbraw/zinc/53/70/81/609537081.db2.gz AQKVAUNHJMLADV-UHFFFAOYSA-N -1 3 375.838 0.852 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826428821 609537131 /nfs/dbraw/zinc/53/71/31/609537131.db2.gz MGNBVWUVTUYTOI-LBPRGKRZSA-N -1 3 396.860 0.952 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826428821 609537132 /nfs/dbraw/zinc/53/71/32/609537132.db2.gz MGNBVWUVTUYTOI-LBPRGKRZSA-N -1 3 396.860 0.952 20 0 GCADHM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826497091 609537870 /nfs/dbraw/zinc/53/78/70/609537870.db2.gz ULWWLDSJGRWMSY-QMMMGPOBSA-N -1 3 391.862 0.233 20 0 GCADHM O=S(=O)(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826497091 609537873 /nfs/dbraw/zinc/53/78/73/609537873.db2.gz ULWWLDSJGRWMSY-QMMMGPOBSA-N -1 3 391.862 0.233 20 0 GCADHM CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000825845374 609538573 /nfs/dbraw/zinc/53/85/73/609538573.db2.gz GGFRBJYMOQLWED-UHFFFAOYSA-N -1 3 399.864 0.508 20 0 GCADHM CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000825845374 609538574 /nfs/dbraw/zinc/53/85/74/609538574.db2.gz GGFRBJYMOQLWED-UHFFFAOYSA-N -1 3 399.864 0.508 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)N1CCCCC1 ZINC000826412977 609539289 /nfs/dbraw/zinc/53/92/89/609539289.db2.gz LXACIFKZNNGCKU-UHFFFAOYSA-N -1 3 384.849 0.811 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)N1CCCCC1 ZINC000826412977 609539291 /nfs/dbraw/zinc/53/92/91/609539291.db2.gz LXACIFKZNNGCKU-UHFFFAOYSA-N -1 3 384.849 0.811 20 0 GCADHM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1=O ZINC000824296953 609542458 /nfs/dbraw/zinc/54/24/58/609542458.db2.gz MWBZFJAMZQMKHC-SNVBAGLBSA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1=O ZINC000824296953 609542460 /nfs/dbraw/zinc/54/24/60/609542460.db2.gz MWBZFJAMZQMKHC-SNVBAGLBSA-N -1 3 384.849 0.808 20 0 GCADHM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826124141 609554246 /nfs/dbraw/zinc/55/42/46/609554246.db2.gz PIOAKNNOJVENKP-ZDUSSCGKSA-N -1 3 389.796 0.796 20 0 GCADHM COC(=O)[C@]1(F)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826124141 609554248 /nfs/dbraw/zinc/55/42/48/609554248.db2.gz PIOAKNNOJVENKP-ZDUSSCGKSA-N -1 3 389.796 0.796 20 0 GCADHM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826390793 609554427 /nfs/dbraw/zinc/55/44/27/609554427.db2.gz MDLQKVARMIXQJO-VIFPVBQESA-N -1 3 384.849 0.796 20 0 GCADHM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826390793 609554429 /nfs/dbraw/zinc/55/44/29/609554429.db2.gz MDLQKVARMIXQJO-VIFPVBQESA-N -1 3 384.849 0.796 20 0 GCADHM O=C1CC2(CN1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000826480034 609554867 /nfs/dbraw/zinc/55/48/67/609554867.db2.gz PINFNIXDBUPZJL-UHFFFAOYSA-N -1 3 396.860 0.811 20 0 GCADHM O=C1CC2(CN1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000826480034 609554869 /nfs/dbraw/zinc/55/48/69/609554869.db2.gz PINFNIXDBUPZJL-UHFFFAOYSA-N -1 3 396.860 0.811 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824440643 609554942 /nfs/dbraw/zinc/55/49/42/609554942.db2.gz HQQPZFAMXZKWTN-ONGXEEELSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824440643 609554944 /nfs/dbraw/zinc/55/49/44/609554944.db2.gz HQQPZFAMXZKWTN-ONGXEEELSA-N -1 3 387.849 0.992 20 0 GCADHM CCS(=O)(=O)CCNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825662725 609555307 /nfs/dbraw/zinc/55/53/07/609555307.db2.gz BFWUEWABQWFJIZ-UHFFFAOYSA-N -1 3 389.441 0.525 20 0 GCADHM CCS(=O)(=O)CCNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825662725 609555309 /nfs/dbraw/zinc/55/53/09/609555309.db2.gz BFWUEWABQWFJIZ-UHFFFAOYSA-N -1 3 389.441 0.525 20 0 GCADHM O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826488064 609556327 /nfs/dbraw/zinc/55/63/27/609556327.db2.gz HQHVCMNWOJBNIE-SNVBAGLBSA-N -1 3 380.821 0.925 20 0 GCADHM O=S(=O)(N[C@@H]1CCCn2ncnc21)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826488064 609556329 /nfs/dbraw/zinc/55/63/29/609556329.db2.gz HQHVCMNWOJBNIE-SNVBAGLBSA-N -1 3 380.821 0.925 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000826393399 609556524 /nfs/dbraw/zinc/55/65/24/609556524.db2.gz QFLVSQKRNQEBNW-UHFFFAOYSA-N -1 3 393.816 0.493 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000826393399 609556527 /nfs/dbraw/zinc/55/65/27/609556527.db2.gz QFLVSQKRNQEBNW-UHFFFAOYSA-N -1 3 393.816 0.493 20 0 GCADHM O=S(=O)(NCCCO[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826491219 609557458 /nfs/dbraw/zinc/55/74/58/609557458.db2.gz YIABOOIIYUTBGQ-NSHDSACASA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(NCCCO[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826491219 609557460 /nfs/dbraw/zinc/55/74/60/609557460.db2.gz YIABOOIIYUTBGQ-NSHDSACASA-N -1 3 387.849 0.994 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000824641628 609559350 /nfs/dbraw/zinc/55/93/50/609559350.db2.gz XUFSOEYHWQHSJG-SKDRFNHKSA-N -1 3 386.865 0.518 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000824641628 609559351 /nfs/dbraw/zinc/55/93/51/609559351.db2.gz XUFSOEYHWQHSJG-SKDRFNHKSA-N -1 3 386.865 0.518 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)S(C)(=O)=O ZINC000824428948 609559635 /nfs/dbraw/zinc/55/96/35/609559635.db2.gz UYSDWEBLSNNRGH-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)S(C)(=O)=O ZINC000824428948 609559638 /nfs/dbraw/zinc/55/96/38/609559638.db2.gz UYSDWEBLSNNRGH-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM COCC1(O)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826153043 609563109 /nfs/dbraw/zinc/56/31/09/609563109.db2.gz ABKJSKCLHKIIPL-UHFFFAOYSA-N -1 3 387.849 0.682 20 0 GCADHM COCC1(O)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826153043 609563112 /nfs/dbraw/zinc/56/31/12/609563112.db2.gz ABKJSKCLHKIIPL-UHFFFAOYSA-N -1 3 387.849 0.682 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258067 609577294 /nfs/dbraw/zinc/57/72/94/609577294.db2.gz YEGLOHYARAYTPT-IRXDYDNUSA-N -1 3 394.439 0.516 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258067 609577296 /nfs/dbraw/zinc/57/72/96/609577296.db2.gz YEGLOHYARAYTPT-IRXDYDNUSA-N -1 3 394.439 0.516 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c1-c1nnn[n-]1 ZINC000826302818 609583900 /nfs/dbraw/zinc/58/39/00/609583900.db2.gz TWCUKEDCNNIFKO-LLVKDONJSA-N -1 3 376.442 0.464 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c1-c1nn[n-]n1 ZINC000826302818 609583902 /nfs/dbraw/zinc/58/39/02/609583902.db2.gz TWCUKEDCNNIFKO-LLVKDONJSA-N -1 3 376.442 0.464 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826280363 609584964 /nfs/dbraw/zinc/58/49/64/609584964.db2.gz YUXKHTNMEHDBQM-NSHDSACASA-N -1 3 376.442 0.464 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826280363 609584967 /nfs/dbraw/zinc/58/49/67/609584967.db2.gz YUXKHTNMEHDBQM-NSHDSACASA-N -1 3 376.442 0.464 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826280362 609585190 /nfs/dbraw/zinc/58/51/90/609585190.db2.gz YUXKHTNMEHDBQM-LLVKDONJSA-N -1 3 376.442 0.464 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826280362 609585191 /nfs/dbraw/zinc/58/51/91/609585191.db2.gz YUXKHTNMEHDBQM-LLVKDONJSA-N -1 3 376.442 0.464 20 0 GCADHM CCN(C)S(=O)(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825390977 609586950 /nfs/dbraw/zinc/58/69/50/609586950.db2.gz QWRXANKYDOSMOD-ZDUSSCGKSA-N -1 3 379.446 0.148 20 0 GCADHM CCN(C)S(=O)(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825390977 609586952 /nfs/dbraw/zinc/58/69/52/609586952.db2.gz QWRXANKYDOSMOD-ZDUSSCGKSA-N -1 3 379.446 0.148 20 0 GCADHM Cc1cc(C(=O)Nc2nccn(C)c2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260824 609589866 /nfs/dbraw/zinc/58/98/66/609589866.db2.gz GAUJRQHUTYWYKJ-UHFFFAOYSA-N -1 3 377.368 0.707 20 0 GCADHM Cc1cc(C(=O)Nc2nccn(C)c2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260824 609589868 /nfs/dbraw/zinc/58/98/68/609589868.db2.gz GAUJRQHUTYWYKJ-UHFFFAOYSA-N -1 3 377.368 0.707 20 0 GCADHM COC[C@@](C)(NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(=O)OC ZINC000826148421 609593199 /nfs/dbraw/zinc/59/31/99/609593199.db2.gz IGJVMMZZJCTSNA-GOSISDBHSA-N -1 3 399.411 0.669 20 0 GCADHM COC[C@@](C)(NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(=O)OC ZINC000826148421 609593201 /nfs/dbraw/zinc/59/32/01/609593201.db2.gz IGJVMMZZJCTSNA-GOSISDBHSA-N -1 3 399.411 0.669 20 0 GCADHM COC[C@](C)(NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(=O)OC ZINC000826148422 609593484 /nfs/dbraw/zinc/59/34/84/609593484.db2.gz IGJVMMZZJCTSNA-SFHVURJKSA-N -1 3 399.411 0.669 20 0 GCADHM COC[C@](C)(NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(=O)OC ZINC000826148422 609593486 /nfs/dbraw/zinc/59/34/86/609593486.db2.gz IGJVMMZZJCTSNA-SFHVURJKSA-N -1 3 399.411 0.669 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000826429446 609598782 /nfs/dbraw/zinc/59/87/82/609598782.db2.gz CPZZMDWLPPCDAX-OAHLLOKOSA-N -1 3 378.396 0.578 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826429446 609598785 /nfs/dbraw/zinc/59/87/85/609598785.db2.gz CPZZMDWLPPCDAX-OAHLLOKOSA-N -1 3 378.396 0.578 20 0 GCADHM COC[C@@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826148406 609601598 /nfs/dbraw/zinc/60/15/98/609601598.db2.gz HUKSIVKYCMXRDQ-WFASDCNBSA-N -1 3 387.444 0.944 20 0 GCADHM COC[C@@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826148406 609601600 /nfs/dbraw/zinc/60/16/00/609601600.db2.gz HUKSIVKYCMXRDQ-WFASDCNBSA-N -1 3 387.444 0.944 20 0 GCADHM CN(C)c1ncc(CN(C)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825992281 609605131 /nfs/dbraw/zinc/60/51/31/609605131.db2.gz SPUFFBVFGHWXTJ-UHFFFAOYSA-N -1 3 397.443 0.943 20 0 GCADHM O=C(NCc1cc[nH]n1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826440451 609606957 /nfs/dbraw/zinc/60/69/57/609606957.db2.gz NCQCIEANGCLJQW-AWEZNQCLSA-N -1 3 381.400 0.585 20 0 GCADHM CN1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826023247 609608502 /nfs/dbraw/zinc/60/85/02/609608502.db2.gz ZQNGNUJBNUMIHV-HIFRSBDPSA-N -1 3 397.439 0.347 20 0 GCADHM CN1CC[C@@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826023247 609608505 /nfs/dbraw/zinc/60/85/05/609608505.db2.gz ZQNGNUJBNUMIHV-HIFRSBDPSA-N -1 3 397.439 0.347 20 0 GCADHM Cn1cc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826360382 609609025 /nfs/dbraw/zinc/60/90/25/609609025.db2.gz IMUSBDVIOMXVRD-OAHLLOKOSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1cc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826360382 609609027 /nfs/dbraw/zinc/60/90/27/609609027.db2.gz IMUSBDVIOMXVRD-OAHLLOKOSA-N -1 3 380.412 0.455 20 0 GCADHM COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000826187311 609610248 /nfs/dbraw/zinc/61/02/48/609610248.db2.gz KROLIDCSSNXARC-CQSZACIVSA-N -1 3 394.395 0.591 20 0 GCADHM COc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1 ZINC000826187311 609610250 /nfs/dbraw/zinc/61/02/50/609610250.db2.gz KROLIDCSSNXARC-CQSZACIVSA-N -1 3 394.395 0.591 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826129689 609612239 /nfs/dbraw/zinc/61/22/39/609612239.db2.gz YIJDKIXEVABQRB-MCIONIFRSA-N -1 3 384.396 0.287 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826129689 609612240 /nfs/dbraw/zinc/61/22/40/609612240.db2.gz YIJDKIXEVABQRB-MCIONIFRSA-N -1 3 384.396 0.287 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[C@H]1CCCOC1 ZINC000824490919 609620239 /nfs/dbraw/zinc/62/02/39/609620239.db2.gz RBNIWFBXQUKLOM-ZFWWWQNUSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[C@H]1CCCOC1 ZINC000824490919 609620240 /nfs/dbraw/zinc/62/02/40/609620240.db2.gz RBNIWFBXQUKLOM-ZFWWWQNUSA-N -1 3 386.460 0.908 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@H](C(=O)OC)C1 ZINC000826134510 609624768 /nfs/dbraw/zinc/62/47/68/609624768.db2.gz XDJLUMOQTHVCAQ-WPRPVWTQSA-N -1 3 379.398 0.495 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@H](C(=O)OC)C1 ZINC000826134510 609624769 /nfs/dbraw/zinc/62/47/69/609624769.db2.gz XDJLUMOQTHVCAQ-WPRPVWTQSA-N -1 3 379.398 0.495 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)[C@H](C(=O)OC)C1 ZINC000826134181 609624789 /nfs/dbraw/zinc/62/47/89/609624789.db2.gz UETVVZCBECZRHT-JSGCOSHPSA-N -1 3 387.396 0.742 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)[C@H](C(=O)OC)C1 ZINC000826134181 609624790 /nfs/dbraw/zinc/62/47/90/609624790.db2.gz UETVVZCBECZRHT-JSGCOSHPSA-N -1 3 387.396 0.742 20 0 GCADHM O=C(COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)NCCc1ccc(F)cc1 ZINC000826415182 609629568 /nfs/dbraw/zinc/62/95/68/609629568.db2.gz VMRKSPPWNJKQND-QGZVFWFLSA-N -1 3 399.382 0.941 20 0 GCADHM O=C(COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)NCCc1ccc(F)cc1 ZINC000826415182 609629570 /nfs/dbraw/zinc/62/95/70/609629570.db2.gz VMRKSPPWNJKQND-QGZVFWFLSA-N -1 3 399.382 0.941 20 0 GCADHM CCCCNC(=O)NC(=O)COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825284991 609630016 /nfs/dbraw/zinc/63/00/16/609630016.db2.gz FXBREBMNWBCSIX-CYBMUJFWSA-N -1 3 376.373 0.069 20 0 GCADHM CCCCNC(=O)NC(=O)COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825284991 609630017 /nfs/dbraw/zinc/63/00/17/609630017.db2.gz FXBREBMNWBCSIX-CYBMUJFWSA-N -1 3 376.373 0.069 20 0 GCADHM O=C(OCc1cc(=O)n2ccccc2n1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464914 609636885 /nfs/dbraw/zinc/63/68/85/609636885.db2.gz RMSPVOKDDBDESP-INIZCTEOSA-N -1 3 378.348 0.651 20 0 GCADHM O=C(OCc1cc(=O)n2ccccc2n1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464914 609636886 /nfs/dbraw/zinc/63/68/86/609636886.db2.gz RMSPVOKDDBDESP-INIZCTEOSA-N -1 3 378.348 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CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3nccnc3C(N)=O)c2)[n-]1 ZINC000447685816 1196742460 /nfs/dbraw/zinc/74/24/60/1196742460.db2.gz BGABEHYUSMVDBH-UHFFFAOYSA-N -1 3 395.379 0.467 20 0 GCADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)c3nccnc3C(N)=O)c2)n[n-]1 ZINC000447685816 1196742461 /nfs/dbraw/zinc/74/24/61/1196742461.db2.gz BGABEHYUSMVDBH-UHFFFAOYSA-N -1 3 395.379 0.467 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H](O)Cc2ccccc21 ZINC000447714730 1196743640 /nfs/dbraw/zinc/74/36/40/1196743640.db2.gz OKDJELYGCIMUNY-FZMZJTMJSA-N -1 3 379.438 0.908 20 0 GCADHM Cn1[n-]c(CN[C@H]2CCCCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nc1=O ZINC001088348849 1196761472 /nfs/dbraw/zinc/76/14/72/1196761472.db2.gz DOHWTCATQIJJRN-QBYUYEEZSA-N -1 3 377.489 0.784 20 0 GCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000527255933 1196774939 /nfs/dbraw/zinc/77/49/39/1196774939.db2.gz SABZJKYBJPEUEL-UHFFFAOYSA-N -1 3 384.318 0.846 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N1CC2(C1)CN(C(=O)c1c([O-])cccc1O)C2 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FFPVYYILOOUKOD-CQSZACIVSA-N -1 3 388.461 0.973 20 0 GCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@]23NC(=O)NC3=O)c(F)c1 ZINC000530377387 1196983643 /nfs/dbraw/zinc/98/36/43/1196983643.db2.gz ABDWNLABUBAPNJ-MGPLVRAMSA-N -1 3 399.400 0.269 20 0 GCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C(=O)N(C)C)O2)c(F)c1 ZINC000530432986 1196988157 /nfs/dbraw/zinc/98/81/57/1196988157.db2.gz MVYOSVAOYLFQFH-DGCLKSJQSA-N -1 3 388.417 0.526 20 0 GCADHM COCc1nn(C)cc1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000451447533 1196993489 /nfs/dbraw/zinc/99/34/89/1196993489.db2.gz CGBDVRRJGUYFJH-UHFFFAOYSA-N -1 3 388.396 0.553 20 0 GCADHM COC[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCO1 ZINC000374242257 1196994250 /nfs/dbraw/zinc/99/42/50/1196994250.db2.gz VOMSQULAPKXLIR-LBPRGKRZSA-N -1 3 393.412 0.300 20 0 GCADHM CCNC(=O)COc1cccc(CNC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC000530986415 1197035107 /nfs/dbraw/zinc/03/51/07/1197035107.db2.gz GLTRSMOSFSPBOD-UHFFFAOYSA-N -1 3 385.420 0.953 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H]1CCCN(CCCO)C1 ZINC000452373115 1197056797 /nfs/dbraw/zinc/05/67/97/1197056797.db2.gz FWPRBYWDEWKWSR-LBPRGKRZSA-N -1 3 391.440 0.206 20 0 GCADHM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)o1 ZINC000452378437 1197058015 /nfs/dbraw/zinc/05/80/15/1197058015.db2.gz WPIDHYAYQMVCTC-CYBMUJFWSA-N -1 3 387.502 0.933 20 0 GCADHM COC[C@]1(C(=O)OC)CCN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000452574550 1197069566 /nfs/dbraw/zinc/06/95/66/1197069566.db2.gz VIPMONAZZXCVNJ-IBGZPJMESA-N -1 3 378.425 0.859 20 0 GCADHM COc1cc(-c2noc(CS(=O)(=O)c3nnc(C(C)(C)C)[n-]3)n2)ncn1 ZINC000453016788 1197093533 /nfs/dbraw/zinc/09/35/33/1197093533.db2.gz BNTQXJIWEFXYOY-UHFFFAOYSA-N -1 3 379.402 0.925 20 0 GCADHM CS(=O)(=O)Cc1ccccc1CNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000531798234 1197097803 /nfs/dbraw/zinc/09/78/03/1197097803.db2.gz MQDNCVUEUFAMEE-UHFFFAOYSA-N -1 3 376.434 0.983 20 0 GCADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccc(-n3ccnc3)nn2)CC1 ZINC000531868664 1197101714 /nfs/dbraw/zinc/10/17/14/1197101714.db2.gz ANQVWUPCDRHYLD-UHFFFAOYSA-N -1 3 378.392 0.966 20 0 GCADHM O=C(c1ccccc1[O-])N1CCN(C(=O)[C@@]23CCC(=O)N2CCS3)CC1 ZINC000532125134 1197115796 /nfs/dbraw/zinc/11/57/96/1197115796.db2.gz YLHMOYQSKOTQGK-SFHVURJKSA-N -1 3 375.450 0.742 20 0 GCADHM O=C(c1cnc[n-]c1=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C[C@@H]2C1 ZINC000986324864 1197165595 /nfs/dbraw/zinc/16/55/95/1197165595.db2.gz NTRAIYFZFYGUOC-XJFOESAGSA-N -1 3 382.424 0.630 20 0 GCADHM Cc1nc(-c2ccc(NC(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)cc2)cc(=O)[n-]1 ZINC000475745244 1197200554 /nfs/dbraw/zinc/20/05/54/1197200554.db2.gz DXSNJDZUMQUKEF-AWEZNQCLSA-N -1 3 396.407 0.332 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCc1c(C)nn(C)c1C ZINC000123634892 1197285357 /nfs/dbraw/zinc/28/53/57/1197285357.db2.gz RRTIXQDEHVWTGC-NSHDSACASA-N -1 3 383.474 0.667 20 0 GCADHM C[C@@H](NC(=O)c1sccc1S(N)(=O)=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614818589 1197290653 /nfs/dbraw/zinc/29/06/53/1197290653.db2.gz UDRUMXYDMAVLOP-DTWKUNHWSA-N -1 3 398.466 0.889 20 0 GCADHM C[C@@H](NC(=O)c1sccc1S(N)(=O)=O)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614818591 1197290920 /nfs/dbraw/zinc/29/09/20/1197290920.db2.gz UDRUMXYDMAVLOP-RKDXNWHRSA-N -1 3 398.466 0.889 20 0 GCADHM Cc1c(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])nnn1-c1cnn(C)c1 ZINC000614817931 1197291983 /nfs/dbraw/zinc/29/19/83/1197291983.db2.gz PQFMOJYFCKQQNI-MNOVXSKESA-N -1 3 398.427 0.803 20 0 GCADHM C[C@@H](NC(=O)CN(C)c1ncnc2nc[nH]c21)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824494 1197303147 /nfs/dbraw/zinc/30/31/47/1197303147.db2.gz VLYHJWHRPKQFNP-GHMZBOCLSA-N -1 3 398.427 0.669 20 0 GCADHM CCCCS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825068 1197305948 /nfs/dbraw/zinc/30/59/48/1197305948.db2.gz HDIABOXZMWSAHU-RYUDHWBXSA-N -1 3 386.474 0.586 20 0 GCADHM C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)s1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824928 1197306451 /nfs/dbraw/zinc/30/64/51/1197306451.db2.gz XDOCUBUQGJTNIP-RKDXNWHRSA-N -1 3 398.466 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ZINC001183804063 1205900946 /nfs/dbraw/zinc/90/09/46/1205900946.db2.gz DXQOABWZKADQRA-JTQLQIEISA-N -1 3 396.448 0.740 20 0 GCADHM CN(CC(=O)Nc1c(N)[nH]c(=O)[n-]c1=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183804064 1205901008 /nfs/dbraw/zinc/90/10/08/1205901008.db2.gz DXQOABWZKADQRA-SNVBAGLBSA-N -1 3 396.448 0.740 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCCOC1CCSCC1 ZINC001184427573 1205910558 /nfs/dbraw/zinc/91/05/58/1205910558.db2.gz ZDPZIMOLYOEIIC-UHFFFAOYSA-N -1 3 377.488 0.598 20 0 GCADHM Cn1cc(N2C[C@@]3(CCN(C(=O)c4[n-]c(=O)ccc4Cl)C3)CC2=O)cn1 ZINC001184804624 1205913519 /nfs/dbraw/zinc/91/35/19/1205913519.db2.gz CQQBKXIJRMIFLM-KRWDZBQOSA-N -1 3 375.816 0.870 20 0 GCADHM CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)c3[n-]c(=O)ccc3Cl)C[C@H]2C1 ZINC001184805074 1205913529 /nfs/dbraw/zinc/91/35/29/1205913529.db2.gz JXBNQINMSBETFD-MNOVXSKESA-N -1 3 388.877 0.067 20 0 GCADHM CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2[n-]c(=O)ccc2Cl)O1 ZINC001184803417 1205913588 /nfs/dbraw/zinc/91/35/88/1205913588.db2.gz SFJGRBNUDBFXPE-MRVWCRGKSA-N -1 3 397.859 0.734 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](O)[C@@H]([N-]S(=O)(=O)c2cnc(Cl)nc2)C1 ZINC001185057539 1205916023 /nfs/dbraw/zinc/91/60/23/1205916023.db2.gz IZIUAUGYYSFIKZ-UWVGGRQHSA-N -1 3 378.838 0.389 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](CO)[C@H]([N-]S(=O)(=O)c2cnc(Cl)nc2)C1 ZINC001185070144 1205916699 /nfs/dbraw/zinc/91/66/99/1205916699.db2.gz VRKKGSHQQPCWAI-MWLCHTKSSA-N -1 3 392.865 0.636 20 0 GCADHM O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185557239 1205923902 /nfs/dbraw/zinc/92/39/02/1205923902.db2.gz SRKBBUOUWZSOKA-UHFFFAOYSA-N -1 3 388.409 0.606 20 0 GCADHM O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185557239 1205923903 /nfs/dbraw/zinc/92/39/03/1205923903.db2.gz SRKBBUOUWZSOKA-UHFFFAOYSA-N -1 3 388.409 0.606 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC(N2CCC(F)(F)CC2)C1 ZINC001185589464 1205924771 /nfs/dbraw/zinc/92/47/71/1205924771.db2.gz YQQDZQQVNHFVPF-UHFFFAOYSA-N -1 3 384.412 0.971 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CC(N2CCC(F)(F)CC2)C1 ZINC001185589464 1205924772 /nfs/dbraw/zinc/92/47/72/1205924772.db2.gz YQQDZQQVNHFVPF-UHFFFAOYSA-N -1 3 384.412 0.971 20 0 GCADHM CSc1[n-]nc(NC(=O)c2cccc(N3CCCNC(=O)C3)n2)c1C(N)=O ZINC001185590615 1205925207 /nfs/dbraw/zinc/92/52/07/1205925207.db2.gz QCBDDLFSHWDISD-UHFFFAOYSA-N -1 3 389.441 0.204 20 0 GCADHM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1 ZINC001185591482 1205925213 /nfs/dbraw/zinc/92/52/13/1205925213.db2.gz BCCMKPMFHMHTDD-LBPRGKRZSA-N -1 3 383.455 0.536 20 0 GCADHM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1 ZINC001185591482 1205925214 /nfs/dbraw/zinc/92/52/14/1205925214.db2.gz BCCMKPMFHMHTDD-LBPRGKRZSA-N -1 3 383.455 0.536 20 0 GCADHM Cc1cnc(O[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)nc1 ZINC001185593838 1205925271 /nfs/dbraw/zinc/92/52/71/1205925271.db2.gz XLBATVVPFLAWQW-CYBMUJFWSA-N -1 3 387.425 0.807 20 0 GCADHM Cc1cnc(O[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)nc1 ZINC001185593838 1205925273 /nfs/dbraw/zinc/92/52/73/1205925273.db2.gz XLBATVVPFLAWQW-CYBMUJFWSA-N -1 3 387.425 0.807 20 0 GCADHM CCN(C(C)=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185592975 1205925350 /nfs/dbraw/zinc/92/53/50/1205925350.db2.gz OJIFQXNUYKREJG-UHFFFAOYSA-N -1 3 378.458 0.888 20 0 GCADHM CCN(C(C)=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185592975 1205925351 /nfs/dbraw/zinc/92/53/51/1205925351.db2.gz OJIFQXNUYKREJG-UHFFFAOYSA-N -1 3 378.458 0.888 20 0 GCADHM CN1C(=O)CCC12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001185593344 1205925407 /nfs/dbraw/zinc/92/54/07/1205925407.db2.gz RJLWUYKCVNCBFL-UHFFFAOYSA-N -1 3 376.442 0.642 20 0 GCADHM CN1C(=O)CCC12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185593344 1205925408 /nfs/dbraw/zinc/92/54/08/1205925408.db2.gz RJLWUYKCVNCBFL-UHFFFAOYSA-N -1 3 376.442 0.642 20 0 GCADHM CCOc1ccc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185613042 1205925681 /nfs/dbraw/zinc/92/56/81/1205925681.db2.gz GSQYNEMLFQXTTO-CQSZACIVSA-N -1 3 390.425 0.672 20 0 GCADHM CCOc1ccc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185613042 1205925682 /nfs/dbraw/zinc/92/56/82/1205925682.db2.gz GSQYNEMLFQXTTO-CQSZACIVSA-N -1 3 390.425 0.672 20 0 GCADHM O=S(=O)(NC[C@@H](O)COCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185613716 1205925773 /nfs/dbraw/zinc/92/57/73/1205925773.db2.gz MRIPFHXKAAGNNY-OAHLLOKOSA-N -1 3 389.437 0.723 20 0 GCADHM O=S(=O)(NC[C@@H](O)COCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185613716 1205925775 /nfs/dbraw/zinc/92/57/75/1205925775.db2.gz MRIPFHXKAAGNNY-OAHLLOKOSA-N -1 3 389.437 0.723 20 0 GCADHM O=C1CCC[C@]2(CCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)N1 ZINC001185578773 1205925875 /nfs/dbraw/zinc/92/58/75/1205925875.db2.gz NQLRPMNLDDATSH-MRXNPFEDSA-N -1 3 376.442 0.690 20 0 GCADHM O=C1CCC[C@]2(CCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)N1 ZINC001185578773 1205925876 /nfs/dbraw/zinc/92/58/76/1205925876.db2.gz NQLRPMNLDDATSH-MRXNPFEDSA-N -1 3 376.442 0.690 20 0 GCADHM CS(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185627673 1205925887 /nfs/dbraw/zinc/92/58/87/1205925887.db2.gz DDXVKOQVLHRSIT-UHFFFAOYSA-N -1 3 393.450 0.749 20 0 GCADHM CS(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185627673 1205925888 /nfs/dbraw/zinc/92/58/88/1205925888.db2.gz DDXVKOQVLHRSIT-UHFFFAOYSA-N -1 3 393.450 0.749 20 0 GCADHM O=S(=O)(NCc1ccc(-n2cccn2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628562 1205925905 /nfs/dbraw/zinc/92/59/05/1205925905.db2.gz TWYFUYRUCHEABT-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM O=S(=O)(NCc1ccc(-n2cccn2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628562 1205925906 /nfs/dbraw/zinc/92/59/06/1205925906.db2.gz TWYFUYRUCHEABT-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM O=S(=O)(N[C@H](CO)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628502 1205925993 /nfs/dbraw/zinc/92/59/93/1205925993.db2.gz QMFWHPBPPZERBJ-AWEZNQCLSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(N[C@H](CO)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628502 1205925994 /nfs/dbraw/zinc/92/59/94/1205925994.db2.gz QMFWHPBPPZERBJ-AWEZNQCLSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(N[C@H]1CCC[C@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628522 1205926097 /nfs/dbraw/zinc/92/60/97/1205926097.db2.gz RIRGXLUHSQGDPO-LSDHHAIUSA-N -1 3 378.458 0.398 20 0 GCADHM O=S(=O)(N[C@H]1CCC[C@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628522 1205926098 /nfs/dbraw/zinc/92/60/98/1205926098.db2.gz RIRGXLUHSQGDPO-LSDHHAIUSA-N -1 3 378.458 0.398 20 0 GCADHM CC(C)Oc1nccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185631799 1205926286 /nfs/dbraw/zinc/92/62/86/1205926286.db2.gz ODHRWYGOEZQFBP-UHFFFAOYSA-N -1 3 375.414 0.922 20 0 GCADHM CC(C)Oc1nccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185631799 1205926288 /nfs/dbraw/zinc/92/62/88/1205926288.db2.gz ODHRWYGOEZQFBP-UHFFFAOYSA-N -1 3 375.414 0.922 20 0 GCADHM O=S(=O)(NCc1ccnc(OCC2CC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185638870 1205926298 /nfs/dbraw/zinc/92/62/98/1205926298.db2.gz YJHOZIRZVWFYHE-UHFFFAOYSA-N -1 3 387.425 0.924 20 0 GCADHM O=S(=O)(NCc1ccnc(OCC2CC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185638870 1205926299 /nfs/dbraw/zinc/92/62/99/1205926299.db2.gz YJHOZIRZVWFYHE-UHFFFAOYSA-N -1 3 387.425 0.924 20 0 GCADHM CC(C)Oc1ccnc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185642803 1205926512 /nfs/dbraw/zinc/92/65/12/1205926512.db2.gz WAMONFMKKWDCGV-UHFFFAOYSA-N -1 3 375.414 0.922 20 0 GCADHM CC(C)Oc1ccnc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185642803 1205926513 /nfs/dbraw/zinc/92/65/13/1205926513.db2.gz WAMONFMKKWDCGV-UHFFFAOYSA-N -1 3 375.414 0.922 20 0 GCADHM CCOC(=O)C1=C(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C)OC1 ZINC001185620457 1205926901 /nfs/dbraw/zinc/92/69/01/1205926901.db2.gz GGAFTPJLAJHSDL-SECBINFHSA-N -1 3 379.398 0.381 20 0 GCADHM CCOC(=O)C1=C(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)OC1 ZINC001185620457 1205926903 /nfs/dbraw/zinc/92/69/03/1205926903.db2.gz GGAFTPJLAJHSDL-SECBINFHSA-N -1 3 379.398 0.381 20 0 GCADHM O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC001185623432 1205927074 /nfs/dbraw/zinc/92/70/74/1205927074.db2.gz HYZPWVXEZUQROD-UHFFFAOYSA-N -1 3 389.393 0.953 20 0 GCADHM O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC001185623432 1205927075 /nfs/dbraw/zinc/92/70/75/1205927075.db2.gz HYZPWVXEZUQROD-UHFFFAOYSA-N -1 3 389.393 0.953 20 0 GCADHM CCOC(=O)c1ccnc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001185622075 1205927088 /nfs/dbraw/zinc/92/70/88/1205927088.db2.gz IJFGFOIDTNRNOO-UHFFFAOYSA-N -1 3 388.409 0.917 20 0 GCADHM CCOC(=O)c1ccnc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001185622075 1205927089 /nfs/dbraw/zinc/92/70/89/1205927089.db2.gz IJFGFOIDTNRNOO-UHFFFAOYSA-N -1 3 388.409 0.917 20 0 GCADHM COc1ccc(C[C@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001185623148 1205927104 /nfs/dbraw/zinc/92/71/04/1205927104.db2.gz BBYPKOBMJWCGPN-CQSZACIVSA-N -1 3 389.437 0.757 20 0 GCADHM COc1ccc(C[C@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001185623148 1205927105 /nfs/dbraw/zinc/92/71/05/1205927105.db2.gz BBYPKOBMJWCGPN-CQSZACIVSA-N -1 3 389.437 0.757 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccco1 ZINC001185623031 1205927141 /nfs/dbraw/zinc/92/71/41/1205927141.db2.gz WEPLJCFFPVMOGE-UHFFFAOYSA-N -1 3 376.398 0.445 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccco1 ZINC001185623031 1205927143 /nfs/dbraw/zinc/92/71/43/1205927143.db2.gz WEPLJCFFPVMOGE-UHFFFAOYSA-N -1 3 376.398 0.445 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1 ZINC001185624368 1205927268 /nfs/dbraw/zinc/92/72/68/1205927268.db2.gz SFOMGRDFQOVIFD-UHFFFAOYSA-N -1 3 387.425 0.967 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1 ZINC001185624368 1205927270 /nfs/dbraw/zinc/92/72/70/1205927270.db2.gz SFOMGRDFQOVIFD-UHFFFAOYSA-N -1 3 387.425 0.967 20 0 GCADHM O=S(=O)(N[C@@H](CO)COCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185624813 1205927335 /nfs/dbraw/zinc/92/73/35/1205927335.db2.gz YTMGVSCSYLLSQV-HNNXBMFYSA-N -1 3 389.437 0.723 20 0 GCADHM O=S(=O)(N[C@@H](CO)COCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185624813 1205927336 /nfs/dbraw/zinc/92/73/36/1205927336.db2.gz YTMGVSCSYLLSQV-HNNXBMFYSA-N -1 3 389.437 0.723 20 0 GCADHM CN(CC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664710 1205927733 /nfs/dbraw/zinc/92/77/33/1205927733.db2.gz YQWWBDBEFWCXRS-AWEZNQCLSA-N -1 3 383.389 0.489 20 0 GCADHM COCCO[C@H]1C[C@@H](CO)CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000774977783 1205935589 /nfs/dbraw/zinc/93/55/89/1205935589.db2.gz XCUDFGFWMOJBEQ-ZJUUUORDSA-N -1 3 381.355 0.379 20 0 GCADHM C[C@]1([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCC(=O)NC1=O ZINC001186356276 1205938576 /nfs/dbraw/zinc/93/85/76/1205938576.db2.gz GFANJTAVRKVALO-NSHDSACASA-N -1 3 396.650 0.971 20 0 GCADHM CCOC(=O)C1([N-]S(=O)(=O)[C@H]2C[C@@H](C(=O)OC)C2)Cc2ccccc2C1 ZINC001186341382 1205939071 /nfs/dbraw/zinc/93/90/71/1205939071.db2.gz ZSVNVIBRVMVERZ-GASCZTMLSA-N -1 3 381.450 0.958 20 0 GCADHM Cc1cc(NC(=O)C[N-]S(=O)(=O)[C@@H]2COC[C@H]2O)ccc1Br ZINC001186439020 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DQLKHTYAINJMMD-UHFFFAOYSA-N -1 3 376.174 0.975 20 0 GCADHM COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)c1ccccc1-c1nnn[n-]1 ZINC001186999846 1205954333 /nfs/dbraw/zinc/95/43/33/1205954333.db2.gz RAQNXJRIGIUUTJ-GWCFXTLKSA-N -1 3 377.382 0.096 20 0 GCADHM COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)c1ccccc1-c1nn[n-]n1 ZINC001186999846 1205954334 /nfs/dbraw/zinc/95/43/34/1205954334.db2.gz RAQNXJRIGIUUTJ-GWCFXTLKSA-N -1 3 377.382 0.096 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@H](O)COc1ccc(F)cc1 ZINC001187325001 1205959650 /nfs/dbraw/zinc/95/96/50/1205959650.db2.gz GCIJZMMKRKWKJA-LLVKDONJSA-N -1 3 387.389 0.362 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnoc2C)CN1C(=O)OC(C)(C)C ZINC001187390995 1205962531 /nfs/dbraw/zinc/96/25/31/1205962531.db2.gz LFZDYSPPGWNWQK-MNOVXSKESA-N -1 3 389.430 0.812 20 0 GCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H]2CC[C@H](C3CC3)O2)C(=O)N1c1cnn(C)c1 ZINC001187573984 1205966113 /nfs/dbraw/zinc/96/61/13/1205966113.db2.gz VABGDKPNIODHKS-BQDHKBFISA-N -1 3 382.486 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ZINC001189347593 1206002421 /nfs/dbraw/zinc/00/24/21/1206002421.db2.gz CIEUPUUPWZTMRM-UHFFFAOYSA-N -1 3 379.789 0.866 20 0 GCADHM Nc1ccc(S(=O)(=O)N(C(=O)c2c[n-]nn2)c2ccc(Cl)nn2)cc1 ZINC001189347593 1206002424 /nfs/dbraw/zinc/00/24/24/1206002424.db2.gz CIEUPUUPWZTMRM-UHFFFAOYSA-N -1 3 379.789 0.866 20 0 GCADHM CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)Cc1ccc(F)c(F)c1)C(N)=O ZINC001189345696 1206002790 /nfs/dbraw/zinc/00/27/90/1206002790.db2.gz LQLVBRQDEDRZSS-LBPRGKRZSA-N -1 3 378.397 0.970 20 0 GCADHM C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)NCC(N)=O ZINC001189773905 1206015882 /nfs/dbraw/zinc/01/58/82/1206015882.db2.gz PTGDKIUWOYOXGF-LURJTMIESA-N -1 3 398.666 0.371 20 0 GCADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(OC)n1)[C@@H](O)C(=O)NC1CC1 ZINC001190120512 1206027724 /nfs/dbraw/zinc/02/77/24/1206027724.db2.gz MUXRFPOEZDXWEO-WCQYABFASA-N -1 3 375.422 0.316 20 0 GCADHM COc1cc([O-])c(C(=O)N2CCC[C@@H]3CN(S(C)(=O)=O)C[C@@H]32)c(OC)c1 ZINC001190122478 1206027792 /nfs/dbraw/zinc/02/77/92/1206027792.db2.gz SLNZBKIVALMXAF-YPMHNXCESA-N -1 3 384.454 0.905 20 0 GCADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(OC)n1)C1CCOCC1 ZINC001190120809 1206027891 /nfs/dbraw/zinc/02/78/91/1206027891.db2.gz NPKUAYHSAYQHQO-ZDUSSCGKSA-N -1 3 376.406 0.866 20 0 GCADHM O=C(C(=O)N1CCN(Cc2nnc(-c3ccccc3[O-])o2)CC1)N1CCCC1 ZINC001190356067 1206033197 /nfs/dbraw/zinc/03/31/97/1206033197.db2.gz JSBKELIBJPLSOZ-UHFFFAOYSA-N -1 3 385.424 0.709 20 0 GCADHM COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)C(N)=O ZINC001190602589 1206040222 /nfs/dbraw/zinc/04/02/22/1206040222.db2.gz SBLGBXSTQONDDF-JTQLQIEISA-N -1 3 392.817 0.212 20 0 GCADHM CN(C)C(=O)COCc1nnc2n1CCN(C(=O)c1ccc(=O)[n-]c1Cl)C2 ZINC001190907847 1206050853 /nfs/dbraw/zinc/05/08/53/1206050853.db2.gz HXOOCANPMCSMSG-UHFFFAOYSA-N -1 3 394.819 0.293 20 0 GCADHM Cc1nc(NC(=O)COC[C@@H]2CCCO2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480366 945077506 /nfs/dbraw/zinc/07/75/06/945077506.db2.gz OBVQOKBQLZMFHP-AWEZNQCLSA-N -1 3 384.400 0.312 20 0 GCADHM Cn1c(=O)[nH]cc(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)c1=O ZINC000833037545 939221608 /nfs/dbraw/zinc/22/16/08/939221608.db2.gz DWONVGSEFFNUTJ-IBGZPJMESA-N -1 3 386.408 0.335 20 0 GCADHM O=C([O-])[C@]1(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCOC1 ZINC000908822046 939329564 /nfs/dbraw/zinc/32/95/64/939329564.db2.gz UCFACSOMGVZXHM-FQEVSTJZSA-N -1 3 390.484 0.737 20 0 GCADHM CN1CCN(CCCNC(=O)N[C@]2(C(=O)[O-])CCOC2)[C@H](c2ccccc2)C1 ZINC000908821763 939329731 /nfs/dbraw/zinc/32/97/31/939329731.db2.gz QCXCFJJRBWBFMW-FXAWDEMLSA-N -1 3 390.484 0.908 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N(CCO)CCc1ccccc1 ZINC000738152097 945251231 /nfs/dbraw/zinc/25/12/31/945251231.db2.gz NKEBXLNDGVVXHK-UHFFFAOYSA-N -1 3 380.408 0.869 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCO)CCc1ccccc1 ZINC000738152097 945251236 /nfs/dbraw/zinc/25/12/36/945251236.db2.gz NKEBXLNDGVVXHK-UHFFFAOYSA-N -1 3 380.408 0.869 20 0 GCADHM CC(=O)NCC1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819805103 945293281 /nfs/dbraw/zinc/29/32/81/945293281.db2.gz ZBITZTNHHKOHBT-UHFFFAOYSA-N -1 3 392.485 0.489 20 0 GCADHM CC(=O)NCC1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819805103 945293285 /nfs/dbraw/zinc/29/32/85/945293285.db2.gz ZBITZTNHHKOHBT-UHFFFAOYSA-N -1 3 392.485 0.489 20 0 GCADHM CC(=O)NC[C@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000819802458 945293722 /nfs/dbraw/zinc/29/37/22/945293722.db2.gz BYWOROCDQXGMRW-CQSZACIVSA-N -1 3 392.485 0.489 20 0 GCADHM CC(=O)NC[C@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000819802458 945293729 /nfs/dbraw/zinc/29/37/29/945293729.db2.gz BYWOROCDQXGMRW-CQSZACIVSA-N -1 3 392.485 0.489 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(CC[S@@](C)=O)CC1 ZINC000819876669 945304626 /nfs/dbraw/zinc/30/46/26/945304626.db2.gz IRXFPBMRZHGOSI-JGTBNHKDSA-N -1 3 391.501 0.190 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(CC[S@@](C)=O)CC1 ZINC000819876669 945304636 /nfs/dbraw/zinc/30/46/36/945304636.db2.gz IRXFPBMRZHGOSI-JGTBNHKDSA-N -1 3 391.501 0.190 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001571257598 945341554 /nfs/dbraw/zinc/34/15/54/945341554.db2.gz HCZFXQBHBPEJHN-XPTSAGLGSA-N -1 3 385.407 0.934 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001571257598 945341567 /nfs/dbraw/zinc/34/15/67/945341567.db2.gz HCZFXQBHBPEJHN-XPTSAGLGSA-N -1 3 385.407 0.934 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571257722 945341610 /nfs/dbraw/zinc/34/16/10/945341610.db2.gz HWVMRDVUFNGNSX-LBPRGKRZSA-N -1 3 385.407 0.622 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571257722 945341620 /nfs/dbraw/zinc/34/16/20/945341620.db2.gz HWVMRDVUFNGNSX-LBPRGKRZSA-N -1 3 385.407 0.622 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571257745 945343180 /nfs/dbraw/zinc/34/31/80/945343180.db2.gz ISPIVBCSEIVNCH-FJJYHAOUSA-N -1 3 385.428 0.150 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571257745 945343190 /nfs/dbraw/zinc/34/31/90/945343190.db2.gz ISPIVBCSEIVNCH-FJJYHAOUSA-N -1 3 385.428 0.150 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571258026 945345103 /nfs/dbraw/zinc/34/51/03/945345103.db2.gz LEEJDKXGIOSRIY-HJPYRHJCSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571258026 945345114 /nfs/dbraw/zinc/34/51/14/945345114.db2.gz LEEJDKXGIOSRIY-HJPYRHJCSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571257961 945345239 /nfs/dbraw/zinc/34/52/39/945345239.db2.gz KKOIITSJYQFQGY-OHJULZJPSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571257961 945345251 /nfs/dbraw/zinc/34/52/51/945345251.db2.gz KKOIITSJYQFQGY-OHJULZJPSA-N -1 3 385.428 0.197 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CC[C@H]1NC(=O)C1=COCCO1 ZINC001571257810 945345469 /nfs/dbraw/zinc/34/54/69/945345469.db2.gz JUPOZNBTMMFDQL-OAHLLOKOSA-N -1 3 385.428 0.871 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CC[C@H]1NC(=O)C1=COCCO1 ZINC001571257810 945345476 /nfs/dbraw/zinc/34/54/76/945345476.db2.gz JUPOZNBTMMFDQL-OAHLLOKOSA-N -1 3 385.428 0.871 20 0 GCADHM CCn1ncc(C(=O)N(C)[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)n1 ZINC001571258001 945345682 /nfs/dbraw/zinc/34/56/82/945345682.db2.gz KXCXEMOFUUOTNW-NSHDSACASA-N -1 3 385.407 0.968 20 0 GCADHM CCn1ncc(C(=O)N(C)[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)n1 ZINC001571258001 945345693 /nfs/dbraw/zinc/34/56/93/945345693.db2.gz KXCXEMOFUUOTNW-NSHDSACASA-N -1 3 385.407 0.968 20 0 GCADHM CCn1ccc(CC(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571258102 945348001 /nfs/dbraw/zinc/34/80/01/945348001.db2.gz MWAVVIBGPSKYQH-CYBMUJFWSA-N -1 3 385.407 0.555 20 0 GCADHM CCn1ccc(CC(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571258102 945348013 /nfs/dbraw/zinc/34/80/13/945348013.db2.gz MWAVVIBGPSKYQH-CYBMUJFWSA-N -1 3 385.407 0.555 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1nnc2c(cnn2C)c1=O ZINC000820092746 945349638 /nfs/dbraw/zinc/34/96/38/945349638.db2.gz OSLRFYHNSBMSOQ-UHFFFAOYSA-N -1 3 394.443 0.821 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1nnc2c(cnn2C)c1=O ZINC000820092746 945349650 /nfs/dbraw/zinc/34/96/50/945349650.db2.gz OSLRFYHNSBMSOQ-UHFFFAOYSA-N -1 3 394.443 0.821 20 0 GCADHM CCc1ncnc(N2CC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1F ZINC001571258195 945349977 /nfs/dbraw/zinc/34/99/77/945349977.db2.gz NOHHQJDYMUXFQF-SNVBAGLBSA-N -1 3 385.407 0.943 20 0 GCADHM CCc1ncnc(N2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1F ZINC001571258195 945349987 /nfs/dbraw/zinc/34/99/87/945349987.db2.gz NOHHQJDYMUXFQF-SNVBAGLBSA-N -1 3 385.407 0.943 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(C(=O)c3cnn(CCF)c3)CC2)n1 ZINC001571258218 945350559 /nfs/dbraw/zinc/35/05/59/945350559.db2.gz NTVNCVCSSUVDAC-UHFFFAOYSA-N -1 3 385.407 0.699 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(C(=O)c3cnn(CCF)c3)CC2)n1 ZINC001571258218 945350570 /nfs/dbraw/zinc/35/05/70/945350570.db2.gz NTVNCVCSSUVDAC-UHFFFAOYSA-N -1 3 385.407 0.699 20 0 GCADHM Cc1cc(C)n(CC(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571258177 945351127 /nfs/dbraw/zinc/35/11/27/945351127.db2.gz NLPXFTGIDHLQHH-CYBMUJFWSA-N -1 3 385.407 0.927 20 0 GCADHM Cc1cc(C)n(CC(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571258177 945351141 /nfs/dbraw/zinc/35/11/41/945351141.db2.gz NLPXFTGIDHLQHH-CYBMUJFWSA-N -1 3 385.407 0.927 20 0 GCADHM O=C(Cn1cncn1)N1CCCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001571258448 945352678 /nfs/dbraw/zinc/35/26/78/945352678.db2.gz RKEDSAFWJQFDNN-UHFFFAOYSA-N -1 3 385.407 0.332 20 0 GCADHM CCO[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001571258424 945354005 /nfs/dbraw/zinc/35/40/05/945354005.db2.gz QLWKVUIIZHIIAW-GXTWGEPZSA-N -1 3 385.428 0.294 20 0 GCADHM CCO[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571258424 945354017 /nfs/dbraw/zinc/35/40/17/945354017.db2.gz QLWKVUIIZHIIAW-GXTWGEPZSA-N -1 3 385.428 0.294 20 0 GCADHM CC1=C(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001571258506 945354751 /nfs/dbraw/zinc/35/47/51/945354751.db2.gz UIRBJWCETIQUOS-LBPRGKRZSA-N -1 3 385.428 0.858 20 0 GCADHM CC1=C(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001571258506 945354759 /nfs/dbraw/zinc/35/47/59/945354759.db2.gz UIRBJWCETIQUOS-LBPRGKRZSA-N -1 3 385.428 0.858 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC001571258700 945361227 /nfs/dbraw/zinc/36/12/27/945361227.db2.gz ZNYXHWQBJULAEU-LLVKDONJSA-N -1 3 385.407 0.923 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC001571258700 945361238 /nfs/dbraw/zinc/36/12/38/945361238.db2.gz ZNYXHWQBJULAEU-LLVKDONJSA-N -1 3 385.407 0.923 20 0 GCADHM O=C(c1cnns1)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571258656 945361548 /nfs/dbraw/zinc/36/15/48/945361548.db2.gz YMVXCYBRUPCAPR-LDYMZIIASA-N -1 3 385.413 0.033 20 0 GCADHM O=C(c1cnns1)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571258656 945361561 /nfs/dbraw/zinc/36/15/61/945361561.db2.gz YMVXCYBRUPCAPR-LDYMZIIASA-N -1 3 385.413 0.033 20 0 GCADHM Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2COCCO2)ccc1-c1nnn[n-]1 ZINC001571258769 945363696 /nfs/dbraw/zinc/36/36/96/945363696.db2.gz BCPFJHYIJBLUDF-VNHYZAJKSA-N -1 3 385.428 0.165 20 0 GCADHM Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2COCCO2)ccc1-c1nn[n-]n1 ZINC001571258769 945363706 /nfs/dbraw/zinc/36/37/06/945363706.db2.gz BCPFJHYIJBLUDF-VNHYZAJKSA-N -1 3 385.428 0.165 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)C[C@@H]3COC(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571258752 945365145 /nfs/dbraw/zinc/36/51/45/945365145.db2.gz APVPILNVAYIROG-QWHCGFSZSA-N -1 3 385.428 0.608 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)C[C@@H]3COC(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571258752 945365156 /nfs/dbraw/zinc/36/51/56/945365156.db2.gz APVPILNVAYIROG-QWHCGFSZSA-N -1 3 385.428 0.608 20 0 GCADHM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001571258858 945366488 /nfs/dbraw/zinc/36/64/88/945366488.db2.gz DFYJIXIJXCKZFO-IUODEOHRSA-N -1 3 385.428 0.834 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571258810 945366548 /nfs/dbraw/zinc/36/65/48/945366548.db2.gz BWDNLUBMOFNBAX-IMIFBBOLSA-N -1 3 385.428 0.686 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571258810 945366564 /nfs/dbraw/zinc/36/65/64/945366564.db2.gz BWDNLUBMOFNBAX-IMIFBBOLSA-N -1 3 385.428 0.686 20 0 GCADHM CCCc1nc(CNC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571258832 945366897 /nfs/dbraw/zinc/36/68/97/945366897.db2.gz CLOAAICGSGWPGQ-NSHDSACASA-N -1 3 385.432 0.782 20 0 GCADHM CC(=O)NC[C@@H]1CCn2ncc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2C1 ZINC000277386385 944628358 /nfs/dbraw/zinc/62/83/58/944628358.db2.gz JDCDLWWLPVMEBA-CQSZACIVSA-N -1 3 394.439 0.692 20 0 GCADHM CC(=O)NC[C@@H]1CCn2ncc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2C1 ZINC000277386385 944628364 /nfs/dbraw/zinc/62/83/64/944628364.db2.gz JDCDLWWLPVMEBA-CQSZACIVSA-N -1 3 394.439 0.692 20 0 GCADHM C[C@]1(CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC000736216769 944766863 /nfs/dbraw/zinc/76/68/63/944766863.db2.gz LKCSSNRJSZUWEP-MRXNPFEDSA-N -1 3 379.442 0.324 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736655314 944863545 /nfs/dbraw/zinc/86/35/45/944863545.db2.gz BICNIYLQSWMGHR-NWDGAFQWSA-N -1 3 381.458 0.916 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736655314 944863550 /nfs/dbraw/zinc/86/35/50/944863550.db2.gz BICNIYLQSWMGHR-NWDGAFQWSA-N -1 3 381.458 0.916 20 0 GCADHM CN(CCN1CCCC1=O)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736799729 944893597 /nfs/dbraw/zinc/89/35/97/944893597.db2.gz XAFNKVJOOBBJMV-UHFFFAOYSA-N -1 3 395.427 0.329 20 0 GCADHM CN(CCN1CCCC1=O)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736799729 944893600 /nfs/dbraw/zinc/89/36/00/944893600.db2.gz XAFNKVJOOBBJMV-UHFFFAOYSA-N -1 3 395.427 0.329 20 0 GCADHM CN(CCO)S(=O)(=O)c1ccccc1CNc1ccc(-c2nnn[n-]2)cn1 ZINC000736800912 944894135 /nfs/dbraw/zinc/89/41/35/944894135.db2.gz FJJTVJSABZBGBR-UHFFFAOYSA-N -1 3 389.441 0.487 20 0 GCADHM CN(CCO)S(=O)(=O)c1ccccc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC000736800912 944894146 /nfs/dbraw/zinc/89/41/46/944894146.db2.gz FJJTVJSABZBGBR-UHFFFAOYSA-N -1 3 389.441 0.487 20 0 GCADHM COC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736932045 944912011 /nfs/dbraw/zinc/91/20/11/944912011.db2.gz YVZDFUHTEZSLAF-UHFFFAOYSA-N -1 3 395.379 0.346 20 0 GCADHM COC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736932045 944912020 /nfs/dbraw/zinc/91/20/20/944912020.db2.gz YVZDFUHTEZSLAF-UHFFFAOYSA-N -1 3 395.379 0.346 20 0 GCADHM COCCN(C(=O)Cn1nc2ccccn2c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988280 944928496 /nfs/dbraw/zinc/92/84/96/944928496.db2.gz JWUFBJRTCSCYHR-UHFFFAOYSA-N -1 3 394.395 0.356 20 0 GCADHM COCCN(C(=O)Cn1nc2ccccn2c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988280 944928506 /nfs/dbraw/zinc/92/85/06/944928506.db2.gz JWUFBJRTCSCYHR-UHFFFAOYSA-N -1 3 394.395 0.356 20 0 GCADHM CS(=O)(=O)N1CCC[C@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737168035 944975223 /nfs/dbraw/zinc/97/52/23/944975223.db2.gz XWGRMHKPAPWGMO-LBPRGKRZSA-N -1 3 396.498 0.499 20 0 GCADHM CS(=O)(=O)N1CCC[C@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737168035 944975228 /nfs/dbraw/zinc/97/52/28/944975228.db2.gz XWGRMHKPAPWGMO-LBPRGKRZSA-N -1 3 396.498 0.499 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571258956 945371928 /nfs/dbraw/zinc/37/19/28/945371928.db2.gz FQRHSRJHUUHGFC-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571258956 945371939 /nfs/dbraw/zinc/37/19/39/945371939.db2.gz FQRHSRJHUUHGFC-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571259028 945373733 /nfs/dbraw/zinc/37/37/33/945373733.db2.gz BZDLODGLPJOKDC-PWSUYJOCSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571259028 945373744 /nfs/dbraw/zinc/37/37/44/945373744.db2.gz BZDLODGLPJOKDC-PWSUYJOCSA-N -1 3 385.436 0.016 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571259078 945375757 /nfs/dbraw/zinc/37/57/57/945375757.db2.gz GZPOMUBRAQKHCH-KFWWJZLASA-N -1 3 385.428 0.247 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571259078 945375766 /nfs/dbraw/zinc/37/57/66/945375766.db2.gz GZPOMUBRAQKHCH-KFWWJZLASA-N -1 3 385.428 0.247 20 0 GCADHM O=C(NC1CC2(C1)CC(Nc1ncccc1-c1nnn[n-]1)C2)[C@@H]1COCCO1 ZINC001571259334 945383367 /nfs/dbraw/zinc/38/33/67/945383367.db2.gz LJHYQLFTQZAFOG-OGWWSKEASA-N -1 3 385.428 0.516 20 0 GCADHM O=C(NC1CC2(C1)CC(Nc1ncccc1-c1nn[n-]n1)C2)[C@@H]1COCCO1 ZINC001571259334 945383374 /nfs/dbraw/zinc/38/33/74/945383374.db2.gz LJHYQLFTQZAFOG-OGWWSKEASA-N -1 3 385.428 0.516 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOC3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259391 945386072 /nfs/dbraw/zinc/38/60/72/945386072.db2.gz MLANCNBQTZIVPA-DBYGNECLSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOC3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259391 945386080 /nfs/dbraw/zinc/38/60/80/945386080.db2.gz MLANCNBQTZIVPA-DBYGNECLSA-N -1 3 385.428 0.246 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571259544 945390690 /nfs/dbraw/zinc/39/06/90/945390690.db2.gz OJQOHKZHUVDQSH-AUZPSNTRSA-N -1 3 385.428 0.686 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571259544 945390701 /nfs/dbraw/zinc/39/07/01/945390701.db2.gz OJQOHKZHUVDQSH-AUZPSNTRSA-N -1 3 385.428 0.686 20 0 GCADHM CC(C)c1nc(CN2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571259517 945391327 /nfs/dbraw/zinc/39/13/27/945391327.db2.gz NQYFHHHEXUYZQC-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571259517 945391332 /nfs/dbraw/zinc/39/13/32/945391332.db2.gz NQYFHHHEXUYZQC-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)CN1CCCNC1=O ZINC001571259592 945392148 /nfs/dbraw/zinc/39/21/48/945392148.db2.gz OZQPEJJPVISCDE-DGCLKSJQSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)CN1CCCNC1=O ZINC001571259592 945392160 /nfs/dbraw/zinc/39/21/60/945392160.db2.gz OZQPEJJPVISCDE-DGCLKSJQSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571259612 945394395 /nfs/dbraw/zinc/39/43/95/945394395.db2.gz IHMZCVWNDAPPOC-CMPLNLGQSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571259612 945394410 /nfs/dbraw/zinc/39/44/10/945394410.db2.gz IHMZCVWNDAPPOC-CMPLNLGQSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571259618 945394518 /nfs/dbraw/zinc/39/45/18/945394518.db2.gz IHMZCVWNDAPPOC-ZYHUDNBSSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571259618 945394526 /nfs/dbraw/zinc/39/45/26/945394526.db2.gz IHMZCVWNDAPPOC-ZYHUDNBSSA-N -1 3 385.436 0.016 20 0 GCADHM NC(=O)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571259599 945394647 /nfs/dbraw/zinc/39/46/47/945394647.db2.gz IFHFUGVZYQBTFE-XQQFMLRXSA-N -1 3 385.432 0.254 20 0 GCADHM NC(=O)N1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571259599 945394656 /nfs/dbraw/zinc/39/46/56/945394656.db2.gz IFHFUGVZYQBTFE-XQQFMLRXSA-N -1 3 385.432 0.254 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCCO1)C2 ZINC001571259609 945395183 /nfs/dbraw/zinc/39/51/83/945395183.db2.gz PDPVDDAFACJMOC-ZOWXZIJZSA-N -1 3 385.428 0.579 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCCO1)C2 ZINC001571259609 945395192 /nfs/dbraw/zinc/39/51/92/945395192.db2.gz PDPVDDAFACJMOC-ZOWXZIJZSA-N -1 3 385.428 0.579 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)C[C@H]3COC(=O)C3)C2)n1 ZINC001571259744 945395767 /nfs/dbraw/zinc/39/57/67/945395767.db2.gz QJLFRMPNSFBZCT-CHWSQXEVSA-N -1 3 385.428 0.608 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)C[C@H]3COC(=O)C3)C2)n1 ZINC001571259744 945395776 /nfs/dbraw/zinc/39/57/76/945395776.db2.gz QJLFRMPNSFBZCT-CHWSQXEVSA-N -1 3 385.428 0.608 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2COCCO2)n1 ZINC001571259946 945403417 /nfs/dbraw/zinc/40/34/17/945403417.db2.gz SMDWQGZFZQEOKU-GUTXKFCHSA-N -1 3 385.428 0.165 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2COCCO2)n1 ZINC001571259946 945403424 /nfs/dbraw/zinc/40/34/24/945403424.db2.gz SMDWQGZFZQEOKU-GUTXKFCHSA-N -1 3 385.428 0.165 20 0 GCADHM CC(C)Cc1noc(CN2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571259930 945403728 /nfs/dbraw/zinc/40/37/28/945403728.db2.gz SFTHYIWXIRQGDP-UHFFFAOYSA-N -1 3 385.432 0.638 20 0 GCADHM CC(C)Cc1noc(CN2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571259930 945403736 /nfs/dbraw/zinc/40/37/36/945403736.db2.gz SFTHYIWXIRQGDP-UHFFFAOYSA-N -1 3 385.432 0.638 20 0 GCADHM O=C(C[C@H]1CCOC1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571259920 945404440 /nfs/dbraw/zinc/40/44/40/945404440.db2.gz RXYQETZIESQMFR-ZRJCITRHSA-N -1 3 385.428 0.056 20 0 GCADHM O=C(C[C@H]1CCOC1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571259920 945404445 /nfs/dbraw/zinc/40/44/45/945404445.db2.gz RXYQETZIESQMFR-ZRJCITRHSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820286621 945405888 /nfs/dbraw/zinc/40/58/88/945405888.db2.gz CZWISAFTYUAJGD-WFASDCNBSA-N -1 3 376.417 0.739 20 0 GCADHM Cc1nc(N2CCCN(C(=O)C[C@H]3COC(=O)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571260129 945407125 /nfs/dbraw/zinc/40/71/25/945407125.db2.gz WGRDYGJJHKWWAZ-CYBMUJFWSA-N -1 3 385.428 0.562 20 0 GCADHM Cc1nc(N2CCCN(C(=O)C[C@H]3COC(=O)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571260129 945407131 /nfs/dbraw/zinc/40/71/31/945407131.db2.gz WGRDYGJJHKWWAZ-CYBMUJFWSA-N -1 3 385.428 0.562 20 0 GCADHM CO[C@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)C1CC1 ZINC001571260149 945407671 /nfs/dbraw/zinc/40/76/71/945407671.db2.gz WQQFLZRJBGIZNW-GLQYFDAESA-N -1 3 385.428 0.293 20 0 GCADHM CO[C@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)C1CC1 ZINC001571260149 945407677 /nfs/dbraw/zinc/40/76/77/945407677.db2.gz WQQFLZRJBGIZNW-GLQYFDAESA-N -1 3 385.428 0.293 20 0 GCADHM Cc1nc(N2CCCN(C(=O)C[C@@H]3COC(=O)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571260131 945408236 /nfs/dbraw/zinc/40/82/36/945408236.db2.gz WGRDYGJJHKWWAZ-ZDUSSCGKSA-N -1 3 385.428 0.562 20 0 GCADHM Cc1nc(N2CCCN(C(=O)C[C@@H]3COC(=O)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571260131 945408243 /nfs/dbraw/zinc/40/82/43/945408243.db2.gz WGRDYGJJHKWWAZ-ZDUSSCGKSA-N -1 3 385.428 0.562 20 0 GCADHM CCCc1noc(CNC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571260191 945409125 /nfs/dbraw/zinc/40/91/25/945409125.db2.gz XKAOBXVIYOPIQA-UHFFFAOYSA-N -1 3 385.432 0.829 20 0 GCADHM CCCc1nc(CN2CC([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571260272 945412586 /nfs/dbraw/zinc/41/25/86/945412586.db2.gz ZNWJVHLPVQOYOZ-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM CCCc1nc(CN2CC([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571260272 945412590 /nfs/dbraw/zinc/41/25/90/945412590.db2.gz ZNWJVHLPVQOYOZ-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM CN1C[C@H](C(=O)N2CCCC[C@H]2CNc2ncccc2-c2nnn[n-]2)NC1=O ZINC001571260450 945416852 /nfs/dbraw/zinc/41/68/52/945416852.db2.gz TUQGPIWVYVJVTJ-WCQYABFASA-N -1 3 385.432 0.078 20 0 GCADHM CN1C[C@H](C(=O)N2CCCC[C@H]2CNc2ncccc2-c2nn[n-]n2)NC1=O ZINC001571260450 945416860 /nfs/dbraw/zinc/41/68/60/945416860.db2.gz TUQGPIWVYVJVTJ-WCQYABFASA-N -1 3 385.432 0.078 20 0 GCADHM CCn1cnc(C(=O)N[C@@H]2[C@H]3CN(c4snc(C)c4-c4nnn[n-]4)C[C@H]32)c1 ZINC001571261617 945429206 /nfs/dbraw/zinc/42/92/06/945429206.db2.gz HMOZYAABIFZALM-IWIIMEHWSA-N -1 3 385.457 0.713 20 0 GCADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H](C)N1CCOCC1 ZINC000820365139 945430453 /nfs/dbraw/zinc/43/04/53/945430453.db2.gz HQALDGDXELRMIG-VXGBXAGGSA-N -1 3 377.424 0.914 20 0 GCADHM CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(-c3nnn[n-]3)ccn1)C2 ZINC001571262195 945435006 /nfs/dbraw/zinc/43/50/06/945435006.db2.gz NVGWHJFGCSRPEI-UHFFFAOYSA-N -1 3 385.453 0.728 20 0 GCADHM CNS(=O)(=O)c1cccc2c1CCN(Cc1cc(-c3nn[n-]n3)ccn1)C2 ZINC001571262195 945435010 /nfs/dbraw/zinc/43/50/10/945435010.db2.gz NVGWHJFGCSRPEI-UHFFFAOYSA-N -1 3 385.453 0.728 20 0 GCADHM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2cnn(C)c2)c1-c1nnn[n-]1 ZINC001571262883 945445387 /nfs/dbraw/zinc/44/53/87/945445387.db2.gz BBVXGDUHFGWWRA-YABSGUDNSA-N -1 3 385.457 0.159 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC2(CCC2)C1 ZINC000820443921 945449200 /nfs/dbraw/zinc/44/92/00/945449200.db2.gz BAPABAOCTXDHQU-GFCCVEGCSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC2(CCC2)C1 ZINC000820443921 945449205 /nfs/dbraw/zinc/44/92/05/945449205.db2.gz BAPABAOCTXDHQU-GFCCVEGCSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCCOC1 ZINC000820447138 945453503 /nfs/dbraw/zinc/45/35/03/945453503.db2.gz YKNMPWINKVEPFW-NWDGAFQWSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCOC1 ZINC000820447138 945453509 /nfs/dbraw/zinc/45/35/09/945453509.db2.gz YKNMPWINKVEPFW-NWDGAFQWSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820467513 945456819 /nfs/dbraw/zinc/45/68/19/945456819.db2.gz IXLRETZJDQKOID-YGRLFVJLSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820467513 945456826 /nfs/dbraw/zinc/45/68/26/945456826.db2.gz IXLRETZJDQKOID-YGRLFVJLSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820467151 945458203 /nfs/dbraw/zinc/45/82/03/945458203.db2.gz BBTSONFXPVQAMN-IINYFYTJSA-N -1 3 375.385 0.064 20 0 GCADHM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3ccnnc3C)C2)c1-c1nnn[n-]1 ZINC001571263492 945459586 /nfs/dbraw/zinc/45/95/86/945459586.db2.gz RJYXIVGUHJWEKC-PRHODGIISA-N -1 3 385.457 0.985 20 0 GCADHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000820494853 945463358 /nfs/dbraw/zinc/46/33/58/945463358.db2.gz CGNCRFAJJBRTQR-NSHDSACASA-N -1 3 386.412 0.078 20 0 GCADHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CC(=O)NC1CC1 ZINC000820494853 945463366 /nfs/dbraw/zinc/46/33/66/945463366.db2.gz CGNCRFAJJBRTQR-NSHDSACASA-N -1 3 386.412 0.078 20 0 GCADHM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3cnnc(C)c3)C2)c1-c1nnn[n-]1 ZINC001571263709 945465050 /nfs/dbraw/zinc/46/50/50/945465050.db2.gz XDSZKMHBVXEHDO-PRHODGIISA-N -1 3 385.457 0.985 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N(C)C1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571264607 945488026 /nfs/dbraw/zinc/48/80/26/945488026.db2.gz RYTMKMOGHXMRME-QGZVFWFLSA-N -1 3 385.472 0.230 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N(C)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571264607 945488030 /nfs/dbraw/zinc/48/80/30/945488030.db2.gz RYTMKMOGHXMRME-QGZVFWFLSA-N -1 3 385.472 0.230 20 0 GCADHM CN(C(=O)[C@@H]1CCCCN1C)C1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571264978 945497917 /nfs/dbraw/zinc/49/79/17/945497917.db2.gz AHOJTAMAYHGRAB-AWEZNQCLSA-N -1 3 385.476 0.568 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)c3sccc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820607295 945498892 /nfs/dbraw/zinc/49/88/92/945498892.db2.gz PGSUUJVLQUSZNW-AYVTZFPOSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)c3sccc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820607295 945498895 /nfs/dbraw/zinc/49/88/95/945498895.db2.gz PGSUUJVLQUSZNW-AYVTZFPOSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)NC(=O)NC1=O ZINC000820607375 945499037 /nfs/dbraw/zinc/49/90/37/945499037.db2.gz RZWWVALUWYASIH-VFZGTOFNSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)NC(=O)NC1=O ZINC000820607375 945499040 /nfs/dbraw/zinc/49/90/40/945499040.db2.gz RZWWVALUWYASIH-VFZGTOFNSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@]1(C2CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)NC(=O)NC1=O ZINC000820612860 945499180 /nfs/dbraw/zinc/49/91/80/945499180.db2.gz LUIXKHYRABPQQV-GOSISDBHSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@]1(C2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)NC(=O)NC1=O ZINC000820612860 945499186 /nfs/dbraw/zinc/49/91/86/945499186.db2.gz LUIXKHYRABPQQV-GOSISDBHSA-N -1 3 398.427 0.386 20 0 GCADHM CC1(C)SC(=O)N(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1=O ZINC000820607378 945499577 /nfs/dbraw/zinc/49/95/77/945499577.db2.gz SCUHQDUDAOKKLG-UHFFFAOYSA-N -1 3 388.457 0.815 20 0 GCADHM CC1(C)SC(=O)N(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1=O ZINC000820607378 945499583 /nfs/dbraw/zinc/49/95/83/945499583.db2.gz SCUHQDUDAOKKLG-UHFFFAOYSA-N -1 3 388.457 0.815 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CCOC[C@H]2CCCO2)C1=O ZINC000820636518 945504016 /nfs/dbraw/zinc/50/40/16/945504016.db2.gz SXHQDUBMYZPOCK-KDOFPFPSSA-N -1 3 386.412 0.829 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CCOC[C@H]2CCCO2)C1=O ZINC000820636518 945504023 /nfs/dbraw/zinc/50/40/23/945504023.db2.gz SXHQDUBMYZPOCK-KDOFPFPSSA-N -1 3 386.412 0.829 20 0 GCADHM CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571265310 945507466 /nfs/dbraw/zinc/50/74/66/945507466.db2.gz GYMBBVSIMSXYIT-UONOGXRCSA-N -1 3 385.476 0.474 20 0 GCADHM CN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265310 945507475 /nfs/dbraw/zinc/50/74/75/945507475.db2.gz GYMBBVSIMSXYIT-UONOGXRCSA-N -1 3 385.476 0.474 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H](NC(=O)CN3CCCC3)[C@@H]2C)n1 ZINC001571265441 945512257 /nfs/dbraw/zinc/51/22/57/945512257.db2.gz JZAWUYMJQZTFRJ-UONOGXRCSA-N -1 3 385.476 0.534 20 0 GCADHM Cn1cc(Cl)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001571265662 945516502 /nfs/dbraw/zinc/51/65/02/945516502.db2.gz OGRGPFAXXNZUED-QWRGUYRKSA-N -1 3 385.819 0.752 20 0 GCADHM Cn1cc(Cl)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001571265662 945516513 /nfs/dbraw/zinc/51/65/13/945516513.db2.gz OGRGPFAXXNZUED-QWRGUYRKSA-N -1 3 385.819 0.752 20 0 GCADHM CN1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571265811 945520875 /nfs/dbraw/zinc/52/08/75/945520875.db2.gz PIQLBGBKDWFGGH-MGPQQGTHSA-N -1 3 385.476 0.838 20 0 GCADHM CN1CCCC[C@H]1C(=O)NCC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265814 945522030 /nfs/dbraw/zinc/52/20/30/945522030.db2.gz PLPYBWYSRMSGAY-HNNXBMFYSA-N -1 3 385.476 0.474 20 0 GCADHM CN1CCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571266033 945528995 /nfs/dbraw/zinc/52/89/95/945528995.db2.gz UGMKQOZPRBDSND-DZGCQCFKSA-N -1 3 385.476 0.616 20 0 GCADHM CN1CCCC[C@H]1C(=O)N1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571266174 945534014 /nfs/dbraw/zinc/53/40/14/945534014.db2.gz XQSIBLPRAYHQNF-KBPBESRZSA-N -1 3 385.476 0.790 20 0 GCADHM CNC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)C1 ZINC001571266382 945539688 /nfs/dbraw/zinc/53/96/88/945539688.db2.gz PNTHKAYADRFDHR-JTQLQIEISA-N -1 3 385.475 0.151 20 0 GCADHM COc1nc(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)co1 ZINC001571267073 945562031 /nfs/dbraw/zinc/56/20/31/945562031.db2.gz INJXBSYSUASCGV-LLVKDONJSA-N -1 3 386.372 0.211 20 0 GCADHM COc1nc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)co1 ZINC001571267073 945562037 /nfs/dbraw/zinc/56/20/37/945562037.db2.gz INJXBSYSUASCGV-LLVKDONJSA-N -1 3 386.372 0.211 20 0 GCADHM CCC(=O)N1CCCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820838507 945568638 /nfs/dbraw/zinc/56/86/38/945568638.db2.gz UNZQPWKUVNZTDW-UHFFFAOYSA-N -1 3 392.485 0.585 20 0 GCADHM CCC(=O)N1CCCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820838507 945568644 /nfs/dbraw/zinc/56/86/44/945568644.db2.gz UNZQPWKUVNZTDW-UHFFFAOYSA-N -1 3 392.485 0.585 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O)c1ccoc1 ZINC001571267445 945571166 /nfs/dbraw/zinc/57/11/66/945571166.db2.gz VJHLXORTPYLRFH-HZPDHXFCSA-N -1 3 386.387 0.964 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O)c1ccoc1 ZINC001571267445 945571173 /nfs/dbraw/zinc/57/11/73/945571173.db2.gz VJHLXORTPYLRFH-HZPDHXFCSA-N -1 3 386.387 0.964 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O)c1ccco1 ZINC001571267465 945571572 /nfs/dbraw/zinc/57/15/72/945571572.db2.gz VVSKKRUZEKVKBI-LSDHHAIUSA-N -1 3 386.387 0.964 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O)c1ccco1 ZINC001571267465 945571576 /nfs/dbraw/zinc/57/15/76/945571576.db2.gz VVSKKRUZEKVKBI-LSDHHAIUSA-N -1 3 386.387 0.964 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O)c1ccco1 ZINC001571267464 945571624 /nfs/dbraw/zinc/57/16/24/945571624.db2.gz VVSKKRUZEKVKBI-HUUCEWRRSA-N -1 3 386.387 0.964 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O)c1ccco1 ZINC001571267464 945571632 /nfs/dbraw/zinc/57/16/32/945571632.db2.gz VVSKKRUZEKVKBI-HUUCEWRRSA-N -1 3 386.387 0.964 20 0 GCADHM O=C(NC[C@H]1CN(C/C(Cl)=C/Cl)CCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571267531 945573075 /nfs/dbraw/zinc/57/30/75/945573075.db2.gz YFDCWFNDXMBFCI-BSKOKIOFSA-N -1 3 386.243 0.944 20 0 GCADHM O=C(NC[C@H]1CN(C/C(Cl)=C/Cl)CCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571267531 945573083 /nfs/dbraw/zinc/57/30/83/945573083.db2.gz YFDCWFNDXMBFCI-BSKOKIOFSA-N -1 3 386.243 0.944 20 0 GCADHM Cn1c(C(=O)NCC2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)c[nH]c1=O ZINC001571267627 945575211 /nfs/dbraw/zinc/57/52/11/945575211.db2.gz ANGXFKYKDGLVBP-UHFFFAOYSA-N -1 3 386.391 0.307 20 0 GCADHM Cn1c(C(=O)NCC2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)c[nH]c1=O ZINC001571267627 945575216 /nfs/dbraw/zinc/57/52/16/945575216.db2.gz ANGXFKYKDGLVBP-UHFFFAOYSA-N -1 3 386.391 0.307 20 0 GCADHM Cn1nncc1C(=O)N1CC[C@](C)(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571267756 945577515 /nfs/dbraw/zinc/57/75/15/945577515.db2.gz DEOLPGOOKZRPLQ-MRXNPFEDSA-N -1 3 386.395 0.494 20 0 GCADHM Cn1nncc1C(=O)N1CC[C@](C)(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571267756 945577522 /nfs/dbraw/zinc/57/75/22/945577522.db2.gz DEOLPGOOKZRPLQ-MRXNPFEDSA-N -1 3 386.395 0.494 20 0 GCADHM C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571267711 945577908 /nfs/dbraw/zinc/57/79/08/945577908.db2.gz CKHHVHCPUJDCKN-ONGXEEELSA-N -1 3 386.395 0.350 20 0 GCADHM C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571267711 945577909 /nfs/dbraw/zinc/57/79/09/945577909.db2.gz CKHHVHCPUJDCKN-ONGXEEELSA-N -1 3 386.395 0.350 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571267820 945578423 /nfs/dbraw/zinc/57/84/23/945578423.db2.gz GAGFGBDJOWTTIU-JOYOIKCWSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571267820 945578428 /nfs/dbraw/zinc/57/84/28/945578428.db2.gz GAGFGBDJOWTTIU-JOYOIKCWSA-N -1 3 386.395 0.317 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571267822 945580005 /nfs/dbraw/zinc/58/00/05/945580005.db2.gz GCQVHIWNZAYGKE-JTQLQIEISA-N -1 3 386.395 0.494 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571267822 945580011 /nfs/dbraw/zinc/58/00/11/945580011.db2.gz GCQVHIWNZAYGKE-JTQLQIEISA-N -1 3 386.395 0.494 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)[C@@H]1COC(=O)N1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571267786 945580106 /nfs/dbraw/zinc/58/01/06/945580106.db2.gz DTEGUDCQSUTNDR-OLZOCXBDSA-N -1 3 386.416 0.187 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)[C@@H]1COC(=O)N1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571267786 945580111 /nfs/dbraw/zinc/58/01/11/945580111.db2.gz DTEGUDCQSUTNDR-OLZOCXBDSA-N -1 3 386.416 0.187 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571267823 945580187 /nfs/dbraw/zinc/58/01/87/945580187.db2.gz GCQVHIWNZAYGKE-SNVBAGLBSA-N -1 3 386.395 0.494 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571267823 945580190 /nfs/dbraw/zinc/58/01/90/945580190.db2.gz GCQVHIWNZAYGKE-SNVBAGLBSA-N -1 3 386.395 0.494 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1F)c1ncc[nH]1 ZINC001571267940 945584405 /nfs/dbraw/zinc/58/44/05/945584405.db2.gz JKDMFEYMGJLHJG-ZDUSSCGKSA-N -1 3 386.391 0.360 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1F)c1ncc[nH]1 ZINC001571267940 945584410 /nfs/dbraw/zinc/58/44/10/945584410.db2.gz JKDMFEYMGJLHJG-ZDUSSCGKSA-N -1 3 386.391 0.360 20 0 GCADHM C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571268007 945585731 /nfs/dbraw/zinc/58/57/31/945585731.db2.gz LCJIJEHJMGCIOV-CABZTGNLSA-N -1 3 386.395 0.492 20 0 GCADHM C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571268007 945585738 /nfs/dbraw/zinc/58/57/38/945585738.db2.gz LCJIJEHJMGCIOV-CABZTGNLSA-N -1 3 386.395 0.492 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)[C@H]2C)nnn1C ZINC001571268052 945586024 /nfs/dbraw/zinc/58/60/24/945586024.db2.gz MERJXODKHOUUQE-PELKAZGASA-N -1 3 386.395 0.553 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)[C@H]2C)nnn1C ZINC001571268052 945586031 /nfs/dbraw/zinc/58/60/31/945586031.db2.gz MERJXODKHOUUQE-PELKAZGASA-N -1 3 386.395 0.553 20 0 GCADHM CCc1nocc1CN1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](OC)C1 ZINC001571268014 945586464 /nfs/dbraw/zinc/58/64/64/945586464.db2.gz LEQDWHVYDQDGML-HUUCEWRRSA-N -1 3 386.416 0.374 20 0 GCADHM CCc1nocc1CN1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](OC)C1 ZINC001571268014 945586466 /nfs/dbraw/zinc/58/64/66/945586466.db2.gz LEQDWHVYDQDGML-HUUCEWRRSA-N -1 3 386.416 0.374 20 0 GCADHM CCn1nncc1C(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571268238 945589759 /nfs/dbraw/zinc/58/97/59/945589759.db2.gz OZEAESIWVJLHRE-INIZCTEOSA-N -1 3 386.395 0.411 20 0 GCADHM CCn1nncc1C(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571268238 945589767 /nfs/dbraw/zinc/58/97/67/945589767.db2.gz OZEAESIWVJLHRE-INIZCTEOSA-N -1 3 386.395 0.411 20 0 GCADHM CN(C(=O)[C@H]1COC(=O)N1)C1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001571268211 945589826 /nfs/dbraw/zinc/58/98/26/945589826.db2.gz OFVHNZWHONPXOB-GCZXYKMCSA-N -1 3 386.416 0.552 20 0 GCADHM CN(C(=O)[C@H]1COC(=O)N1)C1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001571268211 945589832 /nfs/dbraw/zinc/58/98/32/945589832.db2.gz OFVHNZWHONPXOB-GCZXYKMCSA-N -1 3 386.416 0.552 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCOC[C@H]2CNC(=O)c2cc(F)c[nH]2)n1 ZINC001571268291 945592536 /nfs/dbraw/zinc/59/25/36/945592536.db2.gz QRNUWBLGNDUGRJ-GFCCVEGCSA-N -1 3 386.391 0.673 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCOC[C@H]2CNC(=O)c2cc(F)c[nH]2)n1 ZINC001571268291 945592539 /nfs/dbraw/zinc/59/25/39/945592539.db2.gz QRNUWBLGNDUGRJ-GFCCVEGCSA-N -1 3 386.391 0.673 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnn(C)c1N ZINC001571268476 945595381 /nfs/dbraw/zinc/59/53/81/945595381.db2.gz SWJUBPLABBCBRB-QPUJVOFHSA-N -1 3 386.395 0.432 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnn(C)c1N ZINC001571268476 945595385 /nfs/dbraw/zinc/59/53/85/945595385.db2.gz SWJUBPLABBCBRB-QPUJVOFHSA-N -1 3 386.395 0.432 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cncc(F)c2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571268450 945596347 /nfs/dbraw/zinc/59/63/47/945596347.db2.gz SIACJOSSNDVOIO-SWLSCSKDSA-N -1 3 386.391 0.094 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cncc(F)c2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571268450 945596356 /nfs/dbraw/zinc/59/63/56/945596356.db2.gz SIACJOSSNDVOIO-SWLSCSKDSA-N -1 3 386.391 0.094 20 0 GCADHM Cc1cnc([C@H](C)NC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)o1 ZINC001571268552 945597904 /nfs/dbraw/zinc/59/79/04/945597904.db2.gz HFZAEQDTXQEPSA-NWDGAFQWSA-N -1 3 386.416 0.683 20 0 GCADHM Cc1cnc([C@H](C)NC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)o1 ZINC001571268552 945597910 /nfs/dbraw/zinc/59/79/10/945597910.db2.gz HFZAEQDTXQEPSA-NWDGAFQWSA-N -1 3 386.416 0.683 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1cc(F)ccc1-c1nnn[n-]1)c1ncc[nH]1 ZINC001571268927 945607516 /nfs/dbraw/zinc/60/75/16/945607516.db2.gz ZRLWHKKMBHOCAO-CYBMUJFWSA-N -1 3 386.391 0.360 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1cc(F)ccc1-c1nn[n-]n1)c1ncc[nH]1 ZINC001571268927 945607523 /nfs/dbraw/zinc/60/75/23/945607523.db2.gz ZRLWHKKMBHOCAO-CYBMUJFWSA-N -1 3 386.391 0.360 20 0 GCADHM CCc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001571268932 945607970 /nfs/dbraw/zinc/60/79/70/945607970.db2.gz ZVMOYJYJZGZKOE-CHWSQXEVSA-N -1 3 386.416 0.029 20 0 GCADHM CCc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001571268932 945607979 /nfs/dbraw/zinc/60/79/79/945607979.db2.gz ZVMOYJYJZGZKOE-CHWSQXEVSA-N -1 3 386.416 0.029 20 0 GCADHM CN(C)Cc1nc(C(C)(C)NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)no1 ZINC001571269241 945615078 /nfs/dbraw/zinc/61/50/78/945615078.db2.gz SXWYVIMALMKKTD-UHFFFAOYSA-N -1 3 386.420 0.170 20 0 GCADHM CN(C)Cc1nc(C(C)(C)NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)no1 ZINC001571269241 945615083 /nfs/dbraw/zinc/61/50/83/945615083.db2.gz SXWYVIMALMKKTD-UHFFFAOYSA-N -1 3 386.420 0.170 20 0 GCADHM Cc1cc(CN2CCCO[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)on1 ZINC001571269319 945617619 /nfs/dbraw/zinc/61/76/19/945617619.db2.gz VCVGLTHPFWVTOB-AWEZNQCLSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1cc(CN2CCCO[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)on1 ZINC001571269319 945617622 /nfs/dbraw/zinc/61/76/22/945617622.db2.gz VCVGLTHPFWVTOB-AWEZNQCLSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)ns1 ZINC001571269610 945621030 /nfs/dbraw/zinc/62/10/30/945621030.db2.gz ACRQTGUMFAONDG-AOOOYVTPSA-N -1 3 386.441 0.898 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)ns1 ZINC001571269610 945621033 /nfs/dbraw/zinc/62/10/33/945621033.db2.gz ACRQTGUMFAONDG-AOOOYVTPSA-N -1 3 386.441 0.898 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ns1 ZINC001571269637 945622832 /nfs/dbraw/zinc/62/28/32/945622832.db2.gz BHDXIELAMUTWSD-NSHDSACASA-N -1 3 386.441 0.994 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ns1 ZINC001571269637 945622835 /nfs/dbraw/zinc/62/28/35/945622835.db2.gz BHDXIELAMUTWSD-NSHDSACASA-N -1 3 386.441 0.994 20 0 GCADHM COCc1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571269846 945624750 /nfs/dbraw/zinc/62/47/50/945624750.db2.gz FATBSTBULMLSCJ-LLVKDONJSA-N -1 3 386.441 0.873 20 0 GCADHM COCc1ncc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571269846 945624754 /nfs/dbraw/zinc/62/47/54/945624754.db2.gz FATBSTBULMLSCJ-LLVKDONJSA-N -1 3 386.441 0.873 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2nccs2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571269810 945626021 /nfs/dbraw/zinc/62/60/21/945626021.db2.gz CXQWKQQDYRTZAV-MWLCHTKSSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2nccs2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571269810 945626024 /nfs/dbraw/zinc/62/60/24/945626024.db2.gz CXQWKQQDYRTZAV-MWLCHTKSSA-N -1 3 386.441 0.980 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C)s1 ZINC001571269865 945626043 /nfs/dbraw/zinc/62/60/43/945626043.db2.gz FQSHSBGSBJIUOZ-PHIMTYICSA-N -1 3 386.441 0.959 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C)s1 ZINC001571269865 945626049 /nfs/dbraw/zinc/62/60/49/945626049.db2.gz FQSHSBGSBJIUOZ-PHIMTYICSA-N -1 3 386.441 0.959 20 0 GCADHM O=C(c1nccs1)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571269945 945627132 /nfs/dbraw/zinc/62/71/32/945627132.db2.gz INQHMIAIFCWKNW-INIZCTEOSA-N -1 3 386.441 0.797 20 0 GCADHM O=C(c1nccs1)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571269945 945627134 /nfs/dbraw/zinc/62/71/34/945627134.db2.gz INQHMIAIFCWKNW-INIZCTEOSA-N -1 3 386.441 0.797 20 0 GCADHM Cc1nsc(N[C@H]2C[C@@H](NC(=O)c3cccn(C)c3=O)C2)c1-c1nnn[n-]1 ZINC001571270209 945631677 /nfs/dbraw/zinc/63/16/77/945631677.db2.gz NLOCJJMXPLGNQT-AOOOYVTPSA-N -1 3 386.441 0.703 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)c1cnc(C)s1 ZINC001571270352 945634849 /nfs/dbraw/zinc/63/48/49/945634849.db2.gz QXWHLZMPZBLBFO-CHWSQXEVSA-N -1 3 386.441 0.660 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)c1cnc(C)s1 ZINC001571270352 945634853 /nfs/dbraw/zinc/63/48/53/945634853.db2.gz QXWHLZMPZBLBFO-CHWSQXEVSA-N -1 3 386.441 0.660 20 0 GCADHM Cc1nscc1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571270555 945637080 /nfs/dbraw/zinc/63/70/80/945637080.db2.gz UWXDAMKBCBRRTD-LLVKDONJSA-N -1 3 386.441 0.946 20 0 GCADHM Cc1nscc1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571270555 945637085 /nfs/dbraw/zinc/63/70/85/945637085.db2.gz UWXDAMKBCBRRTD-LLVKDONJSA-N -1 3 386.441 0.946 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)s1 ZINC001571270582 945639271 /nfs/dbraw/zinc/63/92/71/945639271.db2.gz VUSZDMMXSYKYCO-MGCOHNPYSA-N -1 3 386.441 0.959 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)s1 ZINC001571270582 945639283 /nfs/dbraw/zinc/63/92/83/945639283.db2.gz VUSZDMMXSYKYCO-MGCOHNPYSA-N -1 3 386.441 0.959 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2cscn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571270672 945640416 /nfs/dbraw/zinc/64/04/16/945640416.db2.gz YLFKCRLEQVNEOZ-KOLCDFICSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2cscn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571270672 945640420 /nfs/dbraw/zinc/64/04/20/945640420.db2.gz YLFKCRLEQVNEOZ-KOLCDFICSA-N -1 3 386.441 0.980 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)ns1 ZINC001571270647 945640897 /nfs/dbraw/zinc/64/08/97/945640897.db2.gz XORGOXNYEQOMJW-MWLCHTKSSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)ns1 ZINC001571270647 945640902 /nfs/dbraw/zinc/64/09/02/945640902.db2.gz XORGOXNYEQOMJW-MWLCHTKSSA-N -1 3 386.441 0.993 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccc(Cl)cn1 ZINC001571271883 945652601 /nfs/dbraw/zinc/65/26/01/945652601.db2.gz LRJWGQRWUGDBRA-NSHDSACASA-N -1 3 386.803 0.888 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccc(Cl)cn1 ZINC001571271883 945652607 /nfs/dbraw/zinc/65/26/07/945652607.db2.gz LRJWGQRWUGDBRA-NSHDSACASA-N -1 3 386.803 0.888 20 0 GCADHM CCN1C[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CC1=O ZINC000821240772 945658881 /nfs/dbraw/zinc/65/88/81/945658881.db2.gz ITZYLBGCIZLYDM-GFCCVEGCSA-N -1 3 399.455 0.635 20 0 GCADHM CCN1C[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CC1=O ZINC000821240772 945658886 /nfs/dbraw/zinc/65/88/86/945658886.db2.gz ITZYLBGCIZLYDM-GFCCVEGCSA-N -1 3 399.455 0.635 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)c1cc(Cl)c[nH]1 ZINC001571272487 945663218 /nfs/dbraw/zinc/66/32/18/945663218.db2.gz UPWMTUISAWENKK-WOFXILAISA-N -1 3 386.803 0.677 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)c1cc(Cl)c[nH]1 ZINC001571272487 945663219 /nfs/dbraw/zinc/66/32/19/945663219.db2.gz UPWMTUISAWENKK-WOFXILAISA-N -1 3 386.803 0.677 20 0 GCADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821277211 945663582 /nfs/dbraw/zinc/66/35/82/945663582.db2.gz RYYMAKXAPLVSKH-UHFFFAOYSA-N -1 3 377.792 0.053 20 0 GCADHM CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821277211 945663589 /nfs/dbraw/zinc/66/35/89/945663589.db2.gz RYYMAKXAPLVSKH-UHFFFAOYSA-N -1 3 377.792 0.053 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2ccc(Cl)cn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571272495 945664464 /nfs/dbraw/zinc/66/44/64/945664464.db2.gz UWIUERIJJKCBPG-XYPYZODXSA-N -1 3 386.803 0.934 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2ccc(Cl)cn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571272495 945664468 /nfs/dbraw/zinc/66/44/68/945664468.db2.gz UWIUERIJJKCBPG-XYPYZODXSA-N -1 3 386.803 0.934 20 0 GCADHM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821319868 945668474 /nfs/dbraw/zinc/66/84/74/945668474.db2.gz IQLMULYVUULJDN-GFCCVEGCSA-N -1 3 376.373 0.296 20 0 GCADHM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821319868 945668482 /nfs/dbraw/zinc/66/84/82/945668482.db2.gz IQLMULYVUULJDN-GFCCVEGCSA-N -1 3 376.373 0.296 20 0 GCADHM CCOC(=O)[C@@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCO1 ZINC000821326240 945670887 /nfs/dbraw/zinc/67/08/87/945670887.db2.gz VSDTTYBNZLTNFJ-ZDUSSCGKSA-N -1 3 385.384 0.681 20 0 GCADHM CCOC(=O)[C@@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCO1 ZINC000821326240 945670890 /nfs/dbraw/zinc/67/08/90/945670890.db2.gz VSDTTYBNZLTNFJ-ZDUSSCGKSA-N -1 3 385.384 0.681 20 0 GCADHM CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821325587 945671002 /nfs/dbraw/zinc/67/10/02/945671002.db2.gz HAHSMXKPHWATDQ-SNVBAGLBSA-N -1 3 390.400 0.542 20 0 GCADHM CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000821325587 945671007 /nfs/dbraw/zinc/67/10/07/945671007.db2.gz HAHSMXKPHWATDQ-SNVBAGLBSA-N -1 3 390.400 0.542 20 0 GCADHM Cc1nc(N[C@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C)ccc1-c1nnn[n-]1 ZINC001571272900 945674080 /nfs/dbraw/zinc/67/40/80/945674080.db2.gz KKFKMZFZURZXFY-WFASDCNBSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1nc(N[C@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001571272900 945674084 /nfs/dbraw/zinc/67/40/84/945674084.db2.gz KKFKMZFZURZXFY-WFASDCNBSA-N -1 3 386.460 0.161 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001571273089 945678948 /nfs/dbraw/zinc/67/89/48/945678948.db2.gz OUXLLXRHZYQVHK-OAHLLOKOSA-N -1 3 386.460 0.021 20 0 GCADHM O=C(CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)NC1CCCCCC1 ZINC001571273352 945685726 /nfs/dbraw/zinc/68/57/26/945685726.db2.gz VXQQOHKWWCURON-UHFFFAOYSA-N -1 3 386.460 0.448 20 0 GCADHM O=C(CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)NC1CCCCCC1 ZINC001571273352 945685733 /nfs/dbraw/zinc/68/57/33/945685733.db2.gz VXQQOHKWWCURON-UHFFFAOYSA-N -1 3 386.460 0.448 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CS(=O)(=O)N(CC)CC ZINC000821407590 945691052 /nfs/dbraw/zinc/69/10/52/945691052.db2.gz UYDORVPGUMNMKD-UHFFFAOYSA-N -1 3 382.446 0.876 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CS(=O)(=O)N(CC)CC ZINC000821407590 945691056 /nfs/dbraw/zinc/69/10/56/945691056.db2.gz UYDORVPGUMNMKD-UHFFFAOYSA-N -1 3 382.446 0.876 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)n1 ZINC001571273522 945691261 /nfs/dbraw/zinc/69/12/61/945691261.db2.gz YXJKDYDJIHUUIH-IUODEOHRSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@H]2C)n1 ZINC001571273522 945691268 /nfs/dbraw/zinc/69/12/68/945691268.db2.gz YXJKDYDJIHUUIH-IUODEOHRSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)o1 ZINC001571273968 945692313 /nfs/dbraw/zinc/69/23/13/945692313.db2.gz ACLYLWRAZGAESC-PRHODGIISA-N -1 3 387.379 0.594 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)o1 ZINC001571273968 945692321 /nfs/dbraw/zinc/69/23/21/945692321.db2.gz ACLYLWRAZGAESC-PRHODGIISA-N -1 3 387.379 0.594 20 0 GCADHM Cn1c(C(=O)NCC2CC(Nc3ncc(-c4nnn[n-]4)cc3F)C2)c[nH]c1=O ZINC001571274003 945693362 /nfs/dbraw/zinc/69/33/62/945693362.db2.gz AJKDPQHCXYULLG-UHFFFAOYSA-N -1 3 387.379 0.460 20 0 GCADHM Cn1c(C(=O)NCC2CC(Nc3ncc(-c4nn[n-]n4)cc3F)C2)c[nH]c1=O ZINC001571274003 945693370 /nfs/dbraw/zinc/69/33/70/945693370.db2.gz AJKDPQHCXYULLG-UHFFFAOYSA-N -1 3 387.379 0.460 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCc1nc(C(F)F)no1 ZINC001571274302 945694722 /nfs/dbraw/zinc/69/47/22/945694722.db2.gz FKMSKLATTSVEKB-UHFFFAOYSA-N -1 3 387.328 0.674 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCc1nc(C(F)F)no1 ZINC001571274302 945694725 /nfs/dbraw/zinc/69/47/25/945694725.db2.gz FKMSKLATTSVEKB-UHFFFAOYSA-N -1 3 387.328 0.674 20 0 GCADHM CCOc1ccnc(N2CCN(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000821437707 945695679 /nfs/dbraw/zinc/69/56/79/945695679.db2.gz RDJDOLXBIICQNO-MRXNPFEDSA-N -1 3 396.455 0.911 20 0 GCADHM COCCN1CC[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)C1 ZINC001571274378 945696959 /nfs/dbraw/zinc/69/69/59/945696959.db2.gz GHAZLMMJNSBBDF-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM COCCN1CC[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)C1 ZINC001571274378 945696964 /nfs/dbraw/zinc/69/69/64/945696964.db2.gz GHAZLMMJNSBBDF-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)c1n[nH]cc1F ZINC001571274890 945701575 /nfs/dbraw/zinc/70/15/75/945701575.db2.gz MHAJINFXZJXYPE-SECBINFHSA-N -1 3 387.379 0.434 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)c1n[nH]cc1F ZINC001571274890 945701580 /nfs/dbraw/zinc/70/15/80/945701580.db2.gz MHAJINFXZJXYPE-SECBINFHSA-N -1 3 387.379 0.434 20 0 GCADHM Cc1coc(C(=O)NC[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)c1 ZINC001571274944 945701643 /nfs/dbraw/zinc/70/16/43/945701643.db2.gz MZENEVXWVLOULY-GFCCVEGCSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1coc(C(=O)NC[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)c1 ZINC001571274944 945701646 /nfs/dbraw/zinc/70/16/46/945701646.db2.gz MZENEVXWVLOULY-GFCCVEGCSA-N -1 3 387.375 0.937 20 0 GCADHM CC[C@](COC)(NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1)C(=O)OC ZINC001571275106 945702537 /nfs/dbraw/zinc/70/25/37/945702537.db2.gz PIFBZGDNKBECFS-CQSZACIVSA-N -1 3 387.393 0.252 20 0 GCADHM CC[C@](COC)(NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1)C(=O)OC ZINC001571275106 945702540 /nfs/dbraw/zinc/70/25/40/945702540.db2.gz PIFBZGDNKBECFS-CQSZACIVSA-N -1 3 387.393 0.252 20 0 GCADHM COC[C@](C)(NS(=O)(=O)c1c(C)cc(F)cc1-c1nnn[n-]1)C(=O)OC ZINC001571275110 945703407 /nfs/dbraw/zinc/70/34/07/945703407.db2.gz PLGMTRNPEWHFTI-AWEZNQCLSA-N -1 3 387.393 0.171 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001571275140 945704806 /nfs/dbraw/zinc/70/48/06/945704806.db2.gz QFLZZWBODNTCIO-RDDDGLTNSA-N -1 3 387.379 0.393 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001571275140 945704813 /nfs/dbraw/zinc/70/48/13/945704813.db2.gz QFLZZWBODNTCIO-RDDDGLTNSA-N -1 3 387.379 0.393 20 0 GCADHM O=C(NC[C@@H]1CCCCN1CCO)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571275330 945704879 /nfs/dbraw/zinc/70/48/79/945704879.db2.gz SDXAXPMDWBUCBJ-QMMMGPOBSA-N -1 3 386.869 0.945 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1COCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001571275300 945704928 /nfs/dbraw/zinc/70/49/28/945704928.db2.gz RXGRRLOOCFQMIY-LLVKDONJSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1COCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001571275300 945704932 /nfs/dbraw/zinc/70/49/32/945704932.db2.gz RXGRRLOOCFQMIY-LLVKDONJSA-N -1 3 387.375 0.937 20 0 GCADHM O=C1COc2cc(S(=O)(=O)NCc3cncc(-c4nnn[n-]4)c3)ccc2N1 ZINC001571275278 945704942 /nfs/dbraw/zinc/70/49/42/945704942.db2.gz ROCUCWSRPLUSCM-UHFFFAOYSA-N -1 3 387.381 0.071 20 0 GCADHM O=C1COc2cc(S(=O)(=O)NCc3cncc(-c4nn[n-]n4)c3)ccc2N1 ZINC001571275278 945704946 /nfs/dbraw/zinc/70/49/46/945704946.db2.gz ROCUCWSRPLUSCM-UHFFFAOYSA-N -1 3 387.381 0.071 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)C1 ZINC001571275341 945705059 /nfs/dbraw/zinc/70/50/59/945705059.db2.gz SELZKVGPMSLDBG-SSDOTTSWSA-N -1 3 387.372 0.430 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)C1 ZINC001571275341 945705063 /nfs/dbraw/zinc/70/50/63/945705063.db2.gz SELZKVGPMSLDBG-SSDOTTSWSA-N -1 3 387.372 0.430 20 0 GCADHM Cc1nc(C(=O)NC[C@H]2COCCN2c2cccc(F)c2-c2nnn[n-]2)co1 ZINC001571275606 945709367 /nfs/dbraw/zinc/70/93/67/945709367.db2.gz YNBWYDKOJSTZFI-NSHDSACASA-N -1 3 387.375 0.937 20 0 GCADHM Cc1nc(C(=O)NC[C@H]2COCCN2c2cccc(F)c2-c2nn[n-]n2)co1 ZINC001571275606 945709372 /nfs/dbraw/zinc/70/93/72/945709372.db2.gz YNBWYDKOJSTZFI-NSHDSACASA-N -1 3 387.375 0.937 20 0 GCADHM COc1nc(C(=O)NCC2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)co1 ZINC001571275557 945709923 /nfs/dbraw/zinc/70/99/23/945709923.db2.gz WMZZXLFZZUDRGV-UHFFFAOYSA-N -1 3 387.375 0.864 20 0 GCADHM COc1nc(C(=O)NCC2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)co1 ZINC001571275557 945709935 /nfs/dbraw/zinc/70/99/35/945709935.db2.gz WMZZXLFZZUDRGV-UHFFFAOYSA-N -1 3 387.375 0.864 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)N1CCCC1 ZINC001571275661 945710804 /nfs/dbraw/zinc/71/08/04/945710804.db2.gz AFEQOVXTWUYPQI-OLZOCXBDSA-N -1 3 386.460 0.400 20 0 GCADHM CCN1CCO[C@H](C(=O)N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571275927 945718260 /nfs/dbraw/zinc/71/82/60/945718260.db2.gz FTVUBCVFVCKTPW-ZFWWWQNUSA-N -1 3 386.460 0.385 20 0 GCADHM CCN1CCO[C@H](C(=O)N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571275927 945718268 /nfs/dbraw/zinc/71/82/68/945718268.db2.gz FTVUBCVFVCKTPW-ZFWWWQNUSA-N -1 3 386.460 0.385 20 0 GCADHM COCc1noc(CN2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571275960 945720038 /nfs/dbraw/zinc/72/00/38/945720038.db2.gz ALTOBNXYCIBJQH-SNVBAGLBSA-N -1 3 387.404 0.119 20 0 GCADHM COCc1noc(CN2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571275960 945720045 /nfs/dbraw/zinc/72/00/45/945720045.db2.gz ALTOBNXYCIBJQH-SNVBAGLBSA-N -1 3 387.404 0.119 20 0 GCADHM COCc1noc(CN2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001571275995 945720058 /nfs/dbraw/zinc/72/00/58/945720058.db2.gz BKQNCTCRXKFXFU-UHFFFAOYSA-N -1 3 387.404 0.072 20 0 GCADHM COCc1noc(CN2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001571275995 945720065 /nfs/dbraw/zinc/72/00/65/945720065.db2.gz BKQNCTCRXKFXFU-UHFFFAOYSA-N -1 3 387.404 0.072 20 0 GCADHM CN(C(=O)COc1ccccc1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821570642 945720447 /nfs/dbraw/zinc/72/04/47/945720447.db2.gz FEBBEKOMRHMRHK-UHFFFAOYSA-N -1 3 394.457 0.128 20 0 GCADHM CN(C(=O)COc1ccccc1-c1nn[n-]n1)C1CCN(S(C)(=O)=O)CC1 ZINC000821570642 945720454 /nfs/dbraw/zinc/72/04/54/945720454.db2.gz FEBBEKOMRHMRHK-UHFFFAOYSA-N -1 3 394.457 0.128 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001571276033 945722167 /nfs/dbraw/zinc/72/21/67/945722167.db2.gz CRBMWFRJIQIRKJ-HZPDHXFCSA-N -1 3 387.421 0.680 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001571276033 945722173 /nfs/dbraw/zinc/72/21/73/945722173.db2.gz CRBMWFRJIQIRKJ-HZPDHXFCSA-N -1 3 387.421 0.680 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1C[C@H]1C1CC1 ZINC001571276172 945725050 /nfs/dbraw/zinc/72/50/50/945725050.db2.gz DNXVCUCQZRCRAI-MELADBBJSA-N -1 3 387.419 0.768 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1C[C@H]1C1CC1 ZINC001571276172 945725057 /nfs/dbraw/zinc/72/50/57/945725057.db2.gz DNXVCUCQZRCRAI-MELADBBJSA-N -1 3 387.419 0.768 20 0 GCADHM C[C@@]1(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001571276160 945725921 /nfs/dbraw/zinc/72/59/21/945725921.db2.gz DKGMXTTVZIGAIZ-GOSISDBHSA-N -1 3 387.419 0.571 20 0 GCADHM C[C@@]1(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001571276160 945725927 /nfs/dbraw/zinc/72/59/27/945725927.db2.gz DKGMXTTVZIGAIZ-GOSISDBHSA-N -1 3 387.419 0.571 20 0 GCADHM O=C([C@@H]1CCNC(=O)C1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001571276216 945727215 /nfs/dbraw/zinc/72/72/15/945727215.db2.gz FOMKQGBJKDKVHI-CYBMUJFWSA-N -1 3 387.419 0.176 20 0 GCADHM O=C([C@@H]1CCNC(=O)C1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001571276216 945727226 /nfs/dbraw/zinc/72/72/26/945727226.db2.gz FOMKQGBJKDKVHI-CYBMUJFWSA-N -1 3 387.419 0.176 20 0 GCADHM Cc1nc([C@H](C)N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571276252 945727447 /nfs/dbraw/zinc/72/74/47/945727447.db2.gz GCQKRGLSWQGNQX-JOYOIKCWSA-N -1 3 387.404 0.078 20 0 GCADHM Cc1nc([C@H](C)N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571276252 945727456 /nfs/dbraw/zinc/72/74/56/945727456.db2.gz GCQKRGLSWQGNQX-JOYOIKCWSA-N -1 3 387.404 0.078 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)[C@@H]1CCC(=O)NC1 ZINC001571276286 945729948 /nfs/dbraw/zinc/72/99/48/945729948.db2.gz GZMUMBATUGZXEK-CHWSQXEVSA-N -1 3 387.419 0.223 20 0 GCADHM COCc1noc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)n1 ZINC001571276358 945732654 /nfs/dbraw/zinc/73/26/54/945732654.db2.gz IEVTVLUTIOAKNH-MWLCHTKSSA-N -1 3 387.404 0.117 20 0 GCADHM COCc1noc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)n1 ZINC001571276358 945732663 /nfs/dbraw/zinc/73/26/63/945732663.db2.gz IEVTVLUTIOAKNH-MWLCHTKSSA-N -1 3 387.404 0.117 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571276370 945733182 /nfs/dbraw/zinc/73/31/82/945733182.db2.gz IHBPUYVFMLTVAS-NEPJUHHUSA-N -1 3 387.419 0.935 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571276370 945733185 /nfs/dbraw/zinc/73/31/85/945733185.db2.gz IHBPUYVFMLTVAS-NEPJUHHUSA-N -1 3 387.419 0.935 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571276679 945733864 /nfs/dbraw/zinc/73/38/64/945733864.db2.gz JEAVTTRCZUCOPL-IUODEOHRSA-N -1 3 387.419 0.317 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@H]1CCCC(=O)N1 ZINC001571276637 945735134 /nfs/dbraw/zinc/73/51/34/945735134.db2.gz IOHOWDIRJGBXRD-SWLSCSKDSA-N -1 3 387.419 0.365 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571276965 945736180 /nfs/dbraw/zinc/73/61/80/945736180.db2.gz LRUIKCDKEIHBAJ-CHWSQXEVSA-N -1 3 387.419 0.365 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ncc(-c3nnn[n-]3)cc1F)CC2)[C@H]1CCOC1 ZINC001571276973 945736552 /nfs/dbraw/zinc/73/65/52/945736552.db2.gz LUKWNOVCMVEARA-FZMZJTMJSA-N -1 3 387.419 0.912 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ncc(-c3nn[n-]n3)cc1F)CC2)[C@H]1CCOC1 ZINC001571276973 945736555 /nfs/dbraw/zinc/73/65/55/945736555.db2.gz LUKWNOVCMVEARA-FZMZJTMJSA-N -1 3 387.419 0.912 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571276968 945736585 /nfs/dbraw/zinc/73/65/85/945736585.db2.gz LRUIKCDKEIHBAJ-STQMWFEESA-N -1 3 387.419 0.365 20 0 GCADHM CCN1C[C@H](C(=O)NC2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CC1=O ZINC001571276726 945737084 /nfs/dbraw/zinc/73/70/84/945737084.db2.gz KJSCIANNYYLKIF-GFCCVEGCSA-N -1 3 387.419 0.175 20 0 GCADHM CCN1C[C@H](C(=O)NC2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CC1=O ZINC001571276726 945737089 /nfs/dbraw/zinc/73/70/89/945737089.db2.gz KJSCIANNYYLKIF-GFCCVEGCSA-N -1 3 387.419 0.175 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ncc(-c3nnn[n-]3)cc1F)CC2)[C@@H]1CCOC1 ZINC001571276974 945738038 /nfs/dbraw/zinc/73/80/38/945738038.db2.gz LUKWNOVCMVEARA-RISCZKNCSA-N -1 3 387.419 0.912 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ncc(-c3nn[n-]n3)cc1F)CC2)[C@@H]1CCOC1 ZINC001571276974 945738048 /nfs/dbraw/zinc/73/80/48/945738048.db2.gz LUKWNOVCMVEARA-RISCZKNCSA-N -1 3 387.419 0.912 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[C@@H](F)C3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571276979 945738075 /nfs/dbraw/zinc/73/80/75/945738075.db2.gz LZYBYHXUPKQUOO-CYRTVHNOSA-N -1 3 387.419 0.910 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[C@@H](F)C3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571276979 945738085 /nfs/dbraw/zinc/73/80/85/945738085.db2.gz LZYBYHXUPKQUOO-CYRTVHNOSA-N -1 3 387.419 0.910 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@H]1CCC(=O)NC1 ZINC001571276997 945738999 /nfs/dbraw/zinc/73/89/99/945738999.db2.gz MNIDWPHSUVZKAA-JSGCOSHPSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001571277013 945739279 /nfs/dbraw/zinc/73/92/79/945739279.db2.gz MTKHBOXERGEDGG-PJYBLOJUSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001571277013 945739288 /nfs/dbraw/zinc/73/92/88/945739288.db2.gz MTKHBOXERGEDGG-PJYBLOJUSA-N -1 3 387.419 0.981 20 0 GCADHM CO[C@@H]1CN([C@H](C)c2nnc(C)o2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571277362 945740284 /nfs/dbraw/zinc/74/02/84/945740284.db2.gz PFTUCOBAIVLICF-BZHVJNSISA-N -1 3 387.404 0.076 20 0 GCADHM CO[C@@H]1CN([C@H](C)c2nnc(C)o2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571277362 945740291 /nfs/dbraw/zinc/74/02/91/945740291.db2.gz PFTUCOBAIVLICF-BZHVJNSISA-N -1 3 387.404 0.076 20 0 GCADHM CC(C)N1CC[C@@H](N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001571277486 945743637 /nfs/dbraw/zinc/74/36/37/945743637.db2.gz KRLJBKFGBUEAIJ-IUODEOHRSA-N -1 3 386.460 0.398 20 0 GCADHM CCN1C[C@@H](C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CC1=O ZINC001571277724 945744981 /nfs/dbraw/zinc/74/49/81/945744981.db2.gz SGXJKLPTPNTCTH-NWDGAFQWSA-N -1 3 387.419 0.887 20 0 GCADHM CCN1C[C@@H](C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CC1=O ZINC001571277724 945744993 /nfs/dbraw/zinc/74/49/93/945744993.db2.gz SGXJKLPTPNTCTH-NWDGAFQWSA-N -1 3 387.419 0.887 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1COC2)c1ncc(-c2nnn[n-]2)cc1F ZINC001571277796 945746992 /nfs/dbraw/zinc/74/69/92/945746992.db2.gz SVPKFIGLNFGCBJ-LXIYXOSZSA-N -1 3 387.419 0.865 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1COC2)c1ncc(-c2nn[n-]n2)cc1F ZINC001571277796 945746997 /nfs/dbraw/zinc/74/69/97/945746997.db2.gz SVPKFIGLNFGCBJ-LXIYXOSZSA-N -1 3 387.419 0.865 20 0 GCADHM CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571277810 945747035 /nfs/dbraw/zinc/74/70/35/945747035.db2.gz TUBOWJCGCYESHS-STQMWFEESA-N -1 3 387.419 0.160 20 0 GCADHM CN(C(=O)[C@H]1CC[C@@H]1C(N)=O)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571277810 945747039 /nfs/dbraw/zinc/74/70/39/945747039.db2.gz TUBOWJCGCYESHS-STQMWFEESA-N -1 3 387.419 0.160 20 0 GCADHM CO[C@@H](C)c1noc(CN[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571277842 945747266 /nfs/dbraw/zinc/74/72/66/945747266.db2.gz UJAVENMNDYJFAY-LPEHRKFASA-N -1 3 387.404 0.336 20 0 GCADHM CO[C@@H](C)c1noc(CN[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571277842 945747276 /nfs/dbraw/zinc/74/72/76/945747276.db2.gz UJAVENMNDYJFAY-LPEHRKFASA-N -1 3 387.404 0.336 20 0 GCADHM O=C(NC[C@@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@]12C[C@H]1COC2 ZINC001571278076 945748917 /nfs/dbraw/zinc/74/89/17/945748917.db2.gz VMISJEKDSFMNQV-LXIYXOSZSA-N -1 3 387.419 0.912 20 0 GCADHM O=C(NC[C@@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@]12C[C@H]1COC2 ZINC001571278076 945748921 /nfs/dbraw/zinc/74/89/21/945748921.db2.gz VMISJEKDSFMNQV-LXIYXOSZSA-N -1 3 387.419 0.912 20 0 GCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001571278091 945749566 /nfs/dbraw/zinc/74/95/66/945749566.db2.gz VTARVAWGOSFOOA-HUUCEWRRSA-N -1 3 387.419 0.162 20 0 GCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001571278091 945749574 /nfs/dbraw/zinc/74/95/74/945749574.db2.gz VTARVAWGOSFOOA-HUUCEWRRSA-N -1 3 387.419 0.162 20 0 GCADHM O=C(CN1CCOC1=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571278106 945749771 /nfs/dbraw/zinc/74/97/71/945749771.db2.gz WAMRGQQZTRYRRV-UHFFFAOYSA-N -1 3 387.400 0.520 20 0 GCADHM O=C(CN1CCOC1=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571278106 945749776 /nfs/dbraw/zinc/74/97/76/945749776.db2.gz WAMRGQQZTRYRRV-UHFFFAOYSA-N -1 3 387.400 0.520 20 0 GCADHM CN1CC[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CC1=O ZINC000821622140 945753154 /nfs/dbraw/zinc/75/31/54/945753154.db2.gz TZPJTUZFEPCAKP-GFCCVEGCSA-N -1 3 399.455 0.635 20 0 GCADHM CN1CC[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CC1=O ZINC000821622140 945753164 /nfs/dbraw/zinc/75/31/64/945753164.db2.gz TZPJTUZFEPCAKP-GFCCVEGCSA-N -1 3 399.455 0.635 20 0 GCADHM CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571278471 945753697 /nfs/dbraw/zinc/75/36/97/945753697.db2.gz NTKIQNLTGVSZAH-UMVBOHGHSA-N -1 3 386.460 0.289 20 0 GCADHM CCN1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571278471 945753702 /nfs/dbraw/zinc/75/37/02/945753702.db2.gz NTKIQNLTGVSZAH-UMVBOHGHSA-N -1 3 386.460 0.289 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1C[C@@H](O)[C@H](NC(=O)C2CCCC2)C1 ZINC001571278655 945758748 /nfs/dbraw/zinc/75/87/48/945758748.db2.gz QFAFWVOQXSWORQ-HZPDHXFCSA-N -1 3 386.456 0.727 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571278751 945759750 /nfs/dbraw/zinc/75/97/50/945759750.db2.gz BLHPPTJBGHHLNS-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571278751 945759759 /nfs/dbraw/zinc/75/97/59/945759759.db2.gz BLHPPTJBGHHLNS-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM CO[C@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1)C1CC1 ZINC001571278761 945760193 /nfs/dbraw/zinc/76/01/93/945760193.db2.gz BPAWCIXZVKDSTK-YJBOKZPZSA-N -1 3 387.444 0.452 20 0 GCADHM CO[C@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1)C1CC1 ZINC001571278761 945760200 /nfs/dbraw/zinc/76/02/00/945760200.db2.gz BPAWCIXZVKDSTK-YJBOKZPZSA-N -1 3 387.444 0.452 20 0 GCADHM CO[C@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571278810 945760967 /nfs/dbraw/zinc/76/09/67/945760967.db2.gz CNQIRCLJONHOJJ-QJZXMWHDSA-N -1 3 387.444 0.635 20 0 GCADHM CO[C@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571278810 945760970 /nfs/dbraw/zinc/76/09/70/945760970.db2.gz CNQIRCLJONHOJJ-QJZXMWHDSA-N -1 3 387.444 0.635 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)c3cc(=O)n(C)cn3)C2)c1-c1nnn[n-]1 ZINC001571278851 945762743 /nfs/dbraw/zinc/76/27/43/945762743.db2.gz DNWBXXGAIPKRBJ-SECBINFHSA-N -1 3 387.429 0.052 20 0 GCADHM CC1(C)CO[C@@H](CC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571278900 945765464 /nfs/dbraw/zinc/76/54/64/945765464.db2.gz FQXNAFJMUHUXAF-OLZOCXBDSA-N -1 3 387.444 0.731 20 0 GCADHM CC1(C)CO[C@@H](CC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571278900 945765468 /nfs/dbraw/zinc/76/54/68/945765468.db2.gz FQXNAFJMUHUXAF-OLZOCXBDSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(O)CC(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)nc1)CCO2 ZINC001571279040 945767666 /nfs/dbraw/zinc/76/76/66/945767666.db2.gz HDRRKYAISIRJQZ-GOSISDBHSA-N -1 3 387.444 0.230 20 0 GCADHM CC(C)(O)CC(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)nc1)CCO2 ZINC001571279040 945767669 /nfs/dbraw/zinc/76/76/69/945767669.db2.gz HDRRKYAISIRJQZ-GOSISDBHSA-N -1 3 387.444 0.230 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)[C@H]2COCCO2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571279078 945768454 /nfs/dbraw/zinc/76/84/54/945768454.db2.gz IIYRWWVXAQSUJH-CZUORRHYSA-N -1 3 387.444 0.352 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)[C@H]2COCCO2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571279078 945768460 /nfs/dbraw/zinc/76/84/60/945768460.db2.gz IIYRWWVXAQSUJH-CZUORRHYSA-N -1 3 387.444 0.352 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)CCOCC1 ZINC001571279083 945768804 /nfs/dbraw/zinc/76/88/04/945768804.db2.gz ILMSTHICWJWGHT-KGLIPLIRSA-N -1 3 387.444 0.134 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)CCOCC1 ZINC001571279083 945768813 /nfs/dbraw/zinc/76/88/13/945768813.db2.gz ILMSTHICWJWGHT-KGLIPLIRSA-N -1 3 387.444 0.134 20 0 GCADHM COC1CCC(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001571279094 945768828 /nfs/dbraw/zinc/76/88/28/945768828.db2.gz IQTWDBXQEVVREY-HRDQMINSSA-N -1 3 387.444 0.731 20 0 GCADHM COC1CCC(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001571279094 945768835 /nfs/dbraw/zinc/76/88/35/945768835.db2.gz IQTWDBXQEVVREY-HRDQMINSSA-N -1 3 387.444 0.731 20 0 GCADHM CC[C@H]1CC[C@H](C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)O1 ZINC001571279194 945771214 /nfs/dbraw/zinc/77/12/14/945771214.db2.gz KXEXYGLMMIBJCV-DZGCQCFKSA-N -1 3 387.444 0.873 20 0 GCADHM CC[C@H]1CC[C@H](C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)O1 ZINC001571279194 945771219 /nfs/dbraw/zinc/77/12/19/945771219.db2.gz KXEXYGLMMIBJCV-DZGCQCFKSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001571279292 945772995 /nfs/dbraw/zinc/77/29/95/945772995.db2.gz NGWGJRKCPRSHPC-UHXUCMFUSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001571279292 945773001 /nfs/dbraw/zinc/77/30/01/945773001.db2.gz NGWGJRKCPRSHPC-UHXUCMFUSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H]1CO[C@H](C(=O)N(C)C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001571279285 945773187 /nfs/dbraw/zinc/77/31/87/945773187.db2.gz NGMZRSRZLHARII-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H]1CO[C@H](C(=O)N(C)C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001571279285 945773191 /nfs/dbraw/zinc/77/31/91/945773191.db2.gz NGMZRSRZLHARII-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM CN(C(=O)C[C@@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279264 945774038 /nfs/dbraw/zinc/77/40/38/945774038.db2.gz MLKNEXNMIHGMFY-ZDUSSCGKSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C(=O)C[C@@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571279264 945774049 /nfs/dbraw/zinc/77/40/49/945774049.db2.gz MLKNEXNMIHGMFY-ZDUSSCGKSA-N -1 3 387.444 0.827 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC001571279296 945775626 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/nfs/dbraw/zinc/77/75/82/945777582.db2.gz OENSOANNIFIVSS-SKDRFNHKSA-N -1 3 387.425 0.262 20 0 GCADHM CN(C(=O)CC1OCCCO1)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571279459 945779676 /nfs/dbraw/zinc/77/96/76/945779676.db2.gz PNDAFBKAOFHBLL-UHFFFAOYSA-N -1 3 387.444 0.842 20 0 GCADHM CN(C(=O)CC1OCCCO1)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571279459 945779680 /nfs/dbraw/zinc/77/96/80/945779680.db2.gz PNDAFBKAOFHBLL-UHFFFAOYSA-N -1 3 387.444 0.842 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cnns1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571279479 945780086 /nfs/dbraw/zinc/78/00/86/945780086.db2.gz PUNUDEOUALOBGV-JTQLQIEISA-N -1 3 387.429 0.423 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cnns1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571279479 945780094 /nfs/dbraw/zinc/78/00/94/945780094.db2.gz PUNUDEOUALOBGV-JTQLQIEISA-N -1 3 387.429 0.423 20 0 GCADHM O=C(NCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cnns1 ZINC001571279475 945780139 /nfs/dbraw/zinc/78/01/39/945780139.db2.gz PSDHFUNHXKFKFJ-UHFFFAOYSA-N -1 3 387.429 0.329 20 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VTZVCVCWLOTBMH-UMVBOHGHSA-N -1 3 384.444 0.640 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573449253 945816260 /nfs/dbraw/zinc/81/62/60/945816260.db2.gz VTZVCVCWLOTBMH-UMVBOHGHSA-N -1 3 384.444 0.640 20 0 GCADHM COCCN1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821691442 945821278 /nfs/dbraw/zinc/82/12/78/945821278.db2.gz UYMUMRDWIYQBLC-UHFFFAOYSA-N -1 3 375.433 0.219 20 0 GCADHM CC(=O)N1CCc2c(sc(NC(=O)C[C@H]3COC(=O)C3)c2-c2nnn[n-]2)C1 ZINC001573450716 945829282 /nfs/dbraw/zinc/82/92/82/945829282.db2.gz MGGHWLAPDKOHJF-SECBINFHSA-N -1 3 390.425 0.725 20 0 GCADHM CC(=O)N1CCc2c(sc(NC(=O)C[C@H]3COC(=O)C3)c2-c2nn[n-]n2)C1 ZINC001573450716 945829291 /nfs/dbraw/zinc/82/92/91/945829291.db2.gz MGGHWLAPDKOHJF-SECBINFHSA-N -1 3 390.425 0.725 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)Cc3cnn(C)c3C)C2)c1-c1nnn[n-]1 ZINC001571282184 945832725 /nfs/dbraw/zinc/83/27/25/945832725.db2.gz TWKFMTXVBIBBHV-GFCCVEGCSA-N -1 3 387.473 0.929 20 0 GCADHM CC(C)(CCS(=O)(=O)NCc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001571282235 945834026 /nfs/dbraw/zinc/83/40/26/945834026.db2.gz VPLCOHLROLADDQ-UHFFFAOYSA-N -1 3 387.487 0.499 20 0 GCADHM CC(C)(CCS(=O)(=O)NCc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001571282235 945834038 /nfs/dbraw/zinc/83/40/38/945834038.db2.gz VPLCOHLROLADDQ-UHFFFAOYSA-N -1 3 387.487 0.499 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282352 945837461 /nfs/dbraw/zinc/83/74/61/945837461.db2.gz IIHUNOGORJZFMZ-JSGCOSHPSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282352 945837469 /nfs/dbraw/zinc/83/74/69/945837469.db2.gz IIHUNOGORJZFMZ-JSGCOSHPSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(CC[C@@H]1CCOC1)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571282536 945849105 /nfs/dbraw/zinc/84/91/05/945849105.db2.gz JREGAZSZAIKVHN-CYBMUJFWSA-N -1 3 387.444 0.686 20 0 GCADHM O=C(CC[C@@H]1CCOC1)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571282536 945849110 /nfs/dbraw/zinc/84/91/10/945849110.db2.gz JREGAZSZAIKVHN-CYBMUJFWSA-N -1 3 387.444 0.686 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001571282527 945849142 /nfs/dbraw/zinc/84/91/42/945849142.db2.gz JMJSWPFDSLUVJG-ZFWWWQNUSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001571282527 945849156 /nfs/dbraw/zinc/84/91/56/945849156.db2.gz JMJSWPFDSLUVJG-ZFWWWQNUSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573452377 945849576 /nfs/dbraw/zinc/84/95/76/945849576.db2.gz DGFLPAFJSITBNZ-RDTXWAMCSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573452377 945849589 /nfs/dbraw/zinc/84/95/89/945849589.db2.gz DGFLPAFJSITBNZ-RDTXWAMCSA-N -1 3 386.460 0.507 20 0 GCADHM O=C(COC1CCCCC1)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282588 945850690 /nfs/dbraw/zinc/85/06/90/945850690.db2.gz LJQKJQHFPPOGHQ-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(COC1CCCCC1)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282588 945850706 /nfs/dbraw/zinc/85/07/06/945850706.db2.gz LJQKJQHFPPOGHQ-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(CCC1CCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001571282573 945852226 /nfs/dbraw/zinc/85/22/26/945852226.db2.gz KZVFXQOOCVDSTR-UKRRQHHQSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(CCC1CCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001571282573 945852232 /nfs/dbraw/zinc/85/22/32/945852232.db2.gz KZVFXQOOCVDSTR-UKRRQHHQSA-N -1 3 387.444 0.467 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573452686 945852291 /nfs/dbraw/zinc/85/22/91/945852291.db2.gz HEQNBIIEKDVZPX-XIKOKIGWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573452686 945852301 /nfs/dbraw/zinc/85/23/01/945852301.db2.gz HEQNBIIEKDVZPX-XIKOKIGWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573452672 945852860 /nfs/dbraw/zinc/85/28/60/945852860.db2.gz HBWAOXHCAOOMHX-SFHVURJKSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573452672 945852874 /nfs/dbraw/zinc/85/28/74/945852874.db2.gz HBWAOXHCAOOMHX-SFHVURJKSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001573452657 945853970 /nfs/dbraw/zinc/85/39/70/945853970.db2.gz GSDTWLGWGSUTHM-ZBEGNZNMSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573452657 945853986 /nfs/dbraw/zinc/85/39/86/945853986.db2.gz GSDTWLGWGSUTHM-ZBEGNZNMSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)Nc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573453181 945857485 /nfs/dbraw/zinc/85/74/85/945857485.db2.gz JDQWXMOEIHOPIX-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)Nc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573453181 945857498 /nfs/dbraw/zinc/85/74/98/945857498.db2.gz JDQWXMOEIHOPIX-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC001573453166 945857682 /nfs/dbraw/zinc/85/76/82/945857682.db2.gz JBZSUBCPKQMMIT-KRWDZBQOSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC001573453166 945857697 /nfs/dbraw/zinc/85/76/97/945857697.db2.gz JBZSUBCPKQMMIT-KRWDZBQOSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CC1 ZINC001571282818 945861674 /nfs/dbraw/zinc/86/16/74/945861674.db2.gz RWKKIJBMGYVIGK-FKGLVLAHSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H]1CC[C@H](C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC1 ZINC001571282818 945861687 /nfs/dbraw/zinc/86/16/87/945861687.db2.gz RWKKIJBMGYVIGK-FKGLVLAHSA-N -1 3 387.444 0.323 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573453633 945863165 /nfs/dbraw/zinc/86/31/65/945863165.db2.gz NNUUWCQGQKXWSI-BTDLBPIBSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573453633 945863184 /nfs/dbraw/zinc/86/31/84/945863184.db2.gz NNUUWCQGQKXWSI-BTDLBPIBSA-N -1 3 392.439 0.868 20 0 GCADHM O=C(C[C@@H]1CCCCO1)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282899 945867159 /nfs/dbraw/zinc/86/71/59/945867159.db2.gz VCJVPYIILYNYDM-KBPBESRZSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(C[C@@H]1CCCCO1)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282899 945867164 /nfs/dbraw/zinc/86/71/64/945867164.db2.gz VCJVPYIILYNYDM-KBPBESRZSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(CC[C@H]1CCCOC1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571282953 945869607 /nfs/dbraw/zinc/86/96/07/945869607.db2.gz WPBSTLMVNZMSKE-CYBMUJFWSA-N -1 3 387.444 0.686 20 0 GCADHM O=C(CC[C@H]1CCCOC1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571282953 945869617 /nfs/dbraw/zinc/86/96/17/945869617.db2.gz WPBSTLMVNZMSKE-CYBMUJFWSA-N -1 3 387.444 0.686 20 0 GCADHM O=C(NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC001571282988 945870087 /nfs/dbraw/zinc/87/00/87/945870087.db2.gz XOLQAWPHKLOTHB-TZMCWYRMSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC001571282988 945870097 /nfs/dbraw/zinc/87/00/97/945870097.db2.gz XOLQAWPHKLOTHB-TZMCWYRMSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@H]1CCCOC1)N1CCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571283016 945873769 /nfs/dbraw/zinc/87/37/69/945873769.db2.gz YAQNRTYKCROFCQ-KGLIPLIRSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(C[C@H]1CCCOC1)N1CCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571283016 945873777 /nfs/dbraw/zinc/87/37/77/945873777.db2.gz YAQNRTYKCROFCQ-KGLIPLIRSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)C2CCC(O)CC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571283026 945873844 /nfs/dbraw/zinc/87/38/44/945873844.db2.gz YECSLWNHSXHBBF-CPCZMJQVSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)C2CCC(O)CC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571283026 945873853 /nfs/dbraw/zinc/87/38/53/945873853.db2.gz YECSLWNHSXHBBF-CPCZMJQVSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(NC1CCN(C(=O)[C@H]2CCCOCC2)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571283030 945873979 /nfs/dbraw/zinc/87/39/79/945873979.db2.gz YFDGMPDDZCCFEF-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(NC1CCN(C(=O)[C@H]2CCCOCC2)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571283030 945873988 /nfs/dbraw/zinc/87/39/88/945873988.db2.gz YFDGMPDDZCCFEF-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(C(=O)c3c(Cl)cnn3C)CC2)n1 ZINC001571283243 945883541 /nfs/dbraw/zinc/88/35/41/945883541.db2.gz CPLOFZXZZQGKNX-UHFFFAOYSA-N -1 3 387.835 0.919 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(C(=O)c3c(Cl)cnn3C)CC2)n1 ZINC001571283243 945883561 /nfs/dbraw/zinc/88/35/61/945883561.db2.gz CPLOFZXZZQGKNX-UHFFFAOYSA-N -1 3 387.835 0.919 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573456327 945891895 /nfs/dbraw/zinc/89/18/95/945891895.db2.gz JBNUOGRGSPNKFD-SFHVURJKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573456327 945891902 /nfs/dbraw/zinc/89/19/02/945891902.db2.gz JBNUOGRGSPNKFD-SFHVURJKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573456391 945892284 /nfs/dbraw/zinc/89/22/84/945892284.db2.gz KEYZSEMISSYVKG-BMLIUANNSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573456391 945892298 /nfs/dbraw/zinc/89/22/98/945892298.db2.gz KEYZSEMISSYVKG-BMLIUANNSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573456599 945894319 /nfs/dbraw/zinc/89/43/19/945894319.db2.gz MSMQYCXJJAQPGR-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573456599 945894336 /nfs/dbraw/zinc/89/43/36/945894336.db2.gz MSMQYCXJJAQPGR-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573456596 945894797 /nfs/dbraw/zinc/89/47/97/945894797.db2.gz MPXTUIKTFRTBQR-QWQRMKEZSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573456596 945894807 /nfs/dbraw/zinc/89/48/07/945894807.db2.gz MPXTUIKTFRTBQR-QWQRMKEZSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573456443 945894878 /nfs/dbraw/zinc/89/48/78/945894878.db2.gz KOZHLHVARNTFJD-SECBINFHSA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573456443 945894895 /nfs/dbraw/zinc/89/48/95/945894895.db2.gz KOZHLHVARNTFJD-SECBINFHSA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573457027 945903695 /nfs/dbraw/zinc/90/36/95/945903695.db2.gz SHYRBJNATVOUSK-NOZJJQNGSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573457027 945903703 /nfs/dbraw/zinc/90/37/03/945903703.db2.gz SHYRBJNATVOUSK-NOZJJQNGSA-N -1 3 390.423 0.574 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2cnc(Cl)n2C)C1 ZINC001571285075 945910124 /nfs/dbraw/zinc/91/01/24/945910124.db2.gz YFFQDDDNWSFZAN-JTQLQIEISA-N -1 3 387.835 1.000 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2cnc(Cl)n2C)C1 ZINC001571285075 945910131 /nfs/dbraw/zinc/91/01/31/945910131.db2.gz YFFQDDDNWSFZAN-JTQLQIEISA-N -1 3 387.835 1.000 20 0 GCADHM CC1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001571285343 945913559 /nfs/dbraw/zinc/91/35/59/945913559.db2.gz BPQNFJLACDAHBC-NSHDSACASA-N -1 3 388.407 0.162 20 0 GCADHM CC1(NC(=O)[C@@H]2CNC(=O)N2)CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001571285343 945913570 /nfs/dbraw/zinc/91/35/70/945913570.db2.gz BPQNFJLACDAHBC-NSHDSACASA-N -1 3 388.407 0.162 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573460160 945915680 /nfs/dbraw/zinc/91/56/80/945915680.db2.gz JZYDSMUTISJLNK-IUCAKERBSA-N -1 3 378.412 0.621 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573460160 945915688 /nfs/dbraw/zinc/91/56/88/945915688.db2.gz JZYDSMUTISJLNK-IUCAKERBSA-N -1 3 378.412 0.621 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573460215 945916843 /nfs/dbraw/zinc/91/68/43/945916843.db2.gz KDZGPDWQMZTGMW-UHFFFAOYSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573460215 945916849 /nfs/dbraw/zinc/91/68/49/945916849.db2.gz KDZGPDWQMZTGMW-UHFFFAOYSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573460426 945917018 /nfs/dbraw/zinc/91/70/18/945917018.db2.gz LCTZHPMAMMGTRM-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573460426 945917023 /nfs/dbraw/zinc/91/70/23/945917023.db2.gz LCTZHPMAMMGTRM-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573460653 945917261 /nfs/dbraw/zinc/91/72/61/945917261.db2.gz LIUATEMNHDLJNF-SMDDNHRTSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573460653 945917267 /nfs/dbraw/zinc/91/72/67/945917267.db2.gz LIUATEMNHDLJNF-SMDDNHRTSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@]1(CNc2ncc(-c3nnn[n-]3)cc2F)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001571285444 945918680 /nfs/dbraw/zinc/91/86/80/945918680.db2.gz DSTZEJPWPCMENT-YVEFUNNKSA-N -1 3 388.407 0.330 20 0 GCADHM C[C@]1(CNc2ncc(-c3nn[n-]n3)cc2F)CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001571285444 945918689 /nfs/dbraw/zinc/91/86/89/945918689.db2.gz DSTZEJPWPCMENT-YVEFUNNKSA-N -1 3 388.407 0.330 20 0 GCADHM Cn1cc(Cl)c(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571285549 945920295 /nfs/dbraw/zinc/92/02/95/945920295.db2.gz HYVCJTHIUGCKIZ-SNVBAGLBSA-N -1 3 387.835 0.905 20 0 GCADHM Cn1cc(Cl)c(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571285549 945920305 /nfs/dbraw/zinc/92/03/05/945920305.db2.gz HYVCJTHIUGCKIZ-SNVBAGLBSA-N -1 3 387.835 0.905 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573461838 945924628 /nfs/dbraw/zinc/92/46/28/945924628.db2.gz RETVIIYLYNCBQA-LLVKDONJSA-N -1 3 392.489 0.949 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573461839 945924820 /nfs/dbraw/zinc/92/48/20/945924820.db2.gz RETVIIYLYNCBQA-NSHDSACASA-N -1 3 392.489 0.949 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1C[C@H](CO)[C@H](CCO)C1 ZINC001571285732 945925033 /nfs/dbraw/zinc/92/50/33/945925033.db2.gz MNWWIUPZDGKWNW-NXEZZACHSA-N -1 3 387.849 0.132 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1C[C@H](CO)[C@H](CCO)C1 ZINC001571285732 945925040 /nfs/dbraw/zinc/92/50/40/945925040.db2.gz MNWWIUPZDGKWNW-NXEZZACHSA-N -1 3 387.849 0.132 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC001573461858 945925442 /nfs/dbraw/zinc/92/54/42/945925442.db2.gz SAUAYZDWJOEIPY-BXUZGUMPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC001573461858 945925444 /nfs/dbraw/zinc/92/54/44/945925444.db2.gz SAUAYZDWJOEIPY-BXUZGUMPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573462011 945927418 /nfs/dbraw/zinc/92/74/18/945927418.db2.gz VUFTYWADRBFHFN-JTQLQIEISA-N -1 3 391.501 0.779 20 0 GCADHM O=C([C@@H]1COCCO1)N1CC[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001571285765 945928216 /nfs/dbraw/zinc/92/82/16/945928216.db2.gz NHMWLNKQNLVUFT-GLQYFDAESA-N -1 3 388.403 0.458 20 0 GCADHM O=C([C@@H]1COCCO1)N1CC[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001571285765 945928224 /nfs/dbraw/zinc/92/82/24/945928224.db2.gz NHMWLNKQNLVUFT-GLQYFDAESA-N -1 3 388.403 0.458 20 0 GCADHM COc1cc(C(=O)N(C)[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)on1 ZINC001571285760 945928587 /nfs/dbraw/zinc/92/85/87/945928587.db2.gz NCTVWEQKXCKBCJ-JTQLQIEISA-N -1 3 388.363 0.748 20 0 GCADHM COc1cc(C(=O)N(C)[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)on1 ZINC001571285760 945928597 /nfs/dbraw/zinc/92/85/97/945928597.db2.gz NCTVWEQKXCKBCJ-JTQLQIEISA-N -1 3 388.363 0.748 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285878 945930483 /nfs/dbraw/zinc/93/04/83/945930483.db2.gz QAEKCMYKZQUJCU-OLZOCXBDSA-N -1 3 388.403 0.650 20 0 GCADHM CN1C[C@@H](C(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)NC1=O ZINC001571285854 945930893 /nfs/dbraw/zinc/93/08/93/945930893.db2.gz PRZMXJUSPXXFGS-KWBADKCTSA-N -1 3 388.407 0.336 20 0 GCADHM CN1C[C@@H](C(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)NC1=O ZINC001571285854 945930897 /nfs/dbraw/zinc/93/08/97/945930897.db2.gz PRZMXJUSPXXFGS-KWBADKCTSA-N -1 3 388.407 0.336 20 0 GCADHM Cc1ocnc1C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001571285976 945933213 /nfs/dbraw/zinc/93/32/13/945933213.db2.gz TXZHGQFKFSHNPR-NWDGAFQWSA-N -1 3 388.363 0.067 20 0 GCADHM Cc1ocnc1C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001571285976 945933220 /nfs/dbraw/zinc/93/32/20/945933220.db2.gz TXZHGQFKFSHNPR-NWDGAFQWSA-N -1 3 388.363 0.067 20 0 GCADHM O=C([C@@H]1COCCO1)N1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nnn[n-]1 ZINC001571286086 945936839 /nfs/dbraw/zinc/93/68/39/945936839.db2.gz XFVMWTLYVWENEI-ZOWXZIJZSA-N -1 3 388.403 0.601 20 0 GCADHM O=C([C@@H]1COCCO1)N1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nn[n-]n1 ZINC001571286086 945936846 /nfs/dbraw/zinc/93/68/46/945936846.db2.gz XFVMWTLYVWENEI-ZOWXZIJZSA-N -1 3 388.403 0.601 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573462398 945938632 /nfs/dbraw/zinc/93/86/32/945938632.db2.gz IDFYJXQTCBCKCH-NSHDSACASA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573462398 945938635 /nfs/dbraw/zinc/93/86/35/945938635.db2.gz IDFYJXQTCBCKCH-NSHDSACASA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573462429 945938869 /nfs/dbraw/zinc/93/88/69/945938869.db2.gz IZPDAADDRUGSQA-NSHDSACASA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573462429 945938871 /nfs/dbraw/zinc/93/88/71/945938871.db2.gz IZPDAADDRUGSQA-NSHDSACASA-N -1 3 376.396 0.010 20 0 GCADHM O=C([C@@H]1CNC(=O)N1)N1CCC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571286233 945939124 /nfs/dbraw/zinc/93/91/24/945939124.db2.gz BSLRRKJYADAUJA-GWCFXTLKSA-N -1 3 388.407 0.338 20 0 GCADHM O=C([C@@H]1CNC(=O)N1)N1CCC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571286233 945939136 /nfs/dbraw/zinc/93/91/36/945939136.db2.gz BSLRRKJYADAUJA-GWCFXTLKSA-N -1 3 388.407 0.338 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573462426 945940649 /nfs/dbraw/zinc/94/06/49/945940649.db2.gz IZPDAADDRUGSQA-LLVKDONJSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573462426 945940659 /nfs/dbraw/zinc/94/06/59/945940659.db2.gz IZPDAADDRUGSQA-LLVKDONJSA-N -1 3 376.396 0.010 20 0 GCADHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001571286454 945948011 /nfs/dbraw/zinc/94/80/11/945948011.db2.gz IFJGSASHXSJFCW-UHFFFAOYSA-N -1 3 388.413 0.239 20 0 GCADHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001571286454 945948015 /nfs/dbraw/zinc/94/80/15/945948015.db2.gz IFJGSASHXSJFCW-UHFFFAOYSA-N -1 3 388.413 0.239 20 0 GCADHM COc1ccc(C(=O)N(C)c2cc(-c3nnn[n-]3)ccn2)cc1S(C)(=O)=O ZINC001571286549 945949771 /nfs/dbraw/zinc/94/97/71/945949771.db2.gz KPLISBNDZCIKNX-UHFFFAOYSA-N -1 3 388.409 0.950 20 0 GCADHM COc1ccc(C(=O)N(C)c2cc(-c3nn[n-]n3)ccn2)cc1S(C)(=O)=O ZINC001571286549 945949783 /nfs/dbraw/zinc/94/97/83/945949783.db2.gz KPLISBNDZCIKNX-UHFFFAOYSA-N -1 3 388.409 0.950 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573463207 945951352 /nfs/dbraw/zinc/95/13/52/945951352.db2.gz TVRCGXQDKBUEBA-JSGCOSHPSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573463207 945951361 /nfs/dbraw/zinc/95/13/61/945951361.db2.gz TVRCGXQDKBUEBA-JSGCOSHPSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC001573463183 945952250 /nfs/dbraw/zinc/95/22/50/945952250.db2.gz SJOIEGOIEOUVML-FZMZJTMJSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC001573463183 945952259 /nfs/dbraw/zinc/95/22/59/945952259.db2.gz SJOIEGOIEOUVML-FZMZJTMJSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001573463329 945953504 /nfs/dbraw/zinc/95/35/04/945953504.db2.gz UYDJAAXVYLNOIZ-WCQYABFASA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001573463329 945953507 /nfs/dbraw/zinc/95/35/07/945953507.db2.gz UYDJAAXVYLNOIZ-WCQYABFASA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573463360 945953810 /nfs/dbraw/zinc/95/38/10/945953810.db2.gz VRMJMNCUWYUTLO-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573463360 945953825 /nfs/dbraw/zinc/95/38/25/945953825.db2.gz VRMJMNCUWYUTLO-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001573463328 945953838 /nfs/dbraw/zinc/95/38/38/945953838.db2.gz UYDJAAXVYLNOIZ-DGCLKSJQSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001573463328 945953850 /nfs/dbraw/zinc/95/38/50/945953850.db2.gz UYDJAAXVYLNOIZ-DGCLKSJQSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573463362 945955113 /nfs/dbraw/zinc/95/51/13/945955113.db2.gz VRVNNXHHLVBQOS-CQSZACIVSA-N -1 3 389.435 0.611 20 0 GCADHM CO[C@]1(C(=O)Nc2cc(-c3nnn[n-]3)c3ccccc3n2)CCS(=O)(=O)C1 ZINC001571286704 945955553 /nfs/dbraw/zinc/95/55/53/945955553.db2.gz POKGSJPTGIVPGY-MRXNPFEDSA-N -1 3 388.409 0.557 20 0 GCADHM CO[C@]1(C(=O)Nc2cc(-c3nn[n-]n3)c3ccccc3n2)CCS(=O)(=O)C1 ZINC001571286704 945955563 /nfs/dbraw/zinc/95/55/63/945955563.db2.gz POKGSJPTGIVPGY-MRXNPFEDSA-N -1 3 388.409 0.557 20 0 GCADHM O=C(CCNC(=O)c1ccsc1)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001571286814 945959866 /nfs/dbraw/zinc/95/98/66/945959866.db2.gz SEILMNSFSRGZIG-UHFFFAOYSA-N -1 3 388.413 0.414 20 0 GCADHM O=C(CCNC(=O)c1ccsc1)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001571286814 945959879 /nfs/dbraw/zinc/95/98/79/945959879.db2.gz SEILMNSFSRGZIG-UHFFFAOYSA-N -1 3 388.413 0.414 20 0 GCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571286811 945960383 /nfs/dbraw/zinc/96/03/83/945960383.db2.gz SBZZTADXLGZJLN-RYUDHWBXSA-N -1 3 388.407 0.315 20 0 GCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571286811 945960394 /nfs/dbraw/zinc/96/03/94/945960394.db2.gz SBZZTADXLGZJLN-RYUDHWBXSA-N -1 3 388.407 0.315 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573463979 945964233 /nfs/dbraw/zinc/96/42/33/945964233.db2.gz FEUXNJKERQKJPQ-QWHCGFSZSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573463979 945964243 /nfs/dbraw/zinc/96/42/43/945964243.db2.gz FEUXNJKERQKJPQ-QWHCGFSZSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573464497 945966599 /nfs/dbraw/zinc/96/65/99/945966599.db2.gz KWGQTEPFFAORHZ-QMTHXVAHSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573464497 945966614 /nfs/dbraw/zinc/96/66/14/945966614.db2.gz KWGQTEPFFAORHZ-QMTHXVAHSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573465278 945973489 /nfs/dbraw/zinc/97/34/89/945973489.db2.gz XINWIZXGQHTJQV-PHIMTYICSA-N -1 3 375.408 0.980 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573465278 945973494 /nfs/dbraw/zinc/97/34/94/945973494.db2.gz XINWIZXGQHTJQV-PHIMTYICSA-N -1 3 375.408 0.980 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573465299 945974390 /nfs/dbraw/zinc/97/43/90/945974390.db2.gz XPKOQLLUAGBQEL-PHIMTYICSA-N -1 3 376.396 0.375 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573465299 945974399 /nfs/dbraw/zinc/97/43/99/945974399.db2.gz XPKOQLLUAGBQEL-PHIMTYICSA-N -1 3 376.396 0.375 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573467397 945978519 /nfs/dbraw/zinc/97/85/19/945978519.db2.gz DCTUZHLGXHTHBF-NSHDSACASA-N -1 3 377.424 0.815 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573467397 945978530 /nfs/dbraw/zinc/97/85/30/945978530.db2.gz DCTUZHLGXHTHBF-NSHDSACASA-N -1 3 377.424 0.815 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467643 945984512 /nfs/dbraw/zinc/98/45/12/945984512.db2.gz GVYJOPNKPKWIJA-RISCZKNCSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467643 945984520 /nfs/dbraw/zinc/98/45/20/945984520.db2.gz GVYJOPNKPKWIJA-RISCZKNCSA-N -1 3 389.435 0.563 20 0 GCADHM Cc1cc(CN2CCSCC2)ccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822199640 945986437 /nfs/dbraw/zinc/98/64/37/945986437.db2.gz BURRGSUFPIQGKT-UHFFFAOYSA-N -1 3 399.484 0.954 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573467811 945987181 /nfs/dbraw/zinc/98/71/81/945987181.db2.gz IOKRSXJCIWJLOG-LLVKDONJSA-N -1 3 377.424 0.421 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573468132 945991025 /nfs/dbraw/zinc/99/10/25/945991025.db2.gz KYUQXCHGOATRAP-IUCAKERBSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573468132 945991032 /nfs/dbraw/zinc/99/10/32/945991032.db2.gz KYUQXCHGOATRAP-IUCAKERBSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573468328 945992783 /nfs/dbraw/zinc/99/27/83/945992783.db2.gz MIDJTULBZQDQPI-JOYOIKCWSA-N -1 3 392.851 0.477 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573468328 945992793 /nfs/dbraw/zinc/99/27/93/945992793.db2.gz MIDJTULBZQDQPI-JOYOIKCWSA-N -1 3 392.851 0.477 20 0 GCADHM CC(C)(F)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001571289206 945997319 /nfs/dbraw/zinc/99/73/19/945997319.db2.gz XFMCAZHPCCLBHV-AWEZNQCLSA-N -1 3 388.451 0.733 20 0 GCADHM CC(C)(F)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001571289206 945997329 /nfs/dbraw/zinc/99/73/29/945997329.db2.gz XFMCAZHPCCLBHV-AWEZNQCLSA-N -1 3 388.451 0.733 20 0 GCADHM CC(C)(F)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571289248 945998729 /nfs/dbraw/zinc/99/87/29/945998729.db2.gz YBOXSWZMVUSEGE-AWEZNQCLSA-N -1 3 388.451 0.733 20 0 GCADHM CC(C)(F)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571289248 945998736 /nfs/dbraw/zinc/99/87/36/945998736.db2.gz YBOXSWZMVUSEGE-AWEZNQCLSA-N -1 3 388.451 0.733 20 0 GCADHM O=C(NC[C@H]1CN(Cc2nccs2)CCCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571289386 946003602 /nfs/dbraw/zinc/00/36/02/946003602.db2.gz BHEGDFLLAJQDEZ-LBPRGKRZSA-N -1 3 388.457 0.672 20 0 GCADHM O=C(NC[C@H]1CN(Cc2nccs2)CCCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571289386 946003614 /nfs/dbraw/zinc/00/36/14/946003614.db2.gz BHEGDFLLAJQDEZ-LBPRGKRZSA-N -1 3 388.457 0.672 20 0 GCADHM Cc1nsc(N2CCC(NC(=O)[C@H](C)n3cncn3)CC2)c1-c1nnn[n-]1 ZINC001571289454 946007749 /nfs/dbraw/zinc/00/77/49/946007749.db2.gz DYWLQUZRWOGCQZ-JTQLQIEISA-N -1 3 388.461 0.569 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573469947 946013304 /nfs/dbraw/zinc/01/33/04/946013304.db2.gz AFTUVWUGZRTBBR-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573469947 946013315 /nfs/dbraw/zinc/01/33/15/946013315.db2.gz AFTUVWUGZRTBBR-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001571289729 946014503 /nfs/dbraw/zinc/01/45/03/946014503.db2.gz LIIRHNCYQCGGCE-JTQLQIEISA-N -1 3 388.461 0.642 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573470042 946017274 /nfs/dbraw/zinc/01/72/74/946017274.db2.gz AWAFQAHHRXQHOY-FPMFFAJLSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573470042 946017287 /nfs/dbraw/zinc/01/72/87/946017287.db2.gz AWAFQAHHRXQHOY-FPMFFAJLSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573470243 946018495 /nfs/dbraw/zinc/01/84/95/946018495.db2.gz BKDQFGDTIYWCAX-GXTWGEPZSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573470243 946018502 /nfs/dbraw/zinc/01/85/02/946018502.db2.gz BKDQFGDTIYWCAX-GXTWGEPZSA-N -1 3 386.460 0.379 20 0 GCADHM Cc1nsc(NCC2CCN(C(=O)Cc3nnc[nH]3)CC2)c1-c1nnn[n-]1 ZINC001571289831 946021547 /nfs/dbraw/zinc/02/15/47/946021547.db2.gz NIFGEHQCZJLUST-UHFFFAOYSA-N -1 3 388.461 0.643 20 0 GCADHM Cc1nsc(NCC2CCN(C(=O)Cc3nnc[nH]3)CC2)c1-c1nn[n-]n1 ZINC001571289831 946021557 /nfs/dbraw/zinc/02/15/57/946021557.db2.gz NIFGEHQCZJLUST-UHFFFAOYSA-N -1 3 388.461 0.643 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C(C)(C)C1 ZINC001573470328 946023325 /nfs/dbraw/zinc/02/33/25/946023325.db2.gz CVPWEKYGWDJIIW-KOLCDFICSA-N -1 3 392.489 0.805 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573470320 946023347 /nfs/dbraw/zinc/02/33/47/946023347.db2.gz CUIJTWZBKVNJLS-JSGCOSHPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573470320 946023356 /nfs/dbraw/zinc/02/33/56/946023356.db2.gz CUIJTWZBKVNJLS-JSGCOSHPSA-N -1 3 386.460 0.522 20 0 GCADHM Cc1nc(SCC(=O)NC[C@H](O)c2c[nH]cn2)c(-c2nnn[n-]2)c(C)c1C ZINC001571289906 946024330 /nfs/dbraw/zinc/02/43/30/946024330.db2.gz PJYHOVTVPJNYRX-LBPRGKRZSA-N -1 3 388.457 0.852 20 0 GCADHM Cc1nc(SCC(=O)NC[C@H](O)c2c[nH]cn2)c(-c2nn[n-]n2)c(C)c1C ZINC001571289906 946024341 /nfs/dbraw/zinc/02/43/41/946024341.db2.gz PJYHOVTVPJNYRX-LBPRGKRZSA-N -1 3 388.457 0.852 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001573470444 946025893 /nfs/dbraw/zinc/02/58/93/946025893.db2.gz FDYGOKZCUWINHJ-UGFHNGPFSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001573470444 946025903 /nfs/dbraw/zinc/02/59/03/946025903.db2.gz FDYGOKZCUWINHJ-UGFHNGPFSA-N -1 3 384.444 0.356 20 0 GCADHM Cc1nsc(N2CCCO[C@H](CNC(=O)c3ccc[nH]3)C2)c1-c1nnn[n-]1 ZINC001571289995 946026990 /nfs/dbraw/zinc/02/69/90/946026990.db2.gz RXSDMBXODSHRNF-LLVKDONJSA-N -1 3 388.457 0.985 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573470488 946027507 /nfs/dbraw/zinc/02/75/07/946027507.db2.gz FSOCGINBHVOXNX-ONGXEEELSA-N -1 3 378.462 0.559 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573470533 946028026 /nfs/dbraw/zinc/02/80/26/946028026.db2.gz GORCCGVVPJUNCI-VIFPVBQESA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573470533 946028039 /nfs/dbraw/zinc/02/80/39/946028039.db2.gz GORCCGVVPJUNCI-VIFPVBQESA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573470574 946031468 /nfs/dbraw/zinc/03/14/68/946031468.db2.gz HEEJENSEQJOYKA-GXSJLCMTSA-N -1 3 378.462 0.417 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470677 946033114 /nfs/dbraw/zinc/03/31/14/946033114.db2.gz INUWEWJIBUGPJU-JQWIXIFHSA-N -1 3 390.423 0.210 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470677 946033126 /nfs/dbraw/zinc/03/31/26/946033126.db2.gz INUWEWJIBUGPJU-JQWIXIFHSA-N -1 3 390.423 0.210 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470676 946034120 /nfs/dbraw/zinc/03/41/20/946034120.db2.gz INUWEWJIBUGPJU-CMPLNLGQSA-N -1 3 390.423 0.210 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470676 946034135 /nfs/dbraw/zinc/03/41/35/946034135.db2.gz INUWEWJIBUGPJU-CMPLNLGQSA-N -1 3 390.423 0.210 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001571290327 946040147 /nfs/dbraw/zinc/04/01/47/946040147.db2.gz APVNBJXDNGEDDI-JTQLQIEISA-N -1 3 388.823 0.395 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001571290327 946040160 /nfs/dbraw/zinc/04/01/60/946040160.db2.gz APVNBJXDNGEDDI-JTQLQIEISA-N -1 3 388.823 0.395 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573471109 946044551 /nfs/dbraw/zinc/04/45/51/946044551.db2.gz MDVQJNVKWWTYPP-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573471109 946044565 /nfs/dbraw/zinc/04/45/65/946044565.db2.gz MDVQJNVKWWTYPP-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471268 946046145 /nfs/dbraw/zinc/04/61/45/946046145.db2.gz NQDIGRVNFBOHEY-PWSUYJOCSA-N -1 3 375.408 0.568 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471268 946046156 /nfs/dbraw/zinc/04/61/56/946046156.db2.gz NQDIGRVNFBOHEY-PWSUYJOCSA-N -1 3 375.408 0.568 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471269 946047449 /nfs/dbraw/zinc/04/74/49/946047449.db2.gz NQDIGRVNFBOHEY-ZYHUDNBSSA-N -1 3 375.408 0.568 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471269 946047462 /nfs/dbraw/zinc/04/74/62/946047462.db2.gz NQDIGRVNFBOHEY-ZYHUDNBSSA-N -1 3 375.408 0.568 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471264 946047760 /nfs/dbraw/zinc/04/77/60/946047760.db2.gz NPXAIPQWIHNLBM-WCQYABFASA-N -1 3 389.435 0.815 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471264 946047770 /nfs/dbraw/zinc/04/77/70/946047770.db2.gz NPXAIPQWIHNLBM-WCQYABFASA-N -1 3 389.435 0.815 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573471447 946048607 /nfs/dbraw/zinc/04/86/07/946048607.db2.gz PAOMZPJLJUTXJP-TZMCWYRMSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573471447 946048621 /nfs/dbraw/zinc/04/86/21/946048621.db2.gz PAOMZPJLJUTXJP-TZMCWYRMSA-N -1 3 386.460 0.745 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)c1ccc(Cl)[nH]1 ZINC001571290586 946048929 /nfs/dbraw/zinc/04/89/29/946048929.db2.gz JMXLNGFXFMXRDZ-LLVKDONJSA-N -1 3 388.819 0.878 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)c1ccc(Cl)[nH]1 ZINC001571290586 946048945 /nfs/dbraw/zinc/04/89/45/946048945.db2.gz JMXLNGFXFMXRDZ-LLVKDONJSA-N -1 3 388.819 0.878 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573471545 946051861 /nfs/dbraw/zinc/05/18/61/946051861.db2.gz PINFGHJKOWCKOA-GFCCVEGCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573471545 946051873 /nfs/dbraw/zinc/05/18/73/946051873.db2.gz PINFGHJKOWCKOA-GFCCVEGCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573471602 946052785 /nfs/dbraw/zinc/05/27/85/946052785.db2.gz PTDIPPNMDNHUPH-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573471602 946052798 /nfs/dbraw/zinc/05/27/98/946052798.db2.gz PTDIPPNMDNHUPH-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM CCc1[nH]nc(Cl)c1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571290778 946055687 /nfs/dbraw/zinc/05/56/87/946055687.db2.gz OMBXWBFERFJOCB-MRVPVSSYSA-N -1 3 388.823 0.922 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)n1cncn1 ZINC001571290851 946057344 /nfs/dbraw/zinc/05/73/44/946057344.db2.gz QTOMPAIJXXBZTN-MWLCHTKSSA-N -1 3 388.823 0.781 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)n1cncn1 ZINC001571290851 946057356 /nfs/dbraw/zinc/05/73/56/946057356.db2.gz QTOMPAIJXXBZTN-MWLCHTKSSA-N -1 3 388.823 0.781 20 0 GCADHM CCN(C(=O)c1cn[nH]n1)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571290940 946062452 /nfs/dbraw/zinc/06/24/52/946062452.db2.gz VAHJKINHHRQUOO-JTQLQIEISA-N -1 3 388.823 0.774 20 0 GCADHM Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001571291039 946066539 /nfs/dbraw/zinc/06/65/39/946066539.db2.gz YSRMAEBTDUNMEV-GMSGAONNSA-N -1 3 388.823 0.596 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573472687 946069782 /nfs/dbraw/zinc/06/97/82/946069782.db2.gz XIDBQRNMOAZWNW-ONGXEEELSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573472687 946069795 /nfs/dbraw/zinc/06/97/95/946069795.db2.gz XIDBQRNMOAZWNW-ONGXEEELSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573473116 946072615 /nfs/dbraw/zinc/07/26/15/946072615.db2.gz ZCJQTEHDKLCXQC-GZMMTYOYSA-N -1 3 378.824 0.453 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573473116 946072627 /nfs/dbraw/zinc/07/26/27/946072627.db2.gz ZCJQTEHDKLCXQC-GZMMTYOYSA-N -1 3 378.824 0.453 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573473118 946073248 /nfs/dbraw/zinc/07/32/48/946073248.db2.gz ZCJQTEHDKLCXQC-KWQFWETISA-N -1 3 378.824 0.453 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573473118 946073260 /nfs/dbraw/zinc/07/32/60/946073260.db2.gz ZCJQTEHDKLCXQC-KWQFWETISA-N -1 3 378.824 0.453 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573473001 946074730 /nfs/dbraw/zinc/07/47/30/946074730.db2.gz ZAGYJIGAHJBTAR-CABZTGNLSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573473001 946074738 /nfs/dbraw/zinc/07/47/38/946074738.db2.gz ZAGYJIGAHJBTAR-CABZTGNLSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573472987 946074757 /nfs/dbraw/zinc/07/47/57/946074757.db2.gz YRSBAFXRSNTFRF-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573472987 946074766 /nfs/dbraw/zinc/07/47/66/946074766.db2.gz YRSBAFXRSNTFRF-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)cn1 ZINC001571291401 946075303 /nfs/dbraw/zinc/07/53/03/946075303.db2.gz IZKNUSIVUMBOHH-UHFFFAOYSA-N -1 3 389.397 0.431 20 0 GCADHM CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)cn1 ZINC001571291401 946075314 /nfs/dbraw/zinc/07/53/14/946075314.db2.gz IZKNUSIVUMBOHH-UHFFFAOYSA-N -1 3 389.397 0.431 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573473271 946075949 /nfs/dbraw/zinc/07/59/49/946075949.db2.gz BARQPLUYKLSSDT-GBIKHYSHSA-N -1 3 390.423 0.432 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573473271 946075962 /nfs/dbraw/zinc/07/59/62/946075962.db2.gz BARQPLUYKLSSDT-GBIKHYSHSA-N -1 3 390.423 0.432 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573473281 946076024 /nfs/dbraw/zinc/07/60/24/946076024.db2.gz BBAKIGLXJOBEPX-NSHDSACASA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573473281 946076039 /nfs/dbraw/zinc/07/60/39/946076039.db2.gz BBAKIGLXJOBEPX-NSHDSACASA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573473300 946079037 /nfs/dbraw/zinc/07/90/37/946079037.db2.gz BHGTYLOQAURAJW-BVRBVLIYSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573473300 946079053 /nfs/dbraw/zinc/07/90/53/946079053.db2.gz BHGTYLOQAURAJW-BVRBVLIYSA-N -1 3 384.444 0.071 20 0 GCADHM Cc1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822395199 946079537 /nfs/dbraw/zinc/07/95/37/946079537.db2.gz VZBHCERHGVDKSE-SECBINFHSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822395199 946079552 /nfs/dbraw/zinc/07/95/52/946079552.db2.gz VZBHCERHGVDKSE-SECBINFHSA-N -1 3 393.454 0.937 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@H]21 ZINC001573474095 946085759 /nfs/dbraw/zinc/08/57/59/946085759.db2.gz IIISSEBTFNYYSG-ADEWGFFLSA-N -1 3 390.473 0.193 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@](C)(CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573474365 946089600 /nfs/dbraw/zinc/08/96/00/946089600.db2.gz KXYGTPRINBZEFM-FVMDXXJSSA-N -1 3 392.489 0.853 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573474597 946091843 /nfs/dbraw/zinc/09/18/43/946091843.db2.gz LJJRXUFUXJOCMZ-GXTWGEPZSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573474597 946091851 /nfs/dbraw/zinc/09/18/51/946091851.db2.gz LJJRXUFUXJOCMZ-GXTWGEPZSA-N -1 3 386.460 0.604 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2=COCCO2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571292370 946093166 /nfs/dbraw/zinc/09/31/66/946093166.db2.gz YPHAGUDDONGPHV-GWCFXTLKSA-N -1 3 389.391 0.763 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2=COCCO2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571292370 946093176 /nfs/dbraw/zinc/09/31/76/946093176.db2.gz YPHAGUDDONGPHV-GWCFXTLKSA-N -1 3 389.391 0.763 20 0 GCADHM Cc1nc(CN2CCN(C(=O)c3ncc(-c4nnn[n-]4)cc3Cl)CC2)no1 ZINC000822439976 946093511 /nfs/dbraw/zinc/09/35/11/946093511.db2.gz HEWOYGRTXRZKLK-UHFFFAOYSA-N -1 3 389.807 0.565 20 0 GCADHM Cc1nc(CN2CCN(C(=O)c3ncc(-c4nn[n-]n4)cc3Cl)CC2)no1 ZINC000822439976 946093524 /nfs/dbraw/zinc/09/35/24/946093524.db2.gz HEWOYGRTXRZKLK-UHFFFAOYSA-N -1 3 389.807 0.565 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573474820 946094366 /nfs/dbraw/zinc/09/43/66/946094366.db2.gz OAQOGLFSISWFPQ-ZYHUDNBSSA-N -1 3 391.407 0.170 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573474820 946094376 /nfs/dbraw/zinc/09/43/76/946094376.db2.gz OAQOGLFSISWFPQ-ZYHUDNBSSA-N -1 3 391.407 0.170 20 0 GCADHM Cc1nc(SCC(=O)NCC2(O)CCOCC2)c(-c2nnn[n-]2)c(C)c1C ZINC000822454063 946095246 /nfs/dbraw/zinc/09/52/46/946095246.db2.gz SGSLLJUOQKXLNC-UHFFFAOYSA-N -1 3 392.485 0.937 20 0 GCADHM Cc1nc(SCC(=O)NCC2(O)CCOCC2)c(-c2nn[n-]n2)c(C)c1C ZINC000822454063 946095256 /nfs/dbraw/zinc/09/52/56/946095256.db2.gz SGSLLJUOQKXLNC-UHFFFAOYSA-N -1 3 392.485 0.937 20 0 GCADHM Cc1nonc1CC(=O)NC1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001571293194 946099525 /nfs/dbraw/zinc/09/95/25/946099525.db2.gz AZMSNJOFLIISQA-UHFFFAOYSA-N -1 3 389.445 0.651 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573475351 946100499 /nfs/dbraw/zinc/10/04/99/946100499.db2.gz RRBSKUOMPQVYIN-DOMZBBRYSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573475351 946100503 /nfs/dbraw/zinc/10/05/03/946100503.db2.gz RRBSKUOMPQVYIN-DOMZBBRYSA-N -1 3 386.460 0.604 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@@H](O)Cn2ccnn2)cc1-c1nnn[n-]1 ZINC001571293316 946101306 /nfs/dbraw/zinc/10/13/06/946101306.db2.gz FFEDXJTZECXCFL-LLVKDONJSA-N -1 3 389.445 0.040 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@@H](O)Cn2ccnn2)cc1-c1nn[n-]n1 ZINC001571293316 946101312 /nfs/dbraw/zinc/10/13/12/946101312.db2.gz FFEDXJTZECXCFL-LLVKDONJSA-N -1 3 389.445 0.040 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573475631 946102678 /nfs/dbraw/zinc/10/26/78/946102678.db2.gz WLWOKHIPWGXKBQ-TYNCELHUSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573475631 946102685 /nfs/dbraw/zinc/10/26/85/946102685.db2.gz WLWOKHIPWGXKBQ-TYNCELHUSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573475597 946102746 /nfs/dbraw/zinc/10/27/46/946102746.db2.gz WCHIYJIISWHUPH-ZKYQVNSYSA-N -1 3 389.485 0.486 20 0 GCADHM C[C@H]1CS(=O)(=O)CCCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001571293408 946104133 /nfs/dbraw/zinc/10/41/33/946104133.db2.gz HOZQVURKMJNSDP-NSHDSACASA-N -1 3 389.441 0.926 20 0 GCADHM C[C@H]1CS(=O)(=O)CCCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001571293408 946104138 /nfs/dbraw/zinc/10/41/38/946104138.db2.gz HOZQVURKMJNSDP-NSHDSACASA-N -1 3 389.441 0.926 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573475811 946106045 /nfs/dbraw/zinc/10/60/45/946106045.db2.gz BCPDYEIUUMHYSG-QMTHXVAHSA-N -1 3 389.435 0.861 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001573475811 946106055 /nfs/dbraw/zinc/10/60/55/946106055.db2.gz BCPDYEIUUMHYSG-QMTHXVAHSA-N -1 3 389.435 0.861 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001571293417 946106548 /nfs/dbraw/zinc/10/65/48/946106548.db2.gz HWRQQLNCYMBVGG-LLVKDONJSA-N -1 3 389.441 0.921 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001571293417 946106554 /nfs/dbraw/zinc/10/65/54/946106554.db2.gz HWRQQLNCYMBVGG-LLVKDONJSA-N -1 3 389.441 0.921 20 0 GCADHM CO[C@H](C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001571293556 946107264 /nfs/dbraw/zinc/10/72/64/946107264.db2.gz LAVYBVIVUCMFKH-WFASDCNBSA-N -1 3 389.460 0.929 20 0 GCADHM CO[C@H](C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001571293556 946107278 /nfs/dbraw/zinc/10/72/78/946107278.db2.gz LAVYBVIVUCMFKH-WFASDCNBSA-N -1 3 389.460 0.929 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573475809 946107735 /nfs/dbraw/zinc/10/77/35/946107735.db2.gz BCPDYEIUUMHYSG-HZMBPMFUSA-N -1 3 389.435 0.861 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001573475809 946107741 /nfs/dbraw/zinc/10/77/41/946107741.db2.gz BCPDYEIUUMHYSG-HZMBPMFUSA-N -1 3 389.435 0.861 20 0 GCADHM CCC(CC)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571293574 946107829 /nfs/dbraw/zinc/10/78/29/946107829.db2.gz LPCCBVCYMHMCST-IAQYHMDHSA-N -1 3 389.460 0.977 20 0 GCADHM CCC(CC)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571293574 946107837 /nfs/dbraw/zinc/10/78/37/946107837.db2.gz LPCCBVCYMHMCST-IAQYHMDHSA-N -1 3 389.460 0.977 20 0 GCADHM CCC(CC)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571293573 946108543 /nfs/dbraw/zinc/10/85/43/946108543.db2.gz LPCCBVCYMHMCST-ABAIWWIYSA-N -1 3 389.460 0.977 20 0 GCADHM CCC(CC)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571293573 946108549 /nfs/dbraw/zinc/10/85/49/946108549.db2.gz LPCCBVCYMHMCST-ABAIWWIYSA-N -1 3 389.460 0.977 20 0 GCADHM Cc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822510954 946108518 /nfs/dbraw/zinc/10/85/18/946108518.db2.gz YOLLENWAINOVSH-ZETCQYMHSA-N -1 3 394.442 0.332 20 0 GCADHM Cc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822510954 946108534 /nfs/dbraw/zinc/10/85/34/946108534.db2.gz YOLLENWAINOVSH-ZETCQYMHSA-N -1 3 394.442 0.332 20 0 GCADHM Cc1cc(N2CCC(NS(=O)(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)n[nH]1 ZINC001571293637 946111022 /nfs/dbraw/zinc/11/10/22/946111022.db2.gz NPWVNJLGCLPQED-UHFFFAOYSA-N -1 3 389.445 0.241 20 0 GCADHM Cc1cc(N2CCC(NS(=O)(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)n[nH]1 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/nfs/dbraw/zinc/11/60/60/946116060.db2.gz RNRJROPNRKMHFJ-ZJUUUORDSA-N -1 3 389.441 0.345 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)C[C@H]1CS(N)(=O)=O ZINC001571293782 946116065 /nfs/dbraw/zinc/11/60/65/946116065.db2.gz RNRJROPNRKMHFJ-ZJUUUORDSA-N -1 3 389.441 0.345 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573476425 946117777 /nfs/dbraw/zinc/11/77/77/946117777.db2.gz GSXCZBLPUDJZIR-GHMZBOCLSA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573476425 946117789 /nfs/dbraw/zinc/11/77/89/946117789.db2.gz GSXCZBLPUDJZIR-GHMZBOCLSA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573476428 946118235 /nfs/dbraw/zinc/11/82/35/946118235.db2.gz GSXCZBLPUDJZIR-WDEREUQCSA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573476428 946118243 /nfs/dbraw/zinc/11/82/43/946118243.db2.gz 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PRYSZQPKALWGOX-SNVBAGLBSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573477425 946136408 /nfs/dbraw/zinc/13/64/08/946136408.db2.gz QPSWXHOBGFQHPK-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC12CCN(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573477425 946136418 /nfs/dbraw/zinc/13/64/18/946136418.db2.gz QPSWXHOBGFQHPK-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573477426 946137313 /nfs/dbraw/zinc/13/73/13/946137313.db2.gz QPSWXHOBGFQHPK-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573477426 946137317 /nfs/dbraw/zinc/13/73/17/946137317.db2.gz QPSWXHOBGFQHPK-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM Cn1nnc(C(=O)NC[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)n1 ZINC001571294664 946141335 /nfs/dbraw/zinc/14/13/35/946141335.db2.gz LFCYLXVDPSAQSO-OTSSQURYSA-N -1 3 389.811 0.059 20 0 GCADHM Cn1nnc(C(=O)NC[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)n1 ZINC001571294664 946141339 /nfs/dbraw/zinc/14/13/39/946141339.db2.gz LFCYLXVDPSAQSO-OTSSQURYSA-N -1 3 389.811 0.059 20 0 GCADHM O=C(Cc1ccc(Br)cc1-c1nnn[n-]1)NCc1ccc(=O)[nH]n1 ZINC001571294823 946145491 /nfs/dbraw/zinc/14/54/91/946145491.db2.gz MWNCEXATSJUJSD-UHFFFAOYSA-N -1 3 390.201 0.984 20 0 GCADHM O=C(Cc1ccc(Br)cc1-c1nn[n-]n1)NCc1ccc(=O)[nH]n1 ZINC001571294823 946145497 /nfs/dbraw/zinc/14/54/97/946145497.db2.gz MWNCEXATSJUJSD-UHFFFAOYSA-N -1 3 390.201 0.984 20 0 GCADHM Cn1cc(Cl)c(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571294779 946145786 /nfs/dbraw/zinc/14/57/86/946145786.db2.gz MCWURBCAUQJPEH-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1cc(Cl)c(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571294779 946145791 /nfs/dbraw/zinc/14/57/91/946145791.db2.gz MCWURBCAUQJPEH-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CC(CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573478485 946147221 /nfs/dbraw/zinc/14/72/21/946147221.db2.gz XABDIXOAURUOPQ-MFAVDMRSSA-N -1 3 378.462 0.463 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573478596 946149288 /nfs/dbraw/zinc/14/92/88/946149288.db2.gz XPMRRLIDMYYTJG-JQWIXIFHSA-N -1 3 392.489 0.631 20 0 GCADHM COc1cc(NC(=O)NCc2cn(C)c(=O)[nH]c2=O)c(F)cc1-c1nnn[n-]1 ZINC001571294956 946150893 /nfs/dbraw/zinc/15/08/93/946150893.db2.gz QXAKDVUXTUPNAC-UHFFFAOYSA-N -1 3 390.335 0.135 20 0 GCADHM COc1cc(NC(=O)NCc2cn(C)c(=O)[nH]c2=O)c(F)cc1-c1nn[n-]n1 ZINC001571294956 946150900 /nfs/dbraw/zinc/15/09/00/946150900.db2.gz QXAKDVUXTUPNAC-UHFFFAOYSA-N -1 3 390.335 0.135 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@@H]1N(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573478775 946150886 /nfs/dbraw/zinc/15/08/86/946150886.db2.gz YPZIMTWLFRUUMG-CDNVCLAFSA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@@H]1N(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573478775 946150887 /nfs/dbraw/zinc/15/08/87/946150887.db2.gz YPZIMTWLFRUUMG-CDNVCLAFSA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573478583 946150966 /nfs/dbraw/zinc/15/09/66/946150966.db2.gz XKCYGVBUOJXWJU-ISVAXAHUSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573478583 946150971 /nfs/dbraw/zinc/15/09/71/946150971.db2.gz XKCYGVBUOJXWJU-ISVAXAHUSA-N -1 3 392.851 0.746 20 0 GCADHM Cn1cc(C[C@@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000822674270 946153178 /nfs/dbraw/zinc/15/31/78/946153178.db2.gz PFYXPBLPBBFPCT-ZDUSSCGKSA-N -1 3 394.439 0.421 20 0 GCADHM Cn1cc(C[C@@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822674270 946153186 /nfs/dbraw/zinc/15/31/86/946153186.db2.gz PFYXPBLPBBFPCT-ZDUSSCGKSA-N -1 3 394.439 0.421 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573478964 946153796 /nfs/dbraw/zinc/15/37/96/946153796.db2.gz ZOJXVPQYPUWXES-YGRLFVJLSA-N -1 3 375.408 0.221 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571295102 946154578 /nfs/dbraw/zinc/15/45/78/946154578.db2.gz SXMFGMCOQICMKY-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571295102 946154585 /nfs/dbraw/zinc/15/45/85/946154585.db2.gz SXMFGMCOQICMKY-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822674677 946155112 /nfs/dbraw/zinc/15/51/12/946155112.db2.gz ZIMOEJFRJAEHAJ-ZDUSSCGKSA-N -1 3 394.395 0.157 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822674677 946155120 /nfs/dbraw/zinc/15/51/20/946155120.db2.gz ZIMOEJFRJAEHAJ-ZDUSSCGKSA-N -1 3 394.395 0.157 20 0 GCADHM Cn1cc(NC(=O)C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cn1 ZINC000822685147 946155874 /nfs/dbraw/zinc/15/58/74/946155874.db2.gz SZOMAHJDQDLFOP-UHFFFAOYSA-N -1 3 396.411 0.609 20 0 GCADHM Cn1cc(NC(=O)C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000822685147 946155880 /nfs/dbraw/zinc/15/58/80/946155880.db2.gz SZOMAHJDQDLFOP-UHFFFAOYSA-N -1 3 396.411 0.609 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573479238 946157043 /nfs/dbraw/zinc/15/70/43/946157043.db2.gz AWGBKKIHNCXWJZ-NSHDSACASA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573479238 946157048 /nfs/dbraw/zinc/15/70/48/946157048.db2.gz AWGBKKIHNCXWJZ-NSHDSACASA-N -1 3 389.435 0.863 20 0 GCADHM O=C(Cn1cnnn1)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571295343 946161670 /nfs/dbraw/zinc/16/16/70/946161670.db2.gz YKNJGZGWDFUUBA-SNVBAGLBSA-N -1 3 389.811 0.005 20 0 GCADHM O=C(Cn1cnnn1)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571295343 946161672 /nfs/dbraw/zinc/16/16/72/946161672.db2.gz YKNJGZGWDFUUBA-SNVBAGLBSA-N -1 3 389.811 0.005 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573479579 946164425 /nfs/dbraw/zinc/16/44/25/946164425.db2.gz FMLCISNRSZHRKF-ZYHUDNBSSA-N -1 3 392.489 0.489 20 0 GCADHM Cn1ncc2c1nc(CCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[nH]c2=O ZINC000822709679 946164621 /nfs/dbraw/zinc/16/46/21/946164621.db2.gz QKRUMWCKULMEQS-UHFFFAOYSA-N -1 3 383.347 0.959 20 0 GCADHM Cn1ncc2c1nc(CCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[nH]c2=O ZINC000822709679 946164628 /nfs/dbraw/zinc/16/46/28/946164628.db2.gz QKRUMWCKULMEQS-UHFFFAOYSA-N -1 3 383.347 0.959 20 0 GCADHM O=C(CCN1CCOCC1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571295762 946174222 /nfs/dbraw/zinc/17/42/22/946174222.db2.gz FGERLZDQDDAPBK-CYBMUJFWSA-N -1 3 390.423 0.136 20 0 GCADHM O=C(CCN1CCOCC1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571295762 946174227 /nfs/dbraw/zinc/17/42/27/946174227.db2.gz FGERLZDQDDAPBK-CYBMUJFWSA-N -1 3 390.423 0.136 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](c2nncn2C)C1 ZINC001571295860 946175945 /nfs/dbraw/zinc/17/59/45/946175945.db2.gz HRIJWFMHWIGARU-LLVKDONJSA-N -1 3 390.429 0.182 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](c2nncn2C)C1 ZINC001571295860 946175949 /nfs/dbraw/zinc/17/59/49/946175949.db2.gz HRIJWFMHWIGARU-LLVKDONJSA-N -1 3 390.429 0.182 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573482277 946193899 /nfs/dbraw/zinc/19/38/99/946193899.db2.gz VZZLCDLGXGRDKL-XPTSAGLGSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573482277 946193905 /nfs/dbraw/zinc/19/39/05/946193905.db2.gz VZZLCDLGXGRDKL-XPTSAGLGSA-N -1 3 375.408 0.837 20 0 GCADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)n2C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC001571296400 946193932 /nfs/dbraw/zinc/19/39/32/946193932.db2.gz XABZYHXCKILZIP-JTQLQIEISA-N -1 3 390.429 0.322 20 0 GCADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)n2C)n([C@H]2CCS(=O)(=O)C2)n1 ZINC001571296400 946193936 /nfs/dbraw/zinc/19/39/36/946193936.db2.gz XABZYHXCKILZIP-JTQLQIEISA-N -1 3 390.429 0.322 20 0 GCADHM Cc1nc(C(=O)NC[C@@H]2COCCN2c2snc(C)c2-c2nnn[n-]2)co1 ZINC001571296434 946194893 /nfs/dbraw/zinc/19/48/93/946194893.db2.gz XOHHIXFMMTWPOI-SNVBAGLBSA-N -1 3 390.429 0.563 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3C)C2)c1-c1nnn[n-]1 ZINC001571297946 946201995 /nfs/dbraw/zinc/20/19/95/946201995.db2.gz FGCWYZYKTDBRBO-WDEREUQCSA-N -1 3 390.473 0.337 20 0 GCADHM CSc1ccc(CNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nnn[n-]1 ZINC001571298035 946204258 /nfs/dbraw/zinc/20/42/58/946204258.db2.gz HXQXIDWJWMYBKK-LKFCYVNXSA-N -1 3 390.469 0.480 20 0 GCADHM CSc1ccc(CNC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nn[n-]n1 ZINC001571298035 946204263 /nfs/dbraw/zinc/20/42/63/946204263.db2.gz HXQXIDWJWMYBKK-LKFCYVNXSA-N -1 3 390.469 0.480 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573483294 946206810 /nfs/dbraw/zinc/20/68/10/946206810.db2.gz DBFPAZUAKAXWDY-AAEUAGOBSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573483294 946206818 /nfs/dbraw/zinc/20/68/18/946206818.db2.gz DBFPAZUAKAXWDY-AAEUAGOBSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573483605 946208936 /nfs/dbraw/zinc/20/89/36/946208936.db2.gz FWNJKZSQGHNMPI-TZMCWYRMSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573483605 946208945 /nfs/dbraw/zinc/20/89/45/946208945.db2.gz FWNJKZSQGHNMPI-TZMCWYRMSA-N -1 3 386.460 0.427 20 0 GCADHM Cc1nsc(N(C)[C@@H]2CCN(C(=O)C[C@H]3CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571298439 946215685 /nfs/dbraw/zinc/21/56/85/946215685.db2.gz NVTJZRQYZPNDTA-GHMZBOCLSA-N -1 3 390.473 0.337 20 0 GCADHM Cc1nsc(N2CCCN(C(=O)C[C@H]3CCC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571298469 946218862 /nfs/dbraw/zinc/21/88/62/946218862.db2.gz ONPRABYAEOZWRO-LLVKDONJSA-N -1 3 390.473 0.339 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCCC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573484622 946219489 /nfs/dbraw/zinc/21/94/89/946219489.db2.gz MZRVUGGAVQHBAY-QWRGUYRKSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573484622 946219502 /nfs/dbraw/zinc/21/95/02/946219502.db2.gz MZRVUGGAVQHBAY-QWRGUYRKSA-N -1 3 390.448 0.124 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822918085 946220462 /nfs/dbraw/zinc/22/04/62/946220462.db2.gz ZNHBIQJQACCFEU-LLVKDONJSA-N -1 3 394.432 0.089 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000822918085 946220472 /nfs/dbraw/zinc/22/04/72/946220472.db2.gz ZNHBIQJQACCFEU-LLVKDONJSA-N -1 3 394.432 0.089 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573485010 946220837 /nfs/dbraw/zinc/22/08/37/946220837.db2.gz OZUZQQZPGNGNNW-VXGBXAGGSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573485010 946220849 /nfs/dbraw/zinc/22/08/49/946220849.db2.gz OZUZQQZPGNGNNW-VXGBXAGGSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCCC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573484618 946221437 /nfs/dbraw/zinc/22/14/37/946221437.db2.gz MZRVUGGAVQHBAY-MNOVXSKESA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCCC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573484618 946221447 /nfs/dbraw/zinc/22/14/47/946221447.db2.gz MZRVUGGAVQHBAY-MNOVXSKESA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573485352 946224655 /nfs/dbraw/zinc/22/46/55/946224655.db2.gz QWZGEPVOBPYTGA-OCCSQVGLSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573485352 946224664 /nfs/dbraw/zinc/22/46/64/946224664.db2.gz QWZGEPVOBPYTGA-OCCSQVGLSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573485378 946225117 /nfs/dbraw/zinc/22/51/17/946225117.db2.gz RKKYBLWCANHFRR-SUZMYJTESA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573485378 946225130 /nfs/dbraw/zinc/22/51/30/946225130.db2.gz RKKYBLWCANHFRR-SUZMYJTESA-N -1 3 390.423 0.622 20 0 GCADHM Cc1nsc(NC2CC(N(C)C(=O)[C@H]3CCC(=O)N3C)C2)c1-c1nnn[n-]1 ZINC001571298726 946226293 /nfs/dbraw/zinc/22/62/93/946226293.db2.gz PYUQTKNQZUVGOF-VQXHTEKXSA-N -1 3 390.473 0.654 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCN(Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573485498 946227871 /nfs/dbraw/zinc/22/78/71/946227871.db2.gz UGLOBKNLEOKWIC-SNVBAGLBSA-N -1 3 377.474 0.533 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573485555 946229088 /nfs/dbraw/zinc/22/90/88/946229088.db2.gz VXOSEEZUTKOWNZ-GBIKHYSHSA-N -1 3 390.423 0.114 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573485555 946229094 /nfs/dbraw/zinc/22/90/94/946229094.db2.gz VXOSEEZUTKOWNZ-GBIKHYSHSA-N -1 3 390.423 0.114 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573485755 946232021 /nfs/dbraw/zinc/23/20/21/946232021.db2.gz YIMRURKTPGXQOE-JQWIXIFHSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573485755 946232034 /nfs/dbraw/zinc/23/20/34/946232034.db2.gz YIMRURKTPGXQOE-JQWIXIFHSA-N -1 3 390.423 0.258 20 0 GCADHM Cc1nsc(N2CC[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)C2)c1-c1nnn[n-]1 ZINC001571299544 946253311 /nfs/dbraw/zinc/25/33/11/946253311.db2.gz WSLJOIPATNXCSN-WDEREUQCSA-N -1 3 390.473 0.052 20 0 GCADHM Cc1nsc(N[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)c1-c1nnn[n-]1 ZINC001571299557 946254541 /nfs/dbraw/zinc/25/45/41/946254541.db2.gz XDQUHVRWMYBGAU-GHMZBOCLSA-N -1 3 390.473 0.561 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001573487594 946254805 /nfs/dbraw/zinc/25/48/05/946254805.db2.gz PQIBNCHNRBLIME-FNFWKMNBSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001573487594 946254811 /nfs/dbraw/zinc/25/48/11/946254811.db2.gz PQIBNCHNRBLIME-FNFWKMNBSA-N -1 3 384.444 0.261 20 0 GCADHM Cc1nsc(N[C@@H]2CN(C(=O)CN3CCCC3=O)C[C@@H]2C)c1-c1nnn[n-]1 ZINC001571299661 946256004 /nfs/dbraw/zinc/25/60/04/946256004.db2.gz YVUYWUJQJYGSKU-GXSJLCMTSA-N -1 3 390.473 0.513 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571299662 946260159 /nfs/dbraw/zinc/26/01/59/946260159.db2.gz OHQMQBYAZGEGMQ-SECBINFHSA-N -1 3 390.791 0.823 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571299662 946260171 /nfs/dbraw/zinc/26/01/71/946260171.db2.gz OHQMQBYAZGEGMQ-SECBINFHSA-N -1 3 390.791 0.823 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001573488010 946261541 /nfs/dbraw/zinc/26/15/41/946261541.db2.gz WMFQPDWQMGMGAG-MIUNTBIASA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001573488010 946261552 /nfs/dbraw/zinc/26/15/52/946261552.db2.gz WMFQPDWQMGMGAG-MIUNTBIASA-N -1 3 384.444 0.261 20 0 GCADHM O=C(NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@H]1CCC(=O)N1 ZINC001571299861 946264759 /nfs/dbraw/zinc/26/47/59/946264759.db2.gz PSMRTOITXMCOKH-BXKDBHETSA-N -1 3 390.835 0.136 20 0 GCADHM O=C(NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@H]1CCC(=O)N1 ZINC001571299861 946264770 /nfs/dbraw/zinc/26/47/70/946264770.db2.gz PSMRTOITXMCOKH-BXKDBHETSA-N -1 3 390.835 0.136 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H](O)c1ccccc1F ZINC000823005588 946265327 /nfs/dbraw/zinc/26/53/27/946265327.db2.gz YBDWCBGSESUATA-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)c1ccccc1F ZINC000823005588 946265342 /nfs/dbraw/zinc/26/53/42/946265342.db2.gz YBDWCBGSESUATA-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](O)c1ccccc1F ZINC000823005587 946265680 /nfs/dbraw/zinc/26/56/80/946265680.db2.gz YBDWCBGSESUATA-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)c1ccccc1F ZINC000823005587 946265689 /nfs/dbraw/zinc/26/56/89/946265689.db2.gz YBDWCBGSESUATA-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573488686 946271583 /nfs/dbraw/zinc/27/15/83/946271583.db2.gz INWAWIVUVKNFRV-OKILXGFUSA-N -1 3 384.444 0.770 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573488686 946271593 /nfs/dbraw/zinc/27/15/93/946271593.db2.gz INWAWIVUVKNFRV-OKILXGFUSA-N -1 3 384.444 0.770 20 0 GCADHM CC(=O)NC1(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCCC1 ZINC001573488779 946273773 /nfs/dbraw/zinc/27/37/73/946273773.db2.gz LUCCPDYRDFWWLJ-UHFFFAOYSA-N -1 3 389.485 0.678 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571300194 946275115 /nfs/dbraw/zinc/27/51/15/946275115.db2.gz WMVNMLGFRFLCAB-GXSJLCMTSA-N -1 3 390.835 0.454 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571300194 946275127 /nfs/dbraw/zinc/27/51/27/946275127.db2.gz WMVNMLGFRFLCAB-GXSJLCMTSA-N -1 3 390.835 0.454 20 0 GCADHM CC(=O)NC1(C(=O)NC2CN(Cc3ccccc3-c3nnn[n-]3)C2)CCCC1 ZINC001573488909 946280448 /nfs/dbraw/zinc/28/04/48/946280448.db2.gz PKIVZVJDPLVHEZ-UHFFFAOYSA-N -1 3 383.456 0.616 20 0 GCADHM CC(=O)NC1(C(=O)NC2CN(Cc3ccccc3-c3nn[n-]n3)C2)CCCC1 ZINC001573488909 946280457 /nfs/dbraw/zinc/28/04/57/946280457.db2.gz PKIVZVJDPLVHEZ-UHFFFAOYSA-N -1 3 383.456 0.616 20 0 GCADHM O=C(N[C@H]1CC12CCN(C(=O)[C@H]1CC1(F)F)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571301765 946282507 /nfs/dbraw/zinc/28/25/07/946282507.db2.gz CMIRDNLNHQGCQL-PWSUYJOCSA-N -1 3 391.382 0.961 20 0 GCADHM O=C(N[C@H]1CC12CCN(C(=O)[C@H]1CC1(F)F)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571301765 946282517 /nfs/dbraw/zinc/28/25/17/946282517.db2.gz CMIRDNLNHQGCQL-PWSUYJOCSA-N -1 3 391.382 0.961 20 0 GCADHM COC(=O)[C@@H](CCC1OCCO1)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001571301853 946284697 /nfs/dbraw/zinc/28/46/97/946284697.db2.gz FXXGIBLVWYGURF-GFCCVEGCSA-N -1 3 391.384 0.056 20 0 GCADHM COC(=O)[C@@H](CCC1OCCO1)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001571301853 946284704 /nfs/dbraw/zinc/28/47/04/946284704.db2.gz FXXGIBLVWYGURF-GFCCVEGCSA-N -1 3 391.384 0.056 20 0 GCADHM O=C(c1n[nH]cc1F)N1CCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571301885 946284724 /nfs/dbraw/zinc/28/47/24/946284724.db2.gz GRWGDGHPQDDHMK-VIFPVBQESA-N -1 3 391.342 0.216 20 0 GCADHM O=C(c1n[nH]cc1F)N1CCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571301885 946284731 /nfs/dbraw/zinc/28/47/31/946284731.db2.gz GRWGDGHPQDDHMK-VIFPVBQESA-N -1 3 391.342 0.216 20 0 GCADHM Cn1cc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C(F)F)n1 ZINC001571301896 946285048 /nfs/dbraw/zinc/28/50/48/946285048.db2.gz HDZVLUSLCPVDLG-JTQLQIEISA-N -1 3 391.386 0.870 20 0 GCADHM Cn1cc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C(F)F)n1 ZINC001571301896 946285059 /nfs/dbraw/zinc/28/50/59/946285059.db2.gz HDZVLUSLCPVDLG-JTQLQIEISA-N -1 3 391.386 0.870 20 0 GCADHM COC(=O)[C@H](CCC1OCCO1)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001571301854 946286185 /nfs/dbraw/zinc/28/61/85/946286185.db2.gz FXXGIBLVWYGURF-LBPRGKRZSA-N -1 3 391.384 0.056 20 0 GCADHM COC(=O)[C@H](CCC1OCCO1)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001571301854 946286198 /nfs/dbraw/zinc/28/61/98/946286198.db2.gz FXXGIBLVWYGURF-LBPRGKRZSA-N -1 3 391.384 0.056 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CN(C)c2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573489159 946287213 /nfs/dbraw/zinc/28/72/13/946287213.db2.gz ZODBITZTPHHENY-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CN(C)c2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573489159 946287226 /nfs/dbraw/zinc/28/72/26/946287226.db2.gz ZODBITZTPHHENY-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2)[C@H]1CC1(F)F ZINC001571301976 946287538 /nfs/dbraw/zinc/28/75/38/946287538.db2.gz KLDRWVQCQPOCOY-IEVXNVSRSA-N -1 3 391.382 0.961 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2)[C@H]1CC1(F)F ZINC001571301976 946287544 /nfs/dbraw/zinc/28/75/44/946287544.db2.gz KLDRWVQCQPOCOY-IEVXNVSRSA-N -1 3 391.382 0.961 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2ncccc2-c2nnn[n-]2)CCCCC1 ZINC001573489148 946288064 /nfs/dbraw/zinc/28/80/64/946288064.db2.gz ZCIGDQGWZWDDRJ-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2ncccc2-c2nn[n-]n2)CCCCC1 ZINC001573489148 946288074 /nfs/dbraw/zinc/28/80/74/946288074.db2.gz ZCIGDQGWZWDDRJ-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1ccnc2c1CC(=O)N2 ZINC001571301924 946288474 /nfs/dbraw/zinc/28/84/74/946288474.db2.gz IAOHJSFLRMXGFS-NSHDSACASA-N -1 3 391.395 0.160 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1ccnc2c1CC(=O)N2 ZINC001571301924 946288480 /nfs/dbraw/zinc/28/84/80/946288480.db2.gz IAOHJSFLRMXGFS-NSHDSACASA-N -1 3 391.395 0.160 20 0 GCADHM CC(=O)NC1CCC(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573491938 946290433 /nfs/dbraw/zinc/29/04/33/946290433.db2.gz BFQLFUMFOULYKD-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC1CCC(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573491938 946290441 /nfs/dbraw/zinc/29/04/41/946290441.db2.gz BFQLFUMFOULYKD-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)[C@H]1COCCO1 ZINC001571302133 946291833 /nfs/dbraw/zinc/29/18/33/946291833.db2.gz PHMRXANJSCDBHX-GXTWGEPZSA-N -1 3 391.407 0.291 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)[C@H]1COCCO1 ZINC001571302133 946291842 /nfs/dbraw/zinc/29/18/42/946291842.db2.gz PHMRXANJSCDBHX-GXTWGEPZSA-N -1 3 391.407 0.291 20 0 GCADHM COc1cc(NC(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)c(F)cc1-c1nnn[n-]1 ZINC001571302130 946292585 /nfs/dbraw/zinc/29/25/85/946292585.db2.gz PFNVDDFDVZGMPL-QPUJVOFHSA-N -1 3 391.363 0.977 20 0 GCADHM COc1cc(NC(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)c(F)cc1-c1nn[n-]n1 ZINC001571302130 946292591 /nfs/dbraw/zinc/29/25/91/946292591.db2.gz PFNVDDFDVZGMPL-QPUJVOFHSA-N -1 3 391.363 0.977 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571302177 946295785 /nfs/dbraw/zinc/29/57/85/946295785.db2.gz QKTBSOHYULSMAV-DNJQJEMRSA-N -1 3 391.382 0.817 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571302177 946295790 /nfs/dbraw/zinc/29/57/90/946295790.db2.gz QKTBSOHYULSMAV-DNJQJEMRSA-N -1 3 391.382 0.817 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2COCC[C@H]2O)cc1-c1nnn[n-]1 ZINC001571302277 946296659 /nfs/dbraw/zinc/29/66/59/946296659.db2.gz SWGUZZGLIYNFJD-CHWSQXEVSA-N -1 3 391.388 0.706 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2COCC[C@H]2O)cc1-c1nn[n-]n1 ZINC001571302277 946296666 /nfs/dbraw/zinc/29/66/66/946296666.db2.gz SWGUZZGLIYNFJD-CHWSQXEVSA-N -1 3 391.388 0.706 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)C1CCC(F)CC1 ZINC001571302265 946297460 /nfs/dbraw/zinc/29/74/60/946297460.db2.gz SNBYBZAWPOJKDA-NZPNUOCISA-N -1 3 391.407 0.025 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)C1CCC(F)CC1 ZINC001571302265 946297471 /nfs/dbraw/zinc/29/74/71/946297471.db2.gz SNBYBZAWPOJKDA-NZPNUOCISA-N -1 3 391.407 0.025 20 0 GCADHM O=C(N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)c1csc(=O)[nH]1 ZINC001571302433 946303001 /nfs/dbraw/zinc/30/30/01/946303001.db2.gz XSCKIQABPYMQJS-LDYMZIIASA-N -1 3 391.388 0.147 20 0 GCADHM O=C(N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)c1csc(=O)[nH]1 ZINC001571302433 946303009 /nfs/dbraw/zinc/30/30/09/946303009.db2.gz XSCKIQABPYMQJS-LDYMZIIASA-N -1 3 391.388 0.147 20 0 GCADHM O=C([C@@H]1CCc2ncncc2C1)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571302609 946307910 /nfs/dbraw/zinc/30/79/10/946307910.db2.gz CQRYLYMDYCPHNH-TZMCWYRMSA-N -1 3 391.439 0.870 20 0 GCADHM O=C([C@@H]1CCc2ncncc2C1)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571302609 946307919 /nfs/dbraw/zinc/30/79/19/946307919.db2.gz CQRYLYMDYCPHNH-TZMCWYRMSA-N -1 3 391.439 0.870 20 0 GCADHM O=C(c1cccnc1)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571302752 946314095 /nfs/dbraw/zinc/31/40/95/946314095.db2.gz BFMKLOIMVXPNHM-UHFFFAOYSA-N -1 3 391.435 0.989 20 0 GCADHM O=C(c1cccnc1)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571302752 946314110 /nfs/dbraw/zinc/31/41/10/946314110.db2.gz BFMKLOIMVXPNHM-UHFFFAOYSA-N -1 3 391.435 0.989 20 0 GCADHM O=C([C@@H]1CCn2ccnc2C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571303048 946323925 /nfs/dbraw/zinc/32/39/25/946323925.db2.gz JZLQPHCWWQGRKO-SNPRPXQTSA-N -1 3 391.439 0.510 20 0 GCADHM O=C([C@@H]1CCn2ccnc2C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571303048 946323934 /nfs/dbraw/zinc/32/39/34/946323934.db2.gz JZLQPHCWWQGRKO-SNPRPXQTSA-N -1 3 391.439 0.510 20 0 GCADHM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823150225 946331601 /nfs/dbraw/zinc/33/16/01/946331601.db2.gz MKVNRXMOHJCZFH-QMMMGPOBSA-N -1 3 389.725 0.808 20 0 GCADHM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823150225 946331611 /nfs/dbraw/zinc/33/16/11/946331611.db2.gz MKVNRXMOHJCZFH-QMMMGPOBSA-N -1 3 389.725 0.808 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)c1cn2c(n1)CCCC2 ZINC001571303390 946333605 /nfs/dbraw/zinc/33/36/05/946333605.db2.gz PTRVVAMIBGSGRF-VIKVFOODSA-N -1 3 391.439 0.659 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)c1cn2c(n1)CCCC2 ZINC001571303390 946333621 /nfs/dbraw/zinc/33/36/21/946333621.db2.gz PTRVVAMIBGSGRF-VIKVFOODSA-N -1 3 391.439 0.659 20 0 GCADHM O=C(CCc1ccncn1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571303373 946335217 /nfs/dbraw/zinc/33/52/17/946335217.db2.gz PMCFPHIMWXUSSB-OKILXGFUSA-N -1 3 391.439 0.579 20 0 GCADHM O=C(CCc1ccncn1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571303373 946335227 /nfs/dbraw/zinc/33/52/27/946335227.db2.gz PMCFPHIMWXUSSB-OKILXGFUSA-N -1 3 391.439 0.579 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)c1cc(C2CC2)n[nH]1 ZINC001571303421 946336316 /nfs/dbraw/zinc/33/63/16/946336316.db2.gz QKXXYRUMSRTOQH-ZSOGYDGISA-N -1 3 391.439 0.974 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)c1cc(C2CC2)n[nH]1 ZINC001571303421 946336323 /nfs/dbraw/zinc/33/63/23/946336323.db2.gz QKXXYRUMSRTOQH-ZSOGYDGISA-N -1 3 391.439 0.974 20 0 GCADHM O=C(NCCCN1CCOC1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823191060 946340197 /nfs/dbraw/zinc/34/01/97/946340197.db2.gz HVFWWPJCGBUZIK-UHFFFAOYSA-N -1 3 375.389 0.387 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000823210928 946344614 /nfs/dbraw/zinc/34/46/14/946344614.db2.gz HSRHLLKNIGXUSU-CQSZACIVSA-N -1 3 386.334 0.954 20 0 GCADHM CC(=O)N[C@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC001573497215 946346100 /nfs/dbraw/zinc/34/61/00/946346100.db2.gz NVOXIVLQRXUXQC-ZDUSSCGKSA-N -1 3 385.428 0.713 20 0 GCADHM CC(=O)N[C@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC001573497215 946346110 /nfs/dbraw/zinc/34/61/10/946346110.db2.gz NVOXIVLQRXUXQC-ZDUSSCGKSA-N -1 3 385.428 0.713 20 0 GCADHM CC(=O)N[C@@H]1CCN(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC001573497502 946349536 /nfs/dbraw/zinc/34/95/36/946349536.db2.gz RMKOTJQBJBADAV-OAHLLOKOSA-N -1 3 395.427 0.854 20 0 GCADHM CC(=O)N[C@@H]1CCN(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC001573497502 946349547 /nfs/dbraw/zinc/34/95/47/946349547.db2.gz RMKOTJQBJBADAV-OAHLLOKOSA-N -1 3 395.427 0.854 20 0 GCADHM CC(=O)NCC(=O)N(C)C1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573497582 946350898 /nfs/dbraw/zinc/35/08/98/946350898.db2.gz SPCDDVLZHZHNDJ-UHFFFAOYSA-N -1 3 378.462 0.195 20 0 GCADHM CNC(=O)c1cccc(C(=O)NC2CN(Cc3ccccc3-c3nnn[n-]3)C2)c1 ZINC001571304104 946358477 /nfs/dbraw/zinc/35/84/77/946358477.db2.gz YBFQQSMNOOIZAV-UHFFFAOYSA-N -1 3 391.435 0.841 20 0 GCADHM CNC(=O)c1cccc(C(=O)NC2CN(Cc3ccccc3-c3nn[n-]n3)C2)c1 ZINC001571304104 946358486 /nfs/dbraw/zinc/35/84/86/946358486.db2.gz YBFQQSMNOOIZAV-UHFFFAOYSA-N -1 3 391.435 0.841 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 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BQLQRXJBBJQECE-SNVBAGLBSA-N -1 3 378.462 0.417 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C(C)(C)C1 ZINC001573498961 946367551 /nfs/dbraw/zinc/36/75/51/946367551.db2.gz BQLQRXJBBJQECE-JTQLQIEISA-N -1 3 378.462 0.417 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001571305561 946368179 /nfs/dbraw/zinc/36/81/79/946368179.db2.gz FFSYTRSDIHJLNV-GFCCVEGCSA-N -1 3 391.819 0.937 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001571305561 946368185 /nfs/dbraw/zinc/36/81/85/946368185.db2.gz FFSYTRSDIHJLNV-GFCCVEGCSA-N -1 3 391.819 0.937 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573500450 946374186 /nfs/dbraw/zinc/37/41/86/946374186.db2.gz JUAQYTIOTDDYTQ-AWEZNQCLSA-N -1 3 375.408 0.175 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571305900 946379291 /nfs/dbraw/zinc/37/92/91/946379291.db2.gz CYVGHNFSHFESTF-VLEAKVRGSA-N -1 3 391.457 0.747 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573501415 946380748 /nfs/dbraw/zinc/38/07/48/946380748.db2.gz OOMZEMHHJWJFBV-PELKAZGASA-N -1 3 378.824 0.310 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573501415 946380756 /nfs/dbraw/zinc/38/07/56/946380756.db2.gz OOMZEMHHJWJFBV-PELKAZGASA-N -1 3 378.824 0.310 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571305977 946382151 /nfs/dbraw/zinc/38/21/51/946382151.db2.gz NHBNAEVUJWOBCI-LLVKDONJSA-N -1 3 391.798 0.646 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571305977 946382160 /nfs/dbraw/zinc/38/21/60/946382160.db2.gz NHBNAEVUJWOBCI-LLVKDONJSA-N -1 3 391.798 0.646 20 0 GCADHM Cc1cscc1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1O ZINC001571306053 946386243 /nfs/dbraw/zinc/38/62/43/946386243.db2.gz OPEQWGRETVPDPW-GHMZBOCLSA-N -1 3 391.482 0.981 20 0 GCADHM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571306117 946387008 /nfs/dbraw/zinc/38/70/08/946387008.db2.gz GYFQZYWHYDDCDN-UHFFFAOYSA-N -1 3 391.450 0.497 20 0 GCADHM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571306117 946387017 /nfs/dbraw/zinc/38/70/17/946387017.db2.gz GYFQZYWHYDDCDN-UHFFFAOYSA-N -1 3 391.450 0.497 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573503538 946389499 /nfs/dbraw/zinc/38/94/99/946389499.db2.gz AAXJIUKESDGHFG-FZMZJTMJSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573503538 946389507 /nfs/dbraw/zinc/38/95/07/946389507.db2.gz AAXJIUKESDGHFG-FZMZJTMJSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573503670 946395377 /nfs/dbraw/zinc/39/53/77/946395377.db2.gz BQTOPHVEQZHZOK-BXKDBHETSA-N -1 3 392.489 0.664 20 0 GCADHM O=C(C[C@H]1CCCS1(=O)=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571306446 946400790 /nfs/dbraw/zinc/40/07/90/946400790.db2.gz KXCVBGIGHHARBI-NWDGAFQWSA-N -1 3 391.457 0.242 20 0 GCADHM O=C(C[C@H]1CCCS1(=O)=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571306446 946400793 /nfs/dbraw/zinc/40/07/93/946400793.db2.gz KXCVBGIGHHARBI-NWDGAFQWSA-N -1 3 391.457 0.242 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571306560 946404418 /nfs/dbraw/zinc/40/44/18/946404418.db2.gz XJRMYQPNGKOIJT-GWOFURMSSA-N -1 3 391.819 0.783 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571306560 946404423 /nfs/dbraw/zinc/40/44/23/946404423.db2.gz XJRMYQPNGKOIJT-GWOFURMSSA-N -1 3 391.819 0.783 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573504146 946406056 /nfs/dbraw/zinc/40/60/56/946406056.db2.gz GMKNCQCRGOKIRQ-JQWIXIFHSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573504146 946406058 /nfs/dbraw/zinc/40/60/58/946406058.db2.gz GMKNCQCRGOKIRQ-JQWIXIFHSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573504148 946406113 /nfs/dbraw/zinc/40/61/13/946406113.db2.gz GMKNCQCRGOKIRQ-ZYHUDNBSSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573504148 946406119 /nfs/dbraw/zinc/40/61/19/946406119.db2.gz GMKNCQCRGOKIRQ-ZYHUDNBSSA-N -1 3 375.408 0.791 20 0 GCADHM O=C(CC1CS(=O)(=O)C1)N1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571306752 946409852 /nfs/dbraw/zinc/40/98/52/946409852.db2.gz OWAVFNIQHCKXAF-GFCCVEGCSA-N -1 3 391.457 0.099 20 0 GCADHM O=C(CC1CS(=O)(=O)C1)N1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571306752 946409857 /nfs/dbraw/zinc/40/98/57/946409857.db2.gz OWAVFNIQHCKXAF-GFCCVEGCSA-N -1 3 391.457 0.099 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504317 946410288 /nfs/dbraw/zinc/41/02/88/946410288.db2.gz GZXOTXXIMYFIJL-GFCCVEGCSA-N -1 3 390.423 0.578 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504317 946410296 /nfs/dbraw/zinc/41/02/96/946410296.db2.gz GZXOTXXIMYFIJL-GFCCVEGCSA-N -1 3 390.423 0.578 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573504529 946410751 /nfs/dbraw/zinc/41/07/51/946410751.db2.gz HGQGHKXOAROICH-SMDDNHRTSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573504529 946410756 /nfs/dbraw/zinc/41/07/56/946410756.db2.gz HGQGHKXOAROICH-SMDDNHRTSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504319 946410808 /nfs/dbraw/zinc/41/08/08/946410808.db2.gz GZXOTXXIMYFIJL-LBPRGKRZSA-N -1 3 390.423 0.578 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504319 946410811 /nfs/dbraw/zinc/41/08/11/946410811.db2.gz GZXOTXXIMYFIJL-LBPRGKRZSA-N -1 3 390.423 0.578 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C1CS(=O)(=O)C1 ZINC001571306813 946411661 /nfs/dbraw/zinc/41/16/61/946411661.db2.gz QQVRRWUKQMIHKH-GXFFZTMASA-N -1 3 391.457 0.003 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C1CS(=O)(=O)C1 ZINC001571306813 946411670 /nfs/dbraw/zinc/41/16/70/946411670.db2.gz QQVRRWUKQMIHKH-GXFFZTMASA-N -1 3 391.457 0.003 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H](C)C1 ZINC001573504670 946412221 /nfs/dbraw/zinc/41/22/21/946412221.db2.gz IKDCJOJRBCMDEC-TVQRCGJNSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)[C@@H](C)C1 ZINC001573504670 946412229 /nfs/dbraw/zinc/41/22/29/946412229.db2.gz IKDCJOJRBCMDEC-TVQRCGJNSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504803 946414376 /nfs/dbraw/zinc/41/43/76/946414376.db2.gz KLEQTPOBMINTNM-GXFFZTMASA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504803 946414388 /nfs/dbraw/zinc/41/43/88/946414388.db2.gz KLEQTPOBMINTNM-GXFFZTMASA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504766 946415322 /nfs/dbraw/zinc/41/53/22/946415322.db2.gz JLJUWDIMSQGKAQ-MWLCHTKSSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504766 946415328 /nfs/dbraw/zinc/41/53/28/946415328.db2.gz JLJUWDIMSQGKAQ-MWLCHTKSSA-N -1 3 376.396 0.186 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001571307044 946416302 /nfs/dbraw/zinc/41/63/02/946416302.db2.gz UYQKKZPPBGGPGH-WDEREUQCSA-N -1 3 391.457 0.479 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001571307041 946416712 /nfs/dbraw/zinc/41/67/12/946416712.db2.gz UYQKKZPPBGGPGH-GHMZBOCLSA-N -1 3 391.457 0.479 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001573505060 946417007 /nfs/dbraw/zinc/41/70/07/946417007.db2.gz IRZYUQXVXRRNDM-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001573505060 946417017 /nfs/dbraw/zinc/41/70/17/946417017.db2.gz IRZYUQXVXRRNDM-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCN(CN2C[C@H](O)CC2=O)CC1 ZINC000823359452 946417417 /nfs/dbraw/zinc/41/74/17/946417417.db2.gz OPDHWQFBWFIZDY-OAHLLOKOSA-N -1 3 385.428 0.068 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCN(CN2C[C@H](O)CC2=O)CC1 ZINC000823359452 946417425 /nfs/dbraw/zinc/41/74/25/946417425.db2.gz OPDHWQFBWFIZDY-OAHLLOKOSA-N -1 3 385.428 0.068 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCN(CN2C[C@@H](O)CC2=O)CC1 ZINC000823359451 946417758 /nfs/dbraw/zinc/41/77/58/946417758.db2.gz OPDHWQFBWFIZDY-HNNXBMFYSA-N -1 3 385.428 0.068 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCN(CN2C[C@@H](O)CC2=O)CC1 ZINC000823359451 946417764 /nfs/dbraw/zinc/41/77/64/946417764.db2.gz OPDHWQFBWFIZDY-HNNXBMFYSA-N -1 3 385.428 0.068 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573505629 946423819 /nfs/dbraw/zinc/42/38/19/946423819.db2.gz MDMLFAAGWDUKEB-ABAIWWIYSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573505629 946423826 /nfs/dbraw/zinc/42/38/26/946423826.db2.gz MDMLFAAGWDUKEB-ABAIWWIYSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573505818 946424211 /nfs/dbraw/zinc/42/42/11/946424211.db2.gz OMVJXBFZTUJVPZ-BETUJISGSA-N -1 3 387.419 0.712 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573505818 946424215 /nfs/dbraw/zinc/42/42/15/946424215.db2.gz OMVJXBFZTUJVPZ-BETUJISGSA-N -1 3 387.419 0.712 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CCNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573506051 946428040 /nfs/dbraw/zinc/42/80/40/946428040.db2.gz ORSQWEXCIKCZLO-LBPRGKRZSA-N -1 3 392.489 0.808 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CCNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573506307 946431137 /nfs/dbraw/zinc/43/11/37/946431137.db2.gz QRCKBCZXAMYZOP-GFCCVEGCSA-N -1 3 375.408 0.792 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CCNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573506307 946431144 /nfs/dbraw/zinc/43/11/44/946431144.db2.gz QRCKBCZXAMYZOP-GFCCVEGCSA-N -1 3 375.408 0.792 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC([C@@H](F)C(N)=O)CC1 ZINC001571308114 946431338 /nfs/dbraw/zinc/43/13/38/946431338.db2.gz NDGYIOGMIYWKOE-OAHLLOKOSA-N -1 3 392.391 0.316 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC([C@@H](F)C(N)=O)CC1 ZINC001571308114 946431342 /nfs/dbraw/zinc/43/13/42/946431342.db2.gz NDGYIOGMIYWKOE-OAHLLOKOSA-N -1 3 392.391 0.316 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)[C@@H](C)C1 ZINC001573506867 946439563 /nfs/dbraw/zinc/43/95/63/946439563.db2.gz VAZGNYYYTGDUFT-FZMZJTMJSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)[C@@H](C)C1 ZINC001573506867 946439573 /nfs/dbraw/zinc/43/95/73/946439573.db2.gz VAZGNYYYTGDUFT-FZMZJTMJSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573507065 946440578 /nfs/dbraw/zinc/44/05/78/946440578.db2.gz WLVRTSXYBFEUJX-KOLCDFICSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573507065 946440586 /nfs/dbraw/zinc/44/05/86/946440586.db2.gz WLVRTSXYBFEUJX-KOLCDFICSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573507069 946440627 /nfs/dbraw/zinc/44/06/27/946440627.db2.gz WLVRTSXYBFEUJX-MWLCHTKSSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573507069 946440636 /nfs/dbraw/zinc/44/06/36/946440636.db2.gz WLVRTSXYBFEUJX-MWLCHTKSSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573507062 946440696 /nfs/dbraw/zinc/44/06/96/946440696.db2.gz WLVRTSXYBFEUJX-GXSJLCMTSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573507062 946440703 /nfs/dbraw/zinc/44/07/03/946440703.db2.gz WLVRTSXYBFEUJX-GXSJLCMTSA-N -1 3 392.851 0.700 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)ccn1 ZINC001571309561 946447569 /nfs/dbraw/zinc/44/75/69/946447569.db2.gz DFJSTDNQPJRAIW-CZUORRHYSA-N -1 3 392.423 0.885 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)ccn1 ZINC001571309561 946447575 /nfs/dbraw/zinc/44/75/75/946447575.db2.gz DFJSTDNQPJRAIW-CZUORRHYSA-N -1 3 392.423 0.885 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1 ZINC001571309617 946448530 /nfs/dbraw/zinc/44/85/30/946448530.db2.gz FTYGTDPAUXCPOX-UHFFFAOYSA-N -1 3 392.423 0.713 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1 ZINC001571309617 946448537 /nfs/dbraw/zinc/44/85/37/946448537.db2.gz FTYGTDPAUXCPOX-UHFFFAOYSA-N -1 3 392.423 0.713 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573507671 946449378 /nfs/dbraw/zinc/44/93/78/946449378.db2.gz WJRPYXGGHOBATI-WBMJQRKESA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573507671 946449384 /nfs/dbraw/zinc/44/93/84/946449384.db2.gz WJRPYXGGHOBATI-WBMJQRKESA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC001573507695 946451067 /nfs/dbraw/zinc/45/10/67/946451067.db2.gz WWSRYGYVIYPINA-JQWIXIFHSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573507695 946451080 /nfs/dbraw/zinc/45/10/80/946451080.db2.gz WWSRYGYVIYPINA-JQWIXIFHSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573507696 946451178 /nfs/dbraw/zinc/45/11/78/946451178.db2.gz WWSRYGYVIYPINA-PWSUYJOCSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573507696 946451187 /nfs/dbraw/zinc/45/11/87/946451187.db2.gz WWSRYGYVIYPINA-PWSUYJOCSA-N -1 3 375.408 0.933 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2(c3cccnc3)CC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571309645 946451406 /nfs/dbraw/zinc/45/14/06/946451406.db2.gz GOMBPTHOVKLDNO-CQSZACIVSA-N -1 3 392.423 0.652 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2(c3cccnc3)CC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571309645 946451410 /nfs/dbraw/zinc/45/14/10/946451410.db2.gz GOMBPTHOVKLDNO-CQSZACIVSA-N -1 3 392.423 0.652 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823600423 946451748 /nfs/dbraw/zinc/45/17/48/946451748.db2.gz HSEQTAANOZKBJW-GFCCVEGCSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823600423 946451758 /nfs/dbraw/zinc/45/17/58/946451758.db2.gz HSEQTAANOZKBJW-GFCCVEGCSA-N -1 3 396.448 0.349 20 0 GCADHM CNC(=O)c1cccc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571309728 946453110 /nfs/dbraw/zinc/45/31/10/946453110.db2.gz IQYPTYOSMIPGDB-AWEZNQCLSA-N -1 3 392.423 0.630 20 0 GCADHM CNC(=O)c1cccc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571309728 946453118 /nfs/dbraw/zinc/45/31/18/946453118.db2.gz IQYPTYOSMIPGDB-AWEZNQCLSA-N -1 3 392.423 0.630 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001573507748 946453393 /nfs/dbraw/zinc/45/33/93/946453393.db2.gz XUFCUDAWTFCVNC-SWLSCSKDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001573507748 946453403 /nfs/dbraw/zinc/45/34/03/946453403.db2.gz XUFCUDAWTFCVNC-SWLSCSKDSA-N -1 3 386.460 0.827 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571309838 946454718 /nfs/dbraw/zinc/45/47/18/946454718.db2.gz MGWVJFIAPUIAOM-BLLLJJGKSA-N -1 3 392.423 0.311 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571309838 946454723 /nfs/dbraw/zinc/45/47/23/946454723.db2.gz MGWVJFIAPUIAOM-BLLLJJGKSA-N -1 3 392.423 0.311 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573508243 946455761 /nfs/dbraw/zinc/45/57/61/946455761.db2.gz YTHAPGMDKGBITK-SKDRFNHKSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573508909 946455840 /nfs/dbraw/zinc/45/58/40/946455840.db2.gz ASSJSSDBKVXZBK-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573508909 946455846 /nfs/dbraw/zinc/45/58/46/946455846.db2.gz ASSJSSDBKVXZBK-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM O=C(Cc1cccnc1)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571309883 946457947 /nfs/dbraw/zinc/45/79/47/946457947.db2.gz NYHTUAQDNUVBGI-XJKSGUPXSA-N -1 3 392.423 0.505 20 0 GCADHM O=C(Cc1cccnc1)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571309883 946457952 /nfs/dbraw/zinc/45/79/52/946457952.db2.gz NYHTUAQDNUVBGI-XJKSGUPXSA-N -1 3 392.423 0.505 20 0 GCADHM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571310014 946459342 /nfs/dbraw/zinc/45/93/42/946459342.db2.gz RYMXDNQYBHOHNX-LLVKDONJSA-N -1 3 392.420 0.611 20 0 GCADHM CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571310014 946459349 /nfs/dbraw/zinc/45/93/49/946459349.db2.gz RYMXDNQYBHOHNX-LLVKDONJSA-N -1 3 392.420 0.611 20 0 GCADHM O=C(NC1CN([C@@H]2CCN(c3ccccc3)C2=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571310025 946459575 /nfs/dbraw/zinc/45/95/75/946459575.db2.gz SDNVXFXVHHWVRQ-MRXNPFEDSA-N -1 3 392.423 0.414 20 0 GCADHM O=C(NC1CN([C@@H]2CCN(c3ccccc3)C2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571310025 946459580 /nfs/dbraw/zinc/45/95/80/946459580.db2.gz SDNVXFXVHHWVRQ-MRXNPFEDSA-N -1 3 392.423 0.414 20 0 GCADHM COCc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001571309964 946460213 /nfs/dbraw/zinc/46/02/13/946460213.db2.gz QRWZJUPBEYLNTL-HOTGVXAUSA-N -1 3 392.423 0.906 20 0 GCADHM COCc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001571309964 946460222 /nfs/dbraw/zinc/46/02/22/946460222.db2.gz QRWZJUPBEYLNTL-HOTGVXAUSA-N -1 3 392.423 0.906 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nnn[n-]2)ccc1=O ZINC001571310060 946462360 /nfs/dbraw/zinc/46/23/60/946462360.db2.gz UBYYUPLOPXJTDA-YUELXQCFSA-N -1 3 392.423 0.500 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nn[n-]n2)ccc1=O ZINC001571310060 946462367 /nfs/dbraw/zinc/46/23/67/946462367.db2.gz UBYYUPLOPXJTDA-YUELXQCFSA-N -1 3 392.423 0.500 20 0 GCADHM CC(=O)NCC(=O)N1CCCO[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573509591 946464896 /nfs/dbraw/zinc/46/48/96/946464896.db2.gz OJUZRSNWLKOTLT-GFCCVEGCSA-N -1 3 391.407 0.171 20 0 GCADHM CC(=O)NCC(=O)N1CCCO[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573509591 946464903 /nfs/dbraw/zinc/46/49/03/946464903.db2.gz OJUZRSNWLKOTLT-GFCCVEGCSA-N -1 3 391.407 0.171 20 0 GCADHM Cc1cccnc1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571310219 946466071 /nfs/dbraw/zinc/46/60/71/946466071.db2.gz YRJFOEHOEUFPOK-IUODEOHRSA-N -1 3 392.423 0.885 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573509774 946466102 /nfs/dbraw/zinc/46/61/02/946466102.db2.gz QXUWULIETSTIMX-LLVKDONJSA-N -1 3 378.462 0.561 20 0 GCADHM Cc1cccnc1C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571310219 946466081 /nfs/dbraw/zinc/46/60/81/946466081.db2.gz YRJFOEHOEUFPOK-IUODEOHRSA-N -1 3 392.423 0.885 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573510062 946469739 /nfs/dbraw/zinc/46/97/39/946469739.db2.gz XOVGGFPLRGSBDS-ZDUSSCGKSA-N -1 3 390.423 0.720 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573510062 946469743 /nfs/dbraw/zinc/46/97/43/946469743.db2.gz XOVGGFPLRGSBDS-ZDUSSCGKSA-N -1 3 390.423 0.720 20 0 GCADHM Cc1nsc(NCC2CCN(C(=O)[C@H]3COC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571310562 946476265 /nfs/dbraw/zinc/47/62/65/946476265.db2.gz JADDOUGHDPCEGY-SNVBAGLBSA-N -1 3 392.445 0.391 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001571311020 946481386 /nfs/dbraw/zinc/48/13/86/946481386.db2.gz PZJDMMNMXAGVNS-LBPRGKRZSA-N -1 3 392.441 0.679 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC001571311020 946481392 /nfs/dbraw/zinc/48/13/92/946481392.db2.gz PZJDMMNMXAGVNS-LBPRGKRZSA-N -1 3 392.441 0.679 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573511025 946481687 /nfs/dbraw/zinc/48/16/87/946481687.db2.gz LVIFYPKABDURFP-TZMCWYRMSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573511025 946481693 /nfs/dbraw/zinc/48/16/93/946481693.db2.gz LVIFYPKABDURFP-TZMCWYRMSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1snc(C)c1-c1nnn[n-]1)C1CCCC1 ZINC001573511135 946482983 /nfs/dbraw/zinc/48/29/83/946482983.db2.gz NDLSGTFJPCTJQC-GFCCVEGCSA-N -1 3 392.489 0.855 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573511413 946485595 /nfs/dbraw/zinc/48/55/95/946485595.db2.gz PMWKDJJUSCKIAU-KSSFIOAISA-N -1 3 384.444 0.438 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573511413 946485603 /nfs/dbraw/zinc/48/56/03/946485603.db2.gz PMWKDJJUSCKIAU-KSSFIOAISA-N -1 3 384.444 0.438 20 0 GCADHM CC(=O)NCC(=O)NC1(C)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573511495 946486734 /nfs/dbraw/zinc/48/67/34/946486734.db2.gz ATOPHAZSLAHBPR-UHFFFAOYSA-N -1 3 392.851 0.526 20 0 GCADHM CC(=O)NCC(=O)NC1(C)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573511495 946486738 /nfs/dbraw/zinc/48/67/38/946486738.db2.gz ATOPHAZSLAHBPR-UHFFFAOYSA-N -1 3 392.851 0.526 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573511835 946492197 /nfs/dbraw/zinc/49/21/97/946492197.db2.gz SSCJXFOIWCSQBY-BXKDBHETSA-N -1 3 392.489 0.664 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512009 946493582 /nfs/dbraw/zinc/49/35/82/946493582.db2.gz DDKWQSLNAOKLDB-ZYHUDNBSSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512009 946493589 /nfs/dbraw/zinc/49/35/89/946493589.db2.gz DDKWQSLNAOKLDB-ZYHUDNBSSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC001573512416 946498672 /nfs/dbraw/zinc/49/86/72/946498672.db2.gz FRVFDWGFVCAPQD-UONOGXRCSA-N -1 3 387.419 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC001573512416 946498679 /nfs/dbraw/zinc/49/86/79/946498679.db2.gz FRVFDWGFVCAPQD-UONOGXRCSA-N -1 3 387.419 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC001573512694 946502981 /nfs/dbraw/zinc/50/29/81/946502981.db2.gz ZPUZMIWGRDBDRJ-CQSZACIVSA-N -1 3 390.423 0.624 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC001573512694 946502986 /nfs/dbraw/zinc/50/29/86/946502986.db2.gz ZPUZMIWGRDBDRJ-CQSZACIVSA-N -1 3 390.423 0.624 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512799 946505018 /nfs/dbraw/zinc/50/50/18/946505018.db2.gz HWQKOXMQWRNADU-VXGBXAGGSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512799 946505025 /nfs/dbraw/zinc/50/50/25/946505025.db2.gz HWQKOXMQWRNADU-VXGBXAGGSA-N -1 3 375.408 0.981 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1 ZINC001571313310 946518678 /nfs/dbraw/zinc/51/86/78/946518678.db2.gz PQYQPHZRFUIROR-ZDUSSCGKSA-N -1 3 392.423 0.289 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(C(=O)[C@H]2Cc3cccnc3C2)CC1 ZINC001571313310 946518691 /nfs/dbraw/zinc/51/86/91/946518691.db2.gz PQYQPHZRFUIROR-ZDUSSCGKSA-N -1 3 392.423 0.289 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573514270 946522323 /nfs/dbraw/zinc/52/23/23/946522323.db2.gz WBZDQTSCPXCIPL-CABZTGNLSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573514270 946522329 /nfs/dbraw/zinc/52/23/29/946522329.db2.gz WBZDQTSCPXCIPL-CABZTGNLSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573514253 946523343 /nfs/dbraw/zinc/52/33/43/946523343.db2.gz VVERAQMIMSYXIH-CQSZACIVSA-N -1 3 375.408 0.223 20 0 GCADHM CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823966814 946528123 /nfs/dbraw/zinc/52/81/23/946528123.db2.gz AXFFEABGJXJQFW-SNVBAGLBSA-N -1 3 387.368 0.514 20 0 GCADHM CC(=O)C[C@@H]1COCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823966814 946528136 /nfs/dbraw/zinc/52/81/36/946528136.db2.gz AXFFEABGJXJQFW-SNVBAGLBSA-N -1 3 387.368 0.514 20 0 GCADHM CC(=O)N[C@@H]1CCCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000823989434 946535599 /nfs/dbraw/zinc/53/55/99/946535599.db2.gz XYXWDERRMMKZLO-WBVHZDCISA-N -1 3 383.456 0.963 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)[C@H]1C ZINC001573515335 946542427 /nfs/dbraw/zinc/54/24/27/946542427.db2.gz KZVCIPZAFOOLLJ-ONGXEEELSA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCN(c3ncccc3C(N)=O)CC2)c1 ZINC000824013990 946545048 /nfs/dbraw/zinc/54/50/48/946545048.db2.gz AJXNGLCDFSSNIW-UHFFFAOYSA-N -1 3 392.423 0.890 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCN(c3ncccc3C(N)=O)CC2)c1 ZINC000824013990 946545058 /nfs/dbraw/zinc/54/50/58/946545058.db2.gz AJXNGLCDFSSNIW-UHFFFAOYSA-N -1 3 392.423 0.890 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)[C@H]1C ZINC001573515794 946551047 /nfs/dbraw/zinc/55/10/47/946551047.db2.gz RMNUIAGLLPYMSV-TVQRCGJNSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)[C@H]1C ZINC001573515794 946551059 /nfs/dbraw/zinc/55/10/59/946551059.db2.gz RMNUIAGLLPYMSV-TVQRCGJNSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573516944 946561839 /nfs/dbraw/zinc/56/18/39/946561839.db2.gz AIYVWERWJJCZNO-UHFFFAOYSA-N -1 3 376.396 0.378 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573516944 946561849 /nfs/dbraw/zinc/56/18/49/946561849.db2.gz AIYVWERWJJCZNO-UHFFFAOYSA-N -1 3 376.396 0.378 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824045234 946566985 /nfs/dbraw/zinc/56/69/85/946566985.db2.gz JSEOZKISQJDTCQ-RYUDHWBXSA-N -1 3 393.473 0.159 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824045234 946566996 /nfs/dbraw/zinc/56/69/96/946566996.db2.gz JSEOZKISQJDTCQ-RYUDHWBXSA-N -1 3 393.473 0.159 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H](Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573520095 946592790 /nfs/dbraw/zinc/59/27/90/946592790.db2.gz CQHJZKSIQPINAR-LLVKDONJSA-N -1 3 380.478 0.711 20 0 GCADHM CC(C)[C@H](O)C1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000824199364 946615019 /nfs/dbraw/zinc/61/50/19/946615019.db2.gz IPRVXHGQYZPELG-ZDUSSCGKSA-N -1 3 376.392 0.858 20 0 GCADHM CC(C)[C@H](O)C1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824199364 946615023 /nfs/dbraw/zinc/61/50/23/946615023.db2.gz IPRVXHGQYZPELG-ZDUSSCGKSA-N -1 3 376.392 0.858 20 0 GCADHM CC(C)[C@@H](O)C1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000824201004 946618137 /nfs/dbraw/zinc/61/81/37/946618137.db2.gz WBOCUUQCFPAAPC-CYBMUJFWSA-N -1 3 376.392 0.858 20 0 GCADHM CC(C)[C@@H](O)C1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000824201004 946618143 /nfs/dbraw/zinc/61/81/43/946618143.db2.gz WBOCUUQCFPAAPC-CYBMUJFWSA-N -1 3 376.392 0.858 20 0 GCADHM CC(C)[C@H](O)C1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000824201005 946618882 /nfs/dbraw/zinc/61/88/82/946618882.db2.gz WBOCUUQCFPAAPC-ZDUSSCGKSA-N -1 3 376.392 0.858 20 0 GCADHM CC(C)[C@H](O)C1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000824201005 946618889 /nfs/dbraw/zinc/61/88/89/946618889.db2.gz WBOCUUQCFPAAPC-ZDUSSCGKSA-N -1 3 376.392 0.858 20 0 GCADHM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1NC(=O)[C@@H]1COCCO1 ZINC001571317838 946621064 /nfs/dbraw/zinc/62/10/64/946621064.db2.gz WVVWDAZDCHQXSG-JSGCOSHPSA-N -1 3 392.485 0.670 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573522649 946627127 /nfs/dbraw/zinc/62/71/27/946627127.db2.gz HZYQOECKFINRNI-UHFFFAOYSA-N -1 3 385.472 0.672 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573522649 946627131 /nfs/dbraw/zinc/62/71/31/946627131.db2.gz HZYQOECKFINRNI-UHFFFAOYSA-N -1 3 385.472 0.672 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573522706 946627471 /nfs/dbraw/zinc/62/74/71/946627471.db2.gz IRXSOXVXHOSIPG-UHFFFAOYSA-N -1 3 388.476 0.627 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573522706 946627473 /nfs/dbraw/zinc/62/74/73/946627473.db2.gz IRXSOXVXHOSIPG-UHFFFAOYSA-N -1 3 388.476 0.627 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573522462 946628455 /nfs/dbraw/zinc/62/84/55/946628455.db2.gz GOSDBHXTWFNQCQ-GFCCVEGCSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573522462 946628466 /nfs/dbraw/zinc/62/84/66/946628466.db2.gz GOSDBHXTWFNQCQ-GFCCVEGCSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573523152 946634530 /nfs/dbraw/zinc/63/45/30/946634530.db2.gz OXBPQLOESQQODD-RISCZKNCSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573523152 946634538 /nfs/dbraw/zinc/63/45/38/946634538.db2.gz OXBPQLOESQQODD-RISCZKNCSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573523237 946635197 /nfs/dbraw/zinc/63/51/97/946635197.db2.gz PXYLBKMAWAEGIZ-GFCCVEGCSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573523237 946635202 /nfs/dbraw/zinc/63/52/02/946635202.db2.gz PXYLBKMAWAEGIZ-GFCCVEGCSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573527776 946647986 /nfs/dbraw/zinc/64/79/86/946647986.db2.gz HSSSSSDNCJEGDO-CYBMUJFWSA-N -1 3 386.460 0.367 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573527776 946647991 /nfs/dbraw/zinc/64/79/91/946647991.db2.gz HSSSSSDNCJEGDO-CYBMUJFWSA-N -1 3 386.460 0.367 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573527813 946649040 /nfs/dbraw/zinc/64/90/40/946649040.db2.gz IOHAPHLEUZBKPF-ZDUSSCGKSA-N -1 3 386.460 0.367 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573527813 946649048 /nfs/dbraw/zinc/64/90/48/946649048.db2.gz IOHAPHLEUZBKPF-ZDUSSCGKSA-N -1 3 386.460 0.367 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC/C=C\CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573527905 946650776 /nfs/dbraw/zinc/65/07/76/946650776.db2.gz LNCDQSHMDKKKBQ-WAYWQWQTSA-N -1 3 386.460 0.817 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC/C=C\CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573527905 946650782 /nfs/dbraw/zinc/65/07/82/946650782.db2.gz LNCDQSHMDKKKBQ-WAYWQWQTSA-N -1 3 386.460 0.817 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573527963 946652350 /nfs/dbraw/zinc/65/23/50/946652350.db2.gz NJTYLUYUSPLTPO-UHFFFAOYSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573527963 946652357 /nfs/dbraw/zinc/65/23/57/946652357.db2.gz NJTYLUYUSPLTPO-UHFFFAOYSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573527976 946652933 /nfs/dbraw/zinc/65/29/33/946652933.db2.gz NYOQOLUAVZUZPD-MQMHXKEQSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573527976 946652938 /nfs/dbraw/zinc/65/29/38/946652938.db2.gz NYOQOLUAVZUZPD-MQMHXKEQSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)[C@@H]1C ZINC001573527967 946653359 /nfs/dbraw/zinc/65/33/59/946653359.db2.gz NKDJETWEFQCLDJ-RISCZKNCSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)[C@@H]1C ZINC001573527967 946653385 /nfs/dbraw/zinc/65/33/85/946653385.db2.gz NKDJETWEFQCLDJ-RISCZKNCSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573528106 946656877 /nfs/dbraw/zinc/65/68/77/946656877.db2.gz UUIPXPCHTJIIFS-MRVPVSSYSA-N -1 3 380.478 0.711 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573528113 946657774 /nfs/dbraw/zinc/65/77/74/946657774.db2.gz VAPLRNLWMIZAQQ-UHFFFAOYSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573528113 946657782 /nfs/dbraw/zinc/65/77/82/946657782.db2.gz VAPLRNLWMIZAQQ-UHFFFAOYSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC001573528207 946660010 /nfs/dbraw/zinc/66/00/10/946660010.db2.gz YISMLAPXIBBSAA-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC001573528207 946660014 /nfs/dbraw/zinc/66/00/14/946660014.db2.gz YISMLAPXIBBSAA-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCS1(=O)=O ZINC001573529087 946671651 /nfs/dbraw/zinc/67/16/51/946671651.db2.gz JLZSETNLHBBXPL-LLVKDONJSA-N -1 3 382.421 0.135 20 0 GCADHM CC(=O)NCC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCS1(=O)=O ZINC001573529087 946671657 /nfs/dbraw/zinc/67/16/57/946671657.db2.gz JLZSETNLHBBXPL-LLVKDONJSA-N -1 3 382.421 0.135 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1C(F)(F)F ZINC001573529544 946675684 /nfs/dbraw/zinc/67/56/84/946675684.db2.gz NQUPQFIPNKOCCJ-QWRGUYRKSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C(F)(F)F ZINC001573529544 946675692 /nfs/dbraw/zinc/67/56/92/946675692.db2.gz NQUPQFIPNKOCCJ-QWRGUYRKSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CN(C)Cc1ccccc1)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824413289 946695502 /nfs/dbraw/zinc/69/55/02/946695502.db2.gz KIXDRCYWXBZPBA-GFCCVEGCSA-N -1 3 384.444 0.197 20 0 GCADHM CC(=O)NCc1ccc(CNS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001573533409 946714805 /nfs/dbraw/zinc/71/48/05/946714805.db2.gz QFHNSXBIEQSPRG-UHFFFAOYSA-N -1 3 387.425 0.376 20 0 GCADHM CC(=O)NCc1ccc(CNS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001573533409 946714814 /nfs/dbraw/zinc/71/48/14/946714814.db2.gz QFHNSXBIEQSPRG-UHFFFAOYSA-N -1 3 387.425 0.376 20 0 GCADHM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000824465762 946715899 /nfs/dbraw/zinc/71/58/99/946715899.db2.gz RZPCBPIILINLCT-NSHDSACASA-N -1 3 378.396 0.734 20 0 GCADHM C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000824465762 946715914 /nfs/dbraw/zinc/71/59/14/946715914.db2.gz RZPCBPIILINLCT-NSHDSACASA-N -1 3 378.396 0.734 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573535273 946719584 /nfs/dbraw/zinc/71/95/84/946719584.db2.gz AISHXWRIZYENDO-GOEBONIOSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573535273 946719592 /nfs/dbraw/zinc/71/95/92/946719592.db2.gz AISHXWRIZYENDO-GOEBONIOSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573535301 946721202 /nfs/dbraw/zinc/72/12/02/946721202.db2.gz BDZYNGYBMNFPJK-CZUORRHYSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573535301 946721212 /nfs/dbraw/zinc/72/12/12/946721212.db2.gz BDZYNGYBMNFPJK-CZUORRHYSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C(C)C ZINC001573535363 946722075 /nfs/dbraw/zinc/72/20/75/946722075.db2.gz DHOJVGZAQRNJSG-GXTWGEPZSA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C(C)C ZINC001573535363 946722079 /nfs/dbraw/zinc/72/20/79/946722079.db2.gz DHOJVGZAQRNJSG-GXTWGEPZSA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C)C(C)C ZINC001573535305 946722759 /nfs/dbraw/zinc/72/27/59/946722759.db2.gz BFRWTIPRCKYVLC-DIOULYMOSA-N -1 3 386.460 0.506 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C)C(C)C ZINC001573535305 946722772 /nfs/dbraw/zinc/72/27/72/946722772.db2.gz BFRWTIPRCKYVLC-DIOULYMOSA-N -1 3 386.460 0.506 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573535712 946724105 /nfs/dbraw/zinc/72/41/05/946724105.db2.gz HAYKEBRLMKEGLG-QMTHXVAHSA-N -1 3 392.439 0.502 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573535712 946724116 /nfs/dbraw/zinc/72/41/16/946724116.db2.gz HAYKEBRLMKEGLG-QMTHXVAHSA-N -1 3 392.439 0.502 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2n1CCC2 ZINC000824478877 946727119 /nfs/dbraw/zinc/72/71/19/946727119.db2.gz JMBJSRPJSXXFHV-SNVBAGLBSA-N -1 3 381.400 0.012 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2n1CCC2 ZINC000824478877 946727125 /nfs/dbraw/zinc/72/71/25/946727125.db2.gz JMBJSRPJSXXFHV-SNVBAGLBSA-N -1 3 381.400 0.012 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CNc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573536133 946729588 /nfs/dbraw/zinc/72/95/88/946729588.db2.gz PRNPHZDWDANUGL-PRHODGIISA-N -1 3 380.478 0.709 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573536030 946730604 /nfs/dbraw/zinc/73/06/04/946730604.db2.gz OGLFCIXVEFSOAJ-IAQYHMDHSA-N -1 3 388.476 0.895 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573536030 946730617 /nfs/dbraw/zinc/73/06/17/946730617.db2.gz OGLFCIXVEFSOAJ-IAQYHMDHSA-N -1 3 388.476 0.895 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CC1)C(C)C ZINC001573536545 946737749 /nfs/dbraw/zinc/73/77/49/946737749.db2.gz XLWZUKFHQOTSMQ-CQSZACIVSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CC1)C(C)C ZINC001573536545 946737752 /nfs/dbraw/zinc/73/77/52/946737752.db2.gz XLWZUKFHQOTSMQ-CQSZACIVSA-N -1 3 386.460 0.792 20 0 GCADHM C[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824490893 946739517 /nfs/dbraw/zinc/73/95/17/946739517.db2.gz QVHCLXXUJNWSHO-RYUDHWBXSA-N -1 3 393.473 0.603 20 0 GCADHM C[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824490893 946739524 /nfs/dbraw/zinc/73/95/24/946739524.db2.gz QVHCLXXUJNWSHO-RYUDHWBXSA-N -1 3 393.473 0.603 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573536782 946739673 /nfs/dbraw/zinc/73/96/73/946739673.db2.gz DLMBEEWBAUIROX-SWLSCSKDSA-N -1 3 388.476 0.990 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573536782 946739683 /nfs/dbraw/zinc/73/96/83/946739683.db2.gz DLMBEEWBAUIROX-SWLSCSKDSA-N -1 3 388.476 0.990 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536759 946740095 /nfs/dbraw/zinc/74/00/95/946740095.db2.gz CYMUAVXUYJVVNS-QMTHXVAHSA-N -1 3 392.439 0.820 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536759 946740101 /nfs/dbraw/zinc/74/01/01/946740101.db2.gz CYMUAVXUYJVVNS-QMTHXVAHSA-N -1 3 392.439 0.820 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)c1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573536806 946743146 /nfs/dbraw/zinc/74/31/46/946743146.db2.gz FGGXDBSFEVUCPJ-SWLSCSKDSA-N -1 3 388.476 0.672 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)c1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573536806 946743156 /nfs/dbraw/zinc/74/31/56/946743156.db2.gz FGGXDBSFEVUCPJ-SWLSCSKDSA-N -1 3 388.476 0.672 20 0 GCADHM C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)C(N)=O ZINC000824506234 946752493 /nfs/dbraw/zinc/75/24/93/946752493.db2.gz MWSBURPXWXLSLV-SSDOTTSWSA-N -1 3 375.780 0.701 20 0 GCADHM C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)C(N)=O ZINC000824506234 946752497 /nfs/dbraw/zinc/75/24/97/946752497.db2.gz MWSBURPXWXLSLV-SSDOTTSWSA-N -1 3 375.780 0.701 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573537622 946754953 /nfs/dbraw/zinc/75/49/53/946754953.db2.gz HMJDRUXSUWAFOI-AWEZNQCLSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573537622 946754969 /nfs/dbraw/zinc/75/49/69/946754969.db2.gz HMJDRUXSUWAFOI-AWEZNQCLSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1)C(C)C ZINC001573537937 946760843 /nfs/dbraw/zinc/76/08/43/946760843.db2.gz RZSHDYGCDXBOAE-QGZVFWFLSA-N -1 3 385.472 0.672 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1)C(C)C ZINC001573537937 946760846 /nfs/dbraw/zinc/76/08/46/946760846.db2.gz RZSHDYGCDXBOAE-QGZVFWFLSA-N -1 3 385.472 0.672 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCNc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573538059 946762523 /nfs/dbraw/zinc/76/25/23/946762523.db2.gz VHBPXPDTXFFBRM-GFCCVEGCSA-N -1 3 380.478 0.663 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573538443 946768700 /nfs/dbraw/zinc/76/87/00/946768700.db2.gz SZYXZMMXDRNHOC-WBMJQRKESA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573538443 946768720 /nfs/dbraw/zinc/76/87/20/946768720.db2.gz SZYXZMMXDRNHOC-WBMJQRKESA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)C(C)C ZINC001573538577 946771751 /nfs/dbraw/zinc/77/17/51/946771751.db2.gz XKRIZMGPXWTIAJ-GOEBONIOSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)C(C)C ZINC001573538577 946771756 /nfs/dbraw/zinc/77/17/56/946771756.db2.gz XKRIZMGPXWTIAJ-GOEBONIOSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001573540358 946772845 /nfs/dbraw/zinc/77/28/45/946772845.db2.gz AJCNGCXSOYMHAQ-CYBMUJFWSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001573540358 946772848 /nfs/dbraw/zinc/77/28/48/946772848.db2.gz AJCNGCXSOYMHAQ-CYBMUJFWSA-N -1 3 392.439 0.504 20 0 GCADHM C[C@H](NC(N)=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824537230 946772878 /nfs/dbraw/zinc/77/28/78/946772878.db2.gz CHZNXYYLSFYNBA-ZETCQYMHSA-N -1 3 375.780 0.701 20 0 GCADHM C[C@H](NC(N)=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824537230 946772883 /nfs/dbraw/zinc/77/28/83/946772883.db2.gz CHZNXYYLSFYNBA-ZETCQYMHSA-N -1 3 375.780 0.701 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573538662 946773839 /nfs/dbraw/zinc/77/38/39/946773839.db2.gz ZQODVIOKQOYVMU-GOEBONIOSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573538662 946773849 /nfs/dbraw/zinc/77/38/49/946773849.db2.gz ZQODVIOKQOYVMU-GOEBONIOSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573540904 946780495 /nfs/dbraw/zinc/78/04/95/946780495.db2.gz KBKXNFHVIYCTQJ-CQSZACIVSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573540904 946780503 /nfs/dbraw/zinc/78/05/03/946780503.db2.gz KBKXNFHVIYCTQJ-CQSZACIVSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573541353 946785371 /nfs/dbraw/zinc/78/53/71/946785371.db2.gz QIKVYTFGKKPDIN-CQSZACIVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573541353 946785378 /nfs/dbraw/zinc/78/53/78/946785378.db2.gz QIKVYTFGKKPDIN-CQSZACIVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573541665 946787873 /nfs/dbraw/zinc/78/78/73/946787873.db2.gz VQNQAUCBGFLCFV-TZMCWYRMSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573541665 946787884 /nfs/dbraw/zinc/78/78/84/946787884.db2.gz VQNQAUCBGFLCFV-TZMCWYRMSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)(C)C ZINC001573541577 946788493 /nfs/dbraw/zinc/78/84/93/946788493.db2.gz RUGQPBPCZMSFFG-SWLSCSKDSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)(C)C ZINC001573541577 946788496 /nfs/dbraw/zinc/78/84/96/946788496.db2.gz RUGQPBPCZMSFFG-SWLSCSKDSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573541579 946789007 /nfs/dbraw/zinc/78/90/07/946789007.db2.gz RXUOHIXAIUJIHM-HUUCEWRRSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573541579 946789013 /nfs/dbraw/zinc/78/90/13/946789013.db2.gz RXUOHIXAIUJIHM-HUUCEWRRSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573541912 946790927 /nfs/dbraw/zinc/79/09/27/946790927.db2.gz YBCWXGCSUGOFKM-BLLLJJGKSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573541912 946790933 /nfs/dbraw/zinc/79/09/33/946790933.db2.gz YBCWXGCSUGOFKM-BLLLJJGKSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541955 946792604 /nfs/dbraw/zinc/79/26/04/946792604.db2.gz ZMCKBMLZMITERA-OAHLLOKOSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541955 946792610 /nfs/dbraw/zinc/79/26/10/946792610.db2.gz ZMCKBMLZMITERA-OAHLLOKOSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC001573543071 946806915 /nfs/dbraw/zinc/80/69/15/946806915.db2.gz UGWZYCUWELPXBY-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC001573543071 946806927 /nfs/dbraw/zinc/80/69/27/946806927.db2.gz UGWZYCUWELPXBY-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001573543054 946807036 /nfs/dbraw/zinc/80/70/36/946807036.db2.gz TTYLMGDNPNDGMS-OAHLLOKOSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001573543054 946807047 /nfs/dbraw/zinc/80/70/47/946807047.db2.gz TTYLMGDNPNDGMS-OAHLLOKOSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)Nc1nc(CNC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cs1 ZINC001573548307 946849780 /nfs/dbraw/zinc/84/97/80/946849780.db2.gz IFPLTEJVNUWGTI-QMMMGPOBSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CNC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cs1 ZINC001573548307 946849800 /nfs/dbraw/zinc/84/98/00/946849800.db2.gz IFPLTEJVNUWGTI-QMMMGPOBSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CN[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cs1 ZINC001573548517 946853514 /nfs/dbraw/zinc/85/35/14/946853514.db2.gz MOVYLMWUPMAWOS-MRVPVSSYSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CN[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cs1 ZINC001573548517 946853527 /nfs/dbraw/zinc/85/35/27/946853527.db2.gz MOVYLMWUPMAWOS-MRVPVSSYSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CNC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cs1 ZINC001573548589 946855373 /nfs/dbraw/zinc/85/53/73/946855373.db2.gz PZSSDGHHBOYKCI-QMMMGPOBSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CNC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cs1 ZINC001573548589 946855384 /nfs/dbraw/zinc/85/53/84/946855384.db2.gz PZSSDGHHBOYKCI-QMMMGPOBSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573548570 946855590 /nfs/dbraw/zinc/85/55/90/946855590.db2.gz OQCRWGLSTKTLFM-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573548570 946855599 /nfs/dbraw/zinc/85/55/99/946855599.db2.gz OQCRWGLSTKTLFM-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCOCC1 ZINC000824632742 946874542 /nfs/dbraw/zinc/87/45/42/946874542.db2.gz CUAFOHLMUOYBJI-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCOCC1 ZINC000824632742 946874552 /nfs/dbraw/zinc/87/45/52/946874552.db2.gz CUAFOHLMUOYBJI-WCQYABFASA-N -1 3 394.457 0.219 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001573552782 946881035 /nfs/dbraw/zinc/88/10/35/946881035.db2.gz BHRRTIBJIQWKHY-LLVKDONJSA-N -1 3 382.384 0.950 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001573552782 946881050 /nfs/dbraw/zinc/88/10/50/946881050.db2.gz BHRRTIBJIQWKHY-LLVKDONJSA-N -1 3 382.384 0.950 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC=C(F)C1 ZINC000824633914 946882014 /nfs/dbraw/zinc/88/20/14/946882014.db2.gz RJPLUJGEEPZAAU-JTQLQIEISA-N -1 3 380.405 0.619 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC=C(F)C1 ZINC000824633914 946882028 /nfs/dbraw/zinc/88/20/28/946882028.db2.gz RJPLUJGEEPZAAU-JTQLQIEISA-N -1 3 380.405 0.619 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001573553659 946889218 /nfs/dbraw/zinc/88/92/18/946889218.db2.gz INTOBBQHSSEATJ-UHFFFAOYSA-N -1 3 383.372 0.001 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001573553659 946889235 /nfs/dbraw/zinc/88/92/35/946889235.db2.gz INTOBBQHSSEATJ-UHFFFAOYSA-N -1 3 383.372 0.001 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)O ZINC000824686323 946895919 /nfs/dbraw/zinc/89/59/19/946895919.db2.gz BKHYEGJQMWZWRY-MNOVXSKESA-N -1 3 376.417 0.868 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)O ZINC000824686323 946895927 /nfs/dbraw/zinc/89/59/27/946895927.db2.gz BKHYEGJQMWZWRY-MNOVXSKESA-N -1 3 376.417 0.868 20 0 GCADHM C[C@H](OC(=O)CCN1C(=O)CCC1=O)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824713389 946906404 /nfs/dbraw/zinc/90/64/04/946906404.db2.gz HYNDRGPFPIEVLV-JTQLQIEISA-N -1 3 386.368 0.276 20 0 GCADHM C[C@H](OC(=O)CCN1C(=O)CCC1=O)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824713389 946906417 /nfs/dbraw/zinc/90/64/17/946906417.db2.gz HYNDRGPFPIEVLV-JTQLQIEISA-N -1 3 386.368 0.276 20 0 GCADHM C[C@@H](OC(=O)CN1CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824714988 946909588 /nfs/dbraw/zinc/90/95/88/946909588.db2.gz PTOFCDDVKSTGQI-SNVBAGLBSA-N -1 3 394.819 0.723 20 0 GCADHM C[C@@H](OC(=O)CN1CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824714988 946909595 /nfs/dbraw/zinc/90/95/95/946909595.db2.gz PTOFCDDVKSTGQI-SNVBAGLBSA-N -1 3 394.819 0.723 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)NCCc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC001573557993 946935597 /nfs/dbraw/zinc/93/55/97/946935597.db2.gz DYEQUSVHNGONCQ-UHFFFAOYSA-N -1 3 381.400 0.470 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)NCCc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC001573557993 946935600 /nfs/dbraw/zinc/93/56/00/946935600.db2.gz DYEQUSVHNGONCQ-UHFFFAOYSA-N -1 3 381.400 0.470 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC001573558358 946938116 /nfs/dbraw/zinc/93/81/16/946938116.db2.gz JVVSXONLCHPCEY-NSHDSACASA-N -1 3 382.384 0.512 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824807345 946939371 /nfs/dbraw/zinc/93/93/71/946939371.db2.gz ISSSKVIMKWXRDN-UHFFFAOYSA-N -1 3 397.483 0.816 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824807345 946939374 /nfs/dbraw/zinc/93/93/74/946939374.db2.gz ISSSKVIMKWXRDN-UHFFFAOYSA-N -1 3 397.483 0.816 20 0 GCADHM C[C@]1([C@@H]2CCCN(c3nc4ccccn4c3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000824817451 946942907 /nfs/dbraw/zinc/94/29/07/946942907.db2.gz OIGYQZHSZPRJBS-BMLIUANNSA-N -1 3 381.400 0.329 20 0 GCADHM C[C@]1([C@@H]2CCCN(c3nc4ccccn4c3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000824817451 946942913 /nfs/dbraw/zinc/94/29/13/946942913.db2.gz OIGYQZHSZPRJBS-BMLIUANNSA-N -1 3 381.400 0.329 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001573559010 946944668 /nfs/dbraw/zinc/94/46/68/946944668.db2.gz VAQLENJTYMNIGZ-JTQLQIEISA-N -1 3 381.400 0.988 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001573559010 946944677 /nfs/dbraw/zinc/94/46/77/946944677.db2.gz VAQLENJTYMNIGZ-JTQLQIEISA-N -1 3 381.400 0.988 20 0 GCADHM C[C@@H]1CN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCS1(=O)=O ZINC000824985203 947027864 /nfs/dbraw/zinc/02/78/64/947027864.db2.gz SYNVGNNAYGLMHC-IUODEOHRSA-N -1 3 390.469 0.481 20 0 GCADHM C[C@@H]1CN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCS1(=O)=O ZINC000824985203 947027877 /nfs/dbraw/zinc/02/78/77/947027877.db2.gz SYNVGNNAYGLMHC-IUODEOHRSA-N -1 3 390.469 0.481 20 0 GCADHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000824991508 947028129 /nfs/dbraw/zinc/02/81/29/947028129.db2.gz BRWCEIWIWSHLIU-LBPRGKRZSA-N -1 3 387.469 0.886 20 0 GCADHM C[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000824991508 947028140 /nfs/dbraw/zinc/02/81/40/947028140.db2.gz BRWCEIWIWSHLIU-LBPRGKRZSA-N -1 3 387.469 0.886 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825066207 947061914 /nfs/dbraw/zinc/06/19/14/947061914.db2.gz ADEQRNYNGDYFNF-MNOVXSKESA-N -1 3 375.433 0.978 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825066207 947061925 /nfs/dbraw/zinc/06/19/25/947061925.db2.gz ADEQRNYNGDYFNF-MNOVXSKESA-N -1 3 375.433 0.978 20 0 GCADHM CC[C@@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC000825134843 947095422 /nfs/dbraw/zinc/09/54/22/947095422.db2.gz XMACKYHTEMNMCV-CYBMUJFWSA-N -1 3 378.820 0.887 20 0 GCADHM CC[C@@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC000825134843 947095430 /nfs/dbraw/zinc/09/54/30/947095430.db2.gz XMACKYHTEMNMCV-CYBMUJFWSA-N -1 3 378.820 0.887 20 0 GCADHM CC[C@]1(c2ccc(OC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)NC(=O)NC1=O ZINC000825176093 947109752 /nfs/dbraw/zinc/10/97/52/947109752.db2.gz FWCYZBIGBCNMSI-QGZVFWFLSA-N -1 3 381.352 0.859 20 0 GCADHM CCC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN1Cc1ccccc1 ZINC000825255905 947134248 /nfs/dbraw/zinc/13/42/48/947134248.db2.gz ZPHWYPHLUJQJTM-MRXNPFEDSA-N -1 3 395.471 0.971 20 0 GCADHM CCC[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1Cc1ccccc1 ZINC000825255905 947134255 /nfs/dbraw/zinc/13/42/55/947134255.db2.gz ZPHWYPHLUJQJTM-MRXNPFEDSA-N -1 3 395.471 0.971 20 0 GCADHM CCN(C1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000825395195 947174008 /nfs/dbraw/zinc/17/40/08/947174008.db2.gz MTHNCRQHWUAVEJ-UHFFFAOYSA-N -1 3 390.473 0.765 20 0 GCADHM CCN(C1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000825395195 947174013 /nfs/dbraw/zinc/17/40/13/947174013.db2.gz MTHNCRQHWUAVEJ-UHFFFAOYSA-N -1 3 390.473 0.765 20 0 GCADHM CCNC(=O)N1CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000825471017 947197556 /nfs/dbraw/zinc/19/75/56/947197556.db2.gz LWAXUFZDDGVYJS-MRXNPFEDSA-N -1 3 398.471 0.709 20 0 GCADHM CCNC(=O)N1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000825471017 947197564 /nfs/dbraw/zinc/19/75/64/947197564.db2.gz LWAXUFZDDGVYJS-MRXNPFEDSA-N -1 3 398.471 0.709 20 0 GCADHM CCNC(=O)N1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000825471015 947198340 /nfs/dbraw/zinc/19/83/40/947198340.db2.gz LWAXUFZDDGVYJS-INIZCTEOSA-N -1 3 398.471 0.709 20 0 GCADHM CCNC(=O)N1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000825471015 947198349 /nfs/dbraw/zinc/19/83/49/947198349.db2.gz LWAXUFZDDGVYJS-INIZCTEOSA-N -1 3 398.471 0.709 20 0 GCADHM CCOC(=O)[C@@H](CO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000825492993 947203228 /nfs/dbraw/zinc/20/32/28/947203228.db2.gz JIKMRZXOPNZJQA-LLVKDONJSA-N -1 3 394.457 0.319 20 0 GCADHM CCOC(=O)[C@@H](CO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000825492993 947203239 /nfs/dbraw/zinc/20/32/39/947203239.db2.gz JIKMRZXOPNZJQA-LLVKDONJSA-N -1 3 394.457 0.319 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)NCc2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000825565592 947224420 /nfs/dbraw/zinc/22/44/20/947224420.db2.gz WEKFUTWIOFJYGD-UHFFFAOYSA-N -1 3 385.384 0.565 20 0 GCADHM CCOC(=O)c1cnn(Cc2cc(=O)n3c(C)csc3n2)c1-c1nnn[n-]1 ZINC000825570536 947229853 /nfs/dbraw/zinc/22/98/53/947229853.db2.gz KWSSRNZZVKALHW-UHFFFAOYSA-N -1 3 386.397 0.666 20 0 GCADHM CCOC(=O)c1sc(NC(=O)C2=NN(C)C(=O)CC2)c(-c2nnn[n-]2)c1C ZINC000825577012 947239376 /nfs/dbraw/zinc/23/93/76/947239376.db2.gz RCYHQLVXHXTYKZ-UHFFFAOYSA-N -1 3 391.413 0.960 20 0 GCADHM CCOC(=O)c1sc(NC(=O)C2=NN(C)C(=O)CC2)c(-c2nn[n-]n2)c1C ZINC000825577012 947239386 /nfs/dbraw/zinc/23/93/86/947239386.db2.gz RCYHQLVXHXTYKZ-UHFFFAOYSA-N -1 3 391.413 0.960 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H](C)c1cccnc1 ZINC001573585405 947255891 /nfs/dbraw/zinc/25/58/91/947255891.db2.gz FPHHQVWOHOXIAL-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H](C)c1cccnc1 ZINC001573585405 947255910 /nfs/dbraw/zinc/25/59/10/947255910.db2.gz FPHHQVWOHOXIAL-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCn2cc(C)nc2C1 ZINC000825621677 947262066 /nfs/dbraw/zinc/26/20/66/947262066.db2.gz XASFATBQADVXMI-UHFFFAOYSA-N -1 3 396.411 0.751 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2cc(C)nc2C1 ZINC000825621677 947262078 /nfs/dbraw/zinc/26/20/78/947262078.db2.gz XASFATBQADVXMI-UHFFFAOYSA-N -1 3 396.411 0.751 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573585641 947262435 /nfs/dbraw/zinc/26/24/35/947262435.db2.gz HJHUPLNKYCIINN-OLZOCXBDSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(C(=O)[C@H](C)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573585660 947266063 /nfs/dbraw/zinc/26/60/63/947266063.db2.gz HPJNCHWUUMQREX-LBPRGKRZSA-N -1 3 388.476 0.643 20 0 GCADHM CC(C)N(C(=O)[C@H](C)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573585660 947266075 /nfs/dbraw/zinc/26/60/75/947266075.db2.gz HPJNCHWUUMQREX-LBPRGKRZSA-N -1 3 388.476 0.643 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573585871 947271197 /nfs/dbraw/zinc/27/11/97/947271197.db2.gz JDUOWUMYRPXMJF-CYBMUJFWSA-N -1 3 388.476 0.598 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573585871 947271211 /nfs/dbraw/zinc/27/12/11/947271211.db2.gz JDUOWUMYRPXMJF-CYBMUJFWSA-N -1 3 388.476 0.598 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825662855 947279389 /nfs/dbraw/zinc/27/93/89/947279389.db2.gz CGNBIJPVVVAGDT-OAHLLOKOSA-N -1 3 392.485 0.729 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825662855 947279406 /nfs/dbraw/zinc/27/94/06/947279406.db2.gz CGNBIJPVVVAGDT-OAHLLOKOSA-N -1 3 392.485 0.729 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573586401 947288439 /nfs/dbraw/zinc/28/84/39/947288439.db2.gz PPGCRSNQNOYRQQ-JSGCOSHPSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573586401 947288447 /nfs/dbraw/zinc/28/84/47/947288447.db2.gz PPGCRSNQNOYRQQ-JSGCOSHPSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H](C)c1ccnn1C ZINC001573586523 947289704 /nfs/dbraw/zinc/28/97/04/947289704.db2.gz PZICMNIXUYUCNE-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H](C)c1ccnn1C ZINC001573586523 947289714 /nfs/dbraw/zinc/28/97/14/947289714.db2.gz PZICMNIXUYUCNE-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573591393 947311255 /nfs/dbraw/zinc/31/12/55/947311255.db2.gz BGZQMUIVMDXCAJ-BLLLJJGKSA-N -1 3 383.456 0.424 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573591393 947311261 /nfs/dbraw/zinc/31/12/61/947311261.db2.gz BGZQMUIVMDXCAJ-BLLLJJGKSA-N -1 3 383.456 0.424 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001573591512 947313411 /nfs/dbraw/zinc/31/34/11/947313411.db2.gz CCXGDNMEMCEDPB-DZGCQCFKSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001573591512 947313426 /nfs/dbraw/zinc/31/34/26/947313426.db2.gz CCXGDNMEMCEDPB-DZGCQCFKSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001573591498 947314287 /nfs/dbraw/zinc/31/42/87/947314287.db2.gz BXZINDIDAHLNFX-GWCFXTLKSA-N -1 3 389.485 0.486 20 0 GCADHM CCc1nnc(CS(=O)(=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1C ZINC000825767911 947324709 /nfs/dbraw/zinc/32/47/09/947324709.db2.gz UGFNZEBCTGVCQS-UHFFFAOYSA-N -1 3 390.429 0.111 20 0 GCADHM CCc1nnc(CS(=O)(=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1C ZINC000825767911 947324727 /nfs/dbraw/zinc/32/47/27/947324727.db2.gz UGFNZEBCTGVCQS-UHFFFAOYSA-N -1 3 390.429 0.111 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573592320 947332605 /nfs/dbraw/zinc/33/26/05/947332605.db2.gz JDNNEPXFIKNSOU-MLGOLLRUSA-N -1 3 383.456 0.424 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573592320 947332614 /nfs/dbraw/zinc/33/26/14/947332614.db2.gz JDNNEPXFIKNSOU-MLGOLLRUSA-N -1 3 383.456 0.424 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573592453 947337120 /nfs/dbraw/zinc/33/71/20/947337120.db2.gz CAZGIWGUILDMIW-SMDDNHRTSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573592453 947337134 /nfs/dbraw/zinc/33/71/34/947337134.db2.gz CAZGIWGUILDMIW-SMDDNHRTSA-N -1 3 382.432 0.763 20 0 GCADHM CN(C)C(=O)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825839908 947344337 /nfs/dbraw/zinc/34/43/37/947344337.db2.gz LESALNOPRLJKCS-UHFFFAOYSA-N -1 3 389.807 0.916 20 0 GCADHM CN(C)C(=O)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825839908 947344350 /nfs/dbraw/zinc/34/43/50/947344350.db2.gz LESALNOPRLJKCS-UHFFFAOYSA-N -1 3 389.807 0.916 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001573592801 947349765 /nfs/dbraw/zinc/34/97/65/947349765.db2.gz NCSPNQQTXYXOLG-ZIAGYGMSSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001573592801 947349781 /nfs/dbraw/zinc/34/97/81/947349781.db2.gz NCSPNQQTXYXOLG-ZIAGYGMSSA-N -1 3 384.444 0.580 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000825875565 947352953 /nfs/dbraw/zinc/35/29/53/947352953.db2.gz SWADBUJBUHNJPX-UHFFFAOYSA-N -1 3 388.409 0.869 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825875565 947352965 /nfs/dbraw/zinc/35/29/65/947352965.db2.gz SWADBUJBUHNJPX-UHFFFAOYSA-N -1 3 388.409 0.869 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(COC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000825875405 947353804 /nfs/dbraw/zinc/35/38/04/947353804.db2.gz OHAGJPGZVVRJPO-UHFFFAOYSA-N -1 3 376.398 0.802 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(COC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000825875405 947353820 /nfs/dbraw/zinc/35/38/20/947353820.db2.gz OHAGJPGZVVRJPO-UHFFFAOYSA-N -1 3 376.398 0.802 20 0 GCADHM CN(CC(=O)N1CCCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825886992 947355703 /nfs/dbraw/zinc/35/57/03/947355703.db2.gz AVZIOQBRTCWGAX-MRXNPFEDSA-N -1 3 383.456 0.916 20 0 GCADHM CN(CC(=O)N1CCCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825886992 947355716 /nfs/dbraw/zinc/35/57/16/947355716.db2.gz AVZIOQBRTCWGAX-MRXNPFEDSA-N -1 3 383.456 0.916 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573592999 947358261 /nfs/dbraw/zinc/35/82/61/947358261.db2.gz HMJUPDWRYPNISJ-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573592999 947358271 /nfs/dbraw/zinc/35/82/71/947358271.db2.gz HMJUPDWRYPNISJ-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825897867 947361040 /nfs/dbraw/zinc/36/10/40/947361040.db2.gz OZKBBJHCDPPUOM-MRXNPFEDSA-N -1 3 388.472 0.717 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573593200 947363527 /nfs/dbraw/zinc/36/35/27/947363527.db2.gz RMCGAPFPRVPBRU-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573593200 947363539 /nfs/dbraw/zinc/36/35/39/947363539.db2.gz RMCGAPFPRVPBRU-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)n1cncn1 ZINC001573593164 947363878 /nfs/dbraw/zinc/36/38/78/947363878.db2.gz QVSCTTGDAUGYPQ-LBPRGKRZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)n1cncn1 ZINC001573593164 947363888 /nfs/dbraw/zinc/36/38/88/947363888.db2.gz QVSCTTGDAUGYPQ-LBPRGKRZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC001573593730 947378569 /nfs/dbraw/zinc/37/85/69/947378569.db2.gz VAHLOQUIOUHWAD-ONGXEEELSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC001573593730 947378576 /nfs/dbraw/zinc/37/85/76/947378576.db2.gz VAHLOQUIOUHWAD-ONGXEEELSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573594065 947386691 /nfs/dbraw/zinc/38/66/91/947386691.db2.gz WZCIRHZFGGHSHE-TZMCWYRMSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573594201 947387941 /nfs/dbraw/zinc/38/79/41/947387941.db2.gz OOMQWJMGMKLMEM-KPPDAEKUSA-N -1 3 379.446 0.096 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573594201 947387956 /nfs/dbraw/zinc/38/79/56/947387956.db2.gz OOMQWJMGMKLMEM-KPPDAEKUSA-N -1 3 379.446 0.096 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1)n1cccn1 ZINC001573594483 947397019 /nfs/dbraw/zinc/39/70/19/947397019.db2.gz ZRYTZEYBZJWEOQ-SECBINFHSA-N -1 3 384.404 0.322 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1)n1cccn1 ZINC001573594485 947399449 /nfs/dbraw/zinc/39/94/49/947399449.db2.gz ZRYTZEYBZJWEOQ-VIFPVBQESA-N -1 3 384.404 0.322 20 0 GCADHM CN(Cc1ncc(Cl)n1C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000825991677 947400620 /nfs/dbraw/zinc/40/06/20/947400620.db2.gz GRCLQKKNVCQLHH-UHFFFAOYSA-N -1 3 390.839 0.902 20 0 GCADHM CN(Cc1ncc(Cl)n1C)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000825991677 947400634 /nfs/dbraw/zinc/40/06/34/947400634.db2.gz GRCLQKKNVCQLHH-UHFFFAOYSA-N -1 3 390.839 0.902 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826011039 947401667 /nfs/dbraw/zinc/40/16/67/947401667.db2.gz VDHMPCXMRKMJEF-RUXDESIVSA-N -1 3 385.428 0.689 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826011039 947401673 /nfs/dbraw/zinc/40/16/73/947401673.db2.gz VDHMPCXMRKMJEF-RUXDESIVSA-N -1 3 385.428 0.689 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573594931 947409995 /nfs/dbraw/zinc/40/99/95/947409995.db2.gz UTUWSNLSVKSYPR-VXGBXAGGSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573594931 947410005 /nfs/dbraw/zinc/41/00/05/947410005.db2.gz UTUWSNLSVKSYPR-VXGBXAGGSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573594907 947410364 /nfs/dbraw/zinc/41/03/64/947410364.db2.gz DVADGTNSOMSSAT-JQWIXIFHSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573594907 947410370 /nfs/dbraw/zinc/41/03/70/947410370.db2.gz DVADGTNSOMSSAT-JQWIXIFHSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573595131 947415782 /nfs/dbraw/zinc/41/57/82/947415782.db2.gz FPWBQUYGORSRDD-QWRGUYRKSA-N -1 3 389.395 0.090 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573595131 947415792 /nfs/dbraw/zinc/41/57/92/947415792.db2.gz FPWBQUYGORSRDD-QWRGUYRKSA-N -1 3 389.395 0.090 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573596480 947428742 /nfs/dbraw/zinc/42/87/42/947428742.db2.gz KKSIXCAGRBLLOJ-NSHDSACASA-N -1 3 388.411 0.538 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573596480 947428748 /nfs/dbraw/zinc/42/87/48/947428748.db2.gz KKSIXCAGRBLLOJ-NSHDSACASA-N -1 3 388.411 0.538 20 0 GCADHM COC(=O)[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1cccc(O)c1 ZINC000826103648 947429095 /nfs/dbraw/zinc/42/90/95/947429095.db2.gz JMTUJDBBTRPWMB-HNNXBMFYSA-N -1 3 383.368 0.410 20 0 GCADHM COC(=O)[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1cccc(O)c1 ZINC000826103648 947429107 /nfs/dbraw/zinc/42/91/07/947429107.db2.gz JMTUJDBBTRPWMB-HNNXBMFYSA-N -1 3 383.368 0.410 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573596829 947431938 /nfs/dbraw/zinc/43/19/38/947431938.db2.gz LKDFORBXHQYGLK-WFASDCNBSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573597830 947439371 /nfs/dbraw/zinc/43/93/71/947439371.db2.gz ORWJQLLOADYDFB-RISCZKNCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573597830 947439378 /nfs/dbraw/zinc/43/93/78/947439378.db2.gz ORWJQLLOADYDFB-RISCZKNCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001573597876 947440001 /nfs/dbraw/zinc/44/00/01/947440001.db2.gz PFJNUXDHWCKMEN-WFASDCNBSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001573597876 947440009 /nfs/dbraw/zinc/44/00/09/947440009.db2.gz PFJNUXDHWCKMEN-WFASDCNBSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001573597872 947440867 /nfs/dbraw/zinc/44/08/67/947440867.db2.gz PFJNUXDHWCKMEN-IUODEOHRSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001573597872 947440875 /nfs/dbraw/zinc/44/08/75/947440875.db2.gz PFJNUXDHWCKMEN-IUODEOHRSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573599242 947451901 /nfs/dbraw/zinc/45/19/01/947451901.db2.gz WOMXEWWZRXVPSL-VXGBXAGGSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573599242 947451910 /nfs/dbraw/zinc/45/19/10/947451910.db2.gz WOMXEWWZRXVPSL-VXGBXAGGSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573599621 947458128 /nfs/dbraw/zinc/45/81/28/947458128.db2.gz YVRRRTBEOFQRCD-NEPJUHHUSA-N -1 3 387.473 0.814 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001573599621 947458135 /nfs/dbraw/zinc/45/81/35/947458135.db2.gz YVRRRTBEOFQRCD-NEPJUHHUSA-N -1 3 387.473 0.814 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573599693 947459746 /nfs/dbraw/zinc/45/97/46/947459746.db2.gz ZQFINFKPRRWZSA-IUODEOHRSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cccn1 ZINC001573599741 947459760 /nfs/dbraw/zinc/45/97/60/947459760.db2.gz ZVHPBHZGKFJGKK-RYUDHWBXSA-N -1 3 388.407 0.695 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cccn1 ZINC001573599741 947459769 /nfs/dbraw/zinc/45/97/69/947459769.db2.gz ZVHPBHZGKFJGKK-RYUDHWBXSA-N -1 3 388.407 0.695 20 0 GCADHM C[C@@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C1CC1 ZINC001573601735 947463713 /nfs/dbraw/zinc/46/37/13/947463713.db2.gz BASUPXUGLPKGDX-CQSZACIVSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C1CC1 ZINC001573601735 947463716 /nfs/dbraw/zinc/46/37/16/947463716.db2.gz BASUPXUGLPKGDX-CQSZACIVSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573603005 947476636 /nfs/dbraw/zinc/47/66/36/947476636.db2.gz INQFHUKEOUPLPV-GFCCVEGCSA-N -1 3 382.428 0.924 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573603005 947476644 /nfs/dbraw/zinc/47/66/44/947476644.db2.gz INQFHUKEOUPLPV-GFCCVEGCSA-N -1 3 382.428 0.924 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573603413 947487726 /nfs/dbraw/zinc/48/77/26/947487726.db2.gz GKRQKNDALYNRTQ-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573603413 947487733 /nfs/dbraw/zinc/48/77/33/947487733.db2.gz GKRQKNDALYNRTQ-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM COCCCNC(=O)CN(C)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826156425 947491109 /nfs/dbraw/zinc/49/11/09/947491109.db2.gz CLAJMFLDFCFWGP-UHFFFAOYSA-N -1 3 398.471 0.852 20 0 GCADHM COCCCNC(=O)CN(C)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826156425 947491114 /nfs/dbraw/zinc/49/11/14/947491114.db2.gz CLAJMFLDFCFWGP-UHFFFAOYSA-N -1 3 398.471 0.852 20 0 GCADHM COCCN(CCOCC1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826158289 947501123 /nfs/dbraw/zinc/50/11/23/947501123.db2.gz IYLRAYYHHCQTQW-UHFFFAOYSA-N -1 3 381.458 0.930 20 0 GCADHM COCCN(CCOCC1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826158289 947501135 /nfs/dbraw/zinc/50/11/35/947501135.db2.gz IYLRAYYHHCQTQW-UHFFFAOYSA-N -1 3 381.458 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573604155 947505063 /nfs/dbraw/zinc/50/50/63/947505063.db2.gz LYMCQDBLCHONCL-VIFPVBQESA-N -1 3 376.812 0.638 20 0 GCADHM C[C@@H](C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573604155 947505067 /nfs/dbraw/zinc/50/50/67/947505067.db2.gz LYMCQDBLCHONCL-VIFPVBQESA-N -1 3 376.812 0.638 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncnc1 ZINC001573604149 947505410 /nfs/dbraw/zinc/50/54/10/947505410.db2.gz SJMQMYWYVOMTBM-LLVKDONJSA-N -1 3 383.416 0.319 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncnc1 ZINC001573604149 947505420 /nfs/dbraw/zinc/50/54/20/947505420.db2.gz SJMQMYWYVOMTBM-LLVKDONJSA-N -1 3 383.416 0.319 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000826162082 947510231 /nfs/dbraw/zinc/51/02/31/947510231.db2.gz MMGTVGYYOAFCPJ-CQSZACIVSA-N -1 3 398.427 0.843 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573604401 947510394 /nfs/dbraw/zinc/51/03/94/947510394.db2.gz NOJMILFHHIYKSN-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573604401 947510402 /nfs/dbraw/zinc/51/04/02/947510402.db2.gz NOJMILFHHIYKSN-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573604402 947511683 /nfs/dbraw/zinc/51/16/83/947511683.db2.gz NOJMILFHHIYKSN-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573604402 947511692 /nfs/dbraw/zinc/51/16/92/947511692.db2.gz NOJMILFHHIYKSN-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573604685 947514998 /nfs/dbraw/zinc/51/49/98/947514998.db2.gz PNNULRSSLKMELG-SECBINFHSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573604685 947515000 /nfs/dbraw/zinc/51/50/00/947515000.db2.gz PNNULRSSLKMELG-SECBINFHSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001573604822 947517177 /nfs/dbraw/zinc/51/71/77/947517177.db2.gz WHGILWFCXHDJKL-LLVKDONJSA-N -1 3 387.423 0.833 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001573604822 947517191 /nfs/dbraw/zinc/51/71/91/947517191.db2.gz WHGILWFCXHDJKL-LLVKDONJSA-N -1 3 387.423 0.833 20 0 GCADHM C[C@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001573605081 947523871 /nfs/dbraw/zinc/52/38/71/947523871.db2.gz UWCBCZUSYNPJNA-WXHSDQCUSA-N -1 3 383.412 0.788 20 0 GCADHM C[C@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001573605081 947523883 /nfs/dbraw/zinc/52/38/83/947523883.db2.gz UWCBCZUSYNPJNA-WXHSDQCUSA-N -1 3 383.412 0.788 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCC(=O)N1 ZINC001573605086 947524209 /nfs/dbraw/zinc/52/42/09/947524209.db2.gz YIPVTQPARFXKKE-MFKMUULPSA-N -1 3 390.423 0.210 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCC(=O)N1 ZINC001573605086 947524218 /nfs/dbraw/zinc/52/42/18/947524218.db2.gz YIPVTQPARFXKKE-MFKMUULPSA-N -1 3 390.423 0.210 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573607147 947539969 /nfs/dbraw/zinc/53/99/69/947539969.db2.gz GBJBFVGHERGYIX-LLVKDONJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573607147 947539981 /nfs/dbraw/zinc/53/99/81/947539981.db2.gz GBJBFVGHERGYIX-LLVKDONJSA-N -1 3 380.412 0.676 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](CO)C1CCOCC1 ZINC000826175124 947541896 /nfs/dbraw/zinc/54/18/96/947541896.db2.gz ULYPNYSZAHBJKA-ZDUSSCGKSA-N -1 3 377.401 0.158 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](CO)C1CCOCC1 ZINC000826175124 947541906 /nfs/dbraw/zinc/54/19/06/947541906.db2.gz ULYPNYSZAHBJKA-ZDUSSCGKSA-N -1 3 377.401 0.158 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573607204 947542269 /nfs/dbraw/zinc/54/22/69/947542269.db2.gz HCMMIHCNCSPGGN-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573607204 947542282 /nfs/dbraw/zinc/54/22/82/947542282.db2.gz HCMMIHCNCSPGGN-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F)n1cccc1 ZINC001573607300 947544641 /nfs/dbraw/zinc/54/46/41/947544641.db2.gz JCYMCDMVDSIVAX-LBPRGKRZSA-N -1 3 388.407 0.696 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F)n1cccc1 ZINC001573607300 947544648 /nfs/dbraw/zinc/54/46/48/947544648.db2.gz JCYMCDMVDSIVAX-LBPRGKRZSA-N -1 3 388.407 0.696 20 0 GCADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573607855 947552366 /nfs/dbraw/zinc/55/23/66/947552366.db2.gz SUHBAGIKTYFAMK-LLVKDONJSA-N -1 3 380.412 0.582 20 0 GCADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573607855 947552370 /nfs/dbraw/zinc/55/23/70/947552370.db2.gz SUHBAGIKTYFAMK-LLVKDONJSA-N -1 3 380.412 0.582 20 0 GCADHM COc1cc(NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ncn1 ZINC000826180495 947558837 /nfs/dbraw/zinc/55/88/37/947558837.db2.gz JYLXQDKYBIRWDZ-UHFFFAOYSA-N -1 3 396.415 0.851 20 0 GCADHM COc1cc(NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ncn1 ZINC000826180495 947558846 /nfs/dbraw/zinc/55/88/46/947558846.db2.gz JYLXQDKYBIRWDZ-UHFFFAOYSA-N -1 3 396.415 0.851 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001573608414 947561350 /nfs/dbraw/zinc/56/13/50/947561350.db2.gz ZNYWAFWAPGTLGE-TZMCWYRMSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001573608414 947561352 /nfs/dbraw/zinc/56/13/52/947561352.db2.gz ZNYWAFWAPGTLGE-TZMCWYRMSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573613815 947571130 /nfs/dbraw/zinc/57/11/30/947571130.db2.gz AASCMNWVMFJQTI-NEPJUHHUSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573613815 947571136 /nfs/dbraw/zinc/57/11/36/947571136.db2.gz AASCMNWVMFJQTI-NEPJUHHUSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573614232 947581682 /nfs/dbraw/zinc/58/16/82/947581682.db2.gz DJRPEJGWKRBDSX-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573614232 947581695 /nfs/dbraw/zinc/58/16/95/947581695.db2.gz DJRPEJGWKRBDSX-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573614306 947584190 /nfs/dbraw/zinc/58/41/90/947584190.db2.gz LQVRBYQVVNXQLM-MCIONIFRSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573614306 947584193 /nfs/dbraw/zinc/58/41/93/947584193.db2.gz LQVRBYQVVNXQLM-MCIONIFRSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCCC1 ZINC001573614646 947588275 /nfs/dbraw/zinc/58/82/75/947588275.db2.gz NUMAMNOTMYRHSW-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCCC1 ZINC001573614646 947588285 /nfs/dbraw/zinc/58/82/85/947588285.db2.gz NUMAMNOTMYRHSW-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573614848 947594066 /nfs/dbraw/zinc/59/40/66/947594066.db2.gz AHXMTRZKBOACCA-JQWIXIFHSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573614848 947594075 /nfs/dbraw/zinc/59/40/75/947594075.db2.gz AHXMTRZKBOACCA-JQWIXIFHSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573614908 947595615 /nfs/dbraw/zinc/59/56/15/947595615.db2.gz BLFKBOHTYGVTLO-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573614908 947595621 /nfs/dbraw/zinc/59/56/21/947595621.db2.gz BLFKBOHTYGVTLO-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573615120 947599104 /nfs/dbraw/zinc/59/91/04/947599104.db2.gz RIOOOGZAJMRLSZ-PXAZEXFGSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573615120 947599112 /nfs/dbraw/zinc/59/91/12/947599112.db2.gz RIOOOGZAJMRLSZ-PXAZEXFGSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC(N(C)c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573616212 947619158 /nfs/dbraw/zinc/61/91/58/947619158.db2.gz HQCKEQDDEJOQOX-LBPRGKRZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC(N(C)c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573616212 947619164 /nfs/dbraw/zinc/61/91/64/947619164.db2.gz HQCKEQDDEJOQOX-LBPRGKRZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573616890 947629466 /nfs/dbraw/zinc/62/94/66/947629466.db2.gz JSAZRTBINALHOS-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573616890 947629473 /nfs/dbraw/zinc/62/94/73/947629473.db2.gz JSAZRTBINALHOS-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573617727 947640676 /nfs/dbraw/zinc/64/06/76/947640676.db2.gz MRJFNZYAXJOTGW-NWDGAFQWSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573617727 947640683 /nfs/dbraw/zinc/64/06/83/947640683.db2.gz MRJFNZYAXJOTGW-NWDGAFQWSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573617708 947641094 /nfs/dbraw/zinc/64/10/94/947641094.db2.gz MPKRLNQXMPDTAU-WDEREUQCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573617708 947641101 /nfs/dbraw/zinc/64/11/01/947641101.db2.gz MPKRLNQXMPDTAU-WDEREUQCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCO1 ZINC001573617965 947645872 /nfs/dbraw/zinc/64/58/72/947645872.db2.gz NWEJXLDPDKTCPH-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCO1 ZINC001573617965 947645882 /nfs/dbraw/zinc/64/58/82/947645882.db2.gz NWEJXLDPDKTCPH-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573618321 947650688 /nfs/dbraw/zinc/65/06/88/947650688.db2.gz QLPVLNZCKVJKIP-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573618321 947650695 /nfs/dbraw/zinc/65/06/95/947650695.db2.gz QLPVLNZCKVJKIP-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C=Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC001573356614 947652698 /nfs/dbraw/zinc/65/26/98/947652698.db2.gz ZAALWDNGQGCNMT-AWEZNQCLSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC001573356614 947652705 /nfs/dbraw/zinc/65/27/05/947652705.db2.gz ZAALWDNGQGCNMT-AWEZNQCLSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC001573356616 947652769 /nfs/dbraw/zinc/65/27/69/947652769.db2.gz ZAALWDNGQGCNMT-CQSZACIVSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC001573356616 947652775 /nfs/dbraw/zinc/65/27/75/947652775.db2.gz ZAALWDNGQGCNMT-CQSZACIVSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573619178 947660745 /nfs/dbraw/zinc/66/07/45/947660745.db2.gz UPLMYBMTCGMVNB-JSGCOSHPSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573619178 947660750 /nfs/dbraw/zinc/66/07/50/947660750.db2.gz UPLMYBMTCGMVNB-JSGCOSHPSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573619517 947664418 /nfs/dbraw/zinc/66/44/18/947664418.db2.gz VNSCOUYUOLBZIW-DOMZBBRYSA-N -1 3 392.485 0.333 20 0 GCADHM CS[C@@H]1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1N(C)C ZINC000826227464 947666715 /nfs/dbraw/zinc/66/67/15/947666715.db2.gz RGUDSEUUORODBW-HUUCEWRRSA-N -1 3 396.542 0.618 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573619977 947675143 /nfs/dbraw/zinc/67/51/43/947675143.db2.gz ZDEVHFOCCPXGDG-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573619977 947675150 /nfs/dbraw/zinc/67/51/50/947675150.db2.gz ZDEVHFOCCPXGDG-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C/C(=C\C(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1)C1CC1 ZINC001573361583 947691040 /nfs/dbraw/zinc/69/10/40/947691040.db2.gz BTOLRLJGVYADRZ-VSRDTVRMSA-N -1 3 383.456 0.984 20 0 GCADHM C/C(=C\C(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1)C1CC1 ZINC001573361583 947691049 /nfs/dbraw/zinc/69/10/49/947691049.db2.gz BTOLRLJGVYADRZ-VSRDTVRMSA-N -1 3 383.456 0.984 20 0 GCADHM Cc1c(CCC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cnn1C ZINC000826236263 947691237 /nfs/dbraw/zinc/69/12/37/947691237.db2.gz FMZHSVPWQYXVQV-UHFFFAOYSA-N -1 3 381.444 0.585 20 0 GCADHM Cc1c(CCC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cnn1C ZINC000826236263 947691248 /nfs/dbraw/zinc/69/12/48/947691248.db2.gz FMZHSVPWQYXVQV-UHFFFAOYSA-N -1 3 381.444 0.585 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncnc1 ZINC001573623946 947691769 /nfs/dbraw/zinc/69/17/69/947691769.db2.gz JAVBWQHEQHMOLE-ZYHUDNBSSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncnc1 ZINC001573623946 947691776 /nfs/dbraw/zinc/69/17/76/947691776.db2.gz JAVBWQHEQHMOLE-ZYHUDNBSSA-N -1 3 381.400 0.119 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000826246848 947724509 /nfs/dbraw/zinc/72/45/09/947724509.db2.gz NGPUEDJIIRZLNN-OAHLLOKOSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000826246848 947724516 /nfs/dbraw/zinc/72/45/16/947724516.db2.gz NGPUEDJIIRZLNN-OAHLLOKOSA-N -1 3 380.412 0.834 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)N1C(=O)CCC1=O ZINC001573627568 947728051 /nfs/dbraw/zinc/72/80/51/947728051.db2.gz ATAHWEBKNUXQRN-AAEUAGOBSA-N -1 3 398.427 0.202 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)N1C(=O)CCC1=O ZINC001573627568 947728062 /nfs/dbraw/zinc/72/80/62/947728062.db2.gz ATAHWEBKNUXQRN-AAEUAGOBSA-N -1 3 398.427 0.202 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573627682 947732124 /nfs/dbraw/zinc/73/21/24/947732124.db2.gz DSUCGNKEBDBFTK-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573627682 947732136 /nfs/dbraw/zinc/73/21/36/947732136.db2.gz DSUCGNKEBDBFTK-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573627860 947736634 /nfs/dbraw/zinc/73/66/34/947736634.db2.gz GDEUMEFAJCYSRC-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM C/C(=C\C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1)C1CC1 ZINC001573366398 947739729 /nfs/dbraw/zinc/73/97/29/947739729.db2.gz WGFNGMVENWEUCO-DLENHJPASA-N -1 3 383.456 0.984 20 0 GCADHM C/C(=C\C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1)C1CC1 ZINC001573366398 947739742 /nfs/dbraw/zinc/73/97/42/947739742.db2.gz WGFNGMVENWEUCO-DLENHJPASA-N -1 3 383.456 0.984 20 0 GCADHM C/C(=C\C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1)C1CC1 ZINC001573366402 947739818 /nfs/dbraw/zinc/73/98/18/947739818.db2.gz WGFNGMVENWEUCO-VSRDTVRMSA-N -1 3 383.456 0.984 20 0 GCADHM C/C(=C\C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1)C1CC1 ZINC001573366402 947739829 /nfs/dbraw/zinc/73/98/29/947739829.db2.gz WGFNGMVENWEUCO-VSRDTVRMSA-N -1 3 383.456 0.984 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573627997 947743937 /nfs/dbraw/zinc/74/39/37/947743937.db2.gz DXSVIKMSDRTTDP-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573627997 947743949 /nfs/dbraw/zinc/74/39/49/947743949.db2.gz DXSVIKMSDRTTDP-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)Cn2cncn2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258248 947744244 /nfs/dbraw/zinc/74/42/44/947744244.db2.gz FEIIBQNLMZERPM-NSHDSACASA-N -1 3 378.400 0.771 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)Cn2cncn2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258248 947744262 /nfs/dbraw/zinc/74/42/62/947744262.db2.gz FEIIBQNLMZERPM-NSHDSACASA-N -1 3 378.400 0.771 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573628089 947745223 /nfs/dbraw/zinc/74/52/23/947745223.db2.gz ILDNALQSKIRUAG-OCCSQVGLSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573628089 947745230 /nfs/dbraw/zinc/74/52/30/947745230.db2.gz ILDNALQSKIRUAG-OCCSQVGLSA-N -1 3 382.432 0.907 20 0 GCADHM Cc1cc(C(=O)N[C@@H](CO)C2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258689 947747011 /nfs/dbraw/zinc/74/70/11/947747011.db2.gz SLUJWNAVEGQRIX-KRWDZBQOSA-N -1 3 397.439 0.878 20 0 GCADHM Cc1cc(C(=O)N[C@@H](CO)C2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258689 947747017 /nfs/dbraw/zinc/74/70/17/947747017.db2.gz SLUJWNAVEGQRIX-KRWDZBQOSA-N -1 3 397.439 0.878 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573628243 947750047 /nfs/dbraw/zinc/75/00/47/947750047.db2.gz JJMYUJOCVKYWNY-CYBMUJFWSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573628244 947751320 /nfs/dbraw/zinc/75/13/20/947751320.db2.gz JJMYUJOCVKYWNY-ZDUSSCGKSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573628628 947759043 /nfs/dbraw/zinc/75/90/43/947759043.db2.gz NAMYJGXLZSWWBV-CHWSQXEVSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573628628 947759049 /nfs/dbraw/zinc/75/90/49/947759049.db2.gz NAMYJGXLZSWWBV-CHWSQXEVSA-N -1 3 382.432 0.907 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573367992 947764833 /nfs/dbraw/zinc/76/48/33/947764833.db2.gz KHQVEVURLLPISV-ZSOGYDGISA-N -1 3 385.428 0.388 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573367992 947764838 /nfs/dbraw/zinc/76/48/38/947764838.db2.gz KHQVEVURLLPISV-ZSOGYDGISA-N -1 3 385.428 0.388 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573367936 947765690 /nfs/dbraw/zinc/76/56/90/947765690.db2.gz JAMMMOVHAFUDBQ-YPMHNXCESA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573367936 947765697 /nfs/dbraw/zinc/76/56/97/947765697.db2.gz JAMMMOVHAFUDBQ-YPMHNXCESA-N -1 3 387.444 0.778 20 0 GCADHM Cc1cc(C)nc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826265759 947766353 /nfs/dbraw/zinc/76/63/53/947766353.db2.gz MAXWWZZILVKVTK-INIZCTEOSA-N -1 3 393.455 0.622 20 0 GCADHM Cc1cc(C)nc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826265759 947766358 /nfs/dbraw/zinc/76/63/58/947766358.db2.gz MAXWWZZILVKVTK-INIZCTEOSA-N -1 3 393.455 0.622 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573368366 947768415 /nfs/dbraw/zinc/76/84/15/947768415.db2.gz NMSBUDGSEAZANQ-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573368366 947768420 /nfs/dbraw/zinc/76/84/20/947768420.db2.gz NMSBUDGSEAZANQ-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573369182 947771885 /nfs/dbraw/zinc/77/18/85/947771885.db2.gz QZPIPQUEKJAHEM-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573369182 947771889 /nfs/dbraw/zinc/77/18/89/947771889.db2.gz QZPIPQUEKJAHEM-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001573373819 947798916 /nfs/dbraw/zinc/79/89/16/947798916.db2.gz GFHSJAOAIBMSBM-RISCZKNCSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001573373819 947798922 /nfs/dbraw/zinc/79/89/22/947798922.db2.gz GFHSJAOAIBMSBM-RISCZKNCSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001573373815 947800579 /nfs/dbraw/zinc/80/05/79/947800579.db2.gz GFHSJAOAIBMSBM-BXUZGUMPSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001573373815 947800585 /nfs/dbraw/zinc/80/05/85/947800585.db2.gz GFHSJAOAIBMSBM-BXUZGUMPSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573374683 947811311 /nfs/dbraw/zinc/81/13/11/947811311.db2.gz PDCLHIXMRNWEEF-RISCZKNCSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573374683 947811320 /nfs/dbraw/zinc/81/13/20/947811320.db2.gz PDCLHIXMRNWEEF-RISCZKNCSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573375004 947813450 /nfs/dbraw/zinc/81/34/50/947813450.db2.gz PTYYLNWODIKZQQ-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573375004 947813454 /nfs/dbraw/zinc/81/34/54/947813454.db2.gz PTYYLNWODIKZQQ-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC1(CCO)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573375075 947816175 /nfs/dbraw/zinc/81/61/75/947816175.db2.gz LZLQTRKXEAMOAK-UHFFFAOYSA-N -1 3 392.485 0.741 20 0 GCADHM C[C@@H](C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573637899 947827028 /nfs/dbraw/zinc/82/70/28/947827028.db2.gz VHEGELFPCKPBIS-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573637899 947827037 /nfs/dbraw/zinc/82/70/37/947827037.db2.gz VHEGELFPCKPBIS-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573638121 947833639 /nfs/dbraw/zinc/83/36/39/947833639.db2.gz FAEDGEBSYKVJIH-CZUORRHYSA-N -1 3 383.456 0.426 20 0 GCADHM C[C@@H](C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573638121 947833643 /nfs/dbraw/zinc/83/36/43/947833643.db2.gz FAEDGEBSYKVJIH-CZUORRHYSA-N -1 3 383.456 0.426 20 0 GCADHM C[C@H](C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573638122 947833700 /nfs/dbraw/zinc/83/37/00/947833700.db2.gz FAEDGEBSYKVJIH-XJKSGUPXSA-N -1 3 383.456 0.426 20 0 GCADHM C[C@H](C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573638122 947833706 /nfs/dbraw/zinc/83/37/06/947833706.db2.gz FAEDGEBSYKVJIH-XJKSGUPXSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573376535 947838272 /nfs/dbraw/zinc/83/82/72/947838272.db2.gz AAIPNEIGOJODLA-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573376535 947838278 /nfs/dbraw/zinc/83/82/78/947838278.db2.gz AAIPNEIGOJODLA-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573376898 947844745 /nfs/dbraw/zinc/84/47/45/947844745.db2.gz DIKYCJFQTRYDCP-MNOVXSKESA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573376898 947844752 /nfs/dbraw/zinc/84/47/52/947844752.db2.gz DIKYCJFQTRYDCP-MNOVXSKESA-N -1 3 375.433 0.967 20 0 GCADHM C[C@H](C(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573639763 947849098 /nfs/dbraw/zinc/84/90/98/947849098.db2.gz CPOKFYJCRDAFPY-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573639763 947849110 /nfs/dbraw/zinc/84/91/10/947849110.db2.gz CPOKFYJCRDAFPY-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)N[C@@](C)(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573378045 947852604 /nfs/dbraw/zinc/85/26/04/947852604.db2.gz VAMAJKKWMMQUTE-SFHVURJKSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@](C)(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573378045 947852612 /nfs/dbraw/zinc/85/26/12/947852612.db2.gz VAMAJKKWMMQUTE-SFHVURJKSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573378307 947856626 /nfs/dbraw/zinc/85/66/26/947856626.db2.gz ZCFKXPODWSZYTO-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573378307 947856634 /nfs/dbraw/zinc/85/66/34/947856634.db2.gz ZCFKXPODWSZYTO-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573641264 947857427 /nfs/dbraw/zinc/85/74/27/947857427.db2.gz LXYAIFLNGLWHCF-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573641264 947857442 /nfs/dbraw/zinc/85/74/42/947857442.db2.gz LXYAIFLNGLWHCF-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573380306 947857547 /nfs/dbraw/zinc/85/75/47/947857547.db2.gz AOWYJCCDIPWFHS-SFHVURJKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573380306 947857558 /nfs/dbraw/zinc/85/75/58/947857558.db2.gz AOWYJCCDIPWFHS-SFHVURJKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573380571 947860964 /nfs/dbraw/zinc/86/09/64/947860964.db2.gz FVONIHHIKVPCAK-IAGOWNOFSA-N -1 3 386.456 0.677 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573380529 947861556 /nfs/dbraw/zinc/86/15/56/947861556.db2.gz DUGQSDSEXYJZQU-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573380529 947861565 /nfs/dbraw/zinc/86/15/65/947861565.db2.gz DUGQSDSEXYJZQU-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cccc1 ZINC001573642491 947861968 /nfs/dbraw/zinc/86/19/68/947861968.db2.gz QQVYUNOFXMDHRR-DZGCQCFKSA-N -1 3 382.428 0.964 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cccc1 ZINC001573642491 947861973 /nfs/dbraw/zinc/86/19/73/947861973.db2.gz QQVYUNOFXMDHRR-DZGCQCFKSA-N -1 3 382.428 0.964 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573380747 947862584 /nfs/dbraw/zinc/86/25/84/947862584.db2.gz HHVPGXGQBKEEET-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573380747 947862590 /nfs/dbraw/zinc/86/25/90/947862590.db2.gz HHVPGXGQBKEEET-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573643658 947864622 /nfs/dbraw/zinc/86/46/22/947864622.db2.gz VXSYMXUDRFKPIP-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573643658 947864634 /nfs/dbraw/zinc/86/46/34/947864634.db2.gz VXSYMXUDRFKPIP-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1F ZINC000826298907 947865518 /nfs/dbraw/zinc/86/55/18/947865518.db2.gz KLUFEURADXEULB-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1F ZINC000826298907 947865522 /nfs/dbraw/zinc/86/55/22/947865522.db2.gz KLUFEURADXEULB-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001573380974 947867322 /nfs/dbraw/zinc/86/73/22/947867322.db2.gz LYOMJTKDMJNFFP-SFHVURJKSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001573380974 947867327 /nfs/dbraw/zinc/86/73/27/947867327.db2.gz LYOMJTKDMJNFFP-SFHVURJKSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573381207 947870569 /nfs/dbraw/zinc/87/05/69/947870569.db2.gz QNLNREQJPXBAJN-NSHDSACASA-N -1 3 381.824 0.563 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573381207 947870573 /nfs/dbraw/zinc/87/05/73/947870573.db2.gz QNLNREQJPXBAJN-NSHDSACASA-N -1 3 381.824 0.563 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573381254 947871188 /nfs/dbraw/zinc/87/11/88/947871188.db2.gz ROSJIIXMJQVQHE-CQSZACIVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573381254 947871199 /nfs/dbraw/zinc/87/11/99/947871199.db2.gz ROSJIIXMJQVQHE-CQSZACIVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1(C)C ZINC001573381752 947878421 /nfs/dbraw/zinc/87/84/21/947878421.db2.gz YOCRSCJFABVWTP-CQSZACIVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001573381752 947878429 /nfs/dbraw/zinc/87/84/29/947878429.db2.gz YOCRSCJFABVWTP-CQSZACIVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001573381773 947878836 /nfs/dbraw/zinc/87/88/36/947878836.db2.gz YWGQSWXOUIEGRF-KBPBESRZSA-N -1 3 391.407 0.216 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001573381773 947878839 /nfs/dbraw/zinc/87/88/39/947878839.db2.gz YWGQSWXOUIEGRF-KBPBESRZSA-N -1 3 391.407 0.216 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001573381776 947879116 /nfs/dbraw/zinc/87/91/16/947879116.db2.gz YWGQSWXOUIEGRF-UONOGXRCSA-N -1 3 391.407 0.216 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573381776 947879122 /nfs/dbraw/zinc/87/91/22/947879122.db2.gz YWGQSWXOUIEGRF-UONOGXRCSA-N -1 3 391.407 0.216 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573382086 947883836 /nfs/dbraw/zinc/88/38/36/947883836.db2.gz DHQIOKZNRZGYNC-CQSZACIVSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573382086 947883843 /nfs/dbraw/zinc/88/38/43/947883843.db2.gz DHQIOKZNRZGYNC-CQSZACIVSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NCC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573382525 947886608 /nfs/dbraw/zinc/88/66/08/947886608.db2.gz HVLLIHNHANEIAY-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NCC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573382525 947886615 /nfs/dbraw/zinc/88/66/15/947886615.db2.gz HVLLIHNHANEIAY-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1 ZINC001573383111 947888836 /nfs/dbraw/zinc/88/88/36/947888836.db2.gz NMEHAOHVXMIIMV-OAHLLOKOSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1 ZINC001573383111 947888840 /nfs/dbraw/zinc/88/88/40/947888840.db2.gz NMEHAOHVXMIIMV-OAHLLOKOSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001573383168 947891141 /nfs/dbraw/zinc/89/11/41/947891141.db2.gz OJTNCVISKVMWTB-CVEARBPZSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001573383168 947891149 /nfs/dbraw/zinc/89/11/49/947891149.db2.gz OJTNCVISKVMWTB-CVEARBPZSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001573383493 947892854 /nfs/dbraw/zinc/89/28/54/947892854.db2.gz TVPBRRMMMLXUKV-HNNXBMFYSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001573383493 947892862 /nfs/dbraw/zinc/89/28/62/947892862.db2.gz TVPBRRMMMLXUKV-HNNXBMFYSA-N -1 3 387.444 0.733 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573647528 947896607 /nfs/dbraw/zinc/89/66/07/947896607.db2.gz NWEGQBYXIDYCPQ-GBIKHYSHSA-N -1 3 386.395 0.512 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573647528 947896614 /nfs/dbraw/zinc/89/66/14/947896614.db2.gz NWEGQBYXIDYCPQ-GBIKHYSHSA-N -1 3 386.395 0.512 20 0 GCADHM Cc1ccnc(N2CCN(CC(=O)Nc3nncs3)CC2)c1-c1nnn[n-]1 ZINC000826310621 947897716 /nfs/dbraw/zinc/89/77/16/947897716.db2.gz BNDDUJHSXSZTLE-UHFFFAOYSA-N -1 3 386.445 0.182 20 0 GCADHM Cc1ccnc(N2CCN(CC(=O)Nc3nncs3)CC2)c1-c1nn[n-]n1 ZINC000826310621 947897724 /nfs/dbraw/zinc/89/77/24/947897724.db2.gz BNDDUJHSXSZTLE-UHFFFAOYSA-N -1 3 386.445 0.182 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647739 947901107 /nfs/dbraw/zinc/90/11/07/947901107.db2.gz SQOGCUOONQXVLT-SZOQZIPDSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647739 947901116 /nfs/dbraw/zinc/90/11/16/947901116.db2.gz SQOGCUOONQXVLT-SZOQZIPDSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573647917 947904210 /nfs/dbraw/zinc/90/42/10/947904210.db2.gz VMCHXFPPKDBISN-ZWKOPEQDSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573647917 947904217 /nfs/dbraw/zinc/90/42/17/947904217.db2.gz VMCHXFPPKDBISN-ZWKOPEQDSA-N -1 3 375.433 0.179 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573384474 947904660 /nfs/dbraw/zinc/90/46/60/947904660.db2.gz OIYKTWONANKPBI-CVEARBPZSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573384474 947904671 /nfs/dbraw/zinc/90/46/71/947904671.db2.gz OIYKTWONANKPBI-CVEARBPZSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573387785 947912984 /nfs/dbraw/zinc/91/29/84/947912984.db2.gz DIKIJDVHORNBSA-IINYFYTJSA-N -1 3 375.408 0.743 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573387785 947912989 /nfs/dbraw/zinc/91/29/89/947912989.db2.gz DIKIJDVHORNBSA-IINYFYTJSA-N -1 3 375.408 0.743 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001573651219 947919044 /nfs/dbraw/zinc/91/90/44/947919044.db2.gz KFKXFAPHGFOVRH-VQISRLSMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CC(Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573388317 947919043 /nfs/dbraw/zinc/91/90/43/947919043.db2.gz KUVPHVCQFUGEOR-UHFFFAOYSA-N -1 3 378.462 0.511 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001573651219 947919049 /nfs/dbraw/zinc/91/90/49/947919049.db2.gz KFKXFAPHGFOVRH-VQISRLSMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573651682 947923664 /nfs/dbraw/zinc/92/36/64/947923664.db2.gz OSTZEVQKJBCULD-LEQIOUOKSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573651682 947923672 /nfs/dbraw/zinc/92/36/72/947923672.db2.gz OSTZEVQKJBCULD-LEQIOUOKSA-N -1 3 383.334 0.580 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573389123 947924440 /nfs/dbraw/zinc/92/44/40/947924440.db2.gz QNPOGODJPMILLJ-MFKMUULPSA-N -1 3 390.423 0.386 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573389123 947924444 /nfs/dbraw/zinc/92/44/44/947924444.db2.gz QNPOGODJPMILLJ-MFKMUULPSA-N -1 3 390.423 0.386 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573389863 947926749 /nfs/dbraw/zinc/92/67/49/947926749.db2.gz UXJYGTJXPPAANK-LBPRGKRZSA-N -1 3 377.474 0.439 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573389863 947926756 /nfs/dbraw/zinc/92/67/56/947926756.db2.gz UXJYGTJXPPAANK-LBPRGKRZSA-N -1 3 377.474 0.439 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573390586 947929494 /nfs/dbraw/zinc/92/94/94/947929494.db2.gz YLFKVKDSXTXTPG-HNNXBMFYSA-N -1 3 389.435 0.517 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC001573390640 947929843 /nfs/dbraw/zinc/92/98/43/947929843.db2.gz ZQHPFPNQVDJWRH-CMPLNLGQSA-N -1 3 375.408 0.885 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573390640 947929848 /nfs/dbraw/zinc/92/98/48/947929848.db2.gz ZQHPFPNQVDJWRH-CMPLNLGQSA-N -1 3 375.408 0.885 20 0 GCADHM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)n1cncn1 ZINC001573652211 947931199 /nfs/dbraw/zinc/93/11/99/947931199.db2.gz BJMQNLVGJXMVLP-DIFFPNOSSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)n1cncn1 ZINC001573652211 947931212 /nfs/dbraw/zinc/93/12/12/947931212.db2.gz BJMQNLVGJXMVLP-DIFFPNOSSA-N -1 3 382.432 0.811 20 0 GCADHM Cc1cnc(CN(C)[C@H]2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)o1 ZINC000826318472 947932660 /nfs/dbraw/zinc/93/26/60/947932660.db2.gz KUSQHDZXQCXQLG-LBPRGKRZSA-N -1 3 386.416 0.735 20 0 GCADHM C[C@H](C(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1)n1cncn1 ZINC001573652254 947933044 /nfs/dbraw/zinc/93/30/44/947933044.db2.gz BWGOOJRFLYNMQG-NOZJJQNGSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@H](C(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1)n1cncn1 ZINC001573652254 947933051 /nfs/dbraw/zinc/93/30/51/947933051.db2.gz BWGOOJRFLYNMQG-NOZJJQNGSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1)n1cncn1 ZINC001573652257 947933640 /nfs/dbraw/zinc/93/36/40/947933640.db2.gz BWGOOJRFLYNMQG-ZANVPECISA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1)n1cncn1 ZINC001573652257 947933645 /nfs/dbraw/zinc/93/36/45/947933645.db2.gz BWGOOJRFLYNMQG-ZANVPECISA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573652411 947937259 /nfs/dbraw/zinc/93/72/59/947937259.db2.gz ZIBJDSHYLNRWQI-QAHWYCSRSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573652411 947937261 /nfs/dbraw/zinc/93/72/61/947937261.db2.gz ZIBJDSHYLNRWQI-QAHWYCSRSA-N -1 3 379.371 0.673 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573391802 947938836 /nfs/dbraw/zinc/93/88/36/947938836.db2.gz LASMJVNEPLMFGX-GFCCVEGCSA-N -1 3 391.407 0.123 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573391802 947938842 /nfs/dbraw/zinc/93/88/42/947938842.db2.gz LASMJVNEPLMFGX-GFCCVEGCSA-N -1 3 391.407 0.123 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573392053 947940197 /nfs/dbraw/zinc/94/01/97/947940197.db2.gz QCTQPHBRUXVYGZ-DOMZBBRYSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573392053 947940202 /nfs/dbraw/zinc/94/02/02/947940202.db2.gz QCTQPHBRUXVYGZ-DOMZBBRYSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392168 947943060 /nfs/dbraw/zinc/94/30/60/947943060.db2.gz UTKNDJHOVJYPKS-HNNXBMFYSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392168 947943062 /nfs/dbraw/zinc/94/30/62/947943062.db2.gz UTKNDJHOVJYPKS-HNNXBMFYSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573652658 947943528 /nfs/dbraw/zinc/94/35/28/947943528.db2.gz GACHPGKWYLPVMZ-JOYOIKCWSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573652658 947943534 /nfs/dbraw/zinc/94/35/34/947943534.db2.gz GACHPGKWYLPVMZ-JOYOIKCWSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573652681 947945364 /nfs/dbraw/zinc/94/53/64/947945364.db2.gz GJVHAOSPQQTHAX-ZYHUDNBSSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573652681 947945368 /nfs/dbraw/zinc/94/53/68/947945368.db2.gz GJVHAOSPQQTHAX-ZYHUDNBSSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573392432 947945959 /nfs/dbraw/zinc/94/59/59/947945959.db2.gz AUYHLVPQOFXJQG-OCCSQVGLSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573392432 947945962 /nfs/dbraw/zinc/94/59/62/947945962.db2.gz AUYHLVPQOFXJQG-OCCSQVGLSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573392434 947946688 /nfs/dbraw/zinc/94/66/88/947946688.db2.gz AUYHLVPQOFXJQG-TZMCWYRMSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573392434 947946696 /nfs/dbraw/zinc/94/66/96/947946696.db2.gz AUYHLVPQOFXJQG-TZMCWYRMSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)[C@@H](C)C1 ZINC001573392375 947947353 /nfs/dbraw/zinc/94/73/53/947947353.db2.gz AEPFUIYNWJTUQO-NHYWBVRUSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)[C@@H](C)C1 ZINC001573392375 947947359 /nfs/dbraw/zinc/94/73/59/947947359.db2.gz AEPFUIYNWJTUQO-NHYWBVRUSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001573392452 947949082 /nfs/dbraw/zinc/94/90/82/947949082.db2.gz AYQJYMNCNJCQBD-DZGCQCFKSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001573392452 947949092 /nfs/dbraw/zinc/94/90/92/947949092.db2.gz AYQJYMNCNJCQBD-DZGCQCFKSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573653071 947950421 /nfs/dbraw/zinc/95/04/21/947950421.db2.gz IYMFFGQVQGGFBV-NWDGAFQWSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573653071 947950429 /nfs/dbraw/zinc/95/04/29/947950429.db2.gz IYMFFGQVQGGFBV-NWDGAFQWSA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392709 947950556 /nfs/dbraw/zinc/95/05/56/947950556.db2.gz FRUZYEPIHAOJTP-TZMCWYRMSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392709 947950562 /nfs/dbraw/zinc/95/05/62/947950562.db2.gz FRUZYEPIHAOJTP-TZMCWYRMSA-N -1 3 386.460 0.637 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000826326026 947952337 /nfs/dbraw/zinc/95/23/37/947952337.db2.gz WDQYOBUBNKAQDD-GDBMZVCRSA-N -1 3 398.427 0.324 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000826326026 947952347 /nfs/dbraw/zinc/95/23/47/947952347.db2.gz WDQYOBUBNKAQDD-GDBMZVCRSA-N -1 3 398.427 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573392855 947952796 /nfs/dbraw/zinc/95/27/96/947952796.db2.gz GSKNWBBCNLZTRC-ABAIWWIYSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573392855 947952807 /nfs/dbraw/zinc/95/28/07/947952807.db2.gz GSKNWBBCNLZTRC-ABAIWWIYSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573392867 947952926 /nfs/dbraw/zinc/95/29/26/947952926.db2.gz GXENOYJWTXDAGV-AWEZNQCLSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573392867 947952934 /nfs/dbraw/zinc/95/29/34/947952934.db2.gz GXENOYJWTXDAGV-AWEZNQCLSA-N -1 3 386.460 0.781 20 0 GCADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccs1 ZINC001573653379 947955853 /nfs/dbraw/zinc/95/58/53/947955853.db2.gz LFDDIFGGHGFTDW-GXSJLCMTSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccs1 ZINC001573653379 947955856 /nfs/dbraw/zinc/95/58/56/947955856.db2.gz LFDDIFGGHGFTDW-GXSJLCMTSA-N -1 3 389.441 0.267 20 0 GCADHM Cc1ncc(C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(N)n1 ZINC000826329381 947958659 /nfs/dbraw/zinc/95/86/59/947958659.db2.gz AJPKAVUKGJASNY-AWEZNQCLSA-N -1 3 394.395 0.900 20 0 GCADHM Cc1ncc(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(N)n1 ZINC000826329381 947958665 /nfs/dbraw/zinc/95/86/65/947958665.db2.gz AJPKAVUKGJASNY-AWEZNQCLSA-N -1 3 394.395 0.900 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001573393662 947958826 /nfs/dbraw/zinc/95/88/26/947958826.db2.gz OSBKGNROHFBAQW-SKDRFNHKSA-N -1 3 392.489 0.901 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccs1 ZINC001573653666 947959001 /nfs/dbraw/zinc/95/90/01/947959001.db2.gz NDHZQYZOALGHFD-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccs1 ZINC001573653666 947959006 /nfs/dbraw/zinc/95/90/06/947959006.db2.gz NDHZQYZOALGHFD-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573393952 947960076 /nfs/dbraw/zinc/96/00/76/947960076.db2.gz RGEFGCMXYWOTHL-BXKDBHETSA-N -1 3 392.489 0.759 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccc1 ZINC001573654246 947963393 /nfs/dbraw/zinc/96/33/93/947963393.db2.gz QDFPIRHLJSYTFQ-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccc1 ZINC001573654246 947963400 /nfs/dbraw/zinc/96/34/00/947963400.db2.gz QDFPIRHLJSYTFQ-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573394424 947964604 /nfs/dbraw/zinc/96/46/04/947964604.db2.gz TZLIFOOJVPKRSR-AWEZNQCLSA-N -1 3 386.460 0.333 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573394424 947964611 /nfs/dbraw/zinc/96/46/11/947964611.db2.gz TZLIFOOJVPKRSR-AWEZNQCLSA-N -1 3 386.460 0.333 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC001573397810 947974194 /nfs/dbraw/zinc/97/41/94/947974194.db2.gz DLBJHXNEUKUNBN-CABCVRRESA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC001573397810 947974203 /nfs/dbraw/zinc/97/42/03/947974203.db2.gz DLBJHXNEUKUNBN-CABCVRRESA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573397603 947974381 /nfs/dbraw/zinc/97/43/81/947974381.db2.gz CPVDDKIWKLMRIA-BXUZGUMPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573397603 947974389 /nfs/dbraw/zinc/97/43/89/947974389.db2.gz CPVDDKIWKLMRIA-BXUZGUMPSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573655218 947974878 /nfs/dbraw/zinc/97/48/78/947974878.db2.gz WLUPVHDCDFQEKY-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573655218 947974881 /nfs/dbraw/zinc/97/48/81/947974881.db2.gz WLUPVHDCDFQEKY-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573397892 947976026 /nfs/dbraw/zinc/97/60/26/947976026.db2.gz FVRGASXLKIDIDY-ZDUSSCGKSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573397892 947976033 /nfs/dbraw/zinc/97/60/33/947976033.db2.gz FVRGASXLKIDIDY-ZDUSSCGKSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001573398170 947978200 /nfs/dbraw/zinc/97/82/00/947978200.db2.gz HULBVOHSTCEDKF-SFHVURJKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001573398170 947978206 /nfs/dbraw/zinc/97/82/06/947978206.db2.gz HULBVOHSTCEDKF-SFHVURJKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573398346 947979975 /nfs/dbraw/zinc/97/99/75/947979975.db2.gz KCAGXHZXCMVZHC-GJZGRUSLSA-N -1 3 387.419 0.269 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573398346 947979983 /nfs/dbraw/zinc/97/99/83/947979983.db2.gz KCAGXHZXCMVZHC-GJZGRUSLSA-N -1 3 387.419 0.269 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573398333 947980247 /nfs/dbraw/zinc/98/02/47/947980247.db2.gz JRVFQSSSUOYAKI-NXEZZACHSA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573398333 947980255 /nfs/dbraw/zinc/98/02/55/947980255.db2.gz JRVFQSSSUOYAKI-NXEZZACHSA-N -1 3 378.412 0.574 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573655790 947982231 /nfs/dbraw/zinc/98/22/31/947982231.db2.gz YVOKEGYLDWOQAY-NWDGAFQWSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573655757 947982571 /nfs/dbraw/zinc/98/25/71/947982571.db2.gz YSEQKOZSPGLQOO-ZWNOBZJWSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573655757 947982576 /nfs/dbraw/zinc/98/25/76/947982576.db2.gz YSEQKOZSPGLQOO-ZWNOBZJWSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573655992 947983280 /nfs/dbraw/zinc/98/32/80/947983280.db2.gz AZZIEAJYMGGSTN-XIKOKIGWSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573655992 947983285 /nfs/dbraw/zinc/98/32/85/947983285.db2.gz AZZIEAJYMGGSTN-XIKOKIGWSA-N -1 3 381.444 0.884 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573398818 947986796 /nfs/dbraw/zinc/98/67/96/947986796.db2.gz PJQQGAJMSHYVTE-KRWDZBQOSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573398818 947986799 /nfs/dbraw/zinc/98/67/99/947986799.db2.gz PJQQGAJMSHYVTE-KRWDZBQOSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573399020 947988696 /nfs/dbraw/zinc/98/86/96/947988696.db2.gz RYIUMMPAIQVGNA-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573399020 947988702 /nfs/dbraw/zinc/98/87/02/947988702.db2.gz RYIUMMPAIQVGNA-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573399220 947990735 /nfs/dbraw/zinc/99/07/35/947990735.db2.gz TYRKBRPYBDNBGZ-LLVKDONJSA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)c(C)n1)CC(C)C ZINC001573399580 947992481 /nfs/dbraw/zinc/99/24/81/947992481.db2.gz XCVGRORSVPFGFO-AWEZNQCLSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)c(C)n1)CC(C)C ZINC001573399580 947992492 /nfs/dbraw/zinc/99/24/92/947992492.db2.gz XCVGRORSVPFGFO-AWEZNQCLSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001573399635 947994869 /nfs/dbraw/zinc/99/48/69/947994869.db2.gz XZPOXNPXPPICPV-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001573399635 947994877 /nfs/dbraw/zinc/99/48/77/947994877.db2.gz XZPOXNPXPPICPV-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CC1(C)C ZINC001573401791 947997992 /nfs/dbraw/zinc/99/79/92/947997992.db2.gz CRXAZIMROJTCDG-CQSZACIVSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CC1(C)C ZINC001573401791 947997996 /nfs/dbraw/zinc/99/79/96/947997996.db2.gz CRXAZIMROJTCDG-CQSZACIVSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573401430 947998601 /nfs/dbraw/zinc/99/86/01/947998601.db2.gz BZPYGPINGLLSBO-ZDUSSCGKSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573401430 947998606 /nfs/dbraw/zinc/99/86/06/947998606.db2.gz BZPYGPINGLLSBO-ZDUSSCGKSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573401823 948000720 /nfs/dbraw/zinc/00/07/20/948000720.db2.gz DBCMXMZTBJKCBL-HIFRSBDPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573401823 948000731 /nfs/dbraw/zinc/00/07/31/948000731.db2.gz DBCMXMZTBJKCBL-HIFRSBDPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573402428 948002493 /nfs/dbraw/zinc/00/24/93/948002493.db2.gz GNRJFNRLFIGORX-CYBMUJFWSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573402428 948002501 /nfs/dbraw/zinc/00/25/01/948002501.db2.gz GNRJFNRLFIGORX-CYBMUJFWSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573657689 948003736 /nfs/dbraw/zinc/00/37/36/948003736.db2.gz OOINVXQPGKWSNY-PIGZYNQJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573657689 948003744 /nfs/dbraw/zinc/00/37/44/948003744.db2.gz OOINVXQPGKWSNY-PIGZYNQJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573657948 948004828 /nfs/dbraw/zinc/00/48/28/948004828.db2.gz QFFASOFWXOAYIY-MGPLVRAMSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573657948 948004837 /nfs/dbraw/zinc/00/48/37/948004837.db2.gz QFFASOFWXOAYIY-MGPLVRAMSA-N -1 3 386.395 0.339 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C)N(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573402779 948005135 /nfs/dbraw/zinc/00/51/35/948005135.db2.gz IEPPYCHHFZYIRR-JSGCOSHPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C)N(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573402779 948005145 /nfs/dbraw/zinc/00/51/45/948005145.db2.gz IEPPYCHHFZYIRR-JSGCOSHPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573403075 948008555 /nfs/dbraw/zinc/00/85/55/948008555.db2.gz LCVOFLKDXOUYED-AWEZNQCLSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573403075 948008565 /nfs/dbraw/zinc/00/85/65/948008565.db2.gz LCVOFLKDXOUYED-AWEZNQCLSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573403076 948008860 /nfs/dbraw/zinc/00/88/60/948008860.db2.gz LCVOFLKDXOUYED-CQSZACIVSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573403076 948008865 /nfs/dbraw/zinc/00/88/65/948008865.db2.gz LCVOFLKDXOUYED-CQSZACIVSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573403475 948010857 /nfs/dbraw/zinc/01/08/57/948010857.db2.gz NDSOBELHAUPYJQ-VXGBXAGGSA-N -1 3 392.489 0.949 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)[C@H]1C ZINC001573403764 948013069 /nfs/dbraw/zinc/01/30/69/948013069.db2.gz OGTPCKGKLTUOLA-SWLSCSKDSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)[C@H]1C ZINC001573403764 948013076 /nfs/dbraw/zinc/01/30/76/948013076.db2.gz OGTPCKGKLTUOLA-SWLSCSKDSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CC1(C)C ZINC001573404102 948015093 /nfs/dbraw/zinc/01/50/93/948015093.db2.gz PTZVBYGVGWNAQN-CYBMUJFWSA-N -1 3 390.423 0.210 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CC1(C)C ZINC001573404102 948015102 /nfs/dbraw/zinc/01/51/02/948015102.db2.gz PTZVBYGVGWNAQN-CYBMUJFWSA-N -1 3 390.423 0.210 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)[C@@H]1C ZINC001573404081 948015731 /nfs/dbraw/zinc/01/57/31/948015731.db2.gz PPGDQBAHYIEDSH-IUODEOHRSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)[C@@H]1C ZINC001573404081 948015738 /nfs/dbraw/zinc/01/57/38/948015738.db2.gz PPGDQBAHYIEDSH-IUODEOHRSA-N -1 3 386.460 0.522 20 0 GCADHM Cc1onc(CC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826344887 948016279 /nfs/dbraw/zinc/01/62/79/948016279.db2.gz VPTFBDBGZGINBB-YRGRVCCFSA-N -1 3 389.460 0.806 20 0 GCADHM Cc1onc(CC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826344887 948016286 /nfs/dbraw/zinc/01/62/86/948016286.db2.gz VPTFBDBGZGINBB-YRGRVCCFSA-N -1 3 389.460 0.806 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001573404096 948016461 /nfs/dbraw/zinc/01/64/61/948016461.db2.gz PTTFOWGMTDOGIQ-RISCZKNCSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001573404096 948016470 /nfs/dbraw/zinc/01/64/70/948016470.db2.gz PTTFOWGMTDOGIQ-RISCZKNCSA-N -1 3 389.435 0.958 20 0 GCADHM Cc1onc(CC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826344886 948016809 /nfs/dbraw/zinc/01/68/09/948016809.db2.gz VPTFBDBGZGINBB-SGMGOOAPSA-N -1 3 389.460 0.806 20 0 GCADHM Cc1onc(CC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826344886 948016818 /nfs/dbraw/zinc/01/68/18/948016818.db2.gz VPTFBDBGZGINBB-SGMGOOAPSA-N -1 3 389.460 0.806 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573404164 948017285 /nfs/dbraw/zinc/01/72/85/948017285.db2.gz QWLPESKSYUDZJQ-LBPRGKRZSA-N -1 3 392.489 0.585 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573404167 948017866 /nfs/dbraw/zinc/01/78/66/948017866.db2.gz QXYSRUSCQQFZNR-GFCCVEGCSA-N -1 3 377.474 0.487 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573404252 948019767 /nfs/dbraw/zinc/01/97/67/948019767.db2.gz BGSGHBMKHGIRKB-ZDUSSCGKSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573404252 948019773 /nfs/dbraw/zinc/01/97/73/948019773.db2.gz BGSGHBMKHGIRKB-ZDUSSCGKSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573404384 948022774 /nfs/dbraw/zinc/02/27/74/948022774.db2.gz SVKCHKBITOLTMQ-LLVKDONJSA-N -1 3 377.424 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573404384 948022783 /nfs/dbraw/zinc/02/27/83/948022783.db2.gz SVKCHKBITOLTMQ-LLVKDONJSA-N -1 3 377.424 0.421 20 0 GCADHM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573662435 948026459 /nfs/dbraw/zinc/02/64/59/948026459.db2.gz DXWGRMGTMXYRMC-GRZMOONWSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573662435 948026468 /nfs/dbraw/zinc/02/64/68/948026468.db2.gz DXWGRMGTMXYRMC-GRZMOONWSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573662434 948026722 /nfs/dbraw/zinc/02/67/22/948026722.db2.gz DXWGRMGTMXYRMC-BMQDGWLCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573662434 948026732 /nfs/dbraw/zinc/02/67/32/948026732.db2.gz DXWGRMGTMXYRMC-BMQDGWLCSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573404746 948031154 /nfs/dbraw/zinc/03/11/54/948031154.db2.gz VOLRDHHMKDQNHQ-UONOGXRCSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573404746 948031163 /nfs/dbraw/zinc/03/11/63/948031163.db2.gz VOLRDHHMKDQNHQ-UONOGXRCSA-N -1 3 386.460 0.888 20 0 GCADHM Cc1onc(CC(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)c1-c1nnn[n-]1 ZINC000826345882 948031621 /nfs/dbraw/zinc/03/16/21/948031621.db2.gz XATRTNVMPSQDQN-CYBMUJFWSA-N -1 3 389.460 0.855 20 0 GCADHM Cc1onc(CC(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)c1-c1nn[n-]n1 ZINC000826345882 948031630 /nfs/dbraw/zinc/03/16/30/948031630.db2.gz XATRTNVMPSQDQN-CYBMUJFWSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573663214 948035598 /nfs/dbraw/zinc/03/55/98/948035598.db2.gz KGTDRZAVEUSJSX-UEKVPHQBSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573663450 948036123 /nfs/dbraw/zinc/03/61/23/948036123.db2.gz LUOWRPZOHLYDAP-BMQDGWLCSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573663450 948036133 /nfs/dbraw/zinc/03/61/33/948036133.db2.gz LUOWRPZOHLYDAP-BMQDGWLCSA-N -1 3 386.395 0.560 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573405174 948039267 /nfs/dbraw/zinc/03/92/67/948039267.db2.gz ZSXKBALTIOJFRB-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573405174 948039276 /nfs/dbraw/zinc/03/92/76/948039276.db2.gz ZSXKBALTIOJFRB-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573405225 948040014 /nfs/dbraw/zinc/04/00/14/948040014.db2.gz ZZWMIXIHYQWQCF-NWDGAFQWSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573405216 948040258 /nfs/dbraw/zinc/04/02/58/948040258.db2.gz NAKSSDCTNJINQE-OAHLLOKOSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573405216 948040265 /nfs/dbraw/zinc/04/02/65/948040265.db2.gz NAKSSDCTNJINQE-OAHLLOKOSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573405547 948043907 /nfs/dbraw/zinc/04/39/07/948043907.db2.gz SYXODKADZWURAF-UHFFFAOYSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573405547 948043913 /nfs/dbraw/zinc/04/39/13/948043913.db2.gz SYXODKADZWURAF-UHFFFAOYSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573405576 948044215 /nfs/dbraw/zinc/04/42/15/948044215.db2.gz UEAANMWTOCHMIU-ZDUSSCGKSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573405576 948044224 /nfs/dbraw/zinc/04/42/24/948044224.db2.gz UEAANMWTOCHMIU-ZDUSSCGKSA-N -1 3 375.408 0.175 20 0 GCADHM C[C@@H](C(=O)NC1CCCCC1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573663887 948044470 /nfs/dbraw/zinc/04/44/70/948044470.db2.gz BEURSJWNGUTRFE-NSHDSACASA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CCCCC1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573663887 948044479 /nfs/dbraw/zinc/04/44/79/948044479.db2.gz BEURSJWNGUTRFE-NSHDSACASA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1(CO)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001573664022 948045503 /nfs/dbraw/zinc/04/55/03/948045503.db2.gz QZPPKXHIMREBCM-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC1(CO)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001573664022 948045510 /nfs/dbraw/zinc/04/55/10/948045510.db2.gz QZPPKXHIMREBCM-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573405677 948047847 /nfs/dbraw/zinc/04/78/47/948047847.db2.gz UKWSYJQNLPDBOL-UHFFFAOYSA-N -1 3 378.824 0.454 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573405677 948047859 /nfs/dbraw/zinc/04/78/59/948047859.db2.gz UKWSYJQNLPDBOL-UHFFFAOYSA-N -1 3 378.824 0.454 20 0 GCADHM Cc1onc(CC(=O)NCC2(N3CCOCC3)CCCCC2)c1-c1nnn[n-]1 ZINC000826346992 948049317 /nfs/dbraw/zinc/04/93/17/948049317.db2.gz AKOMENUPQBRVFS-UHFFFAOYSA-N -1 3 389.460 0.857 20 0 GCADHM Cc1onc(CC(=O)NCC2(N3CCOCC3)CCCCC2)c1-c1nn[n-]n1 ZINC000826346992 948049328 /nfs/dbraw/zinc/04/93/28/948049328.db2.gz AKOMENUPQBRVFS-UHFFFAOYSA-N -1 3 389.460 0.857 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573664329 948051818 /nfs/dbraw/zinc/05/18/18/948051818.db2.gz TWABDMOPOZJJFM-QMTHXVAHSA-N -1 3 386.460 0.302 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573406547 948054303 /nfs/dbraw/zinc/05/43/03/948054303.db2.gz KFWWQSFJGFMYHZ-TXEJJXNPSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573406547 948054309 /nfs/dbraw/zinc/05/43/09/948054309.db2.gz KFWWQSFJGFMYHZ-TXEJJXNPSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573406604 948055747 /nfs/dbraw/zinc/05/57/47/948055747.db2.gz NMVLTBYCPWZPMQ-CYBMUJFWSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573408116 948062722 /nfs/dbraw/zinc/06/27/22/948062722.db2.gz BINPIQIUBWDDQY-UMSPYCQHSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573408116 948062732 /nfs/dbraw/zinc/06/27/32/948062732.db2.gz BINPIQIUBWDDQY-UMSPYCQHSA-N -1 3 392.851 0.700 20 0 GCADHM Cc1onc(CC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1-c1nnn[n-]1 ZINC000826348167 948069007 /nfs/dbraw/zinc/06/90/07/948069007.db2.gz XYQJUFXIUKNYTD-UHFFFAOYSA-N -1 3 397.443 0.169 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573665440 948072938 /nfs/dbraw/zinc/07/29/38/948072938.db2.gz KURNOODIMRIBIR-WCQYABFASA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573665440 948072947 /nfs/dbraw/zinc/07/29/47/948072947.db2.gz KURNOODIMRIBIR-WCQYABFASA-N -1 3 386.460 0.446 20 0 GCADHM Cc1onc(CC(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1-c1nnn[n-]1 ZINC000826348357 948073211 /nfs/dbraw/zinc/07/32/11/948073211.db2.gz INTAEKXYKHLIGR-UHFFFAOYSA-N 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ZINC001573419899 948131073 /nfs/dbraw/zinc/13/10/73/948131073.db2.gz VCZIKKKIULMVBF-HNNXBMFYSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C)C1 ZINC001573419899 948131082 /nfs/dbraw/zinc/13/10/82/948131082.db2.gz VCZIKKKIULMVBF-HNNXBMFYSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573419958 948132869 /nfs/dbraw/zinc/13/28/69/948132869.db2.gz WPPIYWXGSIKFIC-KGLIPLIRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573419958 948132875 /nfs/dbraw/zinc/13/28/75/948132875.db2.gz WPPIYWXGSIKFIC-KGLIPLIRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)[C@@H]2C)C1 ZINC001573419979 948132926 /nfs/dbraw/zinc/13/29/26/948132926.db2.gz XETOXVLOJUMNQN-ABAIWWIYSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)[C@@H]2C)C1 ZINC001573419979 948132929 /nfs/dbraw/zinc/13/29/29/948132929.db2.gz XETOXVLOJUMNQN-ABAIWWIYSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573420930 948135891 /nfs/dbraw/zinc/13/58/91/948135891.db2.gz ABOOOFVLPRDGDL-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573420930 948135897 /nfs/dbraw/zinc/13/58/97/948135897.db2.gz ABOOOFVLPRDGDL-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573421418 948137701 /nfs/dbraw/zinc/13/77/01/948137701.db2.gz DTUBVHFBGSOVGR-GFCCVEGCSA-N -1 3 387.419 0.427 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573421418 948137710 /nfs/dbraw/zinc/13/77/10/948137710.db2.gz DTUBVHFBGSOVGR-GFCCVEGCSA-N -1 3 387.419 0.427 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2sccc2-c2nnn[n-]2)C1=O ZINC000826364348 948139476 /nfs/dbraw/zinc/13/94/76/948139476.db2.gz SREYYGANTXWKRI-NSHDSACASA-N -1 3 386.441 0.583 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2sccc2-c2nn[n-]n2)C1=O ZINC000826364348 948139481 /nfs/dbraw/zinc/13/94/81/948139481.db2.gz SREYYGANTXWKRI-NSHDSACASA-N -1 3 386.441 0.583 20 0 GCADHM Cn1ccnc1[C@@H](O)C1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826364083 948139969 /nfs/dbraw/zinc/13/99/69/948139969.db2.gz KMLLHHQQPSKZBG-HOTGVXAUSA-N -1 3 396.455 0.572 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001573422200 948140125 /nfs/dbraw/zinc/14/01/25/948140125.db2.gz IGYPIBIESBJQDG-UHFFFAOYSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001573422200 948140133 /nfs/dbraw/zinc/14/01/33/948140133.db2.gz IGYPIBIESBJQDG-UHFFFAOYSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NCCN(Cc2ccc(-c3nnn[n-]3)s2)C2CC2)C1 ZINC001573422202 948140275 /nfs/dbraw/zinc/14/02/75/948140275.db2.gz IIFRRRRFKABPOO-UHFFFAOYSA-N -1 3 389.485 0.487 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826364021 948140744 /nfs/dbraw/zinc/14/07/44/948140744.db2.gz IIMROAPRIDQGHU-AWEZNQCLSA-N -1 3 395.427 0.913 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826364021 948140747 /nfs/dbraw/zinc/14/07/47/948140747.db2.gz IIMROAPRIDQGHU-AWEZNQCLSA-N -1 3 395.427 0.913 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000826364496 948141276 /nfs/dbraw/zinc/14/12/76/948141276.db2.gz XXADTMVIOMCNIM-HNNXBMFYSA-N -1 3 394.439 0.450 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000826364496 948141282 /nfs/dbraw/zinc/14/12/82/948141282.db2.gz XXADTMVIOMCNIM-HNNXBMFYSA-N -1 3 394.439 0.450 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)C1=O ZINC000826364505 948142731 /nfs/dbraw/zinc/14/27/31/948142731.db2.gz YIKPFMBWUKBPLV-LLVKDONJSA-N -1 3 386.441 0.583 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)C1=O ZINC000826364505 948142733 /nfs/dbraw/zinc/14/27/33/948142733.db2.gz YIKPFMBWUKBPLV-LLVKDONJSA-N -1 3 386.441 0.583 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573423346 948145261 /nfs/dbraw/zinc/14/52/61/948145261.db2.gz OVATYEFPGRFAAI-ZDUSSCGKSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573423346 948145265 /nfs/dbraw/zinc/14/52/65/948145265.db2.gz OVATYEFPGRFAAI-ZDUSSCGKSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3ncc(-c4nnn[n-]4)cc3Cl)CC2)C1 ZINC001573423914 948145467 /nfs/dbraw/zinc/14/54/67/948145467.db2.gz RDXFGRRXORUVJK-UHFFFAOYSA-N -1 3 390.835 0.454 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3ncc(-c4nn[n-]n4)cc3Cl)CC2)C1 ZINC001573423914 948145472 /nfs/dbraw/zinc/14/54/72/948145472.db2.gz RDXFGRRXORUVJK-UHFFFAOYSA-N -1 3 390.835 0.454 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)C1 ZINC001573424241 948148169 /nfs/dbraw/zinc/14/81/69/948148169.db2.gz UYYHNDNYLHKLQM-TZMCWYRMSA-N -1 3 398.471 0.319 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)C1 ZINC001573424241 948148172 /nfs/dbraw/zinc/14/81/72/948148172.db2.gz UYYHNDNYLHKLQM-TZMCWYRMSA-N -1 3 398.471 0.319 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN2Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573424382 948149748 /nfs/dbraw/zinc/14/97/48/948149748.db2.gz ZHEUCLVOOFKLGC-HNNXBMFYSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN2Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573424382 948149752 /nfs/dbraw/zinc/14/97/52/948149752.db2.gz ZHEUCLVOOFKLGC-HNNXBMFYSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C2CC2)C1 ZINC001573424400 948151326 /nfs/dbraw/zinc/15/13/26/948151326.db2.gz ZUFNCBYTUURRIV-HNNXBMFYSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C2CC2)C1 ZINC001573424400 948151334 /nfs/dbraw/zinc/15/13/34/948151334.db2.gz ZUFNCBYTUURRIV-HNNXBMFYSA-N -1 3 384.444 0.355 20 0 GCADHM C[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573678564 948151505 /nfs/dbraw/zinc/15/15/05/948151505.db2.gz FEOOTGMNYBWTBG-CABZTGNLSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573678564 948151513 /nfs/dbraw/zinc/15/15/13/948151513.db2.gz FEOOTGMNYBWTBG-CABZTGNLSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)[C@@H]2C)C1 ZINC001573425769 948153096 /nfs/dbraw/zinc/15/30/96/948153096.db2.gz CGEQKMBYNJCFOE-ABAIWWIYSA-N -1 3 384.444 0.132 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)[C@@H]2C)C1 ZINC001573425769 948153103 /nfs/dbraw/zinc/15/31/03/948153103.db2.gz CGEQKMBYNJCFOE-ABAIWWIYSA-N -1 3 384.444 0.132 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573426889 948159672 /nfs/dbraw/zinc/15/96/72/948159672.db2.gz QCMFBQRYIZTXLH-MJHDQNEOSA-N -1 3 388.407 0.186 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573426889 948159675 /nfs/dbraw/zinc/15/96/75/948159675.db2.gz QCMFBQRYIZTXLH-MJHDQNEOSA-N -1 3 388.407 0.186 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573679261 948159839 /nfs/dbraw/zinc/15/98/39/948159839.db2.gz KHWUHVRYRPESPG-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573679261 948159844 /nfs/dbraw/zinc/15/98/44/948159844.db2.gz KHWUHVRYRPESPG-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)[C@H]1CCC(=O)N1 ZINC001573679594 948164534 /nfs/dbraw/zinc/16/45/34/948164534.db2.gz LGFCFHQJZQVBTP-MEBBXXQBSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)[C@H]1CCC(=O)N1 ZINC001573679594 948164540 /nfs/dbraw/zinc/16/45/40/948164540.db2.gz LGFCFHQJZQVBTP-MEBBXXQBSA-N -1 3 387.419 0.221 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573429395 948171030 /nfs/dbraw/zinc/17/10/30/948171030.db2.gz IBUINZANZRNLNU-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573429395 948171036 /nfs/dbraw/zinc/17/10/36/948171036.db2.gz IBUINZANZRNLNU-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573429374 948171330 /nfs/dbraw/zinc/17/13/30/948171330.db2.gz HVGAACOIADEYMG-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573429374 948171335 /nfs/dbraw/zinc/17/13/35/948171335.db2.gz HVGAACOIADEYMG-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)[C@H](C)CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573429371 948171774 /nfs/dbraw/zinc/17/17/74/948171774.db2.gz HRNYSBOGABLISA-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)[C@H](C)CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573429371 948171777 /nfs/dbraw/zinc/17/17/77/948171777.db2.gz HRNYSBOGABLISA-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573429714 948173406 /nfs/dbraw/zinc/17/34/06/948173406.db2.gz LDDWRPRCSDBISM-UHFFFAOYSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573429714 948173412 /nfs/dbraw/zinc/17/34/12/948173412.db2.gz LDDWRPRCSDBISM-UHFFFAOYSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CCC(C(=O)NCCN(C)Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573430083 948174688 /nfs/dbraw/zinc/17/46/88/948174688.db2.gz NFKMESBPGQHZMR-UHFFFAOYSA-N -1 3 391.501 0.735 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573430079 948175205 /nfs/dbraw/zinc/17/52/05/948175205.db2.gz NDTQMBGHRNYPTR-LLVKDONJSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573430079 948175210 /nfs/dbraw/zinc/17/52/10/948175210.db2.gz NDTQMBGHRNYPTR-LLVKDONJSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573430621 948177831 /nfs/dbraw/zinc/17/78/31/948177831.db2.gz RUEBPRDXTOZIPS-JTQLQIEISA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573430621 948177835 /nfs/dbraw/zinc/17/78/35/948177835.db2.gz RUEBPRDXTOZIPS-JTQLQIEISA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)CCCNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573431080 948179647 /nfs/dbraw/zinc/17/96/47/948179647.db2.gz UZWNAAGDTVZWOK-UHFFFAOYSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)CCCNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573431080 948179652 /nfs/dbraw/zinc/17/96/52/948179652.db2.gz UZWNAAGDTVZWOK-UHFFFAOYSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573431720 948182839 /nfs/dbraw/zinc/18/28/39/948182839.db2.gz ZNAGTPBONFYSSC-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573431720 948182849 /nfs/dbraw/zinc/18/28/49/948182849.db2.gz ZNAGTPBONFYSSC-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432414 948188265 /nfs/dbraw/zinc/18/82/65/948188265.db2.gz FKUNBYNFLCGZQE-KZULUSFZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432414 948188274 /nfs/dbraw/zinc/18/82/74/948188274.db2.gz FKUNBYNFLCGZQE-KZULUSFZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(CO[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001573432522 948189183 /nfs/dbraw/zinc/18/91/83/948189183.db2.gz DGQCUHDAMBTKGJ-AWEZNQCLSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CCC(CO[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001573432522 948189190 /nfs/dbraw/zinc/18/91/90/948189190.db2.gz DGQCUHDAMBTKGJ-AWEZNQCLSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573432523 948189764 /nfs/dbraw/zinc/18/97/64/948189764.db2.gz GQTJOHICPCDLOU-KZULUSFZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573432523 948189771 /nfs/dbraw/zinc/18/97/71/948189771.db2.gz GQTJOHICPCDLOU-KZULUSFZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573432520 948189876 /nfs/dbraw/zinc/18/98/76/948189876.db2.gz GQTJOHICPCDLOU-KPZWWZAWSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573432520 948189884 /nfs/dbraw/zinc/18/98/84/948189884.db2.gz GQTJOHICPCDLOU-KPZWWZAWSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432512 948189938 /nfs/dbraw/zinc/18/99/38/948189938.db2.gz GQKJRZSZRSFORT-XIKOKIGWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432512 948189945 /nfs/dbraw/zinc/18/99/45/948189945.db2.gz GQKJRZSZRSFORT-XIKOKIGWSA-N -1 3 386.460 0.684 20 0 GCADHM 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ZINC001573439802 948254865 /nfs/dbraw/zinc/25/48/65/948254865.db2.gz SNDUUWVXJVNBCS-JSGCOSHPSA-N -1 3 386.460 0.827 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000826417238 948259154 /nfs/dbraw/zinc/25/91/54/948259154.db2.gz JONPUCXJZSSMQB-OAHLLOKOSA-N -1 3 382.355 0.916 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cccn1 ZINC001573692228 948259157 /nfs/dbraw/zinc/25/91/57/948259157.db2.gz NEBAPXMOEZTKSY-GXSJLCMTSA-N -1 3 391.823 0.262 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cccn1 ZINC001573692228 948259169 /nfs/dbraw/zinc/25/91/69/948259169.db2.gz NEBAPXMOEZTKSY-GXSJLCMTSA-N -1 3 391.823 0.262 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cccn1 ZINC001573692230 948259391 /nfs/dbraw/zinc/25/93/91/948259391.db2.gz NEBAPXMOEZTKSY-KOLCDFICSA-N -1 3 391.823 0.262 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cccn1 ZINC001573692230 948259400 /nfs/dbraw/zinc/25/94/00/948259400.db2.gz NEBAPXMOEZTKSY-KOLCDFICSA-N -1 3 391.823 0.262 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCN(Cc2ccccn2)CC1 ZINC000826418943 948260250 /nfs/dbraw/zinc/26/02/50/948260250.db2.gz CQBJMOOBZHEPQE-UHFFFAOYSA-N -1 3 379.424 0.985 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCN(Cc2ccccn2)CC1 ZINC000826418943 948260258 /nfs/dbraw/zinc/26/02/58/948260258.db2.gz CQBJMOOBZHEPQE-UHFFFAOYSA-N -1 3 379.424 0.985 20 0 GCADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573440964 948262654 /nfs/dbraw/zinc/26/26/54/948262654.db2.gz CHXIQIWNGQIEMF-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573440964 948262664 /nfs/dbraw/zinc/26/26/64/948262664.db2.gz CHXIQIWNGQIEMF-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccs1 ZINC001573692491 948264241 /nfs/dbraw/zinc/26/42/41/948264241.db2.gz PFNJWTZPOWOCGM-GXSJLCMTSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccs1 ZINC001573692491 948264246 /nfs/dbraw/zinc/26/42/46/948264246.db2.gz PFNJWTZPOWOCGM-GXSJLCMTSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573692607 948270297 /nfs/dbraw/zinc/27/02/97/948270297.db2.gz QANRALLWWGXQFQ-CMPLNLGQSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573692607 948270304 /nfs/dbraw/zinc/27/03/04/948270304.db2.gz QANRALLWWGXQFQ-CMPLNLGQSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cnn(C)c1 ZINC001573692837 948271051 /nfs/dbraw/zinc/27/10/51/948271051.db2.gz SFBPEOSUPKGPAK-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cnn(C)c1 ZINC001573692837 948271057 /nfs/dbraw/zinc/27/10/57/948271057.db2.gz SFBPEOSUPKGPAK-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573692941 948273226 /nfs/dbraw/zinc/27/32/26/948273226.db2.gz TWBJUAKLFDTZFE-CMPLNLGQSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573692941 948273235 /nfs/dbraw/zinc/27/32/35/948273235.db2.gz TWBJUAKLFDTZFE-CMPLNLGQSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1)[C@@H]1CCC(=O)N1 ZINC001573693008 948276225 /nfs/dbraw/zinc/27/62/25/948276225.db2.gz UOIKQFJULQIBRL-CABZTGNLSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1)[C@@H]1CCC(=O)N1 ZINC001573693008 948276234 /nfs/dbraw/zinc/27/62/34/948276234.db2.gz UOIKQFJULQIBRL-CABZTGNLSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)c1cccnc1 ZINC001573693388 948281896 /nfs/dbraw/zinc/28/18/96/948281896.db2.gz SUONGTWLHOAFRT-ZWNOBZJWSA-N -1 3 386.391 0.489 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)c1cccnc1 ZINC001573693388 948281899 /nfs/dbraw/zinc/28/18/99/948281899.db2.gz SUONGTWLHOAFRT-ZWNOBZJWSA-N -1 3 386.391 0.489 20 0 GCADHM O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826435637 948289292 /nfs/dbraw/zinc/28/92/92/948289292.db2.gz SUIQKHFRXGVNKE-AWEZNQCLSA-N -1 3 386.412 0.997 20 0 GCADHM O=C(NC[C@H]1COC2(CCCCC2)O1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826435637 948289301 /nfs/dbraw/zinc/28/93/01/948289301.db2.gz SUIQKHFRXGVNKE-AWEZNQCLSA-N -1 3 386.412 0.997 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1ccccn1 ZINC000826435472 948289918 /nfs/dbraw/zinc/28/99/18/948289918.db2.gz PHBXANPKXAULES-UHFFFAOYSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1ccccn1 ZINC000826435472 948289922 /nfs/dbraw/zinc/28/99/22/948289922.db2.gz PHBXANPKXAULES-UHFFFAOYSA-N -1 3 380.412 0.872 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCCO1 ZINC001573694270 948291165 /nfs/dbraw/zinc/29/11/65/948291165.db2.gz CAFNIIWMTNFHEV-YPMHNXCESA-N -1 3 392.485 0.406 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC001573442342 948291672 /nfs/dbraw/zinc/29/16/72/948291672.db2.gz GXAMFZOJSCWTJI-OAHLLOKOSA-N -1 3 395.427 0.704 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC001573442342 948291682 /nfs/dbraw/zinc/29/16/82/948291682.db2.gz GXAMFZOJSCWTJI-OAHLLOKOSA-N -1 3 395.427 0.704 20 0 GCADHM CC(=O)N1CCC[C@@H](N2CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2=O)C1 ZINC001573442481 948292513 /nfs/dbraw/zinc/29/25/13/948292513.db2.gz IFXZHOVRLJDSPA-QGZVFWFLSA-N -1 3 383.456 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H](N2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2=O)C1 ZINC001573442481 948292523 /nfs/dbraw/zinc/29/25/23/948292523.db2.gz IFXZHOVRLJDSPA-QGZVFWFLSA-N -1 3 383.456 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573442419 948293371 /nfs/dbraw/zinc/29/33/71/948293371.db2.gz IBFBYAHVDPKMFC-ZIAGYGMSSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573442419 948293379 /nfs/dbraw/zinc/29/33/79/948293379.db2.gz IBFBYAHVDPKMFC-ZIAGYGMSSA-N -1 3 384.444 0.215 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCCc1ccc(CO)cc1 ZINC000826438050 948293681 /nfs/dbraw/zinc/29/36/81/948293681.db2.gz KZOYWLDLSBXYMS-UHFFFAOYSA-N -1 3 382.428 0.708 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCCc1ccc(CO)cc1 ZINC000826438050 948293688 /nfs/dbraw/zinc/29/36/88/948293688.db2.gz KZOYWLDLSBXYMS-UHFFFAOYSA-N -1 3 382.428 0.708 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442497 948294115 /nfs/dbraw/zinc/29/41/15/948294115.db2.gz IIYORCPKAGMIEW-IUODEOHRSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442497 948294124 /nfs/dbraw/zinc/29/41/24/948294124.db2.gz IIYORCPKAGMIEW-IUODEOHRSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573442417 948294304 /nfs/dbraw/zinc/29/43/04/948294304.db2.gz IBFBYAHVDPKMFC-KGLIPLIRSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573442417 948294310 /nfs/dbraw/zinc/29/43/10/948294310.db2.gz IBFBYAHVDPKMFC-KGLIPLIRSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccco1 ZINC001573694769 948298312 /nfs/dbraw/zinc/29/83/12/948298312.db2.gz DOWLBYJRWZQRLA-NSHDSACASA-N -1 3 388.453 0.988 20 0 GCADHM CC(=O)N1CCC[C@@H](N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2=O)C1 ZINC001573442687 948298838 /nfs/dbraw/zinc/29/88/38/948298838.db2.gz JYCHNPLLGVAONF-CYBMUJFWSA-N -1 3 387.419 0.665 20 0 GCADHM CC(=O)N1CCC[C@@H](N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2=O)C1 ZINC001573442687 948298847 /nfs/dbraw/zinc/29/88/47/948298847.db2.gz JYCHNPLLGVAONF-CYBMUJFWSA-N -1 3 387.419 0.665 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573442946 948300262 /nfs/dbraw/zinc/30/02/62/948300262.db2.gz KMOBMXZQOMKGGB-JOYOIKCWSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573442980 948302460 /nfs/dbraw/zinc/30/24/60/948302460.db2.gz LCIZAYFOUIWYMA-CMPLNLGQSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573442980 948302470 /nfs/dbraw/zinc/30/24/70/948302470.db2.gz LCIZAYFOUIWYMA-CMPLNLGQSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573695316 948305461 /nfs/dbraw/zinc/30/54/61/948305461.db2.gz GHBUVQWHKNPTAS-CQSZACIVSA-N -1 3 381.440 0.592 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573695316 948305471 /nfs/dbraw/zinc/30/54/71/948305471.db2.gz GHBUVQWHKNPTAS-CQSZACIVSA-N -1 3 381.440 0.592 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573443403 948305518 /nfs/dbraw/zinc/30/55/18/948305518.db2.gz NJIWNOVRIOLZFT-FZMZJTMJSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573443403 948305525 /nfs/dbraw/zinc/30/55/25/948305525.db2.gz NJIWNOVRIOLZFT-FZMZJTMJSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573444120 948312647 /nfs/dbraw/zinc/31/26/47/948312647.db2.gz RKDPTTVATVEJJI-GXTWGEPZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573444120 948312656 /nfs/dbraw/zinc/31/26/56/948312656.db2.gz RKDPTTVATVEJJI-GXTWGEPZSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573695968 948313166 /nfs/dbraw/zinc/31/31/66/948313166.db2.gz ZDHCNDOBRYJRRW-PWSUYJOCSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573695968 948313175 /nfs/dbraw/zinc/31/31/75/948313175.db2.gz ZDHCNDOBRYJRRW-PWSUYJOCSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCC1)S(C)(=O)=O ZINC001573696200 948320962 /nfs/dbraw/zinc/32/09/62/948320962.db2.gz LZPFDDZYKUIHBJ-JTQLQIEISA-N -1 3 379.446 0.146 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCC1)S(C)(=O)=O ZINC001573696200 948320966 /nfs/dbraw/zinc/32/09/66/948320966.db2.gz LZPFDDZYKUIHBJ-JTQLQIEISA-N -1 3 379.446 0.146 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573446241 948326930 /nfs/dbraw/zinc/32/69/30/948326930.db2.gz BKVCTJVTXQCQKF-OAHLLOKOSA-N -1 3 386.460 0.557 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573446241 948326937 /nfs/dbraw/zinc/32/69/37/948326937.db2.gz BKVCTJVTXQCQKF-OAHLLOKOSA-N -1 3 386.460 0.557 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573446426 948328440 /nfs/dbraw/zinc/32/84/40/948328440.db2.gz FOSFVHZSAGFELT-QGZVFWFLSA-N -1 3 383.456 0.520 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573446426 948328451 /nfs/dbraw/zinc/32/84/51/948328451.db2.gz FOSFVHZSAGFELT-QGZVFWFLSA-N -1 3 383.456 0.520 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573696630 948330440 /nfs/dbraw/zinc/33/04/40/948330440.db2.gz UAYONIXXRANVBH-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573696630 948330447 /nfs/dbraw/zinc/33/04/47/948330447.db2.gz UAYONIXXRANVBH-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573446562 948331977 /nfs/dbraw/zinc/33/19/77/948331977.db2.gz IUEJAQBDPNWPAC-CQSZACIVSA-N -1 3 388.407 0.060 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573446562 948331984 /nfs/dbraw/zinc/33/19/84/948331984.db2.gz IUEJAQBDPNWPAC-CQSZACIVSA-N -1 3 388.407 0.060 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573446565 948332394 /nfs/dbraw/zinc/33/23/94/948332394.db2.gz JCJCWTUREAWJCN-QGZVFWFLSA-N -1 3 383.456 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573446565 948332400 /nfs/dbraw/zinc/33/24/00/948332400.db2.gz JCJCWTUREAWJCN-QGZVFWFLSA-N -1 3 383.456 0.522 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573696816 948335179 /nfs/dbraw/zinc/33/51/79/948335179.db2.gz XKGHJHNVIIFNTK-YPMHNXCESA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573696816 948335184 /nfs/dbraw/zinc/33/51/84/948335184.db2.gz XKGHJHNVIIFNTK-YPMHNXCESA-N -1 3 384.444 0.627 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573446693 948335241 /nfs/dbraw/zinc/33/52/41/948335241.db2.gz MXSARSFZFKZHCD-DZGCQCFKSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573446693 948335249 /nfs/dbraw/zinc/33/52/49/948335249.db2.gz MXSARSFZFKZHCD-DZGCQCFKSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573446872 948338242 /nfs/dbraw/zinc/33/82/42/948338242.db2.gz QGSRUOPPLNENNK-GDBMZVCRSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573446872 948338248 /nfs/dbraw/zinc/33/82/48/948338248.db2.gz QGSRUOPPLNENNK-GDBMZVCRSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573447044 948340737 /nfs/dbraw/zinc/34/07/37/948340737.db2.gz SOCGFINLKMMMBX-DZGCQCFKSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573447044 948340744 /nfs/dbraw/zinc/34/07/44/948340744.db2.gz SOCGFINLKMMMBX-DZGCQCFKSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573703367 948354134 /nfs/dbraw/zinc/35/41/34/948354134.db2.gz JTJMTROKXDBSDN-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573703367 948354144 /nfs/dbraw/zinc/35/41/44/948354144.db2.gz JTJMTROKXDBSDN-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573703679 948356756 /nfs/dbraw/zinc/35/67/56/948356756.db2.gz LYXFXPANNCCQEW-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573703679 948356764 /nfs/dbraw/zinc/35/67/64/948356764.db2.gz LYXFXPANNCCQEW-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573703674 948357054 /nfs/dbraw/zinc/35/70/54/948357054.db2.gz LXYQBSJSNGVCNL-WFASDCNBSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001573704247 948367379 /nfs/dbraw/zinc/36/73/79/948367379.db2.gz QYSXHISDWLSRIA-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001573704247 948367388 /nfs/dbraw/zinc/36/73/88/948367388.db2.gz QYSXHISDWLSRIA-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573704415 948371592 /nfs/dbraw/zinc/37/15/92/948371592.db2.gz RWHLURBHENSCBN-IUODEOHRSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573704358 948372501 /nfs/dbraw/zinc/37/25/01/948372501.db2.gz ATVRFWOGYVBDMB-WDEREUQCSA-N -1 3 386.395 0.196 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573704358 948372506 /nfs/dbraw/zinc/37/25/06/948372506.db2.gz ATVRFWOGYVBDMB-WDEREUQCSA-N -1 3 386.395 0.196 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573704435 948373462 /nfs/dbraw/zinc/37/34/62/948373462.db2.gz SHQYKDQVCACCFG-IUODEOHRSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573704435 948373473 /nfs/dbraw/zinc/37/34/73/948373473.db2.gz SHQYKDQVCACCFG-IUODEOHRSA-N -1 3 381.444 0.884 20 0 GCADHM O=C1NC[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476399 948381570 /nfs/dbraw/zinc/38/15/70/948381570.db2.gz GUDDJCAKRVNNJZ-HUUCEWRRSA-N -1 3 382.428 0.072 20 0 GCADHM O=C1NC[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476399 948381577 /nfs/dbraw/zinc/38/15/77/948381577.db2.gz GUDDJCAKRVNNJZ-HUUCEWRRSA-N -1 3 382.428 0.072 20 0 GCADHM O=C1OC[C@H]2CN([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476391 948382435 /nfs/dbraw/zinc/38/24/35/948382435.db2.gz GLFVGSHNGCLYLB-HUUCEWRRSA-N -1 3 383.412 0.499 20 0 GCADHM O=C1OC[C@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476391 948382440 /nfs/dbraw/zinc/38/24/40/948382440.db2.gz GLFVGSHNGCLYLB-HUUCEWRRSA-N -1 3 383.412 0.499 20 0 GCADHM O=C1OCC[C@H]2CN([C@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476650 948382782 /nfs/dbraw/zinc/38/27/82/948382782.db2.gz LSLHQZNPBSJYTK-HOTGVXAUSA-N -1 3 397.439 0.889 20 0 GCADHM O=C1OCC[C@H]2CN([C@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476650 948382789 /nfs/dbraw/zinc/38/27/89/948382789.db2.gz LSLHQZNPBSJYTK-HOTGVXAUSA-N -1 3 397.439 0.889 20 0 GCADHM C[C@H](C(=O)NC/C=C/CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001573704913 948387322 /nfs/dbraw/zinc/38/73/22/948387322.db2.gz BUIGOWQFCNULAF-UFFNRZRYSA-N -1 3 383.416 0.134 20 0 GCADHM C[C@H](C(=O)NC/C=C/CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001573704913 948387327 /nfs/dbraw/zinc/38/73/27/948387327.db2.gz BUIGOWQFCNULAF-UFFNRZRYSA-N -1 3 383.416 0.134 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573705031 948389313 /nfs/dbraw/zinc/38/93/13/948389313.db2.gz FQQWEPIMJFZJTD-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573705031 948389317 /nfs/dbraw/zinc/38/93/17/948389317.db2.gz FQQWEPIMJFZJTD-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1CCNC(=O)C1 ZINC000826478401 948390609 /nfs/dbraw/zinc/39/06/09/948390609.db2.gz ARQDABALANMCQM-TZMCWYRMSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1CCNC(=O)C1 ZINC000826478401 948390618 /nfs/dbraw/zinc/39/06/18/948390618.db2.gz ARQDABALANMCQM-TZMCWYRMSA-N -1 3 384.396 0.432 20 0 GCADHM O=S(=O)(CCCN1CCOCC1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000826484948 948399673 /nfs/dbraw/zinc/39/96/73/948399673.db2.gz VTNBWTWJBRBIKS-UHFFFAOYSA-N -1 3 384.437 0.148 20 0 GCADHM O=S(=O)(CCCN1CCOCC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826484948 948399681 /nfs/dbraw/zinc/39/96/81/948399681.db2.gz VTNBWTWJBRBIKS-UHFFFAOYSA-N -1 3 384.437 0.148 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CCC1 ZINC001573705522 948401517 /nfs/dbraw/zinc/40/15/17/948401517.db2.gz ICHVDXHQVRUTKH-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CCC1 ZINC001573705522 948401522 /nfs/dbraw/zinc/40/15/22/948401522.db2.gz ICHVDXHQVRUTKH-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826489942 948402502 /nfs/dbraw/zinc/40/25/02/948402502.db2.gz FIDIHOUIUALSTK-NEPJUHHUSA-N -1 3 398.876 0.662 20 0 GCADHM O=S(=O)(NCCNc1nc2ccccn2c1-c1nn[n-]n1)c1cccs1 ZINC000826491354 948404918 /nfs/dbraw/zinc/40/49/18/948404918.db2.gz FVDMQADSOAWWKU-UHFFFAOYSA-N -1 3 390.454 0.966 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573706463 948418491 /nfs/dbraw/zinc/41/84/91/948418491.db2.gz KYQUHEIBLHCLOP-QWHCGFSZSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573706463 948418498 /nfs/dbraw/zinc/41/84/98/948418498.db2.gz KYQUHEIBLHCLOP-QWHCGFSZSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573706516 948421404 /nfs/dbraw/zinc/42/14/04/948421404.db2.gz LLAHJPBSSNHHGH-OLZOCXBDSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573706516 948421411 /nfs/dbraw/zinc/42/14/11/948421411.db2.gz LLAHJPBSSNHHGH-OLZOCXBDSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573706642 948422361 /nfs/dbraw/zinc/42/23/61/948422361.db2.gz JZJXSKFLLYTQBI-MWLCHTKSSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573706642 948422365 /nfs/dbraw/zinc/42/23/65/948422365.db2.gz JZJXSKFLLYTQBI-MWLCHTKSSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1)C1CC1 ZINC001573706879 948425748 /nfs/dbraw/zinc/42/57/48/948425748.db2.gz MMJUZFBQZZFKJE-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1)C1CC1 ZINC001573706879 948425754 /nfs/dbraw/zinc/42/57/54/948425754.db2.gz MMJUZFBQZZFKJE-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573706859 948427143 /nfs/dbraw/zinc/42/71/43/948427143.db2.gz MKEWINRRMKFQEL-LLVKDONJSA-N -1 3 380.412 0.582 20 0 GCADHM C[C@@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573706859 948427147 /nfs/dbraw/zinc/42/71/47/948427147.db2.gz MKEWINRRMKFQEL-LLVKDONJSA-N -1 3 380.412 0.582 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)n1cccc1 ZINC001573707590 948437006 /nfs/dbraw/zinc/43/70/06/948437006.db2.gz OTTGUIAKKKYJSY-ZFWWWQNUSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)n1cccc1 ZINC001573707590 948437011 /nfs/dbraw/zinc/43/70/11/948437011.db2.gz OTTGUIAKKKYJSY-ZFWWWQNUSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573707963 948441722 /nfs/dbraw/zinc/44/17/22/948441722.db2.gz QKOITZBDMJQOQD-DGCLKSJQSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573707963 948441725 /nfs/dbraw/zinc/44/17/25/948441725.db2.gz QKOITZBDMJQOQD-DGCLKSJQSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001573708090 948443133 /nfs/dbraw/zinc/44/31/33/948443133.db2.gz RNUONGDSGIOKQT-ZFWWWQNUSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001573708090 948443137 /nfs/dbraw/zinc/44/31/37/948443137.db2.gz RNUONGDSGIOKQT-ZFWWWQNUSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573708478 948451225 /nfs/dbraw/zinc/45/12/25/948451225.db2.gz VGBWMCFKGWBYQP-CMPLNLGQSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573708478 948451230 /nfs/dbraw/zinc/45/12/30/948451230.db2.gz VGBWMCFKGWBYQP-CMPLNLGQSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573708511 948451385 /nfs/dbraw/zinc/45/13/85/948451385.db2.gz VYIAGEJMLMAKHR-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573708511 948451390 /nfs/dbraw/zinc/45/13/90/948451390.db2.gz VYIAGEJMLMAKHR-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1)C1CC1 ZINC001573708589 948453253 /nfs/dbraw/zinc/45/32/53/948453253.db2.gz WAZMSDCWKVQPNF-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1)C1CC1 ZINC001573708589 948453261 /nfs/dbraw/zinc/45/32/61/948453261.db2.gz WAZMSDCWKVQPNF-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)c1ccco1 ZINC001573708655 948455839 /nfs/dbraw/zinc/45/58/39/948455839.db2.gz WVQSVWNIYAAVSG-GXTWGEPZSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)c1ccco1 ZINC001573708655 948455844 /nfs/dbraw/zinc/45/58/44/948455844.db2.gz WVQSVWNIYAAVSG-GXTWGEPZSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1)C1CC1 ZINC001573708839 948460258 /nfs/dbraw/zinc/46/02/58/948460258.db2.gz YLICVUPSMFBJID-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1)C1CC1 ZINC001573708839 948460262 /nfs/dbraw/zinc/46/02/62/948460262.db2.gz YLICVUPSMFBJID-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)[C@H]1CCCO1 ZINC001573714703 948474913 /nfs/dbraw/zinc/47/49/13/948474913.db2.gz JBNSATVHQFNLTK-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)[C@H]1CCCO1 ZINC001573714703 948474915 /nfs/dbraw/zinc/47/49/15/948474915.db2.gz JBNSATVHQFNLTK-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCC[C@@H]1N1CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573716270 948498354 /nfs/dbraw/zinc/49/83/54/948498354.db2.gz FBYYKZSPNUMCGI-IHRRRGAJSA-N -1 3 389.464 0.026 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573718653 948516952 /nfs/dbraw/zinc/51/69/52/948516952.db2.gz IOTSRZDFHOZCMD-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573718653 948516958 /nfs/dbraw/zinc/51/69/58/948516958.db2.gz IOTSRZDFHOZCMD-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](C(=O)NCCN1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1)C1CC1 ZINC001573719193 948522617 /nfs/dbraw/zinc/52/26/17/948522617.db2.gz KVYDJRIMNZFAAC-LBPRGKRZSA-N -1 3 385.476 0.117 20 0 GCADHM C[C@H](C(=O)NCCN1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)C1CC1 ZINC001573719193 948522623 /nfs/dbraw/zinc/52/26/23/948522623.db2.gz KVYDJRIMNZFAAC-LBPRGKRZSA-N -1 3 385.476 0.117 20 0 GCADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573720174 948532639 /nfs/dbraw/zinc/53/26/39/948532639.db2.gz PQXMBJGBEPAGLW-SECBINFHSA-N -1 3 376.812 0.320 20 0 GCADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573720174 948532645 /nfs/dbraw/zinc/53/26/45/948532645.db2.gz PQXMBJGBEPAGLW-SECBINFHSA-N -1 3 376.812 0.320 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573720712 948534079 /nfs/dbraw/zinc/53/40/79/948534079.db2.gz SERQGVZRRBHSDW-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573720712 948534086 /nfs/dbraw/zinc/53/40/86/948534086.db2.gz SERQGVZRRBHSDW-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM O=S(=O)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001475660465 948534693 /nfs/dbraw/zinc/53/46/93/948534693.db2.gz IBNKGRXXBWVGBI-ZDMBXUJBSA-N -1 3 385.833 0.602 20 0 GCADHM O=S(=O)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001475660465 948534702 /nfs/dbraw/zinc/53/47/02/948534702.db2.gz IBNKGRXXBWVGBI-ZDMBXUJBSA-N -1 3 385.833 0.602 20 0 GCADHM C[C@H](C(=O)NCCN1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001573720961 948536200 /nfs/dbraw/zinc/53/62/00/948536200.db2.gz TZAKTZDDTVXELY-LBPRGKRZSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1)c1cnn(C)c1 ZINC001573721306 948540513 /nfs/dbraw/zinc/54/05/13/948540513.db2.gz WWDIJOSRCAPLCQ-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1)c1cnn(C)c1 ZINC001573721306 948540522 /nfs/dbraw/zinc/54/05/22/948540522.db2.gz WWDIJOSRCAPLCQ-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573728437 948561677 /nfs/dbraw/zinc/56/16/77/948561677.db2.gz FHHPRDXINOTFSN-MNXVOIDGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573728437 948561685 /nfs/dbraw/zinc/56/16/85/948561685.db2.gz FHHPRDXINOTFSN-MNXVOIDGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573728818 948563888 /nfs/dbraw/zinc/56/38/88/948563888.db2.gz RCDHDYSFDPALCW-UTUOFQBUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573728818 948563899 /nfs/dbraw/zinc/56/38/99/948563899.db2.gz RCDHDYSFDPALCW-UTUOFQBUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573728810 948564364 /nfs/dbraw/zinc/56/43/64/948564364.db2.gz RCDHDYSFDPALCW-SDDRHHMPSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573728810 948564368 /nfs/dbraw/zinc/56/43/68/948564368.db2.gz RCDHDYSFDPALCW-SDDRHHMPSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573729901 948573197 /nfs/dbraw/zinc/57/31/97/948573197.db2.gz WDEJCIHZULFVQE-FOGDFJRCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573729901 948573201 /nfs/dbraw/zinc/57/32/01/948573201.db2.gz WDEJCIHZULFVQE-FOGDFJRCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NCc1cncc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001573731323 948589801 /nfs/dbraw/zinc/58/98/01/948589801.db2.gz VQUDRPPVPSBTBU-JTQLQIEISA-N -1 3 390.400 0.879 20 0 GCADHM C[C@@H](C(=O)NCc1cncc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001573731323 948589810 /nfs/dbraw/zinc/58/98/10/948589810.db2.gz VQUDRPPVPSBTBU-JTQLQIEISA-N -1 3 390.400 0.879 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)c1cncnc1 ZINC001573732878 948610525 /nfs/dbraw/zinc/61/05/25/948610525.db2.gz ZYXXJAOZDDRCCC-QWRGUYRKSA-N -1 3 383.416 0.413 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)c1cncnc1 ZINC001573732878 948610529 /nfs/dbraw/zinc/61/05/29/948610529.db2.gz ZYXXJAOZDDRCCC-QWRGUYRKSA-N -1 3 383.416 0.413 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573736498 948616519 /nfs/dbraw/zinc/61/65/19/948616519.db2.gz YPEODNNFVVQVPV-SMDDNHRTSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C)n1cncn1 ZINC001573739523 948619451 /nfs/dbraw/zinc/61/94/51/948619451.db2.gz DOGCBRIOQIOIPR-GBIKHYSHSA-N -1 3 386.395 0.194 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C)n1cncn1 ZINC001573739523 948619457 /nfs/dbraw/zinc/61/94/57/948619457.db2.gz DOGCBRIOQIOIPR-GBIKHYSHSA-N -1 3 386.395 0.194 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1O)C1CC1 ZINC001573740055 948627261 /nfs/dbraw/zinc/62/72/61/948627261.db2.gz KDSHNYMVIAMKHX-ZEGGKSINSA-N -1 3 377.836 0.627 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1O)C1CC1 ZINC001573740055 948627265 /nfs/dbraw/zinc/62/72/65/948627265.db2.gz KDSHNYMVIAMKHX-ZEGGKSINSA-N -1 3 377.836 0.627 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)C(C)(F)F ZINC001573740103 948628333 /nfs/dbraw/zinc/62/83/33/948628333.db2.gz DISWOQBNSWJQSO-UISBYWKRSA-N -1 3 384.362 0.963 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)C(C)(F)F ZINC001573740103 948628338 /nfs/dbraw/zinc/62/83/38/948628338.db2.gz DISWOQBNSWJQSO-UISBYWKRSA-N -1 3 384.362 0.963 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C)n1cccn1 ZINC001573742370 948660934 /nfs/dbraw/zinc/66/09/34/948660934.db2.gz LKVKQPSCRICIPS-WZRBSPASSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C)n1cccn1 ZINC001573742370 948660937 /nfs/dbraw/zinc/66/09/37/948660937.db2.gz LKVKQPSCRICIPS-WZRBSPASSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573745248 948670984 /nfs/dbraw/zinc/67/09/84/948670984.db2.gz DEKXMXQKQXRCAN-BZPMIXESSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573745248 948670989 /nfs/dbraw/zinc/67/09/89/948670989.db2.gz DEKXMXQKQXRCAN-BZPMIXESSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573745609 948674219 /nfs/dbraw/zinc/67/42/19/948674219.db2.gz FKBLTPLXMCWQTB-WCFLWFBJSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573745609 948674227 /nfs/dbraw/zinc/67/42/27/948674227.db2.gz FKBLTPLXMCWQTB-WCFLWFBJSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573746116 948679105 /nfs/dbraw/zinc/67/91/05/948679105.db2.gz JPZNBJURCUWMID-JLLWLGSASA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573746116 948679110 /nfs/dbraw/zinc/67/91/10/948679110.db2.gz JPZNBJURCUWMID-JLLWLGSASA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573746933 948687474 /nfs/dbraw/zinc/68/74/74/948687474.db2.gz RKFNZPSYHXQUQP-AVGNSLFASA-N -1 3 382.432 0.954 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573746933 948687481 /nfs/dbraw/zinc/68/74/81/948687481.db2.gz RKFNZPSYHXQUQP-AVGNSLFASA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573748503 948695528 /nfs/dbraw/zinc/69/55/28/948695528.db2.gz UXEJRPVASWVBCZ-NQBHXWOUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573748503 948695535 /nfs/dbraw/zinc/69/55/35/948695535.db2.gz UXEJRPVASWVBCZ-NQBHXWOUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573748861 948697943 /nfs/dbraw/zinc/69/79/43/948697943.db2.gz VUVNKYPDSWNLKA-BPNCWPANSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573748861 948697947 /nfs/dbraw/zinc/69/79/47/948697947.db2.gz VUVNKYPDSWNLKA-BPNCWPANSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573749505 948700795 /nfs/dbraw/zinc/70/07/95/948700795.db2.gz ZWZAUGNWIHYLTL-WCFLWFBJSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573749505 948700800 /nfs/dbraw/zinc/70/08/00/948700800.db2.gz ZWZAUGNWIHYLTL-WCFLWFBJSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573749503 948700984 /nfs/dbraw/zinc/70/09/84/948700984.db2.gz ZWZAUGNWIHYLTL-RTXFEEFZSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573749503 948700988 /nfs/dbraw/zinc/70/09/88/948700988.db2.gz ZWZAUGNWIHYLTL-RTXFEEFZSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573751541 948702560 /nfs/dbraw/zinc/70/25/60/948702560.db2.gz BBPURHZEEGDMNU-GHYVTOPFSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573751541 948702569 /nfs/dbraw/zinc/70/25/69/948702569.db2.gz BBPURHZEEGDMNU-GHYVTOPFSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)n1cccc1 ZINC001573751833 948704644 /nfs/dbraw/zinc/70/46/44/948704644.db2.gz FEZMXGMZGBHZPM-FJJYHAOUSA-N -1 3 380.412 0.444 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)n1cccc1 ZINC001573751833 948704650 /nfs/dbraw/zinc/70/46/50/948704650.db2.gz FEZMXGMZGBHZPM-FJJYHAOUSA-N -1 3 380.412 0.444 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573751935 948708371 /nfs/dbraw/zinc/70/83/71/948708371.db2.gz IJYFPJKHLAEJCB-RZFFKMDDSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573751935 948708380 /nfs/dbraw/zinc/70/83/80/948708380.db2.gz IJYFPJKHLAEJCB-RZFFKMDDSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)[C@@H]1CCCO1 ZINC001573753697 948720301 /nfs/dbraw/zinc/72/03/01/948720301.db2.gz WZZKZMHBPRRDST-FWTMIXAASA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)[C@@H]1CCCO1 ZINC001573753697 948720310 /nfs/dbraw/zinc/72/03/10/948720310.db2.gz WZZKZMHBPRRDST-FWTMIXAASA-N -1 3 385.428 0.197 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1CCOC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001574075872 948749673 /nfs/dbraw/zinc/74/96/73/948749673.db2.gz ZRGYFKMOTFYMAV-CYBMUJFWSA-N -1 3 391.407 0.242 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1CCOC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001574075872 948749682 /nfs/dbraw/zinc/74/96/82/948749682.db2.gz ZRGYFKMOTFYMAV-CYBMUJFWSA-N -1 3 391.407 0.242 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)cn1 ZINC001574416541 948751833 /nfs/dbraw/zinc/75/18/33/948751833.db2.gz XJKAFCVSVHYKPH-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)cn1 ZINC001574416541 948751840 /nfs/dbraw/zinc/75/18/40/948751840.db2.gz XJKAFCVSVHYKPH-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM C[C@H](C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1)[C@H](C)S(C)(=O)=O ZINC001573755286 948761347 /nfs/dbraw/zinc/76/13/47/948761347.db2.gz OGTVQEXZBBPRKR-UWVGGRQHSA-N -1 3 390.429 0.455 20 0 GCADHM C[C@H](C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1)[C@H](C)S(C)(=O)=O ZINC001573755286 948761357 /nfs/dbraw/zinc/76/13/57/948761357.db2.gz OGTVQEXZBBPRKR-UWVGGRQHSA-N -1 3 390.429 0.455 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575223554 948767304 /nfs/dbraw/zinc/76/73/04/948767304.db2.gz DOKCTOREMFXSCM-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575223554 948767318 /nfs/dbraw/zinc/76/73/18/948767318.db2.gz DOKCTOREMFXSCM-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001574679173 948768925 /nfs/dbraw/zinc/76/89/25/948768925.db2.gz POWZHQKCSWNGSD-UWVGGRQHSA-N -1 3 383.420 0.202 20 0 GCADHM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001574679173 948768940 /nfs/dbraw/zinc/76/89/40/948768940.db2.gz POWZHQKCSWNGSD-UWVGGRQHSA-N -1 3 383.420 0.202 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001574417472 948770995 /nfs/dbraw/zinc/77/09/95/948770995.db2.gz ONCAKIWGRQFDIP-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574417472 948771005 /nfs/dbraw/zinc/77/10/05/948771005.db2.gz ONCAKIWGRQFDIP-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)[C@@H](NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1)c1nncn1C ZINC001574079605 948774724 /nfs/dbraw/zinc/77/47/24/948774724.db2.gz LNWKQPAGZNWLRJ-GFCCVEGCSA-N -1 3 380.409 0.810 20 0 GCADHM CC(C)[C@@H](NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1)c1nncn1C ZINC001574079605 948774730 /nfs/dbraw/zinc/77/47/30/948774730.db2.gz LNWKQPAGZNWLRJ-GFCCVEGCSA-N -1 3 380.409 0.810 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575224238 948778930 /nfs/dbraw/zinc/77/89/30/948778930.db2.gz KPJYALQATKKKDY-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575224238 948778946 /nfs/dbraw/zinc/77/89/46/948778946.db2.gz KPJYALQATKKKDY-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(C)[C@@H](NS(=O)(=O)Cc1csc(-c2nnn[n-]2)c1)c1nncn1C ZINC001574079967 948779402 /nfs/dbraw/zinc/77/94/02/948779402.db2.gz MIJPMHWBNHYOFN-LLVKDONJSA-N -1 3 382.475 0.873 20 0 GCADHM CC(F)(F)C1(C(=O)NCC2(O)CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC001575224315 948780372 /nfs/dbraw/zinc/78/03/72/948780372.db2.gz SZQZEYSEGGDQJW-UHFFFAOYSA-N -1 3 392.410 0.965 20 0 GCADHM CC(F)(F)C1(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001575224315 948780385 /nfs/dbraw/zinc/78/03/85/948780385.db2.gz SZQZEYSEGGDQJW-UHFFFAOYSA-N -1 3 392.410 0.965 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001575224742 948791065 /nfs/dbraw/zinc/79/10/65/948791065.db2.gz QRBSLIGKSWEGNF-PHIMTYICSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001575224742 948791071 /nfs/dbraw/zinc/79/10/71/948791071.db2.gz QRBSLIGKSWEGNF-PHIMTYICSA-N -1 3 379.371 0.771 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574080432 948792274 /nfs/dbraw/zinc/79/22/74/948792274.db2.gz KGCQLIVCACHFTM-CYBMUJFWSA-N -1 3 391.455 0.643 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574080432 948792283 /nfs/dbraw/zinc/79/22/83/948792283.db2.gz KGCQLIVCACHFTM-CYBMUJFWSA-N -1 3 391.455 0.643 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917037 948800974 /nfs/dbraw/zinc/80/09/74/948800974.db2.gz PJMDHEQENRKIEC-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917037 948800988 /nfs/dbraw/zinc/80/09/88/948800988.db2.gz PJMDHEQENRKIEC-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917006 948801372 /nfs/dbraw/zinc/80/13/72/948801372.db2.gz OPIWGHFEALMNTB-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917006 948801392 /nfs/dbraw/zinc/80/13/92/948801392.db2.gz OPIWGHFEALMNTB-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917026 948802481 /nfs/dbraw/zinc/80/24/81/948802481.db2.gz PAVOZKMSFFDGHW-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917026 948802504 /nfs/dbraw/zinc/80/25/04/948802504.db2.gz PAVOZKMSFFDGHW-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917087 948804592 /nfs/dbraw/zinc/80/45/92/948804592.db2.gz QPGNOHFYDJJOBT-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917087 948804604 /nfs/dbraw/zinc/80/46/04/948804604.db2.gz QPGNOHFYDJJOBT-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917088 948805007 /nfs/dbraw/zinc/80/50/07/948805007.db2.gz QPGNOHFYDJJOBT-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917088 948805025 /nfs/dbraw/zinc/80/50/25/948805025.db2.gz QPGNOHFYDJJOBT-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1O ZINC001574081068 948812049 /nfs/dbraw/zinc/81/20/49/948812049.db2.gz PBYJJXBZSFJGIF-IJLUTSLNSA-N -1 3 383.815 0.575 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1O ZINC001574081068 948812067 /nfs/dbraw/zinc/81/20/67/948812067.db2.gz PBYJJXBZSFJGIF-IJLUTSLNSA-N -1 3 383.815 0.575 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917274 948816363 /nfs/dbraw/zinc/81/63/63/948816363.db2.gz VVCRGLRLLACOCR-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917274 948816380 /nfs/dbraw/zinc/81/63/80/948816380.db2.gz VVCRGLRLLACOCR-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1cn(C)nn1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574917465 948817846 /nfs/dbraw/zinc/81/78/46/948817846.db2.gz YELGZVLGQUVHFS-NSHDSACASA-N -1 3 387.423 0.931 20 0 GCADHM C[C@H](CNC(=O)CCc1cn(C)nn1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574917465 948817864 /nfs/dbraw/zinc/81/78/64/948817864.db2.gz YELGZVLGQUVHFS-NSHDSACASA-N -1 3 387.423 0.931 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)[C@H]1CCCO1 ZINC001573756871 948822502 /nfs/dbraw/zinc/82/25/02/948822502.db2.gz UWDKZUIAPOJNNU-PRHQYYMVSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)[C@H]1CCCO1 ZINC001573756871 948822519 /nfs/dbraw/zinc/82/25/19/948822519.db2.gz UWDKZUIAPOJNNU-PRHQYYMVSA-N -1 3 387.419 0.767 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574081202 948823637 /nfs/dbraw/zinc/82/36/37/948823637.db2.gz QYJFFUUZPJFOTP-CQSZACIVSA-N -1 3 392.439 0.063 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574081202 948823644 /nfs/dbraw/zinc/82/36/44/948823644.db2.gz QYJFFUUZPJFOTP-CQSZACIVSA-N -1 3 392.439 0.063 20 0 GCADHM CC(C)[C@H](O)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574081230 948824114 /nfs/dbraw/zinc/82/41/14/948824114.db2.gz YSYJIVHURZQYHK-CQSZACIVSA-N -1 3 381.458 0.305 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574917995 948830591 /nfs/dbraw/zinc/83/05/91/948830591.db2.gz FEEOPBMIBWPZTG-NSHDSACASA-N -1 3 381.462 0.027 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574917995 948830604 /nfs/dbraw/zinc/83/06/04/948830604.db2.gz FEEOPBMIBWPZTG-NSHDSACASA-N -1 3 381.462 0.027 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001574081727 948835313 /nfs/dbraw/zinc/83/53/13/948835313.db2.gz VXZVNDXCUCOZFY-AWEZNQCLSA-N -1 3 376.440 0.494 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001574081727 948835332 /nfs/dbraw/zinc/83/53/32/948835332.db2.gz VXZVNDXCUCOZFY-AWEZNQCLSA-N -1 3 376.440 0.494 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574081662 948836398 /nfs/dbraw/zinc/83/63/98/948836398.db2.gz VIGWMRCENPCVIW-AWEZNQCLSA-N -1 3 392.439 0.063 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574081662 948836412 /nfs/dbraw/zinc/83/64/12/948836412.db2.gz VIGWMRCENPCVIW-AWEZNQCLSA-N -1 3 392.439 0.063 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575229257 948840777 /nfs/dbraw/zinc/84/07/77/948840777.db2.gz DYRZDRVTPOWUFV-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575229257 948840794 /nfs/dbraw/zinc/84/07/94/948840794.db2.gz DYRZDRVTPOWUFV-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(C)(C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573761289 948841326 /nfs/dbraw/zinc/84/13/26/948841326.db2.gz GGDGDAZKIJNOFU-UHFFFAOYSA-N -1 3 385.350 0.972 20 0 GCADHM CC(C)(C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573761289 948841338 /nfs/dbraw/zinc/84/13/38/948841338.db2.gz GGDGDAZKIJNOFU-UHFFFAOYSA-N -1 3 385.350 0.972 20 0 GCADHM CC(F)(F)CC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575229307 948842387 /nfs/dbraw/zinc/84/23/87/948842387.db2.gz HEBHCXYYPIOOKG-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575229307 948842401 /nfs/dbraw/zinc/84/24/01/948842401.db2.gz HEBHCXYYPIOOKG-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575229283 948843861 /nfs/dbraw/zinc/84/38/61/948843861.db2.gz GKPNLJXETKXURT-SNVBAGLBSA-N -1 3 385.350 0.768 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575229283 948843879 /nfs/dbraw/zinc/84/38/79/948843879.db2.gz GKPNLJXETKXURT-SNVBAGLBSA-N -1 3 385.350 0.768 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001575229341 948845664 /nfs/dbraw/zinc/84/56/64/948845664.db2.gz IJUYKMFKWUJVNO-OLZOCXBDSA-N -1 3 384.362 0.712 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574684032 948853937 /nfs/dbraw/zinc/85/39/37/948853937.db2.gz AKBHTLXFFJVHKE-VHSXEESVSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574684032 948853955 /nfs/dbraw/zinc/85/39/55/948853955.db2.gz AKBHTLXFFJVHKE-VHSXEESVSA-N -1 3 376.396 0.234 20 0 GCADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573762307 948855129 /nfs/dbraw/zinc/85/51/29/948855129.db2.gz SIRYPMJDPGKYKO-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573762307 948855148 /nfs/dbraw/zinc/85/51/48/948855148.db2.gz SIRYPMJDPGKYKO-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574684232 948861040 /nfs/dbraw/zinc/86/10/40/948861040.db2.gz CFSXVKMOVSZVND-VHSXEESVSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574684232 948861061 /nfs/dbraw/zinc/86/10/61/948861061.db2.gz CFSXVKMOVSZVND-VHSXEESVSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574684292 948864752 /nfs/dbraw/zinc/86/47/52/948864752.db2.gz DEVCBFZZFVTASC-VHSXEESVSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574684292 948864767 /nfs/dbraw/zinc/86/47/67/948864767.db2.gz DEVCBFZZFVTASC-VHSXEESVSA-N -1 3 392.851 0.748 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)c1cnc[nH]1 ZINC001573763070 948864995 /nfs/dbraw/zinc/86/49/95/948864995.db2.gz ABQVXNCMDBSHHO-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)c1cnc[nH]1 ZINC001573763070 948865008 /nfs/dbraw/zinc/86/50/08/948865008.db2.gz ABQVXNCMDBSHHO-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001575229996 948865678 /nfs/dbraw/zinc/86/56/78/948865678.db2.gz YEBICYZCWAJXKQ-OLZOCXBDSA-N -1 3 384.362 0.712 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001575229996 948865702 /nfs/dbraw/zinc/86/57/02/948865702.db2.gz YEBICYZCWAJXKQ-OLZOCXBDSA-N -1 3 384.362 0.712 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574684612 948876024 /nfs/dbraw/zinc/87/60/24/948876024.db2.gz IWXZWEGZQXMXOL-QWRGUYRKSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574684612 948876041 /nfs/dbraw/zinc/87/60/41/948876041.db2.gz IWXZWEGZQXMXOL-QWRGUYRKSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574919405 948877837 /nfs/dbraw/zinc/87/78/37/948877837.db2.gz YQWYJSSMQDZASO-GFCCVEGCSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574919405 948877854 /nfs/dbraw/zinc/87/78/54/948877854.db2.gz YQWYJSSMQDZASO-GFCCVEGCSA-N -1 3 385.432 0.354 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H](O)c1ccnn1C ZINC001574083170 948879344 /nfs/dbraw/zinc/87/93/44/948879344.db2.gz PEJWHFKHCQXBMV-HOCLYGCPSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H](O)c1ccnn1C ZINC001574083170 948879358 /nfs/dbraw/zinc/87/93/58/948879358.db2.gz PEJWHFKHCQXBMV-HOCLYGCPSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)c1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001574425710 948879834 /nfs/dbraw/zinc/87/98/34/948879834.db2.gz LOQJNFHTOOUVDJ-RYUDHWBXSA-N -1 3 382.432 0.535 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CN(C)CCO1 ZINC001574684831 948886224 /nfs/dbraw/zinc/88/62/24/948886224.db2.gz NIQRGPBODRQJHL-ZWNOBZJWSA-N -1 3 378.412 0.038 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CN(C)CCO1 ZINC001574684831 948886244 /nfs/dbraw/zinc/88/62/44/948886244.db2.gz NIQRGPBODRQJHL-ZWNOBZJWSA-N -1 3 378.412 0.038 20 0 GCADHM CC(C)c1nc(CNC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)no1 ZINC001574426111 948886646 /nfs/dbraw/zinc/88/66/46/948886646.db2.gz QQZAPEMTUCJZNT-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)no1 ZINC001574426111 948886667 /nfs/dbraw/zinc/88/66/67/948886667.db2.gz QQZAPEMTUCJZNT-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1)C1CC1 ZINC001573764305 948886958 /nfs/dbraw/zinc/88/69/58/948886958.db2.gz MCMHBLBWIXSBBD-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1)C1CC1 ZINC001573764305 948886981 /nfs/dbraw/zinc/88/69/81/948886981.db2.gz MCMHBLBWIXSBBD-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CO)c1nncn1C ZINC001574083758 948889032 /nfs/dbraw/zinc/88/90/32/948889032.db2.gz XZCHLQGEPJCTQP-OCCSQVGLSA-N -1 3 386.416 0.248 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CO)c1nncn1C ZINC001574083758 948889050 /nfs/dbraw/zinc/88/90/50/948889050.db2.gz XZCHLQGEPJCTQP-OCCSQVGLSA-N -1 3 386.416 0.248 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001574083713 948889808 /nfs/dbraw/zinc/88/98/08/948889808.db2.gz XLMPEPINNVLYDM-OEYIWLLWSA-N -1 3 375.429 0.661 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001574083713 948889824 /nfs/dbraw/zinc/88/98/24/948889824.db2.gz XLMPEPINNVLYDM-OEYIWLLWSA-N -1 3 375.429 0.661 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920163 948892706 /nfs/dbraw/zinc/89/27/06/948892706.db2.gz DVEIDBNAQHPMMV-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920163 948892717 /nfs/dbraw/zinc/89/27/17/948892717.db2.gz DVEIDBNAQHPMMV-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)c1nc(CN2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001574426653 948893527 /nfs/dbraw/zinc/89/35/27/948893527.db2.gz UUNAVMSBZUQOQZ-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001574426653 948893541 /nfs/dbraw/zinc/89/35/41/948893541.db2.gz UUNAVMSBZUQOQZ-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920243 948894032 /nfs/dbraw/zinc/89/40/32/948894032.db2.gz GTFGFUBBOGNQEM-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920243 948894045 /nfs/dbraw/zinc/89/40/45/948894045.db2.gz GTFGFUBBOGNQEM-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(S(N)(=O)=O)CC1 ZINC001574083896 948894622 /nfs/dbraw/zinc/89/46/22/948894622.db2.gz ZXZCSZNTAQGCFA-CYBMUJFWSA-N -1 3 394.457 0.207 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(S(N)(=O)=O)CC1 ZINC001574083896 948894633 /nfs/dbraw/zinc/89/46/33/948894633.db2.gz ZXZCSZNTAQGCFA-CYBMUJFWSA-N -1 3 394.457 0.207 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CO)[C@@H]1CCOC1 ZINC001574083833 948896275 /nfs/dbraw/zinc/89/62/75/948896275.db2.gz YQQXWYUEDNIQOY-XPKDYRNWSA-N -1 3 375.429 0.784 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CO)[C@@H]1CCOC1 ZINC001574083833 948896288 /nfs/dbraw/zinc/89/62/88/948896288.db2.gz YQQXWYUEDNIQOY-XPKDYRNWSA-N -1 3 375.429 0.784 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1cnn(C)n1 ZINC001574684947 948896656 /nfs/dbraw/zinc/89/66/56/948896656.db2.gz PMPDGPCRUWOLGS-QMMMGPOBSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1cnn(C)n1 ZINC001574684947 948896668 /nfs/dbraw/zinc/89/66/68/948896668.db2.gz PMPDGPCRUWOLGS-QMMMGPOBSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574684949 948897044 /nfs/dbraw/zinc/89/70/44/948897044.db2.gz PNVXRBDRTFHMJY-MNOVXSKESA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574684949 948897066 /nfs/dbraw/zinc/89/70/66/948897066.db2.gz PNVXRBDRTFHMJY-MNOVXSKESA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)Cn1cncn1 ZINC001574685035 948901110 /nfs/dbraw/zinc/90/11/10/948901110.db2.gz RIHNLJCTVFUMBJ-VIFPVBQESA-N -1 3 376.812 0.514 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)Cn1cncn1 ZINC001574685035 948901112 /nfs/dbraw/zinc/90/11/12/948901112.db2.gz RIHNLJCTVFUMBJ-VIFPVBQESA-N -1 3 376.812 0.514 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920608 948905489 /nfs/dbraw/zinc/90/54/89/948905489.db2.gz MWNNRBKDMIHOSY-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920608 948905500 /nfs/dbraw/zinc/90/55/00/948905500.db2.gz MWNNRBKDMIHOSY-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574920839 948908963 /nfs/dbraw/zinc/90/89/63/948908963.db2.gz PLFIWEQVHVLFKU-LLVKDONJSA-N -1 3 387.423 0.708 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574920839 948908976 /nfs/dbraw/zinc/90/89/76/948908976.db2.gz PLFIWEQVHVLFKU-LLVKDONJSA-N -1 3 387.423 0.708 20 0 GCADHM CC(C)c1nc(CNC[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001574427728 948909768 /nfs/dbraw/zinc/90/97/68/948909768.db2.gz MLFPGGJUFQHQMF-UMSPYCQHSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001574427728 948909778 /nfs/dbraw/zinc/90/97/78/948909778.db2.gz MLFPGGJUFQHQMF-UMSPYCQHSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1cnnn1C ZINC001574685486 948910674 /nfs/dbraw/zinc/91/06/74/948910674.db2.gz XILJYENXPWPDLY-MRVPVSSYSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1cnnn1C ZINC001574685486 948910688 /nfs/dbraw/zinc/91/06/88/948910688.db2.gz XILJYENXPWPDLY-MRVPVSSYSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574685607 948911376 /nfs/dbraw/zinc/91/13/76/948911376.db2.gz XVZILNWHGUQIHZ-KOLCDFICSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574685607 948911399 /nfs/dbraw/zinc/91/13/99/948911399.db2.gz XVZILNWHGUQIHZ-KOLCDFICSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574685467 948912200 /nfs/dbraw/zinc/91/22/00/948912200.db2.gz XAZXPNVJLCRHNM-BTDLBPIBSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574685467 948912205 /nfs/dbraw/zinc/91/22/05/948912205.db2.gz XAZXPNVJLCRHNM-BTDLBPIBSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CO[C@@H]1CCOC1 ZINC001574685766 948917254 /nfs/dbraw/zinc/91/72/54/948917254.db2.gz AZLUJPDLZVTEMT-CMPLNLGQSA-N -1 3 379.396 0.513 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CO[C@@H]1CCOC1 ZINC001574685766 948917272 /nfs/dbraw/zinc/91/72/72/948917272.db2.gz AZLUJPDLZVTEMT-CMPLNLGQSA-N -1 3 379.396 0.513 20 0 GCADHM CC(C)(C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573765694 948918893 /nfs/dbraw/zinc/91/88/93/948918893.db2.gz XYYXKROXZPQOHQ-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573765694 948918907 /nfs/dbraw/zinc/91/89/07/948918907.db2.gz XYYXKROXZPQOHQ-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)CCc1cscn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574921416 948920112 /nfs/dbraw/zinc/92/01/12/948920112.db2.gz WSMRTUKMNAOUOG-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1cscn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574921416 948920119 /nfs/dbraw/zinc/92/01/19/948920119.db2.gz WSMRTUKMNAOUOG-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574431756 948923661 /nfs/dbraw/zinc/92/36/61/948923661.db2.gz AYNSLJAGUPQRSA-GFCCVEGCSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574431756 948923668 /nfs/dbraw/zinc/92/36/68/948923668.db2.gz AYNSLJAGUPQRSA-GFCCVEGCSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574088505 948928017 /nfs/dbraw/zinc/92/80/17/948928017.db2.gz FTYAZMKKVCLHFS-YVEFUNNKSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574088505 948928031 /nfs/dbraw/zinc/92/80/31/948928031.db2.gz FTYAZMKKVCLHFS-YVEFUNNKSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574432221 948928516 /nfs/dbraw/zinc/92/85/16/948928516.db2.gz FTYBIQIUOFXOQY-JTQLQIEISA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574432221 948928525 /nfs/dbraw/zinc/92/85/25/948928525.db2.gz FTYBIQIUOFXOQY-JTQLQIEISA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574432229 948928561 /nfs/dbraw/zinc/92/85/61/948928561.db2.gz FVJIMHLHGNTHRY-LBPRGKRZSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574432229 948928567 /nfs/dbraw/zinc/92/85/67/948928567.db2.gz FVJIMHLHGNTHRY-LBPRGKRZSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1)c1cnc[nH]1 ZINC001573766037 948929626 /nfs/dbraw/zinc/92/96/26/948929626.db2.gz VAUWWBKGULEFDR-QWRGUYRKSA-N -1 3 380.416 0.147 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1)c1cnc[nH]1 ZINC001573766037 948929642 /nfs/dbraw/zinc/92/96/42/948929642.db2.gz VAUWWBKGULEFDR-QWRGUYRKSA-N -1 3 380.416 0.147 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cccc(=O)n1C ZINC001574686239 948932106 /nfs/dbraw/zinc/93/21/06/948932106.db2.gz HAOVMUUIESKHFI-SNVBAGLBSA-N -1 3 386.391 0.720 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cccc(=O)n1C ZINC001574686239 948932123 /nfs/dbraw/zinc/93/21/23/948932123.db2.gz HAOVMUUIESKHFI-SNVBAGLBSA-N -1 3 386.391 0.720 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1c[nH]c(=O)n1C ZINC001574686214 948933118 /nfs/dbraw/zinc/93/31/18/948933118.db2.gz GPMQYGWFAAGYKL-MRVPVSSYSA-N -1 3 375.368 0.460 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1c[nH]c(=O)n1C ZINC001574686214 948933129 /nfs/dbraw/zinc/93/31/29/948933129.db2.gz GPMQYGWFAAGYKL-MRVPVSSYSA-N -1 3 375.368 0.460 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)COCc1ccnn1C ZINC001574686773 948941152 /nfs/dbraw/zinc/94/11/52/948941152.db2.gz LMLOVPQRGNOACB-GFCCVEGCSA-N -1 3 385.432 0.519 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)COCc1ccnn1C ZINC001574686773 948941163 /nfs/dbraw/zinc/94/11/63/948941163.db2.gz LMLOVPQRGNOACB-GFCCVEGCSA-N -1 3 385.432 0.519 20 0 GCADHM CC(C)c1nnc(CN2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001574433095 948944707 /nfs/dbraw/zinc/94/47/07/948944707.db2.gz GKRSZGBTBOXUQM-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1nnc(CN2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001574433095 948944711 /nfs/dbraw/zinc/94/47/11/948944711.db2.gz GKRSZGBTBOXUQM-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001574089103 948944826 /nfs/dbraw/zinc/94/48/26/948944826.db2.gz CPINNQCIMFVIOC-STQMWFEESA-N -1 3 377.424 0.926 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001574089103 948944837 /nfs/dbraw/zinc/94/48/37/948944837.db2.gz CPINNQCIMFVIOC-STQMWFEESA-N -1 3 377.424 0.926 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccnn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574923318 948944924 /nfs/dbraw/zinc/94/49/24/948944924.db2.gz JKLDVYUKDBBLHJ-VIFPVBQESA-N -1 3 376.812 0.514 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccnn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574923318 948944936 /nfs/dbraw/zinc/94/49/36/948944936.db2.gz JKLDVYUKDBBLHJ-VIFPVBQESA-N -1 3 376.812 0.514 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574432961 948946691 /nfs/dbraw/zinc/94/66/91/948946691.db2.gz QNQWTSUHJNVBIJ-RYUDHWBXSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574432961 948946704 /nfs/dbraw/zinc/94/67/04/948946704.db2.gz QNQWTSUHJNVBIJ-RYUDHWBXSA-N -1 3 384.448 0.982 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001575237884 948949361 /nfs/dbraw/zinc/94/93/61/948949361.db2.gz ISFZEUNLIMYQEP-WCQYABFASA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001575237884 948949377 /nfs/dbraw/zinc/94/93/77/948949377.db2.gz ISFZEUNLIMYQEP-WCQYABFASA-N -1 3 381.387 0.753 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574089341 948953122 /nfs/dbraw/zinc/95/31/22/948953122.db2.gz JFIAOBQMJDBCMK-KZULUSFZSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574089341 948953134 /nfs/dbraw/zinc/95/31/34/948953134.db2.gz JFIAOBQMJDBCMK-KZULUSFZSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1 ZINC001574433382 948954022 /nfs/dbraw/zinc/95/40/22/948954022.db2.gz XFIRCKXIQNBFQU-UHFFFAOYSA-N -1 3 384.448 0.571 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1 ZINC001574433382 948954031 /nfs/dbraw/zinc/95/40/31/948954031.db2.gz XFIRCKXIQNBFQU-UHFFFAOYSA-N -1 3 384.448 0.571 20 0 GCADHM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574923706 948957651 /nfs/dbraw/zinc/95/76/51/948957651.db2.gz RLXGIFDHYTZTEI-GFCCVEGCSA-N -1 3 383.416 0.073 20 0 GCADHM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574923706 948957672 /nfs/dbraw/zinc/95/76/72/948957672.db2.gz RLXGIFDHYTZTEI-GFCCVEGCSA-N -1 3 383.416 0.073 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1c[nH]cn1 ZINC001573772348 948957918 /nfs/dbraw/zinc/95/79/18/948957918.db2.gz ALCKEYVBCOMLQC-NSHDSACASA-N -1 3 383.416 0.226 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCN1CCCC1=O ZINC001574688313 948959259 /nfs/dbraw/zinc/95/92/59/948959259.db2.gz TVXWDJMZLJOWPM-LLVKDONJSA-N -1 3 390.423 0.720 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCN1CCCC1=O ZINC001574688313 948959271 /nfs/dbraw/zinc/95/92/71/948959271.db2.gz TVXWDJMZLJOWPM-LLVKDONJSA-N -1 3 390.423 0.720 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ccc(=O)n(C)n1 ZINC001574688329 948959296 /nfs/dbraw/zinc/95/92/96/948959296.db2.gz UGKKQCONKSVYJH-SECBINFHSA-N -1 3 387.379 0.115 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ccc(=O)n(C)n1 ZINC001574688329 948959308 /nfs/dbraw/zinc/95/93/08/948959308.db2.gz UGKKQCONKSVYJH-SECBINFHSA-N -1 3 387.379 0.115 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574688390 948960260 /nfs/dbraw/zinc/96/02/60/948960260.db2.gz USLUXIZKVSOLSC-MXWKQRLJSA-N -1 3 390.423 0.609 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574688390 948960274 /nfs/dbraw/zinc/96/02/74/948960274.db2.gz USLUXIZKVSOLSC-MXWKQRLJSA-N -1 3 390.423 0.609 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCN1CCCC1=O ZINC001574688314 948960530 /nfs/dbraw/zinc/96/05/30/948960530.db2.gz TVXWDJMZLJOWPM-NSHDSACASA-N -1 3 390.423 0.720 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCN1CCCC1=O ZINC001574688314 948960540 /nfs/dbraw/zinc/96/05/40/948960540.db2.gz TVXWDJMZLJOWPM-NSHDSACASA-N -1 3 390.423 0.720 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574433944 948970082 /nfs/dbraw/zinc/97/00/82/948970082.db2.gz XBFBCMSFCBRWNH-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574433944 948970097 /nfs/dbraw/zinc/97/00/97/948970097.db2.gz XBFBCMSFCBRWNH-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cc2n(n1)CCO2 ZINC001574688821 948970587 /nfs/dbraw/zinc/97/05/87/948970587.db2.gz ZVHDUTSXMQKAOQ-SECBINFHSA-N -1 3 387.379 0.610 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cc2n(n1)CCO2 ZINC001574688821 948970599 /nfs/dbraw/zinc/97/05/99/948970599.db2.gz ZVHDUTSXMQKAOQ-SECBINFHSA-N -1 3 387.379 0.610 20 0 GCADHM CC(C)c1nnc(CN[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001574434033 948973470 /nfs/dbraw/zinc/97/34/70/948973470.db2.gz DFPJUSBECMMSHV-KLPPZKSPSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnc(CN[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001574434033 948973480 /nfs/dbraw/zinc/97/34/80/948973480.db2.gz DFPJUSBECMMSHV-KLPPZKSPSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574090229 948978972 /nfs/dbraw/zinc/97/89/72/948978972.db2.gz MFMWRTLZUXQVGE-APPDUMDISA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574090229 948978988 /nfs/dbraw/zinc/97/89/88/948978988.db2.gz MFMWRTLZUXQVGE-APPDUMDISA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574090231 948981050 /nfs/dbraw/zinc/98/10/50/948981050.db2.gz MFMWRTLZUXQVGE-GTNSWQLSSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574090231 948981064 /nfs/dbraw/zinc/98/10/64/948981064.db2.gz MFMWRTLZUXQVGE-GTNSWQLSSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nnc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)s1 ZINC001574434578 948982281 /nfs/dbraw/zinc/98/22/81/948982281.db2.gz KLZYUQRLDDDIFM-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nnc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC001574434578 948982294 /nfs/dbraw/zinc/98/22/94/948982294.db2.gz KLZYUQRLDDDIFM-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)c1c[nH]cn1 ZINC001573773478 948985290 /nfs/dbraw/zinc/98/52/90/948985290.db2.gz CFCFGBYINZDKKX-SNVBAGLBSA-N -1 3 388.407 0.596 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)c1c[nH]cn1 ZINC001573773478 948985297 /nfs/dbraw/zinc/98/52/97/948985297.db2.gz CFCFGBYINZDKKX-SNVBAGLBSA-N -1 3 388.407 0.596 20 0 GCADHM CC(C)c1nnc(CN[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)o1 ZINC001574434981 948986801 /nfs/dbraw/zinc/98/68/01/948986801.db2.gz NZAXSICWAZQQIR-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)o1 ZINC001574434981 948986814 /nfs/dbraw/zinc/98/68/14/948986814.db2.gz NZAXSICWAZQQIR-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574435019 948986938 /nfs/dbraw/zinc/98/69/38/948986938.db2.gz PBIPEQTVXAVQHG-WDEREUQCSA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574435019 948986952 /nfs/dbraw/zinc/98/69/52/948986952.db2.gz PBIPEQTVXAVQHG-WDEREUQCSA-N -1 3 385.436 0.377 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574926141 948987492 /nfs/dbraw/zinc/98/74/92/948987492.db2.gz JFEJCLVSISOLPS-VIFPVBQESA-N -1 3 378.824 0.454 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574926141 948987505 /nfs/dbraw/zinc/98/75/05/948987505.db2.gz JFEJCLVSISOLPS-VIFPVBQESA-N -1 3 378.824 0.454 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)C1CC1 ZINC001573773621 948989580 /nfs/dbraw/zinc/98/95/80/948989580.db2.gz NRBHWXRTPQIDHW-ZIAGYGMSSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)C1CC1 ZINC001573773621 948989591 /nfs/dbraw/zinc/98/95/91/948989591.db2.gz NRBHWXRTPQIDHW-ZIAGYGMSSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)c1nnc(CNC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)s1 ZINC001574435555 948994374 /nfs/dbraw/zinc/99/43/74/948994374.db2.gz VUEASGQJRLLEQJ-VIFPVBQESA-N -1 3 391.461 0.050 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1ccoc1CC(N)=O ZINC001574689962 948995684 /nfs/dbraw/zinc/99/56/84/948995684.db2.gz MPZSXUSXECSXBI-SNVBAGLBSA-N -1 3 384.400 0.503 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1ccoc1CC(N)=O ZINC001574689962 948995694 /nfs/dbraw/zinc/99/56/94/948995694.db2.gz MPZSXUSXECSXBI-SNVBAGLBSA-N -1 3 384.400 0.503 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574090826 948996524 /nfs/dbraw/zinc/99/65/24/948996524.db2.gz JHUABNQPQNKQQT-QWHCGFSZSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574090826 948996537 /nfs/dbraw/zinc/99/65/37/948996537.db2.gz JHUABNQPQNKQQT-QWHCGFSZSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574090828 948998675 /nfs/dbraw/zinc/99/86/75/948998675.db2.gz JHUABNQPQNKQQT-STQMWFEESA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574090828 948998684 /nfs/dbraw/zinc/99/86/84/948998684.db2.gz JHUABNQPQNKQQT-STQMWFEESA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573774296 949002100 /nfs/dbraw/zinc/00/21/00/949002100.db2.gz MCLIMQQYRBTIHM-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573774296 949002118 /nfs/dbraw/zinc/00/21/18/949002118.db2.gz MCLIMQQYRBTIHM-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CNC(=O)CN(C)Cc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574926547 949005483 /nfs/dbraw/zinc/00/54/83/949005483.db2.gz UJFWGWNQZOSRKE-ZDUSSCGKSA-N -1 3 381.444 0.705 20 0 GCADHM C[C@@H](CNC(=O)CN(C)Cc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574926547 949005502 /nfs/dbraw/zinc/00/55/02/949005502.db2.gz UJFWGWNQZOSRKE-ZDUSSCGKSA-N -1 3 381.444 0.705 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)n1 ZINC001574439464 949007626 /nfs/dbraw/zinc/00/76/26/949007626.db2.gz FKNHYRVARXOJLX-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)n1 ZINC001574439464 949007644 /nfs/dbraw/zinc/00/76/44/949007644.db2.gz FKNHYRVARXOJLX-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cc(CN(C)C)on1 ZINC001574690764 949008630 /nfs/dbraw/zinc/00/86/30/949008630.db2.gz RJCLABJHWMQTMD-NSHDSACASA-N -1 3 385.432 0.932 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cc(CN(C)C)on1 ZINC001574690764 949008643 /nfs/dbraw/zinc/00/86/43/949008643.db2.gz RJCLABJHWMQTMD-NSHDSACASA-N -1 3 385.432 0.932 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574926585 949010222 /nfs/dbraw/zinc/01/02/22/949010222.db2.gz AEIFTUFLOICTJX-GFCCVEGCSA-N -1 3 387.448 0.008 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574926585 949010242 /nfs/dbraw/zinc/01/02/42/949010242.db2.gz AEIFTUFLOICTJX-GFCCVEGCSA-N -1 3 387.448 0.008 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574439830 949016967 /nfs/dbraw/zinc/01/69/67/949016967.db2.gz JTDCBCMTHJZVMW-GXSJLCMTSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574439830 949016985 /nfs/dbraw/zinc/01/69/85/949016985.db2.gz JTDCBCMTHJZVMW-GXSJLCMTSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574439833 949017558 /nfs/dbraw/zinc/01/75/58/949017558.db2.gz JTDCBCMTHJZVMW-MWLCHTKSSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574439833 949017571 /nfs/dbraw/zinc/01/75/71/949017571.db2.gz JTDCBCMTHJZVMW-MWLCHTKSSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574926679 949017857 /nfs/dbraw/zinc/01/78/57/949017857.db2.gz UXLNOWRMYWFYHN-LLVKDONJSA-N -1 3 375.408 0.569 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574926679 949017875 /nfs/dbraw/zinc/01/78/75/949017875.db2.gz UXLNOWRMYWFYHN-LLVKDONJSA-N -1 3 375.408 0.569 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573774604 949018314 /nfs/dbraw/zinc/01/83/14/949018314.db2.gz OUFBTGPLVGBQNF-MRVPVSSYSA-N -1 3 391.329 0.878 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573774604 949018319 /nfs/dbraw/zinc/01/83/19/949018319.db2.gz OUFBTGPLVGBQNF-MRVPVSSYSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926787 949021529 /nfs/dbraw/zinc/02/15/29/949021529.db2.gz XKIYQRNGSVPVHP-NSHDSACASA-N -1 3 375.408 0.935 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926787 949021510 /nfs/dbraw/zinc/02/15/10/949021510.db2.gz XKIYQRNGSVPVHP-NSHDSACASA-N -1 3 375.408 0.935 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCC1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574926773 949022910 /nfs/dbraw/zinc/02/29/10/949022910.db2.gz XFQKODHAVIXGOT-NSHDSACASA-N -1 3 390.423 0.354 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCC1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574926773 949022885 /nfs/dbraw/zinc/02/28/85/949022885.db2.gz XFQKODHAVIXGOT-NSHDSACASA-N -1 3 390.423 0.354 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574440098 949025163 /nfs/dbraw/zinc/02/51/63/949025163.db2.gz NJIJNVDQLRMOFT-KOLCDFICSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440098 949025181 /nfs/dbraw/zinc/02/51/81/949025181.db2.gz NJIJNVDQLRMOFT-KOLCDFICSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1ccc(C(N)=O)nc1 ZINC001574691783 949029820 /nfs/dbraw/zinc/02/98/20/949029820.db2.gz YNDPRXDJYVZBCS-SNVBAGLBSA-N -1 3 381.400 0.376 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1ccc(C(N)=O)nc1 ZINC001574691783 949029842 /nfs/dbraw/zinc/02/98/42/949029842.db2.gz YNDPRXDJYVZBCS-SNVBAGLBSA-N -1 3 381.400 0.376 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574440534 949029822 /nfs/dbraw/zinc/02/98/22/949029822.db2.gz QZXGANZFLJHWTK-HAQNSBGRSA-N -1 3 383.420 0.131 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574440534 949029841 /nfs/dbraw/zinc/02/98/41/949029841.db2.gz QZXGANZFLJHWTK-HAQNSBGRSA-N -1 3 383.420 0.131 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575246505 949032401 /nfs/dbraw/zinc/03/24/01/949032401.db2.gz GSLXSXHEKLRXBM-NWDGAFQWSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575246505 949032419 /nfs/dbraw/zinc/03/24/19/949032419.db2.gz GSLXSXHEKLRXBM-NWDGAFQWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(C)c1noc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440839 949036286 /nfs/dbraw/zinc/03/62/86/949036286.db2.gz WBXTXNKIIIOCTL-RYUDHWBXSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)c1noc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440839 949036308 /nfs/dbraw/zinc/03/63/08/949036308.db2.gz WBXTXNKIIIOCTL-RYUDHWBXSA-N -1 3 383.416 0.800 20 0 GCADHM C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001575503014 949037755 /nfs/dbraw/zinc/03/77/55/949037755.db2.gz MRZHIXPTWRVVAM-ZCFIWIBFSA-N -1 3 387.433 0.908 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCCO1 ZINC001573775284 949038354 /nfs/dbraw/zinc/03/83/54/949038354.db2.gz VPFXNXACEZFIOR-ZIAGYGMSSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCCO1 ZINC001573775284 949038366 /nfs/dbraw/zinc/03/83/66/949038366.db2.gz VPFXNXACEZFIOR-ZIAGYGMSSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)c1nnsc1C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574440951 949041612 /nfs/dbraw/zinc/04/16/12/949041612.db2.gz ZFXOEWMIFQIASD-UHFFFAOYSA-N -1 3 389.445 0.672 20 0 GCADHM CC(C)c1nnsc1C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574440951 949041629 /nfs/dbraw/zinc/04/16/29/949041629.db2.gz ZFXOEWMIFQIASD-UHFFFAOYSA-N -1 3 389.445 0.672 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575247149 949042385 /nfs/dbraw/zinc/04/23/85/949042385.db2.gz IOUKMGVFUHGBBU-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575247149 949042402 /nfs/dbraw/zinc/04/24/02/949042402.db2.gz IOUKMGVFUHGBBU-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1)S(C)(=O)=O ZINC001573775487 949044273 /nfs/dbraw/zinc/04/42/73/949044273.db2.gz XOGSRJGGBFYHSG-UHFFFAOYSA-N -1 3 379.446 0.146 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1)S(C)(=O)=O ZINC001573775487 949044295 /nfs/dbraw/zinc/04/42/95/949044295.db2.gz XOGSRJGGBFYHSG-UHFFFAOYSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574927853 949051181 /nfs/dbraw/zinc/05/11/81/949051181.db2.gz LWDALEKOBASSAJ-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574927853 949051205 /nfs/dbraw/zinc/05/12/05/949051205.db2.gz LWDALEKOBASSAJ-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](CNC(=O)CN1CCOCC1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574927863 949051968 /nfs/dbraw/zinc/05/19/68/949051968.db2.gz LYSNXISHHNYBOD-GFCCVEGCSA-N -1 3 377.424 0.279 20 0 GCADHM C[C@H](CNC(=O)CN1CCOCC1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574927863 949051950 /nfs/dbraw/zinc/05/19/50/949051950.db2.gz LYSNXISHHNYBOD-GFCCVEGCSA-N -1 3 377.424 0.279 20 0 GCADHM C[C@@H](CNC(=O)CN1CCOCC1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574928285 949052576 /nfs/dbraw/zinc/05/25/76/949052576.db2.gz OJVSDJYFRBKVDO-GFCCVEGCSA-N -1 3 377.424 0.502 20 0 GCADHM C[C@@H](CNC(=O)CN1CCOCC1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574928285 949052597 /nfs/dbraw/zinc/05/25/97/949052597.db2.gz OJVSDJYFRBKVDO-GFCCVEGCSA-N -1 3 377.424 0.502 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574441308 949056183 /nfs/dbraw/zinc/05/61/83/949056183.db2.gz JUWPLYUUPUQVBE-PHIMTYICSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574441308 949056201 /nfs/dbraw/zinc/05/62/01/949056201.db2.gz JUWPLYUUPUQVBE-PHIMTYICSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574441309 949059696 /nfs/dbraw/zinc/05/96/96/949059696.db2.gz JUWPLYUUPUQVBE-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574441309 949059712 /nfs/dbraw/zinc/05/97/12/949059712.db2.gz JUWPLYUUPUQVBE-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574928676 949061942 /nfs/dbraw/zinc/06/19/42/949061942.db2.gz QLBPQYNELGEUTL-NSHDSACASA-N -1 3 381.400 0.003 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574928676 949061961 /nfs/dbraw/zinc/06/19/61/949061961.db2.gz QLBPQYNELGEUTL-NSHDSACASA-N -1 3 381.400 0.003 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574928675 949062756 /nfs/dbraw/zinc/06/27/56/949062756.db2.gz QLBPQYNELGEUTL-LLVKDONJSA-N -1 3 381.400 0.003 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574928675 949062784 /nfs/dbraw/zinc/06/27/84/949062784.db2.gz QLBPQYNELGEUTL-LLVKDONJSA-N -1 3 381.400 0.003 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575504373 949066302 /nfs/dbraw/zinc/06/63/02/949066302.db2.gz QVKKIPBSQHNFPN-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575504373 949066321 /nfs/dbraw/zinc/06/63/21/949066321.db2.gz QVKKIPBSQHNFPN-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574928935 949067800 /nfs/dbraw/zinc/06/78/00/949067800.db2.gz TXRIDMRXVMTPLI-JTQLQIEISA-N -1 3 376.396 0.338 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574928935 949067818 /nfs/dbraw/zinc/06/78/18/949067818.db2.gz TXRIDMRXVMTPLI-JTQLQIEISA-N -1 3 376.396 0.338 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574928961 949069452 /nfs/dbraw/zinc/06/94/52/949069452.db2.gz UMDAYIOGUKXUPK-LLVKDONJSA-N -1 3 381.400 0.003 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574928961 949069472 /nfs/dbraw/zinc/06/94/72/949069472.db2.gz UMDAYIOGUKXUPK-LLVKDONJSA-N -1 3 381.400 0.003 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001575504377 949070750 /nfs/dbraw/zinc/07/07/50/949070750.db2.gz QVKKIPBSQHNFPN-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001575504377 949070770 /nfs/dbraw/zinc/07/07/70/949070770.db2.gz QVKKIPBSQHNFPN-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1)CNC(=O)OC(C)(C)C ZINC001574929021 949072160 /nfs/dbraw/zinc/07/21/60/949072160.db2.gz VXCNNHISAHUSNM-LLVKDONJSA-N -1 3 390.448 0.951 20 0 GCADHM C[C@H](CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1)CNC(=O)OC(C)(C)C ZINC001574929021 949072179 /nfs/dbraw/zinc/07/21/79/949072179.db2.gz VXCNNHISAHUSNM-LLVKDONJSA-N -1 3 390.448 0.951 20 0 GCADHM CC(C)c1nsc(N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574441763 949075010 /nfs/dbraw/zinc/07/50/10/949075010.db2.gz WGVYKEFLMVPALL-VIFPVBQESA-N -1 3 377.434 0.373 20 0 GCADHM CC(C)c1nsc(N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574441763 949075031 /nfs/dbraw/zinc/07/50/31/949075031.db2.gz WGVYKEFLMVPALL-VIFPVBQESA-N -1 3 377.434 0.373 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001574694290 949075033 /nfs/dbraw/zinc/07/50/33/949075033.db2.gz NFAVRLKZWRFNJY-SECBINFHSA-N -1 3 391.450 0.248 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001574694290 949075052 /nfs/dbraw/zinc/07/50/52/949075052.db2.gz NFAVRLKZWRFNJY-SECBINFHSA-N -1 3 391.450 0.248 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574442161 949089550 /nfs/dbraw/zinc/08/95/50/949089550.db2.gz KYKGEIWPZBOUAB-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574442161 949089567 /nfs/dbraw/zinc/08/95/67/949089567.db2.gz KYKGEIWPZBOUAB-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)COCc1ccncc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574929303 949093785 /nfs/dbraw/zinc/09/37/85/949093785.db2.gz CNXKDRZJEXFJQB-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](CNC(=O)COCc1ccncc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929303 949093804 /nfs/dbraw/zinc/09/38/04/949093804.db2.gz CNXKDRZJEXFJQB-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1CC1 ZINC001573780445 949094897 /nfs/dbraw/zinc/09/48/97/949094897.db2.gz ZNFCOFRRSBDEAM-SFHVURJKSA-N -1 3 389.435 0.894 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1CC1 ZINC001573780445 949094920 /nfs/dbraw/zinc/09/49/20/949094920.db2.gz ZNFCOFRRSBDEAM-SFHVURJKSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575504915 949095921 /nfs/dbraw/zinc/09/59/21/949095921.db2.gz YWDRPQGQCVLZSC-QWHCGFSZSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575504915 949095935 /nfs/dbraw/zinc/09/59/35/949095935.db2.gz YWDRPQGQCVLZSC-QWHCGFSZSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@H](NC(=O)C(C)(C)F)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575249405 949096784 /nfs/dbraw/zinc/09/67/84/949096784.db2.gz BNJMLFLDKYZMSF-CABZTGNLSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@H](NC(=O)C(C)(C)F)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575249405 949096804 /nfs/dbraw/zinc/09/68/04/949096804.db2.gz BNJMLFLDKYZMSF-CABZTGNLSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574929746 949100717 /nfs/dbraw/zinc/10/07/17/949100717.db2.gz HIJBOADVLAACIA-LLVKDONJSA-N -1 3 386.391 0.929 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574929746 949100733 /nfs/dbraw/zinc/10/07/33/949100733.db2.gz HIJBOADVLAACIA-LLVKDONJSA-N -1 3 386.391 0.929 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574930131 949103634 /nfs/dbraw/zinc/10/36/34/949103634.db2.gz JOKSJPFYIMLSFF-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574930131 949103645 /nfs/dbraw/zinc/10/36/45/949103645.db2.gz JOKSJPFYIMLSFF-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@H](CCO)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574695133 949103796 /nfs/dbraw/zinc/10/37/96/949103796.db2.gz ZTPUTLKKUYUNRI-LBPRGKRZSA-N -1 3 381.458 0.306 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575250063 949105585 /nfs/dbraw/zinc/10/55/85/949105585.db2.gz CWZXTRVVOITCGZ-SRVKXCTJSA-N -1 3 386.460 0.872 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575250063 949105597 /nfs/dbraw/zinc/10/55/97/949105597.db2.gz CWZXTRVVOITCGZ-SRVKXCTJSA-N -1 3 386.460 0.872 20 0 GCADHM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574930250 949107156 /nfs/dbraw/zinc/10/71/56/949107156.db2.gz KGIZBGHXUYWVKB-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574930250 949107171 /nfs/dbraw/zinc/10/71/71/949107171.db2.gz KGIZBGHXUYWVKB-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575250061 949107557 /nfs/dbraw/zinc/10/75/57/949107557.db2.gz CWZXTRVVOITCGZ-IJLUTSLNSA-N -1 3 386.460 0.872 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575250061 949107544 /nfs/dbraw/zinc/10/75/44/949107544.db2.gz CWZXTRVVOITCGZ-IJLUTSLNSA-N -1 3 386.460 0.872 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573781517 949108318 /nfs/dbraw/zinc/10/83/18/949108318.db2.gz IRSBJSUUEGQDTM-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573781517 949108330 /nfs/dbraw/zinc/10/83/30/949108330.db2.gz IRSBJSUUEGQDTM-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001575505090 949108733 /nfs/dbraw/zinc/10/87/33/949108733.db2.gz ZOIMSQARLYHXIV-SNVBAGLBSA-N -1 3 387.425 0.742 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001575505090 949108747 /nfs/dbraw/zinc/10/87/47/949108747.db2.gz ZOIMSQARLYHXIV-SNVBAGLBSA-N -1 3 387.425 0.742 20 0 GCADHM CC(C)(C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1c[nH]cn1 ZINC001573781492 949108763 /nfs/dbraw/zinc/10/87/63/949108763.db2.gz IAESZTFQOIHXKW-ONEGZZNKSA-N -1 3 383.416 0.298 20 0 GCADHM CC(C)c1noc(CN[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574443282 949109392 /nfs/dbraw/zinc/10/93/92/949109392.db2.gz WYCQATBCINLDII-PHIMTYICSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CN[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574443282 949109407 /nfs/dbraw/zinc/10/94/07/949109407.db2.gz WYCQATBCINLDII-PHIMTYICSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCOCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574093619 949109568 /nfs/dbraw/zinc/10/95/68/949109568.db2.gz WRISEUCEGKIDHJ-CHWSQXEVSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCOCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574093619 949109582 /nfs/dbraw/zinc/10/95/82/949109582.db2.gz WRISEUCEGKIDHJ-CHWSQXEVSA-N -1 3 389.460 0.692 20 0 GCADHM C[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)C(N)=O ZINC001575509454 949110851 /nfs/dbraw/zinc/11/08/51/949110851.db2.gz CDWYCNQPUSIPDS-QMTHXVAHSA-N -1 3 387.425 0.198 20 0 GCADHM C[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)C(N)=O ZINC001575509454 949110864 /nfs/dbraw/zinc/11/08/64/949110864.db2.gz CDWYCNQPUSIPDS-QMTHXVAHSA-N -1 3 387.425 0.198 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574445718 949112593 /nfs/dbraw/zinc/11/25/93/949112593.db2.gz AAOJKHBTIYILKC-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574445718 949112605 /nfs/dbraw/zinc/11/26/05/949112605.db2.gz AAOJKHBTIYILKC-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC001575250687 949115058 /nfs/dbraw/zinc/11/50/58/949115058.db2.gz GHFQNJYDXOHRBW-GXFFZTMASA-N -1 3 386.416 0.982 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC001575250687 949115044 /nfs/dbraw/zinc/11/50/44/949115044.db2.gz GHFQNJYDXOHRBW-GXFFZTMASA-N -1 3 386.416 0.982 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574446013 949116496 /nfs/dbraw/zinc/11/64/96/949116496.db2.gz FKPLIRLVGIFGQN-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574446013 949116513 /nfs/dbraw/zinc/11/65/13/949116513.db2.gz FKPLIRLVGIFGQN-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575250949 949121338 /nfs/dbraw/zinc/12/13/38/949121338.db2.gz JGLABQVKIVOZIW-QWHCGFSZSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575250949 949121348 /nfs/dbraw/zinc/12/13/48/949121348.db2.gz JGLABQVKIVOZIW-QWHCGFSZSA-N -1 3 388.476 0.678 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574093935 949121620 /nfs/dbraw/zinc/12/16/20/949121620.db2.gz UCAOUPNMLBIFGG-CHWSQXEVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574093935 949121627 /nfs/dbraw/zinc/12/16/27/949121627.db2.gz UCAOUPNMLBIFGG-CHWSQXEVSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574931677 949122276 /nfs/dbraw/zinc/12/22/76/949122276.db2.gz QQRQDQBKZNZWMY-GFCCVEGCSA-N -1 3 389.460 0.884 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574931677 949122291 /nfs/dbraw/zinc/12/22/91/949122291.db2.gz QQRQDQBKZNZWMY-GFCCVEGCSA-N -1 3 389.460 0.884 20 0 GCADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC001575510892 949126418 /nfs/dbraw/zinc/12/64/18/949126418.db2.gz IANUYWSNLSBRSO-SNVBAGLBSA-N -1 3 387.425 0.742 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574932217 949135438 /nfs/dbraw/zinc/13/54/38/949135438.db2.gz WBYMRWKOJJJQQY-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574932217 949135425 /nfs/dbraw/zinc/13/54/25/949135425.db2.gz WBYMRWKOJJJQQY-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCO1 ZINC001574094351 949136405 /nfs/dbraw/zinc/13/64/05/949136405.db2.gz VMXVTOOUWPJHLH-XHDPSFHLSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCO1 ZINC001574094351 949136412 /nfs/dbraw/zinc/13/64/12/949136412.db2.gz VMXVTOOUWPJHLH-XHDPSFHLSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](c1ccccc1)[C@@H](O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575512188 949137733 /nfs/dbraw/zinc/13/77/33/949137733.db2.gz NCEUUDXPYFJGNF-PXAZEXFGSA-N -1 3 381.440 0.773 20 0 GCADHM CC(C)c1occc1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574446872 949141851 /nfs/dbraw/zinc/14/18/51/949141851.db2.gz YXAVQIVHUJAOBQ-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574446872 949141867 /nfs/dbraw/zinc/14/18/67/949141867.db2.gz YXAVQIVHUJAOBQ-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602793189 971554467 /nfs/dbraw/zinc/55/44/67/971554467.db2.gz TVANWCKYRWYAMT-BZIRYSOJSA-N -1 3 376.409 0.364 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)N1CCOCC1 ZINC001573783216 949146796 /nfs/dbraw/zinc/14/67/96/949146796.db2.gz YVZXBMJQNLENLQ-CQSZACIVSA-N -1 3 386.460 0.067 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)N1CCOCC1 ZINC001573783216 949146802 /nfs/dbraw/zinc/14/68/02/949146802.db2.gz YVZXBMJQNLENLQ-CQSZACIVSA-N -1 3 386.460 0.067 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574446961 949146833 /nfs/dbraw/zinc/14/68/33/949146833.db2.gz CUQAGFJNIHUYNB-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574446961 949146843 /nfs/dbraw/zinc/14/68/43/949146843.db2.gz CUQAGFJNIHUYNB-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1c[nH]cn1 ZINC001573786806 949150169 /nfs/dbraw/zinc/15/01/69/949150169.db2.gz CBHDYDQWZZBMGY-XYPYZODXSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1c[nH]cn1 ZINC001573786806 949150182 /nfs/dbraw/zinc/15/01/82/949150182.db2.gz CBHDYDQWZZBMGY-XYPYZODXSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1c[nH]cn1 ZINC001573786939 949153482 /nfs/dbraw/zinc/15/34/82/949153482.db2.gz HYRJXAKQWSGWAD-NSHDSACASA-N -1 3 383.416 0.226 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574447702 949169162 /nfs/dbraw/zinc/16/91/62/949169162.db2.gz YBCIREJBIORHMS-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574447702 949169175 /nfs/dbraw/zinc/16/91/75/949169175.db2.gz YBCIREJBIORHMS-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252796 949170769 /nfs/dbraw/zinc/17/07/69/949170769.db2.gz RHRSSBDROWCXCH-GZMMTYOYSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252796 949170755 /nfs/dbraw/zinc/17/07/55/949170755.db2.gz RHRSSBDROWCXCH-GZMMTYOYSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575252720 949172013 /nfs/dbraw/zinc/17/20/13/949172013.db2.gz RCSWCJQORVHMDG-BXKDBHETSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575252720 949172026 /nfs/dbraw/zinc/17/20/26/949172026.db2.gz RCSWCJQORVHMDG-BXKDBHETSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574934713 949176644 /nfs/dbraw/zinc/17/66/44/949176644.db2.gz OXRSWUXHQCRGRB-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574934713 949176653 /nfs/dbraw/zinc/17/66/53/949176653.db2.gz OXRSWUXHQCRGRB-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM CC(C)CC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574099498 949177300 /nfs/dbraw/zinc/17/73/00/949177300.db2.gz LJMPPKJCCBCJPM-CYBMUJFWSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574099498 949177313 /nfs/dbraw/zinc/17/73/13/949177313.db2.gz LJMPPKJCCBCJPM-CYBMUJFWSA-N -1 3 389.460 0.666 20 0 GCADHM C[C@H](c1ccccc1F)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575515015 949179605 /nfs/dbraw/zinc/17/96/05/949179605.db2.gz FBGMCTDNJHIERY-UHNFBRDESA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](c1ccccc1F)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575515015 949179617 /nfs/dbraw/zinc/17/96/17/949179617.db2.gz FBGMCTDNJHIERY-UHNFBRDESA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](c1ccccc1F)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001575515012 949179734 /nfs/dbraw/zinc/17/97/34/949179734.db2.gz FBGMCTDNJHIERY-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](c1ccccc1F)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001575515012 949179747 /nfs/dbraw/zinc/17/97/47/949179747.db2.gz FBGMCTDNJHIERY-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)C(F)(F)F ZINC001573787421 949180528 /nfs/dbraw/zinc/18/05/28/949180528.db2.gz YSHMKONAYCVJSF-ZJUUUORDSA-N -1 3 385.350 0.516 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)C(F)(F)F ZINC001573787421 949180540 /nfs/dbraw/zinc/18/05/40/949180540.db2.gz YSHMKONAYCVJSF-ZJUUUORDSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934870 949181960 /nfs/dbraw/zinc/18/19/60/949181960.db2.gz TZUVEGOXKGXBBJ-SECBINFHSA-N -1 3 375.414 0.570 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934870 949181975 /nfs/dbraw/zinc/18/19/75/949181975.db2.gz TZUVEGOXKGXBBJ-SECBINFHSA-N -1 3 375.414 0.570 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574448880 949190818 /nfs/dbraw/zinc/19/08/18/949190818.db2.gz OFHGABCWEIKPSZ-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](OCC1CC1)C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574698400 949190765 /nfs/dbraw/zinc/19/07/65/949190765.db2.gz KGCHBKVTDXICEH-WDEREUQCSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](OCC1CC1)C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574698400 949190781 /nfs/dbraw/zinc/19/07/81/949190781.db2.gz KGCHBKVTDXICEH-WDEREUQCSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574448880 949190840 /nfs/dbraw/zinc/19/08/40/949190840.db2.gz OFHGABCWEIKPSZ-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574698438 949191289 /nfs/dbraw/zinc/19/12/89/949191289.db2.gz KRTTYFPICYFVFV-WDEREUQCSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)CS(C)(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574698438 949191296 /nfs/dbraw/zinc/19/12/96/949191296.db2.gz KRTTYFPICYFVFV-WDEREUQCSA-N -1 3 381.462 0.201 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573787920 949192229 /nfs/dbraw/zinc/19/22/29/949192229.db2.gz FKGHCBCDNCILHW-LSDHHAIUSA-N -1 3 383.456 0.378 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573787920 949192236 /nfs/dbraw/zinc/19/22/36/949192236.db2.gz FKGHCBCDNCILHW-LSDHHAIUSA-N -1 3 383.456 0.378 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574935027 949192491 /nfs/dbraw/zinc/19/24/91/949192491.db2.gz XEXLZHWRBCTBKP-LBPRGKRZSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574935027 949192506 /nfs/dbraw/zinc/19/25/06/949192506.db2.gz XEXLZHWRBCTBKP-LBPRGKRZSA-N -1 3 385.432 0.376 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573788509 949195038 /nfs/dbraw/zinc/19/50/38/949195038.db2.gz KNWUNFJCTHDAPG-UHFFFAOYSA-N -1 3 376.396 0.419 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573788509 949195059 /nfs/dbraw/zinc/19/50/59/949195059.db2.gz KNWUNFJCTHDAPG-UHFFFAOYSA-N -1 3 376.396 0.419 20 0 GCADHM CC(C)c1ocnc1CNC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574449378 949196195 /nfs/dbraw/zinc/19/61/95/949196195.db2.gz QDCIFSLLSABTKA-LBPRGKRZSA-N -1 3 388.432 0.529 20 0 GCADHM CC(C)c1ocnc1CNC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574449378 949196209 /nfs/dbraw/zinc/19/62/09/949196209.db2.gz QDCIFSLLSABTKA-LBPRGKRZSA-N -1 3 388.432 0.529 20 0 GCADHM C[C@H](NC(=O)C1(C)CCC1)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575254152 949197302 /nfs/dbraw/zinc/19/73/02/949197302.db2.gz LOYGDZHJSCCBAQ-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C1(C)CCC1)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575254152 949197295 /nfs/dbraw/zinc/19/72/95/949197295.db2.gz LOYGDZHJSCCBAQ-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574698617 949197888 /nfs/dbraw/zinc/19/78/88/949197888.db2.gz NAVNZYTXIZNDSC-IUCAKERBSA-N -1 3 380.840 0.685 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574698617 949197903 /nfs/dbraw/zinc/19/79/03/949197903.db2.gz NAVNZYTXIZNDSC-IUCAKERBSA-N -1 3 380.840 0.685 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574698618 949199503 /nfs/dbraw/zinc/19/95/03/949199503.db2.gz NAVNZYTXIZNDSC-RKDXNWHRSA-N -1 3 380.840 0.685 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574698618 949199511 /nfs/dbraw/zinc/19/95/11/949199511.db2.gz NAVNZYTXIZNDSC-RKDXNWHRSA-N -1 3 380.840 0.685 20 0 GCADHM CC(C)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001574102848 949206628 /nfs/dbraw/zinc/20/66/28/949206628.db2.gz DANKUQORGXUNKZ-CYBMUJFWSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(=O)N1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001574102848 949206642 /nfs/dbraw/zinc/20/66/42/949206642.db2.gz DANKUQORGXUNKZ-CYBMUJFWSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C1=CCCC1)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575254668 949209778 /nfs/dbraw/zinc/20/97/78/949209778.db2.gz NXESAHICILHKGM-NHYWBVRUSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@H](NC(=O)C1=CCCC1)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575254668 949209801 /nfs/dbraw/zinc/20/98/01/949209801.db2.gz NXESAHICILHKGM-NHYWBVRUSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576151222 949210234 /nfs/dbraw/zinc/21/02/34/949210234.db2.gz DSBFTRJUOXJJGR-XIKOKIGWSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576151222 949210261 /nfs/dbraw/zinc/21/02/61/949210261.db2.gz DSBFTRJUOXJJGR-XIKOKIGWSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](NC(=O)C1=CCCC1)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575254669 949212550 /nfs/dbraw/zinc/21/25/50/949212550.db2.gz NXESAHICILHKGM-XHDPSFHLSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@H](NC(=O)C1=CCCC1)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575254669 949212572 /nfs/dbraw/zinc/21/25/72/949212572.db2.gz NXESAHICILHKGM-XHDPSFHLSA-N -1 3 385.428 0.651 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@@H](N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573791561 949218162 /nfs/dbraw/zinc/21/81/62/949218162.db2.gz BZAYXFJGPWJCJD-CYBMUJFWSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@H](N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573791563 949219028 /nfs/dbraw/zinc/21/90/28/949219028.db2.gz BZAYXFJGPWJCJD-ZDUSSCGKSA-N -1 3 385.476 0.426 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575255472 949233193 /nfs/dbraw/zinc/23/31/93/949233193.db2.gz QFOIXFJTEOEZDT-MFKMUULPSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575255472 949233221 /nfs/dbraw/zinc/23/32/21/949233221.db2.gz QFOIXFJTEOEZDT-MFKMUULPSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574938386 949239408 /nfs/dbraw/zinc/23/94/08/949239408.db2.gz UNZROMBPPGDQHX-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(F)c(F)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574938386 949239435 /nfs/dbraw/zinc/23/94/35/949239435.db2.gz UNZROMBPPGDQHX-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574451556 949239308 /nfs/dbraw/zinc/23/93/08/949239308.db2.gz SDEHOJMBNJIUCZ-AOOOYVTPSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574451556 949239324 /nfs/dbraw/zinc/23/93/24/949239324.db2.gz SDEHOJMBNJIUCZ-AOOOYVTPSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@H](N(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573792164 949241026 /nfs/dbraw/zinc/24/10/26/949241026.db2.gz MBPBWRSZIVAXFN-ZDUSSCGKSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@H](N(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573792164 949241051 /nfs/dbraw/zinc/24/10/51/949241051.db2.gz MBPBWRSZIVAXFN-ZDUSSCGKSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@H](N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573792354 949242176 /nfs/dbraw/zinc/24/21/76/949242176.db2.gz OSCYYPUSVQKXOU-ZDUSSCGKSA-N -1 3 385.476 0.426 20 0 GCADHM C[C@@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575256125 949242429 /nfs/dbraw/zinc/24/24/29/949242429.db2.gz STLLNDNXEHAMJS-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575256125 949242453 /nfs/dbraw/zinc/24/24/53/949242453.db2.gz STLLNDNXEHAMJS-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](c1cnccn1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575520938 949246732 /nfs/dbraw/zinc/24/67/32/949246732.db2.gz ASEVSMNIUGODFJ-BFQNTYOBSA-N -1 3 379.428 0.892 20 0 GCADHM CC(C)CC(=O)N1CC[C@H](N2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001574103483 949247331 /nfs/dbraw/zinc/24/73/31/949247331.db2.gz UWUUNUJKBFXIAR-AWEZNQCLSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)CC(=O)N1CC[C@H](N2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001574103483 949247352 /nfs/dbraw/zinc/24/73/52/949247352.db2.gz UWUUNUJKBFXIAR-AWEZNQCLSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)n1cc(C(=O)NC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)nn1 ZINC001574451952 949248227 /nfs/dbraw/zinc/24/82/27/949248227.db2.gz BSRTVXGGUZJQFL-UHFFFAOYSA-N -1 3 384.404 0.060 20 0 GCADHM CC(C)n1cc(C(=O)NC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)nn1 ZINC001574451952 949248255 /nfs/dbraw/zinc/24/82/55/949248255.db2.gz BSRTVXGGUZJQFL-UHFFFAOYSA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575256250 949248926 /nfs/dbraw/zinc/24/89/26/949248926.db2.gz ULQRWYPXSGWSCH-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575256250 949248945 /nfs/dbraw/zinc/24/89/45/949248945.db2.gz ULQRWYPXSGWSCH-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575256244 949249058 /nfs/dbraw/zinc/24/90/58/949249058.db2.gz ULQRWYPXSGWSCH-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575256244 949249076 /nfs/dbraw/zinc/24/90/76/949249076.db2.gz ULQRWYPXSGWSCH-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001575521012 949251615 /nfs/dbraw/zinc/25/16/15/949251615.db2.gz CLGSNOPGENEOEZ-GWCFXTLKSA-N -1 3 384.448 0.525 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001575521012 949251633 /nfs/dbraw/zinc/25/16/33/949251633.db2.gz CLGSNOPGENEOEZ-GWCFXTLKSA-N -1 3 384.448 0.525 20 0 GCADHM CC(C)(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573792568 949253627 /nfs/dbraw/zinc/25/36/27/949253627.db2.gz ASSAWNDBNPQFRV-BUXKBTBVSA-N -1 3 399.455 0.921 20 0 GCADHM CC(C)(C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573792568 949253649 /nfs/dbraw/zinc/25/36/49/949253649.db2.gz ASSAWNDBNPQFRV-BUXKBTBVSA-N -1 3 399.455 0.921 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574452210 949255532 /nfs/dbraw/zinc/25/55/32/949255532.db2.gz GHFGPLKOIUENMQ-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574452210 949255554 /nfs/dbraw/zinc/25/55/54/949255554.db2.gz GHFGPLKOIUENMQ-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001574452250 949257157 /nfs/dbraw/zinc/25/71/57/949257157.db2.gz HSUPWRJVDTYXGN-LLVKDONJSA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001574452250 949257177 /nfs/dbraw/zinc/25/71/77/949257177.db2.gz HSUPWRJVDTYXGN-LLVKDONJSA-N -1 3 384.404 0.012 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575521296 949257825 /nfs/dbraw/zinc/25/78/25/949257825.db2.gz FQAYQTJXQMCTCC-ISTVAULSSA-N -1 3 385.457 0.954 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575521296 949257843 /nfs/dbraw/zinc/25/78/43/949257843.db2.gz FQAYQTJXQMCTCC-ISTVAULSSA-N -1 3 385.457 0.954 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001574452254 949260039 /nfs/dbraw/zinc/26/00/39/949260039.db2.gz HTFXFWJFDAUOKX-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001574452254 949260059 /nfs/dbraw/zinc/26/00/59/949260059.db2.gz HTFXFWJFDAUOKX-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521577 949262281 /nfs/dbraw/zinc/26/22/81/949262281.db2.gz GVSSMHSDTWABTO-UWVGGRQHSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521577 949262299 /nfs/dbraw/zinc/26/22/99/949262299.db2.gz GVSSMHSDTWABTO-UWVGGRQHSA-N -1 3 391.461 0.172 20 0 GCADHM CC1(Nc2ncccc2-c2nnn[n-]2)CCN(C(=O)c2nccnc2N)CC1 ZINC001575857198 949264322 /nfs/dbraw/zinc/26/43/22/949264322.db2.gz PKESJBXRLUSKRM-UHFFFAOYSA-N -1 3 380.416 0.741 20 0 GCADHM CC1(Nc2ncccc2-c2nn[n-]n2)CCN(C(=O)c2nccnc2N)CC1 ZINC001575857198 949264345 /nfs/dbraw/zinc/26/43/45/949264345.db2.gz PKESJBXRLUSKRM-UHFFFAOYSA-N -1 3 380.416 0.741 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)cn1 ZINC001574452468 949264677 /nfs/dbraw/zinc/26/46/77/949264677.db2.gz KFNSDZQOWJPMAR-GFCCVEGCSA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)cn1 ZINC001574452468 949264712 /nfs/dbraw/zinc/26/47/12/949264712.db2.gz KFNSDZQOWJPMAR-GFCCVEGCSA-N -1 3 389.395 0.381 20 0 GCADHM C[C@@H](CN(C)C(=O)C1(C)CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574701783 949267100 /nfs/dbraw/zinc/26/71/00/949267100.db2.gz DDUKLPMETMQZOD-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)C1(C)CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574701783 949267119 /nfs/dbraw/zinc/26/71/19/949267119.db2.gz DDUKLPMETMQZOD-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)C1(C)CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574701782 949267453 /nfs/dbraw/zinc/26/74/53/949267453.db2.gz DDUKLPMETMQZOD-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)C1(C)CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574701782 949267476 /nfs/dbraw/zinc/26/74/76/949267476.db2.gz DDUKLPMETMQZOD-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC(C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575521961 949270263 /nfs/dbraw/zinc/27/02/63/949270263.db2.gz JHYYCTUSLUSUFW-NSHDSACASA-N -1 3 384.448 0.669 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC(C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575521961 949270288 /nfs/dbraw/zinc/27/02/88/949270288.db2.gz JHYYCTUSLUSUFW-NSHDSACASA-N -1 3 384.448 0.669 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575522488 949272410 /nfs/dbraw/zinc/27/24/10/949272410.db2.gz MBGNSYDINKRXKK-MWLCHTKSSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575522488 949272420 /nfs/dbraw/zinc/27/24/20/949272420.db2.gz MBGNSYDINKRXKK-MWLCHTKSSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153144 949272924 /nfs/dbraw/zinc/27/29/24/949272924.db2.gz KXKQFTVBFDBZBQ-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153144 949272944 /nfs/dbraw/zinc/27/29/44/949272944.db2.gz KXKQFTVBFDBZBQ-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001574452937 949274744 /nfs/dbraw/zinc/27/47/44/949274744.db2.gz RSPBBFUOBGKKNA-CQSZACIVSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001574452937 949274753 /nfs/dbraw/zinc/27/47/53/949274753.db2.gz RSPBBFUOBGKKNA-CQSZACIVSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574452939 949276024 /nfs/dbraw/zinc/27/60/24/949276024.db2.gz RTRNAYVCGVUMTO-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574452939 949276042 /nfs/dbraw/zinc/27/60/42/949276042.db2.gz RTRNAYVCGVUMTO-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)NCC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001574452887 949276325 /nfs/dbraw/zinc/27/63/25/949276325.db2.gz PYIDTIIOBCEZGX-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1cc(C(=O)NCC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001574452887 949276346 /nfs/dbraw/zinc/27/63/46/949276346.db2.gz PYIDTIIOBCEZGX-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCC1(F)F)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575257820 949283284 /nfs/dbraw/zinc/28/32/84/949283284.db2.gz CBSIGDDWQZHBTG-PSASIEDQSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCC1(F)F)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575257820 949283306 /nfs/dbraw/zinc/28/33/06/949283306.db2.gz CBSIGDDWQZHBTG-PSASIEDQSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575522961 949283909 /nfs/dbraw/zinc/28/39/09/949283909.db2.gz NOYMZNDASVMAJM-HKWIRBFKSA-N -1 3 385.457 0.715 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575522961 949283925 /nfs/dbraw/zinc/28/39/25/949283925.db2.gz NOYMZNDASVMAJM-HKWIRBFKSA-N -1 3 385.457 0.715 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575257916 949285799 /nfs/dbraw/zinc/28/57/99/949285799.db2.gz CTQMQCMXOXNZRA-MNOVXSKESA-N -1 3 387.400 0.050 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575257916 949285818 /nfs/dbraw/zinc/28/58/18/949285818.db2.gz CTQMQCMXOXNZRA-MNOVXSKESA-N -1 3 387.400 0.050 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575258029 949286532 /nfs/dbraw/zinc/28/65/32/949286532.db2.gz CXRUSOUUYLJGOP-LLVKDONJSA-N -1 3 388.403 0.831 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575258030 949286763 /nfs/dbraw/zinc/28/67/63/949286763.db2.gz CXRUSOUUYLJGOP-NSHDSACASA-N -1 3 388.403 0.831 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575257925 949287277 /nfs/dbraw/zinc/28/72/77/949287277.db2.gz CUDLCIPQGQFLKL-KWQFWETISA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575257925 949287299 /nfs/dbraw/zinc/28/72/99/949287299.db2.gz CUDLCIPQGQFLKL-KWQFWETISA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575258054 949289501 /nfs/dbraw/zinc/28/95/01/949289501.db2.gz DLYHBUQQKBHXNP-MNOVXSKESA-N -1 3 387.400 0.050 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575258054 949289525 /nfs/dbraw/zinc/28/95/25/949289525.db2.gz DLYHBUQQKBHXNP-MNOVXSKESA-N -1 3 387.400 0.050 20 0 GCADHM C[C@@H](c1cnccn1)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575523016 949289499 /nfs/dbraw/zinc/28/94/99/949289499.db2.gz OEQLOUMKVRCSAT-AAEUAGOBSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H](c1cnccn1)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575523016 949289519 /nfs/dbraw/zinc/28/95/19/949289519.db2.gz OEQLOUMKVRCSAT-AAEUAGOBSA-N -1 3 383.416 0.177 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573793185 949290604 /nfs/dbraw/zinc/29/06/04/949290604.db2.gz NQEPDYZIGMEYCT-JTQLQIEISA-N -1 3 375.408 0.959 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573793185 949290625 /nfs/dbraw/zinc/29/06/25/949290625.db2.gz NQEPDYZIGMEYCT-JTQLQIEISA-N -1 3 375.408 0.959 20 0 GCADHM C[C@]12CN(C(=O)c3ncc(-c4nnn[n-]4)cc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC001575860206 949291186 /nfs/dbraw/zinc/29/11/86/949291186.db2.gz DHBFTVFKOHAKDC-GASCZTMLSA-N -1 3 375.776 0.040 20 0 GCADHM C[C@]12CN(C(=O)c3ncc(-c4nn[n-]n4)cc3Cl)C[C@@]1(C)C(=O)NC2=O ZINC001575860206 949291207 /nfs/dbraw/zinc/29/12/07/949291207.db2.gz DHBFTVFKOHAKDC-GASCZTMLSA-N -1 3 375.776 0.040 20 0 GCADHM CC1=C(C)C[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)CC1 ZINC001575860085 949291708 /nfs/dbraw/zinc/29/17/08/949291708.db2.gz CVPCKAWVPXDEGM-MAZHCROVSA-N -1 3 399.455 0.633 20 0 GCADHM CC1=C(C)C[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)CC1 ZINC001575860085 949291730 /nfs/dbraw/zinc/29/17/30/949291730.db2.gz CVPCKAWVPXDEGM-MAZHCROVSA-N -1 3 399.455 0.633 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574454771 949291601 /nfs/dbraw/zinc/29/16/01/949291601.db2.gz DADJENWNRPSKAK-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574454771 949291620 /nfs/dbraw/zinc/29/16/20/949291620.db2.gz DADJENWNRPSKAK-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575860217 949292755 /nfs/dbraw/zinc/29/27/55/949292755.db2.gz DMCWUZDLHJXYBU-GFCCVEGCSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575860217 949292776 /nfs/dbraw/zinc/29/27/76/949292776.db2.gz DMCWUZDLHJXYBU-GFCCVEGCSA-N -1 3 385.428 0.952 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573793337 949293518 /nfs/dbraw/zinc/29/35/18/949293518.db2.gz PCIGXIZSXYZYIL-LLVKDONJSA-N -1 3 387.444 0.778 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573793337 949293537 /nfs/dbraw/zinc/29/35/37/949293537.db2.gz PCIGXIZSXYZYIL-LLVKDONJSA-N -1 3 387.444 0.778 20 0 GCADHM CC1=C(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860194 949293740 /nfs/dbraw/zinc/29/37/40/949293740.db2.gz DDLGNWVSMJZINJ-JTQLQIEISA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860194 949293760 /nfs/dbraw/zinc/29/37/60/949293760.db2.gz DDLGNWVSMJZINJ-JTQLQIEISA-N -1 3 385.428 0.856 20 0 GCADHM CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)c2cnccc2-c2nnn[n-]2)C1 ZINC001575860275 949300181 /nfs/dbraw/zinc/30/01/81/949300181.db2.gz GHYRGOQSJMFMNX-UHFFFAOYSA-N -1 3 396.411 0.952 20 0 GCADHM CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)c2cnccc2-c2nn[n-]n2)C1 ZINC001575860275 949300200 /nfs/dbraw/zinc/30/02/00/949300200.db2.gz GHYRGOQSJMFMNX-UHFFFAOYSA-N -1 3 396.411 0.952 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001574455019 949300878 /nfs/dbraw/zinc/30/08/78/949300878.db2.gz LISYVAONAAEUTD-BETUJISGSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001574455019 949300901 /nfs/dbraw/zinc/30/09/01/949300901.db2.gz LISYVAONAAEUTD-BETUJISGSA-N -1 3 383.416 0.663 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575524003 949307981 /nfs/dbraw/zinc/30/79/81/949307981.db2.gz RSXWDKCVLSTQCZ-KOLCDFICSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575524003 949307997 /nfs/dbraw/zinc/30/79/97/949307997.db2.gz RSXWDKCVLSTQCZ-KOLCDFICSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575524055 949308145 /nfs/dbraw/zinc/30/81/45/949308145.db2.gz SCPCUDBZSOSAEX-AAEUAGOBSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575524055 949308166 /nfs/dbraw/zinc/30/81/66/949308166.db2.gz SCPCUDBZSOSAEX-AAEUAGOBSA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)n1cc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(=O)[nH]c1=O ZINC001574455761 949309795 /nfs/dbraw/zinc/30/97/95/949309795.db2.gz WYTUFQAUOBVWFJ-ZDUSSCGKSA-N -1 3 385.384 0.060 20 0 GCADHM CC(C)n1cc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]c1=O ZINC001574455761 949309817 /nfs/dbraw/zinc/30/98/17/949309817.db2.gz WYTUFQAUOBVWFJ-ZDUSSCGKSA-N -1 3 385.384 0.060 20 0 GCADHM CC(C)n1cc(CN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)nn1 ZINC001574455678 949310447 /nfs/dbraw/zinc/31/04/47/949310447.db2.gz WMUKAXNXUWPHMT-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)nn1 ZINC001574455678 949310474 /nfs/dbraw/zinc/31/04/74/949310474.db2.gz WMUKAXNXUWPHMT-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574703058 949310809 /nfs/dbraw/zinc/31/08/09/949310809.db2.gz PYRVWCVTAVILGD-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574703058 949310831 /nfs/dbraw/zinc/31/08/31/949310831.db2.gz PYRVWCVTAVILGD-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM CC1=C(C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)[C@@H](C)n2nnnc2N1C ZINC001575860735 949310923 /nfs/dbraw/zinc/31/09/23/949310923.db2.gz LKTKGVHMXUMBDN-SSDOTTSWSA-N -1 3 382.392 0.377 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)cn1 ZINC001574455669 949311507 /nfs/dbraw/zinc/31/15/07/949311507.db2.gz VOTWLUCNJZNQLL-CABCVRRESA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)cn1 ZINC001574455669 949311529 /nfs/dbraw/zinc/31/15/29/949311529.db2.gz VOTWLUCNJZNQLL-CABCVRRESA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001574455772 949312085 /nfs/dbraw/zinc/31/20/85/949312085.db2.gz XPRHYFUPNNCGLL-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001574455772 949312105 /nfs/dbraw/zinc/31/21/05/949312105.db2.gz XPRHYFUPNNCGLL-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM C[C@H](c1ncccn1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575524129 949312699 /nfs/dbraw/zinc/31/26/99/949312699.db2.gz SFWPIFFAMCJPEY-ZRJCITRHSA-N -1 3 379.428 0.654 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576153954 949312829 /nfs/dbraw/zinc/31/28/29/949312829.db2.gz NMIRVSLEZKZSHV-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576153954 949312852 /nfs/dbraw/zinc/31/28/52/949312852.db2.gz NMIRVSLEZKZSHV-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM CC1=C(C(=O)NCC2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860916 949313440 /nfs/dbraw/zinc/31/34/40/949313440.db2.gz MPQHCGMXDCNTAW-UHFFFAOYSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NCC2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860916 949313463 /nfs/dbraw/zinc/31/34/63/949313463.db2.gz MPQHCGMXDCNTAW-UHFFFAOYSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)N(C)[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575860944 949314862 /nfs/dbraw/zinc/31/48/62/949314862.db2.gz NUCGXDUNMDPVQM-LBPRGKRZSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N(C)[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575860944 949314880 /nfs/dbraw/zinc/31/48/80/949314880.db2.gz NUCGXDUNMDPVQM-LBPRGKRZSA-N -1 3 385.428 0.952 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575524481 949316212 /nfs/dbraw/zinc/31/62/12/949316212.db2.gz SYVABBXXHMEUQS-ONGXEEELSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575524481 949316232 /nfs/dbraw/zinc/31/62/32/949316232.db2.gz SYVABBXXHMEUQS-ONGXEEELSA-N -1 3 389.445 0.238 20 0 GCADHM CC1=C(C(=O)N2CC[C@@](C)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575860927 949316049 /nfs/dbraw/zinc/31/60/49/949316049.db2.gz NDYWMMZMAQRTGM-GOSISDBHSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CC[C@@](C)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575860927 949316075 /nfs/dbraw/zinc/31/60/75/949316075.db2.gz NDYWMMZMAQRTGM-GOSISDBHSA-N -1 3 385.428 1.000 20 0 GCADHM C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575259404 949321548 /nfs/dbraw/zinc/32/15/48/949321548.db2.gz NYCHYHXJTLXCSR-WCQYABFASA-N -1 3 385.428 0.508 20 0 GCADHM C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575259404 949321562 /nfs/dbraw/zinc/32/15/62/949321562.db2.gz NYCHYHXJTLXCSR-WCQYABFASA-N -1 3 385.428 0.508 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574457324 949323524 /nfs/dbraw/zinc/32/35/24/949323524.db2.gz GJOKVVNPSNLEAK-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574457324 949323552 /nfs/dbraw/zinc/32/35/52/949323552.db2.gz GJOKVVNPSNLEAK-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC1=C(C(=O)NC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCO1 ZINC001575861524 949324097 /nfs/dbraw/zinc/32/40/97/949324097.db2.gz SXOAUWMFDFTMHM-OAHLLOKOSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCO1 ZINC001575861524 949324117 /nfs/dbraw/zinc/32/41/17/949324117.db2.gz SXOAUWMFDFTMHM-OAHLLOKOSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001575524573 949324009 /nfs/dbraw/zinc/32/40/09/949324009.db2.gz UVTMSEQOQJSJGN-LHMODEAPSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001575524573 949324025 /nfs/dbraw/zinc/32/40/25/949324025.db2.gz UVTMSEQOQJSJGN-LHMODEAPSA-N -1 3 382.432 0.420 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001575861511 949325561 /nfs/dbraw/zinc/32/55/61/949325561.db2.gz SSEIETMLPBHYKH-CYBMUJFWSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001575861511 949325583 /nfs/dbraw/zinc/32/55/83/949325583.db2.gz SSEIETMLPBHYKH-CYBMUJFWSA-N -1 3 385.428 0.952 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574109746 949329669 /nfs/dbraw/zinc/32/96/69/949329669.db2.gz CBBXQCSXJFLDEF-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574109746 949329689 /nfs/dbraw/zinc/32/96/89/949329689.db2.gz CBBXQCSXJFLDEF-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574457800 949329874 /nfs/dbraw/zinc/32/98/74/949329874.db2.gz ONNFRQOHKIFVAF-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574457800 949329894 /nfs/dbraw/zinc/32/98/94/949329894.db2.gz ONNFRQOHKIFVAF-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC1=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1 ZINC001575861791 949333240 /nfs/dbraw/zinc/33/32/40/949333240.db2.gz UUFVMZOQRRHVLE-STQMWFEESA-N -1 3 383.412 0.705 20 0 GCADHM CC1=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1 ZINC001575861791 949333266 /nfs/dbraw/zinc/33/32/66/949333266.db2.gz UUFVMZOQRRHVLE-STQMWFEESA-N -1 3 383.412 0.705 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574457613 949333699 /nfs/dbraw/zinc/33/36/99/949333699.db2.gz LKUZGNUOUGVMNK-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574457613 949333722 /nfs/dbraw/zinc/33/37/22/949333722.db2.gz LKUZGNUOUGVMNK-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576154337 949335783 /nfs/dbraw/zinc/33/57/83/949335783.db2.gz PPZRCTBGTUEZIL-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576154337 949335798 /nfs/dbraw/zinc/33/57/98/949335798.db2.gz PPZRCTBGTUEZIL-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575861843 949337937 /nfs/dbraw/zinc/33/79/37/949337937.db2.gz VYXWNMUYSUNNOW-LBPRGKRZSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575861843 949337961 /nfs/dbraw/zinc/33/79/61/949337961.db2.gz VYXWNMUYSUNNOW-LBPRGKRZSA-N -1 3 385.428 1.000 20 0 GCADHM C[C@H](c1nncn1C)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575525181 949338669 /nfs/dbraw/zinc/33/86/69/949338669.db2.gz WKQLDUARUFEVTO-YPMHNXCESA-N -1 3 384.448 0.669 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574942193 949339239 /nfs/dbraw/zinc/33/92/39/949339239.db2.gz XWIYVLDSPGVXLJ-LLVKDONJSA-N -1 3 392.423 0.916 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574942193 949339262 /nfs/dbraw/zinc/33/92/62/949339262.db2.gz XWIYVLDSPGVXLJ-LLVKDONJSA-N -1 3 392.423 0.916 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575259764 949340506 /nfs/dbraw/zinc/34/05/06/949340506.db2.gz QPGKHXURRTXEIH-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575259764 949340526 /nfs/dbraw/zinc/34/05/26/949340526.db2.gz QPGKHXURRTXEIH-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CC(=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574109987 949342881 /nfs/dbraw/zinc/34/28/81/949342881.db2.gz LBLUKDGWGNGGHA-QGZVFWFLSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574109987 949342901 /nfs/dbraw/zinc/34/29/01/949342901.db2.gz LBLUKDGWGNGGHA-QGZVFWFLSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)C1 ZINC001573796932 949344075 /nfs/dbraw/zinc/34/40/75/949344075.db2.gz XHPMPMJAROCCNE-HNNXBMFYSA-N -1 3 384.440 0.982 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)C1 ZINC001573796932 949344097 /nfs/dbraw/zinc/34/40/97/949344097.db2.gz XHPMPMJAROCCNE-HNNXBMFYSA-N -1 3 384.440 0.982 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575862214 949345936 /nfs/dbraw/zinc/34/59/36/949345936.db2.gz ZYLRNMMAZWRZSM-GFCCVEGCSA-N -1 3 385.428 0.858 20 0 GCADHM CC1=C(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575862214 949345958 /nfs/dbraw/zinc/34/59/58/949345958.db2.gz ZYLRNMMAZWRZSM-GFCCVEGCSA-N -1 3 385.428 0.858 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573797070 949349599 /nfs/dbraw/zinc/34/95/99/949349599.db2.gz ZXFRZKUESOGOTK-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573797070 949349616 /nfs/dbraw/zinc/34/96/16/949349616.db2.gz ZXFRZKUESOGOTK-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573798745 949352475 /nfs/dbraw/zinc/35/24/75/949352475.db2.gz DLBXQCHWMWFTOW-LBPRGKRZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573798745 949352495 /nfs/dbraw/zinc/35/24/95/949352495.db2.gz DLBXQCHWMWFTOW-LBPRGKRZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(C)CC(=O)N1CCN([C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001574110218 949355646 /nfs/dbraw/zinc/35/56/46/949355646.db2.gz VUUNMMCUFPCNGW-AWEZNQCLSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574459405 949359052 /nfs/dbraw/zinc/35/90/52/949359052.db2.gz FQLXLMZFGSIIFQ-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574459405 949359069 /nfs/dbraw/zinc/35/90/69/949359069.db2.gz FQLXLMZFGSIIFQ-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576154858 949362877 /nfs/dbraw/zinc/36/28/77/949362877.db2.gz FWHRUQYGWLWXAV-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576154858 949362910 /nfs/dbraw/zinc/36/29/10/949362910.db2.gz FWHRUQYGWLWXAV-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001575260724 949364182 /nfs/dbraw/zinc/36/41/82/949364182.db2.gz XCDNWRCCQLPUKP-VXGBXAGGSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001575260724 949364201 /nfs/dbraw/zinc/36/42/01/949364201.db2.gz XCDNWRCCQLPUKP-VXGBXAGGSA-N -1 3 386.460 0.873 20 0 GCADHM CC1=CC[C@@](C)(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)CC1 ZINC001575864894 949364956 /nfs/dbraw/zinc/36/49/56/949364956.db2.gz JPIIHWCZDVWQRN-SPYBWZPUSA-N -1 3 399.455 0.633 20 0 GCADHM CC1=CC[C@@](C)(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)CC1 ZINC001575864894 949364977 /nfs/dbraw/zinc/36/49/77/949364977.db2.gz JPIIHWCZDVWQRN-SPYBWZPUSA-N -1 3 399.455 0.633 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC(C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575526402 949369024 /nfs/dbraw/zinc/36/90/24/949369024.db2.gz ZEPSPNCJQFSKSZ-JTQLQIEISA-N -1 3 385.436 0.064 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC(C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575526402 949369047 /nfs/dbraw/zinc/36/90/47/949369047.db2.gz ZEPSPNCJQFSKSZ-JTQLQIEISA-N -1 3 385.436 0.064 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)Nc1ncc2c(c1-c1nnn[n-]1)COCC2 ZINC001575260972 949370644 /nfs/dbraw/zinc/37/06/44/949370644.db2.gz YSWHHCJMTSVBJV-JTQLQIEISA-N -1 3 385.428 0.968 20 0 GCADHM C[C@@](CNC(=O)Cc1ccon1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574942949 949371581 /nfs/dbraw/zinc/37/15/81/949371581.db2.gz TZNITIRLOVFBII-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)Cc1ccon1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574942949 949371608 /nfs/dbraw/zinc/37/16/08/949371608.db2.gz TZNITIRLOVFBII-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575527465 949375779 /nfs/dbraw/zinc/37/57/79/949375779.db2.gz CRNPGBBQSJMADH-XIKOKIGWSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575527465 949375798 /nfs/dbraw/zinc/37/57/98/949375798.db2.gz CRNPGBBQSJMADH-XIKOKIGWSA-N -1 3 384.444 0.437 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573799927 949378851 /nfs/dbraw/zinc/37/88/51/949378851.db2.gz RACKSSMHVWOHGS-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573799927 949378872 /nfs/dbraw/zinc/37/88/72/949378872.db2.gz RACKSSMHVWOHGS-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC1(C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCC1 ZINC001575527790 949380706 /nfs/dbraw/zinc/38/07/06/949380706.db2.gz HJADZEXDTGOFDN-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCC1 ZINC001575527790 949380729 /nfs/dbraw/zinc/38/07/29/949380729.db2.gz HJADZEXDTGOFDN-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575527952 949384476 /nfs/dbraw/zinc/38/44/76/949384476.db2.gz KFVPDMZWXQQITD-ACJLOTCBSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575527952 949384495 /nfs/dbraw/zinc/38/44/95/949384495.db2.gz KFVPDMZWXQQITD-ACJLOTCBSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C(=O)N2CC3(C2)C[C@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)CO3)CCC1 ZINC001575528184 949390940 /nfs/dbraw/zinc/39/09/40/949390940.db2.gz NWDARSYVWLLYAV-LBPRGKRZSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N2CC3(C2)C[C@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)CO3)CCC1 ZINC001575528184 949390966 /nfs/dbraw/zinc/39/09/66/949390966.db2.gz NWDARSYVWLLYAV-LBPRGKRZSA-N -1 3 385.428 0.485 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCOC1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575263320 949393948 /nfs/dbraw/zinc/39/39/48/949393948.db2.gz FYEZBDFDBHWUIL-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCOC1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575263320 949393973 /nfs/dbraw/zinc/39/39/73/949393973.db2.gz FYEZBDFDBHWUIL-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C(=O)N2CC3(C2)C[C@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)CO3)CCC1 ZINC001575528266 949395048 /nfs/dbraw/zinc/39/50/48/949395048.db2.gz QAICYOORQZPWFS-LBPRGKRZSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N2CC3(C2)C[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)CO3)CCC1 ZINC001575528266 949395065 /nfs/dbraw/zinc/39/50/65/949395065.db2.gz QAICYOORQZPWFS-LBPRGKRZSA-N -1 3 385.428 0.485 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575263279 949395243 /nfs/dbraw/zinc/39/52/43/949395243.db2.gz FMUGFMCRMLUQCF-SMDDNHRTSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575263279 949395265 /nfs/dbraw/zinc/39/52/65/949395265.db2.gz FMUGFMCRMLUQCF-SMDDNHRTSA-N -1 3 389.460 0.855 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573800607 949397293 /nfs/dbraw/zinc/39/72/93/949397293.db2.gz ZNOGYEYRARGXFP-LLVKDONJSA-N -1 3 390.423 0.258 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573800607 949397316 /nfs/dbraw/zinc/39/73/16/949397316.db2.gz ZNOGYEYRARGXFP-LLVKDONJSA-N -1 3 390.423 0.258 20 0 GCADHM CC1(C(=O)N2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC(F)(F)C1 ZINC001575528308 949397916 /nfs/dbraw/zinc/39/79/16/949397916.db2.gz RNLJMVJPKZTLPE-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM CC1(C(=O)N2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC(F)(F)C1 ZINC001575528308 949397941 /nfs/dbraw/zinc/39/79/41/949397941.db2.gz RNLJMVJPKZTLPE-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575528307 949398114 /nfs/dbraw/zinc/39/81/14/949398114.db2.gz RNDHAJCGHMPVMY-IUUKEHGRSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575528307 949398144 /nfs/dbraw/zinc/39/81/44/949398144.db2.gz RNDHAJCGHMPVMY-IUUKEHGRSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575528306 949398803 /nfs/dbraw/zinc/39/88/03/949398803.db2.gz RNDHAJCGHMPVMY-FTLABTOESA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575528306 949398824 /nfs/dbraw/zinc/39/88/24/949398824.db2.gz RNDHAJCGHMPVMY-FTLABTOESA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574944835 949401205 /nfs/dbraw/zinc/40/12/05/949401205.db2.gz HCIVJAUGYFNKJY-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574944835 949401211 /nfs/dbraw/zinc/40/12/11/949401211.db2.gz HCIVJAUGYFNKJY-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@H](CNC(=O)Cc1nc[nH]n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574945032 949405075 /nfs/dbraw/zinc/40/50/75/949405075.db2.gz JAZYWJLPQGRYEJ-ZCFIWIBFSA-N -1 3 382.841 0.502 20 0 GCADHM CC(C)CC(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001574114120 949406228 /nfs/dbraw/zinc/40/62/28/949406228.db2.gz RFAKIZGIPZAXIO-KRWDZBQOSA-N -1 3 377.424 0.894 20 0 GCADHM CC(C)CC(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001574114120 949406247 /nfs/dbraw/zinc/40/62/47/949406247.db2.gz RFAKIZGIPZAXIO-KRWDZBQOSA-N -1 3 377.424 0.894 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575532884 949407668 /nfs/dbraw/zinc/40/76/68/949407668.db2.gz CDVUCOBBOFSHQC-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575532884 949407687 /nfs/dbraw/zinc/40/76/87/949407687.db2.gz CDVUCOBBOFSHQC-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573801994 949409361 /nfs/dbraw/zinc/40/93/61/949409361.db2.gz BJKYZNJFRFMYJL-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573801994 949409371 /nfs/dbraw/zinc/40/93/71/949409371.db2.gz BJKYZNJFRFMYJL-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575263870 949410352 /nfs/dbraw/zinc/41/03/52/949410352.db2.gz KNNXRVSBSNBPRK-VXGBXAGGSA-N -1 3 389.460 0.713 20 0 GCADHM 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949420111 /nfs/dbraw/zinc/42/01/11/949420111.db2.gz OPJKNZNZBNPBCL-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CNC(=O)Cc1ncccc1F)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574945810 949420122 /nfs/dbraw/zinc/42/01/22/949420122.db2.gz OPJKNZNZBNPBCL-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575866608 949420749 /nfs/dbraw/zinc/42/07/49/949420749.db2.gz HDGCEXDBIZNJJX-PSASIEDQSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575866608 949420758 /nfs/dbraw/zinc/42/07/58/949420758.db2.gz HDGCEXDBIZNJJX-PSASIEDQSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575264219 949421092 /nfs/dbraw/zinc/42/10/92/949421092.db2.gz NAIIITRCFINUFX-BXUZGUMPSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575264219 949421102 /nfs/dbraw/zinc/42/11/02/949421102.db2.gz NAIIITRCFINUFX-BXUZGUMPSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573802451 949421888 /nfs/dbraw/zinc/42/18/88/949421888.db2.gz HQFSTZRFADOGLV-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573802451 949421906 /nfs/dbraw/zinc/42/19/06/949421906.db2.gz HQFSTZRFADOGLV-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573802452 949422043 /nfs/dbraw/zinc/42/20/43/949422043.db2.gz HQFSTZRFADOGLV-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573802452 949422059 /nfs/dbraw/zinc/42/20/59/949422059.db2.gz HQFSTZRFADOGLV-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576155937 949425844 /nfs/dbraw/zinc/42/58/44/949425844.db2.gz 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CC(C)n1cnc(C(=O)NCC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001574465070 949429085 /nfs/dbraw/zinc/42/90/85/949429085.db2.gz VWRMZRZUTDPOJI-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM C[C@H](NC(=O)[C@H]1COCCO1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575264553 949430021 /nfs/dbraw/zinc/43/00/21/949430021.db2.gz OMBWUMAYMBCQBJ-MEDUHNTESA-N -1 3 390.419 0.358 20 0 GCADHM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574946208 949431045 /nfs/dbraw/zinc/43/10/45/949431045.db2.gz SSCCKMAUIPSHMX-JTQLQIEISA-N -1 3 385.436 0.163 20 0 GCADHM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574946208 949431059 /nfs/dbraw/zinc/43/10/59/949431059.db2.gz SSCCKMAUIPSHMX-JTQLQIEISA-N -1 3 385.436 0.163 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576156186 949432359 /nfs/dbraw/zinc/43/23/59/949432359.db2.gz XOKISICIGBQLDB-OCCSQVGLSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 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YSKZSFWHYIGECY-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC1=NO[C@H](CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001575867463 949439394 /nfs/dbraw/zinc/43/93/94/949439394.db2.gz YSSVWIQXKJYTOX-AWEZNQCLSA-N -1 3 385.432 0.695 20 0 GCADHM CC1=NO[C@H](CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001575867463 949439408 /nfs/dbraw/zinc/43/94/08/949439408.db2.gz YSSVWIQXKJYTOX-AWEZNQCLSA-N -1 3 385.432 0.695 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573803500 949443562 /nfs/dbraw/zinc/44/35/62/949443562.db2.gz QKDPQYFAINDYDU-UHFFFAOYSA-N -1 3 391.501 0.781 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576156500 949446362 /nfs/dbraw/zinc/44/63/62/949446362.db2.gz WUECIMLJVZTVQG-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576156500 949446383 /nfs/dbraw/zinc/44/63/83/949446383.db2.gz WUECIMLJVZTVQG-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575265287 949447389 /nfs/dbraw/zinc/44/73/89/949447389.db2.gz TWUGMOSSRPQXOB-GHMZBOCLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575265287 949447400 /nfs/dbraw/zinc/44/74/00/949447400.db2.gz TWUGMOSSRPQXOB-GHMZBOCLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574947544 949448668 /nfs/dbraw/zinc/44/86/68/949448668.db2.gz BYTXEGMTZDQIJS-JTQLQIEISA-N -1 3 375.824 0.753 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574947544 949448686 /nfs/dbraw/zinc/44/86/86/949448686.db2.gz BYTXEGMTZDQIJS-JTQLQIEISA-N -1 3 375.824 0.753 20 0 GCADHM CC(C)CC(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574117171 949453652 /nfs/dbraw/zinc/45/36/52/949453652.db2.gz NBRZHCYQKGTDSK-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574117171 949453690 /nfs/dbraw/zinc/45/36/90/949453690.db2.gz NBRZHCYQKGTDSK-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574707305 949466892 /nfs/dbraw/zinc/46/68/92/949466892.db2.gz OOZYIVINLYTGSS-RISCZKNCSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574707305 949466904 /nfs/dbraw/zinc/46/69/04/949466904.db2.gz OOZYIVINLYTGSS-RISCZKNCSA-N -1 3 387.448 0.454 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001574468801 949468902 /nfs/dbraw/zinc/46/89/02/949468902.db2.gz RPLVZLSSUZUERT-TXEJJXNPSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001574468801 949468923 /nfs/dbraw/zinc/46/89/23/949468923.db2.gz RPLVZLSSUZUERT-TXEJJXNPSA-N -1 3 383.416 0.663 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574707632 949470055 /nfs/dbraw/zinc/47/00/55/949470055.db2.gz PCUNFODERPXQBC-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574707632 949470061 /nfs/dbraw/zinc/47/00/61/949470061.db2.gz PCUNFODERPXQBC-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@]1(C(=O)N2CCC(O)(CNc3ncccc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575536515 949471872 /nfs/dbraw/zinc/47/18/72/949471872.db2.gz IPFUODANRTYWQL-KRWDZBQOSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@]1(C(=O)N2CCC(O)(CNc3ncccc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575536515 949471888 /nfs/dbraw/zinc/47/18/88/949471888.db2.gz IPFUODANRTYWQL-KRWDZBQOSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574707633 949472724 /nfs/dbraw/zinc/47/27/24/949472724.db2.gz PCUNFODERPXQBC-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574707633 949472738 /nfs/dbraw/zinc/47/27/38/949472738.db2.gz PCUNFODERPXQBC-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574707815 949476309 /nfs/dbraw/zinc/47/63/09/949476309.db2.gz QPJGGOJWBPIXBH-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574707815 949476318 /nfs/dbraw/zinc/47/63/18/949476318.db2.gz QPJGGOJWBPIXBH-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574117872 949485770 /nfs/dbraw/zinc/48/57/70/949485770.db2.gz AAAYMFGFHINHSV-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574117872 949485782 /nfs/dbraw/zinc/48/57/82/949485782.db2.gz AAAYMFGFHINHSV-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574949158 949486856 /nfs/dbraw/zinc/48/68/56/949486856.db2.gz RIDFIECYHNWLLV-SECBINFHSA-N -1 3 391.823 0.227 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574949158 949486860 /nfs/dbraw/zinc/48/68/60/949486860.db2.gz RIDFIECYHNWLLV-SECBINFHSA-N -1 3 391.823 0.227 20 0 GCADHM CC(C)n1ncnc1CN1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574470135 949488955 /nfs/dbraw/zinc/48/89/55/949488955.db2.gz MOBYZVJDECGVHH-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574470135 949488969 /nfs/dbraw/zinc/48/89/69/949488969.db2.gz MOBYZVJDECGVHH-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574708210 949489365 /nfs/dbraw/zinc/48/93/65/949489365.db2.gz UDDKQGOXDYDRPZ-QWRGUYRKSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574708210 949489377 /nfs/dbraw/zinc/48/93/77/949489377.db2.gz UDDKQGOXDYDRPZ-QWRGUYRKSA-N -1 3 375.408 0.791 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574470139 949489501 /nfs/dbraw/zinc/48/95/01/949489501.db2.gz MRRYTCHZRJQPMF-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574470139 949489516 /nfs/dbraw/zinc/48/95/16/949489516.db2.gz MRRYTCHZRJQPMF-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573806475 949490151 /nfs/dbraw/zinc/49/01/51/949490151.db2.gz PCBHWARPZKPCOO-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573806475 949490163 /nfs/dbraw/zinc/49/01/63/949490163.db2.gz PCBHWARPZKPCOO-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574949460 949495884 /nfs/dbraw/zinc/49/58/84/949495884.db2.gz XDNZIAYKIXKFDK-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574949460 949495892 /nfs/dbraw/zinc/49/58/92/949495892.db2.gz XDNZIAYKIXKFDK-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC1(C(=O)N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOCC1 ZINC001575537722 949497522 /nfs/dbraw/zinc/49/75/22/949497522.db2.gz WUXRAJKJXGKCBZ-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOCC1 ZINC001575537722 949497535 /nfs/dbraw/zinc/49/75/35/949497535.db2.gz WUXRAJKJXGKCBZ-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573806803 949498338 /nfs/dbraw/zinc/49/83/38/949498338.db2.gz WTAMEISFJMWZHI-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573806803 949498352 /nfs/dbraw/zinc/49/83/52/949498352.db2.gz WTAMEISFJMWZHI-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574470413 949499128 /nfs/dbraw/zinc/49/91/28/949499128.db2.gz POSVTCGMZDFCRP-GFCCVEGCSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574470413 949499142 /nfs/dbraw/zinc/49/91/42/949499142.db2.gz POSVTCGMZDFCRP-GFCCVEGCSA-N -1 3 384.448 0.619 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575537714 949499578 /nfs/dbraw/zinc/49/95/78/949499578.db2.gz AOERCZMZRKIKMX-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575537714 949499589 /nfs/dbraw/zinc/49/95/89/949499589.db2.gz AOERCZMZRKIKMX-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574949589 949499926 /nfs/dbraw/zinc/49/99/26/949499926.db2.gz YFCWKYVAUOSKPP-SNVBAGLBSA-N -1 3 375.824 0.753 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574949589 949499939 /nfs/dbraw/zinc/49/99/39/949499939.db2.gz YFCWKYVAUOSKPP-SNVBAGLBSA-N -1 3 375.824 0.753 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574119822 949500684 /nfs/dbraw/zinc/50/06/84/949500684.db2.gz KAVUJSSLMBNRTO-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574119822 949500701 /nfs/dbraw/zinc/50/07/01/949500701.db2.gz KAVUJSSLMBNRTO-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1 ZINC001574119786 949501575 /nfs/dbraw/zinc/50/15/75/949501575.db2.gz JGQYWIHNTHHWBU-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1 ZINC001574119786 949501591 /nfs/dbraw/zinc/50/15/91/949501591.db2.gz JGQYWIHNTHHWBU-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573807936 949502066 /nfs/dbraw/zinc/50/20/66/949502066.db2.gz AKBJLQAFVLYYSG-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573807936 949502088 /nfs/dbraw/zinc/50/20/88/949502088.db2.gz AKBJLQAFVLYYSG-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnnc1 ZINC001573807991 949504591 /nfs/dbraw/zinc/50/45/91/949504591.db2.gz BWLPLXDRHIWMTQ-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnnc1 ZINC001573807991 949504612 /nfs/dbraw/zinc/50/46/12/949504612.db2.gz BWLPLXDRHIWMTQ-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC1(O)CCC1 ZINC001573807966 949504902 /nfs/dbraw/zinc/50/49/02/949504902.db2.gz BDWXYLJUOJFNQI-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1(O)CCC1 ZINC001573807966 949504920 /nfs/dbraw/zinc/50/49/20/949504920.db2.gz BDWXYLJUOJFNQI-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001575537913 949507920 /nfs/dbraw/zinc/50/79/20/949507920.db2.gz BSGGFARCHUFQCY-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001575537913 949507940 /nfs/dbraw/zinc/50/79/40/949507940.db2.gz BSGGFARCHUFQCY-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ccon1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808131 949509360 /nfs/dbraw/zinc/50/93/60/949509360.db2.gz CRNJWGWHFHWMJC-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ccon1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808131 949509373 /nfs/dbraw/zinc/50/93/73/949509373.db2.gz CRNJWGWHFHWMJC-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574949730 949509993 /nfs/dbraw/zinc/50/99/93/949509993.db2.gz BRYGLTDTIKJTPY-JTQLQIEISA-N -1 3 388.411 0.733 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574949730 949510008 /nfs/dbraw/zinc/51/00/08/949510008.db2.gz BRYGLTDTIKJTPY-JTQLQIEISA-N -1 3 388.411 0.733 20 0 GCADHM CC(C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)O1 ZINC001574120880 949512752 /nfs/dbraw/zinc/51/27/52/949512752.db2.gz OBNOECAMXCMECI-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)O1 ZINC001574120880 949512775 /nfs/dbraw/zinc/51/27/75/949512775.db2.gz OBNOECAMXCMECI-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(F)(F)C1 ZINC001575538017 949513521 /nfs/dbraw/zinc/51/35/21/949513521.db2.gz ZRWNJZLZMZXYGH-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(F)(F)C1 ZINC001575538017 949513548 /nfs/dbraw/zinc/51/35/48/949513548.db2.gz ZRWNJZLZMZXYGH-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808380 949513728 /nfs/dbraw/zinc/51/37/28/949513728.db2.gz FRVIOICBEQZLGB-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808380 949513747 /nfs/dbraw/zinc/51/37/47/949513747.db2.gz FRVIOICBEQZLGB-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)n1ncnc1CN(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574470812 949514831 /nfs/dbraw/zinc/51/48/31/949514831.db2.gz UTDJCYWAZGDTPH-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574470812 949514840 /nfs/dbraw/zinc/51/48/40/949514840.db2.gz UTDJCYWAZGDTPH-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnns1 ZINC001573808396 949514854 /nfs/dbraw/zinc/51/48/54/949514854.db2.gz FVNYBBPREPDQPO-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnns1 ZINC001573808396 949514866 /nfs/dbraw/zinc/51/48/66/949514866.db2.gz FVNYBBPREPDQPO-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574470816 949518609 /nfs/dbraw/zinc/51/86/09/949518609.db2.gz HEWPOTMUFGOBPG-NSHDSACASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574470816 949518629 /nfs/dbraw/zinc/51/86/29/949518629.db2.gz HEWPOTMUFGOBPG-NSHDSACASA-N -1 3 387.448 0.136 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1csnn1 ZINC001573808526 949518606 /nfs/dbraw/zinc/51/86/06/949518606.db2.gz GWVIFMQFQDGSPH-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1csnn1 ZINC001573808526 949518621 /nfs/dbraw/zinc/51/86/21/949518621.db2.gz GWVIFMQFQDGSPH-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808531 949519917 /nfs/dbraw/zinc/51/99/17/949519917.db2.gz GZKAGZFPQFWWAB-GWCFXTLKSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808531 949519923 /nfs/dbraw/zinc/51/99/23/949519923.db2.gz GZKAGZFPQFWWAB-GWCFXTLKSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccnnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808486 949520178 /nfs/dbraw/zinc/52/01/78/949520178.db2.gz GLVZMRJRFSQIAB-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccnnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808486 949520194 /nfs/dbraw/zinc/52/01/94/949520194.db2.gz GLVZMRJRFSQIAB-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808533 949520230 /nfs/dbraw/zinc/52/02/30/949520230.db2.gz GZKAGZFPQFWWAB-MFKMUULPSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808533 949520245 /nfs/dbraw/zinc/52/02/45/949520245.db2.gz GZKAGZFPQFWWAB-MFKMUULPSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808637 949520277 /nfs/dbraw/zinc/52/02/77/949520277.db2.gz HJSUXVQLZJYPGB-UZGDPCLZSA-N -1 3 387.444 0.348 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574710969 949520386 /nfs/dbraw/zinc/52/03/86/949520386.db2.gz CTEPIUOBKLOXTD-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574710969 949520401 /nfs/dbraw/zinc/52/04/01/949520401.db2.gz CTEPIUOBKLOXTD-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808637 949520288 /nfs/dbraw/zinc/52/02/88/949520288.db2.gz HJSUXVQLZJYPGB-UZGDPCLZSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808663 949522953 /nfs/dbraw/zinc/52/29/53/949522953.db2.gz HVDVDXRFXPGGFZ-QWHCGFSZSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808663 949522974 /nfs/dbraw/zinc/52/29/74/949522974.db2.gz HVDVDXRFXPGGFZ-QWHCGFSZSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C1=COCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808975 949527215 /nfs/dbraw/zinc/52/72/15/949527215.db2.gz KCPPMDLBBMRRLP-ZDUSSCGKSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C1=COCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808975 949527230 /nfs/dbraw/zinc/52/72/30/949527230.db2.gz KCPPMDLBBMRRLP-ZDUSSCGKSA-N -1 3 389.416 0.344 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CC1CCOCC1 ZINC001575268721 949527603 /nfs/dbraw/zinc/52/76/03/949527603.db2.gz OJGUHSYZOBNMJI-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CC1CCOCC1 ZINC001575268721 949527621 /nfs/dbraw/zinc/52/76/21/949527621.db2.gz OJGUHSYZOBNMJI-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)n1nnc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001574471094 949527531 /nfs/dbraw/zinc/52/75/31/949527531.db2.gz JDYURUFRKMILBX-UHFFFAOYSA-N -1 3 384.408 0.183 20 0 GCADHM CC(C)n1nnc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001574471094 949527548 /nfs/dbraw/zinc/52/75/48/949527548.db2.gz JDYURUFRKMILBX-UHFFFAOYSA-N -1 3 384.408 0.183 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1cnoc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809202 949532853 /nfs/dbraw/zinc/53/28/53/949532853.db2.gz NBLOFVHYAWLMGJ-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1cnoc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809202 949532864 /nfs/dbraw/zinc/53/28/64/949532864.db2.gz NBLOFVHYAWLMGJ-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cncnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809199 949533858 /nfs/dbraw/zinc/53/38/58/949533858.db2.gz MWLRHFCCMHJOEW-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cncnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809199 949533875 /nfs/dbraw/zinc/53/38/75/949533875.db2.gz MWLRHFCCMHJOEW-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574123082 949534462 /nfs/dbraw/zinc/53/44/62/949534462.db2.gz FOAXAOGSNCASBW-HDJSIYSDSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574123082 949534478 /nfs/dbraw/zinc/53/44/78/949534478.db2.gz FOAXAOGSNCASBW-HDJSIYSDSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576163433 949535458 /nfs/dbraw/zinc/53/54/58/949535458.db2.gz BERYHNOQYKHQIH-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576163433 949535469 /nfs/dbraw/zinc/53/54/69/949535469.db2.gz BERYHNOQYKHQIH-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccon1 ZINC001573809368 949535925 /nfs/dbraw/zinc/53/59/25/949535925.db2.gz OTQCTYINUMGLHE-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccon1 ZINC001573809368 949535941 /nfs/dbraw/zinc/53/59/41/949535941.db2.gz OTQCTYINUMGLHE-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cn1ccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809236 949536227 /nfs/dbraw/zinc/53/62/27/949536227.db2.gz NQMYQJROELEMQM-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cn1ccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809236 949536238 /nfs/dbraw/zinc/53/62/38/949536238.db2.gz NQMYQJROELEMQM-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576163431 949536533 /nfs/dbraw/zinc/53/65/33/949536533.db2.gz BERYHNOQYKHQIH-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576163431 949536548 /nfs/dbraw/zinc/53/65/48/949536548.db2.gz BERYHNOQYKHQIH-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccon1 ZINC001573809369 949536627 /nfs/dbraw/zinc/53/66/27/949536627.db2.gz OTQCTYINUMGLHE-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccon1 ZINC001573809369 949536643 /nfs/dbraw/zinc/53/66/43/949536643.db2.gz OTQCTYINUMGLHE-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573809371 949536671 /nfs/dbraw/zinc/53/66/71/949536671.db2.gz OUASZFHCKOTBRH-SRBZOADZSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573809371 949536694 /nfs/dbraw/zinc/53/66/94/949536694.db2.gz OUASZFHCKOTBRH-SRBZOADZSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CC1CCOCC1 ZINC001575269124 949537559 /nfs/dbraw/zinc/53/75/59/949537559.db2.gz RBMAAPHDUJRMMI-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CC1CCOCC1 ZINC001575269124 949537574 /nfs/dbraw/zinc/53/75/74/949537574.db2.gz RBMAAPHDUJRMMI-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575872168 949538563 /nfs/dbraw/zinc/53/85/63/949538563.db2.gz GZLXHRQDGMUXLV-WPRPVWTQSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575872168 949538585 /nfs/dbraw/zinc/53/85/85/949538585.db2.gz GZLXHRQDGMUXLV-WPRPVWTQSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576163583 949540983 /nfs/dbraw/zinc/54/09/83/949540983.db2.gz CDFQRBQTVNCODS-TZMCWYRMSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576163583 949540996 /nfs/dbraw/zinc/54/09/96/949540996.db2.gz CDFQRBQTVNCODS-TZMCWYRMSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576163941 949543885 /nfs/dbraw/zinc/54/38/85/949543885.db2.gz DHYDCKLNCQMOQA-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163941 949543904 /nfs/dbraw/zinc/54/39/04/949543904.db2.gz DHYDCKLNCQMOQA-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574471903 949543908 /nfs/dbraw/zinc/54/39/08/949543908.db2.gz OWBNFZFOXGVXMH-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574471903 949543922 /nfs/dbraw/zinc/54/39/22/949543922.db2.gz OWBNFZFOXGVXMH-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575872211 949544604 /nfs/dbraw/zinc/54/46/04/949544604.db2.gz HLPJKAZPFRCRIH-OCCSQVGLSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOC1 ZINC001575539130 949544521 /nfs/dbraw/zinc/54/45/21/949544521.db2.gz NCNQLTJIBPEVCS-KPZWWZAWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOC1 ZINC001575539130 949544537 /nfs/dbraw/zinc/54/45/37/949544537.db2.gz NCNQLTJIBPEVCS-KPZWWZAWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575872211 949544621 /nfs/dbraw/zinc/54/46/21/949544621.db2.gz HLPJKAZPFRCRIH-OCCSQVGLSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575269379 949546206 /nfs/dbraw/zinc/54/62/06/949546206.db2.gz UKMXQJDFDWIIRG-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575269379 949546228 /nfs/dbraw/zinc/54/62/28/949546228.db2.gz UKMXQJDFDWIIRG-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573809534 949546627 /nfs/dbraw/zinc/54/66/27/949546627.db2.gz RSPDQKKHCCAIOI-UZGDPCLZSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573809534 949546651 /nfs/dbraw/zinc/54/66/51/949546651.db2.gz RSPDQKKHCCAIOI-UZGDPCLZSA-N -1 3 387.444 0.348 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576164213 949548283 /nfs/dbraw/zinc/54/82/83/949548283.db2.gz FBLJXKHBJQFRIQ-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574950941 949548859 /nfs/dbraw/zinc/54/88/59/949548859.db2.gz USNLTYGZUQJHBU-YGRLFVJLSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574950941 949548877 /nfs/dbraw/zinc/54/88/77/949548877.db2.gz USNLTYGZUQJHBU-YGRLFVJLSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575269377 949549078 /nfs/dbraw/zinc/54/90/78/949549078.db2.gz UKMXQJDFDWIIRG-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575269377 949549092 /nfs/dbraw/zinc/54/90/92/949549092.db2.gz UKMXQJDFDWIIRG-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574951017 949550035 /nfs/dbraw/zinc/55/00/35/949550035.db2.gz WIPDLXOMAJYLCQ-VIFPVBQESA-N -1 3 389.399 0.128 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574951017 949550048 /nfs/dbraw/zinc/55/00/48/949550048.db2.gz WIPDLXOMAJYLCQ-VIFPVBQESA-N -1 3 389.399 0.128 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1n[nH]cc1F ZINC001573809675 949550057 /nfs/dbraw/zinc/55/00/57/949550057.db2.gz SPJPFYBPCHKLHM-NSHDSACASA-N -1 3 389.395 0.632 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576164224 949550918 /nfs/dbraw/zinc/55/09/18/949550918.db2.gz FILMEZVXHBBXPF-ZDUSSCGKSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576164224 949550930 /nfs/dbraw/zinc/55/09/30/949550930.db2.gz FILMEZVXHBBXPF-ZDUSSCGKSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711791 949555307 /nfs/dbraw/zinc/55/53/07/949555307.db2.gz MESMAZNKBFJQSF-WCQYABFASA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711791 949555313 /nfs/dbraw/zinc/55/53/13/949555313.db2.gz MESMAZNKBFJQSF-WCQYABFASA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575872741 949558920 /nfs/dbraw/zinc/55/89/20/949558920.db2.gz LEJHVSQAZFCRMV-VXGBXAGGSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575872741 949558938 /nfs/dbraw/zinc/55/89/38/949558938.db2.gz LEJHVSQAZFCRMV-VXGBXAGGSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574472933 949559358 /nfs/dbraw/zinc/55/93/58/949559358.db2.gz WUOJNVSADPSMNO-GWCFXTLKSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574472933 949559380 /nfs/dbraw/zinc/55/93/80/949559380.db2.gz WUOJNVSADPSMNO-GWCFXTLKSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncccn1 ZINC001573810044 949560163 /nfs/dbraw/zinc/56/01/63/949560163.db2.gz YCUFXFKVLUURAS-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncccn1 ZINC001573810044 949560174 /nfs/dbraw/zinc/56/01/74/949560174.db2.gz YCUFXFKVLUURAS-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1csnn1 ZINC001573810030 949562724 /nfs/dbraw/zinc/56/27/24/949562724.db2.gz XZKRDUHEJMMZEZ-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1csnn1 ZINC001573810030 949562738 /nfs/dbraw/zinc/56/27/38/949562738.db2.gz XZKRDUHEJMMZEZ-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ncccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573810052 949562876 /nfs/dbraw/zinc/56/28/76/949562876.db2.gz YFGSNERBMBXSKV-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ncccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573810052 949562892 /nfs/dbraw/zinc/56/28/92/949562892.db2.gz YFGSNERBMBXSKV-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574711969 949564343 /nfs/dbraw/zinc/56/43/43/949564343.db2.gz OUYCIWUTVBXKBU-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574711969 949564360 /nfs/dbraw/zinc/56/43/60/949564360.db2.gz OUYCIWUTVBXKBU-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573810125 949565234 /nfs/dbraw/zinc/56/52/34/949565234.db2.gz ZKCZOTHUWNICDH-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573810125 949565255 /nfs/dbraw/zinc/56/52/55/949565255.db2.gz ZKCZOTHUWNICDH-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574955687 949565210 /nfs/dbraw/zinc/56/52/10/949565210.db2.gz CPRUCWOAPZLHLG-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574955687 949565232 /nfs/dbraw/zinc/56/52/32/949565232.db2.gz CPRUCWOAPZLHLG-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573810127 949565965 /nfs/dbraw/zinc/56/59/65/949565965.db2.gz ZKCZOTHUWNICDH-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573810127 949565978 /nfs/dbraw/zinc/56/59/78/949565978.db2.gz ZKCZOTHUWNICDH-SMDDNHRTSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001574475473 949567103 /nfs/dbraw/zinc/56/71/03/949567103.db2.gz ANWFWQLSNRCJBN-OLZOCXBDSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001574475473 949567112 /nfs/dbraw/zinc/56/71/12/949567112.db2.gz ANWFWQLSNRCJBN-OLZOCXBDSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574475488 949567340 /nfs/dbraw/zinc/56/73/40/949567340.db2.gz AWEFLZAZXPGRHF-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574475488 949567358 /nfs/dbraw/zinc/56/73/58/949567358.db2.gz AWEFLZAZXPGRHF-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576166391 949576669 /nfs/dbraw/zinc/57/66/69/949576669.db2.gz LCDXZABXZUXJKS-SWLSCSKDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576166391 949576676 /nfs/dbraw/zinc/57/66/76/949576676.db2.gz LCDXZABXZUXJKS-SWLSCSKDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712388 949578204 /nfs/dbraw/zinc/57/82/04/949578204.db2.gz RYHMGCQXGPWVTQ-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM CC1(C(=O)N2CCC[C@@](CO)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCC1 ZINC001575540894 949578741 /nfs/dbraw/zinc/57/87/41/949578741.db2.gz ZVWHODGYWPQCQO-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CCC[C@@](CO)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCC1 ZINC001575540894 949578756 /nfs/dbraw/zinc/57/87/56/949578756.db2.gz ZVWHODGYWPQCQO-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712705 949585766 /nfs/dbraw/zinc/58/57/66/949585766.db2.gz TUGNPFNBNAZZMF-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574125248 949586045 /nfs/dbraw/zinc/58/60/45/949586045.db2.gz PBZGYPSZJHPOTN-KBPBESRZSA-N -1 3 386.460 0.446 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574125248 949586062 /nfs/dbraw/zinc/58/60/62/949586062.db2.gz PBZGYPSZJHPOTN-KBPBESRZSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](CC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574476141 949588356 /nfs/dbraw/zinc/58/83/56/949588356.db2.gz ATIMUGMDSQDSAD-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574476141 949588371 /nfs/dbraw/zinc/58/83/71/949588371.db2.gz ATIMUGMDSQDSAD-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712912 949589133 /nfs/dbraw/zinc/58/91/33/949589133.db2.gz VEXKIKVHSGATLT-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574712878 949589222 /nfs/dbraw/zinc/58/92/22/949589222.db2.gz UVEXYJRIQFTHIY-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574712878 949589235 /nfs/dbraw/zinc/58/92/35/949589235.db2.gz UVEXYJRIQFTHIY-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712743 949589532 /nfs/dbraw/zinc/58/95/32/949589532.db2.gz UCIJIAGQIQQGPD-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](NC(=O)CCCn1ccnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270507 949590152 /nfs/dbraw/zinc/59/01/52/949590152.db2.gz DDLNUJWYYVJKKP-NEPJUHHUSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574712876 949590965 /nfs/dbraw/zinc/59/09/65/949590965.db2.gz UVEXYJRIQFTHIY-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574712876 949590982 /nfs/dbraw/zinc/59/09/82/949590982.db2.gz UVEXYJRIQFTHIY-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001574476266 949591392 /nfs/dbraw/zinc/59/13/92/949591392.db2.gz FTKPUEIMFVBLOF-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001574476266 949591405 /nfs/dbraw/zinc/59/14/05/949591405.db2.gz FTKPUEIMFVBLOF-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575873840 949592283 /nfs/dbraw/zinc/59/22/83/949592283.db2.gz QKJUMIWAEPSQAX-PWSUYJOCSA-N -1 3 391.407 0.433 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575873840 949592302 /nfs/dbraw/zinc/59/23/02/949592302.db2.gz QKJUMIWAEPSQAX-PWSUYJOCSA-N -1 3 391.407 0.433 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574476277 949594079 /nfs/dbraw/zinc/59/40/79/949594079.db2.gz FUQZCSOTXXAPQZ-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574476277 949594095 /nfs/dbraw/zinc/59/40/95/949594095.db2.gz FUQZCSOTXXAPQZ-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574713137 949594348 /nfs/dbraw/zinc/59/43/48/949594348.db2.gz VZLUIIMWGKUMPC-MWLCHTKSSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574713137 949594364 /nfs/dbraw/zinc/59/43/64/949594364.db2.gz VZLUIIMWGKUMPC-MWLCHTKSSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001574476422 949598369 /nfs/dbraw/zinc/59/83/69/949598369.db2.gz CDQAVJRNUHLROT-JTQLQIEISA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001574476422 949598383 /nfs/dbraw/zinc/59/83/83/949598383.db2.gz CDQAVJRNUHLROT-JTQLQIEISA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001574476424 949601405 /nfs/dbraw/zinc/60/14/05/949601405.db2.gz CDQAVJRNUHLROT-SNVBAGLBSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001574476424 949601423 /nfs/dbraw/zinc/60/14/23/949601423.db2.gz CDQAVJRNUHLROT-SNVBAGLBSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](NC(=O)CC[C@@H]1CCCO1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575270725 949601872 /nfs/dbraw/zinc/60/18/72/949601872.db2.gz FSLLIIYXSXHFFU-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC[C@@H]1CCCO1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575270725 949601887 /nfs/dbraw/zinc/60/18/87/949601887.db2.gz FSLLIIYXSXHFFU-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM CC1(C(=O)N2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOCC1 ZINC001575545671 949604139 /nfs/dbraw/zinc/60/41/39/949604139.db2.gz NDNCAXIZLTZECO-UHFFFAOYSA-N -1 3 387.444 0.686 20 0 GCADHM CC1(C(=O)N2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOCC1 ZINC001575545671 949604155 /nfs/dbraw/zinc/60/41/55/949604155.db2.gz NDNCAXIZLTZECO-UHFFFAOYSA-N -1 3 387.444 0.686 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575271098 949609137 /nfs/dbraw/zinc/60/91/37/949609137.db2.gz IHFZPIVYHVQAKC-GHMZBOCLSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575271098 949609157 /nfs/dbraw/zinc/60/91/57/949609157.db2.gz IHFZPIVYHVQAKC-GHMZBOCLSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@]1(C(=O)N2CCCC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575546553 949612501 /nfs/dbraw/zinc/61/25/01/949612501.db2.gz RAARNDFOUQXJBI-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575546553 949612513 /nfs/dbraw/zinc/61/25/13/949612513.db2.gz RAARNDFOUQXJBI-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574713832 949613643 /nfs/dbraw/zinc/61/36/43/949613643.db2.gz YGDKDUMBTTWBCB-MNOVXSKESA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574713836 949614528 /nfs/dbraw/zinc/61/45/28/949614528.db2.gz YGDKDUMBTTWBCB-WDEREUQCSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@H](NC(=O)CC[C@@H]1CCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575271295 949615776 /nfs/dbraw/zinc/61/57/76/949615776.db2.gz JHVWMKWWXVUFCU-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)CC[C@@H]1CCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575271295 949615797 /nfs/dbraw/zinc/61/57/97/949615797.db2.gz JHVWMKWWXVUFCU-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575271451 949617731 /nfs/dbraw/zinc/61/77/31/949617731.db2.gz KKLOWMOYRFJWRA-MNOVXSKESA-N -1 3 390.448 0.076 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575271451 949617744 /nfs/dbraw/zinc/61/77/44/949617744.db2.gz KKLOWMOYRFJWRA-MNOVXSKESA-N -1 3 390.448 0.076 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001574476807 949618546 /nfs/dbraw/zinc/61/85/46/949618546.db2.gz HDKKCTJVDYUMTF-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001574476807 949618559 /nfs/dbraw/zinc/61/85/59/949618559.db2.gz HDKKCTJVDYUMTF-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874778 949619347 /nfs/dbraw/zinc/61/93/47/949619347.db2.gz GWMZRKDHWXOUCB-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874778 949619363 /nfs/dbraw/zinc/61/93/63/949619363.db2.gz GWMZRKDHWXOUCB-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874777 949620014 /nfs/dbraw/zinc/62/00/14/949620014.db2.gz GWMZRKDHWXOUCB-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874777 949620028 /nfs/dbraw/zinc/62/00/28/949620028.db2.gz GWMZRKDHWXOUCB-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575874841 949624376 /nfs/dbraw/zinc/62/43/76/949624376.db2.gz HKFUEFFMYHQVQG-HIFRSBDPSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575874841 949624387 /nfs/dbraw/zinc/62/43/87/949624387.db2.gz HKFUEFFMYHQVQG-HIFRSBDPSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574714140 949624682 /nfs/dbraw/zinc/62/46/82/949624682.db2.gz CLSCZLHCDHLUIZ-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574714140 949624699 /nfs/dbraw/zinc/62/46/99/949624699.db2.gz CLSCZLHCDHLUIZ-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874832 949624913 /nfs/dbraw/zinc/62/49/13/949624913.db2.gz HGTPJTNFDDDYPC-AAEUAGOBSA-N -1 3 382.432 0.486 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874832 949624926 /nfs/dbraw/zinc/62/49/26/949624926.db2.gz HGTPJTNFDDDYPC-AAEUAGOBSA-N -1 3 382.432 0.486 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001576168032 949627568 /nfs/dbraw/zinc/62/75/68/949627568.db2.gz BGHRSCNGEGQMSP-ZANVPECISA-N -1 3 386.395 0.872 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575271829 949627501 /nfs/dbraw/zinc/62/75/01/949627501.db2.gz MTBVXZNYDMCXCB-NWDGAFQWSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575271829 949627517 /nfs/dbraw/zinc/62/75/17/949627517.db2.gz MTBVXZNYDMCXCB-NWDGAFQWSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574476977 949629640 /nfs/dbraw/zinc/62/96/40/949629640.db2.gz MOXFYGOTINDWFB-LLVKDONJSA-N -1 3 389.464 0.605 20 0 GCADHM C[C@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574476977 949629649 /nfs/dbraw/zinc/62/96/49/949629649.db2.gz MOXFYGOTINDWFB-LLVKDONJSA-N -1 3 389.464 0.605 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574714842 949638327 /nfs/dbraw/zinc/63/83/27/949638327.db2.gz GTJCRPVBIGRAPX-JQWIXIFHSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574714842 949638339 /nfs/dbraw/zinc/63/83/39/949638339.db2.gz GTJCRPVBIGRAPX-JQWIXIFHSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575547771 949639892 /nfs/dbraw/zinc/63/98/92/949639892.db2.gz HCHNAJFWVXCVOR-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575547771 949639902 /nfs/dbraw/zinc/63/99/02/949639902.db2.gz HCHNAJFWVXCVOR-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576168517 949640841 /nfs/dbraw/zinc/64/08/41/949640841.db2.gz UZRVGTDQKMIKAF-SWLSCSKDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576168517 949640862 /nfs/dbraw/zinc/64/08/62/949640862.db2.gz UZRVGTDQKMIKAF-SWLSCSKDSA-N -1 3 389.460 0.978 20 0 GCADHM CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)CC1 ZINC001575547857 949642068 /nfs/dbraw/zinc/64/20/68/949642068.db2.gz HJEQVYPFEGBSNG-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)CC1 ZINC001575547857 949642087 /nfs/dbraw/zinc/64/20/87/949642087.db2.gz HJEQVYPFEGBSNG-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM C[C@@H](CC(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1)NC(N)=O ZINC001574477206 949643352 /nfs/dbraw/zinc/64/33/52/949643352.db2.gz LWNCRXIBDWRVAC-JQWIXIFHSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](CC(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1)NC(N)=O ZINC001574477206 949643367 /nfs/dbraw/zinc/64/33/67/949643367.db2.gz LWNCRXIBDWRVAC-JQWIXIFHSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876302 949645200 /nfs/dbraw/zinc/64/52/00/949645200.db2.gz JTLIBGKXIKQXBS-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876302 949645210 /nfs/dbraw/zinc/64/52/10/949645210.db2.gz JTLIBGKXIKQXBS-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715213 949647873 /nfs/dbraw/zinc/64/78/73/949647873.db2.gz HZBFXMNPAYYEMC-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715213 949647888 /nfs/dbraw/zinc/64/78/88/949647888.db2.gz HZBFXMNPAYYEMC-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574477330 949652530 /nfs/dbraw/zinc/65/25/30/949652530.db2.gz NBXCGIAULIBXDI-IAQYHMDHSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574477330 949652550 /nfs/dbraw/zinc/65/25/50/949652550.db2.gz NBXCGIAULIBXDI-IAQYHMDHSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1)NC(N)=O ZINC001574477362 949652637 /nfs/dbraw/zinc/65/26/37/949652637.db2.gz NFZLJJCODFGSGK-ZYHUDNBSSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1)NC(N)=O ZINC001574477362 949652654 /nfs/dbraw/zinc/65/26/54/949652654.db2.gz NFZLJJCODFGSGK-ZYHUDNBSSA-N -1 3 387.448 0.358 20 0 GCADHM CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)C2)CC1 ZINC001575548072 949655654 /nfs/dbraw/zinc/65/56/54/949655654.db2.gz ORXOIQNSVIZSEL-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)CC1 ZINC001575548072 949655669 /nfs/dbraw/zinc/65/56/69/949655669.db2.gz ORXOIQNSVIZSEL-GOSISDBHSA-N -1 3 385.428 0.438 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001574477461 949657464 /nfs/dbraw/zinc/65/74/64/949657464.db2.gz OGKZASZQMBCHGH-BXUZGUMPSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001574477461 949657482 /nfs/dbraw/zinc/65/74/82/949657482.db2.gz OGKZASZQMBCHGH-BXUZGUMPSA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)C2)CC1 ZINC001575548074 949657313 /nfs/dbraw/zinc/65/73/13/949657313.db2.gz ORXOIQNSVIZSEL-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)CC1 ZINC001575548074 949657329 /nfs/dbraw/zinc/65/73/29/949657329.db2.gz ORXOIQNSVIZSEL-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574958226 949659195 /nfs/dbraw/zinc/65/91/95/949659195.db2.gz HCCIPAFHHWLEMJ-RAIGVLPGSA-N -1 3 397.443 0.309 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574958226 949659208 /nfs/dbraw/zinc/65/92/08/949659208.db2.gz HCCIPAFHHWLEMJ-RAIGVLPGSA-N -1 3 397.443 0.309 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575877195 949659814 /nfs/dbraw/zinc/65/98/14/949659814.db2.gz LAIPVSFGMUSVBE-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575877195 949659827 /nfs/dbraw/zinc/65/98/27/949659827.db2.gz LAIPVSFGMUSVBE-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575877392 949663365 /nfs/dbraw/zinc/66/33/65/949663365.db2.gz ZNDCPZNNULDPOU-PWSUYJOCSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575877392 949663374 /nfs/dbraw/zinc/66/33/74/949663374.db2.gz ZNDCPZNNULDPOU-PWSUYJOCSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001574477566 949663750 /nfs/dbraw/zinc/66/37/50/949663750.db2.gz SETNYVAXLOJCPZ-IUODEOHRSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001574477566 949663770 /nfs/dbraw/zinc/66/37/70/949663770.db2.gz SETNYVAXLOJCPZ-IUODEOHRSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574958333 949665020 /nfs/dbraw/zinc/66/50/20/949665020.db2.gz PEKGZULBYODWRV-NXKACYDGSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574958333 949665038 /nfs/dbraw/zinc/66/50/38/949665038.db2.gz PEKGZULBYODWRV-NXKACYDGSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001574477564 949665169 /nfs/dbraw/zinc/66/51/69/949665169.db2.gz SETNYVAXLOJCPZ-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001574477564 949665186 /nfs/dbraw/zinc/66/51/86/949665186.db2.gz SETNYVAXLOJCPZ-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574958344 949666295 /nfs/dbraw/zinc/66/62/95/949666295.db2.gz IZVGMYHNIZHVFQ-BYCMXARLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574958344 949666309 /nfs/dbraw/zinc/66/63/09/949666309.db2.gz IZVGMYHNIZHVFQ-BYCMXARLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001574477568 949666263 /nfs/dbraw/zinc/66/62/63/949666263.db2.gz SETNYVAXLOJCPZ-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001574477568 949666278 /nfs/dbraw/zinc/66/62/78/949666278.db2.gz SETNYVAXLOJCPZ-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575273582 949667573 /nfs/dbraw/zinc/66/75/73/949667573.db2.gz WXXSIWNJWRTANP-NSHDSACASA-N -1 3 389.435 0.598 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574477648 949668502 /nfs/dbraw/zinc/66/85/02/949668502.db2.gz PWRMYHDVKYFGFC-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574477648 949668517 /nfs/dbraw/zinc/66/85/17/949668517.db2.gz PWRMYHDVKYFGFC-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574131855 949669016 /nfs/dbraw/zinc/66/90/16/949669016.db2.gz MWXBBWNAMRIYKU-LERXQTSPSA-N -1 3 375.433 0.179 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574131855 949669031 /nfs/dbraw/zinc/66/90/31/949669031.db2.gz MWXBBWNAMRIYKU-LERXQTSPSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574958442 949671977 /nfs/dbraw/zinc/67/19/77/949671977.db2.gz JSCGSIQVUPWMNH-TUKIKUTGSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574958442 949671989 /nfs/dbraw/zinc/67/19/89/949671989.db2.gz JSCGSIQVUPWMNH-TUKIKUTGSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878170 949674921 /nfs/dbraw/zinc/67/49/21/949674921.db2.gz NOSJBOCCPKILSS-STQMWFEESA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878170 949674937 /nfs/dbraw/zinc/67/49/37/949674937.db2.gz NOSJBOCCPKILSS-STQMWFEESA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H](NC(=O)CCN1C(=O)CCC1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575273781 949675091 /nfs/dbraw/zinc/67/50/91/949675091.db2.gz YALAFUPPUYHWLL-QWRGUYRKSA-N -1 3 386.416 0.106 20 0 GCADHM C[C@H](NC(=O)CCN1C(=O)CCC1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575273781 949675105 /nfs/dbraw/zinc/67/51/05/949675105.db2.gz YALAFUPPUYHWLL-QWRGUYRKSA-N -1 3 386.416 0.106 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575548373 949675213 /nfs/dbraw/zinc/67/52/13/949675213.db2.gz YQJZFVBPUMBOEA-SJCJKPOMSA-N -1 3 391.407 0.467 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575548373 949675225 /nfs/dbraw/zinc/67/52/25/949675225.db2.gz YQJZFVBPUMBOEA-SJCJKPOMSA-N -1 3 391.407 0.467 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574132034 949676400 /nfs/dbraw/zinc/67/64/00/949676400.db2.gz PCCOJHKGJPSZMY-QWHCGFSZSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574132034 949676412 /nfs/dbraw/zinc/67/64/12/949676412.db2.gz PCCOJHKGJPSZMY-QWHCGFSZSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575552192 949677185 /nfs/dbraw/zinc/67/71/85/949677185.db2.gz BWKHUUCCUKAEGZ-PZROIBLQSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575552192 949677199 /nfs/dbraw/zinc/67/71/99/949677199.db2.gz BWKHUUCCUKAEGZ-PZROIBLQSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575274122 949678000 /nfs/dbraw/zinc/67/80/00/949678000.db2.gz YVTVNBUYKKFVHK-QWRGUYRKSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575274122 949678011 /nfs/dbraw/zinc/67/80/11/949678011.db2.gz YVTVNBUYKKFVHK-QWRGUYRKSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@H](CC(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(N)=O ZINC001574477858 949679983 /nfs/dbraw/zinc/67/99/83/949679983.db2.gz SJVBIGKETJIBCL-MRVPVSSYSA-N -1 3 381.828 0.232 20 0 GCADHM C[C@H](CC(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(N)=O ZINC001574477858 949679999 /nfs/dbraw/zinc/67/99/99/949679999.db2.gz SJVBIGKETJIBCL-MRVPVSSYSA-N -1 3 381.828 0.232 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574958567 949680546 /nfs/dbraw/zinc/68/05/46/949680546.db2.gz LHLWVNTXUKEJCI-KGYLQXTDSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574958567 949680555 /nfs/dbraw/zinc/68/05/55/949680555.db2.gz LHLWVNTXUKEJCI-KGYLQXTDSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ncccc1-c1nnn[n-]1 ZINC001574958632 949682964 /nfs/dbraw/zinc/68/29/64/949682964.db2.gz LURASCLRVYRLMJ-BYCMXARLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ncccc1-c1nn[n-]n1 ZINC001574958632 949682985 /nfs/dbraw/zinc/68/29/85/949682985.db2.gz LURASCLRVYRLMJ-BYCMXARLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1ccn(C)n1 ZINC001575274612 949686901 /nfs/dbraw/zinc/68/69/01/949686901.db2.gz AQKWWDMRSFPWKI-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1ccn(C)n1 ZINC001575274612 949686916 /nfs/dbraw/zinc/68/69/16/949686916.db2.gz AQKWWDMRSFPWKI-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573816913 949687549 /nfs/dbraw/zinc/68/75/49/949687549.db2.gz VLZKYZKDUZGSCJ-BXUZGUMPSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573816913 949687563 /nfs/dbraw/zinc/68/75/63/949687563.db2.gz VLZKYZKDUZGSCJ-BXUZGUMPSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576169756 949688795 /nfs/dbraw/zinc/68/87/95/949688795.db2.gz HZTFMLNGSSYJTD-DOMZBBRYSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576169756 949688811 /nfs/dbraw/zinc/68/88/11/949688811.db2.gz HZTFMLNGSSYJTD-DOMZBBRYSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]3C2)CCCOC1 ZINC001575553724 949691793 /nfs/dbraw/zinc/69/17/93/949691793.db2.gz PBWUBSLQEBJXEJ-KHYOSLBOSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)CCCOC1 ZINC001575553724 949691807 /nfs/dbraw/zinc/69/18/07/949691807.db2.gz PBWUBSLQEBJXEJ-KHYOSLBOSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@H](CC(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574478057 949693789 /nfs/dbraw/zinc/69/37/89/949693789.db2.gz UQHPUAYARIFREF-NSHDSACASA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574478057 949693802 /nfs/dbraw/zinc/69/38/02/949693802.db2.gz UQHPUAYARIFREF-NSHDSACASA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716443 949694368 /nfs/dbraw/zinc/69/43/68/949694368.db2.gz ONZFRFJEJUORLV-VXGBXAGGSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716443 949694375 /nfs/dbraw/zinc/69/43/75/949694375.db2.gz ONZFRFJEJUORLV-VXGBXAGGSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574958819 949694480 /nfs/dbraw/zinc/69/44/80/949694480.db2.gz WWBDLONONHDQKK-GASQSECBSA-N -1 3 391.407 0.369 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574958819 949694505 /nfs/dbraw/zinc/69/45/05/949694505.db2.gz WWBDLONONHDQKK-GASQSECBSA-N -1 3 391.407 0.369 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716442 949695488 /nfs/dbraw/zinc/69/54/88/949695488.db2.gz ONZFRFJEJUORLV-RYUDHWBXSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716442 949695498 /nfs/dbraw/zinc/69/54/98/949695498.db2.gz ONZFRFJEJUORLV-RYUDHWBXSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573817107 949695908 /nfs/dbraw/zinc/69/59/08/949695908.db2.gz XDNCMHJQCPQJBI-UGSOOPFHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573817107 949695918 /nfs/dbraw/zinc/69/59/18/949695918.db2.gz XDNCMHJQCPQJBI-UGSOOPFHSA-N -1 3 386.460 0.873 20 0 GCADHM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001575554328 949697246 /nfs/dbraw/zinc/69/72/46/949697246.db2.gz RVMNEBMAJRPZJC-RYUDHWBXSA-N -1 3 385.428 0.437 20 0 GCADHM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001575554328 949697258 /nfs/dbraw/zinc/69/72/58/949697258.db2.gz RVMNEBMAJRPZJC-RYUDHWBXSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575880252 949697546 /nfs/dbraw/zinc/69/75/46/949697546.db2.gz SWVGLOJLAGKYNX-OCCSQVGLSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575880252 949697556 /nfs/dbraw/zinc/69/75/56/949697556.db2.gz SWVGLOJLAGKYNX-OCCSQVGLSA-N -1 3 382.432 0.417 20 0 GCADHM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575554592 949698046 /nfs/dbraw/zinc/69/80/46/949698046.db2.gz VBDNNDRMWZWMSQ-STQMWFEESA-N -1 3 385.428 0.437 20 0 GCADHM CC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575554592 949698056 /nfs/dbraw/zinc/69/80/56/949698056.db2.gz VBDNNDRMWZWMSQ-STQMWFEESA-N -1 3 385.428 0.437 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573817277 949698494 /nfs/dbraw/zinc/69/84/94/949698494.db2.gz ZDNSLFFDEBKUJM-ZDUSSCGKSA-N -1 3 383.416 0.602 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573817277 949698507 /nfs/dbraw/zinc/69/85/07/949698507.db2.gz ZDNSLFFDEBKUJM-ZDUSSCGKSA-N -1 3 383.416 0.602 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575880217 949698789 /nfs/dbraw/zinc/69/87/89/949698789.db2.gz SJJJIQBFRKYTBH-STQMWFEESA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575880217 949698804 /nfs/dbraw/zinc/69/88/04/949698804.db2.gz SJJJIQBFRKYTBH-STQMWFEESA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574716698 949701359 /nfs/dbraw/zinc/70/13/59/949701359.db2.gz LARQIGHNIWYCQX-ZJUUUORDSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574716698 949701371 /nfs/dbraw/zinc/70/13/71/949701371.db2.gz LARQIGHNIWYCQX-ZJUUUORDSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccncc1 ZINC001574478326 949702721 /nfs/dbraw/zinc/70/27/21/949702721.db2.gz WNSLDUAMOIMPFY-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccncc1 ZINC001574478326 949702743 /nfs/dbraw/zinc/70/27/43/949702743.db2.gz WNSLDUAMOIMPFY-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573817325 949703056 /nfs/dbraw/zinc/70/30/56/949703056.db2.gz ZJPLGXNUKUELPV-RISCZKNCSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573817325 949703069 /nfs/dbraw/zinc/70/30/69/949703069.db2.gz ZJPLGXNUKUELPV-RISCZKNCSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001574478349 949705303 /nfs/dbraw/zinc/70/53/03/949705303.db2.gz WSLXGEQUEJUWKK-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001574478349 949705324 /nfs/dbraw/zinc/70/53/24/949705324.db2.gz WSLXGEQUEJUWKK-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575275868 949706807 /nfs/dbraw/zinc/70/68/07/949706807.db2.gz FMNOVZQDFKJFDI-LBPRGKRZSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575275868 949706826 /nfs/dbraw/zinc/70/68/26/949706826.db2.gz FMNOVZQDFKJFDI-LBPRGKRZSA-N -1 3 392.485 0.238 20 0 GCADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC001575557224 949710721 /nfs/dbraw/zinc/71/07/21/949710721.db2.gz DNLCXMXUFBETJW-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC001575557224 949710734 /nfs/dbraw/zinc/71/07/34/949710734.db2.gz DNLCXMXUFBETJW-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880962 949711995 /nfs/dbraw/zinc/71/19/95/949711995.db2.gz WIFZBNQFUSWQGD-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880962 949712021 /nfs/dbraw/zinc/71/20/21/949712021.db2.gz WIFZBNQFUSWQGD-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276200 949712665 /nfs/dbraw/zinc/71/26/65/949712665.db2.gz HVHAUWZDGOVNHD-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276200 949712687 /nfs/dbraw/zinc/71/26/87/949712687.db2.gz HVHAUWZDGOVNHD-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170464 949718226 /nfs/dbraw/zinc/71/82/26/949718226.db2.gz LARUNJUKIDVQAM-BXUZGUMPSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170464 949718242 /nfs/dbraw/zinc/71/82/42/949718242.db2.gz LARUNJUKIDVQAM-BXUZGUMPSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574478766 949719176 /nfs/dbraw/zinc/71/91/76/949719176.db2.gz AIUATVFPXRMCEZ-NSHDSACASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574478766 949719187 /nfs/dbraw/zinc/71/91/87/949719187.db2.gz AIUATVFPXRMCEZ-NSHDSACASA-N -1 3 387.448 0.136 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574134148 949719346 /nfs/dbraw/zinc/71/93/46/949719346.db2.gz HFDLEDNFRUZRJZ-NWDGAFQWSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574134148 949719362 /nfs/dbraw/zinc/71/93/62/949719362.db2.gz HFDLEDNFRUZRJZ-NWDGAFQWSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574478782 949719445 /nfs/dbraw/zinc/71/94/45/949719445.db2.gz APXHVNKDTYGCHX-NSHDSACASA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574478782 949719454 /nfs/dbraw/zinc/71/94/54/949719454.db2.gz APXHVNKDTYGCHX-NSHDSACASA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576170460 949719431 /nfs/dbraw/zinc/71/94/31/949719431.db2.gz KXAHVHOYUUGFNP-AAEUAGOBSA-N -1 3 382.432 0.662 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574134149 949719642 /nfs/dbraw/zinc/71/96/42/949719642.db2.gz HFDLEDNFRUZRJZ-RYUDHWBXSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574134149 949719659 /nfs/dbraw/zinc/71/96/59/949719659.db2.gz HFDLEDNFRUZRJZ-RYUDHWBXSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574478816 949723061 /nfs/dbraw/zinc/72/30/61/949723061.db2.gz AWNIHSVDFSBHLX-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574478816 949723080 /nfs/dbraw/zinc/72/30/80/949723080.db2.gz AWNIHSVDFSBHLX-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575881520 949723565 /nfs/dbraw/zinc/72/35/65/949723565.db2.gz YULILBKQXSZKNQ-SCZZXKLOSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575881520 949723585 /nfs/dbraw/zinc/72/35/85/949723585.db2.gz YULILBKQXSZKNQ-SCZZXKLOSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276714 949727107 /nfs/dbraw/zinc/72/71/07/949727107.db2.gz KPBARYAQIQKKDW-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276714 949727127 /nfs/dbraw/zinc/72/71/27/949727127.db2.gz KPBARYAQIQKKDW-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574479238 949727902 /nfs/dbraw/zinc/72/79/02/949727902.db2.gz CVUIBSNKPAXVMH-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574479238 949727919 /nfs/dbraw/zinc/72/79/19/949727919.db2.gz CVUIBSNKPAXVMH-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1ccnc1 ZINC001574479078 949730908 /nfs/dbraw/zinc/73/09/08/949730908.db2.gz COURNWSPWLYRSO-LBPRGKRZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1ccnc1 ZINC001574479078 949730919 /nfs/dbraw/zinc/73/09/19/949730919.db2.gz COURNWSPWLYRSO-LBPRGKRZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576170726 949733539 /nfs/dbraw/zinc/73/35/39/949733539.db2.gz NQVSZQMZYRUDKN-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576170726 949733552 /nfs/dbraw/zinc/73/35/52/949733552.db2.gz NQVSZQMZYRUDKN-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001575881769 949734743 /nfs/dbraw/zinc/73/47/43/949734743.db2.gz AQQKIMLEUOXSBN-JSGCOSHPSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574479277 949735435 /nfs/dbraw/zinc/73/54/35/949735435.db2.gz DFLADGZIGAZSRM-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574479277 949735448 /nfs/dbraw/zinc/73/54/48/949735448.db2.gz DFLADGZIGAZSRM-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574479681 949736832 /nfs/dbraw/zinc/73/68/32/949736832.db2.gz FLKQQKRGNAFDDQ-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574479681 949736842 /nfs/dbraw/zinc/73/68/42/949736842.db2.gz FLKQQKRGNAFDDQ-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575881856 949737879 /nfs/dbraw/zinc/73/78/79/949737879.db2.gz CGFLHIFECAKECY-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575881856 949737894 /nfs/dbraw/zinc/73/78/94/949737894.db2.gz CGFLHIFECAKECY-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001574135801 949738779 /nfs/dbraw/zinc/73/87/79/949738779.db2.gz MXLFTJQGVBQCGT-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001574135801 949738794 /nfs/dbraw/zinc/73/87/94/949738794.db2.gz MXLFTJQGVBQCGT-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCOC1 ZINC001575558490 949739871 /nfs/dbraw/zinc/73/98/71/949739871.db2.gz QBPGCBBEWIFZEP-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCOC1 ZINC001575558490 949739896 /nfs/dbraw/zinc/73/98/96/949739896.db2.gz QBPGCBBEWIFZEP-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](NC(=O)CCOCC(F)F)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277053 949740685 /nfs/dbraw/zinc/74/06/85/949740685.db2.gz NFMIGNXQHYWTDL-RKDXNWHRSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@@H](NC(=O)CCOCC(F)F)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277053 949740703 /nfs/dbraw/zinc/74/07/03/949740703.db2.gz NFMIGNXQHYWTDL-RKDXNWHRSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574479727 949743046 /nfs/dbraw/zinc/74/30/46/949743046.db2.gz GJWUMZVZSPFZKY-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574479727 949743060 /nfs/dbraw/zinc/74/30/60/949743060.db2.gz GJWUMZVZSPFZKY-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170995 949743256 /nfs/dbraw/zinc/74/32/56/949743256.db2.gz OMKYRVAIHCQDMX-TZMCWYRMSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881953 949743692 /nfs/dbraw/zinc/74/36/92/949743692.db2.gz DMZKWTAKOCIDNB-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881953 949743710 /nfs/dbraw/zinc/74/37/10/949743710.db2.gz DMZKWTAKOCIDNB-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574480137 949743917 /nfs/dbraw/zinc/74/39/17/949743917.db2.gz GYVGYYHLDKLJHN-AAEUAGOBSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574480137 949743938 /nfs/dbraw/zinc/74/39/38/949743938.db2.gz GYVGYYHLDKLJHN-AAEUAGOBSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](NC(=O)CCc1ccncn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277300 949744494 /nfs/dbraw/zinc/74/44/94/949744494.db2.gz PUGIZKMIECVGPS-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1ccncn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277300 949744508 /nfs/dbraw/zinc/74/45/08/949744508.db2.gz PUGIZKMIECVGPS-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1csnn1 ZINC001575881996 949749305 /nfs/dbraw/zinc/74/93/05/949749305.db2.gz FBSQAPQIWQSWAD-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1csnn1 ZINC001575881996 949749322 /nfs/dbraw/zinc/74/93/22/949749322.db2.gz FBSQAPQIWQSWAD-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575882098 949752254 /nfs/dbraw/zinc/75/22/54/949752254.db2.gz GDIUXVTUDDVNDL-MFKMUULPSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575882098 949752270 /nfs/dbraw/zinc/75/22/70/949752270.db2.gz GDIUXVTUDDVNDL-MFKMUULPSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnns1 ZINC001575882103 949754332 /nfs/dbraw/zinc/75/43/32/949754332.db2.gz GDQJUTAMTVDEKP-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnns1 ZINC001575882103 949754346 /nfs/dbraw/zinc/75/43/46/949754346.db2.gz GDQJUTAMTVDEKP-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574718046 949756003 /nfs/dbraw/zinc/75/60/03/949756003.db2.gz RMORQDHUPQHZEP-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574718046 949756025 /nfs/dbraw/zinc/75/60/25/949756025.db2.gz RMORQDHUPQHZEP-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576171317 949756102 /nfs/dbraw/zinc/75/61/02/949756102.db2.gz QGLXBNVQFLSRLS-QWHCGFSZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576171317 949756117 /nfs/dbraw/zinc/75/61/17/949756117.db2.gz QGLXBNVQFLSRLS-QWHCGFSZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cccnn1 ZINC001575882197 949756459 /nfs/dbraw/zinc/75/64/59/949756459.db2.gz HSJNFIQQCLWADR-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cccnn1 ZINC001575882197 949756481 /nfs/dbraw/zinc/75/64/81/949756481.db2.gz HSJNFIQQCLWADR-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNc2ncccc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575559551 949758329 /nfs/dbraw/zinc/75/83/29/949758329.db2.gz WFUCOCNCHMVRJU-FZKQIMNGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNc2ncccc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575559551 949758347 /nfs/dbraw/zinc/75/83/47/949758347.db2.gz WFUCOCNCHMVRJU-FZKQIMNGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574963758 949758937 /nfs/dbraw/zinc/75/89/37/949758937.db2.gz MIAAZXNKEQUFFF-IAQYHMDHSA-N -1 3 389.435 0.611 20 0 GCADHM CC(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574137373 949759973 /nfs/dbraw/zinc/75/99/73/949759973.db2.gz STXMMSYTYHXFPZ-LBPRGKRZSA-N -1 3 377.449 0.428 20 0 GCADHM CC(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574137373 949759993 /nfs/dbraw/zinc/75/99/93/949759993.db2.gz STXMMSYTYHXFPZ-LBPRGKRZSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576171423 949761171 /nfs/dbraw/zinc/76/11/71/949761171.db2.gz QDCVKWZRUWJCJR-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576171423 949761189 /nfs/dbraw/zinc/76/11/89/949761189.db2.gz QDCVKWZRUWJCJR-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575882267 949761853 /nfs/dbraw/zinc/76/18/53/949761853.db2.gz IEQIJLOKWNHGJN-PYISLEMLSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575882267 949761870 /nfs/dbraw/zinc/76/18/70/949761870.db2.gz IEQIJLOKWNHGJN-PYISLEMLSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)CCOC1 ZINC001575559659 949763031 /nfs/dbraw/zinc/76/30/31/949763031.db2.gz XPINKMACLKLAQZ-QSUJAYFNSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)CCOC1 ZINC001575559659 949763059 /nfs/dbraw/zinc/76/30/59/949763059.db2.gz XPINKMACLKLAQZ-QSUJAYFNSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@H](NC(=O)CCc1ccco1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575278183 949763604 /nfs/dbraw/zinc/76/36/04/949763604.db2.gz UDDUOJOJINSWIY-LLVKDONJSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](NC(=O)CCc1ccco1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575278183 949763631 /nfs/dbraw/zinc/76/36/31/949763631.db2.gz UDDUOJOJINSWIY-LLVKDONJSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1cccnc1 ZINC001575278190 949764949 /nfs/dbraw/zinc/76/49/49/949764949.db2.gz UFVXOUVEIAXEFS-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1cccnc1 ZINC001575278190 949764965 /nfs/dbraw/zinc/76/49/65/949764965.db2.gz UFVXOUVEIAXEFS-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574964047 949767425 /nfs/dbraw/zinc/76/74/25/949767425.db2.gz OVKCHVAOJBIXEX-JOYOIKCWSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574964047 949767440 /nfs/dbraw/zinc/76/74/40/949767440.db2.gz OVKCHVAOJBIXEX-JOYOIKCWSA-N -1 3 376.396 0.234 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCNC1=O ZINC001573821310 949768426 /nfs/dbraw/zinc/76/84/26/949768426.db2.gz AAKRFJGOQJWSIQ-QWHCGFSZSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCNC1=O ZINC001573821310 949768437 /nfs/dbraw/zinc/76/84/37/949768437.db2.gz AAKRFJGOQJWSIQ-QWHCGFSZSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](NC(=O)CCc1ccon1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575278752 949769659 /nfs/dbraw/zinc/76/96/59/949769659.db2.gz VHTPGNONIMNIOH-SNVBAGLBSA-N -1 3 384.400 0.392 20 0 GCADHM C[C@@H](NC(=O)CCc1ccon1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575278752 949769681 /nfs/dbraw/zinc/76/96/81/949769681.db2.gz VHTPGNONIMNIOH-SNVBAGLBSA-N -1 3 384.400 0.392 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575882326 949769628 /nfs/dbraw/zinc/76/96/28/949769628.db2.gz IUMZXKLLNCEEMH-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575882326 949769655 /nfs/dbraw/zinc/76/96/55/949769655.db2.gz IUMZXKLLNCEEMH-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCOC1 ZINC001575559954 949770593 /nfs/dbraw/zinc/77/05/93/949770593.db2.gz ZTVMTLONFFYUKJ-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCOC1 ZINC001575559954 949770605 /nfs/dbraw/zinc/77/06/05/949770605.db2.gz ZTVMTLONFFYUKJ-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)COCC1CC1 ZINC001575882382 949771192 /nfs/dbraw/zinc/77/11/92/949771192.db2.gz JVHWZCYDHMDBLY-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)COCC1CC1 ZINC001575882382 949771198 /nfs/dbraw/zinc/77/11/98/949771198.db2.gz JVHWZCYDHMDBLY-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574718268 949771520 /nfs/dbraw/zinc/77/15/20/949771520.db2.gz UVEAPILMKKWNOC-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574718268 949771537 /nfs/dbraw/zinc/77/15/37/949771537.db2.gz UVEAPILMKKWNOC-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574964280 949771661 /nfs/dbraw/zinc/77/16/61/949771661.db2.gz SWRLTYHLMYGRSR-CMPLNLGQSA-N -1 3 375.408 0.615 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574964280 949771684 /nfs/dbraw/zinc/77/16/84/949771684.db2.gz SWRLTYHLMYGRSR-CMPLNLGQSA-N -1 3 375.408 0.615 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574718271 949772036 /nfs/dbraw/zinc/77/20/36/949772036.db2.gz UVEAPILMKKWNOC-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574718271 949772052 /nfs/dbraw/zinc/77/20/52/949772052.db2.gz UVEAPILMKKWNOC-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576171652 949772972 /nfs/dbraw/zinc/77/29/72/949772972.db2.gz QWRVNVKMXPSLMB-OCCSQVGLSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576171652 949772985 /nfs/dbraw/zinc/77/29/85/949772985.db2.gz QWRVNVKMXPSLMB-OCCSQVGLSA-N -1 3 389.460 0.572 20 0 GCADHM CC1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCCC1 ZINC001575559937 949773524 /nfs/dbraw/zinc/77/35/24/949773524.db2.gz ZLIUYMXPXFMVGS-GFCCVEGCSA-N -1 3 389.460 0.762 20 0 GCADHM CC1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCCC1 ZINC001575559937 949773542 /nfs/dbraw/zinc/77/35/42/949773542.db2.gz ZLIUYMXPXFMVGS-GFCCVEGCSA-N -1 3 389.460 0.762 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CC=CCC1 ZINC001575559963 949773711 /nfs/dbraw/zinc/77/37/11/949773711.db2.gz ZUDUACLJFRVQFH-GLJUWKHASA-N -1 3 385.428 0.243 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CC=CCC1 ZINC001575559963 949773736 /nfs/dbraw/zinc/77/37/36/949773736.db2.gz ZUDUACLJFRVQFH-GLJUWKHASA-N -1 3 385.428 0.243 20 0 GCADHM C[C@H](NC(=O)CCc1cccnc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575278855 949773692 /nfs/dbraw/zinc/77/36/92/949773692.db2.gz WGVKQEZIABDAMZ-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](NC(=O)CCc1cccnc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575278855 949773710 /nfs/dbraw/zinc/77/37/10/949773710.db2.gz WGVKQEZIABDAMZ-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CC=CCC1 ZINC001575559964 949773993 /nfs/dbraw/zinc/77/39/93/949773993.db2.gz ZUDUACLJFRVQFH-QWQRMKEZSA-N -1 3 385.428 0.243 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CC=CCC1 ZINC001575559964 949774008 /nfs/dbraw/zinc/77/40/08/949774008.db2.gz ZUDUACLJFRVQFH-QWQRMKEZSA-N -1 3 385.428 0.243 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574138026 949778171 /nfs/dbraw/zinc/77/81/71/949778171.db2.gz ZEXNCSTZVMHPHT-DGCLKSJQSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574138026 949778187 /nfs/dbraw/zinc/77/81/87/949778187.db2.gz ZEXNCSTZVMHPHT-DGCLKSJQSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574137895 949778740 /nfs/dbraw/zinc/77/87/40/949778740.db2.gz YQUMVNIPKDNMDE-GXTWGEPZSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574137895 949778755 /nfs/dbraw/zinc/77/87/55/949778755.db2.gz YQUMVNIPKDNMDE-GXTWGEPZSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccnnc1 ZINC001575882471 949778843 /nfs/dbraw/zinc/77/88/43/949778843.db2.gz LJGCLAOYAHVVSC-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccnnc1 ZINC001575882471 949778862 /nfs/dbraw/zinc/77/88/62/949778862.db2.gz LJGCLAOYAHVVSC-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574138060 949779482 /nfs/dbraw/zinc/77/94/82/949779482.db2.gz ZQIRLLWMKWNHNU-DGCLKSJQSA-N -1 3 377.449 0.426 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574138060 949779489 /nfs/dbraw/zinc/77/94/89/949779489.db2.gz ZQIRLLWMKWNHNU-DGCLKSJQSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575560179 949779854 /nfs/dbraw/zinc/77/98/54/949779854.db2.gz LVFPEWBWOLFGOV-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575560179 949779868 /nfs/dbraw/zinc/77/98/68/949779868.db2.gz LVFPEWBWOLFGOV-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001574138131 949781836 /nfs/dbraw/zinc/78/18/36/949781836.db2.gz AZQQCJJIHONARE-DFBGVHRSSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001574138131 949781853 /nfs/dbraw/zinc/78/18/53/949781853.db2.gz AZQQCJJIHONARE-DFBGVHRSSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574481492 949782327 /nfs/dbraw/zinc/78/23/27/949782327.db2.gz QMDCQJDEMQYGER-QWHCGFSZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@]1(C(=O)NC2(CCO)CN(Cc3ccccc3-c3nnn[n-]3)C2)CCOC1 ZINC001575560331 949785133 /nfs/dbraw/zinc/78/51/33/949785133.db2.gz ONMAZEBCVXQTRU-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@@]1(C(=O)NC2(CCO)CN(Cc3ccccc3-c3nn[n-]n3)C2)CCOC1 ZINC001575560331 949785148 /nfs/dbraw/zinc/78/51/48/949785148.db2.gz ONMAZEBCVXQTRU-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576172019 949785904 /nfs/dbraw/zinc/78/59/04/949785904.db2.gz UHQUFJIZPJRONU-WCQYABFASA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576172019 949785917 /nfs/dbraw/zinc/78/59/17/949785917.db2.gz UHQUFJIZPJRONU-WCQYABFASA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574481559 949787544 /nfs/dbraw/zinc/78/75/44/949787544.db2.gz RNLUDSRRUXKQFU-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574481559 949787558 /nfs/dbraw/zinc/78/75/58/949787558.db2.gz RNLUDSRRUXKQFU-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574964696 949788759 /nfs/dbraw/zinc/78/87/59/949788759.db2.gz ZQSHHBABYWBHOR-JOYOIKCWSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574964696 949788766 /nfs/dbraw/zinc/78/87/66/949788766.db2.gz ZQSHHBABYWBHOR-JOYOIKCWSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574481557 949788895 /nfs/dbraw/zinc/78/88/95/949788895.db2.gz RNLUDSRRUXKQFU-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574481557 949788906 /nfs/dbraw/zinc/78/89/06/949788906.db2.gz RNLUDSRRUXKQFU-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](NC(=O)CCc1ccn(C)n1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575279755 949789195 /nfs/dbraw/zinc/78/91/95/949789195.db2.gz ZJWKGCINONOPNO-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1ccn(C)n1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575279755 949789209 /nfs/dbraw/zinc/78/92/09/949789209.db2.gz ZJWKGCINONOPNO-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574964964 949789702 /nfs/dbraw/zinc/78/97/02/949789702.db2.gz CKJSPVGWMVRMGE-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574964964 949789717 /nfs/dbraw/zinc/78/97/17/949789717.db2.gz CKJSPVGWMVRMGE-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574481554 949790392 /nfs/dbraw/zinc/79/03/92/949790392.db2.gz RNIUSWUJSZYPOC-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574481554 949790410 /nfs/dbraw/zinc/79/04/10/949790410.db2.gz RNIUSWUJSZYPOC-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)COc1ccsc1 ZINC001575280847 949791185 /nfs/dbraw/zinc/79/11/85/949791185.db2.gz AKRHFJCHSPKWPA-VHSXEESVSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)COc1ccsc1 ZINC001575280847 949791195 /nfs/dbraw/zinc/79/11/95/949791195.db2.gz AKRHFJCHSPKWPA-VHSXEESVSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@H](NC(=O)COc1ccsc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575280846 949792667 /nfs/dbraw/zinc/79/26/67/949792667.db2.gz AKRHFJCHSPKWPA-UWVGGRQHSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@H](NC(=O)COc1ccsc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575280846 949792688 /nfs/dbraw/zinc/79/26/88/949792688.db2.gz AKRHFJCHSPKWPA-UWVGGRQHSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574964895 949792862 /nfs/dbraw/zinc/79/28/62/949792862.db2.gz BQEHDUOGZZURIS-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574964895 949792880 /nfs/dbraw/zinc/79/28/80/949792880.db2.gz BQEHDUOGZZURIS-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575882829 949793109 /nfs/dbraw/zinc/79/31/09/949793109.db2.gz ATXHIOQCXLOVQZ-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575882829 949793123 /nfs/dbraw/zinc/79/31/23/949793123.db2.gz ATXHIOQCXLOVQZ-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573822371 949793915 /nfs/dbraw/zinc/79/39/15/949793915.db2.gz ICSCXLGKQISGPK-SCVCMEIPSA-N -1 3 390.423 0.465 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573822371 949793934 /nfs/dbraw/zinc/79/39/34/949793934.db2.gz ICSCXLGKQISGPK-SCVCMEIPSA-N -1 3 390.423 0.465 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574481626 949794137 /nfs/dbraw/zinc/79/41/37/949794137.db2.gz SEIIZGUOTGAUPS-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574481626 949794152 /nfs/dbraw/zinc/79/41/52/949794152.db2.gz SEIIZGUOTGAUPS-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172139 949794529 /nfs/dbraw/zinc/79/45/29/949794529.db2.gz VOOLMGJHXQGHOU-YPMHNXCESA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575883032 949795692 /nfs/dbraw/zinc/79/56/92/949795692.db2.gz PDFUGMYODFHQMZ-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575883032 949795699 /nfs/dbraw/zinc/79/56/99/949795699.db2.gz PDFUGMYODFHQMZ-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCC(=O)N1 ZINC001573822616 949796378 /nfs/dbraw/zinc/79/63/78/949796378.db2.gz KSBPTJRENOWYIY-VXGBXAGGSA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCC(=O)N1 ZINC001573822616 949796394 /nfs/dbraw/zinc/79/63/94/949796394.db2.gz KSBPTJRENOWYIY-VXGBXAGGSA-N -1 3 390.423 0.622 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574481777 949799225 /nfs/dbraw/zinc/79/92/25/949799225.db2.gz VJDYNFKCEKCZGN-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574481777 949799239 /nfs/dbraw/zinc/79/92/39/949799239.db2.gz VJDYNFKCEKCZGN-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573822754 949800611 /nfs/dbraw/zinc/80/06/11/949800611.db2.gz MDKRAOZKXXSTDH-AAEUAGOBSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573822754 949800647 /nfs/dbraw/zinc/80/06/47/949800647.db2.gz MDKRAOZKXXSTDH-AAEUAGOBSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](CNC(=O)c1[nH]ncc1Br)Nc1ncccc1-c1nnn[n-]1 ZINC001574965538 949801967 /nfs/dbraw/zinc/80/19/67/949801967.db2.gz GTKLUMAZZOHKST-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1[nH]ncc1Br)Nc1ncccc1-c1nn[n-]n1 ZINC001574965538 949801987 /nfs/dbraw/zinc/80/19/87/949801987.db2.gz GTKLUMAZZOHKST-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@@H](NC(=O)COc1ccsc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575281101 949804051 /nfs/dbraw/zinc/80/40/51/949804051.db2.gz DCFXQTCKMWPVLQ-NXEZZACHSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@@H](NC(=O)COc1ccsc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575281101 949804069 /nfs/dbraw/zinc/80/40/69/949804069.db2.gz DCFXQTCKMWPVLQ-NXEZZACHSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574481916 949806959 /nfs/dbraw/zinc/80/69/59/949806959.db2.gz XLYJNQWIXXLXEO-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574481916 949806980 /nfs/dbraw/zinc/80/69/80/949806980.db2.gz XLYJNQWIXXLXEO-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCC[C@@H](C)C1 ZINC001576172408 949807019 /nfs/dbraw/zinc/80/70/19/949807019.db2.gz WUAMMHFCPQNPEY-OLZOCXBDSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574481903 949811368 /nfs/dbraw/zinc/81/13/68/949811368.db2.gz XHYFESAZCNLGHF-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574481903 949811399 /nfs/dbraw/zinc/81/13/99/949811399.db2.gz XHYFESAZCNLGHF-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574965728 949811302 /nfs/dbraw/zinc/81/13/02/949811302.db2.gz KIVNBUFNZWOOFC-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574965728 949811314 /nfs/dbraw/zinc/81/13/14/949811314.db2.gz KIVNBUFNZWOOFC-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574965755 949811626 /nfs/dbraw/zinc/81/16/26/949811626.db2.gz LHRSBAFEENOBOS-WQAKAFBOSA-N -1 3 375.408 0.064 20 0 GCADHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574965755 949811640 /nfs/dbraw/zinc/81/16/40/949811640.db2.gz LHRSBAFEENOBOS-WQAKAFBOSA-N -1 3 375.408 0.064 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COCC(F)F ZINC001575883369 949816153 /nfs/dbraw/zinc/81/61/53/949816153.db2.gz FBRRLEUUCHPRGK-WCBMZHEXSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COCC(F)F ZINC001575883369 949816172 /nfs/dbraw/zinc/81/61/72/949816172.db2.gz FBRRLEUUCHPRGK-WCBMZHEXSA-N -1 3 383.359 0.196 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574139582 949817704 /nfs/dbraw/zinc/81/77/04/949817704.db2.gz KZEWVWNRHDNQEG-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574139582 949817725 /nfs/dbraw/zinc/81/77/25/949817725.db2.gz KZEWVWNRHDNQEG-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575562254 949820106 /nfs/dbraw/zinc/82/01/06/949820106.db2.gz FGPISUZMFQTPBB-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575562254 949820120 /nfs/dbraw/zinc/82/01/20/949820120.db2.gz FGPISUZMFQTPBB-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575562258 949822795 /nfs/dbraw/zinc/82/27/95/949822795.db2.gz FGPISUZMFQTPBB-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575562258 949822813 /nfs/dbraw/zinc/82/28/13/949822813.db2.gz FGPISUZMFQTPBB-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)C1=CCOCC1 ZINC001575883625 949822803 /nfs/dbraw/zinc/82/28/03/949822803.db2.gz RVFRDQALLAAENY-BXUZGUMPSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)C1=CCOCC1 ZINC001575883625 949822826 /nfs/dbraw/zinc/82/28/26/949822826.db2.gz RVFRDQALLAAENY-BXUZGUMPSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)c1ccon1 ZINC001576172900 949826710 /nfs/dbraw/zinc/82/67/10/949826710.db2.gz ZCFRGMJUWZYQII-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1ccon1 ZINC001576172900 949826726 /nfs/dbraw/zinc/82/67/26/949826726.db2.gz ZCFRGMJUWZYQII-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccn1 ZINC001574483514 949827640 /nfs/dbraw/zinc/82/76/40/949827640.db2.gz BEDVDKFPPRXTIO-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccn1 ZINC001574483514 949827663 /nfs/dbraw/zinc/82/76/63/949827663.db2.gz BEDVDKFPPRXTIO-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575562391 949829093 /nfs/dbraw/zinc/82/90/93/949829093.db2.gz GLDBONIIEPQARU-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575562391 949829114 /nfs/dbraw/zinc/82/91/14/949829114.db2.gz GLDBONIIEPQARU-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575282414 949830600 /nfs/dbraw/zinc/83/06/00/949830600.db2.gz BKFPWUYRQNSHPG-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575282414 949830622 /nfs/dbraw/zinc/83/06/22/949830622.db2.gz BKFPWUYRQNSHPG-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574966065 949831813 /nfs/dbraw/zinc/83/18/13/949831813.db2.gz SXQQVOQDYXHEAY-WQAKAFBOSA-N -1 3 375.408 0.064 20 0 GCADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575282438 949832850 /nfs/dbraw/zinc/83/28/50/949832850.db2.gz BMWXYPFZMVBFQF-WDEREUQCSA-N -1 3 390.423 0.726 20 0 GCADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575282438 949832873 /nfs/dbraw/zinc/83/28/73/949832873.db2.gz BMWXYPFZMVBFQF-WDEREUQCSA-N -1 3 390.423 0.726 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1ccnc1 ZINC001574483745 949837188 /nfs/dbraw/zinc/83/71/88/949837188.db2.gz KZUOJZHRKWRJBF-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1ccnc1 ZINC001574483745 949837209 /nfs/dbraw/zinc/83/72/09/949837209.db2.gz KZUOJZHRKWRJBF-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574483689 949837938 /nfs/dbraw/zinc/83/79/38/949837938.db2.gz IONWTIPYEXGCOC-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574483689 949837962 /nfs/dbraw/zinc/83/79/62/949837962.db2.gz IONWTIPYEXGCOC-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575282579 949838207 /nfs/dbraw/zinc/83/82/07/949838207.db2.gz LDOMUEVQGGCYGA-JTQLQIEISA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575282579 949838224 /nfs/dbraw/zinc/83/82/24/949838224.db2.gz LDOMUEVQGGCYGA-JTQLQIEISA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576173356 949838589 /nfs/dbraw/zinc/83/85/89/949838589.db2.gz XVPUXEDBRWXNRS-JSGCOSHPSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576173356 949838609 /nfs/dbraw/zinc/83/86/09/949838609.db2.gz XVPUXEDBRWXNRS-JSGCOSHPSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574966264 949839445 /nfs/dbraw/zinc/83/94/45/949839445.db2.gz VUAHAWPRVHGETF-FVMDXXJSSA-N -1 3 376.396 0.010 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574966264 949839468 /nfs/dbraw/zinc/83/94/68/949839468.db2.gz VUAHAWPRVHGETF-FVMDXXJSSA-N -1 3 376.396 0.010 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCNC1=O ZINC001575563622 949843680 /nfs/dbraw/zinc/84/36/80/949843680.db2.gz LHQWBLJEYPDLPQ-SCLBCKFNSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCNC1=O ZINC001575563622 949843698 /nfs/dbraw/zinc/84/36/98/949843698.db2.gz LHQWBLJEYPDLPQ-SCLBCKFNSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CC(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1)NC(N)=O ZINC001574483889 949843690 /nfs/dbraw/zinc/84/36/90/949843690.db2.gz OJOFHALQBRMKFL-LLVKDONJSA-N -1 3 390.423 0.097 20 0 GCADHM C[C@H](CC(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1)NC(N)=O ZINC001574483889 949843714 /nfs/dbraw/zinc/84/37/14/949843714.db2.gz OJOFHALQBRMKFL-LLVKDONJSA-N -1 3 390.423 0.097 20 0 GCADHM C[C@H](CC(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574483847 949843761 /nfs/dbraw/zinc/84/37/61/949843761.db2.gz MGIUGBOXHJMZRB-LLVKDONJSA-N -1 3 390.423 0.097 20 0 GCADHM C[C@H](CC(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574483847 949843784 /nfs/dbraw/zinc/84/37/84/949843784.db2.gz MGIUGBOXHJMZRB-LLVKDONJSA-N -1 3 390.423 0.097 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575282703 949845144 /nfs/dbraw/zinc/84/51/44/949845144.db2.gz LUUCVUHBRFROSH-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575282703 949845158 /nfs/dbraw/zinc/84/51/58/949845158.db2.gz LUUCVUHBRFROSH-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](NC(=O)CN1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001575282924 949848576 /nfs/dbraw/zinc/84/85/76/949848576.db2.gz CQLCNHXEGJBJJR-LBPRGKRZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](NC(=O)CN1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001575282924 949848598 /nfs/dbraw/zinc/84/85/98/949848598.db2.gz CQLCNHXEGJBJJR-LBPRGKRZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575283003 949855246 /nfs/dbraw/zinc/85/52/46/949855246.db2.gz DRGRSZWZRFHZKL-VOJFVSQTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575283003 949855267 /nfs/dbraw/zinc/85/52/67/949855267.db2.gz DRGRSZWZRFHZKL-VOJFVSQTSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)(C)[C@H](O)C[C@H](CO)NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573824975 949855603 /nfs/dbraw/zinc/85/56/03/949855603.db2.gz JRDRQOYATMPOLY-DGCLKSJQSA-N -1 3 387.437 0.442 20 0 GCADHM CC(C)(C)[C@H](O)C[C@H](CO)NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573824975 949855624 /nfs/dbraw/zinc/85/56/24/949855624.db2.gz JRDRQOYATMPOLY-DGCLKSJQSA-N -1 3 387.437 0.442 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cccnn1)C1CC1 ZINC001574966636 949855782 /nfs/dbraw/zinc/85/57/82/949855782.db2.gz ASDYGPBZWNJNLE-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cccnn1)C1CC1 ZINC001574966636 949855801 /nfs/dbraw/zinc/85/58/01/949855801.db2.gz ASDYGPBZWNJNLE-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1conc1C1CC1 ZINC001574966783 949856530 /nfs/dbraw/zinc/85/65/30/949856530.db2.gz CEMPHJYZUKKAQS-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1conc1C1CC1 ZINC001574966783 949856545 /nfs/dbraw/zinc/85/65/45/949856545.db2.gz CEMPHJYZUKKAQS-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001574966672 949857394 /nfs/dbraw/zinc/85/73/94/949857394.db2.gz BCPDGYMDKGQXTA-DGCLKSJQSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001574966672 949857419 /nfs/dbraw/zinc/85/74/19/949857419.db2.gz BCPDGYMDKGQXTA-DGCLKSJQSA-N -1 3 387.444 0.494 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)C1 ZINC001573824933 949858384 /nfs/dbraw/zinc/85/83/84/949858384.db2.gz HYZXPCFJVSVAOL-CVSAEHQPSA-N -1 3 385.472 1.000 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)C1 ZINC001573824933 949858410 /nfs/dbraw/zinc/85/84/10/949858410.db2.gz HYZXPCFJVSVAOL-CVSAEHQPSA-N -1 3 385.472 1.000 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1nn(C)cc1Cl ZINC001574966990 949858798 /nfs/dbraw/zinc/85/87/98/949858798.db2.gz DGJTVBAVZUKGFV-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1nn(C)cc1Cl ZINC001574966990 949858818 /nfs/dbraw/zinc/85/88/18/949858818.db2.gz DGJTVBAVZUKGFV-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C1=COCCC1)C1CC1 ZINC001574967007 949859336 /nfs/dbraw/zinc/85/93/36/949859336.db2.gz DKTPSJLBFJYXJF-GOSISDBHSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C1=COCCC1)C1CC1 ZINC001574967007 949859362 /nfs/dbraw/zinc/85/93/62/949859362.db2.gz DKTPSJLBFJYXJF-GOSISDBHSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@H](NC(=O)COC1CCOCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575283146 949860229 /nfs/dbraw/zinc/86/02/29/949860229.db2.gz NUZZSJGNRVQABN-QWRGUYRKSA-N -1 3 391.432 0.013 20 0 GCADHM C[C@H](NC(=O)COC1CCOCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575283146 949860256 /nfs/dbraw/zinc/86/02/56/949860256.db2.gz NUZZSJGNRVQABN-QWRGUYRKSA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@]1(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)CCNC1=O ZINC001575564604 949866838 /nfs/dbraw/zinc/86/68/38/949866838.db2.gz QQGGRBOIAJBQKD-NBZRYXJFSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@]1(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)CCNC1=O ZINC001575564604 949866864 /nfs/dbraw/zinc/86/68/64/949866864.db2.gz QQGGRBOIAJBQKD-NBZRYXJFSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1cnc[nH]1 ZINC001575885477 949868077 /nfs/dbraw/zinc/86/80/77/949868077.db2.gz WWAHFCVQIFQEKH-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H](NC(=O)CN1CCCNC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575283401 949870418 /nfs/dbraw/zinc/87/04/18/949870418.db2.gz FZYOGJMBAJDZFM-UWVGGRQHSA-N -1 3 391.411 0.121 20 0 GCADHM C[C@H](NC(=O)CN1CCCNC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575283401 949870446 /nfs/dbraw/zinc/87/04/46/949870446.db2.gz FZYOGJMBAJDZFM-UWVGGRQHSA-N -1 3 391.411 0.121 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCc1ccon1 ZINC001575885637 949870931 /nfs/dbraw/zinc/87/09/31/949870931.db2.gz KPRZGHOPUVURTI-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCc1ccon1 ZINC001575885637 949870946 /nfs/dbraw/zinc/87/09/46/949870946.db2.gz KPRZGHOPUVURTI-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574967352 949871034 /nfs/dbraw/zinc/87/10/34/949871034.db2.gz HJRUFFDRFKELTG-JTQLQIEISA-N -1 3 389.395 0.157 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574967352 949871055 /nfs/dbraw/zinc/87/10/55/949871055.db2.gz HJRUFFDRFKELTG-JTQLQIEISA-N -1 3 389.395 0.157 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001574967332 949871325 /nfs/dbraw/zinc/87/13/25/949871325.db2.gz HHWXBMIPAVRLSV-VUAROTFHSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001574967332 949871347 /nfs/dbraw/zinc/87/13/47/949871347.db2.gz HHWXBMIPAVRLSV-VUAROTFHSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cn1cccn1)C1CC1 ZINC001574967620 949875598 /nfs/dbraw/zinc/87/55/98/949875598.db2.gz IGEPSPWELNEFGM-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cn1cccn1)C1CC1 ZINC001574967620 949875618 /nfs/dbraw/zinc/87/56/18/949875618.db2.gz IGEPSPWELNEFGM-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@H](CC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1)NC(N)=O ZINC001574484329 949875733 /nfs/dbraw/zinc/87/57/33/949875733.db2.gz ZKCVCMMPEDOLEH-LLVKDONJSA-N -1 3 390.423 0.097 20 0 GCADHM C[C@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1)NC(N)=O ZINC001574484329 949875758 /nfs/dbraw/zinc/87/57/58/949875758.db2.gz ZKCVCMMPEDOLEH-LLVKDONJSA-N -1 3 390.423 0.097 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cncs1)C1CC1 ZINC001574967650 949877802 /nfs/dbraw/zinc/87/78/02/949877802.db2.gz IZXGJFKVJDKAOO-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cncs1)C1CC1 ZINC001574967650 949877828 /nfs/dbraw/zinc/87/78/28/949877828.db2.gz IZXGJFKVJDKAOO-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ncccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574724838 949877665 /nfs/dbraw/zinc/87/76/65/949877665.db2.gz KKKPIOHJGWUTLN-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ncccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574724838 949877690 /nfs/dbraw/zinc/87/76/90/949877690.db2.gz KKKPIOHJGWUTLN-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cn1cccn1)C1CC1 ZINC001574967621 949878099 /nfs/dbraw/zinc/87/80/99/949878099.db2.gz IGEPSPWELNEFGM-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cn1cccn1)C1CC1 ZINC001574967621 949878124 /nfs/dbraw/zinc/87/81/24/949878124.db2.gz IGEPSPWELNEFGM-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ncccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574724837 949878033 /nfs/dbraw/zinc/87/80/33/949878033.db2.gz KKKPIOHJGWUTLN-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ncccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574724837 949878057 /nfs/dbraw/zinc/87/80/57/949878057.db2.gz KKKPIOHJGWUTLN-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575283717 949880809 /nfs/dbraw/zinc/88/08/09/949880809.db2.gz HACBFYAIBHMYJV-KGLIPLIRSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)C(=O)N1CCC(C)CC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576178232 949881693 /nfs/dbraw/zinc/88/16/93/949881693.db2.gz GUPKBWXWTIOHDQ-ZDUSSCGKSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](CN(C)C(=O)C(=O)N1CCC(C)CC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576178232 949881719 /nfs/dbraw/zinc/88/17/19/949881719.db2.gz GUPKBWXWTIOHDQ-ZDUSSCGKSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](CNC(=O)c1c(F)cncc1F)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574967952 949881923 /nfs/dbraw/zinc/88/19/23/949881923.db2.gz KGYUUPCHQHLJFF-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1c(F)cncc1F)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574967952 949881949 /nfs/dbraw/zinc/88/19/49/949881949.db2.gz KGYUUPCHQHLJFF-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574143311 949888370 /nfs/dbraw/zinc/88/83/70/949888370.db2.gz GIGUKDKNXKPSIA-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574143311 949888394 /nfs/dbraw/zinc/88/83/94/949888394.db2.gz GIGUKDKNXKPSIA-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575886599 949888583 /nfs/dbraw/zinc/88/85/83/949888583.db2.gz MZXQOPPVBIBAPI-PWSUYJOCSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575886599 949888605 /nfs/dbraw/zinc/88/86/05/949888605.db2.gz MZXQOPPVBIBAPI-PWSUYJOCSA-N -1 3 387.400 0.192 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574143346 949889037 /nfs/dbraw/zinc/88/90/37/949889037.db2.gz GRGUKMHLVNAWCK-XIKOKIGWSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574143346 949889055 /nfs/dbraw/zinc/88/90/55/949889055.db2.gz GRGUKMHLVNAWCK-XIKOKIGWSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574143314 949889890 /nfs/dbraw/zinc/88/98/90/949889890.db2.gz GIGUKDKNXKPSIA-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574143314 949889911 /nfs/dbraw/zinc/88/99/11/949889911.db2.gz GIGUKDKNXKPSIA-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574143316 949890516 /nfs/dbraw/zinc/89/05/16/949890516.db2.gz GIGUKDKNXKPSIA-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574143316 949890533 /nfs/dbraw/zinc/89/05/33/949890533.db2.gz GIGUKDKNXKPSIA-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576178559 949891869 /nfs/dbraw/zinc/89/18/69/949891869.db2.gz CEEAVPPTPLRPDA-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576178559 949891883 /nfs/dbraw/zinc/89/18/83/949891883.db2.gz CEEAVPPTPLRPDA-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576178564 949893287 /nfs/dbraw/zinc/89/32/87/949893287.db2.gz CEEAVPPTPLRPDA-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576178564 949893317 /nfs/dbraw/zinc/89/33/17/949893317.db2.gz CEEAVPPTPLRPDA-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001574968355 949893224 /nfs/dbraw/zinc/89/32/24/949893224.db2.gz OFWLVPVYTSUPQD-MNOVXSKESA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001574968355 949893247 /nfs/dbraw/zinc/89/32/47/949893247.db2.gz OFWLVPVYTSUPQD-MNOVXSKESA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cncnc1 ZINC001574968357 949893895 /nfs/dbraw/zinc/89/38/95/949893895.db2.gz OFWLVPVYTSUPQD-WDEREUQCSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cncnc1 ZINC001574968357 949893920 /nfs/dbraw/zinc/89/39/20/949893920.db2.gz OFWLVPVYTSUPQD-WDEREUQCSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H](C)c1cncnc1 ZINC001574968354 949894351 /nfs/dbraw/zinc/89/43/51/949894351.db2.gz OFWLVPVYTSUPQD-GHMZBOCLSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H](C)c1cncnc1 ZINC001574968354 949894379 /nfs/dbraw/zinc/89/43/79/949894379.db2.gz OFWLVPVYTSUPQD-GHMZBOCLSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575886989 949894710 /nfs/dbraw/zinc/89/47/10/949894710.db2.gz YFJMMRHPEJKDDE-FZMZJTMJSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575886989 949894737 /nfs/dbraw/zinc/89/47/37/949894737.db2.gz YFJMMRHPEJKDDE-FZMZJTMJSA-N -1 3 382.428 0.875 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143432 949896042 /nfs/dbraw/zinc/89/60/42/949896042.db2.gz HOPDOVXNDZIMDQ-OCCSQVGLSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143432 949896056 /nfs/dbraw/zinc/89/60/56/949896056.db2.gz HOPDOVXNDZIMDQ-OCCSQVGLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575887197 949898916 /nfs/dbraw/zinc/89/89/16/949898916.db2.gz YLUKJWXFKVINHE-KOLCDFICSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575887197 949898932 /nfs/dbraw/zinc/89/89/32/949898932.db2.gz YLUKJWXFKVINHE-KOLCDFICSA-N -1 3 386.441 0.613 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOCC1 ZINC001575568643 949898871 /nfs/dbraw/zinc/89/88/71/949898871.db2.gz BGZJYODDEKYYLZ-LBPRGKRZSA-N -1 3 375.408 0.912 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOCC1 ZINC001575568643 949898892 /nfs/dbraw/zinc/89/88/92/949898892.db2.gz BGZJYODDEKYYLZ-LBPRGKRZSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccn(C)n1 ZINC001575887259 949898981 /nfs/dbraw/zinc/89/89/81/949898981.db2.gz YOKJBERMQAGKDC-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccn(C)n1 ZINC001575887259 949899006 /nfs/dbraw/zinc/89/90/06/949899006.db2.gz YOKJBERMQAGKDC-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574484768 949899752 /nfs/dbraw/zinc/89/97/52/949899752.db2.gz NQNSWKDEUUOYGP-WDEREUQCSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574484768 949899778 /nfs/dbraw/zinc/89/97/78/949899778.db2.gz NQNSWKDEUUOYGP-WDEREUQCSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575887225 949901104 /nfs/dbraw/zinc/90/11/04/949901104.db2.gz OAFRKICCTCUXLI-SMDDNHRTSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575887225 949901124 /nfs/dbraw/zinc/90/11/24/949901124.db2.gz OAFRKICCTCUXLI-SMDDNHRTSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574484744 949901265 /nfs/dbraw/zinc/90/12/65/949901265.db2.gz NGXTYGBWIYKKTO-KOLCDFICSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574484744 949901285 /nfs/dbraw/zinc/90/12/85/949901285.db2.gz NGXTYGBWIYKKTO-KOLCDFICSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cnccn1)C1CC1 ZINC001574968574 949904777 /nfs/dbraw/zinc/90/47/77/949904777.db2.gz QDKCQUUUXSUUNI-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cnccn1)C1CC1 ZINC001574968574 949904803 /nfs/dbraw/zinc/90/48/03/949904803.db2.gz QDKCQUUUXSUUNI-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575569091 949906772 /nfs/dbraw/zinc/90/67/72/949906772.db2.gz FYEDXGRMQDWBQW-SCLBCKFNSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccnnc1)C1CC1 ZINC001574968661 949906533 /nfs/dbraw/zinc/90/65/33/949906533.db2.gz RIUGVVCCEQEFEA-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccnnc1)C1CC1 ZINC001574968661 949906548 /nfs/dbraw/zinc/90/65/48/949906548.db2.gz RIUGVVCCEQEFEA-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575569091 949906784 /nfs/dbraw/zinc/90/67/84/949906784.db2.gz FYEDXGRMQDWBQW-SCLBCKFNSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001574968761 949907971 /nfs/dbraw/zinc/90/79/71/949907971.db2.gz SCWNAWJVCHKZJF-IGNZVWTISA-N -1 3 385.428 0.246 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001574968761 949907993 /nfs/dbraw/zinc/90/79/93/949907993.db2.gz SCWNAWJVCHKZJF-IGNZVWTISA-N -1 3 385.428 0.246 20 0 GCADHM C[C@H](CN(C)C(=O)COCC1CCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574725700 949909688 /nfs/dbraw/zinc/90/96/88/949909688.db2.gz BCZKBNRFVUOWHW-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)COCC1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574725700 949909704 /nfs/dbraw/zinc/90/97/04/949909704.db2.gz BCZKBNRFVUOWHW-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H](C)c1ccnn1C ZINC001574968749 949910134 /nfs/dbraw/zinc/91/01/34/949910134.db2.gz SBPFZFXXNVGUON-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H](C)c1ccnn1C ZINC001574968749 949910153 /nfs/dbraw/zinc/91/01/53/949910153.db2.gz SBPFZFXXNVGUON-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1cnoc1 ZINC001575887761 949909985 /nfs/dbraw/zinc/90/99/85/949909985.db2.gz ZZWPDSYALRDBBV-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1cnoc1 ZINC001575887761 949910002 /nfs/dbraw/zinc/91/00/02/949910002.db2.gz ZZWPDSYALRDBBV-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccsn1)C1CC1 ZINC001574968871 949912034 /nfs/dbraw/zinc/91/20/34/949912034.db2.gz URZLDOIBTGOTFL-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccsn1)C1CC1 ZINC001574968871 949912049 /nfs/dbraw/zinc/91/20/49/949912049.db2.gz URZLDOIBTGOTFL-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001574968847 949912219 /nfs/dbraw/zinc/91/22/19/949912219.db2.gz UJLURQCAVRGABK-DLBZAZTESA-N -1 3 391.407 0.338 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001574968847 949912235 /nfs/dbraw/zinc/91/22/35/949912235.db2.gz UJLURQCAVRGABK-DLBZAZTESA-N -1 3 391.407 0.338 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001573827161 949914668 /nfs/dbraw/zinc/91/46/68/949914668.db2.gz KLCSDLKITYPEJQ-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001573827161 949914687 /nfs/dbraw/zinc/91/46/87/949914687.db2.gz KLCSDLKITYPEJQ-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001574968848 949914856 /nfs/dbraw/zinc/91/48/56/949914856.db2.gz UJLURQCAVRGABK-IAGOWNOFSA-N -1 3 391.407 0.338 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001574968848 949914868 /nfs/dbraw/zinc/91/48/68/949914868.db2.gz UJLURQCAVRGABK-IAGOWNOFSA-N -1 3 391.407 0.338 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574968824 949915365 /nfs/dbraw/zinc/91/53/65/949915365.db2.gz SYMPIWQFYQVGFN-MHVRPGDESA-N -1 3 385.428 0.100 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574968824 949915380 /nfs/dbraw/zinc/91/53/80/949915380.db2.gz SYMPIWQFYQVGFN-MHVRPGDESA-N -1 3 385.428 0.100 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484980 949916076 /nfs/dbraw/zinc/91/60/76/949916076.db2.gz TYLQGPJVMIXDSW-NWDGAFQWSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484980 949916099 /nfs/dbraw/zinc/91/60/99/949916099.db2.gz TYLQGPJVMIXDSW-NWDGAFQWSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCOCC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574725997 949919349 /nfs/dbraw/zinc/91/93/49/949919349.db2.gz FHXVTAWXOYTAKF-NSHDSACASA-N -1 3 391.407 0.123 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCOCC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574725997 949919362 /nfs/dbraw/zinc/91/93/62/949919362.db2.gz FHXVTAWXOYTAKF-NSHDSACASA-N -1 3 391.407 0.123 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575889001 949920100 /nfs/dbraw/zinc/92/01/00/949920100.db2.gz RAKLWCVVRNTUQI-SKDRFNHKSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575889001 949920122 /nfs/dbraw/zinc/92/01/22/949920122.db2.gz RAKLWCVVRNTUQI-SKDRFNHKSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575284878 949921475 /nfs/dbraw/zinc/92/14/75/949921475.db2.gz KORCYBANLLQCEQ-VXGBXAGGSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575284878 949921494 /nfs/dbraw/zinc/92/14/94/949921494.db2.gz KORCYBANLLQCEQ-VXGBXAGGSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001574968988 949922736 /nfs/dbraw/zinc/92/27/36/949922736.db2.gz XJSRVEAJLWTQNH-RDTXWAMCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001574968988 949922758 /nfs/dbraw/zinc/92/27/58/949922758.db2.gz XJSRVEAJLWTQNH-RDTXWAMCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)NC(N)=O ZINC001574485286 949924858 /nfs/dbraw/zinc/92/48/58/949924858.db2.gz WQDXXJAYRZXFJA-LLVKDONJSA-N -1 3 392.489 0.409 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cc[nH]n1 ZINC001575889087 949925452 /nfs/dbraw/zinc/92/54/52/949925452.db2.gz RSRICGUDCSOOFE-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575889080 949928724 /nfs/dbraw/zinc/92/87/24/949928724.db2.gz RQBFVXYUKSGVKP-JGVFFNPUSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575889080 949928743 /nfs/dbraw/zinc/92/87/43/949928743.db2.gz RQBFVXYUKSGVKP-JGVFFNPUSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574969077 949929008 /nfs/dbraw/zinc/92/90/08/949929008.db2.gz ZDEOTDZLRMSUEU-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574969077 949929024 /nfs/dbraw/zinc/92/90/24/949929024.db2.gz ZDEOTDZLRMSUEU-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C)NC(N)=O ZINC001574487619 949930143 /nfs/dbraw/zinc/93/01/43/949930143.db2.gz AHFZARXBYNHZAI-JQWIXIFHSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C)NC(N)=O ZINC001574487619 949930160 /nfs/dbraw/zinc/93/01/60/949930160.db2.gz AHFZARXBYNHZAI-JQWIXIFHSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574969095 949930988 /nfs/dbraw/zinc/93/09/88/949930988.db2.gz ZSPXDEZYNZOVHE-SECBINFHSA-N -1 3 385.407 0.853 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574969095 949931004 /nfs/dbraw/zinc/93/10/04/949931004.db2.gz ZSPXDEZYNZOVHE-SECBINFHSA-N -1 3 385.407 0.853 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C)NC(N)=O ZINC001574487616 949932061 /nfs/dbraw/zinc/93/20/61/949932061.db2.gz AEISONZRJVPVFQ-ZWNOBZJWSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C)NC(N)=O ZINC001574487616 949932076 /nfs/dbraw/zinc/93/20/76/949932076.db2.gz AEISONZRJVPVFQ-ZWNOBZJWSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCNC(=O)C1 ZINC001575570123 949934694 /nfs/dbraw/zinc/93/46/94/949934694.db2.gz PRUAMSIUSSVETE-DIFFPNOSSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCNC(=O)C1 ZINC001575570123 949934716 /nfs/dbraw/zinc/93/47/16/949934716.db2.gz PRUAMSIUSSVETE-DIFFPNOSSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@H](NC(=O)CN1CCCC1)[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575285221 949935270 /nfs/dbraw/zinc/93/52/70/949935270.db2.gz LWIKGVXSVJFMMY-KBPBESRZSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575285193 949936691 /nfs/dbraw/zinc/93/66/91/949936691.db2.gz LSMSIJYSDHMGMZ-RISCZKNCSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575285193 949936709 /nfs/dbraw/zinc/93/67/09/949936709.db2.gz LSMSIJYSDHMGMZ-RISCZKNCSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)[C@@H](C)c1nnnn1C1CC1 ZINC001574972557 949937258 /nfs/dbraw/zinc/93/72/58/949937258.db2.gz DAVUVHVGUPZUMT-UWVGGRQHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)[C@@H](C)c1nnnn1C1CC1 ZINC001574972557 949937272 /nfs/dbraw/zinc/93/72/72/949937272.db2.gz DAVUVHVGUPZUMT-UWVGGRQHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576180119 949940450 /nfs/dbraw/zinc/94/04/50/949940450.db2.gz CFEOVUJCVLMALJ-STQMWFEESA-N -1 3 386.460 0.814 20 0 GCADHM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576180119 949940466 /nfs/dbraw/zinc/94/04/66/949940466.db2.gz CFEOVUJCVLMALJ-STQMWFEESA-N -1 3 386.460 0.814 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1)NC(N)=O ZINC001574488031 949941460 /nfs/dbraw/zinc/94/14/60/949941460.db2.gz CELVDOKEQPWWLG-QPUJVOFHSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1)NC(N)=O ZINC001574488031 949941479 /nfs/dbraw/zinc/94/14/79/949941479.db2.gz CELVDOKEQPWWLG-QPUJVOFHSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574726890 949946836 /nfs/dbraw/zinc/94/68/36/949946836.db2.gz MCOYNOZKZXJHCK-JTQLQIEISA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574726890 949946857 /nfs/dbraw/zinc/94/68/57/949946857.db2.gz MCOYNOZKZXJHCK-JTQLQIEISA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC1CCOCC1 ZINC001574972960 949947512 /nfs/dbraw/zinc/94/75/12/949947512.db2.gz FGFYGRGMFSDLAP-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC1CCOCC1 ZINC001574972960 949947525 /nfs/dbraw/zinc/94/75/25/949947525.db2.gz FGFYGRGMFSDLAP-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CC1CCOCC1 ZINC001575890167 949948217 /nfs/dbraw/zinc/94/82/17/949948217.db2.gz VUUFZFMTAUVUOP-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CC1CCOCC1 ZINC001575890167 949948237 /nfs/dbraw/zinc/94/82/37/949948237.db2.gz VUUFZFMTAUVUOP-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285482 949948812 /nfs/dbraw/zinc/94/88/12/949948812.db2.gz NSEFOIDRUUFBAR-STQMWFEESA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285482 949948825 /nfs/dbraw/zinc/94/88/25/949948825.db2.gz NSEFOIDRUUFBAR-STQMWFEESA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574488423 949949293 /nfs/dbraw/zinc/94/92/93/949949293.db2.gz FSCADLFQHRSBFM-QEJZJMRPSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574488423 949949317 /nfs/dbraw/zinc/94/93/17/949949317.db2.gz FSCADLFQHRSBFM-QEJZJMRPSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1cncnc1 ZINC001574973078 949949783 /nfs/dbraw/zinc/94/97/83/949949783.db2.gz GMMXXIUTQWMXBD-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cncnc1 ZINC001574973078 949949803 /nfs/dbraw/zinc/94/98/03/949949803.db2.gz GMMXXIUTQWMXBD-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCO1 ZINC001574147832 949954849 /nfs/dbraw/zinc/95/48/49/949954849.db2.gz DHYUDHAKAPKFDO-OCCSQVGLSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCO1 ZINC001574147832 949954877 /nfs/dbraw/zinc/95/48/77/949954877.db2.gz DHYUDHAKAPKFDO-OCCSQVGLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574727082 949956867 /nfs/dbraw/zinc/95/68/67/949956867.db2.gz OXEDRRNGVLRELP-LLVKDONJSA-N -1 3 390.423 0.672 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574727082 949956894 /nfs/dbraw/zinc/95/68/94/949956894.db2.gz OXEDRRNGVLRELP-LLVKDONJSA-N -1 3 390.423 0.672 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575285664 949957626 /nfs/dbraw/zinc/95/76/26/949957626.db2.gz PRNITGHQAXVXCW-NWDGAFQWSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575285664 949957643 /nfs/dbraw/zinc/95/76/43/949957643.db2.gz PRNITGHQAXVXCW-NWDGAFQWSA-N -1 3 387.448 0.372 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC(C)C ZINC001574147803 949957700 /nfs/dbraw/zinc/95/77/00/949957700.db2.gz CRGBQSHVVQVUJT-LBPRGKRZSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC(C)C ZINC001574147803 949957719 /nfs/dbraw/zinc/95/77/19/949957719.db2.gz CRGBQSHVVQVUJT-LBPRGKRZSA-N -1 3 377.449 0.881 20 0 GCADHM C[C@H](NC(=O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccco1 ZINC001575285649 949958101 /nfs/dbraw/zinc/95/81/01/949958101.db2.gz PPVNOELWEUDRLO-JTQLQIEISA-N -1 3 384.400 0.079 20 0 GCADHM C[C@H](NC(=O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccco1 ZINC001575285649 949958114 /nfs/dbraw/zinc/95/81/14/949958114.db2.gz PPVNOELWEUDRLO-JTQLQIEISA-N -1 3 384.400 0.079 20 0 GCADHM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575285666 949958535 /nfs/dbraw/zinc/95/85/35/949958535.db2.gz PRNITGHQAXVXCW-RYUDHWBXSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575285666 949958554 /nfs/dbraw/zinc/95/85/54/949958554.db2.gz PRNITGHQAXVXCW-RYUDHWBXSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](NC(=O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccco1 ZINC001575285652 949958594 /nfs/dbraw/zinc/95/85/94/949958594.db2.gz PPVNOELWEUDRLO-SNVBAGLBSA-N -1 3 384.400 0.079 20 0 GCADHM C[C@@H](NC(=O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccco1 ZINC001575285652 949958618 /nfs/dbraw/zinc/95/86/18/949958618.db2.gz PPVNOELWEUDRLO-SNVBAGLBSA-N -1 3 384.400 0.079 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575890577 949959258 /nfs/dbraw/zinc/95/92/58/949959258.db2.gz YJMKDZIGKJEOIW-ZYHUDNBSSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575890577 949959276 /nfs/dbraw/zinc/95/92/76/949959276.db2.gz YJMKDZIGKJEOIW-ZYHUDNBSSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)COC1CCCC1 ZINC001575890573 949960455 /nfs/dbraw/zinc/96/04/55/949960455.db2.gz YDJKNUITDKFPFV-SMDDNHRTSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)COC1CCCC1 ZINC001575890573 949960477 /nfs/dbraw/zinc/96/04/77/949960477.db2.gz YDJKNUITDKFPFV-SMDDNHRTSA-N -1 3 387.444 0.873 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573829649 949961639 /nfs/dbraw/zinc/96/16/39/949961639.db2.gz AGYVHYMWUXTRRK-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573829649 949961655 /nfs/dbraw/zinc/96/16/55/949961655.db2.gz AGYVHYMWUXTRRK-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1nn(C)cc1Cl ZINC001574973995 949964890 /nfs/dbraw/zinc/96/48/90/949964890.db2.gz KBKREVJSDISMPY-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1nn(C)cc1Cl ZINC001574973995 949964902 /nfs/dbraw/zinc/96/49/02/949964902.db2.gz KBKREVJSDISMPY-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575285975 949965751 /nfs/dbraw/zinc/96/57/51/949965751.db2.gz RYMHCJYDHPZHBT-AAEUAGOBSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575285975 949965777 /nfs/dbraw/zinc/96/57/77/949965777.db2.gz RYMHCJYDHPZHBT-AAEUAGOBSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575890742 949965780 /nfs/dbraw/zinc/96/57/80/949965780.db2.gz ZANSALYMZSBSMJ-ZYHUDNBSSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575890742 949965798 /nfs/dbraw/zinc/96/57/98/949965798.db2.gz ZANSALYMZSBSMJ-ZYHUDNBSSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1ccn(C)n1 ZINC001574974015 949966531 /nfs/dbraw/zinc/96/65/31/949966531.db2.gz KGPFWQROTNBGDP-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1ccn(C)n1 ZINC001574974015 949966549 /nfs/dbraw/zinc/96/65/49/949966549.db2.gz KGPFWQROTNBGDP-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001575572013 949966772 /nfs/dbraw/zinc/96/67/72/949966772.db2.gz CLDVZLLXMDXKKH-GFCCVEGCSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001575572013 949966786 /nfs/dbraw/zinc/96/67/86/949966786.db2.gz CLDVZLLXMDXKKH-GFCCVEGCSA-N -1 3 375.433 0.372 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1ccn(C)n1 ZINC001574974014 949966977 /nfs/dbraw/zinc/96/69/77/949966977.db2.gz KGPFWQROTNBGDP-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1ccn(C)n1 ZINC001574974014 949966997 /nfs/dbraw/zinc/96/69/97/949966997.db2.gz KGPFWQROTNBGDP-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnccn1 ZINC001574148008 949967858 /nfs/dbraw/zinc/96/78/58/949967858.db2.gz ISZYNYCEESVSAC-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnccn1 ZINC001574148008 949967867 /nfs/dbraw/zinc/96/78/67/949967867.db2.gz ISZYNYCEESVSAC-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575572294 949973248 /nfs/dbraw/zinc/97/32/48/949973248.db2.gz FGKLLGNCEFSJOE-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575572294 949973262 /nfs/dbraw/zinc/97/32/62/949973262.db2.gz FGKLLGNCEFSJOE-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)CC(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573830298 949975049 /nfs/dbraw/zinc/97/50/49/949975049.db2.gz KGJJDKVLAZVWAN-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573830298 949975070 /nfs/dbraw/zinc/97/50/70/949975070.db2.gz KGJJDKVLAZVWAN-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574727608 949975667 /nfs/dbraw/zinc/97/56/67/949975667.db2.gz VXRHFJKOCBZNTC-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574727608 949975702 /nfs/dbraw/zinc/97/57/02/949975702.db2.gz VXRHFJKOCBZNTC-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575890979 949977537 /nfs/dbraw/zinc/97/75/37/949977537.db2.gz CJVOLJRGESIVKG-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575890979 949977556 /nfs/dbraw/zinc/97/75/56/949977556.db2.gz CJVOLJRGESIVKG-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@]1(C(=O)NC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCOC1 ZINC001575572570 949977518 /nfs/dbraw/zinc/97/75/18/949977518.db2.gz GOVGLVWGJUQCJQ-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCOC1 ZINC001575572570 949977534 /nfs/dbraw/zinc/97/75/34/949977534.db2.gz GOVGLVWGJUQCJQ-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1ccnc1 ZINC001574148156 949978199 /nfs/dbraw/zinc/97/81/99/949978199.db2.gz LLZALINUZRSPDG-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1ccncn1 ZINC001574974336 949978432 /nfs/dbraw/zinc/97/84/32/949978432.db2.gz OJPIXXGXKMAVFE-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1ccncn1 ZINC001574974336 949978446 /nfs/dbraw/zinc/97/84/46/949978446.db2.gz OJPIXXGXKMAVFE-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCOC1 ZINC001575572571 949979149 /nfs/dbraw/zinc/97/91/49/949979149.db2.gz GOVGLVWGJUQCJQ-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCOC1 ZINC001575572571 949979179 /nfs/dbraw/zinc/97/91/79/949979179.db2.gz GOVGLVWGJUQCJQ-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCC1 ZINC001575572591 949979510 /nfs/dbraw/zinc/97/95/10/949979510.db2.gz GWFPJKQCLXXRRO-NSHDSACASA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCC1 ZINC001575572591 949979523 /nfs/dbraw/zinc/97/95/23/949979523.db2.gz GWFPJKQCLXXRRO-NSHDSACASA-N -1 3 375.433 0.372 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727734 949980027 /nfs/dbraw/zinc/98/00/27/949980027.db2.gz YQGQLYQUXCZVRA-CYBMUJFWSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727734 949980045 /nfs/dbraw/zinc/98/00/45/949980045.db2.gz YQGQLYQUXCZVRA-CYBMUJFWSA-N -1 3 386.460 0.923 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573830665 949980898 /nfs/dbraw/zinc/98/08/98/949980898.db2.gz NHVFESPJSPOQJM-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573830665 949980921 /nfs/dbraw/zinc/98/09/21/949980921.db2.gz NHVFESPJSPOQJM-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cnns1 ZINC001575890988 949980758 /nfs/dbraw/zinc/98/07/58/949980758.db2.gz CLZJURCOCQPWMS-DTWKUNHWSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cnns1 ZINC001575890988 949980775 /nfs/dbraw/zinc/98/07/75/949980775.db2.gz CLZJURCOCQPWMS-DTWKUNHWSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573830666 949981095 /nfs/dbraw/zinc/98/10/95/949981095.db2.gz NHVFESPJSPOQJM-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573830666 949981113 /nfs/dbraw/zinc/98/11/13/949981113.db2.gz NHVFESPJSPOQJM-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1ccc(F)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574728457 949984429 /nfs/dbraw/zinc/98/44/29/949984429.db2.gz AOKSAJDYGCZIGO-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1ccc(F)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574728457 949984446 /nfs/dbraw/zinc/98/44/46/949984446.db2.gz AOKSAJDYGCZIGO-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H](C)NC(=O)CCn1ccnn1 ZINC001575286745 949987569 /nfs/dbraw/zinc/98/75/69/949987569.db2.gz YDIXPLRHFIWPJJ-VHSXEESVSA-N -1 3 390.839 0.902 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H](C)NC(=O)CCn1ccnn1 ZINC001575286745 949987585 /nfs/dbraw/zinc/98/75/85/949987585.db2.gz YDIXPLRHFIWPJJ-VHSXEESVSA-N -1 3 390.839 0.902 20 0 GCADHM CC(C)C[C@H](CNC(=O)COC(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574148482 949988000 /nfs/dbraw/zinc/98/80/00/949988000.db2.gz OGSYHJTYBVFIHC-CYBMUJFWSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@H](CNC(=O)COC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148482 949988020 /nfs/dbraw/zinc/98/80/20/949988020.db2.gz OGSYHJTYBVFIHC-CYBMUJFWSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001574148728 949988187 /nfs/dbraw/zinc/98/81/87/949988187.db2.gz PGHUOHSSXWFRQS-OLZOCXBDSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001574148728 949988198 /nfs/dbraw/zinc/98/81/98/949988198.db2.gz PGHUOHSSXWFRQS-OLZOCXBDSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001574148733 949989154 /nfs/dbraw/zinc/98/91/54/949989154.db2.gz PGHUOHSSXWFRQS-STQMWFEESA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001574148733 949989176 /nfs/dbraw/zinc/98/91/76/949989176.db2.gz PGHUOHSSXWFRQS-STQMWFEESA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1=CCOCC1 ZINC001574148463 949990271 /nfs/dbraw/zinc/99/02/71/949990271.db2.gz NSHNOKVEGDFHCW-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1=CCOCC1 ZINC001574148463 949990286 /nfs/dbraw/zinc/99/02/86/949990286.db2.gz NSHNOKVEGDFHCW-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@H](CCNc1cccc(F)c1-c1nnn[n-]1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574490407 949990401 /nfs/dbraw/zinc/99/04/01/949990401.db2.gz RDEAWDQPRULHAG-NXEZZACHSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@H](CCNc1cccc(F)c1-c1nn[n-]n1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574490407 949990424 /nfs/dbraw/zinc/99/04/24/949990424.db2.gz RDEAWDQPRULHAG-NXEZZACHSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1)NC(N)=O ZINC001574490402 949992259 /nfs/dbraw/zinc/99/22/59/949992259.db2.gz RBPXLDXKEGXLHJ-IJLUTSLNSA-N -1 3 387.448 0.215 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1)NC(N)=O ZINC001574490402 949992276 /nfs/dbraw/zinc/99/22/76/949992276.db2.gz RBPXLDXKEGXLHJ-IJLUTSLNSA-N -1 3 387.448 0.215 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576181194 949993217 /nfs/dbraw/zinc/99/32/17/949993217.db2.gz KKWGXGZMJZUGSX-RNCFNFMXSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576181194 949993239 /nfs/dbraw/zinc/99/32/39/949993239.db2.gz KKWGXGZMJZUGSX-RNCFNFMXSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575573328 949994399 /nfs/dbraw/zinc/99/43/99/949994399.db2.gz LVWOUKGVEFHUPX-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCOC1 ZINC001575573328 949994423 /nfs/dbraw/zinc/99/44/23/949994423.db2.gz LVWOUKGVEFHUPX-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576181265 949994931 /nfs/dbraw/zinc/99/49/31/949994931.db2.gz LKTXBMSUBCYOLQ-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576181265 949994945 /nfs/dbraw/zinc/99/49/45/949994945.db2.gz LKTXBMSUBCYOLQ-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148780 949995390 /nfs/dbraw/zinc/99/53/90/949995390.db2.gz PYIBPMOCACYMEM-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148780 949995403 /nfs/dbraw/zinc/99/54/03/949995403.db2.gz PYIBPMOCACYMEM-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1coc(C2CC2)n1 ZINC001574974650 949995833 /nfs/dbraw/zinc/99/58/33/949995833.db2.gz RBUOVQCUTNLPOM-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1coc(C2CC2)n1 ZINC001574974650 949995849 /nfs/dbraw/zinc/99/58/49/949995849.db2.gz RBUOVQCUTNLPOM-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](NC(=O)CCn1ccnc1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575286999 949995759 /nfs/dbraw/zinc/99/57/59/949995759.db2.gz ZCHOAVXXMLULEQ-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM C[C@@H](NC(=O)CCn1ccnc1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575286999 949995778 /nfs/dbraw/zinc/99/57/78/949995778.db2.gz ZCHOAVXXMLULEQ-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001574148858 949996941 /nfs/dbraw/zinc/99/69/41/949996941.db2.gz RKNBJSRJJTVKCX-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001574148858 949996959 /nfs/dbraw/zinc/99/69/59/949996959.db2.gz RKNBJSRJJTVKCX-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)(C)C ZINC001574490434 949998319 /nfs/dbraw/zinc/99/83/19/949998319.db2.gz RNHDOHIIVXZDGI-NWDGAFQWSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)(C)C ZINC001574490434 949998337 /nfs/dbraw/zinc/99/83/37/949998337.db2.gz RNHDOHIIVXZDGI-NWDGAFQWSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575891362 950001198 /nfs/dbraw/zinc/00/11/98/950001198.db2.gz ISKOIHMIOVGJKL-YPMHNXCESA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575891362 950001208 /nfs/dbraw/zinc/00/12/08/950001208.db2.gz ISKOIHMIOVGJKL-YPMHNXCESA-N -1 3 380.412 0.552 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574149130 950004618 /nfs/dbraw/zinc/00/46/18/950004618.db2.gz TZLALONHPKLTTD-NEPJUHHUSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574149130 950004644 /nfs/dbraw/zinc/00/46/44/950004644.db2.gz TZLALONHPKLTTD-NEPJUHHUSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccn(C)n1 ZINC001574149190 950005501 /nfs/dbraw/zinc/00/55/01/950005501.db2.gz UVCPAZADHOBMSA-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccn(C)n1 ZINC001574149190 950005520 /nfs/dbraw/zinc/00/55/20/950005520.db2.gz UVCPAZADHOBMSA-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccncn1 ZINC001574149184 950005673 /nfs/dbraw/zinc/00/56/73/950005673.db2.gz UQXQNKKIDWXIAF-LLVKDONJSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccncn1 ZINC001574149184 950005692 /nfs/dbraw/zinc/00/56/92/950005692.db2.gz UQXQNKKIDWXIAF-LLVKDONJSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H](O)C(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574149215 950008815 /nfs/dbraw/zinc/00/88/15/950008815.db2.gz VFEWRCRMDVSBPQ-GXTWGEPZSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H](O)C(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574149215 950008837 /nfs/dbraw/zinc/00/88/37/950008837.db2.gz VFEWRCRMDVSBPQ-GXTWGEPZSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574149552 950010383 /nfs/dbraw/zinc/01/03/83/950010383.db2.gz WETYSZXEQYBXBO-IUUKEHGRSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574149552 950010403 /nfs/dbraw/zinc/01/04/03/950010403.db2.gz WETYSZXEQYBXBO-IUUKEHGRSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574490725 950011906 /nfs/dbraw/zinc/01/19/06/950011906.db2.gz XTFAUCMSJYMHJL-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001574490725 950011930 /nfs/dbraw/zinc/01/19/30/950011930.db2.gz XTFAUCMSJYMHJL-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574149565 950012042 /nfs/dbraw/zinc/01/20/42/950012042.db2.gz WGUYPMMPUHHPBZ-JCGVRSQUSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574149565 950012065 /nfs/dbraw/zinc/01/20/65/950012065.db2.gz WGUYPMMPUHHPBZ-JCGVRSQUSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)N1CCCCCC1 ZINC001574974986 950012768 /nfs/dbraw/zinc/01/27/68/950012768.db2.gz UIYYPBLLQNLOET-CYBMUJFWSA-N -1 3 388.476 0.648 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150119 950012604 /nfs/dbraw/zinc/01/26/04/950012604.db2.gz XUXLAERFXCQYOZ-AAEUAGOBSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150119 950012626 /nfs/dbraw/zinc/01/26/26/950012626.db2.gz XUXLAERFXCQYOZ-AAEUAGOBSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1=CCOCC1 ZINC001574150128 950014297 /nfs/dbraw/zinc/01/42/97/950014297.db2.gz XYEPZNUKOBJUIL-CYBMUJFWSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1=CCOCC1 ZINC001574150128 950014321 /nfs/dbraw/zinc/01/43/21/950014321.db2.gz XYEPZNUKOBJUIL-CYBMUJFWSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574490726 950015590 /nfs/dbraw/zinc/01/55/90/950015590.db2.gz XTFAUCMSJYMHJL-ZYHUDNBSSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001574490726 950015609 /nfs/dbraw/zinc/01/56/09/950015609.db2.gz XTFAUCMSJYMHJL-ZYHUDNBSSA-N -1 3 377.449 0.474 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC001575574536 950024125 /nfs/dbraw/zinc/02/41/25/950024125.db2.gz VYFUMPLQIMDQCM-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC001575574536 950024146 /nfs/dbraw/zinc/02/41/46/950024146.db2.gz VYFUMPLQIMDQCM-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573834859 950028044 /nfs/dbraw/zinc/02/80/44/950028044.db2.gz LMNBDCHJQXBVQR-DGCLKSJQSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573834859 950028066 /nfs/dbraw/zinc/02/80/66/950028066.db2.gz LMNBDCHJQXBVQR-DGCLKSJQSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001574150425 950030243 /nfs/dbraw/zinc/03/02/43/950030243.db2.gz ZSRJNSHUMVMXNN-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001574150425 950030267 /nfs/dbraw/zinc/03/02/67/950030267.db2.gz ZSRJNSHUMVMXNN-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574150381 950033081 /nfs/dbraw/zinc/03/30/81/950033081.db2.gz ZIEPBSCOVIOIKO-LBPRGKRZSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574150381 950033095 /nfs/dbraw/zinc/03/30/95/950033095.db2.gz ZIEPBSCOVIOIKO-LBPRGKRZSA-N -1 3 385.432 0.352 20 0 GCADHM CC1(C(=O)NCC2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCC2)CCOCC1 ZINC001575575033 950034617 /nfs/dbraw/zinc/03/46/17/950034617.db2.gz CJECFNKWICXHQJ-UHFFFAOYSA-N -1 3 387.444 0.780 20 0 GCADHM CC1(C(=O)NCC2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC2)CCOCC1 ZINC001575575033 950034637 /nfs/dbraw/zinc/03/46/37/950034637.db2.gz CJECFNKWICXHQJ-UHFFFAOYSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001574975611 950035403 /nfs/dbraw/zinc/03/54/03/950035403.db2.gz XPAIUKIMKIBPKP-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001574975611 950035423 /nfs/dbraw/zinc/03/54/23/950035423.db2.gz XPAIUKIMKIBPKP-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CCOCC2)CCOC1 ZINC001575574924 950036746 /nfs/dbraw/zinc/03/67/46/950036746.db2.gz CEQCSQQFQABEJX-KRWDZBQOSA-N -1 3 387.444 0.766 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CCOCC2)CCOC1 ZINC001575574924 950036767 /nfs/dbraw/zinc/03/67/67/950036767.db2.gz CEQCSQQFQABEJX-KRWDZBQOSA-N -1 3 387.444 0.766 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ncccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574150802 950037588 /nfs/dbraw/zinc/03/75/88/950037588.db2.gz DIHFEUKJJOWIIF-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ncccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574150802 950037610 /nfs/dbraw/zinc/03/76/10/950037610.db2.gz DIHFEUKJJOWIIF-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCO1 ZINC001574491576 950037840 /nfs/dbraw/zinc/03/78/40/950037840.db2.gz DRRZBIJNVYSCEC-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCO1 ZINC001574491576 950037861 /nfs/dbraw/zinc/03/78/61/950037861.db2.gz DRRZBIJNVYSCEC-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CC2)CCCS1(=O)=O ZINC001575575201 950044873 /nfs/dbraw/zinc/04/48/73/950044873.db2.gz FIFNKBHWIDRAOS-OAHLLOKOSA-N -1 3 391.457 0.290 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CC2)CCCS1(=O)=O ZINC001575575201 950044894 /nfs/dbraw/zinc/04/48/94/950044894.db2.gz FIFNKBHWIDRAOS-OAHLLOKOSA-N -1 3 391.457 0.290 20 0 GCADHM C[C@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCC2)CCCOC1 ZINC001575575470 950049856 /nfs/dbraw/zinc/04/98/56/950049856.db2.gz JKMBATMWGRDSQU-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC2)CCCOC1 ZINC001575575470 950049875 /nfs/dbraw/zinc/04/98/75/950049875.db2.gz JKMBATMWGRDSQU-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@H]1CCCN1c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1Cc1nnn(C)n1 ZINC001576182395 950051464 /nfs/dbraw/zinc/05/14/64/950051464.db2.gz ZHKDSFRROCXHNR-LLVKDONJSA-N -1 3 392.431 0.686 20 0 GCADHM C[C@@H]1CCCN1c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1Cc1nnn(C)n1 ZINC001576182395 950051488 /nfs/dbraw/zinc/05/14/88/950051488.db2.gz ZHKDSFRROCXHNR-LLVKDONJSA-N -1 3 392.431 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001574976097 950054150 /nfs/dbraw/zinc/05/41/50/950054150.db2.gz LXKXZZLQXXCJGU-JTQLQIEISA-N -1 3 385.432 0.141 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001574976097 950054178 /nfs/dbraw/zinc/05/41/78/950054178.db2.gz LXKXZZLQXXCJGU-JTQLQIEISA-N -1 3 385.432 0.141 20 0 GCADHM C[C@@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCCC2)CCOC1 ZINC001575575526 950054499 /nfs/dbraw/zinc/05/44/99/950054499.db2.gz KEJBAJQXKCSEIS-QGZVFWFLSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCCC2)CCOC1 ZINC001575575526 950054531 /nfs/dbraw/zinc/05/45/31/950054531.db2.gz KEJBAJQXKCSEIS-QGZVFWFLSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@H](CC(=O)NC1(C)CCN(c2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574492043 950055267 /nfs/dbraw/zinc/05/52/67/950055267.db2.gz INJPIDVXHWMGRC-NSHDSACASA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)NC1(C)CCN(c2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574492043 950055289 /nfs/dbraw/zinc/05/52/89/950055289.db2.gz INJPIDVXHWMGRC-NSHDSACASA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)NC(N)=O ZINC001574492007 950057385 /nfs/dbraw/zinc/05/73/85/950057385.db2.gz IEQOWRSBBPWRBE-JQWIXIFHSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001574491988 950057906 /nfs/dbraw/zinc/05/79/06/950057906.db2.gz HYRPRKFQXIXUSW-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001574491988 950057928 /nfs/dbraw/zinc/05/79/28/950057928.db2.gz HYRPRKFQXIXUSW-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nn(C)cc1Cl ZINC001574976186 950058556 /nfs/dbraw/zinc/05/85/56/950058556.db2.gz NIJABKKRRBUZAP-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nn(C)cc1Cl ZINC001574976186 950058579 /nfs/dbraw/zinc/05/85/79/950058579.db2.gz NIJABKKRRBUZAP-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nc(CC2CC2)no1 ZINC001574976206 950058624 /nfs/dbraw/zinc/05/86/24/950058624.db2.gz NTPDZAFIVCDRNV-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nc(CC2CC2)no1 ZINC001574976206 950058646 /nfs/dbraw/zinc/05/86/46/950058646.db2.gz NTPDZAFIVCDRNV-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCCc1cccnc1 ZINC001574976244 950062606 /nfs/dbraw/zinc/06/26/06/950062606.db2.gz OLFTZEIIPXPSCC-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCCc1cccnc1 ZINC001574976244 950062630 /nfs/dbraw/zinc/06/26/30/950062630.db2.gz OLFTZEIIPXPSCC-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1cc2n(n1)CCCC2 ZINC001574976225 950065312 /nfs/dbraw/zinc/06/53/12/950065312.db2.gz OCYXVIDQLHTTKZ-GFCCVEGCSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1cc2n(n1)CCCC2 ZINC001574976225 950065333 /nfs/dbraw/zinc/06/53/33/950065333.db2.gz OCYXVIDQLHTTKZ-GFCCVEGCSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575892283 950066000 /nfs/dbraw/zinc/06/60/00/950066000.db2.gz VGBUWBPLZQWGDY-YPMHNXCESA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575892283 950066020 /nfs/dbraw/zinc/06/60/20/950066020.db2.gz VGBUWBPLZQWGDY-YPMHNXCESA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574976214 950066657 /nfs/dbraw/zinc/06/66/57/950066657.db2.gz NZSNHBDBVQDMBI-ZWNOBZJWSA-N -1 3 381.396 0.606 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1COc2ccccc21 ZINC001574976214 950066679 /nfs/dbraw/zinc/06/66/79/950066679.db2.gz NZSNHBDBVQDMBI-ZWNOBZJWSA-N -1 3 381.396 0.606 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1CC(=O)NC(C)(C)C ZINC001575892458 950069487 /nfs/dbraw/zinc/06/94/87/950069487.db2.gz WIFNIQOHMOKYKF-NEPJUHHUSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)NC(C)(C)C ZINC001575892458 950069507 /nfs/dbraw/zinc/06/95/07/950069507.db2.gz WIFNIQOHMOKYKF-NEPJUHHUSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCCc1ccccn1 ZINC001574976381 950073091 /nfs/dbraw/zinc/07/30/91/950073091.db2.gz RORXUWUOJSJTQM-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCCc1ccccn1 ZINC001574976381 950073107 /nfs/dbraw/zinc/07/31/07/950073107.db2.gz RORXUWUOJSJTQM-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001575892557 950073833 /nfs/dbraw/zinc/07/38/33/950073833.db2.gz XYUOMUNNMYBISN-HTQZYQBOSA-N -1 3 388.413 0.390 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574732545 950075121 /nfs/dbraw/zinc/07/51/21/950075121.db2.gz JUNPSRWNSNOLPU-LLVKDONJSA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574732545 950075146 /nfs/dbraw/zinc/07/51/46/950075146.db2.gz JUNPSRWNSNOLPU-LLVKDONJSA-N -1 3 385.436 0.331 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575892567 950076160 /nfs/dbraw/zinc/07/61/60/950076160.db2.gz YBANEBXWKREEJV-ZYHUDNBSSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575892567 950076184 /nfs/dbraw/zinc/07/61/84/950076184.db2.gz YBANEBXWKREEJV-ZYHUDNBSSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575892600 950077551 /nfs/dbraw/zinc/07/75/51/950077551.db2.gz YHSCUVJYZAMXDJ-DGCLKSJQSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575892600 950077573 /nfs/dbraw/zinc/07/75/73/950077573.db2.gz YHSCUVJYZAMXDJ-DGCLKSJQSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574976502 950081090 /nfs/dbraw/zinc/08/10/90/950081090.db2.gz UMOSOFAASJGPFG-GXSJLCMTSA-N -1 3 383.416 0.273 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC001575577083 950081597 /nfs/dbraw/zinc/08/15/97/950081597.db2.gz VBKRBUDDOVBBNL-LLVKDONJSA-N -1 3 379.396 0.107 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC001575577083 950081616 /nfs/dbraw/zinc/08/16/16/950081616.db2.gz VBKRBUDDOVBBNL-LLVKDONJSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574492459 950081993 /nfs/dbraw/zinc/08/19/93/950081993.db2.gz MXTBEHDIGZKDLZ-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574492459 950082010 /nfs/dbraw/zinc/08/20/10/950082010.db2.gz MXTBEHDIGZKDLZ-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nnc2n1CCCC2 ZINC001574976481 950082173 /nfs/dbraw/zinc/08/21/73/950082173.db2.gz UENVYUAXDUWPKU-NSHDSACASA-N -1 3 384.448 0.373 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nnc2n1CCCC2 ZINC001574976481 950082189 /nfs/dbraw/zinc/08/21/89/950082189.db2.gz UENVYUAXDUWPKU-NSHDSACASA-N -1 3 384.448 0.373 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575892786 950083690 /nfs/dbraw/zinc/08/36/90/950083690.db2.gz ZLGSBLREORQIMU-PWSUYJOCSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575892786 950083707 /nfs/dbraw/zinc/08/37/07/950083707.db2.gz ZLGSBLREORQIMU-PWSUYJOCSA-N -1 3 381.400 0.545 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cccnn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151585 950085287 /nfs/dbraw/zinc/08/52/87/950085287.db2.gz VWCXCJHETRHHMP-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cccnn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151585 950085309 /nfs/dbraw/zinc/08/53/09/950085309.db2.gz VWCXCJHETRHHMP-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncn2C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575893454 950087124 /nfs/dbraw/zinc/08/71/24/950087124.db2.gz AAPZNVGSOCBJPY-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncn2C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575893454 950087144 /nfs/dbraw/zinc/08/71/44/950087144.db2.gz AAPZNVGSOCBJPY-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576183399 950087146 /nfs/dbraw/zinc/08/71/46/950087146.db2.gz RHJDVMNZCKAAJZ-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576183399 950087165 /nfs/dbraw/zinc/08/71/65/950087165.db2.gz RHJDVMNZCKAAJZ-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573836548 950090001 /nfs/dbraw/zinc/09/00/01/950090001.db2.gz NIKLHYFFTYQAAO-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573836548 950090026 /nfs/dbraw/zinc/09/00/26/950090026.db2.gz NIKLHYFFTYQAAO-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2Cl)CCOC1 ZINC001575577936 950090058 /nfs/dbraw/zinc/09/00/58/950090058.db2.gz YQASEDMWHVJLQV-MEBBXXQBSA-N -1 3 381.824 0.231 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2Cl)CCOC1 ZINC001575577936 950090083 /nfs/dbraw/zinc/09/00/83/950090083.db2.gz YQASEDMWHVJLQV-MEBBXXQBSA-N -1 3 381.824 0.231 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1cccc(F)c1 ZINC001574976763 950094182 /nfs/dbraw/zinc/09/41/82/950094182.db2.gz ABRYWSOKFQWLPX-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1cccc(F)c1 ZINC001574976763 950094200 /nfs/dbraw/zinc/09/42/00/950094200.db2.gz ABRYWSOKFQWLPX-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)Oc1ccccc1 ZINC001574976713 950097083 /nfs/dbraw/zinc/09/70/83/950097083.db2.gz ZEEYIMAHVJZGFN-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)Oc1ccccc1 ZINC001574976713 950097104 /nfs/dbraw/zinc/09/71/04/950097104.db2.gz ZEEYIMAHVJZGFN-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1(C2CC2)CCOCC1 ZINC001574976729 950098957 /nfs/dbraw/zinc/09/89/57/950098957.db2.gz ZMKCWPGIRHMFEZ-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1(C2CC2)CCOCC1 ZINC001574976729 950098978 /nfs/dbraw/zinc/09/89/78/950098978.db2.gz ZMKCWPGIRHMFEZ-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3ccccc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575582090 950099588 /nfs/dbraw/zinc/09/95/88/950099588.db2.gz DWIAIOQZAQVMRU-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3ccccc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575582090 950099608 /nfs/dbraw/zinc/09/96/08/950099608.db2.gz DWIAIOQZAQVMRU-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ncccc1-c1nnn[n-]1 ZINC001574733230 950100070 /nfs/dbraw/zinc/10/00/70/950100070.db2.gz WKZHTGIVOZZJHK-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ncccc1-c1nn[n-]n1 ZINC001574733230 950100089 /nfs/dbraw/zinc/10/00/89/950100089.db2.gz WKZHTGIVOZZJHK-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)c1cnco1 ZINC001576183696 950100537 /nfs/dbraw/zinc/10/05/37/950100537.db2.gz SPGHDTBUIOPTSB-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)c1cnco1 ZINC001576183696 950100548 /nfs/dbraw/zinc/10/05/48/950100548.db2.gz SPGHDTBUIOPTSB-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574492705 950102184 /nfs/dbraw/zinc/10/21/84/950102184.db2.gz ORZMKNBFSDHYKR-SJCJKPOMSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574492705 950102200 /nfs/dbraw/zinc/10/22/00/950102200.db2.gz ORZMKNBFSDHYKR-SJCJKPOMSA-N -1 3 382.432 0.590 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574976854 950104554 /nfs/dbraw/zinc/10/45/54/950104554.db2.gz CCNRBKHFUPVTSG-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574976854 950104566 /nfs/dbraw/zinc/10/45/66/950104566.db2.gz CCNRBKHFUPVTSG-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574492707 950104450 /nfs/dbraw/zinc/10/44/50/950104450.db2.gz ORZMKNBFSDHYKR-YVEFUNNKSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574492707 950104469 /nfs/dbraw/zinc/10/44/69/950104469.db2.gz ORZMKNBFSDHYKR-YVEFUNNKSA-N -1 3 382.432 0.590 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCn1cnnn1 ZINC001574152406 950104664 /nfs/dbraw/zinc/10/46/64/950104664.db2.gz BKTDJXJHPROKIX-ZDUSSCGKSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCn1cnnn1 ZINC001574152406 950104681 /nfs/dbraw/zinc/10/46/81/950104681.db2.gz BKTDJXJHPROKIX-ZDUSSCGKSA-N -1 3 385.436 0.281 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C)nc1Cl ZINC001574976907 950104867 /nfs/dbraw/zinc/10/48/67/950104867.db2.gz CHVMILUUEOTIDW-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C)nc1Cl ZINC001574976907 950104880 /nfs/dbraw/zinc/10/48/80/950104880.db2.gz CHVMILUUEOTIDW-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573837400 950106147 /nfs/dbraw/zinc/10/61/47/950106147.db2.gz ZKMVDRUVRWLASK-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573837400 950106156 /nfs/dbraw/zinc/10/61/56/950106156.db2.gz ZKMVDRUVRWLASK-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575894635 950106346 /nfs/dbraw/zinc/10/63/46/950106346.db2.gz FLBNEMUNOKIIMR-NOZJJQNGSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575894635 950106359 /nfs/dbraw/zinc/10/63/59/950106359.db2.gz FLBNEMUNOKIIMR-NOZJJQNGSA-N -1 3 384.375 0.762 20 0 GCADHM CC1(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001575582290 950112342 /nfs/dbraw/zinc/11/23/42/950112342.db2.gz HWFRVDKHMKZPGB-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001575582290 950112353 /nfs/dbraw/zinc/11/23/53/950112353.db2.gz HWFRVDKHMKZPGB-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573838409 950112642 /nfs/dbraw/zinc/11/26/42/950112642.db2.gz CLILRCFAIVNKTF-LBPRGKRZSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573838409 950112658 /nfs/dbraw/zinc/11/26/58/950112658.db2.gz CLILRCFAIVNKTF-LBPRGKRZSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)NC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574492990 950113066 /nfs/dbraw/zinc/11/30/66/950113066.db2.gz QCTILDFMZIUQFU-JTQLQIEISA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CC(=O)NC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574492990 950113084 /nfs/dbraw/zinc/11/30/84/950113084.db2.gz QCTILDFMZIUQFU-JTQLQIEISA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1nc2c(s1)CCC2 ZINC001574977081 950113756 /nfs/dbraw/zinc/11/37/56/950113756.db2.gz GQUKFAQACHJCDL-QMMMGPOBSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1nc2c(s1)CCC2 ZINC001574977081 950113767 /nfs/dbraw/zinc/11/37/67/950113767.db2.gz GQUKFAQACHJCDL-QMMMGPOBSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575582501 950116168 /nfs/dbraw/zinc/11/61/68/950116168.db2.gz DUXQNGGQJZLLRV-KPZWWZAWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575582501 950116187 /nfs/dbraw/zinc/11/61/87/950116187.db2.gz DUXQNGGQJZLLRV-KPZWWZAWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)CCOCC1 ZINC001575582536 950117049 /nfs/dbraw/zinc/11/70/49/950117049.db2.gz FIPHCHWTLBGCAU-QKDCVEJESA-N -1 3 383.456 0.877 20 0 GCADHM CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)CCOCC1 ZINC001575582536 950117063 /nfs/dbraw/zinc/11/70/63/950117063.db2.gz FIPHCHWTLBGCAU-QKDCVEJESA-N -1 3 383.456 0.877 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574493167 950118871 /nfs/dbraw/zinc/11/88/71/950118871.db2.gz FACIKJZUPCRSIH-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574493167 950118878 /nfs/dbraw/zinc/11/88/78/950118878.db2.gz FACIKJZUPCRSIH-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncc2n1CCCC2 ZINC001574977600 950121197 /nfs/dbraw/zinc/12/11/97/950121197.db2.gz MCYPZDIBPHDYOI-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncc2n1CCCC2 ZINC001574977600 950121208 /nfs/dbraw/zinc/12/12/08/950121208.db2.gz MCYPZDIBPHDYOI-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM CC1(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)CC1 ZINC001575582614 950122051 /nfs/dbraw/zinc/12/20/51/950122051.db2.gz LJWDEZLQBZRBRJ-MRXNPFEDSA-N -1 3 377.836 0.773 20 0 GCADHM CC1(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)CC1 ZINC001575582614 950122073 /nfs/dbraw/zinc/12/20/73/950122073.db2.gz LJWDEZLQBZRBRJ-MRXNPFEDSA-N -1 3 377.836 0.773 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 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VLZGETVPSBPXEF-DGCLKSJQSA-N -1 3 387.448 0.217 20 0 GCADHM C[C@@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576184412 950127281 /nfs/dbraw/zinc/12/72/81/950127281.db2.gz VLZGETVPSBPXEF-DGCLKSJQSA-N -1 3 387.448 0.217 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575582872 950129837 /nfs/dbraw/zinc/12/98/37/950129837.db2.gz IFTLNZCPMOEWLO-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575582872 950129858 /nfs/dbraw/zinc/12/98/58/950129858.db2.gz IFTLNZCPMOEWLO-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575896526 950131013 /nfs/dbraw/zinc/13/10/13/950131013.db2.gz MKTQXXNPSNUOKZ-PWSUYJOCSA-N -1 3 387.473 0.840 20 0 GCADHM CC(C)C[C@@H](CNCc1nncs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574153176 950131744 /nfs/dbraw/zinc/13/17/44/950131744.db2.gz OTQBOJFPGMWHAB-JTQLQIEISA-N -1 3 375.462 0.981 20 0 GCADHM 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950133574 /nfs/dbraw/zinc/13/35/74/950133574.db2.gz GTWKJPTVGAVJIU-PWSUYJOCSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)[C@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574493410 950133586 /nfs/dbraw/zinc/13/35/86/950133586.db2.gz GTWKJPTVGAVJIU-PWSUYJOCSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574153283 950138656 /nfs/dbraw/zinc/13/86/56/950138656.db2.gz QXTIXZNCPCGZMF-ZIAGYGMSSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574153283 950138669 /nfs/dbraw/zinc/13/86/69/950138669.db2.gz QXTIXZNCPCGZMF-ZIAGYGMSSA-N -1 3 386.460 0.873 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575583123 950138733 /nfs/dbraw/zinc/13/87/33/950138733.db2.gz OOTCZADCRPTIDM-SFHVURJKSA-N -1 3 387.444 0.136 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575583123 950138744 /nfs/dbraw/zinc/13/87/44/950138744.db2.gz 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950147466 /nfs/dbraw/zinc/14/74/66/950147466.db2.gz WUKJCGKAQCJROZ-VIFPVBQESA-N -1 3 384.400 0.537 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cc(C2CC2)no1 ZINC001574979155 950147481 /nfs/dbraw/zinc/14/74/81/950147481.db2.gz WUKJCGKAQCJROZ-VIFPVBQESA-N -1 3 384.400 0.537 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575898163 950148240 /nfs/dbraw/zinc/14/82/40/950148240.db2.gz QTSUDUCJBNFTBX-CMPLNLGQSA-N -1 3 383.416 0.488 20 0 GCADHM CC(C)(C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573842552 950150450 /nfs/dbraw/zinc/15/04/50/950150450.db2.gz HFAZXJHIURNWRE-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573842552 950150469 /nfs/dbraw/zinc/15/04/69/950150469.db2.gz HFAZXJHIURNWRE-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574494117 950150815 /nfs/dbraw/zinc/15/08/15/950150815.db2.gz WVWCEYZWQHHEEQ-ZJUUUORDSA-N -1 3 378.462 0.066 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001573842649 950152166 /nfs/dbraw/zinc/15/21/66/950152166.db2.gz JQEDKEQWCVHSEL-SMDDNHRTSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001573842649 950152178 /nfs/dbraw/zinc/15/21/78/950152178.db2.gz JQEDKEQWCVHSEL-SMDDNHRTSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)NC(N)=O ZINC001574494008 950152767 /nfs/dbraw/zinc/15/27/67/950152767.db2.gz WPXHOHVZPSAZBK-GXFFZTMASA-N -1 3 390.423 0.143 20 0 GCADHM CC(C)(C)CCCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573842650 950152979 /nfs/dbraw/zinc/15/29/79/950152979.db2.gz JQOKXNYBYWEZRU-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CCCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573842650 950152989 /nfs/dbraw/zinc/15/29/89/950152989.db2.gz JQOKXNYBYWEZRU-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001574982236 950154850 /nfs/dbraw/zinc/15/48/50/950154850.db2.gz ACURELFAGJEXLB-JTQLQIEISA-N -1 3 382.428 0.808 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001574982236 950154865 /nfs/dbraw/zinc/15/48/65/950154865.db2.gz ACURELFAGJEXLB-JTQLQIEISA-N -1 3 382.428 0.808 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2ncccc2-c2nnn[n-]2)CCNC1=O ZINC001575583783 950155064 /nfs/dbraw/zinc/15/50/64/950155064.db2.gz NPDLFKAUEGNTHK-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCCN2c2ncccc2-c2nn[n-]n2)CCNC1=O ZINC001575583783 950155080 /nfs/dbraw/zinc/15/50/80/950155080.db2.gz NPDLFKAUEGNTHK-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C=CCC1 ZINC001575583782 950155293 /nfs/dbraw/zinc/15/52/93/950155293.db2.gz UMPWPMDIATZDRP-QZTJIDSGSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C=CCC1 ZINC001575583782 950155314 /nfs/dbraw/zinc/15/53/14/950155314.db2.gz UMPWPMDIATZDRP-QZTJIDSGSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575898480 950156436 /nfs/dbraw/zinc/15/64/36/950156436.db2.gz SKYJKOXOLJQZBG-GXFFZTMASA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575898480 950156449 /nfs/dbraw/zinc/15/64/49/950156449.db2.gz SKYJKOXOLJQZBG-GXFFZTMASA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573842795 950157267 /nfs/dbraw/zinc/15/72/67/950157267.db2.gz KSHJXOGGNQGFPX-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573842795 950157279 /nfs/dbraw/zinc/15/72/79/950157279.db2.gz KSHJXOGGNQGFPX-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNc1ncnc2c1cnn2C ZINC001574982238 950157316 /nfs/dbraw/zinc/15/73/16/950157316.db2.gz ADQJNHZQASCYDL-SECBINFHSA-N -1 3 381.404 0.350 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNc1ncnc2c1cnn2C ZINC001574982238 950157333 /nfs/dbraw/zinc/15/73/33/950157333.db2.gz ADQJNHZQASCYDL-SECBINFHSA-N -1 3 381.404 0.350 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574982283 950158210 /nfs/dbraw/zinc/15/82/10/950158210.db2.gz AMYAJBLFXUDODN-VIFPVBQESA-N -1 3 386.391 0.911 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574982283 950158224 /nfs/dbraw/zinc/15/82/24/950158224.db2.gz AMYAJBLFXUDODN-VIFPVBQESA-N -1 3 386.391 0.911 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574735037 950159020 /nfs/dbraw/zinc/15/90/20/950159020.db2.gz XVPFDRWRIPZYCM-JOYOIKCWSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574735037 950159031 /nfs/dbraw/zinc/15/90/31/950159031.db2.gz XVPFDRWRIPZYCM-JOYOIKCWSA-N -1 3 392.851 0.843 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1COCCO1 ZINC001574154037 950160829 /nfs/dbraw/zinc/16/08/29/950160829.db2.gz ZUQCNIWMMOHFRL-ZIAGYGMSSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1COCCO1 ZINC001574154037 950160842 /nfs/dbraw/zinc/16/08/42/950160842.db2.gz ZUQCNIWMMOHFRL-ZIAGYGMSSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575898818 950161100 /nfs/dbraw/zinc/16/11/00/950161100.db2.gz UZMFBNQAAOOIBO-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575898818 950161110 /nfs/dbraw/zinc/16/11/10/950161110.db2.gz UZMFBNQAAOOIBO-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1ccnc1 ZINC001574494308 950161518 /nfs/dbraw/zinc/16/15/18/950161518.db2.gz KASNPSALOHPOMZ-RYUDHWBXSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1ccnc1 ZINC001574494308 950161529 /nfs/dbraw/zinc/16/15/29/950161529.db2.gz KASNPSALOHPOMZ-RYUDHWBXSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575898846 950162022 /nfs/dbraw/zinc/16/20/22/950162022.db2.gz VDPWDQOWUGEOCX-GWCFXTLKSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575898846 950162033 /nfs/dbraw/zinc/16/20/33/950162033.db2.gz VDPWDQOWUGEOCX-GWCFXTLKSA-N -1 3 382.432 0.365 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@H](C)NC(N)=O ZINC001574154042 950162400 /nfs/dbraw/zinc/16/24/00/950162400.db2.gz ZVJZCANAAPPOQK-AAEUAGOBSA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@H](C)NC(N)=O ZINC001574154042 950162414 /nfs/dbraw/zinc/16/24/14/950162414.db2.gz ZVJZCANAAPPOQK-AAEUAGOBSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1cn(C(C)(C)C)nn1 ZINC001574738031 950163899 /nfs/dbraw/zinc/16/38/99/950163899.db2.gz BGGJKZIILOBCBC-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3cccc(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575584245 950167453 /nfs/dbraw/zinc/16/74/53/950167453.db2.gz XHYAYBVBQQOMGC-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3cccc(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575584245 950167464 /nfs/dbraw/zinc/16/74/64/950167464.db2.gz XHYAYBVBQQOMGC-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H](C)c1ccnn1C ZINC001574982439 950168487 /nfs/dbraw/zinc/16/84/87/950168487.db2.gz CNAPOVHRWKMWIX-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H](C)c1ccnn1C ZINC001574982439 950168494 /nfs/dbraw/zinc/16/84/94/950168494.db2.gz CNAPOVHRWKMWIX-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1cccn1 ZINC001574494554 950170924 /nfs/dbraw/zinc/17/09/24/950170924.db2.gz LBHWBGKKWQKTMU-NWDGAFQWSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1cccn1 ZINC001574494554 950170942 /nfs/dbraw/zinc/17/09/42/950170942.db2.gz LBHWBGKKWQKTMU-NWDGAFQWSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccnn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899510 950171282 /nfs/dbraw/zinc/17/12/82/950171282.db2.gz WZWKMADVVDVWFP-WDEREUQCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccnn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899510 950171294 /nfs/dbraw/zinc/17/12/94/950171294.db2.gz WZWKMADVVDVWFP-WDEREUQCSA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573843368 950172193 /nfs/dbraw/zinc/17/21/93/950172193.db2.gz VYEFIQDIWFMTQK-JSGCOSHPSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573843368 950172209 /nfs/dbraw/zinc/17/22/09/950172209.db2.gz VYEFIQDIWFMTQK-JSGCOSHPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899714 950173158 /nfs/dbraw/zinc/17/31/58/950173158.db2.gz YGBYIPWZVNEABX-QWRGUYRKSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899714 950173166 /nfs/dbraw/zinc/17/31/66/950173166.db2.gz YGBYIPWZVNEABX-QWRGUYRKSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001573843370 950174786 /nfs/dbraw/zinc/17/47/86/950174786.db2.gz VYEFIQDIWFMTQK-TZMCWYRMSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001573843370 950174799 /nfs/dbraw/zinc/17/47/99/950174799.db2.gz VYEFIQDIWFMTQK-TZMCWYRMSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1ccnc1 ZINC001574494695 950177954 /nfs/dbraw/zinc/17/79/54/950177954.db2.gz MSJQWZZDCLNOSJ-WCQYABFASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1ccnc1 ZINC001574494695 950177966 /nfs/dbraw/zinc/17/79/66/950177966.db2.gz MSJQWZZDCLNOSJ-WCQYABFASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575899802 950178292 /nfs/dbraw/zinc/17/82/92/950178292.db2.gz ZPPWHZHQQWNCNP-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899802 950178310 /nfs/dbraw/zinc/17/83/10/950178310.db2.gz ZPPWHZHQQWNCNP-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1cn(CC2CC2)nn1 ZINC001574738910 950178736 /nfs/dbraw/zinc/17/87/36/950178736.db2.gz JCMONQVEWMDARS-LLVKDONJSA-N -1 3 384.448 0.447 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574494730 950178902 /nfs/dbraw/zinc/17/89/02/950178902.db2.gz NJLQONGSGQORII-JQWIXIFHSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574494730 950178917 /nfs/dbraw/zinc/17/89/17/950178917.db2.gz NJLQONGSGQORII-JQWIXIFHSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1cccc1 ZINC001574494716 950179025 /nfs/dbraw/zinc/17/90/25/950179025.db2.gz NEOCGRNEQOGDEJ-YPMHNXCESA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1cccc1 ZINC001574494716 950179041 /nfs/dbraw/zinc/17/90/41/950179041.db2.gz NEOCGRNEQOGDEJ-YPMHNXCESA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1c(F)cncc1F ZINC001574982696 950178926 /nfs/dbraw/zinc/17/89/26/950178926.db2.gz GDCPCUIIDMWCGA-QMMMGPOBSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1c(F)cncc1F ZINC001574982696 950178936 /nfs/dbraw/zinc/17/89/36/950178936.db2.gz GDCPCUIIDMWCGA-QMMMGPOBSA-N -1 3 390.354 0.664 20 0 GCADHM CC(C)(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573843458 950179338 /nfs/dbraw/zinc/17/93/38/950179338.db2.gz YRPPUBRQVAMLEW-CHWSQXEVSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573843458 950179350 /nfs/dbraw/zinc/17/93/50/950179350.db2.gz YRPPUBRQVAMLEW-CHWSQXEVSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C)nc1Cl ZINC001574738894 950179733 /nfs/dbraw/zinc/17/97/33/950179733.db2.gz IYKPZOATMKVRGT-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C)nc1Cl ZINC001574738894 950179744 /nfs/dbraw/zinc/17/97/44/950179744.db2.gz IYKPZOATMKVRGT-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)c1Cl ZINC001574739204 950185831 /nfs/dbraw/zinc/18/58/31/950185831.db2.gz MVYOVAOQOLIRHI-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)c1Cl ZINC001574739204 950185839 /nfs/dbraw/zinc/18/58/39/950185839.db2.gz MVYOVAOQOLIRHI-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1csc(=O)[nH]1 ZINC001574739197 950185966 /nfs/dbraw/zinc/18/59/66/950185966.db2.gz MSWCGJKYHABRRC-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1nn(C)cc1Cl ZINC001574739202 950186738 /nfs/dbraw/zinc/18/67/38/950186738.db2.gz MVPSLAJJDCOMSW-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1nn(C)cc1Cl ZINC001574739202 950186751 /nfs/dbraw/zinc/18/67/51/950186751.db2.gz MVPSLAJJDCOMSW-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575899953 950187651 /nfs/dbraw/zinc/18/76/51/950187651.db2.gz BCQNNVPJTUIMGE-MWLCHTKSSA-N -1 3 388.461 0.235 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001575899953 950187667 /nfs/dbraw/zinc/18/76/67/950187667.db2.gz BCQNNVPJTUIMGE-MWLCHTKSSA-N -1 3 388.461 0.235 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1)c1ccncc1 ZINC001574494859 950187959 /nfs/dbraw/zinc/18/79/59/950187959.db2.gz PILHOGSOUBANCG-GXTWGEPZSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1)c1ccncc1 ZINC001574494859 950187971 /nfs/dbraw/zinc/18/79/71/950187971.db2.gz PILHOGSOUBANCG-GXTWGEPZSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1)c1ccncc1 ZINC001574494862 950189499 /nfs/dbraw/zinc/18/94/99/950189499.db2.gz PILHOGSOUBANCG-TZMCWYRMSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1)c1ccncc1 ZINC001574494862 950189509 /nfs/dbraw/zinc/18/95/09/950189509.db2.gz PILHOGSOUBANCG-TZMCWYRMSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576191221 950190086 /nfs/dbraw/zinc/19/00/86/950190086.db2.gz HBZVNCKTNPDMJF-QWHCGFSZSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576191221 950190091 /nfs/dbraw/zinc/19/00/91/950190091.db2.gz HBZVNCKTNPDMJF-QWHCGFSZSA-N -1 3 382.432 0.450 20 0 GCADHM CC(C)(C)CCCC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573844367 950191985 /nfs/dbraw/zinc/19/19/85/950191985.db2.gz HSXCNHXJNGUBJD-LBPRGKRZSA-N -1 3 377.449 0.618 20 0 GCADHM CC(C)(C)CCCC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573844367 950192000 /nfs/dbraw/zinc/19/20/00/950192000.db2.gz HSXCNHXJNGUBJD-LBPRGKRZSA-N -1 3 377.449 0.618 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2csnn2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575900269 950193924 /nfs/dbraw/zinc/19/39/24/950193924.db2.gz CZWYRUINYHVJAZ-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2csnn2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575900269 950193934 /nfs/dbraw/zinc/19/39/34/950193934.db2.gz CZWYRUINYHVJAZ-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cncnc1)C1CC1 ZINC001574983060 950195293 /nfs/dbraw/zinc/19/52/93/950195293.db2.gz JKSHVKNIAPSIST-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cncnc1)C1CC1 ZINC001574983060 950195305 /nfs/dbraw/zinc/19/53/05/950195305.db2.gz JKSHVKNIAPSIST-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575900334 950198133 /nfs/dbraw/zinc/19/81/33/950198133.db2.gz DWTJKOJZGSWYGL-ZYHUDNBSSA-N -1 3 387.473 0.840 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574155595 950200354 /nfs/dbraw/zinc/20/03/54/950200354.db2.gz ONLVCOGRFKGXQP-UGSOOPFHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574155595 950200372 /nfs/dbraw/zinc/20/03/72/950200372.db2.gz ONLVCOGRFKGXQP-UGSOOPFHSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)c1ccncc1 ZINC001574496060 950206547 /nfs/dbraw/zinc/20/65/47/950206547.db2.gz UYTHZHZHUGRNDQ-SWLSCSKDSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)c1ccncc1 ZINC001574496060 950206565 /nfs/dbraw/zinc/20/65/65/950206565.db2.gz UYTHZHZHUGRNDQ-SWLSCSKDSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001574983191 950207152 /nfs/dbraw/zinc/20/71/52/950207152.db2.gz MDNKSGRYRYAIMZ-INIZCTEOSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001574983191 950207169 /nfs/dbraw/zinc/20/71/69/950207169.db2.gz MDNKSGRYRYAIMZ-INIZCTEOSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1noc2c1COCC2 ZINC001574739774 950208900 /nfs/dbraw/zinc/20/89/00/950208900.db2.gz XMCOPRFYYHWGCD-JTQLQIEISA-N -1 3 386.416 0.506 20 0 GCADHM CC(C)[C@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574496110 950211449 /nfs/dbraw/zinc/21/14/49/950211449.db2.gz VURSKSBMHVNBQL-MFKMUULPSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)[C@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574496110 950211467 /nfs/dbraw/zinc/21/14/67/950211467.db2.gz VURSKSBMHVNBQL-MFKMUULPSA-N -1 3 375.437 0.261 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574496153 950213480 /nfs/dbraw/zinc/21/34/80/950213480.db2.gz VYICMDWYGVQULR-MNOVXSKESA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574496153 950213498 /nfs/dbraw/zinc/21/34/98/950213498.db2.gz VYICMDWYGVQULR-MNOVXSKESA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cnn(C)c1 ZINC001574739996 950217725 /nfs/dbraw/zinc/21/77/25/950217725.db2.gz ATCCIIBSOSYEOU-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cnn(C)c1 ZINC001574739996 950217744 /nfs/dbraw/zinc/21/77/44/950217744.db2.gz ATCCIIBSOSYEOU-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)C1(C)CCOCC1 ZINC001574983415 950217664 /nfs/dbraw/zinc/21/76/64/950217664.db2.gz OTMRRWIARAJRBY-LLVKDONJSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)C1(C)CCOCC1 ZINC001574983415 950217678 /nfs/dbraw/zinc/21/76/78/950217678.db2.gz OTMRRWIARAJRBY-LLVKDONJSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574740010 950218724 /nfs/dbraw/zinc/21/87/24/950218724.db2.gz AWQZXTUGDWLMMF-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574740010 950218741 /nfs/dbraw/zinc/21/87/41/950218741.db2.gz AWQZXTUGDWLMMF-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574740016 950219302 /nfs/dbraw/zinc/21/93/02/950219302.db2.gz AYCVBYLKMGEGDV-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574740016 950219328 /nfs/dbraw/zinc/21/93/28/950219328.db2.gz AYCVBYLKMGEGDV-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001574983392 950219344 /nfs/dbraw/zinc/21/93/44/950219344.db2.gz OHLMRYHQQOEWCW-QGZVFWFLSA-N -1 3 387.444 0.515 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001574983392 950219361 /nfs/dbraw/zinc/21/93/61/950219361.db2.gz OHLMRYHQQOEWCW-QGZVFWFLSA-N -1 3 387.444 0.515 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574497000 950219621 /nfs/dbraw/zinc/21/96/21/950219621.db2.gz YCAVYQPRAHAREM-QWRGUYRKSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574497000 950219637 /nfs/dbraw/zinc/21/96/37/950219637.db2.gz YCAVYQPRAHAREM-QWRGUYRKSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCCC(=O)N(C)C ZINC001574740199 950219694 /nfs/dbraw/zinc/21/96/94/950219694.db2.gz BSNPPBRZKWTLDU-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCCC(=O)N(C)C ZINC001574740199 950219711 /nfs/dbraw/zinc/21/97/11/950219711.db2.gz BSNPPBRZKWTLDU-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001574983402 950220686 /nfs/dbraw/zinc/22/06/86/950220686.db2.gz OLPIMTJERKUEDG-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001574983402 950220703 /nfs/dbraw/zinc/22/07/03/950220703.db2.gz OLPIMTJERKUEDG-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574740009 950221947 /nfs/dbraw/zinc/22/19/47/950221947.db2.gz AWQZXTUGDWLMMF-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574740009 950221962 /nfs/dbraw/zinc/22/19/62/950221962.db2.gz AWQZXTUGDWLMMF-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM CC(C)(C)CCCC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573845356 950222438 /nfs/dbraw/zinc/22/24/38/950222438.db2.gz YAXBRXVDKXTJCX-NSHDSACASA-N -1 3 377.449 0.618 20 0 GCADHM CC(C)(C)CCCC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573845356 950222458 /nfs/dbraw/zinc/22/24/58/950222458.db2.gz YAXBRXVDKXTJCX-NSHDSACASA-N -1 3 377.449 0.618 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)c1cocn1 ZINC001576192059 950223342 /nfs/dbraw/zinc/22/33/42/950223342.db2.gz LHLWABNMXUWBSH-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)c1cocn1 ZINC001576192059 950223361 /nfs/dbraw/zinc/22/33/61/950223361.db2.gz LHLWABNMXUWBSH-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)c1cocn1 ZINC001576192053 950225534 /nfs/dbraw/zinc/22/55/34/950225534.db2.gz LHLWABNMXUWBSH-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)c1cocn1 ZINC001576192053 950225557 /nfs/dbraw/zinc/22/55/57/950225557.db2.gz LHLWABNMXUWBSH-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1ccnc1 ZINC001574497111 950225996 /nfs/dbraw/zinc/22/59/96/950225996.db2.gz YZIXTPYNWKLPTF-FZMZJTMJSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1ccnc1 ZINC001574497111 950226011 /nfs/dbraw/zinc/22/60/11/950226011.db2.gz YZIXTPYNWKLPTF-FZMZJTMJSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccn1 ZINC001574497648 950232172 /nfs/dbraw/zinc/23/21/72/950232172.db2.gz AMKLSNRQSOLMEY-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccn1 ZINC001574497648 950232187 /nfs/dbraw/zinc/23/21/87/950232187.db2.gz AMKLSNRQSOLMEY-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H]1CCCCO1 ZINC001574740765 950232507 /nfs/dbraw/zinc/23/25/07/950232507.db2.gz GEESJLLRAFKRFE-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CCCCO1 ZINC001574740765 950232520 /nfs/dbraw/zinc/23/25/20/950232520.db2.gz GEESJLLRAFKRFE-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575587263 950232877 /nfs/dbraw/zinc/23/28/77/950232877.db2.gz NAIFWSWDOJCKEM-KPZWWZAWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575587263 950232892 /nfs/dbraw/zinc/23/28/92/950232892.db2.gz NAIFWSWDOJCKEM-KPZWWZAWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2F)CCOC1 ZINC001575587311 950232999 /nfs/dbraw/zinc/23/29/99/950232999.db2.gz NKVAEAZRNSQNKA-SJCJKPOMSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001575587311 950233017 /nfs/dbraw/zinc/23/30/17/950233017.db2.gz NKVAEAZRNSQNKA-SJCJKPOMSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001574983698 950233445 /nfs/dbraw/zinc/23/34/45/950233445.db2.gz RRRUIFFMLWHVQZ-BBATYDOGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001574983698 950233472 /nfs/dbraw/zinc/23/34/72/950233472.db2.gz RRRUIFFMLWHVQZ-BBATYDOGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574740769 950235578 /nfs/dbraw/zinc/23/55/78/950235578.db2.gz GGYCRGOGJDPUKQ-JTQLQIEISA-N -1 3 384.400 0.115 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574740769 950235595 /nfs/dbraw/zinc/23/55/95/950235595.db2.gz GGYCRGOGJDPUKQ-JTQLQIEISA-N -1 3 384.400 0.115 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1(C)CCOCC1 ZINC001574741264 950240587 /nfs/dbraw/zinc/24/05/87/950240587.db2.gz IUGOSGBIENODQK-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1(C)CCOCC1 ZINC001574741264 950240597 /nfs/dbraw/zinc/24/05/97/950240597.db2.gz IUGOSGBIENODQK-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573845755 950242493 /nfs/dbraw/zinc/24/24/93/950242493.db2.gz KPXATWZYQDZQMR-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573845755 950242512 /nfs/dbraw/zinc/24/25/12/950242512.db2.gz KPXATWZYQDZQMR-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn2c(n1)CCC2 ZINC001574741425 950242576 /nfs/dbraw/zinc/24/25/76/950242576.db2.gz BDKUJNPAKLIVLO-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn2c(n1)CCC2 ZINC001574741425 950242597 /nfs/dbraw/zinc/24/25/97/950242597.db2.gz BDKUJNPAKLIVLO-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575901841 950243701 /nfs/dbraw/zinc/24/37/01/950243701.db2.gz QOTGMAKZZNCGKF-ZYHUDNBSSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575901841 950243722 /nfs/dbraw/zinc/24/37/22/950243722.db2.gz QOTGMAKZZNCGKF-ZYHUDNBSSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn2c(n1)CCC2 ZINC001574741427 950243725 /nfs/dbraw/zinc/24/37/25/950243725.db2.gz BDKUJNPAKLIVLO-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn2c(n1)CCC2 ZINC001574741427 950243746 /nfs/dbraw/zinc/24/37/46/950243746.db2.gz BDKUJNPAKLIVLO-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576192423 950244376 /nfs/dbraw/zinc/24/43/76/950244376.db2.gz NYAKBIXRYXUUHR-GXFFZTMASA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576192423 950244391 /nfs/dbraw/zinc/24/43/91/950244391.db2.gz NYAKBIXRYXUUHR-GXFFZTMASA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@]1(C(=O)NCC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOC1 ZINC001575588044 950244789 /nfs/dbraw/zinc/24/47/89/950244789.db2.gz PNGMGTULJPCMEP-GOSISDBHSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)NCC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOC1 ZINC001575588044 950244800 /nfs/dbraw/zinc/24/48/00/950244800.db2.gz PNGMGTULJPCMEP-GOSISDBHSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cccnc1 ZINC001574741409 950245187 /nfs/dbraw/zinc/24/51/87/950245187.db2.gz AXMZNZPSTWRJFR-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cccnc1 ZINC001574741409 950245194 /nfs/dbraw/zinc/24/51/94/950245194.db2.gz AXMZNZPSTWRJFR-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576192478 950245817 /nfs/dbraw/zinc/24/58/17/950245817.db2.gz OJDQDQMTQAYTQS-QWRGUYRKSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576192478 950245841 /nfs/dbraw/zinc/24/58/41/950245841.db2.gz OJDQDQMTQAYTQS-QWRGUYRKSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574983932 950246723 /nfs/dbraw/zinc/24/67/23/950246723.db2.gz SLGNEHMWKCTGSG-SNVBAGLBSA-N -1 3 386.391 0.339 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574983932 950246741 /nfs/dbraw/zinc/24/67/41/950246741.db2.gz SLGNEHMWKCTGSG-SNVBAGLBSA-N -1 3 386.391 0.339 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573846587 950251002 /nfs/dbraw/zinc/25/10/02/950251002.db2.gz SYHHTQPXDXDECL-GFCCVEGCSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573846587 950251021 /nfs/dbraw/zinc/25/10/21/950251021.db2.gz SYHHTQPXDXDECL-GFCCVEGCSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575588761 950251546 /nfs/dbraw/zinc/25/15/46/950251546.db2.gz RTKDSXIACMTFMS-KPZWWZAWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575588761 950251561 /nfs/dbraw/zinc/25/15/61/950251561.db2.gz RTKDSXIACMTFMS-KPZWWZAWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574497957 950252700 /nfs/dbraw/zinc/25/27/00/950252700.db2.gz HDDCSPNZIDGBKM-SECBINFHSA-N -1 3 376.396 0.513 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574497957 950252715 /nfs/dbraw/zinc/25/27/15/950252715.db2.gz HDDCSPNZIDGBKM-SECBINFHSA-N -1 3 376.396 0.513 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574741772 950253807 /nfs/dbraw/zinc/25/38/07/950253807.db2.gz CKIWYCHUVTWWCU-OLZOCXBDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574741772 950253824 /nfs/dbraw/zinc/25/38/24/950253824.db2.gz CKIWYCHUVTWWCU-OLZOCXBDSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573846916 950253708 /nfs/dbraw/zinc/25/37/08/950253708.db2.gz WLOICQMIHUPDGY-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573846916 950253722 /nfs/dbraw/zinc/25/37/22/950253722.db2.gz WLOICQMIHUPDGY-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM C[C@@H](CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574498024 950254556 /nfs/dbraw/zinc/25/45/56/950254556.db2.gz INYDCUVSKGUJDA-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574498024 950254568 /nfs/dbraw/zinc/25/45/68/950254568.db2.gz INYDCUVSKGUJDA-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c(F)cncc1F ZINC001574741994 950257270 /nfs/dbraw/zinc/25/72/70/950257270.db2.gz FNPZIWKQGLPPJH-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c(F)cncc1F ZINC001574741994 950257286 /nfs/dbraw/zinc/25/72/86/950257286.db2.gz FNPZIWKQGLPPJH-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CCC1)NC(N)=O ZINC001574498052 950257848 /nfs/dbraw/zinc/25/78/48/950257848.db2.gz JBOXPOTTXDJSBV-SNVBAGLBSA-N -1 3 390.423 0.904 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CCC1)NC(N)=O ZINC001574498052 950257873 /nfs/dbraw/zinc/25/78/73/950257873.db2.gz JBOXPOTTXDJSBV-SNVBAGLBSA-N -1 3 390.423 0.904 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576192615 950257899 /nfs/dbraw/zinc/25/78/99/950257899.db2.gz OAWWGBXHPJZAJS-MFKMUULPSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576192615 950257919 /nfs/dbraw/zinc/25/79/19/950257919.db2.gz OAWWGBXHPJZAJS-MFKMUULPSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1ncc(F)cc1F ZINC001574984044 950258030 /nfs/dbraw/zinc/25/80/30/950258030.db2.gz VOIFWFLFMFXXRX-QMMMGPOBSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1ncc(F)cc1F ZINC001574984044 950258050 /nfs/dbraw/zinc/25/80/50/950258050.db2.gz VOIFWFLFMFXXRX-QMMMGPOBSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccn1 ZINC001574498095 950259510 /nfs/dbraw/zinc/25/95/10/950259510.db2.gz JVVNRFARLFNBGE-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccn1 ZINC001574498095 950259525 /nfs/dbraw/zinc/25/95/25/950259525.db2.gz JVVNRFARLFNBGE-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ccccn1)C1CC1 ZINC001574984115 950260219 /nfs/dbraw/zinc/26/02/19/950260219.db2.gz XCNSSWPVEXLGCJ-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ccccn1)C1CC1 ZINC001574984115 950260237 /nfs/dbraw/zinc/26/02/37/950260237.db2.gz XCNSSWPVEXLGCJ-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)CC(C)(C)O ZINC001576192697 950261947 /nfs/dbraw/zinc/26/19/47/950261947.db2.gz QBXCRVXGUOSVMS-NWDGAFQWSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)CC(C)(C)O ZINC001576192697 950261964 /nfs/dbraw/zinc/26/19/64/950261964.db2.gz QBXCRVXGUOSVMS-NWDGAFQWSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574984468 950276748 /nfs/dbraw/zinc/27/67/48/950276748.db2.gz XZOISCUSVZLPCN-SSDOTTSWSA-N -1 3 389.807 0.573 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574984468 950276761 /nfs/dbraw/zinc/27/67/61/950276761.db2.gz XZOISCUSVZLPCN-SSDOTTSWSA-N -1 3 389.807 0.573 20 0 GCADHM CC1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001575592104 950277491 /nfs/dbraw/zinc/27/74/91/950277491.db2.gz CUMDWXIYBJSTFP-UHFFFAOYSA-N -1 3 375.433 0.326 20 0 GCADHM CC1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001575592104 950277508 /nfs/dbraw/zinc/27/75/08/950277508.db2.gz CUMDWXIYBJSTFP-UHFFFAOYSA-N -1 3 375.433 0.326 20 0 GCADHM CC(C)(C)OC(=O)COCCOCCNCc1nc(-c2nnn[n-]2)cs1 ZINC001573850835 950279755 /nfs/dbraw/zinc/27/97/55/950279755.db2.gz MTVSWJZAAZFZOE-UHFFFAOYSA-N -1 3 384.462 0.788 20 0 GCADHM CC(C)(C)OC(=O)COCCOCCNCc1nc(-c2nn[n-]n2)cs1 ZINC001573850835 950279768 /nfs/dbraw/zinc/27/97/68/950279768.db2.gz MTVSWJZAAZFZOE-UHFFFAOYSA-N -1 3 384.462 0.788 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccc(F)cn1 ZINC001574742542 950293240 /nfs/dbraw/zinc/29/32/40/950293240.db2.gz NBDVMSHAGWYZGU-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccc(F)cn1 ZINC001574742542 950293257 /nfs/dbraw/zinc/29/32/57/950293257.db2.gz NBDVMSHAGWYZGU-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CO1 ZINC001573851372 950293330 /nfs/dbraw/zinc/29/33/30/950293330.db2.gz WIBGWIQKOIXJKM-ZJUUUORDSA-N -1 3 377.405 0.813 20 0 GCADHM 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C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1csc(=O)[nH]1 ZINC001574988403 950334811 /nfs/dbraw/zinc/33/48/11/950334811.db2.gz QVSNLDNHWKYWGN-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cncs1 ZINC001574988590 950336629 /nfs/dbraw/zinc/33/66/29/950336629.db2.gz SMLAOTJFOFSAIO-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cncs1 ZINC001574988590 950336647 /nfs/dbraw/zinc/33/66/47/950336647.db2.gz SMLAOTJFOFSAIO-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001573853987 950337220 /nfs/dbraw/zinc/33/72/20/950337220.db2.gz VZPODKDFFSLHOE-LLVKDONJSA-N -1 3 395.445 0.549 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001573853987 950337239 /nfs/dbraw/zinc/33/72/39/950337239.db2.gz VZPODKDFFSLHOE-LLVKDONJSA-N -1 3 395.445 0.549 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001574988492 950340977 /nfs/dbraw/zinc/34/09/77/950340977.db2.gz RXYBLVOVXHRDCZ-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001574988492 950340998 /nfs/dbraw/zinc/34/09/98/950340998.db2.gz RXYBLVOVXHRDCZ-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1nccn1C ZINC001574988671 950342154 /nfs/dbraw/zinc/34/21/54/950342154.db2.gz UFRXFSGAEPQEFB-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1nccn1C ZINC001574988671 950342176 /nfs/dbraw/zinc/34/21/76/950342176.db2.gz UFRXFSGAEPQEFB-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001573854255 950343043 /nfs/dbraw/zinc/34/30/43/950343043.db2.gz XXWGSFDYHHRQHN-ZIAGYGMSSA-N -1 3 388.428 0.967 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001573854255 950343066 /nfs/dbraw/zinc/34/30/66/950343066.db2.gz XXWGSFDYHHRQHN-ZIAGYGMSSA-N -1 3 388.428 0.967 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001576194378 950343450 /nfs/dbraw/zinc/34/34/50/950343450.db2.gz ZQDOPGQLKKQCDV-CMPLNLGQSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001576194378 950343469 /nfs/dbraw/zinc/34/34/69/950343469.db2.gz ZQDOPGQLKKQCDV-CMPLNLGQSA-N -1 3 383.416 0.446 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1=O ZINC001573854674 950346371 /nfs/dbraw/zinc/34/63/71/950346371.db2.gz BLNCAFBGGWVJSE-AWEZNQCLSA-N -1 3 386.460 0.352 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1=O ZINC001573854674 950346389 /nfs/dbraw/zinc/34/63/89/950346389.db2.gz BLNCAFBGGWVJSE-AWEZNQCLSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576194481 950346468 /nfs/dbraw/zinc/34/64/68/950346468.db2.gz ZHADCLONMFNPMU-WDEREUQCSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576194481 950346487 /nfs/dbraw/zinc/34/64/87/950346487.db2.gz ZHADCLONMFNPMU-WDEREUQCSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574744226 950347058 /nfs/dbraw/zinc/34/70/58/950347058.db2.gz XYVOAKJDFKLCKV-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574744226 950347077 /nfs/dbraw/zinc/34/70/77/950347077.db2.gz XYVOAKJDFKLCKV-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC001573854724 950348233 /nfs/dbraw/zinc/34/82/33/950348233.db2.gz DOWMABZOXJOPNO-AWEZNQCLSA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC001573854724 950348254 /nfs/dbraw/zinc/34/82/54/950348254.db2.gz DOWMABZOXJOPNO-AWEZNQCLSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001574988807 950349283 /nfs/dbraw/zinc/34/92/83/950349283.db2.gz VKECQGYJXYFLOF-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001574988807 950349302 /nfs/dbraw/zinc/34/93/02/950349302.db2.gz VKECQGYJXYFLOF-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1c(F)cncc1F ZINC001574988798 950349672 /nfs/dbraw/zinc/34/96/72/950349672.db2.gz VDWFFRSPYAELSD-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1c(F)cncc1F ZINC001574988798 950349696 /nfs/dbraw/zinc/34/96/96/950349696.db2.gz VDWFFRSPYAELSD-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001573854899 950350349 /nfs/dbraw/zinc/35/03/49/950350349.db2.gz GXSZIVWEHNQYBN-ZCDTZLGTSA-N -1 3 385.472 1.000 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001573854899 950350365 /nfs/dbraw/zinc/35/03/65/950350365.db2.gz GXSZIVWEHNQYBN-ZCDTZLGTSA-N -1 3 385.472 1.000 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1c[nH]nc1C1CC1 ZINC001574988966 950352847 /nfs/dbraw/zinc/35/28/47/950352847.db2.gz WVCFLAHIOIMCEQ-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1c[nH]nc1C1CC1 ZINC001574988966 950352861 /nfs/dbraw/zinc/35/28/61/950352861.db2.gz WVCFLAHIOIMCEQ-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574744451 950353380 /nfs/dbraw/zinc/35/33/80/950353380.db2.gz YOGUUKYIKMCYOF-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574744451 950353401 /nfs/dbraw/zinc/35/34/01/950353401.db2.gz YOGUUKYIKMCYOF-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574744450 950355338 /nfs/dbraw/zinc/35/53/38/950355338.db2.gz YOGUUKYIKMCYOF-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574744450 950355355 /nfs/dbraw/zinc/35/53/55/950355355.db2.gz YOGUUKYIKMCYOF-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cn(C)nn1 ZINC001574161508 950361259 /nfs/dbraw/zinc/36/12/59/950361259.db2.gz VOTIRUONRUWMJQ-NSHDSACASA-N -1 3 388.411 0.786 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cn(C)nn1 ZINC001574161508 950361271 /nfs/dbraw/zinc/36/12/71/950361271.db2.gz VOTIRUONRUWMJQ-NSHDSACASA-N -1 3 388.411 0.786 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574502236 950366012 /nfs/dbraw/zinc/36/60/12/950366012.db2.gz KWRNNZSYMAYEAJ-LBPRGKRZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574502236 950366034 /nfs/dbraw/zinc/36/60/34/950366034.db2.gz KWRNNZSYMAYEAJ-LBPRGKRZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908381 950366203 /nfs/dbraw/zinc/36/62/03/950366203.db2.gz BNLZXJVUKZJPPV-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908381 950366219 /nfs/dbraw/zinc/36/62/19/950366219.db2.gz BNLZXJVUKZJPPV-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574502228 950366832 /nfs/dbraw/zinc/36/68/32/950366832.db2.gz KQLZGSDEZPUJNJ-STQMWFEESA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)CCOC1 ZINC001575596016 950367082 /nfs/dbraw/zinc/36/70/82/950367082.db2.gz RLHGVSYIXJGBLR-SJKOYZFVSA-N -1 3 392.485 0.672 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573855357 950370757 /nfs/dbraw/zinc/37/07/57/950370757.db2.gz RNWKAHPGBZFKSR-CYBMUJFWSA-N -1 3 388.476 0.550 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001574990387 950371467 /nfs/dbraw/zinc/37/14/67/950371467.db2.gz BDKHVAANJXAKBE-SNVBAGLBSA-N -1 3 385.432 0.141 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001574990387 950371487 /nfs/dbraw/zinc/37/14/87/950371487.db2.gz BDKHVAANJXAKBE-SNVBAGLBSA-N -1 3 385.432 0.141 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575596344 950372150 /nfs/dbraw/zinc/37/21/50/950372150.db2.gz CWEIPBFGNFSSSH-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575596344 950372170 /nfs/dbraw/zinc/37/21/70/950372170.db2.gz CWEIPBFGNFSSSH-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574990425 950372870 /nfs/dbraw/zinc/37/28/70/950372870.db2.gz BYNGWQOBKGGEQY-JQWIXIFHSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574990425 950372895 /nfs/dbraw/zinc/37/28/95/950372895.db2.gz BYNGWQOBKGGEQY-JQWIXIFHSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574162084 950372904 /nfs/dbraw/zinc/37/29/04/950372904.db2.gz YXISLQYUHJDCAN-CHWSQXEVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574162084 950372923 /nfs/dbraw/zinc/37/29/23/950372923.db2.gz YXISLQYUHJDCAN-CHWSQXEVSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)c1cc(Cl)c(=O)[nH]n1 ZINC001574990652 950379934 /nfs/dbraw/zinc/37/99/34/950379934.db2.gz DXVAOAKSTHPCKY-ZETCQYMHSA-N -1 3 377.796 0.599 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)c1cc(Cl)c(=O)[nH]n1 ZINC001574990652 950379954 /nfs/dbraw/zinc/37/99/54/950379954.db2.gz DXVAOAKSTHPCKY-ZETCQYMHSA-N -1 3 377.796 0.599 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574745332 950381389 /nfs/dbraw/zinc/38/13/89/950381389.db2.gz IIMZKHSWOUGIKX-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574745332 950381412 /nfs/dbraw/zinc/38/14/12/950381412.db2.gz IIMZKHSWOUGIKX-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909053 950386734 /nfs/dbraw/zinc/38/67/34/950386734.db2.gz FNUZGHIYQHDLPL-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909053 950386756 /nfs/dbraw/zinc/38/67/56/950386756.db2.gz FNUZGHIYQHDLPL-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001574745824 950387437 /nfs/dbraw/zinc/38/74/37/950387437.db2.gz KVQOEPHCWHKTPR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001574745824 950387456 /nfs/dbraw/zinc/38/74/56/950387456.db2.gz KVQOEPHCWHKTPR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574502699 950389894 /nfs/dbraw/zinc/38/98/94/950389894.db2.gz QKAZAODNNYAQTD-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574502699 950389915 /nfs/dbraw/zinc/38/99/15/950389915.db2.gz QKAZAODNNYAQTD-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573856532 950390935 /nfs/dbraw/zinc/39/09/35/950390935.db2.gz BQSKLAKVDBDBQC-CHWSQXEVSA-N -1 3 392.391 0.716 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573856532 950390964 /nfs/dbraw/zinc/39/09/64/950390964.db2.gz BQSKLAKVDBDBQC-CHWSQXEVSA-N -1 3 392.391 0.716 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575596952 950391607 /nfs/dbraw/zinc/39/16/07/950391607.db2.gz KBMKLUKAMDMYQB-SRBZOADZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575596952 950391631 /nfs/dbraw/zinc/39/16/31/950391631.db2.gz KBMKLUKAMDMYQB-SRBZOADZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC001575596912 950394267 /nfs/dbraw/zinc/39/42/67/950394267.db2.gz WAZCVMQXLLOMSI-VQIMIIECSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001575596912 950394285 /nfs/dbraw/zinc/39/42/85/950394285.db2.gz WAZCVMQXLLOMSI-VQIMIIECSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574502850 950396384 /nfs/dbraw/zinc/39/63/84/950396384.db2.gz RCCYQYRXQPQIAM-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574502850 950396405 /nfs/dbraw/zinc/39/64/05/950396405.db2.gz RCCYQYRXQPQIAM-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574502875 950397229 /nfs/dbraw/zinc/39/72/29/950397229.db2.gz RJFMGMWHVKLTCU-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574991343 950398580 /nfs/dbraw/zinc/39/85/80/950398580.db2.gz KMAATGOCMFFSAQ-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574991343 950398607 /nfs/dbraw/zinc/39/86/07/950398607.db2.gz KMAATGOCMFFSAQ-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CC(=O)NCC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574503291 950404201 /nfs/dbraw/zinc/40/42/01/950404201.db2.gz UFCFIONVMAPRKJ-SNVBAGLBSA-N -1 3 390.423 0.001 20 0 GCADHM C[C@H](CC(=O)NCC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574503291 950404213 /nfs/dbraw/zinc/40/42/13/950404213.db2.gz UFCFIONVMAPRKJ-SNVBAGLBSA-N -1 3 390.423 0.001 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2c2ncc(-c3nnn[n-]3)cc2F)CCC1 ZINC001575597192 950404325 /nfs/dbraw/zinc/40/43/25/950404325.db2.gz YEABKQQSAXZSSF-LBPRGKRZSA-N -1 3 375.408 0.912 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2c2ncc(-c3nn[n-]n3)cc2F)CCC1 ZINC001575597192 950404336 /nfs/dbraw/zinc/40/43/36/950404336.db2.gz YEABKQQSAXZSSF-LBPRGKRZSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCn1cc(Cl)cn1 ZINC001574991477 950404388 /nfs/dbraw/zinc/40/43/88/950404388.db2.gz MINAYJPNPWUOTG-VIFPVBQESA-N -1 3 391.823 0.370 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCn1cc(Cl)cn1 ZINC001574991477 950404417 /nfs/dbraw/zinc/40/44/17/950404417.db2.gz MINAYJPNPWUOTG-VIFPVBQESA-N -1 3 391.823 0.370 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574747217 950405479 /nfs/dbraw/zinc/40/54/79/950405479.db2.gz SIFFCULTKUZQEZ-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574747217 950405495 /nfs/dbraw/zinc/40/54/95/950405495.db2.gz SIFFCULTKUZQEZ-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574747562 950407664 /nfs/dbraw/zinc/40/76/64/950407664.db2.gz UDXGABVYLDRNCK-QMMMGPOBSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574747562 950407678 /nfs/dbraw/zinc/40/76/78/950407678.db2.gz UDXGABVYLDRNCK-QMMMGPOBSA-N -1 3 387.379 0.400 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001573857757 950413932 /nfs/dbraw/zinc/41/39/32/950413932.db2.gz ZQIRBMBYTOZARA-OLZOCXBDSA-N -1 3 390.400 0.567 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001573857757 950413941 /nfs/dbraw/zinc/41/39/41/950413941.db2.gz ZQIRBMBYTOZARA-OLZOCXBDSA-N -1 3 390.400 0.567 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1cc2n(n1)CCCC2 ZINC001574991672 950418585 /nfs/dbraw/zinc/41/85/85/950418585.db2.gz QWWVTQCSGJUJLH-GFCCVEGCSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1cc2n(n1)CCCC2 ZINC001574991672 950418598 /nfs/dbraw/zinc/41/85/98/950418598.db2.gz QWWVTQCSGJUJLH-GFCCVEGCSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1Cc2ccncc2C1 ZINC001574991678 950419396 /nfs/dbraw/zinc/41/93/96/950419396.db2.gz QYARPCYTQJJJNI-CMPLNLGQSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1Cc2ccncc2C1 ZINC001574991678 950419405 /nfs/dbraw/zinc/41/94/05/950419405.db2.gz QYARPCYTQJJJNI-CMPLNLGQSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1ncnn1C(C)(C)C ZINC001574747838 950420646 /nfs/dbraw/zinc/42/06/46/950420646.db2.gz YTNMJJDUHFKVCQ-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1ncnn1C(C)(C)C ZINC001574747838 950420658 /nfs/dbraw/zinc/42/06/58/950420658.db2.gz YTNMJJDUHFKVCQ-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2cc(-c3nnn[n-]3)cnn2)C1 ZINC001573860359 950421173 /nfs/dbraw/zinc/42/11/73/950421173.db2.gz HLZSKWJPUCNPOQ-MRXNPFEDSA-N -1 3 376.421 0.513 20 0 GCADHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2cc(-c3nn[n-]n3)cnn2)C1 ZINC001573860359 950421186 /nfs/dbraw/zinc/42/11/86/950421186.db2.gz HLZSKWJPUCNPOQ-MRXNPFEDSA-N -1 3 376.421 0.513 20 0 GCADHM C[C@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575910608 950424743 /nfs/dbraw/zinc/42/47/43/950424743.db2.gz MFOTYZBNQFAIAN-GXSJLCMTSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575910608 950424754 /nfs/dbraw/zinc/42/47/54/950424754.db2.gz MFOTYZBNQFAIAN-GXSJLCMTSA-N -1 3 383.416 0.848 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H]1CN(c2nnccc2-c2nnn[n-]2)CCCO1 ZINC001573860712 950432160 /nfs/dbraw/zinc/43/21/60/950432160.db2.gz MTRYCDUFKUZICN-NSHDSACASA-N -1 3 376.421 0.777 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H]1CN(c2nnccc2-c2nn[n-]n2)CCCO1 ZINC001573860712 950432176 /nfs/dbraw/zinc/43/21/76/950432176.db2.gz MTRYCDUFKUZICN-NSHDSACASA-N -1 3 376.421 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574506406 950433461 /nfs/dbraw/zinc/43/34/61/950433461.db2.gz CPCWZOKJPQNIHU-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574506406 950433470 /nfs/dbraw/zinc/43/34/70/950433470.db2.gz CPCWZOKJPQNIHU-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccnn1C ZINC001574750594 950435098 /nfs/dbraw/zinc/43/50/98/950435098.db2.gz DFZJVZKZRNLWJY-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccnn1C ZINC001574750594 950435114 /nfs/dbraw/zinc/43/51/14/950435114.db2.gz DFZJVZKZRNLWJY-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1ccccc1F ZINC001574992224 950439684 /nfs/dbraw/zinc/43/96/84/950439684.db2.gz YYFXPRQDIDPQFH-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1ccccc1F ZINC001574992224 950439695 /nfs/dbraw/zinc/43/96/95/950439695.db2.gz YYFXPRQDIDPQFH-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001573861097 950441847 /nfs/dbraw/zinc/44/18/47/950441847.db2.gz SQNUNRJDRVOZLW-KBPBESRZSA-N -1 3 388.428 0.856 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001573861097 950441858 /nfs/dbraw/zinc/44/18/58/950441858.db2.gz SQNUNRJDRVOZLW-KBPBESRZSA-N -1 3 388.428 0.856 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnn1C(F)F ZINC001574992403 950444862 /nfs/dbraw/zinc/44/48/62/950444862.db2.gz BOCXGHQFKCZQGN-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnn1C(F)F ZINC001574992403 950444874 /nfs/dbraw/zinc/44/48/74/950444874.db2.gz BOCXGHQFKCZQGN-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574165339 950445511 /nfs/dbraw/zinc/44/55/11/950445511.db2.gz DFFXTWALHWQYDS-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c(C2CC2)cnn1C ZINC001574992380 950445291 /nfs/dbraw/zinc/44/52/91/950445291.db2.gz BBWSIAZBQLXBGK-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c(C2CC2)cnn1C ZINC001574992380 950445314 /nfs/dbraw/zinc/44/53/14/950445314.db2.gz BBWSIAZBQLXBGK-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574165339 950445534 /nfs/dbraw/zinc/44/55/34/950445534.db2.gz DFFXTWALHWQYDS-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574507180 950448730 /nfs/dbraw/zinc/44/87/30/950448730.db2.gz FPRQGENAUOMORZ-JTQLQIEISA-N -1 3 378.412 0.001 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncc(Cl)s1 ZINC001574992464 950451774 /nfs/dbraw/zinc/45/17/74/950451774.db2.gz CVXKIQZNSSJMHV-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncc(Cl)s1 ZINC001574992464 950451785 /nfs/dbraw/zinc/45/17/85/950451785.db2.gz CVXKIQZNSSJMHV-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575911720 950452516 /nfs/dbraw/zinc/45/25/16/950452516.db2.gz PMUFQYBOZXBDLL-GXTWGEPZSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575911720 950452526 /nfs/dbraw/zinc/45/25/26/950452526.db2.gz PMUFQYBOZXBDLL-GXTWGEPZSA-N -1 3 382.432 0.735 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)CC(F)(F)C1 ZINC001575605013 950455807 /nfs/dbraw/zinc/45/58/07/950455807.db2.gz KHOCUPJQXAUBMX-VXGBXAGGSA-N -1 3 379.371 0.363 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)CC(F)(F)C1 ZINC001575605013 950455826 /nfs/dbraw/zinc/45/58/26/950455826.db2.gz KHOCUPJQXAUBMX-VXGBXAGGSA-N -1 3 379.371 0.363 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574992996 950459244 /nfs/dbraw/zinc/45/92/44/950459244.db2.gz IBMPXEAOMIPKGI-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574992996 950459259 /nfs/dbraw/zinc/45/92/59/950459259.db2.gz IBMPXEAOMIPKGI-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn2c1CCCC2 ZINC001574993096 950460087 /nfs/dbraw/zinc/46/00/87/950460087.db2.gz IUMOTPQYUVZVPN-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn2c1CCCC2 ZINC001574993096 950460104 /nfs/dbraw/zinc/46/01/04/950460104.db2.gz IUMOTPQYUVZVPN-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1(C)CCOCC1 ZINC001574751646 950461393 /nfs/dbraw/zinc/46/13/93/950461393.db2.gz PTQUYKOYELDNLA-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1(C)CCOCC1 ZINC001574751646 950461401 /nfs/dbraw/zinc/46/14/01/950461401.db2.gz PTQUYKOYELDNLA-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574993530 950462021 /nfs/dbraw/zinc/46/20/21/950462021.db2.gz KUJFUIYVMLOKTC-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574993530 950462038 /nfs/dbraw/zinc/46/20/38/950462038.db2.gz KUJFUIYVMLOKTC-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001574166395 950463190 /nfs/dbraw/zinc/46/31/90/950463190.db2.gz QINWEUVYIIGMBE-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001574166395 950463204 /nfs/dbraw/zinc/46/32/04/950463204.db2.gz QINWEUVYIIGMBE-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C[C@@H]2O)CCOC1 ZINC001575605409 950464049 /nfs/dbraw/zinc/46/40/49/950464049.db2.gz NJMYDZXCZUZHBM-VKJFTORMSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cncn1C ZINC001575912571 950465061 /nfs/dbraw/zinc/46/50/61/950465061.db2.gz HHCKWNNXAJROPM-DGCLKSJQSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574751960 950467845 /nfs/dbraw/zinc/46/78/45/950467845.db2.gz SCTUSUZTPFFGNW-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574751960 950467862 /nfs/dbraw/zinc/46/78/62/950467862.db2.gz SCTUSUZTPFFGNW-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575912631 950468237 /nfs/dbraw/zinc/46/82/37/950468237.db2.gz HVVTUHGOXLVWKY-KOLCDFICSA-N -1 3 380.416 0.972 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574993866 950471186 /nfs/dbraw/zinc/47/11/86/950471186.db2.gz MSNMDPJSCRJHNX-DDTOSNHZSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574993866 950471194 /nfs/dbraw/zinc/47/11/94/950471194.db2.gz MSNMDPJSCRJHNX-DDTOSNHZSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574993879 950472402 /nfs/dbraw/zinc/47/24/02/950472402.db2.gz MTMWLBLQWKWVSY-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574993879 950472410 /nfs/dbraw/zinc/47/24/10/950472410.db2.gz MTMWLBLQWKWVSY-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H]1[C@@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575913010 950473248 /nfs/dbraw/zinc/47/32/48/950473248.db2.gz SMZPWPZQTPIOOD-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575913010 950473267 /nfs/dbraw/zinc/47/32/67/950473267.db2.gz SMZPWPZQTPIOOD-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM CC(C)(C)OCC(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573863449 950481281 /nfs/dbraw/zinc/48/12/81/950481281.db2.gz IRNVPQIJOKHZMV-UHFFFAOYSA-N -1 3 381.412 0.449 20 0 GCADHM CC(C)(C)OCC(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573863449 950481294 /nfs/dbraw/zinc/48/12/94/950481294.db2.gz IRNVPQIJOKHZMV-UHFFFAOYSA-N -1 3 381.412 0.449 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccccc1N(C)C ZINC001574994333 950482160 /nfs/dbraw/zinc/48/21/60/950482160.db2.gz QJXBYSTWTQLUTE-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccccc1N(C)C ZINC001574994333 950482175 /nfs/dbraw/zinc/48/21/75/950482175.db2.gz QJXBYSTWTQLUTE-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ocnc1C(F)F ZINC001574994506 950484441 /nfs/dbraw/zinc/48/44/41/950484441.db2.gz SDAQYLRRZUCMTK-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ocnc1C(F)F ZINC001574994506 950484450 /nfs/dbraw/zinc/48/44/50/950484450.db2.gz SDAQYLRRZUCMTK-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574994511 950484695 /nfs/dbraw/zinc/48/46/95/950484695.db2.gz SFOZTQUJVAKNLL-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574994511 950484700 /nfs/dbraw/zinc/48/47/00/950484700.db2.gz SFOZTQUJVAKNLL-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574994557 950485196 /nfs/dbraw/zinc/48/51/96/950485196.db2.gz UGMIFEAUEGDNLE-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2n(n1)CCCC2 ZINC001574994557 950485212 /nfs/dbraw/zinc/48/52/12/950485212.db2.gz UGMIFEAUEGDNLE-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574752433 950486798 /nfs/dbraw/zinc/48/67/98/950486798.db2.gz WPTZWBLEJQLGMU-VXGBXAGGSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574752433 950486815 /nfs/dbraw/zinc/48/68/15/950486815.db2.gz WPTZWBLEJQLGMU-VXGBXAGGSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC001574994569 950487963 /nfs/dbraw/zinc/48/79/63/950487963.db2.gz USVSMWWZYCTJJE-OTYXRUKQSA-N -1 3 386.391 0.268 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC001574994569 950487980 /nfs/dbraw/zinc/48/79/80/950487980.db2.gz USVSMWWZYCTJJE-OTYXRUKQSA-N -1 3 386.391 0.268 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ncccc1-c1nnn[n-]1 ZINC001574752576 950492540 /nfs/dbraw/zinc/49/25/40/950492540.db2.gz DCZHLLZIDFHYBQ-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ncccc1-c1nn[n-]n1 ZINC001574752576 950492547 /nfs/dbraw/zinc/49/25/47/950492547.db2.gz DCZHLLZIDFHYBQ-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574994736 950493757 /nfs/dbraw/zinc/49/37/57/950493757.db2.gz XYFXYXFOPUYTNK-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574994736 950493765 /nfs/dbraw/zinc/49/37/65/950493765.db2.gz XYFXYXFOPUYTNK-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM CC(C)[C@@H](CCNC(=O)C[C@H](C)NC(N)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574509066 950494745 /nfs/dbraw/zinc/49/47/45/950494745.db2.gz OUHLAGZOPHWCIR-WCQYABFASA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)[C@@H](CCNC(=O)C[C@H](C)NC(N)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574509066 950494754 /nfs/dbraw/zinc/49/47/54/950494754.db2.gz OUHLAGZOPHWCIR-WCQYABFASA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575914527 950497160 /nfs/dbraw/zinc/49/71/60/950497160.db2.gz LHJWSACALFWBFM-RISCZKNCSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575914527 950497174 /nfs/dbraw/zinc/49/71/74/950497174.db2.gz LHJWSACALFWBFM-RISCZKNCSA-N -1 3 384.444 0.531 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573866381 950497407 /nfs/dbraw/zinc/49/74/07/950497407.db2.gz AFQMVZRHRBQZHB-ZDUSSCGKSA-N -1 3 375.433 0.716 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573866381 950497422 /nfs/dbraw/zinc/49/74/22/950497422.db2.gz AFQMVZRHRBQZHB-ZDUSSCGKSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1ncnn1CCF ZINC001574752872 950499614 /nfs/dbraw/zinc/49/96/14/950499614.db2.gz BNVLXGKMECNPFO-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM CC1CCN(CC(=O)NC[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576205232 950502622 /nfs/dbraw/zinc/50/26/22/950502622.db2.gz HPABJPGSCBZFTM-AWEZNQCLSA-N -1 3 385.476 0.331 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574509307 950503468 /nfs/dbraw/zinc/50/34/68/950503468.db2.gz QCHSMWQEOYOTIX-JTQLQIEISA-N -1 3 378.412 0.001 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574509307 950503483 /nfs/dbraw/zinc/50/34/83/950503483.db2.gz QCHSMWQEOYOTIX-JTQLQIEISA-N -1 3 378.412 0.001 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(O)(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573866562 950504564 /nfs/dbraw/zinc/50/45/64/950504564.db2.gz HQFMLVMSRCZYBO-UHFFFAOYSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(O)(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573866562 950504579 /nfs/dbraw/zinc/50/45/79/950504579.db2.gz HQFMLVMSRCZYBO-UHFFFAOYSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573866522 950505099 /nfs/dbraw/zinc/50/50/99/950505099.db2.gz FYBFOIJWHJNBNK-UHFFFAOYSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573866522 950505122 /nfs/dbraw/zinc/50/51/22/950505122.db2.gz FYBFOIJWHJNBNK-UHFFFAOYSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)CCC(=O)N(C)CCN1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574168287 950505681 /nfs/dbraw/zinc/50/56/81/950505681.db2.gz RKIIRCVUEHHKRF-UHFFFAOYSA-N -1 3 387.492 0.673 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccc(N(C)C)c1 ZINC001574995376 950507214 /nfs/dbraw/zinc/50/72/14/950507214.db2.gz ZFYYUZAXYIKYIN-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccc(N(C)C)c1 ZINC001574995376 950507230 /nfs/dbraw/zinc/50/72/30/950507230.db2.gz ZFYYUZAXYIKYIN-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575607614 950509045 /nfs/dbraw/zinc/50/90/45/950509045.db2.gz LNKMROOIULHNEJ-FNFWKMNBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575607614 950509065 /nfs/dbraw/zinc/50/90/65/950509065.db2.gz LNKMROOIULHNEJ-FNFWKMNBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CC(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)n1ccnc1 ZINC001574509363 950509593 /nfs/dbraw/zinc/50/95/93/950509593.db2.gz RQGKGFDOBGANLT-GFCCVEGCSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574753017 950510438 /nfs/dbraw/zinc/51/04/38/950510438.db2.gz IHIKYWRRUZCCBV-QMMMGPOBSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574753017 950510444 /nfs/dbraw/zinc/51/04/44/950510444.db2.gz IHIKYWRRUZCCBV-QMMMGPOBSA-N -1 3 387.379 0.400 20 0 GCADHM CC1CCN(CC(=O)NCC2(Nc3cncc(-c4nnn[n-]4)n3)CCC2)CC1 ZINC001576205493 950519145 /nfs/dbraw/zinc/51/91/45/950519145.db2.gz JTYQXQSCMHIFQB-UHFFFAOYSA-N -1 3 385.476 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574995992 950520657 /nfs/dbraw/zinc/52/06/57/950520657.db2.gz JFRLHQFOIPFEEB-QMMMGPOBSA-N -1 3 382.388 0.260 20 0 GCADHM C[C@@H](CC(=O)NCCN(Cc1ccc(-c2nnn[n-]2)s1)C1CC1)NC(N)=O ZINC001574509602 950520974 /nfs/dbraw/zinc/52/09/74/950520974.db2.gz SRRVLBPEBCQDLO-JTQLQIEISA-N -1 3 392.489 0.456 20 0 GCADHM CC1CCN(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576205537 950522289 /nfs/dbraw/zinc/52/22/89/950522289.db2.gz ZTTVSNIVVKLANW-CQSZACIVSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H]1CCN(CC(=O)N[C@@](C)(CNc2ccnc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576205500 950524341 /nfs/dbraw/zinc/52/43/41/950524341.db2.gz ZERAYMIEJTYUJL-XIKOKIGWSA-N -1 3 385.476 0.117 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)C(=O)NCC(F)F ZINC001575915835 950525788 /nfs/dbraw/zinc/52/57/88/950525788.db2.gz XJBBCZHOKIBTIX-WCBMZHEXSA-N -1 3 380.359 0.044 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)C(=O)NCC(F)F ZINC001575915835 950525799 /nfs/dbraw/zinc/52/57/99/950525799.db2.gz XJBBCZHOKIBTIX-WCBMZHEXSA-N -1 3 380.359 0.044 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nnc(C2CCC2)n1C ZINC001574996677 950529599 /nfs/dbraw/zinc/52/95/99/950529599.db2.gz ODIGCKHQTUUPLY-SNVBAGLBSA-N -1 3 384.448 0.499 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nnc(C2CCC2)n1C ZINC001574996677 950529617 /nfs/dbraw/zinc/52/96/17/950529617.db2.gz ODIGCKHQTUUPLY-SNVBAGLBSA-N -1 3 384.448 0.499 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nnc(C2CCC2)n1C ZINC001574996676 950531216 /nfs/dbraw/zinc/53/12/16/950531216.db2.gz ODIGCKHQTUUPLY-JTQLQIEISA-N -1 3 384.448 0.499 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nnc(C2CCC2)n1C ZINC001574996676 950531230 /nfs/dbraw/zinc/53/12/30/950531230.db2.gz ODIGCKHQTUUPLY-JTQLQIEISA-N -1 3 384.448 0.499 20 0 GCADHM C[C@@H]1[C@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575916372 950534008 /nfs/dbraw/zinc/53/40/08/950534008.db2.gz YWRRLNMNWAJXPX-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575916372 950534028 /nfs/dbraw/zinc/53/40/28/950534028.db2.gz YWRRLNMNWAJXPX-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916397 950534780 /nfs/dbraw/zinc/53/47/80/950534780.db2.gz ZCBAERHWPGPICJ-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916397 950534798 /nfs/dbraw/zinc/53/47/98/950534798.db2.gz ZCBAERHWPGPICJ-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574753674 950535547 /nfs/dbraw/zinc/53/55/47/950535547.db2.gz GWXFCQVINXIRTE-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574753674 950535563 /nfs/dbraw/zinc/53/55/63/950535563.db2.gz GWXFCQVINXIRTE-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573868564 950541171 /nfs/dbraw/zinc/54/11/71/950541171.db2.gz DKQXYTVQCMSNDA-GOSISDBHSA-N -1 3 389.460 0.524 20 0 GCADHM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573868564 950541191 /nfs/dbraw/zinc/54/11/91/950541191.db2.gz DKQXYTVQCMSNDA-GOSISDBHSA-N -1 3 389.460 0.524 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575916565 950541697 /nfs/dbraw/zinc/54/16/97/950541697.db2.gz QLJWJNPMEJUSPN-BXKDBHETSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575916565 950541712 /nfs/dbraw/zinc/54/17/12/950541712.db2.gz QLJWJNPMEJUSPN-BXKDBHETSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Br)n[nH]1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574997313 950543584 /nfs/dbraw/zinc/54/35/84/950543584.db2.gz SXNGJKHVQQDZGK-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575614599 950543411 /nfs/dbraw/zinc/54/34/11/950543411.db2.gz JMBQYLZRDJWNTG-BKTMZONDSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575614599 950543432 /nfs/dbraw/zinc/54/34/32/950543432.db2.gz JMBQYLZRDJWNTG-BKTMZONDSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Br)n[nH]1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574997313 950543602 /nfs/dbraw/zinc/54/36/02/950543602.db2.gz SXNGJKHVQQDZGK-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575614600 950544156 /nfs/dbraw/zinc/54/41/56/950544156.db2.gz JMBQYLZRDJWNTG-MCTLKSGKSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575614600 950544177 /nfs/dbraw/zinc/54/41/77/950544177.db2.gz JMBQYLZRDJWNTG-MCTLKSGKSA-N -1 3 385.428 0.483 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001573868984 950551020 /nfs/dbraw/zinc/55/10/20/950551020.db2.gz ISXQRGXJBOIUAN-SMDDNHRTSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573868984 950551032 /nfs/dbraw/zinc/55/10/32/950551032.db2.gz ISXQRGXJBOIUAN-SMDDNHRTSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ncccc1-c1nnn[n-]1 ZINC001574753880 950550861 /nfs/dbraw/zinc/55/08/61/950550861.db2.gz USAXIBFMSVKFKB-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ncccc1-c1nn[n-]n1 ZINC001574753880 950550877 /nfs/dbraw/zinc/55/08/77/950550877.db2.gz USAXIBFMSVKFKB-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573868966 950551849 /nfs/dbraw/zinc/55/18/49/950551849.db2.gz IRTBNYSEZVMDRK-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573868966 950551859 /nfs/dbraw/zinc/55/18/59/950551859.db2.gz IRTBNYSEZVMDRK-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575916883 950554417 /nfs/dbraw/zinc/55/44/17/950554417.db2.gz SVJQPWYQOFCFHA-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575916883 950554428 /nfs/dbraw/zinc/55/44/28/950554428.db2.gz SVJQPWYQOFCFHA-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574171447 950557886 /nfs/dbraw/zinc/55/78/86/950557886.db2.gz QFCRNYKAMBUYSW-RISCZKNCSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574171447 950557908 /nfs/dbraw/zinc/55/79/08/950557908.db2.gz QFCRNYKAMBUYSW-RISCZKNCSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917186 950558899 /nfs/dbraw/zinc/55/88/99/950558899.db2.gz VADISOUEQRYVRA-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917186 950558917 /nfs/dbraw/zinc/55/89/17/950558917.db2.gz VADISOUEQRYVRA-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)CCNC(=O)C1 ZINC001575614981 950560097 /nfs/dbraw/zinc/56/00/97/950560097.db2.gz XRZSLQRWANFYRN-DBWSCCJJSA-N -1 3 396.455 0.404 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)CCNC(=O)C1 ZINC001575614981 950560116 /nfs/dbraw/zinc/56/01/16/950560116.db2.gz XRZSLQRWANFYRN-DBWSCCJJSA-N -1 3 396.455 0.404 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575917204 950560867 /nfs/dbraw/zinc/56/08/67/950560867.db2.gz VHZKYZYAHLZILC-CMPLNLGQSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575917204 950560880 /nfs/dbraw/zinc/56/08/80/950560880.db2.gz VHZKYZYAHLZILC-CMPLNLGQSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574998807 950561102 /nfs/dbraw/zinc/56/11/02/950561102.db2.gz AMJHXURAOLAKFN-SNVBAGLBSA-N -1 3 386.420 0.184 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574998836 950561520 /nfs/dbraw/zinc/56/15/20/950561520.db2.gz BHPLLMZIDZKURE-SSDOTTSWSA-N -1 3 390.404 0.792 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574998836 950561535 /nfs/dbraw/zinc/56/15/35/950561535.db2.gz BHPLLMZIDZKURE-SSDOTTSWSA-N -1 3 390.404 0.792 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573869427 950564786 /nfs/dbraw/zinc/56/47/86/950564786.db2.gz PNZQFCBPUCDTSS-DYEKYZERSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573869427 950564806 /nfs/dbraw/zinc/56/48/06/950564806.db2.gz PNZQFCBPUCDTSS-DYEKYZERSA-N -1 3 387.444 0.872 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574511575 950565611 /nfs/dbraw/zinc/56/56/11/950565611.db2.gz MLZFZUMKKGMUOZ-GBOPCIDUSA-N -1 3 394.443 0.730 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574511576 950565979 /nfs/dbraw/zinc/56/59/79/950565979.db2.gz MLZFZUMKKGMUOZ-MXYBEHONSA-N -1 3 394.443 0.730 20 0 GCADHM CC(C)CCC(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCO2 ZINC001574171867 950566870 /nfs/dbraw/zinc/56/68/70/950566870.db2.gz VGNUQNALQAZDDZ-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CCC(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001574171867 950566892 /nfs/dbraw/zinc/56/68/92/950566892.db2.gz VGNUQNALQAZDDZ-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574754392 950566890 /nfs/dbraw/zinc/56/68/90/950566890.db2.gz KRDJYYXYQAVCQQ-SNVBAGLBSA-N -1 3 385.432 0.932 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574754392 950566913 /nfs/dbraw/zinc/56/69/13/950566913.db2.gz KRDJYYXYQAVCQQ-SNVBAGLBSA-N -1 3 385.432 0.932 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cnn(C)c1 ZINC001574754305 950567074 /nfs/dbraw/zinc/56/70/74/950567074.db2.gz KKEDFIXGGTWJFC-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cnn(C)c1 ZINC001574754305 950567092 /nfs/dbraw/zinc/56/70/92/950567092.db2.gz KKEDFIXGGTWJFC-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCN1CCOCC1 ZINC001575917323 950567621 /nfs/dbraw/zinc/56/76/21/950567621.db2.gz WKIHEPUVYCTFDD-UKRRQHHQSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCN1CCOCC1 ZINC001575917323 950567635 /nfs/dbraw/zinc/56/76/35/950567635.db2.gz WKIHEPUVYCTFDD-UKRRQHHQSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)[C@@H](CNC(=O)CN1CCC(C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001576206349 950571330 /nfs/dbraw/zinc/57/13/30/950571330.db2.gz WWGXUXRNWZAJFY-CQSZACIVSA-N -1 3 387.492 0.941 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001573869662 950571732 /nfs/dbraw/zinc/57/17/32/950571732.db2.gz AUATZLVGPKFGFZ-MRXNPFEDSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001573869662 950571754 /nfs/dbraw/zinc/57/17/54/950571754.db2.gz AUATZLVGPKFGFZ-MRXNPFEDSA-N -1 3 388.472 0.999 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574999212 950572889 /nfs/dbraw/zinc/57/28/89/950572889.db2.gz GQWXEAPUGDRLGH-NSHDSACASA-N -1 3 385.432 0.789 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574999212 950572906 /nfs/dbraw/zinc/57/29/06/950572906.db2.gz GQWXEAPUGDRLGH-NSHDSACASA-N -1 3 385.432 0.789 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H](C)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574754559 950573000 /nfs/dbraw/zinc/57/30/00/950573000.db2.gz MQOWQVNFOWQQJX-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H](C)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574754559 950573020 /nfs/dbraw/zinc/57/30/20/950573020.db2.gz MQOWQVNFOWQQJX-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)n1cccc1 ZINC001574511919 950576136 /nfs/dbraw/zinc/57/61/36/950576136.db2.gz WFDRLEAWMCBMKU-DAXOMENPSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)n1cccc1 ZINC001574511919 950576146 /nfs/dbraw/zinc/57/61/46/950576146.db2.gz WFDRLEAWMCBMKU-DAXOMENPSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)n1cccc1 ZINC001574511779 950577625 /nfs/dbraw/zinc/57/76/25/950577625.db2.gz UBPZDSUVNLXLBT-CFVMTHIKSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)n1cccc1 ZINC001574511779 950577646 /nfs/dbraw/zinc/57/76/46/950577646.db2.gz UBPZDSUVNLXLBT-CFVMTHIKSA-N -1 3 382.428 0.380 20 0 GCADHM CC(C)(C)OCC(=O)NCCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573869788 950578362 /nfs/dbraw/zinc/57/83/62/950578362.db2.gz CZKVHPFSPGQLBV-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)NCCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573869788 950578381 /nfs/dbraw/zinc/57/83/81/950578381.db2.gz CZKVHPFSPGQLBV-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001573869958 950580201 /nfs/dbraw/zinc/58/02/01/950580201.db2.gz SMJKZUQAPIOHGK-STQMWFEESA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001573869958 950580221 /nfs/dbraw/zinc/58/02/21/950580221.db2.gz SMJKZUQAPIOHGK-STQMWFEESA-N -1 3 375.433 0.133 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574511969 950580377 /nfs/dbraw/zinc/58/03/77/950580377.db2.gz YEEFSEITVDVQBP-RAIGVLPGSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574511969 950580394 /nfs/dbraw/zinc/58/03/94/950580394.db2.gz YEEFSEITVDVQBP-RAIGVLPGSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nc2ncccn2n1 ZINC001575917542 950580721 /nfs/dbraw/zinc/58/07/21/950580721.db2.gz YXWCLTDCVIFRJJ-JQWIXIFHSA-N -1 3 391.399 0.415 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nc2ncccn2n1 ZINC001575917542 950580732 /nfs/dbraw/zinc/58/07/32/950580732.db2.gz YXWCLTDCVIFRJJ-JQWIXIFHSA-N -1 3 391.399 0.415 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001573869956 950581384 /nfs/dbraw/zinc/58/13/84/950581384.db2.gz SMJKZUQAPIOHGK-OLZOCXBDSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001573869956 950581398 /nfs/dbraw/zinc/58/13/98/950581398.db2.gz SMJKZUQAPIOHGK-OLZOCXBDSA-N -1 3 375.433 0.133 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nc2ncccn2n1 ZINC001575917541 950582355 /nfs/dbraw/zinc/58/23/55/950582355.db2.gz YXWCLTDCVIFRJJ-CMPLNLGQSA-N -1 3 391.399 0.415 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nc2ncccn2n1 ZINC001575917541 950582369 /nfs/dbraw/zinc/58/23/69/950582369.db2.gz YXWCLTDCVIFRJJ-CMPLNLGQSA-N -1 3 391.399 0.415 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573870118 950584615 /nfs/dbraw/zinc/58/46/15/950584615.db2.gz DZSXIRCYWNRSGU-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM 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CC(C)CCC(=O)N1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574175175 950656282 /nfs/dbraw/zinc/65/62/82/950656282.db2.gz YJDZOJYORHJYQM-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574760243 950658777 /nfs/dbraw/zinc/65/87/77/950658777.db2.gz HWTQSSYFHFDIIP-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574760243 950658812 /nfs/dbraw/zinc/65/88/12/950658812.db2.gz HWTQSSYFHFDIIP-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O ZINC001573873708 950659091 /nfs/dbraw/zinc/65/90/91/950659091.db2.gz ZPYADGVPXDHGTB-HUUCEWRRSA-N -1 3 392.435 0.482 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575002310 950659427 /nfs/dbraw/zinc/65/94/27/950659427.db2.gz RWFYCBZUVNYHPP-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575002310 950659439 /nfs/dbraw/zinc/65/94/39/950659439.db2.gz RWFYCBZUVNYHPP-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575002311 950661598 /nfs/dbraw/zinc/66/15/98/950661598.db2.gz RWFYCBZUVNYHPP-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575002311 950661617 /nfs/dbraw/zinc/66/16/17/950661617.db2.gz RWFYCBZUVNYHPP-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM CC1(C)CC(C(=O)N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575624172 950665341 /nfs/dbraw/zinc/66/53/41/950665341.db2.gz HEOUURFYXDYJME-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575624172 950665352 /nfs/dbraw/zinc/66/53/52/950665352.db2.gz HEOUURFYXDYJME-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574519133 950668066 /nfs/dbraw/zinc/66/80/66/950668066.db2.gz BOMBRBREVIWJQH-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574519133 950668090 /nfs/dbraw/zinc/66/80/90/950668090.db2.gz BOMBRBREVIWJQH-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574519128 950669538 /nfs/dbraw/zinc/66/95/38/950669538.db2.gz BJKMHUYOKCJXEF-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574519128 950669547 /nfs/dbraw/zinc/66/95/47/950669547.db2.gz BJKMHUYOKCJXEF-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573876496 950674957 /nfs/dbraw/zinc/67/49/57/950674957.db2.gz OCTBOZZXAYENJI-VXGBXAGGSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573876496 950674968 /nfs/dbraw/zinc/67/49/68/950674968.db2.gz OCTBOZZXAYENJI-VXGBXAGGSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccn2nnnc2c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574760679 950675585 /nfs/dbraw/zinc/67/55/85/950675585.db2.gz XREZBLRQCYVQDL-SNVBAGLBSA-N -1 3 379.388 0.272 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccn2nnnc2c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574760679 950675595 /nfs/dbraw/zinc/67/55/95/950675595.db2.gz XREZBLRQCYVQDL-SNVBAGLBSA-N -1 3 379.388 0.272 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574176436 950676134 /nfs/dbraw/zinc/67/61/34/950676134.db2.gz VYEZDSURMLVMHW-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574176436 950676137 /nfs/dbraw/zinc/67/61/37/950676137.db2.gz VYEZDSURMLVMHW-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573876590 950679058 /nfs/dbraw/zinc/67/90/58/950679058.db2.gz RSQPTNDCJBJZED-CHWSQXEVSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573876590 950679070 /nfs/dbraw/zinc/67/90/70/950679070.db2.gz RSQPTNDCJBJZED-CHWSQXEVSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cncnc1)C1CC1 ZINC001575005382 950681161 /nfs/dbraw/zinc/68/11/61/950681161.db2.gz CQOOUHAIJSQGHW-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cncnc1)C1CC1 ZINC001575005382 950681169 /nfs/dbraw/zinc/68/11/69/950681169.db2.gz CQOOUHAIJSQGHW-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575005339 950682471 /nfs/dbraw/zinc/68/24/71/950682471.db2.gz BJCFWBKQZVQVPR-SFHVURJKSA-N -1 3 385.428 0.556 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001575005339 950682485 /nfs/dbraw/zinc/68/24/85/950682485.db2.gz BJCFWBKQZVQVPR-SFHVURJKSA-N -1 3 385.428 0.556 20 0 GCADHM C[C@H]1[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575925367 950684103 /nfs/dbraw/zinc/68/41/03/950684103.db2.gz UMZLPBHZIIIVTK-GXFFZTMASA-N -1 3 387.419 0.933 20 0 GCADHM C[C@H]1[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575925367 950684119 /nfs/dbraw/zinc/68/41/19/950684119.db2.gz UMZLPBHZIIIVTK-GXFFZTMASA-N -1 3 387.419 0.933 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215295 950692991 /nfs/dbraw/zinc/69/29/91/950692991.db2.gz AKOUDSWNOUALBR-QWRGUYRKSA-N -1 3 382.432 0.038 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cnns1)C1CC1 ZINC001575005603 950694251 /nfs/dbraw/zinc/69/42/51/950694251.db2.gz ISFGLUATYOJJKP-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cnns1)C1CC1 ZINC001575005603 950694262 /nfs/dbraw/zinc/69/42/62/950694262.db2.gz ISFGLUATYOJJKP-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576215365 950696827 /nfs/dbraw/zinc/69/68/27/950696827.db2.gz FREIABWJYVFZSU-ZUZCIYMTSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576215375 950697450 /nfs/dbraw/zinc/69/74/50/950697450.db2.gz ARUIDSGLQSLNDS-PWSUYJOCSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576215375 950697462 /nfs/dbraw/zinc/69/74/62/950697462.db2.gz ARUIDSGLQSLNDS-PWSUYJOCSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575005751 950703556 /nfs/dbraw/zinc/70/35/56/950703556.db2.gz MRCMPJQDKSOEEX-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575005751 950703569 /nfs/dbraw/zinc/70/35/69/950703569.db2.gz MRCMPJQDKSOEEX-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574179603 950709911 /nfs/dbraw/zinc/70/99/11/950709911.db2.gz GNIXTHWWYLHRDX-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574179603 950709925 /nfs/dbraw/zinc/70/99/25/950709925.db2.gz GNIXTHWWYLHRDX-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574520100 950712415 /nfs/dbraw/zinc/71/24/15/950712415.db2.gz LOJHBYPXSKKWGM-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574520100 950712434 /nfs/dbraw/zinc/71/24/34/950712434.db2.gz LOJHBYPXSKKWGM-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575006241 950716962 /nfs/dbraw/zinc/71/69/62/950716962.db2.gz UBMVXZHKWZGUOK-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575006241 950716986 /nfs/dbraw/zinc/71/69/86/950716986.db2.gz UBMVXZHKWZGUOK-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cnsn1)C1CC1 ZINC001575006266 950720967 /nfs/dbraw/zinc/72/09/67/950720967.db2.gz ULULZVZHHJZSLS-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cnsn1)C1CC1 ZINC001575006266 950720977 /nfs/dbraw/zinc/72/09/77/950720977.db2.gz ULULZVZHHJZSLS-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)[nH]n1 ZINC001573879422 950723659 /nfs/dbraw/zinc/72/36/59/950723659.db2.gz BNXWEVCXCNSXRE-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)[nH]n1 ZINC001573879422 950723676 /nfs/dbraw/zinc/72/36/76/950723676.db2.gz BNXWEVCXCNSXRE-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)C1 ZINC001575628824 950727138 /nfs/dbraw/zinc/72/71/38/950727138.db2.gz HVXFEQFCHIXAKT-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)C1 ZINC001575628824 950727157 /nfs/dbraw/zinc/72/71/57/950727157.db2.gz HVXFEQFCHIXAKT-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)n1ccnc1 ZINC001574520353 950727325 /nfs/dbraw/zinc/72/73/25/950727325.db2.gz QINRHMLDPUCDDE-YMEQNVIZSA-N -1 3 380.416 0.055 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)n1ccnc1 ZINC001574520353 950727339 /nfs/dbraw/zinc/72/73/39/950727339.db2.gz QINRHMLDPUCDDE-YMEQNVIZSA-N -1 3 380.416 0.055 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575006955 950728885 /nfs/dbraw/zinc/72/88/85/950728885.db2.gz YZDBOALKBVUPET-QGZVFWFLSA-N -1 3 387.400 0.098 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575006955 950728900 /nfs/dbraw/zinc/72/89/00/950728900.db2.gz YZDBOALKBVUPET-QGZVFWFLSA-N -1 3 387.400 0.098 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574520388 950729737 /nfs/dbraw/zinc/72/97/37/950729737.db2.gz QVRWYCHFKCZTGX-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574520388 950729751 /nfs/dbraw/zinc/72/97/51/950729751.db2.gz QVRWYCHFKCZTGX-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001576216361 950733380 /nfs/dbraw/zinc/73/33/80/950733380.db2.gz HVMJAKCXPYPCCM-MEDUHNTESA-N -1 3 381.444 0.903 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001576216361 950733387 /nfs/dbraw/zinc/73/33/87/950733387.db2.gz HVMJAKCXPYPCCM-MEDUHNTESA-N -1 3 381.444 0.903 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574520561 950738329 /nfs/dbraw/zinc/73/83/29/950738329.db2.gz URGMRMGHGLSKOJ-JQWIXIFHSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574520561 950738349 /nfs/dbraw/zinc/73/83/49/950738349.db2.gz URGMRMGHGLSKOJ-JQWIXIFHSA-N -1 3 377.449 0.474 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)C1 ZINC001575629611 950742136 /nfs/dbraw/zinc/74/21/36/950742136.db2.gz QYZJLKKSGBJWRZ-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)C1 ZINC001575629611 950742154 /nfs/dbraw/zinc/74/21/54/950742154.db2.gz QYZJLKKSGBJWRZ-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001575008261 950742724 /nfs/dbraw/zinc/74/27/24/950742724.db2.gz DBZLPIIABJQTMV-SECBINFHSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001575008261 950742734 /nfs/dbraw/zinc/74/27/34/950742734.db2.gz DBZLPIIABJQTMV-SECBINFHSA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COc1ccccc1 ZINC001575008279 950743127 /nfs/dbraw/zinc/74/31/27/950743127.db2.gz DGRFQOOSQLFVNM-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COc1ccccc1 ZINC001575008279 950743139 /nfs/dbraw/zinc/74/31/39/950743139.db2.gz DGRFQOOSQLFVNM-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM CC(C)(C)[C@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C(N)=O ZINC001573880397 950744509 /nfs/dbraw/zinc/74/45/09/950744509.db2.gz YRROTEQHQQTHPY-OAHLLOKOSA-N -1 3 387.444 0.992 20 0 GCADHM CC(C)(C)[C@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C(N)=O ZINC001573880397 950744530 /nfs/dbraw/zinc/74/45/30/950744530.db2.gz YRROTEQHQQTHPY-OAHLLOKOSA-N -1 3 387.444 0.992 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2cccnn21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574764397 950746368 /nfs/dbraw/zinc/74/63/68/950746368.db2.gz RXOKETYRAKKWMV-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2cccnn21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574764397 950746388 /nfs/dbraw/zinc/74/63/88/950746388.db2.gz RXOKETYRAKKWMV-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575008452 950746677 /nfs/dbraw/zinc/74/66/77/950746677.db2.gz FGLWRMPDKJGOQV-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575008452 950746692 /nfs/dbraw/zinc/74/66/92/950746692.db2.gz FGLWRMPDKJGOQV-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575008667 950750673 /nfs/dbraw/zinc/75/06/73/950750673.db2.gz GSICJASFSIDKCG-OXJKWZBOSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575008667 950750686 /nfs/dbraw/zinc/75/06/86/950750686.db2.gz GSICJASFSIDKCG-OXJKWZBOSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)CCn3ncn(C)c3=O)c(-c3nnn[n-]3)cc2C1 ZINC001576217274 950753377 /nfs/dbraw/zinc/75/33/77/950753377.db2.gz LMXNOPXOINRWRM-JTQLQIEISA-N -1 3 383.416 0.311 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)CCn3ncn(C)c3=O)c(-c3nn[n-]n3)cc2C1 ZINC001576217274 950753394 /nfs/dbraw/zinc/75/33/94/950753394.db2.gz LMXNOPXOINRWRM-JTQLQIEISA-N -1 3 383.416 0.311 20 0 GCADHM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575927915 950763546 /nfs/dbraw/zinc/76/35/46/950763546.db2.gz VZXVNTIZTKJIIP-MWLCHTKSSA-N -1 3 380.416 0.972 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cccnc1 ZINC001575008942 950764733 /nfs/dbraw/zinc/76/47/33/950764733.db2.gz KWFVIZRCWXYVKT-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cccnc1 ZINC001575008942 950764744 /nfs/dbraw/zinc/76/47/44/950764744.db2.gz KWFVIZRCWXYVKT-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001574182802 950765566 /nfs/dbraw/zinc/76/55/66/950765566.db2.gz ZITWKHCDSSNYKE-ZDUSSCGKSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001574182802 950765581 /nfs/dbraw/zinc/76/55/81/950765581.db2.gz ZITWKHCDSSNYKE-ZDUSSCGKSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H](C)OCC1CC1 ZINC001575008991 950766353 /nfs/dbraw/zinc/76/63/53/950766353.db2.gz LRVQNYICWROWFY-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H](C)OCC1CC1 ZINC001575008991 950766367 /nfs/dbraw/zinc/76/63/67/950766367.db2.gz LRVQNYICWROWFY-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574764842 950766589 /nfs/dbraw/zinc/76/65/89/950766589.db2.gz ZNCQJAJRIXMCHR-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574764842 950766596 /nfs/dbraw/zinc/76/65/96/950766596.db2.gz ZNCQJAJRIXMCHR-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575009124 950775015 /nfs/dbraw/zinc/77/50/15/950775015.db2.gz OBOVOFVVBCHRTP-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1ccn(C)n1 ZINC001575009124 950775031 /nfs/dbraw/zinc/77/50/31/950775031.db2.gz OBOVOFVVBCHRTP-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1nccn1C ZINC001575009115 950775522 /nfs/dbraw/zinc/77/55/22/950775522.db2.gz NWVLVNVYFVXAQK-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1nccn1C ZINC001575009115 950775534 /nfs/dbraw/zinc/77/55/34/950775534.db2.gz NWVLVNVYFVXAQK-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001576217959 950778806 /nfs/dbraw/zinc/77/88/06/950778806.db2.gz PPIZNGZBQWKUIB-ABAIWWIYSA-N -1 3 381.444 0.903 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001576217959 950778823 /nfs/dbraw/zinc/77/88/23/950778823.db2.gz PPIZNGZBQWKUIB-ABAIWWIYSA-N -1 3 381.444 0.903 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574184434 950781471 /nfs/dbraw/zinc/78/14/71/950781471.db2.gz JVLCZIFXMQRGGE-AWEZNQCLSA-N -1 3 391.476 0.912 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574184434 950781487 /nfs/dbraw/zinc/78/14/87/950781487.db2.gz JVLCZIFXMQRGGE-AWEZNQCLSA-N -1 3 391.476 0.912 20 0 GCADHM CC1(C)CC(C(=O)NCCN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001575631790 950782553 /nfs/dbraw/zinc/78/25/53/950782553.db2.gz UYYMMSDDKXUDHJ-UHFFFAOYSA-N -1 3 385.476 0.331 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001573884172 950784711 /nfs/dbraw/zinc/78/47/11/950784711.db2.gz ALGNKFAXEVYXQV-AOOOYVTPSA-N -1 3 385.432 0.926 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576218377 950785707 /nfs/dbraw/zinc/78/57/07/950785707.db2.gz LPSQSLJZCVAJBI-KCJUWKMLSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576218377 950785727 /nfs/dbraw/zinc/78/57/27/950785727.db2.gz LPSQSLJZCVAJBI-KCJUWKMLSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576218379 950786941 /nfs/dbraw/zinc/78/69/41/950786941.db2.gz LPSQSLJZCVAJBI-KWQFWETISA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576218379 950786963 /nfs/dbraw/zinc/78/69/63/950786963.db2.gz LPSQSLJZCVAJBI-KWQFWETISA-N -1 3 379.371 0.817 20 0 GCADHM CC1(C)C[C@](C)(NCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C(=O)O1 ZINC001575632086 950787736 /nfs/dbraw/zinc/78/77/36/950787736.db2.gz ZSIQZDOWRGKVEJ-HNNXBMFYSA-N -1 3 380.430 0.109 20 0 GCADHM CC1(C)C[C@](C)(NCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C(=O)O1 ZINC001575632086 950787756 /nfs/dbraw/zinc/78/77/56/950787756.db2.gz ZSIQZDOWRGKVEJ-HNNXBMFYSA-N -1 3 380.430 0.109 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCCC(N)=O ZINC001575929541 950787904 /nfs/dbraw/zinc/78/79/04/950787904.db2.gz CLVAAGOVIXFFKL-JOYOIKCWSA-N -1 3 376.396 0.458 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCCC(N)=O ZINC001575929541 950787923 /nfs/dbraw/zinc/78/79/23/950787923.db2.gz CLVAAGOVIXFFKL-JOYOIKCWSA-N -1 3 376.396 0.458 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575009631 950792221 /nfs/dbraw/zinc/79/22/21/950792221.db2.gz VTIGGNKBSXHIMZ-SNVBAGLBSA-N -1 3 385.432 0.837 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575009631 950792241 /nfs/dbraw/zinc/79/22/41/950792241.db2.gz VTIGGNKBSXHIMZ-SNVBAGLBSA-N -1 3 385.432 0.837 20 0 GCADHM CC1(C)CC(CC(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575632488 950799946 /nfs/dbraw/zinc/79/99/46/950799946.db2.gz JUYICSAPJMQUIP-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC1(C)CC(CC(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575632488 950799955 /nfs/dbraw/zinc/79/99/55/950799955.db2.gz JUYICSAPJMQUIP-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCN1c1cnccn1 ZINC001576218982 950799975 /nfs/dbraw/zinc/79/99/75/950799975.db2.gz NFXAXQZEVGHDFB-BLLLJJGKSA-N -1 3 380.412 0.427 20 0 GCADHM C[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCN1c1cnccn1 ZINC001576218982 950799992 /nfs/dbraw/zinc/79/99/92/950799992.db2.gz NFXAXQZEVGHDFB-BLLLJJGKSA-N -1 3 380.412 0.427 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1nnn(C)n1 ZINC001575930704 950800157 /nfs/dbraw/zinc/80/01/57/950800157.db2.gz GMIKWKAYTXCUSD-GMSGAONNSA-N -1 3 389.811 0.154 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1nnn(C)n1 ZINC001575930704 950800177 /nfs/dbraw/zinc/80/01/77/950800177.db2.gz GMIKWKAYTXCUSD-GMSGAONNSA-N -1 3 389.811 0.154 20 0 GCADHM CC(C)(C)c1noc(CNCC=CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573884655 950800374 /nfs/dbraw/zinc/80/03/74/950800374.db2.gz HNUFMKPZVWICMB-SNAWJCMRSA-N -1 3 385.432 0.951 20 0 GCADHM CC(C)(C)c1noc(CNCC=CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573884655 950800396 /nfs/dbraw/zinc/80/03/96/950800396.db2.gz HNUFMKPZVWICMB-SNAWJCMRSA-N -1 3 385.432 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765878 950800251 /nfs/dbraw/zinc/80/02/51/950800251.db2.gz FOEHYDDMERVRHJ-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765878 950800272 /nfs/dbraw/zinc/80/02/72/950800272.db2.gz FOEHYDDMERVRHJ-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576219243 950805179 /nfs/dbraw/zinc/80/51/79/950805179.db2.gz SXZNVNGZESBJNL-MEBBXXQBSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573884764 950805478 /nfs/dbraw/zinc/80/54/78/950805478.db2.gz PFGAAVQYWVTVBP-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573884764 950805497 /nfs/dbraw/zinc/80/54/97/950805497.db2.gz PFGAAVQYWVTVBP-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575010103 950805552 /nfs/dbraw/zinc/80/55/52/950805552.db2.gz AIBNOQKBJFAVMN-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575010103 950805577 /nfs/dbraw/zinc/80/55/77/950805577.db2.gz AIBNOQKBJFAVMN-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766212 950811255 /nfs/dbraw/zinc/81/12/55/950811255.db2.gz LZLZGZOEZFZOTE-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576219780 950813731 /nfs/dbraw/zinc/81/37/31/950813731.db2.gz UQBFEFONJRQVRW-BMIGLBTASA-N -1 3 382.432 0.616 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573885106 950814677 /nfs/dbraw/zinc/81/46/77/950814677.db2.gz PHHWQLNSVUBKPV-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573885106 950814698 /nfs/dbraw/zinc/81/46/98/950814698.db2.gz PHHWQLNSVUBKPV-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)CCCC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574186675 950816528 /nfs/dbraw/zinc/81/65/28/950816528.db2.gz ICTPQVDXXPAMTF-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574186675 950816557 /nfs/dbraw/zinc/81/65/57/950816557.db2.gz ICTPQVDXXPAMTF-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)[C@H](C)c1nnnn1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574766379 950819613 /nfs/dbraw/zinc/81/96/13/950819613.db2.gz JHAVZMJEIHVTBD-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CN(C)[C@H](C)c1nnnn1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574766379 950819635 /nfs/dbraw/zinc/81/96/35/950819635.db2.gz JHAVZMJEIHVTBD-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575633775 950820935 /nfs/dbraw/zinc/82/09/35/950820935.db2.gz XCHMCPJHUVNUHC-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575633775 950820953 /nfs/dbraw/zinc/82/09/53/950820953.db2.gz XCHMCPJHUVNUHC-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C)c1noc(CNC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001573885424 950821281 /nfs/dbraw/zinc/82/12/81/950821281.db2.gz RHYSRHIGIOWDEU-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM CC(C)(C)c1noc(CNC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001573885424 950821291 /nfs/dbraw/zinc/82/12/91/950821291.db2.gz RHYSRHIGIOWDEU-UHFFFAOYSA-N -1 3 385.432 0.928 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nnsc1Cl ZINC001575010601 950824390 /nfs/dbraw/zinc/82/43/90/950824390.db2.gz GFGMRXICIOLDSA-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nnsc1Cl ZINC001575010601 950824411 /nfs/dbraw/zinc/82/44/11/950824411.db2.gz GFGMRXICIOLDSA-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001573885516 950825025 /nfs/dbraw/zinc/82/50/25/950825025.db2.gz SYOKFNDRJRBRFV-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001573885516 950825044 /nfs/dbraw/zinc/82/50/44/950825044.db2.gz SYOKFNDRJRBRFV-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575010612 950826443 /nfs/dbraw/zinc/82/64/43/950826443.db2.gz GNHJHSJJYOGBDU-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575010612 950826466 /nfs/dbraw/zinc/82/64/66/950826466.db2.gz GNHJHSJJYOGBDU-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM CC(C)(C)c1nnc(CN2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001573885486 950826883 /nfs/dbraw/zinc/82/68/83/950826883.db2.gz SETKWVFKMWOTJI-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM CC(C)(C)c1nnc(CN2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001573885486 950826906 /nfs/dbraw/zinc/82/69/06/950826906.db2.gz SETKWVFKMWOTJI-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM CC(C)(C)c1nc(CN[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001573885941 950835869 /nfs/dbraw/zinc/83/58/69/950835869.db2.gz YDQFFZNKGGVEIE-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001573885941 950835892 /nfs/dbraw/zinc/83/58/92/950835892.db2.gz YDQFFZNKGGVEIE-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001573885927 950839748 /nfs/dbraw/zinc/83/97/48/950839748.db2.gz XTEVJIFMFFQGGV-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001573885927 950839772 /nfs/dbraw/zinc/83/97/72/950839772.db2.gz XTEVJIFMFFQGGV-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H](CN(C)CC(=O)Nc1nccs1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767218 950840460 /nfs/dbraw/zinc/84/04/60/950840460.db2.gz NFSGYKFPRXEGPS-VIFPVBQESA-N -1 3 389.445 0.340 20 0 GCADHM C[C@@H](CN(C)CC(=O)Nc1nccs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767218 950840485 /nfs/dbraw/zinc/84/04/85/950840485.db2.gz NFSGYKFPRXEGPS-VIFPVBQESA-N -1 3 389.445 0.340 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001575011044 950841581 /nfs/dbraw/zinc/84/15/81/950841581.db2.gz LZHFIOIENQGKNI-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001575011044 950841604 /nfs/dbraw/zinc/84/16/04/950841604.db2.gz LZHFIOIENQGKNI-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)c1nsc(N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573887433 950844018 /nfs/dbraw/zinc/84/40/18/950844018.db2.gz ARDQOKCINQAUER-SECBINFHSA-N -1 3 391.461 0.547 20 0 GCADHM CC(C)(C)c1nsc(N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573887433 950844040 /nfs/dbraw/zinc/84/40/40/950844040.db2.gz ARDQOKCINQAUER-SECBINFHSA-N -1 3 391.461 0.547 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1nccnc1N ZINC001575934171 950849919 /nfs/dbraw/zinc/84/99/19/950849919.db2.gz QOSNKTBNPRFTNA-GZMMTYOYSA-N -1 3 384.379 0.488 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1nccnc1N ZINC001575934171 950849946 /nfs/dbraw/zinc/84/99/46/950849946.db2.gz QOSNKTBNPRFTNA-GZMMTYOYSA-N -1 3 384.379 0.488 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001574188587 950850235 /nfs/dbraw/zinc/85/02/35/950850235.db2.gz WMPHVIDUXJUXKS-DZGCQCFKSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001574188587 950850260 /nfs/dbraw/zinc/85/02/60/950850260.db2.gz WMPHVIDUXJUXKS-DZGCQCFKSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)C1=COCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574524205 950849994 /nfs/dbraw/zinc/84/99/94/950849994.db2.gz UZHSZCJEVSTWMA-NXEZZACHSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)C1=COCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574524205 950850024 /nfs/dbraw/zinc/85/00/24/950850024.db2.gz UZHSZCJEVSTWMA-NXEZZACHSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)C1=COCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574524206 950850898 /nfs/dbraw/zinc/85/08/98/950850898.db2.gz UZHSZCJEVSTWMA-UWVGGRQHSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)C1=COCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574524206 950850917 /nfs/dbraw/zinc/85/09/17/950850917.db2.gz UZHSZCJEVSTWMA-UWVGGRQHSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767509 950851615 /nfs/dbraw/zinc/85/16/15/950851615.db2.gz PEXRGRBOROPFBG-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767509 950851631 /nfs/dbraw/zinc/85/16/31/950851631.db2.gz PEXRGRBOROPFBG-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573887678 950851941 /nfs/dbraw/zinc/85/19/41/950851941.db2.gz IJFYIPLGWIDSGW-AOOOYVTPSA-N -1 3 385.432 0.926 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573887678 950851968 /nfs/dbraw/zinc/85/19/68/950851968.db2.gz IJFYIPLGWIDSGW-AOOOYVTPSA-N -1 3 385.432 0.926 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CNC(=O)C1CC1 ZINC001575934535 950860852 /nfs/dbraw/zinc/86/08/52/950860852.db2.gz SDHXKEVSOOVYSH-ZANVPECISA-N -1 3 388.407 0.328 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CNC(=O)C1CC1 ZINC001575934535 950860873 /nfs/dbraw/zinc/86/08/73/950860873.db2.gz SDHXKEVSOOVYSH-ZANVPECISA-N -1 3 388.407 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767699 950862075 /nfs/dbraw/zinc/86/20/75/950862075.db2.gz PTGNVXOVCJKGQV-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767699 950862095 /nfs/dbraw/zinc/86/20/95/950862095.db2.gz PTGNVXOVCJKGQV-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CNC(=O)C1CC1 ZINC001575934532 950862226 /nfs/dbraw/zinc/86/22/26/950862226.db2.gz SDHXKEVSOOVYSH-TVQRCGJNSA-N -1 3 388.407 0.328 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CNC(=O)C1CC1 ZINC001575934532 950862243 /nfs/dbraw/zinc/86/22/43/950862243.db2.gz SDHXKEVSOOVYSH-TVQRCGJNSA-N -1 3 388.407 0.328 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)Cc1ncccc1F ZINC001575011876 950864781 /nfs/dbraw/zinc/86/47/81/950864781.db2.gz SXHOEZZOSNFMTR-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)Cc1ncccc1F ZINC001575011876 950864795 /nfs/dbraw/zinc/86/47/95/950864795.db2.gz SXHOEZZOSNFMTR-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnns1 ZINC001574527155 950875638 /nfs/dbraw/zinc/87/56/38/950875638.db2.gz AGAXNJDKHGKFOS-JGVFFNPUSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnns1 ZINC001574527155 950875651 /nfs/dbraw/zinc/87/56/51/950875651.db2.gz AGAXNJDKHGKFOS-JGVFFNPUSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1cc2n(n1)CCCC2 ZINC001575012089 950876047 /nfs/dbraw/zinc/87/60/47/950876047.db2.gz WDRUBNBTBXBMHI-GFCCVEGCSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1cc2n(n1)CCCC2 ZINC001575012089 950876066 /nfs/dbraw/zinc/87/60/66/950876066.db2.gz WDRUBNBTBXBMHI-GFCCVEGCSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575935416 950878305 /nfs/dbraw/zinc/87/83/05/950878305.db2.gz WCYBEUXFFVEKGX-TZMCWYRMSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575935416 950878323 /nfs/dbraw/zinc/87/83/23/950878323.db2.gz WCYBEUXFFVEKGX-TZMCWYRMSA-N -1 3 386.460 0.922 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573893345 950879879 /nfs/dbraw/zinc/87/98/79/950879879.db2.gz AQOWAJRQZKJYGE-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573893345 950879900 /nfs/dbraw/zinc/87/99/00/950879900.db2.gz AQOWAJRQZKJYGE-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nccn2ccnc12)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574768033 950880467 /nfs/dbraw/zinc/88/04/67/950880467.db2.gz WVXNVXDXOXOTJN-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nccn2ccnc12)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574768033 950880480 /nfs/dbraw/zinc/88/04/80/950880480.db2.gz WVXNVXDXOXOTJN-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575012340 950882262 /nfs/dbraw/zinc/88/22/62/950882262.db2.gz YTASATCRCUHUBE-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575012340 950882280 /nfs/dbraw/zinc/88/22/80/950882280.db2.gz YTASATCRCUHUBE-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575012355 950884059 /nfs/dbraw/zinc/88/40/59/950884059.db2.gz YZBRRFROAIYPHR-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575012355 950884074 /nfs/dbraw/zinc/88/40/74/950884074.db2.gz YZBRRFROAIYPHR-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nnc2n1CCCC2 ZINC001575012179 950885818 /nfs/dbraw/zinc/88/58/18/950885818.db2.gz XLZYJSQAXSOVJZ-LLVKDONJSA-N -1 3 384.448 0.373 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nnc2n1CCCC2 ZINC001575012179 950885840 /nfs/dbraw/zinc/88/58/40/950885840.db2.gz XLZYJSQAXSOVJZ-LLVKDONJSA-N -1 3 384.448 0.373 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576226518 950889247 /nfs/dbraw/zinc/88/92/47/950889247.db2.gz BZRVCIABKUSZMQ-BXUZGUMPSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576226518 950889257 /nfs/dbraw/zinc/88/92/57/950889257.db2.gz BZRVCIABKUSZMQ-BXUZGUMPSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575935711 950893019 /nfs/dbraw/zinc/89/30/19/950893019.db2.gz AORHFHFFYZNTDG-RISCZKNCSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575935711 950893030 /nfs/dbraw/zinc/89/30/30/950893030.db2.gz AORHFHFFYZNTDG-RISCZKNCSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576226915 950895755 /nfs/dbraw/zinc/89/57/55/950895755.db2.gz DCRFODNWYGYKMZ-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)CC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576226915 950895772 /nfs/dbraw/zinc/89/57/72/950895772.db2.gz DCRFODNWYGYKMZ-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573893791 950903789 /nfs/dbraw/zinc/90/37/89/950903789.db2.gz WMFGSGPCOKJNCH-UHFFFAOYSA-N -1 3 384.448 0.403 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573893791 950903806 /nfs/dbraw/zinc/90/38/06/950903806.db2.gz WMFGSGPCOKJNCH-UHFFFAOYSA-N -1 3 384.448 0.403 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCC[C@@H]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768870 950907272 /nfs/dbraw/zinc/90/72/72/950907272.db2.gz WVWMJAIZKCMQTE-OLZOCXBDSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574768899 950907520 /nfs/dbraw/zinc/90/75/20/950907520.db2.gz XDYZGOUWARDLNJ-JTQLQIEISA-N -1 3 385.436 0.576 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574768899 950907534 /nfs/dbraw/zinc/90/75/34/950907534.db2.gz XDYZGOUWARDLNJ-JTQLQIEISA-N -1 3 385.436 0.576 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(N(C)C)cn1 ZINC001575014739 950909015 /nfs/dbraw/zinc/90/90/15/950909015.db2.gz IRFMQNSNPPSYGB-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(N(C)C)cn1 ZINC001575014739 950909032 /nfs/dbraw/zinc/90/90/32/950909032.db2.gz IRFMQNSNPPSYGB-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM CC(C)CCCC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574190431 950910754 /nfs/dbraw/zinc/91/07/54/950910754.db2.gz XXPAEGCKBDSJKA-ZDUSSCGKSA-N -1 3 377.449 0.570 20 0 GCADHM CC(C)CCCC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574190431 950910772 /nfs/dbraw/zinc/91/07/72/950910772.db2.gz XXPAEGCKBDSJKA-ZDUSSCGKSA-N -1 3 377.449 0.570 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2n(n1)CCCC2 ZINC001575014581 950911269 /nfs/dbraw/zinc/91/12/69/950911269.db2.gz HISKJZMXQSFGFS-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2n(n1)CCCC2 ZINC001575014581 950911288 /nfs/dbraw/zinc/91/12/88/950911288.db2.gz HISKJZMXQSFGFS-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001573893958 950914087 /nfs/dbraw/zinc/91/40/87/950914087.db2.gz FOGQQJNZSWQJDD-GFCCVEGCSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001573893958 950914113 /nfs/dbraw/zinc/91/41/13/950914113.db2.gz FOGQQJNZSWQJDD-GFCCVEGCSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001575014772 950914459 /nfs/dbraw/zinc/91/44/59/950914459.db2.gz IYCFYHBPESCGKJ-GXSJLCMTSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(Cl)cn1C ZINC001575014778 950914487 /nfs/dbraw/zinc/91/44/87/950914487.db2.gz JAOVCXRNVOIOTR-MRVPVSSYSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(Cl)cn1C ZINC001575014778 950914501 /nfs/dbraw/zinc/91/45/01/950914501.db2.gz JAOVCXRNVOIOTR-MRVPVSSYSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2n(c1)CCCC2 ZINC001575014769 950916285 /nfs/dbraw/zinc/91/62/85/950916285.db2.gz IWKAGTRBSLRYEX-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2n(c1)CCCC2 ZINC001575014769 950916318 /nfs/dbraw/zinc/91/63/18/950916318.db2.gz IWKAGTRBSLRYEX-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001573894002 950917323 /nfs/dbraw/zinc/91/73/23/950917323.db2.gz IMCGUXZYUPRQJL-NSHDSACASA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001573894002 950917342 /nfs/dbraw/zinc/91/73/42/950917342.db2.gz IMCGUXZYUPRQJL-NSHDSACASA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001573894001 950917519 /nfs/dbraw/zinc/91/75/19/950917519.db2.gz IMCGUXZYUPRQJL-LLVKDONJSA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001573894001 950917533 /nfs/dbraw/zinc/91/75/33/950917533.db2.gz IMCGUXZYUPRQJL-LLVKDONJSA-N -1 3 382.432 0.935 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576227699 950918140 /nfs/dbraw/zinc/91/81/40/950918140.db2.gz HWVIFSJPGXOGKX-YPMHNXCESA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576227699 950918161 /nfs/dbraw/zinc/91/81/61/950918161.db2.gz HWVIFSJPGXOGKX-YPMHNXCESA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576227697 950919061 /nfs/dbraw/zinc/91/90/61/950919061.db2.gz HWVIFSJPGXOGKX-WCQYABFASA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576227697 950919077 /nfs/dbraw/zinc/91/90/77/950919077.db2.gz HWVIFSJPGXOGKX-WCQYABFASA-N -1 3 387.444 0.446 20 0 GCADHM CC(C)(C)n1cc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001573894067 950919479 /nfs/dbraw/zinc/91/94/79/950919479.db2.gz LLIXHFAFHCBOID-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575641663 950923094 /nfs/dbraw/zinc/92/30/94/950923094.db2.gz CWYYOPTWCGPLDL-QWHCGFSZSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575641663 950923106 /nfs/dbraw/zinc/92/31/06/950923106.db2.gz CWYYOPTWCGPLDL-QWHCGFSZSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575641629 950923144 /nfs/dbraw/zinc/92/31/44/950923144.db2.gz CNTBZTUSMNNDSH-LBPRGKRZSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575641629 950923164 /nfs/dbraw/zinc/92/31/64/950923164.db2.gz CNTBZTUSMNNDSH-LBPRGKRZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)n1cc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001573894164 950924043 /nfs/dbraw/zinc/92/40/43/950924043.db2.gz OKWOGCUEEBPPKF-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM CC(C)(C)n1cc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC001573894164 950924066 /nfs/dbraw/zinc/92/40/66/950924066.db2.gz OKWOGCUEEBPPKF-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM C[C@@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)CCn1cncn1 ZINC001574771541 950924679 /nfs/dbraw/zinc/92/46/79/950924679.db2.gz FZYUONUOGDUDKJ-LBPRGKRZSA-N -1 3 387.423 0.624 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001573894173 950924807 /nfs/dbraw/zinc/92/48/07/950924807.db2.gz PHYVUBORFMEVAW-GFCCVEGCSA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001573894173 950924825 /nfs/dbraw/zinc/92/48/25/950924825.db2.gz PHYVUBORFMEVAW-GFCCVEGCSA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001573894397 950926872 /nfs/dbraw/zinc/92/68/72/950926872.db2.gz RKWSVDCUHFUGDW-GFCCVEGCSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001573894397 950926884 /nfs/dbraw/zinc/92/68/84/950926884.db2.gz RKWSVDCUHFUGDW-GFCCVEGCSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1COc2ccccc21 ZINC001575015345 950928993 /nfs/dbraw/zinc/92/89/93/950928993.db2.gz PMHBNHVKIIQOOE-ZYHUDNBSSA-N -1 3 381.396 0.606 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1COc2ccccc21 ZINC001575015345 950929015 /nfs/dbraw/zinc/92/90/15/950929015.db2.gz PMHBNHVKIIQOOE-ZYHUDNBSSA-N -1 3 381.396 0.606 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1COc2ccccc21 ZINC001575015341 950930719 /nfs/dbraw/zinc/93/07/19/950930719.db2.gz PMHBNHVKIIQOOE-JQWIXIFHSA-N -1 3 381.396 0.606 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1COc2ccccc21 ZINC001575015341 950930724 /nfs/dbraw/zinc/93/07/24/950930724.db2.gz PMHBNHVKIIQOOE-JQWIXIFHSA-N -1 3 381.396 0.606 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001575015300 950930873 /nfs/dbraw/zinc/93/08/73/950930873.db2.gz OUFGXINTHPETJY-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c[nH]nc1C(C)(C)C ZINC001575015300 950930887 /nfs/dbraw/zinc/93/08/87/950930887.db2.gz OUFGXINTHPETJY-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001573894662 950932084 /nfs/dbraw/zinc/93/20/84/950932084.db2.gz WVLDSRADGSNREA-CYBMUJFWSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001573894662 950932098 /nfs/dbraw/zinc/93/20/98/950932098.db2.gz WVLDSRADGSNREA-CYBMUJFWSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001573894539 950934571 /nfs/dbraw/zinc/93/45/71/950934571.db2.gz VQAFDWVWPSJJNS-UHFFFAOYSA-N -1 3 382.432 0.571 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001573894539 950934583 /nfs/dbraw/zinc/93/45/83/950934583.db2.gz VQAFDWVWPSJJNS-UHFFFAOYSA-N -1 3 382.432 0.571 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574528591 950936226 /nfs/dbraw/zinc/93/62/26/950936226.db2.gz NOWVRSWNLBNJRV-VHSXEESVSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574528591 950936246 /nfs/dbraw/zinc/93/62/46/950936246.db2.gz NOWVRSWNLBNJRV-VHSXEESVSA-N -1 3 384.400 0.622 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001573894724 950939464 /nfs/dbraw/zinc/93/94/64/950939464.db2.gz ZFNGFOKGUXQSAY-CYBMUJFWSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001573894724 950939481 /nfs/dbraw/zinc/93/94/81/950939481.db2.gz ZFNGFOKGUXQSAY-CYBMUJFWSA-N -1 3 384.448 0.546 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001575642544 950946234 /nfs/dbraw/zinc/94/62/34/950946234.db2.gz IDOCFBGXSURVOC-VXGBXAGGSA-N -1 3 385.428 0.341 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001575642544 950946252 /nfs/dbraw/zinc/94/62/52/950946252.db2.gz IDOCFBGXSURVOC-VXGBXAGGSA-N -1 3 385.428 0.341 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001575642540 950948422 /nfs/dbraw/zinc/94/84/22/950948422.db2.gz IDOCFBGXSURVOC-NWDGAFQWSA-N -1 3 385.428 0.341 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001575642540 950948440 /nfs/dbraw/zinc/94/84/40/950948440.db2.gz IDOCFBGXSURVOC-NWDGAFQWSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001575015815 950949109 /nfs/dbraw/zinc/94/91/09/950949109.db2.gz WMSVFABRRVHLAD-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001575015815 950949127 /nfs/dbraw/zinc/94/91/27/950949127.db2.gz WMSVFABRRVHLAD-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCCn1cncn1 ZINC001575937603 950951158 /nfs/dbraw/zinc/95/11/58/950951158.db2.gz KXDOWAGQTVELPQ-JSGCOSHPSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCCn1cncn1 ZINC001575937603 950951184 /nfs/dbraw/zinc/95/11/84/950951184.db2.gz KXDOWAGQTVELPQ-JSGCOSHPSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001575015951 950955131 /nfs/dbraw/zinc/95/51/31/950955131.db2.gz YOTIXZPIKONZSV-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001575015951 950955148 /nfs/dbraw/zinc/95/51/48/950955148.db2.gz YOTIXZPIKONZSV-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001575015979 950956216 /nfs/dbraw/zinc/95/62/16/950956216.db2.gz ZCMPJWCDDZQGCE-VIFPVBQESA-N -1 3 384.400 0.144 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001575015979 950956227 /nfs/dbraw/zinc/95/62/27/950956227.db2.gz ZCMPJWCDDZQGCE-VIFPVBQESA-N -1 3 384.400 0.144 20 0 GCADHM C[C@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)CCn1ccnn1 ZINC001574772067 950957284 /nfs/dbraw/zinc/95/72/84/950957284.db2.gz PGSDLXFASAJLLE-GFCCVEGCSA-N -1 3 387.423 0.624 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCc1cccnc1 ZINC001575015990 950958309 /nfs/dbraw/zinc/95/83/09/950958309.db2.gz ZORNNMNMMIUEOV-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCc1cccnc1 ZINC001575015990 950958326 /nfs/dbraw/zinc/95/83/26/950958326.db2.gz ZORNNMNMMIUEOV-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ocnc1C(F)F ZINC001575016827 950960745 /nfs/dbraw/zinc/96/07/45/950960745.db2.gz ALPLRGTTXQIDJI-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ocnc1C(F)F ZINC001575016827 950960754 /nfs/dbraw/zinc/96/07/54/950960754.db2.gz ALPLRGTTXQIDJI-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575937988 950967602 /nfs/dbraw/zinc/96/76/02/950967602.db2.gz IBDUYBZAQOCHCP-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575937988 950967622 /nfs/dbraw/zinc/96/76/22/950967622.db2.gz IBDUYBZAQOCHCP-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576229515 950972756 /nfs/dbraw/zinc/97/27/56/950972756.db2.gz KAJKOLBFPHNWIG-GWCFXTLKSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576229515 950972765 /nfs/dbraw/zinc/97/27/65/950972765.db2.gz KAJKOLBFPHNWIG-GWCFXTLKSA-N -1 3 391.407 0.290 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575643534 950972640 /nfs/dbraw/zinc/97/26/40/950972640.db2.gz MUSBKKPOBIGGDR-QWHCGFSZSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575643534 950972651 /nfs/dbraw/zinc/97/26/51/950972651.db2.gz MUSBKKPOBIGGDR-QWHCGFSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575017118 950976321 /nfs/dbraw/zinc/97/63/21/950976321.db2.gz AFRLCPWNDKMZBO-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575017118 950976336 /nfs/dbraw/zinc/97/63/36/950976336.db2.gz AFRLCPWNDKMZBO-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CO1 ZINC001575938368 950976245 /nfs/dbraw/zinc/97/62/45/950976245.db2.gz KLOATVCNWLSJKY-WCQYABFASA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CO1 ZINC001575938368 950976270 /nfs/dbraw/zinc/97/62/70/950976270.db2.gz KLOATVCNWLSJKY-WCQYABFASA-N -1 3 375.433 0.540 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@@H]1CO[C@H](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575938402 950977867 /nfs/dbraw/zinc/97/78/67/950977867.db2.gz KXBUZEMEANAUDA-OLZOCXBDSA-N -1 3 389.460 0.929 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@@H]1CO[C@H](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575938402 950977888 /nfs/dbraw/zinc/97/78/88/950977888.db2.gz KXBUZEMEANAUDA-OLZOCXBDSA-N -1 3 389.460 0.929 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573899511 950978320 /nfs/dbraw/zinc/97/83/20/950978320.db2.gz BIXQBTRXHIASLD-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573899511 950978343 /nfs/dbraw/zinc/97/83/43/950978343.db2.gz BIXQBTRXHIASLD-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM C[C@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)CCn1cnnn1 ZINC001574773658 950985626 /nfs/dbraw/zinc/98/56/26/950985626.db2.gz XRXWZPDWOLJDII-LLVKDONJSA-N -1 3 388.411 0.019 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575017281 950986826 /nfs/dbraw/zinc/98/68/26/950986826.db2.gz CNGJUOLEOFUUJZ-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575017281 950986845 /nfs/dbraw/zinc/98/68/45/950986845.db2.gz CNGJUOLEOFUUJZ-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575938850 950993112 /nfs/dbraw/zinc/99/31/12/950993112.db2.gz OUBSCXJJGHDFBA-RISCZKNCSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575938850 950993125 /nfs/dbraw/zinc/99/31/25/950993125.db2.gz OUBSCXJJGHDFBA-RISCZKNCSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575938674 950993159 /nfs/dbraw/zinc/99/31/59/950993159.db2.gz MNFVPHAEBBEUIX-CHWSQXEVSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575938674 950993171 /nfs/dbraw/zinc/99/31/71/950993171.db2.gz MNFVPHAEBBEUIX-CHWSQXEVSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001575017545 950999044 /nfs/dbraw/zinc/99/90/44/950999044.db2.gz LELXDUCYIYEKGH-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001575017545 950999059 /nfs/dbraw/zinc/99/90/59/950999059.db2.gz LELXDUCYIYEKGH-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1coc(C2CCC2)n1 ZINC001575017514 951000110 /nfs/dbraw/zinc/00/01/10/951000110.db2.gz KYZKZPXDOSUCRU-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1coc(C2CCC2)n1 ZINC001575017514 951000130 /nfs/dbraw/zinc/00/01/30/951000130.db2.gz KYZKZPXDOSUCRU-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccnc2n[nH]nc21 ZINC001575939039 951003863 /nfs/dbraw/zinc/00/38/63/951003863.db2.gz POXPXRNSHXADJL-SKDRFNHKSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccnc2n[nH]nc21 ZINC001575939039 951003879 /nfs/dbraw/zinc/00/38/79/951003879.db2.gz POXPXRNSHXADJL-SKDRFNHKSA-N -1 3 391.399 0.643 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575646557 951009322 /nfs/dbraw/zinc/00/93/22/951009322.db2.gz BFHSRPONEKIKLT-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575646557 951009340 /nfs/dbraw/zinc/00/93/40/951009340.db2.gz BFHSRPONEKIKLT-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575018143 951014443 /nfs/dbraw/zinc/01/44/43/951014443.db2.gz LIIWJIRXZZTTLE-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575018143 951014454 /nfs/dbraw/zinc/01/44/54/951014454.db2.gz LIIWJIRXZZTTLE-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnn1C(F)F ZINC001575020416 951056326 /nfs/dbraw/zinc/05/63/26/951056326.db2.gz ZGGHPQLRLQLNFR-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnn1C(F)F ZINC001575020416 951056337 /nfs/dbraw/zinc/05/63/37/951056337.db2.gz ZGGHPQLRLQLNFR-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575021106 951060276 /nfs/dbraw/zinc/06/02/76/951060276.db2.gz AWMSNWOWSVGXJQ-ZETCQYMHSA-N -1 3 390.404 0.792 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575021106 951060286 /nfs/dbraw/zinc/06/02/86/951060286.db2.gz AWMSNWOWSVGXJQ-ZETCQYMHSA-N -1 3 390.404 0.792 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575021100 951060648 /nfs/dbraw/zinc/06/06/48/951060648.db2.gz AVUJTEMNDQSHJW-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575021100 951060659 /nfs/dbraw/zinc/06/06/59/951060659.db2.gz AVUJTEMNDQSHJW-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)o1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575024285 951097496 /nfs/dbraw/zinc/09/74/96/951097496.db2.gz ZURFASVEKONAMC-MRVPVSSYSA-N -1 3 388.363 0.347 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)o1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575024285 951097511 /nfs/dbraw/zinc/09/75/11/951097511.db2.gz ZURFASVEKONAMC-MRVPVSSYSA-N -1 3 388.363 0.347 20 0 GCADHM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575024719 951111740 /nfs/dbraw/zinc/11/17/40/951111740.db2.gz LGZSXIGVNRNVAS-SECBINFHSA-N -1 3 391.413 0.489 20 0 GCADHM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575024719 951111750 /nfs/dbraw/zinc/11/17/50/951111750.db2.gz LGZSXIGVNRNVAS-SECBINFHSA-N -1 3 391.413 0.489 20 0 GCADHM C[C@H](CNC(=O)c1ccc2ncn(C)c2n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575025890 951134906 /nfs/dbraw/zinc/13/49/06/951134906.db2.gz CMDYSSGSZDISAC-LLVKDONJSA-N -1 3 392.427 0.798 20 0 GCADHM C[C@H](CNC(=O)c1ccc2ncn(C)c2n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575025890 951134909 /nfs/dbraw/zinc/13/49/09/951134909.db2.gz CMDYSSGSZDISAC-LLVKDONJSA-N -1 3 392.427 0.798 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(-c2nnn[n-]2)c1Br)S(C)(=O)=O ZINC001575026397 951143054 /nfs/dbraw/zinc/14/30/54/951143054.db2.gz IQONLRDYCSGQMD-ZETCQYMHSA-N -1 3 388.247 0.792 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(-c2nn[n-]n2)c1Br)S(C)(=O)=O ZINC001575026397 951143060 /nfs/dbraw/zinc/14/30/60/951143060.db2.gz IQONLRDYCSGQMD-ZETCQYMHSA-N -1 3 388.247 0.792 20 0 GCADHM C[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)c1Br)S(C)(=O)=O ZINC001575026396 951143780 /nfs/dbraw/zinc/14/37/80/951143780.db2.gz IQONLRDYCSGQMD-SSDOTTSWSA-N -1 3 388.247 0.792 20 0 GCADHM C[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)c1Br)S(C)(=O)=O ZINC001575026396 951143785 /nfs/dbraw/zinc/14/37/85/951143785.db2.gz IQONLRDYCSGQMD-SSDOTTSWSA-N -1 3 388.247 0.792 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575028961 951180461 /nfs/dbraw/zinc/18/04/61/951180461.db2.gz XYOOEMCIPKZAHT-VIFPVBQESA-N -1 3 384.375 0.730 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575028961 951180468 /nfs/dbraw/zinc/18/04/68/951180468.db2.gz XYOOEMCIPKZAHT-VIFPVBQESA-N -1 3 384.375 0.730 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575031869 951207185 /nfs/dbraw/zinc/20/71/85/951207185.db2.gz KUNOWFIFMBAKTL-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575031869 951207191 /nfs/dbraw/zinc/20/71/91/951207191.db2.gz KUNOWFIFMBAKTL-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1cccn(C)c1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575032149 951218616 /nfs/dbraw/zinc/21/86/16/951218616.db2.gz SAHXWCZPEYTIFD-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@H](CNC(=O)c1cccn(C)c1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575032149 951218623 /nfs/dbraw/zinc/21/86/23/951218623.db2.gz SAHXWCZPEYTIFD-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575032511 951227439 /nfs/dbraw/zinc/22/74/39/951227439.db2.gz ZINSEKLCOZQKDL-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575032511 951227451 /nfs/dbraw/zinc/22/74/51/951227451.db2.gz ZINSEKLCOZQKDL-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575033808 951228630 /nfs/dbraw/zinc/22/86/30/951228630.db2.gz BRTGTTBQPJFUNP-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575033808 951228639 /nfs/dbraw/zinc/22/86/39/951228639.db2.gz BRTGTTBQPJFUNP-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001575036044 951287869 /nfs/dbraw/zinc/28/78/69/951287869.db2.gz PISFMZZPAISHLU-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001575036044 951287882 /nfs/dbraw/zinc/28/78/82/951287882.db2.gz PISFMZZPAISHLU-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ccn(-c2ccncc2)n1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575036640 951297741 /nfs/dbraw/zinc/29/77/41/951297741.db2.gz UVRXMJHWNIMALB-LLVKDONJSA-N -1 3 391.399 0.468 20 0 GCADHM C[C@H](CNC(=O)c1ccn(-c2ccncc2)n1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575036640 951297754 /nfs/dbraw/zinc/29/77/54/951297754.db2.gz UVRXMJHWNIMALB-LLVKDONJSA-N -1 3 391.399 0.468 20 0 GCADHM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575036692 951298604 /nfs/dbraw/zinc/29/86/04/951298604.db2.gz WAOZNOFIVFPDMY-SECBINFHSA-N -1 3 377.359 0.954 20 0 GCADHM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575036692 951298618 /nfs/dbraw/zinc/29/86/18/951298618.db2.gz WAOZNOFIVFPDMY-SECBINFHSA-N -1 3 377.359 0.954 20 0 GCADHM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575037611 951307531 /nfs/dbraw/zinc/30/75/31/951307531.db2.gz BNXUXJGNRRUADM-SECBINFHSA-N -1 3 388.411 0.978 20 0 GCADHM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575037611 951307543 /nfs/dbraw/zinc/30/75/43/951307543.db2.gz BNXUXJGNRRUADM-SECBINFHSA-N -1 3 388.411 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575041741 951348385 /nfs/dbraw/zinc/34/83/85/951348385.db2.gz ASXPBIPAUDGHLL-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575041741 951348399 /nfs/dbraw/zinc/34/83/99/951348399.db2.gz ASXPBIPAUDGHLL-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575041982 951355299 /nfs/dbraw/zinc/35/52/99/951355299.db2.gz FKHZRPLWSFKWSO-NSHDSACASA-N -1 3 385.403 0.959 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575041982 951355309 /nfs/dbraw/zinc/35/53/09/951355309.db2.gz FKHZRPLWSFKWSO-NSHDSACASA-N -1 3 385.403 0.959 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575042143 951355557 /nfs/dbraw/zinc/35/55/57/951355557.db2.gz GIAFCGDLKQESSF-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575042143 951355573 /nfs/dbraw/zinc/35/55/73/951355573.db2.gz GIAFCGDLKQESSF-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575042144 951356653 /nfs/dbraw/zinc/35/66/53/951356653.db2.gz GIAFCGDLKQESSF-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575042144 951356673 /nfs/dbraw/zinc/35/66/73/951356673.db2.gz GIAFCGDLKQESSF-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)cn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575042237 951360631 /nfs/dbraw/zinc/36/06/31/951360631.db2.gz HQIGBKMGDAWIRX-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)cn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575042237 951360649 /nfs/dbraw/zinc/36/06/49/951360649.db2.gz HQIGBKMGDAWIRX-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575042940 951377491 /nfs/dbraw/zinc/37/74/91/951377491.db2.gz DOJYQCMVLYENIX-SSDOTTSWSA-N -1 3 375.780 0.641 20 0 GCADHM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575042940 951377505 /nfs/dbraw/zinc/37/75/05/951377505.db2.gz DOJYQCMVLYENIX-SSDOTTSWSA-N -1 3 375.780 0.641 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043441 951392206 /nfs/dbraw/zinc/39/22/06/951392206.db2.gz JHICKJFUMQMVPY-CABZTGNLSA-N -1 3 384.404 0.462 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575043437 951393314 /nfs/dbraw/zinc/39/33/14/951393314.db2.gz JFACWBXOMYAEGF-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575043437 951393327 /nfs/dbraw/zinc/39/33/27/951393327.db2.gz JFACWBXOMYAEGF-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575043425 951393581 /nfs/dbraw/zinc/39/35/81/951393581.db2.gz IXAAFZLSELXYKI-QMMMGPOBSA-N -1 3 389.807 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575043425 951393590 /nfs/dbraw/zinc/39/35/90/951393590.db2.gz IXAAFZLSELXYKI-QMMMGPOBSA-N -1 3 389.807 0.665 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575043564 951397255 /nfs/dbraw/zinc/39/72/55/951397255.db2.gz UTNDCWHWJLAQIV-SECBINFHSA-N -1 3 388.819 0.844 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575043564 951397273 /nfs/dbraw/zinc/39/72/73/951397273.db2.gz UTNDCWHWJLAQIV-SECBINFHSA-N -1 3 388.819 0.844 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575043811 951404107 /nfs/dbraw/zinc/40/41/07/951404107.db2.gz VTACVIGCVCJUQL-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575043811 951404112 /nfs/dbraw/zinc/40/41/12/951404112.db2.gz VTACVIGCVCJUQL-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575043989 951408456 /nfs/dbraw/zinc/40/84/56/951408456.db2.gz XOHGHEDDTVWOJC-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575043989 951408467 /nfs/dbraw/zinc/40/84/67/951408467.db2.gz XOHGHEDDTVWOJC-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ncccc1-c1nnn[n-]1 ZINC001575044951 951422534 /nfs/dbraw/zinc/42/25/34/951422534.db2.gz XYFHNSVHTSBWOB-NSHDSACASA-N -1 3 382.432 0.596 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ncccc1-c1nn[n-]n1 ZINC001575044951 951422541 /nfs/dbraw/zinc/42/25/41/951422541.db2.gz XYFHNSVHTSBWOB-NSHDSACASA-N -1 3 382.432 0.596 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575045394 951425425 /nfs/dbraw/zinc/42/54/25/951425425.db2.gz BOKQMJQNLKZQFD-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575045394 951425437 /nfs/dbraw/zinc/42/54/37/951425437.db2.gz BOKQMJQNLKZQFD-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575045991 951434736 /nfs/dbraw/zinc/43/47/36/951434736.db2.gz KKNVUHZNDINTPU-NSHDSACASA-N -1 3 383.416 0.466 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575045991 951434743 /nfs/dbraw/zinc/43/47/43/951434743.db2.gz KKNVUHZNDINTPU-NSHDSACASA-N -1 3 383.416 0.466 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1N)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575052503 951466437 /nfs/dbraw/zinc/46/64/37/951466437.db2.gz KNGMJFXSEYXFHZ-MRVPVSSYSA-N -1 3 390.839 0.486 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1N)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575052503 951466449 /nfs/dbraw/zinc/46/64/49/951466449.db2.gz KNGMJFXSEYXFHZ-MRVPVSSYSA-N -1 3 390.839 0.486 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053392 951479274 /nfs/dbraw/zinc/47/92/74/951479274.db2.gz BZGOWKSLLJORTB-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053392 951479280 /nfs/dbraw/zinc/47/92/80/951479280.db2.gz BZGOWKSLLJORTB-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cnnn1C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575054275 951491577 /nfs/dbraw/zinc/49/15/77/951491577.db2.gz HKEKCMJQEPPIKE-MRVPVSSYSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@H](CNC(=O)c1cnnn1C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575054275 951491583 /nfs/dbraw/zinc/49/15/83/951491583.db2.gz HKEKCMJQEPPIKE-MRVPVSSYSA-N -1 3 376.812 0.298 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001575054573 951493200 /nfs/dbraw/zinc/49/32/00/951493200.db2.gz YLFGEEFPNDHOGI-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001575054573 951493207 /nfs/dbraw/zinc/49/32/07/951493207.db2.gz YLFGEEFPNDHOGI-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575054704 951495878 /nfs/dbraw/zinc/49/58/78/951495878.db2.gz KDEWEDFTUFAGOQ-JTQLQIEISA-N -1 3 391.386 0.822 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575054704 951495882 /nfs/dbraw/zinc/49/58/82/951495882.db2.gz KDEWEDFTUFAGOQ-JTQLQIEISA-N -1 3 391.386 0.822 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575055389 951503590 /nfs/dbraw/zinc/50/35/90/951503590.db2.gz SDHFCLXRUPZCRQ-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575055389 951503600 /nfs/dbraw/zinc/50/36/00/951503600.db2.gz SDHFCLXRUPZCRQ-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575055433 951506485 /nfs/dbraw/zinc/50/64/85/951506485.db2.gz UEVWRZPVOPPUFO-SECBINFHSA-N -1 3 377.359 0.797 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575055433 951506487 /nfs/dbraw/zinc/50/64/87/951506487.db2.gz UEVWRZPVOPPUFO-SECBINFHSA-N -1 3 377.359 0.797 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575055600 951508956 /nfs/dbraw/zinc/50/89/56/951508956.db2.gz YBIOFENXXHMZNI-JTQLQIEISA-N -1 3 389.395 0.157 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575055600 951508964 /nfs/dbraw/zinc/50/89/64/951508964.db2.gz YBIOFENXXHMZNI-JTQLQIEISA-N -1 3 389.395 0.157 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C(N)=O)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575058883 951537276 /nfs/dbraw/zinc/53/72/76/951537276.db2.gz WCMQCFSLLJEFGE-QMMMGPOBSA-N -1 3 388.363 0.347 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C(N)=O)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575058883 951537287 /nfs/dbraw/zinc/53/72/87/951537287.db2.gz WCMQCFSLLJEFGE-QMMMGPOBSA-N -1 3 388.363 0.347 20 0 GCADHM C[C@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575061193 951555423 /nfs/dbraw/zinc/55/54/23/951555423.db2.gz LHZMZRQHDNRLAX-SNVBAGLBSA-N -1 3 382.432 0.879 20 0 GCADHM C[C@](CNC(=O)c1n[nH]cc1F)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575062117 951566212 /nfs/dbraw/zinc/56/62/12/951566212.db2.gz UDMGJSATKGXYMK-MRXNPFEDSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@](CNC(=O)c1n[nH]cc1F)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575062117 951566221 /nfs/dbraw/zinc/56/62/21/951566221.db2.gz UDMGJSATKGXYMK-MRXNPFEDSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575065891 951589814 /nfs/dbraw/zinc/58/98/14/951589814.db2.gz CLCJHLWIEDKPSZ-LLVKDONJSA-N -1 3 384.448 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575065891 951589825 /nfs/dbraw/zinc/58/98/25/951589825.db2.gz CLCJHLWIEDKPSZ-LLVKDONJSA-N -1 3 384.448 0.863 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575067244 951606757 /nfs/dbraw/zinc/60/67/57/951606757.db2.gz PDOUNGVMDISKBG-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575067244 951606763 /nfs/dbraw/zinc/60/67/63/951606763.db2.gz PDOUNGVMDISKBG-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575067709 951621602 /nfs/dbraw/zinc/62/16/02/951621602.db2.gz OKZLNVGHJDGOSV-QMMMGPOBSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575067709 951621608 /nfs/dbraw/zinc/62/16/08/951621608.db2.gz OKZLNVGHJDGOSV-QMMMGPOBSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575068031 951630029 /nfs/dbraw/zinc/63/00/29/951630029.db2.gz VTEHOXRROLRMRV-NSHDSACASA-N -1 3 384.448 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575068031 951630037 /nfs/dbraw/zinc/63/00/37/951630037.db2.gz VTEHOXRROLRMRV-NSHDSACASA-N -1 3 384.448 0.863 20 0 GCADHM C[C@](CNC(=O)c1nccs1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575068115 951631970 /nfs/dbraw/zinc/63/19/70/951631970.db2.gz XUUOVXSNLXLOBI-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1nccs1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575068115 951631977 /nfs/dbraw/zinc/63/19/77/951631977.db2.gz XUUOVXSNLXLOBI-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@H](CNC(=O)c1scnc1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575069928 951648136 /nfs/dbraw/zinc/64/81/36/951648136.db2.gz NUOJVTTUUTXASS-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1scnc1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575069928 951648140 /nfs/dbraw/zinc/64/81/40/951648140.db2.gz NUOJVTTUUTXASS-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575071196 951656729 /nfs/dbraw/zinc/65/67/29/951656729.db2.gz YCITUZVFUAAEIP-ZETCQYMHSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575071196 951656734 /nfs/dbraw/zinc/65/67/34/951656734.db2.gz YCITUZVFUAAEIP-ZETCQYMHSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575071261 951656753 /nfs/dbraw/zinc/65/67/53/951656753.db2.gz ZEFQONATMOXIIA-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575071261 951656758 /nfs/dbraw/zinc/65/67/58/951656758.db2.gz ZEFQONATMOXIIA-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575071038 951657794 /nfs/dbraw/zinc/65/77/94/951657794.db2.gz XJHUILZZZVNGSX-ZETCQYMHSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575071038 951657799 /nfs/dbraw/zinc/65/77/99/951657799.db2.gz XJHUILZZZVNGSX-ZETCQYMHSA-N -1 3 387.429 0.472 20 0 GCADHM O=C([O-])CN1CCC[C@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1=O ZINC001595085435 951722167 /nfs/dbraw/zinc/72/21/67/951722167.db2.gz VCVABJOMJBQVMM-QGZVFWFLSA-N -1 3 388.468 0.733 20 0 GCADHM C[C@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575116856 951975238 /nfs/dbraw/zinc/97/52/38/951975238.db2.gz JJDKCNSVOVLGQB-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116856 951975248 /nfs/dbraw/zinc/97/52/48/951975248.db2.gz JJDKCNSVOVLGQB-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CNCc1nnn(C(C)(C)C)n1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575117095 951978008 /nfs/dbraw/zinc/97/80/08/951978008.db2.gz LCHGVDVHRNFBQN-JTQLQIEISA-N -1 3 387.452 0.092 20 0 GCADHM C[C@@H](CNCc1nnn(C(C)(C)C)n1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575117095 951978014 /nfs/dbraw/zinc/97/80/14/951978014.db2.gz LCHGVDVHRNFBQN-JTQLQIEISA-N -1 3 387.452 0.092 20 0 GCADHM C[C@@H](CNCc1ncnn1CCF)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575118345 951985773 /nfs/dbraw/zinc/98/57/73/951985773.db2.gz SSLBHKSIDOBDPJ-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM C[C@@H](CNCc1ncnn1CCF)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575118345 951985777 /nfs/dbraw/zinc/98/57/77/951985777.db2.gz SSLBHKSIDOBDPJ-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM C[C@H](CNCc1nnnn1C(C)(C)C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575119644 951990545 /nfs/dbraw/zinc/99/05/45/951990545.db2.gz ZNDIKMKKFBGKKE-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575121114 951992675 /nfs/dbraw/zinc/99/26/75/951992675.db2.gz BMXAYLTZOLRKQG-OAHLLOKOSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575121529 951996055 /nfs/dbraw/zinc/99/60/55/951996055.db2.gz FVBCMKCFPROKAN-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575121529 951996063 /nfs/dbraw/zinc/99/60/63/951996063.db2.gz FVBCMKCFPROKAN-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575121744 951998836 /nfs/dbraw/zinc/99/88/36/951998836.db2.gz GUOMYQOBYLDBPD-QGZVFWFLSA-N -1 3 381.400 0.356 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575121744 951998840 /nfs/dbraw/zinc/99/88/40/951998840.db2.gz GUOMYQOBYLDBPD-QGZVFWFLSA-N -1 3 381.400 0.356 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575122210 952003640 /nfs/dbraw/zinc/00/36/40/952003640.db2.gz KLGZIERQYVPIRA-FZKQIMNGSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575122210 952003646 /nfs/dbraw/zinc/00/36/46/952003646.db2.gz KLGZIERQYVPIRA-FZKQIMNGSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575122703 952005238 /nfs/dbraw/zinc/00/52/38/952005238.db2.gz MXEZEWWPPNVBLE-KPZWWZAWSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575122703 952005249 /nfs/dbraw/zinc/00/52/49/952005249.db2.gz MXEZEWWPPNVBLE-KPZWWZAWSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575122967 952006577 /nfs/dbraw/zinc/00/65/77/952006577.db2.gz BGFACZNLPZFHGR-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575122967 952006581 /nfs/dbraw/zinc/00/65/81/952006581.db2.gz BGFACZNLPZFHGR-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575123007 952009218 /nfs/dbraw/zinc/00/92/18/952009218.db2.gz NEBMXHXXTQCKRS-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575123007 952009229 /nfs/dbraw/zinc/00/92/29/952009229.db2.gz NEBMXHXXTQCKRS-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575124350 952028925 /nfs/dbraw/zinc/02/89/25/952028925.db2.gz HYLWPOLUTVKJEM-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575124350 952028935 /nfs/dbraw/zinc/02/89/35/952028935.db2.gz HYLWPOLUTVKJEM-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575125015 952036715 /nfs/dbraw/zinc/03/67/15/952036715.db2.gz WRHZAGABJIBPJX-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575125015 952036726 /nfs/dbraw/zinc/03/67/26/952036726.db2.gz WRHZAGABJIBPJX-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575125358 952042795 /nfs/dbraw/zinc/04/27/95/952042795.db2.gz XWAKJUHMNMUHOM-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575125358 952042805 /nfs/dbraw/zinc/04/28/05/952042805.db2.gz XWAKJUHMNMUHOM-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575125536 952044545 /nfs/dbraw/zinc/04/45/45/952044545.db2.gz ZVMRVOFTZGJEBA-GXTWGEPZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575125536 952044546 /nfs/dbraw/zinc/04/45/46/952044546.db2.gz ZVMRVOFTZGJEBA-GXTWGEPZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575126445 952051516 /nfs/dbraw/zinc/05/15/16/952051516.db2.gz RUOADFIXAVTVFA-QGZVFWFLSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575126445 952051522 /nfs/dbraw/zinc/05/15/22/952051522.db2.gz RUOADFIXAVTVFA-QGZVFWFLSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575126538 952051880 /nfs/dbraw/zinc/05/18/80/952051880.db2.gz SKHWSHVSQLJDMQ-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575126538 952051891 /nfs/dbraw/zinc/05/18/91/952051891.db2.gz SKHWSHVSQLJDMQ-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575127610 952059371 /nfs/dbraw/zinc/05/93/71/952059371.db2.gz ZBALKQRSKRNGKE-CMPLNLGQSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575127610 952059375 /nfs/dbraw/zinc/05/93/75/952059375.db2.gz ZBALKQRSKRNGKE-CMPLNLGQSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575128448 952067817 /nfs/dbraw/zinc/06/78/17/952067817.db2.gz ITFOHZRUHSFUKD-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575128448 952067832 /nfs/dbraw/zinc/06/78/32/952067832.db2.gz ITFOHZRUHSFUKD-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575129513 952081042 /nfs/dbraw/zinc/08/10/42/952081042.db2.gz UNZXWJGOVPWYRR-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575129513 952081051 /nfs/dbraw/zinc/08/10/51/952081051.db2.gz UNZXWJGOVPWYRR-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575131703 952086973 /nfs/dbraw/zinc/08/69/73/952086973.db2.gz AHOORICBCQWCLI-JTQLQIEISA-N -1 3 386.420 0.279 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575131703 952086981 /nfs/dbraw/zinc/08/69/81/952086981.db2.gz AHOORICBCQWCLI-JTQLQIEISA-N -1 3 386.420 0.279 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575135155 952115153 /nfs/dbraw/zinc/11/51/53/952115153.db2.gz KJDNVWPTECODQP-VIFPVBQESA-N -1 3 382.421 0.309 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575135155 952115160 /nfs/dbraw/zinc/11/51/60/952115160.db2.gz KJDNVWPTECODQP-VIFPVBQESA-N -1 3 382.421 0.309 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575135226 952115502 /nfs/dbraw/zinc/11/55/02/952115502.db2.gz LHDVPQMAKVORSE-QWRGUYRKSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575135226 952115506 /nfs/dbraw/zinc/11/55/06/952115506.db2.gz LHDVPQMAKVORSE-QWRGUYRKSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CN1CCCC1=O ZINC001575135165 952115629 /nfs/dbraw/zinc/11/56/29/952115629.db2.gz KLXCURYLROPSBE-NSHDSACASA-N -1 3 375.408 0.887 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CN1CCCC1=O ZINC001575135165 952115635 /nfs/dbraw/zinc/11/56/35/952115635.db2.gz KLXCURYLROPSBE-NSHDSACASA-N -1 3 375.408 0.887 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575135153 952116164 /nfs/dbraw/zinc/11/61/64/952116164.db2.gz KJDNVWPTECODQP-SECBINFHSA-N -1 3 382.421 0.309 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575135153 952116170 /nfs/dbraw/zinc/11/61/70/952116170.db2.gz KJDNVWPTECODQP-SECBINFHSA-N -1 3 382.421 0.309 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CCS(C)(=O)=O ZINC001575136414 952125406 /nfs/dbraw/zinc/12/54/06/952125406.db2.gz OZNOWHUHZWEBQK-SNVBAGLBSA-N -1 3 384.437 0.699 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CCS(C)(=O)=O ZINC001575136414 952125413 /nfs/dbraw/zinc/12/54/13/952125413.db2.gz OZNOWHUHZWEBQK-SNVBAGLBSA-N -1 3 384.437 0.699 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CN1CCOCC1 ZINC001575136870 952129681 /nfs/dbraw/zinc/12/96/81/952129681.db2.gz QJGSBHCARATKCJ-LBPRGKRZSA-N -1 3 377.424 0.597 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CN1CCOCC1 ZINC001575136870 952129686 /nfs/dbraw/zinc/12/96/86/952129686.db2.gz QJGSBHCARATKCJ-LBPRGKRZSA-N -1 3 377.424 0.597 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CCN1CCOCC1 ZINC001575136877 952129985 /nfs/dbraw/zinc/12/99/85/952129985.db2.gz QOFZQOCEYORUES-CYBMUJFWSA-N -1 3 391.451 0.987 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CCN1CCOCC1 ZINC001575136877 952129989 /nfs/dbraw/zinc/12/99/89/952129989.db2.gz QOFZQOCEYORUES-CYBMUJFWSA-N -1 3 391.451 0.987 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575137262 952136459 /nfs/dbraw/zinc/13/64/59/952136459.db2.gz VZJSSRGUXRJTEB-KRWDZBQOSA-N -1 3 390.423 0.761 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575137262 952136463 /nfs/dbraw/zinc/13/64/63/952136463.db2.gz VZJSSRGUXRJTEB-KRWDZBQOSA-N -1 3 390.423 0.761 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575137336 952137043 /nfs/dbraw/zinc/13/70/43/952137043.db2.gz WTDWPWMGUGDLRS-UWVGGRQHSA-N -1 3 384.437 0.698 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575137336 952137049 /nfs/dbraw/zinc/13/70/49/952137049.db2.gz WTDWPWMGUGDLRS-UWVGGRQHSA-N -1 3 384.437 0.698 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575137406 952138705 /nfs/dbraw/zinc/13/87/05/952138705.db2.gz XZRVRPXCXMRNPW-FZKQIMNGSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575137406 952138710 /nfs/dbraw/zinc/13/87/10/952138710.db2.gz XZRVRPXCXMRNPW-FZKQIMNGSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@@](CNc1ccnc(-c2nnn[n-]2)n1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575143797 952158415 /nfs/dbraw/zinc/15/84/15/952158415.db2.gz RXNWQHLLJVAZSX-KRWDZBQOSA-N -1 3 382.432 0.131 20 0 GCADHM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575143797 952158420 /nfs/dbraw/zinc/15/84/20/952158420.db2.gz RXNWQHLLJVAZSX-KRWDZBQOSA-N -1 3 382.432 0.131 20 0 GCADHM C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001575144417 952165949 /nfs/dbraw/zinc/16/59/49/952165949.db2.gz VJLHAVLOVGQRPW-LBPRGKRZSA-N -1 3 375.481 0.315 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575154173 952216903 /nfs/dbraw/zinc/21/69/03/952216903.db2.gz PNJIDGYBONOFFE-QWRGUYRKSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575163552 952279897 /nfs/dbraw/zinc/27/98/97/952279897.db2.gz DBZQJLKDWOUWEK-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575163552 952279904 /nfs/dbraw/zinc/27/99/04/952279904.db2.gz DBZQJLKDWOUWEK-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575163565 952280521 /nfs/dbraw/zinc/28/05/21/952280521.db2.gz DIKYEZPENRAYQD-MRVPVSSYSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575163565 952280529 /nfs/dbraw/zinc/28/05/29/952280529.db2.gz DIKYEZPENRAYQD-MRVPVSSYSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575163551 952280831 /nfs/dbraw/zinc/28/08/31/952280831.db2.gz DBZQJLKDWOUWEK-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575163551 952280840 /nfs/dbraw/zinc/28/08/40/952280840.db2.gz DBZQJLKDWOUWEK-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575163717 952282014 /nfs/dbraw/zinc/28/20/14/952282014.db2.gz FCJPKCXIEBVZIC-GHMZBOCLSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575163717 952282023 /nfs/dbraw/zinc/28/20/23/952282023.db2.gz FCJPKCXIEBVZIC-GHMZBOCLSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575163757 952282610 /nfs/dbraw/zinc/28/26/10/952282610.db2.gz FZFJOIUWERZLID-ACJLOTCBSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575163757 952282616 /nfs/dbraw/zinc/28/26/16/952282616.db2.gz FZFJOIUWERZLID-ACJLOTCBSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575163808 952283502 /nfs/dbraw/zinc/28/35/02/952283502.db2.gz GNNVASPWJGOTDO-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575163808 952283507 /nfs/dbraw/zinc/28/35/07/952283507.db2.gz GNNVASPWJGOTDO-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575163777 952283824 /nfs/dbraw/zinc/28/38/24/952283824.db2.gz GEHUESXSDBOBES-VHSXEESVSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575163777 952283829 /nfs/dbraw/zinc/28/38/29/952283829.db2.gz GEHUESXSDBOBES-VHSXEESVSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1cn(C)nn1 ZINC001575164046 952285961 /nfs/dbraw/zinc/28/59/61/952285961.db2.gz BEIWJHBOMYTTAW-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1cn(C)nn1 ZINC001575164046 952285968 /nfs/dbraw/zinc/28/59/68/952285968.db2.gz BEIWJHBOMYTTAW-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575164002 952286318 /nfs/dbraw/zinc/28/63/18/952286318.db2.gz HDDBUTHLSKSQAK-QWRGUYRKSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575164002 952286323 /nfs/dbraw/zinc/28/63/23/952286323.db2.gz HDDBUTHLSKSQAK-QWRGUYRKSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCCC(=O)N(C)C ZINC001575164197 952288364 /nfs/dbraw/zinc/28/83/64/952288364.db2.gz JNIREHURGZKDQV-NSHDSACASA-N -1 3 392.439 0.918 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCCC(=O)N(C)C ZINC001575164197 952288371 /nfs/dbraw/zinc/28/83/71/952288371.db2.gz JNIREHURGZKDQV-NSHDSACASA-N -1 3 392.439 0.918 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CN1CCCC1=O ZINC001575164256 952290136 /nfs/dbraw/zinc/29/01/36/952290136.db2.gz JVCKJTOMTIKPGD-JTQLQIEISA-N -1 3 376.396 0.282 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CN1CCCC1=O ZINC001575164256 952290144 /nfs/dbraw/zinc/29/01/44/952290144.db2.gz JVCKJTOMTIKPGD-JTQLQIEISA-N -1 3 376.396 0.282 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575164531 952294881 /nfs/dbraw/zinc/29/48/81/952294881.db2.gz MCSJXISSFLQRIH-SECBINFHSA-N -1 3 389.395 0.011 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575164531 952294885 /nfs/dbraw/zinc/29/48/85/952294885.db2.gz MCSJXISSFLQRIH-SECBINFHSA-N -1 3 389.395 0.011 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575164700 952297141 /nfs/dbraw/zinc/29/71/41/952297141.db2.gz GQPAFBVUWHFOEG-QMMMGPOBSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575164700 952297145 /nfs/dbraw/zinc/29/71/45/952297145.db2.gz GQPAFBVUWHFOEG-QMMMGPOBSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575164651 952297705 /nfs/dbraw/zinc/29/77/05/952297705.db2.gz MLEUKCTZNXPQKU-OAHLLOKOSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575164651 952297711 /nfs/dbraw/zinc/29/77/11/952297711.db2.gz MLEUKCTZNXPQKU-OAHLLOKOSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575164737 952298769 /nfs/dbraw/zinc/29/87/69/952298769.db2.gz NUOVUQCQSHABCR-MXWKQRLJSA-N -1 3 390.423 0.561 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575164737 952298777 /nfs/dbraw/zinc/29/87/77/952298777.db2.gz NUOVUQCQSHABCR-MXWKQRLJSA-N -1 3 390.423 0.561 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575165047 952302605 /nfs/dbraw/zinc/30/26/05/952302605.db2.gz QJBXJMSLTCFWRO-FVMDXXJSSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575165047 952302612 /nfs/dbraw/zinc/30/26/12/952302612.db2.gz QJBXJMSLTCFWRO-FVMDXXJSSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575165335 952307506 /nfs/dbraw/zinc/30/75/06/952307506.db2.gz NKASJTTVVVBXJD-QMMMGPOBSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575165335 952307511 /nfs/dbraw/zinc/30/75/11/952307511.db2.gz NKASJTTVVVBXJD-QMMMGPOBSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575165375 952308902 /nfs/dbraw/zinc/30/89/02/952308902.db2.gz SGKXHFORULDQHR-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575165375 952308910 /nfs/dbraw/zinc/30/89/10/952308910.db2.gz SGKXHFORULDQHR-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575165935 952317206 /nfs/dbraw/zinc/31/72/06/952317206.db2.gz XEQKWAVVIVPUKO-MFKMUULPSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575165935 952317213 /nfs/dbraw/zinc/31/72/13/952317213.db2.gz XEQKWAVVIVPUKO-MFKMUULPSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575165981 952317225 /nfs/dbraw/zinc/31/72/25/952317225.db2.gz RMSHHHIDTWZBCD-SJKOYZFVSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575165981 952317233 /nfs/dbraw/zinc/31/72/33/952317233.db2.gz RMSHHHIDTWZBCD-SJKOYZFVSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575165937 952317441 /nfs/dbraw/zinc/31/74/41/952317441.db2.gz XEQKWAVVIVPUKO-ZWNOBZJWSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575165937 952317453 /nfs/dbraw/zinc/31/74/53/952317453.db2.gz XEQKWAVVIVPUKO-ZWNOBZJWSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575166128 952320914 /nfs/dbraw/zinc/32/09/14/952320914.db2.gz YPVHHUWKYYWXJU-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575166128 952320920 /nfs/dbraw/zinc/32/09/20/952320920.db2.gz YPVHHUWKYYWXJU-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1nccnc1N ZINC001575166251 952321357 /nfs/dbraw/zinc/32/13/57/952321357.db2.gz UEADQKWNUFPWRW-QMMMGPOBSA-N -1 3 388.823 0.860 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1nccnc1N ZINC001575166251 952321366 /nfs/dbraw/zinc/32/13/66/952321366.db2.gz UEADQKWNUFPWRW-QMMMGPOBSA-N -1 3 388.823 0.860 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575166290 952324104 /nfs/dbraw/zinc/32/41/04/952324104.db2.gz UTRVKGMVKJBYHY-GMSGAONNSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575166290 952324110 /nfs/dbraw/zinc/32/41/10/952324110.db2.gz UTRVKGMVKJBYHY-GMSGAONNSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575166292 952324746 /nfs/dbraw/zinc/32/47/46/952324746.db2.gz UTRVKGMVKJBYHY-XCBNKYQSSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575166292 952324755 /nfs/dbraw/zinc/32/47/55/952324755.db2.gz UTRVKGMVKJBYHY-XCBNKYQSSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575167548 952338186 /nfs/dbraw/zinc/33/81/86/952338186.db2.gz HVROFRXKWRMUIG-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575167548 952338195 /nfs/dbraw/zinc/33/81/95/952338195.db2.gz HVROFRXKWRMUIG-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575168799 952345186 /nfs/dbraw/zinc/34/51/86/952345186.db2.gz NBVFNYKDWBEEDJ-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575168799 952345193 /nfs/dbraw/zinc/34/51/93/952345193.db2.gz NBVFNYKDWBEEDJ-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575169297 952347136 /nfs/dbraw/zinc/34/71/36/952347136.db2.gz QFPBUCDGJYVGFT-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575169297 952347141 /nfs/dbraw/zinc/34/71/41/952347141.db2.gz QFPBUCDGJYVGFT-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575170054 952352604 /nfs/dbraw/zinc/35/26/04/952352604.db2.gz WDRSAWNFBBZIJE-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575170054 952352611 /nfs/dbraw/zinc/35/26/11/952352611.db2.gz WDRSAWNFBBZIJE-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575170035 952352953 /nfs/dbraw/zinc/35/29/53/952352953.db2.gz VVSUEHGCWZQXRA-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575170035 952352960 /nfs/dbraw/zinc/35/29/60/952352960.db2.gz VVSUEHGCWZQXRA-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575170040 952353078 /nfs/dbraw/zinc/35/30/78/952353078.db2.gz VXJCQCSMBXFWQS-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575170040 952353086 /nfs/dbraw/zinc/35/30/86/952353086.db2.gz VXJCQCSMBXFWQS-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575170339 952354559 /nfs/dbraw/zinc/35/45/59/952354559.db2.gz XKFQAKZVLSZYCQ-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575170339 952354564 /nfs/dbraw/zinc/35/45/64/952354564.db2.gz XKFQAKZVLSZYCQ-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1noc2c1COCC2 ZINC001575173861 952358213 /nfs/dbraw/zinc/35/82/13/952358213.db2.gz BNQZWPAIFURFRG-SNVBAGLBSA-N -1 3 384.400 0.895 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1noc2c1COCC2 ZINC001575173861 952358218 /nfs/dbraw/zinc/35/82/18/952358218.db2.gz BNQZWPAIFURFRG-SNVBAGLBSA-N -1 3 384.400 0.895 20 0 GCADHM C[C@H](CNc1snc(Cl)c1-c1nnn[n-]1)N(C)C(=O)Cc1nnc[nH]1 ZINC001575174647 952377065 /nfs/dbraw/zinc/37/70/65/952377065.db2.gz BOZGJURPSXUVOI-ZCFIWIBFSA-N -1 3 382.841 0.596 20 0 GCADHM CC(CO)(CO)CNC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001575180150 952415804 /nfs/dbraw/zinc/41/58/04/952415804.db2.gz SCNDELXYIFFAIO-UHFFFAOYSA-N -1 3 389.460 0.126 20 0 GCADHM CC(CO)(CO)CNC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001575180150 952415809 /nfs/dbraw/zinc/41/58/09/952415809.db2.gz SCNDELXYIFFAIO-UHFFFAOYSA-N -1 3 389.460 0.126 20 0 GCADHM C[C@H](CNc1ncnc2c1ncn2C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575180688 952419521 /nfs/dbraw/zinc/41/95/21/952419521.db2.gz WRVPSTJRMSHEND-SECBINFHSA-N -1 3 381.404 0.444 20 0 GCADHM C[C@H](CNc1ncnc2c1ncn2C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575180688 952419526 /nfs/dbraw/zinc/41/95/26/952419526.db2.gz WRVPSTJRMSHEND-SECBINFHSA-N -1 3 381.404 0.444 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575184697 952421984 /nfs/dbraw/zinc/42/19/84/952421984.db2.gz AGAWTQCEUUHXAM-GFCCVEGCSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575184697 952421987 /nfs/dbraw/zinc/42/19/87/952421987.db2.gz AGAWTQCEUUHXAM-GFCCVEGCSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575184747 952422712 /nfs/dbraw/zinc/42/27/12/952422712.db2.gz BLVFYLWYIYQNNK-QWRGUYRKSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575184747 952422715 /nfs/dbraw/zinc/42/27/15/952422715.db2.gz BLVFYLWYIYQNNK-QWRGUYRKSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001575185075 952427754 /nfs/dbraw/zinc/42/77/54/952427754.db2.gz KMZLSPLVWYFHDN-GFCCVEGCSA-N -1 3 392.423 0.822 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001575185075 952427761 /nfs/dbraw/zinc/42/77/61/952427761.db2.gz KMZLSPLVWYFHDN-GFCCVEGCSA-N -1 3 392.423 0.822 20 0 GCADHM C[C@H](CS(=O)(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1)C1CC1 ZINC001575185139 952429197 /nfs/dbraw/zinc/42/91/97/952429197.db2.gz LPDPHJYOXOROCT-GFCCVEGCSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@H](CS(=O)(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1)C1CC1 ZINC001575185139 952429200 /nfs/dbraw/zinc/42/92/00/952429200.db2.gz LPDPHJYOXOROCT-GFCCVEGCSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001575185346 952433150 /nfs/dbraw/zinc/43/31/50/952433150.db2.gz PRXIJIVTDNKFFV-WDEREUQCSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001575185346 952433153 /nfs/dbraw/zinc/43/31/53/952433153.db2.gz PRXIJIVTDNKFFV-WDEREUQCSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575185761 952434872 /nfs/dbraw/zinc/43/48/72/952434872.db2.gz VUNZLQDEYZWBBY-GFCCVEGCSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575185761 952434876 /nfs/dbraw/zinc/43/48/76/952434876.db2.gz VUNZLQDEYZWBBY-GFCCVEGCSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001575188845 952449861 /nfs/dbraw/zinc/44/98/61/952449861.db2.gz KNAUNJUVTOODEU-SNVBAGLBSA-N -1 3 387.425 0.878 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001575188845 952449864 /nfs/dbraw/zinc/44/98/64/952449864.db2.gz KNAUNJUVTOODEU-SNVBAGLBSA-N -1 3 387.425 0.878 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001575189054 952453941 /nfs/dbraw/zinc/45/39/41/952453941.db2.gz NACHSLSKCHHPHP-ZDUSSCGKSA-N -1 3 385.428 0.966 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001575189054 952453948 /nfs/dbraw/zinc/45/39/48/952453948.db2.gz NACHSLSKCHHPHP-ZDUSSCGKSA-N -1 3 385.428 0.966 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575189410 952457057 /nfs/dbraw/zinc/45/70/57/952457057.db2.gz OLVQKFQJCDKASU-OLZOCXBDSA-N -1 3 385.428 0.965 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575189410 952457061 /nfs/dbraw/zinc/45/70/61/952457061.db2.gz OLVQKFQJCDKASU-OLZOCXBDSA-N -1 3 385.428 0.965 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575189409 952457086 /nfs/dbraw/zinc/45/70/86/952457086.db2.gz OLVQKFQJCDKASU-CHWSQXEVSA-N -1 3 385.428 0.965 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575189409 952457089 /nfs/dbraw/zinc/45/70/89/952457089.db2.gz OLVQKFQJCDKASU-CHWSQXEVSA-N -1 3 385.428 0.965 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001571114685 952458967 /nfs/dbraw/zinc/45/89/67/952458967.db2.gz LRFBERWUEMPODZ-MNOVXSKESA-N -1 3 375.282 0.968 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)c(F)c1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001571114685 952458971 /nfs/dbraw/zinc/45/89/71/952458971.db2.gz LRFBERWUEMPODZ-MNOVXSKESA-N -1 3 375.282 0.968 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571114762 952460627 /nfs/dbraw/zinc/46/06/27/952460627.db2.gz OAFDICRVDMEFAE-UHFFFAOYSA-N -1 3 375.389 0.296 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571114762 952460633 /nfs/dbraw/zinc/46/06/33/952460633.db2.gz OAFDICRVDMEFAE-UHFFFAOYSA-N -1 3 375.389 0.296 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@](C)(Cn1cccn1)C(N)=O ZINC001575190488 952463251 /nfs/dbraw/zinc/46/32/51/952463251.db2.gz SWTPYBIOBORBKO-KPZWWZAWSA-N -1 3 382.428 0.302 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@](C)(Cn1cccn1)C(N)=O ZINC001575190488 952463252 /nfs/dbraw/zinc/46/32/52/952463252.db2.gz SWTPYBIOBORBKO-KPZWWZAWSA-N -1 3 382.428 0.302 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1=COCCO1 ZINC001571115564 952467596 /nfs/dbraw/zinc/46/75/96/952467596.db2.gz YCCRYDCGIJQING-LLVKDONJSA-N -1 3 375.364 0.374 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1=COCCO1 ZINC001571115564 952467597 /nfs/dbraw/zinc/46/75/97/952467597.db2.gz YCCRYDCGIJQING-LLVKDONJSA-N -1 3 375.364 0.374 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)C1=COCCO1 ZINC001571115643 952468922 /nfs/dbraw/zinc/46/89/22/952468922.db2.gz YXERFTXORAUTHA-CABZTGNLSA-N -1 3 375.364 0.690 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)C1=COCCO1 ZINC001571115643 952468924 /nfs/dbraw/zinc/46/89/24/952468924.db2.gz YXERFTXORAUTHA-CABZTGNLSA-N -1 3 375.364 0.690 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575195884 952472807 /nfs/dbraw/zinc/47/28/07/952472807.db2.gz CQJFZNGCTLNPLP-NWDGAFQWSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575195884 952472815 /nfs/dbraw/zinc/47/28/15/952472815.db2.gz CQJFZNGCTLNPLP-NWDGAFQWSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575196570 952475228 /nfs/dbraw/zinc/47/52/28/952475228.db2.gz HGBVZDWUVXKRRY-JQWIXIFHSA-N -1 3 389.391 0.762 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575196570 952475233 /nfs/dbraw/zinc/47/52/33/952475233.db2.gz HGBVZDWUVXKRRY-JQWIXIFHSA-N -1 3 389.391 0.762 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCC(=O)NC1 ZINC001571116601 952475598 /nfs/dbraw/zinc/47/55/98/952475598.db2.gz ADYIVXOTYLSMMZ-WDEREUQCSA-N -1 3 375.458 0.145 20 0 GCADHM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC001571116618 952475698 /nfs/dbraw/zinc/47/56/98/952475698.db2.gz ANCZAZNTZRQHBJ-GRYCIOLGSA-N -1 3 375.458 0.990 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575196568 952475828 /nfs/dbraw/zinc/47/58/28/952475828.db2.gz HGBVZDWUVXKRRY-CMPLNLGQSA-N -1 3 389.391 0.762 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575196568 952475831 /nfs/dbraw/zinc/47/58/31/952475831.db2.gz HGBVZDWUVXKRRY-CMPLNLGQSA-N -1 3 389.391 0.762 20 0 GCADHM Cc1nsc(NCC[C@@H]2CCN(C(=O)c3cnon3)C2)c1-c1nnn[n-]1 ZINC001571116667 952476585 /nfs/dbraw/zinc/47/65/85/952476585.db2.gz BUXZPVPFGYCXNX-SECBINFHSA-N -1 3 375.418 0.979 20 0 GCADHM CC[C@H](OC)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571116683 952476599 /nfs/dbraw/zinc/47/65/99/952476599.db2.gz CAVIKUAQKNRPDE-FZMZJTMJSA-N -1 3 375.433 0.683 20 0 GCADHM CC[C@H](OC)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571116683 952476603 /nfs/dbraw/zinc/47/66/03/952476603.db2.gz CAVIKUAQKNRPDE-FZMZJTMJSA-N -1 3 375.433 0.683 20 0 GCADHM CC[C@@H](OC)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571116682 952476837 /nfs/dbraw/zinc/47/68/37/952476837.db2.gz CAVIKUAQKNRPDE-BXUZGUMPSA-N -1 3 375.433 0.683 20 0 GCADHM CC[C@@H](OC)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571116682 952476841 /nfs/dbraw/zinc/47/68/41/952476841.db2.gz CAVIKUAQKNRPDE-BXUZGUMPSA-N -1 3 375.433 0.683 20 0 GCADHM CSCC(=O)N1CC[C@]2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCC[C@@H]12 ZINC001571116671 952476943 /nfs/dbraw/zinc/47/69/43/952476943.db2.gz BWAQFQRWFXSTIB-MLGOLLRUSA-N -1 3 375.458 0.811 20 0 GCADHM CSCC(=O)N1CC[C@]2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC[C@@H]12 ZINC001571116671 952476949 /nfs/dbraw/zinc/47/69/49/952476949.db2.gz BWAQFQRWFXSTIB-MLGOLLRUSA-N -1 3 375.458 0.811 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001575196824 952477140 /nfs/dbraw/zinc/47/71/40/952477140.db2.gz JKVZTVAYMBPERC-KCPJHIHWSA-N -1 3 383.412 0.399 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001575196824 952477143 /nfs/dbraw/zinc/47/71/43/952477143.db2.gz JKVZTVAYMBPERC-KCPJHIHWSA-N -1 3 383.412 0.399 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575196864 952477596 /nfs/dbraw/zinc/47/75/96/952477596.db2.gz KGLICRGBJCXRLZ-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575196864 952477606 /nfs/dbraw/zinc/47/76/06/952477606.db2.gz KGLICRGBJCXRLZ-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)[C@H]1CCCOC1 ZINC001571116810 952477936 /nfs/dbraw/zinc/47/79/36/952477936.db2.gz CZQNAWYBVPCTLR-WCQYABFASA-N -1 3 375.408 0.912 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)[C@H]1CCCOC1 ZINC001571116810 952477939 /nfs/dbraw/zinc/47/79/39/952477939.db2.gz CZQNAWYBVPCTLR-WCQYABFASA-N -1 3 375.408 0.912 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571117076 952479370 /nfs/dbraw/zinc/47/93/70/952479370.db2.gz GNRYHKPEBVTAEJ-CYBMUJFWSA-N -1 3 375.408 0.863 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571117076 952479375 /nfs/dbraw/zinc/47/93/75/952479375.db2.gz GNRYHKPEBVTAEJ-CYBMUJFWSA-N -1 3 375.408 0.863 20 0 GCADHM Cc1nsc(N2CCC[C@@H](NC(=O)c3cnon3)CC2)c1-c1nnn[n-]1 ZINC001571117303 952480583 /nfs/dbraw/zinc/48/05/83/952480583.db2.gz IUDUILLLVREZRF-SECBINFHSA-N -1 3 375.418 0.804 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](F)C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571117177 952481226 /nfs/dbraw/zinc/48/12/26/952481226.db2.gz IBRNOTWJZOIEQX-DJIHRAIXSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](F)C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571117177 952481227 /nfs/dbraw/zinc/48/12/27/952481227.db2.gz IBRNOTWJZOIEQX-DJIHRAIXSA-N -1 3 375.408 0.958 20 0 GCADHM Cn1c(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)ccc1-c1nnn[n-]1 ZINC001571117518 952481732 /nfs/dbraw/zinc/48/17/32/952481732.db2.gz LWRCUKBZNHOPDD-UHFFFAOYSA-N -1 3 375.414 0.507 20 0 GCADHM Cn1c(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)ccc1-c1nn[n-]n1 ZINC001571117518 952481734 /nfs/dbraw/zinc/48/17/34/952481734.db2.gz LWRCUKBZNHOPDD-UHFFFAOYSA-N -1 3 375.414 0.507 20 0 GCADHM Cc1nsc(N2CC[C@@](C)(NC(=O)[C@]34C[C@H]3COC4)C2)c1-c1nnn[n-]1 ZINC001571117585 952483481 /nfs/dbraw/zinc/48/34/81/952483481.db2.gz NKFOSUSEWJIEJL-JQAFLVLXSA-N -1 3 375.458 0.753 20 0 GCADHM COCc1cc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)no1 ZINC001571117563 952483600 /nfs/dbraw/zinc/48/36/00/952483600.db2.gz NEKOBXVNSQJSRT-UHFFFAOYSA-N -1 3 375.414 0.677 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571117785 952484188 /nfs/dbraw/zinc/48/41/88/952484188.db2.gz QPPAPAMZIYIZDG-GYSYKLTISA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCOC2)CCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571117785 952484190 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/nfs/dbraw/zinc/51/53/67/952515367.db2.gz WHXNAVJIMRDDJM-UHFFFAOYSA-N -1 3 376.398 0.870 20 0 GCADHM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)n2C)cc1S(C)(=O)=O ZINC001571121096 952515371 /nfs/dbraw/zinc/51/53/71/952515371.db2.gz WHXNAVJIMRDDJM-UHFFFAOYSA-N -1 3 376.398 0.870 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001575203075 952518277 /nfs/dbraw/zinc/51/82/77/952518277.db2.gz ZNYSCWGVCSAVHH-AAEUAGOBSA-N -1 3 384.448 0.811 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001575203075 952518279 /nfs/dbraw/zinc/51/82/79/952518279.db2.gz ZNYSCWGVCSAVHH-AAEUAGOBSA-N -1 3 384.448 0.811 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575203115 952518715 /nfs/dbraw/zinc/51/87/15/952518715.db2.gz ZUAJNMNODMESQE-WCQYABFASA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)[C@H](C)C1 ZINC001575203380 952521182 /nfs/dbraw/zinc/52/11/82/952521182.db2.gz VHCROQJVQLWRKJ-JHJVBQTASA-N -1 3 396.459 0.187 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1 ZINC001575203380 952521184 /nfs/dbraw/zinc/52/11/84/952521184.db2.gz VHCROQJVQLWRKJ-JHJVBQTASA-N -1 3 396.459 0.187 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575203444 952522760 /nfs/dbraw/zinc/52/27/60/952522760.db2.gz XGYLCKQNZRMBKG-AAEUAGOBSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575203445 952522984 /nfs/dbraw/zinc/52/29/84/952522984.db2.gz XGYLCKQNZRMBKG-DGCLKSJQSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001575203490 952523685 /nfs/dbraw/zinc/52/36/85/952523685.db2.gz YMLLGCKYTFEDDC-WCQYABFASA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001575203490 952523693 /nfs/dbraw/zinc/52/36/93/952523693.db2.gz YMLLGCKYTFEDDC-WCQYABFASA-N -1 3 382.432 0.296 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001571122250 952523904 /nfs/dbraw/zinc/52/39/04/952523904.db2.gz HRERZNGTWTZDQV-UHFFFAOYSA-N -1 3 376.764 0.434 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001571122250 952523913 /nfs/dbraw/zinc/52/39/13/952523913.db2.gz HRERZNGTWTZDQV-UHFFFAOYSA-N -1 3 376.764 0.434 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575203536 952524484 /nfs/dbraw/zinc/52/44/84/952524484.db2.gz ZLTVRFSWXRXXAR-SLEUVZQESA-N -1 3 394.443 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575203536 952524489 /nfs/dbraw/zinc/52/44/89/952524489.db2.gz ZLTVRFSWXRXXAR-SLEUVZQESA-N -1 3 394.443 0.296 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575205921 952526869 /nfs/dbraw/zinc/52/68/69/952526869.db2.gz FXZAQOBYSHOJDL-GFCCVEGCSA-N -1 3 381.444 0.935 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575205921 952526874 /nfs/dbraw/zinc/52/68/74/952526874.db2.gz FXZAQOBYSHOJDL-GFCCVEGCSA-N -1 3 381.444 0.935 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001575206445 952529293 /nfs/dbraw/zinc/52/92/93/952529293.db2.gz JMKPAKLRNQJUAA-LBPRGKRZSA-N -1 3 393.415 0.913 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001575206445 952529297 /nfs/dbraw/zinc/52/92/97/952529297.db2.gz JMKPAKLRNQJUAA-LBPRGKRZSA-N -1 3 393.415 0.913 20 0 GCADHM NC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571123398 952530152 /nfs/dbraw/zinc/53/01/52/952530152.db2.gz RGAZMFNRNFEGLN-BBRMVZONSA-N -1 3 376.442 0.284 20 0 GCADHM NC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)Cc1ccc(-c3nn[n-]n3)cc1)C2 ZINC001571123398 952530156 /nfs/dbraw/zinc/53/01/56/952530156.db2.gz RGAZMFNRNFEGLN-BBRMVZONSA-N -1 3 376.442 0.284 20 0 GCADHM CC(F)(F)C(=O)N1CC2(C1)CCCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001575207112 952532627 /nfs/dbraw/zinc/53/26/27/952532627.db2.gz NRJLEKSHTVTBPN-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)C(=O)N1CC2(C1)CCCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001575207112 952532632 /nfs/dbraw/zinc/53/26/32/952532632.db2.gz NRJLEKSHTVTBPN-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM C[C@](Cn1cccn1)(NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC001575207152 952532729 /nfs/dbraw/zinc/53/27/29/952532729.db2.gz OERLNFDZSQCHEP-PMUMKWKESA-N -1 3 380.412 0.227 20 0 GCADHM C[C@](Cn1cccn1)(NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001575207152 952532731 /nfs/dbraw/zinc/53/27/31/952532731.db2.gz OERLNFDZSQCHEP-PMUMKWKESA-N -1 3 380.412 0.227 20 0 GCADHM C[C@@](Cn1cccn1)(NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C(N)=O ZINC001575207828 952534297 /nfs/dbraw/zinc/53/42/97/952534297.db2.gz SWHCRJTZCKQALX-KRWDZBQOSA-N -1 3 394.399 0.147 20 0 GCADHM C[C@@](Cn1cccn1)(NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C(N)=O ZINC001575207828 952534300 /nfs/dbraw/zinc/53/43/00/952534300.db2.gz SWHCRJTZCKQALX-KRWDZBQOSA-N -1 3 394.399 0.147 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575207834 952534665 /nfs/dbraw/zinc/53/46/65/952534665.db2.gz TUPDKGIXYYXUDF-CQDKDKBSSA-N -1 3 381.444 0.933 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575207834 952534672 /nfs/dbraw/zinc/53/46/72/952534672.db2.gz TUPDKGIXYYXUDF-CQDKDKBSSA-N -1 3 381.444 0.933 20 0 GCADHM NC(=O)c1cccc2c1CCN([C@@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571124222 952534795 /nfs/dbraw/zinc/53/47/95/952534795.db2.gz BMEZQIYGALDMRR-MRXNPFEDSA-N -1 3 377.408 0.550 20 0 GCADHM NC(=O)c1cccc2c1CCN([C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001571124222 952534802 /nfs/dbraw/zinc/53/48/02/952534802.db2.gz BMEZQIYGALDMRR-MRXNPFEDSA-N -1 3 377.408 0.550 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(F)F ZINC001571124309 952536624 /nfs/dbraw/zinc/53/66/24/952536624.db2.gz FGRWWYUGYCKIMJ-OUAUKWLOSA-N -1 3 377.355 0.665 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(F)F ZINC001571124309 952536626 /nfs/dbraw/zinc/53/66/26/952536626.db2.gz FGRWWYUGYCKIMJ-OUAUKWLOSA-N -1 3 377.355 0.665 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001575210684 952539867 /nfs/dbraw/zinc/53/98/67/952539867.db2.gz FVLDLQIWFKRCGJ-SECBINFHSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001575210684 952539872 /nfs/dbraw/zinc/53/98/72/952539872.db2.gz FVLDLQIWFKRCGJ-SECBINFHSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1 ZINC001575211200 952544498 /nfs/dbraw/zinc/54/44/98/952544498.db2.gz OYEYUBAZRCUUMR-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1 ZINC001575211200 952544502 /nfs/dbraw/zinc/54/45/02/952544502.db2.gz OYEYUBAZRCUUMR-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001575211094 952544691 /nfs/dbraw/zinc/54/46/91/952544691.db2.gz MWCURWXQSDFSKE-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001575211094 952544695 /nfs/dbraw/zinc/54/46/95/952544695.db2.gz MWCURWXQSDFSKE-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571124828 952545678 /nfs/dbraw/zinc/54/56/78/952545678.db2.gz VWRMMDWHQIUHCR-UHFFFAOYSA-N -1 3 377.390 0.147 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571124828 952545680 /nfs/dbraw/zinc/54/56/80/952545680.db2.gz VWRMMDWHQIUHCR-UHFFFAOYSA-N -1 3 377.390 0.147 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1COCCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575211252 952545928 /nfs/dbraw/zinc/54/59/28/952545928.db2.gz PSHSDDNZKUMZDH-LBPRGKRZSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1COCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575211252 952545932 /nfs/dbraw/zinc/54/59/32/952545932.db2.gz PSHSDDNZKUMZDH-LBPRGKRZSA-N -1 3 384.362 0.978 20 0 GCADHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1coc(CS(C)(=O)=O)n1 ZINC001571125003 952546315 /nfs/dbraw/zinc/54/63/15/952546315.db2.gz XZGUWNVKPLJRRL-UHFFFAOYSA-N -1 3 377.386 0.693 20 0 GCADHM O=C(CO[C@H]1CCOC1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571125070 952547856 /nfs/dbraw/zinc/54/78/56/952547856.db2.gz ZVNZXYPDVNVKKG-NEPJUHHUSA-N -1 3 377.380 0.219 20 0 GCADHM O=C(CO[C@H]1CCOC1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571125070 952547859 /nfs/dbraw/zinc/54/78/59/952547859.db2.gz ZVNZXYPDVNVKKG-NEPJUHHUSA-N -1 3 377.380 0.219 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCO1 ZINC001575211623 952548379 /nfs/dbraw/zinc/54/83/79/952548379.db2.gz WLBDOGSWUPOZDW-LLVKDONJSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001575211623 952548383 /nfs/dbraw/zinc/54/83/83/952548383.db2.gz WLBDOGSWUPOZDW-LLVKDONJSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC1(CCO)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575211993 952552524 /nfs/dbraw/zinc/55/25/24/952552524.db2.gz DFHOMCCZQIZRBH-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(F)(F)C(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001575211993 952552530 /nfs/dbraw/zinc/55/25/30/952552530.db2.gz DFHOMCCZQIZRBH-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)c(C)n1 ZINC001571127257 952552867 /nfs/dbraw/zinc/55/28/67/952552867.db2.gz IHRBALOUBXZKJB-FOLVSLTJSA-N -1 3 377.412 0.533 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)c(C)n1 ZINC001571127257 952552870 /nfs/dbraw/zinc/55/28/70/952552870.db2.gz IHRBALOUBXZKJB-FOLVSLTJSA-N -1 3 377.412 0.533 20 0 GCADHM Cc1nsc(NC[C@@H]2CCN(C(=O)C3=COCCO3)C2)c1-c1nnn[n-]1 ZINC001571127446 952555455 /nfs/dbraw/zinc/55/54/55/952555455.db2.gz JJPRUTYFBMMNJS-JTQLQIEISA-N -1 3 377.430 0.780 20 0 GCADHM Cc1nsc(NC[C@H]2CCN(C(=O)C3=COCCO3)C2)c1-c1nnn[n-]1 ZINC001571127447 952555481 /nfs/dbraw/zinc/55/54/81/952555481.db2.gz JJPRUTYFBMMNJS-SNVBAGLBSA-N -1 3 377.430 0.780 20 0 GCADHM CC[C@H](OC)C(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2C1 ZINC001571127402 952555700 /nfs/dbraw/zinc/55/57/00/952555700.db2.gz GJPUABPBTONVHN-TUAOUCFPSA-N -1 3 377.474 0.951 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571127507 952556328 /nfs/dbraw/zinc/55/63/28/952556328.db2.gz LIGOWGRNXDZCGU-KYXWUPHJSA-N -1 3 377.430 0.500 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571127509 952556424 /nfs/dbraw/zinc/55/64/24/952556424.db2.gz LIGOWGRNXDZCGU-ZYUZMQFOSA-N -1 3 377.430 0.500 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC001571127497 952556749 /nfs/dbraw/zinc/55/67/49/952556749.db2.gz KWVSSJPSPBLYEQ-JTQLQIEISA-N -1 3 377.430 0.816 20 0 GCADHM CC1(C)CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]2COC[C@@H]21 ZINC001571127863 952560908 /nfs/dbraw/zinc/56/09/08/952560908.db2.gz LAOPMNDILYGGFV-LSDHHAIUSA-N -1 3 377.470 0.997 20 0 GCADHM CC1(C)CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]2COC[C@@H]21 ZINC001571127863 952560910 /nfs/dbraw/zinc/56/09/10/952560910.db2.gz LAOPMNDILYGGFV-LSDHHAIUSA-N -1 3 377.470 0.997 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575214535 952565160 /nfs/dbraw/zinc/56/51/60/952565160.db2.gz ZBINXKQGVDRKPQ-QFYYESIMSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575214535 952565167 /nfs/dbraw/zinc/56/51/67/952565167.db2.gz ZBINXKQGVDRKPQ-QFYYESIMSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(c1cnccn1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571128179 952565379 /nfs/dbraw/zinc/56/53/79/952565379.db2.gz QBNSDDYILSNPDD-OCCSQVGLSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1cnccn1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571128179 952565382 /nfs/dbraw/zinc/56/53/82/952565382.db2.gz QBNSDDYILSNPDD-OCCSQVGLSA-N -1 3 377.412 0.935 20 0 GCADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccn2)C3)ccc1-c1nnn[n-]1 ZINC001571128508 952568959 /nfs/dbraw/zinc/56/89/59/952568959.db2.gz VGGWRDUUBQCYBX-BNOWGMLFSA-N -1 3 377.412 0.900 20 0 GCADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ncccn2)C3)ccc1-c1nn[n-]n1 ZINC001571128508 952568963 /nfs/dbraw/zinc/56/89/63/952568963.db2.gz VGGWRDUUBQCYBX-BNOWGMLFSA-N -1 3 377.412 0.900 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575215917 952570054 /nfs/dbraw/zinc/57/00/54/952570054.db2.gz ZIVIUVKLZBZVEF-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575215917 952570059 /nfs/dbraw/zinc/57/00/59/952570059.db2.gz ZIVIUVKLZBZVEF-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM Nc1cccnc1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001571129170 952573441 /nfs/dbraw/zinc/57/34/41/952573441.db2.gz AVLNUMGZPIPAOP-CQSZACIVSA-N -1 3 378.396 0.375 20 0 GCADHM Nc1cccnc1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001571129170 952573446 /nfs/dbraw/zinc/57/34/46/952573446.db2.gz AVLNUMGZPIPAOP-CQSZACIVSA-N -1 3 378.396 0.375 20 0 GCADHM O=C(NC[C@@H](O)c1c[nH]cn1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001571130218 952579512 /nfs/dbraw/zinc/57/95/12/952579512.db2.gz PWWVXKOCOPUJSC-LLVKDONJSA-N -1 3 378.190 0.816 20 0 GCADHM O=C(NC[C@@H](O)c1c[nH]cn1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001571130218 952579515 /nfs/dbraw/zinc/57/95/15/952579515.db2.gz PWWVXKOCOPUJSC-LLVKDONJSA-N -1 3 378.190 0.816 20 0 GCADHM Cn1cc(CNC(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2F)c(=O)[nH]c1=O ZINC001571130701 952581568 /nfs/dbraw/zinc/58/15/68/952581568.db2.gz USWFOVOXRGUCFX-UHFFFAOYSA-N -1 3 378.299 0.266 20 0 GCADHM Cn1cc(CNC(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2F)c(=O)[nH]c1=O ZINC001571130701 952581572 /nfs/dbraw/zinc/58/15/72/952581572.db2.gz USWFOVOXRGUCFX-UHFFFAOYSA-N -1 3 378.299 0.266 20 0 GCADHM Cc1nsc(NCC2CC(NC(=O)[C@@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571135769 952607633 /nfs/dbraw/zinc/60/76/33/952607633.db2.gz DAGKMECLVNOEJP-HACHORDNSA-N -1 3 378.418 0.047 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@@H]2CN(C(=O)c3ccccn3)[C@@H]2C1 ZINC001571136013 952611306 /nfs/dbraw/zinc/61/13/06/952611306.db2.gz KPPZFUAXVMMJHD-IAQYHMDHSA-N -1 3 378.396 0.577 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@@H]2CN(C(=O)c3ccccn3)[C@@H]2C1 ZINC001571136013 952611310 /nfs/dbraw/zinc/61/13/10/952611310.db2.gz KPPZFUAXVMMJHD-IAQYHMDHSA-N -1 3 378.396 0.577 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1C[C@@H]2C[C@H]1CN2Cc1cccc(-c2nn[n-]n2)c1 ZINC001571136058 952612165 /nfs/dbraw/zinc/61/21/65/952612165.db2.gz LJFGVLRWRCXLOY-KBPBESRZSA-N -1 3 378.396 0.049 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC2(CN(C(=O)c3ccncc3)C2)C1 ZINC001571136569 952615161 /nfs/dbraw/zinc/61/51/61/952615161.db2.gz QXSJGMHMOKSNRH-UHFFFAOYSA-N -1 3 378.396 0.578 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC2(CN(C(=O)c3ccncc3)C2)C1 ZINC001571136569 952615165 /nfs/dbraw/zinc/61/51/65/952615165.db2.gz QXSJGMHMOKSNRH-UHFFFAOYSA-N -1 3 378.396 0.578 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571139029 952618003 /nfs/dbraw/zinc/61/80/03/952618003.db2.gz AVRZCWFFUSVROW-VIFPVBQESA-N -1 3 379.371 0.818 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571139029 952618004 /nfs/dbraw/zinc/61/80/04/952618004.db2.gz AVRZCWFFUSVROW-VIFPVBQESA-N -1 3 379.371 0.818 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571139096 952619387 /nfs/dbraw/zinc/61/93/87/952619387.db2.gz BWWWVYGTQMTFKW-BZNIZROVSA-N -1 3 379.371 0.567 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571139096 952619393 /nfs/dbraw/zinc/61/93/93/952619393.db2.gz BWWWVYGTQMTFKW-BZNIZROVSA-N -1 3 379.371 0.567 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1ncc(C(F)(F)F)cn1 ZINC001571139113 952619598 /nfs/dbraw/zinc/61/95/98/952619598.db2.gz CDCSGYVPXQKWFW-UHFFFAOYSA-N -1 3 379.306 0.799 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1ncc(C(F)(F)F)cn1 ZINC001571139113 952619600 /nfs/dbraw/zinc/61/96/00/952619600.db2.gz CDCSGYVPXQKWFW-UHFFFAOYSA-N -1 3 379.306 0.799 20 0 GCADHM O=C(NC1(C2CCN(C(=O)C(F)F)CC2)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571139269 952619627 /nfs/dbraw/zinc/61/96/27/952619627.db2.gz DWEYKMFSDBOPBG-UHFFFAOYSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(NC1(C2CCN(C(=O)C(F)F)CC2)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571139269 952619630 /nfs/dbraw/zinc/61/96/30/952619630.db2.gz DWEYKMFSDBOPBG-UHFFFAOYSA-N -1 3 379.371 0.961 20 0 GCADHM CC[C@@H](F)C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571139670 952621562 /nfs/dbraw/zinc/62/15/62/952621562.db2.gz KLBFXLLJFDUPJX-NWDGAFQWSA-N -1 3 379.396 0.290 20 0 GCADHM CC[C@@H](F)C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571139670 952621570 /nfs/dbraw/zinc/62/15/70/952621570.db2.gz KLBFXLLJFDUPJX-NWDGAFQWSA-N -1 3 379.396 0.290 20 0 GCADHM CO[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571140038 952623392 /nfs/dbraw/zinc/62/33/92/952623392.db2.gz NVCXETZKEDVLNS-UPJWGTAASA-N -1 3 379.396 0.145 20 0 GCADHM CO[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571140038 952623395 /nfs/dbraw/zinc/62/33/95/952623395.db2.gz NVCXETZKEDVLNS-UPJWGTAASA-N -1 3 379.396 0.145 20 0 GCADHM CNC(=O)c1ccc(NC(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)nn1 ZINC001571140137 952623630 /nfs/dbraw/zinc/62/36/30/952623630.db2.gz ONUVBCBWHNTTNI-GFCCVEGCSA-N -1 3 379.384 0.305 20 0 GCADHM CNC(=O)c1ccc(NC(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)nn1 ZINC001571140137 952623634 /nfs/dbraw/zinc/62/36/34/952623634.db2.gz ONUVBCBWHNTTNI-GFCCVEGCSA-N -1 3 379.384 0.305 20 0 GCADHM O=C(CC1CC(F)(F)C1)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571140309 952624300 /nfs/dbraw/zinc/62/43/00/952624300.db2.gz PQMJIEXWUHLHMS-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM O=C(CC1CC(F)(F)C1)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571140309 952624302 /nfs/dbraw/zinc/62/43/02/952624302.db2.gz PQMJIEXWUHLHMS-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM Cc1nc([C@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)c(F)c3)C2)no1 ZINC001571140868 952629549 /nfs/dbraw/zinc/62/95/49/952629549.db2.gz UULBXJMIJBIZNG-VIFPVBQESA-N -1 3 379.377 0.875 20 0 GCADHM Cc1cccc(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)c1 ZINC001571141267 952632561 /nfs/dbraw/zinc/63/25/61/952632561.db2.gz JIPKWEWGVJVQNV-HZPDHXFCSA-N -1 3 379.424 0.479 20 0 GCADHM Cc1cccc(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c1 ZINC001571141267 952632562 /nfs/dbraw/zinc/63/25/62/952632562.db2.gz JIPKWEWGVJVQNV-HZPDHXFCSA-N -1 3 379.424 0.479 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1)[C@H]1CC1(F)F ZINC001571141331 952632743 /nfs/dbraw/zinc/63/27/43/952632743.db2.gz XMMFQPTTYCACPA-VXGBXAGGSA-N -1 3 379.371 0.628 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1)[C@H]1CC1(F)F ZINC001571141331 952632746 /nfs/dbraw/zinc/63/27/46/952632746.db2.gz XMMFQPTTYCACPA-VXGBXAGGSA-N -1 3 379.371 0.628 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C[C@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001571141708 952635985 /nfs/dbraw/zinc/63/59/85/952635985.db2.gz ZWRYPRLYTIEFMY-GXTWGEPZSA-N -1 3 379.417 0.116 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C[C@H](O)COc1ccccc1-c1nn[n-]n1 ZINC001571141708 952635987 /nfs/dbraw/zinc/63/59/87/952635987.db2.gz ZWRYPRLYTIEFMY-GXTWGEPZSA-N -1 3 379.417 0.116 20 0 GCADHM Cn1cc([C@@H]2C[C@H]2C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC001571142292 952639988 /nfs/dbraw/zinc/63/99/88/952639988.db2.gz OLHXKOOJHNUNNR-DLBZAZTESA-N -1 3 378.440 0.704 20 0 GCADHM Cn1cc([C@@H]2C[C@H]2C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC001571142292 952639991 /nfs/dbraw/zinc/63/99/91/952639991.db2.gz OLHXKOOJHNUNNR-DLBZAZTESA-N -1 3 378.440 0.704 20 0 GCADHM Cn1[nH]cnc1=NC(=O)COc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001571142525 952643103 /nfs/dbraw/zinc/64/31/03/952643103.db2.gz TZWIJHHCTVDAEF-UHFFFAOYSA-N -1 3 379.178 0.197 20 0 GCADHM Cn1[nH]cnc1=NC(=O)COc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001571142525 952643106 /nfs/dbraw/zinc/64/31/06/952643106.db2.gz TZWIJHHCTVDAEF-UHFFFAOYSA-N -1 3 379.178 0.197 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)c1cccnc1 ZINC001571142638 952644053 /nfs/dbraw/zinc/64/40/53/952644053.db2.gz ZCPNBIUHIDMBJN-KRWDZBQOSA-N -1 3 379.424 0.893 20 0 GCADHM C[C@@H]1[C@H](NC(=O)N(C)CCc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC001571142687 952645430 /nfs/dbraw/zinc/64/54/30/952645430.db2.gz VMFKALOWGVTJAV-BXUZGUMPSA-N -1 3 378.458 0.626 20 0 GCADHM C[C@@H]1[C@H](NC(=O)N(C)CCc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC001571142687 952645433 /nfs/dbraw/zinc/64/54/33/952645433.db2.gz VMFKALOWGVTJAV-BXUZGUMPSA-N -1 3 378.458 0.626 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001571146286 952647900 /nfs/dbraw/zinc/64/79/00/952647900.db2.gz FNTOSCBKAZMPAY-KGLIPLIRSA-N -1 3 379.428 0.879 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001571146286 952647903 /nfs/dbraw/zinc/64/79/03/952647903.db2.gz FNTOSCBKAZMPAY-KGLIPLIRSA-N -1 3 379.428 0.879 20 0 GCADHM O=C(Cn1cccn1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571146396 952648607 /nfs/dbraw/zinc/64/86/07/952648607.db2.gz HHPAIKLNSMDNNQ-RDTXWAMCSA-N -1 3 379.428 0.776 20 0 GCADHM O=C(Cn1cccn1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571146396 952648615 /nfs/dbraw/zinc/64/86/15/952648615.db2.gz HHPAIKLNSMDNNQ-RDTXWAMCSA-N -1 3 379.428 0.776 20 0 GCADHM O=C(Cn1cccn1)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571146391 952649067 /nfs/dbraw/zinc/64/90/67/952649067.db2.gz HHPAIKLNSMDNNQ-KDOFPFPSSA-N -1 3 379.428 0.776 20 0 GCADHM O=C(Cn1cccn1)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571146391 952649071 /nfs/dbraw/zinc/64/90/71/952649071.db2.gz HHPAIKLNSMDNNQ-KDOFPFPSSA-N -1 3 379.428 0.776 20 0 GCADHM Cn1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571146305 952649234 /nfs/dbraw/zinc/64/92/34/952649234.db2.gz FWVFOZXDDOYNCZ-OKILXGFUSA-N -1 3 379.428 0.879 20 0 GCADHM Cn1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571146305 952649236 /nfs/dbraw/zinc/64/92/36/952649236.db2.gz FWVFOZXDDOYNCZ-OKILXGFUSA-N -1 3 379.428 0.879 20 0 GCADHM Cn1cncc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571146495 952649286 /nfs/dbraw/zinc/64/92/86/952649286.db2.gz HRICYRXFHWCQLM-KGLIPLIRSA-N -1 3 379.428 0.594 20 0 GCADHM Cn1cncc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571146495 952649288 /nfs/dbraw/zinc/64/92/88/952649288.db2.gz HRICYRXFHWCQLM-KGLIPLIRSA-N -1 3 379.428 0.594 20 0 GCADHM O=C(Cn1ccnc1)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC001571146676 952651014 /nfs/dbraw/zinc/65/10/14/952651014.db2.gz LIIXUVIUQUSFHL-HUUCEWRRSA-N -1 3 379.428 0.998 20 0 GCADHM O=C(Cn1ccnc1)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC001571146676 952651019 /nfs/dbraw/zinc/65/10/19/952651019.db2.gz LIIXUVIUQUSFHL-HUUCEWRRSA-N -1 3 379.428 0.998 20 0 GCADHM O=C(NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn2c1CCC2 ZINC001571146736 952652348 /nfs/dbraw/zinc/65/23/48/952652348.db2.gz MECUZZNYUIVTNX-LBPRGKRZSA-N -1 3 379.428 0.661 20 0 GCADHM O=C(NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn2c1CCC2 ZINC001571146736 952652351 /nfs/dbraw/zinc/65/23/51/952652351.db2.gz MECUZZNYUIVTNX-LBPRGKRZSA-N -1 3 379.428 0.661 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571146910 952654230 /nfs/dbraw/zinc/65/42/30/952654230.db2.gz PQCPLVJGGYHFGM-OKILXGFUSA-N -1 3 379.428 0.512 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571146910 952654234 /nfs/dbraw/zinc/65/42/34/952654234.db2.gz PQCPLVJGGYHFGM-OKILXGFUSA-N -1 3 379.428 0.512 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC001571146871 952654324 /nfs/dbraw/zinc/65/43/24/952654324.db2.gz OKPSRBOWIISBGT-YPMHNXCESA-N -1 3 379.428 0.485 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC001571146871 952654328 /nfs/dbraw/zinc/65/43/28/952654328.db2.gz OKPSRBOWIISBGT-YPMHNXCESA-N -1 3 379.428 0.485 20 0 GCADHM CCCc1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571146991 952655197 /nfs/dbraw/zinc/65/51/97/952655197.db2.gz FVEYQDXZVCQJPC-VIKVFOODSA-N -1 3 379.428 0.802 20 0 GCADHM CCCc1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571146991 952655200 /nfs/dbraw/zinc/65/52/00/952655200.db2.gz FVEYQDXZVCQJPC-VIKVFOODSA-N -1 3 379.428 0.802 20 0 GCADHM O=C(Cn1ccnc1)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571147054 952656673 /nfs/dbraw/zinc/65/66/73/952656673.db2.gz RJJWHURWPWXVKY-KGLIPLIRSA-N -1 3 379.428 0.443 20 0 GCADHM O=C(Cn1ccnc1)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571147054 952656677 /nfs/dbraw/zinc/65/66/77/952656677.db2.gz RJJWHURWPWXVKY-KGLIPLIRSA-N -1 3 379.428 0.443 20 0 GCADHM Cn1nccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nnn[n-]1)C2 ZINC001571147229 952658850 /nfs/dbraw/zinc/65/88/50/952658850.db2.gz ULCYMHILKRQZNG-AVGNSLFASA-N -1 3 379.428 0.783 20 0 GCADHM Cn1nccc1C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nn[n-]n1)C2 ZINC001571147229 952658852 /nfs/dbraw/zinc/65/88/52/952658852.db2.gz ULCYMHILKRQZNG-AVGNSLFASA-N -1 3 379.428 0.783 20 0 GCADHM Cn1cnc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001571147242 952658976 /nfs/dbraw/zinc/65/89/76/952658976.db2.gz UZXGRAIYHKTIST-OKILXGFUSA-N -1 3 379.428 0.879 20 0 GCADHM Cn1cnc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001571147242 952658978 /nfs/dbraw/zinc/65/89/78/952658978.db2.gz UZXGRAIYHKTIST-OKILXGFUSA-N -1 3 379.428 0.879 20 0 GCADHM Cn1nc2c(c1C(=O)N1CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C1)CCC2 ZINC001571147256 952658983 /nfs/dbraw/zinc/65/89/83/952658983.db2.gz VUODUUPDQQBXGF-LBPRGKRZSA-N -1 3 379.428 0.811 20 0 GCADHM Cn1nc2c(c1C(=O)N1CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C1)CCC2 ZINC001571147256 952658985 /nfs/dbraw/zinc/65/89/85/952658985.db2.gz VUODUUPDQQBXGF-LBPRGKRZSA-N -1 3 379.428 0.811 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001571151331 952674796 /nfs/dbraw/zinc/67/47/96/952674796.db2.gz OZLOARDXJNGGJP-UKRRQHHQSA-N -1 3 379.442 0.263 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001571151331 952674798 /nfs/dbraw/zinc/67/47/98/952674798.db2.gz OZLOARDXJNGGJP-UKRRQHHQSA-N -1 3 379.442 0.263 20 0 GCADHM Cc1cc(NC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc(-c2nnn[n-]2)c1 ZINC001571151736 952677888 /nfs/dbraw/zinc/67/78/88/952677888.db2.gz WBSMATURZGCWGJ-PWSUYJOCSA-N -1 3 379.446 0.563 20 0 GCADHM Cc1cc(NC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc(-c2nn[n-]n2)c1 ZINC001571151736 952677891 /nfs/dbraw/zinc/67/78/91/952677891.db2.gz WBSMATURZGCWGJ-PWSUYJOCSA-N -1 3 379.446 0.563 20 0 GCADHM Cc1cc(NC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)cc(-c2nnn[n-]2)c1 ZINC001571151838 952678701 /nfs/dbraw/zinc/67/87/01/952678701.db2.gz YQWZDCKDNAMYEN-LLVKDONJSA-N -1 3 379.446 0.578 20 0 GCADHM Cc1cc(NC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)cc(-c2nn[n-]n2)c1 ZINC001571151838 952678705 /nfs/dbraw/zinc/67/87/05/952678705.db2.gz YQWZDCKDNAMYEN-LLVKDONJSA-N -1 3 379.446 0.578 20 0 GCADHM Cc1nsc(N2CCC[C@@H](NC(=O)[C@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571151844 952678961 /nfs/dbraw/zinc/67/89/61/952678961.db2.gz YZCLHJMTLFDLDL-GHMZBOCLSA-N -1 3 379.446 0.132 20 0 GCADHM O=C1CO[C@@H]2CCN(c3cc(-c4nnn[n-]4)c(Br)cn3)C[C@H]2N1 ZINC001571152068 952681060 /nfs/dbraw/zinc/68/10/60/952681060.db2.gz CLUOYDCUSYREIN-NXEZZACHSA-N -1 3 380.206 0.118 20 0 GCADHM O=C1CO[C@@H]2CCN(c3cc(-c4nn[n-]n4)c(Br)cn3)C[C@H]2N1 ZINC001571152068 952681064 /nfs/dbraw/zinc/68/10/64/952681064.db2.gz CLUOYDCUSYREIN-NXEZZACHSA-N -1 3 380.206 0.118 20 0 GCADHM COC(=O)c1cccn(CC(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)c1=O ZINC001571152655 952683500 /nfs/dbraw/zinc/68/35/00/952683500.db2.gz JHXGLMIHHVVRLD-UHFFFAOYSA-N -1 3 380.364 0.357 20 0 GCADHM COC(=O)c1cccn(CC(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)c1=O ZINC001571152655 952683502 /nfs/dbraw/zinc/68/35/02/952683502.db2.gz JHXGLMIHHVVRLD-UHFFFAOYSA-N -1 3 380.364 0.357 20 0 GCADHM COC(=O)c1cccn(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1=O ZINC001571152925 952683878 /nfs/dbraw/zinc/68/38/78/952683878.db2.gz LHKIWJDBWADWFE-UHFFFAOYSA-N -1 3 380.364 0.404 20 0 GCADHM COC(=O)c1cccn(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1=O ZINC001571152925 952683882 /nfs/dbraw/zinc/68/38/82/952683882.db2.gz LHKIWJDBWADWFE-UHFFFAOYSA-N -1 3 380.364 0.404 20 0 GCADHM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(-c3nnn[n-]3)ccn2)n1 ZINC001571153353 952686180 /nfs/dbraw/zinc/68/61/80/952686180.db2.gz PFZSBXOWSONGQR-UHFFFAOYSA-N -1 3 379.789 0.966 20 0 GCADHM CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(-c3nn[n-]n3)ccn2)n1 ZINC001571153353 952686186 /nfs/dbraw/zinc/68/61/86/952686186.db2.gz PFZSBXOWSONGQR-UHFFFAOYSA-N -1 3 379.789 0.966 20 0 GCADHM CNC(=O)c1cccc(C(=O)Nc2ncc3c(c2-c2nnn[n-]2)COCC3)n1 ZINC001571153342 952686560 /nfs/dbraw/zinc/68/65/60/952686560.db2.gz OSNFNWKNPMVIDS-UHFFFAOYSA-N -1 3 380.368 0.341 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1ccc(=O)n(C)c1 ZINC001571154869 952690223 /nfs/dbraw/zinc/69/02/23/952690223.db2.gz CTQHPMGAESGNTC-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1ccc(=O)n(C)c1 ZINC001571154869 952690225 /nfs/dbraw/zinc/69/02/25/952690225.db2.gz CTQHPMGAESGNTC-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM CCc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571154814 952690618 /nfs/dbraw/zinc/69/06/18/952690618.db2.gz BUPLAXMNXGZOCE-GFCCVEGCSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571154814 952690623 /nfs/dbraw/zinc/69/06/23/952690623.db2.gz BUPLAXMNXGZOCE-GFCCVEGCSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571155048 952691372 /nfs/dbraw/zinc/69/13/72/952691372.db2.gz FQCMUOYTUWSRQF-GFCCVEGCSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571155048 952691375 /nfs/dbraw/zinc/69/13/75/952691375.db2.gz FQCMUOYTUWSRQF-GFCCVEGCSA-N -1 3 380.412 0.797 20 0 GCADHM CN(C(=O)c1ccc(=O)n(C)c1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571155116 952693002 /nfs/dbraw/zinc/69/30/02/952693002.db2.gz IEGDXLKGDGXCPA-AWEZNQCLSA-N -1 3 380.412 0.311 20 0 GCADHM CN(C(=O)c1ccc(=O)n(C)c1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571155116 952693006 /nfs/dbraw/zinc/69/30/06/952693006.db2.gz IEGDXLKGDGXCPA-AWEZNQCLSA-N -1 3 380.412 0.311 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001571155151 952693781 /nfs/dbraw/zinc/69/37/81/952693781.db2.gz JDVZOLROBBXPFR-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001571155151 952693786 /nfs/dbraw/zinc/69/37/86/952693786.db2.gz JDVZOLROBBXPFR-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001571155152 952694086 /nfs/dbraw/zinc/69/40/86/952694086.db2.gz JDVZOLROBBXPFR-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001571155152 952694088 /nfs/dbraw/zinc/69/40/88/952694088.db2.gz JDVZOLROBBXPFR-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM O=C1C[C@]2(NS(=O)(=O)c3cc(F)cc(-c4nnn[n-]4)c3)CCCC[C@@H]2N1 ZINC001571155301 952694656 /nfs/dbraw/zinc/69/46/56/952694656.db2.gz NHGMCOHNXKSWDO-SWLSCSKDSA-N -1 3 380.405 0.485 20 0 GCADHM O=C1C[C@]2(NS(=O)(=O)c3cc(F)cc(-c4nn[n-]n4)c3)CCCC[C@@H]2N1 ZINC001571155301 952694659 /nfs/dbraw/zinc/69/46/59/952694659.db2.gz NHGMCOHNXKSWDO-SWLSCSKDSA-N -1 3 380.405 0.485 20 0 GCADHM CNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001571155302 952694950 /nfs/dbraw/zinc/69/49/50/952694950.db2.gz NKGNPMUQBAGMHA-INIZCTEOSA-N -1 3 380.408 0.719 20 0 GCADHM CNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001571155302 952694954 /nfs/dbraw/zinc/69/49/54/952694954.db2.gz NKGNPMUQBAGMHA-INIZCTEOSA-N -1 3 380.408 0.719 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571155313 952695559 /nfs/dbraw/zinc/69/55/59/952695559.db2.gz NMJPUVVJZJYWQO-SMDDNHRTSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571155313 952695563 /nfs/dbraw/zinc/69/55/63/952695563.db2.gz NMJPUVVJZJYWQO-SMDDNHRTSA-N -1 3 380.412 0.552 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001571155471 952698025 /nfs/dbraw/zinc/69/80/25/952698025.db2.gz TWXHKDMZSSHZRR-AWEZNQCLSA-N -1 3 380.412 0.311 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001571155471 952698028 /nfs/dbraw/zinc/69/80/28/952698028.db2.gz TWXHKDMZSSHZRR-AWEZNQCLSA-N -1 3 380.412 0.311 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1cccn(C)c1=O ZINC001571155542 952698127 /nfs/dbraw/zinc/69/81/27/952698127.db2.gz VTVPXNZQXUMRHL-DGCLKSJQSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1cccn(C)c1=O ZINC001571155542 952698129 /nfs/dbraw/zinc/69/81/29/952698129.db2.gz VTVPXNZQXUMRHL-DGCLKSJQSA-N -1 3 380.412 0.676 20 0 GCADHM COCc1cncc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571155684 952699174 /nfs/dbraw/zinc/69/91/74/952699174.db2.gz XNHYXBVXTIMBII-AWEZNQCLSA-N -1 3 380.412 0.812 20 0 GCADHM COCc1cncc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571155684 952699179 /nfs/dbraw/zinc/69/91/79/952699179.db2.gz XNHYXBVXTIMBII-AWEZNQCLSA-N -1 3 380.412 0.812 20 0 GCADHM COCc1cncc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571155774 952699642 /nfs/dbraw/zinc/69/96/42/952699642.db2.gz ZWGBGSSANVPHHW-UHFFFAOYSA-N -1 3 380.412 0.766 20 0 GCADHM COCc1cncc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571155774 952699645 /nfs/dbraw/zinc/69/96/45/952699645.db2.gz ZWGBGSSANVPHHW-UHFFFAOYSA-N -1 3 380.412 0.766 20 0 GCADHM Cc1cnc(CN2CCC3(CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)nc1 ZINC001571156756 952704376 /nfs/dbraw/zinc/70/43/76/952704376.db2.gz IVOWAEQGCVRXGX-UHFFFAOYSA-N -1 3 379.428 0.641 20 0 GCADHM Cc1cnc(CN2CCC3(CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)nc1 ZINC001571156756 952704380 /nfs/dbraw/zinc/70/43/80/952704380.db2.gz IVOWAEQGCVRXGX-UHFFFAOYSA-N -1 3 379.428 0.641 20 0 GCADHM Cc1ncc(C(=O)NC[C@@H]2[C@H]3CN(c4nc(C)ccc4-c4nnn[n-]4)C[C@H]32)[nH]1 ZINC001571157156 952706929 /nfs/dbraw/zinc/70/69/29/952706929.db2.gz MXXCBMNCAAQFDX-ZSOGYDGISA-N -1 3 379.428 0.714 20 0 GCADHM Cc1ncc(C(=O)NC[C@@H]2[C@H]3CN(c4nc(C)ccc4-c4nn[n-]n4)C[C@H]32)[nH]1 ZINC001571157156 952706931 /nfs/dbraw/zinc/70/69/31/952706931.db2.gz MXXCBMNCAAQFDX-ZSOGYDGISA-N -1 3 379.428 0.714 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)n1 ZINC001571157238 952707284 /nfs/dbraw/zinc/70/72/84/952707284.db2.gz NSROIDWCNQYBOT-FOLVSLTJSA-N -1 3 379.428 0.326 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)n1 ZINC001571157238 952707288 /nfs/dbraw/zinc/70/72/88/952707288.db2.gz NSROIDWCNQYBOT-FOLVSLTJSA-N -1 3 379.428 0.326 20 0 GCADHM Cc1ccc(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001571157911 952707893 /nfs/dbraw/zinc/70/78/93/952707893.db2.gz CJIATPKBBUNLHB-OAHLLOKOSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1ccc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001571157911 952707894 /nfs/dbraw/zinc/70/78/94/952707894.db2.gz CJIATPKBBUNLHB-OAHLLOKOSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001571157889 952708387 /nfs/dbraw/zinc/70/83/87/952708387.db2.gz BOOIUVPFRIHSRF-AAEUAGOBSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001571157889 952708390 /nfs/dbraw/zinc/70/83/90/952708390.db2.gz BOOIUVPFRIHSRF-AAEUAGOBSA-N -1 3 380.412 0.931 20 0 GCADHM COc1cccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571158511 952712280 /nfs/dbraw/zinc/71/22/80/952712280.db2.gz KBYGJYMNQYUQNG-GFCCVEGCSA-N -1 3 380.412 0.922 20 0 GCADHM COc1cccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571158511 952712284 /nfs/dbraw/zinc/71/22/84/952712284.db2.gz KBYGJYMNQYUQNG-GFCCVEGCSA-N -1 3 380.412 0.922 20 0 GCADHM Cc1cccnc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571158735 952714474 /nfs/dbraw/zinc/71/44/74/952714474.db2.gz NOJOMFDJLATSGS-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571158735 952714478 /nfs/dbraw/zinc/71/44/78/952714478.db2.gz NOJOMFDJLATSGS-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571158733 952715104 /nfs/dbraw/zinc/71/51/04/952715104.db2.gz NOJOMFDJLATSGS-DGCLKSJQSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571158733 952715110 /nfs/dbraw/zinc/71/51/10/952715110.db2.gz NOJOMFDJLATSGS-DGCLKSJQSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)ccn1 ZINC001571158979 952716077 /nfs/dbraw/zinc/71/60/77/952716077.db2.gz OPEUTYUTKUZPMS-MEBBXXQBSA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)ccn1 ZINC001571158979 952716084 /nfs/dbraw/zinc/71/60/84/952716084.db2.gz OPEUTYUTKUZPMS-MEBBXXQBSA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H]2C)n1 ZINC001571159239 952716856 /nfs/dbraw/zinc/71/68/56/952716856.db2.gz RGYYVIMOBKACAK-RYUDHWBXSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H]2C)n1 ZINC001571159239 952716859 /nfs/dbraw/zinc/71/68/59/952716859.db2.gz RGYYVIMOBKACAK-RYUDHWBXSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)n1 ZINC001571159241 952716862 /nfs/dbraw/zinc/71/68/62/952716862.db2.gz RGYYVIMOBKACAK-VXGBXAGGSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)n1 ZINC001571159241 952716863 /nfs/dbraw/zinc/71/68/63/952716863.db2.gz RGYYVIMOBKACAK-VXGBXAGGSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cc(=O)c(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001571159334 952718172 /nfs/dbraw/zinc/71/81/72/952718172.db2.gz USWCIUMEHPZDON-CYBMUJFWSA-N -1 3 380.412 0.609 20 0 GCADHM Cc1cc(=O)c(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571159334 952718174 /nfs/dbraw/zinc/71/81/74/952718174.db2.gz USWCIUMEHPZDON-CYBMUJFWSA-N -1 3 380.412 0.609 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c(=O)[nH]1 ZINC001571159480 952719682 /nfs/dbraw/zinc/71/96/82/952719682.db2.gz WBDHACNBWYXUJT-LBPRGKRZSA-N -1 3 380.412 0.927 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c(=O)[nH]1 ZINC001571159480 952719688 /nfs/dbraw/zinc/71/96/88/952719688.db2.gz WBDHACNBWYXUJT-LBPRGKRZSA-N -1 3 380.412 0.927 20 0 GCADHM Cc1c[nH]cc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571159665 952721168 /nfs/dbraw/zinc/72/11/68/952721168.db2.gz YNIGMXYKIOBVAH-BETUJISGSA-N -1 3 380.412 0.961 20 0 GCADHM Cc1c[nH]cc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571159665 952721174 /nfs/dbraw/zinc/72/11/74/952721174.db2.gz YNIGMXYKIOBVAH-BETUJISGSA-N -1 3 380.412 0.961 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571159555 952721192 /nfs/dbraw/zinc/72/11/92/952721192.db2.gz XXSGRRBEJIRTGV-RYUDHWBXSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571159555 952721196 /nfs/dbraw/zinc/72/11/96/952721196.db2.gz XXSGRRBEJIRTGV-RYUDHWBXSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571159701 952722138 /nfs/dbraw/zinc/72/21/38/952722138.db2.gz ZETGWNHUOJWVIU-LBPRGKRZSA-N -1 3 380.412 0.790 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571159701 952722143 /nfs/dbraw/zinc/72/21/43/952722143.db2.gz ZETGWNHUOJWVIU-LBPRGKRZSA-N -1 3 380.412 0.790 20 0 GCADHM O=C(N[C@H]1CC12CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CC2)c1cc[nH]c1 ZINC001571160228 952723986 /nfs/dbraw/zinc/72/39/86/952723986.db2.gz FEIKTMCVXGBQII-AWEZNQCLSA-N -1 3 380.412 0.948 20 0 GCADHM O=C(N[C@H]1CC12CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2)c1cc[nH]c1 ZINC001571160228 952723987 /nfs/dbraw/zinc/72/39/87/952723987.db2.gz FEIKTMCVXGBQII-AWEZNQCLSA-N -1 3 380.412 0.948 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571160832 952728499 /nfs/dbraw/zinc/72/84/99/952728499.db2.gz MVMSOTBCGNNOKT-LBPRGKRZSA-N -1 3 380.412 0.790 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571160832 952728504 /nfs/dbraw/zinc/72/85/04/952728504.db2.gz MVMSOTBCGNNOKT-LBPRGKRZSA-N -1 3 380.412 0.790 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(Cc3coc(C4CC4)n3)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571161024 952729267 /nfs/dbraw/zinc/72/92/67/952729267.db2.gz OWPMMCOCYSFOLB-NHAGDIPZSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(Cc3coc(C4CC4)n3)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571161024 952729269 /nfs/dbraw/zinc/72/92/69/952729269.db2.gz OWPMMCOCYSFOLB-NHAGDIPZSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2ccncc2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571160972 952730165 /nfs/dbraw/zinc/73/01/65/952730165.db2.gz OBQSVOUOEMHPLF-FZMZJTMJSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2ccncc2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571160972 952730171 /nfs/dbraw/zinc/73/01/71/952730171.db2.gz OBQSVOUOEMHPLF-FZMZJTMJSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1ccncc1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571161238 952732027 /nfs/dbraw/zinc/73/20/27/952732027.db2.gz SDQQXVDEZPNZPJ-CYBMUJFWSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1ccncc1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571161238 952732031 /nfs/dbraw/zinc/73/20/31/952732031.db2.gz SDQQXVDEZPNZPJ-CYBMUJFWSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3ccn(C)c(=O)c3)C2)ccc1-c1nnn[n-]1 ZINC001571161481 952732905 /nfs/dbraw/zinc/73/29/05/952732905.db2.gz WXSQCHMLXJMGJM-BETUJISGSA-N -1 3 380.412 0.642 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3ccn(C)c(=O)c3)C2)ccc1-c1nn[n-]n1 ZINC001571161481 952732910 /nfs/dbraw/zinc/73/29/10/952732910.db2.gz WXSQCHMLXJMGJM-BETUJISGSA-N -1 3 380.412 0.642 20 0 GCADHM Cc1cnccc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161442 952733106 /nfs/dbraw/zinc/73/31/06/952733106.db2.gz VRQUFMHRGIBMMO-NEPJUHHUSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cnccc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161442 952733110 /nfs/dbraw/zinc/73/31/10/952733110.db2.gz VRQUFMHRGIBMMO-NEPJUHHUSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1noc(C)c1CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001571161468 952733139 /nfs/dbraw/zinc/73/31/39/952733139.db2.gz WOHJZTDXMODYIL-STQMWFEESA-N -1 3 380.412 0.899 20 0 GCADHM Cc1noc(C)c1CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001571161468 952733141 /nfs/dbraw/zinc/73/31/41/952733141.db2.gz WOHJZTDXMODYIL-STQMWFEESA-N -1 3 380.412 0.899 20 0 GCADHM CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)c(C)n2)nn1 ZINC001571161858 952735389 /nfs/dbraw/zinc/73/53/89/952735389.db2.gz CIWLCIPWJAPRFK-RYUDHWBXSA-N -1 3 380.416 0.285 20 0 GCADHM CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)c(C)n2)nn1 ZINC001571161858 952735393 /nfs/dbraw/zinc/73/53/93/952735393.db2.gz CIWLCIPWJAPRFK-RYUDHWBXSA-N -1 3 380.416 0.285 20 0 GCADHM CN(C)c1cnc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571162141 952739448 /nfs/dbraw/zinc/73/94/48/952739448.db2.gz LTXOZBSDVUJMEJ-LBPRGKRZSA-N -1 3 380.416 0.126 20 0 GCADHM CN(C)c1cnc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571162141 952739451 /nfs/dbraw/zinc/73/94/51/952739451.db2.gz LTXOZBSDVUJMEJ-LBPRGKRZSA-N -1 3 380.416 0.126 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)nn1 ZINC001571162636 952745167 /nfs/dbraw/zinc/74/51/67/952745167.db2.gz WXDZGCTYJSYGJP-SMDDNHRTSA-N -1 3 380.416 0.224 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)nn1 ZINC001571162636 952745171 /nfs/dbraw/zinc/74/51/71/952745171.db2.gz WXDZGCTYJSYGJP-SMDDNHRTSA-N -1 3 380.416 0.224 20 0 GCADHM CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001571162649 952745516 /nfs/dbraw/zinc/74/55/16/952745516.db2.gz XGGFYQRAXONLGS-QJPTWQEYSA-N -1 3 380.416 0.221 20 0 GCADHM CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001571162649 952745518 /nfs/dbraw/zinc/74/55/18/952745518.db2.gz XGGFYQRAXONLGS-QJPTWQEYSA-N -1 3 380.416 0.221 20 0 GCADHM O=C(Cc1cc[nH]n1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571165023 952747497 /nfs/dbraw/zinc/74/74/97/952747497.db2.gz BAOABAGVNNUSLF-KRWDZBQOSA-N -1 3 380.416 0.051 20 0 GCADHM O=C(Cc1cc[nH]n1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571165023 952747502 /nfs/dbraw/zinc/74/75/02/952747502.db2.gz BAOABAGVNNUSLF-KRWDZBQOSA-N -1 3 380.416 0.051 20 0 GCADHM Nc1nccnc1C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165042 952747628 /nfs/dbraw/zinc/74/76/28/952747628.db2.gz BNDDKZBUAHWSHL-NSHDSACASA-N -1 3 380.416 0.598 20 0 GCADHM Nc1nccnc1C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165042 952747634 /nfs/dbraw/zinc/74/76/34/952747634.db2.gz BNDDKZBUAHWSHL-NSHDSACASA-N -1 3 380.416 0.598 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571165796 952755135 /nfs/dbraw/zinc/75/51/35/952755135.db2.gz KZRFELFYLZYAMH-BETUJISGSA-N -1 3 380.416 0.041 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571165796 952755136 /nfs/dbraw/zinc/75/51/36/952755136.db2.gz KZRFELFYLZYAMH-BETUJISGSA-N -1 3 380.416 0.041 20 0 GCADHM O=C(c1cc[nH]n1)N1CCC2(C1)CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571166186 952758442 /nfs/dbraw/zinc/75/84/42/952758442.db2.gz PNGDJWORXWEAJX-UHFFFAOYSA-N -1 3 380.416 0.513 20 0 GCADHM O=C(c1cc[nH]n1)N1CCC2(C1)CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571166186 952758444 /nfs/dbraw/zinc/75/84/44/952758444.db2.gz PNGDJWORXWEAJX-UHFFFAOYSA-N -1 3 380.416 0.513 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571166475 952762122 /nfs/dbraw/zinc/76/21/22/952762122.db2.gz SGDKVQWFFUWZKB-CHWSQXEVSA-N -1 3 380.416 0.131 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571166475 952762126 /nfs/dbraw/zinc/76/21/26/952762126.db2.gz SGDKVQWFFUWZKB-CHWSQXEVSA-N -1 3 380.416 0.131 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571166536 952763493 /nfs/dbraw/zinc/76/34/93/952763493.db2.gz SWHGAHBSWBAWES-WCQYABFASA-N -1 3 380.416 0.429 20 0 GCADHM Nc1nccnc1C(=O)NC[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571166807 952765033 /nfs/dbraw/zinc/76/50/33/952765033.db2.gz WJEYVOWVLQLHDT-LLVKDONJSA-N -1 3 380.416 0.280 20 0 GCADHM Nc1nccnc1C(=O)NC[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571166807 952765039 /nfs/dbraw/zinc/76/50/39/952765039.db2.gz WJEYVOWVLQLHDT-LLVKDONJSA-N -1 3 380.416 0.280 20 0 GCADHM O=C(N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571166827 952765660 /nfs/dbraw/zinc/76/56/60/952765660.db2.gz WWGDAJBSXZAICF-DDHJBXDOSA-N -1 3 380.416 0.490 20 0 GCADHM CO[C@]1(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCS(=O)(=O)C1 ZINC001571166824 952765710 /nfs/dbraw/zinc/76/57/10/952765710.db2.gz QHWZKHILWMXFGQ-HNNXBMFYSA-N -1 3 380.430 0.500 20 0 GCADHM CO[C@]1(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCS(=O)(=O)C1 ZINC001571166824 952765712 /nfs/dbraw/zinc/76/57/12/952765712.db2.gz QHWZKHILWMXFGQ-HNNXBMFYSA-N -1 3 380.430 0.500 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571166880 952766744 /nfs/dbraw/zinc/76/67/44/952766744.db2.gz YNVQIGQCHAGNEE-GUYCJALGSA-N -1 3 380.416 0.240 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571166880 952766748 /nfs/dbraw/zinc/76/67/48/952766748.db2.gz YNVQIGQCHAGNEE-GUYCJALGSA-N -1 3 380.416 0.240 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571166939 952767648 /nfs/dbraw/zinc/76/76/48/952767648.db2.gz YVCQCODXMMVNJJ-SJCJKPOMSA-N -1 3 380.416 0.477 20 0 GCADHM C[C@]1(NC(=O)c2c[nH]c(C(N)=O)c2)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571170355 952784668 /nfs/dbraw/zinc/78/46/68/952784668.db2.gz HHUBQHZLDZYZEB-KRWDZBQOSA-N -1 3 381.400 0.088 20 0 GCADHM C[C@]1(NC(=O)c2c[nH]c(C(N)=O)c2)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571170355 952784672 /nfs/dbraw/zinc/78/46/72/952784672.db2.gz HHUBQHZLDZYZEB-KRWDZBQOSA-N -1 3 381.400 0.088 20 0 GCADHM CCn1nc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)ccc1=O ZINC001571170421 952785736 /nfs/dbraw/zinc/78/57/36/952785736.db2.gz JHUMHXKICQKKTJ-GFCCVEGCSA-N -1 3 381.400 0.165 20 0 GCADHM CCn1nc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)ccc1=O ZINC001571170421 952785738 /nfs/dbraw/zinc/78/57/38/952785738.db2.gz JHUMHXKICQKKTJ-GFCCVEGCSA-N -1 3 381.400 0.165 20 0 GCADHM CCc1ncncc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571170397 952786365 /nfs/dbraw/zinc/78/63/65/952786365.db2.gz ISDCZBDSMMWGIX-LLVKDONJSA-N -1 3 381.400 0.192 20 0 GCADHM CCc1ncncc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571170397 952786369 /nfs/dbraw/zinc/78/63/69/952786369.db2.gz ISDCZBDSMMWGIX-LLVKDONJSA-N -1 3 381.400 0.192 20 0 GCADHM COC(=O)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)[C@H]2C[C@H]21 ZINC001571170830 952789761 /nfs/dbraw/zinc/78/97/61/952789761.db2.gz MAWIFPSUKPIYES-XZUYRWCXSA-N -1 3 381.389 0.482 20 0 GCADHM CCc1ncncc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571171060 952790843 /nfs/dbraw/zinc/79/08/43/952790843.db2.gz MXLJGOMHLWJJHJ-NSHDSACASA-N -1 3 381.400 0.192 20 0 GCADHM CCc1ncncc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571171060 952790847 /nfs/dbraw/zinc/79/08/47/952790847.db2.gz MXLJGOMHLWJJHJ-NSHDSACASA-N -1 3 381.400 0.192 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571171099 952791479 /nfs/dbraw/zinc/79/14/79/952791479.db2.gz OHUXIPZVYBHKNW-ZWNOBZJWSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571171099 952791482 /nfs/dbraw/zinc/79/14/82/952791482.db2.gz OHUXIPZVYBHKNW-ZWNOBZJWSA-N -1 3 381.400 0.545 20 0 GCADHM CCC(=O)N[C@@H]1CC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n2ccnc21 ZINC001571171315 952792544 /nfs/dbraw/zinc/79/25/44/952792544.db2.gz QVUGYYRUZMLTDY-GFCCVEGCSA-N -1 3 381.400 0.214 20 0 GCADHM CCC(=O)N[C@@H]1CC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n2ccnc21 ZINC001571171315 952792546 /nfs/dbraw/zinc/79/25/46/952792546.db2.gz QVUGYYRUZMLTDY-GFCCVEGCSA-N -1 3 381.400 0.214 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2occ3c2CCC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571171369 952792636 /nfs/dbraw/zinc/79/26/36/952792636.db2.gz RLCHPZQYFGOUTR-HAQNSBGRSA-N -1 3 381.396 0.967 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2occ3c2CCC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571171369 952792640 /nfs/dbraw/zinc/79/26/40/952792640.db2.gz RLCHPZQYFGOUTR-HAQNSBGRSA-N -1 3 381.396 0.967 20 0 GCADHM O=C(Cc1ccco1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571171823 952798261 /nfs/dbraw/zinc/79/82/61/952798261.db2.gz XIUJKMYQGYXQCJ-IAQYHMDHSA-N -1 3 381.396 0.703 20 0 GCADHM O=C(Cc1ccco1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571171823 952798265 /nfs/dbraw/zinc/79/82/65/952798265.db2.gz XIUJKMYQGYXQCJ-IAQYHMDHSA-N -1 3 381.396 0.703 20 0 GCADHM COc1cnc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571174872 952815058 /nfs/dbraw/zinc/81/50/58/952815058.db2.gz LGKALXPBLPPKAR-LLVKDONJSA-N -1 3 381.400 0.317 20 0 GCADHM COc1cnc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571174872 952815066 /nfs/dbraw/zinc/81/50/66/952815066.db2.gz LGKALXPBLPPKAR-LLVKDONJSA-N -1 3 381.400 0.317 20 0 GCADHM COc1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)ncn1 ZINC001571174886 952815422 /nfs/dbraw/zinc/81/54/22/952815422.db2.gz LMRUKGMUTODYIX-UHFFFAOYSA-N -1 3 381.400 0.331 20 0 GCADHM COc1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)ncn1 ZINC001571174886 952815425 /nfs/dbraw/zinc/81/54/25/952815425.db2.gz LMRUKGMUTODYIX-UHFFFAOYSA-N -1 3 381.400 0.331 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cccnn1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571175104 952817939 /nfs/dbraw/zinc/81/79/39/952817939.db2.gz PKPRJWDOGXIHTD-LBPRGKRZSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cccnn1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571175104 952817942 /nfs/dbraw/zinc/81/79/42/952817942.db2.gz PKPRJWDOGXIHTD-LBPRGKRZSA-N -1 3 381.400 0.362 20 0 GCADHM COc1cncc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571175322 952819240 /nfs/dbraw/zinc/81/92/40/952819240.db2.gz SJXYVLTYWAIPTF-NSHDSACASA-N -1 3 381.400 0.635 20 0 GCADHM COc1cncc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571175322 952819247 /nfs/dbraw/zinc/81/92/47/952819247.db2.gz SJXYVLTYWAIPTF-NSHDSACASA-N -1 3 381.400 0.635 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2)c1cn[nH]c1 ZINC001571175321 952819794 /nfs/dbraw/zinc/81/97/94/952819794.db2.gz ARINJLBPKZPYGX-QWHCGFSZSA-N -1 3 381.400 0.389 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2)c1cn[nH]c1 ZINC001571175321 952819799 /nfs/dbraw/zinc/81/97/99/952819799.db2.gz ARINJLBPKZPYGX-QWHCGFSZSA-N -1 3 381.400 0.389 20 0 GCADHM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1)c1cnc[nH]c1=O ZINC001571175447 952821933 /nfs/dbraw/zinc/82/19/33/952821933.db2.gz DCNXKXFCUBPASJ-GXFFZTMASA-N -1 3 381.400 0.768 20 0 GCADHM Cc1ccnc(C(=O)NC2CC(N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571175443 952822768 /nfs/dbraw/zinc/82/27/68/952822768.db2.gz CYJOMTWIKLMTQO-UHFFFAOYSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)NC2CC(N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571175443 952822775 /nfs/dbraw/zinc/82/27/75/952822775.db2.gz CYJOMTWIKLMTQO-UHFFFAOYSA-N -1 3 381.400 0.326 20 0 GCADHM COc1cc(C(=O)N(C)[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)ncn1 ZINC001571175617 952823800 /nfs/dbraw/zinc/82/38/00/952823800.db2.gz XGRCWBRZIGOOMC-LLVKDONJSA-N -1 3 381.400 0.411 20 0 GCADHM COc1cc(C(=O)N(C)[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)ncn1 ZINC001571175617 952823805 /nfs/dbraw/zinc/82/38/05/952823805.db2.gz XGRCWBRZIGOOMC-LLVKDONJSA-N -1 3 381.400 0.411 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1ccncn1 ZINC001571175634 952823965 /nfs/dbraw/zinc/82/39/65/952823965.db2.gz XRRDUVCKGGZQTE-LBPRGKRZSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1ccncn1 ZINC001571175634 952823972 /nfs/dbraw/zinc/82/39/72/952823972.db2.gz XRRDUVCKGGZQTE-LBPRGKRZSA-N -1 3 381.400 0.362 20 0 GCADHM COc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571175738 952824598 /nfs/dbraw/zinc/82/45/98/952824598.db2.gz YIVPNJLEMPXSKN-QMTHXVAHSA-N -1 3 381.400 0.633 20 0 GCADHM COc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571175738 952824604 /nfs/dbraw/zinc/82/46/04/952824604.db2.gz YIVPNJLEMPXSKN-QMTHXVAHSA-N -1 3 381.400 0.633 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)n1 ZINC001571175694 952825243 /nfs/dbraw/zinc/82/52/43/952825243.db2.gz FJBOZCPKNXWQAW-MNOVXSKESA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)n1 ZINC001571175694 952825253 /nfs/dbraw/zinc/82/52/53/952825253.db2.gz FJBOZCPKNXWQAW-MNOVXSKESA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H]2C)n1 ZINC001571175927 952827137 /nfs/dbraw/zinc/82/71/37/952827137.db2.gz IHOQZRDOYGQJED-KOLCDFICSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H]2C)n1 ZINC001571175927 952827142 /nfs/dbraw/zinc/82/71/42/952827142.db2.gz IHOQZRDOYGQJED-KOLCDFICSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nnn[n-]2)o1 ZINC001571175944 952828224 /nfs/dbraw/zinc/82/82/24/952828224.db2.gz IYWOLJSYJLPNDW-WXHSDQCUSA-N -1 3 381.400 0.422 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nn[n-]n2)o1 ZINC001571175944 952828230 /nfs/dbraw/zinc/82/82/30/952828230.db2.gz IYWOLJSYJLPNDW-WXHSDQCUSA-N -1 3 381.400 0.422 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ncccn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571176294 952829018 /nfs/dbraw/zinc/82/90/18/952829018.db2.gz OHGWDTWZEIIFKI-CMPLNLGQSA-N -1 3 381.400 0.313 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ncccn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571176294 952829020 /nfs/dbraw/zinc/82/90/20/952829020.db2.gz OHGWDTWZEIIFKI-CMPLNLGQSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001571176388 952830573 /nfs/dbraw/zinc/83/05/73/952830573.db2.gz QXUCDLICUREVDM-JOYOIKCWSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001571176388 952830579 /nfs/dbraw/zinc/83/05/79/952830579.db2.gz QXUCDLICUREVDM-JOYOIKCWSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nc(N2CC[C@@H]3CN(C(=O)c4cnon4)CC[C@H]32)ccc1-c1nnn[n-]1 ZINC001571176512 952832446 /nfs/dbraw/zinc/83/24/46/952832446.db2.gz SFHVQLSOGIJYSH-BXUZGUMPSA-N -1 3 381.400 0.694 20 0 GCADHM Cc1nc(N2CC[C@@H]3CN(C(=O)c4cnon4)CC[C@H]32)ccc1-c1nn[n-]n1 ZINC001571176512 952832454 /nfs/dbraw/zinc/83/24/54/952832454.db2.gz SFHVQLSOGIJYSH-BXUZGUMPSA-N -1 3 381.400 0.694 20 0 GCADHM O=C(N[C@H]1CCC[C@H](NC(=O)c2ccncn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571176607 952833015 /nfs/dbraw/zinc/83/30/15/952833015.db2.gz VSAKJOMIAMTSBK-RYUDHWBXSA-N -1 3 381.400 0.456 20 0 GCADHM O=C(N[C@H]1CCC[C@H](NC(=O)c2ccncn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571176607 952833018 /nfs/dbraw/zinc/83/30/18/952833018.db2.gz VSAKJOMIAMTSBK-RYUDHWBXSA-N -1 3 381.400 0.456 20 0 GCADHM Cc1nccc(C(=O)N2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001571176585 952833668 /nfs/dbraw/zinc/83/36/68/952833668.db2.gz VHKZEDOQXOWOLE-UHFFFAOYSA-N -1 3 381.400 0.282 20 0 GCADHM Cc1nccc(C(=O)N2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001571176585 952833673 /nfs/dbraw/zinc/83/36/73/952833673.db2.gz VHKZEDOQXOWOLE-UHFFFAOYSA-N -1 3 381.400 0.282 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ncccn1 ZINC001571176843 952834470 /nfs/dbraw/zinc/83/44/70/952834470.db2.gz YPEGVZCMDZDQCY-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ncccn1 ZINC001571176843 952834476 /nfs/dbraw/zinc/83/44/76/952834476.db2.gz YPEGVZCMDZDQCY-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM O=C(c1cn[nH]c(=O)c1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571178365 952839484 /nfs/dbraw/zinc/83/94/84/952839484.db2.gz GQUMHIBOBAYDSJ-CYBMUJFWSA-N -1 3 381.400 0.864 20 0 GCADHM O=C(c1cn[nH]c(=O)c1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571178365 952839491 /nfs/dbraw/zinc/83/94/91/952839491.db2.gz GQUMHIBOBAYDSJ-CYBMUJFWSA-N -1 3 381.400 0.864 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@@H]2C[C@H]1CN2Cc1noc(C2CC2)n1 ZINC001571178469 952842313 /nfs/dbraw/zinc/84/23/13/952842313.db2.gz JSPLUOSHMKNFRP-RYUDHWBXSA-N -1 3 381.400 0.554 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@@H]2C[C@H]1CN2Cc1noc(C2CC2)n1 ZINC001571178469 952842322 /nfs/dbraw/zinc/84/23/22/952842322.db2.gz JSPLUOSHMKNFRP-RYUDHWBXSA-N -1 3 381.400 0.554 20 0 GCADHM O=C(c1cc2n(n1)CCO2)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571178799 952848333 /nfs/dbraw/zinc/84/83/33/952848333.db2.gz URMATZVAWOHVBN-LLVKDONJSA-N -1 3 381.400 0.567 20 0 GCADHM O=C(c1cc2n(n1)CCO2)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571178799 952848340 /nfs/dbraw/zinc/84/83/40/952848340.db2.gz URMATZVAWOHVBN-LLVKDONJSA-N -1 3 381.400 0.567 20 0 GCADHM O=C(c1ccc(=O)[nH]n1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571178881 952849610 /nfs/dbraw/zinc/84/96/10/952849610.db2.gz XBNUSOCTZUESKR-GFCCVEGCSA-N -1 3 381.400 0.864 20 0 GCADHM O=C(c1ccc(=O)[nH]n1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571178881 952849615 /nfs/dbraw/zinc/84/96/15/952849615.db2.gz XBNUSOCTZUESKR-GFCCVEGCSA-N -1 3 381.400 0.864 20 0 GCADHM O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571180445 952860557 /nfs/dbraw/zinc/86/05/57/952860557.db2.gz OOPDASUZZQROQV-MXJLERKLSA-N -1 3 381.440 0.818 20 0 GCADHM O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571180445 952860559 /nfs/dbraw/zinc/86/05/59/952860559.db2.gz OOPDASUZZQROQV-MXJLERKLSA-N -1 3 381.440 0.818 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC001571181032 952863452 /nfs/dbraw/zinc/86/34/52/952863452.db2.gz UIAWJJJFAZURKF-XRMRDTNMSA-N -1 3 381.440 0.914 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC001571181032 952863461 /nfs/dbraw/zinc/86/34/61/952863461.db2.gz UIAWJJJFAZURKF-XRMRDTNMSA-N -1 3 381.440 0.914 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1C[C@@H]2C[C@H]1CN2Cc1cccc(-c2nn[n-]n2)c1 ZINC001571181799 952866178 /nfs/dbraw/zinc/86/61/78/952866178.db2.gz YKWPRKQKGKGWDI-PMPSAXMXSA-N -1 3 381.440 0.178 20 0 GCADHM C[C@@]12CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]1CN(C(=O)[C@@H]1CC13CC3)C2 ZINC001571183357 952876142 /nfs/dbraw/zinc/87/61/42/952876142.db2.gz YHKSNNABRKGRFJ-OAVHHTNSSA-N -1 3 381.440 0.915 20 0 GCADHM C[C@@]12CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]1CN(C(=O)[C@@H]1CC13CC3)C2 ZINC001571183357 952876146 /nfs/dbraw/zinc/87/61/46/952876146.db2.gz YHKSNNABRKGRFJ-OAVHHTNSSA-N -1 3 381.440 0.915 20 0 GCADHM CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571183313 952876867 /nfs/dbraw/zinc/87/68/67/952876867.db2.gz WRKGJOISXBMPPZ-UIWYYIFQSA-N -1 3 381.440 0.722 20 0 GCADHM CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571183313 952876869 /nfs/dbraw/zinc/87/68/69/952876869.db2.gz WRKGJOISXBMPPZ-UIWYYIFQSA-N -1 3 381.440 0.722 20 0 GCADHM CCc1c[nH]c(CC(=O)N(C)[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571183456 952878588 /nfs/dbraw/zinc/87/85/88/952878588.db2.gz APANDXRBNVJTDH-ZDUSSCGKSA-N -1 3 381.444 0.827 20 0 GCADHM CCc1c[nH]c(CC(=O)N(C)[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571183456 952878599 /nfs/dbraw/zinc/87/85/99/952878599.db2.gz APANDXRBNVJTDH-ZDUSSCGKSA-N -1 3 381.444 0.827 20 0 GCADHM CN(C)c1cc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)ccn1 ZINC001571184844 952898351 /nfs/dbraw/zinc/89/83/51/952898351.db2.gz FEVXJAMGBYMSAJ-CYBMUJFWSA-N -1 3 381.444 0.660 20 0 GCADHM CN(C)c1cc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)ccn1 ZINC001571184844 952898356 /nfs/dbraw/zinc/89/83/56/952898356.db2.gz FEVXJAMGBYMSAJ-CYBMUJFWSA-N -1 3 381.444 0.660 20 0 GCADHM CN(C)c1cc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)ccn1 ZINC001571184845 952898971 /nfs/dbraw/zinc/89/89/71/952898971.db2.gz FEVXJAMGBYMSAJ-ZDUSSCGKSA-N -1 3 381.444 0.660 20 0 GCADHM CN(C)c1cc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)ccn1 ZINC001571184845 952898973 /nfs/dbraw/zinc/89/89/73/952898973.db2.gz FEVXJAMGBYMSAJ-ZDUSSCGKSA-N -1 3 381.444 0.660 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CC2(C)C)cnn1C ZINC001571185038 952900019 /nfs/dbraw/zinc/90/00/19/952900019.db2.gz HBECUCLKVISQNK-OAHLLOKOSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CC2(C)C)cnn1C ZINC001571185038 952900021 /nfs/dbraw/zinc/90/00/21/952900021.db2.gz HBECUCLKVISQNK-OAHLLOKOSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1cncn1CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571188527 952916163 /nfs/dbraw/zinc/91/61/63/952916163.db2.gz KWJPXDCTSUCNEP-HNNXBMFYSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1nn(C)cc1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571188576 952917506 /nfs/dbraw/zinc/91/75/06/952917506.db2.gz DRBUBIPXYMIXIU-DOMZBBRYSA-N -1 3 381.444 0.630 20 0 GCADHM Cc1nn(C)cc1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571188576 952917508 /nfs/dbraw/zinc/91/75/08/952917508.db2.gz DRBUBIPXYMIXIU-DOMZBBRYSA-N -1 3 381.444 0.630 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571188809 952920328 /nfs/dbraw/zinc/92/03/28/952920328.db2.gz JSZWMKMRGQTBNQ-UHFFFAOYSA-N -1 3 381.444 0.965 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571188809 952920333 /nfs/dbraw/zinc/92/03/33/952920333.db2.gz JSZWMKMRGQTBNQ-UHFFFAOYSA-N -1 3 381.444 0.965 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(C(=O)Cc3cncn3C)[C@H]2C)n1 ZINC001571189045 952923773 /nfs/dbraw/zinc/92/37/73/952923773.db2.gz QPBIPJSKDIJIKV-SWLSCSKDSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)Cc3cncn3C)[C@H]2C)n1 ZINC001571189045 952923777 /nfs/dbraw/zinc/92/37/77/952923777.db2.gz QPBIPJSKDIJIKV-SWLSCSKDSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCN(C(=O)Cc3ccn(C)n3)C2)n1 ZINC001571189297 952928005 /nfs/dbraw/zinc/92/80/05/952928005.db2.gz UNSPOTPHZWOWCB-CQSZACIVSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCN(C(=O)Cc3ccn(C)n3)C2)n1 ZINC001571189297 952928007 /nfs/dbraw/zinc/92/80/07/952928007.db2.gz UNSPOTPHZWOWCB-CQSZACIVSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCCN(C(=O)Cc3ccn(C)n3)C2)n1 ZINC001571189295 952928423 /nfs/dbraw/zinc/92/84/23/952928423.db2.gz UNSPOTPHZWOWCB-AWEZNQCLSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCCN(C(=O)Cc3ccn(C)n3)C2)n1 ZINC001571189295 952928426 /nfs/dbraw/zinc/92/84/26/952928426.db2.gz UNSPOTPHZWOWCB-AWEZNQCLSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 ZINC001571189509 952930601 /nfs/dbraw/zinc/93/06/01/952930601.db2.gz WMSHAICZZSXWDR-CYBMUJFWSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@H]2CCN(C(=O)c3cnn(C)c3)C2)n1 ZINC001571189509 952930603 /nfs/dbraw/zinc/93/06/03/952930603.db2.gz WMSHAICZZSXWDR-CYBMUJFWSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CC2(C)C)n(C)n1 ZINC001571189628 952932661 /nfs/dbraw/zinc/93/26/61/952932661.db2.gz ZBHVALBWTQHUJJ-CQSZACIVSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CC2(C)C)n(C)n1 ZINC001571189628 952932665 /nfs/dbraw/zinc/93/26/65/952932665.db2.gz ZBHVALBWTQHUJJ-CQSZACIVSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC001571189781 952935230 /nfs/dbraw/zinc/93/52/30/952935230.db2.gz UQGXUSKZXIVEIY-DOMZBBRYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC001571189781 952935231 /nfs/dbraw/zinc/93/52/31/952935231.db2.gz UQGXUSKZXIVEIY-DOMZBBRYSA-N -1 3 381.444 0.948 20 0 GCADHM Cn1cc(C(=O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)cn1 ZINC001571190032 952938723 /nfs/dbraw/zinc/93/87/23/952938723.db2.gz CRQJZJLKLQMCDF-UHFFFAOYSA-N -1 3 381.805 0.415 20 0 GCADHM Cn1cc(C(=O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)cn1 ZINC001571190032 952938728 /nfs/dbraw/zinc/93/87/28/952938728.db2.gz CRQJZJLKLQMCDF-UHFFFAOYSA-N -1 3 381.805 0.415 20 0 GCADHM NC(=O)c1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571193913 952954563 /nfs/dbraw/zinc/95/45/63/952954563.db2.gz AWWALLXMOSKPGW-JGZJWPJOSA-N -1 3 382.384 0.574 20 0 GCADHM NC(=O)c1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571193913 952954567 /nfs/dbraw/zinc/95/45/67/952954567.db2.gz AWWALLXMOSKPGW-JGZJWPJOSA-N -1 3 382.384 0.574 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571193905 952954787 /nfs/dbraw/zinc/95/47/87/952954787.db2.gz ATOPDXKDECTUHW-LLVKDONJSA-N -1 3 382.384 0.352 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571193905 952954789 /nfs/dbraw/zinc/95/47/89/952954789.db2.gz ATOPDXKDECTUHW-LLVKDONJSA-N -1 3 382.384 0.352 20 0 GCADHM O=C(N[C@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1)C(F)F ZINC001571193993 952955511 /nfs/dbraw/zinc/95/55/11/952955511.db2.gz DEWNKJZMYFCUAR-SNVBAGLBSA-N -1 3 382.346 0.730 20 0 GCADHM O=C(N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1)C(F)F ZINC001571193993 952955516 /nfs/dbraw/zinc/95/55/16/952955516.db2.gz DEWNKJZMYFCUAR-SNVBAGLBSA-N -1 3 382.346 0.730 20 0 GCADHM Cc1nc(C(=O)N2CC[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)co1 ZINC001571193987 952955671 /nfs/dbraw/zinc/95/56/71/952955671.db2.gz DCVAVANEWDGLPD-IINYFYTJSA-N -1 3 382.384 0.478 20 0 GCADHM Cc1nc(C(=O)N2CC[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)co1 ZINC001571193987 952955674 /nfs/dbraw/zinc/95/56/74/952955674.db2.gz DCVAVANEWDGLPD-IINYFYTJSA-N -1 3 382.384 0.478 20 0 GCADHM Cc1nc(N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)ccc1-c1nnn[n-]1 ZINC001571193981 952956100 /nfs/dbraw/zinc/95/61/00/952956100.db2.gz CRYCCDKHCKYHLH-UHFFFAOYSA-N -1 3 382.384 0.224 20 0 GCADHM Cc1nc(N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)ccc1-c1nn[n-]n1 ZINC001571193981 952956103 /nfs/dbraw/zinc/95/61/03/952956103.db2.gz CRYCCDKHCKYHLH-UHFFFAOYSA-N -1 3 382.384 0.224 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)co1 ZINC001571194045 952956875 /nfs/dbraw/zinc/95/68/75/952956875.db2.gz FFQGXMNILBUTAR-UHFFFAOYSA-N -1 3 382.384 0.306 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)co1 ZINC001571194045 952956880 /nfs/dbraw/zinc/95/68/80/952956880.db2.gz FFQGXMNILBUTAR-UHFFFAOYSA-N -1 3 382.384 0.306 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194114 952958667 /nfs/dbraw/zinc/95/86/67/952958667.db2.gz GLZPLIHMEHTLJX-LBPRGKRZSA-N -1 3 382.384 0.330 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194114 952958677 /nfs/dbraw/zinc/95/86/77/952958677.db2.gz GLZPLIHMEHTLJX-LBPRGKRZSA-N -1 3 382.384 0.330 20 0 GCADHM COc1cccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571194482 952963024 /nfs/dbraw/zinc/96/30/24/952963024.db2.gz NUVORTVQUNUKHS-SNVBAGLBSA-N -1 3 382.384 0.243 20 0 GCADHM COc1cccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571194482 952963031 /nfs/dbraw/zinc/96/30/31/952963031.db2.gz NUVORTVQUNUKHS-SNVBAGLBSA-N -1 3 382.384 0.243 20 0 GCADHM Cc1ocnc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571194433 952963298 /nfs/dbraw/zinc/96/32/98/952963298.db2.gz MJPZOAYRKDLKOK-RTCCRHLQSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1ocnc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571194433 952963301 /nfs/dbraw/zinc/96/33/01/952963301.db2.gz MJPZOAYRKDLKOK-RTCCRHLQSA-N -1 3 382.384 0.239 20 0 GCADHM NC(=O)Cc1occc1C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571194649 952965626 /nfs/dbraw/zinc/96/56/26/952965626.db2.gz PQNFZMYNMSYGJN-SNVBAGLBSA-N -1 3 382.384 0.209 20 0 GCADHM NC(=O)Cc1occc1C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571194649 952965631 /nfs/dbraw/zinc/96/56/31/952965631.db2.gz PQNFZMYNMSYGJN-SNVBAGLBSA-N -1 3 382.384 0.209 20 0 GCADHM Cc1ncoc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571194617 952965987 /nfs/dbraw/zinc/96/59/87/952965987.db2.gz PAGAFKATPHTPSG-RTCCRHLQSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1ncoc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571194617 952965991 /nfs/dbraw/zinc/96/59/91/952965991.db2.gz PAGAFKATPHTPSG-RTCCRHLQSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1ocnc1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571194646 952966097 /nfs/dbraw/zinc/96/60/97/952966097.db2.gz PMFXLFVRUQVKKV-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM Cc1ocnc1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571194646 952966101 /nfs/dbraw/zinc/96/61/01/952966101.db2.gz PMFXLFVRUQVKKV-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM Cc1cnoc1C(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001571194668 952967303 /nfs/dbraw/zinc/96/73/03/952967303.db2.gz QCGSESLCPHNRCI-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM Cc1cnoc1C(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571194668 952967307 /nfs/dbraw/zinc/96/73/07/952967307.db2.gz QCGSESLCPHNRCI-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571194883 952969377 /nfs/dbraw/zinc/96/93/77/952969377.db2.gz UXBWJTBYIOBDGD-SECBINFHSA-N -1 3 382.384 0.186 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571194883 952969378 /nfs/dbraw/zinc/96/93/78/952969378.db2.gz UXBWJTBYIOBDGD-SECBINFHSA-N -1 3 382.384 0.186 20 0 GCADHM C[C@]1(CNC(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)CCC(=O)N1 ZINC001571194870 952970192 /nfs/dbraw/zinc/97/01/92/952970192.db2.gz ULRMBEJLJUKFGM-MRXNPFEDSA-N -1 3 382.388 0.238 20 0 GCADHM C[C@]1(CNC(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)CCC(=O)N1 ZINC001571194870 952970199 /nfs/dbraw/zinc/97/01/99/952970199.db2.gz ULRMBEJLJUKFGM-MRXNPFEDSA-N -1 3 382.388 0.238 20 0 GCADHM CCc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)co1 ZINC001571194903 952970733 /nfs/dbraw/zinc/97/07/33/952970733.db2.gz VXNPBTJOQUHJIG-QRJZZWFUSA-N -1 3 382.384 0.246 20 0 GCADHM CCc1nc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)co1 ZINC001571194903 952970737 /nfs/dbraw/zinc/97/07/37/952970737.db2.gz VXNPBTJOQUHJIG-QRJZZWFUSA-N -1 3 382.384 0.246 20 0 GCADHM Cc1cc(OCC(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nc2)no1 ZINC001571194900 952971505 /nfs/dbraw/zinc/97/15/05/952971505.db2.gz VNMZIESSUZKULD-STQMWFEESA-N -1 3 382.384 0.427 20 0 GCADHM Cc1cc(OCC(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nc2)no1 ZINC001571194900 952971510 /nfs/dbraw/zinc/97/15/10/952971510.db2.gz VNMZIESSUZKULD-STQMWFEESA-N -1 3 382.384 0.427 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571195015 952972824 /nfs/dbraw/zinc/97/28/24/952972824.db2.gz WGCDXWWFRUTADO-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571195015 952972828 /nfs/dbraw/zinc/97/28/28/952972828.db2.gz WGCDXWWFRUTADO-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)n1 ZINC001571195227 952976171 /nfs/dbraw/zinc/97/61/71/952976171.db2.gz ZWRUBWHPMQULIJ-SNVBAGLBSA-N -1 3 382.388 0.177 20 0 GCADHM Cc1ccc(C(=O)NCC2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)nn1 ZINC001571196797 952984192 /nfs/dbraw/zinc/98/41/92/952984192.db2.gz OCNIFYLGIGGVTF-UHFFFAOYSA-N -1 3 382.403 0.966 20 0 GCADHM COc1cccc(CN2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571198557 952991462 /nfs/dbraw/zinc/99/14/62/952991462.db2.gz CBSLRMLEWJUKJU-CQSZACIVSA-N -1 3 382.428 0.945 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC001571199072 952996361 /nfs/dbraw/zinc/99/63/61/952996361.db2.gz LABVMTDZOAQHID-UHFFFAOYSA-N -1 3 382.428 0.947 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)cc2)nn1C ZINC001571199181 952996406 /nfs/dbraw/zinc/99/64/06/952996406.db2.gz MUUPDXXTWLPGMV-AWEZNQCLSA-N -1 3 382.428 0.613 20 0 GCADHM Cc1c(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)ccn1C ZINC001571199535 953000615 /nfs/dbraw/zinc/00/06/15/953000615.db2.gz UPMVTKFGZFVCQY-AWEZNQCLSA-N -1 3 382.428 0.862 20 0 GCADHM Cc1c(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)ccn1C ZINC001571199535 953000621 /nfs/dbraw/zinc/00/06/21/953000621.db2.gz UPMVTKFGZFVCQY-AWEZNQCLSA-N -1 3 382.428 0.862 20 0 GCADHM Cc1nc[nH]c1C(=O)NC[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001571199593 953002187 /nfs/dbraw/zinc/00/21/87/953002187.db2.gz WDSBQLIVPIBYOO-OAHLLOKOSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1nc[nH]c1C(=O)NC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001571199593 953002191 /nfs/dbraw/zinc/00/21/91/953002191.db2.gz WDSBQLIVPIBYOO-OAHLLOKOSA-N -1 3 382.428 0.529 20 0 GCADHM CCc1[nH]ccc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571199649 953002564 /nfs/dbraw/zinc/00/25/64/953002564.db2.gz XRVLHDJDWPQUIR-JTQLQIEISA-N -1 3 382.428 0.976 20 0 GCADHM CCc1[nH]ccc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571199649 953002571 /nfs/dbraw/zinc/00/25/71/953002571.db2.gz XRVLHDJDWPQUIR-JTQLQIEISA-N -1 3 382.428 0.976 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571201325 953016571 /nfs/dbraw/zinc/01/65/71/953016571.db2.gz JZAHJBQITBERLP-NSHDSACASA-N -1 3 382.428 0.732 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571201325 953016576 /nfs/dbraw/zinc/01/65/76/953016576.db2.gz JZAHJBQITBERLP-NSHDSACASA-N -1 3 382.428 0.732 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571201424 953017491 /nfs/dbraw/zinc/01/74/91/953017491.db2.gz PWKCCRDPNXBLNP-BXUZGUMPSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571201424 953017499 /nfs/dbraw/zinc/01/74/99/953017499.db2.gz PWKCCRDPNXBLNP-BXUZGUMPSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001571201503 953018955 /nfs/dbraw/zinc/01/89/55/953018955.db2.gz QUXXTXDHFRBFHR-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001571201503 953018959 /nfs/dbraw/zinc/01/89/59/953018959.db2.gz QUXXTXDHFRBFHR-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001571201511 953018985 /nfs/dbraw/zinc/01/89/85/953018985.db2.gz QUXXTXDHFRBFHR-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001571201511 953018993 /nfs/dbraw/zinc/01/89/93/953018993.db2.gz QUXXTXDHFRBFHR-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571202142 953023219 /nfs/dbraw/zinc/02/32/19/953023219.db2.gz REAJJZZDZUBBNV-RYUDHWBXSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571202142 953023221 /nfs/dbraw/zinc/02/32/21/953023221.db2.gz REAJJZZDZUBBNV-RYUDHWBXSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)n1C ZINC001571202789 953028966 /nfs/dbraw/zinc/02/89/66/953028966.db2.gz YSWIJPBLMQWDHI-CZUORRHYSA-N -1 3 382.428 0.278 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)n1C ZINC001571202789 953028967 /nfs/dbraw/zinc/02/89/67/953028967.db2.gz YSWIJPBLMQWDHI-CZUORRHYSA-N -1 3 382.428 0.278 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571204579 953030054 /nfs/dbraw/zinc/03/00/54/953030054.db2.gz BGYQRAMTHFCWIA-DGCLKSJQSA-N -1 3 382.432 0.106 20 0 GCADHM CCN(C(=O)c1nnn(C)c1C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571204560 953030397 /nfs/dbraw/zinc/03/03/97/953030397.db2.gz BCMQMNDXQJDIOL-ZDUSSCGKSA-N -1 3 382.432 0.440 20 0 GCADHM CCN(C(=O)c1nnn(C)c1C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571204560 953030401 /nfs/dbraw/zinc/03/04/01/953030401.db2.gz BCMQMNDXQJDIOL-ZDUSSCGKSA-N -1 3 382.432 0.440 20 0 GCADHM CCc1nc(N[C@@H]2CCN(C(=O)Cn3ccnc3)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571204570 953030544 /nfs/dbraw/zinc/03/05/44/953030544.db2.gz BGCPAIGABGPOTD-NWDGAFQWSA-N -1 3 382.432 0.517 20 0 GCADHM Cn1cccc1C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571204675 953031799 /nfs/dbraw/zinc/03/17/99/953031799.db2.gz BQHQOJGFCDEBCE-CQSZACIVSA-N -1 3 382.428 0.943 20 0 GCADHM Cn1cccc1C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571204675 953031806 /nfs/dbraw/zinc/03/18/06/953031806.db2.gz BQHQOJGFCDEBCE-CQSZACIVSA-N -1 3 382.428 0.943 20 0 GCADHM CCc1nnc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc1CC ZINC001571204835 953032993 /nfs/dbraw/zinc/03/29/93/953032993.db2.gz CPZKVFVSXFRATR-NSHDSACASA-N -1 3 382.432 0.513 20 0 GCADHM CCc1nnc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc1CC ZINC001571204835 953032996 /nfs/dbraw/zinc/03/29/96/953032996.db2.gz CPZKVFVSXFRATR-NSHDSACASA-N -1 3 382.432 0.513 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)c2N)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571204869 953033224 /nfs/dbraw/zinc/03/32/24/953033224.db2.gz DHZHHPDXWJNQIA-ZYHUDNBSSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2cnn(C)c2N)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571204869 953033225 /nfs/dbraw/zinc/03/32/25/953033225.db2.gz DHZHHPDXWJNQIA-ZYHUDNBSSA-N -1 3 382.432 0.365 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571204968 953034644 /nfs/dbraw/zinc/03/46/44/953034644.db2.gz DZTQSDMJDVOSFD-MELADBBJSA-N -1 3 382.428 0.110 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571204968 953034647 /nfs/dbraw/zinc/03/46/47/953034647.db2.gz DZTQSDMJDVOSFD-MELADBBJSA-N -1 3 382.428 0.110 20 0 GCADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC(=O)N2)C3)ccc1-c1nnn[n-]1 ZINC001571204975 953034685 /nfs/dbraw/zinc/03/46/85/953034685.db2.gz FCHRTAIEBUGQOC-ZRJCITRHSA-N -1 3 382.428 0.075 20 0 GCADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC(=O)N2)C3)ccc1-c1nn[n-]n1 ZINC001571204975 953034689 /nfs/dbraw/zinc/03/46/89/953034689.db2.gz FCHRTAIEBUGQOC-ZRJCITRHSA-N -1 3 382.428 0.075 20 0 GCADHM Cn1cnc(C(=O)NC[C@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC001571204949 953034868 /nfs/dbraw/zinc/03/48/68/953034868.db2.gz DPXYHIGWJBUWOQ-HNNXBMFYSA-N -1 3 382.428 0.231 20 0 GCADHM Cn1cnc(C(=O)NC[C@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC001571204949 953034874 /nfs/dbraw/zinc/03/48/74/953034874.db2.gz DPXYHIGWJBUWOQ-HNNXBMFYSA-N -1 3 382.428 0.231 20 0 GCADHM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001571205143 953035614 /nfs/dbraw/zinc/03/56/14/953035614.db2.gz GJHUHJSYTYTEIJ-UHFFFAOYSA-N -1 3 382.432 0.806 20 0 GCADHM CCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001571205143 953035619 /nfs/dbraw/zinc/03/56/19/953035619.db2.gz GJHUHJSYTYTEIJ-UHFFFAOYSA-N -1 3 382.432 0.806 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001571205142 953036317 /nfs/dbraw/zinc/03/63/17/953036317.db2.gz GHQQXTLJOLHFMS-STQMWFEESA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001571205142 953036322 /nfs/dbraw/zinc/03/63/22/953036322.db2.gz GHQQXTLJOLHFMS-STQMWFEESA-N -1 3 382.432 0.592 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571205156 953036492 /nfs/dbraw/zinc/03/64/92/953036492.db2.gz GRRZCAIALQYTFR-DGCLKSJQSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571205156 953036497 /nfs/dbraw/zinc/03/64/97/953036497.db2.gz GRRZCAIALQYTFR-DGCLKSJQSA-N -1 3 382.432 0.836 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571205173 953036526 /nfs/dbraw/zinc/03/65/26/953036526.db2.gz GVFPCIBPLQPYPS-TZMCWYRMSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571205173 953036529 /nfs/dbraw/zinc/03/65/29/953036529.db2.gz GVFPCIBPLQPYPS-TZMCWYRMSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2cnnn2C)CC1 ZINC001571205145 953036594 /nfs/dbraw/zinc/03/65/94/953036594.db2.gz GKZWTCMGSMLZEW-LLVKDONJSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2cnnn2C)CC1 ZINC001571205145 953036598 /nfs/dbraw/zinc/03/65/98/953036598.db2.gz GKZWTCMGSMLZEW-LLVKDONJSA-N -1 3 382.432 0.743 20 0 GCADHM CCCn1cc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571205590 953039489 /nfs/dbraw/zinc/03/94/89/953039489.db2.gz LJGYOHPULWOTMF-ZDUSSCGKSA-N -1 3 382.432 0.614 20 0 GCADHM CCCn1cc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571205590 953039490 /nfs/dbraw/zinc/03/94/90/953039490.db2.gz LJGYOHPULWOTMF-ZDUSSCGKSA-N -1 3 382.432 0.614 20 0 GCADHM CC(C)n1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001571205625 953040150 /nfs/dbraw/zinc/04/01/50/953040150.db2.gz JZCJPFHZOVPUDI-NHAGDIPZSA-N -1 3 382.432 0.227 20 0 GCADHM CC(C)n1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001571205625 953040152 /nfs/dbraw/zinc/04/01/52/953040152.db2.gz JZCJPFHZOVPUDI-NHAGDIPZSA-N -1 3 382.432 0.227 20 0 GCADHM CCCn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)nn1 ZINC001571205668 953040666 /nfs/dbraw/zinc/04/06/66/953040666.db2.gz MRYMYYZIAMJCTF-GFCCVEGCSA-N -1 3 382.432 0.580 20 0 GCADHM CCCn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)nn1 ZINC001571205668 953040670 /nfs/dbraw/zinc/04/06/70/953040670.db2.gz MRYMYYZIAMJCTF-GFCCVEGCSA-N -1 3 382.432 0.580 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571205843 953043178 /nfs/dbraw/zinc/04/31/78/953043178.db2.gz BWKDASMWGABXIS-LBPRGKRZSA-N -1 3 382.432 0.580 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571205843 953043183 /nfs/dbraw/zinc/04/31/83/953043183.db2.gz BWKDASMWGABXIS-LBPRGKRZSA-N -1 3 382.432 0.580 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CC[C@H](CNc3ncccc3-c3nnn[n-]3)C2)nnn1C ZINC001571205866 953043660 /nfs/dbraw/zinc/04/36/60/953043660.db2.gz CLZORAUSDVRDOG-NWDGAFQWSA-N -1 3 382.432 0.709 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CC[C@H](CNc3ncccc3-c3nn[n-]n3)C2)nnn1C ZINC001571205866 953043664 /nfs/dbraw/zinc/04/36/64/953043664.db2.gz CLZORAUSDVRDOG-NWDGAFQWSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCn1cncn1 ZINC001571205907 953043842 /nfs/dbraw/zinc/04/38/42/953043842.db2.gz NXWADIKSHVFPBF-OCCSQVGLSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCn1cncn1 ZINC001571205907 953043846 /nfs/dbraw/zinc/04/38/46/953043846.db2.gz NXWADIKSHVFPBF-OCCSQVGLSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571205958 953044494 /nfs/dbraw/zinc/04/44/94/953044494.db2.gz OXESJJJYKSHNFX-YPMHNXCESA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571205958 953044497 /nfs/dbraw/zinc/04/44/97/953044497.db2.gz OXESJJJYKSHNFX-YPMHNXCESA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571205957 953044751 /nfs/dbraw/zinc/04/47/51/953044751.db2.gz OXESJJJYKSHNFX-WCQYABFASA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571205957 953044753 /nfs/dbraw/zinc/04/47/53/953044753.db2.gz OXESJJJYKSHNFX-WCQYABFASA-N -1 3 382.432 0.601 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)CCc1c[nH]cn1)c1cncc(-c2nnn[n-]2)n1 ZINC001571206136 953046733 /nfs/dbraw/zinc/04/67/33/953046733.db2.gz DPTPKYTVMQMQCV-CYBMUJFWSA-N -1 3 382.432 0.440 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)CCc1c[nH]cn1)c1cncc(-c2nn[n-]n2)n1 ZINC001571206136 953046738 /nfs/dbraw/zinc/04/67/38/953046738.db2.gz DPTPKYTVMQMQCV-CYBMUJFWSA-N -1 3 382.432 0.440 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)Cn2cncn2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571206127 953047078 /nfs/dbraw/zinc/04/70/78/953047078.db2.gz DLVXGFNDAOHGND-CYBMUJFWSA-N -1 3 382.432 0.228 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)Cn2cncn2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571206127 953047080 /nfs/dbraw/zinc/04/70/80/953047080.db2.gz DLVXGFNDAOHGND-CYBMUJFWSA-N -1 3 382.432 0.228 20 0 GCADHM CN(C(=O)C(C)(C)c1cnc[nH]1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206094 953047529 /nfs/dbraw/zinc/04/75/29/953047529.db2.gz CYRSJTISFGYJJI-NSHDSACASA-N -1 3 382.432 0.395 20 0 GCADHM CN(C(=O)C(C)(C)c1cnc[nH]1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206094 953047532 /nfs/dbraw/zinc/04/75/32/953047532.db2.gz CYRSJTISFGYJJI-NSHDSACASA-N -1 3 382.432 0.395 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001571206398 953051034 /nfs/dbraw/zinc/05/10/34/953051034.db2.gz GHOGFFIHUVTBQB-CYBMUJFWSA-N -1 3 382.432 0.580 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571206505 953052314 /nfs/dbraw/zinc/05/23/14/953052314.db2.gz VBZQQPLGMPTZKN-WCQYABFASA-N -1 3 382.432 0.662 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571206505 953052315 /nfs/dbraw/zinc/05/23/15/953052315.db2.gz VBZQQPLGMPTZKN-WCQYABFASA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001571206576 953052760 /nfs/dbraw/zinc/05/27/60/953052760.db2.gz RCFBEZZGPRDXIX-MRVWCRGKSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001571206576 953052762 /nfs/dbraw/zinc/05/27/62/953052762.db2.gz RCFBEZZGPRDXIX-MRVWCRGKSA-N -1 3 382.432 0.954 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)CCn2cncn2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571206595 953052936 /nfs/dbraw/zinc/05/29/36/953052936.db2.gz IKKLOPGNNWHIHE-ZDUSSCGKSA-N -1 3 382.432 0.228 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)CCn2cncn2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571206595 953052940 /nfs/dbraw/zinc/05/29/40/953052940.db2.gz IKKLOPGNNWHIHE-ZDUSSCGKSA-N -1 3 382.432 0.228 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)n1 ZINC001571206684 953054175 /nfs/dbraw/zinc/05/41/75/953054175.db2.gz IXLYPSFGHBDFLU-VXGBXAGGSA-N -1 3 382.432 0.978 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)n1 ZINC001571206684 953054177 /nfs/dbraw/zinc/05/41/77/953054177.db2.gz IXLYPSFGHBDFLU-VXGBXAGGSA-N -1 3 382.432 0.978 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CCN(C(=O)c2ncn(C)n2)CC1 ZINC001571206765 953054647 /nfs/dbraw/zinc/05/46/47/953054647.db2.gz XEJZBEPUMNDRAJ-LLVKDONJSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CCN(C(=O)c2ncn(C)n2)CC1 ZINC001571206765 953054649 /nfs/dbraw/zinc/05/46/49/953054649.db2.gz XEJZBEPUMNDRAJ-LLVKDONJSA-N -1 3 382.432 0.743 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 ZINC001571206740 953054798 /nfs/dbraw/zinc/05/47/98/953054798.db2.gz KBLYIOIJCJDSMT-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 ZINC001571206740 953054800 /nfs/dbraw/zinc/05/48/00/953054800.db2.gz KBLYIOIJCJDSMT-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571206714 953054808 /nfs/dbraw/zinc/05/48/08/953054808.db2.gz JUDCUEMEPPSXKK-CYBMUJFWSA-N -1 3 382.432 0.440 20 0 GCADHM CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)CCc2cn[nH]c2)C1 ZINC001571206714 953054811 /nfs/dbraw/zinc/05/48/11/953054811.db2.gz JUDCUEMEPPSXKK-CYBMUJFWSA-N -1 3 382.432 0.440 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@@H]2C)nnn1C ZINC001571206774 953054950 /nfs/dbraw/zinc/05/49/50/953054950.db2.gz KOMLPJCLFYUFRF-GXFFZTMASA-N -1 3 382.432 0.804 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@@H]2C)nnn1C ZINC001571206774 953054954 /nfs/dbraw/zinc/05/49/54/953054954.db2.gz KOMLPJCLFYUFRF-GXFFZTMASA-N -1 3 382.432 0.804 20 0 GCADHM C[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2ccnn2C)CC1 ZINC001571206781 953054974 /nfs/dbraw/zinc/05/49/74/953054974.db2.gz XFASBTDGYCFJQI-NSHDSACASA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2ccnn2C)CC1 ZINC001571206781 953054977 /nfs/dbraw/zinc/05/49/77/953054977.db2.gz XFASBTDGYCFJQI-NSHDSACASA-N -1 3 382.432 0.743 20 0 GCADHM CC(C)(C)n1nnc(CNC(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)n1 ZINC001571206945 953056945 /nfs/dbraw/zinc/05/69/45/953056945.db2.gz UQOWHSMFYKHNAW-CYBMUJFWSA-N -1 3 382.432 0.575 20 0 GCADHM CC(C)(C)n1nnc(CNC(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)n1 ZINC001571206945 953056949 /nfs/dbraw/zinc/05/69/49/953056949.db2.gz UQOWHSMFYKHNAW-CYBMUJFWSA-N -1 3 382.432 0.575 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571206929 953057055 /nfs/dbraw/zinc/05/70/55/953057055.db2.gz UBKVDFFIBJTELO-KFWWJZLASA-N -1 3 382.428 0.110 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571206929 953057060 /nfs/dbraw/zinc/05/70/60/953057060.db2.gz UBKVDFFIBJTELO-KFWWJZLASA-N -1 3 382.428 0.110 20 0 GCADHM CC(C)(C)n1nnc(CNC(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)n1 ZINC001571206946 953057245 /nfs/dbraw/zinc/05/72/45/953057245.db2.gz UQOWHSMFYKHNAW-ZDUSSCGKSA-N -1 3 382.432 0.575 20 0 GCADHM CC(C)(C)n1nnc(CNC(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)n1 ZINC001571206946 953057248 /nfs/dbraw/zinc/05/72/48/953057248.db2.gz UQOWHSMFYKHNAW-ZDUSSCGKSA-N -1 3 382.432 0.575 20 0 GCADHM Cn1cccc1C(=O)N[C@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571206906 953057420 /nfs/dbraw/zinc/05/74/20/953057420.db2.gz SQRNZJCYSVHXGB-YPMHNXCESA-N -1 3 382.428 0.862 20 0 GCADHM Cn1cccc1C(=O)N[C@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571206906 953057424 /nfs/dbraw/zinc/05/74/24/953057424.db2.gz SQRNZJCYSVHXGB-YPMHNXCESA-N -1 3 382.428 0.862 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571207016 953057938 /nfs/dbraw/zinc/05/79/38/953057938.db2.gz ZTHORPFIKMADSK-OLZOCXBDSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571207016 953057941 /nfs/dbraw/zinc/05/79/41/953057941.db2.gz ZTHORPFIKMADSK-OLZOCXBDSA-N -1 3 382.432 0.592 20 0 GCADHM CCc1c[nH]c(CC(=O)N2C[C@@H](C)[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571206997 953058570 /nfs/dbraw/zinc/05/85/70/953058570.db2.gz ZBUVFBAMDGKEFJ-MFKMUULPSA-N -1 3 382.432 0.444 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571207473 953063868 /nfs/dbraw/zinc/06/38/68/953063868.db2.gz SIKVUJGXCUIGQX-LBPRGKRZSA-N -1 3 382.432 0.297 20 0 GCADHM Cn1ncc(CN2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571210642 953074308 /nfs/dbraw/zinc/07/43/08/953074308.db2.gz VGESZHGSMMXONG-CABCVRRESA-N -1 3 382.432 0.202 20 0 GCADHM Cn1ncc(CN2CC[C@H]3[C@H]2CCCN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571210642 953074311 /nfs/dbraw/zinc/07/43/11/953074311.db2.gz VGESZHGSMMXONG-CABCVRRESA-N -1 3 382.432 0.202 20 0 GCADHM CCOC(=O)[C@@H](C[C@@H](C)CC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571210853 953075218 /nfs/dbraw/zinc/07/52/18/953075218.db2.gz YMKDNHFBJXWLEV-CMPLNLGQSA-N -1 3 382.446 0.908 20 0 GCADHM CCOC(=O)[C@@H](C[C@@H](C)CC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571210853 953075222 /nfs/dbraw/zinc/07/52/22/953075222.db2.gz YMKDNHFBJXWLEV-CMPLNLGQSA-N -1 3 382.446 0.908 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)c(C)n3)C2)[nH]1 ZINC001571211417 953076285 /nfs/dbraw/zinc/07/62/85/953076285.db2.gz AJPUZSCDVUSRFU-LBPRGKRZSA-N -1 3 382.432 0.276 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)Cn3cncn3)C[C@H]2C)ccc1-c1nnn[n-]1 ZINC001571211469 953077051 /nfs/dbraw/zinc/07/70/51/953077051.db2.gz BGRWOAVBCQULHN-DGCLKSJQSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)Cn3cncn3)C[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571211469 953077053 /nfs/dbraw/zinc/07/70/53/953077053.db2.gz BGRWOAVBCQULHN-DGCLKSJQSA-N -1 3 382.432 0.335 20 0 GCADHM Cn1cnnc1CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571211621 953078760 /nfs/dbraw/zinc/07/87/60/953078760.db2.gz CUZIOJRMSVUKLF-KBPBESRZSA-N -1 3 382.432 0.202 20 0 GCADHM Cn1cnnc1CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571211621 953078765 /nfs/dbraw/zinc/07/87/65/953078765.db2.gz CUZIOJRMSVUKLF-KBPBESRZSA-N -1 3 382.432 0.202 20 0 GCADHM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001571211717 953080351 /nfs/dbraw/zinc/08/03/51/953080351.db2.gz DDSSGJYNKUTIFM-IMJJTQAJSA-N -1 3 382.472 0.641 20 0 GCADHM C[C@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001571211717 953080354 /nfs/dbraw/zinc/08/03/54/953080354.db2.gz DDSSGJYNKUTIFM-IMJJTQAJSA-N -1 3 382.472 0.641 20 0 GCADHM Cc1nc(N[C@H]2CN(C(=O)Cn3cncn3)CC2(C)C)ccc1-c1nnn[n-]1 ZINC001571211908 953082547 /nfs/dbraw/zinc/08/25/47/953082547.db2.gz IKLTTXJCPAAETB-ZDUSSCGKSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nc(N[C@H]2CN(C(=O)Cn3cncn3)CC2(C)C)ccc1-c1nn[n-]n1 ZINC001571211908 953082551 /nfs/dbraw/zinc/08/25/51/953082551.db2.gz IKLTTXJCPAAETB-ZDUSSCGKSA-N -1 3 382.432 0.511 20 0 GCADHM Cn1ccnc1CCC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571211925 953083092 /nfs/dbraw/zinc/08/30/92/953083092.db2.gz ISGHNZKAIWFGBM-UHFFFAOYSA-N -1 3 382.432 0.062 20 0 GCADHM CC1(C(=O)N2CC[C@H](N3CCN(c4ccc(-c5nnn[n-]5)nc4)CC3)C2)CC1 ZINC001571212071 953084209 /nfs/dbraw/zinc/08/42/09/953084209.db2.gz IKBSHCZDEKFQPE-HNNXBMFYSA-N -1 3 382.472 0.785 20 0 GCADHM CC1(C(=O)N2CC[C@H](N3CCN(c4ccc(-c5nn[n-]n5)nc4)CC3)C2)CC1 ZINC001571212071 953084214 /nfs/dbraw/zinc/08/42/14/953084214.db2.gz IKBSHCZDEKFQPE-HNNXBMFYSA-N -1 3 382.472 0.785 20 0 GCADHM Cc1nccn1CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571212183 953084735 /nfs/dbraw/zinc/08/47/35/953084735.db2.gz KPCYSCPPPLUQPA-ZDUSSCGKSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1nccn1CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571212183 953084740 /nfs/dbraw/zinc/08/47/40/953084740.db2.gz KPCYSCPPPLUQPA-ZDUSSCGKSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1cncn1CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571212188 953085417 /nfs/dbraw/zinc/08/54/17/953085417.db2.gz KRGDVMOUCVAELE-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1cncn1CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571212188 953085422 /nfs/dbraw/zinc/08/54/22/953085422.db2.gz KRGDVMOUCVAELE-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1nc(C)c(C(=O)N2CC[C@@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571212364 953086638 /nfs/dbraw/zinc/08/66/38/953086638.db2.gz MQEKCCWDWJKNLI-KRWDZBQOSA-N -1 3 382.432 0.961 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571212371 953088512 /nfs/dbraw/zinc/08/85/12/953088512.db2.gz MTYHFYNQMTZPPL-DGCLKSJQSA-N -1 3 382.432 0.791 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571212371 953088515 /nfs/dbraw/zinc/08/85/15/953088515.db2.gz MTYHFYNQMTZPPL-DGCLKSJQSA-N -1 3 382.432 0.791 20 0 GCADHM Cn1cnnc1CN1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@@H]21 ZINC001571212714 953090154 /nfs/dbraw/zinc/09/01/54/953090154.db2.gz OJYDDUBONHEDGF-RISCZKNCSA-N -1 3 382.432 0.060 20 0 GCADHM Cn1cnnc1CN1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@@H]21 ZINC001571212714 953090157 /nfs/dbraw/zinc/09/01/57/953090157.db2.gz OJYDDUBONHEDGF-RISCZKNCSA-N -1 3 382.432 0.060 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCCN(C(=O)Cn3cncn3)C2)n1 ZINC001571212844 953090351 /nfs/dbraw/zinc/09/03/51/953090351.db2.gz PQCMDFWNBVRIJQ-ZDUSSCGKSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCCN(C(=O)Cn3cncn3)C2)n1 ZINC001571212844 953090356 /nfs/dbraw/zinc/09/03/56/953090356.db2.gz PQCMDFWNBVRIJQ-ZDUSSCGKSA-N -1 3 382.432 0.512 20 0 GCADHM Cn1cnnc1CN1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@H]21 ZINC001571212715 953090590 /nfs/dbraw/zinc/09/05/90/953090590.db2.gz OJYDDUBONHEDGF-SMDDNHRTSA-N -1 3 382.432 0.060 20 0 GCADHM Cn1cnnc1CN1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@H]21 ZINC001571212715 953090592 /nfs/dbraw/zinc/09/05/92/953090592.db2.gz OJYDDUBONHEDGF-SMDDNHRTSA-N -1 3 382.432 0.060 20 0 GCADHM Cn1cc(C(=O)N2CCCCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571212753 953090750 /nfs/dbraw/zinc/09/07/50/953090750.db2.gz OUOXREASJKCROA-CYBMUJFWSA-N -1 3 382.432 0.887 20 0 GCADHM Cn1cc(C(=O)N2CCCCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571212753 953090752 /nfs/dbraw/zinc/09/07/52/953090752.db2.gz OUOXREASJKCROA-CYBMUJFWSA-N -1 3 382.432 0.887 20 0 GCADHM Cc1nc(N2CCCN(C(=O)c3cnn(C)c3N)CC2)ccc1-c1nnn[n-]1 ZINC001571213045 953092381 /nfs/dbraw/zinc/09/23/81/953092381.db2.gz QACDOABZOGZKRX-UHFFFAOYSA-N -1 3 382.432 0.238 20 0 GCADHM Cc1nc(N2CCCN(C(=O)c3cnn(C)c3N)CC2)ccc1-c1nn[n-]n1 ZINC001571213045 953092385 /nfs/dbraw/zinc/09/23/85/953092385.db2.gz QACDOABZOGZKRX-UHFFFAOYSA-N -1 3 382.432 0.238 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCN(C(=O)CCn3cncn3)C2)n1 ZINC001571213503 953095673 /nfs/dbraw/zinc/09/56/73/953095673.db2.gz VHKQIPZLTRFFEJ-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCN(C(=O)CCn3cncn3)C2)n1 ZINC001571213503 953095678 /nfs/dbraw/zinc/09/56/78/953095678.db2.gz VHKQIPZLTRFFEJ-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@H](C)[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571213832 953097674 /nfs/dbraw/zinc/09/76/74/953097674.db2.gz XLXOTTPAXYWSGO-CMPLNLGQSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1nc(NC2CCC(NC(=O)Cn3cncn3)CC2)ccc1-c1nnn[n-]1 ZINC001571214161 953100342 /nfs/dbraw/zinc/10/03/42/953100342.db2.gz YROOLOBYSFGXPN-UHFFFAOYSA-N -1 3 382.432 0.701 20 0 GCADHM Cc1nc(NC2CCC(NC(=O)Cn3cncn3)CC2)ccc1-c1nn[n-]n1 ZINC001571214161 953100345 /nfs/dbraw/zinc/10/03/45/953100345.db2.gz YROOLOBYSFGXPN-UHFFFAOYSA-N -1 3 382.432 0.701 20 0 GCADHM NC(=O)C12CCC(CC1)N2S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001571216745 953103242 /nfs/dbraw/zinc/10/32/42/953103242.db2.gz AEDISXIEKPWLRU-UHFFFAOYSA-N -1 3 382.833 0.691 20 0 GCADHM NC(=O)C12CCC(CC1)N2S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001571216745 953103246 /nfs/dbraw/zinc/10/32/46/953103246.db2.gz AEDISXIEKPWLRU-UHFFFAOYSA-N -1 3 382.833 0.691 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001571216694 953103510 /nfs/dbraw/zinc/10/35/10/953103510.db2.gz BTEYKAFNYHOBNO-HIFRSBDPSA-N -1 3 383.387 0.689 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001571216694 953103517 /nfs/dbraw/zinc/10/35/17/953103517.db2.gz BTEYKAFNYHOBNO-HIFRSBDPSA-N -1 3 383.387 0.689 20 0 GCADHM CN1CCOC[C@@]1(CO)CNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001571217241 953106338 /nfs/dbraw/zinc/10/63/38/953106338.db2.gz CYCXWMUUXIOXJN-AWEZNQCLSA-N -1 3 383.250 0.734 20 0 GCADHM CN1CCOC[C@@]1(CO)CNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001571217241 953106340 /nfs/dbraw/zinc/10/63/40/953106340.db2.gz CYCXWMUUXIOXJN-AWEZNQCLSA-N -1 3 383.250 0.734 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)nn1 ZINC001571218620 953116694 /nfs/dbraw/zinc/11/66/94/953116694.db2.gz CKTJSHKQGPWELV-LLVKDONJSA-N -1 3 383.391 0.756 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)nn1 ZINC001571218620 953116695 /nfs/dbraw/zinc/11/66/95/953116695.db2.gz CKTJSHKQGPWELV-LLVKDONJSA-N -1 3 383.391 0.756 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571218626 953117425 /nfs/dbraw/zinc/11/74/25/953117425.db2.gz CPCKJNFOXPLLOI-LLVKDONJSA-N -1 3 383.391 0.382 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571218626 953117428 /nfs/dbraw/zinc/11/74/28/953117428.db2.gz CPCKJNFOXPLLOI-LLVKDONJSA-N -1 3 383.391 0.382 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)[C@@H](F)c1ccccc1 ZINC001571218729 953119173 /nfs/dbraw/zinc/11/91/73/953119173.db2.gz ZVTIDIIKNTYXON-KFWWJZLASA-N -1 3 383.387 0.638 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)[C@@H](F)c1ccccc1 ZINC001571218729 953119175 /nfs/dbraw/zinc/11/91/75/953119175.db2.gz ZVTIDIIKNTYXON-KFWWJZLASA-N -1 3 383.387 0.638 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1F)C2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571218951 953120837 /nfs/dbraw/zinc/12/08/37/953120837.db2.gz HUNWZRXAWPYYIC-BTDLBPIBSA-N -1 3 383.391 0.913 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1nccnc1F)C2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571218951 953120838 /nfs/dbraw/zinc/12/08/38/953120838.db2.gz HUNWZRXAWPYYIC-BTDLBPIBSA-N -1 3 383.391 0.913 20 0 GCADHM COc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571218973 953121566 /nfs/dbraw/zinc/12/15/66/953121566.db2.gz IMIQDTOBTQPJPI-HZPDHXFCSA-N -1 3 383.412 0.179 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571218989 953121829 /nfs/dbraw/zinc/12/18/29/953121829.db2.gz IYJNKKAJJDKQNT-IAQYHMDHSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571218989 953121832 /nfs/dbraw/zinc/12/18/32/953121832.db2.gz IYJNKKAJJDKQNT-IAQYHMDHSA-N -1 3 383.412 0.997 20 0 GCADHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001571219269 953124237 /nfs/dbraw/zinc/12/42/37/953124237.db2.gz NDGRBZARKRFIMD-UHFFFAOYSA-N -1 3 383.409 0.516 20 0 GCADHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)NC1CC(NS(C)(=O)=O)C1 ZINC001571219269 953124240 /nfs/dbraw/zinc/12/42/40/953124240.db2.gz NDGRBZARKRFIMD-UHFFFAOYSA-N -1 3 383.409 0.516 20 0 GCADHM Nc1nccnc1C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571219509 953125945 /nfs/dbraw/zinc/12/59/45/953125945.db2.gz PIVKTDJKBKVHHG-LLVKDONJSA-N -1 3 383.391 0.382 20 0 GCADHM Nc1nccnc1C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571219509 953125948 /nfs/dbraw/zinc/12/59/48/953125948.db2.gz PIVKTDJKBKVHHG-LLVKDONJSA-N -1 3 383.391 0.382 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1NC(=O)c1ncoc1C ZINC001571219522 953125966 /nfs/dbraw/zinc/12/59/66/953125966.db2.gz POOPCSLZMPWNET-HUUCEWRRSA-N -1 3 383.412 0.792 20 0 GCADHM CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571220005 953128156 /nfs/dbraw/zinc/12/81/56/953128156.db2.gz WURPFJSNDRRBJE-VIFPVBQESA-N -1 3 383.409 0.088 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)c2cccnn2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571220271 953129731 /nfs/dbraw/zinc/12/97/31/953129731.db2.gz ZYDZJIWGYPOKTR-NSHDSACASA-N -1 3 383.391 0.789 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)c2cccnn2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571220271 953129739 /nfs/dbraw/zinc/12/97/39/953129739.db2.gz ZYDZJIWGYPOKTR-NSHDSACASA-N -1 3 383.391 0.789 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1NC(=O)Cc1ccco1 ZINC001571220208 953129809 /nfs/dbraw/zinc/12/98/09/953129809.db2.gz ZCVBOVZXBISFGF-HUUCEWRRSA-N -1 3 383.412 0.726 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)Cc1ccco1 ZINC001571220208 953129812 /nfs/dbraw/zinc/12/98/12/953129812.db2.gz ZCVBOVZXBISFGF-HUUCEWRRSA-N -1 3 383.412 0.726 20 0 GCADHM Cc1ncoc1C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001571222050 953130983 /nfs/dbraw/zinc/13/09/83/953130983.db2.gz ANCGRIWDTJMJRT-CQSZACIVSA-N -1 3 383.412 0.794 20 0 GCADHM Cc1ncoc1C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001571222050 953130987 /nfs/dbraw/zinc/13/09/87/953130987.db2.gz ANCGRIWDTJMJRT-CQSZACIVSA-N -1 3 383.412 0.794 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001571222177 953131786 /nfs/dbraw/zinc/13/17/86/953131786.db2.gz DPKKFUPICIFPPG-FZMZJTMJSA-N -1 3 383.416 0.337 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001571222177 953131790 /nfs/dbraw/zinc/13/17/90/953131790.db2.gz DPKKFUPICIFPPG-FZMZJTMJSA-N -1 3 383.416 0.337 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001571222233 953132434 /nfs/dbraw/zinc/13/24/34/953132434.db2.gz AYVYCOZBRJOVKI-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001571222233 953132436 /nfs/dbraw/zinc/13/24/36/953132436.db2.gz AYVYCOZBRJOVKI-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571222207 953132478 /nfs/dbraw/zinc/13/24/78/953132478.db2.gz FMQWAZCLXICZAA-HAQNSBGRSA-N -1 3 383.416 0.492 20 0 GCADHM CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571222207 953132481 /nfs/dbraw/zinc/13/24/81/953132481.db2.gz FMQWAZCLXICZAA-HAQNSBGRSA-N -1 3 383.416 0.492 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222255 953132678 /nfs/dbraw/zinc/13/26/78/953132678.db2.gz BKLVWWOKCBUJPI-ONGXEEELSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222255 953132680 /nfs/dbraw/zinc/13/26/80/953132680.db2.gz BKLVWWOKCBUJPI-ONGXEEELSA-N -1 3 383.416 0.513 20 0 GCADHM CCCn1nccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222314 953133567 /nfs/dbraw/zinc/13/35/67/953133567.db2.gz GGQXIOOATRBPSL-TXEJJXNPSA-N -1 3 383.416 0.492 20 0 GCADHM CCCn1nccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222314 953133572 /nfs/dbraw/zinc/13/35/72/953133572.db2.gz GGQXIOOATRBPSL-TXEJJXNPSA-N -1 3 383.416 0.492 20 0 GCADHM CCc1nc[nH]c1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571222418 953133900 /nfs/dbraw/zinc/13/39/00/953133900.db2.gz FCEDDCYZKBSWDP-NXEZZACHSA-N -1 3 383.416 0.513 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571222387 953133989 /nfs/dbraw/zinc/13/39/89/953133989.db2.gz HOJQNJYENBEHQY-MNOVXSKESA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571222387 953133992 /nfs/dbraw/zinc/13/39/92/953133992.db2.gz HOJQNJYENBEHQY-MNOVXSKESA-N -1 3 383.416 0.488 20 0 GCADHM CCc1nc[nH]c1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571222421 953134132 /nfs/dbraw/zinc/13/41/32/953134132.db2.gz FCEDDCYZKBSWDP-ZJUUUORDSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1nc[nH]c1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571222420 953134235 /nfs/dbraw/zinc/13/42/35/953134235.db2.gz FCEDDCYZKBSWDP-VHSXEESVSA-N -1 3 383.416 0.513 20 0 GCADHM COCCn1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC001571222450 953134882 /nfs/dbraw/zinc/13/48/82/953134882.db2.gz FYHCZCXGHYMIMH-UHFFFAOYSA-N -1 3 383.416 0.067 20 0 GCADHM COCCn1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC001571222450 953134883 /nfs/dbraw/zinc/13/48/83/953134883.db2.gz FYHCZCXGHYMIMH-UHFFFAOYSA-N -1 3 383.416 0.067 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@@](CO)(Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571222458 953134958 /nfs/dbraw/zinc/13/49/58/953134958.db2.gz GEJUDPJNYMRZRY-QGZVFWFLSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@@](CO)(Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571222458 953134961 /nfs/dbraw/zinc/13/49/61/953134961.db2.gz GEJUDPJNYMRZRY-QGZVFWFLSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001571222585 953135897 /nfs/dbraw/zinc/13/58/97/953135897.db2.gz JRLYJWFRZCBQCD-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001571222585 953135900 /nfs/dbraw/zinc/13/59/00/953135900.db2.gz JRLYJWFRZCBQCD-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM CCCn1nccc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222537 953136089 /nfs/dbraw/zinc/13/60/89/953136089.db2.gz IMTGLOXREFXJFL-GFCCVEGCSA-N -1 3 383.416 0.446 20 0 GCADHM CCCn1nccc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222537 953136094 /nfs/dbraw/zinc/13/60/94/953136094.db2.gz IMTGLOXREFXJFL-GFCCVEGCSA-N -1 3 383.416 0.446 20 0 GCADHM COc1nc(C)cc(N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571222610 953136942 /nfs/dbraw/zinc/13/69/42/953136942.db2.gz HXHOHQDBACJHCT-UMSPYCQHSA-N -1 3 383.416 0.922 20 0 GCADHM COc1nc(C)cc(N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571222610 953136944 /nfs/dbraw/zinc/13/69/44/953136944.db2.gz HXHOHQDBACJHCT-UMSPYCQHSA-N -1 3 383.416 0.922 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC001571222744 953137886 /nfs/dbraw/zinc/13/78/86/953137886.db2.gz KUWDXSALBJOHFG-LLVKDONJSA-N -1 3 383.416 0.802 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC001571222744 953137889 /nfs/dbraw/zinc/13/78/89/953137889.db2.gz KUWDXSALBJOHFG-LLVKDONJSA-N -1 3 383.416 0.802 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571222840 953139734 /nfs/dbraw/zinc/13/97/34/953139734.db2.gz LYINYMGEPRDXKY-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571222840 953139739 /nfs/dbraw/zinc/13/97/39/953139739.db2.gz LYINYMGEPRDXKY-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CCc1nc[nH]c1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571222940 953140813 /nfs/dbraw/zinc/14/08/13/953140813.db2.gz OBZDSYMTHFGMQA-LBPRGKRZSA-N -1 3 383.416 0.182 20 0 GCADHM CCc1nc[nH]c1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571222940 953140816 /nfs/dbraw/zinc/14/08/16/953140816.db2.gz OBZDSYMTHFGMQA-LBPRGKRZSA-N -1 3 383.416 0.182 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571223026 953140830 /nfs/dbraw/zinc/14/08/30/953140830.db2.gz PIRLEXCZVODMJH-PWSUYJOCSA-N -1 3 383.416 0.188 20 0 GCADHM COc1cncc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571222981 953140860 /nfs/dbraw/zinc/14/08/60/953140860.db2.gz OLLZKBWMPLUYHA-SNVBAGLBSA-N -1 3 383.416 0.244 20 0 GCADHM COc1cncc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571222981 953140863 /nfs/dbraw/zinc/14/08/63/953140863.db2.gz OLLZKBWMPLUYHA-SNVBAGLBSA-N -1 3 383.416 0.244 20 0 GCADHM C[C@H](NC(=O)c1ncc[nH]1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571223286 953143284 /nfs/dbraw/zinc/14/32/84/953143284.db2.gz SHTDKJXPJAIVGY-JTQLQIEISA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](NC(=O)c1ncc[nH]1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571223286 953143287 /nfs/dbraw/zinc/14/32/87/953143287.db2.gz SHTDKJXPJAIVGY-JTQLQIEISA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001571223462 953143956 /nfs/dbraw/zinc/14/39/56/953143956.db2.gz REZXNMURUOAJSH-WDEREUQCSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001571223462 953143957 /nfs/dbraw/zinc/14/39/57/953143957.db2.gz REZXNMURUOAJSH-WDEREUQCSA-N -1 3 383.416 0.446 20 0 GCADHM COc1cc(C)nc(NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571223576 953144877 /nfs/dbraw/zinc/14/48/77/953144877.db2.gz VXQZULDDVYLBHA-UHFFFAOYSA-N -1 3 383.416 0.922 20 0 GCADHM COc1cc(C)nc(NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571223576 953144879 /nfs/dbraw/zinc/14/48/79/953144879.db2.gz VXQZULDDVYLBHA-UHFFFAOYSA-N -1 3 383.416 0.922 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2cncn2C)CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571223514 953145346 /nfs/dbraw/zinc/14/53/46/953145346.db2.gz SJKLJHJHCGCLLZ-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2cncn2C)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571223514 953145347 /nfs/dbraw/zinc/14/53/47/953145347.db2.gz SJKLJHJHCGCLLZ-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2cncn2C)CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571223511 953145367 /nfs/dbraw/zinc/14/53/67/953145367.db2.gz SJKLJHJHCGCLLZ-GHMZBOCLSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2cncn2C)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571223511 953145369 /nfs/dbraw/zinc/14/53/69/953145369.db2.gz SJKLJHJHCGCLLZ-GHMZBOCLSA-N -1 3 383.416 0.351 20 0 GCADHM CCn1cnc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571223805 953146712 /nfs/dbraw/zinc/14/67/12/953146712.db2.gz XSGWSKNENTYJRO-ZYHUDNBSSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1cnc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571223805 953146716 /nfs/dbraw/zinc/14/67/16/953146716.db2.gz XSGWSKNENTYJRO-ZYHUDNBSSA-N -1 3 383.416 0.444 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001571223822 953146729 /nfs/dbraw/zinc/14/67/29/953146729.db2.gz VXCHWDVKIWHRMA-GMTAPVOTSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001571223822 953146732 /nfs/dbraw/zinc/14/67/32/953146732.db2.gz VXCHWDVKIWHRMA-GMTAPVOTSA-N -1 3 383.416 0.109 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2COC(=O)C2)n1 ZINC001571223791 953146826 /nfs/dbraw/zinc/14/68/26/953146826.db2.gz VNOABVQPUQAQGT-KBNOKHGBSA-N -1 3 383.412 0.074 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2COC(=O)C2)n1 ZINC001571223791 953146829 /nfs/dbraw/zinc/14/68/29/953146829.db2.gz VNOABVQPUQAQGT-KBNOKHGBSA-N -1 3 383.412 0.074 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2ccnn2C)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223829 953147172 /nfs/dbraw/zinc/14/71/72/953147172.db2.gz WAPWOPVMJVYUNM-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2ccnn2C)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223829 953147174 /nfs/dbraw/zinc/14/71/74/953147174.db2.gz WAPWOPVMJVYUNM-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM Cc1ccc(CC(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001571223767 953147295 /nfs/dbraw/zinc/14/72/95/953147295.db2.gz UQOMLIZJTRUIJK-NSHDSACASA-N -1 3 383.412 0.916 20 0 GCADHM Cc1ccc(CC(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001571223767 953147297 /nfs/dbraw/zinc/14/72/97/953147297.db2.gz UQOMLIZJTRUIJK-NSHDSACASA-N -1 3 383.412 0.916 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001571223854 953147956 /nfs/dbraw/zinc/14/79/56/953147956.db2.gz YMZUIOUESDNNOS-JQWIXIFHSA-N -1 3 383.416 0.786 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001571223854 953147957 /nfs/dbraw/zinc/14/79/57/953147957.db2.gz YMZUIOUESDNNOS-JQWIXIFHSA-N -1 3 383.416 0.786 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1C ZINC001571224171 953149160 /nfs/dbraw/zinc/14/91/60/953149160.db2.gz ZZAQPFDXVZSOFN-JTQLQIEISA-N -1 3 383.416 0.135 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1C ZINC001571224171 953149163 /nfs/dbraw/zinc/14/91/63/953149163.db2.gz ZZAQPFDXVZSOFN-JTQLQIEISA-N -1 3 383.416 0.135 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571224130 953149412 /nfs/dbraw/zinc/14/94/12/953149412.db2.gz YVKRUMCTRGTBDO-PWSUYJOCSA-N -1 3 383.416 0.664 20 0 GCADHM Cc1n[nH]c(C(=O)N[C@]2(C)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1[O-] ZINC001571224695 953150514 /nfs/dbraw/zinc/15/05/14/953150514.db2.gz DBGBEABDSNWCKF-QGZVFWFLSA-N -1 3 383.416 0.706 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CCC(O)(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001571224681 953150892 /nfs/dbraw/zinc/15/08/92/953150892.db2.gz CRHCVYSTXFXPJY-UHFFFAOYSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CCC(O)(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001571224681 953150896 /nfs/dbraw/zinc/15/08/96/953150896.db2.gz CRHCVYSTXFXPJY-UHFFFAOYSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1n[nH]c(C(=O)N[C@@]2(C)CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1[O-] ZINC001571224694 953150900 /nfs/dbraw/zinc/15/09/00/953150900.db2.gz DBGBEABDSNWCKF-KRWDZBQOSA-N -1 3 383.416 0.706 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571225164 953151831 /nfs/dbraw/zinc/15/18/31/953151831.db2.gz IBWFPPBRDKPQKZ-ZDUSSCGKSA-N -1 3 383.416 0.039 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571225164 953151833 /nfs/dbraw/zinc/15/18/33/953151833.db2.gz IBWFPPBRDKPQKZ-ZDUSSCGKSA-N -1 3 383.416 0.039 20 0 GCADHM Cc1nnc(CN2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)CC[C@@H]32)o1 ZINC001571225253 953152670 /nfs/dbraw/zinc/15/26/70/953152670.db2.gz IWMKIHBSDNFNJA-FZMZJTMJSA-N -1 3 383.416 0.623 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571225580 953152927 /nfs/dbraw/zinc/15/29/27/953152927.db2.gz KFKUVVZSMSULDY-SKDRFNHKSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571225580 953152928 /nfs/dbraw/zinc/15/29/28/953152928.db2.gz KFKUVVZSMSULDY-SKDRFNHKSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nccc(N[C@H](C)[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)n1 ZINC001571225626 953153431 /nfs/dbraw/zinc/15/34/31/953153431.db2.gz LTOJKPBQUUYZAW-YGRLFVJLSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nccc(N[C@H](C)[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)n1 ZINC001571225626 953153434 /nfs/dbraw/zinc/15/34/34/953153434.db2.gz LTOJKPBQUUYZAW-YGRLFVJLSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571225631 953153572 /nfs/dbraw/zinc/15/35/72/953153572.db2.gz LVSSXAGGWWXANA-YPMHNXCESA-N -1 3 383.416 0.119 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571225631 953153573 /nfs/dbraw/zinc/15/35/73/953153573.db2.gz LVSSXAGGWWXANA-YPMHNXCESA-N -1 3 383.416 0.119 20 0 GCADHM Cc1cc(NCC2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc(CO)n1 ZINC001571225909 953154559 /nfs/dbraw/zinc/15/45/59/953154559.db2.gz OELNYCPOZMTIOM-UHFFFAOYSA-N -1 3 383.416 0.406 20 0 GCADHM Cc1cc(NCC2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc(CO)n1 ZINC001571225909 953154561 /nfs/dbraw/zinc/15/45/61/953154561.db2.gz OELNYCPOZMTIOM-UHFFFAOYSA-N -1 3 383.416 0.406 20 0 GCADHM Cc1nn(C)cc1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571226463 953156127 /nfs/dbraw/zinc/15/61/27/953156127.db2.gz RHACLYAKATYMIR-NSHDSACASA-N -1 3 383.416 0.223 20 0 GCADHM Cc1nn(C)cc1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571226463 953156129 /nfs/dbraw/zinc/15/61/29/953156129.db2.gz RHACLYAKATYMIR-NSHDSACASA-N -1 3 383.416 0.223 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC001571226898 953156898 /nfs/dbraw/zinc/15/68/98/953156898.db2.gz WJQHBQPSCMLWRI-GFCCVEGCSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC001571226898 953156900 /nfs/dbraw/zinc/15/69/00/953156900.db2.gz WJQHBQPSCMLWRI-GFCCVEGCSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n(C)n1 ZINC001571226658 953157098 /nfs/dbraw/zinc/15/70/98/953157098.db2.gz UYYSIEVVKCMHFZ-LLVKDONJSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n(C)n1 ZINC001571226658 953157099 /nfs/dbraw/zinc/15/70/99/953157099.db2.gz UYYSIEVVKCMHFZ-LLVKDONJSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1ccnc(N[C@@]2(CO)CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571226964 953157731 /nfs/dbraw/zinc/15/77/31/953157731.db2.gz XYILUQAHBHEYKR-KRWDZBQOSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1ccnc(N[C@@]2(CO)CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571226964 953157732 /nfs/dbraw/zinc/15/77/32/953157732.db2.gz XYILUQAHBHEYKR-KRWDZBQOSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571227105 953158449 /nfs/dbraw/zinc/15/84/49/953158449.db2.gz YTFOKSISBPHFDM-AMIZOPFISA-N -1 3 383.416 0.425 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571227105 953158451 /nfs/dbraw/zinc/15/84/51/953158451.db2.gz YTFOKSISBPHFDM-AMIZOPFISA-N -1 3 383.416 0.425 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@@H]1CNCc1noc(C2CC2)n1 ZINC001571227699 953159151 /nfs/dbraw/zinc/15/91/51/953159151.db2.gz AFIGJQPPBBLCOI-LLVKDONJSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@@H]1CNCc1noc(C2CC2)n1 ZINC001571227699 953159152 /nfs/dbraw/zinc/15/91/52/953159152.db2.gz AFIGJQPPBBLCOI-LLVKDONJSA-N -1 3 383.416 0.850 20 0 GCADHM Cn1cncc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001571227772 953159811 /nfs/dbraw/zinc/15/98/11/953159811.db2.gz BRINOEJSKABYCU-CYBMUJFWSA-N -1 3 383.416 0.209 20 0 GCADHM Cn1cncc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001571227772 953159815 /nfs/dbraw/zinc/15/98/15/953159815.db2.gz BRINOEJSKABYCU-CYBMUJFWSA-N -1 3 383.416 0.209 20 0 GCADHM Cn1cc([C@@]2(CNC(=O)NCc3ccc(-c4nnn[n-]4)cn3)CCCO2)cn1 ZINC001571227842 953160161 /nfs/dbraw/zinc/16/01/61/953160161.db2.gz CZDBGMUPADFKKP-KRWDZBQOSA-N -1 3 383.416 0.500 20 0 GCADHM Cn1cc([C@@]2(CNC(=O)NCc3ccc(-c4nn[n-]n4)cn3)CCCO2)cn1 ZINC001571227842 953160165 /nfs/dbraw/zinc/16/01/65/953160165.db2.gz CZDBGMUPADFKKP-KRWDZBQOSA-N -1 3 383.416 0.500 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571228088 953161774 /nfs/dbraw/zinc/16/17/74/953161774.db2.gz HWEKUDYBSGLIFF-MNOVXSKESA-N -1 3 383.420 0.057 20 0 GCADHM O=C(N[C@H]1C[C@H](NCc2nc(C3CCC3)no2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571228175 953162575 /nfs/dbraw/zinc/16/25/75/953162575.db2.gz JZKSMPOZTCXPNB-HAQNSBGRSA-N -1 3 383.416 0.896 20 0 GCADHM O=C(Cn1cccn1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228213 953163130 /nfs/dbraw/zinc/16/31/30/953163130.db2.gz KXJVLKXUAJBWMN-CQSZACIVSA-N -1 3 383.416 0.188 20 0 GCADHM O=C(Cn1cccn1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228213 953163133 /nfs/dbraw/zinc/16/31/33/953163133.db2.gz KXJVLKXUAJBWMN-CQSZACIVSA-N -1 3 383.416 0.188 20 0 GCADHM Cc1nonc1CC(=O)N[C@H]1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571228260 953163251 /nfs/dbraw/zinc/16/32/51/953163251.db2.gz LYDNLSCMIJJXKN-NEPJUHHUSA-N -1 3 383.416 0.893 20 0 GCADHM Cc1nonc1CC(=O)N[C@H]1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571228260 953163252 /nfs/dbraw/zinc/16/32/52/953163252.db2.gz LYDNLSCMIJJXKN-NEPJUHHUSA-N -1 3 383.416 0.893 20 0 GCADHM Cn1cc(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)[nH]c1=O ZINC001571228381 953163980 /nfs/dbraw/zinc/16/39/80/953163980.db2.gz NXOWFKPNNLHTAR-LBPRGKRZSA-N -1 3 383.416 0.808 20 0 GCADHM CCc1nc(NC2CCN(C(=O)c3n[nH]nc3C)CC2)cc(-c2nnn[n-]2)n1 ZINC001571228429 953164253 /nfs/dbraw/zinc/16/42/53/953164253.db2.gz PAOVVJKCNHDKQR-UHFFFAOYSA-N -1 3 383.420 0.362 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)[nH]c1=O ZINC001571228467 953164454 /nfs/dbraw/zinc/16/44/54/953164454.db2.gz PHCMQFPRIIZHEK-LLVKDONJSA-N -1 3 383.416 0.665 20 0 GCADHM O=C(c1cn[nH]c1)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228421 953164486 /nfs/dbraw/zinc/16/44/86/953164486.db2.gz OZGUVLMULDVRBQ-AWEZNQCLSA-N -1 3 383.416 0.088 20 0 GCADHM O=C(c1cn[nH]c1)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228421 953164488 /nfs/dbraw/zinc/16/44/88/953164488.db2.gz OZGUVLMULDVRBQ-AWEZNQCLSA-N -1 3 383.416 0.088 20 0 GCADHM C[C@H](N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1nnnn1C1CC1 ZINC001571228514 953164535 /nfs/dbraw/zinc/16/45/35/953164535.db2.gz QFPBVYPIMNGTLK-ONGXEEELSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@H](N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1nnnn1C1CC1 ZINC001571228514 953164537 /nfs/dbraw/zinc/16/45/37/953164537.db2.gz QFPBVYPIMNGTLK-ONGXEEELSA-N -1 3 383.420 0.082 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)[nH]c1=O ZINC001571228471 953164604 /nfs/dbraw/zinc/16/46/04/953164604.db2.gz PHCMQFPRIIZHEK-NSHDSACASA-N -1 3 383.416 0.665 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2nnc(C3CC3)o2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571228549 953165393 /nfs/dbraw/zinc/16/53/93/953165393.db2.gz RFKAYKMXYVUVAV-LLVKDONJSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2nnc(C3CC3)o2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571228549 953165394 /nfs/dbraw/zinc/16/53/94/953165394.db2.gz RFKAYKMXYVUVAV-LLVKDONJSA-N -1 3 383.416 0.850 20 0 GCADHM Cn1cncc1C(=O)NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228636 953166003 /nfs/dbraw/zinc/16/60/03/953166003.db2.gz UKJBABVIWBSZRT-QWRGUYRKSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cncc1C(=O)NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228636 953166006 /nfs/dbraw/zinc/16/60/06/953166006.db2.gz UKJBABVIWBSZRT-QWRGUYRKSA-N -1 3 383.416 0.257 20 0 GCADHM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001571228617 953166173 /nfs/dbraw/zinc/16/61/73/953166173.db2.gz UFUZUKDSLBODOZ-GHMZBOCLSA-N -1 3 383.420 0.057 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571228870 953166526 /nfs/dbraw/zinc/16/65/26/953166526.db2.gz XAEYKZUPHOMLRV-GXFFZTMASA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571228870 953166528 /nfs/dbraw/zinc/16/65/28/953166528.db2.gz XAEYKZUPHOMLRV-GXFFZTMASA-N -1 3 383.416 0.257 20 0 GCADHM Cn1nccc1C(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571228852 953166617 /nfs/dbraw/zinc/16/66/17/953166617.db2.gz WSGUIQBPNPJRQY-NSHDSACASA-N -1 3 383.416 0.353 20 0 GCADHM Cn1nccc1C(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571228852 953166618 /nfs/dbraw/zinc/16/66/18/953166618.db2.gz WSGUIQBPNPJRQY-NSHDSACASA-N -1 3 383.416 0.353 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2(C)C)c1 ZINC001571229080 953167464 /nfs/dbraw/zinc/16/74/64/953167464.db2.gz ZUIVSQRZZYZVFG-CYBMUJFWSA-N -1 3 383.416 0.209 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2(C)C)c1 ZINC001571229080 953167468 /nfs/dbraw/zinc/16/74/68/953167468.db2.gz ZUIVSQRZZYZVFG-CYBMUJFWSA-N -1 3 383.416 0.209 20 0 GCADHM Cc1nonc1CN1CC[C@]2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCC[C@H]12 ZINC001571229064 953167980 /nfs/dbraw/zinc/16/79/80/953167980.db2.gz ZERAWLINUIBCDG-WMLDXEAASA-N -1 3 383.416 0.813 20 0 GCADHM Cc1nonc1CN1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC[C@H]12 ZINC001571229064 953167985 /nfs/dbraw/zinc/16/79/85/953167985.db2.gz ZERAWLINUIBCDG-WMLDXEAASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571229742 953171379 /nfs/dbraw/zinc/17/13/79/953171379.db2.gz LUOONWPXZXNPDK-PWSUYJOCSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571229742 953171381 /nfs/dbraw/zinc/17/13/81/953171381.db2.gz LUOONWPXZXNPDK-PWSUYJOCSA-N -1 3 383.420 0.138 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571230256 953175419 /nfs/dbraw/zinc/17/54/19/953175419.db2.gz BHNQECYAFZZXDQ-NYTXWWLZSA-N -1 3 383.456 0.971 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571230256 953175420 /nfs/dbraw/zinc/17/54/20/953175420.db2.gz BHNQECYAFZZXDQ-NYTXWWLZSA-N -1 3 383.456 0.971 20 0 GCADHM O=C(c1csnn1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571230404 953176650 /nfs/dbraw/zinc/17/66/50/953176650.db2.gz COQGAIPUTDBPOG-UONOGXRCSA-N -1 3 383.441 0.997 20 0 GCADHM O=C(c1csnn1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571230404 953176653 /nfs/dbraw/zinc/17/66/53/953176653.db2.gz COQGAIPUTDBPOG-UONOGXRCSA-N -1 3 383.441 0.997 20 0 GCADHM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cnccn2)c1-c1nnn[n-]1 ZINC001571230528 953177435 /nfs/dbraw/zinc/17/74/35/953177435.db2.gz FUWBTYLMQJRQQC-PHIMTYICSA-N -1 3 383.441 0.915 20 0 GCADHM C[C@H]1COCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571230972 953182038 /nfs/dbraw/zinc/18/20/38/953182038.db2.gz OPOFDXOHZXTCLM-AYDFFVQHSA-N -1 3 383.456 0.829 20 0 GCADHM C[C@H]1COCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571230972 953182044 /nfs/dbraw/zinc/18/20/44/953182044.db2.gz OPOFDXOHZXTCLM-AYDFFVQHSA-N -1 3 383.456 0.829 20 0 GCADHM Cc1nnsc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001571231119 953183254 /nfs/dbraw/zinc/18/32/54/953183254.db2.gz SVRPRKSFEZVKEN-TXEJJXNPSA-N -1 3 383.441 0.915 20 0 GCADHM Cc1nnsc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001571231119 953183257 /nfs/dbraw/zinc/18/32/57/953183257.db2.gz SVRPRKSFEZVKEN-TXEJJXNPSA-N -1 3 383.441 0.915 20 0 GCADHM O=C([C@@H]1CC12CC2)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571232112 953186187 /nfs/dbraw/zinc/18/61/87/953186187.db2.gz BLNOQVDWEGGIDE-GJZGRUSLSA-N -1 3 383.456 0.852 20 0 GCADHM O=C([C@@H]1CC12CC2)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571232112 953186189 /nfs/dbraw/zinc/18/61/89/953186189.db2.gz BLNOQVDWEGGIDE-GJZGRUSLSA-N -1 3 383.456 0.852 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N(C)[C@@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001571232300 953186934 /nfs/dbraw/zinc/18/69/34/953186934.db2.gz DEXAVHSQZKUFST-OJLVUWQFSA-N -1 3 383.456 0.890 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)[C@@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)n1 ZINC001571232300 953186940 /nfs/dbraw/zinc/18/69/40/953186940.db2.gz DEXAVHSQZKUFST-OJLVUWQFSA-N -1 3 383.456 0.890 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)[C@@]34C[C@@H]3CCCC4)[C@@H](O)C2)n1 ZINC001571232719 953188238 /nfs/dbraw/zinc/18/82/38/953188238.db2.gz JVUFMJHZODCQTA-WGDDSDEBSA-N -1 3 383.456 0.816 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)[C@@]34C[C@@H]3CCCC4)[C@@H](O)C2)n1 ZINC001571232719 953188239 /nfs/dbraw/zinc/18/82/39/953188239.db2.gz JVUFMJHZODCQTA-WGDDSDEBSA-N -1 3 383.456 0.816 20 0 GCADHM C[C@@]12CN(C(=O)[C@@H]3CCOC3)C[C@]1(C)CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571232675 953188380 /nfs/dbraw/zinc/18/83/80/953188380.db2.gz IZABLGLLMAQPKN-ZNOIYHFQSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@]12CN(C(=O)[C@@H]3CCOC3)C[C@]1(C)CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571232675 953188383 /nfs/dbraw/zinc/18/83/83/953188383.db2.gz IZABLGLLMAQPKN-ZNOIYHFQSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCN(Cc2nccn2C)C1 ZINC001571232732 953188992 /nfs/dbraw/zinc/18/89/92/953188992.db2.gz KBAWNLXVMHLQGZ-QWHCGFSZSA-N -1 3 383.460 0.959 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571233055 953190031 /nfs/dbraw/zinc/19/00/31/953190031.db2.gz NTBGPVARCNOXRK-NMNMXBMNSA-N -1 3 383.456 0.672 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571233055 953190033 /nfs/dbraw/zinc/19/00/33/953190033.db2.gz NTBGPVARCNOXRK-NMNMXBMNSA-N -1 3 383.456 0.672 20 0 GCADHM Cc1nc(N2C[C@@H]3CCN(C(=O)CC4(O)CCC4)[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001571233323 953191623 /nfs/dbraw/zinc/19/16/23/953191623.db2.gz RQUFEHXPUMEFCY-DZGCQCFKSA-N -1 3 383.456 0.912 20 0 GCADHM Cc1nc(N2C[C@@H]3CCN(C(=O)CC4(O)CCC4)[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001571233323 953191627 /nfs/dbraw/zinc/19/16/27/953191627.db2.gz RQUFEHXPUMEFCY-DZGCQCFKSA-N -1 3 383.456 0.912 20 0 GCADHM O=C(C1CCC1)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571233860 953196926 /nfs/dbraw/zinc/19/69/26/953196926.db2.gz GHUMHHOFHFHQFI-AWEZNQCLSA-N -1 3 383.460 0.180 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571233935 953197552 /nfs/dbraw/zinc/19/75/52/953197552.db2.gz IJHYUFJKBXBNMH-MGPQQGTHSA-N -1 3 383.460 0.036 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571233935 953197555 /nfs/dbraw/zinc/19/75/55/953197555.db2.gz IJHYUFJKBXBNMH-MGPQQGTHSA-N -1 3 383.460 0.036 20 0 GCADHM O=C(CN1CCCC1)N[C@H]1CC12CCN(c1ccnc(-c3nnn[n-]3)n1)CC2 ZINC001571234444 953202513 /nfs/dbraw/zinc/20/25/13/953202513.db2.gz XULOEKQCVKYKGO-ZDUSSCGKSA-N -1 3 383.460 0.228 20 0 GCADHM C[C@@]1(NC(=O)c2c[nH]c(=O)cn2)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571234560 953203305 /nfs/dbraw/zinc/20/33/05/953203305.db2.gz BPDMLKIRJKPENM-QGZVFWFLSA-N -1 3 384.375 0.488 20 0 GCADHM C[C@@]1(NC(=O)c2c[nH]c(=O)cn2)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571234560 953203307 /nfs/dbraw/zinc/20/33/07/953203307.db2.gz BPDMLKIRJKPENM-QGZVFWFLSA-N -1 3 384.375 0.488 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)c1c(F)cncc1F ZINC001571234691 953204346 /nfs/dbraw/zinc/20/43/46/953204346.db2.gz FYFRAYGKIKPJJX-RTUWITSCSA-N -1 3 384.350 0.800 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)c1c(F)cncc1F ZINC001571234691 953204348 /nfs/dbraw/zinc/20/43/48/953204348.db2.gz FYFRAYGKIKPJJX-RTUWITSCSA-N -1 3 384.350 0.800 20 0 GCADHM C[C@@]1(NC(=O)c2cnc[nH]c2=O)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571234964 953207770 /nfs/dbraw/zinc/20/77/70/953207770.db2.gz OERGWEJSPZDIOO-QGZVFWFLSA-N -1 3 384.375 0.900 20 0 GCADHM COCc1nocc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571235347 953211602 /nfs/dbraw/zinc/21/16/02/953211602.db2.gz ATGLNLKAYZUKKU-LLVKDONJSA-N -1 3 384.400 0.970 20 0 GCADHM COCc1nocc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571235347 953211605 /nfs/dbraw/zinc/21/16/05/953211605.db2.gz ATGLNLKAYZUKKU-LLVKDONJSA-N -1 3 384.400 0.970 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1oncc1C ZINC001571235334 953211690 /nfs/dbraw/zinc/21/16/90/953211690.db2.gz ADVVFHRBZWXGDV-CHWSQXEVSA-N -1 3 384.400 0.500 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1oncc1C ZINC001571235334 953211691 /nfs/dbraw/zinc/21/16/91/953211691.db2.gz ADVVFHRBZWXGDV-CHWSQXEVSA-N -1 3 384.400 0.500 20 0 GCADHM O=C(c1ccncn1)N1CCO[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571235496 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COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571236375 953217305 /nfs/dbraw/zinc/21/73/05/953217305.db2.gz XYWBRVKGCLIIMQ-YUTCNCBUSA-N -1 3 384.396 0.287 20 0 GCADHM COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571236375 953217307 /nfs/dbraw/zinc/21/73/07/953217307.db2.gz XYWBRVKGCLIIMQ-YUTCNCBUSA-N -1 3 384.396 0.287 20 0 GCADHM Cc1noc(C)c1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236674 953217841 /nfs/dbraw/zinc/21/78/41/953217841.db2.gz AWCLPGLSGHKUFU-GFCCVEGCSA-N -1 3 384.400 0.373 20 0 GCADHM Cc1noc(C)c1CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236674 953217844 /nfs/dbraw/zinc/21/78/44/953217844.db2.gz AWCLPGLSGHKUFU-GFCCVEGCSA-N -1 3 384.400 0.373 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571236634 953218157 /nfs/dbraw/zinc/21/81/57/953218157.db2.gz AGPWQMDAXXXNRP-ZWNOBZJWSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571236634 953218159 /nfs/dbraw/zinc/21/81/59/953218159.db2.gz AGPWQMDAXXXNRP-ZWNOBZJWSA-N -1 3 384.400 0.900 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](CNC(=O)c2cocn2)C1 ZINC001571236652 953218291 /nfs/dbraw/zinc/21/82/91/953218291.db2.gz ALTSRJJOHDJBTJ-MNOVXSKESA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](CNC(=O)c2cocn2)C1 ZINC001571236652 953218293 /nfs/dbraw/zinc/21/82/93/953218293.db2.gz ALTSRJJOHDJBTJ-MNOVXSKESA-N -1 3 384.400 0.854 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)on1 ZINC001571236619 953218382 /nfs/dbraw/zinc/21/83/82/953218382.db2.gz AABRQBSHZPBMPF-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)on1 ZINC001571236619 953218383 /nfs/dbraw/zinc/21/83/83/953218383.db2.gz AABRQBSHZPBMPF-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001571236673 953218391 /nfs/dbraw/zinc/21/83/91/953218391.db2.gz AUQCUCNVYYZYSI-LBPRGKRZSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001571236673 953218393 /nfs/dbraw/zinc/21/83/93/953218393.db2.gz AUQCUCNVYYZYSI-LBPRGKRZSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1nc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571236706 953218866 /nfs/dbraw/zinc/21/88/66/953218866.db2.gz BUKDCGOCDHYUBE-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571236706 953218868 /nfs/dbraw/zinc/21/88/68/953218868.db2.gz BUKDCGOCDHYUBE-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571236911 953219032 /nfs/dbraw/zinc/21/90/32/953219032.db2.gz CVVJBDJJZSGOOM-VXGBXAGGSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571236911 953219034 /nfs/dbraw/zinc/21/90/34/953219034.db2.gz CVVJBDJJZSGOOM-VXGBXAGGSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1nc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571236707 953219184 /nfs/dbraw/zinc/21/91/84/953219184.db2.gz BUKDCGOCDHYUBE-JQWIXIFHSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571236707 953219187 /nfs/dbraw/zinc/21/91/87/953219187.db2.gz BUKDCGOCDHYUBE-JQWIXIFHSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nnn[n-]4)nc3)C2)on1 ZINC001571236704 953219201 /nfs/dbraw/zinc/21/92/01/953219201.db2.gz BTNSBAMSBXCZSU-KRWDZBQOSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[n-]n4)nc3)C2)on1 ZINC001571236704 953219203 /nfs/dbraw/zinc/21/92/03/953219203.db2.gz BTNSBAMSBXCZSU-KRWDZBQOSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1ncoc1C(=O)NC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571237033 953219579 /nfs/dbraw/zinc/21/95/79/953219579.db2.gz FOGOTGLPQBKWLI-UHFFFAOYSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1ncoc1C(=O)NC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571237033 953219583 /nfs/dbraw/zinc/21/95/83/953219583.db2.gz FOGOTGLPQBKWLI-UHFFFAOYSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)o1 ZINC001571237172 953220608 /nfs/dbraw/zinc/22/06/08/953220608.db2.gz GCEFMGPVBVYQSR-JOYOIKCWSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)o1 ZINC001571237172 953220609 /nfs/dbraw/zinc/22/06/09/953220609.db2.gz GCEFMGPVBVYQSR-JOYOIKCWSA-N -1 3 384.400 0.833 20 0 GCADHM COc1nc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)co1 ZINC001571237312 953220620 /nfs/dbraw/zinc/22/06/20/953220620.db2.gz HCDCHELHCIDYTJ-LLVKDONJSA-N -1 3 384.400 0.823 20 0 GCADHM COc1nc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)co1 ZINC001571237312 953220621 /nfs/dbraw/zinc/22/06/21/953220621.db2.gz HCDCHELHCIDYTJ-LLVKDONJSA-N -1 3 384.400 0.823 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)on1 ZINC001571237460 953221087 /nfs/dbraw/zinc/22/10/87/953221087.db2.gz HZPXWHBEKHZGEU-LLVKDONJSA-N -1 3 384.400 0.905 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)on1 ZINC001571237460 953221089 /nfs/dbraw/zinc/22/10/89/953221089.db2.gz HZPXWHBEKHZGEU-LLVKDONJSA-N -1 3 384.400 0.905 20 0 GCADHM Cc1noc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1C ZINC001571237635 953222270 /nfs/dbraw/zinc/22/22/70/953222270.db2.gz KAMZUEWMFJYDAP-NSHDSACASA-N -1 3 384.400 0.692 20 0 GCADHM Cc1noc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1C ZINC001571237635 953222272 /nfs/dbraw/zinc/22/22/72/953222272.db2.gz KAMZUEWMFJYDAP-NSHDSACASA-N -1 3 384.400 0.692 20 0 GCADHM O=C(c1ccon1)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571237943 953223802 /nfs/dbraw/zinc/22/38/02/953223802.db2.gz OQRJQBKTFRZWIO-ZDUSSCGKSA-N -1 3 384.400 0.353 20 0 GCADHM O=C(c1ccon1)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571237943 953223805 /nfs/dbraw/zinc/22/38/05/953223805.db2.gz OQRJQBKTFRZWIO-ZDUSSCGKSA-N -1 3 384.400 0.353 20 0 GCADHM O=C(NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1)c1ccc[nH]1 ZINC001571238055 953224689 /nfs/dbraw/zinc/22/46/89/953224689.db2.gz SHQZDLMHVYEIRW-LLVKDONJSA-N -1 3 384.400 0.184 20 0 GCADHM O=C(NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1)c1ccc[nH]1 ZINC001571238055 953224692 /nfs/dbraw/zinc/22/46/92/953224692.db2.gz SHQZDLMHVYEIRW-LLVKDONJSA-N -1 3 384.400 0.184 20 0 GCADHM O=C(c1cocn1)N1CCC(N(CCO)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571238008 953224715 /nfs/dbraw/zinc/22/47/15/953224715.db2.gz QNFQFPCLPSLLND-UHFFFAOYSA-N -1 3 384.400 0.353 20 0 GCADHM O=C(c1cocn1)N1CCC(N(CCO)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571238008 953224718 /nfs/dbraw/zinc/22/47/18/953224718.db2.gz QNFQFPCLPSLLND-UHFFFAOYSA-N -1 3 384.400 0.353 20 0 GCADHM Cc1cc(OCC(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC001571237999 953224763 /nfs/dbraw/zinc/22/47/63/953224763.db2.gz QFJMHDWCCXQDMT-GFCCVEGCSA-N -1 3 384.400 0.898 20 0 GCADHM Cc1cc(OCC(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC001571237999 953224766 /nfs/dbraw/zinc/22/47/66/953224766.db2.gz QFJMHDWCCXQDMT-GFCCVEGCSA-N -1 3 384.400 0.898 20 0 GCADHM Cc1cc(C(=O)N2CCC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)no1 ZINC001571237992 953224876 /nfs/dbraw/zinc/22/48/76/953224876.db2.gz QDCZXFCANOSIIR-UHFFFAOYSA-N -1 3 384.400 0.773 20 0 GCADHM Cc1cc(C(=O)N2CCC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)no1 ZINC001571237992 953224881 /nfs/dbraw/zinc/22/48/81/953224881.db2.gz QDCZXFCANOSIIR-UHFFFAOYSA-N -1 3 384.400 0.773 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCCN1C(=O)c1nc[nH]n1 ZINC001571238112 953225257 /nfs/dbraw/zinc/22/52/57/953225257.db2.gz UKKVTSNVYDYYFJ-SKDRFNHKSA-N -1 3 384.404 0.126 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cocn1 ZINC001571238145 953225625 /nfs/dbraw/zinc/22/56/25/953225625.db2.gz VKLJZWIXZQLGKG-NSHDSACASA-N -1 3 384.400 0.998 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cocn1 ZINC001571238145 953225628 /nfs/dbraw/zinc/22/56/28/953225628.db2.gz VKLJZWIXZQLGKG-NSHDSACASA-N -1 3 384.400 0.998 20 0 GCADHM Cc1cc(CC(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571238172 953226693 /nfs/dbraw/zinc/22/66/93/953226693.db2.gz VVZBNVUOYCOSKA-GFCCVEGCSA-N -1 3 384.400 0.455 20 0 GCADHM Cc1cc(CC(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571238172 953226694 /nfs/dbraw/zinc/22/66/94/953226694.db2.gz VVZBNVUOYCOSKA-GFCCVEGCSA-N -1 3 384.400 0.455 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)no1 ZINC001571238325 953228415 /nfs/dbraw/zinc/22/84/15/953228415.db2.gz ZSCCEYUAPFNMEM-ZYHUDNBSSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)no1 ZINC001571238325 953228417 /nfs/dbraw/zinc/22/84/17/953228417.db2.gz ZSCCEYUAPFNMEM-ZYHUDNBSSA-N -1 3 384.400 0.914 20 0 GCADHM Cn1cc(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nnn[n-]3)C2)[nH]c1=O ZINC001571239069 953235751 /nfs/dbraw/zinc/23/57/51/953235751.db2.gz PWEWVIRXCVSGED-INIZCTEOSA-N -1 3 384.404 0.060 20 0 GCADHM CCc1cc(C(=O)NC2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)n(C)n1 ZINC001571239386 953238432 /nfs/dbraw/zinc/23/84/32/953238432.db2.gz JXXLIYYODJJIAV-UHFFFAOYSA-N -1 3 384.419 0.916 20 0 GCADHM CCc1cc(C(=O)NC2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)n(C)n1 ZINC001571239386 953238434 /nfs/dbraw/zinc/23/84/34/953238434.db2.gz JXXLIYYODJJIAV-UHFFFAOYSA-N -1 3 384.419 0.916 20 0 GCADHM O=C(NC[C@@H]1CCCCCN1C(=O)c1nc[nH]n1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571239790 953242722 /nfs/dbraw/zinc/24/27/22/953242722.db2.gz XWEGINHADRZUSR-JTQLQIEISA-N -1 3 384.404 0.128 20 0 GCADHM Cc1n[nH]nc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C ZINC001571239782 953243078 /nfs/dbraw/zinc/24/30/78/953243078.db2.gz XRWAITIAZKXXAY-SCZZXKLOSA-N -1 3 384.404 0.044 20 0 GCADHM Cc1n[nH]nc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C ZINC001571239783 953243156 /nfs/dbraw/zinc/24/31/56/953243156.db2.gz XRWAITIAZKXXAY-WCBMZHEXSA-N -1 3 384.404 0.044 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571241504 953247108 /nfs/dbraw/zinc/24/71/08/953247108.db2.gz BLXOQDIKDGPUNP-ZDUSSCGKSA-N -1 3 384.444 0.025 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571241504 953247110 /nfs/dbraw/zinc/24/71/10/953247110.db2.gz BLXOQDIKDGPUNP-ZDUSSCGKSA-N -1 3 384.444 0.025 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)[C@H]2C)C1 ZINC001571241643 953248317 /nfs/dbraw/zinc/24/83/17/953248317.db2.gz HBVXSOVKWZJYKC-NHYWBVRUSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)[C@H]2C)C1 ZINC001571241643 953248321 /nfs/dbraw/zinc/24/83/21/953248321.db2.gz HBVXSOVKWZJYKC-NHYWBVRUSA-N -1 3 384.444 0.214 20 0 GCADHM Cc1nscc1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571241724 953248699 /nfs/dbraw/zinc/24/86/99/953248699.db2.gz JOQFKWFGCDXRBS-IWIIMEHWSA-N -1 3 384.425 0.460 20 0 GCADHM Cc1nscc1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571241724 953248702 /nfs/dbraw/zinc/24/87/02/953248702.db2.gz JOQFKWFGCDXRBS-IWIIMEHWSA-N -1 3 384.425 0.460 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)C1 ZINC001571241671 953249022 /nfs/dbraw/zinc/24/90/22/953249022.db2.gz HSKXLRFFFGFZIR-OAHLLOKOSA-N -1 3 384.440 0.982 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)C1 ZINC001571241671 953249025 /nfs/dbraw/zinc/24/90/25/953249025.db2.gz HSKXLRFFFGFZIR-OAHLLOKOSA-N -1 3 384.440 0.982 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001571241684 953249028 /nfs/dbraw/zinc/24/90/28/953249028.db2.gz IGMTUBNCSKXQLK-MEBBXXQBSA-N -1 3 384.444 0.307 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001571241684 953249031 /nfs/dbraw/zinc/24/90/31/953249031.db2.gz IGMTUBNCSKXQLK-MEBBXXQBSA-N -1 3 384.444 0.307 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)C1 ZINC001571241670 953249113 /nfs/dbraw/zinc/24/91/13/953249113.db2.gz HSKXLRFFFGFZIR-HNNXBMFYSA-N -1 3 384.440 0.982 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)C1 ZINC001571241670 953249114 /nfs/dbraw/zinc/24/91/14/953249114.db2.gz HSKXLRFFFGFZIR-HNNXBMFYSA-N -1 3 384.440 0.982 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571241871 953250596 /nfs/dbraw/zinc/25/05/96/953250596.db2.gz OEELQOKAUGPHBU-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571241871 953250599 /nfs/dbraw/zinc/25/05/99/953250599.db2.gz OEELQOKAUGPHBU-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)[C@H](C)C2)C1 ZINC001571241828 953250700 /nfs/dbraw/zinc/25/07/00/953250700.db2.gz MJXPOJKLCYGGFD-BXUZGUMPSA-N -1 3 384.444 0.246 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)[C@H](C)C2)C1 ZINC001571241828 953250702 /nfs/dbraw/zinc/25/07/02/953250702.db2.gz MJXPOJKLCYGGFD-BXUZGUMPSA-N -1 3 384.444 0.246 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1)c1csc(=O)[nH]1 ZINC001571242004 953252140 /nfs/dbraw/zinc/25/21/40/953252140.db2.gz SOXUPVZDQNXXIP-WLTAIBSBSA-N -1 3 384.425 0.964 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1)c1csc(=O)[nH]1 ZINC001571242004 953252144 /nfs/dbraw/zinc/25/21/44/953252144.db2.gz SOXUPVZDQNXXIP-WLTAIBSBSA-N -1 3 384.425 0.964 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571242054 953252201 /nfs/dbraw/zinc/25/22/01/953252201.db2.gz AGOOLYZJGFSOPN-DZGCQCFKSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571242054 953252204 /nfs/dbraw/zinc/25/22/04/953252204.db2.gz AGOOLYZJGFSOPN-DZGCQCFKSA-N -1 3 384.444 0.276 20 0 GCADHM C[C@@]1(NC(=O)[C@H]2CCNC(=O)CC2)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242159 953253780 /nfs/dbraw/zinc/25/37/80/953253780.db2.gz BZOAUJFOXRRSLK-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(NC(=O)[C@H]2CCNC(=O)CC2)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242159 953253781 /nfs/dbraw/zinc/25/37/81/953253781.db2.gz BZOAUJFOXRRSLK-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1NC(=O)[C@H]1CCNC(=O)C1 ZINC001571242180 953254027 /nfs/dbraw/zinc/25/40/27/953254027.db2.gz CAMBXGMLBYMPOH-AAEUAGOBSA-N -1 3 384.444 0.119 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1NC(=O)[C@H]1CCNC(=O)C1 ZINC001571242180 953254031 /nfs/dbraw/zinc/25/40/31/953254031.db2.gz CAMBXGMLBYMPOH-AAEUAGOBSA-N -1 3 384.444 0.119 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571242141 953254101 /nfs/dbraw/zinc/25/41/01/953254101.db2.gz BVDGQPQBZVJYME-QWHCGFSZSA-N -1 3 384.444 0.025 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571242141 953254104 /nfs/dbraw/zinc/25/41/04/953254104.db2.gz BVDGQPQBZVJYME-QWHCGFSZSA-N -1 3 384.444 0.025 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 ZINC001571242327 953255549 /nfs/dbraw/zinc/25/55/49/953255549.db2.gz DHBWEGDXJSNBSL-SFHVURJKSA-N -1 3 384.444 0.358 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)C1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1 ZINC001571242327 953255555 /nfs/dbraw/zinc/25/55/55/953255555.db2.gz DHBWEGDXJSNBSL-SFHVURJKSA-N -1 3 384.444 0.358 20 0 GCADHM CN1C(=O)c2ccccc2[C@H]1CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571242358 953255725 /nfs/dbraw/zinc/25/57/25/953255725.db2.gz ZYHRUTOQULNCAY-OAHLLOKOSA-N -1 3 384.421 0.972 20 0 GCADHM CN1C(=O)c2ccccc2[C@H]1CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571242358 953255726 /nfs/dbraw/zinc/25/57/26/953255726.db2.gz ZYHRUTOQULNCAY-OAHLLOKOSA-N -1 3 384.421 0.972 20 0 GCADHM CCN1C[C@@H](C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)CC1=O ZINC001571242426 953256054 /nfs/dbraw/zinc/25/60/54/953256054.db2.gz FZOACVSFJWCIGN-STQMWFEESA-N -1 3 384.444 0.215 20 0 GCADHM CCN1C[C@@H](C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)CC1=O ZINC001571242426 953256057 /nfs/dbraw/zinc/25/60/57/953256057.db2.gz FZOACVSFJWCIGN-STQMWFEESA-N -1 3 384.444 0.215 20 0 GCADHM CN(C(=O)C[C@@H]1CCN(C)C1=O)[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571242482 953256731 /nfs/dbraw/zinc/25/67/31/953256731.db2.gz HOWAXDMSUFSQNR-QWHCGFSZSA-N -1 3 384.444 0.167 20 0 GCADHM CN(C(=O)C[C@@H]1CCN(C)C1=O)[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571242482 953256735 /nfs/dbraw/zinc/25/67/35/953256735.db2.gz HOWAXDMSUFSQNR-QWHCGFSZSA-N -1 3 384.444 0.167 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242466 953257096 /nfs/dbraw/zinc/25/70/96/953257096.db2.gz HCVAZXRNDGOIKB-WHOFXGATSA-N -1 3 384.444 0.579 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242466 953257098 /nfs/dbraw/zinc/25/70/98/953257098.db2.gz HCVAZXRNDGOIKB-WHOFXGATSA-N -1 3 384.444 0.579 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571242471 953257135 /nfs/dbraw/zinc/25/71/35/953257135.db2.gz HFSZCZKLINYCRL-JSGCOSHPSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571242471 953257137 /nfs/dbraw/zinc/25/71/37/953257137.db2.gz HFSZCZKLINYCRL-JSGCOSHPSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001571242514 953257242 /nfs/dbraw/zinc/25/72/42/953257242.db2.gz IEBGJFGBPOJQQA-JSGCOSHPSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001571242514 953257245 /nfs/dbraw/zinc/25/72/45/953257245.db2.gz IEBGJFGBPOJQQA-JSGCOSHPSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571242649 953258749 /nfs/dbraw/zinc/25/87/49/953258749.db2.gz KYRCOXAYXUDVAF-TZMCWYRMSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571242649 953258751 /nfs/dbraw/zinc/25/87/51/953258751.db2.gz KYRCOXAYXUDVAF-TZMCWYRMSA-N -1 3 384.444 0.676 20 0 GCADHM CCN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242822 953260276 /nfs/dbraw/zinc/26/02/76/953260276.db2.gz OVVCSXCRLCOVDY-GXTWGEPZSA-N -1 3 384.444 0.215 20 0 GCADHM CCN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242822 953260278 /nfs/dbraw/zinc/26/02/78/953260278.db2.gz OVVCSXCRLCOVDY-GXTWGEPZSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001571242924 953260926 /nfs/dbraw/zinc/26/09/26/953260926.db2.gz REQMOUSPAVXILN-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001571242924 953260928 /nfs/dbraw/zinc/26/09/28/953260928.db2.gz REQMOUSPAVXILN-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001571242926 953261059 /nfs/dbraw/zinc/26/10/59/953261059.db2.gz REWKAOJHXBYICI-KPZWWZAWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001571242926 953261062 /nfs/dbraw/zinc/26/10/62/953261062.db2.gz REWKAOJHXBYICI-KPZWWZAWSA-N -1 3 384.444 0.438 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571242856 953261096 /nfs/dbraw/zinc/26/10/96/953261096.db2.gz POQOJIOGEHBVFC-HNNXBMFYSA-N -1 3 384.444 0.215 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571242856 953261099 /nfs/dbraw/zinc/26/10/99/953261099.db2.gz POQOJIOGEHBVFC-HNNXBMFYSA-N -1 3 384.444 0.215 20 0 GCADHM CCN1C[C@H](C(=O)N2CC[C@@H](N(C)c3ncccc3-c3nnn[n-]3)C2)CC1=O ZINC001571242939 953261603 /nfs/dbraw/zinc/26/16/03/953261603.db2.gz RMJRTSSWGRNOJK-CHWSQXEVSA-N -1 3 384.444 0.167 20 0 GCADHM CCN1C[C@H](C(=O)N2CC[C@@H](N(C)c3ncccc3-c3nn[n-]n3)C2)CC1=O ZINC001571242939 953261606 /nfs/dbraw/zinc/26/16/06/953261606.db2.gz RMJRTSSWGRNOJK-CHWSQXEVSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001571243008 953261725 /nfs/dbraw/zinc/26/17/25/953261725.db2.gz SVOSMGOYFAIUGF-XIKOKIGWSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001571243008 953261727 /nfs/dbraw/zinc/26/17/27/953261727.db2.gz SVOSMGOYFAIUGF-XIKOKIGWSA-N -1 3 384.444 0.581 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571243068 953262758 /nfs/dbraw/zinc/26/27/58/953262758.db2.gz VAPAUSYCTJRGJO-TZMCWYRMSA-N -1 3 384.444 0.533 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571243068 953262760 /nfs/dbraw/zinc/26/27/60/953262760.db2.gz VAPAUSYCTJRGJO-TZMCWYRMSA-N -1 3 384.444 0.533 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571243151 953263544 /nfs/dbraw/zinc/26/35/44/953263544.db2.gz XIWFTCTZOXTLLJ-OLZOCXBDSA-N -1 3 384.444 0.214 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001571243151 953263546 /nfs/dbraw/zinc/26/35/46/953263546.db2.gz XIWFTCTZOXTLLJ-OLZOCXBDSA-N -1 3 384.444 0.214 20 0 GCADHM Cn1cnnc1CN1CCCCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571244941 953268703 /nfs/dbraw/zinc/26/87/03/953268703.db2.gz AOUDAIQHQDFYEU-ZDUSSCGKSA-N -1 3 384.448 0.498 20 0 GCADHM Cn1cnnc1CN1CCCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571244941 953268704 /nfs/dbraw/zinc/26/87/04/953268704.db2.gz AOUDAIQHQDFYEU-ZDUSSCGKSA-N -1 3 384.448 0.498 20 0 GCADHM CCn1ncnc1CN1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001571245027 953269990 /nfs/dbraw/zinc/26/99/90/953269990.db2.gz CQWHRKPXQPFXST-CYBMUJFWSA-N -1 3 384.448 0.447 20 0 GCADHM CCn1ncnc1CN1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001571245027 953269995 /nfs/dbraw/zinc/26/99/95/953269995.db2.gz CQWHRKPXQPFXST-CYBMUJFWSA-N -1 3 384.448 0.447 20 0 GCADHM CCn1nncc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1C ZINC001571245069 953270194 /nfs/dbraw/zinc/27/01/94/953270194.db2.gz DDCJPOVLCMRNBJ-YPMHNXCESA-N -1 3 384.448 0.589 20 0 GCADHM CCn1nncc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001571245069 953270195 /nfs/dbraw/zinc/27/01/95/953270195.db2.gz DDCJPOVLCMRNBJ-YPMHNXCESA-N -1 3 384.448 0.589 20 0 GCADHM CCn1ncnc1CN1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001571245133 953270374 /nfs/dbraw/zinc/27/03/74/953270374.db2.gz DNXHFOGLIZTOLS-RYUDHWBXSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1ncnc1CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571245133 953270377 /nfs/dbraw/zinc/27/03/77/953270377.db2.gz DNXHFOGLIZTOLS-RYUDHWBXSA-N -1 3 384.448 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNCc1ncnn1C ZINC001571245459 953273646 /nfs/dbraw/zinc/27/36/46/953273646.db2.gz ITBWUOBJDXCZIZ-BXUZGUMPSA-N -1 3 384.448 0.354 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNCc1ncnn1C ZINC001571245462 953273930 /nfs/dbraw/zinc/27/39/30/953273930.db2.gz ITBWUOBJDXCZIZ-SMDDNHRTSA-N -1 3 384.448 0.354 20 0 GCADHM CCCn1ncnc1CN1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571245596 953275045 /nfs/dbraw/zinc/27/50/45/953275045.db2.gz KAGMNSBONYEXOG-LBPRGKRZSA-N -1 3 384.448 0.448 20 0 GCADHM CCCn1ncnc1CN1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571245596 953275046 /nfs/dbraw/zinc/27/50/46/953275046.db2.gz KAGMNSBONYEXOG-LBPRGKRZSA-N -1 3 384.448 0.448 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571245881 953277790 /nfs/dbraw/zinc/27/77/90/953277790.db2.gz NRTMWEHSPRDPPN-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571245881 953277795 /nfs/dbraw/zinc/27/77/95/953277795.db2.gz NRTMWEHSPRDPPN-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CCCn1ncnc1CN1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571245901 953277872 /nfs/dbraw/zinc/27/78/72/953277872.db2.gz OIOLGRMEWVRCLL-CYBMUJFWSA-N -1 3 384.448 0.543 20 0 GCADHM CCCn1ncnc1CN1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571245901 953277874 /nfs/dbraw/zinc/27/78/74/953277874.db2.gz OIOLGRMEWVRCLL-CYBMUJFWSA-N -1 3 384.448 0.543 20 0 GCADHM CC(C)n1cc(CN2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001571246282 953281390 /nfs/dbraw/zinc/28/13/90/953281390.db2.gz XKRPLSLXNODRJG-IAQYHMDHSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)n1cc(CN2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001571246282 953281394 /nfs/dbraw/zinc/28/13/94/953281394.db2.gz XKRPLSLXNODRJG-IAQYHMDHSA-N -1 3 384.448 0.618 20 0 GCADHM CCCn1c(C)nnc1CN1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571246249 953282152 /nfs/dbraw/zinc/28/21/52/953282152.db2.gz WVXDRLJXGSDVLJ-ZDUSSCGKSA-N -1 3 384.448 0.509 20 0 GCADHM CCCn1c(C)nnc1CN1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571246249 953282156 /nfs/dbraw/zinc/28/21/56/953282156.db2.gz WVXDRLJXGSDVLJ-ZDUSSCGKSA-N -1 3 384.448 0.509 20 0 GCADHM CCn1ncc(CN2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](C)C2)n1 ZINC001571246235 953282167 /nfs/dbraw/zinc/28/21/67/953282167.db2.gz WTLNJGNBVQYKCB-DGCLKSJQSA-N -1 3 384.448 0.304 20 0 GCADHM CC(C)n1cc(CN2CC[C@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001571246312 953282388 /nfs/dbraw/zinc/28/23/88/953282388.db2.gz XWMVXRPAGGTYAW-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001571246312 953282392 /nfs/dbraw/zinc/28/23/92/953282392.db2.gz XWMVXRPAGGTYAW-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001571246311 953282974 /nfs/dbraw/zinc/28/29/74/953282974.db2.gz XWMVXRPAGGTYAW-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001571246311 953282978 /nfs/dbraw/zinc/28/29/78/953282978.db2.gz XWMVXRPAGGTYAW-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571247551 953283829 /nfs/dbraw/zinc/28/38/29/953283829.db2.gz ANPQWTWHWUCGOG-CHWSQXEVSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571247551 953283831 /nfs/dbraw/zinc/28/38/31/953283831.db2.gz ANPQWTWHWUCGOG-CHWSQXEVSA-N -1 3 384.444 0.438 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001571248113 953290090 /nfs/dbraw/zinc/29/00/90/953290090.db2.gz DXRWTEMHPJZRLJ-QWHCGFSZSA-N -1 3 384.444 0.438 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001571248113 953290094 /nfs/dbraw/zinc/29/00/94/953290094.db2.gz DXRWTEMHPJZRLJ-QWHCGFSZSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571248543 953294261 /nfs/dbraw/zinc/29/42/61/953294261.db2.gz GEQCHCHZQPEYCQ-QWHCGFSZSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571248543 953294263 /nfs/dbraw/zinc/29/42/63/953294263.db2.gz GEQCHCHZQPEYCQ-QWHCGFSZSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCNC(=O)CC1 ZINC001571248628 953295563 /nfs/dbraw/zinc/29/55/63/953295563.db2.gz HTOQDYCLXPTIQR-MBHSVXNSSA-N -1 3 384.444 0.485 20 0 GCADHM O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCNC(=O)CC1 ZINC001571248628 953295568 /nfs/dbraw/zinc/29/55/68/953295568.db2.gz HTOQDYCLXPTIQR-MBHSVXNSSA-N -1 3 384.444 0.485 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CCNC(=O)C2)ccc1-c1nnn[n-]1 ZINC001571248792 953297267 /nfs/dbraw/zinc/29/72/67/953297267.db2.gz ILWXLHROPJGJCF-QWHCGFSZSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CCNC(=O)C2)ccc1-c1nn[n-]n1 ZINC001571248792 953297272 /nfs/dbraw/zinc/29/72/72/953297272.db2.gz ILWXLHROPJGJCF-QWHCGFSZSA-N -1 3 384.444 0.499 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571249328 953303431 /nfs/dbraw/zinc/30/34/31/953303431.db2.gz OLARMCJWJNEMPI-AWEZNQCLSA-N -1 3 384.444 0.406 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571249328 953303436 /nfs/dbraw/zinc/30/34/36/953303436.db2.gz OLARMCJWJNEMPI-AWEZNQCLSA-N -1 3 384.444 0.406 20 0 GCADHM Cc1nc(NC2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571250441 953311290 /nfs/dbraw/zinc/31/12/90/953311290.db2.gz RQDRXLZLBPRTKN-ORHYLEIMSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1nc(NC2CC(CNC(=O)[C@H]3CCCC(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571250441 953311293 /nfs/dbraw/zinc/31/12/93/953311293.db2.gz RQDRXLZLBPRTKN-ORHYLEIMSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001571251265 953316696 /nfs/dbraw/zinc/31/66/96/953316696.db2.gz TUFULJLWYPXTRG-GXTWGEPZSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001571251265 953316700 /nfs/dbraw/zinc/31/67/00/953316700.db2.gz TUFULJLWYPXTRG-GXTWGEPZSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571252199 953325218 /nfs/dbraw/zinc/32/52/18/953325218.db2.gz YRCAXWFICSECQL-OLZOCXBDSA-N -1 3 384.444 0.324 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571252199 953325222 /nfs/dbraw/zinc/32/52/22/953325222.db2.gz YRCAXWFICSECQL-OLZOCXBDSA-N -1 3 384.444 0.324 20 0 GCADHM CC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571254178 953336231 /nfs/dbraw/zinc/33/62/31/953336231.db2.gz AIZHJVWVEVUUQY-MNOVXSKESA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)N1CC[C@H](C(F)(F)F)[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571254178 953336233 /nfs/dbraw/zinc/33/62/33/953336233.db2.gz AIZHJVWVEVUUQY-MNOVXSKESA-N -1 3 385.350 0.972 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O)c1cc[nH]c1 ZINC001571254271 953337042 /nfs/dbraw/zinc/33/70/42/953337042.db2.gz FGWIYBVJTRXATE-HOTGVXAUSA-N -1 3 385.403 0.699 20 0 GCADHM CC(C)N1C[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)CC1=O ZINC001571254413 953339374 /nfs/dbraw/zinc/33/93/74/953339374.db2.gz CUQXDUOCDYJGFZ-VIFPVBQESA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1C[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)CC1=O ZINC001571254413 953339379 /nfs/dbraw/zinc/33/93/79/953339379.db2.gz CUQXDUOCDYJGFZ-VIFPVBQESA-N -1 3 384.849 0.808 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnon2)CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571254934 953343806 /nfs/dbraw/zinc/34/38/06/953343806.db2.gz CWDPLJNAPPMCSA-ZJUUUORDSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnon2)CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571254934 953343812 /nfs/dbraw/zinc/34/38/12/953343812.db2.gz CWDPLJNAPPMCSA-ZJUUUORDSA-N -1 3 385.388 0.106 20 0 GCADHM COc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001571255281 953347171 /nfs/dbraw/zinc/34/71/71/953347171.db2.gz HHBVQALZCOGYOJ-HOMQSWHASA-N -1 3 385.384 0.735 20 0 GCADHM COc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001571255281 953347175 /nfs/dbraw/zinc/34/71/75/953347175.db2.gz HHBVQALZCOGYOJ-HOMQSWHASA-N -1 3 385.384 0.735 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1C[C@@H](O)[C@H](CO)C1 ZINC001571255329 953347659 /nfs/dbraw/zinc/34/76/59/953347659.db2.gz IBRZHVCVNSPOSP-DZGCQCFKSA-N -1 3 385.380 0.464 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1C[C@@H](O)[C@H](CO)C1 ZINC001571255329 953347663 /nfs/dbraw/zinc/34/76/63/953347663.db2.gz IBRZHVCVNSPOSP-DZGCQCFKSA-N -1 3 385.380 0.464 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1cnn(C)c1 ZINC001571255361 953347816 /nfs/dbraw/zinc/34/78/16/953347816.db2.gz OAWFTBHOCMTXOH-YGRLFVJLSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1cnn(C)c1 ZINC001571255361 953347819 /nfs/dbraw/zinc/34/78/19/953347819.db2.gz OAWFTBHOCMTXOH-YGRLFVJLSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@@H](NC(=O)c1cnn(C)n1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571255416 953348625 /nfs/dbraw/zinc/34/86/25/953348625.db2.gz OXAKKGCHPVUOPR-SNVBAGLBSA-N -1 3 385.407 0.385 20 0 GCADHM C[C@@H](NC(=O)c1cnn(C)n1)C1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571255416 953348627 /nfs/dbraw/zinc/34/86/27/953348627.db2.gz OXAKKGCHPVUOPR-SNVBAGLBSA-N -1 3 385.407 0.385 20 0 GCADHM COc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001571255754 953354817 /nfs/dbraw/zinc/35/48/17/953354817.db2.gz MPKXIJRVGADKNI-MGCOHNPYSA-N -1 3 385.384 0.735 20 0 GCADHM COc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001571255754 953354824 /nfs/dbraw/zinc/35/48/24/953354824.db2.gz MPKXIJRVGADKNI-MGCOHNPYSA-N -1 3 385.384 0.735 20 0 GCADHM COc1nccc(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571255849 953358664 /nfs/dbraw/zinc/35/86/64/953358664.db2.gz QMBKGAQXAIGJRB-SNVBAGLBSA-N -1 3 385.363 0.526 20 0 GCADHM COc1nccc(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)n1 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ZINC000736041543 598832040 /nfs/dbraw/zinc/83/20/40/598832040.db2.gz XPTXIYAYBVOPJR-SECBINFHSA-N -1 3 384.487 0.764 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(CC(=O)Nc1sccc1-c1nn[n-]n1)C1CC1 ZINC000736041543 598832041 /nfs/dbraw/zinc/83/20/41/598832041.db2.gz XPTXIYAYBVOPJR-SECBINFHSA-N -1 3 384.487 0.764 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736040705 598832268 /nfs/dbraw/zinc/83/22/68/598832268.db2.gz QTWIUNQMMWSCPU-SWLSCSKDSA-N -1 3 395.485 0.504 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736041512 598832568 /nfs/dbraw/zinc/83/25/68/598832568.db2.gz XBSKVQIWOZCEOJ-LLVKDONJSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736041512 598832570 /nfs/dbraw/zinc/83/25/70/598832570.db2.gz XBSKVQIWOZCEOJ-LLVKDONJSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736040708 598832578 /nfs/dbraw/zinc/83/25/78/598832578.db2.gz QTWIUNQMMWSCPU-WFASDCNBSA-N -1 3 395.485 0.504 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736882127 598833285 /nfs/dbraw/zinc/83/32/85/598833285.db2.gz JIOTYGFQTAPVJC-SMDDNHRTSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736882127 598833286 /nfs/dbraw/zinc/83/32/86/598833286.db2.gz JIOTYGFQTAPVJC-SMDDNHRTSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736883242 598833300 /nfs/dbraw/zinc/83/33/00/598833300.db2.gz PVYFYCBVVGVDJD-NEPJUHHUSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736883242 598833301 /nfs/dbraw/zinc/83/33/01/598833301.db2.gz PVYFYCBVVGVDJD-NEPJUHHUSA-N -1 3 393.473 0.207 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735571948 598838580 /nfs/dbraw/zinc/83/85/80/598838580.db2.gz NFCSYSCOVSUELW-MNOVXSKESA-N -1 3 396.477 0.137 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735571948 598838581 /nfs/dbraw/zinc/83/85/81/598838581.db2.gz NFCSYSCOVSUELW-MNOVXSKESA-N -1 3 396.477 0.137 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736881166 598839136 /nfs/dbraw/zinc/83/91/36/598839136.db2.gz AEDSLIYVCKKENY-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736881166 598839137 /nfs/dbraw/zinc/83/91/37/598839137.db2.gz AEDSLIYVCKKENY-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCC(=O)Nc1ccccc1 ZINC000737888802 598841715 /nfs/dbraw/zinc/84/17/15/598841715.db2.gz FXBNNRNSQIMQAG-UHFFFAOYSA-N -1 3 393.407 0.742 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCC(=O)Nc1ccccc1 ZINC000737888802 598841716 /nfs/dbraw/zinc/84/17/16/598841716.db2.gz FXBNNRNSQIMQAG-UHFFFAOYSA-N -1 3 393.407 0.742 20 0 GCADHM Cc1nc(SCC(=O)OCc2nnnn2C)c(-c2nnn[n-]2)c(C)c1C ZINC000737482553 598842879 /nfs/dbraw/zinc/84/28/79/598842879.db2.gz IHGMROJQCJAUNT-UHFFFAOYSA-N -1 3 375.418 0.546 20 0 GCADHM Cc1nc(SCC(=O)OCc2nnnn2C)c(-c2nn[n-]n2)c(C)c1C ZINC000737482553 598842881 /nfs/dbraw/zinc/84/28/81/598842881.db2.gz IHGMROJQCJAUNT-UHFFFAOYSA-N -1 3 375.418 0.546 20 0 GCADHM O=C(COC(=O)c1cnn2ccccc12)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737916511 598847290 /nfs/dbraw/zinc/84/72/90/598847290.db2.gz VONRKKMWAYMVCO-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM O=C(COC(=O)c1cnn2ccccc12)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737916511 598847291 /nfs/dbraw/zinc/84/72/91/598847291.db2.gz VONRKKMWAYMVCO-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)o1 ZINC000737173660 598848303 /nfs/dbraw/zinc/84/83/03/598848303.db2.gz KYTJGUFOHKGSRH-UHFFFAOYSA-N -1 3 397.394 0.720 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)o1 ZINC000737173660 598848304 /nfs/dbraw/zinc/84/83/04/598848304.db2.gz KYTJGUFOHKGSRH-UHFFFAOYSA-N -1 3 397.394 0.720 20 0 GCADHM O=C(CN1CC(=O)NC1=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737879661 598847443 /nfs/dbraw/zinc/84/74/43/598847443.db2.gz WRCJLMDOKPJEQC-UHFFFAOYSA-N -1 3 397.420 0.763 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1CC[C@H](O)C1 ZINC000736988934 598849900 /nfs/dbraw/zinc/84/99/00/598849900.db2.gz XQKUUCGKVXDPNK-ZDUSSCGKSA-N -1 3 377.449 0.327 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN1CC[C@H](O)C1 ZINC000736988934 598849902 /nfs/dbraw/zinc/84/99/02/598849902.db2.gz XQKUUCGKVXDPNK-ZDUSSCGKSA-N -1 3 377.449 0.327 20 0 GCADHM CCc1cc(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000736677324 598849935 /nfs/dbraw/zinc/84/99/35/598849935.db2.gz XGESRBWKPJKMMV-UHFFFAOYSA-N -1 3 376.398 0.971 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000737925432 598850230 /nfs/dbraw/zinc/85/02/30/598850230.db2.gz SSUJEVAXDNGCOK-UHFFFAOYSA-N -1 3 394.317 0.898 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000737925432 598850232 /nfs/dbraw/zinc/85/02/32/598850232.db2.gz SSUJEVAXDNGCOK-UHFFFAOYSA-N -1 3 394.317 0.898 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCc1cc2c([nH]c1=O)CCC2 ZINC000738077983 598853680 /nfs/dbraw/zinc/85/36/80/598853680.db2.gz KRIXERQHDFTFAV-UHFFFAOYSA-N -1 3 395.427 0.762 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCc1cc2c([nH]c1=O)CCC2 ZINC000738077983 598853682 /nfs/dbraw/zinc/85/36/82/598853682.db2.gz KRIXERQHDFTFAV-UHFFFAOYSA-N -1 3 395.427 0.762 20 0 GCADHM CCN(C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000736503376 598853924 /nfs/dbraw/zinc/85/39/24/598853924.db2.gz VRXFRPDKVXYMJW-NSHDSACASA-N -1 3 394.457 0.477 20 0 GCADHM CCN(C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000736503376 598853926 /nfs/dbraw/zinc/85/39/26/598853926.db2.gz VRXFRPDKVXYMJW-NSHDSACASA-N -1 3 394.457 0.477 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736655306 598854259 /nfs/dbraw/zinc/85/42/59/598854259.db2.gz BANBVJHLVFHVGJ-SECBINFHSA-N -1 3 398.420 0.226 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736655306 598854261 /nfs/dbraw/zinc/85/42/61/598854261.db2.gz BANBVJHLVFHVGJ-SECBINFHSA-N -1 3 398.420 0.226 20 0 GCADHM CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736798941 598854569 /nfs/dbraw/zinc/85/45/69/598854569.db2.gz KUNOZHFOEUBHEE-UHFFFAOYSA-N -1 3 391.819 0.539 20 0 GCADHM CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736798941 598854571 /nfs/dbraw/zinc/85/45/71/598854571.db2.gz KUNOZHFOEUBHEE-UHFFFAOYSA-N -1 3 391.819 0.539 20 0 GCADHM CCS(=O)(=O)N1CCN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736658524 598860711 /nfs/dbraw/zinc/86/07/11/598860711.db2.gz DXSMUVXTBZUTEK-AWEZNQCLSA-N -1 3 394.457 0.048 20 0 GCADHM CCS(=O)(=O)N1CCN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736658524 598860713 /nfs/dbraw/zinc/86/07/13/598860713.db2.gz DXSMUVXTBZUTEK-AWEZNQCLSA-N -1 3 394.457 0.048 20 0 GCADHM C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000736280716 598862922 /nfs/dbraw/zinc/86/29/22/598862922.db2.gz NYIOUKOUJRCHBP-RISCZKNCSA-N -1 3 399.411 0.319 20 0 GCADHM C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000736280716 598862923 /nfs/dbraw/zinc/86/29/23/598862923.db2.gz NYIOUKOUJRCHBP-RISCZKNCSA-N -1 3 399.411 0.319 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2noc(C)n2)CC1 ZINC000736900156 598863436 /nfs/dbraw/zinc/86/34/36/598863436.db2.gz CWGROCUCEZLWNM-INIZCTEOSA-N -1 3 398.427 0.590 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2noc(C)n2)CC1 ZINC000736900156 598863437 /nfs/dbraw/zinc/86/34/37/598863437.db2.gz CWGROCUCEZLWNM-INIZCTEOSA-N -1 3 398.427 0.590 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736292224 598863543 /nfs/dbraw/zinc/86/35/43/598863543.db2.gz HOGMHVKVDAJFQA-VIFPVBQESA-N -1 3 384.849 0.578 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736292224 598863544 /nfs/dbraw/zinc/86/35/44/598863544.db2.gz HOGMHVKVDAJFQA-VIFPVBQESA-N -1 3 384.849 0.578 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736292220 598863561 /nfs/dbraw/zinc/86/35/61/598863561.db2.gz HOGMHVKVDAJFQA-SECBINFHSA-N -1 3 384.849 0.578 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736292220 598863562 /nfs/dbraw/zinc/86/35/62/598863562.db2.gz HOGMHVKVDAJFQA-SECBINFHSA-N -1 3 384.849 0.578 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2noc(C)n2)CC1 ZINC000736900160 598863657 /nfs/dbraw/zinc/86/36/57/598863657.db2.gz CWGROCUCEZLWNM-MRXNPFEDSA-N -1 3 398.427 0.590 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2noc(C)n2)CC1 ZINC000736900160 598863658 /nfs/dbraw/zinc/86/36/58/598863658.db2.gz CWGROCUCEZLWNM-MRXNPFEDSA-N -1 3 398.427 0.590 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCN1C(=O)CCC1=O ZINC000735736307 598867981 /nfs/dbraw/zinc/86/79/81/598867981.db2.gz RTYYMGHMMHWOPS-MRXNPFEDSA-N -1 3 386.412 0.535 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCN1C(=O)CCC1=O ZINC000735736307 598867983 /nfs/dbraw/zinc/86/79/83/598867983.db2.gz RTYYMGHMMHWOPS-MRXNPFEDSA-N -1 3 386.412 0.535 20 0 GCADHM CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736746707 598868139 /nfs/dbraw/zinc/86/81/39/598868139.db2.gz NPIYYDAZGHPCAB-UHFFFAOYSA-N -1 3 382.421 0.495 20 0 GCADHM CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736746707 598868141 /nfs/dbraw/zinc/86/81/41/598868141.db2.gz NPIYYDAZGHPCAB-UHFFFAOYSA-N -1 3 382.421 0.495 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000735476349 598871892 /nfs/dbraw/zinc/87/18/92/598871892.db2.gz YIDLJVSEGZDMHR-NSHDSACASA-N -1 3 382.421 0.543 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000735476349 598871893 /nfs/dbraw/zinc/87/18/93/598871893.db2.gz YIDLJVSEGZDMHR-NSHDSACASA-N -1 3 382.421 0.543 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@H](C2OCCO2)C1 ZINC000738347902 598873911 /nfs/dbraw/zinc/87/39/11/598873911.db2.gz PZPTZEWCPOTREU-NSHDSACASA-N -1 3 383.405 0.779 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@H](C2OCCO2)C1 ZINC000738347902 598873912 /nfs/dbraw/zinc/87/39/12/598873912.db2.gz PZPTZEWCPOTREU-NSHDSACASA-N -1 3 383.405 0.779 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736039719 598874290 /nfs/dbraw/zinc/87/42/90/598874290.db2.gz KILBDBGXCXWXHE-MRVPVSSYSA-N -1 3 377.423 0.059 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736039719 598874291 /nfs/dbraw/zinc/87/42/91/598874291.db2.gz KILBDBGXCXWXHE-MRVPVSSYSA-N -1 3 377.423 0.059 20 0 GCADHM C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC000735572510 598874586 /nfs/dbraw/zinc/87/45/86/598874586.db2.gz XARMWEYCHLXYHV-DTWKUNHWSA-N -1 3 391.450 0.448 20 0 GCADHM C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC000735572510 598874588 /nfs/dbraw/zinc/87/45/88/598874588.db2.gz XARMWEYCHLXYHV-DTWKUNHWSA-N -1 3 391.450 0.448 20 0 GCADHM COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736994925 598874916 /nfs/dbraw/zinc/87/49/16/598874916.db2.gz NURKFTRQUIMPKN-UHFFFAOYSA-N -1 3 387.393 0.206 20 0 GCADHM COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736994925 598874918 /nfs/dbraw/zinc/87/49/18/598874918.db2.gz NURKFTRQUIMPKN-UHFFFAOYSA-N -1 3 387.393 0.206 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1C ZINC000736780520 598875136 /nfs/dbraw/zinc/87/51/36/598875136.db2.gz WQHZIYFTIKVDBT-UHFFFAOYSA-N -1 3 380.409 0.284 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1C ZINC000736780520 598875137 /nfs/dbraw/zinc/87/51/37/598875137.db2.gz WQHZIYFTIKVDBT-UHFFFAOYSA-N -1 3 380.409 0.284 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC000736910639 598875857 /nfs/dbraw/zinc/87/58/57/598875857.db2.gz XQIYOXNVDPDFKS-GFCCVEGCSA-N -1 3 377.426 0.831 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC000736910639 598875858 /nfs/dbraw/zinc/87/58/58/598875858.db2.gz XQIYOXNVDPDFKS-GFCCVEGCSA-N -1 3 377.426 0.831 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCOC[C@@H]1C(F)(F)F ZINC000738348052 598876620 /nfs/dbraw/zinc/87/66/20/598876620.db2.gz QRNMJOFPUWUGNQ-SNVBAGLBSA-N -1 3 381.311 0.958 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCOC[C@@H]1C(F)(F)F ZINC000738348052 598876621 /nfs/dbraw/zinc/87/66/21/598876621.db2.gz QRNMJOFPUWUGNQ-SNVBAGLBSA-N -1 3 381.311 0.958 20 0 GCADHM CCOCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736623484 598878090 /nfs/dbraw/zinc/87/80/90/598878090.db2.gz HRIYCCXSGKWZGU-ZDUSSCGKSA-N -1 3 388.384 0.651 20 0 GCADHM CCOCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736623484 598878091 /nfs/dbraw/zinc/87/80/91/598878091.db2.gz HRIYCCXSGKWZGU-ZDUSSCGKSA-N -1 3 388.384 0.651 20 0 GCADHM CCC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736301792 598878295 /nfs/dbraw/zinc/87/82/95/598878295.db2.gz BOAGXCPPXZPDEB-CYBMUJFWSA-N -1 3 386.368 0.594 20 0 GCADHM CCC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736301792 598878297 /nfs/dbraw/zinc/87/82/97/598878297.db2.gz BOAGXCPPXZPDEB-CYBMUJFWSA-N -1 3 386.368 0.594 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)OCC(F)F ZINC000737824165 598878535 /nfs/dbraw/zinc/87/85/35/598878535.db2.gz DSQCZYQICWLSKW-JTQLQIEISA-N -1 3 380.311 0.880 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCC(F)F ZINC000737824165 598878536 /nfs/dbraw/zinc/87/85/36/598878536.db2.gz DSQCZYQICWLSKW-JTQLQIEISA-N -1 3 380.311 0.880 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000736821465 598880345 /nfs/dbraw/zinc/88/03/45/598880345.db2.gz VZYFSHKGJPRDHO-UHFFFAOYSA-N -1 3 391.391 0.958 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000736821465 598880347 /nfs/dbraw/zinc/88/03/47/598880347.db2.gz VZYFSHKGJPRDHO-UHFFFAOYSA-N -1 3 391.391 0.958 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)CC2 ZINC000736905773 598881357 /nfs/dbraw/zinc/88/13/57/598881357.db2.gz CNNDCHLGSZDPJS-ZDUSSCGKSA-N -1 3 398.423 0.915 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CC2 ZINC000736905773 598881358 /nfs/dbraw/zinc/88/13/58/598881358.db2.gz CNNDCHLGSZDPJS-ZDUSSCGKSA-N -1 3 398.423 0.915 20 0 GCADHM CCn1cc(CN(C)C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)cn1 ZINC000736721058 598881704 /nfs/dbraw/zinc/88/17/04/598881704.db2.gz AVDHXQNEEGVFCI-UHFFFAOYSA-N -1 3 384.400 0.689 20 0 GCADHM CCc1nnc2n1C[C@H](N[C@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736711313 598884120 /nfs/dbraw/zinc/88/41/20/598884120.db2.gz VMNSBXHDSUAGSY-CJNGLKHVSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nnc2n1C[C@H](N[C@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736711313 598884121 /nfs/dbraw/zinc/88/41/21/598884121.db2.gz VMNSBXHDSUAGSY-CJNGLKHVSA-N -1 3 382.428 0.839 20 0 GCADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000736038774 598889021 /nfs/dbraw/zinc/88/90/21/598889021.db2.gz XLKOGAWETMPRCH-RISCZKNCSA-N -1 3 395.441 0.601 20 0 GCADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000736038774 598889023 /nfs/dbraw/zinc/88/90/23/598889023.db2.gz XLKOGAWETMPRCH-RISCZKNCSA-N -1 3 395.441 0.601 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H]1CCN(C(N)=O)C1 ZINC000737032180 598895270 /nfs/dbraw/zinc/89/52/70/598895270.db2.gz FDHDPHWGDOPHFC-GFCCVEGCSA-N -1 3 389.416 0.304 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H]1CCN(C(N)=O)C1 ZINC000737032180 598895272 /nfs/dbraw/zinc/89/52/72/598895272.db2.gz FDHDPHWGDOPHFC-GFCCVEGCSA-N -1 3 389.416 0.304 20 0 GCADHM COC(=O)[C@@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901238 598896730 /nfs/dbraw/zinc/89/67/30/598896730.db2.gz XEFPACRCPBJNHP-HZMBPMFUSA-N -1 3 394.409 0.449 20 0 GCADHM COC(=O)[C@@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901238 598896732 /nfs/dbraw/zinc/89/67/32/598896732.db2.gz XEFPACRCPBJNHP-HZMBPMFUSA-N -1 3 394.409 0.449 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CCc2cccnc2)CC1 ZINC000738347864 598899492 /nfs/dbraw/zinc/89/94/92/598899492.db2.gz PAFFDGLBDGBZQN-UHFFFAOYSA-N -1 3 399.480 0.811 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CCc2cccnc2)CC1 ZINC000738347864 598899494 /nfs/dbraw/zinc/89/94/94/598899494.db2.gz PAFFDGLBDGBZQN-UHFFFAOYSA-N -1 3 399.480 0.811 20 0 GCADHM COC(=O)[C@@H](OC(=O)C1CCS(=O)(=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898074 598900408 /nfs/dbraw/zinc/90/04/08/598900408.db2.gz OUACTCQQRLEQRL-ZDUSSCGKSA-N -1 3 394.409 0.449 20 0 GCADHM COC(=O)[C@@H](OC(=O)C1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898074 598900411 /nfs/dbraw/zinc/90/04/11/598900411.db2.gz OUACTCQQRLEQRL-ZDUSSCGKSA-N -1 3 394.409 0.449 20 0 GCADHM COC(=O)NCCCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736937159 598901518 /nfs/dbraw/zinc/90/15/18/598901518.db2.gz JOMUANSTQDVJKJ-ZDUSSCGKSA-N -1 3 377.357 0.760 20 0 GCADHM COC(=O)NCCCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736937159 598901519 /nfs/dbraw/zinc/90/15/19/598901519.db2.gz JOMUANSTQDVJKJ-ZDUSSCGKSA-N -1 3 377.357 0.760 20 0 GCADHM Cc1oc(NC(=O)COC(=O)CNC(=O)c2ccccn2)c(-c2nnn[n-]2)c1C ZINC000737551138 598902579 /nfs/dbraw/zinc/90/25/79/598902579.db2.gz GARAYBKQPAWCOP-UHFFFAOYSA-N -1 3 399.367 0.383 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccnc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739898 598902740 /nfs/dbraw/zinc/90/27/40/598902740.db2.gz LDMJNGDPYLKPBE-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccnc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739898 598902742 /nfs/dbraw/zinc/90/27/42/598902742.db2.gz LDMJNGDPYLKPBE-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM C[C@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736148873 598903458 /nfs/dbraw/zinc/90/34/58/598903458.db2.gz DWQQHHJNLKGHNI-HLVVYCRESA-N -1 3 399.407 0.979 20 0 GCADHM C[C@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736148873 598903460 /nfs/dbraw/zinc/90/34/60/598903460.db2.gz DWQQHHJNLKGHNI-HLVVYCRESA-N -1 3 399.407 0.979 20 0 GCADHM Cc1nonc1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737547069 598906009 /nfs/dbraw/zinc/90/60/09/598906009.db2.gz IORPEVVGLPRDMI-NSHDSACASA-N -1 3 386.397 0.712 20 0 GCADHM Cc1nonc1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737547069 598906010 /nfs/dbraw/zinc/90/60/10/598906010.db2.gz IORPEVVGLPRDMI-NSHDSACASA-N -1 3 386.397 0.712 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)n1C ZINC000737523553 598907028 /nfs/dbraw/zinc/90/70/28/598907028.db2.gz UOVUPHLGCJOLLD-UHFFFAOYSA-N -1 3 396.459 0.331 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)n1C ZINC000737523553 598907030 /nfs/dbraw/zinc/90/70/30/598907030.db2.gz UOVUPHLGCJOLLD-UHFFFAOYSA-N -1 3 396.459 0.331 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000735735636 598909515 /nfs/dbraw/zinc/90/95/15/598909515.db2.gz OUYPGJSFICCWQS-SWLSCSKDSA-N -1 3 393.469 0.964 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000735735636 598909517 /nfs/dbraw/zinc/90/95/17/598909517.db2.gz OUYPGJSFICCWQS-SWLSCSKDSA-N -1 3 393.469 0.964 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000735735635 598909817 /nfs/dbraw/zinc/90/98/17/598909817.db2.gz OUYPGJSFICCWQS-IUODEOHRSA-N -1 3 393.469 0.964 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000735735635 598909819 /nfs/dbraw/zinc/90/98/19/598909819.db2.gz OUYPGJSFICCWQS-IUODEOHRSA-N -1 3 393.469 0.964 20 0 GCADHM COC[C@H](CCO)NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736978714 598906709 /nfs/dbraw/zinc/90/67/09/598906709.db2.gz RBQZNIXKHSXWPP-ZDUSSCGKSA-N -1 3 380.474 0.797 20 0 GCADHM COC[C@H](CCO)NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736978714 598906711 /nfs/dbraw/zinc/90/67/11/598906711.db2.gz RBQZNIXKHSXWPP-ZDUSSCGKSA-N -1 3 380.474 0.797 20 0 GCADHM NC(=O)N1CC[C@@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737759599 598912137 /nfs/dbraw/zinc/91/21/37/598912137.db2.gz WHPAJEBBOUUTQK-CYBMUJFWSA-N -1 3 397.395 0.922 20 0 GCADHM NC(=O)N1CC[C@@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737759599 598912139 /nfs/dbraw/zinc/91/21/39/598912139.db2.gz WHPAJEBBOUUTQK-CYBMUJFWSA-N -1 3 397.395 0.922 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737763345 598912227 /nfs/dbraw/zinc/91/22/27/598912227.db2.gz BVPDOEBERZYLLK-CYBMUJFWSA-N -1 3 396.498 0.379 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737763345 598912228 /nfs/dbraw/zinc/91/22/28/598912228.db2.gz BVPDOEBERZYLLK-CYBMUJFWSA-N -1 3 396.498 0.379 20 0 GCADHM O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccncc1-c1nnn[n-]1 ZINC000737966806 598913010 /nfs/dbraw/zinc/91/30/10/598913010.db2.gz GEJVFOGMVQCUKM-UHFFFAOYSA-N -1 3 394.363 0.861 20 0 GCADHM O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccncc1-c1nn[n-]n1 ZINC000737966806 598913012 /nfs/dbraw/zinc/91/30/12/598913012.db2.gz GEJVFOGMVQCUKM-UHFFFAOYSA-N -1 3 394.363 0.861 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1ccc2c(c1)CCO2 ZINC000737889315 598922308 /nfs/dbraw/zinc/92/23/08/598922308.db2.gz LOZBSCFTGWWOFI-UHFFFAOYSA-N -1 3 392.419 0.890 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1ccc2c(c1)CCO2 ZINC000737889315 598922310 /nfs/dbraw/zinc/92/23/10/598922310.db2.gz LOZBSCFTGWWOFI-UHFFFAOYSA-N -1 3 392.419 0.890 20 0 GCADHM CCOCCO[C@@H](C)C(=O)Nc1nc(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736624489 598923405 /nfs/dbraw/zinc/92/34/05/598923405.db2.gz ZPYFTCAHOSSYDB-NSHDSACASA-N -1 3 386.416 0.558 20 0 GCADHM COC(=O)CCN(C[C@H]1CCCO1)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736913387 598929065 /nfs/dbraw/zinc/92/90/65/598929065.db2.gz OWBXEACONOMUOO-OAHLLOKOSA-N -1 3 389.412 0.816 20 0 GCADHM O=C([C@H]1CSC(=O)N1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738316072 598931409 /nfs/dbraw/zinc/93/14/09/598931409.db2.gz PFTNNCVZVIJMRA-SNVBAGLBSA-N -1 3 377.405 0.479 20 0 GCADHM O=C([C@H]1CSC(=O)N1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738316072 598931411 /nfs/dbraw/zinc/93/14/11/598931411.db2.gz PFTNNCVZVIJMRA-SNVBAGLBSA-N -1 3 377.405 0.479 20 0 GCADHM COc1ccc(C(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737072668 598932414 /nfs/dbraw/zinc/93/24/14/598932414.db2.gz VGRXYDFREDHIQJ-UHFFFAOYSA-N -1 3 377.368 0.834 20 0 GCADHM Cc1nc(NC(=O)Cc2c(C)nn(C)c2C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480077 598932500 /nfs/dbraw/zinc/93/25/00/598932500.db2.gz HREKRAPWQGTESR-UHFFFAOYSA-N -1 3 392.427 0.709 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)C1 ZINC000738356527 598936953 /nfs/dbraw/zinc/93/69/53/598936953.db2.gz FDXSSHQAMNWLKG-NSHDSACASA-N -1 3 383.865 0.224 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)C1 ZINC000738356527 598936955 /nfs/dbraw/zinc/93/69/55/598936955.db2.gz FDXSSHQAMNWLKG-NSHDSACASA-N -1 3 383.865 0.224 20 0 GCADHM CC[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736408318 599293380 /nfs/dbraw/zinc/29/33/80/599293380.db2.gz SOLSYWLOFXNXJP-OLZOCXBDSA-N -1 3 377.474 0.899 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000737033187 598938606 /nfs/dbraw/zinc/93/86/06/598938606.db2.gz RPMVCHHKDWSETP-UHFFFAOYSA-N -1 3 388.384 0.701 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1C(=O)C(=O)N(CC(C)C)C1=O ZINC000737033187 598938608 /nfs/dbraw/zinc/93/86/08/598938608.db2.gz RPMVCHHKDWSETP-UHFFFAOYSA-N -1 3 388.384 0.701 20 0 GCADHM O=C(C1CC=CC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737781893 598940032 /nfs/dbraw/zinc/94/00/32/598940032.db2.gz CMJWPBSXPNPOJQ-UHFFFAOYSA-N -1 3 388.453 0.666 20 0 GCADHM O=C(C1CC=CC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737781893 598940033 /nfs/dbraw/zinc/94/00/33/598940033.db2.gz CMJWPBSXPNPOJQ-UHFFFAOYSA-N -1 3 388.453 0.666 20 0 GCADHM CC[C@@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736408318 599293381 /nfs/dbraw/zinc/29/33/81/599293381.db2.gz SOLSYWLOFXNXJP-OLZOCXBDSA-N -1 3 377.474 0.899 20 0 GCADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736289275 598942671 /nfs/dbraw/zinc/94/26/71/598942671.db2.gz VMFQMPAOVCICKV-GXTWGEPZSA-N -1 3 392.895 0.756 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737160606 598943830 /nfs/dbraw/zinc/94/38/30/598943830.db2.gz AKVZHSIKSAQJMT-GXTWGEPZSA-N -1 3 379.442 0.718 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737160606 598943831 /nfs/dbraw/zinc/94/38/31/598943831.db2.gz AKVZHSIKSAQJMT-GXTWGEPZSA-N -1 3 379.442 0.718 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737160608 598944112 /nfs/dbraw/zinc/94/41/12/598944112.db2.gz AKVZHSIKSAQJMT-JSGCOSHPSA-N -1 3 379.442 0.718 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737160608 598944114 /nfs/dbraw/zinc/94/41/14/598944114.db2.gz AKVZHSIKSAQJMT-JSGCOSHPSA-N -1 3 379.442 0.718 20 0 GCADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736513275 598948393 /nfs/dbraw/zinc/94/83/93/598948393.db2.gz XDDUIHHRFOIAGQ-GFCCVEGCSA-N -1 3 385.471 0.373 20 0 GCADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736513275 598948395 /nfs/dbraw/zinc/94/83/95/598948395.db2.gz XDDUIHHRFOIAGQ-GFCCVEGCSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000737299513 598949045 /nfs/dbraw/zinc/94/90/45/598949045.db2.gz RBLQIXPUYDXTKE-UHFFFAOYSA-N -1 3 376.442 0.418 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000737299513 598949046 /nfs/dbraw/zinc/94/90/46/598949046.db2.gz RBLQIXPUYDXTKE-UHFFFAOYSA-N -1 3 376.442 0.418 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cccc(-n2cnnn2)c1 ZINC000737301656 598949392 /nfs/dbraw/zinc/94/93/92/598949392.db2.gz PWBRVGKMMOSYCD-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cccc(-n2cnnn2)c1 ZINC000737301656 598949394 /nfs/dbraw/zinc/94/93/94/598949394.db2.gz PWBRVGKMMOSYCD-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM COCC(=O)NC1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000736965357 598951442 /nfs/dbraw/zinc/95/14/42/598951442.db2.gz CGHCDYPJJFCIQQ-UHFFFAOYSA-N -1 3 394.457 0.091 20 0 GCADHM COCC(=O)NC1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736965357 598951443 /nfs/dbraw/zinc/95/14/43/598951443.db2.gz CGHCDYPJJFCIQQ-UHFFFAOYSA-N -1 3 394.457 0.091 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCNC(=O)c1cccnc1 ZINC000737298511 598951975 /nfs/dbraw/zinc/95/19/75/598951975.db2.gz QEHWEIITEAODQX-UHFFFAOYSA-N -1 3 387.425 0.278 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCNC(=O)c1cccnc1 ZINC000737298511 598951976 /nfs/dbraw/zinc/95/19/76/598951976.db2.gz QEHWEIITEAODQX-UHFFFAOYSA-N -1 3 387.425 0.278 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736509226 598955430 /nfs/dbraw/zinc/95/54/30/598955430.db2.gz AUCZYHZXWDHHGG-GFCCVEGCSA-N -1 3 396.498 0.717 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736509226 598955432 /nfs/dbraw/zinc/95/54/32/598955432.db2.gz AUCZYHZXWDHHGG-GFCCVEGCSA-N -1 3 396.498 0.717 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736656863 598957745 /nfs/dbraw/zinc/95/77/45/598957745.db2.gz NATHEOSABXVRJV-LLVKDONJSA-N -1 3 387.487 0.619 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736656863 598957747 /nfs/dbraw/zinc/95/77/47/598957747.db2.gz NATHEOSABXVRJV-LLVKDONJSA-N -1 3 387.487 0.619 20 0 GCADHM CN(C)C(=O)COc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736747659 598962977 /nfs/dbraw/zinc/96/29/77/598962977.db2.gz UTEMGCBMGFIKII-GFCCVEGCSA-N -1 3 397.443 0.684 20 0 GCADHM CN(C)C(=O)COc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736747659 598962978 /nfs/dbraw/zinc/96/29/78/598962978.db2.gz UTEMGCBMGFIKII-GFCCVEGCSA-N -1 3 397.443 0.684 20 0 GCADHM C[C@@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCO1 ZINC000736155050 598963920 /nfs/dbraw/zinc/96/39/20/598963920.db2.gz GJWJTOJVNXCKIM-BXUZGUMPSA-N -1 3 375.385 0.472 20 0 GCADHM C[C@@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCO1 ZINC000736155050 598963921 /nfs/dbraw/zinc/96/39/21/598963921.db2.gz GJWJTOJVNXCKIM-BXUZGUMPSA-N -1 3 375.385 0.472 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC000735875044 598967614 /nfs/dbraw/zinc/96/76/14/598967614.db2.gz JNSZDJGRZDGXPM-GFCCVEGCSA-N -1 3 375.364 0.070 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC000735875044 598967618 /nfs/dbraw/zinc/96/76/18/598967618.db2.gz JNSZDJGRZDGXPM-GFCCVEGCSA-N -1 3 375.364 0.070 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1=O ZINC000735875471 598967899 /nfs/dbraw/zinc/96/78/99/598967899.db2.gz MLCGVRHNIIJXMH-LBPRGKRZSA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1=O ZINC000735875471 598967900 /nfs/dbraw/zinc/96/79/00/598967900.db2.gz MLCGVRHNIIJXMH-LBPRGKRZSA-N -1 3 391.819 0.584 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000737289050 598968700 /nfs/dbraw/zinc/96/87/00/598968700.db2.gz NYZVNTDWXDVVRO-KGLIPLIRSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000737289050 598968701 /nfs/dbraw/zinc/96/87/01/598968701.db2.gz NYZVNTDWXDVVRO-KGLIPLIRSA-N -1 3 399.455 0.877 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)CC2 ZINC000736705793 598970232 /nfs/dbraw/zinc/97/02/32/598970232.db2.gz NXRCYXRWVOGLSF-RYUDHWBXSA-N -1 3 382.428 0.919 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)CC2 ZINC000736705793 598970233 /nfs/dbraw/zinc/97/02/33/598970233.db2.gz NXRCYXRWVOGLSF-RYUDHWBXSA-N -1 3 382.428 0.919 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)COc1ccc(-c3nnn[n-]3)cc1OC)CC2 ZINC000736706094 598970637 /nfs/dbraw/zinc/97/06/37/598970637.db2.gz QKLVJVYWIGSECE-GFCCVEGCSA-N -1 3 398.427 0.539 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)COc1ccc(-c3nn[n-]n3)cc1OC)CC2 ZINC000736706094 598970639 /nfs/dbraw/zinc/97/06/39/598970639.db2.gz QKLVJVYWIGSECE-GFCCVEGCSA-N -1 3 398.427 0.539 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000736704645 598972606 /nfs/dbraw/zinc/97/26/06/598972606.db2.gz AFFFQLQGPQPCNL-GFCCVEGCSA-N -1 3 385.407 0.974 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000736704645 598972607 /nfs/dbraw/zinc/97/26/07/598972607.db2.gz AFFFQLQGPQPCNL-GFCCVEGCSA-N -1 3 385.407 0.974 20 0 GCADHM C[C@H](O)CNC(=O)c1cccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736146881 598979337 /nfs/dbraw/zinc/97/93/37/598979337.db2.gz KFRAPXYMEASGOB-LBPRGKRZSA-N -1 3 396.407 0.995 20 0 GCADHM C[C@H](O)CNC(=O)c1cccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736146881 598979339 /nfs/dbraw/zinc/97/93/39/598979339.db2.gz KFRAPXYMEASGOB-LBPRGKRZSA-N -1 3 396.407 0.995 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737752642 598980071 /nfs/dbraw/zinc/98/00/71/598980071.db2.gz JBSOAVLFQIPEBY-UHFFFAOYSA-N -1 3 395.379 0.099 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737752642 598980073 /nfs/dbraw/zinc/98/00/73/598980073.db2.gz JBSOAVLFQIPEBY-UHFFFAOYSA-N -1 3 395.379 0.099 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCN(C(=O)N(C)C)CC1 ZINC000737033267 598983199 /nfs/dbraw/zinc/98/31/99/598983199.db2.gz SOUBYEFYBRGRJF-UHFFFAOYSA-N -1 3 375.433 0.553 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(C(=O)N(C)C)CC1 ZINC000737033267 598983201 /nfs/dbraw/zinc/98/32/01/598983201.db2.gz SOUBYEFYBRGRJF-UHFFFAOYSA-N -1 3 375.433 0.553 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(c2cccnn2)CC1 ZINC000737032578 598984933 /nfs/dbraw/zinc/98/49/33/598984933.db2.gz LXXJXERLILUOKV-UHFFFAOYSA-N -1 3 382.428 0.866 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCO[C@H](Cn2cccn2)C1 ZINC000737031548 598985867 /nfs/dbraw/zinc/98/58/67/598985867.db2.gz ACGOVYPMVYLWAK-HNNXBMFYSA-N -1 3 385.428 0.852 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(Cc2cnn(C)c2)CC1 ZINC000737033629 598986798 /nfs/dbraw/zinc/98/67/98/598986798.db2.gz VNXALXBEYWEIML-UHFFFAOYSA-N -1 3 398.471 0.805 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000735562069 598992315 /nfs/dbraw/zinc/99/23/15/598992315.db2.gz NDTCOVBJMKYIFP-NEPJUHHUSA-N -1 3 378.458 0.560 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000735562069 598992316 /nfs/dbraw/zinc/99/23/16/598992316.db2.gz NDTCOVBJMKYIFP-NEPJUHHUSA-N -1 3 378.458 0.560 20 0 GCADHM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736471156 598995600 /nfs/dbraw/zinc/99/56/00/598995600.db2.gz ICYWOWUWSDJKHS-CYBMUJFWSA-N -1 3 399.498 0.763 20 0 GCADHM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736471156 598995601 /nfs/dbraw/zinc/99/56/01/598995601.db2.gz ICYWOWUWSDJKHS-CYBMUJFWSA-N -1 3 399.498 0.763 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)C[C@@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000737549672 598995673 /nfs/dbraw/zinc/99/56/73/598995673.db2.gz WOCHXJCFRHLVMA-JQWIXIFHSA-N -1 3 396.473 0.770 20 0 GCADHM CC(=O)NCC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000735475728 598999644 /nfs/dbraw/zinc/99/96/44/598999644.db2.gz RSLAPPCOCSQRMQ-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM CC(=O)NCC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000735475728 598999646 /nfs/dbraw/zinc/99/96/46/598999646.db2.gz RSLAPPCOCSQRMQ-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM COC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000736937529 599000431 /nfs/dbraw/zinc/00/04/31/599000431.db2.gz WQQDVJLHGGWAID-UHFFFAOYSA-N -1 3 380.430 0.684 20 0 GCADHM COC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000736937529 599000433 /nfs/dbraw/zinc/00/04/33/599000433.db2.gz WQQDVJLHGGWAID-UHFFFAOYSA-N -1 3 380.430 0.684 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000735476607 599001162 /nfs/dbraw/zinc/00/11/62/599001162.db2.gz YVPBTUONXZPPPK-ZDUSSCGKSA-N -1 3 378.458 0.712 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000735476607 599001163 /nfs/dbraw/zinc/00/11/63/599001163.db2.gz YVPBTUONXZPPPK-ZDUSSCGKSA-N -1 3 378.458 0.712 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C ZINC000737224601 599002868 /nfs/dbraw/zinc/00/28/68/599002868.db2.gz XYGKBJJMZHDMHA-LLVKDONJSA-N -1 3 382.471 0.327 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CSC[C@@H]1C(=O)N(C)C ZINC000737224601 599002870 /nfs/dbraw/zinc/00/28/70/599002870.db2.gz XYGKBJJMZHDMHA-LLVKDONJSA-N -1 3 382.471 0.327 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000737222023 599005049 /nfs/dbraw/zinc/00/50/49/599005049.db2.gz SSLSGYJWRPGKLS-AWEZNQCLSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000737222023 599005051 /nfs/dbraw/zinc/00/50/51/599005051.db2.gz SSLSGYJWRPGKLS-AWEZNQCLSA-N -1 3 390.469 0.951 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C[C@@H]1C ZINC000736623630 599005961 /nfs/dbraw/zinc/00/59/61/599005961.db2.gz JXKVLSKBJYFBLU-AWEZNQCLSA-N -1 3 394.501 0.906 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C[C@@H]1C ZINC000736623630 599005962 /nfs/dbraw/zinc/00/59/62/599005962.db2.gz JXKVLSKBJYFBLU-AWEZNQCLSA-N -1 3 394.501 0.906 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000738348733 599009173 /nfs/dbraw/zinc/00/91/73/599009173.db2.gz WJYVAGBXUZHIRH-UHFFFAOYSA-N -1 3 386.441 0.922 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000738348733 599009175 /nfs/dbraw/zinc/00/91/75/599009175.db2.gz WJYVAGBXUZHIRH-UHFFFAOYSA-N -1 3 386.441 0.922 20 0 GCADHM O=S(=O)(NCCCOC[C@@H]1CCOC1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738339673 599009278 /nfs/dbraw/zinc/00/92/78/599009278.db2.gz UOQAPJLCQSLHOE-NSHDSACASA-N -1 3 385.421 0.727 20 0 GCADHM O=S(=O)(NCCCOC[C@@H]1CCOC1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738339673 599009280 /nfs/dbraw/zinc/00/92/80/599009280.db2.gz UOQAPJLCQSLHOE-NSHDSACASA-N -1 3 385.421 0.727 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736792275 599009982 /nfs/dbraw/zinc/00/99/82/599009982.db2.gz QKLVHJVTVZQEHP-VIFPVBQESA-N -1 3 389.434 0.061 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736792275 599009984 /nfs/dbraw/zinc/00/99/84/599009984.db2.gz QKLVHJVTVZQEHP-VIFPVBQESA-N -1 3 389.434 0.061 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000737298964 599010073 /nfs/dbraw/zinc/01/00/73/599010073.db2.gz UPQRUBGMQQCKMJ-OLZOCXBDSA-N -1 3 399.498 0.809 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000737298964 599010075 /nfs/dbraw/zinc/01/00/75/599010075.db2.gz UPQRUBGMQQCKMJ-OLZOCXBDSA-N -1 3 399.498 0.809 20 0 GCADHM CCn1cc(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cn1 ZINC000736721912 599010089 /nfs/dbraw/zinc/01/00/89/599010089.db2.gz GVENMEMFUHJEQY-UHFFFAOYSA-N -1 3 378.400 0.781 20 0 GCADHM CCn1cc(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cn1 ZINC000736721912 599010090 /nfs/dbraw/zinc/01/00/90/599010090.db2.gz GVENMEMFUHJEQY-UHFFFAOYSA-N -1 3 378.400 0.781 20 0 GCADHM CCn1cc(CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736722783 599010136 /nfs/dbraw/zinc/01/01/36/599010136.db2.gz OMWQQEUUYXCVLB-UHFFFAOYSA-N -1 3 389.441 0.314 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737163391 599010174 /nfs/dbraw/zinc/01/01/74/599010174.db2.gz WNRKAXJJYLGPRL-VXGBXAGGSA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737163391 599010176 /nfs/dbraw/zinc/01/01/76/599010176.db2.gz WNRKAXJJYLGPRL-VXGBXAGGSA-N -1 3 385.471 0.501 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000737295980 599010285 /nfs/dbraw/zinc/01/02/85/599010285.db2.gz DBLCZICSPBGCAR-NSHDSACASA-N -1 3 385.471 0.230 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000737295980 599010286 /nfs/dbraw/zinc/01/02/86/599010286.db2.gz DBLCZICSPBGCAR-NSHDSACASA-N -1 3 385.471 0.230 20 0 GCADHM Cn1cc([C@@H]2[C@H](C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCC(=O)N2C)cn1 ZINC000265214188 599014999 /nfs/dbraw/zinc/01/49/99/599014999.db2.gz BNMCOMLAAQLHIB-NVXWUHKLSA-N -1 3 394.439 0.826 20 0 GCADHM Cn1cc([C@@H]2[C@H](C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCC(=O)N2C)cn1 ZINC000265214188 599015000 /nfs/dbraw/zinc/01/50/00/599015000.db2.gz BNMCOMLAAQLHIB-NVXWUHKLSA-N -1 3 394.439 0.826 20 0 GCADHM CCOC(=O)C1(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000736591011 599013563 /nfs/dbraw/zinc/01/35/63/599013563.db2.gz OUFUHFUPOWDQBI-UHFFFAOYSA-N -1 3 386.412 0.446 20 0 GCADHM CCOC(=O)C1(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000736591011 599013564 /nfs/dbraw/zinc/01/35/64/599013564.db2.gz OUFUHFUPOWDQBI-UHFFFAOYSA-N -1 3 386.412 0.446 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCOC[C@@H]1CCOC1 ZINC000737888904 599014317 /nfs/dbraw/zinc/01/43/17/599014317.db2.gz IACOUBFFNZZABT-ZDUSSCGKSA-N -1 3 388.428 0.156 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCOC[C@@H]1CCOC1 ZINC000737888904 599014319 /nfs/dbraw/zinc/01/43/19/599014319.db2.gz IACOUBFFNZZABT-ZDUSSCGKSA-N -1 3 388.428 0.156 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1CCC(O)CC1 ZINC000736988948 599016595 /nfs/dbraw/zinc/01/65/95/599016595.db2.gz YMUXLCQIFGCGKB-UHFFFAOYSA-N -1 3 391.476 0.717 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN1CCC(O)CC1 ZINC000736988948 599016598 /nfs/dbraw/zinc/01/65/98/599016598.db2.gz YMUXLCQIFGCGKB-UHFFFAOYSA-N -1 3 391.476 0.717 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H](O)C1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900530 599016621 /nfs/dbraw/zinc/01/66/21/599016621.db2.gz YOHGGLKEBGKEOM-KBPBESRZSA-N -1 3 376.369 0.412 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H](O)C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900530 599016623 /nfs/dbraw/zinc/01/66/23/599016623.db2.gz YOHGGLKEBGKEOM-KBPBESRZSA-N -1 3 376.369 0.412 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@H](O)CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737962 599016966 /nfs/dbraw/zinc/01/69/66/599016966.db2.gz SUHVGPDXQFGJPG-CVEARBPZSA-N -1 3 381.392 0.930 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@H](O)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737962 599016967 /nfs/dbraw/zinc/01/69/67/599016967.db2.gz SUHVGPDXQFGJPG-CVEARBPZSA-N -1 3 381.392 0.930 20 0 GCADHM Cc1oc(NC(=O)COC(=O)[C@@H](O)C2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000737551584 599017054 /nfs/dbraw/zinc/01/70/54/599017054.db2.gz JGIIBORXNKJTEV-ZDUSSCGKSA-N -1 3 379.373 0.346 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCS(=O)(=O)Cc1nccn1C ZINC000737033605 599020162 /nfs/dbraw/zinc/02/01/62/599020162.db2.gz ZAEOMVCEEGZYOQ-UHFFFAOYSA-N -1 3 378.414 0.603 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCS(=O)(=O)Cc1nccn1C ZINC000737033605 599020164 /nfs/dbraw/zinc/02/01/64/599020164.db2.gz ZAEOMVCEEGZYOQ-UHFFFAOYSA-N -1 3 378.414 0.603 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)C(C)C ZINC000735904346 599023039 /nfs/dbraw/zinc/02/30/39/599023039.db2.gz MGYRGLVMWLQHMZ-ZDUSSCGKSA-N -1 3 376.417 0.726 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)C(C)C ZINC000735904346 599023041 /nfs/dbraw/zinc/02/30/41/599023041.db2.gz MGYRGLVMWLQHMZ-ZDUSSCGKSA-N -1 3 376.417 0.726 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)C(C)C ZINC000735904345 599023100 /nfs/dbraw/zinc/02/31/00/599023100.db2.gz MGYRGLVMWLQHMZ-CYBMUJFWSA-N -1 3 376.417 0.726 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)C(C)C ZINC000735904345 599023101 /nfs/dbraw/zinc/02/31/01/599023101.db2.gz MGYRGLVMWLQHMZ-CYBMUJFWSA-N -1 3 376.417 0.726 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737162334 599025867 /nfs/dbraw/zinc/02/58/67/599025867.db2.gz PCUCLPMNFWPQOM-CHWSQXEVSA-N -1 3 392.441 0.277 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737162334 599025869 /nfs/dbraw/zinc/02/58/69/599025869.db2.gz PCUCLPMNFWPQOM-CHWSQXEVSA-N -1 3 392.441 0.277 20 0 GCADHM O=C(NC[C@@H](O)c1c(F)cccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738042142 599026266 /nfs/dbraw/zinc/02/62/66/599026266.db2.gz VOUZPTJDVJHGQH-CYBMUJFWSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@@H](O)c1c(F)cccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738042142 599026268 /nfs/dbraw/zinc/02/62/68/599026268.db2.gz VOUZPTJDVJHGQH-CYBMUJFWSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000738259215 599029983 /nfs/dbraw/zinc/02/99/83/599029983.db2.gz OCBHEEWUHMLNFA-QGZVFWFLSA-N -1 3 379.424 0.753 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)Cc2cc[nH]n2)nn1-c1ccccc1 ZINC000737770345 599030354 /nfs/dbraw/zinc/03/03/54/599030354.db2.gz UCDIFHMJOOGWGV-UHFFFAOYSA-N -1 3 392.427 0.649 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)Cc2cc[nH]n2)nn1-c1ccccc1 ZINC000737770345 599030356 /nfs/dbraw/zinc/03/03/56/599030356.db2.gz UCDIFHMJOOGWGV-UHFFFAOYSA-N -1 3 392.427 0.649 20 0 GCADHM O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1sccc1-c1nnn[n-]1 ZINC000738024245 599038050 /nfs/dbraw/zinc/03/80/50/599038050.db2.gz JWKURRXCSKUACN-LBPRGKRZSA-N -1 3 377.474 0.065 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000736592205 599040983 /nfs/dbraw/zinc/04/09/83/599040983.db2.gz ARYULAVXVZGOFT-SMDDNHRTSA-N -1 3 375.385 0.425 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000736592205 599040985 /nfs/dbraw/zinc/04/09/85/599040985.db2.gz ARYULAVXVZGOFT-SMDDNHRTSA-N -1 3 375.385 0.425 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000736592201 599041478 /nfs/dbraw/zinc/04/14/78/599041478.db2.gz ARYULAVXVZGOFT-FZMZJTMJSA-N -1 3 375.385 0.425 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000736592201 599041479 /nfs/dbraw/zinc/04/14/79/599041479.db2.gz ARYULAVXVZGOFT-FZMZJTMJSA-N -1 3 375.385 0.425 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(c1nnc(C)c(C)c1-c1nnn[n-]1)CC2 ZINC000821637540 599042088 /nfs/dbraw/zinc/04/20/88/599042088.db2.gz KJPFGDHKZOULTI-UHFFFAOYSA-N -1 3 386.441 0.876 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(c1nnc(C)c(C)c1-c1nn[n-]n1)CC2 ZINC000821637540 599042090 /nfs/dbraw/zinc/04/20/90/599042090.db2.gz KJPFGDHKZOULTI-UHFFFAOYSA-N -1 3 386.441 0.876 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000736182301 599054367 /nfs/dbraw/zinc/05/43/67/599054367.db2.gz CZZHJVDDYLCLAO-CEXHIMGSSA-N -1 3 392.485 0.157 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000736182301 599054371 /nfs/dbraw/zinc/05/43/71/599054371.db2.gz CZZHJVDDYLCLAO-CEXHIMGSSA-N -1 3 392.485 0.157 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)[C@H]2CCO[C@@H]21 ZINC000736204305 599054685 /nfs/dbraw/zinc/05/46/85/599054685.db2.gz DSBXERQBGWDNCT-BMFZPTHFSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)[C@H]2CCO[C@@H]21 ZINC000736204305 599054688 /nfs/dbraw/zinc/05/46/88/599054688.db2.gz DSBXERQBGWDNCT-BMFZPTHFSA-N -1 3 398.471 0.907 20 0 GCADHM Cc1cc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)on1 ZINC000737262531 599068400 /nfs/dbraw/zinc/06/84/00/599068400.db2.gz MJRCFGKOMPRDNJ-INIZCTEOSA-N -1 3 382.428 0.507 20 0 GCADHM Cc1cc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)on1 ZINC000737262531 599068403 /nfs/dbraw/zinc/06/84/03/599068403.db2.gz MJRCFGKOMPRDNJ-INIZCTEOSA-N -1 3 382.428 0.507 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000737742110 599068706 /nfs/dbraw/zinc/06/87/06/599068706.db2.gz ZBJQHFCNLDBKDQ-INIZCTEOSA-N -1 3 392.423 0.246 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000737742110 599068708 /nfs/dbraw/zinc/06/87/08/599068708.db2.gz ZBJQHFCNLDBKDQ-INIZCTEOSA-N -1 3 392.423 0.246 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000737740397 599068728 /nfs/dbraw/zinc/06/87/28/599068728.db2.gz TUADCYPTFMBYCU-MRXNPFEDSA-N -1 3 398.471 0.617 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000737740397 599068733 /nfs/dbraw/zinc/06/87/33/599068733.db2.gz TUADCYPTFMBYCU-MRXNPFEDSA-N -1 3 398.471 0.617 20 0 GCADHM Cc1nc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)oc1C ZINC000737478350 599072720 /nfs/dbraw/zinc/07/27/20/599072720.db2.gz QZZINPLGGZEDCV-QGZVFWFLSA-N -1 3 396.455 0.816 20 0 GCADHM Cc1nc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)oc1C ZINC000737478350 599072723 /nfs/dbraw/zinc/07/27/23/599072723.db2.gz QZZINPLGGZEDCV-QGZVFWFLSA-N -1 3 396.455 0.816 20 0 GCADHM Cc1cc(C)n(C[C@H]2CN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000737257351 599075494 /nfs/dbraw/zinc/07/54/94/599075494.db2.gz RJXQDCLTDXBKHX-SJORKVTESA-N -1 3 396.455 0.607 20 0 GCADHM Cc1cc(C)n(C[C@H]2CN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000737257351 599075497 /nfs/dbraw/zinc/07/54/97/599075497.db2.gz RJXQDCLTDXBKHX-SJORKVTESA-N -1 3 396.455 0.607 20 0 GCADHM Cc1nc(C)n([C@H]2CCCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737473125 599075916 /nfs/dbraw/zinc/07/59/16/599075916.db2.gz FBJONSKECKURHJ-JKSUJKDBSA-N -1 3 381.444 0.939 20 0 GCADHM CN(C[C@@H](O)COCc1ccccc1)[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736789048 599078007 /nfs/dbraw/zinc/07/80/07/599078007.db2.gz SPUPXMVWFQWYKC-QZTJIDSGSA-N -1 3 396.451 0.903 20 0 GCADHM CN(C[C@@H](O)COCc1ccccc1)[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736789048 599078010 /nfs/dbraw/zinc/07/80/10/599078010.db2.gz SPUPXMVWFQWYKC-QZTJIDSGSA-N -1 3 396.451 0.903 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)COc3ccccc3-c3nnn[n-]3)C2)cn1 ZINC000737612704 599092503 /nfs/dbraw/zinc/09/25/03/599092503.db2.gz ZJEFGQYTFBXXAW-CYBMUJFWSA-N -1 3 382.428 0.764 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)COc3ccccc3-c3nn[n-]n3)C2)cn1 ZINC000737612704 599092506 /nfs/dbraw/zinc/09/25/06/599092506.db2.gz ZJEFGQYTFBXXAW-CYBMUJFWSA-N -1 3 382.428 0.764 20 0 GCADHM COc1ccc(C(=O)NCCN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737067821 599094650 /nfs/dbraw/zinc/09/46/50/599094650.db2.gz NWYCNXPFOVSRSA-INIZCTEOSA-N -1 3 395.423 0.421 20 0 GCADHM CCn1nc2c(cc1=O)CN(CC(=O)NCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821568456 599102661 /nfs/dbraw/zinc/10/26/61/599102661.db2.gz VGAWCXXGQYMYID-UHFFFAOYSA-N -1 3 394.439 0.118 20 0 GCADHM CCn1nc2c(cc1=O)CN(CC(=O)NCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821568456 599102663 /nfs/dbraw/zinc/10/26/63/599102663.db2.gz VGAWCXXGQYMYID-UHFFFAOYSA-N -1 3 394.439 0.118 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCC[C@H](O)C1 ZINC000737928865 599103528 /nfs/dbraw/zinc/10/35/28/599103528.db2.gz IUYDCBCYKBIYCN-ZFWWWQNUSA-N -1 3 393.469 0.449 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000737609904 599107273 /nfs/dbraw/zinc/10/72/73/599107273.db2.gz LJTOIARHSXHSAT-HNNXBMFYSA-N -1 3 381.444 0.797 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000737769590 599109992 /nfs/dbraw/zinc/10/99/92/599109992.db2.gz NZVZLBNKKZZPFX-UHFFFAOYSA-N -1 3 382.402 0.645 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000737769590 599109994 /nfs/dbraw/zinc/10/99/94/599109994.db2.gz NZVZLBNKKZZPFX-UHFFFAOYSA-N -1 3 382.402 0.645 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccccc1NCCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740557 599111379 /nfs/dbraw/zinc/11/13/79/599111379.db2.gz NPZLMPJDZJOMBS-OAHLLOKOSA-N -1 3 382.380 0.654 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccccc1NCCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740557 599111380 /nfs/dbraw/zinc/11/13/80/599111380.db2.gz NPZLMPJDZJOMBS-OAHLLOKOSA-N -1 3 382.380 0.654 20 0 GCADHM C[S@](=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737172415 599113607 /nfs/dbraw/zinc/11/36/07/599113607.db2.gz UGISIINMMVAVJW-PWFNWSNSSA-N -1 3 385.405 0.988 20 0 GCADHM C[S@](=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737172415 599113608 /nfs/dbraw/zinc/11/36/08/599113608.db2.gz UGISIINMMVAVJW-PWFNWSNSSA-N -1 3 385.405 0.988 20 0 GCADHM COC(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000736949534 599115395 /nfs/dbraw/zinc/11/53/95/599115395.db2.gz CBPRDWYRSDFFRI-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736949534 599115399 /nfs/dbraw/zinc/11/53/99/599115399.db2.gz CBPRDWYRSDFFRI-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM NC(=O)COc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737753019 599117182 /nfs/dbraw/zinc/11/71/82/599117182.db2.gz JNVYGBCKGKMQNL-HNNXBMFYSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)COc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737753019 599117184 /nfs/dbraw/zinc/11/71/84/599117184.db2.gz JNVYGBCKGKMQNL-HNNXBMFYSA-N -1 3 396.363 0.114 20 0 GCADHM C[S@@](=O)CCN1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000737174644 599117852 /nfs/dbraw/zinc/11/78/52/599117852.db2.gz WUSDPUQBWZFMJP-AREMUKBSSA-N -1 3 389.407 0.781 20 0 GCADHM C[S@@](=O)CCN1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000737174644 599117854 /nfs/dbraw/zinc/11/78/54/599117854.db2.gz WUSDPUQBWZFMJP-AREMUKBSSA-N -1 3 389.407 0.781 20 0 GCADHM Cc1nn(C)c(Cl)c1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737512560 599118760 /nfs/dbraw/zinc/11/87/60/599118760.db2.gz XHXDUTNRGNGRTR-NSHDSACASA-N -1 3 375.776 0.945 20 0 GCADHM Cc1nn(C)c(Cl)c1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737512560 599118764 /nfs/dbraw/zinc/11/87/64/599118764.db2.gz XHXDUTNRGNGRTR-NSHDSACASA-N -1 3 375.776 0.945 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@H]1COc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737154 599118825 /nfs/dbraw/zinc/11/88/25/599118825.db2.gz ORSDIKYTYHAMDT-CABCVRRESA-N -1 3 381.348 0.776 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@H]1COc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737154 599118827 /nfs/dbraw/zinc/11/88/27/599118827.db2.gz ORSDIKYTYHAMDT-CABCVRRESA-N -1 3 381.348 0.776 20 0 GCADHM Cc1nn(C)c(Cl)c1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737512557 599118988 /nfs/dbraw/zinc/11/89/88/599118988.db2.gz XHXDUTNRGNGRTR-LLVKDONJSA-N -1 3 375.776 0.945 20 0 GCADHM Cc1nn(C)c(Cl)c1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737512557 599118991 /nfs/dbraw/zinc/11/89/91/599118991.db2.gz XHXDUTNRGNGRTR-LLVKDONJSA-N -1 3 375.776 0.945 20 0 GCADHM Cc1nn(C)c(C)c1CCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737512286 599119004 /nfs/dbraw/zinc/11/90/04/599119004.db2.gz YIFMLGQRPXUWCA-INIZCTEOSA-N -1 3 383.412 0.919 20 0 GCADHM Cc1nn(C)c(C)c1CCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737512286 599119006 /nfs/dbraw/zinc/11/90/06/599119006.db2.gz YIFMLGQRPXUWCA-INIZCTEOSA-N -1 3 383.412 0.919 20 0 GCADHM NC(=O)[C@H](OC(=O)CN1CCCCCCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737735475 599121120 /nfs/dbraw/zinc/12/11/20/599121120.db2.gz FJBXQDRDCYSODN-MRXNPFEDSA-N -1 3 386.412 0.729 20 0 GCADHM NC(=O)[C@H](OC(=O)CN1CCCCCCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735475 599121121 /nfs/dbraw/zinc/12/11/21/599121121.db2.gz FJBXQDRDCYSODN-MRXNPFEDSA-N -1 3 386.412 0.729 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCOC[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737355 599121252 /nfs/dbraw/zinc/12/12/52/599121252.db2.gz QIXONLKUOJJUQC-ZFWWWQNUSA-N -1 3 375.385 0.522 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCOC[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737355 599121254 /nfs/dbraw/zinc/12/12/54/599121254.db2.gz QIXONLKUOJJUQC-ZFWWWQNUSA-N -1 3 375.385 0.522 20 0 GCADHM CCC(=O)N1CCC[C@@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736306541 599122357 /nfs/dbraw/zinc/12/23/57/599122357.db2.gz ZEMRUGBNYXCGKE-HIFRSBDPSA-N -1 3 386.412 0.585 20 0 GCADHM CCC(=O)N1CCC[C@@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736306541 599122360 /nfs/dbraw/zinc/12/23/60/599122360.db2.gz ZEMRUGBNYXCGKE-HIFRSBDPSA-N -1 3 386.412 0.585 20 0 GCADHM NC(=O)[C@@H](OC(=O)Cc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738597 599124286 /nfs/dbraw/zinc/12/42/86/599124286.db2.gz GUPKCLAELVGKSH-INIZCTEOSA-N -1 3 381.348 0.908 20 0 GCADHM NC(=O)[C@@H](OC(=O)Cc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738597 599124288 /nfs/dbraw/zinc/12/42/88/599124288.db2.gz GUPKCLAELVGKSH-INIZCTEOSA-N -1 3 381.348 0.908 20 0 GCADHM C[C@H](OC[C@H]1CCCCO1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736163927 599124598 /nfs/dbraw/zinc/12/45/98/599124598.db2.gz LJOKXIGQSKWAOK-GLQYFDAESA-N -1 3 389.412 0.911 20 0 GCADHM C[C@H](OC[C@H]1CCCCO1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736163927 599124600 /nfs/dbraw/zinc/12/46/00/599124600.db2.gz LJOKXIGQSKWAOK-GLQYFDAESA-N -1 3 389.412 0.911 20 0 GCADHM C[C@H](OC[C@@H]1CCCCO1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736163930 599124756 /nfs/dbraw/zinc/12/47/56/599124756.db2.gz LJOKXIGQSKWAOK-TUKIKUTGSA-N -1 3 389.412 0.911 20 0 GCADHM C[C@H](OC[C@@H]1CCCCO1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736163930 599124758 /nfs/dbraw/zinc/12/47/58/599124758.db2.gz LJOKXIGQSKWAOK-TUKIKUTGSA-N -1 3 389.412 0.911 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114852 599125013 /nfs/dbraw/zinc/12/50/13/599125013.db2.gz CXNDJJIJSGBZGZ-BXKDBHETSA-N -1 3 390.400 0.850 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114852 599125015 /nfs/dbraw/zinc/12/50/15/599125015.db2.gz CXNDJJIJSGBZGZ-BXKDBHETSA-N -1 3 390.400 0.850 20 0 GCADHM C[C@H](OC[C@H]1CCCO1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736164906 599125088 /nfs/dbraw/zinc/12/50/88/599125088.db2.gz QVKNFZLLGAVORL-ZLKJLUDKSA-N -1 3 375.385 0.520 20 0 GCADHM C[C@H](OC[C@H]1CCCO1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736164906 599125089 /nfs/dbraw/zinc/12/50/89/599125089.db2.gz QVKNFZLLGAVORL-ZLKJLUDKSA-N -1 3 375.385 0.520 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)CC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737902 599125388 /nfs/dbraw/zinc/12/53/88/599125388.db2.gz SLVOQTSSIWZWED-INIZCTEOSA-N -1 3 386.412 0.633 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)CC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737902 599125392 /nfs/dbraw/zinc/12/53/92/599125392.db2.gz SLVOQTSSIWZWED-INIZCTEOSA-N -1 3 386.412 0.633 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)CC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737904 599125956 /nfs/dbraw/zinc/12/59/56/599125956.db2.gz SLVOQTSSIWZWED-MRXNPFEDSA-N -1 3 386.412 0.633 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)CC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737904 599125957 /nfs/dbraw/zinc/12/59/57/599125957.db2.gz SLVOQTSSIWZWED-MRXNPFEDSA-N -1 3 386.412 0.633 20 0 GCADHM COc1cccc([C@H](O)C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737125799 599127625 /nfs/dbraw/zinc/12/76/25/599127625.db2.gz DXXQJKUGOBNBED-GJZGRUSLSA-N -1 3 383.364 0.679 20 0 GCADHM COc1cccc([C@H](O)C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737125799 599127629 /nfs/dbraw/zinc/12/76/29/599127629.db2.gz DXXQJKUGOBNBED-GJZGRUSLSA-N -1 3 383.364 0.679 20 0 GCADHM CN(C)C(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736754515 599127778 /nfs/dbraw/zinc/12/77/78/599127778.db2.gz XOXCZQSNGDDZTP-HNNXBMFYSA-N -1 3 394.391 0.952 20 0 GCADHM CN(C)C(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736754515 599127779 /nfs/dbraw/zinc/12/77/79/599127779.db2.gz XOXCZQSNGDDZTP-HNNXBMFYSA-N -1 3 394.391 0.952 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737174091 599130494 /nfs/dbraw/zinc/13/04/94/599130494.db2.gz RBJRTXPTRKEUNI-GFCCVEGCSA-N -1 3 391.365 0.247 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737174091 599130496 /nfs/dbraw/zinc/13/04/96/599130496.db2.gz RBJRTXPTRKEUNI-GFCCVEGCSA-N -1 3 391.365 0.247 20 0 GCADHM CCCCc1nnc(SCC(=O)NCc2cccc(-c3nnn[n-]3)c2)n1N ZINC000821082126 599130870 /nfs/dbraw/zinc/13/08/70/599130870.db2.gz GXBBXECNAPXGNS-UHFFFAOYSA-N -1 3 387.473 0.923 20 0 GCADHM CCCCc1nnc(SCC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1N ZINC000821082126 599130872 /nfs/dbraw/zinc/13/08/72/599130872.db2.gz GXBBXECNAPXGNS-UHFFFAOYSA-N -1 3 387.473 0.923 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000738355784 599301419 /nfs/dbraw/zinc/30/14/19/599301419.db2.gz SQDWRKLPBWGLMB-NSHDSACASA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000738355784 599301418 /nfs/dbraw/zinc/30/14/18/599301418.db2.gz SQDWRKLPBWGLMB-NSHDSACASA-N -1 3 382.421 0.101 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cccc(-n2cncn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737746059 599143509 /nfs/dbraw/zinc/14/35/09/599143509.db2.gz ZGCYIKKSUGLXID-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cccc(-n2cncn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737746059 599143511 /nfs/dbraw/zinc/14/35/11/599143511.db2.gz ZGCYIKKSUGLXID-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCOC[C@@H]1CCCO1 ZINC000737058521 599149701 /nfs/dbraw/zinc/14/97/01/599149701.db2.gz MNTIEOUSKIVUCL-LBPRGKRZSA-N -1 3 390.400 0.126 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCOC[C@@H]1CCCO1 ZINC000737058521 599149703 /nfs/dbraw/zinc/14/97/03/599149703.db2.gz MNTIEOUSKIVUCL-LBPRGKRZSA-N -1 3 390.400 0.126 20 0 GCADHM NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822873668 599164619 /nfs/dbraw/zinc/16/46/19/599164619.db2.gz GDWAPDXZBJIYIO-HNNXBMFYSA-N -1 3 383.387 0.902 20 0 GCADHM NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822873668 599164622 /nfs/dbraw/zinc/16/46/22/599164622.db2.gz GDWAPDXZBJIYIO-HNNXBMFYSA-N -1 3 383.387 0.902 20 0 GCADHM CCN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736568184 599168959 /nfs/dbraw/zinc/16/89/59/599168959.db2.gz JKNUNJXLMRCKNO-LLVKDONJSA-N -1 3 393.835 0.296 20 0 GCADHM CCN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736568184 599168961 /nfs/dbraw/zinc/16/89/61/599168961.db2.gz JKNUNJXLMRCKNO-LLVKDONJSA-N -1 3 393.835 0.296 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1F ZINC000736782466 599173274 /nfs/dbraw/zinc/17/32/74/599173274.db2.gz NBIBUJSIYSLMJF-UHFFFAOYSA-N -1 3 394.432 0.415 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1F ZINC000736782466 599173276 /nfs/dbraw/zinc/17/32/76/599173276.db2.gz NBIBUJSIYSLMJF-UHFFFAOYSA-N -1 3 394.432 0.415 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000820438433 607259493 /nfs/dbraw/zinc/25/94/93/607259493.db2.gz PIMUKUMJXCBHRN-RNCFNFMXSA-N -1 3 386.865 0.518 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000820438433 607259494 /nfs/dbraw/zinc/25/94/94/607259494.db2.gz PIMUKUMJXCBHRN-RNCFNFMXSA-N -1 3 386.865 0.518 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)C1CCC2(CC1)NC(=O)NC2=O ZINC000823542663 599180643 /nfs/dbraw/zinc/18/06/43/599180643.db2.gz XRPDDRJIUKQUOF-UHFFFAOYSA-N -1 3 387.375 0.390 20 0 GCADHM O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823054581 599181518 /nfs/dbraw/zinc/18/15/18/599181518.db2.gz AZYCONMEXRCFIE-LLVKDONJSA-N -1 3 385.446 0.542 20 0 GCADHM O=C(CS[C@@H]1CCS(=O)(=O)C1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823054581 599181519 /nfs/dbraw/zinc/18/15/19/599181519.db2.gz AZYCONMEXRCFIE-LLVKDONJSA-N -1 3 385.446 0.542 20 0 GCADHM CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000821440694 599183740 /nfs/dbraw/zinc/18/37/40/599183740.db2.gz AOWDNZNHPTZBQJ-GFCCVEGCSA-N -1 3 396.448 0.684 20 0 GCADHM CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000821440694 599183743 /nfs/dbraw/zinc/18/37/43/599183743.db2.gz AOWDNZNHPTZBQJ-GFCCVEGCSA-N -1 3 396.448 0.684 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000820528306 599185274 /nfs/dbraw/zinc/18/52/74/599185274.db2.gz NLQAYLCUCFOXPB-GOEBONIOSA-N -1 3 386.456 0.957 20 0 GCADHM Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2)cn1 ZINC000737603020 599190669 /nfs/dbraw/zinc/19/06/69/599190669.db2.gz AEUWLGSOTKLDRT-SNVBAGLBSA-N -1 3 384.375 0.694 20 0 GCADHM Cn1cc([C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2)cn1 ZINC000737603020 599190672 /nfs/dbraw/zinc/19/06/72/599190672.db2.gz AEUWLGSOTKLDRT-SNVBAGLBSA-N -1 3 384.375 0.694 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000736480782 599194478 /nfs/dbraw/zinc/19/44/78/599194478.db2.gz NJUODBABBOEFPH-UHFFFAOYSA-N -1 3 383.412 0.317 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000736480782 599194480 /nfs/dbraw/zinc/19/44/80/599194480.db2.gz NJUODBABBOEFPH-UHFFFAOYSA-N -1 3 383.412 0.317 20 0 GCADHM COCCN(C(=O)CCSc1nnnn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989589 599204620 /nfs/dbraw/zinc/20/46/20/599204620.db2.gz WLPUKGNJLFRUOL-UHFFFAOYSA-N -1 3 389.445 0.552 20 0 GCADHM COCCN(C(=O)CCSc1nnnn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989589 599204622 /nfs/dbraw/zinc/20/46/22/599204622.db2.gz WLPUKGNJLFRUOL-UHFFFAOYSA-N -1 3 389.445 0.552 20 0 GCADHM COCCN(C(=O)CCCN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989183 599204795 /nfs/dbraw/zinc/20/47/95/599204795.db2.gz SAAOIVAMOSKZEB-UHFFFAOYSA-N -1 3 386.412 0.775 20 0 GCADHM COCCN(C(=O)CCCN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989183 599204797 /nfs/dbraw/zinc/20/47/97/599204797.db2.gz SAAOIVAMOSKZEB-UHFFFAOYSA-N -1 3 386.412 0.775 20 0 GCADHM COCCOC1CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC000737007183 599202800 /nfs/dbraw/zinc/20/28/00/599202800.db2.gz XEXAPKFPONFWDZ-UHFFFAOYSA-N -1 3 391.428 0.908 20 0 GCADHM COCCOC1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC000737007183 599202802 /nfs/dbraw/zinc/20/28/02/599202802.db2.gz XEXAPKFPONFWDZ-UHFFFAOYSA-N -1 3 391.428 0.908 20 0 GCADHM CC(C)[C@@]1(C)CC(=O)N(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC000735747016 599203367 /nfs/dbraw/zinc/20/33/67/599203367.db2.gz OOKITTXJYUKMSW-LJQANCHMSA-N -1 3 398.471 0.762 20 0 GCADHM CC(C)[C@@]1(C)CC(=O)N(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC000735747016 599203369 /nfs/dbraw/zinc/20/33/69/599203369.db2.gz OOKITTXJYUKMSW-LJQANCHMSA-N -1 3 398.471 0.762 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@H](NS(C)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000737549508 599209484 /nfs/dbraw/zinc/20/94/84/599209484.db2.gz WCICWPCOZIDVLN-ONGXEEELSA-N -1 3 397.461 0.027 20 0 GCADHM CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735642571 599210109 /nfs/dbraw/zinc/21/01/09/599210109.db2.gz DCNNUXXJRBPFHT-QHCPKHFHSA-N -1 3 375.451 0.831 20 0 GCADHM CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735642571 599210112 /nfs/dbraw/zinc/21/01/12/599210112.db2.gz DCNNUXXJRBPFHT-QHCPKHFHSA-N -1 3 375.451 0.831 20 0 GCADHM CN(C)C(=O)Cn1cnc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736750752 599210545 /nfs/dbraw/zinc/21/05/45/599210545.db2.gz BOCPZOSXTVHNSX-UHFFFAOYSA-N -1 3 387.429 0.277 20 0 GCADHM CN(C)C(=O)Cn1cnc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736750752 599210546 /nfs/dbraw/zinc/21/05/46/599210546.db2.gz BOCPZOSXTVHNSX-UHFFFAOYSA-N -1 3 387.429 0.277 20 0 GCADHM C[S@](=O)CCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737173849 599212664 /nfs/dbraw/zinc/21/26/64/599212664.db2.gz QIRMKWQEZWVASC-SANMLTNESA-N -1 3 378.458 0.798 20 0 GCADHM C[S@](=O)CCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737173849 599212669 /nfs/dbraw/zinc/21/26/69/599212669.db2.gz QIRMKWQEZWVASC-SANMLTNESA-N -1 3 378.458 0.798 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cccnc1N1CCOCC1 ZINC000738090436 599212999 /nfs/dbraw/zinc/21/29/99/599212999.db2.gz UCVDZDCYKUNQCN-UHFFFAOYSA-N -1 3 395.423 0.907 20 0 GCADHM C[S@](=O)CCNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737174285 599214777 /nfs/dbraw/zinc/21/47/77/599214777.db2.gz VBEBOXQXMBAWEH-SANMLTNESA-N -1 3 377.474 0.467 20 0 GCADHM C[S@](=O)CCNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737174285 599214779 /nfs/dbraw/zinc/21/47/79/599214779.db2.gz VBEBOXQXMBAWEH-SANMLTNESA-N -1 3 377.474 0.467 20 0 GCADHM C[S@](=O)CCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737174619 599214801 /nfs/dbraw/zinc/21/48/01/599214801.db2.gz WFQTVAUJSATKEL-SANMLTNESA-N -1 3 378.458 0.798 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCOC[C@H]1c1ccco1 ZINC000738038638 599215247 /nfs/dbraw/zinc/21/52/47/599215247.db2.gz LPWQJQQQQSZYQP-AWEZNQCLSA-N -1 3 382.380 0.790 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC[C@H]1c1ccco1 ZINC000738038638 599215250 /nfs/dbraw/zinc/21/52/50/599215250.db2.gz LPWQJQQQQSZYQP-AWEZNQCLSA-N -1 3 382.380 0.790 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccnc(-n2cncn2)c1 ZINC000738089598 599215344 /nfs/dbraw/zinc/21/53/44/599215344.db2.gz NYQZNNLUCFBQER-UHFFFAOYSA-N -1 3 377.368 0.651 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1sccc1-n1cnnn1 ZINC000738090427 599216486 /nfs/dbraw/zinc/21/64/86/599216486.db2.gz TYFNTXMBAQWGBJ-UHFFFAOYSA-N -1 3 383.397 0.713 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000822432029 599216652 /nfs/dbraw/zinc/21/66/52/599216652.db2.gz UGFUSONZVNEWLS-QGZVFWFLSA-N -1 3 396.455 0.935 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000822432029 599216654 /nfs/dbraw/zinc/21/66/54/599216654.db2.gz UGFUSONZVNEWLS-QGZVFWFLSA-N -1 3 396.455 0.935 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cnc2sccn2c1=O ZINC000738088151 599217951 /nfs/dbraw/zinc/21/79/51/599217951.db2.gz FPOKAPMABWLNMT-UHFFFAOYSA-N -1 3 383.393 0.745 20 0 GCADHM O=C(NCC[S@](=O)Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738086038 599219450 /nfs/dbraw/zinc/21/94/50/599219450.db2.gz SBNZNSKMIQXPHQ-NDEPHWFRSA-N -1 3 398.448 0.870 20 0 GCADHM O=C(NCC[S@](=O)Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738086038 599219452 /nfs/dbraw/zinc/21/94/52/599219452.db2.gz SBNZNSKMIQXPHQ-NDEPHWFRSA-N -1 3 398.448 0.870 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1-n1cnnn1 ZINC000738088793 599223341 /nfs/dbraw/zinc/22/33/41/599223341.db2.gz KSCSBYSGDPFMMV-UHFFFAOYSA-N -1 3 377.368 0.651 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000739605637 596900891 /nfs/dbraw/zinc/90/08/91/596900891.db2.gz CLOVEHCGDDBZTE-UHFFFAOYSA-N -1 3 386.334 0.770 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000532872206 596902636 /nfs/dbraw/zinc/90/26/36/596902636.db2.gz XMEMJDPPYAAQIA-UHFFFAOYSA-N -1 3 397.497 0.562 20 0 GCADHM O=C(COC1CCOCC1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737915443 599230298 /nfs/dbraw/zinc/23/02/98/599230298.db2.gz IJILUIPZSKMPOZ-UHFFFAOYSA-N -1 3 390.419 0.850 20 0 GCADHM O=C(COC1CCOCC1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737915443 599230301 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GCADHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000819899167 607263485 /nfs/dbraw/zinc/26/34/85/607263485.db2.gz ORZFTVJDPYRZJS-CYBMUJFWSA-N -1 3 397.457 0.753 20 0 GCADHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000819899167 607263486 /nfs/dbraw/zinc/26/34/86/607263486.db2.gz ORZFTVJDPYRZJS-CYBMUJFWSA-N -1 3 397.457 0.753 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC000820293580 607263674 /nfs/dbraw/zinc/26/36/74/607263674.db2.gz MWWFGDVYOZFJOL-QMMMGPOBSA-N -1 3 384.849 0.953 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC000820293580 607263675 /nfs/dbraw/zinc/26/36/75/607263675.db2.gz MWWFGDVYOZFJOL-QMMMGPOBSA-N -1 3 384.849 0.953 20 0 GCADHM COC(=O)CCN(C1CCOCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821661783 599235804 /nfs/dbraw/zinc/23/58/04/599235804.db2.gz YHVURAHDHQFCOO-UHFFFAOYSA-N -1 3 395.441 0.600 20 0 GCADHM COC(=O)CCN(C1CCOCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821661783 599235805 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Cc1c(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822043470 607276843 /nfs/dbraw/zinc/27/68/43/607276843.db2.gz FHIJBKFZGPWMJM-CZFJJDJESA-N -1 3 376.442 0.482 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822043470 607276844 /nfs/dbraw/zinc/27/68/44/607276844.db2.gz FHIJBKFZGPWMJM-CZFJJDJESA-N -1 3 376.442 0.482 20 0 GCADHM CCNC(=O)NC1(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000736576627 599245243 /nfs/dbraw/zinc/24/52/43/599245243.db2.gz XCWZGBQZNBEJEQ-UHFFFAOYSA-N -1 3 387.444 0.994 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cccc1-c1nnn[n-]1 ZINC000822043128 607277565 /nfs/dbraw/zinc/27/75/65/607277565.db2.gz BHORKTJQOBWWMA-CYBMUJFWSA-N -1 3 385.428 0.047 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)cccc1-c1nn[n-]n1 ZINC000822043128 607277566 /nfs/dbraw/zinc/27/75/66/607277566.db2.gz BHORKTJQOBWWMA-CYBMUJFWSA-N -1 3 385.428 0.047 20 0 GCADHM NC(=O)N[C@H](Cc1ccccc1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737758565 599245568 /nfs/dbraw/zinc/24/55/68/599245568.db2.gz NEJQZDWMPNLFJX-MRXNPFEDSA-N -1 3 395.423 0.641 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCOC[C@H]2CCOC2)cccc1-c1nnn[n-]1 ZINC000822053309 607277855 /nfs/dbraw/zinc/27/78/55/607277855.db2.gz MCJWHNBNRYWYSO-CYBMUJFWSA-N -1 3 388.428 0.673 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCCOC[C@H]2CCOC2)cccc1-c1nn[n-]n1 ZINC000822053309 607277856 /nfs/dbraw/zinc/27/78/56/607277856.db2.gz MCJWHNBNRYWYSO-CYBMUJFWSA-N -1 3 388.428 0.673 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821378968 607278053 /nfs/dbraw/zinc/27/80/53/607278053.db2.gz YPMAYJSZDVEISZ-UHFFFAOYSA-N -1 3 387.444 0.294 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821378968 607278054 /nfs/dbraw/zinc/27/80/54/607278054.db2.gz YPMAYJSZDVEISZ-UHFFFAOYSA-N -1 3 387.444 0.294 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000738090399 599245799 /nfs/dbraw/zinc/24/57/99/599245799.db2.gz SHQMLWAMTLJVOV-UHFFFAOYSA-N -1 3 393.363 0.205 20 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/nfs/dbraw/zinc/27/28/81/607272881.db2.gz ULWCRYHUTBMIQG-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821883368 607272882 /nfs/dbraw/zinc/27/28/82/607272882.db2.gz ULWCRYHUTBMIQG-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H](O)COCC(C)C)cccc1-c1nnn[n-]1 ZINC000822052184 607274107 /nfs/dbraw/zinc/27/41/07/607274107.db2.gz ADYAIEXVFHHVJD-LBPRGKRZSA-N -1 3 376.417 0.263 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H](O)COCC(C)C)cccc1-c1nn[n-]n1 ZINC000822052184 607274108 /nfs/dbraw/zinc/27/41/08/607274108.db2.gz ADYAIEXVFHHVJD-LBPRGKRZSA-N -1 3 376.417 0.263 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821114025 607274913 /nfs/dbraw/zinc/27/49/13/607274913.db2.gz JAQRTCCUVSOXRN-CYBMUJFWSA-N -1 3 399.455 0.878 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821114025 607274914 /nfs/dbraw/zinc/27/49/14/607274914.db2.gz JAQRTCCUVSOXRN-CYBMUJFWSA-N -1 3 399.455 0.878 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822045791 607275284 /nfs/dbraw/zinc/27/52/84/607275284.db2.gz UJAWSEYLUJQPAF-QWHCGFSZSA-N -1 3 387.444 0.339 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822045791 607275285 /nfs/dbraw/zinc/27/52/85/607275285.db2.gz UJAWSEYLUJQPAF-QWHCGFSZSA-N -1 3 387.444 0.339 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822045793 607275308 /nfs/dbraw/zinc/27/53/08/607275308.db2.gz UJAWSEYLUJQPAF-STQMWFEESA-N -1 3 387.444 0.339 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822045793 607275309 /nfs/dbraw/zinc/27/53/09/607275309.db2.gz UJAWSEYLUJQPAF-STQMWFEESA-N -1 3 387.444 0.339 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822045787 607275317 /nfs/dbraw/zinc/27/53/17/607275317.db2.gz UJAWSEYLUJQPAF-CHWSQXEVSA-N -1 3 387.444 0.339 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822045787 607275318 /nfs/dbraw/zinc/27/53/18/607275318.db2.gz UJAWSEYLUJQPAF-CHWSQXEVSA-N -1 3 387.444 0.339 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cccc1-c1nnn[n-]1 ZINC000822043438 607278932 /nfs/dbraw/zinc/27/89/32/607278932.db2.gz DUMGWLJJAXYVQR-LLVKDONJSA-N -1 3 385.428 0.629 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)cccc1-c1nn[n-]n1 ZINC000822043438 607278933 /nfs/dbraw/zinc/27/89/33/607278933.db2.gz DUMGWLJJAXYVQR-LLVKDONJSA-N -1 3 385.428 0.629 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822045728 607279117 /nfs/dbraw/zinc/27/91/17/607279117.db2.gz SFLJNWNWFCNGQC-CQSZACIVSA-N -1 3 384.318 0.639 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822045728 607279118 /nfs/dbraw/zinc/27/91/18/607279118.db2.gz SFLJNWNWFCNGQC-CQSZACIVSA-N -1 3 384.318 0.639 20 0 GCADHM CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000737853645 597242839 /nfs/dbraw/zinc/24/28/39/597242839.db2.gz NHTUDIVGMFLTSF-AWEZNQCLSA-N -1 3 376.457 0.394 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)cccc1-c1nnn[n-]1 ZINC000822043367 607279685 /nfs/dbraw/zinc/27/96/85/607279685.db2.gz CZSFMLHHGUMNAR-NSHDSACASA-N -1 3 395.427 0.919 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)cccc1-c1nn[n-]n1 ZINC000822043367 607279686 /nfs/dbraw/zinc/27/96/86/607279686.db2.gz CZSFMLHHGUMNAR-NSHDSACASA-N -1 3 395.427 0.919 20 0 GCADHM C[C@H](C(=O)Nc1ccncc1-c1nnn[n-]1)S(=O)(=O)c1ccc(F)cc1 ZINC000735571507 599253103 /nfs/dbraw/zinc/25/31/03/599253103.db2.gz YCFNPUFLGAMDMP-SECBINFHSA-N -1 3 376.373 0.624 20 0 GCADHM C[C@H](C(=O)Nc1ccncc1-c1nn[n-]n1)S(=O)(=O)c1ccc(F)cc1 ZINC000735571507 599253105 /nfs/dbraw/zinc/25/31/05/599253105.db2.gz YCFNPUFLGAMDMP-SECBINFHSA-N -1 3 376.373 0.624 20 0 GCADHM Cc1c(NC(=O)N[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822091861 607282432 /nfs/dbraw/zinc/28/24/32/607282432.db2.gz UETYQLRTZZFXEO-GWCFXTLKSA-N -1 3 393.473 0.967 20 0 GCADHM Cc1c(NC(=O)N[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822091861 607282433 /nfs/dbraw/zinc/28/24/33/607282433.db2.gz UETYQLRTZZFXEO-GWCFXTLKSA-N -1 3 393.473 0.967 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccncc2-c2nnn[n-]2)ccc1F ZINC000736770856 599253693 /nfs/dbraw/zinc/25/36/93/599253693.db2.gz SOTBUTPWDZQMHZ-UHFFFAOYSA-N -1 3 391.388 0.325 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccncc2-c2nn[n-]n2)ccc1F ZINC000736770856 599253694 /nfs/dbraw/zinc/25/36/94/599253694.db2.gz SOTBUTPWDZQMHZ-UHFFFAOYSA-N -1 3 391.388 0.325 20 0 GCADHM COc1ccc(C(=O)NCCCC(=O)Nc2ccncc2-c2nnn[n-]2)cc1 ZINC000737069187 599254539 /nfs/dbraw/zinc/25/45/39/599254539.db2.gz YVZYXITXZUHOAM-UHFFFAOYSA-N -1 3 381.396 0.841 20 0 GCADHM COc1ccc(C(=O)NCCCC(=O)Nc2ccncc2-c2nn[n-]n2)cc1 ZINC000737069187 599254541 /nfs/dbraw/zinc/25/45/41/599254541.db2.gz YVZYXITXZUHOAM-UHFFFAOYSA-N -1 3 381.396 0.841 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCC(=O)[O-])n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000818835373 597322225 /nfs/dbraw/zinc/32/22/25/597322225.db2.gz GTEITFMENBUABM-OAHLLOKOSA-N -1 3 385.424 0.778 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000818022199 597324909 /nfs/dbraw/zinc/32/49/09/597324909.db2.gz FDGNNLABDSTYLR-ZFWWWQNUSA-N -1 3 385.424 0.858 20 0 GCADHM Cc1c(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)cccc1-c1nnn[n-]1 ZINC000822084543 607283972 /nfs/dbraw/zinc/28/39/72/607283972.db2.gz MMBQZHXGKQDFGP-UHFFFAOYSA-N -1 3 384.444 0.603 20 0 GCADHM Cc1c(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)cccc1-c1nn[n-]n1 ZINC000822084543 607283973 /nfs/dbraw/zinc/28/39/73/607283973.db2.gz MMBQZHXGKQDFGP-UHFFFAOYSA-N -1 3 384.444 0.603 20 0 GCADHM Cc1c(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822075284 607285583 /nfs/dbraw/zinc/28/55/83/607285583.db2.gz AVYMNZNKKBSZLX-CYBMUJFWSA-N -1 3 375.433 0.332 20 0 GCADHM Cc1c(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822075284 607285584 /nfs/dbraw/zinc/28/55/84/607285584.db2.gz AVYMNZNKKBSZLX-CYBMUJFWSA-N -1 3 375.433 0.332 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CN(C)CCO1 ZINC000820314841 607292635 /nfs/dbraw/zinc/29/26/35/607292635.db2.gz KUGNGGITJIVZQN-TVQRCGJNSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736167357 599259002 /nfs/dbraw/zinc/25/90/02/599259002.db2.gz FHXAJNQYEQPUSZ-NHYWBVRUSA-N -1 3 396.411 0.289 20 0 GCADHM Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)cccc1-c1nn[n-]n1 ZINC000822060904 607293920 /nfs/dbraw/zinc/29/39/20/607293920.db2.gz JQMDBUZBWGOMHY-JTQLQIEISA-N -1 3 390.429 0.214 20 0 GCADHM Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)cccc1-c1nn[n-]n1 ZINC000822060906 607294031 /nfs/dbraw/zinc/29/40/31/607294031.db2.gz JQMDBUZBWGOMHY-SNVBAGLBSA-N -1 3 390.429 0.214 20 0 GCADHM Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822242564 607294165 /nfs/dbraw/zinc/29/41/65/607294165.db2.gz PIYHVZCWWKDGNT-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822242564 607294166 /nfs/dbraw/zinc/29/41/66/607294166.db2.gz PIYHVZCWWKDGNT-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609793 599260656 /nfs/dbraw/zinc/26/06/56/599260656.db2.gz JMSJXTCSXZVONJ-LFAOLKIESA-N -1 3 378.396 0.535 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609793 599260659 /nfs/dbraw/zinc/26/06/59/599260659.db2.gz JMSJXTCSXZVONJ-LFAOLKIESA-N -1 3 378.396 0.535 20 0 GCADHM CN1C[C@H](NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)CCC1=O ZINC000821620882 607301593 /nfs/dbraw/zinc/30/15/93/607301593.db2.gz YVFUBUKINQZUBJ-GFCCVEGCSA-N -1 3 385.428 0.713 20 0 GCADHM CN1C[C@H](NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)CCC1=O ZINC000821620882 607301594 /nfs/dbraw/zinc/30/15/94/607301594.db2.gz YVFUBUKINQZUBJ-GFCCVEGCSA-N -1 3 385.428 0.713 20 0 GCADHM COCCCS(=O)(=O)N1CCN(c2nc(C)cc(C)c2-c2nnn[n-]2)CC1 ZINC000821688496 607307469 /nfs/dbraw/zinc/30/74/69/607307469.db2.gz MXBBMHMACYJPCU-UHFFFAOYSA-N -1 3 395.489 0.367 20 0 GCADHM COCCCS(=O)(=O)N1CCN(c2nc(C)cc(C)c2-c2nn[n-]n2)CC1 ZINC000821688496 607307470 /nfs/dbraw/zinc/30/74/70/607307470.db2.gz MXBBMHMACYJPCU-UHFFFAOYSA-N -1 3 395.489 0.367 20 0 GCADHM O=C1[C@H](N2CCN([C@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823504306 607311673 /nfs/dbraw/zinc/31/16/73/607311673.db2.gz OWOWVHNNFHDFKX-DLBZAZTESA-N -1 3 383.456 0.379 20 0 GCADHM Cc1oc(NC(=O)CN2CCN([C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1C ZINC000822548759 607311881 /nfs/dbraw/zinc/31/18/81/607311881.db2.gz NGJANKVVKVHOLF-CYBMUJFWSA-N -1 3 375.433 0.422 20 0 GCADHM Cc1oc(NC(=O)CN2CCN([C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1C ZINC000822548759 607311882 /nfs/dbraw/zinc/31/18/82/607311882.db2.gz NGJANKVVKVHOLF-CYBMUJFWSA-N -1 3 375.433 0.422 20 0 GCADHM CNC(=O)c1ccc(OC)c(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821635043 607312553 /nfs/dbraw/zinc/31/25/53/607312553.db2.gz JGWUCJREBJPKMZ-JTQLQIEISA-N -1 3 383.416 0.585 20 0 GCADHM CNC(=O)c1ccc(OC)c(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821635043 607312554 /nfs/dbraw/zinc/31/25/54/607312554.db2.gz JGWUCJREBJPKMZ-JTQLQIEISA-N -1 3 383.416 0.585 20 0 GCADHM Cc1nnnn1-c1cccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000822519609 607313275 /nfs/dbraw/zinc/31/32/75/607313275.db2.gz JOGYEGFNXLELQZ-NSHDSACASA-N -1 3 378.404 0.501 20 0 GCADHM Cc1nnnn1-c1cccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000822519609 607313276 /nfs/dbraw/zinc/31/32/76/607313276.db2.gz JOGYEGFNXLELQZ-NSHDSACASA-N -1 3 378.404 0.501 20 0 GCADHM Cc1nnnn1-c1cccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000822519608 607313438 /nfs/dbraw/zinc/31/34/38/607313438.db2.gz JOGYEGFNXLELQZ-LLVKDONJSA-N -1 3 378.404 0.501 20 0 GCADHM Cc1nnnn1-c1cccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000822519608 607313439 /nfs/dbraw/zinc/31/34/39/607313439.db2.gz JOGYEGFNXLELQZ-LLVKDONJSA-N -1 3 378.404 0.501 20 0 GCADHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000819899506 607313900 /nfs/dbraw/zinc/31/39/00/607313900.db2.gz VGMMJRCKUODUBC-LBPRGKRZSA-N -1 3 384.437 0.586 20 0 GCADHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000819899506 607313901 /nfs/dbraw/zinc/31/39/01/607313901.db2.gz VGMMJRCKUODUBC-LBPRGKRZSA-N -1 3 384.437 0.586 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H](CO)Cc2ccco2)c(-c2nnn[n-]2)c1 ZINC000737770334 599265453 /nfs/dbraw/zinc/26/54/53/599265453.db2.gz STSAXKMEAGICOU-SNVBAGLBSA-N -1 3 378.414 0.370 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H](CO)Cc2ccco2)c(-c2nn[n-]n2)c1 ZINC000737770334 599265455 /nfs/dbraw/zinc/26/54/55/599265455.db2.gz STSAXKMEAGICOU-SNVBAGLBSA-N -1 3 378.414 0.370 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(c2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000819789405 607305226 /nfs/dbraw/zinc/30/52/26/607305226.db2.gz NOKUFKWMQYHVAS-ZDUSSCGKSA-N -1 3 398.431 0.592 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(c2nnc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000819789405 607305227 /nfs/dbraw/zinc/30/52/27/607305227.db2.gz NOKUFKWMQYHVAS-ZDUSSCGKSA-N -1 3 398.431 0.592 20 0 GCADHM CC(=O)NCCN(C(=O)[C@@H]1CCCN(Cc2cccnc2)C1)[C@H](C)C(=O)[O-] ZINC000819744493 597688789 /nfs/dbraw/zinc/68/87/89/597688789.db2.gz PNCWWEYINANRDR-RHSMWYFYSA-N -1 3 376.457 0.731 20 0 GCADHM COC[C@H](C)S(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736968814 599274131 /nfs/dbraw/zinc/27/41/31/599274131.db2.gz JKNMSVYUMVPHHN-NSHDSACASA-N -1 3 381.462 0.185 20 0 GCADHM COC[C@H](C)S(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736968814 599274132 /nfs/dbraw/zinc/27/41/32/599274132.db2.gz JKNMSVYUMVPHHN-NSHDSACASA-N -1 3 381.462 0.185 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000736184696 599274482 /nfs/dbraw/zinc/27/44/82/599274482.db2.gz MIXLVVLJKNDKNS-MFKMUULPSA-N -1 3 397.482 0.580 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000736184696 599274483 /nfs/dbraw/zinc/27/44/83/599274483.db2.gz MIXLVVLJKNDKNS-MFKMUULPSA-N -1 3 397.482 0.580 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000736171186 599274864 /nfs/dbraw/zinc/27/48/64/599274864.db2.gz ULSRMLMJNYQIEN-MFKMUULPSA-N -1 3 397.482 0.580 20 0 GCADHM NC(=O)[C@H](NCc1cccc(-n2cncn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735398 599276611 /nfs/dbraw/zinc/27/66/11/599276611.db2.gz CSLYNOGYKVYGEN-MRXNPFEDSA-N -1 3 375.396 0.764 20 0 GCADHM O=C([O-])CNC(=O)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000262220967 597772675 /nfs/dbraw/zinc/77/26/75/597772675.db2.gz LHEQANVWOQOVEE-MRXNPFEDSA-N -1 3 375.473 0.116 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000735475485 599277677 /nfs/dbraw/zinc/27/76/77/599277677.db2.gz VXDZGUQIGZYDAL-NSHDSACASA-N -1 3 379.808 0.889 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000735475485 599277679 /nfs/dbraw/zinc/27/76/79/599277679.db2.gz VXDZGUQIGZYDAL-NSHDSACASA-N -1 3 379.808 0.889 20 0 GCADHM CCC1N=NC(=S)N1CCNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736711252 599279890 /nfs/dbraw/zinc/27/98/90/599279890.db2.gz SPVWSFNAWWVYEW-SNVBAGLBSA-N -1 3 388.457 0.893 20 0 GCADHM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCN(C)[C@H](C)C1 ZINC000737487388 599281517 /nfs/dbraw/zinc/28/15/17/599281517.db2.gz IGNLAWJZLKCBAU-LLVKDONJSA-N -1 3 383.460 0.621 20 0 GCADHM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCN(C)[C@H](C)C1 ZINC000737487388 599281523 /nfs/dbraw/zinc/28/15/23/599281523.db2.gz IGNLAWJZLKCBAU-LLVKDONJSA-N -1 3 383.460 0.621 20 0 GCADHM NS(=O)(=O)c1cccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822898879 599283294 /nfs/dbraw/zinc/28/32/94/599283294.db2.gz AWRIFPRZFPQZTB-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1cccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822898879 599283295 /nfs/dbraw/zinc/28/32/95/599283295.db2.gz AWRIFPRZFPQZTB-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1-c1nnn[n-]1 ZINC000737399165 599284820 /nfs/dbraw/zinc/28/48/20/599284820.db2.gz LQZRAEXVWODDCQ-GFCCVEGCSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1-c1nn[n-]n1 ZINC000737399165 599284822 /nfs/dbraw/zinc/28/48/22/599284822.db2.gz LQZRAEXVWODDCQ-GFCCVEGCSA-N -1 3 380.412 0.863 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCc1cn[nH]c1 ZINC000820450584 607321706 /nfs/dbraw/zinc/32/17/06/607321706.db2.gz NDZFOYYKVWJFMW-SNVBAGLBSA-N -1 3 391.413 0.043 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCc1cn[nH]c1 ZINC000820450584 607321707 /nfs/dbraw/zinc/32/17/07/607321707.db2.gz NDZFOYYKVWJFMW-SNVBAGLBSA-N -1 3 391.413 0.043 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCc1cn[nH]c1 ZINC000820446316 607322331 /nfs/dbraw/zinc/32/23/31/607322331.db2.gz UPYUWOGQZXGSSO-JTQLQIEISA-N -1 3 391.413 0.043 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCc1cn[nH]c1 ZINC000820446316 607322332 /nfs/dbraw/zinc/32/23/32/607322332.db2.gz UPYUWOGQZXGSSO-JTQLQIEISA-N -1 3 391.413 0.043 20 0 GCADHM CN(C[C@H]1CN(CCOc2cccc(-c3nnn[n-]3)c2)CCO1)c1cccnn1 ZINC000736791370 599292429 /nfs/dbraw/zinc/29/24/29/599292429.db2.gz MEKWSMOAVDJYAB-KRWDZBQOSA-N -1 3 396.455 0.873 20 0 GCADHM CN(C[C@H]1CN(CCOc2cccc(-c3nn[n-]n3)c2)CCO1)c1cccnn1 ZINC000736791370 599292432 /nfs/dbraw/zinc/29/24/32/599292432.db2.gz MEKWSMOAVDJYAB-KRWDZBQOSA-N -1 3 396.455 0.873 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821635313 607333449 /nfs/dbraw/zinc/33/34/49/607333449.db2.gz WYGHHPLELBQGFO-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821635313 607333450 /nfs/dbraw/zinc/33/34/50/607333450.db2.gz WYGHHPLELBQGFO-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823187392 607332835 /nfs/dbraw/zinc/33/28/35/607332835.db2.gz JKXQOUXERNZIBP-UHFFFAOYSA-N -1 3 375.364 0.073 20 0 GCADHM O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823187392 607332836 /nfs/dbraw/zinc/33/28/36/607332836.db2.gz JKXQOUXERNZIBP-UHFFFAOYSA-N -1 3 375.364 0.073 20 0 GCADHM Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000822491994 607333754 /nfs/dbraw/zinc/33/37/54/607333754.db2.gz MSHUVGMEXXOGNO-UHFFFAOYSA-N -1 3 386.391 0.654 20 0 GCADHM Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000822491994 607333755 /nfs/dbraw/zinc/33/37/55/607333755.db2.gz MSHUVGMEXXOGNO-UHFFFAOYSA-N -1 3 386.391 0.654 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000823323107 607335150 /nfs/dbraw/zinc/33/51/50/607335150.db2.gz BQBDLOLINZBCQI-UHFFFAOYSA-N -1 3 387.375 0.025 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000823323107 607335152 /nfs/dbraw/zinc/33/51/52/607335152.db2.gz BQBDLOLINZBCQI-UHFFFAOYSA-N -1 3 387.375 0.025 20 0 GCADHM CC(C)(C)OC(=O)NCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819939813 607335243 /nfs/dbraw/zinc/33/52/43/607335243.db2.gz KHCJOKWKTJQXFW-UHFFFAOYSA-N -1 3 393.379 0.585 20 0 GCADHM CC(C)(C)OC(=O)NCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819939813 607335245 /nfs/dbraw/zinc/33/52/45/607335245.db2.gz KHCJOKWKTJQXFW-UHFFFAOYSA-N -1 3 393.379 0.585 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821655986 607337540 /nfs/dbraw/zinc/33/75/40/607337540.db2.gz VKWGRMUZAWJWOL-UHFFFAOYSA-N -1 3 390.375 0.792 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821655986 607337542 /nfs/dbraw/zinc/33/75/42/607337542.db2.gz VKWGRMUZAWJWOL-UHFFFAOYSA-N -1 3 390.375 0.792 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822890174 607337921 /nfs/dbraw/zinc/33/79/21/607337921.db2.gz OBVKEBPUPZUYQM-UHFFFAOYSA-N -1 3 397.370 0.402 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822890174 607337923 /nfs/dbraw/zinc/33/79/23/607337923.db2.gz OBVKEBPUPZUYQM-UHFFFAOYSA-N -1 3 397.370 0.402 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC000819882981 607338003 /nfs/dbraw/zinc/33/80/03/607338003.db2.gz DGZWCTLTGPOEAG-DTWKUNHWSA-N -1 3 398.420 0.224 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC000819882981 607338004 /nfs/dbraw/zinc/33/80/04/607338004.db2.gz DGZWCTLTGPOEAG-DTWKUNHWSA-N -1 3 398.420 0.224 20 0 GCADHM O=C(NCc1cn2c(n1)CCCC2)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823265900 607338024 /nfs/dbraw/zinc/33/80/24/607338024.db2.gz IUEDVGVXXFMLAC-UHFFFAOYSA-N -1 3 384.375 0.794 20 0 GCADHM O=C(NCc1cn2c(n1)CCCC2)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823265900 607338027 /nfs/dbraw/zinc/33/80/27/607338027.db2.gz IUEDVGVXXFMLAC-UHFFFAOYSA-N -1 3 384.375 0.794 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC[C@H]1Cn1cncn1 ZINC000823323327 607339811 /nfs/dbraw/zinc/33/98/11/607339811.db2.gz KRBPQRWUKLWLEN-NSHDSACASA-N -1 3 385.363 0.227 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC[C@H]1Cn1cncn1 ZINC000823323327 607339813 /nfs/dbraw/zinc/33/98/13/607339813.db2.gz KRBPQRWUKLWLEN-NSHDSACASA-N -1 3 385.363 0.227 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823210851 607339861 /nfs/dbraw/zinc/33/98/61/607339861.db2.gz HLVMVVMEJVEXLY-LLVKDONJSA-N -1 3 378.364 0.256 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823210851 607339863 /nfs/dbraw/zinc/33/98/63/607339863.db2.gz HLVMVVMEJVEXLY-LLVKDONJSA-N -1 3 378.364 0.256 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820643413 607340437 /nfs/dbraw/zinc/34/04/37/607340437.db2.gz VUSNCIYFVGXAEJ-IBZIYZMPSA-N -1 3 380.405 0.312 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820643413 607340439 /nfs/dbraw/zinc/34/04/39/607340439.db2.gz VUSNCIYFVGXAEJ-IBZIYZMPSA-N -1 3 380.405 0.312 20 0 GCADHM O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823170458 607340960 /nfs/dbraw/zinc/34/09/60/607340960.db2.gz BIRCNDQDIMCFQG-UHFFFAOYSA-N -1 3 396.382 0.590 20 0 GCADHM O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823170458 607340962 /nfs/dbraw/zinc/34/09/62/607340962.db2.gz BIRCNDQDIMCFQG-UHFFFAOYSA-N -1 3 396.382 0.590 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820524194 598174199 /nfs/dbraw/zinc/17/41/99/598174199.db2.gz IZAYQYVGMGSJKI-HNNXBMFYSA-N -1 3 390.440 0.382 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000823323356 607342627 /nfs/dbraw/zinc/34/26/27/607342627.db2.gz LRNWDKNRTYABHN-CYBMUJFWSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000823323356 607342628 /nfs/dbraw/zinc/34/26/28/607342628.db2.gz LRNWDKNRTYABHN-CYBMUJFWSA-N -1 3 384.371 0.664 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821510169 607343320 /nfs/dbraw/zinc/34/33/20/607343320.db2.gz YJWFNLOUGUXNHH-LBPRGKRZSA-N -1 3 399.390 0.750 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821510169 607343322 /nfs/dbraw/zinc/34/33/22/607343322.db2.gz YJWFNLOUGUXNHH-LBPRGKRZSA-N -1 3 399.390 0.750 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000820838036 607344297 /nfs/dbraw/zinc/34/42/97/607344297.db2.gz OUYBHGRPVGNNJX-SNVBAGLBSA-N -1 3 375.364 0.071 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000820838036 607344299 /nfs/dbraw/zinc/34/42/99/607344299.db2.gz OUYBHGRPVGNNJX-SNVBAGLBSA-N -1 3 375.364 0.071 20 0 GCADHM CCCC[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736436597 598231249 /nfs/dbraw/zinc/23/12/49/598231249.db2.gz DTAXMNDXALXLLX-CQSZACIVSA-N -1 3 386.460 0.742 20 0 GCADHM CCCC[C@@H](NC(N)=O)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736436597 598231250 /nfs/dbraw/zinc/23/12/50/598231250.db2.gz DTAXMNDXALXLLX-CQSZACIVSA-N -1 3 386.460 0.742 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)nc1 ZINC000737759964 598232170 /nfs/dbraw/zinc/23/21/70/598232170.db2.gz LXYXLQHAEDFZKQ-UHFFFAOYSA-N -1 3 396.386 0.462 20 0 GCADHM CC[C@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CCO1 ZINC000736408759 598233100 /nfs/dbraw/zinc/23/31/00/598233100.db2.gz UVJAJMQOSCVYAX-KSSFIOAISA-N -1 3 385.428 0.702 20 0 GCADHM CC[C@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CCO1 ZINC000736408759 598233102 /nfs/dbraw/zinc/23/31/02/598233102.db2.gz UVJAJMQOSCVYAX-KSSFIOAISA-N -1 3 385.428 0.702 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C[C@@H](C)O1 ZINC000736285141 598233154 /nfs/dbraw/zinc/23/31/54/598233154.db2.gz ILYBFDNIYZTOEF-FMTVUPSXSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C[C@@H](C)O1 ZINC000736285141 598233156 /nfs/dbraw/zinc/23/31/56/598233156.db2.gz ILYBFDNIYZTOEF-FMTVUPSXSA-N -1 3 385.428 0.700 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCN1CCOC[C@H]1C ZINC000737022837 598234170 /nfs/dbraw/zinc/23/41/70/598234170.db2.gz CIOHRBXFNYXHRZ-GFCCVEGCSA-N -1 3 376.417 0.091 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCN1CCOC[C@H]1C ZINC000737022837 598234172 /nfs/dbraw/zinc/23/41/72/598234172.db2.gz CIOHRBXFNYXHRZ-GFCCVEGCSA-N -1 3 376.417 0.091 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737792277 598236573 /nfs/dbraw/zinc/23/65/73/598236573.db2.gz NGYBNOXBBNUWJK-ZDUSSCGKSA-N -1 3 391.453 0.671 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737792277 598236574 /nfs/dbraw/zinc/23/65/74/598236574.db2.gz NGYBNOXBBNUWJK-ZDUSSCGKSA-N -1 3 391.453 0.671 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)[C@H](C)N1CCOCC1 ZINC000736131815 598253350 /nfs/dbraw/zinc/25/33/50/598253350.db2.gz SHEHPFKBJSNNPR-QWRGUYRKSA-N -1 3 384.437 0.393 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)[C@H](C)N1CCOCC1 ZINC000736131815 598253352 /nfs/dbraw/zinc/25/33/52/598253352.db2.gz SHEHPFKBJSNNPR-QWRGUYRKSA-N -1 3 384.437 0.393 20 0 GCADHM CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736576258 598256180 /nfs/dbraw/zinc/25/61/80/598256180.db2.gz NPRWXOSOXIGQJN-NSHDSACASA-N -1 3 390.423 0.362 20 0 GCADHM COCCCNC(=O)[C@H](C)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736985250 598256285 /nfs/dbraw/zinc/25/62/85/598256285.db2.gz DSZSQUFCKRAJOU-ZDUSSCGKSA-N -1 3 391.451 0.669 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)Nc1nncs1 ZINC000737881443 598256549 /nfs/dbraw/zinc/25/65/49/598256549.db2.gz DWODVKPLKDWUSH-UHFFFAOYSA-N -1 3 389.420 0.618 20 0 GCADHM CN(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000736760910 598260505 /nfs/dbraw/zinc/26/05/05/598260505.db2.gz RMKBNRXTNBWDRC-LBPRGKRZSA-N -1 3 379.471 0.904 20 0 GCADHM CN(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000736760910 598260507 /nfs/dbraw/zinc/26/05/07/598260507.db2.gz RMKBNRXTNBWDRC-LBPRGKRZSA-N -1 3 379.471 0.904 20 0 GCADHM CCNC(=O)CCCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736572373 598260701 /nfs/dbraw/zinc/26/07/01/598260701.db2.gz AQRRVNMKCGUTEB-UHFFFAOYSA-N -1 3 386.460 0.653 20 0 GCADHM CCNC(=O)CCCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736572373 598260705 /nfs/dbraw/zinc/26/07/05/598260705.db2.gz AQRRVNMKCGUTEB-UHFFFAOYSA-N -1 3 386.460 0.653 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccccc2C1 ZINC000736025472 598263433 /nfs/dbraw/zinc/26/34/33/598263433.db2.gz HNHGZKCGEWJIJO-ZDUSSCGKSA-N -1 3 399.480 0.987 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccccc2C1 ZINC000736025472 598263434 /nfs/dbraw/zinc/26/34/34/598263434.db2.gz HNHGZKCGEWJIJO-ZDUSSCGKSA-N -1 3 399.480 0.987 20 0 GCADHM CCOCCS(=O)(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736625786 598263850 /nfs/dbraw/zinc/26/38/50/598263850.db2.gz MMWGERVFAMGUMW-UHFFFAOYSA-N -1 3 384.437 0.494 20 0 GCADHM CCOCCS(=O)(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736625786 598263853 /nfs/dbraw/zinc/26/38/53/598263853.db2.gz MMWGERVFAMGUMW-UHFFFAOYSA-N -1 3 384.437 0.494 20 0 GCADHM Cc1nn(C)c2ncc(S(=O)(=O)NCc3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000737511756 598265464 /nfs/dbraw/zinc/26/54/64/598265464.db2.gz RPUVUZZGAMVJAC-UHFFFAOYSA-N -1 3 384.425 0.935 20 0 GCADHM Cc1nn(C)c2ncc(S(=O)(=O)NCc3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000737511756 598265465 /nfs/dbraw/zinc/26/54/65/598265465.db2.gz RPUVUZZGAMVJAC-UHFFFAOYSA-N -1 3 384.425 0.935 20 0 GCADHM CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736765488 598266711 /nfs/dbraw/zinc/26/67/11/598266711.db2.gz XHKGFEJQSZGFHI-CQSZACIVSA-N -1 3 387.469 0.713 20 0 GCADHM O=S(=O)(Cc1ccc(Cl)nc1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000738328783 598269366 /nfs/dbraw/zinc/26/93/66/598269366.db2.gz FEXGCVNASFKYBB-UHFFFAOYSA-N -1 3 394.848 0.842 20 0 GCADHM O=S(=O)(Cc1ccc(Cl)nc1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000738328783 598269367 /nfs/dbraw/zinc/26/93/67/598269367.db2.gz FEXGCVNASFKYBB-UHFFFAOYSA-N -1 3 394.848 0.842 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000737002013 598270771 /nfs/dbraw/zinc/27/07/71/598270771.db2.gz JPPRXRZXNVNIHG-HNNXBMFYSA-N -1 3 381.458 0.824 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000737002013 598270773 /nfs/dbraw/zinc/27/07/73/598270773.db2.gz JPPRXRZXNVNIHG-HNNXBMFYSA-N -1 3 381.458 0.824 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735685479 598271511 /nfs/dbraw/zinc/27/15/11/598271511.db2.gz WGYVXJZSSOWGCM-CYBMUJFWSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735685479 598271512 /nfs/dbraw/zinc/27/15/12/598271512.db2.gz WGYVXJZSSOWGCM-CYBMUJFWSA-N -1 3 378.458 0.792 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736411350 598273690 /nfs/dbraw/zinc/27/36/90/598273690.db2.gz IXPFFIJAVOBFNL-ZDUSSCGKSA-N -1 3 378.458 0.936 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736411350 598273692 /nfs/dbraw/zinc/27/36/92/598273692.db2.gz IXPFFIJAVOBFNL-ZDUSSCGKSA-N -1 3 378.458 0.936 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000735660280 598277302 /nfs/dbraw/zinc/27/73/02/598277302.db2.gz LEEYSRQVRPNMPT-CYBMUJFWSA-N -1 3 392.464 0.238 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000735660280 598277303 /nfs/dbraw/zinc/27/73/03/598277303.db2.gz LEEYSRQVRPNMPT-CYBMUJFWSA-N -1 3 392.464 0.238 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000735893670 598280657 /nfs/dbraw/zinc/28/06/57/598280657.db2.gz ZRLOEFGVIDATOC-UHFFFAOYSA-N -1 3 398.493 0.873 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000735893670 598280659 /nfs/dbraw/zinc/28/06/59/598280659.db2.gz ZRLOEFGVIDATOC-UHFFFAOYSA-N -1 3 398.493 0.873 20 0 GCADHM CC(C)(CO)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000819983864 607347205 /nfs/dbraw/zinc/34/72/05/607347205.db2.gz IDKLHIGIIDDQID-UHFFFAOYSA-N -1 3 384.343 0.541 20 0 GCADHM CC(C)(CO)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000819983864 607347206 /nfs/dbraw/zinc/34/72/06/607347206.db2.gz IDKLHIGIIDDQID-UHFFFAOYSA-N -1 3 384.343 0.541 20 0 GCADHM O=C(NCCN1CCOCC1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738075280 598283019 /nfs/dbraw/zinc/28/30/19/598283019.db2.gz MOHYIFNBPRRCOI-UHFFFAOYSA-N -1 3 386.460 0.031 20 0 GCADHM O=C(NCCN1CCOCC1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738075280 598283020 /nfs/dbraw/zinc/28/30/20/598283020.db2.gz MOHYIFNBPRRCOI-UHFFFAOYSA-N -1 3 386.460 0.031 20 0 GCADHM Cn1cc(CCNC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000737603309 598284334 /nfs/dbraw/zinc/28/43/34/598284334.db2.gz XYSFRCQAHYQSRH-UHFFFAOYSA-N -1 3 381.444 0.675 20 0 GCADHM Cn1cc(CCNC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000737603309 598284336 /nfs/dbraw/zinc/28/43/36/598284336.db2.gz XYSFRCQAHYQSRH-UHFFFAOYSA-N -1 3 381.444 0.675 20 0 GCADHM O=C(CCCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)NC1CC1 ZINC000737841562 598284570 /nfs/dbraw/zinc/28/45/70/598284570.db2.gz MNCIAURTCPQSNK-UHFFFAOYSA-N -1 3 398.471 0.757 20 0 GCADHM O=C(CCCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)NC1CC1 ZINC000737841562 598284571 /nfs/dbraw/zinc/28/45/71/598284571.db2.gz MNCIAURTCPQSNK-UHFFFAOYSA-N -1 3 398.471 0.757 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCCN1C(=O)Cc2ccccc21 ZINC000737896745 598289021 /nfs/dbraw/zinc/28/90/21/598289021.db2.gz YFCKPGUKNSPZNI-UHFFFAOYSA-N -1 3 377.408 0.984 20 0 GCADHM Cn1nnc2cc(C(=O)OCC(=O)NCc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000737626638 598289232 /nfs/dbraw/zinc/28/92/32/598289232.db2.gz HZOWUGHDPNEPQI-UHFFFAOYSA-N -1 3 392.379 0.622 20 0 GCADHM Cn1nnc2cc(C(=O)OCC(=O)NCc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000737626638 598289234 /nfs/dbraw/zinc/28/92/34/598289234.db2.gz HZOWUGHDPNEPQI-UHFFFAOYSA-N -1 3 392.379 0.622 20 0 GCADHM Cn1cc(CC(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cn1 ZINC000737605507 598289876 /nfs/dbraw/zinc/28/98/76/598289876.db2.gz VALXMAKTBDYMTM-UHFFFAOYSA-N -1 3 375.776 0.978 20 0 GCADHM Cn1cc(CC(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000737605507 598289877 /nfs/dbraw/zinc/28/98/77/598289877.db2.gz VALXMAKTBDYMTM-UHFFFAOYSA-N -1 3 375.776 0.978 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736292801 598291562 /nfs/dbraw/zinc/29/15/62/598291562.db2.gz MCZAILRZCITETP-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736292801 598291564 /nfs/dbraw/zinc/29/15/64/598291564.db2.gz MCZAILRZCITETP-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM COCCn1ccc(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000737015911 598292351 /nfs/dbraw/zinc/29/23/51/598292351.db2.gz HCBZGVZINOOEHO-UHFFFAOYSA-N -1 3 398.431 0.459 20 0 GCADHM COCCn1ccc(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000737015911 598292352 /nfs/dbraw/zinc/29/23/52/598292352.db2.gz HCBZGVZINOOEHO-UHFFFAOYSA-N -1 3 398.431 0.459 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735587012 598292549 /nfs/dbraw/zinc/29/25/49/598292549.db2.gz PPFBQDLAXKSBCV-NSHDSACASA-N -1 3 376.421 0.226 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735587012 598292551 /nfs/dbraw/zinc/29/25/51/598292551.db2.gz PPFBQDLAXKSBCV-NSHDSACASA-N -1 3 376.421 0.226 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCN1CCCS1(=O)=O ZINC000737295454 598293313 /nfs/dbraw/zinc/29/33/13/598293313.db2.gz XNUDINKDGFNHMB-UHFFFAOYSA-N -1 3 379.446 0.722 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCN1CCCS1(=O)=O ZINC000737295454 598293315 /nfs/dbraw/zinc/29/33/15/598293315.db2.gz XNUDINKDGFNHMB-UHFFFAOYSA-N -1 3 379.446 0.722 20 0 GCADHM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735724352 598293691 /nfs/dbraw/zinc/29/36/91/598293691.db2.gz IORZAINRHCZWPJ-CYBMUJFWSA-N -1 3 399.415 0.038 20 0 GCADHM CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735724352 598293693 /nfs/dbraw/zinc/29/36/93/598293693.db2.gz IORZAINRHCZWPJ-CYBMUJFWSA-N -1 3 399.415 0.038 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000738317169 598293976 /nfs/dbraw/zinc/29/39/76/598293976.db2.gz ZNAJRXLYBNESNR-HNNXBMFYSA-N -1 3 392.375 0.765 20 0 GCADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CCn2ccccc2=O)C1=O ZINC000736221924 598294172 /nfs/dbraw/zinc/29/41/72/598294172.db2.gz CNJGRMKOWODLGS-GOSISDBHSA-N -1 3 379.380 0.496 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CCn2ccccc2=O)C1=O ZINC000736221924 598294174 /nfs/dbraw/zinc/29/41/74/598294174.db2.gz CNJGRMKOWODLGS-GOSISDBHSA-N -1 3 379.380 0.496 20 0 GCADHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000736320706 598294577 /nfs/dbraw/zinc/29/45/77/598294577.db2.gz WKTSSIRQOLDVLZ-NWDGAFQWSA-N -1 3 390.448 0.473 20 0 GCADHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000736320706 598294578 /nfs/dbraw/zinc/29/45/78/598294578.db2.gz WKTSSIRQOLDVLZ-NWDGAFQWSA-N -1 3 390.448 0.473 20 0 GCADHM Cc1nn(-c2ccccc2)cc1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737509473 598294731 /nfs/dbraw/zinc/29/47/31/598294731.db2.gz NVKVVEAKKDGZEN-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM Cc1nn(-c2ccccc2)cc1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737509473 598294733 /nfs/dbraw/zinc/29/47/33/598294733.db2.gz NVKVVEAKKDGZEN-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCc1nc(-c2ccccn2)no1 ZINC000737772327 598295012 /nfs/dbraw/zinc/29/50/12/598295012.db2.gz YCDQDDCNNHWVGM-UHFFFAOYSA-N -1 3 396.371 0.266 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCc1nc(-c2ccccn2)no1 ZINC000737772327 598295014 /nfs/dbraw/zinc/29/50/14/598295014.db2.gz YCDQDDCNNHWVGM-UHFFFAOYSA-N -1 3 396.371 0.266 20 0 GCADHM C[C@H]1Oc2c(cccc2C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)NC1=O ZINC000736302123 598295476 /nfs/dbraw/zinc/29/54/76/598295476.db2.gz QEEHOKYDXZJKMB-MRVPVSSYSA-N -1 3 384.356 0.222 20 0 GCADHM C[C@H]1Oc2c(cccc2C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)NC1=O ZINC000736302123 598295478 /nfs/dbraw/zinc/29/54/78/598295478.db2.gz QEEHOKYDXZJKMB-MRVPVSSYSA-N -1 3 384.356 0.222 20 0 GCADHM CCCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736472887 598300744 /nfs/dbraw/zinc/30/07/44/598300744.db2.gz VNXYYOPJLLJNLM-LBPRGKRZSA-N -1 3 396.498 0.799 20 0 GCADHM CCCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736472887 598300746 /nfs/dbraw/zinc/30/07/46/598300746.db2.gz VNXYYOPJLLJNLM-LBPRGKRZSA-N -1 3 396.498 0.799 20 0 GCADHM O=C([C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1)N1CCCC1 ZINC000737792597 598301042 /nfs/dbraw/zinc/30/10/42/598301042.db2.gz PQWUTCRBAUZVIZ-LBPRGKRZSA-N -1 3 394.482 0.553 20 0 GCADHM O=C([C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1)N1CCCC1 ZINC000737792597 598301044 /nfs/dbraw/zinc/30/10/44/598301044.db2.gz PQWUTCRBAUZVIZ-LBPRGKRZSA-N -1 3 394.482 0.553 20 0 GCADHM Cn1ncc2c1nc(CCC(=O)NCc1ccc(-c3nnn[n-]3)cc1F)[nH]c2=O ZINC000737621567 598302000 /nfs/dbraw/zinc/30/20/00/598302000.db2.gz JENDHNWYHNYALB-UHFFFAOYSA-N -1 3 397.374 0.637 20 0 GCADHM Cn1ncc2c1nc(CCC(=O)NCc1ccc(-c3nn[n-]n3)cc1F)[nH]c2=O ZINC000737621567 598302002 /nfs/dbraw/zinc/30/20/02/598302002.db2.gz JENDHNWYHNYALB-UHFFFAOYSA-N -1 3 397.374 0.637 20 0 GCADHM O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737985792 598303924 /nfs/dbraw/zinc/30/39/24/598303924.db2.gz QCZCUJTXEMFRJE-UHFFFAOYSA-N -1 3 379.359 0.976 20 0 GCADHM O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737985792 598303926 /nfs/dbraw/zinc/30/39/26/598303926.db2.gz QCZCUJTXEMFRJE-UHFFFAOYSA-N -1 3 379.359 0.976 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000737287700 598305848 /nfs/dbraw/zinc/30/58/48/598305848.db2.gz GIYWRJHVAWKVJS-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1CCOC(C)(C)C1 ZINC000737287700 598305850 /nfs/dbraw/zinc/30/58/50/598305850.db2.gz GIYWRJHVAWKVJS-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM O=C(NCCN1C(=O)Cc2ccccc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738076579 598306262 /nfs/dbraw/zinc/30/62/62/598306262.db2.gz UIRLLCBYOGIUFQ-UHFFFAOYSA-N -1 3 391.391 0.511 20 0 GCADHM O=C(NCCN1C(=O)Cc2ccccc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738076579 598306264 /nfs/dbraw/zinc/30/62/64/598306264.db2.gz UIRLLCBYOGIUFQ-UHFFFAOYSA-N -1 3 391.391 0.511 20 0 GCADHM CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736414126 598307050 /nfs/dbraw/zinc/30/70/50/598307050.db2.gz VPYKRHOETWBOHN-CYBMUJFWSA-N -1 3 399.455 0.960 20 0 GCADHM CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736414126 598307051 /nfs/dbraw/zinc/30/70/51/598307051.db2.gz VPYKRHOETWBOHN-CYBMUJFWSA-N -1 3 399.455 0.960 20 0 GCADHM Cc1nn(-c2ccccc2)c(Cn2nc(C(N)=O)ccc2=O)c1-c1nnn[n-]1 ZINC000737504406 598308060 /nfs/dbraw/zinc/30/80/60/598308060.db2.gz WZNXYARGMKQUJG-UHFFFAOYSA-N -1 3 377.368 0.065 20 0 GCADHM CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736885101 598308813 /nfs/dbraw/zinc/30/88/13/598308813.db2.gz XCUGPIKUVCDQRP-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736885101 598308816 /nfs/dbraw/zinc/30/88/16/598308816.db2.gz XCUGPIKUVCDQRP-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737369379 598309289 /nfs/dbraw/zinc/30/92/89/598309289.db2.gz SHVTYWTXTXUWJD-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737369379 598309291 /nfs/dbraw/zinc/30/92/91/598309291.db2.gz SHVTYWTXTXUWJD-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cn1C ZINC000736879671 598311737 /nfs/dbraw/zinc/31/17/37/598311737.db2.gz YQZGWGGFJDYDER-UHFFFAOYSA-N -1 3 393.404 0.182 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cn1C ZINC000736879671 598311739 /nfs/dbraw/zinc/31/17/39/598311739.db2.gz YQZGWGGFJDYDER-UHFFFAOYSA-N -1 3 393.404 0.182 20 0 GCADHM NC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737760715 598312366 /nfs/dbraw/zinc/31/23/66/598312366.db2.gz KEYQZRWUZRTNPY-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737760715 598312367 /nfs/dbraw/zinc/31/23/67/598312367.db2.gz KEYQZRWUZRTNPY-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM COC(=O)CSCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736930468 598313669 /nfs/dbraw/zinc/31/36/69/598313669.db2.gz GQGXHIYYPHEWSB-UHFFFAOYSA-N -1 3 375.407 0.190 20 0 GCADHM COC(=O)CSCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736930468 598313671 /nfs/dbraw/zinc/31/36/71/598313671.db2.gz GQGXHIYYPHEWSB-UHFFFAOYSA-N -1 3 375.407 0.190 20 0 GCADHM CS(=O)(=O)NCCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737169292 598319012 /nfs/dbraw/zinc/31/90/12/598319012.db2.gz RQWLILHHIMDLJM-UHFFFAOYSA-N -1 3 389.894 0.746 20 0 GCADHM CS(=O)(=O)NCCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737169292 598319014 /nfs/dbraw/zinc/31/90/14/598319014.db2.gz RQWLILHHIMDLJM-UHFFFAOYSA-N -1 3 389.894 0.746 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735622821 598319846 /nfs/dbraw/zinc/31/98/46/598319846.db2.gz GBSQKIUENJMNRQ-UHFFFAOYSA-N -1 3 399.452 0.523 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735622821 598319848 /nfs/dbraw/zinc/31/98/48/598319848.db2.gz GBSQKIUENJMNRQ-UHFFFAOYSA-N -1 3 399.452 0.523 20 0 GCADHM O=C(Cc1csc(-c2nc[nH]n2)n1)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737978804 598321203 /nfs/dbraw/zinc/32/12/03/598321203.db2.gz ZZYGNRZNUZSOBE-UHFFFAOYSA-N -1 3 397.428 0.274 20 0 GCADHM O=C(Cc1csc(-c2nc[nH]n2)n1)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737978804 598321205 /nfs/dbraw/zinc/32/12/05/598321205.db2.gz ZZYGNRZNUZSOBE-UHFFFAOYSA-N -1 3 397.428 0.274 20 0 GCADHM O=C(CNC(=O)COc1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737890322 598322797 /nfs/dbraw/zinc/32/27/97/598322797.db2.gz YPDJFWGPQWYJMG-UHFFFAOYSA-N -1 3 384.371 0.817 20 0 GCADHM O=C(CNC(=O)COc1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737890322 598322799 /nfs/dbraw/zinc/32/27/99/598322799.db2.gz YPDJFWGPQWYJMG-UHFFFAOYSA-N -1 3 384.371 0.817 20 0 GCADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000371633724 598326500 /nfs/dbraw/zinc/32/65/00/598326500.db2.gz DPFVGRKZQQYIGX-NSHDSACASA-N -1 3 383.412 0.736 20 0 GCADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000371633724 598326502 /nfs/dbraw/zinc/32/65/02/598326502.db2.gz DPFVGRKZQQYIGX-NSHDSACASA-N -1 3 383.412 0.736 20 0 GCADHM COCCn1cc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000737015367 598330027 /nfs/dbraw/zinc/33/00/27/598330027.db2.gz BXVPYUCEMRTJIK-UHFFFAOYSA-N -1 3 388.363 0.104 20 0 GCADHM COCCn1cc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000737015367 598330029 /nfs/dbraw/zinc/33/00/29/598330029.db2.gz BXVPYUCEMRTJIK-UHFFFAOYSA-N -1 3 388.363 0.104 20 0 GCADHM CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000736781369 598330148 /nfs/dbraw/zinc/33/01/48/598330148.db2.gz YUVSRSOBXCMFRW-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000736781369 598330149 /nfs/dbraw/zinc/33/01/49/598330149.db2.gz YUVSRSOBXCMFRW-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM O=C(CCC1CCCC1)NCC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737823581 598331141 /nfs/dbraw/zinc/33/11/41/598331141.db2.gz JWDDJQZXLJCBKG-UHFFFAOYSA-N -1 3 386.460 0.876 20 0 GCADHM O=C(CCC1CCCC1)NCC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737823581 598331143 /nfs/dbraw/zinc/33/11/43/598331143.db2.gz JWDDJQZXLJCBKG-UHFFFAOYSA-N -1 3 386.460 0.876 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000738151477 598331137 /nfs/dbraw/zinc/33/11/37/598331137.db2.gz IURBAXQZXDIUSA-UHFFFAOYSA-N -1 3 383.412 0.419 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000738151477 598331139 /nfs/dbraw/zinc/33/11/39/598331139.db2.gz IURBAXQZXDIUSA-UHFFFAOYSA-N -1 3 383.412 0.419 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CN(C)CCO2)c1-c1nnn[n-]1 ZINC000737190195 598332036 /nfs/dbraw/zinc/33/20/36/598332036.db2.gz UFGMYHCEPRSTAQ-NSHDSACASA-N -1 3 389.485 0.921 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CN(C)CCO2)c1-c1nn[n-]n1 ZINC000737190195 598332038 /nfs/dbraw/zinc/33/20/38/598332038.db2.gz UFGMYHCEPRSTAQ-NSHDSACASA-N -1 3 389.485 0.921 20 0 GCADHM C[C@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112560 598332391 /nfs/dbraw/zinc/33/23/91/598332391.db2.gz JFEPOYMRUFTDAF-ZDUSSCGKSA-N -1 3 386.460 0.343 20 0 GCADHM C[C@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112560 598332393 /nfs/dbraw/zinc/33/23/93/598332393.db2.gz JFEPOYMRUFTDAF-ZDUSSCGKSA-N -1 3 386.460 0.343 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736509294 598332508 /nfs/dbraw/zinc/33/25/08/598332508.db2.gz DORVXZVLBYGQAD-ZDUSSCGKSA-N -1 3 376.442 0.625 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736509294 598332510 /nfs/dbraw/zinc/33/25/10/598332510.db2.gz DORVXZVLBYGQAD-ZDUSSCGKSA-N -1 3 376.442 0.625 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736510042 598332660 /nfs/dbraw/zinc/33/26/60/598332660.db2.gz OJBYERDZBAKMLZ-LBPRGKRZSA-N -1 3 376.442 0.625 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736510042 598332662 /nfs/dbraw/zinc/33/26/62/598332662.db2.gz OJBYERDZBAKMLZ-LBPRGKRZSA-N -1 3 376.442 0.625 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCc1ncc(Cl)n1C ZINC000737022948 598333228 /nfs/dbraw/zinc/33/32/28/598333228.db2.gz GFNUJOOMSLVUKC-UHFFFAOYSA-N -1 3 377.792 0.957 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCc1ncc(Cl)n1C ZINC000737022948 598333229 /nfs/dbraw/zinc/33/32/29/598333229.db2.gz GFNUJOOMSLVUKC-UHFFFAOYSA-N -1 3 377.792 0.957 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000736935204 598333466 /nfs/dbraw/zinc/33/34/66/598333466.db2.gz GLCHRGGRIPFHHO-LBPRGKRZSA-N -1 3 390.400 0.601 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000736935204 598333468 /nfs/dbraw/zinc/33/34/68/598333468.db2.gz GLCHRGGRIPFHHO-LBPRGKRZSA-N -1 3 390.400 0.601 20 0 GCADHM OC[C@H]1CCCN1c1cc(NCCNc2ccc(-c3nn[n-]n3)cn2)ncn1 ZINC000738394365 598333747 /nfs/dbraw/zinc/33/37/47/598333747.db2.gz QWZIEACYOUKUBP-CYBMUJFWSA-N -1 3 382.432 0.537 20 0 GCADHM CC[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000736408733 598334687 /nfs/dbraw/zinc/33/46/87/598334687.db2.gz UQMSPBWGRBWFAD-HNNXBMFYSA-N -1 3 385.428 0.699 20 0 GCADHM CC[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000736408733 598334689 /nfs/dbraw/zinc/33/46/89/598334689.db2.gz UQMSPBWGRBWFAD-HNNXBMFYSA-N -1 3 385.428 0.699 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)CN1CC(=O)N(C(C)C)C1=O ZINC000737001896 598335098 /nfs/dbraw/zinc/33/50/98/598335098.db2.gz FYDCNPHMCTZUBZ-UHFFFAOYSA-N -1 3 387.444 0.945 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)CN1CC(=O)N(C(C)C)C1=O ZINC000737001896 598335100 /nfs/dbraw/zinc/33/51/00/598335100.db2.gz FYDCNPHMCTZUBZ-UHFFFAOYSA-N -1 3 387.444 0.945 20 0 GCADHM COC1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736966535 598335190 /nfs/dbraw/zinc/33/51/90/598335190.db2.gz SUWCDVQOZLYOCC-UHFFFAOYSA-N -1 3 385.428 0.699 20 0 GCADHM O[C@H](COc1ccccc1)CN1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738389026 598340712 /nfs/dbraw/zinc/34/07/12/598340712.db2.gz VSQTXJFAXPDHLO-AWEZNQCLSA-N -1 3 382.428 0.219 20 0 GCADHM O[C@H](COc1ccccc1)CN1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738389026 598340714 /nfs/dbraw/zinc/34/07/14/598340714.db2.gz VSQTXJFAXPDHLO-AWEZNQCLSA-N -1 3 382.428 0.219 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737549243 598344613 /nfs/dbraw/zinc/34/46/13/598344613.db2.gz UCZUSDVZZOFOJP-WZRBSPASSA-N -1 3 391.476 0.790 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(C[C@H](C)O)[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737553419 598344628 /nfs/dbraw/zinc/34/46/28/598344628.db2.gz VQUOOHWMLVGLFG-QWRGUYRKSA-N -1 3 377.449 0.402 20 0 GCADHM CN1CCN(C[C@H]2CN(C(=O)c3sccc3-c3nnn[n-]3)CCO2)CC1 ZINC000736865110 598345211 /nfs/dbraw/zinc/34/52/11/598345211.db2.gz VEZVWXQZPVZQHF-LBPRGKRZSA-N -1 3 377.474 0.017 20 0 GCADHM CCc1nnc2n1CCN(C(=O)COc1ccc(-c3nnn[n-]3)cc1OC)C2 ZINC000736710220 598345263 /nfs/dbraw/zinc/34/52/63/598345263.db2.gz FZLWMHXFPVJSRZ-UHFFFAOYSA-N -1 3 384.400 0.450 20 0 GCADHM CCc1nnc2n1CCN(C(=O)COc1ccc(-c3nn[n-]n3)cc1OC)C2 ZINC000736710220 598345265 /nfs/dbraw/zinc/34/52/65/598345265.db2.gz FZLWMHXFPVJSRZ-UHFFFAOYSA-N -1 3 384.400 0.450 20 0 GCADHM C[C@H](O)CN1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736146647 598346614 /nfs/dbraw/zinc/34/66/14/598346614.db2.gz JQDGVVNLXPZRTP-ZDUSSCGKSA-N -1 3 376.486 0.625 20 0 GCADHM COC(=O)c1ccncc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821671196 607352521 /nfs/dbraw/zinc/35/25/21/607352521.db2.gz LWNASVHFDIGTLK-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)c1ccncc1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821671196 607352522 /nfs/dbraw/zinc/35/25/22/607352522.db2.gz LWNASVHFDIGTLK-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM NC(=O)c1ccccc1OCC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737759417 598350380 /nfs/dbraw/zinc/35/03/80/598350380.db2.gz AGZWKGCYNWXPGW-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM NC(=O)c1ccccc1OCC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737759417 598350382 /nfs/dbraw/zinc/35/03/82/598350382.db2.gz AGZWKGCYNWXPGW-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCn2cnnc2C1 ZINC000735571589 598351111 /nfs/dbraw/zinc/35/11/11/598351111.db2.gz ZIIQNBVHPTWGBD-SECBINFHSA-N -1 3 385.457 0.851 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCn2cnnc2C1 ZINC000735571589 598351113 /nfs/dbraw/zinc/35/11/13/598351113.db2.gz ZIIQNBVHPTWGBD-SECBINFHSA-N -1 3 385.457 0.851 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCO[C@H](Cn2cncn2)C1 ZINC000735563353 598352598 /nfs/dbraw/zinc/35/25/98/598352598.db2.gz TYDIVUKFEZJEFS-STQMWFEESA-N -1 3 383.416 0.186 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCO[C@H](Cn2cncn2)C1 ZINC000735563353 598352599 /nfs/dbraw/zinc/35/25/99/598352599.db2.gz TYDIVUKFEZJEFS-STQMWFEESA-N -1 3 383.416 0.186 20 0 GCADHM Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737441797 598353161 /nfs/dbraw/zinc/35/31/61/598353161.db2.gz CCCDLZCBZNVGHT-INIZCTEOSA-N -1 3 382.428 0.711 20 0 GCADHM Cc1cnn(C[C@@H]2CN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737441797 598353162 /nfs/dbraw/zinc/35/31/62/598353162.db2.gz CCCDLZCBZNVGHT-INIZCTEOSA-N -1 3 382.428 0.711 20 0 GCADHM O=C(CCNc1ccc(-c2nnn[n-]2)cn1)N1CCN(c2ncccn2)CC1 ZINC000737847258 598353848 /nfs/dbraw/zinc/35/38/48/598353848.db2.gz IZVBXTOLQBRXDC-UHFFFAOYSA-N -1 3 380.416 0.203 20 0 GCADHM O=C(CCNc1ccc(-c2nn[n-]n2)cn1)N1CCN(c2ncccn2)CC1 ZINC000737847258 598353852 /nfs/dbraw/zinc/35/38/52/598353852.db2.gz IZVBXTOLQBRXDC-UHFFFAOYSA-N -1 3 380.416 0.203 20 0 GCADHM O=C(CCN1CCO[C@@H](Cn2cccn2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737842454 598354006 /nfs/dbraw/zinc/35/40/06/598354006.db2.gz BWKXCJBCOMLARP-GFCCVEGCSA-N -1 3 388.457 0.854 20 0 GCADHM O=C(CCN1CCO[C@@H](Cn2cccn2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737842454 598354007 /nfs/dbraw/zinc/35/40/07/598354007.db2.gz BWKXCJBCOMLARP-GFCCVEGCSA-N -1 3 388.457 0.854 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@H]1C ZINC000736129221 598355799 /nfs/dbraw/zinc/35/57/99/598355799.db2.gz DPWGOXNMBUVXRV-VXGBXAGGSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@H]1C ZINC000736129221 598355801 /nfs/dbraw/zinc/35/58/01/598355801.db2.gz DPWGOXNMBUVXRV-VXGBXAGGSA-N -1 3 378.458 0.935 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737760803 598358201 /nfs/dbraw/zinc/35/82/01/598358201.db2.gz LMTCIGWGDKWGHU-UHFFFAOYSA-N -1 3 395.427 0.314 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737760803 598358203 /nfs/dbraw/zinc/35/82/03/598358203.db2.gz LMTCIGWGDKWGHU-UHFFFAOYSA-N -1 3 395.427 0.314 20 0 GCADHM O=C(CSc1nnnn1C1CCOCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737954304 598359297 /nfs/dbraw/zinc/35/92/97/598359297.db2.gz XOXVDNVAJONNFN-UHFFFAOYSA-N -1 3 387.429 0.936 20 0 GCADHM O=C(CSc1nnnn1C1CCOCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737954304 598359299 /nfs/dbraw/zinc/35/92/99/598359299.db2.gz XOXVDNVAJONNFN-UHFFFAOYSA-N -1 3 387.429 0.936 20 0 GCADHM O=C(CSc1nnnn1C1CCOCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737954047 598359388 /nfs/dbraw/zinc/35/93/88/598359388.db2.gz SIWHRWJCZWZFOZ-UHFFFAOYSA-N -1 3 387.429 0.936 20 0 GCADHM O=C(CSc1nnnn1C1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737954047 598359390 /nfs/dbraw/zinc/35/93/90/598359390.db2.gz SIWHRWJCZWZFOZ-UHFFFAOYSA-N -1 3 387.429 0.936 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000736171890 598361559 /nfs/dbraw/zinc/36/15/59/598361559.db2.gz ZJFBQCGXEXXPDA-CQSZACIVSA-N -1 3 396.455 0.712 20 0 GCADHM COc1cc2c(nn1)CCN([C@@H]1CCN(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000737056655 598364324 /nfs/dbraw/zinc/36/43/24/598364324.db2.gz XWKIQUWKDGLCJE-MRXNPFEDSA-N -1 3 392.423 0.829 20 0 GCADHM COc1cc2c(nn1)CCN([C@@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000737056655 598364326 /nfs/dbraw/zinc/36/43/26/598364326.db2.gz XWKIQUWKDGLCJE-MRXNPFEDSA-N -1 3 392.423 0.829 20 0 GCADHM Nc1cc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc(Cl)n1 ZINC000737773920 598367042 /nfs/dbraw/zinc/36/70/42/598367042.db2.gz NPFIHIVVLRYFNT-UHFFFAOYSA-N -1 3 385.819 0.855 20 0 GCADHM Nc1cc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc(Cl)n1 ZINC000737773920 598367043 /nfs/dbraw/zinc/36/70/43/598367043.db2.gz NPFIHIVVLRYFNT-UHFFFAOYSA-N -1 3 385.819 0.855 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737535495 598367477 /nfs/dbraw/zinc/36/74/77/598367477.db2.gz YOSNYMGSEMNADE-GFCCVEGCSA-N -1 3 397.443 0.875 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737535495 598367479 /nfs/dbraw/zinc/36/74/79/598367479.db2.gz YOSNYMGSEMNADE-GFCCVEGCSA-N -1 3 397.443 0.875 20 0 GCADHM O=C1NC2(CCCCC2)C(=O)N1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738317028 598369035 /nfs/dbraw/zinc/36/90/35/598369035.db2.gz YFROOHMQUOKHDO-CYBMUJFWSA-N -1 3 386.412 0.861 20 0 GCADHM Cn1cc(CN2CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CC2)cn1 ZINC000737602081 598369788 /nfs/dbraw/zinc/36/97/88/598369788.db2.gz MWYTUESOGWTEJM-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM Cn1cc(CN2CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000737602081 598369790 /nfs/dbraw/zinc/36/97/90/598369790.db2.gz MWYTUESOGWTEJM-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM O=C1CCC(=O)N1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738301287 598370467 /nfs/dbraw/zinc/37/04/67/598370467.db2.gz MLNNMIFAFGJSRZ-UHFFFAOYSA-N -1 3 398.832 0.338 20 0 GCADHM O=C1CCC(=O)N1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738301287 598370469 /nfs/dbraw/zinc/37/04/69/598370469.db2.gz MLNNMIFAFGJSRZ-UHFFFAOYSA-N -1 3 398.832 0.338 20 0 GCADHM O=C(Cc1ccc(O)cc1)NCC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737958816 598371913 /nfs/dbraw/zinc/37/19/13/598371913.db2.gz IHSQYRCTYPJKBJ-UHFFFAOYSA-N -1 3 397.391 0.853 20 0 GCADHM O=C(Cc1ccc(O)cc1)NCC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737958816 598371915 /nfs/dbraw/zinc/37/19/15/598371915.db2.gz IHSQYRCTYPJKBJ-UHFFFAOYSA-N -1 3 397.391 0.853 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736094864 598371919 /nfs/dbraw/zinc/37/19/19/598371919.db2.gz ABEUMUVGFPPJOS-VIFPVBQESA-N -1 3 397.370 0.921 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736094864 598371921 /nfs/dbraw/zinc/37/19/21/598371921.db2.gz ABEUMUVGFPPJOS-VIFPVBQESA-N -1 3 397.370 0.921 20 0 GCADHM NC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737761473 598373426 /nfs/dbraw/zinc/37/34/26/598373426.db2.gz YEXXCHZUBGSFGN-UHFFFAOYSA-N -1 3 383.343 0.360 20 0 GCADHM NC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737761473 598373427 /nfs/dbraw/zinc/37/34/27/598373427.db2.gz YEXXCHZUBGSFGN-UHFFFAOYSA-N -1 3 383.343 0.360 20 0 GCADHM CC(C)(O)CN1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735678262 598376764 /nfs/dbraw/zinc/37/67/64/598376764.db2.gz MVDYAJUPHAALLQ-UHFFFAOYSA-N -1 3 376.486 0.874 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736610233 598377481 /nfs/dbraw/zinc/37/74/81/598377481.db2.gz VIFZYGMTPWXDSO-PTZVLDCSSA-N -1 3 386.456 0.422 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736610233 598377483 /nfs/dbraw/zinc/37/74/83/598377483.db2.gz VIFZYGMTPWXDSO-PTZVLDCSSA-N -1 3 386.456 0.422 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737766645 598377496 /nfs/dbraw/zinc/37/74/96/598377496.db2.gz SZIBYFFYLRYVRG-CMDGGOBGSA-N -1 3 398.448 0.985 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737766645 598377498 /nfs/dbraw/zinc/37/74/98/598377498.db2.gz SZIBYFFYLRYVRG-CMDGGOBGSA-N -1 3 398.448 0.985 20 0 GCADHM CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccncc2-c2nnn[n-]2)c1 ZINC000737023000 598380012 /nfs/dbraw/zinc/38/00/12/598380012.db2.gz GCNZTOVJCVHSSX-UHFFFAOYSA-N -1 3 389.397 0.118 20 0 GCADHM CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccncc2-c2nn[n-]n2)c1 ZINC000737023000 598380014 /nfs/dbraw/zinc/38/00/14/598380014.db2.gz GCNZTOVJCVHSSX-UHFFFAOYSA-N -1 3 389.397 0.118 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000738197997 598381144 /nfs/dbraw/zinc/38/11/44/598381144.db2.gz UNBKMWKPHVDCAE-SECBINFHSA-N -1 3 385.334 0.953 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000738197997 598381146 /nfs/dbraw/zinc/38/11/46/598381146.db2.gz UNBKMWKPHVDCAE-SECBINFHSA-N -1 3 385.334 0.953 20 0 GCADHM CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccncc2-c2nnn[n-]2)CC1 ZINC000736464123 598381183 /nfs/dbraw/zinc/38/11/83/598381183.db2.gz VCJONBXHROPYMJ-UHFFFAOYSA-N -1 3 393.473 0.464 20 0 GCADHM CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccncc2-c2nn[n-]n2)CC1 ZINC000736464123 598381185 /nfs/dbraw/zinc/38/11/85/598381185.db2.gz VCJONBXHROPYMJ-UHFFFAOYSA-N -1 3 393.473 0.464 20 0 GCADHM NS(=O)(=O)Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737764164 598381723 /nfs/dbraw/zinc/38/17/23/598381723.db2.gz FMWSBZOUUQGFSV-UHFFFAOYSA-N -1 3 387.425 0.706 20 0 GCADHM Cc1ccc(CN2C[C@@H](C(=O)Nc3ccncc3-c3nnn[n-]3)CC2=O)cc1 ZINC000737343275 598382153 /nfs/dbraw/zinc/38/21/53/598382153.db2.gz YNLLIGDTBMWKPP-AWEZNQCLSA-N -1 3 377.408 0.979 20 0 GCADHM Cc1ccc(CN2C[C@@H](C(=O)Nc3ccncc3-c3nn[n-]n3)CC2=O)cc1 ZINC000737343275 598382155 /nfs/dbraw/zinc/38/21/55/598382155.db2.gz YNLLIGDTBMWKPP-AWEZNQCLSA-N -1 3 377.408 0.979 20 0 GCADHM Cn1ccnc1CN1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000737615868 598383607 /nfs/dbraw/zinc/38/36/07/598383607.db2.gz NDLOJKMNFYTFKM-UHFFFAOYSA-N -1 3 387.473 0.418 20 0 GCADHM Cn1ccnc1CN1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000737615868 598383609 /nfs/dbraw/zinc/38/36/09/598383609.db2.gz NDLOJKMNFYTFKM-UHFFFAOYSA-N -1 3 387.473 0.418 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738317434 598383739 /nfs/dbraw/zinc/38/37/39/598383739.db2.gz KIIXUMFOLSJYPU-OAHLLOKOSA-N -1 3 392.485 0.351 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738317434 598383741 /nfs/dbraw/zinc/38/37/41/598383741.db2.gz KIIXUMFOLSJYPU-OAHLLOKOSA-N -1 3 392.485 0.351 20 0 GCADHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737488396 598384538 /nfs/dbraw/zinc/38/45/38/598384538.db2.gz UJMYQVNDDGCILZ-UHFFFAOYSA-N -1 3 392.423 0.917 20 0 GCADHM Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737488396 598384540 /nfs/dbraw/zinc/38/45/40/598384540.db2.gz UJMYQVNDDGCILZ-UHFFFAOYSA-N -1 3 392.423 0.917 20 0 GCADHM C[C@@H]1C(=O)NCCN1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736228653 598391039 /nfs/dbraw/zinc/39/10/39/598391039.db2.gz IHMDZGDXGBZRHX-LLVKDONJSA-N -1 3 375.458 0.630 20 0 GCADHM C[C@@H]1C(=O)NCCN1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736228653 598391041 /nfs/dbraw/zinc/39/10/41/598391041.db2.gz IHMDZGDXGBZRHX-LLVKDONJSA-N -1 3 375.458 0.630 20 0 GCADHM O=C(NCCCN1CCCCC1=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000738065892 598391472 /nfs/dbraw/zinc/39/14/72/598391472.db2.gz MIJPTWBKJPDUOA-UHFFFAOYSA-N -1 3 387.448 0.375 20 0 GCADHM O=C(NCCCN1CCCCC1=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000738065892 598391473 /nfs/dbraw/zinc/39/14/73/598391473.db2.gz MIJPTWBKJPDUOA-UHFFFAOYSA-N -1 3 387.448 0.375 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccc2c(c1)OCCO2 ZINC000737888488 598398576 /nfs/dbraw/zinc/39/85/76/598398576.db2.gz DBQCWUYUWADACH-UHFFFAOYSA-N -1 3 394.391 0.684 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccc2c(c1)OCCO2 ZINC000737888488 598398578 /nfs/dbraw/zinc/39/85/78/598398578.db2.gz DBQCWUYUWADACH-UHFFFAOYSA-N -1 3 394.391 0.684 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000737890124 598400311 /nfs/dbraw/zinc/40/03/11/598400311.db2.gz SXKMKAKTRDOKFQ-OAHLLOKOSA-N -1 3 393.407 0.891 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000737890124 598400314 /nfs/dbraw/zinc/40/03/14/598400314.db2.gz SXKMKAKTRDOKFQ-OAHLLOKOSA-N -1 3 393.407 0.891 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(OC)c1 ZINC000737092880 598401522 /nfs/dbraw/zinc/40/15/22/598401522.db2.gz QDHKWKUVNFQPCA-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(OC)c1 ZINC000737092880 598401523 /nfs/dbraw/zinc/40/15/23/598401523.db2.gz QDHKWKUVNFQPCA-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM COCCOc1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737013628 598401685 /nfs/dbraw/zinc/40/16/85/598401685.db2.gz BSSIAOFXEOISPM-UHFFFAOYSA-N -1 3 397.395 0.655 20 0 GCADHM COCCOc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737013628 598401686 /nfs/dbraw/zinc/40/16/86/598401686.db2.gz BSSIAOFXEOISPM-UHFFFAOYSA-N -1 3 397.395 0.655 20 0 GCADHM COc1ccccc1[C@@H](O)CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737147747 598401716 /nfs/dbraw/zinc/40/17/16/598401716.db2.gz NZKZOENDALHFAV-HNNXBMFYSA-N -1 3 396.407 0.455 20 0 GCADHM COc1ccccc1[C@@H](O)CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737147747 598401718 /nfs/dbraw/zinc/40/17/18/598401718.db2.gz NZKZOENDALHFAV-HNNXBMFYSA-N -1 3 396.407 0.455 20 0 GCADHM Cc1nn(C)c(C)c1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737509726 598402246 /nfs/dbraw/zinc/40/22/46/598402246.db2.gz IQMAPQXHXDWXGZ-UHFFFAOYSA-N -1 3 382.428 0.306 20 0 GCADHM Cc1nn(C)c(C)c1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737509726 598402247 /nfs/dbraw/zinc/40/22/47/598402247.db2.gz IQMAPQXHXDWXGZ-UHFFFAOYSA-N -1 3 382.428 0.306 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000737546248 598402280 /nfs/dbraw/zinc/40/22/80/598402280.db2.gz BWPSLHMAYHVZOI-ZDUSSCGKSA-N -1 3 398.471 0.925 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCNc1ncccn1 ZINC000737889084 598403237 /nfs/dbraw/zinc/40/32/37/598403237.db2.gz JCEVDWMFLOIPFA-UHFFFAOYSA-N -1 3 381.400 0.005 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCNc1ncccn1 ZINC000737889084 598403238 /nfs/dbraw/zinc/40/32/38/598403238.db2.gz JCEVDWMFLOIPFA-UHFFFAOYSA-N -1 3 381.400 0.005 20 0 GCADHM O=C(CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccccn1 ZINC000737889096 598403257 /nfs/dbraw/zinc/40/32/57/598403257.db2.gz JMXZSWINPGAIMD-UHFFFAOYSA-N -1 3 394.395 0.137 20 0 GCADHM O=C(CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccccn1 ZINC000737889096 598403258 /nfs/dbraw/zinc/40/32/58/598403258.db2.gz JMXZSWINPGAIMD-UHFFFAOYSA-N -1 3 394.395 0.137 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000737889666 598403781 /nfs/dbraw/zinc/40/37/81/598403781.db2.gz OPKBOQQSNKMUER-UHFFFAOYSA-N -1 3 393.363 0.566 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000737889666 598403783 /nfs/dbraw/zinc/40/37/83/598403783.db2.gz OPKBOQQSNKMUER-UHFFFAOYSA-N -1 3 393.363 0.566 20 0 GCADHM CC(C)c1nccn1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735944203 598405674 /nfs/dbraw/zinc/40/56/74/598405674.db2.gz ZBNPRVVOSVQMIJ-UHFFFAOYSA-N -1 3 382.428 0.733 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@H]1C ZINC000736104608 598405920 /nfs/dbraw/zinc/40/59/20/598405920.db2.gz HIMMFEGLMFANFI-CHWSQXEVSA-N -1 3 399.455 0.502 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1C ZINC000736104608 598405921 /nfs/dbraw/zinc/40/59/21/598405921.db2.gz HIMMFEGLMFANFI-CHWSQXEVSA-N -1 3 399.455 0.502 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736480252 598406061 /nfs/dbraw/zinc/40/60/61/598406061.db2.gz IYOBKGHXGMTQAB-OAHLLOKOSA-N -1 3 399.455 0.361 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736480252 598406063 /nfs/dbraw/zinc/40/60/63/598406063.db2.gz IYOBKGHXGMTQAB-OAHLLOKOSA-N -1 3 399.455 0.361 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC1CCN(CC(F)F)CC1 ZINC000737888299 598406818 /nfs/dbraw/zinc/40/68/18/598406818.db2.gz AARBNFMEKNMVAK-UHFFFAOYSA-N -1 3 393.398 0.442 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC1CCN(CC(F)F)CC1 ZINC000737888299 598406820 /nfs/dbraw/zinc/40/68/20/598406820.db2.gz AARBNFMEKNMVAK-UHFFFAOYSA-N -1 3 393.398 0.442 20 0 GCADHM NC(=O)c1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000737756582 598408698 /nfs/dbraw/zinc/40/86/98/598408698.db2.gz XGOZUWBYJKAVNH-UHFFFAOYSA-N -1 3 383.343 0.473 20 0 GCADHM NC(=O)c1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000737756582 598408702 /nfs/dbraw/zinc/40/87/02/598408702.db2.gz XGOZUWBYJKAVNH-UHFFFAOYSA-N -1 3 383.343 0.473 20 0 GCADHM NC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737758630 598408803 /nfs/dbraw/zinc/40/88/03/598408803.db2.gz ARGYXYLMVULLEA-UHFFFAOYSA-N -1 3 399.798 0.988 20 0 GCADHM NC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737758630 598408805 /nfs/dbraw/zinc/40/88/05/598408805.db2.gz ARGYXYLMVULLEA-UHFFFAOYSA-N -1 3 399.798 0.988 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735467607 598409194 /nfs/dbraw/zinc/40/91/94/598409194.db2.gz RYHGBZVIWJUFBR-TVQRCGJNSA-N -1 3 390.425 0.658 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735467607 598409196 /nfs/dbraw/zinc/40/91/96/598409196.db2.gz RYHGBZVIWJUFBR-TVQRCGJNSA-N -1 3 390.425 0.658 20 0 GCADHM CC(C)(C)CCNC(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735602411 598409284 /nfs/dbraw/zinc/40/92/84/598409284.db2.gz PMVRWPIRLXGELC-UHFFFAOYSA-N -1 3 388.428 0.692 20 0 GCADHM CC(C)(C)CCNC(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735602411 598409286 /nfs/dbraw/zinc/40/92/86/598409286.db2.gz PMVRWPIRLXGELC-UHFFFAOYSA-N -1 3 388.428 0.692 20 0 GCADHM CC(C)CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735811232 598409322 /nfs/dbraw/zinc/40/93/22/598409322.db2.gz FOFYPPRFEIYJBU-GFCCVEGCSA-N -1 3 388.428 0.691 20 0 GCADHM CC(C)CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735811232 598409323 /nfs/dbraw/zinc/40/93/23/598409323.db2.gz FOFYPPRFEIYJBU-GFCCVEGCSA-N -1 3 388.428 0.691 20 0 GCADHM CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736423813 598409886 /nfs/dbraw/zinc/40/98/86/598409886.db2.gz OIUKXVUFXUWKLN-VXGBXAGGSA-N -1 3 388.428 0.833 20 0 GCADHM CCC[C@@H](C)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736423813 598409888 /nfs/dbraw/zinc/40/98/88/598409888.db2.gz OIUKXVUFXUWKLN-VXGBXAGGSA-N -1 3 388.428 0.833 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736304835 598409998 /nfs/dbraw/zinc/40/99/98/598409998.db2.gz RACQSNATQZWSTJ-VIFPVBQESA-N -1 3 396.454 0.721 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736304835 598410000 /nfs/dbraw/zinc/41/00/00/598410000.db2.gz RACQSNATQZWSTJ-VIFPVBQESA-N -1 3 396.454 0.721 20 0 GCADHM CN(C(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736737650 598411120 /nfs/dbraw/zinc/41/11/20/598411120.db2.gz SPANKPZCPKQKTM-UHFFFAOYSA-N -1 3 394.391 0.803 20 0 GCADHM CN(C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736737650 598411122 /nfs/dbraw/zinc/41/11/22/598411122.db2.gz SPANKPZCPKQKTM-UHFFFAOYSA-N -1 3 394.391 0.803 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1cn2c(n1)CCCC2 ZINC000737291020 598413277 /nfs/dbraw/zinc/41/32/77/598413277.db2.gz ZUSCHUHDVFDFPW-UHFFFAOYSA-N -1 3 380.412 0.963 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1cn2c(n1)CCCC2 ZINC000737291020 598413278 /nfs/dbraw/zinc/41/32/78/598413278.db2.gz ZUSCHUHDVFDFPW-UHFFFAOYSA-N -1 3 380.412 0.963 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000738111076 598413340 /nfs/dbraw/zinc/41/33/40/598413340.db2.gz GKFLDUUALQKHJP-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000738111076 598413341 /nfs/dbraw/zinc/41/33/41/598413341.db2.gz GKFLDUUALQKHJP-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM O=C(NCCCN1CCCCC1=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738065932 598413882 /nfs/dbraw/zinc/41/38/82/598413882.db2.gz ODSSKLFXYRDFAR-UHFFFAOYSA-N -1 3 389.391 0.463 20 0 GCADHM O=C(NCCCN1CCCCC1=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738065932 598413883 /nfs/dbraw/zinc/41/38/83/598413883.db2.gz ODSSKLFXYRDFAR-UHFFFAOYSA-N -1 3 389.391 0.463 20 0 GCADHM CCN(C(=S)NCCNS(C)(=O)=O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509319 598416963 /nfs/dbraw/zinc/41/69/63/598416963.db2.gz URUBJTVMRNHTRL-LLVKDONJSA-N -1 3 397.530 0.673 20 0 GCADHM CCN(C(=S)NCCNS(C)(=O)=O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509319 598416965 /nfs/dbraw/zinc/41/69/65/598416965.db2.gz URUBJTVMRNHTRL-LLVKDONJSA-N -1 3 397.530 0.673 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1c[nH]nc1-c1cccnc1 ZINC000738083274 598416994 /nfs/dbraw/zinc/41/69/94/598416994.db2.gz SZQXQQUJSWFZDJ-UHFFFAOYSA-N -1 3 376.384 0.889 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1c[nH]nc1-c1cccnc1 ZINC000738083274 598416996 /nfs/dbraw/zinc/41/69/96/598416996.db2.gz SZQXQQUJSWFZDJ-UHFFFAOYSA-N -1 3 376.384 0.889 20 0 GCADHM NC(=O)COc1ccc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737754372 598420105 /nfs/dbraw/zinc/42/01/05/598420105.db2.gz SRMISDRDTXQNEM-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM NC(=O)COc1ccc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737754372 598420107 /nfs/dbraw/zinc/42/01/07/598420107.db2.gz SRMISDRDTXQNEM-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM O=S(=O)(CCNc1ncc(-c2nnn[n-]2)cc1Cl)N1CCSCC1 ZINC000738331648 598426855 /nfs/dbraw/zinc/42/68/55/598426855.db2.gz UZOYDECEWKKDHP-UHFFFAOYSA-N -1 3 389.894 0.706 20 0 GCADHM O=S(=O)(CCNc1ncc(-c2nn[n-]n2)cc1Cl)N1CCSCC1 ZINC000738331648 598426857 /nfs/dbraw/zinc/42/68/57/598426857.db2.gz UZOYDECEWKKDHP-UHFFFAOYSA-N -1 3 389.894 0.706 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)C[C@H]2CN(C)CCO2)c(-c2nnn[n-]2)c1C ZINC000737547274 598427246 /nfs/dbraw/zinc/42/72/46/598427246.db2.gz JPPTVZWKVIRSFB-WCQYABFASA-N -1 3 377.449 0.666 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)C[C@H]2CN(C)CCO2)c(-c2nn[n-]n2)c1C ZINC000737547274 598427248 /nfs/dbraw/zinc/42/72/48/598427248.db2.gz JPPTVZWKVIRSFB-WCQYABFASA-N -1 3 377.449 0.666 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN(C[C@@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000737548351 598427668 /nfs/dbraw/zinc/42/76/68/598427668.db2.gz OTEAPCKTJLNFNJ-ZYHUDNBSSA-N -1 3 377.449 0.402 20 0 GCADHM O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738345883 598429460 /nfs/dbraw/zinc/42/94/60/598429460.db2.gz QICVBPLJKFVWLN-UHFFFAOYSA-N -1 3 383.397 0.321 20 0 GCADHM O=S(=O)(NCc1nnnn1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738345883 598429461 /nfs/dbraw/zinc/42/94/61/598429461.db2.gz QICVBPLJKFVWLN-UHFFFAOYSA-N -1 3 383.397 0.321 20 0 GCADHM CCNC(=S)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736577285 598431093 /nfs/dbraw/zinc/43/10/93/598431093.db2.gz FJZWFKJIUBNLHF-UHFFFAOYSA-N -1 3 381.487 0.067 20 0 GCADHM CCNC(=S)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736577285 598431095 /nfs/dbraw/zinc/43/10/95/598431095.db2.gz FJZWFKJIUBNLHF-UHFFFAOYSA-N -1 3 381.487 0.067 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCCNS(C)(=O)=O ZINC000737033772 598431150 /nfs/dbraw/zinc/43/11/50/598431150.db2.gz SZTFKSKQSLEEDH-UHFFFAOYSA-N -1 3 399.429 0.127 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCCNS(C)(=O)=O ZINC000737033772 598431151 /nfs/dbraw/zinc/43/11/51/598431151.db2.gz SZTFKSKQSLEEDH-UHFFFAOYSA-N -1 3 399.429 0.127 20 0 GCADHM Cc1noc(CNC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000737547507 598432062 /nfs/dbraw/zinc/43/20/62/598432062.db2.gz VVQKXOHJDITWKN-UHFFFAOYSA-N -1 3 383.416 0.980 20 0 GCADHM Cc1noc(CNC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000737547507 598432064 /nfs/dbraw/zinc/43/20/64/598432064.db2.gz VVQKXOHJDITWKN-UHFFFAOYSA-N -1 3 383.416 0.980 20 0 GCADHM C[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)c1nncn1C ZINC000736118936 598433862 /nfs/dbraw/zinc/43/38/62/598433862.db2.gz LNACLNZKSZQBIP-VIFPVBQESA-N -1 3 379.388 0.254 20 0 GCADHM C[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)c1nncn1C ZINC000736118936 598433864 /nfs/dbraw/zinc/43/38/64/598433864.db2.gz LNACLNZKSZQBIP-VIFPVBQESA-N -1 3 379.388 0.254 20 0 GCADHM C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736094977 598434041 /nfs/dbraw/zinc/43/40/41/598434041.db2.gz BXQCIMYBUSPWKQ-NSHDSACASA-N -1 3 378.400 0.650 20 0 GCADHM C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736094977 598434044 /nfs/dbraw/zinc/43/40/44/598434044.db2.gz BXQCIMYBUSPWKQ-NSHDSACASA-N -1 3 378.400 0.650 20 0 GCADHM COC(=O)[C@@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(C)C ZINC000736895403 598434279 /nfs/dbraw/zinc/43/42/79/598434279.db2.gz IQLNLFUSJJVSQU-ZDUSSCGKSA-N -1 3 384.400 0.562 20 0 GCADHM COC(=O)[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(C)C ZINC000736895403 598434280 /nfs/dbraw/zinc/43/42/80/598434280.db2.gz IQLNLFUSJJVSQU-ZDUSSCGKSA-N -1 3 384.400 0.562 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CCc3nccn3C2)cc1 ZINC000737776718 598437148 /nfs/dbraw/zinc/43/71/48/598437148.db2.gz QINKMGZPZUUUQM-GFCCVEGCSA-N -1 3 390.411 0.576 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CCc3nccn3C2)cc1 ZINC000737776718 598437150 /nfs/dbraw/zinc/43/71/50/598437150.db2.gz QINKMGZPZUUUQM-GFCCVEGCSA-N -1 3 390.411 0.576 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736770295 598439656 /nfs/dbraw/zinc/43/96/56/598439656.db2.gz IBMHHKGHRPIVMP-UHFFFAOYSA-N -1 3 399.436 0.715 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736770295 598439657 /nfs/dbraw/zinc/43/96/57/598439657.db2.gz IBMHHKGHRPIVMP-UHFFFAOYSA-N -1 3 399.436 0.715 20 0 GCADHM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nnn[n-]3)cn2)N2CCOCC2)o1 ZINC000737321357 598440501 /nfs/dbraw/zinc/44/05/01/598440501.db2.gz UQOVZBPSHYAWTG-HNNXBMFYSA-N -1 3 383.412 0.966 20 0 GCADHM Cc1ccc([C@H](CNC(=O)c2ccc(-c3nn[n-]n3)cn2)N2CCOCC2)o1 ZINC000737321357 598440503 /nfs/dbraw/zinc/44/05/03/598440503.db2.gz UQOVZBPSHYAWTG-HNNXBMFYSA-N -1 3 383.412 0.966 20 0 GCADHM O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738175476 598441488 /nfs/dbraw/zinc/44/14/88/598441488.db2.gz NQLCNWLOQIPLMJ-UHFFFAOYSA-N -1 3 385.409 0.955 20 0 GCADHM O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738175476 598441489 /nfs/dbraw/zinc/44/14/89/598441489.db2.gz NQLCNWLOQIPLMJ-UHFFFAOYSA-N -1 3 385.409 0.955 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736905749 598443905 /nfs/dbraw/zinc/44/39/05/598443905.db2.gz CLDKVBPKBTZPRP-CABCVRRESA-N -1 3 398.423 0.853 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736905749 598443906 /nfs/dbraw/zinc/44/39/06/598443906.db2.gz CLDKVBPKBTZPRP-CABCVRRESA-N -1 3 398.423 0.853 20 0 GCADHM Cn1ncc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1C(F)F ZINC000737621416 598444813 /nfs/dbraw/zinc/44/48/13/598444813.db2.gz GMHTVQDDPZMLRF-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM Cn1ncc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1C(F)F ZINC000737621416 598444815 /nfs/dbraw/zinc/44/48/15/598444815.db2.gz GMHTVQDDPZMLRF-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738103686 598444874 /nfs/dbraw/zinc/44/48/74/598444874.db2.gz OKQGAXASBMRUMT-UHFFFAOYSA-N -1 3 393.407 0.664 20 0 GCADHM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738103686 598444876 /nfs/dbraw/zinc/44/48/76/598444876.db2.gz OKQGAXASBMRUMT-UHFFFAOYSA-N -1 3 393.407 0.664 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736806905 598447270 /nfs/dbraw/zinc/44/72/70/598447270.db2.gz RDLYSBJRRJBPSL-UHFFFAOYSA-N -1 3 395.423 0.458 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736806905 598447272 /nfs/dbraw/zinc/44/72/72/598447272.db2.gz RDLYSBJRRJBPSL-UHFFFAOYSA-N -1 3 395.423 0.458 20 0 GCADHM CC(=O)N1CCC[C@H]1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735464478 598448162 /nfs/dbraw/zinc/44/81/62/598448162.db2.gz BAWWVYOTSDNOQD-HNNXBMFYSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@H]1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735464478 598448165 /nfs/dbraw/zinc/44/81/65/598448165.db2.gz BAWWVYOTSDNOQD-HNNXBMFYSA-N -1 3 384.444 0.358 20 0 GCADHM Cn1cc(C=CC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737605815 598449058 /nfs/dbraw/zinc/44/90/58/598449058.db2.gz WAIUHHIMQNAYBZ-GORDUTHDSA-N -1 3 379.428 0.794 20 0 GCADHM Cn1cc(C=CC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737605815 598449059 /nfs/dbraw/zinc/44/90/59/598449059.db2.gz WAIUHHIMQNAYBZ-GORDUTHDSA-N -1 3 379.428 0.794 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000738031222 598449572 /nfs/dbraw/zinc/44/95/72/598449572.db2.gz ASHOIYKASITLCS-ZDUSSCGKSA-N -1 3 396.455 0.358 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000738031222 598449574 /nfs/dbraw/zinc/44/95/74/598449574.db2.gz ASHOIYKASITLCS-ZDUSSCGKSA-N -1 3 396.455 0.358 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC000735474317 598449836 /nfs/dbraw/zinc/44/98/36/598449836.db2.gz IWMOQBPXPJRQRW-MRXNPFEDSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC000735474317 598449837 /nfs/dbraw/zinc/44/98/37/598449837.db2.gz IWMOQBPXPJRQRW-MRXNPFEDSA-N -1 3 386.460 0.507 20 0 GCADHM COC(=O)NCCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736937191 598451508 /nfs/dbraw/zinc/45/15/08/598451508.db2.gz LGQPADICRXCKJM-UHFFFAOYSA-N -1 3 391.407 0.791 20 0 GCADHM CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c2ccccc2O1 ZINC000736871412 598451951 /nfs/dbraw/zinc/45/19/51/598451951.db2.gz SRPWDZCQMWDJQW-MRXNPFEDSA-N -1 3 393.407 0.819 20 0 GCADHM CNC(=O)[C@H]1CN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c2ccccc2O1 ZINC000736871412 598451953 /nfs/dbraw/zinc/45/19/53/598451953.db2.gz SRPWDZCQMWDJQW-MRXNPFEDSA-N -1 3 393.407 0.819 20 0 GCADHM Cc1noc(CCCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000737534798 598455301 /nfs/dbraw/zinc/45/53/01/598455301.db2.gz MOMYCSZVZNFCCJ-UHFFFAOYSA-N -1 3 394.399 0.689 20 0 GCADHM Cc1noc(CCCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000737534798 598455303 /nfs/dbraw/zinc/45/53/03/598455303.db2.gz MOMYCSZVZNFCCJ-UHFFFAOYSA-N -1 3 394.399 0.689 20 0 GCADHM NC(=O)c1cccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737761170 598456464 /nfs/dbraw/zinc/45/64/64/598456464.db2.gz QQVWCSKKQIEHAR-UHFFFAOYSA-N -1 3 392.423 0.759 20 0 GCADHM NC(=O)c1cccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737761170 598456466 /nfs/dbraw/zinc/45/64/66/598456466.db2.gz QQVWCSKKQIEHAR-UHFFFAOYSA-N -1 3 392.423 0.759 20 0 GCADHM COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737113987 598457476 /nfs/dbraw/zinc/45/74/76/598457476.db2.gz AJKNZLGUJNKOEG-UHFFFAOYSA-N -1 3 375.370 0.170 20 0 GCADHM COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737113987 598457478 /nfs/dbraw/zinc/45/74/78/598457478.db2.gz AJKNZLGUJNKOEG-UHFFFAOYSA-N -1 3 375.370 0.170 20 0 GCADHM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738074886 598459617 /nfs/dbraw/zinc/45/96/17/598459617.db2.gz LHXPWCCSIODVSW-UHFFFAOYSA-N -1 3 396.430 0.953 20 0 GCADHM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738074886 598459619 /nfs/dbraw/zinc/45/96/19/598459619.db2.gz LHXPWCCSIODVSW-UHFFFAOYSA-N -1 3 396.430 0.953 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000738261798 598461782 /nfs/dbraw/zinc/46/17/82/598461782.db2.gz UIARSPYHLCUXTJ-UHFFFAOYSA-N -1 3 399.377 0.989 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000738261798 598461783 /nfs/dbraw/zinc/46/17/83/598461783.db2.gz UIARSPYHLCUXTJ-UHFFFAOYSA-N -1 3 399.377 0.989 20 0 GCADHM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1ccc(-c3nnn[n-]3)cn1)C2 ZINC000737173858 598462143 /nfs/dbraw/zinc/46/21/43/598462143.db2.gz ONSPJYZXFRRWBN-UHFFFAOYSA-N -1 3 399.436 0.832 20 0 GCADHM CS(=O)(=O)Nc1cccc2c1CCN(C(=O)c1ccc(-c3nn[n-]n3)cn1)C2 ZINC000737173858 598462145 /nfs/dbraw/zinc/46/21/45/598462145.db2.gz ONSPJYZXFRRWBN-UHFFFAOYSA-N -1 3 399.436 0.832 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cn1)N1CCN(c2ccccc2)CC1 ZINC000738038445 598463020 /nfs/dbraw/zinc/46/30/20/598463020.db2.gz IUJVUCBRHHKWRG-UHFFFAOYSA-N -1 3 392.423 0.340 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cn1)N1CCN(c2ccccc2)CC1 ZINC000738038445 598463022 /nfs/dbraw/zinc/46/30/22/598463022.db2.gz IUJVUCBRHHKWRG-UHFFFAOYSA-N -1 3 392.423 0.340 20 0 GCADHM CC(C)N(C)S(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735859099 598463502 /nfs/dbraw/zinc/46/35/02/598463502.db2.gz PGZLPRBPHYDERH-UHFFFAOYSA-N -1 3 380.478 0.405 20 0 GCADHM CC(C)N(C)S(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735859099 598463504 /nfs/dbraw/zinc/46/35/04/598463504.db2.gz PGZLPRBPHYDERH-UHFFFAOYSA-N -1 3 380.478 0.405 20 0 GCADHM COCc1cccc(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737022096 598464720 /nfs/dbraw/zinc/46/47/20/598464720.db2.gz KRARKKQIFSGKLB-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM COCc1cccc(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737022096 598464722 /nfs/dbraw/zinc/46/47/22/598464722.db2.gz KRARKKQIFSGKLB-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM CCn1cc(CN2CCCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000736721749 598464898 /nfs/dbraw/zinc/46/48/98/598464898.db2.gz KEZYOTHJWWAYHV-UHFFFAOYSA-N -1 3 381.444 0.826 20 0 GCADHM CCn1cc(CN2CCCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000736721749 598464900 /nfs/dbraw/zinc/46/49/00/598464900.db2.gz KEZYOTHJWWAYHV-UHFFFAOYSA-N -1 3 381.444 0.826 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000735465420 598465941 /nfs/dbraw/zinc/46/59/41/598465941.db2.gz JWEHSMRTEGSLPB-VOTSOKGWSA-N -1 3 397.439 0.077 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000735465420 598465942 /nfs/dbraw/zinc/46/59/42/598465942.db2.gz JWEHSMRTEGSLPB-VOTSOKGWSA-N -1 3 397.439 0.077 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737746272 598468018 /nfs/dbraw/zinc/46/80/18/598468018.db2.gz QPDAOBADUIJGMA-QGZVFWFLSA-N -1 3 378.392 0.857 20 0 GCADHM C[C@@H](Cn1ccnc1)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736100420 598469602 /nfs/dbraw/zinc/46/96/02/598469602.db2.gz YOTGZNPRABKRKT-ZDUSSCGKSA-N -1 3 396.459 0.815 20 0 GCADHM C[C@@H](Cn1ccnc1)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736100420 598469604 /nfs/dbraw/zinc/46/96/04/598469604.db2.gz YOTGZNPRABKRKT-ZDUSSCGKSA-N -1 3 396.459 0.815 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@H]1CCCCNC1=O ZINC000738032028 598470352 /nfs/dbraw/zinc/47/03/52/598470352.db2.gz JJUALDZFZCERQL-AWEZNQCLSA-N -1 3 399.459 0.198 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@H]1CCCCNC1=O ZINC000738032028 598470353 /nfs/dbraw/zinc/47/03/53/598470353.db2.gz JJUALDZFZCERQL-AWEZNQCLSA-N -1 3 399.459 0.198 20 0 GCADHM COCCOCCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737011743 598470373 /nfs/dbraw/zinc/47/03/73/598470373.db2.gz YHZNLNDCBCERTC-UHFFFAOYSA-N -1 3 390.448 0.193 20 0 GCADHM COCCOCCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737011743 598470374 /nfs/dbraw/zinc/47/03/74/598470374.db2.gz YHZNLNDCBCERTC-UHFFFAOYSA-N -1 3 390.448 0.193 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737740891 598470405 /nfs/dbraw/zinc/47/04/05/598470405.db2.gz BAEYOVYOVOUQRZ-SFHVURJKSA-N -1 3 391.435 0.568 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737740891 598470407 /nfs/dbraw/zinc/47/04/07/598470407.db2.gz BAEYOVYOVOUQRZ-SFHVURJKSA-N -1 3 391.435 0.568 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737742991 598470606 /nfs/dbraw/zinc/47/06/06/598470606.db2.gz IACDFNQMBDZCHW-QGZVFWFLSA-N -1 3 377.408 0.890 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737742991 598470608 /nfs/dbraw/zinc/47/06/08/598470608.db2.gz IACDFNQMBDZCHW-QGZVFWFLSA-N -1 3 377.408 0.890 20 0 GCADHM O=C(NCCNC(=O)C1CC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738073849 598470654 /nfs/dbraw/zinc/47/06/54/598470654.db2.gz BWCHAZXKIKSKOW-UHFFFAOYSA-N -1 3 399.459 0.056 20 0 GCADHM O=C(NCCNC(=O)C1CC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738073849 598470655 /nfs/dbraw/zinc/47/06/55/598470655.db2.gz BWCHAZXKIKSKOW-UHFFFAOYSA-N -1 3 399.459 0.056 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737747658 598470890 /nfs/dbraw/zinc/47/08/90/598470890.db2.gz WGMGRVRAGZHOTH-CRAIPNDOSA-N -1 3 394.435 0.691 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735796041 598470987 /nfs/dbraw/zinc/47/09/87/598470987.db2.gz QYWONVDLUGTRRT-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735796041 598470988 /nfs/dbraw/zinc/47/09/88/598470988.db2.gz QYWONVDLUGTRRT-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000736157453 598476544 /nfs/dbraw/zinc/47/65/44/598476544.db2.gz CPKDNDPIEPSRDZ-VIFPVBQESA-N -1 3 381.352 0.545 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000736157453 598476545 /nfs/dbraw/zinc/47/65/45/598476545.db2.gz CPKDNDPIEPSRDZ-VIFPVBQESA-N -1 3 381.352 0.545 20 0 GCADHM CNC(=O)[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736871348 598477369 /nfs/dbraw/zinc/47/73/69/598477369.db2.gz PWGGJTIMDILUEB-OAHLLOKOSA-N -1 3 395.379 0.022 20 0 GCADHM CNC(=O)[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736871348 598477370 /nfs/dbraw/zinc/47/73/70/598477370.db2.gz PWGGJTIMDILUEB-OAHLLOKOSA-N -1 3 395.379 0.022 20 0 GCADHM CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735457847 598477461 /nfs/dbraw/zinc/47/74/61/598477461.db2.gz DNMIQVBMJZKILC-INIZCTEOSA-N -1 3 394.391 0.735 20 0 GCADHM CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735457847 598477462 /nfs/dbraw/zinc/47/74/62/598477462.db2.gz DNMIQVBMJZKILC-INIZCTEOSA-N -1 3 394.391 0.735 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)NCCOc1ccc(F)cc1 ZINC000737907236 598478515 /nfs/dbraw/zinc/47/85/15/598478515.db2.gz ACTZTVCDXIXNBI-UHFFFAOYSA-N -1 3 386.343 0.753 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)NCCOc1ccc(F)cc1 ZINC000737907236 598478516 /nfs/dbraw/zinc/47/85/16/598478516.db2.gz ACTZTVCDXIXNBI-UHFFFAOYSA-N -1 3 386.343 0.753 20 0 GCADHM COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736895652 598479295 /nfs/dbraw/zinc/47/92/95/598479295.db2.gz ZLEYNOBWZSWLFF-GFCCVEGCSA-N -1 3 376.373 0.122 20 0 GCADHM COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736895652 598479297 /nfs/dbraw/zinc/47/92/97/598479297.db2.gz ZLEYNOBWZSWLFF-GFCCVEGCSA-N -1 3 376.373 0.122 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000736160934 598479697 /nfs/dbraw/zinc/47/96/97/598479697.db2.gz UEFHMLNXJUFYTP-SNVBAGLBSA-N -1 3 393.363 0.792 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000736160934 598479698 /nfs/dbraw/zinc/47/96/98/598479698.db2.gz UEFHMLNXJUFYTP-SNVBAGLBSA-N -1 3 393.363 0.792 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735797976 598480678 /nfs/dbraw/zinc/48/06/78/598480678.db2.gz BDKJVNOOUALABA-HNNXBMFYSA-N -1 3 388.476 0.937 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735797976 598480680 /nfs/dbraw/zinc/48/06/80/598480680.db2.gz BDKJVNOOUALABA-HNNXBMFYSA-N -1 3 388.476 0.937 20 0 GCADHM CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736883104 598482355 /nfs/dbraw/zinc/48/23/55/598482355.db2.gz SSOHJWYOCDGCJV-SNVBAGLBSA-N -1 3 395.379 0.805 20 0 GCADHM CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736883104 598482357 /nfs/dbraw/zinc/48/23/57/598482357.db2.gz SSOHJWYOCDGCJV-SNVBAGLBSA-N -1 3 395.379 0.805 20 0 GCADHM O=C(NC[C@@H](O)c1ccco1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738042249 598482669 /nfs/dbraw/zinc/48/26/69/598482669.db2.gz XTENDNBVUWAYRS-CQSZACIVSA-N -1 3 398.427 0.856 20 0 GCADHM O=C(NC[C@@H](O)c1ccco1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738042249 598482670 /nfs/dbraw/zinc/48/26/70/598482670.db2.gz XTENDNBVUWAYRS-CQSZACIVSA-N -1 3 398.427 0.856 20 0 GCADHM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)s1 ZINC000735472826 598483265 /nfs/dbraw/zinc/48/32/65/598483265.db2.gz ARQDCNYMVSGQJN-UHFFFAOYSA-N -1 3 386.393 0.999 20 0 GCADHM CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)s1 ZINC000735472826 598483266 /nfs/dbraw/zinc/48/32/66/598483266.db2.gz ARQDCNYMVSGQJN-UHFFFAOYSA-N -1 3 386.393 0.999 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000826432801 607358302 /nfs/dbraw/zinc/35/83/02/607358302.db2.gz LIYJNOGVRPCDPJ-JKSUJKDBSA-N -1 3 384.440 0.872 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000826432801 607358304 /nfs/dbraw/zinc/35/83/04/607358304.db2.gz LIYJNOGVRPCDPJ-JKSUJKDBSA-N -1 3 384.440 0.872 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737743743 598504077 /nfs/dbraw/zinc/50/40/77/598504077.db2.gz JMSBTQZRGKENJK-CQSZACIVSA-N -1 3 378.392 0.936 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC(Oc2ccncc2)C1 ZINC000737026531 598505272 /nfs/dbraw/zinc/50/52/72/598505272.db2.gz YBMDWQZKEDNNBU-UHFFFAOYSA-N -1 3 382.380 0.939 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)COCC(=O)NCc1cccnc1 ZINC000736820535 598506339 /nfs/dbraw/zinc/50/63/39/598506339.db2.gz OQTZYUNJWUGEHC-UHFFFAOYSA-N -1 3 395.423 0.553 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)COCC(=O)NCc1cccnc1 ZINC000736820535 598506341 /nfs/dbraw/zinc/50/63/41/598506341.db2.gz OQTZYUNJWUGEHC-UHFFFAOYSA-N -1 3 395.423 0.553 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736509973 598508070 /nfs/dbraw/zinc/50/80/70/598508070.db2.gz MIQMRDCOWFGJIW-ZDUSSCGKSA-N -1 3 396.498 0.550 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736509973 598508072 /nfs/dbraw/zinc/50/80/72/598508072.db2.gz MIQMRDCOWFGJIW-ZDUSSCGKSA-N -1 3 396.498 0.550 20 0 GCADHM COc1ccc(OS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C(N)=O)c1 ZINC000737111919 598508995 /nfs/dbraw/zinc/50/89/95/598508995.db2.gz QWZZQMVVFWIPQC-UHFFFAOYSA-N -1 3 389.393 0.883 20 0 GCADHM COc1ccc(OS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C(N)=O)c1 ZINC000737111919 598508997 /nfs/dbraw/zinc/50/89/97/598508997.db2.gz QWZZQMVVFWIPQC-UHFFFAOYSA-N -1 3 389.393 0.883 20 0 GCADHM O=C1Cc2ccccc2N1CCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000738314482 598509035 /nfs/dbraw/zinc/50/90/35/598509035.db2.gz AADZVCFEOGILNJ-UHFFFAOYSA-N -1 3 398.448 0.875 20 0 GCADHM O=C1Cc2ccccc2N1CCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000738314482 598509036 /nfs/dbraw/zinc/50/90/36/598509036.db2.gz AADZVCFEOGILNJ-UHFFFAOYSA-N -1 3 398.448 0.875 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1C1OCCO1 ZINC000738330469 598509637 /nfs/dbraw/zinc/50/96/37/598509637.db2.gz PCHHAROEETWDDO-AWEZNQCLSA-N -1 3 379.442 0.924 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1C1OCCO1 ZINC000738330469 598509640 /nfs/dbraw/zinc/50/96/40/598509640.db2.gz PCHHAROEETWDDO-AWEZNQCLSA-N -1 3 379.442 0.924 20 0 GCADHM COC(=O)N[C@H](CC(C)C)C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000736935688 598510651 /nfs/dbraw/zinc/51/06/51/598510651.db2.gz KIVRWIYKFOGSAI-GFCCVEGCSA-N -1 3 377.405 0.988 20 0 GCADHM COC(=O)N[C@H](CC(C)C)C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000736935688 598510652 /nfs/dbraw/zinc/51/06/52/598510652.db2.gz KIVRWIYKFOGSAI-GFCCVEGCSA-N -1 3 377.405 0.988 20 0 GCADHM Cc1cc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)ccc1-n1cnnn1 ZINC000737239588 598512582 /nfs/dbraw/zinc/51/25/82/598512582.db2.gz AIRJCMIZDRPQHB-UHFFFAOYSA-N -1 3 392.383 0.815 20 0 GCADHM Cc1cc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)ccc1-n1cnnn1 ZINC000737239588 598512584 /nfs/dbraw/zinc/51/25/84/598512584.db2.gz AIRJCMIZDRPQHB-UHFFFAOYSA-N -1 3 392.383 0.815 20 0 GCADHM Cc1ccn2ncc(C(=O)N3CCN(c4ncccc4-c4nnn[n-]4)CC3)c2n1 ZINC000737437176 598520450 /nfs/dbraw/zinc/52/04/50/598520450.db2.gz RWWUYRRQVSIMBF-UHFFFAOYSA-N -1 3 390.411 0.575 20 0 GCADHM Cc1ccn2ncc(C(=O)N3CCN(c4ncccc4-c4nn[n-]n4)CC3)c2n1 ZINC000737437176 598520451 /nfs/dbraw/zinc/52/04/51/598520451.db2.gz RWWUYRRQVSIMBF-UHFFFAOYSA-N -1 3 390.411 0.575 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000736478465 598522793 /nfs/dbraw/zinc/52/27/93/598522793.db2.gz BCFCEQYPNWSUEI-UHFFFAOYSA-N -1 3 384.400 0.684 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cn1cc(C(=O)OC)nn1 ZINC000736478465 598522794 /nfs/dbraw/zinc/52/27/94/598522794.db2.gz BCFCEQYPNWSUEI-UHFFFAOYSA-N -1 3 384.400 0.684 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1C1OCCO1 ZINC000738040093 598530602 /nfs/dbraw/zinc/53/06/02/598530602.db2.gz SGERKZDJEQVFCR-AWEZNQCLSA-N -1 3 386.412 0.351 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1C1OCCO1 ZINC000738040093 598530603 /nfs/dbraw/zinc/53/06/03/598530603.db2.gz SGERKZDJEQVFCR-AWEZNQCLSA-N -1 3 386.412 0.351 20 0 GCADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CC(=O)NCC2CCC2)C1=O ZINC000736224258 598531306 /nfs/dbraw/zinc/53/13/06/598531306.db2.gz RHHYSVFUVNARTJ-GOSISDBHSA-N -1 3 383.412 0.550 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CC(=O)NCC2CCC2)C1=O ZINC000736224258 598531307 /nfs/dbraw/zinc/53/13/07/598531307.db2.gz RHHYSVFUVNARTJ-GOSISDBHSA-N -1 3 383.412 0.550 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C(C)C ZINC000736934762 598534177 /nfs/dbraw/zinc/53/41/77/598534177.db2.gz CVCDEBRGPLQQSP-ZDUSSCGKSA-N -1 3 388.432 0.291 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C(C)C ZINC000736934762 598534179 /nfs/dbraw/zinc/53/41/79/598534179.db2.gz CVCDEBRGPLQQSP-ZDUSSCGKSA-N -1 3 388.432 0.291 20 0 GCADHM COCCN(Cc1cccnc1)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737008847 598534679 /nfs/dbraw/zinc/53/46/79/598534679.db2.gz VSTFNLLQQRMLPL-UHFFFAOYSA-N -1 3 397.443 0.927 20 0 GCADHM COCCN(Cc1cccnc1)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737008847 598534681 /nfs/dbraw/zinc/53/46/81/598534681.db2.gz VSTFNLLQQRMLPL-UHFFFAOYSA-N -1 3 397.443 0.927 20 0 GCADHM O=C(COCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)NCc1cccnc1 ZINC000737915344 598536986 /nfs/dbraw/zinc/53/69/86/598536986.db2.gz FHFMOBDSDDCKFL-UHFFFAOYSA-N -1 3 399.386 0.350 20 0 GCADHM O=C(COCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)NCc1cccnc1 ZINC000737915344 598536987 /nfs/dbraw/zinc/53/69/87/598536987.db2.gz FHFMOBDSDDCKFL-UHFFFAOYSA-N -1 3 399.386 0.350 20 0 GCADHM O=C(NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccccc1F ZINC000738075496 598537815 /nfs/dbraw/zinc/53/78/15/598537815.db2.gz OXGNAXBFUPXDKV-UHFFFAOYSA-N -1 3 396.430 0.953 20 0 GCADHM O=C(NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccccc1F ZINC000738075496 598537817 /nfs/dbraw/zinc/53/78/17/598537817.db2.gz OXGNAXBFUPXDKV-UHFFFAOYSA-N -1 3 396.430 0.953 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735748790 598539050 /nfs/dbraw/zinc/53/90/50/598539050.db2.gz YFSZHDPBKDRXIH-CQSZACIVSA-N -1 3 377.836 0.915 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735748790 598539052 /nfs/dbraw/zinc/53/90/52/598539052.db2.gz YFSZHDPBKDRXIH-CQSZACIVSA-N -1 3 377.836 0.915 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735748787 598539194 /nfs/dbraw/zinc/53/91/94/598539194.db2.gz YFSZHDPBKDRXIH-AWEZNQCLSA-N -1 3 377.836 0.915 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735748787 598539196 /nfs/dbraw/zinc/53/91/96/598539196.db2.gz YFSZHDPBKDRXIH-AWEZNQCLSA-N -1 3 377.836 0.915 20 0 GCADHM CN(C)c1nnc(S(=O)(=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000736779438 598543487 /nfs/dbraw/zinc/54/34/87/598543487.db2.gz NOHKPHIETBGXFD-UHFFFAOYSA-N -1 3 394.442 0.197 20 0 GCADHM CN(C)c1nnc(S(=O)(=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000736779438 598543489 /nfs/dbraw/zinc/54/34/89/598543489.db2.gz NOHKPHIETBGXFD-UHFFFAOYSA-N -1 3 394.442 0.197 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736303215 598547912 /nfs/dbraw/zinc/54/79/12/598547912.db2.gz KKMWOKWHYPZVEV-LLVKDONJSA-N -1 3 376.446 0.101 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736303215 598547914 /nfs/dbraw/zinc/54/79/14/598547914.db2.gz KKMWOKWHYPZVEV-LLVKDONJSA-N -1 3 376.446 0.101 20 0 GCADHM CCOC(=O)C1=C(COc2ccc(-c3nnn[n-]3)c(F)c2)NC(=O)N[C@H]1C ZINC000736590509 598549067 /nfs/dbraw/zinc/54/90/67/598549067.db2.gz IPSMZAVLTSOYCH-QMMMGPOBSA-N -1 3 376.348 0.903 20 0 GCADHM CCOC(=O)C1=C(COc2ccc(-c3nn[n-]n3)c(F)c2)NC(=O)N[C@H]1C ZINC000736590509 598549069 /nfs/dbraw/zinc/54/90/69/598549069.db2.gz IPSMZAVLTSOYCH-QMMMGPOBSA-N -1 3 376.348 0.903 20 0 GCADHM CO[C@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C1 ZINC000736962438 598551083 /nfs/dbraw/zinc/55/10/83/598551083.db2.gz PHPVPALYFOSWMN-AWEZNQCLSA-N -1 3 385.428 0.699 20 0 GCADHM CO[C@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000736962438 598551085 /nfs/dbraw/zinc/55/10/85/598551085.db2.gz PHPVPALYFOSWMN-AWEZNQCLSA-N -1 3 385.428 0.699 20 0 GCADHM C[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)N1CCCCC1 ZINC000736105087 598551604 /nfs/dbraw/zinc/55/16/04/598551604.db2.gz LVUWVORQFGPQQH-NSHDSACASA-N -1 3 376.392 0.902 20 0 GCADHM C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)N1CCCCC1 ZINC000736105087 598551605 /nfs/dbraw/zinc/55/16/05/598551605.db2.gz LVUWVORQFGPQQH-NSHDSACASA-N -1 3 376.392 0.902 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)CCS(C)(=O)=O ZINC000735569425 598552069 /nfs/dbraw/zinc/55/20/69/598552069.db2.gz HOAXJUMOUSXTJQ-VIFPVBQESA-N -1 3 398.514 0.720 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)CCS(C)(=O)=O ZINC000735569425 598552071 /nfs/dbraw/zinc/55/20/71/598552071.db2.gz HOAXJUMOUSXTJQ-VIFPVBQESA-N -1 3 398.514 0.720 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](C2OCCO2)C1 ZINC000738040772 598556525 /nfs/dbraw/zinc/55/65/25/598556525.db2.gz WMEGNRNCJQFRNY-AWEZNQCLSA-N -1 3 386.412 0.208 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](C2OCCO2)C1 ZINC000738040772 598556527 /nfs/dbraw/zinc/55/65/27/598556527.db2.gz WMEGNRNCJQFRNY-AWEZNQCLSA-N -1 3 386.412 0.208 20 0 GCADHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cc1C(N)=O ZINC000737115090 598558403 /nfs/dbraw/zinc/55/84/03/598558403.db2.gz JMWASUPBAQEGRS-UHFFFAOYSA-N -1 3 393.356 0.881 20 0 GCADHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cc1C(N)=O ZINC000737115090 598558404 /nfs/dbraw/zinc/55/84/04/598558404.db2.gz JMWASUPBAQEGRS-UHFFFAOYSA-N -1 3 393.356 0.881 20 0 GCADHM CCOCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736614944 598563970 /nfs/dbraw/zinc/56/39/70/598563970.db2.gz JESPGHFMKVJCLD-UHFFFAOYSA-N -1 3 384.343 0.949 20 0 GCADHM CCOCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736614944 598563972 /nfs/dbraw/zinc/56/39/72/598563972.db2.gz JESPGHFMKVJCLD-UHFFFAOYSA-N -1 3 384.343 0.949 20 0 GCADHM NS(=O)(=O)c1ccc(CCNc2nc3ccccn3c2-c2nnn[n-]2)cc1 ZINC000737764505 598566672 /nfs/dbraw/zinc/56/66/72/598566672.db2.gz INLTWBINYLXBHF-UHFFFAOYSA-N -1 3 384.425 0.816 20 0 GCADHM NS(=O)(=O)c1ccc(CCNc2nc3ccccn3c2-c2nn[n-]n2)cc1 ZINC000737764505 598566673 /nfs/dbraw/zinc/56/66/73/598566673.db2.gz INLTWBINYLXBHF-UHFFFAOYSA-N -1 3 384.425 0.816 20 0 GCADHM CN1C(=S)N=NC1CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737598043 598567716 /nfs/dbraw/zinc/56/77/16/598567716.db2.gz WJXHRNUPBWIRFN-UHFFFAOYSA-N -1 3 393.820 0.192 20 0 GCADHM CN1C(=S)N=NC1CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737598043 598567717 /nfs/dbraw/zinc/56/77/17/598567717.db2.gz WJXHRNUPBWIRFN-UHFFFAOYSA-N -1 3 393.820 0.192 20 0 GCADHM NS(=O)(=O)C1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737763303 598567766 /nfs/dbraw/zinc/56/77/66/598567766.db2.gz BBHVACNUEJUYPC-UHFFFAOYSA-N -1 3 396.498 0.379 20 0 GCADHM NS(=O)(=O)C1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737763303 598567767 /nfs/dbraw/zinc/56/77/67/598567767.db2.gz BBHVACNUEJUYPC-UHFFFAOYSA-N -1 3 396.498 0.379 20 0 GCADHM C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736230543 598569349 /nfs/dbraw/zinc/56/93/49/598569349.db2.gz SSSDLEPMXBGCMP-SFHVURJKSA-N -1 3 392.379 0.667 20 0 GCADHM C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736230543 598569350 /nfs/dbraw/zinc/56/93/50/598569350.db2.gz SSSDLEPMXBGCMP-SFHVURJKSA-N -1 3 392.379 0.667 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000737059024 598570135 /nfs/dbraw/zinc/57/01/35/598570135.db2.gz QWQDZOFCVFYHIU-UHFFFAOYSA-N -1 3 385.384 0.582 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824817104 607358708 /nfs/dbraw/zinc/35/87/08/607358708.db2.gz KTENCMCSEXKLHV-GOSISDBHSA-N -1 3 398.379 0.313 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824817104 607358710 /nfs/dbraw/zinc/35/87/10/607358710.db2.gz KTENCMCSEXKLHV-GOSISDBHSA-N -1 3 398.379 0.313 20 0 GCADHM NC(=O)Cn1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737759570 598578597 /nfs/dbraw/zinc/57/85/97/598578597.db2.gz VMFGZMDYMOOWGI-CYBMUJFWSA-N -1 3 381.400 0.156 20 0 GCADHM NC(=O)Cn1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737759571 598578863 /nfs/dbraw/zinc/57/88/63/598578863.db2.gz VMFGZMDYMOOWGI-ZDUSSCGKSA-N -1 3 381.400 0.156 20 0 GCADHM O=C(CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NCC(F)(F)F ZINC000737889862 598579098 /nfs/dbraw/zinc/57/90/98/598579098.db2.gz SNNUWWKBAGARED-GFCCVEGCSA-N -1 3 397.361 0.630 20 0 GCADHM CN(CC(=O)N1CCCC1)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736783449 598579584 /nfs/dbraw/zinc/57/95/84/598579584.db2.gz TYJYMFKYZYBMAC-MRXNPFEDSA-N -1 3 383.456 0.916 20 0 GCADHM COC(=O)Cn1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736932325 598579684 /nfs/dbraw/zinc/57/96/84/598579684.db2.gz KJVPTLLXQONUIQ-AWEZNQCLSA-N -1 3 396.411 0.844 20 0 GCADHM Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737490784 598579949 /nfs/dbraw/zinc/57/99/49/598579949.db2.gz WYZHYUWCXZGYAM-ZBFHGGJFSA-N -1 3 393.455 0.867 20 0 GCADHM C[C@H](C(=O)Nc1ncccn1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735570540 598580315 /nfs/dbraw/zinc/58/03/15/598580315.db2.gz NPSMYOQFCMVAMF-CYBMUJFWSA-N -1 3 379.428 0.806 20 0 GCADHM C[C@H](C(=O)Nc1ncccn1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735570540 598580317 /nfs/dbraw/zinc/58/03/17/598580317.db2.gz NPSMYOQFCMVAMF-CYBMUJFWSA-N -1 3 379.428 0.806 20 0 GCADHM C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000735569141 598580321 /nfs/dbraw/zinc/58/03/21/598580321.db2.gz FNKUAJRSGBGXQK-LBPRGKRZSA-N -1 3 380.416 0.201 20 0 GCADHM C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000735569141 598580323 /nfs/dbraw/zinc/58/03/23/598580323.db2.gz FNKUAJRSGBGXQK-LBPRGKRZSA-N -1 3 380.416 0.201 20 0 GCADHM C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735569849 598580333 /nfs/dbraw/zinc/58/03/33/598580333.db2.gz ITXFGRFPZVHAHI-LBPRGKRZSA-N -1 3 397.418 0.945 20 0 GCADHM O=C(CN1C(=O)NC2(CCSCC2)C1=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737878339 598581096 /nfs/dbraw/zinc/58/10/96/598581096.db2.gz OVZYEVHXXKGULS-UHFFFAOYSA-N -1 3 387.425 0.623 20 0 GCADHM O=C(CN1C(=O)NC2(CCSCC2)C1=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737878339 598581098 /nfs/dbraw/zinc/58/10/98/598581098.db2.gz OVZYEVHXXKGULS-UHFFFAOYSA-N -1 3 387.425 0.623 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(Cc1ccc(F)cc1-c1nnn[n-]1)c2=O ZINC000736932833 598586084 /nfs/dbraw/zinc/58/60/84/598586084.db2.gz UAYIIFNIDWWDPQ-UHFFFAOYSA-N -1 3 384.331 0.134 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(Cc1ccc(F)cc1-c1nn[n-]n1)c2=O ZINC000736932833 598586085 /nfs/dbraw/zinc/58/60/85/598586085.db2.gz UAYIIFNIDWWDPQ-UHFFFAOYSA-N -1 3 384.331 0.134 20 0 GCADHM Cn1c(=O)c2ccc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)nc2n(C)c1=O ZINC000737589335 598586543 /nfs/dbraw/zinc/58/65/43/598586543.db2.gz NPIAEBRUQCLLEV-UHFFFAOYSA-N -1 3 396.342 0.204 20 0 GCADHM Cn1c(=O)c2ccc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)nc2n(C)c1=O ZINC000737589335 598586544 /nfs/dbraw/zinc/58/65/44/598586544.db2.gz NPIAEBRUQCLLEV-UHFFFAOYSA-N -1 3 396.342 0.204 20 0 GCADHM Cn1ncc2c1nc(CCC(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)[nH]c2=O ZINC000737621443 598588209 /nfs/dbraw/zinc/58/82/09/598588209.db2.gz GXZUVTVSEUBSMC-UHFFFAOYSA-N -1 3 383.347 0.959 20 0 GCADHM Cn1ncc2c1nc(CCC(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)[nH]c2=O ZINC000737621443 598588211 /nfs/dbraw/zinc/58/82/11/598588211.db2.gz GXZUVTVSEUBSMC-UHFFFAOYSA-N -1 3 383.347 0.959 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCOC[C@H]1CCOC1 ZINC000737023464 598590692 /nfs/dbraw/zinc/59/06/92/598590692.db2.gz KRIFMVGTUAQYBU-LBPRGKRZSA-N -1 3 377.401 0.423 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCOC[C@H]1CCOC1 ZINC000737023464 598590694 /nfs/dbraw/zinc/59/06/94/598590694.db2.gz KRIFMVGTUAQYBU-LBPRGKRZSA-N -1 3 377.401 0.423 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738082306 598591597 /nfs/dbraw/zinc/59/15/97/598591597.db2.gz LFKPQXWTEYDATA-SNVBAGLBSA-N -1 3 394.819 0.628 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738082306 598591599 /nfs/dbraw/zinc/59/15/99/598591599.db2.gz LFKPQXWTEYDATA-SNVBAGLBSA-N -1 3 394.819 0.628 20 0 GCADHM NC(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737758533 598595486 /nfs/dbraw/zinc/59/54/86/598595486.db2.gz LZNSPPPNABSJEJ-XJKSGUPXSA-N -1 3 398.471 0.742 20 0 GCADHM COCC(=O)N1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736965312 598595501 /nfs/dbraw/zinc/59/55/01/598595501.db2.gz BSQAPEIDAIJQOO-MRXNPFEDSA-N -1 3 399.455 0.153 20 0 GCADHM CC(C)(CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)NS(C)(=O)=O ZINC000735670741 598597217 /nfs/dbraw/zinc/59/72/17/598597217.db2.gz VVAPSZJOKOXNNY-UHFFFAOYSA-N -1 3 385.425 0.133 20 0 GCADHM CC(C)(CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)NS(C)(=O)=O ZINC000735670741 598597218 /nfs/dbraw/zinc/59/72/18/598597218.db2.gz VVAPSZJOKOXNNY-UHFFFAOYSA-N -1 3 385.425 0.133 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735624194 598599163 /nfs/dbraw/zinc/59/91/63/598599163.db2.gz XEJFGRJGIZHNHG-UHFFFAOYSA-N -1 3 396.429 0.066 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735624194 598599162 /nfs/dbraw/zinc/59/91/62/598599162.db2.gz XEJFGRJGIZHNHG-UHFFFAOYSA-N -1 3 396.429 0.066 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000738085725 598599220 /nfs/dbraw/zinc/59/92/20/598599220.db2.gz MPGANDXMVBHMEN-UHFFFAOYSA-N -1 3 393.473 0.385 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738085725 598599222 /nfs/dbraw/zinc/59/92/22/598599222.db2.gz MPGANDXMVBHMEN-UHFFFAOYSA-N -1 3 393.473 0.385 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738082671 598601823 /nfs/dbraw/zinc/60/18/23/598601823.db2.gz MDKDYCBWYXILGX-SNVBAGLBSA-N -1 3 394.819 0.628 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738082671 598601825 /nfs/dbraw/zinc/60/18/25/598601825.db2.gz MDKDYCBWYXILGX-SNVBAGLBSA-N -1 3 394.819 0.628 20 0 GCADHM O=C(NCCOC[C@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738082669 598602028 /nfs/dbraw/zinc/60/20/28/598602028.db2.gz MDKDYCBWYXILGX-JTQLQIEISA-N -1 3 394.819 0.628 20 0 GCADHM O=C(NCCOC[C@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738082669 598602031 /nfs/dbraw/zinc/60/20/31/598602031.db2.gz MDKDYCBWYXILGX-JTQLQIEISA-N -1 3 394.819 0.628 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000738177237 598602184 /nfs/dbraw/zinc/60/21/84/598602184.db2.gz HCGOXXRGQWZFHS-OAHLLOKOSA-N -1 3 391.391 0.727 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000738177237 598602185 /nfs/dbraw/zinc/60/21/85/598602185.db2.gz HCGOXXRGQWZFHS-OAHLLOKOSA-N -1 3 391.391 0.727 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000738152455 598602239 /nfs/dbraw/zinc/60/22/39/598602239.db2.gz UGIABDZMRAZBOQ-OAHLLOKOSA-N -1 3 391.391 0.727 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000738152455 598602240 /nfs/dbraw/zinc/60/22/40/598602240.db2.gz UGIABDZMRAZBOQ-OAHLLOKOSA-N -1 3 391.391 0.727 20 0 GCADHM CC(=O)c1cccc(O[C@@H](C)C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000735499678 598602254 /nfs/dbraw/zinc/60/22/54/598602254.db2.gz RLGODFONUHQADN-NSHDSACASA-N -1 3 385.384 0.859 20 0 GCADHM CC(=O)c1cccc(O[C@@H](C)C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000735499678 598602255 /nfs/dbraw/zinc/60/22/55/598602255.db2.gz RLGODFONUHQADN-NSHDSACASA-N -1 3 385.384 0.859 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)C1(c2ccccc2)CCOCC1 ZINC000737769681 598603026 /nfs/dbraw/zinc/60/30/26/598603026.db2.gz BUYIYWAFSUGTDQ-UHFFFAOYSA-N -1 3 383.412 0.937 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)C1(c2ccccc2)CCOCC1 ZINC000737769681 598603027 /nfs/dbraw/zinc/60/30/27/598603027.db2.gz BUYIYWAFSUGTDQ-UHFFFAOYSA-N -1 3 383.412 0.937 20 0 GCADHM CC(=O)N[C@@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)c1ccccc1 ZINC000735474481 598603749 /nfs/dbraw/zinc/60/37/49/598603749.db2.gz JSZLNUUSGVJJOR-AWEZNQCLSA-N -1 3 384.400 0.456 20 0 GCADHM CC(=O)N[C@@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC000735474481 598603751 /nfs/dbraw/zinc/60/37/51/598603751.db2.gz JSZLNUUSGVJJOR-AWEZNQCLSA-N -1 3 384.400 0.456 20 0 GCADHM CCCC(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000736410118 598603784 /nfs/dbraw/zinc/60/37/84/598603784.db2.gz KUSZSWWTVSVNDK-LLVKDONJSA-N -1 3 376.421 0.227 20 0 GCADHM CCCC(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000736410118 598603786 /nfs/dbraw/zinc/60/37/86/598603786.db2.gz KUSZSWWTVSVNDK-LLVKDONJSA-N -1 3 376.421 0.227 20 0 GCADHM CCOC(=O)c1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)nc1C ZINC000736602826 598605445 /nfs/dbraw/zinc/60/54/45/598605445.db2.gz OCJSJYRKXMJLTO-UHFFFAOYSA-N -1 3 386.372 0.383 20 0 GCADHM CCOC(=O)c1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)nc1C ZINC000736602826 598605446 /nfs/dbraw/zinc/60/54/46/598605446.db2.gz OCJSJYRKXMJLTO-UHFFFAOYSA-N -1 3 386.372 0.383 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000737771409 598607845 /nfs/dbraw/zinc/60/78/45/598607845.db2.gz QZZDNOGBDXDPFF-JTQLQIEISA-N -1 3 386.347 0.454 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000737771409 598607847 /nfs/dbraw/zinc/60/78/47/598607847.db2.gz QZZDNOGBDXDPFF-JTQLQIEISA-N -1 3 386.347 0.454 20 0 GCADHM CN1CC(=O)N(CCCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000826017280 607362632 /nfs/dbraw/zinc/36/26/32/607362632.db2.gz JJZZJBODBKKANR-UHFFFAOYSA-N -1 3 386.368 0.267 20 0 GCADHM CN1CC(=O)N(CCCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000826017280 607362634 /nfs/dbraw/zinc/36/26/34/607362634.db2.gz JJZZJBODBKKANR-UHFFFAOYSA-N -1 3 386.368 0.267 20 0 GCADHM O=C(c1ccccn1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738285946 598608847 /nfs/dbraw/zinc/60/88/47/598608847.db2.gz KWTVMWWTKXUILJ-UHFFFAOYSA-N -1 3 399.436 0.408 20 0 GCADHM O=C(c1ccccn1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738285946 598608848 /nfs/dbraw/zinc/60/88/48/598608848.db2.gz KWTVMWWTKXUILJ-UHFFFAOYSA-N -1 3 399.436 0.408 20 0 GCADHM Cn1cc(CN2CCCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737600878 598612855 /nfs/dbraw/zinc/61/28/55/598612855.db2.gz AWCLDLOOXBZRLF-UHFFFAOYSA-N -1 3 396.455 0.714 20 0 GCADHM O=C(CCS(=O)(=O)C1CCCC1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737850431 598615239 /nfs/dbraw/zinc/61/52/39/598615239.db2.gz XXHBBNJNBLDJGT-UHFFFAOYSA-N -1 3 397.486 0.855 20 0 GCADHM O=C(CCS(=O)(=O)C1CCCC1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737850431 598615241 /nfs/dbraw/zinc/61/52/41/598615241.db2.gz XXHBBNJNBLDJGT-UHFFFAOYSA-N -1 3 397.486 0.855 20 0 GCADHM CC(C)C(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735684387 598615697 /nfs/dbraw/zinc/61/56/97/598615697.db2.gz KWBYJNFIPUTZLX-OAHLLOKOSA-N -1 3 397.439 0.299 20 0 GCADHM CC(C)C(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735684387 598615698 /nfs/dbraw/zinc/61/56/98/598615698.db2.gz KWBYJNFIPUTZLX-OAHLLOKOSA-N -1 3 397.439 0.299 20 0 GCADHM CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736601478 598615885 /nfs/dbraw/zinc/61/58/85/598615885.db2.gz YPUOZOSNFMNMAL-CQSZACIVSA-N -1 3 399.411 0.273 20 0 GCADHM CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736601478 598615886 /nfs/dbraw/zinc/61/58/86/598615886.db2.gz YPUOZOSNFMNMAL-CQSZACIVSA-N -1 3 399.411 0.273 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](OCCO)C1 ZINC000822917113 607362798 /nfs/dbraw/zinc/36/27/98/607362798.db2.gz NRRXVUYFJMJSCN-IAGOWNOFSA-N -1 3 386.456 0.835 20 0 GCADHM O=C(CN1CCC[C@H]1[C@@H](O)C(F)(F)F)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737875131 598618708 /nfs/dbraw/zinc/61/87/08/598618708.db2.gz CBXIELNJKZILRP-GXTWGEPZSA-N -1 3 384.362 0.871 20 0 GCADHM 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ZINC000737748306 598640800 /nfs/dbraw/zinc/64/08/00/598640800.db2.gz RPJOLBQNZXQOBD-JTQLQIEISA-N -1 3 389.391 0.448 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000735473706 598646998 /nfs/dbraw/zinc/64/69/98/598646998.db2.gz DAEDLSWXFQMQKV-NSHDSACASA-N -1 3 391.457 0.611 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000735473706 598646996 /nfs/dbraw/zinc/64/69/96/598646996.db2.gz DAEDLSWXFQMQKV-NSHDSACASA-N -1 3 391.457 0.611 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735476615 598647768 /nfs/dbraw/zinc/64/77/68/598647768.db2.gz YWRHVXPBVGZRED-ZDUSSCGKSA-N -1 3 391.819 0.586 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735476615 598647769 /nfs/dbraw/zinc/64/77/69/598647769.db2.gz YWRHVXPBVGZRED-ZDUSSCGKSA-N -1 3 391.819 0.586 20 0 GCADHM CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736506203 598648709 /nfs/dbraw/zinc/64/87/09/598648709.db2.gz XZZQKEJYDGZQLO-GFCCVEGCSA-N -1 3 381.483 0.994 20 0 GCADHM CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736506203 598648711 /nfs/dbraw/zinc/64/87/11/598648711.db2.gz XZZQKEJYDGZQLO-GFCCVEGCSA-N -1 3 381.483 0.994 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735475344 598649900 /nfs/dbraw/zinc/64/99/00/598649900.db2.gz PCAFALCBIIYMPK-ZDUSSCGKSA-N -1 3 391.819 0.586 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735475344 598649903 /nfs/dbraw/zinc/64/99/03/598649903.db2.gz PCAFALCBIIYMPK-ZDUSSCGKSA-N -1 3 391.819 0.586 20 0 GCADHM CCn1nc(C(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000736722350 598651783 /nfs/dbraw/zinc/65/17/83/598651783.db2.gz ODKNPQQBKVLFKL-UHFFFAOYSA-N -1 3 383.412 0.732 20 0 GCADHM CCn1nc(C(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000736722350 598651784 /nfs/dbraw/zinc/65/17/84/598651784.db2.gz ODKNPQQBKVLFKL-UHFFFAOYSA-N -1 3 383.412 0.732 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)cn1 ZINC000737931969 598660804 /nfs/dbraw/zinc/66/08/04/598660804.db2.gz ZHGLIEXAEHLVIB-UHFFFAOYSA-N -1 3 376.373 0.954 20 0 GCADHM NC(=O)CCNC(=O)c1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737745900 598662220 /nfs/dbraw/zinc/66/22/20/598662220.db2.gz GSMFNGFDHJPVJA-UHFFFAOYSA-N -1 3 379.380 0.724 20 0 GCADHM NC(=O)CCNC(=O)c1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737745900 598662221 /nfs/dbraw/zinc/66/22/21/598662221.db2.gz GSMFNGFDHJPVJA-UHFFFAOYSA-N -1 3 379.380 0.724 20 0 GCADHM COCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737014276 598663886 /nfs/dbraw/zinc/66/38/86/598663886.db2.gz NJHDOKXKQGXEOB-UHFFFAOYSA-N -1 3 388.409 0.934 20 0 GCADHM COCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737014276 598663888 /nfs/dbraw/zinc/66/38/88/598663888.db2.gz NJHDOKXKQGXEOB-UHFFFAOYSA-N -1 3 388.409 0.934 20 0 GCADHM CS(=O)(=O)N1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737164815 598664954 /nfs/dbraw/zinc/66/49/54/598664954.db2.gz BOQOKTRDNQIMNE-UHFFFAOYSA-N -1 3 396.498 0.453 20 0 GCADHM CS(=O)(=O)N1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737164815 598664956 /nfs/dbraw/zinc/66/49/56/598664956.db2.gz BOQOKTRDNQIMNE-UHFFFAOYSA-N -1 3 396.498 0.453 20 0 GCADHM COCC(=O)N1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736966461 598666659 /nfs/dbraw/zinc/66/66/59/598666659.db2.gz QLQFAMKNPQSGCZ-UHFFFAOYSA-N -1 3 376.442 0.276 20 0 GCADHM COCC(=O)N1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736966461 598666661 /nfs/dbraw/zinc/66/66/61/598666661.db2.gz QLQFAMKNPQSGCZ-UHFFFAOYSA-N -1 3 376.442 0.276 20 0 GCADHM CNC(=O)c1ccc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000736879331 598668316 /nfs/dbraw/zinc/66/83/16/598668316.db2.gz SCYIQRTXFSHDGJ-UHFFFAOYSA-N -1 3 392.423 0.584 20 0 GCADHM CNC(=O)c1ccc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000736879331 598668317 /nfs/dbraw/zinc/66/83/17/598668317.db2.gz SCYIQRTXFSHDGJ-UHFFFAOYSA-N -1 3 392.423 0.584 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1cnn(CCN2CCOCC2)c1 ZINC000737928717 598670802 /nfs/dbraw/zinc/67/08/02/598670802.db2.gz BTKDEYIBBYUTNG-UHFFFAOYSA-N -1 3 398.427 0.413 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1cnn(CCN2CCOCC2)c1 ZINC000737928717 598670804 /nfs/dbraw/zinc/67/08/04/598670804.db2.gz BTKDEYIBBYUTNG-UHFFFAOYSA-N -1 3 398.427 0.413 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000736938942 598673867 /nfs/dbraw/zinc/67/38/67/598673867.db2.gz DFXJWJYTJZBNAI-UHFFFAOYSA-N -1 3 377.386 0.510 20 0 GCADHM C[C@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)N(C)Cc1ccccc1 ZINC000736025870 598676259 /nfs/dbraw/zinc/67/62/59/598676259.db2.gz JUYHREOYXNZMIO-GFCCVEGCSA-N -1 3 384.444 0.197 20 0 GCADHM COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000736911913 598685105 /nfs/dbraw/zinc/68/51/05/598685105.db2.gz JNVXOYPZEYSILL-ONGXEEELSA-N -1 3 378.389 0.277 20 0 GCADHM CCNC(=O)CCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736572971 598686771 /nfs/dbraw/zinc/68/67/71/598686771.db2.gz HMGJOWUNHNLMOX-UHFFFAOYSA-N -1 3 375.408 0.571 20 0 GCADHM C[C@@H](O)CN1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736146341 598687746 /nfs/dbraw/zinc/68/77/46/598687746.db2.gz HEOHCDHUVZLIQD-OAHLLOKOSA-N -1 3 388.472 0.941 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000738302118 598687949 /nfs/dbraw/zinc/68/79/49/598687949.db2.gz UZZJXFWLNBAIOY-HNNXBMFYSA-N -1 3 398.423 0.822 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000738302118 598687951 /nfs/dbraw/zinc/68/79/51/598687951.db2.gz UZZJXFWLNBAIOY-HNNXBMFYSA-N -1 3 398.423 0.822 20 0 GCADHM O=S(=O)(NCc1nnc2n1CCCCC2)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738345438 598688980 /nfs/dbraw/zinc/68/89/80/598688980.db2.gz MHZQLDPINXFSPI-UHFFFAOYSA-N -1 3 392.420 0.802 20 0 GCADHM O=S(=O)(NCc1nnc2n1CCCCC2)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738345438 598688982 /nfs/dbraw/zinc/68/89/82/598688982.db2.gz MHZQLDPINXFSPI-UHFFFAOYSA-N -1 3 392.420 0.802 20 0 GCADHM CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735835081 598689839 /nfs/dbraw/zinc/68/98/39/598689839.db2.gz DOTKHTFXNPWFJT-LBPRGKRZSA-N -1 3 398.464 0.641 20 0 GCADHM CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735835081 598689840 /nfs/dbraw/zinc/68/98/40/598689840.db2.gz DOTKHTFXNPWFJT-LBPRGKRZSA-N -1 3 398.464 0.641 20 0 GCADHM Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737619583 598690555 /nfs/dbraw/zinc/69/05/55/598690555.db2.gz WCLYIUHDCPCBED-JTQLQIEISA-N -1 3 392.420 0.703 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735685101 598692316 /nfs/dbraw/zinc/69/23/16/598692316.db2.gz NZEZSPIXDGLHJI-LLVKDONJSA-N -1 3 396.448 0.931 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCS(=O)(=O)CC1 ZINC000735734120 598692464 /nfs/dbraw/zinc/69/24/64/598692464.db2.gz KFJFJUBLKBFAOW-OAHLLOKOSA-N -1 3 393.469 0.917 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCS(=O)(=O)CC1 ZINC000735734120 598692465 /nfs/dbraw/zinc/69/24/65/598692465.db2.gz KFJFJUBLKBFAOW-OAHLLOKOSA-N -1 3 393.469 0.917 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCS(=O)(=O)CC1 ZINC000735734119 598692773 /nfs/dbraw/zinc/69/27/73/598692773.db2.gz KFJFJUBLKBFAOW-HNNXBMFYSA-N -1 3 393.469 0.917 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCS(=O)(=O)CC1 ZINC000735734119 598692774 /nfs/dbraw/zinc/69/27/74/598692774.db2.gz KFJFJUBLKBFAOW-HNNXBMFYSA-N -1 3 393.469 0.917 20 0 GCADHM Cc1cc(C)n(C[C@@H]2CN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000737255894 598693137 /nfs/dbraw/zinc/69/31/37/598693137.db2.gz JZLWXNFVJYEAAH-KRWDZBQOSA-N -1 3 397.439 0.986 20 0 GCADHM CCOC(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736601523 598693272 /nfs/dbraw/zinc/69/32/72/598693272.db2.gz ZYDSRTXSXHRDNB-UHFFFAOYSA-N -1 3 398.420 0.859 20 0 GCADHM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736892663 598693412 /nfs/dbraw/zinc/69/34/12/598693412.db2.gz OSNIQJBAUBYLOY-VIFPVBQESA-N -1 3 383.405 0.968 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736881587 598694845 /nfs/dbraw/zinc/69/48/45/598694845.db2.gz DVQAHIMNDQNFNG-VOTSOKGWSA-N -1 3 376.442 0.420 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736881587 598694847 /nfs/dbraw/zinc/69/48/47/598694847.db2.gz DVQAHIMNDQNFNG-VOTSOKGWSA-N -1 3 376.442 0.420 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736912514 598694890 /nfs/dbraw/zinc/69/48/90/598694890.db2.gz OFZFIFIPCJEKRP-LLVKDONJSA-N -1 3 387.805 0.083 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000736912514 598694891 /nfs/dbraw/zinc/69/48/91/598694891.db2.gz OFZFIFIPCJEKRP-LLVKDONJSA-N -1 3 387.805 0.083 20 0 GCADHM CN(CCn1cccn1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736815811 598695901 /nfs/dbraw/zinc/69/59/01/598695901.db2.gz YDKKCNMIRLJMLV-UHFFFAOYSA-N -1 3 378.400 0.603 20 0 GCADHM CN(CCn1cccn1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736815811 598695904 /nfs/dbraw/zinc/69/59/04/598695904.db2.gz YDKKCNMIRLJMLV-UHFFFAOYSA-N -1 3 378.400 0.603 20 0 GCADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736188954 598696293 /nfs/dbraw/zinc/69/62/93/598696293.db2.gz MYDMCMSISNMGCW-SKDRFNHKSA-N -1 3 399.473 0.931 20 0 GCADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736188954 598696294 /nfs/dbraw/zinc/69/62/94/598696294.db2.gz MYDMCMSISNMGCW-SKDRFNHKSA-N -1 3 399.473 0.931 20 0 GCADHM CCOc1cc(C(=O)n2ncc(-c3nnn[n-]3)c2N)ccc1OCC(=O)OC ZINC000736626439 598700293 /nfs/dbraw/zinc/70/02/93/598700293.db2.gz SYHGMRZUWFSQEI-UHFFFAOYSA-N -1 3 387.356 0.284 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](n2ccnc2)C1 ZINC000738040067 598700841 /nfs/dbraw/zinc/70/08/41/598700841.db2.gz RQMNELZODMDNJO-HNNXBMFYSA-N -1 3 380.412 0.657 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](n2ccnc2)C1 ZINC000738040067 598700842 /nfs/dbraw/zinc/70/08/42/598700842.db2.gz RQMNELZODMDNJO-HNNXBMFYSA-N -1 3 380.412 0.657 20 0 GCADHM O=C1[C@@H](N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCN1CC(F)(F)F ZINC000738289656 598701033 /nfs/dbraw/zinc/70/10/33/598701033.db2.gz LBLNPMMFUHWJFI-LBPRGKRZSA-N -1 3 396.377 0.547 20 0 GCADHM O=C1[C@@H](N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCN1CC(F)(F)F ZINC000738289656 598701035 /nfs/dbraw/zinc/70/10/35/598701035.db2.gz LBLNPMMFUHWJFI-LBPRGKRZSA-N -1 3 396.377 0.547 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nnn[n-]2)CC1)NCc1cccnc1 ZINC000737884036 598702601 /nfs/dbraw/zinc/70/26/01/598702601.db2.gz SEXQYAGHBDBWPI-UHFFFAOYSA-N -1 3 378.440 0.700 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nn[n-]n2)CC1)NCc1cccnc1 ZINC000737884036 598702602 /nfs/dbraw/zinc/70/26/02/598702602.db2.gz SEXQYAGHBDBWPI-UHFFFAOYSA-N -1 3 378.440 0.700 20 0 GCADHM O=C(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737862900 598702706 /nfs/dbraw/zinc/70/27/06/598702706.db2.gz PFNISMNYXJPCFQ-HNNXBMFYSA-N -1 3 390.469 0.134 20 0 GCADHM O=C(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737862900 598702707 /nfs/dbraw/zinc/70/27/07/598702707.db2.gz PFNISMNYXJPCFQ-HNNXBMFYSA-N -1 3 390.469 0.134 20 0 GCADHM COCCN(C)S(=O)(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736989497 598709209 /nfs/dbraw/zinc/70/92/09/598709209.db2.gz COYVYRCKEXSBBL-UHFFFAOYSA-N -1 3 396.473 0.533 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000738353950 598711544 /nfs/dbraw/zinc/71/15/44/598711544.db2.gz FSFXBMLYGQLFFZ-CYBMUJFWSA-N -1 3 375.414 0.153 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000738353950 598711546 /nfs/dbraw/zinc/71/15/46/598711546.db2.gz FSFXBMLYGQLFFZ-CYBMUJFWSA-N -1 3 375.414 0.153 20 0 GCADHM Nc1cc(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc(Cl)n1 ZINC000737775166 598711601 /nfs/dbraw/zinc/71/16/01/598711601.db2.gz ZZNWBOMDLZQKRM-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Nc1cc(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc(Cl)n1 ZINC000737775166 598711603 /nfs/dbraw/zinc/71/16/03/598711603.db2.gz ZZNWBOMDLZQKRM-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Cc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)C2 ZINC000737533749 598712831 /nfs/dbraw/zinc/71/28/31/598712831.db2.gz IBEZTFKGGOQIJG-UHFFFAOYSA-N -1 3 380.821 0.625 20 0 GCADHM Cc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)C2 ZINC000737533749 598712833 /nfs/dbraw/zinc/71/28/33/598712833.db2.gz IBEZTFKGGOQIJG-UHFFFAOYSA-N -1 3 380.821 0.625 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cn1 ZINC000736876996 598715088 /nfs/dbraw/zinc/71/50/88/598715088.db2.gz GNHJWLFCFHEESD-SNVBAGLBSA-N -1 3 395.379 0.805 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cn1 ZINC000736876996 598715090 /nfs/dbraw/zinc/71/50/90/598715090.db2.gz GNHJWLFCFHEESD-SNVBAGLBSA-N -1 3 395.379 0.805 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736885157 598715639 /nfs/dbraw/zinc/71/56/39/598715639.db2.gz YMZBULWLIGLQIT-LLVKDONJSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736885157 598715642 /nfs/dbraw/zinc/71/56/42/598715642.db2.gz YMZBULWLIGLQIT-LLVKDONJSA-N -1 3 393.473 0.651 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737130403 598715889 /nfs/dbraw/zinc/71/58/89/598715889.db2.gz WWMOUXVYXHMFNL-HNNXBMFYSA-N -1 3 398.427 0.715 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737130403 598715891 /nfs/dbraw/zinc/71/58/91/598715891.db2.gz WWMOUXVYXHMFNL-HNNXBMFYSA-N -1 3 398.427 0.715 20 0 GCADHM Cn1c(COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc(=O)n(C)c1=O ZINC000737594175 598715957 /nfs/dbraw/zinc/71/59/57/598715957.db2.gz WMJADHJXILPETH-UHFFFAOYSA-N -1 3 388.409 0.100 20 0 GCADHM Cn1c(COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc(=O)n(C)c1=O ZINC000737594175 598715959 /nfs/dbraw/zinc/71/59/59/598715959.db2.gz WMJADHJXILPETH-UHFFFAOYSA-N -1 3 388.409 0.100 20 0 GCADHM Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)on1 ZINC000737269826 598719211 /nfs/dbraw/zinc/71/92/11/598719211.db2.gz BWHYOJYUAGHETK-QGZVFWFLSA-N -1 3 396.367 0.569 20 0 GCADHM Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)on1 ZINC000737269826 598719213 /nfs/dbraw/zinc/71/92/13/598719213.db2.gz BWHYOJYUAGHETK-QGZVFWFLSA-N -1 3 396.367 0.569 20 0 GCADHM Cc1ccc(S(=O)(=O)n2ccc(C(=O)n3ncc(-c4nnn[n-]4)c3N)c2)cc1 ZINC000737370169 598719805 /nfs/dbraw/zinc/71/98/05/598719805.db2.gz OBKYSRKZBMRUHK-UHFFFAOYSA-N -1 3 398.408 0.681 20 0 GCADHM O=C([C@H](O)c1cccnc1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737780605 598720906 /nfs/dbraw/zinc/72/09/06/598720906.db2.gz DCKIAOZSDGWYMO-MRXNPFEDSA-N -1 3 383.387 0.783 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736191262 598723098 /nfs/dbraw/zinc/72/30/98/598723098.db2.gz YOLVLLLNOZOBSV-ABAIWWIYSA-N -1 3 397.395 0.716 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736191262 598723100 /nfs/dbraw/zinc/72/31/00/598723100.db2.gz YOLVLLLNOZOBSV-ABAIWWIYSA-N -1 3 397.395 0.716 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737611373 598723566 /nfs/dbraw/zinc/72/35/66/598723566.db2.gz VWTSBZYMQMXOLL-HNNXBMFYSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737611373 598723567 /nfs/dbraw/zinc/72/35/67/598723567.db2.gz VWTSBZYMQMXOLL-HNNXBMFYSA-N -1 3 381.396 0.882 20 0 GCADHM O=C(OCc1ccc(F)cc1-c1nnn[n-]1)C1CCC2(CC1)NC(=O)NC2=O ZINC000738315766 598724098 /nfs/dbraw/zinc/72/40/98/598724098.db2.gz KTZPJQOLAJEMEP-UHFFFAOYSA-N -1 3 388.359 0.817 20 0 GCADHM O=C(OCc1ccc(F)cc1-c1nn[n-]n1)C1CCC2(CC1)NC(=O)NC2=O ZINC000738315766 598724099 /nfs/dbraw/zinc/72/40/99/598724099.db2.gz KTZPJQOLAJEMEP-UHFFFAOYSA-N -1 3 388.359 0.817 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)CC1 ZINC000737792376 598725241 /nfs/dbraw/zinc/72/52/41/598725241.db2.gz PKURFWXWDMKROU-CQSZACIVSA-N -1 3 376.442 0.093 20 0 GCADHM Cn1ccnc1CNC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737616517 598726053 /nfs/dbraw/zinc/72/60/53/598726053.db2.gz SMUFTLTZOXKZLG-UHFFFAOYSA-N -1 3 381.444 0.628 20 0 GCADHM CS(=O)(=O)NCCOC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737169164 598726562 /nfs/dbraw/zinc/72/65/62/598726562.db2.gz OQTARTNWTPHLNI-UHFFFAOYSA-N -1 3 383.430 0.508 20 0 GCADHM CS(=O)(=O)NCCOC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737169164 598726563 /nfs/dbraw/zinc/72/65/63/598726563.db2.gz OQTARTNWTPHLNI-UHFFFAOYSA-N -1 3 383.430 0.508 20 0 GCADHM COCCOCCCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737005529 598727268 /nfs/dbraw/zinc/72/72/68/598727268.db2.gz HQUOAPRYEQHHHX-UHFFFAOYSA-N -1 3 390.448 0.146 20 0 GCADHM COCCOCCCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737005529 598727269 /nfs/dbraw/zinc/72/72/69/598727269.db2.gz HQUOAPRYEQHHHX-UHFFFAOYSA-N -1 3 390.448 0.146 20 0 GCADHM Cn1ccnc1CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737615682 598727946 /nfs/dbraw/zinc/72/79/46/598727946.db2.gz KGGZMQRXTBRQHJ-UHFFFAOYSA-N -1 3 385.407 0.771 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)CC(=O)N1CCOCC1 ZINC000736638047 598729515 /nfs/dbraw/zinc/72/95/15/598729515.db2.gz XJSVPJXXKHLXJE-UHFFFAOYSA-N -1 3 389.416 0.588 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)CC(=O)N1CCOCC1 ZINC000736638047 598729516 /nfs/dbraw/zinc/72/95/16/598729516.db2.gz XJSVPJXXKHLXJE-UHFFFAOYSA-N -1 3 389.416 0.588 20 0 GCADHM Cc1cc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)ccc1C(N)=O ZINC000737274400 598730739 /nfs/dbraw/zinc/73/07/39/598730739.db2.gz KINSEOFSIZCSMY-UHFFFAOYSA-N -1 3 381.400 0.903 20 0 GCADHM Cc1cc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)ccc1C(N)=O ZINC000737274400 598730740 /nfs/dbraw/zinc/73/07/40/598730740.db2.gz KINSEOFSIZCSMY-UHFFFAOYSA-N -1 3 381.400 0.903 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736881667 598732262 /nfs/dbraw/zinc/73/22/62/598732262.db2.gz GNVGGGCJLVHERM-UHFFFAOYSA-N -1 3 397.436 0.229 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736881667 598732264 /nfs/dbraw/zinc/73/22/64/598732264.db2.gz GNVGGGCJLVHERM-UHFFFAOYSA-N -1 3 397.436 0.229 20 0 GCADHM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736222976 598732866 /nfs/dbraw/zinc/73/28/66/598732866.db2.gz LIRPCKVXABJFPV-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736222976 598732867 /nfs/dbraw/zinc/73/28/67/598732867.db2.gz LIRPCKVXABJFPV-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM CN(C)C(=O)CNC(=S)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736747064 598733387 /nfs/dbraw/zinc/73/33/87/598733387.db2.gz MQWDCOQIJAUPPP-UHFFFAOYSA-N -1 3 389.485 0.673 20 0 GCADHM CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000736871667 598734213 /nfs/dbraw/zinc/73/42/13/598734213.db2.gz TWBYVVUMHLMAFP-SECBINFHSA-N -1 3 391.819 0.443 20 0 GCADHM CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000736871667 598734214 /nfs/dbraw/zinc/73/42/14/598734214.db2.gz TWBYVVUMHLMAFP-SECBINFHSA-N -1 3 391.819 0.443 20 0 GCADHM O=C(CN1Cc2ccccc2C1=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737884717 598738967 /nfs/dbraw/zinc/73/89/67/598738967.db2.gz QHXARFSGEIFSBM-UHFFFAOYSA-N -1 3 379.380 0.873 20 0 GCADHM O=C(CN1Cc2ccccc2C1=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737884717 598738968 /nfs/dbraw/zinc/73/89/68/598738968.db2.gz QHXARFSGEIFSBM-UHFFFAOYSA-N -1 3 379.380 0.873 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CN1C(=O)CCc2ccccc21 ZINC000737769670 598740563 /nfs/dbraw/zinc/74/05/63/598740563.db2.gz BPEMUCSZMXQMEH-UHFFFAOYSA-N -1 3 382.384 0.168 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CN1C(=O)CCc2ccccc21 ZINC000737769670 598740564 /nfs/dbraw/zinc/74/05/64/598740564.db2.gz BPEMUCSZMXQMEH-UHFFFAOYSA-N -1 3 382.384 0.168 20 0 GCADHM CCc1nc(CN2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2)no1 ZINC000736703873 598742917 /nfs/dbraw/zinc/74/29/17/598742917.db2.gz HGJKGAHQOHERHA-GFCCVEGCSA-N -1 3 383.416 0.602 20 0 GCADHM CCc1nc(CN2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2)no1 ZINC000736703873 598742918 /nfs/dbraw/zinc/74/29/18/598742918.db2.gz HGJKGAHQOHERHA-GFCCVEGCSA-N -1 3 383.416 0.602 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737444698 598749126 /nfs/dbraw/zinc/74/91/26/598749126.db2.gz ONWNSXSURKGCDK-INIZCTEOSA-N -1 3 382.428 0.982 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737444698 598749128 /nfs/dbraw/zinc/74/91/28/598749128.db2.gz ONWNSXSURKGCDK-INIZCTEOSA-N -1 3 382.428 0.982 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCN1CC(F)(F)F ZINC000738297701 598749626 /nfs/dbraw/zinc/74/96/26/598749626.db2.gz UVSNUGJGMVTAHM-JTQLQIEISA-N -1 3 390.347 0.308 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCN1CC(F)(F)F ZINC000738297701 598749629 /nfs/dbraw/zinc/74/96/29/598749629.db2.gz UVSNUGJGMVTAHM-JTQLQIEISA-N -1 3 390.347 0.308 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000738115460 598749826 /nfs/dbraw/zinc/74/98/26/598749826.db2.gz BRIHMPCLIOBPRI-LLVKDONJSA-N -1 3 383.334 0.829 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000738115460 598749827 /nfs/dbraw/zinc/74/98/27/598749827.db2.gz BRIHMPCLIOBPRI-LLVKDONJSA-N -1 3 383.334 0.829 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1 ZINC000736105904 598750283 /nfs/dbraw/zinc/75/02/83/598750283.db2.gz PSQNFMDMVIHJQD-GFCCVEGCSA-N -1 3 393.407 0.740 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1 ZINC000736105904 598750285 /nfs/dbraw/zinc/75/02/85/598750285.db2.gz PSQNFMDMVIHJQD-GFCCVEGCSA-N -1 3 393.407 0.740 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737444677 598750951 /nfs/dbraw/zinc/75/09/51/598750951.db2.gz OGFLRYFIGFBGEB-HNNXBMFYSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737444677 598750952 /nfs/dbraw/zinc/75/09/52/598750952.db2.gz OGFLRYFIGFBGEB-HNNXBMFYSA-N -1 3 396.411 0.238 20 0 GCADHM CC[C@@]1(C(C)C)NC(=O)N(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736395235 598756224 /nfs/dbraw/zinc/75/62/24/598756224.db2.gz HZQIWNJJIMIISG-SFHVURJKSA-N -1 3 385.428 0.840 20 0 GCADHM CC[C@@]1(C(C)C)NC(=O)N(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736395235 598756226 /nfs/dbraw/zinc/75/62/26/598756226.db2.gz HZQIWNJJIMIISG-SFHVURJKSA-N -1 3 385.428 0.840 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736037171 598756928 /nfs/dbraw/zinc/75/69/28/598756928.db2.gz FASDCEQJWKGPSA-VIFPVBQESA-N -1 3 386.865 0.824 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736037171 598756929 /nfs/dbraw/zinc/75/69/29/598756929.db2.gz FASDCEQJWKGPSA-VIFPVBQESA-N -1 3 386.865 0.824 20 0 GCADHM CC[C@@]1(C(C)C)NC(=O)N(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736397821 598757128 /nfs/dbraw/zinc/75/71/28/598757128.db2.gz VZITVFDCHAOVLM-UGSOOPFHSA-N -1 3 388.428 0.963 20 0 GCADHM CN(CCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)CC(F)(F)F ZINC000736799573 598757327 /nfs/dbraw/zinc/75/73/27/598757327.db2.gz AEFRLGKXJDRMMK-UHFFFAOYSA-N -1 3 382.343 0.778 20 0 GCADHM CN(CCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)CC(F)(F)F ZINC000736799573 598757329 /nfs/dbraw/zinc/75/73/29/598757329.db2.gz AEFRLGKXJDRMMK-UHFFFAOYSA-N -1 3 382.343 0.778 20 0 GCADHM CC[C@]1(C(C)C)NC(=O)N(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736397818 598757431 /nfs/dbraw/zinc/75/74/31/598757431.db2.gz VZITVFDCHAOVLM-FZKQIMNGSA-N -1 3 388.428 0.963 20 0 GCADHM COCCc1noc(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC000737015696 598759024 /nfs/dbraw/zinc/75/90/24/598759024.db2.gz ZCFYWRVAJGYUGC-UHFFFAOYSA-N -1 3 388.407 0.900 20 0 GCADHM COCCc1noc(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC000737015696 598759025 /nfs/dbraw/zinc/75/90/25/598759025.db2.gz ZCFYWRVAJGYUGC-UHFFFAOYSA-N -1 3 388.407 0.900 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000737290349 598761921 /nfs/dbraw/zinc/76/19/21/598761921.db2.gz UGEGSJBQNGJDCO-SNVBAGLBSA-N -1 3 380.430 0.005 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000737290349 598761922 /nfs/dbraw/zinc/76/19/22/598761922.db2.gz UGEGSJBQNGJDCO-SNVBAGLBSA-N -1 3 380.430 0.005 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCN1C(=O)CSC1=O ZINC000736184486 598762114 /nfs/dbraw/zinc/76/21/14/598762114.db2.gz KRPOXKVXBNENKK-VIFPVBQESA-N -1 3 376.398 0.446 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCN1C(=O)CSC1=O ZINC000736184486 598762115 /nfs/dbraw/zinc/76/21/15/598762115.db2.gz KRPOXKVXBNENKK-VIFPVBQESA-N -1 3 376.398 0.446 20 0 GCADHM COc1c(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c(C)nn1C ZINC000737023393 598765732 /nfs/dbraw/zinc/76/57/32/598765732.db2.gz MMVZQPSECOSJHX-UHFFFAOYSA-N -1 3 383.416 0.275 20 0 GCADHM COc1c(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c(C)nn1C ZINC000737023393 598765734 /nfs/dbraw/zinc/76/57/34/598765734.db2.gz MMVZQPSECOSJHX-UHFFFAOYSA-N -1 3 383.416 0.275 20 0 GCADHM O=S(=O)(NCCN1CCSCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738337763 598777651 /nfs/dbraw/zinc/77/76/51/598777651.db2.gz GGMJJMAEYBARME-UHFFFAOYSA-N -1 3 388.906 0.847 20 0 GCADHM O=S(=O)(NCCN1CCSCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738337763 598777653 /nfs/dbraw/zinc/77/76/53/598777653.db2.gz GGMJJMAEYBARME-UHFFFAOYSA-N -1 3 388.906 0.847 20 0 GCADHM O=S(=O)(NCCN1CCSCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738337836 598777711 /nfs/dbraw/zinc/77/77/11/598777711.db2.gz HIQYQQBCXKGPLP-UHFFFAOYSA-N -1 3 388.906 0.847 20 0 GCADHM O=S(=O)(NCCN1CCSCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738337836 598777713 /nfs/dbraw/zinc/77/77/13/598777713.db2.gz HIQYQQBCXKGPLP-UHFFFAOYSA-N -1 3 388.906 0.847 20 0 GCADHM CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735589928 598783370 /nfs/dbraw/zinc/78/33/70/598783370.db2.gz RCHLIAAQPSXPCQ-LLVKDONJSA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)(C)[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735589928 598783371 /nfs/dbraw/zinc/78/33/71/598783371.db2.gz RCHLIAAQPSXPCQ-LLVKDONJSA-N -1 3 398.370 0.930 20 0 GCADHM O=C(NCCN1CCSCC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738074874 598784618 /nfs/dbraw/zinc/78/46/18/598784618.db2.gz LFRFSGADPKFTMY-UHFFFAOYSA-N -1 3 395.876 0.624 20 0 GCADHM O=C(NCCN1CCSCC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738074874 598784619 /nfs/dbraw/zinc/78/46/19/598784619.db2.gz LFRFSGADPKFTMY-UHFFFAOYSA-N -1 3 395.876 0.624 20 0 GCADHM CN(C)C(=O)c1ccc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nc1 ZINC000736753084 598785766 /nfs/dbraw/zinc/78/57/66/598785766.db2.gz DSYXMLYRMKSOKY-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM CN(C)C(=O)c1ccc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nc1 ZINC000736753084 598785767 /nfs/dbraw/zinc/78/57/67/598785767.db2.gz DSYXMLYRMKSOKY-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OC[C@H]1COCCO1 ZINC000737033027 598787842 /nfs/dbraw/zinc/78/78/42/598787842.db2.gz MPTJUCFRJBKURF-CYBMUJFWSA-N -1 3 378.385 0.993 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OC[C@H]1COCCO1 ZINC000737033027 598787844 /nfs/dbraw/zinc/78/78/44/598787844.db2.gz MPTJUCFRJBKURF-CYBMUJFWSA-N -1 3 378.385 0.993 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737199789 598790580 /nfs/dbraw/zinc/79/05/80/598790580.db2.gz PJAUILRULULETI-JTQLQIEISA-N -1 3 378.396 0.931 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737199789 598790581 /nfs/dbraw/zinc/79/05/81/598790581.db2.gz PJAUILRULULETI-JTQLQIEISA-N -1 3 378.396 0.931 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737197668 598790697 /nfs/dbraw/zinc/79/06/97/598790697.db2.gz BPCYVKCUYLGVAJ-UHFFFAOYSA-N -1 3 378.396 0.712 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737197668 598790699 /nfs/dbraw/zinc/79/06/99/598790699.db2.gz BPCYVKCUYLGVAJ-UHFFFAOYSA-N -1 3 378.396 0.712 20 0 GCADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN(CCn3ccccc3=O)CC2)n1 ZINC000737243775 598794500 /nfs/dbraw/zinc/79/45/00/598794500.db2.gz BGRDSWNLQIGMDU-UHFFFAOYSA-N -1 3 380.456 0.862 20 0 GCADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCN(CCn3ccccc3=O)CC2)n1 ZINC000737243775 598794501 /nfs/dbraw/zinc/79/45/01/598794501.db2.gz BGRDSWNLQIGMDU-UHFFFAOYSA-N -1 3 380.456 0.862 20 0 GCADHM CN(CCN1CCCC1=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736799366 598797150 /nfs/dbraw/zinc/79/71/50/598797150.db2.gz RYLIWOQOZKVLQS-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM CN(CCN1CCCC1=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736799366 598797151 /nfs/dbraw/zinc/79/71/51/598797151.db2.gz RYLIWOQOZKVLQS-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM O=C1C[C@@H](N2CCc3cncnc3C2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000738300997 598799550 /nfs/dbraw/zinc/79/95/50/598799550.db2.gz HOWVDWFJFTXXTK-OAHLLOKOSA-N -1 3 376.380 0.347 20 0 GCADHM O=C1C[C@@H](N2CCc3cncnc3C2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000738300997 598799551 /nfs/dbraw/zinc/79/95/51/598799551.db2.gz HOWVDWFJFTXXTK-OAHLLOKOSA-N -1 3 376.380 0.347 20 0 GCADHM CCCNC(=O)CNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736484102 598800368 /nfs/dbraw/zinc/80/03/68/598800368.db2.gz UEPJJXNXNUWQFZ-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM CCCNC(=O)CNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736484102 598800369 /nfs/dbraw/zinc/80/03/69/598800369.db2.gz UEPJJXNXNUWQFZ-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM CCOC(=O)c1sc(NC(=O)[C@@H](C)S(C)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000736605052 598802571 /nfs/dbraw/zinc/80/25/71/598802571.db2.gz CCSRRPXFHDFUCL-SSDOTTSWSA-N -1 3 387.443 0.785 20 0 GCADHM CCOC(=O)c1sc(NC(=O)[C@@H](C)S(C)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000736605052 598802572 /nfs/dbraw/zinc/80/25/72/598802572.db2.gz CCSRRPXFHDFUCL-SSDOTTSWSA-N -1 3 387.443 0.785 20 0 GCADHM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3nnn[n-]3)cn1)C2=O ZINC000736261626 598805653 /nfs/dbraw/zinc/80/56/53/598805653.db2.gz LCYJWEFYJWCBSE-BTDLBPIBSA-N -1 3 384.400 0.701 20 0 GCADHM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3nn[n-]n3)cn1)C2=O ZINC000736261626 598805654 /nfs/dbraw/zinc/80/56/54/598805654.db2.gz LCYJWEFYJWCBSE-BTDLBPIBSA-N -1 3 384.400 0.701 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737747463 598806085 /nfs/dbraw/zinc/80/60/85/598806085.db2.gz NFBPWRMWSFDYBZ-UHFFFAOYSA-N -1 3 397.370 0.863 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737747463 598806087 /nfs/dbraw/zinc/80/60/87/598806087.db2.gz NFBPWRMWSFDYBZ-UHFFFAOYSA-N -1 3 397.370 0.863 20 0 GCADHM CC(C)Oc1ccc(NC(=S)NCCNS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000820174829 607367238 /nfs/dbraw/zinc/36/72/38/607367238.db2.gz YXHSEOFESFNJKQ-UHFFFAOYSA-N -1 3 399.502 0.490 20 0 GCADHM CC(C)Oc1ccc(NC(=S)NCCNS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000820174829 607367239 /nfs/dbraw/zinc/36/72/39/607367239.db2.gz YXHSEOFESFNJKQ-UHFFFAOYSA-N -1 3 399.502 0.490 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736656206 598809607 /nfs/dbraw/zinc/80/96/07/598809607.db2.gz HMLFXRQZSIZGRT-VXGBXAGGSA-N -1 3 381.458 0.916 20 0 GCADHM O=C(COC(=O)c1ccnc(-n2cncn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415971 607367392 /nfs/dbraw/zinc/36/73/92/607367392.db2.gz BTPRQPDEGCWSSU-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM O=C(COC(=O)c1ccnc(-n2cncn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415971 607367394 /nfs/dbraw/zinc/36/73/94/607367394.db2.gz BTPRQPDEGCWSSU-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM CCN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000736520813 598819962 /nfs/dbraw/zinc/81/99/62/598819962.db2.gz COBWXBKOOLKWRH-DZGCQCFKSA-N -1 3 397.501 0.752 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)CSc1cc(-c2nnn[n-]2)ccn1 ZINC000736602524 598821278 /nfs/dbraw/zinc/82/12/78/598821278.db2.gz NBSXJWCOMKZXIY-UHFFFAOYSA-N -1 3 388.413 0.903 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)CSc1cc(-c2nn[n-]n2)ccn1 ZINC000736602524 598821280 /nfs/dbraw/zinc/82/12/80/598821280.db2.gz NBSXJWCOMKZXIY-UHFFFAOYSA-N -1 3 388.413 0.903 20 0 GCADHM COCCN(CCC(=O)OC)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736995629 598822577 /nfs/dbraw/zinc/82/25/77/598822577.db2.gz VHDKEDRAQAEBGJ-LBPRGKRZSA-N -1 3 377.401 0.672 20 0 GCADHM COCCN(CCC(=O)OC)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736995870 598822630 /nfs/dbraw/zinc/82/26/30/598822630.db2.gz ZLFCSWRMAUECAZ-GFCCVEGCSA-N -1 3 377.401 0.672 20 0 GCADHM COCCN(CCC(=O)OC)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736995870 598822631 /nfs/dbraw/zinc/82/26/31/598822631.db2.gz ZLFCSWRMAUECAZ-GFCCVEGCSA-N -1 3 377.401 0.672 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736164402 598823033 /nfs/dbraw/zinc/82/30/33/598823033.db2.gz OHDMRPRBBUKVIL-WOPDTQHZSA-N -1 3 381.458 0.914 20 0 GCADHM c1ccc(-c2nnn[n-]2)c(OCCN2CCO[C@@H](CNc3cccnn3)C2)c1 ZINC000738447915 599293352 /nfs/dbraw/zinc/29/33/52/599293352.db2.gz LFVWOWKGGMJXDV-AWEZNQCLSA-N -1 3 382.428 0.848 20 0 GCADHM c1ccc(-c2nn[n-]n2)c(OCCN2CCO[C@@H](CNc3cccnn3)C2)c1 ZINC000738447915 599293353 /nfs/dbraw/zinc/29/33/53/599293353.db2.gz LFVWOWKGGMJXDV-AWEZNQCLSA-N -1 3 382.428 0.848 20 0 GCADHM CC[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736408319 599293497 /nfs/dbraw/zinc/29/34/97/599293497.db2.gz SOLSYWLOFXNXJP-QWHCGFSZSA-N -1 3 377.474 0.899 20 0 GCADHM CC[C@H]1CN2CCCC[C@@H]2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736408319 599293498 /nfs/dbraw/zinc/29/34/98/599293498.db2.gz SOLSYWLOFXNXJP-QWHCGFSZSA-N -1 3 377.474 0.899 20 0 GCADHM CCc1nc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000736698384 599296375 /nfs/dbraw/zinc/29/63/75/599296375.db2.gz DPANASLRTJPUDN-CYBMUJFWSA-N -1 3 396.411 0.906 20 0 GCADHM CCc1nc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000736698384 599296376 /nfs/dbraw/zinc/29/63/76/599296376.db2.gz DPANASLRTJPUDN-CYBMUJFWSA-N -1 3 396.411 0.906 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000738100074 599297057 /nfs/dbraw/zinc/29/70/57/599297057.db2.gz KYTKRFXHTUWKNT-CQSZACIVSA-N -1 3 375.408 0.622 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000738100074 599297058 /nfs/dbraw/zinc/29/70/58/599297058.db2.gz KYTKRFXHTUWKNT-CQSZACIVSA-N -1 3 375.408 0.622 20 0 GCADHM CCOC(=O)N1CCC[C@@H](C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)C1 ZINC000736601379 599298930 /nfs/dbraw/zinc/29/89/30/599298930.db2.gz WFJZXMVOKJUPIZ-SECBINFHSA-N -1 3 392.445 0.976 20 0 GCADHM CCOC(=O)N1CCC[C@@H](C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)C1 ZINC000736601379 599298932 /nfs/dbraw/zinc/29/89/32/599298932.db2.gz WFJZXMVOKJUPIZ-SECBINFHSA-N -1 3 392.445 0.976 20 0 GCADHM CNC(=O)CN(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736873757 599299136 /nfs/dbraw/zinc/29/91/36/599299136.db2.gz LHSOLPKTLKWFCV-UHFFFAOYSA-N -1 3 377.474 0.813 20 0 GCADHM c1cc(-c2nn[n-]n2)cc(-c2nnc(CN3CC[C@H](N4CCOCC4)C3)o2)c1 ZINC000738405217 599299793 /nfs/dbraw/zinc/29/97/93/599299793.db2.gz NEUMTOGTETWOPF-HNNXBMFYSA-N -1 3 382.428 0.823 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000737296535 599302152 /nfs/dbraw/zinc/30/21/52/599302152.db2.gz KCHHWVSNBCMBQJ-CQSZACIVSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000737296535 599302155 /nfs/dbraw/zinc/30/21/55/599302155.db2.gz KCHHWVSNBCMBQJ-CQSZACIVSA-N -1 3 378.458 0.270 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000738328876 599303866 /nfs/dbraw/zinc/30/38/66/599303866.db2.gz GZQBWGMFQGQQFS-HNNXBMFYSA-N -1 3 378.458 0.103 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000738328876 599303869 /nfs/dbraw/zinc/30/38/69/599303869.db2.gz GZQBWGMFQGQQFS-HNNXBMFYSA-N -1 3 378.458 0.103 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736659394 599304625 /nfs/dbraw/zinc/30/46/25/599304625.db2.gz RMZIETYSWKMELY-UHFFFAOYSA-N -1 3 378.458 0.891 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736659394 599304627 /nfs/dbraw/zinc/30/46/27/599304627.db2.gz RMZIETYSWKMELY-UHFFFAOYSA-N -1 3 378.458 0.891 20 0 GCADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000736198256 599309405 /nfs/dbraw/zinc/30/94/05/599309405.db2.gz RPACFIBRMIFFCM-CQSZACIVSA-N -1 3 383.456 0.694 20 0 GCADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000736198256 599309408 /nfs/dbraw/zinc/30/94/08/599309408.db2.gz RPACFIBRMIFFCM-CQSZACIVSA-N -1 3 383.456 0.694 20 0 GCADHM CC[C@@H](C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)N1CCCC1=O ZINC000820843380 599311789 /nfs/dbraw/zinc/31/17/89/599311789.db2.gz XHJBVMAKDVBXSD-AWEZNQCLSA-N -1 3 384.444 0.311 20 0 GCADHM CC[C@@H](C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)N1CCCC1=O ZINC000820843380 599311792 /nfs/dbraw/zinc/31/17/92/599311792.db2.gz XHJBVMAKDVBXSD-AWEZNQCLSA-N -1 3 384.444 0.311 20 0 GCADHM CC[C@@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCCC1=O ZINC000820842900 599315982 /nfs/dbraw/zinc/31/59/82/599315982.db2.gz QXTAXYCZNQRMCY-AWEZNQCLSA-N -1 3 384.444 0.311 20 0 GCADHM CC[C@@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCCC1=O ZINC000820842900 599315984 /nfs/dbraw/zinc/31/59/84/599315984.db2.gz QXTAXYCZNQRMCY-AWEZNQCLSA-N -1 3 384.444 0.311 20 0 GCADHM CC(C)(C)C(=O)Cn1cc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)nn1 ZINC000735585823 599317981 /nfs/dbraw/zinc/31/79/81/599317981.db2.gz GHYCCIJIHFHNIS-UHFFFAOYSA-N -1 3 398.431 0.310 20 0 GCADHM CC(C)(C)C(=O)Cn1cc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)nn1 ZINC000735585823 599317983 /nfs/dbraw/zinc/31/79/83/599317983.db2.gz GHYCCIJIHFHNIS-UHFFFAOYSA-N -1 3 398.431 0.310 20 0 GCADHM CC(C)(C)C(=O)Nc1nc(CC(=O)n2ncc(-c3nnn[n-]3)c2N)cs1 ZINC000819899083 599318077 /nfs/dbraw/zinc/31/80/77/599318077.db2.gz NBHZTKLUNWCKJZ-UHFFFAOYSA-N -1 3 375.418 0.969 20 0 GCADHM CCN1CCO[C@@H](C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)C1 ZINC000736569872 599318313 /nfs/dbraw/zinc/31/83/13/599318313.db2.gz UYDIIVPMAWTQGL-OAHLLOKOSA-N -1 3 389.435 0.375 20 0 GCADHM CCN1CCO[C@@H](C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC000736569872 599318315 /nfs/dbraw/zinc/31/83/15/599318315.db2.gz UYDIIVPMAWTQGL-OAHLLOKOSA-N -1 3 389.435 0.375 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821663729 599323156 /nfs/dbraw/zinc/32/31/56/599323156.db2.gz LKVCYEORUFAHQM-JTQLQIEISA-N -1 3 391.413 0.276 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820445836 599324878 /nfs/dbraw/zinc/32/48/78/599324878.db2.gz RESYEBIDKLHFHR-NSHDSACASA-N -1 3 397.424 0.882 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820445836 599324881 /nfs/dbraw/zinc/32/48/81/599324881.db2.gz RESYEBIDKLHFHR-NSHDSACASA-N -1 3 397.424 0.882 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)O[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737932626 599336042 /nfs/dbraw/zinc/33/60/42/599336042.db2.gz ZYFDZUSRWNAJOF-NSHDSACASA-N -1 3 385.302 0.952 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)O[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737932626 599336048 /nfs/dbraw/zinc/33/60/48/599336048.db2.gz ZYFDZUSRWNAJOF-NSHDSACASA-N -1 3 385.302 0.952 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000822912273 599336655 /nfs/dbraw/zinc/33/66/55/599336655.db2.gz UOIBOLGKBLSDMF-UHFFFAOYSA-N -1 3 396.860 0.763 20 0 GCADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000736197302 599337952 /nfs/dbraw/zinc/33/79/52/599337952.db2.gz MSXNVYSYJOZPTI-ZDUSSCGKSA-N -1 3 397.439 0.221 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC000821663945 599342721 /nfs/dbraw/zinc/34/27/21/599342721.db2.gz VKZHQZXXKPTOIJ-UHFFFAOYSA-N -1 3 382.333 0.143 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC000821663945 599342723 /nfs/dbraw/zinc/34/27/23/599342723.db2.gz VKZHQZXXKPTOIJ-UHFFFAOYSA-N -1 3 382.333 0.143 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000823566943 599343697 /nfs/dbraw/zinc/34/36/97/599343697.db2.gz LKHWJXBPTOUYHE-UHFFFAOYSA-N -1 3 393.404 0.646 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000820293798 599344263 /nfs/dbraw/zinc/34/42/63/599344263.db2.gz OHGNHDINSFUYEL-MRVPVSSYSA-N -1 3 393.878 0.574 20 0 GCADHM CS(=O)(=O)C1(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000826222395 607370605 /nfs/dbraw/zinc/37/06/05/607370605.db2.gz VGIREDDPYJIPQQ-UHFFFAOYSA-N -1 3 378.410 0.950 20 0 GCADHM CS(=O)(=O)C1(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000826222395 607370607 /nfs/dbraw/zinc/37/06/07/607370607.db2.gz VGIREDDPYJIPQQ-UHFFFAOYSA-N -1 3 378.410 0.950 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000822146493 599358581 /nfs/dbraw/zinc/35/85/81/599358581.db2.gz YGGNCIZQPXWOAB-CQSZACIVSA-N -1 3 392.485 0.518 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000822146493 599358585 /nfs/dbraw/zinc/35/85/85/599358585.db2.gz YGGNCIZQPXWOAB-CQSZACIVSA-N -1 3 392.485 0.518 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000822222872 599358737 /nfs/dbraw/zinc/35/87/37/599358737.db2.gz WRPKZNHKZXBCTK-CQSZACIVSA-N -1 3 392.485 0.518 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000822222872 599358739 /nfs/dbraw/zinc/35/87/39/599358739.db2.gz WRPKZNHKZXBCTK-CQSZACIVSA-N -1 3 392.485 0.518 20 0 GCADHM CCSCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736667589 599363690 /nfs/dbraw/zinc/36/36/90/599363690.db2.gz VXNLINVFHDBGFH-UHFFFAOYSA-N -1 3 382.515 0.926 20 0 GCADHM CCSCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736667589 599363691 /nfs/dbraw/zinc/36/36/91/599363691.db2.gz VXNLINVFHDBGFH-UHFFFAOYSA-N -1 3 382.515 0.926 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737754712 599365060 /nfs/dbraw/zinc/36/50/60/599365060.db2.gz ZHEIHPFRRWQTEO-UHFFFAOYSA-N -1 3 395.379 0.099 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737754712 599365063 /nfs/dbraw/zinc/36/50/63/599365063.db2.gz ZHEIHPFRRWQTEO-UHFFFAOYSA-N -1 3 395.379 0.099 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1CN1CCOCC1 ZINC000823600683 599367789 /nfs/dbraw/zinc/36/77/89/599367789.db2.gz KOBJDGSWOJDQTR-CYBMUJFWSA-N -1 3 396.448 0.491 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1CN1CCOCC1 ZINC000823600683 599367791 /nfs/dbraw/zinc/36/77/91/599367791.db2.gz KOBJDGSWOJDQTR-CYBMUJFWSA-N -1 3 396.448 0.491 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821692496 599370569 /nfs/dbraw/zinc/37/05/69/599370569.db2.gz ZLHLOUJJPGMYNC-LLVKDONJSA-N -1 3 385.421 0.679 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825034718 607371744 /nfs/dbraw/zinc/37/17/44/607371744.db2.gz NYMMNIFVLMHQPM-LBPRGKRZSA-N -1 3 375.410 0.904 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825034718 607371746 /nfs/dbraw/zinc/37/17/46/607371746.db2.gz NYMMNIFVLMHQPM-LBPRGKRZSA-N -1 3 375.410 0.904 20 0 GCADHM COC[C@@]1(C)NC(=O)N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1=O ZINC000821683961 599383872 /nfs/dbraw/zinc/38/38/72/599383872.db2.gz OLDQCLRVFAOHIO-MRXNPFEDSA-N -1 3 384.356 0.374 20 0 GCADHM COC[C@@]1(C)NC(=O)N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1=O ZINC000821683961 599383875 /nfs/dbraw/zinc/38/38/75/599383875.db2.gz OLDQCLRVFAOHIO-MRXNPFEDSA-N -1 3 384.356 0.374 20 0 GCADHM CCOc1ccc(-n2ncc(C(=O)Nc3ccncc3-c3nnn[n-]3)c2C)nn1 ZINC000736633582 599386689 /nfs/dbraw/zinc/38/66/89/599386689.db2.gz ASFWJTISTDVUPW-UHFFFAOYSA-N -1 3 392.383 0.619 20 0 GCADHM CCOc1ccc(-n2ncc(C(=O)Nc3ccncc3-c3nn[n-]n3)c2C)nn1 ZINC000736633582 599386691 /nfs/dbraw/zinc/38/66/91/599386691.db2.gz ASFWJTISTDVUPW-UHFFFAOYSA-N -1 3 392.383 0.619 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000737924571 599387010 /nfs/dbraw/zinc/38/70/10/599387010.db2.gz IGGQZTSYXXNVRB-CQSZACIVSA-N -1 3 385.405 0.890 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000737924571 599387013 /nfs/dbraw/zinc/38/70/13/599387013.db2.gz IGGQZTSYXXNVRB-CQSZACIVSA-N -1 3 385.405 0.890 20 0 GCADHM NC(CN1CCOCC1)=NOCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822890050 599388367 /nfs/dbraw/zinc/38/83/67/599388367.db2.gz LCCXJUMEBQXOIA-UHFFFAOYSA-N -1 3 385.388 0.247 20 0 GCADHM NC(CN1CCOCC1)=NOCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822890050 599388369 /nfs/dbraw/zinc/38/83/69/599388369.db2.gz LCCXJUMEBQXOIA-UHFFFAOYSA-N -1 3 385.388 0.247 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000736170706 599390847 /nfs/dbraw/zinc/39/08/47/599390847.db2.gz RLOCIKIENXTPLM-SRVKXCTJSA-N -1 3 379.442 0.668 20 0 GCADHM CC1N=NC(=S)N1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000822514589 599397403 /nfs/dbraw/zinc/39/74/03/599397403.db2.gz FTUXTAPHUDAHAN-CQSZACIVSA-N -1 3 399.484 0.841 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826223857 607373454 /nfs/dbraw/zinc/37/34/54/607373454.db2.gz CNDUEXALECJQCH-UHFFFAOYSA-N -1 3 376.350 0.903 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826223857 607373456 /nfs/dbraw/zinc/37/34/56/607373456.db2.gz CNDUEXALECJQCH-UHFFFAOYSA-N -1 3 376.350 0.903 20 0 GCADHM COCC(=O)Nc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821680436 599412097 /nfs/dbraw/zinc/41/20/97/599412097.db2.gz JBZNZIKJWVKLAH-LLVKDONJSA-N -1 3 383.416 0.802 20 0 GCADHM COCC(=O)Nc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821680436 599412099 /nfs/dbraw/zinc/41/20/99/599412099.db2.gz JBZNZIKJWVKLAH-LLVKDONJSA-N -1 3 383.416 0.802 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820658622 599417199 /nfs/dbraw/zinc/41/71/99/599417199.db2.gz UKFHJVJYGJRCPH-ABAIWWIYSA-N -1 3 395.427 0.593 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820658622 599417200 /nfs/dbraw/zinc/41/72/00/599417200.db2.gz UKFHJVJYGJRCPH-ABAIWWIYSA-N -1 3 395.427 0.593 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)NCc3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000822690446 599418170 /nfs/dbraw/zinc/41/81/70/599418170.db2.gz YYYKQTBMVUUWJM-AWEZNQCLSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)NCc3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000822690446 599418172 /nfs/dbraw/zinc/41/81/72/599418172.db2.gz YYYKQTBMVUUWJM-AWEZNQCLSA-N -1 3 395.427 0.595 20 0 GCADHM CCN(CCCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000821207529 599423341 /nfs/dbraw/zinc/42/33/41/599423341.db2.gz PNTNGUPQCIZRMZ-GFCCVEGCSA-N -1 3 395.489 0.899 20 0 GCADHM CCN(CCCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000821207529 599423343 /nfs/dbraw/zinc/42/33/43/599423343.db2.gz PNTNGUPQCIZRMZ-GFCCVEGCSA-N -1 3 395.489 0.899 20 0 GCADHM O=C(NCCOC[C@H]1CCOC1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823210577 599439945 /nfs/dbraw/zinc/43/99/45/599439945.db2.gz BNOJQVBWHAXJMI-ZDUSSCGKSA-N -1 3 376.417 0.598 20 0 GCADHM C[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)N1CCOCC1 ZINC000820367981 599444340 /nfs/dbraw/zinc/44/43/40/599444340.db2.gz WPVILTFMHOVDIU-ZIAGYGMSSA-N -1 3 389.460 0.654 20 0 GCADHM CCNS(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC000736578398 599447277 /nfs/dbraw/zinc/44/72/77/599447277.db2.gz SFHBBJNLHXHBGB-UHFFFAOYSA-N -1 3 391.461 0.011 20 0 GCADHM CCNS(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000736578398 599447279 /nfs/dbraw/zinc/44/72/79/599447279.db2.gz SFHBBJNLHXHBGB-UHFFFAOYSA-N -1 3 391.461 0.011 20 0 GCADHM Cc1oc(NC(=O)CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000737551852 599448668 /nfs/dbraw/zinc/44/86/68/599448668.db2.gz JZDXXLUHZHZHTB-MWLCHTKSSA-N -1 3 382.446 0.522 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736609832 599451187 /nfs/dbraw/zinc/45/11/87/599451187.db2.gz UCJTYDNHYCAEEE-OAHLLOKOSA-N -1 3 375.433 0.414 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1Cn1cncn1 ZINC000823211323 599452848 /nfs/dbraw/zinc/45/28/48/599452848.db2.gz NMIGRKYQACWXHK-CQSZACIVSA-N -1 3 383.416 0.711 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000823212073 599453529 /nfs/dbraw/zinc/45/35/29/599453529.db2.gz URMWXCBQKMIIGB-UHFFFAOYSA-N -1 3 385.428 0.509 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000735736641 599469791 /nfs/dbraw/zinc/46/97/91/599469791.db2.gz YGQJLVQAAVQKDE-SCLBCKFNSA-N -1 3 399.411 0.081 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000735736641 599469793 /nfs/dbraw/zinc/46/97/93/599469793.db2.gz YGQJLVQAAVQKDE-SCLBCKFNSA-N -1 3 399.411 0.081 20 0 GCADHM C[C@@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348601 599470401 /nfs/dbraw/zinc/47/04/01/599470401.db2.gz DUBKEEKTBONSSV-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348601 599470403 /nfs/dbraw/zinc/47/04/03/599470403.db2.gz DUBKEEKTBONSSV-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820359987 599473759 /nfs/dbraw/zinc/47/37/59/599473759.db2.gz WIWOPVHYVMCFCL-XHDPSFHLSA-N -1 3 395.427 0.766 20 0 GCADHM C[C@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820359987 599473760 /nfs/dbraw/zinc/47/37/60/599473760.db2.gz WIWOPVHYVMCFCL-XHDPSFHLSA-N -1 3 395.427 0.766 20 0 GCADHM CCCC(=O)NC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000821008311 599477727 /nfs/dbraw/zinc/47/77/27/599477727.db2.gz JGVVDSLNQHQZHP-UHFFFAOYSA-N -1 3 393.473 0.399 20 0 GCADHM CCCC(=O)NC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000821008311 599477728 /nfs/dbraw/zinc/47/77/28/599477728.db2.gz JGVVDSLNQHQZHP-UHFFFAOYSA-N -1 3 393.473 0.399 20 0 GCADHM O=S(=O)(c1c[nH]cn1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738347795 599481449 /nfs/dbraw/zinc/48/14/49/599481449.db2.gz OBJKOXCHEFEWJW-UHFFFAOYSA-N -1 3 378.393 0.240 20 0 GCADHM O=S(=O)(c1c[nH]cn1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738347529 599481716 /nfs/dbraw/zinc/48/17/16/599481716.db2.gz KAGWWJFFDVYCHN-UHFFFAOYSA-N -1 3 378.393 0.240 20 0 GCADHM O=S(=O)(c1c[nH]cn1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738347529 599481719 /nfs/dbraw/zinc/48/17/19/599481719.db2.gz KAGWWJFFDVYCHN-UHFFFAOYSA-N -1 3 378.393 0.240 20 0 GCADHM C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348429 599485908 /nfs/dbraw/zinc/48/59/08/599485908.db2.gz CHDVQGOLRQRRND-LLVKDONJSA-N -1 3 379.446 0.215 20 0 GCADHM C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348429 599485911 /nfs/dbraw/zinc/48/59/11/599485911.db2.gz CHDVQGOLRQRRND-LLVKDONJSA-N -1 3 379.446 0.215 20 0 GCADHM CN(CC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)C(=O)C1CC1 ZINC000821593905 599490236 /nfs/dbraw/zinc/49/02/36/599490236.db2.gz PFPJWFZNIHYSCW-UHFFFAOYSA-N -1 3 399.455 0.635 20 0 GCADHM CN(CC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)C(=O)C1CC1 ZINC000821593905 599490238 /nfs/dbraw/zinc/49/02/38/599490238.db2.gz PFPJWFZNIHYSCW-UHFFFAOYSA-N -1 3 399.455 0.635 20 0 GCADHM COC(=O)CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000821659250 599490608 /nfs/dbraw/zinc/49/06/08/599490608.db2.gz XCPBYHRTUFVBKF-UHFFFAOYSA-N -1 3 380.430 0.294 20 0 GCADHM COC(=O)CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000821659250 599490610 /nfs/dbraw/zinc/49/06/10/599490610.db2.gz XCPBYHRTUFVBKF-UHFFFAOYSA-N -1 3 380.430 0.294 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736222043 599492444 /nfs/dbraw/zinc/49/24/44/599492444.db2.gz AEZLRFDOZROFOA-HGXOIEIDSA-N -1 3 378.462 0.225 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736222043 599492445 /nfs/dbraw/zinc/49/24/45/599492445.db2.gz AEZLRFDOZROFOA-HGXOIEIDSA-N -1 3 378.462 0.225 20 0 GCADHM CN1CCO[C@@H](CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736868210 599501921 /nfs/dbraw/zinc/50/19/21/599501921.db2.gz RNVMYUIKLJAUDV-JTQLQIEISA-N -1 3 383.359 0.920 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736608942 599503186 /nfs/dbraw/zinc/50/31/86/599503186.db2.gz NPNRCLCGJBTJGD-INIZCTEOSA-N -1 3 389.460 0.091 20 0 GCADHM CCn1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000736723014 599508956 /nfs/dbraw/zinc/50/89/56/599508956.db2.gz RNSRGLBJOFXDSQ-LLVKDONJSA-N -1 3 381.396 0.864 20 0 GCADHM CCn1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000736723014 599508958 /nfs/dbraw/zinc/50/89/58/599508958.db2.gz RNSRGLBJOFXDSQ-LLVKDONJSA-N -1 3 381.396 0.864 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000737491853 599509878 /nfs/dbraw/zinc/50/98/78/599509878.db2.gz OFBSZIANVPZCOB-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000737491853 599509880 /nfs/dbraw/zinc/50/98/80/599509880.db2.gz OFBSZIANVPZCOB-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735623918 599509906 /nfs/dbraw/zinc/50/99/06/599509906.db2.gz NAFYMHKCBMKPCW-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735623918 599509908 /nfs/dbraw/zinc/50/99/08/599509908.db2.gz NAFYMHKCBMKPCW-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM Cc1noc(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)n1 ZINC000737545046 599511963 /nfs/dbraw/zinc/51/19/63/599511963.db2.gz DNVJCGYSIMRCPM-UHFFFAOYSA-N -1 3 386.372 0.600 20 0 GCADHM Cc1noc(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)n1 ZINC000737545046 599511966 /nfs/dbraw/zinc/51/19/66/599511966.db2.gz DNVJCGYSIMRCPM-UHFFFAOYSA-N -1 3 386.372 0.600 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCSCCCO ZINC000736634767 599513886 /nfs/dbraw/zinc/51/38/86/599513886.db2.gz IKPKRFXVAIVZRL-UHFFFAOYSA-N -1 3 394.457 0.436 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCSCCCO ZINC000736634767 599513889 /nfs/dbraw/zinc/51/38/89/599513889.db2.gz IKPKRFXVAIVZRL-UHFFFAOYSA-N -1 3 394.457 0.436 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000737287096 599517036 /nfs/dbraw/zinc/51/70/36/599517036.db2.gz BRAMSTDTLWYBPZ-CZFJJDJESA-N -1 3 376.442 0.482 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000737287096 599517040 /nfs/dbraw/zinc/51/70/40/599517040.db2.gz BRAMSTDTLWYBPZ-CZFJJDJESA-N -1 3 376.442 0.482 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@H](C3OCCO3)C2)c(-c2nnn[n-]2)c1 ZINC000822894763 599517466 /nfs/dbraw/zinc/51/74/66/599517466.db2.gz FWJOMDJPFJVXEX-JTQLQIEISA-N -1 3 380.430 0.103 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@H](C3OCCO3)C2)c(-c2nn[n-]n2)c1 ZINC000822894763 599517467 /nfs/dbraw/zinc/51/74/67/599517467.db2.gz FWJOMDJPFJVXEX-JTQLQIEISA-N -1 3 380.430 0.103 20 0 GCADHM C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)[C@@H](C)N1CCOCC1 ZINC000820456065 599527860 /nfs/dbraw/zinc/52/78/60/599527860.db2.gz PKQVTSVEYUDBIT-GHMZBOCLSA-N -1 3 381.462 0.035 20 0 GCADHM C[C@@H](NC(=O)CSCC(=O)N1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820334915 599533316 /nfs/dbraw/zinc/53/33/16/599533316.db2.gz QSKSNLVUPLXSMW-GFCCVEGCSA-N -1 3 390.469 0.636 20 0 GCADHM C[C@@H](NC(=O)CSCC(=O)N1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820334915 599533318 /nfs/dbraw/zinc/53/33/18/599533318.db2.gz QSKSNLVUPLXSMW-GFCCVEGCSA-N -1 3 390.469 0.636 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000820752181 599535710 /nfs/dbraw/zinc/53/57/10/599535710.db2.gz LDTHWRGWSNOJMX-QWRGUYRKSA-N -1 3 398.924 0.818 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000820752181 599535711 /nfs/dbraw/zinc/53/57/11/599535711.db2.gz LDTHWRGWSNOJMX-QWRGUYRKSA-N -1 3 398.924 0.818 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820752985 599535879 /nfs/dbraw/zinc/53/58/79/599535879.db2.gz VFQSMPXCHVTASO-CHWSQXEVSA-N -1 3 392.895 0.756 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820753606 599536187 /nfs/dbraw/zinc/53/61/87/599536187.db2.gz ZNGUNXISWSMNGI-TZMCWYRMSA-N -1 3 393.442 0.986 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820752986 599536277 /nfs/dbraw/zinc/53/62/77/599536277.db2.gz VFQSMPXCHVTASO-OLZOCXBDSA-N -1 3 392.895 0.756 20 0 GCADHM C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820326997 599538525 /nfs/dbraw/zinc/53/85/25/599538525.db2.gz CTPGKYWQSRYJHK-YPMLDQLKSA-N -1 3 383.412 0.764 20 0 GCADHM C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820326997 599538526 /nfs/dbraw/zinc/53/85/26/599538526.db2.gz CTPGKYWQSRYJHK-YPMLDQLKSA-N -1 3 383.412 0.764 20 0 GCADHM Cc1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000737244137 599539872 /nfs/dbraw/zinc/53/98/72/599539872.db2.gz ZEPJYAGNBYCIJI-UHFFFAOYSA-N -1 3 393.363 0.340 20 0 GCADHM Cc1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000737244137 599539876 /nfs/dbraw/zinc/53/98/76/599539876.db2.gz ZEPJYAGNBYCIJI-UHFFFAOYSA-N -1 3 393.363 0.340 20 0 GCADHM Cc1cnn([C@H]2CCCN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)C2)c1 ZINC000822403538 599540288 /nfs/dbraw/zinc/54/02/88/599540288.db2.gz QWBXISFSGSCHII-LBPRGKRZSA-N -1 3 388.457 0.861 20 0 GCADHM Cc1cnn([C@H]2CCCN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)C2)c1 ZINC000822403538 599540289 /nfs/dbraw/zinc/54/02/89/599540289.db2.gz QWBXISFSGSCHII-LBPRGKRZSA-N -1 3 388.457 0.861 20 0 GCADHM COc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)nn1 ZINC000737067245 599544796 /nfs/dbraw/zinc/54/47/96/599544796.db2.gz SIRYYDQQAVLOPU-UHFFFAOYSA-N -1 3 384.375 0.767 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328625 599552620 /nfs/dbraw/zinc/55/26/20/599552620.db2.gz PYVBLMDRSVCTEW-BXUZGUMPSA-N -1 3 378.458 0.163 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328625 599552622 /nfs/dbraw/zinc/55/26/22/599552622.db2.gz PYVBLMDRSVCTEW-BXUZGUMPSA-N -1 3 378.458 0.163 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c(C)c1C ZINC000737482214 599558600 /nfs/dbraw/zinc/55/86/00/599558600.db2.gz FGEVBYJOSUBANM-LLVKDONJSA-N -1 3 375.458 0.626 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H]2CCN(C)C2=O)c(-c2nn[n-]n2)c(C)c1C ZINC000737482214 599558603 /nfs/dbraw/zinc/55/86/03/599558603.db2.gz FGEVBYJOSUBANM-LLVKDONJSA-N -1 3 375.458 0.626 20 0 GCADHM CC(C)N1C[C@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735876257 599566586 /nfs/dbraw/zinc/56/65/86/599566586.db2.gz YCZREVXQCRKNOP-GDBMZVCRSA-N -1 3 383.456 0.961 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN(CCO)CC1 ZINC000735551261 599568857 /nfs/dbraw/zinc/56/88/57/599568857.db2.gz PZPNAMIBAUMOHO-NSHDSACASA-N -1 3 379.852 0.457 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN(CCO)CC1 ZINC000735551261 599568858 /nfs/dbraw/zinc/56/88/58/599568858.db2.gz PZPNAMIBAUMOHO-NSHDSACASA-N -1 3 379.852 0.457 20 0 GCADHM C[C@@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736278731 599571304 /nfs/dbraw/zinc/57/13/04/599571304.db2.gz HVOJKXBMEDENFK-LLVKDONJSA-N -1 3 381.483 0.745 20 0 GCADHM C[C@@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736278731 599571307 /nfs/dbraw/zinc/57/13/07/599571307.db2.gz HVOJKXBMEDENFK-LLVKDONJSA-N -1 3 381.483 0.745 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H](O)c2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC000822899866 599572194 /nfs/dbraw/zinc/57/21/94/599572194.db2.gz WOYDNPHGMHXILF-ZDUSSCGKSA-N -1 3 396.379 0.938 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H](O)c2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC000822899866 599572197 /nfs/dbraw/zinc/57/21/97/599572197.db2.gz WOYDNPHGMHXILF-ZDUSSCGKSA-N -1 3 396.379 0.938 20 0 GCADHM CN1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1=O ZINC000736847766 599573046 /nfs/dbraw/zinc/57/30/46/599573046.db2.gz WRVWBAFJWVIMNW-SECBINFHSA-N -1 3 377.792 0.196 20 0 GCADHM CN1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1=O ZINC000736847766 599573051 /nfs/dbraw/zinc/57/30/51/599573051.db2.gz WRVWBAFJWVIMNW-SECBINFHSA-N -1 3 377.792 0.196 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820643793 599574620 /nfs/dbraw/zinc/57/46/20/599574620.db2.gz ZJDZJDQKLNHSDW-QWRGUYRKSA-N -1 3 389.441 0.924 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820643793 599574625 /nfs/dbraw/zinc/57/46/25/599574625.db2.gz ZJDZJDQKLNHSDW-QWRGUYRKSA-N -1 3 389.441 0.924 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820295066 599574673 /nfs/dbraw/zinc/57/46/73/599574673.db2.gz XOPWREOSNJZQAM-SNVBAGLBSA-N -1 3 377.430 0.782 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820295066 599574676 /nfs/dbraw/zinc/57/46/76/599574676.db2.gz XOPWREOSNJZQAM-SNVBAGLBSA-N -1 3 377.430 0.782 20 0 GCADHM c1ncn(C[C@H]2CN(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CCO2)n1 ZINC000823738430 599575354 /nfs/dbraw/zinc/57/53/54/599575354.db2.gz VFUPCTKCVNEUHS-CQSZACIVSA-N -1 3 394.399 0.409 20 0 GCADHM c1ncn(C[C@H]2CN(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)CCO2)n1 ZINC000823738430 599575355 /nfs/dbraw/zinc/57/53/55/599575355.db2.gz VFUPCTKCVNEUHS-CQSZACIVSA-N -1 3 394.399 0.409 20 0 GCADHM C[C@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCS1(=O)=O ZINC000820759004 599576350 /nfs/dbraw/zinc/57/63/50/599576350.db2.gz GUAWKVLOFQKMCC-JTQLQIEISA-N -1 3 375.414 0.536 20 0 GCADHM C[C@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCS1(=O)=O ZINC000820759004 599576352 /nfs/dbraw/zinc/57/63/52/599576352.db2.gz GUAWKVLOFQKMCC-JTQLQIEISA-N -1 3 375.414 0.536 20 0 GCADHM CC[C@@H]1COCCN1CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736408783 599578376 /nfs/dbraw/zinc/57/83/76/599578376.db2.gz VFZDDQHRVWNXCE-OAHLLOKOSA-N -1 3 385.428 0.699 20 0 GCADHM CC[C@@H]1COCCN1CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736408783 599578379 /nfs/dbraw/zinc/57/83/79/599578379.db2.gz VFZDDQHRVWNXCE-OAHLLOKOSA-N -1 3 385.428 0.699 20 0 GCADHM CCOC(=O)CNC(=O)C1CCN(c2nc(C)cc(C)c2-c2nnn[n-]2)CC1 ZINC000821330572 607385194 /nfs/dbraw/zinc/38/51/94/607385194.db2.gz NWPVAMBXTBVRCP-UHFFFAOYSA-N -1 3 387.444 0.774 20 0 GCADHM CCOC(=O)CNC(=O)C1CCN(c2nc(C)cc(C)c2-c2nn[n-]n2)CC1 ZINC000821330572 607385196 /nfs/dbraw/zinc/38/51/96/607385196.db2.gz NWPVAMBXTBVRCP-UHFFFAOYSA-N -1 3 387.444 0.774 20 0 GCADHM O=C1NCCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000738315998 599588023 /nfs/dbraw/zinc/58/80/23/599588023.db2.gz OEOZCNGWYYLAHW-FUHWJXTLSA-N -1 3 394.435 0.780 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736792688 599593882 /nfs/dbraw/zinc/59/38/82/599593882.db2.gz HBLFCFNLTIYDPB-UHFFFAOYSA-N -1 3 391.501 0.571 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736792688 599593883 /nfs/dbraw/zinc/59/38/83/599593883.db2.gz HBLFCFNLTIYDPB-UHFFFAOYSA-N -1 3 391.501 0.571 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1(=O)=O ZINC000736290949 599595046 /nfs/dbraw/zinc/59/50/46/599595046.db2.gz SERGOPFCBNJKEO-MRVPVSSYSA-N -1 3 391.862 0.328 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1(=O)=O ZINC000736290949 599595048 /nfs/dbraw/zinc/59/50/48/599595048.db2.gz SERGOPFCBNJKEO-MRVPVSSYSA-N -1 3 391.862 0.328 20 0 GCADHM COC(=O)c1ccsc1NC(=O)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821671184 599597392 /nfs/dbraw/zinc/59/73/92/599597392.db2.gz LHFLIDIYNNLGPE-UHFFFAOYSA-N -1 3 386.393 0.970 20 0 GCADHM COC(=O)c1ccsc1NC(=O)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821671184 599597393 /nfs/dbraw/zinc/59/73/93/599597393.db2.gz LHFLIDIYNNLGPE-UHFFFAOYSA-N -1 3 386.393 0.970 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000737743818 599597513 /nfs/dbraw/zinc/59/75/13/599597513.db2.gz KFRKHANVIPVJHR-RKDXNWHRSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000737743818 599597514 /nfs/dbraw/zinc/59/75/14/599597514.db2.gz KFRKHANVIPVJHR-RKDXNWHRSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000737743813 599597694 /nfs/dbraw/zinc/59/76/94/599597694.db2.gz KFRKHANVIPVJHR-BDAKNGLRSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000737743813 599597695 /nfs/dbraw/zinc/59/76/95/599597695.db2.gz KFRKHANVIPVJHR-BDAKNGLRSA-N -1 3 384.849 0.843 20 0 GCADHM Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737442235 599597931 /nfs/dbraw/zinc/59/79/31/599597931.db2.gz ODXUZLSHIBGRQG-UHFFFAOYSA-N -1 3 390.425 0.867 20 0 GCADHM Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737442235 599597932 /nfs/dbraw/zinc/59/79/32/599597932.db2.gz ODXUZLSHIBGRQG-UHFFFAOYSA-N -1 3 390.425 0.867 20 0 GCADHM Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737442287 599597942 /nfs/dbraw/zinc/59/79/42/599597942.db2.gz PDIWYJCJOXBDEN-UHFFFAOYSA-N -1 3 390.425 0.867 20 0 GCADHM Cc1ccoc1C(=O)NCCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737442287 599597943 /nfs/dbraw/zinc/59/79/43/599597943.db2.gz PDIWYJCJOXBDEN-UHFFFAOYSA-N -1 3 390.425 0.867 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000823201833 599599044 /nfs/dbraw/zinc/59/90/44/599599044.db2.gz LYDQBQPVHVQQKX-UHFFFAOYSA-N -1 3 391.395 0.910 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000823201833 599599045 /nfs/dbraw/zinc/59/90/45/599599045.db2.gz LYDQBQPVHVQQKX-UHFFFAOYSA-N -1 3 391.395 0.910 20 0 GCADHM CCC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000820837511 599600476 /nfs/dbraw/zinc/60/04/76/599600476.db2.gz JLRUZWNCKXKCIC-UHFFFAOYSA-N -1 3 385.428 0.585 20 0 GCADHM CCC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000820837511 599600478 /nfs/dbraw/zinc/60/04/78/599600478.db2.gz JLRUZWNCKXKCIC-UHFFFAOYSA-N -1 3 385.428 0.585 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CCC[C@@H](O)C1 ZINC000823303275 599600691 /nfs/dbraw/zinc/60/06/91/599600691.db2.gz FLDYKYSVLLHGTF-SECBINFHSA-N -1 3 384.318 0.807 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CCC[C@@H](O)C1 ZINC000823303275 599600693 /nfs/dbraw/zinc/60/06/93/599600693.db2.gz FLDYKYSVLLHGTF-SECBINFHSA-N -1 3 384.318 0.807 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821687886 599600860 /nfs/dbraw/zinc/60/08/60/599600860.db2.gz ULFBLEZGWJFZOG-UHFFFAOYSA-N -1 3 376.417 0.625 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821687886 599600861 /nfs/dbraw/zinc/60/08/61/599600861.db2.gz ULFBLEZGWJFZOG-UHFFFAOYSA-N -1 3 376.417 0.625 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c1-c1nnn[n-]1 ZINC000822312282 599601549 /nfs/dbraw/zinc/60/15/49/599601549.db2.gz CPLCYTSKQAPLNK-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c1-c1nn[n-]n1 ZINC000822312282 599601551 /nfs/dbraw/zinc/60/15/51/599601551.db2.gz CPLCYTSKQAPLNK-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(Cn2cccn2)CC1 ZINC000738036961 599604582 /nfs/dbraw/zinc/60/45/82/599604582.db2.gz BGAFQRRABQFKPX-UHFFFAOYSA-N -1 3 394.439 0.732 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(Cn2cccn2)CC1 ZINC000738036961 599604584 /nfs/dbraw/zinc/60/45/84/599604584.db2.gz BGAFQRRABQFKPX-UHFFFAOYSA-N -1 3 394.439 0.732 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737489581 599604623 /nfs/dbraw/zinc/60/46/23/599604623.db2.gz JZGOVBZFEABHID-UHFFFAOYSA-N -1 3 380.412 0.452 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737489581 599604625 /nfs/dbraw/zinc/60/46/25/599604625.db2.gz JZGOVBZFEABHID-UHFFFAOYSA-N -1 3 380.412 0.452 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821441322 599605331 /nfs/dbraw/zinc/60/53/31/599605331.db2.gz KJTQPRUYUHGNFQ-LLVKDONJSA-N -1 3 394.457 0.395 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821441322 599605333 /nfs/dbraw/zinc/60/53/33/599605333.db2.gz KJTQPRUYUHGNFQ-LLVKDONJSA-N -1 3 394.457 0.395 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCn3c(nnc3C(C)C)C2)c1-c1nnn[n-]1 ZINC000822313618 599605672 /nfs/dbraw/zinc/60/56/72/599605672.db2.gz OKBIUKVDWVQVGN-UHFFFAOYSA-N -1 3 395.427 0.871 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCn3c(nnc3C(C)C)C2)c1-c1nn[n-]n1 ZINC000822313618 599605673 /nfs/dbraw/zinc/60/56/73/599605673.db2.gz OKBIUKVDWVQVGN-UHFFFAOYSA-N -1 3 395.427 0.871 20 0 GCADHM COC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 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386.485 0.914 20 0 GCADHM C[C@H]1CN=C(N2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)S1 ZINC000820804460 599651079 /nfs/dbraw/zinc/65/10/79/599651079.db2.gz SOFYGFWLZOUUSD-LBPRGKRZSA-N -1 3 387.469 0.881 20 0 GCADHM C[C@H]1CN=C(N2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)S1 ZINC000820804460 599651080 /nfs/dbraw/zinc/65/10/80/599651080.db2.gz SOFYGFWLZOUUSD-LBPRGKRZSA-N -1 3 387.469 0.881 20 0 GCADHM CN1N=C(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCC1=O ZINC000821629837 599651146 /nfs/dbraw/zinc/65/11/46/599651146.db2.gz DBVZYXBWAYFRFO-UHFFFAOYSA-N -1 3 382.340 0.568 20 0 GCADHM CN1N=C(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCC1=O ZINC000821629837 599651147 /nfs/dbraw/zinc/65/11/47/599651147.db2.gz DBVZYXBWAYFRFO-UHFFFAOYSA-N -1 3 382.340 0.568 20 0 GCADHM Cn1nc2c(cc1=O)CN(C(=O)CSc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000822704560 599652194 /nfs/dbraw/zinc/65/21/94/599652194.db2.gz MWEZPORFBHKOJO-UHFFFAOYSA-N -1 3 383.437 0.637 20 0 GCADHM Cn1nc2c(cc1=O)CN(C(=O)CSc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822704560 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3 383.368 0.972 20 0 GCADHM O=C(CN1CCCCC1=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822996225 599655428 /nfs/dbraw/zinc/65/54/28/599655428.db2.gz BAKMXPSUURFXFN-UHFFFAOYSA-N -1 3 383.368 0.972 20 0 GCADHM Cc1[nH]nc2ncc(C(=O)OCC(=O)NCc3cccc(-c4nnn[n-]4)c3)cc12 ZINC000822015016 599656947 /nfs/dbraw/zinc/65/69/47/599656947.db2.gz BGDADBUCWVMULF-UHFFFAOYSA-N -1 3 392.379 0.920 20 0 GCADHM Cc1[nH]nc2ncc(C(=O)OCC(=O)NCc3cccc(-c4nn[n-]n4)c3)cc12 ZINC000822015016 599656948 /nfs/dbraw/zinc/65/69/48/599656948.db2.gz BGDADBUCWVMULF-UHFFFAOYSA-N -1 3 392.379 0.920 20 0 GCADHM Cc1[nH]nc2ncc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000822015946 599656980 /nfs/dbraw/zinc/65/69/80/599656980.db2.gz RBFKBHLSVPBSPJ-CYBMUJFWSA-N -1 3 378.352 0.830 20 0 GCADHM Cc1[nH]nc2ncc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000822015946 599656981 /nfs/dbraw/zinc/65/69/81/599656981.db2.gz RBFKBHLSVPBSPJ-CYBMUJFWSA-N -1 3 378.352 0.830 20 0 GCADHM Cn1cc(N2CCC[C@H](OC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822681627 599658249 /nfs/dbraw/zinc/65/82/49/599658249.db2.gz ZQTCSYFXONLDAV-HNNXBMFYSA-N -1 3 396.411 0.751 20 0 GCADHM C[C@H](OC(=O)c1nonc1N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820519297 599658567 /nfs/dbraw/zinc/65/85/67/599658567.db2.gz RBQJVCSMMLSLMQ-YFKPBYRVSA-N -1 3 378.736 0.669 20 0 GCADHM C[C@H](OC(=O)c1nonc1N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820519297 599658568 /nfs/dbraw/zinc/65/85/68/599658568.db2.gz RBQJVCSMMLSLMQ-YFKPBYRVSA-N -1 3 378.736 0.669 20 0 GCADHM C[C@H](OC(=O)c1nonc1N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820518923 599658639 /nfs/dbraw/zinc/65/86/39/599658639.db2.gz NNWKTVXJMSJACS-YFKPBYRVSA-N -1 3 390.385 0.566 20 0 GCADHM C[C@H](OC(=O)c1nonc1N)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820518923 599658640 /nfs/dbraw/zinc/65/86/40/599658640.db2.gz NNWKTVXJMSJACS-YFKPBYRVSA-N -1 3 390.385 0.566 20 0 GCADHM C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCNC1=O ZINC000820488365 599660186 /nfs/dbraw/zinc/66/01/86/599660186.db2.gz NCQNXNQIZWROCB-RISCZKNCSA-N -1 3 399.411 0.319 20 0 GCADHM C[C@H](OC(=O)C1(O)CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820486263 599660489 /nfs/dbraw/zinc/66/04/89/599660489.db2.gz ADPVZTABYQIOHL-VIFPVBQESA-N -1 3 395.803 0.932 20 0 GCADHM C[C@H](OC(=O)C1(O)CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820486263 599660490 /nfs/dbraw/zinc/66/04/90/599660490.db2.gz ADPVZTABYQIOHL-VIFPVBQESA-N -1 3 395.803 0.932 20 0 GCADHM CS(=O)(=O)CCCC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821926469 599660914 /nfs/dbraw/zinc/66/09/14/599660914.db2.gz GJYVAPDUAQFTLW-UHFFFAOYSA-N -1 3 392.397 0.785 20 0 GCADHM CS(=O)(=O)CCCC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821926469 599660915 /nfs/dbraw/zinc/66/09/15/599660915.db2.gz GJYVAPDUAQFTLW-UHFFFAOYSA-N -1 3 392.397 0.785 20 0 GCADHM COC(=O)NC(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821665016 599660932 /nfs/dbraw/zinc/66/09/32/599660932.db2.gz RZZPLTDTTOOBQW-SECBINFHSA-N -1 3 376.373 0.872 20 0 GCADHM COC(=O)NC(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821665016 599660933 /nfs/dbraw/zinc/66/09/33/599660933.db2.gz RZZPLTDTTOOBQW-SECBINFHSA-N -1 3 376.373 0.872 20 0 GCADHM CC(C)CC(=O)NCCC(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820050587 599663532 /nfs/dbraw/zinc/66/35/32/599663532.db2.gz CQKGOIXWEJBFPW-UHFFFAOYSA-N -1 3 388.428 0.579 20 0 GCADHM CC(C)CC(=O)NCCC(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820050587 599663533 /nfs/dbraw/zinc/66/35/33/599663533.db2.gz CQKGOIXWEJBFPW-UHFFFAOYSA-N -1 3 388.428 0.579 20 0 GCADHM O=C(NCCCN1CCOCC1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823190695 599665747 /nfs/dbraw/zinc/66/57/47/599665747.db2.gz CUVNQMWJGDLKOG-UHFFFAOYSA-N -1 3 375.433 0.267 20 0 GCADHM COC[C@@](C)(O)C(=O)O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821681372 599665946 /nfs/dbraw/zinc/66/59/46/599665946.db2.gz JAGNVAUXAQEVCP-ANRSDYALSA-N -1 3 383.792 0.788 20 0 GCADHM COC[C@@](C)(O)C(=O)O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821681372 599665947 /nfs/dbraw/zinc/66/59/47/599665947.db2.gz JAGNVAUXAQEVCP-ANRSDYALSA-N -1 3 383.792 0.788 20 0 GCADHM COC[C@](C)(O)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000821681479 599666195 /nfs/dbraw/zinc/66/61/95/599666195.db2.gz LSMRFONYGYAOSM-PWJLMRLQSA-N -1 3 395.441 0.685 20 0 GCADHM COC[C@](C)(O)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000821681479 599666196 /nfs/dbraw/zinc/66/61/96/599666196.db2.gz LSMRFONYGYAOSM-PWJLMRLQSA-N -1 3 395.441 0.685 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H](n2cncn2)C1 ZINC000823202521 599669385 /nfs/dbraw/zinc/66/93/85/599669385.db2.gz VRYGYOAYVIAEAB-CYBMUJFWSA-N -1 3 383.420 0.312 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H](n2cncn2)C1 ZINC000823202521 599669386 /nfs/dbraw/zinc/66/93/86/599669386.db2.gz VRYGYOAYVIAEAB-CYBMUJFWSA-N -1 3 383.420 0.312 20 0 GCADHM C[C@H](NC(=O)NCCS(=O)(=O)NC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820367944 599669757 /nfs/dbraw/zinc/66/97/57/599669757.db2.gz WBAOOXCPSWIZAX-JTQLQIEISA-N -1 3 379.446 0.309 20 0 GCADHM C[C@H](NC(=O)NCCS(=O)(=O)NC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820367944 599669758 /nfs/dbraw/zinc/66/97/58/599669758.db2.gz WBAOOXCPSWIZAX-JTQLQIEISA-N -1 3 379.446 0.309 20 0 GCADHM O=C(COC(=O)[C@@H]1CCc2c[nH]nc2C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823018436 599670907 /nfs/dbraw/zinc/67/09/07/599670907.db2.gz NQYPUHSELKPRLL-CYBMUJFWSA-N -1 3 381.396 0.554 20 0 GCADHM CC[C@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)N1CCCC1=O ZINC000820848420 599671213 /nfs/dbraw/zinc/67/12/13/599671213.db2.gz XRRDZXRYZCWRLT-LLVKDONJSA-N -1 3 390.400 0.959 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820468732 599671436 /nfs/dbraw/zinc/67/14/36/599671436.db2.gz WBLDSRXCIDWBED-BXUZGUMPSA-N -1 3 391.428 0.700 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NC(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822463385 599673305 /nfs/dbraw/zinc/67/33/05/599673305.db2.gz PPKAJENLVPVBRD-ZDUSSCGKSA-N -1 3 383.416 0.460 20 0 GCADHM COCCOC[C@H](C)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821691912 599677080 /nfs/dbraw/zinc/67/70/80/599677080.db2.gz JQUOQUCUZQYEHC-ZDUSSCGKSA-N -1 3 390.448 0.145 20 0 GCADHM COCCOC[C@H](C)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821691912 599677081 /nfs/dbraw/zinc/67/70/81/599677081.db2.gz JQUOQUCUZQYEHC-ZDUSSCGKSA-N -1 3 390.448 0.145 20 0 GCADHM COCCOC[C@H](C)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821692238 599677334 /nfs/dbraw/zinc/67/73/34/599677334.db2.gz RPVYKMYIJQWRSJ-ZDUSSCGKSA-N -1 3 390.448 0.145 20 0 GCADHM COCCOC[C@H](C)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821692238 599677335 /nfs/dbraw/zinc/67/73/35/599677335.db2.gz RPVYKMYIJQWRSJ-ZDUSSCGKSA-N -1 3 390.448 0.145 20 0 GCADHM C[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)C ZINC000820366004 599677760 /nfs/dbraw/zinc/67/77/60/599677760.db2.gz MXNQJVALLUWBEV-LLVKDONJSA-N -1 3 375.433 0.848 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC000819810533 599679478 /nfs/dbraw/zinc/67/94/78/599679478.db2.gz MDJPSSAFOKLPCT-ZDUSSCGKSA-N -1 3 377.380 0.052 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC000819810533 599679479 /nfs/dbraw/zinc/67/94/79/599679479.db2.gz MDJPSSAFOKLPCT-ZDUSSCGKSA-N -1 3 377.380 0.052 20 0 GCADHM C[C@@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353346 599681424 /nfs/dbraw/zinc/68/14/24/599681424.db2.gz YZGDKFWIRKZGES-LLVKDONJSA-N -1 3 380.412 0.789 20 0 GCADHM C[C@@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353346 599681425 /nfs/dbraw/zinc/68/14/25/599681425.db2.gz YZGDKFWIRKZGES-LLVKDONJSA-N -1 3 380.412 0.789 20 0 GCADHM C[C@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820352104 599681557 /nfs/dbraw/zinc/68/15/57/599681557.db2.gz SBTGSHCSPKBIAJ-ZDUSSCGKSA-N -1 3 398.471 0.534 20 0 GCADHM C[C@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820352104 599681558 /nfs/dbraw/zinc/68/15/58/599681558.db2.gz SBTGSHCSPKBIAJ-ZDUSSCGKSA-N -1 3 398.471 0.534 20 0 GCADHM Cn1ccnc(N2CCN(Cc3cn4ccccc4c3-c3nnn[n-]3)CC2)c1=O ZINC000822693939 599684857 /nfs/dbraw/zinc/68/48/57/599684857.db2.gz OSOXHEUQWLLXJR-UHFFFAOYSA-N -1 3 391.439 0.535 20 0 GCADHM Cn1ccnc(N2CCN(Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)c1=O ZINC000822693939 599684858 /nfs/dbraw/zinc/68/48/58/599684858.db2.gz OSOXHEUQWLLXJR-UHFFFAOYSA-N -1 3 391.439 0.535 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000820542367 599691806 /nfs/dbraw/zinc/69/18/06/599691806.db2.gz NJSZBGPXLVOTAA-GFCCVEGCSA-N -1 3 387.444 0.042 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000820542367 599691807 /nfs/dbraw/zinc/69/18/07/599691807.db2.gz NJSZBGPXLVOTAA-GFCCVEGCSA-N -1 3 387.444 0.042 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000820525567 599691953 /nfs/dbraw/zinc/69/19/53/599691953.db2.gz GCCKYMQDQSPVJR-GFCCVEGCSA-N -1 3 387.444 0.042 20 0 GCADHM C[C@@]1(C2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820612950 599692186 /nfs/dbraw/zinc/69/21/86/599692186.db2.gz OJCGECPCARXDQX-SFHVURJKSA-N -1 3 399.411 0.082 20 0 GCADHM C[C@@]1(C2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820612950 599692187 /nfs/dbraw/zinc/69/21/87/599692187.db2.gz OJCGECPCARXDQX-SFHVURJKSA-N -1 3 399.411 0.082 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)Nc1cnn(-c2ncccn2)c1 ZINC000823206050 599693797 /nfs/dbraw/zinc/69/37/97/599693797.db2.gz HYDNYPTWBHJPFS-UHFFFAOYSA-N -1 3 392.387 0.471 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)Nc1cnn(-c2ncccn2)c1 ZINC000823206050 599693798 /nfs/dbraw/zinc/69/37/98/599693798.db2.gz HYDNYPTWBHJPFS-UHFFFAOYSA-N -1 3 392.387 0.471 20 0 GCADHM CNC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000821632622 599694659 /nfs/dbraw/zinc/69/46/59/599694659.db2.gz AWBLEYHOKLHPOP-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM CNC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000821632622 599694660 /nfs/dbraw/zinc/69/46/60/599694660.db2.gz AWBLEYHOKLHPOP-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM C[C@@](O)(Cc1ccccc1)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000820467427 599695874 /nfs/dbraw/zinc/69/58/74/599695874.db2.gz HHPJQRDBPFDWAX-HXUWFJFHSA-N -1 3 393.451 0.904 20 0 GCADHM C[C@@](O)(Cc1ccccc1)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000820467427 599695875 /nfs/dbraw/zinc/69/58/75/599695875.db2.gz HHPJQRDBPFDWAX-HXUWFJFHSA-N -1 3 393.451 0.904 20 0 GCADHM O=C([C@H](O)C1CCOCC1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822911824 599695999 /nfs/dbraw/zinc/69/59/99/599695999.db2.gz AVNDDUPPSPOVPP-QGZVFWFLSA-N -1 3 386.456 0.298 20 0 GCADHM O=C([C@H](O)C1CCOCC1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822911824 599696000 /nfs/dbraw/zinc/69/60/00/599696000.db2.gz AVNDDUPPSPOVPP-QGZVFWFLSA-N -1 3 386.456 0.298 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1nccnc1C(N)=O ZINC000821690438 599696884 /nfs/dbraw/zinc/69/68/84/599696884.db2.gz LPNPBTUZAJSBCP-UHFFFAOYSA-N -1 3 382.384 0.044 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nccnc1C(N)=O 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GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(C)(O)CC2)cc1-c1nnn[n-]1 ZINC000820155479 607438155 /nfs/dbraw/zinc/43/81/55/607438155.db2.gz QPQHWRIASBRWEU-UHFFFAOYSA-N -1 3 388.428 0.966 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(C)(O)CC2)cc1-c1nn[n-]n1 ZINC000820155479 607438157 /nfs/dbraw/zinc/43/81/57/607438157.db2.gz QPQHWRIASBRWEU-UHFFFAOYSA-N -1 3 388.428 0.966 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)CCCO)cc1-c1nnn[n-]1 ZINC000820241069 607438174 /nfs/dbraw/zinc/43/81/74/607438174.db2.gz DESJLUIYJMMMMA-NSHDSACASA-N -1 3 376.417 0.870 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)CCCO)cc1-c1nn[n-]n1 ZINC000820241069 607438176 /nfs/dbraw/zinc/43/81/76/607438176.db2.gz DESJLUIYJMMMMA-NSHDSACASA-N -1 3 376.417 0.870 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCC[S@@](C)=O)cc1-c1nnn[n-]1 ZINC000820160352 607438357 /nfs/dbraw/zinc/43/83/57/607438357.db2.gz HXJSBHKCYYDNTB-AREMUKBSSA-N -1 3 380.430 0.087 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCC[S@@](C)=O)cc1-c1nn[n-]n1 ZINC000820160352 607438358 /nfs/dbraw/zinc/43/83/58/607438358.db2.gz HXJSBHKCYYDNTB-AREMUKBSSA-N -1 3 380.430 0.087 20 0 GCADHM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821639478 607438641 /nfs/dbraw/zinc/43/86/41/607438641.db2.gz ZTJFZSBTRFYSRP-JTQLQIEISA-N -1 3 390.400 0.518 20 0 GCADHM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821639478 607438643 /nfs/dbraw/zinc/43/86/43/607438643.db2.gz ZTJFZSBTRFYSRP-JTQLQIEISA-N -1 3 390.400 0.518 20 0 GCADHM COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821682317 607438705 /nfs/dbraw/zinc/43/87/05/607438705.db2.gz BFFJNSJZBVJAKC-GFCCVEGCSA-N -1 3 392.416 0.106 20 0 GCADHM COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821682317 607438707 /nfs/dbraw/zinc/43/87/07/607438707.db2.gz BFFJNSJZBVJAKC-GFCCVEGCSA-N -1 3 392.416 0.106 20 0 GCADHM CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC000821629757 607439137 /nfs/dbraw/zinc/43/91/37/607439137.db2.gz ATAJECKWSHBFTO-LLVKDONJSA-N -1 3 379.808 0.345 20 0 GCADHM CNC(=O)[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC000821629757 607439139 /nfs/dbraw/zinc/43/91/39/607439139.db2.gz ATAJECKWSHBFTO-LLVKDONJSA-N -1 3 379.808 0.345 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000821400985 607439575 /nfs/dbraw/zinc/43/95/75/607439575.db2.gz RLHQIDINFBXTBE-ZDUSSCGKSA-N -1 3 389.416 0.091 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C ZINC000821400985 607439576 /nfs/dbraw/zinc/43/95/76/607439576.db2.gz RLHQIDINFBXTBE-ZDUSSCGKSA-N -1 3 389.416 0.091 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H](O)c2cccnc2)cc1 ZINC000822903029 607439958 /nfs/dbraw/zinc/43/99/58/607439958.db2.gz GIZJNTILOOCXPI-HNNXBMFYSA-N -1 3 391.395 0.493 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H](O)c2cccnc2)cc1 ZINC000822903029 607439960 /nfs/dbraw/zinc/43/99/60/607439960.db2.gz GIZJNTILOOCXPI-HNNXBMFYSA-N -1 3 391.395 0.493 20 0 GCADHM 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607445627 /nfs/dbraw/zinc/44/56/27/607445627.db2.gz NSIWFCJEZBZHOU-CQSZACIVSA-N -1 3 396.448 0.682 20 0 GCADHM CC(C)[C@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)N1CCCS1(=O)=O ZINC000820016665 607445628 /nfs/dbraw/zinc/44/56/28/607445628.db2.gz NSIWFCJEZBZHOU-CQSZACIVSA-N -1 3 396.448 0.682 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2)C1=O ZINC000824296677 607447851 /nfs/dbraw/zinc/44/78/51/607447851.db2.gz KFAKAPDKFQRNGI-SFHVURJKSA-N -1 3 398.427 0.481 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC000824296677 607447852 /nfs/dbraw/zinc/44/78/52/607447852.db2.gz KFAKAPDKFQRNGI-SFHVURJKSA-N -1 3 398.427 0.481 20 0 GCADHM NC(=O)N1CCCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000822874053 607448736 /nfs/dbraw/zinc/44/87/36/607448736.db2.gz RWOSGVYQNMIUIO-NSHDSACASA-N -1 3 376.446 0.120 20 0 GCADHM NC(=O)N1CCCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000822874053 607448737 /nfs/dbraw/zinc/44/87/37/607448737.db2.gz RWOSGVYQNMIUIO-NSHDSACASA-N -1 3 376.446 0.120 20 0 GCADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(CCO)CCO)c1-c1nnn[n-]1 ZINC000822015453 607449234 /nfs/dbraw/zinc/44/92/34/607449234.db2.gz JPSDAAKNABUTRO-UHFFFAOYSA-N -1 3 391.476 0.625 20 0 GCADHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(CCO)CCO)c1-c1nn[n-]n1 ZINC000822015453 607449235 /nfs/dbraw/zinc/44/92/35/607449235.db2.gz JPSDAAKNABUTRO-UHFFFAOYSA-N -1 3 391.476 0.625 20 0 GCADHM CN(C)C(=O)c1ccc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC000825845675 607449646 /nfs/dbraw/zinc/44/96/46/607449646.db2.gz KYPYDXJWEBOCDX-UHFFFAOYSA-N -1 3 380.416 0.080 20 0 GCADHM CN(C)C(=O)c1ccc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC000825845675 607449647 /nfs/dbraw/zinc/44/96/47/607449647.db2.gz KYPYDXJWEBOCDX-UHFFFAOYSA-N -1 3 380.416 0.080 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)CN1CCN(C)CC1 ZINC000736588403 600570486 /nfs/dbraw/zinc/57/04/86/600570486.db2.gz PGVUHMOIUYQMJX-CQSZACIVSA-N -1 3 391.472 0.739 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)CN1CCN(C)CC1 ZINC000736587518 600571519 /nfs/dbraw/zinc/57/15/19/600571519.db2.gz CMRBAQHENMYDTH-CQSZACIVSA-N -1 3 392.456 0.088 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)CN1CCN(C)CC1 ZINC000736586004 600571541 /nfs/dbraw/zinc/57/15/41/600571541.db2.gz LFCNETCPVYHVIT-GFCCVEGCSA-N -1 3 396.875 0.976 20 0 GCADHM CCN1CCN(CCC(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)CC1 ZINC000737116226 600657033 /nfs/dbraw/zinc/65/70/33/600657033.db2.gz PCDVJOGPEBTFHI-UHFFFAOYSA-N -1 3 376.457 0.396 20 0 GCADHM C[C@@H]1COCCCN1CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820813199 607461146 /nfs/dbraw/zinc/46/11/46/607461146.db2.gz ARDAAXYSCNWJIU-CYBMUJFWSA-N -1 3 385.428 0.699 20 0 GCADHM C[C@@H]1COCCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000820814156 607461460 /nfs/dbraw/zinc/46/14/60/607461460.db2.gz SAOGBCNODJRPSE-KZULUSFZSA-N -1 3 385.428 0.702 20 0 GCADHM C[C@@H]1COCCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000820814156 607461462 /nfs/dbraw/zinc/46/14/62/607461462.db2.gz SAOGBCNODJRPSE-KZULUSFZSA-N -1 3 385.428 0.702 20 0 GCADHM C[C@H](NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824490956 607458613 /nfs/dbraw/zinc/45/86/13/607458613.db2.gz RVYQGGSLQMDPCA-DYZYQPBXSA-N -1 3 384.400 0.263 20 0 GCADHM C[C@H](NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824490956 607458614 /nfs/dbraw/zinc/45/86/14/607458614.db2.gz RVYQGGSLQMDPCA-DYZYQPBXSA-N -1 3 384.400 0.263 20 0 GCADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)C(=O)N1CCOCC1 ZINC000825133117 607458697 /nfs/dbraw/zinc/45/86/97/607458697.db2.gz JOXCPBJHPVJWJO-HNNXBMFYSA-N -1 3 399.455 0.792 20 0 GCADHM CC[C@H](NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C(=O)N1CCOCC1 ZINC000825133117 607458698 /nfs/dbraw/zinc/45/86/98/607458698.db2.gz JOXCPBJHPVJWJO-HNNXBMFYSA-N -1 3 399.455 0.792 20 0 GCADHM CN1CCN(Cc2ccc(CNS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cc2)CC1 ZINC000830954742 600711319 /nfs/dbraw/zinc/71/13/19/600711319.db2.gz HUIREAHZSRSYRQ-UHFFFAOYSA-N -1 3 392.481 0.939 20 0 GCADHM CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000829764975 600731961 /nfs/dbraw/zinc/73/19/61/600731961.db2.gz DEEHZVPFDMBQBB-CQSZACIVSA-N -1 3 387.506 0.004 20 0 GCADHM NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000833080305 600735293 /nfs/dbraw/zinc/73/52/93/600735293.db2.gz NCRPKTUXEBWHPP-SNVBAGLBSA-N -1 3 375.472 0.312 20 0 GCADHM C[C@H](CNC(=O)NCc1cccc(OCC(=O)[O-])c1)CN1CCN(C)CC1 ZINC000827478743 600750593 /nfs/dbraw/zinc/75/05/93/600750593.db2.gz UQAXTFBIKIUQMO-OAHLLOKOSA-N -1 3 378.473 0.833 20 0 GCADHM CCOCCCN1CC[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)[C@H](C)C1 ZINC000830001288 600751005 /nfs/dbraw/zinc/75/10/05/600751005.db2.gz WCKJYZQFURLDNY-HIFRSBDPSA-N -1 3 388.490 0.383 20 0 GCADHM CCc1nnc(CN(CCOC)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821517017 607466389 /nfs/dbraw/zinc/46/63/89/607466389.db2.gz FRABYSVBRXZAGT-UHFFFAOYSA-N -1 3 393.429 0.649 20 0 GCADHM CCc1nnc(CN(CCOC)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821517017 607466391 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/nfs/dbraw/zinc/73/03/61/601730361.db2.gz IKXXQMHCAVSIQN-QGZVFWFLSA-N -1 3 383.470 0.113 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833357622 601735204 /nfs/dbraw/zinc/73/52/04/601735204.db2.gz YBHZHWKOZAPZLI-IBGZPJMESA-N -1 3 388.424 0.164 20 0 GCADHM COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1C(=O)[O-] ZINC000831394423 601768623 /nfs/dbraw/zinc/76/86/23/601768623.db2.gz SDDWVYRFVJKEHX-NHYWBVRUSA-N -1 3 391.424 0.955 20 0 GCADHM COC(=O)[C@H](O)C1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000826116799 607526031 /nfs/dbraw/zinc/52/60/31/607526031.db2.gz DMPFACANJJSPTP-OAHLLOKOSA-N -1 3 399.411 0.663 20 0 GCADHM COC(=O)[C@H](O)C1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000826116799 607526033 /nfs/dbraw/zinc/52/60/33/607526033.db2.gz DMPFACANJJSPTP-OAHLLOKOSA-N -1 3 399.411 0.663 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCCNC2=O)CC1 ZINC000826389502 607526069 /nfs/dbraw/zinc/52/60/69/607526069.db2.gz ZWRABSRXECTOHM-OAHLLOKOSA-N -1 3 384.444 0.273 20 0 GCADHM O=C(CCN1CCOCC1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833100051 601777055 /nfs/dbraw/zinc/77/70/55/601777055.db2.gz MPLZYJXAPGTKGF-HXUWFJFHSA-N -1 3 375.469 0.944 20 0 GCADHM O=C(CCN1CCOC1=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826407433 607527034 /nfs/dbraw/zinc/52/70/34/607527034.db2.gz MXMUPGFEIQXAAE-UHFFFAOYSA-N -1 3 382.384 0.715 20 0 GCADHM O=C(CCN1CCOC1=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826407433 607527036 /nfs/dbraw/zinc/52/70/36/607527036.db2.gz MXMUPGFEIQXAAE-UHFFFAOYSA-N -1 3 382.384 0.715 20 0 GCADHM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 ZINC000831470385 601807495 /nfs/dbraw/zinc/80/74/95/601807495.db2.gz IBZNKWTWGSOSOR-BDAKNGLRSA-N -1 3 376.456 0.804 20 0 GCADHM S=C(NC[C@@H]1CN2CCN1CC2)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826511991 607531287 /nfs/dbraw/zinc/53/12/87/607531287.db2.gz LAVSMRIVTFQTEJ-LLVKDONJSA-N -1 3 378.893 0.806 20 0 GCADHM S=C(NC[C@@H]1CN2CCN1CC2)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826511991 607531289 /nfs/dbraw/zinc/53/12/89/607531289.db2.gz LAVSMRIVTFQTEJ-LLVKDONJSA-N -1 3 378.893 0.806 20 0 GCADHM CCCCn1c(N)c(N(CC)C(=O)CN2CC[C@](C)(C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000829447309 601914875 /nfs/dbraw/zinc/91/48/75/601914875.db2.gz LWMZSNUEJQLTFJ-SFHVURJKSA-N -1 3 395.460 0.481 20 0 GCADHM C[C@H](O)c1cn(CC(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)nn1 ZINC000827803947 601944913 /nfs/dbraw/zinc/94/49/13/601944913.db2.gz QAIHPDSDUDNBLW-IFXJQAMLSA-N -1 3 387.440 0.567 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000826083001 607537645 /nfs/dbraw/zinc/53/76/45/607537645.db2.gz DTNLZQNGVFZNHB-AWEZNQCLSA-N -1 3 388.457 0.311 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000826083001 607537646 /nfs/dbraw/zinc/53/76/46/607537646.db2.gz DTNLZQNGVFZNHB-AWEZNQCLSA-N -1 3 388.457 0.311 20 0 GCADHM O=C(CS(=O)(=O)Cc1nccs1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826419968 607537811 /nfs/dbraw/zinc/53/78/11/607537811.db2.gz TZYVVLDWEZNOPP-UHFFFAOYSA-N -1 3 378.439 0.554 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826084316 607539048 /nfs/dbraw/zinc/53/90/48/607539048.db2.gz YTJAQQUCCCMAJN-MFKMUULPSA-N -1 3 379.446 0.261 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826084316 607539050 /nfs/dbraw/zinc/53/90/50/607539050.db2.gz YTJAQQUCCCMAJN-MFKMUULPSA-N -1 3 379.446 0.261 20 0 GCADHM CNc1nc(N2CCC(C(=O)[O-])CC2)nc(N2CCC(C(=O)OC)CC2)n1 ZINC000831046872 602048864 /nfs/dbraw/zinc/04/88/64/602048864.db2.gz NIVKFSZQHNFXQV-UHFFFAOYSA-N -1 3 378.433 0.026 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000826084399 607542088 /nfs/dbraw/zinc/54/20/88/607542088.db2.gz ZWDLEKLMQIRHOJ-QMMMGPOBSA-N -1 3 395.395 0.821 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000826084399 607542089 /nfs/dbraw/zinc/54/20/89/607542089.db2.gz ZWDLEKLMQIRHOJ-QMMMGPOBSA-N -1 3 395.395 0.821 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825391167 607546684 /nfs/dbraw/zinc/54/66/84/607546684.db2.gz VXGBALGOKNYCHP-NSHDSACASA-N -1 3 396.498 0.717 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825391167 607546685 /nfs/dbraw/zinc/54/66/85/607546685.db2.gz VXGBALGOKNYCHP-NSHDSACASA-N -1 3 396.498 0.717 20 0 GCADHM CN(C)C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000830600401 602156964 /nfs/dbraw/zinc/15/69/64/602156964.db2.gz KATFCTNQEICDGC-QMMMGPOBSA-N -1 3 397.247 0.691 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(c3cnn(C)c3)CC2)c1-c1nnn[n-]1 ZINC000826301833 607549384 /nfs/dbraw/zinc/54/93/84/607549384.db2.gz QXQVTGIIJFBJEH-UHFFFAOYSA-N -1 3 388.457 0.420 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(c3cnn(C)c3)CC2)c1-c1nn[n-]n1 ZINC000826301833 607549385 /nfs/dbraw/zinc/54/93/85/607549385.db2.gz QXQVTGIIJFBJEH-UHFFFAOYSA-N -1 3 388.457 0.420 20 0 GCADHM COC[C@@](C)(CC(=O)[O-])NCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000831577366 602206447 /nfs/dbraw/zinc/20/64/47/602206447.db2.gz FKXMMEBXSNLDOG-CQSZACIVSA-N -1 3 393.849 0.395 20 0 GCADHM O=C([O-])CCN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)C1CCOCC1 ZINC000833232116 602207276 /nfs/dbraw/zinc/20/72/76/602207276.db2.gz OKXYFCRQRJCLAX-UHFFFAOYSA-N -1 3 392.391 0.696 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000830934754 602221799 /nfs/dbraw/zinc/22/17/99/602221799.db2.gz JOFRRCCZRNCYEY-INIZCTEOSA-N -1 3 395.481 0.453 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H](C)N2CCOCC2)cc1-c1nnn[n-]1 ZINC000826199473 607557846 /nfs/dbraw/zinc/55/78/46/607557846.db2.gz ZTBSTZNTVWARAS-GFCCVEGCSA-N -1 3 375.433 0.395 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H](C)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000826199473 607557847 /nfs/dbraw/zinc/55/78/47/607557847.db2.gz ZTBSTZNTVWARAS-GFCCVEGCSA-N -1 3 375.433 0.395 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826083359 607558358 /nfs/dbraw/zinc/55/83/58/607558358.db2.gz JQPXBUXEBMWQNW-VIFPVBQESA-N -1 3 385.837 0.676 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826083359 607558360 /nfs/dbraw/zinc/55/83/60/607558360.db2.gz JQPXBUXEBMWQNW-VIFPVBQESA-N -1 3 385.837 0.676 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000825598736 607559435 /nfs/dbraw/zinc/55/94/35/607559435.db2.gz BJIDHJOFAZVELI-ZDUSSCGKSA-N -1 3 388.428 0.768 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000825598736 607559437 /nfs/dbraw/zinc/55/94/37/607559437.db2.gz BJIDHJOFAZVELI-ZDUSSCGKSA-N -1 3 388.428 0.768 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@@H]1CCCn2ccnc21 ZINC000826438035 607562349 /nfs/dbraw/zinc/56/23/49/607562349.db2.gz KBFDZQDGOHMWNL-ZDUSSCGKSA-N -1 3 382.432 0.747 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@@H]1CCCn2ccnc21 ZINC000826438035 607562351 /nfs/dbraw/zinc/56/23/51/607562351.db2.gz KBFDZQDGOHMWNL-ZDUSSCGKSA-N -1 3 382.432 0.747 20 0 GCADHM O=C(COC(=O)c1cnn2c1CCCC2)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826416745 607564443 /nfs/dbraw/zinc/56/44/43/607564443.db2.gz NBRUNDSBNCVYMN-UHFFFAOYSA-N -1 3 381.396 0.873 20 0 GCADHM O=C(COC(=O)c1cnn2c1CCCC2)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826416745 607564445 /nfs/dbraw/zinc/56/44/45/607564445.db2.gz NBRUNDSBNCVYMN-UHFFFAOYSA-N -1 3 381.396 0.873 20 0 GCADHM CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000829776992 602402608 /nfs/dbraw/zinc/40/26/08/602402608.db2.gz ZVWHSMUPOFDCFG-UHFFFAOYSA-N -1 3 380.420 0.606 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCN(c3ccccc3-c3nnn[n-]3)CC1)CC2 ZINC000826337159 607567223 /nfs/dbraw/zinc/56/72/23/607567223.db2.gz DWXQGZBNRSZFTK-CQSZACIVSA-N -1 3 393.455 0.678 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCN(c3ccccc3-c3nn[n-]n3)CC1)CC2 ZINC000826337159 607567224 /nfs/dbraw/zinc/56/72/24/607567224.db2.gz DWXQGZBNRSZFTK-CQSZACIVSA-N -1 3 393.455 0.678 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H]2CCCS2(=O)=O)cc1-c1nnn[n-]1 ZINC000826200020 607569487 /nfs/dbraw/zinc/56/94/87/607569487.db2.gz VWFIIQCPELDPFX-NSHDSACASA-N -1 3 380.430 0.252 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H]2CCCS2(=O)=O)cc1-c1nn[n-]n1 ZINC000826200020 607569489 /nfs/dbraw/zinc/56/94/89/607569489.db2.gz VWFIIQCPELDPFX-NSHDSACASA-N -1 3 380.430 0.252 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1-c1nnn[n-]1 ZINC000826199127 607571899 /nfs/dbraw/zinc/57/18/99/607571899.db2.gz QRYDHNHZFBQOHM-IAQYHMDHSA-N -1 3 375.433 0.394 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000826199127 607571901 /nfs/dbraw/zinc/57/19/01/607571901.db2.gz QRYDHNHZFBQOHM-IAQYHMDHSA-N -1 3 375.433 0.394 20 0 GCADHM COc1ccc(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1-c1nnn[n-]1 ZINC000826197790 607572277 /nfs/dbraw/zinc/57/22/77/607572277.db2.gz CUPIIIMIEFMZBF-UHFFFAOYSA-N -1 3 394.457 0.594 20 0 GCADHM COc1ccc(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1-c1nn[n-]n1 ZINC000826197790 607572279 /nfs/dbraw/zinc/57/22/79/607572279.db2.gz CUPIIIMIEFMZBF-UHFFFAOYSA-N -1 3 394.457 0.594 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826197601 607574033 /nfs/dbraw/zinc/57/40/33/607574033.db2.gz WCJLTWWZSBJOHB-SNVBAGLBSA-N -1 3 382.446 0.450 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826197601 607574035 /nfs/dbraw/zinc/57/40/35/607574035.db2.gz WCJLTWWZSBJOHB-SNVBAGLBSA-N -1 3 382.446 0.450 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@H]2Cn2cncn2)cc1-c1nnn[n-]1 ZINC000826198131 607574590 /nfs/dbraw/zinc/57/45/90/607574590.db2.gz NCMXNGUHQCIYJB-ZDUSSCGKSA-N -1 3 383.416 0.841 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@H]2Cn2cncn2)cc1-c1nn[n-]n1 ZINC000826198131 607574592 /nfs/dbraw/zinc/57/45/92/607574592.db2.gz NCMXNGUHQCIYJB-ZDUSSCGKSA-N -1 3 383.416 0.841 20 0 GCADHM COc1ccc(CNC(=O)NCC(=O)NCc2ccccc2)cc1-c1nnn[n-]1 ZINC000826198785 607574813 /nfs/dbraw/zinc/57/48/13/607574813.db2.gz IUMRWTPYNVUDTK-UHFFFAOYSA-N -1 3 395.423 0.991 20 0 GCADHM COc1ccc(CNC(=O)NCC(=O)NCc2ccccc2)cc1-c1nn[n-]n1 ZINC000826198785 607574814 /nfs/dbraw/zinc/57/48/14/607574814.db2.gz IUMRWTPYNVUDTK-UHFFFAOYSA-N -1 3 395.423 0.991 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)Cc2cccc(F)c2)cc1-c1nnn[n-]1 ZINC000826197432 607579567 /nfs/dbraw/zinc/57/95/67/607579567.db2.gz OODRROGWVGFJKE-UHFFFAOYSA-N -1 3 398.398 0.990 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)Cc2cccc(F)c2)cc1-c1nn[n-]n1 ZINC000826197432 607579569 /nfs/dbraw/zinc/57/95/69/607579569.db2.gz OODRROGWVGFJKE-UHFFFAOYSA-N -1 3 398.398 0.990 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000825470606 607579730 /nfs/dbraw/zinc/57/97/30/607579730.db2.gz FCHAHJZTDKFMBS-UHFFFAOYSA-N -1 3 399.864 0.556 20 0 GCADHM COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1-c1nnn[n-]1 ZINC000826195717 607582303 /nfs/dbraw/zinc/58/23/03/607582303.db2.gz CYLFMYJGPLEGDQ-HNNXBMFYSA-N -1 3 395.423 0.771 20 0 GCADHM COc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(N)=O)cc1-c1nn[n-]n1 ZINC000826195717 607582305 /nfs/dbraw/zinc/58/23/05/607582305.db2.gz CYLFMYJGPLEGDQ-HNNXBMFYSA-N -1 3 395.423 0.771 20 0 GCADHM COc1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1-c1nnn[n-]1 ZINC000826201333 607583423 /nfs/dbraw/zinc/58/34/23/607583423.db2.gz LKUSWZSDBCMBDQ-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM COc1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1-c1nn[n-]n1 ZINC000826201333 607583424 /nfs/dbraw/zinc/58/34/24/607583424.db2.gz LKUSWZSDBCMBDQ-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825464412 607583539 /nfs/dbraw/zinc/58/35/39/607583539.db2.gz COFFAGVSIWGKJZ-ZETCQYMHSA-N -1 3 392.363 0.688 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826428461 607584147 /nfs/dbraw/zinc/58/41/47/607584147.db2.gz CGETYKOGCBVUKO-LBPRGKRZSA-N -1 3 396.860 0.952 20 0 GCADHM Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826333349 607585764 /nfs/dbraw/zinc/58/57/64/607585764.db2.gz DJTMIBUSAKMRPG-UHFFFAOYSA-N -1 3 379.421 0.877 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000824207608 607586942 /nfs/dbraw/zinc/58/69/42/607586942.db2.gz YTFLLUMAGYSMME-YOEHRIQHSA-N -1 3 385.472 0.386 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000824207608 607586944 /nfs/dbraw/zinc/58/69/44/607586944.db2.gz YTFLLUMAGYSMME-YOEHRIQHSA-N -1 3 385.472 0.386 20 0 GCADHM COc1ccc(CNC(=O)c2cnc3sccn3c2=O)cc1-c1nnn[n-]1 ZINC000826201159 607586960 /nfs/dbraw/zinc/58/69/60/607586960.db2.gz BTOBRTBCRPIXSA-UHFFFAOYSA-N -1 3 383.393 0.875 20 0 GCADHM COc1ccc(CNC(=O)c2cnc3sccn3c2=O)cc1-c1nn[n-]n1 ZINC000826201159 607586963 /nfs/dbraw/zinc/58/69/63/607586963.db2.gz BTOBRTBCRPIXSA-UHFFFAOYSA-N -1 3 383.393 0.875 20 0 GCADHM CN(C)c1ncccc1CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825888947 607587356 /nfs/dbraw/zinc/58/73/56/607587356.db2.gz ZRCYRNOTBTUBTD-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824908958 607591334 /nfs/dbraw/zinc/59/13/34/607591334.db2.gz RYUCCRBLVUFBHH-RKDXNWHRSA-N -1 3 384.849 0.795 20 0 GCADHM COc1ccc(COC(=O)Cn2nnc3ccccc3c2=O)cc1-c1nnn[n-]1 ZINC000826205828 607597200 /nfs/dbraw/zinc/59/72/00/607597200.db2.gz PAZWEFXSXGQGDU-UHFFFAOYSA-N -1 3 393.363 0.724 20 0 GCADHM COc1ccc(COC(=O)Cn2nnc3ccccc3c2=O)cc1-c1nn[n-]n1 ZINC000826205828 607597201 /nfs/dbraw/zinc/59/72/01/607597201.db2.gz PAZWEFXSXGQGDU-UHFFFAOYSA-N -1 3 393.363 0.724 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)NCc1ccco1 ZINC000824641821 607599752 /nfs/dbraw/zinc/59/97/52/607599752.db2.gz ZOFCVFYCALRCPC-SECBINFHSA-N -1 3 394.388 0.582 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000826050760 607600405 /nfs/dbraw/zinc/60/04/05/607600405.db2.gz COBWIMJYLCCDMQ-UHFFFAOYSA-N -1 3 378.458 0.758 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000826050760 607600407 /nfs/dbraw/zinc/60/04/07/607600407.db2.gz COBWIMJYLCCDMQ-UHFFFAOYSA-N -1 3 378.458 0.758 20 0 GCADHM COc1ccc(COC(=O)CCN2CCCS2(=O)=O)cc1-c1nnn[n-]1 ZINC000826205306 607602167 /nfs/dbraw/zinc/60/21/67/607602167.db2.gz RJKZPVPPDZXPPX-UHFFFAOYSA-N -1 3 381.414 0.344 20 0 GCADHM COc1ccc(COC(=O)CCN2CCCS2(=O)=O)cc1-c1nn[n-]n1 ZINC000826205306 607602169 /nfs/dbraw/zinc/60/21/69/607602169.db2.gz RJKZPVPPDZXPPX-UHFFFAOYSA-N -1 3 381.414 0.344 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1-c1nnn[n-]1 ZINC000826303407 607602389 /nfs/dbraw/zinc/60/23/89/607602389.db2.gz NOUJKUILQDVYOY-QWHCGFSZSA-N -1 3 378.458 0.317 20 0 GCADHM O=C1NCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826482365 607602473 /nfs/dbraw/zinc/60/24/73/607602473.db2.gz BUPAFQAZCZRIMS-SECBINFHSA-N -1 3 390.347 0.442 20 0 GCADHM COc1ccc(COC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1-c1nnn[n-]1 ZINC000826205416 607602639 /nfs/dbraw/zinc/60/26/39/607602639.db2.gz VXZWJXHIZIVFSN-GFCCVEGCSA-N -1 3 399.411 0.835 20 0 GCADHM COc1ccc(COC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1-c1nn[n-]n1 ZINC000826205416 607602640 /nfs/dbraw/zinc/60/26/40/607602640.db2.gz VXZWJXHIZIVFSN-GFCCVEGCSA-N -1 3 399.411 0.835 20 0 GCADHM COc1ccc(COC(=O)c2cn3nc(C)cc3[nH]c2=O)cc1-c1nnn[n-]1 ZINC000826206314 607604846 /nfs/dbraw/zinc/60/48/46/607604846.db2.gz NDNJAXXMURIQNV-UHFFFAOYSA-N -1 3 381.352 0.877 20 0 GCADHM COc1ccc(COC(=O)c2cn3nc(C)cc3[nH]c2=O)cc1-c1nn[n-]n1 ZINC000826206314 607604848 /nfs/dbraw/zinc/60/48/48/607604848.db2.gz NDNJAXXMURIQNV-UHFFFAOYSA-N -1 3 381.352 0.877 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000826328930 607605113 /nfs/dbraw/zinc/60/51/13/607605113.db2.gz JOXHZAWHKLFRHY-JTQLQIEISA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000826328930 607605114 /nfs/dbraw/zinc/60/51/14/607605114.db2.gz JOXHZAWHKLFRHY-JTQLQIEISA-N -1 3 394.848 0.713 20 0 GCADHM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000824506430 607605468 /nfs/dbraw/zinc/60/54/68/607605468.db2.gz OJWZIVVBAMEMJG-SNVBAGLBSA-N -1 3 392.379 1.000 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824216632 607605887 /nfs/dbraw/zinc/60/58/87/607605887.db2.gz UEJUXRJHKALFCA-GFCCVEGCSA-N -1 3 384.849 0.665 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C1=O ZINC000825164853 607606771 /nfs/dbraw/zinc/60/67/71/607606771.db2.gz KXAVHLMVAIABCH-QGZVFWFLSA-N -1 3 387.400 0.212 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C1=O ZINC000825164853 607606773 /nfs/dbraw/zinc/60/67/73/607606773.db2.gz KXAVHLMVAIABCH-QGZVFWFLSA-N -1 3 387.400 0.212 20 0 GCADHM CC(=O)N1CCC(CNS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000823975549 607609117 /nfs/dbraw/zinc/60/91/17/607609117.db2.gz ZXYVUEXFHCJYRX-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM CC(=O)N1CCC(CNS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000823975549 607609119 /nfs/dbraw/zinc/60/91/19/607609119.db2.gz ZXYVUEXFHCJYRX-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM COCCN1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826159805 607610424 /nfs/dbraw/zinc/61/04/24/607610424.db2.gz SUUYDPKEDZDXOO-GFCCVEGCSA-N -1 3 384.437 0.395 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1nnc2n1CCC2 ZINC000824640959 607611097 /nfs/dbraw/zinc/61/10/97/607611097.db2.gz QHGHQUVNAJFGPX-QMMMGPOBSA-N -1 3 378.393 0.583 20 0 GCADHM COc1ccc(COC(=O)[C@H](NC(=O)C(C)(C)C)[C@@H](C)O)cc1-c1nnn[n-]1 ZINC000826204671 607611155 /nfs/dbraw/zinc/61/11/55/607611155.db2.gz VFVRAJAJEJAVHR-QMTHXVAHSA-N -1 3 391.428 0.830 20 0 GCADHM COc1ccc(COC(=O)[C@H](NC(=O)C(C)(C)C)[C@@H](C)O)cc1-c1nn[n-]n1 ZINC000826204671 607611157 /nfs/dbraw/zinc/61/11/57/607611157.db2.gz VFVRAJAJEJAVHR-QMTHXVAHSA-N -1 3 391.428 0.830 20 0 GCADHM NC(=O)C1CCC(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826389691 607612238 /nfs/dbraw/zinc/61/22/38/607612238.db2.gz FVWITLGZQUJRNI-UHFFFAOYSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)C1CCC(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000826389691 607612239 /nfs/dbraw/zinc/61/22/39/607612239.db2.gz FVWITLGZQUJRNI-UHFFFAOYSA-N -1 3 384.849 0.843 20 0 GCADHM CN1CCN(C)[C@H](CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826038374 607613397 /nfs/dbraw/zinc/61/33/97/607613397.db2.gz MAVOSZIVMUNXHZ-SNVBAGLBSA-N -1 3 385.881 0.044 20 0 GCADHM CN1CCN(C)[C@H](CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826038374 607613399 /nfs/dbraw/zinc/61/33/99/607613399.db2.gz MAVOSZIVMUNXHZ-SNVBAGLBSA-N -1 3 385.881 0.044 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000826496012 607614229 /nfs/dbraw/zinc/61/42/29/607614229.db2.gz IOCXDKYJKJUICP-LBPRGKRZSA-N -1 3 375.414 0.153 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000826496012 607614230 /nfs/dbraw/zinc/61/42/30/607614230.db2.gz IOCXDKYJKJUICP-LBPRGKRZSA-N -1 3 375.414 0.153 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)n1C ZINC000825883111 607615505 /nfs/dbraw/zinc/61/55/05/607615505.db2.gz BQPPISBHGNLWNW-UHFFFAOYSA-N -1 3 380.409 0.284 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)n1C ZINC000825883111 607615506 /nfs/dbraw/zinc/61/55/06/607615506.db2.gz BQPPISBHGNLWNW-UHFFFAOYSA-N -1 3 380.409 0.284 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826112236 607618257 /nfs/dbraw/zinc/61/82/57/607618257.db2.gz VQLHTIUICOGGRL-CYBMUJFWSA-N -1 3 378.364 0.784 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826112236 607618258 /nfs/dbraw/zinc/61/82/58/607618258.db2.gz VQLHTIUICOGGRL-CYBMUJFWSA-N -1 3 378.364 0.784 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1-c1nnn[n-]1 ZINC000826301756 607620435 /nfs/dbraw/zinc/62/04/35/607620435.db2.gz OYASHVDJXMPEOY-QWRGUYRKSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000826301756 607620437 /nfs/dbraw/zinc/62/04/37/607620437.db2.gz OYASHVDJXMPEOY-QWRGUYRKSA-N -1 3 385.471 0.371 20 0 GCADHM CC[C@@H](CO)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000825119288 607620805 /nfs/dbraw/zinc/62/08/05/607620805.db2.gz BTKYKYRNWMKDFQ-VIFPVBQESA-N -1 3 376.236 0.678 20 0 GCADHM CC[C@@H](CO)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000825119288 607620807 /nfs/dbraw/zinc/62/08/07/607620807.db2.gz BTKYKYRNWMKDFQ-VIFPVBQESA-N -1 3 376.236 0.678 20 0 GCADHM C[C@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@@H](O)Cc1ccccc1 ZINC000824499890 607621155 /nfs/dbraw/zinc/62/11/55/607621155.db2.gz RYMUXJAAAINHDN-BBRMVZONSA-N -1 3 396.455 0.965 20 0 GCADHM C[C@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@@H](O)Cc1ccccc1 ZINC000824499890 607621156 /nfs/dbraw/zinc/62/11/56/607621156.db2.gz RYMUXJAAAINHDN-BBRMVZONSA-N -1 3 396.455 0.965 20 0 GCADHM O=S(=O)(c1cc(Br)cc(-c2nnn[n-]2)c1)N1CCC(O)CC1 ZINC000826493906 607623367 /nfs/dbraw/zinc/62/33/67/607623367.db2.gz IHVWRMVILSOIKF-UHFFFAOYSA-N -1 3 388.247 0.775 20 0 GCADHM O=S(=O)(c1cc(Br)cc(-c2nn[n-]n2)c1)N1CCC(O)CC1 ZINC000826493906 607623369 /nfs/dbraw/zinc/62/33/69/607623369.db2.gz IHVWRMVILSOIKF-UHFFFAOYSA-N -1 3 388.247 0.775 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)o1 ZINC000826392872 607624162 /nfs/dbraw/zinc/62/41/62/607624162.db2.gz QJIAVLPJTIDVDJ-UHFFFAOYSA-N -1 3 381.396 0.957 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)o1 ZINC000826392872 607624163 /nfs/dbraw/zinc/62/41/63/607624163.db2.gz QJIAVLPJTIDVDJ-UHFFFAOYSA-N -1 3 381.396 0.957 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H](O)COCC(C)C)cc1-c1nnn[n-]1 ZINC000826200006 607624921 /nfs/dbraw/zinc/62/49/21/607624921.db2.gz VBNOEOXUZAXSGH-ZDUSSCGKSA-N -1 3 378.433 0.708 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H](O)COCC(C)C)cc1-c1nn[n-]n1 ZINC000826200006 607624924 /nfs/dbraw/zinc/62/49/24/607624924.db2.gz VBNOEOXUZAXSGH-ZDUSSCGKSA-N -1 3 378.433 0.708 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H](O)COc2ccccc2)c1-c1nnn[n-]1 ZINC000826302685 607626616 /nfs/dbraw/zinc/62/66/16/607626616.db2.gz PZJBPQGTJCVFHD-ZDUSSCGKSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H](O)COc2ccccc2)c1-c1nn[n-]n1 ZINC000826302685 607626618 /nfs/dbraw/zinc/62/66/18/607626618.db2.gz PZJBPQGTJCVFHD-ZDUSSCGKSA-N -1 3 389.437 0.893 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NC[C@@H](O)COc1ccccc1 ZINC000826487013 607627392 /nfs/dbraw/zinc/62/73/92/607627392.db2.gz ZZUAVEIFEWNIBZ-OAHLLOKOSA-N -1 3 389.437 0.726 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NC[C@@H](O)COc1ccccc1 ZINC000826487013 607627393 /nfs/dbraw/zinc/62/73/93/607627393.db2.gz ZZUAVEIFEWNIBZ-OAHLLOKOSA-N -1 3 389.437 0.726 20 0 GCADHM COc1ccc(CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1-c1nnn[n-]1 ZINC000826201203 607628102 /nfs/dbraw/zinc/62/81/02/607628102.db2.gz DWPHVBPJCBEKCI-UHFFFAOYSA-N -1 3 393.363 0.335 20 0 GCADHM COc1ccc(CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1-c1nn[n-]n1 ZINC000826201203 607628103 /nfs/dbraw/zinc/62/81/03/607628103.db2.gz DWPHVBPJCBEKCI-UHFFFAOYSA-N -1 3 393.363 0.335 20 0 GCADHM O=S(=O)(N[C@@H]1CCCc2c1cnn2CCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000826488461 607628433 /nfs/dbraw/zinc/62/84/33/607628433.db2.gz QMMCJQCSQQWASJ-CQSZACIVSA-N -1 3 389.441 0.411 20 0 GCADHM O=S(=O)(N[C@@H]1CCCc2c1cnn2CCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000826488461 607628435 /nfs/dbraw/zinc/62/84/35/607628435.db2.gz QMMCJQCSQQWASJ-CQSZACIVSA-N -1 3 389.441 0.411 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)s2)cc1-c1nnn[n-]1 ZINC000826201186 607629191 /nfs/dbraw/zinc/62/91/91/607629191.db2.gz CQYOFJMIXRXFQL-UHFFFAOYSA-N -1 3 394.438 0.514 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)s2)cc1-c1nn[n-]n1 ZINC000826201186 607629194 /nfs/dbraw/zinc/62/91/94/607629194.db2.gz CQYOFJMIXRXFQL-UHFFFAOYSA-N -1 3 394.438 0.514 20 0 GCADHM CC(C)(O)CNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824171531 607630104 /nfs/dbraw/zinc/63/01/04/607630104.db2.gz BGHIUSXIXXJSFH-UHFFFAOYSA-N -1 3 376.236 0.678 20 0 GCADHM CC(C)(O)CNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824171531 607630106 /nfs/dbraw/zinc/63/01/06/607630106.db2.gz BGHIUSXIXXJSFH-UHFFFAOYSA-N -1 3 376.236 0.678 20 0 GCADHM COCCN(CCO)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826158472 607630743 /nfs/dbraw/zinc/63/07/43/607630743.db2.gz QOAHTANIKSDMOT-UHFFFAOYSA-N -1 3 395.363 0.515 20 0 GCADHM COCCN(CCO)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826158472 607630744 /nfs/dbraw/zinc/63/07/44/607630744.db2.gz QOAHTANIKSDMOT-UHFFFAOYSA-N -1 3 395.363 0.515 20 0 GCADHM COc1cccc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826215404 607630988 /nfs/dbraw/zinc/63/09/88/607630988.db2.gz NZLBUQNUEZCWLK-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826215404 607630989 /nfs/dbraw/zinc/63/09/89/607630989.db2.gz NZLBUQNUEZCWLK-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826111611 607632187 /nfs/dbraw/zinc/63/21/87/607632187.db2.gz IEJTUNPDAMPLNJ-LBPRGKRZSA-N -1 3 380.792 0.301 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826111611 607632189 /nfs/dbraw/zinc/63/21/89/607632189.db2.gz IEJTUNPDAMPLNJ-LBPRGKRZSA-N -1 3 380.792 0.301 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCC1(CO)COC1 ZINC000826175886 607632206 /nfs/dbraw/zinc/63/22/06/607632206.db2.gz TZROMTIEIMDACQ-UHFFFAOYSA-N -1 3 377.401 0.159 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCC1(CO)COC1 ZINC000826175886 607632207 /nfs/dbraw/zinc/63/22/07/607632207.db2.gz TZROMTIEIMDACQ-UHFFFAOYSA-N -1 3 377.401 0.159 20 0 GCADHM O=C(NCCOc1ncccc1F)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826439014 607632832 /nfs/dbraw/zinc/63/28/32/607632832.db2.gz AZKKBOVRNMRJBX-UHFFFAOYSA-N -1 3 389.322 0.674 20 0 GCADHM O=C(NCCOc1ncccc1F)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826439014 607632833 /nfs/dbraw/zinc/63/28/33/607632833.db2.gz AZKKBOVRNMRJBX-UHFFFAOYSA-N -1 3 389.322 0.674 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N(CCO)Cc1cccnc1 ZINC000826494836 607633255 /nfs/dbraw/zinc/63/32/55/607633255.db2.gz RIFWHKREBWAIBP-UHFFFAOYSA-N -1 3 378.389 0.584 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N(CCO)Cc1cccnc1 ZINC000826494836 607633256 /nfs/dbraw/zinc/63/32/56/607633256.db2.gz RIFWHKREBWAIBP-UHFFFAOYSA-N -1 3 378.389 0.584 20 0 GCADHM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)N(CCO)CCCO ZINC000826494874 607634520 /nfs/dbraw/zinc/63/45/20/607634520.db2.gz STFKFUFISVCQGZ-UHFFFAOYSA-N -1 3 395.363 0.251 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000826493919 607634843 /nfs/dbraw/zinc/63/48/43/607634843.db2.gz IUNVCIOUSHWXTJ-QWRGUYRKSA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000826493919 607634844 /nfs/dbraw/zinc/63/48/44/607634844.db2.gz IUNVCIOUSHWXTJ-QWRGUYRKSA-N -1 3 377.348 0.943 20 0 GCADHM COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826154300 607636673 /nfs/dbraw/zinc/63/66/73/607636673.db2.gz MEBKXFWPAKHERW-CYBMUJFWSA-N -1 3 375.838 0.586 20 0 GCADHM COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826154300 607636674 /nfs/dbraw/zinc/63/66/74/607636674.db2.gz MEBKXFWPAKHERW-CYBMUJFWSA-N -1 3 375.838 0.586 20 0 GCADHM O=S(=O)(N[C@H](CO)C1CC1)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826487345 607638475 /nfs/dbraw/zinc/63/84/75/607638475.db2.gz LSQAXSBJRJFJRK-SNVBAGLBSA-N -1 3 377.348 0.935 20 0 GCADHM O=S(=O)(N[C@H](CO)C1CC1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826487345 607638476 /nfs/dbraw/zinc/63/84/76/607638476.db2.gz LSQAXSBJRJFJRK-SNVBAGLBSA-N -1 3 377.348 0.935 20 0 GCADHM COc1ccccc1[C@@H](CO)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826218963 607639500 /nfs/dbraw/zinc/63/95/00/607639500.db2.gz PJUGECSDQLNHBQ-CYBMUJFWSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@@H](CO)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826218963 607639502 /nfs/dbraw/zinc/63/95/02/607639502.db2.gz PJUGECSDQLNHBQ-CYBMUJFWSA-N -1 3 375.410 0.887 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCOC[C@@H]1C(F)(F)F ZINC000826495459 607640905 /nfs/dbraw/zinc/64/09/05/607640905.db2.gz PNWMXKVUOIRRGY-SNVBAGLBSA-N -1 3 381.311 0.958 20 0 GCADHM C[C@H](CO)[C@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824436780 607641327 /nfs/dbraw/zinc/64/13/27/607641327.db2.gz UXTZLJBGUXEONR-SFYZADRCSA-N -1 3 390.263 0.924 20 0 GCADHM C[C@H](CO)[C@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824436780 607641328 /nfs/dbraw/zinc/64/13/28/607641328.db2.gz UXTZLJBGUXEONR-SFYZADRCSA-N -1 3 390.263 0.924 20 0 GCADHM CC(C)COC[C@H](O)CN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000824271149 607641946 /nfs/dbraw/zinc/64/19/46/607641946.db2.gz LIDOHMWFWNIPRB-CQSZACIVSA-N -1 3 391.476 0.888 20 0 GCADHM CC(C)COC[C@H](O)CN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000824271149 607641948 /nfs/dbraw/zinc/64/19/48/607641948.db2.gz LIDOHMWFWNIPRB-CQSZACIVSA-N -1 3 391.476 0.888 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCC(Nc2cccnn2)CC1 ZINC000826496248 607642211 /nfs/dbraw/zinc/64/22/11/607642211.db2.gz PRBBUAXIGURMSL-UHFFFAOYSA-N -1 3 386.441 0.922 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCC(Nc2cccnn2)CC1 ZINC000826496248 607642212 /nfs/dbraw/zinc/64/22/12/607642212.db2.gz PRBBUAXIGURMSL-UHFFFAOYSA-N -1 3 386.441 0.922 20 0 GCADHM CCO[C@H]1C[C@H](O)C12CCN(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000825581514 607643869 /nfs/dbraw/zinc/64/38/69/607643869.db2.gz BYUVRFVGFCRHJO-GJZGRUSLSA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@H]1C[C@H](O)C12CCN(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000825581514 607643871 /nfs/dbraw/zinc/64/38/71/607643871.db2.gz BYUVRFVGFCRHJO-GJZGRUSLSA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000825583230 607644012 /nfs/dbraw/zinc/64/40/12/607644012.db2.gz SIOZXHWZPQWDCY-CABCVRRESA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825583230 607644014 /nfs/dbraw/zinc/64/40/14/607644014.db2.gz SIOZXHWZPQWDCY-CABCVRRESA-N -1 3 393.469 0.807 20 0 GCADHM CN([C@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825888054 607645404 /nfs/dbraw/zinc/64/54/04/607645404.db2.gz NFSYTNHHRZBCQM-GXTWGEPZSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825888054 607645406 /nfs/dbraw/zinc/64/54/06/607645406.db2.gz NFSYTNHHRZBCQM-GXTWGEPZSA-N -1 3 399.498 0.843 20 0 GCADHM COc1cccc([C@@H](CO)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826215480 607645551 /nfs/dbraw/zinc/64/55/51/607645551.db2.gz PTELCUNFZWSXHO-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@@H](CO)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826215480 607645553 /nfs/dbraw/zinc/64/55/53/607645553.db2.gz PTELCUNFZWSXHO-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM CN([C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825888061 607645796 /nfs/dbraw/zinc/64/57/96/607645796.db2.gz NFSYTNHHRZBCQM-OCCSQVGLSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825888061 607645798 /nfs/dbraw/zinc/64/57/98/607645798.db2.gz NFSYTNHHRZBCQM-OCCSQVGLSA-N -1 3 399.498 0.843 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC000824706781 607648542 /nfs/dbraw/zinc/64/85/42/607648542.db2.gz JHZUBDVFSDIYKN-QWRGUYRKSA-N -1 3 384.437 0.081 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC000824706781 607648544 /nfs/dbraw/zinc/64/85/44/607648544.db2.gz 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CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCN1C[C@@H](C)O ZINC000825210920 607650156 /nfs/dbraw/zinc/65/01/56/607650156.db2.gz KCMMQWYUNRNFGG-DGCLKSJQSA-N -1 3 398.464 0.472 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CCN1C[C@H](C)O ZINC000825209997 607650232 /nfs/dbraw/zinc/65/02/32/607650232.db2.gz DOMDUOKQDWMCOM-UONOGXRCSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CCN1C[C@H](C)O ZINC000825209997 607650235 /nfs/dbraw/zinc/65/02/35/607650235.db2.gz DOMDUOKQDWMCOM-UONOGXRCSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1C[C@@H](C)O ZINC000825213194 607650670 /nfs/dbraw/zinc/65/06/70/607650670.db2.gz WPEVVZDFHVLOSU-TZMCWYRMSA-N -1 3 380.474 0.332 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1C[C@@H](C)O ZINC000825213194 607650672 /nfs/dbraw/zinc/65/06/72/607650672.db2.gz WPEVVZDFHVLOSU-TZMCWYRMSA-N -1 3 380.474 0.332 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCN1C[C@@H](C)O 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0.212 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826292801 607689999 /nfs/dbraw/zinc/68/99/99/607689999.db2.gz MMFNGMWDAAGGHU-UHFFFAOYSA-N -1 3 375.414 0.212 20 0 GCADHM CCOC(=O)C1(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCC1 ZINC000825492038 607690068 /nfs/dbraw/zinc/69/00/68/607690068.db2.gz CMHZHDONBRKPIM-UHFFFAOYSA-N -1 3 385.428 0.644 20 0 GCADHM CCOC(=O)C1(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCC1 ZINC000825492038 607690070 /nfs/dbraw/zinc/69/00/70/607690070.db2.gz CMHZHDONBRKPIM-UHFFFAOYSA-N -1 3 385.428 0.644 20 0 GCADHM O=C1NCCCN1C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826482774 607690182 /nfs/dbraw/zinc/69/01/82/607690182.db2.gz PSRKFKLOYKVUFY-UHFFFAOYSA-N -1 3 391.457 0.435 20 0 GCADHM O=C1NCCCN1C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826482774 607690183 /nfs/dbraw/zinc/69/01/83/607690183.db2.gz PSRKFKLOYKVUFY-UHFFFAOYSA-N -1 3 391.457 0.435 20 0 GCADHM Cn1cc(S(=O)(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1C(N)=O ZINC000826362107 607691275 /nfs/dbraw/zinc/69/12/75/607691275.db2.gz DGPNENRUMNWNDD-UHFFFAOYSA-N -1 3 387.425 0.272 20 0 GCADHM Cn1cc(S(=O)(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1C(N)=O ZINC000826362107 607691277 /nfs/dbraw/zinc/69/12/77/607691277.db2.gz DGPNENRUMNWNDD-UHFFFAOYSA-N -1 3 387.425 0.272 20 0 GCADHM COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1 ZINC000826187556 607692146 /nfs/dbraw/zinc/69/21/46/607692146.db2.gz VZMNGTQWUZEURW-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1 ZINC000826187556 607692147 /nfs/dbraw/zinc/69/21/47/607692147.db2.gz VZMNGTQWUZEURW-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM O=C([O-])C1(NCCS(=O)(=O)c2ccc(Cl)cc2)CCS(=O)(=O)CC1 ZINC000833175523 604439023 /nfs/dbraw/zinc/43/90/23/604439023.db2.gz FLVYQHZCXOLJGO-UHFFFAOYSA-N -1 3 395.886 0.735 20 0 GCADHM COCCN(CCOC)S(=O)(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826158522 607692689 /nfs/dbraw/zinc/69/26/89/607692689.db2.gz SHFGAZPBHSWART-UHFFFAOYSA-N -1 3 396.473 0.285 20 0 GCADHM COCCN(CCOC)S(=O)(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826158522 607692691 /nfs/dbraw/zinc/69/26/91/607692691.db2.gz SHFGAZPBHSWART-UHFFFAOYSA-N -1 3 396.473 0.285 20 0 GCADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@@H](CNS(N)(=O)=O)C2)c1 ZINC000832040959 604467857 /nfs/dbraw/zinc/46/78/57/604467857.db2.gz MLHIMGIMQIBXBF-NHYWBVRUSA-N -1 3 387.458 0.335 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cn1 ZINC000826160548 607695306 /nfs/dbraw/zinc/69/53/06/607695306.db2.gz WGKQWZNWYJCIKY-UHFFFAOYSA-N -1 3 384.400 0.387 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)cn1 ZINC000826160548 607695307 /nfs/dbraw/zinc/69/53/07/607695307.db2.gz WGKQWZNWYJCIKY-UHFFFAOYSA-N -1 3 384.400 0.387 20 0 GCADHM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826437708 607696737 /nfs/dbraw/zinc/69/67/37/607696737.db2.gz XXVAMVICLHOWNK-UHFFFAOYSA-N -1 3 384.419 0.886 20 0 GCADHM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826437708 607696738 /nfs/dbraw/zinc/69/67/38/607696738.db2.gz XXVAMVICLHOWNK-UHFFFAOYSA-N -1 3 384.419 0.886 20 0 GCADHM COc1ccc(S(=O)(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1C(=O)[O-] ZINC000833734526 604541355 /nfs/dbraw/zinc/54/13/55/604541355.db2.gz LAAMMNQJFPIQHV-UHFFFAOYSA-N -1 3 395.437 0.918 20 0 GCADHM CN1CCN(C(=O)c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)CC1 ZINC000826038030 607697928 /nfs/dbraw/zinc/69/79/28/607697928.db2.gz GRLDWRGXSKHLGK-UHFFFAOYSA-N -1 3 394.439 0.512 20 0 GCADHM CN1CCN(C(=O)c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)CC1 ZINC000826038030 607697929 /nfs/dbraw/zinc/69/79/29/607697929.db2.gz GRLDWRGXSKHLGK-UHFFFAOYSA-N -1 3 394.439 0.512 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000826244422 607698423 /nfs/dbraw/zinc/69/84/23/607698423.db2.gz RKRVBCQELOOGGB-SFHVURJKSA-N -1 3 383.412 0.625 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000826244422 607698424 /nfs/dbraw/zinc/69/84/24/607698424.db2.gz RKRVBCQELOOGGB-SFHVURJKSA-N -1 3 383.412 0.625 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000826246614 607698600 /nfs/dbraw/zinc/69/86/00/607698600.db2.gz HQDZREXSJPAFNZ-ABAIWWIYSA-N -1 3 380.412 0.832 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000826246614 607698601 /nfs/dbraw/zinc/69/86/01/607698601.db2.gz HQDZREXSJPAFNZ-ABAIWWIYSA-N -1 3 380.412 0.832 20 0 GCADHM O=C(Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1)N1CCOCC1 ZINC000826453781 607698591 /nfs/dbraw/zinc/69/85/91/607698591.db2.gz ZJSQWIZLGVBZPU-UHFFFAOYSA-N -1 3 381.396 0.848 20 0 GCADHM O=C(Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1)N1CCOCC1 ZINC000826453781 607698594 /nfs/dbraw/zinc/69/85/94/607698594.db2.gz ZJSQWIZLGVBZPU-UHFFFAOYSA-N -1 3 381.396 0.848 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)C[C@@H]2C)CC1 ZINC000823981010 607700966 /nfs/dbraw/zinc/70/09/66/607700966.db2.gz JBTZAEFRYRVGMI-KSSFIOAISA-N -1 3 397.483 0.800 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)C[C@@H]2C)CC1 ZINC000823981010 607700968 /nfs/dbraw/zinc/70/09/68/607700968.db2.gz JBTZAEFRYRVGMI-KSSFIOAISA-N -1 3 397.483 0.800 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000824109070 607701511 /nfs/dbraw/zinc/70/15/11/607701511.db2.gz MNWRUMYQCIMDHM-UHFFFAOYSA-N -1 3 390.448 0.477 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000824109070 607701513 /nfs/dbraw/zinc/70/15/13/607701513.db2.gz MNWRUMYQCIMDHM-UHFFFAOYSA-N -1 3 390.448 0.477 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000826244813 607701995 /nfs/dbraw/zinc/70/19/95/607701995.db2.gz DSGFRMPLBOBHFU-KPZWWZAWSA-N -1 3 383.412 0.625 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000826244813 607701996 /nfs/dbraw/zinc/70/19/96/607701996.db2.gz DSGFRMPLBOBHFU-KPZWWZAWSA-N -1 3 383.412 0.625 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000826245457 607703084 /nfs/dbraw/zinc/70/30/84/607703084.db2.gz YNAYBQBPEJEWPB-OAHLLOKOSA-N -1 3 397.483 0.944 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000826245457 607703086 /nfs/dbraw/zinc/70/30/86/607703086.db2.gz YNAYBQBPEJEWPB-OAHLLOKOSA-N -1 3 397.483 0.944 20 0 GCADHM Cn1c2cc(C(=O)NCCNc3ncccc3-c3nnn[n-]3)ccc2[nH]c1=O ZINC000826354397 607707547 /nfs/dbraw/zinc/70/75/47/607707547.db2.gz BELSAJBURJQIQF-UHFFFAOYSA-N -1 3 379.384 0.696 20 0 GCADHM Cn1c2cc(C(=O)NCCNc3ncccc3-c3nn[n-]n3)ccc2[nH]c1=O ZINC000826354397 607707549 /nfs/dbraw/zinc/70/75/49/607707549.db2.gz BELSAJBURJQIQF-UHFFFAOYSA-N -1 3 379.384 0.696 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000826471710 607711441 /nfs/dbraw/zinc/71/14/41/607711441.db2.gz KBZOPVWGJIHAOC-UHFFFAOYSA-N -1 3 377.359 0.744 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000826471710 607711442 /nfs/dbraw/zinc/71/14/42/607711442.db2.gz KBZOPVWGJIHAOC-UHFFFAOYSA-N -1 3 377.359 0.744 20 0 GCADHM CN(C)C[C@@H]1CN(CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CCO1 ZINC000830601566 604756069 /nfs/dbraw/zinc/75/60/69/604756069.db2.gz ZFIUXDCNRAABPH-CRAIPNDOSA-N -1 3 388.468 0.984 20 0 GCADHM COC(=O)c1cc(NC(=O)CN2CCO[C@@H](CN(C)C)C2)cc(C(=O)[O-])c1 ZINC000831270263 604759751 /nfs/dbraw/zinc/75/97/51/604759751.db2.gz VCXZLJINKBTTOD-HNNXBMFYSA-N -1 3 379.413 0.372 20 0 GCADHM Cc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1 ZINC000826291973 607715622 /nfs/dbraw/zinc/71/56/22/607715622.db2.gz CRKOZUFDHDKKAM-UHFFFAOYSA-N -1 3 395.423 0.867 20 0 GCADHM Cc1ccc(OCC(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1 ZINC000826291973 607715623 /nfs/dbraw/zinc/71/56/23/607715623.db2.gz CRKOZUFDHDKKAM-UHFFFAOYSA-N -1 3 395.423 0.867 20 0 GCADHM CC(C)Cn1c(N)c(C(=O)CN[C@@]2(C)CCCC[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000833494361 604820808 /nfs/dbraw/zinc/82/08/08/604820808.db2.gz PMFFPNFGULZRCA-ZMZPIMSZSA-N -1 3 380.445 0.993 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1)NCc1ccccc1 ZINC000826425675 607721381 /nfs/dbraw/zinc/72/13/81/607721381.db2.gz OHJSDFWJAMKPCK-UHFFFAOYSA-N -1 3 392.383 0.355 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1)NCc1ccccc1 ZINC000826425675 607721382 /nfs/dbraw/zinc/72/13/82/607721382.db2.gz OHJSDFWJAMKPCK-UHFFFAOYSA-N -1 3 392.383 0.355 20 0 GCADHM COC[C@](C)(CC(=O)[O-])NCC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC ZINC000833722406 604953994 /nfs/dbraw/zinc/95/39/94/604953994.db2.gz UHZRBWIETZWLIS-KXBFYZLASA-N -1 3 378.425 0.582 20 0 GCADHM O=C([O-])Cn1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000833276081 604957879 /nfs/dbraw/zinc/95/78/79/604957879.db2.gz MPJYXLNGLCKAGJ-CVEARBPZSA-N -1 3 387.440 0.972 20 0 GCADHM O=C([O-])Cn1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000833276086 604958080 /nfs/dbraw/zinc/95/80/80/604958080.db2.gz MPJYXLNGLCKAGJ-HZPDHXFCSA-N -1 3 387.440 0.972 20 0 GCADHM O=C([O-])[C@@H](O)C1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000833771094 604980853 /nfs/dbraw/zinc/98/08/53/604980853.db2.gz VMBHLGSSDLDEMJ-CABCVRRESA-N -1 3 377.397 0.022 20 0 GCADHM O=C(NCCCO)C1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000826436903 607727877 /nfs/dbraw/zinc/72/78/77/607727877.db2.gz NXBAVWRABFGAMZ-UHFFFAOYSA-N -1 3 399.377 0.996 20 0 GCADHM O=C(NCCCO)C1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000826436903 607727878 /nfs/dbraw/zinc/72/78/78/607727878.db2.gz NXBAVWRABFGAMZ-UHFFFAOYSA-N -1 3 399.377 0.996 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000824776484 607735713 /nfs/dbraw/zinc/73/57/13/607735713.db2.gz BGUSLHDBNVFABC-JTQLQIEISA-N -1 3 383.416 0.974 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000824776484 607735714 /nfs/dbraw/zinc/73/57/14/607735714.db2.gz BGUSLHDBNVFABC-JTQLQIEISA-N -1 3 383.416 0.974 20 0 GCADHM CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)no1 ZINC000824142426 607740401 /nfs/dbraw/zinc/74/04/01/607740401.db2.gz SHWPWNZSBMXDTO-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)no1 ZINC000824142426 607740402 /nfs/dbraw/zinc/74/04/02/607740402.db2.gz SHWPWNZSBMXDTO-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM O=S(=O)(NC[C@@H](O)C1CC1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826489532 607742344 /nfs/dbraw/zinc/74/23/44/607742344.db2.gz SLQNHCKYLJZVQW-LLVKDONJSA-N -1 3 388.247 0.678 20 0 GCADHM O=S(=O)(NC[C@@H](O)C1CC1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826489532 607742345 /nfs/dbraw/zinc/74/23/45/607742345.db2.gz SLQNHCKYLJZVQW-LLVKDONJSA-N -1 3 388.247 0.678 20 0 GCADHM NC(=O)c1cc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)on1 ZINC000826392910 607743177 /nfs/dbraw/zinc/74/31/77/607743177.db2.gz SPUKAENJGAMCIK-UHFFFAOYSA-N -1 3 383.777 0.086 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826254784 607744335 /nfs/dbraw/zinc/74/43/35/607744335.db2.gz AKJVRKVDWBYZTG-CYBMUJFWSA-N -1 3 388.457 0.868 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826254784 607744336 /nfs/dbraw/zinc/74/43/36/607744336.db2.gz AKJVRKVDWBYZTG-CYBMUJFWSA-N -1 3 388.457 0.868 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000823972792 607745970 /nfs/dbraw/zinc/74/59/70/607745970.db2.gz GZEMYPNRUCMMPU-RNCFNFMXSA-N -1 3 382.421 0.541 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000823973573 607746455 /nfs/dbraw/zinc/74/64/55/607746455.db2.gz KVROXOPUDVISDD-OTYXRUKQSA-N -1 3 382.421 0.541 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000823973573 607746456 /nfs/dbraw/zinc/74/64/56/607746456.db2.gz KVROXOPUDVISDD-OTYXRUKQSA-N -1 3 382.421 0.541 20 0 GCADHM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2=O)c1 ZINC000826181244 607746600 /nfs/dbraw/zinc/74/66/00/607746600.db2.gz QVPZZHWPTXGRDF-OAHLLOKOSA-N -1 3 397.395 0.747 20 0 GCADHM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2=O)c1 ZINC000826181244 607746601 /nfs/dbraw/zinc/74/66/01/607746601.db2.gz QVPZZHWPTXGRDF-OAHLLOKOSA-N -1 3 397.395 0.747 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC000824991592 607746977 /nfs/dbraw/zinc/74/69/77/607746977.db2.gz CMLULLKYALTMSU-WDEREUQCSA-N -1 3 381.462 0.373 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC000824991592 607746978 /nfs/dbraw/zinc/74/69/78/607746978.db2.gz CMLULLKYALTMSU-WDEREUQCSA-N -1 3 381.462 0.373 20 0 GCADHM COc1cc(C[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc(OC)c1 ZINC000826179050 607749591 /nfs/dbraw/zinc/74/95/91/607749591.db2.gz XBGYQGLWBURFBM-GFCCVEGCSA-N -1 3 386.412 0.793 20 0 GCADHM COc1cc(C[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc(OC)c1 ZINC000826179050 607749592 /nfs/dbraw/zinc/74/95/92/607749592.db2.gz XBGYQGLWBURFBM-GFCCVEGCSA-N -1 3 386.412 0.793 20 0 GCADHM O=S(=O)(C[C@@H](O)CNCc1ccc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000826484608 607753238 /nfs/dbraw/zinc/75/32/38/607753238.db2.gz 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CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000821400954 606174686 /nfs/dbraw/zinc/17/46/86/606174686.db2.gz QUMILYFIALBSEA-OLZOCXBDSA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000821400954 606174687 /nfs/dbraw/zinc/17/46/87/606174687.db2.gz QUMILYFIALBSEA-OLZOCXBDSA-N -1 3 388.428 0.871 20 0 GCADHM CCCc1noc(C[S@](=O)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821143014 606179701 /nfs/dbraw/zinc/17/97/01/606179701.db2.gz OKDUZXCYACQTQR-HHHXNRCGSA-N -1 3 389.441 0.767 20 0 GCADHM O=C(C[S@](=O)Cc1nc(C2CC2)no1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823055381 606181383 /nfs/dbraw/zinc/18/13/83/606181383.db2.gz NPFYBQAREPQXBE-MHZLTWQESA-N -1 3 387.425 0.692 20 0 GCADHM NC(=O)C1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)CCC1 ZINC000822850192 606183805 /nfs/dbraw/zinc/18/38/05/606183805.db2.gz ANSZOVCAYZOZIH-UHFFFAOYSA-N -1 3 397.439 0.699 20 0 GCADHM NC(=O)C1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)CCC1 ZINC000822850192 606183807 /nfs/dbraw/zinc/18/38/07/606183807.db2.gz ANSZOVCAYZOZIH-UHFFFAOYSA-N -1 3 397.439 0.699 20 0 GCADHM CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821630478 606184703 /nfs/dbraw/zinc/18/47/03/606184703.db2.gz ZHNNWBQBGAGJOT-MRVPVSSYSA-N -1 3 379.808 0.299 20 0 GCADHM CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821630478 606184706 /nfs/dbraw/zinc/18/47/06/606184706.db2.gz ZHNNWBQBGAGJOT-MRVPVSSYSA-N -1 3 379.808 0.299 20 0 GCADHM C[C@@H]1CN=C(N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)S1 ZINC000820803810 606185732 /nfs/dbraw/zinc/18/57/32/606185732.db2.gz HOWPWUDTJPNLNG-BXUZGUMPSA-N -1 3 386.485 0.502 20 0 GCADHM C[C@@H]1CN=C(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)S1 ZINC000820803810 606185733 /nfs/dbraw/zinc/18/57/33/606185733.db2.gz HOWPWUDTJPNLNG-BXUZGUMPSA-N -1 3 386.485 0.502 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820037778 606186434 /nfs/dbraw/zinc/18/64/34/606186434.db2.gz HTXYXHZCZJINQV-AWEZNQCLSA-N -1 3 378.458 0.097 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820037778 606186436 /nfs/dbraw/zinc/18/64/36/606186436.db2.gz HTXYXHZCZJINQV-AWEZNQCLSA-N -1 3 378.458 0.097 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820295050 606188792 /nfs/dbraw/zinc/18/87/92/606188792.db2.gz XHBXXFKKWAMGAK-NSHDSACASA-N -1 3 387.487 0.005 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820295050 606188794 /nfs/dbraw/zinc/18/87/94/606188794.db2.gz XHBXXFKKWAMGAK-NSHDSACASA-N -1 3 387.487 0.005 20 0 GCADHM COC(=O)CCN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821661330 606189871 /nfs/dbraw/zinc/18/98/71/606189871.db2.gz DCMRCSYPMQMQJX-UHFFFAOYSA-N -1 3 381.458 0.914 20 0 GCADHM COC(=O)CCN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821661330 606189874 /nfs/dbraw/zinc/18/98/74/606189874.db2.gz DCMRCSYPMQMQJX-UHFFFAOYSA-N -1 3 381.458 0.914 20 0 GCADHM CO[C@@H](C)c1noc(CN(C)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821675941 606191954 /nfs/dbraw/zinc/19/19/54/606191954.db2.gz WXRWZUZNPGNMOC-WCQYABFASA-N -1 3 389.416 0.829 20 0 GCADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821655305 606192484 /nfs/dbraw/zinc/19/24/84/606192484.db2.gz IWKPSHRWZOHRQN-MCIONIFRSA-N -1 3 387.396 0.916 20 0 GCADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821655305 606192485 /nfs/dbraw/zinc/19/24/85/606192485.db2.gz IWKPSHRWZOHRQN-MCIONIFRSA-N -1 3 387.396 0.916 20 0 GCADHM CNC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000821634018 606198180 /nfs/dbraw/zinc/19/81/80/606198180.db2.gz OEJJMWIAAIPYJJ-JTQLQIEISA-N -1 3 392.851 0.804 20 0 GCADHM CNC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000821634018 606198181 /nfs/dbraw/zinc/19/81/81/606198181.db2.gz OEJJMWIAAIPYJJ-JTQLQIEISA-N -1 3 392.851 0.804 20 0 GCADHM CNC(=O)N1CCN(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000821633760 606198194 /nfs/dbraw/zinc/19/81/94/606198194.db2.gz BZKNLUBKFGEHPL-UHFFFAOYSA-N -1 3 392.851 0.806 20 0 GCADHM CNC(=O)N1CCN(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000821633760 606198196 /nfs/dbraw/zinc/19/81/96/606198196.db2.gz BZKNLUBKFGEHPL-UHFFFAOYSA-N -1 3 392.851 0.806 20 0 GCADHM O=C(CN1C[C@@H](O)[C@@H](O)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823002248 606198783 /nfs/dbraw/zinc/19/87/83/606198783.db2.gz VSVZRWZZHDTPLT-PHIMTYICSA-N -1 3 378.458 0.173 20 0 GCADHM O=C(CN1C[C@@H](O)[C@@H](O)C1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823002248 606198785 /nfs/dbraw/zinc/19/87/85/606198785.db2.gz VSVZRWZZHDTPLT-PHIMTYICSA-N -1 3 378.458 0.173 20 0 GCADHM O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)N1C[C@@H](O)[C@@H](O)C1 ZINC000823383668 606206153 /nfs/dbraw/zinc/20/61/53/606206153.db2.gz XCFFWOMJYBQROL-BETUJISGSA-N -1 3 387.425 0.483 20 0 GCADHM O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)N1C[C@@H](O)[C@@H](O)C1 ZINC000823383668 606206154 /nfs/dbraw/zinc/20/61/54/606206154.db2.gz XCFFWOMJYBQROL-BETUJISGSA-N -1 3 387.425 0.483 20 0 GCADHM CCOC(=O)CSc1nnc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)s1 ZINC000821334012 606208612 /nfs/dbraw/zinc/20/86/12/606208612.db2.gz DVGDLHLUJXAVOU-UHFFFAOYSA-N -1 3 394.442 0.964 20 0 GCADHM CCOC(=O)CSc1nnc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)s1 ZINC000821334012 606208613 /nfs/dbraw/zinc/20/86/13/606208613.db2.gz DVGDLHLUJXAVOU-UHFFFAOYSA-N -1 3 394.442 0.964 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000822637050 606210741 /nfs/dbraw/zinc/21/07/41/606210741.db2.gz NRYDCKMVCVMOSB-INIZCTEOSA-N -1 3 381.440 0.836 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000822637050 606210742 /nfs/dbraw/zinc/21/07/42/606210742.db2.gz NRYDCKMVCVMOSB-INIZCTEOSA-N -1 3 381.440 0.836 20 0 GCADHM Cc1cc(N2CCN(c3nc(C)cc(C)c3-c3nnn[n-]3)CC2)n2ncnc2n1 ZINC000822193248 606214848 /nfs/dbraw/zinc/21/48/48/606214848.db2.gz PQJKLLRLMMPZFC-UHFFFAOYSA-N -1 3 391.443 0.951 20 0 GCADHM Cc1cc(N2CCN(c3nc(C)cc(C)c3-c3nn[n-]n3)CC2)n2ncnc2n1 ZINC000822193248 606214849 /nfs/dbraw/zinc/21/48/49/606214849.db2.gz PQJKLLRLMMPZFC-UHFFFAOYSA-N -1 3 391.443 0.951 20 0 GCADHM CON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821696592 606214907 /nfs/dbraw/zinc/21/49/07/606214907.db2.gz ISEAZBNKPCCXEN-UHFFFAOYSA-N -1 3 391.413 0.639 20 0 GCADHM CON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821696592 606214909 /nfs/dbraw/zinc/21/49/09/606214909.db2.gz ISEAZBNKPCCXEN-UHFFFAOYSA-N -1 3 391.413 0.639 20 0 GCADHM CN(c1ccc(OC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1)S(C)(=O)=O ZINC000821619270 606227737 /nfs/dbraw/zinc/22/77/37/606227737.db2.gz PPYUISMYCLHJGV-UHFFFAOYSA-N -1 3 376.398 0.820 20 0 GCADHM CN(c1ccc(OC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1)S(C)(=O)=O ZINC000821619270 606227739 /nfs/dbraw/zinc/22/77/39/606227739.db2.gz PPYUISMYCLHJGV-UHFFFAOYSA-N -1 3 376.398 0.820 20 0 GCADHM NS(=O)(=O)c1ccc(OCCOC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822899868 606229439 /nfs/dbraw/zinc/22/94/39/606229439.db2.gz WSDPMRWVIMOLBN-UHFFFAOYSA-N -1 3 378.370 0.078 20 0 GCADHM NS(=O)(=O)c1ccc(OCCOC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822899868 606229440 /nfs/dbraw/zinc/22/94/40/606229440.db2.gz WSDPMRWVIMOLBN-UHFFFAOYSA-N -1 3 378.370 0.078 20 0 GCADHM CN(C[C@@H](O)CN1CCOCC1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821594842 606229568 /nfs/dbraw/zinc/22/95/68/606229568.db2.gz DQYHTMOGUBYITH-SNVBAGLBSA-N -1 3 387.366 0.410 20 0 GCADHM CN(C[C@@H](O)CN1CCOCC1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821594842 606229570 /nfs/dbraw/zinc/22/95/70/606229570.db2.gz DQYHTMOGUBYITH-SNVBAGLBSA-N -1 3 387.366 0.410 20 0 GCADHM CC(C)[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000820028473 606230397 /nfs/dbraw/zinc/23/03/97/606230397.db2.gz ZUQJTYXMJCEZHE-GWCFXTLKSA-N -1 3 389.416 0.100 20 0 GCADHM CC(C)[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000820028473 606230399 /nfs/dbraw/zinc/23/03/99/606230399.db2.gz ZUQJTYXMJCEZHE-GWCFXTLKSA-N -1 3 389.416 0.100 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000822650142 606231474 /nfs/dbraw/zinc/23/14/74/606231474.db2.gz PVHDZYUYBKYUOG-QGZVFWFLSA-N -1 3 380.368 0.512 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 ZINC000822650142 606231475 /nfs/dbraw/zinc/23/14/75/606231475.db2.gz PVHDZYUYBKYUOG-QGZVFWFLSA-N -1 3 380.368 0.512 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000823022449 606234721 /nfs/dbraw/zinc/23/47/21/606234721.db2.gz GTOKIGLDXVHWKT-UHFFFAOYSA-N -1 3 395.379 0.883 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000823022449 606234722 /nfs/dbraw/zinc/23/47/22/606234722.db2.gz GTOKIGLDXVHWKT-UHFFFAOYSA-N -1 3 395.379 0.883 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000820769924 606238573 /nfs/dbraw/zinc/23/85/73/606238573.db2.gz XTPFNLKNOLWTDY-NHYWBVRUSA-N -1 3 396.448 0.347 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000820769924 606238574 /nfs/dbraw/zinc/23/85/74/606238574.db2.gz XTPFNLKNOLWTDY-NHYWBVRUSA-N -1 3 396.448 0.347 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000822145624 606239356 /nfs/dbraw/zinc/23/93/56/606239356.db2.gz SLXMBFMLWAPBAI-CQSZACIVSA-N -1 3 389.441 0.671 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000822145624 606239358 /nfs/dbraw/zinc/23/93/58/606239358.db2.gz SLXMBFMLWAPBAI-CQSZACIVSA-N -1 3 389.441 0.671 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(O[C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822894747 606244142 /nfs/dbraw/zinc/24/41/42/606244142.db2.gz FUNGGJJQOJWDFR-GFCCVEGCSA-N -1 3 394.457 0.288 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(O[C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822894747 606244143 /nfs/dbraw/zinc/24/41/43/606244143.db2.gz FUNGGJJQOJWDFR-GFCCVEGCSA-N -1 3 394.457 0.288 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000822631761 606247414 /nfs/dbraw/zinc/24/74/14/606247414.db2.gz HMPOCKJPHFRPGM-LBPRGKRZSA-N -1 3 393.498 0.296 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000822631761 606247415 /nfs/dbraw/zinc/24/74/15/606247415.db2.gz HMPOCKJPHFRPGM-LBPRGKRZSA-N -1 3 393.498 0.296 20 0 GCADHM NC(=O)C(NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1)C(N)=O ZINC000822850738 606251592 /nfs/dbraw/zinc/25/15/92/606251592.db2.gz PGBGSKHMXKEUMT-UHFFFAOYSA-N -1 3 397.420 0.087 20 0 GCADHM NC(=O)C(NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1)C(N)=O ZINC000822850738 606251593 /nfs/dbraw/zinc/25/15/93/606251593.db2.gz PGBGSKHMXKEUMT-UHFFFAOYSA-N -1 3 397.420 0.087 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821588111 606256296 /nfs/dbraw/zinc/25/62/96/606256296.db2.gz BGRKMYUDMOFMOU-UHFFFAOYSA-N -1 3 393.404 0.847 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821588111 606256299 /nfs/dbraw/zinc/25/62/99/606256299.db2.gz BGRKMYUDMOFMOU-UHFFFAOYSA-N -1 3 393.404 0.847 20 0 GCADHM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821637336 606260935 /nfs/dbraw/zinc/26/09/35/606260935.db2.gz BNRRMACSLMMCJY-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821637336 606260936 /nfs/dbraw/zinc/26/09/36/606260936.db2.gz BNRRMACSLMMCJY-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM COc1cccc(CC(=O)N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)c1 ZINC000821863725 606263626 /nfs/dbraw/zinc/26/36/26/606263626.db2.gz NLOHXYQCOKILSM-UHFFFAOYSA-N -1 3 395.423 0.731 20 0 GCADHM COc1cccc(CC(=O)N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)c1 ZINC000821863725 606263628 /nfs/dbraw/zinc/26/36/28/606263628.db2.gz NLOHXYQCOKILSM-UHFFFAOYSA-N -1 3 395.423 0.731 20 0 GCADHM O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823257481 606264412 /nfs/dbraw/zinc/26/44/12/606264412.db2.gz OHCYYPOXQLCKTG-UHFFFAOYSA-N -1 3 381.396 0.597 20 0 GCADHM O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823257481 606264414 /nfs/dbraw/zinc/26/44/14/606264414.db2.gz OHCYYPOXQLCKTG-UHFFFAOYSA-N -1 3 381.396 0.597 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000820384624 606267299 /nfs/dbraw/zinc/26/72/99/606267299.db2.gz JHJDGPHCZNNUKE-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000820384624 606267301 /nfs/dbraw/zinc/26/73/01/606267301.db2.gz JHJDGPHCZNNUKE-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000819857240 606269062 /nfs/dbraw/zinc/26/90/62/606269062.db2.gz PUFHGOQNFUZMGK-LBPRGKRZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000819857240 606269064 /nfs/dbraw/zinc/26/90/64/606269064.db2.gz PUFHGOQNFUZMGK-LBPRGKRZSA-N -1 3 386.460 0.400 20 0 GCADHM CS(=O)(=O)c1ccc(OCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821938197 606271319 /nfs/dbraw/zinc/27/13/19/606271319.db2.gz YBIVXOTWSHNSLU-UHFFFAOYSA-N -1 3 376.398 0.407 20 0 GCADHM CS(=O)(=O)c1ccc(OCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821938197 606271320 /nfs/dbraw/zinc/27/13/20/606271320.db2.gz YBIVXOTWSHNSLU-UHFFFAOYSA-N -1 3 376.398 0.407 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000821700674 606275700 /nfs/dbraw/zinc/27/57/00/606275700.db2.gz UOBKPWYKWVXLDO-GFCCVEGCSA-N -1 3 384.400 0.805 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000821700674 606275701 /nfs/dbraw/zinc/27/57/01/606275701.db2.gz UOBKPWYKWVXLDO-GFCCVEGCSA-N -1 3 384.400 0.805 20 0 GCADHM COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821845438 606276021 /nfs/dbraw/zinc/27/60/21/606276021.db2.gz GJPHMVAIHIPTNY-UHFFFAOYSA-N -1 3 377.386 0.114 20 0 GCADHM COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821845438 606276023 /nfs/dbraw/zinc/27/60/23/606276023.db2.gz GJPHMVAIHIPTNY-UHFFFAOYSA-N -1 3 377.386 0.114 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2=O)cc1 ZINC000821794681 606276106 /nfs/dbraw/zinc/27/61/06/606276106.db2.gz JNZYMZYOLDFYIQ-CQSZACIVSA-N -1 3 381.396 0.734 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2=O)cc1 ZINC000821794681 606276107 /nfs/dbraw/zinc/27/61/07/606276107.db2.gz JNZYMZYOLDFYIQ-CQSZACIVSA-N -1 3 381.396 0.734 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC000821588446 606276226 /nfs/dbraw/zinc/27/62/26/606276226.db2.gz SQKOOVWXWNSFMK-UHFFFAOYSA-N -1 3 387.425 0.648 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC000821588446 606276227 /nfs/dbraw/zinc/27/62/27/606276227.db2.gz SQKOOVWXWNSFMK-UHFFFAOYSA-N -1 3 387.425 0.648 20 0 GCADHM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820261015 606276737 /nfs/dbraw/zinc/27/67/37/606276737.db2.gz LETULRHFXPNPEB-CYBMUJFWSA-N -1 3 381.444 0.530 20 0 GCADHM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820261015 606276738 /nfs/dbraw/zinc/27/67/38/606276738.db2.gz LETULRHFXPNPEB-CYBMUJFWSA-N -1 3 381.444 0.530 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCCS(=O)(=O)Cc1ccccc1 ZINC000822641327 606278643 /nfs/dbraw/zinc/27/86/43/606278643.db2.gz JVAZGUKWBYUOTH-UHFFFAOYSA-N -1 3 388.453 0.940 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCCS(=O)(=O)Cc1ccccc1 ZINC000822641327 606278644 /nfs/dbraw/zinc/27/86/44/606278644.db2.gz JVAZGUKWBYUOTH-UHFFFAOYSA-N -1 3 388.453 0.940 20 0 GCADHM CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(-c3nnn[n-]3)cn2C)C1=O ZINC000820967506 606281418 /nfs/dbraw/zinc/28/14/18/606281418.db2.gz PKNDTEDFAWWILP-SFHVURJKSA-N -1 3 394.395 0.707 20 0 GCADHM CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(-c3nn[n-]n3)cn2C)C1=O ZINC000820967506 606281420 /nfs/dbraw/zinc/28/14/20/606281420.db2.gz PKNDTEDFAWWILP-SFHVURJKSA-N -1 3 394.395 0.707 20 0 GCADHM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821637867 606285735 /nfs/dbraw/zinc/28/57/35/606285735.db2.gz WWNXSPWHORQMQK-SNVBAGLBSA-N -1 3 389.441 0.604 20 0 GCADHM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821637867 606285736 /nfs/dbraw/zinc/28/57/36/606285736.db2.gz WWNXSPWHORQMQK-SNVBAGLBSA-N -1 3 389.441 0.604 20 0 GCADHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820562348 606285741 /nfs/dbraw/zinc/28/57/41/606285741.db2.gz FMYCYXXDICQXKT-JTQLQIEISA-N -1 3 389.441 0.686 20 0 GCADHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820562348 606285742 /nfs/dbraw/zinc/28/57/42/606285742.db2.gz FMYCYXXDICQXKT-JTQLQIEISA-N -1 3 389.441 0.686 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000821441258 606287008 /nfs/dbraw/zinc/28/70/08/606287008.db2.gz JGOPNWIXFNKUMH-UHFFFAOYSA-N -1 3 381.462 0.091 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000821441258 606287010 /nfs/dbraw/zinc/28/70/10/606287010.db2.gz JGOPNWIXFNKUMH-UHFFFAOYSA-N -1 3 381.462 0.091 20 0 GCADHM CCn1cc(CN2CCCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)cn1 ZINC000821565177 606287273 /nfs/dbraw/zinc/28/72/73/606287273.db2.gz HLUHGWGEMUYDQP-UHFFFAOYSA-N -1 3 383.460 0.770 20 0 GCADHM CCn1cc(CN2CCCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)cn1 ZINC000821565177 606287275 /nfs/dbraw/zinc/28/72/75/606287275.db2.gz HLUHGWGEMUYDQP-UHFFFAOYSA-N -1 3 383.460 0.770 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000822637037 606287631 /nfs/dbraw/zinc/28/76/31/606287631.db2.gz NHNNHDFLKBKPCF-LLVKDONJSA-N -1 3 387.831 0.933 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O ZINC000822637037 606287633 /nfs/dbraw/zinc/28/76/33/606287633.db2.gz NHNNHDFLKBKPCF-LLVKDONJSA-N -1 3 387.831 0.933 20 0 GCADHM C[C@]1(C2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)NC(=O)NC1=O ZINC000820613281 606288164 /nfs/dbraw/zinc/28/81/64/606288164.db2.gz YVZGWLVVJGDNEI-GOSISDBHSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@]1(C2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)NC(=O)NC1=O ZINC000820613281 606288166 /nfs/dbraw/zinc/28/81/66/606288166.db2.gz YVZGWLVVJGDNEI-GOSISDBHSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000820570462 606288643 /nfs/dbraw/zinc/28/86/43/606288643.db2.gz KEPGLABJCMQLSO-NSHDSACASA-N -1 3 397.443 0.985 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000820570462 606288645 /nfs/dbraw/zinc/28/86/45/606288645.db2.gz KEPGLABJCMQLSO-NSHDSACASA-N -1 3 397.443 0.985 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000822632134 606289322 /nfs/dbraw/zinc/28/93/22/606289322.db2.gz RMRKIRNRACFLHH-KRWDZBQOSA-N -1 3 395.467 0.879 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 ZINC000822632134 606289324 /nfs/dbraw/zinc/28/93/24/606289324.db2.gz RMRKIRNRACFLHH-KRWDZBQOSA-N -1 3 395.467 0.879 20 0 GCADHM CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820995206 606290178 /nfs/dbraw/zinc/29/01/78/606290178.db2.gz OARJKGPASBVLAH-OAHLLOKOSA-N -1 3 383.460 0.638 20 0 GCADHM CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820995206 606290180 /nfs/dbraw/zinc/29/01/80/606290180.db2.gz OARJKGPASBVLAH-OAHLLOKOSA-N -1 3 383.460 0.638 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000822637626 606291846 /nfs/dbraw/zinc/29/18/46/606291846.db2.gz REWOKHQMJUZVQD-SNVBAGLBSA-N -1 3 378.339 0.653 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000822637626 606291848 /nfs/dbraw/zinc/29/18/48/606291848.db2.gz REWOKHQMJUZVQD-SNVBAGLBSA-N -1 3 378.339 0.653 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@H](O)COCC(C)C ZINC000821699993 606292167 /nfs/dbraw/zinc/29/21/67/606292167.db2.gz ABXLGLXOPMKPJA-ZDUSSCGKSA-N -1 3 379.417 0.404 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@H](O)COCC(C)C ZINC000821699993 606292169 /nfs/dbraw/zinc/29/21/69/606292169.db2.gz ABXLGLXOPMKPJA-ZDUSSCGKSA-N -1 3 379.417 0.404 20 0 GCADHM O=C(NC[C@H](O)COCC1CC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823166702 606292520 /nfs/dbraw/zinc/29/25/20/606292520.db2.gz NJBHBVKDNQDAFP-IRXDYDNUSA-N -1 3 386.456 0.739 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000820529682 606294147 /nfs/dbraw/zinc/29/41/47/606294147.db2.gz QXTHOVHAJFTIKN-LRDDRELGSA-N -1 3 383.412 0.968 20 0 GCADHM O=C(COc1ccccc1)NCC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823049697 606296235 /nfs/dbraw/zinc/29/62/35/606296235.db2.gz IMFQCKRKAYJUSY-UHFFFAOYSA-N -1 3 397.391 0.984 20 0 GCADHM COC(=O)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821642619 606306609 /nfs/dbraw/zinc/30/66/09/606306609.db2.gz MIDIIGMOSKPWCD-RYUDHWBXSA-N -1 3 398.345 0.834 20 0 GCADHM COC(=O)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821642619 606306611 /nfs/dbraw/zinc/30/66/11/606306611.db2.gz MIDIIGMOSKPWCD-RYUDHWBXSA-N -1 3 398.345 0.834 20 0 GCADHM O=c1c2ccccc2nnn1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823664539 606308726 /nfs/dbraw/zinc/30/87/26/606308726.db2.gz AALSWQYRVPOYPI-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM O=c1c2ccccc2nnn1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823664539 606308728 /nfs/dbraw/zinc/30/87/28/606308728.db2.gz AALSWQYRVPOYPI-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM C[C@@]1(c2ccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)cc2)NC(=O)NC1=O ZINC000480878280 606313003 /nfs/dbraw/zinc/31/30/03/606313003.db2.gz RXHXOZDEZAESHU-IBGZPJMESA-N -1 3 391.391 0.851 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821588447 606314067 /nfs/dbraw/zinc/31/40/67/606314067.db2.gz SRVYSPRVWRNNEH-UHFFFAOYSA-N -1 3 387.425 0.648 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821588447 606314068 /nfs/dbraw/zinc/31/40/68/606314068.db2.gz SRVYSPRVWRNNEH-UHFFFAOYSA-N -1 3 387.425 0.648 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)CC(=O)Nc1cc(C)on1 ZINC000821650480 606315676 /nfs/dbraw/zinc/31/56/76/606315676.db2.gz SGXCDJPDJHCKIY-HNNXBMFYSA-N -1 3 385.384 0.948 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)CC(=O)Nc1cc(C)on1 ZINC000821650480 606315677 /nfs/dbraw/zinc/31/56/77/606315677.db2.gz SGXCDJPDJHCKIY-HNNXBMFYSA-N -1 3 385.384 0.948 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000821651601 606315869 /nfs/dbraw/zinc/31/58/69/606315869.db2.gz CEXNECUGOYJHIV-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000821651601 606315870 /nfs/dbraw/zinc/31/58/70/606315870.db2.gz CEXNECUGOYJHIV-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(c2cnccn2)CC1 ZINC000821652330 606316067 /nfs/dbraw/zinc/31/60/67/606316067.db2.gz QASSJXMAQNWPJQ-MRXNPFEDSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(c2cnccn2)CC1 ZINC000821652330 606316069 /nfs/dbraw/zinc/31/60/69/606316069.db2.gz QASSJXMAQNWPJQ-MRXNPFEDSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(c2cnccn2)CC1 ZINC000821652329 606316331 /nfs/dbraw/zinc/31/63/31/606316331.db2.gz QASSJXMAQNWPJQ-INIZCTEOSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(c2cnccn2)CC1 ZINC000821652329 606316333 /nfs/dbraw/zinc/31/63/33/606316333.db2.gz QASSJXMAQNWPJQ-INIZCTEOSA-N -1 3 380.412 0.693 20 0 GCADHM CCC(=O)N1CCCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820838614 606316747 /nfs/dbraw/zinc/31/67/47/606316747.db2.gz YAABDGAYKKDZNR-CYBMUJFWSA-N -1 3 389.485 0.978 20 0 GCADHM CCC(=O)N1CCCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000820838614 606316749 /nfs/dbraw/zinc/31/67/49/606316749.db2.gz YAABDGAYKKDZNR-CYBMUJFWSA-N -1 3 389.485 0.978 20 0 GCADHM CCS(=O)(=O)N1CCN([C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821442747 606316785 /nfs/dbraw/zinc/31/67/85/606316785.db2.gz VPXGFTPUQKNONE-AWEZNQCLSA-N -1 3 394.457 0.048 20 0 GCADHM CCS(=O)(=O)N1CCN([C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821442747 606316786 /nfs/dbraw/zinc/31/67/86/606316786.db2.gz VPXGFTPUQKNONE-AWEZNQCLSA-N -1 3 394.457 0.048 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](c2noc(C)n2)C1 ZINC000821651749 606317444 /nfs/dbraw/zinc/31/74/44/606317444.db2.gz FVTJALSMOIGCBM-UONOGXRCSA-N -1 3 385.384 0.846 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](c2noc(C)n2)C1 ZINC000821651749 606317447 /nfs/dbraw/zinc/31/74/47/606317447.db2.gz FVTJALSMOIGCBM-UONOGXRCSA-N -1 3 385.384 0.846 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820562625 606318009 /nfs/dbraw/zinc/31/80/09/606318009.db2.gz HYFNTKBZAZPASW-SECBINFHSA-N -1 3 375.414 0.675 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820562625 606318010 /nfs/dbraw/zinc/31/80/10/606318010.db2.gz HYFNTKBZAZPASW-SECBINFHSA-N -1 3 375.414 0.675 20 0 GCADHM O=C1[C@H](N2CCN(CC(F)F)CC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503320 606318465 /nfs/dbraw/zinc/31/84/65/606318465.db2.gz CVLSBVBDMHRCFO-LLVKDONJSA-N -1 3 383.428 0.916 20 0 GCADHM O=C1[C@H](N2CCN(CC(F)F)CC2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503320 606318466 /nfs/dbraw/zinc/31/84/66/606318466.db2.gz CVLSBVBDMHRCFO-LLVKDONJSA-N -1 3 383.428 0.916 20 0 GCADHM CCOCCN1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821378112 606320545 /nfs/dbraw/zinc/32/05/45/606320545.db2.gz ITSOOVXDBRYHDR-CQSZACIVSA-N -1 3 391.501 0.688 20 0 GCADHM CCOCCN1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821378112 606320546 /nfs/dbraw/zinc/32/05/46/606320546.db2.gz ITSOOVXDBRYHDR-CQSZACIVSA-N -1 3 391.501 0.688 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822869280 606320673 /nfs/dbraw/zinc/32/06/73/606320673.db2.gz TVCINUSGMYSGIK-UHFFFAOYSA-N -1 3 386.347 0.191 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822869280 606320674 /nfs/dbraw/zinc/32/06/74/606320674.db2.gz TVCINUSGMYSGIK-UHFFFAOYSA-N -1 3 386.347 0.191 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCc2nnc(OC)cc2C1 ZINC000821652084 606320964 /nfs/dbraw/zinc/32/09/64/606320964.db2.gz LZISJAALGDZABB-MRXNPFEDSA-N -1 3 381.396 0.938 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCc2nnc(OC)cc2C1 ZINC000821652084 606320966 /nfs/dbraw/zinc/32/09/66/606320966.db2.gz LZISJAALGDZABB-MRXNPFEDSA-N -1 3 381.396 0.938 20 0 GCADHM CCOC(=O)C1(O)CCN([C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821319534 606328419 /nfs/dbraw/zinc/32/84/19/606328419.db2.gz DMCWGPQJVJUTKA-CQSZACIVSA-N -1 3 389.412 0.471 20 0 GCADHM CCOC(=O)C1(O)CCN([C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821319534 606328421 /nfs/dbraw/zinc/32/84/21/606328421.db2.gz DMCWGPQJVJUTKA-CQSZACIVSA-N -1 3 389.412 0.471 20 0 GCADHM CN1CCC[C@H](NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC000821623842 606329838 /nfs/dbraw/zinc/32/98/38/606329838.db2.gz UFWBLCMHWITXGD-AWEZNQCLSA-N -1 3 399.459 0.151 20 0 GCADHM CN1CCC[C@H](NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC000821623842 606329841 /nfs/dbraw/zinc/32/98/41/606329841.db2.gz UFWBLCMHWITXGD-AWEZNQCLSA-N -1 3 399.459 0.151 20 0 GCADHM CC[C@@H](CO)N1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820907767 606330119 /nfs/dbraw/zinc/33/01/19/606330119.db2.gz HAAVHKFLMWHYGL-GXTWGEPZSA-N -1 3 391.501 0.422 20 0 GCADHM O=c1onc(-c2cccnc2)n1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823665601 606330197 /nfs/dbraw/zinc/33/01/97/606330197.db2.gz RUKMODZIZUAFEA-UHFFFAOYSA-N -1 3 399.392 0.552 20 0 GCADHM O=c1onc(-c2cccnc2)n1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823665601 606330198 /nfs/dbraw/zinc/33/01/98/606330198.db2.gz RUKMODZIZUAFEA-UHFFFAOYSA-N -1 3 399.392 0.552 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000821649816 606330445 /nfs/dbraw/zinc/33/04/45/606330445.db2.gz DQSYMLUBMMYSRC-BXUZGUMPSA-N -1 3 379.442 0.447 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000821649816 606330448 /nfs/dbraw/zinc/33/04/48/606330448.db2.gz DQSYMLUBMMYSRC-BXUZGUMPSA-N -1 3 379.442 0.447 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000821649818 606330893 /nfs/dbraw/zinc/33/08/93/606330893.db2.gz DQSYMLUBMMYSRC-RISCZKNCSA-N -1 3 379.442 0.447 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000821649818 606330895 /nfs/dbraw/zinc/33/08/95/606330895.db2.gz DQSYMLUBMMYSRC-RISCZKNCSA-N -1 3 379.442 0.447 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000821651646 606332328 /nfs/dbraw/zinc/33/23/28/606332328.db2.gz CVWLEAJZBSQOAS-MRXNPFEDSA-N -1 3 396.411 0.163 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000821651646 606332330 /nfs/dbraw/zinc/33/23/30/606332330.db2.gz CVWLEAJZBSQOAS-MRXNPFEDSA-N -1 3 396.411 0.163 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000821651645 606332485 /nfs/dbraw/zinc/33/24/85/606332485.db2.gz CVWLEAJZBSQOAS-INIZCTEOSA-N -1 3 396.411 0.163 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000821651645 606332486 /nfs/dbraw/zinc/33/24/86/606332486.db2.gz CVWLEAJZBSQOAS-INIZCTEOSA-N -1 3 396.411 0.163 20 0 GCADHM NC(=O)C[C@H]1CCCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000822865136 606332883 /nfs/dbraw/zinc/33/28/83/606332883.db2.gz WAAZHMPWPCQNHS-ZYHUDNBSSA-N -1 3 375.458 0.621 20 0 GCADHM NC(=O)C[C@@H]1CCCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000822865134 606333182 /nfs/dbraw/zinc/33/31/82/606333182.db2.gz WAAZHMPWPCQNHS-JQWIXIFHSA-N -1 3 375.458 0.621 20 0 GCADHM C[C@@H]1CN(CC(=O)Nc2sccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000820752786 606333759 /nfs/dbraw/zinc/33/37/59/606333759.db2.gz RSBPLUWNAQWRBH-DGCLKSJQSA-N -1 3 377.474 0.519 20 0 GCADHM C[C@@H]1CN(CC(=O)Nc2sccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000820752786 606333760 /nfs/dbraw/zinc/33/37/60/606333760.db2.gz RSBPLUWNAQWRBH-DGCLKSJQSA-N -1 3 377.474 0.519 20 0 GCADHM Cn1cc([C@@H]2CN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822673778 606334723 /nfs/dbraw/zinc/33/47/23/606334723.db2.gz AYDFCNLSVFPTKR-INIZCTEOSA-N -1 3 382.428 0.290 20 0 GCADHM Cn1cc([C@@H]2CN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822673778 606334724 /nfs/dbraw/zinc/33/47/24/606334724.db2.gz AYDFCNLSVFPTKR-INIZCTEOSA-N -1 3 382.428 0.290 20 0 GCADHM Cc1oc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000822547897 606334784 /nfs/dbraw/zinc/33/47/84/606334784.db2.gz CXPSRTAYPWFDCU-SMDDNHRTSA-N -1 3 389.460 0.668 20 0 GCADHM Cc1oc(NC(=O)CN2C[C@H](C)[C@H](N3CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000822547897 606334785 /nfs/dbraw/zinc/33/47/85/606334785.db2.gz CXPSRTAYPWFDCU-SMDDNHRTSA-N -1 3 389.460 0.668 20 0 GCADHM Cc1oc(NC(=O)CN2CCO[C@@H](c3cnn(C)c3)C2)c(-c2nnn[n-]2)c1C ZINC000822548055 606334900 /nfs/dbraw/zinc/33/49/00/606334900.db2.gz DTQIJVOBXAUXLP-CYBMUJFWSA-N -1 3 386.416 0.822 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823606073 606335167 /nfs/dbraw/zinc/33/51/67/606335167.db2.gz DTUPRAWLGCYSSK-CQSZACIVSA-N -1 3 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ZINC000821286044 606338980 /nfs/dbraw/zinc/33/89/80/606338980.db2.gz OBJZENKUZFZMFM-UHFFFAOYSA-N -1 3 378.336 0.300 20 0 GCADHM CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821286044 606338981 /nfs/dbraw/zinc/33/89/81/606338981.db2.gz OBJZENKUZFZMFM-UHFFFAOYSA-N -1 3 378.336 0.300 20 0 GCADHM CC[S@](=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821446690 606342651 /nfs/dbraw/zinc/34/26/51/606342651.db2.gz COBSXPGMQACBIM-DEOSSOPVSA-N -1 3 397.404 0.932 20 0 GCADHM CC[S@](=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821446690 606342653 /nfs/dbraw/zinc/34/26/53/606342653.db2.gz COBSXPGMQACBIM-DEOSSOPVSA-N -1 3 397.404 0.932 20 0 GCADHM CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821595515 606344913 /nfs/dbraw/zinc/34/49/13/606344913.db2.gz ZRZKBDGCXRSEMG-GFCCVEGCSA-N -1 3 379.396 0.163 20 0 GCADHM CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821595515 606344915 /nfs/dbraw/zinc/34/49/15/606344915.db2.gz 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O=C(OCc1ccc(-c2nnn[n-]2)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000823421996 606558044 /nfs/dbraw/zinc/55/80/44/606558044.db2.gz MOWRIRUTXFKQNF-SNVBAGLBSA-N -1 3 388.352 0.946 20 0 GCADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000823421996 606558046 /nfs/dbraw/zinc/55/80/46/606558046.db2.gz MOWRIRUTXFKQNF-SNVBAGLBSA-N -1 3 388.352 0.946 20 0 GCADHM CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000821175047 606559905 /nfs/dbraw/zinc/55/99/05/606559905.db2.gz ATSKMXVCNMRMMY-UHFFFAOYSA-N -1 3 391.501 0.945 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)N(C)CC(=O)NC1CC1 ZINC000820508707 606562568 /nfs/dbraw/zinc/56/25/68/606562568.db2.gz VVAHWMDTPUTTDF-QMMMGPOBSA-N -1 3 378.414 0.211 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)N(C)CC(=O)NC1CC1 ZINC000820508707 606562570 /nfs/dbraw/zinc/56/25/70/606562570.db2.gz VVAHWMDTPUTTDF-QMMMGPOBSA-N -1 3 378.414 0.211 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)N1CCC2(CC1)OCCO2 ZINC000823396465 606569430 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GCADHM CCCCC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000821051155 606584824 /nfs/dbraw/zinc/58/48/24/606584824.db2.gz YRCUAWYXGMTPJA-CQSZACIVSA-N -1 3 388.428 0.835 20 0 GCADHM CCCCC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000821051155 606584825 /nfs/dbraw/zinc/58/48/25/606584825.db2.gz YRCUAWYXGMTPJA-CQSZACIVSA-N -1 3 388.428 0.835 20 0 GCADHM CCn1nc2c(cc1=O)CN(C(=O)NCc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000821568169 606586323 /nfs/dbraw/zinc/58/63/23/606586323.db2.gz KIEPXEFKPXSAJH-UHFFFAOYSA-N -1 3 398.402 0.850 20 0 GCADHM CCn1nc2c(cc1=O)CN(C(=O)NCc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000821568169 606586324 /nfs/dbraw/zinc/58/63/24/606586324.db2.gz KIEPXEFKPXSAJH-UHFFFAOYSA-N -1 3 398.402 0.850 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821636011 606590069 /nfs/dbraw/zinc/59/00/69/606590069.db2.gz BNWNUVIYHDVFEJ-AAEUAGOBSA-N -1 3 394.457 0.174 20 0 GCADHM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822879795 606591472 /nfs/dbraw/zinc/59/14/72/606591472.db2.gz FRPHLEVMPXTKSJ-AWEZNQCLSA-N -1 3 393.407 0.803 20 0 GCADHM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822879795 606591474 /nfs/dbraw/zinc/59/14/74/606591474.db2.gz FRPHLEVMPXTKSJ-AWEZNQCLSA-N -1 3 393.407 0.803 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820211300 606592545 /nfs/dbraw/zinc/59/25/45/606592545.db2.gz HIACTCXQAZXEIX-UHFFFAOYSA-N -1 3 396.459 0.762 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820211300 606592547 /nfs/dbraw/zinc/59/25/47/606592547.db2.gz HIACTCXQAZXEIX-UHFFFAOYSA-N -1 3 396.459 0.762 20 0 GCADHM NC(=O)c1cc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c[nH]1 ZINC000822879804 606594784 /nfs/dbraw/zinc/59/47/84/606594784.db2.gz FWIXYGSYPZMHFG-UHFFFAOYSA-N -1 3 380.412 0.693 20 0 GCADHM NC(=O)c1cc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c[nH]1 ZINC000822879804 606594786 /nfs/dbraw/zinc/59/47/86/606594786.db2.gz FWIXYGSYPZMHFG-UHFFFAOYSA-N -1 3 380.412 0.693 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(N3CCOCC3)CCCCC2)n1 ZINC000822614854 606596259 /nfs/dbraw/zinc/59/62/59/606596259.db2.gz VCZOOGPIVVQYJJ-UHFFFAOYSA-N -1 3 389.464 0.757 20 0 GCADHM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(N3CCOCC3)CCCCC2)n1 ZINC000822614854 606596260 /nfs/dbraw/zinc/59/62/60/606596260.db2.gz VCZOOGPIVVQYJJ-UHFFFAOYSA-N -1 3 389.464 0.757 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636238 606601868 /nfs/dbraw/zinc/60/18/68/606601868.db2.gz KODLIXLOFHZUIJ-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636238 606601869 /nfs/dbraw/zinc/60/18/69/606601869.db2.gz KODLIXLOFHZUIJ-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821636631 606602155 /nfs/dbraw/zinc/60/21/55/606602155.db2.gz XEOYCGXSGDGKRF-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821636631 606602157 /nfs/dbraw/zinc/60/21/57/606602157.db2.gz XEOYCGXSGDGKRF-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000823541823 606602522 /nfs/dbraw/zinc/60/25/22/606602522.db2.gz SNBBIDMONBEHDD-CQSZACIVSA-N -1 3 399.411 0.178 20 0 GCADHM CC(C)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820016444 606604458 /nfs/dbraw/zinc/60/44/58/606604458.db2.gz MEXWRMQTUCQMLF-NSHDSACASA-N -1 3 383.416 0.606 20 0 GCADHM CC(C)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820016444 606604460 /nfs/dbraw/zinc/60/44/60/606604460.db2.gz MEXWRMQTUCQMLF-NSHDSACASA-N -1 3 383.416 0.606 20 0 GCADHM C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820667316 606604902 /nfs/dbraw/zinc/60/49/02/606604902.db2.gz LVDLDAMJFBPWQL-GXFFZTMASA-N -1 3 381.400 0.217 20 0 GCADHM C[C@H]1C[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820667316 606604904 /nfs/dbraw/zinc/60/49/04/606604904.db2.gz LVDLDAMJFBPWQL-GXFFZTMASA-N -1 3 381.400 0.217 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(C)C ZINC000820914219 606605118 /nfs/dbraw/zinc/60/51/18/606605118.db2.gz MQOOMMVHLZRSFF-CQSZACIVSA-N -1 3 397.443 0.996 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(C)C ZINC000820914219 606605120 /nfs/dbraw/zinc/60/51/20/606605120.db2.gz MQOOMMVHLZRSFF-CQSZACIVSA-N -1 3 397.443 0.996 20 0 GCADHM CC[C@H](C)CN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820869895 606605125 /nfs/dbraw/zinc/60/51/25/606605125.db2.gz JQVJPFZZSWMLBE-LBPRGKRZSA-N -1 3 397.443 0.950 20 0 GCADHM CC[C@H](C)CN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820869895 606605127 /nfs/dbraw/zinc/60/51/27/606605127.db2.gz JQVJPFZZSWMLBE-LBPRGKRZSA-N -1 3 397.443 0.950 20 0 GCADHM C[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000820704931 606605168 /nfs/dbraw/zinc/60/51/68/606605168.db2.gz QQZKWJHYDUEPGZ-GFCCVEGCSA-N -1 3 395.427 0.704 20 0 GCADHM C[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000820704931 606605170 /nfs/dbraw/zinc/60/51/70/606605170.db2.gz QQZKWJHYDUEPGZ-GFCCVEGCSA-N -1 3 395.427 0.704 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CC1 ZINC000820262479 606605221 /nfs/dbraw/zinc/60/52/21/606605221.db2.gz WUPAEONZRNUWTD-NSHDSACASA-N -1 3 395.427 0.607 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CC1 ZINC000820262479 606605223 /nfs/dbraw/zinc/60/52/23/606605223.db2.gz WUPAEONZRNUWTD-NSHDSACASA-N -1 3 395.427 0.607 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CC1 ZINC000821655748 606605673 /nfs/dbraw/zinc/60/56/73/606605673.db2.gz QTSJWLKXYKQBDI-UHFFFAOYSA-N -1 3 388.384 0.225 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000821655748 606605674 /nfs/dbraw/zinc/60/56/74/606605674.db2.gz QTSJWLKXYKQBDI-UHFFFAOYSA-N -1 3 388.384 0.225 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1-c1nnn[n-]1 ZINC000822313378 606606630 /nfs/dbraw/zinc/60/66/30/606606630.db2.gz MJIYANXJYHQHRE-HOCLYGCPSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1-c1nn[n-]n1 ZINC000822313378 606606631 /nfs/dbraw/zinc/60/66/31/606606631.db2.gz MJIYANXJYHQHRE-HOCLYGCPSA-N -1 3 378.392 0.888 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000821378180 606606694 /nfs/dbraw/zinc/60/66/94/606606694.db2.gz KNSCFLGDYNNAGU-UHFFFAOYSA-N -1 3 387.444 0.294 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000821378180 606606695 /nfs/dbraw/zinc/60/66/95/606606695.db2.gz KNSCFLGDYNNAGU-UHFFFAOYSA-N -1 3 387.444 0.294 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000821755274 606606828 /nfs/dbraw/zinc/60/68/28/606606828.db2.gz DBVYYKNCIZAJIL-LBPRGKRZSA-N -1 3 396.411 0.943 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CO)CC(C)C ZINC000821401712 606606868 /nfs/dbraw/zinc/60/68/68/606606868.db2.gz ZKVDNGSJZONNFO-GFCCVEGCSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CO)CC(C)C ZINC000821401712 606606870 /nfs/dbraw/zinc/60/68/70/606606870.db2.gz ZKVDNGSJZONNFO-GFCCVEGCSA-N -1 3 376.417 0.727 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](CO)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000822313340 606606963 /nfs/dbraw/zinc/60/69/63/606606963.db2.gz LWLHYWJKNQOFCF-AWEZNQCLSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](CO)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000822313340 606606965 /nfs/dbraw/zinc/60/69/65/606606965.db2.gz LWLHYWJKNQOFCF-AWEZNQCLSA-N -1 3 380.408 0.833 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000820314042 606607701 /nfs/dbraw/zinc/60/77/01/606607701.db2.gz HEIMIRADBXRNPZ-NWDGAFQWSA-N -1 3 385.428 0.711 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000820314042 606607703 /nfs/dbraw/zinc/60/77/03/606607703.db2.gz HEIMIRADBXRNPZ-NWDGAFQWSA-N -1 3 385.428 0.711 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000821756760 606608566 /nfs/dbraw/zinc/60/85/66/606608566.db2.gz RPHPELJPYDSFHB-CYBMUJFWSA-N -1 3 385.428 0.511 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1-c1nnn[n-]1 ZINC000822313380 606608649 /nfs/dbraw/zinc/60/86/49/606608649.db2.gz MJIYANXJYHQHRE-ZBFHGGJFSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1-c1nn[n-]n1 ZINC000822313380 606608651 /nfs/dbraw/zinc/60/86/51/606608651.db2.gz MJIYANXJYHQHRE-ZBFHGGJFSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000822436703 606610230 /nfs/dbraw/zinc/61/02/30/606610230.db2.gz PLWHKGVXDGKHRM-LBPRGKRZSA-N -1 3 396.411 0.978 20 0 GCADHM Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000822436703 606610233 /nfs/dbraw/zinc/61/02/33/606610233.db2.gz PLWHKGVXDGKHRM-LBPRGKRZSA-N -1 3 396.411 0.978 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000822216473 606610398 /nfs/dbraw/zinc/61/03/98/606610398.db2.gz PUPLXOFDWQQRPM-CHWSQXEVSA-N -1 3 387.444 0.027 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CCO)C1CC1 ZINC000820151025 606611224 /nfs/dbraw/zinc/61/12/24/606611224.db2.gz AJRHEDRACZVYGJ-CYBMUJFWSA-N -1 3 388.428 0.870 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CCO)C1CC1 ZINC000820151025 606611225 /nfs/dbraw/zinc/61/12/25/606611225.db2.gz AJRHEDRACZVYGJ-CYBMUJFWSA-N -1 3 388.428 0.870 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1=O ZINC000820668482 606612601 /nfs/dbraw/zinc/61/26/01/606612601.db2.gz TXFJVDONHWLREJ-ZDSQKVDBSA-N -1 3 387.375 0.070 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000820668482 606612603 /nfs/dbraw/zinc/61/26/03/606612603.db2.gz TXFJVDONHWLREJ-ZDSQKVDBSA-N -1 3 387.375 0.070 20 0 GCADHM COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000821640347 606612742 /nfs/dbraw/zinc/61/27/42/606612742.db2.gz GSOPBAOMNWNLRX-OAHLLOKOSA-N -1 3 394.391 0.878 20 0 GCADHM COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000821640347 606612744 /nfs/dbraw/zinc/61/27/44/606612744.db2.gz GSOPBAOMNWNLRX-OAHLLOKOSA-N -1 3 394.391 0.878 20 0 GCADHM COC(=O)[C@H](CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821641129 606612900 /nfs/dbraw/zinc/61/29/00/606612900.db2.gz WPAPTWRIFPJCSK-OAHLLOKOSA-N -1 3 394.391 0.878 20 0 GCADHM COC(=O)[C@H](CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000821641129 606612901 /nfs/dbraw/zinc/61/29/01/606612901.db2.gz WPAPTWRIFPJCSK-OAHLLOKOSA-N -1 3 394.391 0.878 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000822216726 606613520 /nfs/dbraw/zinc/61/35/20/606613520.db2.gz YANNSTPVBVJYEV-QKCSRTOESA-N -1 3 383.412 0.239 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000822216726 606613522 /nfs/dbraw/zinc/61/35/22/606613522.db2.gz YANNSTPVBVJYEV-QKCSRTOESA-N -1 3 383.412 0.239 20 0 GCADHM CC(C)(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1=O ZINC000819914533 606614165 /nfs/dbraw/zinc/61/41/65/606614165.db2.gz VTEOEXIDDSLQRL-SNVBAGLBSA-N -1 3 389.391 0.460 20 0 GCADHM CC(C)(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000819914533 606614167 /nfs/dbraw/zinc/61/41/67/606614167.db2.gz VTEOEXIDDSLQRL-SNVBAGLBSA-N -1 3 389.391 0.460 20 0 GCADHM CO[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1(C)C ZINC000821678640 606614631 /nfs/dbraw/zinc/61/46/31/606614631.db2.gz QJCZKFVYKNTEHZ-ZIAGYGMSSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1(C)C ZINC000821678640 606614633 /nfs/dbraw/zinc/61/46/33/606614633.db2.gz QJCZKFVYKNTEHZ-ZIAGYGMSSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1(C)C ZINC000821678639 606614951 /nfs/dbraw/zinc/61/49/51/606614951.db2.gz QJCZKFVYKNTEHZ-UONOGXRCSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1(C)C ZINC000821678639 606614952 /nfs/dbraw/zinc/61/49/52/606614952.db2.gz QJCZKFVYKNTEHZ-UONOGXRCSA-N -1 3 386.460 0.907 20 0 GCADHM O=C(COC(=O)CCOC1CCOCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823018402 606616562 /nfs/dbraw/zinc/61/65/62/606616562.db2.gz MJCWXHIWJGNCST-UHFFFAOYSA-N -1 3 375.385 0.934 20 0 GCADHM O=C(COC(=O)CCOC1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823018402 606616564 /nfs/dbraw/zinc/61/65/64/606616564.db2.gz MJCWXHIWJGNCST-UHFFFAOYSA-N -1 3 375.385 0.934 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)o1 ZINC000821936483 606620794 /nfs/dbraw/zinc/62/07/94/606620794.db2.gz AXNUDTGCFFYIFV-UHFFFAOYSA-N -1 3 394.388 0.578 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000821936483 606620795 /nfs/dbraw/zinc/62/07/95/606620795.db2.gz AXNUDTGCFFYIFV-UHFFFAOYSA-N -1 3 394.388 0.578 20 0 GCADHM Cc1cnc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000822394556 606621971 /nfs/dbraw/zinc/62/19/71/606621971.db2.gz CXSUATSLUBLUFU-AWEZNQCLSA-N -1 3 384.469 0.980 20 0 GCADHM Cc1cnc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000822394556 606621974 /nfs/dbraw/zinc/62/19/74/606621974.db2.gz CXSUATSLUBLUFU-AWEZNQCLSA-N -1 3 384.469 0.980 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821636099 606623432 /nfs/dbraw/zinc/62/34/32/606623432.db2.gz FQISXWXHTUCLJS-NEPJUHHUSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821636099 606623433 /nfs/dbraw/zinc/62/34/33/606623433.db2.gz FQISXWXHTUCLJS-NEPJUHHUSA-N -1 3 393.473 0.207 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823078115 606623816 /nfs/dbraw/zinc/62/38/16/606623816.db2.gz GIZFIGRXJPQRDV-CABCVRRESA-N -1 3 375.454 0.977 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823078115 606623817 /nfs/dbraw/zinc/62/38/17/606623817.db2.gz GIZFIGRXJPQRDV-CABCVRRESA-N -1 3 375.454 0.977 20 0 GCADHM C[C@@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820323887 606626066 /nfs/dbraw/zinc/62/60/66/606626066.db2.gz ZTVKEIZCFURPDN-HWPZZCPQSA-N -1 3 399.436 0.774 20 0 GCADHM C[C@@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820323887 606626068 /nfs/dbraw/zinc/62/60/68/606626068.db2.gz ZTVKEIZCFURPDN-HWPZZCPQSA-N -1 3 399.436 0.774 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1sccc1-c1nnn[n-]1 ZINC000823155700 606626427 /nfs/dbraw/zinc/62/64/27/606626427.db2.gz XGVFGLARJYXRKH-UHFFFAOYSA-N -1 3 382.471 0.615 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1sccc1-c1nn[n-]n1 ZINC000823155700 606626428 /nfs/dbraw/zinc/62/64/28/606626428.db2.gz XGVFGLARJYXRKH-UHFFFAOYSA-N -1 3 382.471 0.615 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000822216228 606630382 /nfs/dbraw/zinc/63/03/82/606630382.db2.gz JEHQUUNVHGBJPM-OAHLLOKOSA-N -1 3 385.409 0.844 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000822216228 606630384 /nfs/dbraw/zinc/63/03/84/606630384.db2.gz JEHQUUNVHGBJPM-OAHLLOKOSA-N -1 3 385.409 0.844 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000823332955 606632565 /nfs/dbraw/zinc/63/25/65/606632565.db2.gz VVQVBGUDJHYEBL-AWEZNQCLSA-N -1 3 389.372 0.674 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000823332955 606632566 /nfs/dbraw/zinc/63/25/66/606632566.db2.gz VVQVBGUDJHYEBL-AWEZNQCLSA-N -1 3 389.372 0.674 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](c2ccco2)C1 ZINC000823162668 606633554 /nfs/dbraw/zinc/63/35/54/606633554.db2.gz ZCCSYKFBLCPSJM-HNNXBMFYSA-N -1 3 382.380 0.790 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](c2ccco2)C1 ZINC000823162668 606633555 /nfs/dbraw/zinc/63/35/55/606633555.db2.gz ZCCSYKFBLCPSJM-HNNXBMFYSA-N -1 3 382.380 0.790 20 0 GCADHM COc1cccc(CCNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000821867331 606634496 /nfs/dbraw/zinc/63/44/96/606634496.db2.gz CEEIWXMAFTVIRO-UHFFFAOYSA-N -1 3 378.389 0.930 20 0 GCADHM COc1cccc(CCNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000821867331 606634497 /nfs/dbraw/zinc/63/44/97/606634497.db2.gz CEEIWXMAFTVIRO-UHFFFAOYSA-N -1 3 378.389 0.930 20 0 GCADHM CCN(C(=O)CNc1cc(-c2nnn[n-]2)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000821153853 606638488 /nfs/dbraw/zinc/63/84/88/606638488.db2.gz FQNLZHNJXHLEOF-ZDUSSCGKSA-N -1 3 378.458 0.623 20 0 GCADHM CCN(C(=O)CNc1cc(-c2nn[n-]n2)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000821153853 606638489 /nfs/dbraw/zinc/63/84/89/606638489.db2.gz FQNLZHNJXHLEOF-ZDUSSCGKSA-N -1 3 378.458 0.623 20 0 GCADHM CNC(=O)CCNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821632744 606638845 /nfs/dbraw/zinc/63/88/45/606638845.db2.gz HLNIYHWVBVWAPY-UHFFFAOYSA-N -1 3 389.235 0.044 20 0 GCADHM CNC(=O)CCNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821632744 606638846 /nfs/dbraw/zinc/63/88/46/606638846.db2.gz HLNIYHWVBVWAPY-UHFFFAOYSA-N -1 3 389.235 0.044 20 0 GCADHM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823606495 606639919 /nfs/dbraw/zinc/63/99/19/606639919.db2.gz IVFRVXJNHQIGRK-LBPRGKRZSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823606495 606639920 /nfs/dbraw/zinc/63/99/20/606639920.db2.gz IVFRVXJNHQIGRK-LBPRGKRZSA-N -1 3 396.448 0.349 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000822439924 606641110 /nfs/dbraw/zinc/64/11/10/606641110.db2.gz GDXYYRFDPPOZBI-AWEZNQCLSA-N -1 3 398.427 0.670 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000823252979 606659303 /nfs/dbraw/zinc/65/93/03/606659303.db2.gz CBALFZQWMTULJH-UHFFFAOYSA-N -1 3 376.327 0.583 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccn(CC(F)F)n1 ZINC000823252979 606659304 /nfs/dbraw/zinc/65/93/04/606659304.db2.gz CBALFZQWMTULJH-UHFFFAOYSA-N -1 3 376.327 0.583 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000823253796 606659533 /nfs/dbraw/zinc/65/95/33/606659533.db2.gz MBZNSRRLWLYAMU-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000823253796 606659534 /nfs/dbraw/zinc/65/95/34/606659534.db2.gz MBZNSRRLWLYAMU-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000823454054 606662750 /nfs/dbraw/zinc/66/27/50/606662750.db2.gz KGCVPCJVPKGAQQ-CYBMUJFWSA-N -1 3 392.366 0.608 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000823454054 606662751 /nfs/dbraw/zinc/66/27/51/606662751.db2.gz KGCVPCJVPKGAQQ-CYBMUJFWSA-N -1 3 392.366 0.608 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000822216465 606676063 /nfs/dbraw/zinc/67/60/63/606676063.db2.gz PPRFWPINIPOWHY-JTQLQIEISA-N -1 3 390.429 0.214 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000819892222 606687162 /nfs/dbraw/zinc/68/71/62/606687162.db2.gz ZNSDCZFHTQVTDG-UHFFFAOYSA-N -1 3 379.371 0.167 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000819892222 606687163 /nfs/dbraw/zinc/68/71/63/606687163.db2.gz ZNSDCZFHTQVTDG-UHFFFAOYSA-N -1 3 379.371 0.167 20 0 GCADHM COc1ccc(-n2cc(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)nn2)cc1 ZINC000821769913 606687647 /nfs/dbraw/zinc/68/76/47/606687647.db2.gz LZFRVFDFCTWCGY-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM COc1ccc(-n2cc(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)nn2)cc1 ZINC000821769913 606687648 /nfs/dbraw/zinc/68/76/48/606687648.db2.gz LZFRVFDFCTWCGY-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM COCC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821685719 606702433 /nfs/dbraw/zinc/70/24/33/606702433.db2.gz NOXLRLILCCWROR-CYBMUJFWSA-N -1 3 380.474 0.598 20 0 GCADHM COCC[C@@H](C)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821685719 606702434 /nfs/dbraw/zinc/70/24/34/606702434.db2.gz NOXLRLILCCWROR-CYBMUJFWSA-N -1 3 380.474 0.598 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1cccc(-c2nn[nH]n2)c1 ZINC000821671509 606707488 /nfs/dbraw/zinc/70/74/88/606707488.db2.gz ZBKFIUHRCFKRJX-UHFFFAOYSA-N -1 3 380.411 0.588 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000822632492 606718366 /nfs/dbraw/zinc/71/83/66/606718366.db2.gz WUMZPBIKKBODQC-LBPRGKRZSA-N -1 3 380.368 0.719 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 ZINC000822632492 606718368 /nfs/dbraw/zinc/71/83/68/606718368.db2.gz WUMZPBIKKBODQC-LBPRGKRZSA-N -1 3 380.368 0.719 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819854875 606719415 /nfs/dbraw/zinc/71/94/15/606719415.db2.gz CTVALJNASIMMHH-MRXNPFEDSA-N -1 3 399.499 0.874 20 0 GCADHM Cc1oc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1S(N)(=O)=O ZINC000822540956 606719786 /nfs/dbraw/zinc/71/97/86/606719786.db2.gz IEQKKJKACQHUSB-UHFFFAOYSA-N -1 3 376.398 0.688 20 0 GCADHM Cc1oc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1S(N)(=O)=O ZINC000822540956 606719787 /nfs/dbraw/zinc/71/97/87/606719787.db2.gz IEQKKJKACQHUSB-UHFFFAOYSA-N -1 3 376.398 0.688 20 0 GCADHM O=C(NCCCN1CCCC1=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823187160 606734734 /nfs/dbraw/zinc/73/47/34/606734734.db2.gz DKHIJXGGLKDZMY-UHFFFAOYSA-N -1 3 391.819 0.587 20 0 GCADHM O=C(NCCCN1CCCC1=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823187160 606734736 /nfs/dbraw/zinc/73/47/36/606734736.db2.gz DKHIJXGGLKDZMY-UHFFFAOYSA-N -1 3 391.819 0.587 20 0 GCADHM COCCN(CCOC)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821689567 606736755 /nfs/dbraw/zinc/73/67/55/606736755.db2.gz CRAAZJUAHCFBDV-UHFFFAOYSA-N -1 3 382.808 0.580 20 0 GCADHM COCCN(CCOC)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821689567 606736757 /nfs/dbraw/zinc/73/67/57/606736757.db2.gz CRAAZJUAHCFBDV-UHFFFAOYSA-N -1 3 382.808 0.580 20 0 GCADHM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nnn[n-]3)C[C@@H]21 ZINC000821628991 606737643 /nfs/dbraw/zinc/73/76/43/606737643.db2.gz WANMMJVFTPZIMO-RYUDHWBXSA-N -1 3 384.849 0.224 20 0 GCADHM COC(=O)[C@@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821665948 606737975 /nfs/dbraw/zinc/73/79/75/606737975.db2.gz MRCAXLUDLOACHW-ZCFIWIBFSA-N -1 3 390.219 0.469 20 0 GCADHM COC(=O)[C@@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821665948 606737976 /nfs/dbraw/zinc/73/79/76/606737976.db2.gz MRCAXLUDLOACHW-ZCFIWIBFSA-N -1 3 390.219 0.469 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820813520 606738122 /nfs/dbraw/zinc/73/81/22/606738122.db2.gz JCPPCHHUXPAJCA-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820813520 606738124 /nfs/dbraw/zinc/73/81/24/606738124.db2.gz JCPPCHHUXPAJCA-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)c(C)n1 ZINC000822242147 606738461 /nfs/dbraw/zinc/73/84/61/606738461.db2.gz BNVIEVALLMHLRD-UHFFFAOYSA-N -1 3 381.400 0.440 20 0 GCADHM Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)c(C)n1 ZINC000822242147 606738463 /nfs/dbraw/zinc/73/84/63/606738463.db2.gz BNVIEVALLMHLRD-UHFFFAOYSA-N -1 3 381.400 0.440 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820293261 606738910 /nfs/dbraw/zinc/73/89/10/606738910.db2.gz JUUMRDVQQLFEGL-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820293261 606738912 /nfs/dbraw/zinc/73/89/12/606738912.db2.gz JUUMRDVQQLFEGL-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820643393 606738993 /nfs/dbraw/zinc/73/89/93/606738993.db2.gz VQUNRRAFMAPZMK-WBOIOXJYSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820643393 606738995 /nfs/dbraw/zinc/73/89/95/606738995.db2.gz VQUNRRAFMAPZMK-WBOIOXJYSA-N -1 3 396.860 0.827 20 0 GCADHM CC(C)NC(=O)N1CCC[C@H]1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820132479 606739174 /nfs/dbraw/zinc/73/91/74/606739174.db2.gz LIHBYUKSFKLOMV-HNNXBMFYSA-N -1 3 387.444 0.944 20 0 GCADHM CCN1CCO[C@H](CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000821277141 606739814 /nfs/dbraw/zinc/73/98/14/606739814.db2.gz QIOSQBDNJQBKER-LLVKDONJSA-N -1 3 393.835 0.296 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823210986 606740203 /nfs/dbraw/zinc/74/02/03/606740203.db2.gz JLTHUEUYFNUCBS-SNVBAGLBSA-N -1 3 394.819 0.628 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823210986 606740204 /nfs/dbraw/zinc/74/02/04/606740204.db2.gz JLTHUEUYFNUCBS-SNVBAGLBSA-N -1 3 394.819 0.628 20 0 GCADHM Cc1nnc2n1CCN(C(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1Cl)C2 ZINC000822516143 606740289 /nfs/dbraw/zinc/74/02/89/606740289.db2.gz WQALIMHEGZZQAG-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM Cc1nnc2n1CCN(C(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1Cl)C2 ZINC000822516143 606740291 /nfs/dbraw/zinc/74/02/91/606740291.db2.gz WQALIMHEGZZQAG-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM COc1ccc(CNc2ccn(CC(=O)N3CCOCC3)n2)cc1-c1nnn[n-]1 ZINC000821824124 606741257 /nfs/dbraw/zinc/74/12/57/606741257.db2.gz HHIKXBAUNIRJMN-UHFFFAOYSA-N -1 3 398.427 0.543 20 0 GCADHM COc1ccc(CNc2ccn(CC(=O)N3CCOCC3)n2)cc1-c1nn[n-]n1 ZINC000821824124 606741258 /nfs/dbraw/zinc/74/12/58/606741258.db2.gz HHIKXBAUNIRJMN-UHFFFAOYSA-N -1 3 398.427 0.543 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820288426 606742798 /nfs/dbraw/zinc/74/27/98/606742798.db2.gz VEDPJIUILHYQGF-GXSJLCMTSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820288426 606742800 /nfs/dbraw/zinc/74/28/00/606742800.db2.gz VEDPJIUILHYQGF-GXSJLCMTSA-N -1 3 394.819 0.769 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000821655122 606743322 /nfs/dbraw/zinc/74/33/22/606743322.db2.gz FRKBWWDYDVBKHK-SNVBAGLBSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000821655122 606743323 /nfs/dbraw/zinc/74/33/23/606743323.db2.gz FRKBWWDYDVBKHK-SNVBAGLBSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000799788175 606743975 /nfs/dbraw/zinc/74/39/75/606743975.db2.gz HUQMEVFMWVYACI-GZMMTYOYSA-N -1 3 385.833 0.950 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000799788175 606743977 /nfs/dbraw/zinc/74/39/77/606743977.db2.gz HUQMEVFMWVYACI-GZMMTYOYSA-N -1 3 385.833 0.950 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)CCCO ZINC000820241540 606750356 /nfs/dbraw/zinc/75/03/56/606750356.db2.gz GOPPJVGNAFZPQX-NSHDSACASA-N -1 3 376.417 0.870 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)CCCO ZINC000820241540 606750358 /nfs/dbraw/zinc/75/03/58/606750358.db2.gz GOPPJVGNAFZPQX-NSHDSACASA-N -1 3 376.417 0.870 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000820032469 606751264 /nfs/dbraw/zinc/75/12/64/606751264.db2.gz NZEGXKYOFXLWJE-OIISXLGYSA-N -1 3 386.456 0.812 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000820032469 606751266 /nfs/dbraw/zinc/75/12/66/606751266.db2.gz NZEGXKYOFXLWJE-OIISXLGYSA-N -1 3 386.456 0.812 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821696714 606753882 /nfs/dbraw/zinc/75/38/82/606753882.db2.gz NFMKIILZAPIHBE-CYBMUJFWSA-N -1 3 384.400 0.635 20 0 GCADHM CC(C)(C)NC(=O)CNC(=O)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819923025 606756325 /nfs/dbraw/zinc/75/63/25/606756325.db2.gz UBUCXOZOVSJNQY-UHFFFAOYSA-N -1 3 396.354 0.333 20 0 GCADHM CC(C)(C)NC(=O)CNC(=O)COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819923025 606756326 /nfs/dbraw/zinc/75/63/26/606756326.db2.gz UBUCXOZOVSJNQY-UHFFFAOYSA-N -1 3 396.354 0.333 20 0 GCADHM Cn1cc([C@@]2(C)CN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822669799 606757433 /nfs/dbraw/zinc/75/74/33/606757433.db2.gz PZXUEKNVXIFETD-LJQANCHMSA-N -1 3 396.455 0.464 20 0 GCADHM Cn1cc([C@@]2(C)CN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822669799 606757434 /nfs/dbraw/zinc/75/74/34/606757434.db2.gz PZXUEKNVXIFETD-LJQANCHMSA-N -1 3 396.455 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ZINC000821142233 606863964 /nfs/dbraw/zinc/86/39/64/606863964.db2.gz FMUWZSVVNNRTER-LBPRGKRZSA-N -1 3 378.414 0.851 20 0 GCADHM CCCc1noc(CS(=O)(=O)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821142233 606863965 /nfs/dbraw/zinc/86/39/65/606863965.db2.gz FMUWZSVVNNRTER-LBPRGKRZSA-N -1 3 378.414 0.851 20 0 GCADHM CN(C[C@H](O)C1CC1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821594752 606867813 /nfs/dbraw/zinc/86/78/13/606867813.db2.gz AYCDLJUSKOQYDO-HNNXBMFYSA-N -1 3 386.460 0.643 20 0 GCADHM CN(C[C@H](O)C1CC1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821594752 606867815 /nfs/dbraw/zinc/86/78/15/606867815.db2.gz AYCDLJUSKOQYDO-HNNXBMFYSA-N -1 3 386.460 0.643 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCOc1ccccc1S(N)(=O)=O ZINC000821701982 606868767 /nfs/dbraw/zinc/86/87/67/606868767.db2.gz CFCMNKWVQBOVSZ-UHFFFAOYSA-N -1 3 391.409 0.981 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCOc1ccccc1S(N)(=O)=O ZINC000821701982 606868769 /nfs/dbraw/zinc/86/87/69/606868769.db2.gz CFCMNKWVQBOVSZ-UHFFFAOYSA-N -1 3 391.409 0.981 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000819797336 606873571 /nfs/dbraw/zinc/87/35/71/606873571.db2.gz ZZKGMZFGENDZIV-VIFPVBQESA-N -1 3 384.849 0.761 20 0 GCADHM O=C1OC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)CCN12 ZINC000823551687 606879200 /nfs/dbraw/zinc/87/92/00/606879200.db2.gz ZLSPTOCRDZXJCS-QMMMGPOBSA-N -1 3 384.805 0.345 20 0 GCADHM O=C1OC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(Cl)c3)CCN12 ZINC000823551687 606879202 /nfs/dbraw/zinc/87/92/02/606879202.db2.gz ZLSPTOCRDZXJCS-QMMMGPOBSA-N -1 3 384.805 0.345 20 0 GCADHM COCCN(CCOC)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821689609 606883117 /nfs/dbraw/zinc/88/31/17/606883117.db2.gz FPRSITTUEHCFLB-UHFFFAOYSA-N -1 3 377.373 0.428 20 0 GCADHM COCCN(CCOC)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821689609 606883118 /nfs/dbraw/zinc/88/31/18/606883118.db2.gz FPRSITTUEHCFLB-UHFFFAOYSA-N -1 3 377.373 0.428 20 0 GCADHM O=C(CN1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1)NC1CC1 ZINC000822997535 606884113 /nfs/dbraw/zinc/88/41/13/606884113.db2.gz RIEPPBXDCJSNKQ-UHFFFAOYSA-N -1 3 385.472 0.532 20 0 GCADHM O=C(CN1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1)N1CCCC1 ZINC000822996469 606884147 /nfs/dbraw/zinc/88/41/47/606884147.db2.gz FDBPOMGFUJYCEG-UHFFFAOYSA-N -1 3 399.499 0.876 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820684226 606886011 /nfs/dbraw/zinc/88/60/11/606886011.db2.gz NMGVGWHEIJDPPA-SFYZADRCSA-N -1 3 386.384 0.419 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820684226 606886014 /nfs/dbraw/zinc/88/60/14/606886014.db2.gz NMGVGWHEIJDPPA-SFYZADRCSA-N -1 3 386.384 0.419 20 0 GCADHM CCOC(=O)CN(CC)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821330840 606886682 /nfs/dbraw/zinc/88/66/82/606886682.db2.gz URVWYZVKKXXORC-UHFFFAOYSA-N -1 3 375.357 0.719 20 0 GCADHM CCOC(=O)CN(CC)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821330840 606886684 /nfs/dbraw/zinc/88/66/84/606886684.db2.gz URVWYZVKKXXORC-UHFFFAOYSA-N -1 3 375.357 0.719 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCN(CC2CC2)CC1 ZINC000823594846 606887258 /nfs/dbraw/zinc/88/72/58/606887258.db2.gz QRJIBPPTWKGWJI-UHFFFAOYSA-N -1 3 384.412 0.861 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCN(CC2CC2)CC1 ZINC000823594846 606887259 /nfs/dbraw/zinc/88/72/59/606887259.db2.gz QRJIBPPTWKGWJI-UHFFFAOYSA-N -1 3 384.412 0.861 20 0 GCADHM COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821656073 606888526 /nfs/dbraw/zinc/88/85/26/606888526.db2.gz XHDCZQSOFWBYMK-MRVPVSSYSA-N -1 3 387.368 0.719 20 0 GCADHM COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821656073 606888528 /nfs/dbraw/zinc/88/85/28/606888528.db2.gz XHDCZQSOFWBYMK-MRVPVSSYSA-N -1 3 387.368 0.719 20 0 GCADHM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821631526 606890382 /nfs/dbraw/zinc/89/03/82/606890382.db2.gz KZXSQYWUFHWPKX-MRVPVSSYSA-N -1 3 386.384 0.292 20 0 GCADHM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821631526 606890384 /nfs/dbraw/zinc/89/03/84/606890384.db2.gz KZXSQYWUFHWPKX-MRVPVSSYSA-N -1 3 386.384 0.292 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1Cn1cncn1 ZINC000823594227 606890696 /nfs/dbraw/zinc/89/06/96/606890696.db2.gz DVXGHVHJFHPJSH-SNVBAGLBSA-N -1 3 396.383 0.590 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1Cn1cncn1 ZINC000823594227 606890698 /nfs/dbraw/zinc/89/06/98/606890698.db2.gz DVXGHVHJFHPJSH-SNVBAGLBSA-N -1 3 396.383 0.590 20 0 GCADHM O=C(COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000823396530 606890859 /nfs/dbraw/zinc/89/08/59/606890859.db2.gz KXYKRLYSMDQTMN-UHFFFAOYSA-N -1 3 385.302 0.901 20 0 GCADHM O=C(COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000823396530 606890861 /nfs/dbraw/zinc/89/08/61/606890861.db2.gz KXYKRLYSMDQTMN-UHFFFAOYSA-N -1 3 385.302 0.901 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820642077 606891879 /nfs/dbraw/zinc/89/18/79/606891879.db2.gz GOWXYGGXXQSRRL-YXWSLZPKSA-N -1 3 391.425 0.675 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820642077 606891880 /nfs/dbraw/zinc/89/18/80/606891880.db2.gz GOWXYGGXXQSRRL-YXWSLZPKSA-N -1 3 391.425 0.675 20 0 GCADHM COC[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000821684860 606892300 /nfs/dbraw/zinc/89/23/00/606892300.db2.gz MQWIBGVAOPUIET-SECBINFHSA-N -1 3 375.357 0.181 20 0 GCADHM COC[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000821684860 606892302 /nfs/dbraw/zinc/89/23/02/606892302.db2.gz MQWIBGVAOPUIET-SECBINFHSA-N -1 3 375.357 0.181 20 0 GCADHM COCCOC1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821691887 606894444 /nfs/dbraw/zinc/89/44/44/606894444.db2.gz IPNIOEIXLRPPSA-UHFFFAOYSA-N -1 3 375.357 0.181 20 0 GCADHM COCCOC1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821691887 606894445 /nfs/dbraw/zinc/89/44/45/606894445.db2.gz IPNIOEIXLRPPSA-UHFFFAOYSA-N -1 3 375.357 0.181 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CC[C@H](N2CC=CC2)C1 ZINC000823594307 606894780 /nfs/dbraw/zinc/89/47/80/606894780.db2.gz GDRIUAVFXVOGCM-NSHDSACASA-N -1 3 382.396 0.780 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CC[C@H](N2CC=CC2)C1 ZINC000823594307 606894782 /nfs/dbraw/zinc/89/47/82/606894782.db2.gz GDRIUAVFXVOGCM-NSHDSACASA-N -1 3 382.396 0.780 20 0 GCADHM COCCCOC1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821687804 606896120 /nfs/dbraw/zinc/89/61/20/606896120.db2.gz POGNLWBQIOIWHM-UHFFFAOYSA-N -1 3 389.384 0.571 20 0 GCADHM COCCCOC1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821687804 606896122 /nfs/dbraw/zinc/89/61/22/606896122.db2.gz POGNLWBQIOIWHM-UHFFFAOYSA-N -1 3 389.384 0.571 20 0 GCADHM O=C(OCCCN1C(=O)CNC1=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823400580 606901736 /nfs/dbraw/zinc/90/17/36/606901736.db2.gz GZFIHKXDYGEKTJ-UHFFFAOYSA-N -1 3 398.301 0.984 20 0 GCADHM O=C(OCCCN1C(=O)CNC1=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823400580 606901737 /nfs/dbraw/zinc/90/17/37/606901737.db2.gz GZFIHKXDYGEKTJ-UHFFFAOYSA-N -1 3 398.301 0.984 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)CC2 ZINC000821696951 606904514 /nfs/dbraw/zinc/90/45/14/606904514.db2.gz VSMZYHLIIINYOM-LLVKDONJSA-N -1 3 384.400 0.115 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696951 606904516 /nfs/dbraw/zinc/90/45/16/606904516.db2.gz VSMZYHLIIINYOM-LLVKDONJSA-N -1 3 384.400 0.115 20 0 GCADHM O[C@@H](CN1CCO[C@@H](CNc2cccnn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681530 606906039 /nfs/dbraw/zinc/90/60/39/606906039.db2.gz GAFIYIWBTLLPLC-HOTGVXAUSA-N -1 3 382.428 0.503 20 0 GCADHM O[C@@H](CN1CCO[C@@H](CNc2cccnn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681530 606906041 /nfs/dbraw/zinc/90/60/41/606906041.db2.gz GAFIYIWBTLLPLC-HOTGVXAUSA-N -1 3 382.428 0.503 20 0 GCADHM O[C@@H](CN1CCO[C@H](CNc2cccnn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681529 606906411 /nfs/dbraw/zinc/90/64/11/606906411.db2.gz GAFIYIWBTLLPLC-CVEARBPZSA-N -1 3 382.428 0.503 20 0 GCADHM O[C@@H](CN1CCO[C@H](CNc2cccnn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681529 606906413 /nfs/dbraw/zinc/90/64/13/606906413.db2.gz GAFIYIWBTLLPLC-CVEARBPZSA-N -1 3 382.428 0.503 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819856707 606910032 /nfs/dbraw/zinc/91/00/32/606910032.db2.gz LCQWNKBNRNPSPQ-CRAIPNDOSA-N -1 3 399.499 0.529 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819856713 606910276 /nfs/dbraw/zinc/91/02/76/606910276.db2.gz LCQWNKBNRNPSPQ-YJBOKZPZSA-N -1 3 399.499 0.529 20 0 GCADHM CCc1nnc(N2CCC(CS(N)(=O)=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000821522899 606911010 /nfs/dbraw/zinc/91/10/10/606911010.db2.gz PHGHHMHNJDWCQL-UHFFFAOYSA-N -1 3 380.478 0.286 20 0 GCADHM CCc1nnc(N2CCC(CS(N)(=O)=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000821522899 606911012 /nfs/dbraw/zinc/91/10/12/606911012.db2.gz PHGHHMHNJDWCQL-UHFFFAOYSA-N -1 3 380.478 0.286 20 0 GCADHM O=S1(=O)CCN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCCC[C@H]21 ZINC000823614768 606911965 /nfs/dbraw/zinc/91/19/65/606911965.db2.gz SJVMMMCEHOMXPV-OWCLPIDISA-N -1 3 377.470 0.942 20 0 GCADHM O=S1(=O)CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]2CCCC[C@H]21 ZINC000823614768 606911967 /nfs/dbraw/zinc/91/19/67/606911967.db2.gz SJVMMMCEHOMXPV-OWCLPIDISA-N -1 3 377.470 0.942 20 0 GCADHM CCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821529711 606917896 /nfs/dbraw/zinc/91/78/96/606917896.db2.gz ZFVRTXNNRQWSGL-UHFFFAOYSA-N -1 3 385.476 0.182 20 0 GCADHM CCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821529711 606917897 /nfs/dbraw/zinc/91/78/97/606917897.db2.gz ZFVRTXNNRQWSGL-UHFFFAOYSA-N -1 3 385.476 0.182 20 0 GCADHM CCc1nnc(NC2CCN(S(C)(=O)=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000821528587 606918972 /nfs/dbraw/zinc/91/89/72/606918972.db2.gz PKEIWSXRRWJGMM-UHFFFAOYSA-N -1 3 380.478 0.617 20 0 GCADHM CCc1nnc(NC2CCN(S(C)(=O)=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000821528587 606918973 /nfs/dbraw/zinc/91/89/73/606918973.db2.gz PKEIWSXRRWJGMM-UHFFFAOYSA-N -1 3 380.478 0.617 20 0 GCADHM COCCN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821688877 606918984 /nfs/dbraw/zinc/91/89/84/606918984.db2.gz AFMOKKSDXNWPMT-GJZGRUSLSA-N -1 3 381.458 0.036 20 0 GCADHM COCCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821688877 606918986 /nfs/dbraw/zinc/91/89/86/606918986.db2.gz AFMOKKSDXNWPMT-GJZGRUSLSA-N -1 3 381.458 0.036 20 0 GCADHM O=C(c1ccccn1)N1CCN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823493221 606920163 /nfs/dbraw/zinc/92/01/63/606920163.db2.gz ISHSVSOLSRQLCQ-KRWDZBQOSA-N -1 3 379.424 0.753 20 0 GCADHM O=C(c1ccccn1)N1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823493221 606920165 /nfs/dbraw/zinc/92/01/65/606920165.db2.gz ISHSVSOLSRQLCQ-KRWDZBQOSA-N -1 3 379.424 0.753 20 0 GCADHM CCc1nc(CN2CCN(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000821509264 606928309 /nfs/dbraw/zinc/92/83/09/606928309.db2.gz FFDRJYSCWGVTMN-HNNXBMFYSA-N -1 3 384.444 0.663 20 0 GCADHM C[S@@](=O)CCN1CCN(CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821943630 606928330 /nfs/dbraw/zinc/92/83/30/606928330.db2.gz XPZOWWKFGBPWJF-AREMUKBSSA-N -1 3 378.502 0.632 20 0 GCADHM C[S@@](=O)CCN1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821943630 606928332 /nfs/dbraw/zinc/92/83/32/606928332.db2.gz XPZOWWKFGBPWJF-AREMUKBSSA-N -1 3 378.502 0.632 20 0 GCADHM Nc1nsc(N2CCN(CCCOc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000822912304 606929991 /nfs/dbraw/zinc/92/99/91/606929991.db2.gz VMBIACRDSLYWJX-UHFFFAOYSA-N -1 3 387.473 0.892 20 0 GCADHM CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H](C)C1 ZINC000819797290 606934087 /nfs/dbraw/zinc/93/40/87/606934087.db2.gz YPOQWGSZGDBLDU-VIFPVBQESA-N -1 3 391.819 0.538 20 0 GCADHM CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H](C)C1 ZINC000819797290 606934089 /nfs/dbraw/zinc/93/40/89/606934089.db2.gz YPOQWGSZGDBLDU-VIFPVBQESA-N -1 3 391.819 0.538 20 0 GCADHM Cc1sc(NC(=O)CN2CCN3C(=O)OC[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822558558 606935399 /nfs/dbraw/zinc/93/53/99/606935399.db2.gz RAIJCMBNMNOHNK-SNVBAGLBSA-N -1 3 377.430 0.620 20 0 GCADHM Cc1sc(NC(=O)CN2CCN3C(=O)OC[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822558558 606935401 /nfs/dbraw/zinc/93/54/01/606935401.db2.gz RAIJCMBNMNOHNK-SNVBAGLBSA-N -1 3 377.430 0.620 20 0 GCADHM CCc1nnc(N2CCN(CC[S@](C)=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000821529699 606938871 /nfs/dbraw/zinc/93/88/71/606938871.db2.gz ZDDNSGLYBRWYQW-SANMLTNESA-N -1 3 378.506 0.282 20 0 GCADHM CCc1nnc(N2CCN(CC[S@](C)=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000821529699 606938872 /nfs/dbraw/zinc/93/88/72/606938872.db2.gz ZDDNSGLYBRWYQW-SANMLTNESA-N -1 3 378.506 0.282 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823160467 606939074 /nfs/dbraw/zinc/93/90/74/606939074.db2.gz BQRMAHSOMKJMPV-OAHLLOKOSA-N -1 3 393.407 0.671 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823160467 606939075 /nfs/dbraw/zinc/93/90/75/606939075.db2.gz BQRMAHSOMKJMPV-OAHLLOKOSA-N -1 3 393.407 0.671 20 0 GCADHM CCc1nnc(N2CCC[C@@H]2CS(=O)(=O)NC)c(-c2nnn[n-]2)c1CC ZINC000821522638 606941706 /nfs/dbraw/zinc/94/17/06/606941706.db2.gz MVDRCTMYGAHISW-SNVBAGLBSA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCC[C@@H]2CS(=O)(=O)NC)c(-c2nn[n-]n2)c1CC ZINC000821522638 606941707 /nfs/dbraw/zinc/94/17/07/606941707.db2.gz MVDRCTMYGAHISW-SNVBAGLBSA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821522604 606941858 /nfs/dbraw/zinc/94/18/58/606941858.db2.gz MPFSKJXPHSLNTG-MGNBDDOMSA-N -1 3 399.459 0.596 20 0 GCADHM CCc1nnc(N2CCC[C@@H]([C@]3(C)NC(=O)NC3=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821522604 606941859 /nfs/dbraw/zinc/94/18/59/606941859.db2.gz MPFSKJXPHSLNTG-MGNBDDOMSA-N -1 3 399.459 0.596 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(-c2nnn[n-]2)c1CC ZINC000821536510 606942282 /nfs/dbraw/zinc/94/22/82/606942282.db2.gz VJDIFGXJWCZDOP-MGNBDDOMSA-N -1 3 399.459 0.914 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(-c2nn[n-]n2)c1CC ZINC000821536510 606942284 /nfs/dbraw/zinc/94/22/84/606942284.db2.gz VJDIFGXJWCZDOP-MGNBDDOMSA-N -1 3 399.459 0.914 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000822222505 606943276 /nfs/dbraw/zinc/94/32/76/606943276.db2.gz JNVBINVQFAMURJ-OLZOCXBDSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000822222505 606943277 /nfs/dbraw/zinc/94/32/77/606943277.db2.gz JNVBINVQFAMURJ-OLZOCXBDSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000822144796 606943303 /nfs/dbraw/zinc/94/33/03/606943303.db2.gz NVBPRMFJDUSMOU-STQMWFEESA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000822144796 606943305 /nfs/dbraw/zinc/94/33/05/606943305.db2.gz NVBPRMFJDUSMOU-STQMWFEESA-N -1 3 376.442 0.607 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@H]2CCCC[C@H]2N1 ZINC000823536196 606943741 /nfs/dbraw/zinc/94/37/41/606943741.db2.gz VHGKODWSKPMBPI-OLZOCXBDSA-N -1 3 380.405 0.438 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]2CCCC[C@@H]2N1 ZINC000823535866 606943768 /nfs/dbraw/zinc/94/37/68/606943768.db2.gz KGTBIEQFTBATPX-STQMWFEESA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]2CCCC[C@@H]2N1 ZINC000823535866 606943769 /nfs/dbraw/zinc/94/37/69/606943769.db2.gz KGTBIEQFTBATPX-STQMWFEESA-N -1 3 396.860 0.952 20 0 GCADHM CCc1nnc(NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c(-c2nnn[n-]2)c1CC ZINC000821535428 606944606 /nfs/dbraw/zinc/94/46/06/606944606.db2.gz IVEPYWMXEIYYAP-GXFFZTMASA-N -1 3 394.505 0.911 20 0 GCADHM CCc1nnc(NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c(-c2nn[n-]n2)c1CC ZINC000821535428 606944608 /nfs/dbraw/zinc/94/46/08/606944608.db2.gz IVEPYWMXEIYYAP-GXFFZTMASA-N -1 3 394.505 0.911 20 0 GCADHM O=C(CCN1CCCS1(=O)=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822964219 606947244 /nfs/dbraw/zinc/94/72/44/606947244.db2.gz GIRIHOVQYNTUMD-UHFFFAOYSA-N -1 3 395.441 0.604 20 0 GCADHM O=C(CCN1CCCS1(=O)=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822964219 606947246 /nfs/dbraw/zinc/94/72/46/606947246.db2.gz GIRIHOVQYNTUMD-UHFFFAOYSA-N -1 3 395.441 0.604 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819923027 606947951 /nfs/dbraw/zinc/94/79/51/606947951.db2.gz UGMYZVWJCLDBIQ-UHFFFAOYSA-N -1 3 397.457 0.897 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819923027 606947952 /nfs/dbraw/zinc/94/79/52/606947952.db2.gz UGMYZVWJCLDBIQ-UHFFFAOYSA-N -1 3 397.457 0.897 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820467295 606949719 /nfs/dbraw/zinc/94/97/19/606949719.db2.gz CWTVWUDXCPJXGT-XHDPSFHLSA-N -1 3 389.412 0.454 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820467295 606949721 /nfs/dbraw/zinc/94/97/21/606949721.db2.gz CWTVWUDXCPJXGT-XHDPSFHLSA-N -1 3 389.412 0.454 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000822916792 606954183 /nfs/dbraw/zinc/95/41/83/606954183.db2.gz DFLAKDMWEZJCEQ-LSDHHAIUSA-N -1 3 383.412 0.499 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000822614341 606956097 /nfs/dbraw/zinc/95/60/97/606956097.db2.gz MBHSLGQWBPNJMQ-OLZOCXBDSA-N -1 3 375.437 0.365 20 0 GCADHM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000822614341 606956098 /nfs/dbraw/zinc/95/60/98/606956098.db2.gz MBHSLGQWBPNJMQ-OLZOCXBDSA-N -1 3 375.437 0.365 20 0 GCADHM COC(=O)Cc1cccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821663863 606957814 /nfs/dbraw/zinc/95/78/14/606957814.db2.gz RKDAQEOOOMZAFM-UHFFFAOYSA-N -1 3 394.391 0.837 20 0 GCADHM COC(=O)Cc1cccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821663863 606957816 /nfs/dbraw/zinc/95/78/16/606957816.db2.gz RKDAQEOOOMZAFM-UHFFFAOYSA-N -1 3 394.391 0.837 20 0 GCADHM O=C(C(=O)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1)N1CCCC1 ZINC000822912338 606965100 /nfs/dbraw/zinc/96/51/00/606965100.db2.gz WUKFNSISSXAPQA-UHFFFAOYSA-N -1 3 387.419 0.272 20 0 GCADHM O=C(C(=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1)N1CCCC1 ZINC000822912338 606965101 /nfs/dbraw/zinc/96/51/01/606965101.db2.gz WUKFNSISSXAPQA-UHFFFAOYSA-N -1 3 387.419 0.272 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821920213 606965194 /nfs/dbraw/zinc/96/51/94/606965194.db2.gz NTBREYSHYANKHS-SNVBAGLBSA-N -1 3 389.409 0.705 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821920213 606965195 /nfs/dbraw/zinc/96/51/95/606965195.db2.gz NTBREYSHYANKHS-SNVBAGLBSA-N -1 3 389.409 0.705 20 0 GCADHM O=C(NCc1ccc(F)cn1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823253384 606968490 /nfs/dbraw/zinc/96/84/90/606968490.db2.gz GSYUILHEYQLXIM-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1ccc(F)cn1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823253384 606968491 /nfs/dbraw/zinc/96/84/91/606968491.db2.gz GSYUILHEYQLXIM-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccnc1 ZINC000820445183 606976366 /nfs/dbraw/zinc/97/63/66/606976366.db2.gz OHPZWHHYJJDUEX-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccnc1 ZINC000820445183 606976367 /nfs/dbraw/zinc/97/63/67/606976367.db2.gz OHPZWHHYJJDUEX-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM S=C(NCc1ccon1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823732188 606979868 /nfs/dbraw/zinc/97/98/68/606979868.db2.gz JDPNWSUULCBIHQ-UHFFFAOYSA-N -1 3 385.457 0.883 20 0 GCADHM S=C(NCc1ccon1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823732188 606979870 /nfs/dbraw/zinc/97/98/70/606979870.db2.gz JDPNWSUULCBIHQ-UHFFFAOYSA-N -1 3 385.457 0.883 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ccco1 ZINC000820444852 606981817 /nfs/dbraw/zinc/98/18/17/606981817.db2.gz MLWJIYYCQJPFEA-NSHDSACASA-N -1 3 390.425 0.785 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ccco1 ZINC000820444852 606981819 /nfs/dbraw/zinc/98/18/19/606981819.db2.gz MLWJIYYCQJPFEA-NSHDSACASA-N -1 3 390.425 0.785 20 0 GCADHM COCCc1noc(CN(C)[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821694666 606983820 /nfs/dbraw/zinc/98/38/20/606983820.db2.gz XILMQRZCKPUCIR-OAHLLOKOSA-N -1 3 387.400 0.785 20 0 GCADHM COCCc1noc(CN(C)[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821694666 606983821 /nfs/dbraw/zinc/98/38/21/606983821.db2.gz XILMQRZCKPUCIR-OAHLLOKOSA-N -1 3 387.400 0.785 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]2CCCC[C@H]2N1 ZINC000823535779 606984602 /nfs/dbraw/zinc/98/46/02/606984602.db2.gz HQIUARDUQKFICR-CABCVRRESA-N -1 3 390.469 0.383 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]2CCCC[C@H]2N1 ZINC000823535779 606984604 /nfs/dbraw/zinc/98/46/04/606984604.db2.gz HQIUARDUQKFICR-CABCVRRESA-N -1 3 390.469 0.383 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nccs1 ZINC000820451892 606985380 /nfs/dbraw/zinc/98/53/80/606985380.db2.gz YCMIQPXTMJULQP-MRVPVSSYSA-N -1 3 379.427 0.629 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nccs1 ZINC000820451892 606985383 /nfs/dbraw/zinc/98/53/83/606985383.db2.gz YCMIQPXTMJULQP-MRVPVSSYSA-N -1 3 379.427 0.629 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000823303845 606986157 /nfs/dbraw/zinc/98/61/57/606986157.db2.gz WYGHIURWQLYAFN-SNVBAGLBSA-N -1 3 386.803 0.855 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000823303845 606986158 /nfs/dbraw/zinc/98/61/58/606986158.db2.gz WYGHIURWQLYAFN-SNVBAGLBSA-N -1 3 386.803 0.855 20 0 GCADHM O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823160674 606989089 /nfs/dbraw/zinc/98/90/89/606989089.db2.gz DTTICKCCDDBYHI-CQSZACIVSA-N -1 3 394.443 0.374 20 0 GCADHM O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823160673 606989202 /nfs/dbraw/zinc/98/92/02/606989202.db2.gz DTTICKCCDDBYHI-AWEZNQCLSA-N -1 3 394.443 0.374 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[C@@H]1CCCO1 ZINC000820446269 606989853 /nfs/dbraw/zinc/98/98/53/606989853.db2.gz TYJDJJPGEVMANQ-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[C@@H]1CCCO1 ZINC000820446269 606989855 /nfs/dbraw/zinc/98/98/55/606989855.db2.gz TYJDJJPGEVMANQ-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM CC(C)n1ncc2c1ncn(C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000820215024 606990163 /nfs/dbraw/zinc/99/01/63/606990163.db2.gz QCBQKCAMKQMDMN-CYBMUJFWSA-N -1 3 396.411 0.794 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@@H]1CCCO1 ZINC000820449742 606990199 /nfs/dbraw/zinc/99/01/99/606990199.db2.gz BMUGATFMUVACAE-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@@H]1CCCO1 ZINC000820449742 606990201 /nfs/dbraw/zinc/99/02/01/606990201.db2.gz BMUGATFMUVACAE-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C1CCOCC1 ZINC000819857498 606991863 /nfs/dbraw/zinc/99/18/63/606991863.db2.gz SBBVUSHMPVRPEJ-GFCCVEGCSA-N -1 3 393.469 0.807 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000822242201 606992312 /nfs/dbraw/zinc/99/23/12/606992312.db2.gz DOOKKVHSKGVEPN-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822242201 606992314 /nfs/dbraw/zinc/99/23/14/606992314.db2.gz DOOKKVHSKGVEPN-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cn1cc(C=CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(=O)n(C)c1=O ZINC000822674488 606993800 /nfs/dbraw/zinc/99/38/00/606993800.db2.gz VKPJFVMXAWIVJK-GQCTYLIASA-N -1 3 386.343 0.160 20 0 GCADHM Cn1cc(C=CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(=O)n(C)c1=O ZINC000822674488 606993801 /nfs/dbraw/zinc/99/38/01/606993801.db2.gz VKPJFVMXAWIVJK-GQCTYLIASA-N -1 3 386.343 0.160 20 0 GCADHM CCN(CCOC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821215777 606994246 /nfs/dbraw/zinc/99/42/46/606994246.db2.gz USSHJJZUVSQWAK-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM CCN(CCOC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821215777 606994247 /nfs/dbraw/zinc/99/42/47/606994247.db2.gz USSHJJZUVSQWAK-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nncs1 ZINC000820450992 606998126 /nfs/dbraw/zinc/99/81/26/606998126.db2.gz QMOOANCFONJZQC-SSDOTTSWSA-N -1 3 380.415 0.024 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nncs1 ZINC000820450992 606998127 /nfs/dbraw/zinc/99/81/27/606998127.db2.gz QMOOANCFONJZQC-SSDOTTSWSA-N -1 3 380.415 0.024 20 0 GCADHM Cc1cccnc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822370289 606998780 /nfs/dbraw/zinc/99/87/80/606998780.db2.gz VQGLVMVJAHFPEH-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cccnc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822370289 606998781 /nfs/dbraw/zinc/99/87/81/606998781.db2.gz VQGLVMVJAHFPEH-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820467710 607001425 /nfs/dbraw/zinc/00/14/25/607001425.db2.gz MBTPOXDGTWZPEY-TVQRCGJNSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820467710 607001426 /nfs/dbraw/zinc/00/14/26/607001426.db2.gz MBTPOXDGTWZPEY-TVQRCGJNSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820452073 607001807 /nfs/dbraw/zinc/00/18/07/607001807.db2.gz YXSVVUROHJMZHP-MNOVXSKESA-N -1 3 378.458 0.696 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820452073 607001808 /nfs/dbraw/zinc/00/18/08/607001808.db2.gz YXSVVUROHJMZHP-MNOVXSKESA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccoc1 ZINC000820450296 607001896 /nfs/dbraw/zinc/00/18/96/607001896.db2.gz JGMOCXWROZVAQR-SNVBAGLBSA-N -1 3 376.398 0.443 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccoc1 ZINC000820450296 607001898 /nfs/dbraw/zinc/00/18/98/607001898.db2.gz JGMOCXWROZVAQR-SNVBAGLBSA-N -1 3 376.398 0.443 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000822491850 607003711 /nfs/dbraw/zinc/00/37/11/607003711.db2.gz HDDIUIVMHVGKDC-UHFFFAOYSA-N -1 3 391.413 0.839 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000822491850 607003713 /nfs/dbraw/zinc/00/37/13/607003713.db2.gz HDDIUIVMHVGKDC-UHFFFAOYSA-N -1 3 391.413 0.839 20 0 GCADHM COC(=O)C[C@H](C)C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821657659 607004049 /nfs/dbraw/zinc/00/40/49/607004049.db2.gz SPJABPROPGCYLW-WPRPVWTQSA-N -1 3 379.398 0.776 20 0 GCADHM COC(=O)C[C@H](C)C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821657659 607004050 /nfs/dbraw/zinc/00/40/50/607004050.db2.gz SPJABPROPGCYLW-WPRPVWTQSA-N -1 3 379.398 0.776 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1nnc2n1CCCC2 ZINC000820447499 607004822 /nfs/dbraw/zinc/00/48/22/607004822.db2.gz ZFRBLXGFJJGDIV-VIFPVBQESA-N -1 3 392.420 0.973 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1nnc2n1CCCC2 ZINC000820447499 607004824 /nfs/dbraw/zinc/00/48/24/607004824.db2.gz ZFRBLXGFJJGDIV-VIFPVBQESA-N -1 3 392.420 0.973 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821337538 607005040 /nfs/dbraw/zinc/00/50/40/607005040.db2.gz IVAMUNIMNAVZRV-CQSZACIVSA-N -1 3 379.442 0.972 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821337538 607005041 /nfs/dbraw/zinc/00/50/41/607005041.db2.gz IVAMUNIMNAVZRV-CQSZACIVSA-N -1 3 379.442 0.972 20 0 GCADHM COc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000821727725 607005494 /nfs/dbraw/zinc/00/54/94/607005494.db2.gz NLBAXBHCFCIPOA-UHFFFAOYSA-N -1 3 391.388 0.551 20 0 GCADHM COc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000821727725 607005496 /nfs/dbraw/zinc/00/54/96/607005496.db2.gz NLBAXBHCFCIPOA-UHFFFAOYSA-N -1 3 391.388 0.551 20 0 GCADHM CCCCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821071722 607010787 /nfs/dbraw/zinc/01/07/87/607010787.db2.gz KNEBTUFTRVQXIU-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM CCCCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821071722 607010788 /nfs/dbraw/zinc/01/07/88/607010788.db2.gz KNEBTUFTRVQXIU-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc[nH]c1=O ZINC000820447002 607017067 /nfs/dbraw/zinc/01/70/67/607017067.db2.gz XYJJROZHZAFOGV-SECBINFHSA-N -1 3 389.397 0.273 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc[nH]c1=O ZINC000820447002 607017069 /nfs/dbraw/zinc/01/70/69/607017069.db2.gz XYJJROZHZAFOGV-SECBINFHSA-N -1 3 389.397 0.273 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000821755184 607017187 /nfs/dbraw/zinc/01/71/87/607017187.db2.gz AJAOQWYLOMBAIZ-JTQLQIEISA-N -1 3 395.441 0.796 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000821755184 607017189 /nfs/dbraw/zinc/01/71/89/607017189.db2.gz AJAOQWYLOMBAIZ-JTQLQIEISA-N -1 3 395.441 0.796 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823521227 607017382 /nfs/dbraw/zinc/01/73/82/607017382.db2.gz SWGPPCFCPUBRJC-GFCCVEGCSA-N -1 3 398.423 0.997 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823521227 607017384 /nfs/dbraw/zinc/01/73/84/607017384.db2.gz SWGPPCFCPUBRJC-GFCCVEGCSA-N -1 3 398.423 0.997 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000822492346 607018633 /nfs/dbraw/zinc/01/86/33/607018633.db2.gz XZZKAMIBNMSERD-UHFFFAOYSA-N -1 3 375.418 0.537 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000822492346 607018634 /nfs/dbraw/zinc/01/86/34/607018634.db2.gz XZZKAMIBNMSERD-UHFFFAOYSA-N -1 3 375.418 0.537 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCO[C@H](C)C1 ZINC000820733057 607020232 /nfs/dbraw/zinc/02/02/32/607020232.db2.gz CKMILXHLOKEJSM-NEPJUHHUSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCO[C@H](C)C1 ZINC000820733057 607020233 /nfs/dbraw/zinc/02/02/33/607020233.db2.gz CKMILXHLOKEJSM-NEPJUHHUSA-N -1 3 394.457 0.171 20 0 GCADHM CCn1nccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821568132 607020278 /nfs/dbraw/zinc/02/02/78/607020278.db2.gz IMMYCIVFIJDZPR-SNVBAGLBSA-N -1 3 390.429 0.389 20 0 GCADHM CCn1nccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821568132 607020279 /nfs/dbraw/zinc/02/02/79/607020279.db2.gz IMMYCIVFIJDZPR-SNVBAGLBSA-N -1 3 390.429 0.389 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000821700316 607020705 /nfs/dbraw/zinc/02/07/05/607020705.db2.gz KKCFEIWBSWURDJ-CQSZACIVSA-N -1 3 388.428 0.187 20 0 GCADHM Cc1ncc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822472152 607021760 /nfs/dbraw/zinc/02/17/60/607021760.db2.gz PIOHRSPLHKUCIT-SECBINFHSA-N -1 3 388.413 0.271 20 0 GCADHM Cc1ncc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822472152 607021762 /nfs/dbraw/zinc/02/17/62/607021762.db2.gz PIOHRSPLHKUCIT-SECBINFHSA-N -1 3 388.413 0.271 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCS[C@H](C)C1 ZINC000820734394 607023186 /nfs/dbraw/zinc/02/31/86/607023186.db2.gz MPJCKNXZQIXRIO-GHMZBOCLSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS[C@H](C)C1 ZINC000820734394 607023189 /nfs/dbraw/zinc/02/31/89/607023189.db2.gz MPJCKNXZQIXRIO-GHMZBOCLSA-N -1 3 396.498 0.497 20 0 GCADHM CCOCCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821378490 607023321 /nfs/dbraw/zinc/02/33/21/607023321.db2.gz PFFPHQFYOHXKEF-LBPRGKRZSA-N -1 3 396.473 0.419 20 0 GCADHM CCOCCN(CC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821378490 607023322 /nfs/dbraw/zinc/02/33/22/607023322.db2.gz PFFPHQFYOHXKEF-LBPRGKRZSA-N -1 3 396.473 0.419 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1nccs1 ZINC000820438022 607024163 /nfs/dbraw/zinc/02/41/63/607024163.db2.gz GKPNWWFSBSTUOE-SECBINFHSA-N -1 3 393.454 0.653 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1nccs1 ZINC000820438022 607024164 /nfs/dbraw/zinc/02/41/64/607024164.db2.gz GKPNWWFSBSTUOE-SECBINFHSA-N -1 3 393.454 0.653 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCOCC1CC1 ZINC000820450982 607024381 /nfs/dbraw/zinc/02/43/81/607024381.db2.gz QJHGFXLTWLHQTC-LLVKDONJSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCOCC1CC1 ZINC000820450982 607024384 /nfs/dbraw/zinc/02/43/84/607024384.db2.gz QJHGFXLTWLHQTC-LLVKDONJSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOCC1CC1 ZINC000820447574 607024390 /nfs/dbraw/zinc/02/43/90/607024390.db2.gz ZWKOZOMYXBOFSB-NSHDSACASA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOCC1CC1 ZINC000820447574 607024392 /nfs/dbraw/zinc/02/43/92/607024392.db2.gz ZWKOZOMYXBOFSB-NSHDSACASA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCOCC1CC1 ZINC000820450983 607024486 /nfs/dbraw/zinc/02/44/86/607024486.db2.gz QJHGFXLTWLHQTC-NSHDSACASA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCOCC1CC1 ZINC000820450983 607024487 /nfs/dbraw/zinc/02/44/87/607024487.db2.gz QJHGFXLTWLHQTC-NSHDSACASA-N -1 3 394.457 0.076 20 0 GCADHM CCN(CC1CC1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821198425 607026593 /nfs/dbraw/zinc/02/65/93/607026593.db2.gz UVPONELVLLSNEU-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM CCN(CC1CC1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821198425 607026595 /nfs/dbraw/zinc/02/65/95/607026595.db2.gz UVPONELVLLSNEU-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCC1CC1 ZINC000820446378 607037716 /nfs/dbraw/zinc/03/77/16/607037716.db2.gz VQQOVNXVIVQGRJ-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCC1CC1 ZINC000820446378 607037717 /nfs/dbraw/zinc/03/77/17/607037717.db2.gz VQQOVNXVIVQGRJ-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM CSCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821962606 607038307 /nfs/dbraw/zinc/03/83/07/607038307.db2.gz SVXYDXDENMMWAW-LLVKDONJSA-N -1 3 398.514 0.793 20 0 GCADHM CSCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821962606 607038308 /nfs/dbraw/zinc/03/83/08/607038308.db2.gz SVXYDXDENMMWAW-LLVKDONJSA-N -1 3 398.514 0.793 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC=CCC1 ZINC000820438714 607039614 /nfs/dbraw/zinc/03/96/14/607039614.db2.gz VLLOPXZMDQQVHG-AAEUAGOBSA-N -1 3 376.442 0.758 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC=CCC1 ZINC000820438714 607039615 /nfs/dbraw/zinc/03/96/15/607039615.db2.gz VLLOPXZMDQQVHG-AAEUAGOBSA-N -1 3 376.442 0.758 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC=CCC1 ZINC000820438716 607039648 /nfs/dbraw/zinc/03/96/48/607039648.db2.gz VLLOPXZMDQQVHG-WCQYABFASA-N -1 3 376.442 0.758 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC=CCC1 ZINC000820438716 607039650 /nfs/dbraw/zinc/03/96/50/607039650.db2.gz VLLOPXZMDQQVHG-WCQYABFASA-N -1 3 376.442 0.758 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCSC[C@@H]1C ZINC000820438448 607041590 /nfs/dbraw/zinc/04/15/90/607041590.db2.gz PVTFDUTYLSATMA-QWRGUYRKSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCSC[C@@H]1C ZINC000820438448 607041592 /nfs/dbraw/zinc/04/15/92/607041592.db2.gz PVTFDUTYLSATMA-QWRGUYRKSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](O)C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820474316 607042891 /nfs/dbraw/zinc/04/28/91/607042891.db2.gz RFMNXTGPAIGTQD-SRVKXCTJSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@H](O)C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820474316 607042892 /nfs/dbraw/zinc/04/28/92/607042892.db2.gz RFMNXTGPAIGTQD-SRVKXCTJSA-N -1 3 396.473 0.057 20 0 GCADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000821119402 607043332 /nfs/dbraw/zinc/04/33/32/607043332.db2.gz YRNCJVZVHJHQQO-UHFFFAOYSA-N -1 3 386.416 0.958 20 0 GCADHM COC[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821684647 607043557 /nfs/dbraw/zinc/04/35/57/607043557.db2.gz GLOOIONSRNCMIE-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM COC[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821684647 607043559 /nfs/dbraw/zinc/04/35/59/607043559.db2.gz GLOOIONSRNCMIE-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCOC1 ZINC000820438227 607044108 /nfs/dbraw/zinc/04/41/08/607044108.db2.gz LAYNEBHIOKDABP-NTZNESFSSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCOC1 ZINC000820438227 607044110 /nfs/dbraw/zinc/04/41/10/607044110.db2.gz LAYNEBHIOKDABP-NTZNESFSSA-N -1 3 394.457 0.075 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000822222492 607049136 /nfs/dbraw/zinc/04/91/36/607049136.db2.gz JEYUPBJEAQCZTK-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000822222492 607049137 /nfs/dbraw/zinc/04/91/37/607049137.db2.gz JEYUPBJEAQCZTK-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCn1cccc1 ZINC000820449684 607049399 /nfs/dbraw/zinc/04/93/99/607049399.db2.gz AORRIDMJCSDRGN-LBPRGKRZSA-N -1 3 389.441 0.151 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCn1cccc1 ZINC000820449684 607049401 /nfs/dbraw/zinc/04/94/01/607049401.db2.gz AORRIDMJCSDRGN-LBPRGKRZSA-N -1 3 389.441 0.151 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCSC1 ZINC000820450461 607049415 /nfs/dbraw/zinc/04/94/15/607049415.db2.gz KTUCYGJHDSQMJC-GXSJLCMTSA-N -1 3 382.471 0.155 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCSC1 ZINC000820450461 607049417 /nfs/dbraw/zinc/04/94/17/607049417.db2.gz KTUCYGJHDSQMJC-GXSJLCMTSA-N -1 3 382.471 0.155 20 0 GCADHM CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821034617 607051665 /nfs/dbraw/zinc/05/16/65/607051665.db2.gz PVGFUXFLDRPOGU-GYSYKLTISA-N -1 3 378.458 0.838 20 0 GCADHM CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821034617 607051666 /nfs/dbraw/zinc/05/16/66/607051666.db2.gz PVGFUXFLDRPOGU-GYSYKLTISA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCSC1 ZINC000820437819 607053800 /nfs/dbraw/zinc/05/38/00/607053800.db2.gz DFSVXNXQTMZOPT-JQWIXIFHSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCSC1 ZINC000820437819 607053803 /nfs/dbraw/zinc/05/38/03/607053803.db2.gz DFSVXNXQTMZOPT-JQWIXIFHSA-N -1 3 396.498 0.545 20 0 GCADHM COC[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821683803 607054900 /nfs/dbraw/zinc/05/49/00/607054900.db2.gz KMOIECSXAJZLRR-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM COC[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821683803 607054902 /nfs/dbraw/zinc/05/49/02/607054902.db2.gz KMOIECSXAJZLRR-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(Cc3cc(F)ccc3-c3nnn[n-]3)CC2)C1 ZINC000823613401 607057371 /nfs/dbraw/zinc/05/73/71/607057371.db2.gz IIUXLEPSSHOKKS-CQSZACIVSA-N -1 3 380.449 0.311 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)C1 ZINC000823613401 607057372 /nfs/dbraw/zinc/05/73/72/607057372.db2.gz IIUXLEPSSHOKKS-CQSZACIVSA-N -1 3 380.449 0.311 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCCS1 ZINC000820444035 607060731 /nfs/dbraw/zinc/06/07/31/607060731.db2.gz DTBJBUYGBPJTDI-PWSUYJOCSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCS1 ZINC000820444035 607060733 /nfs/dbraw/zinc/06/07/33/607060733.db2.gz DTBJBUYGBPJTDI-PWSUYJOCSA-N -1 3 396.498 0.545 20 0 GCADHM CC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820980221 607061178 /nfs/dbraw/zinc/06/11/78/607061178.db2.gz LDRPJDMDMMEMDA-NWDGAFQWSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820980221 607061180 /nfs/dbraw/zinc/06/11/80/607061180.db2.gz LDRPJDMDMMEMDA-NWDGAFQWSA-N -1 3 378.458 0.792 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)cc(Br)c1OCC(=O)N1CC(O)C1 ZINC000821390209 607062155 /nfs/dbraw/zinc/06/21/55/607062155.db2.gz TVPPKRKGMRIHQU-UHFFFAOYSA-N -1 3 398.217 0.610 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)cc(Br)c1OCC(=O)N1CC(O)C1 ZINC000821390209 607062157 /nfs/dbraw/zinc/06/21/57/607062157.db2.gz TVPPKRKGMRIHQU-UHFFFAOYSA-N -1 3 398.217 0.610 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820993752 607063130 /nfs/dbraw/zinc/06/31/30/607063130.db2.gz BFMYFWQCGCJTOX-CMPLNLGQSA-N -1 3 379.446 0.052 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820993752 607063131 /nfs/dbraw/zinc/06/31/31/607063131.db2.gz BFMYFWQCGCJTOX-CMPLNLGQSA-N -1 3 379.446 0.052 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C2CC2)CC1 ZINC000820438223 607063172 /nfs/dbraw/zinc/06/31/72/607063172.db2.gz LAQOMSBOLNIYHF-SNVBAGLBSA-N -1 3 376.442 0.592 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C2CC2)CC1 ZINC000820438223 607063173 /nfs/dbraw/zinc/06/31/73/607063173.db2.gz LAQOMSBOLNIYHF-SNVBAGLBSA-N -1 3 376.442 0.592 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820993703 607063594 /nfs/dbraw/zinc/06/35/94/607063594.db2.gz APKCNOYJVYPSTP-HIFRSBDPSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820993703 607063596 /nfs/dbraw/zinc/06/35/96/607063596.db2.gz APKCNOYJVYPSTP-HIFRSBDPSA-N -1 3 392.485 0.586 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C2CC2)CC1 ZINC000820446845 607063604 /nfs/dbraw/zinc/06/36/04/607063604.db2.gz XKPSWBVMMMRNSJ-SNVBAGLBSA-N -1 3 376.442 0.592 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C2CC2)CC1 ZINC000820446845 607063606 /nfs/dbraw/zinc/06/36/06/607063606.db2.gz XKPSWBVMMMRNSJ-SNVBAGLBSA-N -1 3 376.442 0.592 20 0 GCADHM Cc1ncsc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822481928 607064049 /nfs/dbraw/zinc/06/40/49/607064049.db2.gz HIESRCAZDJMVLQ-QMMMGPOBSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1ncsc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822481928 607064051 /nfs/dbraw/zinc/06/40/51/607064051.db2.gz HIESRCAZDJMVLQ-QMMMGPOBSA-N -1 3 393.454 0.937 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000820438300 607066088 /nfs/dbraw/zinc/06/60/88/607066088.db2.gz MKMHIWHIOJSKKV-QJPTWQEYSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000820438300 607066090 /nfs/dbraw/zinc/06/60/90/607066090.db2.gz MKMHIWHIOJSKKV-QJPTWQEYSA-N -1 3 394.457 0.169 20 0 GCADHM Nc1nsc(N2CCN(CCCOc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822911925 607077710 /nfs/dbraw/zinc/07/77/10/607077710.db2.gz DTMGIIJMCLXREO-UHFFFAOYSA-N -1 3 387.473 0.892 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c2=O ZINC000822709170 607078096 /nfs/dbraw/zinc/07/80/96/607078096.db2.gz HTZNXNMLGBQWAH-UHFFFAOYSA-N -1 3 384.331 0.193 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c2=O ZINC000822709170 607078098 /nfs/dbraw/zinc/07/80/98/607078098.db2.gz HTZNXNMLGBQWAH-UHFFFAOYSA-N -1 3 384.331 0.193 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000821932718 607079290 /nfs/dbraw/zinc/07/92/90/607079290.db2.gz QDIMETSXSIUTJD-CYBMUJFWSA-N -1 3 383.405 0.863 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821932718 607079291 /nfs/dbraw/zinc/07/92/91/607079291.db2.gz QDIMETSXSIUTJD-CYBMUJFWSA-N -1 3 383.405 0.863 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCCO1 ZINC000820445876 607079526 /nfs/dbraw/zinc/07/95/26/607079526.db2.gz RHTGIPLZWKGANT-ZYHUDNBSSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCCO1 ZINC000820445876 607079528 /nfs/dbraw/zinc/07/95/28/607079528.db2.gz RHTGIPLZWKGANT-ZYHUDNBSSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCCOC1 ZINC000820443910 607080413 /nfs/dbraw/zinc/08/04/13/607080413.db2.gz AUIYSWTYEPTDNH-NWDGAFQWSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCCOC1 ZINC000820443910 607080415 /nfs/dbraw/zinc/08/04/15/607080415.db2.gz AUIYSWTYEPTDNH-NWDGAFQWSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCSC1 ZINC000820446940 607082642 /nfs/dbraw/zinc/08/26/42/607082642.db2.gz XSXWTMOFDCVGEW-KOLCDFICSA-N -1 3 383.455 0.582 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCSC1 ZINC000820446940 607082644 /nfs/dbraw/zinc/08/26/44/607082644.db2.gz XSXWTMOFDCVGEW-KOLCDFICSA-N -1 3 383.455 0.582 20 0 GCADHM CCOC(=O)CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821330826 607082890 /nfs/dbraw/zinc/08/28/90/607082890.db2.gz UAQPYXUFRGNMPQ-JTQLQIEISA-N -1 3 397.413 0.030 20 0 GCADHM CCOC(=O)CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821330826 607082892 /nfs/dbraw/zinc/08/28/92/607082892.db2.gz UAQPYXUFRGNMPQ-JTQLQIEISA-N -1 3 397.413 0.030 20 0 GCADHM CCCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821127578 607089562 /nfs/dbraw/zinc/08/95/62/607089562.db2.gz JUSIKSLHSBOAMY-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM CCCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821127578 607089563 /nfs/dbraw/zinc/08/95/63/607089563.db2.gz JUSIKSLHSBOAMY-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM CC(=O)CCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819782575 607090152 /nfs/dbraw/zinc/09/01/52/607090152.db2.gz ODACWCHDURGZBT-NSHDSACASA-N -1 3 381.414 0.446 20 0 GCADHM CC(=O)CCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819782575 607090153 /nfs/dbraw/zinc/09/01/53/607090153.db2.gz ODACWCHDURGZBT-NSHDSACASA-N -1 3 381.414 0.446 20 0 GCADHM CCOCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821378884 607091536 /nfs/dbraw/zinc/09/15/36/607091536.db2.gz VXKNBQXEPCCFDR-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM CCOCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821378884 607091538 /nfs/dbraw/zinc/09/15/38/607091538.db2.gz VXKNBQXEPCCFDR-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM CCC1(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)COC1 ZINC000820967397 607091853 /nfs/dbraw/zinc/09/18/53/607091853.db2.gz OBVBMIJCDSTXNJ-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM CCC1(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)COC1 ZINC000820967397 607091854 /nfs/dbraw/zinc/09/18/54/607091854.db2.gz OBVBMIJCDSTXNJ-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCOC1CCC1 ZINC000820450387 607091916 /nfs/dbraw/zinc/09/19/16/607091916.db2.gz JWXLYKTYKQLRLT-LLVKDONJSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCOC1CCC1 ZINC000820450387 607091917 /nfs/dbraw/zinc/09/19/17/607091917.db2.gz JWXLYKTYKQLRLT-LLVKDONJSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000820451567 607092067 /nfs/dbraw/zinc/09/20/67/607092067.db2.gz VYVMXCUVOSIRQM-GVXVVHGQSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000820451567 607092068 /nfs/dbraw/zinc/09/20/68/607092068.db2.gz VYVMXCUVOSIRQM-GVXVVHGQSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@]1(C)CCCO1 ZINC000820449818 607092102 /nfs/dbraw/zinc/09/21/02/607092102.db2.gz CUVCPVZSTDWJCM-BDJLRTHQSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@]1(C)CCCO1 ZINC000820449818 607092104 /nfs/dbraw/zinc/09/21/04/607092104.db2.gz CUVCPVZSTDWJCM-BDJLRTHQSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC[C@H]1CCCO1 ZINC000820451863 607092213 /nfs/dbraw/zinc/09/22/13/607092213.db2.gz XRELDTAPJSPBLP-WCQYABFASA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC[C@H]1CCCO1 ZINC000820451863 607092215 /nfs/dbraw/zinc/09/22/15/607092215.db2.gz XRELDTAPJSPBLP-WCQYABFASA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1n1ccnc1 ZINC000820716639 607092911 /nfs/dbraw/zinc/09/29/11/607092911.db2.gz KBHFRSUYGHFMRF-XJKSGUPXSA-N -1 3 394.439 0.903 20 0 GCADHM C[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1n1ccnc1 ZINC000820716639 607092912 /nfs/dbraw/zinc/09/29/12/607092912.db2.gz KBHFRSUYGHFMRF-XJKSGUPXSA-N -1 3 394.439 0.903 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823346933 607093015 /nfs/dbraw/zinc/09/30/15/607093015.db2.gz TZAYWTJATTZQRJ-UHFFFAOYSA-N -1 3 396.386 0.688 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823346933 607093017 /nfs/dbraw/zinc/09/30/17/607093017.db2.gz TZAYWTJATTZQRJ-UHFFFAOYSA-N -1 3 396.386 0.688 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000821400423 607093601 /nfs/dbraw/zinc/09/36/01/607093601.db2.gz JFVPQGIZDUZWFM-GFCCVEGCSA-N -1 3 396.411 0.601 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C2 ZINC000821727331 607093745 /nfs/dbraw/zinc/09/37/45/607093745.db2.gz HUTIXXYYEHSZGK-UHFFFAOYSA-N -1 3 398.358 0.328 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000821727331 607093746 /nfs/dbraw/zinc/09/37/46/607093746.db2.gz HUTIXXYYEHSZGK-UHFFFAOYSA-N -1 3 398.358 0.328 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821139074 607093915 /nfs/dbraw/zinc/09/39/15/607093915.db2.gz NBISBNMJUSCSFK-CYBMUJFWSA-N -1 3 390.423 0.491 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCS(=O)(=O)CC1CC1 ZINC000821700407 607095020 /nfs/dbraw/zinc/09/50/20/607095020.db2.gz NSNZEPDWEFCQFX-UHFFFAOYSA-N -1 3 395.441 0.195 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCS(=O)(=O)CC1CC1 ZINC000821700407 607095022 /nfs/dbraw/zinc/09/50/22/607095022.db2.gz NSNZEPDWEFCQFX-UHFFFAOYSA-N -1 3 395.441 0.195 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000823358788 607096036 /nfs/dbraw/zinc/09/60/36/607096036.db2.gz FHFSIJBWTVPZTH-GFCCVEGCSA-N -1 3 398.345 0.967 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000823358788 607096038 /nfs/dbraw/zinc/09/60/38/607096038.db2.gz FHFSIJBWTVPZTH-GFCCVEGCSA-N -1 3 398.345 0.967 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[S@@](C)=O ZINC000820242915 607096950 /nfs/dbraw/zinc/09/69/50/607096950.db2.gz RCCRPSCBQUUVEP-IWHNICOQSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[S@@](C)=O ZINC000820242915 607096951 /nfs/dbraw/zinc/09/69/51/607096951.db2.gz RCCRPSCBQUUVEP-IWHNICOQSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[S@](C)=O ZINC000820242322 607096984 /nfs/dbraw/zinc/09/69/84/607096984.db2.gz MYVAUTJSTIQTPR-NRYVIMAVSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[S@](C)=O ZINC000820242322 607096985 /nfs/dbraw/zinc/09/69/85/607096985.db2.gz MYVAUTJSTIQTPR-NRYVIMAVSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[S@](C)=O ZINC000820242162 607098603 /nfs/dbraw/zinc/09/86/03/607098603.db2.gz LHYCRDSSEXXUPF-JGFSIVIASA-N -1 3 388.457 0.522 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[S@](C)=O ZINC000820242162 607098605 /nfs/dbraw/zinc/09/86/05/607098605.db2.gz LHYCRDSSEXXUPF-JGFSIVIASA-N -1 3 388.457 0.522 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)nc1 ZINC000823054731 607100169 /nfs/dbraw/zinc/10/01/69/607100169.db2.gz DLHNUTSJQAOMSS-UHFFFAOYSA-N -1 3 376.373 0.954 20 0 GCADHM CC(C)C[C@H](CO)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820056877 607102692 /nfs/dbraw/zinc/10/26/92/607102692.db2.gz UXDTUMYKTIVIID-OAHLLOKOSA-N -1 3 388.476 0.937 20 0 GCADHM CC(C)C[C@H](CO)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820056877 607102693 /nfs/dbraw/zinc/10/26/93/607102693.db2.gz UXDTUMYKTIVIID-OAHLLOKOSA-N -1 3 388.476 0.937 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820803745 607102796 /nfs/dbraw/zinc/10/27/96/607102796.db2.gz GOGZSASMAGTFCK-PWSUYJOCSA-N -1 3 380.836 0.930 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820803745 607102798 /nfs/dbraw/zinc/10/27/98/607102798.db2.gz GOGZSASMAGTFCK-PWSUYJOCSA-N -1 3 380.836 0.930 20 0 GCADHM C[C@H]1CO[C@H](CO)CN1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820803648 607103264 /nfs/dbraw/zinc/10/32/64/607103264.db2.gz DPXHWJPNRSNAQZ-QWRGUYRKSA-N -1 3 392.485 0.827 20 0 GCADHM C[C@H]1CO[C@H](CO)CN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820803648 607103265 /nfs/dbraw/zinc/10/32/65/607103265.db2.gz DPXHWJPNRSNAQZ-QWRGUYRKSA-N -1 3 392.485 0.827 20 0 GCADHM O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823149833 607110987 /nfs/dbraw/zinc/11/09/87/607110987.db2.gz HSTHMAIHEPNGCZ-CQSZACIVSA-N -1 3 394.443 0.894 20 0 GCADHM Cc1nc(C)c(C(=O)COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822427071 607111913 /nfs/dbraw/zinc/11/19/13/607111913.db2.gz BWIXXMAABFUAMO-UHFFFAOYSA-N -1 3 384.352 0.627 20 0 GCADHM Cc1nc(C)c(C(=O)COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822427071 607111915 /nfs/dbraw/zinc/11/19/15/607111915.db2.gz BWIXXMAABFUAMO-UHFFFAOYSA-N -1 3 384.352 0.627 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCOCC1CC1 ZINC000820445199 607115968 /nfs/dbraw/zinc/11/59/68/607115968.db2.gz OMAQAUHXUJRUQS-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCOCC1CC1 ZINC000820445199 607115969 /nfs/dbraw/zinc/11/59/69/607115969.db2.gz OMAQAUHXUJRUQS-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM CC(C)CC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820050632 607115984 /nfs/dbraw/zinc/11/59/84/607115984.db2.gz DLNUREYSEUHBNH-NSHDSACASA-N -1 3 395.441 0.692 20 0 GCADHM CC(C)CC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820050632 607115986 /nfs/dbraw/zinc/11/59/86/607115986.db2.gz DLNUREYSEUHBNH-NSHDSACASA-N -1 3 395.441 0.692 20 0 GCADHM CC(C)OCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820142528 607116014 /nfs/dbraw/zinc/11/60/14/607116014.db2.gz ORUTUKYATASFLQ-LBPRGKRZSA-N -1 3 397.457 0.892 20 0 GCADHM CC(C)OCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820142528 607116015 /nfs/dbraw/zinc/11/60/15/607116015.db2.gz ORUTUKYATASFLQ-LBPRGKRZSA-N -1 3 397.457 0.892 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)C(C)(C)C ZINC000820444529 607116048 /nfs/dbraw/zinc/11/60/48/607116048.db2.gz KBWYLEMNRXZHQO-SNVBAGLBSA-N -1 3 395.441 0.692 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)C(C)(C)C ZINC000820444529 607116050 /nfs/dbraw/zinc/11/60/50/607116050.db2.gz KBWYLEMNRXZHQO-SNVBAGLBSA-N -1 3 395.441 0.692 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821138898 607117775 /nfs/dbraw/zinc/11/77/75/607117775.db2.gz JQQSANAWMNBUJB-CQSZACIVSA-N -1 3 375.433 0.679 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821138898 607117777 /nfs/dbraw/zinc/11/77/77/607117777.db2.gz JQQSANAWMNBUJB-CQSZACIVSA-N -1 3 375.433 0.679 20 0 GCADHM CN(C)c1nc(N)nc(COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821591034 607118492 /nfs/dbraw/zinc/11/84/92/607118492.db2.gz RKMQUUIEKCZZDS-UHFFFAOYSA-N -1 3 399.415 0.601 20 0 GCADHM CN(C)c1nc(N)nc(COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821591034 607118495 /nfs/dbraw/zinc/11/84/95/607118495.db2.gz RKMQUUIEKCZZDS-UHFFFAOYSA-N -1 3 399.415 0.601 20 0 GCADHM CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821285996 607118556 /nfs/dbraw/zinc/11/85/56/607118556.db2.gz NMSUPXFGORTHHX-SNVBAGLBSA-N -1 3 390.400 0.802 20 0 GCADHM CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821285996 607118558 /nfs/dbraw/zinc/11/85/58/607118558.db2.gz NMSUPXFGORTHHX-SNVBAGLBSA-N -1 3 390.400 0.802 20 0 GCADHM CCNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821285995 607118626 /nfs/dbraw/zinc/11/86/26/607118626.db2.gz NMSUPXFGORTHHX-JTQLQIEISA-N -1 3 390.400 0.802 20 0 GCADHM CCNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821285995 607118627 /nfs/dbraw/zinc/11/86/27/607118627.db2.gz NMSUPXFGORTHHX-JTQLQIEISA-N -1 3 390.400 0.802 20 0 GCADHM CCC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820831999 607120531 /nfs/dbraw/zinc/12/05/31/607120531.db2.gz GSLYGEACTCAESW-VHSXEESVSA-N -1 3 381.414 0.444 20 0 GCADHM CCC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820831999 607120533 /nfs/dbraw/zinc/12/05/33/607120533.db2.gz GSLYGEACTCAESW-VHSXEESVSA-N -1 3 381.414 0.444 20 0 GCADHM CCOC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821315043 607121443 /nfs/dbraw/zinc/12/14/43/607121443.db2.gz OYWYMORDJHMEBR-UWVGGRQHSA-N -1 3 397.413 0.028 20 0 GCADHM CCOC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821315043 607121445 /nfs/dbraw/zinc/12/14/45/607121445.db2.gz OYWYMORDJHMEBR-UWVGGRQHSA-N -1 3 397.413 0.028 20 0 GCADHM O=C(CN1C[C@@H](CO)Oc2ccccc21)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822992730 607123226 /nfs/dbraw/zinc/12/32/26/607123226.db2.gz LWLBXDFJJUKYPV-HNNXBMFYSA-N -1 3 380.408 0.743 20 0 GCADHM O=C(CN1C[C@@H](CO)Oc2ccccc21)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822992730 607123228 /nfs/dbraw/zinc/12/32/28/607123228.db2.gz LWLBXDFJJUKYPV-HNNXBMFYSA-N -1 3 380.408 0.743 20 0 GCADHM O=C(CN1C[C@H](CO)Oc2ccccc21)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822992733 607123425 /nfs/dbraw/zinc/12/34/25/607123425.db2.gz LWLBXDFJJUKYPV-OAHLLOKOSA-N -1 3 380.408 0.743 20 0 GCADHM O=C(CN1C[C@H](CO)Oc2ccccc21)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822992733 607123426 /nfs/dbraw/zinc/12/34/26/607123426.db2.gz LWLBXDFJJUKYPV-OAHLLOKOSA-N -1 3 380.408 0.743 20 0 GCADHM O=C(CN1C[C@@H](CO)Oc2ccccc21)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822993726 607123453 /nfs/dbraw/zinc/12/34/53/607123453.db2.gz XFKLVCYQCWTFFY-HNNXBMFYSA-N -1 3 380.408 0.743 20 0 GCADHM O=C(CN1C[C@@H](CO)Oc2ccccc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822993726 607123454 /nfs/dbraw/zinc/12/34/54/607123454.db2.gz XFKLVCYQCWTFFY-HNNXBMFYSA-N -1 3 380.408 0.743 20 0 GCADHM C[C@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000820233850 607123834 /nfs/dbraw/zinc/12/38/34/607123834.db2.gz LRVRGSXUZKXPLQ-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000820233850 607123836 /nfs/dbraw/zinc/12/38/36/607123836.db2.gz LRVRGSXUZKXPLQ-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820235909 607123839 /nfs/dbraw/zinc/12/38/39/607123839.db2.gz UZQLUIPWBLYACF-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820235909 607123841 /nfs/dbraw/zinc/12/38/41/607123841.db2.gz UZQLUIPWBLYACF-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](C[C@@H]1CCOC1)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000820233847 607123858 /nfs/dbraw/zinc/12/38/58/607123858.db2.gz LRVRGSXUZKXPLQ-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](C[C@@H]1CCOC1)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000820233847 607123860 /nfs/dbraw/zinc/12/38/60/607123860.db2.gz LRVRGSXUZKXPLQ-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM COC(=O)[C@@H](OC(=O)Cn1c(C)cc(O)cc1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648295 607132456 /nfs/dbraw/zinc/13/24/56/607132456.db2.gz GICPKZBWQIHUJL-INIZCTEOSA-N -1 3 399.363 0.500 20 0 GCADHM COC(=O)[C@@H](OC(=O)Cn1c(C)cc(O)cc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648295 607132457 /nfs/dbraw/zinc/13/24/57/607132457.db2.gz GICPKZBWQIHUJL-INIZCTEOSA-N -1 3 399.363 0.500 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000820151409 607135398 /nfs/dbraw/zinc/13/53/98/607135398.db2.gz GRSZZTWNSDGWBC-SMDDNHRTSA-N -1 3 389.416 0.808 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000820151409 607135399 /nfs/dbraw/zinc/13/53/99/607135399.db2.gz GRSZZTWNSDGWBC-SMDDNHRTSA-N -1 3 389.416 0.808 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000821309380 607144284 /nfs/dbraw/zinc/14/42/84/607144284.db2.gz NWCOAFIVOXYASE-UHFFFAOYSA-N -1 3 384.404 0.231 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCS[C@H]2COCC[C@@H]21 ZINC000823567338 607146272 /nfs/dbraw/zinc/14/62/72/607146272.db2.gz QIKXNTQFGVSHAK-KBPBESRZSA-N -1 3 381.483 0.903 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCS[C@H]2COCC[C@@H]21 ZINC000823567338 607146273 /nfs/dbraw/zinc/14/62/73/607146273.db2.gz QIKXNTQFGVSHAK-KBPBESRZSA-N -1 3 381.483 0.903 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCOC2(CCOCC2)C1 ZINC000823605895 607146574 /nfs/dbraw/zinc/14/65/74/607146574.db2.gz CIAJNFCGMODBQK-UHFFFAOYSA-N -1 3 383.405 0.576 20 0 GCADHM O=C(C1=CCCC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822911912 607152617 /nfs/dbraw/zinc/15/26/17/607152617.db2.gz DFRDACHMGVYWDW-UHFFFAOYSA-N -1 3 388.453 0.810 20 0 GCADHM O=C(C1=CCCC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822911912 607152619 /nfs/dbraw/zinc/15/26/19/607152619.db2.gz DFRDACHMGVYWDW-UHFFFAOYSA-N -1 3 388.453 0.810 20 0 GCADHM Cc1cc(C[C@@H](C)NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[nH]n1 ZINC000822200153 607155114 /nfs/dbraw/zinc/15/51/14/607155114.db2.gz WUBXWFUFRPEBBL-GFCCVEGCSA-N -1 3 396.459 0.756 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)sn1 ZINC000822207105 607158496 /nfs/dbraw/zinc/15/84/96/607158496.db2.gz KRUGQEVYWYDHST-VIFPVBQESA-N -1 3 393.454 0.937 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)sn1 ZINC000822207105 607158498 /nfs/dbraw/zinc/15/84/98/607158498.db2.gz KRUGQEVYWYDHST-VIFPVBQESA-N -1 3 393.454 0.937 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000821700379 607167223 /nfs/dbraw/zinc/16/72/23/607167223.db2.gz MPRYGTORAIXHGX-SWLSCSKDSA-N -1 3 391.453 0.987 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCS[C@@H]2COCC[C@@H]21 ZINC000821700379 607167225 /nfs/dbraw/zinc/16/72/25/607167225.db2.gz MPRYGTORAIXHGX-SWLSCSKDSA-N -1 3 391.453 0.987 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000821700377 607167253 /nfs/dbraw/zinc/16/72/53/607167253.db2.gz MPRYGTORAIXHGX-DOMZBBRYSA-N -1 3 391.453 0.987 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCS[C@H]2COCC[C@H]21 ZINC000821700377 607167255 /nfs/dbraw/zinc/16/72/55/607167255.db2.gz MPRYGTORAIXHGX-DOMZBBRYSA-N -1 3 391.453 0.987 20 0 GCADHM Cc1cc(-c2nnc(SCC(=O)Nc3cccc(-c4nnn[n-]4)c3)n2N)n[nH]1 ZINC000822130302 607169763 /nfs/dbraw/zinc/16/97/63/607169763.db2.gz SQJHIHHRXDQDAA-UHFFFAOYSA-N -1 3 397.428 0.601 20 0 GCADHM Cc1cc(-c2nnc(SCC(=O)Nc3cccc(-c4nn[n-]n4)c3)n2N)n[nH]1 ZINC000822130302 607169764 /nfs/dbraw/zinc/16/97/64/607169764.db2.gz SQJHIHHRXDQDAA-UHFFFAOYSA-N -1 3 397.428 0.601 20 0 GCADHM CCOC(=O)C1=C(COc2ccc(-c3nnn[n-]3)cc2F)NC(=O)N[C@H]1C ZINC000821321413 607170489 /nfs/dbraw/zinc/17/04/89/607170489.db2.gz WPCQLGXINYHGOX-QMMMGPOBSA-N -1 3 376.348 0.903 20 0 GCADHM CCOC(=O)C1=C(COc2ccc(-c3nn[n-]n3)cc2F)NC(=O)N[C@H]1C ZINC000821321413 607170490 /nfs/dbraw/zinc/17/04/90/607170490.db2.gz WPCQLGXINYHGOX-QMMMGPOBSA-N -1 3 376.348 0.903 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822674501 607171440 /nfs/dbraw/zinc/17/14/40/607171440.db2.gz VVACBLFAZORHGQ-DYVFJYSZSA-N -1 3 382.384 0.101 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674501 607171441 /nfs/dbraw/zinc/17/14/41/607171441.db2.gz VVACBLFAZORHGQ-DYVFJYSZSA-N -1 3 382.384 0.101 20 0 GCADHM Cc1nc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nc(N(C)C)n1 ZINC000822454607 607173031 /nfs/dbraw/zinc/17/30/31/607173031.db2.gz YVEFEQQLEXXKHN-UHFFFAOYSA-N -1 3 381.448 0.902 20 0 GCADHM Cc1nc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nc(N(C)C)n1 ZINC000822454607 607173032 /nfs/dbraw/zinc/17/30/32/607173032.db2.gz YVEFEQQLEXXKHN-UHFFFAOYSA-N -1 3 381.448 0.902 20 0 GCADHM O=C1NC[C@@H]2CN(c3ccc(C(F)(F)F)cc3-c3nnn[n-]3)CCN2C1=O ZINC000823547735 607174087 /nfs/dbraw/zinc/17/40/87/607174087.db2.gz ONNLEZHSMKQLOG-SECBINFHSA-N -1 3 381.318 0.033 20 0 GCADHM O=C1NC[C@@H]2CN(c3ccc(C(F)(F)F)cc3-c3nn[n-]n3)CCN2C1=O ZINC000823547735 607174088 /nfs/dbraw/zinc/17/40/88/607174088.db2.gz ONNLEZHSMKQLOG-SECBINFHSA-N -1 3 381.318 0.033 20 0 GCADHM CN(Cc1nc(-c2cccnc2)no1)[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821617060 607176252 /nfs/dbraw/zinc/17/62/52/607176252.db2.gz UXJSKTGLQVTMPV-OAHLLOKOSA-N -1 3 391.395 0.970 20 0 GCADHM CN(Cc1nc(-c2cccnc2)no1)[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821617060 607176253 /nfs/dbraw/zinc/17/62/53/607176253.db2.gz UXJSKTGLQVTMPV-OAHLLOKOSA-N -1 3 391.395 0.970 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c(-c2nnn[n-]2)c1 ZINC000822899877 607176604 /nfs/dbraw/zinc/17/66/04/607176604.db2.gz XASVBUHYYWIMLK-BMIGLBTASA-N -1 3 396.498 0.981 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c(-c2nn[n-]n2)c1 ZINC000822899877 607176605 /nfs/dbraw/zinc/17/66/05/607176605.db2.gz XASVBUHYYWIMLK-BMIGLBTASA-N -1 3 396.498 0.981 20 0 GCADHM O=C(NCCCN1CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823191422 607179441 /nfs/dbraw/zinc/17/94/41/607179441.db2.gz MMVGXQAJCZKQAK-UHFFFAOYSA-N -1 3 393.835 0.297 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)N1CCOCC1 ZINC000820259697 607179738 /nfs/dbraw/zinc/17/97/38/607179738.db2.gz BDFOEADPZDETRF-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCOCC1 ZINC000820259697 607179739 /nfs/dbraw/zinc/17/97/39/607179739.db2.gz BDFOEADPZDETRF-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820133435 607179793 /nfs/dbraw/zinc/17/97/93/607179793.db2.gz ROEFNZHTQHWUQF-UHFFFAOYSA-N -1 3 379.808 0.442 20 0 GCADHM CC(C)NC(=O)CN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820133435 607179794 /nfs/dbraw/zinc/17/97/94/607179794.db2.gz ROEFNZHTQHWUQF-UHFFFAOYSA-N -1 3 379.808 0.442 20 0 GCADHM O=C(NC[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823166198 607180265 /nfs/dbraw/zinc/18/02/65/607180265.db2.gz HDOOHIGLGZJDRM-MRVPVSSYSA-N -1 3 378.698 0.498 20 0 GCADHM O=C(NC[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823166198 607180266 /nfs/dbraw/zinc/18/02/66/607180266.db2.gz HDOOHIGLGZJDRM-MRVPVSSYSA-N -1 3 378.698 0.498 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820295126 607181540 /nfs/dbraw/zinc/18/15/40/607181540.db2.gz YSKLAEWBTCYXDO-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820295126 607181541 /nfs/dbraw/zinc/18/15/41/607181541.db2.gz YSKLAEWBTCYXDO-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM CCN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821276373 607181833 /nfs/dbraw/zinc/18/18/33/607181833.db2.gz KENFZTALJBWPMW-NSHDSACASA-N -1 3 393.835 0.296 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823211003 607182112 /nfs/dbraw/zinc/18/21/12/607182112.db2.gz JXCYUPVXBSYJJB-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823211003 607182113 /nfs/dbraw/zinc/18/21/13/607182113.db2.gz JXCYUPVXBSYJJB-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823211004 607182244 /nfs/dbraw/zinc/18/22/44/607182244.db2.gz JXCYUPVXBSYJJB-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823211004 607182245 /nfs/dbraw/zinc/18/22/45/607182245.db2.gz JXCYUPVXBSYJJB-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC(C)(C)C ZINC000820316999 607183032 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0.769 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000823265562 607188151 /nfs/dbraw/zinc/18/81/51/607188151.db2.gz AGBYLLALSAYGMJ-LBPRGKRZSA-N -1 3 387.425 0.308 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000823265562 607188152 /nfs/dbraw/zinc/18/81/52/607188152.db2.gz AGBYLLALSAYGMJ-LBPRGKRZSA-N -1 3 387.425 0.308 20 0 GCADHM CS(=O)(=O)CCOCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821926794 607197562 /nfs/dbraw/zinc/19/75/62/607197562.db2.gz KKNLNHMTZPZLKV-UHFFFAOYSA-N -1 3 388.837 0.703 20 0 GCADHM CS(=O)(=O)CCOCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821926794 607197563 /nfs/dbraw/zinc/19/75/63/607197563.db2.gz KKNLNHMTZPZLKV-UHFFFAOYSA-N -1 3 388.837 0.703 20 0 GCADHM O=C(NCCCN1C(=O)CNC1=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823187729 607204605 /nfs/dbraw/zinc/20/46/05/607204605.db2.gz PGCFOZNUXJRJPS-UHFFFAOYSA-N -1 3 378.780 0.584 20 0 GCADHM O=C(NCCCN1C(=O)CNC1=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823187729 607204606 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607235010 /nfs/dbraw/zinc/23/50/10/607235010.db2.gz TZBAOJYMSCWIIL-ZDUSSCGKSA-N -1 3 383.412 0.877 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822895567 607235250 /nfs/dbraw/zinc/23/52/50/607235250.db2.gz TUTCJVHAYIWQOM-LBPRGKRZSA-N -1 3 396.498 0.628 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822895567 607235251 /nfs/dbraw/zinc/23/52/51/607235251.db2.gz TUTCJVHAYIWQOM-LBPRGKRZSA-N -1 3 396.498 0.628 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819803960 607242214 /nfs/dbraw/zinc/24/22/14/607242214.db2.gz RYAQYPLIVRSGCH-ZDUSSCGKSA-N -1 3 391.819 0.586 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819803960 607242215 /nfs/dbraw/zinc/24/22/15/607242215.db2.gz RYAQYPLIVRSGCH-ZDUSSCGKSA-N -1 3 391.819 0.586 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)Cc1ccccc1OC ZINC000826104025 607772441 /nfs/dbraw/zinc/77/24/41/607772441.db2.gz NZHVROXIXYIJFF-LBPRGKRZSA-N -1 3 384.396 0.965 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)Cc1ccccc1OC ZINC000826104025 607772442 /nfs/dbraw/zinc/77/24/42/607772442.db2.gz NZHVROXIXYIJFF-LBPRGKRZSA-N -1 3 384.396 0.965 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Cc1ccccc1OC ZINC000826103441 607772485 /nfs/dbraw/zinc/77/24/85/607772485.db2.gz GVSILGHFYCAVGI-ZDUSSCGKSA-N -1 3 384.396 0.965 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Cc1ccccc1OC ZINC000826103441 607772486 /nfs/dbraw/zinc/77/24/86/607772486.db2.gz GVSILGHFYCAVGI-ZDUSSCGKSA-N -1 3 384.396 0.965 20 0 GCADHM CN(C)c1ncc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000825883207 607773143 /nfs/dbraw/zinc/77/31/43/607773143.db2.gz DIUOUZFTKINZNU-UHFFFAOYSA-N -1 3 385.363 0.117 20 0 GCADHM CN(C)c1ncc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000825883207 607773144 /nfs/dbraw/zinc/77/31/44/607773144.db2.gz DIUOUZFTKINZNU-UHFFFAOYSA-N -1 3 385.363 0.117 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)s1 ZINC000826330483 607773462 /nfs/dbraw/zinc/77/34/62/607773462.db2.gz VXCYICUJTSQFIG-UHFFFAOYSA-N -1 3 398.452 0.919 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)s1 ZINC000826330483 607773463 /nfs/dbraw/zinc/77/34/63/607773463.db2.gz VXCYICUJTSQFIG-UHFFFAOYSA-N -1 3 398.452 0.919 20 0 GCADHM C[C@H](O)CCNC(=O)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824700292 607773597 /nfs/dbraw/zinc/77/35/97/607773597.db2.gz XWACKGLMOYNIAS-VIFPVBQESA-N -1 3 387.425 0.816 20 0 GCADHM C[C@H](O)CCNC(=O)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824700292 607773598 /nfs/dbraw/zinc/77/35/98/607773598.db2.gz XWACKGLMOYNIAS-VIFPVBQESA-N -1 3 387.425 0.816 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826453420 607774936 /nfs/dbraw/zinc/77/49/36/607774936.db2.gz JYYCVKOKIHBIQQ-NSHDSACASA-N -1 3 399.390 0.475 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826453420 607774937 /nfs/dbraw/zinc/77/49/37/607774937.db2.gz JYYCVKOKIHBIQQ-NSHDSACASA-N -1 3 399.390 0.475 20 0 GCADHM O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826434779 607776104 /nfs/dbraw/zinc/77/61/04/607776104.db2.gz XITFHWHHGJNVAN-LJQANCHMSA-N -1 3 396.382 0.895 20 0 GCADHM O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826434779 607776105 /nfs/dbraw/zinc/77/61/05/607776105.db2.gz XITFHWHHGJNVAN-LJQANCHMSA-N -1 3 396.382 0.895 20 0 GCADHM O=C(Nc1ccccc1Oc1ncccc1-c1nnn[n-]1)C(=O)N[C@H]1CCOC1 ZINC000826457750 607776155 /nfs/dbraw/zinc/77/61/55/607776155.db2.gz OLIFAGLCDANGJF-NSHDSACASA-N -1 3 395.379 0.898 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@@]1(O)CCc2ccccc21 ZINC000826438134 607781723 /nfs/dbraw/zinc/78/17/23/607781723.db2.gz OILOKQQGUKGYRW-IBGZPJMESA-N -1 3 394.439 0.807 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@@]1(O)CCc2ccccc21 ZINC000826438134 607781724 /nfs/dbraw/zinc/78/17/24/607781724.db2.gz OILOKQQGUKGYRW-IBGZPJMESA-N -1 3 394.439 0.807 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@]1(O)CCc2ccccc21 ZINC000826437901 607781765 /nfs/dbraw/zinc/78/17/65/607781765.db2.gz GPGQQVXVMREJGJ-LJQANCHMSA-N -1 3 394.439 0.807 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@]1(O)CCc2ccccc21 ZINC000826437901 607781766 /nfs/dbraw/zinc/78/17/66/607781766.db2.gz GPGQQVXVMREJGJ-LJQANCHMSA-N -1 3 394.439 0.807 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826437856 607793638 /nfs/dbraw/zinc/79/36/38/607793638.db2.gz DNIKWMYQHUQHSX-AWEZNQCLSA-N -1 3 394.443 0.647 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826437856 607793639 /nfs/dbraw/zinc/79/36/39/607793639.db2.gz DNIKWMYQHUQHSX-AWEZNQCLSA-N -1 3 394.443 0.647 20 0 GCADHM CCN(CCS(C)(=O)=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825424422 607793782 /nfs/dbraw/zinc/79/37/82/607793782.db2.gz GMDMQIUTLLTVGF-UHFFFAOYSA-N -1 3 382.446 0.322 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000824738567 607794324 /nfs/dbraw/zinc/79/43/24/607794324.db2.gz QINHFRQDJQSYKF-RYUDHWBXSA-N -1 3 394.457 0.032 20 0 GCADHM CCS(=O)(=O)NCCCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825663109 607794559 /nfs/dbraw/zinc/79/45/59/607794559.db2.gz JAYVSGOQEHKWNY-UHFFFAOYSA-N -1 3 397.480 0.457 20 0 GCADHM CCS(=O)(=O)NCCCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000825663109 607794560 /nfs/dbraw/zinc/79/45/60/607794560.db2.gz JAYVSGOQEHKWNY-UHFFFAOYSA-N -1 3 397.480 0.457 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223121 607794693 /nfs/dbraw/zinc/79/46/93/607794693.db2.gz BWQUUHUJMKISOM-NSHDSACASA-N -1 3 396.498 0.357 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223121 607794694 /nfs/dbraw/zinc/79/46/94/607794694.db2.gz BWQUUHUJMKISOM-NSHDSACASA-N -1 3 396.498 0.357 20 0 GCADHM CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367448 607797938 /nfs/dbraw/zinc/79/79/38/607797938.db2.gz QFFHFSZGMYJGOF-UHFFFAOYSA-N -1 3 378.458 0.891 20 0 GCADHM CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367448 607797939 /nfs/dbraw/zinc/79/79/39/607797939.db2.gz QFFHFSZGMYJGOF-UHFFFAOYSA-N -1 3 378.458 0.891 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000824730343 607801191 /nfs/dbraw/zinc/80/11/91/607801191.db2.gz MTOBEBSIVXTGKM-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM CS(=O)(=O)CCN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000826222777 607801587 /nfs/dbraw/zinc/80/15/87/607801587.db2.gz MMYPQGXZNBFVBH-UHFFFAOYSA-N -1 3 398.876 0.968 20 0 GCADHM CS(=O)(=O)CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000826222777 607801588 /nfs/dbraw/zinc/80/15/88/607801588.db2.gz MMYPQGXZNBFVBH-UHFFFAOYSA-N -1 3 398.876 0.968 20 0 GCADHM Cc1sc(NC(=O)CN(CCS(C)(=O)=O)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826349463 607802565 /nfs/dbraw/zinc/80/25/65/607802565.db2.gz ILVUYLYXVSYZHJ-UHFFFAOYSA-N -1 3 398.514 0.993 20 0 GCADHM Cc1sc(NC(=O)CN(CCS(C)(=O)=O)C2CC2)c(-c2nn[n-]n2)c1C ZINC000826349463 607802566 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ZINC000825620408 607836787 /nfs/dbraw/zinc/83/67/87/607836787.db2.gz AVZIUOKQFRACBL-GFCCVEGCSA-N -1 3 387.444 0.757 20 0 GCADHM COCC[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826154762 607837041 /nfs/dbraw/zinc/83/70/41/607837041.db2.gz XDWQEMQNRKOZTE-WDEREUQCSA-N -1 3 383.430 0.502 20 0 GCADHM COCC[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826154762 607837042 /nfs/dbraw/zinc/83/70/42/607837042.db2.gz XDWQEMQNRKOZTE-WDEREUQCSA-N -1 3 383.430 0.502 20 0 GCADHM C[C@@H]1COCCN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000825005680 607837570 /nfs/dbraw/zinc/83/75/70/607837570.db2.gz BSUMOWNNPUIOCP-ZDUSSCGKSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H]1COCCN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000825005680 607837571 /nfs/dbraw/zinc/83/75/71/607837571.db2.gz BSUMOWNNPUIOCP-ZDUSSCGKSA-N -1 3 386.460 0.908 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000823975323 607852463 /nfs/dbraw/zinc/85/24/63/607852463.db2.gz WWZUDKOATPITJQ-CYBMUJFWSA-N -1 3 378.458 0.664 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000823975323 607852464 /nfs/dbraw/zinc/85/24/64/607852464.db2.gz WWZUDKOATPITJQ-CYBMUJFWSA-N -1 3 378.458 0.664 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)[C@H]2C1 ZINC000826145354 607852562 /nfs/dbraw/zinc/85/25/62/607852562.db2.gz FJRCQXMETZKJMZ-SNPRPXQTSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)[C@H]2C1 ZINC000826145354 607852563 /nfs/dbraw/zinc/85/25/63/607852563.db2.gz FJRCQXMETZKJMZ-SNPRPXQTSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)[C@@H]2C1 ZINC000826145821 607852637 /nfs/dbraw/zinc/85/26/37/607852637.db2.gz MQHLNIBFOCQSBC-BNOWGMLFSA-N -1 3 397.432 0.963 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)[C@@H]2C1 ZINC000826145821 607852638 /nfs/dbraw/zinc/85/26/38/607852638.db2.gz MQHLNIBFOCQSBC-BNOWGMLFSA-N -1 3 397.432 0.963 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823975310 607857996 /nfs/dbraw/zinc/85/79/96/607857996.db2.gz WRFIGXJJZFAWMG-CQSZACIVSA-N -1 3 392.485 0.441 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823975310 607857997 /nfs/dbraw/zinc/85/79/97/607857997.db2.gz WRFIGXJJZFAWMG-CQSZACIVSA-N -1 3 392.485 0.441 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)[C@@H]2C1 ZINC000826145255 607859139 /nfs/dbraw/zinc/85/91/39/607859139.db2.gz CMNMMPQHXLKKMI-BRWVUGGUSA-N -1 3 386.456 0.751 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)[C@@H]2C1 ZINC000826145255 607859140 /nfs/dbraw/zinc/85/91/40/607859140.db2.gz CMNMMPQHXLKKMI-BRWVUGGUSA-N -1 3 386.456 0.751 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](CO)CC2CC2)cc1-c1nnn[n-]1 ZINC000824323915 607860390 /nfs/dbraw/zinc/86/03/90/607860390.db2.gz DAHOUPXAVQOGJU-CYBMUJFWSA-N -1 3 388.428 0.870 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](CO)CC2CC2)cc1-c1nn[n-]n1 ZINC000824323915 607860391 /nfs/dbraw/zinc/86/03/91/607860391.db2.gz DAHOUPXAVQOGJU-CYBMUJFWSA-N -1 3 388.428 0.870 20 0 GCADHM CN(C[C@@H]1CCC[C@H]1O)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825909230 607862987 /nfs/dbraw/zinc/86/29/87/607862987.db2.gz UNCIMZJLRFSYNN-SWLSCSKDSA-N -1 3 382.428 0.868 20 0 GCADHM CN(C[C@@H]1CCC[C@H]1O)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825909230 607862988 /nfs/dbraw/zinc/86/29/88/607862988.db2.gz UNCIMZJLRFSYNN-SWLSCSKDSA-N -1 3 382.428 0.868 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000826174542 607870910 /nfs/dbraw/zinc/87/09/10/607870910.db2.gz AUNQJCHKIXCANE-GFCCVEGCSA-N -1 3 395.375 0.911 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC000826174542 607870911 /nfs/dbraw/zinc/87/09/11/607870911.db2.gz AUNQJCHKIXCANE-GFCCVEGCSA-N -1 3 395.375 0.911 20 0 GCADHM COc1cccc(C(N)=O)c1OC[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826215165 607872586 /nfs/dbraw/zinc/87/25/86/607872586.db2.gz IHWYZMAVURPRKI-GFCCVEGCSA-N -1 3 385.380 0.793 20 0 GCADHM O[C@H](COc1ccc(Br)cc1-c1nnn[n-]1)CN1CCOCC1 ZINC000826505467 607874564 /nfs/dbraw/zinc/87/45/64/607874564.db2.gz WHZALGKQATUSBU-NSHDSACASA-N -1 3 384.234 0.701 20 0 GCADHM O[C@H](COc1ccc(Br)cc1-c1nn[n-]n1)CN1CCOCC1 ZINC000826505467 607874565 /nfs/dbraw/zinc/87/45/65/607874565.db2.gz WHZALGKQATUSBU-NSHDSACASA-N -1 3 384.234 0.701 20 0 GCADHM CC[C@@]1(c2ccc(OC(=O)c3cc(-c4nnn[n-]4)cn3C)cc2)NC(=O)NC1=O ZINC000825176570 607877138 /nfs/dbraw/zinc/87/71/38/607877138.db2.gz YHIXYHRFONMVDK-SFHVURJKSA-N -1 3 395.379 0.869 20 0 GCADHM CC[C@@]1(c2ccc(OC(=O)c3cc(-c4nn[n-]n4)cn3C)cc2)NC(=O)NC1=O ZINC000825176570 607877139 /nfs/dbraw/zinc/87/71/39/607877139.db2.gz YHIXYHRFONMVDK-SFHVURJKSA-N -1 3 395.379 0.869 20 0 GCADHM CCN(C(=O)c1cn(CC(N)=O)nn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385745 607878998 /nfs/dbraw/zinc/87/89/98/607878998.db2.gz SJQNFHXJAUNCNF-UHFFFAOYSA-N -1 3 375.780 0.264 20 0 GCADHM CCN(C(=O)c1cn(CC(N)=O)nn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385745 607878999 /nfs/dbraw/zinc/87/89/99/607878999.db2.gz SJQNFHXJAUNCNF-UHFFFAOYSA-N -1 3 375.780 0.264 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCS(=O)(=O)Cc1nccc(C)n1 ZINC000826176581 607880581 /nfs/dbraw/zinc/88/05/81/607880581.db2.gz VGMBCJLXRWEBQS-UHFFFAOYSA-N -1 3 390.425 0.968 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCS(=O)(=O)Cc1nccc(C)n1 ZINC000826176581 607880582 /nfs/dbraw/zinc/88/05/82/607880582.db2.gz VGMBCJLXRWEBQS-UHFFFAOYSA-N -1 3 390.425 0.968 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)[C@H]2CCCO2)nn1-c1ccccc1 ZINC000826395228 607881371 /nfs/dbraw/zinc/88/13/71/607881371.db2.gz SISVONIVFUXBFW-CQSZACIVSA-N -1 3 382.428 0.862 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)[C@H]2CCCO2)nn1-c1ccccc1 ZINC000826395228 607881372 /nfs/dbraw/zinc/88/13/72/607881372.db2.gz SISVONIVFUXBFW-CQSZACIVSA-N -1 3 382.428 0.862 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2cc(-c3nn[n-]n3)ccc2OC)C1=O ZINC000825176394 607894081 /nfs/dbraw/zinc/89/40/81/607894081.db2.gz RTOCZJOMRGVYFO-GOSISDBHSA-N -1 3 396.411 0.966 20 0 GCADHM NS(=O)(=O)[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000826394683 607899417 /nfs/dbraw/zinc/89/94/17/607899417.db2.gz UKTSVVUPPZMJAK-VIFPVBQESA-N -1 3 379.833 0.936 20 0 GCADHM NS(=O)(=O)[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000826394683 607899418 /nfs/dbraw/zinc/89/94/18/607899418.db2.gz UKTSVVUPPZMJAK-VIFPVBQESA-N -1 3 379.833 0.936 20 0 GCADHM O=C(NCCN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)c1ccccc1F ZINC000826437684 607899475 /nfs/dbraw/zinc/89/94/75/607899475.db2.gz XHGGTVNVPKJNCR-UHFFFAOYSA-N -1 3 396.430 0.953 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825211404 607906959 /nfs/dbraw/zinc/90/69/59/607906959.db2.gz MNAMNHJBNYBDIR-DOMZBBRYSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825211404 607906960 /nfs/dbraw/zinc/90/69/60/607906960.db2.gz MNAMNHJBNYBDIR-DOMZBBRYSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825211414 607907132 /nfs/dbraw/zinc/90/71/32/607907132.db2.gz MNAMNHJBNYBDIR-WFASDCNBSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825211414 607907133 /nfs/dbraw/zinc/90/71/33/607907133.db2.gz MNAMNHJBNYBDIR-WFASDCNBSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825213482 607907150 /nfs/dbraw/zinc/90/71/50/607907150.db2.gz YZNZCPAJRFFHIW-GOEBONIOSA-N -1 3 392.485 0.933 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825213482 607907151 /nfs/dbraw/zinc/90/71/51/607907151.db2.gz YZNZCPAJRFFHIW-GOEBONIOSA-N -1 3 392.485 0.933 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825210313 607907163 /nfs/dbraw/zinc/90/71/63/607907163.db2.gz GLKPULCBCVNMAZ-OCCSQVGLSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825210313 607907164 /nfs/dbraw/zinc/90/71/64/607907164.db2.gz GLKPULCBCVNMAZ-OCCSQVGLSA-N -1 3 378.458 0.792 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826363930 607907371 /nfs/dbraw/zinc/90/73/71/607907371.db2.gz GFAZVCSTMFTZPK-LLVKDONJSA-N -1 3 377.405 0.918 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826363930 607907372 /nfs/dbraw/zinc/90/73/72/607907372.db2.gz GFAZVCSTMFTZPK-LLVKDONJSA-N -1 3 377.405 0.918 20 0 GCADHM COc1ccc(CNC(=O)NCCCNC(=O)C(C)C)cc1-c1nnn[n-]1 ZINC000826200044 607911943 /nfs/dbraw/zinc/91/19/43/607911943.db2.gz WOIDDMXXKDYLIV-UHFFFAOYSA-N -1 3 375.433 0.837 20 0 GCADHM COc1ccc(CNC(=O)NCCCNC(=O)C(C)C)cc1-c1nn[n-]n1 ZINC000826200044 607911944 /nfs/dbraw/zinc/91/19/44/607911944.db2.gz WOIDDMXXKDYLIV-UHFFFAOYSA-N -1 3 375.433 0.837 20 0 GCADHM CCn1nc(C(=O)OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)ccc1=O ZINC000825806752 607914420 /nfs/dbraw/zinc/91/44/20/607914420.db2.gz CDXBMWMNMRTSBA-UHFFFAOYSA-N -1 3 384.352 0.587 20 0 GCADHM CCn1nc(C(=O)OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)ccc1=O ZINC000825806752 607914421 /nfs/dbraw/zinc/91/44/21/607914421.db2.gz CDXBMWMNMRTSBA-UHFFFAOYSA-N -1 3 384.352 0.587 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823982309 607914748 /nfs/dbraw/zinc/91/47/48/607914748.db2.gz ZPJUCTUJLWXLHL-HNNXBMFYSA-N -1 3 386.412 0.427 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823982309 607914749 /nfs/dbraw/zinc/91/47/49/607914749.db2.gz ZPJUCTUJLWXLHL-HNNXBMFYSA-N -1 3 386.412 0.427 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823982310 607914947 /nfs/dbraw/zinc/91/49/47/607914947.db2.gz ZPJUCTUJLWXLHL-OAHLLOKOSA-N -1 3 386.412 0.427 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823982310 607914948 /nfs/dbraw/zinc/91/49/48/607914948.db2.gz ZPJUCTUJLWXLHL-OAHLLOKOSA-N -1 3 386.412 0.427 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H]1CCSC1 ZINC000824640369 607918620 /nfs/dbraw/zinc/91/86/20/607918620.db2.gz HJBYGWBQEDECDQ-ZYHUDNBSSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H]1CCSC1 ZINC000824640369 607918621 /nfs/dbraw/zinc/91/86/21/607918621.db2.gz HJBYGWBQEDECDQ-ZYHUDNBSSA-N -1 3 396.498 0.497 20 0 GCADHM CS(=O)(=O)CC1(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000826222193 607926698 /nfs/dbraw/zinc/92/66/98/607926698.db2.gz NGVRZHZXJKNFIQ-UHFFFAOYSA-N -1 3 394.453 0.794 20 0 GCADHM CS(=O)(=O)CC1(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000826222193 607926699 /nfs/dbraw/zinc/92/66/99/607926699.db2.gz NGVRZHZXJKNFIQ-UHFFFAOYSA-N -1 3 394.453 0.794 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826160014 607927487 /nfs/dbraw/zinc/92/74/87/607927487.db2.gz BOHGDEROCSUMEB-HNNXBMFYSA-N -1 3 389.460 0.843 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826160014 607927488 /nfs/dbraw/zinc/92/74/88/607927488.db2.gz BOHGDEROCSUMEB-HNNXBMFYSA-N -1 3 389.460 0.843 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CCC1 ZINC000824471054 607928566 /nfs/dbraw/zinc/92/85/66/607928566.db2.gz NUFAMYZZPUJAPJ-NSHDSACASA-N -1 3 395.427 0.750 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CCC1 ZINC000824471054 607928567 /nfs/dbraw/zinc/92/85/67/607928567.db2.gz NUFAMYZZPUJAPJ-NSHDSACASA-N -1 3 395.427 0.750 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825213410 607929276 /nfs/dbraw/zinc/92/92/76/607929276.db2.gz XNLZWEQWIQUCDZ-BBRMVZONSA-N -1 3 399.455 0.360 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825213410 607929277 /nfs/dbraw/zinc/92/92/77/607929277.db2.gz XNLZWEQWIQUCDZ-BBRMVZONSA-N -1 3 399.455 0.360 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000826277412 607929774 /nfs/dbraw/zinc/92/97/74/607929774.db2.gz TUGYCAKMCCCUAP-CYBMUJFWSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000826277412 607929775 /nfs/dbraw/zinc/92/97/75/607929775.db2.gz TUGYCAKMCCCUAP-CYBMUJFWSA-N -1 3 380.412 0.863 20 0 GCADHM C[C@]1(c2cccnc2)NC(=O)N(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824852298 607930374 /nfs/dbraw/zinc/93/03/74/607930374.db2.gz JVQNSTHJPHPPDW-RDTXWAMCSA-N -1 3 379.380 0.762 20 0 GCADHM C[C@]1(c2cccnc2)NC(=O)N(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824852298 607930375 /nfs/dbraw/zinc/93/03/75/607930375.db2.gz JVQNSTHJPHPPDW-RDTXWAMCSA-N -1 3 379.380 0.762 20 0 GCADHM O=C([C@@H]1CCc2n[nH]cc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826398807 607931549 /nfs/dbraw/zinc/93/15/49/607931549.db2.gz GLRGCCIUAISRNA-GFCCVEGCSA-N -1 3 379.428 0.439 20 0 GCADHM O=C([C@@H]1CCc2n[nH]cc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826398807 607931550 /nfs/dbraw/zinc/93/15/50/607931550.db2.gz GLRGCCIUAISRNA-GFCCVEGCSA-N -1 3 379.428 0.439 20 0 GCADHM 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607951318 /nfs/dbraw/zinc/95/13/18/607951318.db2.gz DZJNLJLNGKJMMN-UHFFFAOYSA-N -1 3 383.412 0.866 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC000825663240 607951677 /nfs/dbraw/zinc/95/16/77/607951677.db2.gz KFFKJKSWVXWYSK-UHFFFAOYSA-N -1 3 390.469 0.818 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC000825663240 607951678 /nfs/dbraw/zinc/95/16/78/607951678.db2.gz KFFKJKSWVXWYSK-UHFFFAOYSA-N -1 3 390.469 0.818 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000824640644 607956510 /nfs/dbraw/zinc/95/65/10/607956510.db2.gz MVRPZRQYQYFPDP-NXEZZACHSA-N -1 3 390.429 0.134 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000824640644 607956511 /nfs/dbraw/zinc/95/65/11/607956511.db2.gz MVRPZRQYQYFPDP-NXEZZACHSA-N -1 3 390.429 0.134 20 0 GCADHM CS(=O)(=O)CC1(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)CC1 ZINC000826222033 607958610 /nfs/dbraw/zinc/95/86/10/607958610.db2.gz 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/nfs/dbraw/zinc/97/11/97/607971197.db2.gz CLFKBHLPPMEJJS-UHFFFAOYSA-N -1 3 383.416 0.070 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCSC1 ZINC000826124093 607973373 /nfs/dbraw/zinc/97/33/73/607973373.db2.gz OCCHMUNXSKBDEH-CYBMUJFWSA-N -1 3 387.418 0.333 20 0 GCADHM CN1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@H]1c1ccccc1 ZINC000826028619 607973411 /nfs/dbraw/zinc/97/34/11/607973411.db2.gz DMVWQVMTEVYKGB-GOEBONIOSA-N -1 3 385.453 0.985 20 0 GCADHM CN1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@H]1c1ccccc1 ZINC000826028619 607973412 /nfs/dbraw/zinc/97/34/12/607973412.db2.gz DMVWQVMTEVYKGB-GOEBONIOSA-N -1 3 385.453 0.985 20 0 GCADHM CN([C@H]1CCNC1=O)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825887410 607975966 /nfs/dbraw/zinc/97/59/66/607975966.db2.gz GLTLPXYEJMGUQT-VIFPVBQESA-N -1 3 390.347 0.395 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000826357539 607976724 /nfs/dbraw/zinc/97/67/24/607976724.db2.gz JBBRBQRWJXCDGH-AWEZNQCLSA-N -1 3 379.424 0.984 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000826357539 607976725 /nfs/dbraw/zinc/97/67/25/607976725.db2.gz JBBRBQRWJXCDGH-AWEZNQCLSA-N -1 3 379.424 0.984 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825799476 607980299 /nfs/dbraw/zinc/98/02/99/607980299.db2.gz LZPPQVGXYISXAC-JTQLQIEISA-N -1 3 383.368 0.836 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825799476 607980300 /nfs/dbraw/zinc/98/03/00/607980300.db2.gz LZPPQVGXYISXAC-JTQLQIEISA-N -1 3 383.368 0.836 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000825799482 607980491 /nfs/dbraw/zinc/98/04/91/607980491.db2.gz MHDZRKPFBAEBQC-AWEZNQCLSA-N -1 3 395.379 0.615 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000825799482 607980492 /nfs/dbraw/zinc/98/04/92/607980492.db2.gz MHDZRKPFBAEBQC-AWEZNQCLSA-N -1 3 395.379 0.615 20 0 GCADHM Cn1ncc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1C(F)F ZINC000826366065 607981293 /nfs/dbraw/zinc/98/12/93/607981293.db2.gz RBAUGGWHTJZTLP-UHFFFAOYSA-N -1 3 376.327 0.793 20 0 GCADHM Cn1ncc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1C(F)F ZINC000826366065 607981294 /nfs/dbraw/zinc/98/12/94/607981294.db2.gz RBAUGGWHTJZTLP-UHFFFAOYSA-N -1 3 376.327 0.793 20 0 GCADHM Cc1c(CNC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cnn1C ZINC000826236368 607981336 /nfs/dbraw/zinc/98/13/36/607981336.db2.gz JGVBRSYJRVMMLU-UHFFFAOYSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1c(CNC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cnn1C ZINC000826236368 607981337 /nfs/dbraw/zinc/98/13/37/607981337.db2.gz JGVBRSYJRVMMLU-UHFFFAOYSA-N -1 3 381.444 0.940 20 0 GCADHM C[C@@H](Oc1cccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000824745094 607981688 /nfs/dbraw/zinc/98/16/88/607981688.db2.gz MCYAOTDXTXEDMO-OCCSQVGLSA-N -1 3 399.407 0.938 20 0 GCADHM CCc1onc(C)c1NC(=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825775956 607981822 /nfs/dbraw/zinc/98/18/22/607981822.db2.gz ANMVBKBFCPGVKD-UHFFFAOYSA-N -1 3 385.384 0.859 20 0 GCADHM Cc1c(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cnn1C ZINC000826236234 607982000 /nfs/dbraw/zinc/98/20/00/607982000.db2.gz DHJNCOOTBLJRBQ-UHFFFAOYSA-N -1 3 398.427 0.951 20 0 GCADHM Cc1c(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cnn1C ZINC000826236234 607982001 /nfs/dbraw/zinc/98/20/01/607982001.db2.gz DHJNCOOTBLJRBQ-UHFFFAOYSA-N -1 3 398.427 0.951 20 0 GCADHM COCC(=O)N(C)CC(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826147556 607985350 /nfs/dbraw/zinc/98/53/50/607985350.db2.gz BJUNETSMLWDKQW-UHFFFAOYSA-N -1 3 398.427 0.713 20 0 GCADHM COc1ccc(S(=O)(=O)N2CC(Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1 ZINC000826211418 607987287 /nfs/dbraw/zinc/98/72/87/607987287.db2.gz BXSKFQZWWWTUTM-UHFFFAOYSA-N -1 3 387.425 0.755 20 0 GCADHM COc1ccc(S(=O)(=O)N2CC(Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1 ZINC000826211418 607987288 /nfs/dbraw/zinc/98/72/88/607987288.db2.gz BXSKFQZWWWTUTM-UHFFFAOYSA-N -1 3 387.425 0.755 20 0 GCADHM COCC1(O)CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000826153595 607991179 /nfs/dbraw/zinc/99/11/79/607991179.db2.gz UHNQYFCQYHCQFR-GFCCVEGCSA-N -1 3 378.458 0.507 20 0 GCADHM COCC1(O)CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000826153595 607991180 /nfs/dbraw/zinc/99/11/80/607991180.db2.gz UHNQYFCQYHCQFR-GFCCVEGCSA-N -1 3 378.458 0.507 20 0 GCADHM CN1C(=O)CCc2cc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)ccc21 ZINC000826010095 607991201 /nfs/dbraw/zinc/99/12/01/607991201.db2.gz CJIBIGJBYULORH-UHFFFAOYSA-N -1 3 382.384 0.411 20 0 GCADHM CN1C(=O)CCc2cc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)ccc21 ZINC000826010095 607991202 /nfs/dbraw/zinc/99/12/02/607991202.db2.gz CJIBIGJBYULORH-UHFFFAOYSA-N -1 3 382.384 0.411 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825663787 607991667 /nfs/dbraw/zinc/99/16/67/607991667.db2.gz WBYYSFUURIVVCY-SNVBAGLBSA-N -1 3 384.462 0.770 20 0 GCADHM NC(=O)[C@H]1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000826390298 607993889 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0.911 20 0 GCADHM CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826227126 608000986 /nfs/dbraw/zinc/00/09/86/608000986.db2.gz MEHSGTNVKUBWEN-XVKPBYJWSA-N -1 3 377.879 0.911 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000826279422 608001136 /nfs/dbraw/zinc/00/11/36/608001136.db2.gz PKMLWPTXEJYIGA-AWEZNQCLSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000826279422 608001137 /nfs/dbraw/zinc/00/11/37/608001137.db2.gz PKMLWPTXEJYIGA-AWEZNQCLSA-N -1 3 378.458 0.270 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCSC[C@@H]1CCO ZINC000826494193 608001184 /nfs/dbraw/zinc/00/11/84/608001184.db2.gz RVPDVBGCMXWIIO-VIFPVBQESA-N -1 3 391.425 0.633 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCSC[C@@H]1CCO ZINC000826494193 608001185 /nfs/dbraw/zinc/00/11/85/608001185.db2.gz RVPDVBGCMXWIIO-VIFPVBQESA-N -1 3 391.425 0.633 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825839058 608001553 /nfs/dbraw/zinc/00/15/53/608001553.db2.gz FGRYJCLBPOYZGP-CYBMUJFWSA-N -1 3 382.421 0.388 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825839058 608001554 /nfs/dbraw/zinc/00/15/54/608001554.db2.gz FGRYJCLBPOYZGP-CYBMUJFWSA-N -1 3 382.421 0.388 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826398534 608002020 /nfs/dbraw/zinc/00/20/20/608002020.db2.gz YXFWILGTMVOMML-UHFFFAOYSA-N -1 3 394.432 0.390 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826398534 608002021 /nfs/dbraw/zinc/00/20/21/608002021.db2.gz YXFWILGTMVOMML-UHFFFAOYSA-N -1 3 394.432 0.390 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824908927 608002064 /nfs/dbraw/zinc/00/20/64/608002064.db2.gz ROXMNYFPSURPAP-MWLCHTKSSA-N -1 3 382.421 0.421 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824908927 608002065 /nfs/dbraw/zinc/00/20/65/608002065.db2.gz ROXMNYFPSURPAP-MWLCHTKSSA-N -1 3 382.421 0.421 20 0 GCADHM C[C@@H](OC(=O)C(C)(CO)CO)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824705717 608002858 /nfs/dbraw/zinc/00/28/58/608002858.db2.gz CNBUXNOOBYFUKL-MRVPVSSYSA-N -1 3 383.792 0.381 20 0 GCADHM C[C@@H](OC(=O)C(C)(CO)CO)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824705717 608002859 /nfs/dbraw/zinc/00/28/59/608002859.db2.gz CNBUXNOOBYFUKL-MRVPVSSYSA-N -1 3 383.792 0.381 20 0 GCADHM C[C@H](C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)N1CCSCC1 ZINC000824053404 608002937 /nfs/dbraw/zinc/00/29/37/608002937.db2.gz XZSLISFJLXKHPN-SECBINFHSA-N -1 3 382.471 0.847 20 0 GCADHM C[C@H](C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)N1CCSCC1 ZINC000824053404 608002938 /nfs/dbraw/zinc/00/29/38/608002938.db2.gz XZSLISFJLXKHPN-SECBINFHSA-N -1 3 382.471 0.847 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000825492368 608006934 /nfs/dbraw/zinc/00/69/34/608006934.db2.gz FFJQDMKTCGMFHB-INIZCTEOSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000825492368 608006935 /nfs/dbraw/zinc/00/69/35/608006935.db2.gz FFJQDMKTCGMFHB-INIZCTEOSA-N -1 3 389.412 0.720 20 0 GCADHM COC(=O)[C@@]1(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCSC1 ZINC000826124853 608006956 /nfs/dbraw/zinc/00/69/56/608006956.db2.gz XIJORGKWUSDEOL-MGPLVRAMSA-N -1 3 377.426 0.799 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)Oc1ccc(F)cc1 ZINC000826102969 608007167 /nfs/dbraw/zinc/00/71/67/608007167.db2.gz BICUQBVZFWRGJN-CQSZACIVSA-N -1 3 386.343 0.751 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)Oc1ccc(F)cc1 ZINC000826102969 608007168 /nfs/dbraw/zinc/00/71/68/608007168.db2.gz BICUQBVZFWRGJN-CQSZACIVSA-N -1 3 386.343 0.751 20 0 GCADHM COCC1(O)CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826152688 608007993 /nfs/dbraw/zinc/00/79/93/608007993.db2.gz JUFJGZHZTNBRAD-MRXNPFEDSA-N -1 3 386.456 0.835 20 0 GCADHM COC[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(N)=O ZINC000826150516 608009485 /nfs/dbraw/zinc/00/94/85/608009485.db2.gz GLKZJDAGNPLVJQ-CYBMUJFWSA-N -1 3 383.368 0.284 20 0 GCADHM COC[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(N)=O ZINC000826150516 608009486 /nfs/dbraw/zinc/00/94/86/608009486.db2.gz GLKZJDAGNPLVJQ-CYBMUJFWSA-N -1 3 383.368 0.284 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1c2ccccc2C[C@H]1O ZINC000823005553 608011858 /nfs/dbraw/zinc/01/18/58/608011858.db2.gz WGHONYWCTQYWES-WBVHZDCISA-N -1 3 378.392 0.371 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1c2ccccc2C[C@H]1O ZINC000823005553 608011859 /nfs/dbraw/zinc/01/18/59/608011859.db2.gz WGHONYWCTQYWES-WBVHZDCISA-N -1 3 378.392 0.371 20 0 GCADHM O=C(CO)N1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000826414996 608015697 /nfs/dbraw/zinc/01/56/97/608015697.db2.gz OBNJQDMATPDNBH-UHFFFAOYSA-N -1 3 392.419 0.810 20 0 GCADHM O=C(CO)N1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000826414996 608015698 /nfs/dbraw/zinc/01/56/98/608015698.db2.gz OBNJQDMATPDNBH-UHFFFAOYSA-N -1 3 392.419 0.810 20 0 GCADHM CCCCS(=O)(=O)NCC(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000825296861 608030346 /nfs/dbraw/zinc/03/03/46/608030346.db2.gz YJHJPOHMPLFDFP-UHFFFAOYSA-N -1 3 383.430 0.638 20 0 GCADHM O=S1(=O)CC[C@H](CCN2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000826496077 608033300 /nfs/dbraw/zinc/03/33/00/608033300.db2.gz KHKDRYKYEWOTKQ-AWEZNQCLSA-N -1 3 376.486 0.814 20 0 GCADHM O=S1(=O)CC[C@H](CCN2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000826496077 608033301 /nfs/dbraw/zinc/03/33/01/608033301.db2.gz KHKDRYKYEWOTKQ-AWEZNQCLSA-N -1 3 376.486 0.814 20 0 GCADHM Cc1cncc(CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826319109 608038136 /nfs/dbraw/zinc/03/81/36/608038136.db2.gz OQIJEMLFNYKYGN-UHFFFAOYSA-N -1 3 386.437 0.801 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000824640176 608038576 /nfs/dbraw/zinc/03/85/76/608038576.db2.gz CDTMBURJBWWKFB-GHMZBOCLSA-N -1 3 389.441 0.739 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000824640176 608038577 /nfs/dbraw/zinc/03/85/77/608038577.db2.gz CDTMBURJBWWKFB-GHMZBOCLSA-N -1 3 389.441 0.739 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(F)(F)F ZINC000824670391 608038597 /nfs/dbraw/zinc/03/85/97/608038597.db2.gz NSKXKJDDASKALB-GFCCVEGCSA-N -1 3 392.725 0.888 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(F)(F)F ZINC000824670391 608038598 /nfs/dbraw/zinc/03/85/98/608038598.db2.gz NSKXKJDDASKALB-GFCCVEGCSA-N -1 3 392.725 0.888 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)C(F)(F)F ZINC000824669276 608038679 /nfs/dbraw/zinc/03/86/79/608038679.db2.gz BXMTVFDNNSCIBL-LBPRGKRZSA-N -1 3 392.725 0.888 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)C(F)(F)F ZINC000824669276 608038680 /nfs/dbraw/zinc/03/86/80/608038680.db2.gz BXMTVFDNNSCIBL-LBPRGKRZSA-N -1 3 392.725 0.888 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000826395920 608039819 /nfs/dbraw/zinc/03/98/19/608039819.db2.gz YLHLFXVMRQOKGQ-SECBINFHSA-N -1 3 376.402 0.810 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cnc([C@H]2CCCO2)s1 ZINC000826395920 608039820 /nfs/dbraw/zinc/03/98/20/608039820.db2.gz YLHLFXVMRQOKGQ-SECBINFHSA-N -1 3 376.402 0.810 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000825498808 608040302 /nfs/dbraw/zinc/04/03/02/608040302.db2.gz CTGYYOLZVLSBGZ-NSHDSACASA-N -1 3 377.401 0.960 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000825498808 608040303 /nfs/dbraw/zinc/04/03/03/608040303.db2.gz CTGYYOLZVLSBGZ-NSHDSACASA-N -1 3 377.401 0.960 20 0 GCADHM CN1CC[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000826029976 608041345 /nfs/dbraw/zinc/04/13/45/608041345.db2.gz ZAOQBNRELBNMRZ-GXTWGEPZSA-N -1 3 387.835 0.673 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000824045595 608043067 /nfs/dbraw/zinc/04/30/67/608043067.db2.gz MXQATUBXNQTPRP-NSHDSACASA-N -1 3 398.427 0.210 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000824045595 608043068 /nfs/dbraw/zinc/04/30/68/608043068.db2.gz MXQATUBXNQTPRP-NSHDSACASA-N -1 3 398.427 0.210 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC2(CC1)NC(=O)N(C)C2=O ZINC000824045295 608043176 /nfs/dbraw/zinc/04/31/76/608043176.db2.gz KVYMYCRUGVBPEA-LLVKDONJSA-N -1 3 398.427 0.210 20 0 GCADHM O=C(CN1CCn2c(nnc2C(F)F)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826411860 608043892 /nfs/dbraw/zinc/04/38/92/608043892.db2.gz QLMOCUIMQVAYFG-UHFFFAOYSA-N -1 3 389.370 0.528 20 0 GCADHM O=C(CN1CCn2c(nnc2C(F)F)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826411860 608043893 /nfs/dbraw/zinc/04/38/93/608043893.db2.gz QLMOCUIMQVAYFG-UHFFFAOYSA-N -1 3 389.370 0.528 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000826388605 608044639 /nfs/dbraw/zinc/04/46/39/608044639.db2.gz FFMLFFBYXOUCBM-CXAGYDPISA-N -1 3 386.456 0.911 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000826388608 608044704 /nfs/dbraw/zinc/04/47/04/608044704.db2.gz FFMLFFBYXOUCBM-SUMWQHHRSA-N -1 3 386.456 0.911 20 0 GCADHM Cc1nc2ccnn2c(C)c1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826329038 608046784 /nfs/dbraw/zinc/04/67/84/608046784.db2.gz NZJKHLRAKHVBTP-UHFFFAOYSA-N -1 3 378.400 0.763 20 0 GCADHM Cc1nc2ccnn2c(C)c1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826329038 608046785 /nfs/dbraw/zinc/04/67/85/608046785.db2.gz NZJKHLRAKHVBTP-UHFFFAOYSA-N -1 3 378.400 0.763 20 0 GCADHM c1ncn(-c2cncc(N3CCO[C@@H](c4cccc(-c5nnn[n-]5)c4)C3)n2)n1 ZINC000826513784 608052795 /nfs/dbraw/zinc/05/27/95/608052795.db2.gz WAARGPKWPONATO-CQSZACIVSA-N -1 3 376.384 0.815 20 0 GCADHM c1ncn(-c2cncc(N3CCO[C@@H](c4cccc(-c5nn[n-]n5)c4)C3)n2)n1 ZINC000826513784 608052796 /nfs/dbraw/zinc/05/27/96/608052796.db2.gz WAARGPKWPONATO-CQSZACIVSA-N -1 3 376.384 0.815 20 0 GCADHM c1ncn(-c2cncc(N3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)n2)n1 ZINC000826513783 608052825 /nfs/dbraw/zinc/05/28/25/608052825.db2.gz WAARGPKWPONATO-AWEZNQCLSA-N -1 3 376.384 0.815 20 0 GCADHM c1ncn(-c2cncc(N3CCO[C@H](c4cccc(-c5nn[n-]n5)c4)C3)n2)n1 ZINC000826513783 608052826 /nfs/dbraw/zinc/05/28/26/608052826.db2.gz WAARGPKWPONATO-AWEZNQCLSA-N -1 3 376.384 0.815 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000826362223 608055852 /nfs/dbraw/zinc/05/58/52/608055852.db2.gz IZSAPAZLXHVPTG-AWEZNQCLSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000826362223 608055853 /nfs/dbraw/zinc/05/58/53/608055853.db2.gz IZSAPAZLXHVPTG-AWEZNQCLSA-N -1 3 375.414 0.362 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824315656 608056010 /nfs/dbraw/zinc/05/60/10/608056010.db2.gz SEKYANDQTDEOEG-OAHLLOKOSA-N -1 3 381.458 0.995 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824315656 608056011 /nfs/dbraw/zinc/05/60/11/608056011.db2.gz SEKYANDQTDEOEG-OAHLLOKOSA-N -1 3 381.458 0.995 20 0 GCADHM Cc1n[nH]cc1S(=O)(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826233915 608056503 /nfs/dbraw/zinc/05/65/03/608056503.db2.gz 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CN1CCC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000826028479 608064675 /nfs/dbraw/zinc/06/46/75/608064675.db2.gz AYFQBLAPFGPQTC-HUUCEWRRSA-N -1 3 385.428 0.570 20 0 GCADHM NC(=O)c1cc(CNC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)on1 ZINC000826393052 608065930 /nfs/dbraw/zinc/06/59/30/608065930.db2.gz ZNVPBAHJMKYDBX-CQSZACIVSA-N -1 3 398.383 0.237 20 0 GCADHM NC(=O)c1cc(CNC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)on1 ZINC000826393052 608065931 /nfs/dbraw/zinc/06/59/31/608065931.db2.gz ZNVPBAHJMKYDBX-CQSZACIVSA-N -1 3 398.383 0.237 20 0 GCADHM C[C@H](CNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC000824419797 608066043 /nfs/dbraw/zinc/06/60/43/608066043.db2.gz BRHNIVGQOKLMOU-BXUZGUMPSA-N -1 3 394.457 0.383 20 0 GCADHM C[C@H](CNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC000824419797 608066044 /nfs/dbraw/zinc/06/60/44/608066044.db2.gz BRHNIVGQOKLMOU-BXUZGUMPSA-N -1 3 394.457 0.383 20 0 GCADHM C[C@@H](CNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC000824419798 608066106 /nfs/dbraw/zinc/06/61/06/608066106.db2.gz BRHNIVGQOKLMOU-FZMZJTMJSA-N -1 3 394.457 0.383 20 0 GCADHM C[C@@H](CNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC000824419798 608066107 /nfs/dbraw/zinc/06/61/07/608066107.db2.gz BRHNIVGQOKLMOU-FZMZJTMJSA-N -1 3 394.457 0.383 20 0 GCADHM CCOC(=O)CN(C)C(=O)CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825511865 608068219 /nfs/dbraw/zinc/06/82/19/608068219.db2.gz IORJCFCHOCPRPN-HNNXBMFYSA-N -1 3 388.428 0.262 20 0 GCADHM CCOC(=O)CN(C)C(=O)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825511865 608068220 /nfs/dbraw/zinc/06/82/20/608068220.db2.gz IORJCFCHOCPRPN-HNNXBMFYSA-N -1 3 388.428 0.262 20 0 GCADHM CN(C)S(=O)(=O)CCCN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825875551 608068229 /nfs/dbraw/zinc/06/82/29/608068229.db2.gz SRVNKCVSHYSZHE-OAHLLOKOSA-N -1 3 380.474 0.522 20 0 GCADHM CN(C)S(=O)(=O)CCCN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825875551 608068230 /nfs/dbraw/zinc/06/82/30/608068230.db2.gz SRVNKCVSHYSZHE-OAHLLOKOSA-N -1 3 380.474 0.522 20 0 GCADHM CC[C@H](CO)NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825119531 608072227 /nfs/dbraw/zinc/07/22/27/608072227.db2.gz DPZHNXPMMSFGGL-CYBMUJFWSA-N -1 3 398.427 0.495 20 0 GCADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)N[C@H](C)CO)c1C ZINC000826331382 608073317 /nfs/dbraw/zinc/07/33/17/608073317.db2.gz FWFKCTZOSZPNSX-SECBINFHSA-N -1 3 384.400 0.105 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826363552 608075075 /nfs/dbraw/zinc/07/50/75/608075075.db2.gz RXEBLBLAVZRTAA-CYBMUJFWSA-N -1 3 382.384 0.139 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826363552 608075076 /nfs/dbraw/zinc/07/50/76/608075076.db2.gz RXEBLBLAVZRTAA-CYBMUJFWSA-N -1 3 382.384 0.139 20 0 GCADHM O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826432425 608075090 /nfs/dbraw/zinc/07/50/90/608075090.db2.gz AIIUSVCIKYPLQN-WMZOPIPTSA-N -1 3 393.451 0.875 20 0 GCADHM O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826398495 608082290 /nfs/dbraw/zinc/08/22/90/608082290.db2.gz YATFQCGTVMQCIA-GDBMZVCRSA-N -1 3 382.424 0.778 20 0 GCADHM O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826398495 608082291 /nfs/dbraw/zinc/08/22/91/608082291.db2.gz YATFQCGTVMQCIA-GDBMZVCRSA-N -1 3 382.424 0.778 20 0 GCADHM O=C(CN1C[C@H](O)C[C@H]1CO)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826409956 608089093 /nfs/dbraw/zinc/08/90/93/608089093.db2.gz VWARULLJBHDHSF-WDEREUQCSA-N -1 3 392.485 0.563 20 0 GCADHM O=C(CN1C[C@H](O)C[C@H]1CO)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826409956 608089095 /nfs/dbraw/zinc/08/90/95/608089095.db2.gz VWARULLJBHDHSF-WDEREUQCSA-N -1 3 392.485 0.563 20 0 GCADHM NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000826391769 608089729 /nfs/dbraw/zinc/08/97/29/608089729.db2.gz BAQYYQILCWPBSH-HUUCEWRRSA-N -1 3 385.428 0.557 20 0 GCADHM NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000826391769 608089730 /nfs/dbraw/zinc/08/97/30/608089730.db2.gz BAQYYQILCWPBSH-HUUCEWRRSA-N -1 3 385.428 0.557 20 0 GCADHM COc1ncnc(OC)c1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826222039 608089794 /nfs/dbraw/zinc/08/97/94/608089794.db2.gz FLNMACZPNDUVKD-ZDUSSCGKSA-N -1 3 397.395 0.888 20 0 GCADHM COc1ncnc(OC)c1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826222039 608089795 /nfs/dbraw/zinc/08/97/95/608089795.db2.gz FLNMACZPNDUVKD-ZDUSSCGKSA-N -1 3 397.395 0.888 20 0 GCADHM O=C(OCc1cccc(-c2nnn[n-]2)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000826466359 608089929 /nfs/dbraw/zinc/08/99/29/608089929.db2.gz YPNSRNYUZSZBEK-UHFFFAOYSA-N -1 3 386.393 0.408 20 0 GCADHM O=C(OCc1cccc(-c2nn[n-]n2)c1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000826466359 608089930 /nfs/dbraw/zinc/08/99/30/608089930.db2.gz YPNSRNYUZSZBEK-UHFFFAOYSA-N -1 3 386.393 0.408 20 0 GCADHM C[C@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824713643 608100980 /nfs/dbraw/zinc/10/09/80/608100980.db2.gz JIHTWRKVAZQSHB-WDEREUQCSA-N -1 3 387.400 0.528 20 0 GCADHM C[C@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824713643 608100981 /nfs/dbraw/zinc/10/09/81/608100981.db2.gz JIHTWRKVAZQSHB-WDEREUQCSA-N -1 3 387.400 0.528 20 0 GCADHM O=C(c1ccc2n[nH]c(=O)n2c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826473721 608102882 /nfs/dbraw/zinc/10/28/82/608102882.db2.gz KMAHDITUPPFBAQ-CQSZACIVSA-N -1 3 392.379 0.829 20 0 GCADHM O=C(c1ccc2n[nH]c(=O)n2c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473721 608102883 /nfs/dbraw/zinc/10/28/83/608102883.db2.gz KMAHDITUPPFBAQ-CQSZACIVSA-N -1 3 392.379 0.829 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000826186058 608103434 /nfs/dbraw/zinc/10/34/34/608103434.db2.gz BZHOVASNMYNDKR-UHFFFAOYSA-N -1 3 375.370 0.170 20 0 GCADHM CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000825153180 608103793 /nfs/dbraw/zinc/10/37/93/608103793.db2.gz HAPYQKLYQGAMAY-JOYOIKCWSA-N -1 3 397.413 0.028 20 0 GCADHM CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000825153180 608103794 /nfs/dbraw/zinc/10/37/94/608103794.db2.gz HAPYQKLYQGAMAY-JOYOIKCWSA-N -1 3 397.413 0.028 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cn1 ZINC000826394558 608105103 /nfs/dbraw/zinc/10/51/03/608105103.db2.gz OPMWECHLKMHLQQ-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM C[C@H]1CN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000824977868 608105475 /nfs/dbraw/zinc/10/54/75/608105475.db2.gz SNVRUEVCMGWWDU-GWCFXTLKSA-N -1 3 383.378 0.962 20 0 GCADHM C[C@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000824977868 608105476 /nfs/dbraw/zinc/10/54/76/608105476.db2.gz SNVRUEVCMGWWDU-GWCFXTLKSA-N -1 3 383.378 0.962 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCCNC(=O)NC1CCCCC1 ZINC000826418117 608107168 /nfs/dbraw/zinc/10/71/68/608107168.db2.gz RNJZJCIGAYXYOU-UHFFFAOYSA-N -1 3 387.444 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0.476 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)C[S@](C)=O ZINC000825621642 608144823 /nfs/dbraw/zinc/14/48/23/608144823.db2.gz WIALPEUGBFMFEK-MGGBDBEPSA-N -1 3 380.430 0.087 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)C[S@](C)=O ZINC000825621642 608144824 /nfs/dbraw/zinc/14/48/24/608144824.db2.gz WIALPEUGBFMFEK-MGGBDBEPSA-N -1 3 380.430 0.087 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCCN1CCOCC1=O ZINC000826406380 608147260 /nfs/dbraw/zinc/14/72/60/608147260.db2.gz UKFRMGKZOBOHNM-UHFFFAOYSA-N -1 3 389.412 0.818 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCCN1CCOCC1=O ZINC000826406380 608147261 /nfs/dbraw/zinc/14/72/61/608147261.db2.gz UKFRMGKZOBOHNM-UHFFFAOYSA-N -1 3 389.412 0.818 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826279963 608158966 /nfs/dbraw/zinc/15/89/66/608158966.db2.gz JKYSUASMKYJNIU-BBRMVZONSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826279963 608158968 /nfs/dbraw/zinc/15/89/68/608158968.db2.gz JKYSUASMKYJNIU-BBRMVZONSA-N -1 3 379.442 0.792 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826486562 608159484 /nfs/dbraw/zinc/15/94/84/608159484.db2.gz HKXOALCWNZFHGI-HOCLYGCPSA-N -1 3 379.442 0.624 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826486562 608159486 /nfs/dbraw/zinc/15/94/86/608159486.db2.gz HKXOALCWNZFHGI-HOCLYGCPSA-N -1 3 379.442 0.624 20 0 GCADHM C[C@@H]1C[C@H](CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC000824884795 608164850 /nfs/dbraw/zinc/16/48/50/608164850.db2.gz PKNCDZSWAZAIPG-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H]1C[C@H](CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC000824884795 608164852 /nfs/dbraw/zinc/16/48/52/608164852.db2.gz PKNCDZSWAZAIPG-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)COc3cccc(-c4nnn[n-]4)c3)cc2)c1=O ZINC000826365561 608164972 /nfs/dbraw/zinc/16/49/72/608164972.db2.gz SQVUIHJCUYOCJZ-UHFFFAOYSA-N -1 3 392.379 0.769 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)COc3cccc(-c4nn[n-]n4)c3)cc2)c1=O ZINC000826365561 608164973 /nfs/dbraw/zinc/16/49/73/608164973.db2.gz SQVUIHJCUYOCJZ-UHFFFAOYSA-N -1 3 392.379 0.769 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826418049 608166805 /nfs/dbraw/zinc/16/68/05/608166805.db2.gz POYNMYCUZDOLQJ-NVXWUHKLSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826418049 608166806 /nfs/dbraw/zinc/16/68/06/608166806.db2.gz POYNMYCUZDOLQJ-NVXWUHKLSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826418051 608166984 /nfs/dbraw/zinc/16/69/84/608166984.db2.gz POYNMYCUZDOLQJ-WBVHZDCISA-N -1 3 383.408 0.846 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826418051 608166985 /nfs/dbraw/zinc/16/69/85/608166985.db2.gz POYNMYCUZDOLQJ-WBVHZDCISA-N -1 3 383.408 0.846 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000826479349 608168422 /nfs/dbraw/zinc/16/84/22/608168422.db2.gz WWTFNUFVBKCNQI-GOEBONIOSA-N -1 3 399.455 0.946 20 0 GCADHM O=C(CN1CC(=O)N(Cc2ccccc2)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826410062 608168574 /nfs/dbraw/zinc/16/85/74/608168574.db2.gz ZVXLDUUHDLIUSZ-UHFFFAOYSA-N -1 3 391.435 0.785 20 0 GCADHM O=C(CN1CC(=O)N(Cc2ccccc2)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826410062 608168575 /nfs/dbraw/zinc/16/85/75/608168575.db2.gz ZVXLDUUHDLIUSZ-UHFFFAOYSA-N -1 3 391.435 0.785 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000825897467 608168712 /nfs/dbraw/zinc/16/87/12/608168712.db2.gz GGKXBCDDZMEHAU-NSHDSACASA-N -1 3 398.514 0.789 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000825897467 608168713 /nfs/dbraw/zinc/16/87/13/608168713.db2.gz GGKXBCDDZMEHAU-NSHDSACASA-N -1 3 398.514 0.789 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N(C)CC(C)(C)S(C)(=O)=O ZINC000824046819 608168759 /nfs/dbraw/zinc/16/87/59/608168759.db2.gz VRXDDUALNHOGNM-LLVKDONJSA-N -1 3 380.474 0.949 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N(C)CC(C)(C)S(C)(=O)=O ZINC000824046819 608168760 /nfs/dbraw/zinc/16/87/60/608168760.db2.gz VRXDDUALNHOGNM-LLVKDONJSA-N -1 3 380.474 0.949 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826411489 608169496 /nfs/dbraw/zinc/16/94/96/608169496.db2.gz AGLVTKTVEXJZDJ-KDOFPFPSSA-N -1 3 386.412 0.051 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826411489 608169498 /nfs/dbraw/zinc/16/94/98/608169498.db2.gz AGLVTKTVEXJZDJ-KDOFPFPSSA-N -1 3 386.412 0.051 20 0 GCADHM Cc1oc(NC(=O)CN2CCN3C(=O)OCC[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826341307 608169474 /nfs/dbraw/zinc/16/94/74/608169474.db2.gz COTBJKSIHAZJCY-LLVKDONJSA-N -1 3 375.389 0.542 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826411488 608169641 /nfs/dbraw/zinc/16/96/41/608169641.db2.gz AGLVTKTVEXJZDJ-KBXCAEBGSA-N -1 3 386.412 0.051 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826411488 608169643 /nfs/dbraw/zinc/16/96/43/608169643.db2.gz AGLVTKTVEXJZDJ-KBXCAEBGSA-N -1 3 386.412 0.051 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)OCC[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826341523 608169724 /nfs/dbraw/zinc/16/97/24/608169724.db2.gz JPGBWVJXYKDWFK-CMPLNLGQSA-N -1 3 389.416 0.930 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)OCC[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826341526 608169871 /nfs/dbraw/zinc/16/98/71/608169871.db2.gz JPGBWVJXYKDWFK-ZYHUDNBSSA-N -1 3 389.416 0.930 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000826173946 608172565 /nfs/dbraw/zinc/17/25/65/608172565.db2.gz CCLVTEDISZQGOM-UHFFFAOYSA-N -1 3 397.457 0.536 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000826173946 608172566 /nfs/dbraw/zinc/17/25/66/608172566.db2.gz CCLVTEDISZQGOM-UHFFFAOYSA-N -1 3 397.457 0.536 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@H](CO)c1c(F)cccc1F ZINC000826413852 608174464 /nfs/dbraw/zinc/17/44/64/608174464.db2.gz UTQWXAGRKVGNMB-GFCCVEGCSA-N -1 3 375.339 0.802 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@H](CO)c1c(F)cccc1F ZINC000826413852 608174467 /nfs/dbraw/zinc/17/44/67/608174467.db2.gz UTQWXAGRKVGNMB-GFCCVEGCSA-N -1 3 375.339 0.802 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C(C)(C)S(C)(=O)=O ZINC000825788026 608175655 /nfs/dbraw/zinc/17/56/55/608175655.db2.gz NKZJXINHOIKHQX-UHFFFAOYSA-N -1 3 377.430 0.998 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C(C)(C)S(C)(=O)=O ZINC000825788026 608175656 /nfs/dbraw/zinc/17/56/56/608175656.db2.gz NKZJXINHOIKHQX-UHFFFAOYSA-N -1 3 377.430 0.998 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@H]1CC(=O)N(C)C1 ZINC000826175955 608187002 /nfs/dbraw/zinc/18/70/02/608187002.db2.gz VXIQSXFTDWPIGH-LBPRGKRZSA-N -1 3 375.385 0.808 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@H]1CC(=O)N(C)C1 ZINC000826175955 608187003 /nfs/dbraw/zinc/18/70/03/608187003.db2.gz VXIQSXFTDWPIGH-LBPRGKRZSA-N -1 3 375.385 0.808 20 0 GCADHM Cn1cccc(C(=O)NCc2ncc(-c3cccc(-c4nn[n-]n4)c3)[nH]2)c1=O ZINC000826363321 608190387 /nfs/dbraw/zinc/19/03/87/608190387.db2.gz HMYXQVYROOVSAR-UHFFFAOYSA-N -1 3 376.380 0.886 20 0 GCADHM NC(=O)c1cc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c[nH]1 ZINC000826392861 608192073 /nfs/dbraw/zinc/19/20/73/608192073.db2.gz PWBDGZYVBJPSBD-UHFFFAOYSA-N -1 3 377.368 0.614 20 0 GCADHM NC(=O)c1cc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c[nH]1 ZINC000826392861 608192075 /nfs/dbraw/zinc/19/20/75/608192075.db2.gz PWBDGZYVBJPSBD-UHFFFAOYSA-N -1 3 377.368 0.614 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826277321 608192667 /nfs/dbraw/zinc/19/26/67/608192667.db2.gz QUYOGTFYXADKHS-ACJLOTCBSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826277321 608192668 /nfs/dbraw/zinc/19/26/68/608192668.db2.gz QUYOGTFYXADKHS-ACJLOTCBSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cccc1-c1nnn[n-]1 ZINC000826241241 608192673 /nfs/dbraw/zinc/19/26/73/608192673.db2.gz WLJKKCMVHDRGHL-XIKOKIGWSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cccc1-c1nn[n-]n1 ZINC000826241241 608192674 /nfs/dbraw/zinc/19/26/74/608192674.db2.gz WLJKKCMVHDRGHL-XIKOKIGWSA-N -1 3 386.412 0.568 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)C1 ZINC000825476488 608196935 /nfs/dbraw/zinc/19/69/35/608196935.db2.gz LOLJAVDQRUMVJI-SNVBAGLBSA-N -1 3 380.478 0.300 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC)c(CC)c2-c2nn[n-]n2)C1 ZINC000825476488 608196937 /nfs/dbraw/zinc/19/69/37/608196937.db2.gz LOLJAVDQRUMVJI-SNVBAGLBSA-N -1 3 380.478 0.300 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](O)Cc1ccccc1 ZINC000824477930 608198133 /nfs/dbraw/zinc/19/81/33/608198133.db2.gz CYBUTKSSKHIZJO-SUMWQHHRSA-N -1 3 394.435 0.705 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](O)Cc1ccccc1 ZINC000824477930 608198135 /nfs/dbraw/zinc/19/81/35/608198135.db2.gz CYBUTKSSKHIZJO-SUMWQHHRSA-N -1 3 394.435 0.705 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@]1(C)CCOC1 ZINC000824641366 608199470 /nfs/dbraw/zinc/19/94/70/608199470.db2.gz VCAQQAWTFOISEP-BDJLRTHQSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@]1(C)CCOC1 ZINC000824641366 608199472 /nfs/dbraw/zinc/19/94/72/608199472.db2.gz VCAQQAWTFOISEP-BDJLRTHQSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000824860808 608202801 /nfs/dbraw/zinc/20/28/01/608202801.db2.gz XXCCOFVWZLYIEL-NWDGAFQWSA-N -1 3 381.444 0.799 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826437979 608203575 /nfs/dbraw/zinc/20/35/75/608203575.db2.gz IVFRBGRJISJETE-CXAGYDPISA-N -1 3 388.432 0.311 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826437979 608203577 /nfs/dbraw/zinc/20/35/77/608203577.db2.gz IVFRBGRJISJETE-CXAGYDPISA-N -1 3 388.432 0.311 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826438157 608203581 /nfs/dbraw/zinc/20/35/81/608203581.db2.gz PLXVGPQELGJSGE-SJKOYZFVSA-N -1 3 388.432 0.311 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826438157 608203583 /nfs/dbraw/zinc/20/35/83/608203583.db2.gz PLXVGPQELGJSGE-SJKOYZFVSA-N -1 3 388.432 0.311 20 0 GCADHM CC(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)nc1C ZINC000824025223 608207831 /nfs/dbraw/zinc/20/78/31/608207831.db2.gz XJSFTNNDIHKHND-UHFFFAOYSA-N -1 3 393.407 0.819 20 0 GCADHM CC(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)nc1C ZINC000824025223 608207832 /nfs/dbraw/zinc/20/78/32/608207832.db2.gz XJSFTNNDIHKHND-UHFFFAOYSA-N -1 3 393.407 0.819 20 0 GCADHM C[C@H](OC(=O)C1(O)CCSCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824715442 608208762 /nfs/dbraw/zinc/20/87/62/608208762.db2.gz SFCOASFSIZZPND-JTQLQIEISA-N -1 3 377.426 0.995 20 0 GCADHM C[C@H](OC(=O)C1(O)CCSCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824715442 608208764 /nfs/dbraw/zinc/20/87/64/608208764.db2.gz SFCOASFSIZZPND-JTQLQIEISA-N -1 3 377.426 0.995 20 0 GCADHM O=C(O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1(O)CCSCC1 ZINC000826477560 608209937 /nfs/dbraw/zinc/20/99/37/608209937.db2.gz GRBIHVOOJRELIX-ZDUSSCGKSA-N -1 3 389.437 0.773 20 0 GCADHM O=C(O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1(O)CCSCC1 ZINC000826477560 608209939 /nfs/dbraw/zinc/20/99/39/608209939.db2.gz GRBIHVOOJRELIX-ZDUSSCGKSA-N -1 3 389.437 0.773 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCCCc1nnc2n1CCCC2 ZINC000826417079 608210408 /nfs/dbraw/zinc/21/04/08/608210408.db2.gz CSNZZJZTEPLPPJ-UHFFFAOYSA-N -1 3 382.428 0.922 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476048 608211019 /nfs/dbraw/zinc/21/10/19/608211019.db2.gz ABVOBBSXLCTHFG-RISCZKNCSA-N -1 3 393.473 0.207 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476048 608211020 /nfs/dbraw/zinc/21/10/20/608211020.db2.gz ABVOBBSXLCTHFG-RISCZKNCSA-N -1 3 393.473 0.207 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCCNC(=O)N(C)C ZINC000826175356 608213366 /nfs/dbraw/zinc/21/33/66/608213366.db2.gz BNNAOTJPXJOBLX-UHFFFAOYSA-N -1 3 391.432 0.422 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCCNC(=O)N(C)C ZINC000826175356 608213367 /nfs/dbraw/zinc/21/33/67/608213367.db2.gz BNNAOTJPXJOBLX-UHFFFAOYSA-N -1 3 391.432 0.422 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)CCCCO)nn1-c1ccccc1 ZINC000826394980 608213701 /nfs/dbraw/zinc/21/37/01/608213701.db2.gz HLJZUAMEOJIUFJ-UHFFFAOYSA-N -1 3 384.444 0.846 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)CCCCO)nn1-c1ccccc1 ZINC000826394980 608213702 /nfs/dbraw/zinc/21/37/02/608213702.db2.gz HLJZUAMEOJIUFJ-UHFFFAOYSA-N -1 3 384.444 0.846 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc2nncn2c1 ZINC000826419551 608214478 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382.833 0.515 20 0 GCADHM O=C1CC[C@@H]2CN(S(=O)(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CCN12 ZINC000826480371 608242458 /nfs/dbraw/zinc/24/24/58/608242458.db2.gz ZHSKNNNUWBAPTL-SECBINFHSA-N -1 3 384.368 0.140 20 0 GCADHM O=C1CC[C@@H]2CN(S(=O)(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CCN12 ZINC000826480371 608242460 /nfs/dbraw/zinc/24/24/60/608242460.db2.gz ZHSKNNNUWBAPTL-SECBINFHSA-N -1 3 384.368 0.140 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)[C@@]1(O)CCSC1 ZINC000826454870 608244578 /nfs/dbraw/zinc/24/45/78/608244578.db2.gz OAVNSKURDOFVTI-QGZVFWFLSA-N -1 3 390.469 0.634 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)[C@@]1(O)CCSC1 ZINC000826454870 608244580 /nfs/dbraw/zinc/24/45/80/608244580.db2.gz OAVNSKURDOFVTI-QGZVFWFLSA-N -1 3 390.469 0.634 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)[C@@H](O)C(F)(F)F ZINC000825133013 608245007 /nfs/dbraw/zinc/24/50/07/608245007.db2.gz HEGJCTKSKNQZSL-PSASIEDQSA-N -1 3 390.297 0.762 20 0 GCADHM 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GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H](OCCO)C1 ZINC000826485372 608335026 /nfs/dbraw/zinc/33/50/26/608335026.db2.gz OCFLHABJQLXHRH-CYBMUJFWSA-N -1 3 385.421 0.309 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H](OCCO)C1 ZINC000826485372 608335028 /nfs/dbraw/zinc/33/50/28/608335028.db2.gz OCFLHABJQLXHRH-CYBMUJFWSA-N -1 3 385.421 0.309 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1C ZINC000824706578 608335911 /nfs/dbraw/zinc/33/59/11/608335911.db2.gz JGDYFFNNHWFRGN-NWDGAFQWSA-N -1 3 398.464 0.223 20 0 GCADHM CCc1nncn1CCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825772076 608336348 /nfs/dbraw/zinc/33/63/48/608336348.db2.gz YTFCVXGPZBZRMC-UHFFFAOYSA-N -1 3 380.409 0.279 20 0 GCADHM CCc1nncn1CCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825772076 608336350 /nfs/dbraw/zinc/33/63/50/608336350.db2.gz YTFCVXGPZBZRMC-UHFFFAOYSA-N -1 3 380.409 0.279 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826160979 608336375 /nfs/dbraw/zinc/33/63/75/608336375.db2.gz ORRUVGLJTLOQJP-GFCCVEGCSA-N -1 3 399.448 0.821 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826160979 608336378 /nfs/dbraw/zinc/33/63/78/608336378.db2.gz ORRUVGLJTLOQJP-GFCCVEGCSA-N -1 3 399.448 0.821 20 0 GCADHM CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000825376531 608337116 /nfs/dbraw/zinc/33/71/16/608337116.db2.gz IPWUACNZBZFYQZ-LLVKDONJSA-N -1 3 380.430 0.916 20 0 GCADHM CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000825376531 608337118 /nfs/dbraw/zinc/33/71/18/608337118.db2.gz IPWUACNZBZFYQZ-LLVKDONJSA-N -1 3 380.430 0.916 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)o1 ZINC000826393384 608338093 /nfs/dbraw/zinc/33/80/93/608338093.db2.gz PRLCVWKZNZYKQD-UHFFFAOYSA-N -1 3 380.361 0.317 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824406454 608338379 /nfs/dbraw/zinc/33/83/79/608338379.db2.gz KRXQVOPFFIKBDA-SECBINFHSA-N -1 3 391.450 0.248 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824406454 608338381 /nfs/dbraw/zinc/33/83/81/608338381.db2.gz KRXQVOPFFIKBDA-SECBINFHSA-N -1 3 391.450 0.248 20 0 GCADHM C[C@@H](CCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)[S@](C)=O ZINC000824400432 608338500 /nfs/dbraw/zinc/33/85/00/608338500.db2.gz HVJLHNYEDKMMHA-KLVQOETNSA-N -1 3 375.451 0.582 20 0 GCADHM C[C@@H](CCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)[S@](C)=O ZINC000824400432 608338501 /nfs/dbraw/zinc/33/85/01/608338501.db2.gz HVJLHNYEDKMMHA-KLVQOETNSA-N -1 3 375.451 0.582 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824406455 608338602 /nfs/dbraw/zinc/33/86/02/608338602.db2.gz KRXQVOPFFIKBDA-VIFPVBQESA-N -1 3 391.450 0.248 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824406455 608338603 /nfs/dbraw/zinc/33/86/03/608338603.db2.gz KRXQVOPFFIKBDA-VIFPVBQESA-N -1 3 391.450 0.248 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000826485942 608339491 /nfs/dbraw/zinc/33/94/91/608339491.db2.gz JGFQCSFUINVVDL-GJZGRUSLSA-N -1 3 397.432 0.715 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000826485942 608339492 /nfs/dbraw/zinc/33/94/92/608339492.db2.gz JGFQCSFUINVVDL-GJZGRUSLSA-N -1 3 397.432 0.715 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000826485941 608339838 /nfs/dbraw/zinc/33/98/38/608339838.db2.gz JGFQCSFUINVVDL-CABCVRRESA-N -1 3 397.432 0.715 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000826485941 608339839 /nfs/dbraw/zinc/33/98/39/608339839.db2.gz JGFQCSFUINVVDL-CABCVRRESA-N -1 3 397.432 0.715 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@H](C)C1 ZINC000823975137 608340272 /nfs/dbraw/zinc/34/02/72/608340272.db2.gz VBTZSYZLBFBKPM-MEBBXXQBSA-N -1 3 396.448 0.682 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@H](C)C1 ZINC000823975137 608340274 /nfs/dbraw/zinc/34/02/74/608340274.db2.gz 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ZINC000826308271 608341176 /nfs/dbraw/zinc/34/11/76/608341176.db2.gz QYJLNJAXGIHXQK-UHFFFAOYSA-N -1 3 395.408 0.738 20 0 GCADHM Cc1cccn2c(=O)c(C(=O)Nc3nc4n(c3-c3nn[n-]n3)CCS4)cnc12 ZINC000826308271 608341177 /nfs/dbraw/zinc/34/11/77/608341177.db2.gz QYJLNJAXGIHXQK-UHFFFAOYSA-N -1 3 395.408 0.738 20 0 GCADHM CCC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1CCOC ZINC000825259601 608342732 /nfs/dbraw/zinc/34/27/32/608342732.db2.gz JSVDOFLPGRYWGH-HNNXBMFYSA-N -1 3 394.501 0.988 20 0 GCADHM CCC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1CCOC ZINC000825259601 608342734 /nfs/dbraw/zinc/34/27/34/608342734.db2.gz JSVDOFLPGRYWGH-HNNXBMFYSA-N -1 3 394.501 0.988 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826060639 608342865 /nfs/dbraw/zinc/34/28/65/608342865.db2.gz PZSXYMFIMFETNE-YPMHNXCESA-N -1 3 382.421 0.340 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826060639 608342866 /nfs/dbraw/zinc/34/28/66/608342866.db2.gz PZSXYMFIMFETNE-YPMHNXCESA-N -1 3 382.421 0.340 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000826171830 608345577 /nfs/dbraw/zinc/34/55/77/608345577.db2.gz ZZPPAWQAOXWSGB-UHFFFAOYSA-N -1 3 395.441 0.590 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000826171830 608345579 /nfs/dbraw/zinc/34/55/79/608345579.db2.gz ZZPPAWQAOXWSGB-UHFFFAOYSA-N -1 3 395.441 0.590 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000826171517 608349238 /nfs/dbraw/zinc/34/92/38/608349238.db2.gz PPGUCBQVEYTQQD-LBPRGKRZSA-N -1 3 399.411 0.835 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000826171517 608349240 /nfs/dbraw/zinc/34/92/40/608349240.db2.gz PPGUCBQVEYTQQD-LBPRGKRZSA-N -1 3 399.411 0.835 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CS(=O)(=O)NC(C)(C)C ZINC000826172044 608351171 /nfs/dbraw/zinc/35/11/71/608351171.db2.gz KQEJWTJPXQMYML-UHFFFAOYSA-N -1 3 383.430 0.636 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CS(=O)(=O)NC(C)(C)C ZINC000826172044 608351173 /nfs/dbraw/zinc/35/11/73/608351173.db2.gz KQEJWTJPXQMYML-UHFFFAOYSA-N -1 3 383.430 0.636 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826308881 608352039 /nfs/dbraw/zinc/35/20/39/608352039.db2.gz UCMBRIWCWFLAAV-UHFFFAOYSA-N -1 3 385.359 0.268 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826308881 608352040 /nfs/dbraw/zinc/35/20/40/608352040.db2.gz UCMBRIWCWFLAAV-UHFFFAOYSA-N -1 3 385.359 0.268 20 0 GCADHM CCCCNC(=O)CN1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC000825285103 608352324 /nfs/dbraw/zinc/35/23/24/608352324.db2.gz JOGWSUWGZDREMH-UHFFFAOYSA-N -1 3 387.488 0.909 20 0 GCADHM CCCCNC(=O)CN1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC000825285103 608352326 /nfs/dbraw/zinc/35/23/26/608352326.db2.gz JOGWSUWGZDREMH-UHFFFAOYSA-N -1 3 387.488 0.909 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2nccn2c1 ZINC000826438748 608355309 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/nfs/dbraw/zinc/61/15/40/608611540.db2.gz UNICLFVSHSCQCG-UHFFFAOYSA-N -1 3 388.432 0.339 20 0 GCADHM CN(C)C(=O)CNC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825841263 608611542 /nfs/dbraw/zinc/61/15/42/608611542.db2.gz UNICLFVSHSCQCG-UHFFFAOYSA-N -1 3 388.432 0.339 20 0 GCADHM CS(=O)(=O)CC1(CN(c2cccc(-c3nnn[n-]3)c2)S(C)(=O)=O)CC1 ZINC000826222297 608616028 /nfs/dbraw/zinc/61/60/28/608616028.db2.gz QUTOQGFQSPILHH-UHFFFAOYSA-N -1 3 385.471 0.458 20 0 GCADHM CS(=O)(=O)CC1(CN(c2cccc(-c3nn[n-]n3)c2)S(C)(=O)=O)CC1 ZINC000826222297 608616030 /nfs/dbraw/zinc/61/60/30/608616030.db2.gz QUTOQGFQSPILHH-UHFFFAOYSA-N -1 3 385.471 0.458 20 0 GCADHM CS(=O)(=O)N(CC1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826222954 608616088 /nfs/dbraw/zinc/61/60/88/608616088.db2.gz VHAQNWCNNOSNBV-UHFFFAOYSA-N -1 3 385.471 0.458 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCSC[C@H]1CCO ZINC000826452388 608623617 /nfs/dbraw/zinc/62/36/17/608623617.db2.gz RKNVPVYSKWCHLY-SNVBAGLBSA-N -1 3 396.860 0.785 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CCSC[C@H]1CCO ZINC000826452388 608623620 /nfs/dbraw/zinc/62/36/20/608623620.db2.gz RKNVPVYSKWCHLY-SNVBAGLBSA-N -1 3 396.860 0.785 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)[C@H]1CSC(=O)N1 ZINC000826481611 608643657 /nfs/dbraw/zinc/64/36/57/608643657.db2.gz CDFYQUUECVRDBV-HTAVTVPLSA-N -1 3 389.441 0.893 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)[C@H]1CSC(=O)N1 ZINC000826481611 608643659 /nfs/dbraw/zinc/64/36/59/608643659.db2.gz CDFYQUUECVRDBV-HTAVTVPLSA-N -1 3 389.441 0.893 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826487631 608733379 /nfs/dbraw/zinc/73/33/79/608733379.db2.gz UYXRZEGNSIMNPN-UHFFFAOYSA-N -1 3 395.470 0.564 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Nc3cnccc3-c3nnn[n-]3)CC2)cn1 ZINC000826362261 608787049 /nfs/dbraw/zinc/78/70/49/608787049.db2.gz KKXVTVDLZZVSSM-UHFFFAOYSA-N -1 3 389.445 0.260 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Nc3cnccc3-c3nn[n-]n3)CC2)cn1 ZINC000826362261 608787051 /nfs/dbraw/zinc/78/70/51/608787051.db2.gz KKXVTVDLZZVSSM-UHFFFAOYSA-N -1 3 389.445 0.260 20 0 GCADHM O=S(=O)(N1CCC(Nc2cnccc2-c2nnn[n-]2)CC1)C(F)(F)F ZINC000826487260 608793156 /nfs/dbraw/zinc/79/31/56/608793156.db2.gz JFDNWZVCFSWNLD-UHFFFAOYSA-N -1 3 377.352 0.988 20 0 GCADHM O=S(=O)(N1CCC(Nc2cnccc2-c2nn[n-]n2)CC1)C(F)(F)F ZINC000826487260 608793159 /nfs/dbraw/zinc/79/31/59/608793159.db2.gz JFDNWZVCFSWNLD-UHFFFAOYSA-N -1 3 377.352 0.988 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825348315 608811451 /nfs/dbraw/zinc/81/14/51/608811451.db2.gz FYGFUZQVTTYGRP-GFCCVEGCSA-N -1 3 383.416 0.710 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825348315 608811454 /nfs/dbraw/zinc/81/14/54/608811454.db2.gz FYGFUZQVTTYGRP-GFCCVEGCSA-N -1 3 383.416 0.710 20 0 GCADHM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826481882 608824213 /nfs/dbraw/zinc/82/42/13/608824213.db2.gz KUHGZUZRHDORIU-NSHDSACASA-N -1 3 383.393 0.931 20 0 GCADHM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826481882 608824214 /nfs/dbraw/zinc/82/42/14/608824214.db2.gz KUHGZUZRHDORIU-NSHDSACASA-N -1 3 383.393 0.931 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2sccc2-c2nnn[n-]2)(C(=O)OC)CC1 ZINC000826133032 608828133 /nfs/dbraw/zinc/82/81/33/608828133.db2.gz ISRGGLYTVOGLKN-UHFFFAOYSA-N -1 3 393.425 0.933 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2sccc2-c2nn[n-]n2)(C(=O)OC)CC1 ZINC000826133032 608828135 /nfs/dbraw/zinc/82/81/35/608828135.db2.gz ISRGGLYTVOGLKN-UHFFFAOYSA-N -1 3 393.425 0.933 20 0 GCADHM COC(=O)C1(O)CCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826123580 608828226 /nfs/dbraw/zinc/82/82/26/608828226.db2.gz HBAXNWZPQVSEQO-NSHDSACASA-N -1 3 375.385 0.161 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(N(C)C)s1 ZINC000824999010 608837475 /nfs/dbraw/zinc/83/74/75/608837475.db2.gz CHTLFEIMUQPCTQ-NSHDSACASA-N -1 3 386.489 0.890 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc(N(C)C)s1 ZINC000824999010 608837479 /nfs/dbraw/zinc/83/74/79/608837479.db2.gz CHTLFEIMUQPCTQ-NSHDSACASA-N -1 3 386.489 0.890 20 0 GCADHM Cn1cc([C@]2(C)CN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CCO2)cn1 ZINC000826359778 608843807 /nfs/dbraw/zinc/84/38/07/608843807.db2.gz QBMJWGSTLJZADR-SFHVURJKSA-N -1 3 379.428 0.996 20 0 GCADHM Cn1cc([C@]2(C)CN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CCO2)cn1 ZINC000826359778 608843810 /nfs/dbraw/zinc/84/38/10/608843810.db2.gz QBMJWGSTLJZADR-SFHVURJKSA-N -1 3 379.428 0.996 20 0 GCADHM Cn1cc([C@@]2(C)CN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CCO2)cn1 ZINC000826359777 608843958 /nfs/dbraw/zinc/84/39/58/608843958.db2.gz QBMJWGSTLJZADR-GOSISDBHSA-N -1 3 379.428 0.996 20 0 GCADHM Cn1cc([C@@]2(C)CN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CCO2)cn1 ZINC000826359777 608843962 /nfs/dbraw/zinc/84/39/62/608843962.db2.gz QBMJWGSTLJZADR-GOSISDBHSA-N -1 3 379.428 0.996 20 0 GCADHM O=C(CN1C(=O)c2cccnc2S1(=O)=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826409806 608871550 /nfs/dbraw/zinc/87/15/50/608871550.db2.gz PZKRWVQEAADSMJ-UHFFFAOYSA-N -1 3 385.365 0.045 20 0 GCADHM O=C(CN1C(=O)c2cccnc2S1(=O)=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826409806 608871552 /nfs/dbraw/zinc/87/15/52/608871552.db2.gz PZKRWVQEAADSMJ-UHFFFAOYSA-N -1 3 385.365 0.045 20 0 GCADHM COCCOCCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826160875 609134420 /nfs/dbraw/zinc/13/44/20/609134420.db2.gz KKYDDZKCDCKALH-HNNXBMFYSA-N -1 3 388.428 0.531 20 0 GCADHM COCCOCCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826160875 609134422 /nfs/dbraw/zinc/13/44/22/609134422.db2.gz KKYDDZKCDCKALH-HNNXBMFYSA-N -1 3 388.428 0.531 20 0 GCADHM O=C(CN1CCCC1=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826410647 609135108 /nfs/dbraw/zinc/13/51/08/609135108.db2.gz TZJTTWKFZKNDKP-CQSZACIVSA-N -1 3 383.412 0.101 20 0 GCADHM O=C(CN1CCCC1=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826410647 609135109 /nfs/dbraw/zinc/13/51/09/609135109.db2.gz TZJTTWKFZKNDKP-CQSZACIVSA-N -1 3 383.412 0.101 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826320020 609136017 /nfs/dbraw/zinc/13/60/17/609136017.db2.gz DDWKHTCGIDFTGY-HNNXBMFYSA-N -1 3 380.412 0.683 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826320020 609136018 /nfs/dbraw/zinc/13/60/18/609136018.db2.gz DDWKHTCGIDFTGY-HNNXBMFYSA-N -1 3 380.412 0.683 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1=O ZINC000824301257 609136789 /nfs/dbraw/zinc/13/67/89/609136789.db2.gz VJJVPCOZGIGKPV-UHFFFAOYSA-N -1 3 375.364 0.024 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000824301257 609136790 /nfs/dbraw/zinc/13/67/90/609136790.db2.gz VJJVPCOZGIGKPV-UHFFFAOYSA-N -1 3 375.364 0.024 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC)[C@@H](C(=O)OC)C1 ZINC000826132059 609144307 /nfs/dbraw/zinc/14/43/07/609144307.db2.gz ASJHWKZYEWNRGN-TZMCWYRMSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC)[C@@H](C(=O)OC)C1 ZINC000826132059 609144309 /nfs/dbraw/zinc/14/43/09/609144309.db2.gz ASJHWKZYEWNRGN-TZMCWYRMSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000826132053 609144349 /nfs/dbraw/zinc/14/43/49/609144349.db2.gz ASJHWKZYEWNRGN-GXTWGEPZSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000826132053 609144350 /nfs/dbraw/zinc/14/43/50/609144350.db2.gz ASJHWKZYEWNRGN-GXTWGEPZSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H](C(=O)OC)C1 ZINC000826132084 609144545 /nfs/dbraw/zinc/14/45/45/609144545.db2.gz AVJHVUSHWNZPKF-FZMZJTMJSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@H](C(=O)OC)C1 ZINC000826132084 609144547 /nfs/dbraw/zinc/14/45/47/609144547.db2.gz AVJHVUSHWNZPKF-FZMZJTMJSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1CCN(CCOc2cccc(-c3nnn[n-]3)c2)[C@H](C(=O)OC)C1 ZINC000826133352 609144608 /nfs/dbraw/zinc/14/46/08/609144608.db2.gz LTGOTCFBPLWJDK-ZFWWWQNUSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@H]1CCN(CCOc2cccc(-c3nn[n-]n3)c2)[C@H](C(=O)OC)C1 ZINC000826133352 609144609 /nfs/dbraw/zinc/14/46/09/609144609.db2.gz LTGOTCFBPLWJDK-ZFWWWQNUSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(-c3nnn[n-]3)ccc2OC)[C@@H](C(=O)OC)C1 ZINC000826133272 609144654 /nfs/dbraw/zinc/14/46/54/609144654.db2.gz LDGWUFWPHFKCRL-TZMCWYRMSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2OC)[C@@H](C(=O)OC)C1 ZINC000826133272 609144655 /nfs/dbraw/zinc/14/46/55/609144655.db2.gz LDGWUFWPHFKCRL-TZMCWYRMSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc(-c2nnn[n-]2)c1 ZINC000826111763 609144792 /nfs/dbraw/zinc/14/47/92/609144792.db2.gz LSHSIJCEHYYLHY-GJZGRUSLSA-N -1 3 389.412 0.593 20 0 GCADHM COC(=O)[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc(-c2nn[n-]n2)c1 ZINC000826111763 609144794 /nfs/dbraw/zinc/14/47/94/609144794.db2.gz LSHSIJCEHYYLHY-GJZGRUSLSA-N -1 3 389.412 0.593 20 0 GCADHM Cn1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c(-c2cccnc2)n1 ZINC000826359171 609144972 /nfs/dbraw/zinc/14/49/72/609144972.db2.gz YQZHSBWSUDHHQG-UHFFFAOYSA-N -1 3 380.372 0.298 20 0 GCADHM Cn1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c(-c2cccnc2)n1 ZINC000826359171 609144973 /nfs/dbraw/zinc/14/49/73/609144973.db2.gz YQZHSBWSUDHHQG-UHFFFAOYSA-N -1 3 380.372 0.298 20 0 GCADHM C[C@@H](O)[C@@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000824686327 609145947 /nfs/dbraw/zinc/14/59/47/609145947.db2.gz BNIWQFBQZUPMKM-CHWSQXEVSA-N -1 3 382.428 0.694 20 0 GCADHM C[C@H](O)[C@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000824686334 609146319 /nfs/dbraw/zinc/14/63/19/609146319.db2.gz BNIWQFBQZUPMKM-STQMWFEESA-N -1 3 382.428 0.694 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259117 609152106 /nfs/dbraw/zinc/15/21/06/609152106.db2.gz IDQNDHLRVMHDJE-HNNXBMFYSA-N -1 3 382.428 0.421 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(C)CCO2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259117 609152108 /nfs/dbraw/zinc/15/21/08/609152108.db2.gz IDQNDHLRVMHDJE-HNNXBMFYSA-N -1 3 382.428 0.421 20 0 GCADHM Cc1cc(C(=O)N2CCNC(=O)C[C@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258558 609158476 /nfs/dbraw/zinc/15/84/76/609158476.db2.gz OIWNVUZNXMYLAQ-LLVKDONJSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1cc(C(=O)N2CCNC(=O)C[C@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258558 609158478 /nfs/dbraw/zinc/15/84/78/609158478.db2.gz OIWNVUZNXMYLAQ-LLVKDONJSA-N -1 3 380.412 0.711 20 0 GCADHM COCC[C@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826153660 609161458 /nfs/dbraw/zinc/16/14/58/609161458.db2.gz VZAOFDQEUWVVHO-SFHVURJKSA-N -1 3 385.428 0.878 20 0 GCADHM COCC[C@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826153660 609161460 /nfs/dbraw/zinc/16/14/60/609161460.db2.gz VZAOFDQEUWVVHO-SFHVURJKSA-N -1 3 385.428 0.878 20 0 GCADHM CCNC(=O)CCCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825471521 609161650 /nfs/dbraw/zinc/16/16/50/609161650.db2.gz VQUKAKBPPPNOGZ-HNNXBMFYSA-N -1 3 375.385 0.930 20 0 GCADHM CCNC(=O)CCCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825471521 609161651 /nfs/dbraw/zinc/16/16/51/609161651.db2.gz VQUKAKBPPPNOGZ-HNNXBMFYSA-N -1 3 375.385 0.930 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258540 609162263 /nfs/dbraw/zinc/16/22/63/609162263.db2.gz OAZSYGSSZRHGQC-CYBMUJFWSA-N -1 3 392.423 0.854 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258540 609162265 /nfs/dbraw/zinc/16/22/65/609162265.db2.gz OAZSYGSSZRHGQC-CYBMUJFWSA-N -1 3 392.423 0.854 20 0 GCADHM Cc1cc(C(=O)N(C)CCNC(=O)N(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826256983 609166248 /nfs/dbraw/zinc/16/62/48/609166248.db2.gz JADMERINJGDPHG-UHFFFAOYSA-N -1 3 397.443 0.704 20 0 GCADHM Cc1cc(C(=O)N(C)CCNC(=O)N(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826256983 609166250 /nfs/dbraw/zinc/16/62/50/609166250.db2.gz JADMERINJGDPHG-UHFFFAOYSA-N -1 3 397.443 0.704 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2ccn(C)n2)c(-c2nnn[n-]2)cn1CCOC ZINC000825558985 609168802 /nfs/dbraw/zinc/16/88/02/609168802.db2.gz ABQKZCABKHKHOO-UHFFFAOYSA-N -1 3 388.388 0.477 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2ccn(C)n2)c(-c2nn[n-]n2)cn1CCOC ZINC000825558985 609168804 /nfs/dbraw/zinc/16/88/04/609168804.db2.gz ABQKZCABKHKHOO-UHFFFAOYSA-N -1 3 388.388 0.477 20 0 GCADHM COC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000826143567 609172078 /nfs/dbraw/zinc/17/20/78/609172078.db2.gz GHVLJLJICDFEAP-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM COC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000826143567 609172080 /nfs/dbraw/zinc/17/20/80/609172080.db2.gz GHVLJLJICDFEAP-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM O=C(NCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccn[nH]1 ZINC000826437561 609176200 /nfs/dbraw/zinc/17/62/00/609176200.db2.gz QOQYTWNUOHBGJT-OAHLLOKOSA-N -1 3 395.427 0.105 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c[nH]1 ZINC000826256336 609178457 /nfs/dbraw/zinc/17/84/57/609178457.db2.gz DOWQTGBLWCANCP-HNNXBMFYSA-N -1 3 393.407 0.789 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c[nH]1 ZINC000826256336 609178458 /nfs/dbraw/zinc/17/84/58/609178458.db2.gz DOWQTGBLWCANCP-HNNXBMFYSA-N -1 3 393.407 0.789 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(N)n1 ZINC000826329440 609178477 /nfs/dbraw/zinc/17/84/77/609178477.db2.gz DEWHCNZMNAUCMO-AWEZNQCLSA-N -1 3 393.411 0.473 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(N)n1 ZINC000826329440 609178478 /nfs/dbraw/zinc/17/84/78/609178478.db2.gz DEWHCNZMNAUCMO-AWEZNQCLSA-N -1 3 393.411 0.473 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000825476924 609178521 /nfs/dbraw/zinc/17/85/21/609178521.db2.gz YWGVRFVBUALWFY-CQSZACIVSA-N -1 3 386.460 0.838 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826392771 609179065 /nfs/dbraw/zinc/17/90/65/609179065.db2.gz MKDZYYYIUQTWAY-ZDUSSCGKSA-N -1 3 394.395 0.219 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826392771 609179066 /nfs/dbraw/zinc/17/90/66/609179066.db2.gz MKDZYYYIUQTWAY-ZDUSSCGKSA-N -1 3 394.395 0.219 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826396777 609179093 /nfs/dbraw/zinc/17/90/93/609179093.db2.gz KSVRZNILVVYGSO-GFCCVEGCSA-N -1 3 379.384 0.164 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826396777 609179094 /nfs/dbraw/zinc/17/90/94/609179094.db2.gz KSVRZNILVVYGSO-GFCCVEGCSA-N -1 3 379.384 0.164 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc[nH]c1=O ZINC000826431199 609179763 /nfs/dbraw/zinc/17/97/63/609179763.db2.gz URROGNSAJHQTMT-CQSZACIVSA-N -1 3 379.380 0.893 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc[nH]c1=O ZINC000826431199 609179765 /nfs/dbraw/zinc/17/97/65/609179765.db2.gz URROGNSAJHQTMT-CQSZACIVSA-N -1 3 379.380 0.893 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000826325107 609180904 /nfs/dbraw/zinc/18/09/04/609180904.db2.gz NRQJQMSEOQTIIS-ZDUSSCGKSA-N -1 3 388.363 0.980 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000826325107 609180905 /nfs/dbraw/zinc/18/09/05/609180905.db2.gz NRQJQMSEOQTIIS-ZDUSSCGKSA-N -1 3 388.363 0.980 20 0 GCADHM C[C@H](CCCO)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824402602 609181453 /nfs/dbraw/zinc/18/14/53/609181453.db2.gz XKBDXICLCJJZDN-IUODEOHRSA-N -1 3 387.444 0.822 20 0 GCADHM C[C@H](CCCO)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824402602 609181455 /nfs/dbraw/zinc/18/14/55/609181455.db2.gz XKBDXICLCJJZDN-IUODEOHRSA-N -1 3 387.444 0.822 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H]2COC3(CCOCC3)O2)c1-c1nnn[n-]1 ZINC000826303519 609182289 /nfs/dbraw/zinc/18/22/89/609182289.db2.gz SYYHMJOCGQSWBQ-GFCCVEGCSA-N -1 3 395.441 0.376 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H]2COC3(CCOCC3)O2)c1-c1nn[n-]n1 ZINC000826303519 609182291 /nfs/dbraw/zinc/18/22/91/609182291.db2.gz SYYHMJOCGQSWBQ-GFCCVEGCSA-N -1 3 395.441 0.376 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000826398318 609182335 /nfs/dbraw/zinc/18/23/35/609182335.db2.gz UQMNXCZQFCFEQH-QGZVFWFLSA-N -1 3 380.408 0.955 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000826398318 609182337 /nfs/dbraw/zinc/18/23/37/609182337.db2.gz UQMNXCZQFCFEQH-QGZVFWFLSA-N -1 3 380.408 0.955 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826486447 609182795 /nfs/dbraw/zinc/18/27/95/609182795.db2.gz COGPJFHQFROBBC-CQSZACIVSA-N -1 3 395.441 0.208 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826486447 609182796 /nfs/dbraw/zinc/18/27/96/609182796.db2.gz COGPJFHQFROBBC-CQSZACIVSA-N -1 3 395.441 0.208 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826490926 609182914 /nfs/dbraw/zinc/18/29/14/609182914.db2.gz MXSUCLMXESHWDW-LBPRGKRZSA-N -1 3 381.414 0.067 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826490926 609182915 /nfs/dbraw/zinc/18/29/15/609182915.db2.gz MXSUCLMXESHWDW-LBPRGKRZSA-N -1 3 381.414 0.067 20 0 GCADHM COCc1noc(CSCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826165923 609185114 /nfs/dbraw/zinc/18/51/14/609185114.db2.gz OALIGTLVDNFFLS-UHFFFAOYSA-N -1 3 375.414 0.946 20 0 GCADHM COCc1noc(CSCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826165923 609185115 /nfs/dbraw/zinc/18/51/15/609185115.db2.gz OALIGTLVDNFFLS-UHFFFAOYSA-N -1 3 375.414 0.946 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000826398566 609186430 /nfs/dbraw/zinc/18/64/30/609186430.db2.gz ZJYIZBOXZHUHJH-QGZVFWFLSA-N -1 3 379.424 0.640 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000826398566 609186432 /nfs/dbraw/zinc/18/64/32/609186432.db2.gz ZJYIZBOXZHUHJH-QGZVFWFLSA-N -1 3 379.424 0.640 20 0 GCADHM CNC(=O)c1ccc(CN(C)C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826068660 609188038 /nfs/dbraw/zinc/18/80/38/609188038.db2.gz VLZSVEKJSAPZSH-INIZCTEOSA-N -1 3 380.408 0.918 20 0 GCADHM CNC(=O)c1ccc(CN(C)C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826068660 609188039 /nfs/dbraw/zinc/18/80/39/609188039.db2.gz VLZSVEKJSAPZSH-INIZCTEOSA-N -1 3 380.408 0.918 20 0 GCADHM CC(C)CNC(=O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824266009 609190007 /nfs/dbraw/zinc/19/00/07/609190007.db2.gz BDLHGDHOZWHHHT-INIZCTEOSA-N -1 3 386.456 0.911 20 0 GCADHM CC(C)CNC(=O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824266009 609190009 /nfs/dbraw/zinc/19/00/09/609190009.db2.gz BDLHGDHOZWHHHT-INIZCTEOSA-N -1 3 386.456 0.911 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)N1CCCCCC1 ZINC000826410963 609191082 /nfs/dbraw/zinc/19/10/82/609191082.db2.gz FXMWNJWXKPMYOV-UHFFFAOYSA-N -1 3 386.460 0.355 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)N1CCCCCC1 ZINC000826410963 609191084 /nfs/dbraw/zinc/19/10/84/609191084.db2.gz FXMWNJWXKPMYOV-UHFFFAOYSA-N -1 3 386.460 0.355 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)Nc1ccc(F)cc1 ZINC000826411273 609191367 /nfs/dbraw/zinc/19/13/67/609191367.db2.gz RVGIRQZACKIAEB-UHFFFAOYSA-N -1 3 398.402 0.730 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)Nc1ccc(F)cc1 ZINC000826411273 609191369 /nfs/dbraw/zinc/19/13/69/609191369.db2.gz RVGIRQZACKIAEB-UHFFFAOYSA-N -1 3 398.402 0.730 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826430578 609191523 /nfs/dbraw/zinc/19/15/23/609191523.db2.gz GDMGHKNIUMESEZ-MRXNPFEDSA-N -1 3 396.407 0.914 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826430578 609191524 /nfs/dbraw/zinc/19/15/24/609191524.db2.gz GDMGHKNIUMESEZ-MRXNPFEDSA-N -1 3 396.407 0.914 20 0 GCADHM O=C(NCc1cccnc1-n1ccnc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443615 609192319 /nfs/dbraw/zinc/19/23/19/609192319.db2.gz WYLHAJJRJOUETP-OAHLLOKOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1cccnc1-n1ccnc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443615 609192321 /nfs/dbraw/zinc/19/23/21/609192321.db2.gz WYLHAJJRJOUETP-OAHLLOKOSA-N -1 3 376.380 0.797 20 0 GCADHM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000826389322 609192461 /nfs/dbraw/zinc/19/24/61/609192461.db2.gz VJQAGDMKXSUMMR-OAHLLOKOSA-N -1 3 380.412 0.179 20 0 GCADHM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826389322 609192462 /nfs/dbraw/zinc/19/24/62/609192462.db2.gz VJQAGDMKXSUMMR-OAHLLOKOSA-N -1 3 380.412 0.179 20 0 GCADHM Cn1ccnc1[C@](O)(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826364109 609196327 /nfs/dbraw/zinc/19/63/27/609196327.db2.gz LNXOOLQCEALXKA-CYBMUJFWSA-N -1 3 384.322 0.498 20 0 GCADHM Cn1ccnc1[C@](O)(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826364109 609196329 /nfs/dbraw/zinc/19/63/29/609196329.db2.gz LNXOOLQCEALXKA-CYBMUJFWSA-N -1 3 384.322 0.498 20 0 GCADHM O=C(NCc1nncn1-c1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443833 609196857 /nfs/dbraw/zinc/19/68/57/609196857.db2.gz FYVITGXXVRUCTF-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1nncn1-c1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443833 609196858 /nfs/dbraw/zinc/19/68/58/609196858.db2.gz FYVITGXXVRUCTF-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1ccnc(-n2cccn2)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443644 609197068 /nfs/dbraw/zinc/19/70/68/609197068.db2.gz XNWUEBIXWOWCJO-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1ccnc(-n2cccn2)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443644 609197070 /nfs/dbraw/zinc/19/70/70/609197070.db2.gz XNWUEBIXWOWCJO-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NC1CCN(c2ncccn2)CC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431445 609198145 /nfs/dbraw/zinc/19/81/45/609198145.db2.gz BCXKNULTPAVCJD-HNNXBMFYSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(NC1CCN(c2ncccn2)CC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431445 609198147 /nfs/dbraw/zinc/19/81/47/609198147.db2.gz BCXKNULTPAVCJD-HNNXBMFYSA-N -1 3 380.412 0.475 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000824514005 609199116 /nfs/dbraw/zinc/19/91/16/609199116.db2.gz LLHDTGQNMYGFSE-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000824514005 609199118 /nfs/dbraw/zinc/19/91/18/609199118.db2.gz LLHDTGQNMYGFSE-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM Cc1noc(C)c1CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826338700 609200038 /nfs/dbraw/zinc/20/00/38/609200038.db2.gz FDGWXYZBOLBDHJ-KRWDZBQOSA-N -1 3 397.439 0.849 20 0 GCADHM Cc1noc(C)c1CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826338700 609200039 /nfs/dbraw/zinc/20/00/39/609200039.db2.gz FDGWXYZBOLBDHJ-KRWDZBQOSA-N -1 3 397.439 0.849 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CC[C@@H](CCO)C1 ZINC000826430620 609202911 /nfs/dbraw/zinc/20/29/11/609202911.db2.gz HEOLDTNAQMHRQI-BBRMVZONSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CC[C@@H](CCO)C1 ZINC000826430620 609202912 /nfs/dbraw/zinc/20/29/12/609202912.db2.gz HEOLDTNAQMHRQI-BBRMVZONSA-N -1 3 399.455 0.776 20 0 GCADHM NC(=O)CCOc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826391496 609203050 /nfs/dbraw/zinc/20/30/50/609203050.db2.gz NPYOPWOTFANZDP-MRXNPFEDSA-N -1 3 382.380 0.793 20 0 GCADHM NC(=O)CCOc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826391496 609203051 /nfs/dbraw/zinc/20/30/51/609203051.db2.gz NPYOPWOTFANZDP-MRXNPFEDSA-N -1 3 382.380 0.793 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC(O)CC1 ZINC000826430668 609203080 /nfs/dbraw/zinc/20/30/80/609203080.db2.gz IIRSIZIAJWLHMC-OAHLLOKOSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC(O)CC1 ZINC000826430668 609203082 /nfs/dbraw/zinc/20/30/82/609203082.db2.gz IIRSIZIAJWLHMC-OAHLLOKOSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)NC1(CO)CCCC1 ZINC000826430386 609203178 /nfs/dbraw/zinc/20/31/78/609203178.db2.gz BDPGMXARGPTXIV-OAHLLOKOSA-N -1 3 399.455 0.966 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)NC1(CO)CCCC1 ZINC000826430386 609203180 /nfs/dbraw/zinc/20/31/80/609203180.db2.gz BDPGMXARGPTXIV-OAHLLOKOSA-N -1 3 399.455 0.966 20 0 GCADHM CC(C)[C@H](O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824207050 609203691 /nfs/dbraw/zinc/20/36/91/609203691.db2.gz OMKDQIHVVAPPOM-HUUCEWRRSA-N -1 3 387.444 0.678 20 0 GCADHM CC(C)[C@H](O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824207050 609203693 /nfs/dbraw/zinc/20/36/93/609203693.db2.gz OMKDQIHVVAPPOM-HUUCEWRRSA-N -1 3 387.444 0.678 20 0 GCADHM O=C(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(c2ccccc2)CC1 ZINC000826432496 609204345 /nfs/dbraw/zinc/20/43/45/609204345.db2.gz CEVYIXMZECXWHP-UHFFFAOYSA-N -1 3 380.412 0.273 20 0 GCADHM O=C(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(c2ccccc2)CC1 ZINC000826432496 609204347 /nfs/dbraw/zinc/20/43/47/609204347.db2.gz CEVYIXMZECXWHP-UHFFFAOYSA-N -1 3 380.412 0.273 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000826469861 609204898 /nfs/dbraw/zinc/20/48/98/609204898.db2.gz UYGVGSKRSDYKBT-UHFFFAOYSA-N -1 3 377.359 0.744 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000826469861 609204900 /nfs/dbraw/zinc/20/49/00/609204900.db2.gz UYGVGSKRSDYKBT-UHFFFAOYSA-N -1 3 377.359 0.744 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@H]1CO ZINC000826476303 609205612 /nfs/dbraw/zinc/20/56/12/609205612.db2.gz FFIUAUPRCQBTBT-GJZGRUSLSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@H]1CO ZINC000826476303 609205614 /nfs/dbraw/zinc/20/56/14/609205614.db2.gz FFIUAUPRCQBTBT-GJZGRUSLSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(NC[C@@H](O)C1CC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826432961 609206495 /nfs/dbraw/zinc/20/64/95/609206495.db2.gz QODDMWWMFPDKCN-LSDHHAIUSA-N -1 3 385.428 0.432 20 0 GCADHM O=C(NC[C@@H](O)C1CC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826432961 609206496 /nfs/dbraw/zinc/20/64/96/609206496.db2.gz QODDMWWMFPDKCN-LSDHHAIUSA-N -1 3 385.428 0.432 20 0 GCADHM O=C(N[C@H](CO)CC1CC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826426309 609206552 /nfs/dbraw/zinc/20/65/52/609206552.db2.gz KTDBSQCJABZQSC-HOCLYGCPSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(N[C@H](CO)CC1CC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826426309 609206553 /nfs/dbraw/zinc/20/65/53/609206553.db2.gz KTDBSQCJABZQSC-HOCLYGCPSA-N -1 3 399.455 0.822 20 0 GCADHM COc1ccnc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826220952 609208824 /nfs/dbraw/zinc/20/88/24/609208824.db2.gz HYKQNJMJZIQKCC-OAHLLOKOSA-N -1 3 396.411 0.048 20 0 GCADHM COc1ccnc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826220952 609208826 /nfs/dbraw/zinc/20/88/26/609208826.db2.gz HYKQNJMJZIQKCC-OAHLLOKOSA-N -1 3 396.411 0.048 20 0 GCADHM CN1CCN(C(=O)CC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CC1 ZINC000826034004 609211946 /nfs/dbraw/zinc/21/19/46/609211946.db2.gz NGRGJYUTWLSFAJ-UHFFFAOYSA-N -1 3 386.460 0.211 20 0 GCADHM O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826435324 609213506 /nfs/dbraw/zinc/21/35/06/609213506.db2.gz MCRNNARBQCMMLF-UHFFFAOYSA-N -1 3 389.388 0.189 20 0 GCADHM O=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826435324 609213508 /nfs/dbraw/zinc/21/35/08/609213508.db2.gz MCRNNARBQCMMLF-UHFFFAOYSA-N -1 3 389.388 0.189 20 0 GCADHM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824412837 609213670 /nfs/dbraw/zinc/21/36/70/609213670.db2.gz GTCZPZIKWZHOCB-ZDUSSCGKSA-N -1 3 381.444 0.530 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2=O)cc1 ZINC000826194667 609214453 /nfs/dbraw/zinc/21/44/53/609214453.db2.gz SDBRZRPHTAJWSV-AWEZNQCLSA-N -1 3 381.396 0.734 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2=O)cc1 ZINC000826194667 609214455 /nfs/dbraw/zinc/21/44/55/609214455.db2.gz SDBRZRPHTAJWSV-AWEZNQCLSA-N -1 3 381.396 0.734 20 0 GCADHM CC(C)COC(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824266393 609217073 /nfs/dbraw/zinc/21/70/73/609217073.db2.gz KPZYLVAAXKYPIU-OAHLLOKOSA-N -1 3 388.428 0.837 20 0 GCADHM CC(C)COC(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824266393 609217075 /nfs/dbraw/zinc/21/70/75/609217075.db2.gz KPZYLVAAXKYPIU-OAHLLOKOSA-N -1 3 388.428 0.837 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cn2)C[C@H](C)O1 ZINC000824967210 609217108 /nfs/dbraw/zinc/21/71/08/609217108.db2.gz HYRQPQDZJPNSAS-PHIMTYICSA-N -1 3 399.415 0.279 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cn2)C[C@H](C)O1 ZINC000824967210 609217109 /nfs/dbraw/zinc/21/71/09/609217109.db2.gz HYRQPQDZJPNSAS-PHIMTYICSA-N -1 3 399.415 0.279 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000826398770 609217215 /nfs/dbraw/zinc/21/72/15/609217215.db2.gz FSXVOSLZECFFPQ-KGLIPLIRSA-N -1 3 388.453 0.424 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000826398770 609217217 /nfs/dbraw/zinc/21/72/17/609217217.db2.gz FSXVOSLZECFFPQ-KGLIPLIRSA-N -1 3 388.453 0.424 20 0 GCADHM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CC2 ZINC000825476185 609217437 /nfs/dbraw/zinc/21/74/37/609217437.db2.gz BPOXHCVSWPYNEU-UHFFFAOYSA-N -1 3 387.425 0.696 20 0 GCADHM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2 ZINC000825476185 609217439 /nfs/dbraw/zinc/21/74/39/609217439.db2.gz BPOXHCVSWPYNEU-UHFFFAOYSA-N -1 3 387.425 0.696 20 0 GCADHM O=C(CCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccccc1 ZINC000826407565 609217471 /nfs/dbraw/zinc/21/74/71/609217471.db2.gz SOMIANNMYFVIMV-QGZVFWFLSA-N -1 3 380.408 0.723 20 0 GCADHM O=C(CCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccccc1 ZINC000826407565 609217472 /nfs/dbraw/zinc/21/74/72/609217472.db2.gz SOMIANNMYFVIMV-QGZVFWFLSA-N -1 3 380.408 0.723 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NC(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824364362 609217947 /nfs/dbraw/zinc/21/79/47/609217947.db2.gz CKEJKVLXAMGTAK-UKRRQHHQSA-N -1 3 382.428 0.746 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NC(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824364362 609217949 /nfs/dbraw/zinc/21/79/49/609217949.db2.gz CKEJKVLXAMGTAK-UKRRQHHQSA-N -1 3 382.428 0.746 20 0 GCADHM CCCCNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825285048 609218079 /nfs/dbraw/zinc/21/80/79/609218079.db2.gz HRSYVMHTAZPQDT-KBPBESRZSA-N -1 3 390.469 0.718 20 0 GCADHM CCCCNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825285048 609218080 /nfs/dbraw/zinc/21/80/80/609218080.db2.gz HRSYVMHTAZPQDT-KBPBESRZSA-N -1 3 390.469 0.718 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000826482967 609218810 /nfs/dbraw/zinc/21/88/10/609218810.db2.gz WKGYSWWTBNULTM-CVEARBPZSA-N -1 3 378.392 0.600 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000826482967 609218811 /nfs/dbraw/zinc/21/88/11/609218811.db2.gz WKGYSWWTBNULTM-CVEARBPZSA-N -1 3 378.392 0.600 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826292692 609220468 /nfs/dbraw/zinc/22/04/68/609220468.db2.gz HUEYDUUPCJKEFI-UHFFFAOYSA-N -1 3 389.441 0.554 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826292692 609220470 /nfs/dbraw/zinc/22/04/70/609220470.db2.gz HUEYDUUPCJKEFI-UHFFFAOYSA-N -1 3 389.441 0.554 20 0 GCADHM Cc1cc(C(=O)N2CCNC(=O)C2(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258864 609222556 /nfs/dbraw/zinc/22/25/56/609222556.db2.gz ZGNRLJDVGPLTAO-UHFFFAOYSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1cc(C(=O)N2CCNC(=O)C2(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258864 609222557 /nfs/dbraw/zinc/22/25/57/609222557.db2.gz ZGNRLJDVGPLTAO-UHFFFAOYSA-N -1 3 380.412 0.711 20 0 GCADHM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833569 609226678 /nfs/dbraw/zinc/22/66/78/609226678.db2.gz IKMWQXJALCUKSG-DLBZAZTESA-N -1 3 394.435 0.716 20 0 GCADHM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833569 609226680 /nfs/dbraw/zinc/22/66/80/609226680.db2.gz IKMWQXJALCUKSG-DLBZAZTESA-N -1 3 394.435 0.716 20 0 GCADHM Cc1cc(S(=O)(=O)NCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C)s1 ZINC000826272279 609227093 /nfs/dbraw/zinc/22/70/93/609227093.db2.gz BRLJMRURMWGVHR-UHFFFAOYSA-N -1 3 395.470 0.581 20 0 GCADHM Cc1cc(S(=O)(=O)NCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C)s1 ZINC000826272279 609227094 /nfs/dbraw/zinc/22/70/94/609227094.db2.gz BRLJMRURMWGVHR-UHFFFAOYSA-N -1 3 395.470 0.581 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Cc1ccccc1OC ZINC000826104551 609227963 /nfs/dbraw/zinc/22/79/63/609227963.db2.gz ZDPCEDYWLASPPK-ZDUSSCGKSA-N -1 3 384.396 0.965 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Cc1ccccc1OC ZINC000826104551 609227965 /nfs/dbraw/zinc/22/79/65/609227965.db2.gz ZDPCEDYWLASPPK-ZDUSSCGKSA-N -1 3 384.396 0.965 20 0 GCADHM Cc1noc([C@H](C)N2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826338028 609228466 /nfs/dbraw/zinc/22/84/66/609228466.db2.gz IRSMOUXACZRBNG-XHDPSFHLSA-N -1 3 398.427 0.497 20 0 GCADHM Cc1noc([C@H](C)N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826338028 609228467 /nfs/dbraw/zinc/22/84/67/609228467.db2.gz IRSMOUXACZRBNG-XHDPSFHLSA-N -1 3 398.427 0.497 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826338026 609228678 /nfs/dbraw/zinc/22/86/78/609228678.db2.gz IRSMOUXACZRBNG-IAQYHMDHSA-N -1 3 398.427 0.497 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826338026 609228679 /nfs/dbraw/zinc/22/86/79/609228679.db2.gz IRSMOUXACZRBNG-IAQYHMDHSA-N -1 3 398.427 0.497 20 0 GCADHM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431252 609229284 /nfs/dbraw/zinc/22/92/84/609229284.db2.gz WJKANHFJKAKZNC-QWRGUYRKSA-N -1 3 384.318 0.180 20 0 GCADHM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431252 609229286 /nfs/dbraw/zinc/22/92/86/609229286.db2.gz WJKANHFJKAKZNC-QWRGUYRKSA-N -1 3 384.318 0.180 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431978 609230147 /nfs/dbraw/zinc/23/01/47/609230147.db2.gz PIRRKMJTUOBZFK-GDBMZVCRSA-N -1 3 396.382 0.961 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431978 609230148 /nfs/dbraw/zinc/23/01/48/609230148.db2.gz PIRRKMJTUOBZFK-GDBMZVCRSA-N -1 3 396.382 0.961 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000826398445 609230449 /nfs/dbraw/zinc/23/04/49/609230449.db2.gz WWUHCCGCMRDQJI-NVXWUHKLSA-N -1 3 384.440 0.904 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000826398445 609230451 /nfs/dbraw/zinc/23/04/51/609230451.db2.gz WWUHCCGCMRDQJI-NVXWUHKLSA-N -1 3 384.440 0.904 20 0 GCADHM O=C(N[C@H]1CS(=O)(=O)c2ccccc21)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432738 609233394 /nfs/dbraw/zinc/23/33/94/609233394.db2.gz JIAKYRQWARLKEF-ZFWWWQNUSA-N -1 3 385.405 0.545 20 0 GCADHM O=C(N[C@H]1CS(=O)(=O)c2ccccc21)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432738 609233395 /nfs/dbraw/zinc/23/33/95/609233395.db2.gz JIAKYRQWARLKEF-ZFWWWQNUSA-N -1 3 385.405 0.545 20 0 GCADHM CN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000825812716 609233833 /nfs/dbraw/zinc/23/38/33/609233833.db2.gz RPAPREGUMNAWML-WBVHZDCISA-N -1 3 394.439 0.818 20 0 GCADHM CN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000825812716 609233834 /nfs/dbraw/zinc/23/38/34/609233834.db2.gz RPAPREGUMNAWML-WBVHZDCISA-N -1 3 394.439 0.818 20 0 GCADHM Cc1cc(C(=O)NCCn2cnnc2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826338091 609234373 /nfs/dbraw/zinc/23/43/73/609234373.db2.gz KWLPVBRSOXBTFH-UHFFFAOYSA-N -1 3 378.400 0.691 20 0 GCADHM Cc1cc(C(=O)NCCn2cnnc2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826338091 609234375 /nfs/dbraw/zinc/23/43/75/609234375.db2.gz KWLPVBRSOXBTFH-UHFFFAOYSA-N -1 3 378.400 0.691 20 0 GCADHM CN(CC(=O)NCc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825892282 609235498 /nfs/dbraw/zinc/23/54/98/609235498.db2.gz IPCCQCNMCSFQGD-KRWDZBQOSA-N -1 3 380.408 0.675 20 0 GCADHM CN(CC(=O)NCc1ccccc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825892282 609235499 /nfs/dbraw/zinc/23/54/99/609235499.db2.gz IPCCQCNMCSFQGD-KRWDZBQOSA-N -1 3 380.408 0.675 20 0 GCADHM O=C(NCCCOCC1CCOCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436614 609236181 /nfs/dbraw/zinc/23/61/81/609236181.db2.gz ARRLDABWINTGDR-INIZCTEOSA-N -1 3 375.429 0.850 20 0 GCADHM O=C(NCCCOCC1CCOCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436614 609236182 /nfs/dbraw/zinc/23/61/82/609236182.db2.gz ARRLDABWINTGDR-INIZCTEOSA-N -1 3 375.429 0.850 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826417049 609236565 /nfs/dbraw/zinc/23/65/65/609236565.db2.gz BPLJORKDRFCFSZ-CQSZACIVSA-N -1 3 375.385 0.284 20 0 GCADHM C[C@@H]1CN=C(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)S1 ZINC000824999593 609237673 /nfs/dbraw/zinc/23/76/73/609237673.db2.gz IHGSUTKJNLMPBU-RISCZKNCSA-N -1 3 387.469 0.536 20 0 GCADHM C[C@@H]1CN=C(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)S1 ZINC000824999593 609237675 /nfs/dbraw/zinc/23/76/75/609237675.db2.gz IHGSUTKJNLMPBU-RISCZKNCSA-N -1 3 387.469 0.536 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826090205 609239417 /nfs/dbraw/zinc/23/94/17/609239417.db2.gz DGCBZIYUORGWLI-CQSZACIVSA-N -1 3 394.457 0.318 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000826392884 609240224 /nfs/dbraw/zinc/24/02/24/609240224.db2.gz RELAQGLVANUOGB-IUODEOHRSA-N -1 3 396.411 0.128 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000826392884 609240225 /nfs/dbraw/zinc/24/02/25/609240225.db2.gz RELAQGLVANUOGB-IUODEOHRSA-N -1 3 396.411 0.128 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000826323998 609241827 /nfs/dbraw/zinc/24/18/27/609241827.db2.gz ANBZYUAXJMKSBN-HZPDHXFCSA-N -1 3 398.427 0.036 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000826323998 609241828 /nfs/dbraw/zinc/24/18/28/609241828.db2.gz ANBZYUAXJMKSBN-HZPDHXFCSA-N -1 3 398.427 0.036 20 0 GCADHM CN1C(=O)COc2ccc(NC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000826018362 609242477 /nfs/dbraw/zinc/24/24/77/609242477.db2.gz WVLPMLMVPUUSJS-MRXNPFEDSA-N -1 3 380.364 0.894 20 0 GCADHM CN1C(=O)COc2ccc(NC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000826018362 609242479 /nfs/dbraw/zinc/24/24/79/609242479.db2.gz WVLPMLMVPUUSJS-MRXNPFEDSA-N -1 3 380.364 0.894 20 0 GCADHM C[C@@H](N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)F ZINC000824465740 609244759 /nfs/dbraw/zinc/24/47/59/609244759.db2.gz RSTNVTAMQKCTJN-ZWNOBZJWSA-N -1 3 384.362 0.995 20 0 GCADHM C[C@@H](N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)F ZINC000824465740 609244760 /nfs/dbraw/zinc/24/47/60/609244760.db2.gz RSTNVTAMQKCTJN-ZWNOBZJWSA-N -1 3 384.362 0.995 20 0 GCADHM Cn1cc([C@@]2(C)CN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000826359491 609247798 /nfs/dbraw/zinc/24/77/98/609247798.db2.gz INKKJDIITSRGGB-MAUKXSAKSA-N -1 3 383.412 0.408 20 0 GCADHM Cn1cc([C@@]2(C)CN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000826359491 609247799 /nfs/dbraw/zinc/24/77/99/609247799.db2.gz INKKJDIITSRGGB-MAUKXSAKSA-N -1 3 383.412 0.408 20 0 GCADHM COc1cc(OC)cc([C@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826181330 609248823 /nfs/dbraw/zinc/24/88/23/609248823.db2.gz UYYNKEMVLLCFJK-SJORKVTESA-N -1 3 399.407 0.767 20 0 GCADHM COc1cc(OC)cc([C@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826181330 609248824 /nfs/dbraw/zinc/24/88/24/609248824.db2.gz UYYNKEMVLLCFJK-SJORKVTESA-N -1 3 399.407 0.767 20 0 GCADHM COc1cc(OC)cc([C@@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826181329 609248849 /nfs/dbraw/zinc/24/88/49/609248849.db2.gz UYYNKEMVLLCFJK-IRXDYDNUSA-N -1 3 399.407 0.767 20 0 GCADHM COc1cc(OC)cc([C@@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826181329 609248850 /nfs/dbraw/zinc/24/88/50/609248850.db2.gz UYYNKEMVLLCFJK-IRXDYDNUSA-N -1 3 399.407 0.767 20 0 GCADHM O=C(NC[C@H](O)COc1cccc(F)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432454 609249298 /nfs/dbraw/zinc/24/92/98/609249298.db2.gz BFCAKMCGNCJOLP-GOEBONIOSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(NC[C@H](O)COc1cccc(F)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432454 609249299 /nfs/dbraw/zinc/24/92/99/609249299.db2.gz BFCAKMCGNCJOLP-GOEBONIOSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(NCc1cnn(CC(F)(F)F)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443276 609250370 /nfs/dbraw/zinc/25/03/70/609250370.db2.gz IXRSSMDZHCAFSD-LBPRGKRZSA-N -1 3 381.318 0.975 20 0 GCADHM O=C(NCc1cnn(CC(F)(F)F)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443276 609250371 /nfs/dbraw/zinc/25/03/71/609250371.db2.gz IXRSSMDZHCAFSD-LBPRGKRZSA-N -1 3 381.318 0.975 20 0 GCADHM O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826429579 609250437 /nfs/dbraw/zinc/25/04/37/609250437.db2.gz HUEGVOHHNMALRU-IXDOHACOSA-N -1 3 386.456 0.660 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826166727 609250660 /nfs/dbraw/zinc/25/06/60/609250660.db2.gz XXZFYHYLTQNXSK-QWHCGFSZSA-N -1 3 394.457 0.158 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826166727 609250662 /nfs/dbraw/zinc/25/06/62/609250662.db2.gz XXZFYHYLTQNXSK-QWHCGFSZSA-N -1 3 394.457 0.158 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826153717 609250866 /nfs/dbraw/zinc/25/08/66/609250866.db2.gz XRKNNRVMNLKGNK-INIZCTEOSA-N -1 3 388.428 0.044 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826153717 609250867 /nfs/dbraw/zinc/25/08/67/609250867.db2.gz XRKNNRVMNLKGNK-INIZCTEOSA-N -1 3 388.428 0.044 20 0 GCADHM Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826364233 609252289 /nfs/dbraw/zinc/25/22/89/609252289.db2.gz PBARXCITIZDUSF-HZPDHXFCSA-N -1 3 397.439 0.606 20 0 GCADHM Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826364233 609252291 /nfs/dbraw/zinc/25/22/91/609252291.db2.gz PBARXCITIZDUSF-HZPDHXFCSA-N -1 3 397.439 0.606 20 0 GCADHM Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826364231 609252557 /nfs/dbraw/zinc/25/25/57/609252557.db2.gz PBARXCITIZDUSF-CVEARBPZSA-N -1 3 397.439 0.606 20 0 GCADHM Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826364231 609252559 /nfs/dbraw/zinc/25/25/59/609252559.db2.gz PBARXCITIZDUSF-CVEARBPZSA-N -1 3 397.439 0.606 20 0 GCADHM Cn1cc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C(F)(F)F)n1 ZINC000826361024 609254504 /nfs/dbraw/zinc/25/45/04/609254504.db2.gz IDODDOOIVBHEAP-LLVKDONJSA-N -1 3 381.318 0.969 20 0 GCADHM Cn1cc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)n1 ZINC000826361024 609254505 /nfs/dbraw/zinc/25/45/05/609254505.db2.gz IDODDOOIVBHEAP-LLVKDONJSA-N -1 3 381.318 0.969 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826160017 609255983 /nfs/dbraw/zinc/25/59/83/609255983.db2.gz BRBWPOFGSUIKNU-LSDHHAIUSA-N -1 3 390.444 0.194 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826160017 609255985 /nfs/dbraw/zinc/25/59/85/609255985.db2.gz BRBWPOFGSUIKNU-LSDHHAIUSA-N -1 3 390.444 0.194 20 0 GCADHM O=C(Nc1cccc(CN2CCOCC2)n1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456388 609259488 /nfs/dbraw/zinc/25/94/88/609259488.db2.gz BEEYXTLRXLYCGT-QGZVFWFLSA-N -1 3 395.423 0.766 20 0 GCADHM O=C(Nc1cccc(CN2CCOCC2)n1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456388 609259490 /nfs/dbraw/zinc/25/94/90/609259490.db2.gz BEEYXTLRXLYCGT-QGZVFWFLSA-N -1 3 395.423 0.766 20 0 GCADHM O=C(NCCC1CCS(=O)(=O)CC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436352 609260187 /nfs/dbraw/zinc/26/01/87/609260187.db2.gz QOOVXSGFHZFEEI-AWEZNQCLSA-N -1 3 379.442 0.231 20 0 GCADHM O=C(NCCC1CCS(=O)(=O)CC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436352 609260188 /nfs/dbraw/zinc/26/01/88/609260188.db2.gz QOOVXSGFHZFEEI-AWEZNQCLSA-N -1 3 379.442 0.231 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C(C)(C)O ZINC000824640615 609262090 /nfs/dbraw/zinc/26/20/90/609262090.db2.gz MJZRBXZFYZBFSJ-SNVBAGLBSA-N -1 3 396.473 0.199 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C(C)(C)O ZINC000824640615 609262092 /nfs/dbraw/zinc/26/20/92/609262092.db2.gz MJZRBXZFYZBFSJ-SNVBAGLBSA-N -1 3 396.473 0.199 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)C(C)(C)O ZINC000824633337 609262204 /nfs/dbraw/zinc/26/22/04/609262204.db2.gz LDBWDQQWYITQSK-SNVBAGLBSA-N -1 3 396.473 0.199 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)C(C)(C)O ZINC000824633337 609262206 /nfs/dbraw/zinc/26/22/06/609262206.db2.gz LDBWDQQWYITQSK-SNVBAGLBSA-N -1 3 396.473 0.199 20 0 GCADHM CCOCCOC1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000825600069 609265553 /nfs/dbraw/zinc/26/55/53/609265553.db2.gz YHHIXRCWGJQBPD-UHFFFAOYSA-N -1 3 398.427 0.512 20 0 GCADHM CCOCCOC1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000825600069 609265555 /nfs/dbraw/zinc/26/55/55/609265555.db2.gz YHHIXRCWGJQBPD-UHFFFAOYSA-N -1 3 398.427 0.512 20 0 GCADHM CN(C)C(=O)CCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825840870 609265699 /nfs/dbraw/zinc/26/56/99/609265699.db2.gz RFLOGWRQVPLIMZ-OAHLLOKOSA-N -1 3 399.455 0.737 20 0 GCADHM CN(C)C(=O)CCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825840870 609265701 /nfs/dbraw/zinc/26/57/01/609265701.db2.gz RFLOGWRQVPLIMZ-OAHLLOKOSA-N -1 3 399.455 0.737 20 0 GCADHM CNC(=O)C1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826050719 609265841 /nfs/dbraw/zinc/26/58/41/609265841.db2.gz BRADJAVMDNVKDB-CYBMUJFWSA-N -1 3 383.412 0.005 20 0 GCADHM CNC(=O)C1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826050719 609265842 /nfs/dbraw/zinc/26/58/42/609265842.db2.gz BRADJAVMDNVKDB-CYBMUJFWSA-N -1 3 383.412 0.005 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826392354 609265947 /nfs/dbraw/zinc/26/59/47/609265947.db2.gz VGFUQLVCVQTCBC-KBPBESRZSA-N -1 3 398.427 0.021 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826392354 609265948 /nfs/dbraw/zinc/26/59/48/609265948.db2.gz VGFUQLVCVQTCBC-KBPBESRZSA-N -1 3 398.427 0.021 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1CSC(=O)N1 ZINC000826481902 609266149 /nfs/dbraw/zinc/26/61/49/609266149.db2.gz LLRDEZYNKSZEFG-NEPJUHHUSA-N -1 3 387.425 0.303 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1CSC(=O)N1 ZINC000826481902 609266150 /nfs/dbraw/zinc/26/61/50/609266150.db2.gz LLRDEZYNKSZEFG-NEPJUHHUSA-N -1 3 387.425 0.303 20 0 GCADHM O=C(CNC(=O)Cc1ccc(O)cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826411747 609269102 /nfs/dbraw/zinc/26/91/02/609269102.db2.gz LFHJWZJYQRXOFM-UHFFFAOYSA-N -1 3 384.371 0.687 20 0 GCADHM O=C(CNC(=O)Cc1ccc(O)cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826411747 609269103 /nfs/dbraw/zinc/26/91/03/609269103.db2.gz LFHJWZJYQRXOFM-UHFFFAOYSA-N -1 3 384.371 0.687 20 0 GCADHM O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826481842 609271420 /nfs/dbraw/zinc/27/14/20/609271420.db2.gz KCSXLPVCEIOQAI-AWEZNQCLSA-N -1 3 378.396 0.837 20 0 GCADHM O=C1N[C@@H](Cc2ccccc2)C(=O)N1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826481842 609271421 /nfs/dbraw/zinc/27/14/21/609271421.db2.gz KCSXLPVCEIOQAI-AWEZNQCLSA-N -1 3 378.396 0.837 20 0 GCADHM CC(=O)NCCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)C(=O)OC(C)(C)C ZINC000823994323 609282128 /nfs/dbraw/zinc/28/21/28/609282128.db2.gz FRURBBYYLOACNP-SNVBAGLBSA-N -1 3 391.432 0.503 20 0 GCADHM CC(=O)NCCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)C(=O)OC(C)(C)C ZINC000823994323 609282129 /nfs/dbraw/zinc/28/21/29/609282129.db2.gz FRURBBYYLOACNP-SNVBAGLBSA-N -1 3 391.432 0.503 20 0 GCADHM CN(C)C(=O)N1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C(C)(C)C1 ZINC000825846365 609283473 /nfs/dbraw/zinc/28/34/73/609283473.db2.gz YIZQJWFCVYJDHL-UHFFFAOYSA-N -1 3 392.489 0.945 20 0 GCADHM CN(C)C(=O)N1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)C(C)(C)C1 ZINC000825846365 609283474 /nfs/dbraw/zinc/28/34/74/609283474.db2.gz YIZQJWFCVYJDHL-UHFFFAOYSA-N -1 3 392.489 0.945 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000825492132 609285934 /nfs/dbraw/zinc/28/59/34/609285934.db2.gz DHICUXGONXJHIR-WBMJQRKESA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000825492132 609285936 /nfs/dbraw/zinc/28/59/36/609285936.db2.gz DHICUXGONXJHIR-WBMJQRKESA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000825493886 609287083 /nfs/dbraw/zinc/28/70/83/609287083.db2.gz QCGZHVUEZQEJJQ-BBRMVZONSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC000825493886 609287085 /nfs/dbraw/zinc/28/70/85/609287085.db2.gz QCGZHVUEZQEJJQ-BBRMVZONSA-N -1 3 389.412 0.720 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824337590 609287091 /nfs/dbraw/zinc/28/70/91/609287091.db2.gz BRMMDECVEVZVDC-UHFFFAOYSA-N -1 3 393.404 0.953 20 0 GCADHM CN1C[C@@H](NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C(=O)N1 ZINC000826017177 609294996 /nfs/dbraw/zinc/29/49/96/609294996.db2.gz HTIJXWAPVSLNIW-MRXNPFEDSA-N -1 3 393.407 0.521 20 0 GCADHM CN1C[C@@H](NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C(=O)N1 ZINC000826017177 609294997 /nfs/dbraw/zinc/29/49/97/609294997.db2.gz HTIJXWAPVSLNIW-MRXNPFEDSA-N -1 3 393.407 0.521 20 0 GCADHM CCN(CCCNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000825419428 609298135 /nfs/dbraw/zinc/29/81/35/609298135.db2.gz PDHAZYWOALXDCX-UHFFFAOYSA-N -1 3 386.865 0.922 20 0 GCADHM CCN(CCCNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000825419428 609298136 /nfs/dbraw/zinc/29/81/36/609298136.db2.gz PDHAZYWOALXDCX-UHFFFAOYSA-N -1 3 386.865 0.922 20 0 GCADHM COC[C@@H](CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)OC ZINC000826149824 609302975 /nfs/dbraw/zinc/30/29/75/609302975.db2.gz PSFHHLGVWRFUCO-CQSZACIVSA-N -1 3 390.448 0.191 20 0 GCADHM COC[C@@H](CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)OC ZINC000826149824 609302977 /nfs/dbraw/zinc/30/29/77/609302977.db2.gz PSFHHLGVWRFUCO-CQSZACIVSA-N -1 3 390.448 0.191 20 0 GCADHM COC[C@H](C)NC(=O)NC(=O)CSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826149118 609308109 /nfs/dbraw/zinc/30/81/09/609308109.db2.gz ZPVXPWUAQBYVPH-ZETCQYMHSA-N -1 3 380.434 0.226 20 0 GCADHM COC[C@H](C)NC(=O)NC(=O)CSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826149118 609308111 /nfs/dbraw/zinc/30/81/11/609308111.db2.gz ZPVXPWUAQBYVPH-ZETCQYMHSA-N -1 3 380.434 0.226 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000825930671 609310144 /nfs/dbraw/zinc/31/01/44/609310144.db2.gz WEYNFNAHXMKULD-JTQLQIEISA-N -1 3 385.436 0.027 20 0 GCADHM CCN1CCN(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1 ZINC000825459766 609312731 /nfs/dbraw/zinc/31/27/31/609312731.db2.gz MVRTXOIFAWWFFM-UHFFFAOYSA-N -1 3 399.434 0.768 20 0 GCADHM CN(CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(=O)C1CC1 ZINC000825892523 609312920 /nfs/dbraw/zinc/31/29/20/609312920.db2.gz NXWKMYHAXGPGQO-UHFFFAOYSA-N -1 3 384.375 0.998 20 0 GCADHM CC(C)CN(C)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824255760 609313700 /nfs/dbraw/zinc/31/37/00/609313700.db2.gz WTZIBQZSYXNMGC-UHFFFAOYSA-N -1 3 397.480 0.960 20 0 GCADHM CC(C)CN(C)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824255760 609313702 /nfs/dbraw/zinc/31/37/02/609313702.db2.gz WTZIBQZSYXNMGC-UHFFFAOYSA-N -1 3 397.480 0.960 20 0 GCADHM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826395460 609313704 /nfs/dbraw/zinc/31/37/04/609313704.db2.gz CNAADALRCOJRPT-UHFFFAOYSA-N -1 3 398.318 0.227 20 0 GCADHM Nc1c(=O)[nH]c(=O)[nH]c1C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826395460 609313705 /nfs/dbraw/zinc/31/37/05/609313705.db2.gz CNAADALRCOJRPT-UHFFFAOYSA-N -1 3 398.318 0.227 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)C1 ZINC000824961368 609314109 /nfs/dbraw/zinc/31/41/09/609314109.db2.gz CCIQBBRMJNARGG-LBPRGKRZSA-N -1 3 395.464 0.714 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC000824961368 609314111 /nfs/dbraw/zinc/31/41/11/609314111.db2.gz CCIQBBRMJNARGG-LBPRGKRZSA-N -1 3 395.464 0.714 20 0 GCADHM COC[C@H](CNC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)OC ZINC000826149806 609314751 /nfs/dbraw/zinc/31/47/51/609314751.db2.gz PKDTWRUHCHTADR-LBPRGKRZSA-N -1 3 393.423 0.499 20 0 GCADHM COC[C@H](CNC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)OC ZINC000826149806 609314752 /nfs/dbraw/zinc/31/47/52/609314752.db2.gz PKDTWRUHCHTADR-LBPRGKRZSA-N -1 3 393.423 0.499 20 0 GCADHM CC(C)[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000824226317 609315372 /nfs/dbraw/zinc/31/53/72/609315372.db2.gz YFKHQNOOFSTXPD-MRXNPFEDSA-N -1 3 399.455 0.945 20 0 GCADHM CC(C)[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000824226317 609315373 /nfs/dbraw/zinc/31/53/73/609315373.db2.gz YFKHQNOOFSTXPD-MRXNPFEDSA-N -1 3 399.455 0.945 20 0 GCADHM COC[C@H](CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)OC ZINC000826150199 609316472 /nfs/dbraw/zinc/31/64/72/609316472.db2.gz YSOFYIFUVNDRQC-ZDUSSCGKSA-N -1 3 375.433 0.360 20 0 GCADHM COC[C@H](CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)OC ZINC000826150199 609316474 /nfs/dbraw/zinc/31/64/74/609316474.db2.gz YSOFYIFUVNDRQC-ZDUSSCGKSA-N -1 3 375.433 0.360 20 0 GCADHM COC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F)OC ZINC000826149940 609318142 /nfs/dbraw/zinc/31/81/42/609318142.db2.gz SFDCMDPSSMLECS-VIFPVBQESA-N -1 3 395.363 0.825 20 0 GCADHM COC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)OC ZINC000826149940 609318144 /nfs/dbraw/zinc/31/81/44/609318144.db2.gz SFDCMDPSSMLECS-VIFPVBQESA-N -1 3 395.363 0.825 20 0 GCADHM CN(C)C(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825841701 609318453 /nfs/dbraw/zinc/31/84/53/609318453.db2.gz ZBAVLZOESNCKFU-UHFFFAOYSA-N -1 3 396.448 0.885 20 0 GCADHM CN(C)C(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825841701 609318454 /nfs/dbraw/zinc/31/84/54/609318454.db2.gz ZBAVLZOESNCKFU-UHFFFAOYSA-N -1 3 396.448 0.885 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCOC1 ZINC000825492997 609318528 /nfs/dbraw/zinc/31/85/28/609318528.db2.gz JKKWFTHTEJQZKY-JSGCOSHPSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000825492997 609318530 /nfs/dbraw/zinc/31/85/30/609318530.db2.gz JKKWFTHTEJQZKY-JSGCOSHPSA-N -1 3 395.441 0.503 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826128317 609328692 /nfs/dbraw/zinc/32/86/92/609328692.db2.gz CGKHGFIJFZLHJU-RNCFNFMXSA-N -1 3 399.404 0.347 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826129412 609328993 /nfs/dbraw/zinc/32/89/93/609328993.db2.gz RFXNKGZSQLZNMM-NWDGAFQWSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826129412 609328995 /nfs/dbraw/zinc/32/89/95/609328995.db2.gz RFXNKGZSQLZNMM-NWDGAFQWSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826128480 609329155 /nfs/dbraw/zinc/32/91/55/609329155.db2.gz DOMUESPLSYQBPO-JQWIXIFHSA-N -1 3 399.404 0.347 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826129670 609344726 /nfs/dbraw/zinc/34/47/26/609344726.db2.gz YDPIRPACOGEBAV-KGLIPLIRSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826128273 609346253 /nfs/dbraw/zinc/34/62/53/609346253.db2.gz AZYKZZBWADUVEU-OCCSQVGLSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826128273 609346255 /nfs/dbraw/zinc/34/62/55/609346255.db2.gz AZYKZZBWADUVEU-OCCSQVGLSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826128664 609346577 /nfs/dbraw/zinc/34/65/77/609346577.db2.gz GDLFOGVWVRMAAG-OBJOEFQTSA-N -1 3 389.412 0.813 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826128664 609346580 /nfs/dbraw/zinc/34/65/80/609346580.db2.gz GDLFOGVWVRMAAG-OBJOEFQTSA-N -1 3 389.412 0.813 20 0 GCADHM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000825907831 609356936 /nfs/dbraw/zinc/35/69/36/609356936.db2.gz BNCREWFFOSXWQX-FZMZJTMJSA-N -1 3 376.392 0.954 20 0 GCADHM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000825907831 609356939 /nfs/dbraw/zinc/35/69/39/609356939.db2.gz BNCREWFFOSXWQX-FZMZJTMJSA-N -1 3 376.392 0.954 20 0 GCADHM C[C@@H]1CC(=O)NCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824864402 609358050 /nfs/dbraw/zinc/35/80/50/609358050.db2.gz BDALGGGIKYZHDS-SNVBAGLBSA-N -1 3 399.390 0.934 20 0 GCADHM CN(C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@H]1CCNC1=O ZINC000825820577 609358600 /nfs/dbraw/zinc/35/86/00/609358600.db2.gz LJBRNOGWVWXLCB-NSHDSACASA-N -1 3 385.363 0.544 20 0 GCADHM CN1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCC1=O ZINC000826016892 609358726 /nfs/dbraw/zinc/35/87/26/609358726.db2.gz HPGFECPHWWDPAE-JTQLQIEISA-N -1 3 399.390 0.934 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1CCn2cnnc2C1 ZINC000826458363 609360213 /nfs/dbraw/zinc/36/02/13/609360213.db2.gz MXZRTULOGHHDMJ-UHFFFAOYSA-N -1 3 395.362 0.831 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N[C@H]1CCCNC1=O ZINC000826458598 609360229 /nfs/dbraw/zinc/36/02/29/609360229.db2.gz XHNPZLMUSDRKHZ-JTQLQIEISA-N -1 3 385.363 0.592 20 0 GCADHM COC[C@@H](O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826152188 609361358 /nfs/dbraw/zinc/36/13/58/609361358.db2.gz SPBFSRFFFNGELR-JTQLQIEISA-N -1 3 390.379 0.710 20 0 GCADHM COC[C@@H](CCO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826149726 609364306 /nfs/dbraw/zinc/36/43/06/609364306.db2.gz NNGUCWYWPWBAQX-SNVBAGLBSA-N -1 3 390.379 0.710 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(CC(=O)N(C)C)CC2)c1-c1nnn[n-]1 ZINC000826298648 609368446 /nfs/dbraw/zinc/36/84/46/609368446.db2.gz BLWPMDRBZBXAMB-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(CC(=O)N(C)C)CC2)c1-c1nn[n-]n1 ZINC000826298648 609368449 /nfs/dbraw/zinc/36/84/49/609368449.db2.gz BLWPMDRBZBXAMB-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826129593 609368556 /nfs/dbraw/zinc/36/85/56/609368556.db2.gz VYYXBRGLGMGVTI-GJZGRUSLSA-N -1 3 388.428 0.848 20 0 GCADHM COC[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)OC ZINC000826149298 609368923 /nfs/dbraw/zinc/36/89/23/609368923.db2.gz FBGOIKTYAXPSJE-LBPRGKRZSA-N -1 3 392.416 0.370 20 0 GCADHM COC[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)OC ZINC000826149298 609368924 /nfs/dbraw/zinc/36/89/24/609368924.db2.gz FBGOIKTYAXPSJE-LBPRGKRZSA-N -1 3 392.416 0.370 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826129470 609369054 /nfs/dbraw/zinc/36/90/54/609369054.db2.gz SWLGMOIGMMCFKW-IMJJTQAJSA-N -1 3 391.428 0.259 20 0 GCADHM O=C(NCCCF)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826437026 609369375 /nfs/dbraw/zinc/36/93/75/609369375.db2.gz SVOPJJBCBWOQOL-UHFFFAOYSA-N -1 3 376.327 0.606 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(=O)N[C@H]1CCOC1 ZINC000826458199 609369904 /nfs/dbraw/zinc/36/99/04/609369904.db2.gz HPTCLYZCIUVDSN-VIFPVBQESA-N -1 3 386.347 0.035 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC000826393591 609381498 /nfs/dbraw/zinc/38/14/98/609381498.db2.gz ZLMNUPPYZOLGMB-UHFFFAOYSA-N -1 3 396.386 0.462 20 0 GCADHM Cc1nnc(N2CC(S(=O)(=O)NC3CCCC3)C2)c(-c2nnn[n-]2)c1C ZINC000826335747 609386009 /nfs/dbraw/zinc/38/60/09/609386009.db2.gz AAOOMGSHSMTBHN-UHFFFAOYSA-N -1 3 378.462 0.324 20 0 GCADHM Cc1nnc(N2CC(S(=O)(=O)NC3CCCC3)C2)c(-c2nn[n-]n2)c1C ZINC000826335747 609386010 /nfs/dbraw/zinc/38/60/10/609386010.db2.gz AAOOMGSHSMTBHN-UHFFFAOYSA-N -1 3 378.462 0.324 20 0 GCADHM O=C(OC[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826463235 609389227 /nfs/dbraw/zinc/38/92/27/609389227.db2.gz XCEYIPZODVDRGP-IUODEOHRSA-N -1 3 391.453 0.813 20 0 GCADHM CC[C@@](C)(CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825042838 609396549 /nfs/dbraw/zinc/39/65/49/609396549.db2.gz ACTNDHCORGAQDI-ZBEGNZNMSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@@](C)(CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825042838 609396551 /nfs/dbraw/zinc/39/65/51/609396551.db2.gz ACTNDHCORGAQDI-ZBEGNZNMSA-N -1 3 396.473 0.201 20 0 GCADHM COC[C@@](C)(CCO)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826148331 609397228 /nfs/dbraw/zinc/39/72/28/609397228.db2.gz FZHDHLAKNGWSES-GOSISDBHSA-N -1 3 390.444 0.879 20 0 GCADHM COC[C@@](C)(CCO)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826148331 609397230 /nfs/dbraw/zinc/39/72/30/609397230.db2.gz FZHDHLAKNGWSES-GOSISDBHSA-N -1 3 390.444 0.879 20 0 GCADHM CN1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CC1=O ZINC000826045306 609397262 /nfs/dbraw/zinc/39/72/62/609397262.db2.gz UGBYGSHPKYKLNC-UHFFFAOYSA-N -1 3 376.320 0.306 20 0 GCADHM CN1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1=O ZINC000826045306 609397264 /nfs/dbraw/zinc/39/72/64/609397264.db2.gz UGBYGSHPKYKLNC-UHFFFAOYSA-N -1 3 376.320 0.306 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826129200 609398852 /nfs/dbraw/zinc/39/88/52/609398852.db2.gz MBMDUYKXBBYXJI-GXSJLCMTSA-N -1 3 380.792 0.708 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826129200 609398854 /nfs/dbraw/zinc/39/88/54/609398854.db2.gz MBMDUYKXBBYXJI-GXSJLCMTSA-N -1 3 380.792 0.708 20 0 GCADHM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824773143 609404104 /nfs/dbraw/zinc/40/41/04/609404104.db2.gz YQEKVZHTUGYBGO-GUYCJALGSA-N -1 3 394.435 0.877 20 0 GCADHM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824773143 609404106 /nfs/dbraw/zinc/40/41/06/609404106.db2.gz YQEKVZHTUGYBGO-GUYCJALGSA-N -1 3 394.435 0.877 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000826358461 609404596 /nfs/dbraw/zinc/40/45/96/609404596.db2.gz VFQVBQLIYLJYFF-UHFFFAOYSA-N -1 3 378.190 0.919 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cn(C)cc(Br)c1=O ZINC000826358461 609404599 /nfs/dbraw/zinc/40/45/99/609404599.db2.gz VFQVBQLIYLJYFF-UHFFFAOYSA-N -1 3 378.190 0.919 20 0 GCADHM COC[C@@H](NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C)C(=O)OC ZINC000826151328 609404855 /nfs/dbraw/zinc/40/48/55/609404855.db2.gz ZAMBWGDRSALUKR-OCCSQVGLSA-N -1 3 377.401 0.574 20 0 GCADHM COC[C@@H](NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C)C(=O)OC ZINC000826151328 609404857 /nfs/dbraw/zinc/40/48/57/609404857.db2.gz ZAMBWGDRSALUKR-OCCSQVGLSA-N -1 3 377.401 0.574 20 0 GCADHM Cn1c(CO)nnc1S[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826355388 609408981 /nfs/dbraw/zinc/40/89/81/609408981.db2.gz XNHSQZOTWKMSFJ-GFCCVEGCSA-N -1 3 386.441 0.775 20 0 GCADHM Cn1c(CO)nnc1S[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826355388 609408983 /nfs/dbraw/zinc/40/89/83/609408983.db2.gz XNHSQZOTWKMSFJ-GFCCVEGCSA-N -1 3 386.441 0.775 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cn(C)c1=O ZINC000826269581 609414528 /nfs/dbraw/zinc/41/45/28/609414528.db2.gz PYXFDQYACRSKOA-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cn(C)c1=O ZINC000826269581 609414530 /nfs/dbraw/zinc/41/45/30/609414530.db2.gz PYXFDQYACRSKOA-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826256702 609414666 /nfs/dbraw/zinc/41/46/66/609414666.db2.gz WUBURIASTLMORO-UHFFFAOYSA-N -1 3 397.395 0.008 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cn(C)c(=O)cc2C)cc1-c1nnn[n-]1 ZINC000826196121 609414975 /nfs/dbraw/zinc/41/49/75/609414975.db2.gz QJADCWLFLNQWHS-UHFFFAOYSA-N -1 3 397.395 0.137 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cn(C)c(=O)cc2C)cc1-c1nn[n-]n1 ZINC000826196121 609414977 /nfs/dbraw/zinc/41/49/77/609414977.db2.gz QJADCWLFLNQWHS-UHFFFAOYSA-N -1 3 397.395 0.137 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826471272 609417154 /nfs/dbraw/zinc/41/71/54/609417154.db2.gz UERFOTXTGJZIQY-GFCCVEGCSA-N -1 3 393.473 0.661 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826471272 609417157 /nfs/dbraw/zinc/41/71/57/609417157.db2.gz UERFOTXTGJZIQY-GFCCVEGCSA-N -1 3 393.473 0.661 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)S(N)(=O)=O)c1-c1nnn[n-]1 ZINC000826231751 609418240 /nfs/dbraw/zinc/41/82/40/609418240.db2.gz YGQQRQDJOBACOF-SSDOTTSWSA-N -1 3 397.486 0.268 20 0 GCADHM Cc1nnc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c(-c2nnn[n-]2)c1C ZINC000826336307 609428651 /nfs/dbraw/zinc/42/86/51/609428651.db2.gz ULDDZTFLGBHXBU-UHFFFAOYSA-N -1 3 381.400 0.337 20 0 GCADHM Cc1nnc(N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)c(-c2nn[n-]n2)c1C ZINC000826336307 609428652 /nfs/dbraw/zinc/42/86/52/609428652.db2.gz ULDDZTFLGBHXBU-UHFFFAOYSA-N -1 3 381.400 0.337 20 0 GCADHM CC(C)Cn1ncnc1CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824284387 609429509 /nfs/dbraw/zinc/42/95/09/609429509.db2.gz HPMVDBZXRMPMQF-UHFFFAOYSA-N -1 3 376.446 0.935 20 0 GCADHM CC(C)Cn1ncnc1CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824284387 609429511 /nfs/dbraw/zinc/42/95/11/609429511.db2.gz HPMVDBZXRMPMQF-UHFFFAOYSA-N -1 3 376.446 0.935 20 0 GCADHM CNC(=O)[C@@H]1CN(Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CCO1 ZINC000826060667 609431355 /nfs/dbraw/zinc/43/13/55/609431355.db2.gz QLDRQPRLZWSTII-HNNXBMFYSA-N -1 3 382.428 0.308 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000826279468 609437363 /nfs/dbraw/zinc/43/73/63/609437363.db2.gz QWJMJHVMNOUDOF-UONOGXRCSA-N -1 3 391.453 0.934 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000826279468 609437365 /nfs/dbraw/zinc/43/73/65/609437365.db2.gz QWJMJHVMNOUDOF-UONOGXRCSA-N -1 3 391.453 0.934 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000826279314 609446488 /nfs/dbraw/zinc/44/64/88/609446488.db2.gz MRSNIGJCEYVKFP-CYBMUJFWSA-N -1 3 388.457 0.868 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000826279314 609446489 /nfs/dbraw/zinc/44/64/89/609446489.db2.gz MRSNIGJCEYVKFP-CYBMUJFWSA-N -1 3 388.457 0.868 20 0 GCADHM CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825986101 609450925 /nfs/dbraw/zinc/45/09/25/609450925.db2.gz ODKJGJHMMMUYJB-ZDUSSCGKSA-N -1 3 387.425 0.962 20 0 GCADHM CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825986101 609450927 /nfs/dbraw/zinc/45/09/27/609450927.db2.gz ODKJGJHMMMUYJB-ZDUSSCGKSA-N -1 3 387.425 0.962 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCNC(=O)C1 ZINC000826481478 609451194 /nfs/dbraw/zinc/45/11/94/609451194.db2.gz WDVMKDOUAJQBPZ-UHFFFAOYSA-N -1 3 386.359 0.936 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCNC(=O)C1 ZINC000826481478 609451196 /nfs/dbraw/zinc/45/11/96/609451196.db2.gz WDVMKDOUAJQBPZ-UHFFFAOYSA-N -1 3 386.359 0.936 20 0 GCADHM NC(=O)[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000826389095 609451250 /nfs/dbraw/zinc/45/12/50/609451250.db2.gz PTJLMYQPRYEZTN-NSHDSACASA-N -1 3 390.201 0.914 20 0 GCADHM NC(=O)[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000826389095 609451254 /nfs/dbraw/zinc/45/12/54/609451254.db2.gz PTJLMYQPRYEZTN-NSHDSACASA-N -1 3 390.201 0.914 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1=NNC(=O)CC1 ZINC000826479738 609460158 /nfs/dbraw/zinc/46/01/58/609460158.db2.gz GYHMCSQMSBTZGE-CYBMUJFWSA-N -1 3 383.368 0.171 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1=NNC(=O)CC1 ZINC000826479738 609460160 /nfs/dbraw/zinc/46/01/60/609460160.db2.gz GYHMCSQMSBTZGE-CYBMUJFWSA-N -1 3 383.368 0.171 20 0 GCADHM O=S(=O)(NCCNc1nc2ccccn2c1-c1nnn[n-]1)c1ccccc1 ZINC000826491678 609460492 /nfs/dbraw/zinc/46/04/92/609460492.db2.gz VMOXMEDGFFOJIO-UHFFFAOYSA-N -1 3 384.425 0.905 20 0 GCADHM O=S(=O)(NCCNc1nc2ccccn2c1-c1nn[n-]n1)c1ccccc1 ZINC000826491678 609460494 /nfs/dbraw/zinc/46/04/94/609460494.db2.gz VMOXMEDGFFOJIO-UHFFFAOYSA-N -1 3 384.425 0.905 20 0 GCADHM COC(=O)[C@@H]1CC(=O)N(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000826129708 609462292 /nfs/dbraw/zinc/46/22/92/609462292.db2.gz YWXJLUVTMZDSGD-CABCVRRESA-N -1 3 386.412 0.219 20 0 GCADHM COC(=O)[C@@H]1CC(=O)N(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000826129708 609462294 /nfs/dbraw/zinc/46/22/94/609462294.db2.gz YWXJLUVTMZDSGD-CABCVRRESA-N -1 3 386.412 0.219 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(=O)NCC1CC1 ZINC000826158296 609462705 /nfs/dbraw/zinc/46/27/05/609462705.db2.gz JIIQMIIOTKYFHN-UHFFFAOYSA-N -1 3 387.444 0.551 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)NCC1CC1 ZINC000826158296 609462706 /nfs/dbraw/zinc/46/27/06/609462706.db2.gz JIIQMIIOTKYFHN-UHFFFAOYSA-N -1 3 387.444 0.551 20 0 GCADHM C[C@@H](C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)S(C)(=O)=O ZINC000824053139 609464037 /nfs/dbraw/zinc/46/40/37/609464037.db2.gz VDAJHFQMFHSMOO-GXFFZTMASA-N -1 3 393.425 0.338 20 0 GCADHM C[C@@H](C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)S(C)(=O)=O ZINC000824053139 609464039 /nfs/dbraw/zinc/46/40/39/609464039.db2.gz VDAJHFQMFHSMOO-GXFFZTMASA-N -1 3 393.425 0.338 20 0 GCADHM CN1C[C@H](C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826018323 609464949 /nfs/dbraw/zinc/46/49/49/609464949.db2.gz VWOOATNBHBMLHV-TZMCWYRMSA-N -1 3 384.396 0.384 20 0 GCADHM CN1C[C@H](C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826018323 609464952 /nfs/dbraw/zinc/46/49/52/609464952.db2.gz VWOOATNBHBMLHV-TZMCWYRMSA-N -1 3 384.396 0.384 20 0 GCADHM CS(=O)(=O)N1CCC(CNc2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826223491 609466345 /nfs/dbraw/zinc/46/63/45/609466345.db2.gz OHCWGGREAYWPTM-UHFFFAOYSA-N -1 3 376.446 0.598 20 0 GCADHM CS(=O)(=O)N1CCC(CNc2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826223491 609466348 /nfs/dbraw/zinc/46/63/48/609466348.db2.gz OHCWGGREAYWPTM-UHFFFAOYSA-N -1 3 376.446 0.598 20 0 GCADHM O=C1CN(CN2CCOCC3(CC3)C2)C(=O)N1Cc1ccccc1-c1nnn[n-]1 ZINC000826481248 609467355 /nfs/dbraw/zinc/46/73/55/609467355.db2.gz MRQSEERENCGIJQ-UHFFFAOYSA-N -1 3 397.439 0.701 20 0 GCADHM O=C1CN(CN2CCOCC3(CC3)C2)C(=O)N1Cc1ccccc1-c1nn[n-]n1 ZINC000826481248 609467356 /nfs/dbraw/zinc/46/73/56/609467356.db2.gz MRQSEERENCGIJQ-UHFFFAOYSA-N -1 3 397.439 0.701 20 0 GCADHM C[C@H](O)c1cn(C2CN(C(=O)[C@H](C)Oc3ccccc3-c3nnn[n-]3)C2)nn1 ZINC000824744620 609471374 /nfs/dbraw/zinc/47/13/74/609471374.db2.gz CITVTQBJUZTXJW-QWRGUYRKSA-N -1 3 384.400 0.362 20 0 GCADHM C[C@H](O)c1cn(C2CN(C(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC000824744620 609471376 /nfs/dbraw/zinc/47/13/76/609471376.db2.gz CITVTQBJUZTXJW-QWRGUYRKSA-N -1 3 384.400 0.362 20 0 GCADHM Cc1nc(C)c(-c2nnn[n-]2)c(SCC(=O)NCC(=O)OC(C)(C)C)n1 ZINC000826324433 609486941 /nfs/dbraw/zinc/48/69/41/609486941.db2.gz QHIOKFRDQKEPBT-UHFFFAOYSA-N -1 3 379.446 0.824 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(CC(=O)Nc3nncs3)CC2)n1 ZINC000826274709 609489432 /nfs/dbraw/zinc/48/94/32/609489432.db2.gz BLXSMQPNZCYYGM-UHFFFAOYSA-N -1 3 386.445 0.182 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(CC(=O)Nc3nncs3)CC2)n1 ZINC000826274709 609489436 /nfs/dbraw/zinc/48/94/36/609489436.db2.gz BLXSMQPNZCYYGM-UHFFFAOYSA-N -1 3 386.445 0.182 20 0 GCADHM COCc1nc([C@@H]2COCCN2Cc2cnc3ccc(-c4nnn[n-]4)cn23)no1 ZINC000826165505 609494954 /nfs/dbraw/zinc/49/49/54/609494954.db2.gz YDETVAPVLUZPQH-ZDUSSCGKSA-N -1 3 397.399 0.617 20 0 GCADHM COCc1nc([C@@H]2COCCN2Cc2cnc3ccc(-c4nn[n-]n4)cn23)no1 ZINC000826165505 609494955 /nfs/dbraw/zinc/49/49/55/609494955.db2.gz YDETVAPVLUZPQH-ZDUSSCGKSA-N -1 3 397.399 0.617 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)no1 ZINC000826325051 609497525 /nfs/dbraw/zinc/49/75/25/609497525.db2.gz MJDAYOFKVOVKFL-GFCCVEGCSA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)no1 ZINC000826325238 609497907 /nfs/dbraw/zinc/49/79/07/609497907.db2.gz RRFVQNSRCAASIQ-NSHDSACASA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)no1 ZINC000826325460 609498233 /nfs/dbraw/zinc/49/82/33/609498233.db2.gz YLTXTJKOKCSJGE-GFCCVEGCSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)no1 ZINC000826325460 609498236 /nfs/dbraw/zinc/49/82/36/609498236.db2.gz YLTXTJKOKCSJGE-GFCCVEGCSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)CCO2)no1 ZINC000826325364 609498279 /nfs/dbraw/zinc/49/82/79/609498279.db2.gz VFTHJSNJUWHCNT-NSHDSACASA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)CCO2)no1 ZINC000826325364 609498280 /nfs/dbraw/zinc/49/82/80/609498280.db2.gz VFTHJSNJUWHCNT-NSHDSACASA-N -1 3 391.413 0.629 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000825883778 609499343 /nfs/dbraw/zinc/49/93/43/609499343.db2.gz NNWCOMRKOOFDOS-UHFFFAOYSA-N -1 3 393.455 0.681 20 0 GCADHM O=C(CC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)NCC(F)(F)F ZINC000826404261 609501351 /nfs/dbraw/zinc/50/13/51/609501351.db2.gz UNMQXZIVGXDSKN-GFCCVEGCSA-N -1 3 398.345 0.835 20 0 GCADHM O=C(CC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)NCC(F)(F)F ZINC000826404261 609501352 /nfs/dbraw/zinc/50/13/52/609501352.db2.gz UNMQXZIVGXDSKN-GFCCVEGCSA-N -1 3 398.345 0.835 20 0 GCADHM CC(C)c1nc([C@H]2CN(C(=O)CNc3ccc(-c4nnn[n-]4)cn3)CCO2)no1 ZINC000824358192 609502131 /nfs/dbraw/zinc/50/21/31/609502131.db2.gz BIRZSKOZRCXFTK-GFCCVEGCSA-N -1 3 399.415 0.780 20 0 GCADHM CC(C)c1nc([C@H]2CN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CCO2)no1 ZINC000824358192 609502134 /nfs/dbraw/zinc/50/21/34/609502134.db2.gz BIRZSKOZRCXFTK-GFCCVEGCSA-N -1 3 399.415 0.780 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259149 609512966 /nfs/dbraw/zinc/51/29/66/609512966.db2.gz JKORDYUDOXVUIK-LBPRGKRZSA-N -1 3 387.425 0.278 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259149 609512968 /nfs/dbraw/zinc/51/29/68/609512968.db2.gz JKORDYUDOXVUIK-LBPRGKRZSA-N -1 3 387.425 0.278 20 0 GCADHM Cc1cc(C(=O)Nc2cnn(CC(N)=O)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260826 609530184 /nfs/dbraw/zinc/53/01/84/609530184.db2.gz GHHBTOXFIRMFOW-UHFFFAOYSA-N -1 3 392.383 0.295 20 0 GCADHM Cc1cc(C(=O)Nc2cnn(CC(N)=O)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260826 609530186 /nfs/dbraw/zinc/53/01/86/609530186.db2.gz GHHBTOXFIRMFOW-UHFFFAOYSA-N -1 3 392.383 0.295 20 0 GCADHM C[C@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCS(=O)(=O)C1 ZINC000824838909 609534132 /nfs/dbraw/zinc/53/41/32/609534132.db2.gz WOEOUSBHYDZDDO-LBPRGKRZSA-N -1 3 391.862 0.376 20 0 GCADHM C[C@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCS(=O)(=O)C1 ZINC000824838909 609534134 /nfs/dbraw/zinc/53/41/34/609534134.db2.gz WOEOUSBHYDZDDO-LBPRGKRZSA-N -1 3 391.862 0.376 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c1-c1nnn[n-]1 ZINC000826237700 609535836 /nfs/dbraw/zinc/53/58/36/609535836.db2.gz IXBPKZLBNKYCSF-UHFFFAOYSA-N -1 3 390.835 0.151 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)c1-c1nn[n-]n1 ZINC000826237700 609535838 /nfs/dbraw/zinc/53/58/38/609535838.db2.gz IXBPKZLBNKYCSF-UHFFFAOYSA-N -1 3 390.835 0.151 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826428820 609537067 /nfs/dbraw/zinc/53/70/67/609537067.db2.gz MGNBVWUVTUYTOI-GFCCVEGCSA-N -1 3 396.860 0.952 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826428820 609537068 /nfs/dbraw/zinc/53/70/68/609537068.db2.gz MGNBVWUVTUYTOI-GFCCVEGCSA-N -1 3 396.860 0.952 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)N1CCOCC1 ZINC000824427410 609537778 /nfs/dbraw/zinc/53/77/78/609537778.db2.gz MTUPVRDEOIEIAN-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)N1CCOCC1 ZINC000824427410 609537779 /nfs/dbraw/zinc/53/77/79/609537779.db2.gz MTUPVRDEOIEIAN-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000823987745 609537896 /nfs/dbraw/zinc/53/78/96/609537896.db2.gz BNDMCWVMRHWXFE-LLVKDONJSA-N -1 3 384.849 0.809 20 0 GCADHM CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000823987745 609537899 /nfs/dbraw/zinc/53/78/99/609537899.db2.gz BNDMCWVMRHWXFE-LLVKDONJSA-N -1 3 384.849 0.809 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824909862 609538877 /nfs/dbraw/zinc/53/88/77/609538877.db2.gz VKVURSDALWYUKM-WCBMZHEXSA-N -1 3 384.849 0.795 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824909862 609538880 /nfs/dbraw/zinc/53/88/80/609538880.db2.gz VKVURSDALWYUKM-WCBMZHEXSA-N -1 3 384.849 0.795 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC000826134703 609545632 /nfs/dbraw/zinc/54/56/32/609545632.db2.gz ZDWMEHHYMPPBGZ-CYBMUJFWSA-N -1 3 381.396 0.996 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000826134703 609545634 /nfs/dbraw/zinc/54/56/34/609545634.db2.gz ZDWMEHHYMPPBGZ-CYBMUJFWSA-N -1 3 381.396 0.996 20 0 GCADHM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826496946 609546222 /nfs/dbraw/zinc/54/62/22/609546222.db2.gz OUPQUCGLJTWGSD-VIFPVBQESA-N -1 3 391.862 0.376 20 0 GCADHM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826496946 609546224 /nfs/dbraw/zinc/54/62/24/609546224.db2.gz OUPQUCGLJTWGSD-VIFPVBQESA-N -1 3 391.862 0.376 20 0 GCADHM O=S(=O)(NCCOC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826491477 609546706 /nfs/dbraw/zinc/54/67/06/609546706.db2.gz LDTYHKOAAAIYJJ-JTQLQIEISA-N -1 3 387.849 0.852 20 0 GCADHM O=S(=O)(NCCOC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826491477 609546707 /nfs/dbraw/zinc/54/67/07/609546707.db2.gz LDTYHKOAAAIYJJ-JTQLQIEISA-N -1 3 387.849 0.852 20 0 GCADHM CSC[C@@H](CCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826228753 609550243 /nfs/dbraw/zinc/55/02/43/609550243.db2.gz YWYIWGYTTYQMRT-SECBINFHSA-N -1 3 377.879 0.912 20 0 GCADHM CSC[C@@H](CCO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826228753 609550245 /nfs/dbraw/zinc/55/02/45/609550245.db2.gz YWYIWGYTTYQMRT-SECBINFHSA-N -1 3 377.879 0.912 20 0 GCADHM COC[C@@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(=O)OC ZINC000826148933 609556747 /nfs/dbraw/zinc/55/67/47/609556747.db2.gz UPNZUBLYEMCNFG-CYBMUJFWSA-N -1 3 389.821 0.377 20 0 GCADHM COC[C@@](C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)C(=O)OC ZINC000826148933 609556750 /nfs/dbraw/zinc/55/67/50/609556750.db2.gz UPNZUBLYEMCNFG-CYBMUJFWSA-N -1 3 389.821 0.377 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825471571 609557769 /nfs/dbraw/zinc/55/77/69/609557769.db2.gz WWMAUOVNIOPOQZ-SNVBAGLBSA-N -1 3 399.864 0.602 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825471571 609557771 /nfs/dbraw/zinc/55/77/71/609557771.db2.gz WWMAUOVNIOPOQZ-SNVBAGLBSA-N -1 3 399.864 0.602 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)CS(C)(=O)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258708 609557836 /nfs/dbraw/zinc/55/78/36/609557836.db2.gz TUBPMWHPGNAJFA-JTQLQIEISA-N -1 3 389.441 0.524 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)CS(C)(=O)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258708 609557838 /nfs/dbraw/zinc/55/78/38/609557838.db2.gz TUBPMWHPGNAJFA-JTQLQIEISA-N -1 3 389.441 0.524 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)S(C)(=O)=O ZINC000824428953 609559492 /nfs/dbraw/zinc/55/94/92/609559492.db2.gz UYSDWEBLSNNRGH-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)S(C)(=O)=O ZINC000824428953 609559493 /nfs/dbraw/zinc/55/94/93/609559493.db2.gz UYSDWEBLSNNRGH-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCN([C@H]2CCOC2)CC1 ZINC000826494717 609560934 /nfs/dbraw/zinc/56/09/34/609560934.db2.gz MPFPHWWVZXVZIK-LBPRGKRZSA-N -1 3 398.876 0.615 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCN([C@H]2CCOC2)CC1 ZINC000826494717 609560937 /nfs/dbraw/zinc/56/09/37/609560937.db2.gz MPFPHWWVZXVZIK-LBPRGKRZSA-N -1 3 398.876 0.615 20 0 GCADHM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825887666 609562918 /nfs/dbraw/zinc/56/29/18/609562918.db2.gz JQZPDJAWXNPXAP-UHFFFAOYSA-N -1 3 384.849 0.939 20 0 GCADHM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825887666 609562920 /nfs/dbraw/zinc/56/29/20/609562920.db2.gz JQZPDJAWXNPXAP-UHFFFAOYSA-N -1 3 384.849 0.939 20 0 GCADHM CC(C)C(=O)NCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824184326 609563410 /nfs/dbraw/zinc/56/34/10/609563410.db2.gz GDUWHBGYRPBTPE-UHFFFAOYSA-N -1 3 386.865 0.913 20 0 GCADHM CC(C)C(=O)NCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824184326 609563411 /nfs/dbraw/zinc/56/34/11/609563411.db2.gz GDUWHBGYRPBTPE-UHFFFAOYSA-N -1 3 386.865 0.913 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259688 609563885 /nfs/dbraw/zinc/56/38/85/609563885.db2.gz ZZOHIPHQDJSTRM-CYBMUJFWSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259688 609563886 /nfs/dbraw/zinc/56/38/86/609563886.db2.gz ZZOHIPHQDJSTRM-CYBMUJFWSA-N -1 3 380.412 0.711 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCC(OCCO)CC1 ZINC000826494230 609563899 /nfs/dbraw/zinc/56/38/99/609563899.db2.gz SYEITODEZGPXKG-UHFFFAOYSA-N -1 3 387.849 0.682 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCC(OCCO)CC1 ZINC000826494230 609563902 /nfs/dbraw/zinc/56/39/02/609563902.db2.gz SYEITODEZGPXKG-UHFFFAOYSA-N -1 3 387.849 0.682 20 0 GCADHM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825248726 609564252 /nfs/dbraw/zinc/56/42/52/609564252.db2.gz XOHAGHYFXCVCHW-NSHDSACASA-N -1 3 384.849 0.809 20 0 GCADHM CCC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825248726 609564254 /nfs/dbraw/zinc/56/42/54/609564254.db2.gz XOHAGHYFXCVCHW-NSHDSACASA-N -1 3 384.849 0.809 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825176150 609564362 /nfs/dbraw/zinc/56/43/62/609564362.db2.gz HZXAGRKSUGSOAO-HNNXBMFYSA-N -1 3 380.412 0.711 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825176150 609564363 /nfs/dbraw/zinc/56/43/63/609564363.db2.gz HZXAGRKSUGSOAO-HNNXBMFYSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1ccnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1-c1nnn[n-]1 ZINC000826311176 609565051 /nfs/dbraw/zinc/56/50/51/609565051.db2.gz WIXLEIUWBPLTSB-UHFFFAOYSA-N -1 3 390.429 0.210 20 0 GCADHM Cc1ccnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1-c1nn[n-]n1 ZINC000826311176 609565052 /nfs/dbraw/zinc/56/50/52/609565052.db2.gz WIXLEIUWBPLTSB-UHFFFAOYSA-N -1 3 390.429 0.210 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826060793 609565465 /nfs/dbraw/zinc/56/54/65/609565465.db2.gz SYQBBLNFMLARHR-KOLCDFICSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826060793 609565468 /nfs/dbraw/zinc/56/54/68/609565468.db2.gz SYQBBLNFMLARHR-KOLCDFICSA-N -1 3 384.849 0.713 20 0 GCADHM O=C1CC[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)CCN12 ZINC000826480377 609565910 /nfs/dbraw/zinc/56/59/10/609565910.db2.gz ZLVWTPLZYRDOBX-JTQLQIEISA-N -1 3 382.833 0.515 20 0 GCADHM O=C1CC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)CCN12 ZINC000826480377 609565913 /nfs/dbraw/zinc/56/59/13/609565913.db2.gz ZLVWTPLZYRDOBX-JTQLQIEISA-N -1 3 382.833 0.515 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826255596 609571816 /nfs/dbraw/zinc/57/18/16/609571816.db2.gz DCHBTKSSNHLDOB-CABCVRRESA-N -1 3 392.485 0.395 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826255596 609571817 /nfs/dbraw/zinc/57/18/17/609571817.db2.gz DCHBTKSSNHLDOB-CABCVRRESA-N -1 3 392.485 0.395 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826494667 609571878 /nfs/dbraw/zinc/57/18/78/609571878.db2.gz KYQPXMNBQPPTIG-ZIAGYGMSSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826494667 609571880 /nfs/dbraw/zinc/57/18/80/609571880.db2.gz KYQPXMNBQPPTIG-ZIAGYGMSSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826495152 609572598 /nfs/dbraw/zinc/57/25/98/609572598.db2.gz DWKCFSGRJVMJIP-LSDHHAIUSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826495152 609572599 /nfs/dbraw/zinc/57/25/99/609572599.db2.gz DWKCFSGRJVMJIP-LSDHHAIUSA-N -1 3 396.448 0.226 20 0 GCADHM NC(=O)c1ccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000826393448 609575237 /nfs/dbraw/zinc/57/52/37/609575237.db2.gz SGYIYMUCZFSMDO-ZDUSSCGKSA-N -1 3 379.384 0.363 20 0 GCADHM NC(=O)c1ccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1 ZINC000826393448 609575239 /nfs/dbraw/zinc/57/52/39/609575239.db2.gz SGYIYMUCZFSMDO-ZDUSSCGKSA-N -1 3 379.384 0.363 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN3CCN2CC3)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258947 609579267 /nfs/dbraw/zinc/57/92/67/609579267.db2.gz BTPPYZJHXWZBHO-INIZCTEOSA-N -1 3 393.455 0.090 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN3CCN2CC3)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258947 609579269 /nfs/dbraw/zinc/57/92/69/609579269.db2.gz BTPPYZJHXWZBHO-INIZCTEOSA-N -1 3 393.455 0.090 20 0 GCADHM CC(C)N1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1=O ZINC000824300338 609584133 /nfs/dbraw/zinc/58/41/33/609584133.db2.gz FMNFNDDWERHWJT-UHFFFAOYSA-N -1 3 384.849 0.761 20 0 GCADHM CC(C)N1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1=O ZINC000824300652 609584421 /nfs/dbraw/zinc/58/44/21/609584421.db2.gz IOJDIPAGLYRSNT-UHFFFAOYSA-N -1 3 382.421 0.388 20 0 GCADHM CC(C)N1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1=O ZINC000824300652 609584422 /nfs/dbraw/zinc/58/44/22/609584422.db2.gz IOJDIPAGLYRSNT-UHFFFAOYSA-N -1 3 382.421 0.388 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826255601 609585269 /nfs/dbraw/zinc/58/52/69/609585269.db2.gz DEJOTKATOHTZGH-LLVKDONJSA-N -1 3 376.442 0.464 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826255601 609585271 /nfs/dbraw/zinc/58/52/71/609585271.db2.gz DEJOTKATOHTZGH-LLVKDONJSA-N -1 3 376.442 0.464 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2cccnc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477867 609585627 /nfs/dbraw/zinc/58/56/27/609585627.db2.gz NTEALZXTJVINNP-OAHLLOKOSA-N -1 3 399.436 0.736 20 0 GCADHM O=C1[C@H](NS(=O)(=O)N2CCCC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476788 609585649 /nfs/dbraw/zinc/58/56/49/609585649.db2.gz PIDSJPMSRYKBKG-CQSZACIVSA-N -1 3 391.457 0.292 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CN1C1CC1 ZINC000826478908 609585942 /nfs/dbraw/zinc/58/59/42/609585942.db2.gz LUEBULDEKRFRPA-VIFPVBQESA-N -1 3 396.860 0.809 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CN1C1CC1 ZINC000826478908 609585944 /nfs/dbraw/zinc/58/59/44/609585944.db2.gz LUEBULDEKRFRPA-VIFPVBQESA-N -1 3 396.860 0.809 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2cccnc2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477866 609585949 /nfs/dbraw/zinc/58/59/49/609585949.db2.gz NTEALZXTJVINNP-HNNXBMFYSA-N -1 3 399.436 0.736 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC([C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1 ZINC000826394325 609591305 /nfs/dbraw/zinc/59/13/05/609591305.db2.gz FYBIRYQHFVHSHU-LBPRGKRZSA-N -1 3 378.458 0.767 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC([C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1 ZINC000826394325 609591309 /nfs/dbraw/zinc/59/13/09/609591309.db2.gz FYBIRYQHFVHSHU-LBPRGKRZSA-N -1 3 378.458 0.767 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826398711 609597410 /nfs/dbraw/zinc/59/74/10/609597410.db2.gz CYSSSVYVUIWKQM-LLVKDONJSA-N -1 3 394.432 0.089 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826398711 609597414 /nfs/dbraw/zinc/59/74/14/609597414.db2.gz CYSSSVYVUIWKQM-LLVKDONJSA-N -1 3 394.432 0.089 20 0 GCADHM CC1(CNC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)COC1 ZINC000824824741 609602124 /nfs/dbraw/zinc/60/21/24/609602124.db2.gz XLRTYNKTWVJWPQ-AWEZNQCLSA-N -1 3 385.428 0.698 20 0 GCADHM CC1(CNC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)COC1 ZINC000824824741 609602126 /nfs/dbraw/zinc/60/21/26/609602126.db2.gz XLRTYNKTWVJWPQ-AWEZNQCLSA-N -1 3 385.428 0.698 20 0 GCADHM Cn1cc(CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826360381 609609142 /nfs/dbraw/zinc/60/91/42/609609142.db2.gz IMUSBDVIOMXVRD-HNNXBMFYSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1cc(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826360381 609609144 /nfs/dbraw/zinc/60/91/44/609609144.db2.gz IMUSBDVIOMXVRD-HNNXBMFYSA-N -1 3 380.412 0.455 20 0 GCADHM COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000826187310 609610423 /nfs/dbraw/zinc/61/04/23/609610423.db2.gz KROLIDCSSNXARC-AWEZNQCLSA-N -1 3 394.395 0.591 20 0 GCADHM COc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1 ZINC000826187310 609610425 /nfs/dbraw/zinc/61/04/25/609610425.db2.gz KROLIDCSSNXARC-AWEZNQCLSA-N -1 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1205925103 /nfs/dbraw/zinc/92/51/03/1205925103.db2.gz YERKRBZXBQMESW-CYBMUJFWSA-N -1 3 379.398 0.152 20 0 GCADHM CCOC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185592426 1205925395 /nfs/dbraw/zinc/92/53/95/1205925395.db2.gz KSMUWLVDUCNOHP-UHFFFAOYSA-N -1 3 380.430 0.766 20 0 GCADHM CCOC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185592426 1205925396 /nfs/dbraw/zinc/92/53/96/1205925396.db2.gz KSMUWLVDUCNOHP-UHFFFAOYSA-N -1 3 380.430 0.766 20 0 GCADHM CS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC001185613743 1205925674 /nfs/dbraw/zinc/92/56/74/1205925674.db2.gz NEOOBJVTKNFEBE-UHFFFAOYSA-N -1 3 394.438 0.144 20 0 GCADHM CS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001185613743 1205925676 /nfs/dbraw/zinc/92/56/76/1205925676.db2.gz NEOOBJVTKNFEBE-UHFFFAOYSA-N -1 3 394.438 0.144 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@]2(CCN2c2ncccn2)C1 ZINC001185578817 1205925697 /nfs/dbraw/zinc/92/56/97/1205925697.db2.gz PDIKSNYWSQFPKH-KRWDZBQOSA-N -1 3 398.452 0.700 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@]2(CCN2c2ncccn2)C1 ZINC001185578817 1205925698 /nfs/dbraw/zinc/92/56/98/1205925698.db2.gz PDIKSNYWSQFPKH-KRWDZBQOSA-N -1 3 398.452 0.700 20 0 GCADHM O=C(N1CCCC1)C12CC(C1)CN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185578165 1205925824 /nfs/dbraw/zinc/92/58/24/1205925824.db2.gz BKJNGZIOTPFJHH-UHFFFAOYSA-N -1 3 388.453 0.642 20 0 GCADHM O=C(N1CCCC1)C12CC(C1)CN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185578165 1205925826 /nfs/dbraw/zinc/92/58/26/1205925826.db2.gz BKJNGZIOTPFJHH-UHFFFAOYSA-N -1 3 388.453 0.642 20 0 GCADHM COC[C@H]1Cn2nccc2CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185583970 1205926046 /nfs/dbraw/zinc/92/60/46/1205926046.db2.gz PZVLVDYETNVKDN-GFCCVEGCSA-N -1 3 389.441 0.530 20 0 GCADHM COC[C@H]1Cn2nccc2CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185583970 1205926048 /nfs/dbraw/zinc/92/60/48/1205926048.db2.gz PZVLVDYETNVKDN-GFCCVEGCSA-N -1 3 389.441 0.530 20 0 GCADHM O=S(=O)(N[C@H]1CC[C@H](N2CCOCC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185638490 1205926339 /nfs/dbraw/zinc/92/63/39/1205926339.db2.gz UBMWADWFZGFGGO-SHTZXODSSA-N -1 3 392.485 0.788 20 0 GCADHM Cc1cc(N2CC[C@@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)ncn1 ZINC001185631472 1205926441 /nfs/dbraw/zinc/92/64/41/1205926441.db2.gz HXTYVCLAUWRNNX-CYBMUJFWSA-N -1 3 386.441 0.522 20 0 GCADHM Cc1cc(N2CC[C@@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)ncn1 ZINC001185631472 1205926443 /nfs/dbraw/zinc/92/64/43/1205926443.db2.gz HXTYVCLAUWRNNX-CYBMUJFWSA-N -1 3 386.441 0.522 20 0 GCADHM O=S(=O)(N[C@H]1CCCN(c2cnccn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185638257 1205926474 /nfs/dbraw/zinc/92/64/74/1205926474.db2.gz ORSSWWWRQWKYIV-ZDUSSCGKSA-N -1 3 386.441 0.604 20 0 GCADHM O=S(=O)(N[C@H]1CCCN(c2cnccn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185638257 1205926476 /nfs/dbraw/zinc/92/64/76/1205926476.db2.gz ORSSWWWRQWKYIV-ZDUSSCGKSA-N -1 3 386.441 0.604 20 0 GCADHM COc1ccc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001185623420 1205927137 /nfs/dbraw/zinc/92/71/37/1205927137.db2.gz HULKZIZECMFQPL-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001185623420 1205927138 /nfs/dbraw/zinc/92/71/38/1205927138.db2.gz HULKZIZECMFQPL-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM COCCOc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185624756 1205927308 /nfs/dbraw/zinc/92/73/08/1205927308.db2.gz WPTUBKVPMUEJRT-UHFFFAOYSA-N -1 3 390.425 0.765 20 0 GCADHM COCCOc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185624756 1205927309 /nfs/dbraw/zinc/92/73/09/1205927309.db2.gz WPTUBKVPMUEJRT-UHFFFAOYSA-N -1 3 390.425 0.765 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ncccc1[O-])C(C)C ZINC001185682912 1205927341 /nfs/dbraw/zinc/92/73/41/1205927341.db2.gz LEYLKAFMRDPPSI-ZFWWWQNUSA-N -1 3 378.429 0.775 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc(=O)[n-]c(C)n1)C(C)C ZINC001185670987 1205927925 /nfs/dbraw/zinc/92/79/25/1205927925.db2.gz GHIAPBGZTIMHTF-FZMZJTMJSA-N -1 3 379.417 0.801 20 0 GCADHM Cn1ncc(S(=O)(=O)[N-]CCNC(=O)OC(C)(C)C)c1Br ZINC001186077615 1205933872 /nfs/dbraw/zinc/93/38/72/1205933872.db2.gz PCZQCJGUDIMETD-UHFFFAOYSA-N -1 3 383.268 0.986 20 0 GCADHM COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000774977773 1205935611 /nfs/dbraw/zinc/93/56/11/1205935611.db2.gz XCUDFGFWMOJBEQ-NXEZZACHSA-N -1 3 381.355 0.379 20 0 GCADHM CN(C)CCN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CCC1=O ZINC001186171481 1205936325 /nfs/dbraw/zinc/93/63/25/1205936325.db2.gz WQAQKZYUOBNTSW-UHFFFAOYSA-N -1 3 387.433 0.309 20 0 GCADHM O=C1CC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C(=O)N1 ZINC001186351422 1205938293 /nfs/dbraw/zinc/93/82/93/1205938293.db2.gz XXULWBGCCXNKCA-ZETCQYMHSA-N -1 3 382.623 0.581 20 0 GCADHM Cn1ncc(S(=O)(=O)[N-]CCc2cccc(C(N)=O)c2)c1Br ZINC001186369612 1205938820 /nfs/dbraw/zinc/93/88/20/1205938820.db2.gz UTUIWCZBHTXONI-UHFFFAOYSA-N -1 3 387.259 0.803 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCCNC(=O)c1cccs1 ZINC001186411712 1205939634 /nfs/dbraw/zinc/93/96/34/1205939634.db2.gz RSQCJOMBSHAMJN-UHFFFAOYSA-N -1 3 386.455 0.665 20 0 GCADHM COC(=O)c1ncc(=O)[nH]c1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC001186432541 1205939985 /nfs/dbraw/zinc/93/99/85/1205939985.db2.gz WAMQGJYVXDDSRZ-UHFFFAOYSA-N -1 3 389.187 0.515 20 0 GCADHM COc1ccc(-c2nc(C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)n[nH]2)cc1 ZINC001186634648 1205944712 /nfs/dbraw/zinc/94/47/12/1205944712.db2.gz XWYZXMBRGLIINK-XMMPIXPASA-N -1 3 388.475 0.389 20 0 GCADHM CNS(=O)(=O)c1cccc(NC(=O)C[N-]S(=O)(=O)CCC(C)(F)F)c1 ZINC001186723512 1205947080 /nfs/dbraw/zinc/94/70/80/1205947080.db2.gz QXRCZEAPAMDVJM-UHFFFAOYSA-N -1 3 399.441 0.498 20 0 GCADHM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001186802272 1205947617 /nfs/dbraw/zinc/94/76/17/1205947617.db2.gz KKPNRMJJLJTFOC-ZJNRKIDTSA-N -1 3 379.413 0.122 20 0 GCADHM Cn1cc(N2C[C@]3(CCN(C(=O)c4ccccc4-c4nnn[n-]4)C3)CC2=O)cn1 ZINC001186991133 1205954056 /nfs/dbraw/zinc/95/40/56/1205954056.db2.gz GYCAYPOJXSCRFJ-LJQANCHMSA-N -1 3 392.423 0.869 20 0 GCADHM Cn1cc(N2C[C@]3(CCN(C(=O)c4ccccc4-c4nn[n-]n4)C3)CC2=O)cn1 ZINC001186991133 1205954057 /nfs/dbraw/zinc/95/40/57/1205954057.db2.gz GYCAYPOJXSCRFJ-LJQANCHMSA-N -1 3 392.423 0.869 20 0 GCADHM O=C(c1ccccc1-c1nnn[n-]1)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001187000073 1205954359 /nfs/dbraw/zinc/95/43/59/1205954359.db2.gz YUWIXHBUQVRYJH-UHFFFAOYSA-N -1 3 390.411 0.749 20 0 GCADHM O=C(c1ccccc1-c1nn[n-]n1)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001187000073 1205954360 /nfs/dbraw/zinc/95/43/60/1205954360.db2.gz YUWIXHBUQVRYJH-UHFFFAOYSA-N -1 3 390.411 0.749 20 0 GCADHM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001187239431 1205957848 /nfs/dbraw/zinc/95/78/48/1205957848.db2.gz DAQLFVMEUMYCPI-MYYSRTQBSA-N -1 3 390.531 0.032 20 0 GCADHM CCOC(=O)C1([N-]S(=O)(=O)c2cnoc2C)CN(C(=O)OC(C)(C)C)C1 ZINC001187409281 1205962224 /nfs/dbraw/zinc/96/22/24/1205962224.db2.gz KAJWQXUPJAMRMK-UHFFFAOYSA-N -1 3 389.430 0.814 20 0 GCADHM Cc1oncc1S(=O)(=O)[N-][C@@H](CCC(=O)OCc1ccccc1)C(N)=O ZINC001187413751 1205962285 /nfs/dbraw/zinc/96/22/85/1205962285.db2.gz HISUONTUXIOZAK-ZDUSSCGKSA-N -1 3 381.410 0.639 20 0 GCADHM CC(C)(C)OC(=O)c1ccc(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)c([O-])c1 ZINC001187520660 1205964401 /nfs/dbraw/zinc/96/44/01/1205964401.db2.gz GCERTSCKKGHTGB-LBPRGKRZSA-N -1 3 377.397 0.681 20 0 GCADHM COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)c1nn[n-]c1C(F)(F)F)C2 ZINC001187771109 1205967792 /nfs/dbraw/zinc/96/77/92/1205967792.db2.gz VRXUMSXQEAKHJR-SNVBAGLBSA-N -1 3 385.346 0.919 20 0 GCADHM COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)c1[n-]nnc1C(F)(F)F)C2 ZINC001187771109 1205967793 /nfs/dbraw/zinc/96/77/93/1205967793.db2.gz VRXUMSXQEAKHJR-SNVBAGLBSA-N -1 3 385.346 0.919 20 0 GCADHM NC(=O)c1cc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c(Br)cc1F ZINC001188336503 1205979633 /nfs/dbraw/zinc/97/96/33/1205979633.db2.gz HSGHZLKYQWFDJJ-GFCCVEGCSA-N -1 3 397.222 0.117 20 0 GCADHM Nc1ccc(S(=O)(=O)N(C(=O)c2nc[n-]n2)c2cncc(Cl)n2)cc1 ZINC001188704406 1205989714 /nfs/dbraw/zinc/98/97/14/1205989714.db2.gz ULXWDEIQWZHAFG-UHFFFAOYSA-N -1 3 379.789 0.866 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)[N-]CCNC(=O)NC1CCCCC1 ZINC001188909271 1205993040 /nfs/dbraw/zinc/99/30/40/1205993040.db2.gz QGFCWGAAXPGLBE-UHFFFAOYSA-N -1 3 390.487 0.840 20 0 GCADHM Nc1ccc(S(=O)(=O)N(C(=O)c2cnn[n-]2)c2cncc(Cl)n2)cc1 ZINC001189352285 1206003615 /nfs/dbraw/zinc/00/36/15/1206003615.db2.gz WALNEZBHWCJPEV-UHFFFAOYSA-N -1 3 379.789 0.866 20 0 GCADHM Nc1ccc(S(=O)(=O)N(C(=O)c2c[n-]nn2)c2cncc(Cl)n2)cc1 ZINC001189352285 1206003619 /nfs/dbraw/zinc/00/36/19/1206003619.db2.gz WALNEZBHWCJPEV-UHFFFAOYSA-N -1 3 379.789 0.866 20 0 GCADHM CCOC(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)cc(OC)c2OC)[n-]n1 ZINC001189554963 1206009829 /nfs/dbraw/zinc/00/98/29/1206009829.db2.gz KHSISFVGVUMSIJ-UHFFFAOYSA-N -1 3 398.397 0.503 20 0 GCADHM CCOC(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)cc(OC)c2OC)n[n-]1 ZINC001189554963 1206009833 /nfs/dbraw/zinc/00/98/33/1206009833.db2.gz KHSISFVGVUMSIJ-UHFFFAOYSA-N -1 3 398.397 0.503 20 0 GCADHM CNC(=O)CN1CCCC12CCN(C(=O)c1ccccc1S(=O)(=O)[O-])CC2 ZINC001189682399 1206013208 /nfs/dbraw/zinc/01/32/08/1206013208.db2.gz GJVMERFNKWSLBY-UHFFFAOYSA-N -1 3 395.481 0.750 20 0 GCADHM NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001110417039 1206014535 /nfs/dbraw/zinc/01/45/35/1206014535.db2.gz HDSRHLWFHFRAMT-OAGGEKHMSA-N -1 3 381.436 0.946 20 0 GCADHM O=C(NCCOCCN1C(=O)C=CC1=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189775300 1206015563 /nfs/dbraw/zinc/01/55/63/1206015563.db2.gz ZTXQYZOYDYKHLM-UHFFFAOYSA-N -1 3 388.298 0.962 20 0 GCADHM COc1nc(S(=O)(=O)[N-]CCCCCCN2C(=O)C=CC2=O)ccc1F ZINC001190117058 1206027409 /nfs/dbraw/zinc/02/74/09/1206027409.db2.gz UBKWHTKLVBPDBJ-UHFFFAOYSA-N -1 3 385.417 0.993 20 0 GCADHM CCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(OC)n1)[C@H](O)C(=O)NC1CC1 ZINC001190120510 1206027560 /nfs/dbraw/zinc/02/75/60/1206027560.db2.gz MUXRFPOEZDXWEO-AAEUAGOBSA-N -1 3 375.422 0.316 20 0 GCADHM COc1cc([O-])c(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(OC)c1 ZINC001190129033 1206027659 /nfs/dbraw/zinc/02/76/59/1206027659.db2.gz JCZODFMVCAUEOC-UHFFFAOYSA-N -1 3 377.441 0.790 20 0 GCADHM COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(N)=O ZINC001190350281 1206033287 /nfs/dbraw/zinc/03/32/87/1206033287.db2.gz CXRSDQWBUUKGNZ-VIFPVBQESA-N -1 3 386.323 0.930 20 0 GCADHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)nn1 ZINC001190394214 1206033692 /nfs/dbraw/zinc/03/36/92/1206033692.db2.gz NCLGFPLKDRTUMZ-CYBMUJFWSA-N -1 3 391.519 0.018 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@H](C(N)=O)c1ccccn1 ZINC001190611545 1206040683 /nfs/dbraw/zinc/04/06/83/1206040683.db2.gz HSMSNBRDJAXHKX-STQMWFEESA-N -1 3 384.458 0.249 20 0 GCADHM CC(C)c1nnc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[nH]1 ZINC001190656630 1206040919 /nfs/dbraw/zinc/04/09/19/1206040919.db2.gz VUBYFYRFOMHLKT-UHFFFAOYSA-N -1 3 391.450 0.917 20 0 GCADHM Cc1nnsc1C[N-]S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001190818977 1206047689 /nfs/dbraw/zinc/04/76/89/1206047689.db2.gz VGHZVGLLTGPKSN-LLVKDONJSA-N -1 3 392.503 0.902 20 0 GCADHM CS(=O)(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3ccncc3)cc2)CC1 ZINC001190888159 1206050008 /nfs/dbraw/zinc/05/00/08/1206050008.db2.gz SSDOZORGVAAHHN-UHFFFAOYSA-N -1 3 396.494 0.964 20 0 GCADHM O=C(c1n[nH]c2c1CN(C(=O)c1ccc(=O)[n-]c1Cl)C2)N1CCOCC1 ZINC001190908360 1206050873 /nfs/dbraw/zinc/05/08/73/1206050873.db2.gz PHJYWFBAPSBIMR-UHFFFAOYSA-N -1 3 377.788 0.792 20 0 GCADHM CC(C)N1CCN(C(C)(C)CNS(=O)(=O)[C@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC001465114382 804141866 /nfs/dbraw/zinc/14/18/66/804141866.db2.gz FBGGRAIKXUANFU-CABCVRRESA-N -1 3 375.535 0.964 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737745529 945120478 /nfs/dbraw/zinc/12/04/78/945120478.db2.gz PBUDMZGFHGGAIA-INIZCTEOSA-N -1 3 391.435 0.647 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737745529 945120485 /nfs/dbraw/zinc/12/04/85/945120485.db2.gz PBUDMZGFHGGAIA-INIZCTEOSA-N -1 3 391.435 0.647 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000737737843 945120616 /nfs/dbraw/zinc/12/06/16/945120616.db2.gz FZYCGQXYTGCRHL-LLVKDONJSA-N -1 3 393.333 0.519 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000737737843 945120621 /nfs/dbraw/zinc/12/06/21/945120621.db2.gz FZYCGQXYTGCRHL-LLVKDONJSA-N -1 3 393.333 0.519 20 0 GCADHM NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737755214 945123100 /nfs/dbraw/zinc/12/31/00/945123100.db2.gz LNGVTVIMDFXCBG-GFCCVEGCSA-N -1 3 380.368 0.269 20 0 GCADHM NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737755214 945123102 /nfs/dbraw/zinc/12/31/02/945123102.db2.gz LNGVTVIMDFXCBG-GFCCVEGCSA-N -1 3 380.368 0.269 20 0 GCADHM O=C(CN1CCn2c(nnc2C(F)(F)F)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737884543 945144631 /nfs/dbraw/zinc/14/46/31/945144631.db2.gz OGKQKWMPFUQLGG-UHFFFAOYSA-N -1 3 393.333 0.931 20 0 GCADHM O=C(CN1CCn2c(nnc2C(F)(F)F)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737884543 945144637 /nfs/dbraw/zinc/14/46/37/945144637.db2.gz OGKQKWMPFUQLGG-UHFFFAOYSA-N -1 3 393.333 0.931 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000738102438 945190220 /nfs/dbraw/zinc/19/02/20/945190220.db2.gz SFJLPTGVFMDFQT-UHFFFAOYSA-N -1 3 391.391 0.408 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000738102438 945190225 /nfs/dbraw/zinc/19/02/25/945190225.db2.gz SFJLPTGVFMDFQT-UHFFFAOYSA-N -1 3 391.391 0.408 20 0 GCADHM CCN1CCN(Cc2ccccc2CNC(=O)N[C@@]2(C(=O)[O-])CCOC2)CC1 ZINC000908799538 939322484 /nfs/dbraw/zinc/32/24/84/939322484.db2.gz VYQWQZNZAZTVPS-FQEVSTJZSA-N -1 3 390.484 0.867 20 0 GCADHM CN1CCN(CCCNC(=O)N[C@@]2(C(=O)[O-])CCOC2)[C@@H](c2ccccc2)C1 ZINC000908821765 939329598 /nfs/dbraw/zinc/32/95/98/939329598.db2.gz QCXCFJJRBWBFMW-XLIONFOSSA-N -1 3 390.484 0.908 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@H]1Cn1cncn1 ZINC000738348762 945262151 /nfs/dbraw/zinc/26/21/51/945262151.db2.gz WSUXPHKNGJLHAW-LLVKDONJSA-N -1 3 378.393 0.451 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H]1Cn1cncn1 ZINC000738348762 945262162 /nfs/dbraw/zinc/26/21/62/945262162.db2.gz WSUXPHKNGJLHAW-LLVKDONJSA-N -1 3 378.393 0.451 20 0 GCADHM CC(=O)N[C@@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000819803271 945293945 /nfs/dbraw/zinc/29/39/45/945293945.db2.gz MJQDWPHTNQLTLP-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM CC(=O)N[C@@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000819803271 945293952 /nfs/dbraw/zinc/29/39/52/945293952.db2.gz MJQDWPHTNQLTLP-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(c2cnn(C)c2)CC1 ZINC000819877153 945303940 /nfs/dbraw/zinc/30/39/40/945303940.db2.gz PTAIXDWSHLGIRE-ZDUSSCGKSA-N -1 3 381.444 0.749 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(c2cnn(C)c2)CC1 ZINC000819877153 945303948 /nfs/dbraw/zinc/30/39/48/945303948.db2.gz PTAIXDWSHLGIRE-ZDUSSCGKSA-N -1 3 381.444 0.749 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(CC[S@@](C)=O)CC1 ZINC000819877648 945306691 /nfs/dbraw/zinc/30/66/91/945306691.db2.gz ZMPYXQLGLUIDED-JGTBNHKDSA-N -1 3 391.501 0.190 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(CC[S@@](C)=O)CC1 ZINC000819877648 945306702 /nfs/dbraw/zinc/30/67/02/945306702.db2.gz ZMPYXQLGLUIDED-JGTBNHKDSA-N -1 3 391.501 0.190 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(CC[S@](C)=O)CC1 ZINC000819877646 945306455 /nfs/dbraw/zinc/30/64/55/945306455.db2.gz ZMPYXQLGLUIDED-CEXHIMGSSA-N -1 3 391.501 0.190 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(CC[S@](C)=O)CC1 ZINC000819877646 945306460 /nfs/dbraw/zinc/30/64/60/945306460.db2.gz ZMPYXQLGLUIDED-CEXHIMGSSA-N -1 3 391.501 0.190 20 0 GCADHM CC(C)(CCO)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000819976018 945321464 /nfs/dbraw/zinc/32/14/64/945321464.db2.gz HZJWXTLAEIXNGS-UHFFFAOYSA-N -1 3 388.476 0.938 20 0 GCADHM CC(C)(CCO)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000819976018 945321473 /nfs/dbraw/zinc/32/14/73/945321473.db2.gz HZJWXTLAEIXNGS-UHFFFAOYSA-N -1 3 388.476 0.938 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571257765 945341312 /nfs/dbraw/zinc/34/13/12/945341312.db2.gz JBSYOYUQMHOJTF-BHPKHCPMSA-N -1 3 385.428 0.435 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571257765 945341317 /nfs/dbraw/zinc/34/13/17/945341317.db2.gz JBSYOYUQMHOJTF-BHPKHCPMSA-N -1 3 385.428 0.435 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571257746 945342382 /nfs/dbraw/zinc/34/23/82/945342382.db2.gz ISPIVBCSEIVNCH-UUIJZJDISA-N -1 3 385.428 0.150 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571257746 945342391 /nfs/dbraw/zinc/34/23/91/945342391.db2.gz ISPIVBCSEIVNCH-UUIJZJDISA-N -1 3 385.428 0.150 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001571257723 945342639 /nfs/dbraw/zinc/34/26/39/945342639.db2.gz HYPVTGJPXYJTFD-AMFXNCCOSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001571257723 945342651 /nfs/dbraw/zinc/34/26/51/945342651.db2.gz HYPVTGJPXYJTFD-AMFXNCCOSA-N -1 3 385.428 0.197 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571257597 945342790 /nfs/dbraw/zinc/34/27/90/945342790.db2.gz HCZFXQBHBPEJHN-OTYXRUKQSA-N -1 3 385.407 0.934 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571257597 945342802 /nfs/dbraw/zinc/34/28/02/945342802.db2.gz HCZFXQBHBPEJHN-OTYXRUKQSA-N -1 3 385.407 0.934 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571257789 945344225 /nfs/dbraw/zinc/34/42/25/945344225.db2.gz JQBIQEODXCGDKU-ZDUSSCGKSA-N -1 3 385.407 0.698 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571257789 945344237 /nfs/dbraw/zinc/34/42/37/945344237.db2.gz JQBIQEODXCGDKU-ZDUSSCGKSA-N -1 3 385.407 0.698 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)C1=CCOCC1 ZINC001571257821 945344295 /nfs/dbraw/zinc/34/42/95/945344295.db2.gz JVHLATINBRUSRK-YPMHNXCESA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)C1=CCOCC1 ZINC001571257821 945344307 /nfs/dbraw/zinc/34/43/07/945344307.db2.gz JVHLATINBRUSRK-YPMHNXCESA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC001571257813 945344848 /nfs/dbraw/zinc/34/48/48/945344848.db2.gz JURBNLPNOGIBKW-YGRLFVJLSA-N -1 3 385.407 0.527 20 0 GCADHM CC1=C(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001571258095 945346884 /nfs/dbraw/zinc/34/68/84/945346884.db2.gz MPQHCGMXDCNTAW-AULYBMBSSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001571258095 945346899 /nfs/dbraw/zinc/34/68/99/945346899.db2.gz MPQHCGMXDCNTAW-AULYBMBSSA-N -1 3 385.428 0.904 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001571258073 945346964 /nfs/dbraw/zinc/34/69/64/945346964.db2.gz MGQPZKLVEGSVMX-NSHDSACASA-N -1 3 385.407 0.651 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001571258073 945346976 /nfs/dbraw/zinc/34/69/76/945346976.db2.gz MGQPZKLVEGSVMX-NSHDSACASA-N -1 3 385.407 0.651 20 0 GCADHM CC(C)CN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820092015 945349808 /nfs/dbraw/zinc/34/98/08/945349808.db2.gz DRIIBIMSGUZAIV-UHFFFAOYSA-N -1 3 378.502 0.914 20 0 GCADHM CC(C)CN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820092015 945349821 /nfs/dbraw/zinc/34/98/21/945349821.db2.gz DRIIBIMSGUZAIV-UHFFFAOYSA-N -1 3 378.502 0.914 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)C1=CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571258202 945350009 /nfs/dbraw/zinc/35/00/09/945350009.db2.gz NPOKMLJNHHCSPD-ZDUSSCGKSA-N -1 3 385.428 0.605 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)C1=CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571258202 945350020 /nfs/dbraw/zinc/35/00/20/945350020.db2.gz NPOKMLJNHHCSPD-ZDUSSCGKSA-N -1 3 385.428 0.605 20 0 GCADHM CCn1cc(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)c(C)n1 ZINC001571258285 945350348 /nfs/dbraw/zinc/35/03/48/945350348.db2.gz OVHOFRKFFAQTNJ-LBPRGKRZSA-N -1 3 385.407 0.934 20 0 GCADHM CCn1cc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)c(C)n1 ZINC001571258285 945350363 /nfs/dbraw/zinc/35/03/63/945350363.db2.gz OVHOFRKFFAQTNJ-LBPRGKRZSA-N -1 3 385.407 0.934 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 ZINC001571258553 945355961 /nfs/dbraw/zinc/35/59/61/945355961.db2.gz VVVWCDRWZQTGBD-GZMMTYOYSA-N -1 3 385.413 0.033 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@@H]2CCN(C(=O)c3cnns3)[C@@H]2C1 ZINC001571258553 945355976 /nfs/dbraw/zinc/35/59/76/945355976.db2.gz VVVWCDRWZQTGBD-GZMMTYOYSA-N -1 3 385.413 0.033 20 0 GCADHM CC1=C(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001571258505 945356257 /nfs/dbraw/zinc/35/62/57/945356257.db2.gz UIRBJWCETIQUOS-GFCCVEGCSA-N -1 3 385.428 0.858 20 0 GCADHM CC1=C(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001571258505 945356270 /nfs/dbraw/zinc/35/62/70/945356270.db2.gz UIRBJWCETIQUOS-GFCCVEGCSA-N -1 3 385.428 0.858 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001571258524 945357280 /nfs/dbraw/zinc/35/72/80/945357280.db2.gz UZQOLAUPSGZVIY-NWDGAFQWSA-N -1 3 385.407 0.922 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001571258524 945357295 /nfs/dbraw/zinc/35/72/95/945357295.db2.gz UZQOLAUPSGZVIY-NWDGAFQWSA-N -1 3 385.407 0.922 20 0 GCADHM CCn1cnc(C(=O)N(C)[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)c1 ZINC001571258600 945358458 /nfs/dbraw/zinc/35/84/58/945358458.db2.gz XDBCBMSXNUUTRX-GFCCVEGCSA-N -1 3 385.407 0.968 20 0 GCADHM CCn1cnc(C(=O)N(C)[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)c1 ZINC001571258600 945358472 /nfs/dbraw/zinc/35/84/72/945358472.db2.gz XDBCBMSXNUUTRX-GFCCVEGCSA-N -1 3 385.407 0.968 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnns1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571258556 945360108 /nfs/dbraw/zinc/36/01/08/945360108.db2.gz VYKWTPYFKGCLQP-ONOSFVFSSA-N -1 3 385.413 0.222 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnns1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571258556 945360121 /nfs/dbraw/zinc/36/01/21/945360121.db2.gz VYKWTPYFKGCLQP-ONOSFVFSSA-N -1 3 385.413 0.222 20 0 GCADHM Cn1ncc(C(=O)NCC2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)c1N ZINC001571258641 945360978 /nfs/dbraw/zinc/36/09/78/945360978.db2.gz YCQFLCOPEDJIEA-UHFFFAOYSA-N -1 3 385.407 0.183 20 0 GCADHM Cn1ncc(C(=O)NCC2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)c1N ZINC001571258641 945360988 /nfs/dbraw/zinc/36/09/88/945360988.db2.gz YCQFLCOPEDJIEA-UHFFFAOYSA-N -1 3 385.407 0.183 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC001571258701 945361730 /nfs/dbraw/zinc/36/17/30/945361730.db2.gz ZNYXHWQBJULAEU-NSHDSACASA-N -1 3 385.407 0.923 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC001571258701 945361736 /nfs/dbraw/zinc/36/17/36/945361736.db2.gz ZNYXHWQBJULAEU-NSHDSACASA-N -1 3 385.407 0.923 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820145928 945362788 /nfs/dbraw/zinc/36/27/88/945362788.db2.gz GIBQXCXSABMAHO-LBPRGKRZSA-N -1 3 396.473 0.388 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820145928 945362798 /nfs/dbraw/zinc/36/27/98/945362798.db2.gz GIBQXCXSABMAHO-LBPRGKRZSA-N -1 3 396.473 0.388 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000820146028 945363433 /nfs/dbraw/zinc/36/34/33/945363433.db2.gz JAGXMCKPBCIORK-GFCCVEGCSA-N -1 3 396.473 0.388 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820146028 945363444 /nfs/dbraw/zinc/36/34/44/945363444.db2.gz JAGXMCKPBCIORK-GFCCVEGCSA-N -1 3 396.473 0.388 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(Cc2nnc(C(C)(C)C)o2)C1 ZINC001571258765 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O=C(N[C@H]1C[C@H](CO)C1)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001571260078 945407841 /nfs/dbraw/zinc/40/78/41/945407841.db2.gz VTWCSGWZSFGNGN-BPLDGKMQSA-N -1 3 385.428 0.038 20 0 GCADHM O=C(N[C@H]1C[C@H](CO)C1)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001571260078 945407849 /nfs/dbraw/zinc/40/78/49/945407849.db2.gz VTWCSGWZSFGNGN-BPLDGKMQSA-N -1 3 385.428 0.038 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(Cc2nc(C(C)(C)C)no2)C1 ZINC001571260194 945410114 /nfs/dbraw/zinc/41/01/14/945410114.db2.gz XKPKVMSUOMLDKQ-UHFFFAOYSA-N -1 3 385.432 0.832 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(Cc2nc(C(C)(C)C)no2)C1 ZINC001571260194 945410121 /nfs/dbraw/zinc/41/01/21/945410121.db2.gz XKPKVMSUOMLDKQ-UHFFFAOYSA-N -1 3 385.432 0.832 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571260190 945410582 /nfs/dbraw/zinc/41/05/82/945410582.db2.gz XJUVCUQDDDACGU-KGLIPLIRSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)C2CC3(CCC3)C2)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571260190 945410586 /nfs/dbraw/zinc/41/05/86/945410586.db2.gz XJUVCUQDDDACGU-KGLIPLIRSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(C(=O)[C@@H]1CCOC1)CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571260237 945411705 /nfs/dbraw/zinc/41/17/05/945411705.db2.gz YNFZCWACSAVGCY-VZSAFFHGSA-N -1 3 385.428 0.485 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(C(=O)[C@@H]1CCOC1)CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571260237 945411714 /nfs/dbraw/zinc/41/17/14/945411714.db2.gz YNFZCWACSAVGCY-VZSAFFHGSA-N -1 3 385.428 0.485 20 0 GCADHM O=C([C@@H]1CNC(=O)N1)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571260335 945412532 /nfs/dbraw/zinc/41/25/32/945412532.db2.gz PRZIHBDJTSTZJN-OCCSQVGLSA-N -1 3 385.432 0.126 20 0 GCADHM O=C([C@@H]1CNC(=O)N1)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571260335 945412536 /nfs/dbraw/zinc/41/25/36/945412536.db2.gz PRZIHBDJTSTZJN-OCCSQVGLSA-N -1 3 385.432 0.126 20 0 GCADHM Cc1nonc1CNC[C@@H]1C[C@H](C)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571260390 945413690 /nfs/dbraw/zinc/41/36/90/945413690.db2.gz RESWXHFWJZJUNZ-MFKMUULPSA-N -1 3 385.432 0.917 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1cccs1 ZINC001571260566 945418760 /nfs/dbraw/zinc/41/87/60/945418760.db2.gz WUCFASIWORMHGP-CYZMBNFOSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1cccs1 ZINC001571260566 945418764 /nfs/dbraw/zinc/41/87/64/945418764.db2.gz WUCFASIWORMHGP-CYZMBNFOSA-N -1 3 385.453 0.793 20 0 GCADHM Cc1c[nH]c(C(=O)N2C[C@@H]3CN(c4snc(C)c4-c4nnn[n-]4)C[C@@H]3C2)n1 ZINC001571261588 945429600 /nfs/dbraw/zinc/42/96/00/945429600.db2.gz GVZUSPRMNDYYCV-PHIMTYICSA-N -1 3 385.457 0.872 20 0 GCADHM CC(C)[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820446251 945450889 /nfs/dbraw/zinc/45/08/89/945450889.db2.gz TUYIMCXVDQJDON-SMDDNHRTSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820446251 945450896 /nfs/dbraw/zinc/45/08/96/945450896.db2.gz TUYIMCXVDQJDON-SMDDNHRTSA-N -1 3 396.473 0.057 20 0 GCADHM CC1(C)C(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)C1(C)C ZINC001571263197 945451245 /nfs/dbraw/zinc/45/12/45/945451245.db2.gz JWNWTLVZZVZWFW-QWHCGFSZSA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)C1(C)C ZINC001571263197 945451250 /nfs/dbraw/zinc/45/12/50/945451250.db2.gz JWNWTLVZZVZWFW-QWHCGFSZSA-N -1 3 385.472 1.000 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCCOC1 ZINC000820445152 945451453 /nfs/dbraw/zinc/45/14/53/945451453.db2.gz OAYHUJDVGSUNBG-CMPLNLGQSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCCOC1 ZINC000820445152 945451458 /nfs/dbraw/zinc/45/14/58/945451458.db2.gz OAYHUJDVGSUNBG-CMPLNLGQSA-N -1 3 381.414 0.256 20 0 GCADHM Cc1nsc(N2C[C@@H](CNC(=O)c3ccncn3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001571263223 945453579 /nfs/dbraw/zinc/45/35/79/945453579.db2.gz KJHVEKGILGVMDC-MWLCHTKSSA-N -1 3 385.457 0.924 20 0 GCADHM Cc1nnc(CN2C[C@@H]3CCN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)s1 ZINC001571263326 945455763 /nfs/dbraw/zinc/45/57/63/945455763.db2.gz MWXFBLSVGHBGNQ-GXFFZTMASA-N -1 3 385.457 0.701 20 0 GCADHM Cc1nnc(CN2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)s1 ZINC001571263326 945455768 /nfs/dbraw/zinc/45/57/68/945455768.db2.gz MWXFBLSVGHBGNQ-GXFFZTMASA-N -1 3 385.457 0.701 20 0 GCADHM O=C(N[C@@H]1CC12CCN(Cc1csnn1)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571263722 945465018 /nfs/dbraw/zinc/46/50/18/945465018.db2.gz XICDEDBXTOOALD-CYBMUJFWSA-N -1 3 385.457 0.831 20 0 GCADHM O=C(N[C@@H]1CC12CCN(Cc1csnn1)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571263722 945465022 /nfs/dbraw/zinc/46/50/22/945465022.db2.gz XICDEDBXTOOALD-CYBMUJFWSA-N -1 3 385.457 0.831 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000820503001 945468863 /nfs/dbraw/zinc/46/88/63/945468863.db2.gz XBSKJLXJLSSXHI-QMMMGPOBSA-N -1 3 382.336 0.954 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000820503001 945468867 /nfs/dbraw/zinc/46/88/67/945468867.db2.gz XBSKJLXJLSSXHI-QMMMGPOBSA-N -1 3 382.336 0.954 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@H]3CCCCN3C)[C@H]2C)n1 ZINC001571264914 945495041 /nfs/dbraw/zinc/49/50/41/945495041.db2.gz AHGNFWQOWWAZJR-VNHYZAJKSA-N -1 3 385.476 0.533 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)NC(=O)NC1=O ZINC000820607374 945498858 /nfs/dbraw/zinc/49/88/58/945498858.db2.gz RZWWVALUWYASIH-RFAUZJTJSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)NC(=O)NC1=O ZINC000820607374 945498860 /nfs/dbraw/zinc/49/88/60/945498860.db2.gz RZWWVALUWYASIH-RFAUZJTJSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@]1(C2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)NC(=O)NC1=O ZINC000820613310 945499599 /nfs/dbraw/zinc/49/95/99/945499599.db2.gz ZPZDWIPIKRVFDP-QGZVFWFLSA-N -1 3 384.400 0.709 20 0 GCADHM C[C@]1(C2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)NC(=O)NC1=O ZINC000820613310 945499602 /nfs/dbraw/zinc/49/96/02/945499602.db2.gz ZPZDWIPIKRVFDP-QGZVFWFLSA-N -1 3 384.400 0.709 20 0 GCADHM C[C@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001571265230 945503375 /nfs/dbraw/zinc/50/33/75/945503375.db2.gz DAKRSVGRUZQVOA-KBPBESRZSA-N -1 3 385.476 0.213 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1)c1ccnc(-c2nnn[n-]2)n1 ZINC001571265294 945507702 /nfs/dbraw/zinc/50/77/02/945507702.db2.gz GAWWKCQKRZLAGW-KBPBESRZSA-N -1 3 385.476 0.426 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)CN3CCCC3)[C@@H]2C)n1 ZINC001571265429 945509896 /nfs/dbraw/zinc/50/98/96/945509896.db2.gz JZAWUYMJQZTFRJ-KBPBESRZSA-N -1 3 385.476 0.534 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571265697 945519765 /nfs/dbraw/zinc/51/97/65/945519765.db2.gz OXSGYNBXHMGXNH-UMVBOHGHSA-N -1 3 385.476 0.980 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)C3C(C)(C)C3(C)C)[C@@H](O)C2)n1 ZINC001571265799 945521052 /nfs/dbraw/zinc/52/10/52/945521052.db2.gz KPAPIDBVDGXTSS-OLZOCXBDSA-N -1 3 385.472 0.918 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)C3C(C)(C)C3(C)C)[C@@H](O)C2)n1 ZINC001571265799 945521066 /nfs/dbraw/zinc/52/10/66/945521066.db2.gz KPAPIDBVDGXTSS-OLZOCXBDSA-N -1 3 385.472 0.918 20 0 GCADHM CN1CCCC[C@H]1C(=O)NC1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571265845 945524810 /nfs/dbraw/zinc/52/48/10/945524810.db2.gz QOTZLHKJBSMGCA-RUXDESIVSA-N -1 3 385.476 0.980 20 0 GCADHM COc1nc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)co1 ZINC001571266949 945555880 /nfs/dbraw/zinc/55/58/80/945555880.db2.gz CXUUNMVXWSVYFX-WPRPVWTQSA-N -1 3 386.372 0.224 20 0 GCADHM COc1nc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)co1 ZINC001571266949 945555883 /nfs/dbraw/zinc/55/58/83/945555883.db2.gz CXUUNMVXWSVYFX-WPRPVWTQSA-N -1 3 386.372 0.224 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3-c3nnn[n-]3)C[C@@H]2O)co1 ZINC001571266916 945556880 /nfs/dbraw/zinc/55/68/80/945556880.db2.gz CCDXJIPOANRVHY-CVEARBPZSA-N -1 3 386.387 0.882 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C[C@@H]2O)co1 ZINC001571266916 945556891 /nfs/dbraw/zinc/55/68/91/945556891.db2.gz CCDXJIPOANRVHY-CVEARBPZSA-N -1 3 386.387 0.882 20 0 GCADHM COc1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)on1 ZINC001571267004 945559120 /nfs/dbraw/zinc/55/91/20/945559120.db2.gz FYIONHMNCWSYRK-SNVBAGLBSA-N -1 3 386.372 0.178 20 0 GCADHM COc1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)on1 ZINC001571267004 945559131 /nfs/dbraw/zinc/55/91/31/945559131.db2.gz FYIONHMNCWSYRK-SNVBAGLBSA-N -1 3 386.372 0.178 20 0 GCADHM COc1nc(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571267068 945561534 /nfs/dbraw/zinc/56/15/34/945561534.db2.gz IKPUWMJCXNDMQF-UHFFFAOYSA-N -1 3 386.372 0.224 20 0 GCADHM COc1nc(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571267068 945561550 /nfs/dbraw/zinc/56/15/50/945561550.db2.gz IKPUWMJCXNDMQF-UHFFFAOYSA-N -1 3 386.372 0.224 20 0 GCADHM O=C(N[C@H]1CCN(CC=C(Cl)Cl)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571267308 945567796 /nfs/dbraw/zinc/56/77/96/945567796.db2.gz PZEWVCGDXVBHHC-ONGXEEELSA-N -1 3 386.243 0.679 20 0 GCADHM O=C(N[C@H]1CCN(CC=C(Cl)Cl)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571267308 945567802 /nfs/dbraw/zinc/56/78/02/945567802.db2.gz PZEWVCGDXVBHHC-ONGXEEELSA-N -1 3 386.243 0.679 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)CC[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001571267650 945574575 /nfs/dbraw/zinc/57/45/75/945574575.db2.gz AWIMZCSDQGSQRO-VXGBXAGGSA-N -1 3 386.416 0.091 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)CC[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001571267650 945574578 /nfs/dbraw/zinc/57/45/78/945574578.db2.gz AWIMZCSDQGSQRO-VXGBXAGGSA-N -1 3 386.416 0.091 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O)c1ncc[nH]1 ZINC001571267661 945575538 /nfs/dbraw/zinc/57/55/38/945575538.db2.gz BHPGWBYVUCVFAI-KBPBESRZSA-N -1 3 386.391 0.094 20 0 GCADHM COc1cc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)on1 ZINC001571267719 945577903 /nfs/dbraw/zinc/57/79/03/945577903.db2.gz CQEGVYSTUHZYGP-GXFFZTMASA-N -1 3 386.416 0.974 20 0 GCADHM COc1cc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)on1 ZINC001571267719 945577905 /nfs/dbraw/zinc/57/79/05/945577905.db2.gz CQEGVYSTUHZYGP-GXFFZTMASA-N -1 3 386.416 0.974 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)[C@H]1COC(=O)N1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571267785 945579173 /nfs/dbraw/zinc/57/91/73/945579173.db2.gz DTEGUDCQSUTNDR-CHWSQXEVSA-N -1 3 386.416 0.187 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)[C@H]1COC(=O)N1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571267785 945579185 /nfs/dbraw/zinc/57/91/85/945579185.db2.gz DTEGUDCQSUTNDR-CHWSQXEVSA-N -1 3 386.416 0.187 20 0 GCADHM CCC(=O)c1cccc(-c2nnn[n-]2)c1OCC(=O)N1CCCC[C@H]1C(N)=O ZINC001571267917 945581689 /nfs/dbraw/zinc/58/16/89/945581689.db2.gz IZTGLBYCYFOLHZ-ZDUSSCGKSA-N -1 3 386.412 0.705 20 0 GCADHM CCC(=O)c1cccc(-c2nn[n-]n2)c1OCC(=O)N1CCCC[C@H]1C(N)=O ZINC001571267917 945581697 /nfs/dbraw/zinc/58/16/97/945581697.db2.gz IZTGLBYCYFOLHZ-ZDUSSCGKSA-N -1 3 386.412 0.705 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001571268073 945585417 /nfs/dbraw/zinc/58/54/17/945585417.db2.gz MZJWYXPJZVCICK-CMPLNLGQSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001571268073 945585423 /nfs/dbraw/zinc/58/54/23/945585423.db2.gz MZJWYXPJZVCICK-CMPLNLGQSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001571268075 945586083 /nfs/dbraw/zinc/58/60/83/945586083.db2.gz MZJWYXPJZVCICK-PWSUYJOCSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001571268075 945586087 /nfs/dbraw/zinc/58/60/87/945586087.db2.gz MZJWYXPJZVCICK-PWSUYJOCSA-N -1 3 386.395 0.291 20 0 GCADHM CCn1ncc(C(=O)N(C)C2CC(Nc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571268056 945586238 /nfs/dbraw/zinc/58/62/38/945586238.db2.gz MICFCEIXZOKMGY-UHFFFAOYSA-N -1 3 386.395 0.727 20 0 GCADHM CCn1ncc(C(=O)N(C)C2CC(Nc3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571268056 945586241 /nfs/dbraw/zinc/58/62/41/945586241.db2.gz MICFCEIXZOKMGY-UHFFFAOYSA-N -1 3 386.395 0.727 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001571268298 945592157 /nfs/dbraw/zinc/59/21/57/945592157.db2.gz QWQVLXPUYAICFH-TZMCWYRMSA-N -1 3 386.391 0.027 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001571268298 945592163 /nfs/dbraw/zinc/59/21/63/945592163.db2.gz QWQVLXPUYAICFH-TZMCWYRMSA-N -1 3 386.391 0.027 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571268271 945592427 /nfs/dbraw/zinc/59/24/27/945592427.db2.gz PXXRMNILTMEGPL-LLVKDONJSA-N -1 3 386.395 0.318 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571268271 945592431 /nfs/dbraw/zinc/59/24/31/945592431.db2.gz PXXRMNILTMEGPL-LLVKDONJSA-N -1 3 386.395 0.318 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001571268431 945595085 /nfs/dbraw/zinc/59/50/85/945595085.db2.gz RQVFVCBSMRIVTK-WDEREUQCSA-N -1 3 386.395 0.514 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001571268431 945595089 /nfs/dbraw/zinc/59/50/89/945595089.db2.gz RQVFVCBSMRIVTK-WDEREUQCSA-N -1 3 386.395 0.514 20 0 GCADHM CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(Cc2cc(OC)no2)C1 ZINC001571268509 945598471 /nfs/dbraw/zinc/59/84/71/945598471.db2.gz URDIZVJSVBDCEB-GFCCVEGCSA-N -1 3 386.416 0.928 20 0 GCADHM CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(Cc2cc(OC)no2)C1 ZINC001571268509 945598476 /nfs/dbraw/zinc/59/84/76/945598476.db2.gz URDIZVJSVBDCEB-GFCCVEGCSA-N -1 3 386.416 0.928 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1cc(F)ccc1-c1nnn[n-]1)c1ncc[nH]1 ZINC001571268928 945607623 /nfs/dbraw/zinc/60/76/23/945607623.db2.gz ZRLWHKKMBHOCAO-ZDUSSCGKSA-N -1 3 386.391 0.360 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1cc(F)ccc1-c1nn[n-]n1)c1ncc[nH]1 ZINC001571268928 945607628 /nfs/dbraw/zinc/60/76/28/945607628.db2.gz ZRLWHKKMBHOCAO-ZDUSSCGKSA-N -1 3 386.391 0.360 20 0 GCADHM Cc1nc(CN[C@@H](C)[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)co1 ZINC001571269322 945617284 /nfs/dbraw/zinc/61/72/84/945617284.db2.gz VHQUFLFHKDITRN-BONVTDFDSA-N -1 3 386.416 0.511 20 0 GCADHM Cc1nc(CN[C@@H](C)[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)co1 ZINC001571269322 945617287 /nfs/dbraw/zinc/61/72/87/945617287.db2.gz VHQUFLFHKDITRN-BONVTDFDSA-N -1 3 386.416 0.511 20 0 GCADHM Cc1nsc(C)c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571269639 945623086 /nfs/dbraw/zinc/62/30/86/945623086.db2.gz BHKZZZWIUOETQN-NSHDSACASA-N -1 3 386.441 0.913 20 0 GCADHM Cc1nsc(C)c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571269639 945623088 /nfs/dbraw/zinc/62/30/88/945623088.db2.gz BHKZZZWIUOETQN-NSHDSACASA-N -1 3 386.441 0.913 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1NC(=O)c1cncs1 ZINC001571269654 945623111 /nfs/dbraw/zinc/62/31/11/945623111.db2.gz BQMBSQAXDSSUNI-LBPRGKRZSA-N -1 3 386.441 0.932 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1NC(=O)c1cncs1 ZINC001571269654 945623113 /nfs/dbraw/zinc/62/31/13/945623113.db2.gz BQMBSQAXDSSUNI-LBPRGKRZSA-N -1 3 386.441 0.932 20 0 GCADHM Cc1nc(C)c(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)s1 ZINC001571269956 945628137 /nfs/dbraw/zinc/62/81/37/945628137.db2.gz IWEDWQJAOYUHID-UHFFFAOYSA-N -1 3 386.441 0.866 20 0 GCADHM Cc1nc(C)c(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)s1 ZINC001571269956 945628138 /nfs/dbraw/zinc/62/81/38/945628138.db2.gz IWEDWQJAOYUHID-UHFFFAOYSA-N -1 3 386.441 0.866 20 0 GCADHM CCc1ncc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)s1 ZINC001571269963 945629429 /nfs/dbraw/zinc/62/94/29/945629429.db2.gz IZXVRLUOTSSMAF-SNVBAGLBSA-N -1 3 386.441 0.858 20 0 GCADHM CCc1ncc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)s1 ZINC001571269963 945629434 /nfs/dbraw/zinc/62/94/34/945629434.db2.gz IZXVRLUOTSSMAF-SNVBAGLBSA-N -1 3 386.441 0.858 20 0 GCADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cccc(C)n3)C2)c1-c1nnn[n-]1 ZINC001571270068 945631132 /nfs/dbraw/zinc/63/11/32/945631132.db2.gz MEBQAQVESKYJQX-VXGBXAGGSA-N -1 3 386.441 0.315 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccsn1 ZINC001571270210 945631758 /nfs/dbraw/zinc/63/17/58/945631758.db2.gz NMOZIBMLSSIKDP-JTQLQIEISA-N -1 3 386.441 0.934 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccsn1 ZINC001571270210 945631765 /nfs/dbraw/zinc/63/17/65/945631765.db2.gz NMOZIBMLSSIKDP-JTQLQIEISA-N -1 3 386.441 0.934 20 0 GCADHM CCn1cc(C(=O)N[C@@H]2[C@H]3CN(c4snc(C)c4-c4nnn[n-]4)C[C@H]32)nn1 ZINC001571270223 945632581 /nfs/dbraw/zinc/63/25/81/945632581.db2.gz NUNPMYMFMBPKQS-GDGBQDQQSA-N -1 3 386.445 0.108 20 0 GCADHM Cc1nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cs1 ZINC001571270301 945635498 /nfs/dbraw/zinc/63/54/98/945635498.db2.gz PMVFIBCMGITNQF-PRHODGIISA-N -1 3 386.441 0.850 20 0 GCADHM Cc1nc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cs1 ZINC001571270301 945635501 /nfs/dbraw/zinc/63/55/01/945635501.db2.gz PMVFIBCMGITNQF-PRHODGIISA-N -1 3 386.441 0.850 20 0 GCADHM O=C(c1cn[nH]c1)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571270386 945636471 /nfs/dbraw/zinc/63/64/71/945636471.db2.gz SAJFCZRJSRBBCI-UHFFFAOYSA-N -1 3 386.441 0.378 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)c1ncccn1 ZINC001571270407 945636666 /nfs/dbraw/zinc/63/66/66/945636666.db2.gz SZFVEJQGSZULMH-LLVKDONJSA-N -1 3 386.441 0.349 20 0 GCADHM C[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)Cc1cncs1 ZINC001571270380 945637146 /nfs/dbraw/zinc/63/71/46/945637146.db2.gz RTVQNZPMJRGQJB-ONGXEEELSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)Cc1cncs1 ZINC001571270380 945637150 /nfs/dbraw/zinc/63/71/50/945637150.db2.gz RTVQNZPMJRGQJB-ONGXEEELSA-N -1 3 386.441 0.613 20 0 GCADHM O=C(c1ccsn1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571270716 945640432 /nfs/dbraw/zinc/64/04/32/945640432.db2.gz ZPVWFSSDMJRRQX-UHFFFAOYSA-N -1 3 386.441 0.797 20 0 GCADHM O=C(c1ccsn1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571270716 945640436 /nfs/dbraw/zinc/64/04/36/945640436.db2.gz ZPVWFSSDMJRRQX-UHFFFAOYSA-N -1 3 386.441 0.797 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O)c1ccncc1 ZINC001571271587 945646193 /nfs/dbraw/zinc/64/61/93/945646193.db2.gz FFWCIONRFHSEMQ-OLZOCXBDSA-N -1 3 386.803 0.290 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O)c1ccncc1 ZINC001571271587 945646197 /nfs/dbraw/zinc/64/61/97/945646197.db2.gz FFWCIONRFHSEMQ-OLZOCXBDSA-N -1 3 386.803 0.290 20 0 GCADHM CCNC(=O)CN1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000821284127 945664772 /nfs/dbraw/zinc/66/47/72/945664772.db2.gz BHPDFTCSNUPLOK-UHFFFAOYSA-N -1 3 397.443 0.170 20 0 GCADHM CCNC(=O)CN1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000821284127 945664776 /nfs/dbraw/zinc/66/47/76/945664776.db2.gz BHPDFTCSNUPLOK-UHFFFAOYSA-N -1 3 397.443 0.170 20 0 GCADHM CCOC(=O)c1nnc(NC(=O)COc2ccccc2-c2nnn[n-]2)s1 ZINC000821346494 945675001 /nfs/dbraw/zinc/67/50/01/945675001.db2.gz KLWCBBDNQLOCFF-UHFFFAOYSA-N -1 3 375.370 0.912 20 0 GCADHM CCOC(=O)c1nnc(NC(=O)COc2ccccc2-c2nn[n-]n2)s1 ZINC000821346494 945675006 /nfs/dbraw/zinc/67/50/06/945675006.db2.gz KLWCBBDNQLOCFF-UHFFFAOYSA-N -1 3 375.370 0.912 20 0 GCADHM CN1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571273375 945685404 /nfs/dbraw/zinc/68/54/04/945685404.db2.gz WMEBYNIJDYOUBJ-DZGCQCFKSA-N -1 3 386.460 0.385 20 0 GCADHM CN1CCO[C@@H](C(=O)N2CCCC[C@H]2CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571273375 945685409 /nfs/dbraw/zinc/68/54/09/945685409.db2.gz WMEBYNIJDYOUBJ-DZGCQCFKSA-N -1 3 386.460 0.385 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC1(CCO)CCC1 ZINC000821401272 945689075 /nfs/dbraw/zinc/68/90/75/945689075.db2.gz UNLLQDVJVKIDQU-UHFFFAOYSA-N -1 3 388.428 0.873 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1(CCO)CCC1 ZINC000821401272 945689079 /nfs/dbraw/zinc/68/90/79/945689079.db2.gz UNLLQDVJVKIDQU-UHFFFAOYSA-N -1 3 388.428 0.873 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821440750 945694588 /nfs/dbraw/zinc/69/45/88/945694588.db2.gz BIOOFGZQICVPGL-GFCCVEGCSA-N -1 3 393.473 0.605 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821440750 945694592 /nfs/dbraw/zinc/69/45/92/945694592.db2.gz BIOOFGZQICVPGL-GFCCVEGCSA-N -1 3 393.473 0.605 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2COCCN2c2ncc(-c3nnn[n-]3)cc2F)co1 ZINC001571274773 945698450 /nfs/dbraw/zinc/69/84/50/945698450.db2.gz KVXXSEXTHNUJAL-CYBMUJFWSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2COCCN2c2ncc(-c3nn[n-]n3)cc2F)co1 ZINC001571274773 945698459 /nfs/dbraw/zinc/69/84/59/945698459.db2.gz KVXXSEXTHNUJAL-CYBMUJFWSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571275130 945703051 /nfs/dbraw/zinc/70/30/51/945703051.db2.gz PXYCXYNZNKWCRE-JTQLQIEISA-N -1 3 387.379 0.020 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571275130 945703059 /nfs/dbraw/zinc/70/30/59/945703059.db2.gz PXYCXYNZNKWCRE-JTQLQIEISA-N -1 3 387.379 0.020 20 0 GCADHM COc1cc(C(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)on1 ZINC001571275080 945703091 /nfs/dbraw/zinc/70/30/91/945703091.db2.gz OKBBYQHSTYDSRW-UHFFFAOYSA-N -1 3 387.375 0.959 20 0 GCADHM COc1cc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)on1 ZINC001571275080 945703096 /nfs/dbraw/zinc/70/30/96/945703096.db2.gz OKBBYQHSTYDSRW-UHFFFAOYSA-N -1 3 387.375 0.959 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001571275509 945706622 /nfs/dbraw/zinc/70/66/22/945706622.db2.gz VHXOQNQHPAAWHC-ZANVPECISA-N -1 3 387.379 0.466 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001571275509 945706630 /nfs/dbraw/zinc/70/66/30/945706630.db2.gz VHXOQNQHPAAWHC-ZANVPECISA-N -1 3 387.379 0.466 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001571275440 945706892 /nfs/dbraw/zinc/70/68/92/945706892.db2.gz UJDFNCNTMAAQSL-ZIAGYGMSSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001571275440 945706898 /nfs/dbraw/zinc/70/68/98/945706898.db2.gz UJDFNCNTMAAQSL-ZIAGYGMSSA-N -1 3 387.375 0.277 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1n[nH]cc1F)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571275592 945709833 /nfs/dbraw/zinc/70/98/33/945709833.db2.gz YILPMLIKUJZBGU-VIFPVBQESA-N -1 3 387.379 0.434 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1n[nH]cc1F)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571275592 945709838 /nfs/dbraw/zinc/70/98/38/945709838.db2.gz YILPMLIKUJZBGU-VIFPVBQESA-N -1 3 387.379 0.434 20 0 GCADHM CCN1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571275925 945718154 /nfs/dbraw/zinc/71/81/54/945718154.db2.gz FTVUBCVFVCKTPW-HIFRSBDPSA-N -1 3 386.460 0.385 20 0 GCADHM CCN1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571275925 945718167 /nfs/dbraw/zinc/71/81/67/945718167.db2.gz FTVUBCVFVCKTPW-HIFRSBDPSA-N -1 3 386.460 0.385 20 0 GCADHM CN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821570776 945720643 /nfs/dbraw/zinc/72/06/43/945720643.db2.gz KONUVMLQBFKHSI-UHFFFAOYSA-N -1 3 378.458 0.292 20 0 GCADHM CN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821570776 945720651 /nfs/dbraw/zinc/72/06/51/945720651.db2.gz KONUVMLQBFKHSI-UHFFFAOYSA-N -1 3 378.458 0.292 20 0 GCADHM O=C(NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)[C@H]1CCNC(=O)C1 ZINC001571276045 945722220 /nfs/dbraw/zinc/72/22/20/945722220.db2.gz CVYVEBSXIWCXFO-SRVKXCTJSA-N -1 3 387.419 0.839 20 0 GCADHM O=C(NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[C@H]1CCNC(=O)C1 ZINC001571276045 945722228 /nfs/dbraw/zinc/72/22/28/945722228.db2.gz CVYVEBSXIWCXFO-SRVKXCTJSA-N -1 3 387.419 0.839 20 0 GCADHM C[C@]1(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001571276161 945724363 /nfs/dbraw/zinc/72/43/63/945724363.db2.gz DKGMXTTVZIGAIZ-SFHVURJKSA-N -1 3 387.419 0.571 20 0 GCADHM C[C@]1(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001571276161 945724371 /nfs/dbraw/zinc/72/43/71/945724371.db2.gz DKGMXTTVZIGAIZ-SFHVURJKSA-N -1 3 387.419 0.571 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1=COCCO1 ZINC001571276173 945725530 /nfs/dbraw/zinc/72/55/30/945725530.db2.gz DPGZNXCFHXPJDK-LLVKDONJSA-N -1 3 387.400 0.051 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1=COCCO1 ZINC001571276173 945725534 /nfs/dbraw/zinc/72/55/34/945725534.db2.gz DPGZNXCFHXPJDK-LLVKDONJSA-N -1 3 387.400 0.051 20 0 GCADHM O=C(CN1CCCC1=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571276696 945736930 /nfs/dbraw/zinc/73/69/30/945736930.db2.gz JJFFHBCUSFCDLN-AWEZNQCLSA-N -1 3 387.419 0.319 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3cc(F)ccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001571277017 945738111 /nfs/dbraw/zinc/73/81/11/945738111.db2.gz MVYRMOXSUONMFR-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001571277017 945738116 /nfs/dbraw/zinc/73/81/16/945738116.db2.gz MVYRMOXSUONMFR-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001571276988 945738871 /nfs/dbraw/zinc/73/88/71/945738871.db2.gz MBFSNHQZEVOFBR-NSHDSACASA-N -1 3 387.419 0.935 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001571276988 945738873 /nfs/dbraw/zinc/73/88/73/945738873.db2.gz MBFSNHQZEVOFBR-NSHDSACASA-N -1 3 387.419 0.935 20 0 GCADHM O=C(NC1CC(CNc2cccc(F)c2-c2nnn[n-]2)C1)[C@H]1CCNC(=O)C1 ZINC001571277409 945740348 /nfs/dbraw/zinc/74/03/48/945740348.db2.gz PXZQGEXMDZIONM-CXQJBGSLSA-N -1 3 387.419 0.839 20 0 GCADHM O=C(NC1CC(CNc2cccc(F)c2-c2nn[n-]n2)C1)[C@H]1CCNC(=O)C1 ZINC001571277409 945740355 /nfs/dbraw/zinc/74/03/55/945740355.db2.gz PXZQGEXMDZIONM-CXQJBGSLSA-N -1 3 387.419 0.839 20 0 GCADHM CO[C@@H]1CN([C@@H](C)c2nnc(C)o2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571277363 945740515 /nfs/dbraw/zinc/74/05/15/945740515.db2.gz PFTUCOBAIVLICF-ZEGGKSINSA-N -1 3 387.404 0.076 20 0 GCADHM CO[C@@H]1CN([C@@H](C)c2nnc(C)o2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571277363 945740520 /nfs/dbraw/zinc/74/05/20/945740520.db2.gz PFTUCOBAIVLICF-ZEGGKSINSA-N -1 3 387.404 0.076 20 0 GCADHM CN(c1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001571277741 945744558 /nfs/dbraw/zinc/74/45/58/945744558.db2.gz SMRDQBBKIQGNSG-VXGBXAGGSA-N -1 3 387.419 0.521 20 0 GCADHM CN(c1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001571277741 945744566 /nfs/dbraw/zinc/74/45/66/945744566.db2.gz SMRDQBBKIQGNSG-VXGBXAGGSA-N -1 3 387.419 0.521 20 0 GCADHM CC1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001571277660 945744896 /nfs/dbraw/zinc/74/48/96/945744896.db2.gz RKIWJDOLLPREFG-GFCCVEGCSA-N -1 3 387.419 0.760 20 0 GCADHM CC1(NC(=O)[C@H]2CCC(=O)N2)CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001571277660 945744903 /nfs/dbraw/zinc/74/49/03/945744903.db2.gz RKIWJDOLLPREFG-GFCCVEGCSA-N -1 3 387.419 0.760 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001571277760 945747013 /nfs/dbraw/zinc/74/70/13/945747013.db2.gz SQVPHXBOZBMVTL-MFKMUULPSA-N -1 3 387.419 0.885 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001571277760 945747019 /nfs/dbraw/zinc/74/70/19/945747019.db2.gz SQVPHXBOZBMVTL-MFKMUULPSA-N -1 3 387.419 0.885 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571277774 945747555 /nfs/dbraw/zinc/74/75/55/945747555.db2.gz SRNJSERNHRTCFO-RYUDHWBXSA-N -1 3 387.419 0.760 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571277774 945747561 /nfs/dbraw/zinc/74/75/61/945747561.db2.gz SRNJSERNHRTCFO-RYUDHWBXSA-N -1 3 387.419 0.760 20 0 GCADHM O=C(N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571278138 945749190 /nfs/dbraw/zinc/74/91/90/945749190.db2.gz WQZNVPBYZOYKTG-NWDGAFQWSA-N -1 3 387.419 0.617 20 0 GCADHM O=C(N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571278138 945749200 /nfs/dbraw/zinc/74/92/00/945749200.db2.gz WQZNVPBYZOYKTG-NWDGAFQWSA-N -1 3 387.419 0.617 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)C3CCC(F)CC3)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571278348 945750344 /nfs/dbraw/zinc/75/03/44/945750344.db2.gz YFTNTRFFLMYASO-UPJBIVAJSA-N -1 3 387.419 0.910 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)C3CCC(F)CC3)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571278348 945750354 /nfs/dbraw/zinc/75/03/54/945750354.db2.gz YFTNTRFFLMYASO-UPJBIVAJSA-N -1 3 387.419 0.910 20 0 GCADHM CCC(=O)N[C@H]1CC(=O)N(C2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001571278445 945753855 /nfs/dbraw/zinc/75/38/55/945753855.db2.gz ZZRYQRSASMMPGZ-LBPRGKRZSA-N -1 3 387.419 0.317 20 0 GCADHM CCC(=O)N[C@H]1CC(=O)N(C2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001571278445 945753862 /nfs/dbraw/zinc/75/38/62/945753862.db2.gz ZZRYQRSASMMPGZ-LBPRGKRZSA-N -1 3 387.419 0.317 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1csc(=O)[nH]1 ZINC001571278706 945757784 /nfs/dbraw/zinc/75/77/84/945757784.db2.gz AGDWOXPLAPJIRW-DTWKUNHWSA-N -1 3 387.429 0.924 20 0 GCADHM C[C@H]1C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCO1 ZINC001571278732 945757875 /nfs/dbraw/zinc/75/78/75/945757875.db2.gz AYMLMXRCHIJWEA-WUHRBBMRSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H]1C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCO1 ZINC001571278732 945757881 /nfs/dbraw/zinc/75/78/81/945757881.db2.gz AYMLMXRCHIJWEA-WUHRBBMRSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCO1 ZINC001571278731 945758302 /nfs/dbraw/zinc/75/83/02/945758302.db2.gz AYMLMXRCHIJWEA-NDBYEHHHSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCO1 ZINC001571278731 945758310 /nfs/dbraw/zinc/75/83/10/945758310.db2.gz AYMLMXRCHIJWEA-NDBYEHHHSA-N -1 3 387.444 0.635 20 0 GCADHM CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571278727 945758541 /nfs/dbraw/zinc/75/85/41/945758541.db2.gz AUTFWSURTLTQLR-XIKOKIGWSA-N -1 3 387.444 0.684 20 0 GCADHM CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571278727 945758549 /nfs/dbraw/zinc/75/85/49/945758549.db2.gz AUTFWSURTLTQLR-XIKOKIGWSA-N -1 3 387.444 0.684 20 0 GCADHM CO[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1)C(C)C ZINC001571278719 945758571 /nfs/dbraw/zinc/75/85/71/945758571.db2.gz AUKXKKRIAGEOSN-NILFDRSVSA-N -1 3 387.444 0.539 20 0 GCADHM CO[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1)C(C)C ZINC001571278719 945758584 /nfs/dbraw/zinc/75/85/84/945758584.db2.gz AUKXKKRIAGEOSN-NILFDRSVSA-N -1 3 387.444 0.539 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(C(=O)C[C@H]2CCCOC2)C1 ZINC001571278748 945760838 /nfs/dbraw/zinc/76/08/38/945760838.db2.gz BJPQZVQKIFYEGS-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)C[C@H]2CCCOC2)C1 ZINC001571278748 945760849 /nfs/dbraw/zinc/76/08/49/945760849.db2.gz BJPQZVQKIFYEGS-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM CNc1cc2c(nn1)CCN(C(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000821637324 945762761 /nfs/dbraw/zinc/76/27/61/945762761.db2.gz BDIWEKYYSCEACU-UHFFFAOYSA-N -1 3 395.427 0.845 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(C(=O)CC[C@H]2CCOC2)C1 ZINC001571278859 945762827 /nfs/dbraw/zinc/76/28/27/945762827.db2.gz DTNMWANKYWBGBK-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(C(=O)CC[C@H]2CCOC2)C1 ZINC001571278859 945762833 /nfs/dbraw/zinc/76/28/33/945762833.db2.gz DTNMWANKYWBGBK-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM CNC(=O)Cn1cc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821633898 945763134 /nfs/dbraw/zinc/76/31/34/945763134.db2.gz JCEMKNYPDQJLRM-UHFFFAOYSA-N -1 3 385.388 0.010 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCO1 ZINC001571278826 945763126 /nfs/dbraw/zinc/76/31/26/945763126.db2.gz CYYOTQVLFGUNCY-NRWUCQMLSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCO1 ZINC001571278826 945763133 /nfs/dbraw/zinc/76/31/33/945763133.db2.gz CYYOTQVLFGUNCY-NRWUCQMLSA-N -1 3 387.444 0.635 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cnsn1 ZINC001571278856 945763160 /nfs/dbraw/zinc/76/31/60/945763160.db2.gz DRFZZVSCARIIEX-VXGBXAGGSA-N -1 3 387.429 0.055 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cnsn1 ZINC001571278856 945763165 /nfs/dbraw/zinc/76/31/65/945763165.db2.gz DRFZZVSCARIIEX-VXGBXAGGSA-N -1 3 387.429 0.055 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001571278877 945763361 /nfs/dbraw/zinc/76/33/61/945763361.db2.gz FBRKZIZRRWKFPB-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001571278877 945763368 /nfs/dbraw/zinc/76/33/68/945763368.db2.gz FBRKZIZRRWKFPB-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM Cc1nsc(NC[C@@H]2CN(C(=O)c3ccncn3)CCO2)c1-c1nnn[n-]1 ZINC001571279016 945766759 /nfs/dbraw/zinc/76/67/59/945766759.db2.gz GAIAJGMSYFFIJN-SNVBAGLBSA-N -1 3 387.429 0.375 20 0 GCADHM CN(C(=O)C[C@H]1CCCOC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279027 945767732 /nfs/dbraw/zinc/76/77/32/945767732.db2.gz GLEWDLGWRWMNAY-OLZOCXBDSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)C[C@H]1CCCOC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279027 945767735 /nfs/dbraw/zinc/76/77/35/945767735.db2.gz GLEWDLGWRWMNAY-OLZOCXBDSA-N -1 3 387.444 0.684 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)CCCCC1 ZINC001571279060 945770182 /nfs/dbraw/zinc/77/01/82/945770182.db2.gz HPZPDDAJXDHBDS-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)CCCCC1 ZINC001571279060 945770187 /nfs/dbraw/zinc/77/01/87/945770187.db2.gz HPZPDDAJXDHBDS-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM Cc1nnsc1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571279215 945773313 /nfs/dbraw/zinc/77/33/13/945773313.db2.gz LFNDOSVJXBHLOO-UHFFFAOYSA-N -1 3 387.429 0.389 20 0 GCADHM Cc1nnsc1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571279215 945773317 /nfs/dbraw/zinc/77/33/17/945773317.db2.gz LFNDOSVJXBHLOO-UHFFFAOYSA-N -1 3 387.429 0.389 20 0 GCADHM O=C(COc1ccsc1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571279267 945773465 /nfs/dbraw/zinc/77/34/65/945773465.db2.gz MNXLFOSTVCGFGS-UHFFFAOYSA-N -1 3 387.425 0.620 20 0 GCADHM O=C(COc1ccsc1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571279267 945773471 /nfs/dbraw/zinc/77/34/71/945773471.db2.gz MNXLFOSTVCGFGS-UHFFFAOYSA-N -1 3 387.425 0.620 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571279271 945773508 /nfs/dbraw/zinc/77/35/08/945773508.db2.gz MTKBQYNLRRSUIQ-FJJYHAOUSA-N -1 3 387.444 0.729 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571279271 945773515 /nfs/dbraw/zinc/77/35/15/945773515.db2.gz MTKBQYNLRRSUIQ-FJJYHAOUSA-N -1 3 387.444 0.729 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)CC[C@@H]1NC(=O)[C@H]1COCCO1 ZINC001571279246 945773814 /nfs/dbraw/zinc/77/38/14/945773814.db2.gz LXHZTXXMVUBHLD-KGLIPLIRSA-N -1 3 387.444 0.398 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)CC[C@@H]1NC(=O)[C@H]1COCCO1 ZINC001571279246 945773820 /nfs/dbraw/zinc/77/38/20/945773820.db2.gz LXHZTXXMVUBHLD-KGLIPLIRSA-N -1 3 387.444 0.398 20 0 GCADHM COc1ccc(CN2CC(NC(=O)[C@@H]3CCCOCC3)C2)cc1-c1nnn[n-]1 ZINC001571279304 945775545 /nfs/dbraw/zinc/77/55/45/945775545.db2.gz UMWGQXQKASSPTI-CQSZACIVSA-N -1 3 386.456 0.992 20 0 GCADHM COc1ccc(CN2CC(NC(=O)[C@@H]3CCCOCC3)C2)cc1-c1nn[n-]n1 ZINC001571279304 945775548 /nfs/dbraw/zinc/77/55/48/945775548.db2.gz UMWGQXQKASSPTI-CQSZACIVSA-N -1 3 386.456 0.992 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(c1ncccc1-c1nnn[n-]1)CCO2 ZINC001571279406 945777570 /nfs/dbraw/zinc/77/75/70/945777570.db2.gz NSGJVDYBABWVOK-KDOFPFPSSA-N -1 3 387.444 0.086 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(c1ncccc1-c1nn[n-]n1)CCO2 ZINC001571279406 945777573 /nfs/dbraw/zinc/77/75/73/945777573.db2.gz NSGJVDYBABWVOK-KDOFPFPSSA-N -1 3 387.444 0.086 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821654227 945778459 /nfs/dbraw/zinc/77/84/59/945778459.db2.gz XOPPMKBSAMFTGU-OLZOCXBDSA-N -1 3 386.412 0.575 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821654227 945778468 /nfs/dbraw/zinc/77/84/68/945778468.db2.gz XOPPMKBSAMFTGU-OLZOCXBDSA-N -1 3 386.412 0.575 20 0 GCADHM COC(=O)C1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821655361 945779159 /nfs/dbraw/zinc/77/91/59/945779159.db2.gz JVGVLWZZPQXNDU-UHFFFAOYSA-N -1 3 379.442 0.525 20 0 GCADHM COC(=O)C1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821655361 945779163 /nfs/dbraw/zinc/77/91/63/945779163.db2.gz JVGVLWZZPQXNDU-UHFFFAOYSA-N -1 3 379.442 0.525 20 0 GCADHM C[C@@]1(C(=O)N2CCC(O)(CNc3ccc(-c4nnn[n-]4)cn3)CC2)CCOC1 ZINC001571279565 945781345 /nfs/dbraw/zinc/78/13/45/945781345.db2.gz SEDRBWLKMTTXIT-QGZVFWFLSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@]1(C(=O)N2CCC(O)(CNc3ccc(-c4nn[n-]n4)cn3)CC2)CCOC1 ZINC001571279565 945781357 /nfs/dbraw/zinc/78/13/57/945781357.db2.gz SEDRBWLKMTTXIT-QGZVFWFLSA-N -1 3 387.444 0.454 20 0 GCADHM CCOC1CC(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571279550 945782884 /nfs/dbraw/zinc/78/28/84/945782884.db2.gz RXAAHQQIOQRAET-DCBWTQNWSA-N -1 3 387.444 0.588 20 0 GCADHM CCOC1CC(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571279550 945782890 /nfs/dbraw/zinc/78/28/90/945782890.db2.gz RXAAHQQIOQRAET-DCBWTQNWSA-N -1 3 387.444 0.588 20 0 GCADHM COc1ccc(CN2CCN(C(=O)[C@H]3CO[C@@H](C)C3)CC2)cc1-c1nnn[n-]1 ZINC001571279629 945783636 /nfs/dbraw/zinc/78/36/36/945783636.db2.gz XCXFMNGJKNNWIT-DZGCQCFKSA-N -1 3 386.456 0.945 20 0 GCADHM COc1ccc(CN2CCN(C(=O)[C@H]3CO[C@@H](C)C3)CC2)cc1-c1nn[n-]n1 ZINC001571279629 945783645 /nfs/dbraw/zinc/78/36/45/945783645.db2.gz XCXFMNGJKNNWIT-DZGCQCFKSA-N -1 3 386.456 0.945 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)C[C@H]1CCOC1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571279727 945785732 /nfs/dbraw/zinc/78/57/32/945785732.db2.gz UHAUXRXLVDPCDF-OCCSQVGLSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)C[C@H]1CCOC1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571279727 945785737 /nfs/dbraw/zinc/78/57/37/945785737.db2.gz UHAUXRXLVDPCDF-OCCSQVGLSA-N -1 3 387.444 0.684 20 0 GCADHM COCC(=O)N1CCC([C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279780 945787715 /nfs/dbraw/zinc/78/77/15/945787715.db2.gz VNIYFEGJRLUVIK-HNNXBMFYSA-N -1 3 387.444 0.684 20 0 GCADHM COCC(=O)N1CCC([C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571279780 945787716 /nfs/dbraw/zinc/78/77/16/945787716.db2.gz VNIYFEGJRLUVIK-HNNXBMFYSA-N -1 3 387.444 0.684 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C)c1-c1nnn[n-]1 ZINC001571279790 945788844 /nfs/dbraw/zinc/78/88/44/945788844.db2.gz VZPBOBDJFYSPCM-PSASIEDQSA-N -1 3 387.429 0.842 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)n1 ZINC001571279796 945788989 /nfs/dbraw/zinc/78/89/89/945788989.db2.gz WFZFOIQWCLAJPO-UHFFFAOYSA-N -1 3 387.425 0.829 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)n1 ZINC001571279796 945788996 /nfs/dbraw/zinc/78/89/96/945788996.db2.gz WFZFOIQWCLAJPO-UHFFFAOYSA-N -1 3 387.425 0.829 20 0 GCADHM Cc1nsc(NC2CC(N(C)C(=O)c3cnc[nH]c3=O)C2)c1-c1nnn[n-]1 ZINC001571279892 945790204 /nfs/dbraw/zinc/79/02/04/945790204.db2.gz YSPYLMWEJDBVTP-UHFFFAOYSA-N -1 3 387.429 0.842 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNC(=O)c2cnns2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571279854 945790814 /nfs/dbraw/zinc/79/08/14/945790814.db2.gz XYRZHUSWUDMCNB-RKDXNWHRSA-N -1 3 387.429 0.375 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNC(=O)c2cnns2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571279854 945790824 /nfs/dbraw/zinc/79/08/24/945790824.db2.gz XYRZHUSWUDMCNB-RKDXNWHRSA-N -1 3 387.429 0.375 20 0 GCADHM CC(C)(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001571279891 945791520 /nfs/dbraw/zinc/79/15/20/945791520.db2.gz YSIQQSXZONLECO-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001571279891 945791533 /nfs/dbraw/zinc/79/15/33/945791533.db2.gz YSIQQSXZONLECO-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CO[C@@H](CC(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571279941 945792695 /nfs/dbraw/zinc/79/26/95/945792695.db2.gz ZVVHGFAVPZFKMX-NEPJUHHUSA-N -1 3 387.444 0.731 20 0 GCADHM CC1(C)CO[C@@H](CC(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571279941 945792707 /nfs/dbraw/zinc/79/27/07/945792707.db2.gz ZVVHGFAVPZFKMX-NEPJUHHUSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573447137 945797319 /nfs/dbraw/zinc/79/73/19/945797319.db2.gz WUNIHFSSYUKMFH-CRAIPNDOSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573447137 945797340 /nfs/dbraw/zinc/79/73/40/945797340.db2.gz WUNIHFSSYUKMFH-CRAIPNDOSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573447393 945799173 /nfs/dbraw/zinc/79/91/73/945799173.db2.gz YBPVRBGFXFDARW-SWLSCSKDSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573447393 945799177 /nfs/dbraw/zinc/79/91/77/945799177.db2.gz YBPVRBGFXFDARW-SWLSCSKDSA-N -1 3 386.460 0.888 20 0 GCADHM COC[C@@]1(C)CC(=O)N(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000821683639 945806628 /nfs/dbraw/zinc/80/66/28/945806628.db2.gz GQJHWJJFTDJUCY-SFHVURJKSA-N -1 3 386.460 0.226 20 0 GCADHM COC[C@@]1(C)CC(=O)N(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821683639 945806638 /nfs/dbraw/zinc/80/66/38/945806638.db2.gz GQJHWJJFTDJUCY-SFHVURJKSA-N -1 3 386.460 0.226 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573448425 945806678 /nfs/dbraw/zinc/80/66/78/945806678.db2.gz JSUHDLRTMLGAAD-UKRRQHHQSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573448425 945806688 /nfs/dbraw/zinc/80/66/88/945806688.db2.gz JSUHDLRTMLGAAD-UKRRQHHQSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573448829 945808400 /nfs/dbraw/zinc/80/84/00/945808400.db2.gz NZXQIGVVQLMUGC-NOZJJQNGSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573448829 945808408 /nfs/dbraw/zinc/80/84/08/945808408.db2.gz NZXQIGVVQLMUGC-NOZJJQNGSA-N -1 3 376.396 0.328 20 0 GCADHM COCCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821687199 945814888 /nfs/dbraw/zinc/81/48/88/945814888.db2.gz SYFBNMXIYHFSLZ-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM COCCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821687199 945814892 /nfs/dbraw/zinc/81/48/92/945814892.db2.gz SYFBNMXIYHFSLZ-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573449279 945816158 /nfs/dbraw/zinc/81/61/58/945816158.db2.gz XEOHPFNNIFJURG-MRXNPFEDSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573449289 945816445 /nfs/dbraw/zinc/81/64/45/945816445.db2.gz XOXOKHMJLAEJBC-QMTHXVAHSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573449289 945816455 /nfs/dbraw/zinc/81/64/55/945816455.db2.gz XOXOKHMJLAEJBC-QMTHXVAHSA-N -1 3 390.423 0.718 20 0 GCADHM CCc1nnc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)s1 ZINC001571282009 945822010 /nfs/dbraw/zinc/82/20/10/945822010.db2.gz RAENPJJKFDTAHX-VIFPVBQESA-N -1 3 387.473 0.859 20 0 GCADHM CCc1nnc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)s1 ZINC001571282009 945822025 /nfs/dbraw/zinc/82/20/25/945822025.db2.gz RAENPJJKFDTAHX-VIFPVBQESA-N -1 3 387.473 0.859 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)C2CCOCC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571282019 945823753 /nfs/dbraw/zinc/82/37/53/945823753.db2.gz CGYCEHAVYVLTGC-SMDDNHRTSA-N -1 3 387.444 0.636 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)C2CCOCC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571282019 945823768 /nfs/dbraw/zinc/82/37/68/945823768.db2.gz CGYCEHAVYVLTGC-SMDDNHRTSA-N -1 3 387.444 0.636 20 0 GCADHM O=C(C[C@H]1CCCO1)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571282092 945826462 /nfs/dbraw/zinc/82/64/62/945826462.db2.gz 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ZINC001571282551 945850655 /nfs/dbraw/zinc/85/06/55/945850655.db2.gz KCUQKCYOTZTYEI-AWEZNQCLSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571282551 945850667 /nfs/dbraw/zinc/85/06/67/945850667.db2.gz KCUQKCYOTZTYEI-AWEZNQCLSA-N -1 3 387.444 0.732 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573452684 945854055 /nfs/dbraw/zinc/85/40/55/945854055.db2.gz HEQNBIIEKDVZPX-SGTLLEGYSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573452684 945854069 /nfs/dbraw/zinc/85/40/69/945854069.db2.gz HEQNBIIEKDVZPX-SGTLLEGYSA-N -1 3 388.476 0.753 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)C2CCC(O)CC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571282629 945855642 /nfs/dbraw/zinc/85/56/42/945855642.db2.gz MSGIHCVRHPLRCX-GECNGDSQSA-N -1 3 387.444 0.371 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)C2CCC(O)CC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571282629 945855659 /nfs/dbraw/zinc/85/56/59/945855659.db2.gz MSGIHCVRHPLRCX-GECNGDSQSA-N -1 3 387.444 0.371 20 0 GCADHM CC[C@@H](NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(=O)NC ZINC001571282609 945856198 /nfs/dbraw/zinc/85/61/98/945856198.db2.gz LUPNXSUHPDPFSC-CYBMUJFWSA-N -1 3 387.448 0.054 20 0 GCADHM CC[C@@H](NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(=O)NC ZINC001571282609 945856211 /nfs/dbraw/zinc/85/62/11/945856211.db2.gz LUPNXSUHPDPFSC-CYBMUJFWSA-N -1 3 387.448 0.054 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573453632 945863503 /nfs/dbraw/zinc/86/35/03/945863503.db2.gz NNUUWCQGQKXWSI-BMLIUANNSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573453632 945863516 /nfs/dbraw/zinc/86/35/16/945863516.db2.gz NNUUWCQGQKXWSI-BMLIUANNSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCCCO2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282784 945863814 /nfs/dbraw/zinc/86/38/14/945863814.db2.gz 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Cc1nc(NC[C@H]2CN(C(=O)C[C@@H]3CCCO3)CCO2)ccc1-c1nnn[n-]1 ZINC001571283036 945871480 /nfs/dbraw/zinc/87/14/80/945871480.db2.gz YIMNFVCFAKHHHW-KBPBESRZSA-N -1 3 387.444 0.779 20 0 GCADHM Cc1nc(NC[C@H]2CN(C(=O)C[C@@H]3CCCO3)CCO2)ccc1-c1nn[n-]n1 ZINC001571283036 945871491 /nfs/dbraw/zinc/87/14/91/945871491.db2.gz YIMNFVCFAKHHHW-KBPBESRZSA-N -1 3 387.444 0.779 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)C[C@H]3CCCO3)CCO2)ccc1-c1nnn[n-]1 ZINC001571283039 945872489 /nfs/dbraw/zinc/87/24/89/945872489.db2.gz YIMNFVCFAKHHHW-ZIAGYGMSSA-N -1 3 387.444 0.779 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)C[C@H]3CCCO3)CCO2)ccc1-c1nn[n-]n1 ZINC001571283039 945872503 /nfs/dbraw/zinc/87/25/03/945872503.db2.gz YIMNFVCFAKHHHW-ZIAGYGMSSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573454037 945873589 /nfs/dbraw/zinc/87/35/89/945873589.db2.gz UXYVBKYMYBSBOO-SGTLLEGYSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C 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/nfs/dbraw/zinc/87/62/06/945876206.db2.gz WWCNCSDHVHLVCC-KPZWWZAWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CN(C)c1ncccc1-c1nn[n-]n1)C(C)C ZINC001573454300 945876221 /nfs/dbraw/zinc/87/62/21/945876221.db2.gz WWCNCSDHVHLVCC-KPZWWZAWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573454318 945876642 /nfs/dbraw/zinc/87/66/42/945876642.db2.gz XMYOQPLUSODREU-ACJLOTCBSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573454318 945876656 /nfs/dbraw/zinc/87/66/56/945876656.db2.gz XMYOQPLUSODREU-ACJLOTCBSA-N -1 3 386.460 0.507 20 0 GCADHM O=C(C[C@@H]1CCOC1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571283143 945876915 /nfs/dbraw/zinc/87/69/15/945876915.db2.gz ZYYMQFWRSMOIAW-ZDUSSCGKSA-N -1 3 387.444 0.454 20 0 GCADHM O=C(C[C@@H]1CCOC1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571283143 945876920 /nfs/dbraw/zinc/87/69/20/945876920.db2.gz 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ZINC001573462533 945942686 /nfs/dbraw/zinc/94/26/86/945942686.db2.gz KWZDYYNWZRYKPG-CYBMUJFWSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573462533 945942696 /nfs/dbraw/zinc/94/26/96/945942696.db2.gz KWZDYYNWZRYKPG-CYBMUJFWSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573462761 945944815 /nfs/dbraw/zinc/94/48/15/945944815.db2.gz MWEAHIVWYFNRDH-TZMCWYRMSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573462761 945944823 /nfs/dbraw/zinc/94/48/23/945944823.db2.gz MWEAHIVWYFNRDH-TZMCWYRMSA-N -1 3 386.460 0.873 20 0 GCADHM COc1ccc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)cc1-c1nnn[n-]1 ZINC001571286472 945947812 /nfs/dbraw/zinc/94/78/12/945947812.db2.gz IVEYIMPSQHLHKC-CJNGLKHVSA-N -1 3 388.428 0.694 20 0 GCADHM COc1ccc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)cc1-c1nn[n-]n1 ZINC001571286472 945947817 /nfs/dbraw/zinc/94/78/17/945947817.db2.gz IVEYIMPSQHLHKC-CJNGLKHVSA-N -1 3 388.428 0.694 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)[C@H]1C ZINC001573462967 945950221 /nfs/dbraw/zinc/95/02/21/945950221.db2.gz PWDQKFAMIQKJKG-SMDDNHRTSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)[C@H]1C ZINC001573462967 945950227 /nfs/dbraw/zinc/95/02/27/945950227.db2.gz PWDQKFAMIQKJKG-SMDDNHRTSA-N -1 3 386.460 0.650 20 0 GCADHM CCOC(=O)[C@H](C[C@H]1CCCO1)N[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571286575 945953531 /nfs/dbraw/zinc/95/35/31/945953531.db2.gz LIUGYIBNGHPBFB-QLFBSQMISA-N -1 3 388.428 0.484 20 0 GCADHM CCOC(=O)[C@H](C[C@H]1CCCO1)N[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571286575 945953535 /nfs/dbraw/zinc/95/35/35/945953535.db2.gz LIUGYIBNGHPBFB-QLFBSQMISA-N -1 3 388.428 0.484 20 0 GCADHM COc1cc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)sn1 ZINC001571286712 945955753 /nfs/dbraw/zinc/95/57/53/945955753.db2.gz PPWGDBWLUDGRTM-UHFFFAOYSA-N -1 3 388.413 0.258 20 0 GCADHM COc1cc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)sn1 ZINC001571286712 945955761 /nfs/dbraw/zinc/95/57/61/945955761.db2.gz PPWGDBWLUDGRTM-UHFFFAOYSA-N -1 3 388.413 0.258 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573463471 945956202 /nfs/dbraw/zinc/95/62/02/945956202.db2.gz WTDQUDPEUQNBOF-CQSZACIVSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573463471 945956207 /nfs/dbraw/zinc/95/62/07/945956207.db2.gz WTDQUDPEUQNBOF-CQSZACIVSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573463783 945961921 /nfs/dbraw/zinc/96/19/21/945961921.db2.gz BALWKXMJOBUOCD-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573463783 945961931 /nfs/dbraw/zinc/96/19/31/945961931.db2.gz BALWKXMJOBUOCD-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CCOC(=O)C[C@@H](O)C(=O)N1CCC(Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001571287006 945965180 /nfs/dbraw/zinc/96/51/80/945965180.db2.gz XUKVBBFHDGKTKJ-OAHLLOKOSA-N -1 3 388.428 0.584 20 0 GCADHM CCOC(=O)C[C@@H](O)C(=O)N1CCC(Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001571287006 945965185 /nfs/dbraw/zinc/96/51/85/945965185.db2.gz XUKVBBFHDGKTKJ-OAHLLOKOSA-N -1 3 388.428 0.584 20 0 GCADHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001571287058 945968219 /nfs/dbraw/zinc/96/82/19/945968219.db2.gz ZMDKGXITQZOIDV-QXSJWSMHSA-N -1 3 388.428 0.345 20 0 GCADHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001571287058 945968230 /nfs/dbraw/zinc/96/82/30/945968230.db2.gz ZMDKGXITQZOIDV-QXSJWSMHSA-N -1 3 388.428 0.345 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573464578 945969171 /nfs/dbraw/zinc/96/91/71/945969171.db2.gz NKNCHYNQWYSWPB-MRVPVSSYSA-N -1 3 380.478 0.853 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573467830 945986603 /nfs/dbraw/zinc/98/66/03/945986603.db2.gz JAUIZTOOEACJTO-JTQLQIEISA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573467830 945986613 /nfs/dbraw/zinc/98/66/13/945986613.db2.gz JAUIZTOOEACJTO-JTQLQIEISA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573467797 945987046 /nfs/dbraw/zinc/98/70/46/945987046.db2.gz IFQKGNWJHPTXOD-XHDPSFHLSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573467827 945987099 /nfs/dbraw/zinc/98/70/99/945987099.db2.gz IYKJOSLGAXMOBV-NSHDSACASA-N -1 3 390.448 0.028 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573467827 945987102 /nfs/dbraw/zinc/98/71/02/945987102.db2.gz IYKJOSLGAXMOBV-NSHDSACASA-N -1 3 390.448 0.028 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573467796 945987230 /nfs/dbraw/zinc/98/72/30/945987230.db2.gz IFQKGNWJHPTXOD-NHYWBVRUSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573467946 945989559 /nfs/dbraw/zinc/98/95/59/945989559.db2.gz JMPVCRGRTLCOKI-LBPRGKRZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573467946 945989564 /nfs/dbraw/zinc/98/95/64/945989564.db2.gz JMPVCRGRTLCOKI-LBPRGKRZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573468409 945995767 /nfs/dbraw/zinc/99/57/67/945995767.db2.gz NWVBFUWPATYQHT-LLVKDONJSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573468409 945995772 /nfs/dbraw/zinc/99/57/72/945995772.db2.gz NWVBFUWPATYQHT-LLVKDONJSA-N -1 3 389.435 0.958 20 0 GCADHM Cc1cc(OCC(=O)O[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)no1 ZINC000822210932 945996795 /nfs/dbraw/zinc/99/67/95/945996795.db2.gz XJFQCRUIYDSFHP-SNVBAGLBSA-N -1 3 390.381 0.952 20 0 GCADHM Cc1cc(OCC(=O)O[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)no1 ZINC000822210932 945996803 /nfs/dbraw/zinc/99/68/03/945996803.db2.gz XJFQCRUIYDSFHP-SNVBAGLBSA-N -1 3 390.381 0.952 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822210941 945996818 /nfs/dbraw/zinc/99/68/18/945996818.db2.gz XWHSROJGHBSTHL-LLVKDONJSA-N -1 3 398.379 0.785 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@H](C)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822210941 945996827 /nfs/dbraw/zinc/99/68/27/945996827.db2.gz XWHSROJGHBSTHL-LLVKDONJSA-N -1 3 398.379 0.785 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CC(Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573468927 946001059 /nfs/dbraw/zinc/00/10/59/946001059.db2.gz RRIDGOOTPNUOKF-HUUUCTMMSA-N -1 3 392.851 0.841 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CC(Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573468927 946001072 /nfs/dbraw/zinc/00/10/72/946001072.db2.gz RRIDGOOTPNUOKF-HUUUCTMMSA-N -1 3 392.851 0.841 20 0 GCADHM Cc1nsc(NC2CCN(C(=O)CCn3ccnn3)CC2)c1-c1nnn[n-]1 ZINC001571289372 946003236 /nfs/dbraw/zinc/00/32/36/946003236.db2.gz AWYFOTBLTHVHRQ-UHFFFAOYSA-N -1 3 388.461 0.716 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573469417 946005737 /nfs/dbraw/zinc/00/57/37/946005737.db2.gz VSICEOGNRQFLSN-SMDDNHRTSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573469417 946005748 /nfs/dbraw/zinc/00/57/48/946005748.db2.gz VSICEOGNRQFLSN-SMDDNHRTSA-N -1 3 389.435 0.563 20 0 GCADHM COc1cc(C(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)nn1C ZINC001571289785 946017425 /nfs/dbraw/zinc/01/74/25/946017425.db2.gz MMLHRWOOGUKTNL-UHFFFAOYSA-N -1 3 388.457 0.627 20 0 GCADHM Cc1nsc(N2CCC[C@@H](NC(=O)c3ncn(C)n3)CC2)c1-c1nnn[n-]1 ZINC001571289794 946018560 /nfs/dbraw/zinc/01/85/60/946018560.db2.gz MOSATLVCKVERQI-SNVBAGLBSA-N -1 3 388.461 0.549 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573470245 946018810 /nfs/dbraw/zinc/01/88/10/946018810.db2.gz BKDQFGDTIYWCAX-OCCSQVGLSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573470245 946018813 /nfs/dbraw/zinc/01/88/13/946018813.db2.gz BKDQFGDTIYWCAX-OCCSQVGLSA-N -1 3 386.460 0.379 20 0 GCADHM Cc1nsc(NCC[C@@H]2CCN(C(=O)c3ncn(C)n3)C2)c1-c1nnn[n-]1 ZINC001571289845 946020558 /nfs/dbraw/zinc/02/05/58/946020558.db2.gz NVAJWKQNVIVZFA-SNVBAGLBSA-N -1 3 388.461 0.724 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573470322 946021614 /nfs/dbraw/zinc/02/16/14/946021614.db2.gz CUIJTWZBKVNJLS-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573470322 946021631 /nfs/dbraw/zinc/02/16/31/946021631.db2.gz CUIJTWZBKVNJLS-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573470319 946022181 /nfs/dbraw/zinc/02/21/81/946022181.db2.gz CUIJTWZBKVNJLS-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573470319 946022190 /nfs/dbraw/zinc/02/21/90/946022190.db2.gz CUIJTWZBKVNJLS-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573470321 946022426 /nfs/dbraw/zinc/02/24/26/946022426.db2.gz CUIJTWZBKVNJLS-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573470321 946022435 /nfs/dbraw/zinc/02/24/35/946022435.db2.gz CUIJTWZBKVNJLS-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573470485 946026666 /nfs/dbraw/zinc/02/66/66/946026666.db2.gz FSOCGINBHVOXNX-GXSJLCMTSA-N -1 3 378.462 0.559 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001573470499 946026954 /nfs/dbraw/zinc/02/69/54/946026954.db2.gz FYMZIUYJBBCDOQ-DFBGVHRSSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001573470499 946026966 /nfs/dbraw/zinc/02/69/66/946026966.db2.gz FYMZIUYJBBCDOQ-DFBGVHRSSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573470538 946027463 /nfs/dbraw/zinc/02/74/63/946027463.db2.gz GQHRIQADHCCJDK-PWSUYJOCSA-N -1 3 392.489 0.441 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573470595 946030910 /nfs/dbraw/zinc/03/09/10/946030910.db2.gz HPDJFGCXQBJBER-JQWIXIFHSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573470595 946030926 /nfs/dbraw/zinc/03/09/26/946030926.db2.gz HPDJFGCXQBJBER-JQWIXIFHSA-N -1 3 375.408 0.933 20 0 GCADHM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CCC(=O)N2)c1-c1nnn[n-]1 ZINC001571290276 946034741 /nfs/dbraw/zinc/03/47/41/946034741.db2.gz ZDASXTHDLJWGQN-VWYCJHECSA-N -1 3 388.457 0.090 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573470886 946035495 /nfs/dbraw/zinc/03/54/95/946035495.db2.gz KGUYVAQFDXQKCU-BNOWGMLFSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573470886 946035511 /nfs/dbraw/zinc/03/55/11/946035511.db2.gz KGUYVAQFDXQKCU-BNOWGMLFSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573470856 946038388 /nfs/dbraw/zinc/03/83/88/946038388.db2.gz KEPIWYBGGZFCBM-WCFLWFBJSA-N -1 3 389.485 0.628 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[n-]n2)s1 ZINC001573470856 946038405 /nfs/dbraw/zinc/03/84/05/946038405.db2.gz KEPIWYBGGZFCBM-WCFLWFBJSA-N -1 3 389.485 0.628 20 0 GCADHM Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O ZINC001571290360 946039176 /nfs/dbraw/zinc/03/91/76/946039176.db2.gz BVOHFSNGDHVQLJ-OLZOCXBDSA-N -1 3 388.819 0.531 20 0 GCADHM Cc1[nH]ccc1C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O ZINC001571290360 946039189 /nfs/dbraw/zinc/03/91/89/946039189.db2.gz BVOHFSNGDHVQLJ-OLZOCXBDSA-N -1 3 388.819 0.531 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573471107 946041804 /nfs/dbraw/zinc/04/18/04/946041804.db2.gz MDVQJNVKWWTYPP-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573471107 946041811 /nfs/dbraw/zinc/04/18/11/946041811.db2.gz MDVQJNVKWWTYPP-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571290455 946044771 /nfs/dbraw/zinc/04/47/71/946044771.db2.gz FLLWOYHDYJLAIR-QPUJVOFHSA-N -1 3 388.823 0.616 20 0 GCADHM C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571290455 946044783 /nfs/dbraw/zinc/04/47/83/946044783.db2.gz FLLWOYHDYJLAIR-QPUJVOFHSA-N -1 3 388.823 0.616 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471262 946047718 /nfs/dbraw/zinc/04/77/18/946047718.db2.gz NPXAIPQWIHNLBM-AAEUAGOBSA-N -1 3 389.435 0.815 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471262 946047732 /nfs/dbraw/zinc/04/77/32/946047732.db2.gz NPXAIPQWIHNLBM-AAEUAGOBSA-N -1 3 389.435 0.815 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)c1ccc(Cl)[nH]1 ZINC001571290587 946048220 /nfs/dbraw/zinc/04/82/20/946048220.db2.gz JMXLNGFXFMXRDZ-NSHDSACASA-N -1 3 388.819 0.878 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)c1ccc(Cl)[nH]1 ZINC001571290587 946048229 /nfs/dbraw/zinc/04/82/29/946048229.db2.gz JMXLNGFXFMXRDZ-NSHDSACASA-N -1 3 388.819 0.878 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573471366 946048425 /nfs/dbraw/zinc/04/84/25/946048425.db2.gz OFZAJINOZGXQHF-GFCCVEGCSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573471366 946048431 /nfs/dbraw/zinc/04/84/31/946048431.db2.gz OFZAJINOZGXQHF-GFCCVEGCSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573471451 946048946 /nfs/dbraw/zinc/04/89/46/946048946.db2.gz PAQWFQQJEJRSNL-JSGCOSHPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573471451 946048962 /nfs/dbraw/zinc/04/89/62/946048962.db2.gz PAQWFQQJEJRSNL-JSGCOSHPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471570 946053777 /nfs/dbraw/zinc/05/37/77/946053777.db2.gz PNMHKYHVWTVTNH-CMPLNLGQSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471570 946053788 /nfs/dbraw/zinc/05/37/88/946053788.db2.gz PNMHKYHVWTVTNH-CMPLNLGQSA-N -1 3 375.408 0.791 20 0 GCADHM Cn1cc(Cl)cc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571290902 946058683 /nfs/dbraw/zinc/05/86/83/946058683.db2.gz TZWFSIKEITUBEI-UHFFFAOYSA-N -1 3 388.819 0.785 20 0 GCADHM Cn1cc(Cl)cc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571290902 946058697 /nfs/dbraw/zinc/05/86/97/946058697.db2.gz TZWFSIKEITUBEI-UHFFFAOYSA-N -1 3 388.819 0.785 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573472706 946069981 /nfs/dbraw/zinc/06/99/81/946069981.db2.gz XTTUXVBHEYXWQZ-JTQLQIEISA-N -1 3 392.489 0.583 20 0 GCADHM Cc1nnsc1C(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571291251 946072164 /nfs/dbraw/zinc/07/21/64/946072164.db2.gz HHPQSONDPGHNMF-UHFFFAOYSA-N -1 3 389.420 0.913 20 0 GCADHM Cc1nnsc1C(=O)N1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571291251 946072173 /nfs/dbraw/zinc/07/21/73/946072173.db2.gz HHPQSONDPGHNMF-UHFFFAOYSA-N -1 3 389.420 0.913 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573472971 946072446 /nfs/dbraw/zinc/07/24/46/946072446.db2.gz YNFKDNJNLDACGF-TZMCWYRMSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573472971 946072458 /nfs/dbraw/zinc/07/24/58/946072458.db2.gz YNFKDNJNLDACGF-TZMCWYRMSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573472970 946073430 /nfs/dbraw/zinc/07/34/30/946073430.db2.gz YNFKDNJNLDACGF-OCCSQVGLSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573472970 946073444 /nfs/dbraw/zinc/07/34/44/946073444.db2.gz YNFKDNJNLDACGF-OCCSQVGLSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573472985 946074704 /nfs/dbraw/zinc/07/47/04/946074704.db2.gz YRSBAFXRSNTFRF-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573472985 946074710 /nfs/dbraw/zinc/07/47/10/946074710.db2.gz YRSBAFXRSNTFRF-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573472986 946075184 /nfs/dbraw/zinc/07/51/84/946075184.db2.gz YRSBAFXRSNTFRF-RYUDHWBXSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573472986 946075194 /nfs/dbraw/zinc/07/51/94/946075194.db2.gz YRSBAFXRSNTFRF-RYUDHWBXSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573473156 946077453 /nfs/dbraw/zinc/07/74/53/946077453.db2.gz ZSPULDNOOBNWAO-PWSUYJOCSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573473156 946077465 /nfs/dbraw/zinc/07/74/65/946077465.db2.gz ZSPULDNOOBNWAO-PWSUYJOCSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573473381 946078894 /nfs/dbraw/zinc/07/88/94/946078894.db2.gz CBCMBCBAELHLAD-LLVKDONJSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573473381 946078907 /nfs/dbraw/zinc/07/89/07/946078907.db2.gz CBCMBCBAELHLAD-LLVKDONJSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573473483 946079812 /nfs/dbraw/zinc/07/98/12/946079812.db2.gz DINFUXBGYUGVOD-BNOWGMLFSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573473483 946079821 /nfs/dbraw/zinc/07/98/21/946079821.db2.gz DINFUXBGYUGVOD-BNOWGMLFSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001573473577 946082631 /nfs/dbraw/zinc/08/26/31/946082631.db2.gz FAKRJMLRJGGYKK-ADLMAVQZSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001573473577 946082645 /nfs/dbraw/zinc/08/26/45/946082645.db2.gz FAKRJMLRJGGYKK-ADLMAVQZSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573474090 946084974 /nfs/dbraw/zinc/08/49/74/946084974.db2.gz IGLCYOYHITVZJU-MNOVXSKESA-N -1 3 389.435 0.467 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@]1(F)CCOC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571292013 946086250 /nfs/dbraw/zinc/08/62/50/946086250.db2.gz SQTKRQFKOUJBKT-PBYNLASCSA-N -1 3 389.391 0.185 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@]1(F)CCOC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571292013 946086264 /nfs/dbraw/zinc/08/62/64/946086264.db2.gz SQTKRQFKOUJBKT-PBYNLASCSA-N -1 3 389.391 0.185 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573474295 946088579 /nfs/dbraw/zinc/08/85/79/946088579.db2.gz KEDFHNUTDUKCJE-JTQLQIEISA-N -1 3 378.462 0.195 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)[C@H]1COC(=O)N1 ZINC001571292131 946089667 /nfs/dbraw/zinc/08/96/67/946089667.db2.gz UFMYLXVZMPQNDJ-OPQQBVKSSA-N -1 3 389.391 0.811 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[C@H]1COC(=O)N1 ZINC001571292131 946089677 /nfs/dbraw/zinc/08/96/77/946089677.db2.gz UFMYLXVZMPQNDJ-OPQQBVKSSA-N -1 3 389.391 0.811 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@](C)(CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573474363 946090100 /nfs/dbraw/zinc/09/01/00/946090100.db2.gz KXYGTPRINBZEFM-ABKXIKBNSA-N -1 3 392.489 0.853 20 0 GCADHM O=C(c1ccn(CC(F)F)n1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571292182 946090766 /nfs/dbraw/zinc/09/07/66/946090766.db2.gz VCYORDXUFGPTSV-UHFFFAOYSA-N -1 3 389.370 0.686 20 0 GCADHM O=C(c1ccn(CC(F)F)n1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571292182 946090773 /nfs/dbraw/zinc/09/07/73/946090773.db2.gz VCYORDXUFGPTSV-UHFFFAOYSA-N -1 3 389.370 0.686 20 0 GCADHM Cc1cscc1C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001571292276 946093548 /nfs/dbraw/zinc/09/35/48/946093548.db2.gz XBPMJGJQBGPDSV-CHWSQXEVSA-N -1 3 389.416 0.750 20 0 GCADHM Cc1cscc1C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001571292276 946093558 /nfs/dbraw/zinc/09/35/58/946093558.db2.gz XBPMJGJQBGPDSV-CHWSQXEVSA-N -1 3 389.416 0.750 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573474678 946094760 /nfs/dbraw/zinc/09/47/60/946094760.db2.gz MTVNUKCYUSUZJX-OCCSQVGLSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573474678 946094773 /nfs/dbraw/zinc/09/47/73/946094773.db2.gz MTVNUKCYUSUZJX-OCCSQVGLSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573475353 946099612 /nfs/dbraw/zinc/09/96/12/946099612.db2.gz RRBSKUOMPQVYIN-SWLSCSKDSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573475353 946099624 /nfs/dbraw/zinc/09/96/24/946099624.db2.gz RRBSKUOMPQVYIN-SWLSCSKDSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573475213 946099749 /nfs/dbraw/zinc/09/97/49/946099749.db2.gz QTZUJQDLCRNXSR-WFASDCNBSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573475213 946099759 /nfs/dbraw/zinc/09/97/59/946099759.db2.gz QTZUJQDLCRNXSR-WFASDCNBSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573475371 946099812 /nfs/dbraw/zinc/09/98/12/946099812.db2.gz SFBGCQBCAUORSR-JTQLQIEISA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573475371 946099824 /nfs/dbraw/zinc/09/98/24/946099824.db2.gz SFBGCQBCAUORSR-JTQLQIEISA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573475212 946100463 /nfs/dbraw/zinc/10/04/63/946100463.db2.gz QTZUJQDLCRNXSR-SWLSCSKDSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573475212 946100471 /nfs/dbraw/zinc/10/04/71/946100471.db2.gz QTZUJQDLCRNXSR-SWLSCSKDSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573475211 946100874 /nfs/dbraw/zinc/10/08/74/946100874.db2.gz QTZUJQDLCRNXSR-IUODEOHRSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573475211 946100881 /nfs/dbraw/zinc/10/08/81/946100881.db2.gz QTZUJQDLCRNXSR-IUODEOHRSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573476083 946112605 /nfs/dbraw/zinc/11/26/05/946112605.db2.gz YTYUUKUMJPRYHS-GFCCVEGCSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573476083 946112608 /nfs/dbraw/zinc/11/26/08/946112608.db2.gz YTYUUKUMJPRYHS-GFCCVEGCSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001573476125 946113559 /nfs/dbraw/zinc/11/35/59/946113559.db2.gz ZSUVDBDFZQQDBK-FVMIAERFSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001573476125 946113566 /nfs/dbraw/zinc/11/35/66/946113566.db2.gz ZSUVDBDFZQQDBK-FVMIAERFSA-N -1 3 384.444 0.071 20 0 GCADHM Cc1noc(N)c1C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822528272 946115265 /nfs/dbraw/zinc/11/52/65/946115265.db2.gz ZNBJGIRXJVROEK-QMMMGPOBSA-N -1 3 375.370 0.769 20 0 GCADHM Cc1noc(N)c1C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822528272 946115268 /nfs/dbraw/zinc/11/52/68/946115268.db2.gz ZNBJGIRXJVROEK-QMMMGPOBSA-N -1 3 375.370 0.769 20 0 GCADHM C[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001571293821 946118518 /nfs/dbraw/zinc/11/85/18/946118518.db2.gz SPPWXKKXDPCAOR-TZMCWYRMSA-N -1 3 389.435 0.279 20 0 GCADHM C[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001571293821 946118524 /nfs/dbraw/zinc/11/85/24/946118524.db2.gz SPPWXKKXDPCAOR-TZMCWYRMSA-N -1 3 389.435 0.279 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571293833 946119275 /nfs/dbraw/zinc/11/92/75/946119275.db2.gz SVGLNXPWAMPZQQ-LALPHHSUSA-N -1 3 389.460 0.834 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571293833 946119284 /nfs/dbraw/zinc/11/92/84/946119284.db2.gz SVGLNXPWAMPZQQ-LALPHHSUSA-N -1 3 389.460 0.834 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573476702 946123618 /nfs/dbraw/zinc/12/36/18/946123618.db2.gz IWZIIEHLZJNWIF-MFKMUULPSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573476702 946123625 /nfs/dbraw/zinc/12/36/25/946123625.db2.gz IWZIIEHLZJNWIF-MFKMUULPSA-N -1 3 390.423 0.401 20 0 GCADHM Cc1sc(NC(=O)CN(C)CCN2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000822558245 946126403 /nfs/dbraw/zinc/12/64/03/946126403.db2.gz NNJWHCMRBTZTBE-UHFFFAOYSA-N -1 3 379.490 0.748 20 0 GCADHM Cc1sc(NC(=O)CN(C)CCN2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000822558245 946126410 /nfs/dbraw/zinc/12/64/10/946126410.db2.gz NNJWHCMRBTZTBE-UHFFFAOYSA-N -1 3 379.490 0.748 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571294155 946127724 /nfs/dbraw/zinc/12/77/24/946127724.db2.gz ADVOVPCJDNDAIP-DTORHVGOSA-N -1 3 389.807 0.273 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571294155 946127736 /nfs/dbraw/zinc/12/77/36/946127736.db2.gz ADVOVPCJDNDAIP-DTORHVGOSA-N -1 3 389.807 0.273 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573477076 946129414 /nfs/dbraw/zinc/12/94/14/946129414.db2.gz MLUYEDXJXZXREW-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573477076 946129423 /nfs/dbraw/zinc/12/94/23/946129423.db2.gz MLUYEDXJXZXREW-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573477260 946130910 /nfs/dbraw/zinc/13/09/10/946130910.db2.gz NMPYYPXISBSKBY-CABZTGNLSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573477260 946130912 /nfs/dbraw/zinc/13/09/12/946130912.db2.gz NMPYYPXISBSKBY-CABZTGNLSA-N -1 3 392.851 0.525 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)cnc21 ZINC000822589888 946131347 /nfs/dbraw/zinc/13/13/47/946131347.db2.gz BSEOPETYDXMHAC-UHFFFAOYSA-N -1 3 379.336 0.571 20 0 GCADHM CC[C@@H](SC)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571294308 946132151 /nfs/dbraw/zinc/13/21/51/946132151.db2.gz FBSHYTPQXHUQPG-NRWUCQMLSA-N -1 3 389.485 0.771 20 0 GCADHM CC[C@@H](SC)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571294308 946132157 /nfs/dbraw/zinc/13/21/57/946132157.db2.gz FBSHYTPQXHUQPG-NRWUCQMLSA-N -1 3 389.485 0.771 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CC1(C)C ZINC001573477309 946132294 /nfs/dbraw/zinc/13/22/94/946132294.db2.gz ONPZYIMNMWHXDJ-NOZJJQNGSA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CC1(C)C ZINC001573477309 946132298 /nfs/dbraw/zinc/13/22/98/946132298.db2.gz ONPZYIMNMWHXDJ-NOZJJQNGSA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573477264 946132527 /nfs/dbraw/zinc/13/25/27/946132527.db2.gz NMSAXBAPUSEBNJ-MZKGEVEHSA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573477264 946132533 /nfs/dbraw/zinc/13/25/33/946132533.db2.gz NMSAXBAPUSEBNJ-MZKGEVEHSA-N -1 3 384.444 0.404 20 0 GCADHM Cn1c2nnc(COC(=O)c3cc(-c4nnn[n-]4)c[nH]3)n2c2ccsc2c1=O ZINC000822596139 946133087 /nfs/dbraw/zinc/13/30/87/946133087.db2.gz HLUCDJBBZMAPIZ-UHFFFAOYSA-N -1 3 397.380 0.508 20 0 GCADHM Cn1c2nnc(COC(=O)c3cc(-c4nn[n-]n4)c[nH]3)n2c2ccsc2c1=O ZINC000822596139 946133093 /nfs/dbraw/zinc/13/30/93/946133093.db2.gz HLUCDJBBZMAPIZ-UHFFFAOYSA-N -1 3 397.380 0.508 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1Cl ZINC001571294399 946133949 /nfs/dbraw/zinc/13/39/49/946133949.db2.gz DREWNATXGOTMEY-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1Cl ZINC001571294399 946133959 /nfs/dbraw/zinc/13/39/59/946133959.db2.gz DREWNATXGOTMEY-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573477354 946134132 /nfs/dbraw/zinc/13/41/32/946134132.db2.gz PCTSVQVBZDHRET-KOLCDFICSA-N -1 3 378.462 0.241 20 0 GCADHM COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571294483 946135688 /nfs/dbraw/zinc/13/56/88/946135688.db2.gz HKXRMVKCCLIMCN-CBAPKCEASA-N -1 3 389.796 0.794 20 0 GCADHM COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571294483 946135695 /nfs/dbraw/zinc/13/56/95/946135695.db2.gz HKXRMVKCCLIMCN-CBAPKCEASA-N -1 3 389.796 0.794 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573477572 946138957 /nfs/dbraw/zinc/13/89/57/946138957.db2.gz RVWVGEIEBRTZQC-JQWIXIFHSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573477572 946138965 /nfs/dbraw/zinc/13/89/65/946138965.db2.gz RVWVGEIEBRTZQC-JQWIXIFHSA-N -1 3 375.408 0.615 20 0 GCADHM Cn1cc(Cl)c(CNC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571294626 946140801 /nfs/dbraw/zinc/14/08/01/946140801.db2.gz KGTNORYWDVLSKQ-UHFFFAOYSA-N -1 3 389.851 0.880 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1Cl ZINC001571294789 946145388 /nfs/dbraw/zinc/14/53/88/946145388.db2.gz MEOQSPLSZMXNFF-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1Cl ZINC001571294789 946145397 /nfs/dbraw/zinc/14/53/97/946145397.db2.gz MEOQSPLSZMXNFF-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCN(CCn2cc(Cl)cn2)CC1 ZINC001571294839 946145909 /nfs/dbraw/zinc/14/59/09/946145909.db2.gz NJMZKJLLTFVCAS-UHFFFAOYSA-N -1 3 389.851 0.893 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCN(CCn2cc(Cl)cn2)CC1 ZINC001571294839 946145911 /nfs/dbraw/zinc/14/59/11/946145911.db2.gz NJMZKJLLTFVCAS-UHFFFAOYSA-N -1 3 389.851 0.893 20 0 GCADHM Cn1cc(Cl)c(CN2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571294904 946148131 /nfs/dbraw/zinc/14/81/31/946148131.db2.gz PSNPJDAZWWCCCQ-NSHDSACASA-N -1 3 389.851 0.976 20 0 GCADHM Cn1cc(Cl)c(CN2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571294904 946148143 /nfs/dbraw/zinc/14/81/43/946148143.db2.gz PSNPJDAZWWCCCQ-NSHDSACASA-N -1 3 389.851 0.976 20 0 GCADHM Cn1cc(Cl)c(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571294970 946150555 /nfs/dbraw/zinc/15/05/55/946150555.db2.gz RDVMESUAYRSQRN-OCAPTIKFSA-N -1 3 389.807 0.273 20 0 GCADHM Cn1cc(Cl)c(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571294970 946150567 /nfs/dbraw/zinc/15/05/67/946150567.db2.gz RDVMESUAYRSQRN-OCAPTIKFSA-N -1 3 389.807 0.273 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573478835 946152746 /nfs/dbraw/zinc/15/27/46/946152746.db2.gz YYIXQIWIRGHXTQ-JDNHERCYSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573478835 946152752 /nfs/dbraw/zinc/15/27/52/946152752.db2.gz YYIXQIWIRGHXTQ-JDNHERCYSA-N -1 3 392.851 0.525 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1Cl ZINC001571295052 946152856 /nfs/dbraw/zinc/15/28/56/946152856.db2.gz SBZYHAWXYODBMV-DTORHVGOSA-N -1 3 389.807 0.273 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1Cl ZINC001571295052 946152861 /nfs/dbraw/zinc/15/28/61/946152861.db2.gz SBZYHAWXYODBMV-DTORHVGOSA-N -1 3 389.807 0.273 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573478963 946154063 /nfs/dbraw/zinc/15/40/63/946154063.db2.gz ZOJXVPQYPUWXES-QMTHXVAHSA-N -1 3 375.408 0.221 20 0 GCADHM Cn1nc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1Cl ZINC001571295130 946154106 /nfs/dbraw/zinc/15/41/06/946154106.db2.gz UMAUBWZMYDXHFE-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM 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/nfs/dbraw/zinc/20/56/18/946205618.db2.gz HIIMVVMJWCGJOU-NSHDSACASA-N -1 3 395.427 0.362 20 0 GCADHM NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000822864648 946205633 /nfs/dbraw/zinc/20/56/33/946205633.db2.gz HIIMVVMJWCGJOU-NSHDSACASA-N -1 3 395.427 0.362 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573482903 946206898 /nfs/dbraw/zinc/20/68/98/946206898.db2.gz BUJDSVIOWYKTBK-RYUDHWBXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573482903 946206902 /nfs/dbraw/zinc/20/69/02/946206902.db2.gz BUJDSVIOWYKTBK-RYUDHWBXSA-N -1 3 386.460 0.507 20 0 GCADHM NC(=O)Nc1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)cc1 ZINC000822879429 946206992 /nfs/dbraw/zinc/20/69/92/946206992.db2.gz BJDPDBILOHMPHF-UHFFFAOYSA-N -1 3 388.413 0.617 20 0 GCADHM NC(=O)Nc1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)cc1 ZINC000822879429 946207000 /nfs/dbraw/zinc/20/70/00/946207000.db2.gz BJDPDBILOHMPHF-UHFFFAOYSA-N -1 3 388.413 0.617 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573483396 946209261 /nfs/dbraw/zinc/20/92/61/946209261.db2.gz FWNJKZSQGHNMPI-GXTWGEPZSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573483396 946209269 /nfs/dbraw/zinc/20/92/69/946209269.db2.gz FWNJKZSQGHNMPI-GXTWGEPZSA-N -1 3 386.460 0.427 20 0 GCADHM NC(=O)c1ccc(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822885645 946210604 /nfs/dbraw/zinc/21/06/04/946210604.db2.gz QYVWUYALKDFBCN-MRXNPFEDSA-N -1 3 392.423 0.646 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573483677 946212525 /nfs/dbraw/zinc/21/25/25/946212525.db2.gz GWIVCMOFKWSIBM-IINYFYTJSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573483677 946212532 /nfs/dbraw/zinc/21/25/32/946212532.db2.gz GWIVCMOFKWSIBM-IINYFYTJSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nnn[n-]1 ZINC001573484514 946216808 /nfs/dbraw/zinc/21/68/08/946216808.db2.gz MEMZQBWQUDBOTB-HKWIRBFKSA-N -1 3 390.473 0.382 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1(CNc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573484939 946219566 /nfs/dbraw/zinc/21/95/66/946219566.db2.gz NRSHXTUCLOULAW-GFCCVEGCSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1(CNc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573484939 946219577 /nfs/dbraw/zinc/21/95/77/946219577.db2.gz NRSHXTUCLOULAW-GFCCVEGCSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1(CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573484921 946220540 /nfs/dbraw/zinc/22/05/40/946220540.db2.gz NGCTXHIEVGWIGH-JTQLQIEISA-N -1 3 390.423 0.624 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1(CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573484921 946220552 /nfs/dbraw/zinc/22/05/52/946220552.db2.gz NGCTXHIEVGWIGH-JTQLQIEISA-N -1 3 390.423 0.624 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573484951 946221249 /nfs/dbraw/zinc/22/12/49/946221249.db2.gz OHVAVOOJIKGVSQ-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573484951 946221260 /nfs/dbraw/zinc/22/12/60/946221260.db2.gz OHVAVOOJIKGVSQ-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H](NC(=O)c1cc(Cl)no1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571298769 946227676 /nfs/dbraw/zinc/22/76/76/946227676.db2.gz DFTGGWGROMGDHG-ZETCQYMHSA-N -1 3 390.791 0.727 20 0 GCADHM C[C@H](NC(=O)c1cc(Cl)no1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571298769 946227688 /nfs/dbraw/zinc/22/76/88/946227688.db2.gz DFTGGWGROMGDHG-ZETCQYMHSA-N -1 3 390.791 0.727 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCCS1(=O)=O ZINC001571298718 946228727 /nfs/dbraw/zinc/22/87/27/946228727.db2.gz PTZFLXVPNURTHG-LSDHHAIUSA-N -1 3 390.469 0.134 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCCS1(=O)=O ZINC001571298718 946228738 /nfs/dbraw/zinc/22/87/38/946228738.db2.gz PTZFLXVPNURTHG-LSDHHAIUSA-N -1 3 390.469 0.134 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571298827 946229724 /nfs/dbraw/zinc/22/97/24/946229724.db2.gz DYPQNRAALMVECB-GMSGAONNSA-N -1 3 390.791 0.727 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(Cl)no2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571298827 946229742 /nfs/dbraw/zinc/22/97/42/946229742.db2.gz DYPQNRAALMVECB-GMSGAONNSA-N -1 3 390.791 0.727 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573485754 946233327 /nfs/dbraw/zinc/23/33/27/946233327.db2.gz YIMRURKTPGXQOE-CMPLNLGQSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573485754 946233334 /nfs/dbraw/zinc/23/33/34/946233334.db2.gz YIMRURKTPGXQOE-CMPLNLGQSA-N -1 3 390.423 0.258 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571298935 946233227 /nfs/dbraw/zinc/23/32/27/946233227.db2.gz RWDHDHFCXKBECF-PWSUYJOCSA-N -1 3 390.473 0.162 20 0 GCADHM Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)c1-c1nnn[n-]1 ZINC001571299074 946238697 /nfs/dbraw/zinc/23/86/97/946238697.db2.gz UFKRVOCEGDEVBF-GHMZBOCLSA-N -1 3 390.473 0.703 20 0 GCADHM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001571299303 946246626 /nfs/dbraw/zinc/24/66/26/946246626.db2.gz VYLDKZXZKCKYLX-UGFHNGPFSA-N -1 3 390.469 0.385 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)CCC(=O)N1 ZINC001571299349 946247837 /nfs/dbraw/zinc/24/78/37/946247837.db2.gz LIQIFSWAHBJLCU-HWPZZCPQSA-N -1 3 390.835 0.597 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)CCC(=O)N1 ZINC001571299349 946247847 /nfs/dbraw/zinc/24/78/47/946247847.db2.gz LIQIFSWAHBJLCU-HWPZZCPQSA-N -1 3 390.835 0.597 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)C1=COCCC1 ZINC001571299494 946252514 /nfs/dbraw/zinc/25/25/14/946252514.db2.gz WMGFTOJFWILDIV-UONOGXRCSA-N -1 3 390.469 0.674 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001573488024 946262641 /nfs/dbraw/zinc/26/26/41/946262641.db2.gz WRLSUZZZZHNMHL-CWSCBRNRSA-N -1 3 375.408 0.614 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001573488024 946262648 /nfs/dbraw/zinc/26/26/48/946262648.db2.gz WRLSUZZZZHNMHL-CWSCBRNRSA-N -1 3 375.408 0.614 20 0 GCADHM O=C(CNCC(F)(F)F)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823005584 946264655 /nfs/dbraw/zinc/26/46/55/946264655.db2.gz XVUFZCOGHJIOSB-UHFFFAOYSA-N -1 3 399.377 0.918 20 0 GCADHM O=C(CNCC(F)(F)F)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823005584 946264668 /nfs/dbraw/zinc/26/46/68/946264668.db2.gz XVUFZCOGHJIOSB-UHFFFAOYSA-N -1 3 399.377 0.918 20 0 GCADHM NC(=O)[C@H]1CC[C@H]1C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571299937 946265934 /nfs/dbraw/zinc/26/59/34/946265934.db2.gz RLCVZTITKOYGJL-WDEREUQCSA-N -1 3 390.835 0.075 20 0 GCADHM NC(=O)[C@H]1CC[C@H]1C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571299937 946265941 /nfs/dbraw/zinc/26/59/41/946265941.db2.gz RLCVZTITKOYGJL-WDEREUQCSA-N -1 3 390.835 0.075 20 0 GCADHM CC(=O)NC1(C(=O)N2C[C@@H](C)[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCC1 ZINC001573488508 946266126 /nfs/dbraw/zinc/26/61/26/946266126.db2.gz ARSFGBDZLVZIGW-IUODEOHRSA-N -1 3 398.471 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N2C[C@@H](C)[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCC1 ZINC001573488508 946266138 /nfs/dbraw/zinc/26/61/38/946266138.db2.gz ARSFGBDZLVZIGW-IUODEOHRSA-N -1 3 398.471 0.969 20 0 GCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571299934 946266262 /nfs/dbraw/zinc/26/62/62/946266262.db2.gz RLCVZTITKOYGJL-GHMZBOCLSA-N -1 3 390.835 0.075 20 0 GCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571299934 946266274 /nfs/dbraw/zinc/26/62/74/946266274.db2.gz RLCVZTITKOYGJL-GHMZBOCLSA-N -1 3 390.835 0.075 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823009759 946267087 /nfs/dbraw/zinc/26/70/87/946267087.db2.gz SHTDKQNXDKMDAZ-OAHLLOKOSA-N -1 3 386.412 0.602 20 0 GCADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)N[C@@H]1COC[C@@H]1O ZINC001571299949 946267415 /nfs/dbraw/zinc/26/74/15/946267415.db2.gz RRMJXYFZXMASTL-PWSUYJOCSA-N -1 3 390.791 0.587 20 0 GCADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)N[C@@H]1COC[C@@H]1O ZINC001571299949 946267431 /nfs/dbraw/zinc/26/74/31/946267431.db2.gz RRMJXYFZXMASTL-PWSUYJOCSA-N -1 3 390.791 0.587 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1O)c1cocn1 ZINC001571299910 946267598 /nfs/dbraw/zinc/26/75/98/946267598.db2.gz QUKBFTOJYREMJO-ZYHUDNBSSA-N -1 3 390.791 0.273 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1O)c1cocn1 ZINC001571299910 946267604 /nfs/dbraw/zinc/26/76/04/946267604.db2.gz QUKBFTOJYREMJO-ZYHUDNBSSA-N -1 3 390.791 0.273 20 0 GCADHM CC(=O)NC1(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCCC1 ZINC001573488559 946268427 /nfs/dbraw/zinc/26/84/27/946268427.db2.gz CRHCMDTWFCPUFM-UHFFFAOYSA-N -1 3 384.444 0.359 20 0 GCADHM CC(=O)NC1(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCCC1 ZINC001573488559 946268436 /nfs/dbraw/zinc/26/84/36/946268436.db2.gz CRHCMDTWFCPUFM-UHFFFAOYSA-N -1 3 384.444 0.359 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488773 946274107 /nfs/dbraw/zinc/27/41/07/946274107.db2.gz LSXIWTRHTVPUIF-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488773 946274116 /nfs/dbraw/zinc/27/41/16/946274116.db2.gz LSXIWTRHTVPUIF-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573488763 946275971 /nfs/dbraw/zinc/27/59/71/946275971.db2.gz LMJWSDWNYFKNSD-UHFFFAOYSA-N -1 3 386.460 0.571 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573488763 946275982 /nfs/dbraw/zinc/27/59/82/946275982.db2.gz LMJWSDWNYFKNSD-UHFFFAOYSA-N -1 3 386.460 0.571 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571300197 946276192 /nfs/dbraw/zinc/27/61/92/946276192.db2.gz WMVNMLGFRFLCAB-ONGXEEELSA-N -1 3 390.835 0.454 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571300197 946276202 /nfs/dbraw/zinc/27/62/02/946276202.db2.gz WMVNMLGFRFLCAB-ONGXEEELSA-N -1 3 390.835 0.454 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCC1 ZINC001573488852 946278499 /nfs/dbraw/zinc/27/84/99/946278499.db2.gz ODQBIOMFFGDWBJ-CYBMUJFWSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCC1 ZINC001573488852 946278508 /nfs/dbraw/zinc/27/85/08/946278508.db2.gz ODQBIOMFFGDWBJ-CYBMUJFWSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)NC1(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)CCCC1 ZINC001573488929 946280391 /nfs/dbraw/zinc/28/03/91/946280391.db2.gz QHVHWTGFOGTFFE-UHFFFAOYSA-N -1 3 383.456 0.616 20 0 GCADHM CC(=O)NC1(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CCCC1 ZINC001573488929 946280399 /nfs/dbraw/zinc/28/03/99/946280399.db2.gz QHVHWTGFOGTFFE-UHFFFAOYSA-N -1 3 383.456 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571301737 946280745 /nfs/dbraw/zinc/28/07/45/946280745.db2.gz BSLUGDWYSGHZDK-CZIZLABSSA-N -1 3 391.407 0.148 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571301737 946280753 /nfs/dbraw/zinc/28/07/53/946280753.db2.gz BSLUGDWYSGHZDK-CZIZLABSSA-N -1 3 391.407 0.148 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571301695 946281285 /nfs/dbraw/zinc/28/12/85/946281285.db2.gz AAPPTIGDNIKIAP-DTORHVGOSA-N -1 3 391.342 0.477 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2ccn(C(F)F)n2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571301695 946281292 /nfs/dbraw/zinc/28/12/92/946281292.db2.gz AAPPTIGDNIKIAP-DTORHVGOSA-N -1 3 391.342 0.477 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCCC1 ZINC001573489045 946284454 /nfs/dbraw/zinc/28/44/54/946284454.db2.gz VPSCYNPEQOTXCV-ZDUSSCGKSA-N -1 3 384.444 0.406 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCCC1 ZINC001573489045 946284464 /nfs/dbraw/zinc/28/44/64/946284464.db2.gz VPSCYNPEQOTXCV-ZDUSSCGKSA-N -1 3 384.444 0.406 20 0 GCADHM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573489028 946285334 /nfs/dbraw/zinc/28/53/34/946285334.db2.gz UXTMSVASGUNUKI-LBPRGKRZSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573489028 946285343 /nfs/dbraw/zinc/28/53/43/946285343.db2.gz UXTMSVASGUNUKI-LBPRGKRZSA-N -1 3 386.460 0.969 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571301908 946287685 /nfs/dbraw/zinc/28/76/85/946287685.db2.gz HNLADQLQKRXJSB-YPMHNXCESA-N -1 3 391.407 0.467 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571301908 946287696 /nfs/dbraw/zinc/28/76/96/946287696.db2.gz HNLADQLQKRXJSB-YPMHNXCESA-N -1 3 391.407 0.467 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(C(=O)C2(CF)CCOCC2)CC1 ZINC001571302366 946300828 /nfs/dbraw/zinc/30/08/28/946300828.db2.gz VYUNLJPVWNJYBQ-UHFFFAOYSA-N -1 3 391.407 0.246 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(C(=O)C2(CF)CCOCC2)CC1 ZINC001571302366 946300839 /nfs/dbraw/zinc/30/08/39/946300839.db2.gz VYUNLJPVWNJYBQ-UHFFFAOYSA-N -1 3 391.407 0.246 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 ZINC001571302402 946301918 /nfs/dbraw/zinc/30/19/18/946301918.db2.gz WPUYBNZNTPZYSJ-KYVBTAMFSA-N -1 3 391.382 0.769 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 ZINC001571302402 946301930 /nfs/dbraw/zinc/30/19/30/946301930.db2.gz WPUYBNZNTPZYSJ-KYVBTAMFSA-N -1 3 391.382 0.769 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 ZINC001571302453 946303591 /nfs/dbraw/zinc/30/35/91/946303591.db2.gz YCGZCPCOVYBRPB-OUJBWJOFSA-N -1 3 391.382 0.913 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 ZINC001571302453 946303602 /nfs/dbraw/zinc/30/36/02/946303602.db2.gz YCGZCPCOVYBRPB-OUJBWJOFSA-N -1 3 391.382 0.913 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)[C@@H]1Cc2ccccc21 ZINC001571302724 946312086 /nfs/dbraw/zinc/31/20/86/946312086.db2.gz ACUORVJUFUTESW-DOTOQJQBSA-N -1 3 391.435 0.923 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)[C@@H]1Cc2ccccc21 ZINC001571302724 946312096 /nfs/dbraw/zinc/31/20/96/946312096.db2.gz ACUORVJUFUTESW-DOTOQJQBSA-N -1 3 391.435 0.923 20 0 GCADHM CC(=O)N[C@@H]1CC2(CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)n2ccnc21 ZINC001573495814 946316090 /nfs/dbraw/zinc/31/60/90/946316090.db2.gz TYIPXOYIFWJZAC-OAHLLOKOSA-N -1 3 382.403 0.994 20 0 GCADHM CC(=O)N[C@@H]1CC2(CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)n2ccnc21 ZINC001573495814 946316102 /nfs/dbraw/zinc/31/61/02/946316102.db2.gz TYIPXOYIFWJZAC-OAHLLOKOSA-N -1 3 382.403 0.994 20 0 GCADHM CC(=O)NC1CCN(C(=O)CCCN(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573497095 946340419 /nfs/dbraw/zinc/34/04/19/946340419.db2.gz KQJVQABBJGYPEL-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)NC1CCN(C(=O)CCCN(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573497095 946340432 /nfs/dbraw/zinc/34/04/32/946340432.db2.gz KQJVQABBJGYPEL-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)c1ccoc1Cl ZINC001571305408 946361854 /nfs/dbraw/zinc/36/18/54/946361854.db2.gz ANEIDFUNUFQKNH-MNOVXSKESA-N -1 3 391.775 0.057 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)c1ccoc1Cl ZINC001571305408 946361865 /nfs/dbraw/zinc/36/18/65/946361865.db2.gz ANEIDFUNUFQKNH-MNOVXSKESA-N -1 3 391.775 0.057 20 0 GCADHM Cc1nsc(N[C@H]2CCN(C(=O)CN3CCCNC3=O)C2)c1-c1nnn[n-]1 ZINC001571305679 946372686 /nfs/dbraw/zinc/37/26/86/946372686.db2.gz AAKJCPRWHIMWEH-JTQLQIEISA-N -1 3 391.461 0.060 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571305901 946377959 /nfs/dbraw/zinc/37/79/59/946377959.db2.gz CYVGHNFSHFESTF-XWLWVQCSSA-N -1 3 391.457 0.747 20 0 GCADHM Cc1nn(C)c(C)c1[C@H](O)CNS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC001571305917 946382114 /nfs/dbraw/zinc/38/21/14/946382114.db2.gz DMMUXXXOSUNNFB-GFCCVEGCSA-N -1 3 391.457 0.537 20 0 GCADHM Cc1nn(C)c(C)c1[C@H](O)CNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC001571305917 946382126 /nfs/dbraw/zinc/38/21/26/946382126.db2.gz DMMUXXXOSUNNFB-GFCCVEGCSA-N -1 3 391.457 0.537 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573503540 946391309 /nfs/dbraw/zinc/39/13/09/946391309.db2.gz AAXJIUKESDGHFG-RISCZKNCSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573503540 946391320 /nfs/dbraw/zinc/39/13/20/946391320.db2.gz AAXJIUKESDGHFG-RISCZKNCSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573503650 946395136 /nfs/dbraw/zinc/39/51/36/946395136.db2.gz ATVXBPDKYHINCN-QMTHXVAHSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573503650 946395148 /nfs/dbraw/zinc/39/51/48/946395148.db2.gz ATVXBPDKYHINCN-QMTHXVAHSA-N -1 3 390.423 0.576 20 0 GCADHM Cc1nsc(N2CCC[C@H](NC(=O)C3=COCCO3)CC2)c1-c1nnn[n-]1 ZINC001571306478 946401983 /nfs/dbraw/zinc/40/19/83/946401983.db2.gz LNGIPCLQYUYSAB-NSHDSACASA-N -1 3 391.457 0.995 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573504082 946406351 /nfs/dbraw/zinc/40/63/51/946406351.db2.gz FUTKHTTYDCTMNX-PWSUYJOCSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573504082 946406356 /nfs/dbraw/zinc/40/63/56/946406356.db2.gz FUTKHTTYDCTMNX-PWSUYJOCSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1snc(C)c1-c1nnn[n-]1 ZINC001573504187 946408611 /nfs/dbraw/zinc/40/86/11/946408611.db2.gz FUMUSSOTFXAFLE-NEPJUHHUSA-N -1 3 390.473 0.337 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@]2(C1)CCCN(c1ncccc1-c1nnn[n-]1)C2 ZINC001573504282 946410229 /nfs/dbraw/zinc/41/02/29/946410229.db2.gz GMFGSCLGNYGYBF-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@]2(C1)CCCN(c1ncccc1-c1nn[n-]n1)C2 ZINC001573504282 946410236 /nfs/dbraw/zinc/41/02/36/946410236.db2.gz GMFGSCLGNYGYBF-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)ccc1-c1nnn[n-]1 ZINC001571306738 946410221 /nfs/dbraw/zinc/41/02/21/946410221.db2.gz OCIMSDMAKYGMQT-NTZNESFSSA-N -1 3 391.457 0.206 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)ccc1-c1nn[n-]n1 ZINC001571306738 946410228 /nfs/dbraw/zinc/41/02/28/946410228.db2.gz OCIMSDMAKYGMQT-NTZNESFSSA-N -1 3 391.457 0.206 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@@H]2C1 ZINC001573504662 946412132 /nfs/dbraw/zinc/41/21/32/946412132.db2.gz IFTVNBSIWRDYHB-ZNMIVQPWSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@@H]2C1 ZINC001573504662 946412140 /nfs/dbraw/zinc/41/21/40/946412140.db2.gz IFTVNBSIWRDYHB-ZNMIVQPWSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573504754 946414273 /nfs/dbraw/zinc/41/42/73/946414273.db2.gz JFCJQVRKFFVQOO-SMDDNHRTSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573504754 946414281 /nfs/dbraw/zinc/41/42/81/946414281.db2.gz JFCJQVRKFFVQOO-SMDDNHRTSA-N -1 3 386.460 0.603 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571307140 946418776 /nfs/dbraw/zinc/41/87/76/946418776.db2.gz XXZZYNMHWXHEJE-YPMHNXCESA-N -1 3 391.457 0.099 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571307140 946418781 /nfs/dbraw/zinc/41/87/81/946418781.db2.gz XXZZYNMHWXHEJE-YPMHNXCESA-N -1 3 391.457 0.099 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573505392 946418841 /nfs/dbraw/zinc/41/88/41/946418841.db2.gz NBPDNQXHXNTBTJ-OKILXGFUSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573505392 946418850 /nfs/dbraw/zinc/41/88/50/946418850.db2.gz NBPDNQXHXNTBTJ-OKILXGFUSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573505432 946421510 /nfs/dbraw/zinc/42/15/10/946421510.db2.gz NONWJMFQNMILPB-NSHDSACASA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573505432 946421517 /nfs/dbraw/zinc/42/15/17/946421517.db2.gz NONWJMFQNMILPB-NSHDSACASA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@]2(CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573506772 946436987 /nfs/dbraw/zinc/43/69/87/946436987.db2.gz TWDXCDCZNCCKNH-SFHVURJKSA-N -1 3 384.444 0.135 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@]2(CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573506772 946436994 /nfs/dbraw/zinc/43/69/94/946436994.db2.gz TWDXCDCZNCCKNH-SFHVURJKSA-N -1 3 384.444 0.135 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CCNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573506776 946438620 /nfs/dbraw/zinc/43/86/20/946438620.db2.gz TWATXEVYHFPDDI-LLVKDONJSA-N -1 3 392.851 0.702 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CCNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573506776 946438622 /nfs/dbraw/zinc/43/86/22/946438622.db2.gz TWATXEVYHFPDDI-LLVKDONJSA-N -1 3 392.851 0.702 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CCNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573506777 946439698 /nfs/dbraw/zinc/43/96/98/946439698.db2.gz TWATXEVYHFPDDI-NSHDSACASA-N -1 3 392.851 0.702 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CCNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573506777 946439706 /nfs/dbraw/zinc/43/97/06/946439706.db2.gz TWATXEVYHFPDDI-NSHDSACASA-N -1 3 392.851 0.702 20 0 GCADHM O=C1C[C@H](O)CN1CN1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000823518926 946443019 /nfs/dbraw/zinc/44/30/19/946443019.db2.gz BTFKVHUYSJVXBS-ZDUSSCGKSA-N -1 3 394.439 0.088 20 0 GCADHM O=C1C[C@H](O)CN1CN1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000823518926 946443024 /nfs/dbraw/zinc/44/30/24/946443024.db2.gz BTFKVHUYSJVXBS-ZDUSSCGKSA-N -1 3 394.439 0.088 20 0 GCADHM O=S(=O)(CCN1CCC[C@@H](OCCO)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562596 946447240 /nfs/dbraw/zinc/44/72/40/946447240.db2.gz UCEWYGZEFPHPJA-CQSZACIVSA-N -1 3 381.458 0.114 20 0 GCADHM O=S(=O)(CCN1CCC[C@@H](OCCO)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562596 946447249 /nfs/dbraw/zinc/44/72/49/946447249.db2.gz UCEWYGZEFPHPJA-CQSZACIVSA-N -1 3 381.458 0.114 20 0 GCADHM NC(=O)c1ccc(CC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC001571309706 946451341 /nfs/dbraw/zinc/45/13/41/946451341.db2.gz IFKJNPSSKBICGO-UHFFFAOYSA-N -1 3 392.423 0.252 20 0 GCADHM NC(=O)c1ccc(CC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC001571309706 946451348 /nfs/dbraw/zinc/45/13/48/946451348.db2.gz IFKJNPSSKBICGO-UHFFFAOYSA-N -1 3 392.423 0.252 20 0 GCADHM Cc1cnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1C ZINC001571309709 946451952 /nfs/dbraw/zinc/45/19/52/946451952.db2.gz IIHPBBMWMQNVGQ-VIKVFOODSA-N -1 3 392.423 0.707 20 0 GCADHM Cc1cnc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1C ZINC001571309709 946451955 /nfs/dbraw/zinc/45/19/55/946451955.db2.gz IIHPBBMWMQNVGQ-VIKVFOODSA-N -1 3 392.423 0.707 20 0 GCADHM O=S(=O)(c1ccccc1F)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823605734 946452714 /nfs/dbraw/zinc/45/27/14/946452714.db2.gz ALMIQXDDSSGDNK-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1ccccc1F)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823605734 946452721 /nfs/dbraw/zinc/45/27/21/946452721.db2.gz ALMIQXDDSSGDNK-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573508160 946453537 /nfs/dbraw/zinc/45/35/37/946453537.db2.gz YMXNMIJDGFWVPV-LBPRGKRZSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573508160 946453545 /nfs/dbraw/zinc/45/35/45/946453545.db2.gz YMXNMIJDGFWVPV-LBPRGKRZSA-N -1 3 390.423 0.212 20 0 GCADHM C[C@]12CN(C(=O)c3cc[nH]c(=O)c3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571310008 946459730 /nfs/dbraw/zinc/45/97/30/946459730.db2.gz RSJZMZAPVFNNFS-KUHUBIRLSA-N -1 3 392.423 0.961 20 0 GCADHM C[C@]12CN(C(=O)c3cc[nH]c(=O)c3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571310008 946459735 /nfs/dbraw/zinc/45/97/35/946459735.db2.gz RSJZMZAPVFNNFS-KUHUBIRLSA-N -1 3 392.423 0.961 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573509231 946459920 /nfs/dbraw/zinc/45/99/20/946459920.db2.gz IMBLKTSPNZFTFP-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573509231 946459924 /nfs/dbraw/zinc/45/99/24/946459924.db2.gz IMBLKTSPNZFTFP-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)[C@H]2Cc3cccnc3C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571310065 946462382 /nfs/dbraw/zinc/46/23/82/946462382.db2.gz UFIKZNIRQKZBPM-QWHCGFSZSA-N -1 3 392.423 0.336 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)[C@H]2Cc3cccnc3C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571310065 946462390 /nfs/dbraw/zinc/46/23/90/946462390.db2.gz UFIKZNIRQKZBPM-QWHCGFSZSA-N -1 3 392.423 0.336 20 0 GCADHM O=C(N[C@@H]1COC2(CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1)c1cccnn1 ZINC001571310193 946463394 /nfs/dbraw/zinc/46/33/94/946463394.db2.gz XWYISRHADQIFRA-HNNXBMFYSA-N -1 3 392.423 0.430 20 0 GCADHM O=C(N[C@@H]1COC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1)c1cccnn1 ZINC001571310193 946463401 /nfs/dbraw/zinc/46/34/01/946463401.db2.gz XWYISRHADQIFRA-HNNXBMFYSA-N -1 3 392.423 0.430 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573509574 946464200 /nfs/dbraw/zinc/46/42/00/946464200.db2.gz OFLBNFAEPITZRB-CABZTGNLSA-N -1 3 392.489 0.949 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573509477 946464552 /nfs/dbraw/zinc/46/45/52/946464552.db2.gz MXRLDOSXETXNCV-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573509477 946464559 /nfs/dbraw/zinc/46/45/59/946464559.db2.gz MXRLDOSXETXNCV-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573509523 946464750 /nfs/dbraw/zinc/46/47/50/946464750.db2.gz NLMPVJLVRYGWRM-GFCCVEGCSA-N -1 3 392.851 0.844 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573509523 946464758 /nfs/dbraw/zinc/46/47/58/946464758.db2.gz NLMPVJLVRYGWRM-GFCCVEGCSA-N -1 3 392.851 0.844 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C)[nH]c2=O)n1 ZINC001571310221 946466108 /nfs/dbraw/zinc/46/61/08/946466108.db2.gz YVCARWZXYVIZMH-FICVDOATSA-N -1 3 392.423 0.844 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(C)[nH]c2=O)n1 ZINC001571310221 946466119 /nfs/dbraw/zinc/46/61/19/946466119.db2.gz YVCARWZXYVIZMH-FICVDOATSA-N -1 3 392.423 0.844 20 0 GCADHM CC(=O)NCC(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573509790 946466885 /nfs/dbraw/zinc/46/68/85/946466885.db2.gz RRVJDMDSRVNDHD-UHFFFAOYSA-N -1 3 375.408 0.176 20 0 GCADHM CC(=O)NCC(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573509790 946466892 /nfs/dbraw/zinc/46/68/92/946466892.db2.gz RRVJDMDSRVNDHD-UHFFFAOYSA-N -1 3 375.408 0.176 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573510049 946468533 /nfs/dbraw/zinc/46/85/33/946468533.db2.gz WXBMCSHFHXKHGM-IUODEOHRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573510049 946468540 /nfs/dbraw/zinc/46/85/40/946468540.db2.gz WXBMCSHFHXKHGM-IUODEOHRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573510194 946473387 /nfs/dbraw/zinc/47/33/87/946473387.db2.gz BFWMLLIZSWKUNE-ZYHUDNBSSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573510194 946473393 /nfs/dbraw/zinc/47/33/93/946473393.db2.gz BFWMLLIZSWKUNE-ZYHUDNBSSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1nc(C)ccc1-c1nnn[n-]1)C1CCCC1 ZINC001573510304 946476669 /nfs/dbraw/zinc/47/66/69/946476669.db2.gz DTXKCTBBCJAUCU-OAHLLOKOSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1nc(C)ccc1-c1nn[n-]n1)C1CCCC1 ZINC001573510304 946476671 /nfs/dbraw/zinc/47/66/71/946476671.db2.gz DTXKCTBBCJAUCU-OAHLLOKOSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573511039 946480899 /nfs/dbraw/zinc/48/08/99/946480899.db2.gz MBXMRFBSPPEDDE-LBPRGKRZSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573511039 946480907 /nfs/dbraw/zinc/48/09/07/946480907.db2.gz MBXMRFBSPPEDDE-LBPRGKRZSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573511387 946484768 /nfs/dbraw/zinc/48/47/68/946484768.db2.gz PEHWPSAVJOXXAL-BXKDBHETSA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573511630 946488492 /nfs/dbraw/zinc/48/84/92/946488492.db2.gz BZIZHDNIJDRUMD-CMPLNLGQSA-N -1 3 376.396 0.234 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573511630 946488500 /nfs/dbraw/zinc/48/85/00/946488500.db2.gz BZIZHDNIJDRUMD-CMPLNLGQSA-N -1 3 376.396 0.234 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001571312433 946491702 /nfs/dbraw/zinc/49/17/02/946491702.db2.gz CTWUBBRTGROPIC-RYUDHWBXSA-N -1 3 392.427 0.787 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001571312433 946491710 /nfs/dbraw/zinc/49/17/10/946491710.db2.gz CTWUBBRTGROPIC-RYUDHWBXSA-N -1 3 392.427 0.787 20 0 GCADHM O=C(c1cccc(CNc2ncccc2-c2nnn[n-]2)c1)N1CCNC(=O)CC1 ZINC001571312611 946495637 /nfs/dbraw/zinc/49/56/37/946495637.db2.gz IUVDFKNTUYTNAY-UHFFFAOYSA-N -1 3 392.423 0.836 20 0 GCADHM O=C(c1cccc(CNc2ncccc2-c2nn[n-]n2)c1)N1CCNC(=O)CC1 ZINC001571312611 946495646 /nfs/dbraw/zinc/49/56/46/946495646.db2.gz IUVDFKNTUYTNAY-UHFFFAOYSA-N -1 3 392.423 0.836 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)[C@@H]1C[C@H]1c1cccnc1 ZINC001571312575 946496299 /nfs/dbraw/zinc/49/62/99/946496299.db2.gz HWOJTTTZSZQGTN-ZJIFWQFVSA-N -1 3 392.423 0.126 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)[C@@H]1C[C@H]1c1cccnc1 ZINC001571312575 946496309 /nfs/dbraw/zinc/49/63/09/946496309.db2.gz HWOJTTTZSZQGTN-ZJIFWQFVSA-N -1 3 392.423 0.126 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cccc(F)c1-c1nnn[n-]1)C2 ZINC001573512880 946506522 /nfs/dbraw/zinc/50/65/22/946506522.db2.gz JDNDBFFALOAJMA-XQQFMLRXSA-N -1 3 387.419 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1cccc(F)c1-c1nn[n-]n1)C2 ZINC001573512880 946506530 /nfs/dbraw/zinc/50/65/30/946506530.db2.gz JDNDBFFALOAJMA-XQQFMLRXSA-N -1 3 387.419 0.615 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2nc(C)ccc2-c2nnn[n-]2)CCCCC1 ZINC001573513013 946508319 /nfs/dbraw/zinc/50/83/19/946508319.db2.gz KAQHYHRMHMTGAK-UHFFFAOYSA-N -1 3 386.460 0.937 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2nc(C)ccc2-c2nn[n-]n2)CCCCC1 ZINC001573513013 946508324 /nfs/dbraw/zinc/50/83/24/946508324.db2.gz KAQHYHRMHMTGAK-UHFFFAOYSA-N -1 3 386.460 0.937 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC001573513225 946511547 /nfs/dbraw/zinc/51/15/47/946511547.db2.gz LSISYPBOTPMDQJ-UHFFFAOYSA-N -1 3 392.851 0.892 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC001573513225 946511558 /nfs/dbraw/zinc/51/15/58/946511558.db2.gz LSISYPBOTPMDQJ-UHFFFAOYSA-N -1 3 392.851 0.892 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1C ZINC001573513714 946515779 /nfs/dbraw/zinc/51/57/79/946515779.db2.gz PNLZVYBTRIWITD-ZBEGNZNMSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C1 ZINC001573514354 946526071 /nfs/dbraw/zinc/52/60/71/946526071.db2.gz XRJQPBDQTQLUBA-MELADBBJSA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2C1 ZINC001573514354 946526074 /nfs/dbraw/zinc/52/60/74/946526074.db2.gz XRJQPBDQTQLUBA-MELADBBJSA-N -1 3 384.444 0.119 20 0 GCADHM Cc1nc(N2C[C@@H]3CCN(C(=O)c4nccnc4N)[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001571313844 946534686 /nfs/dbraw/zinc/53/46/86/946534686.db2.gz WJLHNQPEKUNKMZ-WCQYABFASA-N -1 3 392.427 0.293 20 0 GCADHM Cc1nc(N2C[C@@H]3CCN(C(=O)c4nccnc4N)[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001571313844 946534690 /nfs/dbraw/zinc/53/46/90/946534690.db2.gz WJLHNQPEKUNKMZ-WCQYABFASA-N -1 3 392.427 0.293 20 0 GCADHM O=C(c1cc[nH]n1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571313866 946534709 /nfs/dbraw/zinc/53/47/09/946534709.db2.gz WSALSUXEUXHQCC-OXIQGZBJSA-N -1 3 392.427 0.367 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823994667 946534721 /nfs/dbraw/zinc/53/47/21/946534721.db2.gz MDXRYHIAXPZHSW-HNNXBMFYSA-N -1 3 397.443 0.996 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823994667 946534728 /nfs/dbraw/zinc/53/47/28/946534728.db2.gz MDXRYHIAXPZHSW-HNNXBMFYSA-N -1 3 397.443 0.996 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H](C)C1 ZINC001573515181 946540186 /nfs/dbraw/zinc/54/01/86/946540186.db2.gz IPWFFIYZQAXTHV-JOYOIKCWSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H](C)C1 ZINC001573515181 946540189 /nfs/dbraw/zinc/54/01/89/946540189.db2.gz IPWFFIYZQAXTHV-JOYOIKCWSA-N -1 3 392.851 0.525 20 0 GCADHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1C[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571313994 946540498 /nfs/dbraw/zinc/54/04/98/946540498.db2.gz YYTBBYYYENQVGX-YVECIDJPSA-N -1 3 392.427 0.078 20 0 GCADHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571313994 946540505 /nfs/dbraw/zinc/54/05/05/946540505.db2.gz YYTBBYYYENQVGX-YVECIDJPSA-N -1 3 392.427 0.078 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC001573515615 946546252 /nfs/dbraw/zinc/54/62/52/946546252.db2.gz NNYRCROBRPYFCM-GXFFZTMASA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC001573515615 946546256 /nfs/dbraw/zinc/54/62/56/946546256.db2.gz NNYRCROBRPYFCM-GXFFZTMASA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000824014292 946546886 /nfs/dbraw/zinc/54/68/86/946546886.db2.gz HRAQVKGPGSBWSN-CQSZACIVSA-N -1 3 390.469 0.378 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000824014292 946546898 /nfs/dbraw/zinc/54/68/98/946546898.db2.gz HRAQVKGPGSBWSN-CQSZACIVSA-N -1 3 390.469 0.378 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1(C)C ZINC001573515638 946548906 /nfs/dbraw/zinc/54/89/06/946548906.db2.gz OEAYWFVAUGCTQA-HNNXBMFYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573517185 946567320 /nfs/dbraw/zinc/56/73/20/946567320.db2.gz DPQTXTADLGPFEH-SFHVURJKSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573517185 946567335 /nfs/dbraw/zinc/56/73/35/946567335.db2.gz DPQTXTADLGPFEH-SFHVURJKSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573517450 946573604 /nfs/dbraw/zinc/57/36/04/946573604.db2.gz KIEFXRCNZGWXQI-SFHVURJKSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573517450 946573610 /nfs/dbraw/zinc/57/36/10/946573610.db2.gz KIEFXRCNZGWXQI-SFHVURJKSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573517479 946573685 /nfs/dbraw/zinc/57/36/85/946573685.db2.gz LDCPNONXPSSACJ-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573517479 946573691 /nfs/dbraw/zinc/57/36/91/946573691.db2.gz LDCPNONXPSSACJ-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCC(C)(C)CN1c1ncccc1-c1nnn[n-]1 ZINC001573517473 946574365 /nfs/dbraw/zinc/57/43/65/946574365.db2.gz LAIIASCVPFMSDC-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCC(C)(C)CN1c1ncccc1-c1nn[n-]n1 ZINC001573517473 946574370 /nfs/dbraw/zinc/57/43/70/946574370.db2.gz LAIIASCVPFMSDC-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001573517862 946583958 /nfs/dbraw/zinc/58/39/58/946583958.db2.gz TVAYQJIWTFBBCW-INIZCTEOSA-N -1 3 380.412 0.667 20 0 GCADHM CC(=O)NCC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001573517862 946583970 /nfs/dbraw/zinc/58/39/70/946583970.db2.gz TVAYQJIWTFBBCW-INIZCTEOSA-N -1 3 380.412 0.667 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573517884 946585590 /nfs/dbraw/zinc/58/55/90/946585590.db2.gz UBFZZAHNRAAJKH-UHFFFAOYSA-N -1 3 378.462 0.609 20 0 GCADHM CC(=O)NCC(=O)NCCN(c1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573520864 946600641 /nfs/dbraw/zinc/60/06/41/946600641.db2.gz OETHBEILODLCJU-UHFFFAOYSA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)NCCN(c1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573520864 946600646 /nfs/dbraw/zinc/60/06/46/946600646.db2.gz OETHBEILODLCJU-UHFFFAOYSA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573520964 946603274 /nfs/dbraw/zinc/60/32/74/946603274.db2.gz QJJFJMSFQBAGPH-HOMQSWHASA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573520964 946603285 /nfs/dbraw/zinc/60/32/85/946603285.db2.gz QJJFJMSFQBAGPH-HOMQSWHASA-N -1 3 378.824 0.358 20 0 GCADHM CNC(=O)N[C@H]1CCN([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001571317276 946603339 /nfs/dbraw/zinc/60/33/39/946603339.db2.gz AKCCNBBUUGYZTG-KOLCDFICSA-N -1 3 392.851 0.850 20 0 GCADHM CNC(=O)N[C@H]1CCN([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001571317276 946603350 /nfs/dbraw/zinc/60/33/50/946603350.db2.gz AKCCNBBUUGYZTG-KOLCDFICSA-N -1 3 392.851 0.850 20 0 GCADHM CC(=O)NCC(=O)NCCC1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573521176 946604161 /nfs/dbraw/zinc/60/41/61/946604161.db2.gz SYQJYZHGKBWSDY-UHFFFAOYSA-N -1 3 392.851 0.750 20 0 GCADHM CC(=O)NCC(=O)NCCC1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573521176 946604166 /nfs/dbraw/zinc/60/41/66/946604166.db2.gz SYQJYZHGKBWSDY-UHFFFAOYSA-N -1 3 392.851 0.750 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)[C@H]1CCCOCC1 ZINC001571317299 946605715 /nfs/dbraw/zinc/60/57/15/946605715.db2.gz BPDGMWAXXZSBOS-IACUBPJLSA-N -1 3 392.485 0.406 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)[C@H]1CCCOCC1 ZINC001571317299 946605720 /nfs/dbraw/zinc/60/57/20/946605720.db2.gz BPDGMWAXXZSBOS-IACUBPJLSA-N -1 3 392.485 0.406 20 0 GCADHM CC(=O)NCC(=O)NCCC1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573521587 946608026 /nfs/dbraw/zinc/60/80/26/946608026.db2.gz ZXTRWSNZSQKQHT-UHFFFAOYSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NCCC1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573521587 946608033 /nfs/dbraw/zinc/60/80/33/946608033.db2.gz ZXTRWSNZSQKQHT-UHFFFAOYSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001573521585 946608707 /nfs/dbraw/zinc/60/87/07/946608707.db2.gz ZWTJVJODEVOXIB-BTTYYORXSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001573521585 946608715 /nfs/dbraw/zinc/60/87/15/946608715.db2.gz ZWTJVJODEVOXIB-BTTYYORXSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573521839 946613799 /nfs/dbraw/zinc/61/37/99/946613799.db2.gz JVLDZKAQURWAQW-CHWSQXEVSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573521839 946613810 /nfs/dbraw/zinc/61/38/10/946613810.db2.gz JVLDZKAQURWAQW-CHWSQXEVSA-N -1 3 392.851 0.891 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2nc(Cl)cs2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571317600 946615471 /nfs/dbraw/zinc/61/54/71/946615471.db2.gz OCGGAWHNGMTODF-OCAPTIKFSA-N -1 3 392.832 0.996 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2nc(Cl)cs2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571317600 946615482 /nfs/dbraw/zinc/61/54/82/946615482.db2.gz OCGGAWHNGMTODF-OCAPTIKFSA-N -1 3 392.832 0.996 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001571317613 946616739 /nfs/dbraw/zinc/61/67/39/946616739.db2.gz OHFFZIUGBHPZCL-SYQHCUMBSA-N -1 3 392.485 0.405 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O ZINC001571317613 946616745 /nfs/dbraw/zinc/61/67/45/946616745.db2.gz OHFFZIUGBHPZCL-SYQHCUMBSA-N -1 3 392.485 0.405 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573522091 946619986 /nfs/dbraw/zinc/61/99/86/946619986.db2.gz AGPLOIWBMVYBGX-AWEZNQCLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573522091 946619990 /nfs/dbraw/zinc/61/99/90/946619990.db2.gz AGPLOIWBMVYBGX-AWEZNQCLSA-N -1 3 386.460 0.461 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@@H]1CCCCO1 ZINC001571317790 946620502 /nfs/dbraw/zinc/62/05/02/946620502.db2.gz VXOLUBSUJIXUHM-JSGCOSHPSA-N -1 3 392.485 0.814 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ncc(Cl)s1 ZINC001571317776 946621606 /nfs/dbraw/zinc/62/16/06/946621606.db2.gz VPCBZZUJRYPFOZ-ZETCQYMHSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ncc(Cl)s1 ZINC001571317776 946621609 /nfs/dbraw/zinc/62/16/09/946621609.db2.gz VPCBZZUJRYPFOZ-ZETCQYMHSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)c1csnn1 ZINC001571317785 946622287 /nfs/dbraw/zinc/62/22/87/946622287.db2.gz VSQKVSYMBABBJH-ONGXEEELSA-N -1 3 392.470 0.145 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573522117 946622754 /nfs/dbraw/zinc/62/27/54/946622754.db2.gz AXCWUZQYJIJHAF-CYBMUJFWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573522117 946622758 /nfs/dbraw/zinc/62/27/58/946622758.db2.gz AXCWUZQYJIJHAF-CYBMUJFWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573522099 946623363 /nfs/dbraw/zinc/62/33/63/946623363.db2.gz APKJFJWYLRUUHL-UHFFFAOYSA-N -1 3 391.501 0.735 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573522245 946624619 /nfs/dbraw/zinc/62/46/19/946624619.db2.gz CTUVDSZLSYVSNL-UHFFFAOYSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573522245 946624623 /nfs/dbraw/zinc/62/46/23/946624623.db2.gz CTUVDSZLSYVSNL-UHFFFAOYSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573522357 946624647 /nfs/dbraw/zinc/62/46/47/946624647.db2.gz DIDLJIDVQIVONI-NSHDSACASA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573522357 946624651 /nfs/dbraw/zinc/62/46/51/946624651.db2.gz DIDLJIDVQIVONI-NSHDSACASA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573522859 946629537 /nfs/dbraw/zinc/62/95/37/946629537.db2.gz LJVLFISIDFSILL-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573522859 946629538 /nfs/dbraw/zinc/62/95/38/946629538.db2.gz LJVLFISIDFSILL-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573522782 946630140 /nfs/dbraw/zinc/63/01/40/946630140.db2.gz KORSOLNMNHTIKY-SNVBAGLBSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573522782 946630148 /nfs/dbraw/zinc/63/01/48/946630148.db2.gz KORSOLNMNHTIKY-SNVBAGLBSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573523089 946632148 /nfs/dbraw/zinc/63/21/48/946632148.db2.gz NXAVWXIAQTZQBB-VHSXEESVSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573523089 946632153 /nfs/dbraw/zinc/63/21/53/946632153.db2.gz NXAVWXIAQTZQBB-VHSXEESVSA-N -1 3 392.439 0.868 20 0 GCADHM Brc1cncc(-c2nnn(Cc3ncc(-c4nnn[n-]4)cn3)n2)c1 ZINC001573279378 946639245 /nfs/dbraw/zinc/63/92/45/946639245.db2.gz GQCIVUXJCWUCQH-UHFFFAOYSA-N -1 3 386.177 0.516 20 0 GCADHM Brc1cncc(-c2nnn(Cc3ncc(-c4nn[n-]n4)cn3)n2)c1 ZINC001573279378 946639250 /nfs/dbraw/zinc/63/92/50/946639250.db2.gz GQCIVUXJCWUCQH-UHFFFAOYSA-N -1 3 386.177 0.516 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573527747 946645899 /nfs/dbraw/zinc/64/58/99/946645899.db2.gz GQXOAERZOYHBOI-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573527747 946645905 /nfs/dbraw/zinc/64/59/05/946645905.db2.gz GQXOAERZOYHBOI-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573527888 946651269 /nfs/dbraw/zinc/65/12/69/946651269.db2.gz KZRWHQCNHAJXNO-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573527888 946651274 /nfs/dbraw/zinc/65/12/74/946651274.db2.gz KZRWHQCNHAJXNO-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573528188 946658868 /nfs/dbraw/zinc/65/88/68/946658868.db2.gz XYAKPXFLHXVCCG-JOCQHMNTSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573528188 946658874 /nfs/dbraw/zinc/65/88/74/946658874.db2.gz XYAKPXFLHXVCCG-JOCQHMNTSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1C(F)(F)F ZINC001573529546 946675794 /nfs/dbraw/zinc/67/57/94/946675794.db2.gz NQUPQFIPNKOCCJ-WDEREUQCSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C(F)(F)F ZINC001573529546 946675801 /nfs/dbraw/zinc/67/58/01/946675801.db2.gz NQUPQFIPNKOCCJ-WDEREUQCSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NCc1ccc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)cc1 ZINC001573532952 946706099 /nfs/dbraw/zinc/70/60/99/946706099.db2.gz BGUUXFNSPPVBML-UHFFFAOYSA-N -1 3 382.384 0.482 20 0 GCADHM CC(=O)NCc1ccc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)cc1 ZINC001573532952 946706101 /nfs/dbraw/zinc/70/61/01/946706101.db2.gz BGUUXFNSPPVBML-UHFFFAOYSA-N -1 3 382.384 0.482 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001573535287 946720745 /nfs/dbraw/zinc/72/07/45/946720745.db2.gz AZHHQEQPZOMDPI-MRXNPFEDSA-N -1 3 391.451 0.715 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573535303 946723231 /nfs/dbraw/zinc/72/32/31/946723231.db2.gz BDZYNGYBMNFPJK-XJKSGUPXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573535303 946723235 /nfs/dbraw/zinc/72/32/35/946723235.db2.gz BDZYNGYBMNFPJK-XJKSGUPXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573536102 946729493 /nfs/dbraw/zinc/72/94/93/946729493.db2.gz PBFUGUNVBZARFJ-XNRPHZJLSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573536102 946729498 /nfs/dbraw/zinc/72/94/98/946729498.db2.gz PBFUGUNVBZARFJ-XNRPHZJLSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1ncccc1-c1nnn[n-]1)C(C)C ZINC001573536028 946730959 /nfs/dbraw/zinc/73/09/59/946730959.db2.gz OFKCOVCRIWOQRZ-UKRRQHHQSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN1c1ncccc1-c1nn[n-]n1)C(C)C ZINC001573536028 946730968 /nfs/dbraw/zinc/73/09/68/946730968.db2.gz OFKCOVCRIWOQRZ-UKRRQHHQSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CC1)C(C)C ZINC001573536176 946733359 /nfs/dbraw/zinc/73/33/59/946733359.db2.gz RCJOZDWWXDBJLN-GFCCVEGCSA-N -1 3 392.489 0.853 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1)C(C)C ZINC001573536420 946735757 /nfs/dbraw/zinc/73/57/57/946735757.db2.gz WSSFQUFFSICHBG-GOEBONIOSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1)C(C)C ZINC001573536420 946735763 /nfs/dbraw/zinc/73/57/63/946735763.db2.gz WSSFQUFFSICHBG-GOEBONIOSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)C(C)C ZINC001573536589 946737551 /nfs/dbraw/zinc/73/75/51/946737551.db2.gz YHEGCOZUKPCPQP-BLLLJJGKSA-N -1 3 389.435 0.861 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)C(C)C ZINC001573536589 946737557 /nfs/dbraw/zinc/73/75/57/946737557.db2.gz YHEGCOZUKPCPQP-BLLLJJGKSA-N -1 3 389.435 0.861 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1)C(C)C ZINC001573536568 946738479 /nfs/dbraw/zinc/73/84/79/946738479.db2.gz XTDOPUJUPYCMKE-JKSUJKDBSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1)C(C)C ZINC001573536568 946738488 /nfs/dbraw/zinc/73/84/88/946738488.db2.gz XTDOPUJUPYCMKE-JKSUJKDBSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)C(C)C ZINC001573536596 946738502 /nfs/dbraw/zinc/73/85/02/946738502.db2.gz YLVAENQQPUPXEX-MRXNPFEDSA-N -1 3 389.435 0.467 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)C(C)C ZINC001573536596 946738511 /nfs/dbraw/zinc/73/85/11/946738511.db2.gz YLVAENQQPUPXEX-MRXNPFEDSA-N -1 3 389.435 0.467 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573537419 946747343 /nfs/dbraw/zinc/74/73/43/946747343.db2.gz AHQKLATZOFXYNA-HZMBPMFUSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573537419 946747351 /nfs/dbraw/zinc/74/73/51/946747351.db2.gz AHQKLATZOFXYNA-HZMBPMFUSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573537400 946748013 /nfs/dbraw/zinc/74/80/13/946748013.db2.gz NFPSFQWTTJTVFL-IUODEOHRSA-N -1 3 388.476 0.990 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573537400 946748023 /nfs/dbraw/zinc/74/80/23/946748023.db2.gz NFPSFQWTTJTVFL-IUODEOHRSA-N -1 3 388.476 0.990 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573537487 946749099 /nfs/dbraw/zinc/74/90/99/946749099.db2.gz CZMCQQKVLZQVJG-HOCLYGCPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573537487 946749105 /nfs/dbraw/zinc/74/91/05/946749105.db2.gz CZMCQQKVLZQVJG-HOCLYGCPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573537509 946750920 /nfs/dbraw/zinc/75/09/20/946750920.db2.gz FFPCHZYENOIPEL-DOMZBBRYSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573537509 946750931 /nfs/dbraw/zinc/75/09/31/946750931.db2.gz FFPCHZYENOIPEL-DOMZBBRYSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573537968 946760321 /nfs/dbraw/zinc/76/03/21/946760321.db2.gz SDVWDRWSZBMFPF-XJKSGUPXSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573537968 946760334 /nfs/dbraw/zinc/76/03/34/946760334.db2.gz SDVWDRWSZBMFPF-XJKSGUPXSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573538013 946763183 /nfs/dbraw/zinc/76/31/83/946763183.db2.gz SPMRDVISKIILFS-MRXNPFEDSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573538013 946763188 /nfs/dbraw/zinc/76/31/88/946763188.db2.gz SPMRDVISKIILFS-MRXNPFEDSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573538530 946771517 /nfs/dbraw/zinc/77/15/17/946771517.db2.gz XEYZNEHHEDTJDT-OFQRWUPVSA-N -1 3 384.444 0.212 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573538530 946771526 /nfs/dbraw/zinc/77/15/26/946771526.db2.gz XEYZNEHHEDTJDT-OFQRWUPVSA-N -1 3 384.444 0.212 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573538586 946772007 /nfs/dbraw/zinc/77/20/07/946772007.db2.gz XSCRJPBEMMOLES-MRXNPFEDSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573538586 946772013 /nfs/dbraw/zinc/77/20/13/946772013.db2.gz XSCRJPBEMMOLES-MRXNPFEDSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1)C(C)C ZINC001573538647 946773368 /nfs/dbraw/zinc/77/33/68/946773368.db2.gz ZNSNEPNBUBRRCU-MRXNPFEDSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1)C(C)C ZINC001573538647 946773389 /nfs/dbraw/zinc/77/33/89/946773389.db2.gz ZNSNEPNBUBRRCU-MRXNPFEDSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573538661 946773866 /nfs/dbraw/zinc/77/38/66/946773866.db2.gz ZQODVIOKQOYVMU-GDBMZVCRSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573538661 946773875 /nfs/dbraw/zinc/77/38/75/946773875.db2.gz ZQODVIOKQOYVMU-GDBMZVCRSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573540561 946777836 /nfs/dbraw/zinc/77/78/36/946777836.db2.gz GBEDMAQTLFTZCP-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573540561 946777843 /nfs/dbraw/zinc/77/78/43/946777843.db2.gz GBEDMAQTLFTZCP-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001573540595 946778284 /nfs/dbraw/zinc/77/82/84/946778284.db2.gz HFHJUNXIJFAUEZ-NOZJJQNGSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001573540595 946778294 /nfs/dbraw/zinc/77/82/94/946778294.db2.gz HFHJUNXIJFAUEZ-NOZJJQNGSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573540609 946779066 /nfs/dbraw/zinc/77/90/66/946779066.db2.gz HXRPJGUQMRTLRD-IAQYHMDHSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573540609 946779073 /nfs/dbraw/zinc/77/90/73/946779073.db2.gz HXRPJGUQMRTLRD-IAQYHMDHSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573541191 946783446 /nfs/dbraw/zinc/78/34/46/946783446.db2.gz OFYBRMKNWRJEKM-GXTWGEPZSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573541191 946783451 /nfs/dbraw/zinc/78/34/51/946783451.db2.gz OFYBRMKNWRJEKM-GXTWGEPZSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)(C)C ZINC001573541050 946784177 /nfs/dbraw/zinc/78/41/77/946784177.db2.gz NCOSSGMRJJUWIO-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)(C)C ZINC001573541050 946784184 /nfs/dbraw/zinc/78/41/84/946784184.db2.gz NCOSSGMRJJUWIO-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541927 946790746 /nfs/dbraw/zinc/79/07/46/946790746.db2.gz YRAHDSMHBLLSTE-XHDPSFHLSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541927 946790752 /nfs/dbraw/zinc/79/07/52/946790752.db2.gz YRAHDSMHBLLSTE-XHDPSFHLSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573541915 946790847 /nfs/dbraw/zinc/79/08/47/946790847.db2.gz YDJOMZMWUDTVNU-DZGCQCFKSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573541915 946790853 /nfs/dbraw/zinc/79/08/53/946790853.db2.gz YDJOMZMWUDTVNU-DZGCQCFKSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573541901 946790902 /nfs/dbraw/zinc/79/09/02/946790902.db2.gz XSQCOPNJGUCJPH-OAHLLOKOSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573541901 946790904 /nfs/dbraw/zinc/79/09/04/946790904.db2.gz XSQCOPNJGUCJPH-OAHLLOKOSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573542174 946792294 /nfs/dbraw/zinc/79/22/94/946792294.db2.gz ALRQMUKANMQAGC-IJEWVQPXSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573542174 946792301 /nfs/dbraw/zinc/79/23/01/946792301.db2.gz ALRQMUKANMQAGC-IJEWVQPXSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2ncccc2-c2nnn[n-]2)nc1 ZINC001573547002 946824613 /nfs/dbraw/zinc/82/46/13/946824613.db2.gz FBFOHFLAVZVULP-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC[C@@H](C)Nc2ncccc2-c2nn[n-]n2)nc1 ZINC001573547002 946824624 /nfs/dbraw/zinc/82/46/24/946824624.db2.gz FBFOHFLAVZVULP-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC001573547910 946842778 /nfs/dbraw/zinc/84/27/78/946842778.db2.gz YFPXHTQTIOEVHW-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC001573547910 946842793 /nfs/dbraw/zinc/84/27/93/946842793.db2.gz YFPXHTQTIOEVHW-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573548025 946846659 /nfs/dbraw/zinc/84/66/59/946846659.db2.gz BNZZPJYBHUJTQI-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573548025 946846676 /nfs/dbraw/zinc/84/66/76/946846676.db2.gz BNZZPJYBHUJTQI-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1nc(C(=O)NC[C@H](C)Nc2ncccc2-c2nnn[n-]2)cs1 ZINC001573548036 946848024 /nfs/dbraw/zinc/84/80/24/946848024.db2.gz BTSTYHDKPPZUTL-QMMMGPOBSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)NC[C@H](C)Nc2ncccc2-c2nn[n-]n2)cs1 ZINC001573548036 946848041 /nfs/dbraw/zinc/84/80/41/946848041.db2.gz BTSTYHDKPPZUTL-QMMMGPOBSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)cs1 ZINC001573548503 946852033 /nfs/dbraw/zinc/85/20/33/946852033.db2.gz LZNGPGFIFUUIFD-QMMMGPOBSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)cs1 ZINC001573548503 946852044 /nfs/dbraw/zinc/85/20/44/946852044.db2.gz LZNGPGFIFUUIFD-QMMMGPOBSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1ncc(S(=O)(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)s1 ZINC001573548449 946854393 /nfs/dbraw/zinc/85/43/93/946854393.db2.gz LAHBQNRYGHMUBO-UHFFFAOYSA-N -1 3 391.438 0.986 20 0 GCADHM CC(=O)Nc1ncc(S(=O)(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)s1 ZINC001573548449 946854401 /nfs/dbraw/zinc/85/44/01/946854401.db2.gz LAHBQNRYGHMUBO-UHFFFAOYSA-N -1 3 391.438 0.986 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001573548734 946855335 /nfs/dbraw/zinc/85/53/35/946855335.db2.gz SAKUXBCDBPEFPN-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001573548734 946855341 /nfs/dbraw/zinc/85/53/41/946855341.db2.gz SAKUXBCDBPEFPN-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC=C(F)C1 ZINC000824640115 946880197 /nfs/dbraw/zinc/88/01/97/946880197.db2.gz ANOIRADSKUHKAJ-SNVBAGLBSA-N -1 3 380.405 0.619 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC=C(F)C1 ZINC000824640115 946880206 /nfs/dbraw/zinc/88/02/06/946880206.db2.gz ANOIRADSKUHKAJ-SNVBAGLBSA-N -1 3 380.405 0.619 20 0 GCADHM CC(C)[C@H]1CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824635051 946882273 /nfs/dbraw/zinc/88/22/73/946882273.db2.gz YDERTDTULZCAIT-SMDDNHRTSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)[C@H]1CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824635051 946882280 /nfs/dbraw/zinc/88/22/80/946882280.db2.gz YDERTDTULZCAIT-SMDDNHRTSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCCCO ZINC000824641601 946883914 /nfs/dbraw/zinc/88/39/14/946883914.db2.gz XINSQFKXSTTYPL-GFCCVEGCSA-N -1 3 396.473 0.202 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCCCO ZINC000824641601 946883925 /nfs/dbraw/zinc/88/39/25/946883925.db2.gz XINSQFKXSTTYPL-GFCCVEGCSA-N -1 3 396.473 0.202 20 0 GCADHM CC1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nnn[n-]2)COC1 ZINC000824784056 946930684 /nfs/dbraw/zinc/93/06/84/946930684.db2.gz NBRIXQKVTSKVNE-UHFFFAOYSA-N -1 3 382.428 0.720 20 0 GCADHM CC1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nn[n-]n2)COC1 ZINC000824784056 946930700 /nfs/dbraw/zinc/93/07/00/946930700.db2.gz NBRIXQKVTSKVNE-UHFFFAOYSA-N -1 3 382.428 0.720 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC001573558336 946937720 /nfs/dbraw/zinc/93/77/20/946937720.db2.gz JNRRBROASFILTG-UHFFFAOYSA-N -1 3 388.413 0.048 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC001573558336 946937728 /nfs/dbraw/zinc/93/77/28/946937728.db2.gz JNRRBROASFILTG-UHFFFAOYSA-N -1 3 388.413 0.048 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3cc(F)cc(-c4nnn[n-]4)c3)C2)nn1 ZINC001573558332 946938098 /nfs/dbraw/zinc/93/80/98/946938098.db2.gz JHVQFIYUUYYBFG-UHFFFAOYSA-N -1 3 392.376 0.046 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3cc(F)cc(-c4nn[n-]n4)c3)C2)nn1 ZINC001573558332 946938101 /nfs/dbraw/zinc/93/81/01/946938101.db2.gz JHVQFIYUUYYBFG-UHFFFAOYSA-N -1 3 392.376 0.046 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC001573558355 946938291 /nfs/dbraw/zinc/93/82/91/946938291.db2.gz JVVSXONLCHPCEY-LLVKDONJSA-N -1 3 382.384 0.512 20 0 GCADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCC(F)(F)C2)C1=O ZINC000824843459 946949446 /nfs/dbraw/zinc/94/94/46/946949446.db2.gz FFINEGVNTJSQRT-OAHLLOKOSA-N -1 3 377.355 0.932 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCC(F)(F)C2)C1=O ZINC000824843459 946949454 /nfs/dbraw/zinc/94/94/54/946949454.db2.gz FFINEGVNTJSQRT-OAHLLOKOSA-N -1 3 377.355 0.932 20 0 GCADHM CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1=O ZINC000825176399 947109675 /nfs/dbraw/zinc/10/96/75/947109675.db2.gz RYPAXJJZXYYTEM-KRWDZBQOSA-N -1 3 380.368 0.697 20 0 GCADHM CCCN(C(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000825302043 947148749 /nfs/dbraw/zinc/14/87/49/947148749.db2.gz UHZFKILHPABOCY-CQSZACIVSA-N -1 3 378.458 0.975 20 0 GCADHM CCCN(C(=O)NCc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000825302043 947148754 /nfs/dbraw/zinc/14/87/54/947148754.db2.gz UHZFKILHPABOCY-CQSZACIVSA-N -1 3 378.458 0.975 20 0 GCADHM CCCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825301177 947148805 /nfs/dbraw/zinc/14/88/05/947148805.db2.gz JLGYALPNMGUOIY-CQSZACIVSA-N -1 3 378.458 0.975 20 0 GCADHM CCCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825301177 947148810 /nfs/dbraw/zinc/14/88/10/947148810.db2.gz JLGYALPNMGUOIY-CQSZACIVSA-N -1 3 378.458 0.975 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000825476559 947199536 /nfs/dbraw/zinc/19/95/36/947199536.db2.gz NJEMLXOGBIBBIO-QMMMGPOBSA-N -1 3 391.379 0.799 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000825476559 947199540 /nfs/dbraw/zinc/19/95/40/947199540.db2.gz NJEMLXOGBIBBIO-QMMMGPOBSA-N -1 3 391.379 0.799 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000825492994 947204082 /nfs/dbraw/zinc/20/40/82/947204082.db2.gz JIKMRZXOPNZJQA-NSHDSACASA-N -1 3 394.457 0.319 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000825492994 947204091 /nfs/dbraw/zinc/20/40/91/947204091.db2.gz JIKMRZXOPNZJQA-NSHDSACASA-N -1 3 394.457 0.319 20 0 GCADHM CCOC(=O)[C@@H](CO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000825494333 947206039 /nfs/dbraw/zinc/20/60/39/947206039.db2.gz WNFRFSJHPHHXAX-LLVKDONJSA-N -1 3 392.441 0.515 20 0 GCADHM CCOC(=O)c1cnn(Cc2nc3ccccc3c(=O)n2C)c1-c1nnn[n-]1 ZINC000825570340 947231533 /nfs/dbraw/zinc/23/15/33/947231533.db2.gz IJVNUTRBSHSRKD-UHFFFAOYSA-N -1 3 380.368 0.535 20 0 GCADHM CCOCCN1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C[C@H]1CC ZINC000825600065 947251792 /nfs/dbraw/zinc/25/17/92/947251792.db2.gz YDWJNRBTCFCPBU-CYBMUJFWSA-N -1 3 377.449 0.665 20 0 GCADHM CCOCCN1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C[C@H]1CC ZINC000825600065 947251806 /nfs/dbraw/zinc/25/18/06/947251806.db2.gz YDWJNRBTCFCPBU-CYBMUJFWSA-N -1 3 377.449 0.665 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573585644 947262037 /nfs/dbraw/zinc/26/20/37/947262037.db2.gz HJHUPLNKYCIINN-STQMWFEESA-N -1 3 388.476 0.644 20 0 GCADHM CCS(=O)(=O)NC1CCN(c2cc(C(C)=O)ccc2-c2nnn[n-]2)CC1 ZINC000825663363 947283395 /nfs/dbraw/zinc/28/33/95/947283395.db2.gz MHQSVPMUKVJPBO-UHFFFAOYSA-N -1 3 378.458 0.977 20 0 GCADHM CCS(=O)(=O)NC1CCN(c2cc(C(C)=O)ccc2-c2nn[n-]n2)CC1 ZINC000825663363 947283404 /nfs/dbraw/zinc/28/34/04/947283404.db2.gz MHQSVPMUKVJPBO-UHFFFAOYSA-N -1 3 378.458 0.977 20 0 GCADHM CC(C)N(C(=O)[C@@H](C)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573587014 947299032 /nfs/dbraw/zinc/29/90/32/947299032.db2.gz VVBWNIHPPVNVHT-CYBMUJFWSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)N(C(=O)[C@@H](C)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573587014 947299041 /nfs/dbraw/zinc/29/90/41/947299041.db2.gz VVBWNIHPPVNVHT-CYBMUJFWSA-N -1 3 390.492 0.890 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC001573587249 947304551 /nfs/dbraw/zinc/30/45/51/947304551.db2.gz YPTGZGQBDRQHRR-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC001573587249 947304558 /nfs/dbraw/zinc/30/45/58/947304558.db2.gz YPTGZGQBDRQHRR-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573591398 947308549 /nfs/dbraw/zinc/30/85/49/947308549.db2.gz BGZQMUIVMDXCAJ-WBMJQRKESA-N -1 3 383.456 0.424 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573591398 947308560 /nfs/dbraw/zinc/30/85/60/947308560.db2.gz BGZQMUIVMDXCAJ-WBMJQRKESA-N -1 3 383.456 0.424 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCC(=O)N1 ZINC001573591499 947313563 /nfs/dbraw/zinc/31/35/63/947313563.db2.gz BXZINDIDAHLNFX-GXFFZTMASA-N -1 3 389.485 0.486 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)C(C)(F)F ZINC001573591507 947313803 /nfs/dbraw/zinc/31/38/03/947313803.db2.gz BYUNOVFEMFPRGX-ZYHUDNBSSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)(F)F ZINC001573591507 947313816 /nfs/dbraw/zinc/31/38/16/947313816.db2.gz BYUNOVFEMFPRGX-ZYHUDNBSSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1)C(F)(F)F ZINC001573591556 947316304 /nfs/dbraw/zinc/31/63/04/947316304.db2.gz CSWRXRSDSUCPJS-VHSXEESVSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1)C(F)(F)F ZINC001573591556 947316317 /nfs/dbraw/zinc/31/63/17/947316317.db2.gz CSWRXRSDSUCPJS-VHSXEESVSA-N -1 3 387.366 0.716 20 0 GCADHM CCc1nnc(N2CCC([C@@H](O)C(=O)OC)CC2)c(-c2nnn[n-]2)c1CC ZINC000825767251 947323474 /nfs/dbraw/zinc/32/34/74/947323474.db2.gz IAKQAMKBQOJNAI-CQSZACIVSA-N -1 3 375.433 0.532 20 0 GCADHM CCc1nnc(N2CCC([C@@H](O)C(=O)OC)CC2)c(-c2nn[n-]n2)c1CC ZINC000825767251 947323486 /nfs/dbraw/zinc/32/34/86/947323486.db2.gz IAKQAMKBQOJNAI-CQSZACIVSA-N -1 3 375.433 0.532 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573592075 947330662 /nfs/dbraw/zinc/33/06/62/947330662.db2.gz ILBYDLMPXKWEOV-NSHDSACASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573592075 947330676 /nfs/dbraw/zinc/33/06/76/947330676.db2.gz ILBYDLMPXKWEOV-NSHDSACASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573592266 947332016 /nfs/dbraw/zinc/33/20/16/947332016.db2.gz BTNCOENOXGRDMY-GCVQQVDUSA-N -1 3 386.395 0.655 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573592266 947332029 /nfs/dbraw/zinc/33/20/29/947332029.db2.gz BTNCOENOXGRDMY-GCVQQVDUSA-N -1 3 386.395 0.655 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC001573592295 947333866 /nfs/dbraw/zinc/33/38/66/947333866.db2.gz IUIOEPBTBONYPU-TZMCWYRMSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC001573592295 947333884 /nfs/dbraw/zinc/33/38/84/947333884.db2.gz IUIOEPBTBONYPU-TZMCWYRMSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573592575 947343013 /nfs/dbraw/zinc/34/30/13/947343013.db2.gz KODMHWFVVRILGR-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573592575 947343027 /nfs/dbraw/zinc/34/30/27/947343027.db2.gz KODMHWFVVRILGR-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM CN(C)C(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825845882 947343782 /nfs/dbraw/zinc/34/37/82/947343782.db2.gz NMENVHRMYJQLRX-MRXNPFEDSA-N -1 3 380.408 0.918 20 0 GCADHM CN(C)C(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825845882 947343792 /nfs/dbraw/zinc/34/37/92/947343792.db2.gz NMENVHRMYJQLRX-MRXNPFEDSA-N -1 3 380.408 0.918 20 0 GCADHM CN(C)C(=O)NCCN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825846359 947344043 /nfs/dbraw/zinc/34/40/43/947344043.db2.gz YEZQKAAJPMGVGY-UHFFFAOYSA-N -1 3 394.823 0.188 20 0 GCADHM CN(C)C(=O)NCCN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825846359 947344057 /nfs/dbraw/zinc/34/40/57/947344057.db2.gz YEZQKAAJPMGVGY-UHFFFAOYSA-N -1 3 394.823 0.188 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573592774 947349310 /nfs/dbraw/zinc/34/93/10/947349310.db2.gz MPMRPBIIWXQYAE-ZWNOBZJWSA-N -1 3 377.424 0.702 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573592774 947349324 /nfs/dbraw/zinc/34/93/24/947349324.db2.gz MPMRPBIIWXQYAE-ZWNOBZJWSA-N -1 3 377.424 0.702 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)n(C)c1 ZINC000825875536 947352617 /nfs/dbraw/zinc/35/26/17/947352617.db2.gz SIEFJWCIYMHXEY-UHFFFAOYSA-N -1 3 375.414 0.708 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)n(C)c1 ZINC000825875536 947352631 /nfs/dbraw/zinc/35/26/31/947352631.db2.gz SIEFJWCIYMHXEY-UHFFFAOYSA-N -1 3 375.414 0.708 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)n(C)c1 ZINC000825875436 947353734 /nfs/dbraw/zinc/35/37/34/947353734.db2.gz PLDDOFCOGQAMJF-UHFFFAOYSA-N -1 3 376.398 0.675 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)n(C)c1 ZINC000825875436 947353744 /nfs/dbraw/zinc/35/37/44/947353744.db2.gz PLDDOFCOGQAMJF-UHFFFAOYSA-N -1 3 376.398 0.675 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573593041 947357902 /nfs/dbraw/zinc/35/79/02/947357902.db2.gz POCOIXMCWDBGTB-NEPJUHHUSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573593041 947357910 /nfs/dbraw/zinc/35/79/10/947357910.db2.gz POCOIXMCWDBGTB-NEPJUHHUSA-N -1 3 391.476 0.768 20 0 GCADHM CN(CC(=O)N1CCOCC1)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825892379 947360397 /nfs/dbraw/zinc/36/03/97/947360397.db2.gz MGUPVPQUHVYCSQ-UHFFFAOYSA-N -1 3 396.455 0.558 20 0 GCADHM CN(CC(=O)N1CCOCC1)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825892379 947360411 /nfs/dbraw/zinc/36/04/11/947360411.db2.gz MGUPVPQUHVYCSQ-UHFFFAOYSA-N -1 3 396.455 0.558 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573593425 947371469 /nfs/dbraw/zinc/37/14/69/947371469.db2.gz SXXAPSWVQWEGKQ-CMPLNLGQSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573593425 947371482 /nfs/dbraw/zinc/37/14/82/947371482.db2.gz SXXAPSWVQWEGKQ-CMPLNLGQSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573594634 947402928 /nfs/dbraw/zinc/40/29/28/947402928.db2.gz BNFRZZSWPSYZOA-WDEREUQCSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573594634 947402938 /nfs/dbraw/zinc/40/29/38/947402938.db2.gz BNFRZZSWPSYZOA-WDEREUQCSA-N -1 3 377.449 0.426 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2nc3ccccn3c2-c2nnn[n-]2)C1=O ZINC000826018440 947406083 /nfs/dbraw/zinc/40/60/83/947406083.db2.gz ZCWDEUIAFFZOLC-QGHHPUGFSA-N -1 3 381.400 0.647 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@@H]2CNc2nc3ccccn3c2-c2nn[n-]n2)C1=O ZINC000826018440 947406090 /nfs/dbraw/zinc/40/60/90/947406090.db2.gz ZCWDEUIAFFZOLC-QGHHPUGFSA-N -1 3 381.400 0.647 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573594880 947410154 /nfs/dbraw/zinc/41/01/54/947410154.db2.gz DIYRAGYAXANAJH-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573594880 947410163 /nfs/dbraw/zinc/41/01/63/947410163.db2.gz DIYRAGYAXANAJH-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573594909 947410984 /nfs/dbraw/zinc/41/09/84/947410984.db2.gz DVADGTNSOMSSAT-ZYHUDNBSSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573594909 947410993 /nfs/dbraw/zinc/41/09/93/947410993.db2.gz DVADGTNSOMSSAT-ZYHUDNBSSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573595006 947412970 /nfs/dbraw/zinc/41/29/70/947412970.db2.gz WJNMGNKIZGRAOB-CHWSQXEVSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573595006 947412979 /nfs/dbraw/zinc/41/29/79/947412979.db2.gz WJNMGNKIZGRAOB-CHWSQXEVSA-N -1 3 382.428 0.930 20 0 GCADHM CN1N=C(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCC1=O ZINC000826051387 947418878 /nfs/dbraw/zinc/41/88/78/947418878.db2.gz KZJYXQQRQUAEBM-UHFFFAOYSA-N -1 3 382.428 0.119 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573596107 947426396 /nfs/dbraw/zinc/42/63/96/947426396.db2.gz INAUGKISULUNHJ-CBAPKCEASA-N -1 3 391.329 0.830 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573596107 947426406 /nfs/dbraw/zinc/42/64/06/947426406.db2.gz INAUGKISULUNHJ-CBAPKCEASA-N -1 3 391.329 0.830 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1)c1cccnc1 ZINC001573597864 947439678 /nfs/dbraw/zinc/43/96/78/947439678.db2.gz PCRSHOGITYYYSZ-GXTWGEPZSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1)c1cccnc1 ZINC001573597864 947439684 /nfs/dbraw/zinc/43/96/84/947439684.db2.gz PCRSHOGITYYYSZ-GXTWGEPZSA-N -1 3 382.428 0.692 20 0 GCADHM COC(=O)[C@@]1(F)CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826123541 947441388 /nfs/dbraw/zinc/44/13/88/947441388.db2.gz GBOXAZSMMUNYPW-KBXCAEBGSA-N -1 3 388.403 0.949 20 0 GCADHM COC(=O)[C@@]1(F)CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826123541 947441393 /nfs/dbraw/zinc/44/13/93/947441393.db2.gz GBOXAZSMMUNYPW-KBXCAEBGSA-N -1 3 388.403 0.949 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573598970 947447830 /nfs/dbraw/zinc/44/78/30/947447830.db2.gz SPXYEKYCGAOGFU-PWSUYJOCSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573598970 947447835 /nfs/dbraw/zinc/44/78/35/947447835.db2.gz SPXYEKYCGAOGFU-PWSUYJOCSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573598971 947448111 /nfs/dbraw/zinc/44/81/11/947448111.db2.gz SPXYEKYCGAOGFU-ZYHUDNBSSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573598971 947448116 /nfs/dbraw/zinc/44/81/16/947448116.db2.gz SPXYEKYCGAOGFU-ZYHUDNBSSA-N -1 3 377.449 0.426 20 0 GCADHM COC(=O)[C@@H]1CN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000826134340 947450325 /nfs/dbraw/zinc/45/03/25/947450325.db2.gz VOQSRMSWEYRBHX-GJZGRUSLSA-N -1 3 386.412 0.236 20 0 GCADHM COC(=O)[C@@H]1CN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000826134340 947450336 /nfs/dbraw/zinc/45/03/36/947450336.db2.gz VOQSRMSWEYRBHX-GJZGRUSLSA-N -1 3 386.412 0.236 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573599665 947459702 /nfs/dbraw/zinc/45/97/02/947459702.db2.gz ZJCUWWFYJRQFIT-CMPLNLGQSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573599665 947459711 /nfs/dbraw/zinc/45/97/11/947459711.db2.gz ZJCUWWFYJRQFIT-CMPLNLGQSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573603318 947481661 /nfs/dbraw/zinc/48/16/61/947481661.db2.gz KBHATEJBKSRUGN-LBPRGKRZSA-N -1 3 380.474 0.190 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccn1 ZINC001573603216 947482423 /nfs/dbraw/zinc/48/24/23/947482423.db2.gz FBACTHOUPUMCHY-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccn1 ZINC001573603216 947482430 /nfs/dbraw/zinc/48/24/30/947482430.db2.gz FBACTHOUPUMCHY-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM COCCCOCC(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000826156468 947491550 /nfs/dbraw/zinc/49/15/50/947491550.db2.gz FHESBLQKNMBOHG-LLVKDONJSA-N -1 3 381.414 0.630 20 0 GCADHM COCCCOCC(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000826156468 947491557 /nfs/dbraw/zinc/49/15/57/947491557.db2.gz FHESBLQKNMBOHG-LLVKDONJSA-N -1 3 381.414 0.630 20 0 GCADHM COCCCOCC(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000826156469 947492053 /nfs/dbraw/zinc/49/20/53/947492053.db2.gz FHESBLQKNMBOHG-NSHDSACASA-N -1 3 381.414 0.630 20 0 GCADHM COCCCOCC(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000826156469 947492063 /nfs/dbraw/zinc/49/20/63/947492063.db2.gz FHESBLQKNMBOHG-NSHDSACASA-N -1 3 381.414 0.630 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573603583 947492963 /nfs/dbraw/zinc/49/29/63/947492963.db2.gz OBGLAGVIXXUGCE-GFCCVEGCSA-N -1 3 382.428 0.924 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573603583 947492969 /nfs/dbraw/zinc/49/29/69/947492969.db2.gz OBGLAGVIXXUGCE-GFCCVEGCSA-N -1 3 382.428 0.924 20 0 GCADHM COCCCOCC(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826156608 947494978 /nfs/dbraw/zinc/49/49/78/947494978.db2.gz LXEHYTOSLBJZBA-AWEZNQCLSA-N -1 3 375.385 0.568 20 0 GCADHM COCCCOCC(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826156608 947494988 /nfs/dbraw/zinc/49/49/88/947494988.db2.gz LXEHYTOSLBJZBA-AWEZNQCLSA-N -1 3 375.385 0.568 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)[C@H]1CCCO1 ZINC001573603795 947496714 /nfs/dbraw/zinc/49/67/14/947496714.db2.gz JWIMXJJRJIOVIK-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)[C@H]1CCCO1 ZINC001573603795 947496722 /nfs/dbraw/zinc/49/67/22/947496722.db2.gz JWIMXJJRJIOVIK-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM COCCN(CC(=O)OC)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826157556 947498065 /nfs/dbraw/zinc/49/80/65/947498065.db2.gz AFNZYSQTCQJLFB-UHFFFAOYSA-N -1 3 385.428 0.889 20 0 GCADHM COCCN(CC(=O)OC)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826157556 947498077 /nfs/dbraw/zinc/49/80/77/947498077.db2.gz AFNZYSQTCQJLFB-UHFFFAOYSA-N -1 3 385.428 0.889 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)Cc1cc(-c2nn[n-]n2)ccc1F)n1cncn1 ZINC001573604085 947504733 /nfs/dbraw/zinc/50/47/33/947504733.db2.gz RRQKMFAATXEVDS-LBPRGKRZSA-N -1 3 387.423 0.749 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573604366 947508780 /nfs/dbraw/zinc/50/87/80/947508780.db2.gz SMUHMYIQGKWAPS-SNVBAGLBSA-N -1 3 390.839 0.662 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573604366 947508788 /nfs/dbraw/zinc/50/87/88/947508788.db2.gz SMUHMYIQGKWAPS-SNVBAGLBSA-N -1 3 390.839 0.662 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000826164050 947516368 /nfs/dbraw/zinc/51/63/68/947516368.db2.gz XALBGIRXPZAENT-UHFFFAOYSA-N -1 3 385.384 0.814 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000826164050 947516379 /nfs/dbraw/zinc/51/63/79/947516379.db2.gz XALBGIRXPZAENT-UHFFFAOYSA-N -1 3 385.384 0.814 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573604865 947521423 /nfs/dbraw/zinc/52/14/23/947521423.db2.gz XJLRTINBUAIOKE-SNVBAGLBSA-N -1 3 384.437 0.334 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573604865 947521437 /nfs/dbraw/zinc/52/14/37/947521437.db2.gz XJLRTINBUAIOKE-SNVBAGLBSA-N -1 3 384.437 0.334 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001573605096 947523902 /nfs/dbraw/zinc/52/39/02/947523902.db2.gz YJNCPLSOPYJWJT-RISCZKNCSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001573605096 947523913 /nfs/dbraw/zinc/52/39/13/947523913.db2.gz YJNCPLSOPYJWJT-RISCZKNCSA-N -1 3 375.433 0.540 20 0 GCADHM COc1c(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cccc1C(N)=O ZINC000826167136 947525294 /nfs/dbraw/zinc/52/52/94/947525294.db2.gz QUBAILHZRGNBAB-UHFFFAOYSA-N -1 3 395.379 0.229 20 0 GCADHM COc1c(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cccc1C(N)=O ZINC000826167136 947525305 /nfs/dbraw/zinc/52/53/05/947525305.db2.gz QUBAILHZRGNBAB-UHFFFAOYSA-N -1 3 395.379 0.229 20 0 GCADHM COc1c(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)cccc1C(N)=O ZINC000826166842 947526480 /nfs/dbraw/zinc/52/64/80/947526480.db2.gz DLIBSCWEPXWURU-UHFFFAOYSA-N -1 3 397.399 0.603 20 0 GCADHM COc1c(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)cccc1C(N)=O ZINC000826166842 947526495 /nfs/dbraw/zinc/52/64/95/947526495.db2.gz DLIBSCWEPXWURU-UHFFFAOYSA-N -1 3 397.399 0.603 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573607169 947540136 /nfs/dbraw/zinc/54/01/36/947540136.db2.gz GJQVRVKJSAZZIB-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573607169 947540143 /nfs/dbraw/zinc/54/01/43/947540143.db2.gz GJQVRVKJSAZZIB-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573607141 947540909 /nfs/dbraw/zinc/54/09/09/947540909.db2.gz FYPQOJVHFMHWKS-JTQLQIEISA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573607141 947540923 /nfs/dbraw/zinc/54/09/23/947540923.db2.gz FYPQOJVHFMHWKS-JTQLQIEISA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573607301 947544754 /nfs/dbraw/zinc/54/47/54/947544754.db2.gz JFBXYCNQFIQHJX-LLVKDONJSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573607301 947544764 /nfs/dbraw/zinc/54/47/64/947544764.db2.gz JFBXYCNQFIQHJX-LLVKDONJSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573607474 947549076 /nfs/dbraw/zinc/54/90/76/947549076.db2.gz NSBDEFQELVBKLN-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573607474 947549084 /nfs/dbraw/zinc/54/90/84/947549084.db2.gz NSBDEFQELVBKLN-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573607479 947549464 /nfs/dbraw/zinc/54/94/64/947549464.db2.gz NTIOGUKUASVAEM-NSHDSACASA-N -1 3 389.395 0.091 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573607479 947549475 /nfs/dbraw/zinc/54/94/75/947549475.db2.gz NTIOGUKUASVAEM-NSHDSACASA-N -1 3 389.395 0.091 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573608342 947561112 /nfs/dbraw/zinc/56/11/12/947561112.db2.gz YPNVKGFBQZFQMT-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573608342 947561118 /nfs/dbraw/zinc/56/11/18/947561118.db2.gz YPNVKGFBQZFQMT-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573613521 947564593 /nfs/dbraw/zinc/56/45/93/947564593.db2.gz BOGRJYAJOZAUKG-FPMFFAJLSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573613521 947564597 /nfs/dbraw/zinc/56/45/97/947564597.db2.gz BOGRJYAJOZAUKG-FPMFFAJLSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cncn1 ZINC001573613583 947564610 /nfs/dbraw/zinc/56/46/10/947564610.db2.gz CWFYAABOKYOQCA-WCQYABFASA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cncn1 ZINC001573613583 947564615 /nfs/dbraw/zinc/56/46/15/947564615.db2.gz CWFYAABOKYOQCA-WCQYABFASA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cncn1 ZINC001573613581 947565007 /nfs/dbraw/zinc/56/50/07/947565007.db2.gz CWFYAABOKYOQCA-AAEUAGOBSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cncn1 ZINC001573613581 947565015 /nfs/dbraw/zinc/56/50/15/947565015.db2.gz CWFYAABOKYOQCA-AAEUAGOBSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573614328 947584473 /nfs/dbraw/zinc/58/44/73/947584473.db2.gz DJRPEJGWKRBDSX-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573614328 947584482 /nfs/dbraw/zinc/58/44/82/947584482.db2.gz DJRPEJGWKRBDSX-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C=CS(=O)(=O)CCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573350870 947604119 /nfs/dbraw/zinc/60/41/19/947604119.db2.gz JRQMCTMXGLVBRI-UHFFFAOYSA-N -1 3 391.457 0.295 20 0 GCADHM C=CS(=O)(=O)CCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573350870 947604123 /nfs/dbraw/zinc/60/41/23/947604123.db2.gz JRQMCTMXGLVBRI-UHFFFAOYSA-N -1 3 391.457 0.295 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573616174 947618327 /nfs/dbraw/zinc/61/83/27/947618327.db2.gz MCJZPUGZWWPGMF-DTWKUNHWSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573616174 947618335 /nfs/dbraw/zinc/61/83/35/947618335.db2.gz MCJZPUGZWWPGMF-DTWKUNHWSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573616641 947625813 /nfs/dbraw/zinc/62/58/13/947625813.db2.gz YJESSYSCUZIKOA-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573616641 947625822 /nfs/dbraw/zinc/62/58/22/947625822.db2.gz YJESSYSCUZIKOA-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCO2)C1CC1 ZINC001573616821 947629203 /nfs/dbraw/zinc/62/92/03/947629203.db2.gz YNWWMCAWHCQJDX-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2)C1CC1 ZINC001573616821 947629215 /nfs/dbraw/zinc/62/92/15/947629215.db2.gz YNWWMCAWHCQJDX-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573354695 947636220 /nfs/dbraw/zinc/63/62/20/947636220.db2.gz HDPSBVJJANVDGQ-CYBMUJFWSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573354695 947636228 /nfs/dbraw/zinc/63/62/28/947636228.db2.gz HDPSBVJJANVDGQ-CYBMUJFWSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573355069 947640189 /nfs/dbraw/zinc/64/01/89/947640189.db2.gz LRIVOKKROLYYKF-ZDUSSCGKSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573355069 947640199 /nfs/dbraw/zinc/64/01/99/947640199.db2.gz LRIVOKKROLYYKF-ZDUSSCGKSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573617814 947640543 /nfs/dbraw/zinc/64/05/43/947640543.db2.gz NENXIINNEMADIZ-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573617814 947640547 /nfs/dbraw/zinc/64/05/47/947640547.db2.gz NENXIINNEMADIZ-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573617714 947641622 /nfs/dbraw/zinc/64/16/22/947641622.db2.gz MPUGOZDXNVPTMH-IUODEOHRSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573617714 947641637 /nfs/dbraw/zinc/64/16/37/947641637.db2.gz MPUGOZDXNVPTMH-IUODEOHRSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573617986 947645435 /nfs/dbraw/zinc/64/54/35/947645435.db2.gz OCDFGOPKPGLHQK-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573617986 947645440 /nfs/dbraw/zinc/64/54/40/947645440.db2.gz OCDFGOPKPGLHQK-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573619519 947665078 /nfs/dbraw/zinc/66/50/78/947665078.db2.gz VNSCOUYUOLBZIW-IUODEOHRSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573619845 947672567 /nfs/dbraw/zinc/67/25/67/947672567.db2.gz WZSFTTOPICXJKL-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573619845 947672572 /nfs/dbraw/zinc/67/25/72/947672572.db2.gz WZSFTTOPICXJKL-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001573619858 947672694 /nfs/dbraw/zinc/67/26/94/947672694.db2.gz YHPUYQYCXAZUAJ-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001573619858 947672705 /nfs/dbraw/zinc/67/27/05/947672705.db2.gz YHPUYQYCXAZUAJ-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573622556 947681134 /nfs/dbraw/zinc/68/11/34/947681134.db2.gz AWUPYEKKGMFMGF-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573622556 947681139 /nfs/dbraw/zinc/68/11/39/947681139.db2.gz AWUPYEKKGMFMGF-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C/C(=C/C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573359262 947682712 /nfs/dbraw/zinc/68/27/12/947682712.db2.gz XONXYWLDQSKPEX-RQWJFSOLSA-N -1 3 387.444 0.442 20 0 GCADHM C/C(=C/C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573359262 947682722 /nfs/dbraw/zinc/68/27/22/947682722.db2.gz XONXYWLDQSKPEX-RQWJFSOLSA-N -1 3 387.444 0.442 20 0 GCADHM C/C(=C/C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573361864 947698795 /nfs/dbraw/zinc/69/87/95/947698795.db2.gz GANKCGXGLVBXRQ-IBWPDUFMSA-N -1 3 385.428 0.244 20 0 GCADHM C/C(=C/C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573361864 947698803 /nfs/dbraw/zinc/69/88/03/947698803.db2.gz GANKCGXGLVBXRQ-IBWPDUFMSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573625569 947701585 /nfs/dbraw/zinc/70/15/85/947701585.db2.gz OUVWCGMRSLTTRH-ZMZPIMSZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573625569 947701596 /nfs/dbraw/zinc/70/15/96/947701596.db2.gz OUVWCGMRSLTTRH-ZMZPIMSZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573625538 947701780 /nfs/dbraw/zinc/70/17/80/947701780.db2.gz OSWYOZFMTRWQGV-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573625538 947701787 /nfs/dbraw/zinc/70/17/87/947701787.db2.gz OSWYOZFMTRWQGV-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573626358 947709527 /nfs/dbraw/zinc/70/95/27/947709527.db2.gz TUUBGFYUVXGRTL-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573626358 947709535 /nfs/dbraw/zinc/70/95/35/947709535.db2.gz TUUBGFYUVXGRTL-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573626369 947710144 /nfs/dbraw/zinc/71/01/44/947710144.db2.gz TZHDDJMDPZGOMK-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573626369 947710154 /nfs/dbraw/zinc/71/01/54/947710154.db2.gz TZHDDJMDPZGOMK-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573626935 947714229 /nfs/dbraw/zinc/71/42/29/947714229.db2.gz XMEFZBGGHFTSRP-BBATYDOGSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573626935 947714238 /nfs/dbraw/zinc/71/42/38/947714238.db2.gz XMEFZBGGHFTSRP-BBATYDOGSA-N -1 3 389.460 0.570 20 0 GCADHM Cc1c(NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC000826241734 947717751 /nfs/dbraw/zinc/71/77/51/947717751.db2.gz MLRRRSBOXGISOW-JTQLQIEISA-N -1 3 379.446 0.673 20 0 GCADHM Cc1c(NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC000826241734 947717759 /nfs/dbraw/zinc/71/77/59/947717759.db2.gz MLRRRSBOXGISOW-JTQLQIEISA-N -1 3 379.446 0.673 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573627477 947723762 /nfs/dbraw/zinc/72/37/62/947723762.db2.gz BYWDWBQUNDTQPW-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573627477 947723771 /nfs/dbraw/zinc/72/37/71/947723771.db2.gz BYWDWBQUNDTQPW-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)N1C(=O)CCC1=O ZINC001573627571 947726850 /nfs/dbraw/zinc/72/68/50/947726850.db2.gz ATAHWEBKNUXQRN-YPMHNXCESA-N -1 3 398.427 0.202 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)N1C(=O)CCC1=O ZINC001573627571 947726861 /nfs/dbraw/zinc/72/68/61/947726861.db2.gz ATAHWEBKNUXQRN-YPMHNXCESA-N -1 3 398.427 0.202 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573627683 947732193 /nfs/dbraw/zinc/73/21/93/947732193.db2.gz DSUCGNKEBDBFTK-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573627683 947732201 /nfs/dbraw/zinc/73/22/01/947732201.db2.gz DSUCGNKEBDBFTK-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573627685 947732811 /nfs/dbraw/zinc/73/28/11/947732811.db2.gz DVJFOIBLZCGMQR-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573627685 947732820 /nfs/dbraw/zinc/73/28/20/947732820.db2.gz DVJFOIBLZCGMQR-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573627996 947742759 /nfs/dbraw/zinc/74/27/59/947742759.db2.gz DXSVIKMSDRTTDP-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573627996 947742764 /nfs/dbraw/zinc/74/27/64/947742764.db2.gz DXSVIKMSDRTTDP-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM CC(=O)C[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001573366862 947748447 /nfs/dbraw/zinc/74/84/47/947748447.db2.gz UNBTZMOXOPHBNJ-JTQLQIEISA-N -1 3 385.833 0.889 20 0 GCADHM CC(=O)C[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001573366862 947748460 /nfs/dbraw/zinc/74/84/60/947748460.db2.gz UNBTZMOXOPHBNJ-JTQLQIEISA-N -1 3 385.833 0.889 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573366908 947750942 /nfs/dbraw/zinc/75/09/42/947750942.db2.gz VBKCXLPMBOJZFT-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573366908 947750947 /nfs/dbraw/zinc/75/09/47/947750947.db2.gz VBKCXLPMBOJZFT-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573367775 947763917 /nfs/dbraw/zinc/76/39/17/947763917.db2.gz IDXJRRGGQAEXKH-AWEZNQCLSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573367775 947763921 /nfs/dbraw/zinc/76/39/21/947763921.db2.gz IDXJRRGGQAEXKH-AWEZNQCLSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628805 947765048 /nfs/dbraw/zinc/76/50/48/947765048.db2.gz OGLXIEBDMYIUQZ-GXTWGEPZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628805 947765053 /nfs/dbraw/zinc/76/50/53/947765053.db2.gz OGLXIEBDMYIUQZ-GXTWGEPZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573628815 947766118 /nfs/dbraw/zinc/76/61/18/947766118.db2.gz OHHHBKJUPVADFS-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573628815 947766124 /nfs/dbraw/zinc/76/61/24/947766124.db2.gz OHHHBKJUPVADFS-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM Cc1cc(C)nc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826265797 947768066 /nfs/dbraw/zinc/76/80/66/947768066.db2.gz NLKNLSTZVOBRER-MRXNPFEDSA-N -1 3 394.439 0.656 20 0 GCADHM Cc1cc(C)nc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826265797 947768074 /nfs/dbraw/zinc/76/80/74/947768074.db2.gz NLKNLSTZVOBRER-MRXNPFEDSA-N -1 3 394.439 0.656 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573629051 947771458 /nfs/dbraw/zinc/77/14/58/947771458.db2.gz QJCXRWSKHNDKFN-OLZOCXBDSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573629051 947771464 /nfs/dbraw/zinc/77/14/64/947771464.db2.gz QJCXRWSKHNDKFN-OLZOCXBDSA-N -1 3 382.432 0.542 20 0 GCADHM Cc1onc(CC(=O)N[C@@H]2CCCN(c3cc(C)nc(C)n3)C2)c1-c1nnn[n-]1 ZINC000826269133 947777362 /nfs/dbraw/zinc/77/73/62/947777362.db2.gz BDMSKMBCILAICR-CYBMUJFWSA-N -1 3 397.443 0.898 20 0 GCADHM Cc1onc(CC(=O)N[C@@H]2CCCN(c3cc(C)nc(C)n3)C2)c1-c1nn[n-]n1 ZINC000826269133 947777369 /nfs/dbraw/zinc/77/73/69/947777369.db2.gz BDMSKMBCILAICR-CYBMUJFWSA-N -1 3 397.443 0.898 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573630248 947788501 /nfs/dbraw/zinc/78/85/01/947788501.db2.gz XAUHRMNRWZFHQV-PWSUYJOCSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573630248 947788508 /nfs/dbraw/zinc/78/85/08/947788508.db2.gz XAUHRMNRWZFHQV-PWSUYJOCSA-N -1 3 386.395 0.656 20 0 GCADHM Cc1cc(S(=O)(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c(C)o1 ZINC000826271741 947789138 /nfs/dbraw/zinc/78/91/38/947789138.db2.gz FMKGOKJGFMUAOE-UHFFFAOYSA-N -1 3 389.441 0.982 20 0 GCADHM Cc1cc(S(=O)(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c(C)o1 ZINC000826271741 947789141 /nfs/dbraw/zinc/78/91/41/947789141.db2.gz FMKGOKJGFMUAOE-UHFFFAOYSA-N -1 3 389.441 0.982 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001573373473 947794505 /nfs/dbraw/zinc/79/45/05/947794505.db2.gz JCUWXQUZUFAOIS-YPMHNXCESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001573373473 947794514 /nfs/dbraw/zinc/79/45/14/947794514.db2.gz JCUWXQUZUFAOIS-YPMHNXCESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573374077 947803681 /nfs/dbraw/zinc/80/36/81/947803681.db2.gz HLSZFCXUNVDION-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573374077 947803687 /nfs/dbraw/zinc/80/36/87/947803687.db2.gz HLSZFCXUNVDION-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001573637526 947817681 /nfs/dbraw/zinc/81/76/81/947817681.db2.gz HJPVYNQTXHTZLW-WFASDCNBSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001573637526 947817689 /nfs/dbraw/zinc/81/76/89/947817689.db2.gz HJPVYNQTXHTZLW-WFASDCNBSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(O)(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573375233 947817933 /nfs/dbraw/zinc/81/79/33/947817933.db2.gz RVEOJYFEABTYAH-UHFFFAOYSA-N -1 3 387.444 0.786 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(O)(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573375233 947817944 /nfs/dbraw/zinc/81/79/44/947817944.db2.gz RVEOJYFEABTYAH-UHFFFAOYSA-N -1 3 387.444 0.786 20 0 GCADHM C[C@H](C(=O)N1CCCN(Cc2cccc(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC001573637753 947824495 /nfs/dbraw/zinc/82/44/95/947824495.db2.gz PGNZTBQOHHRJCT-CYBMUJFWSA-N -1 3 392.485 0.334 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)n1cncn1 ZINC001573637864 947827673 /nfs/dbraw/zinc/82/76/73/947827673.db2.gz SNVSDCADQZIMIE-NSHDSACASA-N -1 3 386.395 0.292 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)n1cncn1 ZINC001573637864 947827681 /nfs/dbraw/zinc/82/76/81/947827681.db2.gz SNVSDCADQZIMIE-NSHDSACASA-N -1 3 386.395 0.292 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573376212 947831327 /nfs/dbraw/zinc/83/13/27/947831327.db2.gz UEAQPVAWGFWXPL-CQSZACIVSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573376212 947831338 /nfs/dbraw/zinc/83/13/38/947831338.db2.gz UEAQPVAWGFWXPL-CQSZACIVSA-N -1 3 375.433 0.825 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cccnc1 ZINC001573638049 947832008 /nfs/dbraw/zinc/83/20/08/947832008.db2.gz BNEIDJJCNFNBLL-LBPRGKRZSA-N -1 3 380.412 0.678 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cccnc1 ZINC001573638049 947832022 /nfs/dbraw/zinc/83/20/22/947832022.db2.gz BNEIDJJCNFNBLL-LBPRGKRZSA-N -1 3 380.412 0.678 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cncnc1 ZINC001573638090 947834381 /nfs/dbraw/zinc/83/43/81/947834381.db2.gz CLZNOPADQVJIPJ-LLVKDONJSA-N -1 3 381.400 0.073 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cncnc1 ZINC001573638090 947834392 /nfs/dbraw/zinc/83/43/92/947834392.db2.gz CLZNOPADQVJIPJ-LLVKDONJSA-N -1 3 381.400 0.073 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1ccnn1C ZINC001573638737 947841764 /nfs/dbraw/zinc/84/17/64/947841764.db2.gz TZFSJPHIEYZQCD-NSHDSACASA-N -1 3 383.416 0.016 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1ccnn1C ZINC001573638737 947841775 /nfs/dbraw/zinc/84/17/75/947841775.db2.gz TZFSJPHIEYZQCD-NSHDSACASA-N -1 3 383.416 0.016 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573376809 947842681 /nfs/dbraw/zinc/84/26/81/947842681.db2.gz YJXYDOFSPTXGQH-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573376809 947842689 /nfs/dbraw/zinc/84/26/89/947842689.db2.gz YJXYDOFSPTXGQH-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)[C@H]1CCCO1 ZINC001573639748 947848250 /nfs/dbraw/zinc/84/82/50/947848250.db2.gz CEYYHYLWAZRSCR-BXUZGUMPSA-N -1 3 375.408 0.865 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)[C@H]1CCCO1 ZINC001573639748 947848255 /nfs/dbraw/zinc/84/82/55/947848255.db2.gz CEYYHYLWAZRSCR-BXUZGUMPSA-N -1 3 375.408 0.865 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573377592 947850811 /nfs/dbraw/zinc/85/08/11/947850811.db2.gz OXGCNLOSHDDWDC-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573377592 947850822 /nfs/dbraw/zinc/85/08/22/947850822.db2.gz OXGCNLOSHDDWDC-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573377723 947852736 /nfs/dbraw/zinc/85/27/36/947852736.db2.gz REFOVMPVYYPLHL-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573377723 947852744 /nfs/dbraw/zinc/85/27/44/947852744.db2.gz REFOVMPVYYPLHL-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573380305 947856204 /nfs/dbraw/zinc/85/62/04/947856204.db2.gz AOWYJCCDIPWFHS-GOSISDBHSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573380305 947856209 /nfs/dbraw/zinc/85/62/09/947856209.db2.gz AOWYJCCDIPWFHS-GOSISDBHSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573380506 947858598 /nfs/dbraw/zinc/85/85/98/947858598.db2.gz DMLVODXDKMDPHQ-GOSISDBHSA-N -1 3 387.444 0.387 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573380506 947858603 /nfs/dbraw/zinc/85/86/03/947858603.db2.gz DMLVODXDKMDPHQ-GOSISDBHSA-N -1 3 387.444 0.387 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573380522 947861719 /nfs/dbraw/zinc/86/17/19/947861719.db2.gz DTLWACZAMOLKEV-AWEZNQCLSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573380522 947861726 /nfs/dbraw/zinc/86/17/26/947861726.db2.gz DTLWACZAMOLKEV-AWEZNQCLSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573380573 947861822 /nfs/dbraw/zinc/86/18/22/947861822.db2.gz FVONIHHIKVPCAK-SJORKVTESA-N -1 3 386.456 0.677 20 0 GCADHM C[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573642449 947862015 /nfs/dbraw/zinc/86/20/15/947862015.db2.gz QMDNEGLUQLJBAX-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573642449 947862022 /nfs/dbraw/zinc/86/20/22/947862022.db2.gz QMDNEGLUQLJBAX-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)c1cnn(C)c1 ZINC001573643673 947865532 /nfs/dbraw/zinc/86/55/32/947865532.db2.gz WCEXZYLMIJKMAG-LLVKDONJSA-N -1 3 385.407 0.587 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)c1cnn(C)c1 ZINC001573643673 947865538 /nfs/dbraw/zinc/86/55/38/947865538.db2.gz WCEXZYLMIJKMAG-LLVKDONJSA-N -1 3 385.407 0.587 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573381130 947868661 /nfs/dbraw/zinc/86/86/61/947868661.db2.gz OKRBDGMSRUAYCM-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573381130 947868665 /nfs/dbraw/zinc/86/86/65/947868665.db2.gz OKRBDGMSRUAYCM-OAHLLOKOSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573381129 947869402 /nfs/dbraw/zinc/86/94/02/947869402.db2.gz OKRBDGMSRUAYCM-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573381129 947869411 /nfs/dbraw/zinc/86/94/11/947869411.db2.gz OKRBDGMSRUAYCM-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573381180 947870128 /nfs/dbraw/zinc/87/01/28/947870128.db2.gz PUOODYFHDKPHSA-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573381180 947870134 /nfs/dbraw/zinc/87/01/34/947870134.db2.gz PUOODYFHDKPHSA-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573381187 947871293 /nfs/dbraw/zinc/87/12/93/947871293.db2.gz PZZWPIVQLZYMQF-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573381187 947871300 /nfs/dbraw/zinc/87/13/00/947871300.db2.gz PZZWPIVQLZYMQF-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CCO1 ZINC001573382106 947882511 /nfs/dbraw/zinc/88/25/11/947882511.db2.gz DWBVMEBGPFBTBT-CQSZACIVSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CCO1 ZINC001573382106 947882517 /nfs/dbraw/zinc/88/25/17/947882517.db2.gz DWBVMEBGPFBTBT-CQSZACIVSA-N -1 3 387.444 0.651 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573647237 947886943 /nfs/dbraw/zinc/88/69/43/947886943.db2.gz FRQPINWBQAOVSZ-VHSKPIJISA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573647237 947886947 /nfs/dbraw/zinc/88/69/47/947886947.db2.gz FRQPINWBQAOVSZ-VHSKPIJISA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573647475 947893662 /nfs/dbraw/zinc/89/36/62/947893662.db2.gz MEPMAQBHRXYVFQ-ZWKOPEQDSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573647475 947893669 /nfs/dbraw/zinc/89/36/69/947893669.db2.gz MEPMAQBHRXYVFQ-ZWKOPEQDSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573647474 947894355 /nfs/dbraw/zinc/89/43/55/947894355.db2.gz MEPMAQBHRXYVFQ-OASPWFOLSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573647474 947894366 /nfs/dbraw/zinc/89/43/66/947894366.db2.gz MEPMAQBHRXYVFQ-OASPWFOLSA-N -1 3 375.433 0.179 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573383787 947894705 /nfs/dbraw/zinc/89/47/05/947894705.db2.gz XIZRHWYWCWHSQL-KRWDZBQOSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573383787 947894714 /nfs/dbraw/zinc/89/47/14/947894714.db2.gz XIZRHWYWCWHSQL-KRWDZBQOSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1[C@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@H]21 ZINC001573384472 947904051 /nfs/dbraw/zinc/90/40/51/947904051.db2.gz OHSAMXPRQDIHRK-YABSGUDNSA-N -1 3 375.458 0.942 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](CNc2ncccc2-c2nnn[n-]2)[C@H](C)C1)n1cncn1 ZINC001573648379 947909453 /nfs/dbraw/zinc/90/94/53/947909453.db2.gz ZCVVBXWGQZARAR-FRRDWIJNSA-N -1 3 382.432 0.621 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](CNc2ncccc2-c2nn[n-]n2)[C@H](C)C1)n1cncn1 ZINC001573648379 947909464 /nfs/dbraw/zinc/90/94/64/947909464.db2.gz ZCVVBXWGQZARAR-FRRDWIJNSA-N -1 3 382.432 0.621 20 0 GCADHM CC(=O)N(C)CC(=O)N(CCN(C)c1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573387863 947912700 /nfs/dbraw/zinc/91/27/00/947912700.db2.gz FIDSUIZOXPDUAD-UHFFFAOYSA-N -1 3 388.476 0.722 20 0 GCADHM CC(=O)N(C)CC(=O)N(CCN(C)c1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573387863 947912710 /nfs/dbraw/zinc/91/27/10/947912710.db2.gz FIDSUIZOXPDUAD-UHFFFAOYSA-N -1 3 388.476 0.722 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573650767 947914068 /nfs/dbraw/zinc/91/40/68/947914068.db2.gz DYTMNAKKZIJVAE-CQDKDKBSSA-N -1 3 379.428 0.588 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573650767 947914073 /nfs/dbraw/zinc/91/40/73/947914073.db2.gz DYTMNAKKZIJVAE-CQDKDKBSSA-N -1 3 379.428 0.588 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@]2(C)C1)n1cncn1 ZINC001573650966 947916184 /nfs/dbraw/zinc/91/61/84/947916184.db2.gz GRRDAEKODOPFPW-VFVRVIDISA-N -1 3 394.443 0.399 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@]2(C)C1)n1cncn1 ZINC001573650966 947916188 /nfs/dbraw/zinc/91/61/88/947916188.db2.gz GRRDAEKODOPFPW-VFVRVIDISA-N -1 3 394.443 0.399 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573651199 947917093 /nfs/dbraw/zinc/91/70/93/947917093.db2.gz JTMDLQHXQSKZDK-SRVKXCTJSA-N -1 3 381.400 0.078 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573651199 947917097 /nfs/dbraw/zinc/91/70/97/947917097.db2.gz JTMDLQHXQSKZDK-SRVKXCTJSA-N -1 3 381.400 0.078 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1)n1cncn1 ZINC001573651650 947922073 /nfs/dbraw/zinc/92/20/73/947922073.db2.gz NUNWFWOILRPMDS-UPJWGTAASA-N -1 3 380.416 0.009 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1)n1cncn1 ZINC001573651650 947922079 /nfs/dbraw/zinc/92/20/79/947922079.db2.gz NUNWFWOILRPMDS-UPJWGTAASA-N -1 3 380.416 0.009 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573651708 947923741 /nfs/dbraw/zinc/92/37/41/947923741.db2.gz PNFHBKDVKISZKI-CIUDSAMLSA-N -1 3 383.334 0.819 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573651708 947923746 /nfs/dbraw/zinc/92/37/46/947923746.db2.gz PNFHBKDVKISZKI-CIUDSAMLSA-N -1 3 383.334 0.819 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573651729 947924001 /nfs/dbraw/zinc/92/40/01/947924001.db2.gz PZXMDGCKUBWNNE-YZOIGVHSSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573651729 947924004 /nfs/dbraw/zinc/92/40/04/947924004.db2.gz PZXMDGCKUBWNNE-YZOIGVHSSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573651930 947926176 /nfs/dbraw/zinc/92/61/76/947926176.db2.gz QZEWJKVVZWPVGB-UGFHNGPFSA-N -1 3 392.423 0.819 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573651930 947926183 /nfs/dbraw/zinc/92/61/83/947926183.db2.gz QZEWJKVVZWPVGB-UGFHNGPFSA-N -1 3 392.423 0.819 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573389602 947926180 /nfs/dbraw/zinc/92/61/80/947926180.db2.gz UVBPOLMFMSDTGB-UHFFFAOYSA-N -1 3 375.408 0.127 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573389602 947926187 /nfs/dbraw/zinc/92/61/87/947926187.db2.gz UVBPOLMFMSDTGB-UHFFFAOYSA-N -1 3 375.408 0.127 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573390773 947931713 /nfs/dbraw/zinc/93/17/13/947931713.db2.gz CDUCLFHJPYBHQL-DOMZBBRYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573390773 947931715 /nfs/dbraw/zinc/93/17/15/947931715.db2.gz CDUCLFHJPYBHQL-DOMZBBRYSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573652303 947936008 /nfs/dbraw/zinc/93/60/08/947936008.db2.gz CDRXLJKOLISMLQ-SKDRFNHKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573652303 947936013 /nfs/dbraw/zinc/93/60/13/947936013.db2.gz CDRXLJKOLISMLQ-SKDRFNHKSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573391810 947938434 /nfs/dbraw/zinc/93/84/34/947938434.db2.gz LSCFEUQGUAMPQW-LSDHHAIUSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001573391810 947938440 /nfs/dbraw/zinc/93/84/40/947938440.db2.gz LSCFEUQGUAMPQW-LSDHHAIUSA-N -1 3 384.444 0.167 20 0 GCADHM Cc1csc2ncc(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)c(=O)n12 ZINC000826321119 947941596 /nfs/dbraw/zinc/94/15/96/947941596.db2.gz QUWQPJKQTHRMLD-UHFFFAOYSA-N -1 3 397.424 0.481 20 0 GCADHM Cc1csc2ncc(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)c(=O)n12 ZINC000826321119 947941603 /nfs/dbraw/zinc/94/16/03/947941603.db2.gz QUWQPJKQTHRMLD-UHFFFAOYSA-N -1 3 397.424 0.481 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573392242 947943690 /nfs/dbraw/zinc/94/36/90/947943690.db2.gz YHGOVTOOAQPLHE-ZDUSSCGKSA-N -1 3 389.435 0.911 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573392242 947943697 /nfs/dbraw/zinc/94/36/97/947943697.db2.gz YHGOVTOOAQPLHE-ZDUSSCGKSA-N -1 3 389.435 0.911 20 0 GCADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN[C@@H](C)c3cccnc3)CC2)o1 ZINC000826322801 947945820 /nfs/dbraw/zinc/94/58/20/947945820.db2.gz BVOHLNXPUDKXCK-LBPRGKRZSA-N -1 3 397.443 0.558 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573392362 947945887 /nfs/dbraw/zinc/94/58/87/947945887.db2.gz ACYLOGKJVFCZNA-IUODEOHRSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573392362 947945892 /nfs/dbraw/zinc/94/58/92/947945892.db2.gz ACYLOGKJVFCZNA-IUODEOHRSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1C ZINC001573392428 947946374 /nfs/dbraw/zinc/94/63/74/947946374.db2.gz AUYHLVPQOFXJQG-JSGCOSHPSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1C ZINC001573392428 947946380 /nfs/dbraw/zinc/94/63/80/947946380.db2.gz AUYHLVPQOFXJQG-JSGCOSHPSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573392369 947946827 /nfs/dbraw/zinc/94/68/27/947946827.db2.gz ACYLOGKJVFCZNA-WFASDCNBSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573392369 947946839 /nfs/dbraw/zinc/94/68/39/947946839.db2.gz ACYLOGKJVFCZNA-WFASDCNBSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573392385 947946997 /nfs/dbraw/zinc/94/69/97/947946997.db2.gz AGRXOYROTZGFCO-UHFFFAOYSA-N -1 3 376.396 0.282 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573392385 947947003 /nfs/dbraw/zinc/94/70/03/947947003.db2.gz AGRXOYROTZGFCO-UHFFFAOYSA-N -1 3 376.396 0.282 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573392359 947947237 /nfs/dbraw/zinc/94/72/37/947947237.db2.gz ACYLOGKJVFCZNA-DOMZBBRYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573392359 947947247 /nfs/dbraw/zinc/94/72/47/947947247.db2.gz ACYLOGKJVFCZNA-DOMZBBRYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001573392448 947948725 /nfs/dbraw/zinc/94/87/25/947948725.db2.gz AYEBUPOMGTYZJC-HIFRSBDPSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001573392448 947948728 /nfs/dbraw/zinc/94/87/28/947948728.db2.gz AYEBUPOMGTYZJC-HIFRSBDPSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573392868 947952344 /nfs/dbraw/zinc/95/23/44/947952344.db2.gz GXENOYJWTXDAGV-CQSZACIVSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573392868 947952350 /nfs/dbraw/zinc/95/23/50/947952350.db2.gz GXENOYJWTXDAGV-CQSZACIVSA-N -1 3 386.460 0.781 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000826326028 947952493 /nfs/dbraw/zinc/95/24/93/947952493.db2.gz WDQYOBUBNKAQDD-HOCLYGCPSA-N -1 3 398.427 0.324 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000826326028 947952496 /nfs/dbraw/zinc/95/24/96/947952496.db2.gz WDQYOBUBNKAQDD-HOCLYGCPSA-N -1 3 398.427 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573392906 947952619 /nfs/dbraw/zinc/95/26/19/947952619.db2.gz ICSJYLQBQHONLM-GFCCVEGCSA-N -1 3 390.423 0.164 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573392906 947952632 /nfs/dbraw/zinc/95/26/32/947952632.db2.gz ICSJYLQBQHONLM-GFCCVEGCSA-N -1 3 390.423 0.164 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573393011 947953406 /nfs/dbraw/zinc/95/34/06/947953406.db2.gz IDRFSKHBOHQLEE-GFCCVEGCSA-N -1 3 390.423 0.530 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573393011 947953416 /nfs/dbraw/zinc/95/34/16/947953416.db2.gz IDRFSKHBOHQLEE-GFCCVEGCSA-N -1 3 390.423 0.530 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573653288 947956036 /nfs/dbraw/zinc/95/60/36/947956036.db2.gz KJHHZUZBHXTFQL-ADLMAVQZSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573653356 947956262 /nfs/dbraw/zinc/95/62/62/947956262.db2.gz KWPHTGWMWIVQQW-NSHDSACASA-N -1 3 376.465 0.502 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573653356 947956275 /nfs/dbraw/zinc/95/62/75/947956275.db2.gz KWPHTGWMWIVQQW-NSHDSACASA-N -1 3 376.465 0.502 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573393429 947956577 /nfs/dbraw/zinc/95/65/77/947956577.db2.gz MKLGSFFITLRZCP-UHFFFAOYSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573393429 947956584 /nfs/dbraw/zinc/95/65/84/947956584.db2.gz MKLGSFFITLRZCP-UHFFFAOYSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573393614 947958395 /nfs/dbraw/zinc/95/83/95/947958395.db2.gz OFGXCIGPACTQRA-OKILXGFUSA-N -1 3 384.444 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573393614 947958402 /nfs/dbraw/zinc/95/84/02/947958402.db2.gz OFGXCIGPACTQRA-OKILXGFUSA-N -1 3 384.444 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573393558 947958420 /nfs/dbraw/zinc/95/84/20/947958420.db2.gz NIDPRBWKLFICOV-LLVKDONJSA-N -1 3 378.462 0.370 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573393740 947960430 /nfs/dbraw/zinc/96/04/30/947960430.db2.gz PMUFDVARYPVZII-LBPRGKRZSA-N -1 3 392.489 0.760 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573393955 947960599 /nfs/dbraw/zinc/96/05/99/947960599.db2.gz RGEFGCMXYWOTHL-CABZTGNLSA-N -1 3 392.489 0.759 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1C ZINC001573394048 947962483 /nfs/dbraw/zinc/96/24/83/947962483.db2.gz SBRWATRMUNQXSJ-RISCZKNCSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1C ZINC001573394048 947962485 /nfs/dbraw/zinc/96/24/85/947962485.db2.gz SBRWATRMUNQXSJ-RISCZKNCSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)[C@H]1C ZINC001573394401 947964365 /nfs/dbraw/zinc/96/43/65/947964365.db2.gz SXTFNBKGUGMQEU-KOLCDFICSA-N -1 3 378.462 0.511 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573394676 947965759 /nfs/dbraw/zinc/96/57/59/947965759.db2.gz UUGSZRPJGAFWQP-AWEZNQCLSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573394676 947965769 /nfs/dbraw/zinc/96/57/69/947965769.db2.gz UUGSZRPJGAFWQP-AWEZNQCLSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573395622 947970801 /nfs/dbraw/zinc/97/08/01/947970801.db2.gz ZHADZLWPZFTQSW-LBPRGKRZSA-N -1 3 375.408 0.521 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573395622 947970808 /nfs/dbraw/zinc/97/08/08/947970808.db2.gz ZHADZLWPZFTQSW-LBPRGKRZSA-N -1 3 375.408 0.521 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001573397518 947971869 /nfs/dbraw/zinc/97/18/69/947971869.db2.gz BEPQDBZTNPKXIV-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001573397518 947971875 /nfs/dbraw/zinc/97/18/75/947971875.db2.gz BEPQDBZTNPKXIV-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@@H](C(=O)N[C@@](C)(CNc1ncccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573654855 947972170 /nfs/dbraw/zinc/97/21/70/947972170.db2.gz UEJBPLHWCZHKFO-GTNSWQLSSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](C(=O)N[C@@](C)(CNc1ncccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573654855 947972178 /nfs/dbraw/zinc/97/21/78/947972178.db2.gz UEJBPLHWCZHKFO-GTNSWQLSSA-N -1 3 382.432 0.811 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573397512 947972895 /nfs/dbraw/zinc/97/28/95/947972895.db2.gz BEGOOWYVHYOFSS-ZDUSSCGKSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573397512 947972904 /nfs/dbraw/zinc/97/29/04/947972904.db2.gz BEGOOWYVHYOFSS-ZDUSSCGKSA-N -1 3 376.396 0.186 20 0 GCADHM Cc1nnc2n1CCN([C@H]1CCCN(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000826337144 947973156 /nfs/dbraw/zinc/97/31/56/947973156.db2.gz DIYSOIBHIDRMJH-HNNXBMFYSA-N -1 3 379.428 0.778 20 0 GCADHM Cc1nnc2n1CCN([C@H]1CCCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000826337144 947973165 /nfs/dbraw/zinc/97/31/65/947973165.db2.gz DIYSOIBHIDRMJH-HNNXBMFYSA-N -1 3 379.428 0.778 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573655245 947977176 /nfs/dbraw/zinc/97/71/76/947977176.db2.gz WRDMIDTWVRFOPL-AAEUAGOBSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573655245 947977185 /nfs/dbraw/zinc/97/71/85/947977185.db2.gz WRDMIDTWVRFOPL-AAEUAGOBSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573655755 947979054 /nfs/dbraw/zinc/97/90/54/947979054.db2.gz YSEQKOZSPGLQOO-MFKMUULPSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573655755 947979061 /nfs/dbraw/zinc/97/90/61/947979061.db2.gz YSEQKOZSPGLQOO-MFKMUULPSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573398345 947980378 /nfs/dbraw/zinc/98/03/78/947980378.db2.gz KBVOTOJQHHVVIY-UHFFFAOYSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573398345 947980383 /nfs/dbraw/zinc/98/03/83/947980383.db2.gz KBVOTOJQHHVVIY-UHFFFAOYSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC12CCN(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573398398 947982157 /nfs/dbraw/zinc/98/21/57/947982157.db2.gz KZBCODWEJPZHIX-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC12CCN(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573398398 947982171 /nfs/dbraw/zinc/98/21/71/947982171.db2.gz KZBCODWEJPZHIX-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573655967 947983448 /nfs/dbraw/zinc/98/34/48/947983448.db2.gz AJKIXBDOUFPKEB-SJKOYZFVSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573398573 947984057 /nfs/dbraw/zinc/98/40/57/947984057.db2.gz NITVGFSKYPBISR-NSHDSACASA-N -1 3 389.435 0.421 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573655977 947984461 /nfs/dbraw/zinc/98/44/61/947984461.db2.gz ASNDGZAMJHBECZ-APPDUMDISA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573655977 947984470 /nfs/dbraw/zinc/98/44/70/947984470.db2.gz ASNDGZAMJHBECZ-APPDUMDISA-N -1 3 385.407 0.944 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573399841 947996493 /nfs/dbraw/zinc/99/64/93/947996493.db2.gz ZLAFFPFHHRMCQO-NSHDSACASA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573401784 947998331 /nfs/dbraw/zinc/99/83/31/947998331.db2.gz CQWNKLWAYNJCCP-BXUZGUMPSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573401784 947998337 /nfs/dbraw/zinc/99/83/37/947998337.db2.gz CQWNKLWAYNJCCP-BXUZGUMPSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573401822 948000214 /nfs/dbraw/zinc/00/02/14/948000214.db2.gz DBCMXMZTBJKCBL-DZGCQCFKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573401822 948000220 /nfs/dbraw/zinc/00/02/20/948000220.db2.gz DBCMXMZTBJKCBL-DZGCQCFKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573402370 948002447 /nfs/dbraw/zinc/00/24/47/948002447.db2.gz GDRNUSQJGGNSPH-JOYOIKCWSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@]1(C)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573402475 948004000 /nfs/dbraw/zinc/00/40/00/948004000.db2.gz HANVISKMAALRON-GOSISDBHSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@]1(C)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573402475 948004010 /nfs/dbraw/zinc/00/40/10/948004010.db2.gz HANVISKMAALRON-GOSISDBHSA-N -1 3 386.460 0.463 20 0 GCADHM Cc1onc(CC(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1-c1nnn[n-]1 ZINC000826344257 948004912 /nfs/dbraw/zinc/00/49/12/948004912.db2.gz BQQZYAWEWHYWJV-UHFFFAOYSA-N -1 3 385.432 0.174 20 0 GCADHM Cc1onc(CC(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1-c1nn[n-]n1 ZINC000826344257 948004927 /nfs/dbraw/zinc/00/49/27/948004927.db2.gz BQQZYAWEWHYWJV-UHFFFAOYSA-N -1 3 385.432 0.174 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC001573404095 948015662 /nfs/dbraw/zinc/01/56/62/948015662.db2.gz PTTFOWGMTDOGIQ-FZMZJTMJSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC001573404095 948015668 /nfs/dbraw/zinc/01/56/68/948015668.db2.gz PTTFOWGMTDOGIQ-FZMZJTMJSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)[C@H]1C ZINC001573404082 948015913 /nfs/dbraw/zinc/01/59/13/948015913.db2.gz PPGDQBAHYIEDSH-SWLSCSKDSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)[C@H]1C ZINC001573404082 948015920 /nfs/dbraw/zinc/01/59/20/948015920.db2.gz PPGDQBAHYIEDSH-SWLSCSKDSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)[C@H]1CCCO1 ZINC001573659618 948015989 /nfs/dbraw/zinc/01/59/89/948015989.db2.gz WVMXNXCFGSHPKS-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)[C@H]1CCCO1 ZINC001573659618 948015999 /nfs/dbraw/zinc/01/59/99/948015999.db2.gz WVMXNXCFGSHPKS-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573659595 948016040 /nfs/dbraw/zinc/01/60/40/948016040.db2.gz WUGAZBIDCITBHQ-KZULUSFZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573659595 948016050 /nfs/dbraw/zinc/01/60/50/948016050.db2.gz WUGAZBIDCITBHQ-KZULUSFZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573659614 948016241 /nfs/dbraw/zinc/01/62/41/948016241.db2.gz WVMXNXCFGSHPKS-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573659614 948016246 /nfs/dbraw/zinc/01/62/46/948016246.db2.gz WVMXNXCFGSHPKS-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573404120 948016436 /nfs/dbraw/zinc/01/64/36/948016436.db2.gz QBVBGYVHIFAVPY-CHWSQXEVSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573404120 948016445 /nfs/dbraw/zinc/01/64/45/948016445.db2.gz QBVBGYVHIFAVPY-CHWSQXEVSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573404163 948017651 /nfs/dbraw/zinc/01/76/51/948017651.db2.gz QWLPESKSYUDZJQ-GFCCVEGCSA-N -1 3 392.489 0.585 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)[C@H]1C ZINC001573404351 948021971 /nfs/dbraw/zinc/02/19/71/948021971.db2.gz SIOLFWZRKPKXOG-CMPLNLGQSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404532 948026083 /nfs/dbraw/zinc/02/60/83/948026083.db2.gz UGSNLGHFINMYFM-RYUDHWBXSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H]1C ZINC001573404587 948029671 /nfs/dbraw/zinc/02/96/71/948029671.db2.gz VHQWESHOINJSDH-QMTHXVAHSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H]1C ZINC001573404587 948029678 /nfs/dbraw/zinc/02/96/78/948029678.db2.gz VHQWESHOINJSDH-QMTHXVAHSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573404972 948036423 /nfs/dbraw/zinc/03/64/23/948036423.db2.gz MLRCPQNNEHJWAX-ZDUSSCGKSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573404972 948036433 /nfs/dbraw/zinc/03/64/33/948036433.db2.gz MLRCPQNNEHJWAX-ZDUSSCGKSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573405223 948039077 /nfs/dbraw/zinc/03/90/77/948039077.db2.gz ZZWMIXIHYQWQCF-NEPJUHHUSA-N -1 3 392.489 0.807 20 0 GCADHM Cc1onc(CC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826346463 948039905 /nfs/dbraw/zinc/03/99/05/948039905.db2.gz NGGNDGKLKRSESW-GHMZBOCLSA-N -1 3 377.449 0.710 20 0 GCADHM Cc1onc(CC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826346463 948039912 /nfs/dbraw/zinc/03/99/12/948039912.db2.gz NGGNDGKLKRSESW-GHMZBOCLSA-N -1 3 377.449 0.710 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001573405255 948040243 /nfs/dbraw/zinc/04/02/43/948040243.db2.gz NNWSUJXJRZWNRP-LBPRGKRZSA-N -1 3 392.489 0.585 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1ncccc1-c1nnn[n-]1 ZINC001573405441 948041360 /nfs/dbraw/zinc/04/13/60/948041360.db2.gz QITARHMTUPEZDL-CQSZACIVSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573405441 948041367 /nfs/dbraw/zinc/04/13/67/948041367.db2.gz QITARHMTUPEZDL-CQSZACIVSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573405421 948042317 /nfs/dbraw/zinc/04/23/17/948042317.db2.gz QEDDIUBHKURELD-UHFFFAOYSA-N -1 3 392.489 0.443 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573663796 948042413 /nfs/dbraw/zinc/04/24/13/948042413.db2.gz ADUOUHXCBMAQMI-GFCCVEGCSA-N -1 3 388.476 0.646 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573405780 948047532 /nfs/dbraw/zinc/04/75/32/948047532.db2.gz WWWFGTAVEIVSDF-ZDUSSCGKSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573405780 948047536 /nfs/dbraw/zinc/04/75/36/948047536.db2.gz WWWFGTAVEIVSDF-ZDUSSCGKSA-N -1 3 389.435 0.817 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573664106 948048412 /nfs/dbraw/zinc/04/84/12/948048412.db2.gz BWKWWDKFXYOYAU-DGCLKSJQSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573664106 948048421 /nfs/dbraw/zinc/04/84/21/948048421.db2.gz BWKWWDKFXYOYAU-DGCLKSJQSA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573405885 948048350 /nfs/dbraw/zinc/04/83/50/948048350.db2.gz YBMUJXCKFJGUIJ-LLVKDONJSA-N -1 3 392.851 0.336 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573405885 948048358 /nfs/dbraw/zinc/04/83/58/948048358.db2.gz YBMUJXCKFJGUIJ-LLVKDONJSA-N -1 3 392.851 0.336 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573664272 948050791 /nfs/dbraw/zinc/05/07/91/948050791.db2.gz SUNFNRSRWHHJMO-HONMWMINSA-N -1 3 384.444 0.151 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573664272 948050802 /nfs/dbraw/zinc/05/08/02/948050802.db2.gz SUNFNRSRWHHJMO-HONMWMINSA-N -1 3 384.444 0.151 20 0 GCADHM Cc1onc(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1-c1nnn[n-]1 ZINC000826347268 948051173 /nfs/dbraw/zinc/05/11/73/948051173.db2.gz LEAVEYSHLJAUPE-HNNXBMFYSA-N -1 3 397.439 0.723 20 0 GCADHM Cc1onc(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c1-c1nn[n-]n1 ZINC000826347268 948051180 /nfs/dbraw/zinc/05/11/80/948051180.db2.gz LEAVEYSHLJAUPE-HNNXBMFYSA-N -1 3 397.439 0.723 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573664215 948051205 /nfs/dbraw/zinc/05/12/05/948051205.db2.gz CYZGOGORTRHKEI-NEPJUHHUSA-N -1 3 387.473 0.862 20 0 GCADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573664349 948052976 /nfs/dbraw/zinc/05/29/76/948052976.db2.gz UCAFAKQLQIILNG-UNXYVOJBSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573664349 948052984 /nfs/dbraw/zinc/05/29/84/948052984.db2.gz UCAFAKQLQIILNG-UNXYVOJBSA-N -1 3 383.416 0.372 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1C ZINC001573406568 948055495 /nfs/dbraw/zinc/05/54/95/948055495.db2.gz LBHOPVVAMAFNNI-NOZJJQNGSA-N -1 3 392.851 0.334 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1C ZINC001573406568 948055507 /nfs/dbraw/zinc/05/55/07/948055507.db2.gz LBHOPVVAMAFNNI-NOZJJQNGSA-N -1 3 392.851 0.334 20 0 GCADHM C[C@@H](C(=O)N[C@]1(CO)CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1CC1 ZINC001573664599 948058428 /nfs/dbraw/zinc/05/84/28/948058428.db2.gz VSTXRYGBBNFYMQ-ADLMAVQZSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@@H](C(=O)N[C@]1(CO)CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1CC1 ZINC001573664599 948058441 /nfs/dbraw/zinc/05/84/41/948058441.db2.gz VSTXRYGBBNFYMQ-ADLMAVQZSA-N -1 3 389.435 0.894 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C ZINC001573406742 948058804 /nfs/dbraw/zinc/05/88/04/948058804.db2.gz PWGCCIMPVNUNAX-IUODEOHRSA-N -1 3 386.460 0.319 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C ZINC001573406742 948058816 /nfs/dbraw/zinc/05/88/16/948058816.db2.gz PWGCCIMPVNUNAX-IUODEOHRSA-N -1 3 386.460 0.319 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1C ZINC001573406958 948059552 /nfs/dbraw/zinc/05/95/52/948059552.db2.gz XLYKMJNWMBXUCE-BXUZGUMPSA-N -1 3 386.460 0.237 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1C ZINC001573406958 948059558 /nfs/dbraw/zinc/05/95/58/948059558.db2.gz XLYKMJNWMBXUCE-BXUZGUMPSA-N -1 3 386.460 0.237 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573664702 948060478 /nfs/dbraw/zinc/06/04/78/948060478.db2.gz GJFPGJRRVAMLPC-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573664702 948060483 /nfs/dbraw/zinc/06/04/83/948060483.db2.gz GJFPGJRRVAMLPC-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573665512 948074252 /nfs/dbraw/zinc/07/42/52/948074252.db2.gz LWVOTOWYZDCCJS-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573665512 948074263 /nfs/dbraw/zinc/07/42/63/948074263.db2.gz LWVOTOWYZDCCJS-SMDDNHRTSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573665716 948075497 /nfs/dbraw/zinc/07/54/97/948075497.db2.gz MGZKTYLMXGYYOC-FZMZJTMJSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573665714 948075936 /nfs/dbraw/zinc/07/59/36/948075936.db2.gz MGZKTYLMXGYYOC-BXUZGUMPSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573665795 948076492 /nfs/dbraw/zinc/07/64/92/948076492.db2.gz NFIFRLYSNQCLIN-LLVKDONJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573665795 948076502 /nfs/dbraw/zinc/07/65/02/948076502.db2.gz NFIFRLYSNQCLIN-LLVKDONJSA-N -1 3 386.460 0.304 20 0 GCADHM CC(=O)N(C)CCCC(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573409860 948076744 /nfs/dbraw/zinc/07/67/44/948076744.db2.gz XMOFUGYULIXGKO-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CCCC(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573409860 948076752 /nfs/dbraw/zinc/07/67/52/948076752.db2.gz XMOFUGYULIXGKO-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573410001 948077999 /nfs/dbraw/zinc/07/79/99/948077999.db2.gz ZNFFDRSWLYWTIA-XYPYZODXSA-N -1 3 378.462 0.417 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@H]2C)C1 ZINC001573413363 948079380 /nfs/dbraw/zinc/07/93/80/948079380.db2.gz CPCWJBIKMHFUPM-IAQYHMDHSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@H]2C)C1 ZINC001573413363 948079389 /nfs/dbraw/zinc/07/93/89/948079389.db2.gz CPCWJBIKMHFUPM-IAQYHMDHSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573413386 948082169 /nfs/dbraw/zinc/08/21/69/948082169.db2.gz CUKVRTKUAOHZHZ-CYBMUJFWSA-N -1 3 388.407 0.282 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573413386 948082176 /nfs/dbraw/zinc/08/21/76/948082176.db2.gz CUKVRTKUAOHZHZ-CYBMUJFWSA-N -1 3 388.407 0.282 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573666215 948083235 /nfs/dbraw/zinc/08/32/35/948083235.db2.gz QYJCUQGCMXYBRM-LLVKDONJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573666215 948083242 /nfs/dbraw/zinc/08/32/42/948083242.db2.gz QYJCUQGCMXYBRM-LLVKDONJSA-N -1 3 386.460 0.304 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573413635 948084244 /nfs/dbraw/zinc/08/42/44/948084244.db2.gz DWDWQPSYICLKIE-HNNXBMFYSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573413635 948084253 /nfs/dbraw/zinc/08/42/53/948084253.db2.gz DWDWQPSYICLKIE-HNNXBMFYSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573414160 948091564 /nfs/dbraw/zinc/09/15/64/948091564.db2.gz KFJWITLDMIMLBO-CQSZACIVSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573414160 948091574 /nfs/dbraw/zinc/09/15/74/948091574.db2.gz KFJWITLDMIMLBO-CQSZACIVSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573666800 948091793 /nfs/dbraw/zinc/09/17/93/948091793.db2.gz WGCASVMDDYGVIQ-SWLSCSKDSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573667085 948094496 /nfs/dbraw/zinc/09/44/96/948094496.db2.gz XVCLFIBCDXSETB-AAEUAGOBSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573667085 948094508 /nfs/dbraw/zinc/09/45/08/948094508.db2.gz XVCLFIBCDXSETB-AAEUAGOBSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573667087 948095111 /nfs/dbraw/zinc/09/51/11/948095111.db2.gz XVCLFIBCDXSETB-DGCLKSJQSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573667087 948095123 /nfs/dbraw/zinc/09/51/23/948095123.db2.gz XVCLFIBCDXSETB-DGCLKSJQSA-N -1 3 380.412 0.724 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573414545 948095857 /nfs/dbraw/zinc/09/58/57/948095857.db2.gz OBEURVRPFRMLTQ-RISCZKNCSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001573414545 948095869 /nfs/dbraw/zinc/09/58/69/948095869.db2.gz OBEURVRPFRMLTQ-RISCZKNCSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573666880 948095881 /nfs/dbraw/zinc/09/58/81/948095881.db2.gz XGJCNFAEIUNMHN-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573666880 948095891 /nfs/dbraw/zinc/09/58/91/948095891.db2.gz XGJCNFAEIUNMHN-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM 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ZINC000826361363 948130884 /nfs/dbraw/zinc/13/08/84/948130884.db2.gz URGAUQCQFIENBK-UHFFFAOYSA-N -1 3 398.431 0.580 20 0 GCADHM Cn1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)nn1 ZINC000826361600 948132203 /nfs/dbraw/zinc/13/22/03/948132203.db2.gz FIHRZKKSSBZXAF-UHFFFAOYSA-N -1 3 388.335 0.493 20 0 GCADHM Cn1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)nn1 ZINC000826361600 948132207 /nfs/dbraw/zinc/13/22/07/948132207.db2.gz FIHRZKKSSBZXAF-UHFFFAOYSA-N -1 3 388.335 0.493 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573419990 948132884 /nfs/dbraw/zinc/13/28/84/948132884.db2.gz XTUDQYCVMFHSDY-UWVGGRQHSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573419990 948132888 /nfs/dbraw/zinc/13/28/88/948132888.db2.gz XTUDQYCVMFHSDY-UWVGGRQHSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573419957 948133092 /nfs/dbraw/zinc/13/30/92/948133092.db2.gz WPPIYWXGSIKFIC-KBPBESRZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573419957 948133095 /nfs/dbraw/zinc/13/30/95/948133095.db2.gz WPPIYWXGSIKFIC-KBPBESRZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)C1 ZINC001573419944 948133353 /nfs/dbraw/zinc/13/33/53/948133353.db2.gz WFXZISASIIMJCF-UHFFFAOYSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)C1 ZINC001573419944 948133360 /nfs/dbraw/zinc/13/33/60/948133360.db2.gz WFXZISASIIMJCF-UHFFFAOYSA-N -1 3 384.444 0.133 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573677348 948134597 /nfs/dbraw/zinc/13/45/97/948134597.db2.gz CQCVIYAFGSIJLD-BXKDBHETSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573677348 948134601 /nfs/dbraw/zinc/13/46/01/948134601.db2.gz CQCVIYAFGSIJLD-BXKDBHETSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573677351 948134679 /nfs/dbraw/zinc/13/46/79/948134679.db2.gz CQCVIYAFGSIJLD-SKDRFNHKSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573677351 948134685 /nfs/dbraw/zinc/13/46/85/948134685.db2.gz CQCVIYAFGSIJLD-SKDRFNHKSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573677422 948136094 /nfs/dbraw/zinc/13/60/94/948136094.db2.gz AHSMUIFSEGOXLY-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573677422 948136097 /nfs/dbraw/zinc/13/60/97/948136097.db2.gz AHSMUIFSEGOXLY-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573677421 948136304 /nfs/dbraw/zinc/13/63/04/948136304.db2.gz AHSMUIFSEGOXLY-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573677421 948136310 /nfs/dbraw/zinc/13/63/10/948136310.db2.gz AHSMUIFSEGOXLY-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM CC(=O)N1CC(C(=O)NCCN(c2snc(C)c2-c2nnn[n-]2)C2CC2)C1 ZINC001573421452 948137540 /nfs/dbraw/zinc/13/75/40/948137540.db2.gz GAKKAWVILKSYFG-UHFFFAOYSA-N -1 3 390.473 0.195 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN2Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573421705 948139883 /nfs/dbraw/zinc/13/98/83/948139883.db2.gz HXCQNRFFMLDDCP-HNNXBMFYSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN2Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573421705 948139890 /nfs/dbraw/zinc/13/98/90/948139890.db2.gz HXCQNRFFMLDDCP-HNNXBMFYSA-N -1 3 387.419 0.175 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826364157 948139896 /nfs/dbraw/zinc/13/98/96/948139896.db2.gz MSGVQZCGXGFTQQ-OAHLLOKOSA-N -1 3 394.439 0.450 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826364157 948139903 /nfs/dbraw/zinc/13/99/03/948139903.db2.gz MSGVQZCGXGFTQQ-OAHLLOKOSA-N -1 3 394.439 0.450 20 0 GCADHM Cn1ccnc1[C@H]1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826364093 948140643 /nfs/dbraw/zinc/14/06/43/948140643.db2.gz KVLDCYUFAQRYKY-ZDUSSCGKSA-N -1 3 382.432 0.606 20 0 GCADHM Cn1ccnc1[C@H]1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826364093 948140646 /nfs/dbraw/zinc/14/06/46/948140646.db2.gz KVLDCYUFAQRYKY-ZDUSSCGKSA-N -1 3 382.432 0.606 20 0 GCADHM Cn1cnn(CC(=O)N(Cc2ccco2)c2ccccc2-c2nnn[n-]2)c1=O ZINC000826365069 948142605 /nfs/dbraw/zinc/14/26/05/948142605.db2.gz ACIPSILQCQZFNM-UHFFFAOYSA-N -1 3 380.368 0.588 20 0 GCADHM Cn1cnn(CC(=O)N(Cc2ccco2)c2ccccc2-c2nn[n-]n2)c1=O ZINC000826365069 948142608 /nfs/dbraw/zinc/14/26/08/948142608.db2.gz ACIPSILQCQZFNM-UHFFFAOYSA-N -1 3 380.368 0.588 20 0 GCADHM Cn1cnn(CC(=O)N(Cc2ccccc2)c2ccccc2-c2nnn[n-]2)c1=O ZINC000826365296 948143455 /nfs/dbraw/zinc/14/34/55/948143455.db2.gz IIJVVQOKQXSHQT-UHFFFAOYSA-N -1 3 390.407 0.995 20 0 GCADHM Cn1cnn(CC(=O)N(Cc2ccccc2)c2ccccc2-c2nn[n-]n2)c1=O ZINC000826365296 948143465 /nfs/dbraw/zinc/14/34/65/948143465.db2.gz IIJVVQOKQXSHQT-UHFFFAOYSA-N -1 3 390.407 0.995 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573677948 948143757 /nfs/dbraw/zinc/14/37/57/948143757.db2.gz BOGCEJBCVIKLHG-CMPLNLGQSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573677948 948143763 /nfs/dbraw/zinc/14/37/63/948143763.db2.gz BOGCEJBCVIKLHG-CMPLNLGQSA-N -1 3 377.449 0.426 20 0 GCADHM Cn1cnn(CC(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)c1=O ZINC000826365662 948143813 /nfs/dbraw/zinc/14/38/13/948143813.db2.gz XLVXIBJCSOGHCX-UHFFFAOYSA-N -1 3 383.397 0.524 20 0 GCADHM Cn1cnn(CC(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)c1=O ZINC000826365662 948143822 /nfs/dbraw/zinc/14/38/22/948143822.db2.gz XLVXIBJCSOGHCX-UHFFFAOYSA-N -1 3 383.397 0.524 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CCCC2)C1 ZINC001573423100 948144530 /nfs/dbraw/zinc/14/45/30/948144530.db2.gz NUQPWZUWYBSDGF-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CCCC2)C1 ZINC001573423100 948144538 /nfs/dbraw/zinc/14/45/38/948144538.db2.gz NUQPWZUWYBSDGF-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccc1 ZINC001573678426 948150474 /nfs/dbraw/zinc/15/04/74/948150474.db2.gz DRYSFNGDIBFWEF-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccc1 ZINC001573678426 948150479 /nfs/dbraw/zinc/15/04/79/948150479.db2.gz DRYSFNGDIBFWEF-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccc1 ZINC001573678425 948150585 /nfs/dbraw/zinc/15/05/85/948150585.db2.gz DRYSFNGDIBFWEF-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccc1 ZINC001573678425 948150591 /nfs/dbraw/zinc/15/05/91/948150591.db2.gz DRYSFNGDIBFWEF-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N1CC2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)[C@H]2COC[C@H]21 ZINC001573425639 948150852 /nfs/dbraw/zinc/15/08/52/948150852.db2.gz ACPPDIIAMGMGBU-DZGCQCFKSA-N -1 3 385.428 0.294 20 0 GCADHM CC(=O)N1CC2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)[C@H]2COC[C@H]21 ZINC001573425639 948150858 /nfs/dbraw/zinc/15/08/58/948150858.db2.gz ACPPDIIAMGMGBU-DZGCQCFKSA-N -1 3 385.428 0.294 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C2CC2)C1 ZINC001573424389 948151208 /nfs/dbraw/zinc/15/12/08/948151208.db2.gz ZOAULPYCXOHGRD-OAHLLOKOSA-N -1 3 387.419 0.791 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001573424389 948151214 /nfs/dbraw/zinc/15/12/14/948151214.db2.gz ZOAULPYCXOHGRD-OAHLLOKOSA-N -1 3 387.419 0.791 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573679593 948164513 /nfs/dbraw/zinc/16/45/13/948164513.db2.gz LGFCFHQJZQVBTP-BONVTDFDSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573679593 948164520 /nfs/dbraw/zinc/16/45/20/948164520.db2.gz LGFCFHQJZQVBTP-BONVTDFDSA-N -1 3 387.419 0.221 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CN(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573429359 948170348 /nfs/dbraw/zinc/17/03/48/948170348.db2.gz HJACWITZWQXYSD-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CN(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573429359 948170353 /nfs/dbraw/zinc/17/03/53/948170353.db2.gz HJACWITZWQXYSD-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573429372 948171740 /nfs/dbraw/zinc/17/17/40/948171740.db2.gz HRNYSBOGABLISA-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573429372 948171746 /nfs/dbraw/zinc/17/17/46/948171746.db2.gz HRNYSBOGABLISA-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)CCN(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573429652 948173081 /nfs/dbraw/zinc/17/30/81/948173081.db2.gz JQUJDKAIHKQCAX-UHFFFAOYSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)CCN(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573429652 948173088 /nfs/dbraw/zinc/17/30/88/948173088.db2.gz JQUJDKAIHKQCAX-UHFFFAOYSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573430118 948175861 /nfs/dbraw/zinc/17/58/61/948175861.db2.gz ODGIQYVXWXADTC-VIFPVBQESA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573431001 948177308 /nfs/dbraw/zinc/17/73/08/948177308.db2.gz TYSIIYMBKQLVHQ-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573431001 948177315 /nfs/dbraw/zinc/17/73/15/948177315.db2.gz TYSIIYMBKQLVHQ-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl)n1cccn1 ZINC001573680650 948184779 /nfs/dbraw/zinc/18/47/79/948184779.db2.gz PBZRORKNRZMGJS-MWLCHTKSSA-N -1 3 391.823 0.262 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl)n1cccn1 ZINC001573680650 948184782 /nfs/dbraw/zinc/18/47/82/948184782.db2.gz PBZRORKNRZMGJS-MWLCHTKSSA-N -1 3 391.823 0.262 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432438 948187085 /nfs/dbraw/zinc/18/70/85/948187085.db2.gz FQFVFWJDGQWDSD-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432438 948187093 /nfs/dbraw/zinc/18/70/93/948187093.db2.gz FQFVFWJDGQWDSD-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573432590 948189654 /nfs/dbraw/zinc/18/96/54/948189654.db2.gz HDFMIJDKFPFJLL-XIKOKIGWSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573432590 948189660 /nfs/dbraw/zinc/18/96/60/948189660.db2.gz HDFMIJDKFPFJLL-XIKOKIGWSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC001573681055 948193397 /nfs/dbraw/zinc/19/33/97/948193397.db2.gz SCCUTOBBBXMUOF-KOLCDFICSA-N -1 3 375.364 0.687 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC001573681055 948193402 /nfs/dbraw/zinc/19/34/02/948193402.db2.gz SCCUTOBBBXMUOF-KOLCDFICSA-N -1 3 375.364 0.687 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC001573681056 948194097 /nfs/dbraw/zinc/19/40/97/948194097.db2.gz SCCUTOBBBXMUOF-MWLCHTKSSA-N -1 3 375.364 0.687 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC001573681056 948194101 /nfs/dbraw/zinc/19/41/01/948194101.db2.gz SCCUTOBBBXMUOF-MWLCHTKSSA-N -1 3 375.364 0.687 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573433390 948199735 /nfs/dbraw/zinc/19/97/35/948199735.db2.gz KNIDQPUOQWMDEB-KZULUSFZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573433390 948199740 /nfs/dbraw/zinc/19/97/40/948199740.db2.gz KNIDQPUOQWMDEB-KZULUSFZSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573681277 948200038 /nfs/dbraw/zinc/20/00/38/948200038.db2.gz UELLDQWJOPJOPB-XPUUQOCRSA-N -1 3 377.302 0.488 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573681277 948200045 /nfs/dbraw/zinc/20/00/45/948200045.db2.gz UELLDQWJOPJOPB-XPUUQOCRSA-N -1 3 377.302 0.488 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573433281 948200152 /nfs/dbraw/zinc/20/01/52/948200152.db2.gz JZBSFDHEMMALCC-XXFAHNHDSA-N -1 3 392.489 0.807 20 0 GCADHM NC(=O)c1cc(Cl)nnc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826392627 948200470 /nfs/dbraw/zinc/20/04/70/948200470.db2.gz GGNSBBVIOPKLPI-GFCCVEGCSA-N -1 3 386.803 0.987 20 0 GCADHM NC(=O)c1cc(Cl)nnc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826392627 948200472 /nfs/dbraw/zinc/20/04/72/948200472.db2.gz GGNSBBVIOPKLPI-GFCCVEGCSA-N -1 3 386.803 0.987 20 0 GCADHM NC(=O)NCCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826392912 948201744 /nfs/dbraw/zinc/20/17/44/948201744.db2.gz SSRZTYOZAQKNPA-UHFFFAOYSA-N -1 3 375.780 0.703 20 0 GCADHM NC(=O)NCCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826392912 948201755 /nfs/dbraw/zinc/20/17/55/948201755.db2.gz SSRZTYOZAQKNPA-UHFFFAOYSA-N -1 3 375.780 0.703 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573433455 948202150 /nfs/dbraw/zinc/20/21/50/948202150.db2.gz LZVCORHIVJFURL-IYOUNJFTSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573433455 948202154 /nfs/dbraw/zinc/20/21/54/948202154.db2.gz LZVCORHIVJFURL-IYOUNJFTSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573681536 948205223 /nfs/dbraw/zinc/20/52/23/948205223.db2.gz WFBDUSFTHHNLLL-RISCZKNCSA-N -1 3 388.407 0.030 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H](CO)C2CCOCC2)cc1 ZINC000826395120 948206018 /nfs/dbraw/zinc/20/60/18/948206018.db2.gz NOBLMPGOBNTFBF-OAHLLOKOSA-N -1 3 398.427 0.152 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H](CO)C2CCOCC2)cc1 ZINC000826395120 948206026 /nfs/dbraw/zinc/20/60/26/948206026.db2.gz NOBLMPGOBNTFBF-OAHLLOKOSA-N -1 3 398.427 0.152 20 0 GCADHM O=C(C1CC1)N1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826398057 948212432 /nfs/dbraw/zinc/21/24/32/948212432.db2.gz PHFCAXNUCGCLFP-KRWDZBQOSA-N -1 3 395.467 0.916 20 0 GCADHM O=C(C1CC1)N1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826398057 948212443 /nfs/dbraw/zinc/21/24/43/948212443.db2.gz PHFCAXNUCGCLFP-KRWDZBQOSA-N -1 3 395.467 0.916 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573434579 948217906 /nfs/dbraw/zinc/21/79/06/948217906.db2.gz QQZLEKPWZJBJGZ-KZULUSFZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573434579 948217914 /nfs/dbraw/zinc/21/79/14/948217914.db2.gz QQZLEKPWZJBJGZ-KZULUSFZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@H](N2CCN(c3snc(Cl)c3-c3nnn[n-]3)CC2)C1 ZINC001573434775 948218863 /nfs/dbraw/zinc/21/88/63/948218863.db2.gz WLXDUAWVLAGMHP-JTQLQIEISA-N -1 3 382.881 0.719 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573435316 948228031 /nfs/dbraw/zinc/22/80/31/948228031.db2.gz VOIAHHZENNDACB-LJQANCHMSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573435316 948228036 /nfs/dbraw/zinc/22/80/36/948228036.db2.gz VOIAHHZENNDACB-LJQANCHMSA-N -1 3 383.456 0.426 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573690794 948229786 /nfs/dbraw/zinc/22/97/86/948229786.db2.gz FPKQIWNOYBCROO-RISCZKNCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573690794 948229794 /nfs/dbraw/zinc/22/97/94/948229794.db2.gz FPKQIWNOYBCROO-RISCZKNCSA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)CCN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573435525 948231256 /nfs/dbraw/zinc/23/12/56/948231256.db2.gz YBNQJDRLQBBKRA-SFHVURJKSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)CCN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573435525 948231267 /nfs/dbraw/zinc/23/12/67/948231267.db2.gz YBNQJDRLQBBKRA-SFHVURJKSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573435697 948233363 /nfs/dbraw/zinc/23/33/63/948233363.db2.gz ZPIYJYRYZUSYFT-KPZWWZAWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573435697 948233368 /nfs/dbraw/zinc/23/33/68/948233368.db2.gz ZPIYJYRYZUSYFT-KPZWWZAWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573435648 948233531 /nfs/dbraw/zinc/23/35/31/948233531.db2.gz YOQXLOJSZNDWOQ-KRWDZBQOSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573435648 948233536 /nfs/dbraw/zinc/23/35/36/948233536.db2.gz YOQXLOJSZNDWOQ-KRWDZBQOSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573435670 948233699 /nfs/dbraw/zinc/23/36/99/948233699.db2.gz ZAEAVYANRLVHPP-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573435670 948233707 /nfs/dbraw/zinc/23/37/07/948233707.db2.gz ZAEAVYANRLVHPP-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573435701 948233876 /nfs/dbraw/zinc/23/38/76/948233876.db2.gz ZQEGBFRBESOOHB-IBGZPJMESA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573435701 948233889 /nfs/dbraw/zinc/23/38/89/948233889.db2.gz ZQEGBFRBESOOHB-IBGZPJMESA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573438424 948234391 /nfs/dbraw/zinc/23/43/91/948234391.db2.gz AEZIHMNABBQKLR-UONOGXRCSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573438424 948234399 /nfs/dbraw/zinc/23/43/99/948234399.db2.gz AEZIHMNABBQKLR-UONOGXRCSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573438414 948234417 /nfs/dbraw/zinc/23/44/17/948234417.db2.gz ACXUTQYDROUYBZ-WFASDCNBSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573438414 948234424 /nfs/dbraw/zinc/23/44/24/948234424.db2.gz ACXUTQYDROUYBZ-WFASDCNBSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573691171 948236368 /nfs/dbraw/zinc/23/63/68/948236368.db2.gz DHMUKHNAWCMQFA-SECBINFHSA-N -1 3 382.421 0.500 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573691171 948236376 /nfs/dbraw/zinc/23/63/76/948236376.db2.gz DHMUKHNAWCMQFA-SECBINFHSA-N -1 3 382.421 0.500 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573438582 948236861 /nfs/dbraw/zinc/23/68/61/948236861.db2.gz CHWKIODXATYRHB-TZMCWYRMSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573438582 948236871 /nfs/dbraw/zinc/23/68/71/948236871.db2.gz CHWKIODXATYRHB-TZMCWYRMSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573438584 948237815 /nfs/dbraw/zinc/23/78/15/948237815.db2.gz CIUBNGUYGHLFRD-CQSZACIVSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573438584 948237822 /nfs/dbraw/zinc/23/78/22/948237822.db2.gz CIUBNGUYGHLFRD-CQSZACIVSA-N -1 3 386.460 0.415 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccs1 ZINC001573691746 948245655 /nfs/dbraw/zinc/24/56/55/948245655.db2.gz JQVDOFTVPMQBJG-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccs1 ZINC001573691746 948245667 /nfs/dbraw/zinc/24/56/67/948245667.db2.gz JQVDOFTVPMQBJG-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573439390 948246538 /nfs/dbraw/zinc/24/65/38/948246538.db2.gz LKUQZTJHFBPKMA-ZFWWWQNUSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573439390 948246548 /nfs/dbraw/zinc/24/65/48/948246548.db2.gz LKUQZTJHFBPKMA-ZFWWWQNUSA-N -1 3 384.444 0.533 20 0 GCADHM O=C(CN1CCOCC1)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826411473 948249091 /nfs/dbraw/zinc/24/90/91/948249091.db2.gz ZSHUTWJJTXOQHE-UHFFFAOYSA-N -1 3 388.819 0.977 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573691922 948250444 /nfs/dbraw/zinc/25/04/44/948250444.db2.gz LCWDQQPLEIMZJL-GXFFZTMASA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573691922 948250452 /nfs/dbraw/zinc/25/04/52/948250452.db2.gz LCWDQQPLEIMZJL-GXFFZTMASA-N -1 3 375.433 0.228 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OCCCCCCO ZINC000826412458 948251913 /nfs/dbraw/zinc/25/19/13/948251913.db2.gz ONTYZHINUHBNJI-UHFFFAOYSA-N -1 3 383.430 0.241 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OCCCCCCO ZINC000826412458 948251923 /nfs/dbraw/zinc/25/19/23/948251923.db2.gz ONTYZHINUHBNJI-UHFFFAOYSA-N -1 3 383.430 0.241 20 0 GCADHM O=C(COC(=O)c1ccn(C(F)F)n1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826415981 948256142 /nfs/dbraw/zinc/25/61/42/948256142.db2.gz CGIZFSCNQHNBGO-UHFFFAOYSA-N -1 3 377.311 0.932 20 0 GCADHM O=C(COC(=O)c1ccn(C(F)F)n1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826415981 948256151 /nfs/dbraw/zinc/25/61/51/948256151.db2.gz CGIZFSCNQHNBGO-UHFFFAOYSA-N -1 3 377.311 0.932 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cccnc1 ZINC001573692136 948257194 /nfs/dbraw/zinc/25/71/94/948257194.db2.gz MKQGRRDUSFAGTQ-NSHDSACASA-N -1 3 380.412 0.772 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cccnc1 ZINC001573692136 948257202 /nfs/dbraw/zinc/25/72/02/948257202.db2.gz MKQGRRDUSFAGTQ-NSHDSACASA-N -1 3 380.412 0.772 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000826418072 948261849 /nfs/dbraw/zinc/26/18/49/948261849.db2.gz QGUHEBNERBGVKR-OAHLLOKOSA-N -1 3 382.355 0.916 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000826418072 948261858 /nfs/dbraw/zinc/26/18/58/948261858.db2.gz QGUHEBNERBGVKR-OAHLLOKOSA-N -1 3 382.355 0.916 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NCCCCCCO ZINC000826419666 948262735 /nfs/dbraw/zinc/26/27/35/948262735.db2.gz GXSAJPXFLGZLOS-UHFFFAOYSA-N -1 3 381.458 0.450 20 0 GCADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573441064 948265558 /nfs/dbraw/zinc/26/55/58/948265558.db2.gz DFDVMSLZKQTREV-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573441064 948265567 /nfs/dbraw/zinc/26/55/67/948265567.db2.gz DFDVMSLZKQTREV-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CC1 ZINC001573692537 948267415 /nfs/dbraw/zinc/26/74/15/948267415.db2.gz PQSSPCDGNJISDL-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CC1 ZINC001573692537 948267425 /nfs/dbraw/zinc/26/74/25/948267425.db2.gz PQSSPCDGNJISDL-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573441249 948267997 /nfs/dbraw/zinc/26/79/97/948267997.db2.gz GETDNGZJNMYBEX-ZDUSSCGKSA-N -1 3 390.423 0.720 20 0 GCADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573441249 948268002 /nfs/dbraw/zinc/26/80/02/948268002.db2.gz GETDNGZJNMYBEX-ZDUSSCGKSA-N -1 3 390.423 0.720 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573692595 948268758 /nfs/dbraw/zinc/26/87/58/948268758.db2.gz PZAXMCATFZVKDJ-WPRPVWTQSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573692595 948268761 /nfs/dbraw/zinc/26/87/61/948268761.db2.gz PZAXMCATFZVKDJ-WPRPVWTQSA-N -1 3 385.375 0.035 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573441790 948276187 /nfs/dbraw/zinc/27/61/87/948276187.db2.gz BMVCEOARBNVOIL-AWEZNQCLSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573441790 948276194 /nfs/dbraw/zinc/27/61/94/948276194.db2.gz BMVCEOARBNVOIL-AWEZNQCLSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1)[C@H]1CCC(=O)N1 ZINC001573693005 948276585 /nfs/dbraw/zinc/27/65/85/948276585.db2.gz UOIKQFJULQIBRL-BXKDBHETSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1)[C@H]1CCC(=O)N1 ZINC001573693005 948276594 /nfs/dbraw/zinc/27/65/94/948276594.db2.gz UOIKQFJULQIBRL-BXKDBHETSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C1CC1 ZINC001573693828 948290241 /nfs/dbraw/zinc/29/02/41/948290241.db2.gz UJHCSVAGPNZDHC-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C1CC1 ZINC001573693828 948290250 /nfs/dbraw/zinc/29/02/50/948290250.db2.gz UJHCSVAGPNZDHC-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573694329 948293209 /nfs/dbraw/zinc/29/32/09/948293209.db2.gz COLWMQKLNKSJQP-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573694329 948293219 /nfs/dbraw/zinc/29/32/19/948293219.db2.gz COLWMQKLNKSJQP-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573694296 948293518 /nfs/dbraw/zinc/29/35/18/948293518.db2.gz CEEPZHPZDYXPSC-OTYXRUKQSA-N -1 3 385.350 0.518 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573694296 948293526 /nfs/dbraw/zinc/29/35/26/948293526.db2.gz CEEPZHPZDYXPSC-OTYXRUKQSA-N -1 3 385.350 0.518 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573694326 948294497 /nfs/dbraw/zinc/29/44/97/948294497.db2.gz COLWMQKLNKSJQP-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573694326 948294506 /nfs/dbraw/zinc/29/45/06/948294506.db2.gz COLWMQKLNKSJQP-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573442985 948303206 /nfs/dbraw/zinc/30/32/06/948303206.db2.gz LCIZAYFOUIWYMA-ZYHUDNBSSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573442985 948303218 /nfs/dbraw/zinc/30/32/18/948303218.db2.gz LCIZAYFOUIWYMA-ZYHUDNBSSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001573695305 948305366 /nfs/dbraw/zinc/30/53/66/948305366.db2.gz GFBLBAPYLSUMTL-CZUORRHYSA-N -1 3 386.456 0.345 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001573695305 948305378 /nfs/dbraw/zinc/30/53/78/948305378.db2.gz GFBLBAPYLSUMTL-CZUORRHYSA-N -1 3 386.456 0.345 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573443840 948307530 /nfs/dbraw/zinc/30/75/30/948307530.db2.gz PUOWWUYSTIQIKB-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573443840 948307539 /nfs/dbraw/zinc/30/75/39/948307539.db2.gz PUOWWUYSTIQIKB-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573443841 948308054 /nfs/dbraw/zinc/30/80/54/948308054.db2.gz PUOWWUYSTIQIKB-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573443841 948308061 /nfs/dbraw/zinc/30/80/61/948308061.db2.gz PUOWWUYSTIQIKB-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573443468 948308740 /nfs/dbraw/zinc/30/87/40/948308740.db2.gz OASLFOXGWKTSCM-JQWIXIFHSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573443468 948308745 /nfs/dbraw/zinc/30/87/45/948308745.db2.gz OASLFOXGWKTSCM-JQWIXIFHSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](C(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573695629 948310043 /nfs/dbraw/zinc/31/00/43/948310043.db2.gz HQYZFHSAXXAWGW-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573695629 948310053 /nfs/dbraw/zinc/31/00/53/948310053.db2.gz HQYZFHSAXXAWGW-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573443871 948310223 /nfs/dbraw/zinc/31/02/23/948310223.db2.gz QACYADLUVXGHCF-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573443871 948310233 /nfs/dbraw/zinc/31/02/33/948310233.db2.gz QACYADLUVXGHCF-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573444817 948316721 /nfs/dbraw/zinc/31/67/21/948316721.db2.gz WDIQZJXZCMGGMC-ZDUSSCGKSA-N -1 3 391.501 0.735 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826451248 948318163 /nfs/dbraw/zinc/31/81/63/948318163.db2.gz XMEXPEUKXOUAKM-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826451248 948318172 /nfs/dbraw/zinc/31/81/72/948318172.db2.gz XMEXPEUKXOUAKM-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)C(F)(F)F ZINC001573696344 948322134 /nfs/dbraw/zinc/32/21/34/948322134.db2.gz OGBDJJCENMSGDC-JTQLQIEISA-N -1 3 384.362 0.728 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)C(F)(F)F ZINC001573696344 948322144 /nfs/dbraw/zinc/32/21/44/948322144.db2.gz OGBDJJCENMSGDC-JTQLQIEISA-N -1 3 384.362 0.728 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573696506 948326019 /nfs/dbraw/zinc/32/60/19/948326019.db2.gz RQBYRTIUVACRAZ-GFCCVEGCSA-N -1 3 387.469 0.654 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573446252 948327539 /nfs/dbraw/zinc/32/75/39/948327539.db2.gz BXRIDYKSCLKKLX-MRXNPFEDSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573446252 948327548 /nfs/dbraw/zinc/32/75/48/948327548.db2.gz BXRIDYKSCLKKLX-MRXNPFEDSA-N -1 3 387.419 0.317 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573446467 948328188 /nfs/dbraw/zinc/32/81/88/948328188.db2.gz HITQXKKCTXWPQV-HUUCEWRRSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573446467 948328197 /nfs/dbraw/zinc/32/81/97/948328197.db2.gz HITQXKKCTXWPQV-HUUCEWRRSA-N -1 3 384.444 0.310 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCCC1 ZINC001573696667 948331076 /nfs/dbraw/zinc/33/10/76/948331076.db2.gz VDFCIVZVEKCGSN-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCCC1 ZINC001573696667 948331082 /nfs/dbraw/zinc/33/10/82/948331082.db2.gz VDFCIVZVEKCGSN-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573696715 948331958 /nfs/dbraw/zinc/33/19/58/948331958.db2.gz WIYMTOVBOYOXAK-BBATYDOGSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573696715 948331963 /nfs/dbraw/zinc/33/19/63/948331963.db2.gz WIYMTOVBOYOXAK-BBATYDOGSA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573446658 948334203 /nfs/dbraw/zinc/33/42/03/948334203.db2.gz LNZDLGTYCBBXOT-IINYFYTJSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573446658 948334210 /nfs/dbraw/zinc/33/42/10/948334210.db2.gz LNZDLGTYCBBXOT-IINYFYTJSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1CCC1 ZINC001573696783 948334535 /nfs/dbraw/zinc/33/45/35/948334535.db2.gz XCDUSRHGKFKALU-BBATYDOGSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1CCC1 ZINC001573696783 948334543 /nfs/dbraw/zinc/33/45/43/948334543.db2.gz XCDUSRHGKFKALU-BBATYDOGSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccn1 ZINC001573696802 948335066 /nfs/dbraw/zinc/33/50/66/948335066.db2.gz XFERIQUNLMMFDN-NGFQHRJXSA-N -1 3 379.428 0.518 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccn1 ZINC001573696802 948335075 /nfs/dbraw/zinc/33/50/75/948335075.db2.gz XFERIQUNLMMFDN-NGFQHRJXSA-N -1 3 379.428 0.518 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573446873 948339173 /nfs/dbraw/zinc/33/91/73/948339173.db2.gz QGSRUOPPLNENNK-GOEBONIOSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573446873 948339178 /nfs/dbraw/zinc/33/91/78/948339178.db2.gz QGSRUOPPLNENNK-GOEBONIOSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573447067 948341375 /nfs/dbraw/zinc/34/13/75/948341375.db2.gz TVKQQZQTGJUSHK-UKRRQHHQSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573447067 948341383 /nfs/dbraw/zinc/34/13/83/948341383.db2.gz TVKQQZQTGJUSHK-UKRRQHHQSA-N -1 3 384.444 0.310 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573702009 948343593 /nfs/dbraw/zinc/34/35/93/948343593.db2.gz CJSLVENZUKHZCC-WCQYABFASA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573702009 948343597 /nfs/dbraw/zinc/34/35/97/948343597.db2.gz CJSLVENZUKHZCC-WCQYABFASA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573703130 948350768 /nfs/dbraw/zinc/35/07/68/948350768.db2.gz IFAGLFMVAKKKJF-JSGCOSHPSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573703130 948350772 /nfs/dbraw/zinc/35/07/72/948350772.db2.gz IFAGLFMVAKKKJF-JSGCOSHPSA-N -1 3 382.432 0.590 20 0 GCADHM O=C(OCc1nnnn1Cc1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826467547 948361803 /nfs/dbraw/zinc/36/18/03/948361803.db2.gz BBLKPVJHULAFJL-MRXNPFEDSA-N -1 3 392.379 0.678 20 0 GCADHM O=C(OCc1nnnn1Cc1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826467547 948361810 /nfs/dbraw/zinc/36/18/10/948361810.db2.gz BBLKPVJHULAFJL-MRXNPFEDSA-N -1 3 392.379 0.678 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573704295 948369669 /nfs/dbraw/zinc/36/96/69/948369669.db2.gz RFAQMDOFZICDON-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573704295 948369672 /nfs/dbraw/zinc/36/96/72/948369672.db2.gz RFAQMDOFZICDON-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM O=C1[C@H](N2CCCS(=O)(=O)CC2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476362 948379261 /nfs/dbraw/zinc/37/92/61/948379261.db2.gz GCQNRLBCTLSCPA-OAHLLOKOSA-N -1 3 390.469 0.483 20 0 GCADHM O=C1[C@H](N2CCCS(=O)(=O)CC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476362 948379270 /nfs/dbraw/zinc/37/92/70/948379270.db2.gz GCQNRLBCTLSCPA-OAHLLOKOSA-N -1 3 390.469 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573704679 948379808 /nfs/dbraw/zinc/37/98/08/948379808.db2.gz CJPWIKOWEGNUQZ-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573704679 948379816 /nfs/dbraw/zinc/37/98/16/948379816.db2.gz CJPWIKOWEGNUQZ-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573704677 948380625 /nfs/dbraw/zinc/38/06/25/948380625.db2.gz CJPWIKOWEGNUQZ-NEPJUHHUSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573704677 948380633 /nfs/dbraw/zinc/38/06/33/948380633.db2.gz CJPWIKOWEGNUQZ-NEPJUHHUSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573704700 948381518 /nfs/dbraw/zinc/38/15/18/948381518.db2.gz CMOTTZRHWVYPGW-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573704700 948381525 /nfs/dbraw/zinc/38/15/25/948381525.db2.gz CMOTTZRHWVYPGW-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573704809 948382540 /nfs/dbraw/zinc/38/25/40/948382540.db2.gz FDJQDNZVFKUYTC-DTWKUNHWSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573704809 948382546 /nfs/dbraw/zinc/38/25/46/948382546.db2.gz FDJQDNZVFKUYTC-DTWKUNHWSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573704811 948383343 /nfs/dbraw/zinc/38/33/43/948383343.db2.gz FDJQDNZVFKUYTC-IUCAKERBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573704811 948383352 /nfs/dbraw/zinc/38/33/52/948383352.db2.gz FDJQDNZVFKUYTC-IUCAKERBSA-N -1 3 385.350 0.972 20 0 GCADHM O=C1[C@H](Nc2cncc3ncnn32)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477477 948388610 /nfs/dbraw/zinc/38/86/10/948388610.db2.gz DYHSNPBSTPSLLB-CYBMUJFWSA-N -1 3 376.384 0.912 20 0 GCADHM O=C1[C@H](Nc2cncc3ncnn32)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477477 948388617 /nfs/dbraw/zinc/38/86/17/948388617.db2.gz DYHSNPBSTPSLLB-CYBMUJFWSA-N -1 3 376.384 0.912 20 0 GCADHM O=C1[C@@H](Nc2cncc3ncnn32)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477478 948388666 /nfs/dbraw/zinc/38/86/66/948388666.db2.gz DYHSNPBSTPSLLB-ZDUSSCGKSA-N -1 3 376.384 0.912 20 0 GCADHM O=C1[C@@H](Nc2cncc3ncnn32)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477478 948388674 /nfs/dbraw/zinc/38/86/74/948388674.db2.gz DYHSNPBSTPSLLB-ZDUSSCGKSA-N -1 3 376.384 0.912 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1c1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573705034 948389844 /nfs/dbraw/zinc/38/98/44/948389844.db2.gz VFCIHFXQDQJFSV-TZMCWYRMSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1c1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573705034 948389854 /nfs/dbraw/zinc/38/98/54/948389854.db2.gz VFCIHFXQDQJFSV-TZMCWYRMSA-N -1 3 381.444 0.884 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC2(COC(=O)N2)CC1 ZINC000826482108 948395589 /nfs/dbraw/zinc/39/55/89/948395589.db2.gz SCIQMVSGQJPHJN-UHFFFAOYSA-N -1 3 375.364 0.790 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC2(COC(=O)N2)CC1 ZINC000826482108 948395592 /nfs/dbraw/zinc/39/55/92/948395592.db2.gz SCIQMVSGQJPHJN-UHFFFAOYSA-N -1 3 375.364 0.790 20 0 GCADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826482121 948395693 /nfs/dbraw/zinc/39/56/93/948395693.db2.gz SICJYHFSWHRMSU-VIFPVBQESA-N -1 3 396.194 0.550 20 0 GCADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826482121 948395697 /nfs/dbraw/zinc/39/56/97/948395697.db2.gz SICJYHFSWHRMSU-VIFPVBQESA-N -1 3 396.194 0.550 20 0 GCADHM O=S(=O)(NCCNc1nc2ccccn2c1-c1nnn[n-]1)c1cccnc1 ZINC000826491584 948403634 /nfs/dbraw/zinc/40/36/34/948403634.db2.gz QNFRWNZUGGQVNP-UHFFFAOYSA-N -1 3 385.413 0.300 20 0 GCADHM O=S(=O)(NCCNc1nc2ccccn2c1-c1nn[n-]n1)c1cccnc1 ZINC000826491584 948403638 /nfs/dbraw/zinc/40/36/38/948403638.db2.gz QNFRWNZUGGQVNP-UHFFFAOYSA-N -1 3 385.413 0.300 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573705994 948411463 /nfs/dbraw/zinc/41/14/63/948411463.db2.gz HYPVENXZXXBDQC-GXTWGEPZSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573705994 948411467 /nfs/dbraw/zinc/41/14/67/948411467.db2.gz HYPVENXZXXBDQC-GXTWGEPZSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573706520 948420914 /nfs/dbraw/zinc/42/09/14/948420914.db2.gz LLAHJPBSSNHHGH-STQMWFEESA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573706520 948420919 /nfs/dbraw/zinc/42/09/19/948420919.db2.gz LLAHJPBSSNHHGH-STQMWFEESA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573706641 948422711 /nfs/dbraw/zinc/42/27/11/948422711.db2.gz JZJXSKFLLYTQBI-KOLCDFICSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573706641 948422713 /nfs/dbraw/zinc/42/27/13/948422713.db2.gz JZJXSKFLLYTQBI-KOLCDFICSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1)C1CC1 ZINC001573706867 948425803 /nfs/dbraw/zinc/42/58/03/948425803.db2.gz MMJUZFBQZZFKJE-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1)C1CC1 ZINC001573706867 948425816 /nfs/dbraw/zinc/42/58/16/948425816.db2.gz MMJUZFBQZZFKJE-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cccn1 ZINC001573708484 948451306 /nfs/dbraw/zinc/45/13/06/948451306.db2.gz VGBXMUMWEMEEQD-OCCSQVGLSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cccn1 ZINC001573708484 948451311 /nfs/dbraw/zinc/45/13/11/948451311.db2.gz VGBXMUMWEMEEQD-OCCSQVGLSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)C(C)(F)F ZINC001573708517 948451467 /nfs/dbraw/zinc/45/14/67/948451467.db2.gz WBECHUGSPHUWSU-PWSUYJOCSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)C(C)(F)F ZINC001573708517 948451476 /nfs/dbraw/zinc/45/14/76/948451476.db2.gz WBECHUGSPHUWSU-PWSUYJOCSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573708509 948452437 /nfs/dbraw/zinc/45/24/37/948452437.db2.gz VYIAGEJMLMAKHR-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573708509 948452444 /nfs/dbraw/zinc/45/24/44/948452444.db2.gz VYIAGEJMLMAKHR-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cccc1 ZINC001573708902 948461641 /nfs/dbraw/zinc/46/16/41/948461641.db2.gz YNPGSJBIZNTDOE-ZFWWWQNUSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cccc1 ZINC001573708902 948461646 /nfs/dbraw/zinc/46/16/46/948461646.db2.gz YNPGSJBIZNTDOE-ZFWWWQNUSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccn1 ZINC001573713795 948467929 /nfs/dbraw/zinc/46/79/29/948467929.db2.gz BQURKAZKRNBCFA-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccn1 ZINC001573713795 948467935 /nfs/dbraw/zinc/46/79/35/948467935.db2.gz BQURKAZKRNBCFA-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573718651 948517425 /nfs/dbraw/zinc/51/74/25/948517425.db2.gz IOTSRZDFHOZCMD-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573718651 948517430 /nfs/dbraw/zinc/51/74/30/948517430.db2.gz IOTSRZDFHOZCMD-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573719690 948526286 /nfs/dbraw/zinc/52/62/86/948526286.db2.gz NNBXJRWHYANRLY-NSHDSACASA-N -1 3 387.400 0.142 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573719690 948526291 /nfs/dbraw/zinc/52/62/91/948526291.db2.gz NNBXJRWHYANRLY-NSHDSACASA-N -1 3 387.400 0.142 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573720717 948534634 /nfs/dbraw/zinc/53/46/34/948534634.db2.gz SEUOGVRMAWDXDK-LBPRGKRZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573720717 948534636 /nfs/dbraw/zinc/53/46/36/948534636.db2.gz SEUOGVRMAWDXDK-LBPRGKRZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)NCCN1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001573720959 948535385 /nfs/dbraw/zinc/53/53/85/948535385.db2.gz TZAKTZDDTVXELY-GFCCVEGCSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@H](C(=O)NCCN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)S(C)(=O)=O ZINC001573720931 948535504 /nfs/dbraw/zinc/53/55/04/948535504.db2.gz SZELMDBFJAOIQX-GFCCVEGCSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)NCCN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001573721669 948541743 /nfs/dbraw/zinc/54/17/43/948541743.db2.gz ZZBSUQPTMNIRRZ-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@@H](C(=O)NCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001573721669 948541747 /nfs/dbraw/zinc/54/17/47/948541747.db2.gz ZZBSUQPTMNIRRZ-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573725914 948545084 /nfs/dbraw/zinc/54/50/84/948545084.db2.gz CUUDEWRQMGDKHR-CDGCEXEKSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573725914 948545088 /nfs/dbraw/zinc/54/50/88/948545088.db2.gz CUUDEWRQMGDKHR-CDGCEXEKSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573729903 948573255 /nfs/dbraw/zinc/57/32/55/948573255.db2.gz WDEJCIHZULFVQE-JBLDHEPKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573729903 948573261 /nfs/dbraw/zinc/57/32/61/948573261.db2.gz WDEJCIHZULFVQE-JBLDHEPKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NCc1cncc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001573731324 948589133 /nfs/dbraw/zinc/58/91/33/948589133.db2.gz VQUDRPPVPSBTBU-SNVBAGLBSA-N -1 3 390.400 0.879 20 0 GCADHM C[C@H](C(=O)NCc1cncc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(F)cc1 ZINC001573731324 948589139 /nfs/dbraw/zinc/58/91/39/948589139.db2.gz VQUDRPPVPSBTBU-SNVBAGLBSA-N -1 3 390.400 0.879 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccnn1C ZINC001573731563 948592896 /nfs/dbraw/zinc/59/28/96/948592896.db2.gz GTIDYNHPROOWFJ-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccnn1C ZINC001573731563 948592899 /nfs/dbraw/zinc/59/28/99/948592899.db2.gz GTIDYNHPROOWFJ-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](C(=O)NCc1ccco1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573731764 948594339 /nfs/dbraw/zinc/59/43/39/948594339.db2.gz YPPQHQQPHCDUIT-LLVKDONJSA-N -1 3 386.416 0.154 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573736095 948612882 /nfs/dbraw/zinc/61/28/82/948612882.db2.gz HUCOZZMMWQUFDP-ZWNOBZJWSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573736095 948612884 /nfs/dbraw/zinc/61/28/84/948612884.db2.gz HUCOZZMMWQUFDP-ZWNOBZJWSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573736274 948614809 /nfs/dbraw/zinc/61/48/09/948614809.db2.gz MIVGCLOGLZOEGO-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573736274 948614816 /nfs/dbraw/zinc/61/48/16/948614816.db2.gz MIVGCLOGLZOEGO-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573736474 948615897 /nfs/dbraw/zinc/61/58/97/948615897.db2.gz WYZHQSNUHFYIEJ-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573736474 948615904 /nfs/dbraw/zinc/61/59/04/948615904.db2.gz WYZHQSNUHFYIEJ-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573736497 948616424 /nfs/dbraw/zinc/61/64/24/948616424.db2.gz YPEODNNFVVQVPV-BXUZGUMPSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)n1cccc1 ZINC001573740686 948639143 /nfs/dbraw/zinc/63/91/43/948639143.db2.gz MXCUFWSPTZZVII-NJZAAPMLSA-N -1 3 385.403 0.734 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)n1cccc1 ZINC001573740686 948639147 /nfs/dbraw/zinc/63/91/47/948639147.db2.gz MXCUFWSPTZZVII-NJZAAPMLSA-N -1 3 385.403 0.734 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C1CCCC1 ZINC001573741041 948649403 /nfs/dbraw/zinc/64/94/03/948649403.db2.gz RMCWTKWJRBXXEK-VQISRLSMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C1CCCC1 ZINC001573741041 948649410 /nfs/dbraw/zinc/64/94/10/948649410.db2.gz RMCWTKWJRBXXEK-VQISRLSMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C1CCCC1 ZINC001573741520 948656412 /nfs/dbraw/zinc/65/64/12/948656412.db2.gz YBSPIFAXJDAENA-VQISRLSMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C1CCCC1 ZINC001573741520 948656417 /nfs/dbraw/zinc/65/64/17/948656417.db2.gz YBSPIFAXJDAENA-VQISRLSMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C)S(C)(=O)=O ZINC001573741835 948657655 /nfs/dbraw/zinc/65/76/55/948657655.db2.gz FNTNOAPLKGGUQH-XUJVJEKNSA-N -1 3 392.485 0.379 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573746823 948685180 /nfs/dbraw/zinc/68/51/80/948685180.db2.gz PORHCCOWAOEQEK-OHTBPHCPSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573746823 948685188 /nfs/dbraw/zinc/68/51/88/948685188.db2.gz PORHCCOWAOEQEK-OHTBPHCPSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573747329 948689162 /nfs/dbraw/zinc/68/91/62/948689162.db2.gz NMYDGHVCMJNNFT-BPNCWPANSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573747329 948689166 /nfs/dbraw/zinc/68/91/66/948689166.db2.gz NMYDGHVCMJNNFT-BPNCWPANSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001573748067 948694479 /nfs/dbraw/zinc/69/44/79/948694479.db2.gz ZXTSXUHKSJWWGX-HTTKSJEASA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001573748067 948694483 /nfs/dbraw/zinc/69/44/83/948694483.db2.gz ZXTSXUHKSJWWGX-HTTKSJEASA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573749340 948700043 /nfs/dbraw/zinc/70/00/43/948700043.db2.gz YMQKHKBCFNBGCW-GVXVVHGQSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573749340 948700048 /nfs/dbraw/zinc/70/00/48/948700048.db2.gz YMQKHKBCFNBGCW-GVXVVHGQSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)c1ccco1 ZINC001573751957 948708146 /nfs/dbraw/zinc/70/81/46/948708146.db2.gz IRMMPNBGDFHJGS-OZWUEAAUSA-N -1 3 381.396 0.778 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)c1ccco1 ZINC001573751957 948708153 /nfs/dbraw/zinc/70/81/53/948708153.db2.gz IRMMPNBGDFHJGS-OZWUEAAUSA-N -1 3 381.396 0.778 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573753426 948719380 /nfs/dbraw/zinc/71/93/80/948719380.db2.gz UVADXFZKEZGVCU-NEBZKDRISA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573753426 948719384 /nfs/dbraw/zinc/71/93/84/948719384.db2.gz UVADXFZKEZGVCU-NEBZKDRISA-N -1 3 379.428 0.945 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)n1cncn1 ZINC001573753986 948723324 /nfs/dbraw/zinc/72/33/24/948723324.db2.gz ZALQHTRQUIQHJM-FBIMIBRVSA-N -1 3 388.823 0.827 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)n1cncn1 ZINC001573753986 948723330 /nfs/dbraw/zinc/72/33/30/948723330.db2.gz ZALQHTRQUIQHJM-FBIMIBRVSA-N -1 3 388.823 0.827 20 0 GCADHM C[C@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573754341 948740821 /nfs/dbraw/zinc/74/08/21/948740821.db2.gz FDTAXGAPFSOMOW-MRVPVSSYSA-N -1 3 387.429 0.093 20 0 GCADHM C[C@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573754341 948740826 /nfs/dbraw/zinc/74/08/26/948740826.db2.gz FDTAXGAPFSOMOW-MRVPVSSYSA-N -1 3 387.429 0.093 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)CC1 ZINC001575223260 948761810 /nfs/dbraw/zinc/76/18/10/948761810.db2.gz MEIAEVOQDGIHTD-GHMZBOCLSA-N -1 3 379.371 0.363 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)CC1 ZINC001575223260 948761817 /nfs/dbraw/zinc/76/18/17/948761817.db2.gz MEIAEVOQDGIHTD-GHMZBOCLSA-N -1 3 379.371 0.363 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)n1 ZINC001574417053 948762028 /nfs/dbraw/zinc/76/20/28/948762028.db2.gz KGBVWUFXLYYTKN-GFCCVEGCSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)n1 ZINC001574417053 948762038 /nfs/dbraw/zinc/76/20/38/948762038.db2.gz KGBVWUFXLYYTKN-GFCCVEGCSA-N -1 3 382.428 0.983 20 0 GCADHM C[C@H](CNC(=O)CCc1ccn(C)n1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574915427 948765822 /nfs/dbraw/zinc/76/58/22/948765822.db2.gz TXYTWTSYZOBRNK-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CNC(=O)CCc1ccn(C)n1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574915427 948765832 /nfs/dbraw/zinc/76/58/32/948765832.db2.gz TXYTWTSYZOBRNK-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575223876 948771067 /nfs/dbraw/zinc/77/10/67/948771067.db2.gz HLGIUSOZSBXLAU-INIZCTEOSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575223876 948771085 /nfs/dbraw/zinc/77/10/85/948771085.db2.gz HLGIUSOZSBXLAU-INIZCTEOSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575224275 948780283 /nfs/dbraw/zinc/78/02/83/948780283.db2.gz LGMRSVXASOAJOR-INIZCTEOSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575224275 948780297 /nfs/dbraw/zinc/78/02/97/948780297.db2.gz LGMRSVXASOAJOR-INIZCTEOSA-N -1 3 381.387 0.755 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001574080122 948781183 /nfs/dbraw/zinc/78/11/83/948781183.db2.gz HQUBBNRWCRLKRK-KFWWJZLASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001574080122 948781193 /nfs/dbraw/zinc/78/11/93/948781193.db2.gz HQUBBNRWCRLKRK-KFWWJZLASA-N -1 3 380.399 0.661 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575224364 948783524 /nfs/dbraw/zinc/78/35/24/948783524.db2.gz VIOLDUCUQXYQJL-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575224364 948783535 /nfs/dbraw/zinc/78/35/35/948783535.db2.gz VIOLDUCUQXYQJL-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1 ZINC001574080169 948785224 /nfs/dbraw/zinc/78/52/24/948785224.db2.gz IWMORIHKNAEXLJ-JSGCOSHPSA-N -1 3 377.424 0.967 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1 ZINC001574080169 948785239 /nfs/dbraw/zinc/78/52/39/948785239.db2.gz IWMORIHKNAEXLJ-JSGCOSHPSA-N -1 3 377.424 0.967 20 0 GCADHM CC(F)(F)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575224717 948790886 /nfs/dbraw/zinc/79/08/86/948790886.db2.gz XMFLJEUJDHBLQX-GDGBQDQQSA-N -1 3 391.382 0.817 20 0 GCADHM CC(F)(F)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575224717 948790903 /nfs/dbraw/zinc/79/09/03/948790903.db2.gz XMFLJEUJDHBLQX-GDGBQDQQSA-N -1 3 391.382 0.817 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917052 948800700 /nfs/dbraw/zinc/80/07/00/948800700.db2.gz PSYAWYZYKISWMB-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917052 948800719 /nfs/dbraw/zinc/80/07/19/948800719.db2.gz PSYAWYZYKISWMB-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(C)CCS(N)(=O)=O ZINC001573756205 948802802 /nfs/dbraw/zinc/80/28/02/948802802.db2.gz NWQMXRDTRBTXLJ-QMMMGPOBSA-N -1 3 387.853 0.067 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(C)CCS(N)(=O)=O ZINC001573756205 948802812 /nfs/dbraw/zinc/80/28/12/948802812.db2.gz NWQMXRDTRBTXLJ-QMMMGPOBSA-N -1 3 387.853 0.067 20 0 GCADHM CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575225200 948803099 /nfs/dbraw/zinc/80/30/99/948803099.db2.gz XRSJZIYBAYQMJW-INIZCTEOSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575225200 948803111 /nfs/dbraw/zinc/80/31/11/948803111.db2.gz XRSJZIYBAYQMJW-INIZCTEOSA-N -1 3 381.387 0.755 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574421022 948810416 /nfs/dbraw/zinc/81/04/16/948810416.db2.gz DGQYJEYZVPHIQW-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574421022 948810435 /nfs/dbraw/zinc/81/04/35/948810435.db2.gz DGQYJEYZVPHIQW-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917248 948813637 /nfs/dbraw/zinc/81/36/37/948813637.db2.gz VFZCLJFNSIVUOQ-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917248 948813652 /nfs/dbraw/zinc/81/36/52/948813652.db2.gz VFZCLJFNSIVUOQ-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575226135 948814271 /nfs/dbraw/zinc/81/42/71/948814271.db2.gz INNLOYYBXNLPCE-RTCCRHLQSA-N -1 3 379.371 0.674 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575226135 948814296 /nfs/dbraw/zinc/81/42/96/948814296.db2.gz INNLOYYBXNLPCE-RTCCRHLQSA-N -1 3 379.371 0.674 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917434 948820291 /nfs/dbraw/zinc/82/02/91/948820291.db2.gz XOPNGGJCTMLLIP-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917434 948820311 /nfs/dbraw/zinc/82/03/11/948820311.db2.gz XOPNGGJCTMLLIP-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)[C@H]1CCCO1 ZINC001573756869 948824660 /nfs/dbraw/zinc/82/46/60/948824660.db2.gz UWDKZUIAPOJNNU-DJOIZQNCSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)[C@H]1CCCO1 ZINC001573756869 948824679 /nfs/dbraw/zinc/82/46/79/948824679.db2.gz UWDKZUIAPOJNNU-DJOIZQNCSA-N -1 3 387.419 0.767 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001575227707 948833780 /nfs/dbraw/zinc/83/37/80/948833780.db2.gz YNLJKXVNWMINDQ-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001575227707 948833799 /nfs/dbraw/zinc/83/37/99/948833799.db2.gz YNLJKXVNWMINDQ-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H](C(N)=O)N1Cc2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2C1 ZINC001573761099 948835331 /nfs/dbraw/zinc/83/53/31/948835331.db2.gz BGQNWQGMSRBGID-SNVBAGLBSA-N -1 3 380.412 0.314 20 0 GCADHM C[C@H](C(N)=O)N1Cc2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2C1 ZINC001573761099 948835350 /nfs/dbraw/zinc/83/53/50/948835350.db2.gz BGQNWQGMSRBGID-SNVBAGLBSA-N -1 3 380.412 0.314 20 0 GCADHM CC(F)(F)CC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575229171 948836299 /nfs/dbraw/zinc/83/62/99/948836299.db2.gz DDGSFVYLPDKIFD-UHFFFAOYSA-N -1 3 380.403 0.545 20 0 GCADHM CC(F)(F)CC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575229171 948836318 /nfs/dbraw/zinc/83/63/18/948836318.db2.gz DDGSFVYLPDKIFD-UHFFFAOYSA-N -1 3 380.403 0.545 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573761157 948836435 /nfs/dbraw/zinc/83/64/35/948836435.db2.gz DZXUPMOBLYYCDQ-UHFFFAOYSA-N -1 3 380.412 0.508 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573761157 948836450 /nfs/dbraw/zinc/83/64/50/948836450.db2.gz DZXUPMOBLYYCDQ-UHFFFAOYSA-N -1 3 380.412 0.508 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574684030 948856771 /nfs/dbraw/zinc/85/67/71/948856771.db2.gz AKBHTLXFFJVHKE-NXEZZACHSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574684030 948856790 /nfs/dbraw/zinc/85/67/90/948856790.db2.gz AKBHTLXFFJVHKE-NXEZZACHSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574684091 948859120 /nfs/dbraw/zinc/85/91/20/948859120.db2.gz BMQSYRRZOFFOLO-CABZTGNLSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574684091 948859135 /nfs/dbraw/zinc/85/91/35/948859135.db2.gz BMQSYRRZOFFOLO-CABZTGNLSA-N -1 3 392.851 0.843 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573762701 948859381 /nfs/dbraw/zinc/85/93/81/948859381.db2.gz YPFCECBCTWQFIF-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573762701 948859408 /nfs/dbraw/zinc/85/94/08/948859408.db2.gz YPFCECBCTWQFIF-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1)c1cnc[nH]1 ZINC001573763097 948862772 /nfs/dbraw/zinc/86/27/72/948862772.db2.gz ARAJYJWYDFEOQZ-UHFFFAOYSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1)c1cnc[nH]1 ZINC001573763097 948862792 /nfs/dbraw/zinc/86/27/92/948862792.db2.gz ARAJYJWYDFEOQZ-UHFFFAOYSA-N -1 3 382.432 0.761 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CN1CCCC1=O ZINC001574684391 948863726 /nfs/dbraw/zinc/86/37/26/948863726.db2.gz FIGLUERBHIWRJI-JTQLQIEISA-N -1 3 392.851 0.844 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CN1CCCC1=O ZINC001574684391 948863744 /nfs/dbraw/zinc/86/37/44/948863744.db2.gz FIGLUERBHIWRJI-JTQLQIEISA-N -1 3 392.851 0.844 20 0 GCADHM CC(C)C1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574082748 948866005 /nfs/dbraw/zinc/86/60/05/948866005.db2.gz IROOIEYWHOYJDH-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)C1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574082748 948866022 /nfs/dbraw/zinc/86/60/22/948866022.db2.gz IROOIEYWHOYJDH-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)c1nc(CN[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)no1 ZINC001574425171 948866554 /nfs/dbraw/zinc/86/65/54/948866554.db2.gz AKVKMRMCQUXABI-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)no1 ZINC001574425171 948866579 /nfs/dbraw/zinc/86/65/79/948866579.db2.gz AKVKMRMCQUXABI-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(F)(F)CC(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575231913 948871093 /nfs/dbraw/zinc/87/10/93/948871093.db2.gz AOFZBMOVXLQAOA-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(F)(F)CC(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001575231913 948871115 /nfs/dbraw/zinc/87/11/15/948871115.db2.gz AOFZBMOVXLQAOA-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574684516 948872294 /nfs/dbraw/zinc/87/22/94/948872294.db2.gz HSAZJAHDKFQCBU-KOLCDFICSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574684516 948872309 /nfs/dbraw/zinc/87/23/09/948872309.db2.gz HSAZJAHDKFQCBU-KOLCDFICSA-N -1 3 392.851 0.891 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001574083192 948875157 /nfs/dbraw/zinc/87/51/57/948875157.db2.gz PSSNEKGGFHHLPL-QGZVFWFLSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001574083192 948875173 /nfs/dbraw/zinc/87/51/73/948875173.db2.gz PSSNEKGGFHHLPL-QGZVFWFLSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574684610 948879433 /nfs/dbraw/zinc/87/94/33/948879433.db2.gz IWXZWEGZQXMXOL-GHMZBOCLSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574684610 948879456 /nfs/dbraw/zinc/87/94/56/948879456.db2.gz IWXZWEGZQXMXOL-GHMZBOCLSA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)c1cnc[nH]1 ZINC001573764065 948880538 /nfs/dbraw/zinc/88/05/38/948880538.db2.gz KWLJOUIEEGDACT-NSHDSACASA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)c1cnc[nH]1 ZINC001573764065 948880552 /nfs/dbraw/zinc/88/05/52/948880552.db2.gz KWLJOUIEEGDACT-NSHDSACASA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573764293 948883828 /nfs/dbraw/zinc/88/38/28/948883828.db2.gz LUQFNGDKXDGUBM-LLVKDONJSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573764293 948883846 /nfs/dbraw/zinc/88/38/46/948883846.db2.gz LUQFNGDKXDGUBM-LLVKDONJSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CCNc1nc(Cl)c(-c2nnn[n-]2)s1)NC(=O)Cc1nc[nH]n1 ZINC001574684820 948888331 /nfs/dbraw/zinc/88/83/31/948888331.db2.gz NFUNQLOSQYKBBH-LURJTMIESA-N -1 3 382.841 0.644 20 0 GCADHM C[C@@H](CCNc1nc(Cl)c(-c2nn[n-]n2)s1)NC(=O)Cc1nc[nH]n1 ZINC001574684820 948888350 /nfs/dbraw/zinc/88/83/50/948888350.db2.gz NFUNQLOSQYKBBH-LURJTMIESA-N -1 3 382.841 0.644 20 0 GCADHM CC(C)c1nc(CNC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)no1 ZINC001574426094 948889305 /nfs/dbraw/zinc/88/93/05/948889305.db2.gz QKIOQDIJZWCVSB-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)no1 ZINC001574426094 948889326 /nfs/dbraw/zinc/88/93/26/948889326.db2.gz QKIOQDIJZWCVSB-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574684793 948889471 /nfs/dbraw/zinc/88/94/71/948889471.db2.gz MUEDPOLGGUTCGM-KOLCDFICSA-N -1 3 376.396 0.376 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574684793 948889487 /nfs/dbraw/zinc/88/94/87/948889487.db2.gz MUEDPOLGGUTCGM-KOLCDFICSA-N -1 3 376.396 0.376 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)n1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574920228 948889411 /nfs/dbraw/zinc/88/94/11/948889411.db2.gz GGSGSSLDWUFLJS-LLVKDONJSA-N -1 3 387.423 0.708 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)n1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574920228 948889429 /nfs/dbraw/zinc/88/94/29/948889429.db2.gz GGSGSSLDWUFLJS-LLVKDONJSA-N -1 3 387.423 0.708 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001575233791 948890869 /nfs/dbraw/zinc/89/08/69/948890869.db2.gz LTCUKKCKXHZVLL-OWUUHHOZSA-N -1 3 379.371 0.674 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001575233791 948890898 /nfs/dbraw/zinc/89/08/98/948890898.db2.gz LTCUKKCKXHZVLL-OWUUHHOZSA-N -1 3 379.371 0.674 20 0 GCADHM CC(C)c1nc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001574426652 948891463 /nfs/dbraw/zinc/89/14/63/948891463.db2.gz UUNAVMSBZUQOQZ-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001574426652 948891484 /nfs/dbraw/zinc/89/14/84/948891484.db2.gz UUNAVMSBZUQOQZ-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)no1 ZINC001574426626 948893018 /nfs/dbraw/zinc/89/30/18/948893018.db2.gz TZBFNGRZPUOABB-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)no1 ZINC001574426626 948893035 /nfs/dbraw/zinc/89/30/35/948893035.db2.gz TZBFNGRZPUOABB-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1COCCO1 ZINC001574684988 948894419 /nfs/dbraw/zinc/89/44/19/948894419.db2.gz QNXROWWEBRPLNQ-BXKDBHETSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1COCCO1 ZINC001574684988 948894434 /nfs/dbraw/zinc/89/44/34/948894434.db2.gz QNXROWWEBRPLNQ-BXKDBHETSA-N -1 3 381.824 0.637 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CO)[C@@H]1CCOC1 ZINC001574083831 948895557 /nfs/dbraw/zinc/89/55/57/948895557.db2.gz YQQXWYUEDNIQOY-INWMFGNUSA-N -1 3 375.429 0.784 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CO)[C@@H]1CCOC1 ZINC001574083831 948895577 /nfs/dbraw/zinc/89/55/77/948895577.db2.gz YQQXWYUEDNIQOY-INWMFGNUSA-N -1 3 375.429 0.784 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1COC(=O)N1 ZINC001574684942 948896148 /nfs/dbraw/zinc/89/61/48/948896148.db2.gz PMNKVCMOUXJRRR-GMSGAONNSA-N -1 3 380.796 0.330 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1COC(=O)N1 ZINC001574684942 948896165 /nfs/dbraw/zinc/89/61/65/948896165.db2.gz PMNKVCMOUXJRRR-GMSGAONNSA-N -1 3 380.796 0.330 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684978 948896561 /nfs/dbraw/zinc/89/65/61/948896561.db2.gz QLVRWCBQXYNBIX-GZMMTYOYSA-N -1 3 378.824 0.500 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684978 948896579 /nfs/dbraw/zinc/89/65/79/948896579.db2.gz QLVRWCBQXYNBIX-GZMMTYOYSA-N -1 3 378.824 0.500 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1CC(CO)(CO)C1 ZINC001574083900 948897289 /nfs/dbraw/zinc/89/72/89/948897289.db2.gz ZZOBVQAJUHWAIO-OAHLLOKOSA-N -1 3 375.429 0.520 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1CC(CO)(CO)C1 ZINC001574083900 948897307 /nfs/dbraw/zinc/89/73/07/948897307.db2.gz ZZOBVQAJUHWAIO-OAHLLOKOSA-N -1 3 375.429 0.520 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1COC(=O)N1 ZINC001574684945 948898138 /nfs/dbraw/zinc/89/81/38/948898138.db2.gz PMNKVCMOUXJRRR-XVKPBYJWSA-N -1 3 380.796 0.330 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1COC(=O)N1 ZINC001574684945 948898153 /nfs/dbraw/zinc/89/81/53/948898153.db2.gz PMNKVCMOUXJRRR-XVKPBYJWSA-N -1 3 380.796 0.330 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)Cn1cncn1 ZINC001574685034 948900594 /nfs/dbraw/zinc/90/05/94/948900594.db2.gz RIHNLJCTVFUMBJ-SECBINFHSA-N -1 3 376.812 0.514 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)Cn1cncn1 ZINC001574685034 948900602 /nfs/dbraw/zinc/90/06/02/948900602.db2.gz RIHNLJCTVFUMBJ-SECBINFHSA-N -1 3 376.812 0.514 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920434 948900755 /nfs/dbraw/zinc/90/07/55/948900755.db2.gz LEXGMXVJEGLGJR-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001574685060 948900759 /nfs/dbraw/zinc/90/07/59/948900759.db2.gz RTKIWYRRHCVVPZ-CMPLNLGQSA-N -1 3 390.423 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920434 948900760 /nfs/dbraw/zinc/90/07/60/948900760.db2.gz LEXGMXVJEGLGJR-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001574685060 948900765 /nfs/dbraw/zinc/90/07/65/948900765.db2.gz RTKIWYRRHCVVPZ-CMPLNLGQSA-N -1 3 390.423 0.766 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnc[nH]1 ZINC001573765204 948900887 /nfs/dbraw/zinc/90/08/87/948900887.db2.gz WJXPDYNYJCKRLG-SNVBAGLBSA-N -1 3 383.416 0.226 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920435 948900979 /nfs/dbraw/zinc/90/09/79/948900979.db2.gz LEXGMXVJEGLGJR-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920435 948900993 /nfs/dbraw/zinc/90/09/93/948900993.db2.gz LEXGMXVJEGLGJR-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1CCN(C)C1=O ZINC001574685080 948902539 /nfs/dbraw/zinc/90/25/39/948902539.db2.gz SAQJTSNLOFECEF-GHMZBOCLSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1CCN(C)C1=O ZINC001574685080 948902551 /nfs/dbraw/zinc/90/25/51/948902551.db2.gz SAQJTSNLOFECEF-GHMZBOCLSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1cnn(C)c1N ZINC001574685205 948903280 /nfs/dbraw/zinc/90/32/80/948903280.db2.gz SPFZFQUWBQBOEW-QMMMGPOBSA-N -1 3 390.839 0.851 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1cnn(C)c1N ZINC001574685205 948903287 /nfs/dbraw/zinc/90/32/87/948903287.db2.gz SPFZFQUWBQBOEW-QMMMGPOBSA-N -1 3 390.839 0.851 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001574427693 948910526 /nfs/dbraw/zinc/91/05/26/948910526.db2.gz LACHYBFSEYGCGC-UHFFFAOYSA-N -1 3 384.448 0.571 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574427693 948910537 /nfs/dbraw/zinc/91/05/37/948910537.db2.gz LACHYBFSEYGCGC-UHFFFAOYSA-N -1 3 384.448 0.571 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574427707 948912482 /nfs/dbraw/zinc/91/24/82/948912482.db2.gz LVGFIMQLWVNSMX-GFCCVEGCSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574427707 948912488 /nfs/dbraw/zinc/91/24/88/948912488.db2.gz LVGFIMQLWVNSMX-GFCCVEGCSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574088230 948913337 /nfs/dbraw/zinc/91/33/37/948913337.db2.gz DWGNQGPCUZUVAS-SJKOYZFVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574088230 948913350 /nfs/dbraw/zinc/91/33/50/948913350.db2.gz DWGNQGPCUZUVAS-SJKOYZFVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573765572 948915717 /nfs/dbraw/zinc/91/57/17/948915717.db2.gz OMAZXNOXWTZUIN-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573765572 948915732 /nfs/dbraw/zinc/91/57/32/948915732.db2.gz OMAZXNOXWTZUIN-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574921366 948920282 /nfs/dbraw/zinc/92/02/82/948920282.db2.gz VQENCXDLPMNBDK-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574921366 948920297 /nfs/dbraw/zinc/92/02/97/948920297.db2.gz VQENCXDLPMNBDK-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574431746 948926368 /nfs/dbraw/zinc/92/63/68/948926368.db2.gz ASNFINPZPZFMIH-LBPRGKRZSA-N -1 3 384.448 0.405 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001574686145 948929042 /nfs/dbraw/zinc/92/90/42/948929042.db2.gz DWIDEVVKJRCGST-YPMHNXCESA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001574686145 948929056 /nfs/dbraw/zinc/92/90/56/948929056.db2.gz DWIDEVVKJRCGST-YPMHNXCESA-N -1 3 387.448 0.502 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432296 948931098 /nfs/dbraw/zinc/93/10/98/948931098.db2.gz ITVIFPAOEHQEIJ-RYUDHWBXSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432296 948931110 /nfs/dbraw/zinc/93/11/10/948931110.db2.gz ITVIFPAOEHQEIJ-RYUDHWBXSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574432283 948931748 /nfs/dbraw/zinc/93/17/48/948931748.db2.gz IKWODXUXGKYXDJ-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574432445 948931897 /nfs/dbraw/zinc/93/18/97/948931897.db2.gz JUIUHNOIKJMJHO-UHFFFAOYSA-N -1 3 382.432 0.325 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574432445 948931907 /nfs/dbraw/zinc/93/19/07/948931907.db2.gz JUIUHNOIKJMJHO-UHFFFAOYSA-N -1 3 382.432 0.325 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574432534 948936681 /nfs/dbraw/zinc/93/66/81/948936681.db2.gz MCJOROSELAVNEW-GFCCVEGCSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574432534 948936689 /nfs/dbraw/zinc/93/66/89/948936689.db2.gz MCJOROSELAVNEW-GFCCVEGCSA-N -1 3 383.416 0.378 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CNC(=O)N1CCCC1 ZINC001574686595 948938367 /nfs/dbraw/zinc/93/83/67/948938367.db2.gz KDBUUJANMVSVKE-LBPRGKRZSA-N -1 3 387.448 0.374 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CNC(=O)N1CCCC1 ZINC001574686595 948938379 /nfs/dbraw/zinc/93/83/79/948938379.db2.gz KDBUUJANMVSVKE-LBPRGKRZSA-N -1 3 387.448 0.374 20 0 GCADHM CC(C)(C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573771501 948942727 /nfs/dbraw/zinc/94/27/27/948942727.db2.gz JCTLUEYGTPEGMG-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573771501 948942739 /nfs/dbraw/zinc/94/27/39/948942739.db2.gz JCTLUEYGTPEGMG-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)CCn1ccnn1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574923376 948945025 /nfs/dbraw/zinc/94/50/25/948945025.db2.gz KYWNBZJOBXEMJS-SNVBAGLBSA-N -1 3 390.839 0.761 20 0 GCADHM C[C@H](CNC(=O)CCn1ccnn1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574923376 948945028 /nfs/dbraw/zinc/94/50/28/948945028.db2.gz KYWNBZJOBXEMJS-SNVBAGLBSA-N -1 3 390.839 0.761 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCC(=O)N1C ZINC001574687055 948946569 /nfs/dbraw/zinc/94/65/69/948946569.db2.gz MMCCWLXQVINOEG-BXKDBHETSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCC(=O)N1C ZINC001574687055 948946581 /nfs/dbraw/zinc/94/65/81/948946581.db2.gz MMCCWLXQVINOEG-BXKDBHETSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574923415 948948831 /nfs/dbraw/zinc/94/88/31/948948831.db2.gz LVWNWAVNDJIUDL-CYBMUJFWSA-N -1 3 382.428 0.678 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574923415 948948841 /nfs/dbraw/zinc/94/88/41/948948841.db2.gz LVWNWAVNDJIUDL-CYBMUJFWSA-N -1 3 382.428 0.678 20 0 GCADHM CC(F)(F)CCC(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575237940 948949872 /nfs/dbraw/zinc/94/98/72/948949872.db2.gz JQOKSUMVBFIFNU-UHFFFAOYSA-N -1 3 385.375 0.181 20 0 GCADHM CC(F)(F)CCC(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575237940 948949884 /nfs/dbraw/zinc/94/98/84/948949884.db2.gz JQOKSUMVBFIFNU-UHFFFAOYSA-N -1 3 385.375 0.181 20 0 GCADHM CC(C)c1ncncc1C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574433367 948951768 /nfs/dbraw/zinc/95/17/68/948951768.db2.gz WMPFDGNWAUCRNY-UHFFFAOYSA-N -1 3 381.400 0.363 20 0 GCADHM CC(C)c1ncncc1C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574433367 948951783 /nfs/dbraw/zinc/95/17/83/948951783.db2.gz WMPFDGNWAUCRNY-UHFFFAOYSA-N -1 3 381.400 0.363 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433341 948952787 /nfs/dbraw/zinc/95/27/87/948952787.db2.gz VJHWTCPWCCTREV-LBPRGKRZSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001574433368 948953161 /nfs/dbraw/zinc/95/31/61/948953161.db2.gz WNGRIZJINUAFLA-ZIAGYGMSSA-N -1 3 395.427 0.155 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001574433368 948953171 /nfs/dbraw/zinc/95/31/71/948953171.db2.gz WNGRIZJINUAFLA-ZIAGYGMSSA-N -1 3 395.427 0.155 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574089342 948953258 /nfs/dbraw/zinc/95/32/58/948953258.db2.gz JFIAOBQMJDBCMK-SGTLLEGYSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574089342 948953272 /nfs/dbraw/zinc/95/32/72/948953272.db2.gz JFIAOBQMJDBCMK-SGTLLEGYSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCO1 ZINC001574089500 948957533 /nfs/dbraw/zinc/95/75/33/948957533.db2.gz FCWYECIIWIACHJ-IAQYHMDHSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCO1 ZINC001574089500 948957546 /nfs/dbraw/zinc/95/75/46/948957546.db2.gz FCWYECIIWIACHJ-IAQYHMDHSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574688299 948958490 /nfs/dbraw/zinc/95/84/90/948958490.db2.gz STTPCQUMCGMONJ-GHMZBOCLSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574688299 948958500 /nfs/dbraw/zinc/95/85/00/948958500.db2.gz STTPCQUMCGMONJ-GHMZBOCLSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001574688350 948959487 /nfs/dbraw/zinc/95/94/87/948959487.db2.gz UHYKZZQKZHLWRZ-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001574688350 948959503 /nfs/dbraw/zinc/95/95/03/948959503.db2.gz UHYKZZQKZHLWRZ-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM CC(C)(C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nn2)C1)c1c[nH]cn1 ZINC001573772547 948961046 /nfs/dbraw/zinc/96/10/46/948961046.db2.gz UQKWLKZLVWWNKH-UHFFFAOYSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C1CC1 ZINC001573772420 948962164 /nfs/dbraw/zinc/96/21/64/948962164.db2.gz BQLYTDLRICYLEM-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C1CC1 ZINC001573772420 948962173 /nfs/dbraw/zinc/96/21/73/948962173.db2.gz BQLYTDLRICYLEM-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cc(=O)n(C)cn1 ZINC001574688601 948962779 /nfs/dbraw/zinc/96/27/79/948962779.db2.gz VYUZWFSWMBIAPM-SECBINFHSA-N -1 3 387.379 0.115 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cc(=O)n(C)cn1 ZINC001574688601 948962787 /nfs/dbraw/zinc/96/27/87/948962787.db2.gz VYUZWFSWMBIAPM-SECBINFHSA-N -1 3 387.379 0.115 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574089777 948965345 /nfs/dbraw/zinc/96/53/45/948965345.db2.gz KPGKZWNUWUZRMP-YVEFUNNKSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574089777 948965353 /nfs/dbraw/zinc/96/53/53/948965353.db2.gz KPGKZWNUWUZRMP-YVEFUNNKSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H](CNC(=O)CCn1cncn1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574924115 948965616 /nfs/dbraw/zinc/96/56/16/948965616.db2.gz WFOSKFTXVICZML-SNVBAGLBSA-N -1 3 390.839 0.761 20 0 GCADHM C[C@H](CNC(=O)CCn1cncn1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574924115 948965625 /nfs/dbraw/zinc/96/56/25/948965625.db2.gz WFOSKFTXVICZML-SNVBAGLBSA-N -1 3 390.839 0.761 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574433893 948967682 /nfs/dbraw/zinc/96/76/82/948967682.db2.gz VABVUJFJNHYQPZ-UHFFFAOYSA-N -1 3 383.416 0.306 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574433893 948967692 /nfs/dbraw/zinc/96/76/92/948967692.db2.gz VABVUJFJNHYQPZ-UHFFFAOYSA-N -1 3 383.416 0.306 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574433901 948970704 /nfs/dbraw/zinc/97/07/04/948970704.db2.gz VEOIWERUYPWGDR-LBPRGKRZSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574433901 948970711 /nfs/dbraw/zinc/97/07/11/948970711.db2.gz VEOIWERUYPWGDR-LBPRGKRZSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCOCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574089971 948973579 /nfs/dbraw/zinc/97/35/79/948973579.db2.gz JRNLIOQIYVLACF-KGLIPLIRSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCOCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574089971 948973586 /nfs/dbraw/zinc/97/35/86/948973586.db2.gz JRNLIOQIYVLACF-KGLIPLIRSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574433999 948974174 /nfs/dbraw/zinc/97/41/74/948974174.db2.gz BVEMDCLPHKEJIE-UHFFFAOYSA-N -1 3 383.420 0.133 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574433999 948974184 /nfs/dbraw/zinc/97/41/84/948974184.db2.gz BVEMDCLPHKEJIE-UHFFFAOYSA-N -1 3 383.420 0.133 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574925610 948975913 /nfs/dbraw/zinc/97/59/13/948975913.db2.gz BNFFYQFUJUZPGH-ZDUSSCGKSA-N -1 3 386.460 0.605 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574925610 948975923 /nfs/dbraw/zinc/97/59/23/948975923.db2.gz BNFFYQFUJUZPGH-ZDUSSCGKSA-N -1 3 386.460 0.605 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574925609 948975998 /nfs/dbraw/zinc/97/59/98/948975998.db2.gz BNFFYQFUJUZPGH-CYBMUJFWSA-N -1 3 386.460 0.605 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574925609 948976001 /nfs/dbraw/zinc/97/60/01/948976001.db2.gz BNFFYQFUJUZPGH-CYBMUJFWSA-N -1 3 386.460 0.605 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)C1CCOCC1 ZINC001573773148 948977217 /nfs/dbraw/zinc/97/72/17/948977217.db2.gz IADWFABIMLPNHC-AWEZNQCLSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)C1CCOCC1 ZINC001573773148 948977224 /nfs/dbraw/zinc/97/72/24/948977224.db2.gz IADWFABIMLPNHC-AWEZNQCLSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC001573773137 948977299 /nfs/dbraw/zinc/97/72/99/948977299.db2.gz HVOQKLIXHIXFMP-CQSZACIVSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)c1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001574434258 948977308 /nfs/dbraw/zinc/97/73/08/948977308.db2.gz FNBBHWCIJGYILN-QWRGUYRKSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)c1nnc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001574434258 948977321 /nfs/dbraw/zinc/97/73/21/948977321.db2.gz FNBBHWCIJGYILN-QWRGUYRKSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC001573773137 948977311 /nfs/dbraw/zinc/97/73/11/948977311.db2.gz HVOQKLIXHIXFMP-CQSZACIVSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574434203 948977702 /nfs/dbraw/zinc/97/77/02/948977702.db2.gz ZRSWHZJQGPOZGX-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574434203 948977710 /nfs/dbraw/zinc/97/77/10/948977710.db2.gz ZRSWHZJQGPOZGX-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574434193 948977820 /nfs/dbraw/zinc/97/78/20/948977820.db2.gz ZCKQAJUYAVSLSZ-LBPRGKRZSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574434193 948977832 /nfs/dbraw/zinc/97/78/32/948977832.db2.gz ZCKQAJUYAVSLSZ-LBPRGKRZSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)C(F)F ZINC001573773335 948979138 /nfs/dbraw/zinc/97/91/38/948979138.db2.gz LCCAEZHYAAJWIG-MNOVXSKESA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)C(F)F ZINC001573773335 948979151 /nfs/dbraw/zinc/97/91/51/948979151.db2.gz LCCAEZHYAAJWIG-MNOVXSKESA-N -1 3 381.387 0.609 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574689523 948986468 /nfs/dbraw/zinc/98/64/68/948986468.db2.gz HZYZEQMNWWYBEK-PWNZVWSESA-N -1 3 387.444 0.620 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574689523 948986481 /nfs/dbraw/zinc/98/64/81/948986481.db2.gz HZYZEQMNWWYBEK-PWNZVWSESA-N -1 3 387.444 0.620 20 0 GCADHM C[C@H](F)CCN1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001575243144 948990619 /nfs/dbraw/zinc/99/06/19/948990619.db2.gz NKVXZDUENHBGEC-WCQYABFASA-N -1 3 377.424 0.906 20 0 GCADHM C[C@H](F)CCN1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001575243144 948990634 /nfs/dbraw/zinc/99/06/34/948990634.db2.gz NKVXZDUENHBGEC-WCQYABFASA-N -1 3 377.424 0.906 20 0 GCADHM C[C@@H](F)CCN1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001575243141 948992051 /nfs/dbraw/zinc/99/20/51/948992051.db2.gz NKVXZDUENHBGEC-DGCLKSJQSA-N -1 3 377.424 0.906 20 0 GCADHM C[C@@H](F)CCN1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001575243141 948992058 /nfs/dbraw/zinc/99/20/58/948992058.db2.gz NKVXZDUENHBGEC-DGCLKSJQSA-N -1 3 377.424 0.906 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574689926 948994860 /nfs/dbraw/zinc/99/48/60/948994860.db2.gz MANOEAKQOVVGOJ-NSHDSACASA-N -1 3 383.416 0.861 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574689926 948994871 /nfs/dbraw/zinc/99/48/71/948994871.db2.gz MANOEAKQOVVGOJ-NSHDSACASA-N -1 3 383.416 0.861 20 0 GCADHM C[C@@H](CNC(=O)CN(C)CC(C)(C)C)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001574926397 948996828 /nfs/dbraw/zinc/99/68/28/948996828.db2.gz PKEOGHUJUISEMB-LBPRGKRZSA-N -1 3 375.481 0.576 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001573773983 948996866 /nfs/dbraw/zinc/99/68/66/948996866.db2.gz HLSZONRONOIJIZ-TZMCWYRMSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001573773983 948996876 /nfs/dbraw/zinc/99/68/76/948996876.db2.gz HLSZONRONOIJIZ-TZMCWYRMSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574090876 948997482 /nfs/dbraw/zinc/99/74/82/948997482.db2.gz JSTPYFBDSCYFOK-SWLSCSKDSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574090876 948997496 /nfs/dbraw/zinc/99/74/96/948997496.db2.gz JSTPYFBDSCYFOK-SWLSCSKDSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574435688 948998621 /nfs/dbraw/zinc/99/86/21/948998621.db2.gz YDBNUBAIPGBFAU-SNVBAGLBSA-N -1 3 388.411 0.733 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574435688 948998638 /nfs/dbraw/zinc/99/86/38/948998638.db2.gz YDBNUBAIPGBFAU-SNVBAGLBSA-N -1 3 388.411 0.733 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cc(CN(C)C)on1 ZINC001574690763 949007433 /nfs/dbraw/zinc/00/74/33/949007433.db2.gz RJCLABJHWMQTMD-LLVKDONJSA-N -1 3 385.432 0.932 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cc(CN(C)C)on1 ZINC001574690763 949007449 /nfs/dbraw/zinc/00/74/49/949007449.db2.gz RJCLABJHWMQTMD-LLVKDONJSA-N -1 3 385.432 0.932 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575501290 949008301 /nfs/dbraw/zinc/00/83/01/949008301.db2.gz FJKLRUUBQIHTCR-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575501290 949008313 /nfs/dbraw/zinc/00/83/13/949008313.db2.gz FJKLRUUBQIHTCR-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1)C1CCOCC1 ZINC001573774317 949009889 /nfs/dbraw/zinc/00/98/89/949009889.db2.gz MMFPXFYZKLGJQR-CYBMUJFWSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1)C1CCOCC1 ZINC001573774317 949009914 /nfs/dbraw/zinc/00/99/14/949009914.db2.gz MMFPXFYZKLGJQR-CYBMUJFWSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439891 949019557 /nfs/dbraw/zinc/01/95/57/949019557.db2.gz LPAHZDZHRRMHDF-ZJUUUORDSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439891 949019577 /nfs/dbraw/zinc/01/95/77/949019577.db2.gz LPAHZDZHRRMHDF-ZJUUUORDSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574440097 949021750 /nfs/dbraw/zinc/02/17/50/949021750.db2.gz NJIJNVDQLRMOFT-GXSJLCMTSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440097 949021773 /nfs/dbraw/zinc/02/17/73/949021773.db2.gz NJIJNVDQLRMOFT-GXSJLCMTSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574440118 949023022 /nfs/dbraw/zinc/02/30/22/949023022.db2.gz NTEHPQHTMGAPGI-ONGXEEELSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440118 949023040 /nfs/dbraw/zinc/02/30/40/949023040.db2.gz NTEHPQHTMGAPGI-ONGXEEELSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001574691419 949023801 /nfs/dbraw/zinc/02/38/01/949023801.db2.gz XLJJBGDZPZLDIK-UWVGGRQHSA-N -1 3 383.420 0.202 20 0 GCADHM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001574691419 949023816 /nfs/dbraw/zinc/02/38/16/949023816.db2.gz XLJJBGDZPZLDIK-UWVGGRQHSA-N -1 3 383.420 0.202 20 0 GCADHM CC(C)c1noc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440086 949025031 /nfs/dbraw/zinc/02/50/31/949025031.db2.gz MZEINAHSZXGXPZ-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM CC(C)c1noc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440086 949025053 /nfs/dbraw/zinc/02/50/53/949025053.db2.gz MZEINAHSZXGXPZ-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574926879 949025997 /nfs/dbraw/zinc/02/59/97/949025997.db2.gz CLQKDYKHQIVVGF-LLVKDONJSA-N -1 3 381.400 0.003 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574926879 949025974 /nfs/dbraw/zinc/02/59/74/949025974.db2.gz CLQKDYKHQIVVGF-LLVKDONJSA-N -1 3 381.400 0.003 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574091655 949026340 /nfs/dbraw/zinc/02/63/40/949026340.db2.gz PUYARIPBARSMSS-FZKQIMNGSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574091655 949026361 /nfs/dbraw/zinc/02/63/61/949026361.db2.gz PUYARIPBARSMSS-FZKQIMNGSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575245860 949027200 /nfs/dbraw/zinc/02/72/00/949027200.db2.gz DPXOEGDAHPRIPV-VHSXEESVSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575245860 949027224 /nfs/dbraw/zinc/02/72/24/949027224.db2.gz DPXOEGDAHPRIPV-VHSXEESVSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ncccc1-c1nnn[n-]1 ZINC001574926899 949027887 /nfs/dbraw/zinc/02/78/87/949027887.db2.gz CUQKUPNSFHBNAL-NSHDSACASA-N -1 3 381.400 0.003 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ncccc1-c1nn[n-]n1 ZINC001574926899 949027904 /nfs/dbraw/zinc/02/79/04/949027904.db2.gz CUQKUPNSFHBNAL-NSHDSACASA-N -1 3 381.400 0.003 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001573775039 949032254 /nfs/dbraw/zinc/03/22/54/949032254.db2.gz SJABTXUYXHAYFV-GXTWGEPZSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001573775039 949032275 /nfs/dbraw/zinc/03/22/75/949032275.db2.gz SJABTXUYXHAYFV-GXTWGEPZSA-N -1 3 389.460 0.746 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC001575245984 949035898 /nfs/dbraw/zinc/03/58/98/949035898.db2.gz FXEONWNSPYHIFC-LBPRGKRZSA-N -1 3 388.476 0.707 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC001575245984 949035880 /nfs/dbraw/zinc/03/58/80/949035880.db2.gz FXEONWNSPYHIFC-LBPRGKRZSA-N -1 3 388.476 0.707 20 0 GCADHM CC(C)c1noc(CN[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)n1 ZINC001574440792 949036554 /nfs/dbraw/zinc/03/65/54/949036554.db2.gz UTKQOKXZFSOASR-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CN[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)n1 ZINC001574440792 949036573 /nfs/dbraw/zinc/03/65/73/949036573.db2.gz UTKQOKXZFSOASR-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575503044 949038663 /nfs/dbraw/zinc/03/86/63/949038663.db2.gz NKNLATOFCQMWJR-JSGCOSHPSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575503044 949038683 /nfs/dbraw/zinc/03/86/83/949038683.db2.gz NKNLATOFCQMWJR-JSGCOSHPSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574927263 949039571 /nfs/dbraw/zinc/03/95/71/949039571.db2.gz IGIGLOUXHGHQSE-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574927263 949039545 /nfs/dbraw/zinc/03/95/45/949039545.db2.gz IGIGLOUXHGHQSE-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573775448 949041846 /nfs/dbraw/zinc/04/18/46/949041846.db2.gz WRPJPKLRUOKXBB-MRVPVSSYSA-N -1 3 391.329 0.878 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573775448 949041865 /nfs/dbraw/zinc/04/18/65/949041865.db2.gz WRPJPKLRUOKXBB-MRVPVSSYSA-N -1 3 391.329 0.878 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440887 949042437 /nfs/dbraw/zinc/04/24/37/949042437.db2.gz YGIFXFWVTDUMPX-GXSJLCMTSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440887 949042455 /nfs/dbraw/zinc/04/24/55/949042455.db2.gz YGIFXFWVTDUMPX-GXSJLCMTSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001574092193 949047649 /nfs/dbraw/zinc/04/76/49/949047649.db2.gz QRTCVJOSKOOXKU-KGLIPLIRSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001574092193 949047669 /nfs/dbraw/zinc/04/76/69/949047669.db2.gz QRTCVJOSKOOXKU-KGLIPLIRSA-N -1 3 388.447 0.961 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574927889 949047750 /nfs/dbraw/zinc/04/77/50/949047750.db2.gz MHMWMDFSDYZKSL-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574927889 949047766 /nfs/dbraw/zinc/04/77/66/949047766.db2.gz MHMWMDFSDYZKSL-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575247621 949051040 /nfs/dbraw/zinc/05/10/40/949051040.db2.gz KMCJUFVHTGDPHN-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575247621 949051061 /nfs/dbraw/zinc/05/10/61/949051061.db2.gz KMCJUFVHTGDPHN-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)n1 ZINC001574441224 949051450 /nfs/dbraw/zinc/05/14/50/949051450.db2.gz IBENZWGAZZFBNL-MNOVXSKESA-N -1 3 389.445 0.149 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)n1 ZINC001574441224 949051470 /nfs/dbraw/zinc/05/14/70/949051470.db2.gz IBENZWGAZZFBNL-MNOVXSKESA-N -1 3 389.445 0.149 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574092243 949053146 /nfs/dbraw/zinc/05/31/46/949053146.db2.gz MVWAYRHTBUOBTB-CHWSQXEVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574092243 949053160 /nfs/dbraw/zinc/05/31/60/949053160.db2.gz MVWAYRHTBUOBTB-CHWSQXEVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nsc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574441168 949055328 /nfs/dbraw/zinc/05/53/28/949055328.db2.gz GRDPVQKCJGTVIK-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nsc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574441168 949055351 /nfs/dbraw/zinc/05/53/51/949055351.db2.gz GRDPVQKCJGTVIK-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nsc(CN[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574441275 949057058 /nfs/dbraw/zinc/05/70/58/949057058.db2.gz JAFMUEVWDWDLFQ-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nsc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574441275 949057080 /nfs/dbraw/zinc/05/70/80/949057080.db2.gz JAFMUEVWDWDLFQ-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC/C=C/CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575248260 949064045 /nfs/dbraw/zinc/06/40/45/949064045.db2.gz QBTQRHQYLCRXND-FYJFLYSWSA-N -1 3 386.460 0.897 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC/C=C/CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575248260 949064062 /nfs/dbraw/zinc/06/40/62/949064062.db2.gz QBTQRHQYLCRXND-FYJFLYSWSA-N -1 3 386.460 0.897 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C(N)=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575248297 949067630 /nfs/dbraw/zinc/06/76/30/949067630.db2.gz QKPLNFUXNXYTJW-RYUDHWBXSA-N -1 3 386.460 0.494 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C(N)=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575248297 949067649 /nfs/dbraw/zinc/06/76/49/949067649.db2.gz QKPLNFUXNXYTJW-RYUDHWBXSA-N -1 3 386.460 0.494 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575248447 949070275 /nfs/dbraw/zinc/07/02/75/949070275.db2.gz SMPDMOVEALUCTD-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575248447 949070295 /nfs/dbraw/zinc/07/02/95/949070295.db2.gz SMPDMOVEALUCTD-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574694394 949073350 /nfs/dbraw/zinc/07/33/50/949073350.db2.gz OPPJHCZAIVOAEJ-JTQLQIEISA-N -1 3 381.462 0.344 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574694394 949073367 /nfs/dbraw/zinc/07/33/67/949073367.db2.gz OPPJHCZAIVOAEJ-JTQLQIEISA-N -1 3 381.462 0.344 20 0 GCADHM CC(C)c1nsc(NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574441817 949076134 /nfs/dbraw/zinc/07/61/34/949076134.db2.gz YIPYXUWGQDRLDD-JTQLQIEISA-N -1 3 391.461 0.715 20 0 GCADHM CC(C)c1nsc(NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574441817 949076159 /nfs/dbraw/zinc/07/61/59/949076159.db2.gz YIPYXUWGQDRLDD-JTQLQIEISA-N -1 3 391.461 0.715 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575248866 949080289 /nfs/dbraw/zinc/08/02/89/949080289.db2.gz WQQZGDDZFBDJOZ-VXGBXAGGSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575248866 949080310 /nfs/dbraw/zinc/08/03/10/949080310.db2.gz WQQZGDDZFBDJOZ-VXGBXAGGSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@H](Sc1nc(CC(=O)Nc2cc(-c3nnn[n-]3)ccn2)cs1)C(N)=O ZINC001575504740 949084292 /nfs/dbraw/zinc/08/42/92/949084292.db2.gz WZXHVOJPOXVXEF-ZETCQYMHSA-N -1 3 390.454 0.865 20 0 GCADHM C[C@H](Sc1nc(CC(=O)Nc2cc(-c3nn[n-]n3)ccn2)cs1)C(N)=O ZINC001575504740 949084308 /nfs/dbraw/zinc/08/43/08/949084308.db2.gz WZXHVOJPOXVXEF-ZETCQYMHSA-N -1 3 390.454 0.865 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574442403 949093523 /nfs/dbraw/zinc/09/35/23/949093523.db2.gz NVHYPDDQZIZYMJ-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574442403 949093543 /nfs/dbraw/zinc/09/35/43/949093543.db2.gz NVHYPDDQZIZYMJ-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575249227 949095892 /nfs/dbraw/zinc/09/58/92/949095892.db2.gz XVVKWDVDLHMOAX-LBPRGKRZSA-N -1 3 388.476 0.707 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575249227 949095884 /nfs/dbraw/zinc/09/58/84/949095884.db2.gz XVVKWDVDLHMOAX-LBPRGKRZSA-N -1 3 388.476 0.707 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929499 949098463 /nfs/dbraw/zinc/09/84/63/949098463.db2.gz FMGNFXCZOCZHCT-GFCCVEGCSA-N -1 3 389.460 0.884 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574929499 949098443 /nfs/dbraw/zinc/09/84/43/949098443.db2.gz FMGNFXCZOCZHCT-GFCCVEGCSA-N -1 3 389.460 0.884 20 0 GCADHM CC(C)c1nocc1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574443252 949108515 /nfs/dbraw/zinc/10/85/15/949108515.db2.gz WQPCMYGUIJMUIE-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM CC(C)c1nocc1C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574443252 949108526 /nfs/dbraw/zinc/10/85/26/949108526.db2.gz WQPCMYGUIJMUIE-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)n1cccc1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575250353 949109398 /nfs/dbraw/zinc/10/93/98/949109398.db2.gz FGCGHDIQIWNCCP-NEPJUHHUSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)n1cccc1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575250353 949109414 /nfs/dbraw/zinc/10/94/14/949109414.db2.gz FGCGHDIQIWNCCP-NEPJUHHUSA-N -1 3 382.428 0.834 20 0 GCADHM CC(C)c1nocc1C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1 ZINC001574443482 949109641 /nfs/dbraw/zinc/10/96/41/949109641.db2.gz YYUBWPOCXOAZKG-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM CC(C)c1nocc1C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1 ZINC001574443482 949109658 /nfs/dbraw/zinc/10/96/58/949109658.db2.gz YYUBWPOCXOAZKG-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1ncccc1-c1nnn[n-]1 ZINC001574930718 949111619 /nfs/dbraw/zinc/11/16/19/949111619.db2.gz MBFLBLDYBKXGKA-QWHCGFSZSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1ncccc1-c1nn[n-]n1 ZINC001574930718 949111634 /nfs/dbraw/zinc/11/16/34/949111634.db2.gz MBFLBLDYBKXGKA-QWHCGFSZSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574931186 949115365 /nfs/dbraw/zinc/11/53/65/949115365.db2.gz OHMVGVSNOKJRBP-ONGXEEELSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574931186 949115377 /nfs/dbraw/zinc/11/53/77/949115377.db2.gz OHMVGVSNOKJRBP-ONGXEEELSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574931430 949116827 /nfs/dbraw/zinc/11/68/27/949116827.db2.gz PEFBWLGQHFWNOX-OCCSQVGLSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574931430 949116838 /nfs/dbraw/zinc/11/68/38/949116838.db2.gz PEFBWLGQHFWNOX-OCCSQVGLSA-N -1 3 375.433 0.622 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573782343 949118853 /nfs/dbraw/zinc/11/88/53/949118853.db2.gz SGUGYBYJMFYFDV-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573782343 949118867 /nfs/dbraw/zinc/11/88/67/949118867.db2.gz SGUGYBYJMFYFDV-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001575250980 949121449 /nfs/dbraw/zinc/12/14/49/949121449.db2.gz JPHZHIZKVRWRDB-WDEREUQCSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001575250980 949121437 /nfs/dbraw/zinc/12/14/37/949121437.db2.gz JPHZHIZKVRWRDB-WDEREUQCSA-N -1 3 383.416 0.229 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574446263 949123452 /nfs/dbraw/zinc/12/34/52/949123452.db2.gz MDMNOJIQCXUITD-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574446263 949123460 /nfs/dbraw/zinc/12/34/60/949123460.db2.gz MDMNOJIQCXUITD-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM C[C@H](NC(=O)C1(C(N)=O)CC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575251067 949127171 /nfs/dbraw/zinc/12/71/71/949127171.db2.gz KQPHWHYNKUKUQS-RYUDHWBXSA-N -1 3 384.444 0.248 20 0 GCADHM C[C@H](NC(=O)C1(C(N)=O)CC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575251067 949127178 /nfs/dbraw/zinc/12/71/78/949127178.db2.gz KQPHWHYNKUKUQS-RYUDHWBXSA-N -1 3 384.444 0.248 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574094005 949128393 /nfs/dbraw/zinc/12/83/93/949128393.db2.gz UVMQQERYMWRJHF-NEPJUHHUSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574094005 949128403 /nfs/dbraw/zinc/12/84/03/949128403.db2.gz UVMQQERYMWRJHF-NEPJUHHUSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@@H](CNC(=O)COC1CCCC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574932110 949129528 /nfs/dbraw/zinc/12/95/28/949129528.db2.gz VEJWVZAXVJOHRH-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)COC1CCCC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574932110 949129505 /nfs/dbraw/zinc/12/95/05/949129505.db2.gz VEJWVZAXVJOHRH-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574094222 949132491 /nfs/dbraw/zinc/13/24/91/949132491.db2.gz YEZKWAZIUFKAEY-HOTGVXAUSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574094222 949132513 /nfs/dbraw/zinc/13/25/13/949132513.db2.gz YEZKWAZIUFKAEY-HOTGVXAUSA-N -1 3 384.488 0.792 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575251220 949135322 /nfs/dbraw/zinc/13/53/22/949135322.db2.gz MDQUALUJHWFKJR-ZJUUUORDSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575251220 949135333 /nfs/dbraw/zinc/13/53/33/949135333.db2.gz MDQUALUJHWFKJR-ZJUUUORDSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574932235 949135577 /nfs/dbraw/zinc/13/55/77/949135577.db2.gz WHHOKBCJCLTTMV-TZMCWYRMSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574932235 949135586 /nfs/dbraw/zinc/13/55/86/949135586.db2.gz WHHOKBCJCLTTMV-TZMCWYRMSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@H](c1cccc(F)c1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001575512495 949139461 /nfs/dbraw/zinc/13/94/61/949139461.db2.gz NNOLZIFIZQKIIJ-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602793190 971554242 /nfs/dbraw/zinc/55/42/42/971554242.db2.gz TVANWCKYRWYAMT-MNUAXYBXSA-N -1 3 376.409 0.364 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602793192 971554402 /nfs/dbraw/zinc/55/44/02/971554402.db2.gz TVANWCKYRWYAMT-QJNYJZHLSA-N -1 3 376.409 0.364 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934030 949146810 /nfs/dbraw/zinc/14/68/10/949146810.db2.gz ASEDVJDUSMXLAN-SNVBAGLBSA-N -1 3 389.441 0.817 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934030 949146818 /nfs/dbraw/zinc/14/68/18/949146818.db2.gz ASEDVJDUSMXLAN-SNVBAGLBSA-N -1 3 389.441 0.817 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cccnc1 ZINC001573786900 949153294 /nfs/dbraw/zinc/15/32/94/949153294.db2.gz CUPMXQZXAIPALQ-HUUCEWRRSA-N -1 3 394.439 0.300 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cccnc1 ZINC001573786900 949153306 /nfs/dbraw/zinc/15/33/06/949153306.db2.gz CUPMXQZXAIPALQ-HUUCEWRRSA-N -1 3 394.439 0.300 20 0 GCADHM C[C@@H](NC(=O)C1(CCF)CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575252020 949155542 /nfs/dbraw/zinc/15/55/42/949155542.db2.gz DMQHRJQMDYRWJJ-SNVBAGLBSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](NC(=O)C1(CCF)CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575252020 949155535 /nfs/dbraw/zinc/15/55/35/949155535.db2.gz DMQHRJQMDYRWJJ-SNVBAGLBSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574934410 949158875 /nfs/dbraw/zinc/15/88/75/949158875.db2.gz HOPGIYUGGMYYEF-JTQLQIEISA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252311 949160525 /nfs/dbraw/zinc/16/05/25/949160525.db2.gz FEQVKNSDMSCYTD-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252311 949160536 /nfs/dbraw/zinc/16/05/36/949160536.db2.gz FEQVKNSDMSCYTD-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574447496 949160834 /nfs/dbraw/zinc/16/08/34/949160834.db2.gz QAOMSQSGWBGXNB-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574447496 949160844 /nfs/dbraw/zinc/16/08/44/949160844.db2.gz QAOMSQSGWBGXNB-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001574447731 949168776 /nfs/dbraw/zinc/16/87/76/949168776.db2.gz ZHERZXIBPBFHGA-NEPJUHHUSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001574447731 949168791 /nfs/dbraw/zinc/16/87/91/949168791.db2.gz ZHERZXIBPBFHGA-NEPJUHHUSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)CC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574098888 949170784 /nfs/dbraw/zinc/17/07/84/949170784.db2.gz HFCQZHJDJSXPGV-CQSZACIVSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574098888 949170798 /nfs/dbraw/zinc/17/07/98/949170798.db2.gz HFCQZHJDJSXPGV-CQSZACIVSA-N -1 3 389.460 0.666 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575252700 949170963 /nfs/dbraw/zinc/17/09/63/949170963.db2.gz RBXKTTNRDNNNFE-MNOVXSKESA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575252700 949170978 /nfs/dbraw/zinc/17/09/78/949170978.db2.gz RBXKTTNRDNNNFE-MNOVXSKESA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934633 949172933 /nfs/dbraw/zinc/17/29/33/949172933.db2.gz MPQRGRSZOOSFDR-LBPRGKRZSA-N -1 3 383.412 0.756 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934633 949172942 /nfs/dbraw/zinc/17/29/42/949172942.db2.gz MPQRGRSZOOSFDR-LBPRGKRZSA-N -1 3 383.412 0.756 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)C(F)(F)F ZINC001573787361 949180054 /nfs/dbraw/zinc/18/00/54/949180054.db2.gz VTBZVOSBJDPBFU-ZJUUUORDSA-N -1 3 385.350 0.516 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)C(F)(F)F ZINC001573787361 949180070 /nfs/dbraw/zinc/18/00/70/949180070.db2.gz VTBZVOSBJDPBFU-ZJUUUORDSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575253425 949185676 /nfs/dbraw/zinc/18/56/76/949185676.db2.gz TZMIKRNWYDZXDK-GXFFZTMASA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575253425 949185669 /nfs/dbraw/zinc/18/56/69/949185669.db2.gz TZMIKRNWYDZXDK-GXFFZTMASA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574448871 949191170 /nfs/dbraw/zinc/19/11/70/949191170.db2.gz NYEPUDFFSQMJPZ-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574448871 949191182 /nfs/dbraw/zinc/19/11/82/949191182.db2.gz NYEPUDFFSQMJPZ-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574448829 949192010 /nfs/dbraw/zinc/19/20/10/949192010.db2.gz MZDBOMWFKYYRTF-LLVKDONJSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574448829 949192019 /nfs/dbraw/zinc/19/20/19/949192019.db2.gz MZDBOMWFKYYRTF-LLVKDONJSA-N -1 3 386.416 0.918 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574698391 949192643 /nfs/dbraw/zinc/19/26/43/949192643.db2.gz KDADBHNZOOEUJA-IUCAKERBSA-N -1 3 385.425 0.093 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574698391 949192657 /nfs/dbraw/zinc/19/26/57/949192657.db2.gz KDADBHNZOOEUJA-IUCAKERBSA-N -1 3 385.425 0.093 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574449395 949195559 /nfs/dbraw/zinc/19/55/59/949195559.db2.gz QROVZEYNQPYSOL-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574449395 949195575 /nfs/dbraw/zinc/19/55/75/949195575.db2.gz QROVZEYNQPYSOL-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC[C@@H]1CCCCCN1c1ncccc1-c1nnn[n-]1 ZINC001573788526 949200630 /nfs/dbraw/zinc/20/06/30/949200630.db2.gz LIBGPQJVBHOWSY-LBPRGKRZSA-N -1 3 386.460 0.638 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC[C@@H]1CCCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573788526 949200649 /nfs/dbraw/zinc/20/06/49/949200649.db2.gz LIBGPQJVBHOWSY-LBPRGKRZSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575254323 949200624 /nfs/dbraw/zinc/20/06/24/949200624.db2.gz VJWSDKQGDHORMI-GWCFXTLKSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575254323 949200642 /nfs/dbraw/zinc/20/06/42/949200642.db2.gz VJWSDKQGDHORMI-GWCFXTLKSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575254329 949204083 /nfs/dbraw/zinc/20/40/83/949204083.db2.gz VJWSDKQGDHORMI-GXFFZTMASA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575254329 949204101 /nfs/dbraw/zinc/20/41/01/949204101.db2.gz VJWSDKQGDHORMI-GXFFZTMASA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575254617 949204897 /nfs/dbraw/zinc/20/48/97/949204897.db2.gz NDQAXUBIJBHHRX-GXFFZTMASA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575254617 949204918 /nfs/dbraw/zinc/20/49/18/949204918.db2.gz NDQAXUBIJBHHRX-GXFFZTMASA-N -1 3 391.407 0.290 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001573788651 949205017 /nfs/dbraw/zinc/20/50/17/949205017.db2.gz QYAULUYRHPBPKC-NEPJUHHUSA-N -1 3 384.444 0.343 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001573788651 949205044 /nfs/dbraw/zinc/20/50/44/949205044.db2.gz QYAULUYRHPBPKC-NEPJUHHUSA-N -1 3 384.444 0.343 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573788721 949210976 /nfs/dbraw/zinc/21/09/76/949210976.db2.gz URGOFPLEMZTZRD-JTQLQIEISA-N -1 3 376.396 0.315 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573788721 949210993 /nfs/dbraw/zinc/21/09/93/949210993.db2.gz URGOFPLEMZTZRD-JTQLQIEISA-N -1 3 376.396 0.315 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573788832 949212944 /nfs/dbraw/zinc/21/29/44/949212944.db2.gz ZNLBQXICDBPMAB-JTQLQIEISA-N -1 3 375.408 0.920 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573788832 949212965 /nfs/dbraw/zinc/21/29/65/949212965.db2.gz ZNLBQXICDBPMAB-JTQLQIEISA-N -1 3 375.408 0.920 20 0 GCADHM CC(C)c1oncc1C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574451178 949217062 /nfs/dbraw/zinc/21/70/62/949217062.db2.gz GCAVPYVTCKQXJH-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574451178 949217081 /nfs/dbraw/zinc/21/70/81/949217081.db2.gz GCAVPYVTCKQXJH-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001589604215 949218952 /nfs/dbraw/zinc/21/89/52/949218952.db2.gz AERUZLVTYXHTOH-IBGZPJMESA-N -1 3 377.441 0.744 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576151486 949219183 /nfs/dbraw/zinc/21/91/83/949219183.db2.gz FUSRMINIPZLWER-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576151486 949219209 /nfs/dbraw/zinc/21/92/09/949219209.db2.gz FUSRMINIPZLWER-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C)C(=O)N1CCC(N(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573791557 949220747 /nfs/dbraw/zinc/22/07/47/949220747.db2.gz BXBGYVVBXZRVFO-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)(C)C(=O)N1CCC(N(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573791557 949220766 /nfs/dbraw/zinc/22/07/66/949220766.db2.gz BXBGYVVBXZRVFO-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574103093 949222647 /nfs/dbraw/zinc/22/26/47/949222647.db2.gz KDHNEYIYYIXPBF-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574103093 949222667 /nfs/dbraw/zinc/22/26/67/949222667.db2.gz KDHNEYIYYIXPBF-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574699147 949226592 /nfs/dbraw/zinc/22/65/92/949226592.db2.gz SZUSDCHCBNFTPG-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574699147 949226612 /nfs/dbraw/zinc/22/66/12/949226612.db2.gz SZUSDCHCBNFTPG-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM CC1(Nc2cccc(F)c2-c2nnn[n-]2)CCN(C(=O)Cn2ncnn2)CC1 ZINC001575854094 949229273 /nfs/dbraw/zinc/22/92/73/949229273.db2.gz SIOVKCDPQFCSEY-UHFFFAOYSA-N -1 3 386.395 0.486 20 0 GCADHM CC1(Nc2cccc(F)c2-c2nn[n-]n2)CCN(C(=O)Cn2ncnn2)CC1 ZINC001575854094 949229296 /nfs/dbraw/zinc/22/92/96/949229296.db2.gz SIOVKCDPQFCSEY-UHFFFAOYSA-N -1 3 386.395 0.486 20 0 GCADHM C[C@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575255430 949230485 /nfs/dbraw/zinc/23/04/85/949230485.db2.gz QCRDHYNERCXKER-JTQLQIEISA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575255430 949230501 /nfs/dbraw/zinc/23/05/01/949230501.db2.gz QCRDHYNERCXKER-JTQLQIEISA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574937668 949232611 /nfs/dbraw/zinc/23/26/11/949232611.db2.gz PLCRSSRHWVJMFK-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(F)cc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574937668 949232613 /nfs/dbraw/zinc/23/26/13/949232613.db2.gz PLCRSSRHWVJMFK-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)(C)C(=O)N1CCC(N(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573791932 949234717 /nfs/dbraw/zinc/23/47/17/949234717.db2.gz IIXUTXRGMRWAJJ-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)(C)C(=O)N1CCC(N(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573791932 949234735 /nfs/dbraw/zinc/23/47/35/949234735.db2.gz IIXUTXRGMRWAJJ-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM C[C@@H](NC(=O)[C@]1(F)CCOC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575255562 949238713 /nfs/dbraw/zinc/23/87/13/949238713.db2.gz RAWWMQSPGFKZRN-HWPZZCPQSA-N -1 3 380.449 0.993 20 0 GCADHM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574938457 949239745 /nfs/dbraw/zinc/23/97/45/949239745.db2.gz WLVWAGIEWOFREM-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)Cc1cc(F)ccc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574938457 949239764 /nfs/dbraw/zinc/23/97/64/949239764.db2.gz WLVWAGIEWOFREM-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574938384 949244143 /nfs/dbraw/zinc/24/41/43/949244143.db2.gz UNZROMBPPGDQHX-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574938384 949244162 /nfs/dbraw/zinc/24/41/62/949244162.db2.gz UNZROMBPPGDQHX-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575520957 949247311 /nfs/dbraw/zinc/24/73/11/949247311.db2.gz BARFCOUEWYFFBH-HKWIRBFKSA-N -1 3 385.457 0.715 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575520957 949247329 /nfs/dbraw/zinc/24/73/29/949247329.db2.gz BARFCOUEWYFFBH-HKWIRBFKSA-N -1 3 385.457 0.715 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001574451940 949247778 /nfs/dbraw/zinc/24/77/78/949247778.db2.gz BFJXDFUKECVJOV-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001574451940 949247795 /nfs/dbraw/zinc/24/77/95/949247795.db2.gz BFJXDFUKECVJOV-ZDUSSCGKSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nncn1C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575520974 949248498 /nfs/dbraw/zinc/24/84/98/949248498.db2.gz BHQBLOLKCFYNQZ-GFCCVEGCSA-N -1 3 386.464 0.867 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nncn1C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575520974 949248521 /nfs/dbraw/zinc/24/85/21/949248521.db2.gz BHQBLOLKCFYNQZ-GFCCVEGCSA-N -1 3 386.464 0.867 20 0 GCADHM CC(C)n1cc(C(=O)N(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001574451942 949249770 /nfs/dbraw/zinc/24/97/70/949249770.db2.gz BHJIGWHNJAYQCC-UHFFFAOYSA-N -1 3 386.420 0.211 20 0 GCADHM CC(C)n1cc(C(=O)N(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001574451942 949249790 /nfs/dbraw/zinc/24/97/90/949249790.db2.gz BHJIGWHNJAYQCC-UHFFFAOYSA-N -1 3 386.420 0.211 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575521190 949251705 /nfs/dbraw/zinc/25/17/05/949251705.db2.gz DHACPSMIOZQYCX-WCQYABFASA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575521190 949251717 /nfs/dbraw/zinc/25/17/17/949251717.db2.gz DHACPSMIOZQYCX-WCQYABFASA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)n1cc(C(=O)NCC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001574452208 949251859 /nfs/dbraw/zinc/25/18/59/949251859.db2.gz GGTXYTPHZRIOBN-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1cc(C(=O)NCC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001574452208 949251874 /nfs/dbraw/zinc/25/18/74/949251874.db2.gz GGTXYTPHZRIOBN-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574700255 949254642 /nfs/dbraw/zinc/25/46/42/949254642.db2.gz YJJZNHDCIFHCPK-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574700255 949254659 /nfs/dbraw/zinc/25/46/59/949254659.db2.gz YJJZNHDCIFHCPK-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@]1(c2cccc(CNC(=O)c3csc(-c4nnn[n-]4)c3)c2)NC(=O)NC1=O ZINC001575856708 949255628 /nfs/dbraw/zinc/25/56/28/949255628.db2.gz IXKZBAKSKPVANH-KRWDZBQOSA-N -1 3 397.420 0.913 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575521206 949256181 /nfs/dbraw/zinc/25/61/81/949256181.db2.gz DJXXVYJJUPPURD-LLVKDONJSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575521206 949256199 /nfs/dbraw/zinc/25/61/99/949256199.db2.gz DJXXVYJJUPPURD-LLVKDONJSA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001574452251 949258070 /nfs/dbraw/zinc/25/80/70/949258070.db2.gz HSUPWRJVDTYXGN-NSHDSACASA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001574452251 949258086 /nfs/dbraw/zinc/25/80/86/949258086.db2.gz HSUPWRJVDTYXGN-NSHDSACASA-N -1 3 384.404 0.012 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576152659 949258327 /nfs/dbraw/zinc/25/83/27/949258327.db2.gz KBVXPAYFWOPUGZ-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576152659 949258348 /nfs/dbraw/zinc/25/83/48/949258348.db2.gz KBVXPAYFWOPUGZ-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573792640 949260514 /nfs/dbraw/zinc/26/05/14/949260514.db2.gz BWFVUDYVIKNBPG-HNNXBMFYSA-N -1 3 386.456 0.799 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573792640 949260536 /nfs/dbraw/zinc/26/05/36/949260536.db2.gz BWFVUDYVIKNBPG-HNNXBMFYSA-N -1 3 386.456 0.799 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575256890 949262760 /nfs/dbraw/zinc/26/27/60/949262760.db2.gz XMOZAOFSPRUMKP-WDEREUQCSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575256890 949262780 /nfs/dbraw/zinc/26/27/80/949262780.db2.gz XMOZAOFSPRUMKP-WDEREUQCSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575256884 949264112 /nfs/dbraw/zinc/26/41/12/949264112.db2.gz XMOZAOFSPRUMKP-GHMZBOCLSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575256884 949264133 /nfs/dbraw/zinc/26/41/33/949264133.db2.gz XMOZAOFSPRUMKP-GHMZBOCLSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)(C)C(=O)N1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nnn[n-]3)[nH]1)O2 ZINC001573792713 949265082 /nfs/dbraw/zinc/26/50/82/949265082.db2.gz UGJXWLAWTBIBDB-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)N1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nn[n-]n3)[nH]1)O2 ZINC001573792713 949265103 /nfs/dbraw/zinc/26/51/03/949265103.db2.gz UGJXWLAWTBIBDB-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574105470 949265144 /nfs/dbraw/zinc/26/51/44/949265144.db2.gz BYOUYBWSNFYGLV-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574105470 949265166 /nfs/dbraw/zinc/26/51/66/949265166.db2.gz BYOUYBWSNFYGLV-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575522001 949267333 /nfs/dbraw/zinc/26/73/33/949267333.db2.gz JPONCRHOVNLNJC-NWDGAFQWSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575522001 949267349 /nfs/dbraw/zinc/26/73/49/949267349.db2.gz JPONCRHOVNLNJC-NWDGAFQWSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574940572 949269487 /nfs/dbraw/zinc/26/94/87/949269487.db2.gz HDUONPARXBSFJU-SFHVURJKSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574940572 949269511 /nfs/dbraw/zinc/26/95/11/949269511.db2.gz HDUONPARXBSFJU-SFHVURJKSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574702104 949273056 /nfs/dbraw/zinc/27/30/56/949273056.db2.gz GRGOCEGGHZNDBB-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574702104 949273074 /nfs/dbraw/zinc/27/30/74/949273074.db2.gz GRGOCEGGHZNDBB-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cn1 ZINC001574452959 949275383 /nfs/dbraw/zinc/27/53/83/949275383.db2.gz SPRVNTNLTNQYOT-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cn1 ZINC001574452959 949275405 /nfs/dbraw/zinc/27/54/05/949275405.db2.gz SPRVNTNLTNQYOT-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153150 949275522 /nfs/dbraw/zinc/27/55/22/949275522.db2.gz KYBVLRQWCKZCDF-TZMCWYRMSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153150 949275545 /nfs/dbraw/zinc/27/55/45/949275545.db2.gz KYBVLRQWCKZCDF-TZMCWYRMSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575522524 949279513 /nfs/dbraw/zinc/27/95/13/949279513.db2.gz MGUUJJZDMRXNNY-PWSUYJOCSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575522524 949279537 /nfs/dbraw/zinc/27/95/37/949279537.db2.gz MGUUJJZDMRXNNY-PWSUYJOCSA-N -1 3 385.436 0.016 20 0 GCADHM CC(C)(C)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001573792972 949279592 /nfs/dbraw/zinc/27/95/92/949279592.db2.gz ZFPCBZWBAHYXHB-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001573792972 949279613 /nfs/dbraw/zinc/27/96/13/949279613.db2.gz ZFPCBZWBAHYXHB-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576153181 949280716 /nfs/dbraw/zinc/28/07/16/949280716.db2.gz LEOMLQRZODJLPQ-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576153181 949280732 /nfs/dbraw/zinc/28/07/32/949280732.db2.gz LEOMLQRZODJLPQ-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](c1nncn1C)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522542 949281072 /nfs/dbraw/zinc/28/10/72/949281072.db2.gz MNEZEBPLMGLTQG-VXGBXAGGSA-N -1 3 384.448 0.526 20 0 GCADHM C[C@H](c1nncn1C)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522542 949281095 /nfs/dbraw/zinc/28/10/95/949281095.db2.gz MNEZEBPLMGLTQG-VXGBXAGGSA-N -1 3 384.448 0.526 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCC1(F)F)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575257823 949284497 /nfs/dbraw/zinc/28/44/97/949284497.db2.gz CBSIGDDWQZHBTG-WCBMZHEXSA-N -1 3 379.371 0.817 20 0 GCADHM 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GCADHM CC(C)CC(=O)N[C@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574111408 949379953 /nfs/dbraw/zinc/37/99/53/949379953.db2.gz HEHHWQNXTIXQRY-BXUZGUMPSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575262766 949380339 /nfs/dbraw/zinc/38/03/39/949380339.db2.gz CAWZZCRIYVUSSZ-GHMZBOCLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575262766 949380361 /nfs/dbraw/zinc/38/03/61/949380361.db2.gz CAWZZCRIYVUSSZ-GHMZBOCLSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573799948 949383233 /nfs/dbraw/zinc/38/32/33/949383233.db2.gz RRTGXVJZBMFURT-GFCCVEGCSA-N -1 3 386.460 0.684 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573799948 949383255 /nfs/dbraw/zinc/38/32/55/949383255.db2.gz RRTGXVJZBMFURT-GFCCVEGCSA-N -1 3 386.460 0.684 20 0 GCADHM CC1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCCC1 ZINC001575527937 949385413 /nfs/dbraw/zinc/38/54/13/949385413.db2.gz JUFDFXRKEISYRI-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCCC1 ZINC001575527937 949385433 /nfs/dbraw/zinc/38/54/33/949385433.db2.gz JUFDFXRKEISYRI-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573800309 949393165 /nfs/dbraw/zinc/39/31/65/949393165.db2.gz XIDOUHXDEQIJET-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573800309 949393187 /nfs/dbraw/zinc/39/31/87/949393187.db2.gz XIDOUHXDEQIJET-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc[nH]n1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574944527 949393501 /nfs/dbraw/zinc/39/35/01/949393501.db2.gz DMZHSUJEZIQUIM-LURJTMIESA-N -1 3 382.841 0.278 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263336 949393610 /nfs/dbraw/zinc/39/36/10/949393610.db2.gz GEIQXBNVUQYGLF-OTYXRUKQSA-N -1 3 389.391 0.051 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575263277 949393788 /nfs/dbraw/zinc/39/37/88/949393788.db2.gz FMUGFMCRMLUQCF-FZMZJTMJSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575263277 949393810 /nfs/dbraw/zinc/39/38/10/949393810.db2.gz FMUGFMCRMLUQCF-FZMZJTMJSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263334 949394950 /nfs/dbraw/zinc/39/49/50/949394950.db2.gz GEIQXBNVUQYGLF-LKFCYVNXSA-N -1 3 389.391 0.051 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573800561 949394894 /nfs/dbraw/zinc/39/48/94/949394894.db2.gz YVOYKSROJPLAIL-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573800561 949394916 /nfs/dbraw/zinc/39/49/16/949394916.db2.gz YVOYKSROJPLAIL-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573800504 949395264 /nfs/dbraw/zinc/39/52/64/949395264.db2.gz XTUAFCUHQNTLQD-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573800504 949395283 /nfs/dbraw/zinc/39/52/83/949395283.db2.gz XTUAFCUHQNTLQD-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)c1 ZINC001574464104 949395375 /nfs/dbraw/zinc/39/53/75/949395375.db2.gz FBRJCNXGDJJRKY-LLVKDONJSA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)c1 ZINC001574464104 949395398 /nfs/dbraw/zinc/39/53/98/949395398.db2.gz FBRJCNXGDJJRKY-LLVKDONJSA-N -1 3 389.395 0.381 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574704576 949396562 /nfs/dbraw/zinc/39/65/62/949396562.db2.gz DBEVAZLOHNQGTD-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704576 949396584 /nfs/dbraw/zinc/39/65/84/949396584.db2.gz DBEVAZLOHNQGTD-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575866140 949397731 /nfs/dbraw/zinc/39/77/31/949397731.db2.gz DPLASTIYBAVFMD-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575866140 949397749 /nfs/dbraw/zinc/39/77/49/949397749.db2.gz DPLASTIYBAVFMD-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575866143 949398975 /nfs/dbraw/zinc/39/89/75/949398975.db2.gz DPLASTIYBAVFMD-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575866143 949398996 /nfs/dbraw/zinc/39/89/96/949398996.db2.gz DPLASTIYBAVFMD-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575263728 949402990 /nfs/dbraw/zinc/40/29/90/949402990.db2.gz JBMNYCHAWURSHS-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575263728 949402998 /nfs/dbraw/zinc/40/29/98/949402998.db2.gz JBMNYCHAWURSHS-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001575866286 949403590 /nfs/dbraw/zinc/40/35/90/949403590.db2.gz RCLRBZLDNIVQMT-UHFFFAOYSA-N -1 3 389.441 0.403 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001575866286 949403602 /nfs/dbraw/zinc/40/36/02/949403602.db2.gz RCLRBZLDNIVQMT-UHFFFAOYSA-N -1 3 389.441 0.403 20 0 GCADHM CC(C)CC(=O)N[C@]1(CO)CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001574114123 949408306 /nfs/dbraw/zinc/40/83/06/949408306.db2.gz RFAKIZGIPZAXIO-QGZVFWFLSA-N -1 3 377.424 0.894 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575263799 949408399 /nfs/dbraw/zinc/40/83/99/949408399.db2.gz JSAIPFMYYTYEQA-LLVKDONJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575263799 949408414 /nfs/dbraw/zinc/40/84/14/949408414.db2.gz JSAIPFMYYTYEQA-LLVKDONJSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CC(=O)N[C@]1(CO)CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001574114123 949408316 /nfs/dbraw/zinc/40/83/16/949408316.db2.gz RFAKIZGIPZAXIO-QGZVFWFLSA-N -1 3 377.424 0.894 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575263882 949411301 /nfs/dbraw/zinc/41/13/01/949411301.db2.gz KSWRAXFEUIEJAG-SMDDNHRTSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575263882 949411318 /nfs/dbraw/zinc/41/13/18/949411318.db2.gz KSWRAXFEUIEJAG-SMDDNHRTSA-N -1 3 389.460 0.977 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001575866493 949412930 /nfs/dbraw/zinc/41/29/30/949412930.db2.gz UFEDGDLTHYLGCD-UHFFFAOYSA-N -1 3 379.377 0.157 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001575866493 949412945 /nfs/dbraw/zinc/41/29/45/949412945.db2.gz UFEDGDLTHYLGCD-UHFFFAOYSA-N -1 3 379.377 0.157 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576155594 949415330 /nfs/dbraw/zinc/41/53/30/949415330.db2.gz VLUQPBWWLDDLAS-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576155594 949415349 /nfs/dbraw/zinc/41/53/49/949415349.db2.gz VLUQPBWWLDDLAS-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM CC1(C(=O)N2CC[C@@H](N3CCN(c4ccnc(-c5nn[n-]n5)n4)CC3)C2)CC1 ZINC001575533222 949416266 /nfs/dbraw/zinc/41/62/66/949416266.db2.gz FJLRCQLGYKTAQW-CYBMUJFWSA-N -1 3 383.460 0.180 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575264209 949418982 /nfs/dbraw/zinc/41/89/82/949418982.db2.gz MXDHEYVUBQJZET-LLVKDONJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575264209 949418994 /nfs/dbraw/zinc/41/89/94/949418994.db2.gz MXDHEYVUBQJZET-LLVKDONJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575866610 949419316 /nfs/dbraw/zinc/41/93/16/949419316.db2.gz HDGCEXDBIZNJJX-SCZZXKLOSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575866610 949419328 /nfs/dbraw/zinc/41/93/28/949419328.db2.gz HDGCEXDBIZNJJX-SCZZXKLOSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575533768 949419443 /nfs/dbraw/zinc/41/94/43/949419443.db2.gz IOMXTIDHMRKPIW-KPZWWZAWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575533768 949419458 /nfs/dbraw/zinc/41/94/58/949419458.db2.gz IOMXTIDHMRKPIW-KPZWWZAWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575264222 949420291 /nfs/dbraw/zinc/42/02/91/949420291.db2.gz NAIIITRCFINUFX-SMDDNHRTSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575264222 949420306 /nfs/dbraw/zinc/42/03/06/949420306.db2.gz NAIIITRCFINUFX-SMDDNHRTSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575866612 949420992 /nfs/dbraw/zinc/42/09/92/949420992.db2.gz HDGCEXDBIZNJJX-WPRPVWTQSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575866612 949421001 /nfs/dbraw/zinc/42/10/01/949421001.db2.gz HDGCEXDBIZNJJX-WPRPVWTQSA-N -1 3 379.371 0.959 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001574465053 949423528 /nfs/dbraw/zinc/42/35/28/949423528.db2.gz UYTFUMCDFMCRGI-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001574465053 949423544 /nfs/dbraw/zinc/42/35/44/949423544.db2.gz UYTFUMCDFMCRGI-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CC12CCOCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574705485 949425944 /nfs/dbraw/zinc/42/59/44/949425944.db2.gz UATORWQPWQPYMR-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CC12CCOCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574705485 949425957 /nfs/dbraw/zinc/42/59/57/949425957.db2.gz UATORWQPWQPYMR-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1cnc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)c1 ZINC001574465066 949428119 /nfs/dbraw/zinc/42/81/19/949428119.db2.gz VRPXELIBGGYLSQ-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1cnc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)c1 ZINC001574465066 949428132 /nfs/dbraw/zinc/42/81/32/949428132.db2.gz VRPXELIBGGYLSQ-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574946210 949428254 /nfs/dbraw/zinc/42/82/54/949428254.db2.gz SSCCKMAUIPSHMX-SNVBAGLBSA-N -1 3 385.436 0.163 20 0 GCADHM C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574946210 949428267 /nfs/dbraw/zinc/42/82/67/949428267.db2.gz SSCCKMAUIPSHMX-SNVBAGLBSA-N -1 3 385.436 0.163 20 0 GCADHM CC(C)n1cnc(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC001574465073 949428563 /nfs/dbraw/zinc/42/85/63/949428563.db2.gz WIHNMLKJIQUYFQ-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)n1cnc(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC001574465073 949428575 /nfs/dbraw/zinc/42/85/75/949428575.db2.gz WIHNMLKJIQUYFQ-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM C[C@H]1[C@@H](CO)CCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC001575867393 949433476 /nfs/dbraw/zinc/43/34/76/949433476.db2.gz JMZWSMBETVTGDF-QWHCGFSZSA-N -1 3 382.428 0.694 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001573803235 949436680 /nfs/dbraw/zinc/43/66/80/949436680.db2.gz OMDPGFBWLMGQQX-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001573803235 949436685 /nfs/dbraw/zinc/43/66/85/949436685.db2.gz OMDPGFBWLMGQQX-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCNC1=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575264990 949436959 /nfs/dbraw/zinc/43/69/59/949436959.db2.gz RKRLJEAYVHNVAK-IINYFYTJSA-N -1 3 387.419 0.078 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1COCCO1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575264957 949440057 /nfs/dbraw/zinc/44/00/57/949440057.db2.gz RFNMGOQRUFMILY-MFKMUULPSA-N -1 3 378.458 0.280 20 0 GCADHM CC(C)n1cnc(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001574465483 949440388 /nfs/dbraw/zinc/44/03/88/949440388.db2.gz ZEVRBUPAFHGNLL-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)n1cnc(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001574465483 949440402 /nfs/dbraw/zinc/44/04/02/949440402.db2.gz ZEVRBUPAFHGNLL-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM C[C@](CNC(=O)Cc1cnoc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574947119 949444027 /nfs/dbraw/zinc/44/40/27/949444027.db2.gz ZNFFYKJKVHBUEP-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)Cc1cnoc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574947119 949444034 /nfs/dbraw/zinc/44/40/34/949444034.db2.gz ZNFFYKJKVHBUEP-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575265290 949447888 /nfs/dbraw/zinc/44/78/88/949447888.db2.gz TWUGMOSSRPQXOB-WDEREUQCSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575265290 949447895 /nfs/dbraw/zinc/44/78/95/949447895.db2.gz TWUGMOSSRPQXOB-WDEREUQCSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574947605 949454827 /nfs/dbraw/zinc/45/48/27/949454827.db2.gz DCSYNGFHTMBVBJ-LBPRGKRZSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574947605 949454841 /nfs/dbraw/zinc/45/48/41/949454841.db2.gz DCSYNGFHTMBVBJ-LBPRGKRZSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)c1 ZINC001574468100 949459443 /nfs/dbraw/zinc/45/94/43/949459443.db2.gz JLFMBWRSBPNADM-VIKVFOODSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)c1 ZINC001574468100 949459458 /nfs/dbraw/zinc/45/94/58/949459458.db2.gz JLFMBWRSBPNADM-VIKVFOODSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001574468534 949460937 /nfs/dbraw/zinc/46/09/37/949460937.db2.gz OJHQSJVHTWGGMP-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001574468534 949460958 /nfs/dbraw/zinc/46/09/58/949460958.db2.gz OJHQSJVHTWGGMP-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)c1 ZINC001574468503 949461717 /nfs/dbraw/zinc/46/17/17/949461717.db2.gz MUSJPZVXSFPXBV-VIKVFOODSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)c1 ZINC001574468503 949461730 /nfs/dbraw/zinc/46/17/30/949461730.db2.gz MUSJPZVXSFPXBV-VIKVFOODSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574468499 949462904 /nfs/dbraw/zinc/46/29/04/949462904.db2.gz MLTKUYMMMUSWSC-CYBMUJFWSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574468499 949462929 /nfs/dbraw/zinc/46/29/29/949462929.db2.gz MLTKUYMMMUSWSC-CYBMUJFWSA-N -1 3 385.432 0.584 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575536385 949465969 /nfs/dbraw/zinc/46/59/69/949465969.db2.gz HZGQZEJVEQSBNT-ZMZPIMSZSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575536385 949465985 /nfs/dbraw/zinc/46/59/85/949465985.db2.gz HZGQZEJVEQSBNT-ZMZPIMSZSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574707306 949467260 /nfs/dbraw/zinc/46/72/60/949467260.db2.gz OOZYIVINLYTGSS-SMDDNHRTSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574707306 949467272 /nfs/dbraw/zinc/46/72/72/949467272.db2.gz OOZYIVINLYTGSS-SMDDNHRTSA-N -1 3 387.448 0.454 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)c1 ZINC001574468834 949468365 /nfs/dbraw/zinc/46/83/65/949468365.db2.gz TZOWPWXYPBPPPK-TZMCWYRMSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c1 ZINC001574468834 949468375 /nfs/dbraw/zinc/46/83/75/949468375.db2.gz TZOWPWXYPBPPPK-TZMCWYRMSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC001573804600 949470251 /nfs/dbraw/zinc/47/02/51/949470251.db2.gz XKWOEDKSWMARIC-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC001573804600 949470266 /nfs/dbraw/zinc/47/02/66/949470266.db2.gz XKWOEDKSWMARIC-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576157173 949473713 /nfs/dbraw/zinc/47/37/13/949473713.db2.gz YXNFJASMGBSJTH-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576157173 949473731 /nfs/dbraw/zinc/47/37/31/949473731.db2.gz YXNFJASMGBSJTH-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ncccc1-c1nnn[n-]1 ZINC001574707820 949474924 /nfs/dbraw/zinc/47/49/24/949474924.db2.gz QPMQCSRGABALOD-QWRGUYRKSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ncccc1-c1nn[n-]n1 ZINC001574707820 949474935 /nfs/dbraw/zinc/47/49/35/949474935.db2.gz QPMQCSRGABALOD-QWRGUYRKSA-N -1 3 382.432 0.759 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574469216 949476105 /nfs/dbraw/zinc/47/61/05/949476105.db2.gz YWLIBYJCYYOMGY-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574469216 949476118 /nfs/dbraw/zinc/47/61/18/949476118.db2.gz YWLIBYJCYYOMGY-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573805833 949476319 /nfs/dbraw/zinc/47/63/19/949476319.db2.gz AEBNHNLTYIHHFX-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573805833 949476330 /nfs/dbraw/zinc/47/63/30/949476330.db2.gz AEBNHNLTYIHHFX-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)n1nccc1C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1 ZINC001574469259 949477863 /nfs/dbraw/zinc/47/78/63/949477863.db2.gz ZTUWIHSBQMJLTP-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM CC(C)n1nccc1C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1 ZINC001574469259 949477881 /nfs/dbraw/zinc/47/78/81/949477881.db2.gz ZTUWIHSBQMJLTP-UHFFFAOYSA-N -1 3 385.432 0.586 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574949093 949482417 /nfs/dbraw/zinc/48/24/17/949482417.db2.gz QPUCKBKEMACXSA-SECBINFHSA-N -1 3 386.395 0.487 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574949093 949482435 /nfs/dbraw/zinc/48/24/35/949482435.db2.gz QPUCKBKEMACXSA-SECBINFHSA-N -1 3 386.395 0.487 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573806506 949488207 /nfs/dbraw/zinc/48/82/07/949488207.db2.gz QURDHHBSSKHKSS-JTQLQIEISA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573806506 949488221 /nfs/dbraw/zinc/48/82/21/949488221.db2.gz QURDHHBSSKHKSS-JTQLQIEISA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575266832 949488503 /nfs/dbraw/zinc/48/85/03/949488503.db2.gz FGZBLNPRJNRTGR-VHSXEESVSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575266832 949488521 /nfs/dbraw/zinc/48/85/21/949488521.db2.gz FGZBLNPRJNRTGR-VHSXEESVSA-N -1 3 379.446 0.002 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H](O)C2)CCCC1 ZINC001575537201 949490075 /nfs/dbraw/zinc/49/00/75/949490075.db2.gz SZSCKXUJKFUSMV-SMDDNHRTSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H](O)C2)CCCC1 ZINC001575537201 949490092 /nfs/dbraw/zinc/49/00/92/949490092.db2.gz SZSCKXUJKFUSMV-SMDDNHRTSA-N -1 3 387.444 0.467 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573806487 949490338 /nfs/dbraw/zinc/49/03/38/949490338.db2.gz PPPAIXXPPTVFHO-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573806487 949490351 /nfs/dbraw/zinc/49/03/51/949490351.db2.gz PPPAIXXPPTVFHO-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576157721 949492266 /nfs/dbraw/zinc/49/22/66/949492266.db2.gz RSMYJIHHDGUZKG-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576157721 949492282 /nfs/dbraw/zinc/49/22/82/949492282.db2.gz RSMYJIHHDGUZKG-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574470385 949496825 /nfs/dbraw/zinc/49/68/25/949496825.db2.gz BWBJNZZGIRWAPX-NXEZZACHSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574470385 949496836 /nfs/dbraw/zinc/49/68/36/949496836.db2.gz BWBJNZZGIRWAPX-NXEZZACHSA-N -1 3 378.412 0.712 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574470419 949498157 /nfs/dbraw/zinc/49/81/57/949498157.db2.gz PUNOOYFJGZMHJD-NSHDSACASA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574470419 949498175 /nfs/dbraw/zinc/49/81/75/949498175.db2.gz PUNOOYFJGZMHJD-NSHDSACASA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)COCC1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573807927 949499552 /nfs/dbraw/zinc/49/95/52/949499552.db2.gz AEUOSKXNAMNNQU-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)COCC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573807927 949499571 /nfs/dbraw/zinc/49/95/71/949499571.db2.gz AEUOSKXNAMNNQU-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573807986 949501755 /nfs/dbraw/zinc/50/17/55/949501755.db2.gz BUPFNLPWRRUYFS-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573807986 949501776 /nfs/dbraw/zinc/50/17/76/949501776.db2.gz BUPFNLPWRRUYFS-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccnnc1 ZINC001573807979 949503148 /nfs/dbraw/zinc/50/31/48/949503148.db2.gz BPAGRPYNYLCHKT-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccnnc1 ZINC001573807979 949503158 /nfs/dbraw/zinc/50/31/58/949503158.db2.gz BPAGRPYNYLCHKT-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575537909 949506025 /nfs/dbraw/zinc/50/60/25/949506025.db2.gz BRFFBHHOXUMXSR-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575537909 949506046 /nfs/dbraw/zinc/50/60/46/949506046.db2.gz BRFFBHHOXUMXSR-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnsn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808143 949506331 /nfs/dbraw/zinc/50/63/31/949506331.db2.gz CYZCDHOKISDJGM-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnsn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808143 949506347 /nfs/dbraw/zinc/50/63/47/949506347.db2.gz CYZCDHOKISDJGM-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCCO1 ZINC001573808150 949506395 /nfs/dbraw/zinc/50/63/95/949506395.db2.gz DAYGSULLGBOKHO-OLZOCXBDSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCO1 ZINC001573808150 949506412 /nfs/dbraw/zinc/50/64/12/949506412.db2.gz DAYGSULLGBOKHO-OLZOCXBDSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnsn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808144 949509186 /nfs/dbraw/zinc/50/91/86/949509186.db2.gz CYZCDHOKISDJGM-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnsn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808144 949509200 /nfs/dbraw/zinc/50/92/00/949509200.db2.gz CYZCDHOKISDJGM-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001573808152 949509414 /nfs/dbraw/zinc/50/94/14/949509414.db2.gz DAYGSULLGBOKHO-STQMWFEESA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001573808152 949509431 /nfs/dbraw/zinc/50/94/31/949509431.db2.gz DAYGSULLGBOKHO-STQMWFEESA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)COCC1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808030 949509802 /nfs/dbraw/zinc/50/98/02/949509802.db2.gz COGIDDXBVBJKKX-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)COCC1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808030 949509817 /nfs/dbraw/zinc/50/98/17/949509817.db2.gz COGIDDXBVBJKKX-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)CC1(O)CCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808156 949510131 /nfs/dbraw/zinc/51/01/31/949510131.db2.gz DBYMZYZIVWENPU-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)CC1(O)CCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808156 949510146 /nfs/dbraw/zinc/51/01/46/949510146.db2.gz DBYMZYZIVWENPU-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808376 949511409 /nfs/dbraw/zinc/51/14/09/949511409.db2.gz FRVIOICBEQZLGB-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808376 949511427 /nfs/dbraw/zinc/51/14/27/949511427.db2.gz FRVIOICBEQZLGB-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575267994 949511656 /nfs/dbraw/zinc/51/16/56/949511656.db2.gz LEXUMXAKPPPCJO-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575267994 949511676 /nfs/dbraw/zinc/51/16/76/949511676.db2.gz LEXUMXAKPPPCJO-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574120885 949512408 /nfs/dbraw/zinc/51/24/08/949512408.db2.gz OCRLHKFPNHWIJS-NSHDSACASA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574120885 949512424 /nfs/dbraw/zinc/51/24/24/949512424.db2.gz OCRLHKFPNHWIJS-NSHDSACASA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808645 949517338 /nfs/dbraw/zinc/51/73/38/949517338.db2.gz HPLDXKVHFXIYTN-CHWSQXEVSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808645 949517351 /nfs/dbraw/zinc/51/73/51/949517351.db2.gz HPLDXKVHFXIYTN-CHWSQXEVSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=CCOCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575871799 949519920 /nfs/dbraw/zinc/51/99/20/949519920.db2.gz CCGCNHFAHDCFQG-DGCLKSJQSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=CCOCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575871799 949519926 /nfs/dbraw/zinc/51/99/26/949519926.db2.gz CCGCNHFAHDCFQG-DGCLKSJQSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574471056 949521178 /nfs/dbraw/zinc/52/11/78/949521178.db2.gz IHOUMXMEJIIHQV-WHXUTIOJSA-N -1 3 390.423 0.854 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574471056 949521195 /nfs/dbraw/zinc/52/11/95/949521195.db2.gz IHOUMXMEJIIHQV-WHXUTIOJSA-N -1 3 390.423 0.854 20 0 GCADHM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574950021 949524024 /nfs/dbraw/zinc/52/40/24/949524024.db2.gz JWDGISQGSADQTJ-NSHDSACASA-N -1 3 382.432 0.349 20 0 GCADHM C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574950021 949524042 /nfs/dbraw/zinc/52/40/42/949524042.db2.gz JWDGISQGSADQTJ-NSHDSACASA-N -1 3 382.432 0.349 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574471037 949523994 /nfs/dbraw/zinc/52/39/94/949523994.db2.gz YTNUYDXUJHBMOQ-NSHDSACASA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574471037 949524014 /nfs/dbraw/zinc/52/40/14/949524014.db2.gz YTNUYDXUJHBMOQ-NSHDSACASA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccon1 ZINC001573808671 949525067 /nfs/dbraw/zinc/52/50/67/949525067.db2.gz IAKSGKYKAUFWOY-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccon1 ZINC001573808671 949525083 /nfs/dbraw/zinc/52/50/83/949525083.db2.gz IAKSGKYKAUFWOY-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574711137 949525845 /nfs/dbraw/zinc/52/58/45/949525845.db2.gz DKDHWOIDQCXQEP-XCBNKYQSSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574711137 949525861 /nfs/dbraw/zinc/52/58/61/949525861.db2.gz DKDHWOIDQCXQEP-XCBNKYQSSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575538709 949526983 /nfs/dbraw/zinc/52/69/83/949526983.db2.gz JBPFZFQAQNYDLT-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575538709 949527005 /nfs/dbraw/zinc/52/70/05/949527005.db2.gz JBPFZFQAQNYDLT-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnnc1 ZINC001573809061 949531959 /nfs/dbraw/zinc/53/19/59/949531959.db2.gz MDOKKKAHZFJIMS-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnnc1 ZINC001573809061 949531967 /nfs/dbraw/zinc/53/19/67/949531967.db2.gz MDOKKKAHZFJIMS-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001573809184 949532504 /nfs/dbraw/zinc/53/25/04/949532504.db2.gz MNDFXHQZYWWNJD-QWHCGFSZSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001573809184 949532525 /nfs/dbraw/zinc/53/25/25/949532525.db2.gz MNDFXHQZYWWNJD-QWHCGFSZSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809200 949533174 /nfs/dbraw/zinc/53/31/74/949533174.db2.gz NALXXCKUJACSQM-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809200 949533185 /nfs/dbraw/zinc/53/31/85/949533185.db2.gz NALXXCKUJACSQM-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574471407 949533885 /nfs/dbraw/zinc/53/38/85/949533885.db2.gz MSIWEUMHXULRJN-IUCAKERBSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574471407 949533904 /nfs/dbraw/zinc/53/39/04/949533904.db2.gz MSIWEUMHXULRJN-IUCAKERBSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576163555 949535537 /nfs/dbraw/zinc/53/55/37/949535537.db2.gz BVLWPVVAUSRHHX-ZDUSSCGKSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576163444 949535615 /nfs/dbraw/zinc/53/56/15/949535615.db2.gz BFUUGMZYRJNTGQ-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576163444 949535631 /nfs/dbraw/zinc/53/56/31/949535631.db2.gz BFUUGMZYRJNTGQ-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872121 949535438 /nfs/dbraw/zinc/53/54/38/949535438.db2.gz GQCMGCOWOWANDF-BXUZGUMPSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872121 949535455 /nfs/dbraw/zinc/53/54/55/949535455.db2.gz GQCMGCOWOWANDF-BXUZGUMPSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H](NC(=O)CC1CCOCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575269123 949536551 /nfs/dbraw/zinc/53/65/51/949536551.db2.gz RBMAAPHDUJRMMI-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](NC(=O)CC1CCOCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575269123 949536562 /nfs/dbraw/zinc/53/65/62/949536562.db2.gz RBMAAPHDUJRMMI-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575269122 949536851 /nfs/dbraw/zinc/53/68/51/949536851.db2.gz RBMAAPHDUJRMMI-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575269122 949536875 /nfs/dbraw/zinc/53/68/75/949536875.db2.gz RBMAAPHDUJRMMI-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872155 949537107 /nfs/dbraw/zinc/53/71/07/949537107.db2.gz GYKATSMVYKHVND-PWSUYJOCSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872155 949537121 /nfs/dbraw/zinc/53/71/21/949537121.db2.gz GYKATSMVYKHVND-PWSUYJOCSA-N -1 3 387.400 0.192 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1csnn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809357 949537194 /nfs/dbraw/zinc/53/71/94/949537194.db2.gz OPYGWCHZKXLFAP-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1csnn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809357 949537215 /nfs/dbraw/zinc/53/72/15/949537215.db2.gz OPYGWCHZKXLFAP-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576163615 949540161 /nfs/dbraw/zinc/54/01/61/949540161.db2.gz CJNHQXMTABRTLA-IUODEOHRSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576163615 949540162 /nfs/dbraw/zinc/54/01/62/949540162.db2.gz CJNHQXMTABRTLA-IUODEOHRSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cccnn1 ZINC001573809469 949541420 /nfs/dbraw/zinc/54/14/20/949541420.db2.gz QCNZACQJUPABMY-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cccnn1 ZINC001573809469 949541438 /nfs/dbraw/zinc/54/14/38/949541438.db2.gz QCNZACQJUPABMY-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575539143 949543013 /nfs/dbraw/zinc/54/30/13/949543013.db2.gz NEUGQHDDWUHPJR-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575539143 949543030 /nfs/dbraw/zinc/54/30/30/949543030.db2.gz NEUGQHDDWUHPJR-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576163948 949543572 /nfs/dbraw/zinc/54/35/72/949543572.db2.gz DJNRVIWVOUVUEB-YPMHNXCESA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163948 949543588 /nfs/dbraw/zinc/54/35/88/949543588.db2.gz DJNRVIWVOUVUEB-YPMHNXCESA-N -1 3 386.460 0.304 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOC1 ZINC001575539137 949544384 /nfs/dbraw/zinc/54/43/84/949544384.db2.gz NCNQLTJIBPEVCS-XIKOKIGWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOC1 ZINC001575539137 949544403 /nfs/dbraw/zinc/54/44/03/949544403.db2.gz NCNQLTJIBPEVCS-XIKOKIGWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576163889 949545044 /nfs/dbraw/zinc/54/50/44/949545044.db2.gz DFTFHKLVVWGIJL-SMDDNHRTSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576163889 949545061 /nfs/dbraw/zinc/54/50/61/949545061.db2.gz DFTFHKLVVWGIJL-SMDDNHRTSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575539415 949546186 /nfs/dbraw/zinc/54/61/86/949546186.db2.gz PUJQNQSNXDMRNB-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575539415 949546202 /nfs/dbraw/zinc/54/62/02/949546202.db2.gz PUJQNQSNXDMRNB-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576163937 949547116 /nfs/dbraw/zinc/54/71/16/949547116.db2.gz DHYDCKLNCQMOQA-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163937 949547134 /nfs/dbraw/zinc/54/71/34/949547134.db2.gz DHYDCKLNCQMOQA-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576164197 949548047 /nfs/dbraw/zinc/54/80/47/949548047.db2.gz FAIAOYBEHYWEHM-SWLSCSKDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576164197 949548062 /nfs/dbraw/zinc/54/80/62/949548062.db2.gz FAIAOYBEHYWEHM-SWLSCSKDSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809693 949550440 /nfs/dbraw/zinc/55/04/40/949550440.db2.gz TWEGOAYOCQCPKX-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809693 949550455 /nfs/dbraw/zinc/55/04/55/949550455.db2.gz TWEGOAYOCQCPKX-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872571 949552113 /nfs/dbraw/zinc/55/21/13/949552113.db2.gz JVQLANSTNKNHGU-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872571 949552124 /nfs/dbraw/zinc/55/21/24/949552124.db2.gz JVQLANSTNKNHGU-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576164546 949552982 /nfs/dbraw/zinc/55/29/82/949552982.db2.gz HANPYMUNJKOOPO-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576164546 949552999 /nfs/dbraw/zinc/55/29/99/949552999.db2.gz HANPYMUNJKOOPO-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1CCOCC1 ZINC001573809759 949555621 /nfs/dbraw/zinc/55/56/21/949555621.db2.gz VHOICOYPFNGWEJ-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1CCOCC1 ZINC001573809759 949555634 /nfs/dbraw/zinc/55/56/34/949555634.db2.gz VHOICOYPFNGWEJ-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)NC(N)=O ZINC001574472865 949556622 /nfs/dbraw/zinc/55/66/22/949556622.db2.gz WLRFBAAFWUBHLB-YGRLFVJLSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)NC(N)=O ZINC001574472865 949556642 /nfs/dbraw/zinc/55/66/42/949556642.db2.gz WLRFBAAFWUBHLB-YGRLFVJLSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575269535 949558479 /nfs/dbraw/zinc/55/84/79/949558479.db2.gz VOLSFZIAIRHMFU-UWVGGRQHSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575269535 949558489 /nfs/dbraw/zinc/55/84/89/949558489.db2.gz VOLSFZIAIRHMFU-UWVGGRQHSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574951324 949558317 /nfs/dbraw/zinc/55/83/17/949558317.db2.gz ZCAQKILRTXEUTR-ABAIWWIYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(C)n1ncnc1CNC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001574473201 949561036 /nfs/dbraw/zinc/56/10/36/949561036.db2.gz YPYZAGLWWLKEFS-UHFFFAOYSA-N -1 3 384.448 0.810 20 0 GCADHM CC(C)n1ncnc1CNC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001574473201 949561050 /nfs/dbraw/zinc/56/10/50/949561050.db2.gz YPYZAGLWWLKEFS-UHFFFAOYSA-N -1 3 384.448 0.810 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576164965 949563251 /nfs/dbraw/zinc/56/32/51/949563251.db2.gz IZCGETDMWBORRG-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576164965 949563270 /nfs/dbraw/zinc/56/32/70/949563270.db2.gz IZCGETDMWBORRG-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001574475475 949565656 /nfs/dbraw/zinc/56/56/56/949565656.db2.gz ANWFWQLSNRCJBN-QWHCGFSZSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001574475475 949565670 /nfs/dbraw/zinc/56/56/70/949565670.db2.gz ANWFWQLSNRCJBN-QWHCGFSZSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001576164934 949566140 /nfs/dbraw/zinc/56/61/40/949566140.db2.gz INIKLEMEZWNFHY-CABZTGNLSA-N -1 3 376.396 0.315 20 0 GCADHM C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001576164934 949566154 /nfs/dbraw/zinc/56/61/54/949566154.db2.gz INIKLEMEZWNFHY-CABZTGNLSA-N -1 3 376.396 0.315 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575540314 949568576 /nfs/dbraw/zinc/56/85/76/949568576.db2.gz WWHAQDJKAZJHST-SGTLLEGYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575540314 949568588 /nfs/dbraw/zinc/56/85/88/949568588.db2.gz WWHAQDJKAZJHST-SGTLLEGYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575270028 949570109 /nfs/dbraw/zinc/57/01/09/949570109.db2.gz ACAZNVXLNRYOKM-STQMWFEESA-N -1 3 386.460 0.638 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575270028 949570120 /nfs/dbraw/zinc/57/01/20/949570120.db2.gz ACAZNVXLNRYOKM-STQMWFEESA-N -1 3 386.460 0.638 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574475497 949570728 /nfs/dbraw/zinc/57/07/28/949570728.db2.gz AYIADCHBLGLQSF-QWRGUYRKSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574475497 949570749 /nfs/dbraw/zinc/57/07/49/949570749.db2.gz AYIADCHBLGLQSF-QWRGUYRKSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575270065 949571641 /nfs/dbraw/zinc/57/16/41/949571641.db2.gz ANQXFSFMSPARKO-JTQLQIEISA-N -1 3 390.423 0.001 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574475499 949573602 /nfs/dbraw/zinc/57/36/02/949573602.db2.gz AYIADCHBLGLQSF-WDEREUQCSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574475499 949573624 /nfs/dbraw/zinc/57/36/24/949573624.db2.gz AYIADCHBLGLQSF-WDEREUQCSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575873477 949581340 /nfs/dbraw/zinc/58/13/40/949581340.db2.gz PMJZXNSBMJVREM-GHMZBOCLSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575873477 949581362 /nfs/dbraw/zinc/58/13/62/949581362.db2.gz PMJZXNSBMJVREM-GHMZBOCLSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574476001 949581603 /nfs/dbraw/zinc/58/16/03/949581603.db2.gz DYOXEPSJPPTVTA-ZYHUDNBSSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574476001 949581625 /nfs/dbraw/zinc/58/16/25/949581625.db2.gz DYOXEPSJPPTVTA-ZYHUDNBSSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575873710 949587175 /nfs/dbraw/zinc/58/71/75/949587175.db2.gz CARXZWWVENJBTJ-OCCSQVGLSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575873710 949587191 /nfs/dbraw/zinc/58/71/91/949587191.db2.gz CARXZWWVENJBTJ-OCCSQVGLSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)CCC(=O)NC1 ZINC001575544531 949587600 /nfs/dbraw/zinc/58/76/00/949587600.db2.gz FIJRQVRRTPYOBV-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)CCC(=O)NC1 ZINC001575544531 949587620 /nfs/dbraw/zinc/58/76/20/949587620.db2.gz FIJRQVRRTPYOBV-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](NC(=O)CCCn1cncn1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575270363 949587599 /nfs/dbraw/zinc/58/75/99/949587599.db2.gz CIZXQMRXJOHCIJ-GHMZBOCLSA-N -1 3 388.411 0.778 20 0 GCADHM C[C@@H](NC(=O)CCCn1cncn1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575270363 949587624 /nfs/dbraw/zinc/58/76/24/949587624.db2.gz CIZXQMRXJOHCIJ-GHMZBOCLSA-N -1 3 388.411 0.778 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nc2)CCC(=O)NC1 ZINC001575544527 949587805 /nfs/dbraw/zinc/58/78/05/949587805.db2.gz FIJRQVRRTPYOBV-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)CCC(=O)NC1 ZINC001575544527 949587827 /nfs/dbraw/zinc/58/78/27/949587827.db2.gz FIJRQVRRTPYOBV-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCn1ccnn1 ZINC001573810955 949588020 /nfs/dbraw/zinc/58/80/20/949588020.db2.gz FZKGUZJCFJRUPN-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCn1ccnn1 ZINC001573810955 949588039 /nfs/dbraw/zinc/58/80/39/949588039.db2.gz FZKGUZJCFJRUPN-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574476110 949588415 /nfs/dbraw/zinc/58/84/15/949588415.db2.gz AFXHECIDRSZGQT-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574476110 949588426 /nfs/dbraw/zinc/58/84/26/949588426.db2.gz AFXHECIDRSZGQT-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712910 949588575 /nfs/dbraw/zinc/58/85/75/949588575.db2.gz VEXKIKVHSGATLT-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574713132 949592722 /nfs/dbraw/zinc/59/27/22/949592722.db2.gz VZLUIIMWGKUMPC-GXSJLCMTSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574713132 949592737 /nfs/dbraw/zinc/59/27/37/949592737.db2.gz VZLUIIMWGKUMPC-GXSJLCMTSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574476278 949593472 /nfs/dbraw/zinc/59/34/72/949593472.db2.gz FUQZCSOTXXAPQZ-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574476278 949593486 /nfs/dbraw/zinc/59/34/86/949593486.db2.gz FUQZCSOTXXAPQZ-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574476200 949594880 /nfs/dbraw/zinc/59/48/80/949594880.db2.gz BPUDGZXWQMZUHJ-PIGZYNQJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574476200 949594908 /nfs/dbraw/zinc/59/49/08/949594908.db2.gz BPUDGZXWQMZUHJ-PIGZYNQJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576166995 949595955 /nfs/dbraw/zinc/59/59/55/949595955.db2.gz OBLRKZFEQHLFJI-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576166995 949595984 /nfs/dbraw/zinc/59/59/84/949595984.db2.gz OBLRKZFEQHLFJI-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM CC(C)C[C@H](C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574125837 949597718 /nfs/dbraw/zinc/59/77/18/949597718.db2.gz SZXDAGNNUROOAU-CQSZACIVSA-N -1 3 384.448 0.693 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576167027 949598509 /nfs/dbraw/zinc/59/85/09/949598509.db2.gz OJYJTGJMVGNYKS-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576167027 949598536 /nfs/dbraw/zinc/59/85/36/949598536.db2.gz OJYJTGJMVGNYKS-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576167167 949599669 /nfs/dbraw/zinc/59/96/69/949599669.db2.gz PGLGQORFDIHTEF-OLZOCXBDSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576167167 949599686 /nfs/dbraw/zinc/59/96/86/949599686.db2.gz PGLGQORFDIHTEF-OLZOCXBDSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713451 949602856 /nfs/dbraw/zinc/60/28/56/949602856.db2.gz XNMCHCWDVUHBGD-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575270913 949603842 /nfs/dbraw/zinc/60/38/42/949603842.db2.gz HCSDUHACKCCQMM-NSHDSACASA-N -1 3 389.435 0.598 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574713447 949605663 /nfs/dbraw/zinc/60/56/63/949605663.db2.gz XNMBQMNLPXJLGO-WDEREUQCSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574713659 949607416 /nfs/dbraw/zinc/60/74/16/949607416.db2.gz AORPWHYQPXLEFX-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574713659 949607428 /nfs/dbraw/zinc/60/74/28/949607428.db2.gz AORPWHYQPXLEFX-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001574476654 949612312 /nfs/dbraw/zinc/61/23/12/949612312.db2.gz FTEHBYYQCFRGSQ-SNVBAGLBSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001574476654 949612328 /nfs/dbraw/zinc/61/23/28/949612328.db2.gz FTEHBYYQCFRGSQ-SNVBAGLBSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874651 949613137 /nfs/dbraw/zinc/61/31/37/949613137.db2.gz SYTCSGDRINDXEG-WCQYABFASA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874651 949613147 /nfs/dbraw/zinc/61/31/47/949613147.db2.gz SYTCSGDRINDXEG-WCQYABFASA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574713830 949614448 /nfs/dbraw/zinc/61/44/48/949614448.db2.gz YGDKDUMBTTWBCB-GHMZBOCLSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](NC(=O)CC[C@@H]1CCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575271300 949615073 /nfs/dbraw/zinc/61/50/73/949615073.db2.gz JHVWMKWWXVUFCU-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CC[C@@H]1CCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575271300 949615087 /nfs/dbraw/zinc/61/50/87/949615087.db2.gz JHVWMKWWXVUFCU-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574713739 949615237 /nfs/dbraw/zinc/61/52/37/949615237.db2.gz BSGBWRAIIALLHM-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574713739 949615251 /nfs/dbraw/zinc/61/52/51/949615251.db2.gz BSGBWRAIIALLHM-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574476682 949615416 /nfs/dbraw/zinc/61/54/16/949615416.db2.gz GBYRUIDGXGGISV-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574476682 949615428 /nfs/dbraw/zinc/61/54/28/949615428.db2.gz GBYRUIDGXGGISV-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575271137 949615615 /nfs/dbraw/zinc/61/56/15/949615615.db2.gz IRKCFQHPVVBCGB-MNOVXSKESA-N -1 3 392.439 0.964 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575271137 949615627 /nfs/dbraw/zinc/61/56/27/949615627.db2.gz IRKCFQHPVVBCGB-MNOVXSKESA-N -1 3 392.439 0.964 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576167681 949618695 /nfs/dbraw/zinc/61/86/95/949618695.db2.gz DQHIKGPCOFVTSW-YPMHNXCESA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576167681 949618720 /nfs/dbraw/zinc/61/87/20/949618720.db2.gz DQHIKGPCOFVTSW-YPMHNXCESA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](NC(=O)CCCn1ccnc1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575271419 949620897 /nfs/dbraw/zinc/62/08/97/949620897.db2.gz KGFFCKGRCRMCPN-RYUDHWBXSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H](NC(=O)CCCn1ccnc1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575271419 949620908 /nfs/dbraw/zinc/62/09/08/949620908.db2.gz KGFFCKGRCRMCPN-RYUDHWBXSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874822 949622979 /nfs/dbraw/zinc/62/29/79/949622979.db2.gz HEENJWXGFVUPEE-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874822 949623005 /nfs/dbraw/zinc/62/30/05/949623005.db2.gz HEENJWXGFVUPEE-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574714137 949623520 /nfs/dbraw/zinc/62/35/20/949623520.db2.gz CLSCZLHCDHLUIZ-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574714137 949623531 /nfs/dbraw/zinc/62/35/31/949623531.db2.gz CLSCZLHCDHLUIZ-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CC(=O)N(C)CC(C)(C)CNc1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574476850 949624470 /nfs/dbraw/zinc/62/44/70/949624470.db2.gz KPIZFNAPDRBGNI-LLVKDONJSA-N -1 3 389.464 0.605 20 0 GCADHM C[C@H](CC(=O)N(C)CC(C)(C)CNc1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574476850 949624481 /nfs/dbraw/zinc/62/44/81/949624481.db2.gz KPIZFNAPDRBGNI-LLVKDONJSA-N -1 3 389.464 0.605 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001576168018 949625332 /nfs/dbraw/zinc/62/53/32/949625332.db2.gz BDUKCMYYTJYERF-ZDUSSCGKSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001576168018 949625348 /nfs/dbraw/zinc/62/53/48/949625348.db2.gz BDUKCMYYTJYERF-ZDUSSCGKSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574957735 949632512 /nfs/dbraw/zinc/63/25/12/949632512.db2.gz HBZXODMHOITCEF-AOLWHUPESA-N -1 3 387.444 0.477 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574957735 949632524 /nfs/dbraw/zinc/63/25/24/949632524.db2.gz HBZXODMHOITCEF-AOLWHUPESA-N -1 3 387.444 0.477 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001575547657 949633385 /nfs/dbraw/zinc/63/33/85/949633385.db2.gz BEHOGRGACGGGOG-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001575547657 949633403 /nfs/dbraw/zinc/63/34/03/949633403.db2.gz BEHOGRGACGGGOG-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575272077 949634449 /nfs/dbraw/zinc/63/44/49/949634449.db2.gz NGCOZJAKWJVCEW-NWDGAFQWSA-N -1 3 392.439 0.428 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575272077 949634469 /nfs/dbraw/zinc/63/44/69/949634469.db2.gz NGCOZJAKWJVCEW-NWDGAFQWSA-N -1 3 392.439 0.428 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574129184 949636877 /nfs/dbraw/zinc/63/68/77/949636877.db2.gz RMUOWLPAGHGLPT-ZIAGYGMSSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574129184 949636885 /nfs/dbraw/zinc/63/68/85/949636885.db2.gz RMUOWLPAGHGLPT-ZIAGYGMSSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575875865 949637047 /nfs/dbraw/zinc/63/70/47/949637047.db2.gz WIOIOAJMELADHT-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575875865 949637059 /nfs/dbraw/zinc/63/70/59/949637059.db2.gz WIOIOAJMELADHT-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574477095 949639879 /nfs/dbraw/zinc/63/98/79/949639879.db2.gz JPHOONRKRGGNFS-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574477095 949639884 /nfs/dbraw/zinc/63/98/84/949639884.db2.gz JPHOONRKRGGNFS-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876197 949641637 /nfs/dbraw/zinc/64/16/37/949641637.db2.gz JKCBETYPPSPWGQ-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576168514 949641735 /nfs/dbraw/zinc/64/17/35/949641735.db2.gz UZRVGTDQKMIKAF-DOMZBBRYSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576168514 949641755 /nfs/dbraw/zinc/64/17/55/949641755.db2.gz UZRVGTDQKMIKAF-DOMZBBRYSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1)NC(N)=O ZINC001574477208 949641833 /nfs/dbraw/zinc/64/18/33/949641833.db2.gz LWNCRXIBDWRVAC-ZYHUDNBSSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1)NC(N)=O ZINC001574477208 949641847 /nfs/dbraw/zinc/64/18/47/949641847.db2.gz LWNCRXIBDWRVAC-ZYHUDNBSSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](NC(=O)CC[C@@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575272623 949646823 /nfs/dbraw/zinc/64/68/23/949646823.db2.gz RGIVNRVRMIRXFU-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CC[C@@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575272623 949646837 /nfs/dbraw/zinc/64/68/37/949646837.db2.gz RGIVNRVRMIRXFU-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575876277 949647114 /nfs/dbraw/zinc/64/71/14/949647114.db2.gz JRLIGTZOLDPXBC-RKDXNWHRSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575876277 949647134 /nfs/dbraw/zinc/64/71/34/949647134.db2.gz JRLIGTZOLDPXBC-RKDXNWHRSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876825 949653794 /nfs/dbraw/zinc/65/37/94/949653794.db2.gz KUOKMOMRMOSRLC-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876825 949653803 /nfs/dbraw/zinc/65/38/03/949653803.db2.gz KUOKMOMRMOSRLC-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574477422 949655331 /nfs/dbraw/zinc/65/53/31/949655331.db2.gz QXZRKZCLTXWAGL-JSGCOSHPSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574477422 949655346 /nfs/dbraw/zinc/65/53/46/949655346.db2.gz QXZRKZCLTXWAGL-JSGCOSHPSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001574477445 949657583 /nfs/dbraw/zinc/65/75/83/949657583.db2.gz RGUUGXRGFGDDTD-DZGCQCFKSA-N -1 3 384.444 0.946 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001574477445 949657604 /nfs/dbraw/zinc/65/76/04/949657604.db2.gz RGUUGXRGFGDDTD-DZGCQCFKSA-N -1 3 384.444 0.946 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575877116 949657913 /nfs/dbraw/zinc/65/79/13/949657913.db2.gz KWAWJVILUAEQFD-WCQYABFASA-N -1 3 382.432 0.486 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575877116 949657926 /nfs/dbraw/zinc/65/79/26/949657926.db2.gz KWAWJVILUAEQFD-WCQYABFASA-N -1 3 382.432 0.486 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574477512 949660909 /nfs/dbraw/zinc/66/09/09/949660909.db2.gz RUPJFZOXFKYIJI-RISCZKNCSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574477512 949660921 /nfs/dbraw/zinc/66/09/21/949660921.db2.gz RUPJFZOXFKYIJI-RISCZKNCSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@]1(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575548189 949661356 /nfs/dbraw/zinc/66/13/56/949661356.db2.gz TUNZUKVJCJXVDG-SCLBCKFNSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@]1(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575548189 949661364 /nfs/dbraw/zinc/66/13/64/949661364.db2.gz TUNZUKVJCJXVDG-SCLBCKFNSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575877388 949661790 /nfs/dbraw/zinc/66/17/90/949661790.db2.gz ZNDCPZNNULDPOU-JQWIXIFHSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575877388 949661800 /nfs/dbraw/zinc/66/18/00/949661800.db2.gz ZNDCPZNNULDPOU-JQWIXIFHSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574958225 949662343 /nfs/dbraw/zinc/66/23/43/949662343.db2.gz HCCIPAFHHWLEMJ-CYZMBNFOSA-N -1 3 397.443 0.309 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575877335 949662405 /nfs/dbraw/zinc/66/24/05/949662405.db2.gz LNZXEOWBLSFNOH-YPMHNXCESA-N -1 3 382.432 0.486 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575877335 949662417 /nfs/dbraw/zinc/66/24/17/949662417.db2.gz LNZXEOWBLSFNOH-YPMHNXCESA-N -1 3 382.432 0.486 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574958225 949662361 /nfs/dbraw/zinc/66/23/61/949662361.db2.gz HCCIPAFHHWLEMJ-CYZMBNFOSA-N -1 3 397.443 0.309 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574131609 949663057 /nfs/dbraw/zinc/66/30/57/949663057.db2.gz HYTFIHBHPIDJEM-OCCSQVGLSA-N -1 3 391.476 0.768 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574131609 949663069 /nfs/dbraw/zinc/66/30/69/949663069.db2.gz HYTFIHBHPIDJEM-OCCSQVGLSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574958350 949664209 /nfs/dbraw/zinc/66/42/09/949664209.db2.gz JBPOUAHQRLJOIW-YUSALJHKSA-N -1 3 385.407 0.855 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574958350 949664225 /nfs/dbraw/zinc/66/42/25/949664225.db2.gz JBPOUAHQRLJOIW-YUSALJHKSA-N -1 3 385.407 0.855 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574715745 949664968 /nfs/dbraw/zinc/66/49/68/949664968.db2.gz GCKKWGWWEVREME-VIFPVBQESA-N -1 3 380.840 0.830 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574715745 949664987 /nfs/dbraw/zinc/66/49/87/949664987.db2.gz GCKKWGWWEVREME-VIFPVBQESA-N -1 3 380.840 0.830 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574477621 949665764 /nfs/dbraw/zinc/66/57/64/949665764.db2.gz SPHOWJVURFCEFR-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574477621 949665778 /nfs/dbraw/zinc/66/57/78/949665778.db2.gz SPHOWJVURFCEFR-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001574131768 949665897 /nfs/dbraw/zinc/66/58/97/949665897.db2.gz JVDHDMRMKHFGBE-KGLIPLIRSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001574131768 949665913 /nfs/dbraw/zinc/66/59/13/949665913.db2.gz JVDHDMRMKHFGBE-KGLIPLIRSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001574477582 949666534 /nfs/dbraw/zinc/66/65/34/949666534.db2.gz PKTRVMJZKRCCEP-NSHDSACASA-N -1 3 385.432 0.310 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001574477582 949666545 /nfs/dbraw/zinc/66/65/45/949666545.db2.gz PKTRVMJZKRCCEP-NSHDSACASA-N -1 3 385.432 0.310 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)C1 ZINC001576169159 949666703 /nfs/dbraw/zinc/66/67/03/949666703.db2.gz FSPLFYLUSRGYOR-LLVKDONJSA-N -1 3 398.514 0.996 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574477620 949667235 /nfs/dbraw/zinc/66/72/35/949667235.db2.gz SOWJBOGIQWDLIX-VIFPVBQESA-N -1 3 378.462 0.018 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575877652 949667568 /nfs/dbraw/zinc/66/75/68/949667568.db2.gz MGCWNPBGWHVWOX-GXTWGEPZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575877652 949667581 /nfs/dbraw/zinc/66/75/81/949667581.db2.gz MGCWNPBGWHVWOX-GXTWGEPZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575548345 949668518 /nfs/dbraw/zinc/66/85/18/949668518.db2.gz XLKSEHWXOKHPBR-KSSFIOAISA-N -1 3 387.444 0.718 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575548345 949668541 /nfs/dbraw/zinc/66/85/41/949668541.db2.gz XLKSEHWXOKHPBR-KSSFIOAISA-N -1 3 387.444 0.718 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001574477702 949670631 /nfs/dbraw/zinc/67/06/31/949670631.db2.gz UJPXFZOGJNXLOH-BXUZGUMPSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001574477702 949670648 /nfs/dbraw/zinc/67/06/48/949670648.db2.gz UJPXFZOGJNXLOH-BXUZGUMPSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574132027 949673401 /nfs/dbraw/zinc/67/34/01/949673401.db2.gz OYJFDJAEGVNKHK-KZULUSFZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574132027 949673418 /nfs/dbraw/zinc/67/34/18/949673418.db2.gz OYJFDJAEGVNKHK-KZULUSFZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001574477704 949674304 /nfs/dbraw/zinc/67/43/04/949674304.db2.gz UJPXFZOGJNXLOH-FZMZJTMJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001574477704 949674317 /nfs/dbraw/zinc/67/43/17/949674317.db2.gz UJPXFZOGJNXLOH-FZMZJTMJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574477752 949675675 /nfs/dbraw/zinc/67/56/75/949675675.db2.gz URCOKKQNUOAXHS-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574477752 949675690 /nfs/dbraw/zinc/67/56/90/949675690.db2.gz URCOKKQNUOAXHS-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575274136 949676777 /nfs/dbraw/zinc/67/67/77/949676777.db2.gz ZCSOATAKYNYTGY-QWRGUYRKSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575274136 949676790 /nfs/dbraw/zinc/67/67/90/949676790.db2.gz ZCSOATAKYNYTGY-QWRGUYRKSA-N -1 3 381.462 0.392 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574132172 949677862 /nfs/dbraw/zinc/67/78/62/949677862.db2.gz RTJDJQFOXZOPNU-KZULUSFZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574132172 949677871 /nfs/dbraw/zinc/67/78/71/949677871.db2.gz RTJDJQFOXZOPNU-KZULUSFZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575878801 949681264 /nfs/dbraw/zinc/68/12/64/949681264.db2.gz PFKCBZIPMXEVHH-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575878801 949681276 /nfs/dbraw/zinc/68/12/76/949681276.db2.gz PFKCBZIPMXEVHH-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878786 949682015 /nfs/dbraw/zinc/68/20/15/949682015.db2.gz PCFVZCNYUOTVTI-DGCLKSJQSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878786 949682029 /nfs/dbraw/zinc/68/20/29/949682029.db2.gz PCFVZCNYUOTVTI-DGCLKSJQSA-N -1 3 382.428 0.875 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574132217 949682465 /nfs/dbraw/zinc/68/24/65/949682465.db2.gz SYQGLYFCXYAVMJ-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574132217 949682479 /nfs/dbraw/zinc/68/24/79/949682479.db2.gz SYQGLYFCXYAVMJ-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575879339 949686386 /nfs/dbraw/zinc/68/63/86/949686386.db2.gz QIGLKXCDUAEVNW-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575879339 949686392 /nfs/dbraw/zinc/68/63/92/949686392.db2.gz QIGLKXCDUAEVNW-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574716318 949687579 /nfs/dbraw/zinc/68/75/79/949687579.db2.gz JGKILEOPOCJVFY-QWRGUYRKSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574716318 949687594 /nfs/dbraw/zinc/68/75/94/949687594.db2.gz JGKILEOPOCJVFY-QWRGUYRKSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576169683 949687724 /nfs/dbraw/zinc/68/77/24/949687724.db2.gz HSRCOUGTPNSFPN-OLZOCXBDSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576169683 949687743 /nfs/dbraw/zinc/68/77/43/949687743.db2.gz HSRCOUGTPNSFPN-OLZOCXBDSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576169685 949688034 /nfs/dbraw/zinc/68/80/34/949688034.db2.gz HSRCOUGTPNSFPN-QWHCGFSZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576169685 949688050 /nfs/dbraw/zinc/68/80/50/949688050.db2.gz HSRCOUGTPNSFPN-QWHCGFSZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574958693 949689716 /nfs/dbraw/zinc/68/97/16/949689716.db2.gz VGYAKXAPOAUUOX-GOONRYMUSA-N -1 3 377.836 0.748 20 0 GCADHM C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574958693 949689732 /nfs/dbraw/zinc/68/97/32/949689732.db2.gz VGYAKXAPOAUUOX-GOONRYMUSA-N -1 3 377.836 0.748 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574958754 949691389 /nfs/dbraw/zinc/69/13/89/949691389.db2.gz WCHXKDOQQZVJTC-KZTGVZKYSA-N -1 3 390.419 0.974 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574958754 949691400 /nfs/dbraw/zinc/69/14/00/949691400.db2.gz WCHXKDOQQZVJTC-KZTGVZKYSA-N -1 3 390.419 0.974 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716440 949692547 /nfs/dbraw/zinc/69/25/47/949692547.db2.gz ONZFRFJEJUORLV-NEPJUHHUSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716440 949692561 /nfs/dbraw/zinc/69/25/61/949692561.db2.gz ONZFRFJEJUORLV-NEPJUHHUSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576169844 949694085 /nfs/dbraw/zinc/69/40/85/949694085.db2.gz JWBCZHATXWAPMO-WCQYABFASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576169844 949694117 /nfs/dbraw/zinc/69/41/17/949694117.db2.gz JWBCZHATXWAPMO-WCQYABFASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575880216 949697109 /nfs/dbraw/zinc/69/71/09/949697109.db2.gz SJJJIQBFRKYTBH-QWHCGFSZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575880216 949697124 /nfs/dbraw/zinc/69/71/24/949697124.db2.gz SJJJIQBFRKYTBH-QWHCGFSZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H](NC(=O)CCc1ncccn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575275081 949697194 /nfs/dbraw/zinc/69/71/94/949697194.db2.gz BZOKSTDYEZAVKG-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1ncccn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575275081 949697211 /nfs/dbraw/zinc/69/72/11/949697211.db2.gz BZOKSTDYEZAVKG-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]3C2)CCCOC1 ZINC001575554405 949697549 /nfs/dbraw/zinc/69/75/49/949697549.db2.gz SFXLGUTWBJHBSJ-KSMMKXTCSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]3C2)CCCOC1 ZINC001575554405 949697559 /nfs/dbraw/zinc/69/75/59/949697559.db2.gz SFXLGUTWBJHBSJ-KSMMKXTCSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001574478175 949697512 /nfs/dbraw/zinc/69/75/12/949697512.db2.gz WAYPNPHBWCOLRH-ZFWWWQNUSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001574478175 949697526 /nfs/dbraw/zinc/69/75/26/949697526.db2.gz WAYPNPHBWCOLRH-ZFWWWQNUSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575275468 949699532 /nfs/dbraw/zinc/69/95/32/949699532.db2.gz DEYCHBZYEBTJLE-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575275468 949699551 /nfs/dbraw/zinc/69/95/51/949699551.db2.gz DEYCHBZYEBTJLE-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574478132 949699662 /nfs/dbraw/zinc/69/96/62/949699662.db2.gz VRIPMRAQUCXMSB-GFCCVEGCSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574478132 949699676 /nfs/dbraw/zinc/69/96/76/949699676.db2.gz VRIPMRAQUCXMSB-GFCCVEGCSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](NC(=O)CCc1ccon1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575275503 949702222 /nfs/dbraw/zinc/70/22/22/949702222.db2.gz DPISSNIUUCTVIS-JTQLQIEISA-N -1 3 384.400 0.392 20 0 GCADHM C[C@H](NC(=O)CCc1ccon1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575275503 949702241 /nfs/dbraw/zinc/70/22/41/949702241.db2.gz DPISSNIUUCTVIS-JTQLQIEISA-N -1 3 384.400 0.392 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574959105 949703077 /nfs/dbraw/zinc/70/30/77/949703077.db2.gz ZBYNGYCPXWPKMP-LMRQPLJMSA-N -1 3 387.444 0.477 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574959105 949703095 /nfs/dbraw/zinc/70/30/95/949703095.db2.gz ZBYNGYCPXWPKMP-LMRQPLJMSA-N -1 3 387.444 0.477 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574478371 949705263 /nfs/dbraw/zinc/70/52/63/949705263.db2.gz XANMWVYBMLZVTG-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)c1ccon1 ZINC001576170189 949707095 /nfs/dbraw/zinc/70/70/95/949707095.db2.gz JLZARPNYQYHSJQ-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1ccon1 ZINC001576170189 949707111 /nfs/dbraw/zinc/70/71/11/949707111.db2.gz JLZARPNYQYHSJQ-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)c1ccon1 ZINC001576170180 949707612 /nfs/dbraw/zinc/70/76/12/949707612.db2.gz JLZARPNYQYHSJQ-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1ccon1 ZINC001576170180 949707626 /nfs/dbraw/zinc/70/76/26/949707626.db2.gz JLZARPNYQYHSJQ-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1cocn1 ZINC001576170309 949711739 /nfs/dbraw/zinc/71/17/39/949711739.db2.gz KBODDNICMWLFOI-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1cocn1 ZINC001576170309 949711759 /nfs/dbraw/zinc/71/17/59/949711759.db2.gz KBODDNICMWLFOI-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170295 949715866 /nfs/dbraw/zinc/71/58/66/949715866.db2.gz JXWDKGZGYDVTFK-SMDDNHRTSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170295 949715876 /nfs/dbraw/zinc/71/58/76/949715876.db2.gz JXWDKGZGYDVTFK-SMDDNHRTSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001576170468 949717281 /nfs/dbraw/zinc/71/72/81/949717281.db2.gz LCHMREXXYQBMNR-LLVKDONJSA-N -1 3 379.446 0.189 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001576170468 949717307 /nfs/dbraw/zinc/71/73/07/949717307.db2.gz LCHMREXXYQBMNR-LLVKDONJSA-N -1 3 379.446 0.189 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001574478651 949720656 /nfs/dbraw/zinc/72/06/56/949720656.db2.gz ZZZDAJGKVKAKKN-UKRRQHHQSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001574478651 949720685 /nfs/dbraw/zinc/72/06/85/949720685.db2.gz ZZZDAJGKVKAKKN-UKRRQHHQSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H](C)n1ccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574717044 949722392 /nfs/dbraw/zinc/72/23/92/949722392.db2.gz SPQKXRPGDFESQF-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576170533 949722479 /nfs/dbraw/zinc/72/24/79/949722479.db2.gz MBQUCDHCPCNNHF-JSGCOSHPSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576170533 949722511 /nfs/dbraw/zinc/72/25/11/949722511.db2.gz MBQUCDHCPCNNHF-JSGCOSHPSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575881545 949725355 /nfs/dbraw/zinc/72/53/55/949725355.db2.gz YXIZXIUIHXYVKC-OCCSQVGLSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575881545 949725371 /nfs/dbraw/zinc/72/53/71/949725371.db2.gz YXIZXIUIHXYVKC-OCCSQVGLSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574717086 949725164 /nfs/dbraw/zinc/72/51/64/949725164.db2.gz UFEIHHPWFUQOEC-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574717086 949725180 /nfs/dbraw/zinc/72/51/80/949725180.db2.gz UFEIHHPWFUQOEC-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574717088 949725237 /nfs/dbraw/zinc/72/52/37/949725237.db2.gz UFEIHHPWFUQOEC-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574717088 949725254 /nfs/dbraw/zinc/72/52/54/949725254.db2.gz UFEIHHPWFUQOEC-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)c1cocn1 ZINC001576170648 949728402 /nfs/dbraw/zinc/72/84/02/949728402.db2.gz MIHQRZQJFZJMIQ-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1cocn1 ZINC001576170648 949728416 /nfs/dbraw/zinc/72/84/16/949728416.db2.gz MIHQRZQJFZJMIQ-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881742 949733133 /nfs/dbraw/zinc/73/31/33/949733133.db2.gz AGHSOXZNVWFSID-QMTHXVAHSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881742 949733155 /nfs/dbraw/zinc/73/31/55/949733155.db2.gz AGHSOXZNVWFSID-QMTHXVAHSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881764 949733613 /nfs/dbraw/zinc/73/36/13/949733613.db2.gz APVDWJMZCKXBSG-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881740 949733869 /nfs/dbraw/zinc/73/38/69/949733869.db2.gz AGHSOXZNVWFSID-HZMBPMFUSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881740 949733886 /nfs/dbraw/zinc/73/38/86/949733886.db2.gz AGHSOXZNVWFSID-HZMBPMFUSA-N -1 3 385.407 0.840 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001575558386 949737347 /nfs/dbraw/zinc/73/73/47/949737347.db2.gz OZLLGHAZUDKNCE-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@]1(C)CCOC1 ZINC001575558386 949737365 /nfs/dbraw/zinc/73/73/65/949737365.db2.gz OZLLGHAZUDKNCE-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575881857 949738558 /nfs/dbraw/zinc/73/85/58/949738558.db2.gz CGFLHIFECAKECY-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575881857 949738570 /nfs/dbraw/zinc/73/85/70/949738570.db2.gz CGFLHIFECAKECY-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574962840 949740532 /nfs/dbraw/zinc/74/05/32/949740532.db2.gz CTZPTLONIVSQMH-IAQYHMDHSA-N -1 3 389.435 0.563 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574962840 949740552 /nfs/dbraw/zinc/74/05/52/949740552.db2.gz CTZPTLONIVSQMH-IAQYHMDHSA-N -1 3 389.435 0.563 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574479683 949740856 /nfs/dbraw/zinc/74/08/56/949740856.db2.gz FLKQQKRGNAFDDQ-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574479683 949740877 /nfs/dbraw/zinc/74/08/77/949740877.db2.gz FLKQQKRGNAFDDQ-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574717731 949741019 /nfs/dbraw/zinc/74/10/19/949741019.db2.gz WUVXBSGTZQDWPW-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574717731 949741035 /nfs/dbraw/zinc/74/10/35/949741035.db2.gz WUVXBSGTZQDWPW-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574479730 949743518 /nfs/dbraw/zinc/74/35/18/949743518.db2.gz GJWUMZVZSPFZKY-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574479730 949743538 /nfs/dbraw/zinc/74/35/38/949743538.db2.gz GJWUMZVZSPFZKY-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1cncn1C ZINC001575277312 949745241 /nfs/dbraw/zinc/74/52/41/949745241.db2.gz PWZNTTXPGODCSM-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1cncn1C ZINC001575277312 949745253 /nfs/dbraw/zinc/74/52/53/949745253.db2.gz PWZNTTXPGODCSM-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574479729 949745639 /nfs/dbraw/zinc/74/56/39/949745639.db2.gz GJWUMZVZSPFZKY-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574479729 949745657 /nfs/dbraw/zinc/74/56/57/949745657.db2.gz GJWUMZVZSPFZKY-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1ccncn1 ZINC001575277301 949746407 /nfs/dbraw/zinc/74/64/07/949746407.db2.gz PUGIZKMIECVGPS-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1ccncn1 ZINC001575277301 949746429 /nfs/dbraw/zinc/74/64/29/949746429.db2.gz PUGIZKMIECVGPS-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cncnc1 ZINC001575881990 949746741 /nfs/dbraw/zinc/74/67/41/949746741.db2.gz FAJSJBAXXZEIFV-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cncnc1 ZINC001575881990 949746760 /nfs/dbraw/zinc/74/67/60/949746760.db2.gz FAJSJBAXXZEIFV-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574963291 949748296 /nfs/dbraw/zinc/74/82/96/949748296.db2.gz HUXFFMFZXVOQOA-BXKDBHETSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574963291 949748304 /nfs/dbraw/zinc/74/83/04/949748304.db2.gz HUXFFMFZXVOQOA-BXKDBHETSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574480514 949753820 /nfs/dbraw/zinc/75/38/20/949753820.db2.gz JKROPVCBMBCJSU-WCQYABFASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574480514 949753837 /nfs/dbraw/zinc/75/38/37/949753837.db2.gz JKROPVCBMBCJSU-WCQYABFASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnccn1 ZINC001575882193 949757141 /nfs/dbraw/zinc/75/71/41/949757141.db2.gz HRCYZECJQUWJJC-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnccn1 ZINC001575882193 949757156 /nfs/dbraw/zinc/75/71/56/949757156.db2.gz HRCYZECJQUWJJC-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnccn1 ZINC001575882194 949759094 /nfs/dbraw/zinc/75/90/94/949759094.db2.gz HRCYZECJQUWJJC-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnccn1 ZINC001575882194 949759111 /nfs/dbraw/zinc/75/91/11/949759111.db2.gz HRCYZECJQUWJJC-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](NC(=O)CCc1cscn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277971 949760498 /nfs/dbraw/zinc/76/04/98/949760498.db2.gz UCBDBKKJHMWYRF-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1cscn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277971 949760511 /nfs/dbraw/zinc/76/05/11/949760511.db2.gz UCBDBKKJHMWYRF-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576171422 949762088 /nfs/dbraw/zinc/76/20/88/949762088.db2.gz QDCVKWZRUWJCJR-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576171422 949762105 /nfs/dbraw/zinc/76/21/05/949762105.db2.gz QDCVKWZRUWJCJR-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576171425 949762391 /nfs/dbraw/zinc/76/23/91/949762391.db2.gz QDCVKWZRUWJCJR-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576171425 949762403 /nfs/dbraw/zinc/76/24/03/949762403.db2.gz QDCVKWZRUWJCJR-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001574137645 949764128 /nfs/dbraw/zinc/76/41/28/949764128.db2.gz WGPUQXFQHSXLSM-DFBGVHRSSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001574137645 949764147 /nfs/dbraw/zinc/76/41/47/949764147.db2.gz WGPUQXFQHSXLSM-DFBGVHRSSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CC(=O)NC(C)(C)C ZINC001575882305 949765705 /nfs/dbraw/zinc/76/57/05/949765705.db2.gz INVGFKRPBVDEGA-DGCLKSJQSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575278334 949765727 /nfs/dbraw/zinc/76/57/27/949765727.db2.gz UYXPSIXMKUUJCB-JTQLQIEISA-N -1 3 383.416 0.127 20 0 GCADHM C[C@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575278334 949765740 /nfs/dbraw/zinc/76/57/40/949765740.db2.gz UYXPSIXMKUUJCB-JTQLQIEISA-N -1 3 383.416 0.127 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@@H]3C2)CCOC1 ZINC001575559880 949766723 /nfs/dbraw/zinc/76/67/23/949766723.db2.gz YRVSHXSNLCBZDR-FHSNZYRGSA-N -1 3 385.428 0.152 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@@H]3C2)CCOC1 ZINC001575559880 949766737 /nfs/dbraw/zinc/76/67/37/949766737.db2.gz YRVSHXSNLCBZDR-FHSNZYRGSA-N -1 3 385.428 0.152 20 0 GCADHM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574718198 949768149 /nfs/dbraw/zinc/76/81/49/949768149.db2.gz SZOFHQHVPYDTQC-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574718198 949768164 /nfs/dbraw/zinc/76/81/64/949768164.db2.gz SZOFHQHVPYDTQC-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575882338 949768360 /nfs/dbraw/zinc/76/83/60/949768360.db2.gz IXFPBAHQALCCDD-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cnoc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882338 949768377 /nfs/dbraw/zinc/76/83/77/949768377.db2.gz IXFPBAHQALCCDD-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575278764 949768878 /nfs/dbraw/zinc/76/88/78/949768878.db2.gz VJMRMSMGXSPUFR-SNVBAGLBSA-N -1 3 383.416 0.127 20 0 GCADHM C[C@@H](NC(=O)CCc1cn[nH]c1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575278764 949768891 /nfs/dbraw/zinc/76/88/91/949768891.db2.gz VJMRMSMGXSPUFR-SNVBAGLBSA-N -1 3 383.416 0.127 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCNC1=O ZINC001573821304 949769803 /nfs/dbraw/zinc/76/98/03/949769803.db2.gz AAKRFJGOQJWSIQ-CHWSQXEVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCNC1=O ZINC001573821304 949769829 /nfs/dbraw/zinc/76/98/29/949769829.db2.gz AAKRFJGOQJWSIQ-CHWSQXEVSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](NC(=O)CCc1nccs1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575278810 949771166 /nfs/dbraw/zinc/77/11/66/949771166.db2.gz VSWHHPWRWLHFCJ-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](NC(=O)CCc1nccs1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575278810 949771185 /nfs/dbraw/zinc/77/11/85/949771185.db2.gz VSWHHPWRWLHFCJ-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574718258 949771867 /nfs/dbraw/zinc/77/18/67/949771867.db2.gz ZPWFZFWNZBAXAS-ONGXEEELSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574718258 949771885 /nfs/dbraw/zinc/77/18/85/949771885.db2.gz ZPWFZFWNZBAXAS-ONGXEEELSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)COCC1CC1 ZINC001575882381 949773081 /nfs/dbraw/zinc/77/30/81/949773081.db2.gz JVHWZCYDHMDBLY-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)COCC1CC1 ZINC001575882381 949773108 /nfs/dbraw/zinc/77/31/08/949773108.db2.gz JVHWZCYDHMDBLY-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1cccnc1 ZINC001575278854 949773265 /nfs/dbraw/zinc/77/32/65/949773265.db2.gz WGVKQEZIABDAMZ-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1cccnc1 ZINC001575278854 949773287 /nfs/dbraw/zinc/77/32/87/949773287.db2.gz WGVKQEZIABDAMZ-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)COCC1CC1 ZINC001575882383 949773655 /nfs/dbraw/zinc/77/36/55/949773655.db2.gz JVHWZCYDHMDBLY-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)COCC1CC1 ZINC001575882383 949773680 /nfs/dbraw/zinc/77/36/80/949773680.db2.gz JVHWZCYDHMDBLY-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574137911 949776666 /nfs/dbraw/zinc/77/66/66/949776666.db2.gz YUXSYXHEUVJURN-AAEUAGOBSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574137911 949776677 /nfs/dbraw/zinc/77/66/77/949776677.db2.gz YUXSYXHEUVJURN-AAEUAGOBSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575560098 949777754 /nfs/dbraw/zinc/77/77/54/949777754.db2.gz KQXAHRIAYZZUNY-LJMKFJKQSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575560098 949777766 /nfs/dbraw/zinc/77/77/66/949777766.db2.gz KQXAHRIAYZZUNY-LJMKFJKQSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574138064 949779280 /nfs/dbraw/zinc/77/92/80/949779280.db2.gz ZTLULQSYOOFONY-LBPRGKRZSA-N -1 3 377.449 0.428 20 0 GCADHM CC(C)C[C@H](C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574138064 949779296 /nfs/dbraw/zinc/77/92/96/949779296.db2.gz ZTLULQSYOOFONY-LBPRGKRZSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575279546 949781562 /nfs/dbraw/zinc/78/15/62/949781562.db2.gz YXSIVVFYQVZEOK-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575279546 949781573 /nfs/dbraw/zinc/78/15/73/949781573.db2.gz YXSIVVFYQVZEOK-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001574138132 949782167 /nfs/dbraw/zinc/78/21/67/949782167.db2.gz AZQQCJJIHONARE-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001574138132 949782191 /nfs/dbraw/zinc/78/21/91/949782191.db2.gz AZQQCJJIHONARE-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575882762 949787190 /nfs/dbraw/zinc/78/71/90/949787190.db2.gz ACFVDLYTSQLPJP-ZYHUDNBSSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575882762 949787205 /nfs/dbraw/zinc/78/72/05/949787205.db2.gz ACFVDLYTSQLPJP-ZYHUDNBSSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574718528 949787723 /nfs/dbraw/zinc/78/77/23/949787723.db2.gz YNCXCWMIPICRNK-ZJUUUORDSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574718528 949787742 /nfs/dbraw/zinc/78/77/42/949787742.db2.gz YNCXCWMIPICRNK-ZJUUUORDSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](NC(=O)CCc1ccn(C)n1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575279756 949788813 /nfs/dbraw/zinc/78/88/13/949788813.db2.gz ZJWKGCINONOPNO-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1ccn(C)n1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575279756 949788825 /nfs/dbraw/zinc/78/88/25/949788825.db2.gz ZJWKGCINONOPNO-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCn1ccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574720483 949789388 /nfs/dbraw/zinc/78/93/88/949789388.db2.gz AIRZIXMCTBIAKE-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCn1ccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574720483 949789401 /nfs/dbraw/zinc/78/94/01/949789401.db2.gz AIRZIXMCTBIAKE-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575882831 949791887 /nfs/dbraw/zinc/79/18/87/949791887.db2.gz ATXHIOQCXLOVQZ-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575882831 949791908 /nfs/dbraw/zinc/79/19/08/949791908.db2.gz ATXHIOQCXLOVQZ-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573822370 949792822 /nfs/dbraw/zinc/79/28/22/949792822.db2.gz ICSCXLGKQISGPK-JFGNBEQYSA-N -1 3 390.423 0.465 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573822370 949792838 /nfs/dbraw/zinc/79/28/38/949792838.db2.gz ICSCXLGKQISGPK-JFGNBEQYSA-N -1 3 390.423 0.465 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172136 949794966 /nfs/dbraw/zinc/79/49/66/949794966.db2.gz VOOLMGJHXQGHOU-AAEUAGOBSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](CN(C)C(=O)CCCNC(=O)C1CC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574720540 949795991 /nfs/dbraw/zinc/79/59/91/949795991.db2.gz CBKDLLQFSLWIRM-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CN(C)C(=O)CCCNC(=O)C1CC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574720540 949796001 /nfs/dbraw/zinc/79/60/01/949796001.db2.gz CBKDLLQFSLWIRM-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575281045 949796931 /nfs/dbraw/zinc/79/69/31/949796931.db2.gz BZETYRJEMQMXDA-GHMZBOCLSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575281045 949796945 /nfs/dbraw/zinc/79/69/45/949796945.db2.gz BZETYRJEMQMXDA-GHMZBOCLSA-N -1 3 375.433 0.777 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1cncn1 ZINC001573822639 949800733 /nfs/dbraw/zinc/80/07/33/949800733.db2.gz LJNXVASVAWBYQW-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1cncn1 ZINC001573822639 949800754 /nfs/dbraw/zinc/80/07/54/949800754.db2.gz LJNXVASVAWBYQW-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575281155 949800719 /nfs/dbraw/zinc/80/07/19/949800719.db2.gz DIGFCYBMCKAJBS-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575281155 949800736 /nfs/dbraw/zinc/80/07/36/949800736.db2.gz DIGFCYBMCKAJBS-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281182 949801929 /nfs/dbraw/zinc/80/19/29/949801929.db2.gz DNVPWUTYMUMJCU-SNVBAGLBSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281182 949801953 /nfs/dbraw/zinc/80/19/53/949801953.db2.gz DNVPWUTYMUMJCU-SNVBAGLBSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575281261 949803907 /nfs/dbraw/zinc/80/39/07/949803907.db2.gz FDYXKESUKTXCID-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575281261 949803939 /nfs/dbraw/zinc/80/39/39/949803939.db2.gz FDYXKESUKTXCID-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCC[C@@H](C)C1 ZINC001576172406 949804454 /nfs/dbraw/zinc/80/44/54/949804454.db2.gz WUAMMHFCPQNPEY-CHWSQXEVSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721113 949810514 /nfs/dbraw/zinc/81/05/14/949810514.db2.gz JJWSOZAHWVQHCN-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721113 949810526 /nfs/dbraw/zinc/81/05/26/949810526.db2.gz JJWSOZAHWVQHCN-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576172603 949811808 /nfs/dbraw/zinc/81/18/08/949811808.db2.gz XVHMJQSGCQZRCB-TZMCWYRMSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576172603 949811820 /nfs/dbraw/zinc/81/18/20/949811820.db2.gz XVHMJQSGCQZRCB-TZMCWYRMSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575281834 949815504 /nfs/dbraw/zinc/81/55/04/949815504.db2.gz HNSFGUKAXDNCMP-NEPJUHHUSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575281834 949815528 /nfs/dbraw/zinc/81/55/28/949815528.db2.gz HNSFGUKAXDNCMP-NEPJUHHUSA-N -1 3 385.432 0.517 20 0 GCADHM CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1c[nH]cn1 ZINC001573822996 949816071 /nfs/dbraw/zinc/81/60/71/949816071.db2.gz PILNGVUEOIUWAV-LBPRGKRZSA-N -1 3 384.448 0.955 20 0 GCADHM CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1c[nH]cn1 ZINC001573822996 949816087 /nfs/dbraw/zinc/81/60/87/949816087.db2.gz PILNGVUEOIUWAV-LBPRGKRZSA-N -1 3 384.448 0.955 20 0 GCADHM CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1c[nH]cn1 ZINC001573822995 949816294 /nfs/dbraw/zinc/81/62/94/949816294.db2.gz PILNGVUEOIUWAV-GFCCVEGCSA-N -1 3 384.448 0.955 20 0 GCADHM CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1c[nH]cn1 ZINC001573822995 949816317 /nfs/dbraw/zinc/81/63/17/949816317.db2.gz PILNGVUEOIUWAV-GFCCVEGCSA-N -1 3 384.448 0.955 20 0 GCADHM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281840 949817649 /nfs/dbraw/zinc/81/76/49/949817649.db2.gz HNSFGUKAXDNCMP-RYUDHWBXSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281840 949817679 /nfs/dbraw/zinc/81/76/79/949817679.db2.gz HNSFGUKAXDNCMP-RYUDHWBXSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](CC(=O)N1CCC(N(C)c2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574482057 949820155 /nfs/dbraw/zinc/82/01/55/949820155.db2.gz ZVYQFQMFZJMIMF-NSHDSACASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC(N(C)c2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574482057 949820163 /nfs/dbraw/zinc/82/01/63/949820163.db2.gz ZVYQFQMFZJMIMF-NSHDSACASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccn1 ZINC001574483502 949820326 /nfs/dbraw/zinc/82/03/26/949820326.db2.gz ARMVXDNTMOAUFN-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccn1 ZINC001574483502 949820352 /nfs/dbraw/zinc/82/03/52/949820352.db2.gz ARMVXDNTMOAUFN-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576172737 949821301 /nfs/dbraw/zinc/82/13/01/949821301.db2.gz VVKYTSFBVYGMCF-TZMCWYRMSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576172737 949821321 /nfs/dbraw/zinc/82/13/21/949821321.db2.gz VVKYTSFBVYGMCF-TZMCWYRMSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574139920 949821827 /nfs/dbraw/zinc/82/18/27/949821827.db2.gz LLDKXWKZWUKXGU-AAEUAGOBSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574139920 949821845 /nfs/dbraw/zinc/82/18/45/949821845.db2.gz LLDKXWKZWUKXGU-AAEUAGOBSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574139926 949822136 /nfs/dbraw/zinc/82/21/36/949822136.db2.gz LLRZLAPBBULUNP-RYUDHWBXSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574139926 949822155 /nfs/dbraw/zinc/82/21/55/949822155.db2.gz LLRZLAPBBULUNP-RYUDHWBXSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576172879 949822346 /nfs/dbraw/zinc/82/23/46/949822346.db2.gz YYFNFDKFMNKRFT-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576172879 949822361 /nfs/dbraw/zinc/82/23/61/949822361.db2.gz YYFNFDKFMNKRFT-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1cncn1 ZINC001573823268 949822386 /nfs/dbraw/zinc/82/23/86/949822386.db2.gz SPMIPFZITFOVTR-LBPRGKRZSA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1cncn1 ZINC001573823268 949822403 /nfs/dbraw/zinc/82/24/03/949822403.db2.gz SPMIPFZITFOVTR-LBPRGKRZSA-N -1 3 388.411 0.635 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2c[nH]cn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575883693 949824447 /nfs/dbraw/zinc/82/44/47/949824447.db2.gz SLMJUOMVACIANI-QMTHXVAHSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575562398 949826169 /nfs/dbraw/zinc/82/61/69/949826169.db2.gz GLDBONIIEPQARU-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575562398 949826189 /nfs/dbraw/zinc/82/61/89/949826189.db2.gz GLDBONIIEPQARU-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575562589 949826577 /nfs/dbraw/zinc/82/65/77/949826577.db2.gz HNOUNMXYALXQIH-KPZWWZAWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575562589 949826589 /nfs/dbraw/zinc/82/65/89/949826589.db2.gz HNOUNMXYALXQIH-KPZWWZAWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)c1ccon1 ZINC001576172898 949827004 /nfs/dbraw/zinc/82/70/04/949827004.db2.gz ZCFRGMJUWZYQII-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1ccon1 ZINC001576172898 949827025 /nfs/dbraw/zinc/82/70/25/949827025.db2.gz ZCFRGMJUWZYQII-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575883939 949833689 /nfs/dbraw/zinc/83/36/89/949833689.db2.gz HPISBIQXQNLDSI-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575883939 949833709 /nfs/dbraw/zinc/83/37/09/949833709.db2.gz HPISBIQXQNLDSI-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574483704 949835410 /nfs/dbraw/zinc/83/54/10/949835410.db2.gz JBZZQWOIKBMHRU-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574483704 949835434 /nfs/dbraw/zinc/83/54/34/949835434.db2.gz JBZZQWOIKBMHRU-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1)NC(N)=O ZINC001574483731 949835702 /nfs/dbraw/zinc/83/57/02/949835702.db2.gz KGEHSRJRMMPHSY-LLVKDONJSA-N -1 3 390.423 0.097 20 0 GCADHM C[C@H](CC(=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1)NC(N)=O ZINC001574483731 949835720 /nfs/dbraw/zinc/83/57/20/949835720.db2.gz KGEHSRJRMMPHSY-LLVKDONJSA-N -1 3 390.423 0.097 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574483863 949840568 /nfs/dbraw/zinc/84/05/68/949840568.db2.gz NWXJGMNUZUXLNM-DOMZBBRYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574483863 949840594 /nfs/dbraw/zinc/84/05/94/949840594.db2.gz NWXJGMNUZUXLNM-DOMZBBRYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](NC(=O)CN(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)C1CC1 ZINC001575282492 949840828 /nfs/dbraw/zinc/84/08/28/949840828.db2.gz CFBHUOOJTCFESD-NSHDSACASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)C1CC1 ZINC001575282492 949840848 /nfs/dbraw/zinc/84/08/48/949840848.db2.gz CFBHUOOJTCFESD-NSHDSACASA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001574140673 949842867 /nfs/dbraw/zinc/84/28/67/949842867.db2.gz PCPFRWQZGKICKY-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001574140673 949842896 /nfs/dbraw/zinc/84/28/96/949842896.db2.gz PCPFRWQZGKICKY-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCNC1=O ZINC001575563624 949844634 /nfs/dbraw/zinc/84/46/34/949844634.db2.gz LHQWBLJEYPDLPQ-UGSOOPFHSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573824126 949844341 /nfs/dbraw/zinc/84/43/41/949844341.db2.gz CJDJWTICQFNJOP-KGPNIALWSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573824126 949844364 /nfs/dbraw/zinc/84/43/64/949844364.db2.gz CJDJWTICQFNJOP-KGPNIALWSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573824158 949844410 /nfs/dbraw/zinc/84/44/10/949844410.db2.gz DHLOPLRFLQWEFY-NQBHXWOUSA-N -1 3 387.448 0.404 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573824158 949844420 /nfs/dbraw/zinc/84/44/20/949844420.db2.gz DHLOPLRFLQWEFY-NQBHXWOUSA-N -1 3 387.448 0.404 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573824048 949844551 /nfs/dbraw/zinc/84/45/51/949844551.db2.gz CIFPJXGYZKBPDQ-AAEUAGOBSA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573824048 949844574 /nfs/dbraw/zinc/84/45/74/949844574.db2.gz CIFPJXGYZKBPDQ-AAEUAGOBSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCNC1=O ZINC001575563624 949844658 /nfs/dbraw/zinc/84/46/58/949844658.db2.gz LHQWBLJEYPDLPQ-UGSOOPFHSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574141279 949847101 /nfs/dbraw/zinc/84/71/01/949847101.db2.gz SHQROLPUALSIIZ-TZMCWYRMSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574141279 949847127 /nfs/dbraw/zinc/84/71/27/949847127.db2.gz SHQROLPUALSIIZ-TZMCWYRMSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575563856 949847919 /nfs/dbraw/zinc/84/79/19/949847919.db2.gz MPLREJCVGNLXDO-FZKQIMNGSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575563856 949847945 /nfs/dbraw/zinc/84/79/45/949847945.db2.gz MPLREJCVGNLXDO-FZKQIMNGSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575563925 949850945 /nfs/dbraw/zinc/85/09/45/949850945.db2.gz NDAXVZYRCJIZBK-KJBLDROHSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@]1(C(=O)NC2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575563925 949850970 /nfs/dbraw/zinc/85/09/70/949850970.db2.gz NDAXVZYRCJIZBK-KJBLDROHSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2cncn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575884678 949852453 /nfs/dbraw/zinc/85/24/53/949852453.db2.gz VJVWHKHFWMICKP-GWCFXTLKSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2cncn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575884678 949852471 /nfs/dbraw/zinc/85/24/71/949852471.db2.gz VJVWHKHFWMICKP-GWCFXTLKSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1conc1C1CC1 ZINC001574966786 949855213 /nfs/dbraw/zinc/85/52/13/949855213.db2.gz CEMPHJYZUKKAQS-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1conc1C1CC1 ZINC001574966786 949855232 /nfs/dbraw/zinc/85/52/32/949855232.db2.gz CEMPHJYZUKKAQS-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574723723 949855500 /nfs/dbraw/zinc/85/55/00/949855500.db2.gz CBBYTMABBFTWMN-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574723723 949855515 /nfs/dbraw/zinc/85/55/15/949855515.db2.gz CBBYTMABBFTWMN-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](NC(=O)CO[C@H]1CCOC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575283052 949857265 /nfs/dbraw/zinc/85/72/65/949857265.db2.gz NBIPNNAJSZXXOY-AAEUAGOBSA-N -1 3 392.485 0.670 20 0 GCADHM C[C@@H](CC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)NC(N)=O ZINC001574484085 949859297 /nfs/dbraw/zinc/85/92/97/949859297.db2.gz TYCHLIIMBGYUMZ-JTQLQIEISA-N -1 3 378.462 0.019 20 0 GCADHM CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573824974 949860310 /nfs/dbraw/zinc/86/03/10/949860310.db2.gz JRDRQOYATMPOLY-AAEUAGOBSA-N -1 3 387.437 0.442 20 0 GCADHM CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573824974 949860333 /nfs/dbraw/zinc/86/03/33/949860333.db2.gz JRDRQOYATMPOLY-AAEUAGOBSA-N -1 3 387.437 0.442 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001576177794 949861314 /nfs/dbraw/zinc/86/13/14/949861314.db2.gz BPNJRAJXLJLBLN-SKDRFNHKSA-N -1 3 386.395 0.872 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573825189 949861265 /nfs/dbraw/zinc/86/12/65/949861265.db2.gz MALALUQKJSRWEB-KGPNIALWSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573825189 949861287 /nfs/dbraw/zinc/86/12/87/949861287.db2.gz MALALUQKJSRWEB-KGPNIALWSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574723971 949862700 /nfs/dbraw/zinc/86/27/00/949862700.db2.gz DBXIADVEOVQIAJ-LBPRGKRZSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574723971 949862714 /nfs/dbraw/zinc/86/27/14/949862714.db2.gz DBXIADVEOVQIAJ-LBPRGKRZSA-N -1 3 383.416 0.168 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573825188 949862716 /nfs/dbraw/zinc/86/27/16/949862716.db2.gz MALALUQKJSRWEB-GDKBPFBDSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573825188 949862736 /nfs/dbraw/zinc/86/27/36/949862736.db2.gz MALALUQKJSRWEB-GDKBPFBDSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575283355 949864577 /nfs/dbraw/zinc/86/45/77/949864577.db2.gz FSKZRYSOPQLMJU-DGCLKSJQSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283355 949864606 /nfs/dbraw/zinc/86/46/06/949864606.db2.gz FSKZRYSOPQLMJU-DGCLKSJQSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575885346 949865871 /nfs/dbraw/zinc/86/58/71/949865871.db2.gz WLINUXSPBBRDCL-HHHUMZEGSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575885346 949865891 /nfs/dbraw/zinc/86/58/91/949865891.db2.gz WLINUXSPBBRDCL-HHHUMZEGSA-N -1 3 385.428 0.197 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573825281 949867151 /nfs/dbraw/zinc/86/71/51/949867151.db2.gz PRTBKFDNGLXOMM-GFCCVEGCSA-N -1 3 392.489 0.312 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1=O)[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575283302 949867200 /nfs/dbraw/zinc/86/72/00/949867200.db2.gz FDSOEEJHDIGAMS-GHMZBOCLSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1=O)[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575283302 949867222 /nfs/dbraw/zinc/86/72/22/949867222.db2.gz FDSOEEJHDIGAMS-GHMZBOCLSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccncn1)C1CC1 ZINC001574967276 949867988 /nfs/dbraw/zinc/86/79/88/949867988.db2.gz GIKWOVRROYMYFK-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccncn1)C1CC1 ZINC001574967276 949868002 /nfs/dbraw/zinc/86/80/02/949868002.db2.gz GIKWOVRROYMYFK-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575283402 949869197 /nfs/dbraw/zinc/86/91/97/949869197.db2.gz ORVLIYUKNHMIIF-RYUDHWBXSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575283402 949869216 /nfs/dbraw/zinc/86/92/16/949869216.db2.gz ORVLIYUKNHMIIF-RYUDHWBXSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576177936 949869198 /nfs/dbraw/zinc/86/91/98/949869198.db2.gz ABBDEJFVCKVDLZ-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576177936 949869217 /nfs/dbraw/zinc/86/92/17/949869217.db2.gz ABBDEJFVCKVDLZ-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575885741 949871190 /nfs/dbraw/zinc/87/11/90/949871190.db2.gz KZPUVGBJBWVSEE-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575885741 949871218 /nfs/dbraw/zinc/87/12/18/949871218.db2.gz KZPUVGBJBWVSEE-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575283398 949871986 /nfs/dbraw/zinc/87/19/86/949871986.db2.gz ORVLIYUKNHMIIF-NEPJUHHUSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575283398 949872002 /nfs/dbraw/zinc/87/20/02/949872002.db2.gz ORVLIYUKNHMIIF-NEPJUHHUSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575283602 949873910 /nfs/dbraw/zinc/87/39/10/949873910.db2.gz QHPAGWCZZIKMHI-GHMZBOCLSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575283602 949873925 /nfs/dbraw/zinc/87/39/25/949873925.db2.gz QHPAGWCZZIKMHI-GHMZBOCLSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1cncn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574724335 949874153 /nfs/dbraw/zinc/87/41/53/949874153.db2.gz HDGBDMSTROZVJH-SNVBAGLBSA-N -1 3 390.839 0.856 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574724335 949874174 /nfs/dbraw/zinc/87/41/74/949874174.db2.gz HDGBDMSTROZVJH-SNVBAGLBSA-N -1 3 390.839 0.856 20 0 GCADHM C[C@H](NC(=O)CN(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001575283650 949879785 /nfs/dbraw/zinc/87/97/85/949879785.db2.gz GPKZSRBDHGEVEX-NSHDSACASA-N -1 3 386.416 0.327 20 0 GCADHM C[C@H](NC(=O)CN(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001575283650 949879805 /nfs/dbraw/zinc/87/98/05/949879805.db2.gz GPKZSRBDHGEVEX-NSHDSACASA-N -1 3 386.416 0.327 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001574967975 949879992 /nfs/dbraw/zinc/87/99/92/949879992.db2.gz KSQCBYCAXKWQLC-NWDGAFQWSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001574967975 949880016 /nfs/dbraw/zinc/88/00/16/949880016.db2.gz KSQCBYCAXKWQLC-NWDGAFQWSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H](C)NC(=O)CCn1cnnn1 ZINC001575283689 949882130 /nfs/dbraw/zinc/88/21/30/949882130.db2.gz GSEWZGURYDLEPL-DTWKUNHWSA-N -1 3 391.827 0.297 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H](C)NC(=O)CCn1cnnn1 ZINC001575283689 949882150 /nfs/dbraw/zinc/88/21/50/949882150.db2.gz GSEWZGURYDLEPL-DTWKUNHWSA-N -1 3 391.827 0.297 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cn1cccn1 ZINC001575886419 949882579 /nfs/dbraw/zinc/88/25/79/949882579.db2.gz MFZHKGDZBMWDKS-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cn1cccn1 ZINC001575886419 949882597 /nfs/dbraw/zinc/88/25/97/949882597.db2.gz MFZHKGDZBMWDKS-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575283659 949882858 /nfs/dbraw/zinc/88/28/58/949882858.db2.gz GPQYYSHYOARBRZ-ZIAGYGMSSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@H](C(=O)N1CCC(C)CC1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576178233 949884546 /nfs/dbraw/zinc/88/45/46/949884546.db2.gz GURQPJJFPIRBPR-CYBMUJFWSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575886433 949885105 /nfs/dbraw/zinc/88/51/05/949885105.db2.gz YEAYSODDJGVSFX-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575886433 949885117 /nfs/dbraw/zinc/88/51/17/949885117.db2.gz YEAYSODDJGVSFX-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574725071 949890035 /nfs/dbraw/zinc/89/00/35/949890035.db2.gz OVCFIBXWEAFRMD-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574725071 949890054 /nfs/dbraw/zinc/89/00/54/949890054.db2.gz OVCFIBXWEAFRMD-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574968195 949890640 /nfs/dbraw/zinc/89/06/40/949890640.db2.gz MYNWEBVVFXPBBB-NSHDSACASA-N -1 3 381.444 0.739 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574968195 949890660 /nfs/dbraw/zinc/89/06/60/949890660.db2.gz MYNWEBVVFXPBBB-NSHDSACASA-N -1 3 381.444 0.739 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574725513 949896925 /nfs/dbraw/zinc/89/69/25/949896925.db2.gz SEJLURFUXDIUJP-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574725513 949896946 /nfs/dbraw/zinc/89/69/46/949896946.db2.gz SEJLURFUXDIUJP-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575887300 949897649 /nfs/dbraw/zinc/89/76/49/949897649.db2.gz YSSWZVVQGRNSLI-CABZTGNLSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575887300 949897673 /nfs/dbraw/zinc/89/76/73/949897673.db2.gz YSSWZVVQGRNSLI-CABZTGNLSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575887222 949898578 /nfs/dbraw/zinc/89/85/78/949898578.db2.gz OAFRKICCTCUXLI-RISCZKNCSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575887222 949898614 /nfs/dbraw/zinc/89/86/14/949898614.db2.gz OAFRKICCTCUXLI-RISCZKNCSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccn(C)n1 ZINC001575887264 949900692 /nfs/dbraw/zinc/90/06/92/949900692.db2.gz YOKJBERMQAGKDC-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccn(C)n1 ZINC001575887264 949900707 /nfs/dbraw/zinc/90/07/07/949900707.db2.gz YOKJBERMQAGKDC-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574725512 949901005 /nfs/dbraw/zinc/90/10/05/949901005.db2.gz SEJLURFUXDIUJP-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574725512 949901024 /nfs/dbraw/zinc/90/10/24/949901024.db2.gz SEJLURFUXDIUJP-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(Cl)no1 ZINC001574968611 949902014 /nfs/dbraw/zinc/90/20/14/949902014.db2.gz QSUUSFZAOHQTLH-ZETCQYMHSA-N -1 3 378.780 0.632 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(Cl)no1 ZINC001574968611 949902030 /nfs/dbraw/zinc/90/20/30/949902030.db2.gz QSUUSFZAOHQTLH-ZETCQYMHSA-N -1 3 378.780 0.632 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1c(F)cncc1F ZINC001574968619 949902667 /nfs/dbraw/zinc/90/26/67/949902667.db2.gz QZUWHXPKAQSBDG-QMMMGPOBSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1c(F)cncc1F ZINC001574968619 949902689 /nfs/dbraw/zinc/90/26/89/949902689.db2.gz QZUWHXPKAQSBDG-QMMMGPOBSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1csnn1)C1CC1 ZINC001574968566 949903007 /nfs/dbraw/zinc/90/30/07/949903007.db2.gz QBASPCVFVYQWJE-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1csnn1)C1CC1 ZINC001574968566 949903021 /nfs/dbraw/zinc/90/30/21/949903021.db2.gz QBASPCVFVYQWJE-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1c(F)cncc1F ZINC001574968618 949905143 /nfs/dbraw/zinc/90/51/43/949905143.db2.gz QZUWHXPKAQSBDG-MRVPVSSYSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1c(F)cncc1F ZINC001574968618 949905159 /nfs/dbraw/zinc/90/51/59/949905159.db2.gz QZUWHXPKAQSBDG-MRVPVSSYSA-N -1 3 390.354 0.664 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575569090 949906821 /nfs/dbraw/zinc/90/68/21/949906821.db2.gz FYEDXGRMQDWBQW-FZKQIMNGSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575569090 949906839 /nfs/dbraw/zinc/90/68/39/949906839.db2.gz FYEDXGRMQDWBQW-FZKQIMNGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575284627 949910135 /nfs/dbraw/zinc/91/01/35/949910135.db2.gz KBPVXQJBEQOOFW-ZJUUUORDSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575284627 949910148 /nfs/dbraw/zinc/91/01/48/949910148.db2.gz KBPVXQJBEQOOFW-ZJUUUORDSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574968805 949914943 /nfs/dbraw/zinc/91/49/43/949914943.db2.gz SQVXSOFTVNZTML-LLVKDONJSA-N -1 3 381.444 0.962 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574968805 949914960 /nfs/dbraw/zinc/91/49/60/949914960.db2.gz SQVXSOFTVNZTML-LLVKDONJSA-N -1 3 381.444 0.962 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284702 949917639 /nfs/dbraw/zinc/91/76/39/949917639.db2.gz VWTWMYRDTQDMNZ-NEPJUHHUSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284702 949917652 /nfs/dbraw/zinc/91/76/52/949917652.db2.gz VWTWMYRDTQDMNZ-NEPJUHHUSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H](C)OCC1CC1 ZINC001574968932 949918082 /nfs/dbraw/zinc/91/80/82/949918082.db2.gz WDPXDUXGVFDMAK-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H](C)OCC1CC1 ZINC001574968932 949918096 /nfs/dbraw/zinc/91/80/96/949918096.db2.gz WDPXDUXGVFDMAK-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576179531 949918274 /nfs/dbraw/zinc/91/82/74/949918274.db2.gz AQGARHQTAFOFMG-RYUDHWBXSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576179531 949918296 /nfs/dbraw/zinc/91/82/96/949918296.db2.gz AQGARHQTAFOFMG-RYUDHWBXSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cnc2n1CCC2 ZINC001574968916 949920237 /nfs/dbraw/zinc/92/02/37/949920237.db2.gz VNXGFYGEOYOBTF-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)CCC1 ZINC001575569368 949920400 /nfs/dbraw/zinc/92/04/00/949920400.db2.gz JSIDNWHQTOLMJH-CHWSQXEVSA-N -1 3 375.408 0.647 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)CCC1 ZINC001575569368 949920418 /nfs/dbraw/zinc/92/04/18/949920418.db2.gz JSIDNWHQTOLMJH-CHWSQXEVSA-N -1 3 375.408 0.647 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cnc2n1CCC2 ZINC001574968916 949920257 /nfs/dbraw/zinc/92/02/57/949920257.db2.gz VNXGFYGEOYOBTF-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574485250 949922768 /nfs/dbraw/zinc/92/27/68/949922768.db2.gz VUSUDZJKAHJHEJ-MNOVXSKESA-N -1 3 390.423 0.856 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574485250 949922786 /nfs/dbraw/zinc/92/27/86/949922786.db2.gz VUSUDZJKAHJHEJ-MNOVXSKESA-N -1 3 390.423 0.856 20 0 GCADHM CC(C)C[C@H](C)OCCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574145387 949923508 /nfs/dbraw/zinc/92/35/08/949923508.db2.gz SGDOSDPXTHEAKR-LBPRGKRZSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@H](C)OCCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574145387 949923529 /nfs/dbraw/zinc/92/35/29/949923529.db2.gz SGDOSDPXTHEAKR-LBPRGKRZSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)/C=C/C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573827635 949923459 /nfs/dbraw/zinc/92/34/59/949923459.db2.gz NAMQRDCVDJCKKJ-NNNHXZLVSA-N -1 3 387.444 0.754 20 0 GCADHM CC(C)(C)/C=C/C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573827635 949923477 /nfs/dbraw/zinc/92/34/77/949923477.db2.gz NAMQRDCVDJCKKJ-NNNHXZLVSA-N -1 3 387.444 0.754 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575889047 949926459 /nfs/dbraw/zinc/92/64/59/949926459.db2.gz RFQSQRMMQODVAD-JSGCOSHPSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575889047 949926480 /nfs/dbraw/zinc/92/64/80/949926480.db2.gz RFQSQRMMQODVAD-JSGCOSHPSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H](NC(=O)COCc1ccnn1C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575284974 949928648 /nfs/dbraw/zinc/92/86/48/949928648.db2.gz XHSLBTBCMRBXOK-VXGBXAGGSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](NC(=O)COCc1ccnn1C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575284974 949928666 /nfs/dbraw/zinc/92/86/66/949928666.db2.gz XHSLBTBCMRBXOK-VXGBXAGGSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)CCC(=O)NC1 ZINC001575569801 949930686 /nfs/dbraw/zinc/93/06/86/949930686.db2.gz ODTKROWCFAJLDX-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCC(=O)NC1 ZINC001575569801 949930706 /nfs/dbraw/zinc/93/07/06/949930706.db2.gz ODTKROWCFAJLDX-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C)NC(N)=O ZINC001574487621 949933678 /nfs/dbraw/zinc/93/36/78/949933678.db2.gz AHFZARXBYNHZAI-ZYHUDNBSSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C)NC(N)=O ZINC001574487621 949933697 /nfs/dbraw/zinc/93/36/97/949933697.db2.gz AHFZARXBYNHZAI-ZYHUDNBSSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575889620 949933887 /nfs/dbraw/zinc/93/38/87/949933887.db2.gz SZMMTDMZLCVRCR-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575889620 949933910 /nfs/dbraw/zinc/93/39/10/949933910.db2.gz SZMMTDMZLCVRCR-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575570146 949935125 /nfs/dbraw/zinc/93/51/25/949935125.db2.gz PVAVBLYXVFVYTJ-SCLBCKFNSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575570146 949935146 /nfs/dbraw/zinc/93/51/46/949935146.db2.gz PVAVBLYXVFVYTJ-SCLBCKFNSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccn(C)c1 ZINC001575889785 949937682 /nfs/dbraw/zinc/93/76/82/949937682.db2.gz TXMYGVZEIAOGII-BXUZGUMPSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccn(C)c1 ZINC001575889785 949937702 /nfs/dbraw/zinc/93/77/02/949937702.db2.gz TXMYGVZEIAOGII-BXUZGUMPSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575285229 949938161 /nfs/dbraw/zinc/93/81/61/949938161.db2.gz ZUIUFWVYEBVQKQ-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575285229 949938181 /nfs/dbraw/zinc/93/81/81/949938181.db2.gz ZUIUFWVYEBVQKQ-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180189 949942843 /nfs/dbraw/zinc/94/28/43/949942843.db2.gz CRXBGUSYPMEYHL-NEPJUHHUSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180189 949942859 /nfs/dbraw/zinc/94/28/59/949942859.db2.gz CRXBGUSYPMEYHL-NEPJUHHUSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1ncccc1-c1nnn[n-]1 ZINC001574726819 949942728 /nfs/dbraw/zinc/94/27/28/949942728.db2.gz LMXBYXHBPUDQJP-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1ncccc1-c1nn[n-]n1 ZINC001574726819 949942743 /nfs/dbraw/zinc/94/27/43/949942743.db2.gz LMXBYXHBPUDQJP-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574488062 949943602 /nfs/dbraw/zinc/94/36/02/949943602.db2.gz CWNSJHXANPJSPO-YPMHNXCESA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574488062 949943616 /nfs/dbraw/zinc/94/36/16/949943616.db2.gz CWNSJHXANPJSPO-YPMHNXCESA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C1CCC(O)CC1 ZINC001574972582 949943978 /nfs/dbraw/zinc/94/39/78/949943978.db2.gz DCHURHZKNRRYKR-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C1CCC(O)CC1 ZINC001574972582 949944002 /nfs/dbraw/zinc/94/40/02/949944002.db2.gz DCHURHZKNRRYKR-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnn(CCF)c1 ZINC001574972981 949944210 /nfs/dbraw/zinc/94/42/10/949944210.db2.gz FKLOVLSTFGJLHA-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnn(CCF)c1 ZINC001574972981 949944236 /nfs/dbraw/zinc/94/42/36/949944236.db2.gz FKLOVLSTFGJLHA-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnn(CCF)c1 ZINC001574972976 949945965 /nfs/dbraw/zinc/94/59/65/949945965.db2.gz FKLOVLSTFGJLHA-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnn(CCF)c1 ZINC001574972976 949945984 /nfs/dbraw/zinc/94/59/84/949945984.db2.gz FKLOVLSTFGJLHA-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001573828821 949946069 /nfs/dbraw/zinc/94/60/69/949946069.db2.gz VHCLQPBXJYGBTQ-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001573828821 949946088 /nfs/dbraw/zinc/94/60/88/949946088.db2.gz VHCLQPBXJYGBTQ-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001574488365 949947647 /nfs/dbraw/zinc/94/76/47/949947647.db2.gz DQMUONZPGFBYKS-LERXQTSPSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001574488365 949947671 /nfs/dbraw/zinc/94/76/71/949947671.db2.gz DQMUONZPGFBYKS-LERXQTSPSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1c(Cl)cnn1C ZINC001574972586 949947630 /nfs/dbraw/zinc/94/76/30/949947630.db2.gz DDUUVPHVDYWRQP-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1c(Cl)cnn1C ZINC001574972586 949947651 /nfs/dbraw/zinc/94/76/51/949947651.db2.gz DDUUVPHVDYWRQP-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)CCC(=O)NC1 ZINC001575570907 949950835 /nfs/dbraw/zinc/95/08/35/949950835.db2.gz WJIXYMWJRYWHTA-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)CCC(=O)NC1 ZINC001575570907 949950858 /nfs/dbraw/zinc/95/08/58/949950858.db2.gz WJIXYMWJRYWHTA-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)COC(C)(C)C ZINC001575890401 949951540 /nfs/dbraw/zinc/95/15/40/949951540.db2.gz XHXOLVXGCXSOTJ-PWSUYJOCSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)COC(C)(C)C ZINC001575890401 949951555 /nfs/dbraw/zinc/95/15/55/949951555.db2.gz XHXOLVXGCXSOTJ-PWSUYJOCSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cnc[nH]1 ZINC001575890544 949951954 /nfs/dbraw/zinc/95/19/54/949951954.db2.gz XUVWDRZZLOUJNF-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001574973066 949952045 /nfs/dbraw/zinc/95/20/45/949952045.db2.gz GIXWZIOWYFLMHL-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001574973066 949952062 /nfs/dbraw/zinc/95/20/62/949952062.db2.gz GIXWZIOWYFLMHL-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCOC1 ZINC001574147792 949954516 /nfs/dbraw/zinc/95/45/16/949954516.db2.gz CJFMATJIEATBNO-AAEUAGOBSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCOC1 ZINC001574147792 949954541 /nfs/dbraw/zinc/95/45/41/949954541.db2.gz CJFMATJIEATBNO-AAEUAGOBSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)COC1CCCC1 ZINC001575890571 949959135 /nfs/dbraw/zinc/95/91/35/949959135.db2.gz YDJKNUITDKFPFV-FZMZJTMJSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)COC1CCCC1 ZINC001575890571 949959157 /nfs/dbraw/zinc/95/91/57/949959157.db2.gz YDJKNUITDKFPFV-FZMZJTMJSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H](NC(=O)CN1CCCCC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285868 949961708 /nfs/dbraw/zinc/96/17/08/949961708.db2.gz RNTGUCHGFOJNGI-QWRGUYRKSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@H](NC(=O)CN1CCCCC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285868 949961725 /nfs/dbraw/zinc/96/17/25/949961725.db2.gz RNTGUCHGFOJNGI-QWRGUYRKSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@H](C(=O)N1CCC(C)CC1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576180563 949962676 /nfs/dbraw/zinc/96/26/76/949962676.db2.gz OZEFRLRLVFRKBW-CYBMUJFWSA-N -1 3 388.476 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)CC(C)(C)O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147868 949963111 /nfs/dbraw/zinc/96/31/11/949963111.db2.gz FCZKCKSKWJTQDI-LLVKDONJSA-N -1 3 377.449 0.617 20 0 GCADHM CC(C)C[C@H](CNC(=O)CC(C)(C)O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147868 949963128 /nfs/dbraw/zinc/96/31/28/949963128.db2.gz FCZKCKSKWJTQDI-LLVKDONJSA-N -1 3 377.449 0.617 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1csnn1 ZINC001574147980 949965781 /nfs/dbraw/zinc/96/57/81/949965781.db2.gz HXWDORIVTIZWJU-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1csnn1 ZINC001574147980 949965802 /nfs/dbraw/zinc/96/58/02/949965802.db2.gz HXWDORIVTIZWJU-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573829738 949967476 /nfs/dbraw/zinc/96/74/76/949967476.db2.gz DGTCJZZZAFOIPL-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573829738 949967495 /nfs/dbraw/zinc/96/74/95/949967495.db2.gz DGTCJZZZAFOIPL-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575286043 949969579 /nfs/dbraw/zinc/96/95/79/949969579.db2.gz SOGIFWNSKBUFMU-BPNCWPANSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575286043 949969585 /nfs/dbraw/zinc/96/95/85/949969585.db2.gz SOGIFWNSKBUFMU-BPNCWPANSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574727540 949969636 /nfs/dbraw/zinc/96/96/36/949969636.db2.gz UYMCSZFLTWWTOM-VIFPVBQESA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574727540 949969658 /nfs/dbraw/zinc/96/96/58/949969658.db2.gz UYMCSZFLTWWTOM-VIFPVBQESA-N -1 3 392.851 0.700 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573829989 949969728 /nfs/dbraw/zinc/96/97/28/949969728.db2.gz GTTDNTJFAXAGCO-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573829989 949969752 /nfs/dbraw/zinc/96/97/52/949969752.db2.gz GTTDNTJFAXAGCO-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C(=O)NC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCOCC1 ZINC001575572105 949970645 /nfs/dbraw/zinc/97/06/45/949970645.db2.gz DPOLAAWSYUBHIN-AWEZNQCLSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCOCC1 ZINC001575572105 949970664 /nfs/dbraw/zinc/97/06/64/949970664.db2.gz DPOLAAWSYUBHIN-AWEZNQCLSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001575286204 949972609 /nfs/dbraw/zinc/97/26/09/949972609.db2.gz URSNCIVPXFLHMW-NEPJUHHUSA-N -1 3 383.416 0.214 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001575286204 949972623 /nfs/dbraw/zinc/97/26/23/949972623.db2.gz URSNCIVPXFLHMW-NEPJUHHUSA-N -1 3 383.416 0.214 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cn1cccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574148058 949972690 /nfs/dbraw/zinc/97/26/90/949972690.db2.gz JSOYLBKRUVDSRS-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cn1cccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148058 949972710 /nfs/dbraw/zinc/97/27/10/949972710.db2.gz JSOYLBKRUVDSRS-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575572291 949974099 /nfs/dbraw/zinc/97/40/99/949974099.db2.gz FGKLLGNCEFSJOE-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575572291 949974117 /nfs/dbraw/zinc/97/41/17/949974117.db2.gz FGKLLGNCEFSJOE-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001574974213 949974145 /nfs/dbraw/zinc/97/41/45/949974145.db2.gz MEECXOGKLQKPON-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001574974213 949974162 /nfs/dbraw/zinc/97/41/62/949974162.db2.gz MEECXOGKLQKPON-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001574974282 949975321 /nfs/dbraw/zinc/97/53/21/949975321.db2.gz NLCCHUWAOMQDLW-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001574974282 949975342 /nfs/dbraw/zinc/97/53/42/949975342.db2.gz NLCCHUWAOMQDLW-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)c1ccon1 ZINC001576180902 949976110 /nfs/dbraw/zinc/97/61/10/949976110.db2.gz KCKNLSGCZJCZSP-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1ccon1 ZINC001576180902 949976124 /nfs/dbraw/zinc/97/61/24/949976124.db2.gz KCKNLSGCZJCZSP-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccnn1 ZINC001574148092 949977370 /nfs/dbraw/zinc/97/73/70/949977370.db2.gz KHOXQEQDMHKSPB-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccnn1 ZINC001574148092 949977381 /nfs/dbraw/zinc/97/73/81/949977381.db2.gz KHOXQEQDMHKSPB-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001573830646 949977763 /nfs/dbraw/zinc/97/77/63/949977763.db2.gz MYHYEABGHIHTOD-ZWNOBZJWSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001573830646 949977776 /nfs/dbraw/zinc/97/77/76/949977776.db2.gz MYHYEABGHIHTOD-ZWNOBZJWSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)C[C@H](CNC(=O)COC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148130 949978532 /nfs/dbraw/zinc/97/85/32/949978532.db2.gz LBCRGZQGUSAHRE-CYBMUJFWSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@H](CNC(=O)COC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148130 949978552 /nfs/dbraw/zinc/97/85/52/949978552.db2.gz LBCRGZQGUSAHRE-CYBMUJFWSA-N -1 3 377.449 0.881 20 0 GCADHM C[C@H](CC(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)NC(N)=O ZINC001574490168 949980365 /nfs/dbraw/zinc/98/03/65/949980365.db2.gz NVRPQXWWOCPIOA-BMLIUANNSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H](CC(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)NC(N)=O ZINC001574490168 949980389 /nfs/dbraw/zinc/98/03/89/949980389.db2.gz NVRPQXWWOCPIOA-BMLIUANNSA-N -1 3 387.448 0.405 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001574148400 949980695 /nfs/dbraw/zinc/98/06/95/949980695.db2.gz MIVUCSDNCPQNEO-OCCSQVGLSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001574148400 949980714 /nfs/dbraw/zinc/98/07/14/949980714.db2.gz MIVUCSDNCPQNEO-OCCSQVGLSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCO1 ZINC001574148401 949980892 /nfs/dbraw/zinc/98/08/92/949980892.db2.gz MIVUCSDNCPQNEO-TZMCWYRMSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCO1 ZINC001574148401 949980920 /nfs/dbraw/zinc/98/09/20/949980920.db2.gz MIVUCSDNCPQNEO-TZMCWYRMSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](NC(=O)CN1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001575286271 949981115 /nfs/dbraw/zinc/98/11/15/949981115.db2.gz VIAIUUWWVPPIKV-NSHDSACASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574727700 949982346 /nfs/dbraw/zinc/98/23/46/949982346.db2.gz XUAKXSINZOJNGB-LLVKDONJSA-N -1 3 390.423 0.680 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574727700 949982358 /nfs/dbraw/zinc/98/23/58/949982358.db2.gz XUAKXSINZOJNGB-LLVKDONJSA-N -1 3 390.423 0.680 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574490307 949983212 /nfs/dbraw/zinc/98/32/12/949983212.db2.gz PPOBPLGVBVVROP-QEJZJMRPSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574490307 949983226 /nfs/dbraw/zinc/98/32/26/949983226.db2.gz PPOBPLGVBVVROP-QEJZJMRPSA-N -1 3 379.428 0.899 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573831058 949986858 /nfs/dbraw/zinc/98/68/58/949986858.db2.gz RNRYPADBFCEMGH-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573831058 949986873 /nfs/dbraw/zinc/98/68/73/949986873.db2.gz RNRYPADBFCEMGH-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](NC(=O)CCn1ccnn1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575286746 949987135 /nfs/dbraw/zinc/98/71/35/949987135.db2.gz YDIXPLRHFIWPJJ-ZJUUUORDSA-N -1 3 390.839 0.902 20 0 GCADHM C[C@@H](NC(=O)CCn1ccnn1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575286746 949987152 /nfs/dbraw/zinc/98/71/52/949987152.db2.gz YDIXPLRHFIWPJJ-ZJUUUORDSA-N -1 3 390.839 0.902 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575286715 949987413 /nfs/dbraw/zinc/98/74/13/949987413.db2.gz XUVGEGOPHKQYBL-VOJFVSQTSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1c[nH]cn1 ZINC001574148485 949988261 /nfs/dbraw/zinc/98/82/61/949988261.db2.gz OKQIIPRREKGQQL-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573831105 949989109 /nfs/dbraw/zinc/98/91/09/949989109.db2.gz SXIGWXIKLITIIT-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573831105 949989125 /nfs/dbraw/zinc/98/91/25/949989125.db2.gz SXIGWXIKLITIIT-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@]1(C)CCOC1 ZINC001574148468 949989494 /nfs/dbraw/zinc/98/94/94/949989494.db2.gz NWBURONZZFSDLU-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@]1(C)CCOC1 ZINC001574148468 949989511 /nfs/dbraw/zinc/98/95/11/949989511.db2.gz NWBURONZZFSDLU-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575573212 949990095 /nfs/dbraw/zinc/99/00/95/949990095.db2.gz KVASMLUIKIUMHQ-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575573212 949990116 /nfs/dbraw/zinc/99/01/16/949990116.db2.gz KVASMLUIKIUMHQ-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575287027 949993173 /nfs/dbraw/zinc/99/31/73/949993173.db2.gz ZPMVRCOXBOBTER-RYUDHWBXSA-N -1 3 383.416 0.214 20 0 GCADHM C[C@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575287027 949993188 /nfs/dbraw/zinc/99/31/88/949993188.db2.gz ZPMVRCOXBOBTER-RYUDHWBXSA-N -1 3 383.416 0.214 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)c1ccco1 ZINC001574490414 949995447 /nfs/dbraw/zinc/99/54/47/949995447.db2.gz RFGHEFASHGQRPT-HONMWMINSA-N -1 3 399.411 0.283 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575573608 949995660 /nfs/dbraw/zinc/99/56/60/949995660.db2.gz NRMWTWBPSRIMHW-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575573608 949995678 /nfs/dbraw/zinc/99/56/78/949995678.db2.gz NRMWTWBPSRIMHW-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)c1ccco1 ZINC001574490414 949995482 /nfs/dbraw/zinc/99/54/82/949995482.db2.gz RFGHEFASHGQRPT-HONMWMINSA-N -1 3 399.411 0.283 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575891234 949996363 /nfs/dbraw/zinc/99/63/63/949996363.db2.gz GVQZVZAJFOOSLK-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575891234 949996381 /nfs/dbraw/zinc/99/63/81/949996381.db2.gz GVQZVZAJFOOSLK-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575891232 949997208 /nfs/dbraw/zinc/99/72/08/949997208.db2.gz GVQZVZAJFOOSLK-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575891232 949997225 /nfs/dbraw/zinc/99/72/25/949997225.db2.gz GVQZVZAJFOOSLK-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)C1=COCCC1 ZINC001575891299 949998768 /nfs/dbraw/zinc/99/87/68/949998768.db2.gz HROWEIZLXIQSFC-AAEUAGOBSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)C1=COCCC1 ZINC001575891299 949998797 /nfs/dbraw/zinc/99/87/97/949998797.db2.gz HROWEIZLXIQSFC-AAEUAGOBSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1ncoc1C1CC1 ZINC001574974658 949999357 /nfs/dbraw/zinc/99/93/57/949999357.db2.gz REQIHHZVFYCTSM-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1ncoc1C1CC1 ZINC001574974658 949999371 /nfs/dbraw/zinc/99/93/71/949999371.db2.gz REQIHHZVFYCTSM-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cncs1 ZINC001575891348 950002430 /nfs/dbraw/zinc/00/24/30/950002430.db2.gz IPPQOHHRUZWDEB-KOLCDFICSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cncs1 ZINC001575891348 950002457 /nfs/dbraw/zinc/00/24/57/950002457.db2.gz IPPQOHHRUZWDEB-KOLCDFICSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cncs1 ZINC001575891349 950003220 /nfs/dbraw/zinc/00/32/20/950003220.db2.gz IPPQOHHRUZWDEB-MWLCHTKSSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cncs1 ZINC001575891349 950003240 /nfs/dbraw/zinc/00/32/40/950003240.db2.gz IPPQOHHRUZWDEB-MWLCHTKSSA-N -1 3 386.441 0.613 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573831467 950004172 /nfs/dbraw/zinc/00/41/72/950004172.db2.gz YYIIIKISRDPYGW-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573831467 950004197 /nfs/dbraw/zinc/00/41/97/950004197.db2.gz YYIIIKISRDPYGW-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)C[C@@H](CNC(=O)CC(C)(C)O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574149536 950008683 /nfs/dbraw/zinc/00/86/83/950008683.db2.gz VXHGQZNXOXVHJO-LBPRGKRZSA-N -1 3 377.449 0.617 20 0 GCADHM CC(C)C[C@@H](CNC(=O)CC(C)(C)O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574149536 950008706 /nfs/dbraw/zinc/00/87/06/950008706.db2.gz VXHGQZNXOXVHJO-LBPRGKRZSA-N -1 3 377.449 0.617 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575891508 950009687 /nfs/dbraw/zinc/00/96/87/950009687.db2.gz KRILEMAJQUYLNK-CABZTGNLSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575891508 950009706 /nfs/dbraw/zinc/00/97/06/950009706.db2.gz KRILEMAJQUYLNK-CABZTGNLSA-N -1 3 384.375 0.762 20 0 GCADHM 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ZINC001574151034 950052926 /nfs/dbraw/zinc/05/29/26/950052926.db2.gz JVUGVSXSWYEKKK-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccnnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151034 950052945 /nfs/dbraw/zinc/05/29/45/950052945.db2.gz JVUGVSXSWYEKKK-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001574976115 950055373 /nfs/dbraw/zinc/05/53/73/950055373.db2.gz MLKCFHXEDNPSDQ-BXKDBHETSA-N -1 3 383.416 0.273 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1csnn1 ZINC001574151078 950056214 /nfs/dbraw/zinc/05/62/14/950056214.db2.gz KQAIDEZZLWRYPA-SECBINFHSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1csnn1 ZINC001574151078 950056240 /nfs/dbraw/zinc/05/62/40/950056240.db2.gz KQAIDEZZLWRYPA-SECBINFHSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)CC(=O)N[C@H]1COC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573835563 950059445 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C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CCC2)CCNC(=O)C1 ZINC001575576116 950067337 /nfs/dbraw/zinc/06/73/37/950067337.db2.gz OFERJAJYXHDZCM-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CCC2)CCNC(=O)C1 ZINC001575576116 950067357 /nfs/dbraw/zinc/06/73/57/950067357.db2.gz OFERJAJYXHDZCM-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@H](CC(=O)NC1(CNc2ncccc2-c2nnn[n-]2)CCCC1)NC(N)=O ZINC001574492238 950069846 /nfs/dbraw/zinc/06/98/46/950069846.db2.gz LICUDIZQHBWBGN-LLVKDONJSA-N -1 3 387.448 0.550 20 0 GCADHM C[C@H](CC(=O)NC1(CNc2ncccc2-c2nn[n-]n2)CCCC1)NC(N)=O ZINC001574492238 950069865 /nfs/dbraw/zinc/06/98/65/950069865.db2.gz LICUDIZQHBWBGN-LLVKDONJSA-N -1 3 387.448 0.550 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574492247 950069981 /nfs/dbraw/zinc/06/99/81/950069981.db2.gz LLIOBVUHCMJQTL-WDEREUQCSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574492247 950070003 /nfs/dbraw/zinc/07/00/03/950070003.db2.gz LLIOBVUHCMJQTL-WDEREUQCSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575892440 950070518 /nfs/dbraw/zinc/07/05/18/950070518.db2.gz WAWHNTWGDXDYPJ-MWLCHTKSSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575892440 950070538 /nfs/dbraw/zinc/07/05/38/950070538.db2.gz WAWHNTWGDXDYPJ-MWLCHTKSSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575892468 950070598 /nfs/dbraw/zinc/07/05/98/950070598.db2.gz WKTKWQZUKJQXON-QWRGUYRKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575892468 950070618 /nfs/dbraw/zinc/07/06/18/950070618.db2.gz WKTKWQZUKJQXON-QWRGUYRKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574976339 950071149 /nfs/dbraw/zinc/07/11/49/950071149.db2.gz QOGCKEVBGBOMHJ-MNOVXSKESA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574976339 950071175 /nfs/dbraw/zinc/07/11/75/950071175.db2.gz QOGCKEVBGBOMHJ-MNOVXSKESA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCCc1ccccn1 ZINC001574976380 950073811 /nfs/dbraw/zinc/07/38/11/950073811.db2.gz RORXUWUOJSJTQM-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCCc1ccccn1 ZINC001574976380 950073831 /nfs/dbraw/zinc/07/38/31/950073831.db2.gz RORXUWUOJSJTQM-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575892601 950075142 /nfs/dbraw/zinc/07/51/42/950075142.db2.gz YHSCUVJYZAMXDJ-WCQYABFASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575892601 950075165 /nfs/dbraw/zinc/07/51/65/950075165.db2.gz YHSCUVJYZAMXDJ-WCQYABFASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CN(C)C(=O)Cn1cc(Cl)cn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574732533 950077411 /nfs/dbraw/zinc/07/74/11/950077411.db2.gz JLCWVXXBPAPKOQ-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CN(C)C(=O)Cn1cc(Cl)cn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574732533 950077431 /nfs/dbraw/zinc/07/74/31/950077431.db2.gz JLCWVXXBPAPKOQ-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CN(C)C(=O)Cc1ncccc1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574732907 950078594 /nfs/dbraw/zinc/07/85/94/950078594.db2.gz MHPAFZLBGFCHMT-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CN(C)C(=O)Cc1ncccc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574732907 950078615 /nfs/dbraw/zinc/07/86/15/950078615.db2.gz MHPAFZLBGFCHMT-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575892638 950078413 /nfs/dbraw/zinc/07/84/13/950078413.db2.gz YOMMCLWMUSJKDL-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575892638 950078427 /nfs/dbraw/zinc/07/84/27/950078427.db2.gz YOMMCLWMUSJKDL-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576183303 950079859 /nfs/dbraw/zinc/07/98/59/950079859.db2.gz PCUYYLOPRMCJRH-VXGBXAGGSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575892635 950080234 /nfs/dbraw/zinc/08/02/34/950080234.db2.gz YOMMCLWMUSJKDL-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575892635 950080255 /nfs/dbraw/zinc/08/02/55/950080255.db2.gz YOMMCLWMUSJKDL-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574732831 950081024 /nfs/dbraw/zinc/08/10/24/950081024.db2.gz LDSIDOFTDSSWRK-CABZTGNLSA-N -1 3 392.851 0.795 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574732831 950081047 /nfs/dbraw/zinc/08/10/47/950081047.db2.gz LDSIDOFTDSSWRK-CABZTGNLSA-N -1 3 392.851 0.795 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576183301 950081786 /nfs/dbraw/zinc/08/17/86/950081786.db2.gz PCUYYLOPRMCJRH-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCc1ccncc1 ZINC001574976594 950084976 /nfs/dbraw/zinc/08/49/76/950084976.db2.gz VXITUHDLACVWIQ-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCc1ccncc1 ZINC001574976594 950084995 /nfs/dbraw/zinc/08/49/95/950084995.db2.gz VXITUHDLACVWIQ-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001573836702 950086816 /nfs/dbraw/zinc/08/68/16/950086816.db2.gz NZNVYVJLNXZXHF-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001573836702 950086846 /nfs/dbraw/zinc/08/68/46/950086846.db2.gz NZNVYVJLNXZXHF-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2Cl)CCOC1 ZINC001575577935 950088255 /nfs/dbraw/zinc/08/82/55/950088255.db2.gz YQASEDMWHVJLQV-BONVTDFDSA-N -1 3 381.824 0.231 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2Cl)CCOC1 ZINC001575577935 950088275 /nfs/dbraw/zinc/08/82/75/950088275.db2.gz YQASEDMWHVJLQV-BONVTDFDSA-N -1 3 381.824 0.231 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575893658 950092936 /nfs/dbraw/zinc/09/29/36/950092936.db2.gz BKPVIGBINTUQQN-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575893658 950092959 /nfs/dbraw/zinc/09/29/59/950092959.db2.gz BKPVIGBINTUQQN-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncc(-c4nnn[n-]4)cc3F)CC2)CCC(=O)NC1 ZINC001575581993 950094633 /nfs/dbraw/zinc/09/46/33/950094633.db2.gz AYAYZNKYWSEJDH-MRXNPFEDSA-N -1 3 388.407 0.378 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncc(-c4nn[n-]n4)cc3F)CC2)CCC(=O)NC1 ZINC001575581993 950094652 /nfs/dbraw/zinc/09/46/52/950094652.db2.gz AYAYZNKYWSEJDH-MRXNPFEDSA-N -1 3 388.407 0.378 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151843 950095174 /nfs/dbraw/zinc/09/51/74/950095174.db2.gz ZFYQAVQIIJWABG-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151843 950095194 /nfs/dbraw/zinc/09/51/94/950095194.db2.gz ZFYQAVQIIJWABG-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1cccc(F)c1 ZINC001574976762 950095784 /nfs/dbraw/zinc/09/57/84/950095784.db2.gz ABRYWSOKFQWLPX-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1cccc(F)c1 ZINC001574976762 950095805 /nfs/dbraw/zinc/09/58/05/950095805.db2.gz ABRYWSOKFQWLPX-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574733126 950097350 /nfs/dbraw/zinc/09/73/50/950097350.db2.gz SNPOXPRIQFOTRU-MRVPVSSYSA-N -1 3 376.812 0.535 20 0 GCADHM C[C@@H](CC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574492690 950098776 /nfs/dbraw/zinc/09/87/76/950098776.db2.gz ONZRIZMWNDHSEE-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574492690 950098793 /nfs/dbraw/zinc/09/87/93/950098793.db2.gz ONZRIZMWNDHSEE-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574976783 950100782 /nfs/dbraw/zinc/10/07/82/950100782.db2.gz APOWCVDZDGPIBM-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574976783 950100797 /nfs/dbraw/zinc/10/07/97/950100797.db2.gz APOWCVDZDGPIBM-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574152435 950103059 /nfs/dbraw/zinc/10/30/59/950103059.db2.gz CDXLKLVEXQFZES-GXTWGEPZSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574152435 950103069 /nfs/dbraw/zinc/10/30/69/950103069.db2.gz CDXLKLVEXQFZES-GXTWGEPZSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574492796 950104114 /nfs/dbraw/zinc/10/41/14/950104114.db2.gz CWMPIWVGXKFHPU-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575894639 950104158 /nfs/dbraw/zinc/10/41/58/950104158.db2.gz FLBNEMUNOKIIMR-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575894639 950104176 /nfs/dbraw/zinc/10/41/76/950104176.db2.gz FLBNEMUNOKIIMR-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574492796 950104129 /nfs/dbraw/zinc/10/41/29/950104129.db2.gz CWMPIWVGXKFHPU-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574492753 950104576 /nfs/dbraw/zinc/10/45/76/950104576.db2.gz CJBILVMEXBQPSQ-NWDGAFQWSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574492753 950104588 /nfs/dbraw/zinc/10/45/88/950104588.db2.gz CJBILVMEXBQPSQ-NWDGAFQWSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575894673 950105673 /nfs/dbraw/zinc/10/56/73/950105673.db2.gz FSTPHHIBGCOHKU-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575894673 950105684 /nfs/dbraw/zinc/10/56/84/950105684.db2.gz FSTPHHIBGCOHKU-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574976849 950105867 /nfs/dbraw/zinc/10/58/67/950105867.db2.gz CAUOWKCERIDBDM-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574976849 950105877 /nfs/dbraw/zinc/10/58/77/950105877.db2.gz CAUOWKCERIDBDM-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1scnc1Cl ZINC001574976855 950106444 /nfs/dbraw/zinc/10/64/44/950106444.db2.gz CDHPNVOIGDDUHD-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1scnc1Cl ZINC001574976855 950106456 /nfs/dbraw/zinc/10/64/56/950106456.db2.gz CDHPNVOIGDDUHD-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574733309 950106922 /nfs/dbraw/zinc/10/69/22/950106922.db2.gz YFYFIMTZHJSMIN-NSHDSACASA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574733309 950106937 /nfs/dbraw/zinc/10/69/37/950106937.db2.gz YFYFIMTZHJSMIN-NSHDSACASA-N -1 3 385.436 0.331 20 0 GCADHM C[C@@H](CC(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574492938 950108612 /nfs/dbraw/zinc/10/86/12/950108612.db2.gz PPHVRKKWDRNRHV-PKSQDBQZSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@@H](CC(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574492938 950108631 /nfs/dbraw/zinc/10/86/31/950108631.db2.gz PPHVRKKWDRNRHV-PKSQDBQZSA-N -1 3 387.448 0.548 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573838408 950110493 /nfs/dbraw/zinc/11/04/93/950110493.db2.gz CLILRCFAIVNKTF-GFCCVEGCSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573838408 950110499 /nfs/dbraw/zinc/11/04/99/950110499.db2.gz CLILRCFAIVNKTF-GFCCVEGCSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574493028 950111275 /nfs/dbraw/zinc/11/12/75/950111275.db2.gz QSGXTKHSTSOMNL-QWHCGFSZSA-N -1 3 382.432 0.590 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574152614 950112094 /nfs/dbraw/zinc/11/20/94/950112094.db2.gz HKUVBPRFXSXEPD-TZMCWYRMSA-N -1 3 386.460 0.683 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574152614 950112107 /nfs/dbraw/zinc/11/21/07/950112107.db2.gz HKUVBPRFXSXEPD-TZMCWYRMSA-N -1 3 386.460 0.683 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001574977090 950112518 /nfs/dbraw/zinc/11/25/18/950112518.db2.gz GVFAXLBOMWQMHC-LKFCYVNXSA-N -1 3 386.391 0.268 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574152566 950113619 /nfs/dbraw/zinc/11/36/19/950113619.db2.gz GGMODWZKDMHOIQ-TZMCWYRMSA-N -1 3 387.448 0.228 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574152566 950113629 /nfs/dbraw/zinc/11/36/29/950113629.db2.gz GGMODWZKDMHOIQ-TZMCWYRMSA-N -1 3 387.448 0.228 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574977236 950113845 /nfs/dbraw/zinc/11/38/45/950113845.db2.gz HVAGIKOYZGSONT-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C)nc1C1CC1 ZINC001574977236 950113857 /nfs/dbraw/zinc/11/38/57/950113857.db2.gz HVAGIKOYZGSONT-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574733609 950118943 /nfs/dbraw/zinc/11/89/43/950118943.db2.gz DUELARDMHMAAFR-GZMMTYOYSA-N -1 3 378.824 0.453 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574733609 950118956 /nfs/dbraw/zinc/11/89/56/950118956.db2.gz DUELARDMHMAAFR-GZMMTYOYSA-N -1 3 378.824 0.453 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1noc2c1CCCC2 ZINC001574977308 950119152 /nfs/dbraw/zinc/11/91/52/950119152.db2.gz JTZMGNICUUZFTO-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1noc2c1CCCC2 ZINC001574977308 950119167 /nfs/dbraw/zinc/11/91/67/950119167.db2.gz JTZMGNICUUZFTO-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3cccc(F)c3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575582622 950120690 /nfs/dbraw/zinc/12/06/90/950120690.db2.gz LOIPGVHTCYKYLG-QGZVFWFLSA-N -1 3 387.419 0.983 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3cccc(F)c3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575582622 950120703 /nfs/dbraw/zinc/12/07/03/950120703.db2.gz LOIPGVHTCYKYLG-QGZVFWFLSA-N -1 3 387.419 0.983 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CCC2)CCC(=O)NC1 ZINC001575582565 950121051 /nfs/dbraw/zinc/12/10/51/950121051.db2.gz KCXSLZFXFKVKIK-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CCC2)CCC(=O)NC1 ZINC001575582565 950121060 /nfs/dbraw/zinc/12/10/60/950121060.db2.gz KCXSLZFXFKVKIK-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574977617 950125789 /nfs/dbraw/zinc/12/57/89/950125789.db2.gz MPGBJCPMNDNAGH-DDTOSNHZSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001574977617 950125804 /nfs/dbraw/zinc/12/58/04/950125804.db2.gz MPGBJCPMNDNAGH-DDTOSNHZSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001574493396 950126834 /nfs/dbraw/zinc/12/68/34/950126834.db2.gz GHJWNKBDAYXUCU-IONNQARKSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001574493396 950126848 /nfs/dbraw/zinc/12/68/48/950126848.db2.gz GHJWNKBDAYXUCU-IONNQARKSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001574493397 950127503 /nfs/dbraw/zinc/12/75/03/950127503.db2.gz GHJWNKBDAYXUCU-VXNVDRBHSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001574493397 950127515 /nfs/dbraw/zinc/12/75/15/950127515.db2.gz GHJWNKBDAYXUCU-VXNVDRBHSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575896310 950127804 /nfs/dbraw/zinc/12/78/04/950127804.db2.gz LZBGHOZWCMQBJW-ZYHUDNBSSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575896310 950127814 /nfs/dbraw/zinc/12/78/14/950127814.db2.gz LZBGHOZWCMQBJW-ZYHUDNBSSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(Nc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575582849 950128474 /nfs/dbraw/zinc/12/84/74/950128474.db2.gz HSXBERBCLUESGT-NBZRYXJFSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(Nc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575582849 950128486 /nfs/dbraw/zinc/12/84/86/950128486.db2.gz HSXBERBCLUESGT-NBZRYXJFSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573839342 950128506 /nfs/dbraw/zinc/12/85/06/950128506.db2.gz RMNOKDKTQLSRSP-GFCCVEGCSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573839342 950128523 /nfs/dbraw/zinc/12/85/23/950128523.db2.gz RMNOKDKTQLSRSP-GFCCVEGCSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C(=O)NCC1CC1 ZINC001574153140 950129775 /nfs/dbraw/zinc/12/97/75/950129775.db2.gz NWWIKXHRZHGZLU-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C(=O)NCC1CC1 ZINC001574153140 950129802 /nfs/dbraw/zinc/12/98/02/950129802.db2.gz NWWIKXHRZHGZLU-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896709 950130542 /nfs/dbraw/zinc/13/05/42/950130542.db2.gz MTAFMWIZZCAYER-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896709 950130550 /nfs/dbraw/zinc/13/05/50/950130550.db2.gz MTAFMWIZZCAYER-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@]1(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575582883 950132855 /nfs/dbraw/zinc/13/28/55/950132855.db2.gz MFWZKYKEYRCXNP-ZWKOTPCHSA-N -1 3 387.444 0.136 20 0 GCADHM C[C@]1(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575582883 950132868 /nfs/dbraw/zinc/13/28/68/950132868.db2.gz MFWZKYKEYRCXNP-ZWKOTPCHSA-N -1 3 387.444 0.136 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573839907 950133477 /nfs/dbraw/zinc/13/34/77/950133477.db2.gz YSMJLQVGGCZORB-GFCCVEGCSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573839907 950133490 /nfs/dbraw/zinc/13/34/90/950133490.db2.gz YSMJLQVGGCZORB-GFCCVEGCSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575582892 950134636 /nfs/dbraw/zinc/13/46/36/950134636.db2.gz ILRXWGMLZHARGE-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575582892 950134648 /nfs/dbraw/zinc/13/46/48/950134648.db2.gz ILRXWGMLZHARGE-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(N(C)C)ccn1 ZINC001574978332 950134715 /nfs/dbraw/zinc/13/47/15/950134715.db2.gz RNUAOZRNPCOCCI-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(N(C)C)ccn1 ZINC001574978332 950134725 /nfs/dbraw/zinc/13/47/25/950134725.db2.gz RNUAOZRNPCOCCI-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001574978078 950135018 /nfs/dbraw/zinc/13/50/18/950135018.db2.gz QJTVDDQSLYEODU-SECBINFHSA-N -1 3 384.400 0.144 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001574978078 950135025 /nfs/dbraw/zinc/13/50/25/950135025.db2.gz QJTVDDQSLYEODU-SECBINFHSA-N -1 3 384.400 0.144 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574153194 950136366 /nfs/dbraw/zinc/13/63/66/950136366.db2.gz OZJKJTVVMPQAPG-GFCCVEGCSA-N -1 3 385.432 0.957 20 0 GCADHM CC(C)(C)CC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(N)=O ZINC001573842378 950139647 /nfs/dbraw/zinc/13/96/47/950139647.db2.gz BTYVHXCPPDLDHY-LBPRGKRZSA-N -1 3 384.437 0.964 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCn1cncn1 ZINC001574153338 950140025 /nfs/dbraw/zinc/14/00/25/950140025.db2.gz SADFPMCCGDPQIL-AWEZNQCLSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCn1cncn1 ZINC001574153338 950140041 /nfs/dbraw/zinc/14/00/41/950140041.db2.gz SADFPMCCGDPQIL-AWEZNQCLSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184870 950141987 /nfs/dbraw/zinc/14/19/87/950141987.db2.gz XIYXZBZAFNSLHR-VXGBXAGGSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184870 950142000 /nfs/dbraw/zinc/14/20/00/950142000.db2.gz XIYXZBZAFNSLHR-VXGBXAGGSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574493824 950142616 /nfs/dbraw/zinc/14/26/16/950142616.db2.gz HYJDOHAEMYIRNH-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001574493824 950142622 /nfs/dbraw/zinc/14/26/22/950142622.db2.gz HYJDOHAEMYIRNH-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574153479 950144178 /nfs/dbraw/zinc/14/41/78/950144178.db2.gz SWCPFFXPCLZZTL-YPMHNXCESA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574153479 950144188 /nfs/dbraw/zinc/14/41/88/950144188.db2.gz SWCPFFXPCLZZTL-YPMHNXCESA-N -1 3 389.464 0.651 20 0 GCADHM CC1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCCC1 ZINC001575583587 950145220 /nfs/dbraw/zinc/14/52/20/950145220.db2.gz SRSIPPIYPCAWTQ-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCCC1 ZINC001575583587 950145241 /nfs/dbraw/zinc/14/52/41/950145241.db2.gz SRSIPPIYPCAWTQ-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573842573 950147226 /nfs/dbraw/zinc/14/72/26/950147226.db2.gz HQTMLOBBMLOOPF-JSGCOSHPSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573842573 950147237 /nfs/dbraw/zinc/14/72/37/950147237.db2.gz HQTMLOBBMLOOPF-JSGCOSHPSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573842505 950149260 /nfs/dbraw/zinc/14/92/60/950149260.db2.gz FNSWHLAKZYWJLE-UHFFFAOYSA-N -1 3 377.449 0.572 20 0 GCADHM CC(C)(C)CCC(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573842505 950149274 /nfs/dbraw/zinc/14/92/74/950149274.db2.gz FNSWHLAKZYWJLE-UHFFFAOYSA-N -1 3 377.449 0.572 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574979315 950150754 /nfs/dbraw/zinc/15/07/54/950150754.db2.gz XUPYTEMOOPHFBU-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574979315 950150766 /nfs/dbraw/zinc/15/07/66/950150766.db2.gz XUPYTEMOOPHFBU-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc2n1CCCC2 ZINC001574979335 950152185 /nfs/dbraw/zinc/15/21/85/950152185.db2.gz YHNYMCXEHJTJND-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc2n1CCCC2 ZINC001574979335 950152199 /nfs/dbraw/zinc/15/21/99/950152199.db2.gz YHNYMCXEHJTJND-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574734967 950154857 /nfs/dbraw/zinc/15/48/57/950154857.db2.gz WCNJJIDOPZHHAS-AOLWHUPESA-N -1 3 387.444 0.572 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574734967 950154866 /nfs/dbraw/zinc/15/48/66/950154866.db2.gz WCNJJIDOPZHHAS-AOLWHUPESA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)c1Cl ZINC001574979503 950155392 /nfs/dbraw/zinc/15/53/92/950155392.db2.gz ZXHAQDBQGYTYOB-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)c1Cl ZINC001574979503 950155408 /nfs/dbraw/zinc/15/54/08/950155408.db2.gz ZXHAQDBQGYTYOB-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM CC(C)(C)CCCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573842810 950156278 /nfs/dbraw/zinc/15/62/78/950156278.db2.gz LCIUUEAZXHZUGG-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CCCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573842810 950156291 /nfs/dbraw/zinc/15/62/91/950156291.db2.gz LCIUUEAZXHZUGG-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(=O)n1C ZINC001574153989 950156953 /nfs/dbraw/zinc/15/69/53/950156953.db2.gz ZAVJDTVOXNIKBU-LBPRGKRZSA-N -1 3 385.432 0.957 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(=O)n1C ZINC001574153989 950156965 /nfs/dbraw/zinc/15/69/65/950156965.db2.gz ZAVJDTVOXNIKBU-LBPRGKRZSA-N -1 3 385.432 0.957 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575898483 950156955 /nfs/dbraw/zinc/15/69/55/950156955.db2.gz SKYJKOXOLJQZBG-ZWNOBZJWSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575898483 950156967 /nfs/dbraw/zinc/15/69/67/950156967.db2.gz SKYJKOXOLJQZBG-ZWNOBZJWSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cncs1)C1CC1 ZINC001574982232 950157218 /nfs/dbraw/zinc/15/72/18/950157218.db2.gz ACCNNVSAMOTEPD-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cncs1)C1CC1 ZINC001574982232 950157232 /nfs/dbraw/zinc/15/72/32/950157232.db2.gz ACCNNVSAMOTEPD-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576185144 950159568 /nfs/dbraw/zinc/15/95/68/950159568.db2.gz ZRUBLCUCCSRKKD-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576185144 950159581 /nfs/dbraw/zinc/15/95/81/950159581.db2.gz ZRUBLCUCCSRKKD-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001574154024 950161104 /nfs/dbraw/zinc/16/11/04/950161104.db2.gz ZRDRCKCLUXCBKC-GXTWGEPZSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCNC1=O ZINC001574154024 950161113 /nfs/dbraw/zinc/16/11/13/950161113.db2.gz ZRDRCKCLUXCBKC-GXTWGEPZSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1nnnn1C1CC1 ZINC001574738027 950162928 /nfs/dbraw/zinc/16/29/28/950162928.db2.gz BESWEKPBIKCLOJ-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM CC1(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCC1 ZINC001575584235 950165884 /nfs/dbraw/zinc/16/58/84/950165884.db2.gz XDINKGCIXOKOIK-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCC1 ZINC001575584235 950165898 /nfs/dbraw/zinc/16/58/98/950165898.db2.gz XDINKGCIXOKOIK-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575899547 950172219 /nfs/dbraw/zinc/17/22/19/950172219.db2.gz XRPPOZRFJSTVGN-GWCFXTLKSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575899547 950172230 /nfs/dbraw/zinc/17/22/30/950172230.db2.gz XRPPOZRFJSTVGN-GWCFXTLKSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899715 950172397 /nfs/dbraw/zinc/17/23/97/950172397.db2.gz YGBYIPWZVNEABX-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899715 950172409 /nfs/dbraw/zinc/17/24/09/950172409.db2.gz YGBYIPWZVNEABX-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001573843367 950174040 /nfs/dbraw/zinc/17/40/40/950174040.db2.gz VYEFIQDIWFMTQK-GXTWGEPZSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001573843367 950174053 /nfs/dbraw/zinc/17/40/53/950174053.db2.gz VYEFIQDIWFMTQK-GXTWGEPZSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899712 950175085 /nfs/dbraw/zinc/17/50/85/950175085.db2.gz YGBYIPWZVNEABX-GHMZBOCLSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899712 950175105 /nfs/dbraw/zinc/17/51/05/950175105.db2.gz YGBYIPWZVNEABX-GHMZBOCLSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001574738943 950177864 /nfs/dbraw/zinc/17/78/64/950177864.db2.gz JJIKZQJRAKDZLE-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001574738943 950177882 /nfs/dbraw/zinc/17/78/82/950177882.db2.gz JJIKZQJRAKDZLE-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(N)=O ZINC001574494705 950180658 /nfs/dbraw/zinc/18/06/58/950180658.db2.gz NCXPVWGSIPFPGC-GHMZBOCLSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc(C2CC2)o1 ZINC001574739065 950182950 /nfs/dbraw/zinc/18/29/50/950182950.db2.gz KXMMWQVBKUWSEA-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc(C2CC2)o1 ZINC001574739065 950182966 /nfs/dbraw/zinc/18/29/66/950182966.db2.gz KXMMWQVBKUWSEA-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C2CC2)no1 ZINC001574739088 950183745 /nfs/dbraw/zinc/18/37/45/950183745.db2.gz LIOVGDTVYRZIPX-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C2CC2)no1 ZINC001574739088 950183765 /nfs/dbraw/zinc/18/37/65/950183765.db2.gz LIOVGDTVYRZIPX-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccon2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576191061 950185788 /nfs/dbraw/zinc/18/57/88/950185788.db2.gz DJIBFDAOKIALFC-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccon2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576191061 950185799 /nfs/dbraw/zinc/18/57/99/950185799.db2.gz DJIBFDAOKIALFC-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM CC(C)C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)Cn1cnnn1 ZINC001574155257 950186361 /nfs/dbraw/zinc/18/63/61/950186361.db2.gz KQJCOPOVAUDDIT-NSHDSACASA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)Cn1cnnn1 ZINC001574155257 950186385 /nfs/dbraw/zinc/18/63/85/950186385.db2.gz KQJCOPOVAUDDIT-NSHDSACASA-N -1 3 388.411 0.635 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c(Cl)cnn1C ZINC001574739225 950189350 /nfs/dbraw/zinc/18/93/50/950189350.db2.gz NGCNHXZLAJOFOS-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c(Cl)cnn1C ZINC001574739225 950189364 /nfs/dbraw/zinc/18/93/64/950189364.db2.gz NGCNHXZLAJOFOS-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001574494918 950190959 /nfs/dbraw/zinc/19/09/59/950190959.db2.gz QAQRAVPWWHWAMB-WFASDCNBSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001574494918 950190975 /nfs/dbraw/zinc/19/09/75/950190975.db2.gz QAQRAVPWWHWAMB-WFASDCNBSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@]1(C)CCCOC1 ZINC001574983034 950198247 /nfs/dbraw/zinc/19/82/47/950198247.db2.gz JAUJRAQSOYDSFW-APPDUMDISA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@]1(C)CCCOC1 ZINC001574983034 950198260 /nfs/dbraw/zinc/19/82/60/950198260.db2.gz JAUJRAQSOYDSFW-APPDUMDISA-N -1 3 375.433 0.494 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573844524 950199060 /nfs/dbraw/zinc/19/90/60/950199060.db2.gz AUBGZJHPYMDYKU-WCFLWFBJSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573844524 950199077 /nfs/dbraw/zinc/19/90/77/950199077.db2.gz AUBGZJHPYMDYKU-WCFLWFBJSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)C1CCC(O)CC1 ZINC001574983157 950204244 /nfs/dbraw/zinc/20/42/44/950204244.db2.gz LGOVHWRVGNXQDE-XSRFYTQQSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)C1CCC(O)CC1 ZINC001574983157 950204254 /nfs/dbraw/zinc/20/42/54/950204254.db2.gz LGOVHWRVGNXQDE-XSRFYTQQSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574739695 950204659 /nfs/dbraw/zinc/20/46/59/950204659.db2.gz VZTSIXWLHVMTSM-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574739695 950204669 /nfs/dbraw/zinc/20/46/69/950204669.db2.gz VZTSIXWLHVMTSM-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575585839 950205988 /nfs/dbraw/zinc/20/59/88/950205988.db2.gz DNXJWEAQMDKTKK-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575585839 950206002 /nfs/dbraw/zinc/20/60/02/950206002.db2.gz DNXJWEAQMDKTKK-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001574983190 950206029 /nfs/dbraw/zinc/20/60/29/950206029.db2.gz MCPGTBMHRUFFGO-SFHVURJKSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001574983190 950206049 /nfs/dbraw/zinc/20/60/49/950206049.db2.gz MCPGTBMHRUFFGO-SFHVURJKSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574983292 950208345 /nfs/dbraw/zinc/20/83/45/950208345.db2.gz MFMNQXDBZGCUNR-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983292 950208361 /nfs/dbraw/zinc/20/83/61/950208361.db2.gz MFMNQXDBZGCUNR-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)c1ccncc1 ZINC001574496061 950208308 /nfs/dbraw/zinc/20/83/08/950208308.db2.gz UYTHZHZHUGRNDQ-WFASDCNBSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)c1ccncc1 ZINC001574496061 950208329 /nfs/dbraw/zinc/20/83/29/950208329.db2.gz UYTHZHZHUGRNDQ-WFASDCNBSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574496078 950210340 /nfs/dbraw/zinc/21/03/40/950210340.db2.gz VDJOCLQVFWVGBP-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574496078 950210354 /nfs/dbraw/zinc/21/03/54/950210354.db2.gz VDJOCLQVFWVGBP-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN2Cc2ccc(F)c(-c3nnn[n-]3)c2)CCNC1=O ZINC001575586401 950210473 /nfs/dbraw/zinc/21/04/73/950210473.db2.gz HDVFSTPVKYMABA-XIKOKIGWSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN2Cc2ccc(F)c(-c3nn[n-]n3)c2)CCNC1=O ZINC001575586401 950210489 /nfs/dbraw/zinc/21/04/89/950210489.db2.gz HDVFSTPVKYMABA-XIKOKIGWSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576191815 950212604 /nfs/dbraw/zinc/21/26/04/950212604.db2.gz INNCDWFOWIONGD-GXSJLCMTSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576191815 950212620 /nfs/dbraw/zinc/21/26/20/950212620.db2.gz INNCDWFOWIONGD-GXSJLCMTSA-N -1 3 385.388 0.106 20 0 GCADHM CC(C)C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)Cn1ncnn1 ZINC001574155798 950212848 /nfs/dbraw/zinc/21/28/48/950212848.db2.gz RQTZFXKFVBJCNS-NSHDSACASA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)Cn1ncnn1 ZINC001574155798 950212864 /nfs/dbraw/zinc/21/28/64/950212864.db2.gz RQTZFXKFVBJCNS-NSHDSACASA-N -1 3 388.411 0.635 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574739964 950213772 /nfs/dbraw/zinc/21/37/72/950213772.db2.gz AKQADFPVKOUVFP-AAEUAGOBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574739964 950213788 /nfs/dbraw/zinc/21/37/88/950213788.db2.gz AKQADFPVKOUVFP-AAEUAGOBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ccncn1)C1CC1 ZINC001574983354 950214987 /nfs/dbraw/zinc/21/49/87/950214987.db2.gz NJVHPIYOFFWZSX-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ccncn1)C1CC1 ZINC001574983354 950215007 /nfs/dbraw/zinc/21/50/07/950215007.db2.gz NJVHPIYOFFWZSX-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574739965 950216153 /nfs/dbraw/zinc/21/61/53/950216153.db2.gz AKQADFPVKOUVFP-DGCLKSJQSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574739965 950216175 /nfs/dbraw/zinc/21/61/75/950216175.db2.gz AKQADFPVKOUVFP-DGCLKSJQSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cnn(C)c1 ZINC001574739997 950218240 /nfs/dbraw/zinc/21/82/40/950218240.db2.gz ATCCIIBSOSYEOU-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cnn(C)c1 ZINC001574739997 950218261 /nfs/dbraw/zinc/21/82/61/950218261.db2.gz ATCCIIBSOSYEOU-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CC(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccncc1 ZINC001574496616 950219801 /nfs/dbraw/zinc/21/98/01/950219801.db2.gz XZLHIMBOODAHDR-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](CC(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccncc1 ZINC001574496616 950219816 /nfs/dbraw/zinc/21/98/16/950219816.db2.gz XZLHIMBOODAHDR-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(F)(F)C1 ZINC001575586469 950220901 /nfs/dbraw/zinc/22/09/01/950220901.db2.gz IVZYHRXGLBNAMS-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(F)(F)C1 ZINC001575586469 950220916 /nfs/dbraw/zinc/22/09/16/950220916.db2.gz IVZYHRXGLBNAMS-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575901243 950222789 /nfs/dbraw/zinc/22/27/89/950222789.db2.gz MPRTUWQTQBUGAQ-CABZTGNLSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901243 950222808 /nfs/dbraw/zinc/22/28/08/950222808.db2.gz MPRTUWQTQBUGAQ-CABZTGNLSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574983467 950223757 /nfs/dbraw/zinc/22/37/57/950223757.db2.gz OKNMKRSGPJIKOP-SECBINFHSA-N -1 3 386.391 0.688 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574983467 950223777 /nfs/dbraw/zinc/22/37/77/950223777.db2.gz OKNMKRSGPJIKOP-SECBINFHSA-N -1 3 386.391 0.688 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1n[nH]c2c1CCC2 ZINC001574983605 950226239 /nfs/dbraw/zinc/22/62/39/950226239.db2.gz QFRNLFWRVIODRW-SECBINFHSA-N -1 3 383.416 0.203 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCCn1ccnc1 ZINC001574740207 950226794 /nfs/dbraw/zinc/22/67/94/950226794.db2.gz BXJZUJSOZRKROD-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001576192191 950233231 /nfs/dbraw/zinc/23/32/31/950233231.db2.gz MJRKYZQUQMQUKN-QWRGUYRKSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575587265 950233514 /nfs/dbraw/zinc/23/35/14/950233514.db2.gz NAIFWSWDOJCKEM-KZULUSFZSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575587265 950233533 /nfs/dbraw/zinc/23/35/33/950233533.db2.gz NAIFWSWDOJCKEM-KZULUSFZSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2F)CCOC1 ZINC001575587309 950236050 /nfs/dbraw/zinc/23/60/50/950236050.db2.gz NKVAEAZRNSQNKA-PXAZEXFGSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001575587309 950236065 /nfs/dbraw/zinc/23/60/65/950236065.db2.gz NKVAEAZRNSQNKA-PXAZEXFGSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H](C)n1cccn1 ZINC001574741213 950237746 /nfs/dbraw/zinc/23/77/46/950237746.db2.gz IHVBTWMRVZYIHM-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H](C)n1cccn1 ZINC001574741213 950237758 /nfs/dbraw/zinc/23/77/58/950237758.db2.gz IHVBTWMRVZYIHM-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573845754 950239340 /nfs/dbraw/zinc/23/93/40/950239340.db2.gz KPXATWZYQDZQMR-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573845754 950239352 /nfs/dbraw/zinc/23/93/52/950239352.db2.gz KPXATWZYQDZQMR-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cncnc1 ZINC001574741449 950242249 /nfs/dbraw/zinc/24/22/49/950242249.db2.gz BIZCWOGUURLIOZ-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cncnc1 ZINC001574741449 950242281 /nfs/dbraw/zinc/24/22/81/950242281.db2.gz BIZCWOGUURLIOZ-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ccsn1)C1CC1 ZINC001574983791 950242909 /nfs/dbraw/zinc/24/29/09/950242909.db2.gz SLODJZZJNIFFJU-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ccsn1)C1CC1 ZINC001574983791 950242925 /nfs/dbraw/zinc/24/29/25/950242925.db2.gz SLODJZZJNIFFJU-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1ccsc1 ZINC001574741382 950245886 /nfs/dbraw/zinc/24/58/86/950245886.db2.gz AQYZYLOAHCSUHC-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1ccsc1 ZINC001574741382 950245900 /nfs/dbraw/zinc/24/59/00/950245900.db2.gz AQYZYLOAHCSUHC-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cncn1C ZINC001574741385 950246160 /nfs/dbraw/zinc/24/61/60/950246160.db2.gz ATHHQSGAYIKCSG-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cncn1C ZINC001574741385 950246183 /nfs/dbraw/zinc/24/61/83/950246183.db2.gz ATHHQSGAYIKCSG-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCCO2)CCC1 ZINC001575588003 950247110 /nfs/dbraw/zinc/24/71/10/950247110.db2.gz PBZQCWIYQBIDAX-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCCO2)CCC1 ZINC001575588003 950247122 /nfs/dbraw/zinc/24/71/22/950247122.db2.gz PBZQCWIYQBIDAX-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@@H]1CCOC1 ZINC001574741634 950249781 /nfs/dbraw/zinc/24/97/81/950249781.db2.gz KDZXHXSQNJDHKL-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@@H]1CCOC1 ZINC001574741634 950249798 /nfs/dbraw/zinc/24/97/98/950249798.db2.gz KDZXHXSQNJDHKL-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@H]1CCOC1 ZINC001574741632 950250300 /nfs/dbraw/zinc/25/03/00/950250300.db2.gz KDZXHXSQNJDHKL-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@H]1CCOC1 ZINC001574741632 950250320 /nfs/dbraw/zinc/25/03/20/950250320.db2.gz KDZXHXSQNJDHKL-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c[nH]nc1C1CC1 ZINC001574741828 950257205 /nfs/dbraw/zinc/25/72/05/950257205.db2.gz DRACTVPVKDODSK-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c[nH]nc1C1CC1 ZINC001574741828 950257229 /nfs/dbraw/zinc/25/72/29/950257229.db2.gz DRACTVPVKDODSK-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)CCC(=O)NC1 ZINC001575589165 950257960 /nfs/dbraw/zinc/25/79/60/950257960.db2.gz VCOHEPZQMAFSND-DIFFPNOSSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)CCC(=O)NC1 ZINC001575589165 950257983 /nfs/dbraw/zinc/25/79/83/950257983.db2.gz VCOHEPZQMAFSND-DIFFPNOSSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H](C)n1cccn1 ZINC001574741822 950260657 /nfs/dbraw/zinc/26/06/57/950260657.db2.gz DNWDJQQNNZUJFZ-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H](C)n1cccn1 ZINC001574741822 950260676 /nfs/dbraw/zinc/26/06/76/950260676.db2.gz DNWDJQQNNZUJFZ-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573847054 950261059 /nfs/dbraw/zinc/26/10/59/950261059.db2.gz YVAITAYEGAWPHF-CYZMBNFOSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573847054 950261081 /nfs/dbraw/zinc/26/10/81/950261081.db2.gz YVAITAYEGAWPHF-CYZMBNFOSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ccccn1)C1CC1 ZINC001574984116 950261495 /nfs/dbraw/zinc/26/14/95/950261495.db2.gz XCNSSWPVEXLGCJ-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ccccn1)C1CC1 ZINC001574984116 950261514 /nfs/dbraw/zinc/26/15/14/950261514.db2.gz XCNSSWPVEXLGCJ-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cncn1C ZINC001574157922 950261721 /nfs/dbraw/zinc/26/17/21/950261721.db2.gz LBQJZJLJTNMVET-LBPRGKRZSA-N -1 3 384.448 0.576 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC(F)(F)C1 ZINC001575589196 950262245 /nfs/dbraw/zinc/26/22/45/950262245.db2.gz VTXQKYJRZGTGRA-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC(F)(F)C1 ZINC001575589196 950262268 /nfs/dbraw/zinc/26/22/68/950262268.db2.gz VTXQKYJRZGTGRA-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C[C@@H](O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573849874 950262896 /nfs/dbraw/zinc/26/28/96/950262896.db2.gz DTRZFJUHLDMIKH-CABCVRRESA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C[C@@H](O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573849874 950262916 /nfs/dbraw/zinc/26/29/16/950262916.db2.gz DTRZFJUHLDMIKH-CABCVRRESA-N -1 3 375.429 0.943 20 0 GCADHM C[C@@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574498145 950264818 /nfs/dbraw/zinc/26/48/18/950264818.db2.gz KKWIODHGAWHGIQ-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574498145 950264837 /nfs/dbraw/zinc/26/48/37/950264837.db2.gz KKWIODHGAWHGIQ-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCCO1 ZINC001574742056 950265284 /nfs/dbraw/zinc/26/52/84/950265284.db2.gz HAJASGBLRCGPJD-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCCO1 ZINC001574742056 950265306 /nfs/dbraw/zinc/26/53/06/950265306.db2.gz HAJASGBLRCGPJD-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574742182 950271654 /nfs/dbraw/zinc/27/16/54/950271654.db2.gz HRDCUMQBHMGOOL-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574742182 950271668 /nfs/dbraw/zinc/27/16/68/950271668.db2.gz HRDCUMQBHMGOOL-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCn1ccnc1 ZINC001574742201 950275809 /nfs/dbraw/zinc/27/58/09/950275809.db2.gz IKBORHUASZTTDN-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCn1ccnc1 ZINC001574742201 950275829 /nfs/dbraw/zinc/27/58/29/950275829.db2.gz IKBORHUASZTTDN-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1ccnc1 ZINC001574498431 950276740 /nfs/dbraw/zinc/27/67/40/950276740.db2.gz NGHNWANTBCTNNX-RYUDHWBXSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1ccnc1 ZINC001574498431 950276765 /nfs/dbraw/zinc/27/67/65/950276765.db2.gz NGHNWANTBCTNNX-RYUDHWBXSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cccn1 ZINC001574498452 950276885 /nfs/dbraw/zinc/27/68/85/950276885.db2.gz NPNLNJLBTUAFIQ-NWDGAFQWSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cccn1 ZINC001574498452 950276902 /nfs/dbraw/zinc/27/69/02/950276902.db2.gz NPNLNJLBTUAFIQ-NWDGAFQWSA-N -1 3 388.407 0.743 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001573850878 950277727 /nfs/dbraw/zinc/27/77/27/950277727.db2.gz NNPZYLQRGBMJBH-UHFFFAOYSA-N -1 3 381.462 0.565 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001573850878 950277742 /nfs/dbraw/zinc/27/77/42/950277742.db2.gz NNPZYLQRGBMJBH-UHFFFAOYSA-N -1 3 381.462 0.565 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)Cc1ncccc1F ZINC001574987207 950279257 /nfs/dbraw/zinc/27/92/57/950279257.db2.gz AKWLYGGZEJRIGA-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)Cc1ncccc1F ZINC001574987207 950279274 /nfs/dbraw/zinc/27/92/74/950279274.db2.gz AKWLYGGZEJRIGA-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576193108 950280260 /nfs/dbraw/zinc/28/02/60/950280260.db2.gz RZBSXUAGJSLTCR-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576193108 950280276 /nfs/dbraw/zinc/28/02/76/950280276.db2.gz RZBSXUAGJSLTCR-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576193107 950280644 /nfs/dbraw/zinc/28/06/44/950280644.db2.gz RZBSXUAGJSLTCR-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576193107 950280669 /nfs/dbraw/zinc/28/06/69/950280669.db2.gz RZBSXUAGJSLTCR-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1cncn1 ZINC001574158518 950284057 /nfs/dbraw/zinc/28/40/57/950284057.db2.gz BZPHXGLEEQKOKN-LBPRGKRZSA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1cncn1 ZINC001574158518 950284077 /nfs/dbraw/zinc/28/40/77/950284077.db2.gz BZPHXGLEEQKOKN-LBPRGKRZSA-N -1 3 388.411 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001574987380 950284295 /nfs/dbraw/zinc/28/42/95/950284295.db2.gz BSZSTBFQOSKPLM-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001574987380 950284311 /nfs/dbraw/zinc/28/43/11/950284311.db2.gz BSZSTBFQOSKPLM-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)c1cnon1 ZINC001576193248 950285916 /nfs/dbraw/zinc/28/59/16/950285916.db2.gz SYOURKFMXVMMSY-NXEZZACHSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)c1cnon1 ZINC001576193248 950285934 /nfs/dbraw/zinc/28/59/34/950285934.db2.gz SYOURKFMXVMMSY-NXEZZACHSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COc1ccsc1 ZINC001574987256 950287116 /nfs/dbraw/zinc/28/71/16/950287116.db2.gz BFCKEAGCQFGWIN-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COc1ccsc1 ZINC001574987256 950287134 /nfs/dbraw/zinc/28/71/34/950287134.db2.gz BFCKEAGCQFGWIN-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574498919 950288236 /nfs/dbraw/zinc/28/82/36/950288236.db2.gz RMPBMPCDRKEYRH-RISCZKNCSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574498919 950288258 /nfs/dbraw/zinc/28/82/58/950288258.db2.gz RMPBMPCDRKEYRH-RISCZKNCSA-N -1 3 385.432 0.078 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573851171 950288534 /nfs/dbraw/zinc/28/85/34/950288534.db2.gz TWTWMJRVCXOUPO-LBPRGKRZSA-N -1 3 386.412 0.678 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573851171 950288549 /nfs/dbraw/zinc/28/85/49/950288549.db2.gz TWTWMJRVCXOUPO-LBPRGKRZSA-N -1 3 386.412 0.678 20 0 GCADHM C[C@]1(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nc2)CCCS1(=O)=O ZINC001575592510 950289862 /nfs/dbraw/zinc/28/98/62/950289862.db2.gz BIMQGTSXUMFAKQ-WOMSROEHSA-N -1 3 391.457 0.313 20 0 GCADHM C[C@]1(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nc2)CCCS1(=O)=O ZINC001575592510 950289881 /nfs/dbraw/zinc/28/98/81/950289881.db2.gz BIMQGTSXUMFAKQ-WOMSROEHSA-N -1 3 391.457 0.313 20 0 GCADHM CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CO1 ZINC001573851371 950291247 /nfs/dbraw/zinc/29/12/47/950291247.db2.gz WIBGWIQKOIXJKM-VHSXEESVSA-N -1 3 377.405 0.813 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2cnccc2-c2nnn[n-]2)CC1 ZINC001573851457 950292339 /nfs/dbraw/zinc/29/23/39/950292339.db2.gz YMEILJNBXYHSEL-UHFFFAOYSA-N -1 3 379.446 0.242 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2cnccc2-c2nn[n-]n2)CC1 ZINC001573851457 950292354 /nfs/dbraw/zinc/29/23/54/950292354.db2.gz YMEILJNBXYHSEL-UHFFFAOYSA-N -1 3 379.446 0.242 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1ccccc1 ZINC001574742551 950293602 /nfs/dbraw/zinc/29/36/02/950293602.db2.gz NLNPAAVNPVCLOP-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1ccccc1 ZINC001574742551 950293621 /nfs/dbraw/zinc/29/36/21/950293621.db2.gz NLNPAAVNPVCLOP-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2ncc(-c3nnn[n-]3)cc2F)CCOC1 ZINC001575592599 950294254 /nfs/dbraw/zinc/29/42/54/950294254.db2.gz CEEOUTUNVMFCNK-SJKOYZFVSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2ncc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001575592599 950294275 /nfs/dbraw/zinc/29/42/75/950294275.db2.gz CEEOUTUNVMFCNK-SJKOYZFVSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1ccccc1 ZINC001574742550 950294647 /nfs/dbraw/zinc/29/46/47/950294647.db2.gz NLNPAAVNPVCLOP-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1ccccc1 ZINC001574742550 950294660 /nfs/dbraw/zinc/29/46/60/950294660.db2.gz NLNPAAVNPVCLOP-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2nnccc2-c2nnn[n-]2)C1 ZINC001573852065 950298969 /nfs/dbraw/zinc/29/89/69/950298969.db2.gz CBNOBNMKTUFXCL-GFCCVEGCSA-N -1 3 390.448 0.855 20 0 GCADHM CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(c2nnccc2-c2nn[n-]n2)C1 ZINC001573852065 950298984 /nfs/dbraw/zinc/29/89/84/950298984.db2.gz CBNOBNMKTUFXCL-GFCCVEGCSA-N -1 3 390.448 0.855 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CCCCO1 ZINC001574742666 950299887 /nfs/dbraw/zinc/29/98/87/950299887.db2.gz NWQUQJXEMAXIBB-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CCCCO1 ZINC001574742666 950299901 /nfs/dbraw/zinc/29/99/01/950299901.db2.gz NWQUQJXEMAXIBB-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1ccnn1C ZINC001574742652 950300069 /nfs/dbraw/zinc/30/00/69/950300069.db2.gz NSTXEIVFCZJCBR-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1ccnn1C ZINC001574742652 950300087 /nfs/dbraw/zinc/30/00/87/950300087.db2.gz NSTXEIVFCZJCBR-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1ccncn1 ZINC001574987817 950300642 /nfs/dbraw/zinc/30/06/42/950300642.db2.gz HSCMDCZKGHWVHR-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1ccncn1 ZINC001574987817 950300662 /nfs/dbraw/zinc/30/06/62/950300662.db2.gz 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ZINC001573852755 950313553 /nfs/dbraw/zinc/31/35/53/950313553.db2.gz IZWYUXMXRVCYJI-UHFFFAOYSA-N -1 3 388.428 0.855 20 0 GCADHM C[C@H](CC(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574501081 950318773 /nfs/dbraw/zinc/31/87/73/950318773.db2.gz AXSLBAPTTZEZKF-LLVKDONJSA-N -1 3 387.448 0.407 20 0 GCADHM C[C@H](CC(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574501081 950318796 /nfs/dbraw/zinc/31/87/96/950318796.db2.gz AXSLBAPTTZEZKF-LLVKDONJSA-N -1 3 387.448 0.407 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574743160 950319795 /nfs/dbraw/zinc/31/97/95/950319795.db2.gz SODVKHZCYIPFKD-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574743160 950319814 /nfs/dbraw/zinc/31/98/14/950319814.db2.gz SODVKHZCYIPFKD-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574743161 950320124 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QBWOYIWJTZEVKT-UHFFFAOYSA-N -1 3 385.476 0.839 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](CO)C1 ZINC001573853546 950324929 /nfs/dbraw/zinc/32/49/29/950324929.db2.gz RLRKGMHJFKGAPO-NSHDSACASA-N -1 3 377.405 0.249 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](CO)C1 ZINC001573853546 950324951 /nfs/dbraw/zinc/32/49/51/950324951.db2.gz RLRKGMHJFKGAPO-NSHDSACASA-N -1 3 377.405 0.249 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)c1cnco1 ZINC001576194056 950327541 /nfs/dbraw/zinc/32/75/41/950327541.db2.gz YCSMYVQIKJTUFA-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)c1cnco1 ZINC001576194056 950327564 /nfs/dbraw/zinc/32/75/64/950327564.db2.gz YCSMYVQIKJTUFA-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574501319 950329842 /nfs/dbraw/zinc/32/98/42/950329842.db2.gz CYCSRXQAUPZNMK-PWSUYJOCSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574501319 950329859 /nfs/dbraw/zinc/32/98/59/950329859.db2.gz CYCSRXQAUPZNMK-PWSUYJOCSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574501646 950335680 /nfs/dbraw/zinc/33/56/80/950335680.db2.gz FSHSCTXBAPXGDV-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574501646 950335699 /nfs/dbraw/zinc/33/56/99/950335699.db2.gz FSHSCTXBAPXGDV-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574744070 950342920 /nfs/dbraw/zinc/34/29/20/950342920.db2.gz WQUSFHULJPQRMA-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574744070 950342936 /nfs/dbraw/zinc/34/29/36/950342936.db2.gz WQUSFHULJPQRMA-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1ncccn1 ZINC001574988680 950345202 /nfs/dbraw/zinc/34/52/02/950345202.db2.gz UHOOIPKMMGGLOZ-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1ncccn1 ZINC001574988680 950345218 /nfs/dbraw/zinc/34/52/18/950345218.db2.gz UHOOIPKMMGGLOZ-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576194546 950345621 /nfs/dbraw/zinc/34/56/21/950345621.db2.gz ZYFBZNZOLWFVQK-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576194546 950345639 /nfs/dbraw/zinc/34/56/39/950345639.db2.gz ZYFBZNZOLWFVQK-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCOCC1 ZINC001574744148 950346107 /nfs/dbraw/zinc/34/61/07/950346107.db2.gz XHNUAHZBDSCADJ-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCOCC1 ZINC001574744148 950346127 /nfs/dbraw/zinc/34/61/27/950346127.db2.gz XHNUAHZBDSCADJ-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574160647 950349777 /nfs/dbraw/zinc/34/97/77/950349777.db2.gz PRJQTAYZCHHKGC-OLZOCXBDSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574160647 950349797 /nfs/dbraw/zinc/34/97/97/950349797.db2.gz PRJQTAYZCHHKGC-OLZOCXBDSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574502038 950350623 /nfs/dbraw/zinc/35/06/23/950350623.db2.gz IDPFVMSAPIDBOZ-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574502038 950350641 /nfs/dbraw/zinc/35/06/41/950350641.db2.gz IDPFVMSAPIDBOZ-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)CCO2)CCOC1 ZINC001575595303 950350798 /nfs/dbraw/zinc/35/07/98/950350798.db2.gz OFMZQWNWQXASBE-KPZWWZAWSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)CCO2)CCOC1 ZINC001575595303 950350813 /nfs/dbraw/zinc/35/08/13/950350813.db2.gz OFMZQWNWQXASBE-KPZWWZAWSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC1CCOCC1 ZINC001574744434 950353230 /nfs/dbraw/zinc/35/32/30/950353230.db2.gz YJPHWTOWWRKCKH-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC1CCOCC1 ZINC001574744434 950353252 /nfs/dbraw/zinc/35/32/52/950353252.db2.gz YJPHWTOWWRKCKH-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC001573854780 950354303 /nfs/dbraw/zinc/35/43/03/950354303.db2.gz GEHMAWVOHHTHIY-OCCSQVGLSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC001573854780 950354322 /nfs/dbraw/zinc/35/43/22/950354322.db2.gz GEHMAWVOHHTHIY-OCCSQVGLSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC1CCOCC1 ZINC001574744433 950354166 /nfs/dbraw/zinc/35/41/66/950354166.db2.gz YJPHWTOWWRKCKH-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC1CCOCC1 ZINC001574744433 950354182 /nfs/dbraw/zinc/35/41/82/950354182.db2.gz YJPHWTOWWRKCKH-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574502036 950355178 /nfs/dbraw/zinc/35/51/78/950355178.db2.gz IDPFVMSAPIDBOZ-NWDGAFQWSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574502036 950355198 /nfs/dbraw/zinc/35/51/98/950355198.db2.gz IDPFVMSAPIDBOZ-NWDGAFQWSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCOCC1 ZINC001575908207 950355530 /nfs/dbraw/zinc/35/55/30/950355530.db2.gz AYRJDJWOBQWRDX-UKRRQHHQSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1cncn1 ZINC001574161460 950360246 /nfs/dbraw/zinc/36/02/46/950360246.db2.gz URJAQVLDULCIFE-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1cncn1 ZINC001574161460 950360268 /nfs/dbraw/zinc/36/02/68/950360268.db2.gz URJAQVLDULCIFE-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)CCCOC1 ZINC001575595664 950362768 /nfs/dbraw/zinc/36/27/68/950362768.db2.gz PTRMWPXOJPIBRL-KBXCAEBGSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)CCCOC1 ZINC001575595664 950362790 /nfs/dbraw/zinc/36/27/90/950362790.db2.gz PTRMWPXOJPIBRL-KBXCAEBGSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H](CC(=O)NCC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574502217 950366187 /nfs/dbraw/zinc/36/61/87/950366187.db2.gz KOJVGXLIJUBGJR-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NCC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574502217 950366201 /nfs/dbraw/zinc/36/62/01/950366201.db2.gz KOJVGXLIJUBGJR-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1=O ZINC001573855347 950369281 /nfs/dbraw/zinc/36/92/81/950369281.db2.gz REMFIEDFZQLTIK-OCCSQVGLSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1=O ZINC001573855347 950369309 /nfs/dbraw/zinc/36/93/09/950369309.db2.gz REMFIEDFZQLTIK-OCCSQVGLSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574162078 950373354 /nfs/dbraw/zinc/37/33/54/950373354.db2.gz YVLVWWGJEKLUAQ-CHWSQXEVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574162078 950373371 /nfs/dbraw/zinc/37/33/71/950373371.db2.gz YVLVWWGJEKLUAQ-CHWSQXEVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574162076 950374302 /nfs/dbraw/zinc/37/43/02/950374302.db2.gz YUMOMPSIZSXNRT-QWHCGFSZSA-N -1 3 386.460 0.683 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574162076 950374322 /nfs/dbraw/zinc/37/43/22/950374322.db2.gz YUMOMPSIZSXNRT-QWHCGFSZSA-N -1 3 386.460 0.683 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1ccc(F)cc1 ZINC001574990598 950374962 /nfs/dbraw/zinc/37/49/62/950374962.db2.gz DGOCPKICPWQOMP-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1ccc(F)cc1 ZINC001574990598 950374980 /nfs/dbraw/zinc/37/49/80/950374980.db2.gz DGOCPKICPWQOMP-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575908703 950375813 /nfs/dbraw/zinc/37/58/13/950375813.db2.gz DHFZPCJLWMLSJX-SMDDNHRTSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cn(C)nn1 ZINC001575908703 950375829 /nfs/dbraw/zinc/37/58/29/950375829.db2.gz DHFZPCJLWMLSJX-SMDDNHRTSA-N -1 3 382.432 0.424 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574162148 950380992 /nfs/dbraw/zinc/38/09/92/950380992.db2.gz ZWKJMMWYIZYJJP-PWSUYJOCSA-N -1 3 391.411 0.025 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574162148 950381013 /nfs/dbraw/zinc/38/10/13/950381013.db2.gz ZWKJMMWYIZYJJP-PWSUYJOCSA-N -1 3 391.411 0.025 20 0 GCADHM CC(C)CC1(C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001574162429 950382315 /nfs/dbraw/zinc/38/23/15/950382315.db2.gz AKRGROVUIQODON-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)CC1(C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001574162429 950382334 /nfs/dbraw/zinc/38/23/34/950382334.db2.gz AKRGROVUIQODON-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573856494 950384707 /nfs/dbraw/zinc/38/47/07/950384707.db2.gz APWKSLACOJESQU-KRWDZBQOSA-N -1 3 391.432 0.951 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573856494 950384731 /nfs/dbraw/zinc/38/47/31/950384731.db2.gz APWKSLACOJESQU-KRWDZBQOSA-N -1 3 391.432 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574991150 950387879 /nfs/dbraw/zinc/38/78/79/950387879.db2.gz HVNGJRPOOLHPFL-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574991150 950387900 /nfs/dbraw/zinc/38/79/00/950387900.db2.gz HVNGJRPOOLHPFL-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574502697 950388264 /nfs/dbraw/zinc/38/82/64/950388264.db2.gz QKAZAODNNYAQTD-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574502697 950388284 /nfs/dbraw/zinc/38/82/84/950388284.db2.gz QKAZAODNNYAQTD-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H]1[C@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575909226 950391092 /nfs/dbraw/zinc/39/10/92/950391092.db2.gz GEYLDSSJUQCXKT-MWLCHTKSSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@@H]1[C@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575909226 950391119 /nfs/dbraw/zinc/39/11/19/950391119.db2.gz GEYLDSSJUQCXKT-MWLCHTKSSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574502833 950391673 /nfs/dbraw/zinc/39/16/73/950391673.db2.gz QWSZKOWDZSQATB-JTQLQIEISA-N -1 3 390.423 0.001 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574502833 950391694 /nfs/dbraw/zinc/39/16/94/950391694.db2.gz QWSZKOWDZSQATB-JTQLQIEISA-N -1 3 390.423 0.001 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574991202 950393582 /nfs/dbraw/zinc/39/35/82/950393582.db2.gz IOUBEELDKWTSAG-WDEREUQCSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001574991202 950393601 /nfs/dbraw/zinc/39/36/01/950393601.db2.gz IOUBEELDKWTSAG-WDEREUQCSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574746710 950396444 /nfs/dbraw/zinc/39/64/44/950396444.db2.gz ONBRKTMMZABBPJ-JTQLQIEISA-N -1 3 386.420 0.279 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nsc(N(C)C)n1 ZINC001574991385 950400220 /nfs/dbraw/zinc/40/02/20/950400220.db2.gz KWFWINJHVHDTMF-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nsc(N(C)C)n1 ZINC001574991385 950400235 /nfs/dbraw/zinc/40/02/35/950400235.db2.gz KWFWINJHVHDTMF-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503084 950400544 /nfs/dbraw/zinc/40/05/44/950400544.db2.gz SZTNXXOKUGMDIH-NWDGAFQWSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503084 950400571 /nfs/dbraw/zinc/40/05/71/950400571.db2.gz SZTNXXOKUGMDIH-NWDGAFQWSA-N -1 3 387.448 0.041 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)CO1 ZINC001573857012 950400892 /nfs/dbraw/zinc/40/08/92/950400892.db2.gz KRFCITUDXIXJJV-LBPRGKRZSA-N -1 3 390.400 0.913 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)CO1 ZINC001573857012 950400904 /nfs/dbraw/zinc/40/09/04/950400904.db2.gz KRFCITUDXIXJJV-LBPRGKRZSA-N -1 3 390.400 0.913 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCc1cccnc1 ZINC001574991445 950402698 /nfs/dbraw/zinc/40/26/98/950402698.db2.gz LSYJEFDNCVCFLA-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCc1cccnc1 ZINC001574991445 950402708 /nfs/dbraw/zinc/40/27/08/950402708.db2.gz LSYJEFDNCVCFLA-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)n2ncc(-c3nnn[n-]3)c2N)C1 ZINC001573857123 950403367 /nfs/dbraw/zinc/40/33/67/950403367.db2.gz OPHGAGMAPPGMTC-OAHLLOKOSA-N -1 3 378.393 0.312 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575597229 950403592 /nfs/dbraw/zinc/40/35/92/950403592.db2.gz ZFYGXULGMDKCOE-KSSFIOAISA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575597229 950403603 /nfs/dbraw/zinc/40/36/03/950403603.db2.gz ZFYGXULGMDKCOE-KSSFIOAISA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575597227 950404176 /nfs/dbraw/zinc/40/41/76/950404176.db2.gz ZFYGXULGMDKCOE-KBXCAEBGSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575597227 950404193 /nfs/dbraw/zinc/40/41/93/950404193.db2.gz ZFYGXULGMDKCOE-KBXCAEBGSA-N -1 3 387.444 0.400 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)ccn2)C1 ZINC001573857109 950405299 /nfs/dbraw/zinc/40/52/99/950405299.db2.gz OAHBSDUWLVOZFY-WCQYABFASA-N -1 3 389.416 0.219 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)ccn2)C1 ZINC001573857109 950405312 /nfs/dbraw/zinc/40/53/12/950405312.db2.gz OAHBSDUWLVOZFY-WCQYABFASA-N -1 3 389.416 0.219 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001574503633 950413966 /nfs/dbraw/zinc/41/39/66/950413966.db2.gz YDHWLJAGAYRYOX-NHYWBVRUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001574503633 950413978 /nfs/dbraw/zinc/41/39/78/950413978.db2.gz YDHWLJAGAYRYOX-NHYWBVRUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574991643 950417726 /nfs/dbraw/zinc/41/77/26/950417726.db2.gz QCVVWBONOGGNHD-VXGBXAGGSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574991643 950417744 /nfs/dbraw/zinc/41/77/44/950417744.db2.gz QCVVWBONOGGNHD-VXGBXAGGSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1(c2cccnc2)CC1 ZINC001574991872 950420603 /nfs/dbraw/zinc/42/06/03/950420603.db2.gz SVLHBNSSTVQUOM-LLVKDONJSA-N -1 3 380.412 0.556 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1(c2cccnc2)CC1 ZINC001574991872 950420616 /nfs/dbraw/zinc/42/06/16/950420616.db2.gz SVLHBNSSTVQUOM-LLVKDONJSA-N -1 3 380.412 0.556 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575599012 950422504 /nfs/dbraw/zinc/42/25/04/950422504.db2.gz ASBYJSSECRJXIG-FMTVUPSXSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575599012 950422520 /nfs/dbraw/zinc/42/25/20/950422520.db2.gz ASBYJSSECRJXIG-FMTVUPSXSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574503962 950423801 /nfs/dbraw/zinc/42/38/01/950423801.db2.gz YYOQJRMNLWULKH-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574503962 950423809 /nfs/dbraw/zinc/42/38/09/950423809.db2.gz YYOQJRMNLWULKH-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCn1ccnc1 ZINC001574750448 950425028 /nfs/dbraw/zinc/42/50/28/950425028.db2.gz APWDISUSVQUAAV-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCn1ccnc1 ZINC001574750448 950425038 /nfs/dbraw/zinc/42/50/38/950425038.db2.gz APWDISUSVQUAAV-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccn2nnnc2c1 ZINC001575910700 950428298 /nfs/dbraw/zinc/42/82/98/950428298.db2.gz AWBVDIRKFSGNDA-GXFFZTMASA-N -1 3 391.399 0.415 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccn2nnnc2c1 ZINC001575910700 950428314 /nfs/dbraw/zinc/42/83/14/950428314.db2.gz AWBVDIRKFSGNDA-GXFFZTMASA-N -1 3 391.399 0.415 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001573860626 950428626 /nfs/dbraw/zinc/42/86/26/950428626.db2.gz KBBUUVLHXKPEDZ-KGLIPLIRSA-N -1 3 388.428 0.336 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001573860626 950428639 /nfs/dbraw/zinc/42/86/39/950428639.db2.gz KBBUUVLHXKPEDZ-KGLIPLIRSA-N -1 3 388.428 0.336 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001574750513 950430319 /nfs/dbraw/zinc/43/03/19/950430319.db2.gz BMTTWJZWMPLBNI-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001574750513 950430327 /nfs/dbraw/zinc/43/03/27/950430327.db2.gz BMTTWJZWMPLBNI-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574506647 950437459 /nfs/dbraw/zinc/43/74/59/950437459.db2.gz BFAKBKXMIUIXCH-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574506647 950437474 /nfs/dbraw/zinc/43/74/74/950437474.db2.gz BFAKBKXMIUIXCH-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574992206 950438836 /nfs/dbraw/zinc/43/88/36/950438836.db2.gz YUOXNQBFHMVGDY-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574992206 950438849 /nfs/dbraw/zinc/43/88/49/950438849.db2.gz YUOXNQBFHMVGDY-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1csc(Cl)n1 ZINC001574992347 950442103 /nfs/dbraw/zinc/44/21/03/950442103.db2.gz AJPIIXHDDNIDBI-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1csc(Cl)n1 ZINC001574992347 950442112 /nfs/dbraw/zinc/44/21/12/950442112.db2.gz AJPIIXHDDNIDBI-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575604469 950443478 /nfs/dbraw/zinc/44/34/78/950443478.db2.gz ASTQNJGXCRSXQL-LSIMKLPESA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575604469 950443491 /nfs/dbraw/zinc/44/34/91/950443491.db2.gz ASTQNJGXCRSXQL-LSIMKLPESA-N -1 3 385.428 0.483 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(N(C)C)ccn1 ZINC001574992432 950446942 /nfs/dbraw/zinc/44/69/42/950446942.db2.gz CBNCGDCFSXVYLS-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(N(C)C)ccn1 ZINC001574992432 950446952 /nfs/dbraw/zinc/44/69/52/950446952.db2.gz CBNCGDCFSXVYLS-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1coc(CC2CC2)n1 ZINC001574992450 950447278 /nfs/dbraw/zinc/44/72/78/950447278.db2.gz CQAUWVSAUDLTSH-VIFPVBQESA-N -1 3 384.400 0.684 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1coc(CC2CC2)n1 ZINC001574992450 950447290 /nfs/dbraw/zinc/44/72/90/950447290.db2.gz CQAUWVSAUDLTSH-VIFPVBQESA-N -1 3 384.400 0.684 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)c1cncnc1 ZINC001574751005 950448587 /nfs/dbraw/zinc/44/85/87/950448587.db2.gz KBUSCNRZXLVLON-QWRGUYRKSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)c1cncnc1 ZINC001574751005 950448601 /nfs/dbraw/zinc/44/86/01/950448601.db2.gz KBUSCNRZXLVLON-QWRGUYRKSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575911725 950451048 /nfs/dbraw/zinc/45/10/48/950451048.db2.gz PMUFQYBOZXBDLL-OCCSQVGLSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1cncn1 ZINC001575911725 950451060 /nfs/dbraw/zinc/45/10/60/950451060.db2.gz PMUFQYBOZXBDLL-OCCSQVGLSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCCOC1 ZINC001574751190 950451918 /nfs/dbraw/zinc/45/19/18/950451918.db2.gz LBONPEAUAAGLGA-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCCOC1 ZINC001574751190 950451926 /nfs/dbraw/zinc/45/19/26/950451926.db2.gz LBONPEAUAAGLGA-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@@]1(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)cn2)CCNC1=O ZINC001574165820 950454190 /nfs/dbraw/zinc/45/41/90/950454190.db2.gz JGVNNKDITSWUCR-SFHVURJKSA-N -1 3 386.460 0.367 20 0 GCADHM CC(C)C[C@@]1(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)cn2)CCNC1=O ZINC001574165820 950454201 /nfs/dbraw/zinc/45/42/01/950454201.db2.gz JGVNNKDITSWUCR-SFHVURJKSA-N -1 3 386.460 0.367 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001574165792 950455673 /nfs/dbraw/zinc/45/56/73/950455673.db2.gz IMRIDLKHLWPRKJ-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001574165792 950455694 /nfs/dbraw/zinc/45/56/94/950455694.db2.gz IMRIDLKHLWPRKJ-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C[C@@H]2O)CCOC1 ZINC001575605404 950463023 /nfs/dbraw/zinc/46/30/23/950463023.db2.gz NJMYDZXCZUZHBM-RVKKMQEKSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1cncn1C ZINC001575912573 950464424 /nfs/dbraw/zinc/46/44/24/950464424.db2.gz HHCKWNNXAJROPM-WCQYABFASA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574751689 950465572 /nfs/dbraw/zinc/46/55/72/950465572.db2.gz QNWOLISNMFUICV-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574751689 950465580 /nfs/dbraw/zinc/46/55/80/950465580.db2.gz QNWOLISNMFUICV-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574993646 950466607 /nfs/dbraw/zinc/46/66/07/950466607.db2.gz LWAKFNSYEJBPBZ-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574993646 950466625 /nfs/dbraw/zinc/46/66/25/950466625.db2.gz LWAKFNSYEJBPBZ-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912673 950467771 /nfs/dbraw/zinc/46/77/71/950467771.db2.gz IAIZFGGDUVFILI-SKDRFNHKSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912673 950467787 /nfs/dbraw/zinc/46/77/87/950467787.db2.gz IAIZFGGDUVFILI-SKDRFNHKSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912662 950468633 /nfs/dbraw/zinc/46/86/33/950468633.db2.gz IAIZFGGDUVFILI-BXKDBHETSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912662 950468650 /nfs/dbraw/zinc/46/86/50/950468650.db2.gz IAIZFGGDUVFILI-BXKDBHETSA-N -1 3 381.400 0.404 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001573862652 950470898 /nfs/dbraw/zinc/47/08/98/950470898.db2.gz ZSJCNZZYAMTOSX-UONOGXRCSA-N -1 3 388.428 0.336 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001573862652 950470908 /nfs/dbraw/zinc/47/09/08/950470908.db2.gz ZSJCNZZYAMTOSX-UONOGXRCSA-N -1 3 388.428 0.336 20 0 GCADHM CC(C)n1ncnc1CN[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001575913021 950471878 /nfs/dbraw/zinc/47/18/78/950471878.db2.gz SOOHDGGCIILTEF-NEPJUHHUSA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001574166614 950472865 /nfs/dbraw/zinc/47/28/65/950472865.db2.gz UHZNOAHWFZBWGJ-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001574166614 950472875 /nfs/dbraw/zinc/47/28/75/950472875.db2.gz UHZNOAHWFZBWGJ-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ncccc1-c1nnn[n-]1 ZINC001574752145 950474146 /nfs/dbraw/zinc/47/41/46/950474146.db2.gz UINLLLCWVKRATN-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ncccc1-c1nn[n-]n1 ZINC001574752145 950474164 /nfs/dbraw/zinc/47/41/64/950474164.db2.gz UINLLLCWVKRATN-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2O)CCOCC1 ZINC001575605669 950477294 /nfs/dbraw/zinc/47/72/94/950477294.db2.gz SNWWDKFUNGAEMI-OLZOCXBDSA-N -1 3 392.485 0.406 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2O)CCOCC1 ZINC001575605669 950477307 /nfs/dbraw/zinc/47/73/07/950477307.db2.gz SNWWDKFUNGAEMI-OLZOCXBDSA-N -1 3 392.485 0.406 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001575605761 950482459 /nfs/dbraw/zinc/48/24/59/950482459.db2.gz SKDJBNQSDQWWNU-TXEJJXNPSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001575605761 950482477 /nfs/dbraw/zinc/48/24/77/950482477.db2.gz SKDJBNQSDQWWNU-TXEJJXNPSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574994504 950484416 /nfs/dbraw/zinc/48/44/16/950484416.db2.gz SCFSRWXUYIEMRE-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574994504 950484426 /nfs/dbraw/zinc/48/44/26/950484426.db2.gz SCFSRWXUYIEMRE-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccncn1 ZINC001574752424 950485799 /nfs/dbraw/zinc/48/57/99/950485799.db2.gz WPEWGBXJVGSSQX-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccncn1 ZINC001574752424 950485813 /nfs/dbraw/zinc/48/58/13/950485813.db2.gz WPEWGBXJVGSSQX-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CC(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574508729 950486295 /nfs/dbraw/zinc/48/62/95/950486295.db2.gz NDRVMMZZWDPQKI-AWEZNQCLSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@@H](CC(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574508729 950486310 /nfs/dbraw/zinc/48/63/10/950486310.db2.gz NDRVMMZZWDPQKI-AWEZNQCLSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575913831 950486560 /nfs/dbraw/zinc/48/65/60/950486560.db2.gz JULOIQBDDSLCNT-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575913831 950486570 /nfs/dbraw/zinc/48/65/70/950486570.db2.gz JULOIQBDDSLCNT-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2O)CCOC1 ZINC001575605899 950486974 /nfs/dbraw/zinc/48/69/74/950486974.db2.gz ZMNYHXBXXNWQQS-XHBSWPGZSA-N -1 3 378.458 0.016 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2O)CCOC1 ZINC001575605899 950486982 /nfs/dbraw/zinc/48/69/82/950486982.db2.gz ZMNYHXBXXNWQQS-XHBSWPGZSA-N -1 3 378.458 0.016 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC001574994570 950487508 /nfs/dbraw/zinc/48/75/08/950487508.db2.gz USVSMWWZYCTJJE-XPTSAGLGSA-N -1 3 386.391 0.268 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC001574994570 950487524 /nfs/dbraw/zinc/48/75/24/950487524.db2.gz USVSMWWZYCTJJE-XPTSAGLGSA-N -1 3 386.391 0.268 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccn(C(F)F)n1 ZINC001574994573 950489166 /nfs/dbraw/zinc/48/91/66/950489166.db2.gz UUDOUANYKJBLLI-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccn(C(F)F)n1 ZINC001574994573 950489173 /nfs/dbraw/zinc/48/91/73/950489173.db2.gz UUDOUANYKJBLLI-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@H]2O)CCOC1 ZINC001575605907 950489582 /nfs/dbraw/zinc/48/95/82/950489582.db2.gz ZRZKKUJKWYWDDB-RKVPGOIHSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C[C@H]2O)CCOC1 ZINC001575605907 950489596 /nfs/dbraw/zinc/48/95/96/950489596.db2.gz ZRZKKUJKWYWDDB-RKVPGOIHSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575913902 950489950 /nfs/dbraw/zinc/48/99/50/950489950.db2.gz KEAYCDGALCLCLI-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575913902 950489968 /nfs/dbraw/zinc/48/99/68/950489968.db2.gz KEAYCDGALCLCLI-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@@H]2O)CCOC1 ZINC001575605909 950490232 /nfs/dbraw/zinc/49/02/32/950490232.db2.gz ZRZKKUJKWYWDDB-VKJFTORMSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C[C@@H]2O)CCOC1 ZINC001575605909 950490247 /nfs/dbraw/zinc/49/02/47/950490247.db2.gz ZRZKKUJKWYWDDB-VKJFTORMSA-N -1 3 390.419 0.094 20 0 GCADHM CC(C)(C)OC(=O)c1c[nH]nc1NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573863950 950491377 /nfs/dbraw/zinc/49/13/77/950491377.db2.gz UQFVZMMQMHFLCB-UHFFFAOYSA-N -1 3 385.388 0.991 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575913905 950492963 /nfs/dbraw/zinc/49/29/63/950492963.db2.gz KEAYCDGALCLCLI-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575913905 950492976 /nfs/dbraw/zinc/49/29/76/950492976.db2.gz KEAYCDGALCLCLI-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574994734 950493287 /nfs/dbraw/zinc/49/32/87/950493287.db2.gz XYFXYXFOPUYTNK-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574994734 950493301 /nfs/dbraw/zinc/49/33/01/950493301.db2.gz XYFXYXFOPUYTNK-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001574994707 950493922 /nfs/dbraw/zinc/49/39/22/950493922.db2.gz XORAFWVQIMIWPZ-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001574994707 950493931 /nfs/dbraw/zinc/49/39/31/950493931.db2.gz XORAFWVQIMIWPZ-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)c1cnn(C)c1 ZINC001574752717 950495091 /nfs/dbraw/zinc/49/50/91/950495091.db2.gz ZMOKSGPFOPRUAA-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)c1cnn(C)c1 ZINC001574752717 950495103 /nfs/dbraw/zinc/49/51/03/950495103.db2.gz ZMOKSGPFOPRUAA-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM CC(C)(C)OCC(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573866401 950497023 /nfs/dbraw/zinc/49/70/23/950497023.db2.gz ARJFFHLPQGDXLG-UHFFFAOYSA-N -1 3 375.433 0.684 20 0 GCADHM CC(C)(C)OCC(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573866401 950497035 /nfs/dbraw/zinc/49/70/35/950497035.db2.gz ARJFFHLPQGDXLG-UHFFFAOYSA-N -1 3 375.433 0.684 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575606999 950498239 /nfs/dbraw/zinc/49/82/39/950498239.db2.gz DXNKDPDSSYRWAP-USBNGQNGSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575606999 950498250 /nfs/dbraw/zinc/49/82/50/950498250.db2.gz DXNKDPDSSYRWAP-USBNGQNGSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCCS1(=O)=O ZINC001575606697 950498444 /nfs/dbraw/zinc/49/84/44/950498444.db2.gz CSGWERWRGSIETQ-MKBNYLNASA-N -1 3 391.457 0.288 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCCS1(=O)=O ZINC001575606697 950498457 /nfs/dbraw/zinc/49/84/57/950498457.db2.gz CSGWERWRGSIETQ-MKBNYLNASA-N -1 3 391.457 0.288 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573866476 950501070 /nfs/dbraw/zinc/50/10/70/950501070.db2.gz DPDVEGJHETZDEG-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573866476 950501090 /nfs/dbraw/zinc/50/10/90/950501090.db2.gz DPDVEGJHETZDEG-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574995268 950501236 /nfs/dbraw/zinc/50/12/36/950501236.db2.gz CWGFDNHMAOXXNE-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574995268 950501253 /nfs/dbraw/zinc/50/12/53/950501253.db2.gz CWGFDNHMAOXXNE-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573866503 950504861 /nfs/dbraw/zinc/50/48/61/950504861.db2.gz FFCWMVCREUUKMX-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573866503 950504874 /nfs/dbraw/zinc/50/48/74/950504874.db2.gz FFCWMVCREUUKMX-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C2CC2)no1 ZINC001574752903 950505512 /nfs/dbraw/zinc/50/55/12/950505512.db2.gz CSBNUCRSEWUYQL-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C2CC2)no1 ZINC001574752903 950505529 /nfs/dbraw/zinc/50/55/29/950505529.db2.gz CSBNUCRSEWUYQL-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574509335 950508926 /nfs/dbraw/zinc/50/89/26/950508926.db2.gz RALNSFPBLFAPPU-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574509335 950508945 /nfs/dbraw/zinc/50/89/45/950508945.db2.gz RALNSFPBLFAPPU-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574753161 950510326 /nfs/dbraw/zinc/51/03/26/950510326.db2.gz JCTWNBCFGGEITA-VIFPVBQESA-N -1 3 387.379 0.067 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574753161 950510339 /nfs/dbraw/zinc/51/03/39/950510339.db2.gz JCTWNBCFGGEITA-VIFPVBQESA-N -1 3 387.379 0.067 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ncccc1F ZINC001574753220 950512123 /nfs/dbraw/zinc/51/21/23/950512123.db2.gz DMQOFBNXNNNRSU-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ncccc1F ZINC001574753220 950512151 /nfs/dbraw/zinc/51/21/51/950512151.db2.gz DMQOFBNXNNNRSU-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM CC1CCN(CC(=O)NC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C2CC2)CC1 ZINC001576205394 950512313 /nfs/dbraw/zinc/51/23/13/950512313.db2.gz IKGROBBHCXETHN-AWEZNQCLSA-N -1 3 385.476 0.117 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ncccc1F ZINC001574753222 950513575 /nfs/dbraw/zinc/51/35/75/950513575.db2.gz DMQOFBNXNNNRSU-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ncccc1F ZINC001574753222 950513591 /nfs/dbraw/zinc/51/35/91/950513591.db2.gz DMQOFBNXNNNRSU-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573866889 950514819 /nfs/dbraw/zinc/51/48/19/950514819.db2.gz NDYOLOIEUJUYMO-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573866889 950514831 /nfs/dbraw/zinc/51/48/31/950514831.db2.gz NDYOLOIEUJUYMO-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)NCCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001574509685 950523945 /nfs/dbraw/zinc/52/39/45/950523945.db2.gz VOZAIWNZVJTFSA-CYBMUJFWSA-N -1 3 385.476 0.331 20 0 GCADHM C[C@H](CNC(=O)c1cc(Br)n[nH]1)Nc1ncccc1-c1nnn[n-]1 ZINC001574996391 950525252 /nfs/dbraw/zinc/52/52/52/950525252.db2.gz MEJWTHLVNCWHHD-SSDOTTSWSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@H](CNC(=O)c1cc(Br)n[nH]1)Nc1ncccc1-c1nn[n-]n1 ZINC001574996391 950525271 /nfs/dbraw/zinc/52/52/71/950525271.db2.gz MEJWTHLVNCWHHD-SSDOTTSWSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@H](CC(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574509721 950527396 /nfs/dbraw/zinc/52/73/96/950527396.db2.gz WIVFPHYWZMCZCW-GFCCVEGCSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@H](CC(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001574509721 950527416 /nfs/dbraw/zinc/52/74/16/950527416.db2.gz WIVFPHYWZMCZCW-GFCCVEGCSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573867331 950528643 /nfs/dbraw/zinc/52/86/43/950528643.db2.gz WJGNWNPXJRWPJU-SFHVURJKSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573867331 950528656 /nfs/dbraw/zinc/52/86/56/950528656.db2.gz WJGNWNPXJRWPJU-SFHVURJKSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2 ZINC001574170023 950528787 /nfs/dbraw/zinc/52/87/87/950528787.db2.gz DBTFIYKQEHKIKW-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CCC(=O)N1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2 ZINC001574170023 950528796 /nfs/dbraw/zinc/52/87/96/950528796.db2.gz DBTFIYKQEHKIKW-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM CC1CCN(CC(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576205675 950532740 /nfs/dbraw/zinc/53/27/40/950532740.db2.gz MJVKYPQACSTQHZ-UHFFFAOYSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nnc(C(F)F)s1 ZINC001574996730 950534306 /nfs/dbraw/zinc/53/43/06/950534306.db2.gz PCKSJOFHVSXAGK-LURJTMIESA-N -1 3 383.388 0.892 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nnc(C(F)F)s1 ZINC001574996730 950534326 /nfs/dbraw/zinc/53/43/26/950534326.db2.gz PCKSJOFHVSXAGK-LURJTMIESA-N -1 3 383.388 0.892 20 0 GCADHM CC(C)(C)OCC(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573868310 950535908 /nfs/dbraw/zinc/53/59/08/950535908.db2.gz BCFODFMYTFTNMO-UHFFFAOYSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573868310 950535932 /nfs/dbraw/zinc/53/59/32/950535932.db2.gz BCFODFMYTFTNMO-UHFFFAOYSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H]1[C@H](NCc2ncnn2CCF)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916443 950537727 /nfs/dbraw/zinc/53/77/27/950537727.db2.gz ZUZGKOMLYSDUKH-CMPLNLGQSA-N -1 3 388.411 0.149 20 0 GCADHM C[C@H]1[C@H](NCc2ncnn2CCF)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916443 950537751 /nfs/dbraw/zinc/53/77/51/950537751.db2.gz ZUZGKOMLYSDUKH-CMPLNLGQSA-N -1 3 388.411 0.149 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574753782 950538991 /nfs/dbraw/zinc/53/89/91/950538991.db2.gz SCEGVBPIFKGKKR-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574753782 950539010 /nfs/dbraw/zinc/53/90/10/950539010.db2.gz SCEGVBPIFKGKKR-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COc1cccnc1 ZINC001574753775 950541253 /nfs/dbraw/zinc/54/12/53/950541253.db2.gz HMKLACVCKGOGTC-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COc1cccnc1 ZINC001574753775 950541274 /nfs/dbraw/zinc/54/12/74/950541274.db2.gz HMKLACVCKGOGTC-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001574170407 950542012 /nfs/dbraw/zinc/54/20/12/950542012.db2.gz IJMFYCSZUWSEAU-JSGCOSHPSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001574170407 950542026 /nfs/dbraw/zinc/54/20/26/950542026.db2.gz IJMFYCSZUWSEAU-JSGCOSHPSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574753806 950546136 /nfs/dbraw/zinc/54/61/36/950546136.db2.gz SQPZBNSCQCKTIP-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574753806 950546142 /nfs/dbraw/zinc/54/61/42/950546142.db2.gz SQPZBNSCQCKTIP-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2n[nH]nc2n1 ZINC001575916779 950548772 /nfs/dbraw/zinc/54/87/72/950548772.db2.gz RXDQYACGHGQNLR-MWLCHTKSSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2n[nH]nc2n1 ZINC001575916779 950548778 /nfs/dbraw/zinc/54/87/78/950548778.db2.gz RXDQYACGHGQNLR-MWLCHTKSSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1ccnc1 ZINC001574510911 950551422 /nfs/dbraw/zinc/55/14/22/950551422.db2.gz DMLVAJYLNZJKLR-YRGRVCCFSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1ccnc1 ZINC001574510911 950551438 /nfs/dbraw/zinc/55/14/38/950551438.db2.gz DMLVAJYLNZJKLR-YRGRVCCFSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)c1ccco1 ZINC001574511089 950552790 /nfs/dbraw/zinc/55/27/90/950552790.db2.gz FWQZEVLCSJXDKZ-LERXQTSPSA-N -1 3 399.411 0.283 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)c1ccco1 ZINC001574511089 950552804 /nfs/dbraw/zinc/55/28/04/950552804.db2.gz FWQZEVLCSJXDKZ-LERXQTSPSA-N -1 3 399.411 0.283 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001574998821 950557951 /nfs/dbraw/zinc/55/79/51/950557951.db2.gz AWHXJQRJSCPLKK-VIFPVBQESA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001574998821 950557973 /nfs/dbraw/zinc/55/79/73/950557973.db2.gz AWHXJQRJSCPLKK-VIFPVBQESA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574998837 950561316 /nfs/dbraw/zinc/56/13/16/950561316.db2.gz BHPLLMZIDZKURE-ZETCQYMHSA-N -1 3 390.404 0.792 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574998837 950561333 /nfs/dbraw/zinc/56/13/33/950561333.db2.gz BHPLLMZIDZKURE-ZETCQYMHSA-N -1 3 390.404 0.792 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574754124 950562919 /nfs/dbraw/zinc/56/29/19/950562919.db2.gz YCSPIOOHMRLLGZ-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574754124 950562927 /nfs/dbraw/zinc/56/29/27/950562927.db2.gz YCSPIOOHMRLLGZ-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573869428 950565087 /nfs/dbraw/zinc/56/50/87/950565087.db2.gz POCSPPUXPFGHMX-SMDDNHRTSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573869428 950565108 /nfs/dbraw/zinc/56/51/08/950565108.db2.gz POCSPPUXPFGHMX-SMDDNHRTSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCN1CCOCC1 ZINC001575917321 950566588 /nfs/dbraw/zinc/56/65/88/950566588.db2.gz WKIHEPUVYCTFDD-DZGCQCFKSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCN1CCOCC1 ZINC001575917321 950566611 /nfs/dbraw/zinc/56/66/11/950566611.db2.gz WKIHEPUVYCTFDD-DZGCQCFKSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574999041 950567129 /nfs/dbraw/zinc/56/71/29/950567129.db2.gz DSENPBZZJUABQW-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574999041 950567147 /nfs/dbraw/zinc/56/71/47/950567147.db2.gz DSENPBZZJUABQW-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)n1cccc1 ZINC001574511745 950569752 /nfs/dbraw/zinc/56/97/52/950569752.db2.gz SRDPMABKBSCACY-YUELXQCFSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)n1cccc1 ZINC001574511745 950569774 /nfs/dbraw/zinc/56/97/74/950569774.db2.gz SRDPMABKBSCACY-YUELXQCFSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574999251 950573962 /nfs/dbraw/zinc/57/39/62/950573962.db2.gz HWNOQNLCCMQVKF-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)n[nH]1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574999251 950573991 /nfs/dbraw/zinc/57/39/91/950573991.db2.gz HWNOQNLCCMQVKF-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573869778 950574085 /nfs/dbraw/zinc/57/40/85/950574085.db2.gz CTSFLWYBPAPWGG-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573869778 950574109 /nfs/dbraw/zinc/57/41/09/950574109.db2.gz CTSFLWYBPAPWGG-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001573869955 950580311 /nfs/dbraw/zinc/58/03/11/950580311.db2.gz SMJKZUQAPIOHGK-CHWSQXEVSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001573869955 950580325 /nfs/dbraw/zinc/58/03/25/950580325.db2.gz SMJKZUQAPIOHGK-CHWSQXEVSA-N -1 3 375.433 0.133 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574754767 950582542 /nfs/dbraw/zinc/58/25/42/950582542.db2.gz PQKTWOCHPBRZDC-HCKVZZMMSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574754767 950582551 /nfs/dbraw/zinc/58/25/51/950582551.db2.gz PQKTWOCHPBRZDC-HCKVZZMMSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574999678 950585023 /nfs/dbraw/zinc/58/50/23/950585023.db2.gz LMPGFBXTJRCLNV-MRVPVSSYSA-N -1 3 387.379 0.083 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574999678 950585042 /nfs/dbraw/zinc/58/50/42/950585042.db2.gz LMPGFBXTJRCLNV-MRVPVSSYSA-N -1 3 387.379 0.083 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C)n1ccnc1 ZINC001574512719 950586359 /nfs/dbraw/zinc/58/63/59/950586359.db2.gz AUGOVTYSXNEENX-UPJWGTAASA-N -1 3 382.432 0.588 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001573870188 950586736 /nfs/dbraw/zinc/58/67/36/950586736.db2.gz GGXUQNUNPUPKFO-CYBMUJFWSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001573870188 950586750 /nfs/dbraw/zinc/58/67/50/950586750.db2.gz GGXUQNUNPUPKFO-CYBMUJFWSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574172915 950588007 /nfs/dbraw/zinc/58/80/07/950588007.db2.gz COJISCZMCYOPOC-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574172915 950588027 /nfs/dbraw/zinc/58/80/27/950588027.db2.gz COJISCZMCYOPOC-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C)n1ccnc1 ZINC001574513019 950590654 /nfs/dbraw/zinc/59/06/54/950590654.db2.gz GOMOTHSQBQRZGT-SCRDCRAPSA-N -1 3 397.443 0.762 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C)n1ccnc1 ZINC001574513019 950590664 /nfs/dbraw/zinc/59/06/64/950590664.db2.gz GOMOTHSQBQRZGT-SCRDCRAPSA-N -1 3 397.443 0.762 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1n[nH]c2c1CCC2 ZINC001574755146 950593252 /nfs/dbraw/zinc/59/32/52/950593252.db2.gz SDQVAUUDPVHGSO-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1nnnn1C1CC1 ZINC001574755766 950595635 /nfs/dbraw/zinc/59/56/35/950595635.db2.gz VMWSONXULDDQIK-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1 ZINC001573870557 950596380 /nfs/dbraw/zinc/59/63/80/950596380.db2.gz IHRKNMNVFBMSRP-CQSZACIVSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1 ZINC001573870557 950596398 /nfs/dbraw/zinc/59/63/98/950596398.db2.gz IHRKNMNVFBMSRP-CQSZACIVSA-N -1 3 389.460 0.788 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575616984 950596607 /nfs/dbraw/zinc/59/66/07/950596607.db2.gz XAUOPSVTULFLLQ-JTQLQIEISA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575616984 950596627 /nfs/dbraw/zinc/59/66/27/950596627.db2.gz XAUOPSVTULFLLQ-JTQLQIEISA-N -1 3 389.460 0.474 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574755805 950599347 /nfs/dbraw/zinc/59/93/47/950599347.db2.gz WHGHAMMQTLMWCV-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574755805 950599370 /nfs/dbraw/zinc/59/93/70/950599370.db2.gz WHGHAMMQTLMWCV-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cncnc1 ZINC001574756290 950603014 /nfs/dbraw/zinc/60/30/14/950603014.db2.gz YNQNJFCEMQSTMN-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cncnc1 ZINC001574756290 950603024 /nfs/dbraw/zinc/60/30/24/950603024.db2.gz YNQNJFCEMQSTMN-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575000487 950603116 /nfs/dbraw/zinc/60/31/16/950603116.db2.gz PZRWKNLDSKTLSS-SECBINFHSA-N -1 3 386.441 0.677 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575000487 950603145 /nfs/dbraw/zinc/60/31/45/950603145.db2.gz PZRWKNLDSKTLSS-SECBINFHSA-N -1 3 386.441 0.677 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000651 950607344 /nfs/dbraw/zinc/60/73/44/950607344.db2.gz RJUNZZWFIOEPEI-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000651 950607352 /nfs/dbraw/zinc/60/73/52/950607352.db2.gz RJUNZZWFIOEPEI-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)no1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000553 950607442 /nfs/dbraw/zinc/60/74/42/950607442.db2.gz FNUBUSWCXDXFDE-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)no1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000553 950607454 /nfs/dbraw/zinc/60/74/54/950607454.db2.gz FNUBUSWCXDXFDE-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM CC(C)(C)OCC(=O)NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573871041 950609477 /nfs/dbraw/zinc/60/94/77/950609477.db2.gz MFBOAJLDHKULNL-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573871041 950609502 /nfs/dbraw/zinc/60/95/02/950609502.db2.gz MFBOAJLDHKULNL-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575000712 950611995 /nfs/dbraw/zinc/61/19/95/950611995.db2.gz RVKNHWYTGXMCCH-LLVKDONJSA-N -1 3 385.432 0.566 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575000712 950612007 /nfs/dbraw/zinc/61/20/07/950612007.db2.gz RVKNHWYTGXMCCH-LLVKDONJSA-N -1 3 385.432 0.566 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573871129 950612142 /nfs/dbraw/zinc/61/21/42/950612142.db2.gz NJXKGOIVKZRBBF-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573871129 950612163 /nfs/dbraw/zinc/61/21/63/950612163.db2.gz NJXKGOIVKZRBBF-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575000820 950612246 /nfs/dbraw/zinc/61/22/46/950612246.db2.gz GCHNRWAXSNLIQI-QGZVFWFLSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575000820 950612252 /nfs/dbraw/zinc/61/22/52/950612252.db2.gz GCHNRWAXSNLIQI-QGZVFWFLSA-N -1 3 386.391 0.991 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1(C)C ZINC001575618620 950612644 /nfs/dbraw/zinc/61/26/44/950612644.db2.gz LSBFXGFYMZVYCN-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1(C)C ZINC001575618620 950612664 /nfs/dbraw/zinc/61/26/64/950612664.db2.gz LSBFXGFYMZVYCN-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575000713 950613079 /nfs/dbraw/zinc/61/30/79/950613079.db2.gz RVKNHWYTGXMCCH-NSHDSACASA-N -1 3 385.432 0.566 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575000713 950613105 /nfs/dbraw/zinc/61/31/05/950613105.db2.gz RVKNHWYTGXMCCH-NSHDSACASA-N -1 3 385.432 0.566 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)C1(C)C ZINC001575619075 950616482 /nfs/dbraw/zinc/61/64/82/950616482.db2.gz MPXBDYPSFDCKSQ-OLZOCXBDSA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)C1(C)C ZINC001575619075 950616494 /nfs/dbraw/zinc/61/64/94/950616494.db2.gz MPXBDYPSFDCKSQ-OLZOCXBDSA-N -1 3 385.472 1.000 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573871618 950624739 /nfs/dbraw/zinc/62/47/39/950624739.db2.gz TZCBKLDAUYSRGU-CYBMUJFWSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573871618 950624755 /nfs/dbraw/zinc/62/47/55/950624755.db2.gz TZCBKLDAUYSRGU-CYBMUJFWSA-N -1 3 375.433 0.635 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1(C)C ZINC001575620403 950631857 /nfs/dbraw/zinc/63/18/57/950631857.db2.gz XKXPKNFVDVHABH-VIFPVBQESA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1(C)C ZINC001575620403 950631867 /nfs/dbraw/zinc/63/18/67/950631867.db2.gz XKXPKNFVDVHABH-VIFPVBQESA-N -1 3 375.433 0.084 20 0 GCADHM CCN1CCN(CCC(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])CC1 ZINC001589744148 950641537 /nfs/dbraw/zinc/64/15/37/950641537.db2.gz ADYKPCCPGMPTIS-KRWDZBQOSA-N -1 3 391.468 0.717 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)n1ccnc1 ZINC001574516968 950642531 /nfs/dbraw/zinc/64/25/31/950642531.db2.gz JGKNDHPHBQNPKW-HVOFVXBASA-N -1 3 379.428 0.660 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)n1ccnc1 ZINC001574516968 950642547 /nfs/dbraw/zinc/64/25/47/950642547.db2.gz JGKNDHPHBQNPKW-HVOFVXBASA-N -1 3 379.428 0.660 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575002110 950648986 /nfs/dbraw/zinc/64/89/86/950648986.db2.gz ZDDAUXFSPQJTHI-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575002110 950648998 /nfs/dbraw/zinc/64/89/98/950648998.db2.gz ZDDAUXFSPQJTHI-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)C1 ZINC001575623557 950651467 /nfs/dbraw/zinc/65/14/67/950651467.db2.gz COKHWBCGELBZHS-RISCZKNCSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)C1 ZINC001575623557 950651480 /nfs/dbraw/zinc/65/14/80/950651480.db2.gz COKHWBCGELBZHS-RISCZKNCSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)on1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575001999 950651658 /nfs/dbraw/zinc/65/16/58/950651658.db2.gz YDGQNIQKTHPUSH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)on1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575001999 950651674 /nfs/dbraw/zinc/65/16/74/950651674.db2.gz YDGQNIQKTHPUSH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575623526 950652573 /nfs/dbraw/zinc/65/25/73/950652573.db2.gz BSMGGSWLKYVXFZ-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575623526 950652586 /nfs/dbraw/zinc/65/25/86/950652586.db2.gz BSMGGSWLKYVXFZ-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)no1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575002288 950653264 /nfs/dbraw/zinc/65/32/64/950653264.db2.gz RCFILGFCORIWHB-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)no1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575002288 950653271 /nfs/dbraw/zinc/65/32/71/950653271.db2.gz RCFILGFCORIWHB-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574518702 950654034 /nfs/dbraw/zinc/65/40/34/950654034.db2.gz PWDVMXLONKGOSK-WCFLWFBJSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574518702 950654042 /nfs/dbraw/zinc/65/40/42/950654042.db2.gz PWDVMXLONKGOSK-WCFLWFBJSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575002191 950655534 /nfs/dbraw/zinc/65/55/34/950655534.db2.gz ZYQVMKAKMFKSNB-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575002191 950655547 /nfs/dbraw/zinc/65/55/47/950655547.db2.gz ZYQVMKAKMFKSNB-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccn1 ZINC001574518945 950662862 /nfs/dbraw/zinc/66/28/62/950662862.db2.gz SCIBUYCKVDTBDE-CVGURMSBSA-N -1 3 379.428 0.660 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccn1 ZINC001574518945 950662876 /nfs/dbraw/zinc/66/28/76/950662876.db2.gz SCIBUYCKVDTBDE-CVGURMSBSA-N -1 3 379.428 0.660 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574760328 950664822 /nfs/dbraw/zinc/66/48/22/950664822.db2.gz IQQWVTDSTKYLAC-SNVBAGLBSA-N -1 3 388.407 0.616 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574760328 950664828 /nfs/dbraw/zinc/66/48/28/950664828.db2.gz IQQWVTDSTKYLAC-SNVBAGLBSA-N -1 3 388.407 0.616 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001574519017 950668577 /nfs/dbraw/zinc/66/85/77/950668577.db2.gz SGEJVQPBJJMRMH-OPQSFPLASA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001574519017 950668593 /nfs/dbraw/zinc/66/85/93/950668593.db2.gz SGEJVQPBJJMRMH-OPQSFPLASA-N -1 3 387.444 0.777 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574176090 950670067 /nfs/dbraw/zinc/67/00/67/950670067.db2.gz UGWLSINUBBTVLO-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574176090 950670074 /nfs/dbraw/zinc/67/00/74/950670074.db2.gz UGWLSINUBBTVLO-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574176091 950672308 /nfs/dbraw/zinc/67/23/08/950672308.db2.gz UGWLSINUBBTVLO-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574176091 950672326 /nfs/dbraw/zinc/67/23/26/950672326.db2.gz UGWLSINUBBTVLO-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574176425 950674343 /nfs/dbraw/zinc/67/43/43/950674343.db2.gz VUXNQELCSUYZDI-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574176425 950674349 /nfs/dbraw/zinc/67/43/49/950674349.db2.gz VUXNQELCSUYZDI-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576214833 950683926 /nfs/dbraw/zinc/68/39/26/950683926.db2.gz CMLZJNTUYUJJQK-YMTOWFKASA-N -1 3 383.416 0.130 20 0 GCADHM C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3ncccc3-c3nnn[n-]3)c2C1 ZINC001576214851 950684494 /nfs/dbraw/zinc/68/44/94/950684494.db2.gz CWLWRQWVFOZRHH-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3ncccc3-c3nn[n-]n3)c2C1 ZINC001576214851 950684505 /nfs/dbraw/zinc/68/45/05/950684505.db2.gz CWLWRQWVFOZRHH-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cscn1)C1CC1 ZINC001575005573 950687726 /nfs/dbraw/zinc/68/77/26/950687726.db2.gz HWXBCNWAIAJDOD-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cscn1)C1CC1 ZINC001575005573 950687746 /nfs/dbraw/zinc/68/77/46/950687746.db2.gz HWXBCNWAIAJDOD-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573877826 950695309 /nfs/dbraw/zinc/69/53/09/950695309.db2.gz HPYMRVPHIKKLRJ-VXGBXAGGSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573877826 950695330 /nfs/dbraw/zinc/69/53/30/950695330.db2.gz HPYMRVPHIKKLRJ-VXGBXAGGSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575005750 950701527 /nfs/dbraw/zinc/70/15/27/950701527.db2.gz MRCMPJQDKSOEEX-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cn1cccn1)C1CC1 ZINC001575005750 950701541 /nfs/dbraw/zinc/70/15/41/950701541.db2.gz MRCMPJQDKSOEEX-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001574179373 950706272 /nfs/dbraw/zinc/70/62/72/950706272.db2.gz IGGTVKQUXVQJCP-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001574179373 950706286 /nfs/dbraw/zinc/70/62/86/950706286.db2.gz IGGTVKQUXVQJCP-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575005863 950708007 /nfs/dbraw/zinc/70/80/07/950708007.db2.gz OVNKWDQFWMDIIC-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575005863 950708027 /nfs/dbraw/zinc/70/80/27/950708027.db2.gz OVNKWDQFWMDIIC-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574762557 950709712 /nfs/dbraw/zinc/70/97/12/950709712.db2.gz YXVJWMVRNXCUMC-MRVPVSSYSA-N -1 3 375.368 0.413 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1 ZINC001574179668 950710051 /nfs/dbraw/zinc/71/00/51/950710051.db2.gz JJMQWAQGLMYYFP-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1 ZINC001574179668 950710066 /nfs/dbraw/zinc/71/00/66/950710066.db2.gz JJMQWAQGLMYYFP-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)[nH]n1 ZINC001573879423 950724356 /nfs/dbraw/zinc/72/43/56/950724356.db2.gz BNXWEVCXCNSXRE-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)[nH]n1 ZINC001573879423 950724365 /nfs/dbraw/zinc/72/43/65/950724365.db2.gz BNXWEVCXCNSXRE-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574520493 950733006 /nfs/dbraw/zinc/73/30/06/950733006.db2.gz TTXHFXUJANVUAM-DGCLKSJQSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574520493 950733021 /nfs/dbraw/zinc/73/30/21/950733021.db2.gz TTXHFXUJANVUAM-DGCLKSJQSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574520492 950733156 /nfs/dbraw/zinc/73/31/56/950733156.db2.gz TTXHFXUJANVUAM-AAEUAGOBSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574520492 950733170 /nfs/dbraw/zinc/73/31/70/950733170.db2.gz TTXHFXUJANVUAM-AAEUAGOBSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1n[nH]c2c1CCC2 ZINC001575007872 950733176 /nfs/dbraw/zinc/73/31/76/950733176.db2.gz ANZGSHQTRSPSHO-SECBINFHSA-N -1 3 383.416 0.203 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)no1 ZINC001573879937 950735457 /nfs/dbraw/zinc/73/54/57/950735457.db2.gz PGHBLGCHNICVNX-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)no1 ZINC001573879937 950735470 /nfs/dbraw/zinc/73/54/70/950735470.db2.gz PGHBLGCHNICVNX-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)no1 ZINC001573879938 950735721 /nfs/dbraw/zinc/73/57/21/950735721.db2.gz PGHBLGCHNICVNX-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)no1 ZINC001573879938 950735738 /nfs/dbraw/zinc/73/57/38/950735738.db2.gz PGHBLGCHNICVNX-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM CC1CCN(CC(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576216461 950737441 /nfs/dbraw/zinc/73/74/41/950737441.db2.gz ZMHKGWJHXIOMPU-HDJSIYSDSA-N -1 3 385.476 0.117 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)[nH]n1 ZINC001573879915 950737643 /nfs/dbraw/zinc/73/76/43/950737643.db2.gz OOMWNBBKCUTVSV-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)[nH]n1 ZINC001573879915 950737650 /nfs/dbraw/zinc/73/76/50/950737650.db2.gz OOMWNBBKCUTVSV-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574181048 950739433 /nfs/dbraw/zinc/73/94/33/950739433.db2.gz JGLGJSDLYAYMAJ-NSHDSACASA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574181048 950739446 /nfs/dbraw/zinc/73/94/46/950739446.db2.gz JGLGJSDLYAYMAJ-NSHDSACASA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)(C)c1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)[nH]n1 ZINC001573880076 950740539 /nfs/dbraw/zinc/74/05/39/950740539.db2.gz RAWVEUISJCXDSJ-UHFFFAOYSA-N -1 3 382.432 0.640 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574181981 950752659 /nfs/dbraw/zinc/75/26/59/950752659.db2.gz RDOJEZZTKSFQCK-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574181981 950752670 /nfs/dbraw/zinc/75/26/70/950752670.db2.gz RDOJEZZTKSFQCK-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(N2CC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC001573881474 950754853 /nfs/dbraw/zinc/75/48/53/950754853.db2.gz FDSJTBMMGQWYPV-NSHDSACASA-N -1 3 379.490 0.935 20 0 GCADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CC[C@@H](CNS(C)(=O)=O)C2)n1 ZINC001573881474 950754862 /nfs/dbraw/zinc/75/48/62/950754862.db2.gz FDSJTBMMGQWYPV-NSHDSACASA-N -1 3 379.490 0.935 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001575008792 950756866 /nfs/dbraw/zinc/75/68/66/950756866.db2.gz IHMRBZPNGJTNLX-NEPJUHHUSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001575008792 950756877 /nfs/dbraw/zinc/75/68/77/950756877.db2.gz IHMRBZPNGJTNLX-NEPJUHHUSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCCn1cccn1 ZINC001575008817 950757163 /nfs/dbraw/zinc/75/71/63/950757163.db2.gz IOKYYKXUINWMEX-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCCn1cccn1 ZINC001575008817 950757172 /nfs/dbraw/zinc/75/71/72/950757172.db2.gz IOKYYKXUINWMEX-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1nccn1C ZINC001575927865 950759268 /nfs/dbraw/zinc/75/92/68/950759268.db2.gz VKGFCTVGTZBDTA-NEPJUHHUSA-N -1 3 382.432 0.424 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001574182484 950761649 /nfs/dbraw/zinc/76/16/49/950761649.db2.gz WRQTXODHNKZWMQ-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001574182484 950761669 /nfs/dbraw/zinc/76/16/69/950761669.db2.gz WRQTXODHNKZWMQ-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cncnc1 ZINC001574520997 950762349 /nfs/dbraw/zinc/76/23/49/950762349.db2.gz CDNATZCIEKJFSY-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cncnc1 ZINC001574520997 950762366 /nfs/dbraw/zinc/76/23/66/950762366.db2.gz CDNATZCIEKJFSY-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H](C)OCC1CC1 ZINC001575008992 950766601 /nfs/dbraw/zinc/76/66/01/950766601.db2.gz LRVQNYICWROWFY-QWRGUYRKSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H](C)OCC1CC1 ZINC001575008992 950766608 /nfs/dbraw/zinc/76/66/08/950766608.db2.gz LRVQNYICWROWFY-QWRGUYRKSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574764942 950766757 /nfs/dbraw/zinc/76/67/57/950766757.db2.gz AJLNOMOXEXLRFJ-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574764942 950766767 /nfs/dbraw/zinc/76/67/67/950766767.db2.gz AJLNOMOXEXLRFJ-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576217755 950769517 /nfs/dbraw/zinc/76/95/17/950769517.db2.gz JAJRRRMJVKHCOD-VXGBXAGGSA-N -1 3 384.444 0.424 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576217755 950769530 /nfs/dbraw/zinc/76/95/30/950769530.db2.gz JAJRRRMJVKHCOD-VXGBXAGGSA-N -1 3 384.444 0.424 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574521357 950774673 /nfs/dbraw/zinc/77/46/73/950774673.db2.gz FPXLLJFIGUSJNE-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574521357 950774688 /nfs/dbraw/zinc/77/46/88/950774688.db2.gz FPXLLJFIGUSJNE-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001576217960 950776974 /nfs/dbraw/zinc/77/69/74/950776974.db2.gz PPIZNGZBQWKUIB-IAQYHMDHSA-N -1 3 381.444 0.903 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001576217960 950776987 /nfs/dbraw/zinc/77/69/87/950776987.db2.gz PPIZNGZBQWKUIB-IAQYHMDHSA-N -1 3 381.444 0.903 20 0 GCADHM C[C@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574765175 950777696 /nfs/dbraw/zinc/77/76/96/950777696.db2.gz GKIOKYCVHAYBDI-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765175 950777706 /nfs/dbraw/zinc/77/77/06/950777706.db2.gz GKIOKYCVHAYBDI-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573884074 950781449 /nfs/dbraw/zinc/78/14/49/950781449.db2.gz GRFGIOADWPANAP-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573884074 950781459 /nfs/dbraw/zinc/78/14/59/950781459.db2.gz GRFGIOADWPANAP-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)[C@H](C)NC(=O)CN(C)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765258 950781622 /nfs/dbraw/zinc/78/16/22/950781622.db2.gz AVNSWFICYWOGOW-NEPJUHHUSA-N -1 3 376.465 0.406 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573884151 950785043 /nfs/dbraw/zinc/78/50/43/950785043.db2.gz AGOVPLHSHQCCNC-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573884151 950785061 /nfs/dbraw/zinc/78/50/61/950785061.db2.gz AGOVPLHSHQCCNC-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)c1ccnn1C ZINC001575009537 950786588 /nfs/dbraw/zinc/78/65/88/950786588.db2.gz UUUFLJPACFUAIA-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001573884133 950786572 /nfs/dbraw/zinc/78/65/72/950786572.db2.gz JRENKFSILIJVTC-CHWSQXEVSA-N -1 3 397.443 0.262 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001573884133 950786584 /nfs/dbraw/zinc/78/65/84/950786584.db2.gz JRENKFSILIJVTC-CHWSQXEVSA-N -1 3 397.443 0.262 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)c1ccnn1C ZINC001575009537 950786602 /nfs/dbraw/zinc/78/66/02/950786602.db2.gz UUUFLJPACFUAIA-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)c1ccnn1C ZINC001575009370 950787501 /nfs/dbraw/zinc/78/75/01/950787501.db2.gz UUUFLJPACFUAIA-MNOVXSKESA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)c1ccnn1C ZINC001575009370 950787531 /nfs/dbraw/zinc/78/75/31/950787531.db2.gz UUUFLJPACFUAIA-MNOVXSKESA-N -1 3 385.432 0.214 20 0 GCADHM CC1(C)C[C@@](C)(NCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C(=O)O1 ZINC001575632087 950787885 /nfs/dbraw/zinc/78/78/85/950787885.db2.gz ZSIQZDOWRGKVEJ-OAHLLOKOSA-N -1 3 380.430 0.109 20 0 GCADHM CC1(C)C[C@@](C)(NCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C(=O)O1 ZINC001575632087 950787897 /nfs/dbraw/zinc/78/78/97/950787897.db2.gz ZSIQZDOWRGKVEJ-OAHLLOKOSA-N -1 3 380.430 0.109 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)C1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574522140 950787869 /nfs/dbraw/zinc/78/78/69/950787869.db2.gz IRHPDABPZDQECK-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)C1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574522140 950787882 /nfs/dbraw/zinc/78/78/82/950787882.db2.gz IRHPDABPZDQECK-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575009339 950787976 /nfs/dbraw/zinc/78/79/76/950787976.db2.gz UFEKQBQGOGDXEK-RYUDHWBXSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001575009339 950787991 /nfs/dbraw/zinc/78/79/91/950787991.db2.gz UFEKQBQGOGDXEK-RYUDHWBXSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)c1cccnc1 ZINC001575009606 950792096 /nfs/dbraw/zinc/79/20/96/950792096.db2.gz VJMKFVVLQKKYTP-RYUDHWBXSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)c1cccnc1 ZINC001575009606 950792116 /nfs/dbraw/zinc/79/21/16/950792116.db2.gz VJMKFVVLQKKYTP-RYUDHWBXSA-N -1 3 382.428 0.876 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575632269 950795584 /nfs/dbraw/zinc/79/55/84/950795584.db2.gz FVOYIQXVRXRWDR-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575632269 950795599 /nfs/dbraw/zinc/79/55/99/950795599.db2.gz FVOYIQXVRXRWDR-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573884343 950796583 /nfs/dbraw/zinc/79/65/83/950796583.db2.gz DDNSTPSPDNACQV-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573884343 950796598 /nfs/dbraw/zinc/79/65/98/950796598.db2.gz DDNSTPSPDNACQV-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC1(C)CC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575632275 950797449 /nfs/dbraw/zinc/79/74/49/950797449.db2.gz FZIBALZRTXJLRN-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575632275 950797467 /nfs/dbraw/zinc/79/74/67/950797467.db2.gz FZIBALZRTXJLRN-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575930580 950797484 /nfs/dbraw/zinc/79/74/84/950797484.db2.gz FLCYQRRWOGPNSI-QPUJVOFHSA-N -1 3 385.363 0.612 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575930580 950797505 /nfs/dbraw/zinc/79/75/05/950797505.db2.gz FLCYQRRWOGPNSI-QPUJVOFHSA-N -1 3 385.363 0.612 20 0 GCADHM CC(C)(C)c1nc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001573884667 950799125 /nfs/dbraw/zinc/79/91/25/950799125.db2.gz IEHDRFQIKISUGR-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001573884667 950799133 /nfs/dbraw/zinc/79/91/33/950799133.db2.gz IEHDRFQIKISUGR-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575931158 950800531 /nfs/dbraw/zinc/80/05/31/950800531.db2.gz HEAFSKZPYTZKGL-KWQFWETISA-N -1 3 385.363 0.612 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575931158 950800550 /nfs/dbraw/zinc/80/05/50/950800550.db2.gz HEAFSKZPYTZKGL-KWQFWETISA-N -1 3 385.363 0.612 20 0 GCADHM CC(C)CCCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574186267 950801254 /nfs/dbraw/zinc/80/12/54/950801254.db2.gz AXSCSNSFHSJDNM-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574186267 950801268 /nfs/dbraw/zinc/80/12/68/950801268.db2.gz AXSCSNSFHSJDNM-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1ccncc1 ZINC001575009928 950801719 /nfs/dbraw/zinc/80/17/19/950801719.db2.gz YTUUBBWWFFXWPZ-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1ccncc1 ZINC001575009928 950801743 /nfs/dbraw/zinc/80/17/43/950801743.db2.gz YTUUBBWWFFXWPZ-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM CC(C)(C)c1noc(CN[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573884959 950804088 /nfs/dbraw/zinc/80/40/88/950804088.db2.gz KTQNOZCYMSDHRV-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573884959 950804116 /nfs/dbraw/zinc/80/41/16/950804116.db2.gz KTQNOZCYMSDHRV-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nccc(NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001573884722 950806783 /nfs/dbraw/zinc/80/67/83/950806783.db2.gz JYUGPRCLKSWNBQ-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nccc(NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001573884722 950806803 /nfs/dbraw/zinc/80/68/03/950806803.db2.gz JYUGPRCLKSWNBQ-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccn(C)n1 ZINC001574523174 950810248 /nfs/dbraw/zinc/81/02/48/950810248.db2.gz MPQCNVABQSQKNS-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccn(C)n1 ZINC001574523174 950810265 /nfs/dbraw/zinc/81/02/65/950810265.db2.gz MPQCNVABQSQKNS-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nnn[n-]2)co1 ZINC001573885115 950814281 /nfs/dbraw/zinc/81/42/81/950814281.db2.gz PKPVRHBZLWRFOC-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)co1 ZINC001573885115 950814306 /nfs/dbraw/zinc/81/43/06/950814306.db2.gz PKPVRHBZLWRFOC-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)CCCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574186541 950818350 /nfs/dbraw/zinc/81/83/50/950818350.db2.gz HAWCPIGAQLHAFZ-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574186541 950818378 /nfs/dbraw/zinc/81/83/78/950818378.db2.gz HAWCPIGAQLHAFZ-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574186710 950819479 /nfs/dbraw/zinc/81/94/79/950819479.db2.gz JFCSJSJTEKXAQH-ZIAGYGMSSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574186710 950819498 /nfs/dbraw/zinc/81/94/98/950819498.db2.gz JFCSJSJTEKXAQH-ZIAGYGMSSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575010371 950820398 /nfs/dbraw/zinc/82/03/98/950820398.db2.gz FDJVHMAAHBEYCK-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575010371 950820420 /nfs/dbraw/zinc/82/04/20/950820420.db2.gz FDJVHMAAHBEYCK-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CN(C)CC(=O)NC1CCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574766320 950820592 /nfs/dbraw/zinc/82/05/92/950820592.db2.gz IFKVGSBRCNXEFG-GFCCVEGCSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1csnn1 ZINC001575932218 950824681 /nfs/dbraw/zinc/82/46/81/950824681.db2.gz KQQGQXHKVVMCMS-XCBNKYQSSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1csnn1 ZINC001575932218 950824701 /nfs/dbraw/zinc/82/47/01/950824701.db2.gz KQQGQXHKVVMCMS-XCBNKYQSSA-N -1 3 375.393 0.967 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001573885528 950831922 /nfs/dbraw/zinc/83/19/22/950831922.db2.gz TVAGOSAIFCKSOH-CHWSQXEVSA-N -1 3 397.443 0.262 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001573885528 950831952 /nfs/dbraw/zinc/83/19/52/950831952.db2.gz TVAGOSAIFCKSOH-CHWSQXEVSA-N -1 3 397.443 0.262 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574187776 950831789 /nfs/dbraw/zinc/83/17/89/950831789.db2.gz QBGYATNZPBOGIY-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574187776 950831812 /nfs/dbraw/zinc/83/18/12/950831812.db2.gz QBGYATNZPBOGIY-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)c1cnc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001573885572 950832684 /nfs/dbraw/zinc/83/26/84/950832684.db2.gz ZYMSJBJVCJDATC-LLVKDONJSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574187434 950835003 /nfs/dbraw/zinc/83/50/03/950835003.db2.gz PKTUPBYRQFKDHL-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574187434 950835014 /nfs/dbraw/zinc/83/50/14/950835014.db2.gz PKTUPBYRQFKDHL-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573885983 950836594 /nfs/dbraw/zinc/83/65/94/950836594.db2.gz ZQDYTQNWIZITLR-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573885983 950836615 /nfs/dbraw/zinc/83/66/15/950836615.db2.gz ZQDYTQNWIZITLR-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574187799 950837050 /nfs/dbraw/zinc/83/70/50/950837050.db2.gz QHXFSCPQNOSZDN-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574187799 950837073 /nfs/dbraw/zinc/83/70/73/950837073.db2.gz QHXFSCPQNOSZDN-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)co1 ZINC001573885993 950837599 /nfs/dbraw/zinc/83/75/99/950837599.db2.gz ZSQFUJNZGWKIBM-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)co1 ZINC001573885993 950837611 /nfs/dbraw/zinc/83/76/11/950837611.db2.gz ZSQFUJNZGWKIBM-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccon1 ZINC001574523897 950838752 /nfs/dbraw/zinc/83/87/52/950838752.db2.gz RXQBZGBVFNSDML-MNOVXSKESA-N -1 3 386.416 0.829 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccon1 ZINC001574523897 950838774 /nfs/dbraw/zinc/83/87/74/950838774.db2.gz RXQBZGBVFNSDML-MNOVXSKESA-N -1 3 386.416 0.829 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nc(C(F)F)no1 ZINC001575010862 950839802 /nfs/dbraw/zinc/83/98/02/950839802.db2.gz KGIDQXUFJBRZEA-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nc(C(F)F)no1 ZINC001575010862 950839828 /nfs/dbraw/zinc/83/98/28/950839828.db2.gz KGIDQXUFJBRZEA-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574767192 950841286 /nfs/dbraw/zinc/84/12/86/950841286.db2.gz NALPDTXYSIOPHI-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767192 950841309 /nfs/dbraw/zinc/84/13/09/950841309.db2.gz NALPDTXYSIOPHI-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574188179 950845781 /nfs/dbraw/zinc/84/57/81/950845781.db2.gz SKGAQUCWBBTFSF-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574188179 950845797 /nfs/dbraw/zinc/84/57/97/950845797.db2.gz SKGAQUCWBBTFSF-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767341 950847125 /nfs/dbraw/zinc/84/71/25/950847125.db2.gz QRAWALHBXYRKOM-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](CN(C)C(=O)c1csc(=O)[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767341 950847136 /nfs/dbraw/zinc/84/71/36/950847136.db2.gz QRAWALHBXYRKOM-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767342 950849106 /nfs/dbraw/zinc/84/91/06/950849106.db2.gz QRAWALHBXYRKOM-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767342 950849126 /nfs/dbraw/zinc/84/91/26/950849126.db2.gz QRAWALHBXYRKOM-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCn1ccnc1 ZINC001574524277 950853473 /nfs/dbraw/zinc/85/34/73/950853473.db2.gz VBOKLDMANUQMOU-VXGBXAGGSA-N -1 3 385.432 0.495 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001574188637 950853949 /nfs/dbraw/zinc/85/39/49/950853949.db2.gz YBULJXZATHDBTA-HIFRSBDPSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001574188637 950853974 /nfs/dbraw/zinc/85/39/74/950853974.db2.gz YBULJXZATHDBTA-HIFRSBDPSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCC(=O)N=S(C)(C)=O ZINC001573887716 950855305 /nfs/dbraw/zinc/85/53/05/950855305.db2.gz JULTWHFRHVELEH-UHFFFAOYSA-N -1 3 382.450 0.799 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCC(=O)N=S(C)(C)=O ZINC001573887716 950855328 /nfs/dbraw/zinc/85/53/28/950855328.db2.gz JULTWHFRHVELEH-UHFFFAOYSA-N -1 3 382.450 0.799 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1ccn(C)n1 ZINC001575934455 950854992 /nfs/dbraw/zinc/85/49/92/950854992.db2.gz RKLXFGOUAFJSGI-YGRLFVJLSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1ccn(C)n1 ZINC001575934455 950855019 /nfs/dbraw/zinc/85/50/19/950855019.db2.gz RKLXFGOUAFJSGI-YGRLFVJLSA-N -1 3 385.407 0.778 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001574189065 950859224 /nfs/dbraw/zinc/85/92/24/950859224.db2.gz BBUNEPOSTFFUKA-ZFWWWQNUSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001574189065 950859244 /nfs/dbraw/zinc/85/92/44/950859244.db2.gz BBUNEPOSTFFUKA-ZFWWWQNUSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573888148 950859464 /nfs/dbraw/zinc/85/94/64/950859464.db2.gz PGAIGHGWOCBAPN-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573888148 950859484 /nfs/dbraw/zinc/85/94/84/950859484.db2.gz PGAIGHGWOCBAPN-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001573893332 950875982 /nfs/dbraw/zinc/87/59/82/950875982.db2.gz AHDVSURUIZNURU-NSHDSACASA-N -1 3 383.420 0.330 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001573893332 950875999 /nfs/dbraw/zinc/87/59/99/950875999.db2.gz AHDVSURUIZNURU-NSHDSACASA-N -1 3 383.420 0.330 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1cc2n(n1)CCCC2 ZINC001575012090 950877209 /nfs/dbraw/zinc/87/72/09/950877209.db2.gz WDRUBNBTBXBMHI-LBPRGKRZSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1cc2n(n1)CCCC2 ZINC001575012090 950877223 /nfs/dbraw/zinc/87/72/23/950877223.db2.gz WDRUBNBTBXBMHI-LBPRGKRZSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575935413 950877981 /nfs/dbraw/zinc/87/79/81/950877981.db2.gz WCYBEUXFFVEKGX-GXTWGEPZSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575935413 950878001 /nfs/dbraw/zinc/87/80/01/950878001.db2.gz WCYBEUXFFVEKGX-GXTWGEPZSA-N -1 3 386.460 0.922 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575012149 950879128 /nfs/dbraw/zinc/87/91/28/950879128.db2.gz XHGCEADPXJSQQZ-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575012149 950879142 /nfs/dbraw/zinc/87/91/42/950879142.db2.gz XHGCEADPXJSQQZ-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)[C@H](C)c1nnnn1C1CC1 ZINC001575012353 950881825 /nfs/dbraw/zinc/88/18/25/950881825.db2.gz YZBRRFROAIYPHR-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)[C@H](C)c1nnnn1C1CC1 ZINC001575012353 950881851 /nfs/dbraw/zinc/88/18/51/950881851.db2.gz YZBRRFROAIYPHR-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575935556 950883485 /nfs/dbraw/zinc/88/34/85/950883485.db2.gz XXAPDYYVVCMYTM-KWQFWETISA-N -1 3 385.363 0.199 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575935556 950883504 /nfs/dbraw/zinc/88/35/04/950883504.db2.gz XXAPDYYVVCMYTM-KWQFWETISA-N -1 3 385.363 0.199 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893469 950883846 /nfs/dbraw/zinc/88/38/46/950883846.db2.gz HOWWYPYWRYQLOC-LLVKDONJSA-N -1 3 383.420 0.012 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893469 950883864 /nfs/dbraw/zinc/88/38/64/950883864.db2.gz HOWWYPYWRYQLOC-LLVKDONJSA-N -1 3 383.420 0.012 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893438 950884130 /nfs/dbraw/zinc/88/41/30/950884130.db2.gz FZRYEOCIUNUNIY-LLVKDONJSA-N -1 3 383.420 0.330 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893438 950884145 /nfs/dbraw/zinc/88/41/45/950884145.db2.gz FZRYEOCIUNUNIY-LLVKDONJSA-N -1 3 383.420 0.330 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575012339 950884193 /nfs/dbraw/zinc/88/41/93/950884193.db2.gz YTASATCRCUHUBE-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575012339 950884206 /nfs/dbraw/zinc/88/42/06/950884206.db2.gz YTASATCRCUHUBE-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575935553 950884179 /nfs/dbraw/zinc/88/41/79/950884179.db2.gz XXAPDYYVVCMYTM-GZMMTYOYSA-N -1 3 385.363 0.199 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575935553 950884190 /nfs/dbraw/zinc/88/41/90/950884190.db2.gz XXAPDYYVVCMYTM-GZMMTYOYSA-N -1 3 385.363 0.199 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893439 950884522 /nfs/dbraw/zinc/88/45/22/950884522.db2.gz FZRYEOCIUNUNIY-NSHDSACASA-N -1 3 383.420 0.330 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893439 950884542 /nfs/dbraw/zinc/88/45/42/950884542.db2.gz FZRYEOCIUNUNIY-NSHDSACASA-N -1 3 383.420 0.330 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001573893495 950886001 /nfs/dbraw/zinc/88/60/01/950886001.db2.gz IGYOVVKXVUBNMG-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001573893495 950886018 /nfs/dbraw/zinc/88/60/18/950886018.db2.gz IGYOVVKXVUBNMG-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574768291 950886218 /nfs/dbraw/zinc/88/62/18/950886218.db2.gz TVPVELJUBSIPJU-JTQLQIEISA-N -1 3 385.436 0.576 20 0 GCADHM C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574768291 950886235 /nfs/dbraw/zinc/88/62/35/950886235.db2.gz TVPVELJUBSIPJU-JTQLQIEISA-N -1 3 385.436 0.576 20 0 GCADHM C[C@H]1CN(C(=O)C2(CF)CCC2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576226757 950887108 /nfs/dbraw/zinc/88/71/08/950887108.db2.gz ANQDBYYSUMLCMI-GWCFXTLKSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H]1CN(C(=O)C2(CF)CCC2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576226757 950887127 /nfs/dbraw/zinc/88/71/27/950887127.db2.gz ANQDBYYSUMLCMI-GWCFXTLKSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573893570 950888317 /nfs/dbraw/zinc/88/83/17/950888317.db2.gz LINQVWFRHSTAQH-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573893570 950888335 /nfs/dbraw/zinc/88/83/35/950888335.db2.gz LINQVWFRHSTAQH-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cccc2nccnc21 ZINC001575013594 950888786 /nfs/dbraw/zinc/88/87/86/950888786.db2.gz AOEVYCGUEOQGFD-SNVBAGLBSA-N -1 3 391.395 0.686 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cccc2nccnc21 ZINC001575013594 950888805 /nfs/dbraw/zinc/88/88/05/950888805.db2.gz AOEVYCGUEOQGFD-SNVBAGLBSA-N -1 3 391.395 0.686 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575935710 950892468 /nfs/dbraw/zinc/89/24/68/950892468.db2.gz AORHFHFFYZNTDG-FZMZJTMJSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575935710 950892483 /nfs/dbraw/zinc/89/24/83/950892483.db2.gz AORHFHFFYZNTDG-FZMZJTMJSA-N -1 3 382.432 0.424 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)n1 ZINC001573893640 950892956 /nfs/dbraw/zinc/89/29/56/950892956.db2.gz OPEYMXBKVJXYFT-JTQLQIEISA-N -1 3 383.420 0.012 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)n1 ZINC001573893640 950892970 /nfs/dbraw/zinc/89/29/70/950892970.db2.gz OPEYMXBKVJXYFT-JTQLQIEISA-N -1 3 383.420 0.012 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575935743 950893534 /nfs/dbraw/zinc/89/35/34/950893534.db2.gz AXHVPMBWBGUGCL-PWSUYJOCSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575935743 950893549 /nfs/dbraw/zinc/89/35/49/950893549.db2.gz AXHVPMBWBGUGCL-PWSUYJOCSA-N -1 3 381.400 0.071 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573893631 950894172 /nfs/dbraw/zinc/89/41/72/950894172.db2.gz OARRMRCNIIVIAD-NSHDSACASA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573893631 950894183 /nfs/dbraw/zinc/89/41/83/950894183.db2.gz OARRMRCNIIVIAD-NSHDSACASA-N -1 3 384.448 0.546 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575935866 950895646 /nfs/dbraw/zinc/89/56/46/950895646.db2.gz BKXINPISEAAKFZ-JQWIXIFHSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575935866 950895655 /nfs/dbraw/zinc/89/56/55/950895655.db2.gz BKXINPISEAAKFZ-JQWIXIFHSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576226914 950897349 /nfs/dbraw/zinc/89/73/49/950897349.db2.gz DCRFODNWYGYKMZ-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)CC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576226914 950897368 /nfs/dbraw/zinc/89/73/68/950897368.db2.gz DCRFODNWYGYKMZ-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001575014936 950913135 /nfs/dbraw/zinc/91/31/35/950913135.db2.gz JUOLDBTXGKCMNO-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001575014936 950913154 /nfs/dbraw/zinc/91/31/54/950913154.db2.gz JUOLDBTXGKCMNO-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001573893978 950913974 /nfs/dbraw/zinc/91/39/74/950913974.db2.gz HCCMXGSMQJWKNQ-UHFFFAOYSA-N -1 3 382.432 0.571 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC001573893978 950913990 /nfs/dbraw/zinc/91/39/90/950913990.db2.gz HCCMXGSMQJWKNQ-UHFFFAOYSA-N -1 3 382.432 0.571 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573893976 950914564 /nfs/dbraw/zinc/91/45/64/950914564.db2.gz HAJMNTJZJFPFOW-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573893976 950914580 /nfs/dbraw/zinc/91/45/80/950914580.db2.gz HAJMNTJZJFPFOW-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]n1 ZINC001575936520 950917038 /nfs/dbraw/zinc/91/70/38/950917038.db2.gz GBZDGHHTDMQEDR-WDSKDSINSA-N -1 3 380.825 0.810 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001590347436 950917610 /nfs/dbraw/zinc/91/76/10/950917610.db2.gz SZMAKHILCNAZSK-JOYOIKCWSA-N -1 3 391.364 0.623 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001573894025 950918707 /nfs/dbraw/zinc/91/87/07/950918707.db2.gz JCRDIOSGXCJDMU-LBPRGKRZSA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001573894025 950918722 /nfs/dbraw/zinc/91/87/22/950918722.db2.gz JCRDIOSGXCJDMU-LBPRGKRZSA-N -1 3 382.432 0.617 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1Cc2ccccc2C1 ZINC001575015013 950919518 /nfs/dbraw/zinc/91/95/18/950919518.db2.gz LNLWRKOVMMXAEW-NSHDSACASA-N -1 3 379.424 0.844 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1Cc2ccccc2C1 ZINC001575015013 950919537 /nfs/dbraw/zinc/91/95/37/950919537.db2.gz LNLWRKOVMMXAEW-NSHDSACASA-N -1 3 379.424 0.844 20 0 GCADHM CC(C)(C)n1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)n1 ZINC001573894106 950923069 /nfs/dbraw/zinc/92/30/69/950923069.db2.gz MBDPIWYSZOQQJF-ZIAGYGMSSA-N -1 3 397.443 0.193 20 0 GCADHM CC(C)(C)n1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)n1 ZINC001573894106 950923085 /nfs/dbraw/zinc/92/30/85/950923085.db2.gz MBDPIWYSZOQQJF-ZIAGYGMSSA-N -1 3 397.443 0.193 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NCCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573894124 950924225 /nfs/dbraw/zinc/92/42/25/950924225.db2.gz MVRJJDYVYDKKCO-UHFFFAOYSA-N -1 3 385.432 0.696 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NCCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573894124 950924239 /nfs/dbraw/zinc/92/42/39/950924239.db2.gz MVRJJDYVYDKKCO-UHFFFAOYSA-N -1 3 385.432 0.696 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001575015180 950924126 /nfs/dbraw/zinc/92/41/26/950924126.db2.gz NJTACZYBJNHREF-NEPJUHHUSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001575015180 950924143 /nfs/dbraw/zinc/92/41/43/950924143.db2.gz NJTACZYBJNHREF-NEPJUHHUSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001575015181 950924306 /nfs/dbraw/zinc/92/43/06/950924306.db2.gz NJTACZYBJNHREF-NWDGAFQWSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001575015181 950924323 /nfs/dbraw/zinc/92/43/23/950924323.db2.gz NJTACZYBJNHREF-NWDGAFQWSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001573894525 950932731 /nfs/dbraw/zinc/93/27/31/950932731.db2.gz USEDVWAXNOFFKB-ZDUSSCGKSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001573894525 950932750 /nfs/dbraw/zinc/93/27/50/950932750.db2.gz USEDVWAXNOFFKB-ZDUSSCGKSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574528585 950935792 /nfs/dbraw/zinc/93/57/92/950935792.db2.gz NOWVRSWNLBNJRV-NXEZZACHSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574528585 950935804 /nfs/dbraw/zinc/93/58/04/950935804.db2.gz NOWVRSWNLBNJRV-NXEZZACHSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575937148 950935820 /nfs/dbraw/zinc/93/58/20/950935820.db2.gz JJWQGOYWKFVZLK-GXSJLCMTSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575937148 950935840 /nfs/dbraw/zinc/93/58/40/950935840.db2.gz JJWQGOYWKFVZLK-GXSJLCMTSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575937139 950938667 /nfs/dbraw/zinc/93/86/67/950938667.db2.gz CLKNCWUHDVVKRH-VXGBXAGGSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575937139 950938684 /nfs/dbraw/zinc/93/86/84/950938684.db2.gz CLKNCWUHDVVKRH-VXGBXAGGSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575937174 950940829 /nfs/dbraw/zinc/94/08/29/950940829.db2.gz JKUVIXLZKVPSRR-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575937174 950940851 /nfs/dbraw/zinc/94/08/51/950940851.db2.gz JKUVIXLZKVPSRR-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCCCO1 ZINC001575015712 950942788 /nfs/dbraw/zinc/94/27/88/950942788.db2.gz VKYRETSJTQMHMK-NEPJUHHUSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCCCO1 ZINC001575015712 950942807 /nfs/dbraw/zinc/94/28/07/950942807.db2.gz VKYRETSJTQMHMK-NEPJUHHUSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCOC1CCOCC1 ZINC001575015744 950944865 /nfs/dbraw/zinc/94/48/65/950944865.db2.gz WCMPPKFLAXPGIY-LLVKDONJSA-N -1 3 391.432 0.015 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCOC1CCOCC1 ZINC001575015744 950944877 /nfs/dbraw/zinc/94/48/77/950944877.db2.gz WCMPPKFLAXPGIY-LLVKDONJSA-N -1 3 391.432 0.015 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575015869 950948441 /nfs/dbraw/zinc/94/84/41/950948441.db2.gz XIYBHXQLKDGPIG-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575015869 950948456 /nfs/dbraw/zinc/94/84/56/950948456.db2.gz XIYBHXQLKDGPIG-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CO1 ZINC001575937563 950950375 /nfs/dbraw/zinc/95/03/75/950950375.db2.gz GEKXKTGZNRHIHX-RYUDHWBXSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CO1 ZINC001575937563 950950397 /nfs/dbraw/zinc/95/03/97/950950397.db2.gz GEKXKTGZNRHIHX-RYUDHWBXSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1ncc[nH]1 ZINC001574529842 950958628 /nfs/dbraw/zinc/95/86/28/950958628.db2.gz AQBIOAHSOJTXIL-QWRGUYRKSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1ncc[nH]1 ZINC001574529842 950958644 /nfs/dbraw/zinc/95/86/44/950958644.db2.gz AQBIOAHSOJTXIL-QWRGUYRKSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)CCn1ccnn1 ZINC001574772068 950959527 /nfs/dbraw/zinc/95/95/27/950959527.db2.gz PGSDLXFASAJLLE-LBPRGKRZSA-N -1 3 387.423 0.624 20 0 GCADHM C[C@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)Cc1cnn(C)c1 ZINC001574772326 950964703 /nfs/dbraw/zinc/96/47/03/950964703.db2.gz RLIQNLSNOBFGSD-GFCCVEGCSA-N -1 3 386.435 0.919 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575937984 950966085 /nfs/dbraw/zinc/96/60/85/950966085.db2.gz IBDUYBZAQOCHCP-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575937984 950966107 /nfs/dbraw/zinc/96/61/07/950966107.db2.gz IBDUYBZAQOCHCP-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@@H]1CO[C@@H](C)C1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575938404 950974937 /nfs/dbraw/zinc/97/49/37/950974937.db2.gz KXBUZEMEANAUDA-STQMWFEESA-N -1 3 389.460 0.929 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@@H]1CO[C@@H](C)C1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575938404 950974951 /nfs/dbraw/zinc/97/49/51/950974951.db2.gz KXBUZEMEANAUDA-STQMWFEESA-N -1 3 389.460 0.929 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cncs1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574530237 950975239 /nfs/dbraw/zinc/97/52/39/950975239.db2.gz BBRUCIAQODGQQP-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cncs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530237 950975257 /nfs/dbraw/zinc/97/52/57/950975257.db2.gz BBRUCIAQODGQQP-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CO1 ZINC001575938367 950978288 /nfs/dbraw/zinc/97/82/88/950978288.db2.gz KLOATVCNWLSJKY-DGCLKSJQSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CO1 ZINC001575938367 950978306 /nfs/dbraw/zinc/97/83/06/950978306.db2.gz KLOATVCNWLSJKY-DGCLKSJQSA-N -1 3 375.433 0.540 20 0 GCADHM CC(C)(CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573899478 950978498 /nfs/dbraw/zinc/97/84/98/950978498.db2.gz AAAHDIGCHYJQHN-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573899478 950978518 /nfs/dbraw/zinc/97/85/18/950978518.db2.gz AAAHDIGCHYJQHN-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(CC(F)F)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573899496 950980526 /nfs/dbraw/zinc/98/05/26/950980526.db2.gz AUZNIKQADQCDNC-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(C)(CC(F)F)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573899496 950980543 /nfs/dbraw/zinc/98/05/43/950980543.db2.gz AUZNIKQADQCDNC-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575017192 950983351 /nfs/dbraw/zinc/98/33/51/950983351.db2.gz BSVSWTKTSPGURV-ZETCQYMHSA-N -1 3 389.807 0.573 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575017192 950983364 /nfs/dbraw/zinc/98/33/64/950983364.db2.gz BSVSWTKTSPGURV-ZETCQYMHSA-N -1 3 389.807 0.573 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)Cn1ccccc1=O ZINC001575938504 950986977 /nfs/dbraw/zinc/98/69/77/950986977.db2.gz OLQDDWIUCISWCU-GXTWGEPZSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)Cn1ccccc1=O ZINC001575938504 950986996 /nfs/dbraw/zinc/98/69/96/950986996.db2.gz OLQDDWIUCISWCU-GXTWGEPZSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)C1=COCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530625 950989136 /nfs/dbraw/zinc/98/91/36/950989136.db2.gz CPHJYQNAVCXSIH-ZJUUUORDSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)C1=COCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530625 950989150 /nfs/dbraw/zinc/98/91/50/950989150.db2.gz CPHJYQNAVCXSIH-ZJUUUORDSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1nc2c(s1)CCC2 ZINC001575017350 950990739 /nfs/dbraw/zinc/99/07/39/950990739.db2.gz KBNUUFACOBDAFU-QMMMGPOBSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1nc2c(s1)CCC2 ZINC001575017350 950990746 /nfs/dbraw/zinc/99/07/46/950990746.db2.gz KBNUUFACOBDAFU-QMMMGPOBSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CO1 ZINC001575938662 950992257 /nfs/dbraw/zinc/99/22/57/950992257.db2.gz MMQQDBIXCABRFW-AAEUAGOBSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CO1 ZINC001575938662 950992274 /nfs/dbraw/zinc/99/22/74/950992274.db2.gz MMQQDBIXCABRFW-AAEUAGOBSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cnns1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574530764 950995725 /nfs/dbraw/zinc/99/57/25/950995725.db2.gz WSEFPCWYBXUHAD-SFYZADRCSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cnns1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530764 950995737 /nfs/dbraw/zinc/99/57/37/950995737.db2.gz WSEFPCWYBXUHAD-SFYZADRCSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC001575017556 950998237 /nfs/dbraw/zinc/99/82/37/950998237.db2.gz LGXBFLOEPGAUMQ-OTYXRUKQSA-N -1 3 386.391 0.268 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001575017554 950999305 /nfs/dbraw/zinc/99/93/05/950999305.db2.gz LGXBFLOEPGAUMQ-LKFCYVNXSA-N -1 3 386.391 0.268 20 0 GCADHM C[C@H](CN(C)Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574774065 951000200 /nfs/dbraw/zinc/00/02/00/951000200.db2.gz BTRKIADELXGCGL-DOMZBBRYSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1n[nH]cc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530826 951000719 /nfs/dbraw/zinc/00/07/19/951000719.db2.gz XOPGWQOLOKEFHI-HTQZYQBOSA-N -1 3 375.368 0.384 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CO1 ZINC001575939262 951005082 /nfs/dbraw/zinc/00/50/82/951005082.db2.gz PKIJHZXGCCVFAC-NWDGAFQWSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CO1 ZINC001575939262 951005101 /nfs/dbraw/zinc/00/51/01/951005101.db2.gz PKIJHZXGCCVFAC-NWDGAFQWSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CC1(O)CCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530953 951007116 /nfs/dbraw/zinc/00/71/16/951007116.db2.gz FBAZLZGOVWQQMN-WDEREUQCSA-N -1 3 375.433 0.513 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CC1(O)CCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530953 951007135 /nfs/dbraw/zinc/00/71/35/951007135.db2.gz FBAZLZGOVWQQMN-WDEREUQCSA-N -1 3 375.433 0.513 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)CNc1ncccc1-c1nnn[n-]1 ZINC001575018130 951016180 /nfs/dbraw/zinc/01/61/80/951016180.db2.gz KZMSQNUAVSLRSL-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)CNc1ncccc1-c1nn[n-]n1 ZINC001575018130 951016195 /nfs/dbraw/zinc/01/61/95/951016195.db2.gz KZMSQNUAVSLRSL-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnc2n1CCCCC2 ZINC001575019864 951046825 /nfs/dbraw/zinc/04/68/25/951046825.db2.gz WAFOGFKGYIYEDY-LLVKDONJSA-N -1 3 384.448 0.421 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575021024 951056199 /nfs/dbraw/zinc/05/61/99/951056199.db2.gz ACQGAWKEKVLHIX-ZETCQYMHSA-N -1 3 390.791 0.837 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575021024 951056210 /nfs/dbraw/zinc/05/62/10/951056210.db2.gz ACQGAWKEKVLHIX-ZETCQYMHSA-N -1 3 390.791 0.837 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ncccc1-c1nnn[n-]1 ZINC001575022170 951071385 /nfs/dbraw/zinc/07/13/85/951071385.db2.gz IFSWEVULOUGKOF-SECBINFHSA-N -1 3 386.441 0.900 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ncccc1-c1nn[n-]n1 ZINC001575022170 951071390 /nfs/dbraw/zinc/07/13/90/951071390.db2.gz IFSWEVULOUGKOF-SECBINFHSA-N -1 3 386.441 0.900 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575024286 951098861 /nfs/dbraw/zinc/09/88/61/951098861.db2.gz ZURFASVEKONAMC-QMMMGPOBSA-N -1 3 388.363 0.347 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575024286 951098873 /nfs/dbraw/zinc/09/88/73/951098873.db2.gz ZURFASVEKONAMC-QMMMGPOBSA-N -1 3 388.363 0.347 20 0 GCADHM C[C@H](CNC(=O)c1ccc2n[nH]nc2n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575024341 951102663 /nfs/dbraw/zinc/10/26/63/951102663.db2.gz BHWXSXFYYHWCQL-SECBINFHSA-N -1 3 379.388 0.183 20 0 GCADHM C[C@H](CNC(=O)c1ccc2n[nH]nc2n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575024341 951102671 /nfs/dbraw/zinc/10/26/71/951102671.db2.gz BHWXSXFYYHWCQL-SECBINFHSA-N -1 3 379.388 0.183 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575024453 951103503 /nfs/dbraw/zinc/10/35/03/951103503.db2.gz DZRYUBUHJXMPQU-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575024453 951103514 /nfs/dbraw/zinc/10/35/14/951103514.db2.gz DZRYUBUHJXMPQU-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575024549 951107360 /nfs/dbraw/zinc/10/73/60/951107360.db2.gz HERQYYILPUECQR-JTQLQIEISA-N -1 3 382.384 0.658 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575024549 951107368 /nfs/dbraw/zinc/10/73/68/951107368.db2.gz HERQYYILPUECQR-JTQLQIEISA-N -1 3 382.384 0.658 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2n[nH]nc2c1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575024676 951112318 /nfs/dbraw/zinc/11/23/18/951112318.db2.gz KKXMKKKKYZBGHU-VIFPVBQESA-N -1 3 379.388 0.183 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575024951 951120673 /nfs/dbraw/zinc/12/06/73/951120673.db2.gz QHAXXYITGLTGNB-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575024951 951120676 /nfs/dbraw/zinc/12/06/76/951120676.db2.gz QHAXXYITGLTGNB-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575025127 951125373 /nfs/dbraw/zinc/12/53/73/951125373.db2.gz VMXNVTARBQCCDX-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575025127 951125378 /nfs/dbraw/zinc/12/53/78/951125378.db2.gz VMXNVTARBQCCDX-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nnn(C)c2c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575026230 951140447 /nfs/dbraw/zinc/14/04/47/951140447.db2.gz HFTTYSVBMPZQSG-JTQLQIEISA-N -1 3 378.400 0.774 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nnn(C)c2c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575026230 951140453 /nfs/dbraw/zinc/14/04/53/951140453.db2.gz HFTTYSVBMPZQSG-JTQLQIEISA-N -1 3 378.400 0.774 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575026377 951143629 /nfs/dbraw/zinc/14/36/29/951143629.db2.gz IEYNGAHMBNAOJQ-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575026377 951143632 /nfs/dbraw/zinc/14/36/32/951143632.db2.gz IEYNGAHMBNAOJQ-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2cccnn21)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575027494 951157265 /nfs/dbraw/zinc/15/72/65/951157265.db2.gz QPNKKZQFQOGBQH-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2cccnn21)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575027494 951157272 /nfs/dbraw/zinc/15/72/72/951157272.db2.gz QPNKKZQFQOGBQH-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575028959 951179275 /nfs/dbraw/zinc/17/92/75/951179275.db2.gz XYOOEMCIPKZAHT-SECBINFHSA-N -1 3 384.375 0.730 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575028959 951179285 /nfs/dbraw/zinc/17/92/85/951179285.db2.gz XYOOEMCIPKZAHT-SECBINFHSA-N -1 3 384.375 0.730 20 0 GCADHM C[C@@H](CNC(=O)c1cccn2ccnc12)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575031530 951196606 /nfs/dbraw/zinc/19/66/06/951196606.db2.gz CGHWLFRSBUZTQW-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cccn2ccnc12)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575031530 951196612 /nfs/dbraw/zinc/19/66/12/951196612.db2.gz CGHWLFRSBUZTQW-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@](CNC(=O)c1ccccn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575031693 951201429 /nfs/dbraw/zinc/20/14/29/951201429.db2.gz HDVNTQKHNPBUMG-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1ccccn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575031693 951201440 /nfs/dbraw/zinc/20/14/40/951201440.db2.gz HDVNTQKHNPBUMG-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575031759 951203429 /nfs/dbraw/zinc/20/34/29/951203429.db2.gz IGKSXAXTMKVYTB-VIFPVBQESA-N -1 3 384.375 0.730 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575031759 951203435 /nfs/dbraw/zinc/20/34/35/951203435.db2.gz IGKSXAXTMKVYTB-VIFPVBQESA-N -1 3 384.375 0.730 20 0 GCADHM C[C@H](CNC(=O)c1cccn2c(=O)[nH]nc12)Nc1ncccc1-c1nnn[n-]1 ZINC001575031835 951206435 /nfs/dbraw/zinc/20/64/35/951206435.db2.gz KANHNMHBMBRIRF-SECBINFHSA-N -1 3 380.372 0.240 20 0 GCADHM C[C@H](CNC(=O)c1cccn2c(=O)[nH]nc12)Nc1ncccc1-c1nn[n-]n1 ZINC001575031835 951206452 /nfs/dbraw/zinc/20/64/52/951206452.db2.gz KANHNMHBMBRIRF-SECBINFHSA-N -1 3 380.372 0.240 20 0 GCADHM C[C@@](CNC(=O)c1cccnc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575032178 951218563 /nfs/dbraw/zinc/21/85/63/951218563.db2.gz SNOAEPTUPVPTJD-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1cccnc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575032178 951218567 /nfs/dbraw/zinc/21/85/67/951218567.db2.gz SNOAEPTUPVPTJD-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575033866 951233134 /nfs/dbraw/zinc/23/31/34/951233134.db2.gz DASYZFMAWJUEFG-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575033866 951233142 /nfs/dbraw/zinc/23/31/42/951233142.db2.gz DASYZFMAWJUEFG-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575034435 951247033 /nfs/dbraw/zinc/24/70/33/951247033.db2.gz BKYWWNBKPOGNBE-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575034435 951247043 /nfs/dbraw/zinc/24/70/43/951247043.db2.gz BKYWWNBKPOGNBE-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575035565 951280016 /nfs/dbraw/zinc/28/00/16/951280016.db2.gz XRELISQYIPZWNT-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575035565 951280025 /nfs/dbraw/zinc/28/00/25/951280025.db2.gz XRELISQYIPZWNT-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575035755 951281623 /nfs/dbraw/zinc/28/16/23/951281623.db2.gz KOGNVGXXOXXEPF-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575035755 951281636 /nfs/dbraw/zinc/28/16/36/951281636.db2.gz KOGNVGXXOXXEPF-SNVBAGLBSA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575036460 951296478 /nfs/dbraw/zinc/29/64/78/951296478.db2.gz SDYOZFJSYWHRRE-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575036460 951296494 /nfs/dbraw/zinc/29/64/94/951296494.db2.gz SDYOZFJSYWHRRE-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575036685 951297295 /nfs/dbraw/zinc/29/72/95/951297295.db2.gz VXDJAKLUFNGBTF-VIFPVBQESA-N -1 3 388.819 0.844 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575036685 951297305 /nfs/dbraw/zinc/29/73/05/951297305.db2.gz VXDJAKLUFNGBTF-VIFPVBQESA-N -1 3 388.819 0.844 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575038535 951320601 /nfs/dbraw/zinc/32/06/01/951320601.db2.gz JVBOMUMDVIXMCS-MRVPVSSYSA-N -1 3 388.363 0.252 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575038535 951320612 /nfs/dbraw/zinc/32/06/12/951320612.db2.gz JVBOMUMDVIXMCS-MRVPVSSYSA-N -1 3 388.363 0.252 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575038880 951324197 /nfs/dbraw/zinc/32/41/97/951324197.db2.gz MPBVKYODBUQMIY-NSHDSACASA-N -1 3 384.448 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575038880 951324214 /nfs/dbraw/zinc/32/42/14/951324214.db2.gz MPBVKYODBUQMIY-NSHDSACASA-N -1 3 384.448 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575039617 951333607 /nfs/dbraw/zinc/33/36/07/951333607.db2.gz QQTPHUPWJNVVLF-SNVBAGLBSA-N -1 3 384.400 0.137 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575039617 951333619 /nfs/dbraw/zinc/33/36/19/951333619.db2.gz QQTPHUPWJNVVLF-SNVBAGLBSA-N -1 3 384.400 0.137 20 0 GCADHM CC(C)(C)N1CC[C@@H]1CNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001602868479 971736473 /nfs/dbraw/zinc/73/64/73/971736473.db2.gz KVLJIHSVTUJZKF-UKRRQHHQSA-N -1 3 380.489 0.966 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)cn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575042234 951359308 /nfs/dbraw/zinc/35/93/08/951359308.db2.gz HQIGBKMGDAWIRX-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)cn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575042234 951359319 /nfs/dbraw/zinc/35/93/19/951359319.db2.gz HQIGBKMGDAWIRX-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575042726 951371337 /nfs/dbraw/zinc/37/13/37/951371337.db2.gz BFECFNCKBFCLNI-LLVKDONJSA-N -1 3 383.416 0.466 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575042726 951371350 /nfs/dbraw/zinc/37/13/50/951371350.db2.gz BFECFNCKBFCLNI-LLVKDONJSA-N -1 3 383.416 0.466 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575043021 951380183 /nfs/dbraw/zinc/38/01/83/951380183.db2.gz NTNCXTWFXODBKO-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575043021 951380196 /nfs/dbraw/zinc/38/01/96/951380196.db2.gz NTNCXTWFXODBKO-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575043187 951383937 /nfs/dbraw/zinc/38/39/37/951383937.db2.gz GPUWVHKCGDREHD-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575043187 951383950 /nfs/dbraw/zinc/38/39/50/951383950.db2.gz GPUWVHKCGDREHD-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575043157 951384298 /nfs/dbraw/zinc/38/42/98/951384298.db2.gz GHDGHTDPJDDWJQ-VIFPVBQESA-N -1 3 386.395 0.487 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575043157 951384310 /nfs/dbraw/zinc/38/43/10/951384310.db2.gz GHDGHTDPJDDWJQ-VIFPVBQESA-N -1 3 386.395 0.487 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575043543 951395362 /nfs/dbraw/zinc/39/53/62/951395362.db2.gz UAYZREMIQOYDON-QMMMGPOBSA-N -1 3 375.368 0.318 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044781 951417713 /nfs/dbraw/zinc/41/77/13/951417713.db2.gz UZUDWLDIIMFSLT-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044781 951417722 /nfs/dbraw/zinc/41/77/22/951417722.db2.gz UZUDWLDIIMFSLT-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n[nH]nc2c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575044795 951417830 /nfs/dbraw/zinc/41/78/30/951417830.db2.gz VFFRFUFQEUHYCK-VIFPVBQESA-N -1 3 379.388 0.183 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n[nH]nc2c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575044795 951417838 /nfs/dbraw/zinc/41/78/38/951417838.db2.gz VFFRFUFQEUHYCK-VIFPVBQESA-N -1 3 379.388 0.183 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575045395 951426091 /nfs/dbraw/zinc/42/60/91/951426091.db2.gz BOKQMJQNLKZQFD-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575045395 951426097 /nfs/dbraw/zinc/42/60/97/951426097.db2.gz BOKQMJQNLKZQFD-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1ncccc1-c1nnn[n-]1 ZINC001575045572 951427104 /nfs/dbraw/zinc/42/71/04/951427104.db2.gz DMLHPOGMRVSKLK-NSHDSACASA-N -1 3 383.416 0.466 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)CNc1ncccc1-c1nn[n-]n1 ZINC001575045572 951427111 /nfs/dbraw/zinc/42/71/11/951427111.db2.gz DMLHPOGMRVSKLK-NSHDSACASA-N -1 3 383.416 0.466 20 0 GCADHM C[C@](CNC(=O)c1cncnc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575045429 951428019 /nfs/dbraw/zinc/42/80/19/951428019.db2.gz CESTWYBKARCOGG-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cncnc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575045429 951428033 /nfs/dbraw/zinc/42/80/33/951428033.db2.gz CESTWYBKARCOGG-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2nccnc2c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575045920 951434681 /nfs/dbraw/zinc/43/46/81/951434681.db2.gz JMIKSXBPBUETJS-NSHDSACASA-N -1 3 390.411 0.855 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2nccnc2c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575045920 951434691 /nfs/dbraw/zinc/43/46/91/951434691.db2.gz JMIKSXBPBUETJS-NSHDSACASA-N -1 3 390.411 0.855 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575046578 951443783 /nfs/dbraw/zinc/44/37/83/951443783.db2.gz PNIPHODDSWPVGK-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575046578 951443788 /nfs/dbraw/zinc/44/37/88/951443788.db2.gz PNIPHODDSWPVGK-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cnnn1C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575054276 951492123 /nfs/dbraw/zinc/49/21/23/951492123.db2.gz HKEKCMJQEPPIKE-QMMMGPOBSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@@H](CNC(=O)c1cnnn1C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575054276 951492127 /nfs/dbraw/zinc/49/21/27/951492127.db2.gz HKEKCMJQEPPIKE-QMMMGPOBSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575054550 951494763 /nfs/dbraw/zinc/49/47/63/951494763.db2.gz YCBPSBMCONKSME-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575054550 951494769 /nfs/dbraw/zinc/49/47/69/951494769.db2.gz YCBPSBMCONKSME-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cnnn1C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575054733 951495749 /nfs/dbraw/zinc/49/57/49/951495749.db2.gz KKAFISIXFPSGLI-MRVPVSSYSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@@H](CNC(=O)c1cnnn1C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575054733 951495752 /nfs/dbraw/zinc/49/57/52/951495752.db2.gz KKAFISIXFPSGLI-MRVPVSSYSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1ncccc1-c1nnn[n-]1 ZINC001575055000 951498109 /nfs/dbraw/zinc/49/81/09/951498109.db2.gz LHSYLIVIAXDKQU-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1ncccc1-c1nn[n-]n1 ZINC001575055000 951498114 /nfs/dbraw/zinc/49/81/14/951498114.db2.gz LHSYLIVIAXDKQU-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575055390 951504367 /nfs/dbraw/zinc/50/43/67/951504367.db2.gz SDHFCLXRUPZCRQ-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575055390 951504373 /nfs/dbraw/zinc/50/43/73/951504373.db2.gz SDHFCLXRUPZCRQ-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575055434 951504897 /nfs/dbraw/zinc/50/48/97/951504897.db2.gz UEVWRZPVOPPUFO-VIFPVBQESA-N -1 3 377.359 0.797 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575055434 951504903 /nfs/dbraw/zinc/50/49/03/951504903.db2.gz UEVWRZPVOPPUFO-VIFPVBQESA-N -1 3 377.359 0.797 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575056302 951518420 /nfs/dbraw/zinc/51/84/20/951518420.db2.gz GZHWMKYUTIDPBO-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575056302 951518428 /nfs/dbraw/zinc/51/84/28/951518428.db2.gz GZHWMKYUTIDPBO-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CC2)n1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575056373 951520455 /nfs/dbraw/zinc/52/04/55/951520455.db2.gz IDRJCEATBDAULN-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CC2)n1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575056373 951520464 /nfs/dbraw/zinc/52/04/64/951520464.db2.gz IDRJCEATBDAULN-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CC2)n1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575056371 951520641 /nfs/dbraw/zinc/52/06/41/951520641.db2.gz IDRJCEATBDAULN-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CC2)n1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575056371 951520651 /nfs/dbraw/zinc/52/06/51/951520651.db2.gz IDRJCEATBDAULN-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1coc(C(N)=O)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575056906 951522700 /nfs/dbraw/zinc/52/27/00/951522700.db2.gz MCJLZVABERBKEM-SSDOTTSWSA-N -1 3 390.791 0.837 20 0 GCADHM C[C@H](CNC(=O)c1coc(C(N)=O)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575056906 951522713 /nfs/dbraw/zinc/52/27/13/951522713.db2.gz MCJLZVABERBKEM-SSDOTTSWSA-N -1 3 390.791 0.837 20 0 GCADHM C[C@H](CNC(=O)c1coc(C(N)=O)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575058882 951537340 /nfs/dbraw/zinc/53/73/40/951537340.db2.gz WCMQCFSLLJEFGE-MRVPVSSYSA-N -1 3 388.363 0.347 20 0 GCADHM C[C@H](CNC(=O)c1coc(C(N)=O)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575058882 951537351 /nfs/dbraw/zinc/53/73/51/951537351.db2.gz WCMQCFSLLJEFGE-MRVPVSSYSA-N -1 3 388.363 0.347 20 0 GCADHM C[C@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575061626 951561403 /nfs/dbraw/zinc/56/14/03/951561403.db2.gz OUMDCOAUXLNTEF-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575061959 951564105 /nfs/dbraw/zinc/56/41/05/951564105.db2.gz SCIXHGUDTYSPOZ-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575061959 951564112 /nfs/dbraw/zinc/56/41/12/951564112.db2.gz SCIXHGUDTYSPOZ-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575062170 951566386 /nfs/dbraw/zinc/56/63/86/951566386.db2.gz UWFGGSPFNDUQFY-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575062170 951566394 /nfs/dbraw/zinc/56/63/94/951566394.db2.gz UWFGGSPFNDUQFY-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575064635 951577123 /nfs/dbraw/zinc/57/71/23/951577123.db2.gz BQCLNGYIGVHAKP-SNVBAGLBSA-N -1 3 385.436 0.258 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575064635 951577139 /nfs/dbraw/zinc/57/71/39/951577139.db2.gz BQCLNGYIGVHAKP-SNVBAGLBSA-N -1 3 385.436 0.258 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575065915 951590682 /nfs/dbraw/zinc/59/06/82/951590682.db2.gz JFOONFOOJHZRJA-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575065915 951590691 /nfs/dbraw/zinc/59/06/91/951590691.db2.gz JFOONFOOJHZRJA-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575066898 951601833 /nfs/dbraw/zinc/60/18/33/951601833.db2.gz NNSRVYHNXGZOTJ-JTQLQIEISA-N -1 3 385.436 0.258 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575066898 951601841 /nfs/dbraw/zinc/60/18/41/951601841.db2.gz NNSRVYHNXGZOTJ-JTQLQIEISA-N -1 3 385.436 0.258 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575067794 951624113 /nfs/dbraw/zinc/62/41/13/951624113.db2.gz ZEHYEOZMZWENEI-JTQLQIEISA-N -1 3 385.436 0.258 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575067794 951624118 /nfs/dbraw/zinc/62/41/18/951624118.db2.gz ZEHYEOZMZWENEI-JTQLQIEISA-N -1 3 385.436 0.258 20 0 GCADHM O=C([O-])CN1CCC(NS(=O)(=O)c2cccc3c2OC(F)(F)O3)CC1 ZINC001595081160 951680271 /nfs/dbraw/zinc/68/02/71/951680271.db2.gz NWDMVXOBLJIMFG-UHFFFAOYSA-N -1 3 378.353 0.835 20 0 GCADHM C[C@@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575116779 951973795 /nfs/dbraw/zinc/97/37/95/951973795.db2.gz INAUKRSFRLWSMH-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM C[C@@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116779 951973797 /nfs/dbraw/zinc/97/37/97/951973797.db2.gz INAUKRSFRLWSMH-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM C[C@H](CNCc1noc2c1COCC2)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116746 951973809 /nfs/dbraw/zinc/97/38/09/951973809.db2.gz HJGITOFUMIDWQG-SNVBAGLBSA-N -1 3 386.416 0.506 20 0 GCADHM C[C@H](CNCc1ncnn1CCF)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575117100 951977456 /nfs/dbraw/zinc/97/74/56/951977456.db2.gz LEBBNQONDCAWLC-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575121532 951995842 /nfs/dbraw/zinc/99/58/42/951995842.db2.gz FVBCMKCFPROKAN-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575121532 951995847 /nfs/dbraw/zinc/99/58/47/951995847.db2.gz FVBCMKCFPROKAN-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575121444 951996891 /nfs/dbraw/zinc/99/68/91/951996891.db2.gz DUHHMKHBGXIGSO-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575121444 951996899 /nfs/dbraw/zinc/99/68/99/951996899.db2.gz DUHHMKHBGXIGSO-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575122704 952004712 /nfs/dbraw/zinc/00/47/12/952004712.db2.gz MXEZEWWPPNVBLE-KZULUSFZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575122704 952004719 /nfs/dbraw/zinc/00/47/19/952004719.db2.gz MXEZEWWPPNVBLE-KZULUSFZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575123009 952010055 /nfs/dbraw/zinc/01/00/55/952010055.db2.gz NEBMXHXXTQCKRS-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575123009 952010068 /nfs/dbraw/zinc/01/00/68/952010068.db2.gz NEBMXHXXTQCKRS-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC1 ZINC001575125127 952038018 /nfs/dbraw/zinc/03/80/18/952038018.db2.gz MJYCAMVGTHUXBT-UYSIFFEZSA-N -1 3 398.471 0.860 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC1 ZINC001575125127 952038025 /nfs/dbraw/zinc/03/80/25/952038025.db2.gz MJYCAMVGTHUXBT-UYSIFFEZSA-N -1 3 398.471 0.860 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575125548 952044256 /nfs/dbraw/zinc/04/42/56/952044256.db2.gz ZVMRVOFTZGJEBA-TZMCWYRMSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575125548 952044260 /nfs/dbraw/zinc/04/42/60/952044260.db2.gz ZVMRVOFTZGJEBA-TZMCWYRMSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2ncccn2n1 ZINC001575126589 952051294 /nfs/dbraw/zinc/05/12/94/952051294.db2.gz TTYCQLBUFNHYSR-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2ncccn2n1 ZINC001575126589 952051306 /nfs/dbraw/zinc/05/13/06/952051306.db2.gz TTYCQLBUFNHYSR-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575126887 952053659 /nfs/dbraw/zinc/05/36/59/952053659.db2.gz UHIXFHQHQXUGLB-ZWNOBZJWSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575126887 952053663 /nfs/dbraw/zinc/05/36/63/952053663.db2.gz UHIXFHQHQXUGLB-ZWNOBZJWSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575126607 952053686 /nfs/dbraw/zinc/05/36/86/952053686.db2.gz TVHDNEWGVKOCLG-RDTXWAMCSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575126607 952053691 /nfs/dbraw/zinc/05/36/91/952053691.db2.gz TVHDNEWGVKOCLG-RDTXWAMCSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575127613 952058602 /nfs/dbraw/zinc/05/86/02/952058602.db2.gz ZBALKQRSKRNGKE-ZYHUDNBSSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575127613 952058613 /nfs/dbraw/zinc/05/86/13/952058613.db2.gz ZBALKQRSKRNGKE-ZYHUDNBSSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccnc2ccnn21 ZINC001575127732 952060050 /nfs/dbraw/zinc/06/00/50/952060050.db2.gz CJJNZQUKDQZESJ-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccnc2ccnn21 ZINC001575127732 952060056 /nfs/dbraw/zinc/06/00/56/952060056.db2.gz CJJNZQUKDQZESJ-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575128655 952070691 /nfs/dbraw/zinc/07/06/91/952070691.db2.gz LEHKCMFBTKUPRA-TWJWRFFLSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575128655 952070695 /nfs/dbraw/zinc/07/06/95/952070695.db2.gz LEHKCMFBTKUPRA-TWJWRFFLSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575131740 952088743 /nfs/dbraw/zinc/08/87/43/952088743.db2.gz AWNIMPFRLQRDSX-ZETCQYMHSA-N -1 3 378.347 0.890 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575131842 952089709 /nfs/dbraw/zinc/08/97/09/952089709.db2.gz BXKNGIURZJWNIJ-WDEREUQCSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575133387 952104470 /nfs/dbraw/zinc/10/44/70/952104470.db2.gz KJVVKIZKVBLVLN-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CN1CCCNC1=O ZINC001575136835 952129355 /nfs/dbraw/zinc/12/93/55/952129355.db2.gz PZDIGVVSPJVMTK-NSHDSACASA-N -1 3 390.423 0.680 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CN1CCCNC1=O ZINC001575136835 952129363 /nfs/dbraw/zinc/12/93/63/952129363.db2.gz PZDIGVVSPJVMTK-NSHDSACASA-N -1 3 390.423 0.680 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575137402 952138551 /nfs/dbraw/zinc/13/85/51/952138551.db2.gz XYORLNOFPAZMHB-YVEFUNNKSA-N -1 3 388.407 0.384 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001575137402 952138553 /nfs/dbraw/zinc/13/85/53/952138553.db2.gz XYORLNOFPAZMHB-YVEFUNNKSA-N -1 3 388.407 0.384 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575137399 952139373 /nfs/dbraw/zinc/13/93/73/952139373.db2.gz XYORLNOFPAZMHB-PXAZEXFGSA-N -1 3 388.407 0.384 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575137399 952139378 /nfs/dbraw/zinc/13/93/78/952139378.db2.gz XYORLNOFPAZMHB-PXAZEXFGSA-N -1 3 388.407 0.384 20 0 GCADHM C[C@](CNc1ccnc(-c2nnn[n-]2)n1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575143800 952158465 /nfs/dbraw/zinc/15/84/65/952158465.db2.gz RXNWQHLLJVAZSX-QGZVFWFLSA-N -1 3 382.432 0.131 20 0 GCADHM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575143800 952158470 /nfs/dbraw/zinc/15/84/70/952158470.db2.gz RXNWQHLLJVAZSX-QGZVFWFLSA-N -1 3 382.432 0.131 20 0 GCADHM O=C([O-])Cn1cccc(C(=O)NCC2CCN(Cc3ccncc3)CC2)c1=O ZINC001595155869 952167709 /nfs/dbraw/zinc/16/77/09/952167709.db2.gz ZZKMVKQYSZYDFV-UHFFFAOYSA-N -1 3 384.436 0.970 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575153942 952215109 /nfs/dbraw/zinc/21/51/09/952215109.db2.gz MLWQIQCBZMSHAH-GHMZBOCLSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575163719 952281794 /nfs/dbraw/zinc/28/17/94/952281794.db2.gz FCJPKCXIEBVZIC-QWRGUYRKSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575163719 952281800 /nfs/dbraw/zinc/28/18/00/952281800.db2.gz FCJPKCXIEBVZIC-QWRGUYRKSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575164167 952287978 /nfs/dbraw/zinc/28/79/78/952287978.db2.gz JAPNOXJHWFOBIO-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575164167 952287982 /nfs/dbraw/zinc/28/79/82/952287982.db2.gz JAPNOXJHWFOBIO-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCCC(=O)N(C)C ZINC001575164195 952288401 /nfs/dbraw/zinc/28/84/01/952288401.db2.gz JNIREHURGZKDQV-LLVKDONJSA-N -1 3 392.439 0.918 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCCC(=O)N(C)C ZINC001575164195 952288406 /nfs/dbraw/zinc/28/84/06/952288406.db2.gz JNIREHURGZKDQV-LLVKDONJSA-N -1 3 392.439 0.918 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCc1cn(C)nn1 ZINC001575164163 952288471 /nfs/dbraw/zinc/28/84/71/952288471.db2.gz IYXLZEWLJXLCQD-SNVBAGLBSA-N -1 3 388.411 0.421 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCc1cn(C)nn1 ZINC001575164163 952288475 /nfs/dbraw/zinc/28/84/75/952288475.db2.gz IYXLZEWLJXLCQD-SNVBAGLBSA-N -1 3 388.411 0.421 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575164505 952294062 /nfs/dbraw/zinc/29/40/62/952294062.db2.gz LYYSSJATCALTKS-MWLCHTKSSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575164505 952294066 /nfs/dbraw/zinc/29/40/66/952294066.db2.gz LYYSSJATCALTKS-MWLCHTKSSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1cnn(C)c1N ZINC001575164810 952299584 /nfs/dbraw/zinc/29/95/84/952299584.db2.gz HYWBGVIFAMIJDG-QMMMGPOBSA-N -1 3 390.839 0.803 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1cnn(C)c1N ZINC001575164810 952299591 /nfs/dbraw/zinc/29/95/91/952299591.db2.gz HYWBGVIFAMIJDG-QMMMGPOBSA-N -1 3 390.839 0.803 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575165037 952301814 /nfs/dbraw/zinc/30/18/14/952301814.db2.gz QHCDUMBQFAYKPI-KPZWWZAWSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575165037 952301821 /nfs/dbraw/zinc/30/18/21/952301821.db2.gz QHCDUMBQFAYKPI-KPZWWZAWSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575165062 952303244 /nfs/dbraw/zinc/30/32/44/952303244.db2.gz KDGRILHFHOPCDX-DYVFJYSZSA-N -1 3 391.407 0.513 20 0 GCADHM C[C@@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575165062 952303250 /nfs/dbraw/zinc/30/32/50/952303250.db2.gz KDGRILHFHOPCDX-DYVFJYSZSA-N -1 3 391.407 0.513 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575165439 952309992 /nfs/dbraw/zinc/30/99/92/952309992.db2.gz TVVDEECJUBTESB-MNOVXSKESA-N -1 3 390.423 0.528 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575165439 952309998 /nfs/dbraw/zinc/30/99/98/952309998.db2.gz TVVDEECJUBTESB-MNOVXSKESA-N -1 3 390.423 0.528 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1nnn(C)n1 ZINC001575165544 952310661 /nfs/dbraw/zinc/31/06/61/952310661.db2.gz OODIJBMWZRIUTF-SSDOTTSWSA-N -1 3 377.800 0.011 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1nnn(C)n1 ZINC001575165544 952310666 /nfs/dbraw/zinc/31/06/66/952310666.db2.gz OODIJBMWZRIUTF-SSDOTTSWSA-N -1 3 377.800 0.011 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575165685 952314458 /nfs/dbraw/zinc/31/44/58/952314458.db2.gz VCBFQOPHZGHYSV-UWVGGRQHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575165685 952314464 /nfs/dbraw/zinc/31/44/64/952314464.db2.gz VCBFQOPHZGHYSV-UWVGGRQHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575165684 952314838 /nfs/dbraw/zinc/31/48/38/952314838.db2.gz QOVMAZYJZYSYNJ-ZJUUUORDSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575165684 952314846 /nfs/dbraw/zinc/31/48/46/952314846.db2.gz QOVMAZYJZYSYNJ-ZJUUUORDSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575165997 952317285 /nfs/dbraw/zinc/31/72/85/952317285.db2.gz RTWDZTWHHLVSJJ-BDJLRTHQSA-N -1 3 390.379 0.206 20 0 GCADHM C[C@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575165997 952317292 /nfs/dbraw/zinc/31/72/92/952317292.db2.gz RTWDZTWHHLVSJJ-BDJLRTHQSA-N -1 3 390.379 0.206 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)CCn1ccnn1 ZINC001575166146 952320027 /nfs/dbraw/zinc/32/00/27/952320027.db2.gz SJOPCNVHPFBDLM-JTQLQIEISA-N -1 3 390.839 0.856 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)CCn1ccnn1 ZINC001575166146 952320033 /nfs/dbraw/zinc/32/00/33/952320033.db2.gz SJOPCNVHPFBDLM-JTQLQIEISA-N -1 3 390.839 0.856 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1nccnc1N ZINC001575166243 952322754 /nfs/dbraw/zinc/32/27/54/952322754.db2.gz UEADQKWNUFPWRW-MRVPVSSYSA-N -1 3 388.823 0.860 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1nccnc1N ZINC001575166243 952322759 /nfs/dbraw/zinc/32/27/59/952322759.db2.gz UEADQKWNUFPWRW-MRVPVSSYSA-N -1 3 388.823 0.860 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)COCc1nccn1C ZINC001575168841 952344650 /nfs/dbraw/zinc/34/46/50/952344650.db2.gz NYRGEACIFGETDU-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)COCc1nccn1C ZINC001575168841 952344658 /nfs/dbraw/zinc/34/46/58/952344658.db2.gz NYRGEACIFGETDU-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575169193 952346960 /nfs/dbraw/zinc/34/69/60/952346960.db2.gz PEMFZIUMWOPFJQ-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575169193 952346967 /nfs/dbraw/zinc/34/69/67/952346967.db2.gz PEMFZIUMWOPFJQ-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575170015 952352255 /nfs/dbraw/zinc/35/22/55/952352255.db2.gz VJSHDORSSVJBSF-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575170015 952352262 /nfs/dbraw/zinc/35/22/62/952352262.db2.gz VJSHDORSSVJBSF-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575170017 952352585 /nfs/dbraw/zinc/35/25/85/952352585.db2.gz VLWRVDKWLMEKHD-NWDGAFQWSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575170017 952352592 /nfs/dbraw/zinc/35/25/92/952352592.db2.gz VLWRVDKWLMEKHD-NWDGAFQWSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575170007 952352629 /nfs/dbraw/zinc/35/26/29/952352629.db2.gz VHHZIAQGNMWPBO-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575170007 952352637 /nfs/dbraw/zinc/35/26/37/952352637.db2.gz VHHZIAQGNMWPBO-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001575184714 952422899 /nfs/dbraw/zinc/42/28/99/952422899.db2.gz AZDIBFOIBCFTJT-YPMHNXCESA-N -1 3 378.458 0.182 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001575184714 952422902 /nfs/dbraw/zinc/42/29/02/952422902.db2.gz AZDIBFOIBCFTJT-YPMHNXCESA-N -1 3 378.458 0.182 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001575184711 952422951 /nfs/dbraw/zinc/42/29/51/952422951.db2.gz AZDIBFOIBCFTJT-AAEUAGOBSA-N -1 3 378.458 0.182 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 ZINC001575184711 952422954 /nfs/dbraw/zinc/42/29/54/952422954.db2.gz AZDIBFOIBCFTJT-AAEUAGOBSA-N -1 3 378.458 0.182 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001575184963 952426858 /nfs/dbraw/zinc/42/68/58/952426858.db2.gz IDPWXNIBXRVDLU-SWLSCSKDSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001575184963 952426861 /nfs/dbraw/zinc/42/68/61/952426861.db2.gz IDPWXNIBXRVDLU-SWLSCSKDSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575185038 952427467 /nfs/dbraw/zinc/42/74/67/952427467.db2.gz KBFPWYWWFZNNOZ-MNOVXSKESA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575185038 952427469 /nfs/dbraw/zinc/42/74/69/952427469.db2.gz KBFPWYWWFZNNOZ-MNOVXSKESA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C1CC1 ZINC001575185028 952428094 /nfs/dbraw/zinc/42/80/94/952428094.db2.gz JXNIQMXCJPYJDR-LBPRGKRZSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@@H](CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C1CC1 ZINC001575185028 952428097 /nfs/dbraw/zinc/42/80/97/952428097.db2.gz JXNIQMXCJPYJDR-LBPRGKRZSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185172 952429034 /nfs/dbraw/zinc/42/90/34/952429034.db2.gz MEXNJDUVTYKEIJ-JLLWLGSASA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185172 952429036 /nfs/dbraw/zinc/42/90/36/952429036.db2.gz MEXNJDUVTYKEIJ-JLLWLGSASA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575185762 952435282 /nfs/dbraw/zinc/43/52/82/952435282.db2.gz VUNZLQDEYZWBBY-LBPRGKRZSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575185762 952435288 /nfs/dbraw/zinc/43/52/88/952435288.db2.gz VUNZLQDEYZWBBY-LBPRGKRZSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001575186141 952438177 /nfs/dbraw/zinc/43/81/77/952438177.db2.gz ZCOQCYWRYVANHB-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001575186141 952438179 /nfs/dbraw/zinc/43/81/79/952438179.db2.gz ZCOQCYWRYVANHB-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001571114273 952451866 /nfs/dbraw/zinc/45/18/66/952451866.db2.gz FKDCLRGTGKCREF-MNOVXSKESA-N -1 3 375.282 0.968 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001571114273 952451870 /nfs/dbraw/zinc/45/18/70/952451870.db2.gz FKDCLRGTGKCREF-MNOVXSKESA-N -1 3 375.282 0.968 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001575189294 952454083 /nfs/dbraw/zinc/45/40/83/952454083.db2.gz NVSUBFJDZOQSCC-ZOWXZIJZSA-N -1 3 392.485 0.428 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001575189294 952454086 /nfs/dbraw/zinc/45/40/86/952454086.db2.gz NVSUBFJDZOQSCC-ZOWXZIJZSA-N -1 3 392.485 0.428 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@@H]2CCNC2=O)c(-c2nnn[n-]2)cn1CC ZINC001571114518 952455404 /nfs/dbraw/zinc/45/54/04/952455404.db2.gz JVIFOUNRXZDGMW-VIFPVBQESA-N -1 3 375.389 0.330 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@@H]2CCNC2=O)c(-c2nn[n-]n2)cn1CC ZINC001571114518 952455410 /nfs/dbraw/zinc/45/54/10/952455410.db2.gz JVIFOUNRXZDGMW-VIFPVBQESA-N -1 3 375.389 0.330 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001571114673 952459181 /nfs/dbraw/zinc/45/91/81/952459181.db2.gz LHSJVUVYICUVMS-VIFPVBQESA-N -1 3 375.343 0.614 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001571114673 952459184 /nfs/dbraw/zinc/45/91/84/952459184.db2.gz LHSJVUVYICUVMS-VIFPVBQESA-N -1 3 375.343 0.614 20 0 GCADHM O=C(c1n[nH]cc1F)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571114718 952460169 /nfs/dbraw/zinc/46/01/69/952460169.db2.gz MUGWWJKULRVDRS-SECBINFHSA-N -1 3 375.343 0.980 20 0 GCADHM O=C(c1n[nH]cc1F)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571114718 952460174 /nfs/dbraw/zinc/46/01/74/952460174.db2.gz MUGWWJKULRVDRS-SECBINFHSA-N -1 3 375.343 0.980 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(C(=O)c2sccc2F)CC1 ZINC001571114974 952461638 /nfs/dbraw/zinc/46/16/38/952461638.db2.gz OPJVVSGHMWREGQ-UHFFFAOYSA-N -1 3 375.389 0.994 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(C(=O)c2sccc2F)CC1 ZINC001571114974 952461641 /nfs/dbraw/zinc/46/16/41/952461641.db2.gz OPJVVSGHMWREGQ-UHFFFAOYSA-N -1 3 375.389 0.994 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575190655 952464372 /nfs/dbraw/zinc/46/43/72/952464372.db2.gz VJBIDGBBJKUUPH-LLVKDONJSA-N -1 3 383.412 0.855 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575190655 952464376 /nfs/dbraw/zinc/46/43/76/952464376.db2.gz VJBIDGBBJKUUPH-LLVKDONJSA-N -1 3 383.412 0.855 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575190953 952465281 /nfs/dbraw/zinc/46/52/81/952465281.db2.gz VKPJBFOBOURCQA-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575190953 952465285 /nfs/dbraw/zinc/46/52/85/952465285.db2.gz VKPJBFOBOURCQA-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575190948 952465543 /nfs/dbraw/zinc/46/55/43/952465543.db2.gz VKPJBFOBOURCQA-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575190948 952465546 /nfs/dbraw/zinc/46/55/46/952465546.db2.gz VKPJBFOBOURCQA-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001575191543 952467020 /nfs/dbraw/zinc/46/70/20/952467020.db2.gz XQOLNNDPQVPUKU-XLWVJDPXSA-N -1 3 389.481 0.938 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001575191543 952467021 /nfs/dbraw/zinc/46/70/21/952467021.db2.gz XQOLNNDPQVPUKU-XLWVJDPXSA-N -1 3 389.481 0.938 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575191873 952469710 /nfs/dbraw/zinc/46/97/10/952469710.db2.gz ZDFCNQUCLBXXPP-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575191873 952469711 /nfs/dbraw/zinc/46/97/11/952469711.db2.gz ZDFCNQUCLBXXPP-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575191949 952471213 /nfs/dbraw/zinc/47/12/13/952471213.db2.gz ZNNANQQZMBAMGT-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575191949 952471215 /nfs/dbraw/zinc/47/12/15/952471215.db2.gz ZNNANQQZMBAMGT-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM CSc1ccc(CNC(=O)NCC2N=NC(=O)N2C)cc1-c1nn[n-]n1 ZINC001571116599 952475121 /nfs/dbraw/zinc/47/51/21/952475121.db2.gz ACGRENWNZZGIJF-UHFFFAOYSA-N -1 3 375.418 0.422 20 0 GCADHM CO[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001571116629 952475680 /nfs/dbraw/zinc/47/56/80/952475680.db2.gz ARBGXLBVMBDNNB-OCCSQVGLSA-N -1 3 375.433 0.539 20 0 GCADHM CO[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001571116629 952475682 /nfs/dbraw/zinc/47/56/82/952475682.db2.gz ARBGXLBVMBDNNB-OCCSQVGLSA-N -1 3 375.433 0.539 20 0 GCADHM CO[C@H](C)C(=O)N1CCC([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571117383 952481851 /nfs/dbraw/zinc/48/18/51/952481851.db2.gz KVCUJWMKWZYMHV-GHMZBOCLSA-N -1 3 375.433 0.587 20 0 GCADHM CO[C@H](C)C(=O)N1CCC([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571117383 952481855 /nfs/dbraw/zinc/48/18/55/952481855.db2.gz KVCUJWMKWZYMHV-GHMZBOCLSA-N -1 3 375.433 0.587 20 0 GCADHM O=C(NC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)[C@@H]1CCCO1 ZINC001571117392 952482164 /nfs/dbraw/zinc/48/21/64/952482164.db2.gz LBBFBRARMKTJGN-RISCZKNCSA-N -1 3 375.408 0.912 20 0 GCADHM O=C(NC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)[C@@H]1CCCO1 ZINC001571117392 952482167 /nfs/dbraw/zinc/48/21/67/952482167.db2.gz LBBFBRARMKTJGN-RISCZKNCSA-N -1 3 375.408 0.912 20 0 GCADHM O=C(CN1CCCCC1=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571117512 952482256 /nfs/dbraw/zinc/48/22/56/952482256.db2.gz LUPMEMZBAAPGRN-UHFFFAOYSA-N -1 3 375.458 0.241 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001571117368 952482277 /nfs/dbraw/zinc/48/22/77/952482277.db2.gz KIRZQZPGXIPVHC-KRWDZBQOSA-N -1 3 375.454 0.837 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC001571117368 952482280 /nfs/dbraw/zinc/48/22/80/952482280.db2.gz KIRZQZPGXIPVHC-KRWDZBQOSA-N -1 3 375.454 0.837 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001571117573 952483352 /nfs/dbraw/zinc/48/33/52/952483352.db2.gz NGKBMEUHZRGVLO-SJKOYZFVSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001571117573 952483354 /nfs/dbraw/zinc/48/33/54/952483354.db2.gz NGKBMEUHZRGVLO-SJKOYZFVSA-N -1 3 375.408 0.912 20 0 GCADHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC001571117714 952483644 /nfs/dbraw/zinc/48/36/44/952483644.db2.gz ORRQPGGQPROQEU-UHFFFAOYSA-N -1 3 375.414 0.805 20 0 GCADHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC001571117714 952483648 /nfs/dbraw/zinc/48/36/48/952483648.db2.gz ORRQPGGQPROQEU-UHFFFAOYSA-N -1 3 375.414 0.805 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575197574 952484286 /nfs/dbraw/zinc/48/42/86/952484286.db2.gz WYRLACUHSFAPRV-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575197574 952484290 /nfs/dbraw/zinc/48/42/90/952484290.db2.gz WYRLACUHSFAPRV-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H]1CO[C@@H](C(=O)NC2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC001571118044 952485754 /nfs/dbraw/zinc/48/57/54/952485754.db2.gz SIGHITBTGFPKMR-QMTHXVAHSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H]1CO[C@@H](C(=O)NC2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001571118044 952485758 /nfs/dbraw/zinc/48/57/58/952485758.db2.gz SIGHITBTGFPKMR-QMTHXVAHSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)[C@H](F)C(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571117971 952485950 /nfs/dbraw/zinc/48/59/50/952485950.db2.gz RKVBTUTYBDDQCL-ZDUSSCGKSA-N -1 3 375.408 0.863 20 0 GCADHM CC(C)[C@H](F)C(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571117971 952485953 /nfs/dbraw/zinc/48/59/53/952485953.db2.gz RKVBTUTYBDDQCL-ZDUSSCGKSA-N -1 3 375.408 0.863 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571118338 952486597 /nfs/dbraw/zinc/48/65/97/952486597.db2.gz VMDLLIRNCACJAC-QWRGUYRKSA-N -1 3 375.458 0.145 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571118335 952487151 /nfs/dbraw/zinc/48/71/51/952487151.db2.gz VMDLLIRNCACJAC-GHMZBOCLSA-N -1 3 375.458 0.145 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575199229 952488095 /nfs/dbraw/zinc/48/80/95/952488095.db2.gz AREHYYQGYSIIID-QWHCGFSZSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575199229 952488098 /nfs/dbraw/zinc/48/80/98/952488098.db2.gz AREHYYQGYSIIID-QWHCGFSZSA-N -1 3 383.460 0.815 20 0 GCADHM CCNS(=O)(=O)c1cccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001571118363 952488142 /nfs/dbraw/zinc/48/81/42/952488142.db2.gz WDYAGGNASDXXSY-UHFFFAOYSA-N -1 3 375.414 0.423 20 0 GCADHM CCNS(=O)(=O)c1cccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001571118363 952488148 /nfs/dbraw/zinc/48/81/48/952488148.db2.gz WDYAGGNASDXXSY-UHFFFAOYSA-N -1 3 375.414 0.423 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)C1(F)CCOCC1 ZINC001571118378 952488612 /nfs/dbraw/zinc/48/86/12/952488612.db2.gz WNARGBYWCOETPD-LBPRGKRZSA-N -1 3 375.408 0.865 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)C1(F)CCOCC1 ZINC001571118378 952488618 /nfs/dbraw/zinc/48/86/18/952488618.db2.gz WNARGBYWCOETPD-LBPRGKRZSA-N -1 3 375.408 0.865 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575199303 952488962 /nfs/dbraw/zinc/48/89/62/952488962.db2.gz CACDHLPHJSRSJQ-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575199303 952488964 /nfs/dbraw/zinc/48/89/64/952488964.db2.gz CACDHLPHJSRSJQ-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001575199669 952489600 /nfs/dbraw/zinc/48/96/00/952489600.db2.gz DUHFGCUCIXFOKA-LOWVWBTDSA-N -1 3 382.432 0.342 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001575199669 952489604 /nfs/dbraw/zinc/48/96/04/952489604.db2.gz DUHFGCUCIXFOKA-LOWVWBTDSA-N -1 3 382.432 0.342 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575199665 952490280 /nfs/dbraw/zinc/49/02/80/952490280.db2.gz DUFIDNXWYGOVDJ-WFASDCNBSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575199665 952490286 /nfs/dbraw/zinc/49/02/86/952490286.db2.gz DUFIDNXWYGOVDJ-WFASDCNBSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575199974 952490675 /nfs/dbraw/zinc/49/06/75/952490675.db2.gz GJWMQLMMQYKAQS-RYUDHWBXSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575199974 952490681 /nfs/dbraw/zinc/49/06/81/952490681.db2.gz GJWMQLMMQYKAQS-RYUDHWBXSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001575199785 952490862 /nfs/dbraw/zinc/49/08/62/952490862.db2.gz FRTIQTPWVMMIHA-LOWVWBTDSA-N -1 3 382.432 0.342 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)[C@@H]1C ZINC001575199785 952490873 /nfs/dbraw/zinc/49/08/73/952490873.db2.gz FRTIQTPWVMMIHA-LOWVWBTDSA-N -1 3 382.432 0.342 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575199749 952490934 /nfs/dbraw/zinc/49/09/34/952490934.db2.gz FEPFOKWRWFIXSI-WCQYABFASA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575199749 952490940 /nfs/dbraw/zinc/49/09/40/952490940.db2.gz FEPFOKWRWFIXSI-WCQYABFASA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200192 952493088 /nfs/dbraw/zinc/49/30/88/952493088.db2.gz ABTUTSHBANRDOC-AAEUAGOBSA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200192 952493090 /nfs/dbraw/zinc/49/30/90/952493090.db2.gz ABTUTSHBANRDOC-AAEUAGOBSA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001575200332 952495176 /nfs/dbraw/zinc/49/51/76/952495176.db2.gz CIXULOQDDNOSAS-AAEUAGOBSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001575200332 952495180 /nfs/dbraw/zinc/49/51/80/952495180.db2.gz CIXULOQDDNOSAS-AAEUAGOBSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200412 952495204 /nfs/dbraw/zinc/49/52/04/952495204.db2.gz JDAQPPKPGHDGMZ-RYUDHWBXSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575200686 952498254 /nfs/dbraw/zinc/49/82/54/952498254.db2.gz KOVCQIJTEWWDHQ-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575200686 952498258 /nfs/dbraw/zinc/49/82/58/952498258.db2.gz KOVCQIJTEWWDHQ-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM COc1cccc(OC)c1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571120047 952499305 /nfs/dbraw/zinc/49/93/05/952499305.db2.gz IORGFJBDKRRLSA-UHFFFAOYSA-N -1 3 376.398 0.757 20 0 GCADHM COc1cccc(OC)c1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571120047 952499311 /nfs/dbraw/zinc/49/93/11/952499311.db2.gz IORGFJBDKRRLSA-UHFFFAOYSA-N -1 3 376.398 0.757 20 0 GCADHM COc1ncc(NC(=O)N2CCN(CCO)C(C)(C)C2)cc1-c1nnn[n-]1 ZINC001571120179 952500600 /nfs/dbraw/zinc/50/06/00/952500600.db2.gz KODNROLLAJBWKV-UHFFFAOYSA-N -1 3 376.421 0.191 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575201521 952505328 /nfs/dbraw/zinc/50/53/28/952505328.db2.gz PQYZMNNATLAOKS-GXTWGEPZSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575201521 952505333 /nfs/dbraw/zinc/50/53/33/952505333.db2.gz PQYZMNNATLAOKS-GXTWGEPZSA-N -1 3 381.444 0.569 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2cc(Cl)c(=O)[nH]n2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571120704 952506365 /nfs/dbraw/zinc/50/63/65/952506365.db2.gz OFZHZOXWYHMEFP-KNVOCYPGSA-N -1 3 375.780 0.717 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2cc(Cl)c(=O)[nH]n2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571120704 952506372 /nfs/dbraw/zinc/50/63/72/952506372.db2.gz OFZHZOXWYHMEFP-KNVOCYPGSA-N -1 3 375.780 0.717 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575201670 952506400 /nfs/dbraw/zinc/50/64/00/952506400.db2.gz KCLQEQTZLHSROZ-AAEUAGOBSA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575201670 952506405 /nfs/dbraw/zinc/50/64/05/952506405.db2.gz KCLQEQTZLHSROZ-AAEUAGOBSA-N -1 3 382.432 0.296 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](CO)[C@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC001571120775 952508394 /nfs/dbraw/zinc/50/83/94/952508394.db2.gz QZVDOYSUFFDTQX-JSGCOSHPSA-N -1 3 376.417 0.462 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](CO)[C@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC001571120775 952508402 /nfs/dbraw/zinc/50/84/02/952508402.db2.gz QZVDOYSUFFDTQX-JSGCOSHPSA-N -1 3 376.417 0.462 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)s1)[C@@H]1COCCN1CC(F)(F)F ZINC001571120948 952512238 /nfs/dbraw/zinc/51/22/38/952512238.db2.gz SGBNDKVIGDBYNY-VIFPVBQESA-N -1 3 376.364 0.808 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575202287 952512218 /nfs/dbraw/zinc/51/22/18/952512218.db2.gz VCPFYKSMJHCRDO-NWDGAFQWSA-N -1 3 382.432 0.201 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575202287 952512222 /nfs/dbraw/zinc/51/22/22/952512222.db2.gz VCPFYKSMJHCRDO-NWDGAFQWSA-N -1 3 382.432 0.201 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575202463 952513175 /nfs/dbraw/zinc/51/31/75/952513175.db2.gz OEEKLNCQCLJTOO-NWDGAFQWSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575202463 952513180 /nfs/dbraw/zinc/51/31/80/952513180.db2.gz OEEKLNCQCLJTOO-NWDGAFQWSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001575203066 952518447 /nfs/dbraw/zinc/51/84/47/952518447.db2.gz ZHDOHGKJTCWHCI-LLVKDONJSA-N -1 3 387.423 0.883 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001575203066 952518450 /nfs/dbraw/zinc/51/84/50/952518450.db2.gz ZHDOHGKJTCWHCI-LLVKDONJSA-N -1 3 387.423 0.883 20 0 GCADHM Cc1ccncc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571121321 952519448 /nfs/dbraw/zinc/51/94/48/952519448.db2.gz YIXMTPDPGIRGLG-HOTGVXAUSA-N -1 3 376.424 0.997 20 0 GCADHM Cc1ccncc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571121321 952519452 /nfs/dbraw/zinc/51/94/52/952519452.db2.gz YIXMTPDPGIRGLG-HOTGVXAUSA-N -1 3 376.424 0.997 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575203399 952521493 /nfs/dbraw/zinc/52/14/93/952521493.db2.gz VZORFAIBNXHKPS-DGCLKSJQSA-N -1 3 382.432 0.296 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575203399 952521498 /nfs/dbraw/zinc/52/14/98/952521498.db2.gz VZORFAIBNXHKPS-DGCLKSJQSA-N -1 3 382.432 0.296 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575203447 952523018 /nfs/dbraw/zinc/52/30/18/952523018.db2.gz XGYLCKQNZRMBKG-YPMHNXCESA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575203401 952523116 /nfs/dbraw/zinc/52/31/16/952523116.db2.gz VZORFAIBNXHKPS-YPMHNXCESA-N -1 3 382.432 0.296 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575203401 952523119 /nfs/dbraw/zinc/52/31/19/952523119.db2.gz VZORFAIBNXHKPS-YPMHNXCESA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575203535 952524256 /nfs/dbraw/zinc/52/42/56/952524256.db2.gz ZIVLDASIGPMWBK-MISXGVKJSA-N -1 3 382.432 0.517 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575203535 952524257 /nfs/dbraw/zinc/52/42/57/952524257.db2.gz ZIVLDASIGPMWBK-MISXGVKJSA-N -1 3 382.432 0.517 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571123068 952527877 /nfs/dbraw/zinc/52/78/77/952527877.db2.gz NNPIVAKBFFFXND-LLVKDONJSA-N -1 3 376.446 0.053 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571123068 952527880 /nfs/dbraw/zinc/52/78/80/952527880.db2.gz NNPIVAKBFFFXND-LLVKDONJSA-N -1 3 376.446 0.053 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571123139 952528819 /nfs/dbraw/zinc/52/88/19/952528819.db2.gz QCYRACJVETWSOF-NEPJUHHUSA-N -1 3 376.442 0.382 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575206830 952532281 /nfs/dbraw/zinc/53/22/81/952532281.db2.gz MIJQMKXAXJOFMQ-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NCCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575206830 952532285 /nfs/dbraw/zinc/53/22/85/952532285.db2.gz MIJQMKXAXJOFMQ-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM Cn1nccc1[C@H](O)CNC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001571124115 952533912 /nfs/dbraw/zinc/53/39/12/952533912.db2.gz ZCNRRULIVKQWKI-CYBMUJFWSA-N -1 3 376.808 0.786 20 0 GCADHM Cn1nccc1[C@H](O)CNC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001571124115 952533916 /nfs/dbraw/zinc/53/39/16/952533916.db2.gz ZCNRRULIVKQWKI-CYBMUJFWSA-N -1 3 376.808 0.786 20 0 GCADHM C[C@@](Cn1cccn1)(NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C(N)=O ZINC001575207862 952536427 /nfs/dbraw/zinc/53/64/27/952536427.db2.gz UORAADLWXNJNHB-INIZCTEOSA-N -1 3 392.370 0.698 20 0 GCADHM C[C@@](Cn1cccn1)(NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C(N)=O ZINC001575207862 952536433 /nfs/dbraw/zinc/53/64/33/952536433.db2.gz UORAADLWXNJNHB-INIZCTEOSA-N -1 3 392.370 0.698 20 0 GCADHM CC(F)(F)C(=O)N1CC2(C1)CCCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001575207964 952536966 /nfs/dbraw/zinc/53/69/66/952536966.db2.gz XKMKBNBPYSWCPC-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)C(=O)N1CC2(C1)CCCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001575207964 952536973 /nfs/dbraw/zinc/53/69/73/952536973.db2.gz XKMKBNBPYSWCPC-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001575210685 952541477 /nfs/dbraw/zinc/54/14/77/952541477.db2.gz FVLDLQIWFKRCGJ-VIFPVBQESA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001575210685 952541485 /nfs/dbraw/zinc/54/14/85/952541485.db2.gz FVLDLQIWFKRCGJ-VIFPVBQESA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575210868 952542995 /nfs/dbraw/zinc/54/29/95/952542995.db2.gz JJTNOMIQXZOLLH-LBPRGKRZSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575210868 952543003 /nfs/dbraw/zinc/54/30/03/952543003.db2.gz JJTNOMIQXZOLLH-LBPRGKRZSA-N -1 3 384.362 0.978 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC1(F)F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571124745 952544331 /nfs/dbraw/zinc/54/43/31/952544331.db2.gz SUXTYFLZMBOJCW-KLBPJQLPSA-N -1 3 377.355 0.712 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC1(F)F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571124745 952544334 /nfs/dbraw/zinc/54/43/34/952544334.db2.gz SUXTYFLZMBOJCW-KLBPJQLPSA-N -1 3 377.355 0.712 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)[C@H]1C[C@@H]1C(F)F ZINC001571124748 952544406 /nfs/dbraw/zinc/54/44/06/952544406.db2.gz SVYHQWDBCFNOMG-DADSOTLSSA-N -1 3 377.355 0.283 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)[C@H]1C[C@@H]1C(F)F ZINC001571124748 952544411 /nfs/dbraw/zinc/54/44/11/952544411.db2.gz SVYHQWDBCFNOMG-DADSOTLSSA-N -1 3 377.355 0.283 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)Nc1cccc(F)c1 ZINC001571125064 952547812 /nfs/dbraw/zinc/54/78/12/952547812.db2.gz ZMLDTMCDMGALTN-UHFFFAOYSA-N -1 3 377.361 0.318 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)Nc1cccc(F)c1 ZINC001571125064 952547815 /nfs/dbraw/zinc/54/78/15/952547815.db2.gz ZMLDTMCDMGALTN-UHFFFAOYSA-N -1 3 377.361 0.318 20 0 GCADHM O=C(c1ncccn1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571126936 952547984 /nfs/dbraw/zinc/54/79/84/952547984.db2.gz ADGUWNDUENVYDN-UONOGXRCSA-N -1 3 377.412 0.793 20 0 GCADHM O=C(c1ncccn1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571126936 952547986 /nfs/dbraw/zinc/54/79/86/952547986.db2.gz ADGUWNDUENVYDN-UONOGXRCSA-N -1 3 377.412 0.793 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575212231 952552222 /nfs/dbraw/zinc/55/22/22/952552222.db2.gz FSNUIYZDVROXLU-CABZTGNLSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575212231 952552226 /nfs/dbraw/zinc/55/22/26/952552226.db2.gz FSNUIYZDVROXLU-CABZTGNLSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575212236 952552299 /nfs/dbraw/zinc/55/22/99/952552299.db2.gz FSNUIYZDVROXLU-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575212236 952552304 /nfs/dbraw/zinc/55/23/04/952552304.db2.gz FSNUIYZDVROXLU-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC[C@H]21 ZINC001575212291 952552748 /nfs/dbraw/zinc/55/27/48/952552748.db2.gz GPKRGMUNVVYOFB-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC[C@H]21 ZINC001575212291 952552754 /nfs/dbraw/zinc/55/27/54/952552754.db2.gz GPKRGMUNVVYOFB-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2)c1ccncn1 ZINC001571127285 952552899 /nfs/dbraw/zinc/55/28/99/952552899.db2.gz IMWOEMAFZQSJOE-UGSOOPFHSA-N -1 3 377.412 0.841 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2)c1ccncn1 ZINC001571127285 952552902 /nfs/dbraw/zinc/55/29/02/952552902.db2.gz IMWOEMAFZQSJOE-UGSOOPFHSA-N -1 3 377.412 0.841 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575212627 952554552 /nfs/dbraw/zinc/55/45/52/952554552.db2.gz MJYVACZZKZPPBZ-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575212627 952554555 /nfs/dbraw/zinc/55/45/55/952554555.db2.gz MJYVACZZKZPPBZ-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC1CC(CS(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001571127575 952557674 /nfs/dbraw/zinc/55/76/74/952557674.db2.gz IUAXZFXBZALNFF-UHFFFAOYSA-N -1 3 377.474 0.760 20 0 GCADHM CC1CC(CS(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001571127575 952557676 /nfs/dbraw/zinc/55/76/76/952557676.db2.gz IUAXZFXBZALNFF-UHFFFAOYSA-N -1 3 377.474 0.760 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(c1ncccc1-c1nnn[n-]1)CC2)c1ncccn1 ZINC001571127799 952558906 /nfs/dbraw/zinc/55/89/06/952558906.db2.gz NONDVYBEPNRNAI-SCLBCKFNSA-N -1 3 377.412 0.983 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(c1ncccc1-c1nn[n-]n1)CC2)c1ncccn1 ZINC001571127799 952558910 /nfs/dbraw/zinc/55/89/10/952558910.db2.gz NONDVYBEPNRNAI-SCLBCKFNSA-N -1 3 377.412 0.983 20 0 GCADHM Cc1nnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1 ZINC001571127759 952559509 /nfs/dbraw/zinc/55/95/09/952559509.db2.gz MRIOLQPYNFATJG-YUELXQCFSA-N -1 3 377.412 0.900 20 0 GCADHM Cc1nnccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1 ZINC001571127759 952559511 /nfs/dbraw/zinc/55/95/11/952559511.db2.gz MRIOLQPYNFATJG-YUELXQCFSA-N -1 3 377.412 0.900 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(c1ncccc1-c1nnn[n-]1)CC2)c1ncccn1 ZINC001571127797 952559698 /nfs/dbraw/zinc/55/96/98/952559698.db2.gz NONDVYBEPNRNAI-ACJLOTCBSA-N -1 3 377.412 0.983 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(c1ncccc1-c1nn[n-]n1)CC2)c1ncccn1 ZINC001571127797 952559703 /nfs/dbraw/zinc/55/97/03/952559703.db2.gz NONDVYBEPNRNAI-ACJLOTCBSA-N -1 3 377.412 0.983 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2)c1cccnn1 ZINC001571127823 952560918 /nfs/dbraw/zinc/56/09/18/952560918.db2.gz OIMIWLQLYYMLMN-OAHLLOKOSA-N -1 3 377.412 0.841 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2)c1cccnn1 ZINC001571127823 952560920 /nfs/dbraw/zinc/56/09/20/952560920.db2.gz OIMIWLQLYYMLMN-OAHLLOKOSA-N -1 3 377.412 0.841 20 0 GCADHM CC(F)(F)C(=O)N1CCOC2(CN(Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001575214323 952562186 /nfs/dbraw/zinc/56/21/86/952562186.db2.gz WTHAYCDMGJCKNN-UHFFFAOYSA-N -1 3 378.383 0.935 20 0 GCADHM CC(F)(F)C(=O)N1CCOC2(CN(Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001575214323 952562189 /nfs/dbraw/zinc/56/21/89/952562189.db2.gz WTHAYCDMGJCKNN-UHFFFAOYSA-N -1 3 378.383 0.935 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001575214128 952562652 /nfs/dbraw/zinc/56/26/52/952562652.db2.gz IHURQVMFGVXKIE-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001575214128 952562659 /nfs/dbraw/zinc/56/26/59/952562659.db2.gz IHURQVMFGVXKIE-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575214577 952564924 /nfs/dbraw/zinc/56/49/24/952564924.db2.gz ZEFKPSFKHAFKTR-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575214577 952564930 /nfs/dbraw/zinc/56/49/30/952564930.db2.gz ZEFKPSFKHAFKTR-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575214893 952566498 /nfs/dbraw/zinc/56/64/98/952566498.db2.gz PAAWXWGQUCOWCS-QMMMGPOBSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575214893 952566502 /nfs/dbraw/zinc/56/65/02/952566502.db2.gz PAAWXWGQUCOWCS-QMMMGPOBSA-N -1 3 385.375 0.083 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571128487 952566876 /nfs/dbraw/zinc/56/68/76/952566876.db2.gz UUHAHGAYFATJBR-GJZGRUSLSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571128487 952566881 /nfs/dbraw/zinc/56/68/81/952566881.db2.gz UUHAHGAYFATJBR-GJZGRUSLSA-N -1 3 377.412 0.935 20 0 GCADHM Cc1nsc(N(C)[C@@H]2CCN(C(=O)c3cnsn3)C2)c1-c1nnn[n-]1 ZINC001571128742 952569796 /nfs/dbraw/zinc/56/97/96/952569796.db2.gz XGYYJVKGXHYYNS-MRVPVSSYSA-N -1 3 377.459 0.834 20 0 GCADHM Cc1cccnc1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571129158 952572769 /nfs/dbraw/zinc/57/27/69/952572769.db2.gz AGHSOIYNQWPHBC-JYAVWHMHSA-N -1 3 378.396 0.399 20 0 GCADHM 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/nfs/dbraw/zinc/65/14/48/952651448.db2.gz LIIXUVIUQUSFHL-CABCVRRESA-N -1 3 379.428 0.998 20 0 GCADHM O=C(Cn1ccnc1)NC1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001571146890 952654680 /nfs/dbraw/zinc/65/46/80/952654680.db2.gz OVZQVWCGWIJYRW-AGUYFDCRSA-N -1 3 379.428 0.774 20 0 GCADHM O=C(Cn1ccnc1)NC1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001571146890 952654686 /nfs/dbraw/zinc/65/46/86/952654686.db2.gz OVZQVWCGWIJYRW-AGUYFDCRSA-N -1 3 379.428 0.774 20 0 GCADHM Cc1n[nH]cc1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@]2(C)C1 ZINC001571146961 952655282 /nfs/dbraw/zinc/65/52/82/952655282.db2.gz DSYSNNIHDJZIFT-XIKOKIGWSA-N -1 3 379.428 0.892 20 0 GCADHM Cc1n[nH]cc1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@]2(C)C1 ZINC001571146961 952655285 /nfs/dbraw/zinc/65/52/85/952655285.db2.gz DSYSNNIHDJZIFT-XIKOKIGWSA-N -1 3 379.428 0.892 20 0 GCADHM O=C(Cn1cccn1)N1CC[C@H]2[C@@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001571147034 952656917 /nfs/dbraw/zinc/65/69/17/952656917.db2.gz QOMDGAZUQBQRJM-ZFWWWQNUSA-N -1 3 379.428 0.586 20 0 GCADHM O=C(Cn1cccn1)N1CC[C@H]2[C@@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001571147034 952656926 /nfs/dbraw/zinc/65/69/26/952656926.db2.gz QOMDGAZUQBQRJM-ZFWWWQNUSA-N -1 3 379.428 0.586 20 0 GCADHM CN(C)c1ncccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571147197 952658867 /nfs/dbraw/zinc/65/88/67/952658867.db2.gz IVONCESXYJZSNW-LBPRGKRZSA-N -1 3 379.428 0.731 20 0 GCADHM CN(C)c1ncccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571147197 952658870 /nfs/dbraw/zinc/65/88/70/952658870.db2.gz IVONCESXYJZSNW-LBPRGKRZSA-N -1 3 379.428 0.731 20 0 GCADHM O=C(CCn1ccnc1)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571147238 952658904 /nfs/dbraw/zinc/65/89/04/952658904.db2.gz UYLBZMKYYWPISD-OKILXGFUSA-N -1 3 379.428 0.443 20 0 GCADHM O=C(CCn1ccnc1)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571147238 952658907 /nfs/dbraw/zinc/65/89/07/952658907.db2.gz UYLBZMKYYWPISD-OKILXGFUSA-N -1 3 379.428 0.443 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3cnc4n3CCC4)C2)ccc1-c1nnn[n-]1 ZINC001571147415 952660763 /nfs/dbraw/zinc/66/07/63/952660763.db2.gz XGWHPUHBRHLYIJ-GFCCVEGCSA-N -1 3 379.428 0.722 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3cnc4n3CCC4)C2)ccc1-c1nn[n-]n1 ZINC001571147415 952660768 /nfs/dbraw/zinc/66/07/68/952660768.db2.gz XGWHPUHBRHLYIJ-GFCCVEGCSA-N -1 3 379.428 0.722 20 0 GCADHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001571150466 952668261 /nfs/dbraw/zinc/66/82/61/952668261.db2.gz BIELDTGKHLEWOE-LLVKDONJSA-N -1 3 379.446 0.143 20 0 GCADHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001571150466 952668265 /nfs/dbraw/zinc/66/82/65/952668265.db2.gz BIELDTGKHLEWOE-LLVKDONJSA-N -1 3 379.446 0.143 20 0 GCADHM CC(=O)NC1CCC(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571151632 952676718 /nfs/dbraw/zinc/67/67/18/952676718.db2.gz SDYOBAMBQIVRKS-UHFFFAOYSA-N -1 3 379.446 0.330 20 0 GCADHM CC(=O)NC1CCC(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571151632 952676724 /nfs/dbraw/zinc/67/67/24/952676724.db2.gz SDYOBAMBQIVRKS-UHFFFAOYSA-N -1 3 379.446 0.330 20 0 GCADHM NC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001571152034 952680896 /nfs/dbraw/zinc/68/08/96/952680896.db2.gz BMVSFINTBAZKDX-SSDOTTSWSA-N -1 3 380.206 0.512 20 0 GCADHM NC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001571152034 952680899 /nfs/dbraw/zinc/68/08/99/952680899.db2.gz BMVSFINTBAZKDX-SSDOTTSWSA-N -1 3 380.206 0.512 20 0 GCADHM C[C@H]1CN(C(=O)COc2cccnc2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571155015 952691220 /nfs/dbraw/zinc/69/12/20/952691220.db2.gz DTTYVXISBVWJJD-LRDDRELGSA-N -1 3 380.412 0.995 20 0 GCADHM C[C@H]1CN(C(=O)COc2cccnc2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571155015 952691221 /nfs/dbraw/zinc/69/12/21/952691221.db2.gz DTTYVXISBVWJJD-LRDDRELGSA-N -1 3 380.412 0.995 20 0 GCADHM CN(C(=O)c1ccn(C)c(=O)c1)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571155143 952692163 /nfs/dbraw/zinc/69/21/63/952692163.db2.gz IWWHBRDGCSFQQQ-ZDUSSCGKSA-N -1 3 380.412 0.311 20 0 GCADHM CN(C(=O)c1ccn(C)c(=O)c1)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571155143 952692166 /nfs/dbraw/zinc/69/21/66/952692166.db2.gz IWWHBRDGCSFQQQ-ZDUSSCGKSA-N -1 3 380.412 0.311 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571155093 952692566 /nfs/dbraw/zinc/69/25/66/952692566.db2.gz HNVMHAJEVAQWAA-ZDUSSCGKSA-N -1 3 380.412 0.773 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571155093 952692568 /nfs/dbraw/zinc/69/25/68/952692568.db2.gz HNVMHAJEVAQWAA-ZDUSSCGKSA-N -1 3 380.412 0.773 20 0 GCADHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)CNC(=O)c1ccccc1 ZINC001571155178 952693730 /nfs/dbraw/zinc/69/37/30/952693730.db2.gz JWPFJDXFNLQPDG-INIZCTEOSA-N -1 3 380.408 0.789 20 0 GCADHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)CNC(=O)c1ccccc1 ZINC001571155178 952693736 /nfs/dbraw/zinc/69/37/36/952693736.db2.gz JWPFJDXFNLQPDG-INIZCTEOSA-N -1 3 380.408 0.789 20 0 GCADHM CNC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001571155303 952694718 /nfs/dbraw/zinc/69/47/18/952694718.db2.gz NKGNPMUQBAGMHA-MRXNPFEDSA-N -1 3 380.408 0.719 20 0 GCADHM CNC(=O)[C@@H](Cc1ccccc1)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001571155303 952694721 /nfs/dbraw/zinc/69/47/21/952694721.db2.gz NKGNPMUQBAGMHA-MRXNPFEDSA-N -1 3 380.408 0.719 20 0 GCADHM CCc1ccnc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571155699 952698867 /nfs/dbraw/zinc/69/88/67/952698867.db2.gz XXJHYKIPKYSGEH-CYBMUJFWSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1ccnc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571155699 952698869 /nfs/dbraw/zinc/69/88/69/952698869.db2.gz XXJHYKIPKYSGEH-CYBMUJFWSA-N -1 3 380.412 0.797 20 0 GCADHM Cc1ccnc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571156841 952705389 /nfs/dbraw/zinc/70/53/89/952705389.db2.gz KZVBKHGNDADMTF-ZDUSSCGKSA-N -1 3 379.428 0.959 20 0 GCADHM Cc1ccnc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571156841 952705391 /nfs/dbraw/zinc/70/53/91/952705391.db2.gz KZVBKHGNDADMTF-ZDUSSCGKSA-N -1 3 379.428 0.959 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](CN(C)c3ncccc3-c3nnn[n-]3)C2)cnn1 ZINC001571156861 952705400 /nfs/dbraw/zinc/70/54/00/952705400.db2.gz LUMGRGJQLKHRIB-CYBMUJFWSA-N -1 3 379.428 0.959 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)cnn1 ZINC001571156861 952705404 /nfs/dbraw/zinc/70/54/04/952705404.db2.gz LUMGRGJQLKHRIB-CYBMUJFWSA-N -1 3 379.428 0.959 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001571157891 952707751 /nfs/dbraw/zinc/70/77/51/952707751.db2.gz BOOIUVPFRIHSRF-WCQYABFASA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001571157891 952707758 /nfs/dbraw/zinc/70/77/58/952707758.db2.gz BOOIUVPFRIHSRF-WCQYABFASA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001571157892 952707781 /nfs/dbraw/zinc/70/77/81/952707781.db2.gz BOOIUVPFRIHSRF-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001571157892 952707783 /nfs/dbraw/zinc/70/77/83/952707783.db2.gz BOOIUVPFRIHSRF-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC(NC(=O)c2ccnc(C)n2)C1 ZINC001571157905 952708149 /nfs/dbraw/zinc/70/81/49/952708149.db2.gz CGEKDCYJHCHKRX-UHFFFAOYSA-N -1 3 380.412 0.588 20 0 GCADHM Cc1cnc(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)nc1 ZINC001571158050 952708960 /nfs/dbraw/zinc/70/89/60/952708960.db2.gz QJLANJVSPUZHAY-IUODEOHRSA-N -1 3 379.428 0.640 20 0 GCADHM Cc1cnc(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)nc1 ZINC001571158050 952708964 /nfs/dbraw/zinc/70/89/64/952708964.db2.gz QJLANJVSPUZHAY-IUODEOHRSA-N -1 3 379.428 0.640 20 0 GCADHM Cc1[nH]ccc1C(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001571158250 952710164 /nfs/dbraw/zinc/71/01/64/952710164.db2.gz FWABAAPSLZDUMH-UHFFFAOYSA-N -1 3 380.412 0.820 20 0 GCADHM Cc1[nH]ccc1C(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571158250 952710165 /nfs/dbraw/zinc/71/01/65/952710165.db2.gz FWABAAPSLZDUMH-UHFFFAOYSA-N -1 3 380.412 0.820 20 0 GCADHM Cc1c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)ccn1C ZINC001571158201 952710279 /nfs/dbraw/zinc/71/02/79/952710279.db2.gz DSJKYWKRTIXRGJ-JYAVWHMHSA-N -1 3 380.412 0.342 20 0 GCADHM Cc1c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)ccn1C ZINC001571158201 952710282 /nfs/dbraw/zinc/71/02/82/952710282.db2.gz DSJKYWKRTIXRGJ-JYAVWHMHSA-N -1 3 380.412 0.342 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C)n1 ZINC001571158457 952710877 /nfs/dbraw/zinc/71/08/77/952710877.db2.gz IFOOJPRHOLZMMB-JOCQHMNTSA-N -1 3 380.412 0.897 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C)n1 ZINC001571158457 952710882 /nfs/dbraw/zinc/71/08/82/952710882.db2.gz IFOOJPRHOLZMMB-JOCQHMNTSA-N -1 3 380.412 0.897 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)ccn1 ZINC001571158449 952710980 /nfs/dbraw/zinc/71/09/80/952710980.db2.gz HVFFKLGLSDKUND-ZDUSSCGKSA-N -1 3 380.412 0.982 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)ccn1 ZINC001571158449 952710983 /nfs/dbraw/zinc/71/09/83/952710983.db2.gz HVFFKLGLSDKUND-ZDUSSCGKSA-N -1 3 380.412 0.982 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)cn1 ZINC001571158445 952711121 /nfs/dbraw/zinc/71/11/21/952711121.db2.gz HUXGVMUINZRLDJ-GJZGRUSLSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)cn1 ZINC001571158445 952711127 /nfs/dbraw/zinc/71/11/27/952711127.db2.gz HUXGVMUINZRLDJ-GJZGRUSLSA-N -1 3 380.412 0.335 20 0 GCADHM COc1ccc(CN2CC(NC(=O)c3cncnc3C)C2)cc1-c1nnn[n-]1 ZINC001571158479 952712835 /nfs/dbraw/zinc/71/28/35/952712835.db2.gz IYZMHYKALDMYHG-UHFFFAOYSA-N -1 3 380.412 0.588 20 0 GCADHM COc1ccc(CN2CC(NC(=O)c3cncnc3C)C2)cc1-c1nn[n-]n1 ZINC001571158479 952712837 /nfs/dbraw/zinc/71/28/37/952712837.db2.gz IYZMHYKALDMYHG-UHFFFAOYSA-N -1 3 380.412 0.588 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)c[nH]1 ZINC001571158976 952716005 /nfs/dbraw/zinc/71/60/05/952716005.db2.gz OJULONXQHGRMLC-LBPRGKRZSA-N -1 3 380.412 0.657 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)c[nH]1 ZINC001571158976 952716008 /nfs/dbraw/zinc/71/60/08/952716008.db2.gz OJULONXQHGRMLC-LBPRGKRZSA-N -1 3 380.412 0.657 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)cn3)CC2)c[nH]1 ZINC001571159014 952717531 /nfs/dbraw/zinc/71/75/31/952717531.db2.gz PFNRDDCNXRGANB-UHFFFAOYSA-N -1 3 380.412 0.975 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)cn3)CC2)c[nH]1 ZINC001571159014 952717536 /nfs/dbraw/zinc/71/75/36/952717536.db2.gz PFNRDDCNXRGANB-UHFFFAOYSA-N -1 3 380.412 0.975 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571159556 952720511 /nfs/dbraw/zinc/72/05/11/952720511.db2.gz XXSGRRBEJIRTGV-VXGBXAGGSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571159556 952720515 /nfs/dbraw/zinc/72/05/15/952720515.db2.gz XXSGRRBEJIRTGV-VXGBXAGGSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571159553 952720701 /nfs/dbraw/zinc/72/07/01/952720701.db2.gz XXSGRRBEJIRTGV-NEPJUHHUSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571159553 952720704 /nfs/dbraw/zinc/72/07/04/952720704.db2.gz XXSGRRBEJIRTGV-NEPJUHHUSA-N -1 3 380.412 0.931 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)ccc1=O ZINC001571160070 952723325 /nfs/dbraw/zinc/72/33/25/952723325.db2.gz CLLYTQCLUFBTGA-AWEZNQCLSA-N -1 3 380.412 0.677 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)ccc1=O ZINC001571160070 952723327 /nfs/dbraw/zinc/72/33/27/952723327.db2.gz CLLYTQCLUFBTGA-AWEZNQCLSA-N -1 3 380.412 0.677 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2ccccn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571160083 952723335 /nfs/dbraw/zinc/72/33/35/952723335.db2.gz DEINJAGWHVCTJC-GFCCVEGCSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2ccccn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571160083 952723338 /nfs/dbraw/zinc/72/33/38/952723338.db2.gz DEINJAGWHVCTJC-GFCCVEGCSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1)c1ccncc1 ZINC001571160283 952725495 /nfs/dbraw/zinc/72/54/95/952725495.db2.gz GKLVYEYKICLUFQ-HNNXBMFYSA-N -1 3 380.412 0.682 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1)c1ccncc1 ZINC001571160283 952725498 /nfs/dbraw/zinc/72/54/98/952725498.db2.gz GKLVYEYKICLUFQ-HNNXBMFYSA-N -1 3 380.412 0.682 20 0 GCADHM Cc1cnccc1C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571160782 952728596 /nfs/dbraw/zinc/72/85/96/952728596.db2.gz LZKFEMDTNVGVHS-CQSZACIVSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1cnccc1C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571160782 952728602 /nfs/dbraw/zinc/72/86/02/952728602.db2.gz LZKFEMDTNVGVHS-CQSZACIVSA-N -1 3 380.412 0.918 20 0 GCADHM Cn1cccc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571160867 952728849 /nfs/dbraw/zinc/72/88/49/952728849.db2.gz NQRYOBQKIDQZIO-XYYAHUGASA-N -1 3 380.412 0.281 20 0 GCADHM Cn1cccc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571160867 952728854 /nfs/dbraw/zinc/72/88/54/952728854.db2.gz NQRYOBQKIDQZIO-XYYAHUGASA-N -1 3 380.412 0.281 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@@H]2[C@@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001571160846 952728921 /nfs/dbraw/zinc/72/89/21/952728921.db2.gz MZVDLJHSKAXQGV-SWLSCSKDSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@@H]2[C@@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001571160846 952728925 /nfs/dbraw/zinc/72/89/25/952728925.db2.gz MZVDLJHSKAXQGV-SWLSCSKDSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001571160994 952729507 /nfs/dbraw/zinc/72/95/07/952729507.db2.gz OJDFQDHUGGAHHV-GFCCVEGCSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001571160994 952729513 /nfs/dbraw/zinc/72/95/13/952729513.db2.gz OJDFQDHUGGAHHV-GFCCVEGCSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2ccncc2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571160969 952729815 /nfs/dbraw/zinc/72/98/15/952729815.db2.gz OBQSVOUOEMHPLF-BXUZGUMPSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2ccncc2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571160969 952729826 /nfs/dbraw/zinc/72/98/26/952729826.db2.gz OBQSVOUOEMHPLF-BXUZGUMPSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2ccncc2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571160976 952730253 /nfs/dbraw/zinc/73/02/53/952730253.db2.gz OBQSVOUOEMHPLF-SMDDNHRTSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2ccncc2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571160976 952730260 /nfs/dbraw/zinc/73/02/60/952730260.db2.gz OBQSVOUOEMHPLF-SMDDNHRTSA-N -1 3 380.412 0.918 20 0 GCADHM Cn1cccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)c1=O ZINC001571161406 952731507 /nfs/dbraw/zinc/73/15/07/952731507.db2.gz UWYPQJVRRJRSJA-CYBMUJFWSA-N -1 3 380.412 0.677 20 0 GCADHM Cn1cccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)c1=O ZINC001571161406 952731509 /nfs/dbraw/zinc/73/15/09/952731509.db2.gz UWYPQJVRRJRSJA-CYBMUJFWSA-N -1 3 380.412 0.677 20 0 GCADHM Cc1cncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)c1 ZINC001571161398 952731650 /nfs/dbraw/zinc/73/16/50/952731650.db2.gz UTJQNIQLIYAORL-OAHLLOKOSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1cncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)c1 ZINC001571161398 952731655 /nfs/dbraw/zinc/73/16/55/952731655.db2.gz UTJQNIQLIYAORL-OAHLLOKOSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1cnccc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001571161273 952731693 /nfs/dbraw/zinc/73/16/93/952731693.db2.gz UBTCEECMTYTKMI-HOCLYGCPSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1cnccc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001571161273 952731699 /nfs/dbraw/zinc/73/16/99/952731699.db2.gz UBTCEECMTYTKMI-HOCLYGCPSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1cncc(CC(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571161431 952732990 /nfs/dbraw/zinc/73/29/90/952732990.db2.gz VNRORUNMBMIYSK-JOCQHMNTSA-N -1 3 380.412 0.518 20 0 GCADHM Cc1cncc(CC(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571161431 952732996 /nfs/dbraw/zinc/73/29/96/952732996.db2.gz VNRORUNMBMIYSK-JOCQHMNTSA-N -1 3 380.412 0.518 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNC(=O)c2ccncc2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571161475 952733117 /nfs/dbraw/zinc/73/31/17/952733117.db2.gz WVFPWJGNZGQYNZ-BXUZGUMPSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNC(=O)c2ccncc2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571161475 952733121 /nfs/dbraw/zinc/73/31/21/952733121.db2.gz WVFPWJGNZGQYNZ-BXUZGUMPSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571161632 952734117 /nfs/dbraw/zinc/73/41/17/952734117.db2.gz ZFEGZXXCYFOAKL-UHFFFAOYSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571161632 952734120 /nfs/dbraw/zinc/73/41/20/952734120.db2.gz ZFEGZXXCYFOAKL-UHFFFAOYSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(Cc1cccnc1)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571161640 952734473 /nfs/dbraw/zinc/73/44/73/952734473.db2.gz ZLNQQCZUMIEANI-CYBMUJFWSA-N -1 3 380.412 0.411 20 0 GCADHM O=C(Cc1cccnc1)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571161640 952734478 /nfs/dbraw/zinc/73/44/78/952734478.db2.gz ZLNQQCZUMIEANI-CYBMUJFWSA-N -1 3 380.412 0.411 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nnn[n-]2)[nH]n1 ZINC001571162080 952738296 /nfs/dbraw/zinc/73/82/96/952738296.db2.gz JJTFFUHKPHQOAC-STQMWFEESA-N -1 3 380.416 0.572 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nn[n-]n2)[nH]n1 ZINC001571162080 952738298 /nfs/dbraw/zinc/73/82/98/952738298.db2.gz JJTFFUHKPHQOAC-STQMWFEESA-N -1 3 380.416 0.572 20 0 GCADHM C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571162113 952738570 /nfs/dbraw/zinc/73/85/70/952738570.db2.gz KMZFMSOGBVDZKG-MNOVXSKESA-N -1 3 380.416 0.454 20 0 GCADHM C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571162113 952738577 /nfs/dbraw/zinc/73/85/77/952738577.db2.gz KMZFMSOGBVDZKG-MNOVXSKESA-N -1 3 380.416 0.454 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571162179 952740120 /nfs/dbraw/zinc/74/01/20/952740120.db2.gz MXGJSLAZOGNGRB-YMTOWFKASA-N -1 3 380.416 0.830 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)[nH]n1 ZINC001571162734 952746363 /nfs/dbraw/zinc/74/63/63/952746363.db2.gz YTAFGOLXCSWKJN-SMDDNHRTSA-N -1 3 380.416 0.429 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)[nH]n1 ZINC001571162734 952746364 /nfs/dbraw/zinc/74/63/64/952746364.db2.gz YTAFGOLXCSWKJN-SMDDNHRTSA-N -1 3 380.416 0.429 20 0 GCADHM O=C(Cn1cc(C2CC2)nn1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571165027 952746921 /nfs/dbraw/zinc/74/69/21/952746921.db2.gz BEOSNECKWMEEAC-UHFFFAOYSA-N -1 3 380.416 0.079 20 0 GCADHM O=C(Cn1cc(C2CC2)nn1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571165027 952746926 /nfs/dbraw/zinc/74/69/26/952746926.db2.gz BEOSNECKWMEEAC-UHFFFAOYSA-N -1 3 380.416 0.079 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)c3nccnc3N)[C@@H]2C)ccc1-c1nnn[n-]1 ZINC001571165137 952747530 /nfs/dbraw/zinc/74/75/30/952747530.db2.gz CQQFGCMNJWQUEF-PWSUYJOCSA-N -1 3 380.416 0.657 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)c3nccnc3N)[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001571165137 952747537 /nfs/dbraw/zinc/74/75/37/952747537.db2.gz CQQFGCMNJWQUEF-PWSUYJOCSA-N -1 3 380.416 0.657 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@H]1CC12CCN(c1cnc(-c3nnn[n-]3)cn1)CC2 ZINC001571165102 952747679 /nfs/dbraw/zinc/74/76/79/952747679.db2.gz CBTZCXMGIWHRCV-ZDUSSCGKSA-N -1 3 380.416 0.098 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@H]1CC12CCN(c1cnc(-c3nn[n-]n3)cn1)CC2 ZINC001571165102 952747681 /nfs/dbraw/zinc/74/76/81/952747681.db2.gz CBTZCXMGIWHRCV-ZDUSSCGKSA-N -1 3 380.416 0.098 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571165482 952750258 /nfs/dbraw/zinc/75/02/58/952750258.db2.gz HVQVWFVUQKRZBO-UONOGXRCSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571165482 952750261 /nfs/dbraw/zinc/75/02/61/952750261.db2.gz HVQVWFVUQKRZBO-UONOGXRCSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571165483 952750495 /nfs/dbraw/zinc/75/04/95/952750495.db2.gz HVQVWFVUQKRZBO-ZIAGYGMSSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@@H]2[C@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571165483 952750500 /nfs/dbraw/zinc/75/05/00/952750500.db2.gz HVQVWFVUQKRZBO-ZIAGYGMSSA-N -1 3 380.416 0.192 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001571165651 952753842 /nfs/dbraw/zinc/75/38/42/952753842.db2.gz HJBLBZPUJPBJNG-XYPYZODXSA-N -1 3 380.430 0.963 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001571165651 952753845 /nfs/dbraw/zinc/75/38/45/952753845.db2.gz HJBLBZPUJPBJNG-XYPYZODXSA-N -1 3 380.430 0.963 20 0 GCADHM O=C(Cn1cncn1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571166090 952758147 /nfs/dbraw/zinc/75/81/47/952758147.db2.gz NIOHEXBDWOXAQW-SCRDCRAPSA-N -1 3 380.416 0.027 20 0 GCADHM O=C(Cn1cncn1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571166090 952758152 /nfs/dbraw/zinc/75/81/52/952758152.db2.gz NIOHEXBDWOXAQW-SCRDCRAPSA-N -1 3 380.416 0.027 20 0 GCADHM O=C(c1cc[nH]n1)N1CC[C@]2(C1)CCCN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571166191 952759637 /nfs/dbraw/zinc/75/96/37/952759637.db2.gz PPZAUHGRLMUVJW-QGZVFWFLSA-N -1 3 380.416 0.513 20 0 GCADHM O=C(c1cc[nH]n1)N1CC[C@]2(C1)CCCN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571166191 952759641 /nfs/dbraw/zinc/75/96/41/952759641.db2.gz PPZAUHGRLMUVJW-QGZVFWFLSA-N -1 3 380.416 0.513 20 0 GCADHM Cn1nncc1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571166468 952762391 /nfs/dbraw/zinc/76/23/91/952762391.db2.gz SDDGZKNBLQVFDD-KRWDZBQOSA-N -1 3 380.416 0.133 20 0 GCADHM Cn1nncc1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571166468 952762396 /nfs/dbraw/zinc/76/23/96/952762396.db2.gz SDDGZKNBLQVFDD-KRWDZBQOSA-N -1 3 380.416 0.133 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nc2)CC3)nn1 ZINC001571166761 952764022 /nfs/dbraw/zinc/76/40/22/952764022.db2.gz VLUHVTRCEKWWSB-AWEZNQCLSA-N -1 3 380.416 0.179 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nc2)CC3)nn1 ZINC001571166761 952764026 /nfs/dbraw/zinc/76/40/26/952764026.db2.gz VLUHVTRCEKWWSB-AWEZNQCLSA-N -1 3 380.416 0.179 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571166877 952766129 /nfs/dbraw/zinc/76/61/29/952766129.db2.gz YNVQIGQCHAGNEE-CXAGYDPISA-N -1 3 380.416 0.240 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571166877 952766132 /nfs/dbraw/zinc/76/61/32/952766132.db2.gz YNVQIGQCHAGNEE-CXAGYDPISA-N -1 3 380.416 0.240 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001571170000 952781496 /nfs/dbraw/zinc/78/14/96/952781496.db2.gz CCXIEPWAPBETSK-IAQYHMDHSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001571170000 952781499 /nfs/dbraw/zinc/78/14/99/952781499.db2.gz CCXIEPWAPBETSK-IAQYHMDHSA-N -1 3 381.400 0.393 20 0 GCADHM O=C(Cc1ccco1)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571170017 952782146 /nfs/dbraw/zinc/78/21/46/952782146.db2.gz CKWMOKKPDBIAAK-UHFFFAOYSA-N -1 3 381.396 0.705 20 0 GCADHM O=C(Cc1ccco1)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571170017 952782148 /nfs/dbraw/zinc/78/21/48/952782148.db2.gz CKWMOKKPDBIAAK-UHFFFAOYSA-N -1 3 381.396 0.705 20 0 GCADHM O=C(NC1CN(Cc2cccc3c2OCCO3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571170640 952787029 /nfs/dbraw/zinc/78/70/29/952787029.db2.gz JYTCTEBGIURWGS-UHFFFAOYSA-N -1 3 381.396 0.580 20 0 GCADHM O=C(NC1CN(Cc2cccc3c2OCCO3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571170640 952787031 /nfs/dbraw/zinc/78/70/31/952787031.db2.gz JYTCTEBGIURWGS-UHFFFAOYSA-N -1 3 381.396 0.580 20 0 GCADHM CC[C@@H](F)C(=O)N1CCC(O)(CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571170712 952787877 /nfs/dbraw/zinc/78/78/77/952787877.db2.gz KXTPVRVSINXJEW-LLVKDONJSA-N -1 3 381.387 0.914 20 0 GCADHM CC[C@@H](F)C(=O)N1CCC(O)(CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571170712 952787881 /nfs/dbraw/zinc/78/78/81/952787881.db2.gz KXTPVRVSINXJEW-LLVKDONJSA-N -1 3 381.387 0.914 20 0 GCADHM CC1(C)CN(C(=O)c2cnccn2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571170648 952787934 /nfs/dbraw/zinc/78/79/34/952787934.db2.gz KBWMUWZRMDNDIM-ZDUSSCGKSA-N -1 3 381.400 0.265 20 0 GCADHM CC1(C)CN(C(=O)c2cnccn2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571170648 952787940 /nfs/dbraw/zinc/78/79/40/952787940.db2.gz KBWMUWZRMDNDIM-ZDUSSCGKSA-N -1 3 381.400 0.265 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2occ3c2CCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170826 952789589 /nfs/dbraw/zinc/78/95/89/952789589.db2.gz LVVDQHJQBRRBTK-GFCCVEGCSA-N -1 3 381.396 0.921 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2occ3c2CCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170826 952789592 /nfs/dbraw/zinc/78/95/92/952789592.db2.gz LVVDQHJQBRRBTK-GFCCVEGCSA-N -1 3 381.396 0.921 20 0 GCADHM COc1cccc(CC(=O)N2CC[C@@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571171133 952792057 /nfs/dbraw/zinc/79/20/57/952792057.db2.gz PTOUMXIBVGVVAA-CQSZACIVSA-N -1 3 381.396 0.888 20 0 GCADHM COc1cccc(CC(=O)N2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571171133 952792059 /nfs/dbraw/zinc/79/20/59/952792059.db2.gz PTOUMXIBVGVVAA-CQSZACIVSA-N -1 3 381.396 0.888 20 0 GCADHM CN(C[C@@H]1CCN1CCO[C@@H]1CC1(F)F)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571171591 952795072 /nfs/dbraw/zinc/79/50/72/952795072.db2.gz STLSLGZCXQFTFB-WCQYABFASA-N -1 3 381.387 0.765 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@@H](Nc2nc(Cl)c(-c3nnn[n-]3)s2)C1 ZINC001571171748 952797414 /nfs/dbraw/zinc/79/74/14/952797414.db2.gz FUPWIZSPIOEXGU-ZCFIWIBFSA-N -1 3 380.825 0.730 20 0 GCADHM COc1cc(C)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571174552 952809880 /nfs/dbraw/zinc/80/98/80/952809880.db2.gz ADJDJFFWEGENGY-MSRIBSCDSA-N -1 3 381.400 0.166 20 0 GCADHM COc1cc(C)nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571174552 952809888 /nfs/dbraw/zinc/80/98/88/952809888.db2.gz ADJDJFFWEGENGY-MSRIBSCDSA-N -1 3 381.400 0.166 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)C2)n1 ZINC001571174708 952812805 /nfs/dbraw/zinc/81/28/05/952812805.db2.gz FYAVVYHTDKDINH-PHIMTYICSA-N -1 3 381.400 0.370 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H](NC(=O)c3cc(C(N)=O)c[nH]3)C2)n1 ZINC001571174708 952812811 /nfs/dbraw/zinc/81/28/11/952812811.db2.gz FYAVVYHTDKDINH-PHIMTYICSA-N -1 3 381.400 0.370 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)C1CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001571174747 952813660 /nfs/dbraw/zinc/81/36/60/952813660.db2.gz HCJKOOFCPQSEQH-UHFFFAOYSA-N -1 3 381.400 0.498 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)C1CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001571174747 952813665 /nfs/dbraw/zinc/81/36/65/952813665.db2.gz HCJKOOFCPQSEQH-UHFFFAOYSA-N -1 3 381.400 0.498 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C)n1 ZINC001571174812 952813884 /nfs/dbraw/zinc/81/38/84/952813884.db2.gz IYQBBMRFZBLSKN-MFKMUULPSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C)n1 ZINC001571174812 952813887 /nfs/dbraw/zinc/81/38/87/952813887.db2.gz IYQBBMRFZBLSKN-MFKMUULPSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)cnn1 ZINC001571174787 952814261 /nfs/dbraw/zinc/81/42/61/952814261.db2.gz ICJPGPXTRFODCF-MFKMUULPSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)cnn1 ZINC001571174787 952814265 /nfs/dbraw/zinc/81/42/65/952814265.db2.gz ICJPGPXTRFODCF-MFKMUULPSA-N -1 3 381.400 0.326 20 0 GCADHM COc1nccc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001571174848 952815039 /nfs/dbraw/zinc/81/50/39/952815039.db2.gz KCGXBAWRWTUDQJ-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM COc1nccc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001571174848 952815045 /nfs/dbraw/zinc/81/50/45/952815045.db2.gz KCGXBAWRWTUDQJ-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571174846 952815112 /nfs/dbraw/zinc/81/51/12/952815112.db2.gz JXTZGEMAAYIJRO-QMTHXVAHSA-N -1 3 381.400 0.423 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571174846 952815118 /nfs/dbraw/zinc/81/51/18/952815118.db2.gz JXTZGEMAAYIJRO-QMTHXVAHSA-N -1 3 381.400 0.423 20 0 GCADHM COc1nccc(C(=O)N2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC001571174833 952815228 /nfs/dbraw/zinc/81/52/28/952815228.db2.gz JUPXDWYDSCKSNP-QWRGUYRKSA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC001571174833 952815237 /nfs/dbraw/zinc/81/52/37/952815237.db2.gz JUPXDWYDSCKSNP-QWRGUYRKSA-N -1 3 381.400 0.775 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)ncn1 ZINC001571174865 952815711 /nfs/dbraw/zinc/81/57/11/952815711.db2.gz KYJOLRHKFCHDLY-GFCCVEGCSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)ncn1 ZINC001571174865 952815717 /nfs/dbraw/zinc/81/57/17/952815717.db2.gz KYJOLRHKFCHDLY-GFCCVEGCSA-N -1 3 381.400 0.280 20 0 GCADHM COc1ncc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001571174859 952815789 /nfs/dbraw/zinc/81/57/89/952815789.db2.gz KQPDYDFTCJHXIK-LBPRGKRZSA-N -1 3 381.400 0.459 20 0 GCADHM COc1ncc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001571174859 952815798 /nfs/dbraw/zinc/81/57/98/952815798.db2.gz KQPDYDFTCJHXIK-LBPRGKRZSA-N -1 3 381.400 0.459 20 0 GCADHM COc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)nn1 ZINC001571174871 952815876 /nfs/dbraw/zinc/81/58/76/952815876.db2.gz LFSAFWSUUBAXKE-XYPYZODXSA-N -1 3 381.400 0.742 20 0 GCADHM COc1ccc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)nn1 ZINC001571174871 952815883 /nfs/dbraw/zinc/81/58/83/952815883.db2.gz LFSAFWSUUBAXKE-XYPYZODXSA-N -1 3 381.400 0.742 20 0 GCADHM COc1cnc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571174873 952815994 /nfs/dbraw/zinc/81/59/94/952815994.db2.gz LGKALXPBLPPKAR-NSHDSACASA-N -1 3 381.400 0.317 20 0 GCADHM COc1cnc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571174873 952815996 /nfs/dbraw/zinc/81/59/96/952815996.db2.gz LGKALXPBLPPKAR-NSHDSACASA-N -1 3 381.400 0.317 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CN(C(=O)c3cncnc3)CCO2)n1 ZINC001571175122 952818057 /nfs/dbraw/zinc/81/80/57/952818057.db2.gz PXCABMWEIRGBBI-ZDUSSCGKSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CN(C(=O)c3cncnc3)CCO2)n1 ZINC001571175122 952818066 /nfs/dbraw/zinc/81/80/66/952818066.db2.gz PXCABMWEIRGBBI-ZDUSSCGKSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)ncn1 ZINC001571175084 952818172 /nfs/dbraw/zinc/81/81/72/952818172.db2.gz PCEDQFJYAGYNHS-GHMZBOCLSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)ncn1 ZINC001571175084 952818178 /nfs/dbraw/zinc/81/81/78/952818178.db2.gz PCEDQFJYAGYNHS-GHMZBOCLSA-N -1 3 381.400 0.326 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnccn1 ZINC001571175341 952820926 /nfs/dbraw/zinc/82/09/26/952820926.db2.gz AYFXEQKOCFLSGC-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnccn1 ZINC001571175341 952820934 /nfs/dbraw/zinc/82/09/34/952820934.db2.gz AYFXEQKOCFLSGC-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC1CCC(NC(=O)c2ccnnc2)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571175408 952821337 /nfs/dbraw/zinc/82/13/37/952821337.db2.gz CAEJIMIWMBZZGC-UHFFFAOYSA-N -1 3 381.400 0.456 20 0 GCADHM O=C(NC1CCC(NC(=O)c2ccnnc2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571175408 952821341 /nfs/dbraw/zinc/82/13/41/952821341.db2.gz CAEJIMIWMBZZGC-UHFFFAOYSA-N -1 3 381.400 0.456 20 0 GCADHM COc1ccc(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001571175570 952822807 /nfs/dbraw/zinc/82/28/07/952822807.db2.gz VJPLLPHUNMXMFS-UHFFFAOYSA-N -1 3 381.400 0.775 20 0 GCADHM COc1ccc(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001571175570 952822814 /nfs/dbraw/zinc/82/28/14/952822814.db2.gz VJPLLPHUNMXMFS-UHFFFAOYSA-N -1 3 381.400 0.775 20 0 GCADHM O=C(N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)c1c[nH]c(=O)cn1 ZINC001571175664 952823146 /nfs/dbraw/zinc/82/31/46/952823146.db2.gz DMNKAKWPRDOSDL-QWRGUYRKSA-N -1 3 381.400 0.498 20 0 GCADHM O=C(N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)c1c[nH]c(=O)cn1 ZINC001571175664 952823155 /nfs/dbraw/zinc/82/31/55/952823155.db2.gz DMNKAKWPRDOSDL-QWRGUYRKSA-N -1 3 381.400 0.498 20 0 GCADHM Cc1cc(C(=O)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ncn1 ZINC001571175604 952823360 /nfs/dbraw/zinc/82/33/60/952823360.db2.gz WURXLLFJSVPIMY-SNVBAGLBSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1cc(C(=O)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ncn1 ZINC001571175604 952823364 /nfs/dbraw/zinc/82/33/64/952823364.db2.gz WURXLLFJSVPIMY-SNVBAGLBSA-N -1 3 381.400 0.184 20 0 GCADHM COc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571175636 952823787 /nfs/dbraw/zinc/82/37/87/952823787.db2.gz XVYJMBKGENADEY-ZWNOBZJWSA-N -1 3 381.400 0.633 20 0 GCADHM COc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571175636 952823792 /nfs/dbraw/zinc/82/37/92/952823792.db2.gz XVYJMBKGENADEY-ZWNOBZJWSA-N -1 3 381.400 0.633 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)n1 ZINC001571175696 952824662 /nfs/dbraw/zinc/82/46/62/952824662.db2.gz FJBOZCPKNXWQAW-WDEREUQCSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)n1 ZINC001571175696 952824672 /nfs/dbraw/zinc/82/46/72/952824672.db2.gz FJBOZCPKNXWQAW-WDEREUQCSA-N -1 3 381.400 0.326 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2cnccn2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571176104 952827994 /nfs/dbraw/zinc/82/79/94/952827994.db2.gz KZFXOQULNHUPLO-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2cnccn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571176104 952827995 /nfs/dbraw/zinc/82/79/95/952827995.db2.gz KZFXOQULNHUPLO-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM Cn1nc(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)ccc1=O ZINC001571176117 952828041 /nfs/dbraw/zinc/82/80/41/952828041.db2.gz LSUMCZSVTLEUAU-LLVKDONJSA-N -1 3 381.400 0.072 20 0 GCADHM Cn1nc(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)ccc1=O ZINC001571176117 952828046 /nfs/dbraw/zinc/82/80/46/952828046.db2.gz LSUMCZSVTLEUAU-LLVKDONJSA-N -1 3 381.400 0.072 20 0 GCADHM Cc1nnccc1C(=O)NC1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571175959 952828123 /nfs/dbraw/zinc/82/81/23/952828123.db2.gz JPWXFCKTAKSGHK-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1nnccc1C(=O)NC1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571175959 952828131 /nfs/dbraw/zinc/82/81/31/952828131.db2.gz JPWXFCKTAKSGHK-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1nccc(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571176331 952830215 /nfs/dbraw/zinc/83/02/15/952830215.db2.gz PTLLLWQNVUVVFD-UHFFFAOYSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nccc(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571176331 952830217 /nfs/dbraw/zinc/83/02/17/952830217.db2.gz PTLLLWQNVUVVFD-UHFFFAOYSA-N -1 3 381.400 0.326 20 0 GCADHM O=C(NCC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)c1cn[nH]c(=O)c1 ZINC001571176365 952830869 /nfs/dbraw/zinc/83/08/69/952830869.db2.gz QQGZVSZRIZSARE-UHFFFAOYSA-N -1 3 381.400 0.404 20 0 GCADHM O=C(NCC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)c1cn[nH]c(=O)c1 ZINC001571176365 952830874 /nfs/dbraw/zinc/83/08/74/952830874.db2.gz QQGZVSZRIZSARE-UHFFFAOYSA-N -1 3 381.400 0.404 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ncccn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571176371 952831207 /nfs/dbraw/zinc/83/12/07/952831207.db2.gz QRFGXHALVCJGLE-GHMZBOCLSA-N -1 3 381.400 0.456 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ncccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571176371 952831210 /nfs/dbraw/zinc/83/12/10/952831210.db2.gz QRFGXHALVCJGLE-GHMZBOCLSA-N -1 3 381.400 0.456 20 0 GCADHM Cc1nccc(C(=O)N2CC([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571176510 952831592 /nfs/dbraw/zinc/83/15/92/952831592.db2.gz SDRPPRYUUJTWCV-VIFPVBQESA-N -1 3 381.400 0.184 20 0 GCADHM Cc1nccc(C(=O)N2CC([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571176510 952831596 /nfs/dbraw/zinc/83/15/96/952831596.db2.gz SDRPPRYUUJTWCV-VIFPVBQESA-N -1 3 381.400 0.184 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC001571176593 952833361 /nfs/dbraw/zinc/83/33/61/952833361.db2.gz VNMTZKULSYUJNR-UHFFFAOYSA-N -1 3 381.400 0.405 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC001571176593 952833364 /nfs/dbraw/zinc/83/33/64/952833364.db2.gz VNMTZKULSYUJNR-UHFFFAOYSA-N -1 3 381.400 0.405 20 0 GCADHM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C1)c1cnon1 ZINC001571176553 952833604 /nfs/dbraw/zinc/83/36/04/952833604.db2.gz UTRWQCVPEHMRIA-GRYCIOLGSA-N -1 3 381.400 0.680 20 0 GCADHM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2C1)c1cnon1 ZINC001571176553 952833611 /nfs/dbraw/zinc/83/36/11/952833611.db2.gz UTRWQCVPEHMRIA-GRYCIOLGSA-N -1 3 381.400 0.680 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571176804 952835019 /nfs/dbraw/zinc/83/50/19/952835019.db2.gz XZQXUTPCHVBPBW-AOOOYVTPSA-N -1 3 381.400 0.097 20 0 GCADHM O=C(c1cnon1)N1CCC[C@@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571178212 952837736 /nfs/dbraw/zinc/83/77/36/952837736.db2.gz BJZKUQWYLGTJOG-KRWDZBQOSA-N -1 3 381.400 0.777 20 0 GCADHM O=C(c1cnon1)N1CCC[C@@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571178212 952837745 /nfs/dbraw/zinc/83/77/45/952837745.db2.gz BJZKUQWYLGTJOG-KRWDZBQOSA-N -1 3 381.400 0.777 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC2(C1)CCCN(C(=O)c1ncc[nH]1)C2 ZINC001571178349 952838996 /nfs/dbraw/zinc/83/89/96/952838996.db2.gz GIWNLTFCSXCODX-UHFFFAOYSA-N -1 3 381.400 0.296 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC2(C1)CCCN(C(=O)c1ncc[nH]1)C2 ZINC001571178349 952838998 /nfs/dbraw/zinc/83/89/98/952838998.db2.gz GIWNLTFCSXCODX-UHFFFAOYSA-N -1 3 381.400 0.296 20 0 GCADHM O=C(c1ccc(=O)[nH]n1)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571178810 952848052 /nfs/dbraw/zinc/84/80/52/952848052.db2.gz VGDDWBKQLFKODB-LLVKDONJSA-N -1 3 381.400 0.722 20 0 GCADHM O=C(c1ccc(=O)[nH]n1)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571178810 952848059 /nfs/dbraw/zinc/84/80/59/952848059.db2.gz VGDDWBKQLFKODB-LLVKDONJSA-N -1 3 381.400 0.722 20 0 GCADHM O=C(c1cnc[nH]c1=O)N1CCC(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571178937 952851128 /nfs/dbraw/zinc/85/11/28/952851128.db2.gz YOAWKQJTXTYDIW-UHFFFAOYSA-N -1 3 381.400 0.722 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571179952 952857359 /nfs/dbraw/zinc/85/73/59/952857359.db2.gz KWQTVRIHFAFFSZ-ZDXGLAPJSA-N -1 3 381.440 0.583 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571179952 952857364 /nfs/dbraw/zinc/85/73/64/952857364.db2.gz KWQTVRIHFAFFSZ-ZDXGLAPJSA-N -1 3 381.440 0.583 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1C[C@@H]2C[C@H]1CN2Cc1cccc(-c2nn[n-]n2)c1 ZINC001571181797 952865506 /nfs/dbraw/zinc/86/55/06/952865506.db2.gz YKWPRKQKGKGWDI-JYJNAYRXSA-N -1 3 381.440 0.178 20 0 GCADHM CCc1ccc([C@H](O)CN2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1 ZINC001571182748 952869029 /nfs/dbraw/zinc/86/90/29/952869029.db2.gz DIKTWVAMTSPQLT-QGZVFWFLSA-N -1 3 381.440 0.905 20 0 GCADHM CCc1ccc([C@H](O)CN2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cc1 ZINC001571182748 952869032 /nfs/dbraw/zinc/86/90/32/952869032.db2.gz DIKTWVAMTSPQLT-QGZVFWFLSA-N -1 3 381.440 0.905 20 0 GCADHM CCc1c[nH]c(CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571183478 952879207 /nfs/dbraw/zinc/87/92/07/952879207.db2.gz BEJRXMLZYOKKJA-ZDUSSCGKSA-N -1 3 381.444 0.875 20 0 GCADHM CCc1c[nH]c(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571183478 952879210 /nfs/dbraw/zinc/87/92/10/952879210.db2.gz BEJRXMLZYOKKJA-ZDUSSCGKSA-N -1 3 381.444 0.875 20 0 GCADHM CCc1c(C(=O)N(C)[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)cnn1C ZINC001571183521 952880124 /nfs/dbraw/zinc/88/01/24/952880124.db2.gz CLPCDSDJCLVAIW-LBPRGKRZSA-N -1 3 381.444 0.909 20 0 GCADHM CCc1c(C(=O)N(C)[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)cnn1C ZINC001571183521 952880126 /nfs/dbraw/zinc/88/01/26/952880126.db2.gz CLPCDSDJCLVAIW-LBPRGKRZSA-N -1 3 381.444 0.909 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571184645 952895513 /nfs/dbraw/zinc/89/55/13/952895513.db2.gz CEJLIOYNOOVKDT-ZDUSSCGKSA-N -1 3 381.444 0.981 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571184645 952895515 /nfs/dbraw/zinc/89/55/15/952895515.db2.gz CEJLIOYNOOVKDT-ZDUSSCGKSA-N -1 3 381.444 0.981 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)CCn1cccn1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571184870 952898723 /nfs/dbraw/zinc/89/87/23/952898723.db2.gz GAVUWXGHJLAWOV-OAHLLOKOSA-N -1 3 381.444 0.976 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)CCn1cccn1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571184870 952898728 /nfs/dbraw/zinc/89/87/28/952898728.db2.gz GAVUWXGHJLAWOV-OAHLLOKOSA-N -1 3 381.444 0.976 20 0 GCADHM Cc1c(C(=O)NC[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)cnn1C ZINC001571185000 952899150 /nfs/dbraw/zinc/89/91/50/952899150.db2.gz GMPQHQDFKQFTFH-CYBMUJFWSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1c(C(=O)NC[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)cnn1C ZINC001571185000 952899152 /nfs/dbraw/zinc/89/91/52/952899152.db2.gz GMPQHQDFKQFTFH-CYBMUJFWSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C ZINC001571185198 952900760 /nfs/dbraw/zinc/90/07/60/952900760.db2.gz JJSIHUIFZPKBTN-OAHLLOKOSA-N -1 3 381.444 0.867 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C ZINC001571185198 952900763 /nfs/dbraw/zinc/90/07/63/952900763.db2.gz JJSIHUIFZPKBTN-OAHLLOKOSA-N -1 3 381.444 0.867 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)C1CCN(C(=O)Cc2cnn(C)c2)CC1 ZINC001571185507 952902185 /nfs/dbraw/zinc/90/21/85/952902185.db2.gz MOIBXYYBHIEVTB-UHFFFAOYSA-N -1 3 381.444 0.665 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)C1CCN(C(=O)Cc2cnn(C)c2)CC1 ZINC001571185507 952902187 /nfs/dbraw/zinc/90/21/87/952902187.db2.gz MOIBXYYBHIEVTB-UHFFFAOYSA-N -1 3 381.444 0.665 20 0 GCADHM Cc1c(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)cnn1C ZINC001571186087 952904424 /nfs/dbraw/zinc/90/44/24/952904424.db2.gz RXCNLHMWUGLJQK-BDJLRTHQSA-N -1 3 381.444 0.805 20 0 GCADHM Cc1c(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)cnn1C ZINC001571186087 952904426 /nfs/dbraw/zinc/90/44/26/952904426.db2.gz RXCNLHMWUGLJQK-BDJLRTHQSA-N -1 3 381.444 0.805 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)C(C)(C)c2cnc[nH]2)C1 ZINC001571186780 952908647 /nfs/dbraw/zinc/90/86/47/952908647.db2.gz ZNXIPYCQACNACW-CYBMUJFWSA-N -1 3 381.444 1.000 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571188134 952912080 /nfs/dbraw/zinc/91/20/80/952912080.db2.gz GNASOHCWJUTAND-CQSZACIVSA-N -1 3 381.444 0.860 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571188134 952912083 /nfs/dbraw/zinc/91/20/83/952912083.db2.gz GNASOHCWJUTAND-CQSZACIVSA-N -1 3 381.444 0.860 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)Cc3cncn3C)[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571188407 952914391 /nfs/dbraw/zinc/91/43/91/952914391.db2.gz AISKAMHJSGOOKY-WFASDCNBSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nc(NC2CC(N(C)C(=O)Cc3cncn3C)C2)ccc1-c1nn[n-]n1 ZINC001571188456 952914529 /nfs/dbraw/zinc/91/45/29/952914529.db2.gz AYAIUPDAFXPTOO-UHFFFAOYSA-N -1 3 381.444 0.948 20 0 GCADHM Cn1cncc1CC(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571188428 952914539 /nfs/dbraw/zinc/91/45/39/952914539.db2.gz AODOATDRTWQDHR-GOSISDBHSA-N -1 3 381.444 0.888 20 0 GCADHM Cn1cncc1CC(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571188428 952914543 /nfs/dbraw/zinc/91/45/43/952914543.db2.gz AODOATDRTWQDHR-GOSISDBHSA-N -1 3 381.444 0.888 20 0 GCADHM Cn1cncc1CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571188430 952914580 /nfs/dbraw/zinc/91/45/80/952914580.db2.gz AODOATDRTWQDHR-SFHVURJKSA-N -1 3 381.444 0.888 20 0 GCADHM Cn1cncc1CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571188430 952914583 /nfs/dbraw/zinc/91/45/83/952914583.db2.gz AODOATDRTWQDHR-SFHVURJKSA-N -1 3 381.444 0.888 20 0 GCADHM Cn1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571188598 952917169 /nfs/dbraw/zinc/91/71/69/952917169.db2.gz DZESADSHCSRUKR-CQSZACIVSA-N -1 3 381.444 0.713 20 0 GCADHM Cn1ccc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571188598 952917173 /nfs/dbraw/zinc/91/71/73/952917173.db2.gz DZESADSHCSRUKR-CQSZACIVSA-N -1 3 381.444 0.713 20 0 GCADHM Cc1nc(N[C@H]2CCCN(C(=O)Cc3ccn(C)n3)C2)ccc1-c1nnn[n-]1 ZINC001571188716 952919273 /nfs/dbraw/zinc/91/92/73/952919273.db2.gz GOFRNVDDPMUUSN-AWEZNQCLSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nc(N[C@H]2CCCN(C(=O)Cc3ccn(C)n3)C2)ccc1-c1nn[n-]n1 ZINC001571188716 952919275 /nfs/dbraw/zinc/91/92/75/952919275.db2.gz GOFRNVDDPMUUSN-AWEZNQCLSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ncc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)cn3)C2)n1C ZINC001571188793 952920776 /nfs/dbraw/zinc/92/07/76/952920776.db2.gz JKFAKIVFKIZWSX-CYBMUJFWSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1ncc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)cn3)C2)n1C ZINC001571188793 952920780 /nfs/dbraw/zinc/92/07/80/952920780.db2.gz JKFAKIVFKIZWSX-CYBMUJFWSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2CN(c3ncccc3-c3nnn[n-]3)CC2(C)C)n1C ZINC001571188938 952921981 /nfs/dbraw/zinc/92/19/81/952921981.db2.gz KMSKPDWQRLKOIM-AWEZNQCLSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2CN(c3ncccc3-c3nn[n-]n3)CC2(C)C)n1C ZINC001571188938 952921985 /nfs/dbraw/zinc/92/19/85/952921985.db2.gz KMSKPDWQRLKOIM-AWEZNQCLSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nn(C)cc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571188954 952922559 /nfs/dbraw/zinc/92/25/59/952922559.db2.gz KSZVSKBTCHFDDA-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1nn(C)cc1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571188954 952922560 /nfs/dbraw/zinc/92/25/60/952922560.db2.gz KSZVSKBTCHFDDA-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2CC[C@@H](C)N(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571189017 952923226 /nfs/dbraw/zinc/92/32/26/952923226.db2.gz PPMUNVAPVICFAT-ZIAGYGMSSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2CC[C@@H](C)N(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571189017 952923228 /nfs/dbraw/zinc/92/32/28/952923228.db2.gz PPMUNVAPVICFAT-ZIAGYGMSSA-N -1 3 381.444 0.940 20 0 GCADHM Cn1ccc(CC(=O)N2CCC(CNc3ncccc3-c3nnn[n-]3)CC2)n1 ZINC001571189273 952928335 /nfs/dbraw/zinc/92/83/35/952928335.db2.gz PCKKXEHWVBTCGI-UHFFFAOYSA-N -1 3 381.444 0.888 20 0 GCADHM Cn1ccc(CC(=O)N2CCC(CNc3ncccc3-c3nn[n-]n3)CC2)n1 ZINC001571189273 952928343 /nfs/dbraw/zinc/92/83/43/952928343.db2.gz PCKKXEHWVBTCGI-UHFFFAOYSA-N -1 3 381.444 0.888 20 0 GCADHM Cc1nn(C)cc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571189678 952933530 /nfs/dbraw/zinc/93/35/30/952933530.db2.gz RINHGHMNUDGUKO-CQSZACIVSA-N -1 3 381.444 0.550 20 0 GCADHM Cc1nn(C)cc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571189678 952933533 /nfs/dbraw/zinc/93/35/33/952933533.db2.gz RINHGHMNUDGUKO-CQSZACIVSA-N -1 3 381.444 0.550 20 0 GCADHM Cn1cncc1CC(=O)N1CCC(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001571189795 952934555 /nfs/dbraw/zinc/93/45/55/952934555.db2.gz VJFZYFCABKOESV-UHFFFAOYSA-N -1 3 381.444 0.888 20 0 GCADHM Cn1cncc1CC(=O)N1CCC(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001571189795 952934564 /nfs/dbraw/zinc/93/45/64/952934564.db2.gz VJFZYFCABKOESV-UHFFFAOYSA-N -1 3 381.444 0.888 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC001571189782 952935115 /nfs/dbraw/zinc/93/51/15/952935115.db2.gz UQGXUSKZXIVEIY-IUODEOHRSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC001571189782 952935120 /nfs/dbraw/zinc/93/51/20/952935120.db2.gz UQGXUSKZXIVEIY-IUODEOHRSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)[C@H](C)c3cnn(C)c3)C2)ccc1-c1nnn[n-]1 ZINC001571189743 952935326 /nfs/dbraw/zinc/93/53/26/952935326.db2.gz TWXVYYOPYBFIAG-BXUZGUMPSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)[C@H](C)c3cnn(C)c3)C2)ccc1-c1nn[n-]n1 ZINC001571189743 952935329 /nfs/dbraw/zinc/93/53/29/952935329.db2.gz TWXVYYOPYBFIAG-BXUZGUMPSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)[C@@H](C)c3cnn(C)c3)C2)ccc1-c1nnn[n-]1 ZINC001571189746 952935378 /nfs/dbraw/zinc/93/53/78/952935378.db2.gz TWXVYYOPYBFIAG-SMDDNHRTSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)[C@@H](C)c3cnn(C)c3)C2)ccc1-c1nn[n-]n1 ZINC001571189746 952935384 /nfs/dbraw/zinc/93/53/84/952935384.db2.gz TWXVYYOPYBFIAG-SMDDNHRTSA-N -1 3 381.444 0.802 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2cc3n(n2)CCC3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571189848 952936090 /nfs/dbraw/zinc/93/60/90/952936090.db2.gz XHLHYEHASIZOBV-LBPRGKRZSA-N -1 3 381.444 0.732 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2cc3n(n2)CCC3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571189848 952936094 /nfs/dbraw/zinc/93/60/94/952936094.db2.gz XHLHYEHASIZOBV-LBPRGKRZSA-N -1 3 381.444 0.732 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](O)CN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001571190813 952944733 /nfs/dbraw/zinc/94/47/33/952944733.db2.gz MSHMLDBURQNMNE-PSASIEDQSA-N -1 3 382.218 0.989 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](O)CN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001571190813 952944738 /nfs/dbraw/zinc/94/47/38/952944738.db2.gz MSHMLDBURQNMNE-PSASIEDQSA-N -1 3 382.218 0.989 20 0 GCADHM O=C(N[C@H](CO)[C@H]1CCOC1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001571192851 952950390 /nfs/dbraw/zinc/95/03/90/952950390.db2.gz XHSNLWGIWSLNLJ-QPUJVOFHSA-N -1 3 382.218 0.756 20 0 GCADHM O=C(N[C@H](CO)[C@H]1CCOC1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001571192851 952950393 /nfs/dbraw/zinc/95/03/93/952950393.db2.gz XHSNLWGIWSLNLJ-QPUJVOFHSA-N -1 3 382.218 0.756 20 0 GCADHM C[C@@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc[nH]c1=O ZINC001571193769 952952471 /nfs/dbraw/zinc/95/24/71/952952471.db2.gz BVKHUAQJZFDCEL-ZJUUUORDSA-N -1 3 382.388 0.258 20 0 GCADHM CCc1nc(N[C@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)cc(-c2nnn[n-]2)n1 ZINC001571193834 952953423 /nfs/dbraw/zinc/95/34/23/952953423.db2.gz DVEIWPYNYXDDAZ-VIFPVBQESA-N -1 3 382.388 0.041 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21)c1ccc(=O)[nH]n1 ZINC001571193917 952955118 /nfs/dbraw/zinc/95/51/18/952955118.db2.gz AZJNKLRKHCRIEA-ZZCKJEPUSA-N -1 3 382.359 0.366 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21)c1ccc(=O)[nH]n1 ZINC001571193917 952955122 /nfs/dbraw/zinc/95/51/22/952955122.db2.gz AZJNKLRKHCRIEA-ZZCKJEPUSA-N -1 3 382.359 0.366 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CC2)c1ccon1 ZINC001571193954 952955644 /nfs/dbraw/zinc/95/56/44/952955644.db2.gz BPORLSMACWJJLB-GUYCJALGSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2)c1ccon1 ZINC001571193954 952955647 /nfs/dbraw/zinc/95/56/47/952955647.db2.gz BPORLSMACWJJLB-GUYCJALGSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CC2)c1ccon1 ZINC001571193953 952955693 /nfs/dbraw/zinc/95/56/93/952955693.db2.gz BPORLSMACWJJLB-DYVFJYSZSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2)c1ccon1 ZINC001571193953 952955695 /nfs/dbraw/zinc/95/56/95/952955695.db2.gz BPORLSMACWJJLB-DYVFJYSZSA-N -1 3 382.384 0.750 20 0 GCADHM COc1ncccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194000 952955711 /nfs/dbraw/zinc/95/57/11/952955711.db2.gz DOMOTBBHYQQNFK-PHIMTYICSA-N -1 3 382.384 0.289 20 0 GCADHM COc1ncccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194000 952955712 /nfs/dbraw/zinc/95/57/12/952955712.db2.gz DOMOTBBHYQQNFK-PHIMTYICSA-N -1 3 382.384 0.289 20 0 GCADHM COc1cc(=O)[nH]cc1C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571193959 952955953 /nfs/dbraw/zinc/95/59/53/952955953.db2.gz BZEBUZHGCMCINR-JTQLQIEISA-N -1 3 382.384 0.380 20 0 GCADHM COc1cc(=O)[nH]cc1C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571193959 952955957 /nfs/dbraw/zinc/95/59/57/952955957.db2.gz BZEBUZHGCMCINR-JTQLQIEISA-N -1 3 382.384 0.380 20 0 GCADHM C[C@@]12CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]1CN(C(=O)c1ccon1)C2 ZINC001571193967 952956126 /nfs/dbraw/zinc/95/61/26/952956126.db2.gz CEFBJIXVONGIMA-DIFFPNOSSA-N -1 3 382.384 0.417 20 0 GCADHM C[C@@]12CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]1CN(C(=O)c1ccon1)C2 ZINC001571193967 952956130 /nfs/dbraw/zinc/95/61/30/952956130.db2.gz CEFBJIXVONGIMA-DIFFPNOSSA-N -1 3 382.384 0.417 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)c1ccc2c(c1)COC(=O)N2 ZINC001571194091 952957337 /nfs/dbraw/zinc/95/73/37/952957337.db2.gz GBDCKJGEZMGEMD-UHFFFAOYSA-N -1 3 382.340 0.908 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)c1ccc2c(c1)COC(=O)N2 ZINC001571194091 952957340 /nfs/dbraw/zinc/95/73/40/952957340.db2.gz GBDCKJGEZMGEMD-UHFFFAOYSA-N -1 3 382.340 0.908 20 0 GCADHM COc1cc(=O)[nH]cc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571194165 952958586 /nfs/dbraw/zinc/95/85/86/952958586.db2.gz HPXOPTIIOTUULY-UHFFFAOYSA-N -1 3 382.384 0.333 20 0 GCADHM COc1cc(=O)[nH]cc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571194165 952958591 /nfs/dbraw/zinc/95/85/91/952958591.db2.gz HPXOPTIIOTUULY-UHFFFAOYSA-N -1 3 382.384 0.333 20 0 GCADHM Cc1cc(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)ncc1-c1nnn[n-]1 ZINC001571194117 952958823 /nfs/dbraw/zinc/95/88/23/952958823.db2.gz ITYQNLVAAFDUCR-UHFFFAOYSA-N -1 3 382.388 0.689 20 0 GCADHM Cc1cc(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)ncc1-c1nn[n-]n1 ZINC001571194117 952958827 /nfs/dbraw/zinc/95/88/27/952958827.db2.gz ITYQNLVAAFDUCR-UHFFFAOYSA-N -1 3 382.388 0.689 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(C3CC3)on2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571194186 952959386 /nfs/dbraw/zinc/95/93/86/952959386.db2.gz IADMSWONDKDUKA-JTQLQIEISA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(C3CC3)on2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571194186 952959387 /nfs/dbraw/zinc/95/93/87/952959387.db2.gz IADMSWONDKDUKA-JTQLQIEISA-N -1 3 382.384 0.705 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H](CO)C(F)(F)F)cc1 ZINC001571194196 952959531 /nfs/dbraw/zinc/95/95/31/952959531.db2.gz IPAGGKLXGJWBBZ-JTQLQIEISA-N -1 3 382.306 0.288 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H](CO)C(F)(F)F)cc1 ZINC001571194196 952959538 /nfs/dbraw/zinc/95/95/38/952959538.db2.gz IPAGGKLXGJWBBZ-JTQLQIEISA-N -1 3 382.306 0.288 20 0 GCADHM NC(=O)c1cc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571194450 952963388 /nfs/dbraw/zinc/96/33/88/952963388.db2.gz NEIDBKWGRJCVGD-JTQLQIEISA-N -1 3 382.384 0.528 20 0 GCADHM NC(=O)c1cc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571194450 952963396 /nfs/dbraw/zinc/96/33/96/952963396.db2.gz NEIDBKWGRJCVGD-JTQLQIEISA-N -1 3 382.384 0.528 20 0 GCADHM CN(C)C(=O)c1cccc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)c1 ZINC001571194427 952963629 /nfs/dbraw/zinc/96/36/29/952963629.db2.gz MGTJJKVLBLNNLG-UHFFFAOYSA-N -1 3 382.384 0.548 20 0 GCADHM CN(C)C(=O)c1cccc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)c1 ZINC001571194427 952963632 /nfs/dbraw/zinc/96/36/32/952963632.db2.gz MGTJJKVLBLNNLG-UHFFFAOYSA-N -1 3 382.384 0.548 20 0 GCADHM Cc1nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)co1 ZINC001571194521 952964353 /nfs/dbraw/zinc/96/43/53/952964353.db2.gz OJJBYDRUNGMLSI-IUPBHXKESA-N -1 3 382.384 0.667 20 0 GCADHM Cc1nc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)co1 ZINC001571194521 952964359 /nfs/dbraw/zinc/96/43/59/952964359.db2.gz OJJBYDRUNGMLSI-IUPBHXKESA-N -1 3 382.384 0.667 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(C(=O)c1cnco1)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194636 952965721 /nfs/dbraw/zinc/96/57/21/952965721.db2.gz PFWJYWYCMIISNZ-SUMWQHHRSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(C(=O)c1cnco1)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194636 952965726 /nfs/dbraw/zinc/96/57/26/952965726.db2.gz PFWJYWYCMIISNZ-SUMWQHHRSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2)c1cocn1 ZINC001571194708 952966799 /nfs/dbraw/zinc/96/67/99/952966799.db2.gz RIKNLFXYFVWSNG-DCAQKATOSA-N -1 3 382.384 0.606 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2)c1cocn1 ZINC001571194708 952966803 /nfs/dbraw/zinc/96/68/03/952966803.db2.gz RIKNLFXYFVWSNG-DCAQKATOSA-N -1 3 382.384 0.606 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cc[nH]c(=O)c1 ZINC001571194689 952966998 /nfs/dbraw/zinc/96/69/98/952966998.db2.gz QZKBTRJADXXBEI-SNVBAGLBSA-N -1 3 382.384 0.188 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cc[nH]c(=O)c1 ZINC001571194689 952966999 /nfs/dbraw/zinc/96/69/99/952966999.db2.gz QZKBTRJADXXBEI-SNVBAGLBSA-N -1 3 382.384 0.188 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@H]2CCN(C(=O)c3ccon3)C[C@H]2C1 ZINC001571194892 952969899 /nfs/dbraw/zinc/96/98/99/952969899.db2.gz VDJMCLMNWYFTDA-PWSUYJOCSA-N -1 3 382.384 0.417 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@H]2CCN(C(=O)c3ccon3)C[C@H]2C1 ZINC001571194892 952969903 /nfs/dbraw/zinc/96/99/03/952969903.db2.gz VDJMCLMNWYFTDA-PWSUYJOCSA-N -1 3 382.384 0.417 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001571194866 952969991 /nfs/dbraw/zinc/96/99/91/952969991.db2.gz UJORXBQIVPRLMX-UHFFFAOYSA-N -1 3 382.384 0.284 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC001571194866 952969993 /nfs/dbraw/zinc/96/99/93/952969993.db2.gz UJORXBQIVPRLMX-UHFFFAOYSA-N -1 3 382.384 0.284 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571195095 952973584 /nfs/dbraw/zinc/97/35/84/952973584.db2.gz YISVZKKDYJWEGY-LLVKDONJSA-N -1 3 382.384 0.330 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571195095 952973588 /nfs/dbraw/zinc/97/35/88/952973588.db2.gz YISVZKKDYJWEGY-LLVKDONJSA-N -1 3 382.384 0.330 20 0 GCADHM C[C@]1(NC(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CCOC1=O ZINC001571195078 952973927 /nfs/dbraw/zinc/97/39/27/952973927.db2.gz XTHQWCOUNVZONL-KRWDZBQOSA-N -1 3 382.384 0.939 20 0 GCADHM C[C@]1(NC(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CCOC1=O ZINC001571195078 952973934 /nfs/dbraw/zinc/97/39/34/952973934.db2.gz XTHQWCOUNVZONL-KRWDZBQOSA-N -1 3 382.384 0.939 20 0 GCADHM Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)on1 ZINC001571195080 952974078 /nfs/dbraw/zinc/97/40/78/952974078.db2.gz XTINLNZNHXHGTG-WZRBSPASSA-N -1 3 382.384 0.667 20 0 GCADHM Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)on1 ZINC001571195080 952974081 /nfs/dbraw/zinc/97/40/81/952974081.db2.gz XTINLNZNHXHGTG-WZRBSPASSA-N -1 3 382.384 0.667 20 0 GCADHM Cn1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571196508 952983828 /nfs/dbraw/zinc/98/38/28/952983828.db2.gz LNWIHFMPZTZOFW-STQMWFEESA-N -1 3 382.403 0.838 20 0 GCADHM Cn1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571196508 952983832 /nfs/dbraw/zinc/98/38/32/952983832.db2.gz LNWIHFMPZTZOFW-STQMWFEESA-N -1 3 382.403 0.838 20 0 GCADHM COc1cccc(CN2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571198556 952990692 /nfs/dbraw/zinc/99/06/92/952990692.db2.gz CBSLRMLEWJUKJU-AWEZNQCLSA-N -1 3 382.428 0.945 20 0 GCADHM Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ccn1C ZINC001571198891 952993655 /nfs/dbraw/zinc/99/36/55/952993655.db2.gz HUBNIXKHVBGPTE-ZWNOBZJWSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ccn1C ZINC001571198891 952993658 /nfs/dbraw/zinc/99/36/58/952993658.db2.gz HUBNIXKHVBGPTE-ZWNOBZJWSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ccn1C ZINC001571198885 952993771 /nfs/dbraw/zinc/99/37/71/952993771.db2.gz HUBNIXKHVBGPTE-GWCFXTLKSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ccn1C ZINC001571198885 952993774 /nfs/dbraw/zinc/99/37/74/952993774.db2.gz HUBNIXKHVBGPTE-GWCFXTLKSA-N -1 3 382.428 0.875 20 0 GCADHM CCn1cccc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571199135 952996523 /nfs/dbraw/zinc/99/65/23/952996523.db2.gz MIYWZYYRKIABJQ-BXUZGUMPSA-N -1 3 382.428 0.907 20 0 GCADHM CCn1cccc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571199135 952996528 /nfs/dbraw/zinc/99/65/28/952996528.db2.gz MIYWZYYRKIABJQ-BXUZGUMPSA-N -1 3 382.428 0.907 20 0 GCADHM COc1cc(CN2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)ccn1 ZINC001571199470 953000361 /nfs/dbraw/zinc/00/03/61/953000361.db2.gz SDKYJKPNIDVJHI-CYBMUJFWSA-N -1 3 382.428 0.993 20 0 GCADHM COc1nn(C)cc1C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571199570 953001256 /nfs/dbraw/zinc/00/12/56/953001256.db2.gz VKSALGUSYZPEJB-UHFFFAOYSA-N -1 3 382.428 0.567 20 0 GCADHM COc1nn(C)cc1C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571199570 953001259 /nfs/dbraw/zinc/00/12/59/953001259.db2.gz VKSALGUSYZPEJB-UHFFFAOYSA-N -1 3 382.428 0.567 20 0 GCADHM COc1ccnc(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001571199674 953002750 /nfs/dbraw/zinc/00/27/50/953002750.db2.gz YRIALFFVFRLLEF-CQSZACIVSA-N -1 3 382.428 0.945 20 0 GCADHM COc1ccnc(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001571199674 953002753 /nfs/dbraw/zinc/00/27/53/953002753.db2.gz YRIALFFVFRLLEF-CQSZACIVSA-N -1 3 382.428 0.945 20 0 GCADHM O=C(Cc1cc[nH]n1)N1C[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2C1 ZINC001571199939 953005446 /nfs/dbraw/zinc/00/54/46/953005446.db2.gz DEIXAYUDRLSCNE-TXEJJXNPSA-N -1 3 382.403 0.866 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)n1C ZINC001571200116 953007934 /nfs/dbraw/zinc/00/79/34/953007934.db2.gz AWBOSCOVAKDXCL-WCQYABFASA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)n1C ZINC001571200116 953007937 /nfs/dbraw/zinc/00/79/37/953007937.db2.gz AWBOSCOVAKDXCL-WCQYABFASA-N -1 3 382.428 0.875 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCC[C@@H]1F ZINC001571200334 953008805 /nfs/dbraw/zinc/00/88/05/953008805.db2.gz HUOBXKJLPZKJRM-QWHCGFSZSA-N -1 3 382.421 0.542 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCC[C@@H]1F ZINC001571200334 953008808 /nfs/dbraw/zinc/00/88/08/953008808.db2.gz HUOBXKJLPZKJRM-QWHCGFSZSA-N -1 3 382.421 0.542 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1C ZINC001571200521 953009708 /nfs/dbraw/zinc/00/97/08/953009708.db2.gz CUQIOOOUMHOEPV-LBPRGKRZSA-N -1 3 382.428 0.734 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1C ZINC001571200521 953009711 /nfs/dbraw/zinc/00/97/11/953009711.db2.gz CUQIOOOUMHOEPV-LBPRGKRZSA-N -1 3 382.428 0.734 20 0 GCADHM Cc1ccc(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1C ZINC001571201039 953014413 /nfs/dbraw/zinc/01/44/13/953014413.db2.gz IOGIVIDYTGHIPB-UHFFFAOYSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1C ZINC001571201039 953014420 /nfs/dbraw/zinc/01/44/20/953014420.db2.gz IOGIVIDYTGHIPB-UHFFFAOYSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001571201509 953018999 /nfs/dbraw/zinc/01/89/99/953018999.db2.gz QUXXTXDHFRBFHR-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001571201509 953019000 /nfs/dbraw/zinc/01/90/00/953019000.db2.gz QUXXTXDHFRBFHR-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)n1C ZINC001571201747 953019460 /nfs/dbraw/zinc/01/94/60/953019460.db2.gz NSXJTWCSTORSQZ-ZDUSSCGKSA-N -1 3 382.428 0.795 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)n1C ZINC001571201747 953019463 /nfs/dbraw/zinc/01/94/63/953019463.db2.gz NSXJTWCSTORSQZ-ZDUSSCGKSA-N -1 3 382.428 0.795 20 0 GCADHM Cc1ccn(C)c1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571202031 953021990 /nfs/dbraw/zinc/02/19/90/953021990.db2.gz QENZBMLSOQJMCN-AWEZNQCLSA-N -1 3 382.428 0.544 20 0 GCADHM Cc1ccn(C)c1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571202031 953021994 /nfs/dbraw/zinc/02/19/94/953021994.db2.gz QENZBMLSOQJMCN-AWEZNQCLSA-N -1 3 382.428 0.544 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)n1C ZINC001571202790 953029071 /nfs/dbraw/zinc/02/90/71/953029071.db2.gz YSWIJPBLMQWDHI-XJKSGUPXSA-N -1 3 382.428 0.278 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)n1C ZINC001571202790 953029075 /nfs/dbraw/zinc/02/90/75/953029075.db2.gz YSWIJPBLMQWDHI-XJKSGUPXSA-N -1 3 382.428 0.278 20 0 GCADHM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001571204654 953030970 /nfs/dbraw/zinc/03/09/70/953030970.db2.gz CAPZZDAAMDBLHX-NWDGAFQWSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](Nc1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001571204654 953030974 /nfs/dbraw/zinc/03/09/74/953030974.db2.gz CAPZZDAAMDBLHX-NWDGAFQWSA-N -1 3 382.432 0.662 20 0 GCADHM CCc1nc(N[C@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571204834 953032739 /nfs/dbraw/zinc/03/27/39/953032739.db2.gz CNURRGVUXUTSNT-NSHDSACASA-N -1 3 382.432 0.588 20 0 GCADHM CCc1nc(N[C@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)cc(-c2nn[n-]n2)n1 ZINC001571204834 953032742 /nfs/dbraw/zinc/03/27/42/953032742.db2.gz CNURRGVUXUTSNT-NSHDSACASA-N -1 3 382.432 0.588 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571205022 953035249 /nfs/dbraw/zinc/03/52/49/953035249.db2.gz FPHZTAQCSRILBL-GFCCVEGCSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571205022 953035252 /nfs/dbraw/zinc/03/52/52/953035252.db2.gz FPHZTAQCSRILBL-GFCCVEGCSA-N -1 3 382.432 0.372 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2nnn(C)c2C)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571205151 953035891 /nfs/dbraw/zinc/03/58/91/953035891.db2.gz GNGRKTXOOGFUPG-GXTWGEPZSA-N -1 3 382.432 0.486 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2nnn(C)c2C)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571205151 953035894 /nfs/dbraw/zinc/03/58/94/953035894.db2.gz GNGRKTXOOGFUPG-GXTWGEPZSA-N -1 3 382.432 0.486 20 0 GCADHM Cn1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C(C)(C)C2)c1 ZINC001571205347 953037068 /nfs/dbraw/zinc/03/70/68/953037068.db2.gz HJDMVNGUZDMCLJ-CQSZACIVSA-N -1 3 382.428 0.814 20 0 GCADHM Cn1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C(C)(C)C2)c1 ZINC001571205347 953037072 /nfs/dbraw/zinc/03/70/72/953037072.db2.gz HJDMVNGUZDMCLJ-CQSZACIVSA-N -1 3 382.428 0.814 20 0 GCADHM CCc1cc(C(=O)N2CC[C@@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571205197 953037266 /nfs/dbraw/zinc/03/72/66/953037266.db2.gz HGAMGSFMADIODM-KRWDZBQOSA-N -1 3 382.432 0.907 20 0 GCADHM Cn1ccc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C(C)(C)C2)c1 ZINC001571205346 953037498 /nfs/dbraw/zinc/03/74/98/953037498.db2.gz HJDMVNGUZDMCLJ-AWEZNQCLSA-N -1 3 382.428 0.814 20 0 GCADHM Cn1ccc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C(C)(C)C2)c1 ZINC001571205346 953037501 /nfs/dbraw/zinc/03/75/01/953037501.db2.gz HJDMVNGUZDMCLJ-AWEZNQCLSA-N -1 3 382.428 0.814 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205452 953038077 /nfs/dbraw/zinc/03/80/77/953038077.db2.gz JFWVUMTXQVBSHF-GHMZBOCLSA-N -1 3 382.432 0.905 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571205458 953038985 /nfs/dbraw/zinc/03/89/85/953038985.db2.gz JKLMTEQMEIFRGE-NEPJUHHUSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571205458 953038988 /nfs/dbraw/zinc/03/89/88/953038988.db2.gz JKLMTEQMEIFRGE-NEPJUHHUSA-N -1 3 382.432 0.662 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571205813 953042547 /nfs/dbraw/zinc/04/25/47/953042547.db2.gz BIOVLOYABWWETF-LBPRGKRZSA-N -1 3 382.432 0.379 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571205813 953042554 /nfs/dbraw/zinc/04/25/54/953042554.db2.gz BIOVLOYABWWETF-LBPRGKRZSA-N -1 3 382.432 0.379 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CCN(C(=O)Cc3cnc[nH]3)[C@H](C)C2)n1 ZINC001571205825 953042899 /nfs/dbraw/zinc/04/28/99/953042899.db2.gz BOQLNJVVISDHMQ-NEPJUHHUSA-N -1 3 382.432 0.722 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)Cc3cnc[nH]3)[C@H](C)C2)n1 ZINC001571205825 953042902 /nfs/dbraw/zinc/04/29/02/953042902.db2.gz BOQLNJVVISDHMQ-NEPJUHHUSA-N -1 3 382.432 0.722 20 0 GCADHM CCn1nncc1C(=O)NC1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001571205857 953043131 /nfs/dbraw/zinc/04/31/31/953043131.db2.gz CDPCUXBFTBEUQK-UHFFFAOYSA-N -1 3 382.432 0.580 20 0 GCADHM CCn1nncc1C(=O)NC1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001571205857 953043134 /nfs/dbraw/zinc/04/31/34/953043134.db2.gz CDPCUXBFTBEUQK-UHFFFAOYSA-N -1 3 382.432 0.580 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CC[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)nnn1C ZINC001571205868 953043886 /nfs/dbraw/zinc/04/38/86/953043886.db2.gz CLZORAUSDVRDOG-VXGBXAGGSA-N -1 3 382.432 0.709 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CC[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)nnn1C ZINC001571205868 953043890 /nfs/dbraw/zinc/04/38/90/953043890.db2.gz CLZORAUSDVRDOG-VXGBXAGGSA-N -1 3 382.432 0.709 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)CCc1c[nH]cn1)c1cncc(-c2nnn[n-]2)n1 ZINC001571206138 953047149 /nfs/dbraw/zinc/04/71/49/953047149.db2.gz DPTPKYTVMQMQCV-ZDUSSCGKSA-N -1 3 382.432 0.440 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)CCc1c[nH]cn1)c1cncc(-c2nn[n-]n2)n1 ZINC001571206138 953047150 /nfs/dbraw/zinc/04/71/50/953047150.db2.gz DPTPKYTVMQMQCV-ZDUSSCGKSA-N -1 3 382.432 0.440 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206106 953047170 /nfs/dbraw/zinc/04/71/70/953047170.db2.gz DGJJJWNLUGNVOZ-JQWIXIFHSA-N -1 3 382.432 0.404 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206106 953047173 /nfs/dbraw/zinc/04/71/73/953047173.db2.gz DGJJJWNLUGNVOZ-JQWIXIFHSA-N -1 3 382.432 0.404 20 0 GCADHM Cn1cccc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001571206281 953048760 /nfs/dbraw/zinc/04/87/60/953048760.db2.gz ODBKKHBWPMVFMG-CQSZACIVSA-N -1 3 382.428 0.814 20 0 GCADHM Cn1cccc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001571206281 953048764 /nfs/dbraw/zinc/04/87/64/953048764.db2.gz ODBKKHBWPMVFMG-CQSZACIVSA-N -1 3 382.428 0.814 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)n1 ZINC001571206245 953048833 /nfs/dbraw/zinc/04/88/33/953048833.db2.gz FCVDAULLZLGRKR-NSHDSACASA-N -1 3 382.432 0.361 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)n1 ZINC001571206245 953048837 /nfs/dbraw/zinc/04/88/37/953048837.db2.gz FCVDAULLZLGRKR-NSHDSACASA-N -1 3 382.432 0.361 20 0 GCADHM CCn1nc(C)c(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C)n1 ZINC001571206328 953050408 /nfs/dbraw/zinc/05/04/08/953050408.db2.gz FPFKVIDGIATPKS-ZWNOBZJWSA-N -1 3 382.432 0.436 20 0 GCADHM CCn1nc(C)c(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C)n1 ZINC001571206328 953050409 /nfs/dbraw/zinc/05/04/09/953050409.db2.gz FPFKVIDGIATPKS-ZWNOBZJWSA-N -1 3 382.432 0.436 20 0 GCADHM CCc1cc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nnn[n-]4)cn3)C2)[nH]n1 ZINC001571206431 953050928 /nfs/dbraw/zinc/05/09/28/953050928.db2.gz ULMIEQASVYNFGW-GFCCVEGCSA-N -1 3 382.432 0.683 20 0 GCADHM CCc1cc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)[nH]n1 ZINC001571206431 953050931 /nfs/dbraw/zinc/05/09/31/953050931.db2.gz ULMIEQASVYNFGW-GFCCVEGCSA-N -1 3 382.432 0.683 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001571206574 953052747 /nfs/dbraw/zinc/05/27/47/953052747.db2.gz RCFBEZZGPRDXIX-IACUBPJLSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001571206574 953052750 /nfs/dbraw/zinc/05/27/50/953052750.db2.gz RCFBEZZGPRDXIX-IACUBPJLSA-N -1 3 382.432 0.954 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571206697 953053986 /nfs/dbraw/zinc/05/39/86/953053986.db2.gz JKGRZBQAMLBKCS-VXGBXAGGSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571206697 953053990 /nfs/dbraw/zinc/05/39/90/953053990.db2.gz JKGRZBQAMLBKCS-VXGBXAGGSA-N -1 3 382.432 0.836 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571206754 953055236 /nfs/dbraw/zinc/05/52/36/953055236.db2.gz XBYDDOZBCXZKFR-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571206754 953055237 /nfs/dbraw/zinc/05/52/37/953055237.db2.gz XBYDDOZBCXZKFR-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM CCn1nccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001571206786 953055514 /nfs/dbraw/zinc/05/55/14/953055514.db2.gz KRJGMLUHFVRRHW-RYUDHWBXSA-N -1 3 382.432 0.978 20 0 GCADHM CCn1nccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001571206786 953055519 /nfs/dbraw/zinc/05/55/19/953055519.db2.gz KRJGMLUHFVRRHW-RYUDHWBXSA-N -1 3 382.432 0.978 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1)c1cncc(-c2nnn[n-]2)n1 ZINC001571206748 953055603 /nfs/dbraw/zinc/05/56/03/953055603.db2.gz KHHAUSCYWZLOQD-LBPRGKRZSA-N -1 3 382.432 0.440 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1)c1cncc(-c2nn[n-]n2)n1 ZINC001571206748 953055607 /nfs/dbraw/zinc/05/56/07/953055607.db2.gz KHHAUSCYWZLOQD-LBPRGKRZSA-N -1 3 382.432 0.440 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]2C)n1 ZINC001571206803 953056197 /nfs/dbraw/zinc/05/61/97/953056197.db2.gz KUAPKUYPOPBYLZ-CMPLNLGQSA-N -1 3 382.432 0.899 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571206930 953057681 /nfs/dbraw/zinc/05/76/81/953057681.db2.gz UBKVDFFIBJTELO-QLFBSQMISA-N -1 3 382.428 0.110 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571206930 953057683 /nfs/dbraw/zinc/05/76/83/953057683.db2.gz UBKVDFFIBJTELO-QLFBSQMISA-N -1 3 382.428 0.110 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)Cc3cc[nH]n3)CC2(C)C)n1 ZINC001571207075 953058860 /nfs/dbraw/zinc/05/88/60/953058860.db2.gz MRBZUQFKCBBBKX-CYBMUJFWSA-N -1 3 382.432 0.580 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)Cc3cc[nH]n3)CC2(C)C)n1 ZINC001571207075 953058862 /nfs/dbraw/zinc/05/88/62/953058862.db2.gz MRBZUQFKCBBBKX-CYBMUJFWSA-N -1 3 382.432 0.580 20 0 GCADHM CCn1nncc1C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571207104 953059122 /nfs/dbraw/zinc/05/91/22/953059122.db2.gz NEEOLHXEONDGRX-UHFFFAOYSA-N -1 3 382.432 0.980 20 0 GCADHM CCn1nncc1C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571207104 953059126 /nfs/dbraw/zinc/05/91/26/953059126.db2.gz NEEOLHXEONDGRX-UHFFFAOYSA-N -1 3 382.432 0.980 20 0 GCADHM CCn1cc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)[C@@H](C)C2)nn1 ZINC001571207050 953059275 /nfs/dbraw/zinc/05/92/75/953059275.db2.gz MBTSSMSIYUTHTC-NWDGAFQWSA-N -1 3 382.432 0.660 20 0 GCADHM CCn1cc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)[C@@H](C)C2)nn1 ZINC001571207050 953059278 /nfs/dbraw/zinc/05/92/78/953059278.db2.gz MBTSSMSIYUTHTC-NWDGAFQWSA-N -1 3 382.432 0.660 20 0 GCADHM CCn1cc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)[C@H](C)C2)nn1 ZINC001571207052 953059494 /nfs/dbraw/zinc/05/94/94/953059494.db2.gz MBTSSMSIYUTHTC-VXGBXAGGSA-N -1 3 382.432 0.660 20 0 GCADHM CCn1cc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)[C@H](C)C2)nn1 ZINC001571207052 953059497 /nfs/dbraw/zinc/05/94/97/953059497.db2.gz MBTSSMSIYUTHTC-VXGBXAGGSA-N -1 3 382.432 0.660 20 0 GCADHM Cc1c(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)nnn1C ZINC001571207285 953062130 /nfs/dbraw/zinc/06/21/30/953062130.db2.gz PNCYNTPWXMCVGG-UHFFFAOYSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1c(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)nnn1C ZINC001571207285 953062134 /nfs/dbraw/zinc/06/21/34/953062134.db2.gz PNCYNTPWXMCVGG-UHFFFAOYSA-N -1 3 382.432 0.852 20 0 GCADHM CCn1nc(C)c(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C)n1 ZINC001571207463 953063544 /nfs/dbraw/zinc/06/35/44/953063544.db2.gz SCHFSFWATMWGDU-GXFFZTMASA-N -1 3 382.432 0.897 20 0 GCADHM CCn1nc(C)c(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@@H]2C)n1 ZINC001571207463 953063548 /nfs/dbraw/zinc/06/35/48/953063548.db2.gz SCHFSFWATMWGDU-GXFFZTMASA-N -1 3 382.432 0.897 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC2CCN(C(=O)CCc3c[nH]cn3)CC2)n1 ZINC001571207523 953064460 /nfs/dbraw/zinc/06/44/60/953064460.db2.gz VPVKREJBNDLEEV-UHFFFAOYSA-N -1 3 382.432 0.724 20 0 GCADHM CCn1ncc(C(=O)NCC2CC(Nc3nc(C)ccc3-c3nnn[n-]3)C2)n1 ZINC001571207520 953064759 /nfs/dbraw/zinc/06/47/59/953064759.db2.gz VLTCEBVYRPWUHI-UHFFFAOYSA-N -1 3 382.432 0.802 20 0 GCADHM CCn1ncc(C(=O)NCC2CC(Nc3nc(C)ccc3-c3nn[n-]n3)C2)n1 ZINC001571207520 953064762 /nfs/dbraw/zinc/06/47/62/953064762.db2.gz VLTCEBVYRPWUHI-UHFFFAOYSA-N -1 3 382.432 0.802 20 0 GCADHM Cc1nccn1CC(=O)N1CCC(Nc2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571207659 953065101 /nfs/dbraw/zinc/06/51/01/953065101.db2.gz ZFAFVONKQVNGAL-UHFFFAOYSA-N -1 3 382.432 0.573 20 0 GCADHM Cc1nccn1CC(=O)N1CCC(Nc2nc(C)cc(-c3nn[n-]n3)n2)CC1 ZINC001571207659 953065104 /nfs/dbraw/zinc/06/51/04/953065104.db2.gz ZFAFVONKQVNGAL-UHFFFAOYSA-N -1 3 382.432 0.573 20 0 GCADHM Cn1ncc(CCC(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571209678 953066080 /nfs/dbraw/zinc/06/60/80/953066080.db2.gz AUMVYEHBFJCVRW-AWEZNQCLSA-N -1 3 382.432 0.426 20 0 GCADHM Cn1ncc(CCC(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571209678 953066085 /nfs/dbraw/zinc/06/60/85/953066085.db2.gz AUMVYEHBFJCVRW-AWEZNQCLSA-N -1 3 382.432 0.426 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@H]2CCC[C@@H](C1)N2CCn1cncn1 ZINC001571209819 953068147 /nfs/dbraw/zinc/06/81/47/953068147.db2.gz FQVIPFBPALCPQJ-BETUJISGSA-N -1 3 382.432 0.165 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC(CCNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571209880 953068699 /nfs/dbraw/zinc/06/86/99/953068699.db2.gz HNLISQIONKXNQQ-UHFFFAOYSA-N -1 3 382.432 0.663 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC(CCNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571209880 953068701 /nfs/dbraw/zinc/06/87/01/953068701.db2.gz HNLISQIONKXNQQ-UHFFFAOYSA-N -1 3 382.432 0.663 20 0 GCADHM Cn1cncc1CC(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211625 953078356 /nfs/dbraw/zinc/07/83/56/953078356.db2.gz CXMQRLBZEDTXBA-GFCCVEGCSA-N -1 3 382.432 0.283 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nc3)C2)c1N ZINC001571211618 953078852 /nfs/dbraw/zinc/07/88/52/953078852.db2.gz CSIWIFLMLPFLQS-NSHDSACASA-N -1 3 382.432 0.542 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nc3)C2)c1N ZINC001571211618 953078857 /nfs/dbraw/zinc/07/88/57/953078857.db2.gz CSIWIFLMLPFLQS-NSHDSACASA-N -1 3 382.432 0.542 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2ccnc(-c3nnn[n-]3)n2)[nH]n1 ZINC001571211866 953081261 /nfs/dbraw/zinc/08/12/61/953081261.db2.gz HPDNPNLUJIIFRM-DGCLKSJQSA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2ccnc(-c3nnn[n-]3)n2)n[nH]1 ZINC001571211866 953081265 /nfs/dbraw/zinc/08/12/65/953081265.db2.gz HPDNPNLUJIIFRM-DGCLKSJQSA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571211866 953081268 /nfs/dbraw/zinc/08/12/68/953081268.db2.gz HPDNPNLUJIIFRM-DGCLKSJQSA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n[nH]1 ZINC001571211866 953081270 /nfs/dbraw/zinc/08/12/70/953081270.db2.gz HPDNPNLUJIIFRM-DGCLKSJQSA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cncn1CC(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571211853 953081278 /nfs/dbraw/zinc/08/12/78/953081278.db2.gz HILIIIMMEBPCCJ-STQMWFEESA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cncn1CC(=O)N1CC[C@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571211853 953081280 /nfs/dbraw/zinc/08/12/80/953081280.db2.gz HILIIIMMEBPCCJ-STQMWFEESA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)Cn3cncn3)CC2(C)C)ccc1-c1nnn[n-]1 ZINC001571211906 953082801 /nfs/dbraw/zinc/08/28/01/953082801.db2.gz IKLTTXJCPAAETB-CYBMUJFWSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)Cn3cncn3)CC2(C)C)ccc1-c1nn[n-]n1 ZINC001571211906 953082806 /nfs/dbraw/zinc/08/28/06/953082806.db2.gz IKLTTXJCPAAETB-CYBMUJFWSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nc(NC[C@@]2(C)CCN(C(=O)c3cnn(C)n3)C2)ccc1-c1nnn[n-]1 ZINC001571212144 953084943 /nfs/dbraw/zinc/08/49/43/953084943.db2.gz JSIAPXZSJTXGKW-QGZVFWFLSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1nc(NC[C@@]2(C)CCN(C(=O)c3cnn(C)n3)C2)ccc1-c1nn[n-]n1 ZINC001571212144 953084946 /nfs/dbraw/zinc/08/49/46/953084946.db2.gz JSIAPXZSJTXGKW-QGZVFWFLSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)Cn3cncn3)CC2)ccc1-c1nnn[n-]1 ZINC001571212135 953084994 /nfs/dbraw/zinc/08/49/94/953084994.db2.gz JLJVOCXCTCTNQQ-CYBMUJFWSA-N -1 3 382.432 0.337 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)Cn3cncn3)CC2)ccc1-c1nn[n-]n1 ZINC001571212135 953084998 /nfs/dbraw/zinc/08/49/98/953084998.db2.gz JLJVOCXCTCTNQQ-CYBMUJFWSA-N -1 3 382.432 0.337 20 0 GCADHM Cc1nccn1CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571212182 953085015 /nfs/dbraw/zinc/08/50/15/953085015.db2.gz KPCYSCPPPLUQPA-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1nccn1CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571212182 953085018 /nfs/dbraw/zinc/08/50/18/953085018.db2.gz KPCYSCPPPLUQPA-CYBMUJFWSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1nccn1CC(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571212202 953085230 /nfs/dbraw/zinc/08/52/30/953085230.db2.gz LFVATHPXSRSGLQ-UHFFFAOYSA-N -1 3 382.432 0.077 20 0 GCADHM Cc1nc(C)c(C(=O)N2CC[C@H](CN(C)c3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571212399 953088256 /nfs/dbraw/zinc/08/82/56/953088256.db2.gz NTKONOPHVOCJGJ-GFCCVEGCSA-N -1 3 382.432 0.595 20 0 GCADHM Cc1nnc(CC(=O)N(C)C2CC(Nc3nc(C)ccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571212395 953088281 /nfs/dbraw/zinc/08/82/81/953088281.db2.gz NNXBEMCVYPEMQM-UHFFFAOYSA-N -1 3 382.432 0.641 20 0 GCADHM Cc1nnc(CC(=O)N(C)C2CC(Nc3nc(C)ccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571212395 953088286 /nfs/dbraw/zinc/08/82/86/953088286.db2.gz NNXBEMCVYPEMQM-UHFFFAOYSA-N -1 3 382.432 0.641 20 0 GCADHM Cc1nc(N[C@H]2CCCN(C(=O)CCn3cncn3)C2)ccc1-c1nnn[n-]1 ZINC001571212708 953090244 /nfs/dbraw/zinc/09/02/44/953090244.db2.gz OJLOEZCMQBZYLH-ZDUSSCGKSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1nc(N[C@H]2CCCN(C(=O)CCn3cncn3)C2)ccc1-c1nn[n-]n1 ZINC001571212708 953090246 /nfs/dbraw/zinc/09/02/46/953090246.db2.gz OJLOEZCMQBZYLH-ZDUSSCGKSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCC[C@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571213180 953093012 /nfs/dbraw/zinc/09/30/12/953093012.db2.gz ROVIEVQPPUVOKD-RYUDHWBXSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCC[C@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571213180 953093014 /nfs/dbraw/zinc/09/30/14/953093014.db2.gz ROVIEVQPPUVOKD-RYUDHWBXSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571213423 953094309 /nfs/dbraw/zinc/09/43/09/953094309.db2.gz SPADXVYGHSVRID-CYBMUJFWSA-N -1 3 382.432 0.337 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571213423 953094316 /nfs/dbraw/zinc/09/43/16/953094316.db2.gz SPADXVYGHSVRID-CYBMUJFWSA-N -1 3 382.432 0.337 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CN(C(=O)c3ncn(C)n3)CC2(C)C)n1 ZINC001571213425 953094566 /nfs/dbraw/zinc/09/45/66/953094566.db2.gz SPAHGHKZIPBILK-GFCCVEGCSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CN(C(=O)c3ncn(C)n3)CC2(C)C)n1 ZINC001571213425 953094570 /nfs/dbraw/zinc/09/45/70/953094570.db2.gz SPAHGHKZIPBILK-GFCCVEGCSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC2(C)CCN(C(=O)c3cnn(C)n3)CC2)n1 ZINC001571213811 953097729 /nfs/dbraw/zinc/09/77/29/953097729.db2.gz WMSAKUYJYSNXJN-UHFFFAOYSA-N -1 3 382.432 0.805 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC2(C)CCN(C(=O)c3cnn(C)n3)CC2)n1 ZINC001571213811 953097731 /nfs/dbraw/zinc/09/77/31/953097731.db2.gz WMSAKUYJYSNXJN-UHFFFAOYSA-N -1 3 382.432 0.805 20 0 GCADHM Cc1nnc(CC(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)[nH]1 ZINC001571214137 953099577 /nfs/dbraw/zinc/09/95/77/953099577.db2.gz YNVQBAPWEFPLGW-LBPRGKRZSA-N -1 3 382.432 0.276 20 0 GCADHM Cc1nnc(CC(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)[nH]1 ZINC001571214136 953099761 /nfs/dbraw/zinc/09/97/61/953099761.db2.gz YNVQBAPWEFPLGW-GFCCVEGCSA-N -1 3 382.432 0.276 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](N(C)c3nc(C)ccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571214229 953100427 /nfs/dbraw/zinc/10/04/27/953100427.db2.gz ZPVYTYDUDGFDOI-GFCCVEGCSA-N -1 3 382.432 0.276 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](N(C)c3nc(C)ccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571214229 953100429 /nfs/dbraw/zinc/10/04/29/953100429.db2.gz ZPVYTYDUDGFDOI-GFCCVEGCSA-N -1 3 382.432 0.276 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)[C@H]1C ZINC001571214253 953101070 /nfs/dbraw/zinc/10/10/70/953101070.db2.gz ZQXIJJWGTKKOMZ-AAEUAGOBSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)[C@H]1C ZINC001571214253 953101073 /nfs/dbraw/zinc/10/10/73/953101073.db2.gz ZQXIJJWGTKKOMZ-AAEUAGOBSA-N -1 3 382.432 0.335 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571214328 953102014 /nfs/dbraw/zinc/10/20/14/953102014.db2.gz XLMJTIAJHHFWBS-VZEFYGNVSA-N -1 3 382.472 0.972 20 0 GCADHM NC(=O)C12CCC(CC1)N2S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001571217332 953107372 /nfs/dbraw/zinc/10/73/72/953107372.db2.gz FSQVFMKGUJDQQB-UHFFFAOYSA-N -1 3 382.833 0.691 20 0 GCADHM NC(=O)C12CCC(CC1)N2S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001571217332 953107375 /nfs/dbraw/zinc/10/73/75/953107375.db2.gz FSQVFMKGUJDQQB-UHFFFAOYSA-N -1 3 382.833 0.691 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1cccc(F)c1 ZINC001571217279 953107418 /nfs/dbraw/zinc/10/74/18/953107418.db2.gz HTBZJZGLKYHQHU-HOCLYGCPSA-N -1 3 383.387 0.770 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1cccc(F)c1 ZINC001571217279 953107419 /nfs/dbraw/zinc/10/74/19/953107419.db2.gz HTBZJZGLKYHQHU-HOCLYGCPSA-N -1 3 383.387 0.770 20 0 GCADHM O=C(Cc1ccc(F)cc1)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571217845 953111085 /nfs/dbraw/zinc/11/10/85/953111085.db2.gz QCWSWISHGRQUAJ-HUUCEWRRSA-N -1 3 383.387 0.309 20 0 GCADHM O=C(Cc1ccc(F)cc1)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571217845 953111086 /nfs/dbraw/zinc/11/10/86/953111086.db2.gz QCWSWISHGRQUAJ-HUUCEWRRSA-N -1 3 383.387 0.309 20 0 GCADHM O=C(c1ccc(CO)nc1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001571217861 953111118 /nfs/dbraw/zinc/11/11/18/953111118.db2.gz QZALITPHEJNZFS-UHFFFAOYSA-N -1 3 383.387 0.856 20 0 GCADHM O=C(Cn1cccn1)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001571218638 953117304 /nfs/dbraw/zinc/11/73/04/953117304.db2.gz CUXWLWWCNUIWNN-BETUJISGSA-N -1 3 383.391 0.192 20 0 GCADHM O=C(Cn1cccn1)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001571218638 953117307 /nfs/dbraw/zinc/11/73/07/953117307.db2.gz CUXWLWWCNUIWNN-BETUJISGSA-N -1 3 383.391 0.192 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(=O)[nH]c1=O ZINC001571218576 953117325 /nfs/dbraw/zinc/11/73/25/953117325.db2.gz BTLFVNUWAPCOAP-UHFFFAOYSA-N -1 3 383.412 0.743 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(=O)[nH]c1=O ZINC001571218576 953117328 /nfs/dbraw/zinc/11/73/28/953117328.db2.gz BTLFVNUWAPCOAP-UHFFFAOYSA-N -1 3 383.412 0.743 20 0 GCADHM O=C(CC(F)(F)F)N1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001571218761 953118995 /nfs/dbraw/zinc/11/89/95/953118995.db2.gz QFVQAMONRILINK-GZMMTYOYSA-N -1 3 383.334 0.820 20 0 GCADHM O=C(CC(F)(F)F)N1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571218761 953119000 /nfs/dbraw/zinc/11/90/00/953119000.db2.gz QFVQAMONRILINK-GZMMTYOYSA-N -1 3 383.334 0.820 20 0 GCADHM COC(=O)[C@]1(O)CCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001571218830 953119591 /nfs/dbraw/zinc/11/95/91/953119591.db2.gz RUADDVOIYRNMIE-KRWDZBQOSA-N -1 3 383.368 0.563 20 0 GCADHM COC(=O)[C@]1(O)CCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001571218830 953119595 /nfs/dbraw/zinc/11/95/95/953119595.db2.gz RUADDVOIYRNMIE-KRWDZBQOSA-N -1 3 383.368 0.563 20 0 GCADHM O=C([C@H]1CC1(F)F)N1CCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571218924 953120896 /nfs/dbraw/zinc/12/08/96/953120896.db2.gz SMHJSYPBGKASFN-VHSXEESVSA-N -1 3 383.334 0.695 20 0 GCADHM O=C([C@H]1CC1(F)F)N1CCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571218924 953120900 /nfs/dbraw/zinc/12/09/00/953120900.db2.gz SMHJSYPBGKASFN-VHSXEESVSA-N -1 3 383.334 0.695 20 0 GCADHM O=C(c1cn2c(n1)CCC2)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571218969 953121791 /nfs/dbraw/zinc/12/17/91/953121791.db2.gz IGLMCGXYCDFSML-LLVKDONJSA-N -1 3 383.391 0.870 20 0 GCADHM O=C(c1cn2c(n1)CCC2)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571218969 953121793 /nfs/dbraw/zinc/12/17/93/953121793.db2.gz IGLMCGXYCDFSML-LLVKDONJSA-N -1 3 383.391 0.870 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571219154 953123290 /nfs/dbraw/zinc/12/32/90/953123290.db2.gz KLTPLOARPKBAJR-DGCLKSJQSA-N -1 3 383.412 0.855 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571219154 953123293 /nfs/dbraw/zinc/12/32/93/953123293.db2.gz KLTPLOARPKBAJR-DGCLKSJQSA-N -1 3 383.412 0.855 20 0 GCADHM Cc1ccnc(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)[C@@H]2C)n1 ZINC001571219181 953123353 /nfs/dbraw/zinc/12/33/53/953123353.db2.gz LINGHRXLKIKLKC-MFKMUULPSA-N -1 3 383.391 0.896 20 0 GCADHM Cc1ccnc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)[C@@H]2C)n1 ZINC001571219181 953123356 /nfs/dbraw/zinc/12/33/56/953123356.db2.gz LINGHRXLKIKLKC-MFKMUULPSA-N -1 3 383.391 0.896 20 0 GCADHM Cc1ncncc1C(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571219206 953124399 /nfs/dbraw/zinc/12/43/99/953124399.db2.gz LYMNNXGXVTVIPE-QGZVFWFLSA-N -1 3 383.391 0.898 20 0 GCADHM Cc1ncncc1C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571219206 953124403 /nfs/dbraw/zinc/12/44/03/953124403.db2.gz LYMNNXGXVTVIPE-QGZVFWFLSA-N -1 3 383.391 0.898 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)cnn1 ZINC001571219371 953124915 /nfs/dbraw/zinc/12/49/15/953124915.db2.gz NZBLAIDCYRQUKM-ZDUSSCGKSA-N -1 3 383.391 0.898 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)cnn1 ZINC001571219371 953124917 /nfs/dbraw/zinc/12/49/17/953124917.db2.gz NZBLAIDCYRQUKM-ZDUSSCGKSA-N -1 3 383.391 0.898 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncc(F)cn1)C2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571219739 953126892 /nfs/dbraw/zinc/12/68/92/953126892.db2.gz RMVXHOPHXHYRKD-XDTLVQLUSA-N -1 3 383.391 0.911 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncc(F)cn1)C2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571219739 953126895 /nfs/dbraw/zinc/12/68/95/953126895.db2.gz RMVXHOPHXHYRKD-XDTLVQLUSA-N -1 3 383.391 0.911 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222254 953132735 /nfs/dbraw/zinc/13/27/35/953132735.db2.gz BKLVWWOKCBUJPI-MWLCHTKSSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222254 953132737 /nfs/dbraw/zinc/13/27/37/953132737.db2.gz BKLVWWOKCBUJPI-MWLCHTKSSA-N -1 3 383.416 0.513 20 0 GCADHM COc1nccc(CN2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571222305 953133069 /nfs/dbraw/zinc/13/30/69/953133069.db2.gz DMLKWJXHBVESQB-QGZVFWFLSA-N -1 3 383.416 0.388 20 0 GCADHM CCn1cnc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571222344 953133189 /nfs/dbraw/zinc/13/31/89/953133189.db2.gz DTPVNIAFCKXRFD-KLPPZKSPSA-N -1 3 383.416 0.350 20 0 GCADHM CCn1cnc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571222344 953133191 /nfs/dbraw/zinc/13/31/91/953133191.db2.gz DTPVNIAFCKXRFD-KLPPZKSPSA-N -1 3 383.416 0.350 20 0 GCADHM COc1nccc(CN2CC[C@](C)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571222303 953133251 /nfs/dbraw/zinc/13/32/51/953133251.db2.gz DMLKWJXHBVESQB-KRWDZBQOSA-N -1 3 383.416 0.388 20 0 GCADHM CCc1nnc(NCc2cn(C3CC3)c(=O)[nH]c2=O)c(-c2nnn[n-]2)c1CC ZINC001571222298 953133422 /nfs/dbraw/zinc/13/34/22/953133422.db2.gz DKGSQKLKVLLADA-UHFFFAOYSA-N -1 3 383.416 0.991 20 0 GCADHM CCc1nnc(NCc2cn(C3CC3)c(=O)[nH]c2=O)c(-c2nn[n-]n2)c1CC ZINC001571222298 953133428 /nfs/dbraw/zinc/13/34/28/953133428.db2.gz DKGSQKLKVLLADA-UHFFFAOYSA-N -1 3 383.416 0.991 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571222386 953134035 /nfs/dbraw/zinc/13/40/35/953134035.db2.gz HOJQNJYENBEHQY-GHMZBOCLSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571222386 953134038 /nfs/dbraw/zinc/13/40/38/953134038.db2.gz HOJQNJYENBEHQY-GHMZBOCLSA-N -1 3 383.416 0.488 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)n1 ZINC001571222357 953134248 /nfs/dbraw/zinc/13/42/48/953134248.db2.gz FBOZQOOCWBUSBE-JQWIXIFHSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)n1 ZINC001571222357 953134249 /nfs/dbraw/zinc/13/42/49/953134249.db2.gz FBOZQOOCWBUSBE-JQWIXIFHSA-N -1 3 383.416 0.649 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001571222404 953134257 /nfs/dbraw/zinc/13/42/57/953134257.db2.gz HXBDJUWNGZSBKN-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001571222404 953134258 /nfs/dbraw/zinc/13/42/58/953134258.db2.gz HXBDJUWNGZSBKN-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccnn1C ZINC001571222417 953134327 /nfs/dbraw/zinc/13/43/27/953134327.db2.gz IDGAHSVSZZPICY-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccnn1C ZINC001571222417 953134328 /nfs/dbraw/zinc/13/43/28/953134328.db2.gz IDGAHSVSZZPICY-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)o1 ZINC001571222400 953134352 /nfs/dbraw/zinc/13/43/52/953134352.db2.gz HVDOZYKQKIJUTJ-HUUCEWRRSA-N -1 3 383.412 0.462 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)o1 ZINC001571222400 953134353 /nfs/dbraw/zinc/13/43/53/953134353.db2.gz HVDOZYKQKIJUTJ-HUUCEWRRSA-N -1 3 383.412 0.462 20 0 GCADHM CCn1ccnc1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222503 953134892 /nfs/dbraw/zinc/13/48/92/953134892.db2.gz GXYGHVVZJNPHAU-LLVKDONJSA-N -1 3 383.416 0.303 20 0 GCADHM CCn1ccnc1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222503 953134895 /nfs/dbraw/zinc/13/48/95/953134895.db2.gz GXYGHVVZJNPHAU-LLVKDONJSA-N -1 3 383.416 0.303 20 0 GCADHM COCCn1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571222495 953135197 /nfs/dbraw/zinc/13/51/97/953135197.db2.gz GUENEVYEXBHGJG-AWEZNQCLSA-N -1 3 383.416 0.431 20 0 GCADHM COCCn1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571222495 953135201 /nfs/dbraw/zinc/13/52/01/953135201.db2.gz GUENEVYEXBHGJG-AWEZNQCLSA-N -1 3 383.416 0.431 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571222551 953135805 /nfs/dbraw/zinc/13/58/05/953135805.db2.gz IWBQDUJIFCGJBQ-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571222551 953135810 /nfs/dbraw/zinc/13/58/10/953135810.db2.gz IWBQDUJIFCGJBQ-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nn1C ZINC001571222626 953136739 /nfs/dbraw/zinc/13/67/39/953136739.db2.gz ICFGUSYHAOCXGM-NSHDSACASA-N -1 3 383.416 0.260 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nn1C ZINC001571222626 953136745 /nfs/dbraw/zinc/13/67/45/953136745.db2.gz ICFGUSYHAOCXGM-NSHDSACASA-N -1 3 383.416 0.260 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222648 953137060 /nfs/dbraw/zinc/13/70/60/953137060.db2.gz IGNTXWYICFIQPY-SECBINFHSA-N -1 3 383.416 0.371 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC001571222745 953137896 /nfs/dbraw/zinc/13/78/96/953137896.db2.gz KUWDXSALBJOHFG-NSHDSACASA-N -1 3 383.416 0.802 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCN(Cc2nnc(C3CC3)o2)C1 ZINC001571222745 953137900 /nfs/dbraw/zinc/13/79/00/953137900.db2.gz KUWDXSALBJOHFG-NSHDSACASA-N -1 3 383.416 0.802 20 0 GCADHM COc1nn(C)cc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571222798 953138553 /nfs/dbraw/zinc/13/85/53/953138553.db2.gz MLUIEFYUCFGBHE-LBPRGKRZSA-N -1 3 383.416 0.721 20 0 GCADHM COc1nn(C)cc1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571222798 953138555 /nfs/dbraw/zinc/13/85/55/953138555.db2.gz MLUIEFYUCFGBHE-LBPRGKRZSA-N -1 3 383.416 0.721 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571222785 953138821 /nfs/dbraw/zinc/13/88/21/953138821.db2.gz MEPKNXSAJLRLGK-ZYHUDNBSSA-N -1 3 383.416 0.521 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571222785 953138825 /nfs/dbraw/zinc/13/88/25/953138825.db2.gz MEPKNXSAJLRLGK-ZYHUDNBSSA-N -1 3 383.416 0.521 20 0 GCADHM CN(C(=O)c1cn[nH]c1)C1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571222802 953139015 /nfs/dbraw/zinc/13/90/15/953139015.db2.gz MMJYCTHWNZOFTB-UHFFFAOYSA-N -1 3 383.416 0.731 20 0 GCADHM CN(C(=O)c1cn[nH]c1)C1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571222802 953139018 /nfs/dbraw/zinc/13/90/18/953139018.db2.gz MMJYCTHWNZOFTB-UHFFFAOYSA-N -1 3 383.416 0.731 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001571222846 953139838 /nfs/dbraw/zinc/13/98/38/953139838.db2.gz LZURZDKMTYPCAV-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001571222846 953139840 /nfs/dbraw/zinc/13/98/40/953139840.db2.gz LZURZDKMTYPCAV-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM CCn1cnc(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571222987 953140764 /nfs/dbraw/zinc/14/07/64/953140764.db2.gz OOUNESZDJATQEK-UHFFFAOYSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1cnc(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571222987 953140766 /nfs/dbraw/zinc/14/07/66/953140766.db2.gz OOUNESZDJATQEK-UHFFFAOYSA-N -1 3 383.416 0.444 20 0 GCADHM CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571223159 953141558 /nfs/dbraw/zinc/14/15/58/953141558.db2.gz OPLKFOGDXCBRIP-GXTWGEPZSA-N -1 3 383.416 0.063 20 0 GCADHM CCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571223159 953141561 /nfs/dbraw/zinc/14/15/61/953141561.db2.gz OPLKFOGDXCBRIP-GXTWGEPZSA-N -1 3 383.416 0.063 20 0 GCADHM Cc1[nH]nc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)c1C ZINC001571223255 953143039 /nfs/dbraw/zinc/14/30/39/953143039.db2.gz RVEMSPZKIGZPMN-ZDUSSCGKSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1[nH]nc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)c1C ZINC001571223255 953143050 /nfs/dbraw/zinc/14/30/50/953143050.db2.gz RVEMSPZKIGZPMN-ZDUSSCGKSA-N -1 3 383.416 0.237 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001571223248 953143162 /nfs/dbraw/zinc/14/31/62/953143162.db2.gz RPMZYVNCWCRIII-JTQLQIEISA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001571223248 953143164 /nfs/dbraw/zinc/14/31/64/953143164.db2.gz RPMZYVNCWCRIII-JTQLQIEISA-N -1 3 383.416 0.589 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223261 953143341 /nfs/dbraw/zinc/14/33/41/953143341.db2.gz RWRHOLIGARYTRY-ZYHUDNBSSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223261 953143345 /nfs/dbraw/zinc/14/33/45/953143345.db2.gz RWRHOLIGARYTRY-ZYHUDNBSSA-N -1 3 383.416 0.555 20 0 GCADHM COCc1nc(C)cc(N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571223533 953144897 /nfs/dbraw/zinc/14/48/97/953144897.db2.gz UKIDZDGBXPQGNB-LBPRGKRZSA-N -1 3 383.416 0.766 20 0 GCADHM COCc1nc(C)cc(N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571223533 953144900 /nfs/dbraw/zinc/14/49/00/953144900.db2.gz UKIDZDGBXPQGNB-LBPRGKRZSA-N -1 3 383.416 0.766 20 0 GCADHM COc1cncc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571223518 953145218 /nfs/dbraw/zinc/14/52/18/953145218.db2.gz SZCISSFPGFBRKW-JTQLQIEISA-N -1 3 383.416 0.244 20 0 GCADHM COc1cncc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571223518 953145225 /nfs/dbraw/zinc/14/52/25/953145225.db2.gz SZCISSFPGFBRKW-JTQLQIEISA-N -1 3 383.416 0.244 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2cncn2C)CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571223512 953145482 /nfs/dbraw/zinc/14/54/82/953145482.db2.gz SJKLJHJHCGCLLZ-MNOVXSKESA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2cncn2C)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571223512 953145483 /nfs/dbraw/zinc/14/54/83/953145483.db2.gz SJKLJHJHCGCLLZ-MNOVXSKESA-N -1 3 383.416 0.351 20 0 GCADHM COc1ccnc(NC[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571223610 953145810 /nfs/dbraw/zinc/14/58/10/953145810.db2.gz XGOFXCHBPMHYIR-LLVKDONJSA-N -1 3 383.416 0.958 20 0 GCADHM COc1ccnc(NC[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571223610 953145812 /nfs/dbraw/zinc/14/58/12/953145812.db2.gz XGOFXCHBPMHYIR-LLVKDONJSA-N -1 3 383.416 0.958 20 0 GCADHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2COC(=O)C2)ccc1-c1nnn[n-]1 ZINC001571223701 953146321 /nfs/dbraw/zinc/14/63/21/953146321.db2.gz SUUKEXGEDKNGBQ-XPZRHXQJSA-N -1 3 383.412 0.074 20 0 GCADHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2COC(=O)C2)ccc1-c1nn[n-]n1 ZINC001571223701 953146324 /nfs/dbraw/zinc/14/63/24/953146324.db2.gz SUUKEXGEDKNGBQ-XPZRHXQJSA-N -1 3 383.412 0.074 20 0 GCADHM COc1ccnc(NC[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571223611 953146412 /nfs/dbraw/zinc/14/64/12/953146412.db2.gz XGOFXCHBPMHYIR-NSHDSACASA-N -1 3 383.416 0.958 20 0 GCADHM COc1ccnc(NC[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571223611 953146414 /nfs/dbraw/zinc/14/64/14/953146414.db2.gz XGOFXCHBPMHYIR-NSHDSACASA-N -1 3 383.416 0.958 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571223899 953147494 /nfs/dbraw/zinc/14/74/94/953147494.db2.gz ZMSPTYUDOKFHAR-WDEREUQCSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571223899 953147497 /nfs/dbraw/zinc/14/74/97/953147497.db2.gz ZMSPTYUDOKFHAR-WDEREUQCSA-N -1 3 383.416 0.555 20 0 GCADHM COc1c(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)cnn1C ZINC001571223900 953147570 /nfs/dbraw/zinc/14/75/70/953147570.db2.gz ZRELXDWNDMRRTF-LBPRGKRZSA-N -1 3 383.416 0.721 20 0 GCADHM COc1c(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)cnn1C ZINC001571223900 953147572 /nfs/dbraw/zinc/14/75/72/953147572.db2.gz ZRELXDWNDMRRTF-LBPRGKRZSA-N -1 3 383.416 0.721 20 0 GCADHM COc1nc(C)cc(N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001571223852 953147767 /nfs/dbraw/zinc/14/77/67/953147767.db2.gz YKSFMZLDTIRCEY-UHFFFAOYSA-N -1 3 383.416 0.701 20 0 GCADHM COc1nc(C)cc(N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001571223852 953147770 /nfs/dbraw/zinc/14/77/70/953147770.db2.gz YKSFMZLDTIRCEY-UHFFFAOYSA-N -1 3 383.416 0.701 20 0 GCADHM CCn1nccc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001571223880 953147917 /nfs/dbraw/zinc/14/79/17/953147917.db2.gz ZHDJLMLUPUZAJG-CYBMUJFWSA-N -1 3 383.416 0.113 20 0 GCADHM CCn1nccc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001571223880 953147918 /nfs/dbraw/zinc/14/79/18/953147918.db2.gz ZHDJLMLUPUZAJG-CYBMUJFWSA-N -1 3 383.416 0.113 20 0 GCADHM CC[C@H](NC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1)C(=O)NC ZINC001571223971 953148368 /nfs/dbraw/zinc/14/83/68/953148368.db2.gz WIJURSQBTCGBSU-AWEZNQCLSA-N -1 3 383.416 0.758 20 0 GCADHM CC[C@H](NC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1)C(=O)NC ZINC001571223971 953148371 /nfs/dbraw/zinc/14/83/71/953148371.db2.gz WIJURSQBTCGBSU-AWEZNQCLSA-N -1 3 383.416 0.758 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571224065 953148423 /nfs/dbraw/zinc/14/84/23/953148423.db2.gz XROWOIYIXUDDOK-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571224065 953148427 /nfs/dbraw/zinc/14/84/27/953148427.db2.gz XROWOIYIXUDDOK-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001571224058 953148637 /nfs/dbraw/zinc/14/86/37/953148637.db2.gz XPGWVCMCMJJKHD-GXFFZTMASA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001571224058 953148640 /nfs/dbraw/zinc/14/86/40/953148640.db2.gz XPGWVCMCMJJKHD-GXFFZTMASA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)[C@H](C)n2cccn2)C1 ZINC001571224106 953149481 /nfs/dbraw/zinc/14/94/81/953149481.db2.gz YJNRWDIONUAWRX-MNOVXSKESA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)[C@H](C)n2cccn2)C1 ZINC001571224106 953149484 /nfs/dbraw/zinc/14/94/84/953149484.db2.gz YJNRWDIONUAWRX-MNOVXSKESA-N -1 3 383.416 0.229 20 0 GCADHM Cc1ccc(N[C@H](C)[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)nn1 ZINC001571224674 953150701 /nfs/dbraw/zinc/15/07/01/953150701.db2.gz CPEUWVYZLHBQOD-BXUZGUMPSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1ccc(N[C@H](C)[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)nn1 ZINC001571224674 953150703 /nfs/dbraw/zinc/15/07/03/953150703.db2.gz CPEUWVYZLHBQOD-BXUZGUMPSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nccc(N2CCCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571224959 953151838 /nfs/dbraw/zinc/15/18/38/953151838.db2.gz HHNBLWJCLIIMMK-CYBMUJFWSA-N -1 3 383.416 0.319 20 0 GCADHM Cc1nccc(N2CCCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571224959 953151840 /nfs/dbraw/zinc/15/18/40/953151840.db2.gz HHNBLWJCLIIMMK-CYBMUJFWSA-N -1 3 383.416 0.319 20 0 GCADHM Cc1nc(C(=O)N2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H](C)C2)c[nH]1 ZINC001571224975 953151926 /nfs/dbraw/zinc/15/19/26/953151926.db2.gz HUCMHDPOEBUPJB-BXKDBHETSA-N -1 3 383.416 0.364 20 0 GCADHM Cc1nn(C)cc1C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571224954 953152009 /nfs/dbraw/zinc/15/20/09/953152009.db2.gz HEJFFDRHSVORND-UHFFFAOYSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1nn(C)cc1C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571224954 953152011 /nfs/dbraw/zinc/15/20/11/953152011.db2.gz HEJFFDRHSVORND-UHFFFAOYSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[nH]1 ZINC001571225361 953153027 /nfs/dbraw/zinc/15/30/27/953153027.db2.gz JYBDKQXAIPSNBZ-VXGBXAGGSA-N -1 3 383.416 0.697 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001571225361 953153030 /nfs/dbraw/zinc/15/30/30/953153030.db2.gz JYBDKQXAIPSNBZ-VXGBXAGGSA-N -1 3 383.416 0.697 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571225259 953153055 /nfs/dbraw/zinc/15/30/55/953153055.db2.gz IWSMVWIRMVVTOH-KLPPZKSPSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571225259 953153059 /nfs/dbraw/zinc/15/30/59/953153059.db2.gz IWSMVWIRMVVTOH-KLPPZKSPSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571225936 953154588 /nfs/dbraw/zinc/15/45/88/953154588.db2.gz OPVWEDLYXYMVLY-GHMZBOCLSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571225936 953154592 /nfs/dbraw/zinc/15/45/92/953154592.db2.gz OPVWEDLYXYMVLY-GHMZBOCLSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1cc(N[C@@H](C)[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)ncn1 ZINC001571226674 953156568 /nfs/dbraw/zinc/15/65/68/953156568.db2.gz VSFVAOLAXDCCLM-FZMZJTMJSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1cc(N[C@@H](C)[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)ncn1 ZINC001571226674 953156573 /nfs/dbraw/zinc/15/65/73/953156573.db2.gz VSFVAOLAXDCCLM-FZMZJTMJSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1cc(C(=O)NC(C)(C)CNC(N)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC001571226897 953156751 /nfs/dbraw/zinc/15/67/51/953156751.db2.gz WJKAPIQQXMRZMH-UHFFFAOYSA-N -1 3 383.416 0.538 20 0 GCADHM Cc1cc(C(=O)NC(C)(C)CNC(N)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC001571226897 953156755 /nfs/dbraw/zinc/15/67/55/953156755.db2.gz WJKAPIQQXMRZMH-UHFFFAOYSA-N -1 3 383.416 0.538 20 0 GCADHM Cc1c[nH]nc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571226896 953156850 /nfs/dbraw/zinc/15/68/50/953156850.db2.gz WGWAOOLCHATEOD-CMPLNLGQSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1c[nH]nc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571226896 953156852 /nfs/dbraw/zinc/15/68/52/953156852.db2.gz WGWAOOLCHATEOD-CMPLNLGQSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571226654 953156921 /nfs/dbraw/zinc/15/69/21/953156921.db2.gz UWCAFJJHGSZYCR-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571226654 953156923 /nfs/dbraw/zinc/15/69/23/953156923.db2.gz UWCAFJJHGSZYCR-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC001571226899 953156987 /nfs/dbraw/zinc/15/69/87/953156987.db2.gz WJQHBQPSCMLWRI-LBPRGKRZSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC001571226899 953156989 /nfs/dbraw/zinc/15/69/89/953156989.db2.gz WJQHBQPSCMLWRI-LBPRGKRZSA-N -1 3 383.416 0.271 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571227685 953158122 /nfs/dbraw/zinc/15/81/22/953158122.db2.gz AALIRAPLYQJOMQ-GHMZBOCLSA-N -1 3 383.416 0.399 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571227685 953158123 /nfs/dbraw/zinc/15/81/23/953158123.db2.gz AALIRAPLYQJOMQ-GHMZBOCLSA-N -1 3 383.416 0.399 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC001571227099 953158352 /nfs/dbraw/zinc/15/83/52/953158352.db2.gz YODLVUVEULEGEQ-LLVKDONJSA-N -1 3 383.416 0.129 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC001571227099 953158353 /nfs/dbraw/zinc/15/83/53/953158353.db2.gz YODLVUVEULEGEQ-LLVKDONJSA-N -1 3 383.416 0.129 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)[nH]c1=O ZINC001571227829 953159875 /nfs/dbraw/zinc/15/98/75/953159875.db2.gz CQCLSJGWOJEKFL-NSHDSACASA-N -1 3 383.416 0.347 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228001 953161050 /nfs/dbraw/zinc/16/10/50/953161050.db2.gz GESVEIIOYMPNAI-MNOVXSKESA-N -1 3 383.416 0.318 20 0 GCADHM C[C@@H](N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1nnnn1C1CC1 ZINC001571228513 953164707 /nfs/dbraw/zinc/16/47/07/953164707.db2.gz QFPBVYPIMNGTLK-MWLCHTKSSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@@H](N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1nnnn1C1CC1 ZINC001571228513 953164710 /nfs/dbraw/zinc/16/47/10/953164710.db2.gz QFPBVYPIMNGTLK-MWLCHTKSSA-N -1 3 383.420 0.082 20 0 GCADHM Cn1cncc1C(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228635 953166068 /nfs/dbraw/zinc/16/60/68/953166068.db2.gz UKJBABVIWBSZRT-MNOVXSKESA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cncc1C(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228635 953166069 /nfs/dbraw/zinc/16/60/69/953166069.db2.gz UKJBABVIWBSZRT-MNOVXSKESA-N -1 3 383.416 0.257 20 0 GCADHM Cc1nonc1C(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228828 953167022 /nfs/dbraw/zinc/16/70/22/953167022.db2.gz WEUCQWLRJGQADP-PWSUYJOCSA-N -1 3 383.416 0.988 20 0 GCADHM Cc1nonc1C(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228828 953167024 /nfs/dbraw/zinc/16/70/24/953167024.db2.gz WEUCQWLRJGQADP-PWSUYJOCSA-N -1 3 383.416 0.988 20 0 GCADHM CCC1(Nc2nc(C)cc(-c3nnn[n-]3)n2)CCN(C(=O)c2nc[nH]n2)CC1 ZINC001571229045 953167563 /nfs/dbraw/zinc/16/75/63/953167563.db2.gz YULOGZXROMRPGP-UHFFFAOYSA-N -1 3 383.420 0.580 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571229085 953168694 /nfs/dbraw/zinc/16/86/94/953168694.db2.gz ZWLBJYBKOYMNNY-GFCCVEGCSA-N -1 3 383.420 0.085 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571229085 953168695 /nfs/dbraw/zinc/16/86/95/953168695.db2.gz ZWLBJYBKOYMNNY-GFCCVEGCSA-N -1 3 383.420 0.085 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571229088 953168701 /nfs/dbraw/zinc/16/87/01/953168701.db2.gz ZWLBJYBKOYMNNY-LBPRGKRZSA-N -1 3 383.420 0.085 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571229088 953168702 /nfs/dbraw/zinc/16/87/02/953168702.db2.gz ZWLBJYBKOYMNNY-LBPRGKRZSA-N -1 3 383.420 0.085 20 0 GCADHM O=C(Cn1cnnn1)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571229520 953170514 /nfs/dbraw/zinc/17/05/14/953170514.db2.gz HPHHRBJPDGEFGD-AULYBMBSSA-N -1 3 383.420 0.035 20 0 GCADHM O=C(Cn1cnnn1)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571229520 953170519 /nfs/dbraw/zinc/17/05/19/953170519.db2.gz HPHHRBJPDGEFGD-AULYBMBSSA-N -1 3 383.420 0.035 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571229543 953170602 /nfs/dbraw/zinc/17/06/02/953170602.db2.gz IFKOIEVFQPXITC-GXSJLCMTSA-N -1 3 383.420 0.497 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CN(C(=O)c3cn[nH]n3)C[C@H]2C)n1 ZINC001571229693 953171507 /nfs/dbraw/zinc/17/15/07/953171507.db2.gz JYNMHBKLAXPPOV-MWLCHTKSSA-N -1 3 383.420 0.294 20 0 GCADHM COC(=O)CC(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001571229816 953172043 /nfs/dbraw/zinc/17/20/43/953172043.db2.gz OJPPUEYTRFTWBX-UHFFFAOYSA-N -1 3 383.430 0.743 20 0 GCADHM COC(=O)CC(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001571229816 953172045 /nfs/dbraw/zinc/17/20/45/953172045.db2.gz OJPPUEYTRFTWBX-UHFFFAOYSA-N -1 3 383.430 0.743 20 0 GCADHM C[C@]1(C(=O)N2CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)CCC(=O)NC1 ZINC001571230206 953174388 /nfs/dbraw/zinc/17/43/88/953174388.db2.gz AHMDUBYKWWFZMC-IBGZPJMESA-N -1 3 383.456 0.427 20 0 GCADHM C[C@]1(C(=O)N2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)CCC(=O)NC1 ZINC001571230206 953174392 /nfs/dbraw/zinc/17/43/92/953174392.db2.gz AHMDUBYKWWFZMC-IBGZPJMESA-N -1 3 383.456 0.427 20 0 GCADHM Cc1nc(NC2CCC(NC(=O)c3nnn(C)n3)CC2)ccc1-c1nnn[n-]1 ZINC001571230349 953176351 /nfs/dbraw/zinc/17/63/51/953176351.db2.gz WANDONJCTTZPDU-UHFFFAOYSA-N -1 3 383.420 0.247 20 0 GCADHM Cc1nc(NC2CCC(NC(=O)c3nnn(C)n3)CC2)ccc1-c1nn[n-]n1 ZINC001571230349 953176352 /nfs/dbraw/zinc/17/63/52/953176352.db2.gz WANDONJCTTZPDU-UHFFFAOYSA-N -1 3 383.420 0.247 20 0 GCADHM Cn1nnc(C(=O)N2CCCC[C@@H]2CCNc2ncccc2-c2nnn[n-]2)n1 ZINC001571230503 953177725 /nfs/dbraw/zinc/17/77/25/953177725.db2.gz XDOOMSFUULMVGR-LLVKDONJSA-N -1 3 383.420 0.282 20 0 GCADHM Cn1nnc(C(=O)N2CCCC[C@@H]2CCNc2ncccc2-c2nn[n-]n2)n1 ZINC001571230503 953177727 /nfs/dbraw/zinc/17/77/27/953177727.db2.gz XDOOMSFUULMVGR-LLVKDONJSA-N -1 3 383.420 0.282 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCCC[C@H]1CNc1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571230556 953178409 /nfs/dbraw/zinc/17/84/09/953178409.db2.gz XQMXAGXCKUBRGO-NSHDSACASA-N -1 3 383.420 0.498 20 0 GCADHM C[C@@H]1COCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571230974 953181717 /nfs/dbraw/zinc/18/17/17/953181717.db2.gz OPOFDXOHZXTCLM-NYTXWWLZSA-N -1 3 383.456 0.829 20 0 GCADHM C[C@@H]1COCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571230974 953181719 /nfs/dbraw/zinc/18/17/19/953181719.db2.gz OPOFDXOHZXTCLM-NYTXWWLZSA-N -1 3 383.456 0.829 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC34CC4)C2)n1 ZINC001571232108 953185320 /nfs/dbraw/zinc/18/53/20/953185320.db2.gz BFFVYXDWCFTWBO-RRFJBIMHSA-N -1 3 383.456 0.816 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC34CC4)C2)n1 ZINC001571232108 953185323 /nfs/dbraw/zinc/18/53/23/953185323.db2.gz BFFVYXDWCFTWBO-RRFJBIMHSA-N -1 3 383.456 0.816 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CCCC4)C2)n1 ZINC001571232450 953187218 /nfs/dbraw/zinc/18/72/18/953187218.db2.gz FZVJHJQSHOCPDZ-RRFJBIMHSA-N -1 3 383.456 0.816 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CCCC4)C2)n1 ZINC001571232450 953187220 /nfs/dbraw/zinc/18/72/20/953187220.db2.gz FZVJHJQSHOCPDZ-RRFJBIMHSA-N -1 3 383.456 0.816 20 0 GCADHM CSc1ccc(CNS(=O)(=O)N2CCN(C)CC2)cc1-c1nnn[n-]1 ZINC001571235028 953208063 /nfs/dbraw/zinc/20/80/63/953208063.db2.gz QCOYTLSOHYDJBO-UHFFFAOYSA-N -1 3 383.503 0.170 20 0 GCADHM CSc1ccc(CNS(=O)(=O)N2CCN(C)CC2)cc1-c1nn[n-]n1 ZINC001571235028 953208065 /nfs/dbraw/zinc/20/80/65/953208065.db2.gz QCOYTLSOHYDJBO-UHFFFAOYSA-N -1 3 383.503 0.170 20 0 GCADHM CC(F)(F)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001571235249 953210267 /nfs/dbraw/zinc/21/02/67/953210267.db2.gz YIUPCJVZDBLSIK-QWHCGFSZSA-N -1 3 384.362 0.712 20 0 GCADHM O=C(Cc1ccc(F)cn1)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571235345 953211753 /nfs/dbraw/zinc/21/17/53/953211753.db2.gz ARCHVVFETHQRFW-BETUJISGSA-N -1 3 384.375 0.349 20 0 GCADHM O=C(Cc1ccc(F)cn1)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571235345 953211755 /nfs/dbraw/zinc/21/17/55/953211755.db2.gz ARCHVVFETHQRFW-BETUJISGSA-N -1 3 384.375 0.349 20 0 GCADHM Cc1nonc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571235439 953211961 /nfs/dbraw/zinc/21/19/61/953211961.db2.gz FAWUVHSEMICJCH-STQMWFEESA-N -1 3 384.375 0.796 20 0 GCADHM Cc1nonc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571235439 953211965 /nfs/dbraw/zinc/21/19/65/953211965.db2.gz FAWUVHSEMICJCH-STQMWFEESA-N -1 3 384.375 0.796 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1CNC(=O)c1cnco1 ZINC001571235382 953212135 /nfs/dbraw/zinc/21/21/35/953212135.db2.gz BYQAHFUDLHPOSS-WDEREUQCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1CNC(=O)c1cnco1 ZINC001571235382 953212137 /nfs/dbraw/zinc/21/21/37/953212137.db2.gz BYQAHFUDLHPOSS-WDEREUQCSA-N -1 3 384.400 0.711 20 0 GCADHM Nc1nccnc1C(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571235378 953212228 /nfs/dbraw/zinc/21/22/28/953212228.db2.gz BWLRPTNGEJWBSN-UHFFFAOYSA-N -1 3 384.379 0.172 20 0 GCADHM Nc1nccnc1C(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571235378 953212230 /nfs/dbraw/zinc/21/22/30/953212230.db2.gz BWLRPTNGEJWBSN-UHFFFAOYSA-N -1 3 384.379 0.172 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571235456 953212805 /nfs/dbraw/zinc/21/28/05/953212805.db2.gz FQDFTFJJTOEUBK-GXTWGEPZSA-N -1 3 384.400 0.535 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571235456 953212807 /nfs/dbraw/zinc/21/28/07/953212807.db2.gz FQDFTFJJTOEUBK-GXTWGEPZSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571235518 953213095 /nfs/dbraw/zinc/21/30/95/953213095.db2.gz HCRNYDSARWXFTF-WDEREUQCSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571235518 953213097 /nfs/dbraw/zinc/21/30/97/953213097.db2.gz HCRNYDSARWXFTF-WDEREUQCSA-N -1 3 384.400 0.854 20 0 GCADHM O=C(CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)Nc1ccccc1F ZINC001571235584 953213600 /nfs/dbraw/zinc/21/36/00/953213600.db2.gz JOXRKVONXQBVIJ-UHFFFAOYSA-N -1 3 384.375 0.387 20 0 GCADHM O=C(CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)Nc1ccccc1F ZINC001571235584 953213602 /nfs/dbraw/zinc/21/36/02/953213602.db2.gz JOXRKVONXQBVIJ-UHFFFAOYSA-N -1 3 384.375 0.387 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1NC(=O)Cc1ccon1 ZINC001571235550 953213691 /nfs/dbraw/zinc/21/36/91/953213691.db2.gz IDPJRQLLJYXUET-CYBMUJFWSA-N -1 3 384.400 0.392 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1NC(=O)Cc1ccon1 ZINC001571235550 953213694 /nfs/dbraw/zinc/21/36/94/953213694.db2.gz IDPJRQLLJYXUET-CYBMUJFWSA-N -1 3 384.400 0.392 20 0 GCADHM CCc1oncc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235524 953213865 /nfs/dbraw/zinc/21/38/65/953213865.db2.gz HKHQWACAOJFDEF-SECBINFHSA-N -1 3 384.400 0.636 20 0 GCADHM CCc1oncc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235524 953213867 /nfs/dbraw/zinc/21/38/67/953213867.db2.gz HKHQWACAOJFDEF-SECBINFHSA-N -1 3 384.400 0.636 20 0 GCADHM COc1cc(NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)c(F)cc1-c1nnn[n-]1 ZINC001571235549 953213873 /nfs/dbraw/zinc/21/38/73/953213873.db2.gz ICXHTPKLIWDGII-GMSGAONNSA-N -1 3 384.393 0.712 20 0 GCADHM COc1cc(NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)c(F)cc1-c1nn[n-]n1 ZINC001571235549 953213876 /nfs/dbraw/zinc/21/38/76/953213876.db2.gz ICXHTPKLIWDGII-GMSGAONNSA-N -1 3 384.393 0.712 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1coc(C)n1 ZINC001571235630 953214582 /nfs/dbraw/zinc/21/45/82/953214582.db2.gz LLOSOPIEIPKPOS-TZMCWYRMSA-N -1 3 384.400 0.500 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1coc(C)n1 ZINC001571235630 953214583 /nfs/dbraw/zinc/21/45/83/953214583.db2.gz LLOSOPIEIPKPOS-TZMCWYRMSA-N -1 3 384.400 0.500 20 0 GCADHM CCc1ncoc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235705 953215339 /nfs/dbraw/zinc/21/53/39/953215339.db2.gz ODHUTOAORCOFJU-SECBINFHSA-N -1 3 384.400 0.636 20 0 GCADHM CCc1ncoc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235705 953215341 /nfs/dbraw/zinc/21/53/41/953215341.db2.gz ODHUTOAORCOFJU-SECBINFHSA-N -1 3 384.400 0.636 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(C(=O)Cc2ccon2)CC1 ZINC001571235860 953215809 /nfs/dbraw/zinc/21/58/09/953215809.db2.gz QEKSGVOXIFHZJB-UHFFFAOYSA-N -1 3 384.400 0.489 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(C(=O)Cc2ccon2)CC1 ZINC001571235860 953215811 /nfs/dbraw/zinc/21/58/11/953215811.db2.gz QEKSGVOXIFHZJB-UHFFFAOYSA-N -1 3 384.400 0.489 20 0 GCADHM CCCc1nc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)co1 ZINC001571235913 953216150 /nfs/dbraw/zinc/21/61/50/953216150.db2.gz RFOWVYSXCINMKU-YPMHNXCESA-N -1 3 384.400 0.182 20 0 GCADHM CCCc1nc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)co1 ZINC001571235913 953216153 /nfs/dbraw/zinc/21/61/53/953216153.db2.gz RFOWVYSXCINMKU-YPMHNXCESA-N -1 3 384.400 0.182 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571236170 953216762 /nfs/dbraw/zinc/21/67/62/953216762.db2.gz TUZOAKTZNXBOHQ-MNOVXSKESA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571236170 953216764 /nfs/dbraw/zinc/21/67/64/953216764.db2.gz TUZOAKTZNXBOHQ-MNOVXSKESA-N -1 3 384.400 0.854 20 0 GCADHM CCc1ocnc1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236161 953216936 /nfs/dbraw/zinc/21/69/36/953216936.db2.gz SRDUDNPQMFSRNK-HOMQSWHASA-N -1 3 384.400 0.684 20 0 GCADHM CCc1ocnc1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236161 953216937 /nfs/dbraw/zinc/21/69/37/953216937.db2.gz SRDUDNPQMFSRNK-HOMQSWHASA-N -1 3 384.400 0.684 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)Cc1cnoc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571236150 953216948 /nfs/dbraw/zinc/21/69/48/953216948.db2.gz SILRPGAQUAWLPJ-LBPRGKRZSA-N -1 3 384.400 0.489 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)Cc1cnoc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571236150 953216949 /nfs/dbraw/zinc/21/69/49/953216949.db2.gz SILRPGAQUAWLPJ-LBPRGKRZSA-N -1 3 384.400 0.489 20 0 GCADHM COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571236374 953217215 /nfs/dbraw/zinc/21/72/15/953217215.db2.gz XYWBRVKGCLIIMQ-BNOWGMLFSA-N -1 3 384.396 0.287 20 0 GCADHM COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571236374 953217217 /nfs/dbraw/zinc/21/72/17/953217217.db2.gz XYWBRVKGCLIIMQ-BNOWGMLFSA-N -1 3 384.396 0.287 20 0 GCADHM COc1cc(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)on1 ZINC001571236679 953217948 /nfs/dbraw/zinc/21/79/48/953217948.db2.gz BFGOIYGXZHDYPG-UHFFFAOYSA-N -1 3 384.400 0.905 20 0 GCADHM COc1cc(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)on1 ZINC001571236679 953217951 /nfs/dbraw/zinc/21/79/51/953217951.db2.gz BFGOIYGXZHDYPG-UHFFFAOYSA-N -1 3 384.400 0.905 20 0 GCADHM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)cn1)C2)[C@@H]1COC(=O)N1 ZINC001571236666 953217990 /nfs/dbraw/zinc/21/79/90/953217990.db2.gz AQUUVKNNTXUUGB-ZRUFOSCSSA-N -1 3 384.400 0.209 20 0 GCADHM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)cn1)C2)[C@@H]1COC(=O)N1 ZINC001571236666 953217994 /nfs/dbraw/zinc/21/79/94/953217994.db2.gz AQUUVKNNTXUUGB-ZRUFOSCSSA-N -1 3 384.400 0.209 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)c1ccccn1 ZINC001571236420 953218373 /nfs/dbraw/zinc/21/83/73/953218373.db2.gz ZLEGFVINARNURZ-LBPRGKRZSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC001571236420 953218374 /nfs/dbraw/zinc/21/83/74/953218374.db2.gz ZLEGFVINARNURZ-LBPRGKRZSA-N -1 3 384.375 0.431 20 0 GCADHM Cc1nc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571236709 953218667 /nfs/dbraw/zinc/21/86/67/953218667.db2.gz BUKDCGOCDHYUBE-ZYHUDNBSSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571236709 953218671 /nfs/dbraw/zinc/21/86/71/953218671.db2.gz BUKDCGOCDHYUBE-ZYHUDNBSSA-N -1 3 384.400 0.820 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571236695 953219070 /nfs/dbraw/zinc/21/90/70/953219070.db2.gz BPOFXXSGCSPPEY-LLVKDONJSA-N -1 3 384.400 0.394 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571236695 953219072 /nfs/dbraw/zinc/21/90/72/953219072.db2.gz BPOFXXSGCSPPEY-LLVKDONJSA-N -1 3 384.400 0.394 20 0 GCADHM Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571236729 953219193 /nfs/dbraw/zinc/21/91/93/953219193.db2.gz CIDSGMXKIUVICD-LLVKDONJSA-N -1 3 384.400 0.312 20 0 GCADHM Cc1cc(CC(=O)N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571236729 953219194 /nfs/dbraw/zinc/21/91/94/953219194.db2.gz CIDSGMXKIUVICD-LLVKDONJSA-N -1 3 384.400 0.312 20 0 GCADHM COc1nc(C(=O)N(C)[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)co1 ZINC001571237302 953220898 /nfs/dbraw/zinc/22/08/98/953220898.db2.gz GXDHGXJONITDOA-NSHDSACASA-N -1 3 384.400 0.918 20 0 GCADHM COc1nc(C(=O)N(C)[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)co1 ZINC001571237302 953220904 /nfs/dbraw/zinc/22/09/04/953220904.db2.gz GXDHGXJONITDOA-NSHDSACASA-N -1 3 384.400 0.918 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CCCN(c3nc(C)ccc3-c3nnn[n-]3)C2)on1 ZINC001571237671 953222158 /nfs/dbraw/zinc/22/21/58/953222158.db2.gz LDKKTJNCBJTTEP-LLVKDONJSA-N -1 3 384.400 0.966 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CCCN(c3nc(C)ccc3-c3nn[n-]n3)C2)on1 ZINC001571237671 953222160 /nfs/dbraw/zinc/22/21/60/953222160.db2.gz LDKKTJNCBJTTEP-LLVKDONJSA-N -1 3 384.400 0.966 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571237688 953223474 /nfs/dbraw/zinc/22/34/74/953223474.db2.gz LTRXUEQKHFVOLG-GHMZBOCLSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571237688 953223476 /nfs/dbraw/zinc/22/34/76/953223476.db2.gz LTRXUEQKHFVOLG-GHMZBOCLSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1ocnc1C(=O)N1CCO[C@@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571237979 953223646 /nfs/dbraw/zinc/22/36/46/953223646.db2.gz PRMQXCBAWPMYCW-GXFFZTMASA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ocnc1C(=O)N1CCO[C@@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571237979 953223649 /nfs/dbraw/zinc/22/36/49/953223649.db2.gz PRMQXCBAWPMYCW-GXFFZTMASA-N -1 3 384.400 0.900 20 0 GCADHM Cc1conc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001571237970 953223822 /nfs/dbraw/zinc/22/38/22/953223822.db2.gz PICRHCLBQWJEST-JQWIXIFHSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1conc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001571237970 953223824 /nfs/dbraw/zinc/22/38/24/953223824.db2.gz PICRHCLBQWJEST-JQWIXIFHSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(CCC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571237930 953223982 /nfs/dbraw/zinc/22/39/82/953223982.db2.gz OIVORWRUGLPXSD-CYBMUJFWSA-N -1 3 384.400 0.455 20 0 GCADHM Cc1cc(CCC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571237930 953223984 /nfs/dbraw/zinc/22/39/84/953223984.db2.gz OIVORWRUGLPXSD-CYBMUJFWSA-N -1 3 384.400 0.455 20 0 GCADHM Cc1conc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571238015 953224440 /nfs/dbraw/zinc/22/44/40/953224440.db2.gz RDNGWRXFFQLCOX-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1conc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571238015 953224443 /nfs/dbraw/zinc/22/44/43/953224443.db2.gz RDNGWRXFFQLCOX-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001571238100 953225443 /nfs/dbraw/zinc/22/54/43/953225443.db2.gz UDQFTAAMDZNHDD-KLPPZKSPSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001571238100 953225447 /nfs/dbraw/zinc/22/54/47/953225447.db2.gz UDQFTAAMDZNHDD-KLPPZKSPSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@]2(CO)CCCN(C(=O)c3ccon3)C2)n1 ZINC001571238129 953225535 /nfs/dbraw/zinc/22/55/35/953225535.db2.gz VAIMEWNZOQNABR-QGZVFWFLSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@]2(CO)CCCN(C(=O)c3ccon3)C2)n1 ZINC001571238129 953225538 /nfs/dbraw/zinc/22/55/38/953225538.db2.gz VAIMEWNZOQNABR-QGZVFWFLSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1ncoc1C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238285 953226954 /nfs/dbraw/zinc/22/69/54/953226954.db2.gz YONVLBMDAANUEK-MNOVXSKESA-N -1 3 384.400 0.820 20 0 GCADHM Cc1ncoc1C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238285 953226956 /nfs/dbraw/zinc/22/69/56/953226956.db2.gz YONVLBMDAANUEK-MNOVXSKESA-N -1 3 384.400 0.820 20 0 GCADHM Cc1conc1C(=O)NC[C@@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571238278 953227421 /nfs/dbraw/zinc/22/74/21/953227421.db2.gz YKIMFFVEYGHVFO-PWSUYJOCSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1conc1C(=O)NC[C@@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571238278 953227426 /nfs/dbraw/zinc/22/74/26/953227426.db2.gz YKIMFFVEYGHVFO-PWSUYJOCSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1ncoc1C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238239 953227549 /nfs/dbraw/zinc/22/75/49/953227549.db2.gz XVEDZLOCXGWKGO-LBPRGKRZSA-N -1 3 384.400 0.916 20 0 GCADHM Cc1ncoc1C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238239 953227553 /nfs/dbraw/zinc/22/75/53/953227553.db2.gz XVEDZLOCXGWKGO-LBPRGKRZSA-N -1 3 384.400 0.916 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238616 953230737 /nfs/dbraw/zinc/23/07/37/953230737.db2.gz IMOOINZSRPKKDY-LLVKDONJSA-N -1 3 384.404 0.046 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001571239543 953240068 /nfs/dbraw/zinc/24/00/68/953240068.db2.gz LVZIYQQZAXGHOP-LLVKDONJSA-N -1 3 384.419 0.843 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001571239543 953240070 /nfs/dbraw/zinc/24/00/70/953240070.db2.gz LVZIYQQZAXGHOP-LLVKDONJSA-N -1 3 384.419 0.843 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001571239544 953240750 /nfs/dbraw/zinc/24/07/50/953240750.db2.gz LVZIYQQZAXGHOP-NSHDSACASA-N -1 3 384.419 0.843 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001571239544 953240752 /nfs/dbraw/zinc/24/07/52/953240752.db2.gz LVZIYQQZAXGHOP-NSHDSACASA-N -1 3 384.419 0.843 20 0 GCADHM Cn1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C(C)(C)C2)[nH]c1=O ZINC001571239775 953242672 /nfs/dbraw/zinc/24/26/72/953242672.db2.gz XQDJJJPNEILHJD-NSHDSACASA-N -1 3 384.404 0.059 20 0 GCADHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2csc(=O)[nH]2)ccc1-c1nn[n-]n1 ZINC001571241542 953247323 /nfs/dbraw/zinc/24/73/23/953247323.db2.gz CNVKBTLJRMBJLY-IWIIMEHWSA-N -1 3 384.425 0.597 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001571241685 953249167 /nfs/dbraw/zinc/24/91/67/953249167.db2.gz IGMTUBNCSKXQLK-ZUZCIYMTSA-N -1 3 384.444 0.307 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001571241685 953249170 /nfs/dbraw/zinc/24/91/70/953249170.db2.gz IGMTUBNCSKXQLK-ZUZCIYMTSA-N -1 3 384.444 0.307 20 0 GCADHM O=C(c1cscn1)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571241802 953249737 /nfs/dbraw/zinc/24/97/37/953249737.db2.gz MAPXVNAYJDPAMH-TVQRCGJNSA-N -1 3 384.425 0.638 20 0 GCADHM O=C(c1cscn1)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571241802 953249742 /nfs/dbraw/zinc/24/97/42/953249742.db2.gz MAPXVNAYJDPAMH-TVQRCGJNSA-N -1 3 384.425 0.638 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC2(C1)C[C@H](NC(=O)C1CC1)CO2 ZINC001571241776 953249845 /nfs/dbraw/zinc/24/98/45/953249845.db2.gz LEKAGWRQQVIPFG-HNNXBMFYSA-N -1 3 384.440 0.745 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1)[C@]12C[C@H]1COC2 ZINC001571241879 953250421 /nfs/dbraw/zinc/25/04/21/953250421.db2.gz OHXSRQPNAXRVJI-BXWFABGCSA-N -1 3 384.440 0.220 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)[C@]12C[C@H]1COC2 ZINC001571241879 953250424 /nfs/dbraw/zinc/25/04/24/953250424.db2.gz OHXSRQPNAXRVJI-BXWFABGCSA-N -1 3 384.440 0.220 20 0 GCADHM Cn1cc(CC(=O)N[C@H]2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)cn1 ZINC001571241877 953250440 /nfs/dbraw/zinc/25/04/40/953250440.db2.gz OGHQTDWZFHTZLN-AWEZNQCLSA-N -1 3 384.419 0.673 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571241934 953251460 /nfs/dbraw/zinc/25/14/60/953251460.db2.gz QDOUWPWDBULUCL-AIANPOQGSA-N -1 3 384.440 0.458 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242039 953252229 /nfs/dbraw/zinc/25/22/29/953252229.db2.gz TZUVFQNRHHTDLH-YPMHNXCESA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242039 953252232 /nfs/dbraw/zinc/25/22/32/953252232.db2.gz TZUVFQNRHHTDLH-YPMHNXCESA-N -1 3 384.444 0.389 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)c1 ZINC001571242012 953252574 /nfs/dbraw/zinc/25/25/74/953252574.db2.gz STMFXKRXBBJYSH-OAHLLOKOSA-N -1 3 384.419 0.901 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571242091 953252979 /nfs/dbraw/zinc/25/29/79/953252979.db2.gz AZELGHWKJBIIOC-ZIAGYGMSSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571242091 953252981 /nfs/dbraw/zinc/25/29/81/953252981.db2.gz AZELGHWKJBIIOC-ZIAGYGMSSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242166 953253807 /nfs/dbraw/zinc/25/38/07/953253807.db2.gz BZSBENJVFQWYGS-KSSFIOAISA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242166 953253810 /nfs/dbraw/zinc/25/38/10/953253810.db2.gz BZSBENJVFQWYGS-KSSFIOAISA-N -1 3 384.444 0.533 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571242143 953253919 /nfs/dbraw/zinc/25/39/19/953253919.db2.gz BVDGQPQBZVJYME-STQMWFEESA-N -1 3 384.444 0.025 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571242143 953253923 /nfs/dbraw/zinc/25/39/23/953253923.db2.gz BVDGQPQBZVJYME-STQMWFEESA-N -1 3 384.444 0.025 20 0 GCADHM C[C@@]1(NC(=O)[C@@H]2CCNC(=O)CC2)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242153 953254015 /nfs/dbraw/zinc/25/40/15/953254015.db2.gz BZOAUJFOXRRSLK-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(NC(=O)[C@@H]2CCNC(=O)CC2)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242153 953254018 /nfs/dbraw/zinc/25/40/18/953254018.db2.gz BZOAUJFOXRRSLK-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM CN1C[C@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC001571242374 953255619 /nfs/dbraw/zinc/25/56/19/953255619.db2.gz DUDLNHLJFDVLDI-OCCSQVGLSA-N -1 3 384.444 0.533 20 0 GCADHM CN1C[C@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC001571242374 953255620 /nfs/dbraw/zinc/25/56/20/953255620.db2.gz DUDLNHLJFDVLDI-OCCSQVGLSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCN1CCCC1=O ZINC001571242440 953256560 /nfs/dbraw/zinc/25/65/60/953256560.db2.gz GFFWXUMOIPAOBE-TZMCWYRMSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCN1CCCC1=O ZINC001571242440 953256563 /nfs/dbraw/zinc/25/65/63/953256563.db2.gz GFFWXUMOIPAOBE-TZMCWYRMSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCN1CCCC1=O ZINC001571242437 953256589 /nfs/dbraw/zinc/25/65/89/953256589.db2.gz GFFWXUMOIPAOBE-GXTWGEPZSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCN1CCCC1=O ZINC001571242437 953256592 /nfs/dbraw/zinc/25/65/92/953256592.db2.gz GFFWXUMOIPAOBE-GXTWGEPZSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571242525 953256756 /nfs/dbraw/zinc/25/67/56/953256756.db2.gz IGEJHECGJMDXOI-CQSZACIVSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571242525 953256761 /nfs/dbraw/zinc/25/67/61/953256761.db2.gz IGEJHECGJMDXOI-CQSZACIVSA-N -1 3 384.444 0.676 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001571242855 953260115 /nfs/dbraw/zinc/26/01/15/953260115.db2.gz PNGVKUSZICKMKT-MJBXVCDLSA-N -1 3 384.444 0.200 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001571242855 953260119 /nfs/dbraw/zinc/26/01/19/953260119.db2.gz PNGVKUSZICKMKT-MJBXVCDLSA-N -1 3 384.444 0.200 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001571242928 953260783 /nfs/dbraw/zinc/26/07/83/953260783.db2.gz REWKAOJHXBYICI-SGTLLEGYSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001571242928 953260790 /nfs/dbraw/zinc/26/07/90/953260790.db2.gz REWKAOJHXBYICI-SGTLLEGYSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001571242894 953261194 /nfs/dbraw/zinc/26/11/94/953261194.db2.gz QMXZMTXKNKHONR-BVRBVLIYSA-N -1 3 384.444 0.119 20 0 GCADHM C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001571242894 953261198 /nfs/dbraw/zinc/26/11/98/953261198.db2.gz QMXZMTXKNKHONR-BVRBVLIYSA-N -1 3 384.444 0.119 20 0 GCADHM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242997 953262032 /nfs/dbraw/zinc/26/20/32/953262032.db2.gz SRPZTBQYKPLYKZ-UJLSLHKQSA-N -1 3 384.444 0.565 20 0 GCADHM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242997 953262035 /nfs/dbraw/zinc/26/20/35/953262035.db2.gz SRPZTBQYKPLYKZ-UJLSLHKQSA-N -1 3 384.444 0.565 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001571243021 953262434 /nfs/dbraw/zinc/26/24/34/953262434.db2.gz UDOVIKIRMBSCHG-BXUZGUMPSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001571243021 953262437 /nfs/dbraw/zinc/26/24/37/953262437.db2.gz UDOVIKIRMBSCHG-BXUZGUMPSA-N -1 3 384.444 0.579 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571243061 953262552 /nfs/dbraw/zinc/26/25/52/953262552.db2.gz UZPDTXJCWYUKJO-HZSPNIEDSA-N -1 3 384.444 0.214 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571243061 953262556 /nfs/dbraw/zinc/26/25/56/953262556.db2.gz UZPDTXJCWYUKJO-HZSPNIEDSA-N -1 3 384.444 0.214 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571244943 953268137 /nfs/dbraw/zinc/26/81/37/953268137.db2.gz AOWAEIYUEBSSSZ-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571244943 953268140 /nfs/dbraw/zinc/26/81/40/953268140.db2.gz AOWAEIYUEBSSSZ-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM Cn1cnnc1CN1CCCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571244940 953268311 /nfs/dbraw/zinc/26/83/11/953268311.db2.gz AOUDAIQHQDFYEU-CYBMUJFWSA-N -1 3 384.448 0.498 20 0 GCADHM Cn1cnnc1CN1CCCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571244940 953268313 /nfs/dbraw/zinc/26/83/13/953268313.db2.gz AOUDAIQHQDFYEU-CYBMUJFWSA-N -1 3 384.448 0.498 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H](N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571244991 953269132 /nfs/dbraw/zinc/26/91/32/953269132.db2.gz BWTPWKQGELBIIS-CQSZACIVSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H](N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571244991 953269134 /nfs/dbraw/zinc/26/91/34/953269134.db2.gz BWTPWKQGELBIIS-CQSZACIVSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@H](c1nncn1C)N(C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571245700 953275959 /nfs/dbraw/zinc/27/59/59/953275959.db2.gz LALKQIOTNSPBFM-LLVKDONJSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571245701 953276405 /nfs/dbraw/zinc/27/64/05/953276405.db2.gz LALKQIOTNSPBFM-NSHDSACASA-N -1 3 384.448 0.621 20 0 GCADHM Cn1ncc(CN2CCCCC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571245790 953277157 /nfs/dbraw/zinc/27/71/57/953277157.db2.gz MTOMSECZLILOGT-CQSZACIVSA-N -1 3 384.448 0.498 20 0 GCADHM Cn1ncc(CN2CCCCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571245790 953277161 /nfs/dbraw/zinc/27/71/61/953277161.db2.gz MTOMSECZLILOGT-CQSZACIVSA-N -1 3 384.448 0.498 20 0 GCADHM CC(C)n1ncnc1CN[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571245925 953278421 /nfs/dbraw/zinc/27/84/21/953278421.db2.gz OWBNFZFOXGVXMH-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571245925 953278424 /nfs/dbraw/zinc/27/84/24/953278424.db2.gz OWBNFZFOXGVXMH-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)n1 ZINC001571248583 953295410 /nfs/dbraw/zinc/29/54/10/953295410.db2.gz HBGFRUCYUPEVQR-CHWSQXEVSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)n1 ZINC001571248583 953295413 /nfs/dbraw/zinc/29/54/13/953295413.db2.gz HBGFRUCYUPEVQR-CHWSQXEVSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC2CC(NC(=O)CN3CCCC3=O)C2)n1 ZINC001571248643 953296452 /nfs/dbraw/zinc/29/64/52/953296452.db2.gz HVCBPNORSQWJJF-UHFFFAOYSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC2CC(NC(=O)CN3CCCC3=O)C2)n1 ZINC001571248643 953296455 /nfs/dbraw/zinc/29/64/55/953296455.db2.gz HVCBPNORSQWJJF-UHFFFAOYSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3C)C2)ccc1-c1nnn[n-]1 ZINC001571248867 953297887 /nfs/dbraw/zinc/29/78/87/953297887.db2.gz KRLFAVPDYYERQM-TZMCWYRMSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)[C@H]3CCC(=O)N3C)C2)ccc1-c1nn[n-]n1 ZINC001571248867 953297889 /nfs/dbraw/zinc/29/78/89/953297889.db2.gz KRLFAVPDYYERQM-TZMCWYRMSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2C[C@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)n1 ZINC001571248849 953298222 /nfs/dbraw/zinc/29/82/22/953298222.db2.gz KFVKLXHXUPHHDG-LPWJVIDDSA-N -1 3 384.444 0.388 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2C[C@H](NC(=O)[C@H]3CC[C@H]3C(N)=O)C2)n1 ZINC001571248849 953298226 /nfs/dbraw/zinc/29/82/26/953298226.db2.gz KFVKLXHXUPHHDG-LPWJVIDDSA-N -1 3 384.444 0.388 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001571249305 953303261 /nfs/dbraw/zinc/30/32/61/953303261.db2.gz OASFJICIRVJVML-NSHDSACASA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001571249305 953303267 /nfs/dbraw/zinc/30/32/67/953303267.db2.gz OASFJICIRVJVML-NSHDSACASA-N -1 3 384.448 0.546 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571249330 953303700 /nfs/dbraw/zinc/30/37/00/953303700.db2.gz OLARMCJWJNEMPI-CQSZACIVSA-N -1 3 384.444 0.406 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571249330 953303704 /nfs/dbraw/zinc/30/37/04/953303704.db2.gz OLARMCJWJNEMPI-CQSZACIVSA-N -1 3 384.444 0.406 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571249450 953305999 /nfs/dbraw/zinc/30/59/99/953305999.db2.gz PYASQSGWZVNPTI-GXTWGEPZSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571249450 953306005 /nfs/dbraw/zinc/30/60/05/953306005.db2.gz PYASQSGWZVNPTI-GXTWGEPZSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(CN1CCCCCC1=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571250297 953310266 /nfs/dbraw/zinc/31/02/66/953310266.db2.gz QIAIYBYUUTZZST-ZDUSSCGKSA-N -1 3 384.444 0.359 20 0 GCADHM O=C(CN1CCCCCC1=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571250297 953310270 /nfs/dbraw/zinc/31/02/70/953310270.db2.gz QIAIYBYUUTZZST-ZDUSSCGKSA-N -1 3 384.444 0.359 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571251713 953319132 /nfs/dbraw/zinc/31/91/32/953319132.db2.gz UVHAVALTVNAHBF-MRVWCRGKSA-N -1 3 384.444 0.770 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571251713 953319134 /nfs/dbraw/zinc/31/91/34/953319134.db2.gz UVHAVALTVNAHBF-MRVWCRGKSA-N -1 3 384.444 0.770 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CC(=O)N(C)C3)C2)ccc1-c1nnn[n-]1 ZINC001571251748 953320022 /nfs/dbraw/zinc/32/00/22/953320022.db2.gz VWCBPETUMDJEHF-RWMBFGLXSA-N -1 3 384.444 0.355 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CC(=O)N(C)C3)C2)ccc1-c1nn[n-]n1 ZINC001571251748 953320026 /nfs/dbraw/zinc/32/00/26/953320026.db2.gz VWCBPETUMDJEHF-RWMBFGLXSA-N -1 3 384.444 0.355 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571252144 953323651 /nfs/dbraw/zinc/32/36/51/953323651.db2.gz XHEHJGZRDAIPFR-KPZWWZAWSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571252144 953323655 /nfs/dbraw/zinc/32/36/55/953323655.db2.gz XHEHJGZRDAIPFR-KPZWWZAWSA-N -1 3 384.444 0.499 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001571254280 953337299 /nfs/dbraw/zinc/33/72/99/953337299.db2.gz FHOGRGQSFYACDD-ZYHUDNBSSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001571254280 953337303 /nfs/dbraw/zinc/33/73/03/953337303.db2.gz FHOGRGQSFYACDD-ZYHUDNBSSA-N -1 3 385.407 0.922 20 0 GCADHM COc1cnc(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)nc1 ZINC001571254301 953338433 /nfs/dbraw/zinc/33/84/33/953338433.db2.gz BJMGXZXAWMDLQS-SNVBAGLBSA-N -1 3 385.363 0.526 20 0 GCADHM COc1cnc(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)nc1 ZINC001571254301 953338437 /nfs/dbraw/zinc/33/84/37/953338437.db2.gz BJMGXZXAWMDLQS-SNVBAGLBSA-N -1 3 385.363 0.526 20 0 GCADHM C[C@H](NC(=O)c1ccco1)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001571254485 953338807 /nfs/dbraw/zinc/33/88/07/953338807.db2.gz ACDOWCBUZQUCRW-HZMBPMFUSA-N -1 3 385.384 0.447 20 0 GCADHM C[C@H](NC(=O)c1ccco1)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001571254485 953338809 /nfs/dbraw/zinc/33/88/09/953338809.db2.gz ACDOWCBUZQUCRW-HZMBPMFUSA-N -1 3 385.384 0.447 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571254433 953339303 /nfs/dbraw/zinc/33/93/03/953339303.db2.gz DBOZOAFRHRVNMB-SNVBAGLBSA-N -1 3 385.363 0.201 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571254433 953339305 /nfs/dbraw/zinc/33/93/05/953339305.db2.gz DBOZOAFRHRVNMB-SNVBAGLBSA-N -1 3 385.363 0.201 20 0 GCADHM C[C@@H](c1ccccc1F)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001571254617 953339757 /nfs/dbraw/zinc/33/97/57/953339757.db2.gz HHXFDQLWVJALJW-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](c1ccccc1F)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001571254617 953339759 /nfs/dbraw/zinc/33/97/59/953339759.db2.gz HHXFDQLWVJALJW-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1C[C@H](O)[C@H](CO)C1 ZINC001571255332 953347765 /nfs/dbraw/zinc/34/77/65/953347765.db2.gz IBRZHVCVNSPOSP-ZFWWWQNUSA-N -1 3 385.380 0.464 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1C[C@H](O)[C@H](CO)C1 ZINC001571255332 953347768 /nfs/dbraw/zinc/34/77/68/953347768.db2.gz IBRZHVCVNSPOSP-ZFWWWQNUSA-N -1 3 385.380 0.464 20 0 GCADHM COc1ccc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001571255282 953347825 /nfs/dbraw/zinc/34/78/25/953347825.db2.gz HHBVQALZCOGYOJ-UHFFFAOYSA-N -1 3 385.384 0.735 20 0 GCADHM COc1ccc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001571255282 953347827 /nfs/dbraw/zinc/34/78/27/953347827.db2.gz HHBVQALZCOGYOJ-UHFFFAOYSA-N -1 3 385.384 0.735 20 0 GCADHM O=C(Cc1ccc[nH]1)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001571255444 953349484 /nfs/dbraw/zinc/34/94/84/953349484.db2.gz PYEDBRXTGDSDOK-CVEARBPZSA-N -1 3 385.403 0.238 20 0 GCADHM O=C(Cc1ccc[nH]1)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001571255444 953349489 /nfs/dbraw/zinc/34/94/89/953349489.db2.gz PYEDBRXTGDSDOK-CVEARBPZSA-N -1 3 385.403 0.238 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571255476 953349536 /nfs/dbraw/zinc/34/95/36/953349536.db2.gz LGXZJAFWSIRIKQ-LLVKDONJSA-N -1 3 385.363 0.247 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571255476 953349541 /nfs/dbraw/zinc/34/95/41/953349541.db2.gz LGXZJAFWSIRIKQ-LLVKDONJSA-N -1 3 385.363 0.247 20 0 GCADHM O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)c1ccc(-c2nnn[n-]2)cc1F ZINC001571255495 953349807 /nfs/dbraw/zinc/34/98/07/953349807.db2.gz LYJZJACBZBJXKN-UHFFFAOYSA-N -1 3 385.363 0.480 20 0 GCADHM O=C(Nc1ccn(CCN2CC[NH+]=C2[O-])n1)c1ccc(-c2nn[n-]n2)cc1F ZINC001571255495 953349811 /nfs/dbraw/zinc/34/98/11/953349811.db2.gz LYJZJACBZBJXKN-UHFFFAOYSA-N -1 3 385.363 0.480 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cc(CO)ccc2F)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571255719 953353273 /nfs/dbraw/zinc/35/32/73/953353273.db2.gz SRMZTHNYGXCQOT-CQSZACIVSA-N -1 3 385.403 0.831 20 0 GCADHM Cc1coc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)c1 ZINC001571256015 953361827 /nfs/dbraw/zinc/36/18/27/953361827.db2.gz OFZQLXXAVGTUCJ-MFKMUULPSA-N -1 3 385.384 0.102 20 0 GCADHM Cc1coc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)c1 ZINC001571256015 953361836 /nfs/dbraw/zinc/36/18/36/953361836.db2.gz OFZQLXXAVGTUCJ-MFKMUULPSA-N -1 3 385.384 0.102 20 0 GCADHM Cc1cc(NC(=O)NCc2cn(C(C)C)c(=O)[nH]c2=O)ncc1-c1nnn[n-]1 ZINC001571256038 953362255 /nfs/dbraw/zinc/36/22/55/953362255.db2.gz OSSNESFOMCQQNQ-UHFFFAOYSA-N -1 3 385.388 0.735 20 0 GCADHM Cc1cc(NC(=O)NCc2cn(C(C)C)c(=O)[nH]c2=O)ncc1-c1nn[n-]n1 ZINC001571256038 953362264 /nfs/dbraw/zinc/36/22/64/953362264.db2.gz OSSNESFOMCQQNQ-UHFFFAOYSA-N -1 3 385.388 0.735 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001571256118 953363672 /nfs/dbraw/zinc/36/36/72/953363672.db2.gz YMQGQDSBGHQRMX-CVEARBPZSA-N -1 3 385.403 0.617 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001571256118 953363680 /nfs/dbraw/zinc/36/36/80/953363680.db2.gz YMQGQDSBGHQRMX-CVEARBPZSA-N -1 3 385.403 0.617 20 0 GCADHM COC(=O)C1=NO[C@@]2(CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571256303 953368489 /nfs/dbraw/zinc/36/84/89/953368489.db2.gz SNNFWJLENNTTKW-KRWDZBQOSA-N -1 3 385.384 0.470 20 0 GCADHM COC(=O)C1=NO[C@@]2(CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571256303 953368494 /nfs/dbraw/zinc/36/84/94/953368494.db2.gz SNNFWJLENNTTKW-KRWDZBQOSA-N -1 3 385.384 0.470 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CN1C1CC1 ZINC001589291957 953611639 /nfs/dbraw/zinc/61/16/39/953611639.db2.gz ATJLGFIIONSLLO-NQCMUKECSA-N -1 3 397.472 0.819 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001593697022 954079099 /nfs/dbraw/zinc/07/90/99/954079099.db2.gz DUHSIZWOJZXFKR-UKRRQHHQSA-N -1 3 378.347 0.272 20 0 GCADHM CN(C)CCN(Cc1cccc(O)c1)C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001593700437 954109413 /nfs/dbraw/zinc/10/94/13/954109413.db2.gz SSWUNDTXXVIFQI-INIZCTEOSA-N -1 3 377.441 0.606 20 0 GCADHM C[C@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1C(=O)[O-] ZINC001589396412 954380789 /nfs/dbraw/zinc/38/07/89/954380789.db2.gz YETLYRPPAXCCKD-WFASDCNBSA-N -1 3 383.470 0.035 20 0 GCADHM CN1CCN(C(=O)CCNCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CC1 ZINC001593780942 954660920 /nfs/dbraw/zinc/66/09/20/954660920.db2.gz DMALOPPJONYPIT-OAHLLOKOSA-N -1 3 378.473 0.834 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC001593781147 954663941 /nfs/dbraw/zinc/66/39/41/954663941.db2.gz ODAUHPMXBVQRCB-ZDUSSCGKSA-N -1 3 392.460 0.473 20 0 GCADHM CC(C)[C@H]1CN(C(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CCN1 ZINC001603000834 972041894 /nfs/dbraw/zinc/04/18/94/972041894.db2.gz ZCSMVNBAVDSZPP-ACJLOTCBSA-N -1 3 385.461 0.534 20 0 GCADHM COC[C@@]1(C(=O)[O-])CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000711534998 955045527 /nfs/dbraw/zinc/04/55/27/955045527.db2.gz PGHMOXHHICSKKB-QFBILLFUSA-N -1 3 377.441 0.773 20 0 GCADHM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000711534996 955045981 /nfs/dbraw/zinc/04/59/81/955045981.db2.gz PGHMOXHHICSKKB-APWZRJJASA-N -1 3 377.441 0.773 20 0 GCADHM O=C([O-])C(=O)N1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000738517284 955246122 /nfs/dbraw/zinc/24/61/22/955246122.db2.gz LWSRFBIJCPKPEA-UHFFFAOYSA-N -1 3 388.468 0.344 20 0 GCADHM CCOc1ccc(N2C[C@@H](C(=O)N(CCN(C)C)CC(=O)[O-])CC2=O)cc1 ZINC000769450256 955318627 /nfs/dbraw/zinc/31/86/27/955318627.db2.gz QOEZSCJEXPKTKB-AWEZNQCLSA-N -1 3 377.441 0.913 20 0 GCADHM C[C@H](NC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1)C1=CCN(C)CC1 ZINC001589091094 955938953 /nfs/dbraw/zinc/93/89/53/955938953.db2.gz NKIWKMCSLXZKRN-ORAYPTAESA-N -1 3 397.472 0.844 20 0 GCADHM Cn1nccc1[C@@H](NCCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C(=O)[O-] ZINC001594595744 956086085 /nfs/dbraw/zinc/08/60/85/956086085.db2.gz SFPSKDJRNXENJF-CQSZACIVSA-N -1 3 379.804 0.917 20 0 GCADHM O=C([O-])Cn1cc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cn1 ZINC000388520023 972174473 /nfs/dbraw/zinc/17/44/73/972174473.db2.gz 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/nfs/dbraw/zinc/19/66/91/531196691.db2.gz KZLOVZPOUREPJX-UHFFFAOYSA-N -1 3 391.452 0.056 20 0 GCADHM Nc1ccc(S(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000443092443 531196738 /nfs/dbraw/zinc/19/67/38/531196738.db2.gz ZVULRAQYYJLFLD-UHFFFAOYSA-N -1 3 391.421 0.804 20 0 GCADHM COCCN(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000566310989 531196863 /nfs/dbraw/zinc/19/68/63/531196863.db2.gz YZGWNPMPHDQJTF-UHFFFAOYSA-N -1 3 381.476 0.180 20 0 GCADHM COCCCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000443080098 531196927 /nfs/dbraw/zinc/19/69/27/531196927.db2.gz SHGMLZZHYKBHML-UHFFFAOYSA-N -1 3 388.870 0.713 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1cccc(-n2cncn2)c1 ZINC000443118120 531197358 /nfs/dbraw/zinc/19/73/58/531197358.db2.gz MOXQGIGVUXGLLH-UHFFFAOYSA-N -1 3 379.423 0.989 20 0 GCADHM COc1cc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)c(OC)cc1Br ZINC000443106766 531197375 /nfs/dbraw/zinc/19/73/75/531197375.db2.gz XNOZGQXZKKFGSV-ZDUSSCGKSA-N -1 3 396.259 0.896 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)c2nncn2C)c(C(=O)OC)s1 ZINC000443104160 531197405 /nfs/dbraw/zinc/19/74/05/531197405.db2.gz DIDYBCKIRATHPB-ZETCQYMHSA-N -1 3 388.427 0.489 20 0 GCADHM CCC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000566486024 531198556 /nfs/dbraw/zinc/19/85/56/531198556.db2.gz ADMCKORFRXJJEL-JTQLQIEISA-N -1 3 386.442 0.669 20 0 GCADHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(C(N)=O)c1)c1ncn(C)n1 ZINC000443193470 531198404 /nfs/dbraw/zinc/19/84/04/531198404.db2.gz VKVHJYGFGPUXON-SSDOTTSWSA-N -1 3 388.247 0.716 20 0 GCADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](O)COCC2CC2)s1 ZINC000443207243 531198412 /nfs/dbraw/zinc/19/84/12/531198412.db2.gz YSWDYLPILVTJDU-ZDUSSCGKSA-N -1 3 376.500 0.493 20 0 GCADHM CCCN([C@@H](C)C(=O)OCC)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000443198017 531198496 /nfs/dbraw/zinc/19/84/96/531198496.db2.gz BKZBCIFTYBHOID-LBPRGKRZSA-N -1 3 392.499 0.947 20 0 GCADHM COC1CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)C1 ZINC000566476169 531198490 /nfs/dbraw/zinc/19/84/90/531198490.db2.gz UDMZBBGFTQPZMI-UHFFFAOYSA-N -1 3 383.451 0.324 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000736037443 598823949 /nfs/dbraw/zinc/82/39/49/598823949.db2.gz GXSJBZFPNCGRQW-RISCZKNCSA-N -1 3 381.458 0.819 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000736037443 598823951 /nfs/dbraw/zinc/82/39/51/598823951.db2.gz GXSJBZFPNCGRQW-RISCZKNCSA-N -1 3 381.458 0.819 20 0 GCADHM CO[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(F)(F)F ZINC000736961204 598827630 /nfs/dbraw/zinc/82/76/30/598827630.db2.gz JYZCLTKNKSITRN-NSHDSACASA-N -1 3 396.333 0.942 20 0 GCADHM CO[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(F)(F)F ZINC000736961204 598827631 /nfs/dbraw/zinc/82/76/31/598827631.db2.gz JYZCLTKNKSITRN-NSHDSACASA-N -1 3 396.333 0.942 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000737523858 598825245 /nfs/dbraw/zinc/82/52/45/598825245.db2.gz UOLNUCPVJDDLIS-JTQLQIEISA-N -1 3 383.416 0.027 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000737523858 598825246 /nfs/dbraw/zinc/82/52/46/598825246.db2.gz UOLNUCPVJDDLIS-JTQLQIEISA-N -1 3 383.416 0.027 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736881191 598827636 /nfs/dbraw/zinc/82/76/36/598827636.db2.gz AOMULCFEFXKPLO-ZDUSSCGKSA-N -1 3 396.498 0.499 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736881191 598827637 /nfs/dbraw/zinc/82/76/37/598827637.db2.gz AOMULCFEFXKPLO-ZDUSSCGKSA-N -1 3 396.498 0.499 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736881654 598827290 /nfs/dbraw/zinc/82/72/90/598827290.db2.gz GIVKOZYZFBHYLZ-AWEZNQCLSA-N -1 3 378.458 0.340 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736881654 598827291 /nfs/dbraw/zinc/82/72/91/598827291.db2.gz GIVKOZYZFBHYLZ-AWEZNQCLSA-N -1 3 378.458 0.340 20 0 GCADHM COC[C@@]1(C)NC(=O)N(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)C1=O ZINC000736976605 598829362 /nfs/dbraw/zinc/82/93/62/598829362.db2.gz GGUVNSLQSSPNJJ-GOSISDBHSA-N -1 3 387.444 0.992 20 0 GCADHM COC[C@@]1(C)NC(=O)N(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)C1=O ZINC000736976605 598829364 /nfs/dbraw/zinc/82/93/64/598829364.db2.gz GGUVNSLQSSPNJJ-GOSISDBHSA-N -1 3 387.444 0.992 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736882125 598832986 /nfs/dbraw/zinc/83/29/86/598832986.db2.gz JIOTYGFQTAPVJC-FZMZJTMJSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736882125 598832988 /nfs/dbraw/zinc/83/29/88/598832988.db2.gz JIOTYGFQTAPVJC-FZMZJTMJSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736882126 598833010 /nfs/dbraw/zinc/83/30/10/598833010.db2.gz JIOTYGFQTAPVJC-RISCZKNCSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736882126 598833011 /nfs/dbraw/zinc/83/30/11/598833011.db2.gz JIOTYGFQTAPVJC-RISCZKNCSA-N -1 3 393.473 0.207 20 0 GCADHM CCOC(=O)CCCOC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736591724 598841182 /nfs/dbraw/zinc/84/11/82/598841182.db2.gz JHDHYPYKYPDSJE-UHFFFAOYSA-N -1 3 397.413 0.032 20 0 GCADHM CCOC(=O)CCCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736591724 598841183 /nfs/dbraw/zinc/84/11/83/598841183.db2.gz JHDHYPYKYPDSJE-UHFFFAOYSA-N -1 3 397.413 0.032 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737770339 598841640 /nfs/dbraw/zinc/84/16/40/598841640.db2.gz SYWYSIRQEPSWFZ-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737770339 598841642 /nfs/dbraw/zinc/84/16/42/598841642.db2.gz SYWYSIRQEPSWFZ-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OCCc1cccs1 ZINC000737896093 598841944 /nfs/dbraw/zinc/84/19/44/598841944.db2.gz TUCBHJPUKSTISA-UHFFFAOYSA-N -1 3 393.450 0.992 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OCCc1cccs1 ZINC000737896093 598841945 /nfs/dbraw/zinc/84/19/45/598841945.db2.gz TUCBHJPUKSTISA-UHFFFAOYSA-N -1 3 393.450 0.992 20 0 GCADHM Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737618908 598845858 /nfs/dbraw/zinc/84/58/58/598845858.db2.gz OTWWAWULYYSFLR-NSHDSACASA-N -1 3 392.420 0.703 20 0 GCADHM Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737618908 598845859 /nfs/dbraw/zinc/84/58/59/598845859.db2.gz OTWWAWULYYSFLR-NSHDSACASA-N -1 3 392.420 0.703 20 0 GCADHM Cn1cccc(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1=O ZINC000737613452 598846531 /nfs/dbraw/zinc/84/65/31/598846531.db2.gz PALIAHPEJJVQGL-AWEZNQCLSA-N -1 3 380.364 0.528 20 0 GCADHM Cn1cccc(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1=O ZINC000737613452 598846534 /nfs/dbraw/zinc/84/65/34/598846534.db2.gz PALIAHPEJJVQGL-AWEZNQCLSA-N -1 3 380.364 0.528 20 0 GCADHM O=C(COC(=O)COC[C@@H]1CCCO1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737903859 598849845 /nfs/dbraw/zinc/84/98/45/598849845.db2.gz DDTNOZSAKIDLDJ-AWEZNQCLSA-N -1 3 375.385 0.222 20 0 GCADHM O=C(COC(=O)COC[C@@H]1CCCO1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737903859 598849848 /nfs/dbraw/zinc/84/98/48/598849848.db2.gz DDTNOZSAKIDLDJ-AWEZNQCLSA-N -1 3 375.385 0.222 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C)CC(=O)N1CCCC1 ZINC000737526013 598850528 /nfs/dbraw/zinc/85/05/28/598850528.db2.gz VJEYNPSQYCWAEG-UHFFFAOYSA-N -1 3 381.444 0.945 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C)CC(=O)N1CCCC1 ZINC000737526013 598850529 /nfs/dbraw/zinc/85/05/29/598850529.db2.gz VJEYNPSQYCWAEG-UHFFFAOYSA-N -1 3 381.444 0.945 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736039702 598853313 /nfs/dbraw/zinc/85/33/13/598853313.db2.gz KBWFUULIISFAOV-LBPRGKRZSA-N -1 3 393.473 0.131 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736039702 598853315 /nfs/dbraw/zinc/85/33/15/598853315.db2.gz KBWFUULIISFAOV-LBPRGKRZSA-N -1 3 393.473 0.131 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736656233 598853890 /nfs/dbraw/zinc/85/38/90/598853890.db2.gz IOPOTANVBVMXNK-JTQLQIEISA-N -1 3 380.430 0.087 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736656233 598853891 /nfs/dbraw/zinc/85/38/91/598853891.db2.gz IOPOTANVBVMXNK-JTQLQIEISA-N -1 3 380.430 0.087 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000735571399 598855034 /nfs/dbraw/zinc/85/50/34/598855034.db2.gz CUDIBOQZPRSKTA-VHSXEESVSA-N -1 3 380.430 0.085 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000735571399 598855035 /nfs/dbraw/zinc/85/50/35/598855035.db2.gz CUDIBOQZPRSKTA-VHSXEESVSA-N -1 3 380.430 0.085 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC000735571854 598855236 /nfs/dbraw/zinc/85/52/36/598855236.db2.gz LDNPQMPMEDXSOR-VHSXEESVSA-N -1 3 380.430 0.085 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000735571854 598855238 /nfs/dbraw/zinc/85/52/38/598855238.db2.gz LDNPQMPMEDXSOR-VHSXEESVSA-N -1 3 380.430 0.085 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](OC)C(F)(F)F ZINC000737058358 598855610 /nfs/dbraw/zinc/85/56/10/598855610.db2.gz KTRPGMOYSHIHAZ-JTQLQIEISA-N -1 3 388.306 0.507 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](OC)C(F)(F)F ZINC000737058358 598855611 /nfs/dbraw/zinc/85/56/11/598855611.db2.gz KTRPGMOYSHIHAZ-JTQLQIEISA-N -1 3 388.306 0.507 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000736900065 598860851 /nfs/dbraw/zinc/86/08/51/598860851.db2.gz CJIXFZVWCHWFEZ-CABCVRRESA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000736900065 598860852 /nfs/dbraw/zinc/86/08/52/598860852.db2.gz CJIXFZVWCHWFEZ-CABCVRRESA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000736899555 598861676 /nfs/dbraw/zinc/86/16/76/598861676.db2.gz BQJHAFNGAFCOHM-DLBZAZTESA-N -1 3 397.439 0.987 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000736899555 598861677 /nfs/dbraw/zinc/86/16/77/598861677.db2.gz BQJHAFNGAFCOHM-DLBZAZTESA-N -1 3 397.439 0.987 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2noc(C)n2)C1 ZINC000736910253 598861888 /nfs/dbraw/zinc/86/18/88/598861888.db2.gz UXRODONCZRTYSB-KGLIPLIRSA-N -1 3 385.384 0.846 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2noc(C)n2)C1 ZINC000736910253 598861889 /nfs/dbraw/zinc/86/18/89/598861889.db2.gz UXRODONCZRTYSB-KGLIPLIRSA-N -1 3 385.384 0.846 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000736899560 598862099 /nfs/dbraw/zinc/86/20/99/598862099.db2.gz BQJHAFNGAFCOHM-IRXDYDNUSA-N -1 3 397.439 0.987 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000736899560 598862102 /nfs/dbraw/zinc/86/21/02/598862102.db2.gz BQJHAFNGAFCOHM-IRXDYDNUSA-N -1 3 397.439 0.987 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000736910703 598862875 /nfs/dbraw/zinc/86/28/75/598862875.db2.gz YAHKMUQNBAEHES-LSDHHAIUSA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000736910703 598862877 /nfs/dbraw/zinc/86/28/77/598862877.db2.gz YAHKMUQNBAEHES-LSDHHAIUSA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCc2nnc(N(C)C)cc2C1 ZINC000736909451 598863271 /nfs/dbraw/zinc/86/32/71/598863271.db2.gz PGINNACAVDNKQL-QGZVFWFLSA-N -1 3 394.439 0.995 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2nnc(N(C)C)cc2C1 ZINC000736909451 598863272 /nfs/dbraw/zinc/86/32/72/598863272.db2.gz PGINNACAVDNKQL-QGZVFWFLSA-N -1 3 394.439 0.995 20 0 GCADHM CN(CC1CC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736791665 598863345 /nfs/dbraw/zinc/86/33/45/598863345.db2.gz BYURTJDNYNCVKD-CQSZACIVSA-N -1 3 383.412 0.940 20 0 GCADHM CN(CC1CC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736791665 598863346 /nfs/dbraw/zinc/86/33/46/598863346.db2.gz BYURTJDNYNCVKD-CQSZACIVSA-N -1 3 383.412 0.940 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NC1(C(N)=O)CCCC1 ZINC000737033844 598864145 /nfs/dbraw/zinc/86/41/45/598864145.db2.gz VAVDLXBJRUZTKL-UHFFFAOYSA-N -1 3 388.428 0.949 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NC1(C(N)=O)CCCC1 ZINC000737033844 598864147 /nfs/dbraw/zinc/86/41/47/598864147.db2.gz VAVDLXBJRUZTKL-UHFFFAOYSA-N -1 3 388.428 0.949 20 0 GCADHM Cc1noc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000737547797 598867650 /nfs/dbraw/zinc/86/76/50/598867650.db2.gz XUKDEKUADFWVOX-NSHDSACASA-N -1 3 397.355 0.402 20 0 GCADHM Cc1noc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737547797 598867651 /nfs/dbraw/zinc/86/76/51/598867651.db2.gz XUKDEKUADFWVOX-NSHDSACASA-N -1 3 397.355 0.402 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)Nc1ccncc1 ZINC000737825624 598867680 /nfs/dbraw/zinc/86/76/80/598867680.db2.gz MXCULCWTDZPKIE-AWEZNQCLSA-N -1 3 392.379 0.527 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)Nc1ccncc1 ZINC000737825624 598867681 /nfs/dbraw/zinc/86/76/81/598867681.db2.gz MXCULCWTDZPKIE-AWEZNQCLSA-N -1 3 392.379 0.527 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN(c2ccccn2)CC1 ZINC000738347305 598867868 /nfs/dbraw/zinc/86/78/68/598867868.db2.gz GSMKQHWXHXZICV-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN(c2ccccn2)CC1 ZINC000738347305 598867869 /nfs/dbraw/zinc/86/78/69/598867869.db2.gz GSMKQHWXHXZICV-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@H](C2OCCO2)C1 ZINC000738347901 598873883 /nfs/dbraw/zinc/87/38/83/598873883.db2.gz PZPTZEWCPOTREU-LLVKDONJSA-N -1 3 383.405 0.779 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H](C2OCCO2)C1 ZINC000738347901 598873884 /nfs/dbraw/zinc/87/38/84/598873884.db2.gz PZPTZEWCPOTREU-LLVKDONJSA-N -1 3 383.405 0.779 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC000736623361 598875470 /nfs/dbraw/zinc/87/54/70/598875470.db2.gz FJOLLLDSWFMKBM-GFCCVEGCSA-N -1 3 398.464 0.737 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC000736623361 598875472 /nfs/dbraw/zinc/87/54/72/598875472.db2.gz FJOLLLDSWFMKBM-GFCCVEGCSA-N -1 3 398.464 0.737 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CCN1CCOC ZINC000736406144 598875594 /nfs/dbraw/zinc/87/55/94/598875594.db2.gz JNIRBRIXAVLGIB-CYBMUJFWSA-N -1 3 398.464 0.737 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCN1CCOC ZINC000736406144 598875596 /nfs/dbraw/zinc/87/55/96/598875596.db2.gz JNIRBRIXAVLGIB-CYBMUJFWSA-N -1 3 398.464 0.737 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCOC[C@@H]1C(F)(F)F ZINC000738328431 598876152 /nfs/dbraw/zinc/87/61/52/598876152.db2.gz BEDBGUBVDDIXST-LLVKDONJSA-N -1 3 377.348 0.960 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCOC[C@@H]1C(F)(F)F ZINC000738328431 598876153 /nfs/dbraw/zinc/87/61/53/598876153.db2.gz BEDBGUBVDDIXST-LLVKDONJSA-N -1 3 377.348 0.960 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCOC[C@@H]1C(F)(F)F ZINC000738354640 598876740 /nfs/dbraw/zinc/87/67/40/598876740.db2.gz IVUSYMDJMRWVPW-SNVBAGLBSA-N -1 3 381.311 0.958 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@H](C(F)(F)F)C1 ZINC000738348516 598877724 /nfs/dbraw/zinc/87/77/24/598877724.db2.gz UXXCSANVYBDAOR-JTQLQIEISA-N -1 3 381.311 0.958 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@H](C(F)(F)F)C1 ZINC000738348516 598877726 /nfs/dbraw/zinc/87/77/26/598877726.db2.gz UXXCSANVYBDAOR-JTQLQIEISA-N -1 3 381.311 0.958 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)OCC(=O)C1CC1 ZINC000737824191 598878696 /nfs/dbraw/zinc/87/86/96/598878696.db2.gz FMSLQFSEUSVKEY-CYBMUJFWSA-N -1 3 398.379 0.594 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCC(=O)C1CC1 ZINC000737824191 598878699 /nfs/dbraw/zinc/87/86/99/598878699.db2.gz FMSLQFSEUSVKEY-CYBMUJFWSA-N -1 3 398.379 0.594 20 0 GCADHM COC(=O)[C@H](NCCNC(=O)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736895987 598881848 /nfs/dbraw/zinc/88/18/48/598881848.db2.gz KVXZABGDNFMERT-OAHLLOKOSA-N -1 3 381.396 0.495 20 0 GCADHM COC(=O)[C@H](NCCNC(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736895987 598881849 /nfs/dbraw/zinc/88/18/49/598881849.db2.gz KVXZABGDNFMERT-OAHLLOKOSA-N -1 3 381.396 0.495 20 0 GCADHM COC(=O)[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894773 598884672 /nfs/dbraw/zinc/88/46/72/598884672.db2.gz IHCNJDPFFDOENR-VXGBXAGGSA-N -1 3 398.345 0.834 20 0 GCADHM COC(=O)[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894773 598884673 /nfs/dbraw/zinc/88/46/73/598884673.db2.gz IHCNJDPFFDOENR-VXGBXAGGSA-N -1 3 398.345 0.834 20 0 GCADHM COCCN1C[C@@H](C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000737008391 598886723 /nfs/dbraw/zinc/88/67/23/598886723.db2.gz SRBAOCDMKJPDNB-OCCSQVGLSA-N -1 3 389.412 0.672 20 0 GCADHM COCCN1C[C@@H](C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000737008391 598886725 /nfs/dbraw/zinc/88/67/25/598886725.db2.gz SRBAOCDMKJPDNB-OCCSQVGLSA-N -1 3 389.412 0.672 20 0 GCADHM C[C@@](O)(CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736142322 598891644 /nfs/dbraw/zinc/89/16/44/598891644.db2.gz NGQVKAOVAUXOAP-QGZVFWFLSA-N -1 3 386.437 0.682 20 0 GCADHM C[C@@](O)(CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736142322 598891646 /nfs/dbraw/zinc/89/16/46/598891646.db2.gz NGQVKAOVAUXOAP-QGZVFWFLSA-N -1 3 386.437 0.682 20 0 GCADHM NC(=O)N1CC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000737757813 598895011 /nfs/dbraw/zinc/89/50/11/598895011.db2.gz AXOVEWCXYPQDCP-LLVKDONJSA-N -1 3 397.395 0.922 20 0 GCADHM NC(=O)N1CC[C@@H](NC(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000737757813 598895012 /nfs/dbraw/zinc/89/50/12/598895012.db2.gz AXOVEWCXYPQDCP-LLVKDONJSA-N -1 3 397.395 0.922 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H](C)N1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894408 598897070 /nfs/dbraw/zinc/89/70/70/598897070.db2.gz CMHILGUIFMCPCT-YMTOWFKASA-N -1 3 387.352 0.162 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H](C)N1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894408 598897072 /nfs/dbraw/zinc/89/70/72/598897072.db2.gz CMHILGUIFMCPCT-YMTOWFKASA-N -1 3 387.352 0.162 20 0 GCADHM COC(=O)[C@H](OC(=O)C1CCS(=O)(=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898073 598900743 /nfs/dbraw/zinc/90/07/43/598900743.db2.gz OUACTCQQRLEQRL-CYBMUJFWSA-N -1 3 394.409 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)C1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898073 598900744 /nfs/dbraw/zinc/90/07/44/598900744.db2.gz OUACTCQQRLEQRL-CYBMUJFWSA-N -1 3 394.409 0.449 20 0 GCADHM Cc1nc(CN2CCN([C@@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000737477728 598897690 /nfs/dbraw/zinc/89/76/90/598897690.db2.gz NLIZNFMRSOHOJP-LBPRGKRZSA-N -1 3 397.443 0.703 20 0 GCADHM Cc1nc(CN2CCN([C@@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000737477728 598897692 /nfs/dbraw/zinc/89/76/92/598897692.db2.gz NLIZNFMRSOHOJP-LBPRGKRZSA-N -1 3 397.443 0.703 20 0 GCADHM COC(=O)[C@H](OC(=O)CCCS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900964 598901008 /nfs/dbraw/zinc/90/10/08/598901008.db2.gz VFQHZKGCDODIKW-CYBMUJFWSA-N -1 3 382.398 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)CCCS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900964 598901010 /nfs/dbraw/zinc/90/10/10/598901010.db2.gz VFQHZKGCDODIKW-CYBMUJFWSA-N -1 3 382.398 0.449 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1ccccn1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736156028 598901455 /nfs/dbraw/zinc/90/14/55/598901455.db2.gz RUFPOVNXBIEGFR-LLVKDONJSA-N -1 3 395.379 0.562 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1ccccn1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736156028 598901456 /nfs/dbraw/zinc/90/14/56/598901456.db2.gz RUFPOVNXBIEGFR-LLVKDONJSA-N -1 3 395.379 0.562 20 0 GCADHM COC(=O)NCCCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736937158 598901730 /nfs/dbraw/zinc/90/17/30/598901730.db2.gz JOMUANSTQDVJKJ-CYBMUJFWSA-N -1 3 377.357 0.760 20 0 GCADHM COC(=O)NCCCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736937158 598901732 /nfs/dbraw/zinc/90/17/32/598901732.db2.gz JOMUANSTQDVJKJ-CYBMUJFWSA-N -1 3 377.357 0.760 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000736677395 598907872 /nfs/dbraw/zinc/90/78/72/598907872.db2.gz YZYCAZNFNVZTJO-UHFFFAOYSA-N -1 3 396.411 0.704 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000736677395 598907874 /nfs/dbraw/zinc/90/78/74/598907874.db2.gz YZYCAZNFNVZTJO-UHFFFAOYSA-N -1 3 396.411 0.704 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000738163157 598908793 /nfs/dbraw/zinc/90/87/93/598908793.db2.gz OYFZHKFWCDVBRJ-JTQLQIEISA-N -1 3 388.281 0.734 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000738163157 598908794 /nfs/dbraw/zinc/90/87/94/598908794.db2.gz OYFZHKFWCDVBRJ-JTQLQIEISA-N -1 3 388.281 0.734 20 0 GCADHM O=C(N[C@H]1CCCS(=O)(=O)C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738024299 598910983 /nfs/dbraw/zinc/91/09/83/598910983.db2.gz KJNJTFSBPNBWHR-DZGCQCFKSA-N -1 3 390.469 0.529 20 0 GCADHM CC(C)(CNC(=O)C=Cc1cccc(-c2nnn[n-]2)c1)N1CCS(=O)CC1 ZINC000735666062 598911561 /nfs/dbraw/zinc/91/15/61/598911561.db2.gz LWNKFFPEBHDMTB-VOTSOKGWSA-N -1 3 388.497 0.839 20 0 GCADHM CC(C)(CNC(=O)C=Cc1cccc(-c2nn[n-]n2)c1)N1CCS(=O)CC1 ZINC000735666062 598911563 /nfs/dbraw/zinc/91/15/63/598911563.db2.gz LWNKFFPEBHDMTB-VOTSOKGWSA-N -1 3 388.497 0.839 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCN(C(N)=O)C2)c1-c1nnn[n-]1 ZINC000737190069 598911578 /nfs/dbraw/zinc/91/15/78/598911578.db2.gz UDYSSTUMYIPEKH-SECBINFHSA-N -1 3 388.457 0.744 20 0 GCADHM NC(=O)N1CC[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737759600 598911882 /nfs/dbraw/zinc/91/18/82/598911882.db2.gz WHPAJEBBOUUTQK-ZDUSSCGKSA-N -1 3 397.395 0.922 20 0 GCADHM NC(=O)N1CC[C@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737759600 598911884 /nfs/dbraw/zinc/91/18/84/598911884.db2.gz WHPAJEBBOUUTQK-ZDUSSCGKSA-N -1 3 397.395 0.922 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737763347 598912023 /nfs/dbraw/zinc/91/20/23/598912023.db2.gz BVPDOEBERZYLLK-ZDUSSCGKSA-N -1 3 396.498 0.379 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737763347 598912025 /nfs/dbraw/zinc/91/20/25/598912025.db2.gz BVPDOEBERZYLLK-ZDUSSCGKSA-N -1 3 396.498 0.379 20 0 GCADHM CSc1nn(C)c(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1C(N)=O ZINC000737188534 598912476 /nfs/dbraw/zinc/91/24/76/598912476.db2.gz AUWAZDVCMQKFQT-UHFFFAOYSA-N -1 3 386.441 0.992 20 0 GCADHM CSc1nn(C)c(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1C(N)=O ZINC000737188534 598912478 /nfs/dbraw/zinc/91/24/78/598912478.db2.gz AUWAZDVCMQKFQT-UHFFFAOYSA-N -1 3 386.441 0.992 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)CCN2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000737548413 598916220 /nfs/dbraw/zinc/91/62/20/598916220.db2.gz QAUJHXYLABDASL-GFCCVEGCSA-N -1 3 377.449 0.668 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)CCN2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000737548413 598916221 /nfs/dbraw/zinc/91/62/21/598916221.db2.gz QAUJHXYLABDASL-GFCCVEGCSA-N -1 3 377.449 0.668 20 0 GCADHM Cc1nc(NC(=O)C=Cc2cnn(C)c2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737481563 598923958 /nfs/dbraw/zinc/92/39/58/598923958.db2.gz ZDSKBSDUPOWNBE-BAQGIRSFSA-N -1 3 376.384 0.563 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCn1cnnc1C(C)C ZINC000737023467 598924229 /nfs/dbraw/zinc/92/42/29/598924229.db2.gz KTABXESTIVFMOK-UHFFFAOYSA-N -1 3 386.416 0.785 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCn1cnnc1C(C)C ZINC000737023467 598924231 /nfs/dbraw/zinc/92/42/31/598924231.db2.gz KTABXESTIVFMOK-UHFFFAOYSA-N -1 3 386.416 0.785 20 0 GCADHM NS(=O)(=O)[C@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737764213 598926133 /nfs/dbraw/zinc/92/61/33/598926133.db2.gz HSKXNRKQECRIQS-LBPRGKRZSA-N -1 3 382.471 0.238 20 0 GCADHM NS(=O)(=O)[C@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764213 598926134 /nfs/dbraw/zinc/92/61/34/598926134.db2.gz HSKXNRKQECRIQS-LBPRGKRZSA-N -1 3 382.471 0.238 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735874994 598927780 /nfs/dbraw/zinc/92/77/80/598927780.db2.gz JAYLRWFUAFPMRZ-CVEARBPZSA-N -1 3 383.456 0.961 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000736590415 598930034 /nfs/dbraw/zinc/93/00/34/598930034.db2.gz HOZPZRORUUIKLF-UHFFFAOYSA-N -1 3 375.385 0.162 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000736590415 598930035 /nfs/dbraw/zinc/93/00/35/598930035.db2.gz HOZPZRORUUIKLF-UHFFFAOYSA-N -1 3 375.385 0.162 20 0 GCADHM Cn1ccc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)cc1=O ZINC000737611833 598930803 /nfs/dbraw/zinc/93/08/03/598930803.db2.gz INEQSRABJXZPGM-UHFFFAOYSA-N -1 3 379.424 0.964 20 0 GCADHM Cn1ccc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)cc1=O ZINC000737611833 598930805 /nfs/dbraw/zinc/93/08/05/598930805.db2.gz INEQSRABJXZPGM-UHFFFAOYSA-N -1 3 379.424 0.964 20 0 GCADHM O=C([C@@H]1CSC(=O)N1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738316120 598931558 /nfs/dbraw/zinc/93/15/58/598931558.db2.gz PXMJELZUQXLYSO-NSHDSACASA-N -1 3 377.405 0.479 20 0 GCADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N1CCN(CCn2cncn2)CC1 ZINC000737851269 598931577 /nfs/dbraw/zinc/93/15/77/598931577.db2.gz FUMNKVHCQVVHPK-UHFFFAOYSA-N -1 3 381.444 0.235 20 0 GCADHM Cc1nc(NC(=O)c2ccc(C)[nH]c2=O)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737481652 598932566 /nfs/dbraw/zinc/93/25/66/598932566.db2.gz CRAFFKNIWDCJLC-UHFFFAOYSA-N -1 3 377.368 0.839 20 0 GCADHM Cc1nc(NC(=O)CNC(=O)CC(C)(C)C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480603 598932592 /nfs/dbraw/zinc/93/25/92/598932592.db2.gz PYBGILGQUBCKOB-UHFFFAOYSA-N -1 3 397.443 0.669 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(C)CC(C)(C)O ZINC000736987563 598946944 /nfs/dbraw/zinc/94/69/44/598946944.db2.gz JLSKQYLFBBZNLS-UHFFFAOYSA-N -1 3 393.492 0.963 20 0 GCADHM COC(=O)CCN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCCO1 ZINC000736913342 598947073 /nfs/dbraw/zinc/94/70/73/598947073.db2.gz NGRSFBIBHSBBHV-OAHLLOKOSA-N -1 3 388.428 0.849 20 0 GCADHM COC(=O)CCN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCCO1 ZINC000736913342 598947074 /nfs/dbraw/zinc/94/70/74/598947074.db2.gz NGRSFBIBHSBBHV-OAHLLOKOSA-N -1 3 388.428 0.849 20 0 GCADHM CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736592295 598949677 /nfs/dbraw/zinc/94/96/77/598949677.db2.gz BXVFVSXSYHIPNJ-LBPRGKRZSA-N -1 3 397.482 0.844 20 0 GCADHM CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736592295 598949678 /nfs/dbraw/zinc/94/96/78/598949678.db2.gz BXVFVSXSYHIPNJ-LBPRGKRZSA-N -1 3 397.482 0.844 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)no1 ZINC000737269876 598950171 /nfs/dbraw/zinc/95/01/71/598950171.db2.gz CVUJXVXSIKHRIP-UHFFFAOYSA-N -1 3 391.413 0.731 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)no1 ZINC000737269876 598950173 /nfs/dbraw/zinc/95/01/73/598950173.db2.gz CVUJXVXSIKHRIP-UHFFFAOYSA-N -1 3 391.413 0.731 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000737298544 598950553 /nfs/dbraw/zinc/95/05/53/598950553.db2.gz RBUPHSPOADJHEF-ZIAGYGMSSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000737298544 598950555 /nfs/dbraw/zinc/95/05/55/598950555.db2.gz RBUPHSPOADJHEF-ZIAGYGMSSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000737296906 598952777 /nfs/dbraw/zinc/95/27/77/598952777.db2.gz AADHKYZWTDMKOG-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000737296906 598952779 /nfs/dbraw/zinc/95/27/79/598952779.db2.gz AADHKYZWTDMKOG-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000737777287 598953602 /nfs/dbraw/zinc/95/36/02/598953602.db2.gz SOXSDYYHOOTORR-WFASDCNBSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000737777287 598953603 /nfs/dbraw/zinc/95/36/03/598953603.db2.gz SOXSDYYHOOTORR-WFASDCNBSA-N -1 3 382.428 0.916 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000737297768 598954843 /nfs/dbraw/zinc/95/48/43/598954843.db2.gz LGOALKGIRQGIJZ-AWEZNQCLSA-N -1 3 386.437 0.550 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000737297768 598954844 /nfs/dbraw/zinc/95/48/44/598954844.db2.gz LGOALKGIRQGIJZ-AWEZNQCLSA-N -1 3 386.437 0.550 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736509227 598955374 /nfs/dbraw/zinc/95/53/74/598955374.db2.gz AUCZYHZXWDHHGG-LBPRGKRZSA-N -1 3 396.498 0.717 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736509227 598955376 /nfs/dbraw/zinc/95/53/76/598955376.db2.gz AUCZYHZXWDHHGG-LBPRGKRZSA-N -1 3 396.498 0.717 20 0 GCADHM Cc1nc2ncnn2c(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1C ZINC000737489971 598955769 /nfs/dbraw/zinc/95/57/69/598955769.db2.gz PAPVIDGWFSHPBY-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM Cc1nc2ncnn2c(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1C ZINC000737489971 598955770 /nfs/dbraw/zinc/95/57/70/598955770.db2.gz PAPVIDGWFSHPBY-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000737300045 598956487 /nfs/dbraw/zinc/95/64/87/598956487.db2.gz VDKCEWSGCGYEDF-QWHCGFSZSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000737300045 598956492 /nfs/dbraw/zinc/95/64/92/598956492.db2.gz VDKCEWSGCGYEDF-QWHCGFSZSA-N -1 3 380.474 0.563 20 0 GCADHM CN(C)C(=O)Cn1ccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000736752387 598961691 /nfs/dbraw/zinc/96/16/91/598961691.db2.gz WRCNQGCZSZIBKW-CQSZACIVSA-N -1 3 395.427 0.369 20 0 GCADHM CN(C)C(=O)Cn1ccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000736752387 598961694 /nfs/dbraw/zinc/96/16/94/598961694.db2.gz WRCNQGCZSZIBKW-CQSZACIVSA-N -1 3 395.427 0.369 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000735874463 598967464 /nfs/dbraw/zinc/96/74/64/598967464.db2.gz DZFWICLLESYLKI-HNNXBMFYSA-N -1 3 398.471 0.708 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000735874463 598967468 /nfs/dbraw/zinc/96/74/68/598967468.db2.gz DZFWICLLESYLKI-HNNXBMFYSA-N -1 3 398.471 0.708 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC000735875047 598967561 /nfs/dbraw/zinc/96/75/61/598967561.db2.gz JNSZDJGRZDGXPM-LBPRGKRZSA-N -1 3 375.364 0.070 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC000735875047 598967563 /nfs/dbraw/zinc/96/75/63/598967563.db2.gz JNSZDJGRZDGXPM-LBPRGKRZSA-N -1 3 375.364 0.070 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1=O ZINC000735875041 598967808 /nfs/dbraw/zinc/96/78/08/598967808.db2.gz JNDGLTBZKMPTDG-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1=O ZINC000735875041 598967809 /nfs/dbraw/zinc/96/78/09/598967809.db2.gz JNDGLTBZKMPTDG-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736746659 598968419 /nfs/dbraw/zinc/96/84/19/598968419.db2.gz NFCWVFURQCFELW-GXTWGEPZSA-N -1 3 385.428 0.568 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736746659 598968423 /nfs/dbraw/zinc/96/84/23/598968423.db2.gz NFCWVFURQCFELW-GXTWGEPZSA-N -1 3 385.428 0.568 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736748939 598968510 /nfs/dbraw/zinc/96/85/10/598968510.db2.gz ZVJVSOCAUPEYEQ-JSGCOSHPSA-N -1 3 385.428 0.568 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736748939 598968514 /nfs/dbraw/zinc/96/85/14/598968514.db2.gz ZVJVSOCAUPEYEQ-JSGCOSHPSA-N -1 3 385.428 0.568 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736705913 598971561 /nfs/dbraw/zinc/97/15/61/598971561.db2.gz OVPZFWCOXQOXAV-ZDUSSCGKSA-N -1 3 388.457 0.455 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736705913 598971563 /nfs/dbraw/zinc/97/15/63/598971563.db2.gz OVPZFWCOXQOXAV-ZDUSSCGKSA-N -1 3 388.457 0.455 20 0 GCADHM CC(C)(C)[C@H](O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735589607 598972547 /nfs/dbraw/zinc/97/25/47/598972547.db2.gz MUPAFZRZLNKDLC-CQSZACIVSA-N -1 3 388.476 0.937 20 0 GCADHM CC(C)(C)[C@H](O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735589607 598972549 /nfs/dbraw/zinc/97/25/49/598972549.db2.gz MUPAFZRZLNKDLC-CQSZACIVSA-N -1 3 388.476 0.937 20 0 GCADHM O=S(=O)(NC1CCN(C[C@H]2CCCO2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344746 598972707 /nfs/dbraw/zinc/97/27/07/598972707.db2.gz ZSHKGYUFZXPDIO-CYBMUJFWSA-N -1 3 393.473 0.183 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000738078134 598973632 /nfs/dbraw/zinc/97/36/32/598973632.db2.gz NJGZDBVWEWXTLL-GFCCVEGCSA-N -1 3 382.432 0.986 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000738078134 598973633 /nfs/dbraw/zinc/97/36/33/598973633.db2.gz NJGZDBVWEWXTLL-GFCCVEGCSA-N -1 3 382.432 0.986 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCON=C(N)C(C)(C)NC(C)=O ZINC000737033158 598980113 /nfs/dbraw/zinc/98/01/13/598980113.db2.gz TUXPXGLUBIOHEO-UHFFFAOYSA-N -1 3 377.405 0.667 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCON=C(N)C(C)(C)NC(C)=O ZINC000737033158 598980114 /nfs/dbraw/zinc/98/01/14/598980114.db2.gz TUXPXGLUBIOHEO-UHFFFAOYSA-N -1 3 377.405 0.667 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCCN(S(C)(=O)=O)CC1 ZINC000737033773 598980977 /nfs/dbraw/zinc/98/09/77/598980977.db2.gz YQOKYADDGHIJNA-UHFFFAOYSA-N -1 3 396.473 0.221 20 0 GCADHM Cn1c(CO)nn(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1=S ZINC000822596187 607256237 /nfs/dbraw/zinc/25/62/37/607256237.db2.gz IQVHGRVKFKYGAP-UHFFFAOYSA-N -1 3 387.473 0.403 20 0 GCADHM Cn1c(CO)nn(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1=S ZINC000822596187 607256238 /nfs/dbraw/zinc/25/62/38/607256238.db2.gz IQVHGRVKFKYGAP-UHFFFAOYSA-N -1 3 387.473 0.403 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCO[C@H](CNC(C)=O)C1 ZINC000737031658 598987187 /nfs/dbraw/zinc/98/71/87/598987187.db2.gz CGLYLOINZZWJBF-CQSZACIVSA-N -1 3 376.417 0.091 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCO[C@H](CNC(C)=O)C1 ZINC000737031658 598987188 /nfs/dbraw/zinc/98/71/88/598987188.db2.gz CGLYLOINZZWJBF-CQSZACIVSA-N -1 3 376.417 0.091 20 0 GCADHM CN1CCN(CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1=O ZINC000736865539 598990273 /nfs/dbraw/zinc/99/02/73/598990273.db2.gz ZECASSMUMVHGFP-UHFFFAOYSA-N -1 3 375.458 0.520 20 0 GCADHM CN1CCN(CCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1=O ZINC000736865539 598990274 /nfs/dbraw/zinc/99/02/74/598990274.db2.gz ZECASSMUMVHGFP-UHFFFAOYSA-N -1 3 375.458 0.520 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000736786731 598993737 /nfs/dbraw/zinc/99/37/37/598993737.db2.gz CQFDOBJPGDCWGL-SNVBAGLBSA-N -1 3 398.876 0.825 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000736786731 598993738 /nfs/dbraw/zinc/99/37/38/598993738.db2.gz CQFDOBJPGDCWGL-SNVBAGLBSA-N -1 3 398.876 0.825 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000737224419 598998123 /nfs/dbraw/zinc/99/81/23/598998123.db2.gz UZOSLIOPPDHHGD-OKILXGFUSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000737224419 598998124 /nfs/dbraw/zinc/99/81/24/598998124.db2.gz UZOSLIOPPDHHGD-OKILXGFUSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000737222032 598999293 /nfs/dbraw/zinc/99/92/93/598999293.db2.gz SWDSZIRFWMBLLI-UHFFFAOYSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000737222032 598999295 /nfs/dbraw/zinc/99/92/95/598999295.db2.gz SWDSZIRFWMBLLI-UHFFFAOYSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000737224365 598999502 /nfs/dbraw/zinc/99/95/02/598999502.db2.gz SJSLIXOFXDJFBI-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCC(=O)N1CCCCC1 ZINC000737224365 598999504 /nfs/dbraw/zinc/99/95/04/598999504.db2.gz SJSLIXOFXDJFBI-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCN1C(=O)CSC1=O ZINC000737223934 599000735 /nfs/dbraw/zinc/00/07/35/599000735.db2.gz LYNQAFJNBDEBSS-UHFFFAOYSA-N -1 3 382.427 0.149 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCN1C(=O)CSC1=O ZINC000737223934 599000737 /nfs/dbraw/zinc/00/07/37/599000737.db2.gz LYNQAFJNBDEBSS-UHFFFAOYSA-N -1 3 382.427 0.149 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(N2CCCC2=O)CC1 ZINC000737222326 599004027 /nfs/dbraw/zinc/00/40/27/599004027.db2.gz XCBDZYLSQRLMKI-UHFFFAOYSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(N2CCCC2=O)CC1 ZINC000737222326 599004028 /nfs/dbraw/zinc/00/40/28/599004028.db2.gz XCBDZYLSQRLMKI-UHFFFAOYSA-N -1 3 390.469 0.951 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CC1=O ZINC000736866453 599006144 /nfs/dbraw/zinc/00/61/44/599006144.db2.gz GIWVCYIYWVSRRO-UHFFFAOYSA-N -1 3 390.347 0.348 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1=O ZINC000736866453 599006146 /nfs/dbraw/zinc/00/61/46/599006146.db2.gz GIWVCYIYWVSRRO-UHFFFAOYSA-N -1 3 390.347 0.348 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](C)CN1CCOCC1 ZINC000737224453 599007487 /nfs/dbraw/zinc/00/74/87/599007487.db2.gz VXSNKJUGHPHWOS-GFCCVEGCSA-N -1 3 380.474 0.422 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](C)CN1CCOCC1 ZINC000737224453 599007489 /nfs/dbraw/zinc/00/74/89/599007489.db2.gz VXSNKJUGHPHWOS-GFCCVEGCSA-N -1 3 380.474 0.422 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737161864 599010148 /nfs/dbraw/zinc/01/01/48/599010148.db2.gz MZSGLYVPWCJIIZ-BFHYXJOUSA-N -1 3 378.458 0.339 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737161446 599010455 /nfs/dbraw/zinc/01/04/55/599010455.db2.gz KCEMUYRZAWOBEO-DGCLKSJQSA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737161446 599010458 /nfs/dbraw/zinc/01/04/58/599010458.db2.gz KCEMUYRZAWOBEO-DGCLKSJQSA-N -1 3 385.471 0.501 20 0 GCADHM O=C(NCCCOC[C@H]1CCOC1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000738076992 599014844 /nfs/dbraw/zinc/01/48/44/599014844.db2.gz YKAPADDFVGTTEV-CYBMUJFWSA-N -1 3 390.448 0.416 20 0 GCADHM O=C(NCCCOC[C@H]1CCOC1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000738076992 599014846 /nfs/dbraw/zinc/01/48/46/599014846.db2.gz YKAPADDFVGTTEV-CYBMUJFWSA-N -1 3 390.448 0.416 20 0 GCADHM O=C(NCCCOC[C@@H]1CCOC1)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738074452 599013295 /nfs/dbraw/zinc/01/32/95/599013295.db2.gz CSNKQXQWVZSFHF-ZDUSSCGKSA-N -1 3 390.448 0.416 20 0 GCADHM O=C(NCCCOC[C@@H]1CCOC1)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738074452 599013297 /nfs/dbraw/zinc/01/32/97/599013297.db2.gz CSNKQXQWVZSFHF-ZDUSSCGKSA-N -1 3 390.448 0.416 20 0 GCADHM CCS(=O)(=O)c1ccc(Cl)c(C(=O)n2ncc(-c3nnn[n-]3)c2N)c1 ZINC000736663016 599014154 /nfs/dbraw/zinc/01/41/54/599014154.db2.gz AVCIZCNCISCAJF-UHFFFAOYSA-N -1 3 381.805 0.781 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@@H](O)CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737965 599017230 /nfs/dbraw/zinc/01/72/30/599017230.db2.gz SUHVGPDXQFGJPG-HOTGVXAUSA-N -1 3 381.392 0.930 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@@H](O)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737965 599017232 /nfs/dbraw/zinc/01/72/32/599017232.db2.gz SUHVGPDXQFGJPG-HOTGVXAUSA-N -1 3 381.392 0.930 20 0 GCADHM O=C(COC(=O)[C@@H](O)C1CCOCC1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737899872 599017253 /nfs/dbraw/zinc/01/72/53/599017253.db2.gz HSIZKIBTHHTDKX-AWEZNQCLSA-N -1 3 395.803 0.789 20 0 GCADHM O=C(COC(=O)[C@@H](O)C1CCOCC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737899872 599017255 /nfs/dbraw/zinc/01/72/55/599017255.db2.gz HSIZKIBTHHTDKX-AWEZNQCLSA-N -1 3 395.803 0.789 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@H](O)CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737966 599017281 /nfs/dbraw/zinc/01/72/81/599017281.db2.gz SUHVGPDXQFGJPG-HZPDHXFCSA-N -1 3 381.392 0.930 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@H](O)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737966 599017283 /nfs/dbraw/zinc/01/72/83/599017283.db2.gz SUHVGPDXQFGJPG-HZPDHXFCSA-N -1 3 381.392 0.930 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000737056976 599020925 /nfs/dbraw/zinc/02/09/25/599020925.db2.gz FPVCEPLRKPYZLQ-SNVBAGLBSA-N -1 3 380.430 0.774 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000737056976 599020927 /nfs/dbraw/zinc/02/09/27/599020927.db2.gz FPVCEPLRKPYZLQ-SNVBAGLBSA-N -1 3 380.430 0.774 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000737056975 599020973 /nfs/dbraw/zinc/02/09/73/599020973.db2.gz FPVCEPLRKPYZLQ-JTQLQIEISA-N -1 3 380.430 0.774 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000737056975 599020975 /nfs/dbraw/zinc/02/09/75/599020975.db2.gz FPVCEPLRKPYZLQ-JTQLQIEISA-N -1 3 380.430 0.774 20 0 GCADHM C[C@H](O)C[C@H](C)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736144104 599023460 /nfs/dbraw/zinc/02/34/60/599023460.db2.gz NHYJHMFREWPHHF-STQMWFEESA-N -1 3 388.476 0.937 20 0 GCADHM C[C@H](O)C[C@H](C)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736144104 599023462 /nfs/dbraw/zinc/02/34/62/599023462.db2.gz NHYJHMFREWPHHF-STQMWFEESA-N -1 3 388.476 0.937 20 0 GCADHM CCn1ccnc1S(=O)(=O)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736723591 599023894 /nfs/dbraw/zinc/02/38/94/599023894.db2.gz YKIVPQCTKAPXMS-UHFFFAOYSA-N -1 3 378.414 0.944 20 0 GCADHM CCn1ccnc1S(=O)(=O)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736723591 599023895 /nfs/dbraw/zinc/02/38/95/599023895.db2.gz YKIVPQCTKAPXMS-UHFFFAOYSA-N -1 3 378.414 0.944 20 0 GCADHM CCn1cnnc1S(=O)(=O)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736723328 599023906 /nfs/dbraw/zinc/02/39/06/599023906.db2.gz WOWYSVBHHZZNKT-UHFFFAOYSA-N -1 3 379.402 0.339 20 0 GCADHM CCn1cnnc1S(=O)(=O)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736723328 599023908 /nfs/dbraw/zinc/02/39/08/599023908.db2.gz WOWYSVBHHZZNKT-UHFFFAOYSA-N -1 3 379.402 0.339 20 0 GCADHM CCN1CCN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)cn2)CC1 ZINC000736567674 599024038 /nfs/dbraw/zinc/02/40/38/599024038.db2.gz DLIDINIXCMRMTK-UHFFFAOYSA-N -1 3 393.455 0.729 20 0 GCADHM CCOC(=O)C1(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCC1 ZINC000736591614 599025322 /nfs/dbraw/zinc/02/53/22/599025322.db2.gz WVTCDWQIFYBAPM-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM CCOC(=O)C1(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCC1 ZINC000736591614 599025324 /nfs/dbraw/zinc/02/53/24/599025324.db2.gz WVTCDWQIFYBAPM-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000736168491 599029136 /nfs/dbraw/zinc/02/91/36/599029136.db2.gz HWGQLAGNLBVHGO-QWVSSGJLSA-N -1 3 392.485 0.157 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000736168486 599029187 /nfs/dbraw/zinc/02/91/87/599029187.db2.gz HWGQLAGNLBVHGO-JGTBNHKDSA-N -1 3 392.485 0.157 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN1Cc1ccccn1 ZINC000738079197 599030476 /nfs/dbraw/zinc/03/04/76/599030476.db2.gz XJIDFRCPVXJSFO-INIZCTEOSA-N -1 3 393.455 0.849 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN1Cc1ccccn1 ZINC000738079197 599030478 /nfs/dbraw/zinc/03/04/78/599030478.db2.gz XJIDFRCPVXJSFO-INIZCTEOSA-N -1 3 393.455 0.849 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=S)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000737162514 599032967 /nfs/dbraw/zinc/03/29/67/599032967.db2.gz MBTPYOAWEVXVPQ-UHFFFAOYSA-N -1 3 392.470 0.917 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=S)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000737162514 599032969 /nfs/dbraw/zinc/03/29/69/599032969.db2.gz MBTPYOAWEVXVPQ-UHFFFAOYSA-N -1 3 392.470 0.917 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)CCO1 ZINC000736592203 599040953 /nfs/dbraw/zinc/04/09/53/599040953.db2.gz ARYULAVXVZGOFT-RISCZKNCSA-N -1 3 375.385 0.425 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)CCO1 ZINC000736592203 599040956 /nfs/dbraw/zinc/04/09/56/599040956.db2.gz ARYULAVXVZGOFT-RISCZKNCSA-N -1 3 375.385 0.425 20 0 GCADHM CCOC(=O)[C@H]1CN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736593402 599047778 /nfs/dbraw/zinc/04/77/78/599047778.db2.gz HJXYBNHWCRKGQU-KGLIPLIRSA-N -1 3 375.385 0.345 20 0 GCADHM CCOC(=O)[C@H]1CN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736593402 599047780 /nfs/dbraw/zinc/04/77/80/599047780.db2.gz HJXYBNHWCRKGQU-KGLIPLIRSA-N -1 3 375.385 0.345 20 0 GCADHM O=S1(=O)CCC(O)(CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000738357835 599049508 /nfs/dbraw/zinc/04/95/08/599049508.db2.gz SKCPNMAXWWOTQX-UHFFFAOYSA-N -1 3 392.363 0.632 20 0 GCADHM O=S1(=O)CCC(O)(CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000738357835 599049511 /nfs/dbraw/zinc/04/95/11/599049511.db2.gz SKCPNMAXWWOTQX-UHFFFAOYSA-N -1 3 392.363 0.632 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)[C@H]2CCO[C@H]21 ZINC000736208579 599054693 /nfs/dbraw/zinc/05/46/93/599054693.db2.gz YVPFPTAUKNLKJQ-BPLDGKMQSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)[C@H]2CCO[C@H]21 ZINC000736208579 599054696 /nfs/dbraw/zinc/05/46/96/599054696.db2.gz YVPFPTAUKNLKJQ-BPLDGKMQSA-N -1 3 398.471 0.907 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCCOC[C@@H]2CCCO2)cc1 ZINC000737776367 599057253 /nfs/dbraw/zinc/05/72/53/599057253.db2.gz LJLRSFWUJQLXOH-AWEZNQCLSA-N -1 3 399.411 0.987 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCCOC[C@@H]2CCCO2)cc1 ZINC000737776367 599057256 /nfs/dbraw/zinc/05/72/56/599057256.db2.gz LJLRSFWUJQLXOH-AWEZNQCLSA-N -1 3 399.411 0.987 20 0 GCADHM CCOC(=O)C(=O)N1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000821313403 599057663 /nfs/dbraw/zinc/05/76/63/599057663.db2.gz DXRZYSXKPQAIRB-UHFFFAOYSA-N -1 3 399.333 0.492 20 0 GCADHM CCOC(=O)C(=O)N1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000821313403 599057665 /nfs/dbraw/zinc/05/76/65/599057665.db2.gz DXRZYSXKPQAIRB-UHFFFAOYSA-N -1 3 399.333 0.492 20 0 GCADHM O=C(NCC1(O)CCS(=O)(=O)CC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738037252 599059988 /nfs/dbraw/zinc/05/99/88/599059988.db2.gz BWWWOMDNPYRIEH-UHFFFAOYSA-N -1 3 384.393 0.067 20 0 GCADHM O=C(NCC1(O)CCS(=O)(=O)CC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738037252 599059990 /nfs/dbraw/zinc/05/99/90/599059990.db2.gz BWWWOMDNPYRIEH-UHFFFAOYSA-N -1 3 384.393 0.067 20 0 GCADHM CCC(CC)C(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736336584 599066936 /nfs/dbraw/zinc/06/69/36/599066936.db2.gz DGLOORLONHOWBA-INIZCTEOSA-N -1 3 385.472 0.974 20 0 GCADHM CCC(CC)C(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736336584 599066939 /nfs/dbraw/zinc/06/69/39/599066939.db2.gz DGLOORLONHOWBA-INIZCTEOSA-N -1 3 385.472 0.974 20 0 GCADHM O=C(Cn1cc(Br)cn1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737983506 599299538 /nfs/dbraw/zinc/29/95/38/599299538.db2.gz WRTGFJUAVPLUDC-UHFFFAOYSA-N -1 3 396.234 0.767 20 0 GCADHM O=C(Cn1cc(Br)cn1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737983506 599299539 /nfs/dbraw/zinc/29/95/39/599299539.db2.gz WRTGFJUAVPLUDC-UHFFFAOYSA-N -1 3 396.234 0.767 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000737738586 599070687 /nfs/dbraw/zinc/07/06/87/599070687.db2.gz GPDLFOOKIQIVCD-MRXNPFEDSA-N -1 3 393.455 0.810 20 0 GCADHM CC(C)c1nc([C@@H]2CN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)no1 ZINC000735939959 599071971 /nfs/dbraw/zinc/07/19/71/599071971.db2.gz MPCMVTUIAYNTCI-KBPBESRZSA-N -1 3 398.427 0.973 20 0 GCADHM CC(C)c1nc([C@@H]2CN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)no1 ZINC000735939959 599071974 /nfs/dbraw/zinc/07/19/74/599071974.db2.gz MPCMVTUIAYNTCI-KBPBESRZSA-N -1 3 398.427 0.973 20 0 GCADHM CCOC(=O)N(C)C1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736599575 599072089 /nfs/dbraw/zinc/07/20/89/599072089.db2.gz OTDCSYQNDYBLNO-OAHLLOKOSA-N -1 3 387.444 0.946 20 0 GCADHM CCN1CCN(C2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000736569006 599074911 /nfs/dbraw/zinc/07/49/11/599074911.db2.gz HDJWKQUZXDMCJJ-MRXNPFEDSA-N -1 3 398.471 0.615 20 0 GCADHM Cc1ccc(N2CCCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000737353862 599075739 /nfs/dbraw/zinc/07/57/39/599075739.db2.gz XXPFSRLUQGMYGI-KRWDZBQOSA-N -1 3 393.455 0.704 20 0 GCADHM CN([C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736778259 599077674 /nfs/dbraw/zinc/07/76/74/599077674.db2.gz BQNIDCCVEIKAKM-NWDGAFQWSA-N -1 3 397.361 0.488 20 0 GCADHM CN([C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736778259 599077677 /nfs/dbraw/zinc/07/76/77/599077677.db2.gz BQNIDCCVEIKAKM-NWDGAFQWSA-N -1 3 397.361 0.488 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737612064 599087386 /nfs/dbraw/zinc/08/73/86/599087386.db2.gz WRKZRESNMZGYJQ-INIZCTEOSA-N -1 3 394.439 0.845 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737612064 599087388 /nfs/dbraw/zinc/08/73/88/599087388.db2.gz WRKZRESNMZGYJQ-INIZCTEOSA-N -1 3 394.439 0.845 20 0 GCADHM O=C(Cn1cc(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)cn1)NCCO ZINC000823118541 599088732 /nfs/dbraw/zinc/08/87/32/599088732.db2.gz DQEMHVLVNWVLPB-UHFFFAOYSA-N -1 3 397.321 0.329 20 0 GCADHM O=C(Cn1cc(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)cn1)NCCO ZINC000823118541 599088735 /nfs/dbraw/zinc/08/87/35/599088735.db2.gz DQEMHVLVNWVLPB-UHFFFAOYSA-N -1 3 397.321 0.329 20 0 GCADHM CN(C)C(=O)c1cccc(CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736754571 599091590 /nfs/dbraw/zinc/09/15/90/599091590.db2.gz YWWBVBHQCWUGMB-INIZCTEOSA-N -1 3 379.424 0.885 20 0 GCADHM CS(=O)(=O)Nc1cccc(N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737169218 599088935 /nfs/dbraw/zinc/08/89/35/599088935.db2.gz PYGIXCDSQZMFMC-CQSZACIVSA-N -1 3 387.425 0.877 20 0 GCADHM CS(=O)(=O)Nc1cccc(N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737169218 599088938 /nfs/dbraw/zinc/08/89/38/599088938.db2.gz PYGIXCDSQZMFMC-CQSZACIVSA-N -1 3 387.425 0.877 20 0 GCADHM CN(C)C(=O)c1cccc(CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736754571 599091593 /nfs/dbraw/zinc/09/15/93/599091593.db2.gz YWWBVBHQCWUGMB-INIZCTEOSA-N -1 3 379.424 0.885 20 0 GCADHM C[C@@H](N[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1 ZINC000736123821 599093257 /nfs/dbraw/zinc/09/32/57/599093257.db2.gz DYWNWTBLNDVHLJ-WBMJQRKESA-N -1 3 379.424 0.688 20 0 GCADHM C[C@@H](N[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1 ZINC000736123821 599093258 /nfs/dbraw/zinc/09/32/58/599093258.db2.gz DYWNWTBLNDVHLJ-WBMJQRKESA-N -1 3 379.424 0.688 20 0 GCADHM C[C@@H](N[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1 ZINC000736123820 599093506 /nfs/dbraw/zinc/09/35/06/599093506.db2.gz DYWNWTBLNDVHLJ-MLGOLLRUSA-N -1 3 379.424 0.688 20 0 GCADHM C[C@@H](N[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1 ZINC000736123820 599093510 /nfs/dbraw/zinc/09/35/10/599093510.db2.gz DYWNWTBLNDVHLJ-MLGOLLRUSA-N -1 3 379.424 0.688 20 0 GCADHM Cc1cccc(C(=O)NCCN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737383821 599094185 /nfs/dbraw/zinc/09/41/85/599094185.db2.gz CYAPQCYHKTYUAQ-INIZCTEOSA-N -1 3 379.424 0.721 20 0 GCADHM COc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1-n1cnnn1 ZINC000737102075 599094231 /nfs/dbraw/zinc/09/42/31/599094231.db2.gz LVEIKCYBOILBAW-UHFFFAOYSA-N -1 3 393.367 0.869 20 0 GCADHM O=C(NCCCN1C(=O)COc2ccccc21)c1ccc(-c2nnn[n-]2)cn1 ZINC000738066961 599094956 /nfs/dbraw/zinc/09/49/56/599094956.db2.gz VMLANMCXDKKQJZ-UHFFFAOYSA-N -1 3 379.380 0.807 20 0 GCADHM O=C(NCCCN1C(=O)COc2ccccc21)c1ccc(-c2nn[n-]n2)cn1 ZINC000738066961 599094959 /nfs/dbraw/zinc/09/49/59/599094959.db2.gz VMLANMCXDKKQJZ-UHFFFAOYSA-N -1 3 379.380 0.807 20 0 GCADHM NC(=O)[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729689 599096607 /nfs/dbraw/zinc/09/66/07/599096607.db2.gz BMPPJVCYLJUQHE-WMLDXEAASA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729689 599096610 /nfs/dbraw/zinc/09/66/10/599096610.db2.gz BMPPJVCYLJUQHE-WMLDXEAASA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@H](NCCNC(=O)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736707 599096619 /nfs/dbraw/zinc/09/66/19/599096619.db2.gz LENCFODUZVCPBJ-QGZVFWFLSA-N -1 3 397.414 0.481 20 0 GCADHM NC(=O)[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729688 599096760 /nfs/dbraw/zinc/09/67/60/599096760.db2.gz BMPPJVCYLJUQHE-RHSMWYFYSA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729688 599096763 /nfs/dbraw/zinc/09/67/63/599096763.db2.gz BMPPJVCYLJUQHE-RHSMWYFYSA-N -1 3 377.408 0.788 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCc2nn(C)c(=O)cc2C1 ZINC000821650863 599103036 /nfs/dbraw/zinc/10/30/36/599103036.db2.gz ZUHQKNCAHJCYSM-MRXNPFEDSA-N -1 3 381.396 0.233 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2nn(C)c(=O)cc2C1 ZINC000821650863 599103038 /nfs/dbraw/zinc/10/30/38/599103038.db2.gz ZUHQKNCAHJCYSM-MRXNPFEDSA-N -1 3 381.396 0.233 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821568482 599102377 /nfs/dbraw/zinc/10/23/77/599102377.db2.gz WIVRGKLVADAYMJ-INIZCTEOSA-N -1 3 380.412 0.028 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821568482 599102380 /nfs/dbraw/zinc/10/23/80/599102380.db2.gz WIVRGKLVADAYMJ-INIZCTEOSA-N -1 3 380.412 0.028 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@@H](C)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821568138 599102674 /nfs/dbraw/zinc/10/26/74/599102674.db2.gz ISSDAXWUYYEAPU-LBPRGKRZSA-N -1 3 394.439 0.829 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821568138 599102677 /nfs/dbraw/zinc/10/26/77/599102677.db2.gz ISSDAXWUYYEAPU-LBPRGKRZSA-N -1 3 394.439 0.829 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCc2nn(C)c(=O)cc2C1 ZINC000821650862 599102819 /nfs/dbraw/zinc/10/28/19/599102819.db2.gz ZUHQKNCAHJCYSM-INIZCTEOSA-N -1 3 381.396 0.233 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2nn(C)c(=O)cc2C1 ZINC000821650862 599102821 /nfs/dbraw/zinc/10/28/21/599102821.db2.gz ZUHQKNCAHJCYSM-INIZCTEOSA-N -1 3 381.396 0.233 20 0 GCADHM CCn1nc2c(cc1=O)CN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)CC2 ZINC000821568279 599102935 /nfs/dbraw/zinc/10/29/35/599102935.db2.gz OTCJVYLBSZQCJC-UHFFFAOYSA-N -1 3 398.427 0.650 20 0 GCADHM O=C(Cn1cc(NC(=O)c2sccc2-c2nnn[n-]2)cn1)N1CCOCC1 ZINC000738198160 599103274 /nfs/dbraw/zinc/10/32/74/599103274.db2.gz OBDNWEJHDWVISW-UHFFFAOYSA-N -1 3 388.413 0.236 20 0 GCADHM O=C(Cn1cc(NC(=O)c2sccc2-c2nn[n-]n2)cn1)N1CCOCC1 ZINC000738198160 599103276 /nfs/dbraw/zinc/10/32/76/599103276.db2.gz OBDNWEJHDWVISW-UHFFFAOYSA-N -1 3 388.413 0.236 20 0 GCADHM COC[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736977641 599105197 /nfs/dbraw/zinc/10/51/97/599105197.db2.gz ZJASAZIGHFMAAY-JTQLQIEISA-N -1 3 380.792 0.332 20 0 GCADHM COC[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000736977641 599105199 /nfs/dbraw/zinc/10/51/99/599105199.db2.gz ZJASAZIGHFMAAY-JTQLQIEISA-N -1 3 380.792 0.332 20 0 GCADHM COC[C@H]1CN(C(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)CCO1 ZINC000736976727 599105487 /nfs/dbraw/zinc/10/54/87/599105487.db2.gz PQVAHINMYOKCMB-CQSZACIVSA-N -1 3 391.428 0.908 20 0 GCADHM COC[C@H]1CN(C(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)CCO1 ZINC000736976727 599105489 /nfs/dbraw/zinc/10/54/89/599105489.db2.gz PQVAHINMYOKCMB-CQSZACIVSA-N -1 3 391.428 0.908 20 0 GCADHM COc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1-n1cnnn1 ZINC000737101713 599107302 /nfs/dbraw/zinc/10/73/02/599107302.db2.gz JROCRFJZXFWKRD-UHFFFAOYSA-N -1 3 392.383 0.902 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737768949 599110064 /nfs/dbraw/zinc/11/00/64/599110064.db2.gz BRBBVGSGFRJGNS-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737768949 599110066 /nfs/dbraw/zinc/11/00/66/599110066.db2.gz BRBBVGSGFRJGNS-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NC(=O)[C@@H](OC(=O)COc1ccccc1C=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738412 599114151 /nfs/dbraw/zinc/11/41/51/599114151.db2.gz VAFLVTCFTSQALZ-INIZCTEOSA-N -1 3 381.348 0.828 20 0 GCADHM NC(=O)[C@@H](OC(=O)COc1ccccc1C=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738412 599114154 /nfs/dbraw/zinc/11/41/54/599114154.db2.gz VAFLVTCFTSQALZ-INIZCTEOSA-N -1 3 381.348 0.828 20 0 GCADHM NC(=O)NCc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737754056 599117455 /nfs/dbraw/zinc/11/74/55/599117455.db2.gz BWEULCJSVCTTSL-AWEZNQCLSA-N -1 3 395.379 0.418 20 0 GCADHM NC(=O)NCc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737754056 599117458 /nfs/dbraw/zinc/11/74/58/599117458.db2.gz BWEULCJSVCTTSL-AWEZNQCLSA-N -1 3 395.379 0.418 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737598 599118737 /nfs/dbraw/zinc/11/87/37/599118737.db2.gz ATBMDHGPNGEIPY-AWEZNQCLSA-N -1 3 391.347 0.899 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1n[nH]c(=O)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737598 599118740 /nfs/dbraw/zinc/11/87/40/599118740.db2.gz ATBMDHGPNGEIPY-AWEZNQCLSA-N -1 3 391.347 0.899 20 0 GCADHM CCOCCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821378948 599119192 /nfs/dbraw/zinc/11/91/92/599119192.db2.gz XZCJFNRBENNKES-JTQLQIEISA-N -1 3 385.421 0.711 20 0 GCADHM CCOCCCNC(=O)[C@H](C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821378948 599119193 /nfs/dbraw/zinc/11/91/93/599119193.db2.gz XZCJFNRBENNKES-JTQLQIEISA-N -1 3 385.421 0.711 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cnc2sccn2c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738116 599119765 /nfs/dbraw/zinc/11/97/65/599119765.db2.gz DOPKNVHXOFZBHX-LLVKDONJSA-N -1 3 397.376 0.320 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cnc2sccn2c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738116 599119768 /nfs/dbraw/zinc/11/97/68/599119768.db2.gz DOPKNVHXOFZBHX-LLVKDONJSA-N -1 3 397.376 0.320 20 0 GCADHM O=C(CS(=O)(=O)C[C@@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823054963 599120097 /nfs/dbraw/zinc/12/00/97/599120097.db2.gz HZZUTSYVCGDLJG-OAHLLOKOSA-N -1 3 387.421 0.954 20 0 GCADHM O=C(CS(=O)(=O)C[C@H](O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823054962 599120189 /nfs/dbraw/zinc/12/01/89/599120189.db2.gz HZZUTSYVCGDLJG-HNNXBMFYSA-N -1 3 387.421 0.954 20 0 GCADHM Cc1cc2nc(C)cc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)n2n1 ZINC000737238014 599122947 /nfs/dbraw/zinc/12/29/47/599122947.db2.gz GXEUTHXACSGJCS-OAHLLOKOSA-N -1 3 392.379 0.910 20 0 GCADHM Cc1cc2nc(C)cc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)n2n1 ZINC000737238014 599122949 /nfs/dbraw/zinc/12/29/49/599122949.db2.gz GXEUTHXACSGJCS-OAHLLOKOSA-N -1 3 392.379 0.910 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735636466 599123993 /nfs/dbraw/zinc/12/39/93/599123993.db2.gz VXCIILYMZFOPGH-GFCCVEGCSA-N -1 3 376.373 0.461 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735636466 599123995 /nfs/dbraw/zinc/12/39/95/599123995.db2.gz VXCIILYMZFOPGH-GFCCVEGCSA-N -1 3 376.373 0.461 20 0 GCADHM CSCCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737182298 599124499 /nfs/dbraw/zinc/12/44/99/599124499.db2.gz NZVCOAKGQYENIZ-UHFFFAOYSA-N -1 3 382.515 0.926 20 0 GCADHM CSCCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737182298 599124501 /nfs/dbraw/zinc/12/45/01/599124501.db2.gz NZVCOAKGQYENIZ-UHFFFAOYSA-N -1 3 382.515 0.926 20 0 GCADHM C[C@H](OC[C@H]1CCCO1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736164904 599124872 /nfs/dbraw/zinc/12/48/72/599124872.db2.gz QVKNFZLLGAVORL-GDLCADMTSA-N -1 3 375.385 0.520 20 0 GCADHM C[C@H](OC[C@H]1CCCO1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736164904 599124875 /nfs/dbraw/zinc/12/48/75/599124875.db2.gz QVKNFZLLGAVORL-GDLCADMTSA-N -1 3 375.385 0.520 20 0 GCADHM COc1cccc([C@@H](O)C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737125797 599127286 /nfs/dbraw/zinc/12/72/86/599127286.db2.gz DXXQJKUGOBNBED-CABCVRRESA-N -1 3 383.364 0.679 20 0 GCADHM COc1cccc([C@@H](O)C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737125797 599127289 /nfs/dbraw/zinc/12/72/89/599127289.db2.gz DXXQJKUGOBNBED-CABCVRRESA-N -1 3 383.364 0.679 20 0 GCADHM NC(=O)[C@@H](OC(=O)COc1cccc(C=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736703 599130972 /nfs/dbraw/zinc/13/09/72/599130972.db2.gz LDSAKVRNOHEUBM-INIZCTEOSA-N -1 3 381.348 0.828 20 0 GCADHM NC(=O)[C@@H](OC(=O)COc1cccc(C=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736703 599130975 /nfs/dbraw/zinc/13/09/75/599130975.db2.gz LDSAKVRNOHEUBM-INIZCTEOSA-N -1 3 381.348 0.828 20 0 GCADHM COCCc1nnc(S[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)n1N ZINC000821694662 599132428 /nfs/dbraw/zinc/13/24/28/599132428.db2.gz XCLNTKIXEOJZJF-VIFPVBQESA-N -1 3 389.445 0.480 20 0 GCADHM COCCc1nnc(S[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)n1N ZINC000821694662 599132429 /nfs/dbraw/zinc/13/24/29/599132429.db2.gz XCLNTKIXEOJZJF-VIFPVBQESA-N -1 3 389.445 0.480 20 0 GCADHM COCCc1nnc(SCC(=O)Nc2sccc2-c2nnn[n-]2)n1N ZINC000821694647 599132828 /nfs/dbraw/zinc/13/28/28/599132828.db2.gz WLLJUPYOUXDVIZ-UHFFFAOYSA-N -1 3 381.447 0.153 20 0 GCADHM COCCc1nnc(SCC(=O)Nc2sccc2-c2nn[n-]n2)n1N ZINC000821694647 599132830 /nfs/dbraw/zinc/13/28/30/599132830.db2.gz WLLJUPYOUXDVIZ-UHFFFAOYSA-N -1 3 381.447 0.153 20 0 GCADHM CC(C)n1ccc(CC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000820214472 599143377 /nfs/dbraw/zinc/14/33/77/599143377.db2.gz DOHIQDZXUTYBSQ-UHFFFAOYSA-N -1 3 381.444 0.930 20 0 GCADHM CC(C)n1ccc(CC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000820214472 599143378 /nfs/dbraw/zinc/14/33/78/599143378.db2.gz DOHIQDZXUTYBSQ-UHFFFAOYSA-N -1 3 381.444 0.930 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OCC(=O)C1CCCC1 ZINC000737895675 599149514 /nfs/dbraw/zinc/14/95/14/599149514.db2.gz PMRSQVKDFYJBPV-UHFFFAOYSA-N -1 3 393.425 0.448 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OCC(=O)C1CCCC1 ZINC000737895675 599149516 /nfs/dbraw/zinc/14/95/16/599149516.db2.gz PMRSQVKDFYJBPV-UHFFFAOYSA-N -1 3 393.425 0.448 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cn(Cc2ccccn2)nn1 ZINC000823250224 599153980 /nfs/dbraw/zinc/15/39/80/599153980.db2.gz UDHDIEJAPGTLNN-UHFFFAOYSA-N -1 3 379.359 0.971 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cn(Cc2ccccn2)nn1 ZINC000823250224 599153983 /nfs/dbraw/zinc/15/39/83/599153983.db2.gz UDHDIEJAPGTLNN-UHFFFAOYSA-N -1 3 379.359 0.971 20 0 GCADHM CCOC(=O)C[C@@H](C)[S@@](=O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736592248 599155713 /nfs/dbraw/zinc/15/57/13/599155713.db2.gz BFOZEUHXZVLGNW-QYOLQKOISA-N -1 3 379.442 0.573 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737752454 599156635 /nfs/dbraw/zinc/15/66/35/599156635.db2.gz GQZMXVBQPPHELJ-UHFFFAOYSA-N -1 3 396.363 0.066 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737752454 599156638 /nfs/dbraw/zinc/15/66/38/599156638.db2.gz GQZMXVBQPPHELJ-UHFFFAOYSA-N -1 3 396.363 0.066 20 0 GCADHM O=c1n(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)nnn1-c1ccccc1 ZINC000738380121 599162704 /nfs/dbraw/zinc/16/27/04/599162704.db2.gz DWPBPYSVCBJEMC-UHFFFAOYSA-N -1 3 388.351 0.707 20 0 GCADHM O=c1n(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)nnn1-c1ccccc1 ZINC000738380121 599162705 /nfs/dbraw/zinc/16/27/05/599162705.db2.gz DWPBPYSVCBJEMC-UHFFFAOYSA-N -1 3 388.351 0.707 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822991844 599167444 /nfs/dbraw/zinc/16/74/44/599167444.db2.gz HEOIEPYEWZCGHW-BETUJISGSA-N -1 3 386.387 0.797 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822991844 599167447 /nfs/dbraw/zinc/16/74/47/599167447.db2.gz HEOIEPYEWZCGHW-BETUJISGSA-N -1 3 386.387 0.797 20 0 GCADHM Cc1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1S(N)(=O)=O ZINC000822177135 599168976 /nfs/dbraw/zinc/16/89/76/599168976.db2.gz UTSZSQLHCBYJJV-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM Cc1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1S(N)(=O)=O ZINC000822177135 599168979 /nfs/dbraw/zinc/16/89/79/599168979.db2.gz UTSZSQLHCBYJJV-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822009878 599174024 /nfs/dbraw/zinc/17/40/24/599174024.db2.gz GICQVPUQOFHCOS-UHFFFAOYSA-N -1 3 382.359 0.509 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822009878 599174027 /nfs/dbraw/zinc/17/40/27/599174027.db2.gz GICQVPUQOFHCOS-UHFFFAOYSA-N -1 3 382.359 0.509 20 0 GCADHM S=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NCCN1CCOCC1 ZINC000738401764 599174771 /nfs/dbraw/zinc/17/47/71/599174771.db2.gz SXPQTNHVQNLACS-UHFFFAOYSA-N -1 3 377.474 0.042 20 0 GCADHM O=C(COCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)NCc1cccnc1 ZINC000823031748 599180149 /nfs/dbraw/zinc/18/01/49/599180149.db2.gz HXEQESLQKQOZQE-UHFFFAOYSA-N -1 3 399.386 0.350 20 0 GCADHM O=C(COCC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)NCc1cccnc1 ZINC000823031748 599180151 /nfs/dbraw/zinc/18/01/51/599180151.db2.gz HXEQESLQKQOZQE-UHFFFAOYSA-N -1 3 399.386 0.350 20 0 GCADHM Cn1cc([C@H]2CCN([C@H]3CC(=O)N(c4ccc(-c5nn[n-]n5)cc4)C3=O)C2)cn1 ZINC000737604771 599182107 /nfs/dbraw/zinc/18/21/07/599182107.db2.gz KMXDXDIHEZFCCJ-BBRMVZONSA-N -1 3 392.423 0.722 20 0 GCADHM Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000737603903 599183639 /nfs/dbraw/zinc/18/36/39/599183639.db2.gz HCMLYWQTRMYHFI-AWEZNQCLSA-N -1 3 380.412 0.346 20 0 GCADHM Cn1cc([C@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000737603903 599183643 /nfs/dbraw/zinc/18/36/43/599183643.db2.gz HCMLYWQTRMYHFI-AWEZNQCLSA-N -1 3 380.412 0.346 20 0 GCADHM Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000737603904 599183946 /nfs/dbraw/zinc/18/39/46/599183946.db2.gz HCMLYWQTRMYHFI-CQSZACIVSA-N -1 3 380.412 0.346 20 0 GCADHM Cn1cc([C@@H]2CCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000737603904 599183948 /nfs/dbraw/zinc/18/39/48/599183948.db2.gz HCMLYWQTRMYHFI-CQSZACIVSA-N -1 3 380.412 0.346 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822869156 599188539 /nfs/dbraw/zinc/18/85/39/599188539.db2.gz PIMPNYBAWCMLOB-UHFFFAOYSA-N -1 3 380.408 0.980 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822869156 599188541 /nfs/dbraw/zinc/18/85/41/599188541.db2.gz PIMPNYBAWCMLOB-UHFFFAOYSA-N -1 3 380.408 0.980 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822205874 599195989 /nfs/dbraw/zinc/19/59/89/599195989.db2.gz LPQDEFMZKDEOEK-AWEZNQCLSA-N -1 3 380.412 0.373 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822205874 599195991 /nfs/dbraw/zinc/19/59/91/599195991.db2.gz LPQDEFMZKDEOEK-AWEZNQCLSA-N -1 3 380.412 0.373 20 0 GCADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735875004 599194709 /nfs/dbraw/zinc/19/47/09/599194709.db2.gz XSNXMPSUDCCHNO-UHFFFAOYSA-N -1 3 383.412 0.315 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735875004 599194711 /nfs/dbraw/zinc/19/47/11/599194711.db2.gz XSNXMPSUDCCHNO-UHFFFAOYSA-N -1 3 383.412 0.315 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000737166526 599204515 /nfs/dbraw/zinc/20/45/15/599204515.db2.gz RMHJFUYFGAHMJR-AWEZNQCLSA-N -1 3 388.457 0.311 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000737166526 599204517 /nfs/dbraw/zinc/20/45/17/599204517.db2.gz RMHJFUYFGAHMJR-AWEZNQCLSA-N -1 3 388.457 0.311 20 0 GCADHM COCCN(C(=O)CS(=O)(=O)CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988327 599205912 /nfs/dbraw/zinc/20/59/12/599205912.db2.gz KKBCUPSXDQSDIX-UHFFFAOYSA-N -1 3 381.458 0.917 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000820666792 599206309 /nfs/dbraw/zinc/20/63/09/599206309.db2.gz KECKWYYNZQYWQV-QCPWZWHMSA-N -1 3 395.467 0.961 20 0 GCADHM COCCN(C(=O)[C@H]1CSCN1C(C)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989963 599202431 /nfs/dbraw/zinc/20/24/31/599202431.db2.gz XUHFXEAKABYJKS-CQSZACIVSA-N -1 3 376.442 0.768 20 0 GCADHM COCCN(C(=O)[C@H]1CSCN1C(C)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989963 599202434 /nfs/dbraw/zinc/20/24/34/599202434.db2.gz XUHFXEAKABYJKS-CQSZACIVSA-N -1 3 376.442 0.768 20 0 GCADHM CC(C)[C@@]1(C)CC(=O)N(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1=O ZINC000735746902 599203328 /nfs/dbraw/zinc/20/33/28/599203328.db2.gz LXCYZQXBIYHETJ-LJQANCHMSA-N -1 3 398.471 0.762 20 0 GCADHM CC(C)[C@@]1(C)CC(=O)N(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1=O ZINC000735746902 599203330 /nfs/dbraw/zinc/20/33/30/599203330.db2.gz LXCYZQXBIYHETJ-LJQANCHMSA-N -1 3 398.471 0.762 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820655442 599208169 /nfs/dbraw/zinc/20/81/69/599208169.db2.gz BAJDNKWLRNOGCH-KRDNCVPESA-N -1 3 392.423 0.924 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820655442 599208172 /nfs/dbraw/zinc/20/81/72/599208172.db2.gz BAJDNKWLRNOGCH-KRDNCVPESA-N -1 3 392.423 0.924 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1CC ZINC000736623868 599210000 /nfs/dbraw/zinc/21/00/00/599210000.db2.gz NSRMBWTXOJVRMP-OAHLLOKOSA-N -1 3 394.501 0.988 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1CC ZINC000736623868 599210002 /nfs/dbraw/zinc/21/00/02/599210002.db2.gz NSRMBWTXOJVRMP-OAHLLOKOSA-N -1 3 394.501 0.988 20 0 GCADHM CC(C)(C)[S@](=O)CCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735642570 599210064 /nfs/dbraw/zinc/21/00/64/599210064.db2.gz DCNNUXXJRBPFHT-HSZRJFAPSA-N -1 3 375.451 0.831 20 0 GCADHM CC(C)(C)[S@](=O)CCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735642570 599210067 /nfs/dbraw/zinc/21/00/67/599210067.db2.gz DCNNUXXJRBPFHT-HSZRJFAPSA-N -1 3 375.451 0.831 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1CC ZINC000736623400 599210250 /nfs/dbraw/zinc/21/02/50/599210250.db2.gz GRPFEJMRVASICS-OAHLLOKOSA-N -1 3 394.501 0.988 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1CC ZINC000736623400 599210252 /nfs/dbraw/zinc/21/02/52/599210252.db2.gz GRPFEJMRVASICS-OAHLLOKOSA-N -1 3 394.501 0.988 20 0 GCADHM COCCOC1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737007235 599210449 /nfs/dbraw/zinc/21/04/49/599210449.db2.gz XSKJLLFZLCYPFR-UHFFFAOYSA-N -1 3 381.458 0.824 20 0 GCADHM COCCOC1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737007235 599210451 /nfs/dbraw/zinc/21/04/51/599210451.db2.gz XSKJLLFZLCYPFR-UHFFFAOYSA-N -1 3 381.458 0.824 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)COc2ccccc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820656402 599211425 /nfs/dbraw/zinc/21/14/25/599211425.db2.gz FDNNSHHKUWPBFH-RISCZKNCSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)COc2ccccc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820656402 599211427 /nfs/dbraw/zinc/21/14/27/599211427.db2.gz FDNNSHHKUWPBFH-RISCZKNCSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820658320 599211435 /nfs/dbraw/zinc/21/14/35/599211435.db2.gz RNARCUYAAYXYRV-IAQYHMDHSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820658320 599211436 /nfs/dbraw/zinc/21/14/36/599211436.db2.gz RNARCUYAAYXYRV-IAQYHMDHSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820656823 599211558 /nfs/dbraw/zinc/21/15/58/599211558.db2.gz HNGJJZVSGIQJKI-ABAIWWIYSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)COc2ccccc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820656399 599211570 /nfs/dbraw/zinc/21/15/70/599211570.db2.gz FDNNSHHKUWPBFH-BXUZGUMPSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)COc2ccccc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820656399 599211572 /nfs/dbraw/zinc/21/15/72/599211572.db2.gz FDNNSHHKUWPBFH-BXUZGUMPSA-N -1 3 396.411 0.289 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000822431905 599216949 /nfs/dbraw/zinc/21/69/49/599216949.db2.gz OLVLXCBSPWKKLG-MRXNPFEDSA-N -1 3 382.428 0.545 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000822431905 599216952 /nfs/dbraw/zinc/21/69/52/599216952.db2.gz OLVLXCBSPWKKLG-MRXNPFEDSA-N -1 3 382.428 0.545 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000822431904 599217039 /nfs/dbraw/zinc/21/70/39/599217039.db2.gz OLVLXCBSPWKKLG-INIZCTEOSA-N -1 3 382.428 0.545 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000822431904 599217041 /nfs/dbraw/zinc/21/70/41/599217041.db2.gz OLVLXCBSPWKKLG-INIZCTEOSA-N -1 3 382.428 0.545 20 0 GCADHM NC(=O)[C@H](OC(=O)CCCn1ccccc1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736927 599217895 /nfs/dbraw/zinc/21/78/95/599217895.db2.gz NCKZVGWZWVIWGP-MRXNPFEDSA-N -1 3 382.380 0.578 20 0 GCADHM NC(=O)[C@H](OC(=O)CCCn1ccccc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736927 599217896 /nfs/dbraw/zinc/21/78/96/599217896.db2.gz NCKZVGWZWVIWGP-MRXNPFEDSA-N -1 3 382.380 0.578 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000737286928 599218991 /nfs/dbraw/zinc/21/89/91/599218991.db2.gz AFWCFRAEUQBYEX-SANMLTNESA-N -1 3 378.458 0.777 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000737286928 599218993 /nfs/dbraw/zinc/21/89/93/599218993.db2.gz AFWCFRAEUQBYEX-SANMLTNESA-N -1 3 378.458 0.777 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000737286926 599219156 /nfs/dbraw/zinc/21/91/56/599219156.db2.gz AFWCFRAEUQBYEX-AREMUKBSSA-N -1 3 378.458 0.777 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000737286926 599219158 /nfs/dbraw/zinc/21/91/58/599219158.db2.gz AFWCFRAEUQBYEX-AREMUKBSSA-N -1 3 378.458 0.777 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737876072 599219607 /nfs/dbraw/zinc/21/96/07/599219607.db2.gz DJWOOSMWCFFSJM-UHFFFAOYSA-N -1 3 399.411 0.226 20 0 GCADHM Cc1cc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1-n1cnnn1 ZINC000737236926 599220683 /nfs/dbraw/zinc/22/06/83/599220683.db2.gz UYRMMFRXCDFQHV-UHFFFAOYSA-N -1 3 391.395 0.960 20 0 GCADHM COC(=O)CCN(C(=O)COc1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000821661536 599220846 /nfs/dbraw/zinc/22/08/46/599220846.db2.gz NJDDDVHRIDMAII-UHFFFAOYSA-N -1 3 389.412 0.816 20 0 GCADHM COC(=O)CCN(C(=O)COc1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000821661536 599220848 /nfs/dbraw/zinc/22/08/48/599220848.db2.gz NJDDDVHRIDMAII-UHFFFAOYSA-N -1 3 389.412 0.816 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000532675543 596902050 /nfs/dbraw/zinc/90/20/50/596902050.db2.gz QVEFNNINXQXZCH-HNNXBMFYSA-N -1 3 397.497 0.562 20 0 GCADHM NC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CC1 ZINC000822860612 607259914 /nfs/dbraw/zinc/25/99/14/607259914.db2.gz ZIEUAKINRPUNEC-UHFFFAOYSA-N -1 3 376.320 0.182 20 0 GCADHM NC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000822860612 607259915 /nfs/dbraw/zinc/25/99/15/607259915.db2.gz ZIEUAKINRPUNEC-UHFFFAOYSA-N -1 3 376.320 0.182 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccc(Br)s1 ZINC000739607694 596909121 /nfs/dbraw/zinc/90/91/21/596909121.db2.gz YPDNKUCQEFGFNI-UHFFFAOYSA-N -1 3 392.275 0.715 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821688185 607261345 /nfs/dbraw/zinc/26/13/45/607261345.db2.gz BFFHKJUNPRLOOS-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821688185 607261346 /nfs/dbraw/zinc/26/13/46/607261346.db2.gz BFFHKJUNPRLOOS-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821688676 607261602 /nfs/dbraw/zinc/26/16/02/607261602.db2.gz UYHFGSYZSFZERU-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821688676 607261603 /nfs/dbraw/zinc/26/16/03/607261603.db2.gz UYHFGSYZSFZERU-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM Cc1nnc(Nc2ccn(CC(=O)N3CCOCC3)n2)c(-c2nnn[n-]2)c1C ZINC000737534718 599231925 /nfs/dbraw/zinc/23/19/25/599231925.db2.gz VOMJXYVYIFWHNI-UHFFFAOYSA-N -1 3 384.404 0.072 20 0 GCADHM Cc1nnc(Nc2ccn(CC(=O)N3CCOCC3)n2)c(-c2nn[n-]n2)c1C ZINC000737534718 599231928 /nfs/dbraw/zinc/23/19/28/599231928.db2.gz VOMJXYVYIFWHNI-UHFFFAOYSA-N -1 3 384.404 0.072 20 0 GCADHM CCN1CCN(CCCNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000739455656 596958570 /nfs/dbraw/zinc/95/85/70/596958570.db2.gz FIMJHHSSYPJQCN-SFHVURJKSA-N -1 3 387.484 0.850 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)c3ncc(-c4nnn[n-]4)cc3Cl)C2=O)cn1 ZINC000822679323 607264265 /nfs/dbraw/zinc/26/42/65/607264265.db2.gz AUNRSKUZHFOMQB-LLVKDONJSA-N -1 3 387.791 0.184 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)c3ncc(-c4nn[n-]n4)cc3Cl)C2=O)cn1 ZINC000822679323 607264266 /nfs/dbraw/zinc/26/42/66/607264266.db2.gz AUNRSKUZHFOMQB-LLVKDONJSA-N -1 3 387.791 0.184 20 0 GCADHM CNc1nc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)nc(N2CC[C@H](C(=O)[O-])C2)n1 ZINC000818500647 596981468 /nfs/dbraw/zinc/98/14/68/596981468.db2.gz WEOSVKKYQFPHTR-NWDGAFQWSA-N -1 3 392.460 0.414 20 0 GCADHM CNC(=O)Cn1cnc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736878952 599229037 /nfs/dbraw/zinc/22/90/37/599229037.db2.gz LQHVPDCYPKEYKC-UHFFFAOYSA-N -1 3 387.429 0.076 20 0 GCADHM CNC(=O)Cn1cnc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736878952 599229038 /nfs/dbraw/zinc/22/90/38/599229038.db2.gz LQHVPDCYPKEYKC-UHFFFAOYSA-N -1 3 387.429 0.076 20 0 GCADHM Cc1cc(CS(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)no1 ZINC000737262060 599236452 /nfs/dbraw/zinc/23/64/52/599236452.db2.gz BXJRRISUNBZXAW-UHFFFAOYSA-N -1 3 390.429 0.210 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2C[C@H]3OCCN(C)[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822542582 607265821 /nfs/dbraw/zinc/26/58/21/607265821.db2.gz ZWIGKKOPGLMITN-WCFLWFBJSA-N -1 3 375.433 0.418 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2C[C@H]3OCCN(C)[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822542582 607265822 /nfs/dbraw/zinc/26/58/22/607265822.db2.gz ZWIGKKOPGLMITN-WCFLWFBJSA-N -1 3 375.433 0.418 20 0 GCADHM Cc1cc(CS(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)no1 ZINC000737262060 599236454 /nfs/dbraw/zinc/23/64/54/599236454.db2.gz BXJRRISUNBZXAW-UHFFFAOYSA-N -1 3 390.429 0.210 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc2c(c1)C(=O)NCC2 ZINC000737890875 599240561 /nfs/dbraw/zinc/24/05/61/599240561.db2.gz ZXMMXVWVEIXNEP-UHFFFAOYSA-N -1 3 391.391 0.521 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(c1)C(=O)NCC2 ZINC000737890875 599240562 /nfs/dbraw/zinc/24/05/62/599240562.db2.gz ZXMMXVWVEIXNEP-UHFFFAOYSA-N -1 3 391.391 0.521 20 0 GCADHM COCCOC[C@H](C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737004803 599241095 /nfs/dbraw/zinc/24/10/95/599241095.db2.gz ATSQYKUSQNLOLT-NSHDSACASA-N -1 3 386.416 0.416 20 0 GCADHM COCCOC[C@H](C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737004803 599241097 /nfs/dbraw/zinc/24/10/97/599241097.db2.gz ATSQYKUSQNLOLT-NSHDSACASA-N -1 3 386.416 0.416 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2ccc(N(C)C)nc2)cccc1-c1nnn[n-]1 ZINC000822060424 607272512 /nfs/dbraw/zinc/27/25/12/607272512.db2.gz HALQURHXQNOFBU-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2ccc(N(C)C)nc2)cccc1-c1nn[n-]n1 ZINC000822060424 607272513 /nfs/dbraw/zinc/27/25/13/607272513.db2.gz HALQURHXQNOFBU-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM COC(=O)c1csc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821671472 607272086 /nfs/dbraw/zinc/27/20/86/607272086.db2.gz XKQJJSFGMJKQQO-UHFFFAOYSA-N -1 3 386.393 0.970 20 0 GCADHM COC(=O)c1csc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821671472 607272087 /nfs/dbraw/zinc/27/20/87/607272087.db2.gz XKQJJSFGMJKQQO-UHFFFAOYSA-N -1 3 386.393 0.970 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCNC(=O)C[C@@H]1C ZINC000737031703 599243808 /nfs/dbraw/zinc/24/38/08/599243808.db2.gz BWIVUHJAXXBBDU-LBPRGKRZSA-N -1 3 388.428 0.771 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCNC(=O)C[C@@H]1C ZINC000737031703 599243811 /nfs/dbraw/zinc/24/38/11/599243811.db2.gz BWIVUHJAXXBBDU-LBPRGKRZSA-N -1 3 388.428 0.771 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCNC(=O)C[C@H]1C ZINC000737031701 599244021 /nfs/dbraw/zinc/24/40/21/599244021.db2.gz BWIVUHJAXXBBDU-GFCCVEGCSA-N -1 3 388.428 0.771 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCNC(=O)C[C@H]1C ZINC000737031701 599244023 /nfs/dbraw/zinc/24/40/23/599244023.db2.gz BWIVUHJAXXBBDU-GFCCVEGCSA-N -1 3 388.428 0.771 20 0 GCADHM Cc1c(NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000822035421 607275978 /nfs/dbraw/zinc/27/59/78/607275978.db2.gz UVJALTZGRNOOEF-SECBINFHSA-N -1 3 380.430 0.005 20 0 GCADHM Cc1c(NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000822035421 607275979 /nfs/dbraw/zinc/27/59/79/607275979.db2.gz UVJALTZGRNOOEF-SECBINFHSA-N -1 3 380.430 0.005 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C[C@H]1C ZINC000821691373 607276371 /nfs/dbraw/zinc/27/63/71/607276371.db2.gz RUQMTDYBIHRFKT-GFCCVEGCSA-N -1 3 387.444 0.293 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C[C@H]1C ZINC000821691373 607276372 /nfs/dbraw/zinc/27/63/72/607276372.db2.gz RUQMTDYBIHRFKT-GFCCVEGCSA-N -1 3 387.444 0.293 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000736183129 599244858 /nfs/dbraw/zinc/24/48/58/599244858.db2.gz RKMIQZGGAOJJMN-HUUCEWRRSA-N -1 3 386.456 0.815 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822043473 607276922 /nfs/dbraw/zinc/27/69/22/607276922.db2.gz FHIJBKFZGPWMJM-XEUAEHQWSA-N -1 3 376.442 0.482 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822043473 607276923 /nfs/dbraw/zinc/27/69/23/607276923.db2.gz FHIJBKFZGPWMJM-XEUAEHQWSA-N -1 3 376.442 0.482 20 0 GCADHM CCOC(=O)C1(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCC1 ZINC000821321437 607277383 /nfs/dbraw/zinc/27/73/83/607277383.db2.gz WXSAJWMBUDEFSI-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM CCOC(=O)C1(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCC1 ZINC000821321437 607277384 /nfs/dbraw/zinc/27/73/84/607277384.db2.gz WXSAJWMBUDEFSI-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737758564 599245453 /nfs/dbraw/zinc/24/54/53/599245453.db2.gz NEJQZDWMPNLFJX-INIZCTEOSA-N -1 3 395.423 0.641 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cccc1-c1nnn[n-]1 ZINC000822044162 607278206 /nfs/dbraw/zinc/27/82/06/607278206.db2.gz IFULRBOIRFMEAA-CYBMUJFWSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)cccc1-c1nn[n-]n1 ZINC000822044162 607278207 /nfs/dbraw/zinc/27/82/07/607278207.db2.gz IFULRBOIRFMEAA-CYBMUJFWSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](CO)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822044644 607278212 /nfs/dbraw/zinc/27/82/12/607278212.db2.gz LOAHIEQXXNIDNM-AWEZNQCLSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](CO)Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822044644 607278213 /nfs/dbraw/zinc/27/82/13/607278213.db2.gz LOAHIEQXXNIDNM-AWEZNQCLSA-N -1 3 380.408 0.833 20 0 GCADHM O=C(CNC(=O)COc1ccccc1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737889894 599246048 /nfs/dbraw/zinc/24/60/48/599246048.db2.gz TVMWWNINXRUVEK-UHFFFAOYSA-N -1 3 396.407 0.557 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2nnc3n2CCCCC3)cccc1-c1nnn[n-]1 ZINC000822061568 607272669 /nfs/dbraw/zinc/27/26/69/607272669.db2.gz QOVMDIAFJAWZLR-UHFFFAOYSA-N -1 3 395.427 0.748 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2nnc3n2CCCCC3)cccc1-c1nn[n-]n1 ZINC000822061568 607272670 /nfs/dbraw/zinc/27/26/70/607272670.db2.gz QOVMDIAFJAWZLR-UHFFFAOYSA-N -1 3 395.427 0.748 20 0 GCADHM COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821783122 607272979 /nfs/dbraw/zinc/27/29/79/607272979.db2.gz XBOVVMQEFQLGMT-INIZCTEOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821783122 607272980 /nfs/dbraw/zinc/27/29/80/607272980.db2.gz XBOVVMQEFQLGMT-INIZCTEOSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](c3nncn3C)C2)cccc1-c1nnn[n-]1 ZINC000822045121 607273713 /nfs/dbraw/zinc/27/37/13/607273713.db2.gz OWGMZCMPGUPSDP-LBPRGKRZSA-N -1 3 395.427 0.648 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](c3nncn3C)C2)cccc1-c1nn[n-]n1 ZINC000822045121 607273714 /nfs/dbraw/zinc/27/37/14/607273714.db2.gz OWGMZCMPGUPSDP-LBPRGKRZSA-N -1 3 395.427 0.648 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000822043700 607273749 /nfs/dbraw/zinc/27/37/49/607273749.db2.gz GLBVXPBJZPWZLN-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cccc1-c1nn[n-]n1 ZINC000822043700 607273750 /nfs/dbraw/zinc/27/37/50/607273750.db2.gz GLBVXPBJZPWZLN-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(c3nncn3C)CC2)cccc1-c1nnn[n-]1 ZINC000822045464 607273785 /nfs/dbraw/zinc/27/37/85/607273785.db2.gz RQJCBCHUSYVQKE-UHFFFAOYSA-N -1 3 395.427 0.648 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(c3nncn3C)CC2)cccc1-c1nn[n-]n1 ZINC000822045464 607273786 /nfs/dbraw/zinc/27/37/86/607273786.db2.gz RQJCBCHUSYVQKE-UHFFFAOYSA-N -1 3 395.427 0.648 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(NC(=O)C3CC3)CC2)cccc1-c1nnn[n-]1 ZINC000822045435 607273794 /nfs/dbraw/zinc/27/37/94/607273794.db2.gz RFEGXQYUIXPSDL-UHFFFAOYSA-N -1 3 397.439 0.631 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(NC(=O)C3CC3)CC2)cccc1-c1nn[n-]n1 ZINC000822045435 607273795 /nfs/dbraw/zinc/27/37/95/607273795.db2.gz RFEGXQYUIXPSDL-UHFFFAOYSA-N -1 3 397.439 0.631 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=S)Nc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609349 599247231 /nfs/dbraw/zinc/24/72/31/599247231.db2.gz FEDOMAVZMSTGIH-CYBMUJFWSA-N -1 3 383.441 0.692 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=S)Nc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609349 599247233 /nfs/dbraw/zinc/24/72/33/599247233.db2.gz FEDOMAVZMSTGIH-CYBMUJFWSA-N -1 3 383.441 0.692 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736187420 599248159 /nfs/dbraw/zinc/24/81/59/599248159.db2.gz AIFVKAYIBAXBCY-CYBMUJFWSA-N -1 3 380.412 0.773 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736187420 599248162 /nfs/dbraw/zinc/24/81/62/599248162.db2.gz AIFVKAYIBAXBCY-CYBMUJFWSA-N -1 3 380.412 0.773 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)C(=O)NCc2ccco2)cccc1-c1nnn[n-]1 ZINC000822044238 607274389 /nfs/dbraw/zinc/27/43/89/607274389.db2.gz JGSLJTFHXFKLPX-LLVKDONJSA-N -1 3 397.395 0.528 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)C(=O)NCc2ccco2)cccc1-c1nn[n-]n1 ZINC000822044238 607274390 /nfs/dbraw/zinc/27/43/90/607274390.db2.gz JGSLJTFHXFKLPX-LLVKDONJSA-N -1 3 397.395 0.528 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822045981 607278553 /nfs/dbraw/zinc/27/85/53/607278553.db2.gz VXMFUADANDMZRK-VXGBXAGGSA-N -1 3 387.444 0.027 20 0 GCADHM COc1ccc(CN2C[C@H](C(=O)Nc3ccncc3-c3nnn[n-]3)CC2=O)cc1 ZINC000737091071 599248901 /nfs/dbraw/zinc/24/89/01/599248901.db2.gz PEWHHPDMGGODED-CYBMUJFWSA-N -1 3 393.407 0.679 20 0 GCADHM COc1ccc(CN2C[C@H](C(=O)Nc3ccncc3-c3nn[n-]n3)CC2=O)cc1 ZINC000737091071 599248902 /nfs/dbraw/zinc/24/89/02/599248902.db2.gz PEWHHPDMGGODED-CYBMUJFWSA-N -1 3 393.407 0.679 20 0 GCADHM CC(=O)NC1CCC(NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000819803214 607274990 /nfs/dbraw/zinc/27/49/90/607274990.db2.gz LLHWBHXHGFWKMC-UHFFFAOYSA-N -1 3 385.428 0.677 20 0 GCADHM CC(=O)NC1CCC(NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000819803214 607274991 /nfs/dbraw/zinc/27/49/91/607274991.db2.gz LLHWBHXHGFWKMC-UHFFFAOYSA-N -1 3 385.428 0.677 20 0 GCADHM O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccncc1-c1nnn[n-]1 ZINC000737850177 599250502 /nfs/dbraw/zinc/25/05/02/599250502.db2.gz LMYSUINEQPEBAM-UHFFFAOYSA-N -1 3 376.373 0.625 20 0 GCADHM O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccncc1-c1nn[n-]n1 ZINC000737850177 599250504 /nfs/dbraw/zinc/25/05/04/599250504.db2.gz LMYSUINEQPEBAM-UHFFFAOYSA-N -1 3 376.373 0.625 20 0 GCADHM CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)s1 ZINC000737169213 599250753 /nfs/dbraw/zinc/25/07/53/599250753.db2.gz PXPJZVGYJGUEQR-UHFFFAOYSA-N -1 3 393.454 0.089 20 0 GCADHM CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)s1 ZINC000737169213 599250754 /nfs/dbraw/zinc/25/07/54/599250754.db2.gz PXPJZVGYJGUEQR-UHFFFAOYSA-N -1 3 393.454 0.089 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821284159 607279598 /nfs/dbraw/zinc/27/95/98/607279598.db2.gz CAFWVKXLZGVBKJ-LLVKDONJSA-N -1 3 386.416 0.034 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821284159 607279599 /nfs/dbraw/zinc/27/95/99/607279599.db2.gz CAFWVKXLZGVBKJ-LLVKDONJSA-N -1 3 386.416 0.034 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822462650 607279637 /nfs/dbraw/zinc/27/96/37/607279637.db2.gz KMPYQODRKOHNKM-ZDUSSCGKSA-N -1 3 381.400 0.665 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822462650 607279638 /nfs/dbraw/zinc/27/96/38/607279638.db2.gz KMPYQODRKOHNKM-ZDUSSCGKSA-N -1 3 381.400 0.665 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000738196384 599253193 /nfs/dbraw/zinc/25/31/93/599253193.db2.gz XFZCIKWIYGHXKO-UHFFFAOYSA-N -1 3 378.327 0.621 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000738196384 599253195 /nfs/dbraw/zinc/25/31/95/599253195.db2.gz XFZCIKWIYGHXKO-UHFFFAOYSA-N -1 3 378.327 0.621 20 0 GCADHM Cc1c(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cccc1-c1nnn[n-]1 ZINC000822084971 607289210 /nfs/dbraw/zinc/28/92/10/607289210.db2.gz UPHZYLHADKPNEF-UHFFFAOYSA-N -1 3 398.427 0.130 20 0 GCADHM Cc1c(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cccc1-c1nn[n-]n1 ZINC000822084971 607289211 /nfs/dbraw/zinc/28/92/11/607289211.db2.gz UPHZYLHADKPNEF-UHFFFAOYSA-N -1 3 398.427 0.130 20 0 GCADHM CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccncc3-c3nnn[n-]3)ccc21 ZINC000737166505 599256388 /nfs/dbraw/zinc/25/63/88/599256388.db2.gz RKHVLZTZJFFICE-UHFFFAOYSA-N -1 3 399.436 0.648 20 0 GCADHM CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ccncc3-c3nn[n-]n3)ccc21 ZINC000737166505 599256391 /nfs/dbraw/zinc/25/63/91/599256391.db2.gz RKHVLZTZJFFICE-UHFFFAOYSA-N -1 3 399.436 0.648 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821636045 607289625 /nfs/dbraw/zinc/28/96/25/607289625.db2.gz CMJZQPRDWIOQIZ-NSHDSACASA-N -1 3 379.446 0.721 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821636045 607289626 /nfs/dbraw/zinc/28/96/26/607289626.db2.gz CMJZQPRDWIOQIZ-NSHDSACASA-N -1 3 379.446 0.721 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736167349 599258575 /nfs/dbraw/zinc/25/85/75/599258575.db2.gz FHXAJNQYEQPUSZ-ABAIWWIYSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)[C@@H]1CN(C)CCO1 ZINC000820317012 607293159 /nfs/dbraw/zinc/29/31/59/607293159.db2.gz ZLPMBPVOCYOANR-ZANVPECISA-N -1 3 393.835 0.294 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000735734598 599258911 /nfs/dbraw/zinc/25/89/11/599258911.db2.gz HJTHEJCXOUMESM-INIZCTEOSA-N -1 3 398.427 0.981 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000735734598 599258912 /nfs/dbraw/zinc/25/89/12/599258912.db2.gz HJTHEJCXOUMESM-INIZCTEOSA-N -1 3 398.427 0.981 20 0 GCADHM NC(=O)C1(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000822859925 607294347 /nfs/dbraw/zinc/29/43/47/607294347.db2.gz KDCCMADIQRQEDC-UHFFFAOYSA-N -1 3 388.428 0.567 20 0 GCADHM NC(=O)C1(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000822859925 607294348 /nfs/dbraw/zinc/29/43/48/607294348.db2.gz KDCCMADIQRQEDC-UHFFFAOYSA-N -1 3 388.428 0.567 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737611368 599260487 /nfs/dbraw/zinc/26/04/87/599260487.db2.gz VWFXFPNYZPCZSL-HNNXBMFYSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737611368 599260489 /nfs/dbraw/zinc/26/04/89/599260489.db2.gz VWFXFPNYZPCZSL-HNNXBMFYSA-N -1 3 380.412 0.455 20 0 GCADHM CCNC(=O)CN(CC)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821284081 607299936 /nfs/dbraw/zinc/29/99/36/607299936.db2.gz ANCKEULCNRUWFH-UHFFFAOYSA-N -1 3 387.444 0.960 20 0 GCADHM CCNC(=O)CN(CC)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821284081 607299937 /nfs/dbraw/zinc/29/99/37/607299937.db2.gz ANCKEULCNRUWFH-UHFFFAOYSA-N -1 3 387.444 0.960 20 0 GCADHM O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823170889 607300119 /nfs/dbraw/zinc/30/01/19/607300119.db2.gz LBXZHYVCDXTSST-LLVKDONJSA-N -1 3 393.860 0.956 20 0 GCADHM O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823170889 607300120 /nfs/dbraw/zinc/30/01/20/607300120.db2.gz LBXZHYVCDXTSST-LLVKDONJSA-N -1 3 393.860 0.956 20 0 GCADHM COc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1OCC(N)=O ZINC000821835027 607309045 /nfs/dbraw/zinc/30/90/45/607309045.db2.gz BJTCXEJYPQIUJE-JTQLQIEISA-N -1 3 399.415 0.090 20 0 GCADHM COc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1OCC(N)=O ZINC000821835027 607309046 /nfs/dbraw/zinc/30/90/46/607309046.db2.gz BJTCXEJYPQIUJE-JTQLQIEISA-N -1 3 399.415 0.090 20 0 GCADHM Cc1c(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cccc1C(=O)NCCO ZINC000822123216 607310037 /nfs/dbraw/zinc/31/00/37/607310037.db2.gz VWIPLXFEQADEKO-LBPRGKRZSA-N -1 3 397.443 0.248 20 0 GCADHM Cc1c(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cccc1C(=O)NCCO ZINC000822123216 607310038 /nfs/dbraw/zinc/31/00/38/607310038.db2.gz VWIPLXFEQADEKO-LBPRGKRZSA-N -1 3 397.443 0.248 20 0 GCADHM O=C1CNC(=O)N1c1cccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000823540467 607310380 /nfs/dbraw/zinc/31/03/80/607310380.db2.gz FVTHCHGGZGTXAC-JTQLQIEISA-N -1 3 394.399 0.273 20 0 GCADHM O=C1CNC(=O)N1c1cccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000823540467 607310381 /nfs/dbraw/zinc/31/03/81/607310381.db2.gz FVTHCHGGZGTXAC-JTQLQIEISA-N -1 3 394.399 0.273 20 0 GCADHM NC(=O)CNC(=O)c1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000822868549 607312873 /nfs/dbraw/zinc/31/28/73/607312873.db2.gz CLVZFKOEWBMSCF-UHFFFAOYSA-N -1 3 391.395 0.342 20 0 GCADHM NC(=O)CNC(=O)c1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000822868549 607312874 /nfs/dbraw/zinc/31/28/74/607312874.db2.gz CLVZFKOEWBMSCF-UHFFFAOYSA-N -1 3 391.395 0.342 20 0 GCADHM NC(=O)CCOc1ccccc1NC[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000822869248 607313626 /nfs/dbraw/zinc/31/36/26/607313626.db2.gz RQKXAGFCZVFKOM-LLVKDONJSA-N -1 3 383.416 0.471 20 0 GCADHM NC(=O)CCOc1ccccc1NC[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000822869248 607313627 /nfs/dbraw/zinc/31/36/27/607313627.db2.gz RQKXAGFCZVFKOM-LLVKDONJSA-N -1 3 383.416 0.471 20 0 GCADHM c1ncn(Cc2ccccc2NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000823786974 607314548 /nfs/dbraw/zinc/31/45/48/607314548.db2.gz GBQBEUBHBLBUGR-GFCCVEGCSA-N -1 3 377.416 0.857 20 0 GCADHM c1ncn(Cc2ccccc2NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000823786974 607314549 /nfs/dbraw/zinc/31/45/49/607314549.db2.gz GBQBEUBHBLBUGR-GFCCVEGCSA-N -1 3 377.416 0.857 20 0 GCADHM O=C(CCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)N1CCOCC1 ZINC000737849095 599265358 /nfs/dbraw/zinc/26/53/58/599265358.db2.gz YBRKPXBFGQPKGN-UHFFFAOYSA-N -1 3 389.366 0.776 20 0 GCADHM O=C(Cc1ccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)cc1)NCCO ZINC000823082601 607315251 /nfs/dbraw/zinc/31/52/51/607315251.db2.gz LKXVRHPCRYZODK-UHFFFAOYSA-N -1 3 392.423 0.778 20 0 GCADHM O=C(Cc1ccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)cc1)NCCO ZINC000823082601 607315252 /nfs/dbraw/zinc/31/52/52/607315252.db2.gz LKXVRHPCRYZODK-UHFFFAOYSA-N -1 3 392.423 0.778 20 0 GCADHM O=C(CCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)N1CCOCC1 ZINC000737849095 599265361 /nfs/dbraw/zinc/26/53/61/599265361.db2.gz YBRKPXBFGQPKGN-UHFFFAOYSA-N -1 3 389.366 0.776 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)c(Cl)c3)CC2)C1 ZINC000823614996 607304118 /nfs/dbraw/zinc/30/41/18/607304118.db2.gz WSAIOVQPVDIRMB-LBPRGKRZSA-N -1 3 382.877 0.829 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)c(Cl)c3)CC2)C1 ZINC000823614996 607304119 /nfs/dbraw/zinc/30/41/19/607304119.db2.gz WSAIOVQPVDIRMB-LBPRGKRZSA-N -1 3 382.877 0.829 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)C1 ZINC000823613455 607304300 /nfs/dbraw/zinc/30/43/00/607304300.db2.gz IVPABVKTTZRBRR-NSHDSACASA-N -1 3 382.877 0.829 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)C1 ZINC000823613455 607304301 /nfs/dbraw/zinc/30/43/01/607304301.db2.gz IVPABVKTTZRBRR-NSHDSACASA-N -1 3 382.877 0.829 20 0 GCADHM O=C([O-])[C@@H]1CCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000819287381 597537225 /nfs/dbraw/zinc/53/72/25/597537225.db2.gz SGJYQCZTUXGLDD-UZLBHIALSA-N -1 3 386.452 0.937 20 0 GCADHM O=C([O-])[C@@H]1CCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000819287380 597537442 /nfs/dbraw/zinc/53/74/42/597537442.db2.gz SGJYQCZTUXGLDD-OXQOHEQNSA-N -1 3 386.452 0.937 20 0 GCADHM CS(=O)(=O)NCCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000737169453 599267655 /nfs/dbraw/zinc/26/76/55/599267655.db2.gz YJCSKVZINDYVSM-UHFFFAOYSA-N -1 3 383.384 0.466 20 0 GCADHM CS(=O)(=O)NCCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000737169453 599267657 /nfs/dbraw/zinc/26/76/57/599267657.db2.gz YJCSKVZINDYVSM-UHFFFAOYSA-N -1 3 383.384 0.466 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821636683 599271554 /nfs/dbraw/zinc/27/15/54/599271554.db2.gz YTCGJTQKNGWJAL-GFCCVEGCSA-N -1 3 379.446 0.721 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821636683 599271555 /nfs/dbraw/zinc/27/15/55/599271555.db2.gz YTCGJTQKNGWJAL-GFCCVEGCSA-N -1 3 379.446 0.721 20 0 GCADHM COC[C@H](C)S(=O)(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736969627 599273971 /nfs/dbraw/zinc/27/39/71/599273971.db2.gz MEIYGUMMMBZVSN-ZDUSSCGKSA-N -1 3 380.474 0.744 20 0 GCADHM COC[C@H](C)S(=O)(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736969627 599273974 /nfs/dbraw/zinc/27/39/74/599273974.db2.gz MEIYGUMMMBZVSN-ZDUSSCGKSA-N -1 3 380.474 0.744 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821578136 599274736 /nfs/dbraw/zinc/27/47/36/599274736.db2.gz PCQQPHDUGMBUNA-UHFFFAOYSA-N -1 3 399.415 0.352 20 0 GCADHM C[C@@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113548 599275039 /nfs/dbraw/zinc/27/50/39/599275039.db2.gz PMKAYPFLEHWANP-ABAIWWIYSA-N -1 3 395.427 0.766 20 0 GCADHM C[C@@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113548 599275040 /nfs/dbraw/zinc/27/50/40/599275040.db2.gz PMKAYPFLEHWANP-ABAIWWIYSA-N -1 3 395.427 0.766 20 0 GCADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737161961 599275728 /nfs/dbraw/zinc/27/57/28/599275728.db2.gz OIKSYOYNZTUXCL-ZDUSSCGKSA-N -1 3 383.455 0.192 20 0 GCADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737161961 599275730 /nfs/dbraw/zinc/27/57/30/599275730.db2.gz OIKSYOYNZTUXCL-ZDUSSCGKSA-N -1 3 383.455 0.192 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000735472899 599279439 /nfs/dbraw/zinc/27/94/39/599279439.db2.gz CDUPVNDSLIFQFD-CYBMUJFWSA-N -1 3 377.380 0.052 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000735472899 599279442 /nfs/dbraw/zinc/27/94/42/599279442.db2.gz CDUPVNDSLIFQFD-CYBMUJFWSA-N -1 3 377.380 0.052 20 0 GCADHM CCC1N=NC(=S)N1CCNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736711265 599279553 /nfs/dbraw/zinc/27/95/53/599279553.db2.gz SZZKHKOWBLPHAK-JTQLQIEISA-N -1 3 388.457 0.893 20 0 GCADHM CCC1N=NC(=S)N1CCNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736711265 599279555 /nfs/dbraw/zinc/27/95/55/599279555.db2.gz SZZKHKOWBLPHAK-JTQLQIEISA-N -1 3 388.457 0.893 20 0 GCADHM CN1CC[C@@H](C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1=O ZINC000736850058 599279664 /nfs/dbraw/zinc/27/96/64/599279664.db2.gz YUGUDSNXFXKUSH-CYBMUJFWSA-N -1 3 383.456 0.820 20 0 GCADHM CN1CC[C@@H](C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1=O ZINC000736850058 599279666 /nfs/dbraw/zinc/27/96/66/599279666.db2.gz YUGUDSNXFXKUSH-CYBMUJFWSA-N -1 3 383.456 0.820 20 0 GCADHM CS(=O)(=O)N1CCC(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000737167958 599296993 /nfs/dbraw/zinc/29/69/93/599296993.db2.gz XEBHNDQVFVIZHD-UHFFFAOYSA-N -1 3 397.436 0.229 20 0 GCADHM CS(=O)(=O)N1CCC(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000737167958 599296994 /nfs/dbraw/zinc/29/69/94/599296994.db2.gz XEBHNDQVFVIZHD-UHFFFAOYSA-N -1 3 397.436 0.229 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)NCc3ccc(-c4nnn[n-]4)cc3F)C2=O)cn1 ZINC000737612450 599281186 /nfs/dbraw/zinc/28/11/86/599281186.db2.gz ZDYMWMJDIWPGHS-CQSZACIVSA-N -1 3 399.390 0.344 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)NCc3ccc(-c4nn[n-]n4)cc3F)C2=O)cn1 ZINC000737612450 599281188 /nfs/dbraw/zinc/28/11/88/599281188.db2.gz ZDYMWMJDIWPGHS-CQSZACIVSA-N -1 3 399.390 0.344 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000737062301 599281563 /nfs/dbraw/zinc/28/15/63/599281563.db2.gz IKJYGWROFHJREV-LBPRGKRZSA-N -1 3 375.389 0.244 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC000737062301 599281565 /nfs/dbraw/zinc/28/15/65/599281565.db2.gz IKJYGWROFHJREV-LBPRGKRZSA-N -1 3 375.389 0.244 20 0 GCADHM COC(=O)Cn1cc([C@@H](C)OC(=O)COc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000821663499 607320829 /nfs/dbraw/zinc/32/08/29/607320829.db2.gz AHOIAPZOVJVHFI-SNVBAGLBSA-N -1 3 387.356 0.314 20 0 GCADHM Cc1noc(CCCN2C(=O)N[C@@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000737534230 599285275 /nfs/dbraw/zinc/28/52/75/599285275.db2.gz ITVAEJNEDGTYOG-KRWDZBQOSA-N -1 3 382.384 0.958 20 0 GCADHM Cc1noc(CCCN2C(=O)N[C@@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737534230 599285278 /nfs/dbraw/zinc/28/52/78/599285278.db2.gz ITVAEJNEDGTYOG-KRWDZBQOSA-N -1 3 382.384 0.958 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000737471255 599289849 /nfs/dbraw/zinc/28/98/49/599289849.db2.gz GGCOLZUTZRUGSE-HNNXBMFYSA-N -1 3 397.443 0.703 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000737471255 599289851 /nfs/dbraw/zinc/28/98/51/599289851.db2.gz GGCOLZUTZRUGSE-HNNXBMFYSA-N -1 3 397.443 0.703 20 0 GCADHM COC(=O)Cn1cc([C@@H](C)OC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)nn1 ZINC000821663727 607320846 /nfs/dbraw/zinc/32/08/46/607320846.db2.gz LKBQAIVTIUAJJS-SSDOTTSWSA-N -1 3 393.310 0.827 20 0 GCADHM COC(=O)Cn1cc([C@@H](C)OC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)nn1 ZINC000821663727 607320847 /nfs/dbraw/zinc/32/08/47/607320847.db2.gz LKBQAIVTIUAJJS-SSDOTTSWSA-N -1 3 393.310 0.827 20 0 GCADHM NC(=O)[C@H](Sc1nnc(-c2ccccn2)n1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740436 599290504 /nfs/dbraw/zinc/29/05/04/599290504.db2.gz MPLTVRXXJXXGOY-GFCCVEGCSA-N -1 3 394.424 0.553 20 0 GCADHM NC(=O)[C@H](Sc1nnc(-c2ccccn2)n1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740436 599290505 /nfs/dbraw/zinc/29/05/05/599290505.db2.gz MPLTVRXXJXXGOY-GFCCVEGCSA-N -1 3 394.424 0.553 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(O)CCCC1 ZINC000820444464 607323314 /nfs/dbraw/zinc/32/33/14/607323314.db2.gz JLMDHNLAYNFBRA-NSHDSACASA-N -1 3 395.441 0.382 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(O)CCCC1 ZINC000820444464 607323315 /nfs/dbraw/zinc/32/33/15/607323315.db2.gz JLMDHNLAYNFBRA-NSHDSACASA-N -1 3 395.441 0.382 20 0 GCADHM Cc1c[nH]c(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822395157 607324296 /nfs/dbraw/zinc/32/42/96/607324296.db2.gz UAJUWTJHGYYWGV-VIFPVBQESA-N -1 3 376.402 0.204 20 0 GCADHM Cc1c[nH]c(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822395157 607324297 /nfs/dbraw/zinc/32/42/97/607324297.db2.gz UAJUWTJHGYYWGV-VIFPVBQESA-N -1 3 376.402 0.204 20 0 GCADHM COCCNC(=O)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821691531 599291600 /nfs/dbraw/zinc/29/16/00/599291600.db2.gz XVJYNBQJMYEKOU-UHFFFAOYSA-N -1 3 387.322 0.770 20 0 GCADHM COCCNC(=O)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821691531 599291601 /nfs/dbraw/zinc/29/16/01/599291601.db2.gz XVJYNBQJMYEKOU-UHFFFAOYSA-N -1 3 387.322 0.770 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@@H]1CN(C)CCO1 ZINC000820396273 607325252 /nfs/dbraw/zinc/32/52/52/607325252.db2.gz DSJGUITXPPAJBV-ABAIWWIYSA-N -1 3 397.443 0.084 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[C@@H]1CN(C)CCO1 ZINC000820396273 607325253 /nfs/dbraw/zinc/32/52/53/607325253.db2.gz DSJGUITXPPAJBV-ABAIWWIYSA-N -1 3 397.443 0.084 20 0 GCADHM Cc1cn(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1-c1nnn[n-]1 ZINC000822384084 607330068 /nfs/dbraw/zinc/33/00/68/607330068.db2.gz HFYLKLYTINBQAY-UHFFFAOYSA-N -1 3 388.476 0.036 20 0 GCADHM Cc1cn(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1-c1nn[n-]n1 ZINC000822384084 607330069 /nfs/dbraw/zinc/33/00/69/607330069.db2.gz HFYLKLYTINBQAY-UHFFFAOYSA-N -1 3 388.476 0.036 20 0 GCADHM COC(=O)N1CC(NC(=O)CCCOc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000821663672 607324928 /nfs/dbraw/zinc/32/49/28/607324928.db2.gz JDGIBXLGRNARMF-UHFFFAOYSA-N -1 3 390.400 0.601 20 0 GCADHM COC(=O)N1CC(NC(=O)CCCOc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000821663672 607324929 /nfs/dbraw/zinc/32/49/29/607324929.db2.gz JDGIBXLGRNARMF-UHFFFAOYSA-N -1 3 390.400 0.601 20 0 GCADHM O=C(CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)N1CCCCC1 ZINC000823181694 607334460 /nfs/dbraw/zinc/33/44/60/607334460.db2.gz DQVPOIDLHUIPSA-UHFFFAOYSA-N -1 3 389.391 0.463 20 0 GCADHM O=C(CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)N1CCCCC1 ZINC000823181694 607334462 /nfs/dbraw/zinc/33/44/62/607334462.db2.gz DQVPOIDLHUIPSA-UHFFFAOYSA-N -1 3 389.391 0.463 20 0 GCADHM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000819802428 607335288 /nfs/dbraw/zinc/33/52/88/607335288.db2.gz BDOMWUOQTDSYIE-LLVKDONJSA-N -1 3 389.391 0.319 20 0 GCADHM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000819802428 607335290 /nfs/dbraw/zinc/33/52/90/607335290.db2.gz BDOMWUOQTDSYIE-LLVKDONJSA-N -1 3 389.391 0.319 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819922514 607336767 /nfs/dbraw/zinc/33/67/67/607336767.db2.gz KHDHDXKZVWVEKH-UHFFFAOYSA-N -1 3 377.380 0.365 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819922514 607336769 /nfs/dbraw/zinc/33/67/69/607336769.db2.gz KHDHDXKZVWVEKH-UHFFFAOYSA-N -1 3 377.380 0.365 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821664935 607337685 /nfs/dbraw/zinc/33/76/85/607337685.db2.gz OSPDRHUKDCFWJR-JTQLQIEISA-N -1 3 391.363 0.291 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821664935 607337686 /nfs/dbraw/zinc/33/76/86/607337686.db2.gz OSPDRHUKDCFWJR-JTQLQIEISA-N -1 3 391.363 0.291 20 0 GCADHM CSC1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC000821949958 607340795 /nfs/dbraw/zinc/34/07/95/607340795.db2.gz KATCQNPSUDUESN-UHFFFAOYSA-N -1 3 394.432 0.973 20 0 GCADHM CSC1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000821949958 607340796 /nfs/dbraw/zinc/34/07/96/607340796.db2.gz KATCQNPSUDUESN-UHFFFAOYSA-N -1 3 394.432 0.973 20 0 GCADHM O=C(NC[C@H](O)c1ccsc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823166800 607340844 /nfs/dbraw/zinc/34/08/44/607340844.db2.gz PVKAENDONFZVLM-LBPRGKRZSA-N -1 3 376.373 0.856 20 0 GCADHM O=C(NC[C@H](O)c1ccsc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823166800 607340847 /nfs/dbraw/zinc/34/08/47/607340847.db2.gz PVKAENDONFZVLM-LBPRGKRZSA-N -1 3 376.373 0.856 20 0 GCADHM O=C(NCCCOC[C@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823191754 607341072 /nfs/dbraw/zinc/34/10/72/607341072.db2.gz NYKZFBAJSCOVCR-LLVKDONJSA-N -1 3 392.391 0.504 20 0 GCADHM O=C(NCCCOC[C@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823191754 607341073 /nfs/dbraw/zinc/34/10/73/607341073.db2.gz NYKZFBAJSCOVCR-LLVKDONJSA-N -1 3 392.391 0.504 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)NC(C)(C)C ZINC000820314863 607341753 /nfs/dbraw/zinc/34/17/53/607341753.db2.gz LOBATSAVCWBNOY-QMMMGPOBSA-N -1 3 377.380 0.364 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)NC(C)(C)C ZINC000820314863 607341755 /nfs/dbraw/zinc/34/17/55/607341755.db2.gz LOBATSAVCWBNOY-QMMMGPOBSA-N -1 3 377.380 0.364 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820287156 607342469 /nfs/dbraw/zinc/34/24/69/607342469.db2.gz JLHCRVOETGTREU-MWLCHTKSSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820287156 607342470 /nfs/dbraw/zinc/34/24/70/607342470.db2.gz JLHCRVOETGTREU-MWLCHTKSSA-N -1 3 378.364 0.255 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000823323452 607342572 /nfs/dbraw/zinc/34/25/72/607342572.db2.gz OIZPXQYCODDVBX-CABCVRRESA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000823323452 607342574 /nfs/dbraw/zinc/34/25/74/607342574.db2.gz OIZPXQYCODDVBX-CABCVRRESA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000823323248 607342791 /nfs/dbraw/zinc/34/27/91/607342791.db2.gz IEWTWQOYXQHLGE-LLVKDONJSA-N -1 3 385.363 0.400 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000823323248 607342792 /nfs/dbraw/zinc/34/27/92/607342792.db2.gz IEWTWQOYXQHLGE-LLVKDONJSA-N -1 3 385.363 0.400 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000822859977 607344065 /nfs/dbraw/zinc/34/40/65/607344065.db2.gz KSUUFTBFMPHFGX-UHFFFAOYSA-N -1 3 375.364 0.105 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000822859977 607344066 /nfs/dbraw/zinc/34/40/66/607344066.db2.gz KSUUFTBFMPHFGX-UHFFFAOYSA-N -1 3 375.364 0.105 20 0 GCADHM O=C(NC[C@@H]1CSCCS1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823182199 607345247 /nfs/dbraw/zinc/34/52/47/607345247.db2.gz JFSAFDXZAOASAX-SECBINFHSA-N -1 3 382.446 0.909 20 0 GCADHM O=C(NC[C@@H]1CSCCS1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823182199 607345248 /nfs/dbraw/zinc/34/52/48/607345248.db2.gz JFSAFDXZAOASAX-SECBINFHSA-N -1 3 382.446 0.909 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000821727245 607345262 /nfs/dbraw/zinc/34/52/62/607345262.db2.gz FRLLKKWQTPKPHK-UHFFFAOYSA-N -1 3 398.358 0.328 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000821727245 607345263 /nfs/dbraw/zinc/34/52/63/607345263.db2.gz FRLLKKWQTPKPHK-UHFFFAOYSA-N -1 3 398.358 0.328 20 0 GCADHM CCCC[C@H](NC(N)=O)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736436594 598231329 /nfs/dbraw/zinc/23/13/29/598231329.db2.gz DTAXMNDXALXLLX-AWEZNQCLSA-N -1 3 386.460 0.742 20 0 GCADHM CCCC[C@H](NC(N)=O)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736436594 598231330 /nfs/dbraw/zinc/23/13/30/598231330.db2.gz DTAXMNDXALXLLX-AWEZNQCLSA-N -1 3 386.460 0.742 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737759475 598232217 /nfs/dbraw/zinc/23/22/17/598232217.db2.gz CNHMPWJTPSTYKB-UHFFFAOYSA-N -1 3 377.408 0.928 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737759475 598232219 /nfs/dbraw/zinc/23/22/19/598232219.db2.gz CNHMPWJTPSTYKB-UHFFFAOYSA-N -1 3 377.408 0.928 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736295546 598233245 /nfs/dbraw/zinc/23/32/45/598233245.db2.gz ZSABTWSVMXVVFA-YOEHRIQHSA-N -1 3 385.472 0.672 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736292782 598233303 /nfs/dbraw/zinc/23/33/03/598233303.db2.gz LXSMVVZHELUNOP-ZDUSSCGKSA-N -1 3 376.486 0.937 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736292782 598233305 /nfs/dbraw/zinc/23/33/05/598233305.db2.gz LXSMVVZHELUNOP-ZDUSSCGKSA-N -1 3 376.486 0.937 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737015837 598233395 /nfs/dbraw/zinc/23/33/95/598233395.db2.gz GHTHWFGJZFOYOE-UHFFFAOYSA-N -1 3 390.791 0.940 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737015837 598233397 /nfs/dbraw/zinc/23/33/97/598233397.db2.gz GHTHWFGJZFOYOE-UHFFFAOYSA-N -1 3 390.791 0.940 20 0 GCADHM CC(C)N1C(=O)C(=O)N(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000735875849 598234176 /nfs/dbraw/zinc/23/41/76/598234176.db2.gz RXBWEKWJDTYUMR-UHFFFAOYSA-N -1 3 398.427 0.145 20 0 GCADHM CC(C)N1C(=O)C(=O)N(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000735875849 598234178 /nfs/dbraw/zinc/23/41/78/598234178.db2.gz RXBWEKWJDTYUMR-UHFFFAOYSA-N -1 3 398.427 0.145 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCN1CCOC[C@@H]1C ZINC000737022838 598234219 /nfs/dbraw/zinc/23/42/19/598234219.db2.gz CIOHRBXFNYXHRZ-LBPRGKRZSA-N -1 3 376.417 0.091 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCN1CCOC[C@@H]1C ZINC000737022838 598234221 /nfs/dbraw/zinc/23/42/21/598234221.db2.gz CIOHRBXFNYXHRZ-LBPRGKRZSA-N -1 3 376.417 0.091 20 0 GCADHM CS(=O)(=O)NCCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737168234 598236137 /nfs/dbraw/zinc/23/61/37/598236137.db2.gz HRAZYAMICBRCSS-UHFFFAOYSA-N -1 3 394.457 0.176 20 0 GCADHM CS(=O)(=O)NCCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737168234 598236139 /nfs/dbraw/zinc/23/61/39/598236139.db2.gz HRAZYAMICBRCSS-UHFFFAOYSA-N -1 3 394.457 0.176 20 0 GCADHM O=C(CCN1CCOCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737842819 598238716 /nfs/dbraw/zinc/23/87/16/598238716.db2.gz CXKZNOGDHVKRNV-UHFFFAOYSA-N -1 3 386.456 0.959 20 0 GCADHM Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000737521215 598242861 /nfs/dbraw/zinc/24/28/61/598242861.db2.gz OHIIZPBNHLTHQR-UHFFFAOYSA-N -1 3 380.416 0.094 20 0 GCADHM Cc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737521215 598242863 /nfs/dbraw/zinc/24/28/63/598242863.db2.gz OHIIZPBNHLTHQR-UHFFFAOYSA-N -1 3 380.416 0.094 20 0 GCADHM Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000737519703 598247197 /nfs/dbraw/zinc/24/71/97/598247197.db2.gz CUBBPKPPMCYLLN-UHFFFAOYSA-N -1 3 396.459 0.653 20 0 GCADHM Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)c(-c2nn[n-]n2)c1C ZINC000737519703 598247199 /nfs/dbraw/zinc/24/71/99/598247199.db2.gz CUBBPKPPMCYLLN-UHFFFAOYSA-N -1 3 396.459 0.653 20 0 GCADHM C[C@H]1CN(C(=O)CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)CCO1 ZINC000736282486 598248774 /nfs/dbraw/zinc/24/87/74/598248774.db2.gz YABHZZSWDCHNEX-AWEZNQCLSA-N -1 3 386.456 0.957 20 0 GCADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(Cc2nnnn2C2CC2)C1=O ZINC000736225186 598249548 /nfs/dbraw/zinc/24/95/48/598249548.db2.gz XJGSBWBVKUXIKZ-MRXNPFEDSA-N -1 3 380.372 0.155 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(Cc2nnnn2C2CC2)C1=O ZINC000736225186 598249549 /nfs/dbraw/zinc/24/95/49/598249549.db2.gz XJGSBWBVKUXIKZ-MRXNPFEDSA-N -1 3 380.372 0.155 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737754085 598249691 /nfs/dbraw/zinc/24/96/91/598249691.db2.gz CNCZCKIWBKOBBO-YOEHRIQHSA-N -1 3 380.408 0.523 20 0 GCADHM CC(C)CNC(=O)NC(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735835195 598252701 /nfs/dbraw/zinc/25/27/01/598252701.db2.gz GERQFDICKQDDSE-UHFFFAOYSA-N -1 3 386.460 0.471 20 0 GCADHM CC(C)CNC(=O)NC(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735835195 598252704 /nfs/dbraw/zinc/25/27/04/598252704.db2.gz GERQFDICKQDDSE-UHFFFAOYSA-N -1 3 386.460 0.471 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCSCC1 ZINC000736129635 598253546 /nfs/dbraw/zinc/25/35/46/598253546.db2.gz HKUOWFTXCPKSHE-JTQLQIEISA-N -1 3 382.471 0.109 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCSCC1 ZINC000736129635 598253547 /nfs/dbraw/zinc/25/35/47/598253547.db2.gz HKUOWFTXCPKSHE-JTQLQIEISA-N -1 3 382.471 0.109 20 0 GCADHM CN1CCO[C@@H](CNC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000736867212 598255155 /nfs/dbraw/zinc/25/51/55/598255155.db2.gz KFVNUTVWAWJRKG-AWEZNQCLSA-N -1 3 391.501 0.730 20 0 GCADHM CN1CCO[C@@H](CNC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000736867212 598255157 /nfs/dbraw/zinc/25/51/57/598255157.db2.gz KFVNUTVWAWJRKG-AWEZNQCLSA-N -1 3 391.501 0.730 20 0 GCADHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000113882288 598256452 /nfs/dbraw/zinc/25/64/52/598256452.db2.gz XWEBUKGCCDKEGJ-UHFFFAOYSA-N -1 3 392.423 0.917 20 0 GCADHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000113882288 598256453 /nfs/dbraw/zinc/25/64/53/598256453.db2.gz XWEBUKGCCDKEGJ-UHFFFAOYSA-N -1 3 392.423 0.917 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(c2cccnn2)CC1 ZINC000735562188 598257439 /nfs/dbraw/zinc/25/74/39/598257439.db2.gz ODPCZVPJWSZBPW-ZDUSSCGKSA-N -1 3 379.428 0.806 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(c2cccnn2)CC1 ZINC000735562188 598257441 /nfs/dbraw/zinc/25/74/41/598257441.db2.gz ODPCZVPJWSZBPW-ZDUSSCGKSA-N -1 3 379.428 0.806 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736414649 598257566 /nfs/dbraw/zinc/25/75/66/598257566.db2.gz ZGPKSLBPRSKRQP-INIZCTEOSA-N -1 3 385.472 0.864 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736414649 598257567 /nfs/dbraw/zinc/25/75/67/598257567.db2.gz ZGPKSLBPRSKRQP-INIZCTEOSA-N -1 3 385.472 0.864 20 0 GCADHM O=C(CCN1CCN(c2cccnn2)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737844441 598258587 /nfs/dbraw/zinc/25/85/87/598258587.db2.gz UMFTXDPNPFKZOR-UHFFFAOYSA-N -1 3 385.457 0.869 20 0 GCADHM O=C(CCN1CCN(c2cccnn2)CC1)Nc1sccc1-c1nn[n-]n1 ZINC000737844441 598258588 /nfs/dbraw/zinc/25/85/88/598258588.db2.gz UMFTXDPNPFKZOR-UHFFFAOYSA-N -1 3 385.457 0.869 20 0 GCADHM C[C@H]1C(=O)NCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736228644 598259959 /nfs/dbraw/zinc/25/99/59/598259959.db2.gz HXFNKKXGHZSXFW-NSHDSACASA-N -1 3 382.380 0.999 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341227 598261338 /nfs/dbraw/zinc/26/13/38/598261338.db2.gz DDQQGSARFBXVAJ-CQSZACIVSA-N -1 3 385.453 0.815 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341227 598261339 /nfs/dbraw/zinc/26/13/39/598261339.db2.gz DDQQGSARFBXVAJ-CQSZACIVSA-N -1 3 385.453 0.815 20 0 GCADHM C[C@H]1CN(CCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000736284745 598261897 /nfs/dbraw/zinc/26/18/97/598261897.db2.gz FFWFNUZRSCLWLM-RYUDHWBXSA-N -1 3 381.462 0.039 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736595643 598263543 /nfs/dbraw/zinc/26/35/43/598263543.db2.gz WKIQBULMWPFAIY-AWEZNQCLSA-N -1 3 394.457 0.571 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736595643 598263545 /nfs/dbraw/zinc/26/35/45/598263545.db2.gz WKIQBULMWPFAIY-AWEZNQCLSA-N -1 3 394.457 0.571 20 0 GCADHM O=S(=O)(NCc1ccccc1Cn1ccnc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738346320 598264664 /nfs/dbraw/zinc/26/46/64/598264664.db2.gz ZQRVGPNKPXLEHJ-UHFFFAOYSA-N -1 3 396.436 0.985 20 0 GCADHM O=S(=O)(NCc1ccccc1Cn1ccnc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738346320 598264665 /nfs/dbraw/zinc/26/46/65/598264665.db2.gz ZQRVGPNKPXLEHJ-UHFFFAOYSA-N -1 3 396.436 0.985 20 0 GCADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000737242001 598271157 /nfs/dbraw/zinc/27/11/57/598271157.db2.gz TZVJFIVXPDZARC-GHMZBOCLSA-N -1 3 396.498 0.662 20 0 GCADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000737242001 598271159 /nfs/dbraw/zinc/27/11/59/598271159.db2.gz TZVJFIVXPDZARC-GHMZBOCLSA-N -1 3 396.498 0.662 20 0 GCADHM C[C@@H]1CCCN(S(=O)(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736276397 598271561 /nfs/dbraw/zinc/27/15/61/598271561.db2.gz HELQVDPBNDWKTK-CQSZACIVSA-N -1 3 391.501 0.965 20 0 GCADHM C[C@@H]1CCCN(S(=O)(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736276397 598271563 /nfs/dbraw/zinc/27/15/63/598271563.db2.gz HELQVDPBNDWKTK-CQSZACIVSA-N -1 3 391.501 0.965 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000737221513 598272261 /nfs/dbraw/zinc/27/22/61/598272261.db2.gz LSRJVPCUUJTCBN-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000737221513 598272262 /nfs/dbraw/zinc/27/22/62/598272262.db2.gz LSRJVPCUUJTCBN-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM O=S(=O)(C[C@@H]1CCCO1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738319315 598272439 /nfs/dbraw/zinc/27/24/39/598272439.db2.gz UYCSKZIJEBZUOD-ZDUSSCGKSA-N -1 3 396.448 0.637 20 0 GCADHM O=C1Cc2ccccc2N1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738316991 598274382 /nfs/dbraw/zinc/27/43/82/598274382.db2.gz XVBSWJILGKSBNI-UHFFFAOYSA-N -1 3 384.421 0.734 20 0 GCADHM O=C1Cc2ccccc2N1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738316991 598274384 /nfs/dbraw/zinc/27/43/84/598274384.db2.gz XVBSWJILGKSBNI-UHFFFAOYSA-N -1 3 384.421 0.734 20 0 GCADHM Cc1onc2c1c(C)nn(C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000737513489 598274457 /nfs/dbraw/zinc/27/44/57/598274457.db2.gz PHJUMADVLIZIDS-GFCCVEGCSA-N -1 3 383.368 0.621 20 0 GCADHM CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1 ZINC000737165775 598275576 /nfs/dbraw/zinc/27/55/76/598275576.db2.gz OFKBUAMZZDTFRX-UHFFFAOYSA-N -1 3 376.364 0.967 20 0 GCADHM CCS(=O)(=O)NCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736666399 598278262 /nfs/dbraw/zinc/27/82/62/598278262.db2.gz ZKFSNZBINKQTDD-UHFFFAOYSA-N -1 3 384.466 0.484 20 0 GCADHM CCS(=O)(=O)NCCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736666399 598278264 /nfs/dbraw/zinc/27/82/64/598278264.db2.gz ZKFSNZBINKQTDD-UHFFFAOYSA-N -1 3 384.466 0.484 20 0 GCADHM CC(C)NC(=O)CCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735884639 598281843 /nfs/dbraw/zinc/28/18/43/598281843.db2.gz MTRMYLSNMWRQFM-UHFFFAOYSA-N -1 3 386.460 0.613 20 0 GCADHM CC(C)NC(=O)CCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735884639 598281845 /nfs/dbraw/zinc/28/18/45/598281845.db2.gz MTRMYLSNMWRQFM-UHFFFAOYSA-N -1 3 386.460 0.613 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1nc(C)no1 ZINC000737003163 598285600 /nfs/dbraw/zinc/28/56/00/598285600.db2.gz VIKWRKDCPNTKKC-UHFFFAOYSA-N -1 3 386.416 0.959 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1nc(C)no1 ZINC000737003163 598285601 /nfs/dbraw/zinc/28/56/01/598285601.db2.gz VIKWRKDCPNTKKC-UHFFFAOYSA-N -1 3 386.416 0.959 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc(-n2cnnc2)cc1 ZINC000738079131 598286014 /nfs/dbraw/zinc/28/60/14/598286014.db2.gz WBZQWLNBMCLFFT-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc(-n2cnnc2)cc1 ZINC000738079131 598286016 /nfs/dbraw/zinc/28/60/16/598286016.db2.gz WBZQWLNBMCLFFT-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC000738022844 598287158 /nfs/dbraw/zinc/28/71/58/598287158.db2.gz TWRCELZXNUVXNS-UHFFFAOYSA-N -1 3 381.440 0.574 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1 ZINC000738022844 598287160 /nfs/dbraw/zinc/28/71/60/598287160.db2.gz TWRCELZXNUVXNS-UHFFFAOYSA-N -1 3 381.440 0.574 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737900938 598287673 /nfs/dbraw/zinc/28/76/73/598287673.db2.gz ONJFAZOEJPBCMA-UHFFFAOYSA-N -1 3 384.396 0.085 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737900938 598287675 /nfs/dbraw/zinc/28/76/75/598287675.db2.gz ONJFAZOEJPBCMA-UHFFFAOYSA-N -1 3 384.396 0.085 20 0 GCADHM COC(=O)N(C)CCCC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736932704 598288848 /nfs/dbraw/zinc/28/88/48/598288848.db2.gz RGMFVGPMMGBYSD-UHFFFAOYSA-N -1 3 376.373 0.827 20 0 GCADHM COC(=O)N(C)CCCC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736932704 598288849 /nfs/dbraw/zinc/28/88/49/598288849.db2.gz RGMFVGPMMGBYSD-UHFFFAOYSA-N -1 3 376.373 0.827 20 0 GCADHM O=C(COC[C@@H]1CCCO1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737917059 598288885 /nfs/dbraw/zinc/28/88/85/598288885.db2.gz UHOVXPIKJGGKKS-AWEZNQCLSA-N -1 3 390.419 0.850 20 0 GCADHM Cn1nnc2cc(C(=O)OCC(=O)Nc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000737627167 598289085 /nfs/dbraw/zinc/28/90/85/598289085.db2.gz LQLFFRAEKINCAK-UHFFFAOYSA-N -1 3 378.352 0.944 20 0 GCADHM Cn1nnc2cc(C(=O)OCC(=O)Nc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000737627167 598289087 /nfs/dbraw/zinc/28/90/87/598289087.db2.gz LQLFFRAEKINCAK-UHFFFAOYSA-N -1 3 378.352 0.944 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737900944 598289152 /nfs/dbraw/zinc/28/91/52/598289152.db2.gz OOVHCSBNTPFYNC-UHFFFAOYSA-N -1 3 384.396 0.797 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737900944 598289154 /nfs/dbraw/zinc/28/91/54/598289154.db2.gz OOVHCSBNTPFYNC-UHFFFAOYSA-N -1 3 384.396 0.797 20 0 GCADHM Cc1ccncc1NC(=O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737441913 598290057 /nfs/dbraw/zinc/29/00/57/598290057.db2.gz BVDDPQGELRWPDS-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1ccncc1NC(=O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737441913 598290058 /nfs/dbraw/zinc/29/00/58/598290058.db2.gz BVDDPQGELRWPDS-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1cccc(-n2cnnn2)c1 ZINC000738223995 598292698 /nfs/dbraw/zinc/29/26/98/598292698.db2.gz KGGAUBCCDNFYMO-UHFFFAOYSA-N -1 3 378.356 0.506 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1cccc(-n2cnnn2)c1 ZINC000738223995 598292700 /nfs/dbraw/zinc/29/27/00/598292700.db2.gz KGGAUBCCDNFYMO-UHFFFAOYSA-N -1 3 378.356 0.506 20 0 GCADHM CC(=O)N[C@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)c1ccc(C)cc1 ZINC000735475000 598292737 /nfs/dbraw/zinc/29/27/37/598292737.db2.gz MWIOLVZXKWWOTC-OAHLLOKOSA-N -1 3 398.427 0.765 20 0 GCADHM CC(=O)N[C@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)c1ccc(C)cc1 ZINC000735475000 598292739 /nfs/dbraw/zinc/29/27/39/598292739.db2.gz MWIOLVZXKWWOTC-OAHLLOKOSA-N -1 3 398.427 0.765 20 0 GCADHM C[C@@H](NC(=O)c1cccs1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736125228 598292832 /nfs/dbraw/zinc/29/28/32/598292832.db2.gz JBCAUYOEQIKWEM-MRVPVSSYSA-N -1 3 376.402 0.069 20 0 GCADHM C[C@@H](NC(=O)c1cccs1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736125228 598292833 /nfs/dbraw/zinc/29/28/33/598292833.db2.gz JBCAUYOEQIKWEM-MRVPVSSYSA-N -1 3 376.402 0.069 20 0 GCADHM CC(=O)N[C@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)c1cccs1 ZINC000735474010 598292847 /nfs/dbraw/zinc/29/28/47/598292847.db2.gz FBUOBJTYMUHHIK-LLVKDONJSA-N -1 3 390.429 0.518 20 0 GCADHM CC(=O)N[C@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)c1cccs1 ZINC000735474010 598292848 /nfs/dbraw/zinc/29/28/48/598292848.db2.gz FBUOBJTYMUHHIK-LLVKDONJSA-N -1 3 390.429 0.518 20 0 GCADHM CC(=O)N[C@@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)c1ccc(C)cc1 ZINC000735474999 598292856 /nfs/dbraw/zinc/29/28/56/598292856.db2.gz MWIOLVZXKWWOTC-HNNXBMFYSA-N -1 3 398.427 0.765 20 0 GCADHM CC(=O)N[C@@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)c1ccc(C)cc1 ZINC000735474999 598292857 /nfs/dbraw/zinc/29/28/57/598292857.db2.gz MWIOLVZXKWWOTC-HNNXBMFYSA-N -1 3 398.427 0.765 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)NC[C@H]1CCCO1 ZINC000737883235 598293008 /nfs/dbraw/zinc/29/30/08/598293008.db2.gz OYWCXTHBKHRALY-CQSZACIVSA-N -1 3 389.435 0.423 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)NC[C@@H]1CCCO1 ZINC000737883231 598293061 /nfs/dbraw/zinc/29/30/61/598293061.db2.gz OYWCXTHBKHRALY-AWEZNQCLSA-N -1 3 389.435 0.423 20 0 GCADHM O=C(NCCCN1CCCC1=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738301507 598293840 /nfs/dbraw/zinc/29/38/40/598293840.db2.gz AUNAGCNGWTXXPM-UHFFFAOYSA-N -1 3 398.471 0.711 20 0 GCADHM O=C(NCCCN1CCCC1=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738301507 598293842 /nfs/dbraw/zinc/29/38/42/598293842.db2.gz AUNAGCNGWTXXPM-UHFFFAOYSA-N -1 3 398.471 0.711 20 0 GCADHM O=C(Cn1c(=O)onc1-c1cnccn1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737982049 598294914 /nfs/dbraw/zinc/29/49/14/598294914.db2.gz MUGPAZPTBMJEER-UHFFFAOYSA-N -1 3 399.758 0.766 20 0 GCADHM O=C(Cn1c(=O)onc1-c1cnccn1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737982049 598294916 /nfs/dbraw/zinc/29/49/16/598294916.db2.gz MUGPAZPTBMJEER-UHFFFAOYSA-N -1 3 399.758 0.766 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000737769632 598295074 /nfs/dbraw/zinc/29/50/74/598295074.db2.gz AIPQSWVXTTZLAT-CQSZACIVSA-N -1 3 379.384 0.675 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000737769632 598295076 /nfs/dbraw/zinc/29/50/76/598295076.db2.gz AIPQSWVXTTZLAT-CQSZACIVSA-N -1 3 379.384 0.675 20 0 GCADHM S=C(NCCc1ccccn1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738400558 598296956 /nfs/dbraw/zinc/29/69/56/598296956.db2.gz GLJQQSKPXLTTTQ-UHFFFAOYSA-N -1 3 395.496 0.896 20 0 GCADHM S=C(NCCc1ccccn1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738400558 598296958 /nfs/dbraw/zinc/29/69/58/598296958.db2.gz GLJQQSKPXLTTTQ-UHFFFAOYSA-N -1 3 395.496 0.896 20 0 GCADHM Fc1cc(-c2nnn[n-]2)ccc1CNC(=S)NCCCN1CCOCC1 ZINC000737640478 598297790 /nfs/dbraw/zinc/29/77/90/598297790.db2.gz YKKCXFCQOZCGCG-UHFFFAOYSA-N -1 3 379.465 0.692 20 0 GCADHM Fc1cc(-c2nn[n-]n2)ccc1CNC(=S)NCCCN1CCOCC1 ZINC000737640478 598297792 /nfs/dbraw/zinc/29/77/92/598297792.db2.gz YKKCXFCQOZCGCG-UHFFFAOYSA-N -1 3 379.465 0.692 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000735622774 598299792 /nfs/dbraw/zinc/29/97/92/598299792.db2.gz FEIMDLICKQOQBJ-NSHDSACASA-N -1 3 396.498 0.845 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000735622774 598299794 /nfs/dbraw/zinc/29/97/94/598299794.db2.gz FEIMDLICKQOQBJ-NSHDSACASA-N -1 3 396.498 0.845 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736323910 598300536 /nfs/dbraw/zinc/30/05/36/598300536.db2.gz FSAXNGOXBOWWEX-ZYHUDNBSSA-N -1 3 396.498 0.845 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736323910 598300538 /nfs/dbraw/zinc/30/05/38/598300538.db2.gz FSAXNGOXBOWWEX-ZYHUDNBSSA-N -1 3 396.498 0.845 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738343601 598300807 /nfs/dbraw/zinc/30/08/07/598300807.db2.gz SEIWYBMPHGHEJZ-QWRGUYRKSA-N -1 3 398.876 0.662 20 0 GCADHM O=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737955379 598302343 /nfs/dbraw/zinc/30/23/43/598302343.db2.gz FQFFAMBSGPRREP-UHFFFAOYSA-N -1 3 379.359 0.840 20 0 GCADHM O=C(Cc1ccc(-n2cnnn2)cc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737955379 598302345 /nfs/dbraw/zinc/30/23/45/598302345.db2.gz FQFFAMBSGPRREP-UHFFFAOYSA-N -1 3 379.359 0.840 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737168087 598303318 /nfs/dbraw/zinc/30/33/18/598303318.db2.gz YKGVJXHFSDMFAI-UHFFFAOYSA-N -1 3 382.421 0.294 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737168087 598303320 /nfs/dbraw/zinc/30/33/20/598303320.db2.gz YKGVJXHFSDMFAI-UHFFFAOYSA-N -1 3 382.421 0.294 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000736213760 598304513 /nfs/dbraw/zinc/30/45/13/598304513.db2.gz JGEXFYOEHZERNQ-QGZVFWFLSA-N -1 3 387.375 0.343 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000736213760 598304514 /nfs/dbraw/zinc/30/45/14/598304514.db2.gz JGEXFYOEHZERNQ-QGZVFWFLSA-N -1 3 387.375 0.343 20 0 GCADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000736284591 598304727 /nfs/dbraw/zinc/30/47/27/598304727.db2.gz BNJDDMBTTYDZML-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000736284591 598304729 /nfs/dbraw/zinc/30/47/29/598304729.db2.gz BNJDDMBTTYDZML-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM CC(=O)NC1CCC(NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000735475406 598304778 /nfs/dbraw/zinc/30/47/78/598304778.db2.gz PYXVKTZQUPFPBD-UHFFFAOYSA-N -1 3 385.428 0.677 20 0 GCADHM CC(=O)NC1CCC(NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000735475406 598304779 /nfs/dbraw/zinc/30/47/79/598304779.db2.gz PYXVKTZQUPFPBD-UHFFFAOYSA-N -1 3 385.428 0.677 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1ccccc1CO ZINC000737057094 598307205 /nfs/dbraw/zinc/30/72/05/598307205.db2.gz GSERSLIJGLXCTM-UHFFFAOYSA-N -1 3 382.380 0.623 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1ccccc1CO ZINC000737057094 598307207 /nfs/dbraw/zinc/30/72/07/598307207.db2.gz GSERSLIJGLXCTM-UHFFFAOYSA-N -1 3 382.380 0.623 20 0 GCADHM O=C(CNS(=O)(=O)c1cccs1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737896167 598309664 /nfs/dbraw/zinc/30/96/64/598309664.db2.gz XWQONTRJGYRZEX-UHFFFAOYSA-N -1 3 396.429 0.662 20 0 GCADHM O=C(CNS(=O)(=O)c1cccs1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737896167 598309666 /nfs/dbraw/zinc/30/96/66/598309666.db2.gz XWQONTRJGYRZEX-UHFFFAOYSA-N -1 3 396.429 0.662 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736931083 598310231 /nfs/dbraw/zinc/31/02/31/598310231.db2.gz OPXVNGMIPGSILN-UHFFFAOYSA-N -1 3 398.832 0.481 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736931083 598310233 /nfs/dbraw/zinc/31/02/33/598310233.db2.gz OPXVNGMIPGSILN-UHFFFAOYSA-N -1 3 398.832 0.481 20 0 GCADHM COC(=O)CSCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736931124 598310365 /nfs/dbraw/zinc/31/03/65/598310365.db2.gz QCFZYTLHRBLBRX-CQSZACIVSA-N -1 3 390.469 0.858 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736594137 598311784 /nfs/dbraw/zinc/31/17/84/598311784.db2.gz NZKDVWJDOCFPHH-ZDUSSCGKSA-N -1 3 398.420 0.368 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736594137 598311786 /nfs/dbraw/zinc/31/17/86/598311786.db2.gz NZKDVWJDOCFPHH-ZDUSSCGKSA-N -1 3 398.420 0.368 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736658313 598320491 /nfs/dbraw/zinc/32/04/91/598320491.db2.gz ARWRLGAEGOSNKU-UHFFFAOYSA-N -1 3 385.425 0.134 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736658313 598320493 /nfs/dbraw/zinc/32/04/93/598320493.db2.gz ARWRLGAEGOSNKU-UHFFFAOYSA-N -1 3 385.425 0.134 20 0 GCADHM CN(C)C(=O)CCCCS(=O)(=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736746675 598322044 /nfs/dbraw/zinc/32/20/44/598322044.db2.gz NGNCOLZNIRPJHF-UHFFFAOYSA-N -1 3 394.457 0.479 20 0 GCADHM CN(C)C(=O)CCCCS(=O)(=O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736746675 598322047 /nfs/dbraw/zinc/32/20/47/598322047.db2.gz NGNCOLZNIRPJHF-UHFFFAOYSA-N -1 3 394.457 0.479 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CCN1c1nccn2cnnc12 ZINC000820743736 607350026 /nfs/dbraw/zinc/35/00/26/607350026.db2.gz VDLHYGLIZCKWCT-NSHDSACASA-N -1 3 391.399 0.050 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CCN1c1nccn2cnnc12 ZINC000820743736 607350028 /nfs/dbraw/zinc/35/00/28/607350028.db2.gz VDLHYGLIZCKWCT-NSHDSACASA-N -1 3 391.399 0.050 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737164892 598328362 /nfs/dbraw/zinc/32/83/62/598328362.db2.gz CVLOHTALBRZSNM-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737164892 598328363 /nfs/dbraw/zinc/32/83/63/598328363.db2.gz CVLOHTALBRZSNM-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCN(c2ncccn2)CC1 ZINC000738098756 598329559 /nfs/dbraw/zinc/32/95/59/598329559.db2.gz BPIXCBFBFGETNF-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCN(c2ncccn2)CC1 ZINC000738098756 598329561 /nfs/dbraw/zinc/32/95/61/598329561.db2.gz BPIXCBFBFGETNF-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM NC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737759523 598330530 /nfs/dbraw/zinc/33/05/30/598330530.db2.gz UHYYDYOKGKWILY-UHFFFAOYSA-N -1 3 397.370 0.289 20 0 GCADHM NC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737759523 598330532 /nfs/dbraw/zinc/33/05/32/598330532.db2.gz UHYYDYOKGKWILY-UHFFFAOYSA-N -1 3 397.370 0.289 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736510510 598332968 /nfs/dbraw/zinc/33/29/68/598332968.db2.gz YJPRJTBSWOIWAJ-CYBMUJFWSA-N -1 3 376.442 0.625 20 0 GCADHM C[C@@H]1CO[C@@H](C)CN1CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736285175 598334765 /nfs/dbraw/zinc/33/47/65/598334765.db2.gz IXFQNRJODYXBQU-OLZOCXBDSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1CO[C@@H](C)CN1CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736285175 598334766 /nfs/dbraw/zinc/33/47/66/598334766.db2.gz IXFQNRJODYXBQU-OLZOCXBDSA-N -1 3 385.428 0.698 20 0 GCADHM CN(Cc1cnn(C)c1)CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736831997 598335173 /nfs/dbraw/zinc/33/51/73/598335173.db2.gz VZSBJXQLIUZXGL-UHFFFAOYSA-N -1 3 395.427 0.454 20 0 GCADHM CN(Cc1cnn(C)c1)CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736831997 598335174 /nfs/dbraw/zinc/33/51/74/598335174.db2.gz VZSBJXQLIUZXGL-UHFFFAOYSA-N -1 3 395.427 0.454 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCc1cccc(C(N)=O)c1 ZINC000737023213 598335282 /nfs/dbraw/zinc/33/52/82/598335282.db2.gz IFSHJQAMLKAYGR-UHFFFAOYSA-N -1 3 396.407 0.712 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCc1cccc(C(N)=O)c1 ZINC000737023213 598335283 /nfs/dbraw/zinc/33/52/83/598335283.db2.gz IFSHJQAMLKAYGR-UHFFFAOYSA-N -1 3 396.407 0.712 20 0 GCADHM COc1cc2c(nn1)CCN(C[C@@H](O)COc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737055410 598341234 /nfs/dbraw/zinc/34/12/34/598341234.db2.gz NMPHTNHJKHGGSG-CQSZACIVSA-N -1 3 383.412 0.463 20 0 GCADHM COc1cc(C)nc(N2CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)n1 ZINC000737041507 598344155 /nfs/dbraw/zinc/34/41/55/598344155.db2.gz VRRZLVOFGZPMTB-UHFFFAOYSA-N -1 3 386.441 0.998 20 0 GCADHM COc1cc(C)nc(N2CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)n1 ZINC000737041507 598344158 /nfs/dbraw/zinc/34/41/58/598344158.db2.gz VRRZLVOFGZPMTB-UHFFFAOYSA-N -1 3 386.441 0.998 20 0 GCADHM O=c1ccccn1CCN1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000738379327 598349628 /nfs/dbraw/zinc/34/96/28/598349628.db2.gz FXBNQIABWXQMME-UHFFFAOYSA-N -1 3 383.431 0.985 20 0 GCADHM NC(=O)c1ccccc1OCC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737761875 598349667 /nfs/dbraw/zinc/34/96/67/598349667.db2.gz UNQNCBXGQSXHHK-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM NC(=O)c1ccccc1OCC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737761875 598349669 /nfs/dbraw/zinc/34/96/69/598349669.db2.gz UNQNCBXGQSXHHK-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM NC(=O)c1ccccc1OCC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737761266 598350145 /nfs/dbraw/zinc/35/01/45/598350145.db2.gz RYQAUXWTBZAIDT-UHFFFAOYSA-N -1 3 383.364 0.967 20 0 GCADHM O=c1ccccn1CCN1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000738381157 598350890 /nfs/dbraw/zinc/35/08/90/598350890.db2.gz WKWLQQRDSVFGGR-UHFFFAOYSA-N -1 3 383.431 0.985 20 0 GCADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000738389724 598353908 /nfs/dbraw/zinc/35/39/08/598353908.db2.gz ZNXBPWKLVDUZKR-NVXWUHKLSA-N -1 3 385.428 0.204 20 0 GCADHM O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737880841 598354283 /nfs/dbraw/zinc/35/42/83/598354283.db2.gz CRTRXWVWCOUYTL-INIZCTEOSA-N -1 3 382.428 0.080 20 0 GCADHM O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737880841 598354285 /nfs/dbraw/zinc/35/42/85/598354285.db2.gz CRTRXWVWCOUYTL-INIZCTEOSA-N -1 3 382.428 0.080 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@H]1C ZINC000736131799 598355571 /nfs/dbraw/zinc/35/55/71/598355571.db2.gz SCAFDONQZIWLBJ-NEPJUHHUSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1C ZINC000736131799 598355573 /nfs/dbraw/zinc/35/55/73/598355573.db2.gz SCAFDONQZIWLBJ-NEPJUHHUSA-N -1 3 378.458 0.935 20 0 GCADHM CNC(=O)C1(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)CCC1 ZINC000736872134 598360500 /nfs/dbraw/zinc/36/05/00/598360500.db2.gz YKURAZFORHUECG-UHFFFAOYSA-N -1 3 387.419 0.571 20 0 GCADHM CNC(=O)C1(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)CCC1 ZINC000736872134 598360502 /nfs/dbraw/zinc/36/05/02/598360502.db2.gz YKURAZFORHUECG-UHFFFAOYSA-N -1 3 387.419 0.571 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000737616070 598361940 /nfs/dbraw/zinc/36/19/40/598361940.db2.gz NMUCYGYBXPLKRS-UHFFFAOYSA-N -1 3 382.428 0.323 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000737616070 598361942 /nfs/dbraw/zinc/36/19/42/598361942.db2.gz NMUCYGYBXPLKRS-UHFFFAOYSA-N -1 3 382.428 0.323 20 0 GCADHM Cn1cc(CN2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000737600832 598362061 /nfs/dbraw/zinc/36/20/61/598362061.db2.gz ACGVTSJABAVTCU-UHFFFAOYSA-N -1 3 382.428 0.323 20 0 GCADHM Cn1cc(CN2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000737600832 598362063 /nfs/dbraw/zinc/36/20/63/598362063.db2.gz ACGVTSJABAVTCU-UHFFFAOYSA-N -1 3 382.428 0.323 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC(c2ncc[nH]2)CC1 ZINC000738078595 598362427 /nfs/dbraw/zinc/36/24/27/598362427.db2.gz SOHSQGGCEOJSHL-UHFFFAOYSA-N -1 3 382.432 0.986 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC(c2ncc[nH]2)CC1 ZINC000738078595 598362428 /nfs/dbraw/zinc/36/24/28/598362428.db2.gz SOHSQGGCEOJSHL-UHFFFAOYSA-N -1 3 382.432 0.986 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1nccn1C(F)F ZINC000737057872 598363592 /nfs/dbraw/zinc/36/35/92/598363592.db2.gz JWTDYYBFLCHUOB-UHFFFAOYSA-N -1 3 392.326 0.722 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1nccn1C(F)F ZINC000737057872 598363593 /nfs/dbraw/zinc/36/35/93/598363593.db2.gz JWTDYYBFLCHUOB-UHFFFAOYSA-N -1 3 392.326 0.722 20 0 GCADHM CC(C)C[C@@]1(C)NC(=O)N(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735796252 598365997 /nfs/dbraw/zinc/36/59/97/598365997.db2.gz YBEYDCLBAQDRGE-SCLBCKFNSA-N -1 3 388.428 0.963 20 0 GCADHM Cc1noc([C@H](C)N2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737535497 598367433 /nfs/dbraw/zinc/36/74/33/598367433.db2.gz YOSNYMGSEMNADE-LBPRGKRZSA-N -1 3 397.443 0.875 20 0 GCADHM Cc1noc([C@H](C)N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737535497 598367434 /nfs/dbraw/zinc/36/74/34/598367434.db2.gz YOSNYMGSEMNADE-LBPRGKRZSA-N -1 3 397.443 0.875 20 0 GCADHM O=C1NC2(CCCCC2)C(=O)N1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738317031 598369260 /nfs/dbraw/zinc/36/92/60/598369260.db2.gz YFROOHMQUOKHDO-ZDUSSCGKSA-N -1 3 386.412 0.861 20 0 GCADHM COCCN1CCC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737009317 598369915 /nfs/dbraw/zinc/36/99/15/598369915.db2.gz ZKGGSQBNLHZGFQ-NSHDSACASA-N -1 3 384.437 0.395 20 0 GCADHM COCCN1CCC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737009317 598369918 /nfs/dbraw/zinc/36/99/18/598369918.db2.gz ZKGGSQBNLHZGFQ-NSHDSACASA-N -1 3 384.437 0.395 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000737062673 598372284 /nfs/dbraw/zinc/37/22/84/598372284.db2.gz LICIJMNCZRGNRK-UHFFFAOYSA-N -1 3 397.443 0.959 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(Cc2nccn2C)CC1 ZINC000737062673 598372286 /nfs/dbraw/zinc/37/22/86/598372286.db2.gz LICIJMNCZRGNRK-UHFFFAOYSA-N -1 3 397.443 0.959 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737616258 598372788 /nfs/dbraw/zinc/37/27/88/598372788.db2.gz QVARDMMLFORXGZ-UHFFFAOYSA-N -1 3 381.444 0.628 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737616258 598372790 /nfs/dbraw/zinc/37/27/90/598372790.db2.gz QVARDMMLFORXGZ-UHFFFAOYSA-N -1 3 381.444 0.628 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737614875 598374112 /nfs/dbraw/zinc/37/41/12/598374112.db2.gz BSSWZECMDWYBQO-UHFFFAOYSA-N -1 3 399.434 0.767 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737614875 598374113 /nfs/dbraw/zinc/37/41/13/598374113.db2.gz BSSWZECMDWYBQO-UHFFFAOYSA-N -1 3 399.434 0.767 20 0 GCADHM CNC(=O)CN1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000736875260 598375629 /nfs/dbraw/zinc/37/56/29/598375629.db2.gz VOZDSOAKIYBIND-UHFFFAOYSA-N -1 3 389.464 0.319 20 0 GCADHM CNC(=O)CN1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000736875260 598375631 /nfs/dbraw/zinc/37/56/31/598375631.db2.gz VOZDSOAKIYBIND-UHFFFAOYSA-N -1 3 389.464 0.319 20 0 GCADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CN1CCn2c(nnc2C2CC2)C1 ZINC000738389087 598376007 /nfs/dbraw/zinc/37/60/07/598376007.db2.gz WIECTSXXMFVMGZ-AWEZNQCLSA-N -1 3 382.428 0.591 20 0 GCADHM COC(=O)CSCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736929966 598377113 /nfs/dbraw/zinc/37/71/13/598377113.db2.gz CFECIXZDRFTROM-UHFFFAOYSA-N -1 3 391.457 0.207 20 0 GCADHM COC(=O)CSCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736929966 598377115 /nfs/dbraw/zinc/37/71/15/598377115.db2.gz CFECIXZDRFTROM-UHFFFAOYSA-N -1 3 391.457 0.207 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000738195685 598382361 /nfs/dbraw/zinc/38/23/61/598382361.db2.gz PYDSLMPTYXTIMP-UHFFFAOYSA-N -1 3 380.336 0.932 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000738195685 598382363 /nfs/dbraw/zinc/38/23/63/598382363.db2.gz PYDSLMPTYXTIMP-UHFFFAOYSA-N -1 3 380.336 0.932 20 0 GCADHM Cc1nnc(CCNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)[nH]1 ZINC000737471541 598382882 /nfs/dbraw/zinc/38/28/82/598382882.db2.gz IXDYHKAONWJVAY-UHFFFAOYSA-N -1 3 395.431 0.244 20 0 GCADHM Cc1nnc(CCNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)[nH]1 ZINC000737471541 598382884 /nfs/dbraw/zinc/38/28/84/598382884.db2.gz IXDYHKAONWJVAY-UHFFFAOYSA-N -1 3 395.431 0.244 20 0 GCADHM CC(C)CNC(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735835759 598383865 /nfs/dbraw/zinc/38/38/65/598383865.db2.gz MWUAQWRRXQPUBS-CQSZACIVSA-N -1 3 389.485 0.952 20 0 GCADHM c1cnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)c(-c2nnn[n-]2)c1 ZINC000738445097 598386142 /nfs/dbraw/zinc/38/61/42/598386142.db2.gz DGDPOYHJBYBMEW-UHFFFAOYSA-N -1 3 378.444 0.979 20 0 GCADHM c1cnc(N2CCN(c3nccc(N4CCCC4)n3)CC2)c(-c2nn[n-]n2)c1 ZINC000738445097 598386144 /nfs/dbraw/zinc/38/61/44/598386144.db2.gz DGDPOYHJBYBMEW-UHFFFAOYSA-N -1 3 378.444 0.979 20 0 GCADHM c1cc(-c2nnn[n-]2)cc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n1 ZINC000738404371 598386187 /nfs/dbraw/zinc/38/61/87/598386187.db2.gz DBOACZHRKWENGO-UHFFFAOYSA-N -1 3 378.444 0.979 20 0 GCADHM c1cc(-c2nn[n-]n2)cc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)n1 ZINC000738404371 598386189 /nfs/dbraw/zinc/38/61/89/598386189.db2.gz DBOACZHRKWENGO-UHFFFAOYSA-N -1 3 378.444 0.979 20 0 GCADHM O=C(C1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1)N1CCOCC1 ZINC000737792015 598387154 /nfs/dbraw/zinc/38/71/54/598387154.db2.gz NGZUPHQKJRDULL-UHFFFAOYSA-N -1 3 377.836 0.990 20 0 GCADHM O=C(C1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1)N1CCOCC1 ZINC000737792015 598387156 /nfs/dbraw/zinc/38/71/56/598387156.db2.gz NGZUPHQKJRDULL-UHFFFAOYSA-N -1 3 377.836 0.990 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000735537072 598387817 /nfs/dbraw/zinc/38/78/17/598387817.db2.gz IMVIUUBTYJUAKG-JTQLQIEISA-N -1 3 376.852 0.704 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000735537072 598387818 /nfs/dbraw/zinc/38/78/18/598387818.db2.gz IMVIUUBTYJUAKG-JTQLQIEISA-N -1 3 376.852 0.704 20 0 GCADHM O=C([C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)N1CCOCC1 ZINC000737791429 598389211 /nfs/dbraw/zinc/38/92/11/598389211.db2.gz KMYIIWYTULYMFN-NSHDSACASA-N -1 3 377.836 0.990 20 0 GCADHM O=C([C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)N1CCOCC1 ZINC000737791429 598389212 /nfs/dbraw/zinc/38/92/12/598389212.db2.gz KMYIIWYTULYMFN-NSHDSACASA-N -1 3 377.836 0.990 20 0 GCADHM COC(=O)C1CCC(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000736909581 598391663 /nfs/dbraw/zinc/39/16/63/598391663.db2.gz JRJQUSMQJQOVMO-UHFFFAOYSA-N -1 3 388.432 0.705 20 0 GCADHM COC(=O)C1CCC(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000736909581 598391665 /nfs/dbraw/zinc/39/16/65/598391665.db2.gz JRJQUSMQJQOVMO-UHFFFAOYSA-N -1 3 388.432 0.705 20 0 GCADHM CN(C)[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000736760891 598398281 /nfs/dbraw/zinc/39/82/81/598398281.db2.gz RHYUVKZLASZVBM-CQSZACIVSA-N -1 3 383.412 0.609 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1nc2ccccc2[nH]1 ZINC000737890861 598399386 /nfs/dbraw/zinc/39/93/86/598399386.db2.gz ZQHLAIOSOIALTD-UHFFFAOYSA-N -1 3 376.380 0.789 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1nc2ccccc2[nH]1 ZINC000737890861 598399389 /nfs/dbraw/zinc/39/93/89/598399389.db2.gz ZQHLAIOSOIALTD-UHFFFAOYSA-N -1 3 376.380 0.789 20 0 GCADHM CNC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736879601 598399660 /nfs/dbraw/zinc/39/96/60/598399660.db2.gz WAGUJVLBSJXCBN-UHFFFAOYSA-N -1 3 394.395 0.987 20 0 GCADHM CNC(=O)Nc1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736879601 598399663 /nfs/dbraw/zinc/39/96/63/598399663.db2.gz WAGUJVLBSJXCBN-UHFFFAOYSA-N -1 3 394.395 0.987 20 0 GCADHM Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737255715 598399836 /nfs/dbraw/zinc/39/98/36/598399836.db2.gz DJVZKJSXPFWKEA-UHFFFAOYSA-N -1 3 382.428 0.616 20 0 GCADHM Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737255715 598399837 /nfs/dbraw/zinc/39/98/37/598399837.db2.gz DJVZKJSXPFWKEA-UHFFFAOYSA-N -1 3 382.428 0.616 20 0 GCADHM Cc1nn(C)c2ncc(NC(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000737510127 598400431 /nfs/dbraw/zinc/40/04/31/598400431.db2.gz GBUWRBOPGVPJFL-UHFFFAOYSA-N -1 3 391.395 0.825 20 0 GCADHM Cc1nn(C)c2ncc(NC(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000737510127 598400432 /nfs/dbraw/zinc/40/04/32/598400432.db2.gz GBUWRBOPGVPJFL-UHFFFAOYSA-N -1 3 391.395 0.825 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC(=O)OCc1ccccc1 ZINC000737889093 598400570 /nfs/dbraw/zinc/40/05/70/598400570.db2.gz JKHBCKPOXLINJX-UHFFFAOYSA-N -1 3 394.391 0.456 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC(=O)OCc1ccccc1 ZINC000737889093 598400572 /nfs/dbraw/zinc/40/05/72/598400572.db2.gz JKHBCKPOXLINJX-UHFFFAOYSA-N -1 3 394.391 0.456 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(F)(F)F)CC1 ZINC000738037651 598401053 /nfs/dbraw/zinc/40/10/53/598401053.db2.gz FRHZLAREDCXVHJ-UHFFFAOYSA-N -1 3 397.361 0.303 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(F)(F)F)CC1 ZINC000738037651 598401054 /nfs/dbraw/zinc/40/10/54/598401054.db2.gz FRHZLAREDCXVHJ-UHFFFAOYSA-N -1 3 397.361 0.303 20 0 GCADHM NC(=O)c1cccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737760841 598402101 /nfs/dbraw/zinc/40/21/01/598402101.db2.gz NGTUURCPXJSXCK-UHFFFAOYSA-N -1 3 379.380 0.012 20 0 GCADHM NC(=O)c1cccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737760841 598402103 /nfs/dbraw/zinc/40/21/03/598402103.db2.gz NGTUURCPXJSXCK-UHFFFAOYSA-N -1 3 379.380 0.012 20 0 GCADHM CC(=O)Nc1cccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735488843 598402237 /nfs/dbraw/zinc/40/22/37/598402237.db2.gz OCBXUHLAMSCJGG-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM CC(=O)Nc1cccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735488843 598402238 /nfs/dbraw/zinc/40/22/38/598402238.db2.gz OCBXUHLAMSCJGG-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCNC(=O)c1cccs1 ZINC000737889130 598403295 /nfs/dbraw/zinc/40/32/95/598403295.db2.gz KFDWSTZKDGMEPF-UHFFFAOYSA-N -1 3 399.436 0.204 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCNC(=O)c1cccs1 ZINC000737889130 598403296 /nfs/dbraw/zinc/40/32/96/598403296.db2.gz KFDWSTZKDGMEPF-UHFFFAOYSA-N -1 3 399.436 0.204 20 0 GCADHM Cc1noc([C@@H]2CCCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000737535201 598405260 /nfs/dbraw/zinc/40/52/60/598405260.db2.gz QHOPJMWPLHEQBL-CQSZACIVSA-N -1 3 396.411 0.694 20 0 GCADHM Cc1noc([C@@H]2CCCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737535201 598405262 /nfs/dbraw/zinc/40/52/62/598405262.db2.gz QHOPJMWPLHEQBL-CQSZACIVSA-N -1 3 396.411 0.694 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](O)c1cccc(F)c1 ZINC000737889131 598405468 /nfs/dbraw/zinc/40/54/68/598405468.db2.gz KFMVZZABERINRS-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)c1cccc(F)c1 ZINC000737889131 598405470 /nfs/dbraw/zinc/40/54/70/598405470.db2.gz KFMVZZABERINRS-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735685703 598405569 /nfs/dbraw/zinc/40/55/69/598405569.db2.gz YTYDBGCBXQKCIG-HNNXBMFYSA-N -1 3 399.455 0.360 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735685703 598405571 /nfs/dbraw/zinc/40/55/71/598405571.db2.gz YTYDBGCBXQKCIG-HNNXBMFYSA-N -1 3 399.455 0.360 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736414581 598405886 /nfs/dbraw/zinc/40/58/86/598405886.db2.gz YAHFZKAQBDWVQR-OAHLLOKOSA-N -1 3 399.455 0.504 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736414581 598405888 /nfs/dbraw/zinc/40/58/88/598405888.db2.gz YAHFZKAQBDWVQR-OAHLLOKOSA-N -1 3 399.455 0.504 20 0 GCADHM CNC(=O)C1CCC(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736872116 598406278 /nfs/dbraw/zinc/40/62/78/598406278.db2.gz XLZXHGIUBWLEFU-UHFFFAOYSA-N -1 3 385.428 0.018 20 0 GCADHM CNC(=O)C1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736872116 598406280 /nfs/dbraw/zinc/40/62/80/598406280.db2.gz XLZXHGIUBWLEFU-UHFFFAOYSA-N -1 3 385.428 0.018 20 0 GCADHM CN(C)c1cccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736778892 598406404 /nfs/dbraw/zinc/40/64/04/598406404.db2.gz IDUHPZLFWULCLI-UHFFFAOYSA-N -1 3 379.424 0.979 20 0 GCADHM CN(C)c1cccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736778892 598406405 /nfs/dbraw/zinc/40/64/05/598406405.db2.gz IDUHPZLFWULCLI-UHFFFAOYSA-N -1 3 379.424 0.979 20 0 GCADHM COCCN(C)CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000736991099 598408422 /nfs/dbraw/zinc/40/84/22/598408422.db2.gz XOBGFMQRNOKVKT-UHFFFAOYSA-N -1 3 377.449 0.211 20 0 GCADHM COCCN(C)CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736991099 598408423 /nfs/dbraw/zinc/40/84/23/598408423.db2.gz XOBGFMQRNOKVKT-UHFFFAOYSA-N -1 3 377.449 0.211 20 0 GCADHM CC(C)CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735811234 598409468 /nfs/dbraw/zinc/40/94/68/598409468.db2.gz FOFYPPRFEIYJBU-LBPRGKRZSA-N -1 3 388.428 0.691 20 0 GCADHM CC(C)CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735811234 598409470 /nfs/dbraw/zinc/40/94/70/598409470.db2.gz FOFYPPRFEIYJBU-LBPRGKRZSA-N -1 3 388.428 0.691 20 0 GCADHM C[C@H]1CCCN(C(=O)COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736269189 598410905 /nfs/dbraw/zinc/41/09/05/598410905.db2.gz ZULMGGFSCGXDBR-LBPRGKRZSA-N -1 3 386.412 0.398 20 0 GCADHM C[C@H]1CCCN(C(=O)COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736269189 598410906 /nfs/dbraw/zinc/41/09/06/598410906.db2.gz ZULMGGFSCGXDBR-LBPRGKRZSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1 ZINC000737905138 598412171 /nfs/dbraw/zinc/41/21/71/598412171.db2.gz MZJXAFOHFGIUOB-UHFFFAOYSA-N -1 3 380.364 0.778 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1 ZINC000737905138 598412172 /nfs/dbraw/zinc/41/21/72/598412172.db2.gz MZJXAFOHFGIUOB-UHFFFAOYSA-N -1 3 380.364 0.778 20 0 GCADHM Cc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1S(N)(=O)=O ZINC000737356993 598415559 /nfs/dbraw/zinc/41/55/59/598415559.db2.gz LRSDMFKWZCAISN-UHFFFAOYSA-N -1 3 387.425 0.873 20 0 GCADHM O=C(CN1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1)N1CCCC1 ZINC000737895176 598416267 /nfs/dbraw/zinc/41/62/67/598416267.db2.gz NCNPBKVCINQHSS-UHFFFAOYSA-N -1 3 398.471 0.045 20 0 GCADHM CN(CCN1CCOCC1)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736799765 598419501 /nfs/dbraw/zinc/41/95/01/598419501.db2.gz XYZSKYWMRIHOLW-UHFFFAOYSA-N -1 3 376.486 0.891 20 0 GCADHM CN(CCN1CCOCC1)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736799765 598419502 /nfs/dbraw/zinc/41/95/02/598419502.db2.gz XYZSKYWMRIHOLW-UHFFFAOYSA-N -1 3 376.486 0.891 20 0 GCADHM NC(=O)COc1ccc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737752444 598420274 /nfs/dbraw/zinc/42/02/74/598420274.db2.gz GNZBRUYTAZIXPD-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM NC(=O)COc1ccc(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737752444 598420276 /nfs/dbraw/zinc/42/02/76/598420276.db2.gz GNZBRUYTAZIXPD-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000736182871 598422599 /nfs/dbraw/zinc/42/25/99/598422599.db2.gz GYSPMXWEICVMHG-GFCCVEGCSA-N -1 3 391.395 0.926 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000736182871 598422602 /nfs/dbraw/zinc/42/26/02/598422602.db2.gz GYSPMXWEICVMHG-GFCCVEGCSA-N -1 3 391.395 0.926 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCc1nnnn1-c1ccccc1 ZINC000737925619 598423127 /nfs/dbraw/zinc/42/31/27/598423127.db2.gz WYCIXSVTJPJORA-UHFFFAOYSA-N -1 3 377.368 0.538 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCc1nnnn1-c1ccccc1 ZINC000737925619 598423129 /nfs/dbraw/zinc/42/31/29/598423129.db2.gz WYCIXSVTJPJORA-UHFFFAOYSA-N -1 3 377.368 0.538 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H](C(N)=O)C(C)C ZINC000737031709 598424336 /nfs/dbraw/zinc/42/43/36/598424336.db2.gz BYCSLUONZTYKCI-OAHLLOKOSA-N -1 3 376.417 0.660 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H](C(N)=O)C(C)C ZINC000737031709 598424337 /nfs/dbraw/zinc/42/43/37/598424337.db2.gz BYCSLUONZTYKCI-OAHLLOKOSA-N -1 3 376.417 0.660 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cn(C)c(C)n1 ZINC000737002195 598424646 /nfs/dbraw/zinc/42/46/46/598424646.db2.gz LYDKVVPIIDCBPO-UHFFFAOYSA-N -1 3 391.457 0.746 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1cn(C)c(C)n1 ZINC000737002195 598424647 /nfs/dbraw/zinc/42/46/47/598424647.db2.gz LYDKVVPIIDCBPO-UHFFFAOYSA-N -1 3 391.457 0.746 20 0 GCADHM Cn1cc(CN2CCCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000737601814 598424809 /nfs/dbraw/zinc/42/48/09/598424809.db2.gz LJLKSVWXOZEWGW-UHFFFAOYSA-N -1 3 396.455 0.714 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN(C[C@@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000737548350 598427715 /nfs/dbraw/zinc/42/77/15/598427715.db2.gz OTEAPCKTJLNFNJ-PWSUYJOCSA-N -1 3 377.449 0.402 20 0 GCADHM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C(N)=O ZINC000735733723 598428262 /nfs/dbraw/zinc/42/82/62/598428262.db2.gz JCRRBHFAUZHBRF-SNVBAGLBSA-N -1 3 392.363 0.674 20 0 GCADHM CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C(N)=O ZINC000735733723 598428263 /nfs/dbraw/zinc/42/82/63/598428263.db2.gz JCRRBHFAUZHBRF-SNVBAGLBSA-N -1 3 392.363 0.674 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C[C@@H](C)O1 ZINC000736282575 598431283 /nfs/dbraw/zinc/43/12/83/598431283.db2.gz YRWUJLIJDIXGEB-HZPDHXFCSA-N -1 3 399.499 0.620 20 0 GCADHM COc1cc(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)ccn1 ZINC000737045860 598432710 /nfs/dbraw/zinc/43/27/10/598432710.db2.gz QWRQVZOWQJMGCP-UHFFFAOYSA-N -1 3 391.395 0.968 20 0 GCADHM COc1cc(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)ccn1 ZINC000737045860 598432712 /nfs/dbraw/zinc/43/27/12/598432712.db2.gz QWRQVZOWQJMGCP-UHFFFAOYSA-N -1 3 391.395 0.968 20 0 GCADHM CN(CC(=O)N1CCCC1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736783968 598432851 /nfs/dbraw/zinc/43/28/51/598432851.db2.gz UXCXELKYUKKQGL-UHFFFAOYSA-N -1 3 395.427 0.329 20 0 GCADHM CN(CC(=O)N1CCCC1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736783968 598432854 /nfs/dbraw/zinc/43/28/54/598432854.db2.gz UXCXELKYUKKQGL-UHFFFAOYSA-N -1 3 395.427 0.329 20 0 GCADHM CCOC(=O)CCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736593186 598432914 /nfs/dbraw/zinc/43/29/14/598432914.db2.gz YUHKMVFVFJPIKS-UHFFFAOYSA-N -1 3 384.400 0.708 20 0 GCADHM CCOC(=O)CCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736593186 598432916 /nfs/dbraw/zinc/43/29/16/598432916.db2.gz YUHKMVFVFJPIKS-UHFFFAOYSA-N -1 3 384.400 0.708 20 0 GCADHM C[C@H](Cn1cccn1)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736077518 598433793 /nfs/dbraw/zinc/43/37/93/598433793.db2.gz FWPKBCLJCNWJLF-LLVKDONJSA-N -1 3 378.400 0.650 20 0 GCADHM C[C@H](Cn1cccn1)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736077518 598433794 /nfs/dbraw/zinc/43/37/94/598433794.db2.gz FWPKBCLJCNWJLF-LLVKDONJSA-N -1 3 378.400 0.650 20 0 GCADHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736237032 598434644 /nfs/dbraw/zinc/43/46/44/598434644.db2.gz NWFDKRWNVSGZAL-JQWIXIFHSA-N -1 3 395.427 0.361 20 0 GCADHM C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736237032 598434646 /nfs/dbraw/zinc/43/46/46/598434646.db2.gz NWFDKRWNVSGZAL-JQWIXIFHSA-N -1 3 395.427 0.361 20 0 GCADHM CCCCN(CC(N)=O)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736456411 598434650 /nfs/dbraw/zinc/43/46/50/598434650.db2.gz HQYQRKYLRNNTPH-UHFFFAOYSA-N -1 3 383.416 0.362 20 0 GCADHM CCCCN(CC(N)=O)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736456411 598434652 /nfs/dbraw/zinc/43/46/52/598434652.db2.gz HQYQRKYLRNNTPH-UHFFFAOYSA-N -1 3 383.416 0.362 20 0 GCADHM NC(=O)CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CCCC1 ZINC000737746589 598435245 /nfs/dbraw/zinc/43/52/45/598435245.db2.gz JCGJIIWQDJDUOQ-UHFFFAOYSA-N -1 3 395.427 0.505 20 0 GCADHM NC(=O)CN(C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CCCC1 ZINC000737746589 598435247 /nfs/dbraw/zinc/43/52/47/598435247.db2.gz JCGJIIWQDJDUOQ-UHFFFAOYSA-N -1 3 395.427 0.505 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCOCC(F)(F)F)cc1 ZINC000737778095 598435518 /nfs/dbraw/zinc/43/55/18/598435518.db2.gz WPTKNPOFMSFFTD-UHFFFAOYSA-N -1 3 396.333 0.943 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCOCC(F)(F)F)cc1 ZINC000737778095 598435519 /nfs/dbraw/zinc/43/55/19/598435519.db2.gz WPTKNPOFMSFFTD-UHFFFAOYSA-N -1 3 396.333 0.943 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736328748 598435621 /nfs/dbraw/zinc/43/56/21/598435621.db2.gz YFSUIUGWVMUOAS-WDEREUQCSA-N -1 3 397.443 0.668 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736328748 598435623 /nfs/dbraw/zinc/43/56/23/598435623.db2.gz YFSUIUGWVMUOAS-WDEREUQCSA-N -1 3 397.443 0.668 20 0 GCADHM COC(=O)C1(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCCC1 ZINC000736909153 598436316 /nfs/dbraw/zinc/43/63/16/598436316.db2.gz OAVLHJSMZMFVTC-UHFFFAOYSA-N -1 3 396.411 0.850 20 0 GCADHM COC(=O)C1(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCCC1 ZINC000736909153 598436318 /nfs/dbraw/zinc/43/63/18/598436318.db2.gz OAVLHJSMZMFVTC-UHFFFAOYSA-N -1 3 396.411 0.850 20 0 GCADHM COc1cccc(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000737132347 598436322 /nfs/dbraw/zinc/43/63/22/598436322.db2.gz KHKSTIXATBJPJK-UHFFFAOYSA-N -1 3 391.395 0.968 20 0 GCADHM COc1cccc(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000737132347 598436323 /nfs/dbraw/zinc/43/63/23/598436323.db2.gz KHKSTIXATBJPJK-UHFFFAOYSA-N -1 3 391.395 0.968 20 0 GCADHM CC(C)NC(=O)CNC(=S)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735884973 598439182 /nfs/dbraw/zinc/43/91/82/598439182.db2.gz SIEXNNDOAZWJOG-UHFFFAOYSA-N -1 3 388.501 0.388 20 0 GCADHM CC(C)NC(=O)CNC(=S)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735884973 598439183 /nfs/dbraw/zinc/43/91/83/598439183.db2.gz SIEXNNDOAZWJOG-UHFFFAOYSA-N -1 3 388.501 0.388 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCCCCC1 ZINC000737874162 598440308 /nfs/dbraw/zinc/44/03/08/598440308.db2.gz SERQSSZAAILCRF-UHFFFAOYSA-N -1 3 398.471 0.422 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCCCCC1 ZINC000737874162 598440309 /nfs/dbraw/zinc/44/03/09/598440309.db2.gz SERQSSZAAILCRF-UHFFFAOYSA-N -1 3 398.471 0.422 20 0 GCADHM Cc1cc(CN2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000737262837 598444884 /nfs/dbraw/zinc/44/48/84/598444884.db2.gz QDFAXCWVEGJHHO-UHFFFAOYSA-N -1 3 382.428 0.919 20 0 GCADHM Cc1cc(CN2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737262837 598444886 /nfs/dbraw/zinc/44/48/86/598444886.db2.gz QDFAXCWVEGJHHO-UHFFFAOYSA-N -1 3 382.428 0.919 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000735465417 598448127 /nfs/dbraw/zinc/44/81/27/598448127.db2.gz JVMWSTWUARXMFR-OAHLLOKOSA-N -1 3 398.471 0.605 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000735465417 598448128 /nfs/dbraw/zinc/44/81/28/598448128.db2.gz JVMWSTWUARXMFR-OAHLLOKOSA-N -1 3 398.471 0.605 20 0 GCADHM O=C(CCn1ccccc1=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737864561 598449355 /nfs/dbraw/zinc/44/93/55/598449355.db2.gz ZWXHTRWFRPIIAL-UHFFFAOYSA-N -1 3 394.439 0.599 20 0 GCADHM O=C(CCn1ccccc1=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737864561 598449357 /nfs/dbraw/zinc/44/93/57/598449357.db2.gz ZWXHTRWFRPIIAL-UHFFFAOYSA-N -1 3 394.439 0.599 20 0 GCADHM CS(=O)(=O)CCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737161957 598451107 /nfs/dbraw/zinc/45/11/07/598451107.db2.gz FWRUUFXEVUDYLZ-UHFFFAOYSA-N -1 3 388.409 0.937 20 0 GCADHM CS(=O)(=O)CCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737161957 598451109 /nfs/dbraw/zinc/45/11/09/598451109.db2.gz FWRUUFXEVUDYLZ-UHFFFAOYSA-N -1 3 388.409 0.937 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(C[C@H]2CCCCO2)CC1 ZINC000738346993 598451445 /nfs/dbraw/zinc/45/14/45/598451445.db2.gz BSWJBZPSQUIKBU-OAHLLOKOSA-N -1 3 392.485 0.742 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(C[C@H]2CCCCO2)CC1 ZINC000738346993 598451448 /nfs/dbraw/zinc/45/14/48/598451448.db2.gz BSWJBZPSQUIKBU-OAHLLOKOSA-N -1 3 392.485 0.742 20 0 GCADHM CNC(=O)[C@@H]1CN(CC(=O)Nc2sccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000736871418 598451778 /nfs/dbraw/zinc/45/17/78/598451778.db2.gz STJXGSUOCXJOBK-ZDUSSCGKSA-N -1 3 399.436 0.880 20 0 GCADHM CNC(=O)[C@@H]1CN(CC(=O)Nc2sccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000736871418 598451779 /nfs/dbraw/zinc/45/17/79/598451779.db2.gz STJXGSUOCXJOBK-ZDUSSCGKSA-N -1 3 399.436 0.880 20 0 GCADHM Cn1ncc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1C(F)F ZINC000737620760 598452236 /nfs/dbraw/zinc/45/22/36/598452236.db2.gz BXZHZVRBNZGBOJ-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM Cn1ncc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1C(F)F ZINC000737620760 598452237 /nfs/dbraw/zinc/45/22/37/598452237.db2.gz BXZHZVRBNZGBOJ-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM O=C(CCN1CCOCC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737845836 598457076 /nfs/dbraw/zinc/45/70/76/598457076.db2.gz AFIRJTREBWFSCR-UHFFFAOYSA-N -1 3 386.460 0.069 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736265447 598457438 /nfs/dbraw/zinc/45/74/38/598457438.db2.gz AVVPBIAWRWGUQE-CQSZACIVSA-N -1 3 398.471 0.421 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736265447 598457440 /nfs/dbraw/zinc/45/74/40/598457440.db2.gz AVVPBIAWRWGUQE-CQSZACIVSA-N -1 3 398.471 0.421 20 0 GCADHM COc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)ccc1OCC(N)=O ZINC000737044683 598459705 /nfs/dbraw/zinc/45/97/05/598459705.db2.gz CHBQMQNDSWTJNJ-UHFFFAOYSA-N -1 3 383.368 0.064 20 0 GCADHM COc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)ccc1OCC(N)=O ZINC000737044683 598459706 /nfs/dbraw/zinc/45/97/06/598459706.db2.gz CHBQMQNDSWTJNJ-UHFFFAOYSA-N -1 3 383.368 0.064 20 0 GCADHM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737169165 598460654 /nfs/dbraw/zinc/46/06/54/598460654.db2.gz OROVYDLNZPMFRS-GFCCVEGCSA-N -1 3 379.446 0.196 20 0 GCADHM CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737169165 598460656 /nfs/dbraw/zinc/46/06/56/598460656.db2.gz OROVYDLNZPMFRS-GFCCVEGCSA-N -1 3 379.446 0.196 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735536290 598463783 /nfs/dbraw/zinc/46/37/83/598463783.db2.gz CSIWPEJGRYJEDP-ZDUSSCGKSA-N -1 3 398.471 0.467 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735536290 598463784 /nfs/dbraw/zinc/46/37/84/598463784.db2.gz CSIWPEJGRYJEDP-ZDUSSCGKSA-N -1 3 398.471 0.467 20 0 GCADHM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000735964326 598463847 /nfs/dbraw/zinc/46/38/47/598463847.db2.gz YIQGBCQXFOUEPX-LBPRGKRZSA-N -1 3 392.489 0.359 20 0 GCADHM C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000735964326 598463849 /nfs/dbraw/zinc/46/38/49/598463849.db2.gz YIQGBCQXFOUEPX-LBPRGKRZSA-N -1 3 392.489 0.359 20 0 GCADHM O=C(CC(F)(F)F)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738026469 598463965 /nfs/dbraw/zinc/46/39/65/598463965.db2.gz SSQQRWBHXQYMPW-UHFFFAOYSA-N -1 3 383.334 0.935 20 0 GCADHM O=C(CC(F)(F)F)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738026469 598463966 /nfs/dbraw/zinc/46/39/66/598463966.db2.gz SSQQRWBHXQYMPW-UHFFFAOYSA-N -1 3 383.334 0.935 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNC(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000735465419 598465584 /nfs/dbraw/zinc/46/55/84/598465584.db2.gz JWEHSMRTEGSLPB-SREVYHEPSA-N -1 3 397.439 0.077 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNC(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000735465419 598465586 /nfs/dbraw/zinc/46/55/86/598465586.db2.gz JWEHSMRTEGSLPB-SREVYHEPSA-N -1 3 397.439 0.077 20 0 GCADHM CCOCCN(CC)CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736619432 598467252 /nfs/dbraw/zinc/46/72/52/598467252.db2.gz OYOUEYLUSOVVRY-SFHVURJKSA-N -1 3 387.444 0.950 20 0 GCADHM CCOCCN(CC)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736619432 598467254 /nfs/dbraw/zinc/46/72/54/598467254.db2.gz OYOUEYLUSOVVRY-SFHVURJKSA-N -1 3 387.444 0.950 20 0 GCADHM NC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)Cc1ccccc1Cl ZINC000737729650 598467871 /nfs/dbraw/zinc/46/78/71/598467871.db2.gz ACZNOTBCAOPOLG-GFCCVEGCSA-N -1 3 385.815 0.989 20 0 GCADHM NC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)Cc1ccccc1Cl ZINC000737729650 598467872 /nfs/dbraw/zinc/46/78/72/598467872.db2.gz ACZNOTBCAOPOLG-GFCCVEGCSA-N -1 3 385.815 0.989 20 0 GCADHM Cn1cc(NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ccc1=O ZINC000737610833 598468262 /nfs/dbraw/zinc/46/82/62/598468262.db2.gz RMTSJUFUYZLOSD-UHFFFAOYSA-N -1 3 395.427 0.751 20 0 GCADHM Cn1cc(NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ccc1=O ZINC000737610833 598468263 /nfs/dbraw/zinc/46/82/63/598468263.db2.gz RMTSJUFUYZLOSD-UHFFFAOYSA-N -1 3 395.427 0.751 20 0 GCADHM CC(=O)NCCCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735474505 598468961 /nfs/dbraw/zinc/46/89/61/598468961.db2.gz OXXZHNBRTJUQSS-UHFFFAOYSA-N -1 3 387.448 0.056 20 0 GCADHM CC(=O)NCCCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735474505 598468963 /nfs/dbraw/zinc/46/89/63/598468963.db2.gz OXXZHNBRTJUQSS-UHFFFAOYSA-N -1 3 387.448 0.056 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736808064 598470128 /nfs/dbraw/zinc/47/01/28/598470128.db2.gz ZMOKXTMHJCDUOM-UHFFFAOYSA-N -1 3 394.439 0.762 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736808064 598470129 /nfs/dbraw/zinc/47/01/29/598470129.db2.gz ZMOKXTMHJCDUOM-UHFFFAOYSA-N -1 3 394.439 0.762 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@@H]1CCCCNC1=O ZINC000738032029 598470194 /nfs/dbraw/zinc/47/01/94/598470194.db2.gz JJUALDZFZCERQL-CQSZACIVSA-N -1 3 399.459 0.198 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@@H]1CCCCNC1=O ZINC000738032029 598470196 /nfs/dbraw/zinc/47/01/96/598470196.db2.gz JJUALDZFZCERQL-CQSZACIVSA-N -1 3 399.459 0.198 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736805096 598470229 /nfs/dbraw/zinc/47/02/29/598470229.db2.gz AKHSNIGYNDPLDH-UHFFFAOYSA-N -1 3 394.439 0.762 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736805096 598470230 /nfs/dbraw/zinc/47/02/30/598470230.db2.gz AKHSNIGYNDPLDH-UHFFFAOYSA-N -1 3 394.439 0.762 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000735795555 598470580 /nfs/dbraw/zinc/47/05/80/598470580.db2.gz OLJWRIWKBFEPNR-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000735795555 598470582 /nfs/dbraw/zinc/47/05/82/598470582.db2.gz OLJWRIWKBFEPNR-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM O=C(NCCCn1cccn1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738075210 598471047 /nfs/dbraw/zinc/47/10/47/598471047.db2.gz LJLUVSVUJWGALP-UHFFFAOYSA-N -1 3 396.459 0.817 20 0 GCADHM O=C(NCCCn1cccn1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738075210 598471048 /nfs/dbraw/zinc/47/10/48/598471048.db2.gz LJLUVSVUJWGALP-UHFFFAOYSA-N -1 3 396.459 0.817 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735466092 598471286 /nfs/dbraw/zinc/47/12/86/598471286.db2.gz RGEDITVQCUKZNQ-UHFFFAOYSA-N -1 3 386.416 0.069 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735466092 598471288 /nfs/dbraw/zinc/47/12/88/598471288.db2.gz RGEDITVQCUKZNQ-UHFFFAOYSA-N -1 3 386.416 0.069 20 0 GCADHM CCCC[C@H](NC(=O)NCC)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000821044010 607358000 /nfs/dbraw/zinc/35/80/00/607358000.db2.gz WZLJJXCRUXLZHJ-NSHDSACASA-N -1 3 379.425 0.067 20 0 GCADHM CCCC[C@H](NC(=O)NCC)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000821044010 607358001 /nfs/dbraw/zinc/35/80/01/607358001.db2.gz WZLJJXCRUXLZHJ-NSHDSACASA-N -1 3 379.425 0.067 20 0 GCADHM CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(S(N)(=O)=O)c1 ZINC000736366121 598473554 /nfs/dbraw/zinc/47/35/54/598473554.db2.gz ZMDPHGFWAYSNFT-ZDUSSCGKSA-N -1 3 387.425 0.790 20 0 GCADHM CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(S(N)(=O)=O)c1 ZINC000736366121 598473555 /nfs/dbraw/zinc/47/35/55/598473555.db2.gz ZMDPHGFWAYSNFT-ZDUSSCGKSA-N -1 3 387.425 0.790 20 0 GCADHM O=C(COC[C@H]1CCCO1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737917463 598473812 /nfs/dbraw/zinc/47/38/12/598473812.db2.gz XZXPDMYUPVWHAQ-OAHLLOKOSA-N -1 3 387.444 0.542 20 0 GCADHM O=C(COC[C@H]1CCCO1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737917463 598473814 /nfs/dbraw/zinc/47/38/14/598473814.db2.gz XZXPDMYUPVWHAQ-OAHLLOKOSA-N -1 3 387.444 0.542 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC(Oc2ccncc2)C1 ZINC000738040077 598474851 /nfs/dbraw/zinc/47/48/51/598474851.db2.gz RRQPPPFYCPEWQY-UHFFFAOYSA-N -1 3 379.380 0.281 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC(Oc2ccncc2)C1 ZINC000738040077 598474852 /nfs/dbraw/zinc/47/48/52/598474852.db2.gz RRQPPPFYCPEWQY-UHFFFAOYSA-N -1 3 379.380 0.281 20 0 GCADHM O=C(COC(=O)c1ccccc1-n1cnnn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416356 607358076 /nfs/dbraw/zinc/35/80/76/607358076.db2.gz VNTSZQZDXOSDHT-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM O=C(COC(=O)c1ccccc1-n1cnnn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416356 607358078 /nfs/dbraw/zinc/35/80/78/607358078.db2.gz VNTSZQZDXOSDHT-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736770522 598477050 /nfs/dbraw/zinc/47/70/50/598477050.db2.gz MQQXBQNDXAOJBO-UHFFFAOYSA-N -1 3 388.409 0.869 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736770522 598477052 /nfs/dbraw/zinc/47/70/52/598477052.db2.gz MQQXBQNDXAOJBO-UHFFFAOYSA-N -1 3 388.409 0.869 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736271938 598479471 /nfs/dbraw/zinc/47/94/71/598479471.db2.gz PJFXSVBSHADCBR-CMPLNLGQSA-N -1 3 387.400 0.823 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736271938 598479473 /nfs/dbraw/zinc/47/94/73/598479473.db2.gz PJFXSVBSHADCBR-CMPLNLGQSA-N -1 3 387.400 0.823 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)NCCN1CCc2ccccc21 ZINC000737909163 598480086 /nfs/dbraw/zinc/48/00/86/598480086.db2.gz PDXLTMKIULYPNK-UHFFFAOYSA-N -1 3 393.407 0.597 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)NCCN1CCc2ccccc21 ZINC000737909163 598480088 /nfs/dbraw/zinc/48/00/88/598480088.db2.gz PDXLTMKIULYPNK-UHFFFAOYSA-N -1 3 393.407 0.597 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCC[C@@H](CO)C1 ZINC000738033192 598480562 /nfs/dbraw/zinc/48/05/62/598480562.db2.gz XCJCIWHZXMBGID-CYBMUJFWSA-N -1 3 386.460 0.644 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCC[C@@H](CO)C1 ZINC000738033192 598480564 /nfs/dbraw/zinc/48/05/64/598480564.db2.gz XCJCIWHZXMBGID-CYBMUJFWSA-N -1 3 386.460 0.644 20 0 GCADHM Cn1c(=O)c2cc(C(=O)OCc3cccc(-c4nnn[n-]4)c3)cnc2n(C)c1=O ZINC000737588879 598485228 /nfs/dbraw/zinc/48/52/28/598485228.db2.gz KTELCGQFSRXGGP-UHFFFAOYSA-N -1 3 393.363 0.169 20 0 GCADHM Cn1c(=O)c2cc(C(=O)OCc3cccc(-c4nn[n-]n4)c3)cnc2n(C)c1=O ZINC000737588879 598485231 /nfs/dbraw/zinc/48/52/31/598485231.db2.gz KTELCGQFSRXGGP-UHFFFAOYSA-N -1 3 393.363 0.169 20 0 GCADHM O=C(NCc1cocn1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738123358 598486082 /nfs/dbraw/zinc/48/60/82/598486082.db2.gz BWERNYVNRKWOFQ-UHFFFAOYSA-N -1 3 379.283 0.711 20 0 GCADHM O=C(NCc1cocn1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738123358 598486084 /nfs/dbraw/zinc/48/60/84/598486084.db2.gz BWERNYVNRKWOFQ-UHFFFAOYSA-N -1 3 379.283 0.711 20 0 GCADHM O=C(COC(=O)c1cccc(-n2cnnn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416266 607358357 /nfs/dbraw/zinc/35/83/57/607358357.db2.gz QJNVRVLXACXUPE-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM O=C(COC(=O)c1cccc(-n2cnnn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416266 607358358 /nfs/dbraw/zinc/35/83/58/607358358.db2.gz QJNVRVLXACXUPE-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM COCCN1C[C@@H](C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1=O ZINC000737007637 598488831 /nfs/dbraw/zinc/48/88/31/598488831.db2.gz OYNBBJDGEKYCCD-LBPRGKRZSA-N -1 3 375.433 0.857 20 0 GCADHM COCCN1C[C@@H](C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1=O ZINC000737007637 598488833 /nfs/dbraw/zinc/48/88/33/598488833.db2.gz OYNBBJDGEKYCCD-LBPRGKRZSA-N -1 3 375.433 0.857 20 0 GCADHM C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736222769 598494571 /nfs/dbraw/zinc/49/45/71/598494571.db2.gz KBNUVEMQUZJJSY-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736222769 598494572 /nfs/dbraw/zinc/49/45/72/598494572.db2.gz KBNUVEMQUZJJSY-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736224675 598494601 /nfs/dbraw/zinc/49/46/01/598494601.db2.gz UVFZGHAGFJRHRT-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736224675 598494602 /nfs/dbraw/zinc/49/46/02/598494602.db2.gz UVFZGHAGFJRHRT-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM O=C(CCN1CCCC1=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738303459 598499514 /nfs/dbraw/zinc/49/95/14/598499514.db2.gz QNUCHIWAQZMRGX-UHFFFAOYSA-N -1 3 387.419 0.667 20 0 GCADHM CN(CC(=O)NCCNc1ncccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736783100 598506555 /nfs/dbraw/zinc/50/65/55/598506555.db2.gz IIRGOEYNMOYQDK-UHFFFAOYSA-N -1 3 376.421 0.657 20 0 GCADHM CN(CC(=O)NCCNc1ncccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736783100 598506557 /nfs/dbraw/zinc/50/65/57/598506557.db2.gz IIRGOEYNMOYQDK-UHFFFAOYSA-N -1 3 376.421 0.657 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000736819195 598506714 /nfs/dbraw/zinc/50/67/14/598506714.db2.gz ADSOWBXCBXRUKK-MRXNPFEDSA-N -1 3 399.436 0.555 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000736819195 598506716 /nfs/dbraw/zinc/50/67/16/598506716.db2.gz ADSOWBXCBXRUKK-MRXNPFEDSA-N -1 3 399.436 0.555 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735457740 598506742 /nfs/dbraw/zinc/50/67/42/598506742.db2.gz DJGLRYMXYDMOOZ-UHFFFAOYSA-N -1 3 378.458 0.639 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735457740 598506743 /nfs/dbraw/zinc/50/67/43/598506743.db2.gz DJGLRYMXYDMOOZ-UHFFFAOYSA-N -1 3 378.458 0.639 20 0 GCADHM O=C(CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)N1CCc2ccccc21 ZINC000737895137 598508776 /nfs/dbraw/zinc/50/87/76/598508776.db2.gz MLJVVFXTRXYFSG-UHFFFAOYSA-N -1 3 398.448 0.875 20 0 GCADHM COC(=O)N1CCC[C@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736935610 598508929 /nfs/dbraw/zinc/50/89/29/598508929.db2.gz JCZKFNLJGABKJB-ZDUSSCGKSA-N -1 3 380.430 0.517 20 0 GCADHM COC(=O)N1CCC[C@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736935610 598508931 /nfs/dbraw/zinc/50/89/31/598508931.db2.gz JCZKFNLJGABKJB-ZDUSSCGKSA-N -1 3 380.430 0.517 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737744458 598509835 /nfs/dbraw/zinc/50/98/35/598509835.db2.gz KNJKEHVXXSOQKR-CQSZACIVSA-N -1 3 377.408 0.969 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737744458 598509837 /nfs/dbraw/zinc/50/98/37/598509837.db2.gz KNJKEHVXXSOQKR-CQSZACIVSA-N -1 3 377.408 0.969 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737742738 598510676 /nfs/dbraw/zinc/51/06/76/598510676.db2.gz GQAVCUCLKFXJHI-MRXNPFEDSA-N -1 3 398.448 0.781 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737742738 598510678 /nfs/dbraw/zinc/51/06/78/598510678.db2.gz GQAVCUCLKFXJHI-MRXNPFEDSA-N -1 3 398.448 0.781 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCS(=O)(=O)CC1 ZINC000737034385 598510749 /nfs/dbraw/zinc/51/07/49/598510749.db2.gz ZZOZKTOIZYIYHP-UHFFFAOYSA-N -1 3 395.441 0.291 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCS(=O)(=O)CC1 ZINC000737034385 598510751 /nfs/dbraw/zinc/51/07/51/598510751.db2.gz ZZOZKTOIZYIYHP-UHFFFAOYSA-N -1 3 395.441 0.291 20 0 GCADHM COC(=O)N[C@@H](CC(C)C)C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000736935689 598510762 /nfs/dbraw/zinc/51/07/62/598510762.db2.gz KIVRWIYKFOGSAI-LBPRGKRZSA-N -1 3 377.405 0.988 20 0 GCADHM COC(=O)N[C@@H](CC(C)C)C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000736935689 598510764 /nfs/dbraw/zinc/51/07/64/598510764.db2.gz KIVRWIYKFOGSAI-LBPRGKRZSA-N -1 3 377.405 0.988 20 0 GCADHM Cc1sc(=O)n(CC(=O)OCCNc2ncccc2-c2nnn[n-]2)c1C ZINC000737564409 598512955 /nfs/dbraw/zinc/51/29/55/598512955.db2.gz TXBXEXAUGJAHPT-UHFFFAOYSA-N -1 3 375.414 0.757 20 0 GCADHM Cc1sc(=O)n(CC(=O)OCCNc2ncccc2-c2nn[n-]n2)c1C ZINC000737564409 598512958 /nfs/dbraw/zinc/51/29/58/598512958.db2.gz TXBXEXAUGJAHPT-UHFFFAOYSA-N -1 3 375.414 0.757 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737756560 598513192 /nfs/dbraw/zinc/51/31/92/598513192.db2.gz WUVBCQWNBRMGCI-AWEZNQCLSA-N -1 3 384.421 0.468 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737756560 598513193 /nfs/dbraw/zinc/51/31/93/598513193.db2.gz WUVBCQWNBRMGCI-AWEZNQCLSA-N -1 3 384.421 0.468 20 0 GCADHM CN(C)S(=O)(=O)N(C)CCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736770732 598516070 /nfs/dbraw/zinc/51/60/70/598516070.db2.gz GCGICHKOPBWYCX-CMDGGOBGSA-N -1 3 380.430 0.161 20 0 GCADHM CN(C)S(=O)(=O)N(C)CCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736770732 598516071 /nfs/dbraw/zinc/51/60/71/598516071.db2.gz GCGICHKOPBWYCX-CMDGGOBGSA-N -1 3 380.430 0.161 20 0 GCADHM O=C(Cn1c(=O)onc1-c1cccnc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737980379 598523207 /nfs/dbraw/zinc/52/32/07/598523207.db2.gz DUZBCMXTRBYHKQ-UHFFFAOYSA-N -1 3 378.352 0.395 20 0 GCADHM O=C(Cn1c(=O)onc1-c1cccnc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737980379 598523209 /nfs/dbraw/zinc/52/32/09/598523209.db2.gz DUZBCMXTRBYHKQ-UHFFFAOYSA-N -1 3 378.352 0.395 20 0 GCADHM CNC(=O)CCN(C)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736870761 598524419 /nfs/dbraw/zinc/52/44/19/598524419.db2.gz LIFTZMUFHMTUNN-SECBINFHSA-N -1 3 377.474 0.812 20 0 GCADHM CNC(=O)CCN(C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736870761 598524421 /nfs/dbraw/zinc/52/44/21/598524421.db2.gz LIFTZMUFHMTUNN-SECBINFHSA-N -1 3 377.474 0.812 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1 ZINC000737619988 598526568 /nfs/dbraw/zinc/52/65/68/598526568.db2.gz ZDSNQWGVZCNUSD-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1 ZINC000737619988 598526569 /nfs/dbraw/zinc/52/65/69/598526569.db2.gz ZDSNQWGVZCNUSD-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM C[C@@H]1C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736241986 598528239 /nfs/dbraw/zinc/52/82/39/598528239.db2.gz YKORHSMCILODAZ-BXUZGUMPSA-N -1 3 391.457 0.291 20 0 GCADHM C[C@@H]1C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736241986 598528240 /nfs/dbraw/zinc/52/82/40/598528240.db2.gz YKORHSMCILODAZ-BXUZGUMPSA-N -1 3 391.457 0.291 20 0 GCADHM COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000033613640 598529221 /nfs/dbraw/zinc/52/92/21/598529221.db2.gz HJHOKWCNNASDAM-UHFFFAOYSA-N -1 3 394.457 0.030 20 0 GCADHM COCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000033613640 598529223 /nfs/dbraw/zinc/52/92/23/598529223.db2.gz HJHOKWCNNASDAM-UHFFFAOYSA-N -1 3 394.457 0.030 20 0 GCADHM c1nn(Cc2ccncc2)cc1NC[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738413688 598529480 /nfs/dbraw/zinc/52/94/80/598529480.db2.gz UUUMJMKIHIVUNG-ZDUSSCGKSA-N -1 3 377.416 0.857 20 0 GCADHM c1nn(Cc2ccncc2)cc1NC[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738413688 598529482 /nfs/dbraw/zinc/52/94/82/598529482.db2.gz UUUMJMKIHIVUNG-ZDUSSCGKSA-N -1 3 377.416 0.857 20 0 GCADHM O=C(C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000737791273 598530155 /nfs/dbraw/zinc/53/01/55/598530155.db2.gz JBRRFLACPYZUQO-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM O=C(C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000737791273 598530156 /nfs/dbraw/zinc/53/01/56/598530156.db2.gz JBRRFLACPYZUQO-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1C1OCCO1 ZINC000738040094 598530777 /nfs/dbraw/zinc/53/07/77/598530777.db2.gz SGERKZDJEQVFCR-CQSZACIVSA-N -1 3 386.412 0.351 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1C1OCCO1 ZINC000738040094 598530779 /nfs/dbraw/zinc/53/07/79/598530779.db2.gz SGERKZDJEQVFCR-CQSZACIVSA-N -1 3 386.412 0.351 20 0 GCADHM CC(C)C(=O)N1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735685027 598535533 /nfs/dbraw/zinc/53/55/33/598535533.db2.gz ZAGUOJQYGJEYRB-UHFFFAOYSA-N -1 3 385.428 0.522 20 0 GCADHM CC(C)C(=O)N1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735685027 598535535 /nfs/dbraw/zinc/53/55/35/598535535.db2.gz ZAGUOJQYGJEYRB-UHFFFAOYSA-N -1 3 385.428 0.522 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)COCC(=O)NCc1cccnc1 ZINC000737290721 598536170 /nfs/dbraw/zinc/53/61/70/598536170.db2.gz FTAMBDOJKMFOOS-UHFFFAOYSA-N -1 3 381.396 0.842 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)COCC(=O)NCc1cccnc1 ZINC000737290721 598536172 /nfs/dbraw/zinc/53/61/72/598536172.db2.gz FTAMBDOJKMFOOS-UHFFFAOYSA-N -1 3 381.396 0.842 20 0 GCADHM COCCN(CCOc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000736994123 598537391 /nfs/dbraw/zinc/53/73/91/598537391.db2.gz FVZOYWDOITZIOJ-CYBMUJFWSA-N -1 3 381.458 0.381 20 0 GCADHM COCCN(CCOc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000736994123 598537400 /nfs/dbraw/zinc/53/74/00/598537400.db2.gz FVZOYWDOITZIOJ-CYBMUJFWSA-N -1 3 381.458 0.381 20 0 GCADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCC(=O)NC2CCOCC2)n1 ZINC000736602722 598537693 /nfs/dbraw/zinc/53/76/93/598537693.db2.gz MAORLKWTWCELJJ-UHFFFAOYSA-N -1 3 392.441 0.826 20 0 GCADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCC(=O)NC2CCOCC2)n1 ZINC000736602722 598537696 /nfs/dbraw/zinc/53/76/96/598537696.db2.gz MAORLKWTWCELJJ-UHFFFAOYSA-N -1 3 392.441 0.826 20 0 GCADHM Clc1cc(-c2nnn[n-]2)cnc1N1CCN(c2ccc3nncn3n2)CC1 ZINC000737558968 598545695 /nfs/dbraw/zinc/54/56/95/598545695.db2.gz UOENQGTUBKKVFE-UHFFFAOYSA-N -1 3 383.807 0.679 20 0 GCADHM Clc1cc(-c2nn[n-]n2)cnc1N1CCN(c2ccc3nncn3n2)CC1 ZINC000737558968 598545697 /nfs/dbraw/zinc/54/56/97/598545697.db2.gz UOENQGTUBKKVFE-UHFFFAOYSA-N -1 3 383.807 0.679 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735623745 598549081 /nfs/dbraw/zinc/54/90/81/598549081.db2.gz PNBFJCDPIAOUIU-UHFFFAOYSA-N -1 3 397.443 0.669 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735623745 598549083 /nfs/dbraw/zinc/54/90/83/598549083.db2.gz PNBFJCDPIAOUIU-UHFFFAOYSA-N -1 3 397.443 0.669 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(CC(C)(C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000737552387 598553119 /nfs/dbraw/zinc/55/31/19/598553119.db2.gz OKHDJURBCVEYHC-UHFFFAOYSA-N -1 3 377.449 0.404 20 0 GCADHM O=C(CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)NC1CCOCC1 ZINC000737882524 598553229 /nfs/dbraw/zinc/55/32/29/598553229.db2.gz KJVJDVZCAAQEIX-UHFFFAOYSA-N -1 3 389.435 0.423 20 0 GCADHM O=C(CN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)NC1CCOCC1 ZINC000737882524 598553231 /nfs/dbraw/zinc/55/32/31/598553231.db2.gz KJVJDVZCAAQEIX-UHFFFAOYSA-N -1 3 389.435 0.423 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)c(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000738340489 598558764 /nfs/dbraw/zinc/55/87/64/598558764.db2.gz VLKZRJZQTLAZSL-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)c(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000738340489 598558765 /nfs/dbraw/zinc/55/87/65/598558765.db2.gz VLKZRJZQTLAZSL-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)c(F)c1)c1cccc(-n2cnnn2)c1 ZINC000738340516 598559615 /nfs/dbraw/zinc/55/96/15/598559615.db2.gz WRWHBWVLEOBRPG-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)c(F)c1)c1cccc(-n2cnnn2)c1 ZINC000738340516 598559616 /nfs/dbraw/zinc/55/96/16/598559616.db2.gz WRWHBWVLEOBRPG-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM C[C@H]1COCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736292445 598563467 /nfs/dbraw/zinc/56/34/67/598563467.db2.gz IYJPUDFQSLBUCL-QMMMGPOBSA-N -1 3 382.327 0.654 20 0 GCADHM C[C@H]1COCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736292445 598563469 /nfs/dbraw/zinc/56/34/69/598563469.db2.gz IYJPUDFQSLBUCL-QMMMGPOBSA-N -1 3 382.327 0.654 20 0 GCADHM CC(=O)NCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735472836 598563474 /nfs/dbraw/zinc/56/34/74/598563474.db2.gz AZZQFSZRDMWSOZ-UHFFFAOYSA-N -1 3 397.342 0.049 20 0 GCADHM CC(=O)NCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735472836 598563476 /nfs/dbraw/zinc/56/34/76/598563476.db2.gz AZZQFSZRDMWSOZ-UHFFFAOYSA-N -1 3 397.342 0.049 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N1CCC[C@@H](O)C1 ZINC000738139771 598564298 /nfs/dbraw/zinc/56/42/98/598564298.db2.gz PNOGWHYSKSSYJR-SECBINFHSA-N -1 3 382.327 0.390 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N1CCC[C@@H](O)C1 ZINC000738139771 598564299 /nfs/dbraw/zinc/56/42/99/598564299.db2.gz PNOGWHYSKSSYJR-SECBINFHSA-N -1 3 382.327 0.390 20 0 GCADHM NC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000737757804 598564363 /nfs/dbraw/zinc/56/43/63/598564363.db2.gz AVKZQKPCIUHTII-MRXNPFEDSA-N -1 3 398.471 0.302 20 0 GCADHM O=C([C@@H]1CCCN(c2nc3ccccn3c2-c2nnn[n-]2)C1)N1CCOCC1 ZINC000737790655 598566617 /nfs/dbraw/zinc/56/66/17/598566617.db2.gz GPNUSAIHOGQPOY-CYBMUJFWSA-N -1 3 382.428 0.590 20 0 GCADHM O=C([C@@H]1CCCN(c2nc3ccccn3c2-c2nn[n-]n2)C1)N1CCOCC1 ZINC000737790655 598566618 /nfs/dbraw/zinc/56/66/18/598566618.db2.gz GPNUSAIHOGQPOY-CYBMUJFWSA-N -1 3 382.428 0.590 20 0 GCADHM C[C@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2sccc2-c2nnn[n-]2)C1=O ZINC000736228711 598568967 /nfs/dbraw/zinc/56/89/67/598568967.db2.gz JGVULMNPKLZSGF-MRXNPFEDSA-N -1 3 398.408 0.729 20 0 GCADHM C[C@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2sccc2-c2nn[n-]n2)C1=O ZINC000736228711 598568969 /nfs/dbraw/zinc/56/89/69/598568969.db2.gz JGVULMNPKLZSGF-MRXNPFEDSA-N -1 3 398.408 0.729 20 0 GCADHM C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736229612 598569303 /nfs/dbraw/zinc/56/93/03/598569303.db2.gz OLVARTLJZNSHOJ-SFHVURJKSA-N -1 3 392.379 0.667 20 0 GCADHM C[C@@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736229612 598569305 /nfs/dbraw/zinc/56/93/05/598569305.db2.gz OLVARTLJZNSHOJ-SFHVURJKSA-N -1 3 392.379 0.667 20 0 GCADHM Cc1cc(C)n2nc(C(=O)OCC(=O)c3cccc(-c4nnn[n-]4)c3)nc2n1 ZINC000826265548 607359116 /nfs/dbraw/zinc/35/91/16/607359116.db2.gz DGPFSWNASJBHAQ-UHFFFAOYSA-N -1 3 378.352 0.961 20 0 GCADHM Cc1cc(C)n2nc(C(=O)OCC(=O)c3cccc(-c4nn[n-]n4)c3)nc2n1 ZINC000826265548 607359118 /nfs/dbraw/zinc/35/91/18/607359118.db2.gz DGPFSWNASJBHAQ-UHFFFAOYSA-N -1 3 378.352 0.961 20 0 GCADHM CN(C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736733755 598577293 /nfs/dbraw/zinc/57/72/93/598577293.db2.gz XZJVHBCSSCLUFW-HUUCEWRRSA-N -1 3 390.469 0.481 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(C)c(C)nn(C)c1=O ZINC000737003075 598577350 /nfs/dbraw/zinc/57/73/50/598577350.db2.gz SILUPAZBLXRAEZ-UHFFFAOYSA-N -1 3 397.439 0.866 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(C)c(C)nn(C)c1=O ZINC000737003075 598577351 /nfs/dbraw/zinc/57/73/51/598577351.db2.gz SILUPAZBLXRAEZ-UHFFFAOYSA-N -1 3 397.439 0.866 20 0 GCADHM CN(C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000736733756 598577433 /nfs/dbraw/zinc/57/74/33/598577433.db2.gz XZJVHBCSSCLUFW-LSDHHAIUSA-N -1 3 390.469 0.481 20 0 GCADHM CN(CC(=O)N1CCCC1)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736783448 598579670 /nfs/dbraw/zinc/57/96/70/598579670.db2.gz TYJYMFKYZYBMAC-INIZCTEOSA-N -1 3 383.456 0.916 20 0 GCADHM COC(=O)Cn1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736932328 598579699 /nfs/dbraw/zinc/57/96/99/598579699.db2.gz KJVPTLLXQONUIQ-CQSZACIVSA-N -1 3 396.411 0.844 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737490781 598579895 /nfs/dbraw/zinc/57/98/95/598579895.db2.gz WYZHYUWCXZGYAM-GOEBONIOSA-N -1 3 393.455 0.867 20 0 GCADHM C[C@H](COC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(F)(F)F ZINC000824440705 607361912 /nfs/dbraw/zinc/36/19/12/607361912.db2.gz IXARGXQSRUKHBE-MRVPVSSYSA-N -1 3 393.347 0.887 20 0 GCADHM C[C@H](COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(F)(F)F ZINC000824440705 607361914 /nfs/dbraw/zinc/36/19/14/607361914.db2.gz IXARGXQSRUKHBE-MRVPVSSYSA-N -1 3 393.347 0.887 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735475916 598585428 /nfs/dbraw/zinc/58/54/28/598585428.db2.gz RQJQRLDRQYWPGY-NOZJJQNGSA-N -1 3 389.441 0.231 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735475916 598585429 /nfs/dbraw/zinc/58/54/29/598585429.db2.gz RQJQRLDRQYWPGY-NOZJJQNGSA-N -1 3 389.441 0.231 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735475919 598585453 /nfs/dbraw/zinc/58/54/53/598585453.db2.gz RQJQRLDRQYWPGY-RNCFNFMXSA-N -1 3 389.441 0.231 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735475919 598585455 /nfs/dbraw/zinc/58/54/55/598585455.db2.gz RQJQRLDRQYWPGY-RNCFNFMXSA-N -1 3 389.441 0.231 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735475923 598585561 /nfs/dbraw/zinc/58/55/61/598585561.db2.gz RQJQRLDRQYWPGY-ZANVPECISA-N -1 3 389.441 0.231 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735475923 598585562 /nfs/dbraw/zinc/58/55/62/598585562.db2.gz RQJQRLDRQYWPGY-ZANVPECISA-N -1 3 389.441 0.231 20 0 GCADHM CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736576713 598589085 /nfs/dbraw/zinc/58/90/85/598589085.db2.gz ZNKQCFVYQUIXBT-MRXNPFEDSA-N -1 3 398.471 0.709 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NCCS(=O)(=O)NCC1CCC1 ZINC000737963186 598591341 /nfs/dbraw/zinc/59/13/41/598591341.db2.gz SHKRQFZSKAJWAD-UHFFFAOYSA-N -1 3 378.458 0.245 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCCS(=O)(=O)NCC1CCC1 ZINC000737963186 598591343 /nfs/dbraw/zinc/59/13/43/598591343.db2.gz SHKRQFZSKAJWAD-UHFFFAOYSA-N -1 3 378.458 0.245 20 0 GCADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NCCS(=O)(=O)NCC1CCC1 ZINC000737854109 598591461 /nfs/dbraw/zinc/59/14/61/598591461.db2.gz REGMUTARKFEVEQ-UHFFFAOYSA-N -1 3 392.485 0.635 20 0 GCADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NCCS(=O)(=O)NCC1CCC1 ZINC000737854109 598591463 /nfs/dbraw/zinc/59/14/63/598591463.db2.gz REGMUTARKFEVEQ-UHFFFAOYSA-N -1 3 392.485 0.635 20 0 GCADHM CS(=O)(=O)CCN1CCC(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000737162634 598592865 /nfs/dbraw/zinc/59/28/65/598592865.db2.gz NWNYMNAJVMBGJV-UHFFFAOYSA-N -1 3 385.881 0.836 20 0 GCADHM CS(=O)(=O)CCN1CCC(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737162634 598592867 /nfs/dbraw/zinc/59/28/67/598592867.db2.gz NWNYMNAJVMBGJV-UHFFFAOYSA-N -1 3 385.881 0.836 20 0 GCADHM O=C(NCCc1nnc2n1CCC2)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738094520 598595593 /nfs/dbraw/zinc/59/55/93/598595593.db2.gz JOKYYBXNXMPMBU-HNNXBMFYSA-N -1 3 393.455 0.732 20 0 GCADHM O=S(=O)(C[C@H]1CCOC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738316500 598595785 /nfs/dbraw/zinc/59/57/85/598595785.db2.gz BVNAPNYLJYRPGN-LBPRGKRZSA-N -1 3 393.473 0.186 20 0 GCADHM O=S(=O)(C[C@H]1CCOC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738316500 598595786 /nfs/dbraw/zinc/59/57/86/598595786.db2.gz BVNAPNYLJYRPGN-LBPRGKRZSA-N -1 3 393.473 0.186 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738320866 598596469 /nfs/dbraw/zinc/59/64/69/598596469.db2.gz YWXXTNLTYZZPOM-GFCCVEGCSA-N -1 3 396.448 0.494 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738320866 598596471 /nfs/dbraw/zinc/59/64/71/598596471.db2.gz YWXXTNLTYZZPOM-GFCCVEGCSA-N -1 3 396.448 0.494 20 0 GCADHM CN(CCS(C)(=O)=O)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736804775 598597624 /nfs/dbraw/zinc/59/76/24/598597624.db2.gz VJAAORDJHJDDRW-CQSZACIVSA-N -1 3 378.458 0.339 20 0 GCADHM C[C@@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736154798 598598934 /nfs/dbraw/zinc/59/89/34/598598934.db2.gz YENXXHXYPBSSKB-SSDOTTSWSA-N -1 3 378.776 0.656 20 0 GCADHM C[C@@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736154798 598598936 /nfs/dbraw/zinc/59/89/36/598598936.db2.gz YENXXHXYPBSSKB-SSDOTTSWSA-N -1 3 378.776 0.656 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000735622524 598599135 /nfs/dbraw/zinc/59/91/35/598599135.db2.gz AQUYSQQFEXNGQX-UHFFFAOYSA-N -1 3 383.430 0.507 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000735622524 598599136 /nfs/dbraw/zinc/59/91/36/598599136.db2.gz AQUYSQQFEXNGQX-UHFFFAOYSA-N -1 3 383.430 0.507 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735623781 598599344 /nfs/dbraw/zinc/59/93/44/598599344.db2.gz QUYCXDQTDYBTBA-UHFFFAOYSA-N -1 3 383.430 0.507 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736578437 598600709 /nfs/dbraw/zinc/60/07/09/598600709.db2.gz UXUVVKMPGGLZRN-UHFFFAOYSA-N -1 3 395.489 0.726 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736578437 598600712 /nfs/dbraw/zinc/60/07/12/598600712.db2.gz UXUVVKMPGGLZRN-UHFFFAOYSA-N -1 3 395.489 0.726 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000738152454 598601947 /nfs/dbraw/zinc/60/19/47/598601947.db2.gz UGIABDZMRAZBOQ-HNNXBMFYSA-N -1 3 391.391 0.727 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000738152454 598601948 /nfs/dbraw/zinc/60/19/48/598601948.db2.gz UGIABDZMRAZBOQ-HNNXBMFYSA-N -1 3 391.391 0.727 20 0 GCADHM COC(=O)c1ccc(CCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736952237 598602615 /nfs/dbraw/zinc/60/26/15/598602615.db2.gz VTUJRMQCADTYAE-UHFFFAOYSA-N -1 3 385.384 0.608 20 0 GCADHM COC(=O)c1ccc(CCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736952237 598602617 /nfs/dbraw/zinc/60/26/17/598602617.db2.gz VTUJRMQCADTYAE-UHFFFAOYSA-N -1 3 385.384 0.608 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000737769981 598603007 /nfs/dbraw/zinc/60/30/07/598603007.db2.gz DVLGTTRIGRWWLV-UHFFFAOYSA-N -1 3 397.351 0.374 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000737769981 598603009 /nfs/dbraw/zinc/60/30/09/598603009.db2.gz DVLGTTRIGRWWLV-UHFFFAOYSA-N -1 3 397.351 0.374 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000737774632 598603971 /nfs/dbraw/zinc/60/39/71/598603971.db2.gz UFMWMGJTFBEMPV-UHFFFAOYSA-N -1 3 383.347 0.827 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000737774632 598603972 /nfs/dbraw/zinc/60/39/72/598603972.db2.gz UFMWMGJTFBEMPV-UHFFFAOYSA-N -1 3 383.347 0.827 20 0 GCADHM CC(C)(C)c1noc(CCCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)n1 ZINC000735655542 598604895 /nfs/dbraw/zinc/60/48/95/598604895.db2.gz PWAMVOXYOAZBNX-UHFFFAOYSA-N -1 3 389.420 0.892 20 0 GCADHM CC(C)(C)c1noc(CCCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)n1 ZINC000735655542 598604897 /nfs/dbraw/zinc/60/48/97/598604897.db2.gz PWAMVOXYOAZBNX-UHFFFAOYSA-N -1 3 389.420 0.892 20 0 GCADHM Cc1ccc(N2C[C@H](C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)CC2=O)cc1 ZINC000737353837 598605385 /nfs/dbraw/zinc/60/53/85/598605385.db2.gz XQZKEIWVRTWAGH-GFCCVEGCSA-N -1 3 396.411 0.550 20 0 GCADHM Cc1ccc(N2C[C@H](C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)CC2=O)cc1 ZINC000737353837 598605386 /nfs/dbraw/zinc/60/53/86/598605386.db2.gz XQZKEIWVRTWAGH-GFCCVEGCSA-N -1 3 396.411 0.550 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CN1c2ccccc2OCCC1=O ZINC000737770061 598606044 /nfs/dbraw/zinc/60/60/44/598606044.db2.gz GTXJFEHMUDBZDT-UHFFFAOYSA-N -1 3 398.383 0.004 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CN1c2ccccc2OCCC1=O ZINC000737770061 598606045 /nfs/dbraw/zinc/60/60/45/598606045.db2.gz GTXJFEHMUDBZDT-UHFFFAOYSA-N -1 3 398.383 0.004 20 0 GCADHM Cn1c2ccc(NC(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2oc1=O ZINC000737588398 598606149 /nfs/dbraw/zinc/60/61/49/598606149.db2.gz FSWMCSWDTIALDU-UHFFFAOYSA-N -1 3 393.363 0.680 20 0 GCADHM Cn1c2ccc(NC(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2oc1=O ZINC000737588398 598606150 /nfs/dbraw/zinc/60/61/50/598606150.db2.gz FSWMCSWDTIALDU-UHFFFAOYSA-N -1 3 393.363 0.680 20 0 GCADHM Cc1cnn(-c2ccc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)cc2)c1 ZINC000737445273 598606379 /nfs/dbraw/zinc/60/63/79/598606379.db2.gz RMNGXSIBKVYCRU-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM Cc1cnn(-c2ccc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)cc2)c1 ZINC000737445273 598606381 /nfs/dbraw/zinc/60/63/81/598606381.db2.gz RMNGXSIBKVYCRU-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM CCCCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736439119 598607153 /nfs/dbraw/zinc/60/71/53/598607153.db2.gz NPBCMKNNDXNEOR-UHFFFAOYSA-N -1 3 378.458 0.890 20 0 GCADHM CCCCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736439119 598607155 /nfs/dbraw/zinc/60/71/55/598607155.db2.gz NPBCMKNNDXNEOR-UHFFFAOYSA-N -1 3 378.458 0.890 20 0 GCADHM C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736233957 598607457 /nfs/dbraw/zinc/60/74/57/598607457.db2.gz HIXJBIZFESPTKS-RISCZKNCSA-N -1 3 376.442 0.356 20 0 GCADHM C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736233957 598607459 /nfs/dbraw/zinc/60/74/59/598607459.db2.gz HIXJBIZFESPTKS-RISCZKNCSA-N -1 3 376.442 0.356 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(Cn2cccn2)cc1 ZINC000737769764 598607995 /nfs/dbraw/zinc/60/79/95/598607995.db2.gz DAACTOMIAHCWAC-UHFFFAOYSA-N -1 3 379.384 0.747 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(Cn2cccn2)cc1 ZINC000737769764 598607997 /nfs/dbraw/zinc/60/79/97/598607997.db2.gz DAACTOMIAHCWAC-UHFFFAOYSA-N -1 3 379.384 0.747 20 0 GCADHM O=C(C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)N1CCC1 ZINC000737789339 598614249 /nfs/dbraw/zinc/61/42/49/598614249.db2.gz CHOPVHHVGYZZSS-UHFFFAOYSA-N -1 3 376.442 0.500 20 0 GCADHM O=C(C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1)N1CCC1 ZINC000737789339 598614251 /nfs/dbraw/zinc/61/42/51/598614251.db2.gz CHOPVHHVGYZZSS-UHFFFAOYSA-N -1 3 376.442 0.500 20 0 GCADHM O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000738320214 598614735 /nfs/dbraw/zinc/61/47/35/598614735.db2.gz RXWAWZYQQRNQET-QMMMGPOBSA-N -1 3 377.304 0.479 20 0 GCADHM O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000738320214 598614737 /nfs/dbraw/zinc/61/47/37/598614737.db2.gz RXWAWZYQQRNQET-QMMMGPOBSA-N -1 3 377.304 0.479 20 0 GCADHM CC(=O)N[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000735473633 598615236 /nfs/dbraw/zinc/61/52/36/598615236.db2.gz CFUHYWHGQPVTAQ-DZGCQCFKSA-N -1 3 383.412 0.099 20 0 GCADHM CC(=O)N[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000735473633 598615238 /nfs/dbraw/zinc/61/52/38/598615238.db2.gz CFUHYWHGQPVTAQ-DZGCQCFKSA-N -1 3 383.412 0.099 20 0 GCADHM Cc1cc(C)n2nc(C(=O)Nc3nc4n(c3-c3nnn[n-]3)CCS4)nc2n1 ZINC000737255678 598615544 /nfs/dbraw/zinc/61/55/44/598615544.db2.gz CBZKLSBWIPBFBG-UHFFFAOYSA-N -1 3 383.401 0.476 20 0 GCADHM Cc1cc(C)n2nc(C(=O)Nc3nc4n(c3-c3nn[n-]n3)CCS4)nc2n1 ZINC000737255678 598615546 /nfs/dbraw/zinc/61/55/46/598615546.db2.gz CBZKLSBWIPBFBG-UHFFFAOYSA-N -1 3 383.401 0.476 20 0 GCADHM O=C(CCNC(=O)Cc1ccccc1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737968492 598616164 /nfs/dbraw/zinc/61/61/64/598616164.db2.gz HRDLAGYIFPUUNA-UHFFFAOYSA-N -1 3 398.452 0.856 20 0 GCADHM O=C(CCNC(=O)Cc1ccccc1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737968492 598616166 /nfs/dbraw/zinc/61/61/66/598616166.db2.gz HRDLAGYIFPUUNA-UHFFFAOYSA-N -1 3 398.452 0.856 20 0 GCADHM CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736592902 598616199 /nfs/dbraw/zinc/61/61/99/598616199.db2.gz FKNOQOXNIVBBAV-HNNXBMFYSA-N -1 3 398.423 0.774 20 0 GCADHM CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736592902 598616201 /nfs/dbraw/zinc/61/62/01/598616201.db2.gz FKNOQOXNIVBBAV-HNNXBMFYSA-N -1 3 398.423 0.774 20 0 GCADHM O=C(CCN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737838208 598618254 /nfs/dbraw/zinc/61/82/54/598618254.db2.gz KOKXINORVXFQAH-HNNXBMFYSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737864504 598618685 /nfs/dbraw/zinc/61/86/85/598618685.db2.gz YLQLEYLWWLAAKK-JTQLQIEISA-N -1 3 382.471 0.518 20 0 GCADHM O=C(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737864504 598618687 /nfs/dbraw/zinc/61/86/87/598618687.db2.gz YLQLEYLWWLAAKK-JTQLQIEISA-N -1 3 382.471 0.518 20 0 GCADHM COC(=O)CN(CCOc1ccc(-c2nn[n-]n2)cc1)CCN1CCOCC1 ZINC000736922455 598620155 /nfs/dbraw/zinc/62/01/55/598620155.db2.gz HJYLFZPGYJUWQA-UHFFFAOYSA-N -1 3 390.444 0.053 20 0 GCADHM O=S(=O)(NCc1n[nH]cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000738338970 598622350 /nfs/dbraw/zinc/62/23/50/598622350.db2.gz PSVKJPMTQRTENP-UHFFFAOYSA-N -1 3 384.219 0.831 20 0 GCADHM O=S(=O)(NCc1n[nH]cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000738338970 598622351 /nfs/dbraw/zinc/62/23/51/598622351.db2.gz PSVKJPMTQRTENP-UHFFFAOYSA-N -1 3 384.219 0.831 20 0 GCADHM CNS(=O)(=O)C1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736883195 598626774 /nfs/dbraw/zinc/62/67/74/598626774.db2.gz NZJIFXDOZMHUQI-NSHDSACASA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)C1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736883195 598626776 /nfs/dbraw/zinc/62/67/76/598626776.db2.gz NZJIFXDOZMHUQI-NSHDSACASA-N -1 3 393.473 0.207 20 0 GCADHM CN(C1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1)S(C)(=O)=O ZINC000736780660 598627638 /nfs/dbraw/zinc/62/76/38/598627638.db2.gz ZISXYZABTGRJLN-UHFFFAOYSA-N -1 3 397.436 0.894 20 0 GCADHM CN(C1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC000736780660 598627640 /nfs/dbraw/zinc/62/76/40/598627640.db2.gz ZISXYZABTGRJLN-UHFFFAOYSA-N -1 3 397.436 0.894 20 0 GCADHM CC(C)C(=O)N1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000735684616 598632895 /nfs/dbraw/zinc/63/28/95/598632895.db2.gz QAQRWXIPWRCOJE-UHFFFAOYSA-N -1 3 393.473 0.573 20 0 GCADHM CC(C)C(=O)N1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000735684616 598632897 /nfs/dbraw/zinc/63/28/97/598632897.db2.gz QAQRWXIPWRCOJE-UHFFFAOYSA-N -1 3 393.473 0.573 20 0 GCADHM O=C(CN1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1)NC1CC1 ZINC000737872455 598633199 /nfs/dbraw/zinc/63/31/99/598633199.db2.gz ILRVUSZDNLDHNI-UHFFFAOYSA-N -1 3 388.407 0.434 20 0 GCADHM O=C(CN1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1)NC1CC1 ZINC000737872455 598633201 /nfs/dbraw/zinc/63/32/01/598633201.db2.gz ILRVUSZDNLDHNI-UHFFFAOYSA-N -1 3 388.407 0.434 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](O)c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000737769469 598633363 /nfs/dbraw/zinc/63/33/63/598633363.db2.gz KVVAZQXNMAHLFQ-CQSZACIVSA-N -1 3 378.389 0.799 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](O)c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000737769469 598633364 /nfs/dbraw/zinc/63/33/64/598633364.db2.gz KVVAZQXNMAHLFQ-CQSZACIVSA-N -1 3 378.389 0.799 20 0 GCADHM CC(C)NC(=O)CN1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735884239 598633858 /nfs/dbraw/zinc/63/38/58/598633858.db2.gz ITMDCRNVMNAHOC-UHFFFAOYSA-N -1 3 390.423 0.680 20 0 GCADHM CC(C)NC(=O)CN1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735884239 598633860 /nfs/dbraw/zinc/63/38/60/598633860.db2.gz ITMDCRNVMNAHOC-UHFFFAOYSA-N -1 3 390.423 0.680 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735475357 598638143 /nfs/dbraw/zinc/63/81/43/598638143.db2.gz PHDQWSBKLRYUKD-LLVKDONJSA-N -1 3 375.364 0.071 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735475357 598638144 /nfs/dbraw/zinc/63/81/44/598638144.db2.gz PHDQWSBKLRYUKD-LLVKDONJSA-N -1 3 375.364 0.071 20 0 GCADHM COC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736911932 598639080 /nfs/dbraw/zinc/63/90/80/598639080.db2.gz MUCLVNBEVGUCKO-UHFFFAOYSA-N -1 3 390.375 0.746 20 0 GCADHM COC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736911932 598639081 /nfs/dbraw/zinc/63/90/81/598639081.db2.gz MUCLVNBEVGUCKO-UHFFFAOYSA-N -1 3 390.375 0.746 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000738161604 598639281 /nfs/dbraw/zinc/63/92/81/598639281.db2.gz GVTYVYPZCUSZGC-UHFFFAOYSA-N -1 3 399.386 0.882 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000738161604 598639283 /nfs/dbraw/zinc/63/92/83/598639283.db2.gz GVTYVYPZCUSZGC-UHFFFAOYSA-N -1 3 399.386 0.882 20 0 GCADHM O=C(NCc1nccn1C(F)F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738122926 598640792 /nfs/dbraw/zinc/64/07/92/598640792.db2.gz MAVLVGARNMARNW-UHFFFAOYSA-N -1 3 380.290 0.852 20 0 GCADHM O=C(NCc1nccn1C(F)F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738122926 598640794 /nfs/dbraw/zinc/64/07/94/598640794.db2.gz MAVLVGARNMARNW-UHFFFAOYSA-N -1 3 380.290 0.852 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCN(CC(F)F)CC1 ZINC000738163106 598641075 /nfs/dbraw/zinc/64/10/75/598641075.db2.gz OIOOUWYRFARNLO-UHFFFAOYSA-N -1 3 383.334 0.354 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCN(CC(F)F)CC1 ZINC000738163106 598641077 /nfs/dbraw/zinc/64/10/77/598641077.db2.gz OIOOUWYRFARNLO-UHFFFAOYSA-N -1 3 383.334 0.354 20 0 GCADHM CC1(C)COCCN1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736215269 598641346 /nfs/dbraw/zinc/64/13/46/598641346.db2.gz VXELCUUYAVNJIX-UHFFFAOYSA-N -1 3 391.407 0.171 20 0 GCADHM CC1(C)COCCN1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736215269 598641348 /nfs/dbraw/zinc/64/13/48/598641348.db2.gz VXELCUUYAVNJIX-UHFFFAOYSA-N -1 3 391.407 0.171 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736769862 598643483 /nfs/dbraw/zinc/64/34/83/598643483.db2.gz FMRWWGPFGFVUSG-UHFFFAOYSA-N -1 3 378.389 0.466 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736769862 598643484 /nfs/dbraw/zinc/64/34/84/598643484.db2.gz FMRWWGPFGFVUSG-UHFFFAOYSA-N -1 3 378.389 0.466 20 0 GCADHM O=C(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1)N1CCCC1 ZINC000737783926 598653950 /nfs/dbraw/zinc/65/39/50/598653950.db2.gz UQBMEUUMLVWPCD-UHFFFAOYSA-N -1 3 389.847 0.791 20 0 GCADHM O=C(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1)N1CCCC1 ZINC000737783926 598653951 /nfs/dbraw/zinc/65/39/51/598653951.db2.gz UQBMEUUMLVWPCD-UHFFFAOYSA-N -1 3 389.847 0.791 20 0 GCADHM CNC(=O)Cn1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736878255 598654814 /nfs/dbraw/zinc/65/48/14/598654814.db2.gz BHUQPQMSCQOLRT-UHFFFAOYSA-N -1 3 398.427 0.997 20 0 GCADHM CNC(=O)Cn1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736878255 598654815 /nfs/dbraw/zinc/65/48/15/598654815.db2.gz BHUQPQMSCQOLRT-UHFFFAOYSA-N -1 3 398.427 0.997 20 0 GCADHM O=C(c1cnn2ccccc12)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738282503 598655849 /nfs/dbraw/zinc/65/58/49/598655849.db2.gz CALOLIGNRXUMEP-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(c1cnn2ccccc12)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738282503 598655851 /nfs/dbraw/zinc/65/58/51/598655851.db2.gz CALOLIGNRXUMEP-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM NC(=O)CCNC(=O)c1cccc(NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000737746643 598662091 /nfs/dbraw/zinc/66/20/91/598662091.db2.gz JXKGHBWGUOVSRG-UHFFFAOYSA-N -1 3 385.409 0.786 20 0 GCADHM NC(=O)CCNC(=O)c1cccc(NC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000737746643 598662093 /nfs/dbraw/zinc/66/20/93/598662093.db2.gz JXKGHBWGUOVSRG-UHFFFAOYSA-N -1 3 385.409 0.786 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCO1 ZINC000737744561 598668195 /nfs/dbraw/zinc/66/81/95/598668195.db2.gz LYNIKEWPJPFVRH-MRXNPFEDSA-N -1 3 394.391 0.985 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000737744561 598668197 /nfs/dbraw/zinc/66/81/97/598668197.db2.gz LYNIKEWPJPFVRH-MRXNPFEDSA-N -1 3 394.391 0.985 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CCO1 ZINC000736911590 598670313 /nfs/dbraw/zinc/67/03/13/598670313.db2.gz GOQVPGAYYAUTCX-HUUCEWRRSA-N -1 3 389.412 0.671 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CCO1 ZINC000736911590 598670315 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GCADHM CCCNC(=O)CCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736482836 598686782 /nfs/dbraw/zinc/68/67/82/598686782.db2.gz ADWGBHLAMXKVIS-UHFFFAOYSA-N -1 3 386.460 0.653 20 0 GCADHM CCCNC(=O)CCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736482836 598686783 /nfs/dbraw/zinc/68/67/83/598686783.db2.gz ADWGBHLAMXKVIS-UHFFFAOYSA-N -1 3 386.460 0.653 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737781944 598687049 /nfs/dbraw/zinc/68/70/49/598687049.db2.gz CUUWRBQAZWWHIM-UHFFFAOYSA-N -1 3 380.405 0.249 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737764238 598690287 /nfs/dbraw/zinc/69/02/87/598690287.db2.gz IVZMHRGKQPUBEX-ABZNLYFFSA-N -1 3 376.442 0.407 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737764238 598690289 /nfs/dbraw/zinc/69/02/89/598690289.db2.gz IVZMHRGKQPUBEX-ABZNLYFFSA-N -1 3 376.442 0.407 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737764672 598690928 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Cn1cc(N2CC[C@H](N3CCN(c4ccccc4-c4nnn[n-]4)CC3)C2=O)cn1 ZINC000737612306 598702327 /nfs/dbraw/zinc/70/23/27/598702327.db2.gz YFHYYTVFVRBTSO-KRWDZBQOSA-N -1 3 393.455 0.528 20 0 GCADHM Cn1cc(N2CC[C@H](N3CCN(c4ccccc4-c4nn[n-]n4)CC3)C2=O)cn1 ZINC000737612306 598702329 /nfs/dbraw/zinc/70/23/29/598702329.db2.gz YFHYYTVFVRBTSO-KRWDZBQOSA-N -1 3 393.455 0.528 20 0 GCADHM CN(CCn1cccn1)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000736813273 598706511 /nfs/dbraw/zinc/70/65/11/598706511.db2.gz AJVCLZVLQSBABO-UHFFFAOYSA-N -1 3 392.427 0.819 20 0 GCADHM CN(CCn1cccn1)CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000736813273 598706513 /nfs/dbraw/zinc/70/65/13/598706513.db2.gz AJVCLZVLQSBABO-UHFFFAOYSA-N -1 3 392.427 0.819 20 0 GCADHM O=C1[C@@H](N2CCCS(=O)(=O)CC2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738290516 598708676 /nfs/dbraw/zinc/70/86/76/598708676.db2.gz PJXGHCAXTZMPKG-AWEZNQCLSA-N -1 3 376.442 0.093 20 0 GCADHM O=C1[C@@H](N2CCCS(=O)(=O)CC2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738290516 598708678 /nfs/dbraw/zinc/70/86/78/598708678.db2.gz PJXGHCAXTZMPKG-AWEZNQCLSA-N -1 3 376.442 0.093 20 0 GCADHM O=C(CN1CCC[C@@H](N2CCCC2=O)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737876225 598708734 /nfs/dbraw/zinc/70/87/34/598708734.db2.gz OWSMNRKCZJOEAZ-LLVKDONJSA-N -1 3 375.458 0.954 20 0 GCADHM O=C(CN1CCC[C@@H](N2CCCC2=O)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737876225 598708736 /nfs/dbraw/zinc/70/87/36/598708736.db2.gz OWSMNRKCZJOEAZ-LLVKDONJSA-N -1 3 375.458 0.954 20 0 GCADHM COCCCS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736987055 598709462 /nfs/dbraw/zinc/70/94/62/598709462.db2.gz AWDOVFGZCBUKOT-UHFFFAOYSA-N -1 3 384.437 0.494 20 0 GCADHM Cc1n[nH]cc1S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737201568 598709960 /nfs/dbraw/zinc/70/99/60/598709960.db2.gz GNCWLKOONMRVOH-UHFFFAOYSA-N -1 3 392.420 0.548 20 0 GCADHM Cc1n[nH]cc1S(=O)(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737204098 598710061 /nfs/dbraw/zinc/71/00/61/598710061.db2.gz XWJBSOKREJUHOA-UHFFFAOYSA-N -1 3 388.457 0.799 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738348234 598711500 /nfs/dbraw/zinc/71/15/00/598711500.db2.gz SIHLMZKLXJJISD-ZDUSSCGKSA-N -1 3 375.414 0.153 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738348234 598711502 /nfs/dbraw/zinc/71/15/02/598711502.db2.gz SIHLMZKLXJJISD-ZDUSSCGKSA-N -1 3 375.414 0.153 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738354616 598711569 /nfs/dbraw/zinc/71/15/69/598711569.db2.gz IFJHNOKCSDWGCI-NSHDSACASA-N -1 3 393.404 0.292 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000738303521 598711724 /nfs/dbraw/zinc/71/17/24/598711724.db2.gz RFVBNPWPXXRYGJ-ZDUSSCGKSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000738303521 598711725 /nfs/dbraw/zinc/71/17/25/598711725.db2.gz RFVBNPWPXXRYGJ-ZDUSSCGKSA-N -1 3 376.442 0.642 20 0 GCADHM CCc1nnc2n1CCN([C@H]1CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000736709796 598712123 /nfs/dbraw/zinc/71/21/23/598712123.db2.gz ASBHQCVTEWOTJB-ZDUSSCGKSA-N -1 3 393.411 0.168 20 0 GCADHM CCc1nnc2n1CCN([C@H]1CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000736709796 598712125 /nfs/dbraw/zinc/71/21/25/598712125.db2.gz ASBHQCVTEWOTJB-ZDUSSCGKSA-N -1 3 393.411 0.168 20 0 GCADHM O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCCC1 ZINC000737791971 598712656 /nfs/dbraw/zinc/71/26/56/598712656.db2.gz MZTFZWUIFQFLEK-CQSZACIVSA-N -1 3 390.469 0.890 20 0 GCADHM O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCCC1 ZINC000737791971 598712658 /nfs/dbraw/zinc/71/26/58/598712658.db2.gz MZTFZWUIFQFLEK-CQSZACIVSA-N -1 3 390.469 0.890 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000736635837 598716380 /nfs/dbraw/zinc/71/63/80/598716380.db2.gz HLAQWRMHPIVOIL-ZDUSSCGKSA-N -1 3 376.373 0.671 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000736635837 598716382 /nfs/dbraw/zinc/71/63/82/598716382.db2.gz HLAQWRMHPIVOIL-ZDUSSCGKSA-N -1 3 376.373 0.671 20 0 GCADHM NS(=O)(=O)CCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737765166 598719131 /nfs/dbraw/zinc/71/91/31/598719131.db2.gz NSVDXDCEYNDWFN-UHFFFAOYSA-N -1 3 389.397 0.072 20 0 GCADHM NS(=O)(=O)CCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737765166 598719132 /nfs/dbraw/zinc/71/91/32/598719132.db2.gz NSVDXDCEYNDWFN-UHFFFAOYSA-N -1 3 389.397 0.072 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736191277 598723200 /nfs/dbraw/zinc/72/32/00/598723200.db2.gz YOLVLLLNOZOBSV-XHDPSFHLSA-N -1 3 397.395 0.716 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736191277 598723202 /nfs/dbraw/zinc/72/32/02/598723202.db2.gz YOLVLLLNOZOBSV-XHDPSFHLSA-N -1 3 397.395 0.716 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737611376 598723521 /nfs/dbraw/zinc/72/35/21/598723521.db2.gz VWTSBZYMQMXOLL-OAHLLOKOSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737611376 598723522 /nfs/dbraw/zinc/72/35/22/598723522.db2.gz VWTSBZYMQMXOLL-OAHLLOKOSA-N -1 3 381.396 0.882 20 0 GCADHM CC(C)CCC(=O)NCC(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735796077 598723723 /nfs/dbraw/zinc/72/37/23/598723723.db2.gz SCRBWVYAEHZYKA-UHFFFAOYSA-N -1 3 388.428 0.579 20 0 GCADHM CC(C)CCC(=O)NCC(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735796077 598723724 /nfs/dbraw/zinc/72/37/24/598723724.db2.gz SCRBWVYAEHZYKA-UHFFFAOYSA-N -1 3 388.428 0.579 20 0 GCADHM Cn1ccnc1CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737615801 598727869 /nfs/dbraw/zinc/72/78/69/598727869.db2.gz LWEJBAZWJMKKGU-UHFFFAOYSA-N -1 3 392.326 0.457 20 0 GCADHM Cn1ccnc1CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737615801 598727870 /nfs/dbraw/zinc/72/78/70/598727870.db2.gz LWEJBAZWJMKKGU-UHFFFAOYSA-N -1 3 392.326 0.457 20 0 GCADHM CCc1nnc2n1CCN(C(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)C2 ZINC000736711264 598730712 /nfs/dbraw/zinc/73/07/12/598730712.db2.gz SZNGUWOKRNZJCT-UHFFFAOYSA-N -1 3 383.420 0.053 20 0 GCADHM CCc1nnc2n1CCN(C(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)C2 ZINC000736711264 598730713 /nfs/dbraw/zinc/73/07/13/598730713.db2.gz SZNGUWOKRNZJCT-UHFFFAOYSA-N -1 3 383.420 0.053 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC([C@H](C)O)CC1 ZINC000736637620 598733502 /nfs/dbraw/zinc/73/35/02/598733502.db2.gz XBHPNEIHJILXSR-NSHDSACASA-N -1 3 388.428 0.823 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC([C@H](C)O)CC1 ZINC000736637620 598733505 /nfs/dbraw/zinc/73/35/05/598733505.db2.gz XBHPNEIHJILXSR-NSHDSACASA-N -1 3 388.428 0.823 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737127490 598734072 /nfs/dbraw/zinc/73/40/72/598734072.db2.gz KLFYGLMVSHZXEO-MRXNPFEDSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737127490 598734074 /nfs/dbraw/zinc/73/40/74/598734074.db2.gz KLFYGLMVSHZXEO-MRXNPFEDSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCn2c(nnc2C(C)C)C1 ZINC000737289580 598734267 /nfs/dbraw/zinc/73/42/67/598734267.db2.gz REMMHNUCPSRYGK-UHFFFAOYSA-N -1 3 395.427 0.871 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2c(nnc2C(C)C)C1 ZINC000737289580 598734268 /nfs/dbraw/zinc/73/42/68/598734268.db2.gz REMMHNUCPSRYGK-UHFFFAOYSA-N -1 3 395.427 0.871 20 0 GCADHM Cc1nnc2n1CCN(C(=O)C(=O)Nc1ccc(Cl)c(-c3nnn[n-]3)c1)C2 ZINC000737533622 598734631 /nfs/dbraw/zinc/73/46/31/598734631.db2.gz OKMBXUMOXXODOI-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM Cc1nnc2n1CCN(C(=O)C(=O)Nc1ccc(Cl)c(-c3nn[n-]n3)c1)C2 ZINC000737533622 598734632 /nfs/dbraw/zinc/73/46/32/598734632.db2.gz OKMBXUMOXXODOI-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737168060 598737326 /nfs/dbraw/zinc/73/73/26/598737326.db2.gz YFCMZVZJBQQNDQ-LBPRGKRZSA-N -1 3 395.445 0.031 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737168060 598737327 /nfs/dbraw/zinc/73/73/27/598737327.db2.gz YFCMZVZJBQQNDQ-LBPRGKRZSA-N -1 3 395.445 0.031 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736181836 598743117 /nfs/dbraw/zinc/74/31/17/598743117.db2.gz BLJJFYVWHMWQQV-KOLCDFICSA-N -1 3 398.345 0.913 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736181836 598743118 /nfs/dbraw/zinc/74/31/18/598743118.db2.gz BLJJFYVWHMWQQV-KOLCDFICSA-N -1 3 398.345 0.913 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737925607 598744019 /nfs/dbraw/zinc/74/40/19/598744019.db2.gz WVFWAYVTACOJGU-NSHDSACASA-N -1 3 384.318 0.525 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737925607 598744020 /nfs/dbraw/zinc/74/40/20/598744020.db2.gz WVFWAYVTACOJGU-NSHDSACASA-N -1 3 384.318 0.525 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737919060 598744170 /nfs/dbraw/zinc/74/41/70/598744170.db2.gz JCUGYBHRVPXHCF-NSHDSACASA-N -1 3 384.318 0.525 20 0 GCADHM Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737442474 598749024 /nfs/dbraw/zinc/74/90/24/598749024.db2.gz GGRDQADQMHBQAJ-CQSZACIVSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737442474 598749025 /nfs/dbraw/zinc/74/90/25/598749025.db2.gz GGRDQADQMHBQAJ-CQSZACIVSA-N -1 3 389.441 0.461 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCN1CC(F)(F)F ZINC000738297702 598749770 /nfs/dbraw/zinc/74/97/70/598749770.db2.gz UVSNUGJGMVTAHM-SNVBAGLBSA-N -1 3 390.347 0.308 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCN1CC(F)(F)F ZINC000738297702 598749771 /nfs/dbraw/zinc/74/97/71/598749771.db2.gz UVSNUGJGMVTAHM-SNVBAGLBSA-N -1 3 390.347 0.308 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000738102818 598749891 /nfs/dbraw/zinc/74/98/91/598749891.db2.gz VWTUPUGWPFDQCJ-NSHDSACASA-N -1 3 383.334 0.829 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000738102818 598749892 /nfs/dbraw/zinc/74/98/92/598749892.db2.gz VWTUPUGWPFDQCJ-NSHDSACASA-N -1 3 383.334 0.829 20 0 GCADHM COC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736910584 598750063 /nfs/dbraw/zinc/75/00/63/598750063.db2.gz PRNZVLUQUDHRFJ-CYBMUJFWSA-N -1 3 382.384 0.412 20 0 GCADHM COC(=O)[C@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736910584 598750064 /nfs/dbraw/zinc/75/00/64/598750064.db2.gz PRNZVLUQUDHRFJ-CYBMUJFWSA-N -1 3 382.384 0.412 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1 ZINC000736094948 598750278 /nfs/dbraw/zinc/75/02/78/598750278.db2.gz BJCASOWROYLXOR-LLVKDONJSA-N -1 3 379.380 0.949 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1 ZINC000736094948 598750280 /nfs/dbraw/zinc/75/02/80/598750280.db2.gz BJCASOWROYLXOR-LLVKDONJSA-N -1 3 379.380 0.949 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1 ZINC000736094950 598750320 /nfs/dbraw/zinc/75/03/20/598750320.db2.gz BJCASOWROYLXOR-NSHDSACASA-N -1 3 379.380 0.949 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1 ZINC000736094950 598750322 /nfs/dbraw/zinc/75/03/22/598750322.db2.gz BJCASOWROYLXOR-NSHDSACASA-N -1 3 379.380 0.949 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737444678 598750666 /nfs/dbraw/zinc/75/06/66/598750666.db2.gz OGFLRYFIGFBGEB-OAHLLOKOSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737444678 598750668 /nfs/dbraw/zinc/75/06/68/598750668.db2.gz OGFLRYFIGFBGEB-OAHLLOKOSA-N -1 3 396.411 0.238 20 0 GCADHM O=C(CS(=O)(=O)C1CCCC1)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826419786 607366125 /nfs/dbraw/zinc/36/61/25/607366125.db2.gz LWWYTBNBKYNGGZ-UHFFFAOYSA-N -1 3 378.410 0.950 20 0 GCADHM O=C(CS(=O)(=O)C1CCCC1)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826419786 607366126 /nfs/dbraw/zinc/36/61/26/607366126.db2.gz LWWYTBNBKYNGGZ-UHFFFAOYSA-N -1 3 378.410 0.950 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000735732500 598754554 /nfs/dbraw/zinc/75/45/54/598754554.db2.gz AGZGMJBPMFWJSP-RISCZKNCSA-N -1 3 394.457 0.160 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000735732500 598754556 /nfs/dbraw/zinc/75/45/56/598754556.db2.gz AGZGMJBPMFWJSP-RISCZKNCSA-N -1 3 394.457 0.160 20 0 GCADHM Cn1cc(-c2ncc(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)s2)cn1 ZINC000737592124 598754775 /nfs/dbraw/zinc/75/47/75/598754775.db2.gz JZOMLRLCZMTGGM-UHFFFAOYSA-N -1 3 396.440 0.961 20 0 GCADHM Cn1cc(-c2ncc(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)s2)cn1 ZINC000737592124 598754776 /nfs/dbraw/zinc/75/47/76/598754776.db2.gz JZOMLRLCZMTGGM-UHFFFAOYSA-N -1 3 396.440 0.961 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000735660765 598756959 /nfs/dbraw/zinc/75/69/59/598756959.db2.gz OZWWCQPLZKSGMI-JTQLQIEISA-N -1 3 382.450 0.318 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000735660765 598756960 /nfs/dbraw/zinc/75/69/60/598756960.db2.gz OZWWCQPLZKSGMI-JTQLQIEISA-N -1 3 382.450 0.318 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000736501498 598762082 /nfs/dbraw/zinc/76/20/82/598762082.db2.gz CTSMNBBXIQAXOD-VXGBXAGGSA-N -1 3 379.442 0.670 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000736501498 598762084 /nfs/dbraw/zinc/76/20/84/598762084.db2.gz CTSMNBBXIQAXOD-VXGBXAGGSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCN1C(=O)CSC1=O ZINC000736184485 598762410 /nfs/dbraw/zinc/76/24/10/598762410.db2.gz KRPOXKVXBNENKK-SECBINFHSA-N -1 3 376.398 0.446 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCN1C(=O)CSC1=O ZINC000736184485 598762412 /nfs/dbraw/zinc/76/24/12/598762412.db2.gz KRPOXKVXBNENKK-SECBINFHSA-N -1 3 376.398 0.446 20 0 GCADHM COC(=O)CNC(=O)[C@@H](C)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736932049 598765192 /nfs/dbraw/zinc/76/51/92/598765192.db2.gz ZDSXSFUGLYZXGA-GFCCVEGCSA-N -1 3 388.428 0.388 20 0 GCADHM Cc1nc(SCC(=O)N2CC(n3cncn3)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483360 598766286 /nfs/dbraw/zinc/76/62/86/598766286.db2.gz NOCKDHFCTYMBTH-UHFFFAOYSA-N -1 3 385.457 0.954 20 0 GCADHM Cc1nc(SCC(=O)N2CC(n3cncn3)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483360 598766287 /nfs/dbraw/zinc/76/62/87/598766287.db2.gz NOCKDHFCTYMBTH-UHFFFAOYSA-N -1 3 385.457 0.954 20 0 GCADHM CN(C)c1nc(N)nc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000736780632 598767167 /nfs/dbraw/zinc/76/71/67/598767167.db2.gz YFGGGLLEOOGAOZ-UHFFFAOYSA-N -1 3 396.459 0.743 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCN2CCSCC2)cc1 ZINC000737776387 598768323 /nfs/dbraw/zinc/76/83/23/598768323.db2.gz LTAJJRIJXNWGSI-UHFFFAOYSA-N -1 3 399.484 0.413 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCN2CCSCC2)cc1 ZINC000737776387 598768325 /nfs/dbraw/zinc/76/83/25/598768325.db2.gz LTAJJRIJXNWGSI-UHFFFAOYSA-N -1 3 399.484 0.413 20 0 GCADHM CN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736737698 598769047 /nfs/dbraw/zinc/76/90/47/598769047.db2.gz VERAKOUCVOWDBR-GFCCVEGCSA-N -1 3 398.345 0.867 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@H]1Cn1cncn1 ZINC000737024550 598769683 /nfs/dbraw/zinc/76/96/83/598769683.db2.gz SWCOJBKKROYHJX-ZDUSSCGKSA-N -1 3 384.400 0.537 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@H]1Cn1cncn1 ZINC000737024550 598769684 /nfs/dbraw/zinc/76/96/84/598769684.db2.gz SWCOJBKKROYHJX-ZDUSSCGKSA-N -1 3 384.400 0.537 20 0 GCADHM CC(=O)NCCCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735475418 598770432 /nfs/dbraw/zinc/77/04/32/598770432.db2.gz VDNHPJUPTFULEI-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM O=C(NCCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C1CC1 ZINC000738074712 598771645 /nfs/dbraw/zinc/77/16/45/598771645.db2.gz MCVWBTOYKRGVJB-UHFFFAOYSA-N -1 3 399.455 0.946 20 0 GCADHM O=C(CN1CCC[C@H](N2CCCCC2=O)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737877182 598775890 /nfs/dbraw/zinc/77/58/90/598775890.db2.gz VAHOIKKQMFKYLL-KRWDZBQOSA-N -1 3 397.483 0.960 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@H]1Cn1cncn1 ZINC000669628134 598776637 /nfs/dbraw/zinc/77/66/37/598776637.db2.gz GYSKXUCJLVFOKR-JTQLQIEISA-N -1 3 394.848 0.965 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@H]1Cn1cncn1 ZINC000669628134 598776638 /nfs/dbraw/zinc/77/66/38/598776638.db2.gz GYSKXUCJLVFOKR-JTQLQIEISA-N -1 3 394.848 0.965 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCC[C@@H]1Cn1cncn1 ZINC000669628135 598776652 /nfs/dbraw/zinc/77/66/52/598776652.db2.gz GYSKXUCJLVFOKR-SNVBAGLBSA-N -1 3 394.848 0.965 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCC[C@@H]1Cn1cncn1 ZINC000669628135 598776653 /nfs/dbraw/zinc/77/66/53/598776653.db2.gz GYSKXUCJLVFOKR-SNVBAGLBSA-N -1 3 394.848 0.965 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736659107 598777279 /nfs/dbraw/zinc/77/72/79/598777279.db2.gz NMVOVBGKLHSEBV-UHFFFAOYSA-N -1 3 381.462 0.338 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736659107 598777280 /nfs/dbraw/zinc/77/72/80/598777280.db2.gz NMVOVBGKLHSEBV-UHFFFAOYSA-N -1 3 381.462 0.338 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H]1Cn1cncn1 ZINC000738354744 598777731 /nfs/dbraw/zinc/77/77/31/598777731.db2.gz KLFWYNDOTQETKG-JTQLQIEISA-N -1 3 378.393 0.451 20 0 GCADHM CC(C)(C)[S@](=O)CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735643250 598778965 /nfs/dbraw/zinc/77/89/65/598778965.db2.gz LRQGSWJDDPBRGP-AREMUKBSSA-N -1 3 378.458 0.260 20 0 GCADHM CC(C)(C)[S@](=O)CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735643250 598778966 /nfs/dbraw/zinc/77/89/66/598778966.db2.gz LRQGSWJDDPBRGP-AREMUKBSSA-N -1 3 378.458 0.260 20 0 GCADHM COc1c(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)c(C)nn1C ZINC000737023076 598780023 /nfs/dbraw/zinc/78/00/23/598780023.db2.gz IPWGKUJLOBKICW-UHFFFAOYSA-N -1 3 377.386 0.774 20 0 GCADHM COc1c(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)c(C)nn1C ZINC000737023076 598780024 /nfs/dbraw/zinc/78/00/24/598780024.db2.gz IPWGKUJLOBKICW-UHFFFAOYSA-N -1 3 377.386 0.774 20 0 GCADHM CC(C)(C)[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735589930 598783356 /nfs/dbraw/zinc/78/33/56/598783356.db2.gz RCHLIAAQPSXPCQ-NSHDSACASA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)(C)[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735589930 598783357 /nfs/dbraw/zinc/78/33/57/598783357.db2.gz RCHLIAAQPSXPCQ-NSHDSACASA-N -1 3 398.370 0.930 20 0 GCADHM CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736330560 598783964 /nfs/dbraw/zinc/78/39/64/598783964.db2.gz MLIRAJCWHYRPKE-KCJUWKMLSA-N -1 3 398.370 0.930 20 0 GCADHM CC[C@@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736330560 598783965 /nfs/dbraw/zinc/78/39/65/598783965.db2.gz MLIRAJCWHYRPKE-KCJUWKMLSA-N -1 3 398.370 0.930 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1CCSCC1 ZINC000737287633 598784557 /nfs/dbraw/zinc/78/45/57/598784557.db2.gz FKWHTWRUXDLCMR-UHFFFAOYSA-N -1 3 375.458 0.279 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)NC(=O)OC ZINC000736997681 598790509 /nfs/dbraw/zinc/79/05/09/598790509.db2.gz UZIHASLWQXMLJI-UHFFFAOYSA-N -1 3 376.417 0.976 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)NC(=O)OC ZINC000736997681 598790510 /nfs/dbraw/zinc/79/05/10/598790510.db2.gz UZIHASLWQXMLJI-UHFFFAOYSA-N -1 3 376.417 0.976 20 0 GCADHM COCCNC(=O)CN1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000737007038 598791750 /nfs/dbraw/zinc/79/17/50/598791750.db2.gz PJYROTCMKBUQML-UHFFFAOYSA-N -1 3 379.852 0.405 20 0 GCADHM COCCNC(=O)CN1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000737007038 598791751 /nfs/dbraw/zinc/79/17/51/598791751.db2.gz PJYROTCMKBUQML-UHFFFAOYSA-N -1 3 379.852 0.405 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000735734804 598791856 /nfs/dbraw/zinc/79/18/56/598791856.db2.gz JQRWDJUPIQGTSH-LRDDRELGSA-N -1 3 382.428 0.993 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000735734804 598791858 /nfs/dbraw/zinc/79/18/58/598791858.db2.gz JQRWDJUPIQGTSH-LRDDRELGSA-N -1 3 382.428 0.993 20 0 GCADHM O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737792806 598792116 /nfs/dbraw/zinc/79/21/16/598792116.db2.gz RTNDRXUFYCLFIW-UHFFFAOYSA-N -1 3 390.469 0.340 20 0 GCADHM O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737792806 598792117 /nfs/dbraw/zinc/79/21/17/598792117.db2.gz RTNDRXUFYCLFIW-UHFFFAOYSA-N -1 3 390.469 0.340 20 0 GCADHM O=C(N[C@H]1CCc2ncnn2C1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738038312 598793623 /nfs/dbraw/zinc/79/36/23/598793623.db2.gz YNCSTVOQBLCJHV-ZFWWWQNUSA-N -1 3 379.428 0.558 20 0 GCADHM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736507271 598796936 /nfs/dbraw/zinc/79/69/36/598796936.db2.gz CPKCMHJASVMEMS-SECBINFHSA-N -1 3 391.450 0.450 20 0 GCADHM CCN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000736520755 598796946 /nfs/dbraw/zinc/79/69/46/598796946.db2.gz BZQGGHLBYYKXOM-JSGCOSHPSA-N -1 3 383.474 0.361 20 0 GCADHM CCN(CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@H](C)CS(C)(=O)=O ZINC000736534894 598797059 /nfs/dbraw/zinc/79/70/59/598797059.db2.gz OFNBMMQVMMHGAA-GFCCVEGCSA-N -1 3 380.474 0.950 20 0 GCADHM CCN(CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@H](C)CS(C)(=O)=O ZINC000736534894 598797060 /nfs/dbraw/zinc/79/70/60/598797060.db2.gz OFNBMMQVMMHGAA-GFCCVEGCSA-N -1 3 380.474 0.950 20 0 GCADHM CC1(CNC(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)COC1 ZINC000736216945 598798355 /nfs/dbraw/zinc/79/83/55/598798355.db2.gz OIKNTJUYMPVBDI-UHFFFAOYSA-N -1 3 375.408 0.874 20 0 GCADHM CC1(CNC(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)COC1 ZINC000736216945 598798356 /nfs/dbraw/zinc/79/83/56/598798356.db2.gz OIKNTJUYMPVBDI-UHFFFAOYSA-N -1 3 375.408 0.874 20 0 GCADHM COc1ccnc(N2CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000737159680 598801023 /nfs/dbraw/zinc/80/10/23/598801023.db2.gz NYHYORWSSPSXLU-UHFFFAOYSA-N -1 3 395.427 0.697 20 0 GCADHM COc1ccnc(N2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000737159680 598801024 /nfs/dbraw/zinc/80/10/24/598801024.db2.gz NYHYORWSSPSXLU-UHFFFAOYSA-N -1 3 395.427 0.697 20 0 GCADHM O=C(NC[C@@H]1COCCO1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738051615 598801029 /nfs/dbraw/zinc/80/10/29/598801029.db2.gz PBHWGTXLLNCSEG-MRXNPFEDSA-N -1 3 388.428 0.835 20 0 GCADHM O=C(NC[C@@H]1COCCO1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738051615 598801030 /nfs/dbraw/zinc/80/10/30/598801030.db2.gz PBHWGTXLLNCSEG-MRXNPFEDSA-N -1 3 388.428 0.835 20 0 GCADHM CCN(C(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@@H](C)CS(C)(=O)=O ZINC000736506293 598801947 /nfs/dbraw/zinc/80/19/47/598801947.db2.gz STWCZZTWTKTBQA-NSHDSACASA-N -1 3 396.477 0.138 20 0 GCADHM CCN(C(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@@H](C)CS(C)(=O)=O ZINC000736506293 598801948 /nfs/dbraw/zinc/80/19/48/598801948.db2.gz STWCZZTWTKTBQA-NSHDSACASA-N -1 3 396.477 0.138 20 0 GCADHM CCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H](C)CS(C)(=O)=O ZINC000736505806 598802042 /nfs/dbraw/zinc/80/20/42/598802042.db2.gz NYOLPBOHXNFQJS-JTQLQIEISA-N -1 3 384.437 0.970 20 0 GCADHM CCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H](C)CS(C)(=O)=O ZINC000736505806 598802044 /nfs/dbraw/zinc/80/20/44/598802044.db2.gz NYOLPBOHXNFQJS-JTQLQIEISA-N -1 3 384.437 0.970 20 0 GCADHM CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737023970 598804685 /nfs/dbraw/zinc/80/46/85/598804685.db2.gz QRPZWCLSZXBOCO-UHFFFAOYSA-N -1 3 389.397 0.696 20 0 GCADHM CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737023970 598804687 /nfs/dbraw/zinc/80/46/87/598804687.db2.gz QRPZWCLSZXBOCO-UHFFFAOYSA-N -1 3 389.397 0.696 20 0 GCADHM O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737822140 598807665 /nfs/dbraw/zinc/80/76/65/598807665.db2.gz XCVHVKHIFCOBSS-NSHDSACASA-N -1 3 387.425 0.816 20 0 GCADHM Cn1cccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000737614661 598808755 /nfs/dbraw/zinc/80/87/55/598808755.db2.gz XGULYKSSNPPQPJ-UHFFFAOYSA-N -1 3 379.424 0.523 20 0 GCADHM CC(C)(C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000735575047 598809604 /nfs/dbraw/zinc/80/96/04/598809604.db2.gz OFXXZQHBRFRZEX-UHFFFAOYSA-N -1 3 396.448 0.478 20 0 GCADHM CC(C)(C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000735575047 598809605 /nfs/dbraw/zinc/80/96/05/598809605.db2.gz OFXXZQHBRFRZEX-UHFFFAOYSA-N -1 3 396.448 0.478 20 0 GCADHM C[C@H](O)CN1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000736147927 598812560 /nfs/dbraw/zinc/81/25/60/598812560.db2.gz OFTVZPNXMWEWEL-LBPRGKRZSA-N -1 3 376.465 0.954 20 0 GCADHM C[C@H](O)CN1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000736147927 598812562 /nfs/dbraw/zinc/81/25/62/598812562.db2.gz OFTVZPNXMWEWEL-LBPRGKRZSA-N -1 3 376.465 0.954 20 0 GCADHM C[C@H]1COCCN1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736295075 598812691 /nfs/dbraw/zinc/81/26/91/598812691.db2.gz YEUHHVLUHFJMGN-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM C[C@H]1COCCN1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736295075 598812692 /nfs/dbraw/zinc/81/26/92/598812692.db2.gz YEUHHVLUHFJMGN-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736988895 598813010 /nfs/dbraw/zinc/81/30/10/598813010.db2.gz WIWRMPFRSBLMJG-UHFFFAOYSA-N -1 3 380.474 0.351 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736988895 598813012 /nfs/dbraw/zinc/81/30/12/598813012.db2.gz WIWRMPFRSBLMJG-UHFFFAOYSA-N -1 3 380.474 0.351 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCC1 ZINC000738020329 598816373 /nfs/dbraw/zinc/81/63/73/598816373.db2.gz NNXHYRSUWNVLOZ-UHFFFAOYSA-N -1 3 396.455 0.359 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCC1 ZINC000738020329 598816375 /nfs/dbraw/zinc/81/63/75/598816375.db2.gz NNXHYRSUWNVLOZ-UHFFFAOYSA-N -1 3 396.455 0.359 20 0 GCADHM CCC(CC)N1C[C@@H](C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1=O ZINC000736346131 598818799 /nfs/dbraw/zinc/81/87/99/598818799.db2.gz RTBYSWTTXZOAJH-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CCC(CC)N1C[C@@H](C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1=O ZINC000736346131 598818801 /nfs/dbraw/zinc/81/88/01/598818801.db2.gz RTBYSWTTXZOAJH-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCC1 ZINC000738018949 598819151 /nfs/dbraw/zinc/81/91/51/598819151.db2.gz GKVNISATFPEATC-UHFFFAOYSA-N -1 3 396.455 0.359 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCC1 ZINC000738018949 598819152 /nfs/dbraw/zinc/81/91/52/598819152.db2.gz GKVNISATFPEATC-UHFFFAOYSA-N -1 3 396.455 0.359 20 0 GCADHM CCN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000736510736 598820000 /nfs/dbraw/zinc/82/00/00/598820000.db2.gz IHWIQKIABYDXFJ-GFCCVEGCSA-N -1 3 380.474 0.950 20 0 GCADHM CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000736510736 598820002 /nfs/dbraw/zinc/82/00/02/598820002.db2.gz IHWIQKIABYDXFJ-GFCCVEGCSA-N -1 3 380.474 0.950 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736871763 598820814 /nfs/dbraw/zinc/82/08/14/598820814.db2.gz YMZVHNHISWPUPE-ZDUSSCGKSA-N -1 3 388.428 0.771 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736871763 598820816 /nfs/dbraw/zinc/82/08/16/598820816.db2.gz YMZVHNHISWPUPE-ZDUSSCGKSA-N -1 3 388.428 0.771 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000737793544 598821822 /nfs/dbraw/zinc/82/18/22/598821822.db2.gz ZORHKZRACIKJRP-MRXNPFEDSA-N -1 3 399.455 0.519 20 0 GCADHM CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735708113 598822263 /nfs/dbraw/zinc/82/22/63/598822263.db2.gz JYQFELPWAJOXJZ-MFKMUULPSA-N -1 3 375.458 0.938 20 0 GCADHM CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735708113 598822264 /nfs/dbraw/zinc/82/22/64/598822264.db2.gz JYQFELPWAJOXJZ-MFKMUULPSA-N -1 3 375.458 0.938 20 0 GCADHM CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735708109 598822410 /nfs/dbraw/zinc/82/24/10/598822410.db2.gz JYQFELPWAJOXJZ-GWCFXTLKSA-N -1 3 375.458 0.938 20 0 GCADHM CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735708109 598822411 /nfs/dbraw/zinc/82/24/11/598822411.db2.gz JYQFELPWAJOXJZ-GWCFXTLKSA-N -1 3 375.458 0.938 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC000736180363 598823035 /nfs/dbraw/zinc/82/30/35/598823035.db2.gz HIYDKIYQPKXSSC-SDDRHHMPSA-N -1 3 381.458 0.914 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC000736180363 598823036 /nfs/dbraw/zinc/82/30/36/598823036.db2.gz HIYDKIYQPKXSSC-SDDRHHMPSA-N -1 3 381.458 0.914 20 0 GCADHM c1ccc(-c2nnn[n-]2)c(OCCN2CCO[C@H](CNc3cccnn3)C2)c1 ZINC000738447916 599293476 /nfs/dbraw/zinc/29/34/76/599293476.db2.gz LFVWOWKGGMJXDV-CQSZACIVSA-N -1 3 382.428 0.848 20 0 GCADHM c1ccc(-c2nn[n-]n2)c(OCCN2CCO[C@H](CNc3cccnn3)C2)c1 ZINC000738447916 599293478 /nfs/dbraw/zinc/29/34/78/599293478.db2.gz LFVWOWKGGMJXDV-CQSZACIVSA-N -1 3 382.428 0.848 20 0 GCADHM Cc1cc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)ccc1-n1cnnn1 ZINC000737238747 599294139 /nfs/dbraw/zinc/29/41/39/599294139.db2.gz RVHGNAMOBIKRQK-UHFFFAOYSA-N -1 3 395.412 0.705 20 0 GCADHM Cc1cc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)ccc1-n1cnnn1 ZINC000737238747 599294141 /nfs/dbraw/zinc/29/41/41/599294141.db2.gz RVHGNAMOBIKRQK-UHFFFAOYSA-N -1 3 395.412 0.705 20 0 GCADHM CCOC(=O)N1CCC(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)CC1 ZINC000736599462 599294171 /nfs/dbraw/zinc/29/41/71/599294171.db2.gz NIZRLODSPCKPOS-UHFFFAOYSA-N -1 3 392.445 0.976 20 0 GCADHM CCOC(=O)N1CCC(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)CC1 ZINC000736599462 599294173 /nfs/dbraw/zinc/29/41/73/599294173.db2.gz NIZRLODSPCKPOS-UHFFFAOYSA-N -1 3 392.445 0.976 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC1CCN(C(=O)C2CC2)CC1 ZINC000738088880 599296802 /nfs/dbraw/zinc/29/68/02/599296802.db2.gz MGOOLUKBAPVBEZ-UHFFFAOYSA-N -1 3 399.455 0.946 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738346966 599301646 /nfs/dbraw/zinc/30/16/46/599301646.db2.gz AXYIEZQUKHBSGD-LLVKDONJSA-N -1 3 398.876 0.615 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738346966 599301649 /nfs/dbraw/zinc/30/16/49/599301649.db2.gz AXYIEZQUKHBSGD-LLVKDONJSA-N -1 3 398.876 0.615 20 0 GCADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000736199710 599310193 /nfs/dbraw/zinc/31/01/93/599310193.db2.gz YAZWQBPOGICJDR-OAHLLOKOSA-N -1 3 385.472 0.404 20 0 GCADHM O=C(COC(=O)c1ccnc(-n2cncn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416023 607368101 /nfs/dbraw/zinc/36/81/01/607368101.db2.gz DUYRONOHMJAFCX-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM O=C(COC(=O)c1ccnc(-n2cncn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416023 607368103 /nfs/dbraw/zinc/36/81/03/607368103.db2.gz DUYRONOHMJAFCX-UHFFFAOYSA-N -1 3 376.336 0.882 20 0 GCADHM CC[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)N1CCCC1=O ZINC000820843442 599311768 /nfs/dbraw/zinc/31/17/68/599311768.db2.gz ZIWAJIBMOCJUSI-KRWDZBQOSA-N -1 3 397.483 0.912 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)C2)n[nH]1 ZINC000737755613 599316770 /nfs/dbraw/zinc/31/67/70/599316770.db2.gz NIJLZJUJUUEKQY-GFCCVEGCSA-N -1 3 396.411 0.474 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)C2)n[nH]1 ZINC000737755613 599316773 /nfs/dbraw/zinc/31/67/73/599316773.db2.gz NIJLZJUJUUEKQY-GFCCVEGCSA-N -1 3 396.411 0.474 20 0 GCADHM COCCCNC(=O)CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821687723 599320272 /nfs/dbraw/zinc/32/02/72/599320272.db2.gz LQJONAAYJAMJKZ-UHFFFAOYSA-N -1 3 377.424 0.281 20 0 GCADHM COCCCNC(=O)CN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821687723 599320274 /nfs/dbraw/zinc/32/02/74/599320274.db2.gz LQJONAAYJAMJKZ-UHFFFAOYSA-N -1 3 377.424 0.281 20 0 GCADHM CC[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCCC1=O ZINC000820842920 599320447 /nfs/dbraw/zinc/32/04/47/599320447.db2.gz QZGCIRXLSUZPGM-OAHLLOKOSA-N -1 3 398.471 0.748 20 0 GCADHM CC[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCCC1=O ZINC000820842920 599320449 /nfs/dbraw/zinc/32/04/49/599320449.db2.gz QZGCIRXLSUZPGM-OAHLLOKOSA-N -1 3 398.471 0.748 20 0 GCADHM O=S(=O)([C@H]1CCOC1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738319191 599324982 /nfs/dbraw/zinc/32/49/82/599324982.db2.gz SWPGLBGRTOBIGL-ZDUSSCGKSA-N -1 3 378.458 0.498 20 0 GCADHM O=S(=O)([C@H]1CCOC1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738319191 599324983 /nfs/dbraw/zinc/32/49/83/599324983.db2.gz SWPGLBGRTOBIGL-ZDUSSCGKSA-N -1 3 378.458 0.498 20 0 GCADHM O=S(=O)([C@@H]1CCOC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738320880 599325073 /nfs/dbraw/zinc/32/50/73/599325073.db2.gz YZXZSXXYPHRBPL-OAHLLOKOSA-N -1 3 379.442 0.829 20 0 GCADHM O=S(=O)([C@@H]1CCOC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738320880 599325075 /nfs/dbraw/zinc/32/50/75/599325075.db2.gz YZXZSXXYPHRBPL-OAHLLOKOSA-N -1 3 379.442 0.829 20 0 GCADHM COCCN(CCOC)S(=O)(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821690066 599325424 /nfs/dbraw/zinc/32/54/24/599325424.db2.gz XMXMZJYZDTYHFI-LBPRGKRZSA-N -1 3 384.462 0.357 20 0 GCADHM COCCN(CCOC)S(=O)(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821690066 599325426 /nfs/dbraw/zinc/32/54/26/599325426.db2.gz XMXMZJYZDTYHFI-LBPRGKRZSA-N -1 3 384.462 0.357 20 0 GCADHM CC(=O)N1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000735466074 599332569 /nfs/dbraw/zinc/33/25/69/599332569.db2.gz QJYNNWCGGXXQQO-UHFFFAOYSA-N -1 3 397.361 0.988 20 0 GCADHM CC(=O)N1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000735466074 599332571 /nfs/dbraw/zinc/33/25/71/599332571.db2.gz QJYNNWCGGXXQQO-UHFFFAOYSA-N -1 3 397.361 0.988 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737898370 599335792 /nfs/dbraw/zinc/33/57/92/599335792.db2.gz JFIUPSHDYMLWJO-NSHDSACASA-N -1 3 384.318 0.985 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000821663572 599338369 /nfs/dbraw/zinc/33/83/69/599338369.db2.gz DMPWZHOHWQSTCQ-UHFFFAOYSA-N -1 3 391.413 0.057 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821663572 599338371 /nfs/dbraw/zinc/33/83/71/599338371.db2.gz DMPWZHOHWQSTCQ-UHFFFAOYSA-N -1 3 391.413 0.057 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821663687 599338497 /nfs/dbraw/zinc/33/84/97/599338497.db2.gz JVUJOZXKUBCFRO-JTQLQIEISA-N -1 3 391.413 0.276 20 0 GCADHM NS(=O)(=O)c1cc(F)cc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737764552 599339100 /nfs/dbraw/zinc/33/91/00/599339100.db2.gz JGWJMMQAAUKEGZ-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1cc(F)cc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737764552 599339102 /nfs/dbraw/zinc/33/91/02/599339102.db2.gz JGWJMMQAAUKEGZ-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM O=S(=O)(CC1CCOCC1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823557845 599343102 /nfs/dbraw/zinc/34/31/02/599343102.db2.gz SKWRPAFJQZOTSB-UHFFFAOYSA-N -1 3 392.485 0.745 20 0 GCADHM O=S(=O)(CC1CCOCC1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823557845 599343105 /nfs/dbraw/zinc/34/31/05/599343105.db2.gz SKWRPAFJQZOTSB-UHFFFAOYSA-N -1 3 392.485 0.745 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCCN1c1cccnn1 ZINC000737921870 599346869 /nfs/dbraw/zinc/34/68/69/599346869.db2.gz YTRVKICHPOQYOA-AWEZNQCLSA-N -1 3 380.412 0.821 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCC[C@H](O)C(F)(F)F ZINC000737025730 599348204 /nfs/dbraw/zinc/34/82/04/599348204.db2.gz ZWYQAFXRCLTQDS-NSHDSACASA-N -1 3 375.307 0.684 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCC[C@H](O)C(F)(F)F ZINC000737025730 599348206 /nfs/dbraw/zinc/34/82/06/599348206.db2.gz ZWYQAFXRCLTQDS-NSHDSACASA-N -1 3 375.307 0.684 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCC[C@@H](O)C(F)(F)F)cc1 ZINC000737776707 599349543 /nfs/dbraw/zinc/34/95/43/599349543.db2.gz QEWDGVXUXUTDEI-LLVKDONJSA-N -1 3 396.333 0.678 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCC[C@@H](O)C(F)(F)F)cc1 ZINC000737776707 599349545 /nfs/dbraw/zinc/34/95/45/599349545.db2.gz QEWDGVXUXUTDEI-LLVKDONJSA-N -1 3 396.333 0.678 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NCCCOC1CCOCC1 ZINC000823567588 599350469 /nfs/dbraw/zinc/35/04/69/599350469.db2.gz SIKNADIMKLAONW-UHFFFAOYSA-N -1 3 381.458 0.872 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCCOC1CCOCC1 ZINC000823567588 599350472 /nfs/dbraw/zinc/35/04/72/599350472.db2.gz SIKNADIMKLAONW-UHFFFAOYSA-N -1 3 381.458 0.872 20 0 GCADHM C[C@H](NC(=O)N1CCC(CS(N)(=O)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736115669 599352354 /nfs/dbraw/zinc/35/23/54/599352354.db2.gz ZFENRLOXLIYVFH-NSHDSACASA-N -1 3 393.473 0.638 20 0 GCADHM C[C@H](NC(=O)N1CCC(CS(N)(=O)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736115669 599352356 /nfs/dbraw/zinc/35/23/56/599352356.db2.gz ZFENRLOXLIYVFH-NSHDSACASA-N -1 3 393.473 0.638 20 0 GCADHM CC[C@@H](O)CN1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000736382644 599357837 /nfs/dbraw/zinc/35/78/37/599357837.db2.gz NBVBHYPAGHVPFJ-CYBMUJFWSA-N -1 3 377.449 0.404 20 0 GCADHM O=C(NC[C@H](O)CO)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826432523 607781265 /nfs/dbraw/zinc/78/12/65/607781265.db2.gz DFIKLHWCGIHHPZ-NSHDSACASA-N -1 3 375.414 0.389 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCCN1c1cccnn1 ZINC000737896392 599366348 /nfs/dbraw/zinc/36/63/48/599366348.db2.gz XFKABFHNPWTSAH-OAHLLOKOSA-N -1 3 379.428 0.854 20 0 GCADHM C[C@@H](OC(=O)[C@@H](O)C1CCOCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736154619 599367126 /nfs/dbraw/zinc/36/71/26/599367126.db2.gz XBYUILZFXJSIMB-YGRLFVJLSA-N -1 3 375.385 0.524 20 0 GCADHM C[C@@H](OC(=O)[C@@H](O)C1CCOCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736154619 599367127 /nfs/dbraw/zinc/36/71/27/599367127.db2.gz XBYUILZFXJSIMB-YGRLFVJLSA-N -1 3 375.385 0.524 20 0 GCADHM O=S(=O)(NCc1nnnn1C1CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823583523 599372941 /nfs/dbraw/zinc/37/29/41/599372941.db2.gz RZTLEIGDUDMEHU-UHFFFAOYSA-N -1 3 381.809 0.320 20 0 GCADHM O=S(=O)(NCc1nnnn1C1CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823583523 599372943 /nfs/dbraw/zinc/37/29/43/599372943.db2.gz RZTLEIGDUDMEHU-UHFFFAOYSA-N -1 3 381.809 0.320 20 0 GCADHM COC(=O)[C@@](C)(NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)C1CC1 ZINC000736889634 599380951 /nfs/dbraw/zinc/38/09/51/599380951.db2.gz VMNGHXNQULRXDP-KRWDZBQOSA-N -1 3 375.385 0.712 20 0 GCADHM COC(=O)[C@@](C)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C1CC1 ZINC000736889634 599380953 /nfs/dbraw/zinc/38/09/53/599380953.db2.gz VMNGHXNQULRXDP-KRWDZBQOSA-N -1 3 375.385 0.712 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822527780 599381214 /nfs/dbraw/zinc/38/12/14/599381214.db2.gz DRYKFINMQSMYQH-UHFFFAOYSA-N -1 3 390.429 0.377 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822527780 599381217 /nfs/dbraw/zinc/38/12/17/599381217.db2.gz DRYKFINMQSMYQH-UHFFFAOYSA-N -1 3 390.429 0.377 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1cc(-n2cccn2)ccn1 ZINC000738078534 599384094 /nfs/dbraw/zinc/38/40/94/599384094.db2.gz RNNAWULSPDDONP-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cc(-n2cccn2)ccn1 ZINC000738078534 599384097 /nfs/dbraw/zinc/38/40/97/599384097.db2.gz RNNAWULSPDDONP-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)no1 ZINC000735656008 599385840 /nfs/dbraw/zinc/38/58/40/599385840.db2.gz FKTHNTUGWKYHOZ-UHFFFAOYSA-N -1 3 397.443 0.900 20 0 GCADHM CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)no1 ZINC000735656008 599385842 /nfs/dbraw/zinc/38/58/42/599385842.db2.gz FKTHNTUGWKYHOZ-UHFFFAOYSA-N -1 3 397.443 0.900 20 0 GCADHM CC(=O)NC(C)(C)C(N)=NOCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819805112 599386004 /nfs/dbraw/zinc/38/60/04/599386004.db2.gz ZEEVHCMXPXSJFC-UHFFFAOYSA-N -1 3 385.388 0.830 20 0 GCADHM CC(=O)NC(C)(C)C(N)=NOCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819805112 599386006 /nfs/dbraw/zinc/38/60/06/599386006.db2.gz ZEEVHCMXPXSJFC-UHFFFAOYSA-N -1 3 385.388 0.830 20 0 GCADHM CN(CCO)C(=O)c1ccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821602894 599386165 /nfs/dbraw/zinc/38/61/65/599386165.db2.gz ZVLVMWPHNNORSW-UHFFFAOYSA-N -1 3 396.407 0.949 20 0 GCADHM CN(CCO)C(=O)c1ccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821602894 599386167 /nfs/dbraw/zinc/38/61/67/599386167.db2.gz ZVLVMWPHNNORSW-UHFFFAOYSA-N -1 3 396.407 0.949 20 0 GCADHM NC(CN1CCOCC1)=NOCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822889873 599387302 /nfs/dbraw/zinc/38/73/02/599387302.db2.gz GYSROPHWIUCNJW-UHFFFAOYSA-N -1 3 385.388 0.247 20 0 GCADHM NC(CN1CCOCC1)=NOCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822889873 599387305 /nfs/dbraw/zinc/38/73/05/599387305.db2.gz GYSROPHWIUCNJW-UHFFFAOYSA-N -1 3 385.388 0.247 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC1(C)OCCO1 ZINC000820261054 599392351 /nfs/dbraw/zinc/39/23/51/599392351.db2.gz LOXGTYACVRRHQX-LBPRGKRZSA-N -1 3 388.428 0.502 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)CC1(C)OCCO1 ZINC000820261054 599392355 /nfs/dbraw/zinc/39/23/55/599392355.db2.gz LOXGTYACVRRHQX-LBPRGKRZSA-N -1 3 388.428 0.502 20 0 GCADHM CCN1C(=O)CN(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000736565256 599393137 /nfs/dbraw/zinc/39/31/37/599393137.db2.gz UFZTURCDJDJSIV-UHFFFAOYSA-N -1 3 385.428 0.952 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000737025617 599393791 /nfs/dbraw/zinc/39/37/91/599393791.db2.gz XWOSVDLLZDUWCD-WDEREUQCSA-N -1 3 395.441 0.288 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000737025617 599393793 /nfs/dbraw/zinc/39/37/93/599393793.db2.gz XWOSVDLLZDUWCD-WDEREUQCSA-N -1 3 395.441 0.288 20 0 GCADHM Cc1cc([C@@](C)(O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000822191711 599402766 /nfs/dbraw/zinc/40/27/66/599402766.db2.gz OXALVKCRPJPXTG-IBGZPJMESA-N -1 3 398.423 0.830 20 0 GCADHM Cc1cc([C@@](C)(O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000822191711 599402768 /nfs/dbraw/zinc/40/27/68/599402768.db2.gz OXALVKCRPJPXTG-IBGZPJMESA-N -1 3 398.423 0.830 20 0 GCADHM C[C@H](CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000820261716 599405290 /nfs/dbraw/zinc/40/52/90/599405290.db2.gz OXCRMRVZTMIXRI-CYBMUJFWSA-N -1 3 375.433 0.265 20 0 GCADHM NC(=O)c1cccc(CNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822890385 599407759 /nfs/dbraw/zinc/40/77/59/599407759.db2.gz TYIPJXBTDHHEGG-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM O=C(CN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)N1CCc2ccccc21 ZINC000737881389 599412593 /nfs/dbraw/zinc/41/25/93/599412593.db2.gz DLMVGCANFZBXAQ-UHFFFAOYSA-N -1 3 390.451 0.973 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)nc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823249783 599415219 /nfs/dbraw/zinc/41/52/19/599415219.db2.gz JEJAXVAZLSXKSH-UHFFFAOYSA-N -1 3 394.374 0.981 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)nc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823249783 599415221 /nfs/dbraw/zinc/41/52/21/599415221.db2.gz JEJAXVAZLSXKSH-UHFFFAOYSA-N -1 3 394.374 0.981 20 0 GCADHM O=C(NCCCOC1CCOCC1)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000823192332 599421585 /nfs/dbraw/zinc/42/15/85/599421585.db2.gz XDINIMVAJSOSPR-UHFFFAOYSA-N -1 3 390.448 0.559 20 0 GCADHM O=C(NCCCOC1CCOCC1)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000823192332 599421589 /nfs/dbraw/zinc/42/15/89/599421589.db2.gz XDINIMVAJSOSPR-UHFFFAOYSA-N -1 3 390.448 0.559 20 0 GCADHM CS(=O)(=O)CC1(CC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826222342 607376443 /nfs/dbraw/zinc/37/64/43/607376443.db2.gz TVYZKCXQNUYUBU-UHFFFAOYSA-N -1 3 378.410 0.808 20 0 GCADHM CS(=O)(=O)CC1(CC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826222342 607376445 /nfs/dbraw/zinc/37/64/45/607376445.db2.gz TVYZKCXQNUYUBU-UHFFFAOYSA-N -1 3 378.410 0.808 20 0 GCADHM CNC(=O)c1nn(Cc2cc(-c3nnn[n-]3)ccc2OC)c(=O)c2ccccc21 ZINC000821636557 607376724 /nfs/dbraw/zinc/37/67/24/607376724.db2.gz VDVLAZKKQVMBDQ-UHFFFAOYSA-N -1 3 391.391 0.993 20 0 GCADHM CNC(=O)c1nn(Cc2cc(-c3nn[n-]n3)ccc2OC)c(=O)c2ccccc21 ZINC000821636557 607376726 /nfs/dbraw/zinc/37/67/26/607376726.db2.gz VDVLAZKKQVMBDQ-UHFFFAOYSA-N -1 3 391.391 0.993 20 0 GCADHM C[C@@H](NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCOC1 ZINC000820358903 599430427 /nfs/dbraw/zinc/43/04/27/599430427.db2.gz QEODDSCTBBIETA-TZMCWYRMSA-N -1 3 386.460 0.955 20 0 GCADHM C[C@@H](NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCOC1 ZINC000820358903 599430429 /nfs/dbraw/zinc/43/04/29/599430429.db2.gz QEODDSCTBBIETA-TZMCWYRMSA-N -1 3 386.460 0.955 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000735466059 599433706 /nfs/dbraw/zinc/43/37/06/599433706.db2.gz PUVGLCYTUFMILK-UHFFFAOYSA-N -1 3 394.439 0.908 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000735466059 599433707 /nfs/dbraw/zinc/43/37/07/599433707.db2.gz PUVGLCYTUFMILK-UHFFFAOYSA-N -1 3 394.439 0.908 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820137856 599435583 /nfs/dbraw/zinc/43/55/83/599435583.db2.gz OMRQVTDWJUUEAI-UHFFFAOYSA-N -1 3 385.425 0.133 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820137856 599435585 /nfs/dbraw/zinc/43/55/85/599435585.db2.gz OMRQVTDWJUUEAI-UHFFFAOYSA-N -1 3 385.425 0.133 20 0 GCADHM COC(=O)CSCCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821662760 599436995 /nfs/dbraw/zinc/43/69/95/599436995.db2.gz RRFSKNRMDHOTMR-UHFFFAOYSA-N -1 3 380.430 0.451 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823211325 599443010 /nfs/dbraw/zinc/44/30/10/599443010.db2.gz NNDJQLDEHVHWRY-HNNXBMFYSA-N -1 3 376.417 0.740 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736229201 599446482 /nfs/dbraw/zinc/44/64/82/599446482.db2.gz LZOXTNJFDBPGIJ-NXEZZACHSA-N -1 3 398.876 0.966 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736229201 599446484 /nfs/dbraw/zinc/44/64/84/599446484.db2.gz LZOXTNJFDBPGIJ-NXEZZACHSA-N -1 3 398.876 0.966 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736229204 599446615 /nfs/dbraw/zinc/44/66/15/599446615.db2.gz LZOXTNJFDBPGIJ-ZJUUUORDSA-N -1 3 398.876 0.966 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736229204 599446618 /nfs/dbraw/zinc/44/66/18/599446618.db2.gz LZOXTNJFDBPGIJ-ZJUUUORDSA-N -1 3 398.876 0.966 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H](O)c1cnn(C)c1 ZINC000820033230 599446676 /nfs/dbraw/zinc/44/66/76/599446676.db2.gz SRRFTBGZXIUVRL-HOCLYGCPSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H](O)c1cnn(C)c1 ZINC000820033230 599446680 /nfs/dbraw/zinc/44/66/80/599446680.db2.gz SRRFTBGZXIUVRL-HOCLYGCPSA-N -1 3 385.428 0.853 20 0 GCADHM C[C@@H]1[C@H](C)N(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1(=O)=O ZINC000736229203 599446779 /nfs/dbraw/zinc/44/67/79/599446779.db2.gz LZOXTNJFDBPGIJ-VHSXEESVSA-N -1 3 398.876 0.966 20 0 GCADHM C[C@@H]1[C@H](C)N(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1(=O)=O ZINC000736229203 599446781 /nfs/dbraw/zinc/44/67/81/599446781.db2.gz LZOXTNJFDBPGIJ-VHSXEESVSA-N -1 3 398.876 0.966 20 0 GCADHM C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736231504 599447706 /nfs/dbraw/zinc/44/77/06/599447706.db2.gz XQINOUGEGKNLAM-NWDGAFQWSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736231504 599447707 /nfs/dbraw/zinc/44/77/07/599447707.db2.gz XQINOUGEGKNLAM-NWDGAFQWSA-N -1 3 378.458 0.703 20 0 GCADHM CC(=O)Nc1ccccc1CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819827612 599449545 /nfs/dbraw/zinc/44/95/45/599449545.db2.gz SVRHHKUURSDZHN-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM CC(=O)Nc1ccccc1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819827612 599449547 /nfs/dbraw/zinc/44/95/47/599449547.db2.gz SVRHHKUURSDZHN-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM CC(C)C(=O)N1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820010617 599451208 /nfs/dbraw/zinc/45/12/08/599451208.db2.gz AUKLRACAKRBHGJ-UHFFFAOYSA-N -1 3 387.444 0.755 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821441002 599452007 /nfs/dbraw/zinc/45/20/07/599452007.db2.gz GVVQGUOFRHWMJL-GFCCVEGCSA-N -1 3 396.473 0.710 20 0 GCADHM C[C@@H]1[C@H](C)N(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820643455 599453523 /nfs/dbraw/zinc/45/35/23/599453523.db2.gz WXEZDBUZCCSPHX-NWDGAFQWSA-N -1 3 394.457 0.463 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820643527 599453588 /nfs/dbraw/zinc/45/35/88/599453588.db2.gz WXEZDBUZCCSPHX-VXGBXAGGSA-N -1 3 394.457 0.463 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC000821326260 599463411 /nfs/dbraw/zinc/46/34/11/599463411.db2.gz WECZVZFAKNVKSN-ZDUSSCGKSA-N -1 3 378.364 0.479 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC000821326260 599463412 /nfs/dbraw/zinc/46/34/12/599463412.db2.gz WECZVZFAKNVKSN-ZDUSSCGKSA-N -1 3 378.364 0.479 20 0 GCADHM Cc1nsc(N2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000822531126 599465541 /nfs/dbraw/zinc/46/55/41/599465541.db2.gz UHLKMMMKTMIWOU-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1nsc(N2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000822531126 599465543 /nfs/dbraw/zinc/46/55/43/599465543.db2.gz UHLKMMMKTMIWOU-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM O=C(NCc1nnnn1C1CC1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823269786 599469721 /nfs/dbraw/zinc/46/97/21/599469721.db2.gz OULKQUSPBXPLKA-UHFFFAOYSA-N -1 3 395.431 0.220 20 0 GCADHM O=C(NCc1nnnn1C1CC1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823269786 599469723 /nfs/dbraw/zinc/46/97/23/599469723.db2.gz OULKQUSPBXPLKA-UHFFFAOYSA-N -1 3 395.431 0.220 20 0 GCADHM CC(=O)N1CCN(CCNc2c(-c3nnn[n-]3)cnc3c(C)cc(F)cc32)CC1 ZINC000819796880 599473643 /nfs/dbraw/zinc/47/36/43/599473643.db2.gz QGEIBJBVLHEORK-UHFFFAOYSA-N -1 3 398.446 0.860 20 0 GCADHM CC(=O)N1CCN(CCNc2c(-c3nn[n-]n3)cnc3c(C)cc(F)cc32)CC1 ZINC000819796880 599473644 /nfs/dbraw/zinc/47/36/44/599473644.db2.gz QGEIBJBVLHEORK-UHFFFAOYSA-N -1 3 398.446 0.860 20 0 GCADHM COCC(=O)NC1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821680687 599474683 /nfs/dbraw/zinc/47/46/83/599474683.db2.gz QTXVHGGJGWJPSP-LBPRGKRZSA-N -1 3 387.444 0.864 20 0 GCADHM COCC(=O)NC1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821680687 599474684 /nfs/dbraw/zinc/47/46/84/599474684.db2.gz QTXVHGGJGWJPSP-LBPRGKRZSA-N -1 3 387.444 0.864 20 0 GCADHM CCOC(=O)N[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821335085 599480205 /nfs/dbraw/zinc/48/02/05/599480205.db2.gz XQOUNRGZRZPBLO-JTQLQIEISA-N -1 3 395.445 0.229 20 0 GCADHM CCOC(=O)N[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821335085 599480206 /nfs/dbraw/zinc/48/02/06/599480206.db2.gz XQOUNRGZRZPBLO-JTQLQIEISA-N -1 3 395.445 0.229 20 0 GCADHM COCC(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000821680308 599481128 /nfs/dbraw/zinc/48/11/28/599481128.db2.gz FXLNELQTHJPLOX-UHFFFAOYSA-N -1 3 389.366 0.988 20 0 GCADHM COCC(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000821680308 599481129 /nfs/dbraw/zinc/48/11/29/599481129.db2.gz FXLNELQTHJPLOX-UHFFFAOYSA-N -1 3 389.366 0.988 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821636692 599482234 /nfs/dbraw/zinc/48/22/34/599482234.db2.gz ZAOOLXLWVOCVGN-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821636692 599482235 /nfs/dbraw/zinc/48/22/35/599482235.db2.gz ZAOOLXLWVOCVGN-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM CN(Cc1cccc(C(N)=O)c1)c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000821613622 599488040 /nfs/dbraw/zinc/48/80/40/599488040.db2.gz VQIIIZIUZDQARX-UHFFFAOYSA-N -1 3 387.425 0.249 20 0 GCADHM CN(Cc1cccc(C(N)=O)c1)c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000821613622 599488041 /nfs/dbraw/zinc/48/80/41/599488041.db2.gz VQIIIZIUZDQARX-UHFFFAOYSA-N -1 3 387.425 0.249 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)n1cncn1 ZINC000819865756 599490183 /nfs/dbraw/zinc/49/01/83/599490183.db2.gz HETAIFZVLFGKFC-NSHDSACASA-N -1 3 383.416 0.619 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)n1cncn1 ZINC000819865756 599490186 /nfs/dbraw/zinc/49/01/86/599490186.db2.gz HETAIFZVLFGKFC-NSHDSACASA-N -1 3 383.416 0.619 20 0 GCADHM O=C(CN1CCN(c2ccccn2)CC1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822997086 599490925 /nfs/dbraw/zinc/49/09/25/599490925.db2.gz MVRVPKIRZUPMEH-UHFFFAOYSA-N -1 3 396.430 0.839 20 0 GCADHM Cc1cnn(CC(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000822403524 599494037 /nfs/dbraw/zinc/49/40/37/599494037.db2.gz QRTIZTSZRWQWEN-UHFFFAOYSA-N -1 3 382.428 0.971 20 0 GCADHM Cc1cnn(CC(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000822403524 599494038 /nfs/dbraw/zinc/49/40/38/599494038.db2.gz QRTIZTSZRWQWEN-UHFFFAOYSA-N -1 3 382.428 0.971 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCc2cc(=O)c(O)co2)cc1 ZINC000737778225 599498401 /nfs/dbraw/zinc/49/84/01/599498401.db2.gz XYAUSNZYIABIJJ-UHFFFAOYSA-N -1 3 395.335 0.650 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCc2cc(=O)c(O)co2)cc1 ZINC000737778225 599498402 /nfs/dbraw/zinc/49/84/02/599498402.db2.gz XYAUSNZYIABIJJ-UHFFFAOYSA-N -1 3 395.335 0.650 20 0 GCADHM C[C@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333588 599499342 /nfs/dbraw/zinc/49/93/42/599499342.db2.gz DKUIDEYLBHSGJN-GWCFXTLKSA-N -1 3 381.483 0.964 20 0 GCADHM C[C@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333588 599499345 /nfs/dbraw/zinc/49/93/45/599499345.db2.gz DKUIDEYLBHSGJN-GWCFXTLKSA-N -1 3 381.483 0.964 20 0 GCADHM O=C(CS(=O)(=O)Cc1cscn1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737930457 599500214 /nfs/dbraw/zinc/50/02/14/599500214.db2.gz PSESFUXKNMDIDB-UHFFFAOYSA-N -1 3 378.439 0.554 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1CCN(C)CC1 ZINC000736987303 599503161 /nfs/dbraw/zinc/50/31/61/599503161.db2.gz FMIWYVAGVOEBEC-UHFFFAOYSA-N -1 3 390.492 0.507 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN1CCN(C)CC1 ZINC000736987303 599503163 /nfs/dbraw/zinc/50/31/63/599503163.db2.gz FMIWYVAGVOEBEC-UHFFFAOYSA-N -1 3 390.492 0.507 20 0 GCADHM C[C@H](NC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820321890 599503565 /nfs/dbraw/zinc/50/35/65/599503565.db2.gz NODLPWXGHMOYAX-TVRMLOFPSA-N -1 3 381.396 0.155 20 0 GCADHM C[C@H](NC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820321890 599503568 /nfs/dbraw/zinc/50/35/68/599503568.db2.gz NODLPWXGHMOYAX-TVRMLOFPSA-N -1 3 381.396 0.155 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ccc(Cl)nc1 ZINC000738074629 599506956 /nfs/dbraw/zinc/50/69/56/599506956.db2.gz KULUANCSDUNBHN-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ccc(Cl)nc1 ZINC000738074629 599506958 /nfs/dbraw/zinc/50/69/58/599506958.db2.gz KULUANCSDUNBHN-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC000826251989 607381720 /nfs/dbraw/zinc/38/17/20/607381720.db2.gz JPUSEMWGALARRM-UHFFFAOYSA-N -1 3 391.413 0.044 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCCNS(=O)(=O)c1cnn(C)c1 ZINC000826251989 607381722 /nfs/dbraw/zinc/38/17/22/607381722.db2.gz JPUSEMWGALARRM-UHFFFAOYSA-N -1 3 391.413 0.044 20 0 GCADHM O=S1(=O)CCCN1CCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000823613365 599507610 /nfs/dbraw/zinc/50/76/10/599507610.db2.gz HXQVBCHGVWJXPB-UHFFFAOYSA-N -1 3 393.860 0.938 20 0 GCADHM O=S1(=O)CCCN1CCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000823613365 599507612 /nfs/dbraw/zinc/50/76/12/599507612.db2.gz HXQVBCHGVWJXPB-UHFFFAOYSA-N -1 3 393.860 0.938 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC000737613269 599510027 /nfs/dbraw/zinc/51/00/27/599510027.db2.gz MZUWPRGYPFBYCK-UHFFFAOYSA-N -1 3 399.390 0.027 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC000737613269 599510029 /nfs/dbraw/zinc/51/00/29/599510029.db2.gz MZUWPRGYPFBYCK-UHFFFAOYSA-N -1 3 399.390 0.027 20 0 GCADHM Cc1noc(C)c1NC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737539050 599510115 /nfs/dbraw/zinc/51/01/15/599510115.db2.gz YAFQGGPIKLLCGC-UHFFFAOYSA-N -1 3 397.399 0.154 20 0 GCADHM Cc1noc(C)c1NC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737539050 599510116 /nfs/dbraw/zinc/51/01/16/599510116.db2.gz YAFQGGPIKLLCGC-UHFFFAOYSA-N -1 3 397.399 0.154 20 0 GCADHM Cc1noc(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)n1 ZINC000737546772 599512089 /nfs/dbraw/zinc/51/20/89/599512089.db2.gz QSWJHGCQXWOTAI-UHFFFAOYSA-N -1 3 394.298 0.414 20 0 GCADHM Cc1noc(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)n1 ZINC000737546772 599512091 /nfs/dbraw/zinc/51/20/91/599512091.db2.gz QSWJHGCQXWOTAI-UHFFFAOYSA-N -1 3 394.298 0.414 20 0 GCADHM CC(C)(O)CNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735680773 599512702 /nfs/dbraw/zinc/51/27/02/599512702.db2.gz YNNFCDMUQCHVAQ-UHFFFAOYSA-N -1 3 397.395 0.880 20 0 GCADHM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736890794 599513630 /nfs/dbraw/zinc/51/36/30/599513630.db2.gz FCPDNTCKJBMBOR-SNVBAGLBSA-N -1 3 390.400 0.518 20 0 GCADHM COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736890794 599513631 /nfs/dbraw/zinc/51/36/31/599513631.db2.gz FCPDNTCKJBMBOR-SNVBAGLBSA-N -1 3 390.400 0.518 20 0 GCADHM COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736976864 599513722 /nfs/dbraw/zinc/51/37/22/599513722.db2.gz RANSDWLDCMQMCX-HNNXBMFYSA-N -1 3 382.808 0.362 20 0 GCADHM COCC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736976864 599513724 /nfs/dbraw/zinc/51/37/24/599513724.db2.gz RANSDWLDCMQMCX-HNNXBMFYSA-N -1 3 382.808 0.362 20 0 GCADHM CN(CCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000736801487 599513988 /nfs/dbraw/zinc/51/39/88/599513988.db2.gz WQJNIFIPPDVAQK-UHFFFAOYSA-N -1 3 389.416 0.788 20 0 GCADHM CN(CCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000736801487 599513991 /nfs/dbraw/zinc/51/39/91/599513991.db2.gz WQJNIFIPPDVAQK-UHFFFAOYSA-N -1 3 389.416 0.788 20 0 GCADHM CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735692464 599514780 /nfs/dbraw/zinc/51/47/80/599514780.db2.gz IIQPEZINXGHKLB-MRXNPFEDSA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735692464 599514783 /nfs/dbraw/zinc/51/47/83/599514783.db2.gz IIQPEZINXGHKLB-MRXNPFEDSA-N -1 3 398.370 0.930 20 0 GCADHM CCS(=O)(=O)NCCNc1c(-c2nnn[n-]2)cnc2c(C)cc(C)cc21 ZINC000821440798 599516214 /nfs/dbraw/zinc/51/62/14/599516214.db2.gz CGXBOABWKJZDQK-UHFFFAOYSA-N -1 3 375.458 0.805 20 0 GCADHM CCS(=O)(=O)NCCNc1c(-c2nn[n-]n2)cnc2c(C)cc(C)cc21 ZINC000821440798 599516217 /nfs/dbraw/zinc/51/62/17/599516217.db2.gz CGXBOABWKJZDQK-UHFFFAOYSA-N -1 3 375.458 0.805 20 0 GCADHM CCC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736417422 599516423 /nfs/dbraw/zinc/51/64/23/599516423.db2.gz RRGPHEOACPAQFU-QGZVFWFLSA-N -1 3 376.417 0.871 20 0 GCADHM CCC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736417422 599516425 /nfs/dbraw/zinc/51/64/25/599516425.db2.gz RRGPHEOACPAQFU-QGZVFWFLSA-N -1 3 376.417 0.871 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000737287108 599516651 /nfs/dbraw/zinc/51/66/51/599516651.db2.gz BRAMSTDTLWYBPZ-XEUAEHQWSA-N -1 3 376.442 0.482 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000737287108 599516656 /nfs/dbraw/zinc/51/66/56/599516656.db2.gz BRAMSTDTLWYBPZ-XEUAEHQWSA-N -1 3 376.442 0.482 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[C@@H](O)C(F)(F)F ZINC000737057706 599516865 /nfs/dbraw/zinc/51/68/65/599516865.db2.gz IJZHJXRMKZACTE-SNVBAGLBSA-N -1 3 388.306 0.243 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[C@@H](O)C(F)(F)F ZINC000737057706 599516867 /nfs/dbraw/zinc/51/68/67/599516867.db2.gz IJZHJXRMKZACTE-SNVBAGLBSA-N -1 3 388.306 0.243 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@@H](C3OCCO3)C2)c(-c2nnn[n-]2)c1 ZINC000822894764 599517556 /nfs/dbraw/zinc/51/75/56/599517556.db2.gz FWJOMDJPFJVXEX-SNVBAGLBSA-N -1 3 380.430 0.103 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@@H](C3OCCO3)C2)c(-c2nn[n-]n2)c1 ZINC000822894764 599517557 /nfs/dbraw/zinc/51/75/57/599517557.db2.gz FWJOMDJPFJVXEX-SNVBAGLBSA-N -1 3 380.430 0.103 20 0 GCADHM CN(C)S(=O)(=O)c1cnn(CC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000736771056 599524842 /nfs/dbraw/zinc/52/48/42/599524842.db2.gz WZBNEVVUNPDANG-UHFFFAOYSA-N -1 3 382.431 0.014 20 0 GCADHM CN(C)S(=O)(=O)c1cnn(CC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000736771056 599524843 /nfs/dbraw/zinc/52/48/43/599524843.db2.gz WZBNEVVUNPDANG-UHFFFAOYSA-N -1 3 382.431 0.014 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821688016 599526236 /nfs/dbraw/zinc/52/62/36/599526236.db2.gz ZYOKNGZXXINGQE-CYBMUJFWSA-N -1 3 391.451 0.669 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821688016 599526238 /nfs/dbraw/zinc/52/62/38/599526238.db2.gz ZYOKNGZXXINGQE-CYBMUJFWSA-N -1 3 391.451 0.669 20 0 GCADHM COCCCNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821688017 599526528 /nfs/dbraw/zinc/52/65/28/599526528.db2.gz ZYOKNGZXXINGQE-ZDUSSCGKSA-N -1 3 391.451 0.669 20 0 GCADHM COCCCNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821688017 599526529 /nfs/dbraw/zinc/52/65/29/599526529.db2.gz ZYOKNGZXXINGQE-ZDUSSCGKSA-N -1 3 391.451 0.669 20 0 GCADHM C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)[C@H](C)N1CCOCC1 ZINC000820456067 599527739 /nfs/dbraw/zinc/52/77/39/599527739.db2.gz PKQVTSVEYUDBIT-MNOVXSKESA-N -1 3 381.462 0.035 20 0 GCADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820753600 599536008 /nfs/dbraw/zinc/53/60/08/599536008.db2.gz ZNGUNXISWSMNGI-GXTWGEPZSA-N -1 3 393.442 0.986 20 0 GCADHM c1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ncc1-c1nnn[n-]1 ZINC000738451403 599538351 /nfs/dbraw/zinc/53/83/51/599538351.db2.gz FLDIHDOUAZQYMP-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM c1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ncc1-c1nn[n-]n1 ZINC000738451403 599538354 /nfs/dbraw/zinc/53/83/54/599538354.db2.gz FLDIHDOUAZQYMP-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM C[C@@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327672 599539122 /nfs/dbraw/zinc/53/91/22/599539122.db2.gz IERXPVOFYFJUTB-SECBINFHSA-N -1 3 380.372 0.845 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC000820329541 599539147 /nfs/dbraw/zinc/53/91/47/599539147.db2.gz XJORTPJKYZCZBZ-QWHCGFSZSA-N -1 3 382.428 0.960 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC000820329541 599539150 /nfs/dbraw/zinc/53/91/50/599539150.db2.gz XJORTPJKYZCZBZ-QWHCGFSZSA-N -1 3 382.428 0.960 20 0 GCADHM C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323367 599539266 /nfs/dbraw/zinc/53/92/66/599539266.db2.gz YEVOPKXNLKYCIZ-LLVKDONJSA-N -1 3 378.458 0.716 20 0 GCADHM C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323367 599539269 /nfs/dbraw/zinc/53/92/69/599539269.db2.gz YEVOPKXNLKYCIZ-LLVKDONJSA-N -1 3 378.458 0.716 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2nnnn2-c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000822899395 599545721 /nfs/dbraw/zinc/54/57/21/599545721.db2.gz IQMBUBSXHFITGS-UHFFFAOYSA-N -1 3 398.412 0.102 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2nnnn2-c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000822899395 599545722 /nfs/dbraw/zinc/54/57/22/599545722.db2.gz IQMBUBSXHFITGS-UHFFFAOYSA-N -1 3 398.412 0.102 20 0 GCADHM C[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820391423 599552346 /nfs/dbraw/zinc/55/23/46/599552346.db2.gz PPSUJZXCPWUCHX-VIFPVBQESA-N -1 3 375.414 0.344 20 0 GCADHM C[C@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820391423 599552347 /nfs/dbraw/zinc/55/23/47/599552347.db2.gz PPSUJZXCPWUCHX-VIFPVBQESA-N -1 3 375.414 0.344 20 0 GCADHM Cc1nc(SCC(=O)N[C@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c(C)c1C ZINC000737482215 599558206 /nfs/dbraw/zinc/55/82/06/599558206.db2.gz FGEVBYJOSUBANM-NSHDSACASA-N -1 3 375.458 0.626 20 0 GCADHM Cc1nc(SCC(=O)N[C@H]2CCN(C)C2=O)c(-c2nn[n-]n2)c(C)c1C ZINC000737482215 599558208 /nfs/dbraw/zinc/55/82/08/599558208.db2.gz FGEVBYJOSUBANM-NSHDSACASA-N -1 3 375.458 0.626 20 0 GCADHM Cc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1S(N)(=O)=O ZINC000822226486 599558537 /nfs/dbraw/zinc/55/85/37/599558537.db2.gz UWUJOSXUUKSGJU-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM Cc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1S(N)(=O)=O ZINC000822226486 599558540 /nfs/dbraw/zinc/55/85/40/599558540.db2.gz UWUJOSXUUKSGJU-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM O=C(C1CC1)N1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000822912177 599559997 /nfs/dbraw/zinc/55/99/97/599559997.db2.gz PTSLGGCBCXKLRZ-UHFFFAOYSA-N -1 3 380.412 0.971 20 0 GCADHM O=C(C1CC1)N1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000822912177 599559998 /nfs/dbraw/zinc/55/99/98/599559998.db2.gz PTSLGGCBCXKLRZ-UHFFFAOYSA-N -1 3 380.412 0.971 20 0 GCADHM COCCN(CC(=O)N(C)C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821689104 599564910 /nfs/dbraw/zinc/56/49/10/599564910.db2.gz KTHRCJRCGURGTF-UHFFFAOYSA-N -1 3 386.416 0.453 20 0 GCADHM COCCN(CC(=O)N(C)C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821689104 599564912 /nfs/dbraw/zinc/56/49/12/599564912.db2.gz KTHRCJRCGURGTF-UHFFFAOYSA-N -1 3 386.416 0.453 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000737024578 599571384 /nfs/dbraw/zinc/57/13/84/599571384.db2.gz KPIZFVZZGDLIDG-ZDUSSCGKSA-N -1 3 398.427 0.784 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000737024578 599571387 /nfs/dbraw/zinc/57/13/87/599571387.db2.gz KPIZFVZZGDLIDG-ZDUSSCGKSA-N -1 3 398.427 0.784 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](O)c2c(F)cccc2F)c(-c2nnn[n-]2)c1 ZINC000822899865 599572238 /nfs/dbraw/zinc/57/22/38/599572238.db2.gz WOYDNPHGMHXILF-CYBMUJFWSA-N -1 3 396.379 0.938 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](O)c2c(F)cccc2F)c(-c2nn[n-]n2)c1 ZINC000822899865 599572241 /nfs/dbraw/zinc/57/22/41/599572241.db2.gz WOYDNPHGMHXILF-CYBMUJFWSA-N -1 3 396.379 0.938 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820295065 599574748 /nfs/dbraw/zinc/57/47/48/599574748.db2.gz XOPWREOSNJZQAM-JTQLQIEISA-N -1 3 377.430 0.782 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820295065 599574751 /nfs/dbraw/zinc/57/47/51/599574751.db2.gz XOPWREOSNJZQAM-JTQLQIEISA-N -1 3 377.430 0.782 20 0 GCADHM CC(C)[C@]1(C)NC(=O)N(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000735746789 599577402 /nfs/dbraw/zinc/57/74/02/599577402.db2.gz JOMPIKNULSNFES-IBGZPJMESA-N -1 3 398.471 0.913 20 0 GCADHM CC(C)[C@]1(C)NC(=O)N(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000735746789 599577405 /nfs/dbraw/zinc/57/74/05/599577405.db2.gz JOMPIKNULSNFES-IBGZPJMESA-N -1 3 398.471 0.913 20 0 GCADHM O=C(Cn1cc(Nc2ncc(-c3nnn[n-]3)cc2Cl)cn1)N1CCOCC1 ZINC000823118491 599577946 /nfs/dbraw/zinc/57/79/46/599577946.db2.gz AZONWMDRIHQOIE-UHFFFAOYSA-N -1 3 389.807 0.714 20 0 GCADHM O=C(Cn1cc(Nc2ncc(-c3nn[n-]n3)cc2Cl)cn1)N1CCOCC1 ZINC000823118491 599577948 /nfs/dbraw/zinc/57/79/48/599577948.db2.gz AZONWMDRIHQOIE-UHFFFAOYSA-N -1 3 389.807 0.714 20 0 GCADHM CN(C[C@H]1CCCO1)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736791280 599578024 /nfs/dbraw/zinc/57/80/24/599578024.db2.gz KUOIGCMMRVDNQW-RDTXWAMCSA-N -1 3 385.428 0.702 20 0 GCADHM CN(C[C@H]1CCCO1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736791280 599578027 /nfs/dbraw/zinc/57/80/27/599578027.db2.gz KUOIGCMMRVDNQW-RDTXWAMCSA-N -1 3 385.428 0.702 20 0 GCADHM C[C@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CCCO1 ZINC000736286860 599578047 /nfs/dbraw/zinc/57/80/47/599578047.db2.gz OAJCURIINCQFOM-SGTLLEGYSA-N -1 3 385.428 0.702 20 0 GCADHM C[C@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CCCO1 ZINC000736286860 599578050 /nfs/dbraw/zinc/57/80/50/599578050.db2.gz OAJCURIINCQFOM-SGTLLEGYSA-N -1 3 385.428 0.702 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CCCO1 ZINC000736288093 599578185 /nfs/dbraw/zinc/57/81/85/599578185.db2.gz QPPVLAOVKZVIHD-CYBMUJFWSA-N -1 3 385.428 0.699 20 0 GCADHM CC[C@H]1COCCN1CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736408780 599578242 /nfs/dbraw/zinc/57/82/42/599578242.db2.gz VFZDDQHRVWNXCE-HNNXBMFYSA-N -1 3 385.428 0.699 20 0 GCADHM CC[C@H]1COCCN1CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736408780 599578244 /nfs/dbraw/zinc/57/82/44/599578244.db2.gz VFZDDQHRVWNXCE-HNNXBMFYSA-N -1 3 385.428 0.699 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCn3ccnc3C2)C1=O ZINC000736221935 599578350 /nfs/dbraw/zinc/57/83/50/599578350.db2.gz CSBGYVOIDUFOIG-SFHVURJKSA-N -1 3 393.411 0.304 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCn3ccnc3C2)C1=O ZINC000736221935 599578352 /nfs/dbraw/zinc/57/83/52/599578352.db2.gz CSBGYVOIDUFOIG-SFHVURJKSA-N -1 3 393.411 0.304 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)NCCCN1CCCC1=O ZINC000826252242 607384893 /nfs/dbraw/zinc/38/48/93/607384893.db2.gz VTPSCQQOXMEEEZ-UHFFFAOYSA-N -1 3 386.412 0.461 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)NCCCN1CCCC1=O ZINC000826252242 607384896 /nfs/dbraw/zinc/38/48/96/607384896.db2.gz VTPSCQQOXMEEEZ-UHFFFAOYSA-N -1 3 386.412 0.461 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCCN(CC(F)(F)F)CC1 ZINC000737738364 599586304 /nfs/dbraw/zinc/58/63/04/599586304.db2.gz IJCLUPYKIRZCQK-ZDUSSCGKSA-N -1 3 383.378 0.963 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCCN(CC(F)(F)F)CC1 ZINC000737738364 599586306 /nfs/dbraw/zinc/58/63/06/599586306.db2.gz IJCLUPYKIRZCQK-ZDUSSCGKSA-N -1 3 383.378 0.963 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCS(=O)(=O)[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737550718 599586935 /nfs/dbraw/zinc/58/69/35/599586935.db2.gz BWCGQIQLJRCMGI-WCBMZHEXSA-N -1 3 382.446 0.522 20 0 GCADHM O=C(CN1CCNC(=O)[C@H]1c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737883061 599587911 /nfs/dbraw/zinc/58/79/11/599587911.db2.gz OPSVLMXYIHSGSU-GOSISDBHSA-N -1 3 391.435 0.656 20 0 GCADHM O=C(CN1CCNC(=O)[C@H]1c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737883061 599587914 /nfs/dbraw/zinc/58/79/14/599587914.db2.gz OPSVLMXYIHSGSU-GOSISDBHSA-N -1 3 391.435 0.656 20 0 GCADHM CS(=O)(=O)CCOCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821926859 599591445 /nfs/dbraw/zinc/59/14/45/599591445.db2.gz NCZYZKPHGIGVNQ-UHFFFAOYSA-N -1 3 398.395 0.588 20 0 GCADHM CS(=O)(=O)CCOCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821926859 599591447 /nfs/dbraw/zinc/59/14/47/599591447.db2.gz NCZYZKPHGIGVNQ-UHFFFAOYSA-N -1 3 398.395 0.588 20 0 GCADHM CCN(CC(=O)NC)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000736511873 599593871 /nfs/dbraw/zinc/59/38/71/599593871.db2.gz UINFKNYEKOUEIE-UHFFFAOYSA-N -1 3 392.363 0.642 20 0 GCADHM CCNC(=O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821285587 599596450 /nfs/dbraw/zinc/59/64/50/599596450.db2.gz LCTGUCBUSMVDLC-UHFFFAOYSA-N -1 3 385.306 0.076 20 0 GCADHM CCNC(=O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821285587 599596451 /nfs/dbraw/zinc/59/64/51/599596451.db2.gz LCTGUCBUSMVDLC-UHFFFAOYSA-N -1 3 385.306 0.076 20 0 GCADHM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821277231 599596654 /nfs/dbraw/zinc/59/66/54/599596654.db2.gz SFZOTSLXGDOROU-SSDOTTSWSA-N -1 3 399.333 0.465 20 0 GCADHM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821277231 599596655 /nfs/dbraw/zinc/59/66/55/599596655.db2.gz SFZOTSLXGDOROU-SSDOTTSWSA-N -1 3 399.333 0.465 20 0 GCADHM CN1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1=O ZINC000736855330 599596937 /nfs/dbraw/zinc/59/69/37/599596937.db2.gz KBFZCPLUDSVXQA-SECBINFHSA-N -1 3 390.347 0.395 20 0 GCADHM CN1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1=O ZINC000736855330 599596939 /nfs/dbraw/zinc/59/69/39/599596939.db2.gz KBFZCPLUDSVXQA-SECBINFHSA-N -1 3 390.347 0.395 20 0 GCADHM CCOC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000821325599 599599401 /nfs/dbraw/zinc/59/94/01/599599401.db2.gz HFZPUNNTYCCBMI-UHFFFAOYSA-N -1 3 386.412 0.915 20 0 GCADHM CCOC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000821325599 599599403 /nfs/dbraw/zinc/59/94/03/599599403.db2.gz HFZPUNNTYCCBMI-UHFFFAOYSA-N -1 3 386.412 0.915 20 0 GCADHM CNC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821632639 599601350 /nfs/dbraw/zinc/60/13/50/599601350.db2.gz BJZLDRFSJNACHK-UHFFFAOYSA-N -1 3 385.306 0.076 20 0 GCADHM CNC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821632639 599601351 /nfs/dbraw/zinc/60/13/51/599601351.db2.gz BJZLDRFSJNACHK-UHFFFAOYSA-N -1 3 385.306 0.076 20 0 GCADHM CC(C)c1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)no1 ZINC000820187688 599602514 /nfs/dbraw/zinc/60/25/14/599602514.db2.gz MRBNYDKPRNPUTM-UHFFFAOYSA-N -1 3 385.388 0.540 20 0 GCADHM CC(C)c1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)no1 ZINC000820187688 599602515 /nfs/dbraw/zinc/60/25/15/599602515.db2.gz MRBNYDKPRNPUTM-UHFFFAOYSA-N -1 3 385.388 0.540 20 0 GCADHM CN1CC[C@@H](NC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1=O ZINC000736855180 599602587 /nfs/dbraw/zinc/60/25/87/599602587.db2.gz JGCGEGMHVBJXCL-OAHLLOKOSA-N -1 3 385.428 0.650 20 0 GCADHM CN1CC[C@@H](NC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1=O ZINC000736855180 599602588 /nfs/dbraw/zinc/60/25/88/599602588.db2.gz JGCGEGMHVBJXCL-OAHLLOKOSA-N -1 3 385.428 0.650 20 0 GCADHM CN1CC[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)C1=O ZINC000736855468 599602635 /nfs/dbraw/zinc/60/26/35/599602635.db2.gz KXUVRPLATNPNBN-CYBMUJFWSA-N -1 3 388.407 0.068 20 0 GCADHM CN1CC[C@@H](NC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000736858436 599602703 /nfs/dbraw/zinc/60/27/03/599602703.db2.gz XHXLILWFOCPDMJ-CQSZACIVSA-N -1 3 384.444 0.319 20 0 GCADHM CN1CC[C@@H](NC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000736858436 599602705 /nfs/dbraw/zinc/60/27/05/599602705.db2.gz XHXLILWFOCPDMJ-CQSZACIVSA-N -1 3 384.444 0.319 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822315093 599602797 /nfs/dbraw/zinc/60/27/97/599602797.db2.gz ZCKARYXLIHVRKJ-SNVBAGLBSA-N -1 3 397.361 0.866 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000822315093 599602798 /nfs/dbraw/zinc/60/27/98/599602798.db2.gz ZCKARYXLIHVRKJ-SNVBAGLBSA-N -1 3 397.361 0.866 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC2CCN(CC(F)F)CC2)c1-c1nnn[n-]1 ZINC000822312688 599602884 /nfs/dbraw/zinc/60/28/84/599602884.db2.gz ILJLCUFKGQMKDG-UHFFFAOYSA-N -1 3 393.398 0.959 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC2CCN(CC(F)F)CC2)c1-c1nn[n-]n1 ZINC000822312688 599602886 /nfs/dbraw/zinc/60/28/86/599602886.db2.gz ILJLCUFKGQMKDG-UHFFFAOYSA-N -1 3 393.398 0.959 20 0 GCADHM Cc1noc(C)c1C[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737538332 599604312 /nfs/dbraw/zinc/60/43/12/599604312.db2.gz NLOXPIGEWJONQZ-SNVBAGLBSA-N -1 3 383.412 0.949 20 0 GCADHM Cc1noc(C)c1C[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737538332 599604313 /nfs/dbraw/zinc/60/43/13/599604313.db2.gz NLOXPIGEWJONQZ-SNVBAGLBSA-N -1 3 383.412 0.949 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000822312692 599604460 /nfs/dbraw/zinc/60/44/60/599604460.db2.gz IMPDGMKDIRJIQV-STQMWFEESA-N -1 3 387.444 0.339 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000822312692 599604461 /nfs/dbraw/zinc/60/44/61/599604461.db2.gz IMPDGMKDIRJIQV-STQMWFEESA-N -1 3 387.444 0.339 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821441332 599605377 /nfs/dbraw/zinc/60/53/77/599605377.db2.gz KJTQPRUYUHGNFQ-NSHDSACASA-N -1 3 394.457 0.395 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821441332 599605378 /nfs/dbraw/zinc/60/53/78/599605378.db2.gz KJTQPRUYUHGNFQ-NSHDSACASA-N -1 3 394.457 0.395 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1-c1nnn[n-]1 ZINC000822314003 599605724 /nfs/dbraw/zinc/60/57/24/599605724.db2.gz QTYMFINAKNLFIU-OLZOCXBDSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)c1-c1nn[n-]n1 ZINC000822314003 599605726 /nfs/dbraw/zinc/60/57/26/599605726.db2.gz QTYMFINAKNLFIU-OLZOCXBDSA-N -1 3 399.455 0.877 20 0 GCADHM COCCOC1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000821691869 599606775 /nfs/dbraw/zinc/60/67/75/599606775.db2.gz HMZYGHSTHRRKPA-UHFFFAOYSA-N -1 3 388.428 0.768 20 0 GCADHM COCCOC1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000821691869 599606777 /nfs/dbraw/zinc/60/67/77/599606777.db2.gz HMZYGHSTHRRKPA-UHFFFAOYSA-N -1 3 388.428 0.768 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C[C@@H]1C ZINC000821690924 599607051 /nfs/dbraw/zinc/60/70/51/599607051.db2.gz BFJBSOGWVXQNAC-ZDUSSCGKSA-N -1 3 387.444 0.293 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C[C@@H]1C ZINC000821690924 599607053 /nfs/dbraw/zinc/60/70/53/599607053.db2.gz BFJBSOGWVXQNAC-ZDUSSCGKSA-N -1 3 387.444 0.293 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)c1-c1nnn[n-]1 ZINC000822319450 599607374 /nfs/dbraw/zinc/60/73/74/599607374.db2.gz SAYNVTCHHRVIOX-UHFFFAOYSA-N -1 3 394.457 0.443 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC000822319450 599607375 /nfs/dbraw/zinc/60/73/75/599607375.db2.gz SAYNVTCHHRVIOX-UHFFFAOYSA-N -1 3 394.457 0.443 20 0 GCADHM O=C(NCCn1cncn1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823229443 599608064 /nfs/dbraw/zinc/60/80/64/599608064.db2.gz RQRXCTNBKLSLAR-UHFFFAOYSA-N -1 3 395.305 0.232 20 0 GCADHM O=C(NCCn1cncn1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823229443 599608066 /nfs/dbraw/zinc/60/80/66/599608066.db2.gz RQRXCTNBKLSLAR-UHFFFAOYSA-N -1 3 395.305 0.232 20 0 GCADHM Cc1noc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000822527842 599608077 /nfs/dbraw/zinc/60/80/77/599608077.db2.gz GSQFVAMABSDKFI-UHFFFAOYSA-N -1 3 396.289 0.832 20 0 GCADHM Cc1noc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000822527842 599608079 /nfs/dbraw/zinc/60/80/79/599608079.db2.gz GSQFVAMABSDKFI-UHFFFAOYSA-N -1 3 396.289 0.832 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000822680894 599611095 /nfs/dbraw/zinc/61/10/95/599611095.db2.gz QTRNYLCESYAYJU-CQSZACIVSA-N -1 3 395.427 0.324 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822680894 599611097 /nfs/dbraw/zinc/61/10/97/599611097.db2.gz QTRNYLCESYAYJU-CQSZACIVSA-N -1 3 395.427 0.324 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)C2 ZINC000737489442 599612922 /nfs/dbraw/zinc/61/29/22/599612922.db2.gz INVCOJKMKYJALJ-UHFFFAOYSA-N -1 3 382.432 0.712 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)C2 ZINC000737489442 599612924 /nfs/dbraw/zinc/61/29/24/599612924.db2.gz INVCOJKMKYJALJ-UHFFFAOYSA-N -1 3 382.432 0.712 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H]1Cn1cccn1 ZINC000738076667 599613639 /nfs/dbraw/zinc/61/36/39/599613639.db2.gz ZIWKRGLSAFQTGC-CQSZACIVSA-N -1 3 382.432 0.744 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H]1Cn1cccn1 ZINC000738076667 599613641 /nfs/dbraw/zinc/61/36/41/599613641.db2.gz ZIWKRGLSAFQTGC-CQSZACIVSA-N -1 3 382.432 0.744 20 0 GCADHM O=C(NC[C@H]1CCC[C@H]1O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823175481 599614970 /nfs/dbraw/zinc/61/49/70/599614970.db2.gz JPELLDDWPUKZLF-MWLCHTKSSA-N -1 3 396.354 0.684 20 0 GCADHM O=C(NC[C@H]1CCC[C@H]1O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823175481 599614971 /nfs/dbraw/zinc/61/49/71/599614971.db2.gz JPELLDDWPUKZLF-MWLCHTKSSA-N -1 3 396.354 0.684 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000821755265 599615706 /nfs/dbraw/zinc/61/57/06/599615706.db2.gz CWSMQBYZPYDZKF-JTQLQIEISA-N -1 3 390.400 0.518 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](C)C(=O)OC(C)C ZINC000821755265 599615708 /nfs/dbraw/zinc/61/57/08/599615708.db2.gz CWSMQBYZPYDZKF-JTQLQIEISA-N -1 3 390.400 0.518 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000821755266 599615822 /nfs/dbraw/zinc/61/58/22/599615822.db2.gz CWSMQBYZPYDZKF-SNVBAGLBSA-N -1 3 390.400 0.518 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](C)C(=O)OC(C)C ZINC000821755266 599615824 /nfs/dbraw/zinc/61/58/24/599615824.db2.gz CWSMQBYZPYDZKF-SNVBAGLBSA-N -1 3 390.400 0.518 20 0 GCADHM Cc1ccoc1C(=O)NCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737445515 599616681 /nfs/dbraw/zinc/61/66/81/599616681.db2.gz QALNJXKJBZHVCI-UHFFFAOYSA-N -1 3 397.395 0.643 20 0 GCADHM Cc1ccoc1C(=O)NCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737445515 599616682 /nfs/dbraw/zinc/61/66/82/599616682.db2.gz QALNJXKJBZHVCI-UHFFFAOYSA-N -1 3 397.395 0.643 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820315919 599617044 /nfs/dbraw/zinc/61/70/44/599617044.db2.gz QSTUIWQZZGUBQA-JTQLQIEISA-N -1 3 379.380 0.782 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cccc(C(N)=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820315919 599617046 /nfs/dbraw/zinc/61/70/46/599617046.db2.gz QSTUIWQZZGUBQA-JTQLQIEISA-N -1 3 379.380 0.782 20 0 GCADHM 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/nfs/dbraw/zinc/54/66/28/607546628.db2.gz DRWWUIQCOBBFOL-CQSZACIVSA-N -1 3 394.501 0.906 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC(N3CCCC3=O)CC2)c1-c1nnn[n-]1 ZINC000826301315 607547143 /nfs/dbraw/zinc/54/71/43/607547143.db2.gz AIJSLFKEDQKZLB-UHFFFAOYSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC(N3CCCC3=O)CC2)c1-c1nn[n-]n1 ZINC000826301315 607547144 /nfs/dbraw/zinc/54/71/44/607547144.db2.gz AIJSLFKEDQKZLB-UHFFFAOYSA-N -1 3 390.469 0.951 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083730 607553136 /nfs/dbraw/zinc/55/31/36/607553136.db2.gz PADCKATUNRLKJK-LBPRGKRZSA-N -1 3 382.471 0.109 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083730 607553138 /nfs/dbraw/zinc/55/31/38/607553138.db2.gz PADCKATUNRLKJK-LBPRGKRZSA-N -1 3 382.471 0.109 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000830935068 602221658 /nfs/dbraw/zinc/22/16/58/602221658.db2.gz OICBASXJQZTEBR-GFCCVEGCSA-N -1 3 387.483 0.373 20 0 GCADHM Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1C(=O)[O-] ZINC000832954802 602222477 /nfs/dbraw/zinc/22/24/77/602222477.db2.gz QNQFIDCPYZVVOQ-MRXNPFEDSA-N -1 3 395.481 0.620 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000826084389 607555095 /nfs/dbraw/zinc/55/50/95/607555095.db2.gz ZKZVWVRUEQRJOC-SNVBAGLBSA-N -1 3 399.864 0.082 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000826084389 607555097 /nfs/dbraw/zinc/55/50/97/607555097.db2.gz ZKZVWVRUEQRJOC-SNVBAGLBSA-N -1 3 399.864 0.082 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C1 ZINC000826083732 607556133 /nfs/dbraw/zinc/55/61/33/607556133.db2.gz PAENDPXCPRQJQC-NSHDSACASA-N -1 3 388.400 0.592 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1 ZINC000826083732 607556135 /nfs/dbraw/zinc/55/61/35/607556135.db2.gz PAENDPXCPRQJQC-NSHDSACASA-N -1 3 388.400 0.592 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826083333 607556318 /nfs/dbraw/zinc/55/63/18/607556318.db2.gz ITEFEGDJTXDQRK-SNVBAGLBSA-N -1 3 399.864 0.082 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826083333 607556320 /nfs/dbraw/zinc/55/63/20/607556320.db2.gz ITEFEGDJTXDQRK-SNVBAGLBSA-N -1 3 399.864 0.082 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000826083065 607556460 /nfs/dbraw/zinc/55/64/60/607556460.db2.gz HVDKEHYPQJCBKG-GXSJLCMTSA-N -1 3 397.461 0.027 20 0 GCADHM COC[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CC1 ZINC000826149433 607557999 /nfs/dbraw/zinc/55/79/99/607557999.db2.gz HLTRDKWUBQPHKC-LLVKDONJSA-N -1 3 396.354 0.948 20 0 GCADHM COC[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CC1 ZINC000826149433 607558001 /nfs/dbraw/zinc/55/80/01/607558001.db2.gz HLTRDKWUBQPHKC-LLVKDONJSA-N -1 3 396.354 0.948 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826185054 607560028 /nfs/dbraw/zinc/56/00/28/607560028.db2.gz WXEVDFNQYFRHLS-OLZOCXBDSA-N -1 3 386.412 0.699 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826185054 607560029 /nfs/dbraw/zinc/56/00/29/607560029.db2.gz WXEVDFNQYFRHLS-OLZOCXBDSA-N -1 3 386.412 0.699 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825069135 607562845 /nfs/dbraw/zinc/56/28/45/607562845.db2.gz YIGZWOXTWJBEFD-LLVKDONJSA-N -1 3 375.433 0.979 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825069135 607562847 /nfs/dbraw/zinc/56/28/47/607562847.db2.gz YIGZWOXTWJBEFD-LLVKDONJSA-N -1 3 375.433 0.979 20 0 GCADHM COc1ccc(CNC(=O)NCC(C)(C)NS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826199233 607565032 /nfs/dbraw/zinc/56/50/32/607565032.db2.gz SXMLBOQIZVFMAG-UHFFFAOYSA-N -1 3 397.461 0.002 20 0 GCADHM COc1ccc(CNC(=O)NCC(C)(C)NS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826199233 607565034 /nfs/dbraw/zinc/56/50/34/607565034.db2.gz SXMLBOQIZVFMAG-UHFFFAOYSA-N -1 3 397.461 0.002 20 0 GCADHM COc1ccc(CNC(=O)NCCNC(=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826200046 607565147 /nfs/dbraw/zinc/56/51/47/607565147.db2.gz WRECTHIULGNEHX-UHFFFAOYSA-N -1 3 375.433 0.837 20 0 GCADHM COc1ccc(CNC(=O)NCCNC(=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826200046 607565148 /nfs/dbraw/zinc/56/51/48/607565148.db2.gz WRECTHIULGNEHX-UHFFFAOYSA-N -1 3 375.433 0.837 20 0 GCADHM COc1ccc(CNC(=O)NCCC(=O)NC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826199640 607565159 /nfs/dbraw/zinc/56/51/59/607565159.db2.gz GQAHGSVKUAXZOS-UHFFFAOYSA-N -1 3 375.433 0.979 20 0 GCADHM COc1ccc(CNC(=O)NCCC(=O)NC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826199640 607565160 /nfs/dbraw/zinc/56/51/60/607565160.db2.gz GQAHGSVKUAXZOS-UHFFFAOYSA-N -1 3 375.433 0.979 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000826501493 607565321 /nfs/dbraw/zinc/56/53/21/607565321.db2.gz SQBXIWNMPNUQAL-UHFFFAOYSA-N -1 3 377.361 0.248 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000826501493 607565322 /nfs/dbraw/zinc/56/53/22/607565322.db2.gz SQBXIWNMPNUQAL-UHFFFAOYSA-N -1 3 377.361 0.248 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cc1-c1nnn[n-]1 ZINC000826198518 607565417 /nfs/dbraw/zinc/56/54/17/607565417.db2.gz AMMFDLIANLCCBZ-QWHCGFSZSA-N -1 3 389.460 0.784 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000826198518 607565419 /nfs/dbraw/zinc/56/54/19/607565419.db2.gz AMMFDLIANLCCBZ-QWHCGFSZSA-N -1 3 389.460 0.784 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1-c1nnn[n-]1 ZINC000826198519 607565608 /nfs/dbraw/zinc/56/56/08/607565608.db2.gz AMMFDLIANLCCBZ-STQMWFEESA-N -1 3 389.460 0.784 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000826198519 607565609 /nfs/dbraw/zinc/56/56/09/607565609.db2.gz AMMFDLIANLCCBZ-STQMWFEESA-N -1 3 389.460 0.784 20 0 GCADHM O=C(c1cnn2c1CCCC2)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826474730 607567766 /nfs/dbraw/zinc/56/77/66/607567766.db2.gz CCZSDPYAOPIHIH-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM O=C(c1cnn2c1CCCC2)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826474730 607567768 /nfs/dbraw/zinc/56/77/68/607567768.db2.gz CCZSDPYAOPIHIH-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)N1CCSCC1 ZINC000824041223 607568794 /nfs/dbraw/zinc/56/87/94/607568794.db2.gz ZNFNGUUIEDZDFL-ZDUSSCGKSA-N -1 3 388.501 0.348 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)CCS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826198745 607569316 /nfs/dbraw/zinc/56/93/16/607569316.db2.gz HLKDYYKTRPNVOD-JTQLQIEISA-N -1 3 382.446 0.498 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)CCS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826198745 607569318 /nfs/dbraw/zinc/56/93/18/607569318.db2.gz HLKDYYKTRPNVOD-JTQLQIEISA-N -1 3 382.446 0.498 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)N1CCSCC1 ZINC000824039051 607569590 /nfs/dbraw/zinc/56/95/90/607569590.db2.gz CEADYFLVJBFVJE-AWEZNQCLSA-N -1 3 387.513 0.953 20 0 GCADHM COc1ccc(CNC(=O)NCc2cnc(N(C)C)n2C)cc1-c1nnn[n-]1 ZINC000826200471 607569712 /nfs/dbraw/zinc/56/97/12/607569712.db2.gz RFQGXYANMPDCHH-UHFFFAOYSA-N -1 3 385.432 0.674 20 0 GCADHM COc1ccc(CNC(=O)NCc2cnc(N(C)C)n2C)cc1-c1nn[n-]n1 ZINC000826200471 607569715 /nfs/dbraw/zinc/56/97/15/607569715.db2.gz RFQGXYANMPDCHH-UHFFFAOYSA-N -1 3 385.432 0.674 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826399435 607569825 /nfs/dbraw/zinc/56/98/25/607569825.db2.gz VTJAGAHJUYPSFX-AWEZNQCLSA-N -1 3 379.428 0.369 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826399435 607569827 /nfs/dbraw/zinc/56/98/27/607569827.db2.gz VTJAGAHJUYPSFX-AWEZNQCLSA-N -1 3 379.428 0.369 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCSCC1 ZINC000824040261 607569859 /nfs/dbraw/zinc/56/98/59/607569859.db2.gz NXVBKQKNMLQAMW-ZDUSSCGKSA-N -1 3 388.501 0.348 20 0 GCADHM COc1ccc(CNC(=O)NCCN2CCOC(C)(C)C2)cc1-c1nnn[n-]1 ZINC000826200055 607569869 /nfs/dbraw/zinc/56/98/69/607569869.db2.gz WVZZLQIILFKQKM-UHFFFAOYSA-N -1 3 389.460 0.785 20 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ZINC000826116578 607566240 /nfs/dbraw/zinc/56/62/40/607566240.db2.gz AUXOKYJULHXRBC-ZFWWWQNUSA-N -1 3 397.395 0.787 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CCc2nnc(C)n2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116578 607566242 /nfs/dbraw/zinc/56/62/42/607566242.db2.gz AUXOKYJULHXRBC-ZFWWWQNUSA-N -1 3 397.395 0.787 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826337573 607566295 /nfs/dbraw/zinc/56/62/95/607566295.db2.gz TUAVWSLONMDQSH-GXTWGEPZSA-N -1 3 382.384 0.099 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826337573 607566298 /nfs/dbraw/zinc/56/62/98/607566298.db2.gz TUAVWSLONMDQSH-GXTWGEPZSA-N -1 3 382.384 0.099 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825659601 607572411 /nfs/dbraw/zinc/57/24/11/607572411.db2.gz WGCOULWTSVXGGE-NSHDSACASA-N -1 3 396.473 0.840 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825659601 607572413 /nfs/dbraw/zinc/57/24/13/607572413.db2.gz WGCOULWTSVXGGE-NSHDSACASA-N -1 3 396.473 0.840 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(C(=O)C(C)C)CC2)cc1-c1nnn[n-]1 ZINC000826197806 607572500 /nfs/dbraw/zinc/57/25/00/607572500.db2.gz DMNQECPLHBBFKH-UHFFFAOYSA-N -1 3 387.444 0.885 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(C(=O)C(C)C)CC2)cc1-c1nn[n-]n1 ZINC000826197806 607572501 /nfs/dbraw/zinc/57/25/01/607572501.db2.gz DMNQECPLHBBFKH-UHFFFAOYSA-N -1 3 387.444 0.885 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1-c1nnn[n-]1 ZINC000826198201 607576406 /nfs/dbraw/zinc/57/64/06/607576406.db2.gz QBEFRSMSSMHIEK-CVEARBPZSA-N -1 3 388.428 0.965 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)cc1-c1nn[n-]n1 ZINC000826198201 607576407 /nfs/dbraw/zinc/57/64/07/607576407.db2.gz QBEFRSMSSMHIEK-CVEARBPZSA-N -1 3 388.428 0.965 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825838606 607579739 /nfs/dbraw/zinc/57/97/39/607579739.db2.gz BABVMFYPHZLPCW-LLVKDONJSA-N -1 3 384.849 0.761 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)o2)cc1-c1nnn[n-]1 ZINC000826201511 607580474 /nfs/dbraw/zinc/58/04/74/607580474.db2.gz TZNMYYRLNOVCQR-UHFFFAOYSA-N -1 3 377.382 0.802 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)o2)cc1-c1nn[n-]n1 ZINC000826201511 607580476 /nfs/dbraw/zinc/58/04/76/607580476.db2.gz TZNMYYRLNOVCQR-UHFFFAOYSA-N -1 3 377.382 0.802 20 0 GCADHM CC(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000824192640 607581591 /nfs/dbraw/zinc/58/15/91/607581591.db2.gz KUIGDLOLWMQZCT-CQSZACIVSA-N -1 3 398.464 0.641 20 0 GCADHM CC(C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000824192640 607581593 /nfs/dbraw/zinc/58/15/93/607581593.db2.gz KUIGDLOLWMQZCT-CQSZACIVSA-N -1 3 398.464 0.641 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826303172 607582329 /nfs/dbraw/zinc/58/23/29/607582329.db2.gz CNYXFVVNQAWGOV-KBPBESRZSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826303172 607582330 /nfs/dbraw/zinc/58/23/30/607582330.db2.gz CNYXFVVNQAWGOV-KBPBESRZSA-N -1 3 394.501 0.953 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)COc2ccccc2)cc1-c1nnn[n-]1 ZINC000826197501 607583203 /nfs/dbraw/zinc/58/32/03/607583203.db2.gz RMBBRMWBRDHSHX-UHFFFAOYSA-N -1 3 396.407 0.687 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)COc2ccccc2)cc1-c1nn[n-]n1 ZINC000826197501 607583204 /nfs/dbraw/zinc/58/32/04/607583204.db2.gz RMBBRMWBRDHSHX-UHFFFAOYSA-N -1 3 396.407 0.687 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826428801 607584072 /nfs/dbraw/zinc/58/40/72/607584072.db2.gz LRTFEHPBWSMHPW-LBPRGKRZSA-N -1 3 380.405 0.438 20 0 GCADHM Cn1cnnc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826365989 607584083 /nfs/dbraw/zinc/58/40/83/607584083.db2.gz NJOBMYWJIKCWEB-UHFFFAOYSA-N -1 3 388.335 0.493 20 0 GCADHM Cn1cnnc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826365989 607584084 /nfs/dbraw/zinc/58/40/84/607584084.db2.gz NJOBMYWJIKCWEB-UHFFFAOYSA-N -1 3 388.335 0.493 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000826197285 607586062 /nfs/dbraw/zinc/58/60/62/607586062.db2.gz INVLTSMZNNLSBL-UHFFFAOYSA-N -1 3 380.408 0.850 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000826197285 607586063 /nfs/dbraw/zinc/58/60/63/607586063.db2.gz INVLTSMZNNLSBL-UHFFFAOYSA-N -1 3 380.408 0.850 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)o2)cc1-c1nnn[n-]1 ZINC000826201591 607584953 /nfs/dbraw/zinc/58/49/53/607584953.db2.gz YMYOQWGGUWRRQT-UHFFFAOYSA-N -1 3 391.409 0.943 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)o2)cc1-c1nn[n-]n1 ZINC000826201591 607584954 /nfs/dbraw/zinc/58/49/54/607584954.db2.gz YMYOQWGGUWRRQT-UHFFFAOYSA-N -1 3 391.409 0.943 20 0 GCADHM CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000825879167 607585329 /nfs/dbraw/zinc/58/53/29/607585329.db2.gz IOOKHOXKDHJEGR-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccs1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826437463 607586679 /nfs/dbraw/zinc/58/66/79/607586679.db2.gz MVWAFLIFWYPPTO-UHFFFAOYSA-N -1 3 379.427 0.032 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccs1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826437463 607586680 /nfs/dbraw/zinc/58/66/80/607586680.db2.gz MVWAFLIFWYPPTO-UHFFFAOYSA-N -1 3 379.427 0.032 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCNS(=O)(=O)c1cccs1 ZINC000826423409 607586762 /nfs/dbraw/zinc/58/67/62/607586762.db2.gz NPMZPWFYMJZGMF-UHFFFAOYSA-N -1 3 392.466 0.565 20 0 GCADHM CCN(C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CCO1)c1cccnn1 ZINC000825417322 607587284 /nfs/dbraw/zinc/58/72/84/607587284.db2.gz PVWJORRWZYHICX-CQSZACIVSA-N -1 3 395.427 0.419 20 0 GCADHM CCN(C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CCO1)c1cccnn1 ZINC000825417322 607587286 /nfs/dbraw/zinc/58/72/86/607587286.db2.gz PVWJORRWZYHICX-CQSZACIVSA-N -1 3 395.427 0.419 20 0 GCADHM COc1ccc(CNC(=O)CS(=O)(=O)NC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826197527 607593122 /nfs/dbraw/zinc/59/31/22/607593122.db2.gz SJAHFDAHQDUVCC-UHFFFAOYSA-N -1 3 382.446 0.209 20 0 GCADHM COc1ccc(CNC(=O)CS(=O)(=O)NC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826197527 607593124 /nfs/dbraw/zinc/59/31/24/607593124.db2.gz SJAHFDAHQDUVCC-UHFFFAOYSA-N -1 3 382.446 0.209 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccccc1-c1nnn[n-]1)NC1CCCCC1 ZINC000826408239 607594877 /nfs/dbraw/zinc/59/48/77/607594877.db2.gz WTRWCPYIUJYQJB-UHFFFAOYSA-N -1 3 378.458 0.984 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccccc1-c1nn[n-]n1)NC1CCCCC1 ZINC000826408239 607594879 /nfs/dbraw/zinc/59/48/79/607594879.db2.gz WTRWCPYIUJYQJB-UHFFFAOYSA-N -1 3 378.458 0.984 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826483002 607598346 /nfs/dbraw/zinc/59/83/46/607598346.db2.gz XFNREOUCSMVWPK-LLVKDONJSA-N -1 3 395.420 0.184 20 0 GCADHM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826482348 607598363 /nfs/dbraw/zinc/59/83/63/607598363.db2.gz BMQRTYAUQIPDDN-NSHDSACASA-N -1 3 377.430 0.045 20 0 GCADHM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826482348 607598364 /nfs/dbraw/zinc/59/83/64/607598364.db2.gz BMQRTYAUQIPDDN-NSHDSACASA-N -1 3 377.430 0.045 20 0 GCADHM NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826389071 607599511 /nfs/dbraw/zinc/59/95/11/607599511.db2.gz PHLBRODQUGJJMI-ZDUSSCGKSA-N -1 3 390.400 0.381 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)c1-c1nnn[n-]1 ZINC000826302407 607599540 /nfs/dbraw/zinc/59/95/40/607599540.db2.gz ISOSGLRCKDTDNU-CYBMUJFWSA-N -1 3 386.437 0.550 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(N)=O)c1-c1nn[n-]n1 ZINC000826302407 607599541 /nfs/dbraw/zinc/59/95/41/607599541.db2.gz ISOSGLRCKDTDNU-CYBMUJFWSA-N -1 3 386.437 0.550 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccco2)c1-c1nnn[n-]1 ZINC000826301795 607601317 /nfs/dbraw/zinc/60/13/17/607601317.db2.gz PYYCVHWCXUJYRC-LLVKDONJSA-N -1 3 390.425 0.751 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccco2)c1-c1nn[n-]n1 ZINC000826301795 607601318 /nfs/dbraw/zinc/60/13/18/607601318.db2.gz PYYCVHWCXUJYRC-LLVKDONJSA-N -1 3 390.425 0.751 20 0 GCADHM CCOC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825517789 607601887 /nfs/dbraw/zinc/60/18/87/607601887.db2.gz MTGATVJHZPSMPG-UHFFFAOYSA-N -1 3 398.420 0.859 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)Nc1cccnc1 ZINC000826413115 607603804 /nfs/dbraw/zinc/60/38/04/607603804.db2.gz RQTYSNHMORULCN-UHFFFAOYSA-N -1 3 393.816 0.832 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)Nc1cccnc1 ZINC000826413115 607603807 /nfs/dbraw/zinc/60/38/07/607603807.db2.gz RQTYSNHMORULCN-UHFFFAOYSA-N -1 3 393.816 0.832 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC(C2OCCO2)CC1 ZINC000826495492 607604318 /nfs/dbraw/zinc/60/43/18/607604318.db2.gz QZUIFPSGKYAGMS-UHFFFAOYSA-N -1 3 383.405 0.779 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000826329192 607605527 /nfs/dbraw/zinc/60/55/27/607605527.db2.gz SVUXKRCQKKZSSE-SNVBAGLBSA-N -1 3 378.393 0.199 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824216633 607606159 /nfs/dbraw/zinc/60/61/59/607606159.db2.gz UEJUXRJHKALFCA-LBPRGKRZSA-N -1 3 384.849 0.665 20 0 GCADHM COCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826159701 607606514 /nfs/dbraw/zinc/60/65/14/607606514.db2.gz OYUABGMNTVZJCH-LBPRGKRZSA-N -1 3 384.437 0.395 20 0 GCADHM O=C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCN1 ZINC000826480441 607606867 /nfs/dbraw/zinc/60/68/67/607606867.db2.gz BLOXNNVYTYIRKD-UHFFFAOYSA-N -1 3 390.347 0.396 20 0 GCADHM C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824859576 607607970 /nfs/dbraw/zinc/60/79/70/607607970.db2.gz QQOYRVRCKHJXOO-ZETCQYMHSA-N -1 3 390.347 0.395 20 0 GCADHM COc1ccc(CNC(=O)CN(C)c2ncnc3nc[nH]c32)cc1-c1nn[n-]n1 ZINC000826196942 607608740 /nfs/dbraw/zinc/60/87/40/607608740.db2.gz SWWHJNNIHJZMDV-UHFFFAOYSA-N -1 3 394.399 0.294 20 0 GCADHM CCOC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825517974 607613073 /nfs/dbraw/zinc/61/30/73/607613073.db2.gz QYQSTEQYTWJNDI-UHFFFAOYSA-N -1 3 379.320 0.727 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)o1 ZINC000826393093 607615812 /nfs/dbraw/zinc/61/58/12/607615812.db2.gz BEEKWKSWWJVICX-LBPRGKRZSA-N -1 3 382.336 0.521 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)o1 ZINC000826393093 607615814 /nfs/dbraw/zinc/61/58/14/607615814.db2.gz BEEKWKSWWJVICX-LBPRGKRZSA-N -1 3 382.336 0.521 20 0 GCADHM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826489078 607615943 /nfs/dbraw/zinc/61/59/43/607615943.db2.gz HHUQEWVFLOLQLU-SECBINFHSA-N -1 3 380.821 0.405 20 0 GCADHM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826489078 607615945 /nfs/dbraw/zinc/61/59/45/607615945.db2.gz HHUQEWVFLOLQLU-SECBINFHSA-N -1 3 380.821 0.405 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)N1CCCC1 ZINC000824342234 607616006 /nfs/dbraw/zinc/61/60/06/607616006.db2.gz NSUACLFFUMBDGE-AWEZNQCLSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)N1CCCC1 ZINC000824342234 607616007 /nfs/dbraw/zinc/61/60/07/607616007.db2.gz NSUACLFFUMBDGE-AWEZNQCLSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000825838585 607616810 /nfs/dbraw/zinc/61/68/10/607616810.db2.gz AGRVLEXVKSOOIL-ZYHUDNBSSA-N -1 3 396.448 0.931 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000825838858 607616898 /nfs/dbraw/zinc/61/68/98/607616898.db2.gz DDAXDCKRDLULAV-VXGBXAGGSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000825838858 607616900 /nfs/dbraw/zinc/61/69/00/607616900.db2.gz DDAXDCKRDLULAV-VXGBXAGGSA-N -1 3 378.458 0.792 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)o1 ZINC000826393214 607617467 /nfs/dbraw/zinc/61/74/67/607617467.db2.gz HXXWWRUIUATNKZ-VIFPVBQESA-N -1 3 388.365 0.582 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)o1 ZINC000826393214 607617469 /nfs/dbraw/zinc/61/74/69/607617469.db2.gz HXXWWRUIUATNKZ-VIFPVBQESA-N -1 3 388.365 0.582 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826112237 607618272 /nfs/dbraw/zinc/61/82/72/607618272.db2.gz VQLHTIUICOGGRL-ZDUSSCGKSA-N -1 3 378.364 0.784 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826112237 607618273 /nfs/dbraw/zinc/61/82/73/607618273.db2.gz VQLHTIUICOGGRL-ZDUSSCGKSA-N -1 3 378.364 0.784 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCS1(=O)=O ZINC000824994888 607619517 /nfs/dbraw/zinc/61/95/17/607619517.db2.gz WNEJGHUCSPMKIG-QMMMGPOBSA-N -1 3 391.862 0.328 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCCS(=O)(=O)CC1 ZINC000826497157 607620818 /nfs/dbraw/zinc/62/08/18/607620818.db2.gz WGDDFDXSXZGZSC-UHFFFAOYSA-N -1 3 391.862 0.329 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826390362 607621859 /nfs/dbraw/zinc/62/18/59/607621859.db2.gz XQBFJYGCXARPAD-SCZZXKLOSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000826390362 607621861 /nfs/dbraw/zinc/62/18/61/607621861.db2.gz XQBFJYGCXARPAD-SCZZXKLOSA-N -1 3 384.849 0.843 20 0 GCADHM COc1ccc(CNC(=O)NCCCN2CCOCC2)cc1-c1nnn[n-]1 ZINC000826199543 607622344 /nfs/dbraw/zinc/62/23/44/607622344.db2.gz COXRWIDFHIPBNL-UHFFFAOYSA-N -1 3 375.433 0.397 20 0 GCADHM COc1ccc(CNC(=O)NCCCN2CCOCC2)cc1-c1nn[n-]n1 ZINC000826199543 607622346 /nfs/dbraw/zinc/62/23/46/607622346.db2.gz COXRWIDFHIPBNL-UHFFFAOYSA-N -1 3 375.433 0.397 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)NCC1(CO)COC1 ZINC000826439442 607623020 /nfs/dbraw/zinc/62/30/20/607623020.db2.gz VKUNKWLHDPLWAX-UHFFFAOYSA-N -1 3 378.458 0.408 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)NCC1(CO)COC1 ZINC000826439442 607623021 /nfs/dbraw/zinc/62/30/21/607623021.db2.gz VKUNKWLHDPLWAX-UHFFFAOYSA-N -1 3 378.458 0.408 20 0 GCADHM COc1ccc(CNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1-c1nnn[n-]1 ZINC000826198377 607624914 /nfs/dbraw/zinc/62/49/14/607624914.db2.gz WOBKXXUHSZEOIP-UONOGXRCSA-N -1 3 385.428 0.828 20 0 GCADHM COc1ccc(CNC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000826198377 607624916 /nfs/dbraw/zinc/62/49/16/607624916.db2.gz WOBKXXUHSZEOIP-UONOGXRCSA-N -1 3 385.428 0.828 20 0 GCADHM COc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826189475 607626117 /nfs/dbraw/zinc/62/61/17/607626117.db2.gz WOSRGDXZVRHPHA-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc([C@@H](O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826189475 607626118 /nfs/dbraw/zinc/62/61/18/607626118.db2.gz WOSRGDXZVRHPHA-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826219078 607626503 /nfs/dbraw/zinc/62/65/03/607626503.db2.gz SIMFLRZWABKXNS-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826219078 607626505 /nfs/dbraw/zinc/62/65/05/607626505.db2.gz SIMFLRZWABKXNS-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@H](O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826219027 607626597 /nfs/dbraw/zinc/62/65/97/607626597.db2.gz QVACZRNCIDIZEA-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@H](O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826219027 607626599 /nfs/dbraw/zinc/62/65/99/607626599.db2.gz QVACZRNCIDIZEA-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826489064 607627294 /nfs/dbraw/zinc/62/72/94/607627294.db2.gz GXZMODWHUZHYQQ-GFCCVEGCSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826488961 607627398 /nfs/dbraw/zinc/62/73/98/607627398.db2.gz DMYJUQFFGOEVNU-CYBMUJFWSA-N -1 3 375.410 0.585 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826488961 607627399 /nfs/dbraw/zinc/62/73/99/607627399.db2.gz DMYJUQFFGOEVNU-CYBMUJFWSA-N -1 3 375.410 0.585 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1-c1nnn[n-]1 ZINC000826195795 607627765 /nfs/dbraw/zinc/62/77/65/607627765.db2.gz FXCHJZNJKSRBHD-LLVKDONJSA-N -1 3 382.384 0.268 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)cc1-c1nn[n-]n1 ZINC000826195795 607627767 /nfs/dbraw/zinc/62/77/67/607627767.db2.gz FXCHJZNJKSRBHD-LLVKDONJSA-N -1 3 382.384 0.268 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(-n3ccnc3)nn2)cc1-c1nnn[n-]1 ZINC000826200679 607628129 /nfs/dbraw/zinc/62/81/29/607628129.db2.gz CQFAQHBTJWWIEH-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(-n3ccnc3)nn2)cc1-c1nn[n-]n1 ZINC000826200679 607628130 /nfs/dbraw/zinc/62/81/30/607628130.db2.gz CQFAQHBTJWWIEH-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM C[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000824679431 607628924 /nfs/dbraw/zinc/62/89/24/607628924.db2.gz RZJPMIBXBMWPIO-YPMHNXCESA-N -1 3 382.428 0.868 20 0 GCADHM C[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000824679431 607628925 /nfs/dbraw/zinc/62/89/25/607628925.db2.gz RZJPMIBXBMWPIO-YPMHNXCESA-N -1 3 382.428 0.868 20 0 GCADHM COc1cccc([C@@H](O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826215067 607630822 /nfs/dbraw/zinc/63/08/22/607630822.db2.gz FWWLSZDGYNQMFC-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@@H](O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826215067 607630823 /nfs/dbraw/zinc/63/08/23/607630823.db2.gz FWWLSZDGYNQMFC-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000826112410 607632380 /nfs/dbraw/zinc/63/23/80/607632380.db2.gz ZVOHGNASTUNTRC-CYBMUJFWSA-N -1 3 381.339 0.531 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000826112410 607632382 /nfs/dbraw/zinc/63/23/82/607632382.db2.gz ZVOHGNASTUNTRC-CYBMUJFWSA-N -1 3 381.339 0.531 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC000826143487 607632602 /nfs/dbraw/zinc/63/26/02/607632602.db2.gz BMZFFJVBIDVTTQ-UHFFFAOYSA-N -1 3 378.364 0.256 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000826143487 607632603 /nfs/dbraw/zinc/63/26/03/607632603.db2.gz BMZFFJVBIDVTTQ-UHFFFAOYSA-N -1 3 378.364 0.256 20 0 GCADHM O=S(=O)(NCC1(O)Cc2ccccc2C1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000238976803 607638928 /nfs/dbraw/zinc/63/89/28/607638928.db2.gz ZWPUPMUAIXCYRJ-UHFFFAOYSA-N -1 3 389.412 0.814 20 0 GCADHM O=S(=O)(NCC1(O)Cc2ccccc2C1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000238976803 607638931 /nfs/dbraw/zinc/63/89/31/607638931.db2.gz ZWPUPMUAIXCYRJ-UHFFFAOYSA-N -1 3 389.412 0.814 20 0 GCADHM C[C@@H](CCO)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824407248 607639523 /nfs/dbraw/zinc/63/95/23/607639523.db2.gz WAQWUMQFGOUYEH-ZETCQYMHSA-N -1 3 376.236 0.678 20 0 GCADHM C[C@@H](CCO)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824407248 607639525 /nfs/dbraw/zinc/63/95/25/607639525.db2.gz WAQWUMQFGOUYEH-ZETCQYMHSA-N -1 3 376.236 0.678 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000826103808 607642545 /nfs/dbraw/zinc/64/25/45/607642545.db2.gz LHWYGYWYUAZPBX-GFCCVEGCSA-N -1 3 394.432 0.913 20 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ZINC000825581924 607643722 /nfs/dbraw/zinc/64/37/22/607643722.db2.gz GDXZGQIWGXSBOU-LSDHHAIUSA-N -1 3 393.469 0.807 20 0 GCADHM O=S(=O)(NCCCOC1CCOCC1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826491076 607646333 /nfs/dbraw/zinc/64/63/33/607646333.db2.gz SNZBRBGZGPPEJT-UHFFFAOYSA-N -1 3 385.421 0.870 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@H]1C ZINC000824706060 607648013 /nfs/dbraw/zinc/64/80/13/607648013.db2.gz GHJFYJUDMPIXJW-MNOVXSKESA-N -1 3 384.437 0.081 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@H]1C ZINC000824706060 607648014 /nfs/dbraw/zinc/64/80/14/607648014.db2.gz GHJFYJUDMPIXJW-MNOVXSKESA-N -1 3 384.437 0.081 20 0 GCADHM COCCOC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826161268 607648818 /nfs/dbraw/zinc/64/88/18/607648818.db2.gz ZTLICURVQVZDQE-VIFPVBQESA-N -1 3 375.838 0.850 20 0 GCADHM COCCOC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826161268 607648820 /nfs/dbraw/zinc/64/88/20/607648820.db2.gz ZTLICURVQVZDQE-VIFPVBQESA-N -1 3 375.838 0.850 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000824707293 607648899 /nfs/dbraw/zinc/64/88/99/607648899.db2.gz PCNRXPWCBAMPPV-STQMWFEESA-N -1 3 380.474 0.083 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000824707293 607648900 /nfs/dbraw/zinc/64/89/00/607648900.db2.gz PCNRXPWCBAMPPV-STQMWFEESA-N -1 3 380.474 0.083 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000826279519 607648971 /nfs/dbraw/zinc/64/89/71/607648971.db2.gz SMOZAWFJDQDDGG-CHWSQXEVSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000826279519 607648974 /nfs/dbraw/zinc/64/89/74/607648974.db2.gz SMOZAWFJDQDDGG-CHWSQXEVSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000826279522 607649194 /nfs/dbraw/zinc/64/91/94/607649194.db2.gz SMOZAWFJDQDDGG-STQMWFEESA-N -1 3 380.474 0.251 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000826279522 607649196 /nfs/dbraw/zinc/64/91/96/607649196.db2.gz SMOZAWFJDQDDGG-STQMWFEESA-N -1 3 380.474 0.251 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1=O ZINC000824900369 607653467 /nfs/dbraw/zinc/65/34/67/607653467.db2.gz VAAHZJLIGBTCHJ-UBHAPETDSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1=O ZINC000824900369 607653468 /nfs/dbraw/zinc/65/34/68/607653468.db2.gz VAAHZJLIGBTCHJ-UBHAPETDSA-N -1 3 396.860 0.808 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826493983 607653540 /nfs/dbraw/zinc/65/35/40/607653540.db2.gz LCINWZAPQRXJIX-LLVKDONJSA-N -1 3 399.301 0.833 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826493983 607653541 /nfs/dbraw/zinc/65/35/41/607653541.db2.gz LCINWZAPQRXJIX-LLVKDONJSA-N -1 3 399.301 0.833 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCN1C[C@H](C)O ZINC000825211990 607650283 /nfs/dbraw/zinc/65/02/83/607650283.db2.gz PMCBWWJBFUZBNU-GXTWGEPZSA-N -1 3 380.474 0.332 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCN1C[C@H](C)O ZINC000825211990 607650284 /nfs/dbraw/zinc/65/02/84/607650284.db2.gz PMCBWWJBFUZBNU-GXTWGEPZSA-N -1 3 380.474 0.332 20 0 GCADHM CC[C@H](CO)N1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825119293 607654193 /nfs/dbraw/zinc/65/41/93/607654193.db2.gz BXUFDWZHOOQLRY-OAHLLOKOSA-N -1 3 380.474 0.085 20 0 GCADHM CC[C@H](CO)N1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825119293 607654194 /nfs/dbraw/zinc/65/41/94/607654194.db2.gz BXUFDWZHOOQLRY-OAHLLOKOSA-N -1 3 380.474 0.085 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCN1C[C@@H](C)O ZINC000825209753 607652136 /nfs/dbraw/zinc/65/21/36/607652136.db2.gz BWCGIZKFXKDIDH-CZUORRHYSA-N -1 3 394.501 0.474 20 0 GCADHM CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000825120750 607654561 /nfs/dbraw/zinc/65/45/61/607654561.db2.gz MMKXDTOKUWCNSD-CYBMUJFWSA-N -1 3 380.474 0.252 20 0 GCADHM CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000825120750 607654564 /nfs/dbraw/zinc/65/45/64/607654564.db2.gz MMKXDTOKUWCNSD-CYBMUJFWSA-N -1 3 380.474 0.252 20 0 GCADHM O=S(=O)(NC[C@]1(O)CCSC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826490307 607661587 /nfs/dbraw/zinc/66/15/87/607661587.db2.gz QDMYOMXXBCPSEQ-GFCCVEGCSA-N -1 3 375.863 0.666 20 0 GCADHM O=S(=O)(NC[C@]1(O)CCSC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826490307 607661588 /nfs/dbraw/zinc/66/15/88/607661588.db2.gz QDMYOMXXBCPSEQ-GFCCVEGCSA-N -1 3 375.863 0.666 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000826248913 607665721 /nfs/dbraw/zinc/66/57/21/607665721.db2.gz BUUCDXVRSNQBKS-UHFFFAOYSA-N -1 3 393.407 0.320 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000826248913 607665723 /nfs/dbraw/zinc/66/57/23/607665723.db2.gz BUUCDXVRSNQBKS-UHFFFAOYSA-N -1 3 393.407 0.320 20 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ZINC000825471524 607672094 /nfs/dbraw/zinc/67/20/94/607672094.db2.gz VVWXNQSVIMHXCR-JTQLQIEISA-N -1 3 383.409 0.088 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1nnc2n1CCCC2 ZINC000824640740 607673514 /nfs/dbraw/zinc/67/35/14/607673514.db2.gz NUIRVTOYWUTNMH-VIFPVBQESA-N -1 3 392.420 0.973 20 0 GCADHM O=C(C1CCCC1)N1CC[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826399532 607674298 /nfs/dbraw/zinc/67/42/98/607674298.db2.gz YHPQQRADXZUPFB-CYBMUJFWSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(C1CCCC1)N1CC[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826399532 607674300 /nfs/dbraw/zinc/67/43/00/607674300.db2.gz YHPQQRADXZUPFB-CYBMUJFWSA-N -1 3 390.469 0.936 20 0 GCADHM COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826103677 607674380 /nfs/dbraw/zinc/67/43/80/607674380.db2.gz KKQHSJIDWOAZLB-ZETCQYMHSA-N -1 3 393.347 0.973 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)C1=O ZINC000824297806 607675055 /nfs/dbraw/zinc/67/50/55/607675055.db2.gz ZZVFUPZGZCHBQM-GOSISDBHSA-N -1 3 382.428 0.660 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)C1=O ZINC000824297806 607675056 /nfs/dbraw/zinc/67/50/56/607675056.db2.gz ZZVFUPZGZCHBQM-GOSISDBHSA-N -1 3 382.428 0.660 20 0 GCADHM O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826490114 607675717 /nfs/dbraw/zinc/67/57/17/607675717.db2.gz KADPVGCWJJTVIL-SECBINFHSA-N -1 3 391.862 0.376 20 0 GCADHM O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826490114 607675719 /nfs/dbraw/zinc/67/57/19/607675719.db2.gz KADPVGCWJJTVIL-SECBINFHSA-N -1 3 391.862 0.376 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000830935222 604318459 /nfs/dbraw/zinc/31/84/59/604318459.db2.gz SPPWHYXJVSRHOT-INIZCTEOSA-N -1 3 390.440 0.920 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000830934513 604322139 /nfs/dbraw/zinc/32/21/39/604322139.db2.gz GZRWZKFNRPLBAP-MRXNPFEDSA-N -1 3 390.440 0.920 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000830935249 604372269 /nfs/dbraw/zinc/37/22/69/604372269.db2.gz TYLVMACVDKXUQJ-FUHWJXTLSA-N -1 3 391.468 0.363 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)NCc1ccccc1 ZINC000826411457 607688833 /nfs/dbraw/zinc/68/88/33/607688833.db2.gz ZCMVCIJRXQQZAY-UHFFFAOYSA-N -1 3 394.439 0.269 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)NCc1ccccc1 ZINC000826411457 607688834 /nfs/dbraw/zinc/68/88/34/607688834.db2.gz ZCMVCIJRXQQZAY-UHFFFAOYSA-N -1 3 394.439 0.269 20 0 GCADHM O=C1NCCCN1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826482361 607690224 /nfs/dbraw/zinc/69/02/24/607690224.db2.gz BTENXIOXUILWCK-UHFFFAOYSA-N -1 3 391.457 0.435 20 0 GCADHM O=C1NCCCN1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826482361 607690226 /nfs/dbraw/zinc/69/02/26/607690226.db2.gz BTENXIOXUILWCK-UHFFFAOYSA-N -1 3 391.457 0.435 20 0 GCADHM O=C1NCCCN1C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000826482980 607690271 /nfs/dbraw/zinc/69/02/71/607690271.db2.gz WTTTXEBAWAYXHD-UHFFFAOYSA-N -1 3 391.457 0.435 20 0 GCADHM O=C1NCCCN1C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000826482980 607690272 /nfs/dbraw/zinc/69/02/72/607690272.db2.gz WTTTXEBAWAYXHD-UHFFFAOYSA-N -1 3 391.457 0.435 20 0 GCADHM CN(C1CCOCC1)S(=O)(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825887454 607690655 /nfs/dbraw/zinc/69/06/55/607690655.db2.gz GRQYQASYLJIPPC-UHFFFAOYSA-N -1 3 378.458 0.801 20 0 GCADHM CN(C1CCOCC1)S(=O)(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825887454 607690657 /nfs/dbraw/zinc/69/06/57/607690657.db2.gz GRQYQASYLJIPPC-UHFFFAOYSA-N -1 3 378.458 0.801 20 0 GCADHM O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826436803 607690774 /nfs/dbraw/zinc/69/07/74/607690774.db2.gz JOYSLBVZKYYMHC-UHFFFAOYSA-N -1 3 386.416 0.569 20 0 GCADHM O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826436803 607690775 /nfs/dbraw/zinc/69/07/75/607690775.db2.gz JOYSLBVZKYYMHC-UHFFFAOYSA-N -1 3 386.416 0.569 20 0 GCADHM CCc1[nH]c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)c1C(=O)[O-] ZINC000830184013 604410005 /nfs/dbraw/zinc/41/00/05/604410005.db2.gz QFRKTUOJQZRHHI-AWEZNQCLSA-N -1 3 376.457 0.962 20 0 GCADHM CC(C)CN(CC(F)(F)F)C(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000826871301 604436413 /nfs/dbraw/zinc/43/64/13/604436413.db2.gz SDSRKJITQLASBQ-UHFFFAOYSA-N -1 3 388.408 0.655 20 0 GCADHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000832040957 604467838 /nfs/dbraw/zinc/46/78/38/604467838.db2.gz MLHIMGIMQIBXBF-IAQYHMDHSA-N -1 3 387.458 0.335 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CC1 ZINC000830935137 604502931 /nfs/dbraw/zinc/50/29/31/604502931.db2.gz QIURYZWDIAFXSQ-IZCBMXNHSA-N -1 3 396.513 0.116 20 0 GCADHM COc1ccccc1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000826217968 607696815 /nfs/dbraw/zinc/69/68/15/607696815.db2.gz JXRZWJSJGRYNBY-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM COc1ccccc1C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826217968 607696816 /nfs/dbraw/zinc/69/68/16/607696816.db2.gz JXRZWJSJGRYNBY-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)CCO2)n1 ZINC000826324412 607699447 /nfs/dbraw/zinc/69/94/47/607699447.db2.gz PTFLJONDRZORNH-HNNXBMFYSA-N -1 3 382.428 0.925 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)CCO2)n1 ZINC000826324412 607699449 /nfs/dbraw/zinc/69/94/49/607699449.db2.gz PTFLJONDRZORNH-HNNXBMFYSA-N -1 3 382.428 0.925 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000824516038 607702232 /nfs/dbraw/zinc/70/22/32/607702232.db2.gz VJUWVDAOSHVFAR-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000824516038 607702234 /nfs/dbraw/zinc/70/22/34/607702234.db2.gz VJUWVDAOSHVFAR-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000826471857 607708115 /nfs/dbraw/zinc/70/81/15/607708115.db2.gz PAODXNFYPDLBDO-UHFFFAOYSA-N -1 3 387.366 0.922 20 0 GCADHM O=C(NCc1ccccc1OCCN1CCOCC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826443187 607709459 /nfs/dbraw/zinc/70/94/59/607709459.db2.gz DUKGYHNWENTCPZ-UHFFFAOYSA-N -1 3 397.439 0.836 20 0 GCADHM O=C(NCc1ccccc1OCCN1CCOCC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826443187 607709461 /nfs/dbraw/zinc/70/94/61/607709461.db2.gz DUKGYHNWENTCPZ-UHFFFAOYSA-N -1 3 397.439 0.836 20 0 GCADHM COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN1CCO[C@H](CN(C)C)C1 ZINC000831230815 604757226 /nfs/dbraw/zinc/75/72/26/604757226.db2.gz NMANWFRDJAIXMB-LLVKDONJSA-N -1 3 399.469 0.742 20 0 GCADHM COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@@H](C)N2CCO[C@@H](CN(C)C)C2)c1 ZINC000831363122 604759822 /nfs/dbraw/zinc/75/98/22/604759822.db2.gz ATMOMOYLKQNVNS-OCCSQVGLSA-N -1 3 393.440 0.761 20 0 GCADHM O=C(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(c2ccccn2)CC1 ZINC000826435114 607715456 /nfs/dbraw/zinc/71/54/56/607715456.db2.gz GXEQJTVUITYOGT-UHFFFAOYSA-N -1 3 395.427 0.059 20 0 GCADHM O=C(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(c2ccccn2)CC1 ZINC000826435114 607715458 /nfs/dbraw/zinc/71/54/58/607715458.db2.gz GXEQJTVUITYOGT-UHFFFAOYSA-N -1 3 395.427 0.059 20 0 GCADHM O=C([O-])COc1ccc(NC(=O)C(=O)NC2CCN(CCO)CC2)cc1Cl ZINC000833254674 604827408 /nfs/dbraw/zinc/82/74/08/604827408.db2.gz SUKXJUZLMWNDBT-UHFFFAOYSA-N -1 3 399.831 0.315 20 0 GCADHM CC(=O)N1CCN(c2ccccc2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000823980284 607720063 /nfs/dbraw/zinc/72/00/63/607720063.db2.gz AMCVPZBLNPWQPG-UHFFFAOYSA-N -1 3 394.439 0.793 20 0 GCADHM CC(=O)N1CCN(c2ccccc2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000823980284 607720065 /nfs/dbraw/zinc/72/00/65/607720065.db2.gz AMCVPZBLNPWQPG-UHFFFAOYSA-N -1 3 394.439 0.793 20 0 GCADHM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826090966 607722645 /nfs/dbraw/zinc/72/26/45/607722645.db2.gz SKWDNTWKKAOKIA-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826090966 607722647 /nfs/dbraw/zinc/72/26/47/607722647.db2.gz SKWDNTWKKAOKIA-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM COC[C@@](C)(CC(=O)[O-])NCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC ZINC000833722404 604954073 /nfs/dbraw/zinc/95/40/73/604954073.db2.gz UHZRBWIETZWLIS-DNVCBOLYSA-N -1 3 378.425 0.582 20 0 GCADHM CCOC(=O)NCCCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825523647 607727346 /nfs/dbraw/zinc/72/73/46/607727346.db2.gz RSSLKIVWOCEJRG-ZDUSSCGKSA-N -1 3 376.373 0.463 20 0 GCADHM CCOC(=O)NCCCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825523647 607727348 /nfs/dbraw/zinc/72/73/48/607727348.db2.gz RSSLKIVWOCEJRG-ZDUSSCGKSA-N -1 3 376.373 0.463 20 0 GCADHM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1 ZINC000833714931 605017507 /nfs/dbraw/zinc/01/75/07/605017507.db2.gz LMCGZUGXCSJFHU-LLVKDONJSA-N -1 3 382.438 0.934 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CC2 ZINC000825875135 607739620 /nfs/dbraw/zinc/73/96/20/607739620.db2.gz AGFBCTCWBWWFKO-UHFFFAOYSA-N -1 3 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C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCO[C@@H](CO)C1 ZINC000819877238 606116635 /nfs/dbraw/zinc/11/66/35/606116635.db2.gz RRZGIVBTFFLCKS-NXEZZACHSA-N -1 3 378.458 0.437 20 0 GCADHM C[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321545 606117116 /nfs/dbraw/zinc/11/71/16/606117116.db2.gz IDKINAHFFCXQBK-MGPLVRAMSA-N -1 3 399.436 0.774 20 0 GCADHM C[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321545 606117118 /nfs/dbraw/zinc/11/71/18/606117118.db2.gz IDKINAHFFCXQBK-MGPLVRAMSA-N -1 3 399.436 0.774 20 0 GCADHM CC(C)n1nccc1NC(=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820218796 606118245 /nfs/dbraw/zinc/11/82/45/606118245.db2.gz ANKYQNDFNPZETE-UHFFFAOYSA-N -1 3 384.404 0.206 20 0 GCADHM CC(C)n1nccc1NC(=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820218796 606118246 /nfs/dbraw/zinc/11/82/46/606118246.db2.gz ANKYQNDFNPZETE-UHFFFAOYSA-N -1 3 384.404 0.206 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC000821755991 606119117 /nfs/dbraw/zinc/11/91/17/606119117.db2.gz LFNOTJQIGCYKHV-UHFFFAOYSA-N -1 3 385.428 0.368 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000822216341 606119316 /nfs/dbraw/zinc/11/93/16/606119316.db2.gz MEHHMKXLKWYNNW-UHFFFAOYSA-N -1 3 395.427 0.196 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000822216341 606119318 /nfs/dbraw/zinc/11/93/18/606119318.db2.gz MEHHMKXLKWYNNW-UHFFFAOYSA-N -1 3 395.427 0.196 20 0 GCADHM Cc1csc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000822414820 606119440 /nfs/dbraw/zinc/11/94/40/606119440.db2.gz WATKGVPZNAIJEW-UHFFFAOYSA-N -1 3 399.440 0.314 20 0 GCADHM Cc1csc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000822414820 606119442 /nfs/dbraw/zinc/11/94/42/606119442.db2.gz WATKGVPZNAIJEW-UHFFFAOYSA-N -1 3 399.440 0.314 20 0 GCADHM Cc1nc(C)n([C@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000822431764 606119571 /nfs/dbraw/zinc/11/95/71/606119571.db2.gz IOTUQEUNJIALFD-HNNXBMFYSA-N -1 3 395.427 0.877 20 0 GCADHM Cc1nc(C)n([C@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000822431764 606119576 /nfs/dbraw/zinc/11/95/76/606119576.db2.gz IOTUQEUNJIALFD-HNNXBMFYSA-N -1 3 395.427 0.877 20 0 GCADHM Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000822674000 606120541 /nfs/dbraw/zinc/12/05/41/606120541.db2.gz JGHDAALZGDVZOL-LBPRGKRZSA-N -1 3 380.412 0.630 20 0 GCADHM Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822674000 606120542 /nfs/dbraw/zinc/12/05/42/606120542.db2.gz JGHDAALZGDVZOL-LBPRGKRZSA-N -1 3 380.412 0.630 20 0 GCADHM Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2)cn1 ZINC000822674243 606120763 /nfs/dbraw/zinc/12/07/63/606120763.db2.gz ONLCSHPGCIJEGK-NSHDSACASA-N -1 3 398.402 0.769 20 0 GCADHM Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2)cn1 ZINC000822674243 606120764 /nfs/dbraw/zinc/12/07/64/606120764.db2.gz ONLCSHPGCIJEGK-NSHDSACASA-N -1 3 398.402 0.769 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000822865122 606120844 /nfs/dbraw/zinc/12/08/44/606120844.db2.gz VWHMHHAQOCPVNR-SECBINFHSA-N -1 3 375.364 0.058 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000822865122 606120845 /nfs/dbraw/zinc/12/08/45/606120845.db2.gz VWHMHHAQOCPVNR-SECBINFHSA-N -1 3 375.364 0.058 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000819789581 606121343 /nfs/dbraw/zinc/12/13/43/606121343.db2.gz UZQRRABOTNCTFZ-SFHVURJKSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000819789581 606121344 /nfs/dbraw/zinc/12/13/44/606121344.db2.gz UZQRRABOTNCTFZ-SFHVURJKSA-N -1 3 384.444 0.169 20 0 GCADHM CN(C)CCN(C(=O)c1sccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000821584680 606127834 /nfs/dbraw/zinc/12/78/34/606127834.db2.gz OBPYTWCPBWIJGH-JTQLQIEISA-N -1 3 384.487 0.119 20 0 GCADHM CN(C)CCN(C(=O)c1sccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000821584680 606127835 /nfs/dbraw/zinc/12/78/35/606127835.db2.gz OBPYTWCPBWIJGH-JTQLQIEISA-N -1 3 384.487 0.119 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820353411 606129573 /nfs/dbraw/zinc/12/95/73/606129573.db2.gz ZSKFUUBRUBYAQA-LBPRGKRZSA-N -1 3 395.427 0.720 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820353411 606129574 /nfs/dbraw/zinc/12/95/74/606129574.db2.gz ZSKFUUBRUBYAQA-LBPRGKRZSA-N -1 3 395.427 0.720 20 0 GCADHM C[C@@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820636047 606130764 /nfs/dbraw/zinc/13/07/64/606130764.db2.gz PDPMIDYHCUGPDU-XIKOKIGWSA-N -1 3 398.379 0.667 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820295103 606130912 /nfs/dbraw/zinc/13/09/12/606130912.db2.gz YCBSZALPXVLIPH-ZJUUUORDSA-N -1 3 381.414 0.418 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820295103 606130913 /nfs/dbraw/zinc/13/09/13/606130913.db2.gz YCBSZALPXVLIPH-ZJUUUORDSA-N -1 3 381.414 0.418 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822880691 606140863 /nfs/dbraw/zinc/14/08/63/606140863.db2.gz YRNXAVACNZZDOY-UHFFFAOYSA-N -1 3 380.324 0.701 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822880691 606140864 /nfs/dbraw/zinc/14/08/64/606140864.db2.gz YRNXAVACNZZDOY-UHFFFAOYSA-N -1 3 380.324 0.701 20 0 GCADHM O=C(COC(=O)Cc1cccc(-c2nnn[n-]2)c1)NC(=O)NCC(F)(F)F ZINC000823018075 606142909 /nfs/dbraw/zinc/14/29/09/606142909.db2.gz HIHLHMJDJPOUPU-UHFFFAOYSA-N -1 3 386.290 0.341 20 0 GCADHM O=C(COC(=O)Cc1cccc(-c2nn[n-]n2)c1)NC(=O)NCC(F)(F)F ZINC000823018075 606142911 /nfs/dbraw/zinc/14/29/11/606142911.db2.gz HIHLHMJDJPOUPU-UHFFFAOYSA-N -1 3 386.290 0.341 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000819928651 606144284 /nfs/dbraw/zinc/14/42/84/606144284.db2.gz TUXBDGDRTMKKRK-ZDUSSCGKSA-N -1 3 395.441 0.598 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000819928651 606144286 /nfs/dbraw/zinc/14/42/86/606144286.db2.gz TUXBDGDRTMKKRK-ZDUSSCGKSA-N -1 3 395.441 0.598 20 0 GCADHM COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000821657115 606144837 /nfs/dbraw/zinc/14/48/37/606144837.db2.gz ICDWSOLSURDCOE-GFCCVEGCSA-N -1 3 394.457 0.125 20 0 GCADHM COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000821657115 606144839 /nfs/dbraw/zinc/14/48/39/606144839.db2.gz ICDWSOLSURDCOE-GFCCVEGCSA-N -1 3 394.457 0.125 20 0 GCADHM Nc1ncnc2c1ncn2CCCOC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822907466 606145179 /nfs/dbraw/zinc/14/51/79/606145179.db2.gz NSWINLVLJHMYGR-UHFFFAOYSA-N -1 3 379.384 0.765 20 0 GCADHM Nc1ncnc2c1ncn2CCCOC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822907466 606145180 /nfs/dbraw/zinc/14/51/80/606145180.db2.gz NSWINLVLJHMYGR-UHFFFAOYSA-N -1 3 379.384 0.765 20 0 GCADHM Cn1ncc2cc(C(=O)N3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)cnc21 ZINC000822708766 606148644 /nfs/dbraw/zinc/14/86/44/606148644.db2.gz BUZDQHMTSDVDBB-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM Cn1ncc2cc(C(=O)N3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)cnc21 ZINC000822708766 606148646 /nfs/dbraw/zinc/14/86/46/606148646.db2.gz BUZDQHMTSDVDBB-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821636269 606151753 /nfs/dbraw/zinc/15/17/53/606151753.db2.gz MAEFEBIBDUNBII-NSHDSACASA-N -1 3 395.445 0.421 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821636269 606151755 /nfs/dbraw/zinc/15/17/55/606151755.db2.gz MAEFEBIBDUNBII-NSHDSACASA-N -1 3 395.445 0.421 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820767600 606153156 /nfs/dbraw/zinc/15/31/56/606153156.db2.gz IWVVZHGPYYSUAV-RNCFNFMXSA-N -1 3 397.436 0.797 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820767600 606153158 /nfs/dbraw/zinc/15/31/58/606153158.db2.gz IWVVZHGPYYSUAV-RNCFNFMXSA-N -1 3 397.436 0.797 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@]2(O)CCSC2)cc1 ZINC000822903212 606154006 /nfs/dbraw/zinc/15/40/06/606154006.db2.gz IBRYLLKKPYHIDD-INIZCTEOSA-N -1 3 386.441 0.232 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@]2(O)CCSC2)cc1 ZINC000822903212 606154008 /nfs/dbraw/zinc/15/40/08/606154008.db2.gz IBRYLLKKPYHIDD-INIZCTEOSA-N -1 3 386.441 0.232 20 0 GCADHM CN(C)c1nc(CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cs1 ZINC000821590884 606156842 /nfs/dbraw/zinc/15/68/42/606156842.db2.gz KJQCPCJCXPCQLQ-UHFFFAOYSA-N -1 3 388.461 0.696 20 0 GCADHM CN(C)c1nc(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cs1 ZINC000821590884 606156844 /nfs/dbraw/zinc/15/68/44/606156844.db2.gz KJQCPCJCXPCQLQ-UHFFFAOYSA-N -1 3 388.461 0.696 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000820146856 606159053 /nfs/dbraw/zinc/15/90/53/606159053.db2.gz SLWFJEJFNZSLAN-UHFFFAOYSA-N -1 3 394.501 0.739 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000820146856 606159055 /nfs/dbraw/zinc/15/90/55/606159055.db2.gz SLWFJEJFNZSLAN-UHFFFAOYSA-N -1 3 394.501 0.739 20 0 GCADHM O=C1[C@H](N2CCN(c3ccccc3-c3nnn[n-]3)CC2)CCN1C1CCOCC1 ZINC000823503879 606161088 /nfs/dbraw/zinc/16/10/88/606161088.db2.gz JVPMCNQLENIJGW-GOSISDBHSA-N -1 3 397.483 0.769 20 0 GCADHM O=C1[C@H](N2CCN(c3ccccc3-c3nn[n-]n3)CC2)CCN1C1CCOCC1 ZINC000823503879 606161089 /nfs/dbraw/zinc/16/10/89/606161089.db2.gz JVPMCNQLENIJGW-GOSISDBHSA-N -1 3 397.483 0.769 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cn1 ZINC000821578085 606161316 /nfs/dbraw/zinc/16/13/16/606161316.db2.gz NDUYGORHZRTHFT-UHFFFAOYSA-N -1 3 387.379 0.612 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cn1 ZINC000821578085 606161317 /nfs/dbraw/zinc/16/13/17/606161317.db2.gz NDUYGORHZRTHFT-UHFFFAOYSA-N -1 3 387.379 0.612 20 0 GCADHM C[C@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380658 606161327 /nfs/dbraw/zinc/16/13/27/606161327.db2.gz XYKGZSDVFBRKAF-JTQLQIEISA-N -1 3 384.404 0.429 20 0 GCADHM C[C@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380658 606161328 /nfs/dbraw/zinc/16/13/28/606161328.db2.gz XYKGZSDVFBRKAF-JTQLQIEISA-N -1 3 384.404 0.429 20 0 GCADHM CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ncn1 ZINC000821637808 606161582 /nfs/dbraw/zinc/16/15/82/606161582.db2.gz UXLXPCVXOGEXGK-SNVBAGLBSA-N -1 3 398.435 0.222 20 0 GCADHM CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ncn1 ZINC000821637808 606161584 /nfs/dbraw/zinc/16/15/84/606161584.db2.gz UXLXPCVXOGEXGK-SNVBAGLBSA-N -1 3 398.435 0.222 20 0 GCADHM Cc1nccn1-c1ccc(CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)cn1 ZINC000822477981 606164512 /nfs/dbraw/zinc/16/45/12/606164512.db2.gz OILVPOQHHHTGKG-UHFFFAOYSA-N -1 3 379.388 0.811 20 0 GCADHM Cc1nccn1-c1ccc(CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)cn1 ZINC000822477981 606164513 /nfs/dbraw/zinc/16/45/13/606164513.db2.gz OILVPOQHHHTGKG-UHFFFAOYSA-N -1 3 379.388 0.811 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCCC[C@@H]2CN2CCOCC2)n1 ZINC000822608203 606165962 /nfs/dbraw/zinc/16/59/62/606165962.db2.gz AOFCGCSBOSMGHF-GFCCVEGCSA-N -1 3 375.437 0.319 20 0 GCADHM Cc1cc(N2CCC(NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)nc(C)n1 ZINC000822206089 606168788 /nfs/dbraw/zinc/16/87/88/606168788.db2.gz UJHBMMKICRSXRQ-UHFFFAOYSA-N -1 3 397.447 0.798 20 0 GCADHM Cc1cc(N2CCC(NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)nc(C)n1 ZINC000822206089 606168789 /nfs/dbraw/zinc/16/87/89/606168789.db2.gz UJHBMMKICRSXRQ-UHFFFAOYSA-N -1 3 397.447 0.798 20 0 GCADHM C[C@@H]1CN(C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@H](C)O1 ZINC000820741929 606171831 /nfs/dbraw/zinc/17/18/31/606171831.db2.gz GLEMQEHLNWKFEJ-PHIMTYICSA-N -1 3 377.453 0.610 20 0 GCADHM C[C@@H]1CN(C(C)(C)CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@H](C)O1 ZINC000820741929 606171832 /nfs/dbraw/zinc/17/18/32/606171832.db2.gz GLEMQEHLNWKFEJ-PHIMTYICSA-N -1 3 377.453 0.610 20 0 GCADHM CO[C@H](C)c1noc(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000821675230 606172099 /nfs/dbraw/zinc/17/20/99/606172099.db2.gz GXTSFKSXRUBKIT-VVVCHXIZSA-N 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HILAWCDERBNKQO-NSHDSACASA-N -1 3 388.407 0.068 20 0 GCADHM CN(Cc1nnnn1-c1ccccc1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821619081 606176760 /nfs/dbraw/zinc/17/67/60/606176760.db2.gz IVDUTORHBGJLHA-UHFFFAOYSA-N -1 3 397.424 0.663 20 0 GCADHM CN(Cc1nnnn1-c1ccccc1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821619081 606176761 /nfs/dbraw/zinc/17/67/61/606176761.db2.gz IVDUTORHBGJLHA-UHFFFAOYSA-N -1 3 397.424 0.663 20 0 GCADHM C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)C1CC1 ZINC000819857001 606181932 /nfs/dbraw/zinc/18/19/32/606181932.db2.gz NYDXJZZKVOYYQF-GFCCVEGCSA-N -1 3 390.469 0.746 20 0 GCADHM C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1)C1CC1 ZINC000819857001 606181933 /nfs/dbraw/zinc/18/19/33/606181933.db2.gz NYDXJZZKVOYYQF-GFCCVEGCSA-N -1 3 390.469 0.746 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OCCOC1CCC1 ZINC000823054689 606182062 /nfs/dbraw/zinc/18/20/62/606182062.db2.gz CVHKHLZXFWIDHH-UHFFFAOYSA-N -1 3 380.426 0.894 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OCCOC1CCC1 ZINC000823054689 606182064 /nfs/dbraw/zinc/18/20/64/606182064.db2.gz CVHKHLZXFWIDHH-UHFFFAOYSA-N -1 3 380.426 0.894 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CNS(=O)(=O)CCOC(C)C ZINC000822217578 606183599 /nfs/dbraw/zinc/18/35/99/606183599.db2.gz IDWCGECDQPJCMR-UHFFFAOYSA-N -1 3 382.446 0.458 20 0 GCADHM CCCNC(=O)CN(CCC)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821114532 606185656 /nfs/dbraw/zinc/18/56/56/606185656.db2.gz WGGBUHMNBPXALF-UHFFFAOYSA-N -1 3 394.501 0.879 20 0 GCADHM CCCNC(=O)CN(CCC)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821114532 606185658 /nfs/dbraw/zinc/18/56/58/606185658.db2.gz WGGBUHMNBPXALF-UHFFFAOYSA-N -1 3 394.501 0.879 20 0 GCADHM C[C@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC000820481692 606187047 /nfs/dbraw/zinc/18/70/47/606187047.db2.gz YJLATBFBKDTWQI-KBPBESRZSA-N -1 3 394.501 0.027 20 0 GCADHM C[C@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000820481692 606187049 /nfs/dbraw/zinc/18/70/49/606187049.db2.gz YJLATBFBKDTWQI-KBPBESRZSA-N -1 3 394.501 0.027 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820685775 606187446 /nfs/dbraw/zinc/18/74/46/606187446.db2.gz VFBXWBLQLOBPMX-YPMHNXCESA-N -1 3 378.458 0.226 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820685775 606187448 /nfs/dbraw/zinc/18/74/48/606187448.db2.gz VFBXWBLQLOBPMX-YPMHNXCESA-N -1 3 378.458 0.226 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820685769 606187523 /nfs/dbraw/zinc/18/75/23/606187523.db2.gz VFBXWBLQLOBPMX-DGCLKSJQSA-N -1 3 378.458 0.226 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820685769 606187525 /nfs/dbraw/zinc/18/75/25/606187525.db2.gz VFBXWBLQLOBPMX-DGCLKSJQSA-N -1 3 378.458 0.226 20 0 GCADHM CCC[C@](C)(NCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000821007970 606187607 /nfs/dbraw/zinc/18/76/07/606187607.db2.gz FTTFLEXCFUQEDS-INIZCTEOSA-N 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ZINC000822917152 606194598 /nfs/dbraw/zinc/19/45/98/606194598.db2.gz OOBWLDSDEMDVFC-LBPRGKRZSA-N -1 3 377.499 0.759 20 0 GCADHM O=C([C@@H]1CSCCS1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822917152 606194599 /nfs/dbraw/zinc/19/45/99/606194599.db2.gz OOBWLDSDEMDVFC-LBPRGKRZSA-N -1 3 377.499 0.759 20 0 GCADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@@H](O)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC000822014878 606198382 /nfs/dbraw/zinc/19/83/82/606198382.db2.gz ATSAWUNIOQIVAJ-GASCZTMLSA-N -1 3 397.439 0.250 20 0 GCADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2C[C@@H](O)[C@@H](O)C2)c1-c1nn[n-]n1 ZINC000822014878 606198383 /nfs/dbraw/zinc/19/83/83/606198383.db2.gz ATSAWUNIOQIVAJ-GASCZTMLSA-N -1 3 397.439 0.250 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000822623490 606210796 /nfs/dbraw/zinc/21/07/96/606210796.db2.gz YADDUCRKMVRGJU-QWHCGFSZSA-N -1 3 394.457 0.014 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000822623490 606210798 /nfs/dbraw/zinc/21/07/98/606210798.db2.gz YADDUCRKMVRGJU-QWHCGFSZSA-N -1 3 394.457 0.014 20 0 GCADHM CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)ccc1C ZINC000821637835 606213426 /nfs/dbraw/zinc/21/34/26/606213426.db2.gz VVIWUHKTNJDZKS-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM CNS(=O)(=O)c1cc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)ccc1C ZINC000821637835 606213427 /nfs/dbraw/zinc/21/34/27/606213427.db2.gz VVIWUHKTNJDZKS-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000822626594 606220525 /nfs/dbraw/zinc/22/05/25/606220525.db2.gz CTWCFYFLNZBTPA-UHFFFAOYSA-N -1 3 383.387 0.943 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000822626594 606220527 /nfs/dbraw/zinc/22/05/27/606220527.db2.gz CTWCFYFLNZBTPA-UHFFFAOYSA-N -1 3 383.387 0.943 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000822628297 606228023 /nfs/dbraw/zinc/22/80/23/606228023.db2.gz WCNSXYVKPJHNBV-UHFFFAOYSA-N -1 3 379.424 0.732 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000822628297 606228025 /nfs/dbraw/zinc/22/80/25/606228025.db2.gz WCNSXYVKPJHNBV-UHFFFAOYSA-N -1 3 379.424 0.732 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000820502995 606231177 /nfs/dbraw/zinc/23/11/77/606231177.db2.gz XBRWTBPXLSNZSF-PWSUYJOCSA-N -1 3 398.379 0.696 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000820502995 606231178 /nfs/dbraw/zinc/23/11/78/606231178.db2.gz XBRWTBPXLSNZSF-PWSUYJOCSA-N -1 3 398.379 0.696 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000821320454 606233000 /nfs/dbraw/zinc/23/30/00/606233000.db2.gz NHFCHXAOTFPCOJ-MNOVXSKESA-N -1 3 390.400 0.542 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000821320454 606233001 /nfs/dbraw/zinc/23/30/01/606233001.db2.gz NHFCHXAOTFPCOJ-MNOVXSKESA-N -1 3 390.400 0.542 20 0 GCADHM CCOC(=O)CN(C(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC000821330528 606234367 /nfs/dbraw/zinc/23/43/67/606234367.db2.gz MOEOHZMPOCGTKJ-UHFFFAOYSA-N -1 3 398.379 0.948 20 0 GCADHM CCOC(=O)CN(C(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC000821330528 606234369 /nfs/dbraw/zinc/23/43/69/606234369.db2.gz MOEOHZMPOCGTKJ-UHFFFAOYSA-N -1 3 398.379 0.948 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000821627405 606235660 /nfs/dbraw/zinc/23/56/60/606235660.db2.gz ZSGIZGREJBKILO-UHFFFAOYSA-N -1 3 394.439 0.845 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000821627405 606235662 /nfs/dbraw/zinc/23/56/62/606235662.db2.gz ZSGIZGREJBKILO-UHFFFAOYSA-N -1 3 394.439 0.845 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000822222622 606239072 /nfs/dbraw/zinc/23/90/72/606239072.db2.gz OCSYETWSHCIXGY-CQSZACIVSA-N -1 3 389.441 0.671 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000822222622 606239074 /nfs/dbraw/zinc/23/90/74/606239074.db2.gz OCSYETWSHCIXGY-CQSZACIVSA-N -1 3 389.441 0.671 20 0 GCADHM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000822850678 606250075 /nfs/dbraw/zinc/25/00/75/606250075.db2.gz MVXCMHBCWMOOTP-OAHLLOKOSA-N -1 3 380.412 0.179 20 0 GCADHM NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000822850678 606250077 /nfs/dbraw/zinc/25/00/77/606250077.db2.gz MVXCMHBCWMOOTP-OAHLLOKOSA-N -1 3 380.412 0.179 20 0 GCADHM O=C(CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)NCc1ccccc1 ZINC000822996792 606251746 /nfs/dbraw/zinc/25/17/46/606251746.db2.gz JESZRLMIKNZWTO-UHFFFAOYSA-N -1 3 394.439 0.269 20 0 GCADHM O=C(CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)NCc1ccccc1 ZINC000822996792 606251747 /nfs/dbraw/zinc/25/17/47/606251747.db2.gz JESZRLMIKNZWTO-UHFFFAOYSA-N -1 3 394.439 0.269 20 0 GCADHM CCOC(=O)CSc1nnc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)s1 ZINC000821334852 606252468 /nfs/dbraw/zinc/25/24/68/606252468.db2.gz RRUFOAJTLTYXCI-UHFFFAOYSA-N -1 3 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0.839 20 0 GCADHM CCc1nnc2n1C[C@@H](N[C@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821547826 606304410 /nfs/dbraw/zinc/30/44/10/606304410.db2.gz CTGDNPHVLWBTPK-BBRMVZONSA-N -1 3 382.428 0.839 20 0 GCADHM COC(=O)[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821642618 606306219 /nfs/dbraw/zinc/30/62/19/606306219.db2.gz MIDIIGMOSKPWCD-NWDGAFQWSA-N -1 3 398.345 0.834 20 0 GCADHM COC(=O)[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821642618 606306221 /nfs/dbraw/zinc/30/62/21/606306221.db2.gz MIDIIGMOSKPWCD-NWDGAFQWSA-N -1 3 398.345 0.834 20 0 GCADHM COC(=O)[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821642978 606307098 /nfs/dbraw/zinc/30/70/98/606307098.db2.gz SHDYGLOHDKNJIM-GJZGRUSLSA-N -1 3 396.411 0.209 20 0 GCADHM COC(=O)[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821642978 606307099 /nfs/dbraw/zinc/30/70/99/606307099.db2.gz SHDYGLOHDKNJIM-GJZGRUSLSA-N -1 3 396.411 0.209 20 0 GCADHM CCC[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821041053 606307615 /nfs/dbraw/zinc/30/76/15/606307615.db2.gz YJIDNFVFHQTTPZ-LBPRGKRZSA-N -1 3 378.414 0.361 20 0 GCADHM CCC[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821041053 606307617 /nfs/dbraw/zinc/30/76/17/606307617.db2.gz YJIDNFVFHQTTPZ-LBPRGKRZSA-N -1 3 378.414 0.361 20 0 GCADHM O=C1CC2(CCCC2)C(=O)N1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823521092 606308015 /nfs/dbraw/zinc/30/80/15/606308015.db2.gz PUTXHDCBNJLFME-UHFFFAOYSA-N -1 3 389.437 0.960 20 0 GCADHM O=C1CC2(CCCC2)C(=O)N1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823521092 606308017 /nfs/dbraw/zinc/30/80/17/606308017.db2.gz PUTXHDCBNJLFME-UHFFFAOYSA-N -1 3 389.437 0.960 20 0 GCADHM CS/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821956527 606310340 /nfs/dbraw/zinc/31/03/40/606310340.db2.gz QTCWIEKOEMCZQW-IZZDOVSWSA-N -1 3 394.482 0.576 20 0 GCADHM CS/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821956527 606310342 /nfs/dbraw/zinc/31/03/42/606310342.db2.gz QTCWIEKOEMCZQW-IZZDOVSWSA-N -1 3 394.482 0.576 20 0 GCADHM O=S(=O)(CCNCc1nnc2n1CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000823563020 606310531 /nfs/dbraw/zinc/31/05/31/606310531.db2.gz YYZCHRFBTIWVGV-UHFFFAOYSA-N -1 3 388.457 0.358 20 0 GCADHM O=S(=O)(CCNCc1nnc2n1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000823563020 606310532 /nfs/dbraw/zinc/31/05/32/606310532.db2.gz YYZCHRFBTIWVGV-UHFFFAOYSA-N -1 3 388.457 0.358 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(c2ncccn2)CC1 ZINC000821652789 606315132 /nfs/dbraw/zinc/31/51/32/606315132.db2.gz ZTUHOYGKJMWBPH-HNNXBMFYSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(c2ncccn2)CC1 ZINC000821652789 606315134 /nfs/dbraw/zinc/31/51/34/606315134.db2.gz ZTUHOYGKJMWBPH-HNNXBMFYSA-N -1 3 380.412 0.693 20 0 GCADHM CNC(=O)C1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821631432 606315780 /nfs/dbraw/zinc/31/57/80/606315780.db2.gz IZBOILRBNOFGJQ-LBPRGKRZSA-N -1 3 375.458 0.492 20 0 GCADHM CNC(=O)C1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821631432 606315781 /nfs/dbraw/zinc/31/57/81/606315781.db2.gz IZBOILRBNOFGJQ-LBPRGKRZSA-N -1 3 375.458 0.492 20 0 GCADHM O=C1[C@H](N2CCC3(CC2)OCCO3)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503354 606316240 /nfs/dbraw/zinc/31/62/40/606316240.db2.gz DJRKFOLSRJIQCB-GFCCVEGCSA-N -1 3 376.442 0.872 20 0 GCADHM O=C1[C@H](N2CCC3(CC2)OCCO3)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503354 606316241 /nfs/dbraw/zinc/31/62/41/606316241.db2.gz DJRKFOLSRJIQCB-GFCCVEGCSA-N -1 3 376.442 0.872 20 0 GCADHM CCS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821442750 606316790 /nfs/dbraw/zinc/31/67/90/606316790.db2.gz VPXGFTPUQKNONE-CQSZACIVSA-N -1 3 394.457 0.048 20 0 GCADHM CCS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821442750 606316792 /nfs/dbraw/zinc/31/67/92/606316792.db2.gz VPXGFTPUQKNONE-CQSZACIVSA-N -1 3 394.457 0.048 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](c2noc(C)n2)C1 ZINC000821651748 606317523 /nfs/dbraw/zinc/31/75/23/606317523.db2.gz FVTJALSMOIGCBM-KGLIPLIRSA-N -1 3 385.384 0.846 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](c2noc(C)n2)C1 ZINC000821651748 606317525 /nfs/dbraw/zinc/31/75/25/606317525.db2.gz FVTJALSMOIGCBM-KGLIPLIRSA-N -1 3 385.384 0.846 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000823460589 606317689 /nfs/dbraw/zinc/31/76/89/606317689.db2.gz QXTWWWULOKXBOO-NWDGAFQWSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000823460589 606317691 /nfs/dbraw/zinc/31/76/91/606317691.db2.gz QXTWWWULOKXBOO-NWDGAFQWSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000822916843 606318598 /nfs/dbraw/zinc/31/85/98/606318598.db2.gz GALVIKMESLOZCG-NSHDSACASA-N -1 3 379.471 0.285 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000822916843 606318599 /nfs/dbraw/zinc/31/85/99/606318599.db2.gz GALVIKMESLOZCG-NSHDSACASA-N -1 3 379.471 0.285 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000822916842 606318664 /nfs/dbraw/zinc/31/86/64/606318664.db2.gz GALVIKMESLOZCG-LLVKDONJSA-N -1 3 379.471 0.285 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000822916842 606318665 /nfs/dbraw/zinc/31/86/65/606318665.db2.gz GALVIKMESLOZCG-LLVKDONJSA-N -1 3 379.471 0.285 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1)NCc1ccccc1 ZINC000823136090 606318691 /nfs/dbraw/zinc/31/86/91/606318691.db2.gz JPVPEVKPGKSRHY-UHFFFAOYSA-N -1 3 392.383 0.355 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1)NCc1ccccc1 ZINC000823136090 606318692 /nfs/dbraw/zinc/31/86/92/606318692.db2.gz JPVPEVKPGKSRHY-UHFFFAOYSA-N -1 3 392.383 0.355 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000821651924 606321153 /nfs/dbraw/zinc/32/11/53/606321153.db2.gz JCRWBMYWVCOBMH-JKSUJKDBSA-N -1 3 383.412 0.678 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000821651924 606321155 /nfs/dbraw/zinc/32/11/55/606321155.db2.gz JCRWBMYWVCOBMH-JKSUJKDBSA-N -1 3 383.412 0.678 20 0 GCADHM COc1cc2c(nn1)CCN([C@@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)C2 ZINC000821728661 606321612 /nfs/dbraw/zinc/32/16/12/606321612.db2.gz YETAHVFMIKWMFS-CYBMUJFWSA-N -1 3 398.452 0.890 20 0 GCADHM COc1cc2c(nn1)CCN([C@@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)C2 ZINC000821728661 606321614 /nfs/dbraw/zinc/32/16/14/606321614.db2.gz YETAHVFMIKWMFS-CYBMUJFWSA-N -1 3 398.452 0.890 20 0 GCADHM CNC(=O)[C@@H]1CCCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000821631720 606322526 /nfs/dbraw/zinc/32/25/26/606322526.db2.gz QSJDUUIGVJZJFA-ZYHUDNBSSA-N -1 3 375.458 0.492 20 0 GCADHM CNC(=O)[C@@H]1CCCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000821631720 606322528 /nfs/dbraw/zinc/32/25/28/606322528.db2.gz QSJDUUIGVJZJFA-ZYHUDNBSSA-N -1 3 375.458 0.492 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(Cc2noc(C)n2)CC1 ZINC000821651687 606323052 /nfs/dbraw/zinc/32/30/52/606323052.db2.gz DPQQARJWKORVIY-INIZCTEOSA-N -1 3 398.427 0.590 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(Cc2noc(C)n2)CC1 ZINC000821651687 606323053 /nfs/dbraw/zinc/32/30/53/606323053.db2.gz DPQQARJWKORVIY-INIZCTEOSA-N -1 3 398.427 0.590 20 0 GCADHM O=C(COc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCOCC1 ZINC000823373324 606325441 /nfs/dbraw/zinc/32/54/41/606325441.db2.gz WUZZNXMKMHWNIA-UHFFFAOYSA-N -1 3 397.395 0.685 20 0 GCADHM O=C(COc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCOCC1 ZINC000823373324 606325444 /nfs/dbraw/zinc/32/54/44/606325444.db2.gz WUZZNXMKMHWNIA-UHFFFAOYSA-N -1 3 397.395 0.685 20 0 GCADHM CCOC(=O)C1(O)CCN([C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821319530 606328872 /nfs/dbraw/zinc/32/88/72/606328872.db2.gz DMCWGPQJVJUTKA-AWEZNQCLSA-N -1 3 389.412 0.471 20 0 GCADHM CCOC(=O)C1(O)CCN([C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821319530 606328873 /nfs/dbraw/zinc/32/88/73/606328873.db2.gz DMCWGPQJVJUTKA-AWEZNQCLSA-N -1 3 389.412 0.471 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821636598 606332601 /nfs/dbraw/zinc/33/26/01/606332601.db2.gz WBRQOFYDQDVDIO-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821636598 606332603 /nfs/dbraw/zinc/33/26/03/606332603.db2.gz WBRQOFYDQDVDIO-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM NC(=O)C[C@H]1CCCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000822865135 606332848 /nfs/dbraw/zinc/33/28/48/606332848.db2.gz WAAZHMPWPCQNHS-PWSUYJOCSA-N -1 3 375.458 0.621 20 0 GCADHM Cn1nc2c(cc1=O)CN([C@@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)CC2 ZINC000822704963 606333108 /nfs/dbraw/zinc/33/31/08/606333108.db2.gz SYNZGCFDMAJEIT-CYBMUJFWSA-N -1 3 398.452 0.186 20 0 GCADHM Cn1nc2c(cc1=O)CN([C@@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)CC2 ZINC000822704963 606333110 /nfs/dbraw/zinc/33/31/10/606333110.db2.gz SYNZGCFDMAJEIT-CYBMUJFWSA-N -1 3 398.452 0.186 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(c2cnn(C)c2)CC1 ZINC000821652182 606333274 /nfs/dbraw/zinc/33/32/74/606333274.db2.gz NGGABZRPVFVKNQ-MRXNPFEDSA-N -1 3 382.428 0.637 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(c2cnn(C)c2)CC1 ZINC000821652182 606333276 /nfs/dbraw/zinc/33/32/76/606333276.db2.gz NGGABZRPVFVKNQ-MRXNPFEDSA-N -1 3 382.428 0.637 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823600213 606335046 /nfs/dbraw/zinc/33/50/46/606335046.db2.gz DKYJYFTUJXYOAF-GFCCVEGCSA-N -1 3 397.432 0.964 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCN1C1CC1 ZINC000823535676 606335299 /nfs/dbraw/zinc/33/52/99/606335299.db2.gz DOMGNEKEIWNDOS-UHFFFAOYSA-N -1 3 382.833 0.515 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCN1C1CC1 ZINC000823535676 606335300 /nfs/dbraw/zinc/33/53/00/606335300.db2.gz DOMGNEKEIWNDOS-UHFFFAOYSA-N -1 3 382.833 0.515 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CCN2C1=O ZINC000821242381 606340933 /nfs/dbraw/zinc/34/09/33/606340933.db2.gz SKAWABKALSKEBR-BXUZGUMPSA-N -1 3 399.411 0.129 20 0 GCADHM O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823548111 606341980 /nfs/dbraw/zinc/34/19/80/606341980.db2.gz TZGRWBVUEIIXCO-JTQLQIEISA-N -1 3 390.347 0.442 20 0 GCADHM O=C1NCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823548111 606341981 /nfs/dbraw/zinc/34/19/81/606341981.db2.gz TZGRWBVUEIIXCO-JTQLQIEISA-N -1 3 390.347 0.442 20 0 GCADHM C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820234985 606342395 /nfs/dbraw/zinc/34/23/95/606342395.db2.gz PVRCPLSFZDOQNO-LURJTMIESA-N -1 3 378.336 0.428 20 0 GCADHM C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820234985 606342396 /nfs/dbraw/zinc/34/23/96/606342396.db2.gz PVRCPLSFZDOQNO-LURJTMIESA-N -1 3 378.336 0.428 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1=O ZINC000821628294 606343022 /nfs/dbraw/zinc/34/30/22/606343022.db2.gz FLIQPGRXOQNKNT-UHFFFAOYSA-N -1 3 390.347 0.348 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1=O ZINC000821628294 606343025 /nfs/dbraw/zinc/34/30/25/606343025.db2.gz FLIQPGRXOQNKNT-UHFFFAOYSA-N -1 3 390.347 0.348 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821636588 606350941 /nfs/dbraw/zinc/35/09/41/606350941.db2.gz VTVADWJEAZJKGW-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000821636588 606350942 /nfs/dbraw/zinc/35/09/42/606350942.db2.gz VTVADWJEAZJKGW-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM CCN(CCCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)S(C)(=O)=O ZINC000821207742 606352744 /nfs/dbraw/zinc/35/27/44/606352744.db2.gz UFEVHRUZLZBCQQ-UHFFFAOYSA-N -1 3 385.425 0.799 20 0 GCADHM CCN(CCCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)S(C)(=O)=O ZINC000821207742 606352745 /nfs/dbraw/zinc/35/27/45/606352745.db2.gz UFEVHRUZLZBCQQ-UHFFFAOYSA-N -1 3 385.425 0.799 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822205886 606356160 /nfs/dbraw/zinc/35/61/60/606356160.db2.gz MHZOBPNCBPTGQO-CYBMUJFWSA-N -1 3 399.390 0.975 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822205886 606356161 /nfs/dbraw/zinc/35/61/61/606356161.db2.gz MHZOBPNCBPTGQO-CYBMUJFWSA-N -1 3 399.390 0.975 20 0 GCADHM CNS(=O)(=O)CC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821636264 606360939 /nfs/dbraw/zinc/36/09/39/606360939.db2.gz LUJKVXCCZJVAMV-UHFFFAOYSA-N -1 3 393.454 0.402 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000819899754 606364848 /nfs/dbraw/zinc/36/48/48/606364848.db2.gz YFXLTCBWNDECDH-JTQLQIEISA-N -1 3 392.441 0.739 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000819899754 606364850 /nfs/dbraw/zinc/36/48/50/606364850.db2.gz YFXLTCBWNDECDH-JTQLQIEISA-N -1 3 392.441 0.739 20 0 GCADHM CC(C)(CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000819981059 606365360 /nfs/dbraw/zinc/36/53/60/606365360.db2.gz LVONVLPXWNJWAC-CQSZACIVSA-N -1 3 392.485 0.775 20 0 GCADHM CN(CC(F)(F)F)C(=O)CS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821595420 606367337 /nfs/dbraw/zinc/36/73/37/606367337.db2.gz WSXFELLNHMAGLF-UHFFFAOYSA-N -1 3 381.311 0.800 20 0 GCADHM CN(CC(F)(F)F)C(=O)CS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821595420 606367339 /nfs/dbraw/zinc/36/73/39/606367339.db2.gz WSXFELLNHMAGLF-UHFFFAOYSA-N -1 3 381.311 0.800 20 0 GCADHM CN(CC(F)(F)F)C(=O)CN(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821594721 606367455 /nfs/dbraw/zinc/36/74/55/606367455.db2.gz AASVGBDTULREPF-UHFFFAOYSA-N -1 3 392.363 0.508 20 0 GCADHM CN(CC(F)(F)F)C(=O)CN(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821594721 606367457 /nfs/dbraw/zinc/36/74/57/606367457.db2.gz AASVGBDTULREPF-UHFFFAOYSA-N -1 3 392.363 0.508 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822880528 606368756 /nfs/dbraw/zinc/36/87/56/606368756.db2.gz QTEOEWMWPOVOPU-LBPRGKRZSA-N -1 3 398.404 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382.398 0.305 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H](C)CS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821646114 606379823 /nfs/dbraw/zinc/37/98/23/606379823.db2.gz BKWZJRHZEPUICQ-CABZTGNLSA-N -1 3 382.398 0.305 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000820292355 606379930 /nfs/dbraw/zinc/37/99/30/606379930.db2.gz DKEPMHLTEZSJBF-WPRPVWTQSA-N -1 3 399.454 0.257 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820292355 606379932 /nfs/dbraw/zinc/37/99/32/606379932.db2.gz DKEPMHLTEZSJBF-WPRPVWTQSA-N -1 3 399.454 0.257 20 0 GCADHM CN(C(=O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000821570842 606385657 /nfs/dbraw/zinc/38/56/57/606385657.db2.gz NWMAKFZZWGOLDV-UHFFFAOYSA-N -1 3 385.428 0.713 20 0 GCADHM CN(C(=O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000821570842 606385659 /nfs/dbraw/zinc/38/56/59/606385659.db2.gz NWMAKFZZWGOLDV-UHFFFAOYSA-N -1 3 385.428 0.713 20 0 GCADHM 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3 378.458 0.853 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000822223559 606434354 /nfs/dbraw/zinc/43/43/54/606434354.db2.gz BONQCMBSAVARPK-LBPRGKRZSA-N -1 3 378.458 0.853 20 0 GCADHM CCn1nc2c(cc1=O)CN(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821568109 606435040 /nfs/dbraw/zinc/43/50/40/606435040.db2.gz HUYFVSWTDFAVES-UHFFFAOYSA-N -1 3 387.425 0.190 20 0 GCADHM CCn1nc2c(cc1=O)CN(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821568109 606435042 /nfs/dbraw/zinc/43/50/42/606435042.db2.gz HUYFVSWTDFAVES-UHFFFAOYSA-N -1 3 387.425 0.190 20 0 GCADHM C[C@@H](NC(=O)NCCSCc1ccccc1-c1nnn[n-]1)C(=O)N(C)C ZINC000821995047 606438700 /nfs/dbraw/zinc/43/87/00/606438700.db2.gz XMFFYRJSVFFOOR-LLVKDONJSA-N -1 3 377.474 0.876 20 0 GCADHM C[C@@H](NC(=O)NCCSCc1ccccc1-c1nn[n-]n1)C(=O)N(C)C ZINC000821995047 606438702 /nfs/dbraw/zinc/43/87/02/606438702.db2.gz XMFFYRJSVFFOOR-LLVKDONJSA-N -1 3 377.474 0.876 20 0 GCADHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821620544 606438712 /nfs/dbraw/zinc/43/87/12/606438712.db2.gz OKARRSHQYYMESG-PIGZYNQJSA-N -1 3 384.400 0.709 20 0 GCADHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821620544 606438714 /nfs/dbraw/zinc/43/87/14/606438714.db2.gz OKARRSHQYYMESG-PIGZYNQJSA-N -1 3 384.400 0.709 20 0 GCADHM COC(=O)C1(CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC000821653518 606440482 /nfs/dbraw/zinc/44/04/82/606440482.db2.gz CWOYFVIHWANONF-UHFFFAOYSA-N -1 3 388.432 0.706 20 0 GCADHM COC(=O)C1(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC000821653518 606440484 /nfs/dbraw/zinc/44/04/84/606440484.db2.gz CWOYFVIHWANONF-UHFFFAOYSA-N -1 3 388.432 0.706 20 0 GCADHM CN(CCN1CCCS1(=O)=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821601735 606440857 /nfs/dbraw/zinc/44/08/57/606440857.db2.gz XLBHDVXFYQIPOI-UHFFFAOYSA-N -1 3 379.446 0.044 20 0 GCADHM CN(CCN1CCCS1(=O)=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821601735 606440858 /nfs/dbraw/zinc/44/08/58/606440858.db2.gz XLBHDVXFYQIPOI-UHFFFAOYSA-N -1 3 379.446 0.044 20 0 GCADHM CNC(=O)CCOC1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821633104 606440875 /nfs/dbraw/zinc/44/08/75/606440875.db2.gz YRWCZQYUKKDHKP-UHFFFAOYSA-N -1 3 387.444 0.693 20 0 GCADHM CNC(=O)CCOC1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821633104 606440876 /nfs/dbraw/zinc/44/08/76/606440876.db2.gz YRWCZQYUKKDHKP-UHFFFAOYSA-N -1 3 387.444 0.693 20 0 GCADHM C[C@H](NC(=O)N(C)CCN1CCCS1(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820340913 606441485 /nfs/dbraw/zinc/44/14/85/606441485.db2.gz NRYLJKNJOXAMGV-LBPRGKRZSA-N -1 3 393.473 0.605 20 0 GCADHM C[C@H](NC(=O)N(C)CCN1CCCS1(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820340913 606441486 /nfs/dbraw/zinc/44/14/86/606441486.db2.gz NRYLJKNJOXAMGV-LBPRGKRZSA-N -1 3 393.473 0.605 20 0 GCADHM Cc1cc(C)n(-c2cncc(NCCCc3[nH]nc(N)c3-c3nnn[n-]3)n2)n1 ZINC000822197883 606441509 /nfs/dbraw/zinc/44/15/09/606441509.db2.gz SMSUNYFFQIZDTI-UHFFFAOYSA-N -1 3 380.420 0.809 20 0 GCADHM NC(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)o1 ZINC000822886050 606442634 /nfs/dbraw/zinc/44/26/34/606442634.db2.gz ZRKZFEVJBGCCDF-UHFFFAOYSA-N -1 3 396.411 0.590 20 0 GCADHM NC(=O)c1ccc(CNC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)o1 ZINC000822886050 606442635 /nfs/dbraw/zinc/44/26/35/606442635.db2.gz ZRKZFEVJBGCCDF-UHFFFAOYSA-N -1 3 396.411 0.590 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000821612042 606443694 /nfs/dbraw/zinc/44/36/94/606443694.db2.gz GDWJGXXROVBWMG-UHFFFAOYSA-N -1 3 378.458 0.833 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000821612042 606443696 /nfs/dbraw/zinc/44/36/96/606443696.db2.gz GDWJGXXROVBWMG-UHFFFAOYSA-N -1 3 378.458 0.833 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CCN2C1=O ZINC000821240231 606449318 /nfs/dbraw/zinc/44/93/18/606449318.db2.gz FUDFLUGLAAOQRC-NPQIQWPPSA-N -1 3 381.396 0.375 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CCN2C1=O ZINC000821240231 606449320 /nfs/dbraw/zinc/44/93/20/606449320.db2.gz FUDFLUGLAAOQRC-NPQIQWPPSA-N -1 3 381.396 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CCC[C@@H]1C[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821035035 606457187 /nfs/dbraw/zinc/45/71/87/606457187.db2.gz ZJBNKDQRWXMFSX-ZIAGYGMSSA-N -1 3 395.427 0.750 20 0 GCADHM COC(=O)C1(CNC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CCCC1 ZINC000821653626 606457195 /nfs/dbraw/zinc/45/71/95/606457195.db2.gz GJQRPSRRXUSNGY-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM COC(=O)C1(CNC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CCCC1 ZINC000821653626 606457196 /nfs/dbraw/zinc/45/71/96/606457196.db2.gz GJQRPSRRXUSNGY-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821653654 606457304 /nfs/dbraw/zinc/45/73/04/606457304.db2.gz GXVKGPFFCRPTRJ-HNNXBMFYSA-N -1 3 396.766 0.572 20 0 GCADHM COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821653654 606457305 /nfs/dbraw/zinc/45/73/05/606457305.db2.gz GXVKGPFFCRPTRJ-HNNXBMFYSA-N -1 3 396.766 0.572 20 0 GCADHM COCCNC(=O)c1ccc(NCCNc2ncccc2-c2nnn[n-]2)nc1 ZINC000821691027 606460664 /nfs/dbraw/zinc/46/06/64/606460664.db2.gz FZKJKTPUSYQMIB-UHFFFAOYSA-N -1 3 383.416 0.557 20 0 GCADHM COCCNC(=O)c1ccc(NCCNc2ncccc2-c2nn[n-]n2)nc1 ZINC000821691027 606460665 /nfs/dbraw/zinc/46/06/65/606460665.db2.gz FZKJKTPUSYQMIB-UHFFFAOYSA-N -1 3 383.416 0.557 20 0 GCADHM CCOC(=O)c1cnn(CCOC(=O)c2cc(-c3nnn[n-]3)cs2)c1N ZINC000821343152 606464352 /nfs/dbraw/zinc/46/43/52/606464352.db2.gz KKBZMGXVKGKKOA-UHFFFAOYSA-N -1 3 377.386 0.741 20 0 GCADHM CCOC(=O)c1cnn(CCOC(=O)c2cc(-c3nn[n-]n3)cs2)c1N ZINC000821343152 606464354 /nfs/dbraw/zinc/46/43/54/606464354.db2.gz KKBZMGXVKGKKOA-UHFFFAOYSA-N -1 3 377.386 0.741 20 0 GCADHM COc1cc(C[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc(OC)c1 ZINC000821711827 606476945 /nfs/dbraw/zinc/47/69/45/606476945.db2.gz ANBHMEBKFQLNOQ-GFCCVEGCSA-N -1 3 386.412 0.793 20 0 GCADHM COc1cc(C[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc(OC)c1 ZINC000821711827 606476947 /nfs/dbraw/zinc/47/69/47/606476947.db2.gz ANBHMEBKFQLNOQ-GFCCVEGCSA-N -1 3 386.412 0.793 20 0 GCADHM COc1cc(C[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc(OC)c1 ZINC000821711831 606476951 /nfs/dbraw/zinc/47/69/51/606476951.db2.gz ANBHMEBKFQLNOQ-LBPRGKRZSA-N -1 3 386.412 0.793 20 0 GCADHM COc1cc(C[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc(OC)c1 ZINC000821711831 606476952 /nfs/dbraw/zinc/47/69/52/606476952.db2.gz ANBHMEBKFQLNOQ-LBPRGKRZSA-N -1 3 386.412 0.793 20 0 GCADHM CS(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000821932434 606482633 /nfs/dbraw/zinc/48/26/33/606482633.db2.gz MJUPFWQQFXWJEE-UHFFFAOYSA-N -1 3 388.400 0.545 20 0 GCADHM CS(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000821932434 606482634 /nfs/dbraw/zinc/48/26/34/606482634.db2.gz MJUPFWQQFXWJEE-UHFFFAOYSA-N -1 3 388.400 0.545 20 0 GCADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCO[C@H](Cn2cncn2)C1 ZINC000822733320 606489280 /nfs/dbraw/zinc/48/92/80/606489280.db2.gz XOODDOSPFXWHMR-ZDUSSCGKSA-N -1 3 392.370 0.961 20 0 GCADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCO[C@H](Cn2cncn2)C1 ZINC000822733320 606489281 /nfs/dbraw/zinc/48/92/81/606489281.db2.gz XOODDOSPFXWHMR-ZDUSSCGKSA-N -1 3 392.370 0.961 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822267229 606489462 /nfs/dbraw/zinc/48/94/62/606489462.db2.gz PCRBXEKOWXJLBA-UHFFFAOYSA-N -1 3 392.466 0.945 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822267229 606489465 /nfs/dbraw/zinc/48/94/65/606489465.db2.gz PCRBXEKOWXJLBA-UHFFFAOYSA-N -1 3 392.466 0.945 20 0 GCADHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CN1CCO[C@@H](Cn2cncn2)C1 ZINC000822733319 606489527 /nfs/dbraw/zinc/48/95/27/606489527.db2.gz XOODDOSPFXWHMR-CYBMUJFWSA-N -1 3 392.370 0.961 20 0 GCADHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CN1CCO[C@@H](Cn2cncn2)C1 ZINC000822733319 606489528 /nfs/dbraw/zinc/48/95/28/606489528.db2.gz XOODDOSPFXWHMR-CYBMUJFWSA-N -1 3 392.370 0.961 20 0 GCADHM CN(CC(=O)N1CCOCC1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821592828 606490863 /nfs/dbraw/zinc/49/08/63/606490863.db2.gz WZYWYFBNHNNITQ-UHFFFAOYSA-N -1 3 382.371 0.759 20 0 GCADHM CN(CC(=O)N1CCOCC1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821592828 606490865 /nfs/dbraw/zinc/49/08/65/606490865.db2.gz WZYWYFBNHNNITQ-UHFFFAOYSA-N -1 3 382.371 0.759 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822895183 606491418 /nfs/dbraw/zinc/49/14/18/606491418.db2.gz MYNIZJIVYSCOGW-NSHDSACASA-N -1 3 388.400 0.721 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822895183 606491419 /nfs/dbraw/zinc/49/14/19/606491419.db2.gz MYNIZJIVYSCOGW-NSHDSACASA-N -1 3 388.400 0.721 20 0 GCADHM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822859429 606492464 /nfs/dbraw/zinc/49/24/64/606492464.db2.gz HBSFELXEPVSTLQ-CMPLNLGQSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822859429 606492466 /nfs/dbraw/zinc/49/24/66/606492466.db2.gz HBSFELXEPVSTLQ-CMPLNLGQSA-N -1 3 384.849 0.843 20 0 GCADHM COCCCN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821686881 606497115 /nfs/dbraw/zinc/49/71/15/606497115.db2.gz DCNIVFLPKRFJNO-OAHLLOKOSA-N -1 3 393.469 0.461 20 0 GCADHM COCCCN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821686881 606497117 /nfs/dbraw/zinc/49/71/17/606497117.db2.gz DCNIVFLPKRFJNO-OAHLLOKOSA-N -1 3 393.469 0.461 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N(C)CCN1CCCS1(=O)=O ZINC000819866441 606505110 /nfs/dbraw/zinc/50/51/10/606505110.db2.gz MWUWJAQMQXOZHT-GFCCVEGCSA-N -1 3 393.473 0.161 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)CCN1CCCS1(=O)=O ZINC000819866441 606505112 /nfs/dbraw/zinc/50/51/12/606505112.db2.gz MWUWJAQMQXOZHT-GFCCVEGCSA-N -1 3 393.473 0.161 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1ccnc(N2CCOCC2)c1 ZINC000823103760 606507896 /nfs/dbraw/zinc/50/78/96/606507896.db2.gz KXMMFCGEXPGORB-UHFFFAOYSA-N -1 3 379.424 0.957 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1ccnc(N2CCOCC2)c1 ZINC000823103760 606507898 /nfs/dbraw/zinc/50/78/98/606507898.db2.gz KXMMFCGEXPGORB-UHFFFAOYSA-N -1 3 379.424 0.957 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)cc1 ZINC000822886051 606515047 /nfs/dbraw/zinc/51/50/47/606515047.db2.gz ZTUCPPVRCBMZCL-UHFFFAOYSA-N -1 3 383.437 0.990 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)cc1 ZINC000822886051 606515048 /nfs/dbraw/zinc/51/50/48/606515048.db2.gz ZTUCPPVRCBMZCL-UHFFFAOYSA-N -1 3 383.437 0.990 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cn1 ZINC000821691051 606517838 /nfs/dbraw/zinc/51/78/38/606517838.db2.gz GVSIEOFLGMLMJG-UHFFFAOYSA-N -1 3 376.402 0.140 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cn1 ZINC000821691051 606517840 /nfs/dbraw/zinc/51/78/40/606517840.db2.gz GVSIEOFLGMLMJG-UHFFFAOYSA-N -1 3 376.402 0.140 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000823088018 606520182 /nfs/dbraw/zinc/52/01/82/606520182.db2.gz WDPFZFIPUMBSFN-UHFFFAOYSA-N -1 3 384.440 0.507 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000823088018 606520183 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KRVVJQKRZFCKIS-ZIAGYGMSSA-N -1 3 399.411 0.049 20 0 GCADHM Cc1sc(NC(=O)CN2CCN3C(=O)NC[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822559208 606522718 /nfs/dbraw/zinc/52/27/18/606522718.db2.gz YBBAZXTYZKXBHH-JTQLQIEISA-N -1 3 376.446 0.193 20 0 GCADHM Cc1sc(NC(=O)CN2CCN3C(=O)NC[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822559208 606522720 /nfs/dbraw/zinc/52/27/20/606522720.db2.gz YBBAZXTYZKXBHH-JTQLQIEISA-N -1 3 376.446 0.193 20 0 GCADHM O=C(CN1CCN2C(=O)NC[C@H]2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822996313 606523360 /nfs/dbraw/zinc/52/33/60/606523360.db2.gz BTMSWRHBRUYCMZ-JTQLQIEISA-N -1 3 376.808 0.168 20 0 GCADHM O=C(CN1CCN2C(=O)NC[C@H]2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822996313 606523362 /nfs/dbraw/zinc/52/33/62/606523362.db2.gz BTMSWRHBRUYCMZ-JTQLQIEISA-N -1 3 376.808 0.168 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000823092751 606531750 /nfs/dbraw/zinc/53/17/50/606531750.db2.gz JRJUBMSBNRWBPL-SFHVURJKSA-N -1 3 388.497 0.733 20 0 GCADHM 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NS(=O)(=O)Cc1cccc(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822895630 606546200 /nfs/dbraw/zinc/54/62/00/606546200.db2.gz WDNMLYNLPFZETN-UHFFFAOYSA-N -1 3 386.437 0.514 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822895630 606546202 /nfs/dbraw/zinc/54/62/02/606546202.db2.gz WDNMLYNLPFZETN-UHFFFAOYSA-N -1 3 386.437 0.514 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CC(N)=O)C1CCOCC1 ZINC000820542602 606546624 /nfs/dbraw/zinc/54/66/24/606546624.db2.gz OYHZZSKRRHVYJA-RISCZKNCSA-N -1 3 388.428 0.421 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CC(N)=O)C1CCOCC1 ZINC000820542602 606546626 /nfs/dbraw/zinc/54/66/26/606546626.db2.gz OYHZZSKRRHVYJA-RISCZKNCSA-N -1 3 388.428 0.421 20 0 GCADHM CC[C@H](NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC000820915694 606549389 /nfs/dbraw/zinc/54/93/89/606549389.db2.gz WOPADDJGDHLWCY-DOMZBBRYSA-N -1 3 388.428 0.388 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C[C@H]2C)CC1 ZINC000819796793 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GCADHM NC(=O)CCNC(=O)c1cccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822869255 606551532 /nfs/dbraw/zinc/55/15/32/606551532.db2.gz RRCGRNZUWRDEFC-UHFFFAOYSA-N -1 3 393.407 0.653 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000820032933 606552312 /nfs/dbraw/zinc/55/23/12/606552312.db2.gz QJTYVUAIEIPNLL-SWLSCSKDSA-N -1 3 385.428 0.506 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000820032933 606552313 /nfs/dbraw/zinc/55/23/13/606552313.db2.gz QJTYVUAIEIPNLL-SWLSCSKDSA-N -1 3 385.428 0.506 20 0 GCADHM CS(=O)(=O)NCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821936604 606558984 /nfs/dbraw/zinc/55/89/84/606558984.db2.gz CCCZOSBJCFEGHI-UHFFFAOYSA-N -1 3 391.356 0.451 20 0 GCADHM CS(=O)(=O)NCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000821936604 606558985 /nfs/dbraw/zinc/55/89/85/606558985.db2.gz CCCZOSBJCFEGHI-UHFFFAOYSA-N -1 3 391.356 0.451 20 0 GCADHM C[C@@H](NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)N1CCCCC1 ZINC000820327640 606566591 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391.369 0.958 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821637480 606572813 /nfs/dbraw/zinc/57/28/13/606572813.db2.gz HOGWASUEFQQBEU-UHFFFAOYSA-N -1 3 398.448 0.907 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821637480 606572815 /nfs/dbraw/zinc/57/28/15/606572815.db2.gz HOGWASUEFQQBEU-UHFFFAOYSA-N -1 3 398.448 0.907 20 0 GCADHM C[C@@]1(C2CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)NC(=O)NC1=O ZINC000820612367 606573141 /nfs/dbraw/zinc/57/31/41/606573141.db2.gz CRRGAODXQJWYIA-HNNXBMFYSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@@]1(C2CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)NC(=O)NC1=O ZINC000820612367 606573143 /nfs/dbraw/zinc/57/31/43/606573143.db2.gz CRRGAODXQJWYIA-HNNXBMFYSA-N -1 3 375.414 0.379 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC2(CNC(=O)C2)CC1 ZINC000823521137 606575475 /nfs/dbraw/zinc/57/54/75/606575475.db2.gz QSMNZZAEMTUBAV-INIZCTEOSA-N -1 3 395.467 0.964 20 0 GCADHM 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CCOc1cc(-c2nnn[n-]2)ccc1O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000821394959 606614621 /nfs/dbraw/zinc/61/46/21/606614621.db2.gz QTZFQCFLDPAJQJ-LBPRGKRZSA-N -1 3 388.428 0.723 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)ccc1O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000821394959 606614623 /nfs/dbraw/zinc/61/46/23/606614623.db2.gz QTZFQCFLDPAJQJ-LBPRGKRZSA-N -1 3 388.428 0.723 20 0 GCADHM CC[C@H](C[C@H](C)CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820882598 606614768 /nfs/dbraw/zinc/61/47/68/606614768.db2.gz VAEJUWVQNSVUDW-CMPLNLGQSA-N -1 3 376.417 0.727 20 0 GCADHM CC[C@H](C[C@H](C)CO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820882598 606614770 /nfs/dbraw/zinc/61/47/70/606614770.db2.gz VAEJUWVQNSVUDW-CMPLNLGQSA-N -1 3 376.417 0.727 20 0 GCADHM CO[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1(C)C ZINC000821678637 606615007 /nfs/dbraw/zinc/61/50/07/606615007.db2.gz QJCZKFVYKNTEHZ-KBPBESRZSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1(C)C ZINC000821678637 606615008 /nfs/dbraw/zinc/61/50/08/606615008.db2.gz QJCZKFVYKNTEHZ-KBPBESRZSA-N -1 3 386.460 0.907 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000821755269 606615400 /nfs/dbraw/zinc/61/54/00/606615400.db2.gz CYUXQWMPJPLUCJ-SWLSCSKDSA-N -1 3 388.428 0.991 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CCO[C@@H]1C(C)C ZINC000821755269 606615401 /nfs/dbraw/zinc/61/54/01/606615401.db2.gz CYUXQWMPJPLUCJ-SWLSCSKDSA-N -1 3 388.428 0.991 20 0 GCADHM CC(C)S(=O)(=O)CCN1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820184150 606616073 /nfs/dbraw/zinc/61/60/73/606616073.db2.gz UFGFJHCZVLPYDN-UHFFFAOYSA-N -1 3 378.502 0.808 20 0 GCADHM CC(C)S(=O)(=O)CCN1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820184150 606616074 /nfs/dbraw/zinc/61/60/74/606616074.db2.gz UFGFJHCZVLPYDN-UHFFFAOYSA-N -1 3 378.502 0.808 20 0 GCADHM CN1CCN(CC(=O)NCCSCc2ccccc2-c2nn[n-]n2)CC1 ZINC000821627186 606617280 /nfs/dbraw/zinc/61/72/80/606617280.db2.gz QQGSSTGKYGTJHI-UHFFFAOYSA-N -1 3 375.502 0.464 20 0 GCADHM Cc1oc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1S(=O)(=O)N(C)C ZINC000267867366 606618511 /nfs/dbraw/zinc/61/85/11/606618511.db2.gz PTAROPHRSIRSRR-UHFFFAOYSA-N -1 3 390.425 0.948 20 0 GCADHM Cc1oc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1S(=O)(=O)N(C)C ZINC000267867366 606618513 /nfs/dbraw/zinc/61/85/13/606618513.db2.gz PTAROPHRSIRSRR-UHFFFAOYSA-N -1 3 390.425 0.948 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821636101 606623538 /nfs/dbraw/zinc/62/35/38/606623538.db2.gz FQISXWXHTUCLJS-RYUDHWBXSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821636101 606623539 /nfs/dbraw/zinc/62/35/39/606623539.db2.gz FQISXWXHTUCLJS-RYUDHWBXSA-N -1 3 393.473 0.207 20 0 GCADHM CN(C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nnn[n-]2)c1 ZINC000821569592 606628568 /nfs/dbraw/zinc/62/85/68/606628568.db2.gz OYCQZTAAPPCMRU-HNNXBMFYSA-N -1 3 385.409 0.560 20 0 GCADHM CN(C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nn[n-]n2)c1 ZINC000821569592 606628570 /nfs/dbraw/zinc/62/85/70/606628570.db2.gz OYCQZTAAPPCMRU-HNNXBMFYSA-N -1 3 385.409 0.560 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823001242 606632084 /nfs/dbraw/zinc/63/20/84/606632084.db2.gz IUISHRWRWZZTPV-CABCVRRESA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823001242 606632085 /nfs/dbraw/zinc/63/20/85/606632085.db2.gz IUISHRWRWZZTPV-CABCVRRESA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OCC[C@@H]1CCOC1=O ZINC000823055368 606635332 /nfs/dbraw/zinc/63/53/32/606635332.db2.gz NHADJVUCJYUZEO-CYBMUJFWSA-N -1 3 394.409 0.278 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OCC[C@@H]1CCOC1=O ZINC000823055368 606635333 /nfs/dbraw/zinc/63/53/33/606635333.db2.gz NHADJVUCJYUZEO-CYBMUJFWSA-N -1 3 394.409 0.278 20 0 GCADHM C[C@H](CC(N)=O)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000820231645 606639414 /nfs/dbraw/zinc/63/94/14/606639414.db2.gz CQAULOVEMXWOFB-ZCFIWIBFSA-N -1 3 389.235 0.171 20 0 GCADHM C[C@H](CC(N)=O)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000820231645 606639415 /nfs/dbraw/zinc/63/94/15/606639415.db2.gz CQAULOVEMXWOFB-ZCFIWIBFSA-N -1 3 389.235 0.171 20 0 GCADHM COCCOC1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821691935 606640376 /nfs/dbraw/zinc/64/03/76/606640376.db2.gz KDYQQQDLFKXNEY-UHFFFAOYSA-N -1 3 380.792 0.332 20 0 GCADHM COCCOC1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821691935 606640377 /nfs/dbraw/zinc/64/03/77/606640377.db2.gz KDYQQQDLFKXNEY-UHFFFAOYSA-N -1 3 380.792 0.332 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000822439404 606640988 /nfs/dbraw/zinc/64/09/88/606640988.db2.gz AVBSUCVFKUNVJT-HNNXBMFYSA-N -1 3 397.443 0.974 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000822439404 606640989 /nfs/dbraw/zinc/64/09/89/606640989.db2.gz AVBSUCVFKUNVJT-HNNXBMFYSA-N -1 3 397.443 0.974 20 0 GCADHM O=S1(=O)C[C@H](NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c2ccccc21 ZINC000823612542 606657728 /nfs/dbraw/zinc/65/77/28/606657728.db2.gz AYFITCUVFWSIIO-GWCFXTLKSA-N -1 3 386.441 0.223 20 0 GCADHM O=S1(=O)C[C@H](NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c2ccccc21 ZINC000823612542 606657729 /nfs/dbraw/zinc/65/77/29/606657729.db2.gz AYFITCUVFWSIIO-GWCFXTLKSA-N -1 3 386.441 0.223 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821688701 606659049 /nfs/dbraw/zinc/65/90/49/606659049.db2.gz WOTAWAFRIIKNSE-UHFFFAOYSA-N -1 3 398.427 0.697 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821688701 606659050 /nfs/dbraw/zinc/65/90/50/606659050.db2.gz WOTAWAFRIIKNSE-UHFFFAOYSA-N -1 3 398.427 0.697 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821695251 606659078 /nfs/dbraw/zinc/65/90/78/606659078.db2.gz PKTDMGIYFOMOOG-UHFFFAOYSA-N -1 3 384.400 0.307 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821695251 606659079 /nfs/dbraw/zinc/65/90/79/606659079.db2.gz PKTDMGIYFOMOOG-UHFFFAOYSA-N -1 3 384.400 0.307 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000823246196 606659188 /nfs/dbraw/zinc/65/91/88/606659188.db2.gz GRIUZJHAPBTXSC-UHFFFAOYSA-N -1 3 390.367 0.097 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(-c2ncccn2)c1 ZINC000823246196 606659189 /nfs/dbraw/zinc/65/91/89/606659189.db2.gz GRIUZJHAPBTXSC-UHFFFAOYSA-N -1 3 390.367 0.097 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821695455 606659297 /nfs/dbraw/zinc/65/92/97/606659297.db2.gz ZYATWLVDBXEZIQ-NSHDSACASA-N -1 3 384.400 0.526 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821695455 606659298 /nfs/dbraw/zinc/65/92/98/606659298.db2.gz ZYATWLVDBXEZIQ-NSHDSACASA-N -1 3 384.400 0.526 20 0 GCADHM CN(C)C(=O)COC1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821578120 606660510 /nfs/dbraw/zinc/66/05/10/606660510.db2.gz OLZUTDSMRXDOTG-UHFFFAOYSA-N -1 3 379.808 0.841 20 0 GCADHM CN(C)C(=O)COC1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821578120 606660511 /nfs/dbraw/zinc/66/05/11/606660511.db2.gz OLZUTDSMRXDOTG-UHFFFAOYSA-N -1 3 379.808 0.841 20 0 GCADHM COC(=O)[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C[C@H]1C ZINC000821655000 606661412 /nfs/dbraw/zinc/66/14/12/606661412.db2.gz CCMBMQTYVNYPJA-LERXQTSPSA-N -1 3 384.396 0.240 20 0 GCADHM CCN(CC)C(=O)CCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821175711 606663635 /nfs/dbraw/zinc/66/36/35/606663635.db2.gz TYSDWSNTUFHLRP-UHFFFAOYSA-N -1 3 386.460 0.559 20 0 GCADHM CCN(CC)C(=O)CCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821175711 606663636 /nfs/dbraw/zinc/66/36/36/606663636.db2.gz TYSDWSNTUFHLRP-UHFFFAOYSA-N -1 3 386.460 0.559 20 0 GCADHM CS(=O)(=O)NC1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821931211 606664615 /nfs/dbraw/zinc/66/46/15/606664615.db2.gz AWUNJUWRBFYONQ-UHFFFAOYSA-N -1 3 386.384 0.299 20 0 GCADHM CS(=O)(=O)NC1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821931211 606664616 /nfs/dbraw/zinc/66/46/16/606664616.db2.gz AWUNJUWRBFYONQ-UHFFFAOYSA-N -1 3 386.384 0.299 20 0 GCADHM CS(=O)(=O)N1CCCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821932707 606666493 /nfs/dbraw/zinc/66/64/93/606666493.db2.gz PRYJBSZLMLKFPZ-UHFFFAOYSA-N -1 3 386.384 0.252 20 0 GCADHM CS(=O)(=O)N1CCCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821932707 606666494 /nfs/dbraw/zinc/66/64/94/606666494.db2.gz PRYJBSZLMLKFPZ-UHFFFAOYSA-N -1 3 386.384 0.252 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000823455101 606667296 /nfs/dbraw/zinc/66/72/96/606667296.db2.gz WGELVAKLTKVBGP-SNVBAGLBSA-N -1 3 383.380 0.937 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000823455101 606667297 /nfs/dbraw/zinc/66/72/97/606667297.db2.gz WGELVAKLTKVBGP-SNVBAGLBSA-N -1 3 383.380 0.937 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000823455097 606667314 /nfs/dbraw/zinc/66/73/14/606667314.db2.gz WGELVAKLTKVBGP-JTQLQIEISA-N -1 3 383.380 0.937 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000823455097 606667315 /nfs/dbraw/zinc/66/73/15/606667315.db2.gz WGELVAKLTKVBGP-JTQLQIEISA-N -1 3 383.380 0.937 20 0 GCADHM O=C(c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)N1CCN(CCO)CC1 ZINC000823487326 606669274 /nfs/dbraw/zinc/66/92/74/606669274.db2.gz AOXNKZIUKFILAE-UHFFFAOYSA-N -1 3 398.423 0.789 20 0 GCADHM NS(=O)(=O)c1cccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000822899389 606669697 /nfs/dbraw/zinc/66/96/97/606669697.db2.gz IJOLOWHECUVHKK-UHFFFAOYSA-N -1 3 394.363 0.722 20 0 GCADHM NS(=O)(=O)c1cccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822899389 606669698 /nfs/dbraw/zinc/66/96/98/606669698.db2.gz IJOLOWHECUVHKK-UHFFFAOYSA-N -1 3 394.363 0.722 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cn1 ZINC000821577948 606676954 /nfs/dbraw/zinc/67/69/54/606676954.db2.gz GBDSVGSOHIUQMS-UHFFFAOYSA-N -1 3 376.327 0.682 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000821577948 606676955 /nfs/dbraw/zinc/67/69/55/606676955.db2.gz GBDSVGSOHIUQMS-UHFFFAOYSA-N -1 3 376.327 0.682 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822669974 606677276 /nfs/dbraw/zinc/67/72/76/606677276.db2.gz XCGUYZAOADODRC-UHFFFAOYSA-N -1 3 380.412 0.267 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822669974 606677277 /nfs/dbraw/zinc/67/72/77/606677277.db2.gz XCGUYZAOADODRC-UHFFFAOYSA-N -1 3 380.412 0.267 20 0 GCADHM Cc1nc(CN2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)no1 ZINC000822439916 606681880 /nfs/dbraw/zinc/68/18/80/606681880.db2.gz FTUCGCKKKWLBSV-UHFFFAOYSA-N -1 3 390.354 0.794 20 0 GCADHM Cc1nc(CN2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)no1 ZINC000822439916 606681881 /nfs/dbraw/zinc/68/18/81/606681881.db2.gz FTUCGCKKKWLBSV-UHFFFAOYSA-N -1 3 390.354 0.794 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000823459993 606682155 /nfs/dbraw/zinc/68/21/55/606682155.db2.gz FJDBTDSBKYNAIA-UONOGXRCSA-N 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3 376.396 0.609 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821509346 606749349 /nfs/dbraw/zinc/74/93/49/606749349.db2.gz GTLRAGKSYFFUBM-GFCCVEGCSA-N -1 3 399.390 0.750 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821509346 606749351 /nfs/dbraw/zinc/74/93/51/606749351.db2.gz GTLRAGKSYFFUBM-GFCCVEGCSA-N -1 3 399.390 0.750 20 0 GCADHM Cc1oc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1S(N)(=O)=O ZINC000822540484 606752490 /nfs/dbraw/zinc/75/24/90/606752490.db2.gz BNPRYWZYLWUYEY-UHFFFAOYSA-N -1 3 381.345 0.912 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC(S(C)(=O)=O)CC1 ZINC000819875705 606752728 /nfs/dbraw/zinc/75/27/28/606752728.db2.gz CAKBQSXBLFEHES-LLVKDONJSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC(S(C)(=O)=O)CC1 ZINC000819875705 606752729 /nfs/dbraw/zinc/75/27/29/606752729.db2.gz CAKBQSXBLFEHES-LLVKDONJSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)NC[C@H]1CCCO1 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GFJFICCIXAJAIV-GOSISDBHSA-N -1 3 382.428 0.786 20 0 GCADHM Cn1cc([C@@]2(C)CN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822669109 606757796 /nfs/dbraw/zinc/75/77/96/606757796.db2.gz GFJFICCIXAJAIV-GOSISDBHSA-N -1 3 382.428 0.786 20 0 GCADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821681822 606760469 /nfs/dbraw/zinc/76/04/69/606760469.db2.gz SJBXYQPLQISCRC-SSDOTTSWSA-N -1 3 398.326 0.162 20 0 GCADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821681822 606760471 /nfs/dbraw/zinc/76/04/71/606760471.db2.gz SJBXYQPLQISCRC-SSDOTTSWSA-N -1 3 398.326 0.162 20 0 GCADHM O=C(OCCOc1c(-c2nnn[n-]2)cnc2ccccc21)[C@@H]1CCNC(=O)C1 ZINC000823520782 606760551 /nfs/dbraw/zinc/76/05/51/606760551.db2.gz NPGIQXBXXIXRSS-LLVKDONJSA-N -1 3 382.380 0.863 20 0 GCADHM O=C(OCCOc1c(-c2nn[n-]n2)cnc2ccccc21)[C@@H]1CCNC(=O)C1 ZINC000823520782 606760553 /nfs/dbraw/zinc/76/05/53/606760553.db2.gz NPGIQXBXXIXRSS-LLVKDONJSA-N -1 3 382.380 0.863 20 0 GCADHM COc1cc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)ccc1O ZINC000821703236 606761581 /nfs/dbraw/zinc/76/15/81/606761581.db2.gz VSBOMQXPQRPKEH-UHFFFAOYSA-N -1 3 381.396 0.938 20 0 GCADHM COc1cc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)ccc1O ZINC000821703236 606761584 /nfs/dbraw/zinc/76/15/84/606761584.db2.gz VSBOMQXPQRPKEH-UHFFFAOYSA-N -1 3 381.396 0.938 20 0 GCADHM Cc1nn(-c2ccccc2)c(COC(=O)[C@H]2CCNC(=O)C2)c1-c1nnn[n-]1 ZINC000822486351 606761623 /nfs/dbraw/zinc/76/16/23/606761623.db2.gz HJISQXPDKQYTIA-LBPRGKRZSA-N -1 3 381.396 0.930 20 0 GCADHM C[C@H](OC(=O)[C@@H]1CCNC(=O)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820488938 606762129 /nfs/dbraw/zinc/76/21/29/606762129.db2.gz XBJVUVAAUATKLG-DTWKUNHWSA-N -1 3 392.803 0.917 20 0 GCADHM C[C@H](OC(=O)[C@@H]1CCNC(=O)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820488938 606762131 /nfs/dbraw/zinc/76/21/31/606762131.db2.gz XBJVUVAAUATKLG-DTWKUNHWSA-N -1 3 392.803 0.917 20 0 GCADHM O=S(=O)(CCN1CCO[C@@H]([C@H]2CCCO2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562943 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COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000821755242 606767832 /nfs/dbraw/zinc/76/78/32/606767832.db2.gz CCRMPLRHCAUWIT-BZPMIXESSA-N -1 3 386.412 0.888 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000821755242 606767834 /nfs/dbraw/zinc/76/78/34/606767834.db2.gz CCRMPLRHCAUWIT-BZPMIXESSA-N -1 3 386.412 0.888 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821933161 606768683 /nfs/dbraw/zinc/76/86/83/606768683.db2.gz WFNPJCQWZWMOAO-WCQYABFASA-N -1 3 379.446 0.706 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821933161 606768684 /nfs/dbraw/zinc/76/86/84/606768684.db2.gz WFNPJCQWZWMOAO-WCQYABFASA-N -1 3 379.446 0.706 20 0 GCADHM NC(=O)COCCNC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000822869275 606774082 /nfs/dbraw/zinc/77/40/82/606774082.db2.gz SVRMQUOYYFEQLL-UHFFFAOYSA-N -1 3 386.368 0.270 20 0 GCADHM NC(=O)COCCNC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000822869275 606774084 /nfs/dbraw/zinc/77/40/84/606774084.db2.gz SVRMQUOYYFEQLL-UHFFFAOYSA-N -1 3 386.368 0.270 20 0 GCADHM O=C(NCCn1ncnn1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823229480 606774555 /nfs/dbraw/zinc/77/45/55/606774555.db2.gz UITYSZVMCPPFED-UHFFFAOYSA-N -1 3 391.395 0.862 20 0 GCADHM O=C(NCCn1ncnn1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823229480 606774557 /nfs/dbraw/zinc/77/45/57/606774557.db2.gz UITYSZVMCPPFED-UHFFFAOYSA-N -1 3 391.395 0.862 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000819877154 606775245 /nfs/dbraw/zinc/77/52/45/606775245.db2.gz PVHNIHIQUUKHPX-LLVKDONJSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000819877154 606775248 /nfs/dbraw/zinc/77/52/48/606775248.db2.gz PVHNIHIQUUKHPX-LLVKDONJSA-N -1 3 378.458 0.703 20 0 GCADHM CC1(C)CN(CCC(=O)Nc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000820601346 606775299 /nfs/dbraw/zinc/77/52/99/606775299.db2.gz IVGIOPJVMUMULW-UHFFFAOYSA-N -1 3 378.458 0.704 20 0 GCADHM CC1(C)CN(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000820601346 606775301 /nfs/dbraw/zinc/77/53/01/606775301.db2.gz IVGIOPJVMUMULW-UHFFFAOYSA-N -1 3 378.458 0.704 20 0 GCADHM Cc1sc(NC(=O)CN2CCS(=O)(=O)C(C)(C)C2)c(-c2nnn[n-]2)c1C ZINC000822563986 606776572 /nfs/dbraw/zinc/77/65/72/606776572.db2.gz SZRCEQSTNXEZKZ-UHFFFAOYSA-N -1 3 398.514 0.993 20 0 GCADHM Cc1sc(NC(=O)CN2CCS(=O)(=O)C(C)(C)C2)c(-c2nn[n-]n2)c1C ZINC000822563986 606776575 /nfs/dbraw/zinc/77/65/75/606776575.db2.gz SZRCEQSTNXEZKZ-UHFFFAOYSA-N -1 3 398.514 0.993 20 0 GCADHM O=C1[C@H](N2CCC(OCCCO)CC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503889 606776854 /nfs/dbraw/zinc/77/68/54/606776854.db2.gz KALDTMYZFROPCN-CQSZACIVSA-N -1 3 392.485 0.897 20 0 GCADHM O=C1[C@H](N2CCC(OCCCO)CC2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503889 606776855 /nfs/dbraw/zinc/77/68/55/606776855.db2.gz KALDTMYZFROPCN-CQSZACIVSA-N -1 3 392.485 0.897 20 0 GCADHM O=C1[C@@H](N2CCC(OCCCO)CC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503888 606776858 /nfs/dbraw/zinc/77/68/58/606776858.db2.gz KALDTMYZFROPCN-AWEZNQCLSA-N -1 3 392.485 0.897 20 0 GCADHM O=C1[C@@H](N2CCC(OCCCO)CC2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503888 606776859 /nfs/dbraw/zinc/77/68/59/606776859.db2.gz KALDTMYZFROPCN-AWEZNQCLSA-N -1 3 392.485 0.897 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823201194 606789903 /nfs/dbraw/zinc/78/99/03/606789903.db2.gz CMLHCKFYYOVZON-KGLIPLIRSA-N -1 3 388.432 0.263 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823201194 606789905 /nfs/dbraw/zinc/78/99/05/606789905.db2.gz CMLHCKFYYOVZON-KGLIPLIRSA-N -1 3 388.432 0.263 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)cn1C ZINC000821635234 606793058 /nfs/dbraw/zinc/79/30/58/606793058.db2.gz SCUKRJVTNWCJJB-UHFFFAOYSA-N -1 3 396.816 0.986 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)cn1C ZINC000821635234 606793059 /nfs/dbraw/zinc/79/30/59/606793059.db2.gz SCUKRJVTNWCJJB-UHFFFAOYSA-N -1 3 396.816 0.986 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)cn1 ZINC000821663579 606793146 /nfs/dbraw/zinc/79/31/46/606793146.db2.gz FAANGJFWCOESRP-UHFFFAOYSA-N -1 3 398.788 0.657 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)cn1 ZINC000821663579 606793148 /nfs/dbraw/zinc/79/31/48/606793148.db2.gz FAANGJFWCOESRP-UHFFFAOYSA-N -1 3 398.788 0.657 20 0 GCADHM Cc1nccn1CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822478405 606796554 /nfs/dbraw/zinc/79/65/54/606796554.db2.gz RPOZCDQMFFDPAD-LBPRGKRZSA-N -1 3 397.447 0.082 20 0 GCADHM Cc1nccn1CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822478405 606796556 /nfs/dbraw/zinc/79/65/56/606796556.db2.gz RPOZCDQMFFDPAD-LBPRGKRZSA-N -1 3 397.447 0.082 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000823191904 606798294 /nfs/dbraw/zinc/79/82/94/606798294.db2.gz ROZZVNFCXUPOAT-GFCCVEGCSA-N -1 3 376.421 0.168 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000823191904 606798295 /nfs/dbraw/zinc/79/82/95/606798295.db2.gz ROZZVNFCXUPOAT-GFCCVEGCSA-N -1 3 376.421 0.168 20 0 GCADHM CCc1n[nH]c(=O)c(CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1CC ZINC000821505010 606809803 /nfs/dbraw/zinc/80/98/03/606809803.db2.gz OKXBXDYNGOFZRV-UHFFFAOYSA-N -1 3 389.441 0.966 20 0 GCADHM CCc1n[nH]c(=O)c(CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1CC ZINC000821505010 606809804 /nfs/dbraw/zinc/80/98/04/606809804.db2.gz OKXBXDYNGOFZRV-UHFFFAOYSA-N -1 3 389.441 0.966 20 0 GCADHM C[C@@](CO)(NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC000820280260 606810561 /nfs/dbraw/zinc/81/05/61/606810561.db2.gz CDZPXQKKFYHGGR-SFHVURJKSA-N -1 3 386.460 0.691 20 0 GCADHM C[C@@](CO)(NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC000820280260 606810562 /nfs/dbraw/zinc/81/05/62/606810562.db2.gz CDZPXQKKFYHGGR-SFHVURJKSA-N -1 3 386.460 0.691 20 0 GCADHM O=C(N[C@@H]1CC[S@@](=O)C1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823154459 606811749 /nfs/dbraw/zinc/81/17/49/606811749.db2.gz BSXFANLCVZORCU-PFUSGODGSA-N -1 3 389.485 0.609 20 0 GCADHM O=C(N[C@@H]1CC[S@@](=O)C1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823154459 606811751 /nfs/dbraw/zinc/81/17/51/606811751.db2.gz BSXFANLCVZORCU-PFUSGODGSA-N -1 3 389.485 0.609 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@]1(CCO)CCOC1 ZINC000823210656 606812050 /nfs/dbraw/zinc/81/20/50/606812050.db2.gz DAWMYUPBNAQTEA-KRWDZBQOSA-N -1 3 376.417 0.334 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCc1ccn2ccnc2c1 ZINC000823206129 606812121 /nfs/dbraw/zinc/81/21/21/606812121.db2.gz KTPIWKRHRZCZDA-UHFFFAOYSA-N -1 3 378.400 0.821 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCc1ccn2ccnc2c1 ZINC000823206129 606812123 /nfs/dbraw/zinc/81/21/23/606812123.db2.gz KTPIWKRHRZCZDA-UHFFFAOYSA-N -1 3 378.400 0.821 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820838551 606813882 /nfs/dbraw/zinc/81/38/82/606813882.db2.gz VTIYKAXKJJYXRR-ZBFHGGJFSA-N -1 3 383.456 0.963 20 0 GCADHM COC[C@](C)(NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000821680710 606814235 /nfs/dbraw/zinc/81/42/35/606814235.db2.gz RKQMYKWYMJZODF-INIZCTEOSA-N -1 3 379.442 0.794 20 0 GCADHM COC[C@](C)(NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000821680710 606814237 /nfs/dbraw/zinc/81/42/37/606814237.db2.gz RKQMYKWYMJZODF-INIZCTEOSA-N -1 3 379.442 0.794 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000823246591 606814844 /nfs/dbraw/zinc/81/48/44/606814844.db2.gz WMKANIDBAXBXNH-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000823246591 606814845 /nfs/dbraw/zinc/81/48/45/606814845.db2.gz WMKANIDBAXBXNH-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820837895 606817008 /nfs/dbraw/zinc/81/70/08/606817008.db2.gz NTZCGGDASIJHRY-SNVBAGLBSA-N -1 3 391.819 0.586 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820837895 606817009 /nfs/dbraw/zinc/81/70/09/606817009.db2.gz NTZCGGDASIJHRY-SNVBAGLBSA-N -1 3 391.819 0.586 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821638809 606817074 /nfs/dbraw/zinc/81/70/74/606817074.db2.gz IMPRPCKYQYIYGU-UHFFFAOYSA-N -1 3 384.400 0.564 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821638809 606817076 /nfs/dbraw/zinc/81/70/76/606817076.db2.gz IMPRPCKYQYIYGU-UHFFFAOYSA-N -1 3 384.400 0.564 20 0 GCADHM COc1ccccc1N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)cn2C)C1=O ZINC000821898755 606817118 /nfs/dbraw/zinc/81/71/18/606817118.db2.gz RLIFFNOIFGOLFM-GFCCVEGCSA-N -1 3 381.396 0.749 20 0 GCADHM COc1ccccc1N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)cn2C)C1=O ZINC000821898755 606817120 /nfs/dbraw/zinc/81/71/20/606817120.db2.gz RLIFFNOIFGOLFM-GFCCVEGCSA-N -1 3 381.396 0.749 20 0 GCADHM COc1ccc(C[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1O ZINC000821790405 606817289 /nfs/dbraw/zinc/81/72/89/606817289.db2.gz NHBHUJWLRXIJAF-LBPRGKRZSA-N -1 3 384.396 0.557 20 0 GCADHM COc1ccc(C[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1O ZINC000821790405 606817292 /nfs/dbraw/zinc/81/72/92/606817292.db2.gz NHBHUJWLRXIJAF-LBPRGKRZSA-N -1 3 384.396 0.557 20 0 GCADHM O=C(NC[C@@]1(CCO)CCOC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823166975 606817612 /nfs/dbraw/zinc/81/76/12/606817612.db2.gz VIXSLUOBXLNNDV-MRXNPFEDSA-N -1 3 394.819 0.364 20 0 GCADHM O=C(NC[C@@]1(CCO)CCOC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823166975 606817614 /nfs/dbraw/zinc/81/76/14/606817614.db2.gz VIXSLUOBXLNNDV-MRXNPFEDSA-N -1 3 394.819 0.364 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000820524868 606817669 /nfs/dbraw/zinc/81/76/69/606817669.db2.gz BJGOMEQXOCJAQU-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM CC1(C)CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000820601686 606817764 /nfs/dbraw/zinc/81/77/64/606817764.db2.gz RTKYQCPAVOKDNJ-UHFFFAOYSA-N -1 3 381.483 0.994 20 0 GCADHM CC1(C)CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820601686 606817766 /nfs/dbraw/zinc/81/77/66/606817766.db2.gz RTKYQCPAVOKDNJ-UHFFFAOYSA-N -1 3 381.483 0.994 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000820541534 606818098 /nfs/dbraw/zinc/81/80/98/606818098.db2.gz GRIDEZNWXHNTEV-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000820541534 606818100 /nfs/dbraw/zinc/81/81/00/606818100.db2.gz GRIDEZNWXHNTEV-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000820524867 606818105 /nfs/dbraw/zinc/81/81/05/606818105.db2.gz BJGOMEQXOCJAQU-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821660389 606822366 /nfs/dbraw/zinc/82/23/66/606822366.db2.gz PJEQLACOIJGFAX-CYBMUJFWSA-N -1 3 376.442 0.786 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821660389 606822367 /nfs/dbraw/zinc/82/23/67/606822367.db2.gz PJEQLACOIJGFAX-CYBMUJFWSA-N -1 3 376.442 0.786 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCCCC1 ZINC000820329281 606827659 /nfs/dbraw/zinc/82/76/59/606827659.db2.gz UPYYCCAKXCOEIW-NSHDSACASA-N -1 3 375.408 0.935 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCCCC1 ZINC000820329281 606827660 /nfs/dbraw/zinc/82/76/60/606827660.db2.gz UPYYCCAKXCOEIW-NSHDSACASA-N -1 3 375.408 0.935 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N(C)C ZINC000820329350 606828032 /nfs/dbraw/zinc/82/80/32/606828032.db2.gz VVXPOWOGDKOOQM-QMMMGPOBSA-N -1 3 385.350 0.890 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N(C)C ZINC000820329350 606828034 /nfs/dbraw/zinc/82/80/34/606828034.db2.gz VVXPOWOGDKOOQM-QMMMGPOBSA-N -1 3 385.350 0.890 20 0 GCADHM Cc1nccn1CCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822477304 606832115 /nfs/dbraw/zinc/83/21/15/606832115.db2.gz KWZHPVUJFSBEBE-CYBMUJFWSA-N -1 3 396.459 0.679 20 0 GCADHM Cc1nccn1CCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822477304 606832116 /nfs/dbraw/zinc/83/21/16/606832116.db2.gz KWZHPVUJFSBEBE-CYBMUJFWSA-N -1 3 396.459 0.679 20 0 GCADHM C[C@H](O)c1cn(CC(=O)NCCSCc2ccccc2-c2nnn[n-]2)nn1 ZINC000820481483 606832699 /nfs/dbraw/zinc/83/26/99/606832699.db2.gz WBGLJHYLYUPELL-NSHDSACASA-N -1 3 388.457 0.561 20 0 GCADHM C[C@H](O)c1cn(CC(=O)NCCSCc2ccccc2-c2nn[n-]n2)nn1 ZINC000820481483 606832701 /nfs/dbraw/zinc/83/27/01/606832701.db2.gz WBGLJHYLYUPELL-NSHDSACASA-N -1 3 388.457 0.561 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821932011 606835199 /nfs/dbraw/zinc/83/51/99/606835199.db2.gz INGTWKZPVHAESY-RNCFNFMXSA-N -1 3 397.436 0.845 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821932011 606835200 /nfs/dbraw/zinc/83/52/00/606835200.db2.gz INGTWKZPVHAESY-RNCFNFMXSA-N -1 3 397.436 0.845 20 0 GCADHM Cc1nc(C)c(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)s1 ZINC000822432173 606837067 /nfs/dbraw/zinc/83/70/67/606837067.db2.gz ZYJHDMSMRCHRCV-UHFFFAOYSA-N -1 3 387.429 0.502 20 0 GCADHM Cc1nc(C)c(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)s1 ZINC000822432173 606837069 /nfs/dbraw/zinc/83/70/69/606837069.db2.gz ZYJHDMSMRCHRCV-UHFFFAOYSA-N -1 3 387.429 0.502 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823190942 606837777 /nfs/dbraw/zinc/83/77/77/606837777.db2.gz HBBPQTJKHGHDFV-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823190942 606837778 /nfs/dbraw/zinc/83/77/78/606837778.db2.gz HBBPQTJKHGHDFV-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823190894 606837965 /nfs/dbraw/zinc/83/79/65/606837965.db2.gz FYENYYXMJLYQNE-LLVKDONJSA-N -1 3 378.364 0.256 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823190894 606837967 /nfs/dbraw/zinc/83/79/67/606837967.db2.gz FYENYYXMJLYQNE-LLVKDONJSA-N -1 3 378.364 0.256 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000822216041 606838151 /nfs/dbraw/zinc/83/81/51/606838151.db2.gz CQXJUJLWLWPGQX-HUUCEWRRSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000822216041 606838153 /nfs/dbraw/zinc/83/81/53/606838153.db2.gz CQXJUJLWLWPGQX-HUUCEWRRSA-N -1 3 386.412 0.520 20 0 GCADHM CC(C)(C)OC(=O)NCC(C)(C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000819939768 606838445 /nfs/dbraw/zinc/83/84/45/606838445.db2.gz JHSVYAYFKRYXRT-UHFFFAOYSA-N -1 3 394.436 0.740 20 0 GCADHM CC(C)(C)OC(=O)NCC(C)(C)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000819939768 606838446 /nfs/dbraw/zinc/83/84/46/606838446.db2.gz JHSVYAYFKRYXRT-UHFFFAOYSA-N -1 3 394.436 0.740 20 0 GCADHM O=C(Nc1cnn(CCO)c1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823376067 606838921 /nfs/dbraw/zinc/83/89/21/606838921.db2.gz WEFHWTOROUYACB-UHFFFAOYSA-N -1 3 376.764 0.286 20 0 GCADHM O=C(Nc1cnn(CCO)c1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823376067 606838923 /nfs/dbraw/zinc/83/89/23/606838923.db2.gz WEFHWTOROUYACB-UHFFFAOYSA-N -1 3 376.764 0.286 20 0 GCADHM CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821114567 606840285 /nfs/dbraw/zinc/84/02/85/606840285.db2.gz XREGVKXJLUTMPA-UHFFFAOYSA-N -1 3 396.448 0.933 20 0 GCADHM C[C@@H](NC(=O)CSCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC000820335446 606840362 /nfs/dbraw/zinc/84/03/62/606840362.db2.gz YLDQIDXHSUMYIR-GFCCVEGCSA-N -1 3 392.485 0.962 20 0 GCADHM C[C@@H](NC(=O)CSCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC000820335446 606840363 /nfs/dbraw/zinc/84/03/63/606840363.db2.gz YLDQIDXHSUMYIR-GFCCVEGCSA-N -1 3 392.485 0.962 20 0 GCADHM CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821335075 606842184 /nfs/dbraw/zinc/84/21/84/606842184.db2.gz XGTSHWVFYVJNNK-NSHDSACASA-N -1 3 398.420 0.905 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820012084 606843482 /nfs/dbraw/zinc/84/34/82/606843482.db2.gz UIMKIIBUFLHEEP-LBPRGKRZSA-N -1 3 396.448 0.931 20 0 GCADHM COCCOC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821692304 606843858 /nfs/dbraw/zinc/84/38/58/606843858.db2.gz UMCZYUUITIQOAR-UHFFFAOYSA-N -1 3 385.421 0.822 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821597947 606845285 /nfs/dbraw/zinc/84/52/85/606845285.db2.gz LYEGQBXZIMRPRW-VIFPVBQESA-N -1 3 389.434 0.061 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN(C2CCOCC2)CC1 ZINC000823606900 606845793 /nfs/dbraw/zinc/84/57/93/606845793.db2.gz PACWVLAVFJNSLJ-UHFFFAOYSA-N -1 3 396.448 0.491 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(C2CCOCC2)CC1 ZINC000823606900 606845794 /nfs/dbraw/zinc/84/57/94/606845794.db2.gz PACWVLAVFJNSLJ-UHFFFAOYSA-N -1 3 396.448 0.491 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000822222385 606846963 /nfs/dbraw/zinc/84/69/63/606846963.db2.gz FIVJYEZFFFDLPB-KGLIPLIRSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000822222385 606846965 /nfs/dbraw/zinc/84/69/65/606846965.db2.gz FIVJYEZFFFDLPB-KGLIPLIRSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000822146805 606847023 /nfs/dbraw/zinc/84/70/23/606847023.db2.gz ZTMLTAYISHOUES-UONOGXRCSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000822146805 606847024 /nfs/dbraw/zinc/84/70/24/606847024.db2.gz ZTMLTAYISHOUES-UONOGXRCSA-N -1 3 379.442 0.744 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823601224 606847302 /nfs/dbraw/zinc/84/73/02/606847302.db2.gz WZRUEWILXKCNFT-UONOGXRCSA-N -1 3 383.405 0.574 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820734350 606848119 /nfs/dbraw/zinc/84/81/19/606848119.db2.gz LXEOCNXVMAZXLM-ABAIWWIYSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820734350 606848121 /nfs/dbraw/zinc/84/81/21/606848121.db2.gz LXEOCNXVMAZXLM-ABAIWWIYSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819857309 606850081 /nfs/dbraw/zinc/85/00/81/606850081.db2.gz QXNSZJPENDMKOZ-CXAGYDPISA-N -1 3 385.472 0.185 20 0 GCADHM Cn1cccc1C(=O)N1CCN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822688930 606854766 /nfs/dbraw/zinc/85/47/66/606854766.db2.gz DZNLYJBJVOKRPQ-KRWDZBQOSA-N -1 3 381.440 0.697 20 0 GCADHM Cn1cccc1C(=O)N1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822688930 606854767 /nfs/dbraw/zinc/85/47/67/606854767.db2.gz DZNLYJBJVOKRPQ-KRWDZBQOSA-N -1 3 381.440 0.697 20 0 GCADHM COCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696584 606863119 /nfs/dbraw/zinc/86/31/19/606863119.db2.gz IQWXIFPIGJUWFH-BBRMVZONSA-N -1 3 398.427 0.423 20 0 GCADHM COCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696584 606863121 /nfs/dbraw/zinc/86/31/21/606863121.db2.gz IQWXIFPIGJUWFH-BBRMVZONSA-N -1 3 398.427 0.423 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696517 606863161 /nfs/dbraw/zinc/86/31/61/606863161.db2.gz GNMGOLRRPCPECC-ZDUSSCGKSA-N -1 3 383.416 0.419 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696517 606863162 /nfs/dbraw/zinc/86/31/62/606863162.db2.gz GNMGOLRRPCPECC-ZDUSSCGKSA-N -1 3 383.416 0.419 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCc1ccc2c(c1)CCS2(=O)=O ZINC000823044593 606871605 /nfs/dbraw/zinc/87/16/05/606871605.db2.gz WJNITLCPWIKEOJ-UHFFFAOYSA-N -1 3 399.432 0.892 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCc1ccc2c(c1)CCS2(=O)=O ZINC000823044593 606871606 /nfs/dbraw/zinc/87/16/06/606871606.db2.gz WJNITLCPWIKEOJ-UHFFFAOYSA-N -1 3 399.432 0.892 20 0 GCADHM CC(C)NC(=O)CN1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820134366 606882734 /nfs/dbraw/zinc/88/27/34/606882734.db2.gz ZOSNPAJTLBBSNH-UHFFFAOYSA-N -1 3 387.488 0.778 20 0 GCADHM CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000819803615 606885196 /nfs/dbraw/zinc/88/51/96/606885196.db2.gz NXQYBKNHZKGEQX-SNVBAGLBSA-N -1 3 386.384 0.434 20 0 GCADHM CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000819803615 606885197 /nfs/dbraw/zinc/88/51/97/606885197.db2.gz NXQYBKNHZKGEQX-SNVBAGLBSA-N -1 3 386.384 0.434 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823144348 606885473 /nfs/dbraw/zinc/88/54/73/606885473.db2.gz FEPRSJYIPZWAGI-UHFFFAOYSA-N -1 3 399.455 0.058 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823144348 606885474 /nfs/dbraw/zinc/88/54/74/606885474.db2.gz FEPRSJYIPZWAGI-UHFFFAOYSA-N -1 3 399.455 0.058 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823146891 606885512 /nfs/dbraw/zinc/88/55/12/606885512.db2.gz ZNMKHUKCUUPAIP-GFCCVEGCSA-N -1 3 398.395 0.577 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823146891 606885514 /nfs/dbraw/zinc/88/55/14/606885514.db2.gz ZNMKHUKCUUPAIP-GFCCVEGCSA-N -1 3 398.395 0.577 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820294079 606889597 /nfs/dbraw/zinc/88/95/97/606889597.db2.gz QQRATQMCJMAOEW-ZETCQYMHSA-N -1 3 395.413 0.199 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820294079 606889599 /nfs/dbraw/zinc/88/95/99/606889599.db2.gz QQRATQMCJMAOEW-ZETCQYMHSA-N -1 3 395.413 0.199 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820642073 606891406 /nfs/dbraw/zinc/89/14/06/606891406.db2.gz GOWXYGGXXQSRRL-YPWIYICBSA-N -1 3 391.425 0.675 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820642073 606891408 /nfs/dbraw/zinc/89/14/08/606891408.db2.gz GOWXYGGXXQSRRL-YPWIYICBSA-N -1 3 391.425 0.675 20 0 GCADHM CCS(=O)(=O)N1CCN(CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821440705 606891940 /nfs/dbraw/zinc/89/19/40/606891940.db2.gz APVGSSIZFHRHHM-UHFFFAOYSA-N -1 3 380.474 0.603 20 0 GCADHM CCS(=O)(=O)N1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821440705 606891941 /nfs/dbraw/zinc/89/19/41/606891941.db2.gz APVGSSIZFHRHHM-UHFFFAOYSA-N -1 3 380.474 0.603 20 0 GCADHM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821653818 606894224 /nfs/dbraw/zinc/89/42/24/606894224.db2.gz MAMUCPUKMABTLJ-CYBMUJFWSA-N -1 3 391.331 0.421 20 0 GCADHM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821653818 606894226 /nfs/dbraw/zinc/89/42/26/606894226.db2.gz MAMUCPUKMABTLJ-CYBMUJFWSA-N -1 3 391.331 0.421 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC000821657896 606895354 /nfs/dbraw/zinc/89/53/54/606895354.db2.gz YKYBJQABFVWTMH-VXNVDRBHSA-N -1 3 387.368 0.575 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC000821657896 606895356 /nfs/dbraw/zinc/89/53/56/606895356.db2.gz YKYBJQABFVWTMH-VXNVDRBHSA-N -1 3 387.368 0.575 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696860 606904472 /nfs/dbraw/zinc/90/44/72/606904472.db2.gz RUEFPMDYRDONRI-DGCLKSJQSA-N -1 3 398.427 0.503 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(-c3nnn[n-]3)ccc1OC)CC2 ZINC000821696905 606906743 /nfs/dbraw/zinc/90/67/43/606906743.db2.gz UAUQDHCKGQJBHV-NSHDSACASA-N -1 3 399.415 0.750 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)Nc1cc(-c3nn[n-]n3)ccc1OC)CC2 ZINC000821696905 606906744 /nfs/dbraw/zinc/90/67/44/606906744.db2.gz UAUQDHCKGQJBHV-NSHDSACASA-N -1 3 399.415 0.750 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823488704 606907545 /nfs/dbraw/zinc/90/75/45/606907545.db2.gz SMMQHPIIPZVFDL-UHFFFAOYSA-N -1 3 391.395 0.988 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823488704 606907546 /nfs/dbraw/zinc/90/75/46/606907546.db2.gz SMMQHPIIPZVFDL-UHFFFAOYSA-N -1 3 391.395 0.988 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000821696729 606907724 /nfs/dbraw/zinc/90/77/24/606907724.db2.gz NWIUNNDIDVEVIT-JTQLQIEISA-N -1 3 387.379 0.880 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000821696729 606907725 /nfs/dbraw/zinc/90/77/25/606907725.db2.gz NWIUNNDIDVEVIT-JTQLQIEISA-N -1 3 387.379 0.880 20 0 GCADHM CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821529537 606909214 /nfs/dbraw/zinc/90/92/14/606909214.db2.gz WREMOOHATHFBBB-UHFFFAOYSA-N -1 3 399.503 0.526 20 0 GCADHM CCc1nnc(N2CCN(CC(=O)N3CCCC3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821529537 606909215 /nfs/dbraw/zinc/90/92/15/606909215.db2.gz WREMOOHATHFBBB-UHFFFAOYSA-N -1 3 399.503 0.526 20 0 GCADHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O ZINC000820628391 606912652 /nfs/dbraw/zinc/91/26/52/606912652.db2.gz BFWCDIOGLUEYHL-GOSISDBHSA-N -1 3 395.379 0.543 20 0 GCADHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)NCc2ccco2)C1=O ZINC000820628391 606912653 /nfs/dbraw/zinc/91/26/53/606912653.db2.gz BFWCDIOGLUEYHL-GOSISDBHSA-N -1 3 395.379 0.543 20 0 GCADHM CC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC000819796434 606913158 /nfs/dbraw/zinc/91/31/58/606913158.db2.gz IKIYCZPOLFNIDY-GFCCVEGCSA-N -1 3 378.458 0.193 20 0 GCADHM CC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000819796434 606913159 /nfs/dbraw/zinc/91/31/59/606913159.db2.gz IKIYCZPOLFNIDY-GFCCVEGCSA-N -1 3 378.458 0.193 20 0 GCADHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000820628362 606913977 /nfs/dbraw/zinc/91/39/77/606913977.db2.gz AIZHFFAMXPTTKQ-GOSISDBHSA-N -1 3 383.412 0.646 20 0 GCADHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)N2CCCCC2)C1=O ZINC000820628362 606913978 /nfs/dbraw/zinc/91/39/78/606913978.db2.gz AIZHFFAMXPTTKQ-GOSISDBHSA-N -1 3 383.412 0.646 20 0 GCADHM O=S(=O)(CCN(CCO)Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823561198 606914173 /nfs/dbraw/zinc/91/41/73/606914173.db2.gz BASGOZCIQIOBLJ-UHFFFAOYSA-N -1 3 388.453 0.530 20 0 GCADHM O=S(=O)(CCN(CCO)Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823561198 606914175 /nfs/dbraw/zinc/91/41/75/606914175.db2.gz BASGOZCIQIOBLJ-UHFFFAOYSA-N -1 3 388.453 0.530 20 0 GCADHM Cc1nn(C)c2c1N(S(=O)(=O)Cc1cccc(-c3nnn[n-]3)c1)CCO2 ZINC000822496364 606914722 /nfs/dbraw/zinc/91/47/22/606914722.db2.gz KOWWFCPBJGQQFC-UHFFFAOYSA-N -1 3 375.414 0.637 20 0 GCADHM Cc1nn(C)c2c1N(S(=O)(=O)Cc1cccc(-c3nn[n-]n3)c1)CCO2 ZINC000822496364 606914723 /nfs/dbraw/zinc/91/47/23/606914723.db2.gz KOWWFCPBJGQQFC-UHFFFAOYSA-N -1 3 375.414 0.637 20 0 GCADHM CCc1nnc(N[C@@H]2CCCN(S(C)(=O)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821527436 606923748 /nfs/dbraw/zinc/92/37/48/606923748.db2.gz FFGNQHCYYACYEB-SNVBAGLBSA-N -1 3 380.478 0.617 20 0 GCADHM CCc1nnc(N[C@@H]2CCCN(S(C)(=O)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821527436 606923749 /nfs/dbraw/zinc/92/37/49/606923749.db2.gz FFGNQHCYYACYEB-SNVBAGLBSA-N -1 3 380.478 0.617 20 0 GCADHM CCOC(=O)C1(O)CCN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)CC1 ZINC000821319832 606936332 /nfs/dbraw/zinc/93/63/32/606936332.db2.gz HMVJMKUISRXQNO-UHFFFAOYSA-N -1 3 375.433 0.676 20 0 GCADHM CCOC(=O)C1(O)CCN(c2nnc(CC)c(CC)c2-c2nn[n-]n2)CC1 ZINC000821319832 606936334 /nfs/dbraw/zinc/93/63/34/606936334.db2.gz HMVJMKUISRXQNO-UHFFFAOYSA-N -1 3 375.433 0.676 20 0 GCADHM CC1(C)NC(=O)N(CC(=O)OCCCOc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000820607175 606941391 /nfs/dbraw/zinc/94/13/91/606941391.db2.gz LJINKUGOPJCVPG-UHFFFAOYSA-N -1 3 388.384 0.509 20 0 GCADHM CC1(C)NC(=O)N(CC(=O)OCCCOc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000820607175 606941392 /nfs/dbraw/zinc/94/13/92/606941392.db2.gz LJINKUGOPJCVPG-UHFFFAOYSA-N -1 3 388.384 0.509 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000820032698 606943078 /nfs/dbraw/zinc/94/30/78/606943078.db2.gz PRRYYWKGJNZWQV-DOMZBBRYSA-N -1 3 386.412 0.933 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000820032698 606943079 /nfs/dbraw/zinc/94/30/79/606943079.db2.gz PRRYYWKGJNZWQV-DOMZBBRYSA-N -1 3 386.412 0.933 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@H]2N1 ZINC000823536195 606943732 /nfs/dbraw/zinc/94/37/32/606943732.db2.gz VHGKODWSKPMBPI-CHWSQXEVSA-N -1 3 380.405 0.438 20 0 GCADHM COC(=O)C[C@H](C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821657845 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/nfs/dbraw/zinc/01/13/72/607011372.db2.gz VIVXINVTHMXMBX-VIFPVBQESA-N -1 3 391.413 0.777 20 0 GCADHM Cc1noc(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822523815 607011374 /nfs/dbraw/zinc/01/13/74/607011374.db2.gz VIVXINVTHMXMBX-VIFPVBQESA-N -1 3 391.413 0.777 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CCOCC1 ZINC000820450686 607017261 /nfs/dbraw/zinc/01/72/61/607017261.db2.gz ONZUMBGOCLGNTQ-NSHDSACASA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CCOCC1 ZINC000820450686 607017262 /nfs/dbraw/zinc/01/72/62/607017262.db2.gz ONZUMBGOCLGNTQ-NSHDSACASA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N=c1sccn1C ZINC000820438210 607018007 /nfs/dbraw/zinc/01/80/07/607018007.db2.gz KQYTXYQOBDGEPD-SECBINFHSA-N -1 3 393.454 0.061 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N=c1sccn1C ZINC000820438210 607018009 /nfs/dbraw/zinc/01/80/09/607018009.db2.gz KQYTXYQOBDGEPD-SECBINFHSA-N -1 3 393.454 0.061 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N=c1sccn1C ZINC000820438211 607018261 /nfs/dbraw/zinc/01/82/61/607018261.db2.gz KQYTXYQOBDGEPD-VIFPVBQESA-N -1 3 393.454 0.061 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N=c1sccn1C ZINC000820438211 607018263 /nfs/dbraw/zinc/01/82/63/607018263.db2.gz KQYTXYQOBDGEPD-VIFPVBQESA-N -1 3 393.454 0.061 20 0 GCADHM Nc1n[nH]c(CCCNc2ccc(C(=O)NC3CCCC3)nn2)c1-c1nnn[n-]1 ZINC000822899529 607019166 /nfs/dbraw/zinc/01/91/66/607019166.db2.gz KAACYCLDJNFUDW-UHFFFAOYSA-N -1 3 397.447 0.679 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCSCC1 ZINC000820438083 607019952 /nfs/dbraw/zinc/01/99/52/607019952.db2.gz IGNANVNVPBRWCQ-SNVBAGLBSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCSCC1 ZINC000820438083 607019953 /nfs/dbraw/zinc/01/99/53/607019953.db2.gz IGNANVNVPBRWCQ-SNVBAGLBSA-N -1 3 396.498 0.545 20 0 GCADHM COCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821685764 607020707 /nfs/dbraw/zinc/02/07/07/607020707.db2.gz OWGNLAWUESTZBF-QWRGUYRKSA-N -1 3 382.446 0.075 20 0 GCADHM COCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821685764 607020708 /nfs/dbraw/zinc/02/07/08/607020708.db2.gz OWGNLAWUESTZBF-QWRGUYRKSA-N -1 3 382.446 0.075 20 0 GCADHM COCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821685763 607020916 /nfs/dbraw/zinc/02/09/16/607020916.db2.gz OWGNLAWUESTZBF-MNOVXSKESA-N -1 3 382.446 0.075 20 0 GCADHM COCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821685763 607020918 /nfs/dbraw/zinc/02/09/18/607020918.db2.gz OWGNLAWUESTZBF-MNOVXSKESA-N -1 3 382.446 0.075 20 0 GCADHM COCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821685923 607021092 /nfs/dbraw/zinc/02/10/92/607021092.db2.gz VBNLEFBOMAISNB-WDEREUQCSA-N -1 3 382.446 0.075 20 0 GCADHM COCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821685923 607021094 /nfs/dbraw/zinc/02/10/94/607021094.db2.gz VBNLEFBOMAISNB-WDEREUQCSA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821679859 607021564 /nfs/dbraw/zinc/02/15/64/607021564.db2.gz OZTAUJXEXUYKLQ-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821679859 607021565 /nfs/dbraw/zinc/02/15/65/607021565.db2.gz OZTAUJXEXUYKLQ-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCN1C(=O)CCC1=O ZINC000819997767 607021794 /nfs/dbraw/zinc/02/17/94/607021794.db2.gz ZFIKXDCRNYXOQD-UHFFFAOYSA-N -1 3 386.412 0.679 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCN1C(=O)CCC1=O ZINC000819997767 607021796 /nfs/dbraw/zinc/02/17/96/607021796.db2.gz ZFIKXDCRNYXOQD-UHFFFAOYSA-N -1 3 386.412 0.679 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000820438497 607022290 /nfs/dbraw/zinc/02/22/90/607022290.db2.gz QUMVKVKYYKDFRC-MJVIPROJSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@@H]1C ZINC000820438497 607022291 /nfs/dbraw/zinc/02/22/91/607022291.db2.gz QUMVKVKYYKDFRC-MJVIPROJSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000820444620 607022446 /nfs/dbraw/zinc/02/24/46/607022446.db2.gz LEUNIKBSJFXDIY-COPLHBTASA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000820444620 607022448 /nfs/dbraw/zinc/02/24/48/607022448.db2.gz LEUNIKBSJFXDIY-COPLHBTASA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000820444688 607022533 /nfs/dbraw/zinc/02/25/33/607022533.db2.gz LEUNIKBSJFXDIY-UHIISALHSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H]1C ZINC000820444688 607022534 /nfs/dbraw/zinc/02/25/34/607022534.db2.gz LEUNIKBSJFXDIY-UHIISALHSA-N -1 3 378.458 0.838 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCN1C(=O)CNC1=O ZINC000819997679 607023634 /nfs/dbraw/zinc/02/36/34/607023634.db2.gz YZJLLMCDCZXRNX-UHFFFAOYSA-N -1 3 387.400 0.082 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCN1C(=O)CNC1=O ZINC000819997679 607023636 /nfs/dbraw/zinc/02/36/36/607023636.db2.gz YZJLLMCDCZXRNX-UHFFFAOYSA-N -1 3 387.400 0.082 20 0 GCADHM CC(C)(CNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)NS(C)(=O)=O ZINC000819981190 607023744 /nfs/dbraw/zinc/02/37/44/607023744.db2.gz PVDJBCZTTZDICQ-UHFFFAOYSA-N -1 3 396.473 0.468 20 0 GCADHM CC(C)(CNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)NS(C)(=O)=O ZINC000819981190 607023746 /nfs/dbraw/zinc/02/37/46/607023746.db2.gz PVDJBCZTTZDICQ-UHFFFAOYSA-N -1 3 396.473 0.468 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821440819 607030357 /nfs/dbraw/zinc/03/03/57/607030357.db2.gz CUIREHDSJZYCRI-NSHDSACASA-N -1 3 381.458 0.964 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821440819 607030359 /nfs/dbraw/zinc/03/03/59/607030359.db2.gz CUIREHDSJZYCRI-NSHDSACASA-N -1 3 381.458 0.964 20 0 GCADHM CC[C@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821000305 607036581 /nfs/dbraw/zinc/03/65/81/607036581.db2.gz CMORBOHTEZYISI-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821000305 607036582 /nfs/dbraw/zinc/03/65/82/607036582.db2.gz CMORBOHTEZYISI-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000821149272 607039643 /nfs/dbraw/zinc/03/96/43/607039643.db2.gz UTKWSDITBWSNTD-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000821149272 607039644 /nfs/dbraw/zinc/03/96/44/607039644.db2.gz UTKWSDITBWSNTD-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H]2CCC[C@H]21 ZINC000820438777 607041401 /nfs/dbraw/zinc/04/14/01/607041401.db2.gz WNRXUNZNIRHTCQ-ZKYQVNSYSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H]2CCC[C@H]21 ZINC000820438777 607041403 /nfs/dbraw/zinc/04/14/03/607041403.db2.gz WNRXUNZNIRHTCQ-ZKYQVNSYSA-N -1 3 376.442 0.544 20 0 GCADHM CC[C@@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820907709 607041918 /nfs/dbraw/zinc/04/19/18/607041918.db2.gz GAYQNPPCGVPYTR-JQWIXIFHSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820907709 607041919 /nfs/dbraw/zinc/04/19/19/607041919.db2.gz GAYQNPPCGVPYTR-JQWIXIFHSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820907715 607041921 /nfs/dbraw/zinc/04/19/21/607041921.db2.gz GAYQNPPCGVPYTR-ZYHUDNBSSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820907715 607041922 /nfs/dbraw/zinc/04/19/22/607041922.db2.gz GAYQNPPCGVPYTR-ZYHUDNBSSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820909584 607042122 /nfs/dbraw/zinc/04/21/22/607042122.db2.gz XVMGEAWBCAUYNT-CMPLNLGQSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820909584 607042124 /nfs/dbraw/zinc/04/21/24/607042124.db2.gz XVMGEAWBCAUYNT-CMPLNLGQSA-N -1 3 382.446 0.075 20 0 GCADHM CCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000821469706 607042894 /nfs/dbraw/zinc/04/28/94/607042894.db2.gz IEUUCBAVAJIRKT-VIFPVBQESA-N -1 3 391.413 0.723 20 0 GCADHM CCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000821469706 607042895 /nfs/dbraw/zinc/04/28/95/607042895.db2.gz IEUUCBAVAJIRKT-VIFPVBQESA-N -1 3 391.413 0.723 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000820648708 607042935 /nfs/dbraw/zinc/04/29/35/607042935.db2.gz FVOBPQKPQWITHW-IJLUTSLNSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000820648708 607042936 /nfs/dbraw/zinc/04/29/36/607042936.db2.gz FVOBPQKPQWITHW-IJLUTSLNSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C[C@H](C)O ZINC000820473864 607043247 /nfs/dbraw/zinc/04/32/47/607043247.db2.gz MZGCDNQFDSOKBN-WOPDTQHZSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C[C@H](C)O ZINC000820473864 607043249 /nfs/dbraw/zinc/04/32/49/607043249.db2.gz MZGCDNQFDSOKBN-WOPDTQHZSA-N -1 3 396.473 0.057 20 0 GCADHM COC(=O)CCNC(=O)COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000821661784 607043323 /nfs/dbraw/zinc/04/33/23/607043323.db2.gz YKWYYSRQAXCCSR-UHFFFAOYSA-N -1 3 384.190 0.687 20 0 GCADHM COC(=O)CCNC(=O)COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000821661784 607043324 /nfs/dbraw/zinc/04/33/24/607043324.db2.gz YKWYYSRQAXCCSR-UHFFFAOYSA-N -1 3 384.190 0.687 20 0 GCADHM COC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821684662 607043654 /nfs/dbraw/zinc/04/36/54/607043654.db2.gz GWCCBMJEACPUHK-NWDGAFQWSA-N -1 3 394.457 0.028 20 0 GCADHM COC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821684662 607043656 /nfs/dbraw/zinc/04/36/56/607043656.db2.gz GWCCBMJEACPUHK-NWDGAFQWSA-N -1 3 394.457 0.028 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOCCS(C)(=O)=O ZINC000819996514 607044259 /nfs/dbraw/zinc/04/42/59/607044259.db2.gz GNCNMXCPMDUILU-UHFFFAOYSA-N -1 3 397.457 0.202 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOCCS(C)(=O)=O ZINC000819996514 607044260 /nfs/dbraw/zinc/04/42/60/607044260.db2.gz GNCNMXCPMDUILU-UHFFFAOYSA-N -1 3 397.457 0.202 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCOC1 ZINC000820444556 607044322 /nfs/dbraw/zinc/04/43/22/607044322.db2.gz KOZQJSFIRNITAM-MDZLAQPJSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCOC1 ZINC000820444556 607044324 /nfs/dbraw/zinc/04/43/24/607044324.db2.gz KOZQJSFIRNITAM-MDZLAQPJSA-N -1 3 394.457 0.075 20 0 GCADHM COC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821683276 607044788 /nfs/dbraw/zinc/04/47/88/607044788.db2.gz ZYPDBGUSQCRPOC-FZMZJTMJSA-N -1 3 396.473 0.321 20 0 GCADHM COC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821683276 607044790 /nfs/dbraw/zinc/04/47/90/607044790.db2.gz ZYPDBGUSQCRPOC-FZMZJTMJSA-N -1 3 396.473 0.321 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000820437968 607046470 /nfs/dbraw/zinc/04/64/70/607046470.db2.gz FHOKJFRNDBINLP-LEWSCRJBSA-N -1 3 390.469 0.648 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000820437968 607046473 /nfs/dbraw/zinc/04/64/73/607046473.db2.gz FHOKJFRNDBINLP-LEWSCRJBSA-N -1 3 390.469 0.648 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2cc(-c3nnn[n-]3)ccc2C)cn1 ZINC000821663874 607049100 /nfs/dbraw/zinc/04/91/00/607049100.db2.gz RXWOZHNYBBNLAN-UHFFFAOYSA-N -1 3 378.370 0.312 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000821663874 607049101 /nfs/dbraw/zinc/04/91/01/607049101.db2.gz RXWOZHNYBBNLAN-UHFFFAOYSA-N -1 3 378.370 0.312 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccc[nH]1 ZINC000820450158 607049233 /nfs/dbraw/zinc/04/92/33/607049233.db2.gz HMBUKZLULYEUAK-SNVBAGLBSA-N -1 3 375.414 0.178 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccc[nH]1 ZINC000820450158 607049235 /nfs/dbraw/zinc/04/92/35/607049235.db2.gz HMBUKZLULYEUAK-SNVBAGLBSA-N -1 3 375.414 0.178 20 0 GCADHM CCC[C@@H]1C[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821033910 607051677 /nfs/dbraw/zinc/05/16/77/607051677.db2.gz GYDCBMGLVUPVSI-MPKXVKKWSA-N -1 3 378.458 0.838 20 0 GCADHM CCC[C@@H]1C[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821033910 607051678 /nfs/dbraw/zinc/05/16/78/607051678.db2.gz GYDCBMGLVUPVSI-MPKXVKKWSA-N -1 3 378.458 0.838 20 0 GCADHM CCC[C@@H]1C[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821033914 607051710 /nfs/dbraw/zinc/05/17/10/607051710.db2.gz GYDCBMGLVUPVSI-ZKYQVNSYSA-N -1 3 378.458 0.838 20 0 GCADHM CCC[C@@H]1C[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821033914 607051712 /nfs/dbraw/zinc/05/17/12/607051712.db2.gz GYDCBMGLVUPVSI-ZKYQVNSYSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000820438399 607053906 /nfs/dbraw/zinc/05/39/06/607053906.db2.gz OQGJAUMDVQLZDB-WOPDTQHZSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000820438399 607053909 /nfs/dbraw/zinc/05/39/09/607053909.db2.gz OQGJAUMDVQLZDB-WOPDTQHZSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C[C@@H]1CCOC1 ZINC000820438784 607054127 /nfs/dbraw/zinc/05/41/27/607054127.db2.gz WQKDYDMFALIJDB-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@@H]1CCOC1 ZINC000820438784 607054129 /nfs/dbraw/zinc/05/41/29/607054129.db2.gz WQKDYDMFALIJDB-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCCS1(=O)=O ZINC000823215404 607056886 /nfs/dbraw/zinc/05/68/86/607056886.db2.gz MIBYFMCYFGVCHV-CYBMUJFWSA-N -1 3 380.430 0.122 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@]1(C)CCCO1 ZINC000820438160 607060361 /nfs/dbraw/zinc/06/03/61/607060361.db2.gz JOOPUBHFQSALSO-BDJLRTHQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@]1(C)CCCO1 ZINC000820438160 607060362 /nfs/dbraw/zinc/06/03/62/607060362.db2.gz JOOPUBHFQSALSO-BDJLRTHQSA-N -1 3 394.457 0.219 20 0 GCADHM COC(C)(C)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821672486 607062377 /nfs/dbraw/zinc/06/23/77/607062377.db2.gz MJLYNPYRUBGBJG-LLVKDONJSA-N -1 3 396.473 0.417 20 0 GCADHM COC(C)(C)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821672486 607062379 /nfs/dbraw/zinc/06/23/79/607062379.db2.gz MJLYNPYRUBGBJG-LLVKDONJSA-N -1 3 396.473 0.417 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820993751 607063185 /nfs/dbraw/zinc/06/31/85/607063185.db2.gz BFCZKAKHFRBNFU-SMDDNHRTSA-N -1 3 378.458 0.657 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820993751 607063187 /nfs/dbraw/zinc/06/31/87/607063187.db2.gz BFCZKAKHFRBNFU-SMDDNHRTSA-N -1 3 378.458 0.657 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820993748 607063301 /nfs/dbraw/zinc/06/33/01/607063301.db2.gz BFCZKAKHFRBNFU-BXUZGUMPSA-N -1 3 378.458 0.657 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820993748 607063302 /nfs/dbraw/zinc/06/33/02/607063302.db2.gz BFCZKAKHFRBNFU-BXUZGUMPSA-N -1 3 378.458 0.657 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[S@](C)=O ZINC000820240629 607064328 /nfs/dbraw/zinc/06/43/28/607064328.db2.gz CRQOZDNKZSNLMJ-JWNZJDHWSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[S@](C)=O ZINC000820240629 607064329 /nfs/dbraw/zinc/06/43/29/607064329.db2.gz CRQOZDNKZSNLMJ-JWNZJDHWSA-N -1 3 392.489 0.250 20 0 GCADHM COCC1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000821683746 607073186 /nfs/dbraw/zinc/07/31/86/607073186.db2.gz JOFMKEGLKHINID-CYBMUJFWSA-N -1 3 399.411 0.367 20 0 GCADHM COCC1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000821683746 607073187 /nfs/dbraw/zinc/07/31/87/607073187.db2.gz JOFMKEGLKHINID-CYBMUJFWSA-N -1 3 399.411 0.367 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCCO1 ZINC000820451596 607079161 /nfs/dbraw/zinc/07/91/61/607079161.db2.gz WBEHMSXWGMNABI-JQWIXIFHSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCCO1 ZINC000820451596 607079162 /nfs/dbraw/zinc/07/91/62/607079162.db2.gz WBEHMSXWGMNABI-JQWIXIFHSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCCO1 ZINC000820451594 607079265 /nfs/dbraw/zinc/07/92/65/607079265.db2.gz WBEHMSXWGMNABI-CMPLNLGQSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCCO1 ZINC000820451594 607079267 /nfs/dbraw/zinc/07/92/67/607079267.db2.gz WBEHMSXWGMNABI-CMPLNLGQSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cnn(C)c1 ZINC000820444134 607080302 /nfs/dbraw/zinc/08/03/02/607080302.db2.gz GTOFQQZAVDMQLI-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cnn(C)c1 ZINC000820444134 607080305 /nfs/dbraw/zinc/08/03/05/607080305.db2.gz GTOFQQZAVDMQLI-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccoc1 ZINC000820451402 607080909 /nfs/dbraw/zinc/08/09/09/607080909.db2.gz VGVQISVFPCFLQU-JTQLQIEISA-N -1 3 377.382 0.870 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccoc1 ZINC000820451402 607080910 /nfs/dbraw/zinc/08/09/10/607080910.db2.gz VGVQISVFPCFLQU-JTQLQIEISA-N -1 3 377.382 0.870 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1nccs1 ZINC000820447207 607081230 /nfs/dbraw/zinc/08/12/30/607081230.db2.gz YOHMWWWAGWZEAD-VIFPVBQESA-N -1 3 394.438 0.733 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1nccs1 ZINC000820447207 607081231 /nfs/dbraw/zinc/08/12/31/607081231.db2.gz YOHMWWWAGWZEAD-VIFPVBQESA-N -1 3 394.438 0.733 20 0 GCADHM CC(=O)CCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819782514 607090201 /nfs/dbraw/zinc/09/02/01/607090201.db2.gz MRAWDMYOQJISRW-LLVKDONJSA-N -1 3 381.414 0.446 20 0 GCADHM CC(=O)CCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819782514 607090202 /nfs/dbraw/zinc/09/02/02/607090202.db2.gz MRAWDMYOQJISRW-LLVKDONJSA-N -1 3 381.414 0.446 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCCS1 ZINC000820444856 607090687 /nfs/dbraw/zinc/09/06/87/607090687.db2.gz MNSDOQQKVGHSTB-ZYHUDNBSSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCCS1 ZINC000820444856 607090688 /nfs/dbraw/zinc/09/06/88/607090688.db2.gz MNSDOQQKVGHSTB-ZYHUDNBSSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCCS1 ZINC000820450445 607091010 /nfs/dbraw/zinc/09/10/10/607091010.db2.gz KTJXAJXSSVHYSU-JQWIXIFHSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCCS1 ZINC000820450445 607091012 /nfs/dbraw/zinc/09/10/12/607091012.db2.gz KTJXAJXSSVHYSU-JQWIXIFHSA-N -1 3 397.482 0.972 20 0 GCADHM COC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821684365 607091225 /nfs/dbraw/zinc/09/12/25/607091225.db2.gz ZQHHUAMQMVIULL-BXUZGUMPSA-N -1 3 397.457 0.748 20 0 GCADHM COC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821684365 607091226 /nfs/dbraw/zinc/09/12/26/607091226.db2.gz ZQHHUAMQMVIULL-BXUZGUMPSA-N -1 3 397.457 0.748 20 0 GCADHM COC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821684367 607091307 /nfs/dbraw/zinc/09/13/07/607091307.db2.gz ZQHHUAMQMVIULL-RISCZKNCSA-N -1 3 397.457 0.748 20 0 GCADHM COC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821684367 607091309 /nfs/dbraw/zinc/09/13/09/607091309.db2.gz ZQHHUAMQMVIULL-RISCZKNCSA-N -1 3 397.457 0.748 20 0 GCADHM CN(CC(=O)Nc1sccc1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821593931 607091414 /nfs/dbraw/zinc/09/14/14/607091414.db2.gz QQVXLNMFOLPJFY-UHFFFAOYSA-N -1 3 399.502 0.223 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cncn1C ZINC000820451044 607091650 /nfs/dbraw/zinc/09/16/50/607091650.db2.gz ROGIXZIFGCSZNF-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cncn1C ZINC000820451044 607091652 /nfs/dbraw/zinc/09/16/52/607091652.db2.gz ROGIXZIFGCSZNF-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCCOC1 ZINC000820452120 607091904 /nfs/dbraw/zinc/09/19/04/607091904.db2.gz ZWRZHKALZLYRKC-PWSUYJOCSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCCOC1 ZINC000820452120 607091905 /nfs/dbraw/zinc/09/19/05/607091905.db2.gz ZWRZHKALZLYRKC-PWSUYJOCSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000820446810 607091997 /nfs/dbraw/zinc/09/19/97/607091997.db2.gz XHSIDNDMKBJFHD-GMXVVIOVSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000820446810 607091999 /nfs/dbraw/zinc/09/19/99/607091999.db2.gz XHSIDNDMKBJFHD-GMXVVIOVSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)C1CC1 ZINC000820449711 607092061 /nfs/dbraw/zinc/09/20/61/607092061.db2.gz BALTYBAVZIOGOO-SECBINFHSA-N -1 3 379.398 0.056 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)C1CC1 ZINC000820449711 607092063 /nfs/dbraw/zinc/09/20/63/607092063.db2.gz BALTYBAVZIOGOO-SECBINFHSA-N -1 3 379.398 0.056 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC[C@@H]1CCCO1 ZINC000820451866 607092154 /nfs/dbraw/zinc/09/21/54/607092154.db2.gz XRELDTAPJSPBLP-YPMHNXCESA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC[C@@H]1CCCO1 ZINC000820451866 607092155 /nfs/dbraw/zinc/09/21/55/607092155.db2.gz XRELDTAPJSPBLP-YPMHNXCESA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820804608 607093151 /nfs/dbraw/zinc/09/31/51/607093151.db2.gz VSHATGXPPGDHEP-WPRPVWTQSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820804608 607093152 /nfs/dbraw/zinc/09/31/52/607093152.db2.gz VSHATGXPPGDHEP-WPRPVWTQSA-N -1 3 380.792 0.067 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000822216495 607093519 /nfs/dbraw/zinc/09/35/19/607093519.db2.gz QJPQWWHUAZWXAV-NSHDSACASA-N -1 3 395.427 0.919 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000822216495 607093521 /nfs/dbraw/zinc/09/35/21/607093521.db2.gz QJPQWWHUAZWXAV-NSHDSACASA-N -1 3 395.427 0.919 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000821400424 607093560 /nfs/dbraw/zinc/09/35/60/607093560.db2.gz JFVPQGIZDUZWFM-LBPRGKRZSA-N -1 3 396.411 0.601 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)C2 ZINC000821727136 607093589 /nfs/dbraw/zinc/09/35/89/607093589.db2.gz CQVIDUHMONJZGA-UHFFFAOYSA-N -1 3 380.368 0.189 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)C2 ZINC000821727136 607093590 /nfs/dbraw/zinc/09/35/90/607093590.db2.gz CQVIDUHMONJZGA-UHFFFAOYSA-N -1 3 380.368 0.189 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)C2 ZINC000821727719 607093659 /nfs/dbraw/zinc/09/36/59/607093659.db2.gz MXLXOROUBJSCPT-UHFFFAOYSA-N -1 3 394.395 0.497 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)C2 ZINC000821727719 607093660 /nfs/dbraw/zinc/09/36/60/607093660.db2.gz MXLXOROUBJSCPT-UHFFFAOYSA-N -1 3 394.395 0.497 20 0 GCADHM CN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821571867 607093999 /nfs/dbraw/zinc/09/39/99/607093999.db2.gz IVSRMAVEQSKOAK-UHFFFAOYSA-N -1 3 397.436 0.894 20 0 GCADHM CN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CCN(S(C)(=O)=O)CC1 ZINC000821571867 607094000 /nfs/dbraw/zinc/09/40/00/607094000.db2.gz IVSRMAVEQSKOAK-UHFFFAOYSA-N -1 3 397.436 0.894 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000823308838 607096354 /nfs/dbraw/zinc/09/63/54/607096354.db2.gz KTRAJWJMUALONT-GFCCVEGCSA-N -1 3 398.345 0.967 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000823308838 607096355 /nfs/dbraw/zinc/09/63/55/607096355.db2.gz KTRAJWJMUALONT-GFCCVEGCSA-N -1 3 398.345 0.967 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000821755719 607096840 /nfs/dbraw/zinc/09/68/40/607096840.db2.gz IYCLYKNARGABGM-NSHDSACASA-N -1 3 382.384 0.731 20 0 GCADHM CN(C)C(=O)CCC[S@@](=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821575989 607098893 /nfs/dbraw/zinc/09/88/93/607098893.db2.gz XPHFMGUSWXRAEM-AREMUKBSSA-N -1 3 378.458 0.100 20 0 GCADHM CN(C)C(=O)CCCC[S@@](=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821575623 607099077 /nfs/dbraw/zinc/09/90/77/607099077.db2.gz JIPBVYGEOFGPJB-AREMUKBSSA-N -1 3 378.458 0.812 20 0 GCADHM CN(C)C(=O)CCCC[S@@](=O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821575623 607099079 /nfs/dbraw/zinc/09/90/79/607099079.db2.gz JIPBVYGEOFGPJB-AREMUKBSSA-N -1 3 378.458 0.812 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2)NC(=O)NC1=O ZINC000820606938 607101320 /nfs/dbraw/zinc/10/13/20/607101320.db2.gz GOBNYFVLHSCVAL-ACJLOTCBSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820606938 607101321 /nfs/dbraw/zinc/10/13/21/607101321.db2.gz GOBNYFVLHSCVAL-ACJLOTCBSA-N -1 3 398.427 0.386 20 0 GCADHM Nc1nsc(N2CCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)n1 ZINC000822911914 607101735 /nfs/dbraw/zinc/10/17/35/607101735.db2.gz DGVKBSROTUBCJF-UHFFFAOYSA-N -1 3 390.408 0.794 20 0 GCADHM Nc1nsc(N2CCN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)n1 ZINC000822911914 607101736 /nfs/dbraw/zinc/10/17/36/607101736.db2.gz DGVKBSROTUBCJF-UHFFFAOYSA-N -1 3 390.408 0.794 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1nc2ccccn2c1=O ZINC000821305086 607102366 /nfs/dbraw/zinc/10/23/66/607102366.db2.gz WOBHHKNMGVWAJB-UHFFFAOYSA-N -1 3 379.384 0.747 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nnn[n-]2)CC1)Nc1nc(C2CC2)no1 ZINC000822997797 607103846 /nfs/dbraw/zinc/10/38/46/607103846.db2.gz VGPDTGTVLJFTBJ-UHFFFAOYSA-N -1 3 395.427 0.888 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nn[n-]n2)CC1)Nc1nc(C2CC2)no1 ZINC000822997797 607103847 /nfs/dbraw/zinc/10/38/47/607103847.db2.gz VGPDTGTVLJFTBJ-UHFFFAOYSA-N -1 3 395.427 0.888 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)C1CCC1 ZINC000820445847 607115823 /nfs/dbraw/zinc/11/58/23/607115823.db2.gz RFUQEJJJHUVUIC-JTQLQIEISA-N -1 3 393.425 0.446 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)C1CCC1 ZINC000820445847 607115821 /nfs/dbraw/zinc/11/58/21/607115821.db2.gz RFUQEJJJHUVUIC-JTQLQIEISA-N -1 3 393.425 0.446 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCOC(C)(C)C ZINC000820447564 607116252 /nfs/dbraw/zinc/11/62/52/607116252.db2.gz ZRUKNJIPTLFLLG-NSHDSACASA-N -1 3 397.457 0.892 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCOC(C)(C)C ZINC000820447564 607116253 /nfs/dbraw/zinc/11/62/53/607116253.db2.gz ZRUKNJIPTLFLLG-NSHDSACASA-N -1 3 397.457 0.892 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1cccnc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820498010 607116884 /nfs/dbraw/zinc/11/68/84/607116884.db2.gz XWPLZWQMHGVTFI-LLVKDONJSA-N -1 3 395.379 0.562 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1cccnc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820498010 607116885 /nfs/dbraw/zinc/11/68/85/607116885.db2.gz XWPLZWQMHGVTFI-LLVKDONJSA-N -1 3 395.379 0.562 20 0 GCADHM CSCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821960647 607116899 /nfs/dbraw/zinc/11/68/99/607116899.db2.gz CASSSKDIBWBGSG-SNVBAGLBSA-N -1 3 385.471 0.830 20 0 GCADHM CSCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821960647 607116900 /nfs/dbraw/zinc/11/69/00/607116900.db2.gz CASSSKDIBWBGSG-SNVBAGLBSA-N -1 3 385.471 0.830 20 0 GCADHM O=C(COC(=O)C[C@H]1COC(=O)C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823017857 607117146 /nfs/dbraw/zinc/11/71/46/607117146.db2.gz DHTBMPDBEGFNDA-QMMMGPOBSA-N -1 3 379.760 0.955 20 0 GCADHM O=C(COC(=O)C[C@H]1COC(=O)C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823017857 607117147 /nfs/dbraw/zinc/11/71/47/607117147.db2.gz DHTBMPDBEGFNDA-QMMMGPOBSA-N -1 3 379.760 0.955 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000823521468 607117370 /nfs/dbraw/zinc/11/73/70/607117370.db2.gz XLMBIBSIAKDVJZ-SCZZXKLOSA-N -1 3 377.382 0.530 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000823521468 607117371 /nfs/dbraw/zinc/11/73/71/607117371.db2.gz XLMBIBSIAKDVJZ-SCZZXKLOSA-N -1 3 377.382 0.530 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cn1c(C)cc(O)cc1=O ZINC000821690113 607117764 /nfs/dbraw/zinc/11/77/64/607117764.db2.gz ZCPJRBGYDZOLLR-UHFFFAOYSA-N -1 3 398.423 0.718 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cn1c(C)cc(O)cc1=O ZINC000821690113 607117765 /nfs/dbraw/zinc/11/77/65/607117765.db2.gz ZCPJRBGYDZOLLR-UHFFFAOYSA-N -1 3 398.423 0.718 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000820001584 607118011 /nfs/dbraw/zinc/11/80/11/607118011.db2.gz TWDJROXHDSOJAN-UHFFFAOYSA-N -1 3 388.384 0.556 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)NC(=O)NC1CC1 ZINC000820001584 607118012 /nfs/dbraw/zinc/11/80/12/607118012.db2.gz TWDJROXHDSOJAN-UHFFFAOYSA-N -1 3 388.384 0.556 20 0 GCADHM CCNC(=O)NC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821286607 607118533 /nfs/dbraw/zinc/11/85/33/607118533.db2.gz SNNAHLOPQIRZIF-UHFFFAOYSA-N -1 3 376.373 0.413 20 0 GCADHM CCNC(=O)NC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821286607 607118535 /nfs/dbraw/zinc/11/85/35/607118535.db2.gz SNNAHLOPQIRZIF-UHFFFAOYSA-N -1 3 376.373 0.413 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCCCC1=O ZINC000820450134 607118696 /nfs/dbraw/zinc/11/86/96/607118696.db2.gz HGPSLTOKHIYHQN-YGRLFVJLSA-N -1 3 393.425 0.588 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCCCC1=O ZINC000820450134 607118698 /nfs/dbraw/zinc/11/86/98/607118698.db2.gz HGPSLTOKHIYHQN-YGRLFVJLSA-N -1 3 393.425 0.588 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccno1 ZINC000820451014 607118976 /nfs/dbraw/zinc/11/89/76/607118976.db2.gz QVTIGUCICXFQLG-SECBINFHSA-N -1 3 378.370 0.265 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccno1 ZINC000820451014 607118978 /nfs/dbraw/zinc/11/89/78/607118978.db2.gz QVTIGUCICXFQLG-SECBINFHSA-N -1 3 378.370 0.265 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCOC(C)(C)C ZINC000820450905 607120506 /nfs/dbraw/zinc/12/05/06/607120506.db2.gz QGMIIZNSLNNYOK-LLVKDONJSA-N -1 3 397.457 0.892 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCOC(C)(C)C ZINC000820450905 607120508 /nfs/dbraw/zinc/12/05/08/607120508.db2.gz QGMIIZNSLNNYOK-LLVKDONJSA-N -1 3 397.457 0.892 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)C1CCC1 ZINC000820450904 607120526 /nfs/dbraw/zinc/12/05/26/607120526.db2.gz QGLBPTLXUXJJRR-SNVBAGLBSA-N -1 3 393.425 0.446 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)C1CCC1 ZINC000820450904 607120528 /nfs/dbraw/zinc/12/05/28/607120528.db2.gz QGLBPTLXUXJJRR-SNVBAGLBSA-N -1 3 393.425 0.446 20 0 GCADHM CCOC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821315046 607121128 /nfs/dbraw/zinc/12/11/28/607121128.db2.gz OYWYMORDJHMEBR-ZJUUUORDSA-N -1 3 397.413 0.028 20 0 GCADHM CCOC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821315046 607121130 /nfs/dbraw/zinc/12/11/30/607121130.db2.gz OYWYMORDJHMEBR-ZJUUUORDSA-N -1 3 397.413 0.028 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000820032766 607130813 /nfs/dbraw/zinc/13/08/13/607130813.db2.gz QGBSRLBXRNZBBL-CQDKDKBSSA-N -1 3 388.428 0.419 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000820032766 607130815 /nfs/dbraw/zinc/13/08/15/607130815.db2.gz QGBSRLBXRNZBBL-CQDKDKBSSA-N -1 3 388.428 0.419 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000820032771 607131040 /nfs/dbraw/zinc/13/10/40/607131040.db2.gz QGBSRLBXRNZBBL-GLQYFDAESA-N -1 3 388.428 0.419 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000820032771 607131041 /nfs/dbraw/zinc/13/10/41/607131041.db2.gz QGBSRLBXRNZBBL-GLQYFDAESA-N -1 3 388.428 0.419 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1O ZINC000820451540 607132366 /nfs/dbraw/zinc/13/23/66/607132366.db2.gz VRZVNTMCLRQAAR-SNVBAGLBSA-N -1 3 388.409 0.878 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1O ZINC000820451540 607132367 /nfs/dbraw/zinc/13/23/67/607132367.db2.gz VRZVNTMCLRQAAR-SNVBAGLBSA-N -1 3 388.409 0.878 20 0 GCADHM C[C@@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000820533598 607135960 /nfs/dbraw/zinc/13/59/60/607135960.db2.gz GOQUUAUFXPQVAY-MWLCHTKSSA-N -1 3 383.405 0.419 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000820533598 607135962 /nfs/dbraw/zinc/13/59/62/607135962.db2.gz GOQUUAUFXPQVAY-MWLCHTKSSA-N -1 3 383.405 0.419 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000821652510 607141061 /nfs/dbraw/zinc/14/10/61/607141061.db2.gz UNAJFLZWPVUYOG-QGZVFWFLSA-N -1 3 375.385 0.666 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000821652510 607141063 /nfs/dbraw/zinc/14/10/63/607141063.db2.gz UNAJFLZWPVUYOG-QGZVFWFLSA-N -1 3 375.385 0.666 20 0 GCADHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1C(N)=O ZINC000821845507 607142656 /nfs/dbraw/zinc/14/26/56/607142656.db2.gz HHNIVFKKMBODCP-UHFFFAOYSA-N -1 3 393.356 0.881 20 0 GCADHM COc1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1C(N)=O ZINC000821845507 607142657 /nfs/dbraw/zinc/14/26/57/607142657.db2.gz HHNIVFKKMBODCP-UHFFFAOYSA-N -1 3 393.356 0.881 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCS[C@H]2COCC[C@H]21 ZINC000823567339 607146200 /nfs/dbraw/zinc/14/62/00/607146200.db2.gz QIKXNTQFGVSHAK-KGLIPLIRSA-N -1 3 381.483 0.903 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCS[C@H]2COCC[C@H]21 ZINC000823567339 607146202 /nfs/dbraw/zinc/14/62/02/607146202.db2.gz QIKXNTQFGVSHAK-KGLIPLIRSA-N -1 3 381.483 0.903 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCS[C@@H]2COCC[C@H]21 ZINC000823599985 607146243 /nfs/dbraw/zinc/14/62/43/607146243.db2.gz BJKVKRGLZRZYOY-VXGBXAGGSA-N -1 3 385.446 0.901 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCS[C@@H]2COCC[C@H]21 ZINC000823599985 607146245 /nfs/dbraw/zinc/14/62/45/607146245.db2.gz BJKVKRGLZRZYOY-VXGBXAGGSA-N -1 3 385.446 0.901 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000823605806 607146307 /nfs/dbraw/zinc/14/63/07/607146307.db2.gz BIGBSUMQUPXIBG-NWDGAFQWSA-N -1 3 385.446 0.901 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000823567340 607146496 /nfs/dbraw/zinc/14/64/96/607146496.db2.gz QIKXNTQFGVSHAK-UONOGXRCSA-N -1 3 381.483 0.903 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000823567340 607146498 /nfs/dbraw/zinc/14/64/98/607146498.db2.gz QIKXNTQFGVSHAK-UONOGXRCSA-N -1 3 381.483 0.903 20 0 GCADHM CCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n[nH]1 ZINC000821471129 607147176 /nfs/dbraw/zinc/14/71/76/607147176.db2.gz VQTHJRRAVXAGTN-VIFPVBQESA-N -1 3 390.429 0.458 20 0 GCADHM CCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000821471129 607147177 /nfs/dbraw/zinc/14/71/77/607147177.db2.gz VQTHJRRAVXAGTN-VIFPVBQESA-N -1 3 390.429 0.458 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](O)C1CCOCC1 ZINC000819997086 607155541 /nfs/dbraw/zinc/15/55/41/607155541.db2.gz PYYJXAVKKWGRIT-OAHLLOKOSA-N -1 3 375.429 0.928 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](O)C1CCOCC1 ZINC000819997086 607155544 /nfs/dbraw/zinc/15/55/44/607155544.db2.gz PYYJXAVKKWGRIT-OAHLLOKOSA-N -1 3 375.429 0.928 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](O)COCC1CC1 ZINC000819996930 607158030 /nfs/dbraw/zinc/15/80/30/607158030.db2.gz NUQIWSXYJZIWBE-CQSZACIVSA-N -1 3 375.429 0.928 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](O)COCC1CC1 ZINC000819996930 607158032 /nfs/dbraw/zinc/15/80/32/607158032.db2.gz NUQIWSXYJZIWBE-CQSZACIVSA-N -1 3 375.429 0.928 20 0 GCADHM Cc1nn(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(N)c1-c1nnn[n-]1 ZINC000822496887 607158870 /nfs/dbraw/zinc/15/88/70/607158870.db2.gz VVTFVGUFJMVLGP-ZDUSSCGKSA-N -1 3 386.391 0.693 20 0 GCADHM Cc1nn(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(N)c1-c1nn[n-]n1 ZINC000822496887 607158871 /nfs/dbraw/zinc/15/88/71/607158871.db2.gz VVTFVGUFJMVLGP-ZDUSSCGKSA-N -1 3 386.391 0.693 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](O)C(C)(C)C ZINC000820450420 607159666 /nfs/dbraw/zinc/15/96/66/607159666.db2.gz KFKKZJSTTZBYLP-MFKMUULPSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](O)C(C)(C)C ZINC000820450420 607159668 /nfs/dbraw/zinc/15/96/68/607159668.db2.gz KFKKZJSTTZBYLP-MFKMUULPSA-N -1 3 396.473 0.057 20 0 GCADHM O=C(NCCCF)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823188022 607163965 /nfs/dbraw/zinc/16/39/65/607163965.db2.gz SITIFLYXHMKJAF-UHFFFAOYSA-N -1 3 396.448 0.743 20 0 GCADHM O=C(NCCCF)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823188022 607163968 /nfs/dbraw/zinc/16/39/68/607163968.db2.gz SITIFLYXHMKJAF-UHFFFAOYSA-N -1 3 396.448 0.743 20 0 GCADHM CN(CCCn1ccnc1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821601316 607165136 /nfs/dbraw/zinc/16/51/36/607165136.db2.gz AXJIHPGKCSLVDK-UHFFFAOYSA-N -1 3 392.427 0.993 20 0 GCADHM CN(CCCn1ccnc1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821601316 607165137 /nfs/dbraw/zinc/16/51/37/607165137.db2.gz AXJIHPGKCSLVDK-UHFFFAOYSA-N -1 3 392.427 0.993 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821684892 607166365 /nfs/dbraw/zinc/16/63/65/607166365.db2.gz NYMCZPBVYKGSLP-UHFFFAOYSA-N -1 3 386.456 0.943 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821684892 607166366 /nfs/dbraw/zinc/16/63/66/607166366.db2.gz NYMCZPBVYKGSLP-UHFFFAOYSA-N -1 3 386.456 0.943 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCOC2(CCOCC2)C1 ZINC000823160514 607169396 /nfs/dbraw/zinc/16/93/96/607169396.db2.gz CDRJSPLUIMHBJK-UHFFFAOYSA-N -1 3 386.412 0.005 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC2(CCOCC2)C1 ZINC000823160514 607169397 /nfs/dbraw/zinc/16/93/97/607169397.db2.gz CDRJSPLUIMHBJK-UHFFFAOYSA-N -1 3 386.412 0.005 20 0 GCADHM Cc1cc(-c2nnc(S[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)n2N)n[nH]1 ZINC000822128910 607169825 /nfs/dbraw/zinc/16/98/25/607169825.db2.gz GCEKRCQVNHGHQK-NSHDSACASA-N -1 3 397.428 0.189 20 0 GCADHM Cc1cc(-c2nnc(S[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)n2N)n[nH]1 ZINC000822128910 607169826 /nfs/dbraw/zinc/16/98/26/607169826.db2.gz GCEKRCQVNHGHQK-NSHDSACASA-N -1 3 397.428 0.189 20 0 GCADHM CC(C)(CNC(=O)COc1ccc(-c2nnn[n-]2)cc1F)N1CCOCC1 ZINC000819980653 607171009 /nfs/dbraw/zinc/17/10/09/607171009.db2.gz GTWQVTDDHNCYMJ-UHFFFAOYSA-N -1 3 378.408 0.612 20 0 GCADHM CC(C)(CNC(=O)COc1ccc(-c2nn[n-]n2)cc1F)N1CCOCC1 ZINC000819980653 607171010 /nfs/dbraw/zinc/17/10/10/607171010.db2.gz GTWQVTDDHNCYMJ-UHFFFAOYSA-N -1 3 378.408 0.612 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822674502 607171377 /nfs/dbraw/zinc/17/13/77/607171377.db2.gz VVACBLFAZORHGQ-GUYCJALGSA-N -1 3 382.384 0.101 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674502 607171378 /nfs/dbraw/zinc/17/13/78/607171378.db2.gz VVACBLFAZORHGQ-GUYCJALGSA-N -1 3 382.384 0.101 20 0 GCADHM O=C1NC[C@@H]2CN(c3c(-c4nnn[n-]4)cnc4ccc(Cl)cc43)CCN2C1=O ZINC000823542670 607174057 /nfs/dbraw/zinc/17/40/57/607174057.db2.gz XTNHHLNRFVQSBW-SNVBAGLBSA-N -1 3 398.814 0.215 20 0 GCADHM O=C1NC[C@@H]2CN(c3c(-c4nn[n-]n4)cnc4ccc(Cl)cc43)CCN2C1=O ZINC000823542670 607174058 /nfs/dbraw/zinc/17/40/58/607174058.db2.gz XTNHHLNRFVQSBW-SNVBAGLBSA-N -1 3 398.814 0.215 20 0 GCADHM CC[C@@H]1CN(CC(=O)Nc2sccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820994834 607177103 /nfs/dbraw/zinc/17/71/03/607177103.db2.gz LBSXDMMHBDZOEL-OCCSQVGLSA-N -1 3 391.501 0.909 20 0 GCADHM COC(=O)c1[nH]c(C)c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821667077 607179056 /nfs/dbraw/zinc/17/90/56/607179056.db2.gz STMDFFMWSYBDQX-AWEZNQCLSA-N -1 3 398.379 0.982 20 0 GCADHM COC(=O)c1[nH]c(C)c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821667077 607179057 /nfs/dbraw/zinc/17/90/57/607179057.db2.gz STMDFFMWSYBDQX-AWEZNQCLSA-N -1 3 398.379 0.982 20 0 GCADHM CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820132915 607179641 /nfs/dbraw/zinc/17/96/41/607179641.db2.gz NWBYIEAIKLCORT-UHFFFAOYSA-N -1 3 379.808 0.490 20 0 GCADHM CC(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820132915 607179642 /nfs/dbraw/zinc/17/96/42/607179642.db2.gz NWBYIEAIKLCORT-UHFFFAOYSA-N -1 3 379.808 0.490 20 0 GCADHM CC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000819796661 607179755 /nfs/dbraw/zinc/17/97/55/607179755.db2.gz MVGJFPWDZBSGKS-UHFFFAOYSA-N -1 3 391.819 0.539 20 0 GCADHM CC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000819796661 607179756 /nfs/dbraw/zinc/17/97/56/607179756.db2.gz MVGJFPWDZBSGKS-UHFFFAOYSA-N -1 3 391.819 0.539 20 0 GCADHM COCCc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000821694524 607179962 /nfs/dbraw/zinc/17/99/62/607179962.db2.gz QPIREICFWMZMDD-LLVKDONJSA-N -1 3 398.427 0.605 20 0 GCADHM COCCc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000821694524 607179963 /nfs/dbraw/zinc/17/99/63/607179963.db2.gz QPIREICFWMZMDD-LLVKDONJSA-N -1 3 398.427 0.605 20 0 GCADHM NC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000822865104 607180045 /nfs/dbraw/zinc/18/00/45/607180045.db2.gz VJGOOIPUKPVEMT-UHFFFAOYSA-N -1 3 377.792 0.183 20 0 GCADHM NC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000822865104 607180046 /nfs/dbraw/zinc/18/00/46/607180046.db2.gz VJGOOIPUKPVEMT-UHFFFAOYSA-N -1 3 377.792 0.183 20 0 GCADHM O=C(NC[C@H](O)c1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823166825 607180484 /nfs/dbraw/zinc/18/04/84/607180484.db2.gz QKLHZGNFADANLI-NSHDSACASA-N -1 3 376.760 0.901 20 0 GCADHM O=C(NC[C@H](O)c1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823166825 607180485 /nfs/dbraw/zinc/18/04/85/607180485.db2.gz QKLHZGNFADANLI-NSHDSACASA-N -1 3 376.760 0.901 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820875955 607180610 /nfs/dbraw/zinc/18/06/10/607180610.db2.gz JCPOUHPUTISSCZ-SECBINFHSA-N -1 3 393.835 0.880 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820875955 607180611 /nfs/dbraw/zinc/18/06/11/607180611.db2.gz JCPOUHPUTISSCZ-SECBINFHSA-N -1 3 393.835 0.880 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820876409 607180616 /nfs/dbraw/zinc/18/06/16/607180616.db2.gz PZLVFJVNYNCYHP-IUCAKERBSA-N -1 3 393.835 0.878 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820876409 607180617 /nfs/dbraw/zinc/18/06/17/607180617.db2.gz PZLVFJVNYNCYHP-IUCAKERBSA-N -1 3 393.835 0.878 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821631792 607181992 /nfs/dbraw/zinc/18/19/92/607181992.db2.gz SMYLTXAUJOMJFA-JTQLQIEISA-N -1 3 391.819 0.443 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821631792 607181993 /nfs/dbraw/zinc/18/19/93/607181993.db2.gz SMYLTXAUJOMJFA-JTQLQIEISA-N -1 3 391.819 0.443 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823210600 607182080 /nfs/dbraw/zinc/18/20/80/607182080.db2.gz BZFMWZUJQYRBDD-SNVBAGLBSA-N -1 3 394.819 0.628 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823210600 607182081 /nfs/dbraw/zinc/18/20/81/607182081.db2.gz BZFMWZUJQYRBDD-SNVBAGLBSA-N -1 3 394.819 0.628 20 0 GCADHM CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821956457 607183601 /nfs/dbraw/zinc/18/36/01/607183601.db2.gz PEKHYKTUCKPPMC-SECBINFHSA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821956457 607183602 /nfs/dbraw/zinc/18/36/02/607183602.db2.gz PEKHYKTUCKPPMC-SECBINFHSA-N -1 3 384.849 0.689 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCCS(=O)(=O)CC1 ZINC000823314558 607184121 /nfs/dbraw/zinc/18/41/21/607184121.db2.gz PYAIMIGNTCWBJK-UHFFFAOYSA-N -1 3 398.832 0.106 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCCS(=O)(=O)CC1 ZINC000823314558 607184122 /nfs/dbraw/zinc/18/41/22/607184122.db2.gz PYAIMIGNTCWBJK-UHFFFAOYSA-N -1 3 398.832 0.106 20 0 GCADHM C[C@H](C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)S(C)(=O)=O ZINC000819866420 607187312 /nfs/dbraw/zinc/18/73/12/607187312.db2.gz MOHGGCJNULGYOH-SECBINFHSA-N -1 3 375.414 0.306 20 0 GCADHM C[C@@H](C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)S(C)(=O)=O ZINC000819866423 607187523 /nfs/dbraw/zinc/18/75/23/607187523.db2.gz MOHGGCJNULGYOH-VIFPVBQESA-N -1 3 375.414 0.306 20 0 GCADHM CC(C)CN1CCO[C@@H](CNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820092521 607207028 /nfs/dbraw/zinc/20/70/28/607207028.db2.gz NCONHFSNVDHHBL-INIZCTEOSA-N -1 3 394.501 0.643 20 0 GCADHM O=C(CNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1)NCCO ZINC000823002266 607219814 /nfs/dbraw/zinc/21/98/14/607219814.db2.gz VZNOJHBMORVUQP-UHFFFAOYSA-N -1 3 397.395 0.889 20 0 GCADHM O=C(CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)NCCO ZINC000823002266 607219815 /nfs/dbraw/zinc/21/98/15/607219815.db2.gz VZNOJHBMORVUQP-UHFFFAOYSA-N -1 3 397.395 0.889 20 0 GCADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000823498166 607231784 /nfs/dbraw/zinc/23/17/84/607231784.db2.gz FXLKZCKFQMHJTM-GFCCVEGCSA-N -1 3 391.819 0.379 20 0 GCADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000823498166 607231785 /nfs/dbraw/zinc/23/17/85/607231785.db2.gz FXLKZCKFQMHJTM-GFCCVEGCSA-N -1 3 391.819 0.379 20 0 GCADHM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000820908121 607234219 /nfs/dbraw/zinc/23/42/19/607234219.db2.gz JMGMNGJRULELHE-AWEZNQCLSA-N -1 3 397.439 0.887 20 0 GCADHM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000820908121 607234220 /nfs/dbraw/zinc/23/42/20/607234220.db2.gz JMGMNGJRULELHE-AWEZNQCLSA-N -1 3 397.439 0.887 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822895351 607235202 /nfs/dbraw/zinc/23/52/02/607235202.db2.gz PGNVCVXFIFYQBX-LJTDUEICSA-N -1 3 376.442 0.550 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822895351 607235203 /nfs/dbraw/zinc/23/52/03/607235203.db2.gz PGNVCVXFIFYQBX-LJTDUEICSA-N -1 3 376.442 0.550 20 0 GCADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000823450411 607246518 /nfs/dbraw/zinc/24/65/18/607246518.db2.gz QFQNUJPOEZEPRD-UHFFFAOYSA-N -1 3 390.356 0.409 20 0 GCADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000823450411 607246519 /nfs/dbraw/zinc/24/65/19/607246519.db2.gz QFQNUJPOEZEPRD-UHFFFAOYSA-N -1 3 390.356 0.409 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000826174710 607773508 /nfs/dbraw/zinc/77/35/08/607773508.db2.gz GWTKTPKRJGSLLK-FZMZJTMJSA-N -1 3 388.428 0.627 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CCN(C(C)=O)C[C@@H]1C ZINC000826174710 607773509 /nfs/dbraw/zinc/77/35/09/607773509.db2.gz GWTKTPKRJGSLLK-FZMZJTMJSA-N -1 3 388.428 0.627 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@@H](C)O)cc1-c1nnn[n-]1 ZINC000825523623 607773840 /nfs/dbraw/zinc/77/38/40/607773840.db2.gz ROMZHNHRQXTGBX-SECBINFHSA-N -1 3 391.388 0.261 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC[C@@H](C)O)cc1-c1nn[n-]n1 ZINC000825523623 607773841 /nfs/dbraw/zinc/77/38/41/607773841.db2.gz ROMZHNHRQXTGBX-SECBINFHSA-N -1 3 391.388 0.261 20 0 GCADHM CC(C)C[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000824229445 607774204 /nfs/dbraw/zinc/77/42/04/607774204.db2.gz QVEJENMMFRNZIG-GFCCVEGCSA-N -1 3 397.443 0.996 20 0 GCADHM CC(C)C[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824229445 607774205 /nfs/dbraw/zinc/77/42/05/607774205.db2.gz QVEJENMMFRNZIG-GFCCVEGCSA-N -1 3 397.443 0.996 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826454382 607774744 /nfs/dbraw/zinc/77/47/44/607774744.db2.gz URTKYOSXVRZEAK-LLVKDONJSA-N -1 3 399.390 0.475 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826454382 607774745 /nfs/dbraw/zinc/77/47/45/607774745.db2.gz URTKYOSXVRZEAK-LLVKDONJSA-N -1 3 399.390 0.475 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826451917 607774859 /nfs/dbraw/zinc/77/48/59/607774859.db2.gz BKIVUMCAAGAAKR-LBPRGKRZSA-N -1 3 381.400 0.336 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826451917 607774860 /nfs/dbraw/zinc/77/48/60/607774860.db2.gz BKIVUMCAAGAAKR-LBPRGKRZSA-N -1 3 381.400 0.336 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826453419 607774950 /nfs/dbraw/zinc/77/49/50/607774950.db2.gz JYYCVKOKIHBIQQ-LLVKDONJSA-N -1 3 399.390 0.475 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826453419 607774951 /nfs/dbraw/zinc/77/49/51/607774951.db2.gz JYYCVKOKIHBIQQ-LLVKDONJSA-N -1 3 399.390 0.475 20 0 GCADHM O=C(NC[C@H](O)CO)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826432523 607781264 /nfs/dbraw/zinc/78/12/64/607781264.db2.gz DFIKLHWCGIHHPZ-NSHDSACASA-N -1 3 375.414 0.389 20 0 GCADHM O=C(NCc1ncccc1F)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826443740 607782576 /nfs/dbraw/zinc/78/25/76/607782576.db2.gz AYSBWOOQNHTDNI-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1ncccc1F)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826443740 607782577 /nfs/dbraw/zinc/78/25/77/607782577.db2.gz AYSBWOOQNHTDNI-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000825958067 607793681 /nfs/dbraw/zinc/79/36/81/607793681.db2.gz MRLWYXACZOIYOB-ZDUSSCGKSA-N -1 3 393.473 0.290 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000825958067 607793682 /nfs/dbraw/zinc/79/36/82/607793682.db2.gz MRLWYXACZOIYOB-ZDUSSCGKSA-N -1 3 393.473 0.290 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826223176 607794547 /nfs/dbraw/zinc/79/45/47/607794547.db2.gz DECXHDHYMDIGGP-NNNHXZLVSA-N -1 3 376.442 0.278 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000826223176 607794548 /nfs/dbraw/zinc/79/45/48/607794548.db2.gz DECXHDHYMDIGGP-NNNHXZLVSA-N -1 3 376.442 0.278 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000825971401 607794574 /nfs/dbraw/zinc/79/45/74/607794574.db2.gz FJIDNZKYNBNFHV-CQSZACIVSA-N -1 3 393.473 0.432 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000825971401 607794575 /nfs/dbraw/zinc/79/45/75/607794575.db2.gz FJIDNZKYNBNFHV-CQSZACIVSA-N -1 3 393.473 0.432 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826438324 607795243 /nfs/dbraw/zinc/79/52/43/607795243.db2.gz YFMRVHCDZZTILP-CYBMUJFWSA-N -1 3 394.443 0.647 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826438324 607795244 /nfs/dbraw/zinc/79/52/44/607795244.db2.gz YFMRVHCDZZTILP-CYBMUJFWSA-N -1 3 394.443 0.647 20 0 GCADHM CC(=O)OC1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824010122 607800550 /nfs/dbraw/zinc/80/05/50/607800550.db2.gz JBKUDIHDQHPXLU-UHFFFAOYSA-N -1 3 379.442 0.668 20 0 GCADHM CC(=O)OC1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824010122 607800551 /nfs/dbraw/zinc/80/05/51/607800551.db2.gz JBKUDIHDQHPXLU-UHFFFAOYSA-N -1 3 379.442 0.668 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000826278027 607803264 /nfs/dbraw/zinc/80/32/64/607803264.db2.gz OYEFIFMYFOTAOO-GFCCVEGCSA-N -1 3 379.446 0.721 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000826278027 607803265 /nfs/dbraw/zinc/80/32/65/607803265.db2.gz OYEFIFMYFOTAOO-GFCCVEGCSA-N -1 3 379.446 0.721 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826223527 607804093 /nfs/dbraw/zinc/80/40/93/607804093.db2.gz PRWMNQXBMIKFGZ-SECBINFHSA-N -1 3 383.409 0.409 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826223527 607804094 /nfs/dbraw/zinc/80/40/94/607804094.db2.gz PRWMNQXBMIKFGZ-SECBINFHSA-N -1 3 383.409 0.409 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826223779 607804231 /nfs/dbraw/zinc/80/42/31/607804231.db2.gz ZPMFFDBJXAXQJD-VIFPVBQESA-N -1 3 383.409 0.409 20 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/nfs/dbraw/zinc/80/65/44/607806544.db2.gz NDWKYZFJZIHTJN-UHFFFAOYSA-N -1 3 382.421 0.724 20 0 GCADHM CS(=O)(=O)CCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000826222794 607806545 /nfs/dbraw/zinc/80/65/45/607806545.db2.gz NDWKYZFJZIHTJN-UHFFFAOYSA-N -1 3 382.421 0.724 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000826223553 607809291 /nfs/dbraw/zinc/80/92/91/607809291.db2.gz RBYRTXUGQQUYLH-QMMMGPOBSA-N -1 3 391.379 0.974 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000826223553 607809292 /nfs/dbraw/zinc/80/92/92/607809292.db2.gz RBYRTXUGQQUYLH-QMMMGPOBSA-N -1 3 391.379 0.974 20 0 GCADHM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826222814 607811859 /nfs/dbraw/zinc/81/18/59/607811859.db2.gz OBFWBTBZGZNNPB-UHFFFAOYSA-N -1 3 389.434 0.204 20 0 GCADHM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826222814 607811860 /nfs/dbraw/zinc/81/18/60/607811860.db2.gz OBFWBTBZGZNNPB-UHFFFAOYSA-N -1 3 389.434 0.204 20 0 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607839125 /nfs/dbraw/zinc/83/91/25/607839125.db2.gz PVSHNYSRNFFCPQ-UHFFFAOYSA-N -1 3 378.440 0.816 20 0 GCADHM O=C(CN1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1)NC1CC1 ZINC000826411230 607839126 /nfs/dbraw/zinc/83/91/26/607839126.db2.gz PVSHNYSRNFFCPQ-UHFFFAOYSA-N -1 3 378.440 0.816 20 0 GCADHM O=c1ccc(C(F)(F)F)nn1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826501912 607843387 /nfs/dbraw/zinc/84/33/87/607843387.db2.gz LZXICQDGFIEBKG-JTQLQIEISA-N -1 3 382.302 0.882 20 0 GCADHM CN(CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)c1ccccc1-c1nnn[n-]1 ZINC000825950310 607846704 /nfs/dbraw/zinc/84/67/04/607846704.db2.gz NIAYKCMEDQLDMO-ZDUSSCGKSA-N -1 3 380.412 0.612 20 0 GCADHM CN(CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O)c1ccccc1-c1nn[n-]n1 ZINC000825950310 607846705 /nfs/dbraw/zinc/84/67/05/607846705.db2.gz NIAYKCMEDQLDMO-ZDUSSCGKSA-N -1 3 380.412 0.612 20 0 GCADHM CC(C)CN1C(=O)C(=O)N(CN(C)c2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000824262256 607847297 /nfs/dbraw/zinc/84/72/97/607847297.db2.gz YQGPMWZCJSHGPV-UHFFFAOYSA-N -1 3 375.364 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ZINC000826490470 607853849 /nfs/dbraw/zinc/85/38/49/607853849.db2.gz WPGCJYFEJCNVBU-LBPRGKRZSA-N -1 3 393.347 0.315 20 0 GCADHM O=S(=O)(NC[C@]1(O)CCOC1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826489956 607853958 /nfs/dbraw/zinc/85/39/58/607853958.db2.gz FPIDDWZBGPQTSQ-GFCCVEGCSA-N -1 3 393.347 0.315 20 0 GCADHM O=S(=O)(NC[C@]1(O)CCOC1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826489956 607853959 /nfs/dbraw/zinc/85/39/59/607853959.db2.gz FPIDDWZBGPQTSQ-GFCCVEGCSA-N -1 3 393.347 0.315 20 0 GCADHM COc1ccc(CNC(=O)N(C)C[C@H]2CCN(C(C)=O)C2)cc1-c1nnn[n-]1 ZINC000826197451 607855520 /nfs/dbraw/zinc/85/55/20/607855520.db2.gz PIJZNBUSAZSAKL-CQSZACIVSA-N -1 3 387.444 0.885 20 0 GCADHM COc1ccc(CNC(=O)N(C)C[C@H]2CCN(C(C)=O)C2)cc1-c1nn[n-]n1 ZINC000826197451 607855521 /nfs/dbraw/zinc/85/55/21/607855521.db2.gz PIJZNBUSAZSAKL-CQSZACIVSA-N -1 3 387.444 0.885 20 0 GCADHM O=C1NC[C@@H](CN2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)O1 ZINC000826482529 607857448 /nfs/dbraw/zinc/85/74/48/607857448.db2.gz HXFVEPMVTRSKDZ-LBPRGKRZSA-N -1 3 380.412 0.645 20 0 GCADHM O=C1NC[C@H](CN2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)O1 ZINC000826482528 607857478 /nfs/dbraw/zinc/85/74/78/607857478.db2.gz HXFVEPMVTRSKDZ-GFCCVEGCSA-N -1 3 380.412 0.645 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000823973533 607857894 /nfs/dbraw/zinc/85/78/94/607857894.db2.gz KIUYGLZTSNFWIE-CQSZACIVSA-N -1 3 392.485 0.441 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000823973533 607857895 /nfs/dbraw/zinc/85/78/95/607857895.db2.gz KIUYGLZTSNFWIE-CQSZACIVSA-N -1 3 392.485 0.441 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)[C@@H]2C1 ZINC000826145258 607858880 /nfs/dbraw/zinc/85/88/80/607858880.db2.gz CMNMMPQHXLKKMI-ZACQAIPSSA-N -1 3 386.456 0.751 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)[C@@H]2C1 ZINC000826145258 607858881 /nfs/dbraw/zinc/85/88/81/607858881.db2.gz CMNMMPQHXLKKMI-ZACQAIPSSA-N -1 3 386.456 0.751 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)[C@H]2C1 ZINC000826145701 607858938 /nfs/dbraw/zinc/85/89/38/607858938.db2.gz LBFUQOCAGBVQEV-IXDOHACOSA-N -1 3 386.456 0.751 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)[C@H]2C1 ZINC000826145701 607858939 /nfs/dbraw/zinc/85/89/39/607858939.db2.gz LBFUQOCAGBVQEV-IXDOHACOSA-N -1 3 386.456 0.751 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000823973969 607859272 /nfs/dbraw/zinc/85/92/72/607859272.db2.gz NBHWVXWSDASIDC-CYBMUJFWSA-N -1 3 387.448 0.183 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000823973969 607859273 /nfs/dbraw/zinc/85/92/73/607859273.db2.gz NBHWVXWSDASIDC-CYBMUJFWSA-N -1 3 387.448 0.183 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1cccc(N(C)C)n1 ZINC000826276923 607860646 /nfs/dbraw/zinc/86/06/46/607860646.db2.gz CTTQKHOCXUZIGV-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1cccc(N(C)C)n1 ZINC000826276923 607860647 /nfs/dbraw/zinc/86/06/47/607860647.db2.gz CTTQKHOCXUZIGV-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1nc(-c2cccc(-c3nnn[n-]3)c2)nn1C[C@H](O)COC1CCOCC1 ZINC000826322555 607869172 /nfs/dbraw/zinc/86/91/72/607869172.db2.gz RROZBLXUJUTPNF-HNNXBMFYSA-N -1 3 385.428 0.990 20 0 GCADHM Cc1nc(-c2cccc(-c3nn[n-]n3)c2)nn1C[C@H](O)COC1CCOCC1 ZINC000826322555 607869173 /nfs/dbraw/zinc/86/91/73/607869173.db2.gz RROZBLXUJUTPNF-HNNXBMFYSA-N -1 3 385.428 0.990 20 0 GCADHM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826481803 607876572 /nfs/dbraw/zinc/87/65/72/607876572.db2.gz JENAXRLPSZDPQH-LLVKDONJSA-N -1 3 384.377 0.898 20 0 GCADHM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826481803 607876573 /nfs/dbraw/zinc/87/65/73/607876573.db2.gz JENAXRLPSZDPQH-LLVKDONJSA-N -1 3 384.377 0.898 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825176437 607879767 /nfs/dbraw/zinc/87/97/67/607879767.db2.gz SZEWREHDNREJTR-KDOFPFPSSA-N -1 3 396.411 0.491 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825176437 607879768 /nfs/dbraw/zinc/87/97/68/607879768.db2.gz SZEWREHDNREJTR-KDOFPFPSSA-N -1 3 396.411 0.491 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1cccc(-n2ccnn2)c1 ZINC000826438363 607882298 /nfs/dbraw/zinc/88/22/98/607882298.db2.gz ZQZIOKZQLRRECU-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cccc(-n2ccnn2)c1 ZINC000826438363 607882299 /nfs/dbraw/zinc/88/22/99/607882299.db2.gz ZQZIOKZQLRRECU-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000826424599 607891456 /nfs/dbraw/zinc/89/14/56/607891456.db2.gz UCZZJAZFVRRMJV-CQSZACIVSA-N -1 3 378.458 0.627 20 0 GCADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000826424599 607891457 /nfs/dbraw/zinc/89/14/57/607891457.db2.gz UCZZJAZFVRRMJV-CQSZACIVSA-N -1 3 378.458 0.627 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1=O ZINC000825176058 607894072 /nfs/dbraw/zinc/89/40/72/607894072.db2.gz DPNMDXYUAUOBKG-SFHVURJKSA-N -1 3 396.411 0.966 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1=O ZINC000825176058 607894073 /nfs/dbraw/zinc/89/40/73/607894073.db2.gz DPNMDXYUAUOBKG-SFHVURJKSA-N -1 3 396.411 0.966 20 0 GCADHM O=S(=O)(NC[C@@H](CO)Cc1ccco1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826489538 607906611 /nfs/dbraw/zinc/90/66/11/607906611.db2.gz SVAOUWMJTRCDCV-JTQLQIEISA-N -1 3 381.389 0.728 20 0 GCADHM O=S(=O)(NC[C@@H](CO)Cc1ccco1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826489538 607906612 /nfs/dbraw/zinc/90/66/12/607906612.db2.gz SVAOUWMJTRCDCV-JTQLQIEISA-N -1 3 381.389 0.728 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825213483 607907072 /nfs/dbraw/zinc/90/70/72/607907072.db2.gz YZNZCPAJRFFHIW-HOCLYGCPSA-N -1 3 392.485 0.933 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825213483 607907073 /nfs/dbraw/zinc/90/70/73/607907073.db2.gz YZNZCPAJRFFHIW-HOCLYGCPSA-N -1 3 392.485 0.933 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825210311 607907181 /nfs/dbraw/zinc/90/71/81/607907181.db2.gz GLKPULCBCVNMAZ-GXTWGEPZSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825210311 607907182 /nfs/dbraw/zinc/90/71/82/607907182.db2.gz GLKPULCBCVNMAZ-GXTWGEPZSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825210312 607907212 /nfs/dbraw/zinc/90/72/12/607907212.db2.gz GLKPULCBCVNMAZ-JSGCOSHPSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825210312 607907213 /nfs/dbraw/zinc/90/72/13/607907213.db2.gz GLKPULCBCVNMAZ-JSGCOSHPSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825213163 607907234 /nfs/dbraw/zinc/90/72/34/607907234.db2.gz VZVAMJOQEMDCSV-FZMZJTMJSA-N -1 3 396.448 0.931 20 0 GCADHM Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826363847 607907257 /nfs/dbraw/zinc/90/72/57/607907257.db2.gz DILRSRNXFMZDKW-JTQLQIEISA-N -1 3 377.405 0.918 20 0 GCADHM Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826363847 607907258 /nfs/dbraw/zinc/90/72/58/607907258.db2.gz DILRSRNXFMZDKW-JTQLQIEISA-N -1 3 377.405 0.918 20 0 GCADHM Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826363931 607907493 /nfs/dbraw/zinc/90/74/93/607907493.db2.gz GFAZVCSTMFTZPK-NSHDSACASA-N -1 3 377.405 0.918 20 0 GCADHM Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826363931 607907494 /nfs/dbraw/zinc/90/74/94/607907494.db2.gz GFAZVCSTMFTZPK-NSHDSACASA-N -1 3 377.405 0.918 20 0 GCADHM COC[C@@H](CCO)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826149654 607908429 /nfs/dbraw/zinc/90/84/29/607908429.db2.gz MHBWPSCSBNWWBC-GFCCVEGCSA-N -1 3 376.417 0.489 20 0 GCADHM COC[C@@H](CCO)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826149654 607908430 /nfs/dbraw/zinc/90/84/30/607908430.db2.gz MHBWPSCSBNWWBC-GFCCVEGCSA-N -1 3 376.417 0.489 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NCC1CCS(=O)(=O)CC1 ZINC000826441879 607913936 /nfs/dbraw/zinc/91/39/36/607913936.db2.gz ZRWATCIEQPAOLI-UHFFFAOYSA-N -1 3 382.421 0.630 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NCC1CCS(=O)(=O)CC1 ZINC000826441879 607913937 /nfs/dbraw/zinc/91/39/37/607913937.db2.gz ZRWATCIEQPAOLI-UHFFFAOYSA-N -1 3 382.421 0.630 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000823981967 607914757 /nfs/dbraw/zinc/91/47/57/607914757.db2.gz UVKVAAHFDUJBQP-LBPRGKRZSA-N -1 3 390.400 0.959 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823980957 607914817 /nfs/dbraw/zinc/91/48/17/607914817.db2.gz HORLEWDGMBYBSC-JKSUJKDBSA-N -1 3 398.423 0.916 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823980957 607914818 /nfs/dbraw/zinc/91/48/18/607914818.db2.gz HORLEWDGMBYBSC-JKSUJKDBSA-N -1 3 398.423 0.916 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826160321 607915218 /nfs/dbraw/zinc/91/52/18/607915218.db2.gz OAWMMNVNFSXJPY-HNNXBMFYSA-N -1 3 389.460 0.572 20 0 GCADHM CCOC(=O)[C@H]1CN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CCO1 ZINC000825499269 607923572 /nfs/dbraw/zinc/92/35/72/607923572.db2.gz JHEZJVXNKKXPNK-CYBMUJFWSA-N -1 3 375.385 0.417 20 0 GCADHM CCOC(=O)[C@H]1CN(Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)CCO1 ZINC000825499269 607923573 /nfs/dbraw/zinc/92/35/73/607923573.db2.gz JHEZJVXNKKXPNK-CYBMUJFWSA-N -1 3 375.385 0.417 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823981044 607926959 /nfs/dbraw/zinc/92/69/59/607926959.db2.gz KCDZDZMASBWQDB-HNNXBMFYSA-N -1 3 395.427 0.846 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823981044 607926960 /nfs/dbraw/zinc/92/69/60/607926960.db2.gz KCDZDZMASBWQDB-HNNXBMFYSA-N -1 3 395.427 0.846 20 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392.427 0.241 20 0 GCADHM O=c1n(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)nc2n1CCCC2 ZINC000826501693 607971035 /nfs/dbraw/zinc/97/10/35/607971035.db2.gz CHOBFBAFJBOMOG-UHFFFAOYSA-N -1 3 399.434 0.480 20 0 GCADHM O=c1n(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)nc2n1CCCC2 ZINC000826501693 607971036 /nfs/dbraw/zinc/97/10/36/607971036.db2.gz CHOBFBAFJBOMOG-UHFFFAOYSA-N -1 3 399.434 0.480 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CCSCC1 ZINC000826124799 607973700 /nfs/dbraw/zinc/97/37/00/607973700.db2.gz VOVBWMSFBBNDOA-UHFFFAOYSA-N -1 3 397.482 0.892 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CCSCC1 ZINC000826124799 607973701 /nfs/dbraw/zinc/97/37/01/607973701.db2.gz VOVBWMSFBBNDOA-UHFFFAOYSA-N -1 3 397.482 0.892 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000824108702 607976036 /nfs/dbraw/zinc/97/60/36/607976036.db2.gz JKWQJNMEWMEILP-GFCCVEGCSA-N -1 3 390.400 0.679 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000824108702 607976037 /nfs/dbraw/zinc/97/60/37/607976037.db2.gz JKWQJNMEWMEILP-GFCCVEGCSA-N -1 3 390.400 0.679 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824109448 607976166 /nfs/dbraw/zinc/97/61/66/607976166.db2.gz QURDWZRKLFXCPP-GFCCVEGCSA-N -1 3 390.400 0.679 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824109448 607976167 /nfs/dbraw/zinc/97/61/67/607976167.db2.gz QURDWZRKLFXCPP-GFCCVEGCSA-N -1 3 390.400 0.679 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000824108703 607976202 /nfs/dbraw/zinc/97/62/02/607976202.db2.gz JKWQJNMEWMEILP-LBPRGKRZSA-N -1 3 390.400 0.679 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000824108703 607976203 /nfs/dbraw/zinc/97/62/03/607976203.db2.gz JKWQJNMEWMEILP-LBPRGKRZSA-N -1 3 390.400 0.679 20 0 GCADHM COCC(=O)N(C)CC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826147828 607979652 /nfs/dbraw/zinc/97/96/52/607979652.db2.gz NJXDAZROYVZRJJ-UHFFFAOYSA-N -1 3 387.356 0.065 20 0 GCADHM COCC(=O)N(C)CC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826147828 607979653 /nfs/dbraw/zinc/97/96/53/607979653.db2.gz NJXDAZROYVZRJJ-UHFFFAOYSA-N -1 3 387.356 0.065 20 0 GCADHM CCn1cc(C(=O)C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825799941 607980341 /nfs/dbraw/zinc/98/03/41/607980341.db2.gz WYUZJAPRWNKYMR-UHFFFAOYSA-N -1 3 383.368 0.125 20 0 GCADHM CCn1cc(C(=O)C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825799941 607980342 /nfs/dbraw/zinc/98/03/42/607980342.db2.gz WYUZJAPRWNKYMR-UHFFFAOYSA-N -1 3 383.368 0.125 20 0 GCADHM Cc1c(CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cnn1C ZINC000826236711 607981182 /nfs/dbraw/zinc/98/11/82/607981182.db2.gz ZUZWGQKTVNJRML-UHFFFAOYSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1c(CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cnn1C ZINC000826236711 607981183 /nfs/dbraw/zinc/98/11/83/607981183.db2.gz ZUZWGQKTVNJRML-UHFFFAOYSA-N -1 3 382.432 0.335 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824670495 607982459 /nfs/dbraw/zinc/98/24/59/607982459.db2.gz QBBHXKFYXQIDDT-GOSISDBHSA-N -1 3 384.371 0.968 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824670495 607982460 /nfs/dbraw/zinc/98/24/60/607982460.db2.gz QBBHXKFYXQIDDT-GOSISDBHSA-N -1 3 384.371 0.968 20 0 GCADHM COCC1(O)CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000826152832 607983406 /nfs/dbraw/zinc/98/34/06/607983406.db2.gz PAPBSKOPMXRFFW-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM COCC1(O)CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000826152832 607983407 /nfs/dbraw/zinc/98/34/07/607983407.db2.gz PAPBSKOPMXRFFW-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM c1cc(CNc2ccc(-c3nnn[n-]3)nn2)cc(OCCN2CCOCC2)c1 ZINC000826516522 607990354 /nfs/dbraw/zinc/99/03/54/607990354.db2.gz NUEHUPJFPRXWJQ-UHFFFAOYSA-N -1 3 382.428 0.980 20 0 GCADHM COCC1(O)CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000826153596 607991110 /nfs/dbraw/zinc/99/11/10/607991110.db2.gz UHNQYFCQYHCQFR-LBPRGKRZSA-N -1 3 378.458 0.507 20 0 GCADHM COCC1(O)CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000826153596 607991111 /nfs/dbraw/zinc/99/11/11/607991111.db2.gz UHNQYFCQYHCQFR-LBPRGKRZSA-N -1 3 378.458 0.507 20 0 GCADHM COCC1(O)CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000826153433 607991164 /nfs/dbraw/zinc/99/11/64/607991164.db2.gz NKUDRUXZHHIIMV-LLVKDONJSA-N -1 3 378.433 0.877 20 0 GCADHM COCC1(O)CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000826153433 607991165 /nfs/dbraw/zinc/99/11/65/607991165.db2.gz NKUDRUXZHHIIMV-LLVKDONJSA-N -1 3 378.433 0.877 20 0 GCADHM CCS(=O)(=O)CCN(C)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825662801 607991705 /nfs/dbraw/zinc/99/17/05/607991705.db2.gz BMGVNSMWIZDZCO-UHFFFAOYSA-N -1 3 386.865 0.825 20 0 GCADHM CCS(=O)(=O)CCN(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825662801 607991706 /nfs/dbraw/zinc/99/17/06/607991706.db2.gz BMGVNSMWIZDZCO-UHFFFAOYSA-N -1 3 386.865 0.825 20 0 GCADHM Cc1c(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cnn1C ZINC000826236618 608000216 /nfs/dbraw/zinc/00/02/16/608000216.db2.gz UTIOFTBKUWEENN-UHFFFAOYSA-N -1 3 378.400 0.607 20 0 GCADHM Cc1c(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cnn1C ZINC000826236618 608000217 /nfs/dbraw/zinc/00/02/17/608000217.db2.gz UTIOFTBKUWEENN-UHFFFAOYSA-N -1 3 378.400 0.607 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCN([C@H]2CCOC2)CC1 ZINC000826494822 608001378 /nfs/dbraw/zinc/00/13/78/608001378.db2.gz QPCRWSFPPDODTA-LBPRGKRZSA-N -1 3 398.876 0.615 20 0 GCADHM C[C@H](C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCSCC1 ZINC000824051777 608002764 /nfs/dbraw/zinc/00/27/64/608002764.db2.gz DQRIQWZCOQGZPO-LLVKDONJSA-N -1 3 376.442 0.786 20 0 GCADHM C[C@H](C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCSCC1 ZINC000824051777 608002765 /nfs/dbraw/zinc/00/27/65/608002765.db2.gz DQRIQWZCOQGZPO-LLVKDONJSA-N -1 3 376.442 0.786 20 0 GCADHM COC(=O)C1(NCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000826123326 608003046 /nfs/dbraw/zinc/00/30/46/608003046.db2.gz CSNSMUVIKGHFOS-UHFFFAOYSA-N -1 3 379.442 0.716 20 0 GCADHM COC(=O)C1(NCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000826123326 608003047 /nfs/dbraw/zinc/00/30/47/608003047.db2.gz CSNSMUVIKGHFOS-UHFFFAOYSA-N -1 3 379.442 0.716 20 0 GCADHM COC(=O)C1(NC(=O)COc2cccc(-c3nnn[n-]3)c2)CCSCC1 ZINC000826123849 608006265 /nfs/dbraw/zinc/00/62/65/608006265.db2.gz MYOOXILQYMJLNK-UHFFFAOYSA-N -1 3 377.426 0.801 20 0 GCADHM COC(=O)C1(NC(=O)COc2cccc(-c3nn[n-]n3)c2)CCSCC1 ZINC000826123849 608006266 /nfs/dbraw/zinc/00/62/66/608006266.db2.gz MYOOXILQYMJLNK-UHFFFAOYSA-N -1 3 377.426 0.801 20 0 GCADHM O=C(CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)NCCO ZINC000826411944 608006596 /nfs/dbraw/zinc/00/65/96/608006596.db2.gz UOBCLMZHXOBYLK-UHFFFAOYSA-N -1 3 398.383 0.284 20 0 GCADHM O=C(CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)NCCO ZINC000826411944 608006597 /nfs/dbraw/zinc/00/65/97/608006597.db2.gz UOBCLMZHXOBYLK-UHFFFAOYSA-N -1 3 398.383 0.284 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000825492072 608006923 /nfs/dbraw/zinc/00/69/23/608006923.db2.gz CUANFPDCOKUJNI-MRXNPFEDSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000825492072 608006924 /nfs/dbraw/zinc/00/69/24/608006924.db2.gz CUANFPDCOKUJNI-MRXNPFEDSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CCNC2=O)cc1-c1nnn[n-]1 ZINC000825532827 608007637 /nfs/dbraw/zinc/00/76/37/608007637.db2.gz XIWOBBYWMRKWOC-LBPRGKRZSA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N(C)[C@H]2CCNC2=O)cc1-c1nn[n-]n1 ZINC000825532827 608007638 /nfs/dbraw/zinc/00/76/38/608007638.db2.gz XIWOBBYWMRKWOC-LBPRGKRZSA-N -1 3 388.388 0.787 20 0 GCADHM CCS(=O)(=O)CCN(C)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000825658280 608008167 /nfs/dbraw/zinc/00/81/67/608008167.db2.gz CSDWBNUPAVKKKN-UHFFFAOYSA-N -1 3 383.430 0.147 20 0 GCADHM CCS(=O)(=O)CCN(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000825658280 608008168 /nfs/dbraw/zinc/00/81/68/608008168.db2.gz CSDWBNUPAVKKKN-UHFFFAOYSA-N -1 3 383.430 0.147 20 0 GCADHM COC[C@@H](NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000826151265 608009326 /nfs/dbraw/zinc/00/93/26/608009326.db2.gz XPJAIPWAPJYEAB-MRXNPFEDSA-N -1 3 396.407 0.676 20 0 GCADHM COC[C@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(N)=O ZINC000826150517 608009340 /nfs/dbraw/zinc/00/93/40/608009340.db2.gz GLKZJDAGNPLVJQ-ZDUSSCGKSA-N -1 3 383.368 0.284 20 0 GCADHM COC[C@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(N)=O ZINC000826150517 608009341 /nfs/dbraw/zinc/00/93/41/608009341.db2.gz GLKZJDAGNPLVJQ-ZDUSSCGKSA-N -1 3 383.368 0.284 20 0 GCADHM CN(C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)[C@@H]1CCNC1=O ZINC000825829571 608010459 /nfs/dbraw/zinc/01/04/59/608010459.db2.gz GTPLEYHBXUJUTR-CYBMUJFWSA-N -1 3 382.380 0.999 20 0 GCADHM CN(C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)[C@@H]1CCNC1=O ZINC000825829571 608010460 /nfs/dbraw/zinc/01/04/60/608010460.db2.gz GTPLEYHBXUJUTR-CYBMUJFWSA-N -1 3 382.380 0.999 20 0 GCADHM CCOC(=O)C1C(Cn2ccnc2-c2nnn[n-]2)=NC(=O)N[C@H]1c1ccccc1 ZINC000825498670 608012927 /nfs/dbraw/zinc/01/29/27/608012927.db2.gz ADOUTSGHPYEAOY-AWEZNQCLSA-N -1 3 394.395 0.935 20 0 GCADHM CCOC(=O)C1C(Cn2ccnc2-c2nn[n-]n2)=NC(=O)N[C@H]1c1ccccc1 ZINC000825498670 608012928 /nfs/dbraw/zinc/01/29/28/608012928.db2.gz ADOUTSGHPYEAOY-AWEZNQCLSA-N -1 3 394.395 0.935 20 0 GCADHM Cc1cncc(CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000826319175 608024621 /nfs/dbraw/zinc/02/46/21/608024621.db2.gz QVODFVQPHLUELZ-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM Cc1cncc(CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000826319175 608024622 /nfs/dbraw/zinc/02/46/22/608024622.db2.gz QVODFVQPHLUELZ-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM CCOC(=O)CC[C@H](C)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000825505976 608032425 /nfs/dbraw/zinc/03/24/25/608032425.db2.gz APLKNOUOYLGSJD-NSHDSACASA-N -1 3 376.421 0.705 20 0 GCADHM CCOC(=O)CC[C@H](C)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000825505976 608032426 /nfs/dbraw/zinc/03/24/26/608032426.db2.gz APLKNOUOYLGSJD-NSHDSACASA-N -1 3 376.421 0.705 20 0 GCADHM Cn1ccnc1[C@H](O)C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826364098 608033402 /nfs/dbraw/zinc/03/34/02/608033402.db2.gz KYFUPXCAYIZRFA-QGZVFWFLSA-N -1 3 396.455 0.984 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc[nH]1 ZINC000824633790 608038502 /nfs/dbraw/zinc/03/85/02/608038502.db2.gz QIYNJEYCNQETQU-MNOVXSKESA-N -1 3 389.441 0.739 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000824633790 608038503 /nfs/dbraw/zinc/03/85/03/608038503.db2.gz QIYNJEYCNQETQU-MNOVXSKESA-N -1 3 389.441 0.739 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824670179 608038644 /nfs/dbraw/zinc/03/86/44/608038644.db2.gz LPPFURFKXRDWLP-GFCCVEGCSA-N -1 3 376.270 0.374 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824670179 608038645 /nfs/dbraw/zinc/03/86/45/608038645.db2.gz LPPFURFKXRDWLP-GFCCVEGCSA-N -1 3 376.270 0.374 20 0 GCADHM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000825499298 608038732 /nfs/dbraw/zinc/03/87/32/608038732.db2.gz JZDPGNCTZSKHTA-SNVBAGLBSA-N -1 3 390.400 0.519 20 0 GCADHM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000825499298 608038733 /nfs/dbraw/zinc/03/87/33/608038733.db2.gz JZDPGNCTZSKHTA-SNVBAGLBSA-N -1 3 390.400 0.519 20 0 GCADHM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825508551 608038853 /nfs/dbraw/zinc/03/88/53/608038853.db2.gz ZUYKGTAUMOEZSF-SECBINFHSA-N -1 3 378.364 0.792 20 0 GCADHM CCOC(=O)CC[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825508551 608038854 /nfs/dbraw/zinc/03/88/54/608038854.db2.gz ZUYKGTAUMOEZSF-SECBINFHSA-N -1 3 378.364 0.792 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825499648 608040337 /nfs/dbraw/zinc/04/03/37/608040337.db2.gz PYYZGZTXIVNNPJ-NSHDSACASA-N -1 3 398.427 0.954 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825499648 608040338 /nfs/dbraw/zinc/04/03/38/608040338.db2.gz PYYZGZTXIVNNPJ-NSHDSACASA-N -1 3 398.427 0.954 20 0 GCADHM C[C@](O)(CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(F)(F)F ZINC000824670503 608041840 /nfs/dbraw/zinc/04/18/40/608041840.db2.gz QDAMXAFPODRCFK-AWEZNQCLSA-N -1 3 396.333 0.678 20 0 GCADHM C[C@](O)(CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(F)(F)F ZINC000824670503 608041841 /nfs/dbraw/zinc/04/18/41/608041841.db2.gz QDAMXAFPODRCFK-AWEZNQCLSA-N -1 3 396.333 0.678 20 0 GCADHM O=C1CCCN1[C@H]1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826480675 608045558 /nfs/dbraw/zinc/04/55/58/608045558.db2.gz LVUJKKGBLSCZFM-AWEZNQCLSA-N -1 3 390.469 0.337 20 0 GCADHM O=C1CCCN1[C@H]1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826480675 608045559 /nfs/dbraw/zinc/04/55/59/608045559.db2.gz LVUJKKGBLSCZFM-AWEZNQCLSA-N -1 3 390.469 0.337 20 0 GCADHM CCCCS(=O)(=O)NCC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825296707 608046297 /nfs/dbraw/zinc/04/62/97/608046297.db2.gz TUDVTLDVUGNYMS-UHFFFAOYSA-N -1 3 382.446 0.081 20 0 GCADHM O[C@H](CNc1ccc(-c2nn[n-]n2)cc1Br)CN1CCOCC1 ZINC000826502946 608047645 /nfs/dbraw/zinc/04/76/45/608047645.db2.gz MZLHDIGHBTVRGH-LLVKDONJSA-N -1 3 383.250 0.734 20 0 GCADHM O=c1c2c(ncn1CCS(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CCCC2 ZINC000826501171 608048450 /nfs/dbraw/zinc/04/84/50/608048450.db2.gz CRTLDSILJRFBSG-UHFFFAOYSA-N -1 3 386.437 0.776 20 0 GCADHM O=c1c2c(ncn1CCS(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CCCC2 ZINC000826501171 608048451 /nfs/dbraw/zinc/04/84/51/608048451.db2.gz CRTLDSILJRFBSG-UHFFFAOYSA-N -1 3 386.437 0.776 20 0 GCADHM O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826432337 608048921 /nfs/dbraw/zinc/04/89/21/608048921.db2.gz XYPWTGJJAUGRLI-KGLIPLIRSA-N -1 3 392.441 0.137 20 0 GCADHM O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826432337 608048922 /nfs/dbraw/zinc/04/89/22/608048922.db2.gz XYPWTGJJAUGRLI-KGLIPLIRSA-N -1 3 392.441 0.137 20 0 GCADHM O=C(N[C@@H]1CCCCNC1=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826482941 608049118 /nfs/dbraw/zinc/04/91/18/608049118.db2.gz VTMHBAJSBQMUKA-CABCVRRESA-N -1 3 385.428 0.618 20 0 GCADHM O=C(N[C@@H]1CCCCNC1=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826482941 608049119 /nfs/dbraw/zinc/04/91/19/608049119.db2.gz VTMHBAJSBQMUKA-CABCVRRESA-N -1 3 385.428 0.618 20 0 GCADHM O=c1n(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nc2ccccn21 ZINC000826501676 608055076 /nfs/dbraw/zinc/05/50/76/608055076.db2.gz BKYYZLRYYYUGOG-HNNXBMFYSA-N -1 3 378.396 0.707 20 0 GCADHM O=c1n(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nc2ccccn21 ZINC000826501676 608055077 /nfs/dbraw/zinc/05/50/77/608055077.db2.gz BKYYZLRYYYUGOG-HNNXBMFYSA-N -1 3 378.396 0.707 20 0 GCADHM O=c1n(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nc2n1CCCC2 ZINC000826502031 608055158 /nfs/dbraw/zinc/05/51/58/608055158.db2.gz RLMBVVPWBKVDLK-OAHLLOKOSA-N -1 3 382.428 0.592 20 0 GCADHM O=c1n(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nc2n1CCCC2 ZINC000826502031 608055159 /nfs/dbraw/zinc/05/51/59/608055159.db2.gz RLMBVVPWBKVDLK-OAHLLOKOSA-N -1 3 382.428 0.592 20 0 GCADHM CCn1cnc(S(=O)(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000825804721 608056488 /nfs/dbraw/zinc/05/64/88/608056488.db2.gz FDYDUXRBQIULNS-AWEZNQCLSA-N -1 3 389.441 0.845 20 0 GCADHM CCn1cnc(S(=O)(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000825804721 608056489 /nfs/dbraw/zinc/05/64/89/608056489.db2.gz FDYDUXRBQIULNS-AWEZNQCLSA-N -1 3 389.441 0.845 20 0 GCADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826104164 608056529 /nfs/dbraw/zinc/05/65/29/608056529.db2.gz QXZLQNQUZGROQZ-BXUZGUMPSA-N -1 3 395.441 0.379 20 0 GCADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826104164 608056530 /nfs/dbraw/zinc/05/65/30/608056530.db2.gz QXZLQNQUZGROQZ-BXUZGUMPSA-N -1 3 395.441 0.379 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826104238 608057321 /nfs/dbraw/zinc/05/73/21/608057321.db2.gz SJGSGAMTWWZSPM-MRVPVSSYSA-N -1 3 395.775 0.995 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826104238 608057322 /nfs/dbraw/zinc/05/73/22/608057322.db2.gz SJGSGAMTWWZSPM-MRVPVSSYSA-N -1 3 395.775 0.995 20 0 GCADHM CC(C)NC(=O)CCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824301211 608061122 /nfs/dbraw/zinc/06/11/22/608061122.db2.gz SQGYTHOVVOJPSQ-HNNXBMFYSA-N -1 3 387.444 0.864 20 0 GCADHM CC(C)NC(=O)CCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824301211 608061123 /nfs/dbraw/zinc/06/11/23/608061123.db2.gz SQGYTHOVVOJPSQ-HNNXBMFYSA-N -1 3 387.444 0.864 20 0 GCADHM CN1CCO[C@H](CNC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000826044225 608062584 /nfs/dbraw/zinc/06/25/84/608062584.db2.gz CXAWIDUKJXCLHS-CVEARBPZSA-N -1 3 387.444 0.280 20 0 GCADHM CN1CCO[C@H](CNC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000826044225 608062585 /nfs/dbraw/zinc/06/25/85/608062585.db2.gz CXAWIDUKJXCLHS-CVEARBPZSA-N -1 3 387.444 0.280 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1=O ZINC000824296653 608063228 /nfs/dbraw/zinc/06/32/28/608063228.db2.gz JWNZSGNVNPDLRH-HOTGVXAUSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1=O ZINC000824296653 608063229 /nfs/dbraw/zinc/06/32/29/608063229.db2.gz JWNZSGNVNPDLRH-HOTGVXAUSA-N -1 3 399.455 0.959 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824448663 608063402 /nfs/dbraw/zinc/06/34/02/608063402.db2.gz JUFZHRPYWIQCNR-FZMZJTMJSA-N -1 3 394.457 0.383 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824448663 608063403 /nfs/dbraw/zinc/06/34/03/608063403.db2.gz JUFZHRPYWIQCNR-FZMZJTMJSA-N -1 3 394.457 0.383 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824040463 608066832 /nfs/dbraw/zinc/06/68/32/608066832.db2.gz QIVSYIKSMGSCLI-KBRIMQKVSA-N -1 3 386.456 0.924 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824040463 608066833 /nfs/dbraw/zinc/06/68/33/608066833.db2.gz QIVSYIKSMGSCLI-KBRIMQKVSA-N -1 3 386.456 0.924 20 0 GCADHM Cc1cc(NC(=O)CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC000826270274 608068133 /nfs/dbraw/zinc/06/81/33/608068133.db2.gz SRVWDJSDIVQCGF-HNNXBMFYSA-N -1 3 382.428 0.921 20 0 GCADHM Cc1cc(NC(=O)CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC000826270274 608068134 /nfs/dbraw/zinc/06/81/34/608068134.db2.gz SRVWDJSDIVQCGF-HNNXBMFYSA-N -1 3 382.428 0.921 20 0 GCADHM Cc1cc(NC(=O)CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC000826270275 608068300 /nfs/dbraw/zinc/06/83/00/608068300.db2.gz SRVWDJSDIVQCGF-OAHLLOKOSA-N -1 3 382.428 0.921 20 0 GCADHM Cc1cc(NC(=O)CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC000826270275 608068301 /nfs/dbraw/zinc/06/83/01/608068301.db2.gz SRVWDJSDIVQCGF-OAHLLOKOSA-N -1 3 382.428 0.921 20 0 GCADHM CC(C)CNC(=O)NC(=O)CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824267079 608070255 /nfs/dbraw/zinc/07/02/55/608070255.db2.gz XAGLRIYBVAJXGO-HNNXBMFYSA-N -1 3 387.444 0.722 20 0 GCADHM CC(C)CNC(=O)NC(=O)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824267079 608070256 /nfs/dbraw/zinc/07/02/56/608070256.db2.gz XAGLRIYBVAJXGO-HNNXBMFYSA-N -1 3 387.444 0.722 20 0 GCADHM COCCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826159649 608072548 /nfs/dbraw/zinc/07/25/48/608072548.db2.gz MRXAHIGXQUYYLP-UHFFFAOYSA-N -1 3 384.400 0.370 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000826330271 608074652 /nfs/dbraw/zinc/07/46/52/608074652.db2.gz MPGPBYKQNYIWIR-HNNXBMFYSA-N -1 3 394.395 0.504 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000826330271 608074653 /nfs/dbraw/zinc/07/46/53/608074653.db2.gz MPGPBYKQNYIWIR-HNNXBMFYSA-N -1 3 394.395 0.504 20 0 GCADHM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826398497 608082057 /nfs/dbraw/zinc/08/20/57/608082057.db2.gz YATFQCGTVMQCIA-HOCLYGCPSA-N -1 3 382.424 0.778 20 0 GCADHM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826398497 608082058 /nfs/dbraw/zinc/08/20/58/608082058.db2.gz YATFQCGTVMQCIA-HOCLYGCPSA-N -1 3 382.424 0.778 20 0 GCADHM O=C(CNC(=O)c1ccccn1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826433113 608086516 /nfs/dbraw/zinc/08/65/16/608086516.db2.gz VEPLHWIAISXBSB-INIZCTEOSA-N -1 3 393.407 0.592 20 0 GCADHM O=C(CNC(=O)c1ccccn1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826433113 608086517 /nfs/dbraw/zinc/08/65/17/608086517.db2.gz VEPLHWIAISXBSB-INIZCTEOSA-N -1 3 393.407 0.592 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824448386 608086804 /nfs/dbraw/zinc/08/68/04/608086804.db2.gz HLUBHGZKCTYVOS-SMDDNHRTSA-N -1 3 379.442 0.447 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824448386 608086805 /nfs/dbraw/zinc/08/68/05/608086805.db2.gz HLUBHGZKCTYVOS-SMDDNHRTSA-N -1 3 379.442 0.447 20 0 GCADHM CS[C@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N(C)C ZINC000826226968 608087862 /nfs/dbraw/zinc/08/78/62/608087862.db2.gz JGWYFWSHCFOYLX-GJZGRUSLSA-N -1 3 396.542 0.618 20 0 GCADHM CN(CCCn1ccnc1)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825937742 608087966 /nfs/dbraw/zinc/08/79/66/608087966.db2.gz JTRNCYMYJSYTKK-UHFFFAOYSA-N -1 3 375.458 0.859 20 0 GCADHM CN(CCCn1ccnc1)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825937742 608087967 /nfs/dbraw/zinc/08/79/67/608087967.db2.gz JTRNCYMYJSYTKK-UHFFFAOYSA-N -1 3 375.458 0.859 20 0 GCADHM CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)[nH]1 ZINC000825745555 608097975 /nfs/dbraw/zinc/09/79/75/608097975.db2.gz NKEQQXHMCVMXQR-ZCFIWIBFSA-N -1 3 384.372 0.865 20 0 GCADHM C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824715917 608103102 /nfs/dbraw/zinc/10/31/02/608103102.db2.gz VBHAWVZMZXIWMV-ZJUUUORDSA-N -1 3 379.398 0.172 20 0 GCADHM C[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824715917 608103103 /nfs/dbraw/zinc/10/31/03/608103103.db2.gz VBHAWVZMZXIWMV-ZJUUUORDSA-N -1 3 379.398 0.172 20 0 GCADHM CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000825153181 608103594 /nfs/dbraw/zinc/10/35/94/608103594.db2.gz HAPYQKLYQGAMAY-SKDRFNHKSA-N -1 3 397.413 0.028 20 0 GCADHM CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000825153181 608103595 /nfs/dbraw/zinc/10/35/95/608103595.db2.gz HAPYQKLYQGAMAY-SKDRFNHKSA-N -1 3 397.413 0.028 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)cn1 ZINC000826394518 608105061 /nfs/dbraw/zinc/10/50/61/608105061.db2.gz MYLJLKXEYGKGFT-UHFFFAOYSA-N -1 3 399.392 0.519 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)cn1 ZINC000826394518 608105062 /nfs/dbraw/zinc/10/50/62/608105062.db2.gz MYLJLKXEYGKGFT-UHFFFAOYSA-N -1 3 399.392 0.519 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cn1 ZINC000826394610 608105145 /nfs/dbraw/zinc/10/51/45/608105145.db2.gz QKRCWXJTZIEDKB-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM NC(=O)N[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000826392416 608106561 /nfs/dbraw/zinc/10/65/61/608106561.db2.gz XRPYJRSYTKREIJ-MRVPVSSYSA-N -1 3 382.331 0.743 20 0 GCADHM NC(=O)N[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000826392416 608106562 /nfs/dbraw/zinc/10/65/62/608106562.db2.gz XRPYJRSYTKREIJ-MRVPVSSYSA-N -1 3 382.331 0.743 20 0 GCADHM O=C(c1cccnc1)N1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826474890 608108191 /nfs/dbraw/zinc/10/81/91/608108191.db2.gz KCSLPTQQKFLFQL-UHFFFAOYSA-N -1 3 398.814 0.908 20 0 GCADHM O=C(c1cccnc1)N1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826474890 608108192 /nfs/dbraw/zinc/10/81/92/608108192.db2.gz KCSLPTQQKFLFQL-UHFFFAOYSA-N -1 3 398.814 0.908 20 0 GCADHM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CN1 ZINC000826479140 608111936 /nfs/dbraw/zinc/11/19/36/608111936.db2.gz RJZMOWYBFBDCQA-DGCLKSJQSA-N -1 3 394.432 0.685 20 0 GCADHM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CN1 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/nfs/dbraw/zinc/12/10/06/608121006.db2.gz DQSMYCUREOXOKW-RISCZKNCSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000824632778 608121007 /nfs/dbraw/zinc/12/10/07/608121007.db2.gz DQSMYCUREOXOKW-RISCZKNCSA-N -1 3 390.469 0.792 20 0 GCADHM O=C1NC2(CO1)CCN(S(=O)(=O)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826482935 608125332 /nfs/dbraw/zinc/12/53/32/608125332.db2.gz VMPAOSGILHFVMF-UHFFFAOYSA-N -1 3 378.414 0.271 20 0 GCADHM O=C1NC2(CO1)CCN(S(=O)(=O)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826482935 608125333 /nfs/dbraw/zinc/12/53/33/608125333.db2.gz VMPAOSGILHFVMF-UHFFFAOYSA-N -1 3 378.414 0.271 20 0 GCADHM O=C1NC2(CO1)CCN(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000826482454 608125416 /nfs/dbraw/zinc/12/54/16/608125416.db2.gz FEZNKRQMFACGBN-UHFFFAOYSA-N -1 3 382.377 0.269 20 0 GCADHM C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824448482 608130242 /nfs/dbraw/zinc/13/02/42/608130242.db2.gz ILRJVBLYICGRSC-JGTBNHKDSA-N -1 3 391.501 0.461 20 0 GCADHM C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824448482 608130243 /nfs/dbraw/zinc/13/02/43/608130243.db2.gz ILRJVBLYICGRSC-JGTBNHKDSA-N -1 3 391.501 0.461 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000826158259 608130565 /nfs/dbraw/zinc/13/05/65/608130565.db2.gz HUBLVDSOXPOJSL-GWQKEKGPSA-N -1 3 380.474 0.792 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000826158259 608130566 /nfs/dbraw/zinc/13/05/66/608130566.db2.gz HUBLVDSOXPOJSL-GWQKEKGPSA-N -1 3 380.474 0.792 20 0 GCADHM CCn1cc(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OCCOC)cn1 ZINC000825799271 608136997 /nfs/dbraw/zinc/13/69/97/608136997.db2.gz HHJRNUTYGPHLAV-UHFFFAOYSA-N -1 3 385.384 0.930 20 0 GCADHM CCn1cc(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OCCOC)cn1 ZINC000825799271 608136998 /nfs/dbraw/zinc/13/69/98/608136998.db2.gz HHJRNUTYGPHLAV-UHFFFAOYSA-N -1 3 385.384 0.930 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cnc(C(=O)OC)cn1 ZINC000826162194 608137744 /nfs/dbraw/zinc/13/77/44/608137744.db2.gz ROVJSSOBDWODNS-UHFFFAOYSA-N -1 3 399.367 0.721 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCN1CCOC1=O ZINC000826161373 608137832 /nfs/dbraw/zinc/13/78/32/608137832.db2.gz FFDMXZIIIPYFDF-UHFFFAOYSA-N -1 3 376.373 0.673 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCN1CCOC1=O ZINC000826161373 608137833 /nfs/dbraw/zinc/13/78/33/608137833.db2.gz FFDMXZIIIPYFDF-UHFFFAOYSA-N -1 3 376.373 0.673 20 0 GCADHM CC(C)(C)n1cnc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000824152402 608139218 /nfs/dbraw/zinc/13/92/18/608139218.db2.gz DYUBIFFLDFLFEL-UHFFFAOYSA-N -1 3 387.379 0.607 20 0 GCADHM CC(C)(C)n1cnc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000824152402 608139219 /nfs/dbraw/zinc/13/92/19/608139219.db2.gz DYUBIFFLDFLFEL-UHFFFAOYSA-N -1 3 387.379 0.607 20 0 GCADHM O=C(NCCCn1ccnn1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826437497 608144240 /nfs/dbraw/zinc/14/42/40/608144240.db2.gz NYVALHPQERSWFI-UHFFFAOYSA-N -1 3 375.780 0.257 20 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608154264 /nfs/dbraw/zinc/15/42/64/608154264.db2.gz KYUIOFVHPWIQCG-VIFPVBQESA-N -1 3 377.474 0.812 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1-c1nnn[n-]1 ZINC000826302621 608158663 /nfs/dbraw/zinc/15/86/63/608158663.db2.gz OCZIGSSFAKGODT-WBMJQRKESA-N -1 3 379.442 0.792 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000826302621 608158665 /nfs/dbraw/zinc/15/86/65/608158665.db2.gz OCZIGSSFAKGODT-WBMJQRKESA-N -1 3 379.442 0.792 20 0 GCADHM O=S(=O)(N[C@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826488844 608159512 /nfs/dbraw/zinc/15/95/12/608159512.db2.gz AFANLUGJBRAATQ-XHDPSFHLSA-N -1 3 383.405 0.622 20 0 GCADHM CCc1nn(C)cc1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825759462 608160062 /nfs/dbraw/zinc/16/00/62/608160062.db2.gz IJOIIUUMNRSHDX-UHFFFAOYSA-N -1 3 381.444 0.956 20 0 GCADHM CCc1nn(C)cc1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825759462 608160063 /nfs/dbraw/zinc/16/00/63/608160063.db2.gz IJOIIUUMNRSHDX-UHFFFAOYSA-N -1 3 381.444 0.956 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476534 608161678 /nfs/dbraw/zinc/16/16/78/608161678.db2.gz MVZDTMKFPAWPLT-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476534 608161679 /nfs/dbraw/zinc/16/16/79/608161679.db2.gz MVZDTMKFPAWPLT-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)COc3ccc(-c4nn[n-]n4)cc3)cc2)c1=O ZINC000826365478 608165323 /nfs/dbraw/zinc/16/53/23/608165323.db2.gz PNWYTZQBNCUAIW-UHFFFAOYSA-N -1 3 392.379 0.769 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826412998 608166819 /nfs/dbraw/zinc/16/68/19/608166819.db2.gz MLILZGCFWUNKAI-IAGOWNOFSA-N -1 3 382.424 0.879 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826413357 608166884 /nfs/dbraw/zinc/16/68/84/608166884.db2.gz BRDPPFRQGSYNMR-HUUCEWRRSA-N -1 3 383.412 0.274 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826413357 608166885 /nfs/dbraw/zinc/16/68/85/608166885.db2.gz BRDPPFRQGSYNMR-HUUCEWRRSA-N -1 3 383.412 0.274 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000825476246 608167140 /nfs/dbraw/zinc/16/71/40/608167140.db2.gz DEUUWEBYUQIQKS-NWDGAFQWSA-N -1 3 394.457 0.174 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000825476246 608167142 /nfs/dbraw/zinc/16/71/42/608167142.db2.gz DEUUWEBYUQIQKS-NWDGAFQWSA-N -1 3 394.457 0.174 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000825476247 608167495 /nfs/dbraw/zinc/16/74/95/608167495.db2.gz DEUUWEBYUQIQKS-RYUDHWBXSA-N -1 3 394.457 0.174 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000825476247 608167496 /nfs/dbraw/zinc/16/74/96/608167496.db2.gz DEUUWEBYUQIQKS-RYUDHWBXSA-N -1 3 394.457 0.174 20 0 GCADHM C[C@@H](NC(=O)N(CCO)CCN1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824491287 608167518 /nfs/dbraw/zinc/16/75/18/608167518.db2.gz SQLGUUGVUZEWFL-CQSZACIVSA-N -1 3 389.460 0.264 20 0 GCADHM C[C@@H](NC(=O)N(CCO)CCN1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824491287 608167519 /nfs/dbraw/zinc/16/75/19/608167519.db2.gz SQLGUUGVUZEWFL-CQSZACIVSA-N -1 3 389.460 0.264 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476961 608167778 /nfs/dbraw/zinc/16/77/78/608167778.db2.gz ZOBIENFIGUYCBF-CYBMUJFWSA-N -1 3 396.498 0.499 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476961 608167779 /nfs/dbraw/zinc/16/77/79/608167779.db2.gz ZOBIENFIGUYCBF-CYBMUJFWSA-N -1 3 396.498 0.499 20 0 GCADHM CN1C(=O)NC2(CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)C1=O ZINC000826018328 608167969 /nfs/dbraw/zinc/16/79/69/608167969.db2.gz VZSFAQKOLIOYHM-UHFFFAOYSA-N -1 3 391.338 0.301 20 0 GCADHM CN1C(=O)NC2(CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)C1=O ZINC000826018328 608167971 /nfs/dbraw/zinc/16/79/71/608167971.db2.gz VZSFAQKOLIOYHM-UHFFFAOYSA-N -1 3 391.338 0.301 20 0 GCADHM O=C(CN1CCN2C(=O)OCC[C@H]2C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826411245 608169336 /nfs/dbraw/zinc/16/93/36/608169336.db2.gz QNWOYIGSUGLUDA-NSHDSACASA-N -1 3 391.819 0.985 20 0 GCADHM O=C(CN1CCN2C(=O)OCC[C@H]2C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826411245 608169337 /nfs/dbraw/zinc/16/93/37/608169337.db2.gz QNWOYIGSUGLUDA-NSHDSACASA-N -1 3 391.819 0.985 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CC(C)(C)S(C)(=O)=O ZINC000826116651 608169393 /nfs/dbraw/zinc/16/93/93/608169393.db2.gz COYVPORAZHUYRJ-CYBMUJFWSA-N -1 3 381.458 0.836 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CC(C)(C)S(C)(=O)=O ZINC000826116651 608169395 /nfs/dbraw/zinc/16/93/95/608169395.db2.gz COYVPORAZHUYRJ-CYBMUJFWSA-N -1 3 381.458 0.836 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826399175 608171310 /nfs/dbraw/zinc/17/13/10/608171310.db2.gz OOGOPEKFBDGTDN-CVEARBPZSA-N -1 3 397.439 0.889 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826399177 608171538 /nfs/dbraw/zinc/17/15/38/608171538.db2.gz OOGOPEKFBDGTDN-HZPDHXFCSA-N -1 3 397.439 0.889 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826399176 608171586 /nfs/dbraw/zinc/17/15/86/608171586.db2.gz OOGOPEKFBDGTDN-HOTGVXAUSA-N -1 3 397.439 0.889 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)Cn1nnnc1C(C)C ZINC000825793372 608174368 /nfs/dbraw/zinc/17/43/68/608174368.db2.gz RTHKLYCOWDRRFI-UHFFFAOYSA-N -1 3 381.404 0.985 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)Cn1nnnc1C(C)C ZINC000825793372 608174369 /nfs/dbraw/zinc/17/43/69/608174369.db2.gz RTHKLYCOWDRRFI-UHFFFAOYSA-N -1 3 381.404 0.985 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CS(=O)(=O)CCOC ZINC000825793060 608177189 /nfs/dbraw/zinc/17/71/89/608177189.db2.gz LOBSQYAGFZPLNI-UHFFFAOYSA-N -1 3 393.429 0.236 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CS(=O)(=O)CCOC ZINC000825793060 608177190 /nfs/dbraw/zinc/17/71/90/608177190.db2.gz LOBSQYAGFZPLNI-UHFFFAOYSA-N -1 3 393.429 0.236 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000825788577 608178389 /nfs/dbraw/zinc/17/83/89/608178389.db2.gz ROLSDIJEVQYILC-JTQLQIEISA-N -1 3 375.414 0.610 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC000825788577 608178390 /nfs/dbraw/zinc/17/83/90/608178390.db2.gz ROLSDIJEVQYILC-JTQLQIEISA-N -1 3 375.414 0.610 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc(C(N)=O)cn1 ZINC000825793616 608180455 /nfs/dbraw/zinc/18/04/55/608180455.db2.gz YLIOEAHICGGJHF-UHFFFAOYSA-N -1 3 377.368 0.983 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc(C(N)=O)cn1 ZINC000825793616 608180457 /nfs/dbraw/zinc/18/04/57/608180457.db2.gz YLIOEAHICGGJHF-UHFFFAOYSA-N -1 3 377.368 0.983 20 0 GCADHM O=C([C@H](O)CCc1ccccc1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826397063 608185978 /nfs/dbraw/zinc/18/59/78/608185978.db2.gz SSUYZGVINLEYRC-QGZVFWFLSA-N -1 3 393.451 0.904 20 0 GCADHM O=C([C@H](O)CCc1ccccc1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826397063 608185979 /nfs/dbraw/zinc/18/59/79/608185979.db2.gz SSUYZGVINLEYRC-QGZVFWFLSA-N -1 3 393.451 0.904 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC(C(F)F)C1 ZINC000824640631 608186651 /nfs/dbraw/zinc/18/66/51/608186651.db2.gz MPTWACKIAZPWOY-QMMMGPOBSA-N -1 3 386.384 0.257 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC(C(F)F)C1 ZINC000824640631 608186652 /nfs/dbraw/zinc/18/66/52/608186652.db2.gz MPTWACKIAZPWOY-QMMMGPOBSA-N -1 3 386.384 0.257 20 0 GCADHM O=C([C@@H](O)CCc1ccccc1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826396512 608187820 /nfs/dbraw/zinc/18/78/20/608187820.db2.gz BMBXIWACYXVUFV-KRWDZBQOSA-N -1 3 393.451 0.904 20 0 GCADHM O=C([C@@H](O)CCc1ccccc1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826396512 608187821 /nfs/dbraw/zinc/18/78/21/608187821.db2.gz BMBXIWACYXVUFV-KRWDZBQOSA-N -1 3 393.451 0.904 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1-c1nnn[n-]1 ZINC000826298960 608192287 /nfs/dbraw/zinc/19/22/87/608192287.db2.gz MFMVCIHUVYKKAG-SGTLLEGYSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000826298960 608192289 /nfs/dbraw/zinc/19/22/89/608192289.db2.gz MFMVCIHUVYKKAG-SGTLLEGYSA-N -1 3 386.412 0.568 20 0 GCADHM CC[C@H](C)N(OC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825067069 608193339 /nfs/dbraw/zinc/19/33/39/608193339.db2.gz GUXYOJRXQXFQAE-WDEREUQCSA-N -1 3 382.446 0.722 20 0 GCADHM CC[C@H](C)N(OC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825067069 608193344 /nfs/dbraw/zinc/19/33/44/608193344.db2.gz GUXYOJRXQXFQAE-WDEREUQCSA-N -1 3 382.446 0.722 20 0 GCADHM O=C([C@H](O)CCc1ccccc1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826396693 608195997 /nfs/dbraw/zinc/19/59/97/608195997.db2.gz HZBSHYJTDHJDHQ-QGZVFWFLSA-N -1 3 393.451 0.904 20 0 GCADHM O=C([C@H](O)CCc1ccccc1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826396693 608195999 /nfs/dbraw/zinc/19/59/99/608195999.db2.gz HZBSHYJTDHJDHQ-QGZVFWFLSA-N -1 3 393.451 0.904 20 0 GCADHM O=C(N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)C1(O)CCSCC1 ZINC000826426833 608197560 /nfs/dbraw/zinc/19/75/60/608197560.db2.gz XLTABUWIYAFLPA-UHFFFAOYSA-N -1 3 392.460 0.913 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](O)Cc1ccccc1 ZINC000824477929 608198588 /nfs/dbraw/zinc/19/85/88/608198588.db2.gz CYBUTKSSKHIZJO-GUYCJALGSA-N -1 3 394.435 0.705 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](O)Cc1ccccc1 ZINC000824477929 608198590 /nfs/dbraw/zinc/19/85/90/608198590.db2.gz CYBUTKSSKHIZJO-GUYCJALGSA-N -1 3 394.435 0.705 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(n2ccnn2)CC1 ZINC000826432968 608198987 /nfs/dbraw/zinc/19/89/87/608198987.db2.gz QTXNIBCYFMNFHH-UHFFFAOYSA-N -1 3 381.400 0.052 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(n2ccnn2)CC1 ZINC000826432968 608198989 /nfs/dbraw/zinc/19/89/89/608198989.db2.gz QTXNIBCYFMNFHH-UHFFFAOYSA-N -1 3 381.400 0.052 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CCO[C@@]3(CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826395242 608199012 /nfs/dbraw/zinc/19/90/12/608199012.db2.gz TUMIIDSVNSMCSD-BONVTDFDSA-N -1 3 380.430 0.264 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CCO[C@@]3(CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826395242 608199014 /nfs/dbraw/zinc/19/90/14/608199014.db2.gz TUMIIDSVNSMCSD-BONVTDFDSA-N -1 3 380.430 0.264 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000825476822 608203044 /nfs/dbraw/zinc/20/30/44/608203044.db2.gz XQVMFENANJAWJM-SECBINFHSA-N -1 3 386.384 0.299 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000825476822 608203046 /nfs/dbraw/zinc/20/30/46/608203046.db2.gz XQVMFENANJAWJM-SECBINFHSA-N -1 3 386.384 0.299 20 0 GCADHM Nc1ncncc1CNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826396642 608203570 /nfs/dbraw/zinc/20/35/70/608203570.db2.gz GNYCKMNNYSHDMR-UHFFFAOYSA-N -1 3 385.457 0.972 20 0 GCADHM Nc1ncncc1CNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826396642 608203572 /nfs/dbraw/zinc/20/35/72/608203572.db2.gz GNYCKMNNYSHDMR-UHFFFAOYSA-N -1 3 385.457 0.972 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826438155 608203595 /nfs/dbraw/zinc/20/35/95/608203595.db2.gz PLXVGPQELGJSGE-PXAZEXFGSA-N -1 3 388.432 0.311 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826438155 608203597 /nfs/dbraw/zinc/20/35/97/608203597.db2.gz PLXVGPQELGJSGE-PXAZEXFGSA-N -1 3 388.432 0.311 20 0 GCADHM CC[C@@H](CO)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000825120458 608204908 /nfs/dbraw/zinc/20/49/08/608204908.db2.gz KHETVAYEDGVIEU-JTQLQIEISA-N -1 3 393.473 0.218 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000825476927 608207065 /nfs/dbraw/zinc/20/70/65/608207065.db2.gz YXXPCSNWNCGLHC-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000825476927 608207067 /nfs/dbraw/zinc/20/70/67/608207067.db2.gz YXXPCSNWNCGLHC-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000825476213 608208954 /nfs/dbraw/zinc/20/89/54/608208954.db2.gz CGXVEECGPPWTKY-NSHDSACASA-N -1 3 379.446 0.721 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000825476213 608208956 /nfs/dbraw/zinc/20/89/56/608208956.db2.gz CGXVEECGPPWTKY-NSHDSACASA-N -1 3 379.446 0.721 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(=O)[nH]c1C ZINC000826323389 608210045 /nfs/dbraw/zinc/21/00/45/608210045.db2.gz CEJDILHCXPQCIC-CQSZACIVSA-N -1 3 381.396 0.781 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(=O)[nH]c1C ZINC000826323389 608210047 /nfs/dbraw/zinc/21/00/47/608210047.db2.gz CEJDILHCXPQCIC-CQSZACIVSA-N -1 3 381.396 0.781 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCCCc1nnc2n1CCCC2 ZINC000826417685 608210385 /nfs/dbraw/zinc/21/03/85/608210385.db2.gz AAYWFBSVINDPMA-UHFFFAOYSA-N -1 3 382.428 0.922 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCCCc1nnc2n1CCCC2 ZINC000826417685 608210386 /nfs/dbraw/zinc/21/03/86/608210386.db2.gz AAYWFBSVINDPMA-UHFFFAOYSA-N -1 3 382.428 0.922 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000825476602 608212115 /nfs/dbraw/zinc/21/21/15/608212115.db2.gz PAVABZJIXKPCSL-CYBMUJFWSA-N -1 3 396.473 0.268 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)Nc2cnccc2CO)cc1 ZINC000826395340 608214551 /nfs/dbraw/zinc/21/45/51/608214551.db2.gz XFYUHPFOUXDZJH-UHFFFAOYSA-N -1 3 377.368 0.774 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)Nc2cnccc2CO)cc1 ZINC000826395340 608214552 /nfs/dbraw/zinc/21/45/52/608214552.db2.gz XFYUHPFOUXDZJH-UHFFFAOYSA-N -1 3 377.368 0.774 20 0 GCADHM CN(C)C(=O)COc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000825841218 608217898 /nfs/dbraw/zinc/21/78/98/608217898.db2.gz UCVYGRGFTZVBPG-UHFFFAOYSA-N -1 3 396.411 0.779 20 0 GCADHM CN(C)C(=O)COc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825841218 608217900 /nfs/dbraw/zinc/21/79/00/608217900.db2.gz UCVYGRGFTZVBPG-UHFFFAOYSA-N -1 3 396.411 0.779 20 0 GCADHM CSCC[C@@H](O)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826228079 608218823 /nfs/dbraw/zinc/21/88/23/608218823.db2.gz DKMQXTCDSZYJJO-CYBMUJFWSA-N -1 3 380.449 0.768 20 0 GCADHM CSCC[C@@H](O)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826228079 608218825 /nfs/dbraw/zinc/21/88/25/608218825.db2.gz DKMQXTCDSZYJJO-CYBMUJFWSA-N -1 3 380.449 0.768 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1ccnc(-n2cccn2)c1 ZINC000826414234 608219266 /nfs/dbraw/zinc/21/92/66/608219266.db2.gz LOQLFPKNDJMRND-UHFFFAOYSA-N -1 3 376.384 0.571 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1ccnc(-n2cccn2)c1 ZINC000826414234 608219267 /nfs/dbraw/zinc/21/92/67/608219267.db2.gz LOQLFPKNDJMRND-UHFFFAOYSA-N -1 3 376.384 0.571 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCCOc1ccc2c(c1)OCO2 ZINC000826413617 608219409 /nfs/dbraw/zinc/21/94/09/608219409.db2.gz LPWRESIHXPABDV-UHFFFAOYSA-N -1 3 383.368 0.598 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCCOc1ccc2c(c1)OCO2 ZINC000826413617 608219411 /nfs/dbraw/zinc/21/94/11/608219411.db2.gz LPWRESIHXPABDV-UHFFFAOYSA-N -1 3 383.368 0.598 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000826434419 608219507 /nfs/dbraw/zinc/21/95/07/608219507.db2.gz MEIBVIZHTVJPPA-CQSZACIVSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000826434419 608219509 /nfs/dbraw/zinc/21/95/09/608219509.db2.gz MEIBVIZHTVJPPA-CQSZACIVSA-N -1 3 384.444 0.438 20 0 GCADHM CON(C)C(=O)c1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826166621 608221541 /nfs/dbraw/zinc/22/15/41/608221541.db2.gz SZYZRBTWFXDLFG-UHFFFAOYSA-N -1 3 382.384 0.946 20 0 GCADHM CON(C)C(=O)c1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826166621 608221542 /nfs/dbraw/zinc/22/15/42/608221542.db2.gz SZYZRBTWFXDLFG-UHFFFAOYSA-N -1 3 382.384 0.946 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCC(=O)N1CCc2ccccc21 ZINC000826413955 608222315 /nfs/dbraw/zinc/22/23/15/608222315.db2.gz XOQRTQRIHZELSH-UHFFFAOYSA-N -1 3 378.396 0.379 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCC(=O)N1CCc2ccccc21 ZINC000826413955 608222316 /nfs/dbraw/zinc/22/23/16/608222316.db2.gz XOQRTQRIHZELSH-UHFFFAOYSA-N -1 3 378.396 0.379 20 0 GCADHM CC(=O)Nc1cccc(OCCNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000824005579 608222503 /nfs/dbraw/zinc/22/25/03/608222503.db2.gz YEUOTIJYVPPCNT-UHFFFAOYSA-N -1 3 396.411 0.827 20 0 GCADHM CC(=O)Nc1cccc(OCCNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000824005579 608222505 /nfs/dbraw/zinc/22/25/05/608222505.db2.gz YEUOTIJYVPPCNT-UHFFFAOYSA-N -1 3 396.411 0.827 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000824449698 608223157 /nfs/dbraw/zinc/22/31/57/608223157.db2.gz OSGUOPDSQWSHTG-JTQLQIEISA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000824449698 608223158 /nfs/dbraw/zinc/22/31/58/608223158.db2.gz OSGUOPDSQWSHTG-JTQLQIEISA-N -1 3 379.446 0.098 20 0 GCADHM Cn1cc(CN2CCCN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000826360507 608223545 /nfs/dbraw/zinc/22/35/45/608223545.db2.gz NCFIPQOLZTXTII-UHFFFAOYSA-N -1 3 396.459 0.142 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCC[S@@](=O)Cc1ccccc1 ZINC000826413431 608223613 /nfs/dbraw/zinc/22/36/13/608223613.db2.gz FFGWKTBDZFYKOH-HHHXNRCGSA-N -1 3 385.453 0.739 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCC[S@@](=O)Cc1ccccc1 ZINC000826413431 608223616 /nfs/dbraw/zinc/22/36/16/608223616.db2.gz FFGWKTBDZFYKOH-HHHXNRCGSA-N -1 3 385.453 0.739 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCCC[C@H]1CN1CCOCC1 ZINC000826413359 608223652 /nfs/dbraw/zinc/22/36/52/608223652.db2.gz BSHPBEUSDAESDG-HNNXBMFYSA-N -1 3 386.460 0.387 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCCC[C@H]1CN1CCOCC1 ZINC000826413359 608223654 /nfs/dbraw/zinc/22/36/54/608223654.db2.gz BSHPBEUSDAESDG-HNNXBMFYSA-N -1 3 386.460 0.387 20 0 GCADHM CN(C)C(=O)c1cccc(CCNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000825846100 608224525 /nfs/dbraw/zinc/22/45/25/608224525.db2.gz RCMHZCVZTOAVPZ-UHFFFAOYSA-N -1 3 394.439 0.734 20 0 GCADHM CN(C)C(=O)c1cccc(CCNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000825846100 608224526 /nfs/dbraw/zinc/22/45/26/608224526.db2.gz RCMHZCVZTOAVPZ-UHFFFAOYSA-N -1 3 394.439 0.734 20 0 GCADHM COC(=O)[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1F ZINC000826103687 608226545 /nfs/dbraw/zinc/22/65/45/608226545.db2.gz KVYWWNMKQITAGC-OAHLLOKOSA-N -1 3 385.359 0.843 20 0 GCADHM COC(=O)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1F ZINC000826103687 608226546 /nfs/dbraw/zinc/22/65/46/608226546.db2.gz KVYWWNMKQITAGC-OAHLLOKOSA-N -1 3 385.359 0.843 20 0 GCADHM CN1C(=O)COc2ccc(NC(=O)CNc3ccc(-c4nnn[n-]4)cn3)cc21 ZINC000826017893 608226551 /nfs/dbraw/zinc/22/65/51/608226551.db2.gz OIKZSAMJRFGSQO-UHFFFAOYSA-N -1 3 380.368 0.668 20 0 GCADHM CN1C(=O)COc2ccc(NC(=O)CNc3ccc(-c4nn[n-]n4)cn3)cc21 ZINC000826017893 608226553 /nfs/dbraw/zinc/22/65/53/608226553.db2.gz OIKZSAMJRFGSQO-UHFFFAOYSA-N -1 3 380.368 0.668 20 0 GCADHM C[C@H](O)C(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000824678524 608234246 /nfs/dbraw/zinc/23/42/46/608234246.db2.gz NHFZYNGJGPLIAL-VIFPVBQESA-N -1 3 389.366 0.723 20 0 GCADHM C[C@H](O)C(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000824678524 608234248 /nfs/dbraw/zinc/23/42/48/608234248.db2.gz NHFZYNGJGPLIAL-VIFPVBQESA-N -1 3 389.366 0.723 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826060604 608239872 /nfs/dbraw/zinc/23/98/72/608239872.db2.gz PLZSQVQVKNWFGC-GXSJLCMTSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826060604 608239874 /nfs/dbraw/zinc/23/98/74/608239874.db2.gz PLZSQVQVKNWFGC-GXSJLCMTSA-N -1 3 384.849 0.713 20 0 GCADHM CN1C(=O)NC2(CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000826018216 608244439 /nfs/dbraw/zinc/24/44/39/608244439.db2.gz RJTZAEPHIABRHS-VOTSOKGWSA-N -1 3 381.396 0.423 20 0 GCADHM CN1C(=O)NC2(CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000826018216 608244440 /nfs/dbraw/zinc/24/44/40/608244440.db2.gz RJTZAEPHIABRHS-VOTSOKGWSA-N -1 3 381.396 0.423 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H](O)C(F)(F)F ZINC000825133986 608244547 /nfs/dbraw/zinc/24/45/47/608244547.db2.gz QZQBPXQIRWQGME-PSASIEDQSA-N -1 3 390.297 0.762 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H](O)C(F)(F)F ZINC000825133986 608244549 /nfs/dbraw/zinc/24/45/49/608244549.db2.gz QZQBPXQIRWQGME-PSASIEDQSA-N -1 3 390.297 0.762 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](O)C(F)(F)F ZINC000825133848 608244599 /nfs/dbraw/zinc/24/45/99/608244599.db2.gz QNRKYZMXKOOICF-ZJUUUORDSA-N -1 3 390.297 0.762 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](O)C(F)(F)F ZINC000825133848 608244601 /nfs/dbraw/zinc/24/46/01/608244601.db2.gz QNRKYZMXKOOICF-ZJUUUORDSA-N -1 3 390.297 0.762 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000824319626 608244797 /nfs/dbraw/zinc/24/47/97/608244797.db2.gz WFERRWARGWGQHM-UHFFFAOYSA-N -1 3 384.400 0.642 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1ccn(C)n1 ZINC000824319626 608244799 /nfs/dbraw/zinc/24/47/99/608244799.db2.gz WFERRWARGWGQHM-UHFFFAOYSA-N -1 3 384.400 0.642 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826050684 608245348 /nfs/dbraw/zinc/24/53/48/608245348.db2.gz ASOOBDWJNFHNJQ-PWSUYJOCSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826050684 608245350 /nfs/dbraw/zinc/24/53/50/608245350.db2.gz ASOOBDWJNFHNJQ-PWSUYJOCSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826050683 608245376 /nfs/dbraw/zinc/24/53/76/608245376.db2.gz ASOOBDWJNFHNJQ-JQWIXIFHSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826050683 608245378 /nfs/dbraw/zinc/24/53/78/608245378.db2.gz ASOOBDWJNFHNJQ-JQWIXIFHSA-N -1 3 391.819 0.490 20 0 GCADHM Cn1ccc(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)n1 ZINC000826362999 608246756 /nfs/dbraw/zinc/24/67/56/608246756.db2.gz RPGSEWCYSAQFLH-UHFFFAOYSA-N -1 3 392.326 0.457 20 0 GCADHM Cn1ccc(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)n1 ZINC000826362999 608246757 /nfs/dbraw/zinc/24/67/57/608246757.db2.gz RPGSEWCYSAQFLH-UHFFFAOYSA-N -1 3 392.326 0.457 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825759426 608249419 /nfs/dbraw/zinc/24/94/19/608249419.db2.gz GNLKQHHSPCBOMB-UHFFFAOYSA-N -1 3 395.420 0.789 20 0 GCADHM C[C@H](O)C(=O)N1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824679767 608249861 /nfs/dbraw/zinc/24/98/61/608249861.db2.gz VSYIAQIEGJKHDM-QMMMGPOBSA-N -1 3 399.238 0.839 20 0 GCADHM C[C@H](O)C(=O)N1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824679767 608249863 /nfs/dbraw/zinc/24/98/63/608249863.db2.gz VSYIAQIEGJKHDM-QMMMGPOBSA-N -1 3 399.238 0.839 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@]1(C)CCCOC1 ZINC000824633200 608250594 /nfs/dbraw/zinc/25/05/94/608250594.db2.gz HUHSSDBBHKCYII-BDJLRTHQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@]1(C)CCCOC1 ZINC000824633200 608250595 /nfs/dbraw/zinc/25/05/95/608250595.db2.gz HUHSSDBBHKCYII-BDJLRTHQSA-N -1 3 394.457 0.219 20 0 GCADHM Cc1cccnc1COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826307909 608252219 /nfs/dbraw/zinc/25/22/19/608252219.db2.gz AZCTVWBIFVEZQK-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM Cc1cccnc1COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826307909 608252221 /nfs/dbraw/zinc/25/22/21/608252221.db2.gz AZCTVWBIFVEZQK-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM CC[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@@H](O)C(F)(F)F ZINC000825134595 608253461 /nfs/dbraw/zinc/25/34/61/608253461.db2.gz VIZJZDOXFWYQDI-NXEZZACHSA-N -1 3 388.354 0.675 20 0 GCADHM CC[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@@H](O)C(F)(F)F ZINC000825134595 608253462 /nfs/dbraw/zinc/25/34/62/608253462.db2.gz VIZJZDOXFWYQDI-NXEZZACHSA-N -1 3 388.354 0.675 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000826411410 608254799 /nfs/dbraw/zinc/25/47/99/608254799.db2.gz XCQNLWNSPZCVDQ-MRXNPFEDSA-N -1 3 398.471 0.021 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000826411410 608254800 /nfs/dbraw/zinc/25/48/00/608254800.db2.gz XCQNLWNSPZCVDQ-MRXNPFEDSA-N -1 3 398.471 0.021 20 0 GCADHM Nc1ccc(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)nc1Cl ZINC000826395473 608255545 /nfs/dbraw/zinc/25/55/45/608255545.db2.gz DJCDVNMTXGLCFD-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Nc1ccc(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)nc1Cl ZINC000826395473 608255546 /nfs/dbraw/zinc/25/55/46/608255546.db2.gz DJCDVNMTXGLCFD-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Cc1oc(NC(=O)COC(=O)CN(C)[C@@H]2CCSC2)c(-c2nnn[n-]2)c1C ZINC000826342380 608255884 /nfs/dbraw/zinc/25/58/84/608255884.db2.gz IERZLRJYDVDIDV-LLVKDONJSA-N -1 3 394.457 0.996 20 0 GCADHM Cc1oc(NC(=O)COC(=O)CN(C)[C@@H]2CCSC2)c(-c2nn[n-]n2)c1C ZINC000826342380 608255886 /nfs/dbraw/zinc/25/58/86/608255886.db2.gz IERZLRJYDVDIDV-LLVKDONJSA-N -1 3 394.457 0.996 20 0 GCADHM CCCc1cc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)n(C)n1 ZINC000825348360 608258463 /nfs/dbraw/zinc/25/84/63/608258463.db2.gz HGAYVAJUZNLUIA-UHFFFAOYSA-N -1 3 398.431 0.115 20 0 GCADHM CCCc1cc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)n(C)n1 ZINC000825348360 608258465 /nfs/dbraw/zinc/25/84/65/608258465.db2.gz HGAYVAJUZNLUIA-UHFFFAOYSA-N -1 3 398.431 0.115 20 0 GCADHM Cn1nnnc1CCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826367085 608258850 /nfs/dbraw/zinc/25/88/50/608258850.db2.gz LHOGAPBJMPHAKZ-UHFFFAOYSA-N -1 3 395.383 0.535 20 0 GCADHM Cn1nnnc1CCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826367085 608258851 /nfs/dbraw/zinc/25/88/51/608258851.db2.gz LHOGAPBJMPHAKZ-UHFFFAOYSA-N -1 3 395.383 0.535 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826321333 608261838 /nfs/dbraw/zinc/26/18/38/608261838.db2.gz BGNXZGFORKZLGO-MRXNPFEDSA-N -1 3 396.455 0.896 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826321333 608261840 /nfs/dbraw/zinc/26/18/40/608261840.db2.gz BGNXZGFORKZLGO-MRXNPFEDSA-N -1 3 396.455 0.896 20 0 GCADHM Cn1nnnc1CCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826367087 608264609 /nfs/dbraw/zinc/26/46/09/608264609.db2.gz LJBKNNMWKRBJBS-UHFFFAOYSA-N -1 3 382.310 0.773 20 0 GCADHM Cn1nnnc1CCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826367087 608264611 /nfs/dbraw/zinc/26/46/11/608264611.db2.gz LJBKNNMWKRBJBS-UHFFFAOYSA-N -1 3 382.310 0.773 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(c3ncnc4c3cnn4C)CC2)n1 ZINC000826275111 608270920 /nfs/dbraw/zinc/27/09/20/608270920.db2.gz PATVACPVAGRGTC-UHFFFAOYSA-N -1 3 377.416 0.573 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(c3ncnc4c3cnn4C)CC2)n1 ZINC000826275111 608270922 /nfs/dbraw/zinc/27/09/22/608270922.db2.gz PATVACPVAGRGTC-UHFFFAOYSA-N -1 3 377.416 0.573 20 0 GCADHM C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824520937 608274204 /nfs/dbraw/zinc/27/42/04/608274204.db2.gz GHRMAUONLPPXCU-SNVBAGLBSA-N -1 3 384.352 0.760 20 0 GCADHM C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824520937 608274206 /nfs/dbraw/zinc/27/42/06/608274206.db2.gz GHRMAUONLPPXCU-SNVBAGLBSA-N -1 3 384.352 0.760 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826083600 608288002 /nfs/dbraw/zinc/28/80/02/608288002.db2.gz OEZBPLPAMGEUBG-GFCCVEGCSA-N -1 3 377.474 0.659 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826083600 608288004 /nfs/dbraw/zinc/28/80/04/608288004.db2.gz OEZBPLPAMGEUBG-GFCCVEGCSA-N -1 3 377.474 0.659 20 0 GCADHM CCc1nnc(N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c(-c2nnn[n-]2)c1CC ZINC000825767525 608292883 /nfs/dbraw/zinc/29/28/83/608292883.db2.gz LQYLTVRWRAPHND-SNVBAGLBSA-N -1 3 396.459 0.988 20 0 GCADHM CCc1nnc(N2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)c(-c2nn[n-]n2)c1CC ZINC000825767525 608292885 /nfs/dbraw/zinc/29/28/85/608292885.db2.gz LQYLTVRWRAPHND-SNVBAGLBSA-N -1 3 396.459 0.988 20 0 GCADHM COCCCS(=O)(=O)N1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC000826157335 608298028 /nfs/dbraw/zinc/29/80/28/608298028.db2.gz RFKYJMIYIUHKAA-UHFFFAOYSA-N -1 3 381.462 0.058 20 0 GCADHM COCCCS(=O)(=O)N1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC000826157335 608298030 /nfs/dbraw/zinc/29/80/30/608298030.db2.gz RFKYJMIYIUHKAA-UHFFFAOYSA-N -1 3 381.462 0.058 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826223420 608299993 /nfs/dbraw/zinc/29/99/93/608299993.db2.gz MIOYULQHAJFMAW-GFCCVEGCSA-N -1 3 377.474 0.976 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826223420 608299994 /nfs/dbraw/zinc/29/99/94/608299994.db2.gz MIOYULQHAJFMAW-GFCCVEGCSA-N -1 3 377.474 0.976 20 0 GCADHM Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)o1 ZINC000826292802 608300157 /nfs/dbraw/zinc/30/01/57/608300157.db2.gz MMMCUZHRYYLNIG-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)o1 ZINC000826292802 608300159 /nfs/dbraw/zinc/30/01/59/608300159.db2.gz MMMCUZHRYYLNIG-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN([C@@H]2CCOC2)CC1 ZINC000826494484 608302920 /nfs/dbraw/zinc/30/29/20/608302920.db2.gz DSLIDUMBTSWHGU-GFCCVEGCSA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN([C@@H]2CCOC2)CC1 ZINC000826494484 608302922 /nfs/dbraw/zinc/30/29/22/608302922.db2.gz DSLIDUMBTSWHGU-GFCCVEGCSA-N -1 3 382.421 0.101 20 0 GCADHM CCCn1c(C)nnc1CS(=O)(=O)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825357070 608303906 /nfs/dbraw/zinc/30/39/06/608303906.db2.gz XBSNUYHUJKMPQW-CQSZACIVSA-N -1 3 391.457 0.825 20 0 GCADHM CCCn1c(C)nnc1CS(=O)(=O)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825357070 608303908 /nfs/dbraw/zinc/30/39/08/608303908.db2.gz XBSNUYHUJKMPQW-CQSZACIVSA-N -1 3 391.457 0.825 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490749 608304100 /nfs/dbraw/zinc/30/41/00/608304100.db2.gz GKZBHEPALYMWMT-LLVKDONJSA-N -1 3 383.405 0.970 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826490709 608304403 /nfs/dbraw/zinc/30/44/03/608304403.db2.gz DSYVCHMTKPSRRI-SNVBAGLBSA-N -1 3 383.405 0.970 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCCC2)O1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826490709 608304404 /nfs/dbraw/zinc/30/44/04/608304404.db2.gz DSYVCHMTKPSRRI-SNVBAGLBSA-N -1 3 383.405 0.970 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCN3C(=O)NC[C@H]3C2)c1-c1nnn[n-]1 ZINC000826332615 608315467 /nfs/dbraw/zinc/31/54/67/608315467.db2.gz ZPDWBDATTLTGAG-AWEZNQCLSA-N -1 3 379.428 0.570 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCN3C(=O)NC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826332615 608315469 /nfs/dbraw/zinc/31/54/69/608315469.db2.gz ZPDWBDATTLTGAG-AWEZNQCLSA-N -1 3 379.428 0.570 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@](C)(O)C1 ZINC000824319282 608315756 /nfs/dbraw/zinc/31/57/56/608315756.db2.gz KUWASJZWMAHPNY-SFHVURJKSA-N -1 3 388.428 0.966 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@](C)(O)C1 ZINC000824319282 608315758 /nfs/dbraw/zinc/31/57/58/608315758.db2.gz KUWASJZWMAHPNY-SFHVURJKSA-N -1 3 388.428 0.966 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCS(=O)(=O)C[C@@H]2C)c1-c1nnn[n-]1 ZINC000826332441 608315988 /nfs/dbraw/zinc/31/59/88/608315988.db2.gz UMUPQEIPINDSLN-LBPRGKRZSA-N -1 3 387.469 0.980 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826277058 608317216 /nfs/dbraw/zinc/31/72/16/608317216.db2.gz HRKURFIITLKRLU-UHFFFAOYSA-N -1 3 393.398 0.913 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826277058 608317218 /nfs/dbraw/zinc/31/72/18/608317218.db2.gz HRKURFIITLKRLU-UHFFFAOYSA-N -1 3 393.398 0.913 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CO)Cc1ccc(F)cc1 ZINC000826452389 608317431 /nfs/dbraw/zinc/31/74/31/608317431.db2.gz RKOSSTVZNADSNN-HNNXBMFYSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CO)Cc1ccc(F)cc1 ZINC000826452389 608317434 /nfs/dbraw/zinc/31/74/34/608317434.db2.gz RKOSSTVZNADSNN-HNNXBMFYSA-N -1 3 384.371 0.664 20 0 GCADHM Cc1sc(NC(=O)CN2CCSC[C@H]2C(N)=O)c(-c2nnn[n-]2)c1C ZINC000826349752 608321991 /nfs/dbraw/zinc/32/19/91/608321991.db2.gz TUMPPVCWTUHRRP-VIFPVBQESA-N -1 3 381.487 0.386 20 0 GCADHM Cc1sc(NC(=O)CN2CCSC[C@H]2C(N)=O)c(-c2nn[n-]n2)c1C ZINC000826349752 608321992 /nfs/dbraw/zinc/32/19/92/608321992.db2.gz TUMPPVCWTUHRRP-VIFPVBQESA-N -1 3 381.487 0.386 20 0 GCADHM O=C1NCCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000826482523 608324736 /nfs/dbraw/zinc/32/47/36/608324736.db2.gz HPNMUYOZZAURDL-UHFFFAOYSA-N -1 3 398.448 0.890 20 0 GCADHM O=C1NCCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000826482523 608324738 /nfs/dbraw/zinc/32/47/38/608324738.db2.gz HPNMUYOZZAURDL-UHFFFAOYSA-N -1 3 398.448 0.890 20 0 GCADHM CNC(=O)C1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826060248 608327048 /nfs/dbraw/zinc/32/70/48/608327048.db2.gz JESUQXLQKIEDNC-UHFFFAOYSA-N -1 3 382.421 0.294 20 0 GCADHM CNC(=O)C1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826060248 608327050 /nfs/dbraw/zinc/32/70/50/608327050.db2.gz JESUQXLQKIEDNC-UHFFFAOYSA-N -1 3 382.421 0.294 20 0 GCADHM CNS(=O)(=O)CC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826090783 608327694 /nfs/dbraw/zinc/32/76/94/608327694.db2.gz OXKXIZUYFIWKKA-UHFFFAOYSA-N -1 3 386.437 0.699 20 0 GCADHM CNS(=O)(=O)CC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826090783 608327696 /nfs/dbraw/zinc/32/76/96/608327696.db2.gz OXKXIZUYFIWKKA-UHFFFAOYSA-N -1 3 386.437 0.699 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCCN(CC(F)F)CC1 ZINC000826438121 608328013 /nfs/dbraw/zinc/32/80/13/608328013.db2.gz NWIARBLOPYZGDZ-UHFFFAOYSA-N -1 3 395.418 0.656 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCCN(CC(F)F)CC1 ZINC000826438121 608328015 /nfs/dbraw/zinc/32/80/15/608328015.db2.gz NWIARBLOPYZGDZ-UHFFFAOYSA-N -1 3 395.418 0.656 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCCN(CC(F)F)CC1 ZINC000826438049 608329116 /nfs/dbraw/zinc/32/91/16/608329116.db2.gz KRGBJXGJGIBOHO-UHFFFAOYSA-N -1 3 395.418 0.656 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCCN(CC(F)F)CC1 ZINC000826438049 608329118 /nfs/dbraw/zinc/32/91/18/608329118.db2.gz KRGBJXGJGIBOHO-UHFFFAOYSA-N -1 3 395.418 0.656 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC(C2OCCO2)CC1 ZINC000826485285 608330635 /nfs/dbraw/zinc/33/06/35/608330635.db2.gz JOZMHKLNCIMMRB-UHFFFAOYSA-N -1 3 397.432 0.921 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC(C2OCCO2)CC1 ZINC000826485285 608330637 /nfs/dbraw/zinc/33/06/37/608330637.db2.gz JOZMHKLNCIMMRB-UHFFFAOYSA-N -1 3 397.432 0.921 20 0 GCADHM CC1(C)COCCN1CCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824811718 608331147 /nfs/dbraw/zinc/33/11/47/608331147.db2.gz ADMCDHHNOLAJBR-UHFFFAOYSA-N -1 3 398.464 0.536 20 0 GCADHM CC1(C)COCCN1CCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824811718 608331149 /nfs/dbraw/zinc/33/11/49/608331149.db2.gz ADMCDHHNOLAJBR-UHFFFAOYSA-N -1 3 398.464 0.536 20 0 GCADHM CC(C)N1C[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1=O ZINC000824296682 608331486 /nfs/dbraw/zinc/33/14/86/608331486.db2.gz KGAJCTBONZQIQK-GFCCVEGCSA-N -1 3 382.421 0.435 20 0 GCADHM CC(C)N1CC[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC000824296149 608332291 /nfs/dbraw/zinc/33/22/91/608332291.db2.gz DYYWKYUIMAKIGB-ZDUSSCGKSA-N -1 3 382.421 0.435 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1nccn1C ZINC000824640198 608332608 /nfs/dbraw/zinc/33/26/08/608332608.db2.gz CPXVNOFHJMRLTD-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1nccn1C ZINC000824640198 608332609 /nfs/dbraw/zinc/33/26/09/608332609.db2.gz CPXVNOFHJMRLTD-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824860673 608332954 /nfs/dbraw/zinc/33/29/54/608332954.db2.gz XCIAJOOEXKNSTQ-TWGICLRTSA-N -1 3 387.462 0.677 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824860673 608332956 /nfs/dbraw/zinc/33/29/56/608332956.db2.gz XCIAJOOEXKNSTQ-TWGICLRTSA-N -1 3 387.462 0.677 20 0 GCADHM COC(=O)[C@](C)([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C1CC1 ZINC000826098950 608333488 /nfs/dbraw/zinc/33/34/88/608333488.db2.gz UTHQIBWEYKGSRV-OAHLLOKOSA-N -1 3 383.405 0.767 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826390025 608333804 /nfs/dbraw/zinc/33/38/04/608333804.db2.gz OEBRLOUEQIUXOE-JOYOIKCWSA-N -1 3 382.421 0.469 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826390025 608333806 /nfs/dbraw/zinc/33/38/06/608333806.db2.gz OEBRLOUEQIUXOE-JOYOIKCWSA-N -1 3 382.421 0.469 20 0 GCADHM CCC[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)OC ZINC000825242063 608334096 /nfs/dbraw/zinc/33/40/96/608334096.db2.gz HMIJPEZLQSPGPC-ZDUSSCGKSA-N -1 3 384.400 0.706 20 0 GCADHM CCC[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)OC ZINC000825242063 608334098 /nfs/dbraw/zinc/33/40/98/608334098.db2.gz HMIJPEZLQSPGPC-ZDUSSCGKSA-N -1 3 384.400 0.706 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@H]1CCCS(=O)(=O)C1 ZINC000826497230 608334182 /nfs/dbraw/zinc/33/41/82/608334182.db2.gz ZBBIJGJYICKALW-NSHDSACASA-N -1 3 389.434 0.002 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCC[C@@H](O)C(F)(F)F ZINC000826485846 608335404 /nfs/dbraw/zinc/33/54/04/608335404.db2.gz FVRVSYXQSVDVBJ-SNVBAGLBSA-N -1 3 383.327 0.739 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NCC[C@@H](O)C(F)(F)F ZINC000826485846 608335402 /nfs/dbraw/zinc/33/54/02/608335402.db2.gz FVRVSYXQSVDVBJ-SNVBAGLBSA-N -1 3 383.327 0.739 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824440444 608337611 /nfs/dbraw/zinc/33/76/11/608337611.db2.gz CFDWEMMQAQVPLE-GXFFZTMASA-N -1 3 385.421 0.619 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824440444 608337612 /nfs/dbraw/zinc/33/76/12/608337612.db2.gz CFDWEMMQAQVPLE-GXFFZTMASA-N -1 3 385.421 0.619 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826390020 608337994 /nfs/dbraw/zinc/33/79/94/608337994.db2.gz OCMGENDKJKILMF-DGCLKSJQSA-N -1 3 382.421 0.469 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826390020 608337996 /nfs/dbraw/zinc/33/79/96/608337996.db2.gz OCMGENDKJKILMF-DGCLKSJQSA-N -1 3 382.421 0.469 20 0 GCADHM CN1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C(C)(C)C1=O ZINC000826038743 608339330 /nfs/dbraw/zinc/33/93/30/608339330.db2.gz WTISDWAAXBLQHZ-UHFFFAOYSA-N -1 3 382.421 0.388 20 0 GCADHM CN1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C(C)(C)C1=O ZINC000826038743 608339331 /nfs/dbraw/zinc/33/93/31/608339331.db2.gz WTISDWAAXBLQHZ-UHFFFAOYSA-N -1 3 382.421 0.388 20 0 GCADHM C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824465174 608340062 /nfs/dbraw/zinc/34/00/62/608340062.db2.gz LYMDCZNTAFULBQ-JTQLQIEISA-N -1 3 386.420 0.158 20 0 GCADHM C[C@@H](Cn1ccnc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824465174 608340064 /nfs/dbraw/zinc/34/00/64/608340064.db2.gz LYMDCZNTAFULBQ-JTQLQIEISA-N -1 3 386.420 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ZINC000826308499 608343318 /nfs/dbraw/zinc/34/33/18/608343318.db2.gz CBJPJGJTRSEANZ-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCN1C(=O)NC(C)(C)C1=O ZINC000826171784 608347485 /nfs/dbraw/zinc/34/74/85/608347485.db2.gz YFOFQVAUTUQVTL-UHFFFAOYSA-N -1 3 388.384 0.639 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCN1C(=O)NC(C)(C)C1=O ZINC000826171784 608347486 /nfs/dbraw/zinc/34/74/86/608347486.db2.gz YFOFQVAUTUQVTL-UHFFFAOYSA-N -1 3 388.384 0.639 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000826171516 608349189 /nfs/dbraw/zinc/34/91/89/608349189.db2.gz PPGUCBQVEYTQQD-GFCCVEGCSA-N -1 3 399.411 0.835 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000826171516 608349191 /nfs/dbraw/zinc/34/91/91/608349191.db2.gz PPGUCBQVEYTQQD-GFCCVEGCSA-N -1 3 399.411 0.835 20 0 GCADHM COCCN(C(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000826157145 608350547 /nfs/dbraw/zinc/35/05/47/608350547.db2.gz 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Cc1cccc(NC(=O)C(=O)N2CCC(C3OCCO3)CC2)c1-c1nn[n-]n1 ZINC000826299232 608360038 /nfs/dbraw/zinc/36/00/38/608360038.db2.gz WMGOEUNYONUPMM-UHFFFAOYSA-N -1 3 386.412 0.725 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC(C2OCCO2)CC1 ZINC000826452714 608360424 /nfs/dbraw/zinc/36/04/24/608360424.db2.gz FHVQWTMQIOBTTK-UHFFFAOYSA-N -1 3 390.375 0.556 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC(C2OCCO2)CC1 ZINC000826452714 608360426 /nfs/dbraw/zinc/36/04/26/608360426.db2.gz FHVQWTMQIOBTTK-UHFFFAOYSA-N -1 3 390.375 0.556 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cccc1-c1nn[n-]n1 ZINC000826240571 608360534 /nfs/dbraw/zinc/36/05/34/608360534.db2.gz AGDOSFHWQKMPTE-HZPDHXFCSA-N -1 3 399.455 0.171 20 0 GCADHM C[C@@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824406961 608360761 /nfs/dbraw/zinc/36/07/61/608360761.db2.gz TWNLYXMDSGMLPT-SRENCEJNSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824406961 608360763 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389.445 0.027 20 0 GCADHM Cn1cnnc1[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000826365719 608366018 /nfs/dbraw/zinc/36/60/18/608366018.db2.gz ZZJJDOIVARBHDY-JTQLQIEISA-N -1 3 389.445 0.027 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(c2nccn(C)c2=O)CC1 ZINC000826169805 608367320 /nfs/dbraw/zinc/36/73/20/608367320.db2.gz FTECIXSEXPEJAS-UHFFFAOYSA-N -1 3 382.428 0.291 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(c2nccn(C)c2=O)CC1 ZINC000826169805 608367322 /nfs/dbraw/zinc/36/73/22/608367322.db2.gz FTECIXSEXPEJAS-UHFFFAOYSA-N -1 3 382.428 0.291 20 0 GCADHM Cc1noc([C@H]2CCCN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)C2)n1 ZINC000826339782 608371638 /nfs/dbraw/zinc/37/16/38/608371638.db2.gz SWWLLLUPKOUOEU-JTQLQIEISA-N -1 3 390.429 0.590 20 0 GCADHM Cc1noc([C@H]2CCCN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)C2)n1 ZINC000826339782 608371640 /nfs/dbraw/zinc/37/16/40/608371640.db2.gz SWWLLLUPKOUOEU-JTQLQIEISA-N -1 3 390.429 0.590 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000825417716 608383862 /nfs/dbraw/zinc/38/38/62/608383862.db2.gz SWZGNSOIMORYIV-UHFFFAOYSA-N -1 3 397.480 0.710 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000825417716 608383864 /nfs/dbraw/zinc/38/38/64/608383864.db2.gz SWZGNSOIMORYIV-UHFFFAOYSA-N -1 3 397.480 0.710 20 0 GCADHM Cn1ccnc1[C@H]1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826364227 608384207 /nfs/dbraw/zinc/38/42/07/608384207.db2.gz PAHJNADTIGYMDP-AWEZNQCLSA-N -1 3 387.469 0.863 20 0 GCADHM Cc1sc(NC(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000826349932 608384670 /nfs/dbraw/zinc/38/46/70/608384670.db2.gz ZYQQORKKISRBAA-SNVBAGLBSA-N -1 3 399.502 0.236 20 0 GCADHM Cc1sc(NC(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000826349932 608384671 /nfs/dbraw/zinc/38/46/71/608384671.db2.gz ZYQQORKKISRBAA-SNVBAGLBSA-N -1 3 399.502 0.236 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NC[C@@H](O)c1c(F)cccc1F ZINC000826413699 608387185 /nfs/dbraw/zinc/38/71/85/608387185.db2.gz OCOLTHAGIQFBBH-GFCCVEGCSA-N -1 3 375.339 0.802 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NC[C@@H](O)c1c(F)cccc1F ZINC000826413699 608387187 /nfs/dbraw/zinc/38/71/87/608387187.db2.gz OCOLTHAGIQFBBH-GFCCVEGCSA-N -1 3 375.339 0.802 20 0 GCADHM CS(=O)(=O)NCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826223112 608392107 /nfs/dbraw/zinc/39/21/07/608392107.db2.gz BQBDIDPOANDVHK-UHFFFAOYSA-N -1 3 391.457 0.215 20 0 GCADHM CS(=O)(=O)NCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826223112 608392108 /nfs/dbraw/zinc/39/21/08/608392108.db2.gz BQBDIDPOANDVHK-UHFFFAOYSA-N -1 3 391.457 0.215 20 0 GCADHM CC(C)c1nc(N(C)C)nc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000824359689 608392857 /nfs/dbraw/zinc/39/28/57/608392857.db2.gz ZYGIRBNGVXKDIA-UHFFFAOYSA-N -1 3 395.475 0.963 20 0 GCADHM CC(C)c1nc(N(C)C)nc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000824359689 608392859 /nfs/dbraw/zinc/39/28/59/608392859.db2.gz ZYGIRBNGVXKDIA-UHFFFAOYSA-N -1 3 395.475 0.963 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826138487 608396019 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CCn1cc(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)nc1C ZINC000825804705 608424539 /nfs/dbraw/zinc/42/45/39/608424539.db2.gz DVTQGEAAFNWBDO-UHFFFAOYSA-N -1 3 377.434 0.177 20 0 GCADHM COc1cc(CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)cc(OC)c1 ZINC000826179679 608427794 /nfs/dbraw/zinc/42/77/94/608427794.db2.gz ZAPPMJMTVINMFD-UHFFFAOYSA-N -1 3 382.428 0.996 20 0 GCADHM COc1cc(CN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)cc(OC)c1 ZINC000826179679 608427796 /nfs/dbraw/zinc/42/77/96/608427796.db2.gz ZAPPMJMTVINMFD-UHFFFAOYSA-N -1 3 382.428 0.996 20 0 GCADHM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000825834223 608428757 /nfs/dbraw/zinc/42/87/57/608428757.db2.gz SGEHODQODRROHH-JSGCOSHPSA-N -1 3 390.469 0.711 20 0 GCADHM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000825834223 608428758 /nfs/dbraw/zinc/42/87/58/608428758.db2.gz SGEHODQODRROHH-JSGCOSHPSA-N -1 3 390.469 0.711 20 0 GCADHM CN1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000826038471 608433327 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GCADHM CC(C)C(=O)NCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824185448 608446109 /nfs/dbraw/zinc/44/61/09/608446109.db2.gz ZZGPKBJUYRSCQT-UHFFFAOYSA-N -1 3 386.865 0.913 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cccc(-c2nc[nH]n2)c1 ZINC000826437960 608447062 /nfs/dbraw/zinc/44/70/62/608447062.db2.gz IHEVNPUUZKJIMJ-UHFFFAOYSA-N -1 3 376.384 0.889 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cccc(-c2nc[nH]n2)c1 ZINC000826437960 608447064 /nfs/dbraw/zinc/44/70/64/608447064.db2.gz IHEVNPUUZKJIMJ-UHFFFAOYSA-N -1 3 376.384 0.889 20 0 GCADHM CC1(C)OCC(C)(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CO1 ZINC000824812739 608455864 /nfs/dbraw/zinc/45/58/64/608455864.db2.gz PDASEBBLWDVRPI-LBPRGKRZSA-N -1 3 375.385 0.726 20 0 GCADHM CC1(C)OCC(C)(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CO1 ZINC000824812739 608455865 /nfs/dbraw/zinc/45/58/65/608455865.db2.gz PDASEBBLWDVRPI-LBPRGKRZSA-N -1 3 375.385 0.726 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825465570 608456423 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/nfs/dbraw/zinc/56/36/99/608563699.db2.gz VWSROOZYLABPGF-CPCISQLKSA-N -1 3 388.247 0.631 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)C[C@H]1O ZINC000824994603 608563932 /nfs/dbraw/zinc/56/39/32/608563932.db2.gz VWSROOZYLABPGF-RDDDGLTNSA-N -1 3 388.247 0.631 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)C[C@H]1O ZINC000824994603 608563935 /nfs/dbraw/zinc/56/39/35/608563935.db2.gz VWSROOZYLABPGF-RDDDGLTNSA-N -1 3 388.247 0.631 20 0 GCADHM C[C@@H](CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)S(N)(=O)=O ZINC000824420571 608564460 /nfs/dbraw/zinc/56/44/60/608564460.db2.gz MUVFCPYSBMGUCG-NSHDSACASA-N -1 3 382.446 0.209 20 0 GCADHM C[C@@H](CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)S(N)(=O)=O ZINC000824420571 608564461 /nfs/dbraw/zinc/56/44/61/608564461.db2.gz MUVFCPYSBMGUCG-NSHDSACASA-N -1 3 382.446 0.209 20 0 GCADHM CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000825152491 608564728 /nfs/dbraw/zinc/56/47/28/608564728.db2.gz ACAQKRLTERYZEE-CQSZACIVSA-N -1 3 380.474 0.252 20 0 GCADHM CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825152491 608564729 /nfs/dbraw/zinc/56/47/29/608564729.db2.gz ACAQKRLTERYZEE-CQSZACIVSA-N -1 3 380.474 0.252 20 0 GCADHM CCOC(=O)C1(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000825494465 608564754 /nfs/dbraw/zinc/56/47/54/608564754.db2.gz XFSAZOVUICKRAC-UHFFFAOYSA-N -1 3 387.396 0.760 20 0 GCADHM CCOC(=O)C1(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000825494465 608564756 /nfs/dbraw/zinc/56/47/56/608564756.db2.gz XFSAZOVUICKRAC-UHFFFAOYSA-N -1 3 387.396 0.760 20 0 GCADHM CC[C@H](O)CN1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000825154660 608564935 /nfs/dbraw/zinc/56/49/35/608564935.db2.gz SEXGRYBCPLGCLZ-AWEZNQCLSA-N -1 3 398.464 0.224 20 0 GCADHM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826390715 608566136 /nfs/dbraw/zinc/56/61/36/608566136.db2.gz JRRWWPBVAJVVOV-VIFPVBQESA-N -1 3 388.862 0.112 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825465083 608567992 /nfs/dbraw/zinc/56/79/92/608567992.db2.gz HTFGMVSHTQOGGF-QGZVFWFLSA-N -1 3 386.456 0.957 20 0 GCADHM COC[C@H](C)S(=O)(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826149551 608568934 /nfs/dbraw/zinc/56/89/34/608568934.db2.gz KCKLNZDNDDKTAA-JTQLQIEISA-N -1 3 377.430 0.711 20 0 GCADHM COC[C@H](C)S(=O)(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826149551 608568936 /nfs/dbraw/zinc/56/89/36/608568936.db2.gz KCKLNZDNDDKTAA-JTQLQIEISA-N -1 3 377.430 0.711 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825465779 608568971 /nfs/dbraw/zinc/56/89/71/608568971.db2.gz QOSCSSIYPBZQQW-OAHLLOKOSA-N -1 3 376.486 0.937 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825465779 608568972 /nfs/dbraw/zinc/56/89/72/608568972.db2.gz QOSCSSIYPBZQQW-OAHLLOKOSA-N -1 3 376.486 0.937 20 0 GCADHM NC(=O)C[C@H](NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000826390513 608577219 /nfs/dbraw/zinc/57/72/19/608577219.db2.gz CEBRKGHNCDMUOH-ZDUSSCGKSA-N -1 3 378.820 0.921 20 0 GCADHM NC(=O)C[C@H](NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000826390513 608577220 /nfs/dbraw/zinc/57/72/20/608577220.db2.gz CEBRKGHNCDMUOH-ZDUSSCGKSA-N -1 3 378.820 0.921 20 0 GCADHM O=C(NCCC1CCS(=O)(=O)CC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826436503 608584087 /nfs/dbraw/zinc/58/40/87/608584087.db2.gz VXOHLTRWYCPJFS-UHFFFAOYSA-N -1 3 384.849 0.860 20 0 GCADHM O=C(NCCC1CCS(=O)(=O)CC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826436503 608584088 /nfs/dbraw/zinc/58/40/88/608584088.db2.gz VXOHLTRWYCPJFS-UHFFFAOYSA-N -1 3 384.849 0.860 20 0 GCADHM Cn1cnc(CNC(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC000826364865 608585108 /nfs/dbraw/zinc/58/51/08/608585108.db2.gz OPXHNYCMPJBYRM-UHFFFAOYSA-N -1 3 386.395 0.166 20 0 GCADHM Cn1cnc(CNC(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC000826364865 608585110 /nfs/dbraw/zinc/58/51/10/608585110.db2.gz OPXHNYCMPJBYRM-UHFFFAOYSA-N -1 3 386.395 0.166 20 0 GCADHM COCCN1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1=O ZINC000826159426 608588659 /nfs/dbraw/zinc/58/86/59/608588659.db2.gz FVKMMTNDBSVCPA-LLVKDONJSA-N -1 3 391.432 0.194 20 0 GCADHM COCCN1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1=O ZINC000826159708 608589176 /nfs/dbraw/zinc/58/91/76/608589176.db2.gz PFLNHRNPKGXFRV-UHFFFAOYSA-N -1 3 382.371 0.759 20 0 GCADHM COCCN1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1=O ZINC000826159708 608589178 /nfs/dbraw/zinc/58/91/78/608589178.db2.gz PFLNHRNPKGXFRV-UHFFFAOYSA-N -1 3 382.371 0.759 20 0 GCADHM CN(C)c1nccc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000585492675 608589367 /nfs/dbraw/zinc/58/93/67/608589367.db2.gz RWUFACIFRQVNMA-UHFFFAOYSA-N -1 3 378.393 0.340 20 0 GCADHM CN(C)c1nccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000585492675 608589369 /nfs/dbraw/zinc/58/93/69/608589369.db2.gz RWUFACIFRQVNMA-UHFFFAOYSA-N -1 3 378.393 0.340 20 0 GCADHM Cc1nn(C)c2c1N(S(=O)(=O)Cc1cc(-c3nnn[n-]3)ccc1F)CCO2 ZINC000826334511 608589673 /nfs/dbraw/zinc/58/96/73/608589673.db2.gz YCPYLHNGFIJFFR-UHFFFAOYSA-N -1 3 393.404 0.777 20 0 GCADHM Cc1nn(C)c2c1N(S(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)CCO2 ZINC000826334511 608589674 /nfs/dbraw/zinc/58/96/74/608589674.db2.gz YCPYLHNGFIJFFR-UHFFFAOYSA-N -1 3 393.404 0.777 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)[C@@H](C)CN1C ZINC000824978330 608597301 /nfs/dbraw/zinc/59/73/01/608597301.db2.gz VSGMVHSCSUMCKP-RYUDHWBXSA-N -1 3 381.444 0.799 20 0 GCADHM CCOC(=O)NCC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825523230 608603253 /nfs/dbraw/zinc/60/32/53/608603253.db2.gz OQWQAWRILKKIOH-UHFFFAOYSA-N -1 3 389.416 0.814 20 0 GCADHM CCOC(=O)NCC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825523230 608603254 /nfs/dbraw/zinc/60/32/54/608603254.db2.gz OQWQAWRILKKIOH-UHFFFAOYSA-N -1 3 389.416 0.814 20 0 GCADHM CCS(=O)(=O)CC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825659667 608605748 /nfs/dbraw/zinc/60/57/48/608605748.db2.gz YQQBMXLZUJEEPD-UHFFFAOYSA-N -1 3 394.457 0.503 20 0 GCADHM CCS(=O)(=O)CC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825659667 608605750 /nfs/dbraw/zinc/60/57/50/608605750.db2.gz YQQBMXLZUJEEPD-UHFFFAOYSA-N -1 3 394.457 0.503 20 0 GCADHM CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825897994 608617772 /nfs/dbraw/zinc/61/77/72/608617772.db2.gz UMYCQUALWLKNOY-UHFFFAOYSA-N -1 3 375.838 0.132 20 0 GCADHM CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825897994 608617774 /nfs/dbraw/zinc/61/77/74/608617774.db2.gz UMYCQUALWLKNOY-UHFFFAOYSA-N -1 3 375.838 0.132 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](CO)OC[C@H]1C ZINC000824207623 608619296 /nfs/dbraw/zinc/61/92/96/608619296.db2.gz YVZFHHRLUKJBKT-IOASZLSFSA-N -1 3 375.429 0.878 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](CO)OC[C@H]1C ZINC000824207623 608619298 /nfs/dbraw/zinc/61/92/98/608619298.db2.gz YVZFHHRLUKJBKT-IOASZLSFSA-N -1 3 375.429 0.878 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)N1CC[C@@H](CO)C1 ZINC000826429401 608623523 /nfs/dbraw/zinc/62/35/23/608623523.db2.gz BLLQVIRLLGLUNK-LRVUVFPRSA-N -1 3 387.444 0.976 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)N1CC[C@@H](CO)C1 ZINC000826429401 608623525 /nfs/dbraw/zinc/62/35/25/608623525.db2.gz BLLQVIRLLGLUNK-LRVUVFPRSA-N -1 3 387.444 0.976 20 0 GCADHM C[C@]1(CCC(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC(=O)N1 ZINC000824819017 608629727 /nfs/dbraw/zinc/62/97/27/608629727.db2.gz WSDCKBPTVQNERO-IFXJQAMLSA-N -1 3 398.423 0.964 20 0 GCADHM C[C@]1(CCC(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC(=O)N1 ZINC000824819017 608629730 /nfs/dbraw/zinc/62/97/30/608629730.db2.gz WSDCKBPTVQNERO-IFXJQAMLSA-N -1 3 398.423 0.964 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)[C@]1(O)CCSC1 ZINC000826429879 608642441 /nfs/dbraw/zinc/64/24/41/608642441.db2.gz OWKSURMMZRMHEP-FVKWTLKZSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)[C@]1(O)CCSC1 ZINC000826429879 608642444 /nfs/dbraw/zinc/64/24/44/608642444.db2.gz OWKSURMMZRMHEP-FVKWTLKZSA-N -1 3 390.469 0.936 20 0 GCADHM Cn1nncc1CN1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000826367459 608655692 /nfs/dbraw/zinc/65/56/92/608655692.db2.gz ZRTPJMAXSMJMSE-UHFFFAOYSA-N -1 3 376.428 0.866 20 0 GCADHM Cn1nncc1CN1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000826367459 608655694 /nfs/dbraw/zinc/65/56/94/608655694.db2.gz ZRTPJMAXSMJMSE-UHFFFAOYSA-N -1 3 376.428 0.866 20 0 GCADHM O=C([C@H]1CCCCN1Cc1cnc2ccc(-c3nnn[n-]3)cn12)N1CCOCC1 ZINC000826399313 608679122 /nfs/dbraw/zinc/67/91/22/608679122.db2.gz SHIHMRSPAGLHPB-MRXNPFEDSA-N -1 3 396.455 0.728 20 0 GCADHM O=C([C@H]1CCCCN1Cc1cnc2ccc(-c3nn[n-]n3)cn12)N1CCOCC1 ZINC000826399313 608679125 /nfs/dbraw/zinc/67/91/25/608679125.db2.gz SHIHMRSPAGLHPB-MRXNPFEDSA-N -1 3 396.455 0.728 20 0 GCADHM Cc1nc2c(cnn2C)c(N2CCN(Cc3ccc(-c4nnn[n-]4)o3)CC2)n1 ZINC000826327174 608688617 /nfs/dbraw/zinc/68/86/17/608688617.db2.gz WJEHOPKKJCQVGI-UHFFFAOYSA-N -1 3 380.416 0.767 20 0 GCADHM Cc1nc2c(cnn2C)c(N2CCN(Cc3ccc(-c4nn[n-]n4)o3)CC2)n1 ZINC000826327174 608688618 /nfs/dbraw/zinc/68/86/18/608688618.db2.gz WJEHOPKKJCQVGI-UHFFFAOYSA-N -1 3 380.416 0.767 20 0 GCADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CN1CCO[C@@H](CNc2cccnn2)C1 ZINC000826526374 608742235 /nfs/dbraw/zinc/74/22/35/608742235.db2.gz WHKMYXITWKEIMU-HNNXBMFYSA-N -1 3 392.427 0.617 20 0 GCADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CN1CCO[C@@H](CNc2cccnn2)C1 ZINC000826526374 608742236 /nfs/dbraw/zinc/74/22/36/608742236.db2.gz WHKMYXITWKEIMU-HNNXBMFYSA-N -1 3 392.427 0.617 20 0 GCADHM Cc1oc(NC(=O)COC(=O)C2(O)CCSCC2)c(-c2nnn[n-]2)c1C ZINC000826342226 608767155 /nfs/dbraw/zinc/76/71/55/608767155.db2.gz BMMQVLFBUYTNIE-UHFFFAOYSA-N -1 3 381.414 0.816 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826339705 608769124 /nfs/dbraw/zinc/76/91/24/608769124.db2.gz PMWLTDFQZLGXJR-UHFFFAOYSA-N -1 3 390.429 0.377 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826339705 608769129 /nfs/dbraw/zinc/76/91/29/608769129.db2.gz PMWLTDFQZLGXJR-UHFFFAOYSA-N -1 3 390.429 0.377 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826394379 608771965 /nfs/dbraw/zinc/77/19/65/608771965.db2.gz HZSZZILKCMEBRN-UHFFFAOYSA-N -1 3 390.381 0.145 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000826394193 608772743 /nfs/dbraw/zinc/77/27/43/608772743.db2.gz ANYPOEOUGGNEBN-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000826394193 608772744 /nfs/dbraw/zinc/77/27/44/608772744.db2.gz ANYPOEOUGGNEBN-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM O=C(CCNc1cnccc1-c1nnn[n-]1)N1CCN(c2ncccn2)CC1 ZINC000826407983 608780233 /nfs/dbraw/zinc/78/02/33/608780233.db2.gz LFRVZHKNHGIAAM-UHFFFAOYSA-N -1 3 380.416 0.203 20 0 GCADHM O=C(CCNc1cnccc1-c1nn[n-]n1)N1CCN(c2ncccn2)CC1 ZINC000826407983 608780234 /nfs/dbraw/zinc/78/02/34/608780234.db2.gz LFRVZHKNHGIAAM-UHFFFAOYSA-N -1 3 380.416 0.203 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cnn2cc(Br)cnc12 ZINC000826459018 608782095 /nfs/dbraw/zinc/78/20/95/608782095.db2.gz RFXLCNGBEBXBMA-UHFFFAOYSA-N -1 3 386.173 0.741 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cnn2cc(Br)cnc12 ZINC000826459018 608782096 /nfs/dbraw/zinc/78/20/96/608782096.db2.gz RFXLCNGBEBXBMA-UHFFFAOYSA-N -1 3 386.173 0.741 20 0 GCADHM CCN1CCOC[C@H]1C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825465065 608811863 /nfs/dbraw/zinc/81/18/63/608811863.db2.gz HHHPBWYQTVGIEJ-HNNXBMFYSA-N -1 3 382.428 0.594 20 0 GCADHM CCN1CCOC[C@H]1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825465065 608811866 /nfs/dbraw/zinc/81/18/66/608811866.db2.gz HHHPBWYQTVGIEJ-HNNXBMFYSA-N -1 3 382.428 0.594 20 0 GCADHM O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826432756 608817691 /nfs/dbraw/zinc/81/76/91/608817691.db2.gz JVXFIEHZVQMEDD-LLVKDONJSA-N -1 3 381.824 0.335 20 0 GCADHM O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826432756 608817693 /nfs/dbraw/zinc/81/76/93/608817693.db2.gz JVXFIEHZVQMEDD-LLVKDONJSA-N -1 3 381.824 0.335 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000824882542 608825106 /nfs/dbraw/zinc/82/51/06/608825106.db2.gz BOKCIHWBGOTENY-NQBHXWOUSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000824882542 608825109 /nfs/dbraw/zinc/82/51/09/608825109.db2.gz BOKCIHWBGOTENY-NQBHXWOUSA-N -1 3 394.457 0.217 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)(C(=O)OC)CC1 ZINC000826129139 608826245 /nfs/dbraw/zinc/82/62/45/608826245.db2.gz KIVPFUHAUQRILT-UHFFFAOYSA-N -1 3 376.373 0.200 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)(C(=O)OC)CC1 ZINC000826129139 608826246 /nfs/dbraw/zinc/82/62/46/608826246.db2.gz KIVPFUHAUQRILT-UHFFFAOYSA-N -1 3 376.373 0.200 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)cc2)(C(=O)OC)CC1 ZINC000826133751 608826492 /nfs/dbraw/zinc/82/64/92/608826492.db2.gz OZKXYEJOVCWMJO-UHFFFAOYSA-N -1 3 387.396 0.872 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)cc2)(C(=O)OC)CC1 ZINC000826133751 608826494 /nfs/dbraw/zinc/82/64/94/608826494.db2.gz OZKXYEJOVCWMJO-UHFFFAOYSA-N -1 3 387.396 0.872 20 0 GCADHM COCCn1cc(CN2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC000826163885 608836635 /nfs/dbraw/zinc/83/66/35/608836635.db2.gz PWYPPGJKIVMBMB-ZDUSSCGKSA-N -1 3 384.448 0.210 20 0 GCADHM COCCn1cc(CN2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)cn1 ZINC000826163885 608836639 /nfs/dbraw/zinc/83/66/39/608836639.db2.gz PWYPPGJKIVMBMB-ZDUSSCGKSA-N -1 3 384.448 0.210 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cn1 ZINC000825883086 608865397 /nfs/dbraw/zinc/86/53/97/608865397.db2.gz BNXFCRJFOUQPSY-UHFFFAOYSA-N -1 3 397.418 0.824 20 0 GCADHM O=S1(=O)CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000826496782 608871624 /nfs/dbraw/zinc/87/16/24/608871624.db2.gz JNKCFPCLMHCQAZ-ZDUSSCGKSA-N -1 3 392.485 0.817 20 0 GCADHM O=S1(=O)CCC[C@H](Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000826496782 608871626 /nfs/dbraw/zinc/87/16/26/608871626.db2.gz JNKCFPCLMHCQAZ-ZDUSSCGKSA-N -1 3 392.485 0.817 20 0 GCADHM Cn1cnn(CC(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)c1=O ZINC000826365171 608875361 /nfs/dbraw/zinc/87/53/61/608875361.db2.gz DPFZWSUVQYTSFQ-UHFFFAOYSA-N -1 3 397.424 0.448 20 0 GCADHM Cn1cnn(CC(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)c1=O ZINC000826365171 608875364 /nfs/dbraw/zinc/87/53/64/608875364.db2.gz DPFZWSUVQYTSFQ-UHFFFAOYSA-N -1 3 397.424 0.448 20 0 GCADHM O=C(C=Cc1cnccn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826402984 609133040 /nfs/dbraw/zinc/13/30/40/609133040.db2.gz HEGMYEURGDPHOL-WHWKNOJMSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(C=Cc1cnccn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826402984 609133043 /nfs/dbraw/zinc/13/30/43/609133043.db2.gz HEGMYEURGDPHOL-WHWKNOJMSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(C=Cc1cnccn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826402982 609133283 /nfs/dbraw/zinc/13/32/83/609133283.db2.gz HEGMYEURGDPHOL-KQQSKNTNSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(C=Cc1cnccn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826402982 609133285 /nfs/dbraw/zinc/13/32/85/609133285.db2.gz HEGMYEURGDPHOL-KQQSKNTNSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cc[n+]([O-])cc1 ZINC000826430931 609135006 /nfs/dbraw/zinc/13/50/06/609135006.db2.gz NPEXQMBEDYFJHU-HNNXBMFYSA-N -1 3 379.380 0.426 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cc[n+]([O-])cc1 ZINC000826430931 609135007 /nfs/dbraw/zinc/13/50/07/609135007.db2.gz NPEXQMBEDYFJHU-HNNXBMFYSA-N -1 3 379.380 0.426 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1CCNC(=O)C1 ZINC000826479233 609136677 /nfs/dbraw/zinc/13/66/77/609136677.db2.gz UDKNATCLQRSSKH-OCCSQVGLSA-N -1 3 383.412 0.005 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1CCNC(=O)C1 ZINC000826479233 609136679 /nfs/dbraw/zinc/13/66/79/609136679.db2.gz UDKNATCLQRSSKH-OCCSQVGLSA-N -1 3 383.412 0.005 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1=O ZINC000824301168 609136827 /nfs/dbraw/zinc/13/68/27/609136827.db2.gz SAPOVHCTYHCQOC-UHFFFAOYSA-N -1 3 391.819 0.538 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1=O ZINC000824301168 609136829 /nfs/dbraw/zinc/13/68/29/609136829.db2.gz SAPOVHCTYHCQOC-UHFFFAOYSA-N -1 3 391.819 0.538 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1=O ZINC000824300452 609137014 /nfs/dbraw/zinc/13/70/14/609137014.db2.gz HCZIQCKMCFWNLA-UHFFFAOYSA-N -1 3 375.364 0.024 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1=O ZINC000824300452 609137016 /nfs/dbraw/zinc/13/70/16/609137016.db2.gz HCZIQCKMCFWNLA-UHFFFAOYSA-N -1 3 375.364 0.024 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)[C@H](C(=O)OC)C1 ZINC000826131956 609144400 /nfs/dbraw/zinc/14/44/00/609144400.db2.gz AIWPXVDFPXBCCQ-FZMZJTMJSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)[C@H](C(=O)OC)C1 ZINC000826131956 609144401 /nfs/dbraw/zinc/14/44/01/609144401.db2.gz AIWPXVDFPXBCCQ-FZMZJTMJSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)[C@@H](C(=O)OC)C1 ZINC000826131954 609144448 /nfs/dbraw/zinc/14/44/48/609144448.db2.gz AIWPXVDFPXBCCQ-BXUZGUMPSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)[C@@H](C(=O)OC)C1 ZINC000826131954 609144450 /nfs/dbraw/zinc/14/44/50/609144450.db2.gz AIWPXVDFPXBCCQ-BXUZGUMPSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(CCOc2cccc(-c3nnn[n-]3)c2)[C@@H](C(=O)OC)C1 ZINC000826133351 609144633 /nfs/dbraw/zinc/14/46/33/609144633.db2.gz LTGOTCFBPLWJDK-UKRRQHHQSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@@H]1CCN(CCOc2cccc(-c3nn[n-]n3)c2)[C@@H](C(=O)OC)C1 ZINC000826133351 609144635 /nfs/dbraw/zinc/14/46/35/609144635.db2.gz LTGOTCFBPLWJDK-UKRRQHHQSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)[C@H](C(=O)OC)C1 ZINC000826133317 609144686 /nfs/dbraw/zinc/14/46/86/609144686.db2.gz LLEZWXBJDKMWJP-HZMBPMFUSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)[C@H](C(=O)OC)C1 ZINC000826133317 609144690 /nfs/dbraw/zinc/14/46/90/609144690.db2.gz LLEZWXBJDKMWJP-HZMBPMFUSA-N -1 3 377.376 0.932 20 0 GCADHM Cc1cc(C(=O)N2CC(n3cncn3)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257663 609153351 /nfs/dbraw/zinc/15/33/51/609153351.db2.gz KXUOFQGMNFYJOR-UHFFFAOYSA-N -1 3 376.384 0.649 20 0 GCADHM Cc1cc(C(=O)N2CC(n3cncn3)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257663 609153352 /nfs/dbraw/zinc/15/33/52/609153352.db2.gz KXUOFQGMNFYJOR-UHFFFAOYSA-N -1 3 376.384 0.649 20 0 GCADHM Cn1cc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826362298 609153633 /nfs/dbraw/zinc/15/36/33/609153633.db2.gz MIGLTDXSRGAMCI-CQSZACIVSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1cc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826362298 609153634 /nfs/dbraw/zinc/15/36/34/609153634.db2.gz MIGLTDXSRGAMCI-CQSZACIVSA-N -1 3 381.400 0.917 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccn(C)n1 ZINC000824633430 609154279 /nfs/dbraw/zinc/15/42/79/609154279.db2.gz NHMFFTJKHQOUOV-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccn(C)n1 ZINC000824633430 609154281 /nfs/dbraw/zinc/15/42/81/609154281.db2.gz NHMFFTJKHQOUOV-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccn(C)n1 ZINC000824641183 609154585 /nfs/dbraw/zinc/15/45/85/609154585.db2.gz SRWVMECTFTZFLG-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccn(C)n1 ZINC000824641183 609154586 /nfs/dbraw/zinc/15/45/86/609154586.db2.gz SRWVMECTFTZFLG-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM CNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC000826060887 609154939 /nfs/dbraw/zinc/15/49/39/609154939.db2.gz VPSVOSIVUTYVQA-CQSZACIVSA-N -1 3 394.439 0.959 20 0 GCADHM CNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000826060887 609154942 /nfs/dbraw/zinc/15/49/42/609154942.db2.gz VPSVOSIVUTYVQA-CQSZACIVSA-N -1 3 394.439 0.959 20 0 GCADHM Cc1cc(C(=O)N2CCNC(=O)C[C@@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258559 609158435 /nfs/dbraw/zinc/15/84/35/609158435.db2.gz OIWNVUZNXMYLAQ-NSHDSACASA-N -1 3 380.412 0.711 20 0 GCADHM Cc1cc(C(=O)N2CCNC(=O)C[C@@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258559 609158436 /nfs/dbraw/zinc/15/84/36/609158436.db2.gz OIWNVUZNXMYLAQ-NSHDSACASA-N -1 3 380.412 0.711 20 0 GCADHM O=C(Nc1cccnn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826457606 609160910 /nfs/dbraw/zinc/16/09/10/609160910.db2.gz IUWRYLNQENICDD-CYBMUJFWSA-N -1 3 379.384 0.974 20 0 GCADHM O=C(Nc1cccnn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826457606 609160913 /nfs/dbraw/zinc/16/09/13/609160913.db2.gz IUWRYLNQENICDD-CYBMUJFWSA-N -1 3 379.384 0.974 20 0 GCADHM Cc1cc(C(=O)NC[C@H](O)COCC2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259104 609162087 /nfs/dbraw/zinc/16/20/87/609162087.db2.gz HNVHYRDRCVKFIN-INIZCTEOSA-N -1 3 397.439 0.878 20 0 GCADHM Cc1cc(C(=O)NC[C@H](O)COCC2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259104 609162089 /nfs/dbraw/zinc/16/20/89/609162089.db2.gz HNVHYRDRCVKFIN-INIZCTEOSA-N -1 3 397.439 0.878 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](CO)OC[C@@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258076 609163032 /nfs/dbraw/zinc/16/30/32/609163032.db2.gz YNXDSESMPYLIRD-SWLSCSKDSA-N -1 3 383.412 0.583 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](CO)OC[C@@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258076 609163033 /nfs/dbraw/zinc/16/30/33/609163033.db2.gz YNXDSESMPYLIRD-SWLSCSKDSA-N -1 3 383.412 0.583 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258185 609163357 /nfs/dbraw/zinc/16/33/57/609163357.db2.gz CYLTXMZBGGJLRI-AWEZNQCLSA-N -1 3 394.395 0.637 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258185 609163359 /nfs/dbraw/zinc/16/33/59/609163359.db2.gz CYLTXMZBGGJLRI-AWEZNQCLSA-N -1 3 394.395 0.637 20 0 GCADHM COC(=O)[C@H](OC(=O)C1CCN(C(C)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117829 609163369 /nfs/dbraw/zinc/16/33/69/609163369.db2.gz SKBLGTZNZKQKDR-OAHLLOKOSA-N -1 3 387.396 0.883 20 0 GCADHM COC(=O)[C@H](OC(=O)C1CCN(C(C)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117829 609163370 /nfs/dbraw/zinc/16/33/70/609163370.db2.gz SKBLGTZNZKQKDR-OAHLLOKOSA-N -1 3 387.396 0.883 20 0 GCADHM Cc1cc(C(=O)NCc2nccc(N)n2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259829 609163599 /nfs/dbraw/zinc/16/35/99/609163599.db2.gz IKNQYXVEYRSREF-UHFFFAOYSA-N -1 3 376.384 0.663 20 0 GCADHM Cc1cc(C(=O)NCc2nccc(N)n2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259829 609163600 /nfs/dbraw/zinc/16/36/00/609163600.db2.gz IKNQYXVEYRSREF-UHFFFAOYSA-N -1 3 376.384 0.663 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258628 609166555 /nfs/dbraw/zinc/16/65/55/609166555.db2.gz QCUANCNKBXYYPK-OAHLLOKOSA-N -1 3 392.423 0.808 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258628 609166556 /nfs/dbraw/zinc/16/65/56/609166556.db2.gz QCUANCNKBXYYPK-OAHLLOKOSA-N -1 3 392.423 0.808 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCCOC2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560559 609169190 /nfs/dbraw/zinc/16/91/90/609169190.db2.gz RTWPNOKNZUUSMN-NSHDSACASA-N -1 3 392.416 0.856 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCCOC2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560559 609169192 /nfs/dbraw/zinc/16/91/92/609169192.db2.gz RTWPNOKNZUUSMN-NSHDSACASA-N -1 3 392.416 0.856 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H](C)COC)c(-c2nnn[n-]2)cn1CCOC ZINC000825559572 609169257 /nfs/dbraw/zinc/16/92/57/609169257.db2.gz HUODIVRLJVBRIC-JTQLQIEISA-N -1 3 380.405 0.712 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H](C)COC)c(-c2nn[n-]n2)cn1CCOC ZINC000825559572 609169258 /nfs/dbraw/zinc/16/92/58/609169258.db2.gz HUODIVRLJVBRIC-JTQLQIEISA-N -1 3 380.405 0.712 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@]2(C)CCCO2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560951 609169427 /nfs/dbraw/zinc/16/94/27/609169427.db2.gz YDABDXOVYBLMIR-KRWDZBQOSA-N -1 3 392.416 0.999 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@]2(C)CCCO2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560951 609169429 /nfs/dbraw/zinc/16/94/29/609169429.db2.gz YDABDXOVYBLMIR-KRWDZBQOSA-N -1 3 392.416 0.999 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H](C)OCC)c(-c2nnn[n-]2)cn1CCOC ZINC000825560902 609169487 /nfs/dbraw/zinc/16/94/87/609169487.db2.gz XBXRJBCMJSDVPX-SNVBAGLBSA-N -1 3 380.405 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H](C)OCC)c(-c2nn[n-]n2)cn1CCOC ZINC000825560902 609169489 /nfs/dbraw/zinc/16/94/89/609169489.db2.gz XBXRJBCMJSDVPX-SNVBAGLBSA-N -1 3 380.405 0.855 20 0 GCADHM Cc1cc(C(=O)N2CC(n3ccnn3)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257546 609170262 /nfs/dbraw/zinc/17/02/62/609170262.db2.gz HARMUCLDTAJRRC-UHFFFAOYSA-N -1 3 376.384 0.649 20 0 GCADHM Cc1cc(C(=O)N2CC(n3ccnn3)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257546 609170263 /nfs/dbraw/zinc/17/02/63/609170263.db2.gz HARMUCLDTAJRRC-UHFFFAOYSA-N -1 3 376.384 0.649 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCO[C@H]2C)c(-c2nnn[n-]2)cn1CCOC ZINC000825560707 609171398 /nfs/dbraw/zinc/17/13/98/609171398.db2.gz VVMAADFEHQYCKC-WDEREUQCSA-N -1 3 392.416 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCO[C@H]2C)c(-c2nn[n-]n2)cn1CCOC ZINC000825560707 609171400 /nfs/dbraw/zinc/17/14/00/609171400.db2.gz VVMAADFEHQYCKC-WDEREUQCSA-N -1 3 392.416 0.855 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000824206854 609175189 /nfs/dbraw/zinc/17/51/89/609175189.db2.gz KOMHPNQHHQGSRW-HNNXBMFYSA-N -1 3 398.427 0.539 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000824206854 609175190 /nfs/dbraw/zinc/17/51/90/609175190.db2.gz KOMHPNQHHQGSRW-HNNXBMFYSA-N -1 3 398.427 0.539 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)Nc2nnc3n2CCCC3)cc1 ZINC000826395153 609176341 /nfs/dbraw/zinc/17/63/41/609176341.db2.gz OSZSPZDZRODZSB-UHFFFAOYSA-N -1 3 391.399 0.815 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)Nc2nnc3n2CCCC3)cc1 ZINC000826395153 609176343 /nfs/dbraw/zinc/17/63/43/609176343.db2.gz OSZSPZDZRODZSB-UHFFFAOYSA-N -1 3 391.399 0.815 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cccc[n+]1[O-] ZINC000826430761 609179641 /nfs/dbraw/zinc/17/96/41/609179641.db2.gz KCGFVECNOMKUDY-CQSZACIVSA-N -1 3 379.380 0.426 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cccc[n+]1[O-] ZINC000826430761 609179643 /nfs/dbraw/zinc/17/96/43/609179643.db2.gz KCGFVECNOMKUDY-CQSZACIVSA-N -1 3 379.380 0.426 20 0 GCADHM CCc1nnc2n1C[C@H](NC(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825770522 609180344 /nfs/dbraw/zinc/18/03/44/609180344.db2.gz AEVSIIXRDXUWOT-CYBMUJFWSA-N -1 3 397.443 0.714 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)CCO2)no1 ZINC000826324836 609180783 /nfs/dbraw/zinc/18/07/83/609180783.db2.gz GRRAJJDXRNPGGW-CYBMUJFWSA-N -1 3 388.363 0.980 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)CCO2)no1 ZINC000826324836 609180784 /nfs/dbraw/zinc/18/07/84/609180784.db2.gz GRRAJJDXRNPGGW-CYBMUJFWSA-N -1 3 388.363 0.980 20 0 GCADHM C[C@@H](CCCO)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824402604 609181322 /nfs/dbraw/zinc/18/13/22/609181322.db2.gz XKBDXICLCJJZDN-SWLSCSKDSA-N -1 3 387.444 0.822 20 0 GCADHM C[C@@H](CCCO)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824402604 609181324 /nfs/dbraw/zinc/18/13/24/609181324.db2.gz XKBDXICLCJJZDN-SWLSCSKDSA-N -1 3 387.444 0.822 20 0 GCADHM COc1ccc(CNC(=O)N[C@H]2CCc3nnc(C)n3C2)cc1-c1nnn[n-]1 ZINC000826199325 609181581 /nfs/dbraw/zinc/18/15/81/609181581.db2.gz WADKFFHCQUMLHW-LBPRGKRZSA-N -1 3 383.416 0.589 20 0 GCADHM COc1ccc(CNC(=O)N[C@H]2CCc3nnc(C)n3C2)cc1-c1nn[n-]n1 ZINC000826199325 609181583 /nfs/dbraw/zinc/18/15/83/609181583.db2.gz WADKFFHCQUMLHW-LBPRGKRZSA-N -1 3 383.416 0.589 20 0 GCADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)c(F)c1 ZINC000826411614 609185484 /nfs/dbraw/zinc/18/54/84/609185484.db2.gz GGJHSFFVENVIDC-HNNXBMFYSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)c(F)c1 ZINC000826411614 609185485 /nfs/dbraw/zinc/18/54/85/609185485.db2.gz GGJHSFFVENVIDC-HNNXBMFYSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826440566 609185869 /nfs/dbraw/zinc/18/58/69/609185869.db2.gz RMQACTMVPJYEDH-CYBMUJFWSA-N -1 3 392.391 0.727 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826440566 609185872 /nfs/dbraw/zinc/18/58/72/609185872.db2.gz RMQACTMVPJYEDH-CYBMUJFWSA-N -1 3 392.391 0.727 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000826469313 609189903 /nfs/dbraw/zinc/18/99/03/609189903.db2.gz BQIWJJKMHYPSGT-UHFFFAOYSA-N -1 3 387.425 0.342 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000826469313 609189907 /nfs/dbraw/zinc/18/99/07/609189907.db2.gz BQIWJJKMHYPSGT-UHFFFAOYSA-N -1 3 387.425 0.342 20 0 GCADHM COc1cccc(C(=O)NCCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826213943 609190704 /nfs/dbraw/zinc/19/07/04/609190704.db2.gz STWLUVYYUMVFPB-MRXNPFEDSA-N -1 3 396.407 0.455 20 0 GCADHM COc1cccc(C(=O)NCCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826213943 609190706 /nfs/dbraw/zinc/19/07/06/609190706.db2.gz STWLUVYYUMVFPB-MRXNPFEDSA-N -1 3 396.407 0.455 20 0 GCADHM CCCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000825300942 609191758 /nfs/dbraw/zinc/19/17/58/609191758.db2.gz GABHYSYTZKERDF-KBPBESRZSA-N -1 3 379.442 0.326 20 0 GCADHM CCCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000825300942 609191760 /nfs/dbraw/zinc/19/17/60/609191760.db2.gz GABHYSYTZKERDF-KBPBESRZSA-N -1 3 379.442 0.326 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000826398232 609192547 /nfs/dbraw/zinc/19/25/47/609192547.db2.gz SGBKXNHGYVHBCU-KRWDZBQOSA-N -1 3 379.424 0.640 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000826398232 609192548 /nfs/dbraw/zinc/19/25/48/609192548.db2.gz SGBKXNHGYVHBCU-KRWDZBQOSA-N -1 3 379.424 0.640 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000824319558 609193269 /nfs/dbraw/zinc/19/32/69/609193269.db2.gz ULRLWWRKZJQHMZ-UHFFFAOYSA-N -1 3 399.415 0.929 20 0 GCADHM CCN(CC)C(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825405735 609195926 /nfs/dbraw/zinc/19/59/26/609195926.db2.gz DIXXYLNRMZCDJA-OAHLLOKOSA-N -1 3 387.444 0.506 20 0 GCADHM CCN(CC)C(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825405735 609195927 /nfs/dbraw/zinc/19/59/27/609195927.db2.gz DIXXYLNRMZCDJA-OAHLLOKOSA-N -1 3 387.444 0.506 20 0 GCADHM O=C(NCc1ccccc1Cn1cncn1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443297 609197238 /nfs/dbraw/zinc/19/72/38/609197238.db2.gz JOEYLLOHGBOCOQ-QGZVFWFLSA-N -1 3 390.407 0.856 20 0 GCADHM O=C(NCc1ccccc1Cn1cncn1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443297 609197239 /nfs/dbraw/zinc/19/72/39/609197239.db2.gz JOEYLLOHGBOCOQ-QGZVFWFLSA-N -1 3 390.407 0.856 20 0 GCADHM O=C(NC1CCN(c2ncccn2)CC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431446 609198169 /nfs/dbraw/zinc/19/81/69/609198169.db2.gz BCXKNULTPAVCJD-OAHLLOKOSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(NC1CCN(c2ncccn2)CC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431446 609198171 /nfs/dbraw/zinc/19/81/71/609198171.db2.gz BCXKNULTPAVCJD-OAHLLOKOSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)nc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826441662 609200044 /nfs/dbraw/zinc/20/00/44/609200044.db2.gz OKDKTDSYMDDDKI-HNNXBMFYSA-N -1 3 377.368 0.192 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)nc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826441662 609200045 /nfs/dbraw/zinc/20/00/45/609200045.db2.gz OKDKTDSYMDDDKI-HNNXBMFYSA-N -1 3 377.368 0.192 20 0 GCADHM CNC(=O)c1ccc(OC)c(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826068301 609200490 /nfs/dbraw/zinc/20/04/90/609200490.db2.gz QRCNPYQSCSSGMV-HNNXBMFYSA-N -1 3 382.380 0.907 20 0 GCADHM CNC(=O)c1ccc(OC)c(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826068301 609200492 /nfs/dbraw/zinc/20/04/92/609200492.db2.gz QRCNPYQSCSSGMV-HNNXBMFYSA-N -1 3 382.380 0.907 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826441509 609201803 /nfs/dbraw/zinc/20/18/03/609201803.db2.gz HXHPNEUOHPKQHJ-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826441509 609201804 /nfs/dbraw/zinc/20/18/04/609201804.db2.gz HXHPNEUOHPKQHJ-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM C[C@H](CCO)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824407637 609201910 /nfs/dbraw/zinc/20/19/10/609201910.db2.gz YLAFDFQUVZBMNE-IUODEOHRSA-N -1 3 387.444 0.680 20 0 GCADHM C[C@H](CCO)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824407637 609201911 /nfs/dbraw/zinc/20/19/11/609201911.db2.gz YLAFDFQUVZBMNE-IUODEOHRSA-N -1 3 387.444 0.680 20 0 GCADHM C[C@H](CCO)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824407635 609202013 /nfs/dbraw/zinc/20/20/13/609202013.db2.gz YLAFDFQUVZBMNE-DOMZBBRYSA-N -1 3 387.444 0.680 20 0 GCADHM C[C@H](CCO)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824407635 609202014 /nfs/dbraw/zinc/20/20/14/609202014.db2.gz YLAFDFQUVZBMNE-DOMZBBRYSA-N -1 3 387.444 0.680 20 0 GCADHM CC[C@H](O)CCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825155027 609202407 /nfs/dbraw/zinc/20/24/07/609202407.db2.gz XHSGDNAKJVHEIN-LSDHHAIUSA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@H](O)CCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825155027 609202409 /nfs/dbraw/zinc/20/24/09/609202409.db2.gz XHSGDNAKJVHEIN-LSDHHAIUSA-N -1 3 387.444 0.822 20 0 GCADHM C[C@@]1(O)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000824838378 609203784 /nfs/dbraw/zinc/20/37/84/609203784.db2.gz ORFGFZJVBIQOQE-DNVCBOLYSA-N -1 3 399.455 0.919 20 0 GCADHM C[C@@]1(O)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000824838378 609203786 /nfs/dbraw/zinc/20/37/86/609203786.db2.gz ORFGFZJVBIQOQE-DNVCBOLYSA-N -1 3 399.455 0.919 20 0 GCADHM CC(C)(CO)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824162831 609205440 /nfs/dbraw/zinc/20/54/40/609205440.db2.gz QFAZCJLSOBYVRX-AWEZNQCLSA-N -1 3 387.444 0.680 20 0 GCADHM CC(C)(CO)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824162831 609205442 /nfs/dbraw/zinc/20/54/42/609205442.db2.gz QFAZCJLSOBYVRX-AWEZNQCLSA-N -1 3 387.444 0.680 20 0 GCADHM O=C(c1cccnc1)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826475158 609205676 /nfs/dbraw/zinc/20/56/76/609205676.db2.gz VSRMCAUJEKXPJQ-MRXNPFEDSA-N -1 3 393.407 0.280 20 0 GCADHM O=C(c1cccnc1)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826475158 609205678 /nfs/dbraw/zinc/20/56/78/609205678.db2.gz VSRMCAUJEKXPJQ-MRXNPFEDSA-N -1 3 393.407 0.280 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000824513919 609208016 /nfs/dbraw/zinc/20/80/16/609208016.db2.gz JYHDESDGIBNRQH-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000824513919 609208017 /nfs/dbraw/zinc/20/80/17/609208017.db2.gz JYHDESDGIBNRQH-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCc2ccccc21 ZINC000826432507 609212725 /nfs/dbraw/zinc/21/27/25/609212725.db2.gz CVBUUVWNRIYOAG-GOSISDBHSA-N -1 3 392.419 0.996 20 0 GCADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCCc2ccccc21 ZINC000826432507 609212726 /nfs/dbraw/zinc/21/27/26/609212726.db2.gz CVBUUVWNRIYOAG-GOSISDBHSA-N -1 3 392.419 0.996 20 0 GCADHM CCOc1cc(C)nc(N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC000825615910 609212912 /nfs/dbraw/zinc/21/29/12/609212912.db2.gz PDXHILKNNNWOHH-UHFFFAOYSA-N -1 3 383.416 0.654 20 0 GCADHM CCOc1cc(C)nc(N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC000825615910 609212914 /nfs/dbraw/zinc/21/29/14/609212914.db2.gz PDXHILKNNNWOHH-UHFFFAOYSA-N -1 3 383.416 0.654 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826197131 609213963 /nfs/dbraw/zinc/21/39/63/609213963.db2.gz AXBIXRICQWJDPN-QGZVFWFLSA-N -1 3 396.407 0.341 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826197131 609213965 /nfs/dbraw/zinc/21/39/65/609213965.db2.gz AXBIXRICQWJDPN-QGZVFWFLSA-N -1 3 396.407 0.341 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826429302 609214548 /nfs/dbraw/zinc/21/45/48/609214548.db2.gz ZMQIDRZUBJQEJH-RHSMWYFYSA-N -1 3 378.392 0.822 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826429302 609214550 /nfs/dbraw/zinc/21/45/50/609214550.db2.gz ZMQIDRZUBJQEJH-RHSMWYFYSA-N -1 3 378.392 0.822 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000826469460 609215219 /nfs/dbraw/zinc/21/52/19/609215219.db2.gz IBCQMASOEMXFSY-HNNXBMFYSA-N -1 3 397.439 0.393 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000826469460 609215220 /nfs/dbraw/zinc/21/52/20/609215220.db2.gz IBCQMASOEMXFSY-HNNXBMFYSA-N -1 3 397.439 0.393 20 0 GCADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)NCCc1ccccc1 ZINC000826411883 609215242 /nfs/dbraw/zinc/21/52/42/609215242.db2.gz RBEIJVRRWKWFOV-QGZVFWFLSA-N -1 3 380.408 0.375 20 0 GCADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)NCCc1ccccc1 ZINC000826411883 609215243 /nfs/dbraw/zinc/21/52/43/609215243.db2.gz RBEIJVRRWKWFOV-QGZVFWFLSA-N -1 3 380.408 0.375 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431621 609216265 /nfs/dbraw/zinc/21/62/65/609216265.db2.gz GMJJZKPIXMUXHZ-SJORKVTESA-N -1 3 392.419 0.817 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431621 609216267 /nfs/dbraw/zinc/21/62/67/609216267.db2.gz GMJJZKPIXMUXHZ-SJORKVTESA-N -1 3 392.419 0.817 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826434731 609218683 /nfs/dbraw/zinc/21/86/83/609218683.db2.gz VWHBMXXZJFSHTC-UONOGXRCSA-N -1 3 388.453 0.328 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826434731 609218685 /nfs/dbraw/zinc/21/86/85/609218685.db2.gz VWHBMXXZJFSHTC-UONOGXRCSA-N -1 3 388.453 0.328 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824093745 609218789 /nfs/dbraw/zinc/21/87/89/609218789.db2.gz MNFXMGHZKKXITL-CHWSQXEVSA-N -1 3 390.469 0.716 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824093745 609218790 /nfs/dbraw/zinc/21/87/90/609218790.db2.gz MNFXMGHZKKXITL-CHWSQXEVSA-N -1 3 390.469 0.716 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000826482969 609219151 /nfs/dbraw/zinc/21/91/51/609219151.db2.gz WKGYSWWTBNULTM-HZPDHXFCSA-N -1 3 378.392 0.600 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000826482969 609219153 /nfs/dbraw/zinc/21/91/53/609219153.db2.gz WKGYSWWTBNULTM-HZPDHXFCSA-N -1 3 378.392 0.600 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824093747 609219249 /nfs/dbraw/zinc/21/92/49/609219249.db2.gz MNFXMGHZKKXITL-QWHCGFSZSA-N -1 3 390.469 0.716 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824093747 609219251 /nfs/dbraw/zinc/21/92/51/609219251.db2.gz MNFXMGHZKKXITL-QWHCGFSZSA-N -1 3 390.469 0.716 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826311466 609219487 /nfs/dbraw/zinc/21/94/87/609219487.db2.gz FQUKHUWIIGPPBZ-INIZCTEOSA-N -1 3 381.396 0.701 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826311466 609219489 /nfs/dbraw/zinc/21/94/89/609219489.db2.gz FQUKHUWIIGPPBZ-INIZCTEOSA-N -1 3 381.396 0.701 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000824991725 609221162 /nfs/dbraw/zinc/22/11/62/609221162.db2.gz FVHOURFZTXVROV-JQWIXIFHSA-N -1 3 381.462 0.373 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000824991725 609221163 /nfs/dbraw/zinc/22/11/63/609221163.db2.gz FVHOURFZTXVROV-JQWIXIFHSA-N -1 3 381.462 0.373 20 0 GCADHM COc1cc(NC(=O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc(OC)c1 ZINC000826180383 609222952 /nfs/dbraw/zinc/22/29/52/609222952.db2.gz FGKKRELDEOIQME-UHFFFAOYSA-N -1 3 385.384 0.923 20 0 GCADHM COc1cc(NC(=O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc(OC)c1 ZINC000826180383 609222953 /nfs/dbraw/zinc/22/29/53/609222953.db2.gz FGKKRELDEOIQME-UHFFFAOYSA-N -1 3 385.384 0.923 20 0 GCADHM CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000826038731 609223741 /nfs/dbraw/zinc/22/37/41/609223741.db2.gz WNINPJQJVTVWFR-LBPRGKRZSA-N -1 3 390.448 0.476 20 0 GCADHM CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000826038731 609223743 /nfs/dbraw/zinc/22/37/43/609223743.db2.gz WNINPJQJVTVWFR-LBPRGKRZSA-N -1 3 390.448 0.476 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000826396997 609224333 /nfs/dbraw/zinc/22/43/33/609224333.db2.gz QXFYYERLAACSAW-KBPBESRZSA-N -1 3 377.426 0.078 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000826396997 609224335 /nfs/dbraw/zinc/22/43/35/609224335.db2.gz QXFYYERLAACSAW-KBPBESRZSA-N -1 3 377.426 0.078 20 0 GCADHM O=C(NCc1n[nH]cc1Br)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826440334 609224792 /nfs/dbraw/zinc/22/47/92/609224792.db2.gz JEAHXHFIOBVLIF-NSHDSACASA-N -1 3 378.190 0.702 20 0 GCADHM O=C(NCc1n[nH]cc1Br)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826440334 609224793 /nfs/dbraw/zinc/22/47/93/609224793.db2.gz JEAHXHFIOBVLIF-NSHDSACASA-N -1 3 378.190 0.702 20 0 GCADHM O=C(NCc1n[nH]cc1Br)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826440333 609224839 /nfs/dbraw/zinc/22/48/39/609224839.db2.gz JEAHXHFIOBVLIF-LLVKDONJSA-N -1 3 378.190 0.702 20 0 GCADHM O=C(NCc1n[nH]cc1Br)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826440333 609224840 /nfs/dbraw/zinc/22/48/40/609224840.db2.gz JEAHXHFIOBVLIF-LLVKDONJSA-N -1 3 378.190 0.702 20 0 GCADHM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833571 609226973 /nfs/dbraw/zinc/22/69/73/609226973.db2.gz IKMWQXJALCUKSG-IRXDYDNUSA-N -1 3 394.435 0.716 20 0 GCADHM CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833571 609226975 /nfs/dbraw/zinc/22/69/75/609226975.db2.gz IKMWQXJALCUKSG-IRXDYDNUSA-N -1 3 394.435 0.716 20 0 GCADHM CC(C)(C)[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1nc(-c2nc[nH]n2)no1 ZINC000824072728 609227432 /nfs/dbraw/zinc/22/74/32/609227432.db2.gz YUKDPRBCEWOXOU-SECBINFHSA-N -1 3 383.376 0.880 20 0 GCADHM CCn1ccnc1CN1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825804412 609228625 /nfs/dbraw/zinc/22/86/25/609228625.db2.gz AFEZRTVENZEAOQ-QGZVFWFLSA-N -1 3 396.455 0.461 20 0 GCADHM CCn1ccnc1CN1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825804412 609228628 /nfs/dbraw/zinc/22/86/28/609228628.db2.gz AFEZRTVENZEAOQ-QGZVFWFLSA-N -1 3 396.455 0.461 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000826399360 609229330 /nfs/dbraw/zinc/22/93/30/609229330.db2.gz UDUDZORXNPJHJY-HOTGVXAUSA-N -1 3 384.440 0.761 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000826399360 609229331 /nfs/dbraw/zinc/22/93/31/609229331.db2.gz UDUDZORXNPJHJY-HOTGVXAUSA-N -1 3 384.440 0.761 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000826398444 609230250 /nfs/dbraw/zinc/23/02/50/609230250.db2.gz WWUHCCGCMRDQJI-DOTOQJQBSA-N -1 3 384.440 0.904 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000826398444 609230251 /nfs/dbraw/zinc/23/02/51/609230251.db2.gz WWUHCCGCMRDQJI-DOTOQJQBSA-N -1 3 384.440 0.904 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(C(N)=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259662 609230423 /nfs/dbraw/zinc/23/04/23/609230423.db2.gz ZHDJFFPXEMSEFD-LBPRGKRZSA-N -1 3 381.400 0.244 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(C(N)=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259662 609230424 /nfs/dbraw/zinc/23/04/24/609230424.db2.gz ZHDJFFPXEMSEFD-LBPRGKRZSA-N -1 3 381.400 0.244 20 0 GCADHM CC[C@@H](C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)N1CCCC1=O ZINC000825039132 609233609 /nfs/dbraw/zinc/23/36/09/609233609.db2.gz MSSJWZNNLMIUSV-AWEZNQCLSA-N -1 3 395.427 0.846 20 0 GCADHM CC[C@@H](C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)N1CCCC1=O ZINC000825039132 609233611 /nfs/dbraw/zinc/23/36/11/609233611.db2.gz MSSJWZNNLMIUSV-AWEZNQCLSA-N -1 3 395.427 0.846 20 0 GCADHM CN(C[C@H]1CCCN1c1cccnn1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825908820 609233738 /nfs/dbraw/zinc/23/37/38/609233738.db2.gz MPXWCRHRHTYOCD-WBVHZDCISA-N -1 3 394.439 0.818 20 0 GCADHM CN(C[C@H]1CCCN1c1cccnn1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825908820 609233740 /nfs/dbraw/zinc/23/37/40/609233740.db2.gz MPXWCRHRHTYOCD-WBVHZDCISA-N -1 3 394.439 0.818 20 0 GCADHM O=C(NCc1cccc(-n2cncn2)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442857 609234912 /nfs/dbraw/zinc/23/49/12/609234912.db2.gz NFNHRHOKEBOUDY-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1cccc(-n2cncn2)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442857 609234914 /nfs/dbraw/zinc/23/49/14/609234914.db2.gz NFNHRHOKEBOUDY-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000824746970 609235242 /nfs/dbraw/zinc/23/52/42/609235242.db2.gz XSFOYSDHMVIVFF-CHWSQXEVSA-N -1 3 389.412 0.672 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000824746970 609235243 /nfs/dbraw/zinc/23/52/43/609235243.db2.gz XSFOYSDHMVIVFF-CHWSQXEVSA-N -1 3 389.412 0.672 20 0 GCADHM Cc1ccoc1C(=O)NCCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826315464 609235251 /nfs/dbraw/zinc/23/52/51/609235251.db2.gz KKPQSYBKHCMJFG-AWEZNQCLSA-N -1 3 384.396 0.738 20 0 GCADHM Cc1ccoc1C(=O)NCCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826315464 609235253 /nfs/dbraw/zinc/23/52/53/609235253.db2.gz KKPQSYBKHCMJFG-AWEZNQCLSA-N -1 3 384.396 0.738 20 0 GCADHM O=C(O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1nccn2ccnc12 ZINC000826463138 609239279 /nfs/dbraw/zinc/23/92/79/609239279.db2.gz UJZQUTXDENFVCV-JTQLQIEISA-N -1 3 396.392 0.933 20 0 GCADHM O=C(O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1nccn2ccnc12 ZINC000826463138 609239280 /nfs/dbraw/zinc/23/92/80/609239280.db2.gz UJZQUTXDENFVCV-JTQLQIEISA-N -1 3 396.392 0.933 20 0 GCADHM C[C@@H](CS(C)(=O)=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824450315 609240028 /nfs/dbraw/zinc/24/00/28/609240028.db2.gz VBHVFHQECZCAHZ-NSHDSACASA-N -1 3 380.474 0.673 20 0 GCADHM C[C@@H](CS(C)(=O)=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824450315 609240030 /nfs/dbraw/zinc/24/00/30/609240030.db2.gz VBHVFHQECZCAHZ-NSHDSACASA-N -1 3 380.474 0.673 20 0 GCADHM O=C(NCc1ccc2c(c1)CCS2(=O)=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442269 609246229 /nfs/dbraw/zinc/24/62/29/609246229.db2.gz OZUCBEABQJHDHE-INIZCTEOSA-N -1 3 399.432 0.546 20 0 GCADHM O=C(NCc1ccc2c(c1)CCS2(=O)=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442269 609246231 /nfs/dbraw/zinc/24/62/31/609246231.db2.gz OZUCBEABQJHDHE-INIZCTEOSA-N -1 3 399.432 0.546 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826165941 609247372 /nfs/dbraw/zinc/24/73/72/609247372.db2.gz OSONKCZOTPCQAD-OCCSQVGLSA-N -1 3 384.400 0.289 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826165941 609247374 /nfs/dbraw/zinc/24/73/74/609247374.db2.gz OSONKCZOTPCQAD-OCCSQVGLSA-N -1 3 384.400 0.289 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000826398144 609250202 /nfs/dbraw/zinc/25/02/02/609250202.db2.gz RAGMTUCDJHCVMJ-ZMSDIMECSA-N -1 3 399.407 0.844 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000826398144 609250204 /nfs/dbraw/zinc/25/02/04/609250204.db2.gz RAGMTUCDJHCVMJ-ZMSDIMECSA-N -1 3 399.407 0.844 20 0 GCADHM O=C(NCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)NC1CCCCC1 ZINC000826437286 609250325 /nfs/dbraw/zinc/25/03/25/609250325.db2.gz DUKZAQQPIYNUSH-HNNXBMFYSA-N -1 3 387.444 0.648 20 0 GCADHM O=C(NCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)NC1CCCCC1 ZINC000826437286 609250326 /nfs/dbraw/zinc/25/03/26/609250326.db2.gz DUKZAQQPIYNUSH-HNNXBMFYSA-N -1 3 387.444 0.648 20 0 GCADHM COc1cc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1O ZINC000826179135 609250782 /nfs/dbraw/zinc/25/07/82/609250782.db2.gz AJGPLLDDBKCYJD-OAHLLOKOSA-N -1 3 385.380 0.939 20 0 GCADHM COc1cc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1O ZINC000826179135 609250783 /nfs/dbraw/zinc/25/07/83/609250783.db2.gz AJGPLLDDBKCYJD-OAHLLOKOSA-N -1 3 385.380 0.939 20 0 GCADHM O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826455380 609250969 /nfs/dbraw/zinc/25/09/69/609250969.db2.gz LQKSSCJILDRUKB-HNNXBMFYSA-N -1 3 385.405 0.869 20 0 GCADHM O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826455380 609250971 /nfs/dbraw/zinc/25/09/71/609250971.db2.gz LQKSSCJILDRUKB-HNNXBMFYSA-N -1 3 385.405 0.869 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826428398 609251433 /nfs/dbraw/zinc/25/14/33/609251433.db2.gz AVTPKBDBRFIJQL-WMLDXEAASA-N -1 3 384.440 0.950 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826428398 609251435 /nfs/dbraw/zinc/25/14/35/609251435.db2.gz AVTPKBDBRFIJQL-WMLDXEAASA-N -1 3 384.440 0.950 20 0 GCADHM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826358098 609252800 /nfs/dbraw/zinc/25/28/00/609252800.db2.gz DQIXZYSWFVEEPJ-RDJZCZTQSA-N -1 3 395.423 0.898 20 0 GCADHM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826358098 609252801 /nfs/dbraw/zinc/25/28/01/609252801.db2.gz DQIXZYSWFVEEPJ-RDJZCZTQSA-N -1 3 395.423 0.898 20 0 GCADHM COc1nc(C)ccc1C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826221368 609254615 /nfs/dbraw/zinc/25/46/15/609254615.db2.gz BGFBKHZVNLCACC-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM COc1nc(C)ccc1C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826221368 609254616 /nfs/dbraw/zinc/25/46/16/609254616.db2.gz BGFBKHZVNLCACC-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000824966596 609257280 /nfs/dbraw/zinc/25/72/80/609257280.db2.gz CCINYNPUSAMNTB-MFKMUULPSA-N -1 3 384.362 0.995 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000824966596 609257282 /nfs/dbraw/zinc/25/72/82/609257282.db2.gz CCINYNPUSAMNTB-MFKMUULPSA-N -1 3 384.362 0.995 20 0 GCADHM O=C(COC(=O)CC(=O)NCC(F)(F)F)Nc1sccc1-c1nnn[n-]1 ZINC000826403715 609259290 /nfs/dbraw/zinc/25/92/90/609259290.db2.gz ADGOXBCFHJQHLR-UHFFFAOYSA-N -1 3 392.319 0.479 20 0 GCADHM O=C(COC(=O)CC(=O)NCC(F)(F)F)Nc1sccc1-c1nn[n-]n1 ZINC000826403715 609259292 /nfs/dbraw/zinc/25/92/92/609259292.db2.gz ADGOXBCFHJQHLR-UHFFFAOYSA-N -1 3 392.319 0.479 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC000825845684 609264017 /nfs/dbraw/zinc/26/40/17/609264017.db2.gz LPYBCZPACJIITI-UHFFFAOYSA-N -1 3 387.448 0.278 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC000825845684 609264019 /nfs/dbraw/zinc/26/40/19/609264019.db2.gz LPYBCZPACJIITI-UHFFFAOYSA-N -1 3 387.448 0.278 20 0 GCADHM CCN1CCO[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000825465023 609265315 /nfs/dbraw/zinc/26/53/15/609265315.db2.gz GGDUOILRRVEJJT-HOTGVXAUSA-N -1 3 399.455 0.199 20 0 GCADHM CNC(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC1 ZINC000826050802 609265489 /nfs/dbraw/zinc/26/54/89/609265489.db2.gz DVKMLNSLVAYCEV-AWEZNQCLSA-N -1 3 397.439 0.395 20 0 GCADHM CNC(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC1 ZINC000826050802 609265490 /nfs/dbraw/zinc/26/54/90/609265490.db2.gz DVKMLNSLVAYCEV-AWEZNQCLSA-N -1 3 397.439 0.395 20 0 GCADHM NC(=O)C1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC1 ZINC000826388624 609265676 /nfs/dbraw/zinc/26/56/76/609265676.db2.gz FKJIEGTYNKZNFJ-CYBMUJFWSA-N -1 3 383.412 0.134 20 0 GCADHM NC(=O)C1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC1 ZINC000826388624 609265678 /nfs/dbraw/zinc/26/56/78/609265678.db2.gz FKJIEGTYNKZNFJ-CYBMUJFWSA-N -1 3 383.412 0.134 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826033444 609265797 /nfs/dbraw/zinc/26/57/97/609265797.db2.gz DFYNDKLIAZOMLR-CVEARBPZSA-N -1 3 383.456 0.963 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826033445 609265873 /nfs/dbraw/zinc/26/58/73/609265873.db2.gz DFYNDKLIAZOMLR-HOTGVXAUSA-N -1 3 383.456 0.963 20 0 GCADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000824764302 609266697 /nfs/dbraw/zinc/26/66/97/609266697.db2.gz VIZALKPACQEDBX-XJKSGUPXSA-N -1 3 376.486 0.732 20 0 GCADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000824764302 609266698 /nfs/dbraw/zinc/26/66/98/609266698.db2.gz VIZALKPACQEDBX-XJKSGUPXSA-N -1 3 376.486 0.732 20 0 GCADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000824764300 609267163 /nfs/dbraw/zinc/26/71/63/609267163.db2.gz VIZALKPACQEDBX-CZUORRHYSA-N -1 3 376.486 0.732 20 0 GCADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000824764300 609267164 /nfs/dbraw/zinc/26/71/64/609267164.db2.gz VIZALKPACQEDBX-CZUORRHYSA-N -1 3 376.486 0.732 20 0 GCADHM O=c1c2ccncc2ncn1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826501354 609269095 /nfs/dbraw/zinc/26/90/95/609269095.db2.gz MDOFHKWYZPILHB-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM O=c1c2ccncc2ncn1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826501354 609269097 /nfs/dbraw/zinc/26/90/97/609269097.db2.gz MDOFHKWYZPILHB-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000826186307 609270988 /nfs/dbraw/zinc/27/09/88/609270988.db2.gz NAMRXEUGPQYQNL-LBPRGKRZSA-N -1 3 390.400 0.919 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000826186307 609270990 /nfs/dbraw/zinc/27/09/90/609270990.db2.gz NAMRXEUGPQYQNL-LBPRGKRZSA-N -1 3 390.400 0.919 20 0 GCADHM CCOCCOC1CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000825599654 609281049 /nfs/dbraw/zinc/28/10/49/609281049.db2.gz OPXXPBPFSNUDBC-UHFFFAOYSA-N -1 3 376.421 0.121 20 0 GCADHM CCOCCOC1CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000825599654 609281050 /nfs/dbraw/zinc/28/10/50/609281050.db2.gz OPXXPBPFSNUDBC-UHFFFAOYSA-N -1 3 376.421 0.121 20 0 GCADHM CC(=O)OCC(C)(C)CC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000824010454 609286354 /nfs/dbraw/zinc/28/63/54/609286354.db2.gz NSCCOXLXSDWOTQ-UHFFFAOYSA-N -1 3 387.444 0.890 20 0 GCADHM CC(=O)OCC(C)(C)CC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000824010454 609286356 /nfs/dbraw/zinc/28/63/56/609286356.db2.gz NSCCOXLXSDWOTQ-UHFFFAOYSA-N -1 3 387.444 0.890 20 0 GCADHM Cn1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c(=O)[nH]c1=O ZINC000826359097 609287722 /nfs/dbraw/zinc/28/77/22/609287722.db2.gz VSSDQVRRFONOIL-UHFFFAOYSA-N -1 3 397.330 0.243 20 0 GCADHM Cn1nc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)ccc1=O ZINC000826366138 609289640 /nfs/dbraw/zinc/28/96/40/609289640.db2.gz VAEODFDXJHHTBC-UHFFFAOYSA-N -1 3 381.331 0.538 20 0 GCADHM COCC(=O)N(C)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826147996 609292484 /nfs/dbraw/zinc/29/24/84/609292484.db2.gz UPLOHRCNVLUVCF-UHFFFAOYSA-N -1 3 388.363 0.235 20 0 GCADHM Cc1nnc(SCCNS(=O)(=O)c2cnn(C)c2)c(-c2nnn[n-]2)c1C ZINC000826336852 609305760 /nfs/dbraw/zinc/30/57/60/609305760.db2.gz QNRRCWHMCHISLJ-UHFFFAOYSA-N -1 3 395.474 0.078 20 0 GCADHM Cc1nnc(SCCNS(=O)(=O)c2cnn(C)c2)c(-c2nn[n-]n2)c1C ZINC000826336852 609305762 /nfs/dbraw/zinc/30/57/62/609305762.db2.gz QNRRCWHMCHISLJ-UHFFFAOYSA-N -1 3 395.474 0.078 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000825930673 609309856 /nfs/dbraw/zinc/30/98/56/609309856.db2.gz WEYNFNAHXMKULD-SNVBAGLBSA-N -1 3 385.436 0.027 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCc1ccn2ccnc2c1 ZINC000825929429 609309996 /nfs/dbraw/zinc/30/99/96/609309996.db2.gz FOZWSDDZXOHODU-UHFFFAOYSA-N -1 3 395.431 0.594 20 0 GCADHM CCN1CCOC[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825465694 609313110 /nfs/dbraw/zinc/31/31/10/609313110.db2.gz PTFDGCQFATZCSK-ZDUSSCGKSA-N -1 3 386.391 0.851 20 0 GCADHM O=C(CCN1CCOCC1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826407140 609313307 /nfs/dbraw/zinc/31/33/07/609313307.db2.gz CGOKDPBUAASZPZ-UHFFFAOYSA-N -1 3 386.391 0.852 20 0 GCADHM O=C(CCN1CCOCC1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826407140 609313308 /nfs/dbraw/zinc/31/33/08/609313308.db2.gz CGOKDPBUAASZPZ-UHFFFAOYSA-N -1 3 386.391 0.852 20 0 GCADHM COC[C@H](CNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)OC ZINC000826149484 609315049 /nfs/dbraw/zinc/31/50/49/609315049.db2.gz IGLLTVZOAOVKRI-LSDHHAIUSA-N -1 3 376.417 0.611 20 0 GCADHM COC[C@H](CNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)OC ZINC000826149484 609315051 /nfs/dbraw/zinc/31/50/51/609315051.db2.gz IGLLTVZOAOVKRI-LSDHHAIUSA-N -1 3 376.417 0.611 20 0 GCADHM CC(C)CN(C)S(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824255667 609315620 /nfs/dbraw/zinc/31/56/20/609315620.db2.gz SJTVOUGXVZCAEB-UHFFFAOYSA-N -1 3 380.478 0.216 20 0 GCADHM CC(C)CN(C)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824255667 609315622 /nfs/dbraw/zinc/31/56/22/609315622.db2.gz SJTVOUGXVZCAEB-UHFFFAOYSA-N -1 3 380.478 0.216 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000824961676 609317425 /nfs/dbraw/zinc/31/74/25/609317425.db2.gz GCQJBUWEFXABLL-GFCCVEGCSA-N -1 3 392.489 0.407 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000824961676 609317426 /nfs/dbraw/zinc/31/74/26/609317426.db2.gz GCQJBUWEFXABLL-GFCCVEGCSA-N -1 3 392.489 0.407 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000825492444 609318349 /nfs/dbraw/zinc/31/83/49/609318349.db2.gz FYAFLVZBWPKBSD-BXUZGUMPSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000825492444 609318351 /nfs/dbraw/zinc/31/83/51/609318351.db2.gz FYAFLVZBWPKBSD-BXUZGUMPSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000825492457 609318654 /nfs/dbraw/zinc/31/86/54/609318654.db2.gz FYAFLVZBWPKBSD-RISCZKNCSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000825492457 609318656 /nfs/dbraw/zinc/31/86/56/609318656.db2.gz FYAFLVZBWPKBSD-RISCZKNCSA-N -1 3 395.441 0.503 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826129712 609329526 /nfs/dbraw/zinc/32/95/26/609329526.db2.gz YYYJCCGYWRKCEC-CMPLNLGQSA-N -1 3 399.404 0.347 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826129712 609329528 /nfs/dbraw/zinc/32/95/28/609329528.db2.gz YYYJCCGYWRKCEC-CMPLNLGQSA-N -1 3 399.404 0.347 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826129757 609329613 /nfs/dbraw/zinc/32/96/13/609329613.db2.gz ZWENEECSVRVGTG-CHWSQXEVSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826129757 609329615 /nfs/dbraw/zinc/32/96/15/609329615.db2.gz ZWENEECSVRVGTG-CHWSQXEVSA-N -1 3 395.441 0.516 20 0 GCADHM O=C(CN1C(=O)CCC1=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826409513 609337583 /nfs/dbraw/zinc/33/75/83/609337583.db2.gz CRJRTQHMKUAPKL-UHFFFAOYSA-N -1 3 394.185 0.821 20 0 GCADHM O=C(CN1C(=O)CCC1=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826409513 609337584 /nfs/dbraw/zinc/33/75/84/609337584.db2.gz CRJRTQHMKUAPKL-UHFFFAOYSA-N -1 3 394.185 0.821 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826129671 609344429 /nfs/dbraw/zinc/34/44/29/609344429.db2.gz YDPIRPACOGEBAV-UONOGXRCSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826128901 609344736 /nfs/dbraw/zinc/34/47/36/609344736.db2.gz IPHXXSOJTJPYFL-WCQYABFASA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826128901 609344737 /nfs/dbraw/zinc/34/47/37/609344737.db2.gz IPHXXSOJTJPYFL-WCQYABFASA-N -1 3 375.385 0.425 20 0 GCADHM CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000825907833 609356574 /nfs/dbraw/zinc/35/65/74/609356574.db2.gz BNCREWFFOSXWQX-SMDDNHRTSA-N -1 3 376.392 0.954 20 0 GCADHM CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000825907833 609356576 /nfs/dbraw/zinc/35/65/76/609356576.db2.gz BNCREWFFOSXWQX-SMDDNHRTSA-N -1 3 376.392 0.954 20 0 GCADHM O=C(NCCn1cncn1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826440539 609359033 /nfs/dbraw/zinc/35/90/33/609359033.db2.gz QKZMDVRUWYXMMR-UHFFFAOYSA-N -1 3 383.351 0.605 20 0 GCADHM C[S@](=O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826224818 609359062 /nfs/dbraw/zinc/35/90/62/609359062.db2.gz MKZUQVDKGQAUSE-SANMLTNESA-N -1 3 378.393 0.692 20 0 GCADHM C[C@@H](NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(=O)N(C)C ZINC000826231815 609359327 /nfs/dbraw/zinc/35/93/27/609359327.db2.gz BFLBSAPLVHPWGM-SECBINFHSA-N -1 3 387.379 0.790 20 0 GCADHM COC(=O)CN(CC(=O)OC)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826138397 609364366 /nfs/dbraw/zinc/36/43/66/609364366.db2.gz SQICXRADINGZAE-UHFFFAOYSA-N -1 3 398.217 0.777 20 0 GCADHM COC(=O)CN(CC(=O)OC)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826138397 609364369 /nfs/dbraw/zinc/36/43/69/609364369.db2.gz SQICXRADINGZAE-UHFFFAOYSA-N -1 3 398.217 0.777 20 0 GCADHM O=C(NCCOCCO)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826438601 609364530 /nfs/dbraw/zinc/36/45/30/609364530.db2.gz JKXTXUOKBMHINV-UHFFFAOYSA-N -1 3 376.352 0.322 20 0 GCADHM C[C@H](CCO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824407718 609367689 /nfs/dbraw/zinc/36/76/89/609367689.db2.gz ZBEZDYKYTSBPSC-SECBINFHSA-N -1 3 388.363 0.017 20 0 GCADHM COC[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1)OC ZINC000826149297 609368881 /nfs/dbraw/zinc/36/88/81/609368881.db2.gz FBGOIKTYAXPSJE-GFCCVEGCSA-N -1 3 392.416 0.370 20 0 GCADHM COC[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1)OC ZINC000826149297 609368882 /nfs/dbraw/zinc/36/88/82/609368882.db2.gz FBGOIKTYAXPSJE-GFCCVEGCSA-N -1 3 392.416 0.370 20 0 GCADHM COC[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826148461 609369041 /nfs/dbraw/zinc/36/90/41/609369041.db2.gz JBDXMTYMISDBNI-SECBINFHSA-N -1 3 388.363 0.281 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000826129102 609369083 /nfs/dbraw/zinc/36/90/83/609369083.db2.gz JUCDBSYKEYRITG-ZIAGYGMSSA-N -1 3 391.428 0.907 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000826129102 609369084 /nfs/dbraw/zinc/36/90/84/609369084.db2.gz JUCDBSYKEYRITG-ZIAGYGMSSA-N -1 3 391.428 0.907 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(=O)N[C@@H]1CCOC1 ZINC000826458198 609369236 /nfs/dbraw/zinc/36/92/36/609369236.db2.gz HPTCLYZCIUVDSN-SECBINFHSA-N -1 3 386.347 0.035 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826129235 609373271 /nfs/dbraw/zinc/37/32/71/609373271.db2.gz MPKYEGPKFFEMGV-MWLCHTKSSA-N -1 3 380.430 0.519 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826129235 609373273 /nfs/dbraw/zinc/37/32/73/609373273.db2.gz MPKYEGPKFFEMGV-MWLCHTKSSA-N -1 3 380.430 0.519 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826469349 609376391 /nfs/dbraw/zinc/37/63/91/609376391.db2.gz CXRNKNIRORDTCK-ZDUSSCGKSA-N -1 3 393.473 0.661 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826469349 609376393 /nfs/dbraw/zinc/37/63/93/609376393.db2.gz CXRNKNIRORDTCK-ZDUSSCGKSA-N -1 3 393.473 0.661 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826391742 609386732 /nfs/dbraw/zinc/38/67/32/609386732.db2.gz ABFSMGRXXOLVNT-UHFFFAOYSA-N -1 3 395.379 0.974 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826391742 609386734 /nfs/dbraw/zinc/38/67/34/609386734.db2.gz ABFSMGRXXOLVNT-UHFFFAOYSA-N -1 3 395.379 0.974 20 0 GCADHM CNC(=O)[C@@H]1CN(c2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)CCO1 ZINC000826061112 609387616 /nfs/dbraw/zinc/38/76/16/609387616.db2.gz ZYAJDWPGJZEMJH-AWEZNQCLSA-N -1 3 392.423 0.927 20 0 GCADHM CNC(=O)[C@@H]1CN(c2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)CCO1 ZINC000826061112 609387617 /nfs/dbraw/zinc/38/76/17/609387617.db2.gz ZYAJDWPGJZEMJH-AWEZNQCLSA-N -1 3 392.423 0.927 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000824206202 609392423 /nfs/dbraw/zinc/39/24/23/609392423.db2.gz BBKWQCZKQPNNRN-HOCLYGCPSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000824206202 609392425 /nfs/dbraw/zinc/39/24/25/609392425.db2.gz BBKWQCZKQPNNRN-HOCLYGCPSA-N -1 3 385.428 0.853 20 0 GCADHM CCOc1ccc(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1 ZINC000825643299 609393617 /nfs/dbraw/zinc/39/36/17/609393617.db2.gz LEXRRRASFSCWNO-UHFFFAOYSA-N -1 3 390.429 0.446 20 0 GCADHM CCOc1ccc(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1 ZINC000825643299 609393619 /nfs/dbraw/zinc/39/36/19/609393619.db2.gz LEXRRRASFSCWNO-UHFFFAOYSA-N -1 3 390.429 0.446 20 0 GCADHM CCOc1ccc(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000825643929 609393700 /nfs/dbraw/zinc/39/37/00/609393700.db2.gz WWWMYRKCNZFJRN-UHFFFAOYSA-N -1 3 390.429 0.446 20 0 GCADHM CCOc1ccc(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000825643929 609393702 /nfs/dbraw/zinc/39/37/02/609393702.db2.gz WWWMYRKCNZFJRN-UHFFFAOYSA-N -1 3 390.429 0.446 20 0 GCADHM COC[C@](C)(CCO)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826148671 609396953 /nfs/dbraw/zinc/39/69/53/609396953.db2.gz ODKJPBASCODIIU-KRWDZBQOSA-N -1 3 386.416 0.152 20 0 GCADHM COC[C@](C)(CCO)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826148671 609396955 /nfs/dbraw/zinc/39/69/55/609396955.db2.gz ODKJPBASCODIIU-KRWDZBQOSA-N -1 3 386.416 0.152 20 0 GCADHM COC[C@](C)(CCO)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826148332 609397234 /nfs/dbraw/zinc/39/72/34/609397234.db2.gz FZHDHLAKNGWSES-SFHVURJKSA-N -1 3 390.444 0.879 20 0 GCADHM COC[C@](C)(CCO)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826148332 609397236 /nfs/dbraw/zinc/39/72/36/609397236.db2.gz FZHDHLAKNGWSES-SFHVURJKSA-N -1 3 390.444 0.879 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CCO1 ZINC000826060635 609403818 /nfs/dbraw/zinc/40/38/18/609403818.db2.gz PXHSPIJCUMQUQQ-CQSZACIVSA-N -1 3 389.416 0.633 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CCO1 ZINC000826060635 609403819 /nfs/dbraw/zinc/40/38/19/609403819.db2.gz PXHSPIJCUMQUQQ-CQSZACIVSA-N -1 3 389.416 0.633 20 0 GCADHM Cc1ccccc1[C@H](CO)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826305626 609406213 /nfs/dbraw/zinc/40/62/13/609406213.db2.gz DIHRDNXDFGUUGE-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1ccccc1[C@H](CO)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826305626 609406215 /nfs/dbraw/zinc/40/62/15/609406215.db2.gz DIHRDNXDFGUUGE-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)n(C)c1 ZINC000484763575 609407512 /nfs/dbraw/zinc/40/75/12/609407512.db2.gz OSRWVXYMGLRAHY-UHFFFAOYSA-N -1 3 375.414 0.708 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)n(C)c1 ZINC000484763575 609407513 /nfs/dbraw/zinc/40/75/13/609407513.db2.gz OSRWVXYMGLRAHY-UHFFFAOYSA-N -1 3 375.414 0.708 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826256443 609414572 /nfs/dbraw/zinc/41/45/72/609414572.db2.gz JZFSPTAEKRTOPV-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826256443 609414573 /nfs/dbraw/zinc/41/45/73/609414573.db2.gz JZFSPTAEKRTOPV-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cn(C)c1=O ZINC000826269405 609414660 /nfs/dbraw/zinc/41/46/60/609414660.db2.gz KRESKLKHSPZOAB-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cn(C)c1=O ZINC000826269405 609414661 /nfs/dbraw/zinc/41/46/61/609414661.db2.gz KRESKLKHSPZOAB-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM NC(=O)CCn1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826391686 609417673 /nfs/dbraw/zinc/41/76/73/609417673.db2.gz XCEDTASUXMPQKD-CQSZACIVSA-N -1 3 395.427 0.546 20 0 GCADHM NC(=O)CCn1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826391686 609417675 /nfs/dbraw/zinc/41/76/75/609417675.db2.gz XCEDTASUXMPQKD-CQSZACIVSA-N -1 3 395.427 0.546 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC000824019702 609420221 /nfs/dbraw/zinc/42/02/21/609420221.db2.gz LRDDQWNZJDLQDT-UHFFFAOYSA-N -1 3 383.456 0.814 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC000824019702 609420223 /nfs/dbraw/zinc/42/02/23/609420223.db2.gz LRDDQWNZJDLQDT-UHFFFAOYSA-N -1 3 383.456 0.814 20 0 GCADHM CCS(=O)(=O)NC1CCN(c2cc(-c3nnn[n-]3)ccc2C(C)=O)CC1 ZINC000825662846 609420522 /nfs/dbraw/zinc/42/05/22/609420522.db2.gz CCVKRGIQDMCEGC-UHFFFAOYSA-N -1 3 378.458 0.977 20 0 GCADHM CCS(=O)(=O)NC1CCN(c2cc(-c3nn[n-]n3)ccc2C(C)=O)CC1 ZINC000825662846 609420523 /nfs/dbraw/zinc/42/05/23/609420523.db2.gz CCVKRGIQDMCEGC-UHFFFAOYSA-N -1 3 378.458 0.977 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NN1Cc2ccccc2C1=O ZINC000826411756 609436069 /nfs/dbraw/zinc/43/60/69/609436069.db2.gz LXCZOFCACHZTKV-UHFFFAOYSA-N -1 3 377.364 0.284 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NN1Cc2ccccc2C1=O ZINC000826411756 609436072 /nfs/dbraw/zinc/43/60/72/609436072.db2.gz LXCZOFCACHZTKV-UHFFFAOYSA-N -1 3 377.364 0.284 20 0 GCADHM O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826480313 609438791 /nfs/dbraw/zinc/43/87/91/609438791.db2.gz XIEYSELVDDPZIC-GJZGRUSLSA-N -1 3 391.453 0.767 20 0 GCADHM O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826480313 609438793 /nfs/dbraw/zinc/43/87/93/609438793.db2.gz XIEYSELVDDPZIC-GJZGRUSLSA-N -1 3 391.453 0.767 20 0 GCADHM CCCNC(=O)C[C@@H](C(N)=O)N(CCC)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825328365 609439692 /nfs/dbraw/zinc/43/96/92/609439692.db2.gz QRCJUKLKWQCMKQ-HNNXBMFYSA-N -1 3 391.451 0.988 20 0 GCADHM CCNC(=O)NC(=O)CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825470932 609446131 /nfs/dbraw/zinc/44/61/31/609446131.db2.gz JQORHRHXQCLSQJ-UHFFFAOYSA-N -1 3 389.807 0.963 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000826486376 609447742 /nfs/dbraw/zinc/44/77/42/609447742.db2.gz AJDXUPIHDSAIEV-CQSZACIVSA-N -1 3 388.457 0.700 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000826486376 609447744 /nfs/dbraw/zinc/44/77/44/609447744.db2.gz AJDXUPIHDSAIEV-CQSZACIVSA-N -1 3 388.457 0.700 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000825875386 609455203 /nfs/dbraw/zinc/45/52/03/609455203.db2.gz NORBGACENQRDMJ-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000825875386 609455205 /nfs/dbraw/zinc/45/52/05/609455205.db2.gz NORBGACENQRDMJ-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CN1CCN(C(=O)C2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)CC1 ZINC000826034905 609461889 /nfs/dbraw/zinc/46/18/89/609461889.db2.gz YRJSBEQJHRGDRQ-UHFFFAOYSA-N -1 3 395.471 0.505 20 0 GCADHM O=C(Cn1ccccc1=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826424606 609464290 /nfs/dbraw/zinc/46/42/90/609464290.db2.gz UNVUSTOGYPYOLA-OAHLLOKOSA-N -1 3 394.391 0.767 20 0 GCADHM O=C(Cn1ccccc1=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826424606 609464291 /nfs/dbraw/zinc/46/42/91/609464291.db2.gz UNVUSTOGYPYOLA-OAHLLOKOSA-N -1 3 394.391 0.767 20 0 GCADHM CN1C[C@@H](C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826018321 609464641 /nfs/dbraw/zinc/46/46/41/609464641.db2.gz VWOOATNBHBMLHV-JSGCOSHPSA-N -1 3 384.396 0.384 20 0 GCADHM CN1C[C@@H](C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826018321 609464644 /nfs/dbraw/zinc/46/46/44/609464644.db2.gz VWOOATNBHBMLHV-JSGCOSHPSA-N -1 3 384.396 0.384 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825035192 609464748 /nfs/dbraw/zinc/46/47/48/609464748.db2.gz WXPIMSQSFNPMHN-FZMZJTMJSA-N -1 3 386.412 0.820 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825035192 609464751 /nfs/dbraw/zinc/46/47/51/609464751.db2.gz WXPIMSQSFNPMHN-FZMZJTMJSA-N -1 3 386.412 0.820 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCOCC3(CC3)C2)C1=O ZINC000824844281 609465446 /nfs/dbraw/zinc/46/54/46/609465446.db2.gz UXUPALBEKNLSGF-SFHVURJKSA-N -1 3 397.439 0.704 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCOCC3(CC3)C2)C1=O ZINC000824844281 609465448 /nfs/dbraw/zinc/46/54/48/609465448.db2.gz UXUPALBEKNLSGF-SFHVURJKSA-N -1 3 397.439 0.704 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1CCC(=O)NC1 ZINC000826479899 609466199 /nfs/dbraw/zinc/46/61/99/609466199.db2.gz LPKBXYYEVQMZJP-TZMCWYRMSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1CCC(=O)NC1 ZINC000826479899 609466202 /nfs/dbraw/zinc/46/62/02/609466202.db2.gz LPKBXYYEVQMZJP-TZMCWYRMSA-N -1 3 384.396 0.432 20 0 GCADHM CCOc1ccc(N2CCN(c3nnc(C)c(C)c3-c3nnn[n-]3)CC2)nn1 ZINC000825643068 609466197 /nfs/dbraw/zinc/46/61/97/609466197.db2.gz HLCXOTNSKFYLFS-UHFFFAOYSA-N -1 3 382.432 0.789 20 0 GCADHM CCOc1ccc(N2CCN(c3nnc(C)c(C)c3-c3nn[n-]n3)CC2)nn1 ZINC000825643068 609466200 /nfs/dbraw/zinc/46/62/00/609466200.db2.gz HLCXOTNSKFYLFS-UHFFFAOYSA-N -1 3 382.432 0.789 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824678019 609467777 /nfs/dbraw/zinc/46/77/77/609467777.db2.gz KANGNCWHENRZQN-SJKOYZFVSA-N -1 3 396.451 0.758 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824678019 609467780 /nfs/dbraw/zinc/46/77/80/609467780.db2.gz KANGNCWHENRZQN-SJKOYZFVSA-N -1 3 396.451 0.758 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2)nn1 ZINC000824706840 609471984 /nfs/dbraw/zinc/47/19/84/609471984.db2.gz KCJIMMLVUWPHDI-SSDOTTSWSA-N -1 3 376.327 0.487 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2)nn1 ZINC000824706840 609471986 /nfs/dbraw/zinc/47/19/86/609471986.db2.gz KCJIMMLVUWPHDI-SSDOTTSWSA-N -1 3 376.327 0.487 20 0 GCADHM C[C@H](O)c1cn(C2CN(C(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000824731156 609472023 /nfs/dbraw/zinc/47/20/23/609472023.db2.gz SGWXOJKWPHUGPN-QWRGUYRKSA-N -1 3 384.400 0.362 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)NC(=O)NC1CC1 ZINC000826162222 609483563 /nfs/dbraw/zinc/48/35/63/609483563.db2.gz SPLAXORCJUVLFB-UHFFFAOYSA-N -1 3 375.389 0.292 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)NC(=O)NC1CC1 ZINC000826162222 609483565 /nfs/dbraw/zinc/48/35/65/609483565.db2.gz SPLAXORCJUVLFB-UHFFFAOYSA-N -1 3 375.389 0.292 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)N1CCO[C@H](C)C1 ZINC000826162344 609483644 /nfs/dbraw/zinc/48/36/44/609483644.db2.gz XQQRCFGNAMBAQR-GFCCVEGCSA-N -1 3 376.417 0.551 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1CCO[C@H](C)C1 ZINC000826162344 609483646 /nfs/dbraw/zinc/48/36/46/609483646.db2.gz XQQRCFGNAMBAQR-GFCCVEGCSA-N -1 3 376.417 0.551 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)NCC(=O)OC(C)(C)C ZINC000826334870 609488846 /nfs/dbraw/zinc/48/88/46/609488846.db2.gz MXRTXVKDZVETQA-UHFFFAOYSA-N -1 3 398.427 0.892 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)NCC(=O)OC(C)(C)C ZINC000826334870 609488847 /nfs/dbraw/zinc/48/88/47/609488847.db2.gz MXRTXVKDZVETQA-UHFFFAOYSA-N -1 3 398.427 0.892 20 0 GCADHM C[C@@H](O)c1cn(C2CN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)nn1 ZINC000824708576 609489994 /nfs/dbraw/zinc/48/99/94/609489994.db2.gz YXBALTQKKUZZCR-SSDOTTSWSA-N -1 3 381.322 0.987 20 0 GCADHM C[C@@H](O)c1cn(C2CN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)nn1 ZINC000824708576 609489995 /nfs/dbraw/zinc/48/99/95/609489995.db2.gz YXBALTQKKUZZCR-SSDOTTSWSA-N -1 3 381.322 0.987 20 0 GCADHM COCCN1CCN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000826159478 609493378 /nfs/dbraw/zinc/49/33/78/609493378.db2.gz HMYICGXMRRSFBZ-UHFFFAOYSA-N -1 3 396.455 0.558 20 0 GCADHM COCCN1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000826159478 609493380 /nfs/dbraw/zinc/49/33/80/609493380.db2.gz HMYICGXMRRSFBZ-UHFFFAOYSA-N -1 3 396.455 0.558 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)no1 ZINC000826324995 609497473 /nfs/dbraw/zinc/49/74/73/609497473.db2.gz KJJKNUCWWIEXBJ-ZDUSSCGKSA-N -1 3 391.413 0.461 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)no1 ZINC000826324995 609497474 /nfs/dbraw/zinc/49/74/74/609497474.db2.gz KJJKNUCWWIEXBJ-ZDUSSCGKSA-N -1 3 391.413 0.461 20 0 GCADHM CCc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000825771616 609498837 /nfs/dbraw/zinc/49/88/37/609498837.db2.gz NFILXAAUXKBDCA-SECBINFHSA-N -1 3 392.420 0.453 20 0 GCADHM CCc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000825771616 609498838 /nfs/dbraw/zinc/49/88/38/609498838.db2.gz NFILXAAUXKBDCA-SECBINFHSA-N -1 3 392.420 0.453 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000825883686 609500983 /nfs/dbraw/zinc/50/09/83/609500983.db2.gz KJQUAKLTVRKTIX-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000825883686 609500986 /nfs/dbraw/zinc/50/09/86/609500986.db2.gz KJQUAKLTVRKTIX-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CCO2)no1 ZINC000826325397 609503416 /nfs/dbraw/zinc/50/34/16/609503416.db2.gz WIYRFXHRNUPZBW-IINYFYTJSA-N -1 3 385.384 0.926 20 0 GCADHM CC(C)N1CCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000824301137 609504208 /nfs/dbraw/zinc/50/42/08/609504208.db2.gz QYNSITWDDBLORT-AWEZNQCLSA-N -1 3 383.412 0.051 20 0 GCADHM CC(C)N1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000824301137 609504211 /nfs/dbraw/zinc/50/42/11/609504211.db2.gz QYNSITWDDBLORT-AWEZNQCLSA-N -1 3 383.412 0.051 20 0 GCADHM NC(=O)[C@H](N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389492 609508759 /nfs/dbraw/zinc/50/87/59/609508759.db2.gz ZPXHSSPTNSOKQQ-JKSUJKDBSA-N -1 3 392.423 0.573 20 0 GCADHM NC(=O)[C@H](N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389492 609508760 /nfs/dbraw/zinc/50/87/60/609508760.db2.gz ZPXHSSPTNSOKQQ-JKSUJKDBSA-N -1 3 392.423 0.573 20 0 GCADHM CCOC(=O)C1CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825499233 609511772 /nfs/dbraw/zinc/51/17/72/609511772.db2.gz IPOJNPYTOCQTMI-UHFFFAOYSA-N -1 3 379.442 0.972 20 0 GCADHM CCOC(=O)C1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825499233 609511774 /nfs/dbraw/zinc/51/17/74/609511774.db2.gz IPOJNPYTOCQTMI-UHFFFAOYSA-N -1 3 379.442 0.972 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000824744937 609514173 /nfs/dbraw/zinc/51/41/73/609514173.db2.gz JPQPUKSEIFQNMR-NWDGAFQWSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000824744937 609514178 /nfs/dbraw/zinc/51/41/78/609514178.db2.gz JPQPUKSEIFQNMR-NWDGAFQWSA-N -1 3 379.442 0.718 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCN(Cc2ccccn2)CC1 ZINC000826495838 609516732 /nfs/dbraw/zinc/51/67/32/609516732.db2.gz DFMHFLSVJIKCHI-UHFFFAOYSA-N -1 3 385.453 0.768 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCN(Cc2ccccn2)CC1 ZINC000826495838 609516734 /nfs/dbraw/zinc/51/67/34/609516734.db2.gz DFMHFLSVJIKCHI-UHFFFAOYSA-N -1 3 385.453 0.768 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(CC(=O)NC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826237941 609522279 /nfs/dbraw/zinc/52/22/79/609522279.db2.gz QXUHPAVEMNEOOQ-UHFFFAOYSA-N -1 3 378.868 0.870 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(CC(=O)NC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826237941 609522281 /nfs/dbraw/zinc/52/22/81/609522281.db2.gz QXUHPAVEMNEOOQ-UHFFFAOYSA-N -1 3 378.868 0.870 20 0 GCADHM O=S(=O)(NCc1nnc2n1CCC2)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492311 609537729 /nfs/dbraw/zinc/53/77/29/609537729.db2.gz CLERJXPVDGBIAB-UHFFFAOYSA-N -1 3 380.821 0.536 20 0 GCADHM O=S(=O)(NCc1nnc2n1CCC2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492311 609537730 /nfs/dbraw/zinc/53/77/30/609537730.db2.gz CLERJXPVDGBIAB-UHFFFAOYSA-N -1 3 380.821 0.536 20 0 GCADHM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826059971 609538838 /nfs/dbraw/zinc/53/88/38/609538838.db2.gz DHHMWVNTTAUCGL-LLVKDONJSA-N -1 3 384.849 0.809 20 0 GCADHM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826059971 609538840 /nfs/dbraw/zinc/53/88/40/609538840.db2.gz DHHMWVNTTAUCGL-LLVKDONJSA-N -1 3 384.849 0.809 20 0 GCADHM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826060436 609545736 /nfs/dbraw/zinc/54/57/36/609545736.db2.gz MQVFQIRLHWIOKZ-SNVBAGLBSA-N -1 3 384.849 0.667 20 0 GCADHM CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826060436 609545737 /nfs/dbraw/zinc/54/57/37/609545737.db2.gz MQVFQIRLHWIOKZ-SNVBAGLBSA-N -1 3 384.849 0.667 20 0 GCADHM CC(C)COC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824270771 609546615 /nfs/dbraw/zinc/54/66/15/609546615.db2.gz GKYYLHBTCXIXED-NSHDSACASA-N -1 3 389.865 0.832 20 0 GCADHM CC(C)COC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824270771 609546617 /nfs/dbraw/zinc/54/66/17/609546617.db2.gz GKYYLHBTCXIXED-NSHDSACASA-N -1 3 389.865 0.832 20 0 GCADHM O=C1CCC(=O)N1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826479934 609546727 /nfs/dbraw/zinc/54/67/27/609546727.db2.gz MJFCOOFJIVOLDT-UHFFFAOYSA-N -1 3 398.832 0.338 20 0 GCADHM O=C1CCC(=O)N1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826479934 609546728 /nfs/dbraw/zinc/54/67/28/609546728.db2.gz MJFCOOFJIVOLDT-UHFFFAOYSA-N -1 3 398.832 0.338 20 0 GCADHM CC(C)COC[C@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824270769 609546742 /nfs/dbraw/zinc/54/67/42/609546742.db2.gz GKYYLHBTCXIXED-LLVKDONJSA-N -1 3 389.865 0.832 20 0 GCADHM CC(C)COC[C@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824270769 609546743 /nfs/dbraw/zinc/54/67/43/609546743.db2.gz GKYYLHBTCXIXED-LLVKDONJSA-N -1 3 389.865 0.832 20 0 GCADHM O=S(=O)(NC[C@@H](O)COCC1CC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826489323 609550490 /nfs/dbraw/zinc/55/04/90/609550490.db2.gz MJZMJPPBUKAAAQ-LLVKDONJSA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NC[C@@H](O)COCC1CC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826489323 609550493 /nfs/dbraw/zinc/55/04/93/609550493.db2.gz MJZMJPPBUKAAAQ-LLVKDONJSA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H](OCCO)C1 ZINC000826494012 609550908 /nfs/dbraw/zinc/55/09/08/609550908.db2.gz LQVXINVIOTYWKH-NSHDSACASA-N -1 3 387.849 0.682 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H](OCCO)C1 ZINC000826494012 609550909 /nfs/dbraw/zinc/55/09/09/609550909.db2.gz LQVXINVIOTYWKH-NSHDSACASA-N -1 3 387.849 0.682 20 0 GCADHM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826124139 609553972 /nfs/dbraw/zinc/55/39/72/609553972.db2.gz PIOAKNNOJVENKP-CYBMUJFWSA-N -1 3 389.796 0.796 20 0 GCADHM COC(=O)[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826124139 609553975 /nfs/dbraw/zinc/55/39/75/609553975.db2.gz PIOAKNNOJVENKP-CYBMUJFWSA-N -1 3 389.796 0.796 20 0 GCADHM O=S(=O)(NC[C@]1(O)CCSC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826490145 609554624 /nfs/dbraw/zinc/55/46/24/609554624.db2.gz KXUCXWDFUJPQRL-GFCCVEGCSA-N -1 3 375.863 0.666 20 0 GCADHM O=S(=O)(NC[C@]1(O)CCSC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826490145 609554627 /nfs/dbraw/zinc/55/46/27/609554627.db2.gz KXUCXWDFUJPQRL-GFCCVEGCSA-N -1 3 375.863 0.666 20 0 GCADHM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826389643 609554809 /nfs/dbraw/zinc/55/48/09/609554809.db2.gz DHUASFVCFDVVPZ-ONGXEEELSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826389643 609554812 /nfs/dbraw/zinc/55/48/12/609554812.db2.gz DHUASFVCFDVVPZ-ONGXEEELSA-N -1 3 384.849 0.843 20 0 GCADHM O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826490568 609558468 /nfs/dbraw/zinc/55/84/68/609558468.db2.gz ZJIITADUQRBBOI-VIFPVBQESA-N -1 3 391.862 0.376 20 0 GCADHM O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826490568 609558469 /nfs/dbraw/zinc/55/84/69/609558469.db2.gz ZJIITADUQRBBOI-VIFPVBQESA-N -1 3 391.862 0.376 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826060794 609565133 /nfs/dbraw/zinc/56/51/33/609565133.db2.gz SYQBBLNFMLARHR-MWLCHTKSSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826060794 609565135 /nfs/dbraw/zinc/56/51/35/609565135.db2.gz SYQBBLNFMLARHR-MWLCHTKSSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826060795 609565216 /nfs/dbraw/zinc/56/52/16/609565216.db2.gz SYQBBLNFMLARHR-ONGXEEELSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826060795 609565217 /nfs/dbraw/zinc/56/52/17/609565217.db2.gz SYQBBLNFMLARHR-ONGXEEELSA-N -1 3 384.849 0.713 20 0 GCADHM Cc1cc(C(=O)NCc2ccc(C(N)=O)o2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260173 609571336 /nfs/dbraw/zinc/57/13/36/609571336.db2.gz ZQGCHNCVTMOKIL-UHFFFAOYSA-N -1 3 392.379 0.983 20 0 GCADHM Cc1cc(C(=O)NCc2ccc(C(N)=O)o2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260173 609571338 /nfs/dbraw/zinc/57/13/38/609571338.db2.gz ZQGCHNCVTMOKIL-UHFFFAOYSA-N -1 3 392.379 0.983 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000826337495 609571630 /nfs/dbraw/zinc/57/16/30/609571630.db2.gz QIEOAEHVJODSDC-SNVBAGLBSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000826337495 609571633 /nfs/dbraw/zinc/57/16/33/609571633.db2.gz QIEOAEHVJODSDC-SNVBAGLBSA-N -1 3 394.848 0.713 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826495316 609572606 /nfs/dbraw/zinc/57/26/06/609572606.db2.gz LDLUCEKARAUIJG-KBPBESRZSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826495316 609572608 /nfs/dbraw/zinc/57/26/08/609572608.db2.gz LDLUCEKARAUIJG-KBPBESRZSA-N -1 3 396.448 0.226 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000826255056 609574493 /nfs/dbraw/zinc/57/44/93/609574493.db2.gz JUQZLZMBYMVYJB-UHFFFAOYSA-N -1 3 388.457 0.852 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000826255056 609574495 /nfs/dbraw/zinc/57/44/95/609574495.db2.gz JUQZLZMBYMVYJB-UHFFFAOYSA-N -1 3 388.457 0.852 20 0 GCADHM CCCCCN(CC(N)=O)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825270606 609578533 /nfs/dbraw/zinc/57/85/33/609578533.db2.gz AHXFLIOMBHPUAZ-UHFFFAOYSA-N -1 3 384.437 0.813 20 0 GCADHM CCCCCN(CC(N)=O)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825270606 609578534 /nfs/dbraw/zinc/57/85/34/609578534.db2.gz AHXFLIOMBHPUAZ-UHFFFAOYSA-N -1 3 384.437 0.813 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CN1C1CC1 ZINC000826478867 609586241 /nfs/dbraw/zinc/58/62/41/609586241.db2.gz KWPAVRRJTSYIMK-VIFPVBQESA-N -1 3 396.860 0.809 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CN1C1CC1 ZINC000826478867 609586243 /nfs/dbraw/zinc/58/62/43/609586243.db2.gz KWPAVRRJTSYIMK-VIFPVBQESA-N -1 3 396.860 0.809 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2c[nH]cn2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476892 609588240 /nfs/dbraw/zinc/58/82/40/609588240.db2.gz RFAZONJVUMWUSZ-GFCCVEGCSA-N -1 3 388.413 0.064 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC000824301370 609604242 /nfs/dbraw/zinc/60/42/42/609604242.db2.gz VYRWPDIDADFWLZ-UHFFFAOYSA-N -1 3 377.836 0.693 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC000824301370 609604244 /nfs/dbraw/zinc/60/42/44/609604244.db2.gz VYRWPDIDADFWLZ-UHFFFAOYSA-N -1 3 377.836 0.693 20 0 GCADHM CN1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826023248 609608761 /nfs/dbraw/zinc/60/87/61/609608761.db2.gz ZQNGNUJBNUMIHV-UKRRQHHQSA-N -1 3 397.439 0.347 20 0 GCADHM CN1CC[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826023248 609608763 /nfs/dbraw/zinc/60/87/63/609608763.db2.gz ZQNGNUJBNUMIHV-UKRRQHHQSA-N -1 3 397.439 0.347 20 0 GCADHM COc1ncc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826221611 609610590 /nfs/dbraw/zinc/61/05/90/609610590.db2.gz MRATYXBWWFSESO-AWEZNQCLSA-N -1 3 394.395 0.591 20 0 GCADHM COc1ncc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826221611 609610591 /nfs/dbraw/zinc/61/05/91/609610591.db2.gz MRATYXBWWFSESO-AWEZNQCLSA-N -1 3 394.395 0.591 20 0 GCADHM O=S(=O)(NC[C@@H]1CCCCS1(=O)=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490273 609610761 /nfs/dbraw/zinc/61/07/61/609610761.db2.gz OVODDJAUVQHTLK-JTQLQIEISA-N -1 3 389.434 0.251 20 0 GCADHM CCCC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825224914 609611681 /nfs/dbraw/zinc/61/16/81/609611681.db2.gz GTNPXLURZQTKFQ-AWEZNQCLSA-N -1 3 385.428 0.395 20 0 GCADHM CCCC(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825224914 609611682 /nfs/dbraw/zinc/61/16/82/609611682.db2.gz GTNPXLURZQTKFQ-AWEZNQCLSA-N -1 3 385.428 0.395 20 0 GCADHM COCc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)no1 ZINC000826164328 609612293 /nfs/dbraw/zinc/61/22/93/609612293.db2.gz RDQZTRSDCQTFRY-AWEZNQCLSA-N -1 3 397.395 0.927 20 0 GCADHM COCc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)no1 ZINC000826164328 609612294 /nfs/dbraw/zinc/61/22/94/609612294.db2.gz RDQZTRSDCQTFRY-AWEZNQCLSA-N -1 3 397.395 0.927 20 0 GCADHM Cn1cc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000826358801 609613245 /nfs/dbraw/zinc/61/32/45/609613245.db2.gz JBROICMANZVPCM-UHFFFAOYSA-N -1 3 376.760 0.275 20 0 GCADHM Cn1cc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000826358801 609613247 /nfs/dbraw/zinc/61/32/47/609613247.db2.gz JBROICMANZVPCM-UHFFFAOYSA-N -1 3 376.760 0.275 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@H](C(=O)OC)C1 ZINC000826133774 609624520 /nfs/dbraw/zinc/62/45/20/609624520.db2.gz PLNXHFLUHZYIDJ-RZEIDYGVSA-N -1 3 399.407 0.833 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@H](C(=O)OC)C1 ZINC000826133774 609624521 /nfs/dbraw/zinc/62/45/21/609624521.db2.gz PLNXHFLUHZYIDJ-RZEIDYGVSA-N -1 3 399.407 0.833 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2C)[C@H](C(=O)OC)C1 ZINC000826134182 609624916 /nfs/dbraw/zinc/62/49/16/609624916.db2.gz UETVVZCBECZRHT-OCCSQVGLSA-N -1 3 387.396 0.742 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2C)[C@H](C(=O)OC)C1 ZINC000826134182 609624918 /nfs/dbraw/zinc/62/49/18/609624918.db2.gz UETVVZCBECZRHT-OCCSQVGLSA-N -1 3 387.396 0.742 20 0 GCADHM Cn1cc(N2CCC[C@@H](OC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826362313 609628221 /nfs/dbraw/zinc/62/82/21/609628221.db2.gz 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1205898214 /nfs/dbraw/zinc/89/82/14/1205898214.db2.gz OWBLYLOCZVWHBB-UHFFFAOYSA-N -1 3 384.327 0.769 20 0 GCADHM CN(C(=O)c1ccccc1)C1CCN(C(=O)Cn2cc(F)c(=O)[n-]c2=O)CC1 ZINC001183659568 1205898238 /nfs/dbraw/zinc/89/82/38/1205898238.db2.gz AWDCSCYYLKXABE-UHFFFAOYSA-N -1 3 388.399 0.851 20 0 GCADHM O=C(Cn1cc(F)c(=O)[n-]c1=O)NCc1ccnc(N2CCCCCC2=O)c1 ZINC001183663457 1205898514 /nfs/dbraw/zinc/89/85/14/1205898514.db2.gz DZTJPGJGEATFHT-UHFFFAOYSA-N -1 3 389.387 0.706 20 0 GCADHM CCOc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC001183878607 1205901958 /nfs/dbraw/zinc/90/19/58/1205901958.db2.gz MBBOLHFVYNUUFM-GFCCVEGCSA-N -1 3 394.453 0.808 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC2(CC1)C[C@H](O)CCO2 ZINC001184358031 1205907858 /nfs/dbraw/zinc/90/78/58/1205907858.db2.gz VZFHLYFOAHGKFC-CYBMUJFWSA-N -1 3 387.458 0.102 20 0 GCADHM Cc1ccc(S(=O)(=O)N2CCC(=O)N(CCN(C)C)CC2)cc1C(=O)[O-] ZINC001184687577 1205913109 /nfs/dbraw/zinc/91/31/09/1205913109.db2.gz 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O=C(C1CCOCC1)N1CCC([N-]S(=O)(=O)c2cnc(Cl)nc2)CC1 ZINC001185076108 1205916702 /nfs/dbraw/zinc/91/67/02/1205916702.db2.gz SCDMCKDMABOSID-UHFFFAOYSA-N -1 3 388.877 0.826 20 0 GCADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]Cc1cccnc1N1CCOCC1 ZINC001185194269 1205918228 /nfs/dbraw/zinc/91/82/28/1205918228.db2.gz JYJUGSPAWBGUEW-UHFFFAOYSA-N -1 3 388.453 0.748 20 0 GCADHM O=S(=O)(CC[N-]S(=O)(=O)c1cccc(Br)n1)NC1CC1 ZINC001185316570 1205920406 /nfs/dbraw/zinc/92/04/06/1205920406.db2.gz AORJSBQKHIRLIO-UHFFFAOYSA-N -1 3 384.277 0.204 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC(N2CCOCC2)CC1 ZINC001185565905 1205924176 /nfs/dbraw/zinc/92/41/76/1205924176.db2.gz GDYKUYCDMLCVPL-UHFFFAOYSA-N -1 3 378.458 0.352 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCOCC2)CC1 ZINC001185565905 1205924177 /nfs/dbraw/zinc/92/41/77/1205924177.db2.gz GDYKUYCDMLCVPL-UHFFFAOYSA-N -1 3 378.458 0.352 20 0 GCADHM COC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)Cc2cn(C)nc21 ZINC001185574455 1205924242 /nfs/dbraw/zinc/92/42/42/1205924242.db2.gz BDPJFKMYZHKRSC-CYBMUJFWSA-N -1 3 389.441 0.535 20 0 GCADHM COC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)Cc2cn(C)nc21 ZINC001185574455 1205924244 /nfs/dbraw/zinc/92/42/44/1205924244.db2.gz BDPJFKMYZHKRSC-CYBMUJFWSA-N -1 3 389.441 0.535 20 0 GCADHM CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185588552 1205924891 /nfs/dbraw/zinc/92/48/91/1205924891.db2.gz QNVQCHOIZVSZPU-GFCCVEGCSA-N -1 3 383.455 0.536 20 0 GCADHM CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185588552 1205924893 /nfs/dbraw/zinc/92/48/93/1205924893.db2.gz QNVQCHOIZVSZPU-GFCCVEGCSA-N -1 3 383.455 0.536 20 0 GCADHM O=C1N(c2ccccc2)CC12CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001185589374 1205925078 /nfs/dbraw/zinc/92/50/78/1205925078.db2.gz UUXNZRPCVAHUEW-UHFFFAOYSA-N -1 3 396.432 0.904 20 0 GCADHM O=C1N(c2ccccc2)CC12CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185589374 1205925079 /nfs/dbraw/zinc/92/50/79/1205925079.db2.gz UUXNZRPCVAHUEW-UHFFFAOYSA-N -1 3 396.432 0.904 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001185591550 1205925278 /nfs/dbraw/zinc/92/52/78/1205925278.db2.gz COWIOYMKNVVMRY-LBPRGKRZSA-N -1 3 391.388 0.638 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001185591550 1205925280 /nfs/dbraw/zinc/92/52/80/1205925280.db2.gz COWIOYMKNVVMRY-LBPRGKRZSA-N -1 3 391.388 0.638 20 0 GCADHM Cc1ccnc(O[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001185593385 1205925294 /nfs/dbraw/zinc/92/52/94/1205925294.db2.gz SVSYMTVUBHFBTF-CYBMUJFWSA-N -1 3 387.425 0.807 20 0 GCADHM Cc1ccnc(O[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001185593385 1205925296 /nfs/dbraw/zinc/92/52/96/1205925296.db2.gz SVSYMTVUBHFBTF-CYBMUJFWSA-N -1 3 387.425 0.807 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC(Oc2ccncn2)CC1 ZINC001185593840 1205925372 /nfs/dbraw/zinc/92/53/72/1205925372.db2.gz XLMOWUIFOSGOLL-UHFFFAOYSA-N -1 3 387.425 0.889 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC(Oc2ccncn2)CC1 ZINC001185593840 1205925373 /nfs/dbraw/zinc/92/53/73/1205925373.db2.gz XLMOWUIFOSGOLL-UHFFFAOYSA-N -1 3 387.425 0.889 20 0 GCADHM Cn1cc2c(n1)[C@H](CNS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)OCC2 ZINC001185614258 1205925709 /nfs/dbraw/zinc/92/57/09/1205925709.db2.gz QLYFRZHHSUKIHV-ZDUSSCGKSA-N -1 3 375.414 0.193 20 0 GCADHM Cn1cc2c(n1)[C@H](CNS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)OCC2 ZINC001185614258 1205925711 /nfs/dbraw/zinc/92/57/11/1205925711.db2.gz QLYFRZHHSUKIHV-ZDUSSCGKSA-N -1 3 375.414 0.193 20 0 GCADHM CCOCc1ncn2c1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001185578593 1205925878 /nfs/dbraw/zinc/92/58/78/1205925878.db2.gz KKZBHLHERLSVDT-UHFFFAOYSA-N -1 3 389.441 0.804 20 0 GCADHM CCOCc1ncn2c1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185578593 1205925879 /nfs/dbraw/zinc/92/58/79/1205925879.db2.gz KKZBHLHERLSVDT-UHFFFAOYSA-N -1 3 389.441 0.804 20 0 GCADHM O=C(C1CCC1)N1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185582558 1205925984 /nfs/dbraw/zinc/92/59/84/1205925984.db2.gz IMEXXHAQBBICEN-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM O=C(C1CCC1)N1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185582558 1205925985 /nfs/dbraw/zinc/92/59/85/1205925985.db2.gz IMEXXHAQBBICEN-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM CCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185583122 1205926051 /nfs/dbraw/zinc/92/60/51/1205926051.db2.gz KHZGCRBOFGESIC-AWEZNQCLSA-N -1 3 378.458 0.936 20 0 GCADHM CCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185583122 1205926052 /nfs/dbraw/zinc/92/60/52/1205926052.db2.gz KHZGCRBOFGESIC-AWEZNQCLSA-N -1 3 378.458 0.936 20 0 GCADHM O=S(=O)(N[C@@H](CO)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628503 1205926087 /nfs/dbraw/zinc/92/60/87/1205926087.db2.gz QMFWHPBPPZERBJ-CQSZACIVSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(N[C@@H](CO)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628503 1205926088 /nfs/dbraw/zinc/92/60/88/1205926088.db2.gz QMFWHPBPPZERBJ-CQSZACIVSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001185579635 1205926148 /nfs/dbraw/zinc/92/61/48/1205926148.db2.gz ZTXCUSKLDOHVAR-OKILXGFUSA-N -1 3 398.452 0.414 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001185579635 1205926149 /nfs/dbraw/zinc/92/61/49/1205926149.db2.gz ZTXCUSKLDOHVAR-OKILXGFUSA-N -1 3 398.452 0.414 20 0 GCADHM O=S(=O)(NCc1cccc(OC2COC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185637491 1205926334 /nfs/dbraw/zinc/92/63/34/1205926334.db2.gz DMHXFPLODMVZHL-UHFFFAOYSA-N -1 3 388.409 0.518 20 0 GCADHM O=S(=O)(NCc1cccc(OC2COC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185637491 1205926335 /nfs/dbraw/zinc/92/63/35/1205926335.db2.gz DMHXFPLODMVZHL-UHFFFAOYSA-N -1 3 388.409 0.518 20 0 GCADHM CC(C)(C)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185642439 1205926367 /nfs/dbraw/zinc/92/63/67/1205926367.db2.gz RRXYXPFQDCWVQB-HNNXBMFYSA-N -1 3 394.501 0.892 20 0 GCADHM CC(C)(C)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185642439 1205926368 /nfs/dbraw/zinc/92/63/68/1205926368.db2.gz RRXYXPFQDCWVQB-HNNXBMFYSA-N -1 3 394.501 0.892 20 0 GCADHM CCC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCS(=O)(=O)CC1 ZINC001185639133 1205926383 /nfs/dbraw/zinc/92/63/83/1205926383.db2.gz YUCCWTZCUDAKQR-UHFFFAOYSA-N -1 3 385.471 0.502 20 0 GCADHM CCC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCS(=O)(=O)CC1 ZINC001185639133 1205926385 /nfs/dbraw/zinc/92/63/85/1205926385.db2.gz YUCCWTZCUDAKQR-UHFFFAOYSA-N -1 3 385.471 0.502 20 0 GCADHM O=C1CCC2(CCC(CNS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)N1 ZINC001185620702 1205926910 /nfs/dbraw/zinc/92/69/10/1205926910.db2.gz NXDHFYYFULTEOQ-UHFFFAOYSA-N -1 3 390.469 0.984 20 0 GCADHM O=C1CCC2(CCC(CNS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)N1 ZINC001185620702 1205926912 /nfs/dbraw/zinc/92/69/12/1205926912.db2.gz NXDHFYYFULTEOQ-UHFFFAOYSA-N -1 3 390.469 0.984 20 0 GCADHM CCOC(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185623517 1205927035 /nfs/dbraw/zinc/92/70/35/1205927035.db2.gz IOGOEEANWNXGQN-UHFFFAOYSA-N -1 3 388.409 0.917 20 0 GCADHM CCOC(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185623517 1205927036 /nfs/dbraw/zinc/92/70/36/1205927036.db2.gz IOGOEEANWNXGQN-UHFFFAOYSA-N -1 3 388.409 0.917 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCc2ccccc21 ZINC001185623020 1205927039 /nfs/dbraw/zinc/92/70/39/1205927039.db2.gz VVBRUSMPMXTJJL-UHFFFAOYSA-N -1 3 384.421 0.734 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc21 ZINC001185623020 1205927041 /nfs/dbraw/zinc/92/70/41/1205927041.db2.gz VVBRUSMPMXTJJL-UHFFFAOYSA-N -1 3 384.421 0.734 20 0 GCADHM O=C(COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000774975465 1205934814 /nfs/dbraw/zinc/93/48/14/1205934814.db2.gz XATZPTNVSKKTEG-NSHDSACASA-N -1 3 398.293 0.849 20 0 GCADHM CCS(=O)(CC)=NS(=O)(=O)[N-]Cc1ccc(N(C)S(C)(=O)=O)cc1 ZINC001186644755 1205944995 /nfs/dbraw/zinc/94/49/95/1205944995.db2.gz VBDJHUDFTNZIGW-UHFFFAOYSA-N -1 3 397.544 0.925 20 0 GCADHM CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCc2c(C)[n-][nH]c2=O)C1 ZINC001186806491 1205947768 /nfs/dbraw/zinc/94/77/68/1205947768.db2.gz MAJWUXOGBJQWMD-ACJLOTCBSA-N -1 3 379.413 0.590 20 0 GCADHM COc1ccc(OC)c([C@@H](O)CNC(=O)C[N-]S(=O)(=O)c2ccco2)c1 ZINC001186876583 1205950273 /nfs/dbraw/zinc/95/02/73/1205950273.db2.gz DWZSHBFJZICLMX-ZDUSSCGKSA-N -1 3 384.410 0.425 20 0 GCADHM CSCC[C@H](NC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccco1)C(N)=O ZINC001186886725 1205950290 /nfs/dbraw/zinc/95/02/90/1205950290.db2.gz JRRJOQNAASDORI-RYUDHWBXSA-N -1 3 391.515 0.696 20 0 GCADHM O=C(CNC(=O)c1ccccc1-c1nnn[n-]1)NCC(=O)OCc1ccccc1 ZINC001187006679 1205953463 /nfs/dbraw/zinc/95/34/63/1205953463.db2.gz HBTHZUCDDUDDQV-UHFFFAOYSA-N -1 3 394.391 0.456 20 0 GCADHM O=C(CNC(=O)c1ccccc1-c1nn[n-]n1)NCC(=O)OCc1ccccc1 ZINC001187006679 1205953465 /nfs/dbraw/zinc/95/34/65/1205953465.db2.gz HBTHZUCDDUDDQV-UHFFFAOYSA-N -1 3 394.391 0.456 20 0 GCADHM O=C(c1ccccc1-c1nnn[n-]1)N1CCC(N2CCCCS2(=O)=O)CC1 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20 0 GCADHM CN(C(=O)c1cn(C)nn1)[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571258633 945359834 /nfs/dbraw/zinc/35/98/34/945359834.db2.gz XWSGFAWECNFFEW-CYBMUJFWSA-N -1 3 385.407 0.481 20 0 GCADHM Cc1c(C(=O)N[C@]2(C)CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)cnn1C ZINC001571258673 945360869 /nfs/dbraw/zinc/36/08/69/945360869.db2.gz YUVLDHFVRWIYEV-QGZVFWFLSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1c(C(=O)N[C@]2(C)CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)cnn1C ZINC001571258673 945360879 /nfs/dbraw/zinc/36/08/79/945360879.db2.gz YUVLDHFVRWIYEV-QGZVFWFLSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1cnn(CC(=O)NC2CC(CNc3ncc(-c4nnn[n-]4)cc3F)C2)c1 ZINC001571258683 945362266 /nfs/dbraw/zinc/36/22/66/945362266.db2.gz YYTJCDIVTXVJIJ-UHFFFAOYSA-N -1 3 385.407 0.913 20 0 GCADHM Cc1cnn(CC(=O)NC2CC(CNc3ncc(-c4nn[n-]n4)cc3F)C2)c1 ZINC001571258683 945362275 /nfs/dbraw/zinc/36/22/75/945362275.db2.gz YYTJCDIVTXVJIJ-UHFFFAOYSA-N -1 3 385.407 0.913 20 0 GCADHM CCCc1noc(CN[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571258737 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NCXHMBRKYYLQDM-UHFFFAOYSA-N -1 3 395.445 0.547 20 0 GCADHM CCOC(=O)N1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000736600510 944851866 /nfs/dbraw/zinc/85/18/66/944851866.db2.gz NCXHMBRKYYLQDM-UHFFFAOYSA-N -1 3 395.445 0.547 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736601484 944853921 /nfs/dbraw/zinc/85/39/21/944853921.db2.gz YXMKKRBNUCNIKZ-UHFFFAOYSA-N -1 3 384.393 0.469 20 0 GCADHM COC[C@@](C)(O)CNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736969601 944922593 /nfs/dbraw/zinc/92/25/93/944922593.db2.gz WYLNUWXGIONEKO-INIZCTEOSA-N -1 3 380.474 0.797 20 0 GCADHM COC[C@@](C)(O)CNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736969601 944922599 /nfs/dbraw/zinc/92/25/99/944922599.db2.gz WYLNUWXGIONEKO-INIZCTEOSA-N -1 3 380.474 0.797 20 0 GCADHM COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737122734 944963756 /nfs/dbraw/zinc/96/37/56/944963756.db2.gz WNQFEKJDOUZZPG-UHFFFAOYSA-N -1 3 393.407 0.869 20 0 GCADHM COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737122734 944963759 /nfs/dbraw/zinc/96/37/59/944963759.db2.gz WNQFEKJDOUZZPG-UHFFFAOYSA-N -1 3 393.407 0.869 20 0 GCADHM C[S@](=O)CCN1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737171442 944973823 /nfs/dbraw/zinc/97/38/23/944973823.db2.gz AZKCITZWGMVTOQ-SANMLTNESA-N -1 3 394.526 0.482 20 0 GCADHM C[S@](=O)CCN1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737171442 944973833 /nfs/dbraw/zinc/97/38/33/944973833.db2.gz AZKCITZWGMVTOQ-SANMLTNESA-N -1 3 394.526 0.482 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000737298963 945031964 /nfs/dbraw/zinc/03/19/64/945031964.db2.gz NFBYDTZBCHQDEP-MRXNPFEDSA-N -1 3 398.448 0.949 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000737298963 945031977 /nfs/dbraw/zinc/03/19/77/945031977.db2.gz NFBYDTZBCHQDEP-MRXNPFEDSA-N -1 3 398.448 0.949 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571258884 945370686 /nfs/dbraw/zinc/37/06/86/945370686.db2.gz DOKACQQAKXVXLZ-RABLLNBGSA-N -1 3 385.428 0.626 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571258884 945370693 /nfs/dbraw/zinc/37/06/93/945370693.db2.gz DOKACQQAKXVXLZ-RABLLNBGSA-N -1 3 385.428 0.626 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571258901 945370914 /nfs/dbraw/zinc/37/09/14/945370914.db2.gz DZTPFBKOPVENAB-VEPFAGFCSA-N -1 3 385.428 0.102 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571258901 945370929 /nfs/dbraw/zinc/37/09/29/945370929.db2.gz DZTPFBKOPVENAB-VEPFAGFCSA-N -1 3 385.428 0.102 20 0 GCADHM CCc1nc(CN2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)no1 ZINC001571259111 945375707 /nfs/dbraw/zinc/37/57/07/945375707.db2.gz HSQCZLPYPHZHGU-PWSUYJOCSA-N -1 3 385.432 0.923 20 0 GCADHM CCc1nc(CN2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)no1 ZINC001571259111 945375715 /nfs/dbraw/zinc/37/57/15/945375715.db2.gz HSQCZLPYPHZHGU-PWSUYJOCSA-N -1 3 385.432 0.923 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C1CC2(CC2)C1 ZINC001571259176 945378550 /nfs/dbraw/zinc/37/85/50/945378550.db2.gz IZBCHXYDCDSPIG-TZMCWYRMSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C1CC2(CC2)C1 ZINC001571259176 945378564 /nfs/dbraw/zinc/37/85/64/945378564.db2.gz IZBCHXYDCDSPIG-TZMCWYRMSA-N -1 3 385.428 0.077 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCCN(C(=O)C[C@H]3COC(=O)C3)CC2)n1 ZINC001571259177 945378806 /nfs/dbraw/zinc/37/88/06/945378806.db2.gz JASRISFIKGSAEZ-CYBMUJFWSA-N -1 3 385.428 0.562 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCCN(C(=O)C[C@H]3COC(=O)C3)CC2)n1 ZINC001571259177 945378820 /nfs/dbraw/zinc/37/88/20/945378820.db2.gz JASRISFIKGSAEZ-CYBMUJFWSA-N -1 3 385.428 0.562 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571259270 945380119 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385.428 1.000 20 0 GCADHM O=C(NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1=COCCC1 ZINC001571259387 945386698 /nfs/dbraw/zinc/38/66/98/945386698.db2.gz MHRGVMDVJIESJA-CYBMUJFWSA-N -1 3 385.428 1.000 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571259434 945387693 /nfs/dbraw/zinc/38/76/93/945387693.db2.gz NEVOKKJRVUOCIS-XYPYZODXSA-N -1 3 385.432 0.926 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571259434 945387704 /nfs/dbraw/zinc/38/77/04/945387704.db2.gz NEVOKKJRVUOCIS-XYPYZODXSA-N -1 3 385.432 0.926 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571259579 945390468 /nfs/dbraw/zinc/39/04/68/945390468.db2.gz OWHJDDODDBXXPY-NWANDNLSSA-N -1 3 385.428 0.604 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571259579 945390474 /nfs/dbraw/zinc/39/04/74/945390474.db2.gz OWHJDDODDBXXPY-NWANDNLSSA-N -1 3 385.428 0.604 20 0 GCADHM 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C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCOC1 ZINC000820450164 945453534 /nfs/dbraw/zinc/45/35/34/945453534.db2.gz HOGYUSXJTQVINS-VXGBXAGGSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCOC1 ZINC000820450164 945453538 /nfs/dbraw/zinc/45/35/38/945453538.db2.gz HOGYUSXJTQVINS-VXGBXAGGSA-N -1 3 394.457 0.076 20 0 GCADHM Cc1nnc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)s1 ZINC001571263330 945456395 /nfs/dbraw/zinc/45/63/95/945456395.db2.gz NBFIRBHBWOIAQB-WZRBSPASSA-N -1 3 385.457 0.890 20 0 GCADHM Cc1nnc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)s1 ZINC001571263330 945456398 /nfs/dbraw/zinc/45/63/98/945456398.db2.gz NBFIRBHBWOIAQB-WZRBSPASSA-N -1 3 385.457 0.890 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820467155 945457409 /nfs/dbraw/zinc/45/74/09/945457409.db2.gz BBTSONFXPVQAMN-YGRLFVJLSA-N -1 3 375.385 0.064 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@@]2(CCN(Cc3cnsn3)C2)C1 ZINC001571263861 945469071 /nfs/dbraw/zinc/46/90/71/945469071.db2.gz YOCNCMNDPYWYKQ-MRXNPFEDSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@]2(CCN(Cc3cnsn3)C2)C1 ZINC001571263861 945469078 /nfs/dbraw/zinc/46/90/78/945469078.db2.gz YOCNCMNDPYWYKQ-MRXNPFEDSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(CN1CCCC1)N1CCCCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571264927 945494639 /nfs/dbraw/zinc/49/46/39/945494639.db2.gz ASSROUBSGIHXQW-CQSZACIVSA-N -1 3 385.476 0.358 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)NC(=O)NC1=O ZINC000820607722 945498701 /nfs/dbraw/zinc/49/87/01/945498701.db2.gz YJYVBDHXATURMR-UGSOOPFHSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)NC(=O)NC1=O ZINC000820607722 945498705 /nfs/dbraw/zinc/49/87/05/945498705.db2.gz YJYVBDHXATURMR-UGSOOPFHSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820607229 945499427 /nfs/dbraw/zinc/49/94/27/945499427.db2.gz MZOAXJMRSOSRSB-QUEUSCEUSA-N -1 3 395.423 0.717 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820607229 945499433 /nfs/dbraw/zinc/49/94/33/945499433.db2.gz MZOAXJMRSOSRSB-QUEUSCEUSA-N -1 3 395.423 0.717 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820607231 945499534 /nfs/dbraw/zinc/49/95/34/945499534.db2.gz MZOAXJMRSOSRSB-WTZLHQHDSA-N -1 3 395.423 0.717 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820607231 945499542 /nfs/dbraw/zinc/49/95/42/945499542.db2.gz MZOAXJMRSOSRSB-WTZLHQHDSA-N -1 3 395.423 0.717 20 0 GCADHM CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571265308 945507832 /nfs/dbraw/zinc/50/78/32/945507832.db2.gz GYMBBVSIMSXYIT-KBPBESRZSA-N -1 3 385.476 0.474 20 0 GCADHM CN1CCCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265308 945507840 /nfs/dbraw/zinc/50/78/40/945507840.db2.gz GYMBBVSIMSXYIT-KBPBESRZSA-N -1 3 385.476 0.474 20 0 GCADHM CN1CCC[C@@H]1C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001571266034 945528582 /nfs/dbraw/zinc/52/85/82/945528582.db2.gz UGMKQOZPRBDSND-UKRRQHHQSA-N -1 3 385.476 0.616 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571266180 945533583 /nfs/dbraw/zinc/53/35/83/945533583.db2.gz XQSIBLPRAYHQNF-ZIAGYGMSSA-N -1 3 385.476 0.790 20 0 GCADHM CC1(C)CN(c2cncc(-c3nnn[n-]3)n2)CC[C@H]1NC(=O)CN1CCCC1 ZINC001571266230 945534950 /nfs/dbraw/zinc/53/49/50/945534950.db2.gz OAVKSDJNHRFAMS-CQSZACIVSA-N -1 3 385.476 0.474 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001571266436 945541233 /nfs/dbraw/zinc/54/12/33/945541233.db2.gz QPUWNZLMRJDTQF-WPRPVWTQSA-N -1 3 385.475 0.768 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001571266436 945541239 /nfs/dbraw/zinc/54/12/39/945541239.db2.gz QPUWNZLMRJDTQF-WPRPVWTQSA-N -1 3 385.475 0.768 20 0 GCADHM CCCC(=O)N1CCN([C@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571266486 945543686 /nfs/dbraw/zinc/54/36/86/945543686.db2.gz RSTAARCHPSWRNH-AWEZNQCLSA-N -1 3 385.476 0.488 20 0 GCADHM COc1nc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)co1 ZINC001571267074 945560411 /nfs/dbraw/zinc/56/04/11/945560411.db2.gz INJXBSYSUASCGV-NSHDSACASA-N -1 3 386.372 0.211 20 0 GCADHM COc1nc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)co1 ZINC001571267074 945560420 /nfs/dbraw/zinc/56/04/20/945560420.db2.gz INJXBSYSUASCGV-NSHDSACASA-N -1 3 386.372 0.211 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C[C@@H]2O)co1 ZINC001571267045 945561017 /nfs/dbraw/zinc/56/10/17/945561017.db2.gz HRSOIJBJVYBZHS-CVEARBPZSA-N -1 3 386.387 0.882 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C[C@@H]2O)co1 ZINC001571267045 945561023 /nfs/dbraw/zinc/56/10/23/945561023.db2.gz HRSOIJBJVYBZHS-CVEARBPZSA-N -1 3 386.387 0.882 20 0 GCADHM CCOc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571267182 945563345 /nfs/dbraw/zinc/56/33/45/945563345.db2.gz LYLLDGWVLNDEBR-AOOOYVTPSA-N -1 3 386.372 0.272 20 0 GCADHM CCOc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571267182 945563350 /nfs/dbraw/zinc/56/33/50/945563350.db2.gz LYLLDGWVLNDEBR-AOOOYVTPSA-N -1 3 386.372 0.272 20 0 GCADHM COc1nn(C)cc1C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571267218 945565759 /nfs/dbraw/zinc/56/57/59/945565759.db2.gz MVJARFXGOZLFSH-UHFFFAOYSA-N -1 3 386.391 0.362 20 0 GCADHM COc1nn(C)cc1C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571267218 945565765 /nfs/dbraw/zinc/56/57/65/945565765.db2.gz MVJARFXGOZLFSH-UHFFFAOYSA-N -1 3 386.391 0.362 20 0 GCADHM O=C(NC[C@H]1CN(C/C(Cl)=C\Cl)CCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571267532 945573444 /nfs/dbraw/zinc/57/34/44/945573444.db2.gz YFDCWFNDXMBFCI-CYNRKNSPSA-N -1 3 386.243 0.944 20 0 GCADHM O=C(NC[C@H]1CN(C/C(Cl)=C\Cl)CCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571267532 945573449 /nfs/dbraw/zinc/57/34/49/945573449.db2.gz YFDCWFNDXMBFCI-CYNRKNSPSA-N -1 3 386.243 0.944 20 0 GCADHM COc1cc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)c(F)cc1-c1nnn[n-]1 ZINC001571267677 945574710 /nfs/dbraw/zinc/57/47/10/945574710.db2.gz BPSHKBVWQXZVIW-LBPRGKRZSA-N -1 3 386.409 0.527 20 0 GCADHM COc1cc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)c(F)cc1-c1nn[n-]n1 ZINC001571267677 945574722 /nfs/dbraw/zinc/57/47/22/945574722.db2.gz BPSHKBVWQXZVIW-LBPRGKRZSA-N -1 3 386.409 0.527 20 0 GCADHM C[C@@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CN1C(=O)CCn1ccnn1 ZINC001571267690 945576747 /nfs/dbraw/zinc/57/67/47/945576747.db2.gz BRQYCGHWQHTQBP-PWSUYJOCSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CN1C(=O)CCn1ccnn1 ZINC001571267690 945576753 /nfs/dbraw/zinc/57/67/53/945576753.db2.gz BRQYCGHWQHTQBP-PWSUYJOCSA-N -1 3 386.395 0.484 20 0 GCADHM CCc1noc(C)c1CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571267770 945578784 /nfs/dbraw/zinc/57/87/84/945578784.db2.gz DMQMRYOKARZPGA-HUUCEWRRSA-N -1 3 386.416 0.029 20 0 GCADHM CCc1noc(C)c1CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571267770 945578794 /nfs/dbraw/zinc/57/87/94/945578794.db2.gz DMQMRYOKARZPGA-HUUCEWRRSA-N -1 3 386.416 0.029 20 0 GCADHM CCn1cc(C(=O)NC[C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2F)nn1 ZINC001571267905 945581953 /nfs/dbraw/zinc/58/19/53/945581953.db2.gz IIGWGQWXNZPPFT-LLVKDONJSA-N -1 3 386.395 0.411 20 0 GCADHM CCn1cc(C(=O)NC[C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2F)nn1 ZINC001571267905 945581959 /nfs/dbraw/zinc/58/19/59/945581959.db2.gz IIGWGQWXNZPPFT-LLVKDONJSA-N -1 3 386.395 0.411 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1F)c1ncc[nH]1 ZINC001571267939 945583551 /nfs/dbraw/zinc/58/35/51/945583551.db2.gz JKDMFEYMGJLHJG-CYBMUJFWSA-N -1 3 386.391 0.360 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1F)c1ncc[nH]1 ZINC001571267939 945583558 /nfs/dbraw/zinc/58/35/58/945583558.db2.gz JKDMFEYMGJLHJG-CYBMUJFWSA-N -1 3 386.391 0.360 20 0 GCADHM CC[C@H](NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)C(=O)N1CCOCC1 ZINC000820919724 945586124 /nfs/dbraw/zinc/58/61/24/945586124.db2.gz FZEQZROQQFVNAH-AWEZNQCLSA-N -1 3 391.407 0.442 20 0 GCADHM CC[C@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)C(=O)N1CCOCC1 ZINC000820919724 945586128 /nfs/dbraw/zinc/58/61/28/945586128.db2.gz FZEQZROQQFVNAH-AWEZNQCLSA-N -1 3 391.407 0.442 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571268272 945592224 /nfs/dbraw/zinc/59/22/24/945592224.db2.gz PXXRMNILTMEGPL-NSHDSACASA-N -1 3 386.395 0.318 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571268272 945592228 /nfs/dbraw/zinc/59/22/28/945592228.db2.gz PXXRMNILTMEGPL-NSHDSACASA-N -1 3 386.395 0.318 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001571268297 945592445 /nfs/dbraw/zinc/59/24/45/945592445.db2.gz QWQVLXPUYAICFH-OCCSQVGLSA-N -1 3 386.391 0.027 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001571268297 945592446 /nfs/dbraw/zinc/59/24/46/945592446.db2.gz QWQVLXPUYAICFH-OCCSQVGLSA-N -1 3 386.391 0.027 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cncc(F)c2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571268448 945596479 /nfs/dbraw/zinc/59/64/79/945596479.db2.gz SIACJOSSNDVOIO-DOMZBBRYSA-N -1 3 386.391 0.094 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cncc(F)c2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571268448 945596484 /nfs/dbraw/zinc/59/64/84/945596484.db2.gz SIACJOSSNDVOIO-DOMZBBRYSA-N -1 3 386.391 0.094 20 0 GCADHM Cc1ncoc1CN1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571269048 945612546 /nfs/dbraw/zinc/61/25/46/945612546.db2.gz NGRZGQNQVVMCAY-CYBMUJFWSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1nc(CN[C@H](C)[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)co1 ZINC001571269321 945616985 /nfs/dbraw/zinc/61/69/85/945616985.db2.gz VHQUFLFHKDITRN-BMIGLBTASA-N -1 3 386.416 0.511 20 0 GCADHM Cc1nc(CN[C@H](C)[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)co1 ZINC001571269321 945616992 /nfs/dbraw/zinc/61/69/92/945616992.db2.gz VHQUFLFHKDITRN-BMIGLBTASA-N -1 3 386.416 0.511 20 0 GCADHM Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccccc2)cc1-c1nnn[n-]1 ZINC001571269652 945623277 /nfs/dbraw/zinc/62/32/77/945623277.db2.gz BQGKXWRKBYGYBY-UHFFFAOYSA-N -1 3 386.437 0.770 20 0 GCADHM Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC001571269652 945623282 /nfs/dbraw/zinc/62/32/82/945623282.db2.gz BQGKXWRKBYGYBY-UHFFFAOYSA-N -1 3 386.437 0.770 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2nccs2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571269808 945624536 /nfs/dbraw/zinc/62/45/36/945624536.db2.gz CXQWKQQDYRTZAV-GXSJLCMTSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2nccs2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571269808 945624543 /nfs/dbraw/zinc/62/45/43/945624543.db2.gz CXQWKQQDYRTZAV-GXSJLCMTSA-N -1 3 386.441 0.980 20 0 GCADHM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cncn2)c1-c1nnn[n-]1 ZINC001571269859 945625484 /nfs/dbraw/zinc/62/54/84/945625484.db2.gz FJCRKBJKIALQOC-PHIMTYICSA-N -1 3 386.445 0.103 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1CNC(=O)c1csnn1 ZINC001571269980 945629084 /nfs/dbraw/zinc/62/90/84/945629084.db2.gz JJSLMVLIBLREMW-GFCCVEGCSA-N -1 3 386.441 0.731 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccsn1 ZINC001571270211 945630690 /nfs/dbraw/zinc/63/06/90/945630690.db2.gz NMOZIBMLSSIKDP-SNVBAGLBSA-N -1 3 386.441 0.934 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccsn1 ZINC001571270211 945630696 /nfs/dbraw/zinc/63/06/96/945630696.db2.gz NMOZIBMLSSIKDP-SNVBAGLBSA-N -1 3 386.441 0.934 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)ns1 ZINC001571270079 945631913 /nfs/dbraw/zinc/63/19/13/945631913.db2.gz MPGMLBUOYILRLY-WPRPVWTQSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)ns1 ZINC001571270079 945631920 /nfs/dbraw/zinc/63/19/20/945631920.db2.gz MPGMLBUOYILRLY-WPRPVWTQSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 ZINC001571270086 945631932 /nfs/dbraw/zinc/63/19/32/945631932.db2.gz MTTGNKQWLUYXRQ-UHFFFAOYSA-N -1 3 386.437 0.851 20 0 GCADHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 ZINC001571270086 945631935 /nfs/dbraw/zinc/63/19/35/945631935.db2.gz MTTGNKQWLUYXRQ-UHFFFAOYSA-N -1 3 386.437 0.851 20 0 GCADHM CCc1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)s1 ZINC001571270249 945633040 /nfs/dbraw/zinc/63/30/40/945633040.db2.gz OEXFXWPGTKJQTE-GHMZBOCLSA-N -1 3 386.441 0.260 20 0 GCADHM CCc1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)s1 ZINC001571270249 945633048 /nfs/dbraw/zinc/63/30/48/945633048.db2.gz OEXFXWPGTKJQTE-GHMZBOCLSA-N -1 3 386.441 0.260 20 0 GCADHM CCc1ncsc1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571270351 945634433 /nfs/dbraw/zinc/63/44/33/945634433.db2.gz QXNQVFPWDSCNMY-AOOOYVTPSA-N -1 3 386.441 0.905 20 0 GCADHM CCc1ncsc1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571270351 945634437 /nfs/dbraw/zinc/63/44/37/945634437.db2.gz QXNQVFPWDSCNMY-AOOOYVTPSA-N -1 3 386.441 0.905 20 0 GCADHM O=S(=O)(N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571270345 945635228 /nfs/dbraw/zinc/63/52/28/945635228.db2.gz QTMSSZFNSDRVON-KDYLLFBJSA-N -1 3 386.437 0.633 20 0 GCADHM O=S(=O)(N[C@H]1C[C@@](CO)(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571270345 945635232 /nfs/dbraw/zinc/63/52/32/945635232.db2.gz QTMSSZFNSDRVON-KDYLLFBJSA-N -1 3 386.437 0.633 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1nnc2c(cnn2C)c1=O ZINC000821104754 945635592 /nfs/dbraw/zinc/63/55/92/945635592.db2.gz PEMALQOUQWFQOC-UHFFFAOYSA-N -1 3 380.416 0.575 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1nnc2c(cnn2C)c1=O ZINC000821104754 945635597 /nfs/dbraw/zinc/63/55/97/945635597.db2.gz PEMALQOUQWFQOC-UHFFFAOYSA-N -1 3 380.416 0.575 20 0 GCADHM Cc1ncc(C(=O)N[C@@H](C)C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)s1 ZINC001571270312 945635574 /nfs/dbraw/zinc/63/55/74/945635574.db2.gz PYBCXAJQIKFOCN-QMMMGPOBSA-N -1 3 386.441 0.850 20 0 GCADHM Cc1ncc(C(=O)N[C@@H](C)C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)s1 ZINC001571270312 945635578 /nfs/dbraw/zinc/63/55/78/945635578.db2.gz PYBCXAJQIKFOCN-QMMMGPOBSA-N -1 3 386.441 0.850 20 0 GCADHM Cn1nc(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)ccc1=O ZINC001571270544 945636913 /nfs/dbraw/zinc/63/69/13/945636913.db2.gz UQTLMWSHEBFVSN-JTQLQIEISA-N -1 3 386.441 0.026 20 0 GCADHM Cn1nc(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)ccc1=O ZINC001571270544 945636918 /nfs/dbraw/zinc/63/69/18/945636918.db2.gz UQTLMWSHEBFVSN-JTQLQIEISA-N -1 3 386.441 0.026 20 0 GCADHM Cc1ncsc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571270554 945637344 /nfs/dbraw/zinc/63/73/44/945637344.db2.gz UWCBPIRPGYYCOQ-PRHODGIISA-N -1 3 386.441 0.850 20 0 GCADHM Cc1ncsc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571270554 945637350 /nfs/dbraw/zinc/63/73/50/945637350.db2.gz UWCBPIRPGYYCOQ-PRHODGIISA-N -1 3 386.441 0.850 20 0 GCADHM COCc1ncsc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571270541 945637412 /nfs/dbraw/zinc/63/74/12/945637412.db2.gz UPLGAOQFQRMGNR-SNVBAGLBSA-N -1 3 386.441 0.873 20 0 GCADHM COCc1ncsc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571270541 945637418 /nfs/dbraw/zinc/63/74/18/945637418.db2.gz UPLGAOQFQRMGNR-SNVBAGLBSA-N -1 3 386.441 0.873 20 0 GCADHM Cc1nsc(N2CC[C@@H](NC(=O)c3cccnc3)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571270437 945637531 /nfs/dbraw/zinc/63/75/31/945637531.db2.gz TYYNEZBTVRRGLA-NEPJUHHUSA-N -1 3 386.441 0.396 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)sc1C ZINC001571270563 945639404 /nfs/dbraw/zinc/63/94/04/945639404.db2.gz VESRYOUMDLLDCF-LLVKDONJSA-N -1 3 386.441 0.913 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)sc1C ZINC001571270563 945639410 /nfs/dbraw/zinc/63/94/10/945639410.db2.gz VESRYOUMDLLDCF-LLVKDONJSA-N -1 3 386.441 0.913 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)ns1 ZINC001571270646 945640526 /nfs/dbraw/zinc/64/05/26/945640526.db2.gz XORGOXNYEQOMJW-KOLCDFICSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)ns1 ZINC001571270646 945640531 /nfs/dbraw/zinc/64/05/31/945640531.db2.gz XORGOXNYEQOMJW-KOLCDFICSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3cncs3)[C@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571270653 945640806 /nfs/dbraw/zinc/64/08/06/945640806.db2.gz XTTVPSWFTVIKPT-VXGBXAGGSA-N -1 3 386.441 0.396 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3cncs3)[C@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571270653 945640812 /nfs/dbraw/zinc/64/08/12/945640812.db2.gz XTTVPSWFTVIKPT-VXGBXAGGSA-N -1 3 386.441 0.396 20 0 GCADHM CCN1C[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CC1=O ZINC000821240773 945659271 /nfs/dbraw/zinc/65/92/71/945659271.db2.gz ITZYLBGCIZLYDM-LBPRGKRZSA-N -1 3 399.455 0.635 20 0 GCADHM CCN1C[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CC1=O ZINC000821240773 945659273 /nfs/dbraw/zinc/65/92/73/945659273.db2.gz ITZYLBGCIZLYDM-LBPRGKRZSA-N -1 3 399.455 0.635 20 0 GCADHM CCOC(=O)C1(O)CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000821319321 945668458 /nfs/dbraw/zinc/66/84/58/945668458.db2.gz CYUOABZEXLIQFK-UHFFFAOYSA-N -1 3 392.416 0.405 20 0 GCADHM CCOC(=O)[C@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCO1 ZINC000821324969 945669840 /nfs/dbraw/zinc/66/98/40/945669840.db2.gz AFQBYDRPGSHBEJ-CYBMUJFWSA-N -1 3 385.384 0.681 20 0 GCADHM CCOC(=O)[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCO1 ZINC000821324969 945669851 /nfs/dbraw/zinc/66/98/51/945669851.db2.gz AFQBYDRPGSHBEJ-CYBMUJFWSA-N -1 3 385.384 0.681 20 0 GCADHM CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821325586 945670083 /nfs/dbraw/zinc/67/00/83/945670083.db2.gz HAHSMXKPHWATDQ-JTQLQIEISA-N -1 3 390.400 0.542 20 0 GCADHM CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000821325586 945670092 /nfs/dbraw/zinc/67/00/92/945670092.db2.gz HAHSMXKPHWATDQ-JTQLQIEISA-N -1 3 390.400 0.542 20 0 GCADHM CCOC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821325580 945670429 /nfs/dbraw/zinc/67/04/29/945670429.db2.gz GWBXKUPOVWABNE-UHFFFAOYSA-N -1 3 376.373 0.153 20 0 GCADHM CCOC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000821325580 945670434 /nfs/dbraw/zinc/67/04/34/945670434.db2.gz GWBXKUPOVWABNE-UHFFFAOYSA-N -1 3 376.373 0.153 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821325979 945670658 /nfs/dbraw/zinc/67/06/58/945670658.db2.gz QNWYSYJOOQESSE-CQSZACIVSA-N -1 3 393.469 0.916 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821325979 945670660 /nfs/dbraw/zinc/67/06/60/945670660.db2.gz QNWYSYJOOQESSE-CQSZACIVSA-N -1 3 393.469 0.916 20 0 GCADHM CN1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571273213 945682365 /nfs/dbraw/zinc/68/23/65/945682365.db2.gz SSPGYJCHZKKXCJ-UKRRQHHQSA-N -1 3 386.460 0.243 20 0 GCADHM CN1CCO[C@@H](C(=O)N2CCC[C@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571273213 945682376 /nfs/dbraw/zinc/68/23/76/945682376.db2.gz SSPGYJCHZKKXCJ-UKRRQHHQSA-N -1 3 386.460 0.243 20 0 GCADHM CO[C@@H](C)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001571273289 945683795 /nfs/dbraw/zinc/68/37/95/945683795.db2.gz USSWDZKSLCIAPI-DZGCQCFKSA-N -1 3 386.460 0.020 20 0 GCADHM CO[C@@H](C)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001571273289 945683803 /nfs/dbraw/zinc/68/38/03/945683803.db2.gz USSWDZKSLCIAPI-DZGCQCFKSA-N -1 3 386.460 0.020 20 0 GCADHM CCOCCN1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821378983 945686231 /nfs/dbraw/zinc/68/62/31/945686231.db2.gz ZBGJMUCJOUBTBX-UHFFFAOYSA-N -1 3 377.424 0.870 20 0 GCADHM O=C(CN1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)N1CCCCCC1 ZINC001571273543 945691075 /nfs/dbraw/zinc/69/10/75/945691075.db2.gz ZONIPWHXRDTBKI-AWEZNQCLSA-N -1 3 386.460 0.402 20 0 GCADHM O=C(CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)N1CCCCCC1 ZINC001571273543 945691079 /nfs/dbraw/zinc/69/10/79/945691079.db2.gz ZONIPWHXRDTBKI-AWEZNQCLSA-N -1 3 386.460 0.402 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1Cl)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001571274106 945692442 /nfs/dbraw/zinc/69/24/42/945692442.db2.gz BDHIWGOIACZCTJ-UWVGGRQHSA-N -1 3 386.840 0.937 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1Cl)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001571274106 945692450 /nfs/dbraw/zinc/69/24/50/945692450.db2.gz BDHIWGOIACZCTJ-UWVGGRQHSA-N -1 3 386.840 0.937 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1NC(=O)c1ccon1 ZINC001571274082 945692972 /nfs/dbraw/zinc/69/29/72/945692972.db2.gz AQGWVFZUYNPNFC-HUUCEWRRSA-N -1 3 387.375 0.623 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1NC(=O)c1ccon1 ZINC001571274082 945692978 /nfs/dbraw/zinc/69/29/78/945692978.db2.gz AQGWVFZUYNPNFC-HUUCEWRRSA-N -1 3 387.375 0.623 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cnon2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571274666 945698481 /nfs/dbraw/zinc/69/84/81/945698481.db2.gz JSKBQKUYJDJLEM-JTQLQIEISA-N -1 3 387.379 0.772 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cnon2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571274666 945698492 /nfs/dbraw/zinc/69/84/92/945698492.db2.gz JSKBQKUYJDJLEM-JTQLQIEISA-N -1 3 387.379 0.772 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC(O)(CNc2cnc(F)cn2)CC1 ZINC001571274772 945699098 /nfs/dbraw/zinc/69/90/98/945699098.db2.gz KRRFBVTXGOUJPA-UHFFFAOYSA-N -1 3 387.379 0.203 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC(O)(CNc2cnc(F)cn2)CC1 ZINC001571274772 945699101 /nfs/dbraw/zinc/69/91/01/945699101.db2.gz KRRFBVTXGOUJPA-UHFFFAOYSA-N -1 3 387.379 0.203 20 0 GCADHM COC(=O)c1nc(C(=O)Nc2ncc3c(c2-c2nnn[n-]2)COCC3)cs1 ZINC001571274887 945701283 /nfs/dbraw/zinc/70/12/83/945701283.db2.gz MFCKXOGSJAXSMD-UHFFFAOYSA-N -1 3 387.381 0.830 20 0 GCADHM COC(=O)c1nc(C(=O)Nc2ncc3c(c2-c2nn[n-]n2)COCC3)cs1 ZINC001571274887 945701285 /nfs/dbraw/zinc/70/12/85/945701285.db2.gz MFCKXOGSJAXSMD-UHFFFAOYSA-N -1 3 387.381 0.830 20 0 GCADHM COCc1nnc2n1CCN(C(=O)NCc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC001571275119 945702981 /nfs/dbraw/zinc/70/29/81/945702981.db2.gz PUEFSPOAUBOSAO-UHFFFAOYSA-N -1 3 387.379 0.469 20 0 GCADHM COCc1nnc2n1CCN(C(=O)NCc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC001571275119 945702983 /nfs/dbraw/zinc/70/29/83/945702983.db2.gz PUEFSPOAUBOSAO-UHFFFAOYSA-N -1 3 387.379 0.469 20 0 GCADHM O=C(NC[C@@H]1CN(c2cnc(F)cn2)CCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571275428 945707073 /nfs/dbraw/zinc/70/70/73/945707073.db2.gz UAJFHWTTZZUIAC-SNVBAGLBSA-N -1 3 387.379 0.149 20 0 GCADHM O=C(NC[C@@H]1CN(c2cnc(F)cn2)CCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571275428 945707076 /nfs/dbraw/zinc/70/70/76/945707076.db2.gz UAJFHWTTZZUIAC-SNVBAGLBSA-N -1 3 387.379 0.149 20 0 GCADHM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)C1CCN(CCC(F)(F)F)CC1 ZINC001571275446 945707689 /nfs/dbraw/zinc/70/76/89/945707689.db2.gz ULHILMWCOFLVHN-UHFFFAOYSA-N -1 3 387.370 0.333 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001571275542 945709513 /nfs/dbraw/zinc/70/95/13/945709513.db2.gz WGMZOHKGKGZMCJ-OIBJUYFYSA-N -1 3 387.379 0.853 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001571275542 945709520 /nfs/dbraw/zinc/70/95/20/945709520.db2.gz WGMZOHKGKGZMCJ-OIBJUYFYSA-N -1 3 387.379 0.853 20 0 GCADHM COc1ncc(NC(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)cc1-c1nnn[n-]1 ZINC001571275646 945712486 /nfs/dbraw/zinc/71/24/86/945712486.db2.gz ZXICNVYGFZHKLZ-WDEREUQCSA-N -1 3 387.360 0.613 20 0 GCADHM CC(C)N1CC[C@H](N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1=O ZINC001571275742 945713988 /nfs/dbraw/zinc/71/39/88/945713988.db2.gz BRXCHNJRSCJPGM-HNNXBMFYSA-N -1 3 386.460 0.352 20 0 GCADHM CC(C)N1CC[C@H](N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1=O ZINC001571275742 945713997 /nfs/dbraw/zinc/71/39/97/945713997.db2.gz BRXCHNJRSCJPGM-HNNXBMFYSA-N -1 3 386.460 0.352 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571275830 945716280 /nfs/dbraw/zinc/71/62/80/945716280.db2.gz DCDZBTLOPZWAIE-CQSZACIVSA-N -1 3 386.460 0.257 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571275830 945716285 /nfs/dbraw/zinc/71/62/85/945716285.db2.gz DCDZBTLOPZWAIE-CQSZACIVSA-N -1 3 386.460 0.257 20 0 GCADHM CN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821569739 945718667 /nfs/dbraw/zinc/71/86/67/945718667.db2.gz UFABJINBBSJSTG-UHFFFAOYSA-N -1 3 392.485 0.682 20 0 GCADHM CN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821569739 945718673 /nfs/dbraw/zinc/71/86/73/945718673.db2.gz UFABJINBBSJSTG-UHFFFAOYSA-N -1 3 392.485 0.682 20 0 GCADHM COc1ccc(CN2C[C@@H](NC(=O)CC3CCC3)[C@@H](O)C2)cc1-c1nnn[n-]1 ZINC001571275869 945718659 /nfs/dbraw/zinc/71/86/59/945718659.db2.gz DNXJGAWXCYNLID-CVEARBPZSA-N -1 3 386.456 0.727 20 0 GCADHM COc1ccc(CN2C[C@@H](NC(=O)CC3CCC3)[C@@H](O)C2)cc1-c1nn[n-]n1 ZINC001571275869 945718665 /nfs/dbraw/zinc/71/86/65/945718665.db2.gz DNXJGAWXCYNLID-CVEARBPZSA-N -1 3 386.456 0.727 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571276074 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ZINC001571281845 945815941 /nfs/dbraw/zinc/81/59/41/945815941.db2.gz AWABPWSECRIJTD-SCLBCKFNSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001571281870 945816016 /nfs/dbraw/zinc/81/60/16/945816016.db2.gz BGVJSKUDNXYAKJ-JHJVBQTASA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)[C@@H]1CCCOC1 ZINC001571281870 945816027 /nfs/dbraw/zinc/81/60/27/945816027.db2.gz BGVJSKUDNXYAKJ-JHJVBQTASA-N -1 3 387.444 0.446 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573449359 945819968 /nfs/dbraw/zinc/81/99/68/945819968.db2.gz ZNRQEUJXKJMJSK-BPLDGKMQSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573449359 945819987 /nfs/dbraw/zinc/81/99/87/945819987.db2.gz ZNRQEUJXKJMJSK-BPLDGKMQSA-N -1 3 384.444 0.579 20 0 GCADHM COCCOCCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821692190 945823026 /nfs/dbraw/zinc/82/30/26/945823026.db2.gz QEGIXHMDOYHBRN-UHFFFAOYSA-N -1 3 390.444 0.819 20 0 GCADHM COCCOCCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821692190 945823036 /nfs/dbraw/zinc/82/30/36/945823036.db2.gz QEGIXHMDOYHBRN-UHFFFAOYSA-N -1 3 390.444 0.819 20 0 GCADHM O=C(C[C@H]1CCCOC1)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571281958 945824969 /nfs/dbraw/zinc/82/49/69/945824969.db2.gz CEFKBHUEQHNKNY-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@H]1CCCOC1)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571281958 945824982 /nfs/dbraw/zinc/82/49/82/945824982.db2.gz CEFKBHUEQHNKNY-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)[C@H](C)C1 ZINC001573451451 945838631 /nfs/dbraw/zinc/83/86/31/945838631.db2.gz WUQHYHVREIEXOI-SECBINFHSA-N -1 3 384.849 0.761 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)[C@H](C)C1 ZINC001573451451 945838650 /nfs/dbraw/zinc/83/86/50/945838650.db2.gz WUQHYHVREIEXOI-SECBINFHSA-N -1 3 384.849 0.761 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(c2cnn(C)c2)CC1 ZINC000821702472 945840070 /nfs/dbraw/zinc/84/00/70/945840070.db2.gz UXBSPRMATWJQLN-UHFFFAOYSA-N -1 3 384.444 0.810 20 0 GCADHM Cc1ccn(C)c1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001571282429 945843729 /nfs/dbraw/zinc/84/37/29/945843729.db2.gz YELFFBAQLZOBJZ-OLZOCXBDSA-N -1 3 387.469 0.550 20 0 GCADHM Cc1ccn(C)c1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001571282429 945843742 /nfs/dbraw/zinc/84/37/42/945843742.db2.gz YELFFBAQLZOBJZ-OLZOCXBDSA-N -1 3 387.469 0.550 20 0 GCADHM O=C(NC[C@@H]1CCCCN1C(=O)[C@H]1CCCCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282494 945845548 /nfs/dbraw/zinc/84/55/48/945845548.db2.gz IUICATZGNOUHJR-DZGCQCFKSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(NC[C@@H]1CCCCN1C(=O)[C@H]1CCCCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282494 945845558 /nfs/dbraw/zinc/84/55/58/945845558.db2.gz IUICATZGNOUHJR-DZGCQCFKSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(NC1CCN(C(=O)[C@H]2CCCOCC2)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282549 945850087 /nfs/dbraw/zinc/85/00/87/945850087.db2.gz KBFOQNCTAUZTOT-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(NC1CCN(C(=O)[C@H]2CCCOCC2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282549 945850098 /nfs/dbraw/zinc/85/00/98/945850098.db2.gz KBFOQNCTAUZTOT-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C(C)C ZINC001573452399 945850271 /nfs/dbraw/zinc/85/02/71/945850271.db2.gz DSOSCTDYDWHBQB-SFHVURJKSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C(C)C ZINC001573452399 945850283 /nfs/dbraw/zinc/85/02/83/945850283.db2.gz DSOSCTDYDWHBQB-SFHVURJKSA-N -1 3 386.460 0.461 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001571282526 945851101 /nfs/dbraw/zinc/85/11/01/945851101.db2.gz JMJSWPFDSLUVJG-UKRRQHHQSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001571282526 945851118 /nfs/dbraw/zinc/85/11/18/945851118.db2.gz JMJSWPFDSLUVJG-UKRRQHHQSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573453179 945854891 /nfs/dbraw/zinc/85/48/91/945854891.db2.gz JDQWXMOEIHOPIX-NHYWBVRUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573453179 945854902 /nfs/dbraw/zinc/85/49/02/945854902.db2.gz JDQWXMOEIHOPIX-NHYWBVRUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573452881 945855419 /nfs/dbraw/zinc/85/54/19/945855419.db2.gz IPTCGHPTTRIKRI-LJQANCHMSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573452881 945855436 /nfs/dbraw/zinc/85/54/36/945855436.db2.gz IPTCGHPTTRIKRI-LJQANCHMSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573452899 945856431 /nfs/dbraw/zinc/85/64/31/945856431.db2.gz IUHRPCXWXWTIGL-RDTXWAMCSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573452899 945856442 /nfs/dbraw/zinc/85/64/42/945856442.db2.gz IUHRPCXWXWTIGL-RDTXWAMCSA-N -1 3 386.460 0.825 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C1CCCCC1 ZINC001571282822 945861413 /nfs/dbraw/zinc/86/14/13/945861413.db2.gz RYWZNRHPWRHDKY-DOMZBBRYSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C1CCCCC1 ZINC001571282822 945861423 /nfs/dbraw/zinc/86/14/23/945861423.db2.gz RYWZNRHPWRHDKY-DOMZBBRYSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571282816 945863591 /nfs/dbraw/zinc/86/35/91/945863591.db2.gz RVJYPGLXKDENCL-UONOGXRCSA-N -1 3 387.444 0.860 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571282816 945863599 /nfs/dbraw/zinc/86/35/99/945863599.db2.gz RVJYPGLXKDENCL-UONOGXRCSA-N -1 3 387.444 0.860 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001573453764 945865916 /nfs/dbraw/zinc/86/59/16/945865916.db2.gz PNPPQAXGCMJMFC-BZNIZROVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573453764 945865928 /nfs/dbraw/zinc/86/59/28/945865928.db2.gz PNPPQAXGCMJMFC-BZNIZROVSA-N -1 3 386.460 0.873 20 0 GCADHM O=C(CC1CCOCC1)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571282884 945866530 /nfs/dbraw/zinc/86/65/30/945866530.db2.gz UJOPIDSSGHIIDZ-CQSZACIVSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(CC1CCOCC1)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571282884 945866545 /nfs/dbraw/zinc/86/65/45/945866545.db2.gz UJOPIDSSGHIIDZ-CQSZACIVSA-N -1 3 387.444 0.732 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573454035 945871879 /nfs/dbraw/zinc/87/18/79/945871879.db2.gz UXYVBKYMYBSBOO-KPZWWZAWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573454035 945871899 /nfs/dbraw/zinc/87/18/99/945871899.db2.gz UXYVBKYMYBSBOO-KPZWWZAWSA-N -1 3 388.476 0.753 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCOC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571283004 945872422 /nfs/dbraw/zinc/87/24/22/945872422.db2.gz XVJPTZDTSTXHBE-JHJVBQTASA-N -1 3 387.444 0.779 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCOC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571283004 945872435 /nfs/dbraw/zinc/87/24/35/945872435.db2.gz XVJPTZDTSTXHBE-JHJVBQTASA-N -1 3 387.444 0.779 20 0 GCADHM O=C([C@@H]1CCCOC1)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571283059 945873234 /nfs/dbraw/zinc/87/32/34/945873234.db2.gz YPDNFVGXELPJCW-FZKQIMNGSA-N -1 3 387.444 0.454 20 0 GCADHM O=C([C@@H]1CCCOC1)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571283059 945873245 /nfs/dbraw/zinc/87/32/45/945873245.db2.gz YPDNFVGXELPJCW-FZKQIMNGSA-N -1 3 387.444 0.454 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573455254 945879818 /nfs/dbraw/zinc/87/98/18/945879818.db2.gz APTDCXAHOPETIM-GOSISDBHSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573455254 945879837 /nfs/dbraw/zinc/87/98/37/945879837.db2.gz APTDCXAHOPETIM-GOSISDBHSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573455561 945880835 /nfs/dbraw/zinc/88/08/35/945880835.db2.gz DZNQWXLWGWZIPO-UHFFFAOYSA-N -1 3 391.451 0.811 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573455561 945880859 /nfs/dbraw/zinc/88/08/59/945880859.db2.gz DZNQWXLWGWZIPO-UHFFFAOYSA-N -1 3 391.451 0.811 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573455853 945888674 /nfs/dbraw/zinc/88/86/74/945888674.db2.gz HJWSHYHWNMIGKP-RISCZKNCSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573455853 945888685 /nfs/dbraw/zinc/88/86/85/945888685.db2.gz HJWSHYHWNMIGKP-RISCZKNCSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573456598 945895348 /nfs/dbraw/zinc/89/53/48/945895348.db2.gz MSMQYCXJJAQPGR-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573456598 945895354 /nfs/dbraw/zinc/89/53/54/945895354.db2.gz MSMQYCXJJAQPGR-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001571284221 945897009 /nfs/dbraw/zinc/89/70/09/945897009.db2.gz NIXISOVAASYYCA-LLVKDONJSA-N -1 3 387.835 1.000 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001571284221 945897024 /nfs/dbraw/zinc/89/70/24/945897024.db2.gz NIXISOVAASYYCA-LLVKDONJSA-N -1 3 387.835 1.000 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573456914 945900611 /nfs/dbraw/zinc/90/06/11/945900611.db2.gz PYYJENCMGTZLEI-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573456914 945900619 /nfs/dbraw/zinc/90/06/19/945900619.db2.gz PYYJENCMGTZLEI-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM CN(C(=O)c1cc(Cl)n(C)n1)[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571284890 945907262 /nfs/dbraw/zinc/90/72/62/945907262.db2.gz VZMMBXPMECUQPX-SNVBAGLBSA-N -1 3 387.835 1.000 20 0 GCADHM CN(C(=O)c1cc(Cl)n(C)n1)[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571284890 945907272 /nfs/dbraw/zinc/90/72/72/945907272.db2.gz VZMMBXPMECUQPX-SNVBAGLBSA-N -1 3 387.835 1.000 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573459022 945912265 /nfs/dbraw/zinc/91/22/65/945912265.db2.gz DAXPTLUMTWHXQJ-CYBMUJFWSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573459022 945912274 /nfs/dbraw/zinc/91/22/74/945912274.db2.gz DAXPTLUMTWHXQJ-CYBMUJFWSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)cc(C)n1 ZINC001573459592 945912903 /nfs/dbraw/zinc/91/29/03/945912903.db2.gz GRPYDKBNGGEPJC-UHFFFAOYSA-N -1 3 388.432 0.318 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)cc(C)n1 ZINC001573459592 945912910 /nfs/dbraw/zinc/91/29/10/945912910.db2.gz GRPYDKBNGGEPJC-UHFFFAOYSA-N -1 3 388.432 0.318 20 0 GCADHM O=S(=O)(NC[C@@H](CO)[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571285321 945913087 /nfs/dbraw/zinc/91/30/87/945913087.db2.gz BAKWFHPPTWYFPC-UWVGGRQHSA-N -1 3 387.849 0.443 20 0 GCADHM O=S(=O)(NC[C@@H](CO)[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571285321 945913096 /nfs/dbraw/zinc/91/30/96/945913096.db2.gz BAKWFHPPTWYFPC-UWVGGRQHSA-N -1 3 387.849 0.443 20 0 GCADHM CN1C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CC1=O ZINC001571285319 945913254 /nfs/dbraw/zinc/91/32/54/945913254.db2.gz BAFOUFITHHNOMF-YUSALJHKSA-N -1 3 388.407 0.186 20 0 GCADHM CN1C[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CC1=O ZINC001571285319 945913263 /nfs/dbraw/zinc/91/32/63/945913263.db2.gz BAFOUFITHHNOMF-YUSALJHKSA-N -1 3 388.407 0.186 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)no1 ZINC001571285412 945916227 /nfs/dbraw/zinc/91/62/27/945916227.db2.gz CXXOKOZGYSPFLS-LLVKDONJSA-N -1 3 388.363 0.332 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)no1 ZINC001571285412 945916232 /nfs/dbraw/zinc/91/62/32/945916232.db2.gz CXXOKOZGYSPFLS-LLVKDONJSA-N -1 3 388.363 0.332 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573460710 945916737 /nfs/dbraw/zinc/91/67/37/945916737.db2.gz LTIFTIYYGLNGRL-ZJUUUORDSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573460710 945916747 /nfs/dbraw/zinc/91/67/47/945916747.db2.gz LTIFTIYYGLNGRL-ZJUUUORDSA-N -1 3 390.448 0.123 20 0 GCADHM O=C(CN(CCC(F)(F)F)C[C@H](O)CO)Nc1cccc(-c2nnn[n-]2)c1 ZINC001571285450 945918152 /nfs/dbraw/zinc/91/81/52/945918152.db2.gz DVHWZUWPIOHAKF-LBPRGKRZSA-N -1 3 388.350 0.413 20 0 GCADHM O=C(CN(CCC(F)(F)F)C[C@H](O)CO)Nc1cccc(-c2nn[n-]n2)c1 ZINC001571285450 945918159 /nfs/dbraw/zinc/91/81/59/945918159.db2.gz DVHWZUWPIOHAKF-LBPRGKRZSA-N -1 3 388.350 0.413 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573460222 945918478 /nfs/dbraw/zinc/91/84/78/945918478.db2.gz KEWFEIJCIYSKEC-SECBINFHSA-N -1 3 378.412 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573460222 945918490 /nfs/dbraw/zinc/91/84/90/945918490.db2.gz KEWFEIJCIYSKEC-SECBINFHSA-N -1 3 378.412 0.622 20 0 GCADHM CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571285507 945918788 /nfs/dbraw/zinc/91/87/88/945918788.db2.gz HBLBKUAHAPARJN-SRHKJQAYSA-N -1 3 388.407 0.431 20 0 GCADHM CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571285507 945918794 /nfs/dbraw/zinc/91/87/94/945918794.db2.gz HBLBKUAHAPARJN-SRHKJQAYSA-N -1 3 388.407 0.431 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573460701 945918746 /nfs/dbraw/zinc/91/87/46/945918746.db2.gz LTIFTIYYGLNGRL-VHSXEESVSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573460701 945918755 /nfs/dbraw/zinc/91/87/55/945918755.db2.gz LTIFTIYYGLNGRL-VHSXEESVSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573460876 945920233 /nfs/dbraw/zinc/92/02/33/945920233.db2.gz MUCOEZWBBXUROQ-UWVGGRQHSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573460876 945920244 /nfs/dbraw/zinc/92/02/44/945920244.db2.gz MUCOEZWBBXUROQ-UWVGGRQHSA-N -1 3 390.448 0.123 20 0 GCADHM O=C(C1=COCCO1)N1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001571285572 945920409 /nfs/dbraw/zinc/92/04/09/945920409.db2.gz IURWIICCVLPBPI-UHFFFAOYSA-N -1 3 388.403 0.928 20 0 GCADHM O=C(C1=COCCO1)N1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001571285572 945920414 /nfs/dbraw/zinc/92/04/14/945920414.db2.gz IURWIICCVLPBPI-UHFFFAOYSA-N -1 3 388.403 0.928 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1C[C@H](CO)[C@H](O)C1 ZINC001571285590 945920578 /nfs/dbraw/zinc/92/05/78/945920578.db2.gz JJYXSQIHHZIKEM-BXKDBHETSA-N -1 3 388.363 0.008 20 0 GCADHM Cc1ncoc1C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001571285636 945922604 /nfs/dbraw/zinc/92/26/04/945922604.db2.gz KGYYQUOKZISFMG-NSHDSACASA-N -1 3 388.363 0.332 20 0 GCADHM Cc1ncoc1C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001571285636 945922611 /nfs/dbraw/zinc/92/26/11/945922611.db2.gz KGYYQUOKZISFMG-NSHDSACASA-N -1 3 388.363 0.332 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571285644 945923033 /nfs/dbraw/zinc/92/30/33/945923033.db2.gz KOIMCFHXBAWDIT-CYBMUJFWSA-N -1 3 388.407 0.060 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571285644 945923036 /nfs/dbraw/zinc/92/30/36/945923036.db2.gz KOIMCFHXBAWDIT-CYBMUJFWSA-N -1 3 388.407 0.060 20 0 GCADHM O=C(N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)C1=CCOCC1 ZINC001571285615 945923191 /nfs/dbraw/zinc/92/31/91/945923191.db2.gz JZWPFXGLQJAAPA-DZGCQCFKSA-N -1 3 388.403 0.408 20 0 GCADHM O=C(N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)C1=CCOCC1 ZINC001571285615 945923201 /nfs/dbraw/zinc/92/32/01/945923201.db2.gz JZWPFXGLQJAAPA-DZGCQCFKSA-N -1 3 388.403 0.408 20 0 GCADHM O=C([C@H]1COCCO1)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC001571285802 945928770 /nfs/dbraw/zinc/92/87/70/945928770.db2.gz OLESCNNOCVERLF-OFQRWUPVSA-N -1 3 388.403 0.206 20 0 GCADHM O=C([C@H]1COCCO1)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001571285802 945928777 /nfs/dbraw/zinc/92/87/77/945928777.db2.gz OLESCNNOCVERLF-OFQRWUPVSA-N -1 3 388.403 0.206 20 0 GCADHM Cc1ocnc1C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001571285977 945933431 /nfs/dbraw/zinc/93/34/31/945933431.db2.gz TXZHGQFKFSHNPR-RYUDHWBXSA-N -1 3 388.363 0.067 20 0 GCADHM Cc1ocnc1C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001571285977 945933441 /nfs/dbraw/zinc/93/34/41/945933441.db2.gz TXZHGQFKFSHNPR-RYUDHWBXSA-N -1 3 388.363 0.067 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573462290 945936494 /nfs/dbraw/zinc/93/64/94/945936494.db2.gz FQPDSIWGOPCLTC-LLVKDONJSA-N -1 3 392.489 0.631 20 0 GCADHM O=C([C@H]1COCCO1)N1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nnn[n-]1 ZINC001571286085 945936935 /nfs/dbraw/zinc/93/69/35/945936935.db2.gz XFVMWTLYVWENEI-TYNCELHUSA-N -1 3 388.403 0.601 20 0 GCADHM O=C([C@H]1COCCO1)N1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nn[n-]n1 ZINC001571286085 945936943 /nfs/dbraw/zinc/93/69/43/945936943.db2.gz XFVMWTLYVWENEI-TYNCELHUSA-N -1 3 388.403 0.601 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3cc(Cl)n(C)n3)C2)ccc1-c1nnn[n-]1 ZINC001571286110 945937828 /nfs/dbraw/zinc/93/78/28/945937828.db2.gz YCKGVVNHGCNXFS-SNVBAGLBSA-N -1 3 387.835 0.966 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3cc(Cl)n(C)n3)C2)ccc1-c1nn[n-]n1 ZINC001571286110 945937837 /nfs/dbraw/zinc/93/78/37/945937837.db2.gz YCKGVVNHGCNXFS-SNVBAGLBSA-N -1 3 387.835 0.966 20 0 GCADHM CCOC(=O)[C@@]1(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCCOC1 ZINC001571286386 945945880 /nfs/dbraw/zinc/94/58/80/945945880.db2.gz GMKQBTKLPBSFFL-GOSISDBHSA-N -1 3 388.428 0.755 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573462941 945946541 /nfs/dbraw/zinc/94/65/41/945946541.db2.gz PFAZLTRMDASEGW-STQMWFEESA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573462941 945946553 /nfs/dbraw/zinc/94/65/53/945946553.db2.gz PFAZLTRMDASEGW-STQMWFEESA-N -1 3 386.460 0.873 20 0 GCADHM COc1ncc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1-c1nnn[n-]1 ZINC001571286423 945947080 /nfs/dbraw/zinc/94/70/80/945947080.db2.gz HJMJGOWECZNARU-UONOGXRCSA-N -1 3 388.432 0.333 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ncnn2CCF)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571286448 945948628 /nfs/dbraw/zinc/94/86/28/945948628.db2.gz IEDQYKHWIWTSQW-LLVKDONJSA-N -1 3 388.411 0.150 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ncnn2CCF)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571286448 945948636 /nfs/dbraw/zinc/94/86/36/945948636.db2.gz IEDQYKHWIWTSQW-LLVKDONJSA-N -1 3 388.411 0.150 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571286489 945949833 /nfs/dbraw/zinc/94/98/33/945949833.db2.gz JGYANOWRVSRAEE-UHFFFAOYSA-N -1 3 388.413 0.048 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571286489 945949843 /nfs/dbraw/zinc/94/98/43/945949843.db2.gz JGYANOWRVSRAEE-UHFFFAOYSA-N -1 3 388.413 0.048 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573463200 945951299 /nfs/dbraw/zinc/95/12/99/945951299.db2.gz SUYFQLASKOWWPU-LLVKDONJSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573463200 945951307 /nfs/dbraw/zinc/95/13/07/945951307.db2.gz SUYFQLASKOWWPU-LLVKDONJSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573463155 945951458 /nfs/dbraw/zinc/95/14/58/945951458.db2.gz RPRCQJYPQCEMQA-ZDUSSCGKSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573463155 945951465 /nfs/dbraw/zinc/95/14/65/945951465.db2.gz RPRCQJYPQCEMQA-ZDUSSCGKSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573463187 945952072 /nfs/dbraw/zinc/95/20/72/945952072.db2.gz SLJJKKYGLKENAT-LBPRGKRZSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573463187 945952073 /nfs/dbraw/zinc/95/20/73/945952073.db2.gz SLJJKKYGLKENAT-LBPRGKRZSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573463357 945953580 /nfs/dbraw/zinc/95/35/80/945953580.db2.gz VONCIKXXTBQKCG-NSHDSACASA-N -1 3 391.451 0.857 20 0 GCADHM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001571286710 945955454 /nfs/dbraw/zinc/95/54/54/945955454.db2.gz PPRXLKDRKJJQAM-AWEZNQCLSA-N -1 3 388.407 0.889 20 0 GCADHM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001571286710 945955459 /nfs/dbraw/zinc/95/54/59/945955459.db2.gz PPRXLKDRKJJQAM-AWEZNQCLSA-N -1 3 388.407 0.889 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCNC(=O)C1 ZINC001571286858 945960413 /nfs/dbraw/zinc/96/04/13/945960413.db2.gz UCBHBYDPDPCMFL-CMPLNLGQSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCNC(=O)C1 ZINC001571286858 945960422 /nfs/dbraw/zinc/96/04/22/945960422.db2.gz UCBHBYDPDPCMFL-CMPLNLGQSA-N -1 3 388.407 0.012 20 0 GCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571286812 945960526 /nfs/dbraw/zinc/96/05/26/945960526.db2.gz SBZZTADXLGZJLN-VXGBXAGGSA-N -1 3 388.407 0.315 20 0 GCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571286812 945960533 /nfs/dbraw/zinc/96/05/33/945960533.db2.gz SBZZTADXLGZJLN-VXGBXAGGSA-N -1 3 388.407 0.315 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573464279 945964278 /nfs/dbraw/zinc/96/42/78/945964278.db2.gz JFMQXLACYXDUGG-CYBMUJFWSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573464279 945964285 /nfs/dbraw/zinc/96/42/85/945964285.db2.gz JFMQXLACYXDUGG-CYBMUJFWSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573464281 945965514 /nfs/dbraw/zinc/96/55/14/945965514.db2.gz JFMQXLACYXDUGG-ZDUSSCGKSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573464281 945965520 /nfs/dbraw/zinc/96/55/20/945965520.db2.gz JFMQXLACYXDUGG-ZDUSSCGKSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573464543 945967270 /nfs/dbraw/zinc/96/72/70/945967270.db2.gz LYFCOBCVSWNXRY-MRVPVSSYSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573464543 945967280 /nfs/dbraw/zinc/96/72/80/945967280.db2.gz LYFCOBCVSWNXRY-MRVPVSSYSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573464805 945968067 /nfs/dbraw/zinc/96/80/67/945968067.db2.gz PGRWWLAVQHTDRA-KLPPZKSPSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573464805 945968069 /nfs/dbraw/zinc/96/80/69/945968069.db2.gz PGRWWLAVQHTDRA-KLPPZKSPSA-N -1 3 390.423 0.622 20 0 GCADHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001571287060 945968900 /nfs/dbraw/zinc/96/89/00/945968900.db2.gz ZMDKGXITQZOIDV-WCVJEAGWSA-N -1 3 388.428 0.345 20 0 GCADHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001571287060 945968911 /nfs/dbraw/zinc/96/89/11/945968911.db2.gz ZMDKGXITQZOIDV-WCVJEAGWSA-N -1 3 388.428 0.345 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573465212 945971302 /nfs/dbraw/zinc/97/13/02/945971302.db2.gz VLHXPAIIPXYHHL-ZWNOBZJWSA-N -1 3 389.435 0.861 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573465212 945971311 /nfs/dbraw/zinc/97/13/11/945971311.db2.gz VLHXPAIIPXYHHL-ZWNOBZJWSA-N -1 3 389.435 0.861 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573467330 945977056 /nfs/dbraw/zinc/97/70/56/945977056.db2.gz BUSJPLYIAQJOQT-LLVKDONJSA-N -1 3 392.439 0.599 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573467330 945977064 /nfs/dbraw/zinc/97/70/64/945977064.db2.gz BUSJPLYIAQJOQT-LLVKDONJSA-N -1 3 392.439 0.599 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467644 945984629 /nfs/dbraw/zinc/98/46/29/945984629.db2.gz GVYJOPNKPKWIJA-SMDDNHRTSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467644 945984630 /nfs/dbraw/zinc/98/46/30/945984630.db2.gz GVYJOPNKPKWIJA-SMDDNHRTSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573468131 945991789 /nfs/dbraw/zinc/99/17/89/945991789.db2.gz KYUQXCHGOATRAP-DTWKUNHWSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573468131 945991796 /nfs/dbraw/zinc/99/17/96/945991796.db2.gz KYUQXCHGOATRAP-DTWKUNHWSA-N -1 3 380.840 0.699 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822210870 945996736 /nfs/dbraw/zinc/99/67/36/945996736.db2.gz ULFFJWMENBUPQZ-ZUZCIYMTSA-N -1 3 398.379 0.373 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822210870 945996744 /nfs/dbraw/zinc/99/67/44/945996744.db2.gz ULFFJWMENBUPQZ-ZUZCIYMTSA-N -1 3 398.379 0.373 20 0 GCADHM CC(C)(F)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571289249 945997463 /nfs/dbraw/zinc/99/74/63/945997463.db2.gz YBOXSWZMVUSEGE-CQSZACIVSA-N -1 3 388.451 0.733 20 0 GCADHM CC(C)(F)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571289249 945997472 /nfs/dbraw/zinc/99/74/72/945997472.db2.gz YBOXSWZMVUSEGE-CQSZACIVSA-N -1 3 388.451 0.733 20 0 GCADHM COCc1nc(CN[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cs1 ZINC001571289411 946003437 /nfs/dbraw/zinc/00/34/37/946003437.db2.gz CGSBTHLBFIMOMU-LLVKDONJSA-N -1 3 388.457 0.802 20 0 GCADHM COCc1nc(CN[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cs1 ZINC001571289411 946003449 /nfs/dbraw/zinc/00/34/49/946003449.db2.gz CGSBTHLBFIMOMU-LLVKDONJSA-N -1 3 388.457 0.802 20 0 GCADHM Cc1nsc(N[C@H]2CC[C@H](NC(=O)c3ncn(C)n3)CC2)c1-c1nnn[n-]1 ZINC001571289374 946003887 /nfs/dbraw/zinc/00/38/87/946003887.db2.gz AYNZMKVHJVJROQ-MGCOHNPYSA-N -1 3 388.461 0.913 20 0 GCADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3ccn(C)c3C)C2)c1-c1nnn[n-]1 ZINC001571289370 946004352 /nfs/dbraw/zinc/00/43/52/946004352.db2.gz ASUJJVYMOIQHLK-VXGBXAGGSA-N -1 3 388.457 0.258 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573469262 946005455 /nfs/dbraw/zinc/00/54/55/946005455.db2.gz UOBQGEMRHAQMDU-QGLTVNCISA-N -1 3 386.460 0.968 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573469262 946005465 /nfs/dbraw/zinc/00/54/65/946005465.db2.gz UOBQGEMRHAQMDU-QGLTVNCISA-N -1 3 386.460 0.968 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573469703 946007820 /nfs/dbraw/zinc/00/78/20/946007820.db2.gz WWRFCAJEXNUJIY-LLVKDONJSA-N -1 3 390.448 0.028 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573469703 946007824 /nfs/dbraw/zinc/00/78/24/946007824.db2.gz WWRFCAJEXNUJIY-LLVKDONJSA-N -1 3 390.448 0.028 20 0 GCADHM O=c1cc(C[N@@H+]2CCSC3(CCOCC3)C2)nc2c(-c3nn[n-]n3)c[n-]n21 ZINC001571289542 946009332 /nfs/dbraw/zinc/00/93/32/946009332.db2.gz HELDCSBRUKPYDE-UHFFFAOYSA-N -1 3 388.457 0.713 20 0 GCADHM O=c1cc(C[N@H+]2CCSC3(CCOCC3)C2)nc2c(-c3nn[n-]n3)c[n-]n21 ZINC001571289542 946009341 /nfs/dbraw/zinc/00/93/41/946009341.db2.gz HELDCSBRUKPYDE-UHFFFAOYSA-N -1 3 388.457 0.713 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573469760 946010895 /nfs/dbraw/zinc/01/08/95/946010895.db2.gz XINWIZXGQHTJQV-XYPYZODXSA-N -1 3 375.408 0.980 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573469760 946010905 /nfs/dbraw/zinc/01/09/05/946010905.db2.gz XINWIZXGQHTJQV-XYPYZODXSA-N -1 3 375.408 0.980 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573469820 946011274 /nfs/dbraw/zinc/01/12/74/946011274.db2.gz XSXOPEBOHNSCCC-JTQLQIEISA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573469820 946011285 /nfs/dbraw/zinc/01/12/85/946011285.db2.gz XSXOPEBOHNSCCC-JTQLQIEISA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573469823 946012443 /nfs/dbraw/zinc/01/24/43/946012443.db2.gz XSXOPEBOHNSCCC-SNVBAGLBSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573469823 946012452 /nfs/dbraw/zinc/01/24/52/946012452.db2.gz XSXOPEBOHNSCCC-SNVBAGLBSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573469944 946013596 /nfs/dbraw/zinc/01/35/96/946013596.db2.gz AFTUVWUGZRTBBR-JSGCOSHPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573469944 946013605 /nfs/dbraw/zinc/01/36/05/946013605.db2.gz AFTUVWUGZRTBBR-JSGCOSHPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573470002 946013797 /nfs/dbraw/zinc/01/37/97/946013797.db2.gz ZGWYURJZBYJDLU-ABAIWWIYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573470002 946013805 /nfs/dbraw/zinc/01/38/05/946013805.db2.gz ZGWYURJZBYJDLU-ABAIWWIYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573470112 946016069 /nfs/dbraw/zinc/01/60/69/946016069.db2.gz BGKBLVSMBXIQMZ-GFCCVEGCSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573470112 946016076 /nfs/dbraw/zinc/01/60/76/946016076.db2.gz BGKBLVSMBXIQMZ-GFCCVEGCSA-N -1 3 386.460 0.888 20 0 GCADHM Cc1nsc(NC[C@@H]2CCCN2C(=O)c2nnn(C)c2C)c1-c1nnn[n-]1 ZINC001571289795 946016807 /nfs/dbraw/zinc/01/68/07/946016807.db2.gz MRMFLZXZWFWYBF-JTQLQIEISA-N -1 3 388.461 0.785 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573470244 946018665 /nfs/dbraw/zinc/01/86/65/946018665.db2.gz BKDQFGDTIYWCAX-JSGCOSHPSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573470244 946018674 /nfs/dbraw/zinc/01/86/74/946018674.db2.gz BKDQFGDTIYWCAX-JSGCOSHPSA-N -1 3 386.460 0.379 20 0 GCADHM Cc1nsc(NCC[C@H]2CCN(C(=O)c3ncn(C)n3)C2)c1-c1nnn[n-]1 ZINC001571289844 946019375 /nfs/dbraw/zinc/01/93/75/946019375.db2.gz NVAJWKQNVIVZFA-JTQLQIEISA-N -1 3 388.461 0.724 20 0 GCADHM Cc1cnc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)s1 ZINC001571289879 946019880 /nfs/dbraw/zinc/01/98/80/946019880.db2.gz ORTAZLVHFIRIEB-MFKMUULPSA-N -1 3 388.457 0.325 20 0 GCADHM Cc1cnc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)s1 ZINC001571289879 946019891 /nfs/dbraw/zinc/01/98/91/946019891.db2.gz ORTAZLVHFIRIEB-MFKMUULPSA-N -1 3 388.457 0.325 20 0 GCADHM Cc1nsc(N[C@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)c1-c1nnn[n-]1 ZINC001571289848 946020619 /nfs/dbraw/zinc/02/06/19/946020619.db2.gz NWEAEQCUXWYWJE-QWRGUYRKSA-N -1 3 388.461 0.887 20 0 GCADHM Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC(=O)N2)C3)c1-c1nnn[n-]1 ZINC001571289883 946021201 /nfs/dbraw/zinc/02/12/01/946021201.db2.gz OWBCORXBZZXUJK-ZNSHCXBVSA-N -1 3 388.457 0.136 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573470396 946022143 /nfs/dbraw/zinc/02/21/43/946022143.db2.gz DOZFKVFCLPLYRY-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573470396 946022152 /nfs/dbraw/zinc/02/21/52/946022152.db2.gz DOZFKVFCLPLYRY-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM Cc1nsc(N2CCCC[C@H]2CNC(=O)c2ncn(C)n2)c1-c1nnn[n-]1 ZINC001571289938 946022585 /nfs/dbraw/zinc/02/25/85/946022585.db2.gz QHSGHJYBDTUWHU-JTQLQIEISA-N -1 3 388.461 0.549 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573470532 946026735 /nfs/dbraw/zinc/02/67/35/946026735.db2.gz GORCCGVVPJUNCI-SECBINFHSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573470532 946026755 /nfs/dbraw/zinc/02/67/55/946026755.db2.gz GORCCGVVPJUNCI-SECBINFHSA-N -1 3 376.396 0.328 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C2)c1-c1nnn[n-]1 ZINC001571290061 946029754 /nfs/dbraw/zinc/02/97/54/946029754.db2.gz ULCDEVKJGCYWIV-LLVKDONJSA-N -1 3 388.461 0.406 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573470575 946030208 /nfs/dbraw/zinc/03/02/08/946030208.db2.gz HEEJENSEQJOYKA-KOLCDFICSA-N -1 3 378.462 0.417 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)c3cccn3C)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571290135 946033462 /nfs/dbraw/zinc/03/34/62/946033462.db2.gz VWYFQEXLSBPYIW-JQWIXIFHSA-N -1 3 388.457 0.340 20 0 GCADHM CN(C)c1nc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)ns1 ZINC001571290259 946034944 /nfs/dbraw/zinc/03/49/44/946034944.db2.gz YUNKJVRFXMXHCZ-VIFPVBQESA-N -1 3 388.461 0.117 20 0 GCADHM CN(C)c1nc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)ns1 ZINC001571290259 946034957 /nfs/dbraw/zinc/03/49/57/946034957.db2.gz YUNKJVRFXMXHCZ-VIFPVBQESA-N -1 3 388.461 0.117 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573470726 946036397 /nfs/dbraw/zinc/03/63/97/946036397.db2.gz JMMSVNUVRCVHDX-KPZWWZAWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573470726 946036411 /nfs/dbraw/zinc/03/64/11/946036411.db2.gz JMMSVNUVRCVHDX-KPZWWZAWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573471343 946048458 /nfs/dbraw/zinc/04/84/58/946048458.db2.gz NYSAXSSGJWQIBF-ZWNOBZJWSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573471343 946048470 /nfs/dbraw/zinc/04/84/70/946048470.db2.gz NYSAXSSGJWQIBF-ZWNOBZJWSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573471341 946049548 /nfs/dbraw/zinc/04/95/48/946049548.db2.gz NYSAXSSGJWQIBF-GXFFZTMASA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573471341 946049560 /nfs/dbraw/zinc/04/95/60/946049560.db2.gz NYSAXSSGJWQIBF-GXFFZTMASA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573471445 946049841 /nfs/dbraw/zinc/04/98/41/946049841.db2.gz PAOMZPJLJUTXJP-OCCSQVGLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573471445 946049853 /nfs/dbraw/zinc/04/98/53/946049853.db2.gz PAOMZPJLJUTXJP-OCCSQVGLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573471585 946052262 /nfs/dbraw/zinc/05/22/62/946052262.db2.gz POQFUSQGFUHLAZ-LBPRGKRZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573471585 946052272 /nfs/dbraw/zinc/05/22/72/946052272.db2.gz POQFUSQGFUHLAZ-LBPRGKRZSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)Cn1cncn1 ZINC001571290735 946053136 /nfs/dbraw/zinc/05/31/36/946053136.db2.gz NNNHAMBTQGRVOO-SKDRFNHKSA-N -1 3 388.823 0.608 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cn1cncn1 ZINC001571290735 946053149 /nfs/dbraw/zinc/05/31/49/946053149.db2.gz NNNHAMBTQGRVOO-SKDRFNHKSA-N -1 3 388.823 0.608 20 0 GCADHM Cn1nncc1C(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571290766 946053896 /nfs/dbraw/zinc/05/38/96/946053896.db2.gz OFNAEKFYELSIEJ-SNVBAGLBSA-N -1 3 388.823 0.760 20 0 GCADHM Cn1nncc1C(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571290766 946053909 /nfs/dbraw/zinc/05/39/09/946053909.db2.gz OFNAEKFYELSIEJ-SNVBAGLBSA-N -1 3 388.823 0.760 20 0 GCADHM Cc1nn[nH]c1C(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571290758 946054816 /nfs/dbraw/zinc/05/48/16/946054816.db2.gz OBKGGKCXDFFCJW-UHFFFAOYSA-N -1 3 388.823 0.962 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573472108 946057899 /nfs/dbraw/zinc/05/78/99/946057899.db2.gz SIWRJSHREAEINC-OCCSQVGLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573472108 946057914 /nfs/dbraw/zinc/05/79/14/946057914.db2.gz SIWRJSHREAEINC-OCCSQVGLSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cn(C)nn1 ZINC001571290910 946059884 /nfs/dbraw/zinc/05/98/84/946059884.db2.gz ULGVAJGELYXHHL-GZMMTYOYSA-N -1 3 388.823 0.759 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cn(C)nn1 ZINC001571290910 946059897 /nfs/dbraw/zinc/05/98/97/946059897.db2.gz ULGVAJGELYXHHL-GZMMTYOYSA-N -1 3 388.823 0.759 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cn(C)nn1 ZINC001571290911 946060431 /nfs/dbraw/zinc/06/04/31/946060431.db2.gz ULGVAJGELYXHHL-KCJUWKMLSA-N -1 3 388.823 0.759 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cn(C)nn1 ZINC001571290911 946060439 /nfs/dbraw/zinc/06/04/39/946060439.db2.gz ULGVAJGELYXHHL-KCJUWKMLSA-N -1 3 388.823 0.759 20 0 GCADHM CCN(C(=O)c1cn[nH]n1)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571290941 946062833 /nfs/dbraw/zinc/06/28/33/946062833.db2.gz VAHJKINHHRQUOO-SNVBAGLBSA-N -1 3 388.823 0.774 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001573472620 946066131 /nfs/dbraw/zinc/06/61/31/946066131.db2.gz WNZRTWCXRZFING-RLCCDNCMSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573472620 946066145 /nfs/dbraw/zinc/06/61/45/946066145.db2.gz WNZRTWCXRZFING-RLCCDNCMSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001573472659 946066472 /nfs/dbraw/zinc/06/64/72/946066472.db2.gz WYYDPJRFTWTCEN-FPMFFAJLSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001573472659 946066482 /nfs/dbraw/zinc/06/64/82/946066482.db2.gz WYYDPJRFTWTCEN-FPMFFAJLSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573472396 946067454 /nfs/dbraw/zinc/06/74/54/946067454.db2.gz WFQVQHMFFICYHR-DOMZBBRYSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573472396 946067464 /nfs/dbraw/zinc/06/74/64/946067464.db2.gz WFQVQHMFFICYHR-DOMZBBRYSA-N -1 3 386.460 0.969 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCN(C)C(=O)C2)c(-c2nnn[n-]2)cn1CC ZINC001571291254 946075570 /nfs/dbraw/zinc/07/55/70/946075570.db2.gz HNPFMFKGDPCKAV-JTQLQIEISA-N -1 3 389.416 0.672 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCN(C)C(=O)C2)c(-c2nn[n-]n2)cn1CC ZINC001571291254 946075584 /nfs/dbraw/zinc/07/55/84/946075584.db2.gz HNPFMFKGDPCKAV-JTQLQIEISA-N -1 3 389.416 0.672 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573473275 946076756 /nfs/dbraw/zinc/07/67/56/946076756.db2.gz BARQPLUYKLSSDT-GIPNMCIBSA-N -1 3 390.423 0.432 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573473275 946076765 /nfs/dbraw/zinc/07/67/65/946076765.db2.gz BARQPLUYKLSSDT-GIPNMCIBSA-N -1 3 390.423 0.432 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001573473603 946081986 /nfs/dbraw/zinc/08/19/86/946081986.db2.gz FAKRJMLRJGGYKK-ZMZPIMSZSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001573473603 946081997 /nfs/dbraw/zinc/08/19/97/946081997.db2.gz FAKRJMLRJGGYKK-ZMZPIMSZSA-N -1 3 386.460 0.792 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@]2(C)C[C@H](O)CN2C)cc1-c1nnn[n-]1 ZINC001571291971 946082701 /nfs/dbraw/zinc/08/27/01/946082701.db2.gz ROYHWAXJVFESCU-APPDUMDISA-N -1 3 389.416 0.829 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@]2(C)C[C@H](O)CN2C)cc1-c1nn[n-]n1 ZINC001571291971 946082712 /nfs/dbraw/zinc/08/27/12/946082712.db2.gz ROYHWAXJVFESCU-APPDUMDISA-N -1 3 389.416 0.829 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001573473931 946083739 /nfs/dbraw/zinc/08/37/39/946083739.db2.gz GMSZNXHADZKYJG-PVXIVEMSSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001573473931 946083748 /nfs/dbraw/zinc/08/37/48/946083748.db2.gz GMSZNXHADZKYJG-PVXIVEMSSA-N -1 3 384.444 0.214 20 0 GCADHM O=C(NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCC1(F)F)c1ccn[nH]1 ZINC001571291829 946084153 /nfs/dbraw/zinc/08/41/53/946084153.db2.gz QTMKFTQCBBTGNQ-JTQLQIEISA-N -1 3 389.370 0.876 20 0 GCADHM O=C(NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCC1(F)F)c1ccn[nH]1 ZINC001571291829 946084164 /nfs/dbraw/zinc/08/41/64/946084164.db2.gz QTMKFTQCBBTGNQ-JTQLQIEISA-N -1 3 389.370 0.876 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573474085 946085802 /nfs/dbraw/zinc/08/58/02/946085802.db2.gz IGEAMMLQLHWYFY-GHMZBOCLSA-N -1 3 389.435 0.467 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573474168 946088684 /nfs/dbraw/zinc/08/86/84/946088684.db2.gz ITUBEPJBTFVGHM-GFCCVEGCSA-N -1 3 389.435 0.565 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)C1CCN(C(=O)c2cnsn2)CC1 ZINC001571292170 946089024 /nfs/dbraw/zinc/08/90/24/946089024.db2.gz UYMGZACXXPQLJD-UHFFFAOYSA-N -1 3 389.420 0.993 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)C1CCN(C(=O)c2cnsn2)CC1 ZINC001571292170 946089038 /nfs/dbraw/zinc/08/90/38/946089038.db2.gz UYMGZACXXPQLJD-UHFFFAOYSA-N -1 3 389.420 0.993 20 0 GCADHM Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3sccc3F)C2)ccc1-c1nnn[n-]1 ZINC001571292230 946090997 /nfs/dbraw/zinc/09/09/97/946090997.db2.gz VYWAXZRHZANCLH-VXGBXAGGSA-N -1 3 389.416 0.750 20 0 GCADHM Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3sccc3F)C2)ccc1-c1nn[n-]n1 ZINC001571292230 946091005 /nfs/dbraw/zinc/09/10/05/946091005.db2.gz VYWAXZRHZANCLH-VXGBXAGGSA-N -1 3 389.416 0.750 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571292247 946091967 /nfs/dbraw/zinc/09/19/67/946091967.db2.gz WJWRYYNVYGUPJX-WDEREUQCSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571292247 946091975 /nfs/dbraw/zinc/09/19/75/946091975.db2.gz WJWRYYNVYGUPJX-WDEREUQCSA-N -1 3 389.416 0.067 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573474600 946093266 /nfs/dbraw/zinc/09/32/66/946093266.db2.gz LJJRXUFUXJOCMZ-TZMCWYRMSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573474600 946093278 /nfs/dbraw/zinc/09/32/78/946093278.db2.gz LJJRXUFUXJOCMZ-TZMCWYRMSA-N -1 3 386.460 0.604 20 0 GCADHM CC[C@H](NC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC001571292412 946094736 /nfs/dbraw/zinc/09/47/36/946094736.db2.gz ZGBPVMZTRFMABX-ZDUSSCGKSA-N -1 3 389.416 0.634 20 0 GCADHM CC[C@H](NC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC001571292412 946094748 /nfs/dbraw/zinc/09/47/48/946094748.db2.gz ZGBPVMZTRFMABX-ZDUSSCGKSA-N -1 3 389.416 0.634 20 0 GCADHM CNC(=O)NC1CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC001571292455 946095193 /nfs/dbraw/zinc/09/51/93/946095193.db2.gz ZPNZGCQFNCJFTH-UHFFFAOYSA-N -1 3 389.416 0.174 20 0 GCADHM CNC(=O)NC1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC001571292455 946095198 /nfs/dbraw/zinc/09/51/98/946095198.db2.gz ZPNZGCQFNCJFTH-UHFFFAOYSA-N -1 3 389.416 0.174 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3snc(C)c3-c3nnn[n-]3)[C@H]2C)o1 ZINC001571293221 946097855 /nfs/dbraw/zinc/09/78/55/946097855.db2.gz BOGXZSKTBCUASS-SCZZXKLOSA-N -1 3 389.445 0.967 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2O)o1 ZINC001571293217 946097887 /nfs/dbraw/zinc/09/78/87/946097887.db2.gz BHMUBUKEGLJPLN-NEPJUHHUSA-N -1 3 389.441 0.441 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573475395 946099840 /nfs/dbraw/zinc/09/98/40/946099840.db2.gz SUWCIPXRXCFMFJ-VIFPVBQESA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573475395 946099846 /nfs/dbraw/zinc/09/98/46/946099846.db2.gz SUWCIPXRXCFMFJ-VIFPVBQESA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573475354 946100383 /nfs/dbraw/zinc/10/03/83/946100383.db2.gz RRBSKUOMPQVYIN-WFASDCNBSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573475354 946100390 /nfs/dbraw/zinc/10/03/90/946100390.db2.gz RRBSKUOMPQVYIN-WFASDCNBSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573475210 946101217 /nfs/dbraw/zinc/10/12/17/946101217.db2.gz QTZUJQDLCRNXSR-DOMZBBRYSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573475210 946101223 /nfs/dbraw/zinc/10/12/23/946101223.db2.gz QTZUJQDLCRNXSR-DOMZBBRYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC001571293407 946104026 /nfs/dbraw/zinc/10/40/26/946104026.db2.gz HOZQVURKMJNSDP-LLVKDONJSA-N -1 3 389.441 0.926 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC001571293407 946104029 /nfs/dbraw/zinc/10/40/29/946104029.db2.gz HOZQVURKMJNSDP-LLVKDONJSA-N -1 3 389.441 0.926 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573475791 946106159 /nfs/dbraw/zinc/10/61/59/946106159.db2.gz AVXIWWMCIVDCAE-OCCSQVGLSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573475791 946106169 /nfs/dbraw/zinc/10/61/69/946106169.db2.gz AVXIWWMCIVDCAE-OCCSQVGLSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573475790 946106727 /nfs/dbraw/zinc/10/67/27/946106727.db2.gz AVXIWWMCIVDCAE-JSGCOSHPSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573475790 946106730 /nfs/dbraw/zinc/10/67/30/946106730.db2.gz AVXIWWMCIVDCAE-JSGCOSHPSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573476065 946111794 /nfs/dbraw/zinc/11/17/94/946111794.db2.gz YLWMMESUTURYDC-USWWRNFRSA-N -1 3 375.458 0.238 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)s1 ZINC001573476065 946111801 /nfs/dbraw/zinc/11/18/01/946111801.db2.gz YLWMMESUTURYDC-USWWRNFRSA-N -1 3 375.458 0.238 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573476084 946112363 /nfs/dbraw/zinc/11/23/63/946112363.db2.gz YTYUUKUMJPRYHS-LBPRGKRZSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573476084 946112369 /nfs/dbraw/zinc/11/23/69/946112369.db2.gz YTYUUKUMJPRYHS-LBPRGKRZSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573476073 946112441 /nfs/dbraw/zinc/11/24/41/946112441.db2.gz YMSHENNFCAIQKE-JMSVASOKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573476073 946112445 /nfs/dbraw/zinc/11/24/45/946112445.db2.gz YMSHENNFCAIQKE-JMSVASOKSA-N -1 3 386.460 0.825 20 0 GCADHM CCOC1CC(CN2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571293669 946113975 /nfs/dbraw/zinc/11/39/75/946113975.db2.gz OODVZMAVFCVZDZ-HNFVBEJKSA-N -1 3 389.460 0.441 20 0 GCADHM CCOC1CC(CN2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571293669 946113984 /nfs/dbraw/zinc/11/39/84/946113984.db2.gz OODVZMAVFCVZDZ-HNFVBEJKSA-N -1 3 389.460 0.441 20 0 GCADHM Cn1nccc1[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001571293724 946114333 /nfs/dbraw/zinc/11/43/33/946114333.db2.gz PWPOIYDCENQUDC-IUODEOHRSA-N -1 3 389.441 0.799 20 0 GCADHM Cn1nccc1[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001571293724 946114338 /nfs/dbraw/zinc/11/43/38/946114338.db2.gz PWPOIYDCENQUDC-IUODEOHRSA-N -1 3 389.441 0.799 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573476366 946116958 /nfs/dbraw/zinc/11/69/58/946116958.db2.gz FXGMZRUYOVHYLH-VIFPVBQESA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573476366 946116971 /nfs/dbraw/zinc/11/69/71/946116971.db2.gz FXGMZRUYOVHYLH-VIFPVBQESA-N -1 3 392.851 0.525 20 0 GCADHM Cc1nsc(N2CCC[C@@H]2CNC(=O)c2cn(C)c(=O)[nH]2)c1-c1nnn[n-]1 ZINC001571293967 946119795 /nfs/dbraw/zinc/11/97/95/946119795.db2.gz XCHFESZSHFTIMD-SECBINFHSA-N -1 3 389.445 0.470 20 0 GCADHM Cc1nsc(N2CCC[C@@H]2CNC(=O)c2cn(C)c(=O)[nH]2)c1-c1nn[n-]n1 ZINC001571293967 946119799 /nfs/dbraw/zinc/11/97/99/946119799.db2.gz XCHFESZSHFTIMD-SECBINFHSA-N -1 3 389.445 0.470 20 0 GCADHM CO[C@@H](C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1)C(C)C ZINC001571293921 946119946 /nfs/dbraw/zinc/11/99/46/946119946.db2.gz WEIWWYJKZOPGCE-UXIGCNINSA-N -1 3 389.460 0.690 20 0 GCADHM CO[C@@H](C(=O)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1)C(C)C ZINC001571293921 946119956 /nfs/dbraw/zinc/11/99/56/946119956.db2.gz WEIWWYJKZOPGCE-UXIGCNINSA-N -1 3 389.460 0.690 20 0 GCADHM CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3nnn[n-]3)[nH]c2C)cc1 ZINC001571293946 946120470 /nfs/dbraw/zinc/12/04/70/946120470.db2.gz WRYROJMNMZJNFD-UHFFFAOYSA-N -1 3 389.441 0.384 20 0 GCADHM CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3nn[n-]n3)[nH]c2C)cc1 ZINC001571293946 946120481 /nfs/dbraw/zinc/12/04/81/946120481.db2.gz WRYROJMNMZJNFD-UHFFFAOYSA-N -1 3 389.441 0.384 20 0 GCADHM CC[C@H](OC)C(=O)N1CCC[C@](CO)(Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571293961 946120669 /nfs/dbraw/zinc/12/06/69/946120669.db2.gz XBJYWIOGPQINBC-KSSFIOAISA-N -1 3 389.460 0.761 20 0 GCADHM CC[C@H](OC)C(=O)N1CCC[C@](CO)(Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571293961 946120676 /nfs/dbraw/zinc/12/06/76/946120676.db2.gz XBJYWIOGPQINBC-KSSFIOAISA-N -1 3 389.460 0.761 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573476685 946123196 /nfs/dbraw/zinc/12/31/96/946123196.db2.gz IVVSEFQEHLLHOU-JDNHERCYSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573476685 946123205 /nfs/dbraw/zinc/12/32/05/946123205.db2.gz IVVSEFQEHLLHOU-JDNHERCYSA-N -1 3 376.396 0.010 20 0 GCADHM Cc1sc(NC(=O)CN2CCC[C@H](OCCO)C2)c(-c2nnn[n-]2)c1C ZINC000822556553 946123829 /nfs/dbraw/zinc/12/38/29/946123829.db2.gz CQJHOVRNPABSFQ-LBPRGKRZSA-N -1 3 380.474 0.957 20 0 GCADHM Cc1sc(NC(=O)CN2CCC[C@H](OCCO)C2)c(-c2nn[n-]n2)c1C ZINC000822556553 946123834 /nfs/dbraw/zinc/12/38/34/946123834.db2.gz CQJHOVRNPABSFQ-LBPRGKRZSA-N -1 3 380.474 0.957 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573476701 946124244 /nfs/dbraw/zinc/12/42/44/946124244.db2.gz IWZIIEHLZJNWIF-GXFFZTMASA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573476701 946124250 /nfs/dbraw/zinc/12/42/50/946124250.db2.gz IWZIIEHLZJNWIF-GXFFZTMASA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nc1)C2 ZINC001573476876 946125591 /nfs/dbraw/zinc/12/55/91/946125591.db2.gz KKYBKNZJSKUQQI-QYAFQCRZSA-N -1 3 384.444 0.626 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nc1)C2 ZINC001573476876 946125596 /nfs/dbraw/zinc/12/55/96/946125596.db2.gz KKYBKNZJSKUQQI-QYAFQCRZSA-N -1 3 384.444 0.626 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)nc1)C2 ZINC001573476875 946125952 /nfs/dbraw/zinc/12/59/52/946125952.db2.gz KKYBKNZJSKUQQI-JLYCSWFNSA-N -1 3 384.444 0.626 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)nc1)C2 ZINC001573476875 946125959 /nfs/dbraw/zinc/12/59/59/946125959.db2.gz KKYBKNZJSKUQQI-JLYCSWFNSA-N -1 3 384.444 0.626 20 0 GCADHM Cc1sc(NC(=O)CN2CCC[C@H]2CS(N)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000822558366 946126572 /nfs/dbraw/zinc/12/65/72/946126572.db2.gz PKWKWGQVDMAURL-JTQLQIEISA-N -1 3 399.502 0.236 20 0 GCADHM Cc1sc(NC(=O)CN2CCC[C@H]2CS(N)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000822558366 946126578 /nfs/dbraw/zinc/12/65/78/946126578.db2.gz PKWKWGQVDMAURL-JTQLQIEISA-N -1 3 399.502 0.236 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294143 946128534 /nfs/dbraw/zinc/12/85/34/946128534.db2.gz BPJNBDNSNOJPND-WCQYABFASA-N -1 3 389.485 0.630 20 0 GCADHM Cc1sc(NC(=O)CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000822562672 946128750 /nfs/dbraw/zinc/12/87/50/946128750.db2.gz CWSPFNXPGBBRRO-MWLCHTKSSA-N -1 3 398.514 0.991 20 0 GCADHM Cc1sc(NC(=O)CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000822562672 946128756 /nfs/dbraw/zinc/12/87/56/946128756.db2.gz CWSPFNXPGBBRRO-MWLCHTKSSA-N -1 3 398.514 0.991 20 0 GCADHM Cc1sc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000822562673 946128958 /nfs/dbraw/zinc/12/89/58/946128958.db2.gz CWSPFNXPGBBRRO-ONGXEEELSA-N -1 3 398.514 0.991 20 0 GCADHM Cc1sc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000822562673 946128960 /nfs/dbraw/zinc/12/89/60/946128960.db2.gz CWSPFNXPGBBRRO-ONGXEEELSA-N -1 3 398.514 0.991 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573477261 946129504 /nfs/dbraw/zinc/12/95/04/946129504.db2.gz NMPYYPXISBSKBY-JOYOIKCWSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573477261 946129510 /nfs/dbraw/zinc/12/95/10/946129510.db2.gz NMPYYPXISBSKBY-JOYOIKCWSA-N -1 3 392.851 0.525 20 0 GCADHM Cn1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(Cl)n1 ZINC001571294270 946130314 /nfs/dbraw/zinc/13/03/14/946130314.db2.gz CVOAKPGNMZEZHN-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM Cn1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(Cl)n1 ZINC001571294270 946130322 /nfs/dbraw/zinc/13/03/22/946130322.db2.gz CVOAKPGNMZEZHN-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccccc3-c3nnn[n-]3)cnc21 ZINC000822590157 946133240 /nfs/dbraw/zinc/13/32/40/946133240.db2.gz JKEYTCQLCVSNFW-UHFFFAOYSA-N -1 3 379.336 0.571 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccccc3-c3nn[n-]n3)cnc21 ZINC000822590157 946133246 /nfs/dbraw/zinc/13/32/46/946133246.db2.gz JKEYTCQLCVSNFW-UHFFFAOYSA-N -1 3 379.336 0.571 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573477355 946133834 /nfs/dbraw/zinc/13/38/34/946133834.db2.gz PCTSVQVBZDHRET-MWLCHTKSSA-N -1 3 378.462 0.241 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571294486 946135578 /nfs/dbraw/zinc/13/55/78/946135578.db2.gz HMCVBDJBMQMKAZ-SECBINFHSA-N -1 3 389.807 0.979 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571294486 946135590 /nfs/dbraw/zinc/13/55/90/946135590.db2.gz HMCVBDJBMQMKAZ-SECBINFHSA-N -1 3 389.807 0.979 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1ncc(Br)cn1 ZINC001571294466 946136541 /nfs/dbraw/zinc/13/65/41/946136541.db2.gz IBRAQBCHMMHGSF-UHFFFAOYSA-N -1 3 390.205 0.543 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1ncc(Br)cn1 ZINC001571294466 946136546 /nfs/dbraw/zinc/13/65/46/946136546.db2.gz IBRAQBCHMMHGSF-UHFFFAOYSA-N -1 3 390.205 0.543 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294509 946136784 /nfs/dbraw/zinc/13/67/84/946136784.db2.gz ICACIGARJLQWIB-CYBMUJFWSA-N -1 3 389.485 0.487 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573477581 946139146 /nfs/dbraw/zinc/13/91/46/946139146.db2.gz SDTSPXBVWUFIGN-GZMMTYOYSA-N -1 3 378.824 0.135 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573477581 946139150 /nfs/dbraw/zinc/13/91/50/946139150.db2.gz SDTSPXBVWUFIGN-GZMMTYOYSA-N -1 3 378.824 0.135 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCO[C@@H](CNc2ncncc2Cl)C1 ZINC001571294671 946140880 /nfs/dbraw/zinc/14/08/80/946140880.db2.gz LNSNLXRRPOMVDS-JTQLQIEISA-N -1 3 389.807 0.591 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCO[C@@H](CNc2ncncc2Cl)C1 ZINC001571294671 946140892 /nfs/dbraw/zinc/14/08/92/946140892.db2.gz LNSNLXRRPOMVDS-JTQLQIEISA-N -1 3 389.807 0.591 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC001571294639 946140945 /nfs/dbraw/zinc/14/09/45/946140945.db2.gz KPYZJHWCUYQDES-LLVKDONJSA-N -1 3 389.851 0.928 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC001571294639 946140954 /nfs/dbraw/zinc/14/09/54/946140954.db2.gz KPYZJHWCUYQDES-LLVKDONJSA-N -1 3 389.851 0.928 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573477767 946141036 /nfs/dbraw/zinc/14/10/36/946141036.db2.gz UAFCHSGEHAUHDW-NHYWBVRUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573477767 946141042 /nfs/dbraw/zinc/14/10/42/946141042.db2.gz UAFCHSGEHAUHDW-NHYWBVRUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573477819 946144097 /nfs/dbraw/zinc/14/40/97/946144097.db2.gz UJVSUZXSTNFOHV-ZWNOBZJWSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573477819 946144102 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XKCYGVBUOJXWJU-OQPBUACISA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573478862 946152564 /nfs/dbraw/zinc/15/25/64/946152564.db2.gz ZBICOLWBQUXJLG-RKDXNWHRSA-N -1 3 380.840 0.381 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573478862 946152568 /nfs/dbraw/zinc/15/25/68/946152568.db2.gz ZBICOLWBQUXJLG-RKDXNWHRSA-N -1 3 380.840 0.381 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](NC(=O)c3ccoc3Cl)C2)n1 ZINC001571295186 946156920 /nfs/dbraw/zinc/15/69/20/946156920.db2.gz PMNCNIZMCUFTAV-VXGBXAGGSA-N -1 3 389.803 0.796 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](NC(=O)c3ccoc3Cl)C2)n1 ZINC001571295186 946156929 /nfs/dbraw/zinc/15/69/29/946156929.db2.gz PMNCNIZMCUFTAV-VXGBXAGGSA-N -1 3 389.803 0.796 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CC(Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573479242 946157025 /nfs/dbraw/zinc/15/70/25/946157025.db2.gz AXMSRMQPAFUACK-PUSIOWJLSA-N -1 3 378.462 0.463 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)NC1 ZINC001571295252 946157237 /nfs/dbraw/zinc/15/72/37/946157237.db2.gz QZJRCYMARCDKHI-VXGBXAGGSA-N -1 3 389.485 0.535 20 0 GCADHM Cn1cccc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1=O ZINC000822689914 946157918 /nfs/dbraw/zinc/15/79/18/946157918.db2.gz RQUSTJDGVGHRLZ-UHFFFAOYSA-N -1 3 379.336 0.972 20 0 GCADHM Cn1cccc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1=O ZINC000822689914 946157924 /nfs/dbraw/zinc/15/79/24/946157924.db2.gz RQUSTJDGVGHRLZ-UHFFFAOYSA-N -1 3 379.336 0.972 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573479427 946159021 /nfs/dbraw/zinc/15/90/21/946159021.db2.gz CQLRYHSXBPUYGY-OIKLOGQESA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573479427 946159028 /nfs/dbraw/zinc/15/90/28/946159028.db2.gz CQLRYHSXBPUYGY-OIKLOGQESA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573479501 946161317 /nfs/dbraw/zinc/16/13/17/946161317.db2.gz DOLLPTQLFVHHBA-YGRLFVJLSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573479501 946161329 /nfs/dbraw/zinc/16/13/29/946161329.db2.gz DOLLPTQLFVHHBA-YGRLFVJLSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573479526 946162694 /nfs/dbraw/zinc/16/26/94/946162694.db2.gz DYGCMEOYYJVMTC-MWLCHTKSSA-N -1 3 392.851 0.382 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573479526 946162700 /nfs/dbraw/zinc/16/27/00/946162700.db2.gz DYGCMEOYYJVMTC-MWLCHTKSSA-N -1 3 392.851 0.382 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573479577 946163282 /nfs/dbraw/zinc/16/32/82/946163282.db2.gz FMLCISNRSZHRKF-JQWIXIFHSA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573479559 946163522 /nfs/dbraw/zinc/16/35/22/946163522.db2.gz FGMDUHMLTQSUIP-KZULUSFZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573479559 946163530 /nfs/dbraw/zinc/16/35/30/946163530.db2.gz FGMDUHMLTQSUIP-KZULUSFZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573479576 946164550 /nfs/dbraw/zinc/16/45/50/946164550.db2.gz FMLCISNRSZHRKF-CMPLNLGQSA-N -1 3 392.489 0.489 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC(=O)C1 ZINC001571295632 946169383 /nfs/dbraw/zinc/16/93/83/946169383.db2.gz ZZXMVNFYCVIKBT-DIFFPNOSSA-N -1 3 389.485 0.535 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573479992 946171250 /nfs/dbraw/zinc/17/12/50/946171250.db2.gz JCJLFFHBQKALHY-OCCSQVGLSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573479992 946171258 /nfs/dbraw/zinc/17/12/58/946171258.db2.gz JCJLFFHBQKALHY-OCCSQVGLSA-N -1 3 386.460 0.427 20 0 GCADHM COc1ccccc1CN(CCO)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571295725 946171590 /nfs/dbraw/zinc/17/15/90/946171590.db2.gz DDVNYATYJFOYDI-UHFFFAOYSA-N -1 3 390.425 0.454 20 0 GCADHM COc1ccccc1CN(CCO)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571295725 946171600 /nfs/dbraw/zinc/17/16/00/946171600.db2.gz DDVNYATYJFOYDI-UHFFFAOYSA-N -1 3 390.425 0.454 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573481035 946180996 /nfs/dbraw/zinc/18/09/96/946180996.db2.gz NQBBPEKGVJMVIW-GWCFXTLKSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573481035 946180998 /nfs/dbraw/zinc/18/09/98/946180998.db2.gz NQBBPEKGVJMVIW-GWCFXTLKSA-N -1 3 375.408 0.221 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@@H]1COCCO1 ZINC001571296263 946188865 /nfs/dbraw/zinc/18/88/65/946188865.db2.gz SCPLMCUSISKLJC-HOCLYGCPSA-N -1 3 390.419 0.502 20 0 GCADHM O=C(NCC1(O)CCS(=O)(=O)CC1)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001571296291 946190218 /nfs/dbraw/zinc/19/02/18/946190218.db2.gz TUMFBOPKMQCUSG-UHFFFAOYSA-N -1 3 390.425 0.018 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573482064 946191140 /nfs/dbraw/zinc/19/11/40/946191140.db2.gz UIXJUOILNKSJNR-QMMMGPOBSA-N -1 3 378.824 0.500 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573482064 946191147 /nfs/dbraw/zinc/19/11/47/946191147.db2.gz UIXJUOILNKSJNR-QMMMGPOBSA-N -1 3 378.824 0.500 20 0 GCADHM Cc1cnoc1C(=O)NC[C@H]1COCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001571296344 946191205 /nfs/dbraw/zinc/19/12/05/946191205.db2.gz VICZOIJPEKICJH-JTQLQIEISA-N -1 3 390.429 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573482235 946194169 /nfs/dbraw/zinc/19/41/69/946194169.db2.gz VMCHJTDDSPKJTB-WCQYABFASA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573482235 946194177 /nfs/dbraw/zinc/19/41/77/946194177.db2.gz VMCHJTDDSPKJTB-WCQYABFASA-N -1 3 389.435 0.863 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571296398 946194911 /nfs/dbraw/zinc/19/49/11/946194911.db2.gz WZEKPEWGXDGJGH-SCRDCRAPSA-N -1 3 390.423 0.181 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571296398 946194922 /nfs/dbraw/zinc/19/49/22/946194922.db2.gz WZEKPEWGXDGJGH-SCRDCRAPSA-N -1 3 390.423 0.181 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCCO1 ZINC001571296511 946197729 /nfs/dbraw/zinc/19/77/29/946197729.db2.gz ZQNJXVOGMXENPB-ZBFHGGJFSA-N -1 3 390.419 0.502 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCCO1 ZINC001571296511 946197734 /nfs/dbraw/zinc/19/77/34/946197734.db2.gz ZQNJXVOGMXENPB-ZBFHGGJFSA-N -1 3 390.419 0.502 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573482594 946198888 /nfs/dbraw/zinc/19/88/88/946198888.db2.gz YKOJEMDKUWCLDJ-PWSUYJOCSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573482594 946198896 /nfs/dbraw/zinc/19/88/96/946198896.db2.gz YKOJEMDKUWCLDJ-PWSUYJOCSA-N -1 3 390.423 0.258 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001571297864 946199675 /nfs/dbraw/zinc/19/96/75/946199675.db2.gz BSRSSUQKMOFWIJ-BYCMXARLSA-N -1 3 390.469 0.497 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001571297864 946199683 /nfs/dbraw/zinc/19/96/83/946199683.db2.gz BSRSSUQKMOFWIJ-BYCMXARLSA-N -1 3 390.469 0.497 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573482679 946201421 /nfs/dbraw/zinc/20/14/21/946201421.db2.gz ZTQLLJYXMCCZQZ-RKDXNWHRSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573482679 946201432 /nfs/dbraw/zinc/20/14/32/946201432.db2.gz ZTQLLJYXMCCZQZ-RKDXNWHRSA-N -1 3 380.840 0.746 20 0 GCADHM Cc1nsc(N2CCC(NC(=O)[C@]3(C)CCC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571297947 946202272 /nfs/dbraw/zinc/20/22/72/946202272.db2.gz FHBSXDXIMHDGGS-INIZCTEOSA-N -1 3 390.473 0.385 20 0 GCADHM Cc1nsc(N2CC[C@](C)(NC(=O)[C@@H]3CCNC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571298021 946203039 /nfs/dbraw/zinc/20/30/39/946203039.db2.gz HKKABUWSQFKTKA-HWPZZCPQSA-N -1 3 390.473 0.243 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)CN3CCCC3=O)[C@@H]2C)c1-c1nnn[n-]1 ZINC001571298109 946206682 /nfs/dbraw/zinc/20/66/82/946206682.db2.gz JTAWOEMJYBQLPW-GHMZBOCLSA-N -1 3 390.473 0.655 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001573483616 946208624 /nfs/dbraw/zinc/20/86/24/946208624.db2.gz GDJYDKYDUSDMIR-HLUHBDAQSA-N -1 3 392.489 0.345 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000822886044 946211437 /nfs/dbraw/zinc/21/14/37/946211437.db2.gz ZIWYJZCLRIWMFR-UHFFFAOYSA-N -1 3 393.816 0.493 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000822886044 946211450 /nfs/dbraw/zinc/21/14/50/946211450.db2.gz ZIWYJZCLRIWMFR-UHFFFAOYSA-N -1 3 393.816 0.493 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573483679 946212417 /nfs/dbraw/zinc/21/24/17/946212417.db2.gz GWIVCMOFKWSIBM-QMTHXVAHSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573483679 946212427 /nfs/dbraw/zinc/21/24/27/946212427.db2.gz GWIVCMOFKWSIBM-QMTHXVAHSA-N -1 3 392.439 0.868 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571298616 946221182 /nfs/dbraw/zinc/22/11/82/946221182.db2.gz BOASZMVXXPKVQS-DBIOUOCHSA-N -1 3 390.835 0.486 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571298616 946221189 /nfs/dbraw/zinc/22/11/89/946221189.db2.gz BOASZMVXXPKVQS-DBIOUOCHSA-N -1 3 390.835 0.486 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573485019 946225299 /nfs/dbraw/zinc/22/52/99/946225299.db2.gz PIPIHVRDEQXWAF-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573485019 946225312 /nfs/dbraw/zinc/22/53/12/946225312.db2.gz PIPIHVRDEQXWAF-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1C ZINC001573485533 946228819 /nfs/dbraw/zinc/22/88/19/946228819.db2.gz UWEALYFDWRBNOH-MPKXVKKWSA-N -1 3 386.460 0.283 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1C ZINC001573485533 946228832 /nfs/dbraw/zinc/22/88/32/946228832.db2.gz UWEALYFDWRBNOH-MPKXVKKWSA-N -1 3 386.460 0.283 20 0 GCADHM Cc1nsc(N2C[C@@H](NC(=O)[C@H]3CCC(=O)N3)C(C)(C)C2)c1-c1nnn[n-]1 ZINC001571298915 946231936 /nfs/dbraw/zinc/23/19/36/946231936.db2.gz RTINOVWZDKABSL-NXEZZACHSA-N -1 3 390.473 0.241 20 0 GCADHM Cc1nsc(N2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C(C)(C)C2)c1-c1nnn[n-]1 ZINC001571298922 946233384 /nfs/dbraw/zinc/23/33/84/946233384.db2.gz RTINOVWZDKABSL-UWVGGRQHSA-N -1 3 390.473 0.241 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)s1)C1=COCCC1 ZINC001571299257 946244179 /nfs/dbraw/zinc/24/41/79/946244179.db2.gz VHUWMQKKSJMIMT-CYBMUJFWSA-N -1 3 390.469 0.940 20 0 GCADHM Cc1nsc(N2CC[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571299284 946245453 /nfs/dbraw/zinc/24/54/53/946245453.db2.gz VKPGLIZHFOIJLE-QWRGUYRKSA-N -1 3 390.473 0.100 20 0 GCADHM O=C(CN1CCCC1=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571299388 946248732 /nfs/dbraw/zinc/24/87/32/946248732.db2.gz MEHWNKLJOWFSKA-PHIMTYICSA-N -1 3 390.835 0.597 20 0 GCADHM O=C(CN1CCCC1=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571299388 946248741 /nfs/dbraw/zinc/24/87/41/946248741.db2.gz MEHWNKLJOWFSKA-PHIMTYICSA-N -1 3 390.835 0.597 20 0 GCADHM Cc1nsc(N2CC[C@@H](CNC(=O)[C@H]3CC(=O)N(C)C3)C2)c1-c1nnn[n-]1 ZINC001571299542 946253022 /nfs/dbraw/zinc/25/30/22/946253022.db2.gz WSLJOIPATNXCSN-QWRGUYRKSA-N -1 3 390.473 0.052 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1F ZINC001573487494 946254047 /nfs/dbraw/zinc/25/40/47/946254047.db2.gz PENNRKMRLZMRIH-BLJJELEKSA-N -1 3 388.407 0.151 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1F ZINC001573487494 946254054 /nfs/dbraw/zinc/25/40/54/946254054.db2.gz PENNRKMRLZMRIH-BLJJELEKSA-N -1 3 388.407 0.151 20 0 GCADHM Cc1nsc(NC2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571299569 946254310 /nfs/dbraw/zinc/25/43/10/946254310.db2.gz XIXNKWGLXVOICU-VQXHTEKXSA-N -1 3 390.473 0.750 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)[C@@H]1C ZINC001573487933 946260961 /nfs/dbraw/zinc/26/09/61/946260961.db2.gz VKMKTTGOZYMUJE-KKZNHRDASA-N -1 3 378.462 0.240 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573488042 946261484 /nfs/dbraw/zinc/26/14/84/946261484.db2.gz XABDIXOAURUOPQ-FBIMIBRVSA-N -1 3 378.462 0.463 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823009262 946264726 /nfs/dbraw/zinc/26/47/26/946264726.db2.gz BHVNLIODCJPHMV-GJZGRUSLSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1Cl)c1cocn1 ZINC001571299902 946267667 /nfs/dbraw/zinc/26/76/67/946267667.db2.gz QMOWKAPBTUJPBQ-SNVBAGLBSA-N -1 3 390.791 0.538 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1Cl)c1cocn1 ZINC001571299902 946267676 /nfs/dbraw/zinc/26/76/76/946267676.db2.gz QMOWKAPBTUJPBQ-SNVBAGLBSA-N -1 3 390.791 0.538 20 0 GCADHM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC001573488599 946269248 /nfs/dbraw/zinc/26/92/48/946269248.db2.gz FGWXDDQVXZNMDD-AWEZNQCLSA-N -1 3 379.384 0.514 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCC1 ZINC001573488673 946272370 /nfs/dbraw/zinc/27/23/70/946272370.db2.gz IIOIZQQASJXRBX-BETUJISGSA-N -1 3 384.444 0.770 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCC1 ZINC001573488673 946272379 /nfs/dbraw/zinc/27/23/79/946272379.db2.gz IIOIZQQASJXRBX-BETUJISGSA-N -1 3 384.444 0.770 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCN(C)c2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573488870 946279972 /nfs/dbraw/zinc/27/99/72/946279972.db2.gz ONOQXGZMHVNNHA-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCN(C)c2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573488870 946279985 /nfs/dbraw/zinc/27/99/85/946279985.db2.gz ONOQXGZMHVNNHA-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)Nc1cc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)ccc1F ZINC001571301731 946281022 /nfs/dbraw/zinc/28/10/22/946281022.db2.gz BKDQIXFTWKCPIR-UHFFFAOYSA-N -1 3 391.388 0.838 20 0 GCADHM CC(=O)Nc1cc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)ccc1F ZINC001571301731 946281034 /nfs/dbraw/zinc/28/10/34/946281034.db2.gz BKDQIXFTWKCPIR-UHFFFAOYSA-N -1 3 391.388 0.838 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCCC1 ZINC001573489001 946281929 /nfs/dbraw/zinc/28/19/29/946281929.db2.gz UBKZMVQELCMDGV-CYBMUJFWSA-N -1 3 384.444 0.406 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCCC1 ZINC001573489001 946281943 /nfs/dbraw/zinc/28/19/43/946281943.db2.gz UBKZMVQELCMDGV-CYBMUJFWSA-N -1 3 384.444 0.406 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C(F)F ZINC001571301757 946282841 /nfs/dbraw/zinc/28/28/41/946282841.db2.gz CBSHXUBLGAOHKB-SECBINFHSA-N -1 3 391.342 0.431 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C(F)F ZINC001571301757 946282847 /nfs/dbraw/zinc/28/28/47/946282847.db2.gz CBSHXUBLGAOHKB-SECBINFHSA-N -1 3 391.342 0.431 20 0 GCADHM Cc1nc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)oc1C ZINC001571301769 946283194 /nfs/dbraw/zinc/28/31/94/946283194.db2.gz CQKJRVGVDWVRET-SECBINFHSA-N -1 3 391.413 0.777 20 0 GCADHM Cc1nc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)oc1C ZINC001571301769 946283205 /nfs/dbraw/zinc/28/32/05/946283205.db2.gz CQKJRVGVDWVRET-SECBINFHSA-N -1 3 391.413 0.777 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573489095 946284413 /nfs/dbraw/zinc/28/44/13/946284413.db2.gz XEXHPGOUVJCYET-JTQLQIEISA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573489095 946284422 /nfs/dbraw/zinc/28/44/22/946284422.db2.gz XEXHPGOUVJCYET-JTQLQIEISA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCCC1 ZINC001573489075 946284583 /nfs/dbraw/zinc/28/45/83/946284583.db2.gz WSVJTDXBNABEMH-AWEZNQCLSA-N -1 3 384.444 0.406 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCCC1 ZINC001573489075 946284590 /nfs/dbraw/zinc/28/45/90/946284590.db2.gz WSVJTDXBNABEMH-AWEZNQCLSA-N -1 3 384.444 0.406 20 0 GCADHM O=C(c1n[nH]cc1F)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571301884 946285224 /nfs/dbraw/zinc/28/52/24/946285224.db2.gz GRWGDGHPQDDHMK-SECBINFHSA-N -1 3 391.342 0.216 20 0 GCADHM O=C(c1n[nH]cc1F)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571301884 946285232 /nfs/dbraw/zinc/28/52/32/946285232.db2.gz GRWGDGHPQDDHMK-SECBINFHSA-N -1 3 391.342 0.216 20 0 GCADHM O=C(c1ccnc2c1CC(=O)N2)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571301886 946285413 /nfs/dbraw/zinc/28/54/13/946285413.db2.gz GSQNTLHTXCVPBX-UHFFFAOYSA-N -1 3 391.395 0.114 20 0 GCADHM O=C(c1ccnc2c1CC(=O)N2)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571301886 946285422 /nfs/dbraw/zinc/28/54/22/946285422.db2.gz GSQNTLHTXCVPBX-UHFFFAOYSA-N -1 3 391.395 0.114 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)C2(F)CCOCC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571301909 946287632 /nfs/dbraw/zinc/28/76/32/946287632.db2.gz HNPTZZFTIUWCBL-PHIMTYICSA-N -1 3 391.407 0.338 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)C2(F)CCOCC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571301909 946287640 /nfs/dbraw/zinc/28/76/40/946287640.db2.gz HNPTZZFTIUWCBL-PHIMTYICSA-N -1 3 391.407 0.338 20 0 GCADHM CC(=O)c1cnccc1NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571301954 946287837 /nfs/dbraw/zinc/28/78/37/946287837.db2.gz IYAGSUMRXPMKAF-ZDUSSCGKSA-N -1 3 391.391 0.878 20 0 GCADHM CC(=O)c1cnccc1NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571301954 946287845 /nfs/dbraw/zinc/28/78/45/946287845.db2.gz IYAGSUMRXPMKAF-ZDUSSCGKSA-N -1 3 391.391 0.878 20 0 GCADHM O=C([C@H]1CCOC1)N1CCCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571301983 946289204 /nfs/dbraw/zinc/28/92/04/946289204.db2.gz KOTNJPKEARIUQM-AAEUAGOBSA-N -1 3 391.407 0.467 20 0 GCADHM O=C([C@H]1CCOC1)N1CCCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571301983 946289213 /nfs/dbraw/zinc/28/92/13/946289213.db2.gz KOTNJPKEARIUQM-AAEUAGOBSA-N -1 3 391.407 0.467 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000823037546 946289378 /nfs/dbraw/zinc/28/93/78/946289378.db2.gz ZWLBOMWRAVMCER-HNNXBMFYSA-N -1 3 386.412 0.142 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)F)C1 ZINC001571302006 946290178 /nfs/dbraw/zinc/29/01/78/946290178.db2.gz LEAHYIAQIFPTDC-YVNDNENWSA-N -1 3 391.382 0.769 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)F)C1 ZINC001571302006 946290189 /nfs/dbraw/zinc/29/01/89/946290189.db2.gz LEAHYIAQIFPTDC-YVNDNENWSA-N -1 3 391.382 0.769 20 0 GCADHM CC(=O)NC1CCC(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573491810 946290523 /nfs/dbraw/zinc/29/05/23/946290523.db2.gz ANKNGLBBOMPCAO-XGNXJENSSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC1CCC(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573491810 946290532 /nfs/dbraw/zinc/29/05/32/946290532.db2.gz ANKNGLBBOMPCAO-XGNXJENSSA-N -1 3 386.460 0.873 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)F ZINC001571302004 946290578 /nfs/dbraw/zinc/29/05/78/946290578.db2.gz LEAHYIAQIFPTDC-WTBMIXGQSA-N -1 3 391.382 0.769 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)F ZINC001571302004 946290583 /nfs/dbraw/zinc/29/05/83/946290583.db2.gz LEAHYIAQIFPTDC-WTBMIXGQSA-N -1 3 391.382 0.769 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(Cc3nc(C(F)F)no3)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571302124 946291815 /nfs/dbraw/zinc/29/18/15/946291815.db2.gz PDZRYLCLEPFRND-VROVMSAKSA-N -1 3 391.342 0.376 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(Cc3nc(C(F)F)no3)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571302124 946291817 /nfs/dbraw/zinc/29/18/17/946291817.db2.gz PDZRYLCLEPFRND-VROVMSAKSA-N -1 3 391.342 0.376 20 0 GCADHM C[C@]12CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]1CN(C(=O)[C@H]1CC1(F)F)C2 ZINC001571302196 946294560 /nfs/dbraw/zinc/29/45/60/946294560.db2.gz RBBOSQOUYPUFSW-LYGAQUJYSA-N -1 3 391.382 0.771 20 0 GCADHM C[C@]12CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]1CN(C(=O)[C@H]1CC1(F)F)C2 ZINC001571302196 946294574 /nfs/dbraw/zinc/29/45/74/946294574.db2.gz RBBOSQOUYPUFSW-LYGAQUJYSA-N -1 3 391.382 0.771 20 0 GCADHM CC(=O)NC1CCC(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573493482 946296775 /nfs/dbraw/zinc/29/67/75/946296775.db2.gz IHIAPTUYVATDQX-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC1CCC(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573493482 946296782 /nfs/dbraw/zinc/29/67/82/946296782.db2.gz IHIAPTUYVATDQX-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC1CCC(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573493479 946296966 /nfs/dbraw/zinc/29/69/66/946296966.db2.gz IGZSVTGDUMKUDL-ZOODHJKOSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC1CCC(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573493479 946296976 /nfs/dbraw/zinc/29/69/76/946296976.db2.gz IGZSVTGDUMKUDL-ZOODHJKOSA-N -1 3 386.460 0.873 20 0 GCADHM Cc1cnc(S(C)(=O)=O)nc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001571302285 946297307 /nfs/dbraw/zinc/29/73/07/946297307.db2.gz UBKAVDAJLXFCJC-UHFFFAOYSA-N -1 3 391.388 0.438 20 0 GCADHM Cc1cnc(S(C)(=O)=O)nc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001571302285 946297317 /nfs/dbraw/zinc/29/73/17/946297317.db2.gz UBKAVDAJLXFCJC-UHFFFAOYSA-N -1 3 391.388 0.438 20 0 GCADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC1(c2ncon2)CC1 ZINC001571302408 946301893 /nfs/dbraw/zinc/30/18/93/946301893.db2.gz WUIZUNSINLLHGM-UHFFFAOYSA-N -1 3 391.369 0.004 20 0 GCADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC1(c2ncon2)CC1 ZINC001571302408 946301902 /nfs/dbraw/zinc/30/19/02/946301902.db2.gz WUIZUNSINLLHGM-UHFFFAOYSA-N -1 3 391.369 0.004 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCC1(F)F)c1cnon1 ZINC001571302406 946302233 /nfs/dbraw/zinc/30/22/33/946302233.db2.gz WUGJHAMXTPAWSA-SECBINFHSA-N -1 3 391.342 0.536 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCC1(F)F)c1cnon1 ZINC001571302406 946302247 /nfs/dbraw/zinc/30/22/47/946302247.db2.gz WUGJHAMXTPAWSA-SECBINFHSA-N -1 3 391.342 0.536 20 0 GCADHM O=C([C@H]1CCCCO1)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571302495 946305322 /nfs/dbraw/zinc/30/53/22/946305322.db2.gz ZEDSXYWYKMKFQO-TZMCWYRMSA-N -1 3 391.407 0.609 20 0 GCADHM O=C([C@H]1CCCCO1)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571302495 946305332 /nfs/dbraw/zinc/30/53/32/946305332.db2.gz ZEDSXYWYKMKFQO-TZMCWYRMSA-N -1 3 391.407 0.609 20 0 GCADHM CC(=O)N[C@H]1CC2(CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)n2ccnc21 ZINC001573495533 946312448 /nfs/dbraw/zinc/31/24/48/946312448.db2.gz RPZRPTAQHOZRCM-HNNXBMFYSA-N -1 3 382.403 0.994 20 0 GCADHM CC(=O)N[C@H]1CC2(CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)n2ccnc21 ZINC001573495533 946312461 /nfs/dbraw/zinc/31/24/61/946312461.db2.gz RPZRPTAQHOZRCM-HNNXBMFYSA-N -1 3 382.403 0.994 20 0 GCADHM CC(=O)NC1CCC(C(=O)N2CC(=O)Nc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC001573496195 946322273 /nfs/dbraw/zinc/32/22/73/946322273.db2.gz WURKJABNBGWEBK-UHFFFAOYSA-N -1 3 383.412 0.847 20 0 GCADHM CC(=O)NC1CCC(C(=O)N2CC(=O)Nc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC001573496195 946322284 /nfs/dbraw/zinc/32/22/84/946322284.db2.gz WURKJABNBGWEBK-UHFFFAOYSA-N -1 3 383.412 0.847 20 0 GCADHM O=C([C@H]1CCn2ccnc2C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571303047 946322955 /nfs/dbraw/zinc/32/29/55/946322955.db2.gz JZLQPHCWWQGRKO-QEJZJMRPSA-N -1 3 391.439 0.510 20 0 GCADHM O=C([C@H]1CCn2ccnc2C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571303047 946322968 /nfs/dbraw/zinc/32/29/68/946322968.db2.gz JZLQPHCWWQGRKO-QEJZJMRPSA-N -1 3 391.439 0.510 20 0 GCADHM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccccc1CN1CCSCC1 ZINC000823136186 946325321 /nfs/dbraw/zinc/32/53/21/946325321.db2.gz NRXMDHKUDFWHAF-UHFFFAOYSA-N -1 3 385.457 0.646 20 0 GCADHM Cc1nccc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)n1 ZINC001571303118 946325487 /nfs/dbraw/zinc/32/54/87/946325487.db2.gz MBZVCZLOPCCCSA-GJZGRUSLSA-N -1 3 391.439 0.782 20 0 GCADHM Cc1nccc(CCC(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)n1 ZINC001571303118 946325498 /nfs/dbraw/zinc/32/54/98/946325498.db2.gz MBZVCZLOPCCCSA-GJZGRUSLSA-N -1 3 391.439 0.782 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823144597 946329993 /nfs/dbraw/zinc/32/99/93/946329993.db2.gz JSIASJLGIPAPND-CYBMUJFWSA-N -1 3 396.455 0.462 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823144597 946330006 /nfs/dbraw/zinc/33/00/06/946330006.db2.gz JSIASJLGIPAPND-CYBMUJFWSA-N -1 3 396.455 0.462 20 0 GCADHM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823150224 946332223 /nfs/dbraw/zinc/33/22/23/946332223.db2.gz MKVNRXMOHJCZFH-MRVPVSSYSA-N -1 3 389.725 0.808 20 0 GCADHM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823150224 946332233 /nfs/dbraw/zinc/33/22/33/946332233.db2.gz MKVNRXMOHJCZFH-MRVPVSSYSA-N -1 3 389.725 0.808 20 0 GCADHM O=C(N[C@@H]1C=C[C@H](CO)C1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823154472 946332487 /nfs/dbraw/zinc/33/24/87/946332487.db2.gz CHUFIUCQMCXXOW-SWLSCSKDSA-N -1 3 384.444 0.467 20 0 GCADHM O=C(N[C@@H]1C=C[C@H](CO)C1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823154472 946332499 /nfs/dbraw/zinc/33/24/99/946332499.db2.gz CHUFIUCQMCXXOW-SWLSCSKDSA-N -1 3 384.444 0.467 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(-c2nnn[n-]2)cs1 ZINC000823166724 946334916 /nfs/dbraw/zinc/33/49/16/946334916.db2.gz OBDGNPARCLPBNH-SNVBAGLBSA-N -1 3 389.393 0.827 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1cc(-c2nn[n-]n2)cs1 ZINC000823166724 946334927 /nfs/dbraw/zinc/33/49/27/946334927.db2.gz OBDGNPARCLPBNH-SNVBAGLBSA-N -1 3 389.393 0.827 20 0 GCADHM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573498896 946364597 /nfs/dbraw/zinc/36/45/97/946364597.db2.gz AHZSOBJURQKWPU-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(=O)N(C)CC[C@@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573498896 946364605 /nfs/dbraw/zinc/36/46/05/946364605.db2.gz AHZSOBJURQKWPU-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573499488 946366683 /nfs/dbraw/zinc/36/66/83/946366683.db2.gz DRHNUCBITOHJGB-PWSUYJOCSA-N -1 3 375.408 0.648 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573499488 946366692 /nfs/dbraw/zinc/36/66/92/946366692.db2.gz DRHNUCBITOHJGB-PWSUYJOCSA-N -1 3 375.408 0.648 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571305520 946367740 /nfs/dbraw/zinc/36/77/40/946367740.db2.gz CWHLFWUDDHIECL-ZJUUUORDSA-N -1 3 391.775 0.057 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571305520 946367751 /nfs/dbraw/zinc/36/77/51/946367751.db2.gz CWHLFWUDDHIECL-ZJUUUORDSA-N -1 3 391.775 0.057 20 0 GCADHM CC(=O)NCC(=O)N(C)CC(C)(C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573499955 946371034 /nfs/dbraw/zinc/37/10/34/946371034.db2.gz HMSCQOYAWVMVLV-UHFFFAOYSA-N -1 3 378.412 0.433 20 0 GCADHM CC(=O)NCC(=O)N(C)CC(C)(C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573499955 946371047 /nfs/dbraw/zinc/37/10/47/946371047.db2.gz HMSCQOYAWVMVLV-UHFFFAOYSA-N -1 3 378.412 0.433 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573500470 946373947 /nfs/dbraw/zinc/37/39/47/946373947.db2.gz KHUOSLWJFKFRSW-ZDUSSCGKSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573500470 946373956 /nfs/dbraw/zinc/37/39/56/946373956.db2.gz KHUOSLWJFKFRSW-ZDUSSCGKSA-N -1 3 375.408 0.175 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571305798 946375385 /nfs/dbraw/zinc/37/53/85/946375385.db2.gz CYVGHNFSHFESTF-LMLFDSFASA-N -1 3 391.457 0.747 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573500938 946377290 /nfs/dbraw/zinc/37/72/90/946377290.db2.gz LTSMABHFHQPYLE-CYBMUJFWSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573500938 946377294 /nfs/dbraw/zinc/37/72/94/946377294.db2.gz LTSMABHFHQPYLE-CYBMUJFWSA-N -1 3 375.408 0.175 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001571305936 946380782 /nfs/dbraw/zinc/38/07/82/946380782.db2.gz DXNKDPDSSYRWAP-GLKRBJQHSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001571305936 946380793 /nfs/dbraw/zinc/38/07/93/946380793.db2.gz DXNKDPDSSYRWAP-GLKRBJQHSA-N -1 3 391.457 0.288 20 0 GCADHM COC(=O)[C@]12C[C@H]1CCCN2CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571305984 946382218 /nfs/dbraw/zinc/38/22/18/946382218.db2.gz FXJLHEOACLFKPJ-DYVFJYSZSA-N -1 3 391.453 0.668 20 0 GCADHM COC(=O)[C@]12C[C@H]1CCCN2CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571305984 946382229 /nfs/dbraw/zinc/38/22/29/946382229.db2.gz FXJLHEOACLFKPJ-DYVFJYSZSA-N -1 3 391.453 0.668 20 0 GCADHM COC(=O)C1=NO[C@]2(CCN(C(=O)c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571306142 946388592 /nfs/dbraw/zinc/38/85/92/946388592.db2.gz QCCXMSXACTUAIL-OAHLLOKOSA-N -1 3 391.775 0.449 20 0 GCADHM COC(=O)C1=NO[C@]2(CCN(C(=O)c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571306142 946388604 /nfs/dbraw/zinc/38/86/04/946388604.db2.gz QCCXMSXACTUAIL-OAHLLOKOSA-N -1 3 391.775 0.449 20 0 GCADHM CC[C@@H](NC(C)=O)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCN(C(C)=O)C2 ZINC001571306147 946388652 /nfs/dbraw/zinc/38/86/52/946388652.db2.gz HTMDWBBXWIQQOT-LLVKDONJSA-N -1 3 391.457 0.686 20 0 GCADHM CC[C@@H](NC(C)=O)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCN(C(C)=O)C2 ZINC001571306147 946388664 /nfs/dbraw/zinc/38/86/64/946388664.db2.gz HTMDWBBXWIQQOT-LLVKDONJSA-N -1 3 391.457 0.686 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573503542 946389560 /nfs/dbraw/zinc/38/95/60/946389560.db2.gz AAXJIUKESDGHFG-SMDDNHRTSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573503542 946389571 /nfs/dbraw/zinc/38/95/71/946389571.db2.gz AAXJIUKESDGHFG-SMDDNHRTSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@](C)(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573503554 946393897 /nfs/dbraw/zinc/39/38/97/946393897.db2.gz AEMRIGAZGCNUJX-MRXNPFEDSA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@](C)(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573503554 946393909 /nfs/dbraw/zinc/39/39/09/946393909.db2.gz AEMRIGAZGCNUJX-MRXNPFEDSA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573503700 946396730 /nfs/dbraw/zinc/39/67/30/946396730.db2.gz BFCXDUMPEYWYTA-HUUCEWRRSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573503700 946396743 /nfs/dbraw/zinc/39/67/43/946396743.db2.gz BFCXDUMPEYWYTA-HUUCEWRRSA-N -1 3 384.444 0.276 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCCCS1(=O)=O ZINC001571306404 946400120 /nfs/dbraw/zinc/40/01/20/946400120.db2.gz JWEFIRPPPGNWSQ-YRGRVCCFSA-N -1 3 391.457 0.288 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCCCS1(=O)=O ZINC001571306404 946400128 /nfs/dbraw/zinc/40/01/28/946400128.db2.gz JWEFIRPPPGNWSQ-YRGRVCCFSA-N -1 3 391.457 0.288 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573503973 946402048 /nfs/dbraw/zinc/40/20/48/946402048.db2.gz COVQFHMIIHEDHL-LBPRGKRZSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573503973 946402054 /nfs/dbraw/zinc/40/20/54/946402054.db2.gz COVQFHMIIHEDHL-LBPRGKRZSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573503996 946403679 /nfs/dbraw/zinc/40/36/79/946403679.db2.gz DCSJACXJIIUAAV-IUODEOHRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573503996 946403689 /nfs/dbraw/zinc/40/36/89/946403689.db2.gz DCSJACXJIIUAAV-IUODEOHRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573504081 946405830 /nfs/dbraw/zinc/40/58/30/946405830.db2.gz FUTKHTTYDCTMNX-JQWIXIFHSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573504081 946405832 /nfs/dbraw/zinc/40/58/32/946405832.db2.gz FUTKHTTYDCTMNX-JQWIXIFHSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CCC([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573504127 946406048 /nfs/dbraw/zinc/40/60/48/946406048.db2.gz GDJCBEKTLMCBJS-JTQLQIEISA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CCC([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573504127 946406050 /nfs/dbraw/zinc/40/60/50/946406050.db2.gz GDJCBEKTLMCBJS-JTQLQIEISA-N -1 3 390.423 0.576 20 0 GCADHM Cc1nsc(NCC2CC(NC(=O)C[C@@H]3COC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571306705 946407606 /nfs/dbraw/zinc/40/76/06/946407606.db2.gz NHCLZWGCDHGASB-YVNMAJEFSA-N -1 3 391.457 0.892 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573504182 946408398 /nfs/dbraw/zinc/40/83/98/946408398.db2.gz FQUOFTFEFCUMNB-OCCSQVGLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573504182 946408399 /nfs/dbraw/zinc/40/83/99/946408399.db2.gz FQUOFTFEFCUMNB-OCCSQVGLSA-N -1 3 386.460 0.745 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1-c1nnn[n-]1 ZINC001571306764 946409268 /nfs/dbraw/zinc/40/92/68/946409268.db2.gz PHRQUSOFBGYEAK-CMPLNLGQSA-N -1 3 391.457 0.421 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1-c1nn[n-]n1 ZINC001571306764 946409278 /nfs/dbraw/zinc/40/92/78/946409278.db2.gz PHRQUSOFBGYEAK-CMPLNLGQSA-N -1 3 391.457 0.421 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)ccc1-c1nnn[n-]1 ZINC001571306736 946409724 /nfs/dbraw/zinc/40/97/24/946409724.db2.gz OCIMSDMAKYGMQT-LOWVWBTDSA-N -1 3 391.457 0.206 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)ccc1-c1nn[n-]n1 ZINC001571306736 946409728 /nfs/dbraw/zinc/40/97/28/946409728.db2.gz OCIMSDMAKYGMQT-LOWVWBTDSA-N -1 3 391.457 0.206 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C)c2)C[C@H]1C1CC1 ZINC001571306788 946410139 /nfs/dbraw/zinc/41/01/39/946410139.db2.gz PYTRAKXVGNVPOU-LSDHHAIUSA-N -1 3 391.453 0.995 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C)c2)C[C@H]1C1CC1 ZINC001571306788 946410146 /nfs/dbraw/zinc/41/01/46/946410146.db2.gz PYTRAKXVGNVPOU-LSDHHAIUSA-N -1 3 391.453 0.995 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@]2(C1)CCCN(c1ncccc1-c1nnn[n-]1)C2 ZINC001573504286 946410386 /nfs/dbraw/zinc/41/03/86/946410386.db2.gz GMFGSCLGNYGYBF-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@]2(C1)CCCN(c1ncccc1-c1nn[n-]n1)C2 ZINC001573504286 946410394 /nfs/dbraw/zinc/41/03/94/946410394.db2.gz GMFGSCLGNYGYBF-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CC[C@H]21 ZINC001573504312 946410859 /nfs/dbraw/zinc/41/08/59/946410859.db2.gz GZNWSNAJTMAFMI-UKRRQHHQSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CC[C@H]21 ZINC001573504312 946410863 /nfs/dbraw/zinc/41/08/63/946410863.db2.gz GZNWSNAJTMAFMI-UKRRQHHQSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504336 946411146 /nfs/dbraw/zinc/41/11/46/946411146.db2.gz HFDRVYWNCKWOKK-CMPLNLGQSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504336 946411153 /nfs/dbraw/zinc/41/11/53/946411153.db2.gz HFDRVYWNCKWOKK-CMPLNLGQSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571306810 946412199 /nfs/dbraw/zinc/41/21/99/946412199.db2.gz QQBOVVVDMLUXEW-PWSUYJOCSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571306810 946412205 /nfs/dbraw/zinc/41/22/05/946412205.db2.gz QQBOVVVDMLUXEW-PWSUYJOCSA-N -1 3 391.457 0.098 20 0 GCADHM O=C([C@@H]1CCCS1(=O)=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571307170 946418430 /nfs/dbraw/zinc/41/84/30/946418430.db2.gz YTKROUPKBDRQIS-STQMWFEESA-N -1 3 391.457 0.242 20 0 GCADHM O=C([C@@H]1CCCS1(=O)=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571307170 946418436 /nfs/dbraw/zinc/41/84/36/946418436.db2.gz YTKROUPKBDRQIS-STQMWFEESA-N -1 3 391.457 0.242 20 0 GCADHM O=S(=O)(C[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1cncc(-c2nnn[n-]2)c1 ZINC001571307226 946420925 /nfs/dbraw/zinc/42/09/25/946420925.db2.gz ACMOCTHQJVWUNJ-MNOVXSKESA-N -1 3 392.363 0.791 20 0 GCADHM O=S(=O)(C[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1cncc(-c2nn[n-]n2)c1 ZINC001571307226 946420932 /nfs/dbraw/zinc/42/09/32/946420932.db2.gz ACMOCTHQJVWUNJ-MNOVXSKESA-N -1 3 392.363 0.791 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573505424 946421724 /nfs/dbraw/zinc/42/17/24/946421724.db2.gz NHAPRGGCDNUVCW-TXEJJXNPSA-N -1 3 375.458 0.240 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[n-]n2)s1 ZINC001573505424 946421727 /nfs/dbraw/zinc/42/17/27/946421727.db2.gz NHAPRGGCDNUVCW-TXEJJXNPSA-N -1 3 375.458 0.240 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573505489 946422186 /nfs/dbraw/zinc/42/21/86/946422186.db2.gz ODKBRLUPNYCPDE-JTQLQIEISA-N -1 3 378.824 0.312 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573505489 946422196 /nfs/dbraw/zinc/42/21/96/946422196.db2.gz ODKBRLUPNYCPDE-JTQLQIEISA-N -1 3 378.824 0.312 20 0 GCADHM O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001571307892 946427183 /nfs/dbraw/zinc/42/71/83/946427183.db2.gz JAIAYOSQUUOJTP-CYBMUJFWSA-N -1 3 392.366 0.655 20 0 GCADHM O=C(NC1CCN([C@@H]2CCOC2=O)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001571307892 946427191 /nfs/dbraw/zinc/42/71/91/946427191.db2.gz JAIAYOSQUUOJTP-CYBMUJFWSA-N -1 3 392.366 0.655 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@H](CCN2c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573506369 946433419 /nfs/dbraw/zinc/43/34/19/946433419.db2.gz QESPIMNBOOHGAN-HIFRSBDPSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@H](CCN2c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573506369 946433424 /nfs/dbraw/zinc/43/34/24/946433424.db2.gz QESPIMNBOOHGAN-HIFRSBDPSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@]2(CCN(c3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573506780 946438764 /nfs/dbraw/zinc/43/87/64/946438764.db2.gz UAMNHRZZVZEKLO-MRXNPFEDSA-N -1 3 390.473 0.197 20 0 GCADHM O=C1C[C@@H](O)CN1CN1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000823518925 946442475 /nfs/dbraw/zinc/44/24/75/946442475.db2.gz BTFKVHUYSJVXBS-CYBMUJFWSA-N -1 3 394.439 0.088 20 0 GCADHM O=C1C[C@@H](O)CN1CN1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000823518925 946442485 /nfs/dbraw/zinc/44/24/85/946442485.db2.gz BTFKVHUYSJVXBS-CYBMUJFWSA-N -1 3 394.439 0.088 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573507107 946443424 /nfs/dbraw/zinc/44/34/24/946443424.db2.gz UZRWCMKXGDROGS-KCJUWKMLSA-N -1 3 378.462 0.417 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571309525 946446470 /nfs/dbraw/zinc/44/64/70/946446470.db2.gz CKHCBOVVYWNOCL-FUKZOUPISA-N -1 3 392.423 0.981 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571309525 946446475 /nfs/dbraw/zinc/44/64/75/946446475.db2.gz CKHCBOVVYWNOCL-FUKZOUPISA-N -1 3 392.423 0.981 20 0 GCADHM CN(C(=O)c1cccc(C(N)=O)n1)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571309594 946449338 /nfs/dbraw/zinc/44/93/38/946449338.db2.gz FGZGBAMRICJAJR-UHFFFAOYSA-N -1 3 392.423 0.317 20 0 GCADHM CN(C(=O)c1cccc(C(N)=O)n1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571309594 946449347 /nfs/dbraw/zinc/44/93/47/946449347.db2.gz FGZGBAMRICJAJR-UHFFFAOYSA-N -1 3 392.423 0.317 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CCCCCO)CC1 ZINC000823599888 946451694 /nfs/dbraw/zinc/45/16/94/946451694.db2.gz ALOWAUIPPXRHFV-UHFFFAOYSA-N -1 3 380.474 0.336 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CCCCCO)CC1 ZINC000823599888 946451700 /nfs/dbraw/zinc/45/17/00/946451700.db2.gz ALOWAUIPPXRHFV-UHFFFAOYSA-N -1 3 380.474 0.336 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823613860 946452411 /nfs/dbraw/zinc/45/24/11/946452411.db2.gz KMCQZKYGHAXDSI-UONOGXRCSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823613860 946452419 /nfs/dbraw/zinc/45/24/19/946452419.db2.gz KMCQZKYGHAXDSI-UONOGXRCSA-N -1 3 397.482 0.597 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573508364 946455214 /nfs/dbraw/zinc/45/52/14/946455214.db2.gz ZUPOHGXYPVILJM-NOZJJQNGSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573508364 946455226 /nfs/dbraw/zinc/45/52/26/946455226.db2.gz ZUPOHGXYPVILJM-NOZJJQNGSA-N -1 3 376.396 0.186 20 0 GCADHM Cc1ccncc1C(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571309847 946455951 /nfs/dbraw/zinc/45/59/51/946455951.db2.gz MQPZNRUGHSHFLA-UHFFFAOYSA-N -1 3 392.423 0.887 20 0 GCADHM Cc1ccncc1C(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571309847 946455959 /nfs/dbraw/zinc/45/59/59/946455959.db2.gz MQPZNRUGHSHFLA-UHFFFAOYSA-N -1 3 392.423 0.887 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573508929 946456768 /nfs/dbraw/zinc/45/67/68/946456768.db2.gz BHNNIJCRPXFXKX-NSHDSACASA-N -1 3 378.824 0.454 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573508929 946456781 /nfs/dbraw/zinc/45/67/81/946456781.db2.gz BHNNIJCRPXFXKX-NSHDSACASA-N -1 3 378.824 0.454 20 0 GCADHM CC(=O)NCC(=O)N1CCCN(C(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC001573509281 946462914 /nfs/dbraw/zinc/46/29/14/946462914.db2.gz JPEMTCLEUNDKTE-UHFFFAOYSA-N -1 3 392.445 0.131 20 0 GCADHM CC(=O)NCC(=O)N1CCCN(C(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC001573509281 946462920 /nfs/dbraw/zinc/46/29/20/946462920.db2.gz JPEMTCLEUNDKTE-UHFFFAOYSA-N -1 3 392.445 0.131 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573510042 946468205 /nfs/dbraw/zinc/46/82/05/946468205.db2.gz WSBQTRUSRGJBJJ-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573510042 946468214 /nfs/dbraw/zinc/46/82/14/946468214.db2.gz WSBQTRUSRGJBJJ-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1snc(C)c1-c1nnn[n-]1)CC(C)C ZINC001573510301 946476784 /nfs/dbraw/zinc/47/67/84/946476784.db2.gz DSTPWJCRIDTDHZ-LLVKDONJSA-N -1 3 380.478 0.711 20 0 GCADHM Cc1nsc(N2CCC(C)(NC(=O)[C@@H]3COC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571310791 946479413 /nfs/dbraw/zinc/47/94/13/946479413.db2.gz NCPLRRLEZSMLBM-VIFPVBQESA-N -1 3 392.445 0.215 20 0 GCADHM Cc1nsc(N[C@@H]2CN(C(=O)[C@@H]3COC(=O)N3)CC2(C)C)c1-c1nnn[n-]1 ZINC001571311043 946482646 /nfs/dbraw/zinc/48/26/46/946482646.db2.gz QPFLPBXHYNOBBW-DTWKUNHWSA-N -1 3 392.445 0.389 20 0 GCADHM CC(=O)NCC(=O)N[C@@](C)(CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573511376 946485463 /nfs/dbraw/zinc/48/54/63/946485463.db2.gz PCRMJNLGUWEKAY-INIZCTEOSA-N -1 3 376.396 0.234 20 0 GCADHM CC(=O)NCC(=O)N[C@@](C)(CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573511376 946485465 /nfs/dbraw/zinc/48/54/65/946485465.db2.gz PCRMJNLGUWEKAY-INIZCTEOSA-N -1 3 376.396 0.234 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573511521 946486903 /nfs/dbraw/zinc/48/69/03/946486903.db2.gz BAXHLAVPXXZMGJ-MFKMUULPSA-N -1 3 392.851 0.748 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573511521 946486909 /nfs/dbraw/zinc/48/69/09/946486909.db2.gz BAXHLAVPXXZMGJ-MFKMUULPSA-N -1 3 392.851 0.748 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1(c2cccnc2)CC1 ZINC001571312367 946489576 /nfs/dbraw/zinc/48/95/76/946489576.db2.gz ATCNCUHMCXGVQB-ZDUSSCGKSA-N -1 3 392.423 0.652 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1(c2cccnc2)CC1 ZINC001571312367 946489583 /nfs/dbraw/zinc/48/95/83/946489583.db2.gz ATCNCUHMCXGVQB-ZDUSSCGKSA-N -1 3 392.423 0.652 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573511870 946491050 /nfs/dbraw/zinc/49/10/50/946491050.db2.gz ULEZVTLUDFWUPT-JTQLQIEISA-N -1 3 375.408 0.078 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573511854 946491385 /nfs/dbraw/zinc/49/13/85/946491385.db2.gz SZCLUEFSGFQGDO-CZUORRHYSA-N -1 3 387.419 0.175 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)C1(c2cccnc2)CC1 ZINC001571312398 946492285 /nfs/dbraw/zinc/49/22/85/946492285.db2.gz BSTGMARLBIUCFA-CABCVRRESA-N -1 3 392.423 0.054 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)C1(c2cccnc2)CC1 ZINC001571312398 946492288 /nfs/dbraw/zinc/49/22/88/946492288.db2.gz BSTGMARLBIUCFA-CABCVRRESA-N -1 3 392.423 0.054 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)CC(C)C ZINC001573512218 946496521 /nfs/dbraw/zinc/49/65/21/946496521.db2.gz WHKAHQRZJGWHIY-GFCCVEGCSA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)CC(C)C ZINC001573512218 946496527 /nfs/dbraw/zinc/49/65/27/946496527.db2.gz WHKAHQRZJGWHIY-GFCCVEGCSA-N -1 3 378.412 0.480 20 0 GCADHM O=C(NC[C@@H]1CNC(=O)C1)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001571312577 946496620 /nfs/dbraw/zinc/49/66/20/946496620.db2.gz HYHKUKSPTPUHAT-ZDUSSCGKSA-N -1 3 392.423 0.740 20 0 GCADHM O=C(NC[C@@H]1CNC(=O)C1)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001571312577 946496632 /nfs/dbraw/zinc/49/66/32/946496632.db2.gz HYHKUKSPTPUHAT-ZDUSSCGKSA-N -1 3 392.423 0.740 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](CNc2snc(C)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573512502 946499995 /nfs/dbraw/zinc/49/99/95/946499995.db2.gz XNYMCLSTWQDZMY-LDYMZIIASA-N -1 3 378.462 0.274 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512575 946500019 /nfs/dbraw/zinc/50/00/19/946500019.db2.gz YIGZPPNOEFPISX-YPMHNXCESA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512575 946500025 /nfs/dbraw/zinc/50/00/25/946500025.db2.gz YIGZPPNOEFPISX-YPMHNXCESA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC001573512874 946506300 /nfs/dbraw/zinc/50/63/00/946506300.db2.gz JCOBJEKHDDLTPM-UHFFFAOYSA-N -1 3 391.407 0.219 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC001573512874 946506315 /nfs/dbraw/zinc/50/63/15/946506315.db2.gz JCOBJEKHDDLTPM-UHFFFAOYSA-N -1 3 391.407 0.219 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573513360 946509773 /nfs/dbraw/zinc/50/97/73/946509773.db2.gz MVCJLGSHUXHCNK-QWRGUYRKSA-N -1 3 378.462 0.465 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573513293 946510797 /nfs/dbraw/zinc/51/07/97/946510797.db2.gz MIEJFAGEOMHKRV-RISCZKNCSA-N -1 3 389.435 0.611 20 0 GCADHM CN(C(=O)[C@H]1CCc2cncn2C1)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571313036 946511438 /nfs/dbraw/zinc/51/14/38/946511438.db2.gz IKEAYGBJESJUBO-INIZCTEOSA-N -1 3 392.467 0.968 20 0 GCADHM CC(=O)NCC(=O)N[C@]1(CNc2ncccc2-c2nnn[n-]2)CCCC[C@@H]1C ZINC001573514168 946521026 /nfs/dbraw/zinc/52/10/26/946521026.db2.gz UBINVMBVUHXWLJ-SGTLLEGYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@]1(CNc2ncccc2-c2nn[n-]n2)CCCC[C@@H]1C ZINC001573514168 946521031 /nfs/dbraw/zinc/52/10/31/946521031.db2.gz UBINVMBVUHXWLJ-SGTLLEGYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573514252 946522888 /nfs/dbraw/zinc/52/28/88/946522888.db2.gz VVERAQMIMSYXIH-AWEZNQCLSA-N -1 3 375.408 0.223 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001573514351 946526085 /nfs/dbraw/zinc/52/60/85/946526085.db2.gz XRJQPBDQTQLUBA-BFHYXJOUSA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001573514351 946526089 /nfs/dbraw/zinc/52/60/89/946526089.db2.gz XRJQPBDQTQLUBA-BFHYXJOUSA-N -1 3 384.444 0.119 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1(c2ccccn2)CC1 ZINC001571313559 946526331 /nfs/dbraw/zinc/52/63/31/946526331.db2.gz RPVJCVUBTRRMEY-CYBMUJFWSA-N -1 3 392.423 0.652 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1(c2ccccn2)CC1 ZINC001571313559 946526335 /nfs/dbraw/zinc/52/63/35/946526335.db2.gz RPVJCVUBTRRMEY-CYBMUJFWSA-N -1 3 392.423 0.652 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573514406 946527823 /nfs/dbraw/zinc/52/78/23/946527823.db2.gz YNIILVOTVKLSGJ-WDEREUQCSA-N -1 3 378.462 0.607 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573514404 946528191 /nfs/dbraw/zinc/52/81/91/946528191.db2.gz YNIILVOTVKLSGJ-QWRGUYRKSA-N -1 3 378.462 0.607 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573514574 946530538 /nfs/dbraw/zinc/53/05/38/946530538.db2.gz AFTFVDHHNLJFTD-CABZTGNLSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573514574 946530542 /nfs/dbraw/zinc/53/05/42/946530542.db2.gz AFTFVDHHNLJFTD-CABZTGNLSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573514797 946534389 /nfs/dbraw/zinc/53/43/89/946534389.db2.gz DIPKMTLZKQNDLR-UHFFFAOYSA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573514797 946534394 /nfs/dbraw/zinc/53/43/94/946534394.db2.gz DIPKMTLZKQNDLR-UHFFFAOYSA-N -1 3 378.824 0.136 20 0 GCADHM O=C(c1cc[nH]n1)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571313864 946534435 /nfs/dbraw/zinc/53/44/35/946534435.db2.gz WSALSUXEUXHQCC-OHTBPHCPSA-N -1 3 392.427 0.367 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823994297 946534520 /nfs/dbraw/zinc/53/45/20/946534520.db2.gz FIRKRNVRJJXSGT-HNNXBMFYSA-N -1 3 388.428 0.577 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823994297 946534525 /nfs/dbraw/zinc/53/45/25/946534525.db2.gz FIRKRNVRJJXSGT-HNNXBMFYSA-N -1 3 388.428 0.577 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1C ZINC001573514802 946535034 /nfs/dbraw/zinc/53/50/34/946535034.db2.gz DLBDWTXZHLCRDN-RNCFNFMXSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H]1C ZINC001573514802 946535047 /nfs/dbraw/zinc/53/50/47/946535047.db2.gz DLBDWTXZHLCRDN-RNCFNFMXSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@H]1C ZINC001573514804 946535350 /nfs/dbraw/zinc/53/53/50/946535350.db2.gz DLBDWTXZHLCRDN-ZANVPECISA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@H]1C ZINC001573514804 946535361 /nfs/dbraw/zinc/53/53/61/946535361.db2.gz DLBDWTXZHLCRDN-ZANVPECISA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000823994475 946536569 /nfs/dbraw/zinc/53/65/69/946536569.db2.gz IRRQEOTVZNMWRA-UHFFFAOYSA-N -1 3 389.807 0.963 20 0 GCADHM CC(=O)NCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000823994475 946536573 /nfs/dbraw/zinc/53/65/73/946536573.db2.gz IRRQEOTVZNMWRA-UHFFFAOYSA-N -1 3 389.807 0.963 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823994997 946538199 /nfs/dbraw/zinc/53/81/99/946538199.db2.gz WKTAGFCVXNWICE-HNNXBMFYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823994997 946538207 /nfs/dbraw/zinc/53/82/07/946538207.db2.gz WKTAGFCVXNWICE-HNNXBMFYSA-N -1 3 386.460 0.461 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1C[C@H]2CCN(C(=O)c3ccncc3)C[C@H]2C1 ZINC001571314019 946539082 /nfs/dbraw/zinc/53/90/82/946539082.db2.gz ZLYMUXLEVHVZGB-KGLIPLIRSA-N -1 3 392.423 0.824 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@H]2CCN(C(=O)c3ccncc3)C[C@H]2C1 ZINC001571314019 946539095 /nfs/dbraw/zinc/53/90/95/946539095.db2.gz ZLYMUXLEVHVZGB-KGLIPLIRSA-N -1 3 392.423 0.824 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@H](C)C1 ZINC001573515183 946540506 /nfs/dbraw/zinc/54/05/06/946540506.db2.gz IPWFFIYZQAXTHV-SKDRFNHKSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@H](C)C1 ZINC001573515183 946540513 /nfs/dbraw/zinc/54/05/13/946540513.db2.gz IPWFFIYZQAXTHV-SKDRFNHKSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)CC(C)(C)C1 ZINC001573515216 946541580 /nfs/dbraw/zinc/54/15/80/946541580.db2.gz JAARJHXHKTVHFX-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)CC(C)(C)C1 ZINC001573515216 946541587 /nfs/dbraw/zinc/54/15/87/946541587.db2.gz JAARJHXHKTVHFX-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NCC1(C)CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573516984 946563868 /nfs/dbraw/zinc/56/38/68/946563868.db2.gz BPNYYJRWUGLARB-UHFFFAOYSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NCC1(C)CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573516984 946563877 /nfs/dbraw/zinc/56/38/77/946563877.db2.gz BPNYYJRWUGLARB-UHFFFAOYSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573516976 946564977 /nfs/dbraw/zinc/56/49/77/946564977.db2.gz BFFKYJBJFQYKLA-GFCCVEGCSA-N -1 3 376.396 0.012 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573516976 946564988 /nfs/dbraw/zinc/56/49/88/946564988.db2.gz BFFKYJBJFQYKLA-GFCCVEGCSA-N -1 3 376.396 0.012 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573517365 946571911 /nfs/dbraw/zinc/57/19/11/946571911.db2.gz IRIBHUCJUICOMT-LLVKDONJSA-N -1 3 378.462 0.100 20 0 GCADHM Cc1cn2c(n1)C[C@H](C(=O)NC1CN(Cc3ccccc3-c3nnn[n-]3)C1)CC2 ZINC001571316364 946573494 /nfs/dbraw/zinc/57/34/94/946573494.db2.gz ATYUCVIXRKKCHE-CQSZACIVSA-N -1 3 392.467 0.935 20 0 GCADHM Cc1cn2c(n1)C[C@H](C(=O)NC1CN(Cc3ccccc3-c3nn[n-]n3)C1)CC2 ZINC001571316364 946573500 /nfs/dbraw/zinc/57/35/00/946573500.db2.gz ATYUCVIXRKKCHE-CQSZACIVSA-N -1 3 392.467 0.935 20 0 GCADHM CC(=O)NCC(=O)NCC1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573517626 946578897 /nfs/dbraw/zinc/57/88/97/946578897.db2.gz ONXUTPVNEJISTO-UHFFFAOYSA-N -1 3 378.462 0.100 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCCCC1 ZINC001573517747 946579293 /nfs/dbraw/zinc/57/92/93/946579293.db2.gz QMDJDVPRAVIFEJ-UHFFFAOYSA-N -1 3 386.460 0.937 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCCCC1 ZINC001573517747 946579305 /nfs/dbraw/zinc/57/93/05/946579305.db2.gz QMDJDVPRAVIFEJ-UHFFFAOYSA-N -1 3 386.460 0.937 20 0 GCADHM CC(=O)NCC(=O)NCC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573518021 946584635 /nfs/dbraw/zinc/58/46/35/946584635.db2.gz VZFKLUIPXFLKAV-UHFFFAOYSA-N -1 3 375.408 0.475 20 0 GCADHM CC(=O)NCC(=O)NCC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573518021 946584641 /nfs/dbraw/zinc/58/46/41/946584641.db2.gz VZFKLUIPXFLKAV-UHFFFAOYSA-N -1 3 375.408 0.475 20 0 GCADHM CC(=O)NCC(=O)NCCN(Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573520593 946598614 /nfs/dbraw/zinc/59/86/14/946598614.db2.gz LSMCEJIRVQHFGS-UHFFFAOYSA-N -1 3 375.408 0.223 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001573520605 946599421 /nfs/dbraw/zinc/59/94/21/946599421.db2.gz MAAPYTMGWQMGTN-BTTYYORXSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001573520605 946599431 /nfs/dbraw/zinc/59/94/31/946599431.db2.gz MAAPYTMGWQMGTN-BTTYYORXSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)NCC(=O)NCC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573520887 946602263 /nfs/dbraw/zinc/60/22/63/946602263.db2.gz OUCXMWWZQPICOT-LBPRGKRZSA-N -1 3 375.408 0.475 20 0 GCADHM CC(=O)NCC(=O)NCC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573520887 946602267 /nfs/dbraw/zinc/60/22/67/946602267.db2.gz OUCXMWWZQPICOT-LBPRGKRZSA-N -1 3 375.408 0.475 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573521153 946604710 /nfs/dbraw/zinc/60/47/10/946604710.db2.gz SNGHEIYGURFCJW-HDJSIYSDSA-N -1 3 386.460 0.732 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573521153 946604713 /nfs/dbraw/zinc/60/47/13/946604713.db2.gz SNGHEIYGURFCJW-HDJSIYSDSA-N -1 3 386.460 0.732 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@H]1CCCOC1 ZINC001571317338 946607102 /nfs/dbraw/zinc/60/71/02/946607102.db2.gz DGSFXMZQFCMGQR-STQMWFEESA-N -1 3 392.485 0.672 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1C ZINC001573521576 946609354 /nfs/dbraw/zinc/60/93/54/946609354.db2.gz ZPAJHRIEHGHBBX-BXKDBHETSA-N -1 3 392.851 0.240 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1C ZINC001573521576 946609358 /nfs/dbraw/zinc/60/93/58/946609358.db2.gz ZPAJHRIEHGHBBX-BXKDBHETSA-N -1 3 392.851 0.240 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573521697 946610068 /nfs/dbraw/zinc/61/00/68/946610068.db2.gz BBLSYZJJFYOMGU-GFCCVEGCSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573521697 946610078 /nfs/dbraw/zinc/61/00/78/946610078.db2.gz BBLSYZJJFYOMGU-GFCCVEGCSA-N -1 3 386.460 0.427 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2csc(Cl)n2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571317450 946610821 /nfs/dbraw/zinc/61/08/21/946610821.db2.gz ISXDSKRZMILBRF-MRVPVSSYSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2csc(Cl)n2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571317450 946610832 /nfs/dbraw/zinc/61/08/32/946610832.db2.gz ISXDSKRZMILBRF-MRVPVSSYSA-N -1 3 392.832 0.949 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573521818 946614222 /nfs/dbraw/zinc/61/42/22/946614222.db2.gz IKZHCADFJAMSOL-SECBINFHSA-N -1 3 392.489 0.489 20 0 GCADHM CC(C)[C@@H](O)C1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000824199363 946614910 /nfs/dbraw/zinc/61/49/10/946614910.db2.gz IPRVXHGQYZPELG-CYBMUJFWSA-N -1 3 376.392 0.858 20 0 GCADHM CC(C)[C@@H](O)C1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824199363 946614911 /nfs/dbraw/zinc/61/49/11/946614911.db2.gz IPRVXHGQYZPELG-CYBMUJFWSA-N -1 3 376.392 0.858 20 0 GCADHM O=C(NC1CC(CNc2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@H]1COC(=O)N1 ZINC001571317735 946619162 /nfs/dbraw/zinc/61/91/62/946619162.db2.gz TUVWTNFIHCQSCM-LKXRVVKTSA-N -1 3 392.807 0.330 20 0 GCADHM O=C(NC1CC(CNc2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@H]1COC(=O)N1 ZINC001571317735 946619170 /nfs/dbraw/zinc/61/91/70/946619170.db2.gz TUVWTNFIHCQSCM-LKXRVVKTSA-N -1 3 392.807 0.330 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC(=O)N1CCOCC1 ZINC000824206441 946621178 /nfs/dbraw/zinc/62/11/78/946621178.db2.gz DRNOLQBXVDFATM-INIZCTEOSA-N -1 3 388.428 0.245 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC(=O)N1CCOCC1 ZINC000824206441 946621186 /nfs/dbraw/zinc/62/11/86/946621186.db2.gz DRNOLQBXVDFATM-INIZCTEOSA-N -1 3 388.428 0.245 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)C[C@H]1CCCO1 ZINC001571317762 946622178 /nfs/dbraw/zinc/62/21/78/946622178.db2.gz UPQAIQHJNYUJQK-MRVWCRGKSA-N -1 3 392.485 0.813 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1NC(=O)C[C@H]1CCCO1 ZINC001571317762 946622192 /nfs/dbraw/zinc/62/21/92/946622192.db2.gz UPQAIQHJNYUJQK-MRVWCRGKSA-N -1 3 392.485 0.813 20 0 GCADHM Cc1nsc(NC2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)c1-c1nnn[n-]1 ZINC001571317907 946624355 /nfs/dbraw/zinc/62/43/55/946624355.db2.gz XWZRKKBJIIUDSA-LBPRGKRZSA-N -1 3 392.489 0.365 20 0 GCADHM Cc1nsc(NC2CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)c1-c1nn[n-]n1 ZINC001571317907 946624360 /nfs/dbraw/zinc/62/43/60/946624360.db2.gz XWZRKKBJIIUDSA-LBPRGKRZSA-N -1 3 392.489 0.365 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573522356 946625308 /nfs/dbraw/zinc/62/53/08/946625308.db2.gz DIDLJIDVQIVONI-LLVKDONJSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573522356 946625313 /nfs/dbraw/zinc/62/53/13/946625313.db2.gz DIDLJIDVQIVONI-LLVKDONJSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573523090 946633053 /nfs/dbraw/zinc/63/30/53/946633053.db2.gz NXAVWXIAQTZQBB-ZJUUUORDSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573523090 946633061 /nfs/dbraw/zinc/63/30/61/946633061.db2.gz NXAVWXIAQTZQBB-ZJUUUORDSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573523910 946640513 /nfs/dbraw/zinc/64/05/13/946640513.db2.gz XYAKPXFLHXVCCG-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573523910 946640514 /nfs/dbraw/zinc/64/05/14/946640514.db2.gz XYAKPXFLHXVCCG-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)c(C)n1)C2 ZINC001573523916 946641936 /nfs/dbraw/zinc/64/19/36/946641936.db2.gz XZZKUMUEBSFXFJ-UGSOOPFHSA-N -1 3 384.444 0.181 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)c(C)n1)C2 ZINC001573523916 946641943 /nfs/dbraw/zinc/64/19/43/946641943.db2.gz XZZKUMUEBSFXFJ-UGSOOPFHSA-N -1 3 384.444 0.181 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573527698 946646064 /nfs/dbraw/zinc/64/60/64/946646064.db2.gz DVKGQQLISUWRPG-CQSZACIVSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573527698 946646073 /nfs/dbraw/zinc/64/60/73/946646073.db2.gz DVKGQQLISUWRPG-CQSZACIVSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573527809 946648849 /nfs/dbraw/zinc/64/88/49/946648849.db2.gz IKOOZHFLUZVVPB-JTQLQIEISA-N -1 3 392.439 0.870 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573527809 946648853 /nfs/dbraw/zinc/64/88/53/946648853.db2.gz IKOOZHFLUZVVPB-JTQLQIEISA-N -1 3 392.439 0.870 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573528046 946655581 /nfs/dbraw/zinc/65/55/81/946655581.db2.gz QYDGTGZYOARDRU-CYBMUJFWSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573528046 946655585 /nfs/dbraw/zinc/65/55/85/946655585.db2.gz QYDGTGZYOARDRU-CYBMUJFWSA-N -1 3 386.460 0.427 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1cn(C)nn1 ZINC000824319052 946656964 /nfs/dbraw/zinc/65/69/64/946656964.db2.gz DEEDCVBOSCODDV-UHFFFAOYSA-N -1 3 385.388 0.037 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1cn(C)nn1 ZINC000824319052 946656970 /nfs/dbraw/zinc/65/69/70/946656970.db2.gz DEEDCVBOSCODDV-UHFFFAOYSA-N -1 3 385.388 0.037 20 0 GCADHM CC(C)Oc1ccc(NC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nnn[n-]1 ZINC000824324103 946658598 /nfs/dbraw/zinc/65/85/98/946658598.db2.gz GQFHXWLNNFNAPI-MEBBXXQBSA-N -1 3 388.428 0.868 20 0 GCADHM CC(C)Oc1ccc(NC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nn[n-]n1 ZINC000824324103 946658605 /nfs/dbraw/zinc/65/86/05/946658605.db2.gz GQFHXWLNNFNAPI-MEBBXXQBSA-N -1 3 388.428 0.868 20 0 GCADHM CC(C)Oc1ccc(NC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nnn[n-]1 ZINC000824324102 946659332 /nfs/dbraw/zinc/65/93/32/946659332.db2.gz GQFHXWLNNFNAPI-BONVTDFDSA-N -1 3 388.428 0.868 20 0 GCADHM CC(C)Oc1ccc(NC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nn[n-]n1 ZINC000824324102 946659340 /nfs/dbraw/zinc/65/93/40/946659340.db2.gz GQFHXWLNNFNAPI-BONVTDFDSA-N -1 3 388.428 0.868 20 0 GCADHM CC(C)n1ncc(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1N ZINC000824377929 946674650 /nfs/dbraw/zinc/67/46/50/946674650.db2.gz TUBHIULPBGVCCU-UHFFFAOYSA-N -1 3 384.400 0.700 20 0 GCADHM CC(C)n1ncc(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1N ZINC000824377929 946674656 /nfs/dbraw/zinc/67/46/56/946674656.db2.gz TUBHIULPBGVCCU-UHFFFAOYSA-N -1 3 384.400 0.700 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1C(F)(F)F ZINC001573529539 946676371 /nfs/dbraw/zinc/67/63/71/946676371.db2.gz NQUPQFIPNKOCCJ-GHMZBOCLSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C(F)(F)F ZINC001573529539 946676381 /nfs/dbraw/zinc/67/63/81/946676381.db2.gz NQUPQFIPNKOCCJ-GHMZBOCLSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NCCN(Cc1cc(-c2nnn[n-]2)ccn1)[C@@H](C)C(=O)OC(C)(C)C ZINC001573529514 946676478 /nfs/dbraw/zinc/67/64/78/946676478.db2.gz NJZRXWVHUCGNKM-LBPRGKRZSA-N -1 3 389.460 0.930 20 0 GCADHM CC(=O)NCCN(Cc1cc(-c2nn[n-]n2)ccn1)[C@@H](C)C(=O)OC(C)(C)C ZINC001573529514 946676481 /nfs/dbraw/zinc/67/64/81/946676481.db2.gz NJZRXWVHUCGNKM-LBPRGKRZSA-N -1 3 389.460 0.930 20 0 GCADHM CC(=O)NC[C@@H]1CN(c2cc(Br)ccc2-c2nnn[n-]2)CCO1 ZINC001573530346 946695438 /nfs/dbraw/zinc/69/54/38/946695438.db2.gz XXMJTDNLVFOECI-LLVKDONJSA-N -1 3 381.234 0.971 20 0 GCADHM CC(=O)NC[C@@H]1CN(c2cc(Br)ccc2-c2nn[n-]n2)CCO1 ZINC001573530346 946695450 /nfs/dbraw/zinc/69/54/50/946695450.db2.gz XXMJTDNLVFOECI-LLVKDONJSA-N -1 3 381.234 0.971 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573535389 946723118 /nfs/dbraw/zinc/72/31/18/946723118.db2.gz DSMBSAMNBQGXSY-UKRRQHHQSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573535389 946723121 /nfs/dbraw/zinc/72/31/21/946723121.db2.gz DSMBSAMNBQGXSY-UKRRQHHQSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@H](NC(=O)[C@H](CO)NC(N)=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472467 946724324 /nfs/dbraw/zinc/72/43/24/946724324.db2.gz WGRFTMRKDVWEAL-ZBEGNZNMSA-N -1 3 395.423 0.740 20 0 GCADHM C[C@H](NC(=O)[C@H](CO)NC(N)=O)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472467 946724330 /nfs/dbraw/zinc/72/43/30/946724330.db2.gz WGRFTMRKDVWEAL-ZBEGNZNMSA-N -1 3 395.423 0.740 20 0 GCADHM C[C@@H](NC(=O)[C@@H](CO)NC(N)=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472453 946725877 /nfs/dbraw/zinc/72/58/77/946725877.db2.gz WGRFTMRKDVWEAL-BDJLRTHQSA-N -1 3 395.423 0.740 20 0 GCADHM C[C@@H](NC(=O)[C@@H](CO)NC(N)=O)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472453 946725883 /nfs/dbraw/zinc/72/58/83/946725883.db2.gz WGRFTMRKDVWEAL-BDJLRTHQSA-N -1 3 395.423 0.740 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CC1)C(C)C ZINC001573536142 946729955 /nfs/dbraw/zinc/72/99/55/946729955.db2.gz PYQQPLHWLLYSJD-HUUCEWRRSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CC1)C(C)C ZINC001573536142 946729964 /nfs/dbraw/zinc/72/99/64/946729964.db2.gz PYQQPLHWLLYSJD-HUUCEWRRSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(C)Cc1cc(-c2nn[n-]n2)ccc1F)C(C)C ZINC001573536196 946732529 /nfs/dbraw/zinc/73/25/29/946732529.db2.gz RWAFJGMGXYOFLQ-MRXNPFEDSA-N -1 3 391.451 0.715 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1)C(C)C ZINC001573536363 946735106 /nfs/dbraw/zinc/73/51/06/946735106.db2.gz ULQHIBWCIYQTBB-OAHLLOKOSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1)C(C)C ZINC001573536363 946735118 /nfs/dbraw/zinc/73/51/18/946735118.db2.gz ULQHIBWCIYQTBB-OAHLLOKOSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)C(C)C ZINC001573536735 946740404 /nfs/dbraw/zinc/74/04/04/946740404.db2.gz BGIGCKJTOVWBMG-HUUCEWRRSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)C(C)C ZINC001573536735 946740414 /nfs/dbraw/zinc/74/04/14/946740414.db2.gz BGIGCKJTOVWBMG-HUUCEWRRSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573537361 946747250 /nfs/dbraw/zinc/74/72/50/946747250.db2.gz LBKBKVUMXUQUMQ-GDBMZVCRSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573537361 946747256 /nfs/dbraw/zinc/74/72/56/946747256.db2.gz LBKBKVUMXUQUMQ-GDBMZVCRSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573537362 946748131 /nfs/dbraw/zinc/74/81/31/946748131.db2.gz LBKBKVUMXUQUMQ-GOEBONIOSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573537362 946748138 /nfs/dbraw/zinc/74/81/38/946748138.db2.gz LBKBKVUMXUQUMQ-GOEBONIOSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573537512 946749959 /nfs/dbraw/zinc/74/99/59/946749959.db2.gz FGUUWPJTZLAEOL-HNNXBMFYSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573537512 946749968 /nfs/dbraw/zinc/74/99/68/946749968.db2.gz FGUUWPJTZLAEOL-HNNXBMFYSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573537563 946752445 /nfs/dbraw/zinc/75/24/45/946752445.db2.gz OWTAOXKCTFPROT-HFBAOOFYSA-N -1 3 386.460 0.681 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573537563 946752452 /nfs/dbraw/zinc/75/24/52/946752452.db2.gz OWTAOXKCTFPROT-HFBAOOFYSA-N -1 3 386.460 0.681 20 0 GCADHM C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)C(N)=O ZINC000824506236 946752539 /nfs/dbraw/zinc/75/25/39/946752539.db2.gz MWSBURPXWXLSLV-ZETCQYMHSA-N -1 3 375.780 0.701 20 0 GCADHM C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)C(N)=O ZINC000824506236 946752548 /nfs/dbraw/zinc/75/25/48/946752548.db2.gz MWSBURPXWXLSLV-ZETCQYMHSA-N -1 3 375.780 0.701 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573537833 946756839 /nfs/dbraw/zinc/75/68/39/946756839.db2.gz LDBIDSVUVFRJNI-KRWDZBQOSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573537833 946756844 /nfs/dbraw/zinc/75/68/44/946756844.db2.gz LDBIDSVUVFRJNI-KRWDZBQOSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573537722 946758549 /nfs/dbraw/zinc/75/85/49/946758549.db2.gz RGMGFLIFXLZFNC-GOEBONIOSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573537722 946758561 /nfs/dbraw/zinc/75/85/61/946758561.db2.gz RGMGFLIFXLZFNC-GOEBONIOSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573538533 946770112 /nfs/dbraw/zinc/77/01/12/946770112.db2.gz WBFZFYQQVXVVEC-LRDDRELGSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573538533 946770118 /nfs/dbraw/zinc/77/01/18/946770118.db2.gz WBFZFYQQVXVVEC-LRDDRELGSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@@H](NC(N)=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824537228 946772271 /nfs/dbraw/zinc/77/22/71/946772271.db2.gz CHZNXYYLSFYNBA-SSDOTTSWSA-N -1 3 375.780 0.701 20 0 GCADHM C[C@@H](NC(N)=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824537228 946772277 /nfs/dbraw/zinc/77/22/77/946772277.db2.gz CHZNXYYLSFYNBA-SSDOTTSWSA-N -1 3 375.780 0.701 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573540376 946775383 /nfs/dbraw/zinc/77/53/83/946775383.db2.gz BPTOTGDAIDSFJR-OAHLLOKOSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573540376 946775393 /nfs/dbraw/zinc/77/53/93/946775393.db2.gz BPTOTGDAIDSFJR-OAHLLOKOSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)C(C)(C)C ZINC001573540869 946781100 /nfs/dbraw/zinc/78/11/00/946781100.db2.gz JKXIKQKLUJBBTA-MRXNPFEDSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)C(C)(C)C ZINC001573540869 946781109 /nfs/dbraw/zinc/78/11/09/946781109.db2.gz JKXIKQKLUJBBTA-MRXNPFEDSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)(C)C ZINC001573540649 946781363 /nfs/dbraw/zinc/78/13/63/946781363.db2.gz JAFZAERQRGSDGU-VNHYZAJKSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)(C)C ZINC001573540649 946781372 /nfs/dbraw/zinc/78/13/72/946781372.db2.gz JAFZAERQRGSDGU-VNHYZAJKSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573541051 946783200 /nfs/dbraw/zinc/78/32/00/946783200.db2.gz NDAKXXAECFBNFR-IAQYHMDHSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573541051 946783206 /nfs/dbraw/zinc/78/32/06/946783206.db2.gz NDAKXXAECFBNFR-IAQYHMDHSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001573541888 946790500 /nfs/dbraw/zinc/79/05/00/946790500.db2.gz WYZRSXGJGINGOS-TVQRCGJNSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001573541888 946790514 /nfs/dbraw/zinc/79/05/14/946790514.db2.gz WYZRSXGJGINGOS-TVQRCGJNSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573542157 946792203 /nfs/dbraw/zinc/79/22/03/946792203.db2.gz AHQKLATZOFXYNA-QMTHXVAHSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573542157 946792210 /nfs/dbraw/zinc/79/22/10/946792210.db2.gz AHQKLATZOFXYNA-QMTHXVAHSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001573541971 946793315 /nfs/dbraw/zinc/79/33/15/946793315.db2.gz ZUIIDPJBRKLDJI-CQSZACIVSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001573541971 946793326 /nfs/dbraw/zinc/79/33/26/946793326.db2.gz ZUIIDPJBRKLDJI-CQSZACIVSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573542259 946795333 /nfs/dbraw/zinc/79/53/33/946795333.db2.gz DPHQZIIDMFZGRC-UMVBOHGHSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573542259 946795340 /nfs/dbraw/zinc/79/53/40/946795340.db2.gz DPHQZIIDMFZGRC-UMVBOHGHSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC001573542746 946799571 /nfs/dbraw/zinc/79/95/71/946799571.db2.gz OMNKMLWWQVDIEZ-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001573542746 946799577 /nfs/dbraw/zinc/79/95/77/946799577.db2.gz OMNKMLWWQVDIEZ-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N(C)CCNc2ncccc2-c2nnn[n-]2)nc1 ZINC001573547774 946841424 /nfs/dbraw/zinc/84/14/24/946841424.db2.gz UGKCMOJYFDGYKN-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N(C)CCNc2ncccc2-c2nn[n-]n2)nc1 ZINC001573547774 946841437 /nfs/dbraw/zinc/84/14/37/946841437.db2.gz UGKCMOJYFDGYKN-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NCCN(C)c2ncccc2-c2nnn[n-]2)nc1 ZINC001573547895 946841749 /nfs/dbraw/zinc/84/17/49/946841749.db2.gz XPXITTMKQVQHJO-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NCCN(C)c2ncccc2-c2nn[n-]n2)nc1 ZINC001573547895 946841752 /nfs/dbraw/zinc/84/17/52/946841752.db2.gz XPXITTMKQVQHJO-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1nc(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)cn2)cs1 ZINC001573548098 946846456 /nfs/dbraw/zinc/84/64/56/946846456.db2.gz CQXNNDAUOHECPN-UHFFFAOYSA-N -1 3 387.429 0.861 20 0 GCADHM CC(=O)Nc1nc(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)cn2)cs1 ZINC001573548098 946846471 /nfs/dbraw/zinc/84/64/71/946846471.db2.gz CQXNNDAUOHECPN-UHFFFAOYSA-N -1 3 387.429 0.861 20 0 GCADHM CC(=O)Nc1nc(C(=O)NC[C@@H](C)Nc2ncccc2-c2nnn[n-]2)cs1 ZINC001573548035 946846501 /nfs/dbraw/zinc/84/65/01/946846501.db2.gz BTSTYHDKPPZUTL-MRVPVSSYSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)NC[C@@H](C)Nc2ncccc2-c2nn[n-]n2)cs1 ZINC001573548035 946846521 /nfs/dbraw/zinc/84/65/21/946846521.db2.gz BTSTYHDKPPZUTL-MRVPVSSYSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(CN[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cs1 ZINC001573548291 946851361 /nfs/dbraw/zinc/85/13/61/946851361.db2.gz HXNJAIUFVCAUOJ-MRVPVSSYSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CN[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cs1 ZINC001573548291 946851367 /nfs/dbraw/zinc/85/13/67/946851367.db2.gz HXNJAIUFVCAUOJ-MRVPVSSYSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573548987 946863461 /nfs/dbraw/zinc/86/34/61/946863461.db2.gz ZTRUELXVKYNQHX-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573548987 946863476 /nfs/dbraw/zinc/86/34/76/946863476.db2.gz ZTRUELXVKYNQHX-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCCCO ZINC000824635212 946879649 /nfs/dbraw/zinc/87/96/49/946879649.db2.gz ZURBLNQTILQBPX-GFCCVEGCSA-N -1 3 396.473 0.202 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCCCO ZINC000824635212 946879662 /nfs/dbraw/zinc/87/96/62/946879662.db2.gz ZURBLNQTILQBPX-GFCCVEGCSA-N -1 3 396.473 0.202 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC=C(F)C1 ZINC000824640114 946879689 /nfs/dbraw/zinc/87/96/89/946879689.db2.gz ANOIRADSKUHKAJ-JTQLQIEISA-N -1 3 380.405 0.619 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC=C(F)C1 ZINC000824640114 946879705 /nfs/dbraw/zinc/87/97/05/946879705.db2.gz ANOIRADSKUHKAJ-JTQLQIEISA-N -1 3 380.405 0.619 20 0 GCADHM C[C@H](O)C(=O)N1CCN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824677721 946894195 /nfs/dbraw/zinc/89/41/95/946894195.db2.gz HBEYQYSTNRBBDU-ZDUSSCGKSA-N -1 3 396.455 0.292 20 0 GCADHM C[C@H](O)C(=O)N1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677721 946894211 /nfs/dbraw/zinc/89/42/11/946894211.db2.gz HBEYQYSTNRBBDU-ZDUSSCGKSA-N -1 3 396.455 0.292 20 0 GCADHM C[C@H](C[C@H](C)O)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000824689324 946895521 /nfs/dbraw/zinc/89/55/21/946895521.db2.gz KQOQXMSCDOSZMP-SFYZADRCSA-N -1 3 384.343 0.682 20 0 GCADHM C[C@H](C[C@H](C)O)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000824689324 946895536 /nfs/dbraw/zinc/89/55/36/946895536.db2.gz KQOQXMSCDOSZMP-SFYZADRCSA-N -1 3 384.343 0.682 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001573559011 946945302 /nfs/dbraw/zinc/94/53/02/946945302.db2.gz VAQLENJTYMNIGZ-SNVBAGLBSA-N -1 3 381.400 0.988 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001573559011 946945307 /nfs/dbraw/zinc/94/53/07/946945307.db2.gz VAQLENJTYMNIGZ-SNVBAGLBSA-N -1 3 381.400 0.988 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000824991864 947031010 /nfs/dbraw/zinc/03/10/10/947031010.db2.gz HRSROKFFWGYJSI-GHMZBOCLSA-N -1 3 376.446 0.596 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000824991864 947031019 /nfs/dbraw/zinc/03/10/19/947031019.db2.gz HRSROKFFWGYJSI-GHMZBOCLSA-N -1 3 376.446 0.596 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825066211 947062185 /nfs/dbraw/zinc/06/21/85/947062185.db2.gz ADEQRNYNGDYFNF-WDEREUQCSA-N -1 3 375.433 0.978 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825066211 947062196 /nfs/dbraw/zinc/06/21/96/947062196.db2.gz ADEQRNYNGDYFNF-WDEREUQCSA-N -1 3 375.433 0.978 20 0 GCADHM CCCNC(=O)CN(C)C(=O)CSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000825328595 947153428 /nfs/dbraw/zinc/15/34/28/947153428.db2.gz VAGDUXLBNHEWGQ-UHFFFAOYSA-N -1 3 378.462 0.350 20 0 GCADHM CCCNC(=O)CN(C)C(=O)CSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000825328595 947153437 /nfs/dbraw/zinc/15/34/37/947153437.db2.gz VAGDUXLBNHEWGQ-UHFFFAOYSA-N -1 3 378.462 0.350 20 0 GCADHM CCNC(=O)CNC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825470401 947197234 /nfs/dbraw/zinc/19/72/34/947197234.db2.gz DUWSIBDZTBHXSP-UHFFFAOYSA-N -1 3 389.807 0.963 20 0 GCADHM CCOC(=O)C1(C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)CC1 ZINC000825494064 947205545 /nfs/dbraw/zinc/20/55/45/947205545.db2.gz RPRAQPFYRBFPFO-UHFFFAOYSA-N -1 3 382.384 0.788 20 0 GCADHM CCOC(=O)C1(C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)CC1 ZINC000825494064 947205555 /nfs/dbraw/zinc/20/55/55/947205555.db2.gz RPRAQPFYRBFPFO-UHFFFAOYSA-N -1 3 382.384 0.788 20 0 GCADHM CCOC(=O)[C@@H](CO)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825494145 947205678 /nfs/dbraw/zinc/20/56/78/947205678.db2.gz UKEIFIWHWUWREP-CYBMUJFWSA-N -1 3 390.400 0.016 20 0 GCADHM CCOC(=O)[C@@H](CO)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825494145 947205686 /nfs/dbraw/zinc/20/56/86/947205686.db2.gz UKEIFIWHWUWREP-CYBMUJFWSA-N -1 3 390.400 0.016 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000825493912 947206346 /nfs/dbraw/zinc/20/63/46/947206346.db2.gz QKRKZRSUKJDSOK-AWEZNQCLSA-N -1 3 398.379 0.708 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825493912 947206355 /nfs/dbraw/zinc/20/63/55/947206355.db2.gz QKRKZRSUKJDSOK-AWEZNQCLSA-N -1 3 398.379 0.708 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825494146 947206372 /nfs/dbraw/zinc/20/63/72/947206372.db2.gz UKEIFIWHWUWREP-ZDUSSCGKSA-N -1 3 390.400 0.016 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825494146 947206381 /nfs/dbraw/zinc/20/63/81/947206381.db2.gz UKEIFIWHWUWREP-ZDUSSCGKSA-N -1 3 390.400 0.016 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1-c1nnn[n-]1 ZINC000825565329 947225278 /nfs/dbraw/zinc/22/52/78/947225278.db2.gz RDTSCRVQVUNMBX-QWHCGFSZSA-N -1 3 389.416 0.410 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)NCCOc2cccc(C)c2)c1-c1nnn[n-]1 ZINC000825565082 947225685 /nfs/dbraw/zinc/22/56/85/947225685.db2.gz LMKNVPRSIANFDY-UHFFFAOYSA-N -1 3 399.411 0.744 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)Nc2cccc(NC(C)=O)c2)c1-c1nnn[n-]1 ZINC000825571322 947236196 /nfs/dbraw/zinc/23/61/96/947236196.db2.gz XXCTZMCYAFRQLZ-UHFFFAOYSA-N -1 3 398.383 0.837 20 0 GCADHM CCOC(=O)c1cnn(CCS(=O)(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000825571325 947236474 /nfs/dbraw/zinc/23/64/74/947236474.db2.gz YAHNROGVLJMVOP-UHFFFAOYSA-N -1 3 376.398 0.714 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H](C)c1cncnc1 ZINC001573584892 947237223 /nfs/dbraw/zinc/23/72/23/947237223.db2.gz ALVYKLJOYBMPPP-GHMZBOCLSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H](C)c1cncnc1 ZINC001573584892 947237232 /nfs/dbraw/zinc/23/72/32/947237232.db2.gz ALVYKLJOYBMPPP-GHMZBOCLSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H](C)C1CCOCC1 ZINC001573585190 947247961 /nfs/dbraw/zinc/24/79/61/947247961.db2.gz CVOHWIZKLASKCQ-VXGBXAGGSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H](C)C1CCOCC1 ZINC001573585190 947247971 /nfs/dbraw/zinc/24/79/71/947247971.db2.gz CVOHWIZKLASKCQ-VXGBXAGGSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)n1cncn1 ZINC001573586327 947286183 /nfs/dbraw/zinc/28/61/83/947286183.db2.gz OFQAEXOZFCXBDY-FZMZJTMJSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)n1cncn1 ZINC001573586327 947286194 /nfs/dbraw/zinc/28/61/94/947286194.db2.gz OFQAEXOZFCXBDY-FZMZJTMJSA-N -1 3 382.432 0.763 20 0 GCADHM CC(C)N(C)C(=O)[C@H](C)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573587195 947304314 /nfs/dbraw/zinc/30/43/14/947304314.db2.gz XQXFCXRLZVAXSL-LBPRGKRZSA-N -1 3 376.465 0.454 20 0 GCADHM CCn1c(C)nnc1CS(=O)(=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825782589 947328881 /nfs/dbraw/zinc/32/88/81/947328881.db2.gz HVTZZRWEXQQHQS-UHFFFAOYSA-N -1 3 390.429 0.340 20 0 GCADHM CCn1c(C)nnc1CS(=O)(=O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825782589 947328893 /nfs/dbraw/zinc/32/88/93/947328893.db2.gz HVTZZRWEXQQHQS-UHFFFAOYSA-N -1 3 390.429 0.340 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC001573592294 947333573 /nfs/dbraw/zinc/33/35/73/947333573.db2.gz IUIOEPBTBONYPU-OCCSQVGLSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC001573592294 947333589 /nfs/dbraw/zinc/33/35/89/947333589.db2.gz IUIOEPBTBONYPU-OCCSQVGLSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573592279 947333645 /nfs/dbraw/zinc/33/36/45/947333645.db2.gz CAZGIWGUILDMIW-FZMZJTMJSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573592279 947333661 /nfs/dbraw/zinc/33/36/61/947333661.db2.gz CAZGIWGUILDMIW-FZMZJTMJSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573593046 947357507 /nfs/dbraw/zinc/35/75/07/947357507.db2.gz POCOIXMCWDBGTB-VXGBXAGGSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573593046 947357521 /nfs/dbraw/zinc/35/75/21/947357521.db2.gz POCOIXMCWDBGTB-VXGBXAGGSA-N -1 3 391.476 0.768 20 0 GCADHM CN(C)c1nccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000825888722 947359489 /nfs/dbraw/zinc/35/94/89/947359489.db2.gz VDVXDUZXSGPSJA-UHFFFAOYSA-N -1 3 385.363 0.117 20 0 GCADHM CN(C)c1nccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000825888722 947359503 /nfs/dbraw/zinc/35/95/03/947359503.db2.gz VDVXDUZXSGPSJA-UHFFFAOYSA-N -1 3 385.363 0.117 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573593138 947362939 /nfs/dbraw/zinc/36/29/39/947362939.db2.gz IPHIBVSVHIRKQW-VOMCLLRMSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573593138 947362945 /nfs/dbraw/zinc/36/29/45/947362945.db2.gz IPHIBVSVHIRKQW-VOMCLLRMSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573594092 947386385 /nfs/dbraw/zinc/38/63/85/947386385.db2.gz XIEWGBWYIUQHMZ-AAEUAGOBSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573594092 947386398 /nfs/dbraw/zinc/38/63/98/947386398.db2.gz XIEWGBWYIUQHMZ-AAEUAGOBSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573594088 947387777 /nfs/dbraw/zinc/38/77/77/947387777.db2.gz XHQRFXBBIWQLBZ-OCCSQVGLSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573594088 947387788 /nfs/dbraw/zinc/38/77/88/947387788.db2.gz XHQRFXBBIWQLBZ-OCCSQVGLSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573594208 947388776 /nfs/dbraw/zinc/38/87/76/947388776.db2.gz OSAFLTUBRUVXAT-XGNXJENSSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573594208 947388786 /nfs/dbraw/zinc/38/87/86/947388786.db2.gz OSAFLTUBRUVXAT-XGNXJENSSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573594862 947407632 /nfs/dbraw/zinc/40/76/32/947407632.db2.gz DCHDFNRLYMEPHG-BXUZGUMPSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573594862 947407637 /nfs/dbraw/zinc/40/76/37/947407637.db2.gz DCHDFNRLYMEPHG-BXUZGUMPSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573594864 947408730 /nfs/dbraw/zinc/40/87/30/947408730.db2.gz DCHDFNRLYMEPHG-RISCZKNCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573594864 947408738 /nfs/dbraw/zinc/40/87/38/947408738.db2.gz DCHDFNRLYMEPHG-RISCZKNCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573594906 947409845 /nfs/dbraw/zinc/40/98/45/947409845.db2.gz DVADGTNSOMSSAT-CMPLNLGQSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573594906 947409857 /nfs/dbraw/zinc/40/98/57/947409857.db2.gz DVADGTNSOMSSAT-CMPLNLGQSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573594908 947410667 /nfs/dbraw/zinc/41/06/67/947410667.db2.gz DVADGTNSOMSSAT-PWSUYJOCSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573594908 947410671 /nfs/dbraw/zinc/41/06/71/947410671.db2.gz DVADGTNSOMSSAT-PWSUYJOCSA-N -1 3 387.400 0.141 20 0 GCADHM CN1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)C1 ZINC000826045091 947419681 /nfs/dbraw/zinc/41/96/81/947419681.db2.gz PAYZEWKLIDAKGM-CYBMUJFWSA-N -1 3 388.819 0.975 20 0 GCADHM CNC(=O)C1CCC(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000826051383 947419883 /nfs/dbraw/zinc/41/98/83/947419883.db2.gz KYPGIMKIBFYUKM-UHFFFAOYSA-N -1 3 387.444 0.979 20 0 GCADHM CNC(=O)C1CCC(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000826051383 947419891 /nfs/dbraw/zinc/41/98/91/947419891.db2.gz KYPGIMKIBFYUKM-UHFFFAOYSA-N -1 3 387.444 0.979 20 0 GCADHM CNS(=O)(=O)CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826090710 947425254 /nfs/dbraw/zinc/42/52/54/947425254.db2.gz LWHGJQJJJSNVEG-UHFFFAOYSA-N -1 3 396.820 0.194 20 0 GCADHM CNS(=O)(=O)CC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826090710 947425260 /nfs/dbraw/zinc/42/52/60/947425260.db2.gz LWHGJQJJJSNVEG-UHFFFAOYSA-N -1 3 396.820 0.194 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCC(=O)N1 ZINC001573596916 947433814 /nfs/dbraw/zinc/43/38/14/947433814.db2.gz LZWQLBZMZZHFCI-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCC(=O)N1 ZINC001573596916 947433817 /nfs/dbraw/zinc/43/38/17/947433817.db2.gz LZWQLBZMZZHFCI-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ncccc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573597302 947434015 /nfs/dbraw/zinc/43/40/15/947434015.db2.gz NCZWIZOWGXJJDD-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ncccc1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573597302 947434022 /nfs/dbraw/zinc/43/40/22/947434022.db2.gz NCZWIZOWGXJJDD-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM COC(=O)C1(O)CCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC000826129610 947443999 /nfs/dbraw/zinc/44/39/99/947443999.db2.gz WLLXJGPWCVYIBE-UHFFFAOYSA-N -1 3 377.401 0.254 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001573598758 947444905 /nfs/dbraw/zinc/44/49/05/947444905.db2.gz RFEVDHNLVBKBNT-IUODEOHRSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001573598758 947444914 /nfs/dbraw/zinc/44/49/14/947444914.db2.gz RFEVDHNLVBKBNT-IUODEOHRSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C1CC1 ZINC001573602569 947468032 /nfs/dbraw/zinc/46/80/32/947468032.db2.gz FLGQRSWXSYPSDS-ZDUSSCGKSA-N -1 3 385.476 0.283 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001573602187 947468853 /nfs/dbraw/zinc/46/88/53/947468853.db2.gz DKAXVIXBRDTLAD-JTQLQIEISA-N -1 3 386.503 0.252 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCOCC1 ZINC001573603016 947475783 /nfs/dbraw/zinc/47/57/83/947475783.db2.gz IWLWPGROZZTONJ-GFCCVEGCSA-N -1 3 389.460 0.788 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCOCC1 ZINC001573603016 947475790 /nfs/dbraw/zinc/47/57/90/947475790.db2.gz IWLWPGROZZTONJ-GFCCVEGCSA-N -1 3 389.460 0.788 20 0 GCADHM COCC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(N)=O ZINC000826154049 947485646 /nfs/dbraw/zinc/48/56/46/947485646.db2.gz GXDCXDHUCWWYLB-SNVBAGLBSA-N -1 3 387.322 0.897 20 0 GCADHM COCC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(N)=O ZINC000826154049 947485648 /nfs/dbraw/zinc/48/56/48/947485648.db2.gz GXDCXDHUCWWYLB-SNVBAGLBSA-N -1 3 387.322 0.897 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573603414 947487646 /nfs/dbraw/zinc/48/76/46/947487646.db2.gz GKRQKNDALYNRTQ-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573603414 947487658 /nfs/dbraw/zinc/48/76/58/947487658.db2.gz GKRQKNDALYNRTQ-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)S(=O)(=O)C1CCOCC1 ZINC001573603658 947494310 /nfs/dbraw/zinc/49/43/10/947494310.db2.gz JBLWQBFEZMMRHF-JTQLQIEISA-N -1 3 380.430 0.207 20 0 GCADHM C[C@@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)S(=O)(=O)C1CCOCC1 ZINC001573603658 947494313 /nfs/dbraw/zinc/49/43/13/947494313.db2.gz JBLWQBFEZMMRHF-JTQLQIEISA-N -1 3 380.430 0.207 20 0 GCADHM COCCCOCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000826156925 947494503 /nfs/dbraw/zinc/49/45/03/947494503.db2.gz ZZPWPTZZIAFBRM-UHFFFAOYSA-N -1 3 390.444 0.819 20 0 GCADHM COCCCOCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000826156925 947494519 /nfs/dbraw/zinc/49/45/19/947494519.db2.gz ZZPWPTZZIAFBRM-UHFFFAOYSA-N -1 3 390.444 0.819 20 0 GCADHM COCCCOCC(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826156548 947495359 /nfs/dbraw/zinc/49/53/59/947495359.db2.gz JFOUCYYEHBTCLB-OAHLLOKOSA-N -1 3 389.412 0.958 20 0 GCADHM COCCCOCC(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826156548 947495366 /nfs/dbraw/zinc/49/53/66/947495366.db2.gz JFOUCYYEHBTCLB-OAHLLOKOSA-N -1 3 389.412 0.958 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573603727 947497227 /nfs/dbraw/zinc/49/72/27/947497227.db2.gz PCDCZUSRKVFSEO-LBPRGKRZSA-N -1 3 382.428 0.924 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573603727 947497233 /nfs/dbraw/zinc/49/72/33/947497233.db2.gz PCDCZUSRKVFSEO-LBPRGKRZSA-N -1 3 382.428 0.924 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826160365 947503442 /nfs/dbraw/zinc/50/34/42/947503442.db2.gz PGIRXTUMKWJKHG-KRWDZBQOSA-N -1 3 394.435 0.970 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826160365 947503453 /nfs/dbraw/zinc/50/34/53/947503453.db2.gz PGIRXTUMKWJKHG-KRWDZBQOSA-N -1 3 394.435 0.970 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000826160229 947503585 /nfs/dbraw/zinc/50/35/85/947503585.db2.gz JXMOHZFZRKHBOO-INIZCTEOSA-N -1 3 395.423 0.365 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826160229 947503598 /nfs/dbraw/zinc/50/35/98/947503598.db2.gz JXMOHZFZRKHBOO-INIZCTEOSA-N -1 3 395.423 0.365 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001573604454 947509635 /nfs/dbraw/zinc/50/96/35/947509635.db2.gz NQWMIVGEWLSONW-NSHDSACASA-N -1 3 387.400 0.142 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001573604454 947509645 /nfs/dbraw/zinc/50/96/45/947509645.db2.gz NQWMIVGEWLSONW-NSHDSACASA-N -1 3 387.400 0.142 20 0 GCADHM COCCn1cc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000826163936 947514912 /nfs/dbraw/zinc/51/49/12/947514912.db2.gz RJPOBOCXCAFUKI-AWEZNQCLSA-N -1 3 385.384 0.401 20 0 GCADHM COCCn1cc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000826163936 947514921 /nfs/dbraw/zinc/51/49/21/947514921.db2.gz RJPOBOCXCAFUKI-AWEZNQCLSA-N -1 3 385.384 0.401 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)c1cccnc1 ZINC001573604716 947515068 /nfs/dbraw/zinc/51/50/68/947515068.db2.gz QEMLEVRNSIURFN-ZDUSSCGKSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC001573604716 947515072 /nfs/dbraw/zinc/51/50/72/947515072.db2.gz QEMLEVRNSIURFN-ZDUSSCGKSA-N -1 3 382.428 0.693 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573604689 947515331 /nfs/dbraw/zinc/51/53/31/947515331.db2.gz PNVAMACUUKVPJB-SECBINFHSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573604689 947515338 /nfs/dbraw/zinc/51/53/38/947515338.db2.gz PNVAMACUUKVPJB-SECBINFHSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001573605080 947522893 /nfs/dbraw/zinc/52/28/93/947522893.db2.gz UWCBCZUSYNPJNA-WCFLWFBJSA-N -1 3 383.412 0.788 20 0 GCADHM C[C@@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001573605080 947522901 /nfs/dbraw/zinc/52/29/01/947522901.db2.gz UWCBCZUSYNPJNA-WCFLWFBJSA-N -1 3 383.412 0.788 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573605154 947525702 /nfs/dbraw/zinc/52/57/02/947525702.db2.gz YUFAOPVIKCQLHF-GFCCVEGCSA-N -1 3 389.460 0.788 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573605154 947525712 /nfs/dbraw/zinc/52/57/12/947525712.db2.gz YUFAOPVIKCQLHF-GFCCVEGCSA-N -1 3 389.460 0.788 20 0 GCADHM COc1cc(C)nc(N2CCN(c3nc4ccccn4c3-c3nnn[n-]3)CC2)n1 ZINC000826178518 947553000 /nfs/dbraw/zinc/55/30/00/947553000.db2.gz AXDHMIHCNHDOPJ-UHFFFAOYSA-N -1 3 392.427 0.948 20 0 GCADHM COc1cc(C)nc(N2CCN(c3nc4ccccn4c3-c3nn[n-]n3)CC2)n1 ZINC000826178518 947553010 /nfs/dbraw/zinc/55/30/10/947553010.db2.gz AXDHMIHCNHDOPJ-UHFFFAOYSA-N -1 3 392.427 0.948 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2)C1CC1 ZINC001573613449 947562334 /nfs/dbraw/zinc/56/23/34/947562334.db2.gz AJDBICJTWQWLMF-ZWNOBZJWSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2)C1CC1 ZINC001573613449 947562341 /nfs/dbraw/zinc/56/23/41/947562341.db2.gz AJDBICJTWQWLMF-ZWNOBZJWSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2)C1CC1 ZINC001573613493 947562423 /nfs/dbraw/zinc/56/24/23/947562423.db2.gz BGPDRJSPYWKFMX-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2)C1CC1 ZINC001573613493 947562434 /nfs/dbraw/zinc/56/24/34/947562434.db2.gz BGPDRJSPYWKFMX-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573613819 947571475 /nfs/dbraw/zinc/57/14/75/947571475.db2.gz AASCMNWVMFJQTI-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573613819 947571484 /nfs/dbraw/zinc/57/14/84/947571484.db2.gz AASCMNWVMFJQTI-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573613821 947571992 /nfs/dbraw/zinc/57/19/92/947571992.db2.gz AASCMNWVMFJQTI-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573613821 947572001 /nfs/dbraw/zinc/57/20/01/947572001.db2.gz AASCMNWVMFJQTI-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](CO)C2CCOCC2)cc1-c1nnn[n-]1 ZINC000826198854 947595506 /nfs/dbraw/zinc/59/55/06/947595506.db2.gz KOKFGALFBWKTDO-AWEZNQCLSA-N -1 3 376.417 0.462 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](CO)C2CCOCC2)cc1-c1nn[n-]n1 ZINC000826198854 947595515 /nfs/dbraw/zinc/59/55/15/947595515.db2.gz KOKFGALFBWKTDO-AWEZNQCLSA-N -1 3 376.417 0.462 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573615122 947600200 /nfs/dbraw/zinc/60/02/00/947600200.db2.gz RIOOOGZAJMRLSZ-SJKOYZFVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573615122 947600212 /nfs/dbraw/zinc/60/02/12/947600212.db2.gz RIOOOGZAJMRLSZ-SJKOYZFVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573616178 947618923 /nfs/dbraw/zinc/61/89/23/947618923.db2.gz MCJZPUGZWWPGMF-IUCAKERBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573616178 947618927 /nfs/dbraw/zinc/61/89/27/947618927.db2.gz MCJZPUGZWWPGMF-IUCAKERBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)N1CCC(N(C)c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573616207 947619602 /nfs/dbraw/zinc/61/96/02/947619602.db2.gz HQCKEQDDEJOQOX-GFCCVEGCSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC(N(C)c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573616207 947619612 /nfs/dbraw/zinc/61/96/12/947619612.db2.gz HQCKEQDDEJOQOX-GFCCVEGCSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573616170 947619747 /nfs/dbraw/zinc/61/97/47/947619747.db2.gz MCJZPUGZWWPGMF-BDAKNGLRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573616170 947619755 /nfs/dbraw/zinc/61/97/55/947619755.db2.gz MCJZPUGZWWPGMF-BDAKNGLRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573617037 947631876 /nfs/dbraw/zinc/63/18/76/947631876.db2.gz KWOZDOZUADBRAI-PWSUYJOCSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573617037 947631882 /nfs/dbraw/zinc/63/18/82/947631882.db2.gz KWOZDOZUADBRAI-PWSUYJOCSA-N -1 3 386.395 0.291 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC001573354362 947633019 /nfs/dbraw/zinc/63/30/19/947633019.db2.gz BHJCSICZIJUUTG-CQSZACIVSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC001573354362 947633021 /nfs/dbraw/zinc/63/30/21/947633021.db2.gz BHJCSICZIJUUTG-CQSZACIVSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccn1 ZINC001573617394 947634299 /nfs/dbraw/zinc/63/42/99/947634299.db2.gz LMZNKSITXVDFNL-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccn1 ZINC001573617394 947634310 /nfs/dbraw/zinc/63/43/10/947634310.db2.gz LMZNKSITXVDFNL-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573354738 947636912 /nfs/dbraw/zinc/63/69/12/947636912.db2.gz HDPSBVJJANVDGQ-ZDUSSCGKSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573354738 947636914 /nfs/dbraw/zinc/63/69/14/947636914.db2.gz HDPSBVJJANVDGQ-ZDUSSCGKSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573617614 947638199 /nfs/dbraw/zinc/63/81/99/947638199.db2.gz MGLSJOPYDGFOFL-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573617614 947638210 /nfs/dbraw/zinc/63/82/10/947638210.db2.gz MGLSJOPYDGFOFL-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573617679 947639339 /nfs/dbraw/zinc/63/93/39/947639339.db2.gz MNHACCZABAUPFC-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573617679 947639351 /nfs/dbraw/zinc/63/93/51/947639351.db2.gz MNHACCZABAUPFC-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573617731 947641901 /nfs/dbraw/zinc/64/19/01/947641901.db2.gz MRJFNZYAXJOTGW-VXGBXAGGSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573617731 947641905 /nfs/dbraw/zinc/64/19/05/947641905.db2.gz MRJFNZYAXJOTGW-VXGBXAGGSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573617933 947642515 /nfs/dbraw/zinc/64/25/15/947642515.db2.gz RBGJROHWHXUODN-DTWKUNHWSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573617933 947642524 /nfs/dbraw/zinc/64/25/24/947642524.db2.gz RBGJROHWHXUODN-DTWKUNHWSA-N -1 3 385.350 0.972 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC001573355833 947645137 /nfs/dbraw/zinc/64/51/37/947645137.db2.gz QOYHPRKJLXEOCK-AWEZNQCLSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC001573355833 947645145 /nfs/dbraw/zinc/64/51/45/947645145.db2.gz QOYHPRKJLXEOCK-AWEZNQCLSA-N -1 3 381.396 0.359 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826223650 947659003 /nfs/dbraw/zinc/65/90/03/947659003.db2.gz VBHOGXYSXZCHAK-GHMZBOCLSA-N -1 3 376.446 0.644 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826223650 947659007 /nfs/dbraw/zinc/65/90/07/947659007.db2.gz VBHOGXYSXZCHAK-GHMZBOCLSA-N -1 3 376.446 0.644 20 0 GCADHM CS(=O)(=O)Nc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826223827 947660338 /nfs/dbraw/zinc/66/03/38/947660338.db2.gz BUQPEHYVJRAWBU-CQSZACIVSA-N -1 3 388.409 0.910 20 0 GCADHM CS(=O)(=O)Nc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826223827 947660344 /nfs/dbraw/zinc/66/03/44/947660344.db2.gz BUQPEHYVJRAWBU-CQSZACIVSA-N -1 3 388.409 0.910 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573620353 947679444 /nfs/dbraw/zinc/67/94/44/947679444.db2.gz ZSFSANHYNBYZFB-QWHCGFSZSA-N -1 3 382.432 0.399 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CN(C)c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573620353 947679451 /nfs/dbraw/zinc/67/94/51/947679451.db2.gz ZSFSANHYNBYZFB-QWHCGFSZSA-N -1 3 382.432 0.399 20 0 GCADHM C[C@H]1CN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CCN1S(C)(=O)=O ZINC000826232455 947679641 /nfs/dbraw/zinc/67/96/41/947679641.db2.gz NLTWDGVXPSDULU-KRZKBDHCSA-N -1 3 376.442 0.372 20 0 GCADHM C[C@H]1CN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CCN1S(C)(=O)=O ZINC000826232455 947679647 /nfs/dbraw/zinc/67/96/47/947679647.db2.gz NLTWDGVXPSDULU-KRZKBDHCSA-N -1 3 376.442 0.372 20 0 GCADHM C/C(=C/C(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1)C1CC1 ZINC001573361580 947691577 /nfs/dbraw/zinc/69/15/77/947691577.db2.gz BTOLRLJGVYADRZ-ADYPVZHUSA-N -1 3 383.456 0.984 20 0 GCADHM C/C(=C/C(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1)C1CC1 ZINC001573361580 947691585 /nfs/dbraw/zinc/69/15/85/947691585.db2.gz BTOLRLJGVYADRZ-ADYPVZHUSA-N -1 3 383.456 0.984 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573625567 947701072 /nfs/dbraw/zinc/70/10/72/947701072.db2.gz OUVWCGMRSLTTRH-BBATYDOGSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573625567 947701082 /nfs/dbraw/zinc/70/10/82/947701082.db2.gz OUVWCGMRSLTTRH-BBATYDOGSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573625910 947703436 /nfs/dbraw/zinc/70/34/36/947703436.db2.gz QCZFIQCYLJCLOA-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573625910 947703444 /nfs/dbraw/zinc/70/34/44/947703444.db2.gz QCZFIQCYLJCLOA-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573625913 947704467 /nfs/dbraw/zinc/70/44/67/947704467.db2.gz QCZFIQCYLJCLOA-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573625913 947704472 /nfs/dbraw/zinc/70/44/72/947704472.db2.gz QCZFIQCYLJCLOA-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001573625908 947704492 /nfs/dbraw/zinc/70/44/92/947704492.db2.gz PYYSTWPCOGDTKM-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001573625908 947704497 /nfs/dbraw/zinc/70/44/97/947704497.db2.gz PYYSTWPCOGDTKM-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573626367 947708240 /nfs/dbraw/zinc/70/82/40/947708240.db2.gz TZHDDJMDPZGOMK-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573626367 947708248 /nfs/dbraw/zinc/70/82/48/947708248.db2.gz TZHDDJMDPZGOMK-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573626852 947714017 /nfs/dbraw/zinc/71/40/17/947714017.db2.gz WVGWUSGVMWMCJN-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573626852 947714029 /nfs/dbraw/zinc/71/40/29/947714029.db2.gz WVGWUSGVMWMCJN-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C/C(=C\C(=O)NCC1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]12)C1CC1 ZINC001573364617 947722711 /nfs/dbraw/zinc/72/27/11/947722711.db2.gz RMVZEVWPWBIIHL-WECULQKQSA-N -1 3 381.440 0.985 20 0 GCADHM C/C(=C\C(=O)NCC1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]12)C1CC1 ZINC001573364617 947722725 /nfs/dbraw/zinc/72/27/25/947722725.db2.gz RMVZEVWPWBIIHL-WECULQKQSA-N -1 3 381.440 0.985 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573627564 947726823 /nfs/dbraw/zinc/72/68/23/947726823.db2.gz ARJPOHPKOZDILU-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573627564 947726830 /nfs/dbraw/zinc/72/68/30/947726830.db2.gz ARJPOHPKOZDILU-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573627861 947737966 /nfs/dbraw/zinc/73/79/66/947737966.db2.gz GDEUMEFAJCYSRC-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM Cc1cc(C(=O)NCCCS(C)(=O)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259023 947747659 /nfs/dbraw/zinc/74/76/59/947747659.db2.gz FCBKTNFCBLZFKH-UHFFFAOYSA-N -1 3 389.441 0.525 20 0 GCADHM Cc1cc(C(=O)NCCCS(C)(=O)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259023 947747670 /nfs/dbraw/zinc/74/76/70/947747670.db2.gz FCBKTNFCBLZFKH-UHFFFAOYSA-N -1 3 389.441 0.525 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573628458 947755747 /nfs/dbraw/zinc/75/57/47/947755747.db2.gz LGFFAYGYLGJDPD-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573628458 947755757 /nfs/dbraw/zinc/75/57/57/947755757.db2.gz LGFFAYGYLGJDPD-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573628459 947756355 /nfs/dbraw/zinc/75/63/55/947756355.db2.gz LGFFAYGYLGJDPD-ZDUSSCGKSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573628459 947756362 /nfs/dbraw/zinc/75/63/62/947756362.db2.gz LGFFAYGYLGJDPD-ZDUSSCGKSA-N -1 3 386.460 0.354 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573367407 947758838 /nfs/dbraw/zinc/75/88/38/947758838.db2.gz CVNVBZWVSDLHLW-AWEZNQCLSA-N -1 3 389.460 0.585 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573367407 947758846 /nfs/dbraw/zinc/75/88/46/947758846.db2.gz CVNVBZWVSDLHLW-AWEZNQCLSA-N -1 3 389.460 0.585 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573367906 947765411 /nfs/dbraw/zinc/76/54/11/947765411.db2.gz ISZXVGXJEHJNRW-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573367906 947765423 /nfs/dbraw/zinc/76/54/23/947765423.db2.gz ISZXVGXJEHJNRW-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573369906 947778135 /nfs/dbraw/zinc/77/81/35/947778135.db2.gz ZIHSMMAZHCTMSU-UHFFFAOYSA-N -1 3 375.433 0.875 20 0 GCADHM CC(=O)CCCC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573369906 947778142 /nfs/dbraw/zinc/77/81/42/947778142.db2.gz ZIHSMMAZHCTMSU-UHFFFAOYSA-N -1 3 375.433 0.875 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573630230 947788085 /nfs/dbraw/zinc/78/80/85/947788085.db2.gz WXZKYPZQNCBWDP-QWHCGFSZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573630098 947788959 /nfs/dbraw/zinc/78/89/59/947788959.db2.gz QLNFAQMQSWMAER-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573630098 947788963 /nfs/dbraw/zinc/78/89/63/947788963.db2.gz QLNFAQMQSWMAER-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573631809 947804317 /nfs/dbraw/zinc/80/43/17/947804317.db2.gz WZJWRSQUSOBVQY-CMPLNLGQSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573631809 947804330 /nfs/dbraw/zinc/80/43/30/947804330.db2.gz WZJWRSQUSOBVQY-CMPLNLGQSA-N -1 3 386.395 0.656 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573374072 947805059 /nfs/dbraw/zinc/80/50/59/947805059.db2.gz HLSZFCXUNVDION-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573374072 947805071 /nfs/dbraw/zinc/80/50/71/947805071.db2.gz HLSZFCXUNVDION-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573631810 947805061 /nfs/dbraw/zinc/80/50/61/947805061.db2.gz WZJWRSQUSOBVQY-JQWIXIFHSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573631810 947805072 /nfs/dbraw/zinc/80/50/72/947805072.db2.gz WZJWRSQUSOBVQY-JQWIXIFHSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573632060 947806507 /nfs/dbraw/zinc/80/65/07/947806507.db2.gz YQOHUSYOFYZJTR-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573632060 947806515 /nfs/dbraw/zinc/80/65/15/947806515.db2.gz YQOHUSYOFYZJTR-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573375096 947816743 /nfs/dbraw/zinc/81/67/43/947816743.db2.gz QQSYHJIULQEIKA-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573375096 947816749 /nfs/dbraw/zinc/81/67/49/947816749.db2.gz QQSYHJIULQEIKA-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@H](C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573637554 947817384 /nfs/dbraw/zinc/81/73/84/947817384.db2.gz ILMCMYDVIIUZIT-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573637554 947817391 /nfs/dbraw/zinc/81/73/91/947817391.db2.gz ILMCMYDVIIUZIT-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)c1cnn(C)c1 ZINC001573637622 947820048 /nfs/dbraw/zinc/82/00/48/947820048.db2.gz KVCGSVGJCYRBPJ-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)c1cnn(C)c1 ZINC001573637622 947820057 /nfs/dbraw/zinc/82/00/57/947820057.db2.gz KVCGSVGJCYRBPJ-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccc1 ZINC001573637791 947825103 /nfs/dbraw/zinc/82/51/03/947825103.db2.gz QRXFMZGTFIUNHD-CYBMUJFWSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccc1 ZINC001573637791 947825109 /nfs/dbraw/zinc/82/51/09/947825109.db2.gz QRXFMZGTFIUNHD-CYBMUJFWSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001573637798 947825199 /nfs/dbraw/zinc/82/51/99/947825199.db2.gz QUISHRZNTUAFIP-TZMCWYRMSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001573637798 947825207 /nfs/dbraw/zinc/82/52/07/947825207.db2.gz QUISHRZNTUAFIP-TZMCWYRMSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573376356 947836220 /nfs/dbraw/zinc/83/62/20/947836220.db2.gz VCVHRVYQFPJIQI-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573376356 947836226 /nfs/dbraw/zinc/83/62/26/947836226.db2.gz VCVHRVYQFPJIQI-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573376358 947836809 /nfs/dbraw/zinc/83/68/09/947836809.db2.gz VCVHRVYQFPJIQI-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573376358 947836814 /nfs/dbraw/zinc/83/68/14/947836814.db2.gz VCVHRVYQFPJIQI-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573376952 947847149 /nfs/dbraw/zinc/84/71/49/947847149.db2.gz GFBBYLRYKRMXPF-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573376952 947847156 /nfs/dbraw/zinc/84/71/56/947847156.db2.gz GFBBYLRYKRMXPF-SWLSCSKDSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N[C@](C)(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573378044 947852147 /nfs/dbraw/zinc/85/21/47/947852147.db2.gz VAMAJKKWMMQUTE-GOSISDBHSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@](C)(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573378044 947852156 /nfs/dbraw/zinc/85/21/56/947852156.db2.gz VAMAJKKWMMQUTE-GOSISDBHSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573641055 947854633 /nfs/dbraw/zinc/85/46/33/947854633.db2.gz KQQXSMZPKBLQIL-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573641055 947854637 /nfs/dbraw/zinc/85/46/37/947854637.db2.gz KQQXSMZPKBLQIL-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573380351 947858935 /nfs/dbraw/zinc/85/89/35/947858935.db2.gz BXCVORAFVKTTMZ-QGZVFWFLSA-N -1 3 392.485 0.741 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573380351 947858947 /nfs/dbraw/zinc/85/89/47/947858947.db2.gz BXCVORAFVKTTMZ-QGZVFWFLSA-N -1 3 392.485 0.741 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573642239 947861998 /nfs/dbraw/zinc/86/19/98/947861998.db2.gz PGSAQUUCQGHYBG-DGCLKSJQSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573642239 947862004 /nfs/dbraw/zinc/86/20/04/947862004.db2.gz PGSAQUUCQGHYBG-DGCLKSJQSA-N -1 3 389.460 0.834 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573381186 947871029 /nfs/dbraw/zinc/87/10/29/947871029.db2.gz PZZWPIVQLZYMQF-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573381186 947871035 /nfs/dbraw/zinc/87/10/35/947871035.db2.gz PZZWPIVQLZYMQF-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573381365 947872427 /nfs/dbraw/zinc/87/24/27/947872427.db2.gz UDFHHJHOKYTXJS-AWEZNQCLSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573381365 947872430 /nfs/dbraw/zinc/87/24/30/947872430.db2.gz UDFHHJHOKYTXJS-AWEZNQCLSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001573381775 947879869 /nfs/dbraw/zinc/87/98/69/947879869.db2.gz YWGQSWXOUIEGRF-KGLIPLIRSA-N -1 3 391.407 0.216 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001573381775 947879878 /nfs/dbraw/zinc/87/98/78/947879878.db2.gz YWGQSWXOUIEGRF-KGLIPLIRSA-N -1 3 391.407 0.216 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1)n1cncn1 ZINC001573647256 947890339 /nfs/dbraw/zinc/89/03/39/947890339.db2.gz GJYLTSMEOTVVAZ-MBNYWOFBSA-N -1 3 382.432 0.621 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1)n1cncn1 ZINC001573647256 947890344 /nfs/dbraw/zinc/89/03/44/947890344.db2.gz GJYLTSMEOTVVAZ-MBNYWOFBSA-N -1 3 382.432 0.621 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573647663 947901133 /nfs/dbraw/zinc/90/11/33/947901133.db2.gz RMSBZFLIAXSRHE-XHBSWPGZSA-N -1 3 394.439 0.970 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573647663 947901136 /nfs/dbraw/zinc/90/11/36/947901136.db2.gz RMSBZFLIAXSRHE-XHBSWPGZSA-N -1 3 394.439 0.970 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573648287 947906183 /nfs/dbraw/zinc/90/61/83/947906183.db2.gz YIZMQXPDWDUSFA-OASPWFOLSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573648287 947906189 /nfs/dbraw/zinc/90/61/89/947906189.db2.gz YIZMQXPDWDUSFA-OASPWFOLSA-N -1 3 375.433 0.179 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573384659 947906976 /nfs/dbraw/zinc/90/69/76/947906976.db2.gz UVZVNCFVWIENTC-IPYPFGDCSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573384659 947906982 /nfs/dbraw/zinc/90/69/82/947906982.db2.gz UVZVNCFVWIENTC-IPYPFGDCSA-N -1 3 385.428 0.816 20 0 GCADHM C[C@@H](C(=O)N1CCc2c1cccc2-c1nnn[n-]1)S(=O)(=O)C1CCOCC1 ZINC001573648450 947908666 /nfs/dbraw/zinc/90/86/66/947908666.db2.gz ZUMJXMJHGDAWBZ-NSHDSACASA-N -1 3 391.453 0.738 20 0 GCADHM C[C@@H](C(=O)N1CCc2c1cccc2-c1nn[n-]n1)S(=O)(=O)C1CCOCC1 ZINC001573648450 947908668 /nfs/dbraw/zinc/90/86/68/947908668.db2.gz ZUMJXMJHGDAWBZ-NSHDSACASA-N -1 3 391.453 0.738 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001573650270 947909103 /nfs/dbraw/zinc/90/91/03/947909103.db2.gz AIOORZVQFPIJKV-UGFHNGPFSA-N -1 3 379.428 0.588 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001573650270 947909114 /nfs/dbraw/zinc/90/91/14/947909114.db2.gz AIOORZVQFPIJKV-UGFHNGPFSA-N -1 3 379.428 0.588 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573650309 947909506 /nfs/dbraw/zinc/90/95/06/947909506.db2.gz AOXFJSUUULMAAW-WGNDUZGJSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573650309 947909516 /nfs/dbraw/zinc/90/95/16/947909516.db2.gz AOXFJSUUULMAAW-WGNDUZGJSA-N -1 3 383.334 0.580 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573387574 947910999 /nfs/dbraw/zinc/91/09/99/947910999.db2.gz CLBLOIVVTLSOAU-UHFFFAOYSA-N -1 3 375.408 0.127 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573387574 947911004 /nfs/dbraw/zinc/91/10/04/947911004.db2.gz CLBLOIVVTLSOAU-UHFFFAOYSA-N -1 3 375.408 0.127 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573387784 947912731 /nfs/dbraw/zinc/91/27/31/947912731.db2.gz DIKIJDVHORNBSA-HZMBPMFUSA-N -1 3 375.408 0.743 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573387784 947912744 /nfs/dbraw/zinc/91/27/44/947912744.db2.gz DIKIJDVHORNBSA-HZMBPMFUSA-N -1 3 375.408 0.743 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573387789 947913830 /nfs/dbraw/zinc/91/38/30/947913830.db2.gz DIKIJDVHORNBSA-YGRLFVJLSA-N -1 3 375.408 0.743 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573387789 947913834 /nfs/dbraw/zinc/91/38/34/947913834.db2.gz DIKIJDVHORNBSA-YGRLFVJLSA-N -1 3 375.408 0.743 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573388137 947914532 /nfs/dbraw/zinc/91/45/32/947914532.db2.gz IMDQLPASCRHARB-BXUZGUMPSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573388137 947914540 /nfs/dbraw/zinc/91/45/40/947914540.db2.gz IMDQLPASCRHARB-BXUZGUMPSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001573388614 947920628 /nfs/dbraw/zinc/92/06/28/947920628.db2.gz MSEAGDSDTNZFPJ-JOYOIKCWSA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001573388614 947920633 /nfs/dbraw/zinc/92/06/33/947920633.db2.gz MSEAGDSDTNZFPJ-JOYOIKCWSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573651522 947921656 /nfs/dbraw/zinc/92/16/56/947921656.db2.gz NADBSGGJUOSCFY-AGIUHOORSA-N -1 3 380.412 0.683 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573651522 947921662 /nfs/dbraw/zinc/92/16/62/947921662.db2.gz NADBSGGJUOSCFY-AGIUHOORSA-N -1 3 380.412 0.683 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573389009 947922293 /nfs/dbraw/zinc/92/22/93/947922293.db2.gz OWUSXIFOIJTMHG-LBPRGKRZSA-N -1 3 392.489 0.759 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@H](CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573389007 947922318 /nfs/dbraw/zinc/92/23/18/947922318.db2.gz OWUSXIFOIJTMHG-GFCCVEGCSA-N -1 3 392.489 0.759 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573651683 947923447 /nfs/dbraw/zinc/92/34/47/947923447.db2.gz OSTZEVQKJBCULD-LITAXDCLSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573651683 947923451 /nfs/dbraw/zinc/92/34/51/947923451.db2.gz OSTZEVQKJBCULD-LITAXDCLSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573651937 947925845 /nfs/dbraw/zinc/92/58/45/947925845.db2.gz RCQFCZQSYWORMH-UBHSHLNASA-N -1 3 380.412 0.683 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573651937 947925853 /nfs/dbraw/zinc/92/58/53/947925853.db2.gz RCQFCZQSYWORMH-UBHSHLNASA-N -1 3 380.412 0.683 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573652081 947928887 /nfs/dbraw/zinc/92/88/87/947928887.db2.gz AOPXTYZQOBEODO-NWDGAFQWSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573652081 947928888 /nfs/dbraw/zinc/92/88/88/947928888.db2.gz AOPXTYZQOBEODO-NWDGAFQWSA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573390594 947929230 /nfs/dbraw/zinc/92/92/30/947929230.db2.gz YPMZGOSKAMYZJN-ZANVPECISA-N -1 3 376.396 0.138 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573390594 947929237 /nfs/dbraw/zinc/92/92/37/947929237.db2.gz YPMZGOSKAMYZJN-ZANVPECISA-N -1 3 376.396 0.138 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573390591 947930446 /nfs/dbraw/zinc/93/04/46/947930446.db2.gz YPMZGOSKAMYZJN-NOZJJQNGSA-N -1 3 376.396 0.138 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573390591 947930456 /nfs/dbraw/zinc/93/04/56/947930456.db2.gz YPMZGOSKAMYZJN-NOZJJQNGSA-N -1 3 376.396 0.138 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573390710 947931820 /nfs/dbraw/zinc/93/18/20/947931820.db2.gz AWTHHWMILRRDMV-CYBMUJFWSA-N -1 3 390.423 0.672 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573390710 947931828 /nfs/dbraw/zinc/93/18/28/947931828.db2.gz AWTHHWMILRRDMV-CYBMUJFWSA-N -1 3 390.423 0.672 20 0 GCADHM Cc1cnc(CN(C)[C@@H]2CCN(C(=O)Cc3noc(C)c3-c3nnn[n-]3)C2)o1 ZINC000826318471 947932614 /nfs/dbraw/zinc/93/26/14/947932614.db2.gz KUSQHDZXQCXQLG-GFCCVEGCSA-N -1 3 386.416 0.735 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C(C)(C)C ZINC001573652374 947936299 /nfs/dbraw/zinc/93/62/99/947936299.db2.gz YIZMQXPDWDUSFA-BIMULSAOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C(C)(C)C ZINC001573652374 947936305 /nfs/dbraw/zinc/93/63/05/947936305.db2.gz YIZMQXPDWDUSFA-BIMULSAOSA-N -1 3 375.433 0.179 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573391790 947937619 /nfs/dbraw/zinc/93/76/19/947937619.db2.gz KSYVWFDMRQVQMV-CABCVRRESA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573391790 947937630 /nfs/dbraw/zinc/93/76/30/947937630.db2.gz KSYVWFDMRQVQMV-CABCVRRESA-N -1 3 384.444 0.310 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573652469 947940264 /nfs/dbraw/zinc/94/02/64/947940264.db2.gz CLADISVMIXUOEZ-DGCLKSJQSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573652471 947940550 /nfs/dbraw/zinc/94/05/50/947940550.db2.gz CLADISVMIXUOEZ-YPMHNXCESA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001573392126 947941880 /nfs/dbraw/zinc/94/18/80/947941880.db2.gz SYFDSCCOEPQCQB-IUODEOHRSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001573392126 947941885 /nfs/dbraw/zinc/94/18/85/947941885.db2.gz SYFDSCCOEPQCQB-IUODEOHRSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573392111 947942765 /nfs/dbraw/zinc/94/27/65/947942765.db2.gz SFZPYZXLBYMXRA-LRDDRELGSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573392111 947942771 /nfs/dbraw/zinc/94/27/71/947942771.db2.gz SFZPYZXLBYMXRA-LRDDRELGSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)S(C)(=O)=O ZINC001573652586 947943004 /nfs/dbraw/zinc/94/30/04/947943004.db2.gz DXNUSKJPAYGAKU-NOZJJQNGSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)S(C)(=O)=O ZINC001573652586 947943011 /nfs/dbraw/zinc/94/30/11/947943011.db2.gz DXNUSKJPAYGAKU-NOZJJQNGSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573392241 947943523 /nfs/dbraw/zinc/94/35/23/947943523.db2.gz YHGOVTOOAQPLHE-CYBMUJFWSA-N -1 3 389.435 0.911 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573392241 947943532 /nfs/dbraw/zinc/94/35/32/947943532.db2.gz YHGOVTOOAQPLHE-CYBMUJFWSA-N -1 3 389.435 0.911 20 0 GCADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN[C@H](C)c3ccccn3)CC2)o1 ZINC000826323246 947945543 /nfs/dbraw/zinc/94/55/43/947945543.db2.gz WLVVJMXSYHHSQA-GFCCVEGCSA-N -1 3 397.443 0.558 20 0 GCADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN[C@H](C)c3ccccn3)CC2)o1 ZINC000826323246 947945547 /nfs/dbraw/zinc/94/55/47/947945547.db2.gz WLVVJMXSYHHSQA-GFCCVEGCSA-N -1 3 397.443 0.558 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573392409 947946181 /nfs/dbraw/zinc/94/61/81/947946181.db2.gz AQCXGODNFKRLQT-TZMCWYRMSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573392409 947946190 /nfs/dbraw/zinc/94/61/90/947946190.db2.gz AQCXGODNFKRLQT-TZMCWYRMSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573392319 947946513 /nfs/dbraw/zinc/94/65/13/947946513.db2.gz ZTHLSZIIZUSOLP-OAHLLOKOSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573392319 947946520 /nfs/dbraw/zinc/94/65/20/947946520.db2.gz ZTHLSZIIZUSOLP-OAHLLOKOSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573652910 947948220 /nfs/dbraw/zinc/94/82/20/947948220.db2.gz ICKWBKCFNDMFSH-YPMHNXCESA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573652910 947948228 /nfs/dbraw/zinc/94/82/28/947948228.db2.gz ICKWBKCFNDMFSH-YPMHNXCESA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573392483 947948266 /nfs/dbraw/zinc/94/82/66/947948266.db2.gz BJMVARPVFFJSER-UHFFFAOYSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573392483 947948272 /nfs/dbraw/zinc/94/82/72/947948272.db2.gz BJMVARPVFFJSER-UHFFFAOYSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573392640 947948636 /nfs/dbraw/zinc/94/86/36/947948636.db2.gz CYMVURZYECWLEO-GJZGRUSLSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573392640 947948642 /nfs/dbraw/zinc/94/86/42/947948642.db2.gz CYMVURZYECWLEO-GJZGRUSLSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(C)(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573392704 947950295 /nfs/dbraw/zinc/95/02/95/947950295.db2.gz FPTOBJAKOYWMQX-UHFFFAOYSA-N -1 3 390.423 0.672 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(C)(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573392704 947950303 /nfs/dbraw/zinc/95/03/03/947950303.db2.gz FPTOBJAKOYWMQX-UHFFFAOYSA-N -1 3 390.423 0.672 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573392823 947951455 /nfs/dbraw/zinc/95/14/55/947951455.db2.gz FZKWMHUKXNYJTR-GXTWGEPZSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573392823 947951463 /nfs/dbraw/zinc/95/14/63/947951463.db2.gz FZKWMHUKXNYJTR-GXTWGEPZSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001573392849 947952875 /nfs/dbraw/zinc/95/28/75/947952875.db2.gz GPJASADLCPEJBY-CABCVRRESA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001573392849 947952883 /nfs/dbraw/zinc/95/28/83/947952883.db2.gz GPJASADLCPEJBY-CABCVRRESA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573393040 947954319 /nfs/dbraw/zinc/95/43/19/947954319.db2.gz ISOCFBLDUTZQTE-UHFFFAOYSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573393040 947954321 /nfs/dbraw/zinc/95/43/21/947954321.db2.gz ISOCFBLDUTZQTE-UHFFFAOYSA-N -1 3 386.460 0.476 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccs1 ZINC001573653383 947955600 /nfs/dbraw/zinc/95/56/00/947955600.db2.gz LFDDIFGGHGFTDW-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccs1 ZINC001573653383 947955601 /nfs/dbraw/zinc/95/56/01/947955601.db2.gz LFDDIFGGHGFTDW-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573393393 947957028 /nfs/dbraw/zinc/95/70/28/947957028.db2.gz LIEJCYOQPBVNRI-QMTHXVAHSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573393393 947957035 /nfs/dbraw/zinc/95/70/35/947957035.db2.gz LIEJCYOQPBVNRI-QMTHXVAHSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573393596 947958604 /nfs/dbraw/zinc/95/86/04/947958604.db2.gz NWLWQBMPPTWSTI-LLVKDONJSA-N -1 3 392.851 0.654 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573393596 947958609 /nfs/dbraw/zinc/95/86/09/947958609.db2.gz NWLWQBMPPTWSTI-LLVKDONJSA-N -1 3 392.851 0.654 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573393623 947958705 /nfs/dbraw/zinc/95/87/05/947958705.db2.gz OHAFDYMYGDGFNH-IUODEOHRSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573393623 947958712 /nfs/dbraw/zinc/95/87/12/947958712.db2.gz OHAFDYMYGDGFNH-IUODEOHRSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573393746 947960388 /nfs/dbraw/zinc/96/03/88/947960388.db2.gz PQSLRGWWNAATHJ-JSGCOSHPSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573393746 947960391 /nfs/dbraw/zinc/96/03/91/947960391.db2.gz PQSLRGWWNAATHJ-JSGCOSHPSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573394392 947964587 /nfs/dbraw/zinc/96/45/87/947964587.db2.gz SROGUGQFGRFNNQ-CQSZACIVSA-N -1 3 386.460 0.333 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573394392 947964593 /nfs/dbraw/zinc/96/45/93/947964593.db2.gz SROGUGQFGRFNNQ-CQSZACIVSA-N -1 3 386.460 0.333 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1C ZINC001573395487 947969590 /nfs/dbraw/zinc/96/95/90/947969590.db2.gz YXNQEBHDMSQFDD-TVQRCGJNSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)[C@@H]1C ZINC001573395487 947969599 /nfs/dbraw/zinc/96/95/99/947969599.db2.gz YXNQEBHDMSQFDD-TVQRCGJNSA-N -1 3 392.851 0.795 20 0 GCADHM Cc1nnc(N2CCN(c3cncc4ncnn43)CC2)c(-c2nnn[n-]2)c1C ZINC000826336428 947972444 /nfs/dbraw/zinc/97/24/44/947972444.db2.gz XRXKQNOLVYWRCC-UHFFFAOYSA-N -1 3 378.404 0.038 20 0 GCADHM Cc1nnc(N2CCN(c3cncc4ncnn43)CC2)c(-c2nn[n-]n2)c1C ZINC000826336428 947972448 /nfs/dbraw/zinc/97/24/48/947972448.db2.gz XRXKQNOLVYWRCC-UHFFFAOYSA-N -1 3 378.404 0.038 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001573397617 947974546 /nfs/dbraw/zinc/97/45/46/947974546.db2.gz CVZKADSZHRMESV-CFVMTHIKSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001573397617 947974553 /nfs/dbraw/zinc/97/45/53/947974553.db2.gz CVZKADSZHRMESV-CFVMTHIKSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573397915 947976389 /nfs/dbraw/zinc/97/63/89/947976389.db2.gz GFAYRIWTODGMDX-SECBINFHSA-N -1 3 380.840 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573397915 947976401 /nfs/dbraw/zinc/97/64/01/947976401.db2.gz GFAYRIWTODGMDX-SECBINFHSA-N -1 3 380.840 0.700 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573655247 947977445 /nfs/dbraw/zinc/97/74/45/947977445.db2.gz WRDMIDTWVRFOPL-DGCLKSJQSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573655247 947977449 /nfs/dbraw/zinc/97/74/49/947977449.db2.gz WRDMIDTWVRFOPL-DGCLKSJQSA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001573398181 947978112 /nfs/dbraw/zinc/97/81/12/947978112.db2.gz IBFPLJJSYWBLEC-AGUYFDCRSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001573398181 947978119 /nfs/dbraw/zinc/97/81/19/947978119.db2.gz IBFPLJJSYWBLEC-AGUYFDCRSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573398153 947978332 /nfs/dbraw/zinc/97/83/32/947978332.db2.gz HJWSXCXRAXFGHQ-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573398153 947978338 /nfs/dbraw/zinc/97/83/38/947978338.db2.gz HJWSXCXRAXFGHQ-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573655753 947980049 /nfs/dbraw/zinc/98/00/49/947980049.db2.gz YSEQKOZSPGLQOO-GXFFZTMASA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573655753 947980054 /nfs/dbraw/zinc/98/00/54/947980054.db2.gz YSEQKOZSPGLQOO-GXFFZTMASA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1nc(C)ccc1-c1nnn[n-]1)C(C)(C)C ZINC001573398316 947980180 /nfs/dbraw/zinc/98/01/80/947980180.db2.gz JFCZKTCXJWEHBB-CQSZACIVSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1nc(C)ccc1-c1nn[n-]n1)C(C)(C)C ZINC001573398316 947980189 /nfs/dbraw/zinc/98/01/89/947980189.db2.gz JFCZKTCXJWEHBB-CQSZACIVSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(C)CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573398220 947980783 /nfs/dbraw/zinc/98/07/83/947980783.db2.gz IUXZDULFZOLDIV-UHFFFAOYSA-N -1 3 392.489 0.585 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cncnc1 ZINC001573655975 947983654 /nfs/dbraw/zinc/98/36/54/947983654.db2.gz ARRXWFGMZDUEMJ-JTQLQIEISA-N -1 3 381.400 0.167 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cncnc1 ZINC001573655975 947983664 /nfs/dbraw/zinc/98/36/64/947983664.db2.gz ARRXWFGMZDUEMJ-JTQLQIEISA-N -1 3 381.400 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@](C)(CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573398565 947984937 /nfs/dbraw/zinc/98/49/37/947984937.db2.gz MZYMFSQUOUUYAZ-MRXNPFEDSA-N -1 3 392.489 0.807 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573656204 947985317 /nfs/dbraw/zinc/98/53/17/947985317.db2.gz DKAPLGNRPIPZIA-SJCJKPOMSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573656696 947992032 /nfs/dbraw/zinc/99/20/32/947992032.db2.gz IBLZBRGBBACWSZ-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573656696 947992036 /nfs/dbraw/zinc/99/20/36/947992036.db2.gz IBLZBRGBBACWSZ-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573399812 947994187 /nfs/dbraw/zinc/99/41/87/947994187.db2.gz YUPFOPVNBTVVLJ-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573399812 947994194 /nfs/dbraw/zinc/99/41/94/947994194.db2.gz YUPFOPVNBTVVLJ-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573399815 947994205 /nfs/dbraw/zinc/99/42/05/947994205.db2.gz YUPFOPVNBTVVLJ-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573399815 947994212 /nfs/dbraw/zinc/99/42/12/947994212.db2.gz YUPFOPVNBTVVLJ-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)[C@H](C)C1 ZINC001573401134 947996518 /nfs/dbraw/zinc/99/65/18/947996518.db2.gz AAHWXGPSLZPCOB-BXUZGUMPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)[C@H](C)C1 ZINC001573401134 947996522 /nfs/dbraw/zinc/99/65/22/947996522.db2.gz AAHWXGPSLZPCOB-BXUZGUMPSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573401787 947998176 /nfs/dbraw/zinc/99/81/76/947998176.db2.gz CQWNKLWAYNJCCP-RISCZKNCSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573401787 947998184 /nfs/dbraw/zinc/99/81/84/947998184.db2.gz CQWNKLWAYNJCCP-RISCZKNCSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573657656 948003608 /nfs/dbraw/zinc/00/36/08/948003608.db2.gz OGBZQDFGHWJXBA-APPDUMDISA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573657656 948003614 /nfs/dbraw/zinc/00/36/14/948003614.db2.gz OGBZQDFGHWJXBA-APPDUMDISA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573657950 948004290 /nfs/dbraw/zinc/00/42/90/948004290.db2.gz QFFASOFWXOAYIY-QLJPJBMISA-N -1 3 386.395 0.339 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573657950 948004300 /nfs/dbraw/zinc/00/43/00/948004300.db2.gz QFFASOFWXOAYIY-QLJPJBMISA-N -1 3 386.395 0.339 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cncnc1 ZINC001573657952 948005492 /nfs/dbraw/zinc/00/54/92/948005492.db2.gz QFROPUUHUZKFHR-SNVBAGLBSA-N -1 3 381.400 0.167 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cncnc1 ZINC001573657952 948005504 /nfs/dbraw/zinc/00/55/04/948005504.db2.gz QFROPUUHUZKFHR-SNVBAGLBSA-N -1 3 381.400 0.167 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cccnc1 ZINC001573658118 948006786 /nfs/dbraw/zinc/00/67/86/948006786.db2.gz QKZPQFALCXXICO-NSHDSACASA-N -1 3 380.412 0.772 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cccnc1 ZINC001573658118 948006791 /nfs/dbraw/zinc/00/67/91/948006791.db2.gz QKZPQFALCXXICO-NSHDSACASA-N -1 3 380.412 0.772 20 0 GCADHM Cc1onc(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826344559 948010180 /nfs/dbraw/zinc/01/01/80/948010180.db2.gz KZWVVRFMBZFIII-INIZCTEOSA-N -1 3 397.439 0.583 20 0 GCADHM Cc1onc(CC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826344560 948010215 /nfs/dbraw/zinc/01/02/15/948010215.db2.gz KZWVVRFMBZFIII-MRXNPFEDSA-N -1 3 397.439 0.583 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cccnc1 ZINC001573658684 948011092 /nfs/dbraw/zinc/01/10/92/948011092.db2.gz SXGYFSCEIULASP-LLVKDONJSA-N -1 3 380.412 0.772 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cccnc1 ZINC001573658684 948011098 /nfs/dbraw/zinc/01/10/98/948011098.db2.gz SXGYFSCEIULASP-LLVKDONJSA-N -1 3 380.412 0.772 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573403474 948011193 /nfs/dbraw/zinc/01/11/93/948011193.db2.gz NDSOBELHAUPYJQ-RYUDHWBXSA-N -1 3 392.489 0.949 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573658662 948012108 /nfs/dbraw/zinc/01/21/08/948012108.db2.gz STBONJAIHWNHMN-KPZWWZAWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573658662 948012115 /nfs/dbraw/zinc/01/21/15/948012115.db2.gz STBONJAIHWNHMN-KPZWWZAWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573658697 948012162 /nfs/dbraw/zinc/01/21/62/948012162.db2.gz TUOKPVNMQHQZKD-XIKOKIGWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573658697 948012172 /nfs/dbraw/zinc/01/21/72/948012172.db2.gz TUOKPVNMQHQZKD-XIKOKIGWSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573403736 948012679 /nfs/dbraw/zinc/01/26/79/948012679.db2.gz OAENSHNACAEMNP-UONOGXRCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573403736 948012687 /nfs/dbraw/zinc/01/26/87/948012687.db2.gz OAENSHNACAEMNP-UONOGXRCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573403727 948013057 /nfs/dbraw/zinc/01/30/57/948013057.db2.gz NZXCLPYTYZMFAM-BXKDBHETSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)[C@H]1C ZINC001573403767 948013935 /nfs/dbraw/zinc/01/39/35/948013935.db2.gz OGTPCKGKLTUOLA-WFASDCNBSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)[C@H]1C ZINC001573403767 948013939 /nfs/dbraw/zinc/01/39/39/948013939.db2.gz OGTPCKGKLTUOLA-WFASDCNBSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573404141 948014929 /nfs/dbraw/zinc/01/49/29/948014929.db2.gz QHOCWVAIEJUTDV-GOSISDBHSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573404141 948014936 /nfs/dbraw/zinc/01/49/36/948014936.db2.gz QHOCWVAIEJUTDV-GOSISDBHSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573659598 948015597 /nfs/dbraw/zinc/01/55/97/948015597.db2.gz WUGAZBIDCITBHQ-SGTLLEGYSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573659598 948015604 /nfs/dbraw/zinc/01/56/04/948015604.db2.gz WUGAZBIDCITBHQ-SGTLLEGYSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573404207 948018533 /nfs/dbraw/zinc/01/85/33/948018533.db2.gz AKLVSONAQPMCLX-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573404207 948018541 /nfs/dbraw/zinc/01/85/41/948018541.db2.gz AKLVSONAQPMCLX-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CCC(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573404355 948023017 /nfs/dbraw/zinc/02/30/17/948023017.db2.gz SKFKSBJKDWXNTA-UHFFFAOYSA-N -1 3 392.489 0.949 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573662397 948024822 /nfs/dbraw/zinc/02/48/22/948024822.db2.gz CMRJXEUOFLEMLQ-YGRLFVJLSA-N -1 3 386.460 0.302 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573404477 948026704 /nfs/dbraw/zinc/02/67/04/948026704.db2.gz FVZRYQKLYVYDOB-LBPRGKRZSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573404477 948026712 /nfs/dbraw/zinc/02/67/12/948026712.db2.gz FVZRYQKLYVYDOB-LBPRGKRZSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573404625 948028720 /nfs/dbraw/zinc/02/87/20/948028720.db2.gz HNQSZUJPHGYAHX-LBPRGKRZSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573404625 948028728 /nfs/dbraw/zinc/02/87/28/948028728.db2.gz HNQSZUJPHGYAHX-LBPRGKRZSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N(C)CC(=O)NCCC1(CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573404659 948030986 /nfs/dbraw/zinc/03/09/86/948030986.db2.gz IUTNBICDKFTBHW-UHFFFAOYSA-N -1 3 392.489 0.808 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573404807 948033447 /nfs/dbraw/zinc/03/34/47/948033447.db2.gz WPONLSHCOXWHND-KBPBESRZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573404807 948033453 /nfs/dbraw/zinc/03/34/53/948033453.db2.gz WPONLSHCOXWHND-KBPBESRZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573404910 948035333 /nfs/dbraw/zinc/03/53/33/948035333.db2.gz KFWWQSFJGFMYHZ-UHFFFAOYSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573404910 948035347 /nfs/dbraw/zinc/03/53/47/948035347.db2.gz KFWWQSFJGFMYHZ-UHFFFAOYSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001573404913 948035908 /nfs/dbraw/zinc/03/59/08/948035908.db2.gz KGTCLOMUCMEGET-XYYAHUGASA-N -1 3 387.419 0.283 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001573404913 948035920 /nfs/dbraw/zinc/03/59/20/948035920.db2.gz KGTCLOMUCMEGET-XYYAHUGASA-N -1 3 387.419 0.283 20 0 GCADHM Cc1onc(CC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c1-c1nnn[n-]1 ZINC000826346126 948036556 /nfs/dbraw/zinc/03/65/56/948036556.db2.gz CYAZJLBXRJIPOE-TZMCWYRMSA-N -1 3 375.433 0.465 20 0 GCADHM Cc1onc(CC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c1-c1nn[n-]n1 ZINC000826346126 948036562 /nfs/dbraw/zinc/03/65/62/948036562.db2.gz CYAZJLBXRJIPOE-TZMCWYRMSA-N -1 3 375.433 0.465 20 0 GCADHM Cc1onc(CC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)c1-c1nnn[n-]1 ZINC000826346123 948036667 /nfs/dbraw/zinc/03/66/67/948036667.db2.gz CYAZJLBXRJIPOE-GXTWGEPZSA-N -1 3 375.433 0.465 20 0 GCADHM Cc1onc(CC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)c1-c1nn[n-]n1 ZINC000826346123 948036673 /nfs/dbraw/zinc/03/66/73/948036673.db2.gz CYAZJLBXRJIPOE-GXTWGEPZSA-N -1 3 375.433 0.465 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573405247 948039179 /nfs/dbraw/zinc/03/91/79/948039179.db2.gz NNHXBYQOOMYZOP-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573405247 948039184 /nfs/dbraw/zinc/03/91/84/948039184.db2.gz NNHXBYQOOMYZOP-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573405203 948039849 /nfs/dbraw/zinc/03/98/49/948039849.db2.gz MWKKGXZRAMBDKP-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573405203 948039856 /nfs/dbraw/zinc/03/98/56/948039856.db2.gz MWKKGXZRAMBDKP-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573405229 948040045 /nfs/dbraw/zinc/04/00/45/948040045.db2.gz ZZWMIXIHYQWQCF-VXGBXAGGSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573405205 948040357 /nfs/dbraw/zinc/04/03/57/948040357.db2.gz MWKKGXZRAMBDKP-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573405205 948040366 /nfs/dbraw/zinc/04/03/66/948040366.db2.gz MWKKGXZRAMBDKP-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573663797 948040696 /nfs/dbraw/zinc/04/06/96/948040696.db2.gz ADUOUHXCBMAQMI-LBPRGKRZSA-N -1 3 388.476 0.646 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573405735 948046607 /nfs/dbraw/zinc/04/66/07/948046607.db2.gz VLVOMEXVBUHSIE-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001573405735 948046616 /nfs/dbraw/zinc/04/66/16/948046616.db2.gz VLVOMEXVBUHSIE-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573664270 948050250 /nfs/dbraw/zinc/05/02/50/948050250.db2.gz SUFDKWCQCQZBDK-UEKVPHQBSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573664270 948050256 /nfs/dbraw/zinc/05/02/56/948050256.db2.gz SUFDKWCQCQZBDK-UEKVPHQBSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573664217 948050672 /nfs/dbraw/zinc/05/06/72/948050672.db2.gz CYZGOGORTRHKEI-NWDGAFQWSA-N -1 3 387.473 0.862 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573406363 948050996 /nfs/dbraw/zinc/05/09/96/948050996.db2.gz BJWNVPUOFPAUQB-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573406363 948051004 /nfs/dbraw/zinc/05/10/04/948051004.db2.gz BJWNVPUOFPAUQB-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573406597 948056649 /nfs/dbraw/zinc/05/66/49/948056649.db2.gz NEUHLTNMJAAVTF-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573406597 948056654 /nfs/dbraw/zinc/05/66/54/948056654.db2.gz NEUHLTNMJAAVTF-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1CC1 ZINC001573664603 948057267 /nfs/dbraw/zinc/05/72/67/948057267.db2.gz VSTXRYGBBNFYMQ-VOJFVSQTSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@H](C(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1CC1 ZINC001573664603 948057276 /nfs/dbraw/zinc/05/72/76/948057276.db2.gz VSTXRYGBBNFYMQ-VOJFVSQTSA-N -1 3 389.435 0.894 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573406767 948057824 /nfs/dbraw/zinc/05/78/24/948057824.db2.gz RORQFWAYKXBUQH-UMSPYCQHSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573406767 948057835 /nfs/dbraw/zinc/05/78/35/948057835.db2.gz RORQFWAYKXBUQH-UMSPYCQHSA-N -1 3 392.851 0.700 20 0 GCADHM Cc1onc(CC(=O)NCc2ccccc2CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826347696 948058941 /nfs/dbraw/zinc/05/89/41/948058941.db2.gz ALXVOTPZKUQMEW-UHFFFAOYSA-N -1 3 397.439 0.854 20 0 GCADHM Cc1onc(CC(=O)NCc2ccccc2CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826347696 948058949 /nfs/dbraw/zinc/05/89/49/948058949.db2.gz ALXVOTPZKUQMEW-UHFFFAOYSA-N -1 3 397.439 0.854 20 0 GCADHM Cc1onc(CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1-c1nnn[n-]1 ZINC000826347654 948059283 /nfs/dbraw/zinc/05/92/83/948059283.db2.gz YWRGHHHDHXNRBZ-INIZCTEOSA-N -1 3 393.473 0.030 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573664735 948059933 /nfs/dbraw/zinc/05/99/33/948059933.db2.gz GJFPGJRRVAMLPC-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573664735 948059941 /nfs/dbraw/zinc/05/99/41/948059941.db2.gz GJFPGJRRVAMLPC-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573408645 948068041 /nfs/dbraw/zinc/06/80/41/948068041.db2.gz JXJLWRYPAMKQDB-XBFCOCLRSA-N -1 3 389.485 0.628 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573408910 948072878 /nfs/dbraw/zinc/07/28/78/948072878.db2.gz OPKZVVRFKFDTMN-XBFCOCLRSA-N -1 3 387.419 0.710 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573408910 948072889 /nfs/dbraw/zinc/07/28/89/948072889.db2.gz OPKZVVRFKFDTMN-XBFCOCLRSA-N -1 3 387.419 0.710 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573409656 948074602 /nfs/dbraw/zinc/07/46/02/948074602.db2.gz VCJKPWXKDCCURG-MNOVXSKESA-N -1 3 390.448 0.076 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573409656 948074608 /nfs/dbraw/zinc/07/46/08/948074608.db2.gz VCJKPWXKDCCURG-MNOVXSKESA-N -1 3 390.448 0.076 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573409705 948074626 /nfs/dbraw/zinc/07/46/26/948074626.db2.gz VMUZACABSDYTIZ-MNOVXSKESA-N -1 3 390.448 0.076 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573409705 948074636 /nfs/dbraw/zinc/07/46/36/948074636.db2.gz VMUZACABSDYTIZ-MNOVXSKESA-N -1 3 390.448 0.076 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573409712 948074907 /nfs/dbraw/zinc/07/49/07/948074907.db2.gz VMUZACABSDYTIZ-WDEREUQCSA-N -1 3 390.448 0.076 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573409712 948074916 /nfs/dbraw/zinc/07/49/16/948074916.db2.gz VMUZACABSDYTIZ-WDEREUQCSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573665980 948079117 /nfs/dbraw/zinc/07/91/17/948079117.db2.gz ODBCBLQQFJMWFO-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573665980 948079121 /nfs/dbraw/zinc/07/91/21/948079121.db2.gz ODBCBLQQFJMWFO-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573413353 948080485 /nfs/dbraw/zinc/08/04/85/948080485.db2.gz CEPCWONMOJAWRL-CQSZACIVSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573413353 948080493 /nfs/dbraw/zinc/08/04/93/948080493.db2.gz CEPCWONMOJAWRL-CQSZACIVSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCN(Cc3cc(F)ccc3-c3nnn[n-]3)CC2)C1 ZINC001573413411 948082368 /nfs/dbraw/zinc/08/23/68/948082368.db2.gz DIYVNRRBITUKEJ-UHFFFAOYSA-N -1 3 387.419 0.128 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)C1 ZINC001573413411 948082377 /nfs/dbraw/zinc/08/23/77/948082377.db2.gz DIYVNRRBITUKEJ-UHFFFAOYSA-N -1 3 387.419 0.128 20 0 GCADHM C[C@@H](C(=O)NC1CCC(Nc2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573666239 948083754 /nfs/dbraw/zinc/08/37/54/948083754.db2.gz RKFNZPSYHXQUQP-HIFPTAJRSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@@H](C(=O)NC1CCC(Nc2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573666239 948083763 /nfs/dbraw/zinc/08/37/63/948083763.db2.gz RKFNZPSYHXQUQP-HIFPTAJRSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573666256 948084435 /nfs/dbraw/zinc/08/44/35/948084435.db2.gz RQUIMMSSUUSUDX-BXUZGUMPSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573666256 948084444 /nfs/dbraw/zinc/08/44/44/948084444.db2.gz RQUIMMSSUUSUDX-BXUZGUMPSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CCCCC1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573666594 948087254 /nfs/dbraw/zinc/08/72/54/948087254.db2.gz UGKLIKGCXOYZKX-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573414007 948087576 /nfs/dbraw/zinc/08/75/76/948087576.db2.gz IMSLGJYEZTVTPR-HNNXBMFYSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573414007 948087580 /nfs/dbraw/zinc/08/75/80/948087580.db2.gz IMSLGJYEZTVTPR-HNNXBMFYSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573666647 948089315 /nfs/dbraw/zinc/08/93/15/948089315.db2.gz UTJLCTQKLXXOME-VXGBXAGGSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573666647 948089319 /nfs/dbraw/zinc/08/93/19/948089319.db2.gz UTJLCTQKLXXOME-VXGBXAGGSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573666635 948089399 /nfs/dbraw/zinc/08/93/99/948089399.db2.gz USRPNAHNGYPTIX-RISCZKNCSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573666635 948089407 /nfs/dbraw/zinc/08/94/07/948089407.db2.gz USRPNAHNGYPTIX-RISCZKNCSA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CC(Nc3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573414206 948089740 /nfs/dbraw/zinc/08/97/40/948089740.db2.gz IXOHOBLEMGOUFC-UHFFFAOYSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CC(Nc3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573414206 948089756 /nfs/dbraw/zinc/08/97/56/948089756.db2.gz IXOHOBLEMGOUFC-UHFFFAOYSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCN(c3cccc(F)c3-c3nnn[n-]3)CC2)C1 ZINC001573414403 948092471 /nfs/dbraw/zinc/09/24/71/948092471.db2.gz LQUPYVQEMNNZOW-UHFFFAOYSA-N -1 3 387.419 0.523 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001573414403 948092482 /nfs/dbraw/zinc/09/24/82/948092482.db2.gz LQUPYVQEMNNZOW-UHFFFAOYSA-N -1 3 387.419 0.523 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3snc(C)c3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001573414464 948092506 /nfs/dbraw/zinc/09/25/06/948092506.db2.gz MOZOJSJIUBEMMS-UFBFGSQYSA-N -1 3 390.473 0.511 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573666849 948092822 /nfs/dbraw/zinc/09/28/22/948092822.db2.gz WUNNIOBDNCBODW-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573666849 948092832 /nfs/dbraw/zinc/09/28/32/948092832.db2.gz WUNNIOBDNCBODW-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3snc(C)c3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573414461 948093005 /nfs/dbraw/zinc/09/30/05/948093005.db2.gz MOZOJSJIUBEMMS-PELKAZGASA-N -1 3 390.473 0.511 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573667092 948093529 /nfs/dbraw/zinc/09/35/29/948093529.db2.gz XVCLFIBCDXSETB-YPMHNXCESA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573667092 948093536 /nfs/dbraw/zinc/09/35/36/948093536.db2.gz XVCLFIBCDXSETB-YPMHNXCESA-N -1 3 380.412 0.724 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)C1 ZINC001573414514 948095463 /nfs/dbraw/zinc/09/54/63/948095463.db2.gz NKBNRNLDNFBECW-UHFFFAOYSA-N -1 3 384.444 0.087 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)C1 ZINC001573414514 948095474 /nfs/dbraw/zinc/09/54/74/948095474.db2.gz NKBNRNLDNFBECW-UHFFFAOYSA-N -1 3 384.444 0.087 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573667162 948097136 /nfs/dbraw/zinc/09/71/36/948097136.db2.gz YMPFKCGFAPCTIH-OCCSQVGLSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573667162 948097145 /nfs/dbraw/zinc/09/71/45/948097145.db2.gz YMPFKCGFAPCTIH-OCCSQVGLSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573414719 948098058 /nfs/dbraw/zinc/09/80/58/948098058.db2.gz OIGCCSNZFPOTIW-AWEZNQCLSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573414719 948098067 /nfs/dbraw/zinc/09/80/67/948098067.db2.gz OIGCCSNZFPOTIW-AWEZNQCLSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573667160 948098023 /nfs/dbraw/zinc/09/80/23/948098023.db2.gz YMPFKCGFAPCTIH-GXTWGEPZSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573667160 948098035 /nfs/dbraw/zinc/09/80/35/948098035.db2.gz YMPFKCGFAPCTIH-GXTWGEPZSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001573415150 948101263 /nfs/dbraw/zinc/10/12/63/948101263.db2.gz UPPYLQTUVPNUCI-UHFFFAOYSA-N -1 3 375.458 0.051 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@H](CNc2ncccc2-c2nnn[n-]2)C2CC2)C1 ZINC001573415228 948103298 /nfs/dbraw/zinc/10/32/98/948103298.db2.gz PQPJHOOIYOXVDX-OAHLLOKOSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@H](CNc2ncccc2-c2nn[n-]n2)C2CC2)C1 ZINC001573415228 948103303 /nfs/dbraw/zinc/10/33/03/948103303.db2.gz PQPJHOOIYOXVDX-OAHLLOKOSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001573415308 948105137 /nfs/dbraw/zinc/10/51/37/948105137.db2.gz WYGWXXSQRSRYAF-SMDDNHRTSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001573415308 948105140 /nfs/dbraw/zinc/10/51/40/948105140.db2.gz WYGWXXSQRSRYAF-SMDDNHRTSA-N -1 3 384.444 0.450 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573671310 948106353 /nfs/dbraw/zinc/10/63/53/948106353.db2.gz DKCWBJJYWBAIGZ-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573671310 948106358 /nfs/dbraw/zinc/10/63/58/948106358.db2.gz DKCWBJJYWBAIGZ-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ncccc3-c3nnn[n-]3)C(C)(C)C2)C1 ZINC001573415331 948107701 /nfs/dbraw/zinc/10/77/01/948107701.db2.gz XNDCISMOICFFSL-AWEZNQCLSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ncccc3-c3nn[n-]n3)C(C)(C)C2)C1 ZINC001573415331 948107704 /nfs/dbraw/zinc/10/77/04/948107704.db2.gz XNDCISMOICFFSL-AWEZNQCLSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CC2(C)C)C1 ZINC001573418248 948116298 /nfs/dbraw/zinc/11/62/98/948116298.db2.gz FQKWMRARFJRAQS-HNNXBMFYSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CC2(C)C)C1 ZINC001573418248 948116304 /nfs/dbraw/zinc/11/63/04/948116304.db2.gz FQKWMRARFJRAQS-HNNXBMFYSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573418280 948117480 /nfs/dbraw/zinc/11/74/80/948117480.db2.gz FUKLVWGYMFQOKU-SFYZADRCSA-N -1 3 378.462 0.415 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)[C@H](C)C2)C1 ZINC001573418569 948117710 /nfs/dbraw/zinc/11/77/10/948117710.db2.gz HALHOFBKGLILID-RISCZKNCSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)[C@H](C)C2)C1 ZINC001573418569 948117717 /nfs/dbraw/zinc/11/77/17/948117717.db2.gz HALHOFBKGLILID-RISCZKNCSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573418612 948119366 /nfs/dbraw/zinc/11/93/66/948119366.db2.gz HMIIIYQFHUWCEY-DOMZBBRYSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573418612 948119371 /nfs/dbraw/zinc/11/93/71/948119371.db2.gz HMIIIYQFHUWCEY-DOMZBBRYSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573418921 948119670 /nfs/dbraw/zinc/11/96/70/948119670.db2.gz HXWTYDBAEQRBOG-SECBINFHSA-N -1 3 392.851 0.334 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573418921 948119673 /nfs/dbraw/zinc/11/96/73/948119673.db2.gz HXWTYDBAEQRBOG-SECBINFHSA-N -1 3 392.851 0.334 20 0 GCADHM Cn1cc(CC(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826360445 948121175 /nfs/dbraw/zinc/12/11/75/948121175.db2.gz KLDNYVIRKAZNSS-HNNXBMFYSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1cc(CC(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826360445 948121182 /nfs/dbraw/zinc/12/11/82/948121182.db2.gz KLDNYVIRKAZNSS-HNNXBMFYSA-N -1 3 381.396 0.882 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001573676148 948124233 /nfs/dbraw/zinc/12/42/33/948124233.db2.gz RWRNZWVRVOUYNZ-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001573676148 948124237 /nfs/dbraw/zinc/12/42/37/948124237.db2.gz RWRNZWVRVOUYNZ-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](C)N(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573419606 948125623 /nfs/dbraw/zinc/12/56/23/948125623.db2.gz NNARWTDHGAEVST-BXUZGUMPSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](C)N(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573419606 948125630 /nfs/dbraw/zinc/12/56/30/948125630.db2.gz NNARWTDHGAEVST-BXUZGUMPSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573419746 948127033 /nfs/dbraw/zinc/12/70/33/948127033.db2.gz QXFDQELDOYTIAJ-RKDXNWHRSA-N -1 3 376.396 0.184 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573419746 948127042 /nfs/dbraw/zinc/12/70/42/948127042.db2.gz QXFDQELDOYTIAJ-RKDXNWHRSA-N -1 3 376.396 0.184 20 0 GCADHM CC(=O)N1CC(C(=O)NC2(C)CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573419742 948127397 /nfs/dbraw/zinc/12/73/97/948127397.db2.gz QWZIQXGEIZIIFO-UHFFFAOYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)NC2(C)CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573419742 948127402 /nfs/dbraw/zinc/12/74/02/948127402.db2.gz QWZIQXGEIZIIFO-UHFFFAOYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)NC2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)C1 ZINC001573419802 948128642 /nfs/dbraw/zinc/12/86/42/948128642.db2.gz SQANTWBHRXRVSO-UHFFFAOYSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)NC2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)C1 ZINC001573419802 948128649 /nfs/dbraw/zinc/12/86/49/948128649.db2.gz SQANTWBHRXRVSO-UHFFFAOYSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573419856 948130864 /nfs/dbraw/zinc/13/08/64/948130864.db2.gz ULERAHQWLNDPPS-SNVBAGLBSA-N -1 3 375.408 0.648 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573419856 948130869 /nfs/dbraw/zinc/13/08/69/948130869.db2.gz ULERAHQWLNDPPS-SNVBAGLBSA-N -1 3 375.408 0.648 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573677350 948134151 /nfs/dbraw/zinc/13/41/51/948134151.db2.gz CQCVIYAFGSIJLD-JOYOIKCWSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573677350 948134157 /nfs/dbraw/zinc/13/41/57/948134157.db2.gz CQCVIYAFGSIJLD-JOYOIKCWSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001573420177 948134569 /nfs/dbraw/zinc/13/45/69/948134569.db2.gz YPZLOVGHXGAXEZ-HNNXBMFYSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573420132 948134793 /nfs/dbraw/zinc/13/47/93/948134793.db2.gz YCAFAXGNGBGYQQ-DTWKUNHWSA-N -1 3 392.851 0.699 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573420132 948134796 /nfs/dbraw/zinc/13/47/96/948134796.db2.gz YCAFAXGNGBGYQQ-DTWKUNHWSA-N -1 3 392.851 0.699 20 0 GCADHM Cn1ccc(CC(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826362694 948135491 /nfs/dbraw/zinc/13/54/91/948135491.db2.gz DOCGIAWFOARIAR-OAHLLOKOSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1ccc(CC(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826362694 948135499 /nfs/dbraw/zinc/13/54/99/948135499.db2.gz DOCGIAWFOARIAR-OAHLLOKOSA-N -1 3 381.396 0.882 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573420972 948136031 /nfs/dbraw/zinc/13/60/31/948136031.db2.gz ATUTYCZBXOKZPI-CYBMUJFWSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573420972 948136037 /nfs/dbraw/zinc/13/60/37/948136037.db2.gz ATUTYCZBXOKZPI-CYBMUJFWSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H]3CCN(c4ncccc4-c4nnn[n-]4)C[C@H]3C2)C1 ZINC001573420264 948136489 /nfs/dbraw/zinc/13/64/89/948136489.db2.gz ZUPPNLCIICFQHP-KGLIPLIRSA-N -1 3 396.455 0.025 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H]3CCN(c4ncccc4-c4nn[n-]n4)C[C@H]3C2)C1 ZINC001573420264 948136494 /nfs/dbraw/zinc/13/64/94/948136494.db2.gz ZUPPNLCIICFQHP-KGLIPLIRSA-N -1 3 396.455 0.025 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000826363947 948138149 /nfs/dbraw/zinc/13/81/49/948138149.db2.gz GLWUOWYFDXNWBP-AWEZNQCLSA-N -1 3 380.412 0.521 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000826363947 948138156 /nfs/dbraw/zinc/13/81/56/948138156.db2.gz GLWUOWYFDXNWBP-AWEZNQCLSA-N -1 3 380.412 0.521 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826364022 948139843 /nfs/dbraw/zinc/13/98/43/948139843.db2.gz IIMROAPRIDQGHU-CQSZACIVSA-N -1 3 395.427 0.913 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826364022 948139848 /nfs/dbraw/zinc/13/98/48/948139848.db2.gz IIMROAPRIDQGHU-CQSZACIVSA-N -1 3 395.427 0.913 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C(C)C)C1 ZINC001573421576 948140699 /nfs/dbraw/zinc/14/06/99/948140699.db2.gz GZMLXOQHPIEHGH-OAHLLOKOSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C(C)C)C1 ZINC001573421576 948140704 /nfs/dbraw/zinc/14/07/04/948140704.db2.gz GZMLXOQHPIEHGH-OAHLLOKOSA-N -1 3 386.460 0.601 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)cs2)C1=O ZINC000826364506 948142313 /nfs/dbraw/zinc/14/23/13/948142313.db2.gz YIKPFMBWUKBPLV-NSHDSACASA-N -1 3 386.441 0.583 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)cs2)C1=O ZINC000826364506 948142320 /nfs/dbraw/zinc/14/23/20/948142320.db2.gz YIKPFMBWUKBPLV-NSHDSACASA-N -1 3 386.441 0.583 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826364530 948142653 /nfs/dbraw/zinc/14/26/53/948142653.db2.gz ZJHKGEBAGZGPAS-AWEZNQCLSA-N -1 3 380.412 0.521 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826364530 948142656 /nfs/dbraw/zinc/14/26/56/948142656.db2.gz ZJHKGEBAGZGPAS-AWEZNQCLSA-N -1 3 380.412 0.521 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826364531 948142770 /nfs/dbraw/zinc/14/27/70/948142770.db2.gz ZJHKGEBAGZGPAS-CQSZACIVSA-N -1 3 380.412 0.521 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826364531 948142774 /nfs/dbraw/zinc/14/27/74/948142774.db2.gz ZJHKGEBAGZGPAS-CQSZACIVSA-N -1 3 380.412 0.521 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573677949 948143170 /nfs/dbraw/zinc/14/31/70/948143170.db2.gz BOGCEJBCVIKLHG-JQWIXIFHSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573677949 948143180 /nfs/dbraw/zinc/14/31/80/948143180.db2.gz BOGCEJBCVIKLHG-JQWIXIFHSA-N -1 3 377.449 0.426 20 0 GCADHM Cn1ncc(C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1N ZINC000826366165 948144776 /nfs/dbraw/zinc/14/47/76/948144776.db2.gz VOXDGVMEXSWJHC-ZDUSSCGKSA-N -1 3 382.384 0.535 20 0 GCADHM Cn1ncc(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1N ZINC000826366165 948144783 /nfs/dbraw/zinc/14/47/83/948144783.db2.gz VOXDGVMEXSWJHC-ZDUSSCGKSA-N -1 3 382.384 0.535 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001573678320 948148739 /nfs/dbraw/zinc/14/87/39/948148739.db2.gz GRVPKDGTYNRNHE-WDEREUQCSA-N -1 3 387.423 0.879 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001573678320 948148744 /nfs/dbraw/zinc/14/87/44/948148744.db2.gz GRVPKDGTYNRNHE-WDEREUQCSA-N -1 3 387.423 0.879 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573678314 948149448 /nfs/dbraw/zinc/14/94/48/948149448.db2.gz GRVPKDGTYNRNHE-GHMZBOCLSA-N -1 3 387.423 0.879 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573678314 948149453 /nfs/dbraw/zinc/14/94/53/948149453.db2.gz GRVPKDGTYNRNHE-GHMZBOCLSA-N -1 3 387.423 0.879 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573424402 948150799 /nfs/dbraw/zinc/15/07/99/948150799.db2.gz ZVNSAQMGRVXFST-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573424402 948150806 /nfs/dbraw/zinc/15/08/06/948150806.db2.gz ZVNSAQMGRVXFST-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)c1cccnc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573678801 948155642 /nfs/dbraw/zinc/15/56/42/948155642.db2.gz JBKQGKWMSSEUGB-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)c1cccnc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573678801 948155649 /nfs/dbraw/zinc/15/56/49/948155649.db2.gz JBKQGKWMSSEUGB-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573679260 948159749 /nfs/dbraw/zinc/15/97/49/948159749.db2.gz KHWUHVRYRPESPG-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573679260 948159754 /nfs/dbraw/zinc/15/97/54/948159754.db2.gz KHWUHVRYRPESPG-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cccnc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573679608 948164348 /nfs/dbraw/zinc/16/43/48/948164348.db2.gz LMJOASPRQJTEJI-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cccnc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573679608 948164365 /nfs/dbraw/zinc/16/43/65/948164365.db2.gz LMJOASPRQJTEJI-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001573428752 948166413 /nfs/dbraw/zinc/16/64/13/948166413.db2.gz AYTMOJZLGWPBDL-GASCZTMLSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001573428752 948166420 /nfs/dbraw/zinc/16/64/20/948166420.db2.gz AYTMOJZLGWPBDL-GASCZTMLSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573428968 948168721 /nfs/dbraw/zinc/16/87/21/948168721.db2.gz FKUCNKISSMEETL-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573428968 948168724 /nfs/dbraw/zinc/16/87/24/948168724.db2.gz FKUCNKISSMEETL-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573429399 948171637 /nfs/dbraw/zinc/17/16/37/948171637.db2.gz IFAAASJNAOUYSL-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573429399 948171641 /nfs/dbraw/zinc/17/16/41/948171641.db2.gz IFAAASJNAOUYSL-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573429380 948172012 /nfs/dbraw/zinc/17/20/12/948172012.db2.gz HYOOVHWVJDKLQB-NEPJUHHUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573429380 948172016 /nfs/dbraw/zinc/17/20/16/948172016.db2.gz HYOOVHWVJDKLQB-NEPJUHHUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573430040 948174205 /nfs/dbraw/zinc/17/42/05/948174205.db2.gz LUTUTPLUSGKIEF-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573430040 948174210 /nfs/dbraw/zinc/17/42/10/948174210.db2.gz LUTUTPLUSGKIEF-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573431074 948179660 /nfs/dbraw/zinc/17/96/60/948179660.db2.gz UXTSRGZFFFDIJU-UHFFFAOYSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573431074 948179665 /nfs/dbraw/zinc/17/96/65/948179665.db2.gz UXTSRGZFFFDIJU-UHFFFAOYSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573431918 948183328 /nfs/dbraw/zinc/18/33/28/948183328.db2.gz BURBTOABFVQGSM-KPZWWZAWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573431918 948183330 /nfs/dbraw/zinc/18/33/30/948183330.db2.gz BURBTOABFVQGSM-KPZWWZAWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573432069 948184169 /nfs/dbraw/zinc/18/41/69/948184169.db2.gz CQUHOYNZZWJCHR-KPZWWZAWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573432069 948184175 /nfs/dbraw/zinc/18/41/75/948184175.db2.gz CQUHOYNZZWJCHR-KPZWWZAWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573432071 948184608 /nfs/dbraw/zinc/18/46/08/948184608.db2.gz CQUHOYNZZWJCHR-SGTLLEGYSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573432071 948184613 /nfs/dbraw/zinc/18/46/13/948184613.db2.gz CQUHOYNZZWJCHR-SGTLLEGYSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573432078 948185326 /nfs/dbraw/zinc/18/53/26/948185326.db2.gz CTCPTVZUFBXWSD-KRWDZBQOSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573432078 948185331 /nfs/dbraw/zinc/18/53/31/948185331.db2.gz CTCPTVZUFBXWSD-KRWDZBQOSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573432131 948185783 /nfs/dbraw/zinc/18/57/83/948185783.db2.gz FBAJGUJXLKHGKL-QWQRMKEZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573432131 948185789 /nfs/dbraw/zinc/18/57/89/948185789.db2.gz FBAJGUJXLKHGKL-QWQRMKEZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432419 948188363 /nfs/dbraw/zinc/18/83/63/948188363.db2.gz FKUNBYNFLCGZQE-XIKOKIGWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432419 948188367 /nfs/dbraw/zinc/18/83/67/948188367.db2.gz FKUNBYNFLCGZQE-XIKOKIGWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C)n1cncn1 ZINC001573680933 948192468 /nfs/dbraw/zinc/19/24/68/948192468.db2.gz SMPVTSANJCGLQJ-DGCLKSJQSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C)n1cncn1 ZINC001573680933 948192474 /nfs/dbraw/zinc/19/24/74/948192474.db2.gz SMPVTSANJCGLQJ-DGCLKSJQSA-N -1 3 382.432 0.445 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001573432921 948195497 /nfs/dbraw/zinc/19/54/97/948195497.db2.gz IRZBGHBUWFMJBY-SHTZXODSSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573432921 948195502 /nfs/dbraw/zinc/19/55/02/948195502.db2.gz IRZBGHBUWFMJBY-SHTZXODSSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573432929 948195596 /nfs/dbraw/zinc/19/55/96/948195596.db2.gz ITRKTYDQPAVSPY-SNUQEOBHSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573432929 948195601 /nfs/dbraw/zinc/19/56/01/948195601.db2.gz ITRKTYDQPAVSPY-SNUQEOBHSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573681274 948198645 /nfs/dbraw/zinc/19/86/45/948198645.db2.gz UELLDQWJOPJOPB-HTRCEHHLSA-N -1 3 377.302 0.488 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573681274 948198654 /nfs/dbraw/zinc/19/86/54/948198654.db2.gz UELLDQWJOPJOPB-HTRCEHHLSA-N -1 3 377.302 0.488 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573433346 948198821 /nfs/dbraw/zinc/19/88/21/948198821.db2.gz KBTPZWXPFVEJBM-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573433346 948198828 /nfs/dbraw/zinc/19/88/28/948198828.db2.gz KBTPZWXPFVEJBM-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM NC(=O)c1cc(Cl)nnc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826392628 948200691 /nfs/dbraw/zinc/20/06/91/948200691.db2.gz GGNSBBVIOPKLPI-LBPRGKRZSA-N -1 3 386.803 0.987 20 0 GCADHM NC(=O)c1cc(Cl)nnc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826392628 948200701 /nfs/dbraw/zinc/20/07/01/948200701.db2.gz GGNSBBVIOPKLPI-LBPRGKRZSA-N -1 3 386.803 0.987 20 0 GCADHM NC(=O)N1CCC[C@@H](C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)C1 ZINC000826392289 948201520 /nfs/dbraw/zinc/20/15/20/948201520.db2.gz SVUOHLRHFDEJJM-CYBMUJFWSA-N -1 3 395.427 0.664 20 0 GCADHM NC(=O)N1CCC[C@@H](C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)C1 ZINC000826392289 948201529 /nfs/dbraw/zinc/20/15/29/948201529.db2.gz SVUOHLRHFDEJJM-CYBMUJFWSA-N -1 3 395.427 0.664 20 0 GCADHM NC(=O)Nc1ccc(C(=O)COC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826392810 948201673 /nfs/dbraw/zinc/20/16/73/948201673.db2.gz NZGUZMVWCDJCBP-HNNXBMFYSA-N -1 3 396.363 0.817 20 0 GCADHM NC(=O)Nc1ccc(C(=O)COC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826392810 948201685 /nfs/dbraw/zinc/20/16/85/948201685.db2.gz NZGUZMVWCDJCBP-HNNXBMFYSA-N -1 3 396.363 0.817 20 0 GCADHM C[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1)S(C)(=O)=O ZINC001573681435 948204595 /nfs/dbraw/zinc/20/45/95/948204595.db2.gz VPZQFDYQFFBZNO-ZANVPECISA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1)S(C)(=O)=O ZINC001573681435 948204602 /nfs/dbraw/zinc/20/46/02/948204602.db2.gz VPZQFDYQFFBZNO-ZANVPECISA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573681534 948205020 /nfs/dbraw/zinc/20/50/20/948205020.db2.gz WFBDUSFTHHNLLL-BXUZGUMPSA-N -1 3 388.407 0.030 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573681535 948205252 /nfs/dbraw/zinc/20/52/52/948205252.db2.gz WFBDUSFTHHNLLL-FZMZJTMJSA-N -1 3 388.407 0.030 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H](CO)C2CCOCC2)cc1 ZINC000826395119 948205682 /nfs/dbraw/zinc/20/56/82/948205682.db2.gz NOBLMPGOBNTFBF-HNNXBMFYSA-N -1 3 398.427 0.152 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H](CO)C2CCOCC2)cc1 ZINC000826395119 948205686 /nfs/dbraw/zinc/20/56/86/948205686.db2.gz NOBLMPGOBNTFBF-HNNXBMFYSA-N -1 3 398.427 0.152 20 0 GCADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573681540 948205652 /nfs/dbraw/zinc/20/56/52/948205652.db2.gz WFHIVRZWTHVVNN-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573681540 948205662 /nfs/dbraw/zinc/20/56/62/948205662.db2.gz WFHIVRZWTHVVNN-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cc1csc(-c2cccnc2)n1 ZINC000826395864 948206898 /nfs/dbraw/zinc/20/68/98/948206898.db2.gz WHDBNYIVDVQXSS-UHFFFAOYSA-N -1 3 397.424 0.950 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cc1csc(-c2cccnc2)n1 ZINC000826395864 948206907 /nfs/dbraw/zinc/20/69/07/948206907.db2.gz WHDBNYIVDVQXSS-UHFFFAOYSA-N -1 3 397.424 0.950 20 0 GCADHM C[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1)C1CC1 ZINC001573681668 948209499 /nfs/dbraw/zinc/20/94/99/948209499.db2.gz YRVWSAYKGKVIJL-GWCFXTLKSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1)C1CC1 ZINC001573681668 948209503 /nfs/dbraw/zinc/20/95/03/948209503.db2.gz YRVWSAYKGKVIJL-GWCFXTLKSA-N -1 3 385.428 0.341 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573434172 948209868 /nfs/dbraw/zinc/20/98/68/948209868.db2.gz OOZATDFHHMHIEU-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573434172 948209877 /nfs/dbraw/zinc/20/98/77/948209877.db2.gz OOZATDFHHMHIEU-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826397527 948211793 /nfs/dbraw/zinc/21/17/93/948211793.db2.gz FYWYJAYGAMWEMT-UHFFFAOYSA-N -1 3 376.442 0.251 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826397527 948211801 /nfs/dbraw/zinc/21/18/01/948211801.db2.gz FYWYJAYGAMWEMT-UHFFFAOYSA-N -1 3 376.442 0.251 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl)n1cccc1 ZINC001573681915 948217167 /nfs/dbraw/zinc/21/71/67/948217167.db2.gz YXYSNLMLOMPPOT-ZYHUDNBSSA-N -1 3 390.835 0.867 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl)n1cccc1 ZINC001573681915 948217177 /nfs/dbraw/zinc/21/71/77/948217177.db2.gz YXYSNLMLOMPPOT-ZYHUDNBSSA-N -1 3 390.835 0.867 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573434939 948222388 /nfs/dbraw/zinc/22/23/88/948222388.db2.gz SXNQBBWKNHWJRF-KSSFIOAISA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573434939 948222400 /nfs/dbraw/zinc/22/24/00/948222400.db2.gz SXNQBBWKNHWJRF-KSSFIOAISA-N -1 3 384.444 0.533 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573690561 948225578 /nfs/dbraw/zinc/22/55/78/948225578.db2.gz DPPXOOGANCBSPH-JQWIXIFHSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573690561 948225585 /nfs/dbraw/zinc/22/55/85/948225585.db2.gz DPPXOOGANCBSPH-JQWIXIFHSA-N -1 3 387.400 0.141 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573435225 948226371 /nfs/dbraw/zinc/22/63/71/948226371.db2.gz UXPYXKXVOQSEIJ-ABKXIKBNSA-N -1 3 392.489 0.807 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573690570 948226401 /nfs/dbraw/zinc/22/64/01/948226401.db2.gz DPWOREMXBRUOCQ-JOYOIKCWSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573690570 948226409 /nfs/dbraw/zinc/22/64/09/948226409.db2.gz DPWOREMXBRUOCQ-JOYOIKCWSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573435270 948226597 /nfs/dbraw/zinc/22/65/97/948226597.db2.gz VGLYTGGCQNIZKN-KPZWWZAWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573435270 948226602 /nfs/dbraw/zinc/22/66/02/948226602.db2.gz VGLYTGGCQNIZKN-KPZWWZAWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573435447 948228632 /nfs/dbraw/zinc/22/86/32/948228632.db2.gz WWRFGCLDJLMGEH-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573435447 948228641 /nfs/dbraw/zinc/22/86/41/948228641.db2.gz WWRFGCLDJLMGEH-BTDLBPIBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573435688 948233490 /nfs/dbraw/zinc/23/34/90/948233490.db2.gz ZJLKVCXALFXCCV-UGSOOPFHSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573435688 948233497 /nfs/dbraw/zinc/23/34/97/948233497.db2.gz ZJLKVCXALFXCCV-UGSOOPFHSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573438390 948235865 /nfs/dbraw/zinc/23/58/65/948235865.db2.gz ACHNTURJHMLGBF-IUODEOHRSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573438390 948235873 /nfs/dbraw/zinc/23/58/73/948235873.db2.gz ACHNTURJHMLGBF-IUODEOHRSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](C(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CC1 ZINC001573691130 948237537 /nfs/dbraw/zinc/23/75/37/948237537.db2.gz HQQHSGLBVMPPMJ-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CC1 ZINC001573691130 948237550 /nfs/dbraw/zinc/23/75/50/948237550.db2.gz HQQHSGLBVMPPMJ-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573691734 948245112 /nfs/dbraw/zinc/24/51/12/948245112.db2.gz JQPGMDLSAONMBH-ZYHUDNBSSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573691734 948245116 /nfs/dbraw/zinc/24/51/16/948245116.db2.gz JQPGMDLSAONMBH-ZYHUDNBSSA-N -1 3 375.433 0.180 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573439566 948245856 /nfs/dbraw/zinc/24/58/56/948245856.db2.gz MLQIZUMXAHQJNB-CQSZACIVSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573439566 948245867 /nfs/dbraw/zinc/24/58/67/948245867.db2.gz MLQIZUMXAHQJNB-CQSZACIVSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573439671 948248659 /nfs/dbraw/zinc/24/86/59/948248659.db2.gz OQVVPUNEQXVWFH-AWEZNQCLSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573439671 948248671 /nfs/dbraw/zinc/24/86/71/948248671.db2.gz OQVVPUNEQXVWFH-AWEZNQCLSA-N -1 3 386.460 0.699 20 0 GCADHM O=C(COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccc(F)cc1 ZINC000826414678 948253036 /nfs/dbraw/zinc/25/30/36/948253036.db2.gz FECIMZLPEZABDU-MRXNPFEDSA-N -1 3 385.355 0.899 20 0 GCADHM O=C(COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccc(F)cc1 ZINC000826414678 948253040 /nfs/dbraw/zinc/25/30/40/948253040.db2.gz FECIMZLPEZABDU-MRXNPFEDSA-N -1 3 385.355 0.899 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cccn1 ZINC001573692231 948257612 /nfs/dbraw/zinc/25/76/12/948257612.db2.gz NEBAPXMOEZTKSY-MWLCHTKSSA-N -1 3 391.823 0.262 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cccn1 ZINC001573692231 948257616 /nfs/dbraw/zinc/25/76/16/948257616.db2.gz NEBAPXMOEZTKSY-MWLCHTKSSA-N -1 3 391.823 0.262 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cccn1 ZINC001573692233 948258253 /nfs/dbraw/zinc/25/82/53/948258253.db2.gz NEBAPXMOEZTKSY-ONGXEEELSA-N -1 3 391.823 0.262 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cccn1 ZINC001573692233 948258262 /nfs/dbraw/zinc/25/82/62/948258262.db2.gz NEBAPXMOEZTKSY-ONGXEEELSA-N -1 3 391.823 0.262 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000826418071 948260161 /nfs/dbraw/zinc/26/01/61/948260161.db2.gz QGUHEBNERBGVKR-HNNXBMFYSA-N -1 3 382.355 0.916 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000826418071 948260177 /nfs/dbraw/zinc/26/01/77/948260177.db2.gz QGUHEBNERBGVKR-HNNXBMFYSA-N -1 3 382.355 0.916 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573440909 948262185 /nfs/dbraw/zinc/26/21/85/948262185.db2.gz BIJKFTMKVUFOJV-LLVKDONJSA-N -1 3 375.458 0.796 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573440909 948262190 /nfs/dbraw/zinc/26/21/90/948262190.db2.gz BIJKFTMKVUFOJV-LLVKDONJSA-N -1 3 375.458 0.796 20 0 GCADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573441065 948264332 /nfs/dbraw/zinc/26/43/32/948264332.db2.gz DFDVMSLZKQTREV-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573441065 948264338 /nfs/dbraw/zinc/26/43/38/948264338.db2.gz DFDVMSLZKQTREV-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM O=C(Cn1cccnc1=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826424543 948272258 /nfs/dbraw/zinc/27/22/58/948272258.db2.gz QYVTWJJHXYLHCS-UHFFFAOYSA-N -1 3 377.368 0.130 20 0 GCADHM O=C(Cn1cccnc1=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826424543 948272266 /nfs/dbraw/zinc/27/22/66/948272266.db2.gz QYVTWJJHXYLHCS-UHFFFAOYSA-N -1 3 377.368 0.130 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000826428439 948278440 /nfs/dbraw/zinc/27/84/40/948278440.db2.gz BVPWLXDZSIIYBB-UHFFFAOYSA-N -1 3 396.455 0.068 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000826428439 948278454 /nfs/dbraw/zinc/27/84/54/948278454.db2.gz BVPWLXDZSIIYBB-UHFFFAOYSA-N -1 3 396.455 0.068 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)c1cccnc1 ZINC001573693386 948283134 /nfs/dbraw/zinc/28/31/34/948283134.db2.gz SUONGTWLHOAFRT-MFKMUULPSA-N -1 3 386.391 0.489 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)c1cccnc1 ZINC001573693386 948283143 /nfs/dbraw/zinc/28/31/43/948283143.db2.gz SUONGTWLHOAFRT-MFKMUULPSA-N -1 3 386.391 0.489 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573441989 948284037 /nfs/dbraw/zinc/28/40/37/948284037.db2.gz FEHLOCOPLXULQF-MRXNPFEDSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573441989 948284048 /nfs/dbraw/zinc/28/40/48/948284048.db2.gz FEHLOCOPLXULQF-MRXNPFEDSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573442268 948289007 /nfs/dbraw/zinc/28/90/07/948289007.db2.gz UWOFCCOKAAKALE-GFCCVEGCSA-N -1 3 392.489 0.951 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001573694282 948291833 /nfs/dbraw/zinc/29/18/33/948291833.db2.gz CDEFIYWJXLAPSM-CYUUQNCZSA-N -1 3 379.428 0.518 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001573694282 948291841 /nfs/dbraw/zinc/29/18/41/948291841.db2.gz CDEFIYWJXLAPSM-CYUUQNCZSA-N -1 3 379.428 0.518 20 0 GCADHM CC(=O)N1CCC[C@H](N2CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2=O)C1 ZINC001573442478 948292474 /nfs/dbraw/zinc/29/24/74/948292474.db2.gz IFXZHOVRLJDSPA-KRWDZBQOSA-N -1 3 383.456 0.522 20 0 GCADHM CC(=O)N1CCC[C@H](N2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2=O)C1 ZINC001573442478 948292479 /nfs/dbraw/zinc/29/24/79/948292479.db2.gz IFXZHOVRLJDSPA-KRWDZBQOSA-N -1 3 383.456 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573442484 948293543 /nfs/dbraw/zinc/29/35/43/948293543.db2.gz IGURUBZYYDCSFV-MCIONIFRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573442484 948293551 /nfs/dbraw/zinc/29/35/51/948293551.db2.gz IGURUBZYYDCSFV-MCIONIFRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442694 948298071 /nfs/dbraw/zinc/29/80/71/948298071.db2.gz KBAWHJKKOQRKHX-IUODEOHRSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442694 948298078 /nfs/dbraw/zinc/29/80/78/948298078.db2.gz KBAWHJKKOQRKHX-IUODEOHRSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573442697 948299193 /nfs/dbraw/zinc/29/91/93/948299193.db2.gz KCLRKBZPUZOYCJ-GXTWGEPZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573442697 948299196 /nfs/dbraw/zinc/29/91/96/948299196.db2.gz KCLRKBZPUZOYCJ-GXTWGEPZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573442943 948299641 /nfs/dbraw/zinc/29/96/41/948299641.db2.gz KMOBMXZQOMKGGB-BXKDBHETSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573442928 948301624 /nfs/dbraw/zinc/30/16/24/948301624.db2.gz KCLRKBZPUZOYCJ-TZMCWYRMSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573442928 948301634 /nfs/dbraw/zinc/30/16/34/948301634.db2.gz KCLRKBZPUZOYCJ-TZMCWYRMSA-N -1 3 386.460 0.684 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCCC1 ZINC001573695246 948303716 /nfs/dbraw/zinc/30/37/16/948303716.db2.gz FTVRRODPRJKSMO-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCCC1 ZINC001573695246 948303722 /nfs/dbraw/zinc/30/37/22/948303722.db2.gz FTVRRODPRJKSMO-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573442982 948304034 /nfs/dbraw/zinc/30/40/34/948304034.db2.gz LCIZAYFOUIWYMA-JQWIXIFHSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573442982 948304039 /nfs/dbraw/zinc/30/40/39/948304039.db2.gz LCIZAYFOUIWYMA-JQWIXIFHSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573443371 948304675 /nfs/dbraw/zinc/30/46/75/948304675.db2.gz NBWYWXRPFTUXIX-MRXNPFEDSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573443371 948304687 /nfs/dbraw/zinc/30/46/87/948304687.db2.gz NBWYWXRPFTUXIX-MRXNPFEDSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573443469 948307748 /nfs/dbraw/zinc/30/77/48/948307748.db2.gz OASLFOXGWKTSCM-PWSUYJOCSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573443469 948307756 /nfs/dbraw/zinc/30/77/56/948307756.db2.gz OASLFOXGWKTSCM-PWSUYJOCSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cccc1 ZINC001573695818 948311909 /nfs/dbraw/zinc/31/19/09/948311909.db2.gz IXLXFKGYVCWBOF-SCLBCKFNSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cccc1 ZINC001573695818 948311916 /nfs/dbraw/zinc/31/19/16/948311916.db2.gz IXLXFKGYVCWBOF-SCLBCKFNSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573695830 948312009 /nfs/dbraw/zinc/31/20/09/948312009.db2.gz IYYALROXOCNXSG-XPTSAGLGSA-N -1 3 385.350 0.518 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573695830 948312019 /nfs/dbraw/zinc/31/20/19/948312019.db2.gz IYYALROXOCNXSG-XPTSAGLGSA-N -1 3 385.350 0.518 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826453534 948324217 /nfs/dbraw/zinc/32/42/17/948324217.db2.gz ODXIESQFXXWIPS-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826453534 948324227 /nfs/dbraw/zinc/32/42/27/948324227.db2.gz ODXIESQFXXWIPS-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)C(C)(F)F ZINC001573696569 948327777 /nfs/dbraw/zinc/32/77/77/948327777.db2.gz SEFPYTMUPVAPGT-NSHDSACASA-N -1 3 380.399 0.821 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)C(C)(F)F ZINC001573696569 948327785 /nfs/dbraw/zinc/32/77/85/948327785.db2.gz SEFPYTMUPVAPGT-NSHDSACASA-N -1 3 380.399 0.821 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cccc1 ZINC001573696539 948328236 /nfs/dbraw/zinc/32/82/36/948328236.db2.gz RUVFXOJCLJMMNU-CQSZACIVSA-N -1 3 381.440 0.592 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cccc1 ZINC001573696539 948328244 /nfs/dbraw/zinc/32/82/44/948328244.db2.gz RUVFXOJCLJMMNU-CQSZACIVSA-N -1 3 381.440 0.592 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573446468 948328937 /nfs/dbraw/zinc/32/89/37/948328937.db2.gz HITQXKKCTXWPQV-LSDHHAIUSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573446468 948328948 /nfs/dbraw/zinc/32/89/48/948328948.db2.gz HITQXKKCTXWPQV-LSDHHAIUSA-N -1 3 384.444 0.310 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573696528 948329054 /nfs/dbraw/zinc/32/90/54/948329054.db2.gz RSXQTDOFHDEBDB-ACJLOTCBSA-N -1 3 382.428 0.382 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573446412 948329083 /nfs/dbraw/zinc/32/90/83/948329083.db2.gz DXMPRBQLYBSDAV-XHDPSFHLSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573446412 948329093 /nfs/dbraw/zinc/32/90/93/948329093.db2.gz DXMPRBQLYBSDAV-XHDPSFHLSA-N -1 3 386.460 0.840 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573696528 948329063 /nfs/dbraw/zinc/32/90/63/948329063.db2.gz RSXQTDOFHDEBDB-ACJLOTCBSA-N -1 3 382.428 0.382 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000826456577 948331473 /nfs/dbraw/zinc/33/14/73/948331473.db2.gz MOYIRHJNYISNIY-BBRMVZONSA-N -1 3 392.441 0.725 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000826456577 948331478 /nfs/dbraw/zinc/33/14/78/948331478.db2.gz MOYIRHJNYISNIY-BBRMVZONSA-N -1 3 392.441 0.725 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCCC1 ZINC001573696750 948332319 /nfs/dbraw/zinc/33/23/19/948332319.db2.gz WSDGGBAAPOTIJS-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCCC1 ZINC001573696750 948332325 /nfs/dbraw/zinc/33/23/25/948332325.db2.gz WSDGGBAAPOTIJS-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573446648 948332768 /nfs/dbraw/zinc/33/27/68/948332768.db2.gz LFQNMUWLXJLMFE-LSDHHAIUSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573446648 948332776 /nfs/dbraw/zinc/33/27/76/948332776.db2.gz LFQNMUWLXJLMFE-LSDHHAIUSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573446630 948334123 /nfs/dbraw/zinc/33/41/23/948334123.db2.gz KVMAKXZIFFBSDF-HZPDHXFCSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573446630 948334133 /nfs/dbraw/zinc/33/41/33/948334133.db2.gz KVMAKXZIFFBSDF-HZPDHXFCSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573446638 948334228 /nfs/dbraw/zinc/33/42/28/948334228.db2.gz KYNAFMPROUQITB-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573446638 948334237 /nfs/dbraw/zinc/33/42/37/948334237.db2.gz KYNAFMPROUQITB-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573446704 948336203 /nfs/dbraw/zinc/33/62/03/948336203.db2.gz NJMZPMNTPNEHFK-LSDHHAIUSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573446704 948336212 /nfs/dbraw/zinc/33/62/12/948336212.db2.gz NJMZPMNTPNEHFK-LSDHHAIUSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573696919 948337680 /nfs/dbraw/zinc/33/76/80/948337680.db2.gz ZYZPCBMEXQGANG-KZULUSFZSA-N -1 3 383.412 0.716 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573696919 948337691 /nfs/dbraw/zinc/33/76/91/948337691.db2.gz ZYZPCBMEXQGANG-KZULUSFZSA-N -1 3 383.412 0.716 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573446904 948338539 /nfs/dbraw/zinc/33/85/39/948338539.db2.gz RKWGAVCNDDGMTO-BXKDBHETSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573446894 948338559 /nfs/dbraw/zinc/33/85/59/948338559.db2.gz QZFFILXLFNAMLY-KCPJHIHWSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573446894 948338571 /nfs/dbraw/zinc/33/85/71/948338571.db2.gz QZFFILXLFNAMLY-KCPJHIHWSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573446870 948338782 /nfs/dbraw/zinc/33/87/82/948338782.db2.gz QENUWRLEHUZWJO-IAQYHMDHSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573446870 948338793 /nfs/dbraw/zinc/33/87/93/948338793.db2.gz QENUWRLEHUZWJO-IAQYHMDHSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573446890 948338994 /nfs/dbraw/zinc/33/89/94/948338994.db2.gz QRWGYCDCPIQTAW-OAHLLOKOSA-N -1 3 389.435 0.911 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573446890 948339000 /nfs/dbraw/zinc/33/90/00/948339000.db2.gz QRWGYCDCPIQTAW-OAHLLOKOSA-N -1 3 389.435 0.911 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573447112 948339672 /nfs/dbraw/zinc/33/96/72/948339672.db2.gz VPTKXAANQNVNFB-SOUVJXGZSA-N -1 3 382.428 0.062 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573447112 948339681 /nfs/dbraw/zinc/33/96/81/948339681.db2.gz VPTKXAANQNVNFB-SOUVJXGZSA-N -1 3 382.428 0.062 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573701866 948340613 /nfs/dbraw/zinc/34/06/13/948340613.db2.gz BLMYLGAOARFZGF-STQMWFEESA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573701866 948340627 /nfs/dbraw/zinc/34/06/27/948340627.db2.gz BLMYLGAOARFZGF-STQMWFEESA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573701862 948341431 /nfs/dbraw/zinc/34/14/31/948341431.db2.gz BLMYLGAOARFZGF-QWHCGFSZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573701862 948341442 /nfs/dbraw/zinc/34/14/42/948341442.db2.gz BLMYLGAOARFZGF-QWHCGFSZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573702008 948342983 /nfs/dbraw/zinc/34/29/83/948342983.db2.gz CJSLVENZUKHZCC-DGCLKSJQSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573702008 948342990 /nfs/dbraw/zinc/34/29/90/948342990.db2.gz CJSLVENZUKHZCC-DGCLKSJQSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573703671 948356741 /nfs/dbraw/zinc/35/67/41/948356741.db2.gz LXYQBSJSNGVCNL-DOMZBBRYSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573704047 948364323 /nfs/dbraw/zinc/36/43/23/948364323.db2.gz OMDNWQSSERQILM-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573704047 948364331 /nfs/dbraw/zinc/36/43/31/948364331.db2.gz OMDNWQSSERQILM-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573704333 948369504 /nfs/dbraw/zinc/36/95/04/948369504.db2.gz ARVKYDYFDORZBW-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573704333 948369511 /nfs/dbraw/zinc/36/95/11/948369511.db2.gz ARVKYDYFDORZBW-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573704336 948370731 /nfs/dbraw/zinc/37/07/31/948370731.db2.gz ARVKYDYFDORZBW-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573704336 948370736 /nfs/dbraw/zinc/37/07/36/948370736.db2.gz ARVKYDYFDORZBW-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573704434 948374386 /nfs/dbraw/zinc/37/43/86/948374386.db2.gz SHQYKDQVCACCFG-DOMZBBRYSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573704434 948374392 /nfs/dbraw/zinc/37/43/92/948374392.db2.gz SHQYKDQVCACCFG-DOMZBBRYSA-N -1 3 381.444 0.884 20 0 GCADHM O=C1OC[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476392 948381983 /nfs/dbraw/zinc/38/19/83/948381983.db2.gz GLFVGSHNGCLYLB-LSDHHAIUSA-N -1 3 383.412 0.499 20 0 GCADHM O=C1OC[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476392 948381993 /nfs/dbraw/zinc/38/19/93/948381993.db2.gz GLFVGSHNGCLYLB-LSDHHAIUSA-N -1 3 383.412 0.499 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C(C)(C)C ZINC001573705176 948394591 /nfs/dbraw/zinc/39/45/91/948394591.db2.gz GKLZSAXLSDUBNN-RYUDHWBXSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C(C)(C)C ZINC001573705176 948394596 /nfs/dbraw/zinc/39/45/96/948394596.db2.gz GKLZSAXLSDUBNN-RYUDHWBXSA-N -1 3 389.460 0.834 20 0 GCADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)N1CCNC(=O)C1 ZINC000826481111 948394813 /nfs/dbraw/zinc/39/48/13/948394813.db2.gz HXTFVBDIQRHPAV-UHFFFAOYSA-N -1 3 387.791 0.670 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1)n1cncn1 ZINC001573705371 948397242 /nfs/dbraw/zinc/39/72/42/948397242.db2.gz HNVHQXCNKFCVEC-RISCZKNCSA-N -1 3 385.407 0.549 20 0 GCADHM O=S1(=O)CCN(C2CCN(Cc3ccc(F)cc3-c3nnn[n-]3)CC2)CC1 ZINC000826496959 948409390 /nfs/dbraw/zinc/40/93/90/948409390.db2.gz PIDGSHPDXWZXLI-UHFFFAOYSA-N -1 3 394.476 0.701 20 0 GCADHM O=S1(=O)CCN(C2CCN(Cc3ccc(F)cc3-c3nn[n-]n3)CC2)CC1 ZINC000826496959 948409398 /nfs/dbraw/zinc/40/93/98/948409398.db2.gz PIDGSHPDXWZXLI-UHFFFAOYSA-N -1 3 394.476 0.701 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573705970 948409657 /nfs/dbraw/zinc/40/96/57/948409657.db2.gz HWBIKFZFEDDDGU-STQMWFEESA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573705970 948409664 /nfs/dbraw/zinc/40/96/64/948409664.db2.gz HWBIKFZFEDDDGU-STQMWFEESA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573706863 948427189 /nfs/dbraw/zinc/42/71/89/948427189.db2.gz MKEWINRRMKFQEL-NSHDSACASA-N -1 3 380.412 0.582 20 0 GCADHM C[C@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573706863 948427191 /nfs/dbraw/zinc/42/71/91/948427191.db2.gz MKEWINRRMKFQEL-NSHDSACASA-N -1 3 380.412 0.582 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573707132 948427760 /nfs/dbraw/zinc/42/77/60/948427760.db2.gz MZXVSNYCWDGEHG-RKDXNWHRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573707132 948427767 /nfs/dbraw/zinc/42/77/67/948427767.db2.gz MZXVSNYCWDGEHG-RKDXNWHRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573707258 948431666 /nfs/dbraw/zinc/43/16/66/948431666.db2.gz OIULVXBWHHUZAW-NSHDSACASA-N -1 3 380.412 0.582 20 0 GCADHM C[C@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573707258 948431668 /nfs/dbraw/zinc/43/16/68/948431668.db2.gz OIULVXBWHHUZAW-NSHDSACASA-N -1 3 380.412 0.582 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573707966 948441376 /nfs/dbraw/zinc/44/13/76/948441376.db2.gz QKOITZBDMJQOQD-WCQYABFASA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573707966 948441383 /nfs/dbraw/zinc/44/13/83/948441383.db2.gz QKOITZBDMJQOQD-WCQYABFASA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NCC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573708733 948457240 /nfs/dbraw/zinc/45/72/40/948457240.db2.gz XTCZOULNUWFFJU-LLVKDONJSA-N -1 3 385.407 0.407 20 0 GCADHM C[C@H](C(=O)NCC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573708733 948457250 /nfs/dbraw/zinc/45/72/50/948457250.db2.gz XTCZOULNUWFFJU-LLVKDONJSA-N -1 3 385.407 0.407 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)C(C)(F)F ZINC001573708729 948458065 /nfs/dbraw/zinc/45/80/65/948458065.db2.gz XPSFZNQSICAILY-PWSUYJOCSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)C(C)(F)F ZINC001573708729 948458070 /nfs/dbraw/zinc/45/80/70/948458070.db2.gz XPSFZNQSICAILY-PWSUYJOCSA-N -1 3 381.387 0.874 20 0 GCADHM c1nc2ccc(-c3nnn[n-]3)cn2c1CNc1cnn(CCN2CCOCC2)c1 ZINC000826527044 948463963 /nfs/dbraw/zinc/46/39/63/948463963.db2.gz XFMANWZSUJEPSS-UHFFFAOYSA-N -1 3 394.443 0.655 20 0 GCADHM c1nc2ccc(-c3nn[n-]n3)cn2c1CNc1cnn(CCN2CCOCC2)c1 ZINC000826527044 948463973 /nfs/dbraw/zinc/46/39/73/948463973.db2.gz XFMANWZSUJEPSS-UHFFFAOYSA-N -1 3 394.443 0.655 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573713777 948467701 /nfs/dbraw/zinc/46/77/01/948467701.db2.gz BNKALDRRYJEFHH-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573713777 948467706 /nfs/dbraw/zinc/46/77/06/948467706.db2.gz BNKALDRRYJEFHH-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NCC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573714030 948469332 /nfs/dbraw/zinc/46/93/32/948469332.db2.gz CQVKIZDDMGBDSM-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NCC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573714030 948469337 /nfs/dbraw/zinc/46/93/37/948469337.db2.gz CQVKIZDDMGBDSM-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NCCN(C)Cc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CCC(=O)N1 ZINC001573714721 948477302 /nfs/dbraw/zinc/47/73/02/948477302.db2.gz JFAQAEBKXBXSLV-IAQYHMDHSA-N -1 3 389.435 0.469 20 0 GCADHM CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001159751722 948485299 /nfs/dbraw/zinc/48/52/99/948485299.db2.gz WBYJKGGMQQMNPA-UHFFFAOYSA-N -1 3 387.400 0.681 20 0 GCADHM CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001159751722 948485304 /nfs/dbraw/zinc/48/53/04/948485304.db2.gz WBYJKGGMQQMNPA-UHFFFAOYSA-N -1 3 387.400 0.681 20 0 GCADHM C[C@H](C(=O)NCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573715387 948490094 /nfs/dbraw/zinc/49/00/94/948490094.db2.gz VNDZMBBBBVHHIJ-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@H](C(=O)NCCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573715387 948490097 /nfs/dbraw/zinc/49/00/97/948490097.db2.gz VNDZMBBBBVHHIJ-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM O=C(N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001302637064 948502574 /nfs/dbraw/zinc/50/25/74/948502574.db2.gz FHXIHGAKUTUIGI-MQMHXKEQSA-N -1 3 384.421 0.996 20 0 GCADHM O=C(N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001302637064 948502577 /nfs/dbraw/zinc/50/25/77/948502577.db2.gz FHXIHGAKUTUIGI-MQMHXKEQSA-N -1 3 384.421 0.996 20 0 GCADHM C[C@@H](C(=O)NCCN1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573717472 948507959 /nfs/dbraw/zinc/50/79/59/948507959.db2.gz CTNLXJZYEHCOIJ-GFCCVEGCSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ncccc1-c1nnn[n-]1)C1CC1)c1cnn(C)c1 ZINC001573717484 948508161 /nfs/dbraw/zinc/50/81/61/948508161.db2.gz CXVLOWZDVHNMIO-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ncccc1-c1nn[n-]n1)C1CC1)c1cnn(C)c1 ZINC001573717484 948508167 /nfs/dbraw/zinc/50/81/67/948508167.db2.gz CXVLOWZDVHNMIO-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NCCN1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)C1CC1 ZINC001573718724 948519082 /nfs/dbraw/zinc/51/90/82/948519082.db2.gz JOYKJAMLEBTRCV-LBPRGKRZSA-N -1 3 388.451 0.685 20 0 GCADHM C[C@H](C(=O)NCCN1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)C1CC1 ZINC001573718724 948519091 /nfs/dbraw/zinc/51/90/91/948519091.db2.gz JOYKJAMLEBTRCV-LBPRGKRZSA-N -1 3 388.451 0.685 20 0 GCADHM C[C@H](C(=O)NCCN(Cc1ccccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573719184 948522660 /nfs/dbraw/zinc/52/26/60/948522660.db2.gz KSHPFSVEIFVDDE-GFCCVEGCSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573719253 948524508 /nfs/dbraw/zinc/52/45/08/948524508.db2.gz MCFOZDBZSKPZHN-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573719253 948524514 /nfs/dbraw/zinc/52/45/14/948524514.db2.gz MCFOZDBZSKPZHN-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573719989 948531084 /nfs/dbraw/zinc/53/10/84/948531084.db2.gz ZIQKBWWHPJSTHW-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573719989 948531089 /nfs/dbraw/zinc/53/10/89/948531089.db2.gz ZIQKBWWHPJSTHW-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573726281 948549269 /nfs/dbraw/zinc/54/92/69/948549269.db2.gz HTFRWVQCXJDPDO-ZSEWYUTFSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573726281 948549275 /nfs/dbraw/zinc/54/92/75/948549275.db2.gz HTFRWVQCXJDPDO-ZSEWYUTFSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001573731711 948594497 /nfs/dbraw/zinc/59/44/97/948594497.db2.gz XOQFRJDHUSJDSO-RTWAVKEYSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001573731711 948594505 /nfs/dbraw/zinc/59/45/05/948594505.db2.gz XOQFRJDHUSJDSO-RTWAVKEYSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NCc1ccco1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573731765 948595282 /nfs/dbraw/zinc/59/52/82/948595282.db2.gz YPPQHQQPHCDUIT-NSHDSACASA-N -1 3 386.416 0.154 20 0 GCADHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)c1ccnn1C ZINC001573731818 948596894 /nfs/dbraw/zinc/59/68/94/948596894.db2.gz IESHHJOUOLAFCC-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)c1ccnn1C ZINC001573731818 948596900 /nfs/dbraw/zinc/59/69/00/948596900.db2.gz IESHHJOUOLAFCC-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573732872 948610778 /nfs/dbraw/zinc/61/07/78/948610778.db2.gz ZWUAZZOZBNKCFE-CYZMBNFOSA-N -1 3 398.431 0.205 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573732872 948610782 /nfs/dbraw/zinc/61/07/82/948610782.db2.gz ZWUAZZOZBNKCFE-CYZMBNFOSA-N -1 3 398.431 0.205 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573736102 948612595 /nfs/dbraw/zinc/61/25/95/948612595.db2.gz IKOSZAGILLKNKR-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573736102 948612599 /nfs/dbraw/zinc/61/25/99/948612599.db2.gz IKOSZAGILLKNKR-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573736435 948616043 /nfs/dbraw/zinc/61/60/43/948616043.db2.gz SQZLIRCYZDINQP-MRVWCRGKSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573736435 948616047 /nfs/dbraw/zinc/61/60/47/948616047.db2.gz SQZLIRCYZDINQP-MRVWCRGKSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1ccccc1F ZINC001573739789 948623703 /nfs/dbraw/zinc/62/37/03/948623703.db2.gz HPOFNBMMRBFEOL-XZJROXQQSA-N -1 3 397.414 0.870 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1ccccc1F ZINC001573739789 948623709 /nfs/dbraw/zinc/62/37/09/948623709.db2.gz HPOFNBMMRBFEOL-XZJROXQQSA-N -1 3 397.414 0.870 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)C(C)(F)F ZINC001573740104 948627953 /nfs/dbraw/zinc/62/79/53/948627953.db2.gz DISWOQBNSWJQSO-XRNSZHNASA-N -1 3 384.362 0.963 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)C(C)(F)F ZINC001573740104 948627956 /nfs/dbraw/zinc/62/79/56/948627956.db2.gz DISWOQBNSWJQSO-XRNSZHNASA-N -1 3 384.362 0.963 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C1CCCC1 ZINC001573740195 948629272 /nfs/dbraw/zinc/62/92/72/948629272.db2.gz KWQLAGNMJPZXHI-VQISRLSMSA-N -1 3 389.435 0.893 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C1CCCC1 ZINC001573740195 948629275 /nfs/dbraw/zinc/62/92/75/948629275.db2.gz KWQLAGNMJPZXHI-VQISRLSMSA-N -1 3 389.435 0.893 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)C(C)(C)C ZINC001573740217 948630366 /nfs/dbraw/zinc/63/03/66/948630366.db2.gz LDYRALITAAJFGZ-ZWKOPEQDSA-N -1 3 377.424 0.749 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)C(C)(C)C ZINC001573740217 948630369 /nfs/dbraw/zinc/63/03/69/948630369.db2.gz LDYRALITAAJFGZ-ZWKOPEQDSA-N -1 3 377.424 0.749 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)c1ccco1 ZINC001573741035 948648508 /nfs/dbraw/zinc/64/85/08/948648508.db2.gz XECHTCVAAHPAOU-WQAKAFBOSA-N -1 3 387.375 0.463 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)c1ccco1 ZINC001573741035 948648513 /nfs/dbraw/zinc/64/85/13/948648513.db2.gz XECHTCVAAHPAOU-WQAKAFBOSA-N -1 3 387.375 0.463 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1cccs1 ZINC001573741495 948654247 /nfs/dbraw/zinc/65/42/47/948654247.db2.gz XPYJSNMXXGUDOP-HONMWMINSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1cccs1 ZINC001573741495 948654252 /nfs/dbraw/zinc/65/42/52/948654252.db2.gz XPYJSNMXXGUDOP-HONMWMINSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C)n1cccc1 ZINC001573742000 948659541 /nfs/dbraw/zinc/65/95/41/948659541.db2.gz HIFHCFMXCFZPMX-BZPMIXESSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C)n1cccc1 ZINC001573742000 948659545 /nfs/dbraw/zinc/65/95/45/948659545.db2.gz HIFHCFMXCFZPMX-BZPMIXESSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573742220 948659633 /nfs/dbraw/zinc/65/96/33/948659633.db2.gz IKOSZAGILLKNKR-JSGCOSHPSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573742220 948659637 /nfs/dbraw/zinc/65/96/37/948659637.db2.gz IKOSZAGILLKNKR-JSGCOSHPSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573742222 948659803 /nfs/dbraw/zinc/65/98/03/948659803.db2.gz IKOSZAGILLKNKR-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573742222 948659809 /nfs/dbraw/zinc/65/98/09/948659809.db2.gz IKOSZAGILLKNKR-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573745519 948671983 /nfs/dbraw/zinc/67/19/83/948671983.db2.gz DEKXMXQKQXRCAN-OBJOEFQTSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573745519 948671987 /nfs/dbraw/zinc/67/19/87/948671987.db2.gz DEKXMXQKQXRCAN-OBJOEFQTSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573746816 948686173 /nfs/dbraw/zinc/68/61/73/948686173.db2.gz PORHCCOWAOEQEK-FJJYHAOUSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573746816 948686179 /nfs/dbraw/zinc/68/61/79/948686179.db2.gz PORHCCOWAOEQEK-FJJYHAOUSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573747330 948689953 /nfs/dbraw/zinc/68/99/53/948689953.db2.gz NMYDGHVCMJNNFT-LERXQTSPSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573747330 948689959 /nfs/dbraw/zinc/68/99/59/948689959.db2.gz NMYDGHVCMJNNFT-LERXQTSPSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573747473 948690725 /nfs/dbraw/zinc/69/07/25/948690725.db2.gz VDBRDCSZHMTXCZ-BZPMIXESSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573747473 948690734 /nfs/dbraw/zinc/69/07/34/948690734.db2.gz VDBRDCSZHMTXCZ-BZPMIXESSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573747487 948693067 /nfs/dbraw/zinc/69/30/67/948693067.db2.gz VUVNKYPDSWNLKA-HONMWMINSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573747487 948693073 /nfs/dbraw/zinc/69/30/73/948693073.db2.gz VUVNKYPDSWNLKA-HONMWMINSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573748042 948694175 /nfs/dbraw/zinc/69/41/75/948694175.db2.gz QZAFTKFHAQJTRL-ZMLRMANQSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573748042 948694180 /nfs/dbraw/zinc/69/41/80/948694180.db2.gz QZAFTKFHAQJTRL-ZMLRMANQSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001573748071 948694670 /nfs/dbraw/zinc/69/46/70/948694670.db2.gz ZXTSXUHKSJWWGX-UQFNBPPOSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001573748071 948694679 /nfs/dbraw/zinc/69/46/79/948694679.db2.gz ZXTSXUHKSJWWGX-UQFNBPPOSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)[C@H]1CCC(=O)N1 ZINC001573749345 948699359 /nfs/dbraw/zinc/69/93/59/948699359.db2.gz YOAZXZLOBGBDJR-MVVXRAEJSA-N -1 3 388.407 0.375 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)[C@H]1CCC(=O)N1 ZINC001573749345 948699365 /nfs/dbraw/zinc/69/93/65/948699365.db2.gz YOAZXZLOBGBDJR-MVVXRAEJSA-N -1 3 388.407 0.375 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573749349 948699970 /nfs/dbraw/zinc/69/99/70/948699970.db2.gz YSRCRDFSXXHYTP-JHJVBQTASA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573749349 948699973 /nfs/dbraw/zinc/69/99/73/948699973.db2.gz YSRCRDFSXXHYTP-JHJVBQTASA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573751542 948703494 /nfs/dbraw/zinc/70/34/94/948703494.db2.gz BBPURHZEEGDMNU-ZZVYKPCYSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573751542 948703498 /nfs/dbraw/zinc/70/34/98/948703498.db2.gz BBPURHZEEGDMNU-ZZVYKPCYSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)[C@@H]1CCCO1 ZINC001573753360 948716945 /nfs/dbraw/zinc/71/69/45/948716945.db2.gz RYPJUIVNAPSTNL-XWKQNIGYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)[C@@H]1CCCO1 ZINC001573753360 948716953 /nfs/dbraw/zinc/71/69/53/948716953.db2.gz RYPJUIVNAPSTNL-XWKQNIGYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(N)=O)N(C)Cc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573754383 948741660 /nfs/dbraw/zinc/74/16/60/948741660.db2.gz FUFSBSOLIHXOAM-LLVKDONJSA-N -1 3 382.428 0.430 20 0 GCADHM CC(C)[C@H](F)C(=O)N1CCOC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001574075873 948749360 /nfs/dbraw/zinc/74/93/60/948749360.db2.gz ZRGYFKMOTFYMAV-ZDUSSCGKSA-N -1 3 391.407 0.242 20 0 GCADHM CC(C)[C@H](F)C(=O)N1CCOC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001574075873 948749365 /nfs/dbraw/zinc/74/93/65/948749365.db2.gz ZRGYFKMOTFYMAV-ZDUSSCGKSA-N -1 3 391.407 0.242 20 0 GCADHM CC(C)c1cc(NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)ncn1 ZINC001574416515 948749597 /nfs/dbraw/zinc/74/95/97/948749597.db2.gz WHDHJNWNZTUCCL-UHFFFAOYSA-N -1 3 385.432 0.655 20 0 GCADHM CC(C)c1cc(NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)ncn1 ZINC001574416515 948749603 /nfs/dbraw/zinc/74/96/03/948749603.db2.gz WHDHJNWNZTUCCL-UHFFFAOYSA-N -1 3 385.432 0.655 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nnn[n-]2)nc1 ZINC001574416612 948751891 /nfs/dbraw/zinc/75/18/91/948751891.db2.gz ZOWCYEZDRKVXCY-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)nc1 ZINC001574416612 948751903 /nfs/dbraw/zinc/75/19/03/948751903.db2.gz ZOWCYEZDRKVXCY-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001573755116 948753925 /nfs/dbraw/zinc/75/39/25/948753925.db2.gz ANOBXCSYPCVCPW-PLQHRBFRSA-N -1 3 390.469 0.560 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001573755116 948753932 /nfs/dbraw/zinc/75/39/32/948753932.db2.gz ANOBXCSYPCVCPW-PLQHRBFRSA-N -1 3 390.469 0.560 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574914836 948757299 /nfs/dbraw/zinc/75/72/99/948757299.db2.gz NUJLFGPIBXSPDT-JTQLQIEISA-N -1 3 384.400 0.163 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574914836 948757309 /nfs/dbraw/zinc/75/73/09/948757309.db2.gz NUJLFGPIBXSPDT-JTQLQIEISA-N -1 3 384.400 0.163 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccn(C)n1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574915428 948764440 /nfs/dbraw/zinc/76/44/40/948764440.db2.gz TXYTWTSYZOBRNK-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccn(C)n1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574915428 948764448 /nfs/dbraw/zinc/76/44/48/948764448.db2.gz TXYTWTSYZOBRNK-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575223514 948767551 /nfs/dbraw/zinc/76/75/51/948767551.db2.gz CEEGBHJQCHKLIW-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575223514 948767568 /nfs/dbraw/zinc/76/75/68/948767568.db2.gz CEEGBHJQCHKLIW-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)CCn1cnnc1 ZINC001573755526 948770692 /nfs/dbraw/zinc/77/06/92/948770692.db2.gz RHAXGWFMRCSEJG-SNVBAGLBSA-N -1 3 387.473 0.967 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)CCn1cnnc1 ZINC001573755526 948770702 /nfs/dbraw/zinc/77/07/02/948770702.db2.gz RHAXGWFMRCSEJG-SNVBAGLBSA-N -1 3 387.473 0.967 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C1 ZINC001575223878 948771538 /nfs/dbraw/zinc/77/15/38/948771538.db2.gz HLSXCTIKCNSQLR-AOOOYVTPSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C1 ZINC001575223878 948771544 /nfs/dbraw/zinc/77/15/44/948771544.db2.gz HLSXCTIKCNSQLR-AOOOYVTPSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575223928 948775382 /nfs/dbraw/zinc/77/53/82/948775382.db2.gz PNBWYGRGHFXCRT-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM CC(F)(F)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575223928 948775395 /nfs/dbraw/zinc/77/53/95/948775395.db2.gz PNBWYGRGHFXCRT-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM CC(F)(F)CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001575224110 948777075 /nfs/dbraw/zinc/77/70/75/948777075.db2.gz JAAPMSURAZWFFA-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001575224110 948777084 /nfs/dbraw/zinc/77/70/84/948777084.db2.gz JAAPMSURAZWFFA-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(C)c1cccc(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574418564 948778819 /nfs/dbraw/zinc/77/88/19/948778819.db2.gz YJCLZAJNIAGDAW-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)c1cccc(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574418564 948778830 /nfs/dbraw/zinc/77/88/30/948778830.db2.gz YJCLZAJNIAGDAW-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001574080123 948782605 /nfs/dbraw/zinc/78/26/05/948782605.db2.gz HQUBBNRWCRLKRK-RBSFLKMASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001574080123 948782616 /nfs/dbraw/zinc/78/26/16/948782616.db2.gz HQUBBNRWCRLKRK-RBSFLKMASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1 ZINC001574080171 948785584 /nfs/dbraw/zinc/78/55/84/948785584.db2.gz IWMORIHKNAEXLJ-TZMCWYRMSA-N -1 3 377.424 0.967 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1 ZINC001574080171 948785571 /nfs/dbraw/zinc/78/55/71/948785571.db2.gz IWMORIHKNAEXLJ-TZMCWYRMSA-N -1 3 377.424 0.967 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001575224394 948785641 /nfs/dbraw/zinc/78/56/41/948785641.db2.gz VOLOYGGAKOKYMD-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001575224394 948785650 /nfs/dbraw/zinc/78/56/50/948785650.db2.gz VOLOYGGAKOKYMD-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574916763 948788857 /nfs/dbraw/zinc/78/88/57/948788857.db2.gz JCVWHJFHMIBDRV-LLVKDONJSA-N -1 3 387.423 0.708 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574916763 948788870 /nfs/dbraw/zinc/78/88/70/948788870.db2.gz JCVWHJFHMIBDRV-LLVKDONJSA-N -1 3 387.423 0.708 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001574080805 948805614 /nfs/dbraw/zinc/80/56/14/948805614.db2.gz NRPJSBOUQHWKOG-KFWWJZLASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001574080805 948805628 /nfs/dbraw/zinc/80/56/28/948805628.db2.gz NRPJSBOUQHWKOG-KFWWJZLASA-N -1 3 380.399 0.661 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573756401 948816374 /nfs/dbraw/zinc/81/63/74/948816374.db2.gz QOSRSOBKWQFGLG-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573756401 948816391 /nfs/dbraw/zinc/81/63/91/948816391.db2.gz QOSRSOBKWQFGLG-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917305 948816904 /nfs/dbraw/zinc/81/69/04/948816904.db2.gz WCTZEYGJMVBCTC-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917305 948816930 /nfs/dbraw/zinc/81/69/30/948816930.db2.gz WCTZEYGJMVBCTC-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574422032 948826792 /nfs/dbraw/zinc/82/67/92/948826792.db2.gz VEVCKHXSHAORFA-SNVBAGLBSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574422032 948826807 /nfs/dbraw/zinc/82/68/07/948826807.db2.gz VEVCKHXSHAORFA-SNVBAGLBSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574422015 948828162 /nfs/dbraw/zinc/82/81/62/948828162.db2.gz USIBMJPYQZUEJB-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574422015 948828181 /nfs/dbraw/zinc/82/81/81/948828181.db2.gz USIBMJPYQZUEJB-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574917977 948833356 /nfs/dbraw/zinc/83/33/56/948833356.db2.gz DUANJVCOMDFIGG-NSHDSACASA-N -1 3 381.462 0.027 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574917977 948833374 /nfs/dbraw/zinc/83/33/74/948833374.db2.gz DUANJVCOMDFIGG-NSHDSACASA-N -1 3 381.462 0.027 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574081665 948835509 /nfs/dbraw/zinc/83/55/09/948835509.db2.gz VIGWMRCENPCVIW-CQSZACIVSA-N -1 3 392.439 0.063 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574081665 948835523 /nfs/dbraw/zinc/83/55/23/948835523.db2.gz VIGWMRCENPCVIW-CQSZACIVSA-N -1 3 392.439 0.063 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CCn1cncn1 ZINC001574684015 948855069 /nfs/dbraw/zinc/85/50/69/948855069.db2.gz AEQXCPHIAZCRKD-SNVBAGLBSA-N -1 3 390.839 0.904 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CCn1cncn1 ZINC001574684015 948855091 /nfs/dbraw/zinc/85/50/91/948855091.db2.gz AEQXCPHIAZCRKD-SNVBAGLBSA-N -1 3 390.839 0.904 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573762693 948860332 /nfs/dbraw/zinc/86/03/32/948860332.db2.gz YJIYSDZKOZHXHN-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573762693 948860355 /nfs/dbraw/zinc/86/03/55/948860355.db2.gz YJIYSDZKOZHXHN-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574684230 948861773 /nfs/dbraw/zinc/86/17/73/948861773.db2.gz CFSXVKMOVSZVND-UWVGGRQHSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574684230 948861784 /nfs/dbraw/zinc/86/17/84/948861784.db2.gz CFSXVKMOVSZVND-UWVGGRQHSA-N -1 3 376.396 0.234 20 0 GCADHM CC(C)C1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574082860 948867035 /nfs/dbraw/zinc/86/70/35/948867035.db2.gz LVXMSHBBLHWJHA-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)C1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574082860 948867046 /nfs/dbraw/zinc/86/70/46/948867046.db2.gz LVXMSHBBLHWJHA-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnc[nH]1 ZINC001573763459 948871594 /nfs/dbraw/zinc/87/15/94/948871594.db2.gz FPDMESDHGWHHQP-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnc[nH]1 ZINC001573763459 948871619 /nfs/dbraw/zinc/87/16/19/948871619.db2.gz FPDMESDHGWHHQP-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574684613 948877030 /nfs/dbraw/zinc/87/70/30/948877030.db2.gz IWXZWEGZQXMXOL-WDEREUQCSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574684613 948877048 /nfs/dbraw/zinc/87/70/48/948877048.db2.gz IWXZWEGZQXMXOL-WDEREUQCSA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)no1 ZINC001574425744 948879084 /nfs/dbraw/zinc/87/90/84/948879084.db2.gz MMMHLIUVQUAQFZ-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)no1 ZINC001574425744 948879101 /nfs/dbraw/zinc/87/91/01/948879101.db2.gz MMMHLIUVQUAQFZ-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN2CC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001574425663 948879763 /nfs/dbraw/zinc/87/97/63/948879763.db2.gz JKJZFNMMIJGACT-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1nc(CN2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001574425663 948879778 /nfs/dbraw/zinc/87/97/78/948879778.db2.gz JKJZFNMMIJGACT-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1nc(CN2CC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001574425664 948882072 /nfs/dbraw/zinc/88/20/72/948882072.db2.gz JKJZFNMMIJGACT-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1nc(CN2CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001574425664 948882093 /nfs/dbraw/zinc/88/20/93/948882093.db2.gz JKJZFNMMIJGACT-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)n1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574920137 948885436 /nfs/dbraw/zinc/88/54/36/948885436.db2.gz DKVGHLFSQUIJMF-SNVBAGLBSA-N -1 3 388.411 0.326 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)n1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574920137 948885455 /nfs/dbraw/zinc/88/54/55/948885455.db2.gz DKVGHLFSQUIJMF-SNVBAGLBSA-N -1 3 388.411 0.326 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)no1 ZINC001574426192 948887258 /nfs/dbraw/zinc/88/72/58/948887258.db2.gz RIZBWRSSKIAZJY-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)no1 ZINC001574426192 948887274 /nfs/dbraw/zinc/88/72/74/948887274.db2.gz RIZBWRSSKIAZJY-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC001574426170 948888103 /nfs/dbraw/zinc/88/81/03/948888103.db2.gz RGMAIJISXFDDLA-UHFFFAOYSA-N -1 3 376.446 0.640 20 0 GCADHM CC(C)c1nc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC001574426170 948888113 /nfs/dbraw/zinc/88/81/13/948888113.db2.gz RGMAIJISXFDDLA-UHFFFAOYSA-N -1 3 376.446 0.640 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574684830 948888482 /nfs/dbraw/zinc/88/84/82/948888482.db2.gz NIQRGPBODRQJHL-MFKMUULPSA-N -1 3 378.412 0.038 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574684830 948888504 /nfs/dbraw/zinc/88/85/04/948888504.db2.gz NIQRGPBODRQJHL-MFKMUULPSA-N -1 3 378.412 0.038 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)no1 ZINC001574426394 948889782 /nfs/dbraw/zinc/88/97/82/948889782.db2.gz RIZBWRSSKIAZJY-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)no1 ZINC001574426394 948889797 /nfs/dbraw/zinc/88/97/97/948889797.db2.gz RIZBWRSSKIAZJY-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(F)(F)CC(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575233956 948890178 /nfs/dbraw/zinc/89/01/78/948890178.db2.gz MWJAFHLWIBGERX-QMMMGPOBSA-N -1 3 375.767 0.849 20 0 GCADHM CC(F)(F)CC(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575233956 948890193 /nfs/dbraw/zinc/89/01/93/948890193.db2.gz MWJAFHLWIBGERX-QMMMGPOBSA-N -1 3 375.767 0.849 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573764702 948894058 /nfs/dbraw/zinc/89/40/58/948894058.db2.gz QPXKRIOKPOZKQG-ZDUSSCGKSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573764702 948894077 /nfs/dbraw/zinc/89/40/77/948894077.db2.gz QPXKRIOKPOZKQG-ZDUSSCGKSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574684954 948895553 /nfs/dbraw/zinc/89/55/53/948895553.db2.gz PPIJEYBFFDBENQ-GXSJLCMTSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920312 948895657 /nfs/dbraw/zinc/89/56/57/948895657.db2.gz IHTAGFJPKWOSAD-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574684954 948895570 /nfs/dbraw/zinc/89/55/70/948895570.db2.gz PPIJEYBFFDBENQ-GXSJLCMTSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920312 948895675 /nfs/dbraw/zinc/89/56/75/948895675.db2.gz IHTAGFJPKWOSAD-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1cnn(C)n1 ZINC001574684946 948897233 /nfs/dbraw/zinc/89/72/33/948897233.db2.gz PMPDGPCRUWOLGS-MRVPVSSYSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1cnn(C)n1 ZINC001574684946 948897252 /nfs/dbraw/zinc/89/72/52/948897252.db2.gz PMPDGPCRUWOLGS-MRVPVSSYSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001574685062 948900171 /nfs/dbraw/zinc/90/01/71/948900171.db2.gz RTKIWYRRHCVVPZ-PWSUYJOCSA-N -1 3 390.423 0.766 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001574685062 948900184 /nfs/dbraw/zinc/90/01/84/948900184.db2.gz RTKIWYRRHCVVPZ-PWSUYJOCSA-N -1 3 390.423 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574920459 948901807 /nfs/dbraw/zinc/90/18/07/948901807.db2.gz LTROFGCNOLGJSZ-NSHDSACASA-N -1 3 387.423 0.708 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574920459 948901822 /nfs/dbraw/zinc/90/18/22/948901822.db2.gz LTROFGCNOLGJSZ-NSHDSACASA-N -1 3 387.423 0.708 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001574685082 948904988 /nfs/dbraw/zinc/90/49/88/948904988.db2.gz SAQJTSNLOFECEF-QWRGUYRKSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001574685082 948905004 /nfs/dbraw/zinc/90/50/04/948905004.db2.gz SAQJTSNLOFECEF-QWRGUYRKSA-N -1 3 390.423 0.576 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1cnc[nH]1 ZINC001573765459 948908072 /nfs/dbraw/zinc/90/80/72/948908072.db2.gz HUUVEAXUUUYAOD-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)c1cnc[nH]1 ZINC001573765459 948908087 /nfs/dbraw/zinc/90/80/87/948908087.db2.gz HUUVEAXUUUYAOD-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1COC(=O)C1 ZINC001574685454 948910273 /nfs/dbraw/zinc/91/02/73/948910273.db2.gz WQJCTHBQCJPOEY-VHSXEESVSA-N -1 3 377.380 0.661 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1COC(=O)C1 ZINC001574685454 948910278 /nfs/dbraw/zinc/91/02/78/948910278.db2.gz WQJCTHBQCJPOEY-VHSXEESVSA-N -1 3 377.380 0.661 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574685469 948911904 /nfs/dbraw/zinc/91/19/04/948911904.db2.gz XAZXPNVJLCRHNM-QGHHPUGFSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574685469 948911914 /nfs/dbraw/zinc/91/19/14/948911914.db2.gz XAZXPNVJLCRHNM-QGHHPUGFSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574685648 948914142 /nfs/dbraw/zinc/91/41/42/948914142.db2.gz YLMCRBOJMWCUPQ-QWRGUYRKSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574685648 948914152 /nfs/dbraw/zinc/91/41/52/948914152.db2.gz YLMCRBOJMWCUPQ-QWRGUYRKSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1cn(C)nn1 ZINC001574685637 948915376 /nfs/dbraw/zinc/91/53/76/948915376.db2.gz YHAGCIKFZIERAX-QMMMGPOBSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1cn(C)nn1 ZINC001574685637 948915387 /nfs/dbraw/zinc/91/53/87/948915387.db2.gz YHAGCIKFZIERAX-QMMMGPOBSA-N -1 3 376.812 0.664 20 0 GCADHM CC(C)c1nc(CN[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001574427772 948915788 /nfs/dbraw/zinc/91/57/88/948915788.db2.gz NYWOTZLTVBPILK-UMSPYCQHSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001574427772 948915799 /nfs/dbraw/zinc/91/57/99/948915799.db2.gz NYWOTZLTVBPILK-UMSPYCQHSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574921142 948916592 /nfs/dbraw/zinc/91/65/92/948916592.db2.gz TWQPVBOSTPYOMC-LLVKDONJSA-N -1 3 385.407 0.988 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574921142 948916605 /nfs/dbraw/zinc/91/66/05/948916605.db2.gz TWQPVBOSTPYOMC-LLVKDONJSA-N -1 3 385.407 0.988 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CO[C@@H]1CCOC1 ZINC001574685770 948916971 /nfs/dbraw/zinc/91/69/71/948916971.db2.gz AZLUJPDLZVTEMT-ZYHUDNBSSA-N -1 3 379.396 0.513 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CO[C@@H]1CCOC1 ZINC001574685770 948916984 /nfs/dbraw/zinc/91/69/84/948916984.db2.gz AZLUJPDLZVTEMT-ZYHUDNBSSA-N -1 3 379.396 0.513 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCO1 ZINC001574088294 948918230 /nfs/dbraw/zinc/91/82/30/948918230.db2.gz AJOHFZISTWAGEK-XHDPSFHLSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCO1 ZINC001574088294 948918241 /nfs/dbraw/zinc/91/82/41/948918241.db2.gz AJOHFZISTWAGEK-XHDPSFHLSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CO[C@H]1CCOC1 ZINC001574685769 948919264 /nfs/dbraw/zinc/91/92/64/948919264.db2.gz AZLUJPDLZVTEMT-PWSUYJOCSA-N -1 3 379.396 0.513 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CO[C@H]1CCOC1 ZINC001574685769 948919270 /nfs/dbraw/zinc/91/92/70/948919270.db2.gz AZLUJPDLZVTEMT-PWSUYJOCSA-N -1 3 379.396 0.513 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574921362 948921259 /nfs/dbraw/zinc/92/12/59/948921259.db2.gz VOXWFOAAQULANL-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574921362 948921273 /nfs/dbraw/zinc/92/12/73/948921273.db2.gz VOXWFOAAQULANL-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)c1cnc[nH]1 ZINC001573765738 948923063 /nfs/dbraw/zinc/92/30/63/948923063.db2.gz BSJFHJBPWXLNPX-QWRGUYRKSA-N -1 3 380.416 0.147 20 0 GCADHM CC(C)(C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C1CCC1 ZINC001573765784 948923518 /nfs/dbraw/zinc/92/35/18/948923518.db2.gz GSWCYDAQHSQLBY-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C1CCC1 ZINC001573765784 948923526 /nfs/dbraw/zinc/92/35/26/948923526.db2.gz GSWCYDAQHSQLBY-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574921464 948926010 /nfs/dbraw/zinc/92/60/10/948926010.db2.gz YEZZFDABUDZFKM-NSHDSACASA-N -1 3 385.407 0.988 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574921464 948926020 /nfs/dbraw/zinc/92/60/20/948926020.db2.gz YEZZFDABUDZFKM-NSHDSACASA-N -1 3 385.407 0.988 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574432254 948931460 /nfs/dbraw/zinc/93/14/60/948931460.db2.gz GTBLPMBALPPXFH-GFCCVEGCSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574432254 948931473 /nfs/dbraw/zinc/93/14/73/948931473.db2.gz GTBLPMBALPPXFH-GFCCVEGCSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574432438 948933333 /nfs/dbraw/zinc/93/33/33/948933333.db2.gz JOOZLOSEOUIIHZ-LBPRGKRZSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574432438 948933342 /nfs/dbraw/zinc/93/33/42/948933342.db2.gz JOOZLOSEOUIIHZ-LBPRGKRZSA-N -1 3 383.416 0.378 20 0 GCADHM C[C@H](CNC(=O)CCn1cncn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574923107 948934056 /nfs/dbraw/zinc/93/40/56/948934056.db2.gz DRJYGGHSIGZYSQ-SECBINFHSA-N -1 3 376.812 0.514 20 0 GCADHM C[C@H](CNC(=O)CCn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574923107 948934065 /nfs/dbraw/zinc/93/40/65/948934065.db2.gz DRJYGGHSIGZYSQ-SECBINFHSA-N -1 3 376.812 0.514 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574088909 948938434 /nfs/dbraw/zinc/93/84/34/948938434.db2.gz HEWCQLQFRHMCJA-UGSOOPFHSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574088909 948938444 /nfs/dbraw/zinc/93/84/44/948938444.db2.gz HEWCQLQFRHMCJA-UGSOOPFHSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574923227 948938365 /nfs/dbraw/zinc/93/83/65/948938365.db2.gz HVWNFIGIKRFSSM-LLVKDONJSA-N -1 3 386.391 0.569 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574923227 948938380 /nfs/dbraw/zinc/93/83/80/948938380.db2.gz HVWNFIGIKRFSSM-LLVKDONJSA-N -1 3 386.391 0.569 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCc1cnn(C)n1 ZINC001574686606 948938588 /nfs/dbraw/zinc/93/85/88/948938588.db2.gz KHRTWVKANHZMBU-JTQLQIEISA-N -1 3 388.411 0.469 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCc1cnn(C)n1 ZINC001574686606 948938601 /nfs/dbraw/zinc/93/86/01/948938601.db2.gz KHRTWVKANHZMBU-JTQLQIEISA-N -1 3 388.411 0.469 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574432896 948942074 /nfs/dbraw/zinc/94/20/74/948942074.db2.gz OQXQIDHKDMLBDV-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574432896 948942084 /nfs/dbraw/zinc/94/20/84/948942084.db2.gz OQXQIDHKDMLBDV-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574432960 948944552 /nfs/dbraw/zinc/94/45/52/948944552.db2.gz QNQWTSUHJNVBIJ-NWDGAFQWSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574432960 948944567 /nfs/dbraw/zinc/94/45/67/948944567.db2.gz QNQWTSUHJNVBIJ-NWDGAFQWSA-N -1 3 384.448 0.982 20 0 GCADHM C[C@H](CNC(=O)CCn1ccnn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574923317 948945705 /nfs/dbraw/zinc/94/57/05/948945705.db2.gz JKLDVYUKDBBLHJ-SECBINFHSA-N -1 3 376.812 0.514 20 0 GCADHM C[C@H](CNC(=O)CCn1ccnn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574923317 948945723 /nfs/dbraw/zinc/94/57/23/948945723.db2.gz JKLDVYUKDBBLHJ-SECBINFHSA-N -1 3 376.812 0.514 20 0 GCADHM CC(C)c1nnc(CN2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001574433094 948946850 /nfs/dbraw/zinc/94/68/50/948946850.db2.gz GKRSZGBTBOXUQM-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1nnc(CN2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001574433094 948946863 /nfs/dbraw/zinc/94/68/63/948946863.db2.gz GKRSZGBTBOXUQM-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574923416 948948053 /nfs/dbraw/zinc/94/80/53/948948053.db2.gz LVWNWAVNDJIUDL-ZDUSSCGKSA-N -1 3 382.428 0.678 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574923416 948948063 /nfs/dbraw/zinc/94/80/63/948948063.db2.gz LVWNWAVNDJIUDL-ZDUSSCGKSA-N -1 3 382.428 0.678 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001575237887 948948115 /nfs/dbraw/zinc/94/81/15/948948115.db2.gz ISFZEUNLIMYQEP-YPMHNXCESA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001575237887 948948131 /nfs/dbraw/zinc/94/81/31/948948131.db2.gz ISFZEUNLIMYQEP-YPMHNXCESA-N -1 3 381.387 0.753 20 0 GCADHM CC(C)c1nnc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001574433153 948950222 /nfs/dbraw/zinc/95/02/22/948950222.db2.gz IZFQBGIAKAUVRD-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001574433153 948950231 /nfs/dbraw/zinc/95/02/31/948950231.db2.gz IZFQBGIAKAUVRD-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)(C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1c[nH]cn1 ZINC001573771905 948950460 /nfs/dbraw/zinc/95/04/60/948950460.db2.gz NYFJYEOJVDGBTG-UHFFFAOYSA-N -1 3 383.416 0.274 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574687496 948951784 /nfs/dbraw/zinc/95/17/84/948951784.db2.gz PNOUDWWASOCFMA-FVMDXXJSSA-N -1 3 376.396 0.376 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574687496 948951796 /nfs/dbraw/zinc/95/17/96/948951796.db2.gz PNOUDWWASOCFMA-FVMDXXJSSA-N -1 3 376.396 0.376 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574433374 948953116 /nfs/dbraw/zinc/95/31/16/948953116.db2.gz WQFJLMNERHLCFE-LBPRGKRZSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574433374 948953130 /nfs/dbraw/zinc/95/31/30/948953130.db2.gz WQFJLMNERHLCFE-LBPRGKRZSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574433454 948955309 /nfs/dbraw/zinc/95/53/09/948955309.db2.gz NWDIHFRWTLEMNF-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574433454 948955317 /nfs/dbraw/zinc/95/53/17/948955317.db2.gz NWDIHFRWTLEMNF-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1cnccc1=O ZINC001574688327 948958794 /nfs/dbraw/zinc/95/87/94/948958794.db2.gz UFDNVBIQERLDTA-GFCCVEGCSA-N -1 3 383.416 0.215 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1cnccc1=O ZINC001574688327 948958801 /nfs/dbraw/zinc/95/88/01/948958801.db2.gz UFDNVBIQERLDTA-GFCCVEGCSA-N -1 3 383.416 0.215 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001574688310 948959217 /nfs/dbraw/zinc/95/92/17/948959217.db2.gz SXPLNCBRUAKHJG-QMMMGPOBSA-N -1 3 387.379 0.448 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001574688310 948959235 /nfs/dbraw/zinc/95/92/35/948959235.db2.gz SXPLNCBRUAKHJG-QMMMGPOBSA-N -1 3 387.379 0.448 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574433620 948960198 /nfs/dbraw/zinc/96/01/98/948960198.db2.gz ZGKMDHNZGVZUGE-GFCCVEGCSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574433620 948960210 /nfs/dbraw/zinc/96/02/10/948960210.db2.gz ZGKMDHNZGVZUGE-GFCCVEGCSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574433609 948960410 /nfs/dbraw/zinc/96/04/10/948960410.db2.gz YWVJTPMGDRQTEF-UHFFFAOYSA-N -1 3 382.432 0.738 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574433609 948960419 /nfs/dbraw/zinc/96/04/19/948960419.db2.gz YWVJTPMGDRQTEF-UHFFFAOYSA-N -1 3 382.432 0.738 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C1CC1 ZINC001573772419 948961406 /nfs/dbraw/zinc/96/14/06/948961406.db2.gz BQLYTDLRICYLEM-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C1CC1 ZINC001573772419 948961419 /nfs/dbraw/zinc/96/14/19/948961419.db2.gz BQLYTDLRICYLEM-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cc(=O)n(C)cn1 ZINC001574688602 948964619 /nfs/dbraw/zinc/96/46/19/948964619.db2.gz VYUZWFSWMBIAPM-VIFPVBQESA-N -1 3 387.379 0.115 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cc(=O)n(C)cn1 ZINC001574688602 948964634 /nfs/dbraw/zinc/96/46/34/948964634.db2.gz VYUZWFSWMBIAPM-VIFPVBQESA-N -1 3 387.379 0.115 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001575239828 948965281 /nfs/dbraw/zinc/96/52/81/948965281.db2.gz VSJMIKRRBLYTIB-NEPJUHHUSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001575239828 948965288 /nfs/dbraw/zinc/96/52/88/948965288.db2.gz VSJMIKRRBLYTIB-NEPJUHHUSA-N -1 3 381.387 0.753 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574089774 948965983 /nfs/dbraw/zinc/96/59/83/948965983.db2.gz KPGKZWNUWUZRMP-SJCJKPOMSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574089774 948965988 /nfs/dbraw/zinc/96/59/88/948965988.db2.gz KPGKZWNUWUZRMP-SJCJKPOMSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001574688664 948967385 /nfs/dbraw/zinc/96/73/85/948967385.db2.gz XLWSTAHYSSYIEL-SNVBAGLBSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001574688664 948967396 /nfs/dbraw/zinc/96/73/96/948967396.db2.gz XLWSTAHYSSYIEL-SNVBAGLBSA-N -1 3 381.462 0.392 20 0 GCADHM CC(F)(F)CCC(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575240074 948968073 /nfs/dbraw/zinc/96/80/73/948968073.db2.gz YIBXFPSDHGZQTJ-UHFFFAOYSA-N -1 3 380.399 0.965 20 0 GCADHM CC(F)(F)CCC(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575240074 948968079 /nfs/dbraw/zinc/96/80/79/948968079.db2.gz YIBXFPSDHGZQTJ-UHFFFAOYSA-N -1 3 380.399 0.965 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C1CC1 ZINC001573773297 948978773 /nfs/dbraw/zinc/97/87/73/948978773.db2.gz JNWLUUTZQZRHRJ-SMDDNHRTSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C1CC1 ZINC001573773297 948978784 /nfs/dbraw/zinc/97/87/84/948978784.db2.gz JNWLUUTZQZRHRJ-SMDDNHRTSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CNC(=O)CN(C)Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574926031 948984061 /nfs/dbraw/zinc/98/40/61/948984061.db2.gz GUAKRYMUDHWLHT-ZDUSSCGKSA-N -1 3 381.444 0.705 20 0 GCADHM C[C@@H](CNC(=O)CN(C)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574926031 948984082 /nfs/dbraw/zinc/98/40/82/948984082.db2.gz GUAKRYMUDHWLHT-ZDUSSCGKSA-N -1 3 381.444 0.705 20 0 GCADHM C[C@H](CNC(=O)CN(C)Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574926030 948984464 /nfs/dbraw/zinc/98/44/64/948984464.db2.gz GUAKRYMUDHWLHT-CYBMUJFWSA-N -1 3 381.444 0.705 20 0 GCADHM C[C@H](CNC(=O)CN(C)Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574926030 948984475 /nfs/dbraw/zinc/98/44/75/948984475.db2.gz GUAKRYMUDHWLHT-CYBMUJFWSA-N -1 3 381.444 0.705 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574435018 948986115 /nfs/dbraw/zinc/98/61/15/948986115.db2.gz PBIPEQTVXAVQHG-QWRGUYRKSA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574435018 948986137 /nfs/dbraw/zinc/98/61/37/948986137.db2.gz PBIPEQTVXAVQHG-QWRGUYRKSA-N -1 3 385.436 0.377 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cccnc1C(N)=O ZINC001574689557 948986416 /nfs/dbraw/zinc/98/64/16/948986416.db2.gz IOIIHYONWFZYSV-JTQLQIEISA-N -1 3 381.400 0.376 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cccnc1C(N)=O ZINC001574689557 948986431 /nfs/dbraw/zinc/98/64/31/948986431.db2.gz IOIIHYONWFZYSV-JTQLQIEISA-N -1 3 381.400 0.376 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574926335 948994878 /nfs/dbraw/zinc/99/48/78/948994878.db2.gz NVGIZUWTXMRZOR-VIFPVBQESA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574926335 948994891 /nfs/dbraw/zinc/99/48/91/948994891.db2.gz NVGIZUWTXMRZOR-VIFPVBQESA-N -1 3 376.396 0.186 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574435369 948995973 /nfs/dbraw/zinc/99/59/73/948995973.db2.gz ULNNFIXEZIUNNR-QWRGUYRKSA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574435369 948995983 /nfs/dbraw/zinc/99/59/83/948995983.db2.gz ULNNFIXEZIUNNR-QWRGUYRKSA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573774031 948995835 /nfs/dbraw/zinc/99/58/35/948995835.db2.gz PHGWSQFGVBZXOU-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573774031 948995849 /nfs/dbraw/zinc/99/58/49/948995849.db2.gz PHGWSQFGVBZXOU-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574435639 948997152 /nfs/dbraw/zinc/99/71/52/948997152.db2.gz WXWGDKWKJYPSRF-NSHDSACASA-N -1 3 385.436 0.379 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574435639 948997168 /nfs/dbraw/zinc/99/71/68/948997168.db2.gz WXWGDKWKJYPSRF-NSHDSACASA-N -1 3 385.436 0.379 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001573773980 948998001 /nfs/dbraw/zinc/99/80/01/948998001.db2.gz HLSZONRONOIJIZ-GXTWGEPZSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001573773980 948998012 /nfs/dbraw/zinc/99/80/12/948998012.db2.gz HLSZONRONOIJIZ-GXTWGEPZSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573774129 948998964 /nfs/dbraw/zinc/99/89/64/948998964.db2.gz QUSOSCQPQXTCPX-CYBMUJFWSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573774129 948998973 /nfs/dbraw/zinc/99/89/73/948998973.db2.gz QUSOSCQPQXTCPX-CYBMUJFWSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574926350 948999449 /nfs/dbraw/zinc/99/94/49/948999449.db2.gz ODWGONHCHYVHTM-GFCCVEGCSA-N -1 3 389.435 0.565 20 0 GCADHM CC(C)c1noc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574439121 949000966 /nfs/dbraw/zinc/00/09/66/949000966.db2.gz AAWLDWJLZDZYMI-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM CC(C)c1noc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574439121 949000976 /nfs/dbraw/zinc/00/09/76/949000976.db2.gz AAWLDWJLZDZYMI-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](F)CCN1CC(n2cc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)nn2)C1 ZINC001575243813 949001542 /nfs/dbraw/zinc/00/15/42/949001542.db2.gz RQZDCOXIDCXCKY-JTQLQIEISA-N -1 3 388.411 0.321 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574926496 949001675 /nfs/dbraw/zinc/00/16/75/949001675.db2.gz SGVJYDAOWOAUSQ-JTQLQIEISA-N -1 3 376.396 0.187 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574926496 949001689 /nfs/dbraw/zinc/00/16/89/949001689.db2.gz SGVJYDAOWOAUSQ-JTQLQIEISA-N -1 3 376.396 0.187 20 0 GCADHM CC(C)c1nnsc1C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574439211 949001951 /nfs/dbraw/zinc/00/19/51/949001951.db2.gz CQCLWTAZUYJAJP-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM CC(C)c1nnsc1C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574439211 949001965 /nfs/dbraw/zinc/00/19/65/949001965.db2.gz CQCLWTAZUYJAJP-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439514 949005667 /nfs/dbraw/zinc/00/56/67/949005667.db2.gz GFAUDEKDBJLXQQ-UWVGGRQHSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439514 949005684 /nfs/dbraw/zinc/00/56/84/949005684.db2.gz GFAUDEKDBJLXQQ-UWVGGRQHSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)n1 ZINC001574439463 949006857 /nfs/dbraw/zinc/00/68/57/949006857.db2.gz FKNHYRVARXOJLX-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)n1 ZINC001574439463 949006869 /nfs/dbraw/zinc/00/68/69/949006869.db2.gz FKNHYRVARXOJLX-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575501346 949009193 /nfs/dbraw/zinc/00/91/93/949009193.db2.gz HDRWSCQIUUCLBN-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575501346 949009208 /nfs/dbraw/zinc/00/92/08/949009208.db2.gz HDRWSCQIUUCLBN-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](F)CCN1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3nn[n-]n3)[nH]1)O2 ZINC001575244191 949009800 /nfs/dbraw/zinc/00/98/00/949009800.db2.gz XKNHUHGDBNBCKY-RYUDHWBXSA-N -1 3 377.424 0.906 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439890 949016162 /nfs/dbraw/zinc/01/61/62/949016162.db2.gz LPAHZDZHRRMHDF-VHSXEESVSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439890 949016174 /nfs/dbraw/zinc/01/61/74/949016174.db2.gz LPAHZDZHRRMHDF-VHSXEESVSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574926759 949020704 /nfs/dbraw/zinc/02/07/04/949020704.db2.gz WYZHBZYILROPAC-ZDUSSCGKSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574926759 949020681 /nfs/dbraw/zinc/02/06/81/949020681.db2.gz WYZHBZYILROPAC-ZDUSSCGKSA-N -1 3 386.460 0.971 20 0 GCADHM CC(C)c1noc(CN2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574440090 949021841 /nfs/dbraw/zinc/02/18/41/949021841.db2.gz NBRYAMIHTYSUJB-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1noc(CN2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574440090 949021858 /nfs/dbraw/zinc/02/18/58/949021858.db2.gz NBRYAMIHTYSUJB-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574691410 949021905 /nfs/dbraw/zinc/02/19/05/949021905.db2.gz XJPHSDCREZOTDX-JTQLQIEISA-N -1 3 385.436 0.624 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001574691410 949021924 /nfs/dbraw/zinc/02/19/24/949021924.db2.gz XJPHSDCREZOTDX-JTQLQIEISA-N -1 3 385.436 0.624 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574440099 949022959 /nfs/dbraw/zinc/02/29/59/949022959.db2.gz NJIJNVDQLRMOFT-MWLCHTKSSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440099 949022978 /nfs/dbraw/zinc/02/29/78/949022978.db2.gz NJIJNVDQLRMOFT-MWLCHTKSSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574926823 949028240 /nfs/dbraw/zinc/02/82/40/949028240.db2.gz YCHPZOUYUWRECS-VIFPVBQESA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574926823 949028226 /nfs/dbraw/zinc/02/82/26/949028226.db2.gz YCHPZOUYUWRECS-VIFPVBQESA-N -1 3 392.851 0.700 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)n1 ZINC001574440672 949032847 /nfs/dbraw/zinc/03/28/47/949032847.db2.gz BWCJHLZLRFFYBL-MNOVXSKESA-N -1 3 389.445 0.149 20 0 GCADHM CC(C)c1nsc(N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)n1 ZINC001574440672 949032867 /nfs/dbraw/zinc/03/28/67/949032867.db2.gz BWCJHLZLRFFYBL-MNOVXSKESA-N -1 3 389.445 0.149 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573775270 949037475 /nfs/dbraw/zinc/03/74/75/949037475.db2.gz VHCDTVOSEQURDQ-AWEZNQCLSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573775270 949037492 /nfs/dbraw/zinc/03/74/92/949037492.db2.gz VHCDTVOSEQURDQ-AWEZNQCLSA-N -1 3 382.428 0.524 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574927262 949038787 /nfs/dbraw/zinc/03/87/87/949038787.db2.gz IGIGLOUXHGHQSE-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574927262 949038771 /nfs/dbraw/zinc/03/87/71/949038771.db2.gz IGIGLOUXHGHQSE-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575246605 949039228 /nfs/dbraw/zinc/03/92/28/949039228.db2.gz HBPLOBZGGZQBAJ-VXGBXAGGSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575246605 949039234 /nfs/dbraw/zinc/03/92/34/949039234.db2.gz HBPLOBZGGZQBAJ-VXGBXAGGSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574927203 949041143 /nfs/dbraw/zinc/04/11/43/949041143.db2.gz HDVWUABMPJFQOB-SECBINFHSA-N -1 3 392.851 0.382 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574927203 949041128 /nfs/dbraw/zinc/04/11/28/949041128.db2.gz HDVWUABMPJFQOB-SECBINFHSA-N -1 3 392.851 0.382 20 0 GCADHM CC(C)c1noc(CN[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)n1 ZINC001574440875 949042380 /nfs/dbraw/zinc/04/23/80/949042380.db2.gz XPVGCSCZUKSHTH-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CN[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)n1 ZINC001574440875 949042399 /nfs/dbraw/zinc/04/23/99/949042399.db2.gz XPVGCSCZUKSHTH-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCCO1 ZINC001573775536 949043849 /nfs/dbraw/zinc/04/38/49/949043849.db2.gz YSCWWEZVNJAGTI-UKRRQHHQSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCCO1 ZINC001573775536 949043866 /nfs/dbraw/zinc/04/38/66/949043866.db2.gz YSCWWEZVNJAGTI-UKRRQHHQSA-N -1 3 389.460 0.746 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574927752 949044836 /nfs/dbraw/zinc/04/48/36/949044836.db2.gz KJWZJLUNBGGJKR-LBPRGKRZSA-N -1 3 387.448 0.231 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574927752 949044857 /nfs/dbraw/zinc/04/48/57/949044857.db2.gz KJWZJLUNBGGJKR-LBPRGKRZSA-N -1 3 387.448 0.231 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1c[nH]cn1 ZINC001573778955 949047548 /nfs/dbraw/zinc/04/75/48/949047548.db2.gz AQNNGEQKDVDYOT-LLVKDONJSA-N -1 3 382.432 0.300 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1c[nH]cn1 ZINC001573778956 949048119 /nfs/dbraw/zinc/04/81/19/949048119.db2.gz AQNNGEQKDVDYOT-NSHDSACASA-N -1 3 382.432 0.300 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574927850 949050784 /nfs/dbraw/zinc/05/07/84/949050784.db2.gz LWDALEKOBASSAJ-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574927850 949050802 /nfs/dbraw/zinc/05/08/02/949050802.db2.gz LWDALEKOBASSAJ-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574092190 949050796 /nfs/dbraw/zinc/05/07/96/949050796.db2.gz QRAZJGLRTJCOTQ-QWHCGFSZSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574092190 949050820 /nfs/dbraw/zinc/05/08/20/949050820.db2.gz QRAZJGLRTJCOTQ-QWHCGFSZSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(F)F ZINC001573778945 949050962 /nfs/dbraw/zinc/05/09/62/949050962.db2.gz AFNJUBSSGQTKDW-MRXNPFEDSA-N -1 3 381.387 0.610 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(F)F ZINC001573778945 949050983 /nfs/dbraw/zinc/05/09/83/949050983.db2.gz AFNJUBSSGQTKDW-MRXNPFEDSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574693387 949053366 /nfs/dbraw/zinc/05/33/66/949053366.db2.gz GWDVJFPISWOZCT-SNVBAGLBSA-N -1 3 385.432 0.472 20 0 GCADHM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001575503965 949053848 /nfs/dbraw/zinc/05/38/48/949053848.db2.gz QOTCSSTZWBWDPW-HVOFVXBASA-N -1 3 392.423 0.675 20 0 GCADHM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001575503965 949053870 /nfs/dbraw/zinc/05/38/70/949053870.db2.gz QOTCSSTZWBWDPW-HVOFVXBASA-N -1 3 392.423 0.675 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575247961 949055062 /nfs/dbraw/zinc/05/50/62/949055062.db2.gz MFBMLIFIFNWRLF-NWDGAFQWSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575247961 949055079 /nfs/dbraw/zinc/05/50/79/949055079.db2.gz MFBMLIFIFNWRLF-NWDGAFQWSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575247946 949056774 /nfs/dbraw/zinc/05/67/74/949056774.db2.gz MBDWNOISGHVIAU-LLVKDONJSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575247946 949056754 /nfs/dbraw/zinc/05/67/54/949056754.db2.gz MBDWNOISGHVIAU-LLVKDONJSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575504056 949060345 /nfs/dbraw/zinc/06/03/45/949060345.db2.gz RHYSGQASDQVMQK-AAEUAGOBSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575504056 949060360 /nfs/dbraw/zinc/06/03/60/949060360.db2.gz RHYSGQASDQVMQK-AAEUAGOBSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1ncccc1-c1nnn[n-]1 ZINC001574928859 949062365 /nfs/dbraw/zinc/06/23/65/949062365.db2.gz RSHQQPLWERAVHE-SNVBAGLBSA-N -1 3 386.441 0.670 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1ncccc1-c1nn[n-]n1 ZINC001574928859 949062383 /nfs/dbraw/zinc/06/23/83/949062383.db2.gz RSHQQPLWERAVHE-SNVBAGLBSA-N -1 3 386.441 0.670 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575504259 949062335 /nfs/dbraw/zinc/06/23/35/949062335.db2.gz PFGUAWZZZPHUED-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575504259 949062346 /nfs/dbraw/zinc/06/23/46/949062346.db2.gz PFGUAWZZZPHUED-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001575504252 949062751 /nfs/dbraw/zinc/06/27/51/949062751.db2.gz OZSYBLKAQOQQQW-SNVBAGLBSA-N -1 3 384.400 0.569 20 0 GCADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCc1cn(C)c(=O)[nH]c1=O ZINC001575504252 949062771 /nfs/dbraw/zinc/06/27/71/949062771.db2.gz OZSYBLKAQOQQQW-SNVBAGLBSA-N -1 3 384.400 0.569 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574928962 949067742 /nfs/dbraw/zinc/06/77/42/949067742.db2.gz UMDAYIOGUKXUPK-NSHDSACASA-N -1 3 381.400 0.003 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccncc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574928962 949067759 /nfs/dbraw/zinc/06/77/59/949067759.db2.gz UMDAYIOGUKXUPK-NSHDSACASA-N -1 3 381.400 0.003 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574929028 949074561 /nfs/dbraw/zinc/07/45/61/949074561.db2.gz WBHGJFZXCRVSHW-LBPRGKRZSA-N -1 3 380.412 0.608 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574929028 949074571 /nfs/dbraw/zinc/07/45/71/949074571.db2.gz WBHGJFZXCRVSHW-LBPRGKRZSA-N -1 3 380.412 0.608 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1ncccc1-c1nn[n-]n1 ZINC001574929089 949078456 /nfs/dbraw/zinc/07/84/56/949078456.db2.gz XXFNKXIDKOIZGO-GFCCVEGCSA-N -1 3 387.448 0.231 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)CNc1ncccc1-c1nnn[n-]1 ZINC001574929089 949078436 /nfs/dbraw/zinc/07/84/36/949078436.db2.gz XXFNKXIDKOIZGO-GFCCVEGCSA-N -1 3 387.448 0.231 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575248861 949078533 /nfs/dbraw/zinc/07/85/33/949078533.db2.gz WQQZGDDZFBDJOZ-NEPJUHHUSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575248861 949078552 /nfs/dbraw/zinc/07/85/52/949078552.db2.gz WQQZGDDZFBDJOZ-NEPJUHHUSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CC1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574929071 949078886 /nfs/dbraw/zinc/07/88/86/949078886.db2.gz XMRDPBKLBMCTJJ-JTQLQIEISA-N -1 3 375.408 0.696 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CC1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574929071 949078868 /nfs/dbraw/zinc/07/88/68/949078868.db2.gz XMRDPBKLBMCTJJ-JTQLQIEISA-N -1 3 375.408 0.696 20 0 GCADHM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574929247 949086995 /nfs/dbraw/zinc/08/69/95/949086995.db2.gz BLSMHFFCONQQAE-LLVKDONJSA-N -1 3 384.400 0.496 20 0 GCADHM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574929247 949087007 /nfs/dbraw/zinc/08/70/07/949087007.db2.gz BLSMHFFCONQQAE-LLVKDONJSA-N -1 3 384.400 0.496 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1c[nH]cn1 ZINC001573780353 949090753 /nfs/dbraw/zinc/09/07/53/949090753.db2.gz WQUZPJQNEKSWLG-LBPRGKRZSA-N -1 3 381.444 0.905 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1c[nH]cn1 ZINC001573780353 949090773 /nfs/dbraw/zinc/09/07/73/949090773.db2.gz WQUZPJQNEKSWLG-LBPRGKRZSA-N -1 3 381.444 0.905 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574442166 949091232 /nfs/dbraw/zinc/09/12/32/949091232.db2.gz KYKGEIWPZBOUAB-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574442166 949091252 /nfs/dbraw/zinc/09/12/52/949091252.db2.gz KYKGEIWPZBOUAB-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575504880 949094057 /nfs/dbraw/zinc/09/40/57/949094057.db2.gz WAGVIFPJRPBTKK-UHNFBRDESA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001575504879 949095340 /nfs/dbraw/zinc/09/53/40/949095340.db2.gz WAGVIFPJRPBTKK-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575504877 949095827 /nfs/dbraw/zinc/09/58/27/949095827.db2.gz WAGVIFPJRPBTKK-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574929738 949101620 /nfs/dbraw/zinc/10/16/20/949101620.db2.gz HGXRGXUFQPQQOJ-GFCCVEGCSA-N -1 3 389.460 0.884 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574929738 949101612 /nfs/dbraw/zinc/10/16/12/949101612.db2.gz HGXRGXUFQPQQOJ-GFCCVEGCSA-N -1 3 389.460 0.884 20 0 GCADHM C[C@@H](CCO)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574695132 949104903 /nfs/dbraw/zinc/10/49/03/949104903.db2.gz ZTPUTLKKUYUNRI-GFCCVEGCSA-N -1 3 381.458 0.306 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575249997 949105306 /nfs/dbraw/zinc/10/53/06/949105306.db2.gz CLTWHCSIJVFYMS-ZJUUUORDSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575249997 949105294 /nfs/dbraw/zinc/10/52/94/949105294.db2.gz CLTWHCSIJVFYMS-ZJUUUORDSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575249994 949106114 /nfs/dbraw/zinc/10/61/14/949106114.db2.gz CLTWHCSIJVFYMS-VHSXEESVSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575249994 949106107 /nfs/dbraw/zinc/10/61/07/949106107.db2.gz CLTWHCSIJVFYMS-VHSXEESVSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(S(N)(=O)=O)nc1 ZINC001575508995 949106323 /nfs/dbraw/zinc/10/63/23/949106323.db2.gz AXSASURTYZGSMM-SNVBAGLBSA-N -1 3 387.425 0.742 20 0 GCADHM CC(C)c1noc(CN[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574443452 949107430 /nfs/dbraw/zinc/10/74/30/949107430.db2.gz YMPKUBZNZDENIB-UMSPYCQHSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CN[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574443452 949107442 /nfs/dbraw/zinc/10/74/42/949107442.db2.gz YMPKUBZNZDENIB-UMSPYCQHSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)F ZINC001573781597 949107875 /nfs/dbraw/zinc/10/78/75/949107875.db2.gz JWCRLQUSLTXXHP-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)F ZINC001573781597 949107880 /nfs/dbraw/zinc/10/78/80/949107880.db2.gz JWCRLQUSLTXXHP-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574443256 949109593 /nfs/dbraw/zinc/10/95/93/949109593.db2.gz WRKRWSUTVBTQJS-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574443256 949109607 /nfs/dbraw/zinc/10/96/07/949109607.db2.gz WRKRWSUTVBTQJS-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574445752 949112247 /nfs/dbraw/zinc/11/22/47/949112247.db2.gz BPHTVHHVLUYDGI-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574445752 949112259 /nfs/dbraw/zinc/11/22/59/949112259.db2.gz BPHTVHHVLUYDGI-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575250947 949121896 /nfs/dbraw/zinc/12/18/96/949121896.db2.gz JGLABQVKIVOZIW-CHWSQXEVSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575250947 949121884 /nfs/dbraw/zinc/12/18/84/949121884.db2.gz JGLABQVKIVOZIW-CHWSQXEVSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575250978 949121964 /nfs/dbraw/zinc/12/19/64/949121964.db2.gz JPHZHIZKVRWRDB-MNOVXSKESA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574931683 949121867 /nfs/dbraw/zinc/12/18/67/949121867.db2.gz QSOGPFIDZKEYIP-CMPLNLGQSA-N -1 3 379.396 0.371 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574931683 949121856 /nfs/dbraw/zinc/12/18/56/949121856.db2.gz QSOGPFIDZKEYIP-CMPLNLGQSA-N -1 3 379.396 0.371 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575250978 949121944 /nfs/dbraw/zinc/12/19/44/949121944.db2.gz JPHZHIZKVRWRDB-MNOVXSKESA-N -1 3 383.416 0.229 20 0 GCADHM CC(C)(C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1c[nH]cn1 ZINC001573782494 949125302 /nfs/dbraw/zinc/12/53/02/949125302.db2.gz VBHNISDPZRRNNR-UHFFFAOYSA-N -1 3 383.416 0.084 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574932104 949128629 /nfs/dbraw/zinc/12/86/29/949128629.db2.gz VDGGMDMVURCIDM-JQWIXIFHSA-N -1 3 379.396 0.513 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574932104 949128643 /nfs/dbraw/zinc/12/86/43/949128643.db2.gz VDGGMDMVURCIDM-JQWIXIFHSA-N -1 3 379.396 0.513 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)C(F)F ZINC001573782993 949136360 /nfs/dbraw/zinc/13/63/60/949136360.db2.gz ZOYXJTVRTIIZQM-LLVKDONJSA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)C(F)F ZINC001573782993 949136368 /nfs/dbraw/zinc/13/63/68/949136368.db2.gz ZOYXJTVRTIIZQM-LLVKDONJSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575512009 949136980 /nfs/dbraw/zinc/13/69/80/949136980.db2.gz MFULIGUCPZCKCT-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575512009 949136998 /nfs/dbraw/zinc/13/69/98/949136998.db2.gz MFULIGUCPZCKCT-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575512267 949139770 /nfs/dbraw/zinc/13/97/70/949139770.db2.gz NKVFXRJHVMQUMG-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574934042 949145430 /nfs/dbraw/zinc/14/54/30/949145430.db2.gz AUACUQLXZVHTOZ-GFCCVEGCSA-N -1 3 383.412 0.756 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574934042 949145450 /nfs/dbraw/zinc/14/54/50/949145450.db2.gz AUACUQLXZVHTOZ-GFCCVEGCSA-N -1 3 383.412 0.756 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)c1c[nH]cn1 ZINC001573783184 949146235 /nfs/dbraw/zinc/14/62/35/949146235.db2.gz WPNZMSFNRWYVRW-LLVKDONJSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574446989 949150310 /nfs/dbraw/zinc/15/03/10/949150310.db2.gz FAURWZSTNGWXOZ-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574446989 949150324 /nfs/dbraw/zinc/15/03/24/949150324.db2.gz FAURWZSTNGWXOZ-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)COCc1nncn1C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574934342 949154421 /nfs/dbraw/zinc/15/44/21/949154421.db2.gz FRNWWKAMOGSMRG-JTQLQIEISA-N -1 3 389.395 0.268 20 0 GCADHM C[C@@H](CNC(=O)COCc1nncn1C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574934342 949154433 /nfs/dbraw/zinc/15/44/33/949154433.db2.gz FRNWWKAMOGSMRG-JTQLQIEISA-N -1 3 389.395 0.268 20 0 GCADHM C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574934411 949159997 /nfs/dbraw/zinc/15/99/97/949159997.db2.gz HOPGIYUGGMYYEF-SNVBAGLBSA-N -1 3 381.462 0.392 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001574447480 949161478 /nfs/dbraw/zinc/16/14/78/949161478.db2.gz PNBJZNBHTMIBPW-NEPJUHHUSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001574447480 949161491 /nfs/dbraw/zinc/16/14/91/949161491.db2.gz PNBJZNBHTMIBPW-NEPJUHHUSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574447527 949163121 /nfs/dbraw/zinc/16/31/21/949163121.db2.gz RMTOESGZRILZRZ-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574447527 949163126 /nfs/dbraw/zinc/16/31/26/949163126.db2.gz RMTOESGZRILZRZ-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574934475 949163161 /nfs/dbraw/zinc/16/31/61/949163161.db2.gz IWNAACOQPKXPQV-NSHDSACASA-N -1 3 381.462 0.026 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574934475 949163172 /nfs/dbraw/zinc/16/31/72/949163172.db2.gz IWNAACOQPKXPQV-NSHDSACASA-N -1 3 381.462 0.026 20 0 GCADHM C[C@H](NC(=O)C(C)(C)F)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575252724 949170932 /nfs/dbraw/zinc/17/09/32/949170932.db2.gz RCSWCJQORVHMDG-CABZTGNLSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@H](NC(=O)C(C)(C)F)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575252724 949170923 /nfs/dbraw/zinc/17/09/23/949170923.db2.gz RCSWCJQORVHMDG-CABZTGNLSA-N -1 3 379.396 0.289 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574448004 949173180 /nfs/dbraw/zinc/17/31/80/949173180.db2.gz BBUNLFCVLZXFCB-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574448004 949173194 /nfs/dbraw/zinc/17/31/94/949173194.db2.gz BBUNLFCVLZXFCB-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574934706 949174922 /nfs/dbraw/zinc/17/49/22/949174922.db2.gz OUPOMVRAQNGQQI-LLVKDONJSA-N -1 3 381.462 0.249 20 0 GCADHM C[C@H](CNC(=O)COc1ccc(F)cc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934747 949175155 /nfs/dbraw/zinc/17/51/55/949175155.db2.gz PTGKSBAHLGWFHU-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)COc1ccc(F)cc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934747 949175171 /nfs/dbraw/zinc/17/51/71/949175171.db2.gz PTGKSBAHLGWFHU-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574934709 949176906 /nfs/dbraw/zinc/17/69/06/949176906.db2.gz OXBDIDTVKTVWFK-VIFPVBQESA-N -1 3 385.425 0.141 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574934709 949176913 /nfs/dbraw/zinc/17/69/13/949176913.db2.gz OXBDIDTVKTVWFK-VIFPVBQESA-N -1 3 385.425 0.141 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574698166 949177312 /nfs/dbraw/zinc/17/73/12/949177312.db2.gz GUICNAVWKMAQSS-MNOVXSKESA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574698166 949177326 /nfs/dbraw/zinc/17/73/26/949177326.db2.gz GUICNAVWKMAQSS-MNOVXSKESA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575253112 949178054 /nfs/dbraw/zinc/17/80/54/949178054.db2.gz ILOYDODGHVYXCM-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575253112 949178028 /nfs/dbraw/zinc/17/80/28/949178028.db2.gz ILOYDODGHVYXCM-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)CC(=O)N(CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574099499 949180110 /nfs/dbraw/zinc/18/01/10/949180110.db2.gz LJMPPKJCCBCJPM-ZDUSSCGKSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N(CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574099499 949180122 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949192283 /nfs/dbraw/zinc/19/22/83/949192283.db2.gz XTPLPLWPNUNBOD-NSHDSACASA-N -1 3 388.407 0.873 20 0 GCADHM CC(C)c1ocnc1CN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574448857 949192313 /nfs/dbraw/zinc/19/23/13/949192313.db2.gz NNUSHAAJTXWKQC-TZMCWYRMSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1ocnc1CN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574448857 949192323 /nfs/dbraw/zinc/19/23/23/949192323.db2.gz NNUSHAAJTXWKQC-TZMCWYRMSA-N -1 3 386.416 0.281 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCC1)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575254147 949198494 /nfs/dbraw/zinc/19/84/94/949198494.db2.gz LOYGDZHJSCCBAQ-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCC1)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575254147 949198509 /nfs/dbraw/zinc/19/85/09/949198509.db2.gz LOYGDZHJSCCBAQ-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573788572 949200017 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/nfs/dbraw/zinc/23/70/17/949237017.db2.gz STVULZKPUMJGPY-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573792165 949240727 /nfs/dbraw/zinc/24/07/27/949240727.db2.gz MDGHUMPROQAVDL-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573792165 949240743 /nfs/dbraw/zinc/24/07/43/949240743.db2.gz MDGHUMPROQAVDL-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001575521013 949253896 /nfs/dbraw/zinc/25/38/96/949253896.db2.gz CLGSNOPGENEOEZ-GXFFZTMASA-N -1 3 384.448 0.525 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001575521013 949253916 /nfs/dbraw/zinc/25/39/16/949253916.db2.gz CLGSNOPGENEOEZ-GXFFZTMASA-N -1 3 384.448 0.525 20 0 GCADHM C[C@H](c1ncccn1)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521166 949254028 /nfs/dbraw/zinc/25/40/28/949254028.db2.gz 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387.444 0.324 20 0 GCADHM CC1(Nc2ncccc2-c2nnn[n-]2)CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001575857142 949262674 /nfs/dbraw/zinc/26/26/74/949262674.db2.gz OHFZXDPJIFWPDE-UHFFFAOYSA-N -1 3 381.400 0.864 20 0 GCADHM CC1(Nc2ncccc2-c2nn[n-]n2)CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001575857142 949262691 /nfs/dbraw/zinc/26/26/91/949262691.db2.gz OHFZXDPJIFWPDE-UHFFFAOYSA-N -1 3 381.400 0.864 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001574452494 949265231 /nfs/dbraw/zinc/26/52/31/949265231.db2.gz LDEGKZIGVRWIRS-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001574452494 949265250 /nfs/dbraw/zinc/26/52/50/949265250.db2.gz LDEGKZIGVRWIRS-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576152855 949266313 /nfs/dbraw/zinc/26/63/13/949266313.db2.gz KCMHFWKVSDFMDW-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576152855 949266326 /nfs/dbraw/zinc/26/63/26/949266326.db2.gz KCMHFWKVSDFMDW-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575257183 949269443 /nfs/dbraw/zinc/26/94/43/949269443.db2.gz YSZHQKVMMVZYHI-JTQLQIEISA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575257183 949269468 /nfs/dbraw/zinc/26/94/68/949269468.db2.gz YSZHQKVMMVZYHI-JTQLQIEISA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)c1nncn1C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575521959 949269950 /nfs/dbraw/zinc/26/99/50/949269950.db2.gz JHQPAFVUCQOYMT-LBPRGKRZSA-N -1 3 386.464 0.867 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)c1nncn1C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575521959 949269975 /nfs/dbraw/zinc/26/99/75/949269975.db2.gz JHQPAFVUCQOYMT-LBPRGKRZSA-N -1 3 386.464 0.867 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001574452856 949270766 /nfs/dbraw/zinc/27/07/66/949270766.db2.gz OOBNXOLEDAPHJM-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001574452856 949270788 /nfs/dbraw/zinc/27/07/88/949270788.db2.gz OOBNXOLEDAPHJM-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1cc(C(=O)NCC[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574452983 949272873 /nfs/dbraw/zinc/27/28/73/949272873.db2.gz UKPCGMLRMMXTGB-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1cc(C(=O)NCC[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574452983 949272892 /nfs/dbraw/zinc/27/28/92/949272892.db2.gz UKPCGMLRMMXTGB-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575522481 949276257 /nfs/dbraw/zinc/27/62/57/949276257.db2.gz MBGNSYDINKRXKK-GXSJLCMTSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575522481 949276279 /nfs/dbraw/zinc/27/62/79/949276279.db2.gz MBGNSYDINKRXKK-GXSJLCMTSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001575522477 949276489 /nfs/dbraw/zinc/27/64/89/949276489.db2.gz LZTPCQIHPUHJBD-JLLWLGSASA-N -1 3 385.457 0.811 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001575522477 949276510 /nfs/dbraw/zinc/27/65/10/949276510.db2.gz LZTPCQIHPUHJBD-JLLWLGSASA-N -1 3 385.457 0.811 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153143 949277182 /nfs/dbraw/zinc/27/71/82/949277182.db2.gz KXKQFTVBFDBZBQ-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153143 949277204 /nfs/dbraw/zinc/27/72/04/949277204.db2.gz KXKQFTVBFDBZBQ-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574940748 949281096 /nfs/dbraw/zinc/28/10/96/949281096.db2.gz JPPDOOQPIAMGAF-SFHVURJKSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574940748 949281116 /nfs/dbraw/zinc/28/11/16/949281116.db2.gz JPPDOOQPIAMGAF-SFHVURJKSA-N -1 3 382.428 0.780 20 0 GCADHM CC(C)n1cc(C(=O)NC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cn1 ZINC001574453170 949282962 /nfs/dbraw/zinc/28/29/62/949282962.db2.gz XWPSGAPZJODBEO-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1cc(C(=O)NC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cn1 ZINC001574453170 949282984 /nfs/dbraw/zinc/28/29/84/949282984.db2.gz XWPSGAPZJODBEO-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)CCCO1 ZINC001575860018 949287735 /nfs/dbraw/zinc/28/77/35/949287735.db2.gz AZDLCSWRASJHDU-MEBBXXQBSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)CCCO1 ZINC001575860018 949287759 /nfs/dbraw/zinc/28/77/59/949287759.db2.gz AZDLCSWRASJHDU-MEBBXXQBSA-N -1 3 385.428 0.856 20 0 GCADHM CC(C)n1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001574454793 949288029 /nfs/dbraw/zinc/28/80/29/949288029.db2.gz FDFIAGCSODEUIJ-STQMWFEESA-N -1 3 382.432 0.466 20 0 GCADHM CC(C)n1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001574454793 949288045 /nfs/dbraw/zinc/28/80/45/949288045.db2.gz FDFIAGCSODEUIJ-STQMWFEESA-N -1 3 382.432 0.466 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCC1(F)F)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575257926 949290192 /nfs/dbraw/zinc/29/01/92/949290192.db2.gz CUDLCIPQGQFLKL-LDYMZIIASA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCC1(F)F)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575257926 949290209 /nfs/dbraw/zinc/29/02/09/949290209.db2.gz CUDLCIPQGQFLKL-LDYMZIIASA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](c1ncccn1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575523454 949291151 /nfs/dbraw/zinc/29/11/51/949291151.db2.gz QEBCBGJADKKAEK-ZRJCITRHSA-N -1 3 379.428 0.654 20 0 GCADHM C[C@H](c1ncccn1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575523454 949291166 /nfs/dbraw/zinc/29/11/66/949291166.db2.gz QEBCBGJADKKAEK-ZRJCITRHSA-N -1 3 379.428 0.654 20 0 GCADHM C[C@H](NC(=O)C1CC(=O)NC(=O)C1)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575258247 949294116 /nfs/dbraw/zinc/29/41/16/949294116.db2.gz GCMYZPVINHILRU-IUCAKERBSA-N -1 3 389.391 0.364 20 0 GCADHM C[C@H](NC(=O)C1CC(=O)NC(=O)C1)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575258247 949294137 /nfs/dbraw/zinc/29/41/37/949294137.db2.gz GCMYZPVINHILRU-IUCAKERBSA-N -1 3 389.391 0.364 20 0 GCADHM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574941199 949294513 /nfs/dbraw/zinc/29/45/13/949294513.db2.gz BPPBJRYLVXBWIL-LLVKDONJSA-N -1 3 382.432 0.349 20 0 GCADHM C[C@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575523520 949295693 /nfs/dbraw/zinc/29/56/93/949295693.db2.gz QRHZYGWLNGAABU-SECBINFHSA-N -1 3 383.416 0.878 20 0 GCADHM C[C@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575523520 949295719 /nfs/dbraw/zinc/29/57/19/949295719.db2.gz QRHZYGWLNGAABU-SECBINFHSA-N -1 3 383.416 0.878 20 0 GCADHM CC(C)n1cc(CN2CC[C@@](C)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574454942 949296557 /nfs/dbraw/zinc/29/65/57/949296557.db2.gz IMINZIDRBKLFOU-QGZVFWFLSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CC[C@@](C)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574454942 949296572 /nfs/dbraw/zinc/29/65/72/949296572.db2.gz IMINZIDRBKLFOU-QGZVFWFLSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)nn1 ZINC001574455283 949298598 /nfs/dbraw/zinc/29/85/98/949298598.db2.gz NMUSRGNMAJWLDI-MLGOLLRUSA-N -1 3 396.459 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)nn1 ZINC001574455283 949298619 /nfs/dbraw/zinc/29/86/19/949298619.db2.gz NMUSRGNMAJWLDI-MLGOLLRUSA-N -1 3 396.459 0.714 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)S(=O)(=O)CCO1 ZINC001575860274 949299195 /nfs/dbraw/zinc/29/91/95/949299195.db2.gz GEVLUTPGJRIYSN-ZDUSSCGKSA-N -1 3 375.410 0.647 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)S(=O)(=O)CCO1 ZINC001575860274 949299213 /nfs/dbraw/zinc/29/92/13/949299213.db2.gz GEVLUTPGJRIYSN-ZDUSSCGKSA-N -1 3 375.410 0.647 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573793497 949299191 /nfs/dbraw/zinc/29/91/91/949299191.db2.gz SDZMUJNPWOGKMG-GHMZBOCLSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573793497 949299214 /nfs/dbraw/zinc/29/92/14/949299214.db2.gz SDZMUJNPWOGKMG-GHMZBOCLSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574455615 949306438 /nfs/dbraw/zinc/30/64/38/949306438.db2.gz RSMRCMXBNGYEFA-SNVBAGLBSA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574455615 949306459 /nfs/dbraw/zinc/30/64/59/949306459.db2.gz RSMRCMXBNGYEFA-SNVBAGLBSA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(CN2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)nn1 ZINC001574455612 949307633 /nfs/dbraw/zinc/30/76/33/949307633.db2.gz RKSRRBBQOGZWRT-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)nn1 ZINC001574455612 949307654 /nfs/dbraw/zinc/30/76/54/949307654.db2.gz RKSRRBBQOGZWRT-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575524063 949307773 /nfs/dbraw/zinc/30/77/73/949307773.db2.gz SCPCUDBZSOSAEX-WCQYABFASA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575524063 949307797 /nfs/dbraw/zinc/30/77/97/949307797.db2.gz SCPCUDBZSOSAEX-WCQYABFASA-N -1 3 384.448 0.621 20 0 GCADHM CC1=C(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001575860633 949308095 /nfs/dbraw/zinc/30/80/95/949308095.db2.gz KJHISMQRTPTCBB-UHFFFAOYSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001575860633 949308117 /nfs/dbraw/zinc/30/81/17/949308117.db2.gz KJHISMQRTPTCBB-UHFFFAOYSA-N -1 3 385.428 0.904 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573793797 949308242 /nfs/dbraw/zinc/30/82/42/949308242.db2.gz ZUXLALCBLJJESM-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573793797 949308269 /nfs/dbraw/zinc/30/82/69/949308269.db2.gz ZUXLALCBLJJESM-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)n1cc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(=O)[nH]c1=O ZINC001574455760 949312948 /nfs/dbraw/zinc/31/29/48/949312948.db2.gz WYTUFQAUOBVWFJ-CYBMUJFWSA-N -1 3 385.384 0.060 20 0 GCADHM CC(C)n1cc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]c1=O ZINC001574455760 949312963 /nfs/dbraw/zinc/31/29/63/949312963.db2.gz WYTUFQAUOBVWFJ-CYBMUJFWSA-N -1 3 385.384 0.060 20 0 GCADHM CC1(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001575524396 949312869 /nfs/dbraw/zinc/31/28/69/949312869.db2.gz HPZJPXNFJQLTJT-UHFFFAOYSA-N -1 3 389.460 0.716 20 0 GCADHM CC1(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001575524396 949312874 /nfs/dbraw/zinc/31/28/74/949312874.db2.gz HPZJPXNFJQLTJT-UHFFFAOYSA-N -1 3 389.460 0.716 20 0 GCADHM C[C@@H](c1ncccn1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575524119 949312968 /nfs/dbraw/zinc/31/29/68/949312968.db2.gz SFWPIFFAMCJPEY-DOERSZECSA-N -1 3 379.428 0.654 20 0 GCADHM C[C@](CNC(=O)Cc1c[nH]cn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574941751 949317039 /nfs/dbraw/zinc/31/70/39/949317039.db2.gz GYWGANWYZBPBKQ-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@H](c1csnn1)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575524480 949317529 /nfs/dbraw/zinc/31/75/29/949317529.db2.gz SYVABBXXHMEUQS-MWLCHTKSSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@H](c1csnn1)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575524480 949317550 /nfs/dbraw/zinc/31/75/50/949317550.db2.gz SYVABBXXHMEUQS-MWLCHTKSSA-N -1 3 389.445 0.238 20 0 GCADHM CC1=C(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001575861258 949317702 /nfs/dbraw/zinc/31/77/02/949317702.db2.gz QWAHTWWJTKLNMU-UHFFFAOYSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001575861258 949317726 /nfs/dbraw/zinc/31/77/26/949317726.db2.gz QWAHTWWJTKLNMU-UHFFFAOYSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575524416 949318586 /nfs/dbraw/zinc/31/85/86/949318586.db2.gz IIXKVEVMJQTZSX-JTQLQIEISA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575524416 949318607 /nfs/dbraw/zinc/31/86/07/949318607.db2.gz IIXKVEVMJQTZSX-JTQLQIEISA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576154133 949319240 /nfs/dbraw/zinc/31/92/40/949319240.db2.gz NSCQJJZMVYBWPB-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576154133 949319258 /nfs/dbraw/zinc/31/92/58/949319258.db2.gz NSCQJJZMVYBWPB-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575524483 949320045 /nfs/dbraw/zinc/32/00/45/949320045.db2.gz SZYBAQXBJSUESK-MNOVXSKESA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575524483 949320059 /nfs/dbraw/zinc/32/00/59/949320059.db2.gz SZYBAQXBJSUESK-MNOVXSKESA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](CNC(=O)Cc1cccc(F)c1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574941842 949321246 /nfs/dbraw/zinc/32/12/46/949321246.db2.gz UDFCPOJFVXVVNO-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)Cc1cccc(F)c1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574941842 949321271 /nfs/dbraw/zinc/32/12/71/949321271.db2.gz UDFCPOJFVXVVNO-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574457347 949326285 /nfs/dbraw/zinc/32/62/85/949326285.db2.gz IIIBWQXSHWJFLA-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574457347 949326309 /nfs/dbraw/zinc/32/63/09/949326309.db2.gz IIIBWQXSHWJFLA-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)(C)C(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573795446 949326082 /nfs/dbraw/zinc/32/60/82/949326082.db2.gz NFMQPCOFCVCTIZ-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573795446 949326103 /nfs/dbraw/zinc/32/61/03/949326103.db2.gz NFMQPCOFCVCTIZ-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001575524887 949326422 /nfs/dbraw/zinc/32/64/22/949326422.db2.gz KMCAQKVZDMSXKY-UHFFFAOYSA-N -1 3 375.433 0.326 20 0 GCADHM CC1(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001575524887 949326442 /nfs/dbraw/zinc/32/64/42/949326442.db2.gz KMCAQKVZDMSXKY-UHFFFAOYSA-N -1 3 375.433 0.326 20 0 GCADHM CC1(C(=O)N(CCO)CCNc2ncccc2-c2nnn[n-]2)CCOCC1 ZINC001575524916 949326684 /nfs/dbraw/zinc/32/66/84/949326684.db2.gz LCEXMQVJOVDQAV-UHFFFAOYSA-N -1 3 375.433 0.311 20 0 GCADHM CC1(C(=O)N(CCO)CCNc2ncccc2-c2nn[n-]n2)CCOCC1 ZINC001575524916 949326711 /nfs/dbraw/zinc/32/67/11/949326711.db2.gz LCEXMQVJOVDQAV-UHFFFAOYSA-N -1 3 375.433 0.311 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)n1 ZINC001574457617 949330562 /nfs/dbraw/zinc/33/05/62/949330562.db2.gz LODHNDQBWLYSAE-ZIAGYGMSSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)n1 ZINC001574457617 949330586 /nfs/dbraw/zinc/33/05/86/949330586.db2.gz LODHNDQBWLYSAE-ZIAGYGMSSA-N -1 3 383.416 0.019 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575861581 949331512 /nfs/dbraw/zinc/33/15/12/949331512.db2.gz UICKURDZBPYSOS-CYBMUJFWSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575861581 949331528 /nfs/dbraw/zinc/33/15/28/949331528.db2.gz UICKURDZBPYSOS-CYBMUJFWSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CC[C@](C)(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575861625 949331849 /nfs/dbraw/zinc/33/18/49/949331849.db2.gz UOFNWFASLMBOMU-SFHVURJKSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CC[C@](C)(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575861625 949331869 /nfs/dbraw/zinc/33/18/69/949331869.db2.gz UOFNWFASLMBOMU-SFHVURJKSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)CCCO1 ZINC001575862105 949336546 /nfs/dbraw/zinc/33/65/46/949336546.db2.gz XHOYKRKGSDCPHW-IINYFYTJSA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)CCCO1 ZINC001575862105 949336570 /nfs/dbraw/zinc/33/65/70/949336570.db2.gz XHOYKRKGSDCPHW-IINYFYTJSA-N -1 3 385.428 0.998 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)n1 ZINC001574458152 949337117 /nfs/dbraw/zinc/33/71/17/949337117.db2.gz PRZCOSVOALFQIZ-NSHDSACASA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)n1 ZINC001574458152 949337132 /nfs/dbraw/zinc/33/71/32/949337132.db2.gz PRZCOSVOALFQIZ-NSHDSACASA-N -1 3 389.395 0.381 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574942194 949340304 /nfs/dbraw/zinc/34/03/04/949340304.db2.gz XWIYVLDSPGVXLJ-NSHDSACASA-N -1 3 392.423 0.916 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574942194 949340330 /nfs/dbraw/zinc/34/03/30/949340330.db2.gz XWIYVLDSPGVXLJ-NSHDSACASA-N -1 3 392.423 0.916 20 0 GCADHM C[C@@](CNC(=O)Cc1c[nH]cn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574942261 949342398 /nfs/dbraw/zinc/34/23/98/949342398.db2.gz MNZOLWLLWYJXGL-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574458303 949343879 /nfs/dbraw/zinc/34/38/79/949343879.db2.gz SKLNKYLUHQBLSK-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574458303 949343900 /nfs/dbraw/zinc/34/39/00/949343900.db2.gz SKLNKYLUHQBLSK-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](c1ncccn1)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575525535 949351031 /nfs/dbraw/zinc/35/10/31/949351031.db2.gz XEEOVKSOFRURKB-NWDGAFQWSA-N -1 3 385.432 0.111 20 0 GCADHM C[C@@H](c1ncccn1)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575525535 949351054 /nfs/dbraw/zinc/35/10/54/949351054.db2.gz XEEOVKSOFRURKB-NWDGAFQWSA-N -1 3 385.432 0.111 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574459330 949351932 /nfs/dbraw/zinc/35/19/32/949351932.db2.gz ATOKVZVLEMCJBV-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574459330 949351956 /nfs/dbraw/zinc/35/19/56/949351956.db2.gz ATOKVZVLEMCJBV-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573798509 949352071 /nfs/dbraw/zinc/35/20/71/949352071.db2.gz CQBFGHBXWDCFRN-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573798509 949352083 /nfs/dbraw/zinc/35/20/83/949352083.db2.gz CQBFGHBXWDCFRN-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@](CNC(=O)Cc1ccon1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574942412 949352811 /nfs/dbraw/zinc/35/28/11/949352811.db2.gz NUCDSCIUIWKLLS-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)Cc1ccon1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574942412 949352836 /nfs/dbraw/zinc/35/28/36/949352836.db2.gz NUCDSCIUIWKLLS-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573798756 949353069 /nfs/dbraw/zinc/35/30/69/949353069.db2.gz DWYHBRNYZBKIPC-NSHDSACASA-N -1 3 391.501 0.781 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575525940 949358190 /nfs/dbraw/zinc/35/81/90/949358190.db2.gz ZQEULASKVCBPLD-COPLHBTASA-N -1 3 382.432 0.231 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575525940 949358216 /nfs/dbraw/zinc/35/82/16/949358216.db2.gz ZQEULASKVCBPLD-COPLHBTASA-N -1 3 382.432 0.231 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)n1 ZINC001574459437 949358833 /nfs/dbraw/zinc/35/88/33/949358833.db2.gz GHLQWRJOPIHFHY-ZDUSSCGKSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)n1 ZINC001574459437 949358849 /nfs/dbraw/zinc/35/88/49/949358849.db2.gz GHLQWRJOPIHFHY-ZDUSSCGKSA-N -1 3 385.432 0.171 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260976 949368640 /nfs/dbraw/zinc/36/86/40/949368640.db2.gz ZAGGRTJCPWMGFR-GHMZBOCLSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260976 949368656 /nfs/dbraw/zinc/36/86/56/949368656.db2.gz ZAGGRTJCPWMGFR-GHMZBOCLSA-N -1 3 387.400 0.050 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573799513 949372088 /nfs/dbraw/zinc/37/20/88/949372088.db2.gz NBHYWNLXOBDIKY-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573799513 949372108 /nfs/dbraw/zinc/37/21/08/949372108.db2.gz NBHYWNLXOBDIKY-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575865629 949378133 /nfs/dbraw/zinc/37/81/33/949378133.db2.gz AYEORBZTMSCWIW-WCBMZHEXSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575865629 949378154 /nfs/dbraw/zinc/37/81/54/949378154.db2.gz AYEORBZTMSCWIW-WCBMZHEXSA-N -1 3 379.371 0.959 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573799933 949379699 /nfs/dbraw/zinc/37/96/99/949379699.db2.gz RBNANKRTDJVFKI-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573799933 949379720 /nfs/dbraw/zinc/37/97/20/949379720.db2.gz RBNANKRTDJVFKI-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCOC1)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575262789 949384628 /nfs/dbraw/zinc/38/46/28/949384628.db2.gz CDFDDPKQHCSJEO-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCOC1)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575262789 949384648 /nfs/dbraw/zinc/38/46/48/949384648.db2.gz CDFDDPKQHCSJEO-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573800221 949386491 /nfs/dbraw/zinc/38/64/91/949386491.db2.gz UJOXGUJAEAWDKK-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573800221 949386511 /nfs/dbraw/zinc/38/65/11/949386511.db2.gz UJOXGUJAEAWDKK-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576155199 949390803 /nfs/dbraw/zinc/39/08/03/949390803.db2.gz TWCNBZRSWHVDFX-DIFFPNOSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576155199 949390828 /nfs/dbraw/zinc/39/08/28/949390828.db2.gz TWCNBZRSWHVDFX-DIFFPNOSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575263357 949391859 /nfs/dbraw/zinc/39/18/59/949391859.db2.gz GIBNEGKNQWOWSW-MGNBDDOMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575263357 949391879 /nfs/dbraw/zinc/39/18/79/949391879.db2.gz GIBNEGKNQWOWSW-MGNBDDOMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575528216 949395471 /nfs/dbraw/zinc/39/54/71/949395471.db2.gz PCERRGNVPOCAJT-FEIHFNIMSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575528216 949395498 /nfs/dbraw/zinc/39/54/98/949395498.db2.gz PCERRGNVPOCAJT-FEIHFNIMSA-N -1 3 385.428 0.056 20 0 GCADHM CC(C)CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001574113178 949400540 /nfs/dbraw/zinc/40/05/40/949400540.db2.gz NTIMFVVPZUMEBH-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001574113178 949400556 /nfs/dbraw/zinc/40/05/56/949400556.db2.gz NTIMFVVPZUMEBH-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574704586 949400844 /nfs/dbraw/zinc/40/08/44/949400844.db2.gz DEDJGQBOBOILMV-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574704586 949400856 /nfs/dbraw/zinc/40/08/56/949400856.db2.gz DEDJGQBOBOILMV-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001574464198 949401500 /nfs/dbraw/zinc/40/15/00/949401500.db2.gz JFCHIUPAZMGNKA-CYBMUJFWSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001574464198 949401514 /nfs/dbraw/zinc/40/15/14/949401514.db2.gz JFCHIUPAZMGNKA-CYBMUJFWSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1 ZINC001573801654 949403589 /nfs/dbraw/zinc/40/35/89/949403589.db2.gz BMKCNXANSYXSPQ-BNOWGMLFSA-N -1 3 398.471 0.650 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1 ZINC001573801654 949403599 /nfs/dbraw/zinc/40/35/99/949403599.db2.gz BMKCNXANSYXSPQ-BNOWGMLFSA-N -1 3 398.471 0.650 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575532883 949406224 /nfs/dbraw/zinc/40/62/24/949406224.db2.gz CDVUCOBBOFSHQC-KPZWWZAWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575532883 949406237 /nfs/dbraw/zinc/40/62/37/949406237.db2.gz CDVUCOBBOFSHQC-KPZWWZAWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575263732 949408184 /nfs/dbraw/zinc/40/81/84/949408184.db2.gz JBMNYCHAWURSHS-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575263732 949408194 /nfs/dbraw/zinc/40/81/94/949408194.db2.gz JBMNYCHAWURSHS-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574945100 949409920 /nfs/dbraw/zinc/40/99/20/949409920.db2.gz KPSDIRQKQSZHGX-SNVBAGLBSA-N -1 3 382.432 0.418 20 0 GCADHM C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575263897 949410911 /nfs/dbraw/zinc/41/09/11/949410911.db2.gz LEAYDHUAMICHLJ-XTZNXHDOSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575263897 949410925 /nfs/dbraw/zinc/41/09/25/949410925.db2.gz LEAYDHUAMICHLJ-XTZNXHDOSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCCN(c1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573802128 949412793 /nfs/dbraw/zinc/41/27/93/949412793.db2.gz DDWWNBSZIFIXLZ-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCCN(c1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573802128 949412802 /nfs/dbraw/zinc/41/28/02/949412802.db2.gz DDWWNBSZIFIXLZ-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CC=CC1 ZINC001575533564 949415305 /nfs/dbraw/zinc/41/53/05/949415305.db2.gz HOGSACWQXRFZTN-JSGCOSHPSA-N -1 3 385.428 0.243 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC=CC1 ZINC001575533564 949415324 /nfs/dbraw/zinc/41/53/24/949415324.db2.gz HOGSACWQXRFZTN-JSGCOSHPSA-N -1 3 385.428 0.243 20 0 GCADHM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574945747 949415403 /nfs/dbraw/zinc/41/54/03/949415403.db2.gz NJYOYLFWYCDKQG-JTQLQIEISA-N -1 3 385.436 0.163 20 0 GCADHM C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574945747 949415420 /nfs/dbraw/zinc/41/54/20/949415420.db2.gz NJYOYLFWYCDKQG-JTQLQIEISA-N -1 3 385.436 0.163 20 0 GCADHM CC1(C(=O)N2CC[C@H](N3CCN(c4ccnc(-c5nn[n-]n5)n4)CC3)C2)CC1 ZINC001575533223 949415481 /nfs/dbraw/zinc/41/54/81/949415481.db2.gz FJLRCQLGYKTAQW-ZDUSSCGKSA-N -1 3 383.460 0.180 20 0 GCADHM C[C@@H](CNC(=O)Cc1ncccc1F)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574945809 949420240 /nfs/dbraw/zinc/42/02/40/949420240.db2.gz OPJKNZNZBNPBCL-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CNC(=O)Cc1ncccc1F)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574945809 949420256 /nfs/dbraw/zinc/42/02/56/949420256.db2.gz OPJKNZNZBNPBCL-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574705269 949422505 /nfs/dbraw/zinc/42/25/05/949422505.db2.gz GYCFWUBGNXVMGG-GWCFXTLKSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574705269 949422517 /nfs/dbraw/zinc/42/25/17/949422517.db2.gz GYCFWUBGNXVMGG-GWCFXTLKSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574705483 949424584 /nfs/dbraw/zinc/42/45/84/949424584.db2.gz UATORWQPWQPYMR-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574705483 949424597 /nfs/dbraw/zinc/42/45/97/949424597.db2.gz UATORWQPWQPYMR-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574705487 949424783 /nfs/dbraw/zinc/42/47/83/949424783.db2.gz UATORWQPWQPYMR-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CC12CCOCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574705487 949424802 /nfs/dbraw/zinc/42/48/02/949424802.db2.gz UATORWQPWQPYMR-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573802819 949426294 /nfs/dbraw/zinc/42/62/94/949426294.db2.gz IOXLLCFAUBSYCZ-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573802819 949426304 /nfs/dbraw/zinc/42/63/04/949426304.db2.gz IOXLLCFAUBSYCZ-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575534288 949426675 /nfs/dbraw/zinc/42/66/75/949426675.db2.gz MJPQGARZCHZAPK-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575534288 949426692 /nfs/dbraw/zinc/42/66/92/949426692.db2.gz MJPQGARZCHZAPK-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001575866974 949428802 /nfs/dbraw/zinc/42/88/02/949428802.db2.gz WFBYKLRTCNUPJD-VIFPVBQESA-N -1 3 375.414 0.579 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001575866974 949428815 /nfs/dbraw/zinc/42/88/15/949428815.db2.gz WFBYKLRTCNUPJD-VIFPVBQESA-N -1 3 375.414 0.579 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575534290 949429582 /nfs/dbraw/zinc/42/95/82/949429582.db2.gz MJPQGARZCHZAPK-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575534290 949429593 /nfs/dbraw/zinc/42/95/93/949429593.db2.gz MJPQGARZCHZAPK-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)N2CC[C@@H](N3CCN(c4ccc(-c5nnn[n-]5)nn4)CC3)C2)CC1 ZINC001575534582 949432239 /nfs/dbraw/zinc/43/22/39/949432239.db2.gz OJSVSSRXOYVKLP-CYBMUJFWSA-N -1 3 383.460 0.180 20 0 GCADHM CC1(C(=O)N2CC[C@@H](N3CCN(c4ccc(-c5nn[n-]n5)nn4)CC3)C2)CC1 ZINC001575534582 949432249 /nfs/dbraw/zinc/43/22/49/949432249.db2.gz OJSVSSRXOYVKLP-CYBMUJFWSA-N -1 3 383.460 0.180 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CCNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575535213 949441986 /nfs/dbraw/zinc/44/19/86/949441986.db2.gz UCFQIGMFGRCYQD-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CCNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575535213 949442004 /nfs/dbraw/zinc/44/20/04/949442004.db2.gz UCFQIGMFGRCYQD-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575265288 949445912 /nfs/dbraw/zinc/44/59/12/949445912.db2.gz TWUGMOSSRPQXOB-MNOVXSKESA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575265288 949445924 /nfs/dbraw/zinc/44/59/24/949445924.db2.gz TWUGMOSSRPQXOB-MNOVXSKESA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574947812 949453909 /nfs/dbraw/zinc/45/39/09/949453909.db2.gz DLGAOLVCSTUCKJ-LLVKDONJSA-N -1 3 382.432 0.595 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574947812 949453929 /nfs/dbraw/zinc/45/39/29/949453929.db2.gz DLGAOLVCSTUCKJ-LLVKDONJSA-N -1 3 382.432 0.595 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573803926 949455784 /nfs/dbraw/zinc/45/57/84/949455784.db2.gz XRLWONJBTAMOHO-UHFFFAOYSA-N -1 3 377.474 0.948 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573803926 949455796 /nfs/dbraw/zinc/45/57/96/949455796.db2.gz XRLWONJBTAMOHO-UHFFFAOYSA-N -1 3 377.474 0.948 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574948401 949463311 /nfs/dbraw/zinc/46/33/11/949463311.db2.gz INQHHMWARSLLIH-SNVBAGLBSA-N -1 3 375.824 0.753 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574948401 949463329 /nfs/dbraw/zinc/46/33/29/949463329.db2.gz INQHHMWARSLLIH-SNVBAGLBSA-N -1 3 375.824 0.753 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574468531 949464167 /nfs/dbraw/zinc/46/41/67/949464167.db2.gz NYUYBHLSQSVCPG-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574468531 949464186 /nfs/dbraw/zinc/46/41/86/949464186.db2.gz NYUYBHLSQSVCPG-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574948673 949466935 /nfs/dbraw/zinc/46/69/35/949466935.db2.gz LVUDCLUFMNFPJN-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574948673 949466952 /nfs/dbraw/zinc/46/69/52/949466952.db2.gz LVUDCLUFMNFPJN-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574707300 949467034 /nfs/dbraw/zinc/46/70/34/949467034.db2.gz ONYNDCUHLZYLAD-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574707300 949467043 /nfs/dbraw/zinc/46/70/43/949467043.db2.gz ONYNDCUHLZYLAD-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574468790 949467023 /nfs/dbraw/zinc/46/70/23/949467023.db2.gz QVFDRLVQKVIYNG-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574468790 949467038 /nfs/dbraw/zinc/46/70/38/949467038.db2.gz QVFDRLVQKVIYNG-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573804611 949470877 /nfs/dbraw/zinc/47/08/77/949470877.db2.gz YBEYWFYBGXIPHD-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573804611 949470902 /nfs/dbraw/zinc/47/09/02/949470902.db2.gz YBEYWFYBGXIPHD-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574948688 949472142 /nfs/dbraw/zinc/47/21/42/949472142.db2.gz LXECGEZWFRHAFE-NSHDSACASA-N -1 3 382.432 0.372 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574948688 949472153 /nfs/dbraw/zinc/47/21/53/949472153.db2.gz LXECGEZWFRHAFE-NSHDSACASA-N -1 3 382.432 0.372 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574948744 949472844 /nfs/dbraw/zinc/47/28/44/949472844.db2.gz MGWOKGIOVIXMES-NSHDSACASA-N -1 3 382.432 0.372 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574948744 949472871 /nfs/dbraw/zinc/47/28/71/949472871.db2.gz MGWOKGIOVIXMES-NSHDSACASA-N -1 3 382.432 0.372 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574707814 949475409 /nfs/dbraw/zinc/47/54/09/949475409.db2.gz QPJGGOJWBPIXBH-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574707814 949475426 /nfs/dbraw/zinc/47/54/26/949475426.db2.gz QPJGGOJWBPIXBH-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574469299 949475463 /nfs/dbraw/zinc/47/54/63/949475463.db2.gz AGZNXRJVORFBLO-GFCCVEGCSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574469299 949475480 /nfs/dbraw/zinc/47/54/80/949475480.db2.gz AGZNXRJVORFBLO-GFCCVEGCSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574469321 949475772 /nfs/dbraw/zinc/47/57/72/949475772.db2.gz BPFVPNIJMTXZJW-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574469321 949475785 /nfs/dbraw/zinc/47/57/85/949475785.db2.gz BPFVPNIJMTXZJW-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CCNC(=O)C1 ZINC001575536765 949476317 /nfs/dbraw/zinc/47/63/17/949476317.db2.gz LMUVUARFZAFRJO-GTNSWQLSSA-N -1 3 388.407 0.330 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CCNC(=O)C1 ZINC001575536765 949476328 /nfs/dbraw/zinc/47/63/28/949476328.db2.gz LMUVUARFZAFRJO-GTNSWQLSSA-N -1 3 388.407 0.330 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574948968 949476553 /nfs/dbraw/zinc/47/65/53/949476553.db2.gz OQTQQQLCARYCMO-NSHDSACASA-N -1 3 382.432 0.372 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574948968 949476562 /nfs/dbraw/zinc/47/65/62/949476562.db2.gz OQTQQQLCARYCMO-NSHDSACASA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575266302 949477387 /nfs/dbraw/zinc/47/73/87/949477387.db2.gz YHRCQBQSXYCBNQ-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575266302 949477405 /nfs/dbraw/zinc/47/74/05/949477405.db2.gz YHRCQBQSXYCBNQ-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574469770 949480966 /nfs/dbraw/zinc/48/09/66/949480966.db2.gz GRXRYKCHMBXHTN-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574469770 949480976 /nfs/dbraw/zinc/48/09/76/949480976.db2.gz GRXRYKCHMBXHTN-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ncnc1CN(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574469479 949481305 /nfs/dbraw/zinc/48/13/05/949481305.db2.gz FDQIBTKSLJUPIA-UHFFFAOYSA-N -1 3 386.464 0.961 20 0 GCADHM CC(C)n1ncnc1CN(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574469479 949481319 /nfs/dbraw/zinc/48/13/19/949481319.db2.gz FDQIBTKSLJUPIA-UHFFFAOYSA-N -1 3 386.464 0.961 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001574117926 949482452 /nfs/dbraw/zinc/48/24/52/949482452.db2.gz BKFOFADQGYWJGP-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001574117926 949482471 /nfs/dbraw/zinc/48/24/71/949482471.db2.gz BKFOFADQGYWJGP-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574117941 949483069 /nfs/dbraw/zinc/48/30/69/949483069.db2.gz BPHWGJFMZFHOET-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574117941 949483077 /nfs/dbraw/zinc/48/30/77/949483077.db2.gz BPHWGJFMZFHOET-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC1(C(=O)N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOCC1 ZINC001575536972 949483700 /nfs/dbraw/zinc/48/37/00/949483700.db2.gz PLYADMJFBPBEIY-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOCC1 ZINC001575536972 949483712 /nfs/dbraw/zinc/48/37/12/949483712.db2.gz PLYADMJFBPBEIY-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575266876 949490572 /nfs/dbraw/zinc/49/05/72/949490572.db2.gz FOPVKKFBAUGMCC-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575266876 949490589 /nfs/dbraw/zinc/49/05/89/949490589.db2.gz FOPVKKFBAUGMCC-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575266829 949491396 /nfs/dbraw/zinc/49/13/96/949491396.db2.gz FGZBLNPRJNRTGR-UWVGGRQHSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575266829 949491407 /nfs/dbraw/zinc/49/14/07/949491407.db2.gz FGZBLNPRJNRTGR-UWVGGRQHSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575537719 949498158 /nfs/dbraw/zinc/49/81/58/949498158.db2.gz AOERCZMZRKIKMX-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575537719 949498174 /nfs/dbraw/zinc/49/81/74/949498174.db2.gz AOERCZMZRKIKMX-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CNC(=O)Cn1cncn1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949554 949498609 /nfs/dbraw/zinc/49/86/09/949498609.db2.gz XRAYEOFSRYRYQT-VIFPVBQESA-N -1 3 376.812 0.371 20 0 GCADHM C[C@@H](CNC(=O)Cn1cncn1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949554 949498626 /nfs/dbraw/zinc/49/86/26/949498626.db2.gz XRAYEOFSRYRYQT-VIFPVBQESA-N -1 3 376.812 0.371 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncccn1 ZINC001573807925 949499761 /nfs/dbraw/zinc/49/97/61/949499761.db2.gz ACTRMZRJQNYPBP-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncccn1 ZINC001573807925 949499779 /nfs/dbraw/zinc/49/97/79/949499779.db2.gz ACTRMZRJQNYPBP-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CNC(=O)Cn1cncn1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949553 949500111 /nfs/dbraw/zinc/50/01/11/949500111.db2.gz XRAYEOFSRYRYQT-SECBINFHSA-N -1 3 376.812 0.371 20 0 GCADHM C[C@H](CNC(=O)Cn1cncn1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949553 949500117 /nfs/dbraw/zinc/50/01/17/949500117.db2.gz XRAYEOFSRYRYQT-SECBINFHSA-N -1 3 376.812 0.371 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCCS1(=O)=O ZINC001575537776 949501921 /nfs/dbraw/zinc/50/19/21/949501921.db2.gz XRTMIJLRLALRFH-MLGOLLRUSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCCS1(=O)=O ZINC001575537776 949501935 /nfs/dbraw/zinc/50/19/35/949501935.db2.gz XRTMIJLRLALRFH-MLGOLLRUSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3ncccc3-c3nnn[n-]3)C2)CCOC1 ZINC001575537761 949502485 /nfs/dbraw/zinc/50/24/85/949502485.db2.gz AVQIWAYGGHDLAM-QZTJIDSGSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3ncccc3-c3nn[n-]n3)C2)CCOC1 ZINC001575537761 949502497 /nfs/dbraw/zinc/50/24/97/949502497.db2.gz AVQIWAYGGHDLAM-QZTJIDSGSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@](CO)(Nc3ncccc3-c3nnn[n-]3)C2)CCOC1 ZINC001575537759 949502779 /nfs/dbraw/zinc/50/27/79/949502779.db2.gz AVQIWAYGGHDLAM-MSOLQXFVSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@](CO)(Nc3ncccc3-c3nn[n-]n3)C2)CCOC1 ZINC001575537759 949502798 /nfs/dbraw/zinc/50/27/98/949502798.db2.gz AVQIWAYGGHDLAM-MSOLQXFVSA-N -1 3 387.444 0.454 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1=CCOCC1 ZINC001573807982 949502609 /nfs/dbraw/zinc/50/26/09/949502609.db2.gz BSEMKAWQLYMNSC-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1=CCOCC1 ZINC001573807982 949502630 /nfs/dbraw/zinc/50/26/30/949502630.db2.gz BSEMKAWQLYMNSC-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cn1ccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573807947 949502692 /nfs/dbraw/zinc/50/26/92/949502692.db2.gz AUAIKMXYZVRQQY-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1 ZINC001574119788 949503145 /nfs/dbraw/zinc/50/31/45/949503145.db2.gz JGQYWIHNTHHWBU-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1 ZINC001574119788 949503162 /nfs/dbraw/zinc/50/31/62/949503162.db2.gz JGQYWIHNTHHWBU-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1=CCOCC1 ZINC001573807981 949505372 /nfs/dbraw/zinc/50/53/72/949505372.db2.gz BSEMKAWQLYMNSC-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1=CCOCC1 ZINC001573807981 949505388 /nfs/dbraw/zinc/50/53/88/949505388.db2.gz BSEMKAWQLYMNSC-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ncccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808167 949506683 /nfs/dbraw/zinc/50/66/83/949506683.db2.gz DDKPBVVPPYYKGL-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ncccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808167 949506699 /nfs/dbraw/zinc/50/66/99/949506699.db2.gz DDKPBVVPPYYKGL-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574709434 949507171 /nfs/dbraw/zinc/50/71/71/949507171.db2.gz ZLMLBKJGLKNRBW-PWSUYJOCSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574709434 949507190 /nfs/dbraw/zinc/50/71/90/949507190.db2.gz ZLMLBKJGLKNRBW-PWSUYJOCSA-N -1 3 382.432 0.759 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574470727 949508487 /nfs/dbraw/zinc/50/84/87/949508487.db2.gz SYBAJPDTZJQIRS-LBPRGKRZSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574470727 949508508 /nfs/dbraw/zinc/50/85/08/949508508.db2.gz SYBAJPDTZJQIRS-LBPRGKRZSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574949773 949508927 /nfs/dbraw/zinc/50/89/27/949508927.db2.gz CTZPTLONIVSQMH-NHYWBVRUSA-N -1 3 389.435 0.563 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574949773 949508949 /nfs/dbraw/zinc/50/89/49/949508949.db2.gz CTZPTLONIVSQMH-NHYWBVRUSA-N -1 3 389.435 0.563 20 0 GCADHM CC(C)n1ncnc1CNC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574470530 949509395 /nfs/dbraw/zinc/50/93/95/949509395.db2.gz DLZFPXKCIDOBRF-CQSZACIVSA-N -1 3 384.448 0.665 20 0 GCADHM CC(C)n1ncnc1CNC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574470530 949509411 /nfs/dbraw/zinc/50/94/11/949509411.db2.gz DLZFPXKCIDOBRF-CQSZACIVSA-N -1 3 384.448 0.665 20 0 GCADHM CC(C)CC(=O)NC[C@H]1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)O1 ZINC001574120878 949510877 /nfs/dbraw/zinc/51/08/77/949510877.db2.gz OBNOECAMXCMECI-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(=O)NC[C@H]1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)O1 ZINC001574120878 949510889 /nfs/dbraw/zinc/51/08/89/949510889.db2.gz OBNOECAMXCMECI-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM CC1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(F)(F)C1 ZINC001575538018 949511353 /nfs/dbraw/zinc/51/13/53/949511353.db2.gz ZRWNJZLZMZXYGH-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(F)(F)C1 ZINC001575538018 949511371 /nfs/dbraw/zinc/51/13/71/949511371.db2.gz ZRWNJZLZMZXYGH-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM C[C@]1(C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)CCOC1 ZINC001575538129 949511631 /nfs/dbraw/zinc/51/16/31/949511631.db2.gz CPBDSPQEJHBITL-KRWDZBQOSA-N -1 3 385.428 0.296 20 0 GCADHM C[C@]1(C(=O)N2CCC3(CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)CCOC1 ZINC001575538129 949511641 /nfs/dbraw/zinc/51/16/41/949511641.db2.gz CPBDSPQEJHBITL-KRWDZBQOSA-N -1 3 385.428 0.296 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnns1 ZINC001573808397 949511722 /nfs/dbraw/zinc/51/17/22/949511722.db2.gz FVNYBBPREPDQPO-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnns1 ZINC001573808397 949511739 /nfs/dbraw/zinc/51/17/39/949511739.db2.gz FVNYBBPREPDQPO-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCOC1 ZINC001573808404 949512570 /nfs/dbraw/zinc/51/25/70/949512570.db2.gz FXSHHZCPUGQWNF-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCOC1 ZINC001573808404 949512583 /nfs/dbraw/zinc/51/25/83/949512583.db2.gz FXSHHZCPUGQWNF-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575267982 949512989 /nfs/dbraw/zinc/51/29/89/949512989.db2.gz KXPDEIQJQMPRTB-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575267982 949513012 /nfs/dbraw/zinc/51/30/12/949513012.db2.gz KXPDEIQJQMPRTB-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808482 949516307 /nfs/dbraw/zinc/51/63/07/949516307.db2.gz GLNMRYXBORVXOZ-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808482 949516326 /nfs/dbraw/zinc/51/63/26/949516326.db2.gz GLNMRYXBORVXOZ-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574710906 949517112 /nfs/dbraw/zinc/51/71/12/949517112.db2.gz BTWLHBPSWAGGKZ-ZJUUUORDSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574710906 949517126 /nfs/dbraw/zinc/51/71/26/949517126.db2.gz BTWLHBPSWAGGKZ-ZJUUUORDSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574710895 949517800 /nfs/dbraw/zinc/51/78/00/949517800.db2.gz BTWLHBPSWAGGKZ-NXEZZACHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574710895 949517820 /nfs/dbraw/zinc/51/78/20/949517820.db2.gz BTWLHBPSWAGGKZ-NXEZZACHSA-N -1 3 376.396 0.186 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001574122055 949521939 /nfs/dbraw/zinc/52/19/39/949521939.db2.gz UHCSSKIAECPHSM-UHFFFAOYSA-N -1 3 392.439 0.824 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001574122055 949521961 /nfs/dbraw/zinc/52/19/61/949521961.db2.gz UHCSSKIAECPHSM-UHFFFAOYSA-N -1 3 392.439 0.824 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccon1 ZINC001573808673 949522851 /nfs/dbraw/zinc/52/28/51/949522851.db2.gz IAKSGKYKAUFWOY-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccon1 ZINC001573808673 949522864 /nfs/dbraw/zinc/52/28/64/949522864.db2.gz IAKSGKYKAUFWOY-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2=CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575871960 949522952 /nfs/dbraw/zinc/52/29/52/949522952.db2.gz DDADETUBTILVRX-RISCZKNCSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2=CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575871960 949522968 /nfs/dbraw/zinc/52/29/68/949522968.db2.gz DDADETUBTILVRX-RISCZKNCSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575538454 949523112 /nfs/dbraw/zinc/52/31/12/949523112.db2.gz HDFQLNHTSRATBD-ACJLOTCBSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575538454 949523121 /nfs/dbraw/zinc/52/31/21/949523121.db2.gz HDFQLNHTSRATBD-ACJLOTCBSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2=CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575871961 949524684 /nfs/dbraw/zinc/52/46/84/949524684.db2.gz DDADETUBTILVRX-SMDDNHRTSA-N -1 3 385.428 0.651 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808733 949524754 /nfs/dbraw/zinc/52/47/54/949524754.db2.gz JDNGXBKJDLTKJK-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2=CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575871961 949524704 /nfs/dbraw/zinc/52/47/04/949524704.db2.gz DDADETUBTILVRX-SMDDNHRTSA-N -1 3 385.428 0.651 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808733 949524774 /nfs/dbraw/zinc/52/47/74/949524774.db2.gz JDNGXBKJDLTKJK-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574122427 949525222 /nfs/dbraw/zinc/52/52/22/949525222.db2.gz WDKXAPQXMYPISL-UHFFFAOYSA-N -1 3 391.501 0.781 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575871866 949526036 /nfs/dbraw/zinc/52/60/36/949526036.db2.gz CRPWPUWITIGCMF-YPMHNXCESA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575871866 949526055 /nfs/dbraw/zinc/52/60/55/949526055.db2.gz CRPWPUWITIGCMF-YPMHNXCESA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575538658 949527936 /nfs/dbraw/zinc/52/79/36/949527936.db2.gz IHIGALUGQZVHIK-KPZWWZAWSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575538658 949527950 /nfs/dbraw/zinc/52/79/50/949527950.db2.gz IHIGALUGQZVHIK-KPZWWZAWSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574122443 949527915 /nfs/dbraw/zinc/52/79/15/949527915.db2.gz WNDBFSHGDOPQFF-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574122443 949527930 /nfs/dbraw/zinc/52/79/30/949527930.db2.gz WNDBFSHGDOPQFF-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574950124 949530243 /nfs/dbraw/zinc/53/02/43/949530243.db2.gz LDNUWQIKQYEYAP-YGRLFVJLSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711273 949530451 /nfs/dbraw/zinc/53/04/51/949530451.db2.gz FSNALQWOORGVHA-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711273 949530465 /nfs/dbraw/zinc/53/04/65/949530465.db2.gz FSNALQWOORGVHA-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574471388 949531413 /nfs/dbraw/zinc/53/14/13/949531413.db2.gz MQCVDQYWTBJSCL-HIFPTAJRSA-N -1 3 382.432 0.906 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574471388 949531430 /nfs/dbraw/zinc/53/14/30/949531430.db2.gz MQCVDQYWTBJSCL-HIFPTAJRSA-N -1 3 382.432 0.906 20 0 GCADHM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576163310 949532258 /nfs/dbraw/zinc/53/22/58/949532258.db2.gz AFBFKFIPVHYAFK-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576163310 949532276 /nfs/dbraw/zinc/53/22/76/949532276.db2.gz AFBFKFIPVHYAFK-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575872070 949532639 /nfs/dbraw/zinc/53/26/39/949532639.db2.gz FSTNTWBVXKWTMF-GZMMTYOYSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575872070 949532661 /nfs/dbraw/zinc/53/26/61/949532661.db2.gz FSTNTWBVXKWTMF-GZMMTYOYSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576163581 949534201 /nfs/dbraw/zinc/53/42/01/949534201.db2.gz CDFQRBQTVNCODS-JSGCOSHPSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576163581 949534215 /nfs/dbraw/zinc/53/42/15/949534215.db2.gz CDFQRBQTVNCODS-JSGCOSHPSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1n[nH]cc1F ZINC001573809348 949536275 /nfs/dbraw/zinc/53/62/75/949536275.db2.gz OIAPWXHWNYCXMO-LLVKDONJSA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1n[nH]cc1F ZINC001573809348 949536287 /nfs/dbraw/zinc/53/62/87/949536287.db2.gz OIAPWXHWNYCXMO-LLVKDONJSA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001573809422 949540397 /nfs/dbraw/zinc/54/03/97/949540397.db2.gz PNINVQZSVSPDDA-ZWNOBZJWSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001573809422 949540411 /nfs/dbraw/zinc/54/04/11/949540411.db2.gz PNINVQZSVSPDDA-ZWNOBZJWSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574711482 949540527 /nfs/dbraw/zinc/54/05/27/949540527.db2.gz HRZIAYAGTOXCRP-NXEZZACHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574711482 949540545 /nfs/dbraw/zinc/54/05/45/949540545.db2.gz HRZIAYAGTOXCRP-NXEZZACHSA-N -1 3 392.851 0.700 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1c[nH]cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809481 949541135 /nfs/dbraw/zinc/54/11/35/949541135.db2.gz QLPIQOWJPJFCRI-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cccnn1 ZINC001573809468 949542307 /nfs/dbraw/zinc/54/23/07/949542307.db2.gz QCNZACQJUPABMY-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cccnn1 ZINC001573809468 949542313 /nfs/dbraw/zinc/54/23/13/949542313.db2.gz QCNZACQJUPABMY-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001573809559 949546837 /nfs/dbraw/zinc/54/68/37/949546837.db2.gz SEIATMNJSVOILF-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001573809559 949546852 /nfs/dbraw/zinc/54/68/52/949546852.db2.gz SEIATMNJSVOILF-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nc1)NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001576164194 949547044 /nfs/dbraw/zinc/54/70/44/949547044.db2.gz DYIRDQMZGCPVSD-STQMWFEESA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nc1)NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001576164194 949547065 /nfs/dbraw/zinc/54/70/65/949547065.db2.gz DYIRDQMZGCPVSD-STQMWFEESA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872570 949551940 /nfs/dbraw/zinc/55/19/40/949551940.db2.gz JVQLANSTNKNHGU-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872570 949551951 /nfs/dbraw/zinc/55/19/51/949551951.db2.gz JVQLANSTNKNHGU-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1)N1CCN(C)CC1 ZINC001574951053 949553130 /nfs/dbraw/zinc/55/31/30/949553130.db2.gz XHGBVXPBZAFYTK-QMMMGPOBSA-N -1 3 385.885 0.734 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576164533 949554530 /nfs/dbraw/zinc/55/45/30/949554530.db2.gz GYQFNGPJFKFRRV-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576164533 949554540 /nfs/dbraw/zinc/55/45/40/949554540.db2.gz GYQFNGPJFKFRRV-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574472370 949554418 /nfs/dbraw/zinc/55/44/18/949554418.db2.gz TYGYYHGJKUAFGY-STQMWFEESA-N -1 3 382.432 0.466 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574472370 949554431 /nfs/dbraw/zinc/55/44/31/949554431.db2.gz TYGYYHGJKUAFGY-STQMWFEESA-N -1 3 382.432 0.466 20 0 GCADHM C[C@H](NC(=O)C[C@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575269629 949557090 /nfs/dbraw/zinc/55/70/90/949557090.db2.gz VZXFWHNBGDEXRH-CMPLNLGQSA-N -1 3 389.485 0.533 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809985 949560132 /nfs/dbraw/zinc/56/01/32/949560132.db2.gz XEOMRQKMMXHCFA-GWCFXTLKSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809985 949560144 /nfs/dbraw/zinc/56/01/44/949560144.db2.gz XEOMRQKMMXHCFA-GWCFXTLKSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573810032 949563092 /nfs/dbraw/zinc/56/30/92/949563092.db2.gz YAXXHSGVUQWBQW-GWCFXTLKSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573810032 949563107 /nfs/dbraw/zinc/56/31/07/949563107.db2.gz YAXXHSGVUQWBQW-GWCFXTLKSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574473223 949563980 /nfs/dbraw/zinc/56/39/80/949563980.db2.gz YRYJLEXYYBTOMG-STQMWFEESA-N -1 3 382.432 0.466 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574473223 949563993 /nfs/dbraw/zinc/56/39/93/949563993.db2.gz YRYJLEXYYBTOMG-STQMWFEESA-N -1 3 382.432 0.466 20 0 GCADHM C[C@H](NC(=O)CC1(C)CC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575269688 949564299 /nfs/dbraw/zinc/56/42/99/949564299.db2.gz WKKVSIZQAZCXOY-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC1(C)CC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575269688 949564309 /nfs/dbraw/zinc/56/43/09/949564309.db2.gz WKKVSIZQAZCXOY-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574711972 949565069 /nfs/dbraw/zinc/56/50/69/949565069.db2.gz OUYCIWUTVBXKBU-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574711972 949565080 /nfs/dbraw/zinc/56/50/80/949565080.db2.gz OUYCIWUTVBXKBU-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1c[nH]cn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810104 949565182 /nfs/dbraw/zinc/56/51/82/949565182.db2.gz ZDJZFRAISJAFCY-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1csnn1 ZINC001573810144 949565349 /nfs/dbraw/zinc/56/53/49/949565349.db2.gz ZVLZINCWQJGHLM-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1csnn1 ZINC001573810144 949565371 /nfs/dbraw/zinc/56/53/71/949565371.db2.gz ZVLZINCWQJGHLM-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1ccnc1 ZINC001573810077 949566593 /nfs/dbraw/zinc/56/65/93/949566593.db2.gz YPOTVXMQRUEVGD-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1ccnc1 ZINC001573810077 949566610 /nfs/dbraw/zinc/56/66/10/949566610.db2.gz YPOTVXMQRUEVGD-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1csnn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810138 949567175 /nfs/dbraw/zinc/56/71/75/949567175.db2.gz ZSNKTNGQDCZBJE-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1csnn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810138 949567187 /nfs/dbraw/zinc/56/71/87/949567187.db2.gz ZSNKTNGQDCZBJE-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575540311 949567262 /nfs/dbraw/zinc/56/72/62/949567262.db2.gz WWHAQDJKAZJHST-KPZWWZAWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575540311 949567276 /nfs/dbraw/zinc/56/72/76/949567276.db2.gz WWHAQDJKAZJHST-KPZWWZAWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC[C@@](CO)(Nc3ncc(-c4nnn[n-]4)cc3F)C2)CC1 ZINC001575540292 949567305 /nfs/dbraw/zinc/56/73/05/949567305.db2.gz WRKZBZJIGRWXOR-QGZVFWFLSA-N -1 3 375.408 0.966 20 0 GCADHM CC1(C(=O)N2CCC[C@@](CO)(Nc3ncc(-c4nn[n-]n4)cc3F)C2)CC1 ZINC001575540292 949567320 /nfs/dbraw/zinc/56/73/20/949567320.db2.gz WRKZBZJIGRWXOR-QGZVFWFLSA-N -1 3 375.408 0.966 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575270091 949572099 /nfs/dbraw/zinc/57/20/99/949572099.db2.gz AXXGVYXEHCFXDY-LLVKDONJSA-N -1 3 389.435 0.598 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574475613 949572201 /nfs/dbraw/zinc/57/22/01/949572201.db2.gz BLLNCALWAOABPZ-NSHDSACASA-N -1 3 392.439 0.343 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574475613 949572217 /nfs/dbraw/zinc/57/22/17/949572217.db2.gz BLLNCALWAOABPZ-NSHDSACASA-N -1 3 392.439 0.343 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575270077 949573417 /nfs/dbraw/zinc/57/34/17/949573417.db2.gz ASKRKQBXBZJHBS-MFKMUULPSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575270077 949573440 /nfs/dbraw/zinc/57/34/40/949573440.db2.gz ASKRKQBXBZJHBS-MFKMUULPSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574475612 949574907 /nfs/dbraw/zinc/57/49/07/949574907.db2.gz BLLNCALWAOABPZ-LLVKDONJSA-N -1 3 392.439 0.343 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574475612 949574923 /nfs/dbraw/zinc/57/49/23/949574923.db2.gz BLLNCALWAOABPZ-LLVKDONJSA-N -1 3 392.439 0.343 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574124746 949579210 /nfs/dbraw/zinc/57/92/10/949579210.db2.gz MAKPTCLSNMQXAX-MBNYWOFBSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574124746 949579225 /nfs/dbraw/zinc/57/92/25/949579225.db2.gz MAKPTCLSNMQXAX-MBNYWOFBSA-N -1 3 386.460 0.716 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574475999 949581356 /nfs/dbraw/zinc/58/13/56/949581356.db2.gz DYOXEPSJPPTVTA-PWSUYJOCSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574475999 949581374 /nfs/dbraw/zinc/58/13/74/949581374.db2.gz DYOXEPSJPPTVTA-PWSUYJOCSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574475997 949581967 /nfs/dbraw/zinc/58/19/67/949581967.db2.gz DYOXEPSJPPTVTA-CMPLNLGQSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574475997 949581986 /nfs/dbraw/zinc/58/19/86/949581986.db2.gz DYOXEPSJPPTVTA-CMPLNLGQSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576166639 949583985 /nfs/dbraw/zinc/58/39/85/949583985.db2.gz NBUWBRRATQSUHF-LBPRGKRZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576166639 949584001 /nfs/dbraw/zinc/58/40/01/949584001.db2.gz NBUWBRRATQSUHF-LBPRGKRZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576166512 949584772 /nfs/dbraw/zinc/58/47/72/949584772.db2.gz MQINVEMZIMEWDQ-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576166512 949584789 /nfs/dbraw/zinc/58/47/89/949584789.db2.gz MQINVEMZIMEWDQ-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM CC(C)C[C@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574125242 949585162 /nfs/dbraw/zinc/58/51/62/949585162.db2.gz OTYFOLKJTOBTTM-CQSZACIVSA-N -1 3 384.448 0.693 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nc2)CCNC(=O)C1 ZINC001575544811 949586484 /nfs/dbraw/zinc/58/64/84/949586484.db2.gz GGHNIWAWYKJACK-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)CCNC(=O)C1 ZINC001575544811 949586505 /nfs/dbraw/zinc/58/65/05/949586505.db2.gz GGHNIWAWYKJACK-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001574125472 949586258 /nfs/dbraw/zinc/58/62/58/949586258.db2.gz PWJYYFUCURMTPD-TZMCWYRMSA-N -1 3 386.460 0.812 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001574125472 949586286 /nfs/dbraw/zinc/58/62/86/949586286.db2.gz PWJYYFUCURMTPD-TZMCWYRMSA-N -1 3 386.460 0.812 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575873698 949586794 /nfs/dbraw/zinc/58/67/94/949586794.db2.gz BVORUZQDOCPFCZ-QWRGUYRKSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575873698 949586814 /nfs/dbraw/zinc/58/68/14/949586814.db2.gz BVORUZQDOCPFCZ-QWRGUYRKSA-N -1 3 375.433 0.729 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573811010 949587636 /nfs/dbraw/zinc/58/76/36/949587636.db2.gz GQPLSRSTUHAGHN-OLZOCXBDSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573811010 949587667 /nfs/dbraw/zinc/58/76/67/949587667.db2.gz GQPLSRSTUHAGHN-OLZOCXBDSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712744 949588135 /nfs/dbraw/zinc/58/81/35/949588135.db2.gz UCIJIAGQIQQGPD-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001574476157 949589440 /nfs/dbraw/zinc/58/94/40/949589440.db2.gz AZCICFITKNGYHJ-RISCZKNCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001574476157 949589448 /nfs/dbraw/zinc/58/94/48/949589448.db2.gz AZCICFITKNGYHJ-RISCZKNCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)NCCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001574125540 949589912 /nfs/dbraw/zinc/58/99/12/949589912.db2.gz SHGZRXXYCDIJAL-NSHDSACASA-N -1 3 378.412 0.467 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)NCCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001574125540 949589930 /nfs/dbraw/zinc/58/99/30/949589930.db2.gz SHGZRXXYCDIJAL-NSHDSACASA-N -1 3 378.412 0.467 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575873774 949590082 /nfs/dbraw/zinc/59/00/82/949590082.db2.gz QBAUKNZVUWHUSC-JSGCOSHPSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575873774 949590095 /nfs/dbraw/zinc/59/00/95/949590095.db2.gz QBAUKNZVUWHUSC-JSGCOSHPSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574712879 949590246 /nfs/dbraw/zinc/59/02/46/949590246.db2.gz UVEXYJRIQFTHIY-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574712879 949590261 /nfs/dbraw/zinc/59/02/61/949590261.db2.gz UVEXYJRIQFTHIY-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712913 949590810 /nfs/dbraw/zinc/59/08/10/949590810.db2.gz VEXKIKVHSGATLT-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574956830 949591839 /nfs/dbraw/zinc/59/18/39/949591839.db2.gz NXQVSGKSAGBWDM-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574956830 949591850 /nfs/dbraw/zinc/59/18/50/949591850.db2.gz NXQVSGKSAGBWDM-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574125543 949592869 /nfs/dbraw/zinc/59/28/69/949592869.db2.gz SJEHIETUYHOKJH-RUXDESIVSA-N -1 3 386.460 0.811 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574125543 949592889 /nfs/dbraw/zinc/59/28/89/949592889.db2.gz SJEHIETUYHOKJH-RUXDESIVSA-N -1 3 386.460 0.811 20 0 GCADHM C[C@H](NC(=O)CCCn1ccnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270509 949593280 /nfs/dbraw/zinc/59/32/80/949593280.db2.gz DDLNUJWYYVJKKP-RYUDHWBXSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001574476217 949594007 /nfs/dbraw/zinc/59/40/07/949594007.db2.gz BTUURSHGPLDNMI-CYBMUJFWSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001574476217 949594030 /nfs/dbraw/zinc/59/40/30/949594030.db2.gz BTUURSHGPLDNMI-CYBMUJFWSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574476356 949597399 /nfs/dbraw/zinc/59/73/99/949597399.db2.gz GWFVEQZROYDTFO-ZDUSSCGKSA-N -1 3 384.448 0.789 20 0 GCADHM C[C@@H](CC(=O)N(C)CCCN(C)c1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574476356 949597414 /nfs/dbraw/zinc/59/74/14/949597414.db2.gz GWFVEQZROYDTFO-ZDUSSCGKSA-N -1 3 384.448 0.789 20 0 GCADHM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H](C)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576167127 949598982 /nfs/dbraw/zinc/59/89/82/949598982.db2.gz OVVKFIGBBOYZNX-QWHCGFSZSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@H](C)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576167127 949598994 /nfs/dbraw/zinc/59/89/94/949598994.db2.gz OVVKFIGBBOYZNX-QWHCGFSZSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575874002 949600010 /nfs/dbraw/zinc/60/00/10/949600010.db2.gz DGMVXRHPKNTIKV-TZMCWYRMSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874002 949600025 /nfs/dbraw/zinc/60/00/25/949600025.db2.gz DGMVXRHPKNTIKV-TZMCWYRMSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@H](C)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576167126 949600747 /nfs/dbraw/zinc/60/07/47/949600747.db2.gz OVVKFIGBBOYZNX-OLZOCXBDSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](CN(C)C(=O)C(=O)N1CCC[C@@H](C)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576167126 949600764 /nfs/dbraw/zinc/60/07/64/949600764.db2.gz OVVKFIGBBOYZNX-OLZOCXBDSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576167004 949601151 /nfs/dbraw/zinc/60/11/51/949601151.db2.gz ODIIRVWBXRROHM-GFCCVEGCSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576167004 949601170 /nfs/dbraw/zinc/60/11/70/949601170.db2.gz ODIIRVWBXRROHM-GFCCVEGCSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@H](CC(=O)N(C)CCCN(C)c1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574476567 949606897 /nfs/dbraw/zinc/60/68/97/949606897.db2.gz ICEWVQXMOYRGPI-LLVKDONJSA-N -1 3 392.439 0.737 20 0 GCADHM C[C@H](CC(=O)N(C)CCCN(C)c1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574476567 949606911 /nfs/dbraw/zinc/60/69/11/949606911.db2.gz ICEWVQXMOYRGPI-LLVKDONJSA-N -1 3 392.439 0.737 20 0 GCADHM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575874271 949608037 /nfs/dbraw/zinc/60/80/37/949608037.db2.gz FNIPIPMWASZONG-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575874271 949608054 /nfs/dbraw/zinc/60/80/54/949608054.db2.gz FNIPIPMWASZONG-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CC(C)(C)CO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574713685 949610493 /nfs/dbraw/zinc/61/04/93/949610493.db2.gz BEFHBULWFIQHOC-RYUDHWBXSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CC(C)(C)CO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574713685 949610510 /nfs/dbraw/zinc/61/05/10/949610510.db2.gz BEFHBULWFIQHOC-RYUDHWBXSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CC(C)(C)CO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574713683 949611143 /nfs/dbraw/zinc/61/11/43/949611143.db2.gz BEFHBULWFIQHOC-NEPJUHHUSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CC(C)(C)CO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574713683 949611156 /nfs/dbraw/zinc/61/11/56/949611156.db2.gz BEFHBULWFIQHOC-NEPJUHHUSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575874299 949611367 /nfs/dbraw/zinc/61/13/67/949611367.db2.gz FUBPHWGWMOXNPV-BXUZGUMPSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874299 949611381 /nfs/dbraw/zinc/61/13/81/949611381.db2.gz FUBPHWGWMOXNPV-BXUZGUMPSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574476611 949611758 /nfs/dbraw/zinc/61/17/58/949611758.db2.gz FCPBEXHDJPOEGM-NHYWBVRUSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574476611 949611770 /nfs/dbraw/zinc/61/17/70/949611770.db2.gz FCPBEXHDJPOEGM-NHYWBVRUSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@]1(C(=O)N2CCCC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575546558 949612455 /nfs/dbraw/zinc/61/24/55/949612455.db2.gz RAARNDFOUQXJBI-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575546558 949612468 /nfs/dbraw/zinc/61/24/68/949612468.db2.gz RAARNDFOUQXJBI-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574957414 949613560 /nfs/dbraw/zinc/61/35/60/949613560.db2.gz XLJQOVMFZKJPLT-KWQFWETISA-N -1 3 378.824 0.453 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574957414 949613575 /nfs/dbraw/zinc/61/35/75/949613575.db2.gz XLJQOVMFZKJPLT-KWQFWETISA-N -1 3 378.824 0.453 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575271139 949616173 /nfs/dbraw/zinc/61/61/73/949616173.db2.gz IRKCFQHPVVBCGB-WDEREUQCSA-N -1 3 392.439 0.964 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575271139 949616187 /nfs/dbraw/zinc/61/61/87/949616187.db2.gz IRKCFQHPVVBCGB-WDEREUQCSA-N -1 3 392.439 0.964 20 0 GCADHM C[C@@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575546997 949617610 /nfs/dbraw/zinc/61/76/10/949617610.db2.gz VBWJCDIGGVQYED-KBXCAEBGSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@]1(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575546997 949617629 /nfs/dbraw/zinc/61/76/29/949617629.db2.gz VBWJCDIGGVQYED-KBXCAEBGSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575271547 949619450 /nfs/dbraw/zinc/61/94/50/949619450.db2.gz KPBLHAPXFMDQGJ-GHMZBOCLSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575271547 949619457 /nfs/dbraw/zinc/61/94/57/949619457.db2.gz KPBLHAPXFMDQGJ-GHMZBOCLSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575271632 949622811 /nfs/dbraw/zinc/62/28/11/949622811.db2.gz LKJQYFMMHFCOQU-GHMZBOCLSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575271632 949622830 /nfs/dbraw/zinc/62/28/30/949622830.db2.gz LKJQYFMMHFCOQU-GHMZBOCLSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](NC(=O)CCCn1cccn1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575271578 949623305 /nfs/dbraw/zinc/62/33/05/949623305.db2.gz KZLCRWFDSSOFLH-VXGBXAGGSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)CCCn1cccn1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271578 949623321 /nfs/dbraw/zinc/62/33/21/949623321.db2.gz KZLCRWFDSSOFLH-VXGBXAGGSA-N -1 3 385.432 0.495 20 0 GCADHM CC(C)(C)[C@@H](CNCc1csnn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573812695 949623216 /nfs/dbraw/zinc/62/32/16/949623216.db2.gz SWGFTKMSJDUOSM-GFCCVEGCSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874835 949623863 /nfs/dbraw/zinc/62/38/63/949623863.db2.gz HGTPJTNFDDDYPC-YPMHNXCESA-N -1 3 382.432 0.486 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874835 949623878 /nfs/dbraw/zinc/62/38/78/949623878.db2.gz HGTPJTNFDDDYPC-YPMHNXCESA-N -1 3 382.432 0.486 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001576168016 949626148 /nfs/dbraw/zinc/62/61/48/949626148.db2.gz BDUKCMYYTJYERF-CYBMUJFWSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001576168016 949626158 /nfs/dbraw/zinc/62/61/58/949626158.db2.gz BDUKCMYYTJYERF-CYBMUJFWSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575875230 949626586 /nfs/dbraw/zinc/62/65/86/949626586.db2.gz HQBKJFMRQDXQSK-ZFWWWQNUSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575875230 949626596 /nfs/dbraw/zinc/62/65/96/949626596.db2.gz HQBKJFMRQDXQSK-ZFWWWQNUSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575875224 949627729 /nfs/dbraw/zinc/62/77/29/949627729.db2.gz HQBKJFMRQDXQSK-HIFRSBDPSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575875224 949627743 /nfs/dbraw/zinc/62/77/43/949627743.db2.gz HQBKJFMRQDXQSK-HIFRSBDPSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575875242 949628025 /nfs/dbraw/zinc/62/80/25/949628025.db2.gz VQHPEAUNANPTRD-WCQYABFASA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575875242 949628035 /nfs/dbraw/zinc/62/80/35/949628035.db2.gz VQHPEAUNANPTRD-WCQYABFASA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575875227 949629164 /nfs/dbraw/zinc/62/91/64/949629164.db2.gz HQBKJFMRQDXQSK-UKRRQHHQSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575875227 949629177 /nfs/dbraw/zinc/62/91/77/949629177.db2.gz HQBKJFMRQDXQSK-UKRRQHHQSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574714446 949630005 /nfs/dbraw/zinc/63/00/05/949630005.db2.gz DEDDVVOMRDEALD-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574714446 949630019 /nfs/dbraw/zinc/63/00/19/949630019.db2.gz DEDDVVOMRDEALD-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)[C@H](CNCc1nncs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573813283 949631150 /nfs/dbraw/zinc/63/11/50/949631150.db2.gz XWZMAYFHXLYDQV-NSHDSACASA-N -1 3 375.462 0.981 20 0 GCADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575272079 949632172 /nfs/dbraw/zinc/63/21/72/949632172.db2.gz NGCOZJAKWJVCEW-VXGBXAGGSA-N -1 3 392.439 0.428 20 0 GCADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575272079 949632185 /nfs/dbraw/zinc/63/21/85/949632185.db2.gz NGCOZJAKWJVCEW-VXGBXAGGSA-N -1 3 392.439 0.428 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576168446 949634848 /nfs/dbraw/zinc/63/48/48/949634848.db2.gz UNTQMTCSDIENEP-SWLSCSKDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576168446 949634862 /nfs/dbraw/zinc/63/48/62/949634862.db2.gz UNTQMTCSDIENEP-SWLSCSKDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575875875 949637592 /nfs/dbraw/zinc/63/75/92/949637592.db2.gz WIOIOAJMELADHT-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575875875 949637604 /nfs/dbraw/zinc/63/76/04/949637604.db2.gz WIOIOAJMELADHT-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCOCC1 ZINC001575547720 949639380 /nfs/dbraw/zinc/63/93/80/949639380.db2.gz FMKQOASCKINTET-CQSZACIVSA-N -1 3 387.444 0.718 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCOCC1 ZINC001575547720 949639390 /nfs/dbraw/zinc/63/93/90/949639390.db2.gz FMKQOASCKINTET-CQSZACIVSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576168519 949639770 /nfs/dbraw/zinc/63/97/70/949639770.db2.gz UZRVGTDQKMIKAF-WFASDCNBSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576168519 949639777 /nfs/dbraw/zinc/63/97/77/949639777.db2.gz UZRVGTDQKMIKAF-WFASDCNBSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](NC(=O)CCC1CC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575272353 949640399 /nfs/dbraw/zinc/64/03/99/949640399.db2.gz POYIXJVWWQUTMB-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CCC1CC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575272353 949640416 /nfs/dbraw/zinc/64/04/16/949640416.db2.gz POYIXJVWWQUTMB-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574129778 949642898 /nfs/dbraw/zinc/64/28/98/949642898.db2.gz XTXVLBWMOXVUAB-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574129778 949642916 /nfs/dbraw/zinc/64/29/16/949642916.db2.gz XTXVLBWMOXVUAB-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876621 949644799 /nfs/dbraw/zinc/64/47/99/949644799.db2.gz JZRWMNWWGLZAKB-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876621 949644814 /nfs/dbraw/zinc/64/48/14/949644814.db2.gz JZRWMNWWGLZAKB-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)CCOC1 ZINC001575547929 949648388 /nfs/dbraw/zinc/64/83/88/949648388.db2.gz KMEGSHBQBKXTLI-OMPKRAJASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)CCOC1 ZINC001575547929 949648406 /nfs/dbraw/zinc/64/84/06/949648406.db2.gz KMEGSHBQBKXTLI-OMPKRAJASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574477229 949648780 /nfs/dbraw/zinc/64/87/80/949648780.db2.gz MJIUTOGYBGSDDR-ABAIWWIYSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574477229 949648790 /nfs/dbraw/zinc/64/87/90/949648790.db2.gz MJIUTOGYBGSDDR-ABAIWWIYSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001576168940 949652385 /nfs/dbraw/zinc/65/23/85/949652385.db2.gz DADRDMWQGFEQQK-LBPRGKRZSA-N -1 3 378.458 0.794 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001576168940 949652398 /nfs/dbraw/zinc/65/23/98/949652398.db2.gz DADRDMWQGFEQQK-LBPRGKRZSA-N -1 3 378.458 0.794 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN(C)CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576168919 949654183 /nfs/dbraw/zinc/65/41/83/949654183.db2.gz CYQJRVWVCCQMQG-CYBMUJFWSA-N -1 3 388.476 0.457 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN(C)CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576168919 949654191 /nfs/dbraw/zinc/65/41/91/949654191.db2.gz CYQJRVWVCCQMQG-CYBMUJFWSA-N -1 3 388.476 0.457 20 0 GCADHM CC(C)(C)[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573815773 949656459 /nfs/dbraw/zinc/65/64/59/949656459.db2.gz KBSAURMOJYAYDD-RYUDHWBXSA-N -1 3 390.423 0.630 20 0 GCADHM CC(C)(C)[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573815773 949656474 /nfs/dbraw/zinc/65/64/74/949656474.db2.gz KBSAURMOJYAYDD-RYUDHWBXSA-N -1 3 390.423 0.630 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574477437 949656712 /nfs/dbraw/zinc/65/67/12/949656712.db2.gz OAZQRWYGQQBVEU-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574958187 949657389 /nfs/dbraw/zinc/65/73/89/949657389.db2.gz NIVPUOOYYPZZNY-LMRQPLJMSA-N -1 3 387.444 0.254 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574958187 949657408 /nfs/dbraw/zinc/65/74/08/949657408.db2.gz NIVPUOOYYPZZNY-LMRQPLJMSA-N -1 3 387.444 0.254 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)CCOC1 ZINC001575548150 949660743 /nfs/dbraw/zinc/66/07/43/949660743.db2.gz RNZIGCJRLYDACR-YRILPIOLSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)CCOC1 ZINC001575548150 949660751 /nfs/dbraw/zinc/66/07/51/949660751.db2.gz RNZIGCJRLYDACR-YRILPIOLSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574715672 949661814 /nfs/dbraw/zinc/66/18/14/949661814.db2.gz DPODVEHKZPSLEE-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574715672 949661827 /nfs/dbraw/zinc/66/18/27/949661827.db2.gz DPODVEHKZPSLEE-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575877329 949662703 /nfs/dbraw/zinc/66/27/03/949662703.db2.gz LNZXEOWBLSFNOH-DGCLKSJQSA-N -1 3 382.432 0.486 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575877329 949662721 /nfs/dbraw/zinc/66/27/21/949662721.db2.gz LNZXEOWBLSFNOH-DGCLKSJQSA-N -1 3 382.432 0.486 20 0 GCADHM C[C@@]1(C(=O)N2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)CCCOC1 ZINC001575548236 949664232 /nfs/dbraw/zinc/66/42/32/949664232.db2.gz UWTFGEYAXCWOLR-QGZVFWFLSA-N -1 3 375.408 0.866 20 0 GCADHM C[C@@]1(C(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)CCCOC1 ZINC001575548236 949664253 /nfs/dbraw/zinc/66/42/53/949664253.db2.gz UWTFGEYAXCWOLR-QGZVFWFLSA-N -1 3 375.408 0.866 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001574477579 949664621 /nfs/dbraw/zinc/66/46/21/949664621.db2.gz PKTRVMJZKRCCEP-LLVKDONJSA-N -1 3 385.432 0.310 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001574477579 949664634 /nfs/dbraw/zinc/66/46/34/949664634.db2.gz PKTRVMJZKRCCEP-LLVKDONJSA-N -1 3 385.432 0.310 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574477623 949666742 /nfs/dbraw/zinc/66/67/42/949666742.db2.gz SPHOWJVURFCEFR-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574477623 949666754 /nfs/dbraw/zinc/66/67/54/949666754.db2.gz SPHOWJVURFCEFR-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574131649 949667025 /nfs/dbraw/zinc/66/70/25/949667025.db2.gz JCEZNPHLFOJOHX-TZMCWYRMSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574131649 949667039 /nfs/dbraw/zinc/66/70/39/949667039.db2.gz JCEZNPHLFOJOHX-TZMCWYRMSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575273631 949669357 /nfs/dbraw/zinc/66/93/57/949669357.db2.gz XPNVDWMRXATPDW-BDAKNGLRSA-N -1 3 380.840 0.876 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575273631 949669367 /nfs/dbraw/zinc/66/93/67/949669367.db2.gz XPNVDWMRXATPDW-BDAKNGLRSA-N -1 3 380.840 0.876 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574477645 949669542 /nfs/dbraw/zinc/66/95/42/949669542.db2.gz PWRMYHDVKYFGFC-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574477645 949669553 /nfs/dbraw/zinc/66/95/53/949669553.db2.gz PWRMYHDVKYFGFC-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575877798 949671838 /nfs/dbraw/zinc/67/18/38/949671838.db2.gz NJBKZGCCDXCOLR-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575877798 949671846 /nfs/dbraw/zinc/67/18/46/949671846.db2.gz NJBKZGCCDXCOLR-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575877776 949672295 /nfs/dbraw/zinc/67/22/95/949672295.db2.gz MYQJJBCNZYGAQA-AAEUAGOBSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575877776 949672311 /nfs/dbraw/zinc/67/23/11/949672311.db2.gz MYQJJBCNZYGAQA-AAEUAGOBSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H](NC(=O)CC[C@@H]1CCCO1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575273763 949673343 /nfs/dbraw/zinc/67/33/43/949673343.db2.gz XYHULXKOPNMEFK-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC[C@@H]1CCCO1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575273763 949673354 /nfs/dbraw/zinc/67/33/54/949673354.db2.gz XYHULXKOPNMEFK-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574715989 949674877 /nfs/dbraw/zinc/67/48/77/949674877.db2.gz GVOWIOWQBNHJMO-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574715989 949674892 /nfs/dbraw/zinc/67/48/92/949674892.db2.gz GVOWIOWQBNHJMO-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878216 949675596 /nfs/dbraw/zinc/67/55/96/949675596.db2.gz OBDHJXNBHHXVGM-QWRGUYRKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878216 949675612 /nfs/dbraw/zinc/67/56/12/949675612.db2.gz OBDHJXNBHHXVGM-QWRGUYRKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878168 949676742 /nfs/dbraw/zinc/67/67/42/949676742.db2.gz NOSJBOCCPKILSS-QWHCGFSZSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878168 949676753 /nfs/dbraw/zinc/67/67/53/949676753.db2.gz NOSJBOCCPKILSS-QWHCGFSZSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575274137 949678310 /nfs/dbraw/zinc/67/83/10/949678310.db2.gz ZCSOATAKYNYTGY-WDEREUQCSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575274137 949678327 /nfs/dbraw/zinc/67/83/27/949678327.db2.gz ZCSOATAKYNYTGY-WDEREUQCSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@](CNC(=O)[C@]12C[C@H]1COC2)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574958609 949680506 /nfs/dbraw/zinc/68/05/06/949680506.db2.gz UMOSDDZMWAUNOA-NBHSMZAVSA-N -1 3 385.428 0.246 20 0 GCADHM C[C@@](CNC(=O)[C@]12C[C@H]1COC2)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574958609 949680514 /nfs/dbraw/zinc/68/05/14/949680514.db2.gz UMOSDDZMWAUNOA-NBHSMZAVSA-N -1 3 385.428 0.246 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574132145 949681442 /nfs/dbraw/zinc/68/14/42/949681442.db2.gz RBZGIULILQETNO-NSHDSACASA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574132145 949681454 /nfs/dbraw/zinc/68/14/54/949681454.db2.gz RBZGIULILQETNO-NSHDSACASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@](CNC(=O)[C@]12C[C@H]1COC2)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574958610 949681570 /nfs/dbraw/zinc/68/15/70/949681570.db2.gz UMOSDDZMWAUNOA-PDSMFRHLSA-N -1 3 385.428 0.246 20 0 GCADHM C[C@](CNC(=O)[C@]12C[C@H]1COC2)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574958610 949681581 /nfs/dbraw/zinc/68/15/81/949681581.db2.gz UMOSDDZMWAUNOA-PDSMFRHLSA-N -1 3 385.428 0.246 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574132252 949686073 /nfs/dbraw/zinc/68/60/73/949686073.db2.gz UJXJJCHVOANWIK-GXTWGEPZSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574132252 949686087 /nfs/dbraw/zinc/68/60/87/949686087.db2.gz UJXJJCHVOANWIK-GXTWGEPZSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CN1CCOCC1 ZINC001573816651 949686329 /nfs/dbraw/zinc/68/63/29/949686329.db2.gz TVMGJCOQZIXZHO-OAHLLOKOSA-N -1 3 388.476 0.537 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CN1CCOCC1 ZINC001573816651 949686337 /nfs/dbraw/zinc/68/63/37/949686337.db2.gz TVMGJCOQZIXZHO-OAHLLOKOSA-N -1 3 388.476 0.537 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ncc(-c5nnn[n-]5)cc4F)C[C@H]3C2)CCOC1 ZINC001575553661 949686599 /nfs/dbraw/zinc/68/65/99/949686599.db2.gz OLGDYEZZRJHWDU-JCGVRSQUSA-N -1 3 387.419 0.722 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ncc(-c5nn[n-]n5)cc4F)C[C@H]3C2)CCOC1 ZINC001575553661 949686604 /nfs/dbraw/zinc/68/66/04/949686604.db2.gz OLGDYEZZRJHWDU-JCGVRSQUSA-N -1 3 387.419 0.722 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ncc(-c5nnn[n-]5)cc4F)C[C@H]3C2)CCOC1 ZINC001575553659 949689090 /nfs/dbraw/zinc/68/90/90/949689090.db2.gz OLGDYEZZRJHWDU-FHSNZYRGSA-N -1 3 387.419 0.722 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ncc(-c5nn[n-]n5)cc4F)C[C@H]3C2)CCOC1 ZINC001575553659 949689103 /nfs/dbraw/zinc/68/91/03/949689103.db2.gz OLGDYEZZRJHWDU-FHSNZYRGSA-N -1 3 387.419 0.722 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)CCCOC1 ZINC001575553563 949689411 /nfs/dbraw/zinc/68/94/11/949689411.db2.gz LODXQOWTCJFOHA-IOHHAYIISA-N -1 3 399.455 0.684 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)CCCOC1 ZINC001575553563 949689422 /nfs/dbraw/zinc/68/94/22/949689422.db2.gz LODXQOWTCJFOHA-IOHHAYIISA-N -1 3 399.455 0.684 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001574477971 949690165 /nfs/dbraw/zinc/69/01/65/949690165.db2.gz TYJQCJWBGCLUAT-CQSZACIVSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001574477971 949690177 /nfs/dbraw/zinc/69/01/77/949690177.db2.gz TYJQCJWBGCLUAT-CQSZACIVSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575879690 949690491 /nfs/dbraw/zinc/69/04/91/949690491.db2.gz REQNTPPUMRELCG-SMDDNHRTSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575879690 949690511 /nfs/dbraw/zinc/69/05/11/949690511.db2.gz REQNTPPUMRELCG-SMDDNHRTSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169719 949691688 /nfs/dbraw/zinc/69/16/88/949691688.db2.gz HXHGGGVNQCXYQU-JQWIXIFHSA-N -1 3 383.420 0.057 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169719 949691700 /nfs/dbraw/zinc/69/17/00/949691700.db2.gz HXHGGGVNQCXYQU-JQWIXIFHSA-N -1 3 383.420 0.057 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574716447 949691880 /nfs/dbraw/zinc/69/18/80/949691880.db2.gz OQRAFDDDKDQPOV-WDEREUQCSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574716447 949691891 /nfs/dbraw/zinc/69/18/91/949691891.db2.gz OQRAFDDDKDQPOV-WDEREUQCSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CC(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574478053 949695347 /nfs/dbraw/zinc/69/53/47/949695347.db2.gz UQHPUAYARIFREF-LLVKDONJSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574478053 949695359 /nfs/dbraw/zinc/69/53/59/949695359.db2.gz UQHPUAYARIFREF-LLVKDONJSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574478137 949696917 /nfs/dbraw/zinc/69/69/17/949696917.db2.gz VRIPMRAQUCXMSB-LBPRGKRZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574478137 949696934 /nfs/dbraw/zinc/69/69/34/949696934.db2.gz VRIPMRAQUCXMSB-LBPRGKRZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574958980 949697562 /nfs/dbraw/zinc/69/75/62/949697562.db2.gz XCJVWCABWLHJBX-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574958980 949697576 /nfs/dbraw/zinc/69/75/76/949697576.db2.gz XCJVWCABWLHJBX-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716593 949698397 /nfs/dbraw/zinc/69/83/97/949698397.db2.gz KUZAXAODONCWLP-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716593 949698412 /nfs/dbraw/zinc/69/84/12/949698412.db2.gz KUZAXAODONCWLP-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716596 949699284 /nfs/dbraw/zinc/69/92/84/949699284.db2.gz KXLPYPLCPZRSMG-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716596 949699305 /nfs/dbraw/zinc/69/93/05/949699305.db2.gz KXLPYPLCPZRSMG-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573817190 949699519 /nfs/dbraw/zinc/69/95/19/949699519.db2.gz YPKXWRNQTLVRPQ-FZMZJTMJSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573817190 949699534 /nfs/dbraw/zinc/69/95/34/949699534.db2.gz YPKXWRNQTLVRPQ-FZMZJTMJSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575880250 949700683 /nfs/dbraw/zinc/70/06/83/949700683.db2.gz SWVGLOJLAGKYNX-GXTWGEPZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575880250 949700699 /nfs/dbraw/zinc/70/06/99/949700699.db2.gz SWVGLOJLAGKYNX-GXTWGEPZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880606 949702548 /nfs/dbraw/zinc/70/25/48/949702548.db2.gz UYAJSAQWDWVNHG-PWSUYJOCSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880606 949702567 /nfs/dbraw/zinc/70/25/67/949702567.db2.gz UYAJSAQWDWVNHG-PWSUYJOCSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574959037 949703174 /nfs/dbraw/zinc/70/31/74/949703174.db2.gz PUCLQQYQJQMOCW-JIMOISOXSA-N -1 3 385.407 0.855 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574959037 949703180 /nfs/dbraw/zinc/70/31/80/949703180.db2.gz PUCLQQYQJQMOCW-JIMOISOXSA-N -1 3 385.407 0.855 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccncc1 ZINC001574478324 949704129 /nfs/dbraw/zinc/70/41/29/949704129.db2.gz WNSLDUAMOIMPFY-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccncc1 ZINC001574478324 949704141 /nfs/dbraw/zinc/70/41/41/949704141.db2.gz WNSLDUAMOIMPFY-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574478210 949704667 /nfs/dbraw/zinc/70/46/67/949704667.db2.gz WINBIVQMTZYFHZ-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574478210 949704681 /nfs/dbraw/zinc/70/46/81/949704681.db2.gz WINBIVQMTZYFHZ-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001574478389 949706482 /nfs/dbraw/zinc/70/64/82/949706482.db2.gz XGYRGLXHOVYZMN-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001574478389 949706500 /nfs/dbraw/zinc/70/65/00/949706500.db2.gz XGYRGLXHOVYZMN-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001575557179 949708805 /nfs/dbraw/zinc/70/88/05/949708805.db2.gz CMDYINLZROIKGU-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001575557179 949708827 /nfs/dbraw/zinc/70/88/27/949708827.db2.gz CMDYINLZROIKGU-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM C[C@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276202 949708957 /nfs/dbraw/zinc/70/89/57/949708957.db2.gz HVHAUWZDGOVNHD-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276202 949708977 /nfs/dbraw/zinc/70/89/77/949708977.db2.gz HVHAUWZDGOVNHD-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574478472 949709579 /nfs/dbraw/zinc/70/95/79/949709579.db2.gz XZRIQCCLIHFVTP-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574478472 949709596 /nfs/dbraw/zinc/70/95/96/949709596.db2.gz XZRIQCCLIHFVTP-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574959389 949710713 /nfs/dbraw/zinc/71/07/13/949710713.db2.gz QWTUWGCPIVBYBZ-KGYLQXTDSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574959389 949710729 /nfs/dbraw/zinc/71/07/29/949710729.db2.gz QWTUWGCPIVBYBZ-KGYLQXTDSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575276179 949712012 /nfs/dbraw/zinc/71/20/12/949712012.db2.gz HLWCOVIVTQEQBF-LBPRGKRZSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575276179 949712030 /nfs/dbraw/zinc/71/20/30/949712030.db2.gz HLWCOVIVTQEQBF-LBPRGKRZSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576170359 949712726 /nfs/dbraw/zinc/71/27/26/949712726.db2.gz KQBFKYIHWKOFAV-GXTWGEPZSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576170359 949712737 /nfs/dbraw/zinc/71/27/37/949712737.db2.gz KQBFKYIHWKOFAV-GXTWGEPZSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574478621 949712972 /nfs/dbraw/zinc/71/29/72/949712972.db2.gz ZPHOXQFLTZNWPI-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574478621 949712988 /nfs/dbraw/zinc/71/29/88/949712988.db2.gz ZPHOXQFLTZNWPI-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNc2ncccc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575557302 949714440 /nfs/dbraw/zinc/71/44/40/949714440.db2.gz GQBZKRDWYJVQKC-FZKQIMNGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNc2ncccc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575557302 949714454 /nfs/dbraw/zinc/71/44/54/949714454.db2.gz GQBZKRDWYJVQKC-FZKQIMNGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001575276460 949719252 /nfs/dbraw/zinc/71/92/52/949719252.db2.gz JFWWSSRSAKXRAH-DTWKUNHWSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001575276460 949719263 /nfs/dbraw/zinc/71/92/63/949719263.db2.gz JFWWSSRSAKXRAH-DTWKUNHWSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576170463 949719548 /nfs/dbraw/zinc/71/95/48/949719548.db2.gz KXAHVHOYUUGFNP-YPMHNXCESA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1cncnc1 ZINC001575276494 949719724 /nfs/dbraw/zinc/71/97/24/949719724.db2.gz JUBDYHUAWLLNMY-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1cncnc1 ZINC001575276494 949719736 /nfs/dbraw/zinc/71/97/36/949719736.db2.gz JUBDYHUAWLLNMY-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1ccoc1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575276480 949722945 /nfs/dbraw/zinc/72/29/45/949722945.db2.gz JPSCNEOYKHYSCZ-NSHDSACASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](NC(=O)CCc1ccoc1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575276480 949722953 /nfs/dbraw/zinc/72/29/53/949722953.db2.gz JPSCNEOYKHYSCZ-NSHDSACASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576170534 949724245 /nfs/dbraw/zinc/72/42/45/949724245.db2.gz MBQUCDHCPCNNHF-OCCSQVGLSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576170534 949724269 /nfs/dbraw/zinc/72/42/69/949724269.db2.gz MBQUCDHCPCNNHF-OCCSQVGLSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](NC(=O)CCc1cscn1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276534 949726580 /nfs/dbraw/zinc/72/65/80/949726580.db2.gz KELWWSUIRHQQOU-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1cscn1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276534 949726586 /nfs/dbraw/zinc/72/65/86/949726586.db2.gz KELWWSUIRHQQOU-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574479083 949730373 /nfs/dbraw/zinc/73/03/73/949730373.db2.gz CRQWEQISXHFRDU-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276791 949733067 /nfs/dbraw/zinc/73/30/67/949733067.db2.gz LOJLKOCFBTUQEL-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276791 949733082 /nfs/dbraw/zinc/73/30/82/949733082.db2.gz LOJLKOCFBTUQEL-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCC[C@H](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576170679 949733703 /nfs/dbraw/zinc/73/37/03/949733703.db2.gz NBUZMEQQAXLJBF-STQMWFEESA-N -1 3 388.476 0.503 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001575881771 949733662 /nfs/dbraw/zinc/73/36/62/949733662.db2.gz AQQKIMLEUOXSBN-TZMCWYRMSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881741 949733680 /nfs/dbraw/zinc/73/36/80/949733680.db2.gz AGHSOXZNVWFSID-IINYFYTJSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881741 949733689 /nfs/dbraw/zinc/73/36/89/949733689.db2.gz AGHSOXZNVWFSID-IINYFYTJSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CCN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)CCOC1 ZINC001575558361 949734690 /nfs/dbraw/zinc/73/46/90/949734690.db2.gz OVPUAYWONHJNQG-OMPKRAJASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)CCOC1 ZINC001575558361 949734711 /nfs/dbraw/zinc/73/47/11/949734711.db2.gz OVPUAYWONHJNQG-OMPKRAJASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnc1 ZINC001575881851 949739332 /nfs/dbraw/zinc/73/93/32/949739332.db2.gz CDRNHCAMSXOAAR-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575277076 949739555 /nfs/dbraw/zinc/73/95/55/949739555.db2.gz NINQZSXATKXZJB-GFCCVEGCSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575277076 949739571 /nfs/dbraw/zinc/73/95/71/949739571.db2.gz NINQZSXATKXZJB-GFCCVEGCSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574479752 949741955 /nfs/dbraw/zinc/74/19/55/949741955.db2.gz GSGZFJXXONGMBR-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574479752 949741968 /nfs/dbraw/zinc/74/19/68/949741968.db2.gz GSGZFJXXONGMBR-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574480143 949742508 /nfs/dbraw/zinc/74/25/08/949742508.db2.gz GYVGYYHLDKLJHN-WCQYABFASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574480143 949742523 /nfs/dbraw/zinc/74/25/23/949742523.db2.gz GYVGYYHLDKLJHN-WCQYABFASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170975 949744681 /nfs/dbraw/zinc/74/46/81/949744681.db2.gz OLHPMWMLEBVXEA-WCQYABFASA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170975 949744690 /nfs/dbraw/zinc/74/46/90/949744690.db2.gz OLHPMWMLEBVXEA-WCQYABFASA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277296 949744645 /nfs/dbraw/zinc/74/46/45/949744645.db2.gz PUGIZKMIECVGPS-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277296 949744655 /nfs/dbraw/zinc/74/46/55/949744655.db2.gz PUGIZKMIECVGPS-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](CC(=O)N1CCC(CNc2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574479732 949744772 /nfs/dbraw/zinc/74/47/72/949744772.db2.gz GKZKRIISHKYUEU-NSHDSACASA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CCC(CNc2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574479732 949744780 /nfs/dbraw/zinc/74/47/80/949744780.db2.gz GKZKRIISHKYUEU-NSHDSACASA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnn(C)c1 ZINC001575882052 949746626 /nfs/dbraw/zinc/74/66/26/949746626.db2.gz FVFFLURLIOHALI-GWCFXTLKSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnn(C)c1 ZINC001575882052 949746642 /nfs/dbraw/zinc/74/66/42/949746642.db2.gz FVFFLURLIOHALI-GWCFXTLKSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574717997 949751472 /nfs/dbraw/zinc/75/14/72/949751472.db2.gz YEDZQCCYQLJTHP-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574717997 949751490 /nfs/dbraw/zinc/75/14/90/949751490.db2.gz YEDZQCCYQLJTHP-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](NC(=O)CCc1ccccn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277836 949754210 /nfs/dbraw/zinc/75/42/10/949754210.db2.gz RRCOYVHOCLQXTI-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1ccccn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277836 949754222 /nfs/dbraw/zinc/75/42/22/949754222.db2.gz RRCOYVHOCLQXTI-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccn(C)c1 ZINC001575882144 949756551 /nfs/dbraw/zinc/75/65/51/949756551.db2.gz GZKZABPBIOVINM-BXUZGUMPSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccn(C)c1 ZINC001575882144 949756589 /nfs/dbraw/zinc/75/65/89/949756589.db2.gz GZKZABPBIOVINM-BXUZGUMPSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574480872 949757466 /nfs/dbraw/zinc/75/74/66/949757466.db2.gz KUYUGOILGUZAJM-VHSXEESVSA-N -1 3 376.396 0.466 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574480872 949757472 /nfs/dbraw/zinc/75/74/72/949757472.db2.gz KUYUGOILGUZAJM-VHSXEESVSA-N -1 3 376.396 0.466 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574963785 949758622 /nfs/dbraw/zinc/75/86/22/949758622.db2.gz NDIAOVSGWDMSBG-GXFFZTMASA-N -1 3 375.408 0.839 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cccnn1 ZINC001575882196 949758441 /nfs/dbraw/zinc/75/84/41/949758441.db2.gz HSJNFIQQCLWADR-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cccnn1 ZINC001575882196 949758455 /nfs/dbraw/zinc/75/84/55/949758455.db2.gz HSJNFIQQCLWADR-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574963785 949758641 /nfs/dbraw/zinc/75/86/41/949758641.db2.gz NDIAOVSGWDMSBG-GXFFZTMASA-N -1 3 375.408 0.839 20 0 GCADHM C[C@@H](NC(=O)CCc1cncnc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575278198 949764736 /nfs/dbraw/zinc/76/47/36/949764736.db2.gz UHYNVIWQKTUROE-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1cncnc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575278198 949764755 /nfs/dbraw/zinc/76/47/55/949764755.db2.gz UHYNVIWQKTUROE-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574964045 949765298 /nfs/dbraw/zinc/76/52/98/949765298.db2.gz OVKCHVAOJBIXEX-BXKDBHETSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574964045 949765311 /nfs/dbraw/zinc/76/53/11/949765311.db2.gz OVKCHVAOJBIXEX-BXKDBHETSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574964062 949766773 /nfs/dbraw/zinc/76/67/73/949766773.db2.gz PGYHXDPQQUDSJP-TUAOUCFPSA-N -1 3 389.435 0.848 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574964062 949766796 /nfs/dbraw/zinc/76/67/96/949766796.db2.gz PGYHXDPQQUDSJP-TUAOUCFPSA-N -1 3 389.435 0.848 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574137742 949769421 /nfs/dbraw/zinc/76/94/21/949769421.db2.gz XBEAPLTYUSSHAL-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574137742 949769441 /nfs/dbraw/zinc/76/94/41/949769441.db2.gz XBEAPLTYUSSHAL-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574964225 949771383 /nfs/dbraw/zinc/77/13/83/949771383.db2.gz SEDIKKUQBSHIEY-JIMOISOXSA-N -1 3 391.407 0.203 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574964225 949771401 /nfs/dbraw/zinc/77/14/01/949771401.db2.gz SEDIKKUQBSHIEY-JIMOISOXSA-N -1 3 391.407 0.203 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882411 949771877 /nfs/dbraw/zinc/77/18/77/949771877.db2.gz KGHPSTGHNLIEEY-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM CC(C)C[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574137829 949772085 /nfs/dbraw/zinc/77/20/85/949772085.db2.gz YAHPTSJOORDERD-RYUDHWBXSA-N -1 3 377.449 0.426 20 0 GCADHM CC(C)C[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574137829 949772100 /nfs/dbraw/zinc/77/21/00/949772100.db2.gz YAHPTSJOORDERD-RYUDHWBXSA-N -1 3 377.449 0.426 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574137827 949772325 /nfs/dbraw/zinc/77/23/25/949772325.db2.gz YAHPTSJOORDERD-NEPJUHHUSA-N -1 3 377.449 0.426 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574137827 949772339 /nfs/dbraw/zinc/77/23/39/949772339.db2.gz YAHPTSJOORDERD-NEPJUHHUSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574718254 949773614 /nfs/dbraw/zinc/77/36/14/949773614.db2.gz ZPWFZFWNZBAXAS-MWLCHTKSSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574718254 949773626 /nfs/dbraw/zinc/77/36/26/949773626.db2.gz ZPWFZFWNZBAXAS-MWLCHTKSSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccnnc1 ZINC001575882469 949776485 /nfs/dbraw/zinc/77/64/85/949776485.db2.gz LJGCLAOYAHVVSC-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccnnc1 ZINC001575882469 949776500 /nfs/dbraw/zinc/77/65/00/949776500.db2.gz LJGCLAOYAHVVSC-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574138025 949777594 /nfs/dbraw/zinc/77/75/94/949777594.db2.gz ZEXNCSTZVMHPHT-AAEUAGOBSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574138025 949777613 /nfs/dbraw/zinc/77/76/13/949777613.db2.gz ZEXNCSTZVMHPHT-AAEUAGOBSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574138028 949778958 /nfs/dbraw/zinc/77/89/58/949778958.db2.gz ZEXNCSTZVMHPHT-YPMHNXCESA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574138028 949778978 /nfs/dbraw/zinc/77/89/78/949778978.db2.gz ZEXNCSTZVMHPHT-YPMHNXCESA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171806 949779686 /nfs/dbraw/zinc/77/96/86/949779686.db2.gz SQGCDWCEEHYHIK-RISCZKNCSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171806 949779696 /nfs/dbraw/zinc/77/96/96/949779696.db2.gz SQGCDWCEEHYHIK-RISCZKNCSA-N -1 3 382.432 0.662 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001574138141 949781389 /nfs/dbraw/zinc/78/13/89/949781389.db2.gz AZQQCJJIHONARE-NILFDRSVSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001574138141 949781402 /nfs/dbraw/zinc/78/14/02/949781402.db2.gz AZQQCJJIHONARE-NILFDRSVSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1ccncc1 ZINC001575279544 949782768 /nfs/dbraw/zinc/78/27/68/949782768.db2.gz YXSIVVFYQVZEOK-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1ccncc1 ZINC001575279544 949782784 /nfs/dbraw/zinc/78/27/84/949782784.db2.gz YXSIVVFYQVZEOK-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575279543 949785548 /nfs/dbraw/zinc/78/55/48/949785548.db2.gz YXSIVVFYQVZEOK-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575279543 949785560 /nfs/dbraw/zinc/78/55/60/949785560.db2.gz YXSIVVFYQVZEOK-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576172021 949787628 /nfs/dbraw/zinc/78/76/28/949787628.db2.gz UHQUFJIZPJRONU-YPMHNXCESA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576172021 949787640 /nfs/dbraw/zinc/78/76/40/949787640.db2.gz UHQUFJIZPJRONU-YPMHNXCESA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575280910 949791220 /nfs/dbraw/zinc/79/12/20/949791220.db2.gz BONNCXZTKOXNHN-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575280910 949791231 /nfs/dbraw/zinc/79/12/31/949791231.db2.gz BONNCXZTKOXNHN-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574481632 949791422 /nfs/dbraw/zinc/79/14/22/949791422.db2.gz SILFGJMITUMNFE-LLVKDONJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574481632 949791436 /nfs/dbraw/zinc/79/14/36/949791436.db2.gz SILFGJMITUMNFE-LLVKDONJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576172060 949793549 /nfs/dbraw/zinc/79/35/49/949793549.db2.gz UMEIHXYYJDKQLU-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576172060 949793574 /nfs/dbraw/zinc/79/35/74/949793574.db2.gz UMEIHXYYJDKQLU-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574720583 949793804 /nfs/dbraw/zinc/79/38/04/949793804.db2.gz DBUBEWNLFBCQEE-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574720583 949793817 /nfs/dbraw/zinc/79/38/17/949793817.db2.gz DBUBEWNLFBCQEE-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575281059 949796807 /nfs/dbraw/zinc/79/68/07/949796807.db2.gz CMDGGCSAMNUQTJ-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575281059 949796821 /nfs/dbraw/zinc/79/68/21/949796821.db2.gz CMDGGCSAMNUQTJ-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575281046 949798071 /nfs/dbraw/zinc/79/80/71/949798071.db2.gz BZETYRJEMQMXDA-MNOVXSKESA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575281046 949798086 /nfs/dbraw/zinc/79/80/86/949798086.db2.gz BZETYRJEMQMXDA-MNOVXSKESA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574481776 949800314 /nfs/dbraw/zinc/80/03/14/949800314.db2.gz VJDYNFKCEKCZGN-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574481776 949800336 /nfs/dbraw/zinc/80/03/36/949800336.db2.gz VJDYNFKCEKCZGN-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281420 949805310 /nfs/dbraw/zinc/80/53/10/949805310.db2.gz FZDJNUVGXNECSP-RYUDHWBXSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281420 949805330 /nfs/dbraw/zinc/80/53/30/949805330.db2.gz FZDJNUVGXNECSP-RYUDHWBXSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574139039 949806935 /nfs/dbraw/zinc/80/69/35/949806935.db2.gz HWMLBFJXHDEBBI-WCQYABFASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574139039 949806960 /nfs/dbraw/zinc/80/69/60/949806960.db2.gz HWMLBFJXHDEBBI-WCQYABFASA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281418 949807000 /nfs/dbraw/zinc/80/70/00/949807000.db2.gz FZDJNUVGXNECSP-NEPJUHHUSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281418 949807023 /nfs/dbraw/zinc/80/70/23/949807023.db2.gz FZDJNUVGXNECSP-NEPJUHHUSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574481892 949810840 /nfs/dbraw/zinc/81/08/40/949810840.db2.gz XDJHPXLVBFYFGE-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574481892 949810859 /nfs/dbraw/zinc/81/08/59/949810859.db2.gz XDJHPXLVBFYFGE-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575561792 949815614 /nfs/dbraw/zinc/81/56/14/949815614.db2.gz CSUMYXHXHJOZLS-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575561792 949815635 /nfs/dbraw/zinc/81/56/35/949815635.db2.gz CSUMYXHXHJOZLS-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281836 949817369 /nfs/dbraw/zinc/81/73/69/949817369.db2.gz HNSFGUKAXDNCMP-NWDGAFQWSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281836 949817393 /nfs/dbraw/zinc/81/73/93/949817393.db2.gz HNSFGUKAXDNCMP-NWDGAFQWSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721449 949817732 /nfs/dbraw/zinc/81/77/32/949817732.db2.gz LPWMJALUMDAXCK-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721449 949817749 /nfs/dbraw/zinc/81/77/49/949817749.db2.gz LPWMJALUMDAXCK-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576172734 949819740 /nfs/dbraw/zinc/81/97/40/949819740.db2.gz VVKYTSFBVYGMCF-GXTWGEPZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576172734 949819768 /nfs/dbraw/zinc/81/97/68/949819768.db2.gz VVKYTSFBVYGMCF-GXTWGEPZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575883521 949820494 /nfs/dbraw/zinc/82/04/94/949820494.db2.gz RFOQPHMGNABHEY-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575883521 949820511 /nfs/dbraw/zinc/82/05/11/949820511.db2.gz RFOQPHMGNABHEY-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574965918 949821995 /nfs/dbraw/zinc/82/19/95/949821995.db2.gz OTONOCQIIGSUFD-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574965918 949822012 /nfs/dbraw/zinc/82/20/12/949822012.db2.gz OTONOCQIIGSUFD-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575883698 949822928 /nfs/dbraw/zinc/82/29/28/949822928.db2.gz SNBVLPYPVQMMQV-BXKDBHETSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575883698 949822946 /nfs/dbraw/zinc/82/29/46/949822946.db2.gz SNBVLPYPVQMMQV-BXKDBHETSA-N -1 3 386.441 0.613 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574139714 949823265 /nfs/dbraw/zinc/82/32/65/949823265.db2.gz LGQZVAOIBMSCKK-YPMHNXCESA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574139714 949823285 /nfs/dbraw/zinc/82/32/85/949823285.db2.gz LGQZVAOIBMSCKK-YPMHNXCESA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573823296 949823308 /nfs/dbraw/zinc/82/33/08/949823308.db2.gz UKQFMEQRSSQUAG-DGCLKSJQSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573823296 949823340 /nfs/dbraw/zinc/82/33/40/949823340.db2.gz UKQFMEQRSSQUAG-DGCLKSJQSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1COC(=O)N1 ZINC001573823343 949824264 /nfs/dbraw/zinc/82/42/64/949824264.db2.gz VDJBHKIJBNUDID-QWRGUYRKSA-N -1 3 392.395 0.452 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1COC(=O)N1 ZINC001573823343 949824285 /nfs/dbraw/zinc/82/42/85/949824285.db2.gz VDJBHKIJBNUDID-QWRGUYRKSA-N -1 3 392.395 0.452 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccn1 ZINC001574483513 949824568 /nfs/dbraw/zinc/82/45/68/949824568.db2.gz BEDVDKFPPRXTIO-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccn1 ZINC001574483513 949824590 /nfs/dbraw/zinc/82/45/90/949824590.db2.gz BEDVDKFPPRXTIO-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CC(=O)N1CCCC1 ZINC001575883684 949825746 /nfs/dbraw/zinc/82/57/46/949825746.db2.gz SIYBPMHUPMTMLU-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574483572 949826082 /nfs/dbraw/zinc/82/60/82/949826082.db2.gz DILRVMYYYMQDBE-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574483572 949826103 /nfs/dbraw/zinc/82/61/03/949826103.db2.gz DILRVMYYYMQDBE-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)C1=CCOCC1 ZINC001575883629 949826342 /nfs/dbraw/zinc/82/63/42/949826342.db2.gz RVFRDQALLAAENY-RISCZKNCSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)C1=CCOCC1 ZINC001575883629 949826362 /nfs/dbraw/zinc/82/63/62/949826362.db2.gz RVFRDQALLAAENY-RISCZKNCSA-N -1 3 385.428 0.651 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCNC(N)=O ZINC001573823305 949826755 /nfs/dbraw/zinc/82/67/55/949826755.db2.gz UNOPIRGYNHRVNH-LLVKDONJSA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCNC(N)=O ZINC001573823305 949826777 /nfs/dbraw/zinc/82/67/77/949826777.db2.gz UNOPIRGYNHRVNH-LLVKDONJSA-N -1 3 375.437 0.263 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574965944 949827292 /nfs/dbraw/zinc/82/72/92/949827292.db2.gz PGCNJVJMOINYKI-ABKXIKBNSA-N -1 3 392.851 0.525 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574965944 949827313 /nfs/dbraw/zinc/82/73/13/949827313.db2.gz PGCNJVJMOINYKI-ABKXIKBNSA-N -1 3 392.851 0.525 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)c1ccon1 ZINC001576172901 949828586 /nfs/dbraw/zinc/82/85/86/949828586.db2.gz ZCFRGMJUWZYQII-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1ccon1 ZINC001576172901 949828607 /nfs/dbraw/zinc/82/86/07/949828607.db2.gz ZCFRGMJUWZYQII-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575883795 949829173 /nfs/dbraw/zinc/82/91/73/949829173.db2.gz HGFCHFBXMRKCKS-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575883795 949829189 /nfs/dbraw/zinc/82/91/89/949829189.db2.gz HGFCHFBXMRKCKS-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575883774 949830694 /nfs/dbraw/zinc/83/06/94/949830694.db2.gz GXHPVJUXQNFFAI-WCQYABFASA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575883774 949830715 /nfs/dbraw/zinc/83/07/15/949830715.db2.gz GXHPVJUXQNFFAI-WCQYABFASA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cccnc1 ZINC001575883820 949832819 /nfs/dbraw/zinc/83/28/19/949832819.db2.gz HGHJABGROYESLP-SMDDNHRTSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cccnc1 ZINC001575883820 949832842 /nfs/dbraw/zinc/83/28/42/949832842.db2.gz HGHJABGROYESLP-SMDDNHRTSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574483618 949833888 /nfs/dbraw/zinc/83/38/88/949833888.db2.gz FVQVXYUTYMTSHA-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574483618 949833914 /nfs/dbraw/zinc/83/39/14/949833914.db2.gz FVQVXYUTYMTSHA-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)CN1CCCNC1=O)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575282437 949834620 /nfs/dbraw/zinc/83/46/20/949834620.db2.gz BMWXYPFZMVBFQF-QWRGUYRKSA-N -1 3 390.423 0.726 20 0 GCADHM C[C@H](NC(=O)CN1CCCNC1=O)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575282437 949834653 /nfs/dbraw/zinc/83/46/53/949834653.db2.gz BMWXYPFZMVBFQF-QWRGUYRKSA-N -1 3 390.423 0.726 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575883937 949834951 /nfs/dbraw/zinc/83/49/51/949834951.db2.gz HPISBIQXQNLDSI-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575883937 949834972 /nfs/dbraw/zinc/83/49/72/949834972.db2.gz HPISBIQXQNLDSI-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575282580 949835712 /nfs/dbraw/zinc/83/57/12/949835712.db2.gz LDOMUEVQGGCYGA-SNVBAGLBSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575282580 949835731 /nfs/dbraw/zinc/83/57/31/949835731.db2.gz LDOMUEVQGGCYGA-SNVBAGLBSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575282489 949839527 /nfs/dbraw/zinc/83/95/27/949839527.db2.gz CBQKBBOFCULCIE-DRZSPHRISA-N -1 3 384.444 0.008 20 0 GCADHM C[C@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575282489 949839556 /nfs/dbraw/zinc/83/95/56/949839556.db2.gz CBQKBBOFCULCIE-DRZSPHRISA-N -1 3 384.444 0.008 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1ccnc1 ZINC001574483871 949843049 /nfs/dbraw/zinc/84/30/49/949843049.db2.gz OAVRHAJBJMIRFU-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575282699 949842787 /nfs/dbraw/zinc/84/27/87/949842787.db2.gz LTLWFXAFMQJJKC-RYUDHWBXSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575282699 949842809 /nfs/dbraw/zinc/84/28/09/949842809.db2.gz LTLWFXAFMQJJKC-RYUDHWBXSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1ccnc1 ZINC001574483871 949843069 /nfs/dbraw/zinc/84/30/69/949843069.db2.gz OAVRHAJBJMIRFU-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575282755 949843386 /nfs/dbraw/zinc/84/33/86/949843386.db2.gz MHNHTCKWVJUQAM-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](NC(=O)COc1ccccc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575282755 949843411 /nfs/dbraw/zinc/84/34/11/949843411.db2.gz MHNHTCKWVJUQAM-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](NC(=O)COC1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575282661 949843791 /nfs/dbraw/zinc/84/37/91/949843791.db2.gz LONRHSZXINOEIG-QWRGUYRKSA-N -1 3 391.432 0.013 20 0 GCADHM C[C@H](NC(=O)COC1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575282661 949843813 /nfs/dbraw/zinc/84/38/13/949843813.db2.gz LONRHSZXINOEIG-QWRGUYRKSA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@H](NC(=O)COC1CCOCC1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575282659 949845346 /nfs/dbraw/zinc/84/53/46/949845346.db2.gz LONRHSZXINOEIG-GHMZBOCLSA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@H](NC(=O)COC1CCOCC1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575282659 949845372 /nfs/dbraw/zinc/84/53/72/949845372.db2.gz LONRHSZXINOEIG-GHMZBOCLSA-N -1 3 391.432 0.013 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573824159 949846593 /nfs/dbraw/zinc/84/65/93/949846593.db2.gz DHLOPLRFLQWEFY-NTZNESFSSA-N -1 3 387.448 0.404 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573824159 949846619 /nfs/dbraw/zinc/84/66/19/949846619.db2.gz DHLOPLRFLQWEFY-NTZNESFSSA-N -1 3 387.448 0.404 20 0 GCADHM C[C@@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575282945 949848335 /nfs/dbraw/zinc/84/83/35/949848335.db2.gz CTUTVWFCHHPVTK-GFCCVEGCSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575282945 949848362 /nfs/dbraw/zinc/84/83/62/949848362.db2.gz CTUTVWFCHHPVTK-GFCCVEGCSA-N -1 3 382.428 0.663 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)CCCC1 ZINC001575563825 949848383 /nfs/dbraw/zinc/84/83/83/949848383.db2.gz MOFHUCJHODJAGP-GXTWGEPZSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)CCCC1 ZINC001575563825 949848407 /nfs/dbraw/zinc/84/84/07/949848407.db2.gz MOFHUCJHODJAGP-GXTWGEPZSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575283007 949854896 /nfs/dbraw/zinc/85/48/96/949854896.db2.gz DRQSBASNASEWDZ-VOJFVSQTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283007 949854919 /nfs/dbraw/zinc/85/49/19/949854919.db2.gz DRQSBASNASEWDZ-VOJFVSQTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001574966769 949857873 /nfs/dbraw/zinc/85/78/73/949857873.db2.gz CBCDQNSSMKFQET-JTQLQIEISA-N -1 3 382.428 0.808 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001574966769 949857897 /nfs/dbraw/zinc/85/78/97/949857897.db2.gz CBCDQNSSMKFQET-JTQLQIEISA-N -1 3 382.428 0.808 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccc1 ZINC001574484098 949857997 /nfs/dbraw/zinc/85/79/97/949857997.db2.gz UUROXURNVGENOG-ZDUSSCGKSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccc1 ZINC001574484098 949858020 /nfs/dbraw/zinc/85/80/20/949858020.db2.gz UUROXURNVGENOG-ZDUSSCGKSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001576177791 949859157 /nfs/dbraw/zinc/85/91/57/949859157.db2.gz BPNJRAJXLJLBLN-BXKDBHETSA-N -1 3 386.395 0.872 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001574966953 949859908 /nfs/dbraw/zinc/85/99/08/949859908.db2.gz DCXWKACSKAWPMS-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575564296 949860096 /nfs/dbraw/zinc/86/00/96/949860096.db2.gz QARBUNSXNLXKQZ-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575564296 949860124 /nfs/dbraw/zinc/86/01/24/949860124.db2.gz QARBUNSXNLXKQZ-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575885069 949860749 /nfs/dbraw/zinc/86/07/49/949860749.db2.gz KHAOXPAKMCOEBY-JQWIXIFHSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575885069 949860774 /nfs/dbraw/zinc/86/07/74/949860774.db2.gz KHAOXPAKMCOEBY-JQWIXIFHSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574723986 949862056 /nfs/dbraw/zinc/86/20/56/949862056.db2.gz DLEPGGHQWABZRN-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574723986 949862077 /nfs/dbraw/zinc/86/20/77/949862077.db2.gz DLEPGGHQWABZRN-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574724013 949863465 /nfs/dbraw/zinc/86/34/65/949863465.db2.gz DUUHAFYKYOWZIM-ZDUSSCGKSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574724013 949863483 /nfs/dbraw/zinc/86/34/83/949863483.db2.gz DUUHAFYKYOWZIM-ZDUSSCGKSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cc1ccon1)C1CC1 ZINC001574967118 949864810 /nfs/dbraw/zinc/86/48/10/949864810.db2.gz FGZPOKCCQAHQSX-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1ccon1)C1CC1 ZINC001574967118 949864839 /nfs/dbraw/zinc/86/48/39/949864839.db2.gz FGZPOKCCQAHQSX-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575564638 949866702 /nfs/dbraw/zinc/86/67/02/949866702.db2.gz REQMOUSPAVXILN-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575564638 949866713 /nfs/dbraw/zinc/86/67/13/949866713.db2.gz REQMOUSPAVXILN-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cc1ccon1)C1CC1 ZINC001574967117 949866880 /nfs/dbraw/zinc/86/68/80/949866880.db2.gz FGZPOKCCQAHQSX-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1ccon1)C1CC1 ZINC001574967117 949866903 /nfs/dbraw/zinc/86/69/03/949866903.db2.gz FGZPOKCCQAHQSX-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575564676 949867483 /nfs/dbraw/zinc/86/74/83/949867483.db2.gz RQXZWBGQFIQLRA-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575564676 949867504 /nfs/dbraw/zinc/86/75/04/949867504.db2.gz RQXZWBGQFIQLRA-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)CC1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576177866 949867506 /nfs/dbraw/zinc/86/75/06/949867506.db2.gz CMSAYSAXSKQELJ-LBPRGKRZSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)CC1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576177866 949867521 /nfs/dbraw/zinc/86/75/21/949867521.db2.gz CMSAYSAXSKQELJ-LBPRGKRZSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001575283305 949867547 /nfs/dbraw/zinc/86/75/47/949867547.db2.gz FDSOEEJHDIGAMS-MNOVXSKESA-N -1 3 391.407 0.170 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001575283305 949867563 /nfs/dbraw/zinc/86/75/63/949867563.db2.gz FDSOEEJHDIGAMS-MNOVXSKESA-N -1 3 391.407 0.170 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccn(C)n1 ZINC001575885865 949877711 /nfs/dbraw/zinc/87/77/11/949877711.db2.gz LTGMUSGTYFLCQH-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccn(C)n1 ZINC001575885865 949877735 /nfs/dbraw/zinc/87/77/35/949877735.db2.gz LTGMUSGTYFLCQH-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574724649 949877966 /nfs/dbraw/zinc/87/79/66/949877966.db2.gz INOFDLSFEGLLEB-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574724649 949877990 /nfs/dbraw/zinc/87/79/90/949877990.db2.gz INOFDLSFEGLLEB-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001574967746 949878030 /nfs/dbraw/zinc/87/80/30/949878030.db2.gz JRYSYEXNPASMJO-SFHVURJKSA-N -1 3 385.428 0.556 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001574967746 949878055 /nfs/dbraw/zinc/87/80/55/949878055.db2.gz JRYSYEXNPASMJO-SFHVURJKSA-N -1 3 385.428 0.556 20 0 GCADHM C[C@@H](NC(=O)CN(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001575283648 949880121 /nfs/dbraw/zinc/88/01/21/949880121.db2.gz GPKZSRBDHGEVEX-LLVKDONJSA-N -1 3 386.416 0.327 20 0 GCADHM C[C@@H](NC(=O)CN(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001575283648 949880144 /nfs/dbraw/zinc/88/01/44/949880144.db2.gz GPKZSRBDHGEVEX-LLVKDONJSA-N -1 3 386.416 0.327 20 0 GCADHM C[C@H](NC(=O)CN1CCCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575283718 949880223 /nfs/dbraw/zinc/88/02/23/949880223.db2.gz HACBFYAIBHMYJV-UONOGXRCSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575283719 949881012 /nfs/dbraw/zinc/88/10/12/949881012.db2.gz HACBFYAIBHMYJV-ZIAGYGMSSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575283691 949881775 /nfs/dbraw/zinc/88/17/75/949881775.db2.gz GSEWZGURYDLEPL-RKDXNWHRSA-N -1 3 391.827 0.297 20 0 GCADHM C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575283691 949881794 /nfs/dbraw/zinc/88/17/94/949881794.db2.gz GSEWZGURYDLEPL-RKDXNWHRSA-N -1 3 391.827 0.297 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574724890 949883062 /nfs/dbraw/zinc/88/30/62/949883062.db2.gz LCJJTAPBGOSCRU-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574724890 949883089 /nfs/dbraw/zinc/88/30/89/949883089.db2.gz LCJJTAPBGOSCRU-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM CC1CCN(C(=O)C(=O)NC/C=C/CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001576178241 949883392 /nfs/dbraw/zinc/88/33/92/949883392.db2.gz GVPQHLOZBVAHAM-NSCUHMNNSA-N -1 3 384.444 0.605 20 0 GCADHM CC1CCN(C(=O)C(=O)NC/C=C/CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001576178241 949883413 /nfs/dbraw/zinc/88/34/13/949883413.db2.gz GVPQHLOZBVAHAM-NSCUHMNNSA-N -1 3 384.444 0.605 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575886596 949888709 /nfs/dbraw/zinc/88/87/09/949888709.db2.gz MZXQOPPVBIBAPI-JQWIXIFHSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575886596 949888731 /nfs/dbraw/zinc/88/87/31/949888731.db2.gz MZXQOPPVBIBAPI-JQWIXIFHSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574725029 949890683 /nfs/dbraw/zinc/89/06/83/949890683.db2.gz NRNOHLGZOWWBNP-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574725029 949890712 /nfs/dbraw/zinc/89/07/12/949890712.db2.gz NRNOHLGZOWWBNP-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001574968365 949891189 /nfs/dbraw/zinc/89/11/89/949891189.db2.gz OJSDFNDYHQRXFE-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001574968365 949891208 /nfs/dbraw/zinc/89/12/08/949891208.db2.gz OJSDFNDYHQRXFE-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575886993 949893173 /nfs/dbraw/zinc/89/31/73/949893173.db2.gz NPHWZEDVCGJPMF-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575886993 949893192 /nfs/dbraw/zinc/89/31/92/949893192.db2.gz NPHWZEDVCGJPMF-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001574968364 949893522 /nfs/dbraw/zinc/89/35/22/949893522.db2.gz OJSDFNDYHQRXFE-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001574968364 949893556 /nfs/dbraw/zinc/89/35/56/949893556.db2.gz OJSDFNDYHQRXFE-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1CCNC(=O)C1CC1 ZINC001575887124 949894381 /nfs/dbraw/zinc/89/43/81/949894381.db2.gz NWWRURQQLGAGPY-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CCNC(=O)C1CC1 ZINC001575887124 949894403 /nfs/dbraw/zinc/89/44/03/949894403.db2.gz NWWRURQQLGAGPY-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575284176 949897494 /nfs/dbraw/zinc/89/74/94/949897494.db2.gz HZCYGSZZTJEFFU-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)C[C@@H](C)OCCC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574143928 949901129 /nfs/dbraw/zinc/90/11/29/949901129.db2.gz IVYZQQRWUDLIAA-GFCCVEGCSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@@H](C)OCCC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574143928 949901151 /nfs/dbraw/zinc/90/11/51/949901151.db2.gz IVYZQQRWUDLIAA-GFCCVEGCSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576178924 949901328 /nfs/dbraw/zinc/90/13/28/949901328.db2.gz DDWKKFUTEIVEQJ-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576178924 949901341 /nfs/dbraw/zinc/90/13/41/949901341.db2.gz DDWKKFUTEIVEQJ-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576178927 949904116 /nfs/dbraw/zinc/90/41/16/949904116.db2.gz DDWKKFUTEIVEQJ-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cocn2)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576178927 949904134 /nfs/dbraw/zinc/90/41/34/949904134.db2.gz DDWKKFUTEIVEQJ-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](NC(=O)CN1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001575284513 949904357 /nfs/dbraw/zinc/90/43/57/949904357.db2.gz JAOOCRRRJUINAT-NSHDSACASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(Cl)no1 ZINC001574968610 949905274 /nfs/dbraw/zinc/90/52/74/949905274.db2.gz QSUUSFZAOHQTLH-SSDOTTSWSA-N -1 3 378.780 0.632 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(Cl)no1 ZINC001574968610 949905285 /nfs/dbraw/zinc/90/52/85/949905285.db2.gz QSUUSFZAOHQTLH-SSDOTTSWSA-N -1 3 378.780 0.632 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576179066 949907626 /nfs/dbraw/zinc/90/76/26/949907626.db2.gz JVKIDRRMQRGJEA-MFKMUULPSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576179066 949907650 /nfs/dbraw/zinc/90/76/50/949907650.db2.gz JVKIDRRMQRGJEA-MFKMUULPSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574725737 949907992 /nfs/dbraw/zinc/90/79/92/949907992.db2.gz CFYZYMUAMMWITI-ZYHUDNBSSA-N -1 3 379.396 0.465 20 0 GCADHM C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574725737 949908006 /nfs/dbraw/zinc/90/80/06/949908006.db2.gz CFYZYMUAMMWITI-ZYHUDNBSSA-N -1 3 379.396 0.465 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575887746 949908279 /nfs/dbraw/zinc/90/82/79/949908279.db2.gz ZZOOSUKYNPZVQJ-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575887746 949908299 /nfs/dbraw/zinc/90/82/99/949908299.db2.gz ZZOOSUKYNPZVQJ-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575887711 949909736 /nfs/dbraw/zinc/90/97/36/949909736.db2.gz OPAYNHOXNPJJSB-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575887711 949909752 /nfs/dbraw/zinc/90/97/52/949909752.db2.gz OPAYNHOXNPJJSB-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H](C)c1ccnn1C ZINC001574968742 949910034 /nfs/dbraw/zinc/91/00/34/949910034.db2.gz SBPFZFXXNVGUON-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H](C)c1ccnn1C ZINC001574968742 949910053 /nfs/dbraw/zinc/91/00/53/949910053.db2.gz SBPFZFXXNVGUON-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575887708 949910035 /nfs/dbraw/zinc/91/00/35/949910035.db2.gz OPAYNHOXNPJJSB-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575887708 949910049 /nfs/dbraw/zinc/91/00/49/949910049.db2.gz OPAYNHOXNPJJSB-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1cnoc1 ZINC001575887759 949910428 /nfs/dbraw/zinc/91/04/28/949910428.db2.gz ZZWPDSYALRDBBV-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1cnoc1 ZINC001575887759 949910445 /nfs/dbraw/zinc/91/04/45/949910445.db2.gz ZZWPDSYALRDBBV-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575887716 949910986 /nfs/dbraw/zinc/91/09/86/949910986.db2.gz OPAYNHOXNPJJSB-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575887716 949911003 /nfs/dbraw/zinc/91/10/03/949911003.db2.gz OPAYNHOXNPJJSB-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574484866 949911729 /nfs/dbraw/zinc/91/17/29/949911729.db2.gz QHXUCSAKURKZLN-QWHCGFSZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574484866 949911746 /nfs/dbraw/zinc/91/17/46/949911746.db2.gz QHXUCSAKURKZLN-QWHCGFSZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284704 949916379 /nfs/dbraw/zinc/91/63/79/949916379.db2.gz VWTWMYRDTQDMNZ-RYUDHWBXSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284704 949916405 /nfs/dbraw/zinc/91/64/05/949916405.db2.gz VWTWMYRDTQDMNZ-RYUDHWBXSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccncc1F ZINC001575887936 949916541 /nfs/dbraw/zinc/91/65/41/949916541.db2.gz PGHYCJMAXSZOGL-NOZJJQNGSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccncc1F ZINC001575887936 949916556 /nfs/dbraw/zinc/91/65/56/949916556.db2.gz PGHYCJMAXSZOGL-NOZJJQNGSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H](NC(=O)COCC(F)F)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284698 949916557 /nfs/dbraw/zinc/91/65/57/949916557.db2.gz VPRJZVCABGTODT-MRVPVSSYSA-N -1 3 383.359 0.053 20 0 GCADHM C[C@@H](NC(=O)COCC(F)F)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284698 949916576 /nfs/dbraw/zinc/91/65/76/949916576.db2.gz VPRJZVCABGTODT-MRVPVSSYSA-N -1 3 383.359 0.053 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576179508 949916972 /nfs/dbraw/zinc/91/69/72/949916972.db2.gz AGBZAFMPYRWCEJ-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574725982 949921750 /nfs/dbraw/zinc/92/17/50/949921750.db2.gz WNFNOQARAIRTKI-JTQLQIEISA-N -1 3 388.411 0.421 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574725982 949921782 /nfs/dbraw/zinc/92/17/82/949921782.db2.gz WNFNOQARAIRTKI-JTQLQIEISA-N -1 3 388.411 0.421 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(Cl)cn1C ZINC001574969015 949924320 /nfs/dbraw/zinc/92/43/20/949924320.db2.gz YAQAKSASYLESGP-SECBINFHSA-N -1 3 390.835 0.983 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(Cl)cn1C ZINC001574969015 949924339 /nfs/dbraw/zinc/92/43/39/949924339.db2.gz YAQAKSASYLESGP-SECBINFHSA-N -1 3 390.835 0.983 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575889045 949927401 /nfs/dbraw/zinc/92/74/01/949927401.db2.gz RFQSQRMMQODVAD-GXTWGEPZSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575889045 949927426 /nfs/dbraw/zinc/92/74/26/949927426.db2.gz RFQSQRMMQODVAD-GXTWGEPZSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COC1CCCC1 ZINC001575889023 949928492 /nfs/dbraw/zinc/92/84/92/949928492.db2.gz RCHDZWZWYWDCEK-RISCZKNCSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COC1CCCC1 ZINC001575889023 949928505 /nfs/dbraw/zinc/92/85/05/949928505.db2.gz RCHDZWZWYWDCEK-RISCZKNCSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575285053 949931551 /nfs/dbraw/zinc/93/15/51/949931551.db2.gz LSMSIJYSDHMGMZ-FZMZJTMJSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575285053 949931574 /nfs/dbraw/zinc/93/15/74/949931574.db2.gz LSMSIJYSDHMGMZ-FZMZJTMJSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)CCNC(=O)C1 ZINC001575570099 949934899 /nfs/dbraw/zinc/93/48/99/949934899.db2.gz PETVLJBLRUEJCE-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)CCNC(=O)C1 ZINC001575570099 949934923 /nfs/dbraw/zinc/93/49/23/949934923.db2.gz PETVLJBLRUEJCE-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1)[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575285224 949936349 /nfs/dbraw/zinc/93/63/49/949936349.db2.gz LWIKGVXSVJFMMY-KGLIPLIRSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@H](NC(=O)CN1CCCC1)[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575285227 949937495 /nfs/dbraw/zinc/93/74/95/949937495.db2.gz LWIKGVXSVJFMMY-UONOGXRCSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576180116 949938252 /nfs/dbraw/zinc/93/82/52/949938252.db2.gz CFEOVUJCVLMALJ-CHWSQXEVSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576180116 949938266 /nfs/dbraw/zinc/93/82/66/949938266.db2.gz CFEOVUJCVLMALJ-CHWSQXEVSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285347 949943323 /nfs/dbraw/zinc/94/33/23/949943323.db2.gz NGHCJRPCUJAEDW-NWDGAFQWSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285347 949943335 /nfs/dbraw/zinc/94/33/35/949943335.db2.gz NGHCJRPCUJAEDW-NWDGAFQWSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575285274 949943659 /nfs/dbraw/zinc/94/36/59/949943659.db2.gz MGEDWRDCUGIAQN-DGCLKSJQSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575285274 949943679 /nfs/dbraw/zinc/94/36/79/949943679.db2.gz MGEDWRDCUGIAQN-DGCLKSJQSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCC(C)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576180222 949944454 /nfs/dbraw/zinc/94/44/54/949944454.db2.gz DHLIETUKXYBIEB-CYBMUJFWSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCC(C)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576180222 949944470 /nfs/dbraw/zinc/94/44/70/949944470.db2.gz DHLIETUKXYBIEB-CYBMUJFWSA-N -1 3 388.476 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccnnc1 ZINC001574147689 949944905 /nfs/dbraw/zinc/94/49/05/949944905.db2.gz AEGHILVVRSYIER-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccnnc1 ZINC001574147689 949944922 /nfs/dbraw/zinc/94/49/22/949944922.db2.gz AEGHILVVRSYIER-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001575285513 949946620 /nfs/dbraw/zinc/94/66/20/949946620.db2.gz NZFWSQWPSALENB-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575285513 949946649 /nfs/dbraw/zinc/94/66/49/949946649.db2.gz NZFWSQWPSALENB-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575570900 949946793 /nfs/dbraw/zinc/94/67/93/949946793.db2.gz WGOMNYJJWXULNA-ADLMAVQZSA-N -1 3 387.419 0.617 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575570900 949946813 /nfs/dbraw/zinc/94/68/13/949946813.db2.gz WGOMNYJJWXULNA-ADLMAVQZSA-N -1 3 387.419 0.617 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccnn1C ZINC001575890149 949947228 /nfs/dbraw/zinc/94/72/28/949947228.db2.gz VOHHJYWYXKMKMD-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccnn1C ZINC001575890149 949947246 /nfs/dbraw/zinc/94/72/46/949947246.db2.gz VOHHJYWYXKMKMD-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001575285516 949947446 /nfs/dbraw/zinc/94/74/46/949947446.db2.gz NZFWSQWPSALENB-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575285516 949947462 /nfs/dbraw/zinc/94/74/62/949947462.db2.gz NZFWSQWPSALENB-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574488424 949948331 /nfs/dbraw/zinc/94/83/31/949948331.db2.gz FSCADLFQHRSBFM-SNPRPXQTSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574488424 949948350 /nfs/dbraw/zinc/94/83/50/949948350.db2.gz FSCADLFQHRSBFM-SNPRPXQTSA-N -1 3 379.428 0.899 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C)cn1 ZINC001574147749 949948938 /nfs/dbraw/zinc/94/89/38/949948938.db2.gz BRCOEVVMSCCUAE-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C)cn1 ZINC001574147749 949948949 /nfs/dbraw/zinc/94/89/49/949948949.db2.gz BRCOEVVMSCCUAE-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575285480 949950362 /nfs/dbraw/zinc/95/03/62/949950362.db2.gz NSEFOIDRUUFBAR-OLZOCXBDSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575285480 949950382 /nfs/dbraw/zinc/95/03/82/949950382.db2.gz NSEFOIDRUUFBAR-OLZOCXBDSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001574973064 949950570 /nfs/dbraw/zinc/95/05/70/949950570.db2.gz GIXWZIOWYFLMHL-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001574973064 949950597 /nfs/dbraw/zinc/95/05/97/949950597.db2.gz GIXWZIOWYFLMHL-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C)cn1 ZINC001574147762 949951868 /nfs/dbraw/zinc/95/18/68/949951868.db2.gz BXDNQPLAPXZURZ-LLVKDONJSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C)cn1 ZINC001574147762 949951882 /nfs/dbraw/zinc/95/18/82/949951882.db2.gz BXDNQPLAPXZURZ-LLVKDONJSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)COC(C)(C)C ZINC001575890402 949954692 /nfs/dbraw/zinc/95/46/92/949954692.db2.gz XHXOLVXGCXSOTJ-ZYHUDNBSSA-N -1 3 375.433 0.729 20 0 GCADHM 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C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575890738 949963663 /nfs/dbraw/zinc/96/36/63/949963663.db2.gz ZANSALYMZSBSMJ-JQWIXIFHSA-N -1 3 381.400 0.132 20 0 GCADHM CC(C)N(C(=O)CN(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001574974192 949967420 /nfs/dbraw/zinc/96/74/20/949967420.db2.gz LYJYYZBHBNSAAP-CYBMUJFWSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)(C)CC(=O)N1CCC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573829974 949967535 /nfs/dbraw/zinc/96/75/35/949967535.db2.gz GFHFOPOBLBHGRI-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N1CCC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573829974 949967554 /nfs/dbraw/zinc/96/75/54/949967554.db2.gz GFHFOPOBLBHGRI-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@](CNC(=O)[C@]1(C)CCOC1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575572005 949967800 /nfs/dbraw/zinc/96/78/00/949967800.db2.gz CJFTXOHDMVKQTP-QZTJIDSGSA-N -1 3 387.444 0.636 20 0 GCADHM 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ZINC001574148024 949969858 /nfs/dbraw/zinc/96/98/58/949969858.db2.gz IYDOJWKQKBWQAJ-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1cnoc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148024 949969881 /nfs/dbraw/zinc/96/98/81/949969881.db2.gz IYDOJWKQKBWQAJ-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001574489705 949970053 /nfs/dbraw/zinc/97/00/53/949970053.db2.gz LAMZRJQXGKLBDR-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001574489705 949970077 /nfs/dbraw/zinc/97/00/77/949970077.db2.gz LAMZRJQXGKLBDR-ZLKJLUDKSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575890929 949972159 /nfs/dbraw/zinc/97/21/59/949972159.db2.gz BMIRDCVQFWBRGR-QWRGUYRKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575890929 949972184 /nfs/dbraw/zinc/97/21/84/949972184.db2.gz BMIRDCVQFWBRGR-QWRGUYRKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CC(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)NC(N)=O ZINC001574489970 949973455 /nfs/dbraw/zinc/97/34/55/949973455.db2.gz MDYDUKUWCMETNA-BMLIUANNSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H](CC(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)NC(N)=O ZINC001574489970 949973469 /nfs/dbraw/zinc/97/34/69/949973469.db2.gz MDYDUKUWCMETNA-BMLIUANNSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575286191 949974634 /nfs/dbraw/zinc/97/46/34/949974634.db2.gz UKGPZFMAUYRACR-RISCZKNCSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C)NC(N)=O ZINC001574489953 949975636 /nfs/dbraw/zinc/97/56/36/949975636.db2.gz LZQRRTHVJBWFEC-JQWIXIFHSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C)NC(N)=O ZINC001574489953 949975657 /nfs/dbraw/zinc/97/56/57/949975657.db2.gz LZQRRTHVJBWFEC-JQWIXIFHSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)c1ccon1 ZINC001576180905 949976469 /nfs/dbraw/zinc/97/64/69/949976469.db2.gz KCKNLSGCZJCZSP-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)c1ccon1 ZINC001576180905 949976479 /nfs/dbraw/zinc/97/64/79/949976479.db2.gz KCKNLSGCZJCZSP-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C)C1CC1 ZINC001575286405 949977348 /nfs/dbraw/zinc/97/73/48/949977348.db2.gz WBHIHDRJATVBAF-WZRBSPASSA-N -1 3 386.460 0.302 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C)C1CC1 ZINC001575286405 949977373 /nfs/dbraw/zinc/97/73/73/949977373.db2.gz WBHIHDRJATVBAF-WZRBSPASSA-N -1 3 386.460 0.302 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1CC(C)(C)CO1 ZINC001574974305 949978307 /nfs/dbraw/zinc/97/83/07/949978307.db2.gz NVUHTURLVRTHIP-YPMHNXCESA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1CC(C)(C)CO1 ZINC001574974305 949978328 /nfs/dbraw/zinc/97/83/28/949978328.db2.gz NVUHTURLVRTHIP-YPMHNXCESA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001575286499 949986002 /nfs/dbraw/zinc/98/60/02/949986002.db2.gz XFUMICXMVUXALB-ZJUUUORDSA-N -1 3 375.408 0.837 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001575286499 949986024 /nfs/dbraw/zinc/98/60/24/949986024.db2.gz XFUMICXMVUXALB-ZJUUUORDSA-N -1 3 375.408 0.837 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001575891105 949986723 /nfs/dbraw/zinc/98/67/23/949986723.db2.gz DXXINPSDWOUIBW-QWHCGFSZSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@]1(C)CCOC1 ZINC001574148471 949987028 /nfs/dbraw/zinc/98/70/28/949987028.db2.gz NWBURONZZFSDLU-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@]1(C)CCOC1 ZINC001574148471 949987046 /nfs/dbraw/zinc/98/70/46/949987046.db2.gz NWBURONZZFSDLU-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1cccn1 ZINC001574148700 949987532 /nfs/dbraw/zinc/98/75/32/949987532.db2.gz OUCJURQXXSOYSU-GFCCVEGCSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1cccn1 ZINC001574148700 949987554 /nfs/dbraw/zinc/98/75/54/949987554.db2.gz OUCJURQXXSOYSU-GFCCVEGCSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575891200 949989748 /nfs/dbraw/zinc/98/97/48/949989748.db2.gz GLNYXNKMHLWHTI-ZYHUDNBSSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575891200 949989770 /nfs/dbraw/zinc/98/97/70/949989770.db2.gz GLNYXNKMHLWHTI-ZYHUDNBSSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575573213 949990035 /nfs/dbraw/zinc/99/00/35/949990035.db2.gz KVASMLUIKIUMHQ-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575573213 949990055 /nfs/dbraw/zinc/99/00/55/949990055.db2.gz KVASMLUIKIUMHQ-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574974600 949990902 /nfs/dbraw/zinc/99/09/02/949990902.db2.gz BRKPGHKIZXFWRK-GWCFXTLKSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574974600 949990920 /nfs/dbraw/zinc/99/09/20/949990920.db2.gz BRKPGHKIZXFWRK-GWCFXTLKSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1)NC(N)=O ZINC001574490401 949991341 /nfs/dbraw/zinc/99/13/41/949991341.db2.gz RBPXLDXKEGXLHJ-GRYCIOLGSA-N -1 3 387.448 0.215 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1)NC(N)=O ZINC001574490401 949991362 /nfs/dbraw/zinc/99/13/62/949991362.db2.gz RBPXLDXKEGXLHJ-GRYCIOLGSA-N -1 3 387.448 0.215 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575891179 949991124 /nfs/dbraw/zinc/99/11/24/949991124.db2.gz GHKAIOOUANANII-MWLCHTKSSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575891179 949991142 /nfs/dbraw/zinc/99/11/42/949991142.db2.gz GHKAIOOUANANII-MWLCHTKSSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001574974521 949992221 /nfs/dbraw/zinc/99/22/21/949992221.db2.gz AUYAVTJMKNKFPL-SNVBAGLBSA-N -1 3 384.400 0.163 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccc(=O)[nH]c1 ZINC001574974521 949992234 /nfs/dbraw/zinc/99/22/34/949992234.db2.gz AUYAVTJMKNKFPL-SNVBAGLBSA-N -1 3 384.400 0.163 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574148745 949993671 /nfs/dbraw/zinc/99/36/71/949993671.db2.gz PJHMIFIKKGBOAH-UUIJZJDISA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574148745 949993692 /nfs/dbraw/zinc/99/36/92/949993692.db2.gz PJHMIFIKKGBOAH-UUIJZJDISA-N -1 3 387.444 0.348 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ncc[nH]2)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576181258 949994280 /nfs/dbraw/zinc/99/42/80/949994280.db2.gz SIHGPQMKNPAXSE-ZWNOBZJWSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ncc[nH]2)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576181258 949994303 /nfs/dbraw/zinc/99/43/03/949994303.db2.gz SIHGPQMKNPAXSE-ZWNOBZJWSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575287032 949994719 /nfs/dbraw/zinc/99/47/19/949994719.db2.gz ZTICKIAMJVRLGF-UEKVPHQBSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H](NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575287032 949994740 /nfs/dbraw/zinc/99/47/40/949994740.db2.gz ZTICKIAMJVRLGF-UEKVPHQBSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575891233 949994872 /nfs/dbraw/zinc/99/48/72/949994872.db2.gz GVQZVZAJFOOSLK-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575891233 949994891 /nfs/dbraw/zinc/99/48/91/949994891.db2.gz GVQZVZAJFOOSLK-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)(C)C ZINC001574490433 949994819 /nfs/dbraw/zinc/99/48/19/949994819.db2.gz RNHDOHIIVXZDGI-NEPJUHHUSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)(C)C ZINC001574490433 949994835 /nfs/dbraw/zinc/99/48/35/949994835.db2.gz RNHDOHIIVXZDGI-NEPJUHHUSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574490426 949996099 /nfs/dbraw/zinc/99/60/99/949996099.db2.gz RJSYNIVKNMBIRQ-MNOVXSKESA-N -1 3 392.439 0.389 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574490426 949996119 /nfs/dbraw/zinc/99/61/19/949996119.db2.gz RJSYNIVKNMBIRQ-MNOVXSKESA-N -1 3 392.439 0.389 20 0 GCADHM CC(C)(C)CC(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573831372 949997236 /nfs/dbraw/zinc/99/72/36/949997236.db2.gz WOEFGRCGAHQCSL-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CC(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573831372 949997255 /nfs/dbraw/zinc/99/72/55/949997255.db2.gz WOEFGRCGAHQCSL-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cc[nH]n1 ZINC001574148912 949997866 /nfs/dbraw/zinc/99/78/66/949997866.db2.gz SJRMTFVHBOJOFI-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cc[nH]n1 ZINC001574148912 949997886 /nfs/dbraw/zinc/99/78/86/949997886.db2.gz SJRMTFVHBOJOFI-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1ncoc1C1CC1 ZINC001574974659 949997989 /nfs/dbraw/zinc/99/79/89/949997989.db2.gz REQIHHZVFYCTSM-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1ncoc1C1CC1 ZINC001574974659 949998011 /nfs/dbraw/zinc/99/80/11/949998011.db2.gz REQIHHZVFYCTSM-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1csnn1 ZINC001574148916 949998219 /nfs/dbraw/zinc/99/82/19/949998219.db2.gz SLTXWDAAQVJSCT-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1csnn1 ZINC001574148916 949998231 /nfs/dbraw/zinc/99/82/31/949998231.db2.gz SLTXWDAAQVJSCT-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@H](CC(=O)N[C@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574490425 949998591 /nfs/dbraw/zinc/99/85/91/949998591.db2.gz RJSYNIVKNMBIRQ-GHMZBOCLSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@H](CC(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574490425 949998607 /nfs/dbraw/zinc/99/86/07/949998607.db2.gz RJSYNIVKNMBIRQ-GHMZBOCLSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@H](CC(=O)N[C@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574490445 949998840 /nfs/dbraw/zinc/99/88/40/949998840.db2.gz RWWVSRXCMBSIOU-NXEZZACHSA-N -1 3 392.489 0.312 20 0 GCADHM C[C@H](CN(C)Cc1ccc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H](C)NC(N)=O ZINC001574490428 949998911 /nfs/dbraw/zinc/99/89/11/949998911.db2.gz RJSYNIVKNMBIRQ-WDEREUQCSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@H](CN(C)Cc1ccc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H](C)NC(N)=O ZINC001574490428 949998921 /nfs/dbraw/zinc/99/89/21/949998921.db2.gz RJSYNIVKNMBIRQ-WDEREUQCSA-N -1 3 392.439 0.389 20 0 GCADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCCC1 ZINC001575573525 949998984 /nfs/dbraw/zinc/99/89/84/949998984.db2.gz MTANDPQFAUNMMH-CYBMUJFWSA-N -1 3 389.460 0.762 20 0 GCADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCCC1 ZINC001575573525 949999002 /nfs/dbraw/zinc/99/90/02/949999002.db2.gz MTANDPQFAUNMMH-CYBMUJFWSA-N -1 3 389.460 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001575891315 949999724 /nfs/dbraw/zinc/99/97/24/949999724.db2.gz HXBLUELQYKKIRA-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001575891315 949999746 /nfs/dbraw/zinc/99/97/46/949999746.db2.gz HXBLUELQYKKIRA-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574148860 949999769 /nfs/dbraw/zinc/99/97/69/949999769.db2.gz RMUDYMCISKUJOL-LLVKDONJSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574148860 949999803 /nfs/dbraw/zinc/99/98/03/949999803.db2.gz RMUDYMCISKUJOL-LLVKDONJSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1ccon1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574148925 950000808 /nfs/dbraw/zinc/00/08/08/950000808.db2.gz SODMVRPWGBWABV-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1ccon1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148925 950000832 /nfs/dbraw/zinc/00/08/32/950000832.db2.gz SODMVRPWGBWABV-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2Cl)CCOC1 ZINC001575573748 950000848 /nfs/dbraw/zinc/00/08/48/950000848.db2.gz OSVLZHQZOCHAII-MEBBXXQBSA-N -1 3 381.824 0.231 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2Cl)CCOC1 ZINC001575573748 950000870 /nfs/dbraw/zinc/00/08/70/950000870.db2.gz OSVLZHQZOCHAII-MEBBXXQBSA-N -1 3 381.824 0.231 20 0 GCADHM C[C@H](NC(=O)Cc1c[nH]cn1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575289644 950001162 /nfs/dbraw/zinc/00/11/62/950001162.db2.gz AVAKHVVOOYWVAG-RYUDHWBXSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](NC(=O)Cc1c[nH]cn1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575289644 950001183 /nfs/dbraw/zinc/00/11/83/950001183.db2.gz AVAKHVVOOYWVAG-RYUDHWBXSA-N -1 3 382.432 0.344 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnnc1 ZINC001574149119 950001564 /nfs/dbraw/zinc/00/15/64/950001564.db2.gz SVSUFAKGJLGZLU-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnnc1 ZINC001574149119 950001577 /nfs/dbraw/zinc/00/15/77/950001577.db2.gz SVSUFAKGJLGZLU-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574974834 950002779 /nfs/dbraw/zinc/00/27/79/950002779.db2.gz BYYRAFOJJRVQDS-NSHDSACASA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574974834 950002800 /nfs/dbraw/zinc/00/28/00/950002800.db2.gz BYYRAFOJJRVQDS-NSHDSACASA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576181352 950003319 /nfs/dbraw/zinc/00/33/19/950003319.db2.gz HSBSGHBYNMCOMT-WCQYABFASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576181352 950003340 /nfs/dbraw/zinc/00/33/40/950003340.db2.gz HSBSGHBYNMCOMT-WCQYABFASA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573833685 950005208 /nfs/dbraw/zinc/00/52/08/950005208.db2.gz BVOXGOWOAOZBEQ-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573833685 950005227 /nfs/dbraw/zinc/00/52/27/950005227.db2.gz BVOXGOWOAOZBEQ-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574490641 950008170 /nfs/dbraw/zinc/00/81/70/950008170.db2.gz WONCJYLBCWGOEZ-KBVBSXBZSA-N -1 3 391.411 0.107 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574490641 950008189 /nfs/dbraw/zinc/00/81/89/950008189.db2.gz WONCJYLBCWGOEZ-KBVBSXBZSA-N -1 3 391.411 0.107 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574490642 950008630 /nfs/dbraw/zinc/00/86/30/950008630.db2.gz WONCJYLBCWGOEZ-VDDIYKPWSA-N -1 3 391.411 0.107 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574490642 950008651 /nfs/dbraw/zinc/00/86/51/950008651.db2.gz WONCJYLBCWGOEZ-VDDIYKPWSA-N -1 3 391.411 0.107 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CCC(=O)NC1 ZINC001575574047 950008559 /nfs/dbraw/zinc/00/85/59/950008559.db2.gz RGFVWQWOVMTJDC-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCC(=O)NC1 ZINC001575574047 950008578 /nfs/dbraw/zinc/00/85/78/950008578.db2.gz RGFVWQWOVMTJDC-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1ncnn1CCF ZINC001574974940 950008716 /nfs/dbraw/zinc/00/87/16/950008716.db2.gz FERMFCDXFVCAMJ-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1ncnn1CCF ZINC001574974940 950008735 /nfs/dbraw/zinc/00/87/35/950008735.db2.gz FERMFCDXFVCAMJ-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574490684 950011021 /nfs/dbraw/zinc/01/10/21/950011021.db2.gz XIFLFOUOPIHGKG-ZANVPECISA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574490684 950011043 /nfs/dbraw/zinc/01/10/43/950011043.db2.gz XIFLFOUOPIHGKG-ZANVPECISA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575891475 950011478 /nfs/dbraw/zinc/01/14/78/950011478.db2.gz KCKDATQMIQZESY-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575891475 950011500 /nfs/dbraw/zinc/01/15/00/950011500.db2.gz KCKDATQMIQZESY-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575891610 950015868 /nfs/dbraw/zinc/01/58/68/950015868.db2.gz LUWXVRHUOXACOY-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575891610 950015893 /nfs/dbraw/zinc/01/58/93/950015893.db2.gz LUWXVRHUOXACOY-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C2CC2)n[nH]1 ZINC001574975027 950015963 /nfs/dbraw/zinc/01/59/63/950015963.db2.gz VEPJPHGTUXMJRD-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COC(C)C ZINC001574150133 950016632 /nfs/dbraw/zinc/01/66/32/950016632.db2.gz XYWYGGZSWMUHHT-CYBMUJFWSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COC(C)C ZINC001574150133 950016658 /nfs/dbraw/zinc/01/66/58/950016658.db2.gz XYWYGGZSWMUHHT-CYBMUJFWSA-N -1 3 377.449 0.881 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1ccnc1 ZINC001574490806 950017592 /nfs/dbraw/zinc/01/75/92/950017592.db2.gz ZJXDZSBALRCZPB-DGCLKSJQSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1ccnc1 ZINC001574490806 950017617 /nfs/dbraw/zinc/01/76/17/950017617.db2.gz ZJXDZSBALRCZPB-DGCLKSJQSA-N -1 3 382.432 0.811 20 0 GCADHM CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001573834140 950019263 /nfs/dbraw/zinc/01/92/63/950019263.db2.gz GTNLYJUZIWNFLJ-AAEUAGOBSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001573834140 950019276 /nfs/dbraw/zinc/01/92/76/950019276.db2.gz GTNLYJUZIWNFLJ-AAEUAGOBSA-N -1 3 375.433 0.323 20 0 GCADHM CC1(C(=O)N[C@H]2COC3(CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)CCC1 ZINC001575574368 950020515 /nfs/dbraw/zinc/02/05/15/950020515.db2.gz UJBKNRSHQGFIGA-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N[C@H]2COC3(CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)C2)CCC1 ZINC001575574368 950020536 /nfs/dbraw/zinc/02/05/36/950020536.db2.gz UJBKNRSHQGFIGA-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001574150400 950030378 /nfs/dbraw/zinc/03/03/78/950030378.db2.gz ZNDXEGSIMZBKPH-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001574150400 950030398 /nfs/dbraw/zinc/03/03/98/950030398.db2.gz ZNDXEGSIMZBKPH-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575891790 950030968 /nfs/dbraw/zinc/03/09/68/950030968.db2.gz NRNPKKQEYNDETO-KOLCDFICSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575891790 950030986 /nfs/dbraw/zinc/03/09/86/950030986.db2.gz NRNPKKQEYNDETO-KOLCDFICSA-N -1 3 382.384 0.328 20 0 GCADHM CC(C)C[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150375 950033723 /nfs/dbraw/zinc/03/37/23/950033723.db2.gz ZHGPPCLSQLXRQW-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150375 950033746 /nfs/dbraw/zinc/03/37/46/950033746.db2.gz ZHGPPCLSQLXRQW-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ncccc1F ZINC001575891805 950035200 /nfs/dbraw/zinc/03/52/00/950035200.db2.gz NZGDIMXAVGXOCH-GXSJLCMTSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ncccc1F ZINC001575891805 950035220 /nfs/dbraw/zinc/03/52/20/950035220.db2.gz NZGDIMXAVGXOCH-GXSJLCMTSA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnns1 ZINC001574150883 950040400 /nfs/dbraw/zinc/04/04/00/950040400.db2.gz GCLHBLGJXWVDKW-VIFPVBQESA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnns1 ZINC001574150883 950040422 /nfs/dbraw/zinc/04/04/22/950040422.db2.gz GCLHBLGJXWVDKW-VIFPVBQESA-N -1 3 389.445 0.621 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@H]1CCCO1 ZINC001574491575 950041996 /nfs/dbraw/zinc/04/19/96/950041996.db2.gz DRRZBIJNVYSCEC-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@H]1CCCO1 ZINC001574491575 950042009 /nfs/dbraw/zinc/04/20/09/950042009.db2.gz DRRZBIJNVYSCEC-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573835230 950042414 /nfs/dbraw/zinc/04/24/14/950042414.db2.gz RLWYHRRFRCADQI-ZWNOBZJWSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573835230 950042436 /nfs/dbraw/zinc/04/24/36/950042436.db2.gz RLWYHRRFRCADQI-ZWNOBZJWSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CC(=O)NC1CC(CNc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574491765 950043581 /nfs/dbraw/zinc/04/35/81/950043581.db2.gz FNVXXUWONZFIOS-HIFPTAJRSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574491765 950043602 /nfs/dbraw/zinc/04/36/02/950043602.db2.gz FNVXXUWONZFIOS-HIFPTAJRSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1ccnc1 ZINC001574491639 950045246 /nfs/dbraw/zinc/04/52/46/950045246.db2.gz FGWRFEKUYFOTFK-GFCCVEGCSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1ccnc1 ZINC001574491639 950045267 /nfs/dbraw/zinc/04/52/67/950045267.db2.gz FGWRFEKUYFOTFK-GFCCVEGCSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574491748 950046846 /nfs/dbraw/zinc/04/68/46/950046846.db2.gz FKLIDLILLDBIEC-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574491748 950046868 /nfs/dbraw/zinc/04/68/68/950046868.db2.gz FKLIDLILLDBIEC-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575892162 950052993 /nfs/dbraw/zinc/05/29/93/950052993.db2.gz SLKJGQHOJOFWCP-KLFGWDPYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575892162 950053015 /nfs/dbraw/zinc/05/30/15/950053015.db2.gz SLKJGQHOJOFWCP-KLFGWDPYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](Nc2ncccc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575575513 950054405 /nfs/dbraw/zinc/05/44/05/950054405.db2.gz KCVHGMOYXBRQDJ-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](Nc2ncccc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575575513 950054425 /nfs/dbraw/zinc/05/44/25/950054425.db2.gz KCVHGMOYXBRQDJ-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)C[C@@H](CN[C@H](C)c1nnnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151109 950054423 /nfs/dbraw/zinc/05/44/23/950054423.db2.gz KZOJRCHWCCNDGR-MNOVXSKESA-N -1 3 387.452 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001574976117 950054747 /nfs/dbraw/zinc/05/47/47/950054747.db2.gz MLKCFHXEDNPSDQ-JOYOIKCWSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001574976118 950054866 /nfs/dbraw/zinc/05/48/66/950054866.db2.gz MLKCFHXEDNPSDQ-SKDRFNHKSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@]1(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCCC2)CCOC1 ZINC001575575576 950056027 /nfs/dbraw/zinc/05/60/27/950056027.db2.gz KLMNJMGDZJVGPP-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@]1(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCCC2)CCOC1 ZINC001575575576 950056051 /nfs/dbraw/zinc/05/60/51/950056051.db2.gz KLMNJMGDZJVGPP-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC001575575765 950057961 /nfs/dbraw/zinc/05/79/61/950057961.db2.gz LEFMRUOZXVTGNF-LLVKDONJSA-N -1 3 378.408 0.712 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC001575575765 950057987 /nfs/dbraw/zinc/05/79/87/950057987.db2.gz LEFMRUOZXVTGNF-LLVKDONJSA-N -1 3 378.408 0.712 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nn(C)cc1Cl ZINC001574976185 950061695 /nfs/dbraw/zinc/06/16/95/950061695.db2.gz NIJABKKRRBUZAP-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nn(C)cc1Cl ZINC001574976185 950061715 /nfs/dbraw/zinc/06/17/15/950061715.db2.gz NIJABKKRRBUZAP-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573835725 950063584 /nfs/dbraw/zinc/06/35/84/950063584.db2.gz AWGMNZFRKGIFDL-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573835725 950063603 /nfs/dbraw/zinc/06/36/03/950063603.db2.gz AWGMNZFRKGIFDL-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573835727 950064126 /nfs/dbraw/zinc/06/41/26/950064126.db2.gz AWGMNZFRKGIFDL-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573835727 950064150 /nfs/dbraw/zinc/06/41/50/950064150.db2.gz AWGMNZFRKGIFDL-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575892304 950065490 /nfs/dbraw/zinc/06/54/90/950065490.db2.gz VNUWFDWHHVNOBY-PSASIEDQSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575892304 950065508 /nfs/dbraw/zinc/06/55/08/950065508.db2.gz VNUWFDWHHVNOBY-PSASIEDQSA-N -1 3 387.379 0.480 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574732060 950065710 /nfs/dbraw/zinc/06/57/10/950065710.db2.gz FTKSNZNKMFDFAD-JSGCOSHPSA-N -1 3 386.460 0.920 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574732060 950065736 /nfs/dbraw/zinc/06/57/36/950065736.db2.gz FTKSNZNKMFDFAD-JSGCOSHPSA-N -1 3 386.460 0.920 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575892265 950065830 /nfs/dbraw/zinc/06/58/30/950065830.db2.gz VBZCLFHQNIEBKM-MNOVXSKESA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575892265 950065850 /nfs/dbraw/zinc/06/58/50/950065850.db2.gz VBZCLFHQNIEBKM-MNOVXSKESA-N -1 3 383.416 0.270 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CCC2)CCC(=O)NC1 ZINC001575576119 950067679 /nfs/dbraw/zinc/06/76/79/950067679.db2.gz OFJBSBNAQCRTAT-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CCC2)CCC(=O)NC1 ZINC001575576119 950067694 /nfs/dbraw/zinc/06/76/94/950067694.db2.gz OFJBSBNAQCRTAT-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001575576517 950068408 /nfs/dbraw/zinc/06/84/08/950068408.db2.gz QIRJULINIOKQLZ-GFCCVEGCSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001575576517 950068432 /nfs/dbraw/zinc/06/84/32/950068432.db2.gz QIRJULINIOKQLZ-GFCCVEGCSA-N -1 3 375.433 0.372 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575892467 950070457 /nfs/dbraw/zinc/07/04/57/950070457.db2.gz WKTKWQZUKJQXON-MNOVXSKESA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575892467 950070482 /nfs/dbraw/zinc/07/04/82/950070482.db2.gz WKTKWQZUKJQXON-MNOVXSKESA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576182916 950070982 /nfs/dbraw/zinc/07/09/82/950070982.db2.gz PXMPCFKNHJVUQS-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576182916 950071001 /nfs/dbraw/zinc/07/10/01/950071001.db2.gz PXMPCFKNHJVUQS-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575892436 950071743 /nfs/dbraw/zinc/07/17/43/950071743.db2.gz VXHFXCHBWQCFPJ-KOLCDFICSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575892436 950071765 /nfs/dbraw/zinc/07/17/65/950071765.db2.gz VXHFXCHBWQCFPJ-KOLCDFICSA-N -1 3 386.441 0.613 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC001575576463 950072123 /nfs/dbraw/zinc/07/21/23/950072123.db2.gz POXYYOWARXGIOC-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC001575576463 950072148 /nfs/dbraw/zinc/07/21/48/950072148.db2.gz POXYYOWARXGIOC-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1Cc2ccccc2C1 ZINC001574976382 950073466 /nfs/dbraw/zinc/07/34/66/950073466.db2.gz RQRZDOXIVQLKGA-LLVKDONJSA-N -1 3 379.424 0.844 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1Cc2ccccc2C1 ZINC001574976382 950073486 /nfs/dbraw/zinc/07/34/86/950073486.db2.gz RQRZDOXIVQLKGA-LLVKDONJSA-N -1 3 379.424 0.844 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151388 950075454 /nfs/dbraw/zinc/07/54/54/950075454.db2.gz QLLUECORFFHGRV-CYBMUJFWSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151388 950075475 /nfs/dbraw/zinc/07/54/75/950075475.db2.gz QLLUECORFFHGRV-CYBMUJFWSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574492312 950076482 /nfs/dbraw/zinc/07/64/82/950076482.db2.gz LZRXTLNUKCEPJL-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCCOC1 ZINC001575576629 950076450 /nfs/dbraw/zinc/07/64/50/950076450.db2.gz SFYJRQROWLTSFP-BZNIZROVSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCCOC1 ZINC001575576629 950076471 /nfs/dbraw/zinc/07/64/71/950076471.db2.gz SFYJRQROWLTSFP-BZNIZROVSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576183053 950076402 /nfs/dbraw/zinc/07/64/02/950076402.db2.gz QNEXCWVZAFXLPK-SMDDNHRTSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnnn2C)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576183053 950076424 /nfs/dbraw/zinc/07/64/24/950076424.db2.gz QNEXCWVZAFXLPK-SMDDNHRTSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574492312 950076498 /nfs/dbraw/zinc/07/64/98/950076498.db2.gz LZRXTLNUKCEPJL-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573836230 950077216 /nfs/dbraw/zinc/07/72/16/950077216.db2.gz HHWFCOWZHBDZQS-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573836230 950077238 /nfs/dbraw/zinc/07/72/38/950077238.db2.gz HHWFCOWZHBDZQS-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573836251 950078214 /nfs/dbraw/zinc/07/82/14/950078214.db2.gz IDGADTAEUMPICK-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573836251 950078236 /nfs/dbraw/zinc/07/82/36/950078236.db2.gz IDGADTAEUMPICK-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574976514 950079657 /nfs/dbraw/zinc/07/96/57/950079657.db2.gz URHHTFCYYZTIEH-LKFCYVNXSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574976514 950079679 /nfs/dbraw/zinc/07/96/79/950079679.db2.gz URHHTFCYYZTIEH-LKFCYVNXSA-N -1 3 383.387 0.908 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cccnn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151584 950083307 /nfs/dbraw/zinc/08/33/07/950083307.db2.gz VWCXCJHETRHHMP-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cccnn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151584 950083325 /nfs/dbraw/zinc/08/33/25/950083325.db2.gz VWCXCJHETRHHMP-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575893449 950084015 /nfs/dbraw/zinc/08/40/15/950084015.db2.gz AAKSVMQVKKXMNH-MFKMUULPSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575893449 950084037 /nfs/dbraw/zinc/08/40/37/950084037.db2.gz AAKSVMQVKKXMNH-MFKMUULPSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575893448 950084498 /nfs/dbraw/zinc/08/44/98/950084498.db2.gz AAKSVMQVKKXMNH-GXFFZTMASA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2N)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575893448 950084519 /nfs/dbraw/zinc/08/45/19/950084519.db2.gz AAKSVMQVKKXMNH-GXFFZTMASA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574492460 950084722 /nfs/dbraw/zinc/08/47/22/950084722.db2.gz MXTBEHDIGZKDLZ-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574492460 950084744 /nfs/dbraw/zinc/08/47/44/950084744.db2.gz MXTBEHDIGZKDLZ-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cncn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151581 950085355 /nfs/dbraw/zinc/08/53/55/950085355.db2.gz VQDDOWWIVUEDBC-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cncn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151581 950085372 /nfs/dbraw/zinc/08/53/72/950085372.db2.gz VQDDOWWIVUEDBC-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575892787 950088017 /nfs/dbraw/zinc/08/80/17/950088017.db2.gz ZLGSBLREORQIMU-ZYHUDNBSSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575892787 950088033 /nfs/dbraw/zinc/08/80/33/950088033.db2.gz ZLGSBLREORQIMU-ZYHUDNBSSA-N -1 3 381.400 0.545 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cccnn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151676 950090806 /nfs/dbraw/zinc/09/08/06/950090806.db2.gz XTNICXZQFSKTED-LLVKDONJSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cccnn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151676 950090831 /nfs/dbraw/zinc/09/08/31/950090831.db2.gz XTNICXZQFSKTED-LLVKDONJSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151815 950095066 /nfs/dbraw/zinc/09/50/66/950095066.db2.gz YSGZTNZLJWBTME-ZDUSSCGKSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnn(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151815 950095087 /nfs/dbraw/zinc/09/50/87/950095087.db2.gz YSGZTNZLJWBTME-ZDUSSCGKSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H](CC(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574492654 950095957 /nfs/dbraw/zinc/09/59/57/950095957.db2.gz ODHIFBXAFJZOEJ-SILCLGDVSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CC(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574492654 950095976 /nfs/dbraw/zinc/09/59/76/950095976.db2.gz ODHIFBXAFJZOEJ-SILCLGDVSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574492689 950096687 /nfs/dbraw/zinc/09/66/87/950096687.db2.gz ONZRIZMWNDHSEE-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574492689 950096708 /nfs/dbraw/zinc/09/67/08/950096708.db2.gz ONZRIZMWNDHSEE-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575582046 950097175 /nfs/dbraw/zinc/09/71/75/950097175.db2.gz CNAUXIJCFFZARB-KRWDZBQOSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575582046 950097196 /nfs/dbraw/zinc/09/71/96/950097196.db2.gz CNAUXIJCFFZARB-KRWDZBQOSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574733127 950097803 /nfs/dbraw/zinc/09/78/03/950097803.db2.gz SNPOXPRIQFOTRU-QMMMGPOBSA-N -1 3 376.812 0.535 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574976712 950098492 /nfs/dbraw/zinc/09/84/92/950098492.db2.gz ZEEYIMAHVJZGFN-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574976712 950098514 /nfs/dbraw/zinc/09/85/14/950098514.db2.gz ZEEYIMAHVJZGFN-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574976786 950100733 /nfs/dbraw/zinc/10/07/33/950100733.db2.gz ARMDPGZEUFYACI-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574976786 950100745 /nfs/dbraw/zinc/10/07/45/950100745.db2.gz ARMDPGZEUFYACI-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574976808 950101505 /nfs/dbraw/zinc/10/15/05/950101505.db2.gz BIAZHMQPUZMREV-JTQLQIEISA-N -1 3 383.416 0.203 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574976808 950101516 /nfs/dbraw/zinc/10/15/16/950101516.db2.gz BIAZHMQPUZMREV-JTQLQIEISA-N -1 3 383.416 0.203 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574976809 950101914 /nfs/dbraw/zinc/10/19/14/950101914.db2.gz BIAZHMQPUZMREV-SNVBAGLBSA-N -1 3 383.416 0.203 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574976809 950101920 /nfs/dbraw/zinc/10/19/20/950101920.db2.gz BIAZHMQPUZMREV-SNVBAGLBSA-N -1 3 383.416 0.203 20 0 GCADHM 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950104112 /nfs/dbraw/zinc/10/41/12/950104112.db2.gz CQLJLCCAJVZYMI-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575894641 950104104 /nfs/dbraw/zinc/10/41/04/950104104.db2.gz FNQORAVDULBLQT-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575894641 950104121 /nfs/dbraw/zinc/10/41/21/950104121.db2.gz FNQORAVDULBLQT-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574492734 950104685 /nfs/dbraw/zinc/10/46/85/950104685.db2.gz PKXCFQVPGIQREP-CHWSQXEVSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574492734 950104697 /nfs/dbraw/zinc/10/46/97/950104697.db2.gz PKXCFQVPGIQREP-CHWSQXEVSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574492797 950104810 /nfs/dbraw/zinc/10/48/10/950104810.db2.gz CWMPIWVGXKFHPU-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574492797 950104823 /nfs/dbraw/zinc/10/48/23/950104823.db2.gz CWMPIWVGXKFHPU-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575895121 950110399 /nfs/dbraw/zinc/11/03/99/950110399.db2.gz HHBDCLNMDFPXKQ-ZWNOBZJWSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575895121 950110409 /nfs/dbraw/zinc/11/04/09/950110409.db2.gz HHBDCLNMDFPXKQ-ZWNOBZJWSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccncc1Cl ZINC001574977035 950110425 /nfs/dbraw/zinc/11/04/25/950110425.db2.gz FQJDDCUPGLDWJU-VIFPVBQESA-N -1 3 388.819 0.720 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccncc1Cl ZINC001574977035 950110431 /nfs/dbraw/zinc/11/04/31/950110431.db2.gz FQJDDCUPGLDWJU-VIFPVBQESA-N -1 3 388.819 0.720 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575582503 950114789 /nfs/dbraw/zinc/11/47/89/950114789.db2.gz DUXQNGGQJZLLRV-SGTLLEGYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575582503 950114817 /nfs/dbraw/zinc/11/48/17/950114817.db2.gz DUXQNGGQJZLLRV-SGTLLEGYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574493029 950115086 /nfs/dbraw/zinc/11/50/86/950115086.db2.gz QSGXTKHSTSOMNL-STQMWFEESA-N -1 3 382.432 0.590 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574152747 950115285 /nfs/dbraw/zinc/11/52/85/950115285.db2.gz JGRIVPHMOBXNBX-OCCSQVGLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574152747 950115296 /nfs/dbraw/zinc/11/52/96/950115296.db2.gz JGRIVPHMOBXNBX-OCCSQVGLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574152748 950116278 /nfs/dbraw/zinc/11/62/78/950116278.db2.gz JGRIVPHMOBXNBX-TZMCWYRMSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574152748 950116290 /nfs/dbraw/zinc/11/62/90/950116290.db2.gz JGRIVPHMOBXNBX-TZMCWYRMSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574977514 950116900 /nfs/dbraw/zinc/11/69/00/950116900.db2.gz KMIFUOATSBRCPD-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2n(c1)CCCC2 ZINC001574977514 950116914 /nfs/dbraw/zinc/11/69/14/950116914.db2.gz KMIFUOATSBRCPD-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM CC(C)(C)CC(=O)NCCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573838475 950117024 /nfs/dbraw/zinc/11/70/24/950117024.db2.gz DZRQXNQGGPGKCT-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CC(=O)NCCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573838475 950117038 /nfs/dbraw/zinc/11/70/38/950117038.db2.gz DZRQXNQGGPGKCT-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)N1CCC(C)CC1 ZINC001576184119 950117427 /nfs/dbraw/zinc/11/74/27/950117427.db2.gz UJFBMWUIPKGWTG-ZDUSSCGKSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1coc(C2CCC2)n1 ZINC001574977269 950117694 /nfs/dbraw/zinc/11/76/94/950117694.db2.gz IUKBADLMFWTLIO-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1coc(C2CCC2)n1 ZINC001574977269 950117709 /nfs/dbraw/zinc/11/77/09/950117709.db2.gz IUKBADLMFWTLIO-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576184265 950117885 /nfs/dbraw/zinc/11/78/85/950117885.db2.gz VOMFWUCEXBUVQQ-MFKMUULPSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576184265 950117911 /nfs/dbraw/zinc/11/79/11/950117911.db2.gz VOMFWUCEXBUVQQ-MFKMUULPSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)N1CCC(C)CC1 ZINC001576184118 950119781 /nfs/dbraw/zinc/11/97/81/950119781.db2.gz UJFBMWUIPKGWTG-CYBMUJFWSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576184267 950120396 /nfs/dbraw/zinc/12/03/96/950120396.db2.gz VSQDORZVQKJIKY-ABAIWWIYSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576184267 950120411 /nfs/dbraw/zinc/12/04/11/950120411.db2.gz VSQDORZVQKJIKY-ABAIWWIYSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576184270 950120717 /nfs/dbraw/zinc/12/07/17/950120717.db2.gz VSQDORZVQKJIKY-XHDPSFHLSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576184270 950120733 /nfs/dbraw/zinc/12/07/33/950120733.db2.gz 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0.184 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574493323 950126128 /nfs/dbraw/zinc/12/61/28/950126128.db2.gz SICSXGNSVZYWLS-WCQYABFASA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574493324 950126651 /nfs/dbraw/zinc/12/66/51/950126651.db2.gz SICSXGNSVZYWLS-YPMHNXCESA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574493324 950126660 /nfs/dbraw/zinc/12/66/60/950126660.db2.gz SICSXGNSVZYWLS-YPMHNXCESA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576184413 950128063 /nfs/dbraw/zinc/12/80/63/950128063.db2.gz VLZGETVPSBPXEF-WCQYABFASA-N -1 3 387.448 0.217 20 0 GCADHM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576184413 950128077 /nfs/dbraw/zinc/12/80/77/950128077.db2.gz VLZGETVPSBPXEF-WCQYABFASA-N -1 3 387.448 0.217 20 0 GCADHM 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/nfs/dbraw/zinc/14/33/43/950143343.db2.gz PMCRBDJEFLWCGT-PWSUYJOCSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575583238 950143315 /nfs/dbraw/zinc/14/33/15/950143315.db2.gz KRFFELROQZOUQS-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575583238 950143331 /nfs/dbraw/zinc/14/33/31/950143331.db2.gz KRFFELROQZOUQS-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1COCCO1 ZINC001574153352 950144142 /nfs/dbraw/zinc/14/41/42/950144142.db2.gz SHOMVSFDVBSSIR-DZGCQCFKSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1COCCO1 ZINC001574153352 950144152 /nfs/dbraw/zinc/14/41/52/950144152.db2.gz SHOMVSFDVBSSIR-DZGCQCFKSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCC(C)CC1 ZINC001576184907 950144500 /nfs/dbraw/zinc/14/45/00/950144500.db2.gz 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C[C@H](CC(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1cccn1 ZINC001574494553 950171295 /nfs/dbraw/zinc/17/12/95/950171295.db2.gz LBHWBGKKWQKTMU-NEPJUHHUSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1cccn1 ZINC001574494553 950171305 /nfs/dbraw/zinc/17/13/05/950171305.db2.gz LBHWBGKKWQKTMU-NEPJUHHUSA-N -1 3 388.407 0.743 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574154380 950171429 /nfs/dbraw/zinc/17/14/29/950171429.db2.gz DQTOTNWCGHGQBP-ZFWWWQNUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574154380 950171436 /nfs/dbraw/zinc/17/14/36/950171436.db2.gz DQTOTNWCGHGQBP-ZFWWWQNUSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575899537 950173430 /nfs/dbraw/zinc/17/34/30/950173430.db2.gz XOGFVDIPUBYVBN-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899537 950173435 /nfs/dbraw/zinc/17/34/35/950173435.db2.gz XOGFVDIPUBYVBN-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1coc(C2CC2)n1 ZINC001574738939 950177608 /nfs/dbraw/zinc/17/76/08/950177608.db2.gz JGWNMXLLTPOADL-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1coc(C2CC2)n1 ZINC001574738939 950177636 /nfs/dbraw/zinc/17/76/36/950177636.db2.gz JGWNMXLLTPOADL-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001574738944 950177914 /nfs/dbraw/zinc/17/79/14/950177914.db2.gz JJIKZQJRAKDZLE-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001574738944 950177931 /nfs/dbraw/zinc/17/79/31/950177931.db2.gz JJIKZQJRAKDZLE-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(N)=O ZINC001574494706 950178326 /nfs/dbraw/zinc/17/83/26/950178326.db2.gz NCXPVWGSIPFPGC-MNOVXSKESA-N -1 3 392.439 0.389 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1cn(CC2CC2)nn1 ZINC001574738912 950180003 /nfs/dbraw/zinc/18/00/03/950180003.db2.gz JCMONQVEWMDARS-NSHDSACASA-N -1 3 384.448 0.447 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575899800 950180053 /nfs/dbraw/zinc/18/00/53/950180053.db2.gz ZPPWHZHQQWNCNP-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899800 950180069 /nfs/dbraw/zinc/18/00/69/950180069.db2.gz ZPPWHZHQQWNCNP-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573844113 950181611 /nfs/dbraw/zinc/18/16/11/950181611.db2.gz BHYXAHVLBVWSAM-ZIAGYGMSSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573844113 950181622 /nfs/dbraw/zinc/18/16/22/950181622.db2.gz BHYXAHVLBVWSAM-ZIAGYGMSSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575584814 950182278 /nfs/dbraw/zinc/18/22/78/950182278.db2.gz TUEZTWIFQPZKNV-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575584814 950182292 /nfs/dbraw/zinc/18/22/92/950182292.db2.gz TUEZTWIFQPZKNV-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575584816 950184555 /nfs/dbraw/zinc/18/45/55/950184555.db2.gz TUEZTWIFQPZKNV-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575584816 950184563 /nfs/dbraw/zinc/18/45/63/950184563.db2.gz TUEZTWIFQPZKNV-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1csc(=O)[nH]1 ZINC001574739198 950187568 /nfs/dbraw/zinc/18/75/68/950187568.db2.gz MSWCGJKYHABRRC-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM CC1(C(=O)NC[C@H]2CCC3(CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)O2)CC1 ZINC001575585035 950187596 /nfs/dbraw/zinc/18/75/96/950187596.db2.gz WBEKCVQUVIHHBJ-LLVKDONJSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)NC[C@H]2CCC3(CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)O2)CC1 ZINC001575585035 950187611 /nfs/dbraw/zinc/18/76/11/950187611.db2.gz WBEKCVQUVIHHBJ-LLVKDONJSA-N -1 3 385.428 0.485 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CCCOCC1 ZINC001574982841 950188850 /nfs/dbraw/zinc/18/88/50/950188850.db2.gz HBSXYCSMTABQCH-RYUDHWBXSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CCCOCC1 ZINC001574982841 950188859 /nfs/dbraw/zinc/18/88/59/950188859.db2.gz HBSXYCSMTABQCH-RYUDHWBXSA-N -1 3 375.433 0.494 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573844292 950189549 /nfs/dbraw/zinc/18/95/49/950189549.db2.gz DZXJUASXMCTBPX-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573844292 950189556 /nfs/dbraw/zinc/18/95/56/950189556.db2.gz DZXJUASXMCTBPX-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn2c(n1)CCC2 ZINC001574739381 950191520 /nfs/dbraw/zinc/19/15/20/950191520.db2.gz OLXCRCQSLVHZGE-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn2c(n1)CCC2 ZINC001574739381 950191537 /nfs/dbraw/zinc/19/15/37/950191537.db2.gz OLXCRCQSLVHZGE-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001574739369 950191838 /nfs/dbraw/zinc/19/18/38/950191838.db2.gz OFRLKQSYFWFMAM-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001574739369 950191856 /nfs/dbraw/zinc/19/18/56/950191856.db2.gz OFRLKQSYFWFMAM-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573844350 950193129 /nfs/dbraw/zinc/19/31/29/950193129.db2.gz HBBCRVLAKIYZJB-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573844350 950193143 /nfs/dbraw/zinc/19/31/43/950193143.db2.gz HBBCRVLAKIYZJB-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H](CC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001574495133 950196661 /nfs/dbraw/zinc/19/66/61/950196661.db2.gz RFZASIHVQNQIQT-SNVBAGLBSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](CC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001574495133 950196670 /nfs/dbraw/zinc/19/66/70/950196670.db2.gz RFZASIHVQNQIQT-SNVBAGLBSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1ncnn1CCF ZINC001574739528 950197208 /nfs/dbraw/zinc/19/72/08/950197208.db2.gz RECGZZYHUPIYRB-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM CC(C)(C)CNC(=O)CN(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573844528 950197423 /nfs/dbraw/zinc/19/74/23/950197423.db2.gz AWIHKWVKHAFWBH-UHFFFAOYSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573844528 950197443 /nfs/dbraw/zinc/19/74/43/950197443.db2.gz AWIHKWVKHAFWBH-UHFFFAOYSA-N -1 3 388.476 0.551 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)CCCC1 ZINC001575585529 950198325 /nfs/dbraw/zinc/19/83/25/950198325.db2.gz ACDKGLXNCQXBNX-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)CCCC1 ZINC001575585529 950198336 /nfs/dbraw/zinc/19/83/36/950198336.db2.gz ACDKGLXNCQXBNX-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575900331 950198611 /nfs/dbraw/zinc/19/86/11/950198611.db2.gz DWTJKOJZGSWYGL-CMPLNLGQSA-N -1 3 387.473 0.840 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2csnn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575900328 950199782 /nfs/dbraw/zinc/19/97/82/950199782.db2.gz DVRPKANAZGQMLQ-DTWKUNHWSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2csnn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575900328 950199796 /nfs/dbraw/zinc/19/97/96/950199796.db2.gz DVRPKANAZGQMLQ-DTWKUNHWSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1cnn(C)c1N ZINC001574155644 950202886 /nfs/dbraw/zinc/20/28/86/950202886.db2.gz PKLQXCLRDHAOAY-GFCCVEGCSA-N -1 3 384.448 0.834 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1cnn(C)c1N ZINC001574155644 950202898 /nfs/dbraw/zinc/20/28/98/950202898.db2.gz PKLQXCLRDHAOAY-GFCCVEGCSA-N -1 3 384.448 0.834 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCc1nnsc1Cl ZINC001574739676 950203483 /nfs/dbraw/zinc/20/34/83/950203483.db2.gz VOXHPYNDFWTEIB-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnsc1Cl ZINC001574739676 950203503 /nfs/dbraw/zinc/20/35/03/950203503.db2.gz VOXHPYNDFWTEIB-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574739694 950205637 /nfs/dbraw/zinc/20/56/37/950205637.db2.gz VZTSIXWLHVMTSM-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574739694 950205653 /nfs/dbraw/zinc/20/56/53/950205653.db2.gz VZTSIXWLHVMTSM-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576191609 950206131 /nfs/dbraw/zinc/20/61/31/950206131.db2.gz HJIVDLHIHNULKI-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576191609 950206150 /nfs/dbraw/zinc/20/61/50/950206150.db2.gz HJIVDLHIHNULKI-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM CC(C)[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574496108 950211725 /nfs/dbraw/zinc/21/17/25/950211725.db2.gz VURSKSBMHVNBQL-GWCFXTLKSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574496108 950211734 /nfs/dbraw/zinc/21/17/34/950211734.db2.gz VURSKSBMHVNBQL-GWCFXTLKSA-N -1 3 375.437 0.261 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574496157 950213838 /nfs/dbraw/zinc/21/38/38/950213838.db2.gz VYICMDWYGVQULR-WDEREUQCSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574496157 950213854 /nfs/dbraw/zinc/21/38/54/950213854.db2.gz VYICMDWYGVQULR-WDEREUQCSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574739970 950215573 /nfs/dbraw/zinc/21/55/73/950215573.db2.gz AMCVQZWBKZLEJQ-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574739970 950215590 /nfs/dbraw/zinc/21/55/90/950215590.db2.gz AMCVQZWBKZLEJQ-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574496549 950215881 /nfs/dbraw/zinc/21/58/81/950215881.db2.gz XGRUJJAWPYMLBI-MNOVXSKESA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574496549 950215899 /nfs/dbraw/zinc/21/58/99/950215899.db2.gz XGRUJJAWPYMLBI-MNOVXSKESA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574496547 950216510 /nfs/dbraw/zinc/21/65/10/950216510.db2.gz XGRUJJAWPYMLBI-GHMZBOCLSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574496547 950216519 /nfs/dbraw/zinc/21/65/19/950216519.db2.gz XGRUJJAWPYMLBI-GHMZBOCLSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001574983387 950219258 /nfs/dbraw/zinc/21/92/58/950219258.db2.gz OGSXNDRZCAZODF-BMIGLBTASA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001574983387 950219275 /nfs/dbraw/zinc/21/92/75/950219275.db2.gz OGSXNDRZCAZODF-BMIGLBTASA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574983468 950224128 /nfs/dbraw/zinc/22/41/28/950224128.db2.gz OKNMKRSGPJIKOP-VIFPVBQESA-N -1 3 386.391 0.688 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574983468 950224145 /nfs/dbraw/zinc/22/41/45/950224145.db2.gz OKNMKRSGPJIKOP-VIFPVBQESA-N -1 3 386.391 0.688 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001574497107 950224977 /nfs/dbraw/zinc/22/49/77/950224977.db2.gz YYDCQGZQAGZAPV-YPMHNXCESA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001574497107 950225001 /nfs/dbraw/zinc/22/50/01/950225001.db2.gz YYDCQGZQAGZAPV-YPMHNXCESA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575901245 950225362 /nfs/dbraw/zinc/22/53/62/950225362.db2.gz MPRTUWQTQBUGAQ-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901245 950225377 /nfs/dbraw/zinc/22/53/77/950225377.db2.gz MPRTUWQTQBUGAQ-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H](CC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1ccnc1 ZINC001574497112 950225760 /nfs/dbraw/zinc/22/57/60/950225760.db2.gz YZIXTPYNWKLPTF-RISCZKNCSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1ccnc1 ZINC001574497112 950225783 /nfs/dbraw/zinc/22/57/83/950225783.db2.gz YZIXTPYNWKLPTF-RISCZKNCSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1)n1ccnc1 ZINC001574497114 950227679 /nfs/dbraw/zinc/22/76/79/950227679.db2.gz YZIXTPYNWKLPTF-SMDDNHRTSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)n1ccnc1 ZINC001574497114 950227701 /nfs/dbraw/zinc/22/77/01/950227701.db2.gz YZIXTPYNWKLPTF-SMDDNHRTSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001574983599 950228818 /nfs/dbraw/zinc/22/88/18/950228818.db2.gz QEKUPSFEEDVVJK-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001574983599 950228835 /nfs/dbraw/zinc/22/88/35/950228835.db2.gz QEKUPSFEEDVVJK-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574983675 950232170 /nfs/dbraw/zinc/23/21/70/950232170.db2.gz QOTFKJMUCUFEQL-SSDOTTSWSA-N -1 3 375.780 0.229 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574983675 950232183 /nfs/dbraw/zinc/23/21/83/950232183.db2.gz QOTFKJMUCUFEQL-SSDOTTSWSA-N -1 3 375.780 0.229 20 0 GCADHM CC(C)(C)CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573845507 950232308 /nfs/dbraw/zinc/23/23/08/950232308.db2.gz GEDCJRAJKGBGEE-HBYGRHMLSA-N -1 3 386.460 0.017 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC1CCCC1 ZINC001574740776 950232831 /nfs/dbraw/zinc/23/28/31/950232831.db2.gz GIJUXIAWWOIFHR-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC1CCCC1 ZINC001574740776 950232848 /nfs/dbraw/zinc/23/28/48/950232848.db2.gz GIJUXIAWWOIFHR-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575587308 950234815 /nfs/dbraw/zinc/23/48/15/950234815.db2.gz NKHVWRNQSXNGAX-XIKOKIGWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575587308 950234833 /nfs/dbraw/zinc/23/48/33/950234833.db2.gz NKHVWRNQSXNGAX-XIKOKIGWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575587301 950235567 /nfs/dbraw/zinc/23/55/67/950235567.db2.gz NKHVWRNQSXNGAX-KPZWWZAWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575587301 950235587 /nfs/dbraw/zinc/23/55/87/950235587.db2.gz NKHVWRNQSXNGAX-KPZWWZAWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1cccnc1 ZINC001574741582 950247484 /nfs/dbraw/zinc/24/74/84/950247484.db2.gz JLANOWBBKZHPFN-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1cccnc1 ZINC001574741582 950247498 /nfs/dbraw/zinc/24/74/98/950247498.db2.gz JLANOWBBKZHPFN-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)c1cnco1 ZINC001576192479 950248597 /nfs/dbraw/zinc/24/85/97/950248597.db2.gz OJDQDQMTQAYTQS-WDEREUQCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)c1cnco1 ZINC001576192479 950248613 /nfs/dbraw/zinc/24/86/13/950248613.db2.gz OJDQDQMTQAYTQS-WDEREUQCSA-N -1 3 384.400 0.711 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573846705 950249246 /nfs/dbraw/zinc/24/92/46/950249246.db2.gz UQMZGMMJBAHZEI-UHFFFAOYSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574741595 950250469 /nfs/dbraw/zinc/25/04/69/950250469.db2.gz JTWMBCGKOLXOIY-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(F)cncc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574741595 950250490 /nfs/dbraw/zinc/25/04/90/950250490.db2.gz JTWMBCGKOLXOIY-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001574497950 950251918 /nfs/dbraw/zinc/25/19/18/950251918.db2.gz GYMRAXXWLMXCIE-SMDDNHRTSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001574497950 950251934 /nfs/dbraw/zinc/25/19/34/950251934.db2.gz GYMRAXXWLMXCIE-SMDDNHRTSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575902279 950253374 /nfs/dbraw/zinc/25/33/74/950253374.db2.gz UGRBPLVFTICBMT-IUCAKERBSA-N -1 3 387.429 0.606 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574741771 950253584 /nfs/dbraw/zinc/25/35/84/950253584.db2.gz CKIWYCHUVTWWCU-CHWSQXEVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574741771 950253601 /nfs/dbraw/zinc/25/36/01/950253601.db2.gz CKIWYCHUVTWWCU-CHWSQXEVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnsn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575902300 950253943 /nfs/dbraw/zinc/25/39/43/950253943.db2.gz ULQLOTLOUJSTLY-RKDXNWHRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnsn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575902300 950253971 /nfs/dbraw/zinc/25/39/71/950253971.db2.gz ULQLOTLOUJSTLY-RKDXNWHRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001574741804 950256110 /nfs/dbraw/zinc/25/61/10/950256110.db2.gz CXQAAWMNUNXNMC-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001574741804 950256118 /nfs/dbraw/zinc/25/61/18/950256118.db2.gz CXQAAWMNUNXNMC-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1ncc(F)cc1F ZINC001574984043 950256453 /nfs/dbraw/zinc/25/64/53/950256453.db2.gz VOIFWFLFMFXXRX-MRVPVSSYSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1ncc(F)cc1F ZINC001574984043 950256464 /nfs/dbraw/zinc/25/64/64/950256464.db2.gz VOIFWFLFMFXXRX-MRVPVSSYSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@@H](CC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574497984 950257665 /nfs/dbraw/zinc/25/76/65/950257665.db2.gz HSUZXUHFJRMGMB-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574497984 950257684 /nfs/dbraw/zinc/25/76/84/950257684.db2.gz HSUZXUHFJRMGMB-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573849748 950259687 /nfs/dbraw/zinc/25/96/87/950259687.db2.gz ABSPVMOSUUBTGF-NSHDSACASA-N -1 3 389.464 0.097 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001575589259 950260682 /nfs/dbraw/zinc/26/06/82/950260682.db2.gz VXAOLRCBWYQPHF-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001575589259 950260700 /nfs/dbraw/zinc/26/07/00/950260700.db2.gz VXAOLRCBWYQPHF-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ncccc1F ZINC001574742053 950261899 /nfs/dbraw/zinc/26/18/99/950261899.db2.gz GUXUOFCZKXTUTP-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ncccc1F ZINC001574742053 950261918 /nfs/dbraw/zinc/26/19/18/950261918.db2.gz GUXUOFCZKXTUTP-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576192720 950263666 /nfs/dbraw/zinc/26/36/66/950263666.db2.gz QGYYKDKIRDLMJH-CHWSQXEVSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576192720 950263684 /nfs/dbraw/zinc/26/36/84/950263684.db2.gz QGYYKDKIRDLMJH-CHWSQXEVSA-N -1 3 382.432 0.450 20 0 GCADHM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)Cc1cncn1C ZINC001574157921 950263928 /nfs/dbraw/zinc/26/39/28/950263928.db2.gz LBQJZJLJTNMVET-GFCCVEGCSA-N -1 3 384.448 0.576 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C[C@H](O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573849877 950265810 /nfs/dbraw/zinc/26/58/10/950265810.db2.gz DTRZFJUHLDMIKH-LSDHHAIUSA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C[C@H](O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573849877 950265828 /nfs/dbraw/zinc/26/58/28/950265828.db2.gz DTRZFJUHLDMIKH-LSDHHAIUSA-N -1 3 375.429 0.943 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cc(Cl)cn1C ZINC001574984345 950267551 /nfs/dbraw/zinc/26/75/51/950267551.db2.gz XNEBJEOIYHISSH-SECBINFHSA-N -1 3 390.835 0.983 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cc(Cl)cn1C ZINC001574984345 950267573 /nfs/dbraw/zinc/26/75/73/950267573.db2.gz XNEBJEOIYHISSH-SECBINFHSA-N -1 3 390.835 0.983 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574742143 950269749 /nfs/dbraw/zinc/26/97/49/950269749.db2.gz MJALJVBGHJTPIU-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574742143 950269772 /nfs/dbraw/zinc/26/97/72/950269772.db2.gz MJALJVBGHJTPIU-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1CCC(O)CC1 ZINC001574742125 950270262 /nfs/dbraw/zinc/27/02/62/950270262.db2.gz LVMZHNPSYWEFGR-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1CCC(O)CC1 ZINC001574742125 950270279 /nfs/dbraw/zinc/27/02/79/950270279.db2.gz LVMZHNPSYWEFGR-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H]1CCN(C(=O)c2cocn2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576192854 950273397 /nfs/dbraw/zinc/27/33/97/950273397.db2.gz PZUKCVNGDNJBSR-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2cocn2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576192854 950273411 /nfs/dbraw/zinc/27/34/11/950273411.db2.gz PZUKCVNGDNJBSR-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM CC1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCC1 ZINC001575592079 950277606 /nfs/dbraw/zinc/27/76/06/950277606.db2.gz BZNDXKHURMOLER-UHFFFAOYSA-N -1 3 389.460 0.716 20 0 GCADHM 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/nfs/dbraw/zinc/37/04/13/950370413.db2.gz RLHGVSYIXJGBLR-YVEFUNNKSA-N -1 3 392.485 0.672 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573855358 950370845 /nfs/dbraw/zinc/37/08/45/950370845.db2.gz RNWKAHPGBZFKSR-ZDUSSCGKSA-N -1 3 388.476 0.550 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574745152 950371472 /nfs/dbraw/zinc/37/14/72/950371472.db2.gz FYMAOPGDMDIIIK-VIFPVBQESA-N -1 3 387.379 0.067 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574745152 950371492 /nfs/dbraw/zinc/37/14/92/950371492.db2.gz FYMAOPGDMDIIIK-VIFPVBQESA-N -1 3 387.379 0.067 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C2CC2)no1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574745026 950371910 /nfs/dbraw/zinc/37/19/10/950371910.db2.gz FFZFRERELCFQNM-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C2CC2)no1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574745026 950371931 /nfs/dbraw/zinc/37/19/31/950371931.db2.gz FFZFRERELCFQNM-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574502372 950375116 /nfs/dbraw/zinc/37/51/16/950375116.db2.gz MMPNDBZWSINQEU-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574502372 950375134 /nfs/dbraw/zinc/37/51/34/950375134.db2.gz MMPNDBZWSINQEU-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001573855391 950375133 /nfs/dbraw/zinc/37/51/33/950375133.db2.gz SMSJESGUXVFRFO-TZMCWYRMSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nc(C2CC2)nn1C ZINC001574990707 950376670 /nfs/dbraw/zinc/37/66/70/950376670.db2.gz FHFSXHKDDYKKPY-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1conc1C1CC1 ZINC001574745173 950376447 /nfs/dbraw/zinc/37/64/47/950376447.db2.gz GJYFATXZCJRSAB-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1conc1C1CC1 ZINC001574745173 950376472 /nfs/dbraw/zinc/37/64/72/950376472.db2.gz GJYFATXZCJRSAB-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nc(C2CC2)nn1C ZINC001574990707 950376693 /nfs/dbraw/zinc/37/66/93/950376693.db2.gz FHFSXHKDDYKKPY-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC001575596516 950377342 /nfs/dbraw/zinc/37/73/42/950377342.db2.gz TUBAGBXBWLQNHF-SJCJKPOMSA-N -1 3 392.485 0.672 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573855474 950379583 /nfs/dbraw/zinc/37/95/83/950379583.db2.gz VAZNFUFHVHYEEY-BETUJISGSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573855474 950379605 /nfs/dbraw/zinc/37/96/05/950379605.db2.gz VAZNFUFHVHYEEY-BETUJISGSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC001575596518 950380388 /nfs/dbraw/zinc/38/03/88/950380388.db2.gz TUBAGBXBWLQNHF-SJKOYZFVSA-N -1 3 392.485 0.672 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001575596731 950383089 /nfs/dbraw/zinc/38/30/89/950383089.db2.gz VIEJLVZAQGZODP-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001575596731 950383108 /nfs/dbraw/zinc/38/31/08/950383108.db2.gz VIEJLVZAQGZODP-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574502633 950383364 /nfs/dbraw/zinc/38/33/64/950383364.db2.gz OWAFLTGCGNOUMD-GFCCVEGCSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574502633 950383384 /nfs/dbraw/zinc/38/33/84/950383384.db2.gz OWAFLTGCGNOUMD-GFCCVEGCSA-N -1 3 382.428 0.836 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574745330 950383810 /nfs/dbraw/zinc/38/38/10/950383810.db2.gz IIMZKHSWOUGIKX-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574745330 950383829 /nfs/dbraw/zinc/38/38/29/950383829.db2.gz IIMZKHSWOUGIKX-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909051 950385188 /nfs/dbraw/zinc/38/51/88/950385188.db2.gz FNUZGHIYQHDLPL-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909051 950385211 /nfs/dbraw/zinc/38/52/11/950385211.db2.gz FNUZGHIYQHDLPL-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574502634 950385259 /nfs/dbraw/zinc/38/52/59/950385259.db2.gz OWAFLTGCGNOUMD-LBPRGKRZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574502634 950385276 /nfs/dbraw/zinc/38/52/76/950385276.db2.gz OWAFLTGCGNOUMD-LBPRGKRZSA-N -1 3 382.428 0.836 20 0 GCADHM CC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573855578 950385521 /nfs/dbraw/zinc/38/55/21/950385521.db2.gz YLWGKPZDDHPEKN-DYEKYZERSA-N -1 3 386.460 0.445 20 0 GCADHM CC(C)(C)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573855578 950385538 /nfs/dbraw/zinc/38/55/38/950385538.db2.gz YLWGKPZDDHPEKN-DYEKYZERSA-N -1 3 386.460 0.445 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F)NC(N)=O ZINC001574502673 950390505 /nfs/dbraw/zinc/39/05/05/950390505.db2.gz PMLVPTGDVKOPNT-MFKMUULPSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F)NC(N)=O ZINC001574502674 950392730 /nfs/dbraw/zinc/39/27/30/950392730.db2.gz PMLVPTGDVKOPNT-ZWNOBZJWSA-N -1 3 390.423 0.143 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573856706 950393741 /nfs/dbraw/zinc/39/37/41/950393741.db2.gz GQNZLGCAOGJWEG-QGZVFWFLSA-N -1 3 391.432 0.951 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573856706 950393766 /nfs/dbraw/zinc/39/37/66/950393766.db2.gz GQNZLGCAOGJWEG-QGZVFWFLSA-N -1 3 391.432 0.951 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001573856768 950393842 /nfs/dbraw/zinc/39/38/42/950393842.db2.gz IBWVDLPAYHRJRO-NXEZZACHSA-N -1 3 380.430 0.638 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC001575596906 950394094 /nfs/dbraw/zinc/39/40/94/950394094.db2.gz WAZCVMQXLLOMSI-APWZRJJASA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001574502852 950394045 /nfs/dbraw/zinc/39/40/45/950394045.db2.gz REMMQNMGWMBLHM-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001574502852 950394073 /nfs/dbraw/zinc/39/40/73/950394073.db2.gz REMMQNMGWMBLHM-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001575596906 950394114 /nfs/dbraw/zinc/39/41/14/950394114.db2.gz WAZCVMQXLLOMSI-APWZRJJASA-N -1 3 386.456 0.610 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001573856759 950395298 /nfs/dbraw/zinc/39/52/98/950395298.db2.gz HXCFJKOHJDDAOH-LBPRGKRZSA-N -1 3 390.400 0.913 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574502887 950396608 /nfs/dbraw/zinc/39/66/08/950396608.db2.gz RNTGFPVWUBMXDF-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574502887 950396633 /nfs/dbraw/zinc/39/66/33/950396633.db2.gz RNTGFPVWUBMXDF-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574503086 950398845 /nfs/dbraw/zinc/39/88/45/950398845.db2.gz SZTNXXOKUGMDIH-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574503086 950398867 /nfs/dbraw/zinc/39/88/67/950398867.db2.gz SZTNXXOKUGMDIH-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574747093 950399730 /nfs/dbraw/zinc/39/97/30/950399730.db2.gz QSAVBRFFNCTKJF-SNVBAGLBSA-N -1 3 386.420 0.279 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574747093 950399750 /nfs/dbraw/zinc/39/97/50/950399750.db2.gz QSAVBRFFNCTKJF-SNVBAGLBSA-N -1 3 386.420 0.279 20 0 GCADHM C[C@H](CC(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001574503074 950399977 /nfs/dbraw/zinc/39/99/77/950399977.db2.gz SXOAZLXLDAFCSM-IZIWTHDTSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@H](CC(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001574503074 950399994 /nfs/dbraw/zinc/39/99/94/950399994.db2.gz SXOAZLXLDAFCSM-IZIWTHDTSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574503072 950400195 /nfs/dbraw/zinc/40/01/95/950400195.db2.gz SXLZIZMGSAZSSI-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574503072 950400217 /nfs/dbraw/zinc/40/02/17/950400217.db2.gz SXLZIZMGSAZSSI-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCOCC(F)(F)F ZINC001574991433 950402240 /nfs/dbraw/zinc/40/22/40/950402240.db2.gz LQIGTCBVZWTUGP-QMMMGPOBSA-N -1 3 389.338 0.398 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCOCC(F)(F)F ZINC001574991433 950402250 /nfs/dbraw/zinc/40/22/50/950402250.db2.gz LQIGTCBVZWTUGP-QMMMGPOBSA-N -1 3 389.338 0.398 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574747152 950403481 /nfs/dbraw/zinc/40/34/81/950403481.db2.gz RODMQDFGIGQHOY-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574747152 950403498 /nfs/dbraw/zinc/40/34/98/950403498.db2.gz RODMQDFGIGQHOY-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574747219 950404359 /nfs/dbraw/zinc/40/43/59/950404359.db2.gz SIFFCULTKUZQEZ-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574747219 950404384 /nfs/dbraw/zinc/40/43/84/950404384.db2.gz SIFFCULTKUZQEZ-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574747149 950406272 /nfs/dbraw/zinc/40/62/72/950406272.db2.gz RMSRNBJKAAOZED-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574747149 950406282 /nfs/dbraw/zinc/40/62/82/950406282.db2.gz RMSRNBJKAAOZED-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ocnc1C1CC1 ZINC001574747485 950408167 /nfs/dbraw/zinc/40/81/67/950408167.db2.gz SVFSNJLWKROLLW-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ocnc1C1CC1 ZINC001574747485 950408198 /nfs/dbraw/zinc/40/81/98/950408198.db2.gz SVFSNJLWKROLLW-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574747515 950408368 /nfs/dbraw/zinc/40/83/68/950408368.db2.gz SZVTUKCGZQQLPR-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574747515 950408384 /nfs/dbraw/zinc/40/83/84/950408384.db2.gz SZVTUKCGZQQLPR-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574991641 950412545 /nfs/dbraw/zinc/41/25/45/950412545.db2.gz QCVVWBONOGGNHD-NWDGAFQWSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574991641 950412562 /nfs/dbraw/zinc/41/25/62/950412562.db2.gz QCVVWBONOGGNHD-NWDGAFQWSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1cc2n(n1)CCCC2 ZINC001574991673 950416405 /nfs/dbraw/zinc/41/64/05/950416405.db2.gz QWWVTQCSGJUJLH-LBPRGKRZSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1cc2n(n1)CCCC2 ZINC001574991673 950416413 /nfs/dbraw/zinc/41/64/13/950416413.db2.gz QWWVTQCSGJUJLH-LBPRGKRZSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574503957 950424730 /nfs/dbraw/zinc/42/47/30/950424730.db2.gz YYOQJRMNLWULKH-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574503957 950424739 /nfs/dbraw/zinc/42/47/39/950424739.db2.gz YYOQJRMNLWULKH-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCC(=O)NC1 ZINC001575599167 950426336 /nfs/dbraw/zinc/42/63/36/950426336.db2.gz FXSGBENSKHFNIR-DIFFPNOSSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCC(=O)NC1 ZINC001575599167 950426347 /nfs/dbraw/zinc/42/63/47/950426347.db2.gz FXSGBENSKHFNIR-DIFFPNOSSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCOC1 ZINC001574750555 950430563 /nfs/dbraw/zinc/43/05/63/950430563.db2.gz CRQSESSOWYGDLW-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCOC1 ZINC001574750555 950430576 /nfs/dbraw/zinc/43/05/76/950430576.db2.gz CRQSESSOWYGDLW-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)Oc1ccccc1 ZINC001574992079 950431869 /nfs/dbraw/zinc/43/18/69/950431869.db2.gz WUSDOCZLXKPROU-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)Oc1ccccc1 ZINC001574992079 950431887 /nfs/dbraw/zinc/43/18/87/950431887.db2.gz WUSDOCZLXKPROU-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574506409 950433124 /nfs/dbraw/zinc/43/31/24/950433124.db2.gz CPCWZOKJPQNIHU-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574506409 950433133 /nfs/dbraw/zinc/43/31/33/950433133.db2.gz CPCWZOKJPQNIHU-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574506360 950433726 /nfs/dbraw/zinc/43/37/26/950433726.db2.gz BWOILUZOUDPBPB-QXEWZRGKSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574506360 950433738 /nfs/dbraw/zinc/43/37/38/950433738.db2.gz BWOILUZOUDPBPB-QXEWZRGKSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574506356 950433827 /nfs/dbraw/zinc/43/38/27/950433827.db2.gz BWOILUZOUDPBPB-FXPVBKGRSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574506356 950433844 /nfs/dbraw/zinc/43/38/44/950433844.db2.gz BWOILUZOUDPBPB-FXPVBKGRSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574992204 950437405 /nfs/dbraw/zinc/43/74/05/950437405.db2.gz YUOXNQBFHMVGDY-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574992204 950437425 /nfs/dbraw/zinc/43/74/25/950437425.db2.gz YUOXNQBFHMVGDY-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574750722 950438459 /nfs/dbraw/zinc/43/84/59/950438459.db2.gz GOIQLRCGRJDNLQ-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574750722 950438472 /nfs/dbraw/zinc/43/84/72/950438472.db2.gz GOIQLRCGRJDNLQ-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911225 950441599 /nfs/dbraw/zinc/44/15/99/950441599.db2.gz NVSXTPQGTFNEMZ-JSGCOSHPSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911225 950441610 /nfs/dbraw/zinc/44/16/10/950441610.db2.gz NVSXTPQGTFNEMZ-JSGCOSHPSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@@H](CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574506721 950442050 /nfs/dbraw/zinc/44/20/50/950442050.db2.gz BZUADBSIMRYSLQ-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574506721 950442059 /nfs/dbraw/zinc/44/20/59/950442059.db2.gz BZUADBSIMRYSLQ-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)CC1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574165489 950444703 /nfs/dbraw/zinc/44/47/03/950444703.db2.gz DYZNSGZCSOEYHX-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)CC1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574165489 950444719 /nfs/dbraw/zinc/44/47/19/950444719.db2.gz DYZNSGZCSOEYHX-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC1CCN(CC(=O)N[C@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001576203272 950444872 /nfs/dbraw/zinc/44/48/72/950444872.db2.gz GDZHHTJVTQXYBR-GOSISDBHSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574506818 950445377 /nfs/dbraw/zinc/44/53/77/950445377.db2.gz GKQUFDJGHHLVTD-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574506818 950445393 /nfs/dbraw/zinc/44/53/93/950445393.db2.gz GKQUFDJGHHLVTD-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CC1 ZINC001574165341 950445633 /nfs/dbraw/zinc/44/56/33/950445633.db2.gz DFTSDGCQXCDDLX-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CC1 ZINC001574165341 950445646 /nfs/dbraw/zinc/44/56/46/950445646.db2.gz DFTSDGCQXCDDLX-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574507093 950446394 /nfs/dbraw/zinc/44/63/94/950446394.db2.gz CHTGOLUSQKMGAN-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574507093 950446408 /nfs/dbraw/zinc/44/64/08/950446408.db2.gz CHTGOLUSQKMGAN-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c(C2CC2)cnn1C ZINC001574992379 950446430 /nfs/dbraw/zinc/44/64/30/950446430.db2.gz BBWSIAZBQLXBGK-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c(C2CC2)cnn1C ZINC001574992379 950446450 /nfs/dbraw/zinc/44/64/50/950446450.db2.gz BBWSIAZBQLXBGK-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574506853 950447124 /nfs/dbraw/zinc/44/71/24/950447124.db2.gz HGJAUCOXWLTAID-MXWKQRLJSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574506853 950447130 /nfs/dbraw/zinc/44/71/30/950447130.db2.gz HGJAUCOXWLTAID-MXWKQRLJSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001574992493 950452109 /nfs/dbraw/zinc/45/21/09/950452109.db2.gz DPRHYINMGQZQML-SECBINFHSA-N -1 3 384.400 0.144 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001574992493 950452117 /nfs/dbraw/zinc/45/21/17/950452117.db2.gz DPRHYINMGQZQML-SECBINFHSA-N -1 3 384.400 0.144 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574507465 950453840 /nfs/dbraw/zinc/45/38/40/950453840.db2.gz JFSNLCGRQVEWNO-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574507465 950453854 /nfs/dbraw/zinc/45/38/54/950453854.db2.gz JFSNLCGRQVEWNO-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574507448 950456114 /nfs/dbraw/zinc/45/61/14/950456114.db2.gz JDYCZXTUYKLJKH-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574507448 950456129 /nfs/dbraw/zinc/45/61/29/950456129.db2.gz JDYCZXTUYKLJKH-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574165850 950456217 /nfs/dbraw/zinc/45/62/17/950456217.db2.gz KLLUVQQWHXNVCA-ZDUSSCGKSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574165850 950456226 /nfs/dbraw/zinc/45/62/26/950456226.db2.gz KLLUVQQWHXNVCA-ZDUSSCGKSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn2c1CCCC2 ZINC001574993094 950457279 /nfs/dbraw/zinc/45/72/79/950457279.db2.gz IUMOTPQYUVZVPN-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn2c1CCCC2 ZINC001574993094 950457295 /nfs/dbraw/zinc/45/72/95/950457295.db2.gz IUMOTPQYUVZVPN-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCCCO1 ZINC001574751283 950457838 /nfs/dbraw/zinc/45/78/38/950457838.db2.gz MSQDAROKOZOGLD-VXGBXAGGSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCCCO1 ZINC001574751283 950457847 /nfs/dbraw/zinc/45/78/47/950457847.db2.gz MSQDAROKOZOGLD-VXGBXAGGSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H]1[C@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575912144 950461146 /nfs/dbraw/zinc/46/11/46/950461146.db2.gz QACJSQCGSXOLQZ-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575912144 950461153 /nfs/dbraw/zinc/46/11/53/950461153.db2.gz QACJSQCGSXOLQZ-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccn(C)n1 ZINC001574751481 950461288 /nfs/dbraw/zinc/46/12/88/950461288.db2.gz OGFSIZWVHBSGKU-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccn(C)n1 ZINC001574751481 950461294 /nfs/dbraw/zinc/46/12/94/950461294.db2.gz OGFSIZWVHBSGKU-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574993529 950463788 /nfs/dbraw/zinc/46/37/88/950463788.db2.gz KUJFUIYVMLOKTC-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574993529 950463804 /nfs/dbraw/zinc/46/38/04/950463804.db2.gz KUJFUIYVMLOKTC-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574751687 950465667 /nfs/dbraw/zinc/46/56/67/950465667.db2.gz QNWOLISNMFUICV-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574751687 950465677 /nfs/dbraw/zinc/46/56/77/950465677.db2.gz QNWOLISNMFUICV-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575912236 950466391 /nfs/dbraw/zinc/46/63/91/950466391.db2.gz QYFKMGQVQMTTCT-BXUZGUMPSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575912236 950466400 /nfs/dbraw/zinc/46/64/00/950466400.db2.gz QYFKMGQVQMTTCT-BXUZGUMPSA-N -1 3 382.432 0.424 20 0 GCADHM CC1CCN(CC(=O)NC[C@@H]2CCCN2c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001576204679 950467737 /nfs/dbraw/zinc/46/77/37/950467737.db2.gz ACNIFPVBXFXNFZ-AWEZNQCLSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574751951 950470183 /nfs/dbraw/zinc/47/01/83/950470183.db2.gz RYVOARXMVOCOIR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574751951 950470192 /nfs/dbraw/zinc/47/01/92/950470192.db2.gz RYVOARXMVOCOIR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574166712 950471135 /nfs/dbraw/zinc/47/11/35/950471135.db2.gz WGSFYVHSGQMMBY-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574166712 950471143 /nfs/dbraw/zinc/47/11/43/950471143.db2.gz WGSFYVHSGQMMBY-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575605605 950471925 /nfs/dbraw/zinc/47/19/25/950471925.db2.gz QCLOCZQNCBEPPU-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575605605 950471940 /nfs/dbraw/zinc/47/19/40/950471940.db2.gz QCLOCZQNCBEPPU-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574752123 950472642 /nfs/dbraw/zinc/47/26/42/950472642.db2.gz TWWVOYHHVPFTBI-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574752123 950472655 /nfs/dbraw/zinc/47/26/55/950472655.db2.gz TWWVOYHHVPFTBI-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574752161 950473836 /nfs/dbraw/zinc/47/38/36/950473836.db2.gz USVIJGJEORROTB-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCCO2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574752161 950473856 /nfs/dbraw/zinc/47/38/56/950473856.db2.gz USVIJGJEORROTB-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575605737 950477137 /nfs/dbraw/zinc/47/71/37/950477137.db2.gz RFLWIETXGPEUFN-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575605737 950477162 /nfs/dbraw/zinc/47/71/62/950477162.db2.gz RFLWIETXGPEUFN-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccnc1N(C)C ZINC001574994464 950479999 /nfs/dbraw/zinc/47/99/99/950479999.db2.gz RNQZULSPFNHOBH-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccnc1N(C)C ZINC001574994464 950480014 /nfs/dbraw/zinc/48/00/14/950480014.db2.gz RNQZULSPFNHOBH-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1nc2c(s1)CCC2 ZINC001574994357 950481518 /nfs/dbraw/zinc/48/15/18/950481518.db2.gz QKLMNGWCVFHVKW-MRVPVSSYSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1nc2c(s1)CCC2 ZINC001574994357 950481533 /nfs/dbraw/zinc/48/15/33/950481533.db2.gz QKLMNGWCVFHVKW-MRVPVSSYSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ncccc1-c1nnn[n-]1 ZINC001574752351 950481934 /nfs/dbraw/zinc/48/19/34/950481934.db2.gz BIGAZSBYKBSSAA-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ncccc1-c1nn[n-]n1 ZINC001574752351 950481951 /nfs/dbraw/zinc/48/19/51/950481951.db2.gz BIGAZSBYKBSSAA-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575913840 950486403 /nfs/dbraw/zinc/48/64/03/950486403.db2.gz JULOIQBDDSLCNT-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575913840 950486418 /nfs/dbraw/zinc/48/64/18/950486418.db2.gz JULOIQBDDSLCNT-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](CC(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CC1 ZINC001574508730 950487716 /nfs/dbraw/zinc/48/77/16/950487716.db2.gz NDRVMMZZWDPQKI-CQSZACIVSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@H](CC(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CC1 ZINC001574508730 950487732 /nfs/dbraw/zinc/48/77/32/950487732.db2.gz NDRVMMZZWDPQKI-CQSZACIVSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575913856 950488662 /nfs/dbraw/zinc/48/86/62/950488662.db2.gz ULJBZPCITRLRQK-NXEZZACHSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575913856 950488679 /nfs/dbraw/zinc/48/86/79/950488679.db2.gz ULJBZPCITRLRQK-NXEZZACHSA-N -1 3 386.420 0.037 20 0 GCADHM CC(C)(C)OCC(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573864031 950491677 /nfs/dbraw/zinc/49/16/77/950491677.db2.gz WWURZRSYPOPQIZ-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573864031 950491692 /nfs/dbraw/zinc/49/16/92/950491692.db2.gz WWURZRSYPOPQIZ-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)[C@@H](CCNC(=O)C[C@@H](C)NC(N)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574509065 950494891 /nfs/dbraw/zinc/49/48/91/950494891.db2.gz OUHLAGZOPHWCIR-DGCLKSJQSA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)[C@@H](CCNC(=O)C[C@@H](C)NC(N)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574509065 950494903 /nfs/dbraw/zinc/49/49/03/950494903.db2.gz OUHLAGZOPHWCIR-DGCLKSJQSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001574752726 950495572 /nfs/dbraw/zinc/49/55/72/950495572.db2.gz ZMOKSGPFOPRUAA-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001574752726 950495584 /nfs/dbraw/zinc/49/55/84/950495584.db2.gz ZMOKSGPFOPRUAA-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCCS1(=O)=O ZINC001575606696 950500382 /nfs/dbraw/zinc/50/03/82/950500382.db2.gz CSGWERWRGSIETQ-BFQNTYOBSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCCS1(=O)=O ZINC001575606696 950500393 /nfs/dbraw/zinc/50/03/93/950500393.db2.gz CSGWERWRGSIETQ-BFQNTYOBSA-N -1 3 391.457 0.288 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575607072 950501888 /nfs/dbraw/zinc/50/18/88/950501888.db2.gz GSSHLMHSBXHKSB-AULYBMBSSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575607072 950501918 /nfs/dbraw/zinc/50/19/18/950501918.db2.gz GSSHLMHSBXHKSB-AULYBMBSSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573866890 950513785 /nfs/dbraw/zinc/51/37/85/950513785.db2.gz NDYOLOIEUJUYMO-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573866890 950513803 /nfs/dbraw/zinc/51/38/03/950513803.db2.gz NDYOLOIEUJUYMO-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574753279 950519921 /nfs/dbraw/zinc/51/99/21/950519921.db2.gz DUTDNMPMQOLOMS-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM CC1CCN(CC(=O)NC2CC(CNc3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576205519 950523014 /nfs/dbraw/zinc/52/30/14/950523014.db2.gz ZMHKGWJHXIOMPU-UHFFFAOYSA-N -1 3 385.476 0.117 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573867125 950523377 /nfs/dbraw/zinc/52/33/77/950523377.db2.gz PWJGEVNJLOPMOO-SFHVURJKSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573867125 950523394 /nfs/dbraw/zinc/52/33/94/950523394.db2.gz PWJGEVNJLOPMOO-SFHVURJKSA-N -1 3 389.460 0.842 20 0 GCADHM C[C@H]1CCN(CC(=O)N[C@@](C)(CNc2ccnc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576205498 950525299 /nfs/dbraw/zinc/52/52/99/950525299.db2.gz ZERAYMIEJTYUJL-SGTLLEGYSA-N -1 3 385.476 0.117 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)C(=O)NCC(F)F ZINC001575915834 950526222 /nfs/dbraw/zinc/52/62/22/950526222.db2.gz XJBBCZHOKIBTIX-SCZZXKLOSA-N -1 3 380.359 0.044 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)C(=O)NCC(F)F ZINC001575915834 950526236 /nfs/dbraw/zinc/52/62/36/950526236.db2.gz XJBBCZHOKIBTIX-SCZZXKLOSA-N -1 3 380.359 0.044 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573867272 950528914 /nfs/dbraw/zinc/52/89/14/950528914.db2.gz SSZPIVVUIOPHDR-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573867272 950528935 /nfs/dbraw/zinc/52/89/35/950528935.db2.gz SSZPIVVUIOPHDR-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574753687 950534449 /nfs/dbraw/zinc/53/44/49/950534449.db2.gz QGDBAKKHBPILRF-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574753687 950534471 /nfs/dbraw/zinc/53/44/71/950534471.db2.gz QGDBAKKHBPILRF-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573867373 950534751 /nfs/dbraw/zinc/53/47/51/950534751.db2.gz XRJPKBKFGXXZSV-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573867373 950534764 /nfs/dbraw/zinc/53/47/64/950534764.db2.gz XRJPKBKFGXXZSV-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573868216 950537412 /nfs/dbraw/zinc/53/74/12/950537412.db2.gz AKHWCHLNXAXOHR-GOSISDBHSA-N -1 3 389.460 0.524 20 0 GCADHM CC(C)(C)OCC(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573868216 950537426 /nfs/dbraw/zinc/53/74/26/950537426.db2.gz AKHWCHLNXAXOHR-GOSISDBHSA-N -1 3 389.460 0.524 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573868207 950538994 /nfs/dbraw/zinc/53/89/94/950538994.db2.gz AILRUIMUTGCEAR-SMDDNHRTSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573868207 950539013 /nfs/dbraw/zinc/53/90/13/950539013.db2.gz AILRUIMUTGCEAR-SMDDNHRTSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574753791 950540943 /nfs/dbraw/zinc/54/09/43/950540943.db2.gz SGZTUAQGBPEZKB-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574753791 950540961 /nfs/dbraw/zinc/54/09/61/950540961.db2.gz SGZTUAQGBPEZKB-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)CCCOC1 ZINC001575614611 950542551 /nfs/dbraw/zinc/54/25/51/950542551.db2.gz JZXRICJOANPWJZ-BKTMZONDSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)CCCOC1 ZINC001575614611 950542568 /nfs/dbraw/zinc/54/25/68/950542568.db2.gz JZXRICJOANPWJZ-BKTMZONDSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)C(F)(F)F ZINC001574510871 950546146 /nfs/dbraw/zinc/54/61/46/950546146.db2.gz CGVHMNXWAFPHMQ-JMJZKYOTSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)C(F)(F)F ZINC001574510871 950546157 /nfs/dbraw/zinc/54/61/57/950546157.db2.gz CGVHMNXWAFPHMQ-JMJZKYOTSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H](CNC(=O)c1cc(Br)n[nH]1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574997310 950546532 /nfs/dbraw/zinc/54/65/32/950546532.db2.gz SXNGJKHVQQDZGK-SSDOTTSWSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@H](CNC(=O)c1cc(Br)n[nH]1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574997310 950546559 /nfs/dbraw/zinc/54/65/59/950546559.db2.gz SXNGJKHVQQDZGK-SSDOTTSWSA-N -1 3 392.221 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573868995 950550681 /nfs/dbraw/zinc/55/06/81/950550681.db2.gz IUIHGPNSNWTDNE-SWHYSGLUSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573868995 950550697 /nfs/dbraw/zinc/55/06/97/950550697.db2.gz IUIHGPNSNWTDNE-SWHYSGLUSA-N -1 3 387.444 0.872 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575916786 950550919 /nfs/dbraw/zinc/55/09/19/950550919.db2.gz RYIPTDSFDSIPCP-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575916786 950550937 /nfs/dbraw/zinc/55/09/37/950550937.db2.gz RYIPTDSFDSIPCP-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)C[C@H]1C)n1ccnc1 ZINC001574510910 950551597 /nfs/dbraw/zinc/55/15/97/950551597.db2.gz DMLVAJYLNZJKLR-MBNYWOFBSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[n-]n3)cn2)C[C@H]1C)n1ccnc1 ZINC001574510910 950551616 /nfs/dbraw/zinc/55/16/16/950551616.db2.gz DMLVAJYLNZJKLR-MBNYWOFBSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C1CC1 ZINC001574510906 950551729 /nfs/dbraw/zinc/55/17/29/950551729.db2.gz DIXVMDJEBJNMBE-FZZIBODNSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C1CC1 ZINC001574510906 950551747 /nfs/dbraw/zinc/55/17/47/950551747.db2.gz DIXVMDJEBJNMBE-FZZIBODNSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574753973 950552715 /nfs/dbraw/zinc/55/27/15/950552715.db2.gz IWCMJKZYTGAKPC-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574753973 950552733 /nfs/dbraw/zinc/55/27/33/950552733.db2.gz IWCMJKZYTGAKPC-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001574171177 950553523 /nfs/dbraw/zinc/55/35/23/950553523.db2.gz OWZRAXZHRKYTRD-GXTWGEPZSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001574171177 950553544 /nfs/dbraw/zinc/55/35/44/950553544.db2.gz OWZRAXZHRKYTRD-GXTWGEPZSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574997755 950554620 /nfs/dbraw/zinc/55/46/20/950554620.db2.gz YBVMSLNZPREXBI-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574997755 950554640 /nfs/dbraw/zinc/55/46/40/950554640.db2.gz YBVMSLNZPREXBI-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001574171179 950555149 /nfs/dbraw/zinc/55/51/49/950555149.db2.gz OWZRAXZHRKYTRD-OCCSQVGLSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001574171179 950555166 /nfs/dbraw/zinc/55/51/66/950555166.db2.gz OWZRAXZHRKYTRD-OCCSQVGLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@]1(C(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)CCCS1(=O)=O ZINC001575614827 950557774 /nfs/dbraw/zinc/55/77/74/950557774.db2.gz RFYNKXFLESVTCN-HNNXBMFYSA-N -1 3 388.413 0.353 20 0 GCADHM C[C@@]1(C(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)CCCS1(=O)=O ZINC001575614827 950557789 /nfs/dbraw/zinc/55/77/89/950557789.db2.gz RFYNKXFLESVTCN-HNNXBMFYSA-N -1 3 388.413 0.353 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1ccco1 ZINC001574511211 950557801 /nfs/dbraw/zinc/55/78/01/950557801.db2.gz HZOIVQRVGLCRPK-NILFDRSVSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1ccco1 ZINC001574511211 950557823 /nfs/dbraw/zinc/55/78/23/950557823.db2.gz HZOIVQRVGLCRPK-NILFDRSVSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1ccco1 ZINC001574511379 950561105 /nfs/dbraw/zinc/56/11/05/950561105.db2.gz JFPFIUCWZJMFSV-MRVWCRGKSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1ccco1 ZINC001574511379 950561121 /nfs/dbraw/zinc/56/11/21/950561121.db2.gz JFPFIUCWZJMFSV-MRVWCRGKSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574511551 950561663 /nfs/dbraw/zinc/56/16/63/950561663.db2.gz LPZHEUYHTULTTP-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574511551 950561672 /nfs/dbraw/zinc/56/16/72/950561672.db2.gz LPZHEUYHTULTTP-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574998850 950563051 /nfs/dbraw/zinc/56/30/51/950563051.db2.gz BMICBSNPVQHAKA-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574998850 950563065 /nfs/dbraw/zinc/56/30/65/950563065.db2.gz BMICBSNPVQHAKA-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C1 ZINC001573869416 950566991 /nfs/dbraw/zinc/56/69/91/950566991.db2.gz PJTKSJJSWWYFFO-TXEJJXNPSA-N -1 3 387.444 0.540 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C1 ZINC001573869416 950567010 /nfs/dbraw/zinc/56/70/10/950567010.db2.gz PJTKSJJSWWYFFO-TXEJJXNPSA-N -1 3 387.444 0.540 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574999028 950567239 /nfs/dbraw/zinc/56/72/39/950567239.db2.gz DITTVCQQAXZZBW-MRVPVSSYSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574999028 950567254 /nfs/dbraw/zinc/56/72/54/950567254.db2.gz DITTVCQQAXZZBW-MRVPVSSYSA-N -1 3 376.808 0.735 20 0 GCADHM CC1CCN(CC(=O)NC[C@H](Nc2nccnc2-c2nnn[n-]2)C2CC2)CC1 ZINC001576206151 950568194 /nfs/dbraw/zinc/56/81/94/950568194.db2.gz VJUAJRLHTNHXAH-AWEZNQCLSA-N -1 3 385.476 0.695 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574754390 950569751 /nfs/dbraw/zinc/56/97/51/950569751.db2.gz KRDJYYXYQAVCQQ-JTQLQIEISA-N -1 3 385.432 0.932 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574754390 950569763 /nfs/dbraw/zinc/56/97/63/950569763.db2.gz KRDJYYXYQAVCQQ-JTQLQIEISA-N -1 3 385.432 0.932 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574171989 950571497 /nfs/dbraw/zinc/57/14/97/950571497.db2.gz XJZMKXGYKTXCGA-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574171989 950571514 /nfs/dbraw/zinc/57/15/14/950571514.db2.gz XJZMKXGYKTXCGA-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)N1CCC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574171914 950572738 /nfs/dbraw/zinc/57/27/38/950572738.db2.gz WOACVHUIICQIBI-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N1CCC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574171914 950572755 /nfs/dbraw/zinc/57/27/55/950572755.db2.gz WOACVHUIICQIBI-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)n1cccc1 ZINC001574511742 950572909 /nfs/dbraw/zinc/57/29/09/950572909.db2.gz SRDPMABKBSCACY-BPLDGKMQSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)n1cccc1 ZINC001574511742 950572923 /nfs/dbraw/zinc/57/29/23/950572923.db2.gz SRDPMABKBSCACY-BPLDGKMQSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574511768 950573559 /nfs/dbraw/zinc/57/35/59/950573559.db2.gz TXQLQHAEAUTRDG-CYZMBNFOSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574511768 950573579 /nfs/dbraw/zinc/57/35/79/950573579.db2.gz TXQLQHAEAUTRDG-CYZMBNFOSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575917484 950575423 /nfs/dbraw/zinc/57/54/23/950575423.db2.gz YHNALERCLTWFHY-ONGXEEELSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575917484 950575440 /nfs/dbraw/zinc/57/54/40/950575440.db2.gz YHNALERCLTWFHY-ONGXEEELSA-N -1 3 381.400 0.404 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575615785 950577086 /nfs/dbraw/zinc/57/70/86/950577086.db2.gz HJCCLVRVPJIJRQ-NSHDSACASA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575615785 950577103 /nfs/dbraw/zinc/57/71/03/950577103.db2.gz HJCCLVRVPJIJRQ-NSHDSACASA-N -1 3 389.460 0.474 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)C(F)(F)F ZINC001574511965 950579294 /nfs/dbraw/zinc/57/92/94/950579294.db2.gz YBIKCSDFZJZGGN-FXAINCCUSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)C(F)(F)F ZINC001574511965 950579311 /nfs/dbraw/zinc/57/93/11/950579311.db2.gz YBIKCSDFZJZGGN-FXAINCCUSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917601 950586792 /nfs/dbraw/zinc/58/67/92/950586792.db2.gz ZWMKVGWTHKHIGF-AAEUAGOBSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917601 950586811 /nfs/dbraw/zinc/58/68/11/950586811.db2.gz ZWMKVGWTHKHIGF-AAEUAGOBSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nnsc1Cl ZINC001574754834 950587759 /nfs/dbraw/zinc/58/77/59/950587759.db2.gz REEPCQXIONEHSB-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnsc1Cl ZINC001574754834 950587776 /nfs/dbraw/zinc/58/77/76/950587776.db2.gz REEPCQXIONEHSB-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574512009 950588246 /nfs/dbraw/zinc/58/82/46/950588246.db2.gz ZPJXIOSPBUSTQB-TZMCWYRMSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574512009 950588267 /nfs/dbraw/zinc/58/82/67/950588267.db2.gz ZPJXIOSPBUSTQB-TZMCWYRMSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574999761 950590353 /nfs/dbraw/zinc/59/03/53/950590353.db2.gz NAFNLTGQOLLAML-SECBINFHSA-N -1 3 386.391 0.688 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574999761 950590370 /nfs/dbraw/zinc/59/03/70/950590370.db2.gz NAFNLTGQOLLAML-SECBINFHSA-N -1 3 386.391 0.688 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573870419 950591392 /nfs/dbraw/zinc/59/13/92/950591392.db2.gz VZFKDNIHXQRRFO-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573870419 950591410 /nfs/dbraw/zinc/59/14/10/950591410.db2.gz VZFKDNIHXQRRFO-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnoc1C1CC1 ZINC001574755193 950592994 /nfs/dbraw/zinc/59/29/94/950592994.db2.gz SQWQBEFWEIYNTD-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnoc1C1CC1 ZINC001574755193 950593015 /nfs/dbraw/zinc/59/30/15/950593015.db2.gz SQWQBEFWEIYNTD-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)N[C@H](C)c1nnnn1C1CC1 ZINC001574755764 950596343 /nfs/dbraw/zinc/59/63/43/950596343.db2.gz VMWSONXULDDQIK-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574173621 950597336 /nfs/dbraw/zinc/59/73/36/950597336.db2.gz KFYLKZCBODBCMP-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574173621 950597349 /nfs/dbraw/zinc/59/73/49/950597349.db2.gz KFYLKZCBODBCMP-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)C1(C)C ZINC001575617305 950598917 /nfs/dbraw/zinc/59/89/17/950598917.db2.gz ZZGJRHKEYVBMJC-VXGBXAGGSA-N -1 3 387.444 0.179 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)C1(C)C ZINC001575617305 950598936 /nfs/dbraw/zinc/59/89/36/950598936.db2.gz ZZGJRHKEYVBMJC-VXGBXAGGSA-N -1 3 387.444 0.179 20 0 GCADHM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575000183 950599905 /nfs/dbraw/zinc/59/99/05/950599905.db2.gz BHWRROBRNZEXKA-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575000183 950599923 /nfs/dbraw/zinc/59/99/23/950599923.db2.gz BHWRROBRNZEXKA-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574755835 950601296 /nfs/dbraw/zinc/60/12/96/950601296.db2.gz XBZWLJJGEKLFCM-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574755835 950601310 /nfs/dbraw/zinc/60/13/10/950601310.db2.gz XBZWLJJGEKLFCM-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)n1ccnc1 ZINC001574513207 950602132 /nfs/dbraw/zinc/60/21/32/950602132.db2.gz JPRPRQFUOVNJQL-XQQFMLRXSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)n1ccnc1 ZINC001574513207 950602143 /nfs/dbraw/zinc/60/21/43/950602143.db2.gz JPRPRQFUOVNJQL-XQQFMLRXSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nnn(C(C)(C)C)n1 ZINC001574756308 950602910 /nfs/dbraw/zinc/60/29/10/950602910.db2.gz YRKHFVTZFVEJHX-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnn(C(C)(C)C)n1 ZINC001574756308 950602920 /nfs/dbraw/zinc/60/29/20/950602920.db2.gz YRKHFVTZFVEJHX-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM CC1(C)C(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1(C)C ZINC001575617942 950604254 /nfs/dbraw/zinc/60/42/54/950604254.db2.gz DWMDOKWAVSJEJW-VXGBXAGGSA-N -1 3 387.444 0.179 20 0 GCADHM CC1(C)C(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1(C)C ZINC001575617942 950604260 /nfs/dbraw/zinc/60/42/60/950604260.db2.gz DWMDOKWAVSJEJW-VXGBXAGGSA-N -1 3 387.444 0.179 20 0 GCADHM C[C@H]1[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CN1CCOCC1 ZINC001575919041 950606557 /nfs/dbraw/zinc/60/65/57/950606557.db2.gz FPHAVTKTORQIST-JSGCOSHPSA-N -1 3 389.435 0.739 20 0 GCADHM C[C@H]1[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CN1CCOCC1 ZINC001575919041 950606566 /nfs/dbraw/zinc/60/65/66/950606566.db2.gz FPHAVTKTORQIST-JSGCOSHPSA-N -1 3 389.435 0.739 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575000493 950606906 /nfs/dbraw/zinc/60/69/06/950606906.db2.gz PZRWKNLDSKTLSS-VIFPVBQESA-N -1 3 386.441 0.677 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575000493 950606915 /nfs/dbraw/zinc/60/69/15/950606915.db2.gz PZRWKNLDSKTLSS-VIFPVBQESA-N -1 3 386.441 0.677 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ncccc1-c1nnn[n-]1 ZINC001575000619 950608492 /nfs/dbraw/zinc/60/84/92/950608492.db2.gz QUPPFNOFMABSNZ-VIFPVBQESA-N -1 3 386.441 0.900 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ncccc1-c1nn[n-]n1 ZINC001575000619 950608507 /nfs/dbraw/zinc/60/85/07/950608507.db2.gz QUPPFNOFMABSNZ-VIFPVBQESA-N -1 3 386.441 0.900 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573871024 950608588 /nfs/dbraw/zinc/60/85/88/950608588.db2.gz LVLCYQXLQGNKAR-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573871024 950608604 /nfs/dbraw/zinc/60/86/04/950608604.db2.gz LVLCYQXLQGNKAR-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573871077 950608694 /nfs/dbraw/zinc/60/86/94/950608694.db2.gz MXYJSTALONNQKI-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573871077 950608706 /nfs/dbraw/zinc/60/87/06/950608706.db2.gz MXYJSTALONNQKI-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574173970 950612473 /nfs/dbraw/zinc/61/24/73/950612473.db2.gz PGEBLDPGCWUQCR-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574173970 950612486 /nfs/dbraw/zinc/61/24/86/950612486.db2.gz PGEBLDPGCWUQCR-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575000819 950614873 /nfs/dbraw/zinc/61/48/73/950614873.db2.gz GCHNRWAXSNLIQI-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575000819 950614890 /nfs/dbraw/zinc/61/48/90/950614890.db2.gz GCHNRWAXSNLIQI-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@H]1[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CCn1cnnn1 ZINC001575919648 950618323 /nfs/dbraw/zinc/61/83/23/950618323.db2.gz JLRHDQQIEQIQGV-CMPLNLGQSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@H]1[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CCn1cnnn1 ZINC001575919648 950618337 /nfs/dbraw/zinc/61/83/37/950618337.db2.gz JLRHDQQIEQIQGV-CMPLNLGQSA-N -1 3 386.395 0.484 20 0 GCADHM CC(C)(C)OCC(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573871553 950619409 /nfs/dbraw/zinc/61/94/09/950619409.db2.gz RSXAIIGLARTPFV-UHFFFAOYSA-N -1 3 388.476 0.315 20 0 GCADHM CC(C)(C)OCC(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573871553 950619428 /nfs/dbraw/zinc/61/94/28/950619428.db2.gz RSXAIIGLARTPFV-UHFFFAOYSA-N -1 3 388.476 0.315 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc2cn[nH]c21)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574758949 950620801 /nfs/dbraw/zinc/62/08/01/950620801.db2.gz IGJSPWGUOGYEBM-SNVBAGLBSA-N -1 3 378.400 0.528 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc2c[nH]nc21)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574758949 950620808 /nfs/dbraw/zinc/62/08/08/950620808.db2.gz IGJSPWGUOGYEBM-SNVBAGLBSA-N -1 3 378.400 0.528 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc2cn[nH]c21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758949 950620815 /nfs/dbraw/zinc/62/08/15/950620815.db2.gz IGJSPWGUOGYEBM-SNVBAGLBSA-N -1 3 378.400 0.528 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc2c[nH]nc21)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574758949 950620823 /nfs/dbraw/zinc/62/08/23/950620823.db2.gz IGJSPWGUOGYEBM-SNVBAGLBSA-N -1 3 378.400 0.528 20 0 GCADHM C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576208965 950621421 /nfs/dbraw/zinc/62/14/21/950621421.db2.gz WJLCKFWSFLSEOG-MGPQQGTHSA-N -1 3 385.476 0.260 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574174154 950623442 /nfs/dbraw/zinc/62/34/42/950623442.db2.gz QQUHZEVYGOAJON-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574174154 950623462 /nfs/dbraw/zinc/62/34/62/950623462.db2.gz QQUHZEVYGOAJON-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575001139 950624115 /nfs/dbraw/zinc/62/41/15/950624115.db2.gz UDXGWQJGRNSMMY-LLVKDONJSA-N -1 3 385.432 0.566 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575001139 950624129 /nfs/dbraw/zinc/62/41/29/950624129.db2.gz UDXGWQJGRNSMMY-LLVKDONJSA-N -1 3 385.432 0.566 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573871745 950627188 /nfs/dbraw/zinc/62/71/88/950627188.db2.gz VEORFZOCQHAAEM-CYBMUJFWSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573871745 950627204 /nfs/dbraw/zinc/62/72/04/950627204.db2.gz VEORFZOCQHAAEM-CYBMUJFWSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573871746 950629104 /nfs/dbraw/zinc/62/91/04/950629104.db2.gz VEORFZOCQHAAEM-ZDUSSCGKSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573871746 950629113 /nfs/dbraw/zinc/62/91/13/950629113.db2.gz VEORFZOCQHAAEM-ZDUSSCGKSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001573872036 950633217 /nfs/dbraw/zinc/63/32/17/950633217.db2.gz YNKQPXRNBYCVCY-SFHVURJKSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001573872036 950633233 /nfs/dbraw/zinc/63/32/33/950633233.db2.gz YNKQPXRNBYCVCY-SFHVURJKSA-N -1 3 389.460 0.788 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)[C@H](C(N)=O)C1 ZINC001576213519 950633760 /nfs/dbraw/zinc/63/37/60/950633760.db2.gz BNBNXOYCQIPLCJ-WPRPVWTQSA-N -1 3 384.849 0.795 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)[C@H](C(N)=O)C1 ZINC001576213519 950633770 /nfs/dbraw/zinc/63/37/70/950633770.db2.gz BNBNXOYCQIPLCJ-WPRPVWTQSA-N -1 3 384.849 0.795 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573873042 950634313 /nfs/dbraw/zinc/63/43/13/950634313.db2.gz DENOBUDCEXUEEW-DYEKYZERSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573873042 950634319 /nfs/dbraw/zinc/63/43/19/950634319.db2.gz DENOBUDCEXUEEW-DYEKYZERSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001574174715 950644612 /nfs/dbraw/zinc/64/46/12/950644612.db2.gz JPHXNIMQERTTSJ-OCCSQVGLSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001574174715 950644628 /nfs/dbraw/zinc/64/46/28/950644628.db2.gz JPHXNIMQERTTSJ-OCCSQVGLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575001870 950646900 /nfs/dbraw/zinc/64/69/00/950646900.db2.gz NTSZIDHJEZLAKC-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575001870 950646912 /nfs/dbraw/zinc/64/69/12/950646912.db2.gz NTSZIDHJEZLAKC-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573873557 950649639 /nfs/dbraw/zinc/64/96/39/950649639.db2.gz QMYZEAUTVAGHTD-VXGBXAGGSA-N -1 3 380.474 0.405 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O ZINC001573873557 950649646 /nfs/dbraw/zinc/64/96/46/950649646.db2.gz QMYZEAUTVAGHTD-VXGBXAGGSA-N -1 3 380.474 0.405 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575002095 950651077 /nfs/dbraw/zinc/65/10/77/950651077.db2.gz YYXAKKOLINOIDJ-JTQLQIEISA-N -1 3 386.420 0.184 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575002095 950651093 /nfs/dbraw/zinc/65/10/93/950651093.db2.gz YYXAKKOLINOIDJ-JTQLQIEISA-N -1 3 386.420 0.184 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575002017 950651368 /nfs/dbraw/zinc/65/13/68/950651368.db2.gz YKIDEQAEVSSDFC-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)ccn1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575002017 950651380 /nfs/dbraw/zinc/65/13/80/950651380.db2.gz YKIDEQAEVSSDFC-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H](O)C2)C1 ZINC001575623559 950652519 /nfs/dbraw/zinc/65/25/19/950652519.db2.gz COKHWBCGELBZHS-SMDDNHRTSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H](O)C2)C1 ZINC001575623559 950652535 /nfs/dbraw/zinc/65/25/35/950652535.db2.gz COKHWBCGELBZHS-SMDDNHRTSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573873669 950652730 /nfs/dbraw/zinc/65/27/30/950652730.db2.gz XKYBKEZAIOOUIL-YABSGUDNSA-N -1 3 375.408 0.767 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573873669 950652741 /nfs/dbraw/zinc/65/27/41/950652741.db2.gz XKYBKEZAIOOUIL-YABSGUDNSA-N -1 3 375.408 0.767 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001574519019 950667656 /nfs/dbraw/zinc/66/76/56/950667656.db2.gz SGEJVQPBJJMRMH-PBOSXPJTSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001574519019 950667675 /nfs/dbraw/zinc/66/76/75/950667675.db2.gz SGEJVQPBJJMRMH-PBOSXPJTSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574519134 950668704 /nfs/dbraw/zinc/66/87/04/950668704.db2.gz BOMBRBREVIWJQH-JQWIXIFHSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574519134 950668714 /nfs/dbraw/zinc/66/87/14/950668714.db2.gz BOMBRBREVIWJQH-JQWIXIFHSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574519025 950669046 /nfs/dbraw/zinc/66/90/46/950669046.db2.gz AQUPCULTFFDAMN-AAEUAGOBSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574519025 950669053 /nfs/dbraw/zinc/66/90/53/950669053.db2.gz AQUPCULTFFDAMN-AAEUAGOBSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001575924366 950670435 /nfs/dbraw/zinc/67/04/35/950670435.db2.gz FFODHTJVMMGXSU-ONGXEEELSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574519154 950672133 /nfs/dbraw/zinc/67/21/33/950672133.db2.gz BVFYWBDNGBRLTP-JQWIXIFHSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574519154 950672150 /nfs/dbraw/zinc/67/21/50/950672150.db2.gz BVFYWBDNGBRLTP-JQWIXIFHSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574760634 950672214 /nfs/dbraw/zinc/67/22/14/950672214.db2.gz KIQWYNMZXJYUCB-SECBINFHSA-N -1 3 389.395 0.011 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574760634 950672223 /nfs/dbraw/zinc/67/22/23/950672223.db2.gz KIQWYNMZXJYUCB-SECBINFHSA-N -1 3 389.395 0.011 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574519450 950682938 /nfs/dbraw/zinc/68/29/38/950682938.db2.gz WLCFVSQTZJNHTM-RAIGVLPGSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574519450 950682950 /nfs/dbraw/zinc/68/29/50/950682950.db2.gz WLCFVSQTZJNHTM-RAIGVLPGSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001576214880 950682904 /nfs/dbraw/zinc/68/29/04/950682904.db2.gz DDKQQQTUCMUNHO-BDJLRTHQSA-N -1 3 381.444 0.903 20 0 GCADHM C[C@H]1[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575925366 950684734 /nfs/dbraw/zinc/68/47/34/950684734.db2.gz UMZLPBHZIIIVTK-GWCFXTLKSA-N -1 3 387.419 0.933 20 0 GCADHM C[C@H]1[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575925366 950684746 /nfs/dbraw/zinc/68/47/46/950684746.db2.gz UMZLPBHZIIIVTK-GWCFXTLKSA-N -1 3 387.419 0.933 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ncccn1)C1CC1 ZINC001575005440 950684864 /nfs/dbraw/zinc/68/48/64/950684864.db2.gz FFDZPNVDPQTXCU-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ncccn1)C1CC1 ZINC001575005440 950684877 /nfs/dbraw/zinc/68/48/77/950684877.db2.gz FFDZPNVDPQTXCU-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574178867 950690842 /nfs/dbraw/zinc/69/08/42/950690842.db2.gz CCXUGPRJXCEMKD-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574178867 950690852 /nfs/dbraw/zinc/69/08/52/950690852.db2.gz CCXUGPRJXCEMKD-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H](O)C2)C1 ZINC001575625618 950691638 /nfs/dbraw/zinc/69/16/38/950691638.db2.gz VIODOYCVTPUDGA-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H](O)C2)C1 ZINC001575625618 950691655 /nfs/dbraw/zinc/69/16/55/950691655.db2.gz VIODOYCVTPUDGA-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H](O)C2)C1 ZINC001575625611 950692417 /nfs/dbraw/zinc/69/24/17/950692417.db2.gz VIODOYCVTPUDGA-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H](O)C2)C1 ZINC001575625611 950692424 /nfs/dbraw/zinc/69/24/24/950692424.db2.gz VIODOYCVTPUDGA-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575005661 950698587 /nfs/dbraw/zinc/69/85/87/950698587.db2.gz KFFIUOFGSGSICA-QGZVFWFLSA-N -1 3 387.444 0.515 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001575005661 950698602 /nfs/dbraw/zinc/69/86/02/950698602.db2.gz KFFIUOFGSGSICA-QGZVFWFLSA-N -1 3 387.444 0.515 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573878218 950699852 /nfs/dbraw/zinc/69/98/52/950699852.db2.gz LDDZZYFAABPVKT-OXHZDVMGSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573878218 950699863 /nfs/dbraw/zinc/69/98/63/950699863.db2.gz LDDZZYFAABPVKT-OXHZDVMGSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574179567 950708144 /nfs/dbraw/zinc/70/81/44/950708144.db2.gz FQROFQAKCTUXPI-UHFFFAOYSA-N -1 3 392.439 0.506 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574179567 950708156 /nfs/dbraw/zinc/70/81/56/950708156.db2.gz FQROFQAKCTUXPI-UHFFFAOYSA-N -1 3 392.439 0.506 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cncs1)C1CC1 ZINC001575006002 950710487 /nfs/dbraw/zinc/71/04/87/950710487.db2.gz PSJSAWXCONQERP-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cncs1)C1CC1 ZINC001575006002 950710506 /nfs/dbraw/zinc/71/05/06/950710506.db2.gz PSJSAWXCONQERP-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575006075 950711973 /nfs/dbraw/zinc/71/19/73/950711973.db2.gz RNBPOBAJPLHQFF-PDSMFRHLSA-N -1 3 385.428 0.246 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001575006075 950711983 /nfs/dbraw/zinc/71/19/83/950711983.db2.gz RNBPOBAJPLHQFF-PDSMFRHLSA-N -1 3 385.428 0.246 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573878541 950714189 /nfs/dbraw/zinc/71/41/89/950714189.db2.gz SYPZBVGREVBQSV-GMTAPVOTSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573878541 950714209 /nfs/dbraw/zinc/71/42/09/950714209.db2.gz SYPZBVGREVBQSV-GMTAPVOTSA-N -1 3 375.433 0.084 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)COCC1CC1)C1CC1 ZINC001575006221 950714815 /nfs/dbraw/zinc/71/48/15/950714815.db2.gz SULKGDQLPXNIFM-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)COCC1CC1)C1CC1 ZINC001575006221 950714837 /nfs/dbraw/zinc/71/48/37/950714837.db2.gz SULKGDQLPXNIFM-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ncccc1-c1nnn[n-]1 ZINC001575006244 950717138 /nfs/dbraw/zinc/71/71/38/950717138.db2.gz UCSREUMMDPTHAT-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ncccc1-c1nn[n-]n1 ZINC001575006244 950717156 /nfs/dbraw/zinc/71/71/56/950717156.db2.gz UCSREUMMDPTHAT-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001576215912 950718870 /nfs/dbraw/zinc/71/88/70/950718870.db2.gz HDGIQJQQPSTGAP-RNCFNFMXSA-N -1 3 384.448 0.652 20 0 GCADHM CC1(C)CC(C(=O)NC2(CCO)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575628311 950720202 /nfs/dbraw/zinc/72/02/02/950720202.db2.gz CMQNMYRSTUNAJG-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)NC2(CCO)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575628311 950720207 /nfs/dbraw/zinc/72/02/07/950720207.db2.gz CMQNMYRSTUNAJG-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575006534 950721131 /nfs/dbraw/zinc/72/11/31/950721131.db2.gz VLGRTJFITDXPTE-BBATYDOGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001575006534 950721148 /nfs/dbraw/zinc/72/11/48/950721148.db2.gz VLGRTJFITDXPTE-BBATYDOGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001575006854 950724901 /nfs/dbraw/zinc/72/49/01/950724901.db2.gz XDVWKIDEFCEAHZ-VOJFVSQTSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001575006854 950724914 /nfs/dbraw/zinc/72/49/14/950724914.db2.gz XDVWKIDEFCEAHZ-VOJFVSQTSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001575006579 950725600 /nfs/dbraw/zinc/72/56/00/950725600.db2.gz VZHKDPQVCBWEJQ-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574763666 950727924 /nfs/dbraw/zinc/72/79/24/950727924.db2.gz HQXYDACMBYKBRX-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574763666 950727946 /nfs/dbraw/zinc/72/79/46/950727946.db2.gz HQXYDACMBYKBRX-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)c1cc(CN[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001573879761 950731032 /nfs/dbraw/zinc/73/10/32/950731032.db2.gz LDYKLDFCCFGNHB-LBPRGKRZSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001573879761 950731047 /nfs/dbraw/zinc/73/10/47/950731047.db2.gz LDYKLDFCCFGNHB-LBPRGKRZSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574180834 950731184 /nfs/dbraw/zinc/73/11/84/950731184.db2.gz XLUGXLJSRYQQDJ-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574180834 950731202 /nfs/dbraw/zinc/73/12/02/950731202.db2.gz XLUGXLJSRYQQDJ-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575007040 950731306 /nfs/dbraw/zinc/73/13/06/950731306.db2.gz ZWONPMSUGLXBAR-VIFPVBQESA-N -1 3 387.379 0.468 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575007040 950731324 /nfs/dbraw/zinc/73/13/24/950731324.db2.gz ZWONPMSUGLXBAR-VIFPVBQESA-N -1 3 387.379 0.468 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001576216357 950732476 /nfs/dbraw/zinc/73/24/76/950732476.db2.gz HVMJAKCXPYPCCM-BDJLRTHQSA-N -1 3 381.444 0.903 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001576216357 950732490 /nfs/dbraw/zinc/73/24/90/950732490.db2.gz HVMJAKCXPYPCCM-BDJLRTHQSA-N -1 3 381.444 0.903 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574763877 950740968 /nfs/dbraw/zinc/74/09/68/950740968.db2.gz MVWDMHRQJNYIPU-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574763877 950740981 /nfs/dbraw/zinc/74/09/81/950740981.db2.gz MVWDMHRQJNYIPU-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cncs1 ZINC001575008229 950741665 /nfs/dbraw/zinc/74/16/65/950741665.db2.gz CVZWMEBTUSTGFG-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cncs1 ZINC001575008229 950741674 /nfs/dbraw/zinc/74/16/74/950741674.db2.gz CVZWMEBTUSTGFG-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)[nH]n1 ZINC001573880248 950742542 /nfs/dbraw/zinc/74/25/42/950742542.db2.gz VWPYJUBXVDEVBX-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)[nH]n1 ZINC001573880248 950742561 /nfs/dbraw/zinc/74/25/61/950742561.db2.gz VWPYJUBXVDEVBX-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)no1 ZINC001573880412 950744148 /nfs/dbraw/zinc/74/41/48/950744148.db2.gz ZTZRMBZGWVETQU-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)no1 ZINC001573880412 950744159 /nfs/dbraw/zinc/74/41/59/950744159.db2.gz ZTZRMBZGWVETQU-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cc(Cl)no1 ZINC001575008495 950746578 /nfs/dbraw/zinc/74/65/78/950746578.db2.gz FSQNEJUXJLQCNA-ZETCQYMHSA-N -1 3 378.780 0.632 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cc(Cl)no1 ZINC001575008495 950746591 /nfs/dbraw/zinc/74/65/91/950746591.db2.gz FSQNEJUXJLQCNA-ZETCQYMHSA-N -1 3 378.780 0.632 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001573880379 950747417 /nfs/dbraw/zinc/74/74/17/950747417.db2.gz XXFVSVVDDLLKGF-OXHZDVMGSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001573880379 950747431 /nfs/dbraw/zinc/74/74/31/950747431.db2.gz XXFVSVVDDLLKGF-OXHZDVMGSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(OCC(=O)N2CCCC[C@H]2C(N)=O)n1 ZINC001573881300 950752104 /nfs/dbraw/zinc/75/21/04/950752104.db2.gz CSQUEVKJAUNOLX-LBPRGKRZSA-N -1 3 387.444 0.804 20 0 GCADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(OCC(=O)N2CCCC[C@H]2C(N)=O)n1 ZINC001573881300 950752119 /nfs/dbraw/zinc/75/21/19/950752119.db2.gz CSQUEVKJAUNOLX-LBPRGKRZSA-N -1 3 387.444 0.804 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574182035 950752700 /nfs/dbraw/zinc/75/27/00/950752700.db2.gz SKHMPQQSMJKUDJ-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574182035 950752715 /nfs/dbraw/zinc/75/27/15/950752715.db2.gz SKHMPQQSMJKUDJ-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574764697 950755711 /nfs/dbraw/zinc/75/57/11/950755711.db2.gz WQJJPYRJSLWJDR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574764697 950755729 /nfs/dbraw/zinc/75/57/29/950755729.db2.gz WQJJPYRJSLWJDR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cscn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574520910 950757435 /nfs/dbraw/zinc/75/74/35/950757435.db2.gz BBGYXCASGCDEIR-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cscn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574520910 950757448 /nfs/dbraw/zinc/75/74/48/950757448.db2.gz BBGYXCASGCDEIR-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCCn1ccnc1 ZINC001575008801 950757584 /nfs/dbraw/zinc/75/75/84/950757584.db2.gz IIVGITXNOMRHCT-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCCn1ccnc1 ZINC001575008801 950757603 /nfs/dbraw/zinc/75/76/03/950757603.db2.gz IIVGITXNOMRHCT-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1ccncn1 ZINC001575008844 950762740 /nfs/dbraw/zinc/76/27/40/950762740.db2.gz IXXJICQEHWRGJT-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1ccncn1 ZINC001575008844 950762756 /nfs/dbraw/zinc/76/27/56/950762756.db2.gz IXXJICQEHWRGJT-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574182770 950763042 /nfs/dbraw/zinc/76/30/42/950763042.db2.gz YNIFLNVECGCFPP-HDJSIYSDSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574182770 950763058 /nfs/dbraw/zinc/76/30/58/950763058.db2.gz YNIFLNVECGCFPP-HDJSIYSDSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1c(Cl)cnn1C ZINC001575008929 950763988 /nfs/dbraw/zinc/76/39/88/950763988.db2.gz KSELPEDKLBGNMN-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1c(Cl)cnn1C ZINC001575008929 950764001 /nfs/dbraw/zinc/76/40/01/950764001.db2.gz KSELPEDKLBGNMN-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1ccnc1 ZINC001575928016 950767504 /nfs/dbraw/zinc/76/75/04/950767504.db2.gz XOFAPVJANZUTBA-STQMWFEESA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1ccnc1 ZINC001575928016 950767519 /nfs/dbraw/zinc/76/75/19/950767519.db2.gz XOFAPVJANZUTBA-STQMWFEESA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576217753 950768718 /nfs/dbraw/zinc/76/87/18/950768718.db2.gz JAJRRRMJVKHCOD-RYUDHWBXSA-N -1 3 384.444 0.424 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576217753 950768732 /nfs/dbraw/zinc/76/87/32/950768732.db2.gz JAJRRRMJVKHCOD-RYUDHWBXSA-N -1 3 384.444 0.424 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)C1CCOCC1 ZINC001575009103 950774429 /nfs/dbraw/zinc/77/44/29/950774429.db2.gz NSAPCZNCHLUVTC-NEPJUHHUSA-N -1 3 389.460 0.740 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)C1CCOCC1 ZINC001575009103 950774442 /nfs/dbraw/zinc/77/44/42/950774442.db2.gz NSAPCZNCHLUVTC-NEPJUHHUSA-N -1 3 389.460 0.740 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cnn(C)c1 ZINC001574521355 950776798 /nfs/dbraw/zinc/77/67/98/950776798.db2.gz FPXLLJFIGUSJNE-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cnn(C)c1 ZINC001574521355 950776811 /nfs/dbraw/zinc/77/68/11/950776811.db2.gz FPXLLJFIGUSJNE-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574765182 950776962 /nfs/dbraw/zinc/77/69/62/950776962.db2.gz GKIOKYCVHAYBDI-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765182 950776973 /nfs/dbraw/zinc/77/69/73/950776973.db2.gz GKIOKYCVHAYBDI-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC1(C)CC(CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575631579 950779145 /nfs/dbraw/zinc/77/91/45/950779145.db2.gz QKNBCTRWZRXLRY-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(CC(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575631579 950779161 /nfs/dbraw/zinc/77/91/61/950779161.db2.gz QKNBCTRWZRXLRY-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnns1 ZINC001575929236 950781221 /nfs/dbraw/zinc/78/12/21/950781221.db2.gz BCNANVLVGRKECD-GMSGAONNSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnns1 ZINC001575929236 950781243 /nfs/dbraw/zinc/78/12/43/950781243.db2.gz BCNANVLVGRKECD-GMSGAONNSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)C1(F)CCOCC1 ZINC001575009261 950783169 /nfs/dbraw/zinc/78/31/69/950783169.db2.gz RFPYETFFEFFVLF-JTQLQIEISA-N -1 3 379.396 0.196 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)C1(F)CCOCC1 ZINC001575009261 950783182 /nfs/dbraw/zinc/78/31/82/950783182.db2.gz RFPYETFFEFFVLF-JTQLQIEISA-N -1 3 379.396 0.196 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1nccs1 ZINC001575009304 950783685 /nfs/dbraw/zinc/78/36/85/950783685.db2.gz SEZQZTOWGVWKKU-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1nccs1 ZINC001575009304 950783701 /nfs/dbraw/zinc/78/37/01/950783701.db2.gz SEZQZTOWGVWKKU-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573884197 950785098 /nfs/dbraw/zinc/78/50/98/950785098.db2.gz ANBRAEUKGGSVQM-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573884197 950785116 /nfs/dbraw/zinc/78/51/16/950785116.db2.gz ANBRAEUKGGSVQM-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1nccs1 ZINC001575009303 950785499 /nfs/dbraw/zinc/78/54/99/950785499.db2.gz SEZQZTOWGVWKKU-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1nccs1 ZINC001575009303 950785517 /nfs/dbraw/zinc/78/55/17/950785517.db2.gz SEZQZTOWGVWKKU-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cnn(C)n1 ZINC001575929595 950788017 /nfs/dbraw/zinc/78/80/17/950788017.db2.gz CQZCZBPLEBBXFE-KWQFWETISA-N -1 3 388.823 0.759 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cnn(C)n1 ZINC001575929595 950788031 /nfs/dbraw/zinc/78/80/31/950788031.db2.gz CQZCZBPLEBBXFE-KWQFWETISA-N -1 3 388.823 0.759 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCCC(N)=O ZINC001575929539 950788588 /nfs/dbraw/zinc/78/85/88/950788588.db2.gz CLVAAGOVIXFFKL-CABZTGNLSA-N -1 3 376.396 0.458 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCCC(N)=O ZINC001575929539 950788602 /nfs/dbraw/zinc/78/86/02/950788602.db2.gz CLVAAGOVIXFFKL-CABZTGNLSA-N -1 3 376.396 0.458 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1CCOCC1 ZINC001574522141 950789099 /nfs/dbraw/zinc/78/90/99/950789099.db2.gz IRHPDABPZDQECK-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1CCOCC1 ZINC001574522141 950789120 /nfs/dbraw/zinc/78/91/20/950789120.db2.gz IRHPDABPZDQECK-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575009809 950797301 /nfs/dbraw/zinc/79/73/01/950797301.db2.gz WYQTYETXDQZKPF-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575009809 950797314 /nfs/dbraw/zinc/79/73/14/950797314.db2.gz WYQTYETXDQZKPF-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765895 950799458 /nfs/dbraw/zinc/79/94/58/950799458.db2.gz FTWBHXNBBXPALR-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765895 950799471 /nfs/dbraw/zinc/79/94/71/950799471.db2.gz FTWBHXNBBXPALR-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573884588 950800052 /nfs/dbraw/zinc/80/00/52/950800052.db2.gz FYFFITNIBVFAAU-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765876 950800153 /nfs/dbraw/zinc/80/01/53/950800153.db2.gz FOEHYDDMERVRHJ-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765876 950800168 /nfs/dbraw/zinc/80/01/68/950800168.db2.gz FOEHYDDMERVRHJ-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1CCOCC1 ZINC001574523104 950800524 /nfs/dbraw/zinc/80/05/24/950800524.db2.gz LYRLGRPYQDAZDV-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1CCOCC1 ZINC001574523104 950800547 /nfs/dbraw/zinc/80/05/47/950800547.db2.gz LYRLGRPYQDAZDV-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1ccncc1 ZINC001575009930 950802160 /nfs/dbraw/zinc/80/21/60/950802160.db2.gz YTUUBBWWFFXWPZ-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1ccncc1 ZINC001575009930 950802178 /nfs/dbraw/zinc/80/21/78/950802178.db2.gz YTUUBBWWFFXWPZ-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576219141 950804469 /nfs/dbraw/zinc/80/44/69/950804469.db2.gz SOQDAQDPHVDUIS-MEBBXXQBSA-N -1 3 382.432 0.298 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1(O)CCC1 ZINC001574523205 950806699 /nfs/dbraw/zinc/80/66/99/950806699.db2.gz MUTSTISIWHMRRH-MNOVXSKESA-N -1 3 375.433 0.513 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1(O)CCC1 ZINC001574523205 950806721 /nfs/dbraw/zinc/80/67/21/950806721.db2.gz MUTSTISIWHMRRH-MNOVXSKESA-N -1 3 375.433 0.513 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001575010102 950807295 /nfs/dbraw/zinc/80/72/95/950807295.db2.gz AIBNOQKBJFAVMN-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001575010102 950807310 /nfs/dbraw/zinc/80/73/10/950807310.db2.gz AIBNOQKBJFAVMN-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)C1CCC(O)CC1 ZINC001575010074 950809615 /nfs/dbraw/zinc/80/96/15/950809615.db2.gz ZQIZSLNIQUHQGC-UNXYVOJBSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)C1CCC(O)CC1 ZINC001575010074 950809637 /nfs/dbraw/zinc/80/96/37/950809637.db2.gz ZQIZSLNIQUHQGC-UNXYVOJBSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1(O)CCC1 ZINC001574523203 950810041 /nfs/dbraw/zinc/81/00/41/950810041.db2.gz MUTSTISIWHMRRH-GHMZBOCLSA-N -1 3 375.433 0.513 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1(O)CCC1 ZINC001574523203 950810058 /nfs/dbraw/zinc/81/00/58/950810058.db2.gz MUTSTISIWHMRRH-GHMZBOCLSA-N -1 3 375.433 0.513 20 0 GCADHM CC1(C)CC(CC(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575633216 950812432 /nfs/dbraw/zinc/81/24/32/950812432.db2.gz QJNSIJVGCNAWGX-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575633216 950812452 /nfs/dbraw/zinc/81/24/52/950812452.db2.gz QJNSIJVGCNAWGX-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CCCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574186673 950817736 /nfs/dbraw/zinc/81/77/36/950817736.db2.gz IAJOVXZRWYBWGS-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574186673 950817755 /nfs/dbraw/zinc/81/77/55/950817755.db2.gz IAJOVXZRWYBWGS-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001573885409 950824831 /nfs/dbraw/zinc/82/48/31/950824831.db2.gz RCTXBTQJHGAKAR-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001573885409 950824854 /nfs/dbraw/zinc/82/48/54/950824854.db2.gz RCTXBTQJHGAKAR-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001573885502 950825858 /nfs/dbraw/zinc/82/58/58/950825858.db2.gz SPPKFFGTBGATAH-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM CC(C)(C)c1nc(CN2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001573885502 950825877 /nfs/dbraw/zinc/82/58/77/950825877.db2.gz SPPKFFGTBGATAH-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573885468 950828380 /nfs/dbraw/zinc/82/83/80/950828380.db2.gz RWFPJWNFNWZONH-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573885468 950828407 /nfs/dbraw/zinc/82/84/07/950828407.db2.gz RWFPJWNFNWZONH-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575010798 950831370 /nfs/dbraw/zinc/83/13/70/950831370.db2.gz IZFIOBCIYOOEKC-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575010798 950831393 /nfs/dbraw/zinc/83/13/93/950831393.db2.gz IZFIOBCIYOOEKC-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575010797 950831739 /nfs/dbraw/zinc/83/17/39/950831739.db2.gz IZFIOBCIYOOEKC-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cnc2n1CCC2 ZINC001575010797 950831756 /nfs/dbraw/zinc/83/17/56/950831756.db2.gz IZFIOBCIYOOEKC-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001575010648 950833462 /nfs/dbraw/zinc/83/34/62/950833462.db2.gz HSYDBLMSGSSYAL-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001575010648 950833484 /nfs/dbraw/zinc/83/34/84/950833484.db2.gz HSYDBLMSGSSYAL-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccon1 ZINC001574523896 950837908 /nfs/dbraw/zinc/83/79/08/950837908.db2.gz RXQBZGBVFNSDML-GHMZBOCLSA-N -1 3 386.416 0.829 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccon1 ZINC001574523896 950837931 /nfs/dbraw/zinc/83/79/31/950837931.db2.gz RXQBZGBVFNSDML-GHMZBOCLSA-N -1 3 386.416 0.829 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001575011043 950844496 /nfs/dbraw/zinc/84/44/96/950844496.db2.gz LZHFIOIENQGKNI-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001575011043 950844521 /nfs/dbraw/zinc/84/45/21/950844521.db2.gz LZHFIOIENQGKNI-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575011022 950846001 /nfs/dbraw/zinc/84/60/01/950846001.db2.gz LSLUOQYZZDNMBY-MNOVXSKESA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575011022 950846031 /nfs/dbraw/zinc/84/60/31/950846031.db2.gz LSLUOQYZZDNMBY-MNOVXSKESA-N -1 3 385.432 0.042 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ccnn1C ZINC001574524189 950849928 /nfs/dbraw/zinc/84/99/28/950849928.db2.gz USNASNFXHMHOOT-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ccnn1C ZINC001574524189 950849948 /nfs/dbraw/zinc/84/99/48/950849948.db2.gz USNASNFXHMHOOT-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCn1ccnc1 ZINC001574524275 950850488 /nfs/dbraw/zinc/85/04/88/950850488.db2.gz VBOKLDMANUQMOU-RYUDHWBXSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CCn1ccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574524274 950851449 /nfs/dbraw/zinc/85/14/49/950851449.db2.gz VBOKLDMANUQMOU-NWDGAFQWSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575011376 950855125 /nfs/dbraw/zinc/85/51/25/950855125.db2.gz OOBZGIKNCUXRRZ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575011376 950855143 /nfs/dbraw/zinc/85/51/43/950855143.db2.gz OOBZGIKNCUXRRZ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCn1cncn1 ZINC001575934457 950855646 /nfs/dbraw/zinc/85/56/46/950855646.db2.gz RMLNZLZGGIIMJK-GXFFZTMASA-N -1 3 386.395 0.484 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCn1cncn1 ZINC001575934457 950855669 /nfs/dbraw/zinc/85/56/69/950855669.db2.gz RMLNZLZGGIIMJK-GXFFZTMASA-N -1 3 386.395 0.484 20 0 GCADHM C[C@H](CN(C)[C@H](C)c1nnnn1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767506 950855582 /nfs/dbraw/zinc/85/55/82/950855582.db2.gz PEXRGRBOROPFBG-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CN(C)[C@H](C)c1nnnn1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767506 950855611 /nfs/dbraw/zinc/85/56/11/950855611.db2.gz PEXRGRBOROPFBG-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)COCC1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574524379 950856205 /nfs/dbraw/zinc/85/62/05/950856205.db2.gz VZUTYEVHVZMFJR-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)COCC1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574524379 950856225 /nfs/dbraw/zinc/85/62/25/950856225.db2.gz VZUTYEVHVZMFJR-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1ccn(C)n1 ZINC001575934452 950858389 /nfs/dbraw/zinc/85/83/89/950858389.db2.gz RKLXFGOUAFJSGI-HZMBPMFUSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1ccn(C)n1 ZINC001575934452 950858407 /nfs/dbraw/zinc/85/84/07/950858407.db2.gz RKLXFGOUAFJSGI-HZMBPMFUSA-N -1 3 385.407 0.778 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574189291 950873408 /nfs/dbraw/zinc/87/34/08/950873408.db2.gz HVLREQXUOMHJDC-GFCCVEGCSA-N -1 3 377.449 0.570 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574189291 950873429 /nfs/dbraw/zinc/87/34/29/950873429.db2.gz HVLREQXUOMHJDC-GFCCVEGCSA-N -1 3 377.449 0.570 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NCC(C)(C)C ZINC001575011970 950875169 /nfs/dbraw/zinc/87/51/69/950875169.db2.gz UVRJTCDXBAVIKK-LLVKDONJSA-N -1 3 376.465 0.407 20 0 GCADHM C[C@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767946 950875515 /nfs/dbraw/zinc/87/55/15/950875515.db2.gz VMNQMCJLMDURBH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767946 950875523 /nfs/dbraw/zinc/87/55/23/950875523.db2.gz VMNQMCJLMDURBH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575012147 950878690 /nfs/dbraw/zinc/87/86/90/950878690.db2.gz XHGCEADPXJSQQZ-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575012147 950878706 /nfs/dbraw/zinc/87/87/06/950878706.db2.gz XHGCEADPXJSQQZ-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893410 950879255 /nfs/dbraw/zinc/87/92/55/950879255.db2.gz DVRREXUINZUMTD-GFCCVEGCSA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893410 950879270 /nfs/dbraw/zinc/87/92/70/950879270.db2.gz DVRREXUINZUMTD-GFCCVEGCSA-N -1 3 382.432 0.617 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nnc2n1CCCC2 ZINC001575012182 950883952 /nfs/dbraw/zinc/88/39/52/950883952.db2.gz XLZYJSQAXSOVJZ-NSHDSACASA-N -1 3 384.448 0.373 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nnc2n1CCCC2 ZINC001575012182 950883970 /nfs/dbraw/zinc/88/39/70/950883970.db2.gz XLZYJSQAXSOVJZ-NSHDSACASA-N -1 3 384.448 0.373 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)[C@@H](C)c1nnnn1C1CC1 ZINC001575012357 950885547 /nfs/dbraw/zinc/88/55/47/950885547.db2.gz YZBRRFROAIYPHR-ZJUUUORDSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)[C@@H](C)c1nnnn1C1CC1 ZINC001575012357 950885568 /nfs/dbraw/zinc/88/55/68/950885568.db2.gz YZBRRFROAIYPHR-ZJUUUORDSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574768355 950888446 /nfs/dbraw/zinc/88/84/46/950888446.db2.gz URSIWHTVXSMEQK-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768355 950888460 /nfs/dbraw/zinc/88/84/60/950888460.db2.gz URSIWHTVXSMEQK-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001573893514 950889244 /nfs/dbraw/zinc/88/92/44/950889244.db2.gz JVWBYSMOKUFZPN-XYPYZODXSA-N -1 3 383.420 0.376 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001573893514 950889259 /nfs/dbraw/zinc/88/92/59/950889259.db2.gz JVWBYSMOKUFZPN-XYPYZODXSA-N -1 3 383.420 0.376 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)CC(=O)Nc1ccccc1 ZINC001575012401 950890787 /nfs/dbraw/zinc/89/07/87/950890787.db2.gz ZNOWNGQQKNWTNQ-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)Nc1ccccc1 ZINC001575012401 950890806 /nfs/dbraw/zinc/89/08/06/950890806.db2.gz ZNOWNGQQKNWTNQ-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575935741 950893885 /nfs/dbraw/zinc/89/38/85/950893885.db2.gz AXHVPMBWBGUGCL-CMPLNLGQSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575935741 950893901 /nfs/dbraw/zinc/89/39/01/950893901.db2.gz AXHVPMBWBGUGCL-CMPLNLGQSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575935744 950894070 /nfs/dbraw/zinc/89/40/70/950894070.db2.gz AXHVPMBWBGUGCL-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575935744 950894090 /nfs/dbraw/zinc/89/40/90/950894090.db2.gz AXHVPMBWBGUGCL-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H](CN(C)CC(=O)NCc1ccco1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574768674 950895386 /nfs/dbraw/zinc/89/53/86/950895386.db2.gz VCUQAHOLSMMMOU-NSHDSACASA-N -1 3 386.416 0.154 20 0 GCADHM C[C@@H](CN(C)CC(=O)NCc1ccco1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574768674 950895398 /nfs/dbraw/zinc/89/53/98/950895398.db2.gz VCUQAHOLSMMMOU-NSHDSACASA-N -1 3 386.416 0.154 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001575013650 950896181 /nfs/dbraw/zinc/89/61/81/950896181.db2.gz BPUCFIKYARYQBA-JQWIXIFHSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001575013650 950896205 /nfs/dbraw/zinc/89/62/05/950896205.db2.gz BPUCFIKYARYQBA-JQWIXIFHSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc2c(c1)COC2 ZINC001575013647 950896510 /nfs/dbraw/zinc/89/65/10/950896510.db2.gz BPILWMNHCYOWTM-JTQLQIEISA-N -1 3 381.396 0.773 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc2c(c1)COC2 ZINC001575013647 950896518 /nfs/dbraw/zinc/89/65/18/950896518.db2.gz BPILWMNHCYOWTM-JTQLQIEISA-N -1 3 381.396 0.773 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cccc(F)c1F ZINC001575014460 950903943 /nfs/dbraw/zinc/90/39/43/950903943.db2.gz GCKPBHVAOBBMGF-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cccc(F)c1F ZINC001575014460 950903959 /nfs/dbraw/zinc/90/39/59/950903959.db2.gz GCKPBHVAOBBMGF-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001573893895 950907939 /nfs/dbraw/zinc/90/79/39/950907939.db2.gz AZCCEGLEOSDEPY-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001573893895 950907960 /nfs/dbraw/zinc/90/79/60/950907960.db2.gz AZCCEGLEOSDEPY-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575014686 950907821 /nfs/dbraw/zinc/90/78/21/950907821.db2.gz HZNZZNDAXCWSQP-NOZJJQNGSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575014686 950907835 /nfs/dbraw/zinc/90/78/35/950907835.db2.gz HZNZZNDAXCWSQP-NOZJJQNGSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001575014696 950909590 /nfs/dbraw/zinc/90/95/90/950909590.db2.gz IADIWFCGCUSAOP-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001575014696 950909607 /nfs/dbraw/zinc/90/96/07/950909607.db2.gz IADIWFCGCUSAOP-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1(C2CC2)CCOCC1 ZINC001575014941 950915572 /nfs/dbraw/zinc/91/55/72/950915572.db2.gz JWTBBEPOQQFNMO-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1(C2CC2)CCOCC1 ZINC001575014941 950915627 /nfs/dbraw/zinc/91/56/27/950915627.db2.gz JWTBBEPOQQFNMO-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]n1 ZINC001575936517 950918180 /nfs/dbraw/zinc/91/81/80/950918180.db2.gz GBZDGHHTDMQEDR-NTSWFWBYSA-N -1 3 380.825 0.810 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001573894102 950918173 /nfs/dbraw/zinc/91/81/73/950918173.db2.gz LUZGWQOVRVUBPC-LBPRGKRZSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001573894102 950918188 /nfs/dbraw/zinc/91/81/88/950918188.db2.gz LUZGWQOVRVUBPC-LBPRGKRZSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575936652 950921104 /nfs/dbraw/zinc/92/11/04/950921104.db2.gz HCNKUUJCLCNBQP-SKDRFNHKSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575936652 950921120 /nfs/dbraw/zinc/92/11/20/950921120.db2.gz HCNKUUJCLCNBQP-SKDRFNHKSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575936651 950921144 /nfs/dbraw/zinc/92/11/44/950921144.db2.gz HCNKUUJCLCNBQP-JOYOIKCWSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575936651 950921153 /nfs/dbraw/zinc/92/11/53/950921153.db2.gz HCNKUUJCLCNBQP-JOYOIKCWSA-N -1 3 382.384 0.669 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001573894112 950924569 /nfs/dbraw/zinc/92/45/69/950924569.db2.gz MHLIYSCGNBXTJP-PHIMTYICSA-N -1 3 382.432 0.981 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001573894112 950924588 /nfs/dbraw/zinc/92/45/88/950924588.db2.gz MHLIYSCGNBXTJP-PHIMTYICSA-N -1 3 382.432 0.981 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001573894113 950924675 /nfs/dbraw/zinc/92/46/75/950924675.db2.gz MHLIYSCGNBXTJP-XYPYZODXSA-N -1 3 382.432 0.981 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001573894113 950924683 /nfs/dbraw/zinc/92/46/83/950924683.db2.gz MHLIYSCGNBXTJP-XYPYZODXSA-N -1 3 382.432 0.981 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001575015183 950925511 /nfs/dbraw/zinc/92/55/11/950925511.db2.gz NJTACZYBJNHREF-VXGBXAGGSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001575015183 950925525 /nfs/dbraw/zinc/92/55/25/950925525.db2.gz NJTACZYBJNHREF-VXGBXAGGSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)cn1 ZINC001573894184 950929758 /nfs/dbraw/zinc/92/97/58/950929758.db2.gz QGRDBJVOUQCNRO-LBPRGKRZSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)cn1 ZINC001573894184 950929774 /nfs/dbraw/zinc/92/97/74/950929774.db2.gz QGRDBJVOUQCNRO-LBPRGKRZSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CO1 ZINC001575936908 950930139 /nfs/dbraw/zinc/93/01/39/950930139.db2.gz AQQHZOKTYSZXET-AAEUAGOBSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CO1 ZINC001575936908 950930151 /nfs/dbraw/zinc/93/01/51/950930151.db2.gz AQQHZOKTYSZXET-AAEUAGOBSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CO1 ZINC001575936910 950931136 /nfs/dbraw/zinc/93/11/36/950931136.db2.gz AQQHZOKTYSZXET-WCQYABFASA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CO1 ZINC001575936910 950931150 /nfs/dbraw/zinc/93/11/50/950931150.db2.gz AQQHZOKTYSZXET-WCQYABFASA-N -1 3 375.433 0.540 20 0 GCADHM CC(C)(C)n1cc(CN[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001573894657 950933127 /nfs/dbraw/zinc/93/31/27/950933127.db2.gz WOGXTSAQFZCMQX-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001573894657 950933141 /nfs/dbraw/zinc/93/31/41/950933141.db2.gz WOGXTSAQFZCMQX-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001573894727 950935832 /nfs/dbraw/zinc/93/58/32/950935832.db2.gz ZFNGFOKGUXQSAY-ZDUSSCGKSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001573894727 950935848 /nfs/dbraw/zinc/93/58/48/950935848.db2.gz ZFNGFOKGUXQSAY-ZDUSSCGKSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001573894720 950936846 /nfs/dbraw/zinc/93/68/46/950936846.db2.gz ZAVUNBPXYPGPOJ-ZDUSSCGKSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001573894720 950936865 /nfs/dbraw/zinc/93/68/65/950936865.db2.gz ZAVUNBPXYPGPOJ-ZDUSSCGKSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)n1 ZINC001573894764 950937355 /nfs/dbraw/zinc/93/73/55/950937355.db2.gz ZJFHVOLORWAZRO-LLVKDONJSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)n1 ZINC001573894764 950937373 /nfs/dbraw/zinc/93/73/73/950937373.db2.gz ZJFHVOLORWAZRO-LLVKDONJSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cn(C)nc1Cl ZINC001575015490 950939803 /nfs/dbraw/zinc/93/98/03/950939803.db2.gz RLRLCHKWHFJABC-MRVPVSSYSA-N -1 3 391.823 0.059 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cn(C)nc1Cl ZINC001575015490 950939822 /nfs/dbraw/zinc/93/98/22/950939822.db2.gz RLRLCHKWHFJABC-MRVPVSSYSA-N -1 3 391.823 0.059 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573895974 950941465 /nfs/dbraw/zinc/94/14/65/950941465.db2.gz FSUWRNNQUOTRKZ-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573895974 950941491 /nfs/dbraw/zinc/94/14/91/950941491.db2.gz FSUWRNNQUOTRKZ-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCc1ccccc1 ZINC001575015667 950942611 /nfs/dbraw/zinc/94/26/11/950942611.db2.gz UNJKAQUAULSQMC-GFCCVEGCSA-N -1 3 383.412 0.646 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCc1ccccc1 ZINC001575015667 950942631 /nfs/dbraw/zinc/94/26/31/950942631.db2.gz UNJKAQUAULSQMC-GFCCVEGCSA-N -1 3 383.412 0.646 20 0 GCADHM C[C@H]1CN(C(=O)C2(CCF)CC2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576228558 950944309 /nfs/dbraw/zinc/94/43/09/950944309.db2.gz HQSLPRBLVSCYNV-GWCFXTLKSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H]1CN(C(=O)C2(CCF)CC2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576228558 950944320 /nfs/dbraw/zinc/94/43/20/950944320.db2.gz HQSLPRBLVSCYNV-GWCFXTLKSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575937363 950944638 /nfs/dbraw/zinc/94/46/38/950944638.db2.gz DYNGZWIWMYYDSX-QWHCGFSZSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575937363 950944650 /nfs/dbraw/zinc/94/46/50/950944650.db2.gz DYNGZWIWMYYDSX-QWHCGFSZSA-N -1 3 389.460 0.930 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575642513 950946662 /nfs/dbraw/zinc/94/66/62/950946662.db2.gz HXSJKDSREFNYAD-XIKOKIGWSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575642513 950946678 /nfs/dbraw/zinc/94/66/78/950946678.db2.gz HXSJKDSREFNYAD-XIKOKIGWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COc1ccccc1F ZINC001575015809 950949891 /nfs/dbraw/zinc/94/98/91/950949891.db2.gz WLVJSMPIPNIXQN-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COc1ccccc1F ZINC001575015809 950949908 /nfs/dbraw/zinc/94/99/08/950949908.db2.gz WLVJSMPIPNIXQN-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576228566 950950345 /nfs/dbraw/zinc/95/03/45/950950345.db2.gz HQSLPRBLVSCYNV-ZWNOBZJWSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576228566 950950372 /nfs/dbraw/zinc/95/03/72/950950372.db2.gz HQSLPRBLVSCYNV-ZWNOBZJWSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574194078 950951486 /nfs/dbraw/zinc/95/14/86/950951486.db2.gz WEALUIPPBPIXIR-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574194078 950951506 /nfs/dbraw/zinc/95/15/06/950951506.db2.gz WEALUIPPBPIXIR-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574194080 950952551 /nfs/dbraw/zinc/95/25/51/950952551.db2.gz WEALUIPPBPIXIR-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574194080 950952562 /nfs/dbraw/zinc/95/25/62/950952562.db2.gz WEALUIPPBPIXIR-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001575015948 950954699 /nfs/dbraw/zinc/95/46/99/950954699.db2.gz YOTIXZPIKONZSV-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001575015948 950954711 /nfs/dbraw/zinc/95/47/11/950954711.db2.gz YOTIXZPIKONZSV-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001575016007 950958226 /nfs/dbraw/zinc/95/82/26/950958226.db2.gz ZUWXQHMSUWSDCO-ZYHUDNBSSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001575016007 950958238 /nfs/dbraw/zinc/95/82/38/950958238.db2.gz ZUWXQHMSUWSDCO-ZYHUDNBSSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001575016859 950963274 /nfs/dbraw/zinc/96/32/74/950963274.db2.gz BIXIPPXKXHCTKJ-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001575016859 950963285 /nfs/dbraw/zinc/96/32/85/950963285.db2.gz BIXIPPXKXHCTKJ-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001575643262 950967544 /nfs/dbraw/zinc/96/75/44/950967544.db2.gz LBCJYYMSRQJRKW-NWDGAFQWSA-N -1 3 385.428 0.341 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001575643262 950967560 /nfs/dbraw/zinc/96/75/60/950967560.db2.gz LBCJYYMSRQJRKW-NWDGAFQWSA-N -1 3 385.428 0.341 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C1CC1 ZINC001573899502 950980955 /nfs/dbraw/zinc/98/09/55/950980955.db2.gz AZKCUVYMYISXEI-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C1CC1 ZINC001573899502 950980964 /nfs/dbraw/zinc/98/09/64/950980964.db2.gz AZKCUVYMYISXEI-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575938533 950985779 /nfs/dbraw/zinc/98/57/79/950985779.db2.gz LMIJYXOKRGYOFE-NWDGAFQWSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575938533 950985795 /nfs/dbraw/zinc/98/57/95/950985795.db2.gz LMIJYXOKRGYOFE-NWDGAFQWSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1csc(Cl)n1 ZINC001575017621 951005267 /nfs/dbraw/zinc/00/52/67/951005267.db2.gz MIGHIFQJDFKNPH-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1csc(Cl)n1 ZINC001575017621 951005297 /nfs/dbraw/zinc/00/52/97/951005297.db2.gz MIGHIFQJDFKNPH-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575024250 951095560 /nfs/dbraw/zinc/09/55/60/951095560.db2.gz YXNZWWVRIKSISC-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575024250 951095571 /nfs/dbraw/zinc/09/55/71/951095571.db2.gz YXNZWWVRIKSISC-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575024856 951117958 /nfs/dbraw/zinc/11/79/58/951117958.db2.gz OASKVVKLIYWGEN-VIFPVBQESA-N -1 3 391.413 0.489 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575024856 951117967 /nfs/dbraw/zinc/11/79/67/951117967.db2.gz OASKVVKLIYWGEN-VIFPVBQESA-N -1 3 391.413 0.489 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ncccc1-c1nnn[n-]1 ZINC001575025100 951125849 /nfs/dbraw/zinc/12/58/49/951125849.db2.gz UZISIEZNIHDTDD-VIFPVBQESA-N -1 3 391.413 0.489 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ncccc1-c1nn[n-]n1 ZINC001575025100 951125856 /nfs/dbraw/zinc/12/58/56/951125856.db2.gz UZISIEZNIHDTDD-VIFPVBQESA-N -1 3 391.413 0.489 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575025841 951136138 /nfs/dbraw/zinc/13/61/38/951136138.db2.gz BWTDZDABHCHNDF-VIFPVBQESA-N -1 3 388.819 0.844 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575025841 951136146 /nfs/dbraw/zinc/13/61/46/951136146.db2.gz BWTDZDABHCHNDF-VIFPVBQESA-N -1 3 388.819 0.844 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(CN(C)C)c1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575026227 951140964 /nfs/dbraw/zinc/14/09/64/951140964.db2.gz HCPXNFGTBFJDBO-LBPRGKRZSA-N -1 3 381.444 0.371 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575026370 951141102 /nfs/dbraw/zinc/14/11/02/951141102.db2.gz IATZWTJKDFZQQG-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575026370 951141109 /nfs/dbraw/zinc/14/11/09/951141109.db2.gz IATZWTJKDFZQQG-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575026668 951146366 /nfs/dbraw/zinc/14/63/66/951146366.db2.gz LYWWSQDZSMVLIQ-SECBINFHSA-N -1 3 384.375 0.730 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575026668 951146374 /nfs/dbraw/zinc/14/63/74/951146374.db2.gz LYWWSQDZSMVLIQ-SECBINFHSA-N -1 3 384.375 0.730 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575027055 951152741 /nfs/dbraw/zinc/15/27/41/951152741.db2.gz OZGGGJVVZYZOFR-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575027055 951152748 /nfs/dbraw/zinc/15/27/48/951152748.db2.gz OZGGGJVVZYZOFR-MRVPVSSYSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575027057 951153470 /nfs/dbraw/zinc/15/34/70/951153470.db2.gz OZGGGJVVZYZOFR-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575027057 951153478 /nfs/dbraw/zinc/15/34/78/951153478.db2.gz OZGGGJVVZYZOFR-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575027279 951155422 /nfs/dbraw/zinc/15/54/22/951155422.db2.gz DQRBZWJEKJUEOE-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575027279 951155436 /nfs/dbraw/zinc/15/54/36/951155436.db2.gz DQRBZWJEKJUEOE-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ncccc1-c1nnn[n-]1 ZINC001575027550 951160326 /nfs/dbraw/zinc/16/03/26/951160326.db2.gz RVQAAOYCZSUWEN-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ncccc1-c1nn[n-]n1 ZINC001575027550 951160334 /nfs/dbraw/zinc/16/03/34/951160334.db2.gz RVQAAOYCZSUWEN-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nccn2c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575027985 951164654 /nfs/dbraw/zinc/16/46/54/951164654.db2.gz SHTAMNCFMVYLOL-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nccn2c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575027985 951164665 /nfs/dbraw/zinc/16/46/65/951164665.db2.gz SHTAMNCFMVYLOL-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nccn2c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575027983 951164962 /nfs/dbraw/zinc/16/49/62/951164962.db2.gz SHTAMNCFMVYLOL-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2nccn2c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575027983 951164970 /nfs/dbraw/zinc/16/49/70/951164970.db2.gz SHTAMNCFMVYLOL-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575029092 951184440 /nfs/dbraw/zinc/18/44/40/951184440.db2.gz ZGWPFHGDRJXTLY-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575029092 951184444 /nfs/dbraw/zinc/18/44/44/951184444.db2.gz ZGWPFHGDRJXTLY-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575031877 951207221 /nfs/dbraw/zinc/20/72/21/951207221.db2.gz KYELOAMZWSZDHD-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575031877 951207226 /nfs/dbraw/zinc/20/72/26/951207226.db2.gz KYELOAMZWSZDHD-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@](CNC(=O)c1ccns1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575033912 951231821 /nfs/dbraw/zinc/23/18/21/951231821.db2.gz DWPWFXNXRGFNPX-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1ccns1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575033912 951231827 /nfs/dbraw/zinc/23/18/27/951231827.db2.gz DWPWFXNXRGFNPX-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575034721 951254858 /nfs/dbraw/zinc/25/48/58/951254858.db2.gz CJPUJGXWNFPLQE-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575034721 951254872 /nfs/dbraw/zinc/25/48/72/951254872.db2.gz CJPUJGXWNFPLQE-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575034992 951263388 /nfs/dbraw/zinc/26/33/88/951263388.db2.gz RSWGNVNLXGHBIC-SECBINFHSA-N -1 3 377.359 0.954 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575034992 951263407 /nfs/dbraw/zinc/26/34/07/951263407.db2.gz RSWGNVNLXGHBIC-SECBINFHSA-N -1 3 377.359 0.954 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575036250 951291878 /nfs/dbraw/zinc/29/18/78/951291878.db2.gz QAGWISRARCTMAY-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575036250 951291889 /nfs/dbraw/zinc/29/18/89/951291889.db2.gz QAGWISRARCTMAY-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575036845 951301303 /nfs/dbraw/zinc/30/13/03/951301303.db2.gz XOZMWNJUDOZYEB-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575036845 951301312 /nfs/dbraw/zinc/30/13/12/951301312.db2.gz XOZMWNJUDOZYEB-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575036918 951304726 /nfs/dbraw/zinc/30/47/26/951304726.db2.gz YRCSUOCJFIRRAU-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575036918 951304743 /nfs/dbraw/zinc/30/47/43/951304743.db2.gz YRCSUOCJFIRRAU-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575039715 951334028 /nfs/dbraw/zinc/33/40/28/951334028.db2.gz SGQHASABOXAKAO-LLVKDONJSA-N -1 3 384.448 0.863 20 0 GCADHM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575039715 951334043 /nfs/dbraw/zinc/33/40/43/951334043.db2.gz SGQHASABOXAKAO-LLVKDONJSA-N -1 3 384.448 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575040592 951344960 /nfs/dbraw/zinc/34/49/60/951344960.db2.gz ZCFWSLQPXYANDU-JTQLQIEISA-N -1 3 384.400 0.137 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575040592 951344972 /nfs/dbraw/zinc/34/49/72/951344972.db2.gz ZCFWSLQPXYANDU-JTQLQIEISA-N -1 3 384.400 0.137 20 0 GCADHM C[C@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575042910 951372617 /nfs/dbraw/zinc/37/26/17/951372617.db2.gz DDFDRIIPIAVMGR-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575042910 951372631 /nfs/dbraw/zinc/37/26/31/951372631.db2.gz DDFDRIIPIAVMGR-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575043072 951380002 /nfs/dbraw/zinc/38/00/02/951380002.db2.gz OCJMCNNIBJLSTK-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575043072 951380011 /nfs/dbraw/zinc/38/00/11/951380011.db2.gz OCJMCNNIBJLSTK-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575043304 951387240 /nfs/dbraw/zinc/38/72/40/951387240.db2.gz HXDCKHOKHQFZKF-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575043304 951387256 /nfs/dbraw/zinc/38/72/56/951387256.db2.gz HXDCKHOKHQFZKF-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575043627 951398808 /nfs/dbraw/zinc/39/88/08/951398808.db2.gz KWWITMWLNXIOOR-JTQLQIEISA-N -1 3 386.391 0.752 20 0 GCADHM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575043627 951398818 /nfs/dbraw/zinc/39/88/18/951398818.db2.gz KWWITMWLNXIOOR-JTQLQIEISA-N -1 3 386.391 0.752 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575044357 951414044 /nfs/dbraw/zinc/41/40/44/951414044.db2.gz ZEXXRQSYMFUGPZ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575044357 951414056 /nfs/dbraw/zinc/41/40/56/951414056.db2.gz ZEXXRQSYMFUGPZ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@](CNC(=O)c1cnccn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575046477 951442171 /nfs/dbraw/zinc/44/21/71/951442171.db2.gz OMJXGLFWDVQWIB-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cnccn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575046477 951442178 /nfs/dbraw/zinc/44/21/78/951442178.db2.gz OMJXGLFWDVQWIB-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2nccnc2c1)Nc1ncccc1-c1nnn[n-]1 ZINC001575046461 951442707 /nfs/dbraw/zinc/44/27/07/951442707.db2.gz OKQKQSUXHNFKJE-JTQLQIEISA-N -1 3 376.384 0.830 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2nccnc2c1)Nc1ncccc1-c1nn[n-]n1 ZINC001575046461 951442712 /nfs/dbraw/zinc/44/27/12/951442712.db2.gz OKQKQSUXHNFKJE-JTQLQIEISA-N -1 3 376.384 0.830 20 0 GCADHM C[C@](CNC(=O)c1cncnc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575046994 951452569 /nfs/dbraw/zinc/45/25/69/951452569.db2.gz WRXDZCTUYFWGLM-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cncnc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575046994 951452581 /nfs/dbraw/zinc/45/25/81/951452581.db2.gz WRXDZCTUYFWGLM-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001575051958 951456707 /nfs/dbraw/zinc/45/67/07/951456707.db2.gz BWPDQMRPCKQKRA-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001575051958 951456716 /nfs/dbraw/zinc/45/67/16/951456716.db2.gz BWPDQMRPCKQKRA-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@](CNC(=O)c1cncs1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575052387 951463395 /nfs/dbraw/zinc/46/33/95/951463395.db2.gz ICVGNAIZGCESBY-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1cncs1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575052387 951463405 /nfs/dbraw/zinc/46/34/05/951463405.db2.gz ICVGNAIZGCESBY-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575052642 951470645 /nfs/dbraw/zinc/47/06/45/951470645.db2.gz NETFHPRAGSNJKF-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575052642 951470649 /nfs/dbraw/zinc/47/06/49/951470649.db2.gz NETFHPRAGSNJKF-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053658 951480811 /nfs/dbraw/zinc/48/08/11/951480811.db2.gz SZBZYVLNLSVTQR-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C(F)F)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053658 951480818 /nfs/dbraw/zinc/48/08/18/951480818.db2.gz SZBZYVLNLSVTQR-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575054184 951489030 /nfs/dbraw/zinc/48/90/30/951489030.db2.gz XDAJGGMPRWRDHB-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575054184 951489038 /nfs/dbraw/zinc/48/90/38/951489038.db2.gz XDAJGGMPRWRDHB-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575054604 951494178 /nfs/dbraw/zinc/49/41/78/951494178.db2.gz YWVNKTWQEPAQQW-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575054604 951494181 /nfs/dbraw/zinc/49/41/81/951494181.db2.gz YWVNKTWQEPAQQW-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575055936 951514707 /nfs/dbraw/zinc/51/47/07/951514707.db2.gz CRZWZRYOXQVTJF-SECBINFHSA-N -1 3 384.400 0.684 20 0 GCADHM C[C@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575055936 951514716 /nfs/dbraw/zinc/51/47/16/951514716.db2.gz CRZWZRYOXQVTJF-SECBINFHSA-N -1 3 384.400 0.684 20 0 GCADHM C[C@@H](CNC(=O)c1csc(=O)[nH]1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575056377 951521031 /nfs/dbraw/zinc/52/10/31/951521031.db2.gz IEXAUAQSRSIXBT-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CC2)n1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575058873 951537678 /nfs/dbraw/zinc/53/76/78/951537678.db2.gz WALZSKRESIPHFD-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CC2)n1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575058873 951537686 /nfs/dbraw/zinc/53/76/86/951537686.db2.gz WALZSKRESIPHFD-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575061566 951557128 /nfs/dbraw/zinc/55/71/28/951557128.db2.gz NJWAZCCLQAJCFR-SNVBAGLBSA-N -1 3 382.432 0.513 20 0 GCADHM C[C@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575061843 951562213 /nfs/dbraw/zinc/56/22/13/951562213.db2.gz PZQKFOTWQFQORI-SECBINFHSA-N -1 3 385.407 0.867 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575062159 951565627 /nfs/dbraw/zinc/56/56/27/951565627.db2.gz UTTCASPXUFTCFK-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575062159 951565634 /nfs/dbraw/zinc/56/56/34/951565634.db2.gz UTTCASPXUFTCFK-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575062401 951569170 /nfs/dbraw/zinc/56/91/70/951569170.db2.gz VVMXDJHTVCGYRU-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575062401 951569179 /nfs/dbraw/zinc/56/91/79/951569179.db2.gz VVMXDJHTVCGYRU-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575064708 951575559 /nfs/dbraw/zinc/57/55/59/951575559.db2.gz CMCCSTBDBHJGQZ-SECBINFHSA-N -1 3 385.384 0.409 20 0 GCADHM C[C@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575064708 951575566 /nfs/dbraw/zinc/57/55/66/951575566.db2.gz CMCCSTBDBHJGQZ-SECBINFHSA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575064842 951580035 /nfs/dbraw/zinc/58/00/35/951580035.db2.gz DSJLNIALVRXXEE-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575064842 951580047 /nfs/dbraw/zinc/58/00/47/951580047.db2.gz DSJLNIALVRXXEE-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM C[C@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575065380 951584328 /nfs/dbraw/zinc/58/43/28/951584328.db2.gz GOILFIHKENLKSN-SECBINFHSA-N -1 3 385.384 0.409 20 0 GCADHM C[C@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575065380 951584336 /nfs/dbraw/zinc/58/43/36/951584336.db2.gz GOILFIHKENLKSN-SECBINFHSA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@](CNC(=O)c1nccs1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575066557 951596881 /nfs/dbraw/zinc/59/68/81/951596881.db2.gz GQQGKDKUXJHFRH-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1nccs1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575066557 951596887 /nfs/dbraw/zinc/59/68/87/951596887.db2.gz GQQGKDKUXJHFRH-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575067820 951623506 /nfs/dbraw/zinc/62/35/06/951623506.db2.gz ZSBHRNCDMQYRQR-JTQLQIEISA-N -1 3 384.400 0.577 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575067820 951623513 /nfs/dbraw/zinc/62/35/13/951623513.db2.gz ZSBHRNCDMQYRQR-JTQLQIEISA-N -1 3 384.400 0.577 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575068030 951629819 /nfs/dbraw/zinc/62/98/19/951629819.db2.gz VTEHOXRROLRMRV-LLVKDONJSA-N -1 3 384.448 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575068030 951629825 /nfs/dbraw/zinc/62/98/25/951629825.db2.gz VTEHOXRROLRMRV-LLVKDONJSA-N -1 3 384.448 0.863 20 0 GCADHM O=C([O-])C[NH+]1CCC(NC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC001595074492 951631326 /nfs/dbraw/zinc/63/13/26/951631326.db2.gz SZOBIQFEAGNDOP-UHFFFAOYSA-N -1 3 394.394 0.636 20 0 GCADHM C[C@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575071036 951657783 /nfs/dbraw/zinc/65/77/83/951657783.db2.gz XJHUILZZZVNGSX-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575071036 951657786 /nfs/dbraw/zinc/65/77/86/951657786.db2.gz XJHUILZZZVNGSX-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575121103 951992133 /nfs/dbraw/zinc/99/21/33/951992133.db2.gz BGPJKUQDVVIWIE-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575121103 951992144 /nfs/dbraw/zinc/99/21/44/951992144.db2.gz BGPJKUQDVVIWIE-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575121104 951993084 /nfs/dbraw/zinc/99/30/84/951993084.db2.gz BGPJKUQDVVIWIE-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575121104 951993091 /nfs/dbraw/zinc/99/30/91/951993091.db2.gz BGPJKUQDVVIWIE-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575121782 951999020 /nfs/dbraw/zinc/99/90/20/951999020.db2.gz HNECDZPZSVJLNI-DGCLKSJQSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575121782 951999024 /nfs/dbraw/zinc/99/90/24/951999024.db2.gz HNECDZPZSVJLNI-DGCLKSJQSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575122228 952003361 /nfs/dbraw/zinc/00/33/61/952003361.db2.gz KMDCCIZHMJOFAB-TZMCWYRMSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575122228 952003370 /nfs/dbraw/zinc/00/33/70/952003370.db2.gz KMDCCIZHMJOFAB-TZMCWYRMSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575122870 952007947 /nfs/dbraw/zinc/00/79/47/952007947.db2.gz AAMNMWKOFPFVCR-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575122870 952007955 /nfs/dbraw/zinc/00/79/55/952007955.db2.gz AAMNMWKOFPFVCR-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575124032 952022743 /nfs/dbraw/zinc/02/27/43/952022743.db2.gz FGNVAYKOBAVIJY-BBATYDOGSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575124032 952022754 /nfs/dbraw/zinc/02/27/54/952022754.db2.gz FGNVAYKOBAVIJY-BBATYDOGSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575124030 952023236 /nfs/dbraw/zinc/02/32/36/952023236.db2.gz FGNVAYKOBAVIJY-ADLMAVQZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575124030 952023246 /nfs/dbraw/zinc/02/32/46/952023246.db2.gz FGNVAYKOBAVIJY-ADLMAVQZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575124988 952037047 /nfs/dbraw/zinc/03/70/47/952037047.db2.gz WGNIPUHSLIEOHT-GOSISDBHSA-N -1 3 386.460 0.291 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575124988 952037051 /nfs/dbraw/zinc/03/70/51/952037051.db2.gz WGNIPUHSLIEOHT-GOSISDBHSA-N -1 3 386.460 0.291 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575125204 952039853 /nfs/dbraw/zinc/03/98/53/952039853.db2.gz NJGOGUQHHWLMBV-SNVBAGLBSA-N -1 3 385.436 0.576 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575125204 952039858 /nfs/dbraw/zinc/03/98/58/952039858.db2.gz NJGOGUQHHWLMBV-SNVBAGLBSA-N -1 3 385.436 0.576 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575125360 952043513 /nfs/dbraw/zinc/04/35/13/952043513.db2.gz XWAKJUHMNMUHOM-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575125360 952043519 /nfs/dbraw/zinc/04/35/19/952043519.db2.gz XWAKJUHMNMUHOM-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575125541 952045519 /nfs/dbraw/zinc/04/55/19/952045519.db2.gz ZVMRVOFTZGJEBA-JSGCOSHPSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575125541 952045527 /nfs/dbraw/zinc/04/55/27/952045527.db2.gz ZVMRVOFTZGJEBA-JSGCOSHPSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575126541 952052117 /nfs/dbraw/zinc/05/21/17/952052117.db2.gz SKHWSHVSQLJDMQ-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575126541 952052128 /nfs/dbraw/zinc/05/21/28/952052128.db2.gz SKHWSHVSQLJDMQ-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575126610 952053405 /nfs/dbraw/zinc/05/34/05/952053405.db2.gz TWWVXDYQBMSGML-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575126610 952053412 /nfs/dbraw/zinc/05/34/12/952053412.db2.gz TWWVXDYQBMSGML-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575127345 952056866 /nfs/dbraw/zinc/05/68/66/952056866.db2.gz XXUHJELIKHXBLU-VXGBXAGGSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001575127345 952056869 /nfs/dbraw/zinc/05/68/69/952056869.db2.gz XXUHJELIKHXBLU-VXGBXAGGSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1nc2ncccn2n1 ZINC001575127568 952056970 /nfs/dbraw/zinc/05/69/70/952056970.db2.gz YLVUBQHEXCYJGN-JTQLQIEISA-N -1 3 379.388 0.272 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1nc2ncccn2n1 ZINC001575127568 952056974 /nfs/dbraw/zinc/05/69/74/952056974.db2.gz YLVUBQHEXCYJGN-JTQLQIEISA-N -1 3 379.388 0.272 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575127660 952058797 /nfs/dbraw/zinc/05/87/97/952058797.db2.gz ZTSRDHNAZHUFLW-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575127660 952058805 /nfs/dbraw/zinc/05/88/05/952058805.db2.gz ZTSRDHNAZHUFLW-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575128607 952068437 /nfs/dbraw/zinc/06/84/37/952068437.db2.gz KALLUICMRQRVRB-SNVBAGLBSA-N -1 3 384.400 0.455 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccoc1CC(N)=O ZINC001575128607 952068440 /nfs/dbraw/zinc/06/84/40/952068440.db2.gz KALLUICMRQRVRB-SNVBAGLBSA-N -1 3 384.400 0.455 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575128623 952070241 /nfs/dbraw/zinc/07/02/41/952070241.db2.gz KLWGYSVUTPZKGH-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575128623 952070248 /nfs/dbraw/zinc/07/02/48/952070248.db2.gz KLWGYSVUTPZKGH-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575129193 952077828 /nfs/dbraw/zinc/07/78/28/952077828.db2.gz QTFZJZOZDRNHAJ-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575129193 952077839 /nfs/dbraw/zinc/07/78/39/952077839.db2.gz QTFZJZOZDRNHAJ-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575129659 952084955 /nfs/dbraw/zinc/08/49/55/952084955.db2.gz YEJJLYYMSKPWDW-SNVBAGLBSA-N -1 3 385.436 0.576 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575129659 952084961 /nfs/dbraw/zinc/08/49/61/952084961.db2.gz YEJJLYYMSKPWDW-SNVBAGLBSA-N -1 3 385.436 0.576 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575131704 952087291 /nfs/dbraw/zinc/08/72/91/952087291.db2.gz AHOORICBCQWCLI-SNVBAGLBSA-N -1 3 386.420 0.279 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575131704 952087297 /nfs/dbraw/zinc/08/72/97/952087297.db2.gz AHOORICBCQWCLI-SNVBAGLBSA-N -1 3 386.420 0.279 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575131835 952088437 /nfs/dbraw/zinc/08/84/37/952088437.db2.gz BXKNGIURZJWNIJ-MNOVXSKESA-N -1 3 382.432 0.444 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575131833 952089319 /nfs/dbraw/zinc/08/93/19/952089319.db2.gz BXKNGIURZJWNIJ-GHMZBOCLSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575132797 952098855 /nfs/dbraw/zinc/09/88/55/952098855.db2.gz BEZLVYAOOFEBIN-JOYOIKCWSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575132797 952098863 /nfs/dbraw/zinc/09/88/63/952098863.db2.gz BEZLVYAOOFEBIN-JOYOIKCWSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575133389 952103575 /nfs/dbraw/zinc/10/35/75/952103575.db2.gz KJVVKIZKVBLVLN-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575133323 952104045 /nfs/dbraw/zinc/10/40/45/952104045.db2.gz DTXLDKPBTWPSPT-DDBGAENHSA-N -1 3 387.419 0.824 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575133323 952104050 /nfs/dbraw/zinc/10/40/50/952104050.db2.gz DTXLDKPBTWPSPT-DDBGAENHSA-N -1 3 387.419 0.824 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575137069 952134338 /nfs/dbraw/zinc/13/43/38/952134338.db2.gz SXESORDUCWOPJL-PXAZEXFGSA-N -1 3 389.391 0.811 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575137069 952134345 /nfs/dbraw/zinc/13/43/45/952134345.db2.gz SXESORDUCWOPJL-PXAZEXFGSA-N -1 3 389.391 0.811 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575137296 952136197 /nfs/dbraw/zinc/13/61/97/952136197.db2.gz WFUSDXJTYJMXPJ-GXFFZTMASA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575137296 952136199 /nfs/dbraw/zinc/13/61/99/952136199.db2.gz WFUSDXJTYJMXPJ-GXFFZTMASA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575137408 952138488 /nfs/dbraw/zinc/13/84/88/952138488.db2.gz XZRVRPXCXMRNPW-UGSOOPFHSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575137408 952138491 /nfs/dbraw/zinc/13/84/91/952138491.db2.gz XZRVRPXCXMRNPW-UGSOOPFHSA-N -1 3 387.419 0.981 20 0 GCADHM O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC001595169121 952217042 /nfs/dbraw/zinc/21/70/42/952217042.db2.gz BRFAEIRUQPZQCC-CVEARBPZSA-N -1 3 383.470 0.137 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575154738 952231283 /nfs/dbraw/zinc/23/12/83/952231283.db2.gz HPRMFGKJEDXMEX-SSDOTTSWSA-N -1 3 378.347 0.890 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575163327 952276278 /nfs/dbraw/zinc/27/62/78/952276278.db2.gz AKRNHRFTGAOAIR-PWSUYJOCSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575163327 952276285 /nfs/dbraw/zinc/27/62/85/952276285.db2.gz AKRNHRFTGAOAIR-PWSUYJOCSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575163326 952276732 /nfs/dbraw/zinc/27/67/32/952276732.db2.gz AKRNHRFTGAOAIR-JQWIXIFHSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575163326 952276739 /nfs/dbraw/zinc/27/67/39/952276739.db2.gz AKRNHRFTGAOAIR-JQWIXIFHSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575163771 952281754 /nfs/dbraw/zinc/28/17/54/952281754.db2.gz GCZVMMRFMBLHRG-BXKDBHETSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575163771 952281761 /nfs/dbraw/zinc/28/17/61/952281761.db2.gz GCZVMMRFMBLHRG-BXKDBHETSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1cn(C)ccc1=O ZINC001575164182 952289014 /nfs/dbraw/zinc/28/90/14/952289014.db2.gz JGARFLGVYAFOBR-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cn(C)ccc1=O ZINC001575164182 952289021 /nfs/dbraw/zinc/28/90/21/952289021.db2.gz JGARFLGVYAFOBR-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)CNC(=O)C1CC1 ZINC001575164244 952289670 /nfs/dbraw/zinc/28/96/70/952289670.db2.gz CKLKHKMJWACSQV-SECBINFHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)CNC(=O)C1CC1 ZINC001575164244 952289675 /nfs/dbraw/zinc/28/96/75/952289675.db2.gz CKLKHKMJWACSQV-SECBINFHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1cccc(=O)n1C ZINC001575164644 952295187 /nfs/dbraw/zinc/29/51/87/952295187.db2.gz MFJMRPBJEKFREZ-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cccc(=O)n1C ZINC001575164644 952295195 /nfs/dbraw/zinc/29/51/95/952295195.db2.gz MFJMRPBJEKFREZ-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)CN1CCCC1=O ZINC001575164707 952297722 /nfs/dbraw/zinc/29/77/22/952297722.db2.gz GTAMXNBTPVDFJG-JTQLQIEISA-N -1 3 392.851 0.796 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)CN1CCCC1=O ZINC001575164707 952297726 /nfs/dbraw/zinc/29/77/26/952297726.db2.gz GTAMXNBTPVDFJG-JTQLQIEISA-N -1 3 392.851 0.796 20 0 GCADHM C[C@@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)C1=COCCO1)C1CC1 ZINC001575164798 952299067 /nfs/dbraw/zinc/29/90/67/952299067.db2.gz HVJZXDPEVNJDIO-KRWDZBQOSA-N -1 3 389.391 0.986 20 0 GCADHM C[C@@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)C1=COCCO1)C1CC1 ZINC001575164798 952299072 /nfs/dbraw/zinc/29/90/72/952299072.db2.gz HVJZXDPEVNJDIO-KRWDZBQOSA-N -1 3 389.391 0.986 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1cnn(C)c1N ZINC001575164808 952299690 /nfs/dbraw/zinc/29/96/90/952299690.db2.gz HYWBGVIFAMIJDG-MRVPVSSYSA-N -1 3 390.839 0.803 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1cnn(C)c1N ZINC001575164808 952299701 /nfs/dbraw/zinc/29/97/01/952299701.db2.gz HYWBGVIFAMIJDG-MRVPVSSYSA-N -1 3 390.839 0.803 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)CCCC(N)=O ZINC001575164859 952300283 /nfs/dbraw/zinc/30/02/83/952300283.db2.gz IGBHVUXPIUAPTB-SECBINFHSA-N -1 3 380.840 0.830 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)CCCC(N)=O ZINC001575164859 952300290 /nfs/dbraw/zinc/30/02/90/952300290.db2.gz IGBHVUXPIUAPTB-SECBINFHSA-N -1 3 380.840 0.830 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575165000 952302735 /nfs/dbraw/zinc/30/27/35/952302735.db2.gz JEPQRTBCABRMCD-BXKDBHETSA-N -1 3 392.851 0.795 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575165000 952302744 /nfs/dbraw/zinc/30/27/44/952302744.db2.gz JEPQRTBCABRMCD-BXKDBHETSA-N -1 3 392.851 0.795 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001575165028 952303323 /nfs/dbraw/zinc/30/33/23/952303323.db2.gz QFXWJWZLGMZDJV-MRVPVSSYSA-N -1 3 375.368 0.413 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575165140 952304494 /nfs/dbraw/zinc/30/44/94/952304494.db2.gz LVNWYIAZXJPXID-VHSXEESVSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575165140 952304503 /nfs/dbraw/zinc/30/45/03/952304503.db2.gz LVNWYIAZXJPXID-VHSXEESVSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575165359 952308383 /nfs/dbraw/zinc/30/83/83/952308383.db2.gz NWVCWSHIPMXYTH-KWQFWETISA-N -1 3 378.824 0.453 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575165359 952308394 /nfs/dbraw/zinc/30/83/94/952308394.db2.gz NWVCWSHIPMXYTH-KWQFWETISA-N -1 3 378.824 0.453 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCN1CCCC1=O ZINC001575165424 952309319 /nfs/dbraw/zinc/30/93/19/952309319.db2.gz SRYLDZKVRJHTCQ-LLVKDONJSA-N -1 3 390.423 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCN1CCCC1=O ZINC001575165424 952309325 /nfs/dbraw/zinc/30/93/25/952309325.db2.gz SRYLDZKVRJHTCQ-LLVKDONJSA-N -1 3 390.423 0.672 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575165557 952310863 /nfs/dbraw/zinc/31/08/63/952310863.db2.gz OXIUXHZKZUXUBU-FVMDXXJSSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575165557 952310870 /nfs/dbraw/zinc/31/08/70/952310870.db2.gz OXIUXHZKZUXUBU-FVMDXXJSSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575165707 952314288 /nfs/dbraw/zinc/31/42/88/952314288.db2.gz VEYWQPYXKPXSQN-ZJUUUORDSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575165707 952314296 /nfs/dbraw/zinc/31/42/96/952314296.db2.gz VEYWQPYXKPXSQN-ZJUUUORDSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575165989 952318423 /nfs/dbraw/zinc/31/84/23/952318423.db2.gz XXAMZVKQHKTHBR-FZKQIMNGSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575165989 952318432 /nfs/dbraw/zinc/31/84/32/952318432.db2.gz XXAMZVKQHKTHBR-FZKQIMNGSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575166291 952323640 /nfs/dbraw/zinc/32/36/40/952323640.db2.gz UTRVKGMVKJBYHY-OIBJUYFYSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001575166291 952323646 /nfs/dbraw/zinc/32/36/46/952323646.db2.gz UTRVKGMVKJBYHY-OIBJUYFYSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CN1CCCCCC1=O ZINC001575168475 952342381 /nfs/dbraw/zinc/34/23/81/952342381.db2.gz MTXVDVCJXQLDLA-ZDUSSCGKSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575168475 952342389 /nfs/dbraw/zinc/34/23/89/952342389.db2.gz MTXVDVCJXQLDLA-ZDUSSCGKSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575170364 952354348 /nfs/dbraw/zinc/35/43/48/952354348.db2.gz YCIXNGXAKWQUJP-WCQYABFASA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575170364 952354353 /nfs/dbraw/zinc/35/43/53/952354353.db2.gz YCIXNGXAKWQUJP-WCQYABFASA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575184790 952423826 /nfs/dbraw/zinc/42/38/26/952423826.db2.gz CMDYCVNBQZJBJN-SNVBAGLBSA-N -1 3 386.503 0.157 20 0 GCADHM C[C@H](CS(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1CC1 ZINC001575185127 952429585 /nfs/dbraw/zinc/42/95/85/952429585.db2.gz LMIZYTWPVGRAGO-GFCCVEGCSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@H](CS(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1CC1 ZINC001575185127 952429589 /nfs/dbraw/zinc/42/95/89/952429589.db2.gz LMIZYTWPVGRAGO-GFCCVEGCSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001575185345 952433089 /nfs/dbraw/zinc/43/30/89/952433089.db2.gz PRXIJIVTDNKFFV-QWRGUYRKSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001575185345 952433095 /nfs/dbraw/zinc/43/30/95/952433095.db2.gz PRXIJIVTDNKFFV-QWRGUYRKSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575185678 952435563 /nfs/dbraw/zinc/43/55/63/952435563.db2.gz UMVAXXOMIVFVJX-ZJUUUORDSA-N 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ZINC001571115505 952468076 /nfs/dbraw/zinc/46/80/76/952468076.db2.gz XEYXOKHSMLWXTI-UHFFFAOYSA-N -1 3 375.366 0.998 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)C1=COCCO1 ZINC001571115640 952469265 /nfs/dbraw/zinc/46/92/65/952469265.db2.gz YXERFTXORAUTHA-BXKDBHETSA-N -1 3 375.364 0.690 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)C1=COCCO1 ZINC001571115640 952469270 /nfs/dbraw/zinc/46/92/70/952469270.db2.gz YXERFTXORAUTHA-BXKDBHETSA-N -1 3 375.364 0.690 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001575191825 952469993 /nfs/dbraw/zinc/46/99/93/952469993.db2.gz YVBWGUWYEDOGPJ-ZDUSSCGKSA-N -1 3 385.428 0.966 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001575191825 952469996 /nfs/dbraw/zinc/46/99/96/952469996.db2.gz YVBWGUWYEDOGPJ-ZDUSSCGKSA-N -1 3 385.428 0.966 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575195883 952472987 /nfs/dbraw/zinc/47/29/87/952472987.db2.gz CQJFZNGCTLNPLP-NEPJUHHUSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575195883 952472992 /nfs/dbraw/zinc/47/29/92/952472992.db2.gz CQJFZNGCTLNPLP-NEPJUHHUSA-N -1 3 383.412 0.997 20 0 GCADHM CO[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001571116628 952475355 /nfs/dbraw/zinc/47/53/55/952475355.db2.gz ARBGXLBVMBDNNB-JSGCOSHPSA-N -1 3 375.433 0.539 20 0 GCADHM CO[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001571116628 952475360 /nfs/dbraw/zinc/47/53/60/952475360.db2.gz ARBGXLBVMBDNNB-JSGCOSHPSA-N -1 3 375.433 0.539 20 0 GCADHM Cc1nsc(NCC[C@H]2CCN(C(=O)c3cnon3)C2)c1-c1nnn[n-]1 ZINC001571116668 952476459 /nfs/dbraw/zinc/47/64/59/952476459.db2.gz BUXZPVPFGYCXNX-VIFPVBQESA-N -1 3 375.418 0.979 20 0 GCADHM Cc1nc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)ccc1[C@H](C)O ZINC001571116644 952477256 /nfs/dbraw/zinc/47/72/56/952477256.db2.gz AYMQEFKNMLSKBR-JTQLQIEISA-N -1 3 375.414 0.497 20 0 GCADHM Cc1nc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)ccc1[C@H](C)O ZINC001571116644 952477260 /nfs/dbraw/zinc/47/72/60/952477260.db2.gz AYMQEFKNMLSKBR-JTQLQIEISA-N -1 3 375.414 0.497 20 0 GCADHM CCC(CC)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001571116827 952478725 /nfs/dbraw/zinc/47/87/25/952478725.db2.gz DEWNZVBHCQRXAB-GXTWGEPZSA-N -1 3 375.433 0.323 20 0 GCADHM CCC(CC)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001571116827 952478729 /nfs/dbraw/zinc/47/87/29/952478729.db2.gz DEWNZVBHCQRXAB-GXTWGEPZSA-N -1 3 375.433 0.323 20 0 GCADHM CCC(CC)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001571116829 952478736 /nfs/dbraw/zinc/47/87/36/952478736.db2.gz DEWNZVBHCQRXAB-OCCSQVGLSA-N -1 3 375.433 0.323 20 0 GCADHM CCC(CC)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001571116829 952478740 /nfs/dbraw/zinc/47/87/40/952478740.db2.gz DEWNZVBHCQRXAB-OCCSQVGLSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)c(=O)[nH]c1=O ZINC001571116845 952478797 /nfs/dbraw/zinc/47/87/97/952478797.db2.gz DVXVPHVZOPUTNK-UHFFFAOYSA-N -1 3 375.414 0.876 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)c(=O)[nH]c1=O ZINC001571116845 952478798 /nfs/dbraw/zinc/47/87/98/952478798.db2.gz DVXVPHVZOPUTNK-UHFFFAOYSA-N -1 3 375.414 0.876 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](F)C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571117178 952480375 /nfs/dbraw/zinc/48/03/75/952480375.db2.gz IBRNOTWJZOIEQX-FPQZTECRSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](F)C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571117178 952480379 /nfs/dbraw/zinc/48/03/79/952480379.db2.gz IBRNOTWJZOIEQX-FPQZTECRSA-N -1 3 375.408 0.958 20 0 GCADHM CSc1ccc(CNC(=O)CN2CCC(=O)NC2=O)cc1-c1nnn[n-]1 ZINC001571117307 952480567 /nfs/dbraw/zinc/48/05/67/952480567.db2.gz IUZHVNHFHXLHIC-UHFFFAOYSA-N -1 3 375.414 0.147 20 0 GCADHM CSc1ccc(CNC(=O)CN2CCC(=O)NC2=O)cc1-c1nn[n-]n1 ZINC001571117307 952480572 /nfs/dbraw/zinc/48/05/72/952480572.db2.gz IUZHVNHFHXLHIC-UHFFFAOYSA-N -1 3 375.414 0.147 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)c3[nH]c(=O)[nH]c3C)C2)c1-c1nnn[n-]1 ZINC001571117529 952482211 /nfs/dbraw/zinc/48/22/11/952482211.db2.gz MGPKFGUSZHVHQG-MRVPVSSYSA-N -1 3 375.418 0.695 20 0 GCADHM CN(C(=O)C[C@@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571117662 952482812 /nfs/dbraw/zinc/48/28/12/952482812.db2.gz OILGQMLGLVNSGP-JTQLQIEISA-N -1 3 375.458 0.240 20 0 GCADHM CC[C@@H](C)C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571117657 952482978 /nfs/dbraw/zinc/48/29/78/952482978.db2.gz OGESLWBYPYHHSC-DGCLKSJQSA-N -1 3 375.433 0.588 20 0 GCADHM CC[C@@H](C)C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571117657 952482986 /nfs/dbraw/zinc/48/29/86/952482986.db2.gz OGESLWBYPYHHSC-DGCLKSJQSA-N -1 3 375.433 0.588 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)c1cocn1 ZINC001571117601 952483133 /nfs/dbraw/zinc/48/31/33/952483133.db2.gz NTMXVSYWRMEVJA-CMPLNLGQSA-N -1 3 375.414 0.281 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](F)C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571117765 952484403 /nfs/dbraw/zinc/48/44/03/952484403.db2.gz QLVGGUZADQCRJM-AAXDQBDMSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](F)C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571117765 952484406 /nfs/dbraw/zinc/48/44/06/952484406.db2.gz QLVGGUZADQCRJM-AAXDQBDMSA-N -1 3 375.408 0.958 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575197573 952484542 /nfs/dbraw/zinc/48/45/42/952484542.db2.gz WYRLACUHSFAPRV-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575197573 952484545 /nfs/dbraw/zinc/48/45/45/952484545.db2.gz WYRLACUHSFAPRV-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)C1(F)CCOCC1 ZINC001571117756 952484556 /nfs/dbraw/zinc/48/45/56/952484556.db2.gz QFFZFCQYNODOJO-ZDUSSCGKSA-N -1 3 375.408 0.865 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)C1(F)CCOCC1 ZINC001571117756 952484558 /nfs/dbraw/zinc/48/45/58/952484558.db2.gz QFFZFCQYNODOJO-ZDUSSCGKSA-N -1 3 375.408 0.865 20 0 GCADHM CC(C)(O)CC(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571118040 952485766 /nfs/dbraw/zinc/48/57/66/952485766.db2.gz SIFKTOBKSVGMQV-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(O)CC(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571118040 952485769 /nfs/dbraw/zinc/48/57/69/952485769.db2.gz SIFKTOBKSVGMQV-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571118022 952485933 /nfs/dbraw/zinc/48/59/33/952485933.db2.gz RYDDRRSXERJVSZ-YVEFUNNKSA-N -1 3 375.408 0.784 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571118022 952485935 /nfs/dbraw/zinc/48/59/35/952485935.db2.gz RYDDRRSXERJVSZ-YVEFUNNKSA-N -1 3 375.408 0.784 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575197651 952486309 /nfs/dbraw/zinc/48/63/09/952486309.db2.gz YIOPJLCCAOMQPI-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575197651 952486312 /nfs/dbraw/zinc/48/63/12/952486312.db2.gz YIOPJLCCAOMQPI-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM CC[C@H](OC)C(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001571118084 952487424 /nfs/dbraw/zinc/48/74/24/952487424.db2.gz UNPFIHLAMHEUSE-GDLCADMTSA-N -1 3 375.408 0.863 20 0 GCADHM CC[C@H](OC)C(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001571118084 952487426 /nfs/dbraw/zinc/48/74/26/952487426.db2.gz UNPFIHLAMHEUSE-GDLCADMTSA-N -1 3 375.408 0.863 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575199309 952487902 /nfs/dbraw/zinc/48/79/02/952487902.db2.gz CCYJNFINTMEZIF-NEPJUHHUSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575199309 952487906 /nfs/dbraw/zinc/48/79/06/952487906.db2.gz CCYJNFINTMEZIF-NEPJUHHUSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575199241 952488531 /nfs/dbraw/zinc/48/85/31/952488531.db2.gz ASFGTUXOUOPQEH-UNXYVOJBSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575199241 952488538 /nfs/dbraw/zinc/48/85/38/952488538.db2.gz ASFGTUXOUOPQEH-UNXYVOJBSA-N -1 3 382.432 0.565 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)C1 ZINC001571118560 952488769 /nfs/dbraw/zinc/48/87/69/952488769.db2.gz XCYCLRYFJPOSFK-SNVBAGLBSA-N -1 3 375.458 0.654 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)C1 ZINC001571118560 952488773 /nfs/dbraw/zinc/48/87/73/952488773.db2.gz XCYCLRYFJPOSFK-SNVBAGLBSA-N -1 3 375.458 0.654 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575199271 952488943 /nfs/dbraw/zinc/48/89/43/952488943.db2.gz BDJOFYMZXRPPAE-WFASDCNBSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575199271 952488944 /nfs/dbraw/zinc/48/89/44/952488944.db2.gz BDJOFYMZXRPPAE-WFASDCNBSA-N -1 3 381.444 0.887 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC001571118749 952489626 /nfs/dbraw/zinc/48/96/26/952489626.db2.gz ZSUNCJHZCQVLMD-DGCLKSJQSA-N -1 3 375.408 0.865 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC001571118749 952489630 /nfs/dbraw/zinc/48/96/30/952489630.db2.gz ZSUNCJHZCQVLMD-DGCLKSJQSA-N -1 3 375.408 0.865 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575199661 952490058 /nfs/dbraw/zinc/49/00/58/952490058.db2.gz DUFIDNXWYGOVDJ-SWLSCSKDSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575199661 952490062 /nfs/dbraw/zinc/49/00/62/952490062.db2.gz DUFIDNXWYGOVDJ-SWLSCSKDSA-N -1 3 381.444 0.569 20 0 GCADHM COCC(=O)N1CCOC2(CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)C1 ZINC001571119435 952491197 /nfs/dbraw/zinc/49/11/97/952491197.db2.gz AUTOXWCUQZKEDJ-UHFFFAOYSA-N -1 3 376.392 0.065 20 0 GCADHM COCC(=O)N1CCOC2(CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)C1 ZINC001571119435 952491200 /nfs/dbraw/zinc/49/12/00/952491200.db2.gz AUTOXWCUQZKEDJ-UHFFFAOYSA-N -1 3 376.392 0.065 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575200352 952495583 /nfs/dbraw/zinc/49/55/83/952495583.db2.gz IUSHHKXQCKOBJU-CYBMUJFWSA-N -1 3 395.471 0.959 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575200352 952495588 /nfs/dbraw/zinc/49/55/88/952495588.db2.gz IUSHHKXQCKOBJU-CYBMUJFWSA-N -1 3 395.471 0.959 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N2CCOCCN2)cc1-c1nnn[n-]1 ZINC001571119924 952497431 /nfs/dbraw/zinc/49/74/31/952497431.db2.gz HBCGEHMLHQTIBX-UHFFFAOYSA-N -1 3 376.377 0.804 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N2CCOCCN2)cc1-c1nn[n-]n1 ZINC001571119924 952497435 /nfs/dbraw/zinc/49/74/35/952497435.db2.gz HBCGEHMLHQTIBX-UHFFFAOYSA-N -1 3 376.377 0.804 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)C1CC(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200687 952497912 /nfs/dbraw/zinc/49/79/12/952497912.db2.gz DZVQULJUAJDBRK-XSRFYTQQSA-N -1 3 382.432 0.082 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200687 952497918 /nfs/dbraw/zinc/49/79/18/952497918.db2.gz DZVQULJUAJDBRK-XSRFYTQQSA-N -1 3 382.432 0.082 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200873 952499801 /nfs/dbraw/zinc/49/98/01/952499801.db2.gz MFYPDBLWFAXFHQ-SDDRHHMPSA-N -1 3 382.432 0.565 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@@H]1COCCO1 ZINC001571120248 952501522 /nfs/dbraw/zinc/50/15/22/952501522.db2.gz KKVBCANTDQFSOB-ZFWWWQNUSA-N -1 3 376.392 0.112 20 0 GCADHM O=C(CN1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1sccc1-c1nnn[n-]1 ZINC001571120378 952501780 /nfs/dbraw/zinc/50/17/80/952501780.db2.gz KSFBICZEHOWKQC-IONNQARKSA-N -1 3 376.364 0.969 20 0 GCADHM O=C(CN1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1sccc1-c1nn[n-]n1 ZINC001571120378 952501787 /nfs/dbraw/zinc/50/17/87/952501787.db2.gz KSFBICZEHOWKQC-IONNQARKSA-N -1 3 376.364 0.969 20 0 GCADHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(c2ncncc2-c2nnn[n-]2)C1 ZINC001571120407 952503353 /nfs/dbraw/zinc/50/33/53/952503353.db2.gz MMXVGLDWIJAZGV-MRXNPFEDSA-N -1 3 376.421 0.513 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)cn1 ZINC001571120411 952503882 /nfs/dbraw/zinc/50/38/82/952503882.db2.gz MNGOGHKACSIHHP-QLPKVWCKSA-N -1 3 376.424 0.759 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)cn1 ZINC001571120411 952503884 /nfs/dbraw/zinc/50/38/84/952503884.db2.gz MNGOGHKACSIHHP-QLPKVWCKSA-N -1 3 376.424 0.759 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575201453 952504049 /nfs/dbraw/zinc/50/40/49/952504049.db2.gz PIZALQUCJWBGSZ-NSHDSACASA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575201453 952504059 /nfs/dbraw/zinc/50/40/59/952504059.db2.gz PIZALQUCJWBGSZ-NSHDSACASA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575201524 952505542 /nfs/dbraw/zinc/50/55/42/952505542.db2.gz PQYZMNNATLAOKS-JSGCOSHPSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575201524 952505546 /nfs/dbraw/zinc/50/55/46/952505546.db2.gz PQYZMNNATLAOKS-JSGCOSHPSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575201527 952505826 /nfs/dbraw/zinc/50/58/26/952505826.db2.gz PQYZMNNATLAOKS-OCCSQVGLSA-N -1 3 381.444 0.569 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575201527 952505834 /nfs/dbraw/zinc/50/58/34/952505834.db2.gz PQYZMNNATLAOKS-OCCSQVGLSA-N -1 3 381.444 0.569 20 0 GCADHM CN(C(=O)[C@@H]1COCCO1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571120729 952506949 /nfs/dbraw/zinc/50/69/49/952506949.db2.gz PAWMJIWAJHLVKX-HNNXBMFYSA-N -1 3 376.392 0.064 20 0 GCADHM CN(C(=O)[C@@H]1COCCO1)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571120729 952506955 /nfs/dbraw/zinc/50/69/55/952506955.db2.gz PAWMJIWAJHLVKX-HNNXBMFYSA-N -1 3 376.392 0.064 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575201640 952507648 /nfs/dbraw/zinc/50/76/48/952507648.db2.gz JHTLPGGGXSVVTJ-GTNSWQLSSA-N -1 3 382.432 0.344 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](CO)[C@@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC001571120778 952508805 /nfs/dbraw/zinc/50/88/05/952508805.db2.gz QZVDOYSUFFDTQX-TZMCWYRMSA-N -1 3 376.417 0.462 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](CO)[C@@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC001571120778 952508808 /nfs/dbraw/zinc/50/88/08/952508808.db2.gz QZVDOYSUFFDTQX-TZMCWYRMSA-N -1 3 376.417 0.462 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)s1)[C@H]1COCCN1CC(F)(F)F ZINC001571120946 952511096 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GCADHM O=C(c1ncccn1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571127111 952550457 /nfs/dbraw/zinc/55/04/57/952550457.db2.gz GJWRHGZQVBCSJR-UONOGXRCSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ncccn1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571127111 952550461 /nfs/dbraw/zinc/55/04/61/952550461.db2.gz GJWRHGZQVBCSJR-UONOGXRCSA-N -1 3 377.412 0.935 20 0 GCADHM CCOC(=O)[C@@H]1[C@@H]2CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)C[C@@H]21 ZINC001571127090 952550580 /nfs/dbraw/zinc/55/05/80/952550580.db2.gz FXBPZIBGZHKJSQ-HZSPNIEDSA-N -1 3 377.426 0.686 20 0 GCADHM CCOC(=O)[C@@H]1[C@@H]2CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)C[C@@H]21 ZINC001571127090 952550582 /nfs/dbraw/zinc/55/05/82/952550582.db2.gz FXBPZIBGZHKJSQ-HZSPNIEDSA-N -1 3 377.426 0.686 20 0 GCADHM CC(F)(F)C(=O)N1CCN(C2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001575212588 952555456 /nfs/dbraw/zinc/55/54/56/952555456.db2.gz KOHNBRZBSZZEHL-UHFFFAOYSA-N -1 3 391.426 0.850 20 0 GCADHM CC(F)(F)C(=O)N[C@H]1CC12CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC001575213342 952557812 /nfs/dbraw/zinc/55/78/12/952557812.db2.gz SLMLDAGYPLVKRJ-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N[C@H]1CC12CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC001575213342 952557821 /nfs/dbraw/zinc/55/78/21/952557821.db2.gz SLMLDAGYPLVKRJ-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nnn[n-]1)C2)c1cncnc1 ZINC001571127735 952559462 /nfs/dbraw/zinc/55/94/62/952559462.db2.gz MKHUTKRKEXPIKI-YUTCNCBUSA-N -1 3 377.412 0.839 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nn[n-]n1)C2)c1cncnc1 ZINC001571127735 952559464 /nfs/dbraw/zinc/55/94/64/952559464.db2.gz MKHUTKRKEXPIKI-YUTCNCBUSA-N -1 3 377.412 0.839 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575213753 952560150 /nfs/dbraw/zinc/56/01/50/952560150.db2.gz UETUWYAPWKEGQI-QFYYESIMSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575213753 952560152 /nfs/dbraw/zinc/56/01/52/952560152.db2.gz UETUWYAPWKEGQI-QFYYESIMSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575213897 952561456 /nfs/dbraw/zinc/56/14/56/952561456.db2.gz WJRJWMXFAUZRND-UHFFFAOYSA-N -1 3 383.359 0.245 20 0 GCADHM CC(F)(F)C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575213897 952561458 /nfs/dbraw/zinc/56/14/58/952561458.db2.gz WJRJWMXFAUZRND-UHFFFAOYSA-N -1 3 383.359 0.245 20 0 GCADHM CS(=O)(=O)N1CC(C(=O)Nc2cc(-c3nn[n-]n3)ccc2NC2CC2)C1 ZINC001571128456 952567424 /nfs/dbraw/zinc/56/74/24/952567424.db2.gz SUMBDWVRWSCCAU-UHFFFAOYSA-N -1 3 377.430 0.271 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001575215481 952567682 /nfs/dbraw/zinc/56/76/82/952567682.db2.gz UMFKSSOEMGMCHE-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001575215481 952567687 /nfs/dbraw/zinc/56/76/87/952567687.db2.gz UMFKSSOEMGMCHE-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)c1n[nH]c2c1CCC2 ZINC001571129026 952572701 /nfs/dbraw/zinc/57/27/01/952572701.db2.gz ZLMRORCWTWPARB-JYAVWHMHSA-N -1 3 377.412 0.338 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)c1n[nH]c2c1CCC2 ZINC001571129026 952572707 /nfs/dbraw/zinc/57/27/07/952572707.db2.gz ZLMRORCWTWPARB-JYAVWHMHSA-N -1 3 377.412 0.338 20 0 GCADHM O=S(=O)(NC[C@H](O)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cn1 ZINC001571129155 952572880 /nfs/dbraw/zinc/57/28/80/952572880.db2.gz AEKKMCQUXZUWHV-GFCCVEGCSA-N -1 3 378.389 0.283 20 0 GCADHM O=S(=O)(NC[C@H](O)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cn1 ZINC001571129155 952572882 /nfs/dbraw/zinc/57/28/82/952572882.db2.gz AEKKMCQUXZUWHV-GFCCVEGCSA-N -1 3 378.389 0.283 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl)[S@](C)=O ZINC001571129318 952574075 /nfs/dbraw/zinc/57/40/75/952574075.db2.gz CIWXXQWFTJMJKF-ZCAPAMDOSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl)[S@](C)=O ZINC001571129318 952574078 /nfs/dbraw/zinc/57/40/78/952574078.db2.gz CIWXXQWFTJMJKF-ZCAPAMDOSA-N -1 3 377.879 0.956 20 0 GCADHM CN1C(=O)c2ccccc2[C@@H]1CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571129484 952575193 /nfs/dbraw/zinc/57/51/93/952575193.db2.gz DYQHTHCQPFIMEY-AWEZNQCLSA-N -1 3 378.396 0.617 20 0 GCADHM CN1C(=O)c2ccccc2[C@@H]1CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571129484 952575194 /nfs/dbraw/zinc/57/51/94/952575194.db2.gz DYQHTHCQPFIMEY-AWEZNQCLSA-N -1 3 378.396 0.617 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(=O)[nH]c2)n1 ZINC001571130028 952578272 /nfs/dbraw/zinc/57/82/72/952578272.db2.gz NEJDUUVDTCQNDK-STQMWFEESA-N -1 3 378.396 0.774 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(=O)[nH]c2)n1 ZINC001571130028 952578273 /nfs/dbraw/zinc/57/82/73/952578273.db2.gz NEJDUUVDTCQNDK-STQMWFEESA-N -1 3 378.396 0.774 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cc[nH]c(=O)c2)ccc1-c1nnn[n-]1 ZINC001571130946 952583656 /nfs/dbraw/zinc/58/36/56/952583656.db2.gz ZMIBRRCVWPSUCM-STQMWFEESA-N -1 3 378.396 0.774 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cc[nH]c(=O)c2)ccc1-c1nn[n-]n1 ZINC001571130946 952583659 /nfs/dbraw/zinc/58/36/59/952583659.db2.gz ZMIBRRCVWPSUCM-STQMWFEESA-N -1 3 378.396 0.774 20 0 GCADHM O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ncc2c(c1-c1nnn[n-]1)COCC2 ZINC001571135713 952608183 /nfs/dbraw/zinc/60/81/83/952608183.db2.gz BNRGJGKWEMYCTJ-VIFPVBQESA-N -1 3 378.414 0.098 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)c1ccc(=O)[nH]c1 ZINC001571136805 952615810 /nfs/dbraw/zinc/61/58/10/952615810.db2.gz WNHFEZXRCYYOCQ-XBFCOCLRSA-N -1 3 378.396 0.902 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)c1ccc(=O)[nH]c1 ZINC001571136805 952615817 /nfs/dbraw/zinc/61/58/17/952615817.db2.gz WNHFEZXRCYYOCQ-XBFCOCLRSA-N -1 3 378.396 0.902 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)[C@H]1CCC(F)(F)C1 ZINC001571139282 952619265 /nfs/dbraw/zinc/61/92/65/952619265.db2.gz FBMHPKXWRSPBRM-MVWJERBFSA-N -1 3 379.371 0.363 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)[C@H]1CCC(F)(F)C1 ZINC001571139282 952619271 /nfs/dbraw/zinc/61/92/71/952619271.db2.gz FBMHPKXWRSPBRM-MVWJERBFSA-N -1 3 379.371 0.363 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571139322 952620158 /nfs/dbraw/zinc/62/01/58/952620158.db2.gz FUVMABBNEXTZJG-KOLCDFICSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571139322 952620161 /nfs/dbraw/zinc/62/01/61/952620161.db2.gz FUVMABBNEXTZJG-KOLCDFICSA-N -1 3 379.371 0.771 20 0 GCADHM Cn1cc(C(=O)CNS(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC001571139373 952620166 /nfs/dbraw/zinc/62/01/66/952620166.db2.gz GVAUGAVGAGPRJO-UHFFFAOYSA-N -1 3 379.377 0.042 20 0 GCADHM Cn1cc(C(=O)CNS(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC001571139373 952620170 /nfs/dbraw/zinc/62/01/70/952620170.db2.gz GVAUGAVGAGPRJO-UHFFFAOYSA-N -1 3 379.377 0.042 20 0 GCADHM CC(F)(F)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571139445 952620230 /nfs/dbraw/zinc/62/02/30/952620230.db2.gz HSPZKUAIMXYOBD-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571139445 952620232 /nfs/dbraw/zinc/62/02/32/952620232.db2.gz HSPZKUAIMXYOBD-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC001571139612 952620990 /nfs/dbraw/zinc/62/09/90/952620990.db2.gz JVQXDGDZIKXQQD-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC001571139612 952620993 /nfs/dbraw/zinc/62/09/93/952620993.db2.gz JVQXDGDZIKXQQD-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)CN1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571140006 952622148 /nfs/dbraw/zinc/62/21/48/952622148.db2.gz MYVBTTMFQZLJNF-UHFFFAOYSA-N -1 3 379.415 0.756 20 0 GCADHM CC(F)(F)CN1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571140006 952622151 /nfs/dbraw/zinc/62/21/51/952622151.db2.gz MYVBTTMFQZLJNF-UHFFFAOYSA-N -1 3 379.415 0.756 20 0 GCADHM CN1N=C(C(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)CCC1=O ZINC001571140008 952622416 /nfs/dbraw/zinc/62/24/16/952622416.db2.gz NALIRWFLZZTLFA-UHFFFAOYSA-N -1 3 379.384 0.658 20 0 GCADHM CN1N=C(C(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)CCC1=O ZINC001571140008 952622425 /nfs/dbraw/zinc/62/24/25/952622425.db2.gz NALIRWFLZZTLFA-UHFFFAOYSA-N -1 3 379.384 0.658 20 0 GCADHM CN(C(=O)[C@@]1(F)CCOC1)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571139902 952622677 /nfs/dbraw/zinc/62/26/77/952622677.db2.gz KSYZWOLPGUIZMV-MEDUHNTESA-N -1 3 379.371 0.567 20 0 GCADHM CN(C(=O)[C@@]1(F)CCOC1)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571139902 952622681 /nfs/dbraw/zinc/62/26/81/952622681.db2.gz KSYZWOLPGUIZMV-MEDUHNTESA-N -1 3 379.371 0.567 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001571140279 952624756 /nfs/dbraw/zinc/62/47/56/952624756.db2.gz PKYHFJQSGSRJLS-QWRGUYRKSA-N -1 3 379.371 0.913 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001571140279 952624757 /nfs/dbraw/zinc/62/47/57/952624757.db2.gz PKYHFJQSGSRJLS-QWRGUYRKSA-N -1 3 379.371 0.913 20 0 GCADHM O=C(N[C@@H]1COC2(CN(Cc3ccccc3)C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571140608 952627389 /nfs/dbraw/zinc/62/73/89/952627389.db2.gz DBVYGDNMBWXNEM-HNNXBMFYSA-N -1 3 379.424 0.968 20 0 GCADHM O=C(N[C@@H]1COC2(CN(Cc3ccccc3)C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571140608 952627396 /nfs/dbraw/zinc/62/73/96/952627396.db2.gz DBVYGDNMBWXNEM-HNNXBMFYSA-N -1 3 379.424 0.968 20 0 GCADHM Cc1cccc(CC(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)c1 ZINC001571140795 952628417 /nfs/dbraw/zinc/62/84/17/952628417.db2.gz GQLNLSKSJUQWHW-CVEARBPZSA-N -1 3 379.424 0.479 20 0 GCADHM Cc1cccc(CC(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)c1 ZINC001571140795 952628422 /nfs/dbraw/zinc/62/84/22/952628422.db2.gz GQLNLSKSJUQWHW-CVEARBPZSA-N -1 3 379.424 0.479 20 0 GCADHM O=C(NCCN1Cc2ccccc2OCC1=O)c1cnccc1-c1nnn[n-]1 ZINC001571140823 952629600 /nfs/dbraw/zinc/62/96/00/952629600.db2.gz ULVAGKQBOZRTNR-UHFFFAOYSA-N -1 3 379.380 0.413 20 0 GCADHM O=C(NCCN1Cc2ccccc2OCC1=O)c1cnccc1-c1nn[n-]n1 ZINC001571140823 952629603 /nfs/dbraw/zinc/62/96/03/952629603.db2.gz ULVAGKQBOZRTNR-UHFFFAOYSA-N -1 3 379.380 0.413 20 0 GCADHM CCN1C[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2Br)CC1=O ZINC001571141065 952630296 /nfs/dbraw/zinc/63/02/96/952630296.db2.gz GGMGUQRWGQCRSP-QMMMGPOBSA-N -1 3 379.218 0.980 20 0 GCADHM CCN1C[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2Br)CC1=O ZINC001571141065 952630299 /nfs/dbraw/zinc/63/02/99/952630299.db2.gz GGMGUQRWGQCRSP-QMMMGPOBSA-N -1 3 379.218 0.980 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1)[C@@H]1CC1(F)F ZINC001571141325 952633064 /nfs/dbraw/zinc/63/30/64/952633064.db2.gz XMMFQPTTYCACPA-NEPJUHHUSA-N -1 3 379.371 0.628 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1)[C@@H]1CC1(F)F ZINC001571141325 952633068 /nfs/dbraw/zinc/63/30/68/952633068.db2.gz XMMFQPTTYCACPA-NEPJUHHUSA-N -1 3 379.371 0.628 20 0 GCADHM O=C(CCc1cnccn1)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571141514 952633621 /nfs/dbraw/zinc/63/36/21/952633621.db2.gz HSKCJDFBDKGFMA-UHFFFAOYSA-N -1 3 378.440 0.934 20 0 GCADHM O=C(CCc1cnccn1)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571141514 952633624 /nfs/dbraw/zinc/63/36/24/952633624.db2.gz HSKCJDFBDKGFMA-UHFFFAOYSA-N -1 3 378.440 0.934 20 0 GCADHM O=C(NC[C@]12CCC[C@H]1CN(C(=O)C(F)F)C2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571141675 952634737 /nfs/dbraw/zinc/63/47/37/952634737.db2.gz YOEBIDJWKOSFGB-QFYYESIMSA-N -1 3 379.371 0.818 20 0 GCADHM O=C(NC[C@]12CCC[C@H]1CN(C(=O)C(F)F)C2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571141675 952634739 /nfs/dbraw/zinc/63/47/39/952634739.db2.gz YOEBIDJWKOSFGB-QFYYESIMSA-N -1 3 379.371 0.818 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC(F)(F)C1 ZINC001571141682 952634936 /nfs/dbraw/zinc/63/49/36/952634936.db2.gz YSAFYQLQEQYSQY-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC(F)(F)C1 ZINC001571141682 952634938 /nfs/dbraw/zinc/63/49/38/952634938.db2.gz YSAFYQLQEQYSQY-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC001571141624 952635133 /nfs/dbraw/zinc/63/51/33/952635133.db2.gz JEDLTBARNFOWGH-RAIGVLPGSA-N -1 3 378.458 0.280 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC001571141624 952635136 /nfs/dbraw/zinc/63/51/36/952635136.db2.gz JEDLTBARNFOWGH-RAIGVLPGSA-N -1 3 378.458 0.280 20 0 GCADHM CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571142504 952643076 /nfs/dbraw/zinc/64/30/76/952643076.db2.gz SJWKPIUOFFUXKB-DDTOSNHZSA-N -1 3 378.458 0.694 20 0 GCADHM CC(C)[C@@H]1C[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571142504 952643079 /nfs/dbraw/zinc/64/30/79/952643079.db2.gz SJWKPIUOFFUXKB-DDTOSNHZSA-N -1 3 378.458 0.694 20 0 GCADHM O=C(CCc1ncccn1)N1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571142695 952645068 /nfs/dbraw/zinc/64/50/68/952645068.db2.gz VTFDJOAUFHBBLX-UHFFFAOYSA-N -1 3 378.440 0.934 20 0 GCADHM O=C(CCc1ncccn1)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571142695 952645071 /nfs/dbraw/zinc/64/50/71/952645071.db2.gz VTFDJOAUFHBBLX-UHFFFAOYSA-N -1 3 378.440 0.934 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)c1 ZINC001571146046 952647325 /nfs/dbraw/zinc/64/73/25/952647325.db2.gz AXKYIRDUECDFJO-DZGCQCFKSA-N -1 3 379.428 0.736 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)c1 ZINC001571146046 952647328 /nfs/dbraw/zinc/64/73/28/952647328.db2.gz AXKYIRDUECDFJO-DZGCQCFKSA-N -1 3 379.428 0.736 20 0 GCADHM O=C([C@@H]1CCn2ccnc2C1)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571146256 952647808 /nfs/dbraw/zinc/64/78/08/952647808.db2.gz FEWRQMFOVYFJLZ-OLZOCXBDSA-N -1 3 379.428 0.734 20 0 GCADHM O=C([C@@H]1CCn2ccnc2C1)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571146256 952647812 /nfs/dbraw/zinc/64/78/12/952647812.db2.gz FEWRQMFOVYFJLZ-OLZOCXBDSA-N -1 3 379.428 0.734 20 0 GCADHM Cn1cncc1C(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571146376 952648793 /nfs/dbraw/zinc/64/87/93/952648793.db2.gz HCXKUGUTTOSCEB-KBPBESRZSA-N -1 3 379.428 0.736 20 0 GCADHM Cn1cncc1C(=O)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571146376 952648795 /nfs/dbraw/zinc/64/87/95/952648795.db2.gz HCXKUGUTTOSCEB-KBPBESRZSA-N -1 3 379.428 0.736 20 0 GCADHM O=C(Cn1ccnc1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571146335 952649227 /nfs/dbraw/zinc/64/92/27/952649227.db2.gz GGOQBHDFMBJMKE-CRAIPNDOSA-N -1 3 379.428 0.776 20 0 GCADHM O=C(Cn1ccnc1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571146335 952649229 /nfs/dbraw/zinc/64/92/29/952649229.db2.gz GGOQBHDFMBJMKE-CRAIPNDOSA-N -1 3 379.428 0.776 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncnc3c2CCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571146497 952649434 /nfs/dbraw/zinc/64/94/34/952649434.db2.gz HRPIMRUMBZJWKX-GFCCVEGCSA-N -1 3 379.428 0.872 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncnc3c2CCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571146497 952649437 /nfs/dbraw/zinc/64/94/37/952649437.db2.gz HRPIMRUMBZJWKX-GFCCVEGCSA-N -1 3 379.428 0.872 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571146827 952653325 /nfs/dbraw/zinc/65/33/25/952653325.db2.gz NGTRNKSOCUCHJS-UONOGXRCSA-N -1 3 379.428 0.879 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571146827 952653328 /nfs/dbraw/zinc/65/33/28/952653328.db2.gz NGTRNKSOCUCHJS-UONOGXRCSA-N -1 3 379.428 0.879 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC001571146869 952654258 /nfs/dbraw/zinc/65/42/58/952654258.db2.gz OKPSRBOWIISBGT-DGCLKSJQSA-N -1 3 379.428 0.485 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC001571146869 952654259 /nfs/dbraw/zinc/65/42/59/952654259.db2.gz OKPSRBOWIISBGT-DGCLKSJQSA-N -1 3 379.428 0.485 20 0 GCADHM O=C(Cc1ncc[nH]1)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571146911 952654720 /nfs/dbraw/zinc/65/47/20/952654720.db2.gz PQXLFPUNQGRCDT-AWEZNQCLSA-N -1 3 379.428 0.703 20 0 GCADHM O=C(Cc1ncc[nH]1)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571146911 952654724 /nfs/dbraw/zinc/65/47/24/952654724.db2.gz PQXLFPUNQGRCDT-AWEZNQCLSA-N -1 3 379.428 0.703 20 0 GCADHM O=C([C@@H]1CCc2cncn2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571147100 952656075 /nfs/dbraw/zinc/65/60/75/952656075.db2.gz SWHMBXDJVTXHPR-KGLIPLIRSA-N -1 3 379.428 0.734 20 0 GCADHM O=C([C@@H]1CCc2cncn2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571147100 952656080 /nfs/dbraw/zinc/65/60/80/952656080.db2.gz SWHMBXDJVTXHPR-KGLIPLIRSA-N -1 3 379.428 0.734 20 0 GCADHM Cn1nc2c(c1C(=O)N1CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C1)CCC2 ZINC001571147255 952658621 /nfs/dbraw/zinc/65/86/21/952658621.db2.gz VUODUUPDQQBXGF-GFCCVEGCSA-N -1 3 379.428 0.811 20 0 GCADHM Cn1nc2c(c1C(=O)N1CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C1)CCC2 ZINC001571147255 952658625 /nfs/dbraw/zinc/65/86/25/952658625.db2.gz VUODUUPDQQBXGF-GFCCVEGCSA-N -1 3 379.428 0.811 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCn2cncc2C1 ZINC001571147467 952662004 /nfs/dbraw/zinc/66/20/04/952662004.db2.gz ZCNYFKYQFIKRLE-CHWSQXEVSA-N -1 3 379.428 0.416 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCn2cncc2C1 ZINC001571147467 952662007 /nfs/dbraw/zinc/66/20/07/952662007.db2.gz ZCNYFKYQFIKRLE-CHWSQXEVSA-N -1 3 379.428 0.416 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)CCc2ccncn2)C1 ZINC001571147553 952662558 /nfs/dbraw/zinc/66/25/58/952662558.db2.gz NPVRZGQCLOISTO-AWEZNQCLSA-N -1 3 379.428 0.722 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)CCc2ccncn2)C1 ZINC001571147553 952662561 /nfs/dbraw/zinc/66/25/61/952662561.db2.gz NPVRZGQCLOISTO-AWEZNQCLSA-N -1 3 379.428 0.722 20 0 GCADHM CN(c1ncnc2c1CCC2)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571147980 952664667 /nfs/dbraw/zinc/66/46/67/952664667.db2.gz SHOAMXPZWMHOHE-LBPRGKRZSA-N -1 3 379.428 0.824 20 0 GCADHM CN(c1ncnc2c1CCC2)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571147980 952664668 /nfs/dbraw/zinc/66/46/68/952664668.db2.gz SHOAMXPZWMHOHE-LBPRGKRZSA-N -1 3 379.428 0.824 20 0 GCADHM CN(C)c1ccnc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC001571148309 952666311 /nfs/dbraw/zinc/66/63/11/952666311.db2.gz YGKJDRKQXPBADP-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM CN(C)c1ccnc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC001571148309 952666312 /nfs/dbraw/zinc/66/63/12/952666312.db2.gz YGKJDRKQXPBADP-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3nnn[n-]3)cc(C)n2)CC1 ZINC001571150487 952668454 /nfs/dbraw/zinc/66/84/54/952668454.db2.gz BVRJQXXXGXRZSF-UHFFFAOYSA-N -1 3 379.446 0.570 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3nn[n-]n3)cc(C)n2)CC1 ZINC001571150487 952668456 /nfs/dbraw/zinc/66/84/56/952668456.db2.gz BVRJQXXXGXRZSF-UHFFFAOYSA-N -1 3 379.446 0.570 20 0 GCADHM Cc1c(NC(=O)N2CCCC[C@H]2CS(N)(=O)=O)cccc1-c1nnn[n-]1 ZINC001571150609 952669815 /nfs/dbraw/zinc/66/98/15/952669815.db2.gz CTSWLNKLGDXTLZ-NSHDSACASA-N -1 3 379.446 0.850 20 0 GCADHM Cc1c(NC(=O)N2CCCC[C@H]2CS(N)(=O)=O)cccc1-c1nn[n-]n1 ZINC001571150609 952669819 /nfs/dbraw/zinc/66/98/19/952669819.db2.gz CTSWLNKLGDXTLZ-NSHDSACASA-N -1 3 379.446 0.850 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)n1 ZINC001571150875 952671225 /nfs/dbraw/zinc/67/12/25/952671225.db2.gz HZUDOEKDDGKBMW-QWRGUYRKSA-N -1 3 379.446 0.016 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)[C@H](C)S(C)(=O)=O)C2)n1 ZINC001571150875 952671228 /nfs/dbraw/zinc/67/12/28/952671228.db2.gz HZUDOEKDDGKBMW-QWRGUYRKSA-N -1 3 379.446 0.016 20 0 GCADHM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC001571151635 952677222 /nfs/dbraw/zinc/67/72/22/952677222.db2.gz SGNVBWRBACODRK-GFCCVEGCSA-N -1 3 379.446 0.257 20 0 GCADHM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC001571151635 952677225 /nfs/dbraw/zinc/67/72/25/952677225.db2.gz SGNVBWRBACODRK-GFCCVEGCSA-N -1 3 379.446 0.257 20 0 GCADHM Cc1nsc(N2CC[C@](C)(NC(=O)[C@@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571151767 952678322 /nfs/dbraw/zinc/67/83/22/952678322.db2.gz WYVZDVSJQDZPJX-BONVTDFDSA-N -1 3 379.446 0.132 20 0 GCADHM Cc1nsc(N2CC[C@@](C)(NC(=O)[C@@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571151769 952679062 /nfs/dbraw/zinc/67/90/62/952679062.db2.gz WYVZDVSJQDZPJX-ZUZCIYMTSA-N -1 3 379.446 0.132 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@H]1COCCO1 ZINC001571152563 952682213 /nfs/dbraw/zinc/68/22/13/952682213.db2.gz GUYAYBVUUJBABI-CKYFFXLPSA-N -1 3 379.808 0.390 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@H]1COCCO1 ZINC001571152563 952682215 /nfs/dbraw/zinc/68/22/15/952682215.db2.gz GUYAYBVUUJBABI-CKYFFXLPSA-N -1 3 379.808 0.390 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC001571153657 952686974 /nfs/dbraw/zinc/68/69/74/952686974.db2.gz SUJYLZFBLVQGIB-UHFFFAOYSA-N -1 3 380.361 0.317 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC001571153657 952686976 /nfs/dbraw/zinc/68/69/76/952686976.db2.gz SUJYLZFBLVQGIB-UHFFFAOYSA-N -1 3 380.361 0.317 20 0 GCADHM O=C(NN1CCOC1=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001571153926 952688715 /nfs/dbraw/zinc/68/87/15/952688715.db2.gz VWUWUWQXSZJCQA-UHFFFAOYSA-N -1 3 380.368 0.971 20 0 GCADHM O=C(NN1CCOC1=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001571153926 952688717 /nfs/dbraw/zinc/68/87/17/952688717.db2.gz VWUWUWQXSZJCQA-UHFFFAOYSA-N -1 3 380.368 0.971 20 0 GCADHM C[C@]12CN(C(=O)Nc3cc(F)cc(-c4nnn[n-]4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001571154747 952689460 /nfs/dbraw/zinc/68/94/60/952689460.db2.gz AVJWNSLKSRDJRP-ZUZCIYMTSA-N -1 3 380.405 0.904 20 0 GCADHM C[C@]12CN(C(=O)Nc3cc(F)cc(-c4nn[n-]n4)c3)C[C@H]1CS(=O)(=O)C2 ZINC001571154747 952689465 /nfs/dbraw/zinc/68/94/65/952689465.db2.gz AVJWNSLKSRDJRP-ZUZCIYMTSA-N -1 3 380.405 0.904 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1ccc(=O)n(C)c1 ZINC001571154868 952690405 /nfs/dbraw/zinc/69/04/05/952690405.db2.gz CTQHPMGAESGNTC-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1ccc(=O)n(C)c1 ZINC001571154868 952690408 /nfs/dbraw/zinc/69/04/08/952690408.db2.gz CTQHPMGAESGNTC-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM O=C(CNC(=O)Cc1ccc(O)cc1)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001571154987 952691547 /nfs/dbraw/zinc/69/15/47/952691547.db2.gz DDKQRWPAWHDLBI-UHFFFAOYSA-N -1 3 380.408 0.590 20 0 GCADHM O=C(CNC(=O)Cc1ccc(O)cc1)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001571154987 952691552 /nfs/dbraw/zinc/69/15/52/952691552.db2.gz DDKQRWPAWHDLBI-UHFFFAOYSA-N -1 3 380.408 0.590 20 0 GCADHM CN(C[C@H]1CCN1C(=O)Cc1cccnc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571155098 952692120 /nfs/dbraw/zinc/69/21/20/952692120.db2.gz HTVZYVRIPLILTQ-CYBMUJFWSA-N -1 3 380.412 0.505 20 0 GCADHM CN(C[C@H]1CCN1C(=O)Cc1cccnc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571155098 952692123 /nfs/dbraw/zinc/69/21/23/952692123.db2.gz HTVZYVRIPLILTQ-CYBMUJFWSA-N -1 3 380.412 0.505 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CN1C(=O)c1ccn(C)c(=O)c1 ZINC001571155267 952695012 /nfs/dbraw/zinc/69/50/12/952695012.db2.gz MJMDRLQYTUPBSY-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CN1C(=O)c1ccn(C)c(=O)c1 ZINC001571155267 952695014 /nfs/dbraw/zinc/69/50/14/952695014.db2.gz MJMDRLQYTUPBSY-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM Cn1cc(CNC(=O)[C@@H]2CCC(=O)N2C)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001571155407 952696447 /nfs/dbraw/zinc/69/64/47/952696447.db2.gz QTVGYOIRCNHCEQ-AWEZNQCLSA-N -1 3 380.412 0.504 20 0 GCADHM Cn1cc(CNC(=O)[C@@H]2CCC(=O)N2C)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571155407 952696449 /nfs/dbraw/zinc/69/64/49/952696449.db2.gz QTVGYOIRCNHCEQ-AWEZNQCLSA-N -1 3 380.412 0.504 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571157875 952707811 /nfs/dbraw/zinc/70/78/11/952707811.db2.gz BGXYXBZBMJCJHX-GFCCVEGCSA-N -1 3 380.412 0.790 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571157875 952707816 /nfs/dbraw/zinc/70/78/16/952707816.db2.gz BGXYXBZBMJCJHX-GFCCVEGCSA-N -1 3 380.412 0.790 20 0 GCADHM COc1cncc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC001571157947 952709022 /nfs/dbraw/zinc/70/90/22/952709022.db2.gz DGPYTHVZEXCHHE-UHFFFAOYSA-N -1 3 380.412 0.623 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)cn1 ZINC001571158444 952711353 /nfs/dbraw/zinc/71/13/53/952711353.db2.gz HUXGVMUINZRLDJ-CABCVRRESA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)cn1 ZINC001571158444 952711356 /nfs/dbraw/zinc/71/13/56/952711356.db2.gz HUXGVMUINZRLDJ-CABCVRRESA-N -1 3 380.412 0.335 20 0 GCADHM Cc1cccnc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571158532 952712089 /nfs/dbraw/zinc/71/20/89/952712089.db2.gz KWKJBUYORXYTPR-BXUZGUMPSA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cccnc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571158532 952712096 /nfs/dbraw/zinc/71/20/96/952712096.db2.gz KWKJBUYORXYTPR-BXUZGUMPSA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cc(=O)c(C(=O)N2C[C@H](C)[C@H](Nc3ncccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571158684 952713256 /nfs/dbraw/zinc/71/32/56/952713256.db2.gz MKFKRRHIMCQFQI-IINYFYTJSA-N -1 3 380.412 0.831 20 0 GCADHM Cc1cc(=O)c(C(=O)N2C[C@H](C)[C@H](Nc3ncccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571158684 952713260 /nfs/dbraw/zinc/71/32/60/952713260.db2.gz MKFKRRHIMCQFQI-IINYFYTJSA-N -1 3 380.412 0.831 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C)[nH]1 ZINC001571158712 952713505 /nfs/dbraw/zinc/71/35/05/952713505.db2.gz NEHULNFBBPAJMY-NHAGDIPZSA-N -1 3 380.412 0.640 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C)[nH]1 ZINC001571158712 952713508 /nfs/dbraw/zinc/71/35/08/952713508.db2.gz NEHULNFBBPAJMY-NHAGDIPZSA-N -1 3 380.412 0.640 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571158674 952713517 /nfs/dbraw/zinc/71/35/17/952713517.db2.gz MBUJOAJIOWUZMK-WCQYABFASA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571158674 952713524 /nfs/dbraw/zinc/71/35/24/952713524.db2.gz MBUJOAJIOWUZMK-WCQYABFASA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571158673 952713881 /nfs/dbraw/zinc/71/38/81/952713881.db2.gz MBUJOAJIOWUZMK-DGCLKSJQSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571158673 952713884 /nfs/dbraw/zinc/71/38/84/952713884.db2.gz MBUJOAJIOWUZMK-DGCLKSJQSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cc(N2CC[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@@H]3C2)ncn1 ZINC001571158871 952714739 /nfs/dbraw/zinc/71/47/39/952714739.db2.gz SSDLXWCNPROUGV-OCCSQVGLSA-N -1 3 379.428 0.892 20 0 GCADHM Cc1cc(N2CC[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@@H]3C2)ncn1 ZINC001571158871 952714743 /nfs/dbraw/zinc/71/47/43/952714743.db2.gz SSDLXWCNPROUGV-OCCSQVGLSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC001571159107 952717034 /nfs/dbraw/zinc/71/70/34/952717034.db2.gz QMVNJNYGMDBGHL-DGCLKSJQSA-N -1 3 380.412 0.865 20 0 GCADHM C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1CNC(=O)c1ccc(=O)[nH]c1 ZINC001571159107 952717036 /nfs/dbraw/zinc/71/70/36/952717036.db2.gz QMVNJNYGMDBGHL-DGCLKSJQSA-N -1 3 380.412 0.865 20 0 GCADHM Cc1cccnc1C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571159103 952717183 /nfs/dbraw/zinc/71/71/83/952717183.db2.gz QMFPAFIAFNFOMF-CYBMUJFWSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cccnc1C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571159103 952717199 /nfs/dbraw/zinc/71/71/99/952717199.db2.gz QMFPAFIAFNFOMF-CYBMUJFWSA-N -1 3 380.412 0.885 20 0 GCADHM COc1ccc(CC(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)nc1 ZINC001571159016 952717400 /nfs/dbraw/zinc/71/74/00/952717400.db2.gz PGHDGVGQSITIKA-OKILXGFUSA-N -1 3 380.412 0.967 20 0 GCADHM COc1ccc(CC(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)nc1 ZINC001571159016 952717404 /nfs/dbraw/zinc/71/74/04/952717404.db2.gz PGHDGVGQSITIKA-OKILXGFUSA-N -1 3 380.412 0.967 20 0 GCADHM COc1ccc(C(=O)N2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)cn1 ZINC001571159354 952718435 /nfs/dbraw/zinc/71/84/35/952718435.db2.gz VHGSMDILNITNMQ-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM COc1ccc(C(=O)N2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)cn1 ZINC001571159354 952718437 /nfs/dbraw/zinc/71/84/37/952718437.db2.gz VHGSMDILNITNMQ-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM Cc1cc(=O)c(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001571159335 952718459 /nfs/dbraw/zinc/71/84/59/952718459.db2.gz USWCIUMEHPZDON-ZDUSSCGKSA-N -1 3 380.412 0.609 20 0 GCADHM Cc1cc(=O)c(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571159335 952718463 /nfs/dbraw/zinc/71/84/63/952718463.db2.gz USWCIUMEHPZDON-ZDUSSCGKSA-N -1 3 380.412 0.609 20 0 GCADHM Cc1cccnc1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571159515 952719211 /nfs/dbraw/zinc/71/92/11/952719211.db2.gz XEFVNCPXRLWJMQ-BJHJDKERSA-N -1 3 380.412 0.837 20 0 GCADHM Cc1cccnc1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571159515 952719213 /nfs/dbraw/zinc/71/92/13/952719213.db2.gz XEFVNCPXRLWJMQ-BJHJDKERSA-N -1 3 380.412 0.837 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNC(=O)c1ccccn1 ZINC001571159557 952721266 /nfs/dbraw/zinc/72/12/66/952721266.db2.gz XZZWBDPKQGFVGG-DGCLKSJQSA-N -1 3 380.412 0.728 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNC(=O)c1ccccn1 ZINC001571159557 952721269 /nfs/dbraw/zinc/72/12/69/952721269.db2.gz XZZWBDPKQGFVGG-DGCLKSJQSA-N -1 3 380.412 0.728 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2ccon2)n1 ZINC001571159745 952722263 /nfs/dbraw/zinc/72/22/63/952722263.db2.gz ZSNOTTOCKRGSFP-KBPBESRZSA-N -1 3 380.412 0.980 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2ccon2)n1 ZINC001571159745 952722267 /nfs/dbraw/zinc/72/22/67/952722267.db2.gz ZSNOTTOCKRGSFP-KBPBESRZSA-N -1 3 380.412 0.980 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)c[nH]1 ZINC001571160242 952724309 /nfs/dbraw/zinc/72/43/09/952724309.db2.gz FQGPVELRDXWVBH-UHFFFAOYSA-N -1 3 380.412 0.252 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)c[nH]1 ZINC001571160242 952724315 /nfs/dbraw/zinc/72/43/15/952724315.db2.gz FQGPVELRDXWVBH-UHFFFAOYSA-N -1 3 380.412 0.252 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)ccc1=O ZINC001571160492 952726384 /nfs/dbraw/zinc/72/63/84/952726384.db2.gz IGGYWWRQDYOWOM-CYBMUJFWSA-N -1 3 380.412 0.677 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)ccc1=O ZINC001571160492 952726385 /nfs/dbraw/zinc/72/63/85/952726385.db2.gz IGGYWWRQDYOWOM-CYBMUJFWSA-N -1 3 380.412 0.677 20 0 GCADHM Cn1cc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)ccc1=O ZINC001571160662 952727274 /nfs/dbraw/zinc/72/72/74/952727274.db2.gz LBNHFBAEBSIWNZ-GOSISDBHSA-N -1 3 380.412 0.359 20 0 GCADHM Cn1cc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)cn3)C2)ccc1=O ZINC001571160662 952727278 /nfs/dbraw/zinc/72/72/78/952727278.db2.gz LBNHFBAEBSIWNZ-GOSISDBHSA-N -1 3 380.412 0.359 20 0 GCADHM O=C(Cn1ccccc1=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571160802 952728125 /nfs/dbraw/zinc/72/81/25/952728125.db2.gz MESUDVZDGQIFJW-CYBMUJFWSA-N -1 3 380.412 0.384 20 0 GCADHM O=C(Cn1ccccc1=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571160802 952728129 /nfs/dbraw/zinc/72/81/29/952728129.db2.gz MESUDVZDGQIFJW-CYBMUJFWSA-N -1 3 380.412 0.384 20 0 GCADHM O=C(c1cc[nH]c1)N1CC[C@]2(C1)CN(c1ccc(-c3nnn[n-]3)cn1)CCO2 ZINC001571160829 952728405 /nfs/dbraw/zinc/72/84/05/952728405.db2.gz MVMLMVOTTNETFI-GOSISDBHSA-N -1 3 380.412 0.711 20 0 GCADHM O=C(c1cc[nH]c1)N1CC[C@]2(C1)CN(c1ccc(-c3nn[n-]n3)cn1)CCO2 ZINC001571160829 952728407 /nfs/dbraw/zinc/72/84/07/952728407.db2.gz MVMLMVOTTNETFI-GOSISDBHSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3ccccn3)[C@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571160771 952728795 /nfs/dbraw/zinc/72/87/95/952728795.db2.gz LYRPCAJLUGZARG-DZGCQCFKSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3ccccn3)[C@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571160771 952728799 /nfs/dbraw/zinc/72/87/99/952728799.db2.gz LYRPCAJLUGZARG-DZGCQCFKSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3ccccn3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571160773 952728860 /nfs/dbraw/zinc/72/88/60/952728860.db2.gz LYRPCAJLUGZARG-HIFRSBDPSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3ccccn3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571160773 952728863 /nfs/dbraw/zinc/72/88/63/952728863.db2.gz LYRPCAJLUGZARG-HIFRSBDPSA-N -1 3 380.412 0.335 20 0 GCADHM O=C(Cc1cccnc1)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571161014 952729698 /nfs/dbraw/zinc/72/96/98/952729698.db2.gz OSZPNUROFLVKRQ-CQSZACIVSA-N -1 3 380.412 0.553 20 0 GCADHM O=C(Cc1cccnc1)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571161014 952729703 /nfs/dbraw/zinc/72/97/03/952729703.db2.gz OSZPNUROFLVKRQ-CQSZACIVSA-N -1 3 380.412 0.553 20 0 GCADHM Cc1cnccc1C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161026 952730058 /nfs/dbraw/zinc/73/00/58/952730058.db2.gz OXSURFWIZGOFCK-UHFFFAOYSA-N -1 3 380.412 0.837 20 0 GCADHM Cc1cnccc1C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161026 952730061 /nfs/dbraw/zinc/73/00/61/952730061.db2.gz OXSURFWIZGOFCK-UHFFFAOYSA-N -1 3 380.412 0.837 20 0 GCADHM O=C(Cc1ccc[nH]1)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571161071 952730509 /nfs/dbraw/zinc/73/05/09/952730509.db2.gz PZHVKEVZVBBKMJ-XHDPSFHLSA-N -1 3 380.412 0.439 20 0 GCADHM O=C(Cc1ccc[nH]1)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571161071 952730513 /nfs/dbraw/zinc/73/05/13/952730513.db2.gz PZHVKEVZVBBKMJ-XHDPSFHLSA-N -1 3 380.412 0.439 20 0 GCADHM O=C(NC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1)c1ccncn1 ZINC001571161057 952730701 /nfs/dbraw/zinc/73/07/01/952730701.db2.gz PRFHTGSNVNHPHN-HNNXBMFYSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1)c1ccncn1 ZINC001571161057 952730707 /nfs/dbraw/zinc/73/07/07/952730707.db2.gz PRFHTGSNVNHPHN-HNNXBMFYSA-N -1 3 380.412 0.288 20 0 GCADHM Cc1cnc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)c1 ZINC001571161200 952730770 /nfs/dbraw/zinc/73/07/70/952730770.db2.gz RCGIHDYPTGJWKB-GFCCVEGCSA-N -1 3 380.412 0.851 20 0 GCADHM Cc1cnc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)c1 ZINC001571161200 952730772 /nfs/dbraw/zinc/73/07/72/952730772.db2.gz RCGIHDYPTGJWKB-GFCCVEGCSA-N -1 3 380.412 0.851 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571161282 952731474 /nfs/dbraw/zinc/73/14/74/952731474.db2.gz UEGMTSWXZQUHMT-ZDUSSCGKSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571161282 952731482 /nfs/dbraw/zinc/73/14/82/952731482.db2.gz UEGMTSWXZQUHMT-ZDUSSCGKSA-N -1 3 380.412 0.885 20 0 GCADHM NC(=O)CN1CCc2ccccc2[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571161264 952732098 /nfs/dbraw/zinc/73/20/98/952732098.db2.gz TWOZSGCSIZYYKK-HNNXBMFYSA-N -1 3 380.412 0.009 20 0 GCADHM NC(=O)CN1CCc2ccccc2[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571161264 952732101 /nfs/dbraw/zinc/73/21/01/952732101.db2.gz TWOZSGCSIZYYKK-HNNXBMFYSA-N -1 3 380.412 0.009 20 0 GCADHM O=C(Cc1cnoc1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571161269 952732165 /nfs/dbraw/zinc/73/21/65/952732165.db2.gz UAQIOEWQZGRZPG-XJKSGUPXSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(Cc1cnoc1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571161269 952732167 /nfs/dbraw/zinc/73/21/67/952732167.db2.gz UAQIOEWQZGRZPG-XJKSGUPXSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ccncc2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571161478 952733129 /nfs/dbraw/zinc/73/31/29/952733129.db2.gz WVFPWJGNZGQYNZ-SMDDNHRTSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2ccncc2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571161478 952733131 /nfs/dbraw/zinc/73/31/31/952733131.db2.gz WVFPWJGNZGQYNZ-SMDDNHRTSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)n1 ZINC001571161918 952736013 /nfs/dbraw/zinc/73/60/13/952736013.db2.gz FBOKQKKVRZZZPC-IJLUTSLNSA-N -1 3 380.416 0.505 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)n1 ZINC001571161918 952736019 /nfs/dbraw/zinc/73/60/19/952736019.db2.gz FBOKQKKVRZZZPC-IJLUTSLNSA-N -1 3 380.416 0.505 20 0 GCADHM C[C@@]12CN(C(=O)c3cc[nH]n3)C[C@]1(C)CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571162454 952744475 /nfs/dbraw/zinc/74/44/75/952744475.db2.gz UPUDEKOWCKVHTH-CALCHBBNSA-N -1 3 380.416 0.368 20 0 GCADHM C[C@@]12CN(C(=O)c3cc[nH]n3)C[C@]1(C)CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571162454 952744479 /nfs/dbraw/zinc/74/44/79/952744479.db2.gz UPUDEKOWCKVHTH-CALCHBBNSA-N -1 3 380.416 0.368 20 0 GCADHM O=C(Cn1cc(C2CC2)nn1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571164956 952746438 /nfs/dbraw/zinc/74/64/38/952746438.db2.gz AERZRGTWCGGRQW-CYBMUJFWSA-N -1 3 380.416 0.444 20 0 GCADHM O=C(Cn1cc(C2CC2)nn1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571164956 952746443 /nfs/dbraw/zinc/74/64/43/952746443.db2.gz AERZRGTWCGGRQW-CYBMUJFWSA-N -1 3 380.416 0.444 20 0 GCADHM O=C(Cc1c[nH]cn1)NC1CC2(C1)CC(Nc1cnc(-c3nnn[n-]3)cn1)C2 ZINC001571165141 952746972 /nfs/dbraw/zinc/74/69/72/952746972.db2.gz DADVLSOWFBDAPK-UHFFFAOYSA-N -1 3 380.416 0.462 20 0 GCADHM O=C(Cc1c[nH]cn1)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571165141 952746975 /nfs/dbraw/zinc/74/69/75/952746975.db2.gz DADVLSOWFBDAPK-UHFFFAOYSA-N -1 3 380.416 0.462 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)c1n[nH]c2c1CCCC2 ZINC001571165035 952747753 /nfs/dbraw/zinc/74/77/53/952747753.db2.gz BJZWSSGJLDHTMD-JTQLQIEISA-N -1 3 380.416 0.267 20 0 GCADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnnn2C)C3)ccc1-c1nnn[n-]1 ZINC001571165450 952751067 /nfs/dbraw/zinc/75/10/67/952751067.db2.gz HASVCIPFQLQKAF-WXHSDQCUSA-N -1 3 380.416 0.238 20 0 GCADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnnn2C)C3)ccc1-c1nn[n-]n1 ZINC001571165450 952751071 /nfs/dbraw/zinc/75/10/71/952751071.db2.gz HASVCIPFQLQKAF-WXHSDQCUSA-N -1 3 380.416 0.238 20 0 GCADHM COc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC001571165561 952752678 /nfs/dbraw/zinc/75/26/78/952752678.db2.gz DZOBPDBFWUMNDD-ONGXEEELSA-N -1 3 380.430 0.963 20 0 GCADHM COc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001571165561 952752681 /nfs/dbraw/zinc/75/26/81/952752681.db2.gz DZOBPDBFWUMNDD-ONGXEEELSA-N -1 3 380.430 0.963 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C23CCC3)nn1 ZINC001571165756 952754975 /nfs/dbraw/zinc/75/49/75/952754975.db2.gz JREJOTKPKYXYDO-STQMWFEESA-N -1 3 380.416 0.543 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C23CCC3)nn1 ZINC001571165756 952754987 /nfs/dbraw/zinc/75/49/87/952754987.db2.gz JREJOTKPKYXYDO-STQMWFEESA-N -1 3 380.416 0.543 20 0 GCADHM Cc1nc(C(=O)N2CC[C@H]3[C@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001571166142 952758718 /nfs/dbraw/zinc/75/87/18/952758718.db2.gz OQCQLULJHNTOIX-RISCZKNCSA-N -1 3 380.416 0.429 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571166120 952758961 /nfs/dbraw/zinc/75/89/61/952758961.db2.gz OFGKCFVTPBBBMO-DYVFJYSZSA-N -1 3 380.416 0.620 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571166120 952758962 /nfs/dbraw/zinc/75/89/62/952758962.db2.gz OFGKCFVTPBBBMO-DYVFJYSZSA-N -1 3 380.416 0.620 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)c[nH]1 ZINC001571166330 952760589 /nfs/dbraw/zinc/76/05/89/952760589.db2.gz QWFISHAWHQRNCA-SMDDNHRTSA-N -1 3 380.416 0.429 20 0 GCADHM Cn1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ncccc2-c2nnn[n-]2)n1 ZINC001571166365 952760625 /nfs/dbraw/zinc/76/06/25/952760625.db2.gz RBUDPVVSUABJMV-YOGCLGLASA-N -1 3 380.416 0.320 20 0 GCADHM Cn1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ncccc2-c2nn[n-]n2)n1 ZINC001571166365 952760627 /nfs/dbraw/zinc/76/06/27/952760627.db2.gz RBUDPVVSUABJMV-YOGCLGLASA-N -1 3 380.416 0.320 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571166483 952761540 /nfs/dbraw/zinc/76/15/40/952761540.db2.gz SJZCUKXFRZUVPT-KRWDZBQOSA-N -1 3 380.416 0.051 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571166483 952761548 /nfs/dbraw/zinc/76/15/48/952761548.db2.gz SJZCUKXFRZUVPT-KRWDZBQOSA-N -1 3 380.416 0.051 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)c2nccnc2N)ccc1-c1nnn[n-]1 ZINC001571166794 952765773 /nfs/dbraw/zinc/76/57/73/952765773.db2.gz WGINUZYVITVOKV-LLVKDONJSA-N -1 3 380.416 0.659 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)c2nccnc2N)ccc1-c1nn[n-]n1 ZINC001571166794 952765779 /nfs/dbraw/zinc/76/57/79/952765779.db2.gz WGINUZYVITVOKV-LLVKDONJSA-N -1 3 380.416 0.659 20 0 GCADHM CCOc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)ncn1 ZINC001571169952 952780706 /nfs/dbraw/zinc/78/07/06/952780706.db2.gz AICHDGWNUORMHT-RTUWITSCSA-N -1 3 381.400 0.248 20 0 GCADHM CCOc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)ncn1 ZINC001571169952 952780708 /nfs/dbraw/zinc/78/07/08/952780708.db2.gz AICHDGWNUORMHT-RTUWITSCSA-N -1 3 381.400 0.248 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccnn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170030 952781425 /nfs/dbraw/zinc/78/14/25/952781425.db2.gz CRCJFWZTSFYBBR-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccnn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170030 952781429 /nfs/dbraw/zinc/78/14/29/952781429.db2.gz CRCJFWZTSFYBBR-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccnn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170032 952782046 /nfs/dbraw/zinc/78/20/46/952782046.db2.gz CRCJFWZTSFYBBR-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccnn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170032 952782048 /nfs/dbraw/zinc/78/20/48/952782048.db2.gz CRCJFWZTSFYBBR-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@]1(NC(=O)c2c[nH]c(C(N)=O)c2)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571170356 952784872 /nfs/dbraw/zinc/78/48/72/952784872.db2.gz HHUBQHZLDZYZEB-QGZVFWFLSA-N -1 3 381.400 0.088 20 0 GCADHM C[C@@]1(NC(=O)c2c[nH]c(C(N)=O)c2)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571170356 952784873 /nfs/dbraw/zinc/78/48/73/952784873.db2.gz HHUBQHZLDZYZEB-QGZVFWFLSA-N -1 3 381.400 0.088 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001571170344 952785138 /nfs/dbraw/zinc/78/51/38/952785138.db2.gz GYQFMYOSJJRDDV-WCQYABFASA-N -1 3 381.400 0.393 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001571170344 952785139 /nfs/dbraw/zinc/78/51/39/952785139.db2.gz GYQFMYOSJJRDDV-WCQYABFASA-N -1 3 381.400 0.393 20 0 GCADHM Cc1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571170349 952785144 /nfs/dbraw/zinc/78/51/44/952785144.db2.gz HGDYWMOPBYUNRC-HUUCEWRRSA-N -1 3 381.396 0.119 20 0 GCADHM Cc1cccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571170349 952785148 /nfs/dbraw/zinc/78/51/48/952785148.db2.gz HGDYWMOPBYUNRC-HUUCEWRRSA-N -1 3 381.396 0.119 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001571170727 952788025 /nfs/dbraw/zinc/78/80/25/952788025.db2.gz KZPINLALEXYUEY-RISCZKNCSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001571170727 952788029 /nfs/dbraw/zinc/78/80/29/952788029.db2.gz KZPINLALEXYUEY-RISCZKNCSA-N -1 3 381.400 0.393 20 0 GCADHM O=C(c1cocn1)N1CCOC2(CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571171344 952792978 /nfs/dbraw/zinc/79/29/78/952792978.db2.gz RAAICSMWZHTKSF-UHFFFAOYSA-N -1 3 381.396 0.582 20 0 GCADHM O=C(c1cocn1)N1CCOC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571171344 952792982 /nfs/dbraw/zinc/79/29/82/952792982.db2.gz RAAICSMWZHTKSF-UHFFFAOYSA-N -1 3 381.396 0.582 20 0 GCADHM CN(C[C@@H]1CCN1CCO[C@H]1CC1(F)F)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571171589 952794879 /nfs/dbraw/zinc/79/48/79/952794879.db2.gz STLSLGZCXQFTFB-AAEUAGOBSA-N -1 3 381.387 0.765 20 0 GCADHM Cc1cc(=O)[nH]c(N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001571174573 952809967 /nfs/dbraw/zinc/80/99/67/952809967.db2.gz AVMHLFSMQLXJGN-UHFFFAOYSA-N -1 3 381.400 0.465 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ncn1 ZINC001571174656 952810810 /nfs/dbraw/zinc/81/08/10/952810810.db2.gz DJENLWMTPXYSSD-LLVKDONJSA-N -1 3 381.400 0.185 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ncn1 ZINC001571174656 952810813 /nfs/dbraw/zinc/81/08/13/952810813.db2.gz DJENLWMTPXYSSD-LLVKDONJSA-N -1 3 381.400 0.185 20 0 GCADHM COc1cnc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)nc1 ZINC001571174732 952812406 /nfs/dbraw/zinc/81/24/06/952812406.db2.gz GQWHKISAUYNGJX-NSHDSACASA-N -1 3 381.400 0.459 20 0 GCADHM COc1cnc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)nc1 ZINC001571174732 952812412 /nfs/dbraw/zinc/81/24/12/952812412.db2.gz GQWHKISAUYNGJX-NSHDSACASA-N -1 3 381.400 0.459 20 0 GCADHM COc1ccc(C(=O)N[C@H]2C[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)nn1 ZINC001571174659 952813138 /nfs/dbraw/zinc/81/31/38/952813138.db2.gz DMURQCUHRBKYJC-XYPYZODXSA-N -1 3 381.400 0.742 20 0 GCADHM COc1ccc(C(=O)N[C@H]2C[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)nn1 ZINC001571174659 952813143 /nfs/dbraw/zinc/81/31/43/952813143.db2.gz DMURQCUHRBKYJC-XYPYZODXSA-N -1 3 381.400 0.742 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C)n1 ZINC001571174813 952813937 /nfs/dbraw/zinc/81/39/37/952813937.db2.gz IYQBBMRFZBLSKN-ZWNOBZJWSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)c3cn[nH]c(=O)c3)[C@@H]2C)n1 ZINC001571174813 952813942 /nfs/dbraw/zinc/81/39/42/952813942.db2.gz IYQBBMRFZBLSKN-ZWNOBZJWSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)c3ncccc3O)C2)n1 ZINC001571174795 952814204 /nfs/dbraw/zinc/81/42/04/952814204.db2.gz IITGWGRKIOIHHU-NSHDSACASA-N -1 3 381.400 0.322 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)ncn1 ZINC001571174866 952815182 /nfs/dbraw/zinc/81/51/82/952815182.db2.gz KYJOLRHKFCHDLY-LBPRGKRZSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)ncn1 ZINC001571174866 952815186 /nfs/dbraw/zinc/81/51/86/952815186.db2.gz KYJOLRHKFCHDLY-LBPRGKRZSA-N -1 3 381.400 0.280 20 0 GCADHM COc1nccc(C(=O)N2C[C@H](Nc3ncccc3-c3nnn[n-]3)C[C@@H]2C)n1 ZINC001571174834 952815265 /nfs/dbraw/zinc/81/52/65/952815265.db2.gz JUPXDWYDSCKSNP-WDEREUQCSA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N2C[C@H](Nc3ncccc3-c3nn[n-]n3)C[C@@H]2C)n1 ZINC001571174834 952815271 /nfs/dbraw/zinc/81/52/71/952815271.db2.gz JUPXDWYDSCKSNP-WDEREUQCSA-N -1 3 381.400 0.775 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C)ncn1 ZINC001571175125 952817817 /nfs/dbraw/zinc/81/78/17/952817817.db2.gz PZDGUTVQJGTGTB-ZWNOBZJWSA-N -1 3 381.400 0.315 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C)ncn1 ZINC001571175125 952817822 /nfs/dbraw/zinc/81/78/22/952817822.db2.gz PZDGUTVQJGTGTB-ZWNOBZJWSA-N -1 3 381.400 0.315 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)nn1 ZINC001571175289 952819096 /nfs/dbraw/zinc/81/90/96/952819096.db2.gz RRDVNXBXQXVCBL-LBPRGKRZSA-N -1 3 381.400 0.246 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)nn1 ZINC001571175289 952819100 /nfs/dbraw/zinc/81/91/00/952819100.db2.gz RRDVNXBXQXVCBL-LBPRGKRZSA-N -1 3 381.400 0.246 20 0 GCADHM COc1cncc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC001571175304 952819574 /nfs/dbraw/zinc/81/95/74/952819574.db2.gz RZKDBDHSLLTSGW-ZWNOBZJWSA-N -1 3 381.400 0.315 20 0 GCADHM COc1cncc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001571175304 952819581 /nfs/dbraw/zinc/81/95/81/952819581.db2.gz RZKDBDHSLLTSGW-ZWNOBZJWSA-N -1 3 381.400 0.315 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2cccnn2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571175297 952819683 /nfs/dbraw/zinc/81/96/83/952819683.db2.gz AJPFSLJRTMYYEA-WDEREUQCSA-N -1 3 381.400 0.313 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2cccnn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571175297 952819690 /nfs/dbraw/zinc/81/96/90/952819690.db2.gz AJPFSLJRTMYYEA-WDEREUQCSA-N -1 3 381.400 0.313 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2)c1cn[nH]c1 ZINC001571175324 952819829 /nfs/dbraw/zinc/81/98/29/952819829.db2.gz ARINJLBPKZPYGX-STQMWFEESA-N -1 3 381.400 0.389 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2)c1cn[nH]c1 ZINC001571175324 952819833 /nfs/dbraw/zinc/81/98/33/952819833.db2.gz ARINJLBPKZPYGX-STQMWFEESA-N -1 3 381.400 0.389 20 0 GCADHM COc1cc(C(=O)N2CC[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)ncn1 ZINC001571175549 952822215 /nfs/dbraw/zinc/82/22/15/952822215.db2.gz URYSYMNGSJFKLD-NSHDSACASA-N -1 3 381.400 0.695 20 0 GCADHM COc1cc(C(=O)N2CC[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)ncn1 ZINC001571175549 952822217 /nfs/dbraw/zinc/82/22/17/952822217.db2.gz URYSYMNGSJFKLD-NSHDSACASA-N -1 3 381.400 0.695 20 0 GCADHM COc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571175568 952822301 /nfs/dbraw/zinc/82/23/01/952822301.db2.gz VHKDEWVXYDVPBQ-ZWNOBZJWSA-N -1 3 381.400 0.633 20 0 GCADHM COc1cncc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571175568 952822306 /nfs/dbraw/zinc/82/23/06/952822306.db2.gz VHKDEWVXYDVPBQ-ZWNOBZJWSA-N -1 3 381.400 0.633 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2c[nH]nc2C2CC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571175436 952822974 /nfs/dbraw/zinc/82/29/74/952822974.db2.gz CPSURBWGCUTBLX-MGCOHNPYSA-N -1 3 381.400 0.486 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2c[nH]nc2C2CC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571175436 952822980 /nfs/dbraw/zinc/82/29/80/952822980.db2.gz CPSURBWGCUTBLX-MGCOHNPYSA-N -1 3 381.400 0.486 20 0 GCADHM Cc1nc(NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571175676 952824190 /nfs/dbraw/zinc/82/41/90/952824190.db2.gz DXYNKEYYRUTCEB-NEPJUHHUSA-N -1 3 381.400 0.018 20 0 GCADHM Cn1cc(N2C[C@@H](C(=O)NCc3cncc(-c4nnn[n-]4)c3)CCC2=O)cn1 ZINC001571175907 952827039 /nfs/dbraw/zinc/82/70/39/952827039.db2.gz HMZKWUFFALGAER-LBPRGKRZSA-N -1 3 381.400 0.055 20 0 GCADHM Cn1cc(N2C[C@@H](C(=O)NCc3cncc(-c4nn[n-]n4)c3)CCC2=O)cn1 ZINC001571175907 952827044 /nfs/dbraw/zinc/82/70/44/952827044.db2.gz HMZKWUFFALGAER-LBPRGKRZSA-N -1 3 381.400 0.055 20 0 GCADHM O=C(NC1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1)c1ccc(=O)[nH]n1 ZINC001571175977 952828381 /nfs/dbraw/zinc/82/83/81/952828381.db2.gz KJJDZSUYDCHWLV-UHFFFAOYSA-N -1 3 381.400 0.910 20 0 GCADHM O=C(NC1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1)c1ccc(=O)[nH]n1 ZINC001571175977 952828387 /nfs/dbraw/zinc/82/83/87/952828387.db2.gz KJJDZSUYDCHWLV-UHFFFAOYSA-N -1 3 381.400 0.910 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3cn[nH]c(=O)c3)[C@H]2C)ccc1-c1nnn[n-]1 ZINC001571176307 952830488 /nfs/dbraw/zinc/83/04/88/952830488.db2.gz OWBXMEMXGFYEGD-MFKMUULPSA-N -1 3 381.400 0.463 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3cn[nH]c(=O)c3)[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571176307 952830493 /nfs/dbraw/zinc/83/04/93/952830493.db2.gz OWBXMEMXGFYEGD-MFKMUULPSA-N -1 3 381.400 0.463 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571176352 952830756 /nfs/dbraw/zinc/83/07/56/952830756.db2.gz QFSPZIZNWCHDQL-LLVKDONJSA-N -1 3 381.400 0.405 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571176352 952830762 /nfs/dbraw/zinc/83/07/62/952830762.db2.gz QFSPZIZNWCHDQL-LLVKDONJSA-N -1 3 381.400 0.405 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2)c1ncc[nH]1 ZINC001571176484 952831713 /nfs/dbraw/zinc/83/17/13/952831713.db2.gz RQMCBQZLUADQRI-YVEFUNNKSA-N -1 3 381.400 0.485 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2)c1ncc[nH]1 ZINC001571176484 952831716 /nfs/dbraw/zinc/83/17/16/952831716.db2.gz RQMCBQZLUADQRI-YVEFUNNKSA-N -1 3 381.400 0.485 20 0 GCADHM Cc1nnccc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571176520 952832118 /nfs/dbraw/zinc/83/21/18/952832118.db2.gz SLCKCGXEVJGTRG-GWCFXTLKSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571176520 952832121 /nfs/dbraw/zinc/83/21/21/952832121.db2.gz SLCKCGXEVJGTRG-GWCFXTLKSA-N -1 3 381.400 0.326 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2)c1ncc[nH]1 ZINC001571176483 952832177 /nfs/dbraw/zinc/83/21/77/952832177.db2.gz RQMCBQZLUADQRI-SJKOYZFVSA-N -1 3 381.400 0.485 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2)c1ncc[nH]1 ZINC001571176483 952832179 /nfs/dbraw/zinc/83/21/79/952832179.db2.gz RQMCBQZLUADQRI-SJKOYZFVSA-N -1 3 381.400 0.485 20 0 GCADHM Cc1nc(N2CC[C@@H]3CN(C(=O)c4cnon4)CC[C@@H]32)ccc1-c1nnn[n-]1 ZINC001571176514 952832554 /nfs/dbraw/zinc/83/25/54/952832554.db2.gz SFHVQLSOGIJYSH-RISCZKNCSA-N -1 3 381.400 0.694 20 0 GCADHM Cc1nc(N2CC[C@@H]3CN(C(=O)c4cnon4)CC[C@@H]32)ccc1-c1nn[n-]n1 ZINC001571176514 952832560 /nfs/dbraw/zinc/83/25/60/952832560.db2.gz SFHVQLSOGIJYSH-RISCZKNCSA-N -1 3 381.400 0.694 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001571176598 952833039 /nfs/dbraw/zinc/83/30/39/952833039.db2.gz VPBAOXBFFFNGMY-ONGXEEELSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571176598 952833041 /nfs/dbraw/zinc/83/30/41/952833041.db2.gz VPBAOXBFFFNGMY-ONGXEEELSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nc(NC2CC(N(C)C(=O)c3ccc(=O)[nH]n3)C2)ccc1-c1nnn[n-]1 ZINC001571176534 952833202 /nfs/dbraw/zinc/83/32/02/952833202.db2.gz SYJZTSAGWLJXNJ-UHFFFAOYSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1nc(NC2CC(N(C)C(=O)c3ccc(=O)[nH]n3)C2)ccc1-c1nn[n-]n1 ZINC001571176534 952833207 /nfs/dbraw/zinc/83/32/07/952833207.db2.gz SYJZTSAGWLJXNJ-UHFFFAOYSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001571176595 952833873 /nfs/dbraw/zinc/83/38/73/952833873.db2.gz VPBAOXBFFFNGMY-GXSJLCMTSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571176595 952833876 /nfs/dbraw/zinc/83/38/76/952833876.db2.gz VPBAOXBFFFNGMY-GXSJLCMTSA-N -1 3 381.400 0.326 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ncccn1 ZINC001571176841 952834836 /nfs/dbraw/zinc/83/48/36/952834836.db2.gz YPEGVZCMDZDQCY-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ncccn1 ZINC001571176841 952834840 /nfs/dbraw/zinc/83/48/40/952834840.db2.gz YPEGVZCMDZDQCY-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176935 952835645 /nfs/dbraw/zinc/83/56/45/952835645.db2.gz ZWCDAJVKMKRUKT-CMPLNLGQSA-N -1 3 381.400 0.356 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176935 952835653 /nfs/dbraw/zinc/83/56/53/952835653.db2.gz ZWCDAJVKMKRUKT-CMPLNLGQSA-N -1 3 381.400 0.356 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571179499 952853793 /nfs/dbraw/zinc/85/37/93/952853793.db2.gz FJLVRBLKKJKCGM-WJWAHETDSA-N -1 3 381.440 0.772 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571179499 952853798 /nfs/dbraw/zinc/85/37/98/952853798.db2.gz FJLVRBLKKJKCGM-WJWAHETDSA-N -1 3 381.440 0.772 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)C3CC4(CC4)C3)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571179887 952856355 /nfs/dbraw/zinc/85/63/55/952856355.db2.gz JJCRHRKBLQNTJU-ZSOGYDGISA-N -1 3 381.440 0.819 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)C3CC4(CC4)C3)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571179887 952856361 /nfs/dbraw/zinc/85/63/61/952856361.db2.gz JJCRHRKBLQNTJU-ZSOGYDGISA-N -1 3 381.440 0.819 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(C2CN(Cc3ccccc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001571180182 952858756 /nfs/dbraw/zinc/85/87/56/952858756.db2.gz MJAXXRABFMTTSF-CQSZACIVSA-N -1 3 381.440 0.178 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(C2CN(Cc3ccccc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001571180182 952858760 /nfs/dbraw/zinc/85/87/60/952858760.db2.gz MJAXXRABFMTTSF-CQSZACIVSA-N -1 3 381.440 0.178 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)n1 ZINC001571180535 952860265 /nfs/dbraw/zinc/86/02/65/952860265.db2.gz QOKLWVNELBYCQA-BDRNCRCMSA-N -1 3 381.440 0.357 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)n1 ZINC001571180535 952860269 /nfs/dbraw/zinc/86/02/69/952860269.db2.gz QOKLWVNELBYCQA-BDRNCRCMSA-N -1 3 381.440 0.357 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571181437 952864087 /nfs/dbraw/zinc/86/40/87/952864087.db2.gz XFGUHXFRXMYVKE-YIUHCBHRSA-N -1 3 381.440 0.581 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571181437 952864090 /nfs/dbraw/zinc/86/40/90/952864090.db2.gz XFGUHXFRXMYVKE-YIUHCBHRSA-N -1 3 381.440 0.581 20 0 GCADHM CCc1ccc([C@@H](O)CN2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1 ZINC001571182747 952868536 /nfs/dbraw/zinc/86/85/36/952868536.db2.gz DIKTWVAMTSPQLT-KRWDZBQOSA-N -1 3 381.440 0.905 20 0 GCADHM CCc1ccc([C@@H](O)CN2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cc1 ZINC001571182747 952868541 /nfs/dbraw/zinc/86/85/41/952868541.db2.gz DIKTWVAMTSPQLT-KRWDZBQOSA-N -1 3 381.440 0.905 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[n-]n3)cc2)CCC(=O)N1 ZINC001571183201 952875664 /nfs/dbraw/zinc/87/56/64/952875664.db2.gz SHXGMXXFWXZDQH-DOXZYTNZSA-N -1 3 381.440 0.321 20 0 GCADHM CCc1c[nH]c(CC(=O)N(C)[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571183455 952878678 /nfs/dbraw/zinc/87/86/78/952878678.db2.gz APANDXRBNVJTDH-CYBMUJFWSA-N -1 3 381.444 0.827 20 0 GCADHM CCc1c[nH]c(CC(=O)N(C)[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571183455 952878683 /nfs/dbraw/zinc/87/86/83/952878683.db2.gz APANDXRBNVJTDH-CYBMUJFWSA-N -1 3 381.444 0.827 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571183801 952883117 /nfs/dbraw/zinc/88/31/17/952883117.db2.gz JSZMDWBDIPLWDY-OLZOCXBDSA-N -1 3 381.444 0.744 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571183801 952883121 /nfs/dbraw/zinc/88/31/21/952883121.db2.gz JSZMDWBDIPLWDY-OLZOCXBDSA-N -1 3 381.444 0.744 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571184250 952890667 /nfs/dbraw/zinc/89/06/67/952890667.db2.gz URPAPBRTWKFUQB-GOEBONIOSA-N -1 3 381.444 0.711 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571184250 952890672 /nfs/dbraw/zinc/89/06/72/952890672.db2.gz URPAPBRTWKFUQB-GOEBONIOSA-N -1 3 381.444 0.711 20 0 GCADHM CCn1nc(C)c(C(=O)N(C)C2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001571184631 952894952 /nfs/dbraw/zinc/89/49/52/952894952.db2.gz BVZSDUMKYSDLEN-UHFFFAOYSA-N -1 3 381.444 0.743 20 0 GCADHM CCn1nc(C)c(C(=O)N(C)C2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001571184631 952894956 /nfs/dbraw/zinc/89/49/56/952894956.db2.gz BVZSDUMKYSDLEN-UHFFFAOYSA-N -1 3 381.444 0.743 20 0 GCADHM Cc1c(CC(=O)N2C[C@@H](C)[C@H](Nc3ncccc3-c3nnn[n-]3)C2)cnn1C ZINC001571185511 952902324 /nfs/dbraw/zinc/90/23/24/952902324.db2.gz MRWQWHINJLARDK-IAQYHMDHSA-N -1 3 381.444 0.805 20 0 GCADHM Cc1c(CC(=O)N2C[C@@H](C)[C@H](Nc3ncccc3-c3nn[n-]n3)C2)cnn1C ZINC001571185511 952902326 /nfs/dbraw/zinc/90/23/26/952902326.db2.gz MRWQWHINJLARDK-IAQYHMDHSA-N -1 3 381.444 0.805 20 0 GCADHM Cc1c(CC(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571185721 952903038 /nfs/dbraw/zinc/90/30/38/952903038.db2.gz OUVSPOLZBTWJBB-OAHLLOKOSA-N -1 3 381.444 0.583 20 0 GCADHM Cc1c(CC(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571185721 952903046 /nfs/dbraw/zinc/90/30/46/952903046.db2.gz OUVSPOLZBTWJBB-OAHLLOKOSA-N -1 3 381.444 0.583 20 0 GCADHM Cc1c(CC(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571186294 952907092 /nfs/dbraw/zinc/90/70/92/952907092.db2.gz VRQMRNHUFJDXQY-OAHLLOKOSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1c(CC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571186294 952907100 /nfs/dbraw/zinc/90/71/00/952907100.db2.gz VRQMRNHUFJDXQY-OAHLLOKOSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC001571187636 952908877 /nfs/dbraw/zinc/90/88/77/952908877.db2.gz ABDGHKRAPFKMFB-CQSZACIVSA-N -1 3 381.444 0.752 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC001571187636 952908880 /nfs/dbraw/zinc/90/88/80/952908880.db2.gz ABDGHKRAPFKMFB-CQSZACIVSA-N -1 3 381.444 0.752 20 0 GCADHM Cc1cn(C)nc1C(=O)N1CC[C@@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571188120 952911703 /nfs/dbraw/zinc/91/17/03/952911703.db2.gz FUUSRLDFUCKVCI-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cn(C)nc1C(=O)N1CC[C@@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571188120 952911705 /nfs/dbraw/zinc/91/17/05/952911705.db2.gz FUUSRLDFUCKVCI-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1ccnn1CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571188192 952912427 /nfs/dbraw/zinc/91/24/27/952912427.db2.gz HSOPXFQSMPEQIK-OAHLLOKOSA-N -1 3 381.444 0.942 20 0 GCADHM Cc1ccnn1CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571188192 952912432 /nfs/dbraw/zinc/91/24/32/952912432.db2.gz HSOPXFQSMPEQIK-OAHLLOKOSA-N -1 3 381.444 0.942 20 0 GCADHM Cc1nc(NC[C@@H]2CCCN2C(=O)Cc2ccn(C)n2)ccc1-c1nnn[n-]1 ZINC001571188510 952915752 /nfs/dbraw/zinc/91/57/52/952915752.db2.gz CFJAPGFUVBMGFQ-AWEZNQCLSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nc(NC[C@@H]2CCCN2C(=O)Cc2ccn(C)n2)ccc1-c1nn[n-]n1 ZINC001571188510 952915754 /nfs/dbraw/zinc/91/57/54/952915754.db2.gz CFJAPGFUVBMGFQ-AWEZNQCLSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nn(C)cc1C(=O)N1CC[C@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571188613 952916945 /nfs/dbraw/zinc/91/69/45/952916945.db2.gz LWWREXKDPANOPD-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1nn(C)cc1C(=O)N1CC[C@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571188613 952916948 /nfs/dbraw/zinc/91/69/48/952916948.db2.gz LWWREXKDPANOPD-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1nn(C)c(C)c1CC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571189193 952926768 /nfs/dbraw/zinc/92/67/68/952926768.db2.gz OIMYCQKRBJGVOA-UHFFFAOYSA-N -1 3 381.444 0.503 20 0 GCADHM Cc1nn(C)c(C)c1CC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571189193 952926770 /nfs/dbraw/zinc/92/67/70/952926770.db2.gz OIMYCQKRBJGVOA-UHFFFAOYSA-N -1 3 381.444 0.503 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001571189936 952937312 /nfs/dbraw/zinc/93/73/12/952937312.db2.gz ZSRLJGVUTHPEDX-CQSZACIVSA-N -1 3 381.444 0.798 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001571189936 952937316 /nfs/dbraw/zinc/93/73/16/952937316.db2.gz ZSRLJGVUTHPEDX-CQSZACIVSA-N -1 3 381.444 0.798 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001571189935 952937472 /nfs/dbraw/zinc/93/74/72/952937472.db2.gz ZSRLJGVUTHPEDX-AWEZNQCLSA-N -1 3 381.444 0.798 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001571189935 952937473 /nfs/dbraw/zinc/93/74/73/952937473.db2.gz ZSRLJGVUTHPEDX-AWEZNQCLSA-N -1 3 381.444 0.798 20 0 GCADHM COC[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001571190459 952941627 /nfs/dbraw/zinc/94/16/27/952941627.db2.gz IZAQEAJDSDGJLY-DTWKUNHWSA-N -1 3 382.218 0.851 20 0 GCADHM COC[C@@H]1C[C@@H](O)CN1C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001571190459 952941630 /nfs/dbraw/zinc/94/16/30/952941630.db2.gz IZAQEAJDSDGJLY-DTWKUNHWSA-N -1 3 382.218 0.851 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cnoc2C2CC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571193996 952955919 /nfs/dbraw/zinc/95/59/19/952955919.db2.gz DIXLPBKIOFLUCQ-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cnoc2C2CC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571193996 952955923 /nfs/dbraw/zinc/95/59/23/952955923.db2.gz DIXLPBKIOFLUCQ-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM CN(C(=O)c1ccc(C(N)=O)o1)C1CC(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571193963 952956179 /nfs/dbraw/zinc/95/61/79/952956179.db2.gz CAJSYEXHVDHAOW-UHFFFAOYSA-N -1 3 382.384 0.669 20 0 GCADHM CN(C(=O)c1ccc(C(N)=O)o1)C1CC(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571193963 952956183 /nfs/dbraw/zinc/95/61/83/952956183.db2.gz CAJSYEXHVDHAOW-UHFFFAOYSA-N -1 3 382.384 0.669 20 0 GCADHM O=C(c1noc2c1COCC2)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571194137 952958073 /nfs/dbraw/zinc/95/80/73/952958073.db2.gz HBZNVKUEAWBQGK-NSHDSACASA-N -1 3 382.384 0.649 20 0 GCADHM O=C(c1noc2c1COCC2)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571194137 952958081 /nfs/dbraw/zinc/95/80/81/952958081.db2.gz HBZNVKUEAWBQGK-NSHDSACASA-N -1 3 382.384 0.649 20 0 GCADHM O=C(c1ccon1)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C1 ZINC001571194163 952958410 /nfs/dbraw/zinc/95/84/10/952958410.db2.gz HPTIUZXCSHWSRO-PWSUYJOCSA-N -1 3 382.384 0.417 20 0 GCADHM O=C(c1ccon1)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C1 ZINC001571194163 952958413 /nfs/dbraw/zinc/95/84/13/952958413.db2.gz HPTIUZXCSHWSRO-PWSUYJOCSA-N -1 3 382.384 0.417 20 0 GCADHM COc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571194119 952958434 /nfs/dbraw/zinc/95/84/34/952958434.db2.gz GQHGILNHFSHYEA-LLVKDONJSA-N -1 3 382.384 0.243 20 0 GCADHM COc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571194119 952958437 /nfs/dbraw/zinc/95/84/37/952958437.db2.gz GQHGILNHFSHYEA-LLVKDONJSA-N -1 3 382.384 0.243 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194110 952958795 /nfs/dbraw/zinc/95/87/95/952958795.db2.gz GLZPLIHMEHTLJX-GFCCVEGCSA-N -1 3 382.384 0.330 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194110 952958798 /nfs/dbraw/zinc/95/87/98/952958798.db2.gz GLZPLIHMEHTLJX-GFCCVEGCSA-N -1 3 382.384 0.330 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)no1 ZINC001571194194 952960009 /nfs/dbraw/zinc/96/00/09/952960009.db2.gz INEQGMOXIZLRPH-YABSGUDNSA-N -1 3 382.384 0.246 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)no1 ZINC001571194194 952960015 /nfs/dbraw/zinc/96/00/15/952960015.db2.gz INEQGMOXIZLRPH-YABSGUDNSA-N -1 3 382.384 0.246 20 0 GCADHM C[C@@H](NC(=O)c1cc[nH]c(=O)c1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194282 952960563 /nfs/dbraw/zinc/96/05/63/952960563.db2.gz JQTDKWVWPPULDL-SECBINFHSA-N -1 3 382.384 0.186 20 0 GCADHM C[C@@H](NC(=O)c1cc[nH]c(=O)c1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194282 952960568 /nfs/dbraw/zinc/96/05/68/952960568.db2.gz JQTDKWVWPPULDL-SECBINFHSA-N -1 3 382.384 0.186 20 0 GCADHM COCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)cn2)no1 ZINC001571194302 952960672 /nfs/dbraw/zinc/96/06/72/952960672.db2.gz JYJSHWYGLXNTGV-RYUDHWBXSA-N -1 3 382.384 0.499 20 0 GCADHM COCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)cn2)no1 ZINC001571194302 952960675 /nfs/dbraw/zinc/96/06/75/952960675.db2.gz JYJSHWYGLXNTGV-RYUDHWBXSA-N -1 3 382.384 0.499 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnco1)C2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194288 952961272 /nfs/dbraw/zinc/96/12/72/952961272.db2.gz JQXALZAQUOOPPK-WCQGTBRESA-N -1 3 382.384 0.606 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnco1)C2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194288 952961275 /nfs/dbraw/zinc/96/12/75/952961275.db2.gz JQXALZAQUOOPPK-WCQGTBRESA-N -1 3 382.384 0.606 20 0 GCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1-n1ncc(-c2nnn[n-]2)c1N ZINC001571194352 952962103 /nfs/dbraw/zinc/96/21/03/952962103.db2.gz KVJUZXHHATUZCK-VHSXEESVSA-N -1 3 382.384 0.772 20 0 GCADHM COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1ccccc1-n1ncc(-c2nn[n-]n2)c1N ZINC001571194352 952962107 /nfs/dbraw/zinc/96/21/07/952962107.db2.gz KVJUZXHHATUZCK-VHSXEESVSA-N -1 3 382.384 0.772 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571194446 952962848 /nfs/dbraw/zinc/96/28/48/952962848.db2.gz NAHXGCQDINXNIR-SNVBAGLBSA-N -1 3 382.384 0.282 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571194446 952962854 /nfs/dbraw/zinc/96/28/54/952962854.db2.gz NAHXGCQDINXNIR-SNVBAGLBSA-N -1 3 382.384 0.282 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccc(=O)[nH]1 ZINC001571194429 952963419 /nfs/dbraw/zinc/96/34/19/952963419.db2.gz MHSVJPJRYOMWHK-JTQLQIEISA-N -1 3 382.384 0.188 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccc(=O)[nH]1 ZINC001571194429 952963427 /nfs/dbraw/zinc/96/34/27/952963427.db2.gz MHSVJPJRYOMWHK-JTQLQIEISA-N -1 3 382.384 0.188 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)no1 ZINC001571194458 952963738 /nfs/dbraw/zinc/96/37/38/952963738.db2.gz NLYKBPLAACXCEN-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)no1 ZINC001571194458 952963742 /nfs/dbraw/zinc/96/37/42/952963742.db2.gz NLYKBPLAACXCEN-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM CN(C(=O)c1ccc(=O)[nH]c1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194548 952965023 /nfs/dbraw/zinc/96/50/23/952965023.db2.gz OVCDICSNUOOQGQ-GFCCVEGCSA-N -1 3 382.384 0.282 20 0 GCADHM CN(C(=O)c1ccc(=O)[nH]c1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194548 952965028 /nfs/dbraw/zinc/96/50/28/952965028.db2.gz OVCDICSNUOOQGQ-GFCCVEGCSA-N -1 3 382.384 0.282 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)c1coc(C(N)=O)c1 ZINC001571194714 952967146 /nfs/dbraw/zinc/96/71/46/952967146.db2.gz RMXRGYOMFFZMOT-NOZJJQNGSA-N -1 3 382.384 0.208 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)c1coc(C(N)=O)c1 ZINC001571194714 952967152 /nfs/dbraw/zinc/96/71/52/952967152.db2.gz RMXRGYOMFFZMOT-NOZJJQNGSA-N -1 3 382.384 0.208 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccncc3F)C[C@H]21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194821 952969219 /nfs/dbraw/zinc/96/92/19/952969219.db2.gz RUVMJZCMESBEQA-YABSGUDNSA-N -1 3 382.359 0.229 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccncc3F)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194821 952969224 /nfs/dbraw/zinc/96/92/24/952969224.db2.gz RUVMJZCMESBEQA-YABSGUDNSA-N -1 3 382.359 0.229 20 0 GCADHM NC(=O)C1(O)CCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC001571194899 952971198 /nfs/dbraw/zinc/97/11/98/952971198.db2.gz VKHBSGILMHBUCL-UHFFFAOYSA-N -1 3 382.384 0.266 20 0 GCADHM NC(=O)C1(O)CCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC001571194899 952971203 /nfs/dbraw/zinc/97/12/03/952971203.db2.gz VKHBSGILMHBUCL-UHFFFAOYSA-N -1 3 382.384 0.266 20 0 GCADHM Cc1conc1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571195114 952973466 /nfs/dbraw/zinc/97/34/66/952973466.db2.gz ZGIFRXNYQOTLNX-ZWNOBZJWSA-N -1 3 382.384 0.478 20 0 GCADHM Cc1conc1C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571195114 952973470 /nfs/dbraw/zinc/97/34/70/952973470.db2.gz ZGIFRXNYQOTLNX-ZWNOBZJWSA-N -1 3 382.384 0.478 20 0 GCADHM CN(C(=O)c1coc(C(N)=O)c1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571195082 952973889 /nfs/dbraw/zinc/97/38/89/952973889.db2.gz XXRPPKOJCMCPKL-LBPRGKRZSA-N -1 3 382.384 0.305 20 0 GCADHM CN(C(=O)c1coc(C(N)=O)c1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571195082 952973897 /nfs/dbraw/zinc/97/38/97/952973897.db2.gz XXRPPKOJCMCPKL-LBPRGKRZSA-N -1 3 382.384 0.305 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)ccn1C ZINC001571199265 952997857 /nfs/dbraw/zinc/99/78/57/952997857.db2.gz OSGNXESRWWKDSI-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)ccn1C ZINC001571199265 952997864 /nfs/dbraw/zinc/99/78/64/952997864.db2.gz OSGNXESRWWKDSI-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM COc1cc(C(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)nn1C ZINC001571199311 952999984 /nfs/dbraw/zinc/99/99/84/952999984.db2.gz PKDOIXSZVLZIPZ-UHFFFAOYSA-N -1 3 382.428 0.565 20 0 GCADHM COc1cc(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)nn1C ZINC001571199311 952999990 /nfs/dbraw/zinc/99/99/90/952999990.db2.gz PKDOIXSZVLZIPZ-UHFFFAOYSA-N -1 3 382.428 0.565 20 0 GCADHM C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571199647 953002814 /nfs/dbraw/zinc/00/28/14/953002814.db2.gz XOOYUEDZMLTIDR-VXGBXAGGSA-N -1 3 382.428 0.671 20 0 GCADHM C[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571199647 953002817 /nfs/dbraw/zinc/00/28/17/953002817.db2.gz XOOYUEDZMLTIDR-VXGBXAGGSA-N -1 3 382.428 0.671 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)[nH]n1 ZINC001571200827 953013056 /nfs/dbraw/zinc/01/30/56/953013056.db2.gz GQLNPEZKCUDNNU-HNNXBMFYSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1C ZINC001571200861 953013166 /nfs/dbraw/zinc/01/31/66/953013166.db2.gz HBSQRNFCTXESRZ-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1C ZINC001571200861 953013167 /nfs/dbraw/zinc/01/31/67/953013167.db2.gz HBSQRNFCTXESRZ-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM CCOC(=O)C1([S@@](C)=O)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571201177 953016410 /nfs/dbraw/zinc/01/64/10/953016410.db2.gz OZXLMTBENIRBTP-AREMUKBSSA-N -1 3 382.421 0.681 20 0 GCADHM CCOC(=O)C1([S@@](C)=O)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571201177 953016413 /nfs/dbraw/zinc/01/64/13/953016413.db2.gz OZXLMTBENIRBTP-AREMUKBSSA-N -1 3 382.421 0.681 20 0 GCADHM Cc1ccc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)n1C ZINC001571201314 953016541 /nfs/dbraw/zinc/01/65/41/953016541.db2.gz JYCBTHKGOFQHMC-WCQYABFASA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)n1C ZINC001571201314 953016547 /nfs/dbraw/zinc/01/65/47/953016547.db2.gz JYCBTHKGOFQHMC-WCQYABFASA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1C ZINC001571201716 953019944 /nfs/dbraw/zinc/01/99/44/953019944.db2.gz NLULHNRGMMYMME-CYBMUJFWSA-N -1 3 382.428 0.828 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1C ZINC001571201716 953019947 /nfs/dbraw/zinc/01/99/47/953019947.db2.gz NLULHNRGMMYMME-CYBMUJFWSA-N -1 3 382.428 0.828 20 0 GCADHM Cc1ccn(C)c1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571202033 953022369 /nfs/dbraw/zinc/02/23/69/953022369.db2.gz QENZBMLSOQJMCN-CQSZACIVSA-N -1 3 382.428 0.544 20 0 GCADHM Cc1ccn(C)c1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571202033 953022373 /nfs/dbraw/zinc/02/23/73/953022373.db2.gz QENZBMLSOQJMCN-CQSZACIVSA-N -1 3 382.428 0.544 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccc1 ZINC001571202135 953023338 /nfs/dbraw/zinc/02/33/38/953023338.db2.gz VQPLGVKDIREAOF-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccc1 ZINC001571202135 953023343 /nfs/dbraw/zinc/02/33/43/953023343.db2.gz VQPLGVKDIREAOF-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cccn1C ZINC001571202448 953024862 /nfs/dbraw/zinc/02/48/62/953024862.db2.gz XGDGGAFINCZASC-RYUDHWBXSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cccn1C ZINC001571202448 953024866 /nfs/dbraw/zinc/02/48/66/953024866.db2.gz XGDGGAFINCZASC-RYUDHWBXSA-N -1 3 382.428 0.956 20 0 GCADHM CCc1c[nH]c(CC(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571204591 953030334 /nfs/dbraw/zinc/03/03/34/953030334.db2.gz BJSNYJITJIHBCZ-GFCCVEGCSA-N -1 3 382.432 0.270 20 0 GCADHM CCc1c[nH]c(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H]2C)n1 ZINC001571204530 953030360 /nfs/dbraw/zinc/03/03/60/953030360.db2.gz AHKOLXMVERXXEZ-CMPLNLGQSA-N -1 3 382.432 0.586 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cn(C)nn2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571204852 953032365 /nfs/dbraw/zinc/03/23/65/953032365.db2.gz CXQYOUGTXMCIPT-FZMZJTMJSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cn(C)nn2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571204852 953032371 /nfs/dbraw/zinc/03/23/71/953032371.db2.gz CXQYOUGTXMCIPT-FZMZJTMJSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571204851 953032692 /nfs/dbraw/zinc/03/26/92/953032692.db2.gz CXQYOUGTXMCIPT-BXUZGUMPSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571204851 953032696 /nfs/dbraw/zinc/03/26/96/953032696.db2.gz CXQYOUGTXMCIPT-BXUZGUMPSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@H](C(=O)N1CCC(C)(Nc2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001571204957 953034982 /nfs/dbraw/zinc/03/49/82/953034982.db2.gz DWYBJYHKROYJBZ-GFCCVEGCSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCC(C)(Nc2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001571204957 953034990 /nfs/dbraw/zinc/03/49/90/953034990.db2.gz DWYBJYHKROYJBZ-GFCCVEGCSA-N -1 3 382.432 0.907 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC001571204950 953035198 /nfs/dbraw/zinc/03/51/98/953035198.db2.gz DPXYHIGWJBUWOQ-OAHLLOKOSA-N -1 3 382.428 0.231 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC001571204950 953035203 /nfs/dbraw/zinc/03/52/03/953035203.db2.gz DPXYHIGWJBUWOQ-OAHLLOKOSA-N -1 3 382.428 0.231 20 0 GCADHM CCc1cc(C(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)[nH]n1 ZINC001571205475 953039474 /nfs/dbraw/zinc/03/94/74/953039474.db2.gz JOZXRQBYBPELQM-CYBMUJFWSA-N -1 3 382.432 0.905 20 0 GCADHM CCc1nnc(N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc1CC ZINC001571205628 953040057 /nfs/dbraw/zinc/04/00/57/953040057.db2.gz MAHMESLPSQJHMM-LLVKDONJSA-N -1 3 382.432 0.831 20 0 GCADHM CCc1nnc(N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc1CC ZINC001571205628 953040060 /nfs/dbraw/zinc/04/00/60/953040060.db2.gz MAHMESLPSQJHMM-LLVKDONJSA-N -1 3 382.432 0.831 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571205645 953040203 /nfs/dbraw/zinc/04/02/03/953040203.db2.gz MJHFWKNCOOARQF-JQWIXIFHSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571205645 953040205 /nfs/dbraw/zinc/04/02/05/953040205.db2.gz MJHFWKNCOOARQF-JQWIXIFHSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cnn(C)n2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571205692 953041316 /nfs/dbraw/zinc/04/13/16/953041316.db2.gz MZARLQGXJDKKJY-NHYWBVRUSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cnn(C)n2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571205692 953041321 /nfs/dbraw/zinc/04/13/21/953041321.db2.gz MZARLQGXJDKKJY-NHYWBVRUSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571205693 953041497 /nfs/dbraw/zinc/04/14/97/953041497.db2.gz MZARLQGXJDKKJY-XHDPSFHLSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571205693 953041503 /nfs/dbraw/zinc/04/15/03/953041503.db2.gz MZARLQGXJDKKJY-XHDPSFHLSA-N -1 3 382.432 0.282 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571205798 953042717 /nfs/dbraw/zinc/04/27/17/953042717.db2.gz BEXAFLBTOSQHDS-ZDUSSCGKSA-N -1 3 382.432 0.255 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571205798 953042722 /nfs/dbraw/zinc/04/27/22/953042722.db2.gz BEXAFLBTOSQHDS-ZDUSSCGKSA-N -1 3 382.432 0.255 20 0 GCADHM CC(C)(C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)c1cnc[nH]1 ZINC001571205773 953042800 /nfs/dbraw/zinc/04/28/00/953042800.db2.gz LTQPAHDEPQKCKR-UHFFFAOYSA-N -1 3 382.432 0.396 20 0 GCADHM CC(C)(C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)c1cnc[nH]1 ZINC001571205773 953042804 /nfs/dbraw/zinc/04/28/04/953042804.db2.gz LTQPAHDEPQKCKR-UHFFFAOYSA-N -1 3 382.432 0.396 20 0 GCADHM Cc1cc(C(=O)N(C)C2CCC(Nc3ccnc(-c4nnn[n-]4)n3)CC2)[nH]n1 ZINC001571205840 953043637 /nfs/dbraw/zinc/04/36/37/953043637.db2.gz BUBXHSOYPLTXKB-UHFFFAOYSA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N(C)C2CCC(Nc3ccnc(-c4nnn[n-]4)n3)CC2)n[nH]1 ZINC001571205840 953043640 /nfs/dbraw/zinc/04/36/40/953043640.db2.gz BUBXHSOYPLTXKB-UHFFFAOYSA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N(C)C2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)[nH]n1 ZINC001571205840 953043644 /nfs/dbraw/zinc/04/36/44/953043644.db2.gz BUBXHSOYPLTXKB-UHFFFAOYSA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N(C)C2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)n[nH]1 ZINC001571205840 953043649 /nfs/dbraw/zinc/04/36/49/953043649.db2.gz BUBXHSOYPLTXKB-UHFFFAOYSA-N -1 3 382.432 0.605 20 0 GCADHM CCc1nc[nH]c1C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571205882 953044084 /nfs/dbraw/zinc/04/40/84/953044084.db2.gz NIZCLMKCCTVZNV-MNOVXSKESA-N -1 3 382.432 0.966 20 0 GCADHM CCc1nc(NC2CCN(C(=O)Cc3cnc[nH]3)CC2)cc(-c2nnn[n-]2)n1 ZINC001571205967 953044545 /nfs/dbraw/zinc/04/45/45/953044545.db2.gz PGKHKWGNELOEIX-UHFFFAOYSA-N -1 3 382.432 0.588 20 0 GCADHM CCc1nc(NC2CCN(C(=O)Cc3cnc[nH]3)CC2)cc(-c2nn[n-]n2)n1 ZINC001571205967 953044548 /nfs/dbraw/zinc/04/45/48/953044548.db2.gz PGKHKWGNELOEIX-UHFFFAOYSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@H]1CN(C(=O)CCn2cncn2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571206022 953046121 /nfs/dbraw/zinc/04/61/21/953046121.db2.gz QYBAZZOGNKSXSL-GXTWGEPZSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H]1CN(C(=O)CCn2cncn2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571206022 953046123 /nfs/dbraw/zinc/04/61/23/953046123.db2.gz QYBAZZOGNKSXSL-GXTWGEPZSA-N -1 3 382.432 0.592 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571206105 953047163 /nfs/dbraw/zinc/04/71/63/953047163.db2.gz DGJJJWNLUGNVOZ-CMPLNLGQSA-N -1 3 382.432 0.404 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CC[C@H](C)N(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571206105 953047166 /nfs/dbraw/zinc/04/71/66/953047166.db2.gz DGJJJWNLUGNVOZ-CMPLNLGQSA-N -1 3 382.432 0.404 20 0 GCADHM CCc1nc(N[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571206229 953048300 /nfs/dbraw/zinc/04/83/00/953048300.db2.gz SLTWAXCHBPBLKJ-LLVKDONJSA-N -1 3 382.432 0.506 20 0 GCADHM C[C@H]1CN(C(=O)Cc2cncn2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571206366 953050420 /nfs/dbraw/zinc/05/04/20/953050420.db2.gz UIRGYQZUCRPDNB-NWDGAFQWSA-N -1 3 382.432 0.139 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)n1 ZINC001571206468 953051264 /nfs/dbraw/zinc/05/12/64/953051264.db2.gz HEAXBNPSFMUVAM-PHIMTYICSA-N -1 3 382.432 0.725 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2C[C@@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)n1 ZINC001571206468 953051267 /nfs/dbraw/zinc/05/12/67/953051267.db2.gz HEAXBNPSFMUVAM-PHIMTYICSA-N -1 3 382.432 0.725 20 0 GCADHM O=C(Cc1ccc[nH]1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571206516 953051656 /nfs/dbraw/zinc/05/16/56/953051656.db2.gz QONFNQAAVMHARG-HNNXBMFYSA-N -1 3 382.428 0.862 20 0 GCADHM O=C(Cc1ccc[nH]1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571206516 953051660 /nfs/dbraw/zinc/05/16/60/953051660.db2.gz QONFNQAAVMHARG-HNNXBMFYSA-N -1 3 382.428 0.862 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571206502 953051955 /nfs/dbraw/zinc/05/19/55/953051955.db2.gz VBZQQPLGMPTZKN-DGCLKSJQSA-N -1 3 382.432 0.662 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571206502 953051959 /nfs/dbraw/zinc/05/19/59/953051959.db2.gz VBZQQPLGMPTZKN-DGCLKSJQSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001571206548 953052068 /nfs/dbraw/zinc/05/20/68/953052068.db2.gz QTADERILSSGJGS-TZMCWYRMSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001571206548 953052073 /nfs/dbraw/zinc/05/20/73/953052073.db2.gz QTADERILSSGJGS-TZMCWYRMSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001571206545 953052199 /nfs/dbraw/zinc/05/21/99/953052199.db2.gz QTADERILSSGJGS-OCCSQVGLSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001571206545 953052202 /nfs/dbraw/zinc/05/22/02/953052202.db2.gz QTADERILSSGJGS-OCCSQVGLSA-N -1 3 382.432 0.590 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001571206690 953053529 /nfs/dbraw/zinc/05/35/29/953053529.db2.gz JEQWAOUCZGTJDM-LBPRGKRZSA-N -1 3 382.432 0.472 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001571206690 953053533 /nfs/dbraw/zinc/05/35/33/953053533.db2.gz JEQWAOUCZGTJDM-LBPRGKRZSA-N -1 3 382.432 0.472 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C)n1 ZINC001571206683 953054027 /nfs/dbraw/zinc/05/40/27/953054027.db2.gz IXLYPSFGHBDFLU-RYUDHWBXSA-N -1 3 382.432 0.978 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@@H]2C)n1 ZINC001571206683 953054032 /nfs/dbraw/zinc/05/40/32/953054032.db2.gz IXLYPSFGHBDFLU-RYUDHWBXSA-N -1 3 382.432 0.978 20 0 GCADHM Cc1[nH]nc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)[C@H](C)C2)c1C ZINC001571206708 953054103 /nfs/dbraw/zinc/05/41/03/953054103.db2.gz JPYVQTUQSAABGH-SKDRFNHKSA-N -1 3 382.432 0.784 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H]([C@H](C)Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571206696 953054132 /nfs/dbraw/zinc/05/41/32/953054132.db2.gz JKGRZBQAMLBKCS-RYUDHWBXSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H]([C@H](C)Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571206696 953054135 /nfs/dbraw/zinc/05/41/35/953054135.db2.gz JKGRZBQAMLBKCS-RYUDHWBXSA-N -1 3 382.432 0.836 20 0 GCADHM CCc1c(C(=O)N2CCCN(c3cncc(-c4nnn[n-]4)n3)CC2)cnn1C ZINC001571206741 953054840 /nfs/dbraw/zinc/05/48/40/953054840.db2.gz XAHZGMLVIIIHKR-UHFFFAOYSA-N -1 3 382.432 0.305 20 0 GCADHM CCc1c(C(=O)N2CCCN(c3cncc(-c4nn[n-]n4)n3)CC2)cnn1C ZINC001571206741 953054843 /nfs/dbraw/zinc/05/48/43/953054843.db2.gz XAHZGMLVIIIHKR-UHFFFAOYSA-N -1 3 382.432 0.305 20 0 GCADHM CCN(C(=O)c1cnn(CC)c1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206747 953054923 /nfs/dbraw/zinc/05/49/23/953054923.db2.gz XAWDQZXJDQTXRQ-CYBMUJFWSA-N -1 3 382.432 0.614 20 0 GCADHM CCN(C(=O)c1cnn(CC)c1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206747 953054927 /nfs/dbraw/zinc/05/49/27/953054927.db2.gz XAWDQZXJDQTXRQ-CYBMUJFWSA-N -1 3 382.432 0.614 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)c3cncn3C)C[C@H]2C)n1 ZINC001571206770 953055031 /nfs/dbraw/zinc/05/50/31/953055031.db2.gz KNYGEWMAYPFTBY-ZYHUDNBSSA-N -1 3 382.432 0.519 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)c3cncn3C)C[C@H]2C)n1 ZINC001571206770 953055034 /nfs/dbraw/zinc/05/50/34/953055034.db2.gz KNYGEWMAYPFTBY-ZYHUDNBSSA-N -1 3 382.432 0.519 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)c3cncn3C)C[C@@H]2C)n1 ZINC001571206766 953055263 /nfs/dbraw/zinc/05/52/63/953055263.db2.gz KNYGEWMAYPFTBY-JQWIXIFHSA-N -1 3 382.432 0.519 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)c3cncn3C)C[C@@H]2C)n1 ZINC001571206766 953055266 /nfs/dbraw/zinc/05/52/66/953055266.db2.gz KNYGEWMAYPFTBY-JQWIXIFHSA-N -1 3 382.432 0.519 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)c3cncn3C)C[C@@H]2C)n1 ZINC001571206764 953055386 /nfs/dbraw/zinc/05/53/86/953055386.db2.gz KNYGEWMAYPFTBY-CMPLNLGQSA-N -1 3 382.432 0.519 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)c3cncn3C)C[C@@H]2C)n1 ZINC001571206764 953055390 /nfs/dbraw/zinc/05/53/90/953055390.db2.gz KNYGEWMAYPFTBY-CMPLNLGQSA-N -1 3 382.432 0.519 20 0 GCADHM CCn1cc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001571206726 953055433 /nfs/dbraw/zinc/05/54/33/953055433.db2.gz WUGNHVHEMPRVQD-CYBMUJFWSA-N -1 3 382.432 0.980 20 0 GCADHM CCn1cc(C(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001571206726 953055436 /nfs/dbraw/zinc/05/54/36/953055436.db2.gz WUGNHVHEMPRVQD-CYBMUJFWSA-N -1 3 382.432 0.980 20 0 GCADHM O=C(c1ccc[nH]1)N1CCC(N(CCO)c2ncccc2-c2nnn[n-]2)CC1 ZINC001571206923 953056983 /nfs/dbraw/zinc/05/69/83/953056983.db2.gz TXCFPUALNXNDMP-UHFFFAOYSA-N -1 3 382.428 0.693 20 0 GCADHM O=C(c1ccc[nH]1)N1CCC(N(CCO)c2ncccc2-c2nn[n-]n2)CC1 ZINC001571206923 953056988 /nfs/dbraw/zinc/05/69/88/953056988.db2.gz TXCFPUALNXNDMP-UHFFFAOYSA-N -1 3 382.428 0.693 20 0 GCADHM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCCN2C(=O)c2cc[nH]n2)n1 ZINC001571206893 953057124 /nfs/dbraw/zinc/05/71/24/953057124.db2.gz YTSDNBHTUGGRSG-NSHDSACASA-N -1 3 382.432 0.683 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571206883 953057581 /nfs/dbraw/zinc/05/75/81/953057581.db2.gz SGZLFSXRLDIVOW-TXEJJXNPSA-N -1 3 382.432 0.981 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571206883 953057583 /nfs/dbraw/zinc/05/75/83/953057583.db2.gz SGZLFSXRLDIVOW-TXEJJXNPSA-N -1 3 382.432 0.981 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571207017 953058354 /nfs/dbraw/zinc/05/83/54/953058354.db2.gz ZTHORPFIKMADSK-QWHCGFSZSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571207017 953058358 /nfs/dbraw/zinc/05/83/58/953058358.db2.gz ZTHORPFIKMADSK-QWHCGFSZSA-N -1 3 382.432 0.592 20 0 GCADHM CCc1c[nH]c(CC(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571206998 953058515 /nfs/dbraw/zinc/05/85/15/953058515.db2.gz ZBUVFBAMDGKEFJ-ZWNOBZJWSA-N -1 3 382.432 0.444 20 0 GCADHM CCn1ncc(C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571207043 953058893 /nfs/dbraw/zinc/05/88/93/953058893.db2.gz LUOGSSMFVIIBMF-UHFFFAOYSA-N -1 3 382.432 0.837 20 0 GCADHM CCn1ncc(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571207043 953058896 /nfs/dbraw/zinc/05/88/96/953058896.db2.gz LUOGSSMFVIIBMF-UHFFFAOYSA-N -1 3 382.432 0.837 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)CCn3ccnc3)C[C@H]2C)n1 ZINC001571207098 953059168 /nfs/dbraw/zinc/05/91/68/953059168.db2.gz MXUPEUSFYYOPGK-RISCZKNCSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)CCn3ccnc3)C[C@H]2C)n1 ZINC001571207098 953059172 /nfs/dbraw/zinc/05/91/72/953059172.db2.gz MXUPEUSFYYOPGK-RISCZKNCSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)CCn3ccnc3)C[C@@H]2C)n1 ZINC001571207096 953059251 /nfs/dbraw/zinc/05/92/51/953059251.db2.gz MXUPEUSFYYOPGK-FZMZJTMJSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)CCn3ccnc3)C[C@@H]2C)n1 ZINC001571207096 953059252 /nfs/dbraw/zinc/05/92/52/953059252.db2.gz MXUPEUSFYYOPGK-FZMZJTMJSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC2(C)CCN(C(=O)Cc3cc[nH]n3)CC2)n1 ZINC001571207232 953060901 /nfs/dbraw/zinc/06/09/01/953060901.db2.gz OTXJRACJLQVABG-UHFFFAOYSA-N -1 3 382.432 0.724 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(NC2(C)CCN(C(=O)Cc3cc[nH]n3)CC2)n1 ZINC001571207232 953060905 /nfs/dbraw/zinc/06/09/05/953060905.db2.gz OTXJRACJLQVABG-UHFFFAOYSA-N -1 3 382.432 0.724 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]cn2)n1 ZINC001571207321 953061956 /nfs/dbraw/zinc/06/19/56/953061956.db2.gz QUEZVFWJZYQCMV-CHWSQXEVSA-N -1 3 382.432 0.770 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)Cc2c[nH]cn2)n1 ZINC001571207321 953061958 /nfs/dbraw/zinc/06/19/58/953061958.db2.gz QUEZVFWJZYQCMV-CHWSQXEVSA-N -1 3 382.432 0.770 20 0 GCADHM CCn1nncc1C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571207490 953063751 /nfs/dbraw/zinc/06/37/51/953063751.db2.gz UMLUHHDBZLQFDW-UHFFFAOYSA-N -1 3 382.432 0.837 20 0 GCADHM CCn1nncc1C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571207490 953063754 /nfs/dbraw/zinc/06/37/54/953063754.db2.gz UMLUHHDBZLQFDW-UHFFFAOYSA-N -1 3 382.432 0.837 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001571210583 953073029 /nfs/dbraw/zinc/07/30/29/953073029.db2.gz SWUBMSRJDHWOFA-ZDUSSCGKSA-N -1 3 382.432 0.425 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001571210583 953073033 /nfs/dbraw/zinc/07/30/33/953073033.db2.gz SWUBMSRJDHWOFA-ZDUSSCGKSA-N -1 3 382.432 0.425 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571211412 953076591 /nfs/dbraw/zinc/07/65/91/953076591.db2.gz ADRGABNFAWQMKR-YPMHNXCESA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571211412 953076592 /nfs/dbraw/zinc/07/65/92/953076592.db2.gz ADRGABNFAWQMKR-YPMHNXCESA-N -1 3 382.432 0.335 20 0 GCADHM Cn1cncc1CC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211626 953078618 /nfs/dbraw/zinc/07/86/18/953078618.db2.gz CXMQRLBZEDTXBA-LBPRGKRZSA-N -1 3 382.432 0.283 20 0 GCADHM Cc1nnc(CC(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)[nH]1 ZINC001571211813 953082073 /nfs/dbraw/zinc/08/20/73/953082073.db2.gz GGVVFROWDXRKMR-UHFFFAOYSA-N -1 3 382.432 0.641 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)Cn3cncn3)[C@H]2C)n1 ZINC001571211930 953082633 /nfs/dbraw/zinc/08/26/33/953082633.db2.gz ISUUPQCASPVAQE-OCCSQVGLSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)Cn3cncn3)[C@H]2C)n1 ZINC001571211930 953082636 /nfs/dbraw/zinc/08/26/36/953082636.db2.gz ISUUPQCASPVAQE-OCCSQVGLSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)Cn3cncn3)[C@@H]2C)n1 ZINC001571211929 953082934 /nfs/dbraw/zinc/08/29/34/953082934.db2.gz ISUUPQCASPVAQE-JSGCOSHPSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)Cn3cncn3)[C@@H]2C)n1 ZINC001571211929 953082937 /nfs/dbraw/zinc/08/29/37/953082937.db2.gz ISUUPQCASPVAQE-JSGCOSHPSA-N -1 3 382.432 0.335 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571212370 953088456 /nfs/dbraw/zinc/08/84/56/953088456.db2.gz MTYHFYNQMTZPPL-AAEUAGOBSA-N -1 3 382.432 0.791 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571212370 953088461 /nfs/dbraw/zinc/08/84/61/953088461.db2.gz MTYHFYNQMTZPPL-AAEUAGOBSA-N -1 3 382.432 0.791 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)CC2CCN(C(=O)c3cn[nH]n3)CC2)n1 ZINC001571212841 953090084 /nfs/dbraw/zinc/09/00/84/953090084.db2.gz POWUYPGUSMRVMG-UHFFFAOYSA-N -1 3 382.432 0.677 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C2)ccc1-c1nnn[n-]1 ZINC001571212831 953090174 /nfs/dbraw/zinc/09/01/74/953090174.db2.gz PLOHBVSEHXTRED-CYBMUJFWSA-N -1 3 382.432 0.344 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)CCc3cnn(C)n3)C2)ccc1-c1nn[n-]n1 ZINC001571212831 953090177 /nfs/dbraw/zinc/09/01/77/953090177.db2.gz PLOHBVSEHXTRED-CYBMUJFWSA-N -1 3 382.432 0.344 20 0 GCADHM Cc1nc(N[C@@H]2CCC[C@@H](NC(=O)Cn3cncn3)C2)ccc1-c1nnn[n-]1 ZINC001571213009 953092372 /nfs/dbraw/zinc/09/23/72/953092372.db2.gz PSHBBWQLVOTVBB-CHWSQXEVSA-N -1 3 382.432 0.701 20 0 GCADHM Cc1nc(N[C@@H]2CCC[C@@H](NC(=O)Cn3cncn3)C2)ccc1-c1nn[n-]n1 ZINC001571213009 953092375 /nfs/dbraw/zinc/09/23/75/953092375.db2.gz PSHBBWQLVOTVBB-CHWSQXEVSA-N -1 3 382.432 0.701 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571213182 953093049 /nfs/dbraw/zinc/09/30/49/953093049.db2.gz ROVIEVQPPUVOKD-VXGBXAGGSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571213182 953093050 /nfs/dbraw/zinc/09/30/50/953093050.db2.gz ROVIEVQPPUVOKD-VXGBXAGGSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571213176 953093156 /nfs/dbraw/zinc/09/31/56/953093156.db2.gz ROVIEVQPPUVOKD-NEPJUHHUSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@H](NC(=O)c3ncn(C)n3)C2)n1 ZINC001571213176 953093158 /nfs/dbraw/zinc/09/31/58/953093158.db2.gz ROVIEVQPPUVOKD-NEPJUHHUSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001571213481 953095449 /nfs/dbraw/zinc/09/54/49/953095449.db2.gz UVYPADRJCKRLRZ-ZDUSSCGKSA-N -1 3 382.432 0.819 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)c1F ZINC001571217380 953108510 /nfs/dbraw/zinc/10/85/10/953108510.db2.gz JZHWMRQQMOWXFS-CABCVRRESA-N -1 3 383.387 0.689 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)c1F ZINC001571217380 953108513 /nfs/dbraw/zinc/10/85/13/953108513.db2.gz JZHWMRQQMOWXFS-CABCVRRESA-N -1 3 383.387 0.689 20 0 GCADHM C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001571217564 953109204 /nfs/dbraw/zinc/10/92/04/953109204.db2.gz NPADVAAYPIYKDR-SKDRFNHKSA-N -1 3 383.391 0.951 20 0 GCADHM C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001571217564 953109206 /nfs/dbraw/zinc/10/92/06/953109206.db2.gz NPADVAAYPIYKDR-SKDRFNHKSA-N -1 3 383.391 0.951 20 0 GCADHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001571218546 953116187 /nfs/dbraw/zinc/11/61/87/953116187.db2.gz AXFCZAIIUIDGPD-XWIASGKRSA-N -1 3 383.405 0.396 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@@]2(CCN(c3cnc(F)cn3)C2)C1 ZINC001571218571 953117537 /nfs/dbraw/zinc/11/75/37/953117537.db2.gz BRDOOAGYEPUCMV-QGZVFWFLSA-N -1 3 383.391 0.867 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@]2(CCN(c3cnc(F)cn3)C2)C1 ZINC001571218571 953117539 /nfs/dbraw/zinc/11/75/39/953117539.db2.gz BRDOOAGYEPUCMV-QGZVFWFLSA-N -1 3 383.391 0.867 20 0 GCADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1NC(=O)c1coc(C)n1 ZINC001571218653 953117833 /nfs/dbraw/zinc/11/78/33/953117833.db2.gz DDQQLHWDBSRMFX-GDBMZVCRSA-N -1 3 383.412 0.792 20 0 GCADHM O=C([C@@H]1CC1(F)F)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571218927 953120681 /nfs/dbraw/zinc/12/06/81/953120681.db2.gz SMHJSYPBGKASFN-ZJUUUORDSA-N -1 3 383.334 0.695 20 0 GCADHM O=C([C@@H]1CC1(F)F)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571218927 953120684 /nfs/dbraw/zinc/12/06/84/953120684.db2.gz SMHJSYPBGKASFN-ZJUUUORDSA-N -1 3 383.334 0.695 20 0 GCADHM Cc1nn(C)c(N2CCN(Cc3cccc(N(C)C)n3)CC2)c1-c1nnn[n-]1 ZINC001571219044 953122905 /nfs/dbraw/zinc/12/29/05/953122905.db2.gz SVDBOEAGMJFQTL-UHFFFAOYSA-N -1 3 382.476 0.692 20 0 GCADHM Cc1nn(C)c(N2CCN(Cc3cccc(N(C)C)n3)CC2)c1-c1nn[n-]n1 ZINC001571219044 953122909 /nfs/dbraw/zinc/12/29/09/953122909.db2.gz SVDBOEAGMJFQTL-UHFFFAOYSA-N -1 3 382.476 0.692 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001571219296 953124452 /nfs/dbraw/zinc/12/44/52/953124452.db2.gz NNGMODXMMBZLIU-GXFFZTMASA-N -1 3 383.391 0.783 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001571219296 953124453 /nfs/dbraw/zinc/12/44/53/953124453.db2.gz NNGMODXMMBZLIU-GXFFZTMASA-N -1 3 383.391 0.783 20 0 GCADHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1CNC(=O)c1ccncn1 ZINC001571219560 953126019 /nfs/dbraw/zinc/12/60/19/953126019.db2.gz PYFKZLPTIRUFGB-ZYHUDNBSSA-N -1 3 383.391 0.693 20 0 GCADHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1CNC(=O)c1ccncn1 ZINC001571219560 953126023 /nfs/dbraw/zinc/12/60/23/953126023.db2.gz PYFKZLPTIRUFGB-ZYHUDNBSSA-N -1 3 383.391 0.693 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571219693 953126585 /nfs/dbraw/zinc/12/65/85/953126585.db2.gz QDUKYDZFKYEZPT-VXGBXAGGSA-N -1 3 383.412 0.855 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571219693 953126589 /nfs/dbraw/zinc/12/65/89/953126589.db2.gz QDUKYDZFKYEZPT-VXGBXAGGSA-N -1 3 383.412 0.855 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@H]2[C@@H](CCN2c2cnc(F)cn2)C1 ZINC001571219908 953127562 /nfs/dbraw/zinc/12/75/62/953127562.db2.gz SRUUOYXZOHQQDF-GWCFXTLKSA-N -1 3 383.391 0.865 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@H]2[C@@H](CCN2c2cnc(F)cn2)C1 ZINC001571219908 953127566 /nfs/dbraw/zinc/12/75/66/953127566.db2.gz SRUUOYXZOHQQDF-GWCFXTLKSA-N -1 3 383.391 0.865 20 0 GCADHM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571220003 953128117 /nfs/dbraw/zinc/12/81/17/953128117.db2.gz WURPFJSNDRRBJE-SECBINFHSA-N -1 3 383.409 0.088 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1NC(=O)Cc1ccoc1 ZINC001571220110 953128497 /nfs/dbraw/zinc/12/84/97/953128497.db2.gz XCGZADSXKJCYRD-AWEZNQCLSA-N -1 3 383.412 0.997 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1NC(=O)Cc1ccoc1 ZINC001571220110 953128500 /nfs/dbraw/zinc/12/85/00/953128500.db2.gz XCGZADSXKJCYRD-AWEZNQCLSA-N -1 3 383.412 0.997 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(c1ncccc1-c1nnn[n-]1)CC2)C1=COCCO1 ZINC001571222134 953131512 /nfs/dbraw/zinc/13/15/12/953131512.db2.gz CWXFMUSJIKZOBL-RDTXWAMCSA-N -1 3 383.412 0.768 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(c1ncccc1-c1nn[n-]n1)CC2)C1=COCCO1 ZINC001571222134 953131514 /nfs/dbraw/zinc/13/15/14/953131514.db2.gz CWXFMUSJIKZOBL-RDTXWAMCSA-N -1 3 383.412 0.768 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571222136 953131735 /nfs/dbraw/zinc/13/17/35/953131735.db2.gz CXIOVLLFZUGPRQ-JQWIXIFHSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571222136 953131737 /nfs/dbraw/zinc/13/17/37/953131737.db2.gz CXIOVLLFZUGPRQ-JQWIXIFHSA-N -1 3 383.416 0.664 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cn(C)c(=O)[nH]1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571222265 953132062 /nfs/dbraw/zinc/13/20/62/953132062.db2.gz BVVACQQQZDVOAC-GFCCVEGCSA-N -1 3 383.416 0.442 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cn(C)c(=O)[nH]1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571222265 953132063 /nfs/dbraw/zinc/13/20/63/953132063.db2.gz BVVACQQQZDVOAC-GFCCVEGCSA-N -1 3 383.416 0.442 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cncn1C ZINC001571222187 953132324 /nfs/dbraw/zinc/13/23/24/953132324.db2.gz DRGBQSSBCSVZDS-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cncn1C ZINC001571222187 953132326 /nfs/dbraw/zinc/13/23/26/953132326.db2.gz DRGBQSSBCSVZDS-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM COc1c(C(=O)NC2CCN(c3ncccc3-c3nnn[n-]3)CC2)cnn1C ZINC001571222226 953132508 /nfs/dbraw/zinc/13/25/08/953132508.db2.gz AMMINVNWXDEKJQ-UHFFFAOYSA-N -1 3 383.416 0.403 20 0 GCADHM COc1c(C(=O)NC2CCN(c3ncccc3-c3nn[n-]n3)CC2)cnn1C ZINC001571222226 953132512 /nfs/dbraw/zinc/13/25/12/953132512.db2.gz AMMINVNWXDEKJQ-UHFFFAOYSA-N -1 3 383.416 0.403 20 0 GCADHM CN(Cc1noc(C2CC2)n1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222258 953132562 /nfs/dbraw/zinc/13/25/62/953132562.db2.gz BLMOQSAOKCONAE-LBPRGKRZSA-N -1 3 383.416 0.802 20 0 GCADHM CN(Cc1noc(C2CC2)n1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222258 953132566 /nfs/dbraw/zinc/13/25/66/953132566.db2.gz BLMOQSAOKCONAE-LBPRGKRZSA-N -1 3 383.416 0.802 20 0 GCADHM CCn1cnc(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571222227 953132641 /nfs/dbraw/zinc/13/26/41/953132641.db2.gz APUCSIXMNYEZAO-UMSPYCQHSA-N -1 3 383.416 0.350 20 0 GCADHM CCn1cnc(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571222227 953132643 /nfs/dbraw/zinc/13/26/43/953132643.db2.gz APUCSIXMNYEZAO-UMSPYCQHSA-N -1 3 383.416 0.350 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CNCc1cn(C2CN(C(C)=O)C2)nn1 ZINC001571222222 953132671 /nfs/dbraw/zinc/13/26/71/953132671.db2.gz ADWPTOHXOVYJQA-UHFFFAOYSA-N -1 3 383.416 0.160 20 0 GCADHM CCn1ccnc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571222224 953132695 /nfs/dbraw/zinc/13/26/95/953132695.db2.gz AHGBIVQZKGXCCV-PWSUYJOCSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1ccnc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571222224 953132697 /nfs/dbraw/zinc/13/26/97/953132697.db2.gz AHGBIVQZKGXCCV-PWSUYJOCSA-N -1 3 383.416 0.444 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]2O)o1 ZINC001571222277 953133195 /nfs/dbraw/zinc/13/31/95/953133195.db2.gz FYPAJPCJTZQYNK-ZIAGYGMSSA-N -1 3 383.412 0.759 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]2O)o1 ZINC001571222277 953133197 /nfs/dbraw/zinc/13/31/97/953133197.db2.gz FYPAJPCJTZQYNK-ZIAGYGMSSA-N -1 3 383.412 0.759 20 0 GCADHM CCc1nc[nH]c1C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571222425 953134000 /nfs/dbraw/zinc/13/40/00/953134000.db2.gz FDOZHIZAWSWEKX-UHFFFAOYSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1nc[nH]c1C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571222425 953134005 /nfs/dbraw/zinc/13/40/05/953134005.db2.gz FDOZHIZAWSWEKX-UHFFFAOYSA-N -1 3 383.416 0.513 20 0 GCADHM COc1cc(C)nc(N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571222473 953134943 /nfs/dbraw/zinc/13/49/43/953134943.db2.gz GFXXUIYLZGWFGC-XYPYZODXSA-N -1 3 383.416 0.922 20 0 GCADHM COc1cc(C)nc(N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571222473 953134945 /nfs/dbraw/zinc/13/49/45/953134945.db2.gz GFXXUIYLZGWFGC-XYPYZODXSA-N -1 3 383.416 0.922 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222567 953135752 /nfs/dbraw/zinc/13/57/52/953135752.db2.gz HIDXUYOMHWICFI-JOYOIKCWSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222567 953135754 /nfs/dbraw/zinc/13/57/54/953135754.db2.gz HIDXUYOMHWICFI-JOYOIKCWSA-N -1 3 383.416 0.649 20 0 GCADHM COc1nccc(CN2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001571222591 953136899 /nfs/dbraw/zinc/13/68/99/953136899.db2.gz HRCKNRGTGUCUSC-UHFFFAOYSA-N -1 3 383.416 0.342 20 0 GCADHM COc1nccc(CN2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001571222591 953136901 /nfs/dbraw/zinc/13/69/01/953136901.db2.gz HRCKNRGTGUCUSC-UHFFFAOYSA-N -1 3 383.416 0.342 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)c1cncn1C ZINC001571222665 953136968 /nfs/dbraw/zinc/13/69/68/953136968.db2.gz IKLLBADWHBXEAX-GFCCVEGCSA-N -1 3 383.416 0.305 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)c1cncn1C ZINC001571222665 953136970 /nfs/dbraw/zinc/13/69/70/953136970.db2.gz IKLLBADWHBXEAX-GFCCVEGCSA-N -1 3 383.416 0.305 20 0 GCADHM CCn1nccc1C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222728 953137383 /nfs/dbraw/zinc/13/73/83/953137383.db2.gz KGLDNIZTPBYGQT-LBPRGKRZSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1nccc1C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222728 953137386 /nfs/dbraw/zinc/13/73/86/953137386.db2.gz KGLDNIZTPBYGQT-LBPRGKRZSA-N -1 3 383.416 0.446 20 0 GCADHM COc1nc(C)cc(N2CC[C@@](C)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571222737 953137523 /nfs/dbraw/zinc/13/75/23/953137523.db2.gz KQABHEOTRBDSIR-QGZVFWFLSA-N -1 3 383.416 0.701 20 0 GCADHM COc1nc(C)cc(N2CC[C@@](C)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571222737 953137526 /nfs/dbraw/zinc/13/75/26/953137526.db2.gz KQABHEOTRBDSIR-QGZVFWFLSA-N -1 3 383.416 0.701 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571222677 953137766 /nfs/dbraw/zinc/13/77/66/953137766.db2.gz IOPNIFDIFSOSJA-NOZJJQNGSA-N -1 3 383.416 0.371 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571222677 953137767 /nfs/dbraw/zinc/13/77/67/953137767.db2.gz IOPNIFDIFSOSJA-NOZJJQNGSA-N -1 3 383.416 0.371 20 0 GCADHM CCn1nccc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222681 953137962 /nfs/dbraw/zinc/13/79/62/953137962.db2.gz IYQSNVHLBBUGCV-JTQLQIEISA-N -1 3 383.416 0.302 20 0 GCADHM CCn1nccc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222681 953137966 /nfs/dbraw/zinc/13/79/66/953137966.db2.gz IYQSNVHLBBUGCV-JTQLQIEISA-N -1 3 383.416 0.302 20 0 GCADHM COc1nccc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571222794 953138500 /nfs/dbraw/zinc/13/85/00/953138500.db2.gz MLOHZJYAYLOGDC-SNVBAGLBSA-N -1 3 383.416 0.244 20 0 GCADHM COc1nccc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571222794 953138502 /nfs/dbraw/zinc/13/85/02/953138502.db2.gz MLOHZJYAYLOGDC-SNVBAGLBSA-N -1 3 383.416 0.244 20 0 GCADHM COc1c(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)nc3)C2)cnn1C ZINC001571222779 953138510 /nfs/dbraw/zinc/13/85/10/953138510.db2.gz LSOIMKONTJLFBA-KRWDZBQOSA-N -1 3 383.416 0.403 20 0 GCADHM COc1c(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)nc3)C2)cnn1C ZINC001571222779 953138512 /nfs/dbraw/zinc/13/85/12/953138512.db2.gz LSOIMKONTJLFBA-KRWDZBQOSA-N -1 3 383.416 0.403 20 0 GCADHM COc1ccnc(N(C)C[C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571222790 953138968 /nfs/dbraw/zinc/13/89/68/953138968.db2.gz MKDHMDCSUCXKKZ-LBPRGKRZSA-N -1 3 383.416 0.734 20 0 GCADHM COc1ccnc(N(C)C[C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571222790 953138970 /nfs/dbraw/zinc/13/89/70/953138970.db2.gz MKDHMDCSUCXKKZ-LBPRGKRZSA-N -1 3 383.416 0.734 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cnn(C)c1 ZINC001571222886 953139769 /nfs/dbraw/zinc/13/97/69/953139769.db2.gz MTVNOONQBBCIJB-LLVKDONJSA-N -1 3 383.416 0.016 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cnn(C)c1 ZINC001571222886 953139774 /nfs/dbraw/zinc/13/97/74/953139774.db2.gz MTVNOONQBBCIJB-LLVKDONJSA-N -1 3 383.416 0.016 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571222843 953139868 /nfs/dbraw/zinc/13/98/68/953139868.db2.gz NBADTQMCRGTTCB-GXSJLCMTSA-N -1 3 383.416 0.819 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571222843 953139870 /nfs/dbraw/zinc/13/98/70/953139870.db2.gz NBADTQMCRGTTCB-GXSJLCMTSA-N -1 3 383.416 0.819 20 0 GCADHM COc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(C)nn1C ZINC001571222928 953140327 /nfs/dbraw/zinc/14/03/27/953140327.db2.gz NYBYTWQZAZEKAM-GFCCVEGCSA-N -1 3 383.416 0.639 20 0 GCADHM COc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c(C)nn1C ZINC001571222928 953140330 /nfs/dbraw/zinc/14/03/30/953140330.db2.gz NYBYTWQZAZEKAM-GFCCVEGCSA-N -1 3 383.416 0.639 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)c1ncc[nH]1 ZINC001571223029 953140444 /nfs/dbraw/zinc/14/04/44/953140444.db2.gz PKMPSCIQDGNEEK-LBPRGKRZSA-N -1 3 383.416 0.685 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)c1ncc[nH]1 ZINC001571223029 953140445 /nfs/dbraw/zinc/14/04/45/953140445.db2.gz PKMPSCIQDGNEEK-LBPRGKRZSA-N -1 3 383.416 0.685 20 0 GCADHM CCn1ccnc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223032 953140807 /nfs/dbraw/zinc/14/08/07/953140807.db2.gz PLSVAOMBODCLOH-LBPRGKRZSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1ccnc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223032 953140810 /nfs/dbraw/zinc/14/08/10/953140810.db2.gz PLSVAOMBODCLOH-LBPRGKRZSA-N -1 3 383.416 0.446 20 0 GCADHM CCc1nc[nH]c1C(=O)NC1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223244 953142532 /nfs/dbraw/zinc/14/25/32/953142532.db2.gz RLQOJOYGQQFUCV-UHFFFAOYSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1nc[nH]c1C(=O)NC1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223244 953142538 /nfs/dbraw/zinc/14/25/38/953142538.db2.gz RLQOJOYGQQFUCV-UHFFFAOYSA-N -1 3 383.416 0.513 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571223181 953142636 /nfs/dbraw/zinc/14/26/36/953142636.db2.gz PFKITUVJJSPMGS-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223181 953142640 /nfs/dbraw/zinc/14/26/40/953142640.db2.gz PFKITUVJJSPMGS-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(Cc2nc(CC3CC3)no2)C1 ZINC001571223247 953143058 /nfs/dbraw/zinc/14/30/58/953143058.db2.gz RMBPZOQLOGZYPQ-UHFFFAOYSA-N -1 3 383.416 0.487 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(Cc2nc(CC3CC3)no2)C1 ZINC001571223247 953143061 /nfs/dbraw/zinc/14/30/61/953143061.db2.gz RMBPZOQLOGZYPQ-UHFFFAOYSA-N -1 3 383.416 0.487 20 0 GCADHM COc1nn(C)cc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571223557 953145110 /nfs/dbraw/zinc/14/51/10/953145110.db2.gz VGBNVPZQUGKENP-LBPRGKRZSA-N -1 3 383.416 0.403 20 0 GCADHM COc1nn(C)cc1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571223557 953145112 /nfs/dbraw/zinc/14/51/12/953145112.db2.gz VGBNVPZQUGKENP-LBPRGKRZSA-N -1 3 383.416 0.403 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001571223612 953145989 /nfs/dbraw/zinc/14/59/89/953145989.db2.gz XIKHIUFIVIFVKY-MFKMUULPSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001571223612 953145995 /nfs/dbraw/zinc/14/59/95/953145995.db2.gz XIKHIUFIVIFVKY-MFKMUULPSA-N -1 3 383.416 0.589 20 0 GCADHM COc1c(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571223594 953146481 /nfs/dbraw/zinc/14/64/81/953146481.db2.gz WTHKLQLXEROXHR-NSHDSACASA-N -1 3 383.416 0.260 20 0 GCADHM COc1c(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571223594 953146482 /nfs/dbraw/zinc/14/64/82/953146482.db2.gz WTHKLQLXEROXHR-NSHDSACASA-N -1 3 383.416 0.260 20 0 GCADHM CCc1n[nH]cc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571223727 953146531 /nfs/dbraw/zinc/14/65/31/953146531.db2.gz UCFWLKDOKHQVHC-LBPRGKRZSA-N -1 3 383.416 0.182 20 0 GCADHM CCc1n[nH]cc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571223727 953146533 /nfs/dbraw/zinc/14/65/33/953146533.db2.gz UCFWLKDOKHQVHC-LBPRGKRZSA-N -1 3 383.416 0.182 20 0 GCADHM COc1c(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571223593 953146548 /nfs/dbraw/zinc/14/65/48/953146548.db2.gz WTHKLQLXEROXHR-LLVKDONJSA-N -1 3 383.416 0.260 20 0 GCADHM COc1c(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571223593 953146550 /nfs/dbraw/zinc/14/65/50/953146550.db2.gz WTHKLQLXEROXHR-LLVKDONJSA-N -1 3 383.416 0.260 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001571223810 953146747 /nfs/dbraw/zinc/14/67/47/953146747.db2.gz VSPDGEWJSSTIRE-SMDDNHRTSA-N -1 3 383.416 0.255 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2COC(=O)C2)n1 ZINC001571223790 953147273 /nfs/dbraw/zinc/14/72/73/953147273.db2.gz VNOABVQPUQAQGT-CNXAATOLSA-N -1 3 383.412 0.074 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2COC(=O)C2)n1 ZINC001571223790 953147275 /nfs/dbraw/zinc/14/72/75/953147275.db2.gz VNOABVQPUQAQGT-CNXAATOLSA-N -1 3 383.412 0.074 20 0 GCADHM Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1C ZINC001571223894 953147543 /nfs/dbraw/zinc/14/75/43/953147543.db2.gz ZKVXBFQEKYINRX-LBPRGKRZSA-N -1 3 383.416 0.569 20 0 GCADHM Cc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1C ZINC001571223894 953147546 /nfs/dbraw/zinc/14/75/46/953147546.db2.gz ZKVXBFQEKYINRX-LBPRGKRZSA-N -1 3 383.416 0.569 20 0 GCADHM CCn1cnc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)c1 ZINC001571223895 953147752 /nfs/dbraw/zinc/14/77/52/953147752.db2.gz ZLKROJBQDITWKO-ZWNOBZJWSA-N -1 3 383.416 0.302 20 0 GCADHM CCn1cnc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)c1 ZINC001571223895 953147755 /nfs/dbraw/zinc/14/77/55/953147755.db2.gz ZLKROJBQDITWKO-ZWNOBZJWSA-N -1 3 383.416 0.302 20 0 GCADHM CCc1nnc(CN2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)o1 ZINC001571223901 953147984 /nfs/dbraw/zinc/14/79/84/953147984.db2.gz ZRYIEILTCCFRRA-CNDDSTCGSA-N -1 3 383.416 0.248 20 0 GCADHM CCc1nnc(CN2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)o1 ZINC001571223901 953147986 /nfs/dbraw/zinc/14/79/86/953147986.db2.gz ZRYIEILTCCFRRA-CNDDSTCGSA-N -1 3 383.416 0.248 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571223963 953148238 /nfs/dbraw/zinc/14/82/38/953148238.db2.gz WFFQFPCVOOXHJN-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571223963 953148242 /nfs/dbraw/zinc/14/82/42/953148242.db2.gz WFFQFPCVOOXHJN-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)cn1 ZINC001571224013 953148494 /nfs/dbraw/zinc/14/84/94/953148494.db2.gz WZLRBDGAZWKMJQ-ZIAGYGMSSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)cn1 ZINC001571224013 953148496 /nfs/dbraw/zinc/14/84/96/953148496.db2.gz WZLRBDGAZWKMJQ-ZIAGYGMSSA-N -1 3 383.416 0.019 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001571223974 953148630 /nfs/dbraw/zinc/14/86/30/953148630.db2.gz WNFVNNYNGOGCOL-GHMZBOCLSA-N -1 3 383.416 0.806 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001571223974 953148632 /nfs/dbraw/zinc/14/86/32/953148632.db2.gz WNFVNNYNGOGCOL-GHMZBOCLSA-N -1 3 383.416 0.806 20 0 GCADHM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571224128 953149529 /nfs/dbraw/zinc/14/95/29/953149529.db2.gz YVKRUMCTRGTBDO-CMPLNLGQSA-N -1 3 383.416 0.664 20 0 GCADHM Cc1cc(C(=O)NC2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)[nH]n1 ZINC001571224725 953150356 /nfs/dbraw/zinc/15/03/56/953150356.db2.gz FAPWCSFLBYVENP-UHFFFAOYSA-N -1 3 383.416 0.697 20 0 GCADHM Cc1nonc1CC(=O)N(C)[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571224720 953150871 /nfs/dbraw/zinc/15/08/71/953150871.db2.gz DZGTUGXSSBXINS-LBPRGKRZSA-N -1 3 383.416 0.541 20 0 GCADHM Cc1nonc1CC(=O)N(C)[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571224720 953150872 /nfs/dbraw/zinc/15/08/72/953150872.db2.gz DZGTUGXSSBXINS-LBPRGKRZSA-N -1 3 383.416 0.541 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCO[C@@H](CNc3nc(C)ccc3-c3nnn[n-]3)C2)n1 ZINC001571224764 953151211 /nfs/dbraw/zinc/15/12/11/953151211.db2.gz FPPFECVRZLINOT-LBPRGKRZSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCO[C@@H](CNc3nc(C)ccc3-c3nn[n-]n3)C2)n1 ZINC001571224764 953151214 /nfs/dbraw/zinc/15/12/14/953151214.db2.gz FPPFECVRZLINOT-LBPRGKRZSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[nH]n1 ZINC001571224914 953151466 /nfs/dbraw/zinc/15/14/66/953151466.db2.gz GLMHKXZUOAMBDM-VXGBXAGGSA-N -1 3 383.416 0.697 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]n1 ZINC001571224914 953151468 /nfs/dbraw/zinc/15/14/68/953151468.db2.gz GLMHKXZUOAMBDM-VXGBXAGGSA-N -1 3 383.416 0.697 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571225225 953152151 /nfs/dbraw/zinc/15/21/51/953152151.db2.gz IRNDVOODBKCTPI-MFKMUULPSA-N -1 3 383.416 0.702 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571225225 953152153 /nfs/dbraw/zinc/15/21/53/953152153.db2.gz IRNDVOODBKCTPI-MFKMUULPSA-N -1 3 383.416 0.702 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)o1 ZINC001571225351 953152900 /nfs/dbraw/zinc/15/29/00/953152900.db2.gz JVQPDIPRGFSSTB-RNCFNFMXSA-N -1 3 383.416 0.763 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)o1 ZINC001571225351 953152902 /nfs/dbraw/zinc/15/29/02/953152902.db2.gz JVQPDIPRGFSSTB-RNCFNFMXSA-N -1 3 383.416 0.763 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571225948 953154460 /nfs/dbraw/zinc/15/44/60/953154460.db2.gz PBAGCOGBLMHURO-GFCCVEGCSA-N -1 3 383.416 0.521 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571225948 953154461 /nfs/dbraw/zinc/15/44/61/953154461.db2.gz PBAGCOGBLMHURO-GFCCVEGCSA-N -1 3 383.416 0.521 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571225939 953154630 /nfs/dbraw/zinc/15/46/30/953154630.db2.gz OPVWEDLYXYMVLY-WDEREUQCSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571225939 953154631 /nfs/dbraw/zinc/15/46/31/953154631.db2.gz OPVWEDLYXYMVLY-WDEREUQCSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)[C@H]2CN(C(=O)c3cn[nH]c3)CCO2)n1 ZINC001571225956 953155235 /nfs/dbraw/zinc/15/52/35/953155235.db2.gz PBPADDIPVCQIDN-BXUZGUMPSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)[C@H]2CN(C(=O)c3cn[nH]c3)CCO2)n1 ZINC001571225956 953155238 /nfs/dbraw/zinc/15/52/38/953155238.db2.gz PBPADDIPVCQIDN-BXUZGUMPSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571226447 953155942 /nfs/dbraw/zinc/15/59/42/953155942.db2.gz QWICPEYBHZDBLS-ZYHUDNBSSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571226447 953155945 /nfs/dbraw/zinc/15/59/45/953155945.db2.gz QWICPEYBHZDBLS-ZYHUDNBSSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1cncn1CC(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571226616 953156083 /nfs/dbraw/zinc/15/60/83/953156083.db2.gz SRJFDMFSNVVNCH-UHFFFAOYSA-N -1 3 383.416 0.121 20 0 GCADHM Cc1ncn(C)c1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571226467 953156352 /nfs/dbraw/zinc/15/63/52/953156352.db2.gz RKBHNTKSQJQXQM-XYPYZODXSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1ncn(C)c1C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571226467 953156355 /nfs/dbraw/zinc/15/63/55/953156355.db2.gz RKBHNTKSQJQXQM-XYPYZODXSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1ccnc(N[C@]2(CO)CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571226965 953157506 /nfs/dbraw/zinc/15/75/06/953157506.db2.gz XYILUQAHBHEYKR-QGZVFWFLSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1ccnc(N[C@]2(CO)CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571226965 953157509 /nfs/dbraw/zinc/15/75/09/953157509.db2.gz XYILUQAHBHEYKR-QGZVFWFLSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571226950 953157603 /nfs/dbraw/zinc/15/76/03/953157603.db2.gz XSLZFEOVQOUMEG-GFCCVEGCSA-N -1 3 383.416 0.846 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571226950 953157605 /nfs/dbraw/zinc/15/76/05/953157605.db2.gz XSLZFEOVQOUMEG-GFCCVEGCSA-N -1 3 383.416 0.846 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571226959 953157640 /nfs/dbraw/zinc/15/76/40/953157640.db2.gz XUTDTCWZUMKGNU-BXKDBHETSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571226959 953157641 /nfs/dbraw/zinc/15/76/41/953157641.db2.gz XUTDTCWZUMKGNU-BXKDBHETSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571226962 953157828 /nfs/dbraw/zinc/15/78/28/953157828.db2.gz XUTDTCWZUMKGNU-SKDRFNHKSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571226962 953157829 /nfs/dbraw/zinc/15/78/29/953157829.db2.gz XUTDTCWZUMKGNU-SKDRFNHKSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571226954 953157843 /nfs/dbraw/zinc/15/78/43/953157843.db2.gz XUDHBJATOCEVBR-IINYFYTJSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571226954 953157844 /nfs/dbraw/zinc/15/78/44/953157844.db2.gz XUDHBJATOCEVBR-IINYFYTJSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nc(C)c(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571227126 953158349 /nfs/dbraw/zinc/15/83/49/953158349.db2.gz ZGYBYWXSUJXESZ-ZDUSSCGKSA-N -1 3 383.416 0.555 20 0 GCADHM Cn1ccc(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571227706 953158893 /nfs/dbraw/zinc/15/88/93/953158893.db2.gz AIVZHWPDQSTARS-NEPJUHHUSA-N -1 3 383.416 0.399 20 0 GCADHM Cn1ccc(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571227706 953158895 /nfs/dbraw/zinc/15/88/95/953158895.db2.gz AIVZHWPDQSTARS-NEPJUHHUSA-N -1 3 383.416 0.399 20 0 GCADHM O=C(NC[C@H]1CCCCCN1C(=O)c1ncc[nH]1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571227815 953159607 /nfs/dbraw/zinc/15/96/07/953159607.db2.gz CNKHZJNVHRKAJX-LLVKDONJSA-N -1 3 383.416 0.733 20 0 GCADHM O=C(NC[C@H]1CCCCCN1C(=O)c1ncc[nH]1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571227815 953159610 /nfs/dbraw/zinc/15/96/10/953159610.db2.gz CNKHZJNVHRKAJX-LLVKDONJSA-N -1 3 383.416 0.733 20 0 GCADHM O=C(NC[C@H]1C[C@H](NCc2noc(C3CC3)n2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571227780 953160022 /nfs/dbraw/zinc/16/00/22/953160022.db2.gz BWDOBTBRNAWLRW-OTCDBFHCSA-N -1 3 383.416 0.753 20 0 GCADHM O=C(NC[C@H]1C[C@H](NCc2noc(C3CC3)n2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571227780 953160024 /nfs/dbraw/zinc/16/00/24/953160024.db2.gz BWDOBTBRNAWLRW-OTCDBFHCSA-N -1 3 383.416 0.753 20 0 GCADHM Cn1c(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)c[nH]c1=O ZINC001571227964 953160471 /nfs/dbraw/zinc/16/04/71/953160471.db2.gz FIIQDZVLIWPXDX-ZYHUDNBSSA-N -1 3 383.416 0.711 20 0 GCADHM Cn1c(C(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)c[nH]c1=O ZINC001571227964 953160475 /nfs/dbraw/zinc/16/04/75/953160475.db2.gz FIIQDZVLIWPXDX-ZYHUDNBSSA-N -1 3 383.416 0.711 20 0 GCADHM O=C(N[C@H]1CCN(Cc2nc(C3CCC3)no2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571227876 953160890 /nfs/dbraw/zinc/16/08/90/953160890.db2.gz DURLTAWGHGWASZ-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(N[C@H]1CCN(Cc2nc(C3CCC3)no2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571227876 953160893 /nfs/dbraw/zinc/16/08/93/953160893.db2.gz DURLTAWGHGWASZ-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[nH]c1=O ZINC001571228035 953161623 /nfs/dbraw/zinc/16/16/23/953161623.db2.gz GSSLJXYYRKIMGY-GFCCVEGCSA-N -1 3 383.416 0.490 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@@H]1CNCc1nc(C2CC2)no1 ZINC001571228043 953161647 /nfs/dbraw/zinc/16/16/47/953161647.db2.gz GVGMHFSGZSPTRL-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@@H]1CNCc1nc(C2CC2)no1 ZINC001571228043 953161651 /nfs/dbraw/zinc/16/16/51/953161651.db2.gz GVGMHFSGZSPTRL-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001571228144 953162261 /nfs/dbraw/zinc/16/22/61/953162261.db2.gz JFOIKPSEHQBWFK-GHMZBOCLSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001571228144 953162262 /nfs/dbraw/zinc/16/22/62/953162262.db2.gz JFOIKPSEHQBWFK-GHMZBOCLSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H](N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1nnnn1C1CC1 ZINC001571228512 953164266 /nfs/dbraw/zinc/16/42/66/953164266.db2.gz QFPBVYPIMNGTLK-KOLCDFICSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@@H](N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1nnnn1C1CC1 ZINC001571228512 953164268 /nfs/dbraw/zinc/16/42/68/953164268.db2.gz QFPBVYPIMNGTLK-KOLCDFICSA-N -1 3 383.420 0.082 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571228472 953164548 /nfs/dbraw/zinc/16/45/48/953164548.db2.gz PISUGQVTQUIFBV-KRWDZBQOSA-N -1 3 383.416 0.074 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571228472 953164549 /nfs/dbraw/zinc/16/45/49/953164549.db2.gz PISUGQVTQUIFBV-KRWDZBQOSA-N -1 3 383.416 0.074 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571228455 953164669 /nfs/dbraw/zinc/16/46/69/953164669.db2.gz PFBWPAJLIZXQPU-LLVKDONJSA-N -1 3 383.416 0.211 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571228455 953164671 /nfs/dbraw/zinc/16/46/71/953164671.db2.gz PFBWPAJLIZXQPU-LLVKDONJSA-N -1 3 383.416 0.211 20 0 GCADHM O=C(Cn1ccnc1)N[C@H]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571228501 953164725 /nfs/dbraw/zinc/16/47/25/953164725.db2.gz PUHACPABSHUORD-STQMWFEESA-N -1 3 383.416 0.249 20 0 GCADHM O=C(NC[C@@H]1CCCN1Cc1nc(C2CC2)no1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571228536 953165190 /nfs/dbraw/zinc/16/51/90/953165190.db2.gz QWRZGDNATDLUDU-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(NC[C@@H]1CCCN1Cc1nc(C2CC2)no1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571228536 953165192 /nfs/dbraw/zinc/16/51/92/953165192.db2.gz QWRZGDNATDLUDU-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(CCn1ccnc1)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228561 953165356 /nfs/dbraw/zinc/16/53/56/953165356.db2.gz RRSUXVBNSRHFTR-GFCCVEGCSA-N -1 3 383.416 0.202 20 0 GCADHM O=C(CCn1ccnc1)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228561 953165357 /nfs/dbraw/zinc/16/53/57/953165357.db2.gz RRSUXVBNSRHFTR-GFCCVEGCSA-N -1 3 383.416 0.202 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)n(C)c1=O ZINC001571228600 953165447 /nfs/dbraw/zinc/16/54/47/953165447.db2.gz TYIJFHIRGGXUEW-NSHDSACASA-N -1 3 383.416 0.016 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)n(C)c1=O ZINC001571228600 953165449 /nfs/dbraw/zinc/16/54/49/953165449.db2.gz TYIJFHIRGGXUEW-NSHDSACASA-N -1 3 383.416 0.016 20 0 GCADHM Cn1nccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228541 953165486 /nfs/dbraw/zinc/16/54/86/953165486.db2.gz RDFBPRQRZDSHOT-WDEREUQCSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1nccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228541 953165488 /nfs/dbraw/zinc/16/54/88/953165488.db2.gz RDFBPRQRZDSHOT-WDEREUQCSA-N -1 3 383.416 0.257 20 0 GCADHM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001571228618 953165831 /nfs/dbraw/zinc/16/58/31/953165831.db2.gz UFUZUKDSLBODOZ-MNOVXSKESA-N -1 3 383.420 0.057 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2ncc[nH]2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571228656 953165992 /nfs/dbraw/zinc/16/59/92/953165992.db2.gz UWMSRHXZNYDYCD-LBPRGKRZSA-N -1 3 383.416 0.733 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2ncc[nH]2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571228656 953165995 /nfs/dbraw/zinc/16/59/95/953165995.db2.gz UWMSRHXZNYDYCD-LBPRGKRZSA-N -1 3 383.416 0.733 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001571228788 953166202 /nfs/dbraw/zinc/16/62/02/953166202.db2.gz VOEQDHJLYQUCLC-AAEUAGOBSA-N -1 3 383.420 0.130 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001571228788 953166206 /nfs/dbraw/zinc/16/62/06/953166206.db2.gz VOEQDHJLYQUCLC-AAEUAGOBSA-N -1 3 383.420 0.130 20 0 GCADHM O=C(NC1CC(CNCc2nnc(C3CC3)o2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571228850 953166546 /nfs/dbraw/zinc/16/65/46/953166546.db2.gz WPEISHKHLRHYIV-UHFFFAOYSA-N -1 3 383.416 0.753 20 0 GCADHM O=C(NC1CC(CNCc2nnc(C3CC3)o2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571228850 953166548 /nfs/dbraw/zinc/16/65/48/953166548.db2.gz WPEISHKHLRHYIV-UHFFFAOYSA-N -1 3 383.416 0.753 20 0 GCADHM O=C(NC[C@H]1CCCN1Cc1nc(C2CC2)no1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571228839 953167014 /nfs/dbraw/zinc/16/70/14/953167014.db2.gz WIZDYWYUPIUOPR-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(NC[C@H]1CCCN1Cc1nc(C2CC2)no1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571228839 953167015 /nfs/dbraw/zinc/16/70/15/953167015.db2.gz WIZDYWYUPIUOPR-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571229069 953167776 /nfs/dbraw/zinc/16/77/76/953167776.db2.gz ZGIFMNHRJSOLRY-MNOVXSKESA-N -1 3 383.420 0.057 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571228994 953167819 /nfs/dbraw/zinc/16/78/19/953167819.db2.gz XXSMDGPPXXIVOP-QGZVFWFLSA-N -1 3 383.416 0.074 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571228994 953167821 /nfs/dbraw/zinc/16/78/21/953167821.db2.gz XXSMDGPPXXIVOP-QGZVFWFLSA-N -1 3 383.416 0.074 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571228872 953167836 /nfs/dbraw/zinc/16/78/36/953167836.db2.gz XAEYKZUPHOMLRV-ZWNOBZJWSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571228872 953167838 /nfs/dbraw/zinc/16/78/38/953167838.db2.gz XAEYKZUPHOMLRV-ZWNOBZJWSA-N -1 3 383.416 0.257 20 0 GCADHM Cc1nonc1CN1CC[C@@]2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCC[C@H]12 ZINC001571229065 953167904 /nfs/dbraw/zinc/16/79/04/953167904.db2.gz ZERAWLINUIBCDG-YOEHRIQHSA-N -1 3 383.416 0.813 20 0 GCADHM Cc1nonc1CN1CC[C@@]2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC[C@H]12 ZINC001571229065 953167905 /nfs/dbraw/zinc/16/79/05/953167905.db2.gz ZERAWLINUIBCDG-YOEHRIQHSA-N -1 3 383.416 0.813 20 0 GCADHM Cn1c(C(=O)N[C@@H]2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)c[nH]c1=O ZINC001571229007 953168037 /nfs/dbraw/zinc/16/80/37/953168037.db2.gz YDDYFXLZSPKRRF-ZYHUDNBSSA-N -1 3 383.416 0.711 20 0 GCADHM Cn1c(C(=O)N[C@@H]2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)c[nH]c1=O ZINC001571229007 953168039 /nfs/dbraw/zinc/16/80/39/953168039.db2.gz YDDYFXLZSPKRRF-ZYHUDNBSSA-N -1 3 383.416 0.711 20 0 GCADHM O=C(CCn1cnnn1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571229175 953168773 /nfs/dbraw/zinc/16/87/73/953168773.db2.gz AIGGGGBNAXITOD-ZDUSSCGKSA-N -1 3 383.420 0.132 20 0 GCADHM O=C(CCn1cnnn1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571229175 953168775 /nfs/dbraw/zinc/16/87/75/953168775.db2.gz AIGGGGBNAXITOD-ZDUSSCGKSA-N -1 3 383.420 0.132 20 0 GCADHM O=C(Cn1ncnn1)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571229725 953171284 /nfs/dbraw/zinc/17/12/84/953171284.db2.gz LDCCRGVCUHLBMB-ZDUSSCGKSA-N -1 3 383.420 0.132 20 0 GCADHM O=C(Cn1ncnn1)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571229725 953171286 /nfs/dbraw/zinc/17/12/86/953171286.db2.gz LDCCRGVCUHLBMB-ZDUSSCGKSA-N -1 3 383.420 0.132 20 0 GCADHM Cc1n[nH]nc1C(=O)N(C)C1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571229774 953172408 /nfs/dbraw/zinc/17/24/08/953172408.db2.gz MTOSBEOVUHXWIW-UHFFFAOYSA-N -1 3 383.420 0.579 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)CC2)[nH]1 ZINC001571230013 953173022 /nfs/dbraw/zinc/17/30/22/953173022.db2.gz QUJOHMPFYUURCP-XYPYZODXSA-N -1 3 383.420 0.165 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)Cn2ncnn2)ccc1-c1nnn[n-]1 ZINC001571230147 953174683 /nfs/dbraw/zinc/17/46/83/953174683.db2.gz SLSSMBWIEKXGFO-GFCCVEGCSA-N -1 3 383.420 0.050 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)Cn2ncnn2)ccc1-c1nn[n-]n1 ZINC001571230147 953174684 /nfs/dbraw/zinc/17/46/84/953174684.db2.gz SLSSMBWIEKXGFO-GFCCVEGCSA-N -1 3 383.420 0.050 20 0 GCADHM Cn1nnc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001571230350 953176277 /nfs/dbraw/zinc/17/62/77/953176277.db2.gz WBBCGWDWKMKUMY-XYPYZODXSA-N -1 3 383.420 0.186 20 0 GCADHM Cn1nnc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001571230350 953176280 /nfs/dbraw/zinc/17/62/80/953176280.db2.gz WBBCGWDWKMKUMY-XYPYZODXSA-N -1 3 383.420 0.186 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571230630 953178741 /nfs/dbraw/zinc/17/87/41/953178741.db2.gz YZFLRHQLEGZHGS-NSHDSACASA-N -1 3 383.420 0.181 20 0 GCADHM C[C@@H]1COCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571230973 953181849 /nfs/dbraw/zinc/18/18/49/953181849.db2.gz OPOFDXOHZXTCLM-HGTKMLMNSA-N -1 3 383.456 0.829 20 0 GCADHM C[C@@H]1COCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571230973 953181853 /nfs/dbraw/zinc/18/18/53/953181853.db2.gz OPOFDXOHZXTCLM-HGTKMLMNSA-N -1 3 383.456 0.829 20 0 GCADHM O=C(c1csnn1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571230949 953181934 /nfs/dbraw/zinc/18/19/34/953181934.db2.gz NZNRYELJDPGUIT-AAEUAGOBSA-N -1 3 383.441 0.854 20 0 GCADHM O=C(c1csnn1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571230949 953181938 /nfs/dbraw/zinc/18/19/38/953181938.db2.gz NZNRYELJDPGUIT-AAEUAGOBSA-N -1 3 383.441 0.854 20 0 GCADHM C[C@H]1C[C@H](C(=O)N2C[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]3C2)CCO1 ZINC001571231088 953182920 /nfs/dbraw/zinc/18/29/20/953182920.db2.gz RYJBPMSYYMQALS-LJISPDSOSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@H]1C[C@H](C(=O)N2C[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]3C2)CCO1 ZINC001571231088 953182922 /nfs/dbraw/zinc/18/29/22/953182922.db2.gz RYJBPMSYYMQALS-LJISPDSOSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@]1(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)CCC(=O)NC1 ZINC001571231261 953184084 /nfs/dbraw/zinc/18/40/84/953184084.db2.gz WEBOTSRMOFSLCU-LJQANCHMSA-N -1 3 383.456 0.427 20 0 GCADHM C[C@@]1(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCC(=O)NC1 ZINC001571231261 953184086 /nfs/dbraw/zinc/18/40/86/953184086.db2.gz WEBOTSRMOFSLCU-LJQANCHMSA-N -1 3 383.456 0.427 20 0 GCADHM O=C(C1CCC(O)CC1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571232498 953187687 /nfs/dbraw/zinc/18/76/87/953187687.db2.gz GWLAKSQTRJIUMO-MHXRYWECSA-N -1 3 383.456 0.707 20 0 GCADHM O=C(C1CCC(O)CC1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571232498 953187692 /nfs/dbraw/zinc/18/76/92/953187692.db2.gz GWLAKSQTRJIUMO-MHXRYWECSA-N -1 3 383.456 0.707 20 0 GCADHM O=C([C@H]1CCCOC1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571232496 953187921 /nfs/dbraw/zinc/18/79/21/953187921.db2.gz GUQLGUOJPHTALH-ILXRZTDVSA-N -1 3 383.456 0.973 20 0 GCADHM O=C([C@H]1CCCOC1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571232496 953187922 /nfs/dbraw/zinc/18/79/22/953187922.db2.gz GUQLGUOJPHTALH-ILXRZTDVSA-N -1 3 383.456 0.973 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC2CCOCC2)n1 ZINC001571233290 953191784 /nfs/dbraw/zinc/19/17/84/953191784.db2.gz RCAVXENHTLLIPM-QLPKVWCKSA-N -1 3 383.456 0.938 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC2CCOCC2)n1 ZINC001571233290 953191786 /nfs/dbraw/zinc/19/17/86/953191786.db2.gz RCAVXENHTLLIPM-QLPKVWCKSA-N -1 3 383.456 0.938 20 0 GCADHM Cn1ccnc1CN1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001571233789 953195728 /nfs/dbraw/zinc/19/57/28/953195728.db2.gz DDNMNQKIYMKEPV-CQSZACIVSA-N -1 3 383.460 0.959 20 0 GCADHM Cn1ccnc1CN1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001571233789 953195729 /nfs/dbraw/zinc/19/57/29/953195729.db2.gz DDNMNQKIYMKEPV-CQSZACIVSA-N -1 3 383.460 0.959 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571233885 953196688 /nfs/dbraw/zinc/19/66/88/953196688.db2.gz HACHLXQGGMBTKL-VNHYZAJKSA-N -1 3 383.460 0.321 20 0 GCADHM O=C(CN1CCCC1)N[C@@H]1CC12CCN(c1ccnc(-c3nnn[n-]3)n1)CC2 ZINC001571234443 953201981 /nfs/dbraw/zinc/20/19/81/953201981.db2.gz XULOEKQCVKYKGO-CYBMUJFWSA-N -1 3 383.460 0.228 20 0 GCADHM NC(=O)C12CCC(CC1)N2S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001571234619 953203724 /nfs/dbraw/zinc/20/37/24/953203724.db2.gz DGMICZZUZBIHLH-UHFFFAOYSA-N -1 3 384.368 0.316 20 0 GCADHM NC(=O)C12CCC(CC1)N2S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001571234619 953203725 /nfs/dbraw/zinc/20/37/25/953203725.db2.gz DGMICZZUZBIHLH-UHFFFAOYSA-N -1 3 384.368 0.316 20 0 GCADHM COC(=O)c1ccc(NCc2nc3c(c(=O)[nH]2)COCC3)c(-c2nnn[n-]2)n1 ZINC001571234576 953203877 /nfs/dbraw/zinc/20/38/77/953203877.db2.gz CGMFSRBABKFKGP-UHFFFAOYSA-N -1 3 384.356 0.229 20 0 GCADHM CN(C(=O)c1ccncc1F)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571234752 953205659 /nfs/dbraw/zinc/20/56/59/953205659.db2.gz HWVADEYGFMLNLD-UHFFFAOYSA-N -1 3 384.375 0.762 20 0 GCADHM CN(C(=O)c1ccncc1F)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571234752 953205662 /nfs/dbraw/zinc/20/56/62/953205662.db2.gz HWVADEYGFMLNLD-UHFFFAOYSA-N -1 3 384.375 0.762 20 0 GCADHM Cn1cc([C@@H](O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)cn1 ZINC001571234831 953206347 /nfs/dbraw/zinc/20/63/47/953206347.db2.gz JYVAVFATECLAKX-JTQLQIEISA-N -1 3 383.821 0.266 20 0 GCADHM Cn1cc([C@@H](O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)cn1 ZINC001571234831 953206349 /nfs/dbraw/zinc/20/63/49/953206349.db2.gz JYVAVFATECLAKX-JTQLQIEISA-N -1 3 383.821 0.266 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571234977 953207844 /nfs/dbraw/zinc/20/78/44/953207844.db2.gz ONNXZLKITKAFHT-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571234977 953207846 /nfs/dbraw/zinc/20/78/46/953207846.db2.gz ONNXZLKITKAFHT-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM CN(C[C@H]1CCN1C(=O)c1ncccc1F)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571235278 953210204 /nfs/dbraw/zinc/21/02/04/953210204.db2.gz YWVNBVXRVQIBOW-LLVKDONJSA-N -1 3 384.375 0.716 20 0 GCADHM CN(C[C@H]1CCN1C(=O)c1ncccc1F)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571235278 953210208 /nfs/dbraw/zinc/21/02/08/953210208.db2.gz YWVNBVXRVQIBOW-LLVKDONJSA-N -1 3 384.375 0.716 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1NC(=O)c1ccncc1F ZINC001571235325 953211461 /nfs/dbraw/zinc/21/14/61/953211461.db2.gz ZYPYGFNTGVCJCS-YMTOWFKASA-N -1 3 384.375 0.619 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1NC(=O)c1ccncc1F ZINC001571235325 953211462 /nfs/dbraw/zinc/21/14/62/953211462.db2.gz ZYPYGFNTGVCJCS-YMTOWFKASA-N -1 3 384.375 0.619 20 0 GCADHM CCO[C@@H]1CN(C(=O)c2cocn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571235423 953212152 /nfs/dbraw/zinc/21/21/52/953212152.db2.gz DMKUCWBKJIVPJT-TZMCWYRMSA-N -1 3 384.400 0.839 20 0 GCADHM CCO[C@@H]1CN(C(=O)c2cocn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571235423 953212153 /nfs/dbraw/zinc/21/21/53/953212153.db2.gz DMKUCWBKJIVPJT-TZMCWYRMSA-N -1 3 384.400 0.839 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)c1cc[nH]c(=O)c1 ZINC001571235509 953212856 /nfs/dbraw/zinc/21/28/56/953212856.db2.gz GVKHXGLVAXSDNE-GFCCVEGCSA-N -1 3 384.375 0.900 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1cc[nH]c(=O)c1 ZINC001571235509 953212857 /nfs/dbraw/zinc/21/28/57/953212857.db2.gz GVKHXGLVAXSDNE-GFCCVEGCSA-N -1 3 384.375 0.900 20 0 GCADHM CCc1nocc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235501 953213071 /nfs/dbraw/zinc/21/30/71/953213071.db2.gz GTYCFAWSRPXOFL-JGZJWPJOSA-N -1 3 384.400 0.684 20 0 GCADHM CCc1nocc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235501 953213072 /nfs/dbraw/zinc/21/30/72/953213072.db2.gz GTYCFAWSRPXOFL-JGZJWPJOSA-N -1 3 384.400 0.684 20 0 GCADHM O=C(NC[C@H]1COCCN1c1cccc(F)c1-c1nnn[n-]1)c1cccnn1 ZINC001571235521 953213127 /nfs/dbraw/zinc/21/31/27/953213127.db2.gz HFJOPCVQUCYFFU-NSHDSACASA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@H]1COCCN1c1cccc(F)c1-c1nn[n-]n1)c1cccnn1 ZINC001571235521 953213129 /nfs/dbraw/zinc/21/31/29/953213129.db2.gz HFJOPCVQUCYFFU-NSHDSACASA-N -1 3 384.375 0.431 20 0 GCADHM CCc1nc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)co1 ZINC001571235474 953213188 /nfs/dbraw/zinc/21/31/88/953213188.db2.gz GDDPRGAFHHXPML-LBPRGKRZSA-N -1 3 384.400 0.447 20 0 GCADHM CCc1nc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)co1 ZINC001571235474 953213189 /nfs/dbraw/zinc/21/31/89/953213189.db2.gz GDDPRGAFHHXPML-LBPRGKRZSA-N -1 3 384.400 0.447 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235583 953213410 /nfs/dbraw/zinc/21/34/10/953213410.db2.gz JOSFMHSDSHUKFN-SNVBAGLBSA-N -1 3 384.400 0.637 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235583 953213414 /nfs/dbraw/zinc/21/34/14/953213414.db2.gz JOSFMHSDSHUKFN-SNVBAGLBSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1-c1nnn[n-]1 ZINC001571235561 953213441 /nfs/dbraw/zinc/21/34/41/953213441.db2.gz IKXICTUNVXSGJV-UWVGGRQHSA-N -1 3 384.375 0.846 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1-c1nn[n-]n1 ZINC001571235561 953213445 /nfs/dbraw/zinc/21/34/45/953213445.db2.gz IKXICTUNVXSGJV-UWVGGRQHSA-N -1 3 384.375 0.846 20 0 GCADHM CCc1ocnc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235662 953214084 /nfs/dbraw/zinc/21/40/84/953214084.db2.gz MJNNGYDHZKXGCF-MWLCHTKSSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ocnc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235662 953214086 /nfs/dbraw/zinc/21/40/86/953214086.db2.gz MJNNGYDHZKXGCF-MWLCHTKSSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1nc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)o1 ZINC001571235625 953214482 /nfs/dbraw/zinc/21/44/82/953214482.db2.gz LEOQATCSIFRWOQ-LLVKDONJSA-N -1 3 384.400 0.698 20 0 GCADHM CCc1nc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)o1 ZINC001571235625 953214484 /nfs/dbraw/zinc/21/44/84/953214484.db2.gz LEOQATCSIFRWOQ-LLVKDONJSA-N -1 3 384.400 0.698 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571235674 953214589 /nfs/dbraw/zinc/21/45/89/953214589.db2.gz NAOSLQOADPCTSS-LLVKDONJSA-N -1 3 384.400 0.732 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571235674 953214592 /nfs/dbraw/zinc/21/45/92/953214592.db2.gz NAOSLQOADPCTSS-LLVKDONJSA-N -1 3 384.400 0.732 20 0 GCADHM CCc1ncoc1C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235716 953214842 /nfs/dbraw/zinc/21/48/42/953214842.db2.gz OLBFEQLXCDKBNW-VHSXEESVSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ncoc1C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235716 953214843 /nfs/dbraw/zinc/21/48/43/953214843.db2.gz OLBFEQLXCDKBNW-VHSXEESVSA-N -1 3 384.400 0.778 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)Cc1cc(C)on1 ZINC001571235745 953214914 /nfs/dbraw/zinc/21/49/14/953214914.db2.gz PHKYUUNBZBDXFZ-ZIAGYGMSSA-N -1 3 384.400 0.121 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)Cc1cc(C)on1 ZINC001571235745 953214918 /nfs/dbraw/zinc/21/49/18/953214918.db2.gz PHKYUUNBZBDXFZ-ZIAGYGMSSA-N -1 3 384.400 0.121 20 0 GCADHM CCc1ncoc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235706 953215055 /nfs/dbraw/zinc/21/50/55/953215055.db2.gz ODHUTOAORCOFJU-VIFPVBQESA-N -1 3 384.400 0.636 20 0 GCADHM CCc1ncoc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235706 953215057 /nfs/dbraw/zinc/21/50/57/953215057.db2.gz ODHUTOAORCOFJU-VIFPVBQESA-N -1 3 384.400 0.636 20 0 GCADHM CCc1nocc1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235686 953215063 /nfs/dbraw/zinc/21/50/63/953215063.db2.gz NGROWRLEMXDIHD-SNVBAGLBSA-N -1 3 384.400 0.732 20 0 GCADHM CCc1nocc1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235686 953215064 /nfs/dbraw/zinc/21/50/64/953215064.db2.gz NGROWRLEMXDIHD-SNVBAGLBSA-N -1 3 384.400 0.732 20 0 GCADHM O=C(Cc1ncccc1F)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236137 953215797 /nfs/dbraw/zinc/21/57/97/953215797.db2.gz RSGZMPVLVBQRPE-NSHDSACASA-N -1 3 384.375 0.302 20 0 GCADHM O=C(Cc1ncccc1F)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236137 953215801 /nfs/dbraw/zinc/21/58/01/953215801.db2.gz RSGZMPVLVBQRPE-NSHDSACASA-N -1 3 384.375 0.302 20 0 GCADHM O=C(c1cc(F)c[nH]1)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571235890 953215918 /nfs/dbraw/zinc/21/59/18/953215918.db2.gz QTAHZJXSFBBZPM-UHFFFAOYSA-N -1 3 384.375 0.650 20 0 GCADHM O=C(c1cc(F)c[nH]1)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571235890 953215921 /nfs/dbraw/zinc/21/59/21/953215921.db2.gz QTAHZJXSFBBZPM-UHFFFAOYSA-N -1 3 384.375 0.650 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)no1 ZINC001571235929 953216044 /nfs/dbraw/zinc/21/60/44/953216044.db2.gz RPALHKBQTXKPMK-KOLCDFICSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)no1 ZINC001571235929 953216045 /nfs/dbraw/zinc/21/60/45/953216045.db2.gz RPALHKBQTXKPMK-KOLCDFICSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1oncc1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571236159 953216556 /nfs/dbraw/zinc/21/65/56/953216556.db2.gz SOBVQQZIYJOKBX-HOMQSWHASA-N -1 3 384.400 0.684 20 0 GCADHM CCc1oncc1C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571236159 953216558 /nfs/dbraw/zinc/21/65/58/953216558.db2.gz SOBVQQZIYJOKBX-HOMQSWHASA-N -1 3 384.400 0.684 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571236172 953216932 /nfs/dbraw/zinc/21/69/32/953216932.db2.gz TUZOAKTZNXBOHQ-WDEREUQCSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571236172 953216934 /nfs/dbraw/zinc/21/69/34/953216934.db2.gz TUZOAKTZNXBOHQ-WDEREUQCSA-N -1 3 384.400 0.854 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCN(C(=O)c2ccncc2F)CC1 ZINC001571236184 953216940 /nfs/dbraw/zinc/21/69/40/953216940.db2.gz UKHNWXBMBDXZOH-UHFFFAOYSA-N -1 3 384.375 0.717 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCN(C(=O)c2ccncc2F)CC1 ZINC001571236184 953216941 /nfs/dbraw/zinc/21/69/41/953216941.db2.gz UKHNWXBMBDXZOH-UHFFFAOYSA-N -1 3 384.375 0.717 20 0 GCADHM O=C(c1ncccc1F)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571236431 953218169 /nfs/dbraw/zinc/21/81/69/953218169.db2.gz ZUZVXCRACQVBIX-GFCCVEGCSA-N -1 3 384.375 0.749 20 0 GCADHM O=C(c1ncccc1F)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571236431 953218171 /nfs/dbraw/zinc/21/81/71/953218171.db2.gz ZUZVXCRACQVBIX-GFCCVEGCSA-N -1 3 384.375 0.749 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccc(F)cn2)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571236428 953218235 /nfs/dbraw/zinc/21/82/35/953218235.db2.gz ZQSKQMQQBABOAR-UHFFFAOYSA-N -1 3 384.375 0.764 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccc(F)cn2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571236428 953218237 /nfs/dbraw/zinc/21/82/37/953218237.db2.gz ZQSKQMQQBABOAR-UHFFFAOYSA-N -1 3 384.375 0.764 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571236631 953218347 /nfs/dbraw/zinc/21/83/47/953218347.db2.gz AGPWQMDAXXXNRP-GWCFXTLKSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571236631 953218349 /nfs/dbraw/zinc/21/83/49/953218349.db2.gz AGPWQMDAXXXNRP-GWCFXTLKSA-N -1 3 384.400 0.900 20 0 GCADHM O=C(N[C@H]1CCN(Cc2noc3c2COCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571236871 953218792 /nfs/dbraw/zinc/21/87/92/953218792.db2.gz CMCKWEFTPSJGSM-NSHDSACASA-N -1 3 384.400 0.260 20 0 GCADHM O=C(N[C@H]1CCN(Cc2noc3c2COCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571236871 953218795 /nfs/dbraw/zinc/21/87/95/953218795.db2.gz CMCKWEFTPSJGSM-NSHDSACASA-N -1 3 384.400 0.260 20 0 GCADHM Cc1conc1C(=O)N[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1(C)C ZINC001571236876 953218814 /nfs/dbraw/zinc/21/88/14/953218814.db2.gz CMIRNPGKZBQSBN-LBPRGKRZSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1conc1C(=O)N[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001571236876 953218816 /nfs/dbraw/zinc/21/88/16/953218816.db2.gz CMIRNPGKZBQSBN-LBPRGKRZSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1nc(C(=O)N[C@H](C)C2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)o1 ZINC001571236692 953218849 /nfs/dbraw/zinc/21/88/49/953218849.db2.gz BOOOLWPHWRCKIF-MRVPVSSYSA-N -1 3 384.400 0.690 20 0 GCADHM Cc1nc(C(=O)N[C@H](C)C2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)o1 ZINC001571236692 953218853 /nfs/dbraw/zinc/21/88/53/953218853.db2.gz BOOOLWPHWRCKIF-MRVPVSSYSA-N -1 3 384.400 0.690 20 0 GCADHM Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571236730 953218898 /nfs/dbraw/zinc/21/88/98/953218898.db2.gz CIDSGMXKIUVICD-NSHDSACASA-N -1 3 384.400 0.312 20 0 GCADHM Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571236730 953218900 /nfs/dbraw/zinc/21/89/00/953218900.db2.gz CIDSGMXKIUVICD-NSHDSACASA-N -1 3 384.400 0.312 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@H]2C)no1 ZINC001571236727 953218956 /nfs/dbraw/zinc/21/89/56/953218956.db2.gz CFLNQCISHUYRIY-SKDRFNHKSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@H]2C)no1 ZINC001571236727 953218959 /nfs/dbraw/zinc/21/89/59/953218959.db2.gz CFLNQCISHUYRIY-SKDRFNHKSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cnoc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571237018 953219622 /nfs/dbraw/zinc/21/96/22/953219622.db2.gz FIIYENORPZVWES-RISCZKNCSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1cnoc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571237018 953219625 /nfs/dbraw/zinc/21/96/25/953219625.db2.gz FIIYENORPZVWES-RISCZKNCSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1nc(CN2CC3(C2)CN(C(=O)c2c[nH]c(-c4nnn[n-]4)c2)CCO3)co1 ZINC001571236969 953219779 /nfs/dbraw/zinc/21/97/79/953219779.db2.gz DIXDVCRRRDWVAK-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM Cc1nc(CN2CC3(C2)CN(C(=O)c2c[nH]c(-c4nn[n-]n4)c2)CCO3)co1 ZINC001571236969 953219781 /nfs/dbraw/zinc/21/97/81/953219781.db2.gz DIXDVCRRRDWVAK-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571236960 953220030 /nfs/dbraw/zinc/22/00/30/953220030.db2.gz DIUPXQPQMLMRIL-CMPLNLGQSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571236960 953220033 /nfs/dbraw/zinc/22/00/33/953220033.db2.gz DIUPXQPQMLMRIL-CMPLNLGQSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)o1 ZINC001571237458 953221568 /nfs/dbraw/zinc/22/15/68/953221568.db2.gz HYBRCBUOSHMPJL-UHFFFAOYSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1nc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)o1 ZINC001571237458 953221573 /nfs/dbraw/zinc/22/15/73/953221573.db2.gz HYBRCBUOSHMPJL-UHFFFAOYSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571237676 953221853 /nfs/dbraw/zinc/22/18/53/953221853.db2.gz LIIHRZITGZFQDH-JOYOIKCWSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571237676 953221855 /nfs/dbraw/zinc/22/18/55/953221855.db2.gz LIIHRZITGZFQDH-JOYOIKCWSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CC[C@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571237675 953222320 /nfs/dbraw/zinc/22/23/20/953222320.db2.gz LIIHRZITGZFQDH-CABZTGNLSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CC[C@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571237675 953222322 /nfs/dbraw/zinc/22/23/22/953222322.db2.gz LIIHRZITGZFQDH-CABZTGNLSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001571237884 953222856 /nfs/dbraw/zinc/22/28/56/953222856.db2.gz NBTJLHUNVSHXRQ-JQWIXIFHSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001571237884 953222859 /nfs/dbraw/zinc/22/28/59/953222859.db2.gz NBTJLHUNVSHXRQ-JQWIXIFHSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1ncc(CC(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)o1 ZINC001571237684 953222944 /nfs/dbraw/zinc/22/29/44/953222944.db2.gz LREJDZJZVZIJDJ-CABZTGNLSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1ncc(CC(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)o1 ZINC001571237684 953222945 /nfs/dbraw/zinc/22/29/45/953222945.db2.gz LREJDZJZVZIJDJ-CABZTGNLSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)[C@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC001571237746 953222987 /nfs/dbraw/zinc/22/29/87/953222987.db2.gz MXQLNIMQHSTZLN-SMDDNHRTSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)[C@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC001571237746 953222989 /nfs/dbraw/zinc/22/29/89/953222989.db2.gz MXQLNIMQHSTZLN-SMDDNHRTSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1cnoc1C(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571237891 953223179 /nfs/dbraw/zinc/22/31/79/953223179.db2.gz NGVYLVJOFKAFTH-LLVKDONJSA-N -1 3 384.400 0.916 20 0 GCADHM Cc1cnoc1C(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571237891 953223183 /nfs/dbraw/zinc/22/31/83/953223183.db2.gz NGVYLVJOFKAFTH-LLVKDONJSA-N -1 3 384.400 0.916 20 0 GCADHM Cc1ncc(CC(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001571237687 953223420 /nfs/dbraw/zinc/22/34/20/953223420.db2.gz LRRFAKXSJBMMPQ-YMTOWFKASA-N -1 3 384.400 0.311 20 0 GCADHM Cc1ncc(CC(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001571237687 953223422 /nfs/dbraw/zinc/22/34/22/953223422.db2.gz LRRFAKXSJBMMPQ-YMTOWFKASA-N -1 3 384.400 0.311 20 0 GCADHM Cc1nocc1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571237955 953223903 /nfs/dbraw/zinc/22/39/03/953223903.db2.gz OXACBCJJWRVVFL-MFKMUULPSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nocc1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571237955 953223905 /nfs/dbraw/zinc/22/39/05/953223905.db2.gz OXACBCJJWRVVFL-MFKMUULPSA-N -1 3 384.400 0.914 20 0 GCADHM COc1nc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571238146 953225316 /nfs/dbraw/zinc/22/53/16/953225316.db2.gz VMAUVQNCPYVMFJ-LLVKDONJSA-N -1 3 384.400 0.857 20 0 GCADHM COc1nc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571238146 953225317 /nfs/dbraw/zinc/22/53/17/953225317.db2.gz VMAUVQNCPYVMFJ-LLVKDONJSA-N -1 3 384.400 0.857 20 0 GCADHM Cc1nocc1CN1CC2(C1)CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CCO2 ZINC001571238201 953226259 /nfs/dbraw/zinc/22/62/59/953226259.db2.gz WLMIHDAYFAVAIF-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM Cc1nocc1CN1CC2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001571238201 953226261 /nfs/dbraw/zinc/22/62/61/953226261.db2.gz WLMIHDAYFAVAIF-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM C[C@@H](NC(=O)c1ccn(C)n1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571239746 953241900 /nfs/dbraw/zinc/24/19/00/953241900.db2.gz RXLXMDDFEXVLBO-LLVKDONJSA-N -1 3 384.419 0.990 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)[nH]c1=O ZINC001571239849 953243329 /nfs/dbraw/zinc/24/33/29/953243329.db2.gz ZNHCZNJHENDACF-ZJUUUORDSA-N -1 3 384.404 0.106 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@@H](C)C2)C1 ZINC001571241472 953246407 /nfs/dbraw/zinc/24/64/07/953246407.db2.gz AGQGYNMPHMIGIG-XHDPSFHLSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@@H](C)C2)C1 ZINC001571241472 953246410 /nfs/dbraw/zinc/24/64/10/953246410.db2.gz AGQGYNMPHMIGIG-XHDPSFHLSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001571241682 953249079 /nfs/dbraw/zinc/24/90/79/953249079.db2.gz IGMTUBNCSKXQLK-BMIGLBTASA-N -1 3 384.444 0.307 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001571241682 953249081 /nfs/dbraw/zinc/24/90/81/953249081.db2.gz IGMTUBNCSKXQLK-BMIGLBTASA-N -1 3 384.444 0.307 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001571241837 953250680 /nfs/dbraw/zinc/25/06/80/953250680.db2.gz MRCMEWLFHNFKRW-AWEZNQCLSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001571241837 953250682 /nfs/dbraw/zinc/25/06/82/953250682.db2.gz MRCMEWLFHNFKRW-AWEZNQCLSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CC1 ZINC001571242027 953252273 /nfs/dbraw/zinc/25/22/73/953252273.db2.gz TUESFJFGNHHCEB-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CC1 ZINC001571242027 953252275 /nfs/dbraw/zinc/25/22/75/953252275.db2.gz TUESFJFGNHHCEB-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM CC[C@](NS(=O)(=O)c1c(C)cc(F)cc1-c1nnn[n-]1)(C(N)=O)C(C)C ZINC001571242112 953253015 /nfs/dbraw/zinc/25/30/15/953253015.db2.gz UXITYTIZCRMIMR-OAHLLOKOSA-N -1 3 384.437 0.883 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242164 953253662 /nfs/dbraw/zinc/25/36/62/953253662.db2.gz BZSBENJVFQWYGS-KBXCAEBGSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242164 953253666 /nfs/dbraw/zinc/25/36/66/953253666.db2.gz 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384.440 0.697 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3cncs3)C[C@H]21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571242260 953254588 /nfs/dbraw/zinc/25/45/88/953254588.db2.gz XYGRXKSGVQIXCH-RTCCRHLQSA-N -1 3 384.425 0.399 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3cncs3)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571242260 953254589 /nfs/dbraw/zinc/25/45/89/953254589.db2.gz XYGRXKSGVQIXCH-RTCCRHLQSA-N -1 3 384.425 0.399 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC001571242323 953255242 /nfs/dbraw/zinc/25/52/42/953255242.db2.gz DFQOREDZXZQJFX-DZGCQCFKSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC001571242323 953255244 /nfs/dbraw/zinc/25/52/44/953255244.db2.gz DFQOREDZXZQJFX-DZGCQCFKSA-N -1 3 384.444 0.358 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571242363 953255583 /nfs/dbraw/zinc/25/55/83/953255583.db2.gz DLSSVPFRVNNEQM-TZMCWYRMSA-N -1 3 384.444 0.533 20 0 GCADHM 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IEBGJFGBPOJQQA-GXTWGEPZSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001571242513 953257209 /nfs/dbraw/zinc/25/72/09/953257209.db2.gz IEBGJFGBPOJQQA-GXTWGEPZSA-N -1 3 384.444 0.676 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001571242670 953258407 /nfs/dbraw/zinc/25/84/07/953258407.db2.gz LGDKDAYTYHCQQE-QWHCGFSZSA-N -1 3 384.444 0.167 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001571242670 953258410 /nfs/dbraw/zinc/25/84/10/953258410.db2.gz LGDKDAYTYHCQQE-QWHCGFSZSA-N -1 3 384.444 0.167 20 0 GCADHM CN1CC[C@H](CC(=O)N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)C1=O ZINC001571242658 953258500 /nfs/dbraw/zinc/25/85/00/953258500.db2.gz LBMQPAZCUQHWBC-OLZOCXBDSA-N -1 3 384.444 0.533 20 0 GCADHM CN1CC[C@H](CC(=O)N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)C1=O ZINC001571242658 953258504 /nfs/dbraw/zinc/25/85/04/953258504.db2.gz LBMQPAZCUQHWBC-OLZOCXBDSA-N -1 3 384.444 0.533 20 0 GCADHM 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CN(C[C@H]1CCCN1C(=O)[C@]1(C)CCC(=O)N1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571242741 953259381 /nfs/dbraw/zinc/25/93/81/953259381.db2.gz NBUXICOQCXRRCQ-ACJLOTCBSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571242701 953259724 /nfs/dbraw/zinc/25/97/24/953259724.db2.gz LZAWSNSQFIPZOM-KDOFPFPSSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@]1(C)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571242701 953259726 /nfs/dbraw/zinc/25/97/26/953259726.db2.gz LZAWSNSQFIPZOM-KDOFPFPSSA-N -1 3 384.444 0.358 20 0 GCADHM CCN1C[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571242761 953259769 /nfs/dbraw/zinc/25/97/69/953259769.db2.gz NJPZAAKKAJWMCE-UONOGXRCSA-N -1 3 384.444 0.533 20 0 GCADHM CCN1C[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571242761 953259771 /nfs/dbraw/zinc/25/97/71/953259771.db2.gz NJPZAAKKAJWMCE-UONOGXRCSA-N -1 3 384.444 0.533 20 0 GCADHM CN1CC[C@@H](CC(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)C1=O ZINC001571242785 953260200 /nfs/dbraw/zinc/26/02/00/953260200.db2.gz NVXYOQHUYSJJNA-OLZOCXBDSA-N -1 3 384.444 0.391 20 0 GCADHM CN1CC[C@@H](CC(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)C1=O ZINC001571242785 953260201 /nfs/dbraw/zinc/26/02/01/953260201.db2.gz NVXYOQHUYSJJNA-OLZOCXBDSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571243010 953261640 /nfs/dbraw/zinc/26/16/40/953261640.db2.gz SXSAAWAVXUVIQH-KGLIPLIRSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571243010 953261641 /nfs/dbraw/zinc/26/16/41/953261641.db2.gz SXSAAWAVXUVIQH-KGLIPLIRSA-N -1 3 384.444 0.215 20 0 GCADHM CC1(Nc2ccc(-c3nnn[n-]3)nc2)CCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC001571242938 953261886 /nfs/dbraw/zinc/26/18/86/953261886.db2.gz RJGHZLIETFCUIX-LBPRGKRZSA-N -1 3 384.444 0.581 20 0 GCADHM CC1(Nc2ccc(-c3nn[n-]n3)nc2)CCN(C(=O)C[C@@H]2CCNC2=O)CC1 ZINC001571242938 953261890 /nfs/dbraw/zinc/26/18/90/953261890.db2.gz RJGHZLIETFCUIX-LBPRGKRZSA-N -1 3 384.444 0.581 20 0 GCADHM CC1(Nc2ccc(-c3nnn[n-]3)nc2)CCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC001571242937 953262095 /nfs/dbraw/zinc/26/20/95/953262095.db2.gz RJGHZLIETFCUIX-GFCCVEGCSA-N -1 3 384.444 0.581 20 0 GCADHM CC1(Nc2ccc(-c3nn[n-]n3)nc2)CCN(C(=O)C[C@H]2CCNC2=O)CC1 ZINC001571242937 953262097 /nfs/dbraw/zinc/26/20/97/953262097.db2.gz RJGHZLIETFCUIX-GFCCVEGCSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001571243007 953262106 /nfs/dbraw/zinc/26/21/06/953262106.db2.gz SVOSMGOYFAIUGF-SGTLLEGYSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001571243007 953262107 /nfs/dbraw/zinc/26/21/07/953262107.db2.gz SVOSMGOYFAIUGF-SGTLLEGYSA-N -1 3 384.444 0.581 20 0 GCADHM CCN1C[C@@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)CC1=O ZINC001571243077 953262450 /nfs/dbraw/zinc/26/24/50/953262450.db2.gz VETDZGFWZBXDQK-ZDUSSCGKSA-N -1 3 384.444 0.087 20 0 GCADHM CCN1C[C@@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)CC1=O ZINC001571243077 953262451 /nfs/dbraw/zinc/26/24/51/953262451.db2.gz VETDZGFWZBXDQK-ZDUSSCGKSA-N -1 3 384.444 0.087 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571243094 953262575 /nfs/dbraw/zinc/26/25/75/953262575.db2.gz VVVKMKCCNJLHCF-HFBAOOFYSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571243094 953262578 /nfs/dbraw/zinc/26/25/78/953262578.db2.gz VVVKMKCCNJLHCF-HFBAOOFYSA-N -1 3 384.444 0.531 20 0 GCADHM CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571243037 953262849 /nfs/dbraw/zinc/26/28/49/953262849.db2.gz UMJXYJQKXUPCKO-BNOWGMLFSA-N -1 3 384.444 0.119 20 0 GCADHM CCN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571243037 953262851 /nfs/dbraw/zinc/26/28/51/953262851.db2.gz UMJXYJQKXUPCKO-BNOWGMLFSA-N -1 3 384.444 0.119 20 0 GCADHM CN(C[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571243147 953263258 /nfs/dbraw/zinc/26/32/58/953263258.db2.gz XENFQNKXGFBMAO-OLZOCXBDSA-N -1 3 384.444 0.073 20 0 GCADHM CN(C[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571243147 953263261 /nfs/dbraw/zinc/26/32/61/953263261.db2.gz XENFQNKXGFBMAO-OLZOCXBDSA-N -1 3 384.444 0.073 20 0 GCADHM CC1(C)CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571243116 953263368 /nfs/dbraw/zinc/26/33/68/953263368.db2.gz WQCRSKOHGHNYPB-RISCZKNCSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571243116 953263372 /nfs/dbraw/zinc/26/33/72/953263372.db2.gz WQCRSKOHGHNYPB-RISCZKNCSA-N -1 3 384.444 0.437 20 0 GCADHM CN1CC[C@@H](CC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC001571243131 953263408 /nfs/dbraw/zinc/26/34/08/953263408.db2.gz WTXAQUWHDCPJIW-ZDUSSCGKSA-N -1 3 384.444 0.169 20 0 GCADHM CN1CC[C@@H](CC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC001571243131 953263412 /nfs/dbraw/zinc/26/34/12/953263412.db2.gz WTXAQUWHDCPJIW-ZDUSSCGKSA-N -1 3 384.444 0.169 20 0 GCADHM CCCN1C[C@@H](C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CC1=O ZINC001571243211 953263965 /nfs/dbraw/zinc/26/39/65/953263965.db2.gz ZMTKHLSVCWCSEH-QWHCGFSZSA-N -1 3 384.444 0.215 20 0 GCADHM CCCN1C[C@@H](C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CC1=O ZINC001571243211 953263966 /nfs/dbraw/zinc/26/39/66/953263966.db2.gz ZMTKHLSVCWCSEH-QWHCGFSZSA-N -1 3 384.444 0.215 20 0 GCADHM CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571243221 953264016 /nfs/dbraw/zinc/26/40/16/953264016.db2.gz ZSZNOQWPKMYTLQ-CHWSQXEVSA-N -1 3 384.444 0.167 20 0 GCADHM CCN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571243221 953264017 /nfs/dbraw/zinc/26/40/17/953264017.db2.gz ZSZNOQWPKMYTLQ-CHWSQXEVSA-N -1 3 384.444 0.167 20 0 GCADHM CC[C@@H](C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)N1CCCC1=O ZINC001571243188 953264402 /nfs/dbraw/zinc/26/44/02/953264402.db2.gz YFIUAVJMAABIDJ-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM CC[C@@H](C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)N1CCCC1=O ZINC001571243188 953264403 /nfs/dbraw/zinc/26/44/03/953264403.db2.gz YFIUAVJMAABIDJ-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM CCn1nncc1CN1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1C ZINC001571245065 953269911 /nfs/dbraw/zinc/26/99/11/953269911.db2.gz DDCJPOVLCMRNBJ-DGCLKSJQSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1nncc1CN1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001571245065 953269915 /nfs/dbraw/zinc/26/99/15/953269915.db2.gz DDCJPOVLCMRNBJ-DGCLKSJQSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1nnc(C)c1CN1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571245287 953272216 /nfs/dbraw/zinc/27/22/16/953272216.db2.gz FSZMKWIYLHADSD-QMTHXVAHSA-N -1 3 384.448 0.365 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(Cc2ncnn2C)CC1 ZINC001571245279 953272442 /nfs/dbraw/zinc/27/24/42/953272442.db2.gz FPEXOTDGWCLSHK-LLVKDONJSA-N -1 3 384.448 0.354 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(Cc2ncnn2C)CC1 ZINC001571245279 953272443 /nfs/dbraw/zinc/27/24/43/953272443.db2.gz FPEXOTDGWCLSHK-LLVKDONJSA-N -1 3 384.448 0.354 20 0 GCADHM CCCn1c(C)nnc1CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571245752 953276808 /nfs/dbraw/zinc/27/68/08/953276808.db2.gz MCIARHSPGMZJCO-ZDUSSCGKSA-N -1 3 384.448 0.509 20 0 GCADHM CCCn1c(C)nnc1CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571245752 953276810 /nfs/dbraw/zinc/27/68/10/953276810.db2.gz MCIARHSPGMZJCO-ZDUSSCGKSA-N -1 3 384.448 0.509 20 0 GCADHM CCn1ncc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1 ZINC001571246243 953281727 /nfs/dbraw/zinc/28/17/27/953281727.db2.gz WVIOFVOTQKXOGG-AAEUAGOBSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1ncc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1 ZINC001571246243 953281729 /nfs/dbraw/zinc/28/17/29/953281729.db2.gz WVIOFVOTQKXOGG-AAEUAGOBSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1cc(CN2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)nn1 ZINC001571246352 953282696 /nfs/dbraw/zinc/28/26/96/953282696.db2.gz YPMFNPQNXFXNNT-ZDUSSCGKSA-N -1 3 384.448 0.591 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001571248111 953290008 /nfs/dbraw/zinc/29/00/08/953290008.db2.gz DXRWTEMHPJZRLJ-CHWSQXEVSA-N -1 3 384.444 0.438 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001571248111 953290010 /nfs/dbraw/zinc/29/00/10/953290010.db2.gz DXRWTEMHPJZRLJ-CHWSQXEVSA-N -1 3 384.444 0.438 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001571248115 953290119 /nfs/dbraw/zinc/29/01/19/953290119.db2.gz DXRWTEMHPJZRLJ-STQMWFEESA-N -1 3 384.444 0.438 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001571248115 953290123 /nfs/dbraw/zinc/29/01/23/953290123.db2.gz DXRWTEMHPJZRLJ-STQMWFEESA-N -1 3 384.444 0.438 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)ccc1-c1nnn[n-]1 ZINC001571248795 953296909 /nfs/dbraw/zinc/29/69/09/953296909.db2.gz IPQLKTPBSSDATH-QWHCGFSZSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)ccc1-c1nn[n-]n1 ZINC001571248795 953296914 /nfs/dbraw/zinc/29/69/14/953296914.db2.gz IPQLKTPBSSDATH-QWHCGFSZSA-N -1 3 384.444 0.181 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571248887 953298780 /nfs/dbraw/zinc/29/87/80/953298780.db2.gz LFDGEBFMCNOHHG-ZDUSSCGKSA-N -1 3 384.444 0.359 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571248887 953298782 /nfs/dbraw/zinc/29/87/82/953298782.db2.gz LFDGEBFMCNOHHG-ZDUSSCGKSA-N -1 3 384.444 0.359 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571251339 953316656 /nfs/dbraw/zinc/31/66/56/953316656.db2.gz UHNCKHCYFPCLRE-DYEKYZERSA-N -1 3 384.444 0.566 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571251339 953316658 /nfs/dbraw/zinc/31/66/58/953316658.db2.gz UHNCKHCYFPCLRE-DYEKYZERSA-N -1 3 384.444 0.566 20 0 GCADHM O=C(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001571251887 953322224 /nfs/dbraw/zinc/32/22/24/953322224.db2.gz CEHZMTVJYIKTMM-UHFFFAOYSA-N -1 3 384.787 0.910 20 0 GCADHM O=C(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001571251887 953322229 /nfs/dbraw/zinc/32/22/29/953322229.db2.gz CEHZMTVJYIKTMM-UHFFFAOYSA-N -1 3 384.787 0.910 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571252149 953324450 /nfs/dbraw/zinc/32/44/50/953324450.db2.gz XHEHJGZRDAIPFR-SGTLLEGYSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571252149 953324457 /nfs/dbraw/zinc/32/44/57/953324457.db2.gz XHEHJGZRDAIPFR-SGTLLEGYSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)n1 ZINC001571252174 953324989 /nfs/dbraw/zinc/32/49/89/953324989.db2.gz XTLITWCBZPYPEG-KZULUSFZSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)n1 ZINC001571252174 953324993 /nfs/dbraw/zinc/32/49/93/953324993.db2.gz XTLITWCBZPYPEG-KZULUSFZSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)n1 ZINC001571252176 953325090 /nfs/dbraw/zinc/32/50/90/953325090.db2.gz XTLITWCBZPYPEG-XIKOKIGWSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)n1 ZINC001571252176 953325092 /nfs/dbraw/zinc/32/50/92/953325092.db2.gz XTLITWCBZPYPEG-XIKOKIGWSA-N -1 3 384.444 0.499 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001571254278 953337446 /nfs/dbraw/zinc/33/74/46/953337446.db2.gz FHOGRGQSFYACDD-JQWIXIFHSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001571254278 953337448 /nfs/dbraw/zinc/33/74/48/953337448.db2.gz FHOGRGQSFYACDD-JQWIXIFHSA-N -1 3 385.407 0.922 20 0 GCADHM CC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)CC1 ZINC001571254526 953339780 /nfs/dbraw/zinc/33/97/80/953339780.db2.gz DSOUWGWKRQSLCB-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM CC(=O)N1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)CC1 ZINC001571254526 953339784 /nfs/dbraw/zinc/33/97/84/953339784.db2.gz DSOUWGWKRQSLCB-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccccc1F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571254695 953340835 /nfs/dbraw/zinc/34/08/35/953340835.db2.gz ICGSEEDIUMALQO-AWEZNQCLSA-N -1 3 385.403 0.965 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccccc1F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571254695 953340838 /nfs/dbraw/zinc/34/08/38/953340838.db2.gz ICGSEEDIUMALQO-AWEZNQCLSA-N -1 3 385.403 0.965 20 0 GCADHM Cc1coc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)c1 ZINC001571254722 953342466 /nfs/dbraw/zinc/34/24/66/953342466.db2.gz BYCSSJNFOHBDIF-WCQYABFASA-N -1 3 385.384 0.102 20 0 GCADHM Cc1coc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)c1 ZINC001571254722 953342469 /nfs/dbraw/zinc/34/24/69/953342469.db2.gz BYCSSJNFOHBDIF-WCQYABFASA-N -1 3 385.384 0.102 20 0 GCADHM Cc1ccc(F)cc1CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571254813 953343093 /nfs/dbraw/zinc/34/30/93/953343093.db2.gz JVHMDWCXGRXJJR-HZPDHXFCSA-N -1 3 385.403 0.617 20 0 GCADHM Cc1ccc(F)cc1CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571254813 953343096 /nfs/dbraw/zinc/34/30/96/953343096.db2.gz JVHMDWCXGRXJJR-HZPDHXFCSA-N -1 3 385.403 0.617 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O)c1ccc[nH]1 ZINC001571254826 953343329 /nfs/dbraw/zinc/34/33/29/953343329.db2.gz KAWYQMRUJVTLKZ-ZBFHGGJFSA-N -1 3 385.403 0.699 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001571254792 953343364 /nfs/dbraw/zinc/34/33/64/953343364.db2.gz JGUGPXPDICGPAP-UDKBDQPSSA-N -1 3 385.403 0.083 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001571254792 953343368 /nfs/dbraw/zinc/34/33/68/953343368.db2.gz JGUGPXPDICGPAP-UDKBDQPSSA-N -1 3 385.403 0.083 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cn2)c(=O)[nH]c1=O ZINC001571255025 953344188 /nfs/dbraw/zinc/34/41/88/953344188.db2.gz FQNJFKFQJLCZIN-UHFFFAOYSA-N -1 3 385.388 0.601 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cn2)c(=O)[nH]c1=O ZINC001571255025 953344192 /nfs/dbraw/zinc/34/41/92/953344192.db2.gz FQNJFKFQJLCZIN-UHFFFAOYSA-N -1 3 385.388 0.601 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001571255242 953347134 /nfs/dbraw/zinc/34/71/34/953347134.db2.gz NHHOJYIOQBWWLL-KQXIARHKSA-N -1 3 385.403 0.083 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001571255242 953347137 /nfs/dbraw/zinc/34/71/37/953347137.db2.gz NHHOJYIOQBWWLL-KQXIARHKSA-N -1 3 385.403 0.083 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1C[C@H](O)[C@@H](CO)C1 ZINC001571255330 953347526 /nfs/dbraw/zinc/34/75/26/953347526.db2.gz IBRZHVCVNSPOSP-HIFRSBDPSA-N -1 3 385.380 0.464 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1C[C@H](O)[C@@H](CO)C1 ZINC001571255330 953347530 /nfs/dbraw/zinc/34/75/30/953347530.db2.gz IBRZHVCVNSPOSP-HIFRSBDPSA-N -1 3 385.380 0.464 20 0 GCADHM Cc1nonc1C(=O)NC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571255377 953348341 /nfs/dbraw/zinc/34/83/41/953348341.db2.gz IVVDTHCTONIEBK-UHFFFAOYSA-N -1 3 385.388 0.357 20 0 GCADHM Cc1nonc1C(=O)NC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571255377 953348345 /nfs/dbraw/zinc/34/83/45/953348345.db2.gz IVVDTHCTONIEBK-UHFFFAOYSA-N -1 3 385.388 0.357 20 0 GCADHM O=C(NC[C@@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnon1 ZINC001571255591 953350793 /nfs/dbraw/zinc/35/07/93/953350793.db2.gz JUJMFLARPMNKEE-JTQLQIEISA-N -1 3 385.388 0.393 20 0 GCADHM O=C(NC[C@@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnon1 ZINC001571255591 953350795 /nfs/dbraw/zinc/35/07/95/953350795.db2.gz JUJMFLARPMNKEE-JTQLQIEISA-N -1 3 385.388 0.393 20 0 GCADHM O=C(NC[C@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnon1 ZINC001571255593 953350854 /nfs/dbraw/zinc/35/08/54/953350854.db2.gz JUJMFLARPMNKEE-SNVBAGLBSA-N -1 3 385.388 0.393 20 0 GCADHM O=C(NC[C@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnon1 ZINC001571255593 953350858 /nfs/dbraw/zinc/35/08/58/953350858.db2.gz JUJMFLARPMNKEE-SNVBAGLBSA-N -1 3 385.388 0.393 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001571255588 953351187 /nfs/dbraw/zinc/35/11/87/953351187.db2.gz QOGNNFYLRXRMNA-DGCLKSJQSA-N -1 3 385.407 0.946 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001571255588 953351190 /nfs/dbraw/zinc/35/11/90/953351190.db2.gz QOGNNFYLRXRMNA-DGCLKSJQSA-N -1 3 385.407 0.946 20 0 GCADHM COC(=O)[C@](C)(CO)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001571256009 953361211 /nfs/dbraw/zinc/36/12/11/953361211.db2.gz 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CCOc1ccc(N2C[C@H](C(=O)N(CCN(C)C)CC(=O)[O-])CC2=O)cc1 ZINC000769450258 955318829 /nfs/dbraw/zinc/31/88/29/955318829.db2.gz QOEZSCJEXPKTKB-CQSZACIVSA-N -1 3 377.441 0.913 20 0 GCADHM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2)cn1 ZINC001594538719 955606644 /nfs/dbraw/zinc/60/66/44/955606644.db2.gz GSVFXYWOBWZXPG-OHFALNGGSA-N -1 3 391.472 0.483 20 0 GCADHM CO[C@H](C(=O)[O-])C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001593902755 955888914 /nfs/dbraw/zinc/88/89/14/955888914.db2.gz XHVZTEBUBGHAIV-KRWDZBQOSA-N -1 3 391.468 0.573 20 0 GCADHM Cn1nccc1[C@@H](NC[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C(=O)[O-] ZINC001594594708 956076370 /nfs/dbraw/zinc/07/63/70/956076370.db2.gz HFXQSLNESFBJKL-CHWSQXEVSA-N -1 3 388.490 0.137 20 0 GCADHM COC[C@]1(C(=O)[O-])CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC001593967613 956572620 /nfs/dbraw/zinc/57/26/20/956572620.db2.gz UCIZTCMGIZQUBG-KRWDZBQOSA-N -1 3 379.369 0.487 20 0 GCADHM COCCN(C)CCN1C[C@@H](NC(=O)c2coc(/C=C/C(=O)[O-])c2)CC1=O ZINC001593995644 956890969 /nfs/dbraw/zinc/89/09/69/956890969.db2.gz LHUUQPRUFQQDNB-XGACYXMMSA-N -1 3 379.413 0.286 20 0 GCADHM NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC001118135275 957160572 /nfs/dbraw/zinc/16/05/72/957160572.db2.gz IXLVJONOZRSCRR-OAHLLOKOSA-N -1 3 397.497 0.712 20 0 GCADHM CC(C)N(CCCNC(=O)CN1CC[C@H](C(=O)[O-])[C@H](C)C1)S(C)(=O)=O ZINC001329223806 957692732 /nfs/dbraw/zinc/69/27/32/957692732.db2.gz VVZAMUKOVALTBT-KGLIPLIRSA-N -1 3 377.507 0.205 20 0 GCADHM COC(=O)C(C)(C)c1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001329303154 957693641 /nfs/dbraw/zinc/69/36/41/957693641.db2.gz JUMGOJNMPQLZHZ-UHFFFAOYSA-N -1 3 398.481 0.965 20 0 GCADHM CC(=O)NCCN(Cc1c(C)nn(CC(=O)OC(C)C)c1C)[C@H](C)C(=O)[O-] ZINC001573352996 958569636 /nfs/dbraw/zinc/56/96/36/958569636.db2.gz RESPFZXAOLSIDJ-CQSZACIVSA-N -1 3 382.461 0.863 20 0 GCADHM CC(=O)N1Cc2ccc(S(=O)(=O)NC3CCN(CC(=O)[O-])CC3)cc2C1 ZINC001588498201 958688484 /nfs/dbraw/zinc/68/84/84/958688484.db2.gz CIMHLXGHFOMFGG-UHFFFAOYSA-N -1 3 381.454 0.376 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC001588558356 959082705 /nfs/dbraw/zinc/08/27/05/959082705.db2.gz ZJBGJOFYXRRYKC-NZVBXONLSA-N -1 3 381.454 0.704 20 0 GCADHM C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000227904334 959977460 /nfs/dbraw/zinc/97/74/60/959977460.db2.gz HYXMSTXVTTYEMO-LLVKDONJSA-N -1 3 385.236 0.331 20 0 GCADHM O=C([O-])[C@]1(N2CCN(Cc3ccc(-n4cncn4)c(F)c3)CC2)CCOC1 ZINC001262156181 960783307 /nfs/dbraw/zinc/78/33/07/960783307.db2.gz JACRHJIFRAKNNJ-SFHVURJKSA-N -1 3 375.404 0.768 20 0 GCADHM O=C([O-])CCCNC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001327057019 961140613 /nfs/dbraw/zinc/14/06/13/961140613.db2.gz YQDNCCLIBFMLCY-INIZCTEOSA-N -1 3 377.441 0.375 20 0 GCADHM CCC1(N2CCOCC2)CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)CC1 ZINC001331730973 961383310 /nfs/dbraw/zinc/38/33/10/961383310.db2.gz PAFJCPXTALMQDU-LSDHHAIUSA-N -1 3 381.473 0.459 20 0 GCADHM CN1CCN(CCNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1(C)C ZINC001334849337 961843547 /nfs/dbraw/zinc/84/35/47/961843547.db2.gz LADMSPCPDBNOAZ-UHFFFAOYSA-N -1 3 385.486 0.454 20 0 GCADHM CS(=O)(=O)Nc1cccc(CN2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001339100268 961998741 /nfs/dbraw/zinc/99/87/41/961998741.db2.gz DZGFTFBWXJNGMW-KRWDZBQOSA-N -1 3 383.470 0.419 20 0 GCADHM C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001343057109 962159525 /nfs/dbraw/zinc/15/95/25/962159525.db2.gz WMTAIYCJUDVEBO-AUUYWEPGSA-N -1 3 376.457 0.790 20 0 GCADHM O=C([O-])[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)CC2)C1 ZINC001574648611 962406309 /nfs/dbraw/zinc/40/63/09/962406309.db2.gz WEOMGAJKEQIVBX-KDOFPFPSSA-N -1 3 399.513 0.200 20 0 GCADHM O=C([O-])C[NH+]1CCC(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC001574717049 962729878 /nfs/dbraw/zinc/72/98/78/962729878.db2.gz AHHBVSUFFRMFGV-UHFFFAOYSA-N -1 3 390.440 0.409 20 0 GCADHM CCOC(=O)c1ccc(C)c(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1 ZINC000574384235 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375.447 0.638 20 0 GCADHM COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC(=O)N(C)C1=O ZINC000287610036 530410290 /nfs/dbraw/zinc/41/02/90/530410290.db2.gz ZPPYPTHGRIQSTO-NSHDSACASA-N -1 3 390.845 0.791 20 0 GCADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2NS(C)(=O)=O)s1 ZINC000287659845 530410661 /nfs/dbraw/zinc/41/06/61/530410661.db2.gz CSKXFMSFWPIHCD-VHSXEESVSA-N -1 3 396.516 0.098 20 0 GCADHM C[C@@]1(C[C@H]2CCCN2C(=O)Cn2cc(Br)cn2)NC(=O)[N-]C1=O ZINC000287720991 530411668 /nfs/dbraw/zinc/41/16/68/530411668.db2.gz FINFPLKEQBIIPY-YGRLFVJLSA-N -1 3 384.234 0.625 20 0 GCADHM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1OC ZINC000592047832 530412244 /nfs/dbraw/zinc/41/22/44/530412244.db2.gz VIBPTBWKPITVRD-VHSXEESVSA-N -1 3 376.406 0.569 20 0 GCADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]CCN2CCN(C)C(C)(C)C2)s1 ZINC000287471829 530408683 /nfs/dbraw/zinc/40/86/83/530408683.db2.gz SEMMEWXUOQWOHQ-UHFFFAOYSA-N -1 3 375.520 0.406 20 0 GCADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](CO)C(C)(C)C)ccc1F ZINC000287535206 530409530 /nfs/dbraw/zinc/40/95/30/530409530.db2.gz ACRNNIPTKSOEMO-GFCCVEGCSA-N -1 3 375.422 0.196 20 0 GCADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CCSC[C@H](C)C2)ccc1F ZINC000288063672 530414358 /nfs/dbraw/zinc/41/43/58/530414358.db2.gz UTBWWHUXTMBLOC-SNVBAGLBSA-N -1 3 389.474 0.884 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000288113418 530414820 /nfs/dbraw/zinc/41/48/20/530414820.db2.gz LSTYZCNZWLNXBY-GZMMTYOYSA-N -1 3 385.870 0.870 20 0 GCADHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000288209990 530415361 /nfs/dbraw/zinc/41/53/61/530415361.db2.gz CGYWQLFCQGEMKX-CDJGPZEFSA-N -1 3 384.230 0.593 20 0 GCADHM CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cs1 ZINC000531213303 530417268 /nfs/dbraw/zinc/41/72/68/530417268.db2.gz DMEDBJMVBKAITE-VIFPVBQESA-N -1 3 391.496 0.976 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@@H]2C)cc(F)c1F ZINC000288373117 530417391 /nfs/dbraw/zinc/41/73/91/530417391.db2.gz JYAGAFMWHQCSOV-WRWORJQWSA-N -1 3 383.394 0.463 20 0 GCADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@@H]2C)c(Cl)c1 ZINC000288413875 530417884 /nfs/dbraw/zinc/41/78/84/530417884.db2.gz NTUSEQZVEYQETD-GZMMTYOYSA-N -1 3 381.859 0.838 20 0 GCADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)cn1 ZINC000288437176 530418013 /nfs/dbraw/zinc/41/80/13/530418013.db2.gz QCFSNGGCICJCND-WFASDCNBSA-N -1 3 384.435 0.258 20 0 GCADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)cn1 ZINC000288437172 530418075 /nfs/dbraw/zinc/41/80/75/530418075.db2.gz QCFSNGGCICJCND-SWLSCSKDSA-N -1 3 384.435 0.258 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCOCCOC)cc1F ZINC000288438819 530418091 /nfs/dbraw/zinc/41/80/91/530418091.db2.gz QGUGNCXCGWNHEK-UHFFFAOYSA-N -1 3 398.478 0.871 20 0 GCADHM COCCOCCOCCS(=O)(=O)[N-][C@@H]1COc2ccccc2[C@H]1O ZINC000288438658 530418247 /nfs/dbraw/zinc/41/82/47/530418247.db2.gz QCZNPEKAMMKQGO-GDBMZVCRSA-N -1 3 375.443 0.080 20 0 GCADHM CCc1ccc([N-]S(=O)(=O)CC(C)(C)C(=O)OC)cc1S(N)(=O)=O ZINC000288479434 530418487 /nfs/dbraw/zinc/41/84/87/530418487.db2.gz LBMOMTLWPAVICC-UHFFFAOYSA-N -1 3 378.472 0.837 20 0 GCADHM CNC(=O)[C@@H](C)NC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000531227348 530418766 /nfs/dbraw/zinc/41/87/66/530418766.db2.gz NBJIUVGVJDCBLV-PWSUYJOCSA-N -1 3 391.490 0.476 20 0 GCADHM COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000592929733 530419079 /nfs/dbraw/zinc/41/90/79/530419079.db2.gz QUIVEACMIFWZNJ-BDAKNGLRSA-N -1 3 396.874 0.062 20 0 GCADHM COC(=O)c1ccc(Br)c(S(=O)(=O)[N-]Cc2cnnn2C)c1 ZINC000288720287 530420023 /nfs/dbraw/zinc/42/00/23/530420023.db2.gz YRPSWXQOQXDVRW-UHFFFAOYSA-N -1 3 389.231 0.843 20 0 GCADHM O=S(=O)([N-]CCN(CCO)S(=O)(=O)c1cccs1)c1cccs1 ZINC000288871599 530421311 /nfs/dbraw/zinc/42/13/11/530421311.db2.gz GWKOROYJKDGZNF-UHFFFAOYSA-N -1 3 396.537 0.771 20 0 GCADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)c(F)c1 ZINC000593534035 530421899 /nfs/dbraw/zinc/42/18/99/530421899.db2.gz DYNJVRBONBWIJA-UHFFFAOYSA-N -1 3 386.323 0.959 20 0 GCADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCS2(=O)=O)c(F)c1 ZINC000593566160 530422250 /nfs/dbraw/zinc/42/22/50/530422250.db2.gz NEBBVVNHSSINAR-LLVKDONJSA-N -1 3 379.431 0.858 20 0 GCADHM COC(=O)C1([N-]S(=O)(=O)Cc2ccc(Cl)cc2)CCS(=O)(=O)CC1 ZINC000593563631 530422388 /nfs/dbraw/zinc/42/23/88/530422388.db2.gz PWNOEUJPUNBJBZ-UHFFFAOYSA-N -1 3 395.886 0.880 20 0 GCADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O)c(F)c1 ZINC000593528882 530422405 /nfs/dbraw/zinc/42/24/05/530422405.db2.gz QFXLJQIWQZIDKQ-UHFFFAOYSA-N -1 3 396.462 0.562 20 0 GCADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CO)[C@@H]2CCOC2)c(F)c1 ZINC000593591559 530422644 /nfs/dbraw/zinc/42/26/44/530422644.db2.gz OFMIJGGTQNNDGY-OLZOCXBDSA-N -1 3 375.418 0.926 20 0 GCADHM COC(=O)C(C)(C)CS(=O)(=O)[N-][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000289122610 530422987 /nfs/dbraw/zinc/42/29/87/530422987.db2.gz IRMFBAGXLGYXQG-GFCCVEGCSA-N -1 3 376.862 0.855 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0.840 20 0 GCADHM CCc1ccc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)cc1S(N)(=O)=O ZINC000656619855 530851170 /nfs/dbraw/zinc/85/11/70/530851170.db2.gz UUDWSZNLZANYPT-TZMCWYRMSA-N -1 3 392.499 0.690 20 0 GCADHM CO[C@@H](CS(=O)(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1)[C@@H]1CCOC1 ZINC000656616774 530851229 /nfs/dbraw/zinc/85/12/29/530851229.db2.gz ZWQCRJGNUWPGLT-YGRLFVJLSA-N -1 3 396.462 0.990 20 0 GCADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCN2C[C@H](C)OC[C@@H]2C)s1 ZINC000657088123 530874432 /nfs/dbraw/zinc/87/44/32/530874432.db2.gz AVGZNKWKBBECKS-RYUDHWBXSA-N -1 3 375.516 0.772 20 0 GCADHM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@@H](OC)[C@H]2CCOC2)c1C ZINC000656626824 530851948 /nfs/dbraw/zinc/85/19/48/530851948.db2.gz VQWSIZYQHWSXPG-GXTWGEPZSA-N -1 3 392.499 0.696 20 0 GCADHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)C[C@H]12 ZINC000498908610 530852685 /nfs/dbraw/zinc/85/26/85/530852685.db2.gz SYNOBCRSNYGBIV-ZCFIWIBFSA-N -1 3 380.245 0.435 20 0 GCADHM CCn1cc(S(=O)(=O)[N-]CCS(=O)(=O)NCc2ccccc2)nc1C ZINC000502440519 530874580 /nfs/dbraw/zinc/87/45/80/530874580.db2.gz OVWHEIIKEABJMP-UHFFFAOYSA-N -1 3 386.499 0.609 20 0 GCADHM CN1C[C@H](C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1=O ZINC000582862807 530855916 /nfs/dbraw/zinc/85/59/16/530855916.db2.gz KIHQJHUDJYJIRL-SECBINFHSA-N -1 3 394.280 0.866 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000499633497 530855949 /nfs/dbraw/zinc/85/59/49/530855949.db2.gz RRFFJCIKUDMKIS-JBLDHEPKSA-N -1 3 395.503 0.238 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000499878949 530856831 /nfs/dbraw/zinc/85/68/31/530856831.db2.gz ZGCWMIWBLBCWRV-QWRGUYRKSA-N -1 3 391.540 0.843 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000499878948 530856858 /nfs/dbraw/zinc/85/68/58/530856858.db2.gz ZGCWMIWBLBCWRV-MNOVXSKESA-N -1 3 391.540 0.843 20 0 GCADHM O=S(=O)(C[C@@H]1CCCS(=O)(=O)C1)[N-][C@H](CO)c1cc(F)ccc1F ZINC000656910308 530859426 /nfs/dbraw/zinc/85/94/26/530859426.db2.gz YBGJQBJQMSEOKR-QMTHXVAHSA-N -1 3 383.438 0.742 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@]1(O)CCSC1 ZINC000669622208 530861421 /nfs/dbraw/zinc/86/14/21/530861421.db2.gz XXPDAXNSVZXQSW-ZDUSSCGKSA-N -1 3 382.866 0.742 20 0 GCADHM CCC1CCN(S(=O)(=O)NCC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000656938757 530861516 /nfs/dbraw/zinc/86/15/16/530861516.db2.gz BNZXYAHGROBREB-UHFFFAOYSA-N -1 3 381.545 0.983 20 0 GCADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@H](C)[C@@H]3CN(C)CCO3)cc2C1 ZINC000656939671 530861980 /nfs/dbraw/zinc/86/19/80/530861980.db2.gz PYCASDPFIOUIHP-RISCZKNCSA-N -1 3 387.527 0.650 20 0 GCADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H](C)[C@H]3CN(C)CCO3)cc2C1 ZINC000656939673 530862021 /nfs/dbraw/zinc/86/20/21/530862021.db2.gz PYCASDPFIOUIHP-SMDDNHRTSA-N -1 3 387.527 0.650 20 0 GCADHM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCS(=O)(=O)C1 ZINC000500697796 530863838 /nfs/dbraw/zinc/86/38/38/530863838.db2.gz WGQXYRNGRURXBG-CYBMUJFWSA-N -1 3 396.874 0.060 20 0 GCADHM CC(C)(C)NC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000500810565 530864559 /nfs/dbraw/zinc/86/45/59/530864559.db2.gz RMLVAVHBICPSNP-UHFFFAOYSA-N -1 3 377.850 0.397 20 0 GCADHM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000500910751 530865243 /nfs/dbraw/zinc/86/52/43/530865243.db2.gz CIHAJARZVJFNLA-AWEZNQCLSA-N -1 3 390.849 0.938 20 0 GCADHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)COCC1CC1 ZINC000500936799 530865664 /nfs/dbraw/zinc/86/56/64/530865664.db2.gz BQMMTJJZBXEFIL-LBPRGKRZSA-N -1 3 392.861 0.270 20 0 GCADHM COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CCC1 ZINC000501013815 530866690 /nfs/dbraw/zinc/86/66/90/530866690.db2.gz MZCJAQZLLVGFRK-UHFFFAOYSA-N -1 3 390.845 0.968 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCc1c[nH]c2ncccc12 ZINC000501038319 530866741 /nfs/dbraw/zinc/86/67/41/530866741.db2.gz WPHFLUVIUPRXQE-UHFFFAOYSA-N -1 3 392.213 0.947 20 0 GCADHM CC(=O)N1CCc2sc(S(=O)(=O)[N-][C@@H]3CCC(=O)N(C)C3=O)cc2C1 ZINC000657019187 530868403 /nfs/dbraw/zinc/86/84/03/530868403.db2.gz WTAOJVUQIRLAMV-LLVKDONJSA-N -1 3 385.467 0.078 20 0 GCADHM CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000525950526 530868848 /nfs/dbraw/zinc/86/88/48/530868848.db2.gz XRSOVJNUMNVNGG-UHFFFAOYSA-N -1 3 387.405 0.660 20 0 GCADHM C[C@@H](CNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)S(N)(=O)=O ZINC000501383521 530868864 /nfs/dbraw/zinc/86/88/64/530868864.db2.gz IZXFUCVFYSLIMK-QMMMGPOBSA-N -1 3 394.450 0.065 20 0 GCADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]CC[C@@H](O)COC)c1 ZINC000501501765 530869735 /nfs/dbraw/zinc/86/97/35/530869735.db2.gz BNXGLXIZRMBGRV-LLVKDONJSA-N -1 3 379.406 0.687 20 0 GCADHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)CCCOCc1ccccc1 ZINC000657098699 530875250 /nfs/dbraw/zinc/87/52/50/530875250.db2.gz BNNBDUANWWZYAV-HUUCEWRRSA-N -1 3 377.484 0.325 20 0 GCADHM CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]C[C@@H]2COCCO2)c1 ZINC000501878505 530870931 /nfs/dbraw/zinc/87/09/31/530870931.db2.gz AZIZCBXPCWXBDR-LLVKDONJSA-N -1 3 377.390 0.705 20 0 GCADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cnc(NC(C)=O)s1)[C@@H]1CCCOC1 ZINC000584428229 530870981 /nfs/dbraw/zinc/87/09/81/530870981.db2.gz NHEOGSOTKKLIFB-ZYHUDNBSSA-N -1 3 391.471 0.738 20 0 GCADHM CNC(=O)CN1CCC([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 ZINC000502191527 530873575 /nfs/dbraw/zinc/87/35/75/530873575.db2.gz ABNOFHGQUGHLET-UHFFFAOYSA-N -1 3 375.472 0.023 20 0 GCADHM COC(=O)c1csc(S(=O)(=O)[N-]C2CCN(S(C)(=O)=O)CC2)c1 ZINC000502168318 530873653 /nfs/dbraw/zinc/87/36/53/530873653.db2.gz CRWNHWFUCHTATF-UHFFFAOYSA-N -1 3 382.485 0.237 20 0 GCADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(n2cc([C@H](C)O)nn2)C1 ZINC000378533184 530838997 /nfs/dbraw/zinc/83/89/97/530838997.db2.gz LNZXHIWDPPIVJB-ZJUUUORDSA-N -1 3 385.471 0.143 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C[S@@](C)=O ZINC000493554278 530839059 /nfs/dbraw/zinc/83/90/59/530839059.db2.gz WSLFRHSXAVGRSM-WIUDPPPLSA-N -1 3 382.529 0.372 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C[S@](C)=O ZINC000493554277 530839338 /nfs/dbraw/zinc/83/93/38/530839338.db2.gz WSLFRHSXAVGRSM-MQJDWESPSA-N -1 3 382.529 0.372 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](C)[C@H]1CO ZINC000493637393 530839484 /nfs/dbraw/zinc/83/94/84/530839484.db2.gz XKIRMKAKYRGWJB-QWHCGFSZSA-N -1 3 376.500 0.766 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccnc2)C[C@H]1O ZINC000349456344 530874044 /nfs/dbraw/zinc/87/40/44/530874044.db2.gz DMOAKVQOZJWXCQ-GXTWGEPZSA-N -1 3 377.488 0.246 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000493799564 530840014 /nfs/dbraw/zinc/84/00/14/530840014.db2.gz VKYKLYRYHOJLGN-ZIAGYGMSSA-N -1 3 387.527 0.700 20 0 GCADHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC[C@@H]2C)cn1 ZINC000656376810 530840452 /nfs/dbraw/zinc/84/04/52/530840452.db2.gz FQJXWFMRUCQEJE-LBPRGKRZSA-N -1 3 392.503 0.357 20 0 GCADHM CSCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000610147330 530840946 /nfs/dbraw/zinc/84/09/46/530840946.db2.gz LXDZJZCSHOYVBW-UHFFFAOYSA-N -1 3 375.447 0.684 20 0 GCADHM CC[C@H](C)N1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CC1 ZINC000656379893 530841153 /nfs/dbraw/zinc/84/11/53/530841153.db2.gz MOMRAFPLOYXIGH-ZDUSSCGKSA-N -1 3 393.535 0.287 20 0 GCADHM CC[C@H](C)CS(=O)(=O)[N-]CC(=O)Nc1cccc(S(=O)(=O)NC)c1 ZINC000502460477 530874155 /nfs/dbraw/zinc/87/41/55/530874155.db2.gz QKUHAPNXIQQZPN-NSHDSACASA-N -1 3 377.488 0.499 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2CCO)c(OC)c1 ZINC000494274893 530842476 /nfs/dbraw/zinc/84/24/76/530842476.db2.gz ULVBTUJCVINPBD-CYBMUJFWSA-N -1 3 392.499 0.992 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C)C[C@H]1C(N)=O ZINC000494307251 530843244 /nfs/dbraw/zinc/84/32/44/530843244.db2.gz FBINXDWDKWPHKB-RYUDHWBXSA-N -1 3 389.499 0.259 20 0 GCADHM Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cnc(C)nc2)[nH]n1 ZINC000656383061 530843636 /nfs/dbraw/zinc/84/36/36/530843636.db2.gz KSXUQYVLFNMTKF-UHFFFAOYSA-N -1 3 388.475 0.068 20 0 GCADHM Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cnc(C)nc2)n[nH]1 ZINC000656383061 530843638 /nfs/dbraw/zinc/84/36/38/530843638.db2.gz KSXUQYVLFNMTKF-UHFFFAOYSA-N -1 3 388.475 0.068 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@@H](C(N)=O)C1 ZINC000494378983 530843958 /nfs/dbraw/zinc/84/39/58/530843958.db2.gz UWLXEIOCMBGUDU-NOZJJQNGSA-N -1 3 393.462 0.472 20 0 GCADHM C[C@@H]([N-]S(=O)(=O)c1cccc(S(=O)(=O)N2CC(CO)C2)c1)C(C)(F)F ZINC000584361622 530844805 /nfs/dbraw/zinc/84/48/05/530844805.db2.gz XJJODHWSTQEENU-SNVBAGLBSA-N -1 3 398.453 0.621 20 0 GCADHM CC[C@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000582497807 530844902 /nfs/dbraw/zinc/84/49/02/530844902.db2.gz ZTEPTXUVNUQLCG-ZDUSSCGKSA-N -1 3 386.442 0.669 20 0 GCADHM CCN1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@@H](C)C1=O ZINC000494542543 530845124 /nfs/dbraw/zinc/84/51/24/530845124.db2.gz CQNYNKPJZFFBCL-JTQLQIEISA-N -1 3 393.462 0.439 20 0 GCADHM C[C@H]1COCCCN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000656389682 530845459 /nfs/dbraw/zinc/84/54/59/530845459.db2.gz VFGASGBJZFHGBG-LBPRGKRZSA-N -1 3 380.492 0.372 20 0 GCADHM CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)CCCCS(=O)(=O)[N-]c1cccnc1 ZINC000349594199 530898885 /nfs/dbraw/zinc/89/88/85/530898885.db2.gz VNANHXIUZFUVAK-KBPBESRZSA-N -1 3 391.515 0.682 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@H](O)C(F)F ZINC000506622812 530899410 /nfs/dbraw/zinc/89/94/10/530899410.db2.gz DKGJUCLKAQNMOK-LURJTMIESA-N -1 3 377.822 0.605 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NC[C@@H](O)[C@@H]1CCOC1 ZINC000506626821 530899757 /nfs/dbraw/zinc/89/97/57/530899757.db2.gz TUWLRCGMRFSZBI-NXEZZACHSA-N -1 3 397.906 0.376 20 0 GCADHM C[C@@H]1C[C@H](CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)CCO1 ZINC000349542356 530901710 /nfs/dbraw/zinc/90/17/10/530901710.db2.gz MZIHPAVHCSZMBD-VXGBXAGGSA-N -1 3 380.492 0.276 20 0 GCADHM CN1CCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(F)c2)CC1 ZINC000349542899 530901998 /nfs/dbraw/zinc/90/19/98/530901998.db2.gz YNUMNBYSAWDGGT-UHFFFAOYSA-N -1 3 394.494 0.320 20 0 GCADHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCCSC1 ZINC000349545065 530902399 /nfs/dbraw/zinc/90/23/99/530902399.db2.gz CHBHTNGPLQJXSC-LBPRGKRZSA-N -1 3 396.560 0.913 20 0 GCADHM CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 ZINC000480928934 530903371 /nfs/dbraw/zinc/90/33/71/530903371.db2.gz PUPODVDTETTXGF-UHFFFAOYSA-N -1 3 387.405 0.803 20 0 GCADHM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1(C)C ZINC000349550407 530904166 /nfs/dbraw/zinc/90/41/66/530904166.db2.gz HOHKSDMPGMCYTB-RYUDHWBXSA-N -1 3 380.492 0.274 20 0 GCADHM C[C@H]1CC[C@H](CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cccnc2)O1 ZINC000349554737 530904444 /nfs/dbraw/zinc/90/44/44/530904444.db2.gz MXIKLUDAPYCPCV-GXTWGEPZSA-N -1 3 377.488 0.700 20 0 GCADHM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCCCS1)[N-]c1cn[nH]c1 ZINC000349553840 530904689 /nfs/dbraw/zinc/90/46/89/530904689.db2.gz LULCVLUNMBSUDR-LBPRGKRZSA-N -1 3 382.533 0.747 20 0 GCADHM C[C@@H]1CCC[C@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ccnnc1 ZINC000349555954 530905207 /nfs/dbraw/zinc/90/52/07/530905207.db2.gz VRRFTEUPWXQZQC-OLZOCXBDSA-N -1 3 376.504 0.964 20 0 GCADHM O=C(NCCn1cncn1)c1sccc1S(=O)(=O)[N-]Cc1ccco1 ZINC000507671653 530906311 /nfs/dbraw/zinc/90/63/11/530906311.db2.gz WDQQCTYIPVNCHD-UHFFFAOYSA-N -1 3 381.439 0.841 20 0 GCADHM C[C@H]1SCC[C@H]1NS(=O)(=O)CCCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349596589 530908264 /nfs/dbraw/zinc/90/82/64/530908264.db2.gz YXKNSVYDQWLOTH-ZYHUDNBSSA-N -1 3 382.533 0.745 20 0 GCADHM CS[C@@H]1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccnnc2)C1 ZINC000349599046 530908913 /nfs/dbraw/zinc/90/89/13/530908913.db2.gz APUHYQWBZVHJTA-CYBMUJFWSA-N -1 3 394.544 0.766 20 0 GCADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)N2CCOCC2)c(Cl)c1 ZINC000508029059 530909816 /nfs/dbraw/zinc/90/98/16/530909816.db2.gz OQXRFPJJFQNFCT-JTQLQIEISA-N -1 3 390.845 0.652 20 0 GCADHM O=S(=O)(CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1O)[N-]c1cncc(F)c1 ZINC000349602635 530910047 /nfs/dbraw/zinc/91/00/47/530910047.db2.gz MBWZHQGJXNTQAS-ZIAGYGMSSA-N -1 3 395.478 0.575 20 0 GCADHM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCN(C)C2)c1C ZINC000349603300 530910122 /nfs/dbraw/zinc/91/01/22/530910122.db2.gz NAOTYVLPFRBILM-CYBMUJFWSA-N -1 3 394.519 0.294 20 0 GCADHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000657099887 530875838 /nfs/dbraw/zinc/87/58/38/530875838.db2.gz ICLYTLWYONDCGD-PSASIEDQSA-N -1 3 389.373 0.517 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccnnc2)CCCO1 ZINC000349479663 530876397 /nfs/dbraw/zinc/87/63/97/530876397.db2.gz VCKVAQKWMRCOSN-AWEZNQCLSA-N -1 3 392.503 0.439 20 0 GCADHM C[C@@]([N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1)(C(N)=O)c1ccccc1 ZINC000502728373 530876422 /nfs/dbraw/zinc/87/64/22/530876422.db2.gz NNPLQHACAQUEAU-INIZCTEOSA-N -1 3 382.463 0.769 20 0 GCADHM CCC(CC)(NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(N)=O ZINC000502762177 530876594 /nfs/dbraw/zinc/87/65/94/530876594.db2.gz ZCUDLUVGFFMBKV-UHFFFAOYSA-N -1 3 377.413 0.794 20 0 GCADHM COC(=O)[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccccc1 ZINC000502741707 530876657 /nfs/dbraw/zinc/87/66/57/530876657.db2.gz UAYCMIRSSOLTFT-LBPRGKRZSA-N -1 3 396.197 0.742 20 0 GCADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCOC[C@@H]2CCOC2)s1 ZINC000610510755 530910496 /nfs/dbraw/zinc/91/04/96/530910496.db2.gz JLJXQWNHLXOVHC-SNVBAGLBSA-N -1 3 379.456 0.875 20 0 GCADHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C1(CO)CC1 ZINC000657101920 530876998 /nfs/dbraw/zinc/87/69/98/530876998.db2.gz FPEXGAXILUSKMV-ZDUSSCGKSA-N -1 3 388.511 0.910 20 0 GCADHM CCc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H]2CCOC2)cn1 ZINC000349527772 530878064 /nfs/dbraw/zinc/87/80/64/530878064.db2.gz WIDPFKJZHJJJQM-CYBMUJFWSA-N -1 3 392.503 0.221 20 0 GCADHM CS(=O)(=O)[N-]c1cncc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)c1 ZINC000502977754 530878332 /nfs/dbraw/zinc/87/83/32/530878332.db2.gz BYZSLCHPCKOFCW-CYBMUJFWSA-N -1 3 384.483 0.494 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000502975056 530878351 /nfs/dbraw/zinc/87/83/51/530878351.db2.gz ATDBYFHLEWBTOL-ZDUSSCGKSA-N -1 3 386.499 0.837 20 0 GCADHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NCC(=O)N1CCCC1 ZINC000503136610 530879444 /nfs/dbraw/zinc/87/94/44/530879444.db2.gz AKIZJTWBWZJIJO-UHFFFAOYSA-N -1 3 375.397 0.372 20 0 GCADHM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)Cc2nc[nH]n2)n1 ZINC000349487655 530879509 /nfs/dbraw/zinc/87/95/09/530879509.db2.gz XQVJHDNUOXGNQR-UHFFFAOYSA-N -1 3 388.475 0.102 20 0 GCADHM Cc1cccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)Cc2nnc[nH]2)n1 ZINC000349487655 530879510 /nfs/dbraw/zinc/87/95/10/530879510.db2.gz XQVJHDNUOXGNQR-UHFFFAOYSA-N -1 3 388.475 0.102 20 0 GCADHM CCN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)[C@H](C)CS(=O)(=O)CC ZINC000503339176 530880380 /nfs/dbraw/zinc/88/03/80/530880380.db2.gz HEIBQQYNXVXUGM-LLVKDONJSA-N -1 3 377.488 0.738 20 0 GCADHM CCc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(N(C)C)C1 ZINC000349496852 530881955 /nfs/dbraw/zinc/88/19/55/530881955.db2.gz HINGAHJSYNBBHB-UHFFFAOYSA-N -1 3 390.531 0.351 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2cc(F)c[n-]c2=O)CC1 ZINC000621898423 530883269 /nfs/dbraw/zinc/88/32/69/530883269.db2.gz TYUBOKMRHVLLPR-UHFFFAOYSA-N -1 3 375.422 0.439 20 0 GCADHM Cc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](C)[C@@H]2CO)c1 ZINC000349504386 530883467 /nfs/dbraw/zinc/88/34/67/530883467.db2.gz VQESMYVIPMKXST-ZFWWWQNUSA-N -1 3 391.515 0.554 20 0 GCADHM CCCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000066606419 530883966 /nfs/dbraw/zinc/88/39/66/530883966.db2.gz MQTSTWAGVAYMNN-LLVKDONJSA-N -1 3 391.540 0.974 20 0 GCADHM COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCn1ncnn1 ZINC000503872067 530884535 /nfs/dbraw/zinc/88/45/35/530884535.db2.gz MLPVRVQZVARSCN-UHFFFAOYSA-N -1 3 380.199 0.562 20 0 GCADHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CO)CC1CC1 ZINC000657183093 530884708 /nfs/dbraw/zinc/88/47/08/530884708.db2.gz VUTQHMHMVBVWLL-NSHDSACASA-N -1 3 376.862 0.891 20 0 GCADHM C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1 ZINC000349507030 530884831 /nfs/dbraw/zinc/88/48/31/530884831.db2.gz KWYJSABZYJZOMX-HIFRSBDPSA-N -1 3 391.515 0.779 20 0 GCADHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cn1 ZINC000349509544 530885254 /nfs/dbraw/zinc/88/52/54/530885254.db2.gz ZBBVQUYACVPJPQ-ZIAGYGMSSA-N -1 3 388.515 0.979 20 0 GCADHM Cc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC2CC(O)C2)c1 ZINC000349508769 530885687 /nfs/dbraw/zinc/88/56/87/530885687.db2.gz ZJRYQWZPAZZCGM-UHFFFAOYSA-N -1 3 391.515 0.554 20 0 GCADHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC1(O)CCCC1 ZINC000349512963 530886237 /nfs/dbraw/zinc/88/62/37/530886237.db2.gz SYEWCARPPCCOJJ-UHFFFAOYSA-N -1 3 394.519 0.417 20 0 GCADHM CN(CCOCC[N-]S(=O)(=O)c1ccco1)S(=O)(=O)c1ccco1 ZINC000660000875 530886321 /nfs/dbraw/zinc/88/63/21/530886321.db2.gz JLAHJJYKUMSGLS-UHFFFAOYSA-N -1 3 378.428 0.488 20 0 GCADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000504084417 530887175 /nfs/dbraw/zinc/88/71/75/530887175.db2.gz BRWOTFLIQNWLOW-VXGBXAGGSA-N -1 3 394.540 0.841 20 0 GCADHM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(F)c[n-]c2=O)C1 ZINC000621972922 530887438 /nfs/dbraw/zinc/88/74/38/530887438.db2.gz VYTPDYRQVVSTIS-GFCCVEGCSA-N -1 3 375.422 0.439 20 0 GCADHM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2Cl)C1 ZINC000349517984 530887989 /nfs/dbraw/zinc/88/79/89/530887989.db2.gz GKSLZSOTCFUQRL-UHFFFAOYSA-N -1 3 397.906 0.917 20 0 GCADHM O=S(=O)(CCCS(=O)(=O)N1CCC[C@@H]1CO)[N-]c1ncccc1Cl ZINC000349522097 530888505 /nfs/dbraw/zinc/88/85/05/530888505.db2.gz VGUJPMNYTYHLFG-LLVKDONJSA-N -1 3 397.906 0.653 20 0 GCADHM O=S(=O)(CCCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1)[N-]c1cn[nH]c1 ZINC000349519698 530888848 /nfs/dbraw/zinc/88/88/48/530888848.db2.gz JAVBHYQDKCJDSD-CQSZACIVSA-N -1 3 391.519 0.041 20 0 GCADHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000349524705 530889562 /nfs/dbraw/zinc/88/95/62/530889562.db2.gz NXDATTIXQZIBDJ-CHWSQXEVSA-N -1 3 394.519 0.333 20 0 GCADHM CCn1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)C(C)(C)C2)cn1 ZINC000349466646 530890477 /nfs/dbraw/zinc/89/04/77/530890477.db2.gz QXMOWFBNJPDTFZ-ZDUSSCGKSA-N -1 3 394.519 0.067 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(F)c2)C[C@@H]1O ZINC000349468897 530891148 /nfs/dbraw/zinc/89/11/48/530891148.db2.gz VZHYYIUWSIYGOF-RISCZKNCSA-N -1 3 395.478 0.385 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C(C)(C)C)CC1 ZINC000349470970 530891497 /nfs/dbraw/zinc/89/14/97/530891497.db2.gz NUUSIJDOTAOWCI-UHFFFAOYSA-N -1 3 375.516 0.700 20 0 GCADHM COC(=O)Cn1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000067924560 530891866 /nfs/dbraw/zinc/89/18/66/530891866.db2.gz VEGDCQVCPOTOMT-UHFFFAOYSA-N -1 3 392.846 0.688 20 0 GCADHM C[C@]1(O)CCCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)CC1 ZINC000349474000 530892160 /nfs/dbraw/zinc/89/21/60/530892160.db2.gz JDRUTZZRVNURCY-ZDUSSCGKSA-N -1 3 380.492 0.108 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1C[C@H](CO)Cc2ccccc21 ZINC000646524464 530892416 /nfs/dbraw/zinc/89/24/16/530892416.db2.gz YDSAQUMDNGYBDT-SNVBAGLBSA-N -1 3 394.225 0.909 20 0 GCADHM CSC[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349474789 530892371 /nfs/dbraw/zinc/89/23/71/530892371.db2.gz KMKLGXOGPPZEKL-GFCCVEGCSA-N -1 3 382.533 0.699 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[C@](F)(CO)C1 ZINC000670144075 530892698 /nfs/dbraw/zinc/89/26/98/530892698.db2.gz BZBMSGHZGGETLW-GFCCVEGCSA-N -1 3 385.870 0.796 20 0 GCADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000505241924 530893124 /nfs/dbraw/zinc/89/31/24/530893124.db2.gz DDJXUGILVAXICI-ZYHUDNBSSA-N -1 3 392.524 0.593 20 0 GCADHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1C[C@H](C)O[C@H]1C ZINC000349569420 530893586 /nfs/dbraw/zinc/89/35/86/530893586.db2.gz BUKNHUUCQWCAJQ-DRZSPHRISA-N -1 3 394.519 0.583 20 0 GCADHM COc1ccnc(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)c1 ZINC000660006020 530893585 /nfs/dbraw/zinc/89/35/85/530893585.db2.gz XMLGOTCNDIXNDC-UHFFFAOYSA-N -1 3 386.451 0.981 20 0 GCADHM C[C@]1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)CCCC[C@H]1O ZINC000349574718 530894729 /nfs/dbraw/zinc/89/47/29/530894729.db2.gz NBANYZFJWXWECM-ZIAGYGMSSA-N -1 3 394.519 0.402 20 0 GCADHM NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)s1 ZINC000068624699 530895168 /nfs/dbraw/zinc/89/51/68/530895168.db2.gz YTWUYIFCMDJJBR-UHFFFAOYSA-N -1 3 380.407 0.601 20 0 GCADHM CCc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CO[C@H](C)C2)cn1 ZINC000349576007 530895320 /nfs/dbraw/zinc/89/53/20/530895320.db2.gz PBSFQJQNTRHJIZ-NEPJUHHUSA-N -1 3 392.503 0.268 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCCOC[C@H]1CCOC1 ZINC000068557550 530895720 /nfs/dbraw/zinc/89/57/20/530895720.db2.gz SQPHOEOVWWPXBG-JTQLQIEISA-N -1 3 382.891 0.849 20 0 GCADHM O=S(=O)([N-][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc(F)c(F)c1 ZINC000272036624 530896049 /nfs/dbraw/zinc/89/60/49/530896049.db2.gz ZPWILTNEXWKILB-QMTHXVAHSA-N -1 3 381.422 0.979 20 0 GCADHM CN([C@@H]1CCOC1)S(=O)(=O)CCCCS(=O)(=O)[N-]c1cncc(F)c1 ZINC000349587558 530896808 /nfs/dbraw/zinc/89/68/08/530896808.db2.gz HECUMJYBLGRNOT-CQSZACIVSA-N -1 3 395.478 0.793 20 0 GCADHM Cc1ncc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](C)C2)cn1 ZINC000349585527 530897058 /nfs/dbraw/zinc/89/70/58/530897058.db2.gz DCDZNAFUFQZDHN-GFCCVEGCSA-N -1 3 376.504 0.979 20 0 GCADHM O[C@@]1(CN=c2cc(NC[C@@]3(O)CCSC3)n3[n-]cnc3n2)CCSC1 ZINC000480056728 530897449 /nfs/dbraw/zinc/89/74/49/530897449.db2.gz AODDQLPWRNIRJX-CABCVRRESA-N -1 3 382.515 0.106 20 0 GCADHM COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)[N-][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000510659704 530929272 /nfs/dbraw/zinc/92/92/72/530929272.db2.gz DWQLSAHRDHJIKB-MGPQQGTHSA-N -1 3 388.873 0.998 20 0 GCADHM CC(=O)NCCCNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000510823398 530930836 /nfs/dbraw/zinc/93/08/36/530930836.db2.gz AURFEXDBDGUYFE-UHFFFAOYSA-N -1 3 394.856 0.583 20 0 GCADHM CCNC(=O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000510894347 530931202 /nfs/dbraw/zinc/93/12/02/530931202.db2.gz DETIPYOCGBGWSW-UHFFFAOYSA-N -1 3 380.829 0.193 20 0 GCADHM CCC[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(N)=O ZINC000511001782 530931841 /nfs/dbraw/zinc/93/18/41/530931841.db2.gz RNXHYWSMMCFTQT-LBPRGKRZSA-N -1 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CS(=O)(=O)CCCS(=O)(=O)[N-][C@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000443212591 531198544 /nfs/dbraw/zinc/19/85/44/531198544.db2.gz NWLCLFHOKOIVEN-CHWSQXEVSA-N -1 3 385.454 0.578 20 0 GCADHM CS(=O)(=O)CCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000443212596 531198618 /nfs/dbraw/zinc/19/86/18/531198618.db2.gz NWLCLFHOKOIVEN-STQMWFEESA-N -1 3 385.454 0.578 20 0 GCADHM Cc1cc(S(=O)(=O)[N-][C@]2(C(N)=O)CCOC2)c(F)cc1Br ZINC000566477668 531198255 /nfs/dbraw/zinc/19/82/55/531198255.db2.gz JDWWDAVVUOYWJO-GFCCVEGCSA-N -1 3 381.223 0.819 20 0 GCADHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000359991453 212130410 /nfs/dbraw/zinc/13/04/10/212130410.db2.gz DRBWMRWOKDBZEI-CQSZACIVSA-N -1 3 384.454 0.667 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000737025423 598823268 /nfs/dbraw/zinc/82/32/68/598823268.db2.gz QIEDYZIUSPRZSJ-QWRGUYRKSA-N -1 3 397.457 0.534 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000737025423 598823269 /nfs/dbraw/zinc/82/32/69/598823269.db2.gz QIEDYZIUSPRZSJ-QWRGUYRKSA-N -1 3 397.457 0.534 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736655301 598824357 /nfs/dbraw/zinc/82/43/57/598824357.db2.gz AVXVOCLYQXXXGB-WFASDCNBSA-N -1 3 392.485 0.775 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736655299 598824581 /nfs/dbraw/zinc/82/45/81/598824581.db2.gz AVXVOCLYQXXXGB-IUODEOHRSA-N -1 3 392.485 0.775 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H](C)CS(C)(=O)=O)c(-c2nnn[n-]2)c(C)c1C ZINC000737481989 598825053 /nfs/dbraw/zinc/82/50/53/598825053.db2.gz DNXUUAGOVIZNIP-QMMMGPOBSA-N -1 3 398.514 0.828 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H](C)CS(C)(=O)=O)c(-c2nn[n-]n2)c(C)c1C ZINC000737481989 598825055 /nfs/dbraw/zinc/82/50/55/598825055.db2.gz DNXUUAGOVIZNIP-QMMMGPOBSA-N -1 3 398.514 0.828 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736884657 598827652 /nfs/dbraw/zinc/82/76/52/598827652.db2.gz WKQHLXXEFQKXGR-MMQHEFTJSA-N -1 3 376.442 0.420 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736884657 598827653 /nfs/dbraw/zinc/82/76/53/598827653.db2.gz WKQHLXXEFQKXGR-MMQHEFTJSA-N -1 3 376.442 0.420 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735571671 598830969 /nfs/dbraw/zinc/83/09/69/598830969.db2.gz GVUCWLCKCOQOAK-RYUDHWBXSA-N -1 3 380.474 0.236 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735571671 598830971 /nfs/dbraw/zinc/83/09/71/598830971.db2.gz GVUCWLCKCOQOAK-RYUDHWBXSA-N -1 3 380.474 0.236 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736655335 598836188 /nfs/dbraw/zinc/83/61/88/598836188.db2.gz BUCJTUSIBACTBZ-VIFPVBQESA-N -1 3 391.450 0.450 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)OCCc1cccs1 ZINC000737895151 598842574 /nfs/dbraw/zinc/84/25/74/598842574.db2.gz MVJCQDLUKWDSLP-UHFFFAOYSA-N -1 3 393.450 0.992 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)OCCc1cccs1 ZINC000737895151 598842576 /nfs/dbraw/zinc/84/25/76/598842576.db2.gz MVJCQDLUKWDSLP-UHFFFAOYSA-N -1 3 393.450 0.992 20 0 GCADHM COC(=O)CCc1nc(COC(=O)CNc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000736919590 598843566 /nfs/dbraw/zinc/84/35/66/598843566.db2.gz SLJCCYDDUOCLRB-UHFFFAOYSA-N -1 3 387.356 0.511 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)OCCCN1C(=O)CNC1=O ZINC000737946349 598845695 /nfs/dbraw/zinc/84/56/95/598845695.db2.gz BQCNOHOTDPPJNN-UHFFFAOYSA-N -1 3 376.398 0.444 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)OCCCN1C(=O)CNC1=O ZINC000737946349 598845697 /nfs/dbraw/zinc/84/56/97/598845697.db2.gz BQCNOHOTDPPJNN-UHFFFAOYSA-N -1 3 376.398 0.444 20 0 GCADHM CN(CC(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(=O)C1CC1 ZINC000736788536 598845913 /nfs/dbraw/zinc/84/59/13/598845913.db2.gz SRIJHLIRPKXRFT-AWEZNQCLSA-N -1 3 384.396 0.384 20 0 GCADHM CN(CC(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(=O)C1CC1 ZINC000736788536 598845916 /nfs/dbraw/zinc/84/59/16/598845916.db2.gz SRIJHLIRPKXRFT-AWEZNQCLSA-N -1 3 384.396 0.384 20 0 GCADHM COC(=O)N[C@H](C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736936026 598846210 /nfs/dbraw/zinc/84/62/10/598846210.db2.gz MTCQQXNBGQCNCU-AWEZNQCLSA-N -1 3 390.400 0.407 20 0 GCADHM COC(=O)N[C@H](C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736936026 598846211 /nfs/dbraw/zinc/84/62/11/598846211.db2.gz MTCQQXNBGQCNCU-AWEZNQCLSA-N -1 3 390.400 0.407 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736291943 598846341 /nfs/dbraw/zinc/84/63/41/598846341.db2.gz DXQNIFXVTJCNMA-MRVPVSSYSA-N -1 3 398.832 0.104 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736291943 598846342 /nfs/dbraw/zinc/84/63/42/598846342.db2.gz DXQNIFXVTJCNMA-MRVPVSSYSA-N -1 3 398.832 0.104 20 0 GCADHM Cn1cccc(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1=O ZINC000737613453 598846485 /nfs/dbraw/zinc/84/64/85/598846485.db2.gz PALIAHPEJJVQGL-CQSZACIVSA-N -1 3 380.364 0.528 20 0 GCADHM Cn1cccc(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1=O ZINC000737613453 598846486 /nfs/dbraw/zinc/84/64/86/598846486.db2.gz PALIAHPEJJVQGL-CQSZACIVSA-N -1 3 380.364 0.528 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737203556 598846771 /nfs/dbraw/zinc/84/67/71/598846771.db2.gz VFKUXSBVLPTEBM-UHFFFAOYSA-N -1 3 383.343 0.936 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737203556 598846773 /nfs/dbraw/zinc/84/67/73/598846773.db2.gz VFKUXSBVLPTEBM-UHFFFAOYSA-N -1 3 383.343 0.936 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)n1C ZINC000737520889 598846799 /nfs/dbraw/zinc/84/67/99/598846799.db2.gz JUBDSJGBFNOYDQ-UHFFFAOYSA-N -1 3 381.444 0.191 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1C ZINC000737520889 598846800 /nfs/dbraw/zinc/84/68/00/598846800.db2.gz JUBDSJGBFNOYDQ-UHFFFAOYSA-N -1 3 381.444 0.191 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737174297 598848526 /nfs/dbraw/zinc/84/85/26/598848526.db2.gz UCJPCTDLKLXOFQ-UHFFFAOYSA-N -1 3 391.365 0.659 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737174297 598848527 /nfs/dbraw/zinc/84/85/27/598848527.db2.gz UCJPCTDLKLXOFQ-UHFFFAOYSA-N -1 3 391.365 0.659 20 0 GCADHM O=C(COC(=O)COC[C@@H]1CCCO1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737903831 598849522 /nfs/dbraw/zinc/84/95/22/598849522.db2.gz CEISOJILPKWZJW-AWEZNQCLSA-N -1 3 375.385 0.222 20 0 GCADHM O=C(COC(=O)COC[C@@H]1CCCO1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737903831 598849523 /nfs/dbraw/zinc/84/95/23/598849523.db2.gz CEISOJILPKWZJW-AWEZNQCLSA-N -1 3 375.385 0.222 20 0 GCADHM O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738301041 598850559 /nfs/dbraw/zinc/85/05/59/598850559.db2.gz IKWUQWQGAFRISA-GFCCVEGCSA-N -1 3 377.364 0.719 20 0 GCADHM O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738301041 598850560 /nfs/dbraw/zinc/85/05/60/598850560.db2.gz IKWUQWQGAFRISA-GFCCVEGCSA-N -1 3 377.364 0.719 20 0 GCADHM COC(=O)[C@H]1CN(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000736912883 598850655 /nfs/dbraw/zinc/85/06/55/598850655.db2.gz SLGFRHNLHSZBNK-CQSZACIVSA-N -1 3 384.400 0.265 20 0 GCADHM COC(=O)[C@H]1CN(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000736912883 598850657 /nfs/dbraw/zinc/85/06/57/598850657.db2.gz SLGFRHNLHSZBNK-CQSZACIVSA-N -1 3 384.400 0.265 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736656937 598852401 /nfs/dbraw/zinc/85/24/01/598852401.db2.gz PPHVOLRQJNHPNI-LLVKDONJSA-N -1 3 396.477 0.138 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736656937 598852402 /nfs/dbraw/zinc/85/24/02/598852402.db2.gz PPHVOLRQJNHPNI-LLVKDONJSA-N -1 3 396.477 0.138 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736883250 598853019 /nfs/dbraw/zinc/85/30/19/598853019.db2.gz QCVWQHFVAPSNGW-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736883250 598853021 /nfs/dbraw/zinc/85/30/21/598853021.db2.gz QCVWQHFVAPSNGW-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM O=C(CCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC000737846148 598856207 /nfs/dbraw/zinc/85/62/07/598856207.db2.gz GJPOACXFVDRYCI-UHFFFAOYSA-N -1 3 379.380 0.950 20 0 GCADHM O=C(CCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC000737846148 598856208 /nfs/dbraw/zinc/85/62/08/598856208.db2.gz GJPOACXFVDRYCI-UHFFFAOYSA-N -1 3 379.380 0.950 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000736901617 598859592 /nfs/dbraw/zinc/85/95/92/598859592.db2.gz NBTDEWCNCTWWQN-MRXNPFEDSA-N -1 3 399.455 0.914 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000736901617 598859593 /nfs/dbraw/zinc/85/95/93/598859593.db2.gz NBTDEWCNCTWWQN-MRXNPFEDSA-N -1 3 399.455 0.914 20 0 GCADHM CCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736706566 598861627 /nfs/dbraw/zinc/86/16/27/598861627.db2.gz UIKLVSBDFTVIOE-BBRMVZONSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736706566 598861629 /nfs/dbraw/zinc/86/16/29/598861629.db2.gz UIKLVSBDFTVIOE-BBRMVZONSA-N -1 3 382.428 0.839 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CC(=O)NCc1ccco1 ZINC000736901050 598862727 /nfs/dbraw/zinc/86/27/27/598862727.db2.gz HSKJWPBBWKGFOI-INIZCTEOSA-N -1 3 384.396 0.922 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CC(=O)NCc1ccco1 ZINC000736901050 598862728 /nfs/dbraw/zinc/86/27/28/598862728.db2.gz HSKJWPBBWKGFOI-INIZCTEOSA-N -1 3 384.396 0.922 20 0 GCADHM C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000736280717 598863097 /nfs/dbraw/zinc/86/30/97/598863097.db2.gz NYIOUKOUJRCHBP-SMDDNHRTSA-N -1 3 399.411 0.319 20 0 GCADHM C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000736280717 598863098 /nfs/dbraw/zinc/86/30/98/598863098.db2.gz NYIOUKOUJRCHBP-SMDDNHRTSA-N -1 3 399.411 0.319 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NCC(F)(F)F ZINC000737826169 598863369 /nfs/dbraw/zinc/86/33/69/598863369.db2.gz QXDYDMGUEXEBNF-JTQLQIEISA-N -1 3 397.317 0.750 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NCC(F)(F)F ZINC000737826169 598863370 /nfs/dbraw/zinc/86/33/70/598863370.db2.gz QXDYDMGUEXEBNF-JTQLQIEISA-N -1 3 397.317 0.750 20 0 GCADHM CNS(=O)(=O)C1CCN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736885117 598863697 /nfs/dbraw/zinc/86/36/97/598863697.db2.gz XGAMFFRCQBOKFK-CQSZACIVSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C1CCN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736885117 598863698 /nfs/dbraw/zinc/86/36/98/598863698.db2.gz XGAMFFRCQBOKFK-CQSZACIVSA-N -1 3 394.457 0.094 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)Nc1cn[nH]c1 ZINC000737827125 598867710 /nfs/dbraw/zinc/86/77/10/598867710.db2.gz WWFHBRJCOXRYCO-LBPRGKRZSA-N -1 3 381.356 0.434 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)Nc1cn[nH]c1 ZINC000737827125 598867711 /nfs/dbraw/zinc/86/77/11/598867711.db2.gz WWFHBRJCOXRYCO-LBPRGKRZSA-N -1 3 381.356 0.434 20 0 GCADHM O=C(NCCN1C(=O)CCC1=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738075516 598869350 /nfs/dbraw/zinc/86/93/50/598869350.db2.gz PIGHHEKIJLXMQP-CQSZACIVSA-N -1 3 383.412 0.101 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN(c2cnccn2)CC1 ZINC000738348747 598870149 /nfs/dbraw/zinc/87/01/49/598870149.db2.gz WMXIFJQJCXEQEZ-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN(c2cnccn2)CC1 ZINC000738348747 598870150 /nfs/dbraw/zinc/87/01/50/598870150.db2.gz WMXIFJQJCXEQEZ-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736822725 598870636 /nfs/dbraw/zinc/87/06/36/598870636.db2.gz RJUACJZHIICKQG-UHFFFAOYSA-N -1 3 390.400 0.925 20 0 GCADHM CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736822725 598870639 /nfs/dbraw/zinc/87/06/39/598870639.db2.gz RJUACJZHIICKQG-UHFFFAOYSA-N -1 3 390.400 0.925 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736480704 598872129 /nfs/dbraw/zinc/87/21/29/598872129.db2.gz LCDSGLZQFUIWOU-GFCCVEGCSA-N -1 3 396.448 0.933 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736480704 598872130 /nfs/dbraw/zinc/87/21/30/598872130.db2.gz LCDSGLZQFUIWOU-GFCCVEGCSA-N -1 3 396.448 0.933 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN(c2cccnn2)CC1 ZINC000738347557 598873754 /nfs/dbraw/zinc/87/37/54/598873754.db2.gz LQQRFCYIPHNBNM-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN(c2cccnn2)CC1 ZINC000738347557 598873755 /nfs/dbraw/zinc/87/37/55/598873755.db2.gz LQQRFCYIPHNBNM-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736909849 598875416 /nfs/dbraw/zinc/87/54/16/598875416.db2.gz RVUGNLKUCUXSPB-CYBMUJFWSA-N -1 3 377.426 0.831 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736909849 598875417 /nfs/dbraw/zinc/87/54/17/598875417.db2.gz RVUGNLKUCUXSPB-CYBMUJFWSA-N -1 3 377.426 0.831 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1ccc(OCC(N)=O)cc1 ZINC000737301152 598877271 /nfs/dbraw/zinc/87/72/71/598877271.db2.gz JMXPSHOHKXDXRS-UHFFFAOYSA-N -1 3 389.393 0.807 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1ccc(OCC(N)=O)cc1 ZINC000737301152 598877272 /nfs/dbraw/zinc/87/72/72/598877272.db2.gz JMXPSHOHKXDXRS-UHFFFAOYSA-N -1 3 389.393 0.807 20 0 GCADHM CC(=O)[C@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735458435 598877372 /nfs/dbraw/zinc/87/73/72/598877372.db2.gz NLVNATBXLYOSDM-GWCFXTLKSA-N -1 3 386.368 0.592 20 0 GCADHM CC(=O)[C@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735458435 598877374 /nfs/dbraw/zinc/87/73/74/598877374.db2.gz NLVNATBXLYOSDM-GWCFXTLKSA-N -1 3 386.368 0.592 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738330428 598877675 /nfs/dbraw/zinc/87/76/75/598877675.db2.gz NTQYYRYQBMQTEE-LLVKDONJSA-N -1 3 377.348 0.960 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738330428 598877676 /nfs/dbraw/zinc/87/76/76/598877676.db2.gz NTQYYRYQBMQTEE-LLVKDONJSA-N -1 3 377.348 0.960 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738330429 598877772 /nfs/dbraw/zinc/87/77/72/598877772.db2.gz NTQYYRYQBMQTEE-NSHDSACASA-N -1 3 377.348 0.960 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738330429 598877774 /nfs/dbraw/zinc/87/77/74/598877774.db2.gz NTQYYRYQBMQTEE-NSHDSACASA-N -1 3 377.348 0.960 20 0 GCADHM O=C(NCCN1C(=O)CCC1=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738302046 598880951 /nfs/dbraw/zinc/88/09/51/598880951.db2.gz TVFHZRVMYIDFIK-UHFFFAOYSA-N -1 3 383.412 0.690 20 0 GCADHM O=C(NCCN1C(=O)CCC1=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738302046 598880952 /nfs/dbraw/zinc/88/09/52/598880952.db2.gz TVFHZRVMYIDFIK-UHFFFAOYSA-N -1 3 383.412 0.690 20 0 GCADHM O=C(NCCN1C(=O)CCC1=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738074244 598881038 /nfs/dbraw/zinc/88/10/38/598881038.db2.gz AHFUXFFHCHWZKH-UHFFFAOYSA-N -1 3 395.326 0.739 20 0 GCADHM O=C(NCCN1C(=O)CCC1=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738074244 598881040 /nfs/dbraw/zinc/88/10/40/598881040.db2.gz AHFUXFFHCHWZKH-UHFFFAOYSA-N -1 3 395.326 0.739 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)CC2 ZINC000736905772 598881601 /nfs/dbraw/zinc/88/16/01/598881601.db2.gz CNNDCHLGSZDPJS-CYBMUJFWSA-N -1 3 398.423 0.915 20 0 GCADHM COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CC2 ZINC000736905772 598881604 /nfs/dbraw/zinc/88/16/04/598881604.db2.gz CNNDCHLGSZDPJS-CYBMUJFWSA-N -1 3 398.423 0.915 20 0 GCADHM COC(=O)[C@@H](Nc1ccn(CC(=O)N(C)C)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894389 598885899 /nfs/dbraw/zinc/88/58/99/598885899.db2.gz CMCJYYOPRMZGDP-HNNXBMFYSA-N -1 3 384.400 0.478 20 0 GCADHM COC(=O)[C@@H](Nc1ccn(CC(=O)N(C)C)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894389 598885900 /nfs/dbraw/zinc/88/59/00/598885900.db2.gz CMCJYYOPRMZGDP-HNNXBMFYSA-N -1 3 384.400 0.478 20 0 GCADHM O=C(CN1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1)Nc1nncs1 ZINC000737874644 598894027 /nfs/dbraw/zinc/89/40/27/598894027.db2.gz XEGWFAAZYXPZMW-UHFFFAOYSA-N -1 3 399.440 0.115 20 0 GCADHM O=C(CN1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1)Nc1nncs1 ZINC000737874644 598894028 /nfs/dbraw/zinc/89/40/28/598894028.db2.gz XEGWFAAZYXPZMW-UHFFFAOYSA-N -1 3 399.440 0.115 20 0 GCADHM CC(C)(CNC(=O)COc1ccccc1-c1nnn[n-]1)N1CCS(=O)CC1 ZINC000735666548 598894288 /nfs/dbraw/zinc/89/42/88/598894288.db2.gz ORPDYXLMDHDOPH-UHFFFAOYSA-N -1 3 392.485 0.205 20 0 GCADHM CC(C)(CNC(=O)COc1ccccc1-c1nn[n-]n1)N1CCS(=O)CC1 ZINC000735666548 598894290 /nfs/dbraw/zinc/89/42/90/598894290.db2.gz ORPDYXLMDHDOPH-UHFFFAOYSA-N -1 3 392.485 0.205 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CCCN(C(C)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897445 598895605 /nfs/dbraw/zinc/89/56/05/598895605.db2.gz MKMFZYKJQQNZCU-HUUCEWRRSA-N -1 3 387.396 0.883 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CCCN(C(C)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897445 598895607 /nfs/dbraw/zinc/89/56/07/598895607.db2.gz MKMFZYKJQQNZCU-HUUCEWRRSA-N -1 3 387.396 0.883 20 0 GCADHM COC(=O)[C@@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901295 598896715 /nfs/dbraw/zinc/89/67/15/598896715.db2.gz YZQFLKBJMGYKRK-YGRLFVJLSA-N -1 3 392.393 0.572 20 0 GCADHM COC(=O)[C@@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901295 598896717 /nfs/dbraw/zinc/89/67/17/598896717.db2.gz YZQFLKBJMGYKRK-YGRLFVJLSA-N -1 3 392.393 0.572 20 0 GCADHM COC(=O)[C@H](OC(=O)Cc1nc2ncccn2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899009 598897948 /nfs/dbraw/zinc/89/79/48/598897948.db2.gz MADRZSHTLJRLRI-CQSZACIVSA-N -1 3 394.351 0.304 20 0 GCADHM COC(=O)[C@H](OC(=O)Cc1nc2ncccn2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899009 598897950 /nfs/dbraw/zinc/89/79/50/598897950.db2.gz MADRZSHTLJRLRI-CQSZACIVSA-N -1 3 394.351 0.304 20 0 GCADHM COC(=O)[C@@H](OC(=O)CS(=O)(=O)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899496 598897994 /nfs/dbraw/zinc/89/79/94/598897994.db2.gz NHGLJUVPSDJXSF-ZDUSSCGKSA-N -1 3 382.398 0.447 20 0 GCADHM COC(=O)[C@@H](OC(=O)CS(=O)(=O)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899496 598897995 /nfs/dbraw/zinc/89/79/95/598897995.db2.gz NHGLJUVPSDJXSF-ZDUSSCGKSA-N -1 3 382.398 0.447 20 0 GCADHM CCCS(=O)(=O)CC(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736493417 598899038 /nfs/dbraw/zinc/89/90/38/598899038.db2.gz UQOWNELWWMSGGN-ZDUSSCGKSA-N -1 3 382.398 0.449 20 0 GCADHM CCCS(=O)(=O)CC(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736493417 598899039 /nfs/dbraw/zinc/89/90/39/598899039.db2.gz UQOWNELWWMSGGN-ZDUSSCGKSA-N -1 3 382.398 0.449 20 0 GCADHM CCCS(=O)(=O)CC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736493416 598899061 /nfs/dbraw/zinc/89/90/61/598899061.db2.gz UQOWNELWWMSGGN-CYBMUJFWSA-N -1 3 382.398 0.449 20 0 GCADHM CCCS(=O)(=O)CC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736493416 598899062 /nfs/dbraw/zinc/89/90/62/598899062.db2.gz UQOWNELWWMSGGN-CYBMUJFWSA-N -1 3 382.398 0.449 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736878009 598900722 /nfs/dbraw/zinc/90/07/22/598900722.db2.gz RJEZLVNSCYBEGG-CQSZACIVSA-N -1 3 396.363 0.692 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736878009 598900723 /nfs/dbraw/zinc/90/07/23/598900723.db2.gz RJEZLVNSCYBEGG-CQSZACIVSA-N -1 3 396.363 0.692 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000738143914 598910830 /nfs/dbraw/zinc/91/08/30/598910830.db2.gz GKLRQQJCRCKCIT-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000738143914 598910832 /nfs/dbraw/zinc/91/08/32/598910832.db2.gz GKLRQQJCRCKCIT-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM CC(C)(CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)CC1 ZINC000735667325 598911420 /nfs/dbraw/zinc/91/14/20/598911420.db2.gz YWPGUOSLTILZCD-UHFFFAOYSA-N -1 3 390.513 0.758 20 0 GCADHM CC(C)(CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)CC1 ZINC000735667325 598911421 /nfs/dbraw/zinc/91/14/21/598911421.db2.gz YWPGUOSLTILZCD-UHFFFAOYSA-N -1 3 390.513 0.758 20 0 GCADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nnn[n-]1)N1CCS(=O)CC1 ZINC000735665113 598911488 /nfs/dbraw/zinc/91/14/88/598911488.db2.gz CUSKXUBFGHELGD-BQYQJAHWSA-N -1 3 388.497 0.839 20 0 GCADHM CC(C)(CNC(=O)C=Cc1ccccc1-c1nn[n-]n1)N1CCS(=O)CC1 ZINC000735665113 598911490 /nfs/dbraw/zinc/91/14/90/598911490.db2.gz CUSKXUBFGHELGD-BQYQJAHWSA-N -1 3 388.497 0.839 20 0 GCADHM CC(C)(CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)CC1 ZINC000735670909 598911735 /nfs/dbraw/zinc/91/17/35/598911735.db2.gz XUEQDPLPPMYGCB-UHFFFAOYSA-N -1 3 376.486 0.368 20 0 GCADHM CC(C)(CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)CC1 ZINC000735670909 598911737 /nfs/dbraw/zinc/91/17/37/598911737.db2.gz XUEQDPLPPMYGCB-UHFFFAOYSA-N -1 3 376.486 0.368 20 0 GCADHM NC(=O)N1CC[C@@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000737760344 598911970 /nfs/dbraw/zinc/91/19/70/598911970.db2.gz ZWJXSGCJSUIZAI-GFCCVEGCSA-N -1 3 397.395 0.922 20 0 GCADHM Cc1nc(SCC(=O)N[C@H]2CCN(C(N)=O)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737485108 598912188 /nfs/dbraw/zinc/91/21/88/598912188.db2.gz ZTSQXLWXJHWWKI-NSHDSACASA-N -1 3 390.473 0.548 20 0 GCADHM Cc1nc(SCC(=O)N[C@H]2CCN(C(N)=O)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737485108 598912190 /nfs/dbraw/zinc/91/21/90/598912190.db2.gz ZTSQXLWXJHWWKI-NSHDSACASA-N -1 3 390.473 0.548 20 0 GCADHM C[C@@](O)(CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736144362 598921990 /nfs/dbraw/zinc/92/19/90/598921990.db2.gz YYAQXMAUUVMVOY-LJQANCHMSA-N -1 3 380.408 0.620 20 0 GCADHM C[C@@](O)(CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736144362 598921991 /nfs/dbraw/zinc/92/19/91/598921991.db2.gz YYAQXMAUUVMVOY-LJQANCHMSA-N -1 3 380.408 0.620 20 0 GCADHM COC(=O)NCCCC(=O)Nc1nc(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736938282 598924046 /nfs/dbraw/zinc/92/40/46/598924046.db2.gz SJUVBZUZTUOJAQ-UHFFFAOYSA-N -1 3 385.388 0.252 20 0 GCADHM COC(=O)c1ccc(CNC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)o1 ZINC000736947477 598928199 /nfs/dbraw/zinc/92/81/99/598928199.db2.gz LWFIVDJGLZJTGZ-UHFFFAOYSA-N -1 3 387.352 0.950 20 0 GCADHM COC(=O)c1ccc(CNC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)o1 ZINC000736947477 598928200 /nfs/dbraw/zinc/92/82/00/598928200.db2.gz LWFIVDJGLZJTGZ-UHFFFAOYSA-N -1 3 387.352 0.950 20 0 GCADHM O=C(CN1CCCNC1=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737873674 598931389 /nfs/dbraw/zinc/93/13/89/598931389.db2.gz NUWYNASMJYTCIS-UHFFFAOYSA-N -1 3 384.444 0.367 20 0 GCADHM O=C(CN1CCCNC1=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737873674 598931391 /nfs/dbraw/zinc/93/13/91/598931391.db2.gz NUWYNASMJYTCIS-UHFFFAOYSA-N -1 3 384.444 0.367 20 0 GCADHM Cc1nc(NC(=O)c2cccc(C(N)=O)c2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737482511 598932271 /nfs/dbraw/zinc/93/22/71/598932271.db2.gz NCJSKSUPWTUWPN-UHFFFAOYSA-N -1 3 389.379 0.529 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735538739 598934545 /nfs/dbraw/zinc/93/45/45/598934545.db2.gz YMMORJLAPHCQKV-GFCCVEGCSA-N -1 3 393.455 0.599 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000736165815 598944535 /nfs/dbraw/zinc/94/45/35/598944535.db2.gz WQHZYXAZKSMJRJ-NEPJUHHUSA-N -1 3 379.442 0.527 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000736165819 598944750 /nfs/dbraw/zinc/94/47/50/598944750.db2.gz WQHZYXAZKSMJRJ-RYUDHWBXSA-N -1 3 379.442 0.527 20 0 GCADHM O=S(=O)(NCCNc1ccc(-c2nnn[n-]2)cn1)c1c[nH]c2ncccc12 ZINC000738338862 598952331 /nfs/dbraw/zinc/95/23/31/598952331.db2.gz NNEGABDETJDQDH-UHFFFAOYSA-N -1 3 385.413 0.528 20 0 GCADHM O=S(=O)(NCCNc1ccc(-c2nn[n-]n2)cn1)c1c[nH]c2ncccc12 ZINC000738338862 598952332 /nfs/dbraw/zinc/95/23/32/598952332.db2.gz NNEGABDETJDQDH-UHFFFAOYSA-N -1 3 385.413 0.528 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000737297936 598954729 /nfs/dbraw/zinc/95/47/29/598954729.db2.gz GMOGAHHGMUQTPF-KRWDZBQOSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC000737297936 598954730 /nfs/dbraw/zinc/95/47/30/598954730.db2.gz GMOGAHHGMUQTPF-KRWDZBQOSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000737296748 598956067 /nfs/dbraw/zinc/95/60/67/598956067.db2.gz OAHRKJGXDGSPGI-CYBMUJFWSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000737296748 598956070 /nfs/dbraw/zinc/95/60/70/598956070.db2.gz OAHRKJGXDGSPGI-CYBMUJFWSA-N -1 3 379.442 0.949 20 0 GCADHM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736507185 598957323 /nfs/dbraw/zinc/95/73/23/598957323.db2.gz BKVJLDGAPQQDIV-NSHDSACASA-N -1 3 387.487 0.619 20 0 GCADHM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736507185 598957324 /nfs/dbraw/zinc/95/73/24/598957324.db2.gz BKVJLDGAPQQDIV-NSHDSACASA-N -1 3 387.487 0.619 20 0 GCADHM COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000736947402 598957609 /nfs/dbraw/zinc/95/76/09/598957609.db2.gz JKVUUWRGTHVIEV-UHFFFAOYSA-N -1 3 381.345 0.864 20 0 GCADHM COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000736947402 598957611 /nfs/dbraw/zinc/95/76/11/598957611.db2.gz JKVUUWRGTHVIEV-UHFFFAOYSA-N -1 3 381.345 0.864 20 0 GCADHM COC(=O)CCN(C[C@H]1CCCO1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736913669 598959737 /nfs/dbraw/zinc/95/97/37/598959737.db2.gz UXWXZDKXPAMFCV-CYBMUJFWSA-N -1 3 395.441 0.600 20 0 GCADHM COC(=O)CCN(C[C@H]1CCCO1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736913669 598959738 /nfs/dbraw/zinc/95/97/38/598959738.db2.gz UXWXZDKXPAMFCV-CYBMUJFWSA-N -1 3 395.441 0.600 20 0 GCADHM CNC(=O)COc1ccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736873893 598959852 /nfs/dbraw/zinc/95/98/52/598959852.db2.gz OAIHCMRRSGNOQF-UHFFFAOYSA-N -1 3 389.393 0.759 20 0 GCADHM CNC(=O)COc1ccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736873893 598959853 /nfs/dbraw/zinc/95/98/53/598959853.db2.gz OAIHCMRRSGNOQF-UHFFFAOYSA-N -1 3 389.393 0.759 20 0 GCADHM NC(=O)COc1ccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737753786 598960363 /nfs/dbraw/zinc/96/03/63/598960363.db2.gz QVLVVZOVWFCVRK-MRXNPFEDSA-N -1 3 393.407 0.948 20 0 GCADHM NC(=O)COc1ccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737753786 598960365 /nfs/dbraw/zinc/96/03/65/598960365.db2.gz QVLVVZOVWFCVRK-MRXNPFEDSA-N -1 3 393.407 0.948 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000736150590 598964272 /nfs/dbraw/zinc/96/42/72/598964272.db2.gz JUXHHEMDDXWBBB-YNEHKIRRSA-N -1 3 389.412 0.861 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000736150590 598964273 /nfs/dbraw/zinc/96/42/73/598964273.db2.gz JUXHHEMDDXWBBB-YNEHKIRRSA-N -1 3 389.412 0.861 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000735874466 598967838 /nfs/dbraw/zinc/96/78/38/598967838.db2.gz DZFWICLLESYLKI-OAHLLOKOSA-N -1 3 398.471 0.708 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000735874466 598967839 /nfs/dbraw/zinc/96/78/39/598967839.db2.gz DZFWICLLESYLKI-OAHLLOKOSA-N -1 3 398.471 0.708 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736748941 598968221 /nfs/dbraw/zinc/96/82/21/598968221.db2.gz ZVJVSOCAUPEYEQ-OCCSQVGLSA-N -1 3 385.428 0.568 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736748941 598968223 /nfs/dbraw/zinc/96/82/23/598968223.db2.gz ZVJVSOCAUPEYEQ-OCCSQVGLSA-N -1 3 385.428 0.568 20 0 GCADHM CNC(=O)COc1ccc(OC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736874376 598968469 /nfs/dbraw/zinc/96/84/69/598968469.db2.gz PKWYCXSRLGDOQV-UHFFFAOYSA-N -1 3 383.364 0.976 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCON=C(N)CN1CCOCC1 ZINC000737032061 598979521 /nfs/dbraw/zinc/97/95/21/598979521.db2.gz HEJTZCRXJZHQSM-UHFFFAOYSA-N -1 3 377.405 0.085 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCON=C(N)CN1CCOCC1 ZINC000737032061 598979523 /nfs/dbraw/zinc/97/95/23/598979523.db2.gz HEJTZCRXJZHQSM-UHFFFAOYSA-N -1 3 377.405 0.085 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000736786730 598993734 /nfs/dbraw/zinc/99/37/34/598993734.db2.gz CQFDOBJPGDCWGL-JTQLQIEISA-N -1 3 398.876 0.825 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000736786730 598993735 /nfs/dbraw/zinc/99/37/35/598993735.db2.gz CQFDOBJPGDCWGL-JTQLQIEISA-N -1 3 398.876 0.825 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC(=O)NCc1ccco1 ZINC000737223933 598996383 /nfs/dbraw/zinc/99/63/83/598996383.db2.gz LWVFCIBEGVVEED-UHFFFAOYSA-N -1 3 376.398 0.363 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC(=O)NCc1ccco1 ZINC000737223933 598996384 /nfs/dbraw/zinc/99/63/84/598996384.db2.gz LWVFCIBEGVVEED-UHFFFAOYSA-N -1 3 376.398 0.363 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000735459225 598999722 /nfs/dbraw/zinc/99/97/22/598999722.db2.gz YPRMLMLYPXBURH-UHFFFAOYSA-N -1 3 378.458 0.807 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000735459225 598999724 /nfs/dbraw/zinc/99/97/24/598999724.db2.gz YPRMLMLYPXBURH-UHFFFAOYSA-N -1 3 378.458 0.807 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736510175 599001489 /nfs/dbraw/zinc/00/14/89/599001489.db2.gz REPDVXHVPJVSDD-GFCCVEGCSA-N -1 3 396.498 0.717 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736510175 599001491 /nfs/dbraw/zinc/00/14/91/599001491.db2.gz REPDVXHVPJVSDD-GFCCVEGCSA-N -1 3 396.498 0.717 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000735476606 599001651 /nfs/dbraw/zinc/00/16/51/599001651.db2.gz YVPBTUONXZPPPK-CYBMUJFWSA-N -1 3 378.458 0.712 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000735476606 599001653 /nfs/dbraw/zinc/00/16/53/599001653.db2.gz YVPBTUONXZPPPK-CYBMUJFWSA-N -1 3 378.458 0.712 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736510176 599001669 /nfs/dbraw/zinc/00/16/69/599001669.db2.gz REPDVXHVPJVSDD-LBPRGKRZSA-N -1 3 396.498 0.717 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736510176 599001671 /nfs/dbraw/zinc/00/16/71/599001671.db2.gz REPDVXHVPJVSDD-LBPRGKRZSA-N -1 3 396.498 0.717 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000737223260 599001769 /nfs/dbraw/zinc/00/17/69/599001769.db2.gz CUIGWXOVPVDRRY-UHFFFAOYSA-N -1 3 378.458 0.902 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000737223260 599001770 /nfs/dbraw/zinc/00/17/70/599001770.db2.gz CUIGWXOVPVDRRY-UHFFFAOYSA-N -1 3 378.458 0.902 20 0 GCADHM COC(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000736934910 599002120 /nfs/dbraw/zinc/00/21/20/599002120.db2.gz FKHJJOZXADQDJI-LBPRGKRZSA-N -1 3 380.430 0.684 20 0 GCADHM COC(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000736934910 599002122 /nfs/dbraw/zinc/00/21/22/599002122.db2.gz FKHJJOZXADQDJI-LBPRGKRZSA-N -1 3 380.430 0.684 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000737221460 599004768 /nfs/dbraw/zinc/00/47/68/599004768.db2.gz MUKURSHRZQNMEJ-QWRGUYRKSA-N -1 3 387.487 0.617 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000737221460 599004770 /nfs/dbraw/zinc/00/47/70/599004770.db2.gz MUKURSHRZQNMEJ-QWRGUYRKSA-N -1 3 387.487 0.617 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCc1cnc(N(C)C)n1C ZINC000737223747 599005858 /nfs/dbraw/zinc/00/58/58/599005858.db2.gz DXSVCXPIQAKIJT-UHFFFAOYSA-N -1 3 376.446 0.453 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCc1cnc(N(C)C)n1C ZINC000737223747 599005860 /nfs/dbraw/zinc/00/58/60/599005860.db2.gz DXSVCXPIQAKIJT-UHFFFAOYSA-N -1 3 376.446 0.453 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000737224629 599007418 /nfs/dbraw/zinc/00/74/18/599007418.db2.gz YICSBHWWJXTMCA-QWRGUYRKSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000737224629 599007420 /nfs/dbraw/zinc/00/74/20/599007420.db2.gz YICSBHWWJXTMCA-QWRGUYRKSA-N -1 3 385.471 0.371 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000736772676 599008475 /nfs/dbraw/zinc/00/84/75/599008475.db2.gz GUQMYAKXMJVBFQ-UHFFFAOYSA-N -1 3 386.441 0.470 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000736772676 599008476 /nfs/dbraw/zinc/00/84/76/599008476.db2.gz GUQMYAKXMJVBFQ-UHFFFAOYSA-N -1 3 386.441 0.470 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NCCCOC[C@H]1CCOC1 ZINC000738331418 599008973 /nfs/dbraw/zinc/00/89/73/599008973.db2.gz SEAUYQZBNFABRM-CQSZACIVSA-N -1 3 381.458 0.729 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCCOC[C@H]1CCOC1 ZINC000738331418 599008974 /nfs/dbraw/zinc/00/89/74/599008974.db2.gz SEAUYQZBNFABRM-CQSZACIVSA-N -1 3 381.458 0.729 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736792268 599009888 /nfs/dbraw/zinc/00/98/88/599009888.db2.gz QKLVHJVTVZQEHP-SECBINFHSA-N -1 3 389.434 0.061 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736792268 599009890 /nfs/dbraw/zinc/00/98/90/599009890.db2.gz QKLVHJVTVZQEHP-SECBINFHSA-N -1 3 389.434 0.061 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000737776700 599014426 /nfs/dbraw/zinc/01/44/26/599014426.db2.gz QAUFYSSAOQEBNT-UHFFFAOYSA-N -1 3 383.340 0.525 20 0 GCADHM Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCC(=O)N2C)cn1 ZINC000265214186 599015274 /nfs/dbraw/zinc/01/52/74/599015274.db2.gz BNMCOMLAAQLHIB-DOTOQJQBSA-N -1 3 394.439 0.826 20 0 GCADHM Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCC(=O)N2C)cn1 ZINC000265214186 599015277 /nfs/dbraw/zinc/01/52/77/599015277.db2.gz BNMCOMLAAQLHIB-DOTOQJQBSA-N -1 3 394.439 0.826 20 0 GCADHM NC(=O)[C@H](Sc1nnnn1-c1ccc(O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739180 599012130 /nfs/dbraw/zinc/01/21/30/599012130.db2.gz JDHBOMQKXKXXJR-CYBMUJFWSA-N -1 3 395.408 0.867 20 0 GCADHM NC(=O)[C@H](Sc1nnnn1-c1ccc(O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739180 599012132 /nfs/dbraw/zinc/01/21/32/599012132.db2.gz JDHBOMQKXKXXJR-CYBMUJFWSA-N -1 3 395.408 0.867 20 0 GCADHM Cn1cc([C@H]2[C@@H](C(=O)NCc3cccc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000736844322 599015837 /nfs/dbraw/zinc/01/58/37/599015837.db2.gz VSOAJSOEBQMHJJ-RDJZCZTQSA-N -1 3 394.439 0.826 20 0 GCADHM Cn1cc([C@H]2[C@@H](C(=O)NCc3cccc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000736844322 599015838 /nfs/dbraw/zinc/01/58/38/599015838.db2.gz VSOAJSOEBQMHJJ-RDJZCZTQSA-N -1 3 394.439 0.826 20 0 GCADHM Cn1cc([C@@H]2[C@@H](C(=O)NCc3cccc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000736844320 599015866 /nfs/dbraw/zinc/01/58/66/599015866.db2.gz VSOAJSOEBQMHJJ-DOTOQJQBSA-N -1 3 394.439 0.826 20 0 GCADHM Cn1cc([C@@H]2[C@@H](C(=O)NCc3cccc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000736844320 599015868 /nfs/dbraw/zinc/01/58/68/599015868.db2.gz VSOAJSOEBQMHJJ-DOTOQJQBSA-N -1 3 394.439 0.826 20 0 GCADHM O=C(O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H](O)C1CCOCC1 ZINC000738216447 599017335 /nfs/dbraw/zinc/01/73/35/599017335.db2.gz ZYJWBDXDARRDGJ-CABCVRRESA-N -1 3 387.396 0.303 20 0 GCADHM O=C(O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H](O)C1CCOCC1 ZINC000738216447 599017336 /nfs/dbraw/zinc/01/73/36/599017336.db2.gz ZYJWBDXDARRDGJ-CABCVRRESA-N -1 3 387.396 0.303 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000735623627 599026254 /nfs/dbraw/zinc/02/62/54/599026254.db2.gz JMKMMAJEFMVTSO-JTQLQIEISA-N -1 3 392.420 0.446 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000735623627 599026256 /nfs/dbraw/zinc/02/62/56/599026256.db2.gz JMKMMAJEFMVTSO-JTQLQIEISA-N -1 3 392.420 0.446 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737163427 599029376 /nfs/dbraw/zinc/02/93/76/599029376.db2.gz VDXRPLJEZWXODH-UHFFFAOYSA-N -1 3 390.429 0.158 20 0 GCADHM CN(C)C(=O)CN1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736745934 599039098 /nfs/dbraw/zinc/03/90/98/599039098.db2.gz DERPSHMIKDOMBD-UHFFFAOYSA-N -1 3 384.366 0.491 20 0 GCADHM CN(C)C(=O)CN1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736745934 599039101 /nfs/dbraw/zinc/03/91/01/599039101.db2.gz DERPSHMIKDOMBD-UHFFFAOYSA-N -1 3 384.366 0.491 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000737162411 599039084 /nfs/dbraw/zinc/03/90/84/599039084.db2.gz KEOZOORWRPTJFD-SREVYHEPSA-N -1 3 387.425 0.760 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000737162411 599039087 /nfs/dbraw/zinc/03/90/87/599039087.db2.gz KEOZOORWRPTJFD-SREVYHEPSA-N -1 3 387.425 0.760 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737163525 599039129 /nfs/dbraw/zinc/03/91/29/599039129.db2.gz XMHDZMZFJKXALH-UHFFFAOYSA-N -1 3 391.413 0.125 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737163525 599039131 /nfs/dbraw/zinc/03/91/31/599039131.db2.gz XMHDZMZFJKXALH-UHFFFAOYSA-N -1 3 391.413 0.125 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736594853 599041943 /nfs/dbraw/zinc/04/19/43/599041943.db2.gz TVQJCOGWLGOMOJ-CYBMUJFWSA-N -1 3 377.426 0.749 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736594853 599041946 /nfs/dbraw/zinc/04/19/46/599041946.db2.gz TVQJCOGWLGOMOJ-CYBMUJFWSA-N -1 3 377.426 0.749 20 0 GCADHM O=S1(=O)CCN(CCNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000738359504 599044854 /nfs/dbraw/zinc/04/48/54/599044854.db2.gz SIMZYGZYBOBGSQ-UHFFFAOYSA-N -1 3 391.379 0.423 20 0 GCADHM O=S1(=O)CCN(CCNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000738359504 599044859 /nfs/dbraw/zinc/04/48/59/599044859.db2.gz SIMZYGZYBOBGSQ-UHFFFAOYSA-N -1 3 391.379 0.423 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736612334 599048340 /nfs/dbraw/zinc/04/83/40/599048340.db2.gz NZOWSBYKEYWRDY-BZUAXINKSA-N -1 3 386.456 0.645 20 0 GCADHM CCOC(=O)[C@H]1CN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CCO1 ZINC000736595861 599049211 /nfs/dbraw/zinc/04/92/11/599049211.db2.gz XWQYAJUROIIRCT-LLVKDONJSA-N -1 3 380.430 0.521 20 0 GCADHM CCOC(=O)[C@H]1CN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CCO1 ZINC000736595861 599049213 /nfs/dbraw/zinc/04/92/13/599049213.db2.gz XWQYAJUROIIRCT-LLVKDONJSA-N -1 3 380.430 0.521 20 0 GCADHM COCC(=O)N[C@H](C(=O)O[C@H](C)COc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736965287 599061498 /nfs/dbraw/zinc/06/14/98/599061498.db2.gz BEVOYDQVMRWFNB-WBMJQRKESA-N -1 3 391.428 0.964 20 0 GCADHM COCC(=O)N[C@H](C(=O)O[C@H](C)COc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736965287 599061502 /nfs/dbraw/zinc/06/15/02/599061502.db2.gz BEVOYDQVMRWFNB-WBMJQRKESA-N -1 3 391.428 0.964 20 0 GCADHM Cc1csc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737451912 599067994 /nfs/dbraw/zinc/06/79/94/599067994.db2.gz GBIBWNIKIXLEMN-CQSZACIVSA-N -1 3 384.469 0.980 20 0 GCADHM Cc1csc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737451912 599067997 /nfs/dbraw/zinc/06/79/97/599067997.db2.gz GBIBWNIKIXLEMN-CQSZACIVSA-N -1 3 384.469 0.980 20 0 GCADHM Cc1cc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000737262333 599068038 /nfs/dbraw/zinc/06/80/38/599068038.db2.gz LUTDVSXPPAEFOK-INIZCTEOSA-N -1 3 382.428 0.507 20 0 GCADHM Cc1cc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737262333 599068040 /nfs/dbraw/zinc/06/80/40/599068040.db2.gz LUTDVSXPPAEFOK-INIZCTEOSA-N -1 3 382.428 0.507 20 0 GCADHM CC(C)c1nc([C@H]2CN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)no1 ZINC000735939962 599072285 /nfs/dbraw/zinc/07/22/85/599072285.db2.gz MPCMVTUIAYNTCI-ZIAGYGMSSA-N -1 3 398.427 0.973 20 0 GCADHM CC(C)c1nc([C@H]2CN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)no1 ZINC000735939962 599072288 /nfs/dbraw/zinc/07/22/88/599072288.db2.gz MPCMVTUIAYNTCI-ZIAGYGMSSA-N -1 3 398.427 0.973 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)c2ccsc2)CC1 ZINC000737741495 599071630 /nfs/dbraw/zinc/07/16/30/599071630.db2.gz XWRYYKVBJBBDNI-OAHLLOKOSA-N -1 3 397.464 0.913 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)c2ccsc2)CC1 ZINC000737741495 599071632 /nfs/dbraw/zinc/07/16/32/599071632.db2.gz XWRYYKVBJBBDNI-OAHLLOKOSA-N -1 3 397.464 0.913 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](OCCO)C2)c(-c2nnn[n-]2)c1C ZINC000737548912 599077836 /nfs/dbraw/zinc/07/78/36/599077836.db2.gz QMVLAZJPKZXUQK-WCQYABFASA-N -1 3 378.433 0.877 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](OCCO)C2)c(-c2nn[n-]n2)c1C ZINC000737548912 599077838 /nfs/dbraw/zinc/07/78/38/599077838.db2.gz QMVLAZJPKZXUQK-WCQYABFASA-N -1 3 378.433 0.877 20 0 GCADHM CS(=O)(=O)Nc1ccc(N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737169306 599089125 /nfs/dbraw/zinc/08/91/25/599089125.db2.gz RWNVXMCKUVZIIS-AWEZNQCLSA-N -1 3 387.425 0.877 20 0 GCADHM CS(=O)(=O)Nc1ccc(N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737169306 599089128 /nfs/dbraw/zinc/08/91/28/599089128.db2.gz RWNVXMCKUVZIIS-AWEZNQCLSA-N -1 3 387.425 0.877 20 0 GCADHM Cc1ccc(C(=O)NCCN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737313181 599089144 /nfs/dbraw/zinc/08/91/44/599089144.db2.gz QXMKTAQWEABRKY-INIZCTEOSA-N -1 3 397.414 0.860 20 0 GCADHM CCNC(=O)c1cccc(CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736578460 599090708 /nfs/dbraw/zinc/09/07/08/599090708.db2.gz VXMGLQMXZUXZCL-MRXNPFEDSA-N -1 3 379.424 0.933 20 0 GCADHM CCNC(=O)c1cccc(CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736578460 599090710 /nfs/dbraw/zinc/09/07/10/599090710.db2.gz VXMGLQMXZUXZCL-MRXNPFEDSA-N -1 3 379.424 0.933 20 0 GCADHM CN(Cc1ccccc1)C(=O)CN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736829155 599093138 /nfs/dbraw/zinc/09/31/38/599093138.db2.gz ZEEKYGFBWCIENU-KRWDZBQOSA-N -1 3 379.424 0.641 20 0 GCADHM CN(Cc1ccccc1)C(=O)CN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736829155 599093141 /nfs/dbraw/zinc/09/31/41/599093141.db2.gz ZEEKYGFBWCIENU-KRWDZBQOSA-N -1 3 379.424 0.641 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737007801 599094180 /nfs/dbraw/zinc/09/41/80/599094180.db2.gz XVCXHASGAOUMMS-UHFFFAOYSA-N -1 3 398.427 0.397 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737007801 599094182 /nfs/dbraw/zinc/09/41/82/599094182.db2.gz XVCXHASGAOUMMS-UHFFFAOYSA-N -1 3 398.427 0.397 20 0 GCADHM NC(=O)[C@@H](NCCNC(=O)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737734810 599094224 /nfs/dbraw/zinc/09/42/24/599094224.db2.gz BMVZSEYDXKPADP-HNNXBMFYSA-N -1 3 383.387 0.552 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000737610737 599094685 /nfs/dbraw/zinc/09/46/85/599094685.db2.gz QIWQIIDNGDXOTG-AWEZNQCLSA-N -1 3 382.428 0.764 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)COc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000737610272 599094740 /nfs/dbraw/zinc/09/47/40/599094740.db2.gz MCMACOFFOOZMJS-AWEZNQCLSA-N -1 3 382.428 0.764 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)COc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000737610272 599094743 /nfs/dbraw/zinc/09/47/43/599094743.db2.gz MCMACOFFOOZMJS-AWEZNQCLSA-N -1 3 382.428 0.764 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1 ZINC000737776626 599100734 /nfs/dbraw/zinc/10/07/34/599100734.db2.gz MYLLNNYNPGTICZ-RISCZKNCSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1 ZINC000737776626 599100737 /nfs/dbraw/zinc/10/07/37/599100737.db2.gz MYLLNNYNPGTICZ-RISCZKNCSA-N -1 3 382.428 0.916 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCc3nn(C)c(=O)cc3C2)c(-c2nnn[n-]2)c1C ZINC000822542190 599103599 /nfs/dbraw/zinc/10/35/99/599103599.db2.gz UUWQREZHCVZFMU-JTQLQIEISA-N -1 3 398.427 0.556 20 0 GCADHM COC[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCO1 ZINC000736977024 599105370 /nfs/dbraw/zinc/10/53/70/599105370.db2.gz UHFGEWUOQHUAIB-ZDUSSCGKSA-N -1 3 384.400 0.122 20 0 GCADHM COC[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCO1 ZINC000736977024 599105373 /nfs/dbraw/zinc/10/53/73/599105373.db2.gz UHFGEWUOQHUAIB-ZDUSSCGKSA-N -1 3 384.400 0.122 20 0 GCADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736194231 599108907 /nfs/dbraw/zinc/10/89/07/599108907.db2.gz YFRAQBSGCOOERO-QWRGUYRKSA-N -1 3 381.483 0.993 20 0 GCADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736194231 599108910 /nfs/dbraw/zinc/10/89/10/599108910.db2.gz YFRAQBSGCOOERO-QWRGUYRKSA-N -1 3 381.483 0.993 20 0 GCADHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736194232 599109267 /nfs/dbraw/zinc/10/92/67/599109267.db2.gz YFRAQBSGCOOERO-WDEREUQCSA-N -1 3 381.483 0.993 20 0 GCADHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736194232 599109268 /nfs/dbraw/zinc/10/92/68/599109268.db2.gz YFRAQBSGCOOERO-WDEREUQCSA-N -1 3 381.483 0.993 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740139 599114075 /nfs/dbraw/zinc/11/40/75/599114075.db2.gz MLSBFDSNIGMFNL-OAHLLOKOSA-N -1 3 394.347 0.581 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740139 599114077 /nfs/dbraw/zinc/11/40/77/599114077.db2.gz MLSBFDSNIGMFNL-OAHLLOKOSA-N -1 3 394.347 0.581 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738070 599114562 /nfs/dbraw/zinc/11/45/62/599114562.db2.gz CKCJFFLXRYSVEI-HNNXBMFYSA-N -1 3 394.347 0.581 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738070 599114565 /nfs/dbraw/zinc/11/45/65/599114565.db2.gz CKCJFFLXRYSVEI-HNNXBMFYSA-N -1 3 394.347 0.581 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737744161 599117024 /nfs/dbraw/zinc/11/70/24/599117024.db2.gz UXVZFUIUUCIDFK-AWEZNQCLSA-N -1 3 391.351 0.226 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737744161 599117027 /nfs/dbraw/zinc/11/70/27/599117027.db2.gz UXVZFUIUUCIDFK-AWEZNQCLSA-N -1 3 391.351 0.226 20 0 GCADHM CC[C@H](C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)N1CCCC1=O ZINC000736311593 599117530 /nfs/dbraw/zinc/11/75/30/599117530.db2.gz AIVWEIOGTLXPRY-CQSZACIVSA-N -1 3 384.444 0.311 20 0 GCADHM CC[C@H](C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)N1CCCC1=O ZINC000736311593 599117531 /nfs/dbraw/zinc/11/75/31/599117531.db2.gz AIVWEIOGTLXPRY-CQSZACIVSA-N -1 3 384.444 0.311 20 0 GCADHM CN(C)S(=O)(=O)CCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821588498 599118690 /nfs/dbraw/zinc/11/86/90/599118690.db2.gz VXWDZYYVMJSEMV-UHFFFAOYSA-N -1 3 377.423 0.061 20 0 GCADHM CN(C)S(=O)(=O)CCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821588498 599118693 /nfs/dbraw/zinc/11/86/93/599118693.db2.gz VXWDZYYVMJSEMV-UHFFFAOYSA-N -1 3 377.423 0.061 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738073 599121138 /nfs/dbraw/zinc/12/11/38/599121138.db2.gz CLUMHMVCYAUPDR-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738073 599121139 /nfs/dbraw/zinc/12/11/39/599121139.db2.gz CLUMHMVCYAUPDR-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cc2c([nH]c1=O)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743099 599121280 /nfs/dbraw/zinc/12/12/80/599121280.db2.gz SVFXRLBTDGJYGH-CQSZACIVSA-N -1 3 380.364 0.839 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cc2c([nH]c1=O)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743099 599121281 /nfs/dbraw/zinc/12/12/81/599121281.db2.gz SVFXRLBTDGJYGH-CQSZACIVSA-N -1 3 380.364 0.839 20 0 GCADHM Cc1sc(=O)n(CC(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737564720 599122992 /nfs/dbraw/zinc/12/29/92/599122992.db2.gz WZRGRLFQQFWJMK-CYBMUJFWSA-N -1 3 388.409 0.477 20 0 GCADHM Cc1sc(=O)n(CC(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737564720 599122994 /nfs/dbraw/zinc/12/29/94/599122994.db2.gz WZRGRLFQQFWJMK-CYBMUJFWSA-N -1 3 388.409 0.477 20 0 GCADHM Cc1occc1C(=O)NCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737556727 599123275 /nfs/dbraw/zinc/12/32/75/599123275.db2.gz NLKQRXQMZGVSGE-CQSZACIVSA-N -1 3 384.352 0.268 20 0 GCADHM Cc1occc1C(=O)NCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737556727 599123277 /nfs/dbraw/zinc/12/32/77/599123277.db2.gz NLKQRXQMZGVSGE-CQSZACIVSA-N -1 3 384.352 0.268 20 0 GCADHM Cc1cc2nc(C)cc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)n2n1 ZINC000737238011 599123291 /nfs/dbraw/zinc/12/32/91/599123291.db2.gz GXEUTHXACSGJCS-HNNXBMFYSA-N -1 3 392.379 0.910 20 0 GCADHM Cc1cc2nc(C)cc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)n2n1 ZINC000737238011 599123293 /nfs/dbraw/zinc/12/32/93/599123293.db2.gz GXEUTHXACSGJCS-HNNXBMFYSA-N -1 3 392.379 0.910 20 0 GCADHM Cn1c2ccc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cc2[nH]c1=O ZINC000737588052 599123333 /nfs/dbraw/zinc/12/33/33/599123333.db2.gz DWRCIYAIZDQUNQ-CQSZACIVSA-N -1 3 393.363 0.842 20 0 GCADHM Cn1c2ccc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cc2[nH]c1=O ZINC000737588052 599123336 /nfs/dbraw/zinc/12/33/36/599123336.db2.gz DWRCIYAIZDQUNQ-CQSZACIVSA-N -1 3 393.363 0.842 20 0 GCADHM NC(=O)[C@H](OC(=O)CCn1cc(Cl)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739327 599123757 /nfs/dbraw/zinc/12/37/57/599123757.db2.gz YGCGLDRRSCBSEH-CYBMUJFWSA-N -1 3 375.776 0.877 20 0 GCADHM NC(=O)[C@H](OC(=O)CCn1cc(Cl)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739327 599123759 /nfs/dbraw/zinc/12/37/59/599123759.db2.gz YGCGLDRRSCBSEH-CYBMUJFWSA-N -1 3 375.776 0.877 20 0 GCADHM NC(=O)[C@H](OC(=O)Cc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738598 599124263 /nfs/dbraw/zinc/12/42/63/599124263.db2.gz GUPKCLAELVGKSH-MRXNPFEDSA-N -1 3 381.348 0.908 20 0 GCADHM NC(=O)[C@H](OC(=O)Cc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738598 599124265 /nfs/dbraw/zinc/12/42/65/599124265.db2.gz GUPKCLAELVGKSH-MRXNPFEDSA-N -1 3 381.348 0.908 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114856 599124650 /nfs/dbraw/zinc/12/46/50/599124650.db2.gz CXNDJJIJSGBZGZ-JOYOIKCWSA-N -1 3 390.400 0.850 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114856 599124652 /nfs/dbraw/zinc/12/46/52/599124652.db2.gz CXNDJJIJSGBZGZ-JOYOIKCWSA-N -1 3 390.400 0.850 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736877929 599127604 /nfs/dbraw/zinc/12/76/04/599127604.db2.gz QQLZTSFXQBEINA-ZDUSSCGKSA-N -1 3 381.352 0.005 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736877929 599127607 /nfs/dbraw/zinc/12/76/07/599127607.db2.gz QQLZTSFXQBEINA-ZDUSSCGKSA-N -1 3 381.352 0.005 20 0 GCADHM Cn1ncc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1C(F)F ZINC000737621377 599127724 /nfs/dbraw/zinc/12/77/24/599127724.db2.gz FKTLYEDJTMBKGY-LLVKDONJSA-N -1 3 377.311 0.921 20 0 GCADHM Cn1ncc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC000737621377 599127726 /nfs/dbraw/zinc/12/77/26/599127726.db2.gz FKTLYEDJTMBKGY-LLVKDONJSA-N -1 3 377.311 0.921 20 0 GCADHM Cn1cc(S(=O)(=O)NCCSc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000822685403 599128471 /nfs/dbraw/zinc/12/84/71/599128471.db2.gz YVCUOZYNMWUMFG-UHFFFAOYSA-N -1 3 383.434 0.810 20 0 GCADHM Cn1cc(S(=O)(=O)NCCSc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000822685403 599128474 /nfs/dbraw/zinc/12/84/74/599128474.db2.gz YVCUOZYNMWUMFG-UHFFFAOYSA-N -1 3 383.434 0.810 20 0 GCADHM NC(=O)[C@@H](OC(=O)Cn1ncc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739192 599128674 /nfs/dbraw/zinc/12/86/74/599128674.db2.gz JEHWQPMNMKHGRV-INIZCTEOSA-N -1 3 377.364 0.986 20 0 GCADHM NC(=O)[C@@H](OC(=O)Cn1ncc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739192 599128675 /nfs/dbraw/zinc/12/86/75/599128675.db2.gz JEHWQPMNMKHGRV-INIZCTEOSA-N -1 3 377.364 0.986 20 0 GCADHM CN(C)C(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736754516 599127067 /nfs/dbraw/zinc/12/70/67/599127067.db2.gz XOXCZQSNGDDZTP-OAHLLOKOSA-N -1 3 394.391 0.952 20 0 GCADHM CN(C)C(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736754516 599127070 /nfs/dbraw/zinc/12/70/70/599127070.db2.gz XOXCZQSNGDDZTP-OAHLLOKOSA-N -1 3 394.391 0.952 20 0 GCADHM COc1ccc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1-c1nnn[n-]1 ZINC000737082916 599153546 /nfs/dbraw/zinc/15/35/46/599153546.db2.gz MJLHRSGLPCNFHO-UHFFFAOYSA-N -1 3 385.449 0.850 20 0 GCADHM COc1ccc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1-c1nn[n-]n1 ZINC000737082916 599153548 /nfs/dbraw/zinc/15/35/48/599153548.db2.gz MJLHRSGLPCNFHO-UHFFFAOYSA-N -1 3 385.449 0.850 20 0 GCADHM CCOC(=O)C[C@H](C)[S@@](=O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736592246 599155697 /nfs/dbraw/zinc/15/56/97/599155697.db2.gz BFOZEUHXZVLGNW-LJZMDLFKSA-N -1 3 379.442 0.573 20 0 GCADHM CCOC(=O)CCS(=O)(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736594482 599156442 /nfs/dbraw/zinc/15/64/42/599156442.db2.gz AQFXDLWRQYESFH-UHFFFAOYSA-N -1 3 397.457 0.598 20 0 GCADHM CCOC(=O)CCS(=O)(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736594482 599156443 /nfs/dbraw/zinc/15/64/43/599156443.db2.gz AQFXDLWRQYESFH-UHFFFAOYSA-N -1 3 397.457 0.598 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737753147 599156825 /nfs/dbraw/zinc/15/68/25/599156825.db2.gz MTFBGNFCTZATOB-CMDGGOBGSA-N -1 3 392.375 0.701 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737753147 599156827 /nfs/dbraw/zinc/15/68/27/599156827.db2.gz MTFBGNFCTZATOB-CMDGGOBGSA-N -1 3 392.375 0.701 20 0 GCADHM Cc1nnc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)n(N)c1=O ZINC000737532889 599160576 /nfs/dbraw/zinc/16/05/76/599160576.db2.gz MJFGAEWZSPXIFY-UHFFFAOYSA-N -1 3 384.385 0.183 20 0 GCADHM Cc1nnc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)n(N)c1=O ZINC000737532889 599160578 /nfs/dbraw/zinc/16/05/78/599160578.db2.gz MJFGAEWZSPXIFY-UHFFFAOYSA-N -1 3 384.385 0.183 20 0 GCADHM O=C(Cn1nnc(-c2ccccc2)n1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823136261 599162739 /nfs/dbraw/zinc/16/27/39/599162739.db2.gz RBFFHLUGTOLEOJ-UHFFFAOYSA-N -1 3 379.359 0.976 20 0 GCADHM O=C(Cn1nnc(-c2ccccc2)n1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823136261 599162742 /nfs/dbraw/zinc/16/27/42/599162742.db2.gz RBFFHLUGTOLEOJ-UHFFFAOYSA-N -1 3 379.359 0.976 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)n1cccn1 ZINC000819857225 599165243 /nfs/dbraw/zinc/16/52/43/599165243.db2.gz PLFLJVJRNTUINY-NSHDSACASA-N -1 3 386.391 0.538 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)n1cccn1 ZINC000819857225 599165244 /nfs/dbraw/zinc/16/52/44/599165244.db2.gz PLFLJVJRNTUINY-NSHDSACASA-N -1 3 386.391 0.538 20 0 GCADHM CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000736842751 599166219 /nfs/dbraw/zinc/16/62/19/599166219.db2.gz WOUZVQWQYMAITI-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000736842751 599166222 /nfs/dbraw/zinc/16/62/22/599166222.db2.gz WOUZVQWQYMAITI-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822267445 599173379 /nfs/dbraw/zinc/17/33/79/599173379.db2.gz UCLNRKYJDXVRFR-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM Cc1ccc(S(N)(=O)=O)cc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822267445 599173381 /nfs/dbraw/zinc/17/33/81/599173381.db2.gz UCLNRKYJDXVRFR-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM CCN1CCO[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736567969 599178572 /nfs/dbraw/zinc/17/85/72/599178572.db2.gz IERKPEUUYWHJCX-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM CCN1CCO[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736567969 599178574 /nfs/dbraw/zinc/17/85/74/599178574.db2.gz IERKPEUUYWHJCX-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM CCC1(CC)NC(=O)N(CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC000820956723 599181036 /nfs/dbraw/zinc/18/10/36/599181036.db2.gz KBDGWZIRFNTROT-UHFFFAOYSA-N -1 3 389.391 0.733 20 0 GCADHM CCC1(CC)NC(=O)N(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC000820956723 599181038 /nfs/dbraw/zinc/18/10/38/599181038.db2.gz KBDGWZIRFNTROT-UHFFFAOYSA-N -1 3 389.391 0.733 20 0 GCADHM O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823054584 599181763 /nfs/dbraw/zinc/18/17/63/599181763.db2.gz AZYCONMEXRCFIE-NSHDSACASA-N -1 3 385.446 0.542 20 0 GCADHM O=C(CS[C@H]1CCS(=O)(=O)C1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823054584 599181765 /nfs/dbraw/zinc/18/17/65/599181765.db2.gz AZYCONMEXRCFIE-NSHDSACASA-N -1 3 385.446 0.542 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000821440699 599183410 /nfs/dbraw/zinc/18/34/10/599183410.db2.gz AOWDNZNHPTZBQJ-LBPRGKRZSA-N -1 3 396.448 0.684 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000821440699 599183411 /nfs/dbraw/zinc/18/34/11/599183411.db2.gz AOWDNZNHPTZBQJ-LBPRGKRZSA-N -1 3 396.448 0.684 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000822869476 599188682 /nfs/dbraw/zinc/18/86/82/599188682.db2.gz WYRCSLGAOYKDAE-UHFFFAOYSA-N -1 3 382.380 0.426 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000822869476 599188684 /nfs/dbraw/zinc/18/86/84/599188684.db2.gz WYRCSLGAOYKDAE-UHFFFAOYSA-N -1 3 382.380 0.426 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000820542705 599187575 /nfs/dbraw/zinc/18/75/75/599187575.db2.gz QUSPFRSHYFBMHX-LBPRGKRZSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000820542705 599187577 /nfs/dbraw/zinc/18/75/77/599187577.db2.gz QUSPFRSHYFBMHX-LBPRGKRZSA-N -1 3 396.407 0.815 20 0 GCADHM Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2)cn1 ZINC000737603016 599191320 /nfs/dbraw/zinc/19/13/20/599191320.db2.gz AEUWLGSOTKLDRT-JTQLQIEISA-N -1 3 384.375 0.694 20 0 GCADHM Cn1cc([C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2)cn1 ZINC000737603016 599191323 /nfs/dbraw/zinc/19/13/23/599191323.db2.gz AEUWLGSOTKLDRT-JTQLQIEISA-N -1 3 384.375 0.694 20 0 GCADHM CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509045 599194264 /nfs/dbraw/zinc/19/42/64/599194264.db2.gz RAYUBZBPSFUCOH-LLVKDONJSA-N -1 3 383.412 0.487 20 0 GCADHM CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509045 599194268 /nfs/dbraw/zinc/19/42/68/599194268.db2.gz RAYUBZBPSFUCOH-LLVKDONJSA-N -1 3 383.412 0.487 20 0 GCADHM CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509047 599194402 /nfs/dbraw/zinc/19/44/02/599194402.db2.gz RAYUBZBPSFUCOH-NSHDSACASA-N -1 3 383.412 0.487 20 0 GCADHM CCN(C(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509047 599194405 /nfs/dbraw/zinc/19/44/05/599194405.db2.gz RAYUBZBPSFUCOH-NSHDSACASA-N -1 3 383.412 0.487 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735905623 599194864 /nfs/dbraw/zinc/19/48/64/599194864.db2.gz MECOLTJAIHQZOJ-UHFFFAOYSA-N -1 3 385.384 0.304 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735905623 599194866 /nfs/dbraw/zinc/19/48/66/599194866.db2.gz MECOLTJAIHQZOJ-UHFFFAOYSA-N -1 3 385.384 0.304 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000737165134 599208646 /nfs/dbraw/zinc/20/86/46/599208646.db2.gz GJUSFVABQPZGSM-SNVBAGLBSA-N -1 3 399.864 0.082 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000737165134 599208647 /nfs/dbraw/zinc/20/86/47/599208647.db2.gz GJUSFVABQPZGSM-SNVBAGLBSA-N -1 3 399.864 0.082 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](NS(C)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000737549506 599209536 /nfs/dbraw/zinc/20/95/36/599209536.db2.gz WCICWPCOZIDVLN-KOLCDFICSA-N -1 3 397.461 0.027 20 0 GCADHM NC(=O)c1ccc(OCC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737760796 599213016 /nfs/dbraw/zinc/21/30/16/599213016.db2.gz LJCHEMTTXGRYKW-UHFFFAOYSA-N -1 3 382.380 0.540 20 0 GCADHM O=C(Cn1ncc2ccccc2c1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737985648 599213196 /nfs/dbraw/zinc/21/31/96/599213196.db2.gz OEMYFLNUJCDWLU-UHFFFAOYSA-N -1 3 391.391 0.772 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822207094 599216053 /nfs/dbraw/zinc/21/60/53/599216053.db2.gz KNOHOKUHMJDBOS-AWEZNQCLSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822207094 599216056 /nfs/dbraw/zinc/21/60/56/599216056.db2.gz KNOHOKUHMJDBOS-AWEZNQCLSA-N -1 3 380.412 0.834 20 0 GCADHM O=C(COC(=O)CCCn1ccccc1=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737905651 599217361 /nfs/dbraw/zinc/21/73/61/599217361.db2.gz SZTQNOTXKCKZSP-UHFFFAOYSA-N -1 3 396.407 0.668 20 0 GCADHM O=C(COC(=O)CCCn1ccccc1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737905651 599217365 /nfs/dbraw/zinc/21/73/65/599217365.db2.gz SZTQNOTXKCKZSP-UHFFFAOYSA-N -1 3 396.407 0.668 20 0 GCADHM Cn1nnnc1SCCC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737629068 599217949 /nfs/dbraw/zinc/21/79/49/599217949.db2.gz ZWATVWYHBSHJQJ-UHFFFAOYSA-N -1 3 375.418 0.068 20 0 GCADHM COC(=O)CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000821661760 599221169 /nfs/dbraw/zinc/22/11/69/599221169.db2.gz XCXPOUKYCZVNCU-UHFFFAOYSA-N -1 3 388.428 0.849 20 0 GCADHM O=C(Cn1ccc(NC(=O)c2sccc2-c2nnn[n-]2)n1)N1CCOCC1 ZINC000738195128 599225596 /nfs/dbraw/zinc/22/55/96/599225596.db2.gz HFIHHIPZZKLQRJ-UHFFFAOYSA-N -1 3 388.413 0.236 20 0 GCADHM O=C(Cn1ccc(NC(=O)c2sccc2-c2nn[n-]n2)n1)N1CCOCC1 ZINC000738195128 599225598 /nfs/dbraw/zinc/22/55/98/599225598.db2.gz HFIHHIPZZKLQRJ-UHFFFAOYSA-N -1 3 388.413 0.236 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000532865767 596902142 /nfs/dbraw/zinc/90/21/42/596902142.db2.gz IBWGMONDUAETJY-UHFFFAOYSA-N -1 3 376.413 0.227 20 0 GCADHM O=C(Cn1ccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)n1)N1CCOCC1 ZINC000737987033 599232514 /nfs/dbraw/zinc/23/25/14/599232514.db2.gz PCAZQEGTEOJNBF-UHFFFAOYSA-N -1 3 389.807 0.714 20 0 GCADHM O=C(Cn1ccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)n1)N1CCOCC1 ZINC000737987033 599232515 /nfs/dbraw/zinc/23/25/15/599232515.db2.gz PCAZQEGTEOJNBF-UHFFFAOYSA-N -1 3 389.807 0.714 20 0 GCADHM COC(=O)Cc1csc(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821663537 599232856 /nfs/dbraw/zinc/23/28/56/599232856.db2.gz BKBARGRIUUODRZ-UHFFFAOYSA-N -1 3 394.438 0.864 20 0 GCADHM COC(=O)Cc1csc(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821663537 599232858 /nfs/dbraw/zinc/23/28/58/599232858.db2.gz BKBARGRIUUODRZ-UHFFFAOYSA-N -1 3 394.438 0.864 20 0 GCADHM COCCCS(=O)(=O)NCC(=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000821688204 607264765 /nfs/dbraw/zinc/26/47/65/607264765.db2.gz BUAHYSREMLAHSN-UHFFFAOYSA-N -1 3 387.393 0.005 20 0 GCADHM COCCCS(=O)(=O)NCC(=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000821688204 607264766 /nfs/dbraw/zinc/26/47/66/607264766.db2.gz BUAHYSREMLAHSN-UHFFFAOYSA-N -1 3 387.393 0.005 20 0 GCADHM COCCCS(=O)(=O)NCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000821688500 607264928 /nfs/dbraw/zinc/26/49/28/607264928.db2.gz NDHRPNGQRXIHSO-UHFFFAOYSA-N -1 3 387.393 0.005 20 0 GCADHM CNc1nc(N2CC[C@H](C(=O)[O-])C2)nc(N2CC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000818500648 596981436 /nfs/dbraw/zinc/98/14/36/596981436.db2.gz WEOSVKKYQFPHTR-RYUDHWBXSA-N -1 3 392.460 0.414 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)n1 ZINC000737613834 599234633 /nfs/dbraw/zinc/23/46/33/599234633.db2.gz RKFUFGXWJSWHKC-WHLNPGIBSA-N -1 3 392.423 0.925 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)n1 ZINC000737613834 599234635 /nfs/dbraw/zinc/23/46/35/599234635.db2.gz RKFUFGXWJSWHKC-WHLNPGIBSA-N -1 3 392.423 0.925 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)n1 ZINC000737610897 599235025 /nfs/dbraw/zinc/23/50/25/599235025.db2.gz AFJQJOAIFVDFRR-ZDUSSCGKSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)n1 ZINC000737610897 599235028 /nfs/dbraw/zinc/23/50/28/599235028.db2.gz AFJQJOAIFVDFRR-ZDUSSCGKSA-N -1 3 396.411 0.291 20 0 GCADHM CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000736841253 599236721 /nfs/dbraw/zinc/23/67/21/599236721.db2.gz BTLZICPVIKIJHN-UHFFFAOYSA-N -1 3 397.424 0.882 20 0 GCADHM CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cccc(-c2nnnn2C)c1 ZINC000736841253 599236723 /nfs/dbraw/zinc/23/67/23/599236723.db2.gz BTLZICPVIKIJHN-UHFFFAOYSA-N -1 3 397.424 0.882 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1CCOC ZINC000736406139 599236911 /nfs/dbraw/zinc/23/69/11/599236911.db2.gz JKFFBMPICASHKA-CYBMUJFWSA-N -1 3 380.474 0.598 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1CCOC ZINC000736406139 599236915 /nfs/dbraw/zinc/23/69/15/599236915.db2.gz JKFFBMPICASHKA-CYBMUJFWSA-N -1 3 380.474 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCN1CCOC ZINC000736411010 599237076 /nfs/dbraw/zinc/23/70/76/599237076.db2.gz ZXQORLCOZPHSBD-HNNXBMFYSA-N -1 3 394.501 0.906 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCN1CCOC ZINC000736411010 599237077 /nfs/dbraw/zinc/23/70/77/599237077.db2.gz ZXQORLCOZPHSBD-HNNXBMFYSA-N -1 3 394.501 0.906 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1CCOC ZINC000736406141 599237095 /nfs/dbraw/zinc/23/70/95/599237095.db2.gz JKFFBMPICASHKA-ZDUSSCGKSA-N -1 3 380.474 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1CCOC ZINC000736406141 599237096 /nfs/dbraw/zinc/23/70/96/599237096.db2.gz JKFFBMPICASHKA-ZDUSSCGKSA-N -1 3 380.474 0.598 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)NCc1ccc(F)cc1 ZINC000738075348 599240341 /nfs/dbraw/zinc/24/03/41/599240341.db2.gz PUDCJAMUNIJRTA-UHFFFAOYSA-N -1 3 384.375 0.245 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)NCc1ccc(F)cc1 ZINC000738075348 599240343 /nfs/dbraw/zinc/24/03/43/599240343.db2.gz PUDCJAMUNIJRTA-UHFFFAOYSA-N -1 3 384.375 0.245 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820656548 599240632 /nfs/dbraw/zinc/24/06/32/599240632.db2.gz GBVYZIKTJSKLIA-QMTHXVAHSA-N -1 3 381.400 0.916 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820656548 599240633 /nfs/dbraw/zinc/24/06/33/599240633.db2.gz GBVYZIKTJSKLIA-QMTHXVAHSA-N -1 3 381.400 0.916 20 0 GCADHM Cc1c(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)cccc1-c1nnn[n-]1 ZINC000822054311 607272503 /nfs/dbraw/zinc/27/25/03/607272503.db2.gz XHWDIANIKDOJSP-UHFFFAOYSA-N -1 3 397.439 0.631 20 0 GCADHM Cc1c(NC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)cccc1-c1nn[n-]n1 ZINC000822054311 607272504 /nfs/dbraw/zinc/27/25/04/607272504.db2.gz XHWDIANIKDOJSP-UHFFFAOYSA-N -1 3 397.439 0.631 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000736619021 599244222 /nfs/dbraw/zinc/24/42/22/599244222.db2.gz OOHDSYPVLKQANU-CYBMUJFWSA-N -1 3 387.444 0.374 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000736619021 599244223 /nfs/dbraw/zinc/24/42/23/599244223.db2.gz OOHDSYPVLKQANU-CYBMUJFWSA-N -1 3 387.444 0.374 20 0 GCADHM CCn1cnnc1CCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736722354 599363794 /nfs/dbraw/zinc/36/37/94/599363794.db2.gz OFYVVZGEAAXUNE-UHFFFAOYSA-N -1 3 382.837 0.653 20 0 GCADHM CCn1cnnc1CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736722354 599363799 /nfs/dbraw/zinc/36/37/99/599363799.db2.gz OFYVVZGEAAXUNE-UHFFFAOYSA-N -1 3 382.837 0.653 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cccc1-c1nnn[n-]1 ZINC000822052158 607278571 /nfs/dbraw/zinc/27/85/71/607278571.db2.gz AAAUZTOWHRWWPK-JKSUJKDBSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cccc1-c1nn[n-]n1 ZINC000822052158 607278572 /nfs/dbraw/zinc/27/85/72/607278572.db2.gz AAAUZTOWHRWWPK-JKSUJKDBSA-N -1 3 378.392 0.888 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000736183128 599244371 /nfs/dbraw/zinc/24/43/71/599244371.db2.gz RKMIQZGGAOJJMN-GJZGRUSLSA-N -1 3 386.456 0.815 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821442413 607275981 /nfs/dbraw/zinc/27/59/81/607275981.db2.gz RUNKXCOTQSHQRT-JTQLQIEISA-N -1 3 394.457 0.395 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821442413 607275982 /nfs/dbraw/zinc/27/59/82/607275982.db2.gz RUNKXCOTQSHQRT-JTQLQIEISA-N -1 3 394.457 0.395 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCN1CCOC ZINC000736411257 599244579 /nfs/dbraw/zinc/24/45/79/599244579.db2.gz PZKSPQCGIJBKBB-HNNXBMFYSA-N -1 3 387.444 0.374 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cccc1-c1nnn[n-]1 ZINC000822045376 607276254 /nfs/dbraw/zinc/27/62/54/607276254.db2.gz QDYSHKMCOAKPNV-CHWSQXEVSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cccc1-c1nn[n-]n1 ZINC000822045376 607276255 /nfs/dbraw/zinc/27/62/55/607276255.db2.gz QDYSHKMCOAKPNV-CHWSQXEVSA-N -1 3 399.455 0.877 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000736183130 599244792 /nfs/dbraw/zinc/24/47/92/599244792.db2.gz RKMIQZGGAOJJMN-LSDHHAIUSA-N -1 3 386.456 0.815 20 0 GCADHM COCCOC1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821691840 607276558 /nfs/dbraw/zinc/27/65/58/607276558.db2.gz GRHXKURMXLHQRK-UHFFFAOYSA-N -1 3 388.428 0.768 20 0 GCADHM COCCOC1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821691840 607276559 /nfs/dbraw/zinc/27/65/59/607276559.db2.gz GRHXKURMXLHQRK-UHFFFAOYSA-N -1 3 388.428 0.768 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820656762 599245456 /nfs/dbraw/zinc/24/54/56/599245456.db2.gz HCGBUWXVARZYCO-QMTHXVAHSA-N -1 3 381.400 0.916 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820656762 599245458 /nfs/dbraw/zinc/24/54/58/599245458.db2.gz HCGBUWXVARZYCO-QMTHXVAHSA-N -1 3 381.400 0.916 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)CC2 ZINC000821509927 607277992 /nfs/dbraw/zinc/27/79/92/607277992.db2.gz PVOGZFATWXNOSQ-LLVKDONJSA-N -1 3 395.427 0.399 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)CC2 ZINC000821509927 607277993 /nfs/dbraw/zinc/27/79/93/607277993.db2.gz PVOGZFATWXNOSQ-LLVKDONJSA-N -1 3 395.427 0.399 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2cccnc2N(C)C)cccc1-c1nnn[n-]1 ZINC000822061693 607272589 /nfs/dbraw/zinc/27/25/89/607272589.db2.gz VDJVAGKIWGLOQO-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2cccnc2N(C)C)cccc1-c1nn[n-]n1 ZINC000822061693 607272590 /nfs/dbraw/zinc/27/25/90/607272590.db2.gz VDJVAGKIWGLOQO-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM CCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821114262 607273500 /nfs/dbraw/zinc/27/35/00/607273500.db2.gz LUJRJOGYJXJURE-UHFFFAOYSA-N -1 3 399.455 0.878 20 0 GCADHM CCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821114262 607273501 /nfs/dbraw/zinc/27/35/01/607273501.db2.gz LUJRJOGYJXJURE-UHFFFAOYSA-N -1 3 399.455 0.878 20 0 GCADHM Cc1c(NC(=O)C(=O)NC2CCC3(CC2)OCCO3)cccc1-c1nnn[n-]1 ZINC000822045410 607273734 /nfs/dbraw/zinc/27/37/34/607273734.db2.gz QQFYADIWNQJSOR-UHFFFAOYSA-N -1 3 386.412 0.916 20 0 GCADHM Cc1c(NC(=O)C(=O)NC2CCC3(CC2)OCCO3)cccc1-c1nn[n-]n1 ZINC000822045410 607273735 /nfs/dbraw/zinc/27/37/35/607273735.db2.gz QQFYADIWNQJSOR-UHFFFAOYSA-N -1 3 386.412 0.916 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(NC(=O)C(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000822045420 607273818 /nfs/dbraw/zinc/27/38/18/607273818.db2.gz QSYGWHDKKIXSCD-UHFFFAOYSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(NC(=O)C(C)C)CC2)cccc1-c1nn[n-]n1 ZINC000822045420 607273819 /nfs/dbraw/zinc/27/38/19/607273819.db2.gz QSYGWHDKKIXSCD-UHFFFAOYSA-N -1 3 399.455 0.877 20 0 GCADHM CC(=O)NCC1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000819802454 607274217 /nfs/dbraw/zinc/27/42/17/607274217.db2.gz BYAYDFRAXPEONV-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CC(=O)NCC1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000819802454 607274218 /nfs/dbraw/zinc/27/42/18/607274218.db2.gz BYAYDFRAXPEONV-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000822242557 607274590 /nfs/dbraw/zinc/27/45/90/607274590.db2.gz PFKYHZLVEQTMCQ-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000822242557 607274591 /nfs/dbraw/zinc/27/45/91/607274591.db2.gz PFKYHZLVEQTMCQ-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821114026 607275123 /nfs/dbraw/zinc/27/51/23/607275123.db2.gz JAQRTCCUVSOXRN-ZDUSSCGKSA-N -1 3 399.455 0.878 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821114026 607275124 /nfs/dbraw/zinc/27/51/24/607275124.db2.gz JAQRTCCUVSOXRN-ZDUSSCGKSA-N -1 3 399.455 0.878 20 0 GCADHM CC(C)[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)C(=O)[O-] ZINC000817926142 597220643 /nfs/dbraw/zinc/22/06/43/597220643.db2.gz SCDWFIROEHLIHN-CQSZACIVSA-N -1 3 392.412 0.320 20 0 GCADHM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccncc2-c2nnn[n-]2)C1=O ZINC000736231525 599249571 /nfs/dbraw/zinc/24/95/71/599249571.db2.gz XXBPJFIPSAPCQU-GOSISDBHSA-N -1 3 392.379 0.089 20 0 GCADHM C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccncc2-c2nn[n-]n2)C1=O ZINC000736231525 599249574 /nfs/dbraw/zinc/24/95/74/599249574.db2.gz XXBPJFIPSAPCQU-GOSISDBHSA-N -1 3 392.379 0.089 20 0 GCADHM CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821284185 607279475 /nfs/dbraw/zinc/27/94/75/607279475.db2.gz CAFWVKXLZGVBKJ-NSHDSACASA-N -1 3 386.416 0.034 20 0 GCADHM CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821284185 607279476 /nfs/dbraw/zinc/27/94/76/607279476.db2.gz CAFWVKXLZGVBKJ-NSHDSACASA-N -1 3 386.416 0.034 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCS(=O)(=O)CC2CC2)cccc1-c1nnn[n-]1 ZINC000822053220 607279840 /nfs/dbraw/zinc/27/98/40/607279840.db2.gz KOPWQZCRJKNLSK-UHFFFAOYSA-N -1 3 392.441 0.055 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCS(=O)(=O)CC2CC2)cccc1-c1nn[n-]n1 ZINC000822053220 607279841 /nfs/dbraw/zinc/27/98/41/607279841.db2.gz KOPWQZCRJKNLSK-UHFFFAOYSA-N -1 3 392.441 0.055 20 0 GCADHM CC(=O)[C@H]1CC(C(=O)Nc2ccncc2-c2nnn[n-]2)=NN1c1ccccc1 ZINC000735458750 599251736 /nfs/dbraw/zinc/25/17/36/599251736.db2.gz POHWBELGUOYGMP-MRXNPFEDSA-N -1 3 376.380 0.846 20 0 GCADHM CC(=O)[C@H]1CC(C(=O)Nc2ccncc2-c2nn[n-]n2)=NN1c1ccccc1 ZINC000735458750 599251739 /nfs/dbraw/zinc/25/17/39/599251739.db2.gz POHWBELGUOYGMP-MRXNPFEDSA-N -1 3 376.380 0.846 20 0 GCADHM Cc1c(NC(=O)Nc2cnn(CC(=O)NCCO)c2)cccc1-c1nnn[n-]1 ZINC000822102950 607281030 /nfs/dbraw/zinc/28/10/30/607281030.db2.gz FHPSBEBJJUFVTF-UHFFFAOYSA-N -1 3 385.388 0.124 20 0 GCADHM Cc1c(NC(=O)Nc2cnn(CC(=O)NCCO)c2)cccc1-c1nn[n-]n1 ZINC000822102950 607281031 /nfs/dbraw/zinc/28/10/31/607281031.db2.gz FHPSBEBJJUFVTF-UHFFFAOYSA-N -1 3 385.388 0.124 20 0 GCADHM COc1ccc([C@H](CC(=O)Nc2ccncc2-c2nnn[n-]2)NC(C)=O)cc1 ZINC000737075336 599252355 /nfs/dbraw/zinc/25/23/55/599252355.db2.gz MRKBBHMHWUFYBW-INIZCTEOSA-N -1 3 381.396 0.898 20 0 GCADHM COc1ccc([C@H](CC(=O)Nc2ccncc2-c2nn[n-]n2)NC(C)=O)cc1 ZINC000737075336 599252357 /nfs/dbraw/zinc/25/23/57/599252357.db2.gz MRKBBHMHWUFYBW-INIZCTEOSA-N -1 3 381.396 0.898 20 0 GCADHM COCCS(=O)(=O)c1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1 ZINC000737013422 599256397 /nfs/dbraw/zinc/25/63/97/599256397.db2.gz HQXAORPROLVWRA-UHFFFAOYSA-N -1 3 388.409 0.356 20 0 GCADHM COCCS(=O)(=O)c1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1 ZINC000737013422 599256399 /nfs/dbraw/zinc/25/63/99/599256399.db2.gz HQXAORPROLVWRA-UHFFFAOYSA-N -1 3 388.409 0.356 20 0 GCADHM CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000818207475 597345562 /nfs/dbraw/zinc/34/55/62/597345562.db2.gz HGNCTOGJXWFGST-CQSZACIVSA-N -1 3 376.457 0.394 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821636405 607286275 /nfs/dbraw/zinc/28/62/75/607286275.db2.gz PSZOZMOKFOFWPF-UHFFFAOYSA-N -1 3 379.446 0.721 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821636405 607286276 /nfs/dbraw/zinc/28/62/76/607286276.db2.gz PSZOZMOKFOFWPF-UHFFFAOYSA-N -1 3 379.446 0.721 20 0 GCADHM Cc1c(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000822083572 607290595 /nfs/dbraw/zinc/29/05/95/607290595.db2.gz CMCCARZAVAYUFZ-UHFFFAOYSA-N -1 3 394.461 0.131 20 0 GCADHM Cc1c(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cccc1-c1nn[n-]n1 ZINC000822083572 607290596 /nfs/dbraw/zinc/29/05/96/607290596.db2.gz CMCCARZAVAYUFZ-UHFFFAOYSA-N -1 3 394.461 0.131 20 0 GCADHM Cc1c(NC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cccc1-c1nnn[n-]1 ZINC000822084481 607291419 /nfs/dbraw/zinc/29/14/19/607291419.db2.gz KWOFWGAWTHDIPI-ZDUSSCGKSA-N -1 3 398.471 0.992 20 0 GCADHM Cc1c(NC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cccc1-c1nn[n-]n1 ZINC000822084481 607291420 /nfs/dbraw/zinc/29/14/20/607291420.db2.gz KWOFWGAWTHDIPI-ZDUSSCGKSA-N -1 3 398.471 0.992 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000820317028 607293062 /nfs/dbraw/zinc/29/30/62/607293062.db2.gz ZQNCNESILAGHPW-RNCFNFMXSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000820317028 607293063 /nfs/dbraw/zinc/29/30/63/607293063.db2.gz ZQNCNESILAGHPW-RNCFNFMXSA-N -1 3 393.835 0.294 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000819789259 607293594 /nfs/dbraw/zinc/29/35/94/607293594.db2.gz LGAMQDGNWUFNNO-OAHLLOKOSA-N -1 3 396.411 0.821 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000819789259 607293595 /nfs/dbraw/zinc/29/35/95/607293595.db2.gz LGAMQDGNWUFNNO-OAHLLOKOSA-N -1 3 396.411 0.821 20 0 GCADHM CNC(=O)CN1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000736874533 599259440 /nfs/dbraw/zinc/25/94/40/599259440.db2.gz RKBPJKVFRIYYFB-UHFFFAOYSA-N -1 3 388.382 0.561 20 0 GCADHM CNC(=O)CN1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000736874533 599259441 /nfs/dbraw/zinc/25/94/41/599259441.db2.gz RKBPJKVFRIYYFB-UHFFFAOYSA-N -1 3 388.382 0.561 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NCCN1CCOCC1 ZINC000822954788 607298567 /nfs/dbraw/zinc/29/85/67/607298567.db2.gz DFAWHMPUXOYRJF-UHFFFAOYSA-N -1 3 387.444 0.424 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NCCN1CCOCC1 ZINC000822954788 607298568 /nfs/dbraw/zinc/29/85/68/607298568.db2.gz DFAWHMPUXOYRJF-UHFFFAOYSA-N -1 3 387.444 0.424 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)CSc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737612152 599260468 /nfs/dbraw/zinc/26/04/68/599260468.db2.gz XFEBNOMILGUHQD-CQSZACIVSA-N -1 3 398.452 0.614 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)CSc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737612152 599260471 /nfs/dbraw/zinc/26/04/71/599260471.db2.gz XFEBNOMILGUHQD-CQSZACIVSA-N -1 3 398.452 0.614 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821440658 607299099 /nfs/dbraw/zinc/29/90/99/607299099.db2.gz AAHOEJVXNCZYTQ-UHFFFAOYSA-N -1 3 387.853 0.317 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821440658 607299100 /nfs/dbraw/zinc/29/91/00/607299100.db2.gz AAHOEJVXNCZYTQ-UHFFFAOYSA-N -1 3 387.853 0.317 20 0 GCADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCC[C@H]1CN1CCOCC1 ZINC000823498523 607301783 /nfs/dbraw/zinc/30/17/83/607301783.db2.gz SUZUHMCPBILQCZ-LBPRGKRZSA-N -1 3 377.836 0.852 20 0 GCADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCC[C@H]1CN1CCOCC1 ZINC000823498523 607301784 /nfs/dbraw/zinc/30/17/84/607301784.db2.gz SUZUHMCPBILQCZ-LBPRGKRZSA-N -1 3 377.836 0.852 20 0 GCADHM C[C@H]1Oc2ccc(NC[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2NC1=O ZINC000820821347 607308550 /nfs/dbraw/zinc/30/85/50/607308550.db2.gz SHTNWLZMSKXCAG-ZJUUUORDSA-N -1 3 381.400 0.936 20 0 GCADHM C[C@H]1Oc2ccc(NC[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2NC1=O ZINC000820821347 607308551 /nfs/dbraw/zinc/30/85/51/607308551.db2.gz SHTNWLZMSKXCAG-ZJUUUORDSA-N -1 3 381.400 0.936 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000735472856 599264273 /nfs/dbraw/zinc/26/42/73/599264273.db2.gz BLISWDGTLLYCFD-IAGOWNOFSA-N -1 3 399.455 0.199 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000735472853 599264310 /nfs/dbraw/zinc/26/43/10/599264310.db2.gz BLISWDGTLLYCFD-DLBZAZTESA-N -1 3 399.455 0.199 20 0 GCADHM NC(=O)CCOc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000822868838 607310139 /nfs/dbraw/zinc/31/01/39/607310139.db2.gz IVAVCNTWNMNIFB-NSHDSACASA-N -1 3 383.416 0.471 20 0 GCADHM NC(=O)CCOc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000822868838 607310140 /nfs/dbraw/zinc/31/01/40/607310140.db2.gz IVAVCNTWNMNIFB-NSHDSACASA-N -1 3 383.416 0.471 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000821406591 599264855 /nfs/dbraw/zinc/26/48/55/599264855.db2.gz IZPURCKGBMNKGH-LLVKDONJSA-N -1 3 380.430 0.964 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000821406591 599264856 /nfs/dbraw/zinc/26/48/56/599264856.db2.gz IZPURCKGBMNKGH-LLVKDONJSA-N -1 3 380.430 0.964 20 0 GCADHM c1ncn(Cc2ccccc2NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)n1 ZINC000823786975 607314658 /nfs/dbraw/zinc/31/46/58/607314658.db2.gz GBQBEUBHBLBUGR-LBPRGKRZSA-N -1 3 377.416 0.857 20 0 GCADHM c1ncn(Cc2ccccc2NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)n1 ZINC000823786975 607314659 /nfs/dbraw/zinc/31/46/59/607314659.db2.gz GBQBEUBHBLBUGR-LBPRGKRZSA-N -1 3 377.416 0.857 20 0 GCADHM O=S(=O)(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823572126 607315568 /nfs/dbraw/zinc/31/55/68/607315568.db2.gz BSNMHVAEOKFLNO-HUUCEWRRSA-N -1 3 375.385 0.942 20 0 GCADHM O=S(=O)(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823572126 607315569 /nfs/dbraw/zinc/31/55/69/607315569.db2.gz BSNMHVAEOKFLNO-HUUCEWRRSA-N -1 3 375.385 0.942 20 0 GCADHM O[C@H](CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21)CN1CCOCC1 ZINC000823690334 607303367 /nfs/dbraw/zinc/30/33/67/607303367.db2.gz NJZXKWQCYLDWDQ-LLVKDONJSA-N -1 3 391.382 0.798 20 0 GCADHM O[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21)CN1CCOCC1 ZINC000823690334 607303368 /nfs/dbraw/zinc/30/33/68/607303368.db2.gz NJZXKWQCYLDWDQ-LLVKDONJSA-N -1 3 391.382 0.798 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2nnc3n2CCCCC3)c(-c2nnn[n-]2)c1 ZINC000822899882 607303457 /nfs/dbraw/zinc/30/34/57/607303457.db2.gz XBIMILGHHZDIDD-UHFFFAOYSA-N -1 3 389.445 0.444 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2nnc3n2CCCCC3)c(-c2nn[n-]n2)c1 ZINC000822899882 607303458 /nfs/dbraw/zinc/30/34/58/607303458.db2.gz XBIMILGHHZDIDD-UHFFFAOYSA-N -1 3 389.445 0.444 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)cc1 ZINC000737760611 599265902 /nfs/dbraw/zinc/26/59/02/599265902.db2.gz PAUKAKIPYDVFTF-UHFFFAOYSA-N -1 3 383.437 0.990 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)cc1 ZINC000737760611 599265903 /nfs/dbraw/zinc/26/59/03/599265903.db2.gz PAUKAKIPYDVFTF-UHFFFAOYSA-N -1 3 383.437 0.990 20 0 GCADHM Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000822191575 607303992 /nfs/dbraw/zinc/30/39/92/607303992.db2.gz KKFRYOWOFJHCCF-ZDUSSCGKSA-N -1 3 377.474 0.188 20 0 GCADHM Cc1cc(C)c(-c2nn[n-]n2)c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 ZINC000822191575 607303993 /nfs/dbraw/zinc/30/39/93/607303993.db2.gz KKFRYOWOFJHCCF-ZDUSSCGKSA-N -1 3 377.474 0.188 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000737759250 599266033 /nfs/dbraw/zinc/26/60/33/599266033.db2.gz IWLSCJKAIINSKT-UHFFFAOYSA-N -1 3 378.396 0.323 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000737759250 599266035 /nfs/dbraw/zinc/26/60/35/599266035.db2.gz IWLSCJKAIINSKT-UHFFFAOYSA-N -1 3 378.396 0.323 20 0 GCADHM c1ccc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)c(-c2nn[n-]n2)c1 ZINC000823787768 607305057 /nfs/dbraw/zinc/30/50/57/607305057.db2.gz QLWHOHRCFOYNGT-UHFFFAOYSA-N -1 3 393.455 0.820 20 0 GCADHM CNC(=O)CCOc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821633121 607317086 /nfs/dbraw/zinc/31/70/86/607317086.db2.gz ZJPDCBRDPGFOLS-GFCCVEGCSA-N -1 3 397.443 0.732 20 0 GCADHM CNC(=O)CCOc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821633121 607317087 /nfs/dbraw/zinc/31/70/87/607317087.db2.gz ZJPDCBRDPGFOLS-GFCCVEGCSA-N -1 3 397.443 0.732 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCCNS(C)(=O)=O ZINC000737265108 599267261 /nfs/dbraw/zinc/26/72/61/599267261.db2.gz XLSZBCADEIFHPQ-UHFFFAOYSA-N -1 3 379.421 0.636 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCCNS(C)(=O)=O ZINC000737265108 599267263 /nfs/dbraw/zinc/26/72/63/599267263.db2.gz XLSZBCADEIFHPQ-UHFFFAOYSA-N -1 3 379.421 0.636 20 0 GCADHM CC(=O)NC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000735475575 599270628 /nfs/dbraw/zinc/27/06/28/599270628.db2.gz XXYSOWRGDXSXPQ-GFCCVEGCSA-N -1 3 393.835 0.296 20 0 GCADHM CC(=O)NC[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000735475575 599270631 /nfs/dbraw/zinc/27/06/31/599270631.db2.gz XXYSOWRGDXSXPQ-GFCCVEGCSA-N -1 3 393.835 0.296 20 0 GCADHM COc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1-n1cnnn1 ZINC000821835990 607317900 /nfs/dbraw/zinc/31/79/00/607317900.db2.gz WNSMVNSTNCAZKD-JTQLQIEISA-N -1 3 394.403 0.201 20 0 GCADHM COc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1-n1cnnn1 ZINC000821835990 607317901 /nfs/dbraw/zinc/31/79/01/607317901.db2.gz WNSMVNSTNCAZKD-JTQLQIEISA-N -1 3 394.403 0.201 20 0 GCADHM CCN1CCN(c2ccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])cc2)CC1 ZINC000510300333 597692860 /nfs/dbraw/zinc/69/28/60/597692860.db2.gz VODHSYHDGYHMMZ-OAHLLOKOSA-N -1 3 390.484 0.880 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC000736885711 599273080 /nfs/dbraw/zinc/27/30/80/599273080.db2.gz BEBRQHSWGVPYOZ-UHFFFAOYSA-N -1 3 386.441 0.587 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)Cc1cccc(-c3nn[n-]n3)c1)C2 ZINC000736885711 599273083 /nfs/dbraw/zinc/27/30/83/599273083.db2.gz BEBRQHSWGVPYOZ-UHFFFAOYSA-N -1 3 386.441 0.587 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000736184695 599274367 /nfs/dbraw/zinc/27/43/67/599274367.db2.gz MIXLVVLJKNDKNS-GXFFZTMASA-N -1 3 397.482 0.580 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCSC[C@H]1S(C)(=O)=O ZINC000736184695 599274369 /nfs/dbraw/zinc/27/43/69/599274369.db2.gz MIXLVVLJKNDKNS-GXFFZTMASA-N -1 3 397.482 0.580 20 0 GCADHM C[C@H]1CN=C(N2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)S1 ZINC000736295832 599278216 /nfs/dbraw/zinc/27/82/16/599278216.db2.gz YUUWDKGUZIJZGD-LBPRGKRZSA-N -1 3 387.469 0.881 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736637936 599278478 /nfs/dbraw/zinc/27/84/78/599278478.db2.gz VAPWTSXXEHKBRH-CYBMUJFWSA-N -1 3 399.415 0.790 20 0 GCADHM CCC1N=NC(=S)N1CCNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736711266 599279356 /nfs/dbraw/zinc/27/93/56/599279356.db2.gz SZZKHKOWBLPHAK-SNVBAGLBSA-N -1 3 388.457 0.893 20 0 GCADHM CCC1N=NC(=S)N1CCNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736711266 599279359 /nfs/dbraw/zinc/27/93/59/599279359.db2.gz SZZKHKOWBLPHAK-SNVBAGLBSA-N -1 3 388.457 0.893 20 0 GCADHM CN(C)C(=O)CN1CCC(NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821575850 599279893 /nfs/dbraw/zinc/27/98/93/599279893.db2.gz RNSWMQNREBRIIY-UHFFFAOYSA-N -1 3 390.423 0.680 20 0 GCADHM CN(C)C(=O)CN1CCC(NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821575850 599279896 /nfs/dbraw/zinc/27/98/96/599279896.db2.gz RNSWMQNREBRIIY-UHFFFAOYSA-N -1 3 390.423 0.680 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736812848 599280679 /nfs/dbraw/zinc/28/06/79/599280679.db2.gz HQWBBUYPEUWIGV-OAHLLOKOSA-N -1 3 395.427 0.547 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736812848 599280681 /nfs/dbraw/zinc/28/06/81/599280681.db2.gz HQWBBUYPEUWIGV-OAHLLOKOSA-N -1 3 395.427 0.547 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000737061880 599280968 /nfs/dbraw/zinc/28/09/68/599280968.db2.gz FTUHNYZAJNWGTG-LBPRGKRZSA-N -1 3 385.388 0.400 20 0 GCADHM Cc1cnn(CCNC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737449229 599281030 /nfs/dbraw/zinc/28/10/30/599281030.db2.gz URJWSMPIBZHXQG-UHFFFAOYSA-N -1 3 381.444 0.903 20 0 GCADHM Cc1cnn(CCNC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737449229 599281032 /nfs/dbraw/zinc/28/10/32/599281032.db2.gz URJWSMPIBZHXQG-UHFFFAOYSA-N -1 3 381.444 0.903 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737609480 599281332 /nfs/dbraw/zinc/28/13/32/599281332.db2.gz ICBYVVRDLSUDAR-CYBMUJFWSA-N -1 3 385.363 0.666 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737609480 599281333 /nfs/dbraw/zinc/28/13/33/599281333.db2.gz ICBYVVRDLSUDAR-CYBMUJFWSA-N -1 3 385.363 0.666 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000737061879 599281600 /nfs/dbraw/zinc/28/16/00/599281600.db2.gz FTUHNYZAJNWGTG-GFCCVEGCSA-N -1 3 385.388 0.400 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@@H](Cn2cncn2)C1 ZINC000738099210 599282242 /nfs/dbraw/zinc/28/22/42/599282242.db2.gz DRXQZZIZWSFHTB-CYBMUJFWSA-N -1 3 387.379 0.208 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@@H](Cn2cncn2)C1 ZINC000738099210 599282245 /nfs/dbraw/zinc/28/22/45/599282245.db2.gz DRXQZZIZWSFHTB-CYBMUJFWSA-N -1 3 387.379 0.208 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)COc2ccccc2-c2nnn[n-]2)nn1 ZINC000821663610 607320776 /nfs/dbraw/zinc/32/07/76/607320776.db2.gz GCHFFBZSAFEQNF-JTQLQIEISA-N -1 3 387.356 0.314 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)COc2ccccc2-c2nn[n-]n2)nn1 ZINC000821663610 607320777 /nfs/dbraw/zinc/32/07/77/607320777.db2.gz GCHFFBZSAFEQNF-JTQLQIEISA-N -1 3 387.356 0.314 20 0 GCADHM Cn1cccc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1=O ZINC000822689875 599284426 /nfs/dbraw/zinc/28/44/26/599284426.db2.gz QJDNKSIESDYORR-UHFFFAOYSA-N -1 3 381.400 0.315 20 0 GCADHM Cn1cccc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1=O ZINC000822689875 599284428 /nfs/dbraw/zinc/28/44/28/599284428.db2.gz QJDNKSIESDYORR-UHFFFAOYSA-N -1 3 381.400 0.315 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(O)CCCC1 ZINC000820444463 607323546 /nfs/dbraw/zinc/32/35/46/607323546.db2.gz JLMDHNLAYNFBRA-LLVKDONJSA-N -1 3 395.441 0.382 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(O)CCCC1 ZINC000820444463 607323547 /nfs/dbraw/zinc/32/35/47/607323547.db2.gz JLMDHNLAYNFBRA-LLVKDONJSA-N -1 3 395.441 0.382 20 0 GCADHM C[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@@H]1CN(C)CCO1 ZINC000820396277 607325261 /nfs/dbraw/zinc/32/52/61/607325261.db2.gz DSJGUITXPPAJBV-NHYWBVRUSA-N -1 3 397.443 0.084 20 0 GCADHM C[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[C@@H]1CN(C)CCO1 ZINC000820396277 607325262 /nfs/dbraw/zinc/32/52/62/607325262.db2.gz DSJGUITXPPAJBV-NHYWBVRUSA-N -1 3 397.443 0.084 20 0 GCADHM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000822899392 607328242 /nfs/dbraw/zinc/32/82/42/607328242.db2.gz ILNLLKBLGYEBTB-UHFFFAOYSA-N -1 3 398.401 0.454 20 0 GCADHM CCN(CC)C(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821175595 607333463 /nfs/dbraw/zinc/33/34/63/607333463.db2.gz PDWMTAPDHNLJPU-UHFFFAOYSA-N -1 3 391.407 0.709 20 0 GCADHM CCN(CC)C(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821175595 607333464 /nfs/dbraw/zinc/33/34/64/607333464.db2.gz PDWMTAPDHNLJPU-UHFFFAOYSA-N -1 3 391.407 0.709 20 0 GCADHM O=C(NC[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823166087 607333533 /nfs/dbraw/zinc/33/35/33/607333533.db2.gz DZDHOOWVFKOFDG-AWEZNQCLSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823166087 607333534 /nfs/dbraw/zinc/33/35/34/607333534.db2.gz DZDHOOWVFKOFDG-AWEZNQCLSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NCCCOC[C@H]1CCCO1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823190617 607332844 /nfs/dbraw/zinc/33/28/44/607332844.db2.gz AEXYDFHCTBUZEZ-GFCCVEGCSA-N -1 3 392.391 0.646 20 0 GCADHM O=C(NCCCOC[C@H]1CCCO1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823190617 607332845 /nfs/dbraw/zinc/33/28/45/607332845.db2.gz AEXYDFHCTBUZEZ-GFCCVEGCSA-N -1 3 392.391 0.646 20 0 GCADHM Cc1cc(C)n(CCCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822198903 607332856 /nfs/dbraw/zinc/33/28/56/607332856.db2.gz NNQJFIZZOGAFFE-UHFFFAOYSA-N -1 3 386.391 0.964 20 0 GCADHM Cc1cc(C)n(CCCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822198903 607332857 /nfs/dbraw/zinc/33/28/57/607332857.db2.gz NNQJFIZZOGAFFE-UHFFFAOYSA-N -1 3 386.391 0.964 20 0 GCADHM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000822709127 607333786 /nfs/dbraw/zinc/33/37/86/607333786.db2.gz GYKNWRPYBXVWKK-GFCCVEGCSA-N -1 3 384.375 0.872 20 0 GCADHM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000822709127 607333787 /nfs/dbraw/zinc/33/37/87/607333787.db2.gz GYKNWRPYBXVWKK-GFCCVEGCSA-N -1 3 384.375 0.872 20 0 GCADHM CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820103237 607333925 /nfs/dbraw/zinc/33/39/25/607333925.db2.gz QHIXGTMYYUXVDD-LLVKDONJSA-N -1 3 380.380 0.094 20 0 GCADHM CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820103237 607333926 /nfs/dbraw/zinc/33/39/26/607333926.db2.gz QHIXGTMYYUXVDD-LLVKDONJSA-N -1 3 380.380 0.094 20 0 GCADHM CCOC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821334922 607334102 /nfs/dbraw/zinc/33/41/02/607334102.db2.gz UDIHGSOMKLIADH-UHFFFAOYSA-N -1 3 391.363 0.245 20 0 GCADHM CCOC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821334922 607334104 /nfs/dbraw/zinc/33/41/04/607334104.db2.gz UDIHGSOMKLIADH-UHFFFAOYSA-N -1 3 391.363 0.245 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820876053 607335875 /nfs/dbraw/zinc/33/58/75/607335875.db2.gz KWDABWVTENRKNY-IUCAKERBSA-N -1 3 377.380 0.364 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820876053 607335877 /nfs/dbraw/zinc/33/58/77/607335877.db2.gz KWDABWVTENRKNY-IUCAKERBSA-N -1 3 377.380 0.364 20 0 GCADHM CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000820836532 607335914 /nfs/dbraw/zinc/33/59/14/607335914.db2.gz BBSGPGGNVSIVOH-UHFFFAOYSA-N -1 3 389.391 0.415 20 0 GCADHM CCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000820836532 607335915 /nfs/dbraw/zinc/33/59/15/607335915.db2.gz BBSGPGGNVSIVOH-UHFFFAOYSA-N -1 3 389.391 0.415 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821687987 607336031 /nfs/dbraw/zinc/33/60/31/607336031.db2.gz YPZXEQJVSOAVGF-UHFFFAOYSA-N -1 3 380.380 0.456 20 0 GCADHM COCCCN(CCOC)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821687987 607336033 /nfs/dbraw/zinc/33/60/33/607336033.db2.gz YPZXEQJVSOAVGF-UHFFFAOYSA-N -1 3 380.380 0.456 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)[C@@H](C)N1CCOCC1 ZINC000820316959 607336624 /nfs/dbraw/zinc/33/66/24/607336624.db2.gz YDYGHBZDLMPQTI-GHMZBOCLSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)[C@@H](C)N1CCOCC1 ZINC000820316959 607336626 /nfs/dbraw/zinc/33/66/26/607336626.db2.gz YDYGHBZDLMPQTI-GHMZBOCLSA-N -1 3 391.407 0.170 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821664936 607337215 /nfs/dbraw/zinc/33/72/15/607337215.db2.gz OSPDRHUKDCFWJR-SNVBAGLBSA-N -1 3 391.363 0.291 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821664936 607337217 /nfs/dbraw/zinc/33/72/17/607337217.db2.gz OSPDRHUKDCFWJR-SNVBAGLBSA-N -1 3 391.363 0.291 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000823323326 607339994 /nfs/dbraw/zinc/33/99/94/607339994.db2.gz KRBPQRWUKLWLEN-LLVKDONJSA-N -1 3 385.363 0.227 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000823323326 607339995 /nfs/dbraw/zinc/33/99/95/607339995.db2.gz KRBPQRWUKLWLEN-LLVKDONJSA-N -1 3 385.363 0.227 20 0 GCADHM Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(=O)[O-] ZINC000821141179 598162046 /nfs/dbraw/zinc/16/20/46/598162046.db2.gz ZMRGKGPBJHCBKV-HNNXBMFYSA-N -1 3 385.424 0.778 20 0 GCADHM O=C(NCCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823191755 607341110 /nfs/dbraw/zinc/34/11/10/607341110.db2.gz NYKZFBAJSCOVCR-NSHDSACASA-N -1 3 392.391 0.504 20 0 GCADHM O=C(NCCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823191755 607341112 /nfs/dbraw/zinc/34/11/12/607341112.db2.gz NYKZFBAJSCOVCR-NSHDSACASA-N -1 3 392.391 0.504 20 0 GCADHM CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820354082 598173755 /nfs/dbraw/zinc/17/37/55/598173755.db2.gz LMPCJRAYMUOBDX-CQSZACIVSA-N -1 3 376.457 0.713 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820620976 598175497 /nfs/dbraw/zinc/17/54/97/598175497.db2.gz ZKQZLTIGIBNRGZ-HNNXBMFYSA-N -1 3 388.424 0.088 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000823323454 607342947 /nfs/dbraw/zinc/34/29/47/607342947.db2.gz OIZPXQYCODDVBX-HUUCEWRRSA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000823323454 607342949 /nfs/dbraw/zinc/34/29/49/607342949.db2.gz OIZPXQYCODDVBX-HUUCEWRRSA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000823323192 607345436 /nfs/dbraw/zinc/34/54/36/607345436.db2.gz GDUACUXIOLTZFY-ZDUSSCGKSA-N -1 3 387.375 0.214 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000823323192 607345438 /nfs/dbraw/zinc/34/54/38/607345438.db2.gz GDUACUXIOLTZFY-ZDUSSCGKSA-N -1 3 387.375 0.214 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000823323191 607345618 /nfs/dbraw/zinc/34/56/18/607345618.db2.gz GDUACUXIOLTZFY-CYBMUJFWSA-N -1 3 387.375 0.214 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000823323191 607345620 /nfs/dbraw/zinc/34/56/20/607345620.db2.gz GDUACUXIOLTZFY-CYBMUJFWSA-N -1 3 387.375 0.214 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCN1CCO[C@@H](C)C1 ZINC000737022840 598231565 /nfs/dbraw/zinc/23/15/65/598231565.db2.gz CJDDLPHCGVJRTJ-LBPRGKRZSA-N -1 3 376.417 0.091 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCN1CCO[C@@H](C)C1 ZINC000737022840 598231567 /nfs/dbraw/zinc/23/15/67/598231567.db2.gz CJDDLPHCGVJRTJ-LBPRGKRZSA-N -1 3 376.417 0.091 20 0 GCADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCOC(C)(C)C2)C1=O ZINC000736215031 598232652 /nfs/dbraw/zinc/23/26/52/598232652.db2.gz ZTXUAEKLDOUJHT-GOSISDBHSA-N -1 3 385.428 0.702 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCOC(C)(C)C2)C1=O ZINC000736215031 598232653 /nfs/dbraw/zinc/23/26/53/598232653.db2.gz ZTXUAEKLDOUJHT-GOSISDBHSA-N -1 3 385.428 0.702 20 0 GCADHM O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738296049 598235010 /nfs/dbraw/zinc/23/50/10/598235010.db2.gz JNJJMEZCSOOCDF-GJZGRUSLSA-N -1 3 393.451 0.897 20 0 GCADHM O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738296049 598235012 /nfs/dbraw/zinc/23/50/12/598235012.db2.gz JNJJMEZCSOOCDF-GJZGRUSLSA-N -1 3 393.451 0.897 20 0 GCADHM CN1CC(=O)N(CC(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)C1=O ZINC000736845554 598236000 /nfs/dbraw/zinc/23/60/00/598236000.db2.gz MPSBQSGCYURNRK-UHFFFAOYSA-N -1 3 399.411 0.131 20 0 GCADHM CN1CC(=O)N(CC(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)C1=O ZINC000736845554 598236001 /nfs/dbraw/zinc/23/60/01/598236001.db2.gz MPSBQSGCYURNRK-UHFFFAOYSA-N -1 3 399.411 0.131 20 0 GCADHM O=C(CN1CCCNC1=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737873848 598237410 /nfs/dbraw/zinc/23/74/10/598237410.db2.gz QVUZVMQQLAVFEI-UHFFFAOYSA-N -1 3 385.428 0.652 20 0 GCADHM O=C(CN1CCCNC1=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737873848 598237412 /nfs/dbraw/zinc/23/74/12/598237412.db2.gz QVUZVMQQLAVFEI-UHFFFAOYSA-N -1 3 385.428 0.652 20 0 GCADHM COC(=O)[C@@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736894698 598247497 /nfs/dbraw/zinc/24/74/97/598247497.db2.gz HDMDQDIOQDCUOC-KRWDZBQOSA-N -1 3 380.408 0.987 20 0 GCADHM COC(=O)[C@@H](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736894698 598247498 /nfs/dbraw/zinc/24/74/98/598247498.db2.gz HDMDQDIOQDCUOC-KRWDZBQOSA-N -1 3 380.408 0.987 20 0 GCADHM C[C@H]1CCc2c(sc(NC(=O)CCN(C)CC(N)=O)c2-c2nnn[n-]2)C1 ZINC000736279003 598249171 /nfs/dbraw/zinc/24/91/71/598249171.db2.gz IWCXWFCOCMHKAP-VIFPVBQESA-N -1 3 377.474 0.799 20 0 GCADHM C[C@](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)(C(N)=O)c1ccccc1 ZINC000736132513 598249529 /nfs/dbraw/zinc/24/95/29/598249529.db2.gz OXSQLZVQPWIIQQ-LJQANCHMSA-N -1 3 379.424 0.473 20 0 GCADHM C[C@](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)(C(N)=O)c1ccccc1 ZINC000736132513 598249531 /nfs/dbraw/zinc/24/95/31/598249531.db2.gz OXSQLZVQPWIIQQ-LJQANCHMSA-N -1 3 379.424 0.473 20 0 GCADHM O=S(=O)(N1CCOCC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738328955 598252757 /nfs/dbraw/zinc/25/27/57/598252757.db2.gz LFXBGYDTYWZEED-UHFFFAOYSA-N -1 3 394.457 0.287 20 0 GCADHM O=S(=O)(N1CCOCC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738328955 598252759 /nfs/dbraw/zinc/25/27/59/598252759.db2.gz LFXBGYDTYWZEED-UHFFFAOYSA-N -1 3 394.457 0.287 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)[C@H](C)N1CCOCC1 ZINC000736131814 598253405 /nfs/dbraw/zinc/25/34/05/598253405.db2.gz SHEHPFKBJSNNPR-MNOVXSKESA-N -1 3 384.437 0.393 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)[C@H](C)N1CCOCC1 ZINC000736131814 598253407 /nfs/dbraw/zinc/25/34/07/598253407.db2.gz SHEHPFKBJSNNPR-MNOVXSKESA-N -1 3 384.437 0.393 20 0 GCADHM C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736191127 598255523 /nfs/dbraw/zinc/25/55/23/598255523.db2.gz IDZGURWCSGDFBJ-YFKPBYRVSA-N -1 3 392.836 0.989 20 0 GCADHM C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736191127 598255524 /nfs/dbraw/zinc/25/55/24/598255524.db2.gz IDZGURWCSGDFBJ-YFKPBYRVSA-N -1 3 392.836 0.989 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(c2cccnn2)CC1 ZINC000735562186 598257460 /nfs/dbraw/zinc/25/74/60/598257460.db2.gz ODPCZVPJWSZBPW-CYBMUJFWSA-N -1 3 379.428 0.806 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(c2cccnn2)CC1 ZINC000735562186 598257461 /nfs/dbraw/zinc/25/74/61/598257461.db2.gz ODPCZVPJWSZBPW-CYBMUJFWSA-N -1 3 379.428 0.806 20 0 GCADHM Cn1cccc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1=O ZINC000737614469 598259017 /nfs/dbraw/zinc/25/90/17/598259017.db2.gz VDIOLQOQTOPDDK-UHFFFAOYSA-N -1 3 383.387 0.667 20 0 GCADHM Cn1cccc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1=O ZINC000737614469 598259018 /nfs/dbraw/zinc/25/90/18/598259018.db2.gz VDIOLQOQTOPDDK-UHFFFAOYSA-N -1 3 383.387 0.667 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1 ZINC000737778120 598259824 /nfs/dbraw/zinc/25/98/24/598259824.db2.gz WYEQFCRFTKRBHG-CYBMUJFWSA-N -1 3 380.368 0.691 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1 ZINC000737778120 598259825 /nfs/dbraw/zinc/25/98/25/598259825.db2.gz WYEQFCRFTKRBHG-CYBMUJFWSA-N -1 3 380.368 0.691 20 0 GCADHM O=S(=O)(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341225 598261425 /nfs/dbraw/zinc/26/14/25/598261425.db2.gz DDQQGSARFBXVAJ-AWEZNQCLSA-N -1 3 385.453 0.815 20 0 GCADHM O=S(=O)(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341225 598261426 /nfs/dbraw/zinc/26/14/26/598261426.db2.gz DDQQGSARFBXVAJ-AWEZNQCLSA-N -1 3 385.453 0.815 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC(N2CCCC2=O)CC1 ZINC000738077187 598269672 /nfs/dbraw/zinc/26/96/72/598269672.db2.gz BLYVACGUPWROKC-UHFFFAOYSA-N -1 3 399.459 0.470 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC(N2CCCC2=O)CC1 ZINC000738077187 598269674 /nfs/dbraw/zinc/26/96/74/598269674.db2.gz BLYVACGUPWROKC-UHFFFAOYSA-N -1 3 399.459 0.470 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC(N2CCCC2=O)CC1 ZINC000738076493 598269737 /nfs/dbraw/zinc/26/97/37/598269737.db2.gz YNLVIKRIKXXUIX-UHFFFAOYSA-N -1 3 399.459 0.470 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC(N2CCCC2=O)CC1 ZINC000738076493 598269738 /nfs/dbraw/zinc/26/97/38/598269738.db2.gz YNLVIKRIKXXUIX-UHFFFAOYSA-N -1 3 399.459 0.470 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C[C@H]1CCCO1 ZINC000737002014 598270670 /nfs/dbraw/zinc/27/06/70/598270670.db2.gz JPPRXRZXNVNIHG-OAHLLOKOSA-N -1 3 381.458 0.824 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C[C@H]1CCCO1 ZINC000737002014 598270671 /nfs/dbraw/zinc/27/06/71/598270671.db2.gz JPPRXRZXNVNIHG-OAHLLOKOSA-N -1 3 381.458 0.824 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cn1 ZINC000737610780 598272450 /nfs/dbraw/zinc/27/24/50/598272450.db2.gz QVLPTIYOBSMYOW-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM Cc1cccnc1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737436376 598273550 /nfs/dbraw/zinc/27/35/50/598273550.db2.gz SEVGMQMXSCTEDZ-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM Cc1cccnc1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737436376 598273551 /nfs/dbraw/zinc/27/35/51/598273551.db2.gz SEVGMQMXSCTEDZ-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736413569 598273752 /nfs/dbraw/zinc/27/37/52/598273752.db2.gz SFYMWOLLJYETOU-ZDUSSCGKSA-N -1 3 378.458 0.936 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736413569 598273754 /nfs/dbraw/zinc/27/37/54/598273754.db2.gz SFYMWOLLJYETOU-ZDUSSCGKSA-N -1 3 378.458 0.936 20 0 GCADHM Cn1nccc1CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737629768 598282829 /nfs/dbraw/zinc/28/28/29/598282829.db2.gz ZZZRJJXKKACVHJ-UHFFFAOYSA-N -1 3 385.407 0.771 20 0 GCADHM C[C@H](NC(=O)NCCCN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116139 598285131 /nfs/dbraw/zinc/28/51/31/598285131.db2.gz CVDXSUJINCQPIA-LBPRGKRZSA-N -1 3 393.473 0.653 20 0 GCADHM C[C@H](NC(=O)NCCCN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116139 598285132 /nfs/dbraw/zinc/28/51/32/598285132.db2.gz CVDXSUJINCQPIA-LBPRGKRZSA-N -1 3 393.473 0.653 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc(-n2ccnc2)nn1 ZINC000738077558 598286248 /nfs/dbraw/zinc/28/62/48/598286248.db2.gz FRTCCGZRYXWFDI-UHFFFAOYSA-N -1 3 377.372 0.079 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc(-n2ccnc2)nn1 ZINC000738077558 598286249 /nfs/dbraw/zinc/28/62/49/598286249.db2.gz FRTCCGZRYXWFDI-UHFFFAOYSA-N -1 3 377.372 0.079 20 0 GCADHM CCOC(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736586608 598288098 /nfs/dbraw/zinc/28/80/98/598288098.db2.gz NXXCJKGWCXMWPH-JTQLQIEISA-N -1 3 382.398 0.276 20 0 GCADHM CCOC(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736586608 598288100 /nfs/dbraw/zinc/28/81/00/598288100.db2.gz NXXCJKGWCXMWPH-JTQLQIEISA-N -1 3 382.398 0.276 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737899072 598288102 /nfs/dbraw/zinc/28/81/02/598288102.db2.gz AOUGXXDEHANPDA-UHFFFAOYSA-N -1 3 384.396 0.085 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737899072 598288104 /nfs/dbraw/zinc/28/81/04/598288104.db2.gz AOUGXXDEHANPDA-UHFFFAOYSA-N -1 3 384.396 0.085 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737899817 598288877 /nfs/dbraw/zinc/28/88/77/598288877.db2.gz FUYBWKUICZODLS-UHFFFAOYSA-N -1 3 384.396 0.797 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737899817 598288879 /nfs/dbraw/zinc/28/88/79/598288879.db2.gz FUYBWKUICZODLS-UHFFFAOYSA-N -1 3 384.396 0.797 20 0 GCADHM O=C(COC[C@H]1CCCO1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737917060 598289109 /nfs/dbraw/zinc/28/91/09/598289109.db2.gz UHOVXPIKJGGKKS-CQSZACIVSA-N -1 3 390.419 0.850 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)CC1 ZINC000738018943 598289204 /nfs/dbraw/zinc/28/92/04/598289204.db2.gz GILUYYLRMSORKX-UHFFFAOYSA-N -1 3 399.430 0.713 20 0 GCADHM O=C(O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc2nncn2c1 ZINC000738214448 598290003 /nfs/dbraw/zinc/29/00/03/598290003.db2.gz MWKLGNXQHHUOKY-CQSZACIVSA-N -1 3 390.363 0.872 20 0 GCADHM O=C(O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc2nncn2c1 ZINC000738214448 598290004 /nfs/dbraw/zinc/29/00/04/598290004.db2.gz MWKLGNXQHHUOKY-CQSZACIVSA-N -1 3 390.363 0.872 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000737173958 598292191 /nfs/dbraw/zinc/29/21/91/598292191.db2.gz PLQWBXRHBXNQMX-UHFFFAOYSA-N -1 3 388.409 0.934 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000737173958 598292193 /nfs/dbraw/zinc/29/21/93/598292193.db2.gz PLQWBXRHBXNQMX-UHFFFAOYSA-N -1 3 388.409 0.934 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735594463 598293698 /nfs/dbraw/zinc/29/36/98/598293698.db2.gz RPVXCRZSPPSPNA-LBPRGKRZSA-N -1 3 390.448 0.616 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735594463 598293700 /nfs/dbraw/zinc/29/37/00/598293700.db2.gz RPVXCRZSPPSPNA-LBPRGKRZSA-N -1 3 390.448 0.616 20 0 GCADHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CCn2ccccc2=O)C1=O ZINC000736224671 598294273 /nfs/dbraw/zinc/29/42/73/598294273.db2.gz URHRTEFYGIZDNW-GOSISDBHSA-N -1 3 379.380 0.496 20 0 GCADHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CCn2ccccc2=O)C1=O ZINC000736224671 598294275 /nfs/dbraw/zinc/29/42/75/598294275.db2.gz URHRTEFYGIZDNW-GOSISDBHSA-N -1 3 379.380 0.496 20 0 GCADHM C[C@@H](NC(=O)CC1CCCCC1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736103656 598294544 /nfs/dbraw/zinc/29/45/44/598294544.db2.gz XPXIKHHQFIETIF-LLVKDONJSA-N -1 3 390.448 0.664 20 0 GCADHM C[C@@H](NC(=O)CC1CCCCC1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736103656 598294545 /nfs/dbraw/zinc/29/45/45/598294545.db2.gz XPXIKHHQFIETIF-LLVKDONJSA-N -1 3 390.448 0.664 20 0 GCADHM Cc1nn(C(F)F)c(C)c1CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737510086 598294774 /nfs/dbraw/zinc/29/47/74/598294774.db2.gz REFUXMDPPLIGDM-UHFFFAOYSA-N -1 3 381.347 0.640 20 0 GCADHM Cc1nn(C(F)F)c(C)c1CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737510086 598294776 /nfs/dbraw/zinc/29/47/76/598294776.db2.gz REFUXMDPPLIGDM-UHFFFAOYSA-N -1 3 381.347 0.640 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000737770577 598294922 /nfs/dbraw/zinc/29/49/22/598294922.db2.gz LLZPKDSEVSMJTG-UHFFFAOYSA-N -1 3 388.354 0.463 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000737770577 598294924 /nfs/dbraw/zinc/29/49/24/598294924.db2.gz LLZPKDSEVSMJTG-UHFFFAOYSA-N -1 3 388.354 0.463 20 0 GCADHM COC(=O)[C@H](C)CNC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736891767 598297256 /nfs/dbraw/zinc/29/72/56/598297256.db2.gz LBCWLKXRQHUPND-LLVKDONJSA-N -1 3 377.401 0.960 20 0 GCADHM COC(=O)[C@H](C)CNC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736891767 598297258 /nfs/dbraw/zinc/29/72/58/598297258.db2.gz LBCWLKXRQHUPND-LLVKDONJSA-N -1 3 377.401 0.960 20 0 GCADHM Cc1nnc(NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(-c2nnn[n-]2)c1C ZINC000737532014 598299292 /nfs/dbraw/zinc/29/92/92/598299292.db2.gz IEMQKHKNGWHAHX-GOSISDBHSA-N -1 3 393.411 0.940 20 0 GCADHM Cc1nnc(NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(-c2nn[n-]n2)c1C ZINC000737532014 598299294 /nfs/dbraw/zinc/29/92/94/598299294.db2.gz IEMQKHKNGWHAHX-GOSISDBHSA-N -1 3 393.411 0.940 20 0 GCADHM CCCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736472886 598300170 /nfs/dbraw/zinc/30/01/70/598300170.db2.gz VNXYYOPJLLJNLM-GFCCVEGCSA-N -1 3 396.498 0.799 20 0 GCADHM CCCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736472886 598300172 /nfs/dbraw/zinc/30/01/72/598300172.db2.gz VNXYYOPJLLJNLM-GFCCVEGCSA-N -1 3 396.498 0.799 20 0 GCADHM CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736658912 598300492 /nfs/dbraw/zinc/30/04/92/598300492.db2.gz MNJKBUBODSQAOL-CYBMUJFWSA-N -1 3 396.448 0.684 20 0 GCADHM CCS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736658912 598300494 /nfs/dbraw/zinc/30/04/94/598300494.db2.gz MNJKBUBODSQAOL-CYBMUJFWSA-N -1 3 396.448 0.684 20 0 GCADHM O=C([C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1)N1CCCC1 ZINC000737792548 598300908 /nfs/dbraw/zinc/30/09/08/598300908.db2.gz PQWUTCRBAUZVIZ-GFCCVEGCSA-N -1 3 394.482 0.553 20 0 GCADHM O=C([C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1)N1CCCC1 ZINC000737792548 598300910 /nfs/dbraw/zinc/30/09/10/598300910.db2.gz PQWUTCRBAUZVIZ-GFCCVEGCSA-N -1 3 394.482 0.553 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738343603 598300923 /nfs/dbraw/zinc/30/09/23/598300923.db2.gz SEIWYBMPHGHEJZ-WDEREUQCSA-N -1 3 398.876 0.662 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000735465344 598303030 /nfs/dbraw/zinc/30/30/30/598303030.db2.gz JBZAQPQJXJDYID-SFHVURJKSA-N -1 3 397.483 0.769 20 0 GCADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735685202 598306750 /nfs/dbraw/zinc/30/67/50/598306750.db2.gz RLLUWSJIUBLZNK-ZDUSSCGKSA-N -1 3 399.455 0.816 20 0 GCADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735685202 598306752 /nfs/dbraw/zinc/30/67/52/598306752.db2.gz RLLUWSJIUBLZNK-ZDUSSCGKSA-N -1 3 399.455 0.816 20 0 GCADHM CN1CC(=O)N(CCCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000736845418 598308726 /nfs/dbraw/zinc/30/87/26/598308726.db2.gz KOXDLJQWZIZOGP-UHFFFAOYSA-N -1 3 375.364 0.296 20 0 GCADHM CN1CC(=O)N(CCCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000736845418 598308728 /nfs/dbraw/zinc/30/87/28/598308728.db2.gz KOXDLJQWZIZOGP-UHFFFAOYSA-N -1 3 375.364 0.296 20 0 GCADHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736594135 598311749 /nfs/dbraw/zinc/31/17/49/598311749.db2.gz NZKDVWJDOCFPHH-CYBMUJFWSA-N -1 3 398.420 0.368 20 0 GCADHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736594135 598311751 /nfs/dbraw/zinc/31/17/51/598311751.db2.gz NZKDVWJDOCFPHH-CYBMUJFWSA-N 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0.795 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000736145152 598348984 /nfs/dbraw/zinc/34/89/84/598348984.db2.gz BNSTZJPLZXVVKD-PBHICJAKSA-N -1 3 388.472 0.795 20 0 GCADHM CC(C)c1nnc2n1CCN(C[C@H](O)COc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000735952651 598350797 /nfs/dbraw/zinc/35/07/97/598350797.db2.gz JSFUUNQTMNRIEA-AWEZNQCLSA-N -1 3 384.444 0.837 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000735561772 598352466 /nfs/dbraw/zinc/35/24/66/598352466.db2.gz LNEHLHAEAQMSIV-CJNGLKHVSA-N -1 3 382.428 0.791 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000735561772 598352468 /nfs/dbraw/zinc/35/24/68/598352468.db2.gz LNEHLHAEAQMSIV-CJNGLKHVSA-N -1 3 382.428 0.791 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000735563254 598352684 /nfs/dbraw/zinc/35/26/84/598352684.db2.gz SBEOIQUNIMNIPH-SWLSCSKDSA-N -1 3 383.416 0.186 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000735563254 598352686 /nfs/dbraw/zinc/35/26/86/598352686.db2.gz SBEOIQUNIMNIPH-SWLSCSKDSA-N -1 3 383.416 0.186 20 0 GCADHM O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737883434 598353699 /nfs/dbraw/zinc/35/36/99/598353699.db2.gz QEGCPHRNSPPBKY-MRXNPFEDSA-N -1 3 382.428 0.080 20 0 GCADHM O=C(CN1CCO[C@@H](Cn2cccn2)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737883434 598353701 /nfs/dbraw/zinc/35/37/01/598353701.db2.gz QEGCPHRNSPPBKY-MRXNPFEDSA-N -1 3 382.428 0.080 20 0 GCADHM Cc1oc(NC(=O)CN2CCO[C@@H](Cn3cccn3)C2)c(-c2nnn[n-]2)c1C ZINC000737552411 598353746 /nfs/dbraw/zinc/35/37/46/598353746.db2.gz PIJCIKDDHNMPEU-CYBMUJFWSA-N -1 3 386.416 0.613 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000736934743 598357960 /nfs/dbraw/zinc/35/79/60/598357960.db2.gz CLMSVLQEJNYNON-NSHDSACASA-N -1 3 389.420 0.204 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000736934743 598357961 /nfs/dbraw/zinc/35/79/61/598357961.db2.gz CLMSVLQEJNYNON-NSHDSACASA-N -1 3 389.420 0.204 20 0 GCADHM COc1ccc(CN2C[C@H](C(=O)n3ncc(-c4nnn[n-]4)c3N)CC2=O)cc1 ZINC000737090035 598358415 /nfs/dbraw/zinc/35/84/15/598358415.db2.gz ACPRBKOTDDXNAY-LLVKDONJSA-N -1 3 382.384 0.343 20 0 GCADHM Cn1cc(CN2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)cn1 ZINC000737602239 598362387 /nfs/dbraw/zinc/36/23/87/598362387.db2.gz OINKRWMCWKSFMI-UHFFFAOYSA-N -1 3 382.428 0.323 20 0 GCADHM Cn1cc(CN2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000737602239 598362389 /nfs/dbraw/zinc/36/23/89/598362389.db2.gz OINKRWMCWKSFMI-UHFFFAOYSA-N -1 3 382.428 0.323 20 0 GCADHM O=C(NCCn1cncn1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738095480 598362816 /nfs/dbraw/zinc/36/28/16/598362816.db2.gz WBNWOGMIFSQLAK-UHFFFAOYSA-N -1 3 386.395 0.129 20 0 GCADHM CCc1nnc2n1CCN([C@@H]1CCN(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000736710244 598366634 /nfs/dbraw/zinc/36/66/34/598366634.db2.gz GINUEOSUHQDQMZ-CQSZACIVSA-N -1 3 379.428 0.642 20 0 GCADHM CCc1nnc2n1CCN([C@@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000736710244 598366635 /nfs/dbraw/zinc/36/66/35/598366635.db2.gz GINUEOSUHQDQMZ-CQSZACIVSA-N -1 3 379.428 0.642 20 0 GCADHM Nc1cc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc(Cl)n1 ZINC000737773902 598367380 /nfs/dbraw/zinc/36/73/80/598367380.db2.gz NDYNJMDEVNBLHM-UHFFFAOYSA-N -1 3 385.819 0.855 20 0 GCADHM Nc1cc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc(Cl)n1 ZINC000737773902 598367381 /nfs/dbraw/zinc/36/73/81/598367381.db2.gz NDYNJMDEVNBLHM-UHFFFAOYSA-N -1 3 385.819 0.855 20 0 GCADHM Cc1cnn(C[C@H]2CN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737441778 598367818 /nfs/dbraw/zinc/36/78/18/598367818.db2.gz BHZXYLSMVPNDKO-QGZVFWFLSA-N -1 3 396.455 0.389 20 0 GCADHM Cc1cnn(C[C@H]2CN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737441778 598367820 /nfs/dbraw/zinc/36/78/20/598367820.db2.gz BHZXYLSMVPNDKO-QGZVFWFLSA-N -1 3 396.455 0.389 20 0 GCADHM Cc1nc(SCC(=O)N2CCCNC(=O)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737482641 598368274 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Cc1nnc2ccc(C(=O)OCC(=O)NCc3ccc(-c4nnn[n-]4)cc3)cn12 ZINC000737533613 598371654 /nfs/dbraw/zinc/37/16/54/598371654.db2.gz OFRGCCRHXWXJGC-UHFFFAOYSA-N -1 3 392.379 0.691 20 0 GCADHM Cc1nnc2ccc(C(=O)OCC(=O)NCc3ccc(-c4nn[n-]n4)cc3)cn12 ZINC000737533613 598371656 /nfs/dbraw/zinc/37/16/56/598371656.db2.gz OFRGCCRHXWXJGC-UHFFFAOYSA-N -1 3 392.379 0.691 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737616203 598373095 /nfs/dbraw/zinc/37/30/95/598373095.db2.gz PGUDRCUKOQMMRK-UHFFFAOYSA-N -1 3 381.444 0.628 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737616203 598373097 /nfs/dbraw/zinc/37/30/97/598373097.db2.gz PGUDRCUKOQMMRK-UHFFFAOYSA-N -1 3 381.444 0.628 20 0 GCADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CN1CCn2c(nnc2C2CC2)C1 ZINC000738389089 598375993 /nfs/dbraw/zinc/37/59/93/598375993.db2.gz WIECTSXXMFVMGZ-CQSZACIVSA-N -1 3 382.428 0.591 20 0 GCADHM CC[C@@H](O)CN1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736382163 598376672 /nfs/dbraw/zinc/37/66/72/598376672.db2.gz LNEZFMVRSUKSEJ-CQSZACIVSA-N -1 3 376.486 0.874 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736609202 598377234 /nfs/dbraw/zinc/37/72/34/598377234.db2.gz OZANJYYMUAFTJZ-QGZVFWFLSA-N -1 3 388.472 0.341 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736610234 598377310 /nfs/dbraw/zinc/37/73/10/598377310.db2.gz VIFZYGMTPWXDSO-WAVCKPEOSA-N -1 3 386.456 0.422 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736610234 598377312 /nfs/dbraw/zinc/37/73/12/598377312.db2.gz VIFZYGMTPWXDSO-WAVCKPEOSA-N -1 3 386.456 0.422 20 0 GCADHM C[C@H]1Cc2cc(C(=O)Nc3ccncc3-c3nnn[n-]3)ccc2N1S(C)(=O)=O ZINC000736300601 598380312 /nfs/dbraw/zinc/38/03/12/598380312.db2.gz ZDOGYNMQWNPGIC-JTQLQIEISA-N -1 3 399.436 0.647 20 0 GCADHM C[C@H]1Cc2cc(C(=O)Nc3ccncc3-c3nn[n-]n3)ccc2N1S(C)(=O)=O ZINC000736300601 598380313 /nfs/dbraw/zinc/38/03/13/598380313.db2.gz ZDOGYNMQWNPGIC-JTQLQIEISA-N -1 3 399.436 0.647 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000738198600 598381392 /nfs/dbraw/zinc/38/13/92/598381392.db2.gz XJWYIOGBGNCVIR-UHFFFAOYSA-N -1 3 394.370 0.940 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000738198600 598381395 /nfs/dbraw/zinc/38/13/95/598381395.db2.gz XJWYIOGBGNCVIR-UHFFFAOYSA-N -1 3 394.370 0.940 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000738198001 598381557 /nfs/dbraw/zinc/38/15/57/598381557.db2.gz UNBKMWKPHVDCAE-VIFPVBQESA-N -1 3 385.334 0.953 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000738198001 598381558 /nfs/dbraw/zinc/38/15/58/598381558.db2.gz UNBKMWKPHVDCAE-VIFPVBQESA-N -1 3 385.334 0.953 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(Cc2nccn2C)CC1 ZINC000735560777 598382467 /nfs/dbraw/zinc/38/24/67/598382467.db2.gz HBMRESSSLLBXNA-AWEZNQCLSA-N -1 3 395.471 0.745 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(Cc2nccn2C)CC1 ZINC000735560777 598382469 /nfs/dbraw/zinc/38/24/69/598382469.db2.gz HBMRESSSLLBXNA-AWEZNQCLSA-N -1 3 395.471 0.745 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(Cc2nccn2C)CC1 ZINC000735561180 598382578 /nfs/dbraw/zinc/38/25/78/598382578.db2.gz ITMPDMBRITYLFT-CQSZACIVSA-N -1 3 395.471 0.745 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(Cc2nccn2C)CC1 ZINC000735561180 598382579 /nfs/dbraw/zinc/38/25/79/598382579.db2.gz ITMPDMBRITYLFT-CQSZACIVSA-N -1 3 395.471 0.745 20 0 GCADHM CN(C(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736731737 598384181 /nfs/dbraw/zinc/38/41/81/598384181.db2.gz GMTDUJIPQGDRBE-AWEZNQCLSA-N -1 3 387.469 0.801 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000738044489 598384804 /nfs/dbraw/zinc/38/48/04/598384804.db2.gz KIIJTQUOMNMTHM-AWEZNQCLSA-N -1 3 387.469 0.706 20 0 GCADHM CCOC(=O)C1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736594087 598397838 /nfs/dbraw/zinc/39/78/38/598397838.db2.gz NKGRQDPIPLYXOV-UHFFFAOYSA-N -1 3 386.412 0.398 20 0 GCADHM CCOC(=O)C1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736594087 598397839 /nfs/dbraw/zinc/39/78/39/598397839.db2.gz NKGRQDPIPLYXOV-UHFFFAOYSA-N -1 3 386.412 0.398 20 0 GCADHM CN1CCc2nc(NC(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)sc2C1 ZINC000736867706 598398682 /nfs/dbraw/zinc/39/86/82/598398682.db2.gz MODKDSATQUBLEA-UHFFFAOYSA-N -1 3 398.452 0.680 20 0 GCADHM CN1CCc2nc(NC(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)sc2C1 ZINC000736867706 598398683 /nfs/dbraw/zinc/39/86/83/598398683.db2.gz MODKDSATQUBLEA-UHFFFAOYSA-N -1 3 398.452 0.680 20 0 GCADHM CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736821496 598398691 /nfs/dbraw/zinc/39/86/91/598398691.db2.gz XHPYWJXNWBQJOC-UHFFFAOYSA-N -1 3 394.391 0.984 20 0 GCADHM CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736821496 598398692 /nfs/dbraw/zinc/39/86/92/598398692.db2.gz XHPYWJXNWBQJOC-UHFFFAOYSA-N -1 3 394.391 0.984 20 0 GCADHM COc1ccccc1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737150304 598398706 /nfs/dbraw/zinc/39/87/06/598398706.db2.gz NATUUINEKYCFNJ-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM COc1ccccc1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737150304 598398707 /nfs/dbraw/zinc/39/87/07/598398707.db2.gz NATUUINEKYCFNJ-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)CCN1c1nccn2cnnc12 ZINC000820741349 607356083 /nfs/dbraw/zinc/35/60/83/607356083.db2.gz CFPQGWSLQDEHRS-SNVBAGLBSA-N -1 3 396.440 0.717 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cs2)CCN1c1nccn2cnnc12 ZINC000820741349 607356084 /nfs/dbraw/zinc/35/60/84/607356084.db2.gz CFPQGWSLQDEHRS-SNVBAGLBSA-N -1 3 396.440 0.717 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000737890123 598400386 /nfs/dbraw/zinc/40/03/86/598400386.db2.gz SXKMKAKTRDOKFQ-HNNXBMFYSA-N -1 3 393.407 0.891 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000737890123 598400387 /nfs/dbraw/zinc/40/03/87/598400387.db2.gz SXKMKAKTRDOKFQ-HNNXBMFYSA-N -1 3 393.407 0.891 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H](O)c1ccc(F)cc1 ZINC000737888355 598402119 /nfs/dbraw/zinc/40/21/19/598402119.db2.gz BBJUQGSJWKXMFS-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)c1ccc(F)cc1 ZINC000737888355 598402120 /nfs/dbraw/zinc/40/21/20/598402120.db2.gz BBJUQGSJWKXMFS-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM CN(C)c1ncccc1CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736779739 598402646 /nfs/dbraw/zinc/40/26/46/598402646.db2.gz PBUJBNWWOPZLCC-UHFFFAOYSA-N -1 3 380.412 0.374 20 0 GCADHM CN(C)c1ncccc1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736779739 598402648 /nfs/dbraw/zinc/40/26/48/598402648.db2.gz PBUJBNWWOPZLCC-UHFFFAOYSA-N -1 3 380.412 0.374 20 0 GCADHM Cc1ccc([C@@H](O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737320046 598403357 /nfs/dbraw/zinc/40/33/57/598403357.db2.gz MAHDMAGZKCSZQD-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1ccc([C@@H](O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737320046 598403358 /nfs/dbraw/zinc/40/33/58/598403358.db2.gz MAHDMAGZKCSZQD-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1ccc([C@H](O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737320047 598403363 /nfs/dbraw/zinc/40/33/63/598403363.db2.gz MAHDMAGZKCSZQD-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1ccc([C@H](O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737320047 598403364 /nfs/dbraw/zinc/40/33/64/598403364.db2.gz MAHDMAGZKCSZQD-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM COC(=O)CCN(CC(C)C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736912498 598403406 /nfs/dbraw/zinc/40/34/06/598403406.db2.gz DNGMNAUQCBTRIT-UHFFFAOYSA-N -1 3 388.428 0.644 20 0 GCADHM COC(=O)CCN(CC(C)C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736912498 598403407 /nfs/dbraw/zinc/40/34/07/598403407.db2.gz DNGMNAUQCBTRIT-UHFFFAOYSA-N -1 3 388.428 0.644 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000736104611 598405978 /nfs/dbraw/zinc/40/59/78/598405978.db2.gz HIMMFEGLMFANFI-STQMWFEESA-N -1 3 399.455 0.502 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000736104611 598405980 /nfs/dbraw/zinc/40/59/80/598405980.db2.gz HIMMFEGLMFANFI-STQMWFEESA-N -1 3 399.455 0.502 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000736104610 598406031 /nfs/dbraw/zinc/40/60/31/598406031.db2.gz HIMMFEGLMFANFI-QWHCGFSZSA-N -1 3 399.455 0.502 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000736104610 598406032 /nfs/dbraw/zinc/40/60/32/598406032.db2.gz HIMMFEGLMFANFI-QWHCGFSZSA-N -1 3 399.455 0.502 20 0 GCADHM Cn1c2cc(NC(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc2oc1=O ZINC000737588499 598406787 /nfs/dbraw/zinc/40/67/87/598406787.db2.gz ITTUVQDFOJYOCV-UHFFFAOYSA-N -1 3 393.363 0.680 20 0 GCADHM Cn1c2cc(NC(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc2oc1=O ZINC000737588499 598406789 /nfs/dbraw/zinc/40/67/89/598406789.db2.gz ITTUVQDFOJYOCV-UHFFFAOYSA-N -1 3 393.363 0.680 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(CCOc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000738358035 598406890 /nfs/dbraw/zinc/40/68/90/598406890.db2.gz UQCOFMZCNYJHDX-OAHLLOKOSA-N -1 3 392.485 0.050 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc2c(c1)C(=O)NC2 ZINC000737890113 598407118 /nfs/dbraw/zinc/40/71/18/598407118.db2.gz SFSNQXWPJJZQGW-UHFFFAOYSA-N -1 3 377.364 0.479 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(c1)C(=O)NC2 ZINC000737890113 598407120 /nfs/dbraw/zinc/40/71/20/598407120.db2.gz SFSNQXWPJJZQGW-UHFFFAOYSA-N -1 3 377.364 0.479 20 0 GCADHM CN(C)C(=O)c1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736754045 598407764 /nfs/dbraw/zinc/40/77/64/598407764.db2.gz TUORHLAASGPBNK-UHFFFAOYSA-N -1 3 393.407 0.937 20 0 GCADHM CN(C)C(=O)c1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736754045 598407765 /nfs/dbraw/zinc/40/77/65/598407765.db2.gz TUORHLAASGPBNK-UHFFFAOYSA-N -1 3 393.407 0.937 20 0 GCADHM Cc1ccc(C(N)=O)cc1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737320382 598408762 /nfs/dbraw/zinc/40/87/62/598408762.db2.gz PZWHKLBEKNAWFA-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM Cc1ccc(C(N)=O)cc1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737320382 598408764 /nfs/dbraw/zinc/40/87/64/598408764.db2.gz PZWHKLBEKNAWFA-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000735467298 598409394 /nfs/dbraw/zinc/40/93/94/598409394.db2.gz MAWMDBPAQKGRKK-SNVBAGLBSA-N -1 3 394.413 0.480 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735467647 598409691 /nfs/dbraw/zinc/40/96/91/598409691.db2.gz SQMCCMVETAPAAX-LBPRGKRZSA-N -1 3 376.398 0.270 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735467647 598409692 /nfs/dbraw/zinc/40/96/92/598409692.db2.gz SQMCCMVETAPAAX-LBPRGKRZSA-N -1 3 376.398 0.270 20 0 GCADHM CCC[C@H](C)NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736423811 598410015 /nfs/dbraw/zinc/41/00/15/598410015.db2.gz OIUKXVUFXUWKLN-RYUDHWBXSA-N -1 3 388.428 0.833 20 0 GCADHM CCC[C@H](C)NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736423811 598410017 /nfs/dbraw/zinc/41/00/17/598410017.db2.gz OIUKXVUFXUWKLN-RYUDHWBXSA-N -1 3 388.428 0.833 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736305765 598410196 /nfs/dbraw/zinc/41/01/96/598410196.db2.gz VXRKMUZYVQBUBX-LBPRGKRZSA-N -1 3 390.425 0.660 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736305765 598410197 /nfs/dbraw/zinc/41/01/97/598410197.db2.gz VXRKMUZYVQBUBX-LBPRGKRZSA-N -1 3 390.425 0.660 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1nccn1C(F)F ZINC000737892101 598410739 /nfs/dbraw/zinc/41/07/39/598410739.db2.gz UGRLJTJJAPVEEX-UHFFFAOYSA-N -1 3 377.311 0.932 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1nccn1C(F)F ZINC000737892101 598410741 /nfs/dbraw/zinc/41/07/41/598410741.db2.gz UGRLJTJJAPVEEX-UHFFFAOYSA-N -1 3 377.311 0.932 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCCC1 ZINC000736154775 598410777 /nfs/dbraw/zinc/41/07/77/598410777.db2.gz CAHJXXZARJGFQR-NSHDSACASA-N -1 3 386.412 0.587 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCCC1 ZINC000736154775 598410779 /nfs/dbraw/zinc/41/07/79/598410779.db2.gz CAHJXXZARJGFQR-NSHDSACASA-N -1 3 386.412 0.587 20 0 GCADHM C[C@@H]1CCCN(C(=O)COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736269187 598411354 /nfs/dbraw/zinc/41/13/54/598411354.db2.gz ZULMGGFSCGXDBR-GFCCVEGCSA-N -1 3 386.412 0.398 20 0 GCADHM C[C@@H]1CCCN(C(=O)COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736269187 598411356 /nfs/dbraw/zinc/41/13/56/598411356.db2.gz ZULMGGFSCGXDBR-GFCCVEGCSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1nnsc1Cl ZINC000737891989 598411599 /nfs/dbraw/zinc/41/15/99/598411599.db2.gz PWWGKAHGNGYZHG-UHFFFAOYSA-N -1 3 379.789 0.845 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1nnsc1Cl ZINC000737891989 598411600 /nfs/dbraw/zinc/41/16/00/598411600.db2.gz PWWGKAHGNGYZHG-UHFFFAOYSA-N -1 3 379.789 0.845 20 0 GCADHM Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)[nH]1 ZINC000737227343 598411642 /nfs/dbraw/zinc/41/16/42/598411642.db2.gz JZPKVWYXEUHHLT-UHFFFAOYSA-N -1 3 382.380 0.968 20 0 GCADHM Cc1cc(C(=O)COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)[nH]1 ZINC000737227343 598411644 /nfs/dbraw/zinc/41/16/44/598411644.db2.gz JZPKVWYXEUHHLT-UHFFFAOYSA-N -1 3 382.380 0.968 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1cn2c(n1)CCCC2 ZINC000737057954 598413317 /nfs/dbraw/zinc/41/33/17/598413317.db2.gz KHULNFYUUBSATK-UHFFFAOYSA-N -1 3 396.411 0.663 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000736170261 598422393 /nfs/dbraw/zinc/42/23/93/598422393.db2.gz SDZYRIIBMGQGFM-LBPRGKRZSA-N -1 3 391.395 0.926 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCc1nnnn1-c1ccccc1 ZINC000737894773 598425189 /nfs/dbraw/zinc/42/51/89/598425189.db2.gz KDRBZTUGJCYOLB-UHFFFAOYSA-N -1 3 376.384 0.571 20 0 GCADHM CC(C)OCCN1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000735904062 598429556 /nfs/dbraw/zinc/42/95/56/598429556.db2.gz KSLYWFOOISEVMX-UHFFFAOYSA-N -1 3 380.474 0.598 20 0 GCADHM CC(C)OCCN1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000735904062 598429557 /nfs/dbraw/zinc/42/95/57/598429557.db2.gz KSLYWFOOISEVMX-UHFFFAOYSA-N -1 3 380.474 0.598 20 0 GCADHM Cc1noc(CNC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737544903 598432309 /nfs/dbraw/zinc/43/23/09/598432309.db2.gz BZZOUSFYJBWVRC-UHFFFAOYSA-N -1 3 383.416 0.586 20 0 GCADHM Cc1noc(CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC000737544782 598432349 /nfs/dbraw/zinc/43/23/49/598432349.db2.gz ANIIVMIVYFKZPD-UHFFFAOYSA-N -1 3 387.379 0.729 20 0 GCADHM CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736783967 598432872 /nfs/dbraw/zinc/43/28/72/598432872.db2.gz UWQWDHXTCAMRCC-UHFFFAOYSA-N -1 3 397.443 0.621 20 0 GCADHM CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736783967 598432873 /nfs/dbraw/zinc/43/28/73/598432873.db2.gz UWQWDHXTCAMRCC-UHFFFAOYSA-N -1 3 397.443 0.621 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)N1CCOCC1 ZINC000736019501 598434141 /nfs/dbraw/zinc/43/41/41/598434141.db2.gz GOAMRHGOUGWPAB-LBPRGKRZSA-N -1 3 397.443 0.085 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)N1CCOCC1 ZINC000736019501 598434143 /nfs/dbraw/zinc/43/41/43/598434143.db2.gz GOAMRHGOUGWPAB-LBPRGKRZSA-N -1 3 397.443 0.085 20 0 GCADHM CC(C)NC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735884276 598434185 /nfs/dbraw/zinc/43/41/85/598434185.db2.gz JLKIRCLCXMQGES-UHFFFAOYSA-N -1 3 383.416 0.279 20 0 GCADHM CC(C)NC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735884276 598434186 /nfs/dbraw/zinc/43/41/86/598434186.db2.gz JLKIRCLCXMQGES-UHFFFAOYSA-N -1 3 383.416 0.279 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736831744 598434527 /nfs/dbraw/zinc/43/45/27/598434527.db2.gz TVVYLGDYPQUJKF-UHFFFAOYSA-N -1 3 378.400 0.640 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736831744 598434529 /nfs/dbraw/zinc/43/45/29/598434529.db2.gz TVVYLGDYPQUJKF-UHFFFAOYSA-N -1 3 378.400 0.640 20 0 GCADHM NC(=O)CC1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000737748184 598435155 /nfs/dbraw/zinc/43/51/55/598435155.db2.gz PACMZTRDAXOJGQ-UHFFFAOYSA-N -1 3 395.427 0.362 20 0 GCADHM NC(=O)CC1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000737748184 598435157 /nfs/dbraw/zinc/43/51/57/598435157.db2.gz PACMZTRDAXOJGQ-UHFFFAOYSA-N -1 3 395.427 0.362 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCCn2cncn2)cc1 ZINC000737776363 598435321 /nfs/dbraw/zinc/43/53/21/598435321.db2.gz LHJXTHHNXZORSA-UHFFFAOYSA-N -1 3 379.388 0.046 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCCn2cncn2)cc1 ZINC000737776363 598435322 /nfs/dbraw/zinc/43/53/22/598435322.db2.gz LHJXTHHNXZORSA-UHFFFAOYSA-N -1 3 379.388 0.046 20 0 GCADHM CCCN(CC(=O)NC)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736469139 598436247 /nfs/dbraw/zinc/43/62/47/598436247.db2.gz FWJLACMKKUBKLE-UHFFFAOYSA-N -1 3 383.416 0.233 20 0 GCADHM CCCN(CC(=O)NC)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736469139 598436248 /nfs/dbraw/zinc/43/62/48/598436248.db2.gz FWJLACMKKUBKLE-UHFFFAOYSA-N -1 3 383.416 0.233 20 0 GCADHM CN(CCN1CCOCC1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736799300 598438197 /nfs/dbraw/zinc/43/81/97/598438197.db2.gz QYFFGKINQRGPHV-UHFFFAOYSA-N -1 3 397.443 0.039 20 0 GCADHM CN(CCN1CCOCC1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736799300 598438199 /nfs/dbraw/zinc/43/81/99/598438199.db2.gz QYFFGKINQRGPHV-UHFFFAOYSA-N -1 3 397.443 0.039 20 0 GCADHM CNC(=O)C1(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCCC1 ZINC000736871302 598438203 /nfs/dbraw/zinc/43/82/03/598438203.db2.gz NYMBXMSRGFOAMD-UHFFFAOYSA-N -1 3 395.427 0.423 20 0 GCADHM CNC(=O)C1(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCCC1 ZINC000736871302 598438204 /nfs/dbraw/zinc/43/82/04/598438204.db2.gz NYMBXMSRGFOAMD-UHFFFAOYSA-N -1 3 395.427 0.423 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000736170068 598443348 /nfs/dbraw/zinc/44/33/48/598443348.db2.gz REZNPLDLVPYDGB-NSHDSACASA-N -1 3 384.400 0.557 20 0 GCADHM CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736879608 598443677 /nfs/dbraw/zinc/44/36/77/598443677.db2.gz WMALPSGMHPYNBD-UHFFFAOYSA-N -1 3 383.368 0.891 20 0 GCADHM CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736879608 598443679 /nfs/dbraw/zinc/44/36/79/598443679.db2.gz WMALPSGMHPYNBD-UHFFFAOYSA-N -1 3 383.368 0.891 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738074645 598444620 /nfs/dbraw/zinc/44/46/20/598444620.db2.gz LHZCZPLDIGQKKG-UHFFFAOYSA-N -1 3 387.425 0.111 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738074645 598444621 /nfs/dbraw/zinc/44/46/21/598444621.db2.gz LHZCZPLDIGQKKG-UHFFFAOYSA-N -1 3 387.425 0.111 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825164772 607357030 /nfs/dbraw/zinc/35/70/30/607357030.db2.gz ISQIVODSLPBARU-KRWDZBQOSA-N -1 3 386.368 0.313 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825164772 607357032 /nfs/dbraw/zinc/35/70/32/607357032.db2.gz ISQIVODSLPBARU-KRWDZBQOSA-N -1 3 386.368 0.313 20 0 GCADHM CCOCCO[C@H](C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736624265 598447193 /nfs/dbraw/zinc/44/71/93/598447193.db2.gz TXSRRHCVUULCDR-CYBMUJFWSA-N -1 3 389.460 0.788 20 0 GCADHM CCOCCO[C@H](C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736624265 598447195 /nfs/dbraw/zinc/44/71/95/598447195.db2.gz TXSRRHCVUULCDR-CYBMUJFWSA-N -1 3 389.460 0.788 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc2nncn2c1 ZINC000738032637 598449566 /nfs/dbraw/zinc/44/95/66/598449566.db2.gz QXFVLMSDKOWBCM-UHFFFAOYSA-N -1 3 390.411 0.703 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc2nncn2c1 ZINC000738032637 598449568 /nfs/dbraw/zinc/44/95/68/598449568.db2.gz QXFVLMSDKOWBCM-UHFFFAOYSA-N -1 3 390.411 0.703 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000737789948 598454106 /nfs/dbraw/zinc/45/41/06/598454106.db2.gz DRNHEFAKLGFSMF-LBPRGKRZSA-N -1 3 391.482 0.352 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CSC[C@H]1C(=O)N1CCSCC1 ZINC000737789948 598454107 /nfs/dbraw/zinc/45/41/07/598454107.db2.gz DRNHEFAKLGFSMF-LBPRGKRZSA-N -1 3 391.482 0.352 20 0 GCADHM Cc1noc(CCCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737533434 598455252 /nfs/dbraw/zinc/45/52/52/598455252.db2.gz AJBANONVJCOPFJ-UHFFFAOYSA-N -1 3 390.791 0.899 20 0 GCADHM Cc1noc(CCCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737533434 598455254 /nfs/dbraw/zinc/45/52/54/598455254.db2.gz AJBANONVJCOPFJ-UHFFFAOYSA-N -1 3 390.791 0.899 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735587267 598455817 /nfs/dbraw/zinc/45/58/17/598455817.db2.gz RUVCAMRFFMUPFT-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735587267 598455819 /nfs/dbraw/zinc/45/58/19/598455819.db2.gz RUVCAMRFFMUPFT-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CCCCN(C)S(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736453557 598464105 /nfs/dbraw/zinc/46/41/05/598464105.db2.gz QMGYJAZQFHYVQP-UHFFFAOYSA-N -1 3 394.505 0.797 20 0 GCADHM CCCCN(C)S(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736453557 598464106 /nfs/dbraw/zinc/46/41/06/598464106.db2.gz QMGYJAZQFHYVQP-UHFFFAOYSA-N -1 3 394.505 0.797 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000735466228 598466716 /nfs/dbraw/zinc/46/67/16/598466716.db2.gz SEKGORNYZRZKOP-UHFFFAOYSA-N -1 3 379.371 0.638 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000735466228 598466718 /nfs/dbraw/zinc/46/67/18/598466718.db2.gz SEKGORNYZRZKOP-UHFFFAOYSA-N -1 3 379.371 0.638 20 0 GCADHM CCOCCN(CC)CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736618842 598467402 /nfs/dbraw/zinc/46/74/02/598467402.db2.gz MUPRPHSYEOWFEH-UHFFFAOYSA-N -1 3 387.444 0.947 20 0 GCADHM NC(=O)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)Cc1ccccc1Cl ZINC000737729651 598467942 /nfs/dbraw/zinc/46/79/42/598467942.db2.gz ACZNOTBCAOPOLG-LBPRGKRZSA-N -1 3 385.815 0.989 20 0 GCADHM NC(=O)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)Cc1ccccc1Cl ZINC000737729651 598467943 /nfs/dbraw/zinc/46/79/43/598467943.db2.gz ACZNOTBCAOPOLG-LBPRGKRZSA-N -1 3 385.815 0.989 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737745599 598467994 /nfs/dbraw/zinc/46/79/94/598467994.db2.gz PVIGAWNNCCBYLD-QGZVFWFLSA-N -1 3 377.408 0.890 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737740630 598468089 /nfs/dbraw/zinc/46/80/89/598468089.db2.gz AKOMEFRESGFDJN-KRWDZBQOSA-N -1 3 378.392 0.857 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737740630 598468091 /nfs/dbraw/zinc/46/80/91/598468091.db2.gz AKOMEFRESGFDJN-KRWDZBQOSA-N -1 3 378.392 0.857 20 0 GCADHM Cc1nccc(CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737498630 598470090 /nfs/dbraw/zinc/47/00/90/598470090.db2.gz JJHRWJANTWUKTA-UHFFFAOYSA-N -1 3 394.443 0.828 20 0 GCADHM Cc1nccc(CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737498630 598470092 /nfs/dbraw/zinc/47/00/92/598470092.db2.gz JJHRWJANTWUKTA-UHFFFAOYSA-N -1 3 394.443 0.828 20 0 GCADHM Cc1noc(CCCNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000737535751 598470376 /nfs/dbraw/zinc/47/03/76/598470376.db2.gz XVHKFNIWSNMCOX-UHFFFAOYSA-N -1 3 398.431 0.418 20 0 GCADHM Cc1noc(CCCNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000737535751 598470377 /nfs/dbraw/zinc/47/03/77/598470377.db2.gz XVHKFNIWSNMCOX-UHFFFAOYSA-N -1 3 398.431 0.418 20 0 GCADHM CC(=O)N[C@@H](CC(=O)n1ncc(-c2nnn[n-]2)c1N)c1c(F)cccc1F ZINC000735473961 598470662 /nfs/dbraw/zinc/47/06/62/598470662.db2.gz DGPRYPFJTVNFEA-NSHDSACASA-N -1 3 376.327 0.831 20 0 GCADHM O=C(NCCCn1cncn1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738076657 598470843 /nfs/dbraw/zinc/47/08/43/598470843.db2.gz WZHQCBPFCFSJPW-UHFFFAOYSA-N -1 3 397.447 0.212 20 0 GCADHM O=C(NCCCn1cncn1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738076657 598470844 /nfs/dbraw/zinc/47/08/44/598470844.db2.gz WZHQCBPFCFSJPW-UHFFFAOYSA-N -1 3 397.447 0.212 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@H]1CCC[C@H](O)C1 ZINC000738031305 598471797 /nfs/dbraw/zinc/47/17/97/598471797.db2.gz DNLUSFYDBMQWPS-GJZGRUSLSA-N -1 3 386.460 0.833 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@H]1CCC[C@H](O)C1 ZINC000738031305 598471799 /nfs/dbraw/zinc/47/17/99/598471799.db2.gz DNLUSFYDBMQWPS-GJZGRUSLSA-N -1 3 386.460 0.833 20 0 GCADHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000819899331 607357938 /nfs/dbraw/zinc/35/79/38/607357938.db2.gz RXOQGDIRGBVUKE-LLVKDONJSA-N -1 3 397.461 0.181 20 0 GCADHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000819899331 607357939 /nfs/dbraw/zinc/35/79/39/607357939.db2.gz RXOQGDIRGBVUKE-LLVKDONJSA-N -1 3 397.461 0.181 20 0 GCADHM O=C(CNC(=O)c1ccc(O)cc1)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737891462 598473045 /nfs/dbraw/zinc/47/30/45/598473045.db2.gz MSAMVNNWSHFLOC-UHFFFAOYSA-N -1 3 383.364 0.924 20 0 GCADHM O=C(CNC(=O)c1ccc(O)cc1)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737891462 598473046 /nfs/dbraw/zinc/47/30/46/598473046.db2.gz MSAMVNNWSHFLOC-UHFFFAOYSA-N -1 3 383.364 0.924 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cn1 ZINC000738042637 598474572 /nfs/dbraw/zinc/47/45/72/598474572.db2.gz ZARFOOOXPKBNOY-LLVKDONJSA-N -1 3 384.352 0.160 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cn1 ZINC000738042637 598474573 /nfs/dbraw/zinc/47/45/73/598474573.db2.gz ZARFOOOXPKBNOY-LLVKDONJSA-N -1 3 384.352 0.160 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736910649 598474570 /nfs/dbraw/zinc/47/45/70/598474570.db2.gz QEDVUFATSRRONT-ZJUUUORDSA-N -1 3 379.760 0.811 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736910649 598474571 /nfs/dbraw/zinc/47/45/71/598474571.db2.gz QEDVUFATSRRONT-ZJUUUORDSA-N -1 3 379.760 0.811 20 0 GCADHM Cc1ccc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1C(N)=O ZINC000737361133 598477278 /nfs/dbraw/zinc/47/72/78/598477278.db2.gz UDMHCEJFSDLDQG-UHFFFAOYSA-N -1 3 381.400 0.903 20 0 GCADHM Cc1ccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1C(N)=O ZINC000737361133 598477279 /nfs/dbraw/zinc/47/72/79/598477279.db2.gz UDMHCEJFSDLDQG-UHFFFAOYSA-N -1 3 381.400 0.903 20 0 GCADHM COc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737103920 598477327 /nfs/dbraw/zinc/47/73/27/598477327.db2.gz LCTSCAJVOSAVQG-UHFFFAOYSA-N -1 3 397.351 0.775 20 0 GCADHM COc1ccc(NC(=O)NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737103920 598477328 /nfs/dbraw/zinc/47/73/28/598477328.db2.gz LCTSCAJVOSAVQG-UHFFFAOYSA-N -1 3 397.351 0.775 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)NC[C@@H]1COc2ccccc2O1 ZINC000737907590 598478065 /nfs/dbraw/zinc/47/80/65/598478065.db2.gz FDCFJKWFQZOLMK-GFCCVEGCSA-N -1 3 396.363 0.375 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)NC[C@@H]1COc2ccccc2O1 ZINC000737907590 598478067 /nfs/dbraw/zinc/47/80/67/598478067.db2.gz FDCFJKWFQZOLMK-GFCCVEGCSA-N -1 3 396.363 0.375 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736909716 598479733 /nfs/dbraw/zinc/47/97/33/598479733.db2.gz KSNHOKXMNQUVCG-JTQLQIEISA-N -1 3 388.384 0.219 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736909716 598479734 /nfs/dbraw/zinc/47/97/34/598479734.db2.gz KSNHOKXMNQUVCG-JTQLQIEISA-N -1 3 388.384 0.219 20 0 GCADHM NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737769290 598479960 /nfs/dbraw/zinc/47/99/60/598479960.db2.gz JASAUGWWJDCPLL-UHFFFAOYSA-N -1 3 390.381 0.145 20 0 GCADHM NS(=O)(=O)c1ccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737769290 598479962 /nfs/dbraw/zinc/47/99/62/598479962.db2.gz JASAUGWWJDCPLL-UHFFFAOYSA-N -1 3 390.381 0.145 20 0 GCADHM CCn1nc(C)c(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1C ZINC000736729045 598481564 /nfs/dbraw/zinc/48/15/64/598481564.db2.gz SBNUQRTZZIMQTD-UHFFFAOYSA-N -1 3 398.427 0.963 20 0 GCADHM CCn1nc(C)c(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1C ZINC000736729045 598481565 /nfs/dbraw/zinc/48/15/65/598481565.db2.gz SBNUQRTZZIMQTD-UHFFFAOYSA-N -1 3 398.427 0.963 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1sccc1C(N)=O ZINC000736159383 598481812 /nfs/dbraw/zinc/48/18/12/598481812.db2.gz MKCVRTSGNIOIMI-ZETCQYMHSA-N -1 3 387.381 0.606 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1sccc1C(N)=O ZINC000736159383 598481814 /nfs/dbraw/zinc/48/18/14/598481814.db2.gz MKCVRTSGNIOIMI-ZETCQYMHSA-N -1 3 387.381 0.606 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1sccc1C(N)=O ZINC000736159380 598482100 /nfs/dbraw/zinc/48/21/00/598482100.db2.gz MKCVRTSGNIOIMI-SSDOTTSWSA-N -1 3 387.381 0.606 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1sccc1C(N)=O ZINC000736159380 598482101 /nfs/dbraw/zinc/48/21/01/598482101.db2.gz MKCVRTSGNIOIMI-SSDOTTSWSA-N -1 3 387.381 0.606 20 0 GCADHM COC(=O)C(C)(C)N(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736889153 598496182 /nfs/dbraw/zinc/49/61/82/598496182.db2.gz QFYFAPPZRNQXQC-UHFFFAOYSA-N -1 3 384.400 0.658 20 0 GCADHM COC(=O)C(C)(C)N(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736889153 598496183 /nfs/dbraw/zinc/49/61/83/598496183.db2.gz QFYFAPPZRNQXQC-UHFFFAOYSA-N -1 3 384.400 0.658 20 0 GCADHM O=C(CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)NC1CCCCC1 ZINC000737896159 598507878 /nfs/dbraw/zinc/50/78/78/598507878.db2.gz XQDVIIFSDFLKFZ-UHFFFAOYSA-N -1 3 378.458 0.735 20 0 GCADHM O=C(CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)NC1CCCCC1 ZINC000737896159 598507880 /nfs/dbraw/zinc/50/78/80/598507880.db2.gz XQDVIIFSDFLKFZ-UHFFFAOYSA-N -1 3 378.458 0.735 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737742149 598508709 /nfs/dbraw/zinc/50/87/09/598508709.db2.gz FHUMPDRKSJWQJK-HNNXBMFYSA-N -1 3 398.448 0.861 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737742149 598508710 /nfs/dbraw/zinc/50/87/10/598508710.db2.gz FHUMPDRKSJWQJK-HNNXBMFYSA-N -1 3 398.448 0.861 20 0 GCADHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409499 607359250 /nfs/dbraw/zinc/35/92/50/607359250.db2.gz CBBMOKJBZJXFKU-KBPBESRZSA-N -1 3 397.391 0.768 20 0 GCADHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409499 607359252 /nfs/dbraw/zinc/35/92/52/607359252.db2.gz CBBMOKJBZJXFKU-KBPBESRZSA-N -1 3 397.391 0.768 20 0 GCADHM COCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737004904 598508925 /nfs/dbraw/zinc/50/89/25/598508925.db2.gz PRIOHEGIWUUZQU-LLVKDONJSA-N -1 3 384.437 0.395 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000738328904 598509102 /nfs/dbraw/zinc/50/91/02/598509102.db2.gz HQWZTDWUPLMLMB-GFCCVEGCSA-N -1 3 390.391 0.923 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000738328904 598509104 /nfs/dbraw/zinc/50/91/04/598509104.db2.gz HQWZTDWUPLMLMB-GFCCVEGCSA-N -1 3 390.391 0.923 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737744612 598510109 /nfs/dbraw/zinc/51/01/09/598510109.db2.gz MTCXXWUXAKZDHQ-HZPDHXFCSA-N -1 3 394.435 0.771 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409500 607359548 /nfs/dbraw/zinc/35/95/48/607359548.db2.gz CBBMOKJBZJXFKU-OKILXGFUSA-N -1 3 397.391 0.768 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409500 607359550 /nfs/dbraw/zinc/35/95/50/607359550.db2.gz CBBMOKJBZJXFKU-OKILXGFUSA-N -1 3 397.391 0.768 20 0 GCADHM O=S(=O)(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc2c(c1)COC2 ZINC000738338150 598526693 /nfs/dbraw/zinc/52/66/93/598526693.db2.gz KMRCQLZIZFMSAS-UHFFFAOYSA-N -1 3 387.425 0.682 20 0 GCADHM O=S(=O)(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc2c(c1)COC2 ZINC000738338150 598526694 /nfs/dbraw/zinc/52/66/94/598526694.db2.gz KMRCQLZIZFMSAS-UHFFFAOYSA-N -1 3 387.425 0.682 20 0 GCADHM C[C@H]1C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736241988 598528483 /nfs/dbraw/zinc/52/84/83/598528483.db2.gz YKORHSMCILODAZ-FZMZJTMJSA-N -1 3 391.457 0.291 20 0 GCADHM C[C@H]1C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736241988 598528485 /nfs/dbraw/zinc/52/84/85/598528485.db2.gz YKORHSMCILODAZ-FZMZJTMJSA-N -1 3 391.457 0.291 20 0 GCADHM COCCN(Cc1cccnc1)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737006822 598534589 /nfs/dbraw/zinc/53/45/89/598534589.db2.gz JQXWCQGFUORAJN-UHFFFAOYSA-N -1 3 397.443 0.927 20 0 GCADHM COCCN(Cc1cccnc1)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737006822 598534591 /nfs/dbraw/zinc/53/45/91/598534591.db2.gz JQXWCQGFUORAJN-UHFFFAOYSA-N -1 3 397.443 0.927 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000738079242 598535126 /nfs/dbraw/zinc/53/51/26/598535126.db2.gz YGLVCFCIVAQOLH-LBPRGKRZSA-N -1 3 382.432 0.986 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000738079242 598535129 /nfs/dbraw/zinc/53/51/29/598535129.db2.gz YGLVCFCIVAQOLH-LBPRGKRZSA-N -1 3 382.432 0.986 20 0 GCADHM O=C(COCC(=O)NCc1cccnc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000600195876 598535654 /nfs/dbraw/zinc/53/56/54/598535654.db2.gz LWPSJHVNPLSEHK-UHFFFAOYSA-N -1 3 381.396 0.211 20 0 GCADHM O=C(COCC(=O)NCc1cccnc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000600195876 598535656 /nfs/dbraw/zinc/53/56/56/598535656.db2.gz LWPSJHVNPLSEHK-UHFFFAOYSA-N -1 3 381.396 0.211 20 0 GCADHM COCCN(CCOc1ccccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000736994124 598537676 /nfs/dbraw/zinc/53/76/76/598537676.db2.gz FVZOYWDOITZIOJ-ZDUSSCGKSA-N -1 3 381.458 0.381 20 0 GCADHM COCCN(CCOc1ccccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000736994124 598537678 /nfs/dbraw/zinc/53/76/78/598537678.db2.gz FVZOYWDOITZIOJ-ZDUSSCGKSA-N -1 3 381.458 0.381 20 0 GCADHM O=S(=O)(NCCn1cncn1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000738340028 598540809 /nfs/dbraw/zinc/54/08/09/598540809.db2.gz VRRWVIPRAQNSDI-UHFFFAOYSA-N -1 3 388.335 0.456 20 0 GCADHM NC(=O)C1CCC(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000737741338 598542575 /nfs/dbraw/zinc/54/25/75/598542575.db2.gz WPVBAPJXQBHIIP-UHFFFAOYSA-N -1 3 395.427 0.409 20 0 GCADHM NC(=O)C1CCC(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000737741338 598542576 /nfs/dbraw/zinc/54/25/76/598542576.db2.gz WPVBAPJXQBHIIP-UHFFFAOYSA-N -1 3 395.427 0.409 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCS(C)(=O)=O ZINC000735735298 598548940 /nfs/dbraw/zinc/54/89/40/598548940.db2.gz RAMJCAOIADTVAK-AWEZNQCLSA-N -1 3 381.458 0.773 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCS(C)(=O)=O ZINC000735735298 598548941 /nfs/dbraw/zinc/54/89/41/598548941.db2.gz RAMJCAOIADTVAK-AWEZNQCLSA-N -1 3 381.458 0.773 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735624096 598549213 /nfs/dbraw/zinc/54/92/13/598549213.db2.gz UICAZFZAGXDLIX-UHFFFAOYSA-N -1 3 393.835 0.880 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735624096 598549214 /nfs/dbraw/zinc/54/92/14/598549214.db2.gz UICAZFZAGXDLIX-UHFFFAOYSA-N -1 3 393.835 0.880 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCC(=O)NC(C)(C)C ZINC000737022972 598550076 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398.471 0.742 20 0 GCADHM NC(=O)Cn1cc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737758924 598595546 /nfs/dbraw/zinc/59/55/46/598595546.db2.gz OSVYVECQEUWZOB-CQSZACIVSA-N -1 3 381.400 0.156 20 0 GCADHM O=S(=O)(Cc1cccc(F)c1)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738330704 598596186 /nfs/dbraw/zinc/59/61/86/598596186.db2.gz RUVATAHMCLYHNP-UHFFFAOYSA-N -1 3 377.405 0.932 20 0 GCADHM O=S(=O)(Cc1cccc(F)c1)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738330704 598596187 /nfs/dbraw/zinc/59/61/87/598596187.db2.gz RUVATAHMCLYHNP-UHFFFAOYSA-N -1 3 377.405 0.932 20 0 GCADHM C[C@@H]1CN(CCNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736284810 598596286 /nfs/dbraw/zinc/59/62/86/598596286.db2.gz GKUXIPHSFZEQSZ-PBHICJAKSA-N -1 3 385.472 0.672 20 0 GCADHM O=S(=O)(Cc1cccc(F)c1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000738330917 598596450 /nfs/dbraw/zinc/59/64/50/598596450.db2.gz ULXIQEIXKNWKAH-UHFFFAOYSA-N -1 3 377.405 0.932 20 0 GCADHM O=S(=O)(Cc1cccc(F)c1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000738330917 598596451 /nfs/dbraw/zinc/59/64/51/598596451.db2.gz ULXIQEIXKNWKAH-UHFFFAOYSA-N -1 3 377.405 0.932 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738084980 598596713 /nfs/dbraw/zinc/59/67/13/598596713.db2.gz AJVJGGKCSGZHNN-UHFFFAOYSA-N -1 3 379.446 0.708 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738084980 598596714 /nfs/dbraw/zinc/59/67/14/598596714.db2.gz AJVJGGKCSGZHNN-UHFFFAOYSA-N -1 3 379.446 0.708 20 0 GCADHM O=C(NCCNc1cnccn1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738078009 598596924 /nfs/dbraw/zinc/59/69/24/598596924.db2.gz LFKKRAKTNRPFFD-HNNXBMFYSA-N -1 3 379.428 0.854 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCN1c1ccccc1 ZINC000738297375 598597129 /nfs/dbraw/zinc/59/71/29/598597129.db2.gz QOMXMJAELQBDFG-OAHLLOKOSA-N -1 3 384.421 0.951 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCN1c1ccccc1 ZINC000738297375 598597130 /nfs/dbraw/zinc/59/71/30/598597130.db2.gz QOMXMJAELQBDFG-OAHLLOKOSA-N -1 3 384.421 0.951 20 0 GCADHM C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120144 598597177 /nfs/dbraw/zinc/59/71/77/598597177.db2.gz XKYDJNHKOCYTBU-SNVBAGLBSA-N -1 3 381.462 0.555 20 0 GCADHM C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120144 598597179 /nfs/dbraw/zinc/59/71/79/598597179.db2.gz XKYDJNHKOCYTBU-SNVBAGLBSA-N -1 3 381.462 0.555 20 0 GCADHM Cn1c2[nH]c(CCC(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)nc2c(=O)[nH]c1=O ZINC000737591401 598598157 /nfs/dbraw/zinc/59/81/57/598598157.db2.gz RYAIHOIYAKNPRQ-UHFFFAOYSA-N -1 3 399.346 0.253 20 0 GCADHM Cn1c2[nH]c(CCC(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)nc2c(=O)[nH]c1=O ZINC000737591401 598598159 /nfs/dbraw/zinc/59/81/59/598598159.db2.gz RYAIHOIYAKNPRQ-UHFFFAOYSA-N -1 3 399.346 0.253 20 0 GCADHM O=C(COC(=O)c1n[nH]c2c1CCCC2)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737904886 598598226 /nfs/dbraw/zinc/59/82/26/598598226.db2.gz RSKSPFAHRBKUDG-UHFFFAOYSA-N -1 3 381.396 0.942 20 0 GCADHM CCS(=O)(=O)NCCOC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736663560 598598827 /nfs/dbraw/zinc/59/88/27/598598827.db2.gz HDIMVEQTAUXJJU-CQSZACIVSA-N -1 3 394.457 0.318 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736578423 598598894 /nfs/dbraw/zinc/59/88/94/598598894.db2.gz UGILHJQWLSHPLL-UHFFFAOYSA-N -1 3 383.434 0.326 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736578423 598598895 /nfs/dbraw/zinc/59/88/95/598598895.db2.gz UGILHJQWLSHPLL-UHFFFAOYSA-N -1 3 383.434 0.326 20 0 GCADHM C[C@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736154799 598598912 /nfs/dbraw/zinc/59/89/12/598598912.db2.gz YENXXHXYPBSSKB-ZETCQYMHSA-N -1 3 378.776 0.656 20 0 GCADHM C[C@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736154799 598598915 /nfs/dbraw/zinc/59/89/15/598598915.db2.gz YENXXHXYPBSSKB-ZETCQYMHSA-N -1 3 378.776 0.656 20 0 GCADHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000736770892 598599103 /nfs/dbraw/zinc/59/91/03/598599103.db2.gz TUTVEMOYVUDPRH-UHFFFAOYSA-N -1 3 379.377 0.837 20 0 GCADHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736770892 598599105 /nfs/dbraw/zinc/59/91/05/598599105.db2.gz TUTVEMOYVUDPRH-UHFFFAOYSA-N -1 3 379.377 0.837 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736577757 598599214 /nfs/dbraw/zinc/59/92/14/598599214.db2.gz MVNXOPDRJAPJFA-UHFFFAOYSA-N -1 3 397.461 0.715 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736577757 598599216 /nfs/dbraw/zinc/59/92/16/598599216.db2.gz MVNXOPDRJAPJFA-UHFFFAOYSA-N -1 3 397.461 0.715 20 0 GCADHM Cc1ncc(CS(=O)(=O)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737493036 598599460 /nfs/dbraw/zinc/59/94/60/598599460.db2.gz XHNPVDHULUMPNH-LBPRGKRZSA-N -1 3 395.466 0.986 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736577749 598600940 /nfs/dbraw/zinc/60/09/40/598600940.db2.gz MRCYMLSOBKOMEC-UHFFFAOYSA-N -1 3 393.473 0.480 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736577749 598600942 /nfs/dbraw/zinc/60/09/42/598600942.db2.gz MRCYMLSOBKOMEC-UHFFFAOYSA-N -1 3 393.473 0.480 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000737773923 598601650 /nfs/dbraw/zinc/60/16/50/598601650.db2.gz NPGPKDZUMDYIGB-UHFFFAOYSA-N -1 3 382.384 0.777 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000737773923 598601651 /nfs/dbraw/zinc/60/16/51/598601651.db2.gz NPGPKDZUMDYIGB-UHFFFAOYSA-N -1 3 382.384 0.777 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738085386 598602004 /nfs/dbraw/zinc/60/20/04/598602004.db2.gz HDTXGELGBYUTBE-UHFFFAOYSA-N -1 3 397.436 0.847 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738085386 598602005 /nfs/dbraw/zinc/60/20/05/598602005.db2.gz HDTXGELGBYUTBE-UHFFFAOYSA-N -1 3 397.436 0.847 20 0 GCADHM C[S@](=O)Cc1cccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000737174158 598602501 /nfs/dbraw/zinc/60/25/01/598602501.db2.gz SIBRUGXKRFWNAO-SANMLTNESA-N -1 3 375.414 0.381 20 0 GCADHM C[S@](=O)Cc1cccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000737174158 598602502 /nfs/dbraw/zinc/60/25/02/598602502.db2.gz SIBRUGXKRFWNAO-SANMLTNESA-N -1 3 375.414 0.381 20 0 GCADHM COc1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc2c1OCCO2 ZINC000737042070 598602786 /nfs/dbraw/zinc/60/27/86/598602786.db2.gz NREFHLMYZPMBOD-UHFFFAOYSA-N -1 3 387.356 0.282 20 0 GCADHM COc1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc2c1OCCO2 ZINC000737042070 598602789 /nfs/dbraw/zinc/60/27/89/598602789.db2.gz NREFHLMYZPMBOD-UHFFFAOYSA-N -1 3 387.356 0.282 20 0 GCADHM Cc1cccc([C@@H](CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)NC(N)=O)c1 ZINC000737390765 598602805 /nfs/dbraw/zinc/60/28/05/598602805.db2.gz VBEIAPVNJSTILN-CYBMUJFWSA-N -1 3 399.415 0.297 20 0 GCADHM Cc1cccc([C@@H](CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)NC(N)=O)c1 ZINC000737390765 598602807 /nfs/dbraw/zinc/60/28/07/598602807.db2.gz VBEIAPVNJSTILN-CYBMUJFWSA-N -1 3 399.415 0.297 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000737771152 598603380 /nfs/dbraw/zinc/60/33/80/598603380.db2.gz QIWVLTFJWDLYBM-UHFFFAOYSA-N -1 3 398.383 0.152 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000737771152 598603381 /nfs/dbraw/zinc/60/33/81/598603381.db2.gz QIWVLTFJWDLYBM-UHFFFAOYSA-N -1 3 398.383 0.152 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cccc(N2CCCC2=O)c1 ZINC000737775079 598605086 /nfs/dbraw/zinc/60/50/86/598605086.db2.gz YCAAKWZHUDSEHV-UHFFFAOYSA-N -1 3 382.384 0.629 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cccc(N2CCCC2=O)c1 ZINC000737775079 598605088 /nfs/dbraw/zinc/60/50/88/598605088.db2.gz YCAAKWZHUDSEHV-UHFFFAOYSA-N -1 3 382.384 0.629 20 0 GCADHM COc1cccc(CO[C@@H](C)C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000737131416 598605507 /nfs/dbraw/zinc/60/55/07/598605507.db2.gz CWZQNNAYVUVGRG-NSHDSACASA-N -1 3 387.400 0.803 20 0 GCADHM COc1cccc(CO[C@@H](C)C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000737131416 598605508 /nfs/dbraw/zinc/60/55/08/598605508.db2.gz CWZQNNAYVUVGRG-NSHDSACASA-N -1 3 387.400 0.803 20 0 GCADHM Cc1nn(C)c2nc(C)cc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)c12 ZINC000737242417 598605523 /nfs/dbraw/zinc/60/55/23/598605523.db2.gz OMAUKRQMQPGGAM-UHFFFAOYSA-N -1 3 382.388 0.401 20 0 GCADHM Cc1nn(C)c2nc(C)cc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)c12 ZINC000737242417 598605524 /nfs/dbraw/zinc/60/55/24/598605524.db2.gz OMAUKRQMQPGGAM-UHFFFAOYSA-N -1 3 382.388 0.401 20 0 GCADHM C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc3n(c1-c1nnn[n-]1)CCS3)CS2 ZINC000736229170 598614536 /nfs/dbraw/zinc/61/45/36/598614536.db2.gz LHOJTACUFWYXLO-JKYUHCHBSA-N -1 3 392.470 0.561 20 0 GCADHM C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc3n(c1-c1nn[n-]n1)CCS3)CS2 ZINC000736229170 598614537 /nfs/dbraw/zinc/61/45/37/598614537.db2.gz LHOJTACUFWYXLO-JKYUHCHBSA-N -1 3 392.470 0.561 20 0 GCADHM O=C(CCNC(=O)c1ccsc1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737847413 598615273 /nfs/dbraw/zinc/61/52/73/598615273.db2.gz RRTBBJGLNUFRLD-UHFFFAOYSA-N -1 3 390.454 0.989 20 0 GCADHM O=C(CCNC(=O)c1ccsc1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737847413 598615276 /nfs/dbraw/zinc/61/52/76/598615276.db2.gz RRTBBJGLNUFRLD-UHFFFAOYSA-N -1 3 390.454 0.989 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000736883822 598617326 /nfs/dbraw/zinc/61/73/26/598617326.db2.gz SALOOHAXLBDSMK-NSHDSACASA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000736883822 598617327 /nfs/dbraw/zinc/61/73/27/598617327.db2.gz SALOOHAXLBDSMK-NSHDSACASA-N -1 3 394.457 0.174 20 0 GCADHM O=C1C[C@H](N2CCN(CC(F)F)CC2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000738303025 598618228 /nfs/dbraw/zinc/61/82/28/598618228.db2.gz YWSZGTBGFJJTKY-ZDUSSCGKSA-N -1 3 391.382 0.381 20 0 GCADHM O=C1C[C@H](N2CCN(CC(F)F)CC2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000738303025 598618229 /nfs/dbraw/zinc/61/82/29/598618229.db2.gz YWSZGTBGFJJTKY-ZDUSSCGKSA-N -1 3 391.382 0.381 20 0 GCADHM O=C(CCN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737839967 598618327 /nfs/dbraw/zinc/61/83/27/598618327.db2.gz XUKBELPWFOADEO-NSHDSACASA-N -1 3 396.498 0.908 20 0 GCADHM O=C(CCN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737839967 598618328 /nfs/dbraw/zinc/61/83/28/598618328.db2.gz XUKBELPWFOADEO-NSHDSACASA-N -1 3 396.498 0.908 20 0 GCADHM O=C(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737863863 598618330 /nfs/dbraw/zinc/61/83/30/598618330.db2.gz VQOPZSFLMMEVCE-CQSZACIVSA-N -1 3 376.442 0.457 20 0 GCADHM O=C(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737863863 598618336 /nfs/dbraw/zinc/61/83/36/598618336.db2.gz VQOPZSFLMMEVCE-CQSZACIVSA-N -1 3 376.442 0.457 20 0 GCADHM O=S1(=O)CC[C@H](N(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000738358352 598619240 /nfs/dbraw/zinc/61/92/40/598619240.db2.gz UTDMFEPUJHLJRQ-LSDHHAIUSA-N -1 3 393.469 0.258 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OCc1cscn1 ZINC000737930882 598619565 /nfs/dbraw/zinc/61/95/65/598619565.db2.gz SJSSEQIWWLXHLQ-UHFFFAOYSA-N -1 3 379.423 0.981 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OCc1cscn1 ZINC000737930882 598619567 /nfs/dbraw/zinc/61/95/67/598619567.db2.gz SJSSEQIWWLXHLQ-UHFFFAOYSA-N -1 3 379.423 0.981 20 0 GCADHM COC(=O)CN(CCOc1ccccc1-c1nnn[n-]1)CCN1CCOCC1 ZINC000736921410 598620239 /nfs/dbraw/zinc/62/02/39/598620239.db2.gz BZEBCIWIXANLDM-UHFFFAOYSA-N -1 3 390.444 0.053 20 0 GCADHM COC(=O)CN(CCOc1ccccc1-c1nn[n-]n1)CCN1CCOCC1 ZINC000736921410 598620240 /nfs/dbraw/zinc/62/02/40/598620240.db2.gz BZEBCIWIXANLDM-UHFFFAOYSA-N -1 3 390.444 0.053 20 0 GCADHM CCc1nc(CN2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000736705238 598622861 /nfs/dbraw/zinc/62/28/61/598622861.db2.gz ZQTCPGCZXXVPDY-UHFFFAOYSA-N -1 3 398.427 0.535 20 0 GCADHM CCc1nc(CN2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000736705238 598622864 /nfs/dbraw/zinc/62/28/64/598622864.db2.gz ZQTCPGCZXXVPDY-UHFFFAOYSA-N -1 3 398.427 0.535 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NCCc1cscn1 ZINC000737930500 598623212 /nfs/dbraw/zinc/62/32/12/598623212.db2.gz PVTZVGCBJUCCOB-UHFFFAOYSA-N -1 3 392.466 0.597 20 0 GCADHM Cc1nc(CN2CCCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737476192 598624310 /nfs/dbraw/zinc/62/43/10/598624310.db2.gz FPJSQHIQITZETK-UHFFFAOYSA-N -1 3 397.443 0.705 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCCC[S@](C)=O ZINC000737032259 598624816 /nfs/dbraw/zinc/62/48/16/598624816.db2.gz HHAAWASNTMJMLO-SANMLTNESA-N -1 3 381.458 0.919 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCCC[S@](C)=O ZINC000737032259 598624817 /nfs/dbraw/zinc/62/48/17/598624817.db2.gz HHAAWASNTMJMLO-SANMLTNESA-N -1 3 381.458 0.919 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737164767 598625402 /nfs/dbraw/zinc/62/54/02/598625402.db2.gz BKWAJGMRUTYRTR-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737164767 598625404 /nfs/dbraw/zinc/62/54/04/598625404.db2.gz BKWAJGMRUTYRTR-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM O=C(c1cnn2ccccc12)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738283517 598625450 /nfs/dbraw/zinc/62/54/50/598625450.db2.gz JWDDOQGLZCAGLI-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(c1cnn2ccccc12)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738283517 598625451 /nfs/dbraw/zinc/62/54/51/598625451.db2.gz JWDDOQGLZCAGLI-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM Cc1nn(C)c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1-c1nnn[n-]1 ZINC000737509984 598633774 /nfs/dbraw/zinc/63/37/74/598633774.db2.gz AQWYSEZUCMEGRO-ZDUSSCGKSA-N -1 3 387.492 0.432 20 0 GCADHM Cc1nn(C)c(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1-c1nn[n-]n1 ZINC000737509984 598633775 /nfs/dbraw/zinc/63/37/75/598633775.db2.gz AQWYSEZUCMEGRO-ZDUSSCGKSA-N -1 3 387.492 0.432 20 0 GCADHM Cc1cc(C)n(CCCNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000737255682 598636070 /nfs/dbraw/zinc/63/60/70/598636070.db2.gz CHNMTORSABWEIP-UHFFFAOYSA-N -1 3 386.391 0.964 20 0 GCADHM Cc1cc(C)n(CCCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000737255682 598636072 /nfs/dbraw/zinc/63/60/72/598636072.db2.gz CHNMTORSABWEIP-UHFFFAOYSA-N -1 3 386.391 0.964 20 0 GCADHM O=C(NC[C@@H](CO)Cc1ccco1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738040037 598636300 /nfs/dbraw/zinc/63/63/00/598636300.db2.gz RCMKZAQKWWCYHV-JTQLQIEISA-N -1 3 388.359 0.505 20 0 GCADHM O=C(NC[C@@H](CO)Cc1ccco1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738040037 598636301 /nfs/dbraw/zinc/63/63/01/598636301.db2.gz RCMKZAQKWWCYHV-JTQLQIEISA-N -1 3 388.359 0.505 20 0 GCADHM CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735684785 598636791 /nfs/dbraw/zinc/63/67/91/598636791.db2.gz TUBASYWWKASXCZ-UHFFFAOYSA-N -1 3 389.391 0.271 20 0 GCADHM CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735684785 598636793 /nfs/dbraw/zinc/63/67/93/598636793.db2.gz TUBASYWWKASXCZ-UHFFFAOYSA-N -1 3 389.391 0.271 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000738161575 598638036 /nfs/dbraw/zinc/63/80/36/598638036.db2.gz GJSLWMPFRZZKHC-UHFFFAOYSA-N -1 3 387.375 0.025 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000738161575 598638038 /nfs/dbraw/zinc/63/80/38/598638038.db2.gz GJSLWMPFRZZKHC-UHFFFAOYSA-N -1 3 387.375 0.025 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)NC1CCC2(CC1)OCCO2 ZINC000738162188 598638929 /nfs/dbraw/zinc/63/89/29/598638929.db2.gz KGDXKGRCNSGBSG-UHFFFAOYSA-N -1 3 390.375 0.746 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)NC1CCC2(CC1)OCCO2 ZINC000738162188 598638931 /nfs/dbraw/zinc/63/89/31/598638931.db2.gz KGDXKGRCNSGBSG-UHFFFAOYSA-N -1 3 390.375 0.746 20 0 GCADHM CC(C)(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735589551 598639935 /nfs/dbraw/zinc/63/99/35/598639935.db2.gz MGMJFNQFBFMNSF-UHFFFAOYSA-N -1 3 377.380 0.223 20 0 GCADHM CC(C)(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735589551 598639936 /nfs/dbraw/zinc/63/99/36/598639936.db2.gz MGMJFNQFBFMNSF-UHFFFAOYSA-N -1 3 377.380 0.223 20 0 GCADHM COC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736931943 598640539 /nfs/dbraw/zinc/64/05/39/598640539.db2.gz DFTKTYOSUPNRNJ-UHFFFAOYSA-N -1 3 391.363 0.291 20 0 GCADHM COC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736931943 598640540 /nfs/dbraw/zinc/64/05/40/598640540.db2.gz DFTKTYOSUPNRNJ-UHFFFAOYSA-N -1 3 391.363 0.291 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1CCCC1 ZINC000737889380 598640780 /nfs/dbraw/zinc/64/07/80/598640780.db2.gz LWEKISDBHVVFPN-UHFFFAOYSA-N -1 3 375.364 0.119 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1CCCC1 ZINC000737889380 598640782 /nfs/dbraw/zinc/64/07/82/598640782.db2.gz LWEKISDBHVVFPN-UHFFFAOYSA-N -1 3 375.364 0.119 20 0 GCADHM COc1cccc2c1OC[C@@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737144046 598641915 /nfs/dbraw/zinc/64/19/15/598641915.db2.gz ZEKMJVKYLZRYDS-AWEZNQCLSA-N -1 3 394.391 0.934 20 0 GCADHM COc1cccc2c1OC[C@@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737144046 598641918 /nfs/dbraw/zinc/64/19/18/598641918.db2.gz ZEKMJVKYLZRYDS-AWEZNQCLSA-N -1 3 394.391 0.934 20 0 GCADHM COc1cccc2c1OC[C@@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)C2 ZINC000737143420 598642131 /nfs/dbraw/zinc/64/21/31/598642131.db2.gz QPTXEMBYMZTDER-AWEZNQCLSA-N -1 3 394.391 0.934 20 0 GCADHM COc1cccc2c1OC[C@@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)C2 ZINC000737143420 598642133 /nfs/dbraw/zinc/64/21/33/598642133.db2.gz QPTXEMBYMZTDER-AWEZNQCLSA-N -1 3 394.391 0.934 20 0 GCADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CN1CCC(=O)NC1=O ZINC000737023726 598646936 /nfs/dbraw/zinc/64/69/36/598646936.db2.gz BPGXPYJWDPJUBB-UHFFFAOYSA-N -1 3 380.748 0.376 20 0 GCADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CN1CCC(=O)NC1=O ZINC000737023726 598646938 /nfs/dbraw/zinc/64/69/38/598646938.db2.gz BPGXPYJWDPJUBB-UHFFFAOYSA-N -1 3 380.748 0.376 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NC[C@H]1CCS(=O)(=O)C1 ZINC000737832287 598650237 /nfs/dbraw/zinc/65/02/37/598650237.db2.gz IUDIBDIVYSKTLR-CYBMUJFWSA-N -1 3 393.469 0.967 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NC[C@H]1CCS(=O)(=O)C1 ZINC000737832287 598650240 /nfs/dbraw/zinc/65/02/40/598650240.db2.gz IUDIBDIVYSKTLR-CYBMUJFWSA-N -1 3 393.469 0.967 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735473617 598651235 /nfs/dbraw/zinc/65/12/35/598651235.db2.gz BSVMRNMJMYUWTH-IAQYHMDHSA-N -1 3 385.428 0.171 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735473617 598651236 /nfs/dbraw/zinc/65/12/36/598651236.db2.gz BSVMRNMJMYUWTH-IAQYHMDHSA-N -1 3 385.428 0.171 20 0 GCADHM CS(=O)(=O)N1CCC(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737167216 598665123 /nfs/dbraw/zinc/66/51/23/598665123.db2.gz UDTYYQHPWONEPH-UHFFFAOYSA-N -1 3 396.498 0.499 20 0 GCADHM CS(=O)(=O)N1CCC(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737167216 598665125 /nfs/dbraw/zinc/66/51/25/598665125.db2.gz UDTYYQHPWONEPH-UHFFFAOYSA-N -1 3 396.498 0.499 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737167923 598666558 /nfs/dbraw/zinc/66/65/58/598666558.db2.gz WRQZVLIQJHTGCO-GFCCVEGCSA-N -1 3 396.498 0.499 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737167923 598666559 /nfs/dbraw/zinc/66/65/59/598666559.db2.gz WRQZVLIQJHTGCO-GFCCVEGCSA-N -1 3 396.498 0.499 20 0 GCADHM COC(=O)CN(CC(=O)OC)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736923907 598671551 /nfs/dbraw/zinc/67/15/51/598671551.db2.gz VIRROZOXDHMHPC-UHFFFAOYSA-N -1 3 385.384 0.336 20 0 GCADHM COC(=O)CN(CC(=O)OC)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736923907 598671553 /nfs/dbraw/zinc/67/15/53/598671553.db2.gz VIRROZOXDHMHPC-UHFFFAOYSA-N -1 3 385.384 0.336 20 0 GCADHM Cc1nnc(NCCS(=O)(=O)NC[C@H]2CCCCO2)c(-c2nnn[n-]2)c1C ZINC000737523374 598679508 /nfs/dbraw/zinc/67/95/08/598679508.db2.gz WPWAOXHJFAFWLE-GFCCVEGCSA-N -1 3 396.477 0.174 20 0 GCADHM Cc1nnc(NCCS(=O)(=O)NC[C@H]2CCCCO2)c(-c2nn[n-]n2)c1C ZINC000737523374 598679509 /nfs/dbraw/zinc/67/95/09/598679509.db2.gz WPWAOXHJFAFWLE-GFCCVEGCSA-N -1 3 396.477 0.174 20 0 GCADHM CCn1nc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)ccc1=O ZINC000736721965 598681025 /nfs/dbraw/zinc/68/10/25/598681025.db2.gz LJUSRHHYMWSXBK-UHFFFAOYSA-N -1 3 394.439 0.401 20 0 GCADHM CS(=O)(=O)NCCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737169177 598683424 /nfs/dbraw/zinc/68/34/24/598683424.db2.gz OYTBDDANETYINY-UHFFFAOYSA-N -1 3 382.446 0.081 20 0 GCADHM CS(=O)(=O)NCCNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737169177 598683425 /nfs/dbraw/zinc/68/34/25/598683425.db2.gz OYTBDDANETYINY-UHFFFAOYSA-N -1 3 382.446 0.081 20 0 GCADHM CS(=O)(=O)CCCN1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737163479 598683718 /nfs/dbraw/zinc/68/37/18/598683718.db2.gz WEINGHDSWKYQPE-UHFFFAOYSA-N -1 3 392.485 0.952 20 0 GCADHM NC(=O)CN1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737752067 598685076 /nfs/dbraw/zinc/68/50/76/598685076.db2.gz DSBZYCWEAORIPL-UHFFFAOYSA-N -1 3 387.444 0.045 20 0 GCADHM NC(=O)CN1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737752067 598685077 /nfs/dbraw/zinc/68/50/77/598685077.db2.gz DSBZYCWEAORIPL-UHFFFAOYSA-N -1 3 387.444 0.045 20 0 GCADHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736201906 598686826 /nfs/dbraw/zinc/68/68/26/598686826.db2.gz IWCCYTWYUFDJIK-JTQLQIEISA-N -1 3 387.425 0.742 20 0 GCADHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736201906 598686827 /nfs/dbraw/zinc/68/68/27/598686827.db2.gz IWCCYTWYUFDJIK-JTQLQIEISA-N -1 3 387.425 0.742 20 0 GCADHM O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738340055 598688818 /nfs/dbraw/zinc/68/88/18/598688818.db2.gz VUUZEYAWQQVYPO-NSHDSACASA-N -1 3 385.421 0.870 20 0 GCADHM O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738340055 598688819 /nfs/dbraw/zinc/68/88/19/598688819.db2.gz VUUZEYAWQQVYPO-NSHDSACASA-N -1 3 385.421 0.870 20 0 GCADHM CCn1cnnc1CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736721206 598689806 /nfs/dbraw/zinc/68/98/06/598689806.db2.gz CIRGNVOJOLAMSS-UHFFFAOYSA-N -1 3 393.415 0.219 20 0 GCADHM CCn1cnnc1CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736721206 598689808 /nfs/dbraw/zinc/68/98/08/598689808.db2.gz CIRGNVOJOLAMSS-UHFFFAOYSA-N -1 3 393.415 0.219 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737764239 598690086 /nfs/dbraw/zinc/69/00/86/598690086.db2.gz IVZMHRGKQPUBEX-GUOLPTJISA-N -1 3 376.442 0.407 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737764239 598690088 /nfs/dbraw/zinc/69/00/88/598690088.db2.gz IVZMHRGKQPUBEX-GUOLPTJISA-N -1 3 376.442 0.407 20 0 GCADHM CCn1cnnc1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736722640 598690198 /nfs/dbraw/zinc/69/01/98/598690198.db2.gz PQCKCRBHIWXSNW-HNNXBMFYSA-N -1 3 381.444 0.806 20 0 GCADHM Cn1cnnc1C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737619048 598690873 /nfs/dbraw/zinc/69/08/73/598690873.db2.gz PUMFNVDZFNYRLD-UHFFFAOYSA-N -1 3 392.420 0.703 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)NCc1ccco1 ZINC000736130822 598692640 /nfs/dbraw/zinc/69/26/40/598692640.db2.gz OEOWPPXVBRBCPW-VIFPVBQESA-N -1 3 394.388 0.582 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)NCc1ccco1 ZINC000736130822 598692642 /nfs/dbraw/zinc/69/26/42/598692642.db2.gz OEOWPPXVBRBCPW-VIFPVBQESA-N -1 3 394.388 0.582 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735474364 598692737 /nfs/dbraw/zinc/69/27/37/598692737.db2.gz IOYXDKBQNDHBSH-NSHDSACASA-N -1 3 382.421 0.543 20 0 GCADHM Cc1cc(C)n(C[C@H]2CN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000737255902 598693006 /nfs/dbraw/zinc/69/30/06/598693006.db2.gz JZLWXNFVJYEAAH-QGZVFWFLSA-N -1 3 397.439 0.986 20 0 GCADHM NC(=O)Cc1cccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737760229 598693815 /nfs/dbraw/zinc/69/38/15/598693815.db2.gz XWHDXWLXSVJNCV-UHFFFAOYSA-N -1 3 377.357 0.801 20 0 GCADHM Cc1noc([C@H](C)N2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737533766 598693834 /nfs/dbraw/zinc/69/38/34/598693834.db2.gz IUPHLDVHSLFAHX-LBPRGKRZSA-N -1 3 398.427 0.842 20 0 GCADHM CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736871627 598694234 /nfs/dbraw/zinc/69/42/34/598694234.db2.gz SHALWIKLWYBUMZ-GDBMZVCRSA-N -1 3 383.456 0.820 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCCC[C@H]1C1OCCO1 ZINC000738356232 598694474 /nfs/dbraw/zinc/69/44/74/598694474.db2.gz ZNSHFHWDYIVEOK-ZDUSSCGKSA-N -1 3 383.405 0.922 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CN(C)CCN1C ZINC000737549223 598696840 /nfs/dbraw/zinc/69/68/40/598696840.db2.gz UBBQELIBADDXAA-CYBMUJFWSA-N -1 3 384.444 0.534 20 0 GCADHM O=C(CN1CCCC[C@@H]1CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737875501 598708540 /nfs/dbraw/zinc/70/85/40/598708540.db2.gz CWDRFVQDPHIZPL-QGZVFWFLSA-N -1 3 385.472 0.992 20 0 GCADHM COCCCS(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736988929 598709344 /nfs/dbraw/zinc/70/93/44/598709344.db2.gz XNLZYBQHPBUQIC-UHFFFAOYSA-N -1 3 381.462 0.186 20 0 GCADHM COCCCS(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736988929 598709345 /nfs/dbraw/zinc/70/93/45/598709345.db2.gz XNLZYBQHPBUQIC-UHFFFAOYSA-N -1 3 381.462 0.186 20 0 GCADHM Nc1cc(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc(Cl)n1 ZINC000737774555 598711547 /nfs/dbraw/zinc/71/15/47/598711547.db2.gz RPHBVWIPIVQALY-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Nc1cc(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc(Cl)n1 ZINC000737774555 598711549 /nfs/dbraw/zinc/71/15/49/598711549.db2.gz RPHBVWIPIVQALY-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000738301905 598711607 /nfs/dbraw/zinc/71/16/07/598711607.db2.gz FSQRDZXYVUEDNM-GFCCVEGCSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000738301905 598711609 /nfs/dbraw/zinc/71/16/09/598711609.db2.gz FSQRDZXYVUEDNM-GFCCVEGCSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000738301906 598711800 /nfs/dbraw/zinc/71/18/00/598711800.db2.gz FSQRDZXYVUEDNM-LBPRGKRZSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000738301906 598711802 /nfs/dbraw/zinc/71/18/02/598711802.db2.gz FSQRDZXYVUEDNM-LBPRGKRZSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000738303520 598711894 /nfs/dbraw/zinc/71/18/94/598711894.db2.gz RFVBNPWPXXRYGJ-CYBMUJFWSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000738303520 598711895 /nfs/dbraw/zinc/71/18/95/598711895.db2.gz RFVBNPWPXXRYGJ-CYBMUJFWSA-N -1 3 376.442 0.642 20 0 GCADHM Nc1ncc(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737775745 598712874 /nfs/dbraw/zinc/71/28/74/598712874.db2.gz BKRMAKLEIBSWGL-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Nc1ncc(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737775745 598712876 /nfs/dbraw/zinc/71/28/76/598712876.db2.gz BKRMAKLEIBSWGL-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)on1 ZINC000737272713 598718089 /nfs/dbraw/zinc/71/80/89/598718089.db2.gz XXIVTTUZTRFREA-QGZVFWFLSA-N -1 3 396.367 0.569 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@H](O)c1cccnc1 ZINC000738032210 598720887 /nfs/dbraw/zinc/72/08/87/598720887.db2.gz MMVCSNZKBTVUIT-MRXNPFEDSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@H](O)c1cccnc1 ZINC000738032210 598720890 /nfs/dbraw/zinc/72/08/90/598720890.db2.gz MMVCSNZKBTVUIT-MRXNPFEDSA-N -1 3 380.412 0.475 20 0 GCADHM COc1ccc(CN(CCO)C(=O)c2ccc(-c3nnn[n-]3)cn2)c(OC)c1 ZINC000737090588 598721617 /nfs/dbraw/zinc/72/16/17/598721617.db2.gz JXRVMAVDRPAOAZ-UHFFFAOYSA-N -1 3 384.396 0.914 20 0 GCADHM COc1ccc(CN(CCO)C(=O)c2ccc(-c3nn[n-]n3)cn2)c(OC)c1 ZINC000737090588 598721618 /nfs/dbraw/zinc/72/16/18/598721618.db2.gz JXRVMAVDRPAOAZ-UHFFFAOYSA-N -1 3 384.396 0.914 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000738040627 598722220 /nfs/dbraw/zinc/72/22/20/598722220.db2.gz VJXHGLCWCRGHCE-OAHLLOKOSA-N -1 3 397.439 0.210 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000738040627 598722221 /nfs/dbraw/zinc/72/22/21/598722221.db2.gz VJXHGLCWCRGHCE-OAHLLOKOSA-N -1 3 397.439 0.210 20 0 GCADHM COc1cccc([C@H](O)C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737126433 598723103 /nfs/dbraw/zinc/72/31/03/598723103.db2.gz HIGSROIEHINACS-KRWDZBQOSA-N -1 3 397.391 0.768 20 0 GCADHM COc1cccc([C@H](O)C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737126433 598723105 /nfs/dbraw/zinc/72/31/05/598723105.db2.gz HIGSROIEHINACS-KRWDZBQOSA-N -1 3 397.391 0.768 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737610747 598723326 /nfs/dbraw/zinc/72/33/26/598723326.db2.gz QNKJZLCFBXPWRY-LQYUOIDQSA-N -1 3 379.380 0.962 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737610747 598723327 /nfs/dbraw/zinc/72/33/27/598723327.db2.gz QNKJZLCFBXPWRY-LQYUOIDQSA-N -1 3 379.380 0.962 20 0 GCADHM CCn1nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)ccc1=O ZINC000736728617 598724612 /nfs/dbraw/zinc/72/46/12/598724612.db2.gz NCCFYRZOQISKMU-JTQLQIEISA-N -1 3 383.368 0.627 20 0 GCADHM CCn1nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)ccc1=O ZINC000736728617 598724614 /nfs/dbraw/zinc/72/46/14/598724614.db2.gz NCCFYRZOQISKMU-JTQLQIEISA-N -1 3 383.368 0.627 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@H](n2ccnc2)C1 ZINC000738078126 598726337 /nfs/dbraw/zinc/72/63/37/598726337.db2.gz NDDDETICNBKLEI-ZDUSSCGKSA-N -1 3 382.432 0.917 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@H](n2ccnc2)C1 ZINC000738078126 598726339 /nfs/dbraw/zinc/72/63/39/598726339.db2.gz NDDDETICNBKLEI-ZDUSSCGKSA-N -1 3 382.432 0.917 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H](n2ccnc2)C1 ZINC000738075309 598726417 /nfs/dbraw/zinc/72/64/17/598726417.db2.gz PIGKBWOBALBVGU-AWEZNQCLSA-N -1 3 382.432 0.917 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H](n2ccnc2)C1 ZINC000738075309 598726418 /nfs/dbraw/zinc/72/64/18/598726418.db2.gz PIGKBWOBALBVGU-AWEZNQCLSA-N -1 3 382.432 0.917 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000737126403 598732238 /nfs/dbraw/zinc/73/22/38/598732238.db2.gz GZBFTMUFSDPWOI-OAHLLOKOSA-N -1 3 398.427 0.715 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000737126403 598732239 /nfs/dbraw/zinc/73/22/39/598732239.db2.gz GZBFTMUFSDPWOI-OAHLLOKOSA-N -1 3 398.427 0.715 20 0 GCADHM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736222486 598732947 /nfs/dbraw/zinc/73/29/47/598732947.db2.gz HOZULNXDDWKDDH-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736222486 598732949 /nfs/dbraw/zinc/73/29/49/598732949.db2.gz HOZULNXDDWKDDH-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000735952820 598733386 /nfs/dbraw/zinc/73/33/86/598733386.db2.gz MOZHKARHMXPQTI-UHFFFAOYSA-N -1 3 399.390 0.702 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000735952820 598733388 /nfs/dbraw/zinc/73/33/88/598733388.db2.gz MOZHKARHMXPQTI-UHFFFAOYSA-N -1 3 399.390 0.702 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CCn1cccn1 ZINC000736634496 598733639 /nfs/dbraw/zinc/73/36/39/598733639.db2.gz HYNCMGNIYPOYNE-UHFFFAOYSA-N -1 3 384.400 0.559 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737879063 598735909 /nfs/dbraw/zinc/73/59/09/598735909.db2.gz SFISWPLVTLVSJL-TXEJJXNPSA-N -1 3 399.411 0.392 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737879063 598735910 /nfs/dbraw/zinc/73/59/10/598735910.db2.gz SFISWPLVTLVSJL-TXEJJXNPSA-N -1 3 399.411 0.392 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737879064 598735951 /nfs/dbraw/zinc/73/59/51/598735951.db2.gz SFISWPLVTLVSJL-VXGBXAGGSA-N -1 3 399.411 0.392 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737879064 598735952 /nfs/dbraw/zinc/73/59/52/598735952.db2.gz SFISWPLVTLVSJL-VXGBXAGGSA-N -1 3 399.411 0.392 20 0 GCADHM C[C@]12CCC(=O)N1[C@H](C(=O)OCCNc1ncccc1-c1nnn[n-]1)CS2 ZINC000736230539 598736569 /nfs/dbraw/zinc/73/65/69/598736569.db2.gz SRGBUPWKRPQGQX-ZBEGNZNMSA-N -1 3 389.441 0.671 20 0 GCADHM C[C@]12CCC(=O)N1[C@H](C(=O)OCCNc1ncccc1-c1nn[n-]n1)CS2 ZINC000736230539 598736570 /nfs/dbraw/zinc/73/65/70/598736570.db2.gz SRGBUPWKRPQGQX-ZBEGNZNMSA-N -1 3 389.441 0.671 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000738317254 598739394 /nfs/dbraw/zinc/73/93/94/598739394.db2.gz ZXJRANMEDMWAHL-UWVGGRQHSA-N -1 3 399.333 0.674 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000738317254 598739395 /nfs/dbraw/zinc/73/93/95/598739395.db2.gz ZXJRANMEDMWAHL-UWVGGRQHSA-N -1 3 399.333 0.674 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000738317256 598739471 /nfs/dbraw/zinc/73/94/71/598739471.db2.gz ZXJRANMEDMWAHL-VHSXEESVSA-N -1 3 399.333 0.674 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000738317256 598739472 /nfs/dbraw/zinc/73/94/72/598739472.db2.gz ZXJRANMEDMWAHL-VHSXEESVSA-N -1 3 399.333 0.674 20 0 GCADHM CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000736709840 598743023 /nfs/dbraw/zinc/74/30/23/598743023.db2.gz BMXHFPVHMMFDOR-LLVKDONJSA-N -1 3 383.416 0.726 20 0 GCADHM CCc1noc([C@@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000736709840 598743025 /nfs/dbraw/zinc/74/30/25/598743025.db2.gz BMXHFPVHMMFDOR-LLVKDONJSA-N -1 3 383.416 0.726 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737759466 598743409 /nfs/dbraw/zinc/74/34/09/598743409.db2.gz CJGAZVQFRGQDJV-AWEZNQCLSA-N -1 3 377.408 0.974 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737759466 598743410 /nfs/dbraw/zinc/74/34/10/598743410.db2.gz CJGAZVQFRGQDJV-AWEZNQCLSA-N -1 3 377.408 0.974 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737762248 598743622 /nfs/dbraw/zinc/74/36/22/598743622.db2.gz WNTIUFBDXBLORO-HNNXBMFYSA-N -1 3 391.435 0.903 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737762248 598743624 /nfs/dbraw/zinc/74/36/24/598743624.db2.gz WNTIUFBDXBLORO-HNNXBMFYSA-N -1 3 391.435 0.903 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737761120 598743753 /nfs/dbraw/zinc/74/37/53/598743753.db2.gz PXAVXFMRMPPFJG-AWEZNQCLSA-N -1 3 377.408 0.974 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737761120 598743755 /nfs/dbraw/zinc/74/37/55/598743755.db2.gz PXAVXFMRMPPFJG-AWEZNQCLSA-N -1 3 377.408 0.974 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737925142 598744445 /nfs/dbraw/zinc/74/44/45/598744445.db2.gz OCGNRNWQZOZXOH-JTQLQIEISA-N -1 3 384.318 0.525 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737925142 598744447 /nfs/dbraw/zinc/74/44/47/598744447.db2.gz OCGNRNWQZOZXOH-JTQLQIEISA-N -1 3 384.318 0.525 20 0 GCADHM C[C@@H](C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)N1C(=O)CCC1=O ZINC000735521380 598745495 /nfs/dbraw/zinc/74/54/95/598745495.db2.gz UKIZKKCVTWMANJ-LBPRGKRZSA-N -1 3 398.423 0.774 20 0 GCADHM COC(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736910587 598750210 /nfs/dbraw/zinc/75/02/10/598750210.db2.gz PRNZVLUQUDHRFJ-ZDUSSCGKSA-N -1 3 382.384 0.412 20 0 GCADHM COC(=O)[C@@H]1CCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736910587 598750211 /nfs/dbraw/zinc/75/02/11/598750211.db2.gz PRNZVLUQUDHRFJ-ZDUSSCGKSA-N -1 3 382.384 0.412 20 0 GCADHM C[C@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000736119886 598750191 /nfs/dbraw/zinc/75/01/91/598750191.db2.gz WJJMYCMTNOBCGM-LBPRGKRZSA-N -1 3 395.427 1.000 20 0 GCADHM C[C@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000736119886 598750192 /nfs/dbraw/zinc/75/01/92/598750192.db2.gz WJJMYCMTNOBCGM-LBPRGKRZSA-N -1 3 395.427 1.000 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826223700 607366080 /nfs/dbraw/zinc/36/60/80/607366080.db2.gz WOLIWMYKNKPUPP-ZDUSSCGKSA-N -1 3 393.425 0.407 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826223700 607366081 /nfs/dbraw/zinc/36/60/81/607366081.db2.gz WOLIWMYKNKPUPP-ZDUSSCGKSA-N -1 3 393.425 0.407 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000738150531 598751542 /nfs/dbraw/zinc/75/15/42/598751542.db2.gz AAQIXVFWZOZJIE-JTQLQIEISA-N -1 3 397.317 0.085 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000738150531 598751543 /nfs/dbraw/zinc/75/15/43/598751543.db2.gz AAQIXVFWZOZJIE-JTQLQIEISA-N -1 3 397.317 0.085 20 0 GCADHM CC[C@]1(C(C)C)NC(=O)N(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736397363 598756200 /nfs/dbraw/zinc/75/62/00/598756200.db2.gz SIBZXZPSEAIENP-GOSISDBHSA-N -1 3 385.428 0.840 20 0 GCADHM CC[C@]1(C(C)C)NC(=O)N(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736397363 598756202 /nfs/dbraw/zinc/75/62/02/598756202.db2.gz SIBZXZPSEAIENP-GOSISDBHSA-N -1 3 385.428 0.840 20 0 GCADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000736501496 598762263 /nfs/dbraw/zinc/76/22/63/598762263.db2.gz CTSMNBBXIQAXOD-NWDGAFQWSA-N -1 3 379.442 0.670 20 0 GCADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000736501496 598762265 /nfs/dbraw/zinc/76/22/65/598762265.db2.gz CTSMNBBXIQAXOD-NWDGAFQWSA-N -1 3 379.442 0.670 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737743738 598765245 /nfs/dbraw/zinc/76/52/45/598765245.db2.gz JMHYFKDXQHRZKQ-AWEZNQCLSA-N -1 3 378.392 0.936 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737743738 598765246 /nfs/dbraw/zinc/76/52/46/598765246.db2.gz JMHYFKDXQHRZKQ-AWEZNQCLSA-N -1 3 378.392 0.936 20 0 GCADHM COc1c(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(C)nn1C ZINC000737022689 598765727 /nfs/dbraw/zinc/76/57/27/598765727.db2.gz ABQXDJJJVHNDQE-UHFFFAOYSA-N -1 3 397.443 0.711 20 0 GCADHM COc1c(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(C)nn1C ZINC000737022689 598765729 /nfs/dbraw/zinc/76/57/29/598765729.db2.gz ABQXDJJJVHNDQE-UHFFFAOYSA-N -1 3 397.443 0.711 20 0 GCADHM COc1c(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(C)nn1C ZINC000737023306 598766102 /nfs/dbraw/zinc/76/61/02/598766102.db2.gz JXRJAPRQIHPDHT-UHFFFAOYSA-N -1 3 382.428 0.880 20 0 GCADHM COc1c(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(C)nn1C ZINC000737023306 598766104 /nfs/dbraw/zinc/76/61/04/598766104.db2.gz JXRJAPRQIHPDHT-UHFFFAOYSA-N -1 3 382.428 0.880 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)n1cccn1 ZINC000824039373 607366583 /nfs/dbraw/zinc/36/65/83/607366583.db2.gz FCWHZQOWQRDTOT-GFCCVEGCSA-N -1 3 397.395 0.509 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC000824039373 607366585 /nfs/dbraw/zinc/36/65/85/607366585.db2.gz FCWHZQOWQRDTOT-GFCCVEGCSA-N -1 3 397.395 0.509 20 0 GCADHM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NCCN1CCSCC1 ZINC000737202283 598767836 /nfs/dbraw/zinc/76/78/36/598767836.db2.gz ZRXGHOJJWZXAJY-UHFFFAOYSA-N -1 3 391.501 0.682 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735538463 598770404 /nfs/dbraw/zinc/77/04/04/598770404.db2.gz TZNCDFZGBIFANS-ZDUSSCGKSA-N -1 3 398.471 0.361 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735538463 598770406 /nfs/dbraw/zinc/77/04/06/598770406.db2.gz TZNCDFZGBIFANS-ZDUSSCGKSA-N -1 3 398.471 0.361 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735538965 598772221 /nfs/dbraw/zinc/77/22/21/598772221.db2.gz ZGXRLFXSBPBXAH-ZDUSSCGKSA-N -1 3 398.471 0.361 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735538965 598772223 /nfs/dbraw/zinc/77/22/23/598772223.db2.gz ZGXRLFXSBPBXAH-ZDUSSCGKSA-N -1 3 398.471 0.361 20 0 GCADHM O=C(NC[C@@H]1COCCO1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738052143 598773265 /nfs/dbraw/zinc/77/32/65/598773265.db2.gz RJSDJGRGHULMAI-MRXNPFEDSA-N -1 3 388.428 0.835 20 0 GCADHM CC(C)Oc1ccc(NC(=S)NCCS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000820173628 607366823 /nfs/dbraw/zinc/36/68/23/607366823.db2.gz JYEWVAZNLPOAJJ-UHFFFAOYSA-N -1 3 384.487 0.985 20 0 GCADHM CC(C)Oc1ccc(NC(=S)NCCS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000820173628 607366825 /nfs/dbraw/zinc/36/68/25/607366825.db2.gz JYEWVAZNLPOAJJ-UHFFFAOYSA-N -1 3 384.487 0.985 20 0 GCADHM CCCCNC(=O)NC(=O)COC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736460608 598778436 /nfs/dbraw/zinc/77/84/36/598778436.db2.gz HZXUMOUAWXNVTQ-UHFFFAOYSA-N -1 3 376.373 0.415 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H]1Cn1cncn1 ZINC000737287688 598784355 /nfs/dbraw/zinc/78/43/55/598784355.db2.gz GEVLXMJBMQQDDI-ZDUSSCGKSA-N -1 3 381.400 0.396 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H]1Cn1cncn1 ZINC000737287688 598784357 /nfs/dbraw/zinc/78/43/57/598784357.db2.gz GEVLXMJBMQQDDI-ZDUSSCGKSA-N -1 3 381.400 0.396 20 0 GCADHM O=C(NCCN1CCSCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738074390 598784759 /nfs/dbraw/zinc/78/47/59/598784759.db2.gz DSQMLVVJMFXRJI-UHFFFAOYSA-N -1 3 379.421 0.109 20 0 GCADHM O=C(NCCN1CCSCC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738074390 598784761 /nfs/dbraw/zinc/78/47/61/598784761.db2.gz DSQMLVVJMFXRJI-UHFFFAOYSA-N -1 3 379.421 0.109 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(CCOC)CC(F)F ZINC000736636097 598785103 /nfs/dbraw/zinc/78/51/03/598785103.db2.gz NWPDCHKIRLJRCQ-UHFFFAOYSA-N -1 3 398.370 0.944 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(CCOC)CC(F)F ZINC000736636097 598785105 /nfs/dbraw/zinc/78/51/05/598785105.db2.gz NWPDCHKIRLJRCQ-UHFFFAOYSA-N -1 3 398.370 0.944 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCS(=O)(=O)CC1 ZINC000736997513 598790480 /nfs/dbraw/zinc/79/04/80/598790480.db2.gz RKSNDUNTERWEHK-UHFFFAOYSA-N -1 3 393.469 0.667 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCS(=O)(=O)CC1 ZINC000736997513 598790481 /nfs/dbraw/zinc/79/04/81/598790481.db2.gz RKSNDUNTERWEHK-UHFFFAOYSA-N -1 3 393.469 0.667 20 0 GCADHM O=C(CN1CCOCC1)N1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000737884609 598792289 /nfs/dbraw/zinc/79/22/89/598792289.db2.gz PGPULLVHZPMXBL-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM O=C(CN1CCOCC1)N1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000737884609 598792291 /nfs/dbraw/zinc/79/22/91/598792291.db2.gz PGPULLVHZPMXBL-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000738143473 598794028 /nfs/dbraw/zinc/79/40/28/598794028.db2.gz DIHPXQCQYLNVKA-SECBINFHSA-N -1 3 387.791 0.181 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000738143473 598794029 /nfs/dbraw/zinc/79/40/29/598794029.db2.gz DIHPXQCQYLNVKA-SECBINFHSA-N -1 3 387.791 0.181 20 0 GCADHM O=c1ccccn1CCN1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000738381182 598794248 /nfs/dbraw/zinc/79/42/48/598794248.db2.gz XQPYRSVKEHKQET-UHFFFAOYSA-N -1 3 386.847 0.899 20 0 GCADHM O=c1ccccn1CCN1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000738381182 598794249 /nfs/dbraw/zinc/79/42/49/598794249.db2.gz XQPYRSVKEHKQET-UHFFFAOYSA-N -1 3 386.847 0.899 20 0 GCADHM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736507961 598798398 /nfs/dbraw/zinc/79/83/98/598798398.db2.gz HKJLPDGBCDIJHG-NSHDSACASA-N -1 3 387.487 0.452 20 0 GCADHM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736507961 598798399 /nfs/dbraw/zinc/79/83/99/598798399.db2.gz HKJLPDGBCDIJHG-NSHDSACASA-N -1 3 387.487 0.452 20 0 GCADHM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736507959 598798610 /nfs/dbraw/zinc/79/86/10/598798610.db2.gz HKJLPDGBCDIJHG-LLVKDONJSA-N -1 3 387.487 0.452 20 0 GCADHM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736507959 598798612 /nfs/dbraw/zinc/79/86/12/598798612.db2.gz HKJLPDGBCDIJHG-LLVKDONJSA-N -1 3 387.487 0.452 20 0 GCADHM O=C(COC(=O)C1CCS(=O)(=O)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737906476 598800820 /nfs/dbraw/zinc/80/08/20/598800820.db2.gz FFYGTGCMWZGKBL-UHFFFAOYSA-N -1 3 379.398 0.173 20 0 GCADHM O=C(COC(=O)C1CCS(=O)(=O)CC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737906476 598800821 /nfs/dbraw/zinc/80/08/21/598800821.db2.gz FFYGTGCMWZGKBL-UHFFFAOYSA-N -1 3 379.398 0.173 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@H](O)Cc1ccccc1 ZINC000738078628 598800935 /nfs/dbraw/zinc/80/09/35/598800935.db2.gz TYOLJSPQGJAPRT-OAHLLOKOSA-N -1 3 382.428 0.576 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@H](O)Cc1ccccc1 ZINC000738078628 598800936 /nfs/dbraw/zinc/80/09/36/598800936.db2.gz TYOLJSPQGJAPRT-OAHLLOKOSA-N -1 3 382.428 0.576 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N1CCS(=O)(=O)CC1 ZINC000738086209 598801008 /nfs/dbraw/zinc/80/10/08/598801008.db2.gz VBDIFGMYDHSVFV-UHFFFAOYSA-N -1 3 396.498 0.540 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N1CCS(=O)(=O)CC1 ZINC000738086209 598801009 /nfs/dbraw/zinc/80/10/09/598801009.db2.gz VBDIFGMYDHSVFV-UHFFFAOYSA-N -1 3 396.498 0.540 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)S(C)(=O)=O ZINC000736997716 598804212 /nfs/dbraw/zinc/80/42/12/598804212.db2.gz WFGJXFARZDPMQX-UHFFFAOYSA-N -1 3 381.458 0.665 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)S(C)(=O)=O ZINC000736997716 598804213 /nfs/dbraw/zinc/80/42/13/598804213.db2.gz WFGJXFARZDPMQX-UHFFFAOYSA-N -1 3 381.458 0.665 20 0 GCADHM CS(=O)(=O)CCCC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737162332 598807495 /nfs/dbraw/zinc/80/74/95/598807495.db2.gz PCLCWGYUDDKMIX-UHFFFAOYSA-N -1 3 375.414 0.816 20 0 GCADHM O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737822137 598807681 /nfs/dbraw/zinc/80/76/81/598807681.db2.gz XCVHVKHIFCOBSS-LLVKDONJSA-N -1 3 387.425 0.816 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736656203 598809567 /nfs/dbraw/zinc/80/95/67/598809567.db2.gz HMLFXRQZSIZGRT-NEPJUHHUSA-N -1 3 381.458 0.916 20 0 GCADHM OCCCN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000738393615 598810711 /nfs/dbraw/zinc/81/07/11/598810711.db2.gz KOJKCNRKSKCDPO-LBPRGKRZSA-N -1 3 375.351 0.853 20 0 GCADHM C[C@@H]1COCCN1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736295076 598812831 /nfs/dbraw/zinc/81/28/31/598812831.db2.gz YEUHHVLUHFJMGN-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM C[C@@H]1COCCN1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736295076 598812832 /nfs/dbraw/zinc/81/28/32/598812832.db2.gz YEUHHVLUHFJMGN-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000736505321 598813229 /nfs/dbraw/zinc/81/32/29/598813229.db2.gz LQZJTKJLLOJGGH-GFCCVEGCSA-N -1 3 380.474 0.950 20 0 GCADHM Cn1cnnc1SCC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737617808 598813709 /nfs/dbraw/zinc/81/37/09/598813709.db2.gz BWHIKADLKRNFQS-UHFFFAOYSA-N -1 3 382.413 0.912 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCS(=O)CC1 ZINC000737032244 598814720 /nfs/dbraw/zinc/81/47/20/598814720.db2.gz GSBSIGWXFVOLRK-UHFFFAOYSA-N -1 3 379.442 0.625 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCS(=O)CC1 ZINC000737032244 598814722 /nfs/dbraw/zinc/81/47/22/598814722.db2.gz GSBSIGWXFVOLRK-UHFFFAOYSA-N -1 3 379.442 0.625 20 0 GCADHM C[C@H]1Oc2c(cccc2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)NC1=O ZINC000736300942 598817249 /nfs/dbraw/zinc/81/72/49/598817249.db2.gz IBSRDPHRIMWDCZ-SNVBAGLBSA-N -1 3 394.395 0.823 20 0 GCADHM C[C@H]1Oc2c(cccc2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)NC1=O ZINC000736300942 598817252 /nfs/dbraw/zinc/81/72/52/598817252.db2.gz IBSRDPHRIMWDCZ-SNVBAGLBSA-N -1 3 394.395 0.823 20 0 GCADHM CCN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000736511144 598820131 /nfs/dbraw/zinc/82/01/31/598820131.db2.gz PNOKBXIIYKSWBD-CYBMUJFWSA-N -1 3 394.501 0.628 20 0 GCADHM CCN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000736511144 598820133 /nfs/dbraw/zinc/82/01/33/598820133.db2.gz PNOKBXIIYKSWBD-CYBMUJFWSA-N -1 3 394.501 0.628 20 0 GCADHM CCN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@H](C)CS(=O)(=O)CC ZINC000736510536 598820235 /nfs/dbraw/zinc/82/02/35/598820235.db2.gz ATRPTHMCIMZAFU-CYBMUJFWSA-N -1 3 394.501 0.628 20 0 GCADHM CCN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)[C@H](C)CS(=O)(=O)CC ZINC000736510536 598820236 /nfs/dbraw/zinc/82/02/36/598820236.db2.gz ATRPTHMCIMZAFU-CYBMUJFWSA-N -1 3 394.501 0.628 20 0 GCADHM CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735708115 598822530 /nfs/dbraw/zinc/82/25/30/598822530.db2.gz JYQFELPWAJOXJZ-ZWNOBZJWSA-N -1 3 375.458 0.938 20 0 GCADHM CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735708115 598822531 /nfs/dbraw/zinc/82/25/31/598822531.db2.gz JYQFELPWAJOXJZ-ZWNOBZJWSA-N -1 3 375.458 0.938 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)COc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736041573 598822970 /nfs/dbraw/zinc/82/29/70/598822970.db2.gz YCFPCNYBJXVFCV-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)COc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736041573 598822971 /nfs/dbraw/zinc/82/29/71/598822971.db2.gz YCFPCNYBJXVFCV-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM c1cnnc(NC[C@@H]2CN(CCOc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000738420219 599293239 /nfs/dbraw/zinc/29/32/39/599293239.db2.gz ZLSZWWMSAVZASO-MRXNPFEDSA-N -1 3 382.428 0.848 20 0 GCADHM c1cnnc(NC[C@@H]2CN(CCOc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000738420219 599293241 /nfs/dbraw/zinc/29/32/41/599293241.db2.gz ZLSZWWMSAVZASO-MRXNPFEDSA-N -1 3 382.428 0.848 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738089718 599297264 /nfs/dbraw/zinc/29/72/64/599297264.db2.gz QSFXGEDETZIEDW-OAHLLOKOSA-N -1 3 387.444 0.362 20 0 GCADHM c1cc(-c2nnc(CN3CC[C@@H](N4CCOCC4)C3)o2)ccc1-c1nnn[n-]1 ZINC000738405542 599300293 /nfs/dbraw/zinc/30/02/93/599300293.db2.gz RCOQOEMWZCUSIO-OAHLLOKOSA-N -1 3 382.428 0.823 20 0 GCADHM c1cc(-c2nnc(CN3CC[C@@H](N4CCOCC4)C3)o2)ccc1-c1nn[n-]n1 ZINC000738405542 599300296 /nfs/dbraw/zinc/30/02/96/599300296.db2.gz RCOQOEMWZCUSIO-OAHLLOKOSA-N -1 3 382.428 0.823 20 0 GCADHM Cc1oc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737552860 599301714 /nfs/dbraw/zinc/30/17/14/599301714.db2.gz RPEFTVNGLWTAFK-CYBMUJFWSA-N -1 3 375.433 0.422 20 0 GCADHM Cc1oc(NC(=O)CN2CC[C@@H](N3CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000737552860 599301716 /nfs/dbraw/zinc/30/17/16/599301716.db2.gz RPEFTVNGLWTAFK-CYBMUJFWSA-N -1 3 375.433 0.422 20 0 GCADHM CC(=O)N[C@H](CC(=O)n1ncc(-c2nnn[n-]2)c1N)c1ccc(F)cc1F ZINC000819802455 599315794 /nfs/dbraw/zinc/31/57/94/599315794.db2.gz BYKHPEBDITWPRI-GFCCVEGCSA-N -1 3 376.327 0.831 20 0 GCADHM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000822207256 599316208 /nfs/dbraw/zinc/31/62/08/599316208.db2.gz PPYAXGJKZKAMQF-UHFFFAOYSA-N -1 3 388.413 0.182 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000738177054 599319740 /nfs/dbraw/zinc/31/97/40/599319740.db2.gz DRCKNPLZYHNIIJ-CQSZACIVSA-N -1 3 394.395 0.996 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000738177054 599319743 /nfs/dbraw/zinc/31/97/43/599319743.db2.gz DRCKNPLZYHNIIJ-CQSZACIVSA-N -1 3 394.395 0.996 20 0 GCADHM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000820650611 599328751 /nfs/dbraw/zinc/32/87/51/599328751.db2.gz WDVMFBPYLFJFDU-GASCZTMLSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000820650611 599328752 /nfs/dbraw/zinc/32/87/52/599328752.db2.gz WDVMFBPYLFJFDU-GASCZTMLSA-N -1 3 384.488 0.888 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)cn1 ZINC000736933001 599335235 /nfs/dbraw/zinc/33/52/35/599335235.db2.gz ZPCRCIOHUWCECL-UHFFFAOYSA-N -1 3 394.369 0.013 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)cn1 ZINC000736933001 599335239 /nfs/dbraw/zinc/33/52/39/599335239.db2.gz ZPCRCIOHUWCECL-UHFFFAOYSA-N -1 3 394.369 0.013 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNS(=O)(=O)C2CC2)nn1-c1ccccc1 ZINC000822899660 599338877 /nfs/dbraw/zinc/33/88/77/599338877.db2.gz NTTZGSYXGPFQIG-UHFFFAOYSA-N -1 3 388.457 0.649 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNS(=O)(=O)C2CC2)nn1-c1ccccc1 ZINC000822899660 599338880 /nfs/dbraw/zinc/33/88/80/599338880.db2.gz NTTZGSYXGPFQIG-UHFFFAOYSA-N -1 3 388.457 0.649 20 0 GCADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CCS(C)(=O)=O ZINC000820121601 599339218 /nfs/dbraw/zinc/33/92/18/599339218.db2.gz RGJZWPUOIAIUND-UHFFFAOYSA-N -1 3 387.487 0.452 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCS(C)(=O)=O ZINC000820121601 599339221 /nfs/dbraw/zinc/33/92/21/599339221.db2.gz RGJZWPUOIAIUND-UHFFFAOYSA-N -1 3 387.487 0.452 20 0 GCADHM CC(C)CN(c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCS(C)(=O)=O ZINC000820093050 599339723 /nfs/dbraw/zinc/33/97/23/599339723.db2.gz SDHMYBONTZISKV-UHFFFAOYSA-N -1 3 387.487 0.704 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000737921016 599343461 /nfs/dbraw/zinc/34/34/61/599343461.db2.gz UFULBMZQGJWAGD-AWEZNQCLSA-N -1 3 385.405 0.890 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000737925522 599345123 /nfs/dbraw/zinc/34/51/23/599345123.db2.gz UOLXIVPZZHMJSF-CYBMUJFWSA-N -1 3 380.412 0.821 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000737925522 599345125 /nfs/dbraw/zinc/34/51/25/599345125.db2.gz UOLXIVPZZHMJSF-CYBMUJFWSA-N -1 3 380.412 0.821 20 0 GCADHM NC(=O)NCCNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737756737 599345271 /nfs/dbraw/zinc/34/52/71/599345271.db2.gz YQERMUWRAPOFBP-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM NC(=O)NCCNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737756737 599345273 /nfs/dbraw/zinc/34/52/73/599345273.db2.gz YQERMUWRAPOFBP-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000737920221 599345397 /nfs/dbraw/zinc/34/53/97/599345397.db2.gz SGEAQBKOXCLIFA-AWEZNQCLSA-N -1 3 380.412 0.821 20 0 GCADHM C[C@@H](O)C1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736141363 599345851 /nfs/dbraw/zinc/34/58/51/599345851.db2.gz IIHAIVRSFXPUNL-LLVKDONJSA-N -1 3 382.428 0.868 20 0 GCADHM C[C@@H](O)C1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000736141363 599345852 /nfs/dbraw/zinc/34/58/52/599345852.db2.gz IIHAIVRSFXPUNL-LLVKDONJSA-N -1 3 382.428 0.868 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCc2ccc(=O)[nH]c2)cc1 ZINC000737778442 599346448 /nfs/dbraw/zinc/34/64/48/599346448.db2.gz YXXJMCMIVAJBAY-UHFFFAOYSA-N -1 3 377.368 0.665 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCc2ccc(=O)[nH]c2)cc1 ZINC000737778442 599346449 /nfs/dbraw/zinc/34/64/49/599346449.db2.gz YXXJMCMIVAJBAY-UHFFFAOYSA-N -1 3 377.368 0.665 20 0 GCADHM CN(C)C(=O)CCCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736746685 599350130 /nfs/dbraw/zinc/35/01/30/599350130.db2.gz NJWRPVNGJRHQIH-UHFFFAOYSA-N -1 3 389.435 0.913 20 0 GCADHM CN(C)C(=O)CCCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736746685 599350134 /nfs/dbraw/zinc/35/01/34/599350134.db2.gz NJWRPVNGJRHQIH-UHFFFAOYSA-N -1 3 389.435 0.913 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)c2ncccn2)nn1-c1ccccc1 ZINC000737770406 599351640 /nfs/dbraw/zinc/35/16/40/599351640.db2.gz WGMIPGPZCOTXLT-UHFFFAOYSA-N -1 3 390.411 0.787 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)c2ncccn2)nn1-c1ccccc1 ZINC000737770406 599351644 /nfs/dbraw/zinc/35/16/44/599351644.db2.gz WGMIPGPZCOTXLT-UHFFFAOYSA-N -1 3 390.411 0.787 20 0 GCADHM Cc1cc2[nH]c(=O)c(C(=O)OCC(=O)c3ccc(-c4nnn[n-]4)cc3)cn2n1 ZINC000826272377 607370683 /nfs/dbraw/zinc/37/06/83/607370683.db2.gz GHIYQWDHTNDHAG-UHFFFAOYSA-N -1 3 379.336 0.551 20 0 GCADHM Cc1cc2[nH]c(=O)c(C(=O)OCC(=O)c3ccc(-c4nn[n-]n4)cc3)cn2n1 ZINC000826272377 607370684 /nfs/dbraw/zinc/37/06/84/607370684.db2.gz GHIYQWDHTNDHAG-UHFFFAOYSA-N -1 3 379.336 0.551 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2cn[nH]c2)CC1 ZINC000823162016 599356982 /nfs/dbraw/zinc/35/69/82/599356982.db2.gz RPOZKSNDPGHBTO-UHFFFAOYSA-N -1 3 380.412 0.726 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2cn[nH]c2)CC1 ZINC000823162016 599356985 /nfs/dbraw/zinc/35/69/85/599356985.db2.gz RPOZKSNDPGHBTO-UHFFFAOYSA-N -1 3 380.412 0.726 20 0 GCADHM NC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822890191 599357302 /nfs/dbraw/zinc/35/73/02/599357302.db2.gz OWQYBJCHNCZBOA-UHFFFAOYSA-N -1 3 388.409 0.323 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823566546 599358816 /nfs/dbraw/zinc/35/88/16/599358816.db2.gz IYDBIXDVWHJYPE-HNNXBMFYSA-N -1 3 392.485 0.351 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823566546 599358818 /nfs/dbraw/zinc/35/88/18/599358818.db2.gz IYDBIXDVWHJYPE-HNNXBMFYSA-N -1 3 392.485 0.351 20 0 GCADHM CCOC(=O)c1noc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736606014 599361868 /nfs/dbraw/zinc/36/18/68/599361868.db2.gz UNNRMRGTVVKCAX-UHFFFAOYSA-N -1 3 393.385 0.247 20 0 GCADHM CCOC(=O)c1noc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736606014 599361870 /nfs/dbraw/zinc/36/18/70/599361870.db2.gz UNNRMRGTVVKCAX-UHFFFAOYSA-N -1 3 393.385 0.247 20 0 GCADHM CS(=O)(=O)N1CCN(c2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000737167265 599361918 /nfs/dbraw/zinc/36/19/18/599361918.db2.gz VCWWNZVYVRISGJ-UHFFFAOYSA-N -1 3 387.263 0.711 20 0 GCADHM CS(=O)(=O)N1CCN(c2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000737167265 599361921 /nfs/dbraw/zinc/36/19/21/599361921.db2.gz VCWWNZVYVRISGJ-UHFFFAOYSA-N -1 3 387.263 0.711 20 0 GCADHM 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JZDXXLUHZHZHTB-GXSJLCMTSA-N -1 3 382.446 0.522 20 0 GCADHM NC(=O)c1ccc(CNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822884923 599451497 /nfs/dbraw/zinc/45/14/97/599451497.db2.gz DQMLPZYQZXILIR-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736224801 599451550 /nfs/dbraw/zinc/45/15/50/599451550.db2.gz NPRAKZLDCHKWBF-BDAKNGLRSA-N -1 3 389.434 0.202 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820641475 599451861 /nfs/dbraw/zinc/45/18/61/599451861.db2.gz CPRAODGXRKMLJG-DPCRMLNESA-N -1 3 378.458 0.796 20 0 GCADHM C[C@@H]1CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820733561 599452091 /nfs/dbraw/zinc/45/20/91/599452091.db2.gz HDHFMXCEOFQQGQ-LLVKDONJSA-N -1 3 380.430 0.074 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820292806 599453385 /nfs/dbraw/zinc/45/33/85/599453385.db2.gz HKIPQWZMHZZHKJ-NSHDSACASA-N -1 3 382.446 0.320 20 0 GCADHM O=C(CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)NC1CCCCC1 ZINC000823002431 599454970 /nfs/dbraw/zinc/45/49/70/599454970.db2.gz YAUPCLWHGWVHMJ-UHFFFAOYSA-N -1 3 387.444 0.994 20 0 GCADHM CC1(C)[C@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000820583949 599455795 /nfs/dbraw/zinc/45/57/95/599455795.db2.gz GTCLFDLMDYALCF-IMJJTQAJSA-N -1 3 384.440 0.916 20 0 GCADHM CC1(C)[C@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]2CCCO[C@@H]21 ZINC000820583949 599455797 /nfs/dbraw/zinc/45/57/97/599455797.db2.gz GTCLFDLMDYALCF-IMJJTQAJSA-N -1 3 384.440 0.916 20 0 GCADHM CN(C)C(=O)C1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821575831 599456459 /nfs/dbraw/zinc/45/64/59/599456459.db2.gz RADQAHYGPBZIDB-UHFFFAOYSA-N -1 3 387.444 0.755 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)C2=O)cn1 ZINC000822679364 599461653 /nfs/dbraw/zinc/46/16/53/599461653.db2.gz CIKOSTWAUFCYLD-CQSZACIVSA-N -1 3 399.390 0.344 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)C2=O)cn1 ZINC000822679364 599461654 /nfs/dbraw/zinc/46/16/54/599461654.db2.gz CIKOSTWAUFCYLD-CQSZACIVSA-N -1 3 399.390 0.344 20 0 GCADHM Cc1cc(S(=O)(=O)NCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(C)s1 ZINC000822211633 607380648 /nfs/dbraw/zinc/38/06/48/607380648.db2.gz IHYZPMKBAKEDGJ-UHFFFAOYSA-N -1 3 395.470 0.581 20 0 GCADHM Cc1cc(S(=O)(=O)NCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(C)s1 ZINC000822211633 607380650 /nfs/dbraw/zinc/38/06/50/607380650.db2.gz IHYZPMKBAKEDGJ-UHFFFAOYSA-N -1 3 395.470 0.581 20 0 GCADHM CCN(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)[C@@H](C)CS(C)(=O)=O ZINC000821154140 599466366 /nfs/dbraw/zinc/46/63/66/599466366.db2.gz KFRFECWOHOXOQZ-JTQLQIEISA-N -1 3 384.437 0.970 20 0 GCADHM CCN(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)[C@@H](C)CS(C)(=O)=O ZINC000821154140 599466367 /nfs/dbraw/zinc/46/63/67/599466367.db2.gz KFRFECWOHOXOQZ-JTQLQIEISA-N -1 3 384.437 0.970 20 0 GCADHM COc1ccc(C(=O)NCC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821769391 599469207 /nfs/dbraw/zinc/46/92/07/599469207.db2.gz HFVGHPZHGBHTLJ-UHFFFAOYSA-N -1 3 396.407 0.800 20 0 GCADHM C[C@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348602 599470396 /nfs/dbraw/zinc/47/03/96/599470396.db2.gz DUBKEEKTBONSSV-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348602 599470397 /nfs/dbraw/zinc/47/03/97/599470397.db2.gz DUBKEEKTBONSSV-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736223106 599470738 /nfs/dbraw/zinc/47/07/38/599470738.db2.gz HLXCRLGUAZQGCM-UXDGFGRTSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736223106 599470741 /nfs/dbraw/zinc/47/07/41/599470741.db2.gz HLXCRLGUAZQGCM-UXDGFGRTSA-N -1 3 396.860 0.827 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000738316116 599471182 /nfs/dbraw/zinc/47/11/82/599471182.db2.gz PWUCUPMLQJTMLU-SFHVURJKSA-N -1 3 399.411 0.226 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000738316116 599471184 /nfs/dbraw/zinc/47/11/84/599471184.db2.gz PWUCUPMLQJTMLU-SFHVURJKSA-N -1 3 399.411 0.226 20 0 GCADHM C[C@@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820359984 599473753 /nfs/dbraw/zinc/47/37/53/599473753.db2.gz WIWOPVHYVMCFCL-ABAIWWIYSA-N -1 3 395.427 0.766 20 0 GCADHM C[C@@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820359984 599473754 /nfs/dbraw/zinc/47/37/54/599473754.db2.gz WIWOPVHYVMCFCL-ABAIWWIYSA-N -1 3 395.427 0.766 20 0 GCADHM Cc1ccc(NCCCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737361561 599495147 /nfs/dbraw/zinc/49/51/47/599495147.db2.gz JNVDTOJQKVMHGL-UHFFFAOYSA-N -1 3 394.439 0.918 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000822334966 599496076 /nfs/dbraw/zinc/49/60/76/599496076.db2.gz IGBNHMPJOVHDKY-GFCCVEGCSA-N -1 3 387.469 0.981 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000822334966 599496078 /nfs/dbraw/zinc/49/60/78/599496078.db2.gz IGBNHMPJOVHDKY-GFCCVEGCSA-N -1 3 387.469 0.981 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cc(-n2cccn2)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737625 599498526 /nfs/dbraw/zinc/49/85/26/599498526.db2.gz BGAWWYUXOAMLLR-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cc(-n2cccn2)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737625 599498527 /nfs/dbraw/zinc/49/85/27/599498527.db2.gz BGAWWYUXOAMLLR-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM C[C@@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820333590 599498953 /nfs/dbraw/zinc/49/89/53/599498953.db2.gz DKUIDEYLBHSGJN-MFKMUULPSA-N -1 3 381.483 0.964 20 0 GCADHM C[C@@H](NC(=O)CS[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333590 599498956 /nfs/dbraw/zinc/49/89/56/599498956.db2.gz DKUIDEYLBHSGJN-MFKMUULPSA-N -1 3 381.483 0.964 20 0 GCADHM C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333665 599499019 /nfs/dbraw/zinc/49/90/19/599499019.db2.gz FUBLPFWKVHNDPQ-VIFPVBQESA-N -1 3 392.466 0.996 20 0 GCADHM C[S@](=O)c1cccc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737172027 599507328 /nfs/dbraw/zinc/50/73/28/599507328.db2.gz RDCKRWQGQBCGRC-MHZLTWQESA-N -1 3 384.421 0.859 20 0 GCADHM C[S@](=O)c1cccc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737172027 599507330 /nfs/dbraw/zinc/50/73/30/599507330.db2.gz RDCKRWQGQBCGRC-MHZLTWQESA-N -1 3 384.421 0.859 20 0 GCADHM Cc1noc(C)c1NC(=O)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737536212 599509804 /nfs/dbraw/zinc/50/98/04/599509804.db2.gz GHIQFUPMRZASIT-UHFFFAOYSA-N -1 3 396.411 0.759 20 0 GCADHM Cc1noc(C)c1NC(=O)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737536212 599509807 /nfs/dbraw/zinc/50/98/07/599509807.db2.gz GHIQFUPMRZASIT-UHFFFAOYSA-N -1 3 396.411 0.759 20 0 GCADHM O=C(NCC1(O)CCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738040674 599511933 /nfs/dbraw/zinc/51/19/33/599511933.db2.gz SATQTCRCXBOUFQ-UHFFFAOYSA-N -1 3 396.354 0.828 20 0 GCADHM O=C(NCC1(O)CCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738040674 599511935 /nfs/dbraw/zinc/51/19/35/599511935.db2.gz SATQTCRCXBOUFQ-UHFFFAOYSA-N -1 3 396.354 0.828 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCc2nccn2C1 ZINC000736636811 599513653 /nfs/dbraw/zinc/51/36/53/599513653.db2.gz SMMPWVCOZCKZKD-GFCCVEGCSA-N -1 3 396.411 0.532 20 0 GCADHM COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736976902 599514017 /nfs/dbraw/zinc/51/40/17/599514017.db2.gz RORRQPIZJUCKCN-OAHLLOKOSA-N -1 3 382.808 0.362 20 0 GCADHM COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736976902 599514018 /nfs/dbraw/zinc/51/40/18/599514018.db2.gz RORRQPIZJUCKCN-OAHLLOKOSA-N -1 3 382.808 0.362 20 0 GCADHM Cc1noc(CCCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000737534796 599514762 /nfs/dbraw/zinc/51/47/62/599514762.db2.gz MOJSVRIUXPATIS-UHFFFAOYSA-N -1 3 390.791 0.899 20 0 GCADHM Cc1noc(CCCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000737534796 599514764 /nfs/dbraw/zinc/51/47/64/599514764.db2.gz MOJSVRIUXPATIS-UHFFFAOYSA-N -1 3 390.791 0.899 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000737289654 599517003 /nfs/dbraw/zinc/51/70/03/599517003.db2.gz RRFBBJPBRRRHNA-UHFFFAOYSA-N -1 3 394.457 0.443 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000737289654 599517005 /nfs/dbraw/zinc/51/70/05/599517005.db2.gz RRFBBJPBRRRHNA-UHFFFAOYSA-N -1 3 394.457 0.443 20 0 GCADHM CS(=O)(=O)c1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737173778 599521034 /nfs/dbraw/zinc/52/10/34/599521034.db2.gz QBHUMVJMRVZFGK-UHFFFAOYSA-N -1 3 385.453 0.992 20 0 GCADHM CS(=O)(=O)c1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737173778 599521037 /nfs/dbraw/zinc/52/10/37/599521037.db2.gz QBHUMVJMRVZFGK-UHFFFAOYSA-N -1 3 385.453 0.992 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820321372 599525568 /nfs/dbraw/zinc/52/55/68/599525568.db2.gz DNFVJVHGAYZWGL-BXUZGUMPSA-N -1 3 378.458 0.858 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820321372 599525566 /nfs/dbraw/zinc/52/55/66/599525566.db2.gz DNFVJVHGAYZWGL-BXUZGUMPSA-N -1 3 378.458 0.858 20 0 GCADHM C[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820322428 599525754 /nfs/dbraw/zinc/52/57/54/599525754.db2.gz SKOXKSBRIUQLAW-DREBAFOQSA-N -1 3 383.412 0.812 20 0 GCADHM C[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820322428 599525756 /nfs/dbraw/zinc/52/57/56/599525756.db2.gz SKOXKSBRIUQLAW-DREBAFOQSA-N -1 3 383.412 0.812 20 0 GCADHM Cc1nnc(N2CCO[C@H](CN(C)c3cccnn3)C2)c(-c2nnn[n-]2)c1C ZINC000822509913 607382413 /nfs/dbraw/zinc/38/24/13/607382413.db2.gz HBBPPDJJBFFJCI-CYBMUJFWSA-N -1 3 382.432 0.405 20 0 GCADHM Cc1nnc(N2CCO[C@H](CN(C)c3cccnn3)C2)c(-c2nn[n-]n2)c1C ZINC000822509913 607382415 /nfs/dbraw/zinc/38/24/15/607382415.db2.gz HBBPPDJJBFFJCI-CYBMUJFWSA-N -1 3 382.432 0.405 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000820752179 599536047 /nfs/dbraw/zinc/53/60/47/599536047.db2.gz LDTHWRGWSNOJMX-MNOVXSKESA-N -1 3 398.924 0.818 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000820752179 599536050 /nfs/dbraw/zinc/53/60/50/599536050.db2.gz LDTHWRGWSNOJMX-MNOVXSKESA-N -1 3 398.924 0.818 20 0 GCADHM CCc1nc2n(n1)C[C@H](Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC2 ZINC000821509503 599537527 /nfs/dbraw/zinc/53/75/27/599537527.db2.gz JBCFUNVLOWGFHY-SECBINFHSA-N -1 3 389.445 0.095 20 0 GCADHM CCc1nc2n(n1)C[C@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC2 ZINC000821509503 599537530 /nfs/dbraw/zinc/53/75/30/599537530.db2.gz JBCFUNVLOWGFHY-SECBINFHSA-N -1 3 389.445 0.095 20 0 GCADHM C[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329539 599538742 /nfs/dbraw/zinc/53/87/42/599538742.db2.gz XJORTPJKYZCZBZ-CHWSQXEVSA-N -1 3 382.428 0.960 20 0 GCADHM C[C@@H](NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329539 599538744 /nfs/dbraw/zinc/53/87/44/599538744.db2.gz XJORTPJKYZCZBZ-CHWSQXEVSA-N -1 3 382.428 0.960 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@@H](Cn3cncn3)C2)c(-c2nnn[n-]2)c1 ZINC000822895405 599548201 /nfs/dbraw/zinc/54/82/01/599548201.db2.gz QVPPIMZQWCKHIF-LLVKDONJSA-N -1 3 389.445 0.022 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@@H](Cn3cncn3)C2)c(-c2nn[n-]n2)c1 ZINC000822895405 599548204 /nfs/dbraw/zinc/54/82/04/599548204.db2.gz QVPPIMZQWCKHIF-LLVKDONJSA-N -1 3 389.445 0.022 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N(C)[C@H]1CCN(C)C1=O ZINC000737033754 599555785 /nfs/dbraw/zinc/55/57/85/599555785.db2.gz SITYWPYXNSQQSQ-ZDUSSCGKSA-N -1 3 388.428 0.723 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N(C)[C@H]1CCN(C)C1=O ZINC000737033754 599555787 /nfs/dbraw/zinc/55/57/87/599555787.db2.gz SITYWPYXNSQQSQ-ZDUSSCGKSA-N -1 3 388.428 0.723 20 0 GCADHM COc1ccccc1C(=O)NCC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821882905 599557179 /nfs/dbraw/zinc/55/71/79/599557179.db2.gz NGLDXQAMGNPBJQ-UHFFFAOYSA-N -1 3 396.407 0.800 20 0 GCADHM CN(CC1CC1)S(=O)(=O)Nc1ccccc1-n1ncc(-c2nnn[n-]2)c1N ZINC000736794284 599559759 /nfs/dbraw/zinc/55/97/59/599559759.db2.gz PNEYCHZHFNNKNO-UHFFFAOYSA-N -1 3 389.445 0.633 20 0 GCADHM CN(CC1CC1)S(=O)(=O)Nc1ccccc1-n1ncc(-c2nn[n-]n2)c1N ZINC000736794284 599559762 /nfs/dbraw/zinc/55/97/62/599559762.db2.gz PNEYCHZHFNNKNO-UHFFFAOYSA-N -1 3 389.445 0.633 20 0 GCADHM O=S(=O)(NN=c1nccc[nH]1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000738346302 599561213 /nfs/dbraw/zinc/56/12/13/599561213.db2.gz YEVAPAZMIJWLGY-UHFFFAOYSA-N -1 3 386.319 0.981 20 0 GCADHM O=S(=O)(NN=c1nccc[nH]1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000738346302 599561215 /nfs/dbraw/zinc/56/12/15/599561215.db2.gz YEVAPAZMIJWLGY-UHFFFAOYSA-N -1 3 386.319 0.981 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1cnn(-c2ccc(F)cc2)n1 ZINC000738078159 599565291 /nfs/dbraw/zinc/56/52/91/599565291.db2.gz NXWRGXBQTHZKNM-UHFFFAOYSA-N -1 3 394.374 0.823 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cnn(-c2ccc(F)cc2)n1 ZINC000738078159 599565294 /nfs/dbraw/zinc/56/52/94/599565294.db2.gz NXWRGXBQTHZKNM-UHFFFAOYSA-N -1 3 394.374 0.823 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1CCC[C@@H](O)C1 ZINC000736988951 599568112 /nfs/dbraw/zinc/56/81/12/599568112.db2.gz YOFXPJSOPZWVGM-CQSZACIVSA-N -1 3 391.476 0.717 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN1CCC[C@@H](O)C1 ZINC000736988951 599568115 /nfs/dbraw/zinc/56/81/15/599568115.db2.gz YOFXPJSOPZWVGM-CQSZACIVSA-N -1 3 391.476 0.717 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000735736707 599570773 /nfs/dbraw/zinc/57/07/73/599570773.db2.gz YUNHNIIPYTVHTQ-IUODEOHRSA-N -1 3 393.469 0.916 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000735736707 599570774 /nfs/dbraw/zinc/57/07/74/599570774.db2.gz YUNHNIIPYTVHTQ-IUODEOHRSA-N -1 3 393.469 0.916 20 0 GCADHM C[C@@](O)(CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)c1ccsc1 ZINC000820467357 599571122 /nfs/dbraw/zinc/57/11/22/599571122.db2.gz FJOOQBJXXGRSEP-CQSZACIVSA-N -1 3 380.455 0.895 20 0 GCADHM C[C@@](O)(CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)c1ccsc1 ZINC000820467357 599571124 /nfs/dbraw/zinc/57/11/24/599571124.db2.gz FJOOQBJXXGRSEP-CQSZACIVSA-N -1 3 380.455 0.895 20 0 GCADHM CN1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1=O ZINC000736847770 599573132 /nfs/dbraw/zinc/57/31/32/599573132.db2.gz WRVWBAFJWVIMNW-VIFPVBQESA-N -1 3 377.792 0.196 20 0 GCADHM CN1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1=O ZINC000736847770 599573134 /nfs/dbraw/zinc/57/31/34/599573134.db2.gz WRVWBAFJWVIMNW-VIFPVBQESA-N -1 3 377.792 0.196 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820642115 599575143 /nfs/dbraw/zinc/57/51/43/599575143.db2.gz GSXJEDGWMVVVGE-MNOVXSKESA-N -1 3 389.441 0.924 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820642115 599575145 /nfs/dbraw/zinc/57/51/45/599575145.db2.gz GSXJEDGWMVVVGE-MNOVXSKESA-N -1 3 389.441 0.924 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820291976 599575300 /nfs/dbraw/zinc/57/53/00/599575300.db2.gz BIKDFFNVJRPHTR-JTQLQIEISA-N -1 3 377.430 0.782 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820291976 599575302 /nfs/dbraw/zinc/57/53/02/599575302.db2.gz BIKDFFNVJRPHTR-JTQLQIEISA-N -1 3 377.430 0.782 20 0 GCADHM COCCN(CCC(=O)OC)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821689666 599577159 /nfs/dbraw/zinc/57/71/59/599577159.db2.gz HTMNQWMEAJUROK-UHFFFAOYSA-N -1 3 387.400 0.928 20 0 GCADHM COCCN(CCC(=O)OC)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821689666 599577162 /nfs/dbraw/zinc/57/71/62/599577162.db2.gz HTMNQWMEAJUROK-UHFFFAOYSA-N -1 3 387.400 0.928 20 0 GCADHM O=C1NCCN1[C@H]1CCCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000823547918 599577387 /nfs/dbraw/zinc/57/73/87/599577387.db2.gz QNBMDURSYOZBDY-AWEZNQCLSA-N -1 3 395.427 0.906 20 0 GCADHM O=C1NCCN1[C@H]1CCCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000823547918 599577389 /nfs/dbraw/zinc/57/73/89/599577389.db2.gz QNBMDURSYOZBDY-AWEZNQCLSA-N -1 3 395.427 0.906 20 0 GCADHM CC[C@@H]1COCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736406879 599577786 /nfs/dbraw/zinc/57/77/86/599577786.db2.gz MLLWOMYPSMVZMC-RDTXWAMCSA-N -1 3 385.428 0.702 20 0 GCADHM CC[C@@H]1COCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736406879 599577790 /nfs/dbraw/zinc/57/77/90/599577790.db2.gz MLLWOMYPSMVZMC-RDTXWAMCSA-N -1 3 385.428 0.702 20 0 GCADHM CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737179491 599579246 /nfs/dbraw/zinc/57/92/46/599579246.db2.gz LCNZXONVVNEHLM-CQSZACIVSA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737179491 599579248 /nfs/dbraw/zinc/57/92/48/599579248.db2.gz LCNZXONVVNEHLM-CQSZACIVSA-N -1 3 384.849 0.689 20 0 GCADHM C[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCS1(=O)=O ZINC000736292673 599586311 /nfs/dbraw/zinc/58/63/11/599586311.db2.gz QNYCIAPKIVOPGE-BXUZGUMPSA-N -1 3 376.442 0.091 20 0 GCADHM C[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCS1(=O)=O ZINC000736292673 599586313 /nfs/dbraw/zinc/58/63/13/599586313.db2.gz QNYCIAPKIVOPGE-BXUZGUMPSA-N -1 3 376.442 0.091 20 0 GCADHM CN(CC(=O)NCc1ccccc1)[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736784599 599589421 /nfs/dbraw/zinc/58/94/21/599589421.db2.gz XDMLFTGSVYOZTM-QGZVFWFLSA-N -1 3 379.424 0.641 20 0 GCADHM CN(CC(=O)NCc1ccccc1)[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736784599 599589423 /nfs/dbraw/zinc/58/94/23/599589423.db2.gz XDMLFTGSVYOZTM-QGZVFWFLSA-N -1 3 379.424 0.641 20 0 GCADHM CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000736747644 599593671 /nfs/dbraw/zinc/59/36/71/599593671.db2.gz UDHTYOVUNXUEAF-UHFFFAOYSA-N -1 3 392.363 0.594 20 0 GCADHM COC(=O)[C@@H]1Cc2ccccc2CN1C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821657532 607385787 /nfs/dbraw/zinc/38/57/87/607385787.db2.gz PIXPRRRZRDHLID-WBMJQRKESA-N -1 3 394.439 0.705 20 0 GCADHM COC(=O)[C@@H]1Cc2ccccc2CN1C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821657532 607385790 /nfs/dbraw/zinc/38/57/90/607385790.db2.gz PIXPRRRZRDHLID-WBMJQRKESA-N -1 3 394.439 0.705 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000822313524 599596287 /nfs/dbraw/zinc/59/62/87/599596287.db2.gz NMABLTAXDASSTI-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC(C)(C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000822313524 599596288 /nfs/dbraw/zinc/59/62/88/599596288.db2.gz NMABLTAXDASSTI-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCOC[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000822319203 599597978 /nfs/dbraw/zinc/59/79/78/599597978.db2.gz MRJNVYWPAHCAFJ-CYBMUJFWSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCOC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000822319203 599597979 /nfs/dbraw/zinc/59/79/79/599597979.db2.gz MRJNVYWPAHCAFJ-CYBMUJFWSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)c1-c1nnn[n-]1 ZINC000822319116 599598400 /nfs/dbraw/zinc/59/84/00/599598400.db2.gz JCODXHJIFCDZOF-LBPRGKRZSA-N -1 3 384.396 0.674 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@@H](CO)Cc2ccco2)c1-c1nn[n-]n1 ZINC000822319116 599598402 /nfs/dbraw/zinc/59/84/02/599598402.db2.gz JCODXHJIFCDZOF-LBPRGKRZSA-N -1 3 384.396 0.674 20 0 GCADHM CC(C)(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(N)=O ZINC000819981227 599598915 /nfs/dbraw/zinc/59/89/15/599598915.db2.gz RRQPYKAMZAMXGF-UHFFFAOYSA-N -1 3 399.333 0.452 20 0 GCADHM CC(C)(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(N)=O ZINC000819981227 599598917 /nfs/dbraw/zinc/59/89/17/599598917.db2.gz RRQPYKAMZAMXGF-UHFFFAOYSA-N -1 3 399.333 0.452 20 0 GCADHM CN1C[C@H](NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCC1=O ZINC000736847705 599602866 /nfs/dbraw/zinc/60/28/66/599602866.db2.gz WIRIOKMQOFVVNT-CQSZACIVSA-N -1 3 399.459 0.151 20 0 GCADHM CN1C[C@H](NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCC1=O ZINC000736847705 599602867 /nfs/dbraw/zinc/60/28/67/599602867.db2.gz WIRIOKMQOFVVNT-CQSZACIVSA-N -1 3 399.459 0.151 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000821114492 599603957 /nfs/dbraw/zinc/60/39/57/599603957.db2.gz UPVVVHKRNYXFMU-CYBMUJFWSA-N -1 3 399.455 0.878 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000821114492 599603959 /nfs/dbraw/zinc/60/39/59/599603959.db2.gz UPVVVHKRNYXFMU-CYBMUJFWSA-N -1 3 399.455 0.878 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000821664884 599603987 /nfs/dbraw/zinc/60/39/87/599603987.db2.gz MPTUGMMJALFIKD-NSHDSACASA-N -1 3 387.400 0.461 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000821664884 599603989 /nfs/dbraw/zinc/60/39/89/599603989.db2.gz MPTUGMMJALFIKD-NSHDSACASA-N -1 3 387.400 0.461 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)c1-c1nnn[n-]1 ZINC000822319845 599604363 /nfs/dbraw/zinc/60/43/63/599604363.db2.gz ZTAJJOSCSBLDRU-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCN2CCOC(C)(C)C2)c1-c1nn[n-]n1 ZINC000822319845 599604365 /nfs/dbraw/zinc/60/43/65/599604365.db2.gz ZTAJJOSCSBLDRU-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CCCNC(=O)C1 ZINC000823535683 599605410 /nfs/dbraw/zinc/60/54/10/599605410.db2.gz DTLHHGBNJPQWGC-UHFFFAOYSA-N -1 3 397.317 0.173 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CCCNC(=O)C1 ZINC000823535683 599605411 /nfs/dbraw/zinc/60/54/11/599605411.db2.gz DTLHHGBNJPQWGC-UHFFFAOYSA-N -1 3 397.317 0.173 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822309326 599605513 /nfs/dbraw/zinc/60/55/13/599605513.db2.gz UTMQMZXZWZNDKT-MNOVXSKESA-N -1 3 394.457 0.394 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822309326 599605514 /nfs/dbraw/zinc/60/55/14/599605514.db2.gz UTMQMZXZWZNDKT-MNOVXSKESA-N -1 3 394.457 0.394 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1-c1nnn[n-]1 ZINC000822314004 599605770 /nfs/dbraw/zinc/60/57/70/599605770.db2.gz QTYMFINAKNLFIU-QWHCGFSZSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)c1-c1nn[n-]n1 ZINC000822314004 599605771 /nfs/dbraw/zinc/60/57/71/599605771.db2.gz QTYMFINAKNLFIU-QWHCGFSZSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822309325 599605918 /nfs/dbraw/zinc/60/59/18/599605918.db2.gz UTMQMZXZWZNDKT-GHMZBOCLSA-N -1 3 394.457 0.394 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822309325 599605920 /nfs/dbraw/zinc/60/59/20/599605920.db2.gz UTMQMZXZWZNDKT-GHMZBOCLSA-N -1 3 394.457 0.394 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC000821690923 599606920 /nfs/dbraw/zinc/60/69/20/599606920.db2.gz BFJBSOGWVXQNAC-CYBMUJFWSA-N -1 3 387.444 0.293 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC000821690923 599606922 /nfs/dbraw/zinc/60/69/22/599606922.db2.gz BFJBSOGWVXQNAC-CYBMUJFWSA-N -1 3 387.444 0.293 20 0 GCADHM C[S@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821943076 599607130 /nfs/dbraw/zinc/60/71/30/599607130.db2.gz SQYUFSJTQNERPO-SANMLTNESA-N -1 3 390.347 0.319 20 0 GCADHM C[S@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821943076 599607131 /nfs/dbraw/zinc/60/71/31/599607131.db2.gz SQYUFSJTQNERPO-SANMLTNESA-N -1 3 390.347 0.319 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)c1cnn(C)c1 ZINC000821400564 599608403 /nfs/dbraw/zinc/60/84/03/599608403.db2.gz LLUZPTUQJLLCJT-SNVBAGLBSA-N -1 3 384.400 0.815 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822313953 599609188 /nfs/dbraw/zinc/60/91/88/599609188.db2.gz PXJLXXZOIYNKGE-JTQLQIEISA-N -1 3 384.318 0.903 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000822313953 599609190 /nfs/dbraw/zinc/60/91/90/599609190.db2.gz PXJLXXZOIYNKGE-JTQLQIEISA-N -1 3 384.318 0.903 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@H](COC)C1 ZINC000821399726 599609927 /nfs/dbraw/zinc/60/99/27/599609927.db2.gz AHIDGKCXEVUXNX-LBPRGKRZSA-N -1 3 390.400 0.078 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@H](COC)C1 ZINC000821399726 599609929 /nfs/dbraw/zinc/60/99/29/599609929.db2.gz AHIDGKCXEVUXNX-LBPRGKRZSA-N -1 3 390.400 0.078 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000736633859 599610346 /nfs/dbraw/zinc/61/03/46/599610346.db2.gz FTSYJTYGUGWTNX-JTQLQIEISA-N -1 3 380.430 0.916 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000736633859 599610348 /nfs/dbraw/zinc/61/03/48/599610348.db2.gz FTSYJTYGUGWTNX-JTQLQIEISA-N -1 3 380.430 0.916 20 0 GCADHM COC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000821684570 599610367 /nfs/dbraw/zinc/61/03/67/599610367.db2.gz DCIADROMSJNLTK-JTQLQIEISA-N -1 3 380.792 0.332 20 0 GCADHM COC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000821684570 599610369 /nfs/dbraw/zinc/61/03/69/599610369.db2.gz DCIADROMSJNLTK-JTQLQIEISA-N -1 3 380.792 0.332 20 0 GCADHM Cc1cn2cc(NC(=O)NCCCc3[nH]nc(N)c3-c3nnn[n-]3)ccc2n1 ZINC000737445978 599612076 /nfs/dbraw/zinc/61/20/76/599612076.db2.gz MRTYJPOZPXGBFF-UHFFFAOYSA-N -1 3 381.404 0.882 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000823210766 599613530 /nfs/dbraw/zinc/61/35/30/599613530.db2.gz DILJODWDVMGDOY-UHFFFAOYSA-N -1 3 394.395 0.668 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000737003149 599614721 /nfs/dbraw/zinc/61/47/21/599614721.db2.gz USTZWYWRXMDXLZ-HNNXBMFYSA-N -1 3 397.443 0.631 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000737003149 599614723 /nfs/dbraw/zinc/61/47/23/599614723.db2.gz USTZWYWRXMDXLZ-HNNXBMFYSA-N -1 3 397.443 0.631 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCn2ccnc2C1 ZINC000736637611 599615883 /nfs/dbraw/zinc/61/58/83/599615883.db2.gz WRLPIRSYIJXCAG-UHFFFAOYSA-N -1 3 382.384 0.443 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2ccnc2C1 ZINC000736637611 599615885 /nfs/dbraw/zinc/61/58/85/599615885.db2.gz WRLPIRSYIJXCAG-UHFFFAOYSA-N -1 3 382.384 0.443 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821692179 599616082 /nfs/dbraw/zinc/61/60/82/599616082.db2.gz PZANHAISTZDTGE-NSHDSACASA-N -1 3 392.391 0.456 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821692179 599616083 /nfs/dbraw/zinc/61/60/83/599616083.db2.gz PZANHAISTZDTGE-NSHDSACASA-N -1 3 392.391 0.456 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)Cc1c(C)nn(C)c1C ZINC000737057174 599616277 /nfs/dbraw/zinc/61/62/77/599616277.db2.gz PEPWNEWTYHEVLQ-UHFFFAOYSA-N -1 3 398.427 0.823 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)Cc1c(C)nn(C)c1C ZINC000737057174 599616279 /nfs/dbraw/zinc/61/62/79/599616279.db2.gz PEPWNEWTYHEVLQ-UHFFFAOYSA-N -1 3 398.427 0.823 20 0 GCADHM Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737629482 599617056 /nfs/dbraw/zinc/61/70/56/599617056.db2.gz WCJGZQNBYYJWSV-UHFFFAOYSA-N -1 3 380.412 0.945 20 0 GCADHM Cn1nccc1C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737629482 599617058 /nfs/dbraw/zinc/61/70/58/599617058.db2.gz WCJGZQNBYYJWSV-UHFFFAOYSA-N -1 3 380.412 0.945 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC000820958785 599634461 /nfs/dbraw/zinc/63/44/61/599634461.db2.gz ZOVKNLHPKLBJKU-MRXNPFEDSA-N -1 3 375.364 0.343 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC000820958785 599634462 /nfs/dbraw/zinc/63/44/62/599634462.db2.gz ZOVKNLHPKLBJKU-MRXNPFEDSA-N -1 3 375.364 0.343 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC000820958784 599634623 /nfs/dbraw/zinc/63/46/23/599634623.db2.gz ZOVKNLHPKLBJKU-INIZCTEOSA-N -1 3 375.364 0.343 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC000820958784 599634624 /nfs/dbraw/zinc/63/46/24/599634624.db2.gz ZOVKNLHPKLBJKU-INIZCTEOSA-N -1 3 375.364 0.343 20 0 GCADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000821230711 599635591 /nfs/dbraw/zinc/63/55/91/599635591.db2.gz OGPIQJBEKVJBNY-CYBMUJFWSA-N -1 3 389.441 0.926 20 0 GCADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000821230711 599635592 /nfs/dbraw/zinc/63/55/92/599635592.db2.gz OGPIQJBEKVJBNY-CYBMUJFWSA-N -1 3 389.441 0.926 20 0 GCADHM CCN(Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000821230712 599635607 /nfs/dbraw/zinc/63/56/07/599635607.db2.gz OGPIQJBEKVJBNY-ZDUSSCGKSA-N -1 3 389.441 0.926 20 0 GCADHM CCN(Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000821230712 599635608 /nfs/dbraw/zinc/63/56/08/599635608.db2.gz OGPIQJBEKVJBNY-ZDUSSCGKSA-N -1 3 389.441 0.926 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822895380 599638720 /nfs/dbraw/zinc/63/87/20/599638720.db2.gz QBWHSWAPTXDEBZ-LBPRGKRZSA-N -1 3 390.429 0.170 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822895380 599638721 /nfs/dbraw/zinc/63/87/21/599638721.db2.gz QBWHSWAPTXDEBZ-LBPRGKRZSA-N -1 3 390.429 0.170 20 0 GCADHM O=C(CN1CCC[C@H]1CN1CCOCC1)Nc1sccc1-c1nnn[n-]1 ZINC000822997714 599643191 /nfs/dbraw/zinc/64/31/91/599643191.db2.gz VEWNAJMVPMVFSS-LBPRGKRZSA-N -1 3 377.474 0.663 20 0 GCADHM O=C(CN1CCC[C@H]1CN1CCOCC1)Nc1sccc1-c1nn[n-]n1 ZINC000822997714 599643192 /nfs/dbraw/zinc/64/31/92/599643192.db2.gz VEWNAJMVPMVFSS-LBPRGKRZSA-N -1 3 377.474 0.663 20 0 GCADHM CCc1cnc(COC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821499247 599648073 /nfs/dbraw/zinc/64/80/73/599648073.db2.gz GDHZDXMRVAMJCV-UHFFFAOYSA-N -1 3 392.397 0.439 20 0 GCADHM CCc1cnc(COC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821499247 599648074 /nfs/dbraw/zinc/64/80/74/599648074.db2.gz GDHZDXMRVAMJCV-UHFFFAOYSA-N -1 3 392.397 0.439 20 0 GCADHM Cc1cc(N2CC[C@@H](OC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822207019 599648382 /nfs/dbraw/zinc/64/83/82/599648382.db2.gz IDWRKNNZQGHADH-CQSZACIVSA-N -1 3 397.395 0.636 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000820543511 599651769 /nfs/dbraw/zinc/65/17/69/599651769.db2.gz YYTLLDTVVFEYDH-FHGNATFXSA-N -1 3 399.411 0.129 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000820543511 599651770 /nfs/dbraw/zinc/65/17/70/599651770.db2.gz YYTLLDTVVFEYDH-FHGNATFXSA-N -1 3 399.411 0.129 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)OCC(=O)C1CCCC1 ZINC000823009242 599652432 /nfs/dbraw/zinc/65/24/32/599652432.db2.gz AQDQQAYGGLEKRW-UHFFFAOYSA-N -1 3 393.425 0.448 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)OCC(=O)C1CCCC1 ZINC000823009242 599652433 /nfs/dbraw/zinc/65/24/33/599652433.db2.gz AQDQQAYGGLEKRW-UHFFFAOYSA-N -1 3 393.425 0.448 20 0 GCADHM Cn1ccc(N2CCC[C@@H](OC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822689911 599658327 /nfs/dbraw/zinc/65/83/27/599658327.db2.gz RNELDYYJGFIANI-CQSZACIVSA-N -1 3 396.411 0.751 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCCN1C(=O)NC2(CCCC2)C1=O ZINC000823014144 599658412 /nfs/dbraw/zinc/65/84/12/599658412.db2.gz HQKTXBZJJQFJKF-UHFFFAOYSA-N -1 3 399.411 0.686 20 0 GCADHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CC(=O)NC(=O)C1 ZINC000823519847 599659931 /nfs/dbraw/zinc/65/99/31/599659931.db2.gz JKLJWTWRJJBMSL-UHFFFAOYSA-N -1 3 383.324 0.013 20 0 GCADHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CC(=O)NC(=O)C1 ZINC000823519847 599659932 /nfs/dbraw/zinc/65/99/32/599659932.db2.gz JKLJWTWRJJBMSL-UHFFFAOYSA-N -1 3 383.324 0.013 20 0 GCADHM CS(=O)(=O)CCCC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821927451 599660971 /nfs/dbraw/zinc/66/09/71/599660971.db2.gz XOZXXFVLDNTDTH-UHFFFAOYSA-N -1 3 392.397 0.785 20 0 GCADHM CS(=O)(=O)CCCC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821927451 599660972 /nfs/dbraw/zinc/66/09/72/599660972.db2.gz XOZXXFVLDNTDTH-UHFFFAOYSA-N -1 3 392.397 0.785 20 0 GCADHM O=C(OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)[C@@H](O)C1CCOCC1 ZINC000823444423 599662735 /nfs/dbraw/zinc/66/27/35/599662735.db2.gz MPBVDNIXMWKNHO-AWEZNQCLSA-N -1 3 386.368 0.747 20 0 GCADHM O=C(OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)[C@@H](O)C1CCOCC1 ZINC000823444423 599662736 /nfs/dbraw/zinc/66/27/36/599662736.db2.gz MPBVDNIXMWKNHO-AWEZNQCLSA-N -1 3 386.368 0.747 20 0 GCADHM O=C(OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)[C@@H](O)C1CCOCC1 ZINC000823444322 599662846 /nfs/dbraw/zinc/66/28/46/599662846.db2.gz LHOFDQVEXXOTNO-AWEZNQCLSA-N -1 3 386.368 0.747 20 0 GCADHM O=C(OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)[C@@H](O)C1CCOCC1 ZINC000823444322 599662847 /nfs/dbraw/zinc/66/28/47/599662847.db2.gz LHOFDQVEXXOTNO-AWEZNQCLSA-N -1 3 386.368 0.747 20 0 GCADHM Cn1nc(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1C1CC1 ZINC000822705126 599665490 /nfs/dbraw/zinc/66/54/90/599665490.db2.gz WJNPIQDOXWLGEE-UHFFFAOYSA-N -1 3 381.396 0.951 20 0 GCADHM Cn1nc(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1C1CC1 ZINC000822705126 599665491 /nfs/dbraw/zinc/66/54/91/599665491.db2.gz WJNPIQDOXWLGEE-UHFFFAOYSA-N -1 3 381.396 0.951 20 0 GCADHM COC[C@](C)(O)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821681373 599666014 /nfs/dbraw/zinc/66/60/14/599666014.db2.gz JAGNVAUXAQEVCP-AYVTZFPOSA-N -1 3 383.792 0.788 20 0 GCADHM COC[C@](C)(O)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821681373 599666015 /nfs/dbraw/zinc/66/60/15/599666015.db2.gz JAGNVAUXAQEVCP-AYVTZFPOSA-N -1 3 383.792 0.788 20 0 GCADHM C[C@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820348500 599670461 /nfs/dbraw/zinc/67/04/61/599670461.db2.gz DHTZAZYLYKPIHY-NSHDSACASA-N -1 3 380.412 0.789 20 0 GCADHM C[C@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820348500 599670462 /nfs/dbraw/zinc/67/04/62/599670462.db2.gz DHTZAZYLYKPIHY-NSHDSACASA-N -1 3 380.412 0.789 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820468913 599671227 /nfs/dbraw/zinc/67/12/27/599671227.db2.gz XSLYELRSDGDTGG-TVQRCGJNSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820468913 599671228 /nfs/dbraw/zinc/67/12/28/599671228.db2.gz XSLYELRSDGDTGG-TVQRCGJNSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC000820468911 599671383 /nfs/dbraw/zinc/67/13/83/599671383.db2.gz XSLYELRSDGDTGG-NOZJJQNGSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC000820468911 599671384 /nfs/dbraw/zinc/67/13/84/599671384.db2.gz XSLYELRSDGDTGG-NOZJJQNGSA-N -1 3 379.392 0.961 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821440910 599675060 /nfs/dbraw/zinc/67/50/60/599675060.db2.gz DNEQUKXBLMZLJX-NSHDSACASA-N -1 3 382.446 0.368 20 0 GCADHM COCCOC[C@H](C)NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821692253 599677178 /nfs/dbraw/zinc/67/71/78/599677178.db2.gz SCLOCSVGGVGXJT-AWEZNQCLSA-N -1 3 389.460 0.750 20 0 GCADHM COCCOC[C@H](C)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821692253 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GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCc1cn(CC(=O)OC(C)(C)C)nn1 ZINC000826358538 607403354 /nfs/dbraw/zinc/40/33/54/607403354.db2.gz XSCAEGBPIJSMQX-UHFFFAOYSA-N -1 3 388.388 0.495 20 0 GCADHM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000738473538 599882947 /nfs/dbraw/zinc/88/29/47/599882947.db2.gz SMOUGEMPJVKOSU-AWEZNQCLSA-N -1 3 375.425 0.997 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2OC)C1=O ZINC000820958202 607407942 /nfs/dbraw/zinc/40/79/42/607407942.db2.gz SRPFGAIFXYUJPN-KRWDZBQOSA-N -1 3 388.384 0.639 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2OC)C1=O ZINC000820958202 607407943 /nfs/dbraw/zinc/40/79/43/607407943.db2.gz SRPFGAIFXYUJPN-KRWDZBQOSA-N -1 3 388.384 0.639 20 0 GCADHM Cc1ccccc1CN1CCCN(C(=O)CN2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000676233793 599968054 /nfs/dbraw/zinc/96/80/54/599968054.db2.gz UTVHOMVBYAXKPD-GOSISDBHSA-N -1 3 375.469 0.815 20 0 GCADHM CCN1CCN(c2ccc(NC(=O)CN3CCO[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000737122623 599975231 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20 0 GCADHM COC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826152149 607412427 /nfs/dbraw/zinc/41/24/27/607412427.db2.gz RSHVDSTXCIHEAR-YGRLFVJLSA-N -1 3 395.441 0.502 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000821745248 607412419 /nfs/dbraw/zinc/41/24/19/607412419.db2.gz LXUVVKGVOIISNV-UHFFFAOYSA-N -1 3 396.367 0.062 20 0 GCADHM COC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826152149 607412428 /nfs/dbraw/zinc/41/24/28/607412428.db2.gz RSHVDSTXCIHEAR-YGRLFVJLSA-N -1 3 395.441 0.502 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000826245205 607412502 /nfs/dbraw/zinc/41/25/02/607412502.db2.gz QMZXZJGVDJKKFL-GOSISDBHSA-N -1 3 383.412 0.720 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000826245205 607412503 /nfs/dbraw/zinc/41/25/03/607412503.db2.gz QMZXZJGVDJKKFL-GOSISDBHSA-N -1 3 383.412 0.720 20 0 GCADHM COC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826152148 607412585 /nfs/dbraw/zinc/41/25/85/607412585.db2.gz RSHVDSTXCIHEAR-QMTHXVAHSA-N -1 3 395.441 0.502 20 0 GCADHM COC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826152148 607412586 /nfs/dbraw/zinc/41/25/86/607412586.db2.gz RSHVDSTXCIHEAR-QMTHXVAHSA-N -1 3 395.441 0.502 20 0 GCADHM Cc1ccc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)nc1 ZINC000822238612 607412692 /nfs/dbraw/zinc/41/26/92/607412692.db2.gz OCPLNGXNMROYLP-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM Cc1ccc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)nc1 ZINC000822238612 607412695 /nfs/dbraw/zinc/41/26/95/607412695.db2.gz OCPLNGXNMROYLP-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM COC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826151570 607412786 /nfs/dbraw/zinc/41/27/86/607412786.db2.gz DRRHPTRJJUQDMK-HZMBPMFUSA-N -1 3 395.441 0.502 20 0 GCADHM COC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826151570 607412788 /nfs/dbraw/zinc/41/27/88/607412788.db2.gz DRRHPTRJJUQDMK-HZMBPMFUSA-N -1 3 395.441 0.502 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C=Cc1cn(C)c(=O)n(C)c1=O ZINC000826253209 607413112 /nfs/dbraw/zinc/41/31/12/607413112.db2.gz IDQXESVPYFZJDX-VOTSOKGWSA-N -1 3 382.380 0.329 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C=Cc1cn(C)c(=O)n(C)c1=O ZINC000826253209 607413113 /nfs/dbraw/zinc/41/31/13/607413113.db2.gz IDQXESVPYFZJDX-VOTSOKGWSA-N -1 3 382.380 0.329 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC000824296013 607413572 /nfs/dbraw/zinc/41/35/72/607413572.db2.gz CTTOXKPJVHYHGS-SFHVURJKSA-N -1 3 398.427 0.210 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC000824296219 607413624 /nfs/dbraw/zinc/41/36/24/607413624.db2.gz FLVCCFTYHJXKDH-GOSISDBHSA-N -1 3 399.411 0.177 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)C1=O ZINC000824296546 607413898 /nfs/dbraw/zinc/41/38/98/607413898.db2.gz ITVQOGGXIDRISS-GOSISDBHSA-N -1 3 383.412 0.341 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC000824296546 607413899 /nfs/dbraw/zinc/41/38/99/607413899.db2.gz ITVQOGGXIDRISS-GOSISDBHSA-N -1 3 383.412 0.341 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824296364 607413926 /nfs/dbraw/zinc/41/39/26/607413926.db2.gz GQRJKVPOYNLANK-GOSISDBHSA-N -1 3 399.411 0.177 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824296364 607413928 /nfs/dbraw/zinc/41/39/28/607413928.db2.gz GQRJKVPOYNLANK-GOSISDBHSA-N -1 3 399.411 0.177 20 0 GCADHM CN(C)CCn1nnnc1SCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000737368937 600025867 /nfs/dbraw/zinc/02/58/67/600025867.db2.gz XAXFABDKMKMLLQ-UHFFFAOYSA-N -1 3 375.414 0.874 20 0 GCADHM CN1CCN(Cc2ccc(CNC(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)CC1 ZINC000737529222 600034586 /nfs/dbraw/zinc/03/45/86/600034586.db2.gz URVZAMFOJRYTRD-KRWDZBQOSA-N -1 3 376.457 0.429 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)[C@@H](CO)NC(=O)c1ccccc1 ZINC000821736225 607415126 /nfs/dbraw/zinc/41/51/26/607415126.db2.gz HHROCKXHOQUHLX-OAHLLOKOSA-N -1 3 397.391 0.709 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)[C@@H](CO)NC(=O)c1ccccc1 ZINC000821736225 607415127 /nfs/dbraw/zinc/41/51/27/607415127.db2.gz HHROCKXHOQUHLX-OAHLLOKOSA-N -1 3 397.391 0.709 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826394408 607416748 /nfs/dbraw/zinc/41/67/48/607416748.db2.gz JDLYZANSPWAWIL-UHFFFAOYSA-N -1 3 398.448 0.862 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826394408 607416750 /nfs/dbraw/zinc/41/67/50/607416750.db2.gz JDLYZANSPWAWIL-UHFFFAOYSA-N -1 3 398.448 0.862 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826233442 607425709 /nfs/dbraw/zinc/42/57/09/607425709.db2.gz HMKAMFLHIWMBMQ-UHFFFAOYSA-N -1 3 390.407 0.859 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826233442 607425710 /nfs/dbraw/zinc/42/57/10/607425710.db2.gz HMKAMFLHIWMBMQ-UHFFFAOYSA-N -1 3 390.407 0.859 20 0 GCADHM COC(=O)C[C@@H]1CCCN1C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000821658998 607421133 /nfs/dbraw/zinc/42/11/33/607421133.db2.gz OHTGFLWWCCLWEN-LBPRGKRZSA-N -1 3 375.385 0.808 20 0 GCADHM COC(=O)C[C@@H]1CCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000821658998 607421135 /nfs/dbraw/zinc/42/11/35/607421135.db2.gz OHTGFLWWCCLWEN-LBPRGKRZSA-N -1 3 375.385 0.808 20 0 GCADHM CCN1CCN(c2ccc(NC(=O)COC(=O)CCNC(=O)[O-])cc2)CC1 ZINC000737123315 600199519 /nfs/dbraw/zinc/19/95/19/600199519.db2.gz RTCPJMDQUHQXRQ-UHFFFAOYSA-N -1 3 378.429 0.968 20 0 GCADHM Cc1nnc(CN(C)CC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)n1C ZINC000826335277 607427837 /nfs/dbraw/zinc/42/78/37/607427837.db2.gz GYLWLSXLFZXZPB-UHFFFAOYSA-N -1 3 381.444 0.541 20 0 GCADHM Cc1nnc(CN(C)CC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)n1C ZINC000826335277 607427839 /nfs/dbraw/zinc/42/78/39/607427839.db2.gz GYLWLSXLFZXZPB-UHFFFAOYSA-N -1 3 381.444 0.541 20 0 GCADHM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000737566882 600243041 /nfs/dbraw/zinc/24/30/41/600243041.db2.gz NRVQPBSPISSDFS-INIZCTEOSA-N -1 3 377.441 0.963 20 0 GCADHM Cc1conc1NC(=O)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822403666 607437231 /nfs/dbraw/zinc/43/72/31/607437231.db2.gz RPGDJOZDVGTBIO-UHFFFAOYSA-N -1 3 382.384 0.450 20 0 GCADHM Cc1conc1NC(=O)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822403666 607437232 /nfs/dbraw/zinc/43/72/32/607437232.db2.gz RPGDJOZDVGTBIO-UHFFFAOYSA-N -1 3 382.384 0.450 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2cnn(C)c2)cc1-c1nnn[n-]1 ZINC000820159925 607436562 /nfs/dbraw/zinc/43/65/62/607436562.db2.gz BREPVJVSVGQMSR-UHFFFAOYSA-N -1 3 384.400 0.642 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2cnn(C)c2)cc1-c1nn[n-]n1 ZINC000820159925 607436564 /nfs/dbraw/zinc/43/65/64/607436564.db2.gz BREPVJVSVGQMSR-UHFFFAOYSA-N -1 3 384.400 0.642 20 0 GCADHM CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821449043 607436841 /nfs/dbraw/zinc/43/68/41/607436841.db2.gz PVFHTMFGJKBEJQ-HHHXNRCGSA-N -1 3 394.457 0.477 20 0 GCADHM CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821449043 607436843 /nfs/dbraw/zinc/43/68/43/607436843.db2.gz PVFHTMFGJKBEJQ-HHHXNRCGSA-N -1 3 394.457 0.477 20 0 GCADHM Cc1conc1NC(=O)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822403841 607437064 /nfs/dbraw/zinc/43/70/64/607437064.db2.gz WYTNDQQAJSZMPU-UHFFFAOYSA-N -1 3 396.411 0.841 20 0 GCADHM Cc1conc1NC(=O)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822403841 607437066 /nfs/dbraw/zinc/43/70/66/607437066.db2.gz WYTNDQQAJSZMPU-UHFFFAOYSA-N -1 3 396.411 0.841 20 0 GCADHM CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000820854531 607438218 /nfs/dbraw/zinc/43/82/18/607438218.db2.gz WZMPEZBJSSUGCF-KRWDZBQOSA-N -1 3 376.417 0.870 20 0 GCADHM CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000820854531 607438220 /nfs/dbraw/zinc/43/82/20/607438220.db2.gz WZMPEZBJSSUGCF-KRWDZBQOSA-N -1 3 376.417 0.870 20 0 GCADHM CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000737116972 600362056 /nfs/dbraw/zinc/36/20/56/600362056.db2.gz SQJWFFVEWOZJDU-UHFFFAOYSA-N -1 3 391.472 0.537 20 0 GCADHM COCCN1CCC(NC(=O)C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000737809567 600368135 /nfs/dbraw/zinc/36/81/35/600368135.db2.gz PAKJKOGFUPITLU-UHFFFAOYSA-N -1 3 392.456 0.962 20 0 GCADHM COCCN1CCC(NC(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000737807454 600368154 /nfs/dbraw/zinc/36/81/54/600368154.db2.gz GAIKXIOWRDLFKI-UHFFFAOYSA-N -1 3 378.429 0.620 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C(=O)[O-] ZINC000736574111 600371024 /nfs/dbraw/zinc/37/10/24/600371024.db2.gz ZXSKBLJTXDLQJP-OAHLLOKOSA-N -1 3 397.497 0.313 20 0 GCADHM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821659341 607439480 /nfs/dbraw/zinc/43/94/80/607439480.db2.gz ZRQNTZPADLWIPQ-JTQLQIEISA-N -1 3 376.348 0.498 20 0 GCADHM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821659341 607439482 /nfs/dbraw/zinc/43/94/82/607439482.db2.gz ZRQNTZPADLWIPQ-JTQLQIEISA-N -1 3 376.348 0.498 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000821756758 607439563 /nfs/dbraw/zinc/43/95/63/607439563.db2.gz RLRKXLYURXMEDW-VIFPVBQESA-N -1 3 390.400 0.660 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC000821756758 607439564 /nfs/dbraw/zinc/43/95/64/607439564.db2.gz RLRKXLYURXMEDW-VIFPVBQESA-N -1 3 390.400 0.660 20 0 GCADHM Cn1ccnc1[C@@H](O)C1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822698990 607442167 /nfs/dbraw/zinc/44/21/67/607442167.db2.gz KNNWQFBGUZAJDI-KRWDZBQOSA-N -1 3 397.439 0.951 20 0 GCADHM CC(C)[C@@H](C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)N1CCCS1(=O)=O ZINC000820017317 607444323 /nfs/dbraw/zinc/44/43/23/607444323.db2.gz VGDVODFXZPGRJI-HNNXBMFYSA-N -1 3 392.485 0.885 20 0 GCADHM CC(C)[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)N1CCCS1(=O)=O ZINC000820017317 607444324 /nfs/dbraw/zinc/44/43/24/607444324.db2.gz VGDVODFXZPGRJI-HNNXBMFYSA-N -1 3 392.485 0.885 20 0 GCADHM CN(C)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000737367524 600466563 /nfs/dbraw/zinc/46/65/63/600466563.db2.gz MKKCTMWHLXXBIQ-HNNXBMFYSA-N -1 3 390.440 0.382 20 0 GCADHM CN(C(=O)[O-])c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000737329465 600468695 /nfs/dbraw/zinc/46/86/95/600468695.db2.gz NDGSIEYODCDTTI-GJZGRUSLSA-N -1 3 376.413 0.719 20 0 GCADHM O=C([O-])COc1cccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000738616148 600469530 /nfs/dbraw/zinc/46/95/30/600469530.db2.gz MLSHQHMONRPFFO-UKRRQHHQSA-N -1 3 377.397 0.068 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2)C1=O ZINC000824296674 607448224 /nfs/dbraw/zinc/44/82/24/607448224.db2.gz KFAKAPDKFQRNGI-GOSISDBHSA-N -1 3 398.427 0.481 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC000824296674 607448225 /nfs/dbraw/zinc/44/82/25/607448225.db2.gz KFAKAPDKFQRNGI-GOSISDBHSA-N -1 3 398.427 0.481 20 0 GCADHM 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607502638 /nfs/dbraw/zinc/50/26/38/607502638.db2.gz BENBMPQSMCLJAK-LBPRGKRZSA-N -1 3 398.345 0.915 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000820833177 607505526 /nfs/dbraw/zinc/50/55/26/607505526.db2.gz SRCRAORIWXAFEG-RYUDHWBXSA-N -1 3 386.412 0.995 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000820833177 607505528 /nfs/dbraw/zinc/50/55/28/607505528.db2.gz SRCRAORIWXAFEG-RYUDHWBXSA-N -1 3 386.412 0.995 20 0 GCADHM CNC(=O)C(C)(C)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826050836 607511453 /nfs/dbraw/zinc/51/14/53/607511453.db2.gz FRGBTZOYPRMLEV-UHFFFAOYSA-N -1 3 383.416 0.137 20 0 GCADHM CNC(=O)C(C)(C)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826050836 607511455 /nfs/dbraw/zinc/51/14/55/607511455.db2.gz FRGBTZOYPRMLEV-UHFFFAOYSA-N -1 3 383.416 0.137 20 0 GCADHM CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000825068819 607511943 /nfs/dbraw/zinc/51/19/43/607511943.db2.gz 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CCN1CCN(c2ccc(NC(=O)CN3CCOC[C@H]3C(=O)[O-])cc2)CC1 ZINC000829780127 601562251 /nfs/dbraw/zinc/56/22/51/601562251.db2.gz BVQTYHYZXBIVOR-KRWDZBQOSA-N -1 3 376.457 0.552 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000826412955 607514509 /nfs/dbraw/zinc/51/45/09/607514509.db2.gz KSWAADMYPWOSBO-GFCCVEGCSA-N -1 3 397.361 0.948 20 0 GCADHM CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1csnc1C(=O)[O-] ZINC000829765226 601575095 /nfs/dbraw/zinc/57/50/95/601575095.db2.gz MWLTXHNCZYXCQN-LBPRGKRZSA-N -1 3 390.531 0.878 20 0 GCADHM Cn1nccc1NC(=O)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826366717 607516359 /nfs/dbraw/zinc/51/63/59/607516359.db2.gz UXOKUQGMSQFXQU-UHFFFAOYSA-N -1 3 396.411 0.609 20 0 GCADHM Cn1nccc1NC(=O)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826366717 607516361 /nfs/dbraw/zinc/51/63/61/607516361.db2.gz UXOKUQGMSQFXQU-UHFFFAOYSA-N -1 3 396.411 0.609 20 0 GCADHM CCN1C[C@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)[C@@H](C)C1 ZINC000829744332 601601794 /nfs/dbraw/zinc/60/17/94/601601794.db2.gz HNPHDXXASAYQII-GWCFXTLKSA-N -1 3 379.413 0.797 20 0 GCADHM CCN1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC000829745862 601602169 /nfs/dbraw/zinc/60/21/69/601602169.db2.gz TZGFRIFMWHZIKS-SWLSCSKDSA-N -1 3 390.440 0.286 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CO)CC(C)(C)C ZINC000826184835 607518361 /nfs/dbraw/zinc/51/83/61/607518361.db2.gz MPFZYUAJOHYCKX-NSHDSACASA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CO)CC(C)(C)C ZINC000826184835 607518363 /nfs/dbraw/zinc/51/83/63/607518363.db2.gz MPFZYUAJOHYCKX-NSHDSACASA-N -1 3 376.417 0.727 20 0 GCADHM O=C(CN1CCN(Cc2ccnc(-c3nnn[n-]3)c2)CC1)NC1CCCCC1 ZINC000826411186 607521197 /nfs/dbraw/zinc/52/11/97/607521197.db2.gz OCCSDWJSQFEVSN-UHFFFAOYSA-N -1 3 384.488 0.828 20 0 GCADHM Cc1c(C(=O)N[C@]2(C(=O)[O-])CCOC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000832849729 601723641 /nfs/dbraw/zinc/72/36/41/601723641.db2.gz QHHNOTIGZWRRPH-LJQANCHMSA-N -1 3 385.424 0.537 20 0 GCADHM COC(=O)C1(NCc2ccc(OC)c(-c3nnn[n-]3)c2)CCS(=O)(=O)CC1 ZINC000826123643 607523750 /nfs/dbraw/zinc/52/37/50/607523750.db2.gz IHQURTFJGZUFED-UHFFFAOYSA-N -1 3 395.441 0.085 20 0 GCADHM COC(=O)C1(NCc2ccc(OC)c(-c3nn[n-]n3)c2)CCS(=O)(=O)CC1 ZINC000826123643 607523751 /nfs/dbraw/zinc/52/37/51/607523751.db2.gz IHQURTFJGZUFED-UHFFFAOYSA-N -1 3 395.441 0.085 20 0 GCADHM O=C(CN1CSCC1=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833109121 601731743 /nfs/dbraw/zinc/73/17/43/601731743.db2.gz HYTUVGRYYGUTRS-GOSISDBHSA-N -1 3 377.466 0.755 20 0 GCADHM CC(C)N1C[C@@H](C)[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000828423497 601768278 /nfs/dbraw/zinc/76/82/78/601768278.db2.gz KPSBSMJWFVYGTH-WWGRRREGSA-N -1 3 375.425 0.710 20 0 GCADHM COc1ccnc(N2CCN(Cc3cc(-c4nn[n-]n4)ccc3OC)CC2)n1 ZINC000826221005 607526363 /nfs/dbraw/zinc/52/63/63/607526363.db2.gz KMGMPQKRKNZDHH-UHFFFAOYSA-N -1 3 382.428 0.996 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c(C(=O)[O-])s1 ZINC000831337745 601807557 /nfs/dbraw/zinc/80/75/57/601807557.db2.gz IXBWXOCCXHGPQH-BDAKNGLRSA-N -1 3 376.456 0.804 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000824448139 607529065 /nfs/dbraw/zinc/52/90/65/607529065.db2.gz GFAMTUWTVGMWPK-JTQLQIEISA-N -1 3 389.441 0.554 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000824448139 607529067 /nfs/dbraw/zinc/52/90/67/607529067.db2.gz GFAMTUWTVGMWPK-JTQLQIEISA-N -1 3 389.441 0.554 20 0 GCADHM O=C([O-])C[C@@H]1CSCCN1C[C@@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000833222068 601921511 /nfs/dbraw/zinc/92/15/11/601921511.db2.gz RTSYZGJBDCBUCX-ZIAGYGMSSA-N -1 3 379.438 0.756 20 0 GCADHM O=S(=O)(Cc1nccs1)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826487056 607537742 /nfs/dbraw/zinc/53/77/42/607537742.db2.gz BRONEFRZOMRUKR-NSHDSACASA-N -1 3 381.439 0.678 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000826357807 607540215 /nfs/dbraw/zinc/54/02/15/607540215.db2.gz RMTRZXUPZKKRGV-SNVBAGLBSA-N -1 3 397.403 0.891 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C ZINC000826357807 607540216 /nfs/dbraw/zinc/54/02/16/607540216.db2.gz RMTRZXUPZKKRGV-SNVBAGLBSA-N -1 3 397.403 0.891 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000828252325 602060983 /nfs/dbraw/zinc/06/09/83/602060983.db2.gz RZVUQFCQROKLNY-VXGBXAGGSA-N -1 3 389.474 0.013 20 0 GCADHM COC(=O)c1cccc(NC(=O)CNC2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC000831453310 602061824 /nfs/dbraw/zinc/06/18/24/602061824.db2.gz NKDAYMFVIACVLF-UHFFFAOYSA-N -1 3 384.410 0.033 20 0 GCADHM CN1CCC[C@H](NC(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)C1 ZINC000830935002 602062521 /nfs/dbraw/zinc/06/25/21/602062521.db2.gz OEERGMBWZXFSCC-HNNXBMFYSA-N -1 3 383.470 0.579 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)no1 ZINC000826269433 607545153 /nfs/dbraw/zinc/54/51/53/607545153.db2.gz LXUDLHAQFFBLID-UHFFFAOYSA-N -1 3 391.413 0.731 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)no1 ZINC000826269433 607545155 /nfs/dbraw/zinc/54/51/55/607545155.db2.gz LXUDLHAQFFBLID-UHFFFAOYSA-N -1 3 391.413 0.731 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826301987 607547592 /nfs/dbraw/zinc/54/75/92/607547592.db2.gz XDGHGGSQOUYYHS-INIZCTEOSA-N -1 3 398.448 0.949 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826301987 607547593 /nfs/dbraw/zinc/54/75/93/607547593.db2.gz XDGHGGSQOUYYHS-INIZCTEOSA-N -1 3 398.448 0.949 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826301988 607547659 /nfs/dbraw/zinc/54/76/59/607547659.db2.gz XDGHGGSQOUYYHS-MRXNPFEDSA-N -1 3 398.448 0.949 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826301988 607547661 /nfs/dbraw/zinc/54/76/61/607547661.db2.gz XDGHGGSQOUYYHS-MRXNPFEDSA-N -1 3 398.448 0.949 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826301360 607548725 /nfs/dbraw/zinc/54/87/25/607548725.db2.gz BZULJSBEBGHKHN-CYBMUJFWSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC[C@@H](N3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826301360 607548726 /nfs/dbraw/zinc/54/87/26/607548726.db2.gz BZULJSBEBGHKHN-CYBMUJFWSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826301361 607548731 /nfs/dbraw/zinc/54/87/31/607548731.db2.gz BZULJSBEBGHKHN-ZDUSSCGKSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC[C@H](N3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826301361 607548732 /nfs/dbraw/zinc/54/87/32/607548732.db2.gz BZULJSBEBGHKHN-ZDUSSCGKSA-N -1 3 378.458 0.270 20 0 GCADHM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1nc(-c2nc[nH]n2)no1 ZINC000824072025 607552676 /nfs/dbraw/zinc/55/26/76/607552676.db2.gz RABXSZMRKDIPFU-JTQLQIEISA-N -1 3 395.387 0.947 20 0 GCADHM CC(C)(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1nc(-c2nc[nH]n2)no1 ZINC000824072025 607552678 /nfs/dbraw/zinc/55/26/78/607552678.db2.gz RABXSZMRKDIPFU-JTQLQIEISA-N -1 3 395.387 0.947 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083729 607552940 /nfs/dbraw/zinc/55/29/40/607552940.db2.gz PADCKATUNRLKJK-GFCCVEGCSA-N -1 3 382.471 0.109 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083729 607552942 /nfs/dbraw/zinc/55/29/42/607552942.db2.gz PADCKATUNRLKJK-GFCCVEGCSA-N -1 3 382.471 0.109 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000830934272 602221789 /nfs/dbraw/zinc/22/17/89/602221789.db2.gz CRNRNOZSXYSWNS-INIZCTEOSA-N -1 3 395.481 0.241 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000830934768 602221897 /nfs/dbraw/zinc/22/18/97/602221897.db2.gz KJWFQUCFPQSYQH-INIZCTEOSA-N -1 3 395.481 0.453 20 0 GCADHM CCOC(=O)CCCS(=O)(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825512110 607553399 /nfs/dbraw/zinc/55/33/99/607553399.db2.gz UBOSJKQZYIDRGM-UHFFFAOYSA-N -1 3 383.430 0.638 20 0 GCADHM CCOC(=O)CCCS(=O)(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825512110 607553400 /nfs/dbraw/zinc/55/34/00/607553400.db2.gz UBOSJKQZYIDRGM-UHFFFAOYSA-N -1 3 383.430 0.638 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)CN2CCOCC2)cc1-c1nnn[n-]1 ZINC000826199327 607557913 /nfs/dbraw/zinc/55/79/13/607557913.db2.gz WBUOGDJCTZFBLY-GFCCVEGCSA-N -1 3 375.433 0.395 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)CN2CCOCC2)cc1-c1nn[n-]n1 ZINC000826199327 607557915 /nfs/dbraw/zinc/55/79/15/607557915.db2.gz WBUOGDJCTZFBLY-GFCCVEGCSA-N -1 3 375.433 0.395 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000825599540 607559325 /nfs/dbraw/zinc/55/93/25/607559325.db2.gz NBTFFAVJUABSHD-LBPRGKRZSA-N -1 3 392.391 0.598 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000825599540 607559328 /nfs/dbraw/zinc/55/93/28/607559328.db2.gz NBTFFAVJUABSHD-LBPRGKRZSA-N -1 3 392.391 0.598 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000825599112 607559748 /nfs/dbraw/zinc/55/97/48/607559748.db2.gz HTGZJDZJSMKOCB-ZDUSSCGKSA-N -1 3 388.428 0.768 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000825599112 607559749 /nfs/dbraw/zinc/55/97/49/607559749.db2.gz HTGZJDZJSMKOCB-ZDUSSCGKSA-N -1 3 388.428 0.768 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000825599699 607559792 /nfs/dbraw/zinc/55/97/92/607559792.db2.gz PXMRMRSGBRJBPR-LBPRGKRZSA-N -1 3 392.391 0.598 20 0 GCADHM CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000825599699 607559793 /nfs/dbraw/zinc/55/97/93/607559793.db2.gz PXMRMRSGBRJBPR-LBPRGKRZSA-N -1 3 392.391 0.598 20 0 GCADHM O=C(COC(=O)c1cnn2c1CCCC2)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826416644 607564431 /nfs/dbraw/zinc/56/44/31/607564431.db2.gz IWSYBXYEZKRMJM-UHFFFAOYSA-N -1 3 381.396 0.873 20 0 GCADHM O=C(COC(=O)c1cnn2c1CCCC2)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826416644 607564433 /nfs/dbraw/zinc/56/44/33/607564433.db2.gz IWSYBXYEZKRMJM-UHFFFAOYSA-N -1 3 381.396 0.873 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)c2nnc3n2CCC3)cc1-c1nnn[n-]1 ZINC000826199335 607564986 /nfs/dbraw/zinc/56/49/86/607564986.db2.gz WHSFGDFZSKLAON-SNVBAGLBSA-N -1 3 383.416 0.973 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)c2nnc3n2CCC3)cc1-c1nn[n-]n1 ZINC000826199335 607564988 /nfs/dbraw/zinc/56/49/88/607564988.db2.gz WHSFGDFZSKLAON-SNVBAGLBSA-N -1 3 383.416 0.973 20 0 GCADHM COc1ccc(CNC(=O)NCc2nnc3n2CCCC3)cc1-c1nnn[n-]1 ZINC000826200158 607565141 /nfs/dbraw/zinc/56/51/41/607565141.db2.gz ASZGGSWNHFAGTI-UHFFFAOYSA-N -1 3 383.416 0.803 20 0 GCADHM COc1ccc(CNC(=O)NCc2nnc3n2CCCC3)cc1-c1nn[n-]n1 ZINC000826200158 607565142 /nfs/dbraw/zinc/56/51/42/607565142.db2.gz ASZGGSWNHFAGTI-UHFFFAOYSA-N -1 3 383.416 0.803 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)CC2 ZINC000826337531 607566054 /nfs/dbraw/zinc/56/60/54/607566054.db2.gz RQVYYJAURBUSDX-ZYHUDNBSSA-N -1 3 396.411 0.899 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000826337531 607566056 /nfs/dbraw/zinc/56/60/56/607566056.db2.gz RQVYYJAURBUSDX-ZYHUDNBSSA-N -1 3 396.411 0.899 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)CC2 ZINC000826337639 607566088 /nfs/dbraw/zinc/56/60/88/607566088.db2.gz VQLHCMTYKIZGAP-SECBINFHSA-N -1 3 388.413 0.572 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)CC2 ZINC000826337639 607566091 /nfs/dbraw/zinc/56/60/91/607566091.db2.gz VQLHCMTYKIZGAP-SECBINFHSA-N -1 3 388.413 0.572 20 0 GCADHM O=C([C@@H]1CCn2cncc2C1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826399309 607570064 /nfs/dbraw/zinc/57/00/64/607570064.db2.gz SEANNLRVRQNZHJ-QGZVFWFLSA-N -1 3 392.467 0.970 20 0 GCADHM O=C([C@@H]1CCn2cncc2C1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826399436 607570108 /nfs/dbraw/zinc/57/01/08/607570108.db2.gz VTJAGAHJUYPSFX-CQSZACIVSA-N -1 3 379.428 0.369 20 0 GCADHM O=C([C@@H]1CCn2cncc2C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826399436 607570110 /nfs/dbraw/zinc/57/01/10/607570110.db2.gz VTJAGAHJUYPSFX-CQSZACIVSA-N -1 3 379.428 0.369 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826398633 607571126 /nfs/dbraw/zinc/57/11/26/607571126.db2.gz AUCSUFTYROLOGB-AWEZNQCLSA-N -1 3 378.440 0.974 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826398633 607571127 /nfs/dbraw/zinc/57/11/27/607571127.db2.gz AUCSUFTYROLOGB-AWEZNQCLSA-N -1 3 378.440 0.974 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(C(=O)N(C)C)CC2)cc1-c1nnn[n-]1 ZINC000826197741 607572568 /nfs/dbraw/zinc/57/25/68/607572568.db2.gz BKQNWGAXLCGCBJ-UHFFFAOYSA-N -1 3 388.432 0.384 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(C(=O)N(C)C)CC2)cc1-c1nn[n-]n1 ZINC000826197741 607572569 /nfs/dbraw/zinc/57/25/69/607572569.db2.gz BKQNWGAXLCGCBJ-UHFFFAOYSA-N -1 3 388.432 0.384 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(CC(F)F)CC2)cc1-c1nnn[n-]1 ZINC000826198156 607573012 /nfs/dbraw/zinc/57/30/12/607573012.db2.gz NZYUECGLOJIDBN-UHFFFAOYSA-N -1 3 381.387 0.968 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(CC(F)F)CC2)cc1-c1nn[n-]n1 ZINC000826198156 607573014 /nfs/dbraw/zinc/57/30/14/607573014.db2.gz NZYUECGLOJIDBN-UHFFFAOYSA-N -1 3 381.387 0.968 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826197673 607574334 /nfs/dbraw/zinc/57/43/34/607574334.db2.gz YZFCDJOZADJYSV-MNOVXSKESA-N -1 3 396.473 0.838 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826197673 607574336 /nfs/dbraw/zinc/57/43/36/607574336.db2.gz YZFCDJOZADJYSV-MNOVXSKESA-N -1 3 396.473 0.838 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1-c1nnn[n-]1 ZINC000826198203 607576128 /nfs/dbraw/zinc/57/61/28/607576128.db2.gz QBEFRSMSSMHIEK-HZPDHXFCSA-N -1 3 388.428 0.965 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1-c1nn[n-]n1 ZINC000826198203 607576130 /nfs/dbraw/zinc/57/61/30/607576130.db2.gz QBEFRSMSSMHIEK-HZPDHXFCSA-N -1 3 388.428 0.965 20 0 GCADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825394429 607576870 /nfs/dbraw/zinc/57/68/70/607576870.db2.gz CLZRSGNITAKTHD-SNVBAGLBSA-N -1 3 389.434 0.204 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826302520 607577112 /nfs/dbraw/zinc/57/71/12/607577112.db2.gz LSNOSXJYVZTJHS-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC(C)(C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826302520 607577114 /nfs/dbraw/zinc/57/71/14/607577114.db2.gz LSNOSXJYVZTJHS-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826393558 607579331 /nfs/dbraw/zinc/57/93/31/607579331.db2.gz YCSIDRDVRUUHDH-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM CC(C)NC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824304590 607579554 /nfs/dbraw/zinc/57/95/54/607579554.db2.gz BYRAKCXUCYXESZ-UHFFFAOYSA-N -1 3 392.363 0.688 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)NCc1ccco1 ZINC000826413235 607581066 /nfs/dbraw/zinc/58/10/66/607581066.db2.gz XDCXTLWZIZGOBG-UHFFFAOYSA-N -1 3 380.361 0.194 20 0 GCADHM Cc1cccc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)c1-c1nnn[n-]1 ZINC000826302490 607582118 /nfs/dbraw/zinc/58/21/18/607582118.db2.gz KZOJSUQQONWOTG-UHFFFAOYSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1cccc(S(=O)(=O)NC2CCN(C(=O)C3CC3)CC2)c1-c1nn[n-]n1 ZINC000826302490 607582120 /nfs/dbraw/zinc/58/21/20/607582120.db2.gz KZOJSUQQONWOTG-UHFFFAOYSA-N -1 3 390.469 0.854 20 0 GCADHM NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826388736 607582342 /nfs/dbraw/zinc/58/23/42/607582342.db2.gz ICFZLJPFSCODHA-ZDUSSCGKSA-N -1 3 376.373 0.511 20 0 GCADHM COc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1-c1nnn[n-]1 ZINC000826201522 607583133 /nfs/dbraw/zinc/58/31/33/607583133.db2.gz UMVUHQABFMBIQO-UHFFFAOYSA-N -1 3 385.409 0.468 20 0 GCADHM COc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1-c1nn[n-]n1 ZINC000826201522 607583134 /nfs/dbraw/zinc/58/31/34/607583134.db2.gz UMVUHQABFMBIQO-UHFFFAOYSA-N -1 3 385.409 0.468 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(CNC(N)=O)cc2)cc1-c1nnn[n-]1 ZINC000826201295 607584911 /nfs/dbraw/zinc/58/49/11/607584911.db2.gz JQBSLORDPZRTBL-UHFFFAOYSA-N -1 3 381.396 0.974 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(CNC(N)=O)cc2)cc1-c1nn[n-]n1 ZINC000826201295 607584912 /nfs/dbraw/zinc/58/49/12/607584912.db2.gz JQBSLORDPZRTBL-UHFFFAOYSA-N -1 3 381.396 0.974 20 0 GCADHM COc1ccc(CNC(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1-c1nnn[n-]1 ZINC000826200961 607584917 /nfs/dbraw/zinc/58/49/17/607584917.db2.gz QSAROHOQUMGTAS-UHFFFAOYSA-N -1 3 392.397 0.354 20 0 GCADHM COc1ccc(CNC(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1-c1nn[n-]n1 ZINC000826200961 607584918 /nfs/dbraw/zinc/58/49/18/607584918.db2.gz QSAROHOQUMGTAS-UHFFFAOYSA-N -1 3 392.397 0.354 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1-c1nnn[n-]1 ZINC000826196401 607585506 /nfs/dbraw/zinc/58/55/06/607585506.db2.gz AACKFTKEUVISCR-UHFFFAOYSA-N -1 3 399.411 0.356 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1-c1nn[n-]n1 ZINC000826196401 607585507 /nfs/dbraw/zinc/58/55/07/607585507.db2.gz AACKFTKEUVISCR-UHFFFAOYSA-N -1 3 399.411 0.356 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826196890 607592020 /nfs/dbraw/zinc/59/20/20/607592020.db2.gz RNAKZEMXABKBBD-ZDUSSCGKSA-N -1 3 394.457 0.306 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826196890 607592022 /nfs/dbraw/zinc/59/20/22/607592022.db2.gz RNAKZEMXABKBBD-ZDUSSCGKSA-N -1 3 394.457 0.306 20 0 GCADHM COc1ccc(CNC(=O)c2c(C)oc3ncn(C)c(=O)c32)cc1-c1nnn[n-]1 ZINC000826200998 607592920 /nfs/dbraw/zinc/59/29/20/607592920.db2.gz SWBNUOOMSARDQB-UHFFFAOYSA-N -1 3 395.379 0.954 20 0 GCADHM COc1ccc(CNC(=O)c2c(C)oc3ncn(C)c(=O)c32)cc1-c1nn[n-]n1 ZINC000826200998 607592923 /nfs/dbraw/zinc/59/29/23/607592923.db2.gz SWBNUOOMSARDQB-UHFFFAOYSA-N -1 3 395.379 0.954 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)C1=O ZINC000825165315 607593607 /nfs/dbraw/zinc/59/36/07/607593607.db2.gz YIZFSFPUECGSQH-KRWDZBQOSA-N -1 3 388.384 0.639 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)C1=O ZINC000825165315 607593609 /nfs/dbraw/zinc/59/36/09/607593609.db2.gz YIZFSFPUECGSQH-KRWDZBQOSA-N -1 3 388.384 0.639 20 0 GCADHM CN1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000826028528 607596237 /nfs/dbraw/zinc/59/62/37/607596237.db2.gz BTMIPGWYAIJRAX-VIFPVBQESA-N -1 3 376.364 0.868 20 0 GCADHM COc1ccc(COC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000826204869 607597626 /nfs/dbraw/zinc/59/76/26/607597626.db2.gz BNVFQJPVYAWJCI-UHFFFAOYSA-N -1 3 395.441 0.590 20 0 GCADHM COc1ccc(COC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000826204869 607597628 /nfs/dbraw/zinc/59/76/28/607597628.db2.gz BNVFQJPVYAWJCI-UHFFFAOYSA-N -1 3 395.441 0.590 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H](N3CCNC3=O)C2)c1-c1nnn[n-]1 ZINC000826301968 607598090 /nfs/dbraw/zinc/59/80/90/607598090.db2.gz WKQPRIOMEZLBBA-GFCCVEGCSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H](N3CCNC3=O)C2)c1-c1nn[n-]n1 ZINC000826301968 607598092 /nfs/dbraw/zinc/59/80/92/607598092.db2.gz WKQPRIOMEZLBBA-GFCCVEGCSA-N -1 3 391.457 0.353 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823967082 607598304 /nfs/dbraw/zinc/59/83/04/607598304.db2.gz ILGRPLWBSWSOIB-UHFFFAOYSA-N -1 3 382.421 0.637 20 0 GCADHM COc1ccc(COC(=O)C=Cc2cn(C)c(=O)n(C)c2=O)cc1-c1nnn[n-]1 ZINC000826204828 607598445 /nfs/dbraw/zinc/59/84/45/607598445.db2.gz AQKFNQQQXUFGEO-FNORWQNLSA-N -1 3 398.379 0.029 20 0 GCADHM COc1ccc(COC(=O)C=Cc2cn(C)c(=O)n(C)c2=O)cc1-c1nn[n-]n1 ZINC000826204828 607598446 /nfs/dbraw/zinc/59/84/46/607598446.db2.gz AQKFNQQQXUFGEO-FNORWQNLSA-N -1 3 398.379 0.029 20 0 GCADHM COc1ccc(COC(=O)CCCN2C(=O)CN(C)C2=O)cc1-c1nnn[n-]1 ZINC000826204873 607598713 /nfs/dbraw/zinc/59/87/13/607598713.db2.gz BRWPETKHXAAOIW-UHFFFAOYSA-N -1 3 388.384 0.593 20 0 GCADHM COc1ccc(COC(=O)CCCN2C(=O)CN(C)C2=O)cc1-c1nn[n-]n1 ZINC000826204873 607598715 /nfs/dbraw/zinc/59/87/15/607598715.db2.gz BRWPETKHXAAOIW-UHFFFAOYSA-N -1 3 388.384 0.593 20 0 GCADHM COc1ccc(COC(=O)[C@]23CCC(=O)N2CCS3)cc1-c1nnn[n-]1 ZINC000826205342 607599286 /nfs/dbraw/zinc/59/92/86/607599286.db2.gz SHWYKGZGZZMMNN-MRXNPFEDSA-N -1 3 375.410 0.984 20 0 GCADHM COc1ccc(COC(=O)[C@]23CCC(=O)N2CCS3)cc1-c1nn[n-]n1 ZINC000826205342 607599288 /nfs/dbraw/zinc/59/92/88/607599288.db2.gz SHWYKGZGZZMMNN-MRXNPFEDSA-N -1 3 375.410 0.984 20 0 GCADHM O=S(=O)(NCCNc1ncccn1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826491471 607599326 /nfs/dbraw/zinc/59/93/26/607599326.db2.gz KXWUKJBUZYLVAL-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=S(=O)(NCCNc1ncccn1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826491471 607599328 /nfs/dbraw/zinc/59/93/28/607599328.db2.gz KXWUKJBUZYLVAL-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)Nc1cccnc1 ZINC000826412958 607603620 /nfs/dbraw/zinc/60/36/20/607603620.db2.gz KVSGBYDOKVLXIS-UHFFFAOYSA-N -1 3 377.361 0.318 20 0 GCADHM O=C(NCCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826436935 607603670 /nfs/dbraw/zinc/60/36/70/607603670.db2.gz PMAVCBRYFNFJTF-UHFFFAOYSA-N -1 3 386.437 0.965 20 0 GCADHM O=C(NCCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826436935 607603671 /nfs/dbraw/zinc/60/36/71/607603671.db2.gz PMAVCBRYFNFJTF-UHFFFAOYSA-N -1 3 386.437 0.965 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1C ZINC000824640588 607604057 /nfs/dbraw/zinc/60/40/57/607604057.db2.gz LSLXXBNJZKZZLW-NEPJUHHUSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1C ZINC000824640588 607604058 /nfs/dbraw/zinc/60/40/58/607604058.db2.gz LSLXXBNJZKZZLW-NEPJUHHUSA-N -1 3 378.458 0.935 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)Nc1cccnc1 ZINC000826408018 607605443 /nfs/dbraw/zinc/60/54/43/607605443.db2.gz MPZJVMLEWWZIDQ-UHFFFAOYSA-N -1 3 391.388 0.708 20 0 GCADHM CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000824176860 607605707 /nfs/dbraw/zinc/60/57/07/607605707.db2.gz BHFWMUGNMNCODR-UHFFFAOYSA-N -1 3 378.458 0.746 20 0 GCADHM CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000824176860 607605708 /nfs/dbraw/zinc/60/57/08/607605708.db2.gz BHFWMUGNMNCODR-UHFFFAOYSA-N -1 3 378.458 0.746 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H](C2OCCO2)C1 ZINC000826495235 607606177 /nfs/dbraw/zinc/60/61/77/607606177.db2.gz HYANRUBRMSBNOL-SNVBAGLBSA-N -1 3 383.405 0.779 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCN2CCOCC2(C)C)c1-c1nnn[n-]1 ZINC000826303314 607606953 /nfs/dbraw/zinc/60/69/53/607606953.db2.gz JXDFZEFQZQPEAA-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCN2CCOCC2(C)C)c1-c1nn[n-]n1 ZINC000826303314 607606955 /nfs/dbraw/zinc/60/69/55/607606955.db2.gz JXDFZEFQZQPEAA-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM O=C1OCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826483541 607607248 /nfs/dbraw/zinc/60/72/48/607607248.db2.gz QXGOCCSOBNWZIT-UHFFFAOYSA-N -1 3 386.821 0.641 20 0 GCADHM O=C1OCCN1CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826483541 607607250 /nfs/dbraw/zinc/60/72/50/607607250.db2.gz QXGOCCSOBNWZIT-UHFFFAOYSA-N -1 3 386.821 0.641 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)[C@H](C)N1CCOCC1 ZINC000824640209 607609924 /nfs/dbraw/zinc/60/99/24/607609924.db2.gz CWSLKGFCQRAENX-MNOVXSKESA-N -1 3 384.437 0.393 20 0 GCADHM COCCN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826159634 607610522 /nfs/dbraw/zinc/61/05/22/607610522.db2.gz MDFABPGYQVHNFY-NSHDSACASA-N -1 3 384.437 0.395 20 0 GCADHM COCCN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826159634 607610524 /nfs/dbraw/zinc/61/05/24/607610524.db2.gz MDFABPGYQVHNFY-NSHDSACASA-N -1 3 384.437 0.395 20 0 GCADHM COc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)sc1S(N)(=O)=O ZINC000826177344 607611460 /nfs/dbraw/zinc/61/14/60/607611460.db2.gz DYEFPMCAXSZYMP-UHFFFAOYSA-N -1 3 396.410 0.336 20 0 GCADHM Cc1cccc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000826301126 607613457 /nfs/dbraw/zinc/61/34/57/607613457.db2.gz RMROOKAGXLKBEM-UHFFFAOYSA-N -1 3 386.437 0.851 20 0 GCADHM Cc1cccc(S(=O)(=O)N(CC(N)=O)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000826301126 607613459 /nfs/dbraw/zinc/61/34/59/607613459.db2.gz RMROOKAGXLKBEM-UHFFFAOYSA-N -1 3 386.437 0.851 20 0 GCADHM O=S(=O)(NCCOC[C@H]1CCOC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826491271 607614232 /nfs/dbraw/zinc/61/42/32/607614232.db2.gz AEXLFCNKHWPGCN-JTQLQIEISA-N -1 3 387.849 0.852 20 0 GCADHM O=S(=O)(NCCOC[C@H]1CCOC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826491271 607614233 /nfs/dbraw/zinc/61/42/33/607614233.db2.gz AEXLFCNKHWPGCN-JTQLQIEISA-N -1 3 387.849 0.852 20 0 GCADHM CCc1ncc(NC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825750115 607614976 /nfs/dbraw/zinc/61/49/76/607614976.db2.gz MPQAHJWPYGQXEU-UHFFFAOYSA-N -1 3 387.425 0.773 20 0 GCADHM CCc1ncc(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825750115 607614978 /nfs/dbraw/zinc/61/49/78/607614978.db2.gz MPQAHJWPYGQXEU-UHFFFAOYSA-N -1 3 387.425 0.773 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000824104077 607616024 /nfs/dbraw/zinc/61/60/24/607616024.db2.gz NIPCLBGNCAHABK-UHFFFAOYSA-N -1 3 380.430 0.764 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000824104077 607616025 /nfs/dbraw/zinc/61/60/25/607616025.db2.gz NIPCLBGNCAHABK-UHFFFAOYSA-N -1 3 380.430 0.764 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000825838856 607616782 /nfs/dbraw/zinc/61/67/82/607616782.db2.gz DDAXDCKRDLULAV-NWDGAFQWSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000825838856 607616784 /nfs/dbraw/zinc/61/67/84/607616784.db2.gz DDAXDCKRDLULAV-NWDGAFQWSA-N -1 3 378.458 0.792 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCC1(OC)CCOCC1 ZINC000826175165 607619709 /nfs/dbraw/zinc/61/97/09/607619709.db2.gz VTANUSMKRCVKQM-UHFFFAOYSA-N -1 3 377.401 0.566 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCC1(OC)CCOCC1 ZINC000826175165 607619711 /nfs/dbraw/zinc/61/97/11/607619711.db2.gz VTANUSMKRCVKQM-UHFFFAOYSA-N -1 3 377.401 0.566 20 0 GCADHM C[C@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@H](O)Cc1ccccc1 ZINC000824499893 607620841 /nfs/dbraw/zinc/62/08/41/607620841.db2.gz RYMUXJAAAINHDN-XJKSGUPXSA-N -1 3 396.455 0.965 20 0 GCADHM C[C@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@H](O)Cc1ccccc1 ZINC000824499893 607620842 /nfs/dbraw/zinc/62/08/42/607620842.db2.gz RYMUXJAAAINHDN-XJKSGUPXSA-N -1 3 396.455 0.965 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)[C@H](O)Cc1ccccc1 ZINC000824497944 607621009 /nfs/dbraw/zinc/62/10/09/607621009.db2.gz ANASRRRHVFQHEY-CZUORRHYSA-N -1 3 396.455 0.965 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)[C@H](O)Cc1ccccc1 ZINC000824497944 607621010 /nfs/dbraw/zinc/62/10/10/607621010.db2.gz ANASRRRHVFQHEY-CZUORRHYSA-N -1 3 396.455 0.965 20 0 GCADHM CSCc1noc(CCC(=O)NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC000826228853 607622406 /nfs/dbraw/zinc/62/24/06/607622406.db2.gz DDLNONPWCOOAHO-UHFFFAOYSA-N -1 3 389.445 0.669 20 0 GCADHM CSCc1noc(CCC(=O)NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC000826228853 607622407 /nfs/dbraw/zinc/62/24/07/607622407.db2.gz DDLNONPWCOOAHO-UHFFFAOYSA-N -1 3 389.445 0.669 20 0 GCADHM COc1ccc(CNC(=O)N(C)CCN2CCOCC2)cc1-c1nnn[n-]1 ZINC000826197528 607624373 /nfs/dbraw/zinc/62/43/73/607624373.db2.gz SJEVDHOSOYHLBS-UHFFFAOYSA-N -1 3 375.433 0.349 20 0 GCADHM COc1ccc(CNC(=O)N(C)CCN2CCOCC2)cc1-c1nn[n-]n1 ZINC000826197528 607624375 /nfs/dbraw/zinc/62/43/75/607624375.db2.gz SJEVDHOSOYHLBS-UHFFFAOYSA-N -1 3 375.433 0.349 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@@H](CNC(C)=O)C2)cc1-c1nnn[n-]1 ZINC000826197761 607624542 /nfs/dbraw/zinc/62/45/42/607624542.db2.gz BYJIAQKHDMXHPP-AWEZNQCLSA-N -1 3 387.444 0.933 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@@H](CNC(C)=O)C2)cc1-c1nn[n-]n1 ZINC000826197761 607624544 /nfs/dbraw/zinc/62/45/44/607624544.db2.gz BYJIAQKHDMXHPP-AWEZNQCLSA-N -1 3 387.444 0.933 20 0 GCADHM COCCN1CCN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC000826159317 607626026 /nfs/dbraw/zinc/62/60/26/607626026.db2.gz AZTSDMGUQHWHLK-CYBMUJFWSA-N -1 3 389.460 0.737 20 0 GCADHM COCCN1CCN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC000826159317 607626028 /nfs/dbraw/zinc/62/60/28/607626028.db2.gz AZTSDMGUQHWHLK-CYBMUJFWSA-N -1 3 389.460 0.737 20 0 GCADHM COc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826218498 607626518 /nfs/dbraw/zinc/62/65/18/607626518.db2.gz DMTVAAYRHPBCMS-ZDUSSCGKSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826218498 607626520 /nfs/dbraw/zinc/62/65/20/607626520.db2.gz DMTVAAYRHPBCMS-ZDUSSCGKSA-N -1 3 375.410 0.887 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H](O)COc1ccccc1 ZINC000826280255 607626814 /nfs/dbraw/zinc/62/68/14/607626814.db2.gz UMQVZCOJAUJELU-CQSZACIVSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H](O)COc1ccccc1 ZINC000826280255 607626815 /nfs/dbraw/zinc/62/68/15/607626815.db2.gz UMQVZCOJAUJELU-CQSZACIVSA-N -1 3 389.437 0.893 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826489066 607627225 /nfs/dbraw/zinc/62/72/25/607627225.db2.gz HBXPGBDMFFJXLA-LLVKDONJSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccccc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826489066 607627227 /nfs/dbraw/zinc/62/72/27/607627227.db2.gz HBXPGBDMFFJXLA-LLVKDONJSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826489666 607627236 /nfs/dbraw/zinc/62/72/36/607627236.db2.gz WSNZZBRXAIOFAN-LBPRGKRZSA-N -1 3 375.410 0.585 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826489666 607627238 /nfs/dbraw/zinc/62/72/38/607627238.db2.gz WSNZZBRXAIOFAN-LBPRGKRZSA-N -1 3 375.410 0.585 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccccc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826489065 607627243 /nfs/dbraw/zinc/62/72/43/607627243.db2.gz GXZMODWHUZHYQQ-LBPRGKRZSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826489354 607627247 /nfs/dbraw/zinc/62/72/47/607627247.db2.gz NGPCSHHPHILKCS-ZDUSSCGKSA-N -1 3 375.410 0.585 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826489354 607627249 /nfs/dbraw/zinc/62/72/49/607627249.db2.gz NGPCSHHPHILKCS-ZDUSSCGKSA-N -1 3 375.410 0.585 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(-n3cncn3)nc2)cc1-c1nnn[n-]1 ZINC000826201085 607628059 /nfs/dbraw/zinc/62/80/59/607628059.db2.gz XELYXUAXSLUCCO-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(-n3cncn3)nc2)cc1-c1nn[n-]n1 ZINC000826201085 607628060 /nfs/dbraw/zinc/62/80/60/607628060.db2.gz XELYXUAXSLUCCO-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM O=S(=O)(N[C@H]1CCCc2c1cnn2CCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000826488460 607628383 /nfs/dbraw/zinc/62/83/83/607628383.db2.gz QMMCJQCSQQWASJ-AWEZNQCLSA-N -1 3 389.441 0.411 20 0 GCADHM O=S(=O)(N[C@H]1CCCc2c1cnn2CCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000826488460 607628384 /nfs/dbraw/zinc/62/83/84/607628384.db2.gz QMMCJQCSQQWASJ-AWEZNQCLSA-N -1 3 389.441 0.411 20 0 GCADHM CCc1ncc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825749795 607629880 /nfs/dbraw/zinc/62/98/80/607629880.db2.gz HWAPUXZOWNLIER-UHFFFAOYSA-N -1 3 382.384 0.353 20 0 GCADHM CCc1cc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)n(C)n1 ZINC000825700871 607629893 /nfs/dbraw/zinc/62/98/93/607629893.db2.gz XEXJAKJGDXMOGD-UHFFFAOYSA-N -1 3 384.400 0.426 20 0 GCADHM CCc1cc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)n(C)n1 ZINC000825700871 607629894 /nfs/dbraw/zinc/62/98/94/607629894.db2.gz XEXJAKJGDXMOGD-UHFFFAOYSA-N -1 3 384.400 0.426 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000825621435 607630124 /nfs/dbraw/zinc/63/01/24/607630124.db2.gz TULSCGZVJLSOMU-AAEUAGOBSA-N -1 3 388.428 0.823 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H]([C@H](C)O)C1 ZINC000825621435 607630125 /nfs/dbraw/zinc/63/01/25/607630125.db2.gz TULSCGZVJLSOMU-AAEUAGOBSA-N -1 3 388.428 0.823 20 0 GCADHM CC(C)(O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000824171900 607630179 /nfs/dbraw/zinc/63/01/79/607630179.db2.gz GOQQFVXAFMFZLV-UHFFFAOYSA-N -1 3 384.437 0.083 20 0 GCADHM CC(C)(O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000824171900 607630181 /nfs/dbraw/zinc/63/01/81/607630181.db2.gz GOQQFVXAFMFZLV-UHFFFAOYSA-N -1 3 384.437 0.083 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cc(C)cnc2OC)cc1-c1nnn[n-]1 ZINC000826195691 607630440 /nfs/dbraw/zinc/63/04/40/607630440.db2.gz CCAUBSLZUSBHPV-UHFFFAOYSA-N -1 3 397.395 0.842 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cc(C)cnc2OC)cc1-c1nn[n-]n1 ZINC000826195691 607630441 /nfs/dbraw/zinc/63/04/41/607630441.db2.gz CCAUBSLZUSBHPV-UHFFFAOYSA-N -1 3 397.395 0.842 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cnn(CC(C)C)c2)cc1-c1nnn[n-]1 ZINC000826195722 607630461 /nfs/dbraw/zinc/63/04/61/607630461.db2.gz DAHJDBZWDPWXNU-UHFFFAOYSA-N -1 3 398.427 0.983 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cnn(CC(C)C)c2)cc1-c1nn[n-]n1 ZINC000826195722 607630462 /nfs/dbraw/zinc/63/04/62/607630462.db2.gz DAHJDBZWDPWXNU-UHFFFAOYSA-N -1 3 398.427 0.983 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccnn2C(C)C)cc1-c1nnn[n-]1 ZINC000826195631 607630567 /nfs/dbraw/zinc/63/05/67/607630567.db2.gz ALWUQLULIWERDM-UHFFFAOYSA-N -1 3 384.400 0.908 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccnn2C(C)C)cc1-c1nn[n-]n1 ZINC000826195631 607630569 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O=S(=O)(NCc1nnnn1C1CC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826492621 607655590 /nfs/dbraw/zinc/65/55/90/607655590.db2.gz VCUKPDOMOHSLEV-UHFFFAOYSA-N -1 3 381.809 0.320 20 0 GCADHM O=S(=O)(NCc1nnnn1C1CC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826492621 607655591 /nfs/dbraw/zinc/65/55/91/607655591.db2.gz VCUKPDOMOHSLEV-UHFFFAOYSA-N -1 3 381.809 0.320 20 0 GCADHM CCn1nc2c(cc1=O)CN(S(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC000825807178 607664057 /nfs/dbraw/zinc/66/40/57/607664057.db2.gz OAEFSHMRDGBMDR-UHFFFAOYSA-N -1 3 387.425 0.190 20 0 GCADHM CCn1nc2c(cc1=O)CN(S(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC000825807178 607664059 /nfs/dbraw/zinc/66/40/59/607664059.db2.gz OAEFSHMRDGBMDR-UHFFFAOYSA-N -1 3 387.425 0.190 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000824991554 607665107 /nfs/dbraw/zinc/66/51/07/607665107.db2.gz CGLICCSJVMTVRL-SMDDNHRTSA-N -1 3 396.448 0.347 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000824992026 607665174 /nfs/dbraw/zinc/66/51/74/607665174.db2.gz IXUOURDZGGDHRW-OCCSQVGLSA-N -1 3 378.458 0.208 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000824992026 607665176 /nfs/dbraw/zinc/66/51/76/607665176.db2.gz IXUOURDZGGDHRW-OCCSQVGLSA-N -1 3 378.458 0.208 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824442519 607666752 /nfs/dbraw/zinc/66/67/52/607666752.db2.gz WPQINSRSMMDTQA-MWLCHTKSSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824442519 607666753 /nfs/dbraw/zinc/66/67/53/607666753.db2.gz WPQINSRSMMDTQA-MWLCHTKSSA-N -1 3 387.849 0.992 20 0 GCADHM COC[C@](C)(NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)OC ZINC000826148175 607669303 /nfs/dbraw/zinc/66/93/03/607669303.db2.gz AZZQVLSJALMNOU-ZDUSSCGKSA-N -1 3 389.821 0.377 20 0 GCADHM COC[C@](C)(NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)OC ZINC000826148175 607669305 /nfs/dbraw/zinc/66/93/05/607669305.db2.gz AZZQVLSJALMNOU-ZDUSSCGKSA-N -1 3 389.821 0.377 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(c2ncccc2F)C1)c1ccccc1-c1nnn[n-]1 ZINC000826488287 607669310 /nfs/dbraw/zinc/66/93/10/607669310.db2.gz MHAKEMCGEOROHF-LLVKDONJSA-N -1 3 389.416 0.958 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(c2ncccc2F)C1)c1ccccc1-c1nn[n-]n1 ZINC000826488287 607669311 /nfs/dbraw/zinc/66/93/11/607669311.db2.gz MHAKEMCGEOROHF-LLVKDONJSA-N -1 3 389.416 0.958 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826389998 607671257 /nfs/dbraw/zinc/67/12/57/607671257.db2.gz NKNUCRQVCMGKKC-ZYHUDNBSSA-N -1 3 382.421 0.718 20 0 GCADHM Cc1cccc(S(=O)(=O)N([C@@H](C)CS(C)(=O)=O)C2CC2)c1-c1nnn[n-]1 ZINC000826300853 607672728 /nfs/dbraw/zinc/67/27/28/607672728.db2.gz ISUUVPJOSINQFA-NSHDSACASA-N -1 3 399.498 0.761 20 0 GCADHM Cc1cccc(S(=O)(=O)N([C@@H](C)CS(C)(=O)=O)C2CC2)c1-c1nn[n-]n1 ZINC000826300853 607672730 /nfs/dbraw/zinc/67/27/30/607672730.db2.gz ISUUVPJOSINQFA-NSHDSACASA-N -1 3 399.498 0.761 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824406694 607673506 /nfs/dbraw/zinc/67/35/06/607673506.db2.gz QENPAVHDYWQTQX-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824406694 607673508 /nfs/dbraw/zinc/67/35/08/607673508.db2.gz QENPAVHDYWQTQX-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000826245576 607675457 /nfs/dbraw/zinc/67/54/57/607675457.db2.gz BOWKZHNREFSLFH-UHFFFAOYSA-N -1 3 392.423 0.631 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000826245576 607675459 /nfs/dbraw/zinc/67/54/59/607675459.db2.gz BOWKZHNREFSLFH-UHFFFAOYSA-N -1 3 392.423 0.631 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)[C@H]1CN(C)CCO1 ZINC000824640338 607676278 /nfs/dbraw/zinc/67/62/78/607676278.db2.gz GNCHITZXJWURSY-JOYOIKCWSA-N -1 3 386.865 0.518 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)[C@H]1CN(C)CCO1 ZINC000824640338 607676279 /nfs/dbraw/zinc/67/62/79/607676279.db2.gz GNCHITZXJWURSY-JOYOIKCWSA-N -1 3 386.865 0.518 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000826117786 607678945 /nfs/dbraw/zinc/67/89/45/607678945.db2.gz RTCRAUXRKUGCAC-AWEZNQCLSA-N -1 3 395.441 0.110 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000826117786 607678947 /nfs/dbraw/zinc/67/89/47/607678947.db2.gz RTCRAUXRKUGCAC-AWEZNQCLSA-N -1 3 395.441 0.110 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)N1CCCCCC1 ZINC000826410992 607687588 /nfs/dbraw/zinc/68/75/88/607687588.db2.gz GTSXIRUADGYGBM-UHFFFAOYSA-N -1 3 386.460 0.355 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)N1CCCCCC1 ZINC000826410992 607687590 /nfs/dbraw/zinc/68/75/90/607687590.db2.gz GTSXIRUADGYGBM-UHFFFAOYSA-N -1 3 386.460 0.355 20 0 GCADHM COCCn1cc(S(=O)(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826163609 607687822 /nfs/dbraw/zinc/68/78/22/607687822.db2.gz BXJQMENRHQLCRS-LLVKDONJSA-N -1 3 377.430 0.749 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000830935250 604372090 /nfs/dbraw/zinc/37/20/90/604372090.db2.gz TYLVMACVDKXUQJ-SJLPKXTDSA-N -1 3 391.468 0.363 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000830934613 604410154 /nfs/dbraw/zinc/41/01/54/604410154.db2.gz IQMTVDXGKKYOMX-MRXNPFEDSA-N -1 3 375.425 0.529 20 0 GCADHM CCOC(=O)c1ccccc1NC(=O)CNC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000829885595 604438134 /nfs/dbraw/zinc/43/81/34/604438134.db2.gz QWZKCXIJPXKTPN-UHFFFAOYSA-N -1 3 398.437 0.423 20 0 GCADHM O=C([O-])C1(NCC(=O)NCCc2c(F)cccc2F)CCS(=O)(=O)CC1 ZINC000833110223 604440078 /nfs/dbraw/zinc/44/00/78/604440078.db2.gz MTGPZXHPVHTICR-UHFFFAOYSA-N -1 3 390.408 0.245 20 0 GCADHM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000833702768 604483521 /nfs/dbraw/zinc/48/35/21/604483521.db2.gz ZPDMJTCMGVEJQG-IAGOWNOFSA-N -1 3 389.452 0.837 20 0 GCADHM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000832916010 604503178 /nfs/dbraw/zinc/50/31/78/604503178.db2.gz MUDCDOVQJYRCRU-QGZVFWFLSA-N -1 3 388.468 0.870 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000826247638 607702165 /nfs/dbraw/zinc/70/21/65/607702165.db2.gz JVTFDTLFQCKTHB-FZMZJTMJSA-N -1 3 378.458 0.575 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000826247638 607702167 /nfs/dbraw/zinc/70/21/67/607702167.db2.gz JVTFDTLFQCKTHB-FZMZJTMJSA-N -1 3 378.458 0.575 20 0 GCADHM COC(=O)C1(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)CCS(=O)(=O)CC1 ZINC000826124790 607703181 /nfs/dbraw/zinc/70/31/81/607703181.db2.gz VFLVEUAVIHOCOV-UHFFFAOYSA-N -1 3 393.425 0.025 20 0 GCADHM COC(=O)C1(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)CCS(=O)(=O)CC1 ZINC000826124790 607703183 /nfs/dbraw/zinc/70/31/83/607703183.db2.gz VFLVEUAVIHOCOV-UHFFFAOYSA-N -1 3 393.425 0.025 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000826247957 607703324 /nfs/dbraw/zinc/70/33/24/607703324.db2.gz RULMGRFHVFRZEP-UHFFFAOYSA-N -1 3 390.469 0.862 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000826247957 607703326 /nfs/dbraw/zinc/70/33/26/607703326.db2.gz RULMGRFHVFRZEP-UHFFFAOYSA-N -1 3 390.469 0.862 20 0 GCADHM O=C([O-])CCNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000819473631 604643507 /nfs/dbraw/zinc/64/35/07/604643507.db2.gz RSCKJJUJQNRDIZ-HNNXBMFYSA-N -1 3 385.424 0.860 20 0 GCADHM CN(C)C[C@H]1CN(CC2=C(C(=O)[O-])[C@@H](c3ccccc3)NC(=O)N2C)CCO1 ZINC000830601568 604755755 /nfs/dbraw/zinc/75/57/55/604755755.db2.gz ZFIUXDCNRAABPH-MAUKXSAKSA-N -1 3 388.468 0.984 20 0 GCADHM COC(=O)c1sc(NC(=O)CN2CCO[C@H](CN(C)C)C2)c(C(=O)[O-])c1C ZINC000831474876 604757527 /nfs/dbraw/zinc/75/75/27/604757527.db2.gz DRYRGPQSFOGDFA-LLVKDONJSA-N -1 3 399.469 0.742 20 0 GCADHM COC(=O)c1cc(NC(=O)CN2CCO[C@H](CN(C)C)C2)cc(C(=O)[O-])c1 ZINC000831270264 604759735 /nfs/dbraw/zinc/75/97/35/604759735.db2.gz VCXZLJINKBTTOD-OAHLLOKOSA-N -1 3 379.413 0.372 20 0 GCADHM Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cn1 ZINC000826359039 607719739 /nfs/dbraw/zinc/71/97/39/607719739.db2.gz SRFHVNJEJUGVHY-UHFFFAOYSA-N -1 3 383.416 0.211 20 0 GCADHM Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cn1 ZINC000826359039 607719740 /nfs/dbraw/zinc/71/97/40/607719740.db2.gz SRFHVNJEJUGVHY-UHFFFAOYSA-N -1 3 383.416 0.211 20 0 GCADHM CC(C)N1CCN(C2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)CC1 ZINC000833499016 604908012 /nfs/dbraw/zinc/90/80/12/604908012.db2.gz KRCIMNBOJDICJO-UHFFFAOYSA-N -1 3 399.517 0.147 20 0 GCADHM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826090972 607722513 /nfs/dbraw/zinc/72/25/13/607722513.db2.gz SRWNWXVSZLIKIN-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826090972 607722515 /nfs/dbraw/zinc/72/25/15/607722515.db2.gz SRWNWXVSZLIKIN-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM Cn1c2cc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)ccc2[nH]c1=O ZINC000826354389 607723914 /nfs/dbraw/zinc/72/39/14/607723914.db2.gz ASJDWHZPONFLOQ-AWEZNQCLSA-N -1 3 393.363 0.842 20 0 GCADHM Cn1c2cc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)ccc2[nH]c1=O ZINC000826354389 607723922 /nfs/dbraw/zinc/72/39/22/607723922.db2.gz ASJDWHZPONFLOQ-AWEZNQCLSA-N -1 3 393.363 0.842 20 0 GCADHM O=C([O-])[C@H](O)C1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000833771097 604981024 /nfs/dbraw/zinc/98/10/24/604981024.db2.gz VMBHLGSSDLDEMJ-LSDHHAIUSA-N -1 3 377.397 0.022 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@@H](Cn3ccnn3)C2)c(-c2nnn[n-]2)c1 ZINC000826394685 607733863 /nfs/dbraw/zinc/73/38/63/607733863.db2.gz UNEJLXXANBGXAR-LLVKDONJSA-N -1 3 389.445 0.022 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@@H](Cn3ccnn3)C2)c(-c2nn[n-]n2)c1 ZINC000826394685 607733864 /nfs/dbraw/zinc/73/38/64/607733864.db2.gz UNEJLXXANBGXAR-LLVKDONJSA-N -1 3 389.445 0.022 20 0 GCADHM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000833618370 605168242 /nfs/dbraw/zinc/16/82/42/605168242.db2.gz BCPGHIIRCCDPHG-FXAWDEMLSA-N -1 3 388.512 0.983 20 0 GCADHM Cc1nc2c(cnn2C)c(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC000826327073 607739013 /nfs/dbraw/zinc/73/90/13/607739013.db2.gz RCEFRLHHEUOLHM-UHFFFAOYSA-N -1 3 393.415 0.142 20 0 GCADHM Cc1nc2c(cnn2C)c(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC000826327073 607739014 /nfs/dbraw/zinc/73/90/14/607739014.db2.gz RCEFRLHHEUOLHM-UHFFFAOYSA-N -1 3 393.415 0.142 20 0 GCADHM C[C@@H]1CN(CCC(=O)[O-])CCN1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000833628261 605196760 /nfs/dbraw/zinc/19/67/60/605196760.db2.gz FBWCLHBDNOFBHJ-ZBFHGGJFSA-N -1 3 390.440 0.345 20 0 GCADHM Nc1ncc(Cl)cc1S(=O)(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826396111 607740011 /nfs/dbraw/zinc/74/00/11/607740011.db2.gz HMBQUMDOTZTZQQ-UHFFFAOYSA-N -1 3 395.836 0.283 20 0 GCADHM Nc1ncc(Cl)cc1S(=O)(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826396111 607740012 /nfs/dbraw/zinc/74/00/12/607740012.db2.gz HMBQUMDOTZTZQQ-UHFFFAOYSA-N -1 3 395.836 0.283 20 0 GCADHM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000833627534 605206257 /nfs/dbraw/zinc/20/62/57/605206257.db2.gz XQVPGOBMVJKCKR-HNNXBMFYSA-N -1 3 375.473 0.454 20 0 GCADHM O=S(=O)(NC[C@H](O)C1CC1)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826489467 607742425 /nfs/dbraw/zinc/74/24/25/607742425.db2.gz QKDRTLBPOZXDPW-JTQLQIEISA-N -1 3 377.348 0.935 20 0 GCADHM O=S(=O)(NC[C@H](O)C1CC1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826489467 607742426 /nfs/dbraw/zinc/74/24/26/607742426.db2.gz QKDRTLBPOZXDPW-JTQLQIEISA-N -1 3 377.348 0.935 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826494686 607744610 /nfs/dbraw/zinc/74/46/10/607744610.db2.gz LSMQOXGXSPYEJV-LLVKDONJSA-N -1 3 392.420 0.698 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826494686 607744611 /nfs/dbraw/zinc/74/46/11/607744611.db2.gz LSMQOXGXSPYEJV-LLVKDONJSA-N -1 3 392.420 0.698 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)[C@@H](C)C1 ZINC000823972483 607745986 /nfs/dbraw/zinc/74/59/86/607745986.db2.gz CAOFPSSBZBWAEK-FZMZJTMJSA-N -1 3 378.458 0.710 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)[C@@H](C)C1 ZINC000823972483 607745987 /nfs/dbraw/zinc/74/59/87/607745987.db2.gz CAOFPSSBZBWAEK-FZMZJTMJSA-N -1 3 378.458 0.710 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000823972794 607746053 /nfs/dbraw/zinc/74/60/53/607746053.db2.gz GZEMYPNRUCMMPU-TVQRCGJNSA-N -1 3 382.421 0.541 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)[C@H](C)C1 ZINC000823972482 607746157 /nfs/dbraw/zinc/74/61/57/607746157.db2.gz CAOFPSSBZBWAEK-BXUZGUMPSA-N -1 3 378.458 0.710 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)[C@H](C)C1 ZINC000823972482 607746158 /nfs/dbraw/zinc/74/61/58/607746158.db2.gz CAOFPSSBZBWAEK-BXUZGUMPSA-N -1 3 378.458 0.710 20 0 GCADHM CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000826038574 607749385 /nfs/dbraw/zinc/74/93/85/607749385.db2.gz QXCPVIZQPOKSIX-NSHDSACASA-N -1 3 390.448 0.476 20 0 GCADHM CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000826038574 607749386 /nfs/dbraw/zinc/74/93/86/607749386.db2.gz QXCPVIZQPOKSIX-NSHDSACASA-N -1 3 390.448 0.476 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000826471852 607749803 /nfs/dbraw/zinc/74/98/03/607749803.db2.gz OWBBYZORLKXUCB-UHFFFAOYSA-N -1 3 381.400 0.020 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000826471852 607749804 /nfs/dbraw/zinc/74/98/04/607749804.db2.gz OWBBYZORLKXUCB-UHFFFAOYSA-N -1 3 381.400 0.020 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC000824506357 607751816 /nfs/dbraw/zinc/75/18/16/607751816.db2.gz NHSFSGFIIIYFLM-GXFFZTMASA-N -1 3 391.432 0.949 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC000824506357 607751817 /nfs/dbraw/zinc/75/18/17/607751817.db2.gz NHSFSGFIIIYFLM-GXFFZTMASA-N -1 3 391.432 0.949 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)NS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000825523798 607759069 /nfs/dbraw/zinc/75/90/69/607759069.db2.gz VFYSZEOKTRQAAP-MRVPVSSYSA-N -1 3 397.417 0.311 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H](C)NS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000825523798 607759070 /nfs/dbraw/zinc/75/90/70/607759070.db2.gz VFYSZEOKTRQAAP-MRVPVSSYSA-N -1 3 397.417 0.311 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CN2CSCC2=O)cc1-c1nnn[n-]1 ZINC000825531441 607760046 /nfs/dbraw/zinc/76/00/46/607760046.db2.gz KMAQYOAODBRNEK-UHFFFAOYSA-N -1 3 391.413 0.907 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CN2CSCC2=O)cc1-c1nn[n-]n1 ZINC000825531441 607760047 /nfs/dbraw/zinc/76/00/47/607760047.db2.gz KMAQYOAODBRNEK-UHFFFAOYSA-N -1 3 391.413 0.907 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CC(=O)N(C)C2)cc1-c1nnn[n-]1 ZINC000825538801 607765356 /nfs/dbraw/zinc/76/53/56/607765356.db2.gz KEBRULPESLCELK-JTQLQIEISA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CC(=O)N(C)C2)cc1-c1nn[n-]n1 ZINC000825538801 607765357 /nfs/dbraw/zinc/76/53/57/607765357.db2.gz KEBRULPESLCELK-JTQLQIEISA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N2CCO[C@@H](CO)C2)cc1-c1nnn[n-]1 ZINC000825540260 607765448 /nfs/dbraw/zinc/76/54/48/607765448.db2.gz XIRRBTYNYNPBIB-LLVKDONJSA-N -1 3 391.388 0.660 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N2CCO[C@@H](CO)C2)cc1-c1nn[n-]n1 ZINC000825540260 607765449 /nfs/dbraw/zinc/76/54/49/607765449.db2.gz XIRRBTYNYNPBIB-LLVKDONJSA-N -1 3 391.388 0.660 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC[C@@](C)(O)COC)cc1-c1nnn[n-]1 ZINC000825539142 607766391 /nfs/dbraw/zinc/76/63/91/607766391.db2.gz NHHKHSMVMBRCSW-MRXNPFEDSA-N -1 3 393.404 0.954 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC[C@@](C)(O)COC)cc1-c1nn[n-]n1 ZINC000825539142 607766392 /nfs/dbraw/zinc/76/63/92/607766392.db2.gz NHHKHSMVMBRCSW-MRXNPFEDSA-N -1 3 393.404 0.954 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCCNC2=O)cc1-c1nnn[n-]1 ZINC000825538718 607766935 /nfs/dbraw/zinc/76/69/35/607766935.db2.gz JBMAICMGPHYJAZ-LBPRGKRZSA-N -1 3 388.388 0.835 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@H]2CCCNC2=O)cc1-c1nn[n-]n1 ZINC000825538718 607766936 /nfs/dbraw/zinc/76/69/36/607766936.db2.gz JBMAICMGPHYJAZ-LBPRGKRZSA-N -1 3 388.388 0.835 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCC[S@](C)=O)cc1-c1nnn[n-]1 ZINC000825539052 607767383 /nfs/dbraw/zinc/76/73/83/607767383.db2.gz LLHMHGYAXMANIZ-SANMLTNESA-N -1 3 381.418 0.935 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCC[S@](C)=O)cc1-c1nn[n-]n1 ZINC000825539052 607767384 /nfs/dbraw/zinc/76/73/84/607767384.db2.gz LLHMHGYAXMANIZ-SANMLTNESA-N -1 3 381.418 0.935 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000822542458 606066506 /nfs/dbraw/zinc/06/65/06/606066506.db2.gz XUOAWOYBUGEQLO-ONGXEEELSA-N -1 3 397.461 0.156 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCC[C@@H](S(N)(=O)=O)C1 ZINC000821702194 606067273 /nfs/dbraw/zinc/06/72/73/606067273.db2.gz KVDWVZAQKVVCPE-GFCCVEGCSA-N -1 3 382.446 0.007 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2nc3ccccc3cc2-c2nnn[n-]2)CC1 ZINC000819797240 606076672 /nfs/dbraw/zinc/07/66/72/606076672.db2.gz WROWZUDYZNYZEN-UHFFFAOYSA-N -1 3 394.439 0.908 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2nc3ccccc3cc2-c2nn[n-]n2)CC1 ZINC000819797240 606076674 /nfs/dbraw/zinc/07/66/74/606076674.db2.gz WROWZUDYZNYZEN-UHFFFAOYSA-N -1 3 394.439 0.908 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000822850321 606078954 /nfs/dbraw/zinc/07/89/54/606078954.db2.gz DZIZBKXGYACIIS-GOSISDBHSA-N -1 3 393.451 0.917 20 0 GCADHM O=C1[C@H](N2CC[C@](O)(C(F)(F)F)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823503049 606084592 /nfs/dbraw/zinc/08/45/92/606084592.db2.gz ARQBBLFBKGCJNV-IUODEOHRSA-N -1 3 382.346 0.971 20 0 GCADHM O=C1[C@H](N2CC[C@](O)(C(F)(F)F)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823503049 606084595 /nfs/dbraw/zinc/08/45/95/606084595.db2.gz ARQBBLFBKGCJNV-IUODEOHRSA-N -1 3 382.346 0.971 20 0 GCADHM C[C@@H]1CCCCN1S(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820703872 606091627 /nfs/dbraw/zinc/09/16/27/606091627.db2.gz KIIXNFFDEVIRPC-CYBMUJFWSA-N -1 3 392.489 0.503 20 0 GCADHM C[C@@H]1CCCCN1S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000820703872 606091632 /nfs/dbraw/zinc/09/16/32/606091632.db2.gz KIIXNFFDEVIRPC-CYBMUJFWSA-N -1 3 392.489 0.503 20 0 GCADHM Cc1nsc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000822531118 606094609 /nfs/dbraw/zinc/09/46/09/606094609.db2.gz UBDXOLMPOMDUCB-ZDUSSCGKSA-N -1 3 385.457 0.375 20 0 GCADHM Cc1nsc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822531118 606094613 /nfs/dbraw/zinc/09/46/13/606094613.db2.gz UBDXOLMPOMDUCB-ZDUSSCGKSA-N -1 3 385.457 0.375 20 0 GCADHM COC(=O)CN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)CC(=O)OC ZINC000821662471 606110049 /nfs/dbraw/zinc/11/00/49/606110049.db2.gz DNEQZIADCXZFTB-UHFFFAOYSA-N -1 3 396.429 0.132 20 0 GCADHM COC(=O)CN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)CC(=O)OC ZINC000821662471 606110050 /nfs/dbraw/zinc/11/00/50/606110050.db2.gz DNEQZIADCXZFTB-UHFFFAOYSA-N -1 3 396.429 0.132 20 0 GCADHM CNC(=O)CC1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000821631447 606111245 /nfs/dbraw/zinc/11/12/45/606111245.db2.gz JHYFDHIVOSLVTH-INIZCTEOSA-N -1 3 383.456 0.820 20 0 GCADHM NC(=O)c1nccnc1C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822889720 606112379 /nfs/dbraw/zinc/11/23/79/606112379.db2.gz CHSWIPFIRAGAGM-UHFFFAOYSA-N -1 3 393.411 0.154 20 0 GCADHM NC(=O)c1nccnc1C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822889720 606112381 /nfs/dbraw/zinc/11/23/81/606112381.db2.gz CHSWIPFIRAGAGM-UHFFFAOYSA-N -1 3 393.411 0.154 20 0 GCADHM Cc1sc(NC(=O)CN2CCN(CCCCO)CC2)c(-c2nnn[n-]2)c1C ZINC000822556549 606113867 /nfs/dbraw/zinc/11/38/67/606113867.db2.gz CQEXKIQNJKFEIN-UHFFFAOYSA-N -1 3 393.517 0.874 20 0 GCADHM Cc1sc(NC(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000822558305 606114414 /nfs/dbraw/zinc/11/44/14/606114414.db2.gz OFYTUAAGXURFHT-NSHDSACASA-N -1 3 398.514 0.850 20 0 GCADHM Cc1sc(NC(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000822558305 606114416 /nfs/dbraw/zinc/11/44/16/606114416.db2.gz OFYTUAAGXURFHT-NSHDSACASA-N -1 3 398.514 0.850 20 0 GCADHM C[C@@H](C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)c1cnn(C)c1 ZINC000819877552 606116807 /nfs/dbraw/zinc/11/68/07/606116807.db2.gz YEGNNJRQPZWBAD-LLVKDONJSA-N -1 3 378.400 0.982 20 0 GCADHM C[C@@H](C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)c1cnn(C)c1 ZINC000819877552 606116809 /nfs/dbraw/zinc/11/68/09/606116809.db2.gz YEGNNJRQPZWBAD-LLVKDONJSA-N -1 3 378.400 0.982 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)C2)cn1 ZINC000822673912 606117812 /nfs/dbraw/zinc/11/78/12/606117812.db2.gz GNFVZKCXIPYEMH-CYBMUJFWSA-N -1 3 396.459 0.681 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)C2)cn1 ZINC000822673912 606117814 /nfs/dbraw/zinc/11/78/14/606117814.db2.gz GNFVZKCXIPYEMH-CYBMUJFWSA-N -1 3 396.459 0.681 20 0 GCADHM CNC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821631355 606118763 /nfs/dbraw/zinc/11/87/63/606118763.db2.gz GRBRGEZUQVKSIA-UHFFFAOYSA-N -1 3 389.391 0.319 20 0 GCADHM CNC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821631355 606118765 /nfs/dbraw/zinc/11/87/65/606118765.db2.gz GRBRGEZUQVKSIA-UHFFFAOYSA-N -1 3 389.391 0.319 20 0 GCADHM CN1CCOc2ccc(NC(=O)C(=O)NCc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000821628254 606118915 /nfs/dbraw/zinc/11/89/15/606118915.db2.gz DJGBPKIRFZGZEX-UHFFFAOYSA-N -1 3 393.407 0.950 20 0 GCADHM CN1CCOc2ccc(NC(=O)C(=O)NCc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000821628254 606118917 /nfs/dbraw/zinc/11/89/17/606118917.db2.gz DJGBPKIRFZGZEX-UHFFFAOYSA-N -1 3 393.407 0.950 20 0 GCADHM CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821614600 606119119 /nfs/dbraw/zinc/11/91/19/606119119.db2.gz MVMRUNDNVMICKE-UHFFFAOYSA-N -1 3 393.407 0.580 20 0 GCADHM CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821614600 606119120 /nfs/dbraw/zinc/11/91/20/606119120.db2.gz MVMRUNDNVMICKE-UHFFFAOYSA-N -1 3 393.407 0.580 20 0 GCADHM Cc1nc(C)n([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000822432151 606119678 /nfs/dbraw/zinc/11/96/78/606119678.db2.gz YXHMGDPZPBKOLH-OAHLLOKOSA-N -1 3 395.427 0.877 20 0 GCADHM Cc1nc(C)n([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000822432151 606119679 /nfs/dbraw/zinc/11/96/79/606119679.db2.gz YXHMGDPZPBKOLH-OAHLLOKOSA-N -1 3 395.427 0.877 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000822864703 606120906 /nfs/dbraw/zinc/12/09/06/606120906.db2.gz IUEIQSVXAMSZNF-SECBINFHSA-N -1 3 391.819 0.573 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000822864703 606120908 /nfs/dbraw/zinc/12/09/08/606120908.db2.gz IUEIQSVXAMSZNF-SECBINFHSA-N -1 3 391.819 0.573 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000819789480 606121222 /nfs/dbraw/zinc/12/12/22/606121222.db2.gz PZIIIARCEQHOEI-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000819789480 606121223 /nfs/dbraw/zinc/12/12/23/606121223.db2.gz PZIIIARCEQHOEI-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM CN(CCO)S(=O)(=O)c1ccccc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC000821602606 606124664 /nfs/dbraw/zinc/12/46/64/606124664.db2.gz KCKHFHDOWLTLQE-UHFFFAOYSA-N -1 3 389.441 0.487 20 0 GCADHM CN(CCO)S(=O)(=O)c1ccccc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC000821602606 606124665 /nfs/dbraw/zinc/12/46/65/606124665.db2.gz KCKHFHDOWLTLQE-UHFFFAOYSA-N -1 3 389.441 0.487 20 0 GCADHM Cc1nc(NC(=O)[C@H](C)c2cnn(C)c2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822449494 606127982 /nfs/dbraw/zinc/12/79/82/606127982.db2.gz BNFMFVSSELNMHW-SNVBAGLBSA-N -1 3 378.400 0.653 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCC(=O)N1CCC1 ZINC000821701576 606129978 /nfs/dbraw/zinc/12/99/78/606129978.db2.gz UEFHKGAMMORFOI-UHFFFAOYSA-N -1 3 375.385 0.810 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCC(=O)N1CCC1 ZINC000821701576 606129979 /nfs/dbraw/zinc/12/99/79/606129979.db2.gz UEFHKGAMMORFOI-UHFFFAOYSA-N -1 3 375.385 0.810 20 0 GCADHM CNC(=O)Cc1noc(COC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821634247 606130447 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CS(=O)(=O)CC1(CC(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821919496 606131509 /nfs/dbraw/zinc/13/15/09/606131509.db2.gz BQTDTXDCUVTLHZ-UHFFFAOYSA-N -1 3 393.425 0.563 20 0 GCADHM CS(=O)(=O)CC1(CC(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821919496 606131510 /nfs/dbraw/zinc/13/15/10/606131510.db2.gz BQTDTXDCUVTLHZ-UHFFFAOYSA-N -1 3 393.425 0.563 20 0 GCADHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000820254733 606133970 /nfs/dbraw/zinc/13/39/70/606133970.db2.gz VWYPJQYFSLYNRN-SNVBAGLBSA-N -1 3 394.436 0.692 20 0 GCADHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000820254733 606133972 /nfs/dbraw/zinc/13/39/72/606133972.db2.gz VWYPJQYFSLYNRN-SNVBAGLBSA-N -1 3 394.436 0.692 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820146648 606141736 /nfs/dbraw/zinc/14/17/36/606141736.db2.gz PZNORULTHGVXNO-UHFFFAOYSA-N -1 3 381.462 0.139 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820146648 606141738 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394.457 0.125 20 0 GCADHM COC(=O)C[C@@H](C)N1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821657390 606144962 /nfs/dbraw/zinc/14/49/62/606144962.db2.gz MYXWWLLMMMBFNR-GFCCVEGCSA-N -1 3 394.457 0.125 20 0 GCADHM Cn1cc(C[C@@H]2CCN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000822674658 606145312 /nfs/dbraw/zinc/14/53/12/606145312.db2.gz YSJQWIQSDDHODR-ZDUSSCGKSA-N -1 3 387.469 0.995 20 0 GCADHM Cn1cc(C[C@@H]2CCN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000822674658 606145314 /nfs/dbraw/zinc/14/53/14/606145314.db2.gz YSJQWIQSDDHODR-ZDUSSCGKSA-N -1 3 387.469 0.995 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819797330 606145585 /nfs/dbraw/zinc/14/55/85/606145585.db2.gz ZTRLJBRHHSVUHU-LBPRGKRZSA-N -1 3 386.412 0.032 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819797330 606145586 /nfs/dbraw/zinc/14/55/86/606145586.db2.gz ZTRLJBRHHSVUHU-LBPRGKRZSA-N -1 3 386.412 0.032 20 0 GCADHM Cn1ccc(N2CCC[C@H](OC(=O)Cc3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000822690086 606146507 /nfs/dbraw/zinc/14/65/07/606146507.db2.gz RZMAAAQAHSFKLQ-AWEZNQCLSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1ccc(N2CCC[C@H](OC(=O)Cc3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000822690086 606146509 /nfs/dbraw/zinc/14/65/09/606146509.db2.gz RZMAAAQAHSFKLQ-AWEZNQCLSA-N -1 3 381.396 0.882 20 0 GCADHM CCC(CC)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000820892557 606157953 /nfs/dbraw/zinc/15/79/53/606157953.db2.gz BMJKUHTXEBBGBS-CQSZACIVSA-N -1 3 391.480 0.859 20 0 GCADHM CCC(CC)[C@@H](CNC(=O)Nc1nn(C)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000820892557 606157954 /nfs/dbraw/zinc/15/79/54/606157954.db2.gz BMJKUHTXEBBGBS-CQSZACIVSA-N -1 3 391.480 0.859 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823337452 606162833 /nfs/dbraw/zinc/16/28/33/606162833.db2.gz MBVKITWXKDGMPD-CQSZACIVSA-N -1 3 389.391 0.907 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823337452 606162835 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399.455 0.788 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2csc(N(C)C)n2)c1-c1nnn[n-]1 ZINC000822319102 606169662 /nfs/dbraw/zinc/16/96/62/606169662.db2.gz ISODSRXAIOPRKE-UHFFFAOYSA-N -1 3 386.441 0.953 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2csc(N(C)C)n2)c1-c1nn[n-]n1 ZINC000822319102 606169663 /nfs/dbraw/zinc/16/96/63/606169663.db2.gz ISODSRXAIOPRKE-UHFFFAOYSA-N -1 3 386.441 0.953 20 0 GCADHM CN(C)c1nc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC000821591029 606169783 /nfs/dbraw/zinc/16/97/83/606169783.db2.gz QUISFLFNMDOKMN-UHFFFAOYSA-N -1 3 390.404 0.783 20 0 GCADHM CN(C)c1nc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC000821591029 606169785 /nfs/dbraw/zinc/16/97/85/606169785.db2.gz QUISFLFNMDOKMN-UHFFFAOYSA-N -1 3 390.404 0.783 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)CC1=O ZINC000821620438 606174558 /nfs/dbraw/zinc/17/45/58/606174558.db2.gz JVWRUBIMDVHKQX-ZDUSSCGKSA-N -1 3 384.444 0.319 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)CC1=O ZINC000821620438 606174560 /nfs/dbraw/zinc/17/45/60/606174560.db2.gz JVWRUBIMDVHKQX-ZDUSSCGKSA-N -1 3 384.444 0.319 20 0 GCADHM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821675482 606177186 /nfs/dbraw/zinc/17/71/86/606177186.db2.gz MGHDERRLKJWSGU-VIFPVBQESA-N -1 3 379.402 0.778 20 0 GCADHM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821675482 606177188 /nfs/dbraw/zinc/17/71/88/606177188.db2.gz MGHDERRLKJWSGU-VIFPVBQESA-N -1 3 379.402 0.778 20 0 GCADHM CO[C@@H](C)c1noc(C[S@](=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821675192 606180769 /nfs/dbraw/zinc/18/07/69/606180769.db2.gz FTPLFEFPGGNXNC-JNVGHINZSA-N -1 3 391.413 0.845 20 0 GCADHM CO[C@@H](C)c1noc(C[S@](=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821675192 606180770 /nfs/dbraw/zinc/18/07/70/606180770.db2.gz FTPLFEFPGGNXNC-JNVGHINZSA-N -1 3 391.413 0.845 20 0 GCADHM C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)C1CC1 ZINC000819857003 606181923 /nfs/dbraw/zinc/18/19/23/606181923.db2.gz 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O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000823467627 606251099 /nfs/dbraw/zinc/25/10/99/606251099.db2.gz ZMXKYLSGQWGFEP-UHFFFAOYSA-N -1 3 377.412 0.801 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000823467627 606251100 /nfs/dbraw/zinc/25/11/00/606251100.db2.gz ZMXKYLSGQWGFEP-UHFFFAOYSA-N -1 3 377.412 0.801 20 0 GCADHM O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000823000962 606251363 /nfs/dbraw/zinc/25/13/63/606251363.db2.gz FXKAOIXEAFUCBF-UHFFFAOYSA-N -1 3 396.411 0.718 20 0 GCADHM O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000823000962 606251366 /nfs/dbraw/zinc/25/13/66/606251366.db2.gz FXKAOIXEAFUCBF-UHFFFAOYSA-N -1 3 396.411 0.718 20 0 GCADHM CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000820137148 606252209 /nfs/dbraw/zinc/25/22/09/606252209.db2.gz GRTIBEKEKFYKDX-UHFFFAOYSA-N -1 3 389.441 0.812 20 0 GCADHM CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000820137148 606252210 /nfs/dbraw/zinc/25/22/10/606252210.db2.gz GRTIBEKEKFYKDX-UHFFFAOYSA-N -1 3 389.441 0.812 20 0 GCADHM CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820016525 606252392 /nfs/dbraw/zinc/25/23/92/606252392.db2.gz NIZZTDJKPPMWSZ-ZWNOBZJWSA-N -1 3 377.474 0.881 20 0 GCADHM CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820016525 606252393 /nfs/dbraw/zinc/25/23/93/606252393.db2.gz NIZZTDJKPPMWSZ-ZWNOBZJWSA-N -1 3 377.474 0.881 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)cn3C)C2=O)cc1 ZINC000821794408 606254159 /nfs/dbraw/zinc/25/41/59/606254159.db2.gz GDHNWEHSVXNVHR-OAHLLOKOSA-N -1 3 395.423 0.745 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)cn3C)C2=O)cc1 ZINC000821794408 606254160 /nfs/dbraw/zinc/25/41/60/606254160.db2.gz GDHNWEHSVXNVHR-OAHLLOKOSA-N -1 3 395.423 0.745 20 0 GCADHM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821637335 606260691 /nfs/dbraw/zinc/26/06/91/606260691.db2.gz BNRRMACSLMMCJY-SECBINFHSA-N 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GCADHM CCc1nc(CN2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)cn3C)C2)no1 ZINC000821510064 606289076 /nfs/dbraw/zinc/28/90/76/606289076.db2.gz VEIYZLDXPJIZQK-GFCCVEGCSA-N -1 3 385.432 0.545 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000822632135 606289649 /nfs/dbraw/zinc/28/96/49/606289649.db2.gz RMRKIRNRACFLHH-QGZVFWFLSA-N -1 3 395.467 0.879 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 ZINC000822632135 606289650 /nfs/dbraw/zinc/28/96/50/606289650.db2.gz RMRKIRNRACFLHH-QGZVFWFLSA-N -1 3 395.467 0.879 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000822627854 606290996 /nfs/dbraw/zinc/29/09/96/606290996.db2.gz RLRDCRFJUQGTGE-UHFFFAOYSA-N -1 3 381.396 0.509 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000822627854 606290997 /nfs/dbraw/zinc/29/09/97/606290997.db2.gz RLRDCRFJUQGTGE-UHFFFAOYSA-N -1 3 381.396 0.509 20 0 GCADHM O=C(NC[C@@H](O)COCC1CC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823166703 606292260 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3 392.441 0.751 20 0 GCADHM CCC1(CC)NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820955977 606307410 /nfs/dbraw/zinc/30/74/10/606307410.db2.gz GLWKWYXLQPDDKY-UHFFFAOYSA-N -1 3 392.441 0.751 20 0 GCADHM CC(C)[C@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820045564 606307448 /nfs/dbraw/zinc/30/74/48/606307448.db2.gz NOXIOQCVCQSTLE-GFCCVEGCSA-N -1 3 378.414 0.217 20 0 GCADHM CC(C)[C@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820045564 606307451 /nfs/dbraw/zinc/30/74/51/606307451.db2.gz NOXIOQCVCQSTLE-GFCCVEGCSA-N -1 3 378.414 0.217 20 0 GCADHM CCC[C@@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821028391 606309061 /nfs/dbraw/zinc/30/90/61/606309061.db2.gz UXDVIMPWWCQXNN-MRXNPFEDSA-N -1 3 392.441 0.751 20 0 GCADHM CCC[C@@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821028391 606309063 /nfs/dbraw/zinc/30/90/63/606309063.db2.gz UXDVIMPWWCQXNN-MRXNPFEDSA-N -1 3 392.441 0.751 20 0 GCADHM CNC(=O)Cc1nc(COC(=O)COc2ccccc2-c2nnn[n-]2)cs1 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ZINC000821690896 606316562 /nfs/dbraw/zinc/31/65/62/606316562.db2.gz ALSJHTJJQSQSPX-ZDUSSCGKSA-N -1 3 377.474 0.298 20 0 GCADHM CN1CCN(C(=O)c2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)CC1 ZINC000821626827 606316758 /nfs/dbraw/zinc/31/67/58/606316758.db2.gz AOUBFFZWSHFCJR-UHFFFAOYSA-N -1 3 380.412 0.835 20 0 GCADHM CN1CCN(C(=O)c2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)CC1 ZINC000821626827 606316759 /nfs/dbraw/zinc/31/67/59/606316759.db2.gz AOUBFFZWSHFCJR-UHFFFAOYSA-N -1 3 380.412 0.835 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](c2noc(C)n2)C1 ZINC000821651747 606317477 /nfs/dbraw/zinc/31/74/77/606317477.db2.gz FVTJALSMOIGCBM-KBPBESRZSA-N -1 3 385.384 0.846 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](c2noc(C)n2)C1 ZINC000821651747 606317479 /nfs/dbraw/zinc/31/74/79/606317479.db2.gz FVTJALSMOIGCBM-KBPBESRZSA-N -1 3 385.384 0.846 20 0 GCADHM CN(C[C@H]1CN(C)CCO1)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821628735 606320443 /nfs/dbraw/zinc/32/04/43/606320443.db2.gz PARSWMJGNGXPRX-YPMHNXCESA-N -1 3 377.474 0.296 20 0 GCADHM CN(C[C@H]1CN(C)CCO1)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821628735 606320445 /nfs/dbraw/zinc/32/04/45/606320445.db2.gz PARSWMJGNGXPRX-YPMHNXCESA-N -1 3 377.474 0.296 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000823459765 606320695 /nfs/dbraw/zinc/32/06/95/606320695.db2.gz CCVVHKJKEUJJDI-UHFFFAOYSA-N -1 3 396.455 0.955 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000823459765 606320696 /nfs/dbraw/zinc/32/06/96/606320696.db2.gz CCVVHKJKEUJJDI-UHFFFAOYSA-N -1 3 396.455 0.955 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cncn2)C1 ZINC000821652426 606321202 /nfs/dbraw/zinc/32/12/02/606321202.db2.gz RXAJETZOPRTUOD-LSDHHAIUSA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cncn2)C1 ZINC000821652426 606321205 /nfs/dbraw/zinc/32/12/05/606321205.db2.gz RXAJETZOPRTUOD-LSDHHAIUSA-N -1 3 384.400 0.073 20 0 GCADHM CC(C)(CO)N1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000819988254 606321761 /nfs/dbraw/zinc/32/17/61/606321761.db2.gz VTIFUTKBQPSNNN-CYBMUJFWSA-N -1 3 391.501 0.422 20 0 GCADHM O=C1[C@H](N2CCC[C@@H](n3cncn3)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503143 606321870 /nfs/dbraw/zinc/32/18/70/606321870.db2.gz CBZNPCRBYHYPQW-DGCLKSJQSA-N -1 3 385.457 0.962 20 0 GCADHM O=C1[C@H](N2CCC[C@@H](n3cncn3)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503143 606321871 /nfs/dbraw/zinc/32/18/71/606321871.db2.gz CBZNPCRBYHYPQW-DGCLKSJQSA-N -1 3 385.457 0.962 20 0 GCADHM O=C1[C@@H](N2CCC[C@@H](OCCO)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503345 606324000 /nfs/dbraw/zinc/32/40/00/606324000.db2.gz DBFRLIQTGHBNRZ-YPMHNXCESA-N -1 3 378.458 0.507 20 0 GCADHM O=C1[C@@H](N2CCC[C@@H](OCCO)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503345 606324002 /nfs/dbraw/zinc/32/40/02/606324002.db2.gz DBFRLIQTGHBNRZ-YPMHNXCESA-N -1 3 378.458 0.507 20 0 GCADHM Cn1cnc2c1c(=O)n(CCCSc1cccc(-c3nnn[n-]3)c1)c(=O)n2C ZINC000822699330 606329425 /nfs/dbraw/zinc/32/94/25/606329425.db2.gz WHBBHRNXQZMURU-UHFFFAOYSA-N -1 3 398.452 0.796 20 0 GCADHM Cn1cnc2c1c(=O)n(CCCSc1cccc(-c3nn[n-]n3)c1)c(=O)n2C ZINC000822699330 606329428 /nfs/dbraw/zinc/32/94/28/606329428.db2.gz WHBBHRNXQZMURU-UHFFFAOYSA-N -1 3 398.452 0.796 20 0 GCADHM CC[C@H](CO)N1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820907771 606330241 /nfs/dbraw/zinc/33/02/41/606330241.db2.gz HAAVHKFLMWHYGL-OCCSQVGLSA-N -1 3 391.501 0.422 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CCO1 ZINC000821326473 606330385 /nfs/dbraw/zinc/33/03/85/606330385.db2.gz XVVWVSBHMZFGBY-RYUDHWBXSA-N -1 3 392.441 0.297 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CCO1 ZINC000821326473 606330387 /nfs/dbraw/zinc/33/03/87/606330387.db2.gz XVVWVSBHMZFGBY-RYUDHWBXSA-N -1 3 392.441 0.297 20 0 GCADHM NC(=O)NC1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000822874329 606330749 /nfs/dbraw/zinc/33/07/49/606330749.db2.gz XRWDYQFOUSFKKZ-LLVKDONJSA-N -1 3 376.446 0.166 20 0 GCADHM NC(=O)NC1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000822874329 606330750 /nfs/dbraw/zinc/33/07/50/606330750.db2.gz XRWDYQFOUSFKKZ-LLVKDONJSA-N -1 3 376.446 0.166 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000821649806 606334404 /nfs/dbraw/zinc/33/44/04/606334404.db2.gz DJXPNHPYGGIYNF-HZPDHXFCSA-N -1 3 383.412 0.888 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000821649806 606334406 /nfs/dbraw/zinc/33/44/06/606334406.db2.gz DJXPNHPYGGIYNF-HZPDHXFCSA-N -1 3 383.412 0.888 20 0 GCADHM Cn1cc([C@H]2CN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822673779 606334781 /nfs/dbraw/zinc/33/47/81/606334781.db2.gz AYDFCNLSVFPTKR-MRXNPFEDSA-N -1 3 382.428 0.290 20 0 GCADHM Cn1cc([C@H]2CN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822673779 606334782 /nfs/dbraw/zinc/33/47/82/606334782.db2.gz AYDFCNLSVFPTKR-MRXNPFEDSA-N -1 3 382.428 0.290 20 0 GCADHM Cn1cc([C@@H]2CN([C@@H]3CCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCO2)cn1 ZINC000822674704 606336619 /nfs/dbraw/zinc/33/66/19/606336619.db2.gz ZZYXUTVVQDTZJT-SJORKVTESA-N -1 3 394.439 0.779 20 0 GCADHM Cn1cc([C@@H]2CN([C@@H]3CCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCO2)cn1 ZINC000822674704 606336620 /nfs/dbraw/zinc/33/66/20/606336620.db2.gz ZZYXUTVVQDTZJT-SJORKVTESA-N -1 3 394.439 0.779 20 0 GCADHM CC(C)NC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820134270 606338999 /nfs/dbraw/zinc/33/89/99/606338999.db2.gz YHLLPCNFMASFEK-UHFFFAOYSA-N -1 3 392.363 0.688 20 0 GCADHM CC(C)NC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820134270 606339000 /nfs/dbraw/zinc/33/90/00/606339000.db2.gz YHLLPCNFMASFEK-UHFFFAOYSA-N -1 3 392.363 0.688 20 0 GCADHM CN1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1=O ZINC000821621983 606341151 /nfs/dbraw/zinc/34/11/51/606341151.db2.gz NTLIVKGIFNUPAZ-ZETCQYMHSA-N -1 3 390.347 0.395 20 0 GCADHM CN1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1=O ZINC000821621983 606341152 /nfs/dbraw/zinc/34/11/52/606341152.db2.gz NTLIVKGIFNUPAZ-ZETCQYMHSA-N -1 3 390.347 0.395 20 0 GCADHM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820641540 606342587 /nfs/dbraw/zinc/34/25/87/606342587.db2.gz DCIIGGXVMCKRLQ-SSDOTTSWSA-N -1 3 390.347 0.395 20 0 GCADHM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820641540 606342588 /nfs/dbraw/zinc/34/25/88/606342588.db2.gz DCIIGGXVMCKRLQ-SSDOTTSWSA-N -1 3 390.347 0.395 20 0 GCADHM CC[S@@](=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821446691 606342640 /nfs/dbraw/zinc/34/26/40/606342640.db2.gz COBSXPGMQACBIM-XMMPIXPASA-N -1 3 397.404 0.932 20 0 GCADHM CC[S@@](=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821446691 606342642 /nfs/dbraw/zinc/34/26/42/606342642.db2.gz COBSXPGMQACBIM-XMMPIXPASA-N -1 3 397.404 0.932 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820766928 606350920 /nfs/dbraw/zinc/35/09/20/606350920.db2.gz FLKPYBHSXQMKLV-CABZTGNLSA-N -1 3 397.436 0.797 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820766928 606350921 /nfs/dbraw/zinc/35/09/21/606350921.db2.gz FLKPYBHSXQMKLV-CABZTGNLSA-N -1 3 397.436 0.797 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821368677 606350930 /nfs/dbraw/zinc/35/09/30/606350930.db2.gz UTZTUVWNWRYFJF-CYBMUJFWSA-N -1 3 393.423 0.553 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821368677 606350931 /nfs/dbraw/zinc/35/09/31/606350931.db2.gz UTZTUVWNWRYFJF-CYBMUJFWSA-N -1 3 393.423 0.553 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)C2=O)cn1 ZINC000822679344 606351618 /nfs/dbraw/zinc/35/16/18/606351618.db2.gz BPNXDZKLQFOGGU-ZDUSSCGKSA-N -1 3 385.363 0.666 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)C2=O)cn1 ZINC000822679344 606351620 /nfs/dbraw/zinc/35/16/20/606351620.db2.gz BPNXDZKLQFOGGU-ZDUSSCGKSA-N -1 3 385.363 0.666 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821636300 606354465 /nfs/dbraw/zinc/35/44/65/606354465.db2.gz MRXGWSCLCWSXNL-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821636300 606354466 /nfs/dbraw/zinc/35/44/66/606354466.db2.gz MRXGWSCLCWSXNL-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM CNS(=O)(=O)CC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000821636694 606360645 /nfs/dbraw/zinc/36/06/45/606360645.db2.gz ZCTXOIRCTNONFE-UHFFFAOYSA-N -1 3 389.397 0.542 20 0 GCADHM CNS(=O)(=O)CC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000821636694 606360647 /nfs/dbraw/zinc/36/06/47/606360647.db2.gz ZCTXOIRCTNONFE-UHFFFAOYSA-N -1 3 389.397 0.542 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000819899756 606365716 /nfs/dbraw/zinc/36/57/16/606365716.db2.gz YFXLTCBWNDECDH-SNVBAGLBSA-N -1 3 392.441 0.739 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000819899756 606365718 /nfs/dbraw/zinc/36/57/18/606365718.db2.gz YFXLTCBWNDECDH-SNVBAGLBSA-N -1 3 392.441 0.739 20 0 GCADHM O=C(O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)c1cnn2cccnc12 ZINC000823392746 606367951 /nfs/dbraw/zinc/36/79/51/606367951.db2.gz SSKFPZSOQPDTST-LLVKDONJSA-N -1 3 396.392 0.933 20 0 GCADHM O=C(O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)c1cnn2cccnc12 ZINC000823392746 606367953 /nfs/dbraw/zinc/36/79/53/606367953.db2.gz SSKFPZSOQPDTST-LLVKDONJSA-N -1 3 396.392 0.933 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000821646624 606367992 /nfs/dbraw/zinc/36/79/92/606367992.db2.gz LJAQUJWJPWALSN-IINYFYTJSA-N -1 3 394.409 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000821646624 606367994 /nfs/dbraw/zinc/36/79/94/606367994.db2.gz LJAQUJWJPWALSN-IINYFYTJSA-N -1 3 394.409 0.449 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000821647301 606368390 /nfs/dbraw/zinc/36/83/90/606368390.db2.gz XOZDEGNYQBXCCZ-NEPJUHHUSA-N -1 3 380.382 0.059 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000821647301 606368391 /nfs/dbraw/zinc/36/83/91/606368391.db2.gz XOZDEGNYQBXCCZ-NEPJUHHUSA-N -1 3 380.382 0.059 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CCCN(C(C)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000821647348 606368553 /nfs/dbraw/zinc/36/85/53/606368553.db2.gz YIGTXNWFDOQENC-LSDHHAIUSA-N -1 3 387.396 0.883 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CCCN(C(C)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000821647348 606368554 /nfs/dbraw/zinc/36/85/54/606368554.db2.gz YIGTXNWFDOQENC-LSDHHAIUSA-N -1 3 387.396 0.883 20 0 GCADHM CCC(=O)N[C@H](C)C(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000820837963 606369482 /nfs/dbraw/zinc/36/94/82/606369482.db2.gz OMCQLFHXFJGIJC-PSASIEDQSA-N -1 3 378.414 0.491 20 0 GCADHM CCC(=O)N[C@H](C)C(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820837963 606369483 /nfs/dbraw/zinc/36/94/83/606369483.db2.gz OMCQLFHXFJGIJC-PSASIEDQSA-N -1 3 378.414 0.491 20 0 GCADHM COC(=O)[C@H](OC(=O)CCn1ccccc1=O)c1cccc(-c2nnn[n-]2)c1 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606609800 /nfs/dbraw/zinc/60/98/00/606609800.db2.gz ZAOPSRSEAJSCOJ-GFCCVEGCSA-N -1 3 388.428 0.825 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](CCO)C1 ZINC000821401671 606609801 /nfs/dbraw/zinc/60/98/01/606609801.db2.gz ZAOPSRSEAJSCOJ-GFCCVEGCSA-N -1 3 388.428 0.825 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCN1C[C@@H](C)O ZINC000820989689 606609977 /nfs/dbraw/zinc/60/99/77/606609977.db2.gz YWODHZBWHMVRAQ-IUODEOHRSA-N -1 3 387.444 0.109 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000820151895 606610797 /nfs/dbraw/zinc/61/07/97/606610797.db2.gz QELIJNGMNXGKAE-WCQYABFASA-N -1 3 386.412 0.646 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000820151895 606610800 /nfs/dbraw/zinc/61/08/00/606610800.db2.gz QELIJNGMNXGKAE-WCQYABFASA-N -1 3 386.412 0.646 20 0 GCADHM C[C@@H](CCO)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820249346 606610838 /nfs/dbraw/zinc/61/08/38/606610838.db2.gz UZBYIDIKYXBPEY-NSHDSACASA-N -1 3 397.395 0.880 20 0 GCADHM CC(C)[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC1 ZINC000820183417 606611157 /nfs/dbraw/zinc/61/11/57/606611157.db2.gz AYLNVPFZTXQUKU-AWEZNQCLSA-N -1 3 385.428 0.568 20 0 GCADHM CC(C)[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC1 ZINC000820183417 606611158 /nfs/dbraw/zinc/61/11/58/606611158.db2.gz AYLNVPFZTXQUKU-AWEZNQCLSA-N -1 3 385.428 0.568 20 0 GCADHM CC[C@H](CCO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820902307 606611422 /nfs/dbraw/zinc/61/14/22/606611422.db2.gz JJYNZESWLHZWHG-GFCCVEGCSA-N -1 3 376.417 0.870 20 0 GCADHM CC[C@H](CCO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820902307 606611424 /nfs/dbraw/zinc/61/14/24/606611424.db2.gz JJYNZESWLHZWHG-GFCCVEGCSA-N -1 3 376.417 0.870 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000823303932 606612000 /nfs/dbraw/zinc/61/20/00/606612000.db2.gz YZZCGDTXCPAYQG-VIFPVBQESA-N -1 3 389.803 0.338 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000823303932 606612003 /nfs/dbraw/zinc/61/20/03/606612003.db2.gz YZZCGDTXCPAYQG-VIFPVBQESA-N -1 3 389.803 0.338 20 0 GCADHM C[C@]1(O)CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820623708 606612064 /nfs/dbraw/zinc/61/20/64/606612064.db2.gz WVERJSOSCHWCMM-HNNXBMFYSA-N -1 3 382.327 0.390 20 0 GCADHM C[C@]1(O)CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820623708 606612066 /nfs/dbraw/zinc/61/20/66/606612066.db2.gz WVERJSOSCHWCMM-HNNXBMFYSA-N -1 3 382.327 0.390 20 0 GCADHM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820226616 606612135 /nfs/dbraw/zinc/61/21/35/606612135.db2.gz WEIRGUSVMYGVAN-ZCFIWIBFSA-N -1 3 385.306 0.204 20 0 GCADHM C[C@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820226616 606612137 /nfs/dbraw/zinc/61/21/37/606612137.db2.gz WEIRGUSVMYGVAN-ZCFIWIBFSA-N -1 3 385.306 0.204 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)[C@H](CO)SC ZINC000821400600 606612729 /nfs/dbraw/zinc/61/27/29/606612729.db2.gz MEQQYBZYGQQJQK-RNCFNFMXSA-N -1 3 394.457 0.433 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)[C@H](CO)SC ZINC000821400600 606612732 /nfs/dbraw/zinc/61/27/32/606612732.db2.gz MEQQYBZYGQQJQK-RNCFNFMXSA-N -1 3 394.457 0.433 20 0 GCADHM CC1(CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCOCC1 ZINC000820612991 606613816 /nfs/dbraw/zinc/61/38/16/606613816.db2.gz PPGPXNKEWNOFRV-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM CC1(CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCOCC1 ZINC000820612991 606613817 /nfs/dbraw/zinc/61/38/17/606613817.db2.gz PPGPXNKEWNOFRV-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM CO[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1(C)C ZINC000821678638 606614678 /nfs/dbraw/zinc/61/46/78/606614678.db2.gz QJCZKFVYKNTEHZ-KGLIPLIRSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1(C)C ZINC000821678638 606614680 /nfs/dbraw/zinc/61/46/80/606614680.db2.gz QJCZKFVYKNTEHZ-KGLIPLIRSA-N -1 3 386.460 0.907 20 0 GCADHM CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821598336 606614798 /nfs/dbraw/zinc/61/47/98/606614798.db2.gz YZFQQFGIXBAWLC-VIFPVBQESA-N -1 3 396.354 0.902 20 0 GCADHM CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821598336 606614800 /nfs/dbraw/zinc/61/48/00/606614800.db2.gz YZFQQFGIXBAWLC-VIFPVBQESA-N -1 3 396.354 0.902 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822873505 606614922 /nfs/dbraw/zinc/61/49/22/606614922.db2.gz DDBBFGOKILJTIW-UHFFFAOYSA-N -1 3 395.379 0.974 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822873505 606614923 /nfs/dbraw/zinc/61/49/23/606614923.db2.gz DDBBFGOKILJTIW-UHFFFAOYSA-N -1 3 395.379 0.974 20 0 GCADHM CC(C)S(=O)(=O)CCN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000820183462 606616091 /nfs/dbraw/zinc/61/60/91/606616091.db2.gz DFPVWCAQUFDARW-UHFFFAOYSA-N -1 3 382.465 0.951 20 0 GCADHM CNC(=O)Cc1noc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000821634133 606616639 /nfs/dbraw/zinc/61/66/39/606616639.db2.gz SSOPRGZZLMPOIE-UHFFFAOYSA-N -1 3 398.427 0.582 20 0 GCADHM CNC(=O)Cc1noc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000821634133 606616640 /nfs/dbraw/zinc/61/66/40/606616640.db2.gz SSOPRGZZLMPOIE-UHFFFAOYSA-N -1 3 398.427 0.582 20 0 GCADHM COC(=O)CCC1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821660060 606617395 /nfs/dbraw/zinc/61/73/95/606617395.db2.gz DUPHOJYIDJLRIE-UHFFFAOYSA-N -1 3 386.412 0.997 20 0 GCADHM COC(=O)CCC1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821660060 606617396 /nfs/dbraw/zinc/61/73/96/606617396.db2.gz DUPHOJYIDJLRIE-UHFFFAOYSA-N -1 3 386.412 0.997 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636349 606623488 /nfs/dbraw/zinc/62/34/88/606623488.db2.gz OGZIGJYXYFMASS-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636349 606623490 /nfs/dbraw/zinc/62/34/90/606623490.db2.gz OGZIGJYXYFMASS-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821636635 606623637 /nfs/dbraw/zinc/62/36/37/606623637.db2.gz XIMJHFOEMKLVBR-FZMZJTMJSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821636635 606623639 /nfs/dbraw/zinc/62/36/39/606623639.db2.gz XIMJHFOEMKLVBR-FZMZJTMJSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821636637 606623686 /nfs/dbraw/zinc/62/36/86/606623686.db2.gz XIMJHFOEMKLVBR-SMDDNHRTSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821636637 606623687 /nfs/dbraw/zinc/62/36/87/606623687.db2.gz XIMJHFOEMKLVBR-SMDDNHRTSA-N -1 3 393.473 0.207 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820287818 606625530 /nfs/dbraw/zinc/62/55/30/606625530.db2.gz QKHDVBJUAIAHLD-MWLCHTKSSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820287818 606625532 /nfs/dbraw/zinc/62/55/32/606625532.db2.gz QKHDVBJUAIAHLD-MWLCHTKSSA-N -1 3 394.819 0.769 20 0 GCADHM COC(=O)C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CC1 ZINC000821659259 606625732 /nfs/dbraw/zinc/62/57/32/606625732.db2.gz XMIYDZRZCMBJAJ-CQSZACIVSA-N -1 3 396.411 0.706 20 0 GCADHM COC(=O)C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CC1 ZINC000821659259 606625734 /nfs/dbraw/zinc/62/57/34/606625734.db2.gz XMIYDZRZCMBJAJ-CQSZACIVSA-N -1 3 396.411 0.706 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820286542 606635742 /nfs/dbraw/zinc/63/57/42/606635742.db2.gz CDKOKHWENQEKTQ-KOLCDFICSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820286542 606635743 /nfs/dbraw/zinc/63/57/43/606635743.db2.gz CDKOKHWENQEKTQ-KOLCDFICSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820286255 606635766 /nfs/dbraw/zinc/63/57/66/606635766.db2.gz ACHLLKGKJUHGOC-MWLCHTKSSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820286255 606635767 /nfs/dbraw/zinc/63/57/67/606635767.db2.gz ACHLLKGKJUHGOC-MWLCHTKSSA-N -1 3 378.364 0.255 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(C)n1 ZINC000822207302 606637835 /nfs/dbraw/zinc/63/78/35/606637835.db2.gz RBBLYFVLGMGJKG-UHFFFAOYSA-N -1 3 390.429 0.168 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC000822207302 606637836 /nfs/dbraw/zinc/63/78/36/606637836.db2.gz RBBLYFVLGMGJKG-UHFFFAOYSA-N -1 3 390.429 0.168 20 0 GCADHM Cc1cc(NC(=O)CN(c2ccc(-c3nn[n-]n3)cc2)S(C)(=O)=O)n(C)n1 ZINC000822207315 606638079 /nfs/dbraw/zinc/63/80/79/606638079.db2.gz RJOHCFTWGGDOFL-UHFFFAOYSA-N -1 3 390.429 0.313 20 0 GCADHM C[C@@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820635225 606638575 /nfs/dbraw/zinc/63/85/75/606638575.db2.gz KMOXLEKXSUHVMV-SFHVURJKSA-N -1 3 392.379 0.667 20 0 GCADHM C[C@@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820635225 606638576 /nfs/dbraw/zinc/63/85/76/606638576.db2.gz KMOXLEKXSUHVMV-SFHVURJKSA-N -1 3 392.379 0.667 20 0 GCADHM Cn1nccc1CNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000822710084 606639158 /nfs/dbraw/zinc/63/91/58/606639158.db2.gz YDEOMBIYTXFBKI-UHFFFAOYSA-N -1 3 398.246 0.841 20 0 GCADHM Cn1nccc1CNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000822710084 606639159 /nfs/dbraw/zinc/63/91/59/606639159.db2.gz YDEOMBIYTXFBKI-UHFFFAOYSA-N -1 3 398.246 0.841 20 0 GCADHM CC1(CNS(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)COC1 ZINC000820618939 606639435 /nfs/dbraw/zinc/63/94/35/606639435.db2.gz UDJVSNPUYBUIEH-UHFFFAOYSA-N -1 3 388.247 0.944 20 0 GCADHM CC1(CNS(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)COC1 ZINC000820618939 606639436 /nfs/dbraw/zinc/63/94/36/606639436.db2.gz UDJVSNPUYBUIEH-UHFFFAOYSA-N -1 3 388.247 0.944 20 0 GCADHM CN1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)C1 ZINC000821622022 606639572 /nfs/dbraw/zinc/63/95/72/606639572.db2.gz PDYBFPRHAQPDFA-SNVBAGLBSA-N -1 3 387.263 0.612 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823601136 606639840 /nfs/dbraw/zinc/63/98/40/606639840.db2.gz SVOGEUKOCXVTNO-LBPRGKRZSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823601136 606639841 /nfs/dbraw/zinc/63/98/41/606639841.db2.gz SVOGEUKOCXVTNO-LBPRGKRZSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(NCCn1cncn1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000823578969 606639949 /nfs/dbraw/zinc/63/99/49/606639949.db2.gz XSHINUVWFDUCEU-UHFFFAOYSA-N -1 3 399.234 0.199 20 0 GCADHM O=S(=O)(NCCn1cncn1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000823578969 606639950 /nfs/dbraw/zinc/63/99/50/606639950.db2.gz XSHINUVWFDUCEU-UHFFFAOYSA-N -1 3 399.234 0.199 20 0 GCADHM O=S(=O)(c1cccc(F)c1-c1nnn[n-]1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823606494 606640012 /nfs/dbraw/zinc/64/00/12/606640012.db2.gz IVFRVXJNHQIGRK-GFCCVEGCSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(c1cccc(F)c1-c1nn[n-]n1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823606494 606640013 /nfs/dbraw/zinc/64/00/13/606640013.db2.gz IVFRVXJNHQIGRK-GFCCVEGCSA-N -1 3 396.448 0.349 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000822439645 606641060 /nfs/dbraw/zinc/64/10/60/606641060.db2.gz CPYOVYOHWOQILQ-AWEZNQCLSA-N -1 3 398.427 0.670 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000822439645 606641061 /nfs/dbraw/zinc/64/10/61/606641061.db2.gz CPYOVYOHWOQILQ-AWEZNQCLSA-N -1 3 398.427 0.670 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000822439432 606641093 /nfs/dbraw/zinc/64/10/93/606641093.db2.gz BCANOMWRRFUGIJ-OAHLLOKOSA-N -1 3 382.428 0.834 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000822439432 606641094 /nfs/dbraw/zinc/64/10/94/606641094.db2.gz BCANOMWRRFUGIJ-OAHLLOKOSA-N -1 3 382.428 0.834 20 0 GCADHM Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)c(-c2nnn[n-]2)c1C ZINC000822509899 606644201 /nfs/dbraw/zinc/64/42/01/606644201.db2.gz GRVCTCQUGHVIHJ-UHFFFAOYSA-N -1 3 380.412 0.942 20 0 GCADHM Cc1nnc(N2CCN(C(=O)c3ccc(O)cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000822509899 606644202 /nfs/dbraw/zinc/64/42/02/606644202.db2.gz GRVCTCQUGHVIHJ-UHFFFAOYSA-N -1 3 380.412 0.942 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(CCO)C(C)C ZINC000821688149 606646508 /nfs/dbraw/zinc/64/65/08/606646508.db2.gz ACNMAEWWKSDZRV-UHFFFAOYSA-N -1 3 393.492 0.963 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821695070 606659033 /nfs/dbraw/zinc/65/90/33/606659033.db2.gz IDPFIIARIVTHSV-LLVKDONJSA-N -1 3 384.400 0.526 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821695070 606659034 /nfs/dbraw/zinc/65/90/34/606659034.db2.gz IDPFIIARIVTHSV-LLVKDONJSA-N -1 3 384.400 0.526 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821688325 606659243 /nfs/dbraw/zinc/65/92/43/606659243.db2.gz HEKQYFMCULLVGJ-LBPRGKRZSA-N -1 3 398.427 0.916 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821688325 606659244 /nfs/dbraw/zinc/65/92/44/606659244.db2.gz HEKQYFMCULLVGJ-LBPRGKRZSA-N -1 3 398.427 0.916 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821688475 606659249 /nfs/dbraw/zinc/65/92/49/606659249.db2.gz MBZHWGCTOCSBTB-UHFFFAOYSA-N -1 3 384.400 0.355 20 0 GCADHM COCCCn1ccc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821688475 606659250 /nfs/dbraw/zinc/65/92/50/606659250.db2.gz MBZHWGCTOCSBTB-UHFFFAOYSA-N -1 3 384.400 0.355 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(CCO)CCN1CCOCC1 ZINC000823302900 606659927 /nfs/dbraw/zinc/65/99/27/606659927.db2.gz ACBXGDFIRCUMPI-UHFFFAOYSA-N -1 3 395.851 0.679 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(CCO)CCN1CCOCC1 ZINC000823302900 606659928 /nfs/dbraw/zinc/65/99/28/606659928.db2.gz ACBXGDFIRCUMPI-UHFFFAOYSA-N -1 3 395.851 0.679 20 0 GCADHM COC[C@@](C)(O)C(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000821682005 606659960 /nfs/dbraw/zinc/65/99/60/606659960.db2.gz XWSOBRUPHNZHMR-LJQANCHMSA-N -1 3 397.439 0.461 20 0 GCADHM COC[C@@](C)(O)C(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000821682005 606659961 /nfs/dbraw/zinc/65/99/61/606659961.db2.gz XWSOBRUPHNZHMR-LJQANCHMSA-N -1 3 397.439 0.461 20 0 GCADHM NS(=O)(=O)c1ccc(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822894819 606661477 /nfs/dbraw/zinc/66/14/77/606661477.db2.gz HBXOEZLRCXUIBE-UHFFFAOYSA-N -1 3 394.363 0.722 20 0 GCADHM NS(=O)(=O)c1ccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822894819 606661478 /nfs/dbraw/zinc/66/14/78/606661478.db2.gz HBXOEZLRCXUIBE-UHFFFAOYSA-N -1 3 394.363 0.722 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H](N2CCNC2=O)C1 ZINC000823454090 606674058 /nfs/dbraw/zinc/67/40/58/606674058.db2.gz LQCBXCXTYQKGIY-JTQLQIEISA-N -1 3 377.355 0.775 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H](N2CCNC2=O)C1 ZINC000823454090 606674059 /nfs/dbraw/zinc/67/40/59/606674059.db2.gz LQCBXCXTYQKGIY-JTQLQIEISA-N -1 3 377.355 0.775 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822669805 606679355 /nfs/dbraw/zinc/67/93/55/606679355.db2.gz QGPPLLOIDSTWDT-UHFFFAOYSA-N -1 3 395.427 0.098 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822669805 606679356 /nfs/dbraw/zinc/67/93/56/606679356.db2.gz QGPPLLOIDSTWDT-UHFFFAOYSA-N -1 3 395.427 0.098 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2=O)cn1 ZINC000822681255 606680919 /nfs/dbraw/zinc/68/09/19/606680919.db2.gz VYISZPFKROSTEU-GFCCVEGCSA-N -1 3 388.338 0.414 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2=O)cn1 ZINC000822681255 606680920 /nfs/dbraw/zinc/68/09/20/606680920.db2.gz VYISZPFKROSTEU-GFCCVEGCSA-N -1 3 388.338 0.414 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823541326 606687903 /nfs/dbraw/zinc/68/79/03/606687903.db2.gz PCULKQLPQNHYTN-ZKANADHPSA-N -1 3 391.338 0.253 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823541326 606687904 /nfs/dbraw/zinc/68/79/04/606687904.db2.gz PCULKQLPQNHYTN-ZKANADHPSA-N -1 3 391.338 0.253 20 0 GCADHM O=C(c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)N1C[C@H](O)C[C@H](O)C1 ZINC000823488870 606688647 /nfs/dbraw/zinc/68/86/47/606688647.db2.gz WTDRMRDAPDMXCR-BETUJISGSA-N -1 3 385.380 0.606 20 0 GCADHM Cc1oc(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1S(N)(=O)=O ZINC000822542209 606694365 /nfs/dbraw/zinc/69/43/65/606694365.db2.gz VJBWYIGUHUOPDN-QMMMGPOBSA-N -1 3 376.398 0.907 20 0 GCADHM Cc1oc(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1S(N)(=O)=O ZINC000822542209 606694366 /nfs/dbraw/zinc/69/43/66/606694366.db2.gz VJBWYIGUHUOPDN-QMMMGPOBSA-N -1 3 376.398 0.907 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](CCO)c1ccccc1 ZINC000823005133 606698546 /nfs/dbraw/zinc/69/85/46/606698546.db2.gz DBEKNFSXQIFOBC-KRWDZBQOSA-N -1 3 394.435 0.879 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](CCO)c1ccccc1 ZINC000823005133 606698548 /nfs/dbraw/zinc/69/85/48/606698548.db2.gz DBEKNFSXQIFOBC-KRWDZBQOSA-N -1 3 394.435 0.879 20 0 GCADHM C[S@](=O)CCN1CCN(CCC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821942822 606708115 /nfs/dbraw/zinc/70/81/15/606708115.db2.gz RQGDJVDFZPYZTJ-MHZLTWQESA-N -1 3 391.501 0.191 20 0 GCADHM COC[C@@](C)(CC(=O)OC)NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821680735 606710496 /nfs/dbraw/zinc/71/04/96/606710496.db2.gz SQFCGACNKZSCGI-QGZVFWFLSA-N -1 3 387.400 0.975 20 0 GCADHM COC[C@@](C)(CC(=O)OC)NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821680735 606710498 /nfs/dbraw/zinc/71/04/98/606710498.db2.gz SQFCGACNKZSCGI-QGZVFWFLSA-N -1 3 387.400 0.975 20 0 GCADHM COC[C@](C)(CC(=O)OC)NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821680697 606710605 /nfs/dbraw/zinc/71/06/05/606710605.db2.gz RBLRAGNGBNTMDL-KRWDZBQOSA-N -1 3 387.400 0.975 20 0 GCADHM COC[C@](C)(CC(=O)OC)NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821680697 606710608 /nfs/dbraw/zinc/71/06/08/606710608.db2.gz RBLRAGNGBNTMDL-KRWDZBQOSA-N -1 3 387.400 0.975 20 0 GCADHM COC[C@@](C)(CC(=O)OC)NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821680698 606710880 /nfs/dbraw/zinc/71/08/80/606710880.db2.gz RBLRAGNGBNTMDL-QGZVFWFLSA-N -1 3 387.400 0.975 20 0 GCADHM COC[C@@](C)(CC(=O)OC)NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821680698 606710881 /nfs/dbraw/zinc/71/08/81/606710881.db2.gz RBLRAGNGBNTMDL-QGZVFWFLSA-N -1 3 387.400 0.975 20 0 GCADHM CC[C@@H](CCO)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820901380 606712458 /nfs/dbraw/zinc/71/24/58/606712458.db2.gz BXUFGVCUUKYNMS-ZDUSSCGKSA-N -1 3 388.476 0.938 20 0 GCADHM CC[C@@H](CCO)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820901380 606712460 /nfs/dbraw/zinc/71/24/60/606712460.db2.gz BXUFGVCUUKYNMS-ZDUSSCGKSA-N -1 3 388.476 0.938 20 0 GCADHM NC(=O)[C@H](NCc1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850230 606713084 /nfs/dbraw/zinc/71/30/84/606713084.db2.gz BUBFIWYDSQAARK-MRXNPFEDSA-N -1 3 375.396 0.764 20 0 GCADHM NC(=O)[C@H](NCc1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850230 606713085 /nfs/dbraw/zinc/71/30/85/606713085.db2.gz BUBFIWYDSQAARK-MRXNPFEDSA-N -1 3 375.396 0.764 20 0 GCADHM COC(=O)[C@H]1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC000821657266 606716798 /nfs/dbraw/zinc/71/67/98/606716798.db2.gz KYRLZMLXUYRJPA-RISCZKNCSA-N -1 3 379.442 0.381 20 0 GCADHM COC(=O)[C@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC000821657266 606716799 /nfs/dbraw/zinc/71/67/99/606716799.db2.gz KYRLZMLXUYRJPA-RISCZKNCSA-N -1 3 379.442 0.381 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821696597 606717242 /nfs/dbraw/zinc/71/72/42/606717242.db2.gz JAOVKLNSMGOTMW-UKRRQHHQSA-N -1 3 398.427 0.943 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821696597 606717243 /nfs/dbraw/zinc/71/72/43/606717243.db2.gz JAOVKLNSMGOTMW-UKRRQHHQSA-N -1 3 398.427 0.943 20 0 GCADHM CN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1=O ZINC000821627052 606719856 /nfs/dbraw/zinc/71/98/56/606719856.db2.gz KUROXVQRZIBIJV-UHFFFAOYSA-N -1 3 378.458 0.193 20 0 GCADHM CN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1=O ZINC000821627052 606719858 /nfs/dbraw/zinc/71/98/58/606719858.db2.gz KUROXVQRZIBIJV-UHFFFAOYSA-N -1 3 378.458 0.193 20 0 GCADHM Cc1oc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1S(N)(=O)=O ZINC000822541922 606720148 /nfs/dbraw/zinc/72/01/48/606720148.db2.gz RJFVVNJJEWEKIM-UHFFFAOYSA-N -1 3 376.398 0.688 20 0 GCADHM Cc1oc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1S(N)(=O)=O ZINC000822541922 606720149 /nfs/dbraw/zinc/72/01/49/606720149.db2.gz RJFVVNJJEWEKIM-UHFFFAOYSA-N -1 3 376.398 0.688 20 0 GCADHM O=S(=O)(CC[C@H]1CCCO1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823557870 606731955 /nfs/dbraw/zinc/73/19/55/606731955.db2.gz UJJPHNVMBOKSEI-CQSZACIVSA-N -1 3 393.473 0.283 20 0 GCADHM O=S(=O)(CC[C@H]1CCCO1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823557870 606731956 /nfs/dbraw/zinc/73/19/56/606731956.db2.gz UJJPHNVMBOKSEI-CQSZACIVSA-N -1 3 393.473 0.283 20 0 GCADHM O=C(NC[C@H](O)C(F)(F)F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823167223 606734508 /nfs/dbraw/zinc/73/45/08/606734508.db2.gz ZHKPKXLMSFRKOI-QMMMGPOBSA-N -1 3 378.698 0.498 20 0 GCADHM O=C(NC[C@H](O)C(F)(F)F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823167223 606734509 /nfs/dbraw/zinc/73/45/09/606734509.db2.gz ZHKPKXLMSFRKOI-QMMMGPOBSA-N -1 3 378.698 0.498 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000819803575 606735730 /nfs/dbraw/zinc/73/57/30/606735730.db2.gz NKJGOCIKEPFOBX-NSHDSACASA-N -1 3 391.819 0.586 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000819803575 606735732 /nfs/dbraw/zinc/73/57/32/606735732.db2.gz NKJGOCIKEPFOBX-NSHDSACASA-N -1 3 391.819 0.586 20 0 GCADHM CCCNC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821114471 606735857 /nfs/dbraw/zinc/73/58/57/606735857.db2.gz TURVSMWDQDSPEK-UHFFFAOYSA-N -1 3 379.808 0.491 20 0 GCADHM CCCNC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821114471 606735858 /nfs/dbraw/zinc/73/58/58/606735858.db2.gz TURVSMWDQDSPEK-UHFFFAOYSA-N -1 3 379.808 0.491 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820876892 606736127 /nfs/dbraw/zinc/73/61/27/606736127.db2.gz VTQBDWPLLJBASL-SECBINFHSA-N -1 3 393.835 0.880 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820876892 606736129 /nfs/dbraw/zinc/73/61/29/606736129.db2.gz VTQBDWPLLJBASL-SECBINFHSA-N -1 3 393.835 0.880 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000281981829 606737100 /nfs/dbraw/zinc/73/71/00/606737100.db2.gz PZFDFWLYEGXTQA-SECBINFHSA-N -1 3 399.864 0.602 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000281981829 606737102 /nfs/dbraw/zinc/73/71/02/606737102.db2.gz PZFDFWLYEGXTQA-SECBINFHSA-N -1 3 399.864 0.602 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820875881 606737635 /nfs/dbraw/zinc/73/76/35/606737635.db2.gz HWCKYURJRSSFFN-BDAKNGLRSA-N -1 3 393.835 0.878 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820875881 606737637 /nfs/dbraw/zinc/73/76/37/606737637.db2.gz HWCKYURJRSSFFN-BDAKNGLRSA-N -1 3 393.835 0.878 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820875882 606737773 /nfs/dbraw/zinc/73/77/73/606737773.db2.gz HWCKYURJRSSFFN-DTWKUNHWSA-N -1 3 393.835 0.878 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820875882 606737775 /nfs/dbraw/zinc/73/77/75/606737775.db2.gz HWCKYURJRSSFFN-DTWKUNHWSA-N -1 3 393.835 0.878 20 0 GCADHM O=C(NC[C@@H](O)COCC1CC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823166409 606738265 /nfs/dbraw/zinc/73/82/65/606738265.db2.gz KUDNSVUHKFWWBZ-LLVKDONJSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(NC[C@@H](O)COCC1CC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823166409 606738267 /nfs/dbraw/zinc/73/82/67/606738267.db2.gz KUDNSVUHKFWWBZ-LLVKDONJSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCN(CC(F)F)CC1 ZINC000823290311 606739017 /nfs/dbraw/zinc/73/90/17/606739017.db2.gz WBPOZOCNMMGVND-UHFFFAOYSA-N -1 3 399.789 0.868 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCN(CC(F)F)CC1 ZINC000823290311 606739019 /nfs/dbraw/zinc/73/90/19/606739019.db2.gz WBPOZOCNMMGVND-UHFFFAOYSA-N -1 3 399.789 0.868 20 0 GCADHM Cn1cc([C@@]2(C)CN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822673957 606739442 /nfs/dbraw/zinc/73/94/42/606739442.db2.gz HNBOVIDKRYJDSI-MRXNPFEDSA-N -1 3 389.441 0.537 20 0 GCADHM Cn1cc([C@@]2(C)CN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822673957 606739443 /nfs/dbraw/zinc/73/94/43/606739443.db2.gz HNBOVIDKRYJDSI-MRXNPFEDSA-N -1 3 389.441 0.537 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820643396 606740841 /nfs/dbraw/zinc/74/08/41/606740841.db2.gz VQUNRRAFMAPZMK-IBZIYZMPSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820643396 606740843 /nfs/dbraw/zinc/74/08/43/606740843.db2.gz VQUNRRAFMAPZMK-IBZIYZMPSA-N -1 3 396.860 0.827 20 0 GCADHM COCCOC[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821691715 606741363 /nfs/dbraw/zinc/74/13/63/606741363.db2.gz BGUKKJUAMJXAEQ-VIFPVBQESA-N -1 3 382.808 0.626 20 0 GCADHM COCCOC[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821691715 606741364 /nfs/dbraw/zinc/74/13/64/606741364.db2.gz BGUKKJUAMJXAEQ-VIFPVBQESA-N -1 3 382.808 0.626 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000799788182 606744191 /nfs/dbraw/zinc/74/41/91/606744191.db2.gz HUQMEVFMWVYACI-KWQFWETISA-N -1 3 385.833 0.950 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000799788182 606744192 /nfs/dbraw/zinc/74/41/92/606744192.db2.gz HUQMEVFMWVYACI-KWQFWETISA-N -1 3 385.833 0.950 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821509684 606744705 /nfs/dbraw/zinc/74/47/05/606744705.db2.gz LCQNGEWRZFXCLM-LLVKDONJSA-N -1 3 392.420 0.973 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821509684 606744707 /nfs/dbraw/zinc/74/47/07/606744707.db2.gz LCQNGEWRZFXCLM-LLVKDONJSA-N -1 3 392.420 0.973 20 0 GCADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820450438 606747146 /nfs/dbraw/zinc/74/71/46/606747146.db2.gz KTBVIYDPKXSLKL-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820450438 606747148 /nfs/dbraw/zinc/74/71/48/606747148.db2.gz KTBVIYDPKXSLKL-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000820451989 606748796 /nfs/dbraw/zinc/74/87/96/606748796.db2.gz YXMCJFDIJFNHTK-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000821286809 606748929 /nfs/dbraw/zinc/74/89/29/606748929.db2.gz WXZUIDPLHOJSJW-GFCCVEGCSA-N -1 3 376.396 0.609 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000821286809 606748931 /nfs/dbraw/zinc/74/89/31/606748931.db2.gz WXZUIDPLHOJSJW-GFCCVEGCSA-N -1 3 376.396 0.609 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821509448 606749396 /nfs/dbraw/zinc/74/93/96/606749396.db2.gz HFNUYXHLWVZZRY-GFCCVEGCSA-N -1 3 381.400 0.610 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821509448 606749398 /nfs/dbraw/zinc/74/93/98/606749398.db2.gz HFNUYXHLWVZZRY-GFCCVEGCSA-N -1 3 381.400 0.610 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821510034 606749727 /nfs/dbraw/zinc/74/97/27/606749727.db2.gz SZQSJKOTSFAQGF-LBPRGKRZSA-N -1 3 399.390 0.750 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821510034 606749728 /nfs/dbraw/zinc/74/97/28/606749728.db2.gz SZQSJKOTSFAQGF-LBPRGKRZSA-N -1 3 399.390 0.750 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCC(S(C)(=O)=O)CC1 ZINC000821702378 606753527 /nfs/dbraw/zinc/75/35/27/606753527.db2.gz RGPACPUIFMOJDV-UHFFFAOYSA-N -1 3 381.458 0.763 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCC(S(C)(=O)=O)CC1 ZINC000821702378 606753528 /nfs/dbraw/zinc/75/35/28/606753528.db2.gz RGPACPUIFMOJDV-UHFFFAOYSA-N -1 3 381.458 0.763 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821696911 606753551 /nfs/dbraw/zinc/75/35/51/606753551.db2.gz UDXFBYBUAQFFBS-CYBMUJFWSA-N -1 3 384.400 0.635 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821696911 606753553 /nfs/dbraw/zinc/75/35/53/606753553.db2.gz UDXFBYBUAQFFBS-CYBMUJFWSA-N -1 3 384.400 0.635 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000820519755 606753687 /nfs/dbraw/zinc/75/36/87/606753687.db2.gz WNFJLEHWMZKLID-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821696646 606753735 /nfs/dbraw/zinc/75/37/35/606753735.db2.gz KXLRQPMOBJRGMR-LBPRGKRZSA-N -1 3 384.400 0.635 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821696646 606753737 /nfs/dbraw/zinc/75/37/37/606753737.db2.gz KXLRQPMOBJRGMR-LBPRGKRZSA-N -1 3 384.400 0.635 20 0 GCADHM CCCNC(=O)CN(C)C(=O)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821114470 606755556 /nfs/dbraw/zinc/75/55/56/606755556.db2.gz SZGLBHLFXDYEPN-UHFFFAOYSA-N -1 3 396.354 0.286 20 0 GCADHM CCCNC(=O)CN(C)C(=O)COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821114470 606755557 /nfs/dbraw/zinc/75/55/57/606755557.db2.gz SZGLBHLFXDYEPN-UHFFFAOYSA-N -1 3 396.354 0.286 20 0 GCADHM Cn1cc([C@]2(C)CN(CC(=O)Nc3sccc3-c3nnn[n-]3)CCO2)cn1 ZINC000822668994 606757191 /nfs/dbraw/zinc/75/71/91/606757191.db2.gz FKUWVZQTCPBEGL-INIZCTEOSA-N -1 3 388.457 0.848 20 0 GCADHM Cn1cc([C@]2(C)CN(CC(=O)Nc3sccc3-c3nn[n-]n3)CCO2)cn1 ZINC000822668994 606757192 /nfs/dbraw/zinc/75/71/92/606757192.db2.gz FKUWVZQTCPBEGL-INIZCTEOSA-N -1 3 388.457 0.848 20 0 GCADHM Cn1ncc2c1nc(COC(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)[nH]c2=O ZINC000822708729 606757642 /nfs/dbraw/zinc/75/76/42/606757642.db2.gz BLOXFTXKMLYALZ-UHFFFAOYSA-N -1 3 388.294 0.884 20 0 GCADHM Cn1ncc2c1nc(COC(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)[nH]c2=O ZINC000822708729 606757644 /nfs/dbraw/zinc/75/76/44/606757644.db2.gz BLOXFTXKMLYALZ-UHFFFAOYSA-N -1 3 388.294 0.884 20 0 GCADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000821169752 606758166 /nfs/dbraw/zinc/75/81/66/606758166.db2.gz CQOGQRNTFIYCDL-LLVKDONJSA-N -1 3 398.514 0.993 20 0 GCADHM CCN(CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000821169752 606758167 /nfs/dbraw/zinc/75/81/67/606758167.db2.gz CQOGQRNTFIYCDL-LLVKDONJSA-N -1 3 398.514 0.993 20 0 GCADHM CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821326246 606758440 /nfs/dbraw/zinc/75/84/40/606758440.db2.gz VTUHKNQCJSFSLM-QMMMGPOBSA-N -1 3 380.792 0.917 20 0 GCADHM CCOC(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821326246 606758441 /nfs/dbraw/zinc/75/84/41/606758441.db2.gz VTUHKNQCJSFSLM-QMMMGPOBSA-N -1 3 380.792 0.917 20 0 GCADHM C[C@@H](OC(=O)c1cc(C(N)=O)cn1C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820508790 606759972 /nfs/dbraw/zinc/75/99/72/606759972.db2.gz XRLMNHQOHVOYFY-SECBINFHSA-N -1 3 383.368 0.488 20 0 GCADHM C[C@@H](OC(=O)c1cc(C(N)=O)cn1C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820508790 606759974 /nfs/dbraw/zinc/75/99/74/606759974.db2.gz XRLMNHQOHVOYFY-SECBINFHSA-N -1 3 383.368 0.488 20 0 GCADHM CCNC(=O)c1ccc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC000821293701 606761648 /nfs/dbraw/zinc/76/16/48/606761648.db2.gz NYXTXOGSULGCGP-UHFFFAOYSA-N -1 3 380.416 0.128 20 0 GCADHM CCNC(=O)c1ccc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC000821293701 606761650 /nfs/dbraw/zinc/76/16/50/606761650.db2.gz NYXTXOGSULGCGP-UHFFFAOYSA-N -1 3 380.416 0.128 20 0 GCADHM O=C(O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)[C@@H]1CCNC(=O)C1 ZINC000823521098 606762313 /nfs/dbraw/zinc/76/23/13/606762313.db2.gz PZAOPUMRPPCZRR-SCZZXKLOSA-N -1 3 376.398 0.103 20 0 GCADHM O=C(O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)[C@@H]1CCNC(=O)C1 ZINC000823521098 606762315 /nfs/dbraw/zinc/76/23/15/606762315.db2.gz PZAOPUMRPPCZRR-SCZZXKLOSA-N -1 3 376.398 0.103 20 0 GCADHM C[C@@H](OC(=O)[C@H]1CCNC(=O)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820488937 606762381 /nfs/dbraw/zinc/76/23/81/606762381.db2.gz XBJVUVAAUATKLG-BDAKNGLRSA-N -1 3 392.803 0.917 20 0 GCADHM C[C@@H](OC(=O)[C@H]1CCNC(=O)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820488937 606762382 /nfs/dbraw/zinc/76/23/82/606762382.db2.gz XBJVUVAAUATKLG-BDAKNGLRSA-N -1 3 392.803 0.917 20 0 GCADHM O=S(=O)(CCN1CCO[C@H]([C@@H]2CCCO2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562942 606762657 /nfs/dbraw/zinc/76/26/57/606762657.db2.gz XNVIQANDJGKMCS-HOTGVXAUSA-N -1 3 393.469 0.520 20 0 GCADHM O=S(=O)(CCN1CCO[C@H]([C@@H]2CCCO2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562942 606762659 /nfs/dbraw/zinc/76/26/59/606762659.db2.gz XNVIQANDJGKMCS-HOTGVXAUSA-N -1 3 393.469 0.520 20 0 GCADHM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C[C@@H]21 ZINC000821628744 606762978 /nfs/dbraw/zinc/76/29/78/606762978.db2.gz PCVDTMAAAJWSNR-QWHCGFSZSA-N -1 3 391.819 0.000 20 0 GCADHM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C[C@@H]21 ZINC000821628744 606762980 /nfs/dbraw/zinc/76/29/80/606762980.db2.gz PCVDTMAAAJWSNR-QWHCGFSZSA-N -1 3 391.819 0.000 20 0 GCADHM O=C1C[C@]2(CCOC2)CN1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823525501 606768440 /nfs/dbraw/zinc/76/84/40/606768440.db2.gz PDPVCJXKDLZSJI-LJQANCHMSA-N -1 3 383.456 0.585 20 0 GCADHM O=C1C[C@]2(CCOC2)CN1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823525501 606768442 /nfs/dbraw/zinc/76/84/42/606768442.db2.gz PDPVCJXKDLZSJI-LJQANCHMSA-N -1 3 383.456 0.585 20 0 GCADHM O=C1[C@H](N2CCO[C@@H]([C@H]3CCCO3)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823505212 606771242 /nfs/dbraw/zinc/77/12/42/606771242.db2.gz ZELLKVRDNOOUIV-MGPQQGTHSA-N -1 3 390.469 0.913 20 0 GCADHM O=C1[C@H](N2CCO[C@@H]([C@H]3CCCO3)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823505212 606771244 /nfs/dbraw/zinc/77/12/44/606771244.db2.gz ZELLKVRDNOOUIV-MGPQQGTHSA-N -1 3 390.469 0.913 20 0 GCADHM O=C(NCCn1ncnn1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823229254 606774387 /nfs/dbraw/zinc/77/43/87/606774387.db2.gz JIBZWRTUYGJZOF-UHFFFAOYSA-N -1 3 381.356 0.455 20 0 GCADHM O=C(NCCn1ncnn1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823229254 606774388 /nfs/dbraw/zinc/77/43/88/606774388.db2.gz JIBZWRTUYGJZOF-UHFFFAOYSA-N -1 3 381.356 0.455 20 0 GCADHM CC1(C)CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCS1(=O)=O ZINC000820601430 606775251 /nfs/dbraw/zinc/77/52/51/606775251.db2.gz LBHDCYHHKIBISV-UHFFFAOYSA-N -1 3 389.441 0.926 20 0 GCADHM CC1(C)CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCS1(=O)=O ZINC000820601430 606775253 /nfs/dbraw/zinc/77/52/53/606775253.db2.gz LBHDCYHHKIBISV-UHFFFAOYSA-N -1 3 389.441 0.926 20 0 GCADHM CC1(C)CN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820601258 606775590 /nfs/dbraw/zinc/77/55/90/606775590.db2.gz GPGBHEMEMDVZNB-CYBMUJFWSA-N -1 3 381.458 0.115 20 0 GCADHM CC1(C)CN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CCS1(=O)=O ZINC000820601652 606775618 /nfs/dbraw/zinc/77/56/18/606775618.db2.gz QUWIETUDYMJIDA-LLVKDONJSA-N -1 3 396.498 0.543 20 0 GCADHM CC1(C)CN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CCS1(=O)=O ZINC000820601652 606775619 /nfs/dbraw/zinc/77/56/19/606775619.db2.gz QUWIETUDYMJIDA-LLVKDONJSA-N -1 3 396.498 0.543 20 0 GCADHM O=C(NCCn1ncnn1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823229226 606775710 /nfs/dbraw/zinc/77/57/10/606775710.db2.gz HQSKAMHSTGJXAJ-UHFFFAOYSA-N -1 3 391.395 0.862 20 0 GCADHM O=C(NCCn1ncnn1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823229226 606775711 /nfs/dbraw/zinc/77/57/11/606775711.db2.gz HQSKAMHSTGJXAJ-UHFFFAOYSA-N -1 3 391.395 0.862 20 0 GCADHM COc1ncc(N[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1C(N)=O ZINC000821920799 606777084 /nfs/dbraw/zinc/77/70/84/606777084.db2.gz YDDAFCURRLEHEI-VIFPVBQESA-N -1 3 382.384 0.808 20 0 GCADHM COc1ncc(N[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C(N)=O ZINC000821920799 606777085 /nfs/dbraw/zinc/77/70/85/606777085.db2.gz YDDAFCURRLEHEI-VIFPVBQESA-N -1 3 382.384 0.808 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822851758 606779173 /nfs/dbraw/zinc/77/91/73/606779173.db2.gz ZVOZNCQGMWPHCO-HOTGVXAUSA-N -1 3 383.456 0.774 20 0 GCADHM NC(=O)[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822851762 606779448 /nfs/dbraw/zinc/77/94/48/606779448.db2.gz ZVOZNCQGMWPHCO-JKSUJKDBSA-N -1 3 383.456 0.774 20 0 GCADHM CCN(C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000821154968 606780144 /nfs/dbraw/zinc/78/01/44/606780144.db2.gz TZYJRRUPWVEDCW-NSHDSACASA-N -1 3 399.860 0.935 20 0 GCADHM CCN(C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000821154968 606780145 /nfs/dbraw/zinc/78/01/45/606780145.db2.gz TZYJRRUPWVEDCW-NSHDSACASA-N -1 3 399.860 0.935 20 0 GCADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821919569 606794868 /nfs/dbraw/zinc/79/48/68/606794868.db2.gz CZDNUSAPQPHPSH-AFNCTOJWSA-N -1 3 379.467 0.826 20 0 GCADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821919569 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GCADHM O=C(N[C@H]1CC[S@](=O)C1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823154457 606811469 /nfs/dbraw/zinc/81/14/69/606811469.db2.gz BSXFANLCVZORCU-CEXHIMGSSA-N -1 3 389.485 0.609 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823162673 606813145 /nfs/dbraw/zinc/81/31/45/606813145.db2.gz ZEDSTOGNFGUOQT-HUUCEWRRSA-N -1 3 386.412 0.003 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823162673 606813148 /nfs/dbraw/zinc/81/31/48/606813148.db2.gz ZEDSTOGNFGUOQT-HUUCEWRRSA-N -1 3 386.412 0.003 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000820836601 606816531 /nfs/dbraw/zinc/81/65/31/606816531.db2.gz CGWYPDFKGCDVLR-JTQLQIEISA-N -1 3 391.819 0.586 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000820836601 606816532 /nfs/dbraw/zinc/81/65/32/606816532.db2.gz CGWYPDFKGCDVLR-JTQLQIEISA-N -1 3 391.819 0.586 20 0 GCADHM O=C(NC[C@@]1(CCO)CCOC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823166729 606817861 /nfs/dbraw/zinc/81/78/61/606817861.db2.gz OBEXSPYHLUXOEZ-MRXNPFEDSA-N -1 3 394.819 0.364 20 0 GCADHM O=C(NC[C@@]1(CCO)CCOC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823166729 606817863 /nfs/dbraw/zinc/81/78/63/606817863.db2.gz OBEXSPYHLUXOEZ-MRXNPFEDSA-N -1 3 394.819 0.364 20 0 GCADHM O=C(NC[C@@]1(CCO)CCOC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823166417 606819449 /nfs/dbraw/zinc/81/94/49/606819449.db2.gz KWIKVJSFNKSULD-QFBILLFUSA-N -1 3 386.456 0.741 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821660071 606822126 /nfs/dbraw/zinc/82/21/26/606822126.db2.gz FCPJTTAVJIDFHY-SECBINFHSA-N -1 3 382.471 0.847 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821660071 606822127 /nfs/dbraw/zinc/82/21/27/606822127.db2.gz FCPJTTAVJIDFHY-SECBINFHSA-N -1 3 382.471 0.847 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)NCCCN(C)S(C)(=O)=O ZINC000822130248 606825471 /nfs/dbraw/zinc/82/54/71/606825471.db2.gz RRNXVTRXSXQXPV-UHFFFAOYSA-N -1 3 396.473 0.260 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCC(=O)N[C@H](C)C(=O)N(C)C ZINC000820151884 606826311 /nfs/dbraw/zinc/82/63/11/606826311.db2.gz PZIZCLQSUSLATH-LLVKDONJSA-N -1 3 375.433 0.659 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@H](C)C(=O)N(C)C ZINC000820151884 606826312 /nfs/dbraw/zinc/82/63/12/606826312.db2.gz PZIZCLQSUSLATH-LLVKDONJSA-N -1 3 375.433 0.659 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000820501754 606831310 /nfs/dbraw/zinc/83/13/10/606831310.db2.gz KSWYBESKZIAVNU-NXEZZACHSA-N -1 3 386.372 0.082 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000820501754 606831312 /nfs/dbraw/zinc/83/13/12/606831312.db2.gz KSWYBESKZIAVNU-NXEZZACHSA-N -1 3 386.372 0.082 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)nn1 ZINC000820481225 606832666 /nfs/dbraw/zinc/83/26/66/606832666.db2.gz UCCGPGBXYYHGLT-CYBMUJFWSA-N -1 3 397.443 0.250 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)nn1 ZINC000820481225 606832668 /nfs/dbraw/zinc/83/26/68/606832668.db2.gz UCCGPGBXYYHGLT-CYBMUJFWSA-N -1 3 397.443 0.250 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CC[C@H](CCO)C1 ZINC000823154507 606833822 /nfs/dbraw/zinc/83/38/22/606833822.db2.gz DKRUVYTYPTUZTB-CYBMUJFWSA-N -1 3 386.460 0.644 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CC[C@H](CCO)C1 ZINC000823154507 606833824 /nfs/dbraw/zinc/83/38/24/606833824.db2.gz DKRUVYTYPTUZTB-CYBMUJFWSA-N -1 3 386.460 0.644 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821932013 606835067 /nfs/dbraw/zinc/83/50/67/606835067.db2.gz INGTWKZPVHAESY-TVQRCGJNSA-N -1 3 397.436 0.845 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821932013 606835069 /nfs/dbraw/zinc/83/50/69/606835069.db2.gz INGTWKZPVHAESY-TVQRCGJNSA-N -1 3 397.436 0.845 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823191777 606838101 /nfs/dbraw/zinc/83/81/01/606838101.db2.gz OOTHDPHBZTUKDP-NSHDSACASA-N -1 3 378.364 0.256 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823191777 606838103 /nfs/dbraw/zinc/83/81/03/606838103.db2.gz OOTHDPHBZTUKDP-NSHDSACASA-N -1 3 378.364 0.256 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)Nc1cnn(CCO)c1 ZINC000821400826 606838162 /nfs/dbraw/zinc/83/81/62/606838162.db2.gz QBLDGORRQCLONT-UHFFFAOYSA-N -1 3 386.372 0.031 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820736401 606838599 /nfs/dbraw/zinc/83/85/99/606838599.db2.gz ZBFUBRGMFRFLEU-NHYWBVRUSA-N -1 3 397.439 0.568 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820736401 606838600 /nfs/dbraw/zinc/83/86/00/606838600.db2.gz ZBFUBRGMFRFLEU-NHYWBVRUSA-N -1 3 397.439 0.568 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(CCCOc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822674289 606839950 /nfs/dbraw/zinc/83/99/50/606839950.db2.gz PVHAKYUOSXJUPU-HNNXBMFYSA-N -1 3 395.423 0.987 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(CCCOc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822674289 606839953 /nfs/dbraw/zinc/83/99/53/606839953.db2.gz PVHAKYUOSXJUPU-HNNXBMFYSA-N -1 3 395.423 0.987 20 0 GCADHM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820010769 606840581 /nfs/dbraw/zinc/84/05/81/606840581.db2.gz DNYCAGCWRXZKJC-UHFFFAOYSA-N -1 3 382.421 0.495 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000821690737 606842756 /nfs/dbraw/zinc/84/27/56/606842756.db2.gz XUWOVKYMNIBDDK-GFCCVEGCSA-N -1 3 397.457 0.454 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000821690737 606842757 /nfs/dbraw/zinc/84/27/57/606842757.db2.gz XUWOVKYMNIBDDK-GFCCVEGCSA-N -1 3 397.457 0.454 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000820295173 606843494 /nfs/dbraw/zinc/84/34/94/606843494.db2.gz ZVJTVCXFNWWERV-QMMMGPOBSA-N -1 3 377.423 0.059 20 0 GCADHM O=C1CCCN1C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823530455 606844640 /nfs/dbraw/zinc/84/46/40/606844640.db2.gz KKZFBRZGLCTJIA-UHFFFAOYSA-N -1 3 394.432 0.781 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000823530118 606844684 /nfs/dbraw/zinc/84/46/84/606844684.db2.gz DGBVMDQJJUFXEF-LBPRGKRZSA-N -1 3 394.432 0.781 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CC[C@H](N2CCOCC2)C1 ZINC000823601179 606845997 /nfs/dbraw/zinc/84/59/97/606845997.db2.gz VBYBXLLZNDBBEZ-LBPRGKRZSA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823606262 606847517 /nfs/dbraw/zinc/84/75/17/606847517.db2.gz HSTMNBZZVVAGMI-STQMWFEESA-N -1 3 383.405 0.574 20 0 GCADHM CCn1ccnc1CN1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821566882 606859126 /nfs/dbraw/zinc/85/91/26/606859126.db2.gz YOGAMKKHBIQZPH-QGZVFWFLSA-N -1 3 382.472 0.934 20 0 GCADHM COCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696459 606862998 /nfs/dbraw/zinc/86/29/98/606862998.db2.gz DIFQDMLECAICDP-CZUORRHYSA-N -1 3 398.427 0.423 20 0 GCADHM COCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696459 606862999 /nfs/dbraw/zinc/86/29/99/606862999.db2.gz DIFQDMLECAICDP-CZUORRHYSA-N -1 3 398.427 0.423 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)CCN2C1=O ZINC000821240792 606864097 /nfs/dbraw/zinc/86/40/97/606864097.db2.gz JDZWHJHIZWEFIH-RISCZKNCSA-N -1 3 398.427 0.606 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)CCN2C1=O ZINC000821240792 606864098 /nfs/dbraw/zinc/86/40/98/606864098.db2.gz JDZWHJHIZWEFIH-RISCZKNCSA-N -1 3 398.427 0.606 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000823487556 606864677 /nfs/dbraw/zinc/86/46/77/606864677.db2.gz FANOOPQXLCBNEL-UHFFFAOYSA-N -1 3 394.374 0.406 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000823487556 606864678 /nfs/dbraw/zinc/86/46/78/606864678.db2.gz FANOOPQXLCBNEL-UHFFFAOYSA-N -1 3 394.374 0.406 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823488917 606864731 /nfs/dbraw/zinc/86/47/31/606864731.db2.gz YLGKYUCEAPCWKF-UHFFFAOYSA-N -1 3 390.411 0.657 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823488917 606864732 /nfs/dbraw/zinc/86/47/32/606864732.db2.gz YLGKYUCEAPCWKF-UHFFFAOYSA-N -1 3 390.411 0.657 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000823488865 606865071 /nfs/dbraw/zinc/86/50/71/606865071.db2.gz WMRDVWGXYCRIHQ-UHFFFAOYSA-N -1 3 394.374 0.406 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H](C)C1 ZINC000819797246 606873372 /nfs/dbraw/zinc/87/33/72/606873372.db2.gz XAUWQIYHOGWZFA-VIFPVBQESA-N -1 3 384.849 0.761 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H](C)C1 ZINC000819797246 606873374 /nfs/dbraw/zinc/87/33/74/606873374.db2.gz XAUWQIYHOGWZFA-VIFPVBQESA-N -1 3 384.849 0.761 20 0 GCADHM C[C@@H](CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)CS(C)(=O)=O ZINC000820262081 606878485 /nfs/dbraw/zinc/87/84/85/606878485.db2.gz RPICPQOGZZUGRY-LBPRGKRZSA-N -1 3 382.465 0.809 20 0 GCADHM C[C@@H](CN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)CS(C)(=O)=O ZINC000820262081 606878486 /nfs/dbraw/zinc/87/84/86/606878486.db2.gz RPICPQOGZZUGRY-LBPRGKRZSA-N -1 3 382.465 0.809 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000821401307 606882869 /nfs/dbraw/zinc/88/28/69/606882869.db2.gz VPAHMUYDUBIFBG-BJHJDKERSA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000821401307 606882871 /nfs/dbraw/zinc/88/28/71/606882871.db2.gz VPAHMUYDUBIFBG-BJHJDKERSA-N -1 3 388.428 0.871 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821575802 606884641 /nfs/dbraw/zinc/88/46/41/606884641.db2.gz PMRCFUIWGHJGMM-NSHDSACASA-N -1 3 386.384 0.386 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821575802 606884643 /nfs/dbraw/zinc/88/46/43/606884643.db2.gz PMRCFUIWGHJGMM-NSHDSACASA-N -1 3 386.384 0.386 20 0 GCADHM CN(CC(=O)N1CCCC1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821592321 606884783 /nfs/dbraw/zinc/88/47/83/606884783.db2.gz AANBMNQTKUWASO-UHFFFAOYSA-N -1 3 386.384 0.388 20 0 GCADHM CN(CC(=O)N1CCCC1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821592321 606884785 /nfs/dbraw/zinc/88/47/85/606884785.db2.gz AANBMNQTKUWASO-UHFFFAOYSA-N -1 3 386.384 0.388 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820037327 606889883 /nfs/dbraw/zinc/88/98/83/606889883.db2.gz CIPNJDLBLOHOCK-NSHDSACASA-N -1 3 386.384 0.290 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820037327 606889885 /nfs/dbraw/zinc/88/98/85/606889885.db2.gz CIPNJDLBLOHOCK-NSHDSACASA-N -1 3 386.384 0.290 20 0 GCADHM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000822864966 606894169 /nfs/dbraw/zinc/89/41/69/606894169.db2.gz QVUFDKBNBCWJMX-MRVPVSSYSA-N -1 3 386.384 0.421 20 0 GCADHM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822864966 606894171 /nfs/dbraw/zinc/89/41/71/606894171.db2.gz QVUFDKBNBCWJMX-MRVPVSSYSA-N -1 3 386.384 0.421 20 0 GCADHM Nc1nc(N)nc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)n1 ZINC000822907284 606894370 /nfs/dbraw/zinc/89/43/70/606894370.db2.gz GEGMHEGMDHGFCA-UHFFFAOYSA-N -1 3 381.278 0.592 20 0 GCADHM Nc1nc(N)nc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)n1 ZINC000822907284 606894371 /nfs/dbraw/zinc/89/43/71/606894371.db2.gz GEGMHEGMDHGFCA-UHFFFAOYSA-N -1 3 381.278 0.592 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2ccncc2N1 ZINC000823535544 606894927 /nfs/dbraw/zinc/89/49/27/606894927.db2.gz AQZNIPDUEAIUDG-UHFFFAOYSA-N -1 3 393.335 0.687 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2ccncc2N1 ZINC000823535544 606894929 /nfs/dbraw/zinc/89/49/29/606894929.db2.gz AQZNIPDUEAIUDG-UHFFFAOYSA-N -1 3 393.335 0.687 20 0 GCADHM CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821633939 606901164 /nfs/dbraw/zinc/90/11/64/606901164.db2.gz LECFNAHPHKFJFU-ZCFIWIBFSA-N -1 3 386.290 0.886 20 0 GCADHM CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821633939 606901165 /nfs/dbraw/zinc/90/11/65/606901165.db2.gz LECFNAHPHKFJFU-ZCFIWIBFSA-N -1 3 386.290 0.886 20 0 GCADHM O=C(COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)N1CCNC(=O)C1 ZINC000823536152 606901874 /nfs/dbraw/zinc/90/18/74/606901874.db2.gz UHUBJUHEKCLDKC-UHFFFAOYSA-N -1 3 398.301 0.001 20 0 GCADHM O=C(COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)N1CCNC(=O)C1 ZINC000823536152 606901876 /nfs/dbraw/zinc/90/18/76/606901876.db2.gz UHUBJUHEKCLDKC-UHFFFAOYSA-N -1 3 398.301 0.001 20 0 GCADHM CCCN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821088717 606902789 /nfs/dbraw/zinc/90/27/89/606902789.db2.gz TXIOVNKMXUCTEJ-AWEZNQCLSA-N -1 3 378.458 0.704 20 0 GCADHM CCCN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821088717 606902790 /nfs/dbraw/zinc/90/27/90/606902790.db2.gz TXIOVNKMXUCTEJ-AWEZNQCLSA-N -1 3 378.458 0.704 20 0 GCADHM O=C([C@H]1CCCc2n[nH]cc21)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822917161 606903415 /nfs/dbraw/zinc/90/34/15/606903415.db2.gz OVOKMXPDJMAXSX-LBPRGKRZSA-N -1 3 379.428 0.754 20 0 GCADHM O=C([C@H]1CCCc2n[nH]cc21)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822917161 606903416 /nfs/dbraw/zinc/90/34/16/606903416.db2.gz OVOKMXPDJMAXSX-LBPRGKRZSA-N -1 3 379.428 0.754 20 0 GCADHM O=C(COC(=O)[C@H]1CCCc2n[nH]cc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823018668 606903479 /nfs/dbraw/zinc/90/34/79/606903479.db2.gz VVVWWBTYLXBYHR-ZDUSSCGKSA-N -1 3 381.396 0.869 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CCN2C1=O ZINC000821241311 606908146 /nfs/dbraw/zinc/90/81/46/606908146.db2.gz LUMGHYAPAPZJQE-GFCCVEGCSA-N -1 3 388.363 0.506 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CCN2C1=O ZINC000821241311 606908148 /nfs/dbraw/zinc/90/81/48/606908148.db2.gz LUMGHYAPAPZJQE-GFCCVEGCSA-N -1 3 388.363 0.506 20 0 GCADHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)NC2CCCC2)C1=O ZINC000820628729 606913963 /nfs/dbraw/zinc/91/39/63/606913963.db2.gz MKEGZWIEFRQVOY-GOSISDBHSA-N -1 3 383.412 0.693 20 0 GCADHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)NC2CCCC2)C1=O ZINC000820628729 606913964 /nfs/dbraw/zinc/91/39/64/606913964.db2.gz MKEGZWIEFRQVOY-GOSISDBHSA-N -1 3 383.412 0.693 20 0 GCADHM CCc1nnc(N2CCC[C@H](NS(C)(=O)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821523529 606920797 /nfs/dbraw/zinc/92/07/97/606920797.db2.gz XQTMMVIPNNMHHO-JTQLQIEISA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCC[C@H](NS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821523529 606920798 /nfs/dbraw/zinc/92/07/98/606920798.db2.gz XQTMMVIPNNMHHO-JTQLQIEISA-N -1 3 380.478 0.300 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(C[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000822899816 606927060 /nfs/dbraw/zinc/92/70/60/606927060.db2.gz UKERZXQPNKEIKV-MRXNPFEDSA-N -1 3 386.437 0.610 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(C[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822899816 606927062 /nfs/dbraw/zinc/92/70/62/606927062.db2.gz UKERZXQPNKEIKV-MRXNPFEDSA-N -1 3 386.437 0.610 20 0 GCADHM CC(C)(C)OC(=O)NCc1nnnn1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000819940074 606930770 /nfs/dbraw/zinc/93/07/70/606930770.db2.gz OWHINHOVQDSOEQ-UHFFFAOYSA-N -1 3 387.404 0.957 20 0 GCADHM CC(C)(C)OC(=O)NCc1nnnn1CCOc1cccc(-c2nn[n-]n2)c1 ZINC000819940074 606930772 /nfs/dbraw/zinc/93/07/72/606930772.db2.gz OWHINHOVQDSOEQ-UHFFFAOYSA-N -1 3 387.404 0.957 20 0 GCADHM O=C1OC[C@@H]2CN([C@@H]3CCN(c4sccc4-c4nnn[n-]4)C3=O)CCN12 ZINC000823504187 606936186 /nfs/dbraw/zinc/93/61/86/606936186.db2.gz NCKMHLHBAPIUDV-GXSJLCMTSA-N -1 3 375.414 0.170 20 0 GCADHM O=C1OC[C@@H]2CN([C@@H]3CCN(c4sccc4-c4nn[n-]n4)C3=O)CCN12 ZINC000823504187 606936187 /nfs/dbraw/zinc/93/61/87/606936187.db2.gz NCKMHLHBAPIUDV-GXSJLCMTSA-N -1 3 375.414 0.170 20 0 GCADHM CCc1nnc(N2CCc3nn(CC)c(=O)cc3C2)c(-c2nnn[n-]2)c1CC ZINC000821528913 606940101 /nfs/dbraw/zinc/94/01/01/606940101.db2.gz SPZRQMUWQRPNLU-UHFFFAOYSA-N -1 3 381.444 0.921 20 0 GCADHM CCc1nnc(N2CCc3nn(CC)c(=O)cc3C2)c(-c2nn[n-]n2)c1CC ZINC000821528913 606940102 /nfs/dbraw/zinc/94/01/02/606940102.db2.gz SPZRQMUWQRPNLU-UHFFFAOYSA-N -1 3 381.444 0.921 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c(-c2nnn[n-]2)c1CC ZINC000821536162 606940595 /nfs/dbraw/zinc/94/05/95/606940595.db2.gz SCWZFROFVFPKAZ-VVVCHXIZSA-N -1 3 385.432 0.572 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c(-c2nn[n-]n2)c1CC ZINC000821536162 606940596 /nfs/dbraw/zinc/94/05/96/606940596.db2.gz SCWZFROFVFPKAZ-VVVCHXIZSA-N -1 3 385.432 0.572 20 0 GCADHM CCc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000821520985 606941424 /nfs/dbraw/zinc/94/14/24/606941424.db2.gz CKJMAFAZUWCMEW-SFHVURJKSA-N -1 3 399.459 0.596 20 0 GCADHM CCc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000821520985 606941425 /nfs/dbraw/zinc/94/14/25/606941425.db2.gz CKJMAFAZUWCMEW-SFHVURJKSA-N -1 3 399.459 0.596 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000820032708 606942880 /nfs/dbraw/zinc/94/28/80/606942880.db2.gz PRRYYWKGJNZWQV-WFASDCNBSA-N -1 3 386.412 0.933 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000820032708 606942882 /nfs/dbraw/zinc/94/28/82/606942882.db2.gz PRRYYWKGJNZWQV-WFASDCNBSA-N -1 3 386.412 0.933 20 0 GCADHM Nc1nsc(N2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000822912214 606953552 /nfs/dbraw/zinc/95/35/52/606953552.db2.gz RJSOIGKSICFVQE-WAYWQWQTSA-N -1 3 383.441 0.662 20 0 GCADHM Nc1nsc(N2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000822912214 606953554 /nfs/dbraw/zinc/95/35/54/606953554.db2.gz RJSOIGKSICFVQE-WAYWQWQTSA-N -1 3 383.441 0.662 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)NCCC(=O)NC(N)=O)c1-c1nnn[n-]1 ZINC000821988782 606953871 /nfs/dbraw/zinc/95/38/71/606953871.db2.gz GZWVXKWQEWXVPB-UHFFFAOYSA-N -1 3 390.429 0.176 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OC[C@H]2C1 ZINC000822916789 606954063 /nfs/dbraw/zinc/95/40/63/606954063.db2.gz DFLAKDMWEZJCEQ-CABCVRRESA-N -1 3 383.412 0.499 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000822614339 606956088 /nfs/dbraw/zinc/95/60/88/606956088.db2.gz MBHSLGQWBPNJMQ-CHWSQXEVSA-N -1 3 375.437 0.365 20 0 GCADHM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000822614339 606956090 /nfs/dbraw/zinc/95/60/90/606956090.db2.gz MBHSLGQWBPNJMQ-CHWSQXEVSA-N -1 3 375.437 0.365 20 0 GCADHM CCN(CC)C(=O)CN1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821175897 606961473 /nfs/dbraw/zinc/96/14/73/606961473.db2.gz YQVAHDGRSRPABX-UHFFFAOYSA-N -1 3 375.452 0.992 20 0 GCADHM CCN(CC)C(=O)CN1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821175897 606961475 /nfs/dbraw/zinc/96/14/75/606961475.db2.gz YQVAHDGRSRPABX-UHFFFAOYSA-N -1 3 375.452 0.992 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000823308493 606965525 /nfs/dbraw/zinc/96/55/25/606965525.db2.gz BVWUKGQRXXDVRC-HOTGVXAUSA-N -1 3 399.455 0.565 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823331537 606967647 /nfs/dbraw/zinc/96/76/47/606967647.db2.gz FDHYTEAZPCITGA-VIFPVBQESA-N -1 3 391.775 0.122 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823331537 606967649 /nfs/dbraw/zinc/96/76/49/606967649.db2.gz FDHYTEAZPCITGA-VIFPVBQESA-N -1 3 391.775 0.122 20 0 GCADHM O=C(NCc1ccc(F)cn1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823252994 606968536 /nfs/dbraw/zinc/96/85/36/606968536.db2.gz DAIHXTUMVOOWGZ-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1ccc(F)cn1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823252994 606968537 /nfs/dbraw/zinc/96/85/37/606968537.db2.gz DAIHXTUMVOOWGZ-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM c1cnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)c(-c2nnn[n-]2)c1 ZINC000823810315 606970668 /nfs/dbraw/zinc/97/06/68/606970668.db2.gz VOGMRQRNKGCUFV-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM c1cnc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)c(-c2nn[n-]n2)c1 ZINC000823810315 606970670 /nfs/dbraw/zinc/97/06/70/606970670.db2.gz VOGMRQRNKGCUFV-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCCCC1 ZINC000820438376 606974479 /nfs/dbraw/zinc/97/44/79/606974479.db2.gz NYQAVHBJACGOOD-GFCCVEGCSA-N -1 3 378.458 0.936 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCCCC1 ZINC000820438376 606974480 /nfs/dbraw/zinc/97/44/80/606974480.db2.gz NYQAVHBJACGOOD-GFCCVEGCSA-N -1 3 378.458 0.936 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cccnc1 ZINC000820450566 606976378 /nfs/dbraw/zinc/97/63/78/606976378.db2.gz MOPYTVVTZOXIHR-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cccnc1 ZINC000820450566 606976379 /nfs/dbraw/zinc/97/63/79/606976379.db2.gz MOPYTVVTZOXIHR-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000820734391 606977176 /nfs/dbraw/zinc/97/71/76/606977176.db2.gz MLUUJWMWEIHUNY-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000820734391 606977178 /nfs/dbraw/zinc/97/71/78/606977178.db2.gz MLUUJWMWEIHUNY-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C)CC1 ZINC000820717947 606978549 /nfs/dbraw/zinc/97/85/49/606978549.db2.gz ZDIUBHBPLGBAJC-GFCCVEGCSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)CC1 ZINC000820717947 606978550 /nfs/dbraw/zinc/97/85/50/606978550.db2.gz ZDIUBHBPLGBAJC-GFCCVEGCSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)OCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820142278 606979698 /nfs/dbraw/zinc/97/96/98/606979698.db2.gz JBZBCXSHHYTCPX-LBPRGKRZSA-N -1 3 396.473 0.465 20 0 GCADHM CC(C)OCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820142278 606979699 /nfs/dbraw/zinc/97/96/99/606979699.db2.gz JBZBCXSHHYTCPX-LBPRGKRZSA-N -1 3 396.473 0.465 20 0 GCADHM CC(C)OCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820142310 606979940 /nfs/dbraw/zinc/97/99/40/606979940.db2.gz JZUDJIDHJULHKI-GFCCVEGCSA-N -1 3 396.473 0.465 20 0 GCADHM CC(C)OCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820142310 606979942 /nfs/dbraw/zinc/97/99/42/606979942.db2.gz JZUDJIDHJULHKI-GFCCVEGCSA-N -1 3 396.473 0.465 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccco1 ZINC000820438794 606981598 /nfs/dbraw/zinc/98/15/98/606981598.db2.gz WTHJBOQETJJBRZ-LLVKDONJSA-N -1 3 390.425 0.785 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccco1 ZINC000820438794 606981599 /nfs/dbraw/zinc/98/15/99/606981599.db2.gz WTHJBOQETJJBRZ-LLVKDONJSA-N -1 3 390.425 0.785 20 0 GCADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000821699658 606983017 /nfs/dbraw/zinc/98/30/17/606983017.db2.gz YGAXCMBDTGAPRD-UHFFFAOYSA-N -1 3 398.217 0.875 20 0 GCADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OCC(=O)N1CCOCC1 ZINC000821699658 606983019 /nfs/dbraw/zinc/98/30/19/606983019.db2.gz YGAXCMBDTGAPRD-UHFFFAOYSA-N -1 3 398.217 0.875 20 0 GCADHM COCCc1noc(CN(C)CC(=O)Nc2sccc2-c2nnn[n-]2)n1 ZINC000821694230 606983804 /nfs/dbraw/zinc/98/38/04/606983804.db2.gz DCWLPBHRVFNNNT-UHFFFAOYSA-N -1 3 378.418 0.571 20 0 GCADHM COCCc1noc(CN(C)CC(=O)Nc2sccc2-c2nn[n-]n2)n1 ZINC000821694230 606983805 /nfs/dbraw/zinc/98/38/05/606983805.db2.gz DCWLPBHRVFNNNT-UHFFFAOYSA-N -1 3 378.418 0.571 20 0 GCADHM COCCc1noc(CN(C)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)n1 ZINC000821694463 606983837 /nfs/dbraw/zinc/98/38/37/606983837.db2.gz OBZDYDOXSXGXAF-UHFFFAOYSA-N -1 3 390.404 0.719 20 0 GCADHM O=C(CCN1CC(=O)N[C@H]2CCCC[C@H]21)Nc1sccc1-c1nnn[n-]1 ZINC000822963870 606984358 /nfs/dbraw/zinc/98/43/58/606984358.db2.gz ACJOYOXELZPSOG-NWDGAFQWSA-N -1 3 375.458 1.000 20 0 GCADHM O=C(CCN1CC(=O)N[C@H]2CCCC[C@H]21)Nc1sccc1-c1nn[n-]n1 ZINC000822963870 606984359 /nfs/dbraw/zinc/98/43/59/606984359.db2.gz ACJOYOXELZPSOG-NWDGAFQWSA-N -1 3 375.458 1.000 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCCC[C@H]2N1 ZINC000823535781 606984613 /nfs/dbraw/zinc/98/46/13/606984613.db2.gz HQIUARDUQKFICR-HUUCEWRRSA-N -1 3 390.469 0.383 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]2CCCC[C@H]2N1 ZINC000823535781 606984615 /nfs/dbraw/zinc/98/46/15/606984615.db2.gz HQIUARDUQKFICR-HUUCEWRRSA-N -1 3 390.469 0.383 20 0 GCADHM CCNC(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821285556 606985469 /nfs/dbraw/zinc/98/54/69/606985469.db2.gz LBYSPBLRLYSVSX-UHFFFAOYSA-N -1 3 387.444 0.898 20 0 GCADHM CCNC(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821285556 606985470 /nfs/dbraw/zinc/98/54/70/606985470.db2.gz LBYSPBLRLYSVSX-UHFFFAOYSA-N -1 3 387.444 0.898 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822206857 606985887 /nfs/dbraw/zinc/98/58/87/606985887.db2.gz BGUZEDGQSDFPHI-VIFPVBQESA-N -1 3 377.386 0.469 20 0 GCADHM Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822206857 606985889 /nfs/dbraw/zinc/98/58/89/606985889.db2.gz BGUZEDGQSDFPHI-VIFPVBQESA-N -1 3 377.386 0.469 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000821699445 606985952 /nfs/dbraw/zinc/98/59/52/606985952.db2.gz PZUGQRJIFJHABB-JTQLQIEISA-N -1 3 396.425 0.763 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 ZINC000821699445 606985953 /nfs/dbraw/zinc/98/59/53/606985953.db2.gz PZUGQRJIFJHABB-JTQLQIEISA-N -1 3 396.425 0.763 20 0 GCADHM O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823160665 606989108 /nfs/dbraw/zinc/98/91/08/606989108.db2.gz DIOGMDOMQZIQSP-AWEZNQCLSA-N -1 3 394.443 0.374 20 0 GCADHM O=C(Cc1csc2nccn12)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823118600 606989205 /nfs/dbraw/zinc/98/92/05/606989205.db2.gz HSSWRRDFKSBGPM-UHFFFAOYSA-N -1 3 395.452 0.862 20 0 GCADHM O=C(Cc1csc2nccn12)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823118600 606989208 /nfs/dbraw/zinc/98/92/08/606989208.db2.gz HSSWRRDFKSBGPM-UHFFFAOYSA-N -1 3 395.452 0.862 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000820734355 606993449 /nfs/dbraw/zinc/99/34/49/606993449.db2.gz LXSCFUBYZNHCLQ-QJPTWQEYSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000820734355 606993451 /nfs/dbraw/zinc/99/34/51/606993451.db2.gz LXSCFUBYZNHCLQ-QJPTWQEYSA-N -1 3 394.457 0.169 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCNC(=O)c1cccnc1 ZINC000819996867 606994655 /nfs/dbraw/zinc/99/46/55/606994655.db2.gz LLBGHWXMJOTLQY-UHFFFAOYSA-N -1 3 395.423 0.965 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC000820444005 606995380 /nfs/dbraw/zinc/99/53/80/606995380.db2.gz DCTXQQUCDOQOBO-SUNKGSAMSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC000820444005 606995381 /nfs/dbraw/zinc/99/53/81/606995381.db2.gz DCTXQQUCDOQOBO-SUNKGSAMSA-N -1 3 394.457 0.217 20 0 GCADHM CCS(=O)(=O)NCCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821440745 606995491 /nfs/dbraw/zinc/99/54/91/606995491.db2.gz BEEJZPXZSWAISS-UHFFFAOYSA-N -1 3 382.446 0.080 20 0 GCADHM CCS(=O)(=O)NCCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821440745 606995492 /nfs/dbraw/zinc/99/54/92/606995492.db2.gz BEEJZPXZSWAISS-UHFFFAOYSA-N -1 3 382.446 0.080 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCSCC1 ZINC000820443929 606998048 /nfs/dbraw/zinc/99/80/48/606998048.db2.gz BKUBPRNEUSCFDV-LLVKDONJSA-N -1 3 396.498 0.499 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCSCC1 ZINC000820443929 606998049 /nfs/dbraw/zinc/99/80/49/606998049.db2.gz BKUBPRNEUSCFDV-LLVKDONJSA-N -1 3 396.498 0.499 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1nccs1 ZINC000820449763 606998233 /nfs/dbraw/zinc/99/82/33/606998233.db2.gz CFQCAKVWDSAMQS-SECBINFHSA-N -1 3 393.454 0.306 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1nccs1 ZINC000820449763 606998234 /nfs/dbraw/zinc/99/82/34/606998234.db2.gz CFQCAKVWDSAMQS-SECBINFHSA-N -1 3 393.454 0.306 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1nccs1 ZINC000820449764 606998269 /nfs/dbraw/zinc/99/82/69/606998269.db2.gz CFQCAKVWDSAMQS-VIFPVBQESA-N -1 3 393.454 0.306 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1nccs1 ZINC000820449764 606998270 /nfs/dbraw/zinc/99/82/70/606998270.db2.gz CFQCAKVWDSAMQS-VIFPVBQESA-N -1 3 393.454 0.306 20 0 GCADHM COCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821687163 606998607 /nfs/dbraw/zinc/99/86/07/606998607.db2.gz RMBWICJDPZXUSC-LLVKDONJSA-N -1 3 382.446 0.076 20 0 GCADHM COCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821687163 606998609 /nfs/dbraw/zinc/99/86/09/606998609.db2.gz RMBWICJDPZXUSC-LLVKDONJSA-N -1 3 382.446 0.076 20 0 GCADHM Cc1csc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822414693 606998637 /nfs/dbraw/zinc/99/86/37/606998637.db2.gz QCBRDRLTONQUPR-SECBINFHSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1csc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822414693 606998638 /nfs/dbraw/zinc/99/86/38/606998638.db2.gz QCBRDRLTONQUPR-SECBINFHSA-N -1 3 393.454 0.937 20 0 GCADHM CCCN(C)S(=O)(=O)Nc1ccccc1-n1ncc(-c2nnn[n-]2)c1N ZINC000821087914 607000559 /nfs/dbraw/zinc/00/05/59/607000559.db2.gz HNJIJJAUFDIFLG-UHFFFAOYSA-N -1 3 377.434 0.633 20 0 GCADHM CCCN(C)S(=O)(=O)Nc1ccccc1-n1ncc(-c2nn[n-]n2)c1N ZINC000821087914 607000561 /nfs/dbraw/zinc/00/05/61/607000561.db2.gz HNJIJJAUFDIFLG-UHFFFAOYSA-N -1 3 377.434 0.633 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820452075 607001851 /nfs/dbraw/zinc/00/18/51/607001851.db2.gz YXSVVUROHJMZHP-WDEREUQCSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820452075 607001853 /nfs/dbraw/zinc/00/18/53/607001853.db2.gz YXSVVUROHJMZHP-WDEREUQCSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820438354 607001892 /nfs/dbraw/zinc/00/18/92/607001892.db2.gz NMLFPSOBYRDGQV-QWRGUYRKSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820438354 607001893 /nfs/dbraw/zinc/00/18/93/607001893.db2.gz NMLFPSOBYRDGQV-QWRGUYRKSA-N -1 3 378.458 0.696 20 0 GCADHM Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)on1 ZINC000822199675 607004152 /nfs/dbraw/zinc/00/41/52/607004152.db2.gz CTZMTGKZDDIANA-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)on1 ZINC000822199675 607004154 /nfs/dbraw/zinc/00/41/54/607004154.db2.gz CTZMTGKZDDIANA-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM O=S(=O)(CCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)CC1CC1 ZINC000823562962 607006517 /nfs/dbraw/zinc/00/65/17/607006517.db2.gz XTNFZRLCAVLTFN-UHFFFAOYSA-N -1 3 389.434 0.109 20 0 GCADHM O=S(=O)(CCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)CC1CC1 ZINC000823562962 607006519 /nfs/dbraw/zinc/00/65/19/607006519.db2.gz XTNFZRLCAVLTFN-UHFFFAOYSA-N -1 3 389.434 0.109 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821588142 607006618 /nfs/dbraw/zinc/00/66/18/607006618.db2.gz DDHNAADSHSHOCD-UHFFFAOYSA-N -1 3 378.389 0.466 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(=O)n(Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821588142 607006620 /nfs/dbraw/zinc/00/66/20/607006620.db2.gz DDHNAADSHSHOCD-UHFFFAOYSA-N -1 3 378.389 0.466 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[S@](C)=O ZINC000820242979 607007260 /nfs/dbraw/zinc/00/72/60/607007260.db2.gz SAWDXJKZUGGEEJ-PJLCYMMNSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[S@](C)=O ZINC000820242979 607007261 /nfs/dbraw/zinc/00/72/61/607007261.db2.gz SAWDXJKZUGGEEJ-PJLCYMMNSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cscn1 ZINC000820443881 607016249 /nfs/dbraw/zinc/01/62/49/607016249.db2.gz AJHFPUBDTXSSFI-SECBINFHSA-N -1 3 393.454 0.306 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cscn1 ZINC000820443881 607016251 /nfs/dbraw/zinc/01/62/51/607016251.db2.gz AJHFPUBDTXSSFI-SECBINFHSA-N -1 3 393.454 0.306 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCOC(C)(C)C ZINC000820452123 607017280 /nfs/dbraw/zinc/01/72/80/607017280.db2.gz ZWVCOMSPOIFWCA-NSHDSACASA-N -1 3 396.473 0.465 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCOC(C)(C)C ZINC000820452123 607017281 /nfs/dbraw/zinc/01/72/81/607017281.db2.gz ZWVCOMSPOIFWCA-NSHDSACASA-N -1 3 396.473 0.465 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000821755399 607018884 /nfs/dbraw/zinc/01/88/84/607018884.db2.gz FXYLDLGBSJNWEV-LLVKDONJSA-N -1 3 382.384 0.211 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000821755401 607018889 /nfs/dbraw/zinc/01/88/89/607018889.db2.gz FXYLDLGBSJNWEV-NSHDSACASA-N -1 3 382.384 0.211 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCO[C@@H](C)C1 ZINC000820734210 607020518 /nfs/dbraw/zinc/02/05/18/607020518.db2.gz LSCZFUOHRATVDT-RYUDHWBXSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCO[C@@H](C)C1 ZINC000820734210 607020520 /nfs/dbraw/zinc/02/05/20/607020520.db2.gz LSCZFUOHRATVDT-RYUDHWBXSA-N -1 3 394.457 0.171 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821577998 607020537 /nfs/dbraw/zinc/02/05/37/607020537.db2.gz JAIFYALXLZVDNL-UHFFFAOYSA-N -1 3 398.427 0.948 20 0 GCADHM CO[C@@H](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821674011 607020670 /nfs/dbraw/zinc/02/06/70/607020670.db2.gz RBGLRNITFQCTLW-WDEREUQCSA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@@H](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821674011 607020672 /nfs/dbraw/zinc/02/06/72/607020672.db2.gz RBGLRNITFQCTLW-WDEREUQCSA-N -1 3 382.446 0.075 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822418684 607021576 /nfs/dbraw/zinc/02/15/76/607021576.db2.gz DCTXZZREDYYFIB-SNVBAGLBSA-N -1 3 390.429 0.512 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822418684 607021577 /nfs/dbraw/zinc/02/15/77/607021577.db2.gz DCTXZZREDYYFIB-SNVBAGLBSA-N -1 3 390.429 0.512 20 0 GCADHM CO[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821679857 607021609 /nfs/dbraw/zinc/02/16/09/607021609.db2.gz OZTAUJXEXUYKLQ-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821679857 607021611 /nfs/dbraw/zinc/02/16/11/607021611.db2.gz OZTAUJXEXUYKLQ-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM Cc1ccncc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822378564 607022866 /nfs/dbraw/zinc/02/28/66/607022866.db2.gz BKUOHHCHDKMADS-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccncc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822378564 607022867 /nfs/dbraw/zinc/02/28/67/607022867.db2.gz BKUOHHCHDKMADS-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM CC[C@@H](O)CN1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820933755 607023124 /nfs/dbraw/zinc/02/31/24/607023124.db2.gz YREPRFZICXEWOX-OAHLLOKOSA-N -1 3 388.472 0.939 20 0 GCADHM CCOCCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821378488 607023269 /nfs/dbraw/zinc/02/32/69/607023269.db2.gz PFFPHQFYOHXKEF-GFCCVEGCSA-N -1 3 396.473 0.419 20 0 GCADHM CCOCCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821378488 607023270 /nfs/dbraw/zinc/02/32/70/607023270.db2.gz PFFPHQFYOHXKEF-GFCCVEGCSA-N -1 3 396.473 0.419 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1nccs1 ZINC000820438023 607024025 /nfs/dbraw/zinc/02/40/25/607024025.db2.gz GKPNWWFSBSTUOE-VIFPVBQESA-N -1 3 393.454 0.653 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1nccs1 ZINC000820438023 607024026 /nfs/dbraw/zinc/02/40/26/607024026.db2.gz GKPNWWFSBSTUOE-VIFPVBQESA-N -1 3 393.454 0.653 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)c1nccs1 ZINC000820445225 607024464 /nfs/dbraw/zinc/02/44/64/607024464.db2.gz OXTYVIOLTKMEPO-VIFPVBQESA-N -1 3 393.454 0.653 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)c1nccs1 ZINC000820445225 607024465 /nfs/dbraw/zinc/02/44/65/607024465.db2.gz OXTYVIOLTKMEPO-VIFPVBQESA-N -1 3 393.454 0.653 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)c1cccnc1 ZINC000820443966 607026047 /nfs/dbraw/zinc/02/60/47/607026047.db2.gz CJEYPHLWFAOZQJ-NSHDSACASA-N -1 3 387.425 0.592 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)c1cccnc1 ZINC000820443966 607026049 /nfs/dbraw/zinc/02/60/49/607026049.db2.gz CJEYPHLWFAOZQJ-NSHDSACASA-N -1 3 387.425 0.592 20 0 GCADHM CCN(CC1CC1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821198427 607026264 /nfs/dbraw/zinc/02/62/64/607026264.db2.gz UVPONELVLLSNEU-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM CCN(CC1CC1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821198427 607026266 /nfs/dbraw/zinc/02/62/66/607026266.db2.gz UVPONELVLLSNEU-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@]1(C)CCOC1 ZINC000820451332 607028381 /nfs/dbraw/zinc/02/83/81/607028381.db2.gz UXPYMNVZZZLTCZ-ZBEGNZNMSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@]1(C)CCOC1 ZINC000820451332 607028383 /nfs/dbraw/zinc/02/83/83/607028383.db2.gz UXPYMNVZZZLTCZ-ZBEGNZNMSA-N -1 3 394.457 0.076 20 0 GCADHM CCN(C(=O)COc1cc(-c2nnn[n-]2)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000821154521 607029266 /nfs/dbraw/zinc/02/92/66/607029266.db2.gz OFMXJFLWFQSZIP-CYBMUJFWSA-N -1 3 379.442 0.590 20 0 GCADHM CCN(C(=O)COc1cc(-c2nn[n-]n2)ccc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000821154521 607029267 /nfs/dbraw/zinc/02/92/67/607029267.db2.gz OFMXJFLWFQSZIP-CYBMUJFWSA-N -1 3 379.442 0.590 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000819992481 607035934 /nfs/dbraw/zinc/03/59/34/607035934.db2.gz ZDAPBQULASNYNH-LBPRGKRZSA-N -1 3 394.457 0.174 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000819992480 607036002 /nfs/dbraw/zinc/03/60/02/607036002.db2.gz ZDAPBQULASNYNH-GFCCVEGCSA-N -1 3 394.457 0.174 20 0 GCADHM CN(C(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821572048 607036774 /nfs/dbraw/zinc/03/67/74/607036774.db2.gz PNHMDZXCLPNUPU-UHFFFAOYSA-N -1 3 379.446 0.754 20 0 GCADHM CN(C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821572048 607036776 /nfs/dbraw/zinc/03/67/76/607036776.db2.gz PNHMDZXCLPNUPU-UHFFFAOYSA-N -1 3 379.446 0.754 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCC1CC1 ZINC000820450654 607037565 /nfs/dbraw/zinc/03/75/65/607037565.db2.gz NYWVSXGESAEGGU-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCC1CC1 ZINC000820450654 607037567 /nfs/dbraw/zinc/03/75/67/607037567.db2.gz NYWVSXGESAEGGU-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM CSC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821956729 607038340 /nfs/dbraw/zinc/03/83/40/607038340.db2.gz WOSAASZFXDXOQY-UWVGGRQHSA-N -1 3 384.487 0.401 20 0 GCADHM CSC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821956729 607038341 /nfs/dbraw/zinc/03/83/41/607038341.db2.gz WOSAASZFXDXOQY-UWVGGRQHSA-N -1 3 384.487 0.401 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC=CCC1 ZINC000820438717 607039617 /nfs/dbraw/zinc/03/96/17/607039617.db2.gz VLLOPXZMDQQVHG-YPMHNXCESA-N -1 3 376.442 0.758 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC=CCC1 ZINC000820438717 607039618 /nfs/dbraw/zinc/03/96/18/607039618.db2.gz VLLOPXZMDQQVHG-YPMHNXCESA-N -1 3 376.442 0.758 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCSC[C@H]1C ZINC000820438446 607041246 /nfs/dbraw/zinc/04/12/46/607041246.db2.gz PVTFDUTYLSATMA-GHMZBOCLSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCSC[C@H]1C ZINC000820438446 607041247 /nfs/dbraw/zinc/04/12/47/607041247.db2.gz PVTFDUTYLSATMA-GHMZBOCLSA-N -1 3 396.498 0.497 20 0 GCADHM CNC(=O)Cc1noc(COc2ccc(Br)cc2-c2nnn[n-]2)n1 ZINC000821634158 607042967 /nfs/dbraw/zinc/04/29/67/607042967.db2.gz UNBQQQJMXLLPRQ-UHFFFAOYSA-N -1 3 394.189 0.880 20 0 GCADHM CNC(=O)Cc1noc(COc2ccc(Br)cc2-c2nn[n-]n2)n1 ZINC000821634158 607042969 /nfs/dbraw/zinc/04/29/69/607042969.db2.gz UNBQQQJMXLLPRQ-UHFFFAOYSA-N -1 3 394.189 0.880 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000820474315 607042961 /nfs/dbraw/zinc/04/29/61/607042961.db2.gz RFMNXTGPAIGTQD-SDDRHHMPSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000820474315 607042963 /nfs/dbraw/zinc/04/29/63/607042963.db2.gz RFMNXTGPAIGTQD-SDDRHHMPSA-N -1 3 396.473 0.057 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821325774 607043049 /nfs/dbraw/zinc/04/30/49/607043049.db2.gz MIRBTVYKINYZNC-CQSZACIVSA-N -1 3 389.412 0.815 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821325774 607043051 /nfs/dbraw/zinc/04/30/51/607043051.db2.gz MIRBTVYKINYZNC-CQSZACIVSA-N -1 3 389.412 0.815 20 0 GCADHM CCC(O)(CC)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820925812 607048477 /nfs/dbraw/zinc/04/84/77/607048477.db2.gz MYNVSGJSIBKFRJ-LLVKDONJSA-N -1 3 396.473 0.201 20 0 GCADHM CCC(O)(CC)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820925812 607048478 /nfs/dbraw/zinc/04/84/78/607048478.db2.gz MYNVSGJSIBKFRJ-LLVKDONJSA-N -1 3 396.473 0.201 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCOC1CCC1 ZINC000820449807 607049346 /nfs/dbraw/zinc/04/93/46/607049346.db2.gz CSLXHTZYPNDDBI-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCOC1CCC1 ZINC000820449807 607049347 /nfs/dbraw/zinc/04/93/47/607049347.db2.gz CSLXHTZYPNDDBI-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCSC1 ZINC000820450465 607049421 /nfs/dbraw/zinc/04/94/21/607049421.db2.gz KTUCYGJHDSQMJC-MWLCHTKSSA-N -1 3 382.471 0.155 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCSC1 ZINC000820450465 607049423 /nfs/dbraw/zinc/04/94/23/607049423.db2.gz KTUCYGJHDSQMJC-MWLCHTKSSA-N -1 3 382.471 0.155 20 0 GCADHM CC(C)[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451010 607050993 /nfs/dbraw/zinc/05/09/93/607050993.db2.gz QVHMLTIWINYDOW-BDJLRTHQSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451010 607050995 /nfs/dbraw/zinc/05/09/95/607050995.db2.gz QVHMLTIWINYDOW-BDJLRTHQSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@@H](O)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820932580 607051253 /nfs/dbraw/zinc/05/12/53/607051253.db2.gz OYTGCXWAHLABJF-WCQYABFASA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@@H](O)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820932580 607051255 /nfs/dbraw/zinc/05/12/55/607051255.db2.gz OYTGCXWAHLABJF-WCQYABFASA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821009617 607051603 /nfs/dbraw/zinc/05/16/03/607051603.db2.gz WZIMFCMCKGVXMJ-MEDUHNTESA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821009617 607051605 /nfs/dbraw/zinc/05/16/05/607051605.db2.gz WZIMFCMCKGVXMJ-MEDUHNTESA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@@H]1C[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821034618 607051906 /nfs/dbraw/zinc/05/19/06/607051906.db2.gz PVGFUXFLDRPOGU-JTNHKYCSSA-N -1 3 378.458 0.838 20 0 GCADHM CCC[C@@H]1C[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821034618 607051907 /nfs/dbraw/zinc/05/19/07/607051907.db2.gz PVGFUXFLDRPOGU-JTNHKYCSSA-N -1 3 378.458 0.838 20 0 GCADHM CCC1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820966979 607052771 /nfs/dbraw/zinc/05/27/71/607052771.db2.gz JIYCJRIGDCSNLZ-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM CCC1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820966979 607052773 /nfs/dbraw/zinc/05/27/73/607052773.db2.gz JIYCJRIGDCSNLZ-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM Cc1ncccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822472738 607053188 /nfs/dbraw/zinc/05/31/88/607053188.db2.gz YBRVSDDFLMPUIB-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ncccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822472738 607053190 /nfs/dbraw/zinc/05/31/90/607053190.db2.gz YBRVSDDFLMPUIB-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM CO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821675188 607053417 /nfs/dbraw/zinc/05/34/17/607053417.db2.gz FRGPHRKNHMZCDB-SMDDNHRTSA-N -1 3 396.473 0.321 20 0 GCADHM CO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821675188 607053418 /nfs/dbraw/zinc/05/34/18/607053418.db2.gz FRGPHRKNHMZCDB-SMDDNHRTSA-N -1 3 396.473 0.321 20 0 GCADHM CCC1(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820958656 607054532 /nfs/dbraw/zinc/05/45/32/607054532.db2.gz WTLLKSVUHDHOBM-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM CCC1(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820958656 607054533 /nfs/dbraw/zinc/05/45/33/607054533.db2.gz WTLLKSVUHDHOBM-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821164289 607054635 /nfs/dbraw/zinc/05/46/35/607054635.db2.gz ALBDDUDAVROBEO-ZDUSSCGKSA-N -1 3 396.448 0.131 20 0 GCADHM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821164289 607054637 /nfs/dbraw/zinc/05/46/37/607054637.db2.gz ALBDDUDAVROBEO-ZDUSSCGKSA-N -1 3 396.448 0.131 20 0 GCADHM CC[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820979173 607061305 /nfs/dbraw/zinc/06/13/05/607061305.db2.gz FXGWDYSIFPBBKW-RYUDHWBXSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820979173 607061306 /nfs/dbraw/zinc/06/13/06/607061306.db2.gz FXGWDYSIFPBBKW-RYUDHWBXSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820902864 607061316 /nfs/dbraw/zinc/06/13/16/607061316.db2.gz PAHGASCJDVZLLI-NWDGAFQWSA-N -1 3 396.473 0.058 20 0 GCADHM CC[C@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820902864 607061317 /nfs/dbraw/zinc/06/13/17/607061317.db2.gz PAHGASCJDVZLLI-NWDGAFQWSA-N -1 3 396.473 0.058 20 0 GCADHM Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000822060170 607062444 /nfs/dbraw/zinc/06/24/44/607062444.db2.gz FXQMYYLMPPAYBK-VIFPVBQESA-N -1 3 390.429 0.214 20 0 GCADHM Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000822060170 607062445 /nfs/dbraw/zinc/06/24/45/607062445.db2.gz FXQMYYLMPPAYBK-VIFPVBQESA-N -1 3 390.429 0.214 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820993753 607063343 /nfs/dbraw/zinc/06/33/43/607063343.db2.gz BFMYFWQCGCJTOX-JQWIXIFHSA-N -1 3 379.446 0.052 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820993753 607063345 /nfs/dbraw/zinc/06/33/45/607063345.db2.gz BFMYFWQCGCJTOX-JQWIXIFHSA-N -1 3 379.446 0.052 20 0 GCADHM O=C(NCCn1ncnn1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823229483 607064424 /nfs/dbraw/zinc/06/44/24/607064424.db2.gz UMCHRQJWLWFOIR-UHFFFAOYSA-N -1 3 393.371 0.862 20 0 GCADHM O=C(NCCn1ncnn1)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823229483 607064425 /nfs/dbraw/zinc/06/44/25/607064425.db2.gz UMCHRQJWLWFOIR-UHFFFAOYSA-N -1 3 393.371 0.862 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)[S@](C)=O ZINC000820241547 607064609 /nfs/dbraw/zinc/06/46/09/607064609.db2.gz GSKFSDFSOLJVNI-CEXHIMGSSA-N -1 3 391.501 0.855 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)[S@](C)=O ZINC000820241547 607064611 /nfs/dbraw/zinc/06/46/11/607064611.db2.gz GSKFSDFSOLJVNI-CEXHIMGSSA-N -1 3 391.501 0.855 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821640738 607078815 /nfs/dbraw/zinc/07/88/15/607078815.db2.gz NXRCYIXDVVSZLW-HNNXBMFYSA-N -1 3 390.444 0.381 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821640738 607078816 /nfs/dbraw/zinc/07/88/16/607078816.db2.gz NXRCYIXDVVSZLW-HNNXBMFYSA-N -1 3 390.444 0.381 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccccn1 ZINC000820446706 607079192 /nfs/dbraw/zinc/07/91/92/607079192.db2.gz WSDQFWGFAOKCHG-LLVKDONJSA-N -1 3 388.409 0.672 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccccn1 ZINC000820446706 607079195 /nfs/dbraw/zinc/07/91/95/607079195.db2.gz WSDQFWGFAOKCHG-LLVKDONJSA-N -1 3 388.409 0.672 20 0 GCADHM O=C(N[C@H](CO)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000823139770 607079420 /nfs/dbraw/zinc/07/94/20/607079420.db2.gz LSLMYJWTUGAIDX-OAHLLOKOSA-N -1 3 385.355 0.840 20 0 GCADHM O=C(N[C@H](CO)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000823139770 607079423 /nfs/dbraw/zinc/07/94/23/607079423.db2.gz LSLMYJWTUGAIDX-OAHLLOKOSA-N -1 3 385.355 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cccnc1 ZINC000820450386 607079480 /nfs/dbraw/zinc/07/94/80/607079480.db2.gz JVYRCBBGLZIDPK-NSHDSACASA-N -1 3 388.409 0.672 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cccnc1 ZINC000820450386 607079482 /nfs/dbraw/zinc/07/94/82/607079482.db2.gz JVYRCBBGLZIDPK-NSHDSACASA-N -1 3 388.409 0.672 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCOC1 ZINC000820444307 607080582 /nfs/dbraw/zinc/08/05/82/607080582.db2.gz IHQBPLUUYCQAAG-MNOVXSKESA-N -1 3 381.414 0.113 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCOC1 ZINC000820444307 607080583 /nfs/dbraw/zinc/08/05/83/607080583.db2.gz IHQBPLUUYCQAAG-MNOVXSKESA-N -1 3 381.414 0.113 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCCOC1 ZINC000820450015 607080842 /nfs/dbraw/zinc/08/08/42/607080842.db2.gz FZLTYOAMTFNVCQ-NEPJUHHUSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCCOC1 ZINC000820450015 607080843 /nfs/dbraw/zinc/08/08/43/607080843.db2.gz FZLTYOAMTFNVCQ-NEPJUHHUSA-N -1 3 395.441 0.503 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OC[C@@H]1CCCOC1 ZINC000823054931 607081509 /nfs/dbraw/zinc/08/15/09/607081509.db2.gz HOALVGPNXMLMHJ-CYBMUJFWSA-N -1 3 380.426 0.751 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OC[C@@H]1CCCOC1 ZINC000823054931 607081511 /nfs/dbraw/zinc/08/15/11/607081511.db2.gz HOALVGPNXMLMHJ-CYBMUJFWSA-N -1 3 380.426 0.751 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCCCO1 ZINC000820445972 607082582 /nfs/dbraw/zinc/08/25/82/607082582.db2.gz SAMVMDLLMBIWPJ-AAEUAGOBSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCCCO1 ZINC000820445972 607082584 /nfs/dbraw/zinc/08/25/84/607082584.db2.gz SAMVMDLLMBIWPJ-AAEUAGOBSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCSC1 ZINC000820451390 607082675 /nfs/dbraw/zinc/08/26/75/607082675.db2.gz VBGHVQPFUQTSJW-KOLCDFICSA-N -1 3 383.455 0.582 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCSC1 ZINC000820451390 607082677 /nfs/dbraw/zinc/08/26/77/607082677.db2.gz VBGHVQPFUQTSJW-KOLCDFICSA-N -1 3 383.455 0.582 20 0 GCADHM CCOC(=O)CCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821330943 607082963 /nfs/dbraw/zinc/08/29/63/607082963.db2.gz ZSRCGIWHENIXBX-JTQLQIEISA-N -1 3 397.413 0.030 20 0 GCADHM CCOC(=O)CCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821330943 607082965 /nfs/dbraw/zinc/08/29/65/607082965.db2.gz ZSRCGIWHENIXBX-JTQLQIEISA-N -1 3 397.413 0.030 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCSC1 ZINC000820451394 607082975 /nfs/dbraw/zinc/08/29/75/607082975.db2.gz VBGHVQPFUQTSJW-ONGXEEELSA-N -1 3 383.455 0.582 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCSC1 ZINC000820451394 607082978 /nfs/dbraw/zinc/08/29/78/607082978.db2.gz VBGHVQPFUQTSJW-ONGXEEELSA-N -1 3 383.455 0.582 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)c(=O)n(C)c1 ZINC000822207440 607083444 /nfs/dbraw/zinc/08/34/44/607083444.db2.gz WISFLZSGDQUHIS-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)c(=O)n(C)c1 ZINC000822207440 607083446 /nfs/dbraw/zinc/08/34/46/607083446.db2.gz WISFLZSGDQUHIS-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820467506 607085520 /nfs/dbraw/zinc/08/55/20/607085520.db2.gz ISAODYPNLPPECT-NOZJJQNGSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820467506 607085522 /nfs/dbraw/zinc/08/55/22/607085522.db2.gz ISAODYPNLPPECT-NOZJJQNGSA-N -1 3 379.392 0.961 20 0 GCADHM CCCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821127196 607089810 /nfs/dbraw/zinc/08/98/10/607089810.db2.gz CNIUQFAAOZCAMF-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM CCCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821127196 607089812 /nfs/dbraw/zinc/08/98/12/607089812.db2.gz CNIUQFAAOZCAMF-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCCS1 ZINC000820450449 607091048 /nfs/dbraw/zinc/09/10/48/607091048.db2.gz KTJXAJXSSVHYSU-ZYHUDNBSSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCCS1 ZINC000820450449 607091050 /nfs/dbraw/zinc/09/10/50/607091050.db2.gz KTJXAJXSSVHYSU-ZYHUDNBSSA-N -1 3 397.482 0.972 20 0 GCADHM COC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821684277 607091610 /nfs/dbraw/zinc/09/16/10/607091610.db2.gz WSGIFBSEBKUKLZ-BXUZGUMPSA-N -1 3 397.457 0.748 20 0 GCADHM COC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821684277 607091611 /nfs/dbraw/zinc/09/16/11/607091611.db2.gz WSGIFBSEBKUKLZ-BXUZGUMPSA-N -1 3 397.457 0.748 20 0 GCADHM COC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821684279 607091625 /nfs/dbraw/zinc/09/16/25/607091625.db2.gz WSGIFBSEBKUKLZ-RISCZKNCSA-N -1 3 397.457 0.748 20 0 GCADHM COC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821684279 607091627 /nfs/dbraw/zinc/09/16/27/607091627.db2.gz WSGIFBSEBKUKLZ-RISCZKNCSA-N -1 3 397.457 0.748 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCSC1 ZINC000820449867 607091844 /nfs/dbraw/zinc/09/18/44/607091844.db2.gz DFLQTOSFQLHORK-GHMZBOCLSA-N -1 3 397.482 0.830 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCSC1 ZINC000820449867 607091845 /nfs/dbraw/zinc/09/18/45/607091845.db2.gz DFLQTOSFQLHORK-GHMZBOCLSA-N -1 3 397.482 0.830 20 0 GCADHM CCC1(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)COC1 ZINC000820966723 607091877 /nfs/dbraw/zinc/09/18/77/607091877.db2.gz HVSXVAUACQEKNR-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM CCC1(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)COC1 ZINC000820966723 607091878 /nfs/dbraw/zinc/09/18/78/607091878.db2.gz HVSXVAUACQEKNR-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCOC1 ZINC000820446820 607091913 /nfs/dbraw/zinc/09/19/13/607091913.db2.gz XHSIDNDMKBJFHD-LOWVWBTDSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCOC1 ZINC000820446820 607091914 /nfs/dbraw/zinc/09/19/14/607091914.db2.gz XHSIDNDMKBJFHD-LOWVWBTDSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC[C@@H]1CCCO1 ZINC000820447553 607091969 /nfs/dbraw/zinc/09/19/69/607091969.db2.gz ZPCXZZBCUOUAKZ-YPMHNXCESA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC[C@@H]1CCCO1 ZINC000820447553 607091971 /nfs/dbraw/zinc/09/19/71/607091971.db2.gz ZPCXZZBCUOUAKZ-YPMHNXCESA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCCOC1 ZINC000820452121 607092085 /nfs/dbraw/zinc/09/20/85/607092085.db2.gz ZWRZHKALZLYRKC-ZYHUDNBSSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCCOC1 ZINC000820452121 607092087 /nfs/dbraw/zinc/09/20/87/607092087.db2.gz ZWRZHKALZLYRKC-ZYHUDNBSSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCCOC1 ZINC000820452118 607092114 /nfs/dbraw/zinc/09/21/14/607092114.db2.gz ZWRZHKALZLYRKC-JQWIXIFHSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCCOC1 ZINC000820452118 607092116 /nfs/dbraw/zinc/09/21/16/607092116.db2.gz ZWRZHKALZLYRKC-JQWIXIFHSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@]1(C)CCCO1 ZINC000820449822 607092253 /nfs/dbraw/zinc/09/22/53/607092253.db2.gz CUVCPVZSTDWJCM-MEDUHNTESA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@]1(C)CCCO1 ZINC000820449822 607092255 /nfs/dbraw/zinc/09/22/55/607092255.db2.gz CUVCPVZSTDWJCM-MEDUHNTESA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820804293 607093079 /nfs/dbraw/zinc/09/30/79/607093079.db2.gz PUDPAALTFMNPAS-SCZZXKLOSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820804293 607093081 /nfs/dbraw/zinc/09/30/81/607093081.db2.gz PUDPAALTFMNPAS-SCZZXKLOSA-N -1 3 380.792 0.067 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821631896 607093547 /nfs/dbraw/zinc/09/35/47/607093547.db2.gz WYJZWGLWEGBISH-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821631896 607093549 /nfs/dbraw/zinc/09/35/49/607093549.db2.gz WYJZWGLWEGBISH-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000823337767 607094165 /nfs/dbraw/zinc/09/41/65/607094165.db2.gz RQEHZUIJRXBWHF-CYBMUJFWSA-N -1 3 387.375 0.214 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000823337767 607094167 /nfs/dbraw/zinc/09/41/67/607094167.db2.gz RQEHZUIJRXBWHF-CYBMUJFWSA-N -1 3 387.375 0.214 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000823332515 607094217 /nfs/dbraw/zinc/09/42/17/607094217.db2.gz OFWVLGDAYGKGTI-SECBINFHSA-N -1 3 386.803 0.855 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000823332515 607094219 /nfs/dbraw/zinc/09/42/19/607094219.db2.gz OFWVLGDAYGKGTI-SECBINFHSA-N -1 3 386.803 0.855 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)c1-c1nnn[n-]1 ZINC000822312983 607094291 /nfs/dbraw/zinc/09/42/91/607094291.db2.gz KLRRAYGHQVTRDU-LLVKDONJSA-N -1 3 395.427 0.919 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)c1-c1nn[n-]n1 ZINC000822312983 607094292 /nfs/dbraw/zinc/09/42/92/607094292.db2.gz KLRRAYGHQVTRDU-LLVKDONJSA-N -1 3 395.427 0.919 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[C@@H](C)[S@](C)=O ZINC000821755192 607096978 /nfs/dbraw/zinc/09/69/78/607096978.db2.gz ARZYJJOYPSVUJR-BGGANLFTSA-N -1 3 380.430 0.087 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[C@@H](C)[S@](C)=O ZINC000821755192 607096979 /nfs/dbraw/zinc/09/69/79/607096979.db2.gz ARZYJJOYPSVUJR-BGGANLFTSA-N -1 3 380.430 0.087 20 0 GCADHM CN(C)C(=O)CCC[S@](=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821575990 607098858 /nfs/dbraw/zinc/09/88/58/607098858.db2.gz XPHFMGUSWXRAEM-SANMLTNESA-N -1 3 378.458 0.100 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)nc1 ZINC000820445113 607099523 /nfs/dbraw/zinc/09/95/23/607099523.db2.gz NOWDZWOMGJYEJP-VIFPVBQESA-N -1 3 391.388 0.706 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)nc1 ZINC000820445113 607099525 /nfs/dbraw/zinc/09/95/25/607099525.db2.gz NOWDZWOMGJYEJP-VIFPVBQESA-N -1 3 391.388 0.706 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820803743 607102939 /nfs/dbraw/zinc/10/29/39/607102939.db2.gz GOGZSASMAGTFCK-CMPLNLGQSA-N -1 3 380.836 0.930 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820803743 607102940 /nfs/dbraw/zinc/10/29/40/607102940.db2.gz GOGZSASMAGTFCK-CMPLNLGQSA-N -1 3 380.836 0.930 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820803646 607103202 /nfs/dbraw/zinc/10/32/02/607103202.db2.gz DPXHWJPNRSNAQZ-GHMZBOCLSA-N -1 3 392.485 0.827 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820803646 607103204 /nfs/dbraw/zinc/10/32/04/607103204.db2.gz DPXHWJPNRSNAQZ-GHMZBOCLSA-N -1 3 392.485 0.827 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820803647 607103259 /nfs/dbraw/zinc/10/32/59/607103259.db2.gz DPXHWJPNRSNAQZ-MNOVXSKESA-N -1 3 392.485 0.827 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820803647 607103260 /nfs/dbraw/zinc/10/32/60/607103260.db2.gz DPXHWJPNRSNAQZ-MNOVXSKESA-N -1 3 392.485 0.827 20 0 GCADHM NC(=O)NC(=O)C1CCC(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822874217 607103354 /nfs/dbraw/zinc/10/33/54/607103354.db2.gz VBVLSEXRMIHSST-UHFFFAOYSA-N -1 3 385.428 0.669 20 0 GCADHM NC(=O)NC(=O)C1CCC(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822874217 607103355 /nfs/dbraw/zinc/10/33/55/607103355.db2.gz VBVLSEXRMIHSST-UHFFFAOYSA-N -1 3 385.428 0.669 20 0 GCADHM C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000820384625 607103970 /nfs/dbraw/zinc/10/39/70/607103970.db2.gz JHODTDAPDSISBP-SSDOTTSWSA-N -1 3 383.397 0.957 20 0 GCADHM O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823150570 607110893 /nfs/dbraw/zinc/11/08/93/607110893.db2.gz QCMDIFQXDPLUAG-CQSZACIVSA-N -1 3 394.443 0.894 20 0 GCADHM O=C(N[C@@H]1CCCc2c[nH]nc21)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823150570 607110896 /nfs/dbraw/zinc/11/08/96/607110896.db2.gz QCMDIFQXDPLUAG-CQSZACIVSA-N -1 3 394.443 0.894 20 0 GCADHM CC(=O)NC1(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCCC1 ZINC000819803663 607111716 /nfs/dbraw/zinc/11/17/16/607111716.db2.gz OYYZQOXSXFIGSS-OAHLLOKOSA-N -1 3 398.423 0.964 20 0 GCADHM CC(=O)NC1(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCCC1 ZINC000819803663 607111717 /nfs/dbraw/zinc/11/17/17/607111717.db2.gz OYYZQOXSXFIGSS-OAHLLOKOSA-N -1 3 398.423 0.964 20 0 GCADHM CS(=O)(=O)CCCCN1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821927110 607113133 /nfs/dbraw/zinc/11/31/33/607113133.db2.gz PMAGHVZWWXYPQU-UHFFFAOYSA-N -1 3 378.502 0.809 20 0 GCADHM CS(=O)(=O)CCCCN1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821927110 607113134 /nfs/dbraw/zinc/11/31/34/607113134.db2.gz PMAGHVZWWXYPQU-UHFFFAOYSA-N -1 3 378.502 0.809 20 0 GCADHM Cc1ncc(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(N)n1 ZINC000822467430 607113948 /nfs/dbraw/zinc/11/39/48/607113948.db2.gz MNOKYBXWYRGCBM-ZDUSSCGKSA-N -1 3 380.368 0.510 20 0 GCADHM Cc1ncc(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(N)n1 ZINC000822467430 607113949 /nfs/dbraw/zinc/11/39/49/607113949.db2.gz MNOKYBXWYRGCBM-ZDUSSCGKSA-N -1 3 380.368 0.510 20 0 GCADHM C[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C1CCOCC1 ZINC000819883807 607114605 /nfs/dbraw/zinc/11/46/05/607114605.db2.gz OAIRKINDORRCDF-NSHDSACASA-N -1 3 380.426 0.892 20 0 GCADHM C[C@@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C1CCOCC1 ZINC000819883807 607114607 /nfs/dbraw/zinc/11/46/07/607114607.db2.gz OAIRKINDORRCDF-NSHDSACASA-N -1 3 380.426 0.892 20 0 GCADHM CC(=O)CCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819782949 607115599 /nfs/dbraw/zinc/11/55/99/607115599.db2.gz RKZCTZICCSWARN-GFCCVEGCSA-N -1 3 395.441 0.836 20 0 GCADHM CC(=O)CCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819782949 607115600 /nfs/dbraw/zinc/11/56/00/607115600.db2.gz RKZCTZICCSWARN-GFCCVEGCSA-N -1 3 395.441 0.836 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccon1 ZINC000820445118 607116195 /nfs/dbraw/zinc/11/61/95/607116195.db2.gz NVWSFVZXGDVJGB-SECBINFHSA-N -1 3 378.370 0.265 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccon1 ZINC000820445118 607116197 /nfs/dbraw/zinc/11/61/97/607116197.db2.gz NVWSFVZXGDVJGB-SECBINFHSA-N -1 3 378.370 0.265 20 0 GCADHM CCCC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821000857 607116540 /nfs/dbraw/zinc/11/65/40/607116540.db2.gz KMUCVGVPQCFZJJ-SNVBAGLBSA-N -1 3 381.414 0.446 20 0 GCADHM CCCC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821000857 607116542 /nfs/dbraw/zinc/11/65/42/607116542.db2.gz KMUCVGVPQCFZJJ-SNVBAGLBSA-N -1 3 381.414 0.446 20 0 GCADHM CCC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820833075 607116616 /nfs/dbraw/zinc/11/66/16/607116616.db2.gz SCRIIPAPWMSACF-ZJUUUORDSA-N -1 3 381.414 0.444 20 0 GCADHM CCC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820833075 607116618 /nfs/dbraw/zinc/11/66/18/607116618.db2.gz SCRIIPAPWMSACF-ZJUUUORDSA-N -1 3 381.414 0.444 20 0 GCADHM CCCC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821000856 607116698 /nfs/dbraw/zinc/11/66/98/607116698.db2.gz KMUCVGVPQCFZJJ-JTQLQIEISA-N -1 3 381.414 0.446 20 0 GCADHM CCCC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821000856 607116700 /nfs/dbraw/zinc/11/67/00/607116700.db2.gz KMUCVGVPQCFZJJ-JTQLQIEISA-N -1 3 381.414 0.446 20 0 GCADHM Cc1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822200859 607116854 /nfs/dbraw/zinc/11/68/54/607116854.db2.gz FVMFVDFVRZIAOG-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822200859 607116855 /nfs/dbraw/zinc/11/68/55/607116855.db2.gz FVMFVDFVRZIAOG-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)on1 ZINC000822200877 607116887 /nfs/dbraw/zinc/11/68/87/607116887.db2.gz GQJNLRSEXDBHRI-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)on1 ZINC000822200877 607116888 /nfs/dbraw/zinc/11/68/88/607116888.db2.gz GQJNLRSEXDBHRI-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821646847 607116890 /nfs/dbraw/zinc/11/68/90/607116890.db2.gz PPGAZJPGGCZTDL-HNNXBMFYSA-N -1 3 396.363 0.449 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821646847 607116891 /nfs/dbraw/zinc/11/68/91/607116891.db2.gz PPGAZJPGGCZTDL-HNNXBMFYSA-N -1 3 396.363 0.449 20 0 GCADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCNC1=O ZINC000820480024 607118026 /nfs/dbraw/zinc/11/80/26/607118026.db2.gz FFPSXLWISUQNOD-SNVBAGLBSA-N -1 3 388.384 0.508 20 0 GCADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCNC1=O ZINC000820480024 607118028 /nfs/dbraw/zinc/11/80/28/607118028.db2.gz FFPSXLWISUQNOD-SNVBAGLBSA-N -1 3 388.384 0.508 20 0 GCADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC000820481703 607118146 /nfs/dbraw/zinc/11/81/46/607118146.db2.gz YNKCCXGPNOUYIN-LBPRGKRZSA-N -1 3 389.412 0.815 20 0 GCADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC000820481703 607118147 /nfs/dbraw/zinc/11/81/47/607118147.db2.gz YNKCCXGPNOUYIN-LBPRGKRZSA-N -1 3 389.412 0.815 20 0 GCADHM COC(=O)CCNC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821661376 607118457 /nfs/dbraw/zinc/11/84/57/607118457.db2.gz GHUSYZBRGYLPGS-UHFFFAOYSA-N -1 3 391.384 0.247 20 0 GCADHM COC(=O)CCNC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821661376 607118458 /nfs/dbraw/zinc/11/84/58/607118458.db2.gz GHUSYZBRGYLPGS-UHFFFAOYSA-N -1 3 391.384 0.247 20 0 GCADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC000820481702 607118516 /nfs/dbraw/zinc/11/85/16/607118516.db2.gz YNKCCXGPNOUYIN-GFCCVEGCSA-N -1 3 389.412 0.815 20 0 GCADHM C[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC000820481702 607118517 /nfs/dbraw/zinc/11/85/17/607118517.db2.gz YNKCCXGPNOUYIN-GFCCVEGCSA-N -1 3 389.412 0.815 20 0 GCADHM CC(C)OCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820142818 607118921 /nfs/dbraw/zinc/11/89/21/607118921.db2.gz XIJMMJPJMSNISH-GFCCVEGCSA-N -1 3 397.457 0.892 20 0 GCADHM CC(C)OCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820142818 607118924 /nfs/dbraw/zinc/11/89/24/607118924.db2.gz XIJMMJPJMSNISH-GFCCVEGCSA-N -1 3 397.457 0.892 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccno1 ZINC000820451015 607119091 /nfs/dbraw/zinc/11/90/91/607119091.db2.gz QVTIGUCICXFQLG-VIFPVBQESA-N -1 3 378.370 0.265 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccno1 ZINC000820451015 607119093 /nfs/dbraw/zinc/11/90/93/607119093.db2.gz QVTIGUCICXFQLG-VIFPVBQESA-N -1 3 378.370 0.265 20 0 GCADHM COCCCNC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821687502 607119831 /nfs/dbraw/zinc/11/98/31/607119831.db2.gz BVGDHJHAJXXYMF-UHFFFAOYSA-N -1 3 377.401 0.720 20 0 GCADHM COCCCNC(=O)COC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821687502 607119832 /nfs/dbraw/zinc/11/98/32/607119832.db2.gz BVGDHJHAJXXYMF-UHFFFAOYSA-N -1 3 377.401 0.720 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820861774 607120754 /nfs/dbraw/zinc/12/07/54/607120754.db2.gz NNOWYIXHDNUVFX-WDEREUQCSA-N -1 3 395.441 0.692 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820861774 607120756 /nfs/dbraw/zinc/12/07/56/607120756.db2.gz NNOWYIXHDNUVFX-WDEREUQCSA-N -1 3 395.441 0.692 20 0 GCADHM CC(C)CC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820051259 607120799 /nfs/dbraw/zinc/12/07/99/607120799.db2.gz LVHBMOQQLBTVSY-NSHDSACASA-N -1 3 395.441 0.692 20 0 GCADHM CC(C)CC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820051259 607120801 /nfs/dbraw/zinc/12/08/01/607120801.db2.gz LVHBMOQQLBTVSY-NSHDSACASA-N -1 3 395.441 0.692 20 0 GCADHM O=C(CN1C[C@H](CO)Oc2ccccc21)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822993727 607123388 /nfs/dbraw/zinc/12/33/88/607123388.db2.gz XFKLVCYQCWTFFY-OAHLLOKOSA-N -1 3 380.408 0.743 20 0 GCADHM O=C(CN1C[C@H](CO)Oc2ccccc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822993727 607123391 /nfs/dbraw/zinc/12/33/91/607123391.db2.gz XFKLVCYQCWTFFY-OAHLLOKOSA-N -1 3 380.408 0.743 20 0 GCADHM CC(C)OC(=O)[C@@H](C)N(C)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820142123 607126804 /nfs/dbraw/zinc/12/68/04/607126804.db2.gz GRTGBTPLGANNDV-GFCCVEGCSA-N -1 3 381.458 0.912 20 0 GCADHM CC(C)OC(=O)[C@@H](C)N(C)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820142123 607126806 /nfs/dbraw/zinc/12/68/06/607126806.db2.gz GRTGBTPLGANNDV-GFCCVEGCSA-N -1 3 381.458 0.912 20 0 GCADHM COC(=O)[C@]1(C)CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821651696 607128876 /nfs/dbraw/zinc/12/88/76/607128876.db2.gz DSHXUGHJVYDKMH-CQSZACIVSA-N -1 3 387.368 0.719 20 0 GCADHM COC(=O)[C@]1(C)CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821651696 607128878 /nfs/dbraw/zinc/12/88/78/607128878.db2.gz DSHXUGHJVYDKMH-CQSZACIVSA-N -1 3 387.368 0.719 20 0 GCADHM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000820533599 607136283 /nfs/dbraw/zinc/13/62/83/607136283.db2.gz GOQUUAUFXPQVAY-ONGXEEELSA-N -1 3 383.405 0.419 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000820533599 607136284 /nfs/dbraw/zinc/13/62/84/607136284.db2.gz GOQUUAUFXPQVAY-ONGXEEELSA-N -1 3 383.405 0.419 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000821651566 607142502 /nfs/dbraw/zinc/14/25/02/607142502.db2.gz BLWKZYSBEBHMCU-MRXNPFEDSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000821651566 607142503 /nfs/dbraw/zinc/14/25/03/607142503.db2.gz BLWKZYSBEBHMCU-MRXNPFEDSA-N -1 3 392.803 0.870 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821367797 607144036 /nfs/dbraw/zinc/14/40/36/607144036.db2.gz NDLROSUNXSQOJC-YPMHNXCESA-N -1 3 377.401 0.671 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821367797 607144038 /nfs/dbraw/zinc/14/40/38/607144038.db2.gz NDLROSUNXSQOJC-YPMHNXCESA-N -1 3 377.401 0.671 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)cc1F)C1CCS(=O)(=O)CC1 ZINC000823614967 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399.390 0.475 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826452876 607774866 /nfs/dbraw/zinc/77/48/66/607774866.db2.gz MOKLAYSAUIWSIU-LLVKDONJSA-N -1 3 399.390 0.475 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H]1C[C@@H](C)O ZINC000825621230 607775763 /nfs/dbraw/zinc/77/57/63/607775763.db2.gz QEICXDJVFJHEGZ-YPMHNXCESA-N -1 3 388.428 0.966 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H]1C[C@@H](C)O ZINC000825621230 607775764 /nfs/dbraw/zinc/77/57/64/607775764.db2.gz QEICXDJVFJHEGZ-YPMHNXCESA-N -1 3 388.428 0.966 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H]1C[C@H](C)O ZINC000825621227 607775887 /nfs/dbraw/zinc/77/58/87/607775887.db2.gz QEICXDJVFJHEGZ-AAEUAGOBSA-N -1 3 388.428 0.966 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H]1C[C@H](C)O ZINC000825621227 607775888 /nfs/dbraw/zinc/77/58/88/607775888.db2.gz QEICXDJVFJHEGZ-AAEUAGOBSA-N -1 3 388.428 0.966 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H]1C[C@H](C)O ZINC000825621229 607775965 /nfs/dbraw/zinc/77/59/65/607775965.db2.gz QEICXDJVFJHEGZ-WCQYABFASA-N -1 3 388.428 0.966 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1C[C@H](C)O ZINC000825621229 607775966 /nfs/dbraw/zinc/77/59/66/607775966.db2.gz QEICXDJVFJHEGZ-WCQYABFASA-N -1 3 388.428 0.966 20 0 GCADHM O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826434621 607776189 /nfs/dbraw/zinc/77/61/89/607776189.db2.gz RULYNPDNLTVENC-LJQANCHMSA-N -1 3 378.392 0.755 20 0 GCADHM O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826434621 607776190 /nfs/dbraw/zinc/77/61/90/607776190.db2.gz RULYNPDNLTVENC-LJQANCHMSA-N -1 3 378.392 0.755 20 0 GCADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(=O)N[C@H]1CCOC1 ZINC000826455293 607776221 /nfs/dbraw/zinc/77/62/21/607776221.db2.gz IBOSSIOTLZIJJM-ZDUSSCGKSA-N -1 3 395.379 0.898 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826438093 607781833 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C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000824745252 607794335 /nfs/dbraw/zinc/79/43/35/607794335.db2.gz PXOLAARJJBGSMV-NEPJUHHUSA-N -1 3 394.457 0.032 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000824745252 607794336 /nfs/dbraw/zinc/79/43/36/607794336.db2.gz PXOLAARJJBGSMV-NEPJUHHUSA-N -1 3 394.457 0.032 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000826223250 607794832 /nfs/dbraw/zinc/79/48/32/607794832.db2.gz GQIVBJOPSXFIEG-QMMMGPOBSA-N -1 3 386.384 0.156 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000826223250 607794833 /nfs/dbraw/zinc/79/48/33/607794833.db2.gz GQIVBJOPSXFIEG-QMMMGPOBSA-N -1 3 386.384 0.156 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826223141 607795861 /nfs/dbraw/zinc/79/58/61/607795861.db2.gz CHHAZLORGJIJSS-SECBINFHSA-N -1 3 386.384 0.299 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826223141 607795862 /nfs/dbraw/zinc/79/58/62/607795862.db2.gz CHHAZLORGJIJSS-SECBINFHSA-N -1 3 386.384 0.299 20 0 GCADHM CS(=O)(=O)CCN(CCC(=O)Nc1sccc1-c1nnn[n-]1)C1CC1 ZINC000826223038 607801570 /nfs/dbraw/zinc/80/15/70/607801570.db2.gz YYMSYRHDIHZARR-UHFFFAOYSA-N -1 3 384.487 0.766 20 0 GCADHM CS(=O)(=O)CCN(CCC(=O)Nc1sccc1-c1nn[n-]n1)C1CC1 ZINC000826223038 607801571 /nfs/dbraw/zinc/80/15/71/607801571.db2.gz YYMSYRHDIHZARR-UHFFFAOYSA-N -1 3 384.487 0.766 20 0 GCADHM CS(=O)(=O)CCN(CCC(=O)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000826222655 607801577 /nfs/dbraw/zinc/80/15/77/607801577.db2.gz GHTQVZLWZHTJEK-UHFFFAOYSA-N -1 3 378.458 0.704 20 0 GCADHM CS(=O)(=O)CCN(CCC(=O)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000826222655 607801578 /nfs/dbraw/zinc/80/15/78/607801578.db2.gz GHTQVZLWZHTJEK-UHFFFAOYSA-N -1 3 378.458 0.704 20 0 GCADHM CS(=O)(=O)CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826222742 607801620 /nfs/dbraw/zinc/80/16/20/607801620.db2.gz KYTCQWCWSSAANY-UHFFFAOYSA-N -1 3 381.483 0.994 20 0 GCADHM CS(=O)(=O)CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826222742 607801621 /nfs/dbraw/zinc/80/16/21/607801621.db2.gz KYTCQWCWSSAANY-UHFFFAOYSA-N -1 3 381.483 0.994 20 0 GCADHM CS(=O)(=O)CCN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826223035 607801748 /nfs/dbraw/zinc/80/17/48/607801748.db2.gz YXAFONFJRLIWCE-AWEZNQCLSA-N -1 3 381.458 0.115 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000826186243 607803322 /nfs/dbraw/zinc/80/33/22/607803322.db2.gz KRHKQDSQXRLPNK-JTQLQIEISA-N -1 3 395.445 0.278 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000826186243 607803323 /nfs/dbraw/zinc/80/33/23/607803323.db2.gz KRHKQDSQXRLPNK-JTQLQIEISA-N -1 3 395.445 0.278 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826223724 607804053 /nfs/dbraw/zinc/80/40/53/607804053.db2.gz XTYABXQMFFVITP-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826223724 607804054 /nfs/dbraw/zinc/80/40/54/607804054.db2.gz XTYABXQMFFVITP-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM C[C@H](Oc1cccc(CO)c1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824737308 607804775 /nfs/dbraw/zinc/80/47/75/607804775.db2.gz DYEMXEJJQOHMDB-MEDUHNTESA-N -1 3 397.391 0.896 20 0 GCADHM C[C@H](Oc1cccc(CO)c1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824737308 607804776 /nfs/dbraw/zinc/80/47/76/607804776.db2.gz DYEMXEJJQOHMDB-MEDUHNTESA-N -1 3 397.391 0.896 20 0 GCADHM Cn1c2cccc(NC(=O)C(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2oc1=O ZINC000826354757 607804957 /nfs/dbraw/zinc/80/49/57/607804957.db2.gz TZOUUIYXSFDFRL-UHFFFAOYSA-N -1 3 393.363 0.567 20 0 GCADHM Cn1c2cccc(NC(=O)C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2oc1=O ZINC000826354757 607804958 /nfs/dbraw/zinc/80/49/58/607804958.db2.gz TZOUUIYXSFDFRL-UHFFFAOYSA-N -1 3 393.363 0.567 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826452361 607805749 /nfs/dbraw/zinc/80/57/49/607805749.db2.gz QQRCKNMHPUQMII-UHFFFAOYSA-N -1 3 381.400 0.336 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826452361 607805750 /nfs/dbraw/zinc/80/57/50/607805750.db2.gz QQRCKNMHPUQMII-UHFFFAOYSA-N -1 3 381.400 0.336 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC2(CC(F)C2)C1 ZINC000824632974 607806879 /nfs/dbraw/zinc/80/68/79/607806879.db2.gz GANORENKMPTPEA-SNVBAGLBSA-N -1 3 394.432 0.494 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC2(CC(F)C2)C1 ZINC000824632974 607806880 /nfs/dbraw/zinc/80/68/80/607806880.db2.gz GANORENKMPTPEA-SNVBAGLBSA-N -1 3 394.432 0.494 20 0 GCADHM CCS(=O)(=O)NCCCSCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825663912 607807841 /nfs/dbraw/zinc/80/78/41/607807841.db2.gz ZRKCUKAWQUHREC-UHFFFAOYSA-N -1 3 384.487 0.868 20 0 GCADHM CCS(=O)(=O)NCCCSCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825663912 607807842 /nfs/dbraw/zinc/80/78/42/607807842.db2.gz ZRKCUKAWQUHREC-UHFFFAOYSA-N -1 3 384.487 0.868 20 0 GCADHM CC(C)C1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824632550 607808510 /nfs/dbraw/zinc/80/85/10/607808510.db2.gz BCGMWQVRCIKUKX-LLVKDONJSA-N -1 3 378.458 0.648 20 0 GCADHM CC(C)C1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824632550 607808511 /nfs/dbraw/zinc/80/85/11/607808511.db2.gz BCGMWQVRCIKUKX-LLVKDONJSA-N -1 3 378.458 0.648 20 0 GCADHM CCN(CCS(C)(=O)=O)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000825424930 607808662 /nfs/dbraw/zinc/80/86/62/607808662.db2.gz UAXBPBFLAXSJJX-UHFFFAOYSA-N -1 3 383.430 0.147 20 0 GCADHM CCN(CCS(C)(=O)=O)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000825424930 607808663 /nfs/dbraw/zinc/80/86/63/607808663.db2.gz UAXBPBFLAXSJJX-UHFFFAOYSA-N -1 3 383.430 0.147 20 0 GCADHM CCc1nnc(NC[C@@H]2CCN(S(C)(=O)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000825767244 607809212 /nfs/dbraw/zinc/80/92/12/607809212.db2.gz HYEILHOTZHQVBJ-JTQLQIEISA-N -1 3 380.478 0.475 20 0 GCADHM CCc1nnc(NC[C@@H]2CCN(S(C)(=O)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000825767244 607809213 /nfs/dbraw/zinc/80/92/13/607809213.db2.gz HYEILHOTZHQVBJ-JTQLQIEISA-N -1 3 380.478 0.475 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826488570 607812093 /nfs/dbraw/zinc/81/20/93/607812093.db2.gz TUGDKJIOBSYAFC-LLVKDONJSA-N -1 3 389.416 0.958 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826488570 607812094 /nfs/dbraw/zinc/81/20/94/607812094.db2.gz TUGDKJIOBSYAFC-LLVKDONJSA-N -1 3 389.416 0.958 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000826279438 607812126 /nfs/dbraw/zinc/81/21/26/607812126.db2.gz PRSLVOJBFGDJKR-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000826279438 607812127 /nfs/dbraw/zinc/81/21/27/607812127.db2.gz PRSLVOJBFGDJKR-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826488575 607812214 /nfs/dbraw/zinc/81/22/14/607812214.db2.gz TVYMTAMNFZLPMM-LBPRGKRZSA-N -1 3 389.416 0.958 20 0 GCADHM O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488575 607812215 /nfs/dbraw/zinc/81/22/15/607812215.db2.gz TVYMTAMNFZLPMM-LBPRGKRZSA-N -1 3 389.416 0.958 20 0 GCADHM O=S(=O)(CCN1CCN(c2ccccn2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484689 607814282 /nfs/dbraw/zinc/81/42/82/607814282.db2.gz LMYBGXUPIJFAMC-UHFFFAOYSA-N -1 3 399.480 0.858 20 0 GCADHM O=S(=O)(CCN1CCN(c2ccccn2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484689 607814283 /nfs/dbraw/zinc/81/42/83/607814283.db2.gz LMYBGXUPIJFAMC-UHFFFAOYSA-N -1 3 399.480 0.858 20 0 GCADHM O=C1CC2(CCCC2)C(=O)N1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826479333 607814711 /nfs/dbraw/zinc/81/47/11/607814711.db2.gz WSBFCZIPTNGYRL-UHFFFAOYSA-N -1 3 389.437 0.960 20 0 GCADHM O=C1CC2(CCCC2)C(=O)N1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826479333 607814712 /nfs/dbraw/zinc/81/47/12/607814712.db2.gz WSBFCZIPTNGYRL-UHFFFAOYSA-N -1 3 389.437 0.960 20 0 GCADHM COC(=O)[C@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826133056 607814918 /nfs/dbraw/zinc/81/49/18/607814918.db2.gz JGTJXWJCCZYAPA-CQSZACIVSA-N -1 3 379.442 0.668 20 0 GCADHM COC(=O)[C@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826133056 607814919 /nfs/dbraw/zinc/81/49/19/607814919.db2.gz JGTJXWJCCZYAPA-CQSZACIVSA-N -1 3 379.442 0.668 20 0 GCADHM CCC(=O)N1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825035250 607815335 /nfs/dbraw/zinc/81/53/35/607815335.db2.gz YVSAENOCHVSBGX-UHFFFAOYSA-N -1 3 392.485 0.585 20 0 GCADHM CCC(=O)N1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825035250 607815336 /nfs/dbraw/zinc/81/53/36/607815336.db2.gz YVSAENOCHVSBGX-UHFFFAOYSA-N -1 3 392.485 0.585 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826487114 607818749 /nfs/dbraw/zinc/81/87/49/607818749.db2.gz DHWKKGAMLFQZRR-ZBFHGGJFSA-N -1 3 389.437 0.630 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826487114 607818750 /nfs/dbraw/zinc/81/87/50/607818750.db2.gz DHWKKGAMLFQZRR-ZBFHGGJFSA-N -1 3 389.437 0.630 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826437923 607823400 /nfs/dbraw/zinc/82/34/00/607823400.db2.gz HPBUUSVYWNTKLR-BNOWGMLFSA-N -1 3 384.444 0.930 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826437923 607823401 /nfs/dbraw/zinc/82/34/01/607823401.db2.gz HPBUUSVYWNTKLR-BNOWGMLFSA-N -1 3 384.444 0.930 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000826158218 607823484 /nfs/dbraw/zinc/82/34/84/607823484.db2.gz GFNNMJIUMGUIAA-LBPRGKRZSA-N -1 3 396.473 0.458 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000826158218 607823485 /nfs/dbraw/zinc/82/34/85/607823485.db2.gz GFNNMJIUMGUIAA-LBPRGKRZSA-N -1 3 396.473 0.458 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000825517820 607824342 /nfs/dbraw/zinc/82/43/42/607824342.db2.gz NUKKPXBMARUYCF-UHFFFAOYSA-N -1 3 398.379 0.609 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000825517820 607824343 /nfs/dbraw/zinc/82/43/43/607824343.db2.gz NUKKPXBMARUYCF-UHFFFAOYSA-N -1 3 398.379 0.609 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)COc2ccccc2-c2nnn[n-]2)c1=O ZINC000825517600 607824399 /nfs/dbraw/zinc/82/43/99/607824399.db2.gz HICYUEZZSLMCJS-UHFFFAOYSA-N -1 3 398.379 0.609 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)COc2ccccc2-c2nn[n-]n2)c1=O ZINC000825517600 607824400 /nfs/dbraw/zinc/82/44/00/607824400.db2.gz HICYUEZZSLMCJS-UHFFFAOYSA-N -1 3 398.379 0.609 20 0 GCADHM C[C@H](CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000824420925 607825191 /nfs/dbraw/zinc/82/51/91/607825191.db2.gz QHEPWPZQKBIKKN-GFCCVEGCSA-N -1 3 381.458 0.965 20 0 GCADHM C[C@H](CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000824420925 607825192 /nfs/dbraw/zinc/82/51/92/607825192.db2.gz QHEPWPZQKBIKKN-GFCCVEGCSA-N -1 3 381.458 0.965 20 0 GCADHM CCN1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[C@@H]1C ZINC000825460485 607825833 /nfs/dbraw/zinc/82/58/33/607825833.db2.gz YRHLUVQOYTVQTM-LBPRGKRZSA-N -1 3 381.444 0.801 20 0 GCADHM CCCNC(=O)CN(CCC)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825327958 607827218 /nfs/dbraw/zinc/82/72/18/607827218.db2.gz MXEQODAADMPIGJ-UHFFFAOYSA-N -1 3 394.501 0.879 20 0 GCADHM CCCNC(=O)CN(CCC)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825327958 607827219 /nfs/dbraw/zinc/82/72/19/607827219.db2.gz MXEQODAADMPIGJ-UHFFFAOYSA-N -1 3 394.501 0.879 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)CC(=O)N1CCCC1 ZINC000825946226 607827502 /nfs/dbraw/zinc/82/75/02/607827502.db2.gz OSPWZGIYPPOTRR-UHFFFAOYSA-N -1 3 378.458 0.195 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)CC(=O)N1CCCC1 ZINC000825946226 607827503 /nfs/dbraw/zinc/82/75/03/607827503.db2.gz OSPWZGIYPPOTRR-UHFFFAOYSA-N -1 3 378.458 0.195 20 0 GCADHM CC(C)(O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824172300 607827622 /nfs/dbraw/zinc/82/76/22/607827622.db2.gz JYLCLSCYGAUGCJ-UHFFFAOYSA-N -1 3 394.501 0.029 20 0 GCADHM CC(C)(O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824172300 607827623 /nfs/dbraw/zinc/82/76/23/607827623.db2.gz JYLCLSCYGAUGCJ-UHFFFAOYSA-N -1 3 394.501 0.029 20 0 GCADHM O=S(=O)(CCN1CCCC[C@@H]1C1OCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484458 607828249 /nfs/dbraw/zinc/82/82/49/607828249.db2.gz DMQJUKOHZZIALN-OAHLLOKOSA-N -1 3 393.469 0.868 20 0 GCADHM O=S(=O)(CCN1CCCC[C@@H]1C1OCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484458 607828250 /nfs/dbraw/zinc/82/82/50/607828250.db2.gz DMQJUKOHZZIALN-OAHLLOKOSA-N -1 3 393.469 0.868 20 0 GCADHM O=S(=O)(CCN1CCC[C@H](C2OCCO2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484441 607828491 /nfs/dbraw/zinc/82/84/91/607828491.db2.gz DAJGREXKXVWQFJ-AWEZNQCLSA-N -1 3 393.469 0.725 20 0 GCADHM O=S(=O)(CCN1CCC[C@H](C2OCCO2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484441 607828492 /nfs/dbraw/zinc/82/84/92/607828492.db2.gz DAJGREXKXVWQFJ-AWEZNQCLSA-N -1 3 393.469 0.725 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824858924 607828643 /nfs/dbraw/zinc/82/86/43/607828643.db2.gz MYTKUUBNXBHBNI-DIADJTQKSA-N -1 3 383.499 0.482 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824858924 607828644 /nfs/dbraw/zinc/82/86/44/607828644.db2.gz MYTKUUBNXBHBNI-DIADJTQKSA-N -1 3 383.499 0.482 20 0 GCADHM NC(=O)C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826391127 607829100 /nfs/dbraw/zinc/82/91/00/607829100.db2.gz XNUCRQUTWPBSHP-LBPRGKRZSA-N -1 3 378.458 0.228 20 0 GCADHM NC(=O)C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826391127 607829101 /nfs/dbraw/zinc/82/91/01/607829101.db2.gz XNUCRQUTWPBSHP-LBPRGKRZSA-N -1 3 378.458 0.228 20 0 GCADHM NC(=O)C[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826391126 607829193 /nfs/dbraw/zinc/82/91/93/607829193.db2.gz XNUCRQUTWPBSHP-GFCCVEGCSA-N -1 3 378.458 0.228 20 0 GCADHM NC(=O)C[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826391126 607829194 /nfs/dbraw/zinc/82/91/94/607829194.db2.gz XNUCRQUTWPBSHP-GFCCVEGCSA-N -1 3 378.458 0.228 20 0 GCADHM O=S(=O)(CCN1CC[C@](O)(C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484567 607829428 /nfs/dbraw/zinc/82/94/28/607829428.db2.gz HQOYUPBXGBKUPA-CYBMUJFWSA-N -1 3 391.375 0.640 20 0 GCADHM O=S(=O)(CCN1CC[C@](O)(C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484567 607829429 /nfs/dbraw/zinc/82/94/29/607829429.db2.gz HQOYUPBXGBKUPA-CYBMUJFWSA-N -1 3 391.375 0.640 20 0 GCADHM CCN(CCS(C)(=O)=O)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825424738 607829662 /nfs/dbraw/zinc/82/96/62/607829662.db2.gz PHIHRAIQHYPHKB-UHFFFAOYSA-N -1 3 387.487 0.007 20 0 GCADHM CCN(CCS(C)(=O)=O)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825424738 607829663 /nfs/dbraw/zinc/82/96/63/607829663.db2.gz PHIHRAIQHYPHKB-UHFFFAOYSA-N -1 3 387.487 0.007 20 0 GCADHM CCOC(=O)[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825499899 607829804 /nfs/dbraw/zinc/82/98/04/607829804.db2.gz XKRVECCVKHKARU-AWEZNQCLSA-N -1 3 393.469 0.916 20 0 GCADHM CCOC(=O)[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825499899 607829805 /nfs/dbraw/zinc/82/98/05/607829805.db2.gz XKRVECCVKHKARU-AWEZNQCLSA-N -1 3 393.469 0.916 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@H]2N1 ZINC000826481040 607830125 /nfs/dbraw/zinc/83/01/25/607830125.db2.gz CZHHXWDMTFPURQ-HUUCEWRRSA-N -1 3 390.469 0.383 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@H]2N1 ZINC000826481040 607830126 /nfs/dbraw/zinc/83/01/26/607830126.db2.gz CZHHXWDMTFPURQ-HUUCEWRRSA-N -1 3 390.469 0.383 20 0 GCADHM COCCn1nc(C)c(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000826163588 607835789 /nfs/dbraw/zinc/83/57/89/607835789.db2.gz BAMHMUQEEGGTCJ-UHFFFAOYSA-N -1 3 398.427 0.581 20 0 GCADHM COCCn1nc(C)c(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826163588 607835790 /nfs/dbraw/zinc/83/57/90/607835790.db2.gz BAMHMUQEEGGTCJ-UHFFFAOYSA-N -1 3 398.427 0.581 20 0 GCADHM CC[C@@H](CCOC)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825114726 607836816 /nfs/dbraw/zinc/83/68/16/607836816.db2.gz PJAVDFDWKIEXEX-YPMHNXCESA-N -1 3 397.457 0.892 20 0 GCADHM CC[C@@H](CCOC)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825114726 607836817 /nfs/dbraw/zinc/83/68/17/607836817.db2.gz PJAVDFDWKIEXEX-YPMHNXCESA-N -1 3 397.457 0.892 20 0 GCADHM O=C(Cn1nc(C(F)(F)F)ccc1=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826425756 607846413 /nfs/dbraw/zinc/84/64/13/607846413.db2.gz RRPDRKHJAIAPEL-UHFFFAOYSA-N -1 3 379.302 0.759 20 0 GCADHM O=C(Cn1nc(C(F)(F)F)ccc1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826425756 607846414 /nfs/dbraw/zinc/84/64/14/607846414.db2.gz RRPDRKHJAIAPEL-UHFFFAOYSA-N -1 3 379.302 0.759 20 0 GCADHM O=c1cc(Cn2nc(C(F)(F)F)ccc2=O)[nH]c2c(-c3nnn[n-]3)cnn21 ZINC000826502233 607846647 /nfs/dbraw/zinc/84/66/47/607846647.db2.gz ZRDYVEYQWYTRKX-UHFFFAOYSA-N -1 3 379.262 0.239 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC000826145770 607852566 /nfs/dbraw/zinc/85/25/66/607852566.db2.gz LWHFDXSSMDWOAJ-OAGGEKHMSA-N -1 3 393.469 0.965 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC000826145770 607852567 /nfs/dbraw/zinc/85/25/67/607852567.db2.gz LWHFDXSSMDWOAJ-OAGGEKHMSA-N -1 3 393.469 0.965 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)[C@H]2C1 ZINC000826145535 607852747 /nfs/dbraw/zinc/85/27/47/607852747.db2.gz IKTJJHDRZYMJKM-KWCYVHTRSA-N -1 3 397.432 0.963 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)NC[C@@]1(O)CCOC1 ZINC000826439083 607858712 /nfs/dbraw/zinc/85/87/12/607858712.db2.gz DSNQIOUQUKMKNK-INIZCTEOSA-N -1 3 378.458 0.551 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)NC[C@@]1(O)CCOC1 ZINC000826439083 607858713 /nfs/dbraw/zinc/85/87/13/607858713.db2.gz DSNQIOUQUKMKNK-INIZCTEOSA-N -1 3 378.458 0.551 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@@H](CO)CC1CC1 ZINC000826451792 607860098 /nfs/dbraw/zinc/86/00/98/607860098.db2.gz WPTFJDWWKJJSEQ-SNVBAGLBSA-N -1 3 396.354 0.684 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@@H](CO)CC1CC1 ZINC000826451792 607860099 /nfs/dbraw/zinc/86/00/99/607860099.db2.gz WPTFJDWWKJJSEQ-SNVBAGLBSA-N -1 3 396.354 0.684 20 0 GCADHM O=C(NC[C@@]1(O)CCOC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826434092 607862356 /nfs/dbraw/zinc/86/23/56/607862356.db2.gz BSYCOJPXOCTXPO-SFHVURJKSA-N -1 3 382.380 0.935 20 0 GCADHM O=C(NC[C@@]1(O)CCOC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826434092 607862357 /nfs/dbraw/zinc/86/23/57/607862357.db2.gz BSYCOJPXOCTXPO-SFHVURJKSA-N -1 3 382.380 0.935 20 0 GCADHM CC(C)CN1CCO[C@@H](CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824261876 607864192 /nfs/dbraw/zinc/86/41/92/607864192.db2.gz SODHETSVINNKHW-ZDUSSCGKSA-N -1 3 392.435 0.858 20 0 GCADHM CCOC(=O)c1cnn(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000825569939 607865851 /nfs/dbraw/zinc/86/58/51/607865851.db2.gz CHRZXIXXELFGOO-UHFFFAOYSA-N -1 3 383.416 0.415 20 0 GCADHM CCOC(=O)c1cnn(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000825569939 607865852 /nfs/dbraw/zinc/86/58/52/607865852.db2.gz CHRZXIXXELFGOO-UHFFFAOYSA-N -1 3 383.416 0.415 20 0 GCADHM O=C(CCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)NC1CCCC1 ZINC000826405050 607885765 /nfs/dbraw/zinc/88/57/65/607885765.db2.gz UGGZNAZSTKRYHL-UHFFFAOYSA-N -1 3 398.471 0.749 20 0 GCADHM O=C(CCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)NC1CCCC1 ZINC000826405050 607885766 /nfs/dbraw/zinc/88/57/66/607885766.db2.gz UGGZNAZSTKRYHL-UHFFFAOYSA-N -1 3 398.471 0.749 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cccc(-n2ccnn2)c1 ZINC000826438754 607886238 /nfs/dbraw/zinc/88/62/38/607886238.db2.gz PLTGJRBLDJCMPY-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cccc(-n2ccnn2)c1 ZINC000826438754 607886239 /nfs/dbraw/zinc/88/62/39/607886239.db2.gz PLTGJRBLDJCMPY-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN(C)c2ccccc2-c2nnn[n-]2)C1=O ZINC000825176382 607889389 /nfs/dbraw/zinc/88/93/89/607889389.db2.gz RLLLUAGJXAUSDT-SFHVURJKSA-N -1 3 395.427 0.851 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN(C)c2ccccc2-c2nn[n-]n2)C1=O ZINC000825176382 607889390 /nfs/dbraw/zinc/88/93/90/607889390.db2.gz RLLLUAGJXAUSDT-SFHVURJKSA-N -1 3 395.427 0.851 20 0 GCADHM COCCN(Cc1nccc(C)n1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826159558 607890430 /nfs/dbraw/zinc/89/04/30/607890430.db2.gz JZMINVTUHIZXCA-UHFFFAOYSA-N -1 3 389.441 0.802 20 0 GCADHM COCCN(Cc1nccc(C)n1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826159558 607890431 /nfs/dbraw/zinc/89/04/31/607890431.db2.gz JZMINVTUHIZXCA-UHFFFAOYSA-N -1 3 389.441 0.802 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(CCOc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825176231 607893092 /nfs/dbraw/zinc/89/30/92/607893092.db2.gz LHSQLBOCGJESRF-GOSISDBHSA-N -1 3 396.411 0.836 20 0 GCADHM O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826409527 607894338 /nfs/dbraw/zinc/89/43/38/607894338.db2.gz DEXMHSVMAUBESW-HNNXBMFYSA-N -1 3 391.775 0.170 20 0 GCADHM O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826409527 607894339 /nfs/dbraw/zinc/89/43/39/607894339.db2.gz DEXMHSVMAUBESW-HNNXBMFYSA-N -1 3 391.775 0.170 20 0 GCADHM NS(=O)(=O)[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000826394682 607899594 /nfs/dbraw/zinc/89/95/94/607899594.db2.gz UKTSVVUPPZMJAK-SECBINFHSA-N -1 3 379.833 0.936 20 0 GCADHM NS(=O)(=O)[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000826394682 607899595 /nfs/dbraw/zinc/89/95/95/607899595.db2.gz UKTSVVUPPZMJAK-SECBINFHSA-N -1 3 379.833 0.936 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825213162 607906972 /nfs/dbraw/zinc/90/69/72/607906972.db2.gz VZVAMJOQEMDCSV-BXUZGUMPSA-N -1 3 396.448 0.931 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825210893 607907014 /nfs/dbraw/zinc/90/70/14/607907014.db2.gz JZQSESOIEGUJBS-NHYWBVRUSA-N -1 3 396.448 0.931 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825210893 607907015 /nfs/dbraw/zinc/90/70/15/607907015.db2.gz JZQSESOIEGUJBS-NHYWBVRUSA-N -1 3 396.448 0.931 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826067094 607907748 /nfs/dbraw/zinc/90/77/48/607907748.db2.gz ATLURZMHEGQCLO-NSHDSACASA-N -1 3 386.865 0.959 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826067094 607907749 /nfs/dbraw/zinc/90/77/49/607907749.db2.gz ATLURZMHEGQCLO-NSHDSACASA-N -1 3 386.865 0.959 20 0 GCADHM CC1=CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824851600 607911496 /nfs/dbraw/zinc/91/14/96/607911496.db2.gz AVVQNNRXWKEVJA-LBPRGKRZSA-N -1 3 376.442 0.712 20 0 GCADHM CC1=CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824851600 607911497 /nfs/dbraw/zinc/91/14/97/607911497.db2.gz AVVQNNRXWKEVJA-LBPRGKRZSA-N -1 3 376.442 0.712 20 0 GCADHM Cn1ccnc1[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826363957 607915343 /nfs/dbraw/zinc/91/53/43/607915343.db2.gz GSWPBOCYTXMPCB-AWEZNQCLSA-N -1 3 380.412 0.346 20 0 GCADHM Cn1ccnc1[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826363957 607915344 /nfs/dbraw/zinc/91/53/44/607915344.db2.gz GSWPBOCYTXMPCB-AWEZNQCLSA-N -1 3 380.412 0.346 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825659603 607922404 /nfs/dbraw/zinc/92/24/04/607922404.db2.gz WHWPOMVGLUFRDC-LLVKDONJSA-N -1 3 381.458 0.908 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825659603 607922405 /nfs/dbraw/zinc/92/24/05/607922405.db2.gz WHWPOMVGLUFRDC-LLVKDONJSA-N -1 3 381.458 0.908 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1csc([C@H]2CCCO2)n1 ZINC000826395837 607923792 /nfs/dbraw/zinc/92/37/92/607923792.db2.gz UVXYXRHWVKWJPA-SNVBAGLBSA-N -1 3 376.402 0.810 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1csc([C@H]2CCCO2)n1 ZINC000826395837 607923793 /nfs/dbraw/zinc/92/37/93/607923793.db2.gz UVXYXRHWVKWJPA-SNVBAGLBSA-N -1 3 376.402 0.810 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823981049 607926026 /nfs/dbraw/zinc/92/60/26/607926026.db2.gz KGWGJQZBQKRCMA-INIZCTEOSA-N -1 3 398.471 0.748 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823981049 607926027 /nfs/dbraw/zinc/92/60/27/607926027.db2.gz KGWGJQZBQKRCMA-INIZCTEOSA-N -1 3 398.471 0.748 20 0 GCADHM CS(=O)(=O)CC1(COC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000826222275 607926701 /nfs/dbraw/zinc/92/67/01/607926701.db2.gz QBSKKQLWAGGXAF-UHFFFAOYSA-N -1 3 380.426 0.865 20 0 GCADHM CS(=O)(=O)CC1(COC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000826222275 607926702 /nfs/dbraw/zinc/92/67/02/607926702.db2.gz QBSKKQLWAGGXAF-UHFFFAOYSA-N -1 3 380.426 0.865 20 0 GCADHM C[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824716259 607929498 /nfs/dbraw/zinc/92/94/98/607929498.db2.gz XHTLMXDTPKYSKW-QWRGUYRKSA-N -1 3 391.409 0.685 20 0 GCADHM C[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824716259 607929499 /nfs/dbraw/zinc/92/94/99/607929499.db2.gz XHTLMXDTPKYSKW-QWRGUYRKSA-N -1 3 391.409 0.685 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCNC(=O)C(C)C ZINC000826185390 607929576 /nfs/dbraw/zinc/92/95/76/607929576.db2.gz JAYXXVYPZSEYQN-UHFFFAOYSA-N -1 3 389.416 0.092 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCNC(=O)C(C)C ZINC000826185390 607929577 /nfs/dbraw/zinc/92/95/77/607929577.db2.gz JAYXXVYPZSEYQN-UHFFFAOYSA-N -1 3 389.416 0.092 20 0 GCADHM O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826421458 607929627 /nfs/dbraw/zinc/92/96/27/607929627.db2.gz IXFQFDLDTMCIAE-LBPRGKRZSA-N -1 3 387.429 0.763 20 0 GCADHM O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826421458 607929628 /nfs/dbraw/zinc/92/96/28/607929628.db2.gz IXFQFDLDTMCIAE-LBPRGKRZSA-N -1 3 387.429 0.763 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@H](c3nccn3C)C2)cccc1-c1nnn[n-]1 ZINC000826241157 607929756 /nfs/dbraw/zinc/92/97/56/607929756.db2.gz SWTNIEDEGGFEPP-LBPRGKRZSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@H](c3nccn3C)C2)cccc1-c1nn[n-]n1 ZINC000826241157 607929757 /nfs/dbraw/zinc/92/97/57/607929757.db2.gz SWTNIEDEGGFEPP-LBPRGKRZSA-N -1 3 380.412 0.863 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000826359108 607944177 /nfs/dbraw/zinc/94/41/77/607944177.db2.gz WBVUFDKTWQEQPS-GFCCVEGCSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000826359108 607944178 /nfs/dbraw/zinc/94/41/78/607944178.db2.gz WBVUFDKTWQEQPS-GFCCVEGCSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000826358637 607944216 /nfs/dbraw/zinc/94/42/16/607944216.db2.gz BPHUGWALNDNATA-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000826358637 607944217 /nfs/dbraw/zinc/94/42/17/607944217.db2.gz BPHUGWALNDNATA-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826453356 607944291 /nfs/dbraw/zinc/94/42/91/607944291.db2.gz IIKXGLZHHBXPCI-SSDOTTSWSA-N -1 3 376.270 0.374 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826453356 607944292 /nfs/dbraw/zinc/94/42/92/607944292.db2.gz IIKXGLZHHBXPCI-SSDOTTSWSA-N -1 3 376.270 0.374 20 0 GCADHM Cn1c2cccc(C(=O)OCCNc3ncccc3-c3nnn[n-]3)c2oc1=O ZINC000826354657 607944813 /nfs/dbraw/zinc/94/48/13/607944813.db2.gz OZKAWRRUXJRYID-UHFFFAOYSA-N -1 3 381.352 0.976 20 0 GCADHM Cn1c2cccc(C(=O)OCCNc3ncccc3-c3nn[n-]n3)c2oc1=O ZINC000826354657 607944814 /nfs/dbraw/zinc/94/48/14/607944814.db2.gz OZKAWRRUXJRYID-UHFFFAOYSA-N -1 3 381.352 0.976 20 0 GCADHM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826341094 607947406 /nfs/dbraw/zinc/94/74/06/607947406.db2.gz WKXYVTWADPDCFQ-UHFFFAOYSA-N -1 3 388.409 0.927 20 0 GCADHM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826341094 607947407 /nfs/dbraw/zinc/94/74/07/607947407.db2.gz WKXYVTWADPDCFQ-UHFFFAOYSA-N -1 3 388.409 0.927 20 0 GCADHM O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826399056 607951167 /nfs/dbraw/zinc/95/11/67/607951167.db2.gz LRCHDOBBIONJHL-MRXNPFEDSA-N -1 3 397.420 0.486 20 0 GCADHM O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826399056 607951168 /nfs/dbraw/zinc/95/11/68/607951168.db2.gz LRCHDOBBIONJHL-MRXNPFEDSA-N -1 3 397.420 0.486 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)cnc21 ZINC000826354721 607953500 /nfs/dbraw/zinc/95/35/00/607953500.db2.gz RYJLJHIKMIWHDF-UHFFFAOYSA-N -1 3 390.363 0.417 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)cnc21 ZINC000826354721 607953501 /nfs/dbraw/zinc/95/35/01/607953501.db2.gz RYJLJHIKMIWHDF-UHFFFAOYSA-N -1 3 390.363 0.417 20 0 GCADHM Cc1sc(NC(=O)CN2CCN([C@@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1C ZINC000826349377 607957862 /nfs/dbraw/zinc/95/78/62/607957862.db2.gz GFYZEIBIKJLGCM-CYBMUJFWSA-N -1 3 391.501 0.890 20 0 GCADHM Cc1sc(NC(=O)CN2CCN([C@@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1C ZINC000826349377 607957863 /nfs/dbraw/zinc/95/78/63/607957863.db2.gz GFYZEIBIKJLGCM-CYBMUJFWSA-N -1 3 391.501 0.890 20 0 GCADHM C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccncc1 ZINC000824712535 607959217 /nfs/dbraw/zinc/95/92/17/607959217.db2.gz ARIDRPMZHJAPER-LLVKDONJSA-N -1 3 388.409 0.844 20 0 GCADHM C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccncc1 ZINC000824712535 607959218 /nfs/dbraw/zinc/95/92/18/607959218.db2.gz ARIDRPMZHJAPER-LLVKDONJSA-N -1 3 388.409 0.844 20 0 GCADHM NC(=O)COc1ccccc1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826391666 607960474 /nfs/dbraw/zinc/96/04/74/607960474.db2.gz WDQBJHXWPDSBSL-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM NC(=O)COc1ccccc1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826391666 607960475 /nfs/dbraw/zinc/96/04/75/607960475.db2.gz WDQBJHXWPDSBSL-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM S=C(NC[C@H]1CCCCO1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826511145 607967080 /nfs/dbraw/zinc/96/70/80/607967080.db2.gz DGZIWNLMGWHXDG-CQSZACIVSA-N -1 3 388.501 0.827 20 0 GCADHM S=C(NC[C@H]1CCCCO1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826511145 607967081 /nfs/dbraw/zinc/96/70/81/607967081.db2.gz DGZIWNLMGWHXDG-CQSZACIVSA-N -1 3 388.501 0.827 20 0 GCADHM CN1CC[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1 ZINC000826029380 607968038 /nfs/dbraw/zinc/96/80/38/607968038.db2.gz RQRFICPNDRFIDH-OCCSQVGLSA-N -1 3 382.428 0.121 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000825494322 607973245 /nfs/dbraw/zinc/97/32/45/607973245.db2.gz WBNLJDCEXFFIHA-AWEZNQCLSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000825494322 607973246 /nfs/dbraw/zinc/97/32/46/607973246.db2.gz WBNLJDCEXFFIHA-AWEZNQCLSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000825493428 607973439 /nfs/dbraw/zinc/97/34/39/607973439.db2.gz LJTXCEJZKHATDA-AWEZNQCLSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000825493428 607973440 /nfs/dbraw/zinc/97/34/40/607973440.db2.gz LJTXCEJZKHATDA-AWEZNQCLSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(C)(=O)=O)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000824650020 607974579 /nfs/dbraw/zinc/97/45/79/607974579.db2.gz PHDIPDXNNUSUIN-ZETCQYMHSA-N -1 3 391.356 0.449 20 0 GCADHM C[C@H](NS(C)(=O)=O)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824650020 607974580 /nfs/dbraw/zinc/97/45/80/607974580.db2.gz PHDIPDXNNUSUIN-ZETCQYMHSA-N -1 3 391.356 0.449 20 0 GCADHM Cc1c(CCC(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000826236499 607977724 /nfs/dbraw/zinc/97/77/24/607977724.db2.gz OWPRLRCEZIZEDW-UHFFFAOYSA-N -1 3 383.412 0.701 20 0 GCADHM Cc1c(CCC(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000826236499 607977725 /nfs/dbraw/zinc/97/77/25/607977725.db2.gz OWPRLRCEZIZEDW-UHFFFAOYSA-N -1 3 383.412 0.701 20 0 GCADHM CCn1cc(C(=O)C(=O)OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)cn1 ZINC000825799259 607980056 /nfs/dbraw/zinc/98/00/56/607980056.db2.gz GXMQEQKPBCMZAK-UHFFFAOYSA-N -1 3 384.352 0.796 20 0 GCADHM CCn1cc(C(=O)C(=O)OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)cn1 ZINC000825799259 607980057 /nfs/dbraw/zinc/98/00/57/607980057.db2.gz GXMQEQKPBCMZAK-UHFFFAOYSA-N -1 3 384.352 0.796 20 0 GCADHM C[C@@H](Oc1cccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000824745095 607981595 /nfs/dbraw/zinc/98/15/95/607981595.db2.gz MCYAOTDXTXEDMO-TZMCWYRMSA-N -1 3 399.407 0.938 20 0 GCADHM COCC1(O)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826152984 607983508 /nfs/dbraw/zinc/98/35/08/607983508.db2.gz WRUAOESGFUJKMO-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM COCC1(O)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826152984 607983509 /nfs/dbraw/zinc/98/35/09/607983509.db2.gz WRUAOESGFUJKMO-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM C[C@@H](CO)CCCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824433452 607991652 /nfs/dbraw/zinc/99/16/52/607991652.db2.gz FCYKWNTZAIHVQC-CYBMUJFWSA-N -1 3 388.476 0.938 20 0 GCADHM C[C@@H](CO)CCCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824433452 607991653 /nfs/dbraw/zinc/99/16/53/607991653.db2.gz FCYKWNTZAIHVQC-CYBMUJFWSA-N -1 3 388.476 0.938 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)CC)cc1-c1nnn[n-]1 ZINC000825531993 607995400 /nfs/dbraw/zinc/99/54/00/607995400.db2.gz NWFNBEKQRZCIGG-UHFFFAOYSA-N -1 3 397.417 0.313 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)CC)cc1-c1nn[n-]n1 ZINC000825531993 607995401 /nfs/dbraw/zinc/99/54/01/607995401.db2.gz NWFNBEKQRZCIGG-UHFFFAOYSA-N -1 3 397.417 0.313 20 0 GCADHM CN1CCN(c2cc(C(=O)Nc3cc(-c4nn[nH]n4)ccc3[O-])ccn2)CC1 ZINC000826038632 607999188 /nfs/dbraw/zinc/99/91/88/607999188.db2.gz SDADMBWAWBUOSB-UHFFFAOYSA-N -1 3 380.412 0.971 20 0 GCADHM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825887952 608000699 /nfs/dbraw/zinc/00/06/99/608000699.db2.gz MAQYOGANQFFCEM-UHFFFAOYSA-N -1 3 386.384 0.564 20 0 GCADHM CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825887952 608000700 /nfs/dbraw/zinc/00/07/00/608000700.db2.gz MAQYOGANQFFCEM-UHFFFAOYSA-N -1 3 386.384 0.564 20 0 GCADHM CC(C)(CNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)N1CCOCC1 ZINC000824158010 608001274 /nfs/dbraw/zinc/00/12/74/608001274.db2.gz PQIZUEKEVNEPGJ-UHFFFAOYSA-N -1 3 398.464 0.536 20 0 GCADHM CC(C)(CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)N1CCOCC1 ZINC000824158010 608001275 /nfs/dbraw/zinc/00/12/75/608001275.db2.gz PQIZUEKEVNEPGJ-UHFFFAOYSA-N -1 3 398.464 0.536 20 0 GCADHM O=S(=O)(NC[C@@]1(CCO)CCOC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826490580 608001391 /nfs/dbraw/zinc/00/13/91/608001391.db2.gz ZXDUOZQISMEJAZ-CQSZACIVSA-N -1 3 387.849 0.588 20 0 GCADHM O=S(=O)(NC[C@@]1(CCO)CCOC1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826490580 608001392 /nfs/dbraw/zinc/00/13/92/608001392.db2.gz ZXDUOZQISMEJAZ-CQSZACIVSA-N -1 3 387.849 0.588 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000825976182 608002453 /nfs/dbraw/zinc/00/24/53/608002453.db2.gz GCZXFBKOTWKSCW-UHFFFAOYSA-N -1 3 394.457 0.382 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000825976182 608002454 /nfs/dbraw/zinc/00/24/54/608002454.db2.gz GCZXFBKOTWKSCW-UHFFFAOYSA-N -1 3 394.457 0.382 20 0 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378.458 0.827 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825901157 608056524 /nfs/dbraw/zinc/05/65/24/608056524.db2.gz BVIWTFUVYCBYHG-HNNXBMFYSA-N -1 3 378.458 0.827 20 0 GCADHM O=S(=O)(N1CCCCC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826487424 608057048 /nfs/dbraw/zinc/05/70/48/608057048.db2.gz OIWBIHIZVYEDRO-HNNXBMFYSA-N -1 3 378.458 0.971 20 0 GCADHM O=S(=O)(N1CCCCC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826487424 608057049 /nfs/dbraw/zinc/05/70/49/608057049.db2.gz OIWBIHIZVYEDRO-HNNXBMFYSA-N -1 3 378.458 0.971 20 0 GCADHM CC(C)C(=O)NCCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824185445 608060863 /nfs/dbraw/zinc/06/08/63/608060863.db2.gz ZWRISRPMSBDXEG-OAHLLOKOSA-N -1 3 387.444 0.722 20 0 GCADHM CC(C)C(=O)NCCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824185445 608060864 /nfs/dbraw/zinc/06/08/64/608060864.db2.gz ZWRISRPMSBDXEG-OAHLLOKOSA-N -1 3 387.444 0.722 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824464521 608062408 /nfs/dbraw/zinc/06/24/08/608062408.db2.gz HNBDZQHOROCPRT-DOMZBBRYSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824464521 608062409 /nfs/dbraw/zinc/06/24/09/608062409.db2.gz HNBDZQHOROCPRT-DOMZBBRYSA-N -1 3 383.416 0.630 20 0 GCADHM Cc1noc(CCNC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826339730 608062950 /nfs/dbraw/zinc/06/29/50/608062950.db2.gz QOUZNFAJKRFEOD-CQSZACIVSA-N -1 3 384.400 0.884 20 0 GCADHM Cc1noc(CCNC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826339730 608062951 /nfs/dbraw/zinc/06/29/51/608062951.db2.gz QOUZNFAJKRFEOD-CQSZACIVSA-N -1 3 384.400 0.884 20 0 GCADHM O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826432615 608063720 /nfs/dbraw/zinc/06/37/20/608063720.db2.gz GMGVPUQEMPEBJK-CABCVRRESA-N -1 3 395.427 0.556 20 0 GCADHM O=C(N[C@@H]1CCc2ncnn2C1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826432615 608063721 /nfs/dbraw/zinc/06/37/21/608063721.db2.gz GMGVPUQEMPEBJK-CABCVRRESA-N -1 3 395.427 0.556 20 0 GCADHM O=C(NCCN1C(=O)CCC1=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826437508 608063923 /nfs/dbraw/zinc/06/39/23/608063923.db2.gz OOKFYINUEVVRQL-AWEZNQCLSA-N -1 3 399.411 0.099 20 0 GCADHM O=C(NCCN1C(=O)CCC1=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826437508 608063924 /nfs/dbraw/zinc/06/39/24/608063924.db2.gz OOKFYINUEVVRQL-AWEZNQCLSA-N -1 3 399.411 0.099 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000825035276 608065394 /nfs/dbraw/zinc/06/53/94/608065394.db2.gz ZHQZYXXEMBLZTF-CVEARBPZSA-N -1 3 399.455 0.961 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000825035276 608065395 /nfs/dbraw/zinc/06/53/95/608065395.db2.gz ZHQZYXXEMBLZTF-CVEARBPZSA-N -1 3 399.455 0.961 20 0 GCADHM CC1(C)NC(=O)N(CCN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824812174 608066584 /nfs/dbraw/zinc/06/65/84/608066584.db2.gz KFWKQXIFQAYANP-CQSZACIVSA-N -1 3 385.428 0.570 20 0 GCADHM CC1(C)NC(=O)N(CCN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824812174 608066585 /nfs/dbraw/zinc/06/65/85/608066585.db2.gz KFWKQXIFQAYANP-CQSZACIVSA-N -1 3 385.428 0.570 20 0 GCADHM CC1(C)NC(=O)N(CCCN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824813465 608069412 /nfs/dbraw/zinc/06/94/12/608069412.db2.gz ZEFFMTBWYPFJKS-OAHLLOKOSA-N -1 3 399.455 0.961 20 0 GCADHM CC1(C)NC(=O)N(CCCN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824813465 608069413 /nfs/dbraw/zinc/06/94/13/608069413.db2.gz ZEFFMTBWYPFJKS-OAHLLOKOSA-N -1 3 399.455 0.961 20 0 GCADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)NCCCO)c1C ZINC000826331398 608072768 /nfs/dbraw/zinc/07/27/68/608072768.db2.gz GKFQXTFFSKYZAT-UHFFFAOYSA-N -1 3 384.400 0.106 20 0 GCADHM CCN(CCO)C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825425036 608072971 /nfs/dbraw/zinc/07/29/71/608072971.db2.gz YLNBLHWXMZFZAS-UHFFFAOYSA-N -1 3 398.427 0.449 20 0 GCADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)N2CCOCC2)c1C ZINC000826331559 608073408 /nfs/dbraw/zinc/07/34/08/608073408.db2.gz NVKOJNXQSQSCKL-UHFFFAOYSA-N -1 3 396.411 0.467 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cnn1C ZINC000826241019 608074698 /nfs/dbraw/zinc/07/46/98/608074698.db2.gz OLKDOJAXVRPGON-HNNXBMFYSA-N -1 3 396.411 0.447 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cnn1C ZINC000826241019 608074699 /nfs/dbraw/zinc/07/46/99/608074699.db2.gz OLKDOJAXVRPGON-HNNXBMFYSA-N -1 3 396.411 0.447 20 0 GCADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)N[C@@H]2CCOC2)c1C ZINC000826331327 608074774 /nfs/dbraw/zinc/07/47/74/608074774.db2.gz DCNZSDAKQQOUSB-CYBMUJFWSA-N -1 3 396.411 0.513 20 0 GCADHM Cn1nc2c(c1NC(=O)C(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000826365864 608074980 /nfs/dbraw/zinc/07/49/80/608074980.db2.gz HDHMOUMGUOHBPH-UHFFFAOYSA-N -1 3 396.411 0.223 20 0 GCADHM Cn1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000826362470 608075002 /nfs/dbraw/zinc/07/50/02/608075002.db2.gz 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O=C(CNC(=O)c1cccnc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826432804 608084134 /nfs/dbraw/zinc/08/41/34/608084134.db2.gz LMDIDTSGMBKLFR-INIZCTEOSA-N -1 3 393.407 0.592 20 0 GCADHM O=C(CNC(=O)c1cccnc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826432804 608084135 /nfs/dbraw/zinc/08/41/35/608084135.db2.gz LMDIDTSGMBKLFR-INIZCTEOSA-N -1 3 393.407 0.592 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826398842 608084228 /nfs/dbraw/zinc/08/42/28/608084228.db2.gz HEEWSEYMAJIAGJ-UONOGXRCSA-N -1 3 377.426 0.201 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826398842 608084229 /nfs/dbraw/zinc/08/42/29/608084229.db2.gz HEEWSEYMAJIAGJ-UONOGXRCSA-N -1 3 377.426 0.201 20 0 GCADHM CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825268794 608088625 /nfs/dbraw/zinc/08/86/25/608088625.db2.gz YLWMBEVMAGLSPY-LSDHHAIUSA-N -1 3 387.444 0.994 20 0 GCADHM CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825268794 608088626 /nfs/dbraw/zinc/08/86/26/608088626.db2.gz YLWMBEVMAGLSPY-LSDHHAIUSA-N -1 3 387.444 0.994 20 0 GCADHM O=C(CCCN1C(=O)CNC1=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826406271 608090651 /nfs/dbraw/zinc/09/06/51/608090651.db2.gz PBFFBSBGKYNMBH-CQSZACIVSA-N -1 3 399.411 0.099 20 0 GCADHM O=C(CCCN1C(=O)CNC1=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826406271 608090652 /nfs/dbraw/zinc/09/06/52/608090652.db2.gz PBFFBSBGKYNMBH-CQSZACIVSA-N -1 3 399.411 0.099 20 0 GCADHM O=S(=O)(CCn1cnc(-c2ccccn2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826485483 608091312 /nfs/dbraw/zinc/09/13/12/608091312.db2.gz RZTVEYATUYDDCZ-UHFFFAOYSA-N -1 3 382.409 0.994 20 0 GCADHM O=S(=O)(CCn1cnc(-c2ccccn2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826485483 608091313 /nfs/dbraw/zinc/09/13/13/608091313.db2.gz RZTVEYATUYDDCZ-UHFFFAOYSA-N -1 3 382.409 0.994 20 0 GCADHM NC(=O)N[C@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000826391964 608103643 /nfs/dbraw/zinc/10/36/43/608103643.db2.gz 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CC[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825155006 608104011 /nfs/dbraw/zinc/10/40/11/608104011.db2.gz XCIKWGPUNOSIIY-GFCCVEGCSA-N -1 3 382.398 0.276 20 0 GCADHM CCOC(=O)C(C)(C)C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825486739 608104592 /nfs/dbraw/zinc/10/45/92/608104592.db2.gz XGGODDIBXPKRMP-UHFFFAOYSA-N -1 3 375.385 0.615 20 0 GCADHM CCOC(=O)C(C)(C)C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825486739 608104593 /nfs/dbraw/zinc/10/45/93/608104593.db2.gz XGGODDIBXPKRMP-UHFFFAOYSA-N -1 3 375.385 0.615 20 0 GCADHM O=CNc1ccc(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826484088 608105513 /nfs/dbraw/zinc/10/55/13/608105513.db2.gz NFKGTLVPBWROMN-UHFFFAOYSA-N -1 3 380.364 0.908 20 0 GCADHM O=CNc1ccc(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826484088 608105514 /nfs/dbraw/zinc/10/55/14/608105514.db2.gz NFKGTLVPBWROMN-UHFFFAOYSA-N -1 3 380.364 0.908 20 0 GCADHM NC(=O)N[C@H]1CCN(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000826392224 608106596 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3 397.432 0.763 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826486292 608158698 /nfs/dbraw/zinc/15/86/98/608158698.db2.gz WUUZJJUJESHQHF-XJKSGUPXSA-N -1 3 397.432 0.763 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825583475 608164498 /nfs/dbraw/zinc/16/44/98/608164498.db2.gz UTEGGOWVXCIPIE-AWEZNQCLSA-N -1 3 376.417 0.705 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825583475 608164500 /nfs/dbraw/zinc/16/45/00/608164500.db2.gz UTEGGOWVXCIPIE-AWEZNQCLSA-N -1 3 376.417 0.705 20 0 GCADHM C[C@H]1C[C@@H](CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCO1 ZINC000824884790 608164614 /nfs/dbraw/zinc/16/46/14/608164614.db2.gz PKNCDZSWAZAIPG-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H]1C[C@@H](CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCO1 ZINC000824884790 608164615 /nfs/dbraw/zinc/16/46/15/608164615.db2.gz PKNCDZSWAZAIPG-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000825476472 608168021 /nfs/dbraw/zinc/16/80/21/608168021.db2.gz LCPGKKFAPIHVKS-SBDDDAINSA-N -1 3 376.442 0.420 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000825476472 608168022 /nfs/dbraw/zinc/16/80/22/608168022.db2.gz LCPGKKFAPIHVKS-SBDDDAINSA-N -1 3 376.442 0.420 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826441629 608168209 /nfs/dbraw/zinc/16/82/09/608168209.db2.gz NCVSZSOJVUEEFM-GFCCVEGCSA-N -1 3 375.364 0.742 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826441629 608168210 /nfs/dbraw/zinc/16/82/10/608168210.db2.gz NCVSZSOJVUEEFM-GFCCVEGCSA-N -1 3 375.364 0.742 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCC(=O)C2CCOCC2)cc1 ZINC000826394972 608171344 /nfs/dbraw/zinc/17/13/44/608171344.db2.gz HEUSFKCBDSMLEP-UHFFFAOYSA-N -1 3 397.395 0.787 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCC(=O)C2CCOCC2)cc1 ZINC000826394972 608171345 /nfs/dbraw/zinc/17/13/45/608171345.db2.gz HEUSFKCBDSMLEP-UHFFFAOYSA-N -1 3 397.395 0.787 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000825787869 608176732 /nfs/dbraw/zinc/17/67/32/608176732.db2.gz LJSCAAVRYGVIJK-SNVBAGLBSA-N -1 3 389.441 1.000 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000825787869 608176734 /nfs/dbraw/zinc/17/67/34/608176734.db2.gz LJSCAAVRYGVIJK-SNVBAGLBSA-N -1 3 389.441 1.000 20 0 GCADHM COc1cccc([C@H](O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000826215179 608187030 /nfs/dbraw/zinc/18/70/30/608187030.db2.gz IOYYBRPSKQZTDB-KRWDZBQOSA-N -1 3 395.423 0.653 20 0 GCADHM COc1cccc([C@H](O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000826215179 608187032 /nfs/dbraw/zinc/18/70/32/608187032.db2.gz IOYYBRPSKQZTDB-KRWDZBQOSA-N -1 3 395.423 0.653 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000826175954 608187071 /nfs/dbraw/zinc/18/70/71/608187071.db2.gz VXIQSXFTDWPIGH-GFCCVEGCSA-N -1 3 375.385 0.808 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000826175954 608187073 /nfs/dbraw/zinc/18/70/73/608187073.db2.gz VXIQSXFTDWPIGH-GFCCVEGCSA-N -1 3 375.385 0.808 20 0 GCADHM CN1CC[C@H](C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CC1=O ZINC000826022064 608191607 /nfs/dbraw/zinc/19/16/07/608191607.db2.gz HMHGVYYNRKDTRM-ZDUSSCGKSA-N -1 3 380.412 0.741 20 0 GCADHM CN1CC[C@H](C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CC1=O ZINC000826022064 608191608 /nfs/dbraw/zinc/19/16/08/608191608.db2.gz HMHGVYYNRKDTRM-ZDUSSCGKSA-N -1 3 380.412 0.741 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CCO)c1ccccc1 ZINC000826412039 608193888 /nfs/dbraw/zinc/19/38/88/608193888.db2.gz YWJALTNAWKAHSF-MRXNPFEDSA-N -1 3 380.408 0.836 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CCO)c1ccccc1 ZINC000826412039 608193889 /nfs/dbraw/zinc/19/38/89/608193889.db2.gz YWJALTNAWKAHSF-MRXNPFEDSA-N -1 3 380.408 0.836 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)CNc3ccc(-c4nnn[n-]4)cn3)cc2)c1=O ZINC000826365238 608196476 /nfs/dbraw/zinc/19/64/76/608196476.db2.gz GHXXKBZGYNICNH-UHFFFAOYSA-N -1 3 392.383 0.197 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)CNc3ccc(-c4nn[n-]n4)cn3)cc2)c1=O ZINC000826365238 608196478 /nfs/dbraw/zinc/19/64/78/608196478.db2.gz GHXXKBZGYNICNH-UHFFFAOYSA-N -1 3 392.383 0.197 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000825476558 608197080 /nfs/dbraw/zinc/19/70/80/608197080.db2.gz NJEMLXOGBIBBIO-MRVPVSSYSA-N -1 3 391.379 0.799 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000825476558 608197082 /nfs/dbraw/zinc/19/70/82/608197082.db2.gz NJEMLXOGBIBBIO-MRVPVSSYSA-N -1 3 391.379 0.799 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](O)Cc1ccccc1 ZINC000824477928 608198484 /nfs/dbraw/zinc/19/84/84/608198484.db2.gz CYBUTKSSKHIZJO-DYVFJYSZSA-N -1 3 394.435 0.705 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](O)Cc1ccccc1 ZINC000824477928 608198485 /nfs/dbraw/zinc/19/84/85/608198485.db2.gz CYBUTKSSKHIZJO-DYVFJYSZSA-N -1 3 394.435 0.705 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CCO[C@]3(CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826395244 608198951 /nfs/dbraw/zinc/19/89/51/608198951.db2.gz TUMIIDSVNSMCSD-ZUZCIYMTSA-N -1 3 380.430 0.264 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CCO[C@]3(CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826395244 608198953 /nfs/dbraw/zinc/19/89/53/608198953.db2.gz TUMIIDSVNSMCSD-ZUZCIYMTSA-N -1 3 380.430 0.264 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@]1(C)CCOC1 ZINC000824633823 608199574 /nfs/dbraw/zinc/19/95/74/608199574.db2.gz QPMQAKLCBLIHMZ-BZNIZROVSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@]1(C)CCOC1 ZINC000824633823 608199577 /nfs/dbraw/zinc/19/95/77/608199577.db2.gz QPMQAKLCBLIHMZ-BZNIZROVSA-N -1 3 395.441 0.503 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826438158 608203327 /nfs/dbraw/zinc/20/33/27/608203327.db2.gz PLXVGPQELGJSGE-YVEFUNNKSA-N -1 3 388.432 0.311 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826438158 608203329 /nfs/dbraw/zinc/20/33/29/608203329.db2.gz PLXVGPQELGJSGE-YVEFUNNKSA-N -1 3 388.432 0.311 20 0 GCADHM CC(=O)N1CCOC[C@H]1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823981035 608208893 /nfs/dbraw/zinc/20/88/93/608208893.db2.gz JTOPVPYZIGYQDI-JKSUJKDBSA-N -1 3 386.412 0.014 20 0 GCADHM CC(=O)N1CCOC[C@H]1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823981035 608208894 /nfs/dbraw/zinc/20/88/94/608208894.db2.gz JTOPVPYZIGYQDI-JKSUJKDBSA-N -1 3 386.412 0.014 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000826281581 608217665 /nfs/dbraw/zinc/21/76/65/608217665.db2.gz AFODKQNCQCUOIH-UHFFFAOYSA-N -1 3 398.402 0.667 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000826281581 608217667 /nfs/dbraw/zinc/21/76/67/608217667.db2.gz AFODKQNCQCUOIH-UHFFFAOYSA-N -1 3 398.402 0.667 20 0 GCADHM CCCCN(C(=O)CNc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000825282115 608220200 /nfs/dbraw/zinc/22/02/00/608220200.db2.gz NNLRHMWIHAPLDQ-CYBMUJFWSA-N -1 3 393.473 0.489 20 0 GCADHM CCCCN(C(=O)CNc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000825282115 608220201 /nfs/dbraw/zinc/22/02/01/608220201.db2.gz NNLRHMWIHAPLDQ-CYBMUJFWSA-N -1 3 393.473 0.489 20 0 GCADHM CN(CCNC(=O)CNc1ccc(-c2nnn[n-]2)cn1)C(=O)OC(C)(C)C ZINC000825938719 608221580 /nfs/dbraw/zinc/22/15/80/608221580.db2.gz XOJYEOUMWPLABE-UHFFFAOYSA-N -1 3 376.421 0.657 20 0 GCADHM CN(CCNC(=O)CNc1ccc(-c2nn[n-]n2)cn1)C(=O)OC(C)(C)C ZINC000825938719 608221582 /nfs/dbraw/zinc/22/15/82/608221582.db2.gz XOJYEOUMWPLABE-UHFFFAOYSA-N -1 3 376.421 0.657 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCCCNC(=O)c1cccs1 ZINC000826413897 608222602 /nfs/dbraw/zinc/22/26/02/608222602.db2.gz WAPUIACHQMEHSI-UHFFFAOYSA-N -1 3 386.441 0.671 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCCCNC(=O)c1cccs1 ZINC000826413897 608222604 /nfs/dbraw/zinc/22/26/04/608222604.db2.gz WAPUIACHQMEHSI-UHFFFAOYSA-N -1 3 386.441 0.671 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC000824449700 608223273 /nfs/dbraw/zinc/22/32/73/608223273.db2.gz OSGUOPDSQWSHTG-SNVBAGLBSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC000824449700 608223275 /nfs/dbraw/zinc/22/32/75/608223275.db2.gz OSGUOPDSQWSHTG-SNVBAGLBSA-N -1 3 379.446 0.098 20 0 GCADHM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825834608 608223730 /nfs/dbraw/zinc/22/37/30/608223730.db2.gz ZXWZOPCXMUFMOH-OAHLLOKOSA-N -1 3 394.439 0.489 20 0 GCADHM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825834608 608223732 /nfs/dbraw/zinc/22/37/32/608223732.db2.gz ZXWZOPCXMUFMOH-OAHLLOKOSA-N -1 3 394.439 0.489 20 0 GCADHM CN(C(=O)CNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000825818260 608223806 /nfs/dbraw/zinc/22/38/06/608223806.db2.gz ZBESHQQDVXIOIN-HNNXBMFYSA-N -1 3 392.423 0.938 20 0 GCADHM CN(C(=O)CNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCN(c2ccccc2)C1=O ZINC000825818260 608223808 /nfs/dbraw/zinc/22/38/08/608223808.db2.gz ZBESHQQDVXIOIN-HNNXBMFYSA-N -1 3 392.423 0.938 20 0 GCADHM C[S@@](=O)C[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000826224383 608224762 /nfs/dbraw/zinc/22/47/62/608224762.db2.gz BTCCKSFBCGNABH-PGGUUEOZSA-N -1 3 385.453 0.910 20 0 GCADHM C[S@@](=O)C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000826224383 608224764 /nfs/dbraw/zinc/22/47/64/608224764.db2.gz BTCCKSFBCGNABH-PGGUUEOZSA-N -1 3 385.453 0.910 20 0 GCADHM Cc1ccc(N2CC[C@H](NC(=O)CNc3ccc(-c4nnn[n-]4)cn3)C2=O)cc1 ZINC000826289635 608224975 /nfs/dbraw/zinc/22/49/75/608224975.db2.gz HNJSWWOOFZFGTR-HNNXBMFYSA-N -1 3 392.423 0.904 20 0 GCADHM Cc1ccc(N2CC[C@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cn3)C2=O)cc1 ZINC000826289635 608224977 /nfs/dbraw/zinc/22/49/77/608224977.db2.gz HNJSWWOOFZFGTR-HNNXBMFYSA-N -1 3 392.423 0.904 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000826413492 608225128 /nfs/dbraw/zinc/22/51/28/608225128.db2.gz HJVUUNDDEMGCPH-ZDUSSCGKSA-N -1 3 380.416 0.249 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000826413492 608225129 /nfs/dbraw/zinc/22/51/29/608225129.db2.gz HJVUUNDDEMGCPH-ZDUSSCGKSA-N -1 3 380.416 0.249 20 0 GCADHM Cc1cn2c(ncc(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)c2=O)s1 ZINC000826317225 608225283 /nfs/dbraw/zinc/22/52/83/608225283.db2.gz SYULLLXZYOAZKL-UHFFFAOYSA-N -1 3 397.424 0.481 20 0 GCADHM Cc1cn2c(ncc(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)c2=O)s1 ZINC000826317225 608225285 /nfs/dbraw/zinc/22/52/85/608225285.db2.gz SYULLLXZYOAZKL-UHFFFAOYSA-N -1 3 397.424 0.481 20 0 GCADHM C[C@](O)(CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC000824670189 608226019 /nfs/dbraw/zinc/22/60/19/608226019.db2.gz LUKBBBYEJCUDLA-KRWDZBQOSA-N -1 3 389.366 0.976 20 0 GCADHM C[C@](O)(CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC000824670189 608226021 /nfs/dbraw/zinc/22/60/21/608226021.db2.gz LUKBBBYEJCUDLA-KRWDZBQOSA-N -1 3 389.366 0.976 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000825248551 608236417 /nfs/dbraw/zinc/23/64/17/608236417.db2.gz VQJFXEFVPDDLTR-OAHLLOKOSA-N -1 3 381.444 0.992 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000825248551 608236419 /nfs/dbraw/zinc/23/64/19/608236419.db2.gz VQJFXEFVPDDLTR-OAHLLOKOSA-N -1 3 381.444 0.992 20 0 GCADHM CC[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H](O)C(F)(F)F ZINC000825147863 608238154 /nfs/dbraw/zinc/23/81/54/608238154.db2.gz LWXQZCSGANBGLU-MNOVXSKESA-N -1 3 379.364 0.988 20 0 GCADHM CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](O)C(F)(F)F ZINC000825147587 608238407 /nfs/dbraw/zinc/23/84/07/608238407.db2.gz KCWQLIHNSHZSIY-VHSXEESVSA-N -1 3 383.327 0.986 20 0 GCADHM CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](O)C(F)(F)F ZINC000825147587 608238409 /nfs/dbraw/zinc/23/84/09/608238409.db2.gz KCWQLIHNSHZSIY-VHSXEESVSA-N -1 3 383.327 0.986 20 0 GCADHM COC[C@@H](O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826151565 608239038 /nfs/dbraw/zinc/23/90/38/608239038.db2.gz DPDHMDFREXMMTH-VIFPVBQESA-N -1 3 395.363 0.561 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826060606 608239908 /nfs/dbraw/zinc/23/99/08/608239908.db2.gz PLZSQVQVKNWFGC-MWLCHTKSSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826060606 608239909 /nfs/dbraw/zinc/23/99/09/608239909.db2.gz PLZSQVQVKNWFGC-MWLCHTKSSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826060605 608240141 /nfs/dbraw/zinc/24/01/41/608240141.db2.gz PLZSQVQVKNWFGC-KOLCDFICSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826060605 608240142 /nfs/dbraw/zinc/24/01/42/608240142.db2.gz PLZSQVQVKNWFGC-KOLCDFICSA-N -1 3 384.849 0.713 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000824677942 608240376 /nfs/dbraw/zinc/24/03/76/608240376.db2.gz JMXNOWVAWPTBER-LLVKDONJSA-N -1 3 390.448 0.480 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000824677942 608240378 /nfs/dbraw/zinc/24/03/78/608240378.db2.gz JMXNOWVAWPTBER-LLVKDONJSA-N -1 3 390.448 0.480 20 0 GCADHM O=C(N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)[C@@]1(O)CCSC1 ZINC000826426348 608240435 /nfs/dbraw/zinc/24/04/35/608240435.db2.gz LNKYPONNCAEDGV-MRXNPFEDSA-N -1 3 378.433 0.522 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826061013 608241082 /nfs/dbraw/zinc/24/10/82/608241082.db2.gz YGUIJPLWZXQDHR-OWCLPIDISA-N -1 3 399.455 0.864 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826061013 608241084 /nfs/dbraw/zinc/24/10/84/608241084.db2.gz YGUIJPLWZXQDHR-OWCLPIDISA-N -1 3 399.455 0.864 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826060520 608241263 /nfs/dbraw/zinc/24/12/63/608241263.db2.gz NTFDOXGFAWHIDU-KGLIPLIRSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826060520 608241265 /nfs/dbraw/zinc/24/12/65/608241265.db2.gz NTFDOXGFAWHIDU-KGLIPLIRSA-N -1 3 399.459 0.008 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)[C@@H](O)C(F)(F)F ZINC000825133127 608244677 /nfs/dbraw/zinc/24/46/77/608244677.db2.gz JRXDEWLKHZXBDL-GZMMTYOYSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)[C@@H](O)C(F)(F)F ZINC000825133127 608244678 /nfs/dbraw/zinc/24/46/78/608244678.db2.gz JRXDEWLKHZXBDL-GZMMTYOYSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@H](O)C(F)(F)F ZINC000825133840 608244728 /nfs/dbraw/zinc/24/47/28/608244728.db2.gz QMDRBVDUABECGE-ONGXEEELSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@H](O)C(F)(F)F ZINC000825133840 608244730 /nfs/dbraw/zinc/24/47/30/608244730.db2.gz QMDRBVDUABECGE-ONGXEEELSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@@H](O)C(F)(F)F ZINC000825133838 608244758 /nfs/dbraw/zinc/24/47/58/608244758.db2.gz QMDRBVDUABECGE-MWLCHTKSSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@@H](O)C(F)(F)F ZINC000825133838 608244759 /nfs/dbraw/zinc/24/47/59/608244759.db2.gz QMDRBVDUABECGE-MWLCHTKSSA-N -1 3 386.334 0.932 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826050682 608245573 /nfs/dbraw/zinc/24/55/73/608245573.db2.gz ASOOBDWJNFHNJQ-CMPLNLGQSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826050682 608245575 /nfs/dbraw/zinc/24/55/75/608245575.db2.gz ASOOBDWJNFHNJQ-CMPLNLGQSA-N -1 3 391.819 0.490 20 0 GCADHM COC[C@@H](O)CCNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826151853 608245919 /nfs/dbraw/zinc/24/59/19/608245919.db2.gz KTWHCFXFTQJSST-LBPRGKRZSA-N -1 3 376.417 0.489 20 0 GCADHM COC[C@@H](O)CCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826151853 608245921 /nfs/dbraw/zinc/24/59/21/608245921.db2.gz KTWHCFXFTQJSST-LBPRGKRZSA-N -1 3 376.417 0.489 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826452030 608247930 /nfs/dbraw/zinc/24/79/30/608247930.db2.gz FSEJQWOEVMGJEL-SNVBAGLBSA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826452030 608247932 /nfs/dbraw/zinc/24/79/32/608247932.db2.gz FSEJQWOEVMGJEL-SNVBAGLBSA-N -1 3 389.803 0.292 20 0 GCADHM Cn1nnnc1CCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826366966 608248236 /nfs/dbraw/zinc/24/82/36/608248236.db2.gz FVDNLEHITPMHAB-UHFFFAOYSA-N -1 3 395.383 0.535 20 0 GCADHM CCOCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825593767 608249119 /nfs/dbraw/zinc/24/91/19/608249119.db2.gz DBUZCBPDGSJFHO-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM CCOCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825593767 608249121 /nfs/dbraw/zinc/24/91/21/608249121.db2.gz DBUZCBPDGSJFHO-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824678044 608249653 /nfs/dbraw/zinc/24/96/53/608249653.db2.gz KDVOKHBTTQHPND-GFCCVEGCSA-N -1 3 388.428 0.076 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824678044 608249654 /nfs/dbraw/zinc/24/96/54/608249654.db2.gz KDVOKHBTTQHPND-GFCCVEGCSA-N -1 3 388.428 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@]1(C)CCCOC1 ZINC000824640786 608250213 /nfs/dbraw/zinc/25/02/13/608250213.db2.gz OYQQPAYPUNFLFV-BDJLRTHQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@]1(C)CCCOC1 ZINC000824640786 608250214 /nfs/dbraw/zinc/25/02/14/608250214.db2.gz OYQQPAYPUNFLFV-BDJLRTHQSA-N -1 3 394.457 0.219 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826412952 608252466 /nfs/dbraw/zinc/25/24/66/608252466.db2.gz KRUGEAWUBRRSCA-OAHLLOKOSA-N -1 3 386.412 0.459 20 0 GCADHM CC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](O)C(F)(F)F ZINC000825133737 608253490 /nfs/dbraw/zinc/25/34/90/608253490.db2.gz OXUKUMIOFBUFEO-PWSUYJOCSA-N -1 3 386.334 0.415 20 0 GCADHM CC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](O)C(F)(F)F ZINC000825133737 608253491 /nfs/dbraw/zinc/25/34/91/608253491.db2.gz OXUKUMIOFBUFEO-PWSUYJOCSA-N -1 3 386.334 0.415 20 0 GCADHM Cn1nnnc1CCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826367084 608257645 /nfs/dbraw/zinc/25/76/45/608257645.db2.gz LGJYDXCHSPOQSG-UHFFFAOYSA-N -1 3 398.431 0.186 20 0 GCADHM Cc1sc(NC(=O)CN2CCN(C(=O)[C@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000826349757 608258167 /nfs/dbraw/zinc/25/81/67/608258167.db2.gz TXKZMFXFGOKJAE-JTQLQIEISA-N -1 3 393.473 0.009 20 0 GCADHM Cc1sc(NC(=O)CN2CCN(C(=O)[C@H](C)O)CC2)c(-c2nn[n-]n2)c1C ZINC000826349757 608258168 /nfs/dbraw/zinc/25/81/68/608258168.db2.gz TXKZMFXFGOKJAE-JTQLQIEISA-N -1 3 393.473 0.009 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000826455729 608261260 /nfs/dbraw/zinc/26/12/60/608261260.db2.gz BELFCFBVXLZUSS-CQSZACIVSA-N -1 3 397.439 0.855 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000826455729 608261262 /nfs/dbraw/zinc/26/12/62/608261262.db2.gz BELFCFBVXLZUSS-CQSZACIVSA-N -1 3 397.439 0.855 20 0 GCADHM CCOCCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825594765 608265029 /nfs/dbraw/zinc/26/50/29/608265029.db2.gz QGGXRQOOEDBDPO-UHFFFAOYSA-N -1 3 384.343 0.902 20 0 GCADHM CCOCCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825594765 608265031 /nfs/dbraw/zinc/26/50/31/608265031.db2.gz QGGXRQOOEDBDPO-UHFFFAOYSA-N -1 3 384.343 0.902 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000270922038 608266142 /nfs/dbraw/zinc/26/61/42/608266142.db2.gz OCZIWLFJRQSMLZ-UHFFFAOYSA-N -1 3 375.389 0.446 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000270922038 608266144 /nfs/dbraw/zinc/26/61/44/608266144.db2.gz OCZIWLFJRQSMLZ-UHFFFAOYSA-N -1 3 375.389 0.446 20 0 GCADHM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826392722 608277452 /nfs/dbraw/zinc/27/74/52/608277452.db2.gz KRGGRQKVAKGNFT-UHFFFAOYSA-N -1 3 382.384 0.383 20 0 GCADHM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826392722 608277453 /nfs/dbraw/zinc/27/74/53/608277453.db2.gz KRGGRQKVAKGNFT-UHFFFAOYSA-N -1 3 382.384 0.383 20 0 GCADHM CC(C)(CCCO)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824152614 608278160 /nfs/dbraw/zinc/27/81/60/608278160.db2.gz KTZPVVHXWGMDFO-UHFFFAOYSA-N -1 3 395.485 0.696 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H](Nc2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826223475 608278417 /nfs/dbraw/zinc/27/84/17/608278417.db2.gz NWIUJLHHDWMCOU-GFCCVEGCSA-N -1 3 377.474 0.976 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H](Nc2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826223475 608278419 /nfs/dbraw/zinc/27/84/19/608278419.db2.gz NWIUJLHHDWMCOU-GFCCVEGCSA-N -1 3 377.474 0.976 20 0 GCADHM CCS(=O)(=O)N1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000825663477 608279908 /nfs/dbraw/zinc/27/99/08/608279908.db2.gz PWEJGEVJLAQJTB-UHFFFAOYSA-N -1 3 377.474 0.612 20 0 GCADHM CCS(=O)(=O)N1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000825663477 608279909 /nfs/dbraw/zinc/27/99/09/608279909.db2.gz PWEJGEVJLAQJTB-UHFFFAOYSA-N -1 3 377.474 0.612 20 0 GCADHM O=S1(=O)CCCN1CCCNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826496964 608282194 /nfs/dbraw/zinc/28/21/94/608282194.db2.gz PNJCYDYTKMNTIE-UHFFFAOYSA-N -1 3 377.474 0.978 20 0 GCADHM O=S1(=O)CCCN1CCCNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826496964 608282196 /nfs/dbraw/zinc/28/21/96/608282196.db2.gz PNJCYDYTKMNTIE-UHFFFAOYSA-N -1 3 377.474 0.978 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826090960 608293208 /nfs/dbraw/zinc/29/32/08/608293208.db2.gz SEZDXSMZEIFHQU-GFCCVEGCSA-N -1 3 377.474 0.659 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826090960 608293210 /nfs/dbraw/zinc/29/32/10/608293210.db2.gz SEZDXSMZEIFHQU-GFCCVEGCSA-N -1 3 377.474 0.659 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1 ZINC000826275102 608294292 /nfs/dbraw/zinc/29/42/92/608294292.db2.gz ORNUCIPUMXHJDJ-UHFFFAOYSA-N -1 3 395.489 0.447 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1 ZINC000826275102 608294293 /nfs/dbraw/zinc/29/42/93/608294293.db2.gz ORNUCIPUMXHJDJ-UHFFFAOYSA-N -1 3 395.489 0.447 20 0 GCADHM CCN1C(=O)[C@@H]2CN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CCN2C1=O ZINC000825445188 608294810 /nfs/dbraw/zinc/29/48/10/608294810.db2.gz WZOUHBLGZUPMJW-AWEZNQCLSA-N -1 3 382.428 0.613 20 0 GCADHM CCN1C(=O)[C@@H]2CN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CCN2C1=O ZINC000825445188 608294811 /nfs/dbraw/zinc/29/48/11/608294811.db2.gz WZOUHBLGZUPMJW-AWEZNQCLSA-N -1 3 382.428 0.613 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826223147 608300075 /nfs/dbraw/zinc/30/00/75/608300075.db2.gz CKULKWPMVIEHPC-NSHDSACASA-N -1 3 377.474 0.834 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826223147 608300077 /nfs/dbraw/zinc/30/00/77/608300077.db2.gz CKULKWPMVIEHPC-NSHDSACASA-N -1 3 377.474 0.834 20 0 GCADHM Cc1nnc(CS(=O)(=O)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826336455 608305269 /nfs/dbraw/zinc/30/52/69/608305269.db2.gz ZIQUVEHJOSIGNM-UHFFFAOYSA-N -1 3 379.427 0.580 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCC[C@H](O)COC)cc1-c1nnn[n-]1 ZINC000825538142 608307477 /nfs/dbraw/zinc/30/74/77/608307477.db2.gz ADWBTSQYBOAMMV-NSHDSACASA-N -1 3 393.404 0.954 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCC[C@H](O)COC)cc1-c1nn[n-]n1 ZINC000825538142 608307480 /nfs/dbraw/zinc/30/74/80/608307480.db2.gz ADWBTSQYBOAMMV-NSHDSACASA-N -1 3 393.404 0.954 20 0 GCADHM Cc1cccn2c(=O)c(C(=O)NCCOc3ccc(-c4nn[n-]n4)cc3)cnc12 ZINC000826308216 608309461 /nfs/dbraw/zinc/30/94/61/608309461.db2.gz OOIVDAJOFODMGC-UHFFFAOYSA-N -1 3 391.391 0.992 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)cc1-c1nnn[n-]1 ZINC000824324541 608315561 /nfs/dbraw/zinc/31/55/61/608315561.db2.gz OYCUDQIYELSOTG-GOSISDBHSA-N -1 3 388.428 0.966 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)cc1-c1nn[n-]n1 ZINC000824324541 608315563 /nfs/dbraw/zinc/31/55/63/608315563.db2.gz OYCUDQIYELSOTG-GOSISDBHSA-N -1 3 388.428 0.966 20 0 GCADHM CS(=O)(=O)c1cc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)cs1 ZINC000826224154 608318531 /nfs/dbraw/zinc/31/85/31/608318531.db2.gz RDIGDIREFSJNHQ-UHFFFAOYSA-N -1 3 394.438 0.996 20 0 GCADHM CS(=O)(=O)c1cc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)cs1 ZINC000826224154 608318533 /nfs/dbraw/zinc/31/85/33/608318533.db2.gz RDIGDIREFSJNHQ-UHFFFAOYSA-N -1 3 394.438 0.996 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@H]1COC2(CCCC2)O1 ZINC000826438001 608319183 /nfs/dbraw/zinc/31/91/83/608319183.db2.gz JECOZXINFUGBCN-ZDUSSCGKSA-N -1 3 388.432 0.659 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@H]1COC2(CCCC2)O1 ZINC000826438001 608319184 /nfs/dbraw/zinc/31/91/84/608319184.db2.gz JECOZXINFUGBCN-ZDUSSCGKSA-N -1 3 388.432 0.659 20 0 GCADHM Cc1nnc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)s1 ZINC000826335296 608319293 /nfs/dbraw/zinc/31/92/93/608319293.db2.gz HUZYWWIDWHSGLH-UHFFFAOYSA-N -1 3 395.426 0.048 20 0 GCADHM Cc1nnc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)s1 ZINC000826335296 608319295 /nfs/dbraw/zinc/31/92/95/608319295.db2.gz HUZYWWIDWHSGLH-UHFFFAOYSA-N -1 3 395.426 0.048 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000826393517 608325924 /nfs/dbraw/zinc/32/59/24/608325924.db2.gz VZYICWNREKDDDP-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000826393517 608325926 /nfs/dbraw/zinc/32/59/26/608325926.db2.gz VZYICWNREKDDDP-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM NC(=O)c1cccc(CNS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826393669 608327210 /nfs/dbraw/zinc/32/72/10/608327210.db2.gz CVMTYDBJOMHAFV-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM NC(=O)c1cccc(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826393669 608327211 /nfs/dbraw/zinc/32/72/11/608327211.db2.gz CVMTYDBJOMHAFV-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM CN(CC(=O)N1CCCC1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825888912 608327331 /nfs/dbraw/zinc/32/73/31/608327331.db2.gz YXLFARQIUPLBNW-UHFFFAOYSA-N -1 3 382.421 0.390 20 0 GCADHM CN(CC(=O)N1CCCC1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825888912 608327333 /nfs/dbraw/zinc/32/73/33/608327333.db2.gz YXLFARQIUPLBNW-UHFFFAOYSA-N -1 3 382.421 0.390 20 0 GCADHM C[C@H](CN1CCCC1=O)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824413511 608327608 /nfs/dbraw/zinc/32/76/08/608327608.db2.gz MMGTWXUSHCXVTG-SNVBAGLBSA-N -1 3 382.421 0.436 20 0 GCADHM C[C@H](CN1CCCC1=O)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824413511 608327610 /nfs/dbraw/zinc/32/76/10/608327610.db2.gz MMGTWXUSHCXVTG-SNVBAGLBSA-N -1 3 382.421 0.436 20 0 GCADHM C[C@@]1(O)CCCN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000824837625 608329471 /nfs/dbraw/zinc/32/94/71/608329471.db2.gz HTBMMPNNCGWYTQ-GOSISDBHSA-N -1 3 386.460 0.787 20 0 GCADHM C[C@@]1(O)CCCN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000824837625 608329473 /nfs/dbraw/zinc/32/94/73/608329473.db2.gz HTBMMPNNCGWYTQ-GOSISDBHSA-N -1 3 386.460 0.787 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000823993864 608329642 /nfs/dbraw/zinc/32/96/42/608329642.db2.gz AZBPYKFZENMXMZ-LBPRGKRZSA-N -1 3 396.448 0.684 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000823993864 608329644 /nfs/dbraw/zinc/32/96/44/608329644.db2.gz AZBPYKFZENMXMZ-LBPRGKRZSA-N -1 3 396.448 0.684 20 0 GCADHM O=C(CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)NC1CCCC1 ZINC000826412329 608330874 /nfs/dbraw/zinc/33/08/74/608330874.db2.gz KIQGYXYHMLUHGP-UHFFFAOYSA-N -1 3 382.421 0.484 20 0 GCADHM C[C@H](NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)[C@H](C)N1CCOCC1 ZINC000824632508 608331480 /nfs/dbraw/zinc/33/14/80/608331480.db2.gz APSJISACZWCRCD-RYUDHWBXSA-N -1 3 398.464 0.534 20 0 GCADHM C[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)[C@H](C)N1CCOCC1 ZINC000824632508 608331482 /nfs/dbraw/zinc/33/14/82/608331482.db2.gz APSJISACZWCRCD-RYUDHWBXSA-N -1 3 398.464 0.534 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000825598872 608331937 /nfs/dbraw/zinc/33/19/37/608331937.db2.gz DNYGEFHVLQCUHR-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000825598872 608331939 /nfs/dbraw/zinc/33/19/39/608331939.db2.gz DNYGEFHVLQCUHR-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM CNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826060885 608331962 /nfs/dbraw/zinc/33/19/62/608331962.db2.gz VOOQUNRCSWOTOI-NSHDSACASA-N -1 3 382.421 0.294 20 0 GCADHM CNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826060885 608331963 /nfs/dbraw/zinc/33/19/63/608331963.db2.gz VOOQUNRCSWOTOI-NSHDSACASA-N -1 3 382.421 0.294 20 0 GCADHM Cn1cc(CCCNS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)cn1 ZINC000826360386 608332220 /nfs/dbraw/zinc/33/22/20/608332220.db2.gz IOYKUTFHFGGUIN-UHFFFAOYSA-N -1 3 379.421 0.792 20 0 GCADHM Cn1cc(CCCNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)cn1 ZINC000826360386 608332222 /nfs/dbraw/zinc/33/22/22/608332222.db2.gz IOYKUTFHFGGUIN-UHFFFAOYSA-N -1 3 379.421 0.792 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H](C2OCCO2)C1 ZINC000826485294 608332269 /nfs/dbraw/zinc/33/22/69/608332269.db2.gz KABHNTFOMADASW-LBPRGKRZSA-N -1 3 397.432 0.921 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H](C2OCCO2)C1 ZINC000826485294 608332271 /nfs/dbraw/zinc/33/22/71/608332271.db2.gz KABHNTFOMADASW-LBPRGKRZSA-N -1 3 397.432 0.921 20 0 GCADHM O=C1CCCCN1CCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826479740 608332437 /nfs/dbraw/zinc/33/24/37/608332437.db2.gz GZRHNENDAXYOJN-UHFFFAOYSA-N -1 3 396.448 0.828 20 0 GCADHM O=C1CCCCN1CCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826479740 608332440 /nfs/dbraw/zinc/33/24/40/608332440.db2.gz GZRHNENDAXYOJN-UHFFFAOYSA-N -1 3 396.448 0.828 20 0 GCADHM CC(C)(C)[S@@](=O)CCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824124236 608332483 /nfs/dbraw/zinc/33/24/83/608332483.db2.gz RDKYOIXIRXBPFV-DEOSSOPVSA-N -1 3 389.478 0.972 20 0 GCADHM CC(C)(C)[S@@](=O)CCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824124236 608332485 /nfs/dbraw/zinc/33/24/85/608332485.db2.gz RDKYOIXIRXBPFV-DEOSSOPVSA-N -1 3 389.478 0.972 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1=O ZINC000824901630 608335872 /nfs/dbraw/zinc/33/58/72/608335872.db2.gz ZOGOWVYNHHILRO-LQJRIPTKSA-N -1 3 394.432 0.435 20 0 GCADHM Cc1c(C(=O)NCCNc2ncccc2-c2nnn[n-]2)cnn1C1CCOCC1 ZINC000826234473 608336494 /nfs/dbraw/zinc/33/64/94/608336494.db2.gz YJRDCQIVEZNJKS-UHFFFAOYSA-N -1 3 397.443 0.960 20 0 GCADHM Cc1c(C(=O)NCCNc2ncccc2-c2nn[n-]n2)cnn1C1CCOCC1 ZINC000826234473 608336495 /nfs/dbraw/zinc/33/64/95/608336495.db2.gz YJRDCQIVEZNJKS-UHFFFAOYSA-N -1 3 397.443 0.960 20 0 GCADHM NC(=O)C[C@@H]1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826390554 608337789 /nfs/dbraw/zinc/33/77/89/608337789.db2.gz DPBWAICHXZEYRO-JTQLQIEISA-N -1 3 382.421 0.423 20 0 GCADHM NC(=O)C[C@@H]1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826390554 608337791 /nfs/dbraw/zinc/33/77/91/608337791.db2.gz DPBWAICHXZEYRO-JTQLQIEISA-N -1 3 382.421 0.423 20 0 GCADHM COCCCOC1CN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826156775 608338001 /nfs/dbraw/zinc/33/80/01/608338001.db2.gz SXGVUJDBROMNNU-UHFFFAOYSA-N -1 3 385.421 0.573 20 0 GCADHM COCCCOC1CN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826156775 608338004 /nfs/dbraw/zinc/33/80/04/608338004.db2.gz SXGVUJDBROMNNU-UHFFFAOYSA-N -1 3 385.421 0.573 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CCCn2ncnc21 ZINC000826485928 608338428 /nfs/dbraw/zinc/33/84/28/608338428.db2.gz IVWUYODQCHLACQ-GFCCVEGCSA-N -1 3 378.393 0.552 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@@H](C)C1 ZINC000823981770 608338721 /nfs/dbraw/zinc/33/87/21/608338721.db2.gz RBEMLFIWCYQUBP-JTQLQIEISA-N -1 3 382.421 0.388 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@@H](C)C1 ZINC000823981770 608338724 /nfs/dbraw/zinc/33/87/24/608338724.db2.gz RBEMLFIWCYQUBP-JTQLQIEISA-N -1 3 382.421 0.388 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@H]1CCc2c[nH]nc2C1 ZINC000826486129 608340097 /nfs/dbraw/zinc/34/00/97/608340097.db2.gz QBXFGAPRWOJLPZ-LBPRGKRZSA-N -1 3 377.405 0.706 20 0 GCADHM C[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)[C@H]1CN(C)CCO1 ZINC000824633936 608340288 /nfs/dbraw/zinc/34/02/88/608340288.db2.gz RWQDJQNSMSMFIL-IINYFYTJSA-N -1 3 384.437 0.144 20 0 GCADHM C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824465176 608340529 /nfs/dbraw/zinc/34/05/29/608340529.db2.gz LYMDCZNTAFULBQ-SNVBAGLBSA-N -1 3 386.420 0.158 20 0 GCADHM C[C@H](Cn1ccnc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824465176 608340530 /nfs/dbraw/zinc/34/05/30/608340530.db2.gz LYMDCZNTAFULBQ-SNVBAGLBSA-N -1 3 386.420 0.158 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826308470 608341224 /nfs/dbraw/zinc/34/12/24/608341224.db2.gz ASSFBJMARJIDQC-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826308470 608341226 /nfs/dbraw/zinc/34/12/26/608341226.db2.gz ASSFBJMARJIDQC-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM O=C1OCC[C@@H]2CN(S(=O)(=O)Cc3cc(-c4nnn[n-]4)ccc3F)CCN12 ZINC000826483543 608343139 /nfs/dbraw/zinc/34/31/39/608343139.db2.gz REIMDKUULIELFR-GFCCVEGCSA-N -1 3 396.404 0.362 20 0 GCADHM O=C1OCC[C@@H]2CN(S(=O)(=O)Cc3cc(-c4nn[n-]n4)ccc3F)CCN12 ZINC000826483543 608343141 /nfs/dbraw/zinc/34/31/41/608343141.db2.gz REIMDKUULIELFR-GFCCVEGCSA-N -1 3 396.404 0.362 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CCc2nccn2C1 ZINC000826486097 608343282 /nfs/dbraw/zinc/34/32/82/608343282.db2.gz OYPGXLLBJGRLSK-GFCCVEGCSA-N -1 3 377.405 0.637 20 0 GCADHM CCN(C(=O)CN1CCC(=O)NC1=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371571 608347062 /nfs/dbraw/zinc/34/70/62/608347062.db2.gz IRCHKJCFASWRPD-UHFFFAOYSA-N -1 3 377.792 0.815 20 0 GCADHM CCN(C(=O)CN1CCC(=O)NC1=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371571 608347063 /nfs/dbraw/zinc/34/70/63/608347063.db2.gz IRCHKJCFASWRPD-UHFFFAOYSA-N -1 3 377.792 0.815 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000826169323 608353069 /nfs/dbraw/zinc/35/30/69/608353069.db2.gz OYZQGJGPVHWJIS-OAHLLOKOSA-N -1 3 392.485 0.180 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000826169323 608353071 /nfs/dbraw/zinc/35/30/71/608353071.db2.gz OYZQGJGPVHWJIS-OAHLLOKOSA-N -1 3 392.485 0.180 20 0 GCADHM CCN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H]1C ZINC000825458990 608358632 /nfs/dbraw/zinc/35/86/32/608358632.db2.gz GTNMEXOBSBKTKX-LLVKDONJSA-N -1 3 389.464 0.309 20 0 GCADHM CCN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H]1C ZINC000825458990 608358633 /nfs/dbraw/zinc/35/86/33/608358633.db2.gz GTNMEXOBSBKTKX-LLVKDONJSA-N -1 3 389.464 0.309 20 0 GCADHM CCN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H]1C ZINC000825458992 608358646 /nfs/dbraw/zinc/35/86/46/608358646.db2.gz GTNMEXOBSBKTKX-NSHDSACASA-N -1 3 389.464 0.309 20 0 GCADHM CCN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H]1C ZINC000825458992 608358647 /nfs/dbraw/zinc/35/86/47/608358647.db2.gz GTNMEXOBSBKTKX-NSHDSACASA-N -1 3 389.464 0.309 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824103713 608359626 /nfs/dbraw/zinc/35/96/26/608359626.db2.gz IFHKXEMYUYMDOS-UHFFFAOYSA-N -1 3 387.400 0.541 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824103713 608359628 /nfs/dbraw/zinc/35/96/28/608359628.db2.gz IFHKXEMYUYMDOS-UHFFFAOYSA-N -1 3 387.400 0.541 20 0 GCADHM C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824406960 608360662 /nfs/dbraw/zinc/36/06/62/608360662.db2.gz TWNLYXMDSGMLPT-NRYVIMAVSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CC[S@](C)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824406960 608360664 /nfs/dbraw/zinc/36/06/64/608360664.db2.gz TWNLYXMDSGMLPT-NRYVIMAVSA-N -1 3 384.849 0.732 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)CC[S@](C)=O ZINC000825620576 608361759 /nfs/dbraw/zinc/36/17/59/608361759.db2.gz 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CC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)[C@@H](C)C1 ZINC000823972397 608362184 /nfs/dbraw/zinc/36/21/84/608362184.db2.gz ADNNLOQZYVGFBC-HZMBPMFUSA-N -1 3 385.428 0.487 20 0 GCADHM CC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)[C@@H](C)C1 ZINC000823972397 608362186 /nfs/dbraw/zinc/36/21/86/608362186.db2.gz ADNNLOQZYVGFBC-HZMBPMFUSA-N -1 3 385.428 0.487 20 0 GCADHM COCCCOCCN(C)C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826156438 608364481 /nfs/dbraw/zinc/36/44/81/608364481.db2.gz CWXDOYJEMROSBO-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM COCCCOCCN(C)C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826156438 608364483 /nfs/dbraw/zinc/36/44/83/608364483.db2.gz CWXDOYJEMROSBO-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826434911 608364588 /nfs/dbraw/zinc/36/45/88/608364588.db2.gz BBNQQFMNTYQRPZ-NSHDSACASA-N -1 3 390.375 0.746 20 0 GCADHM O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826434911 608364590 /nfs/dbraw/zinc/36/45/90/608364590.db2.gz BBNQQFMNTYQRPZ-NSHDSACASA-N -1 3 390.375 0.746 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)c1-c1nnn[n-]1 ZINC000826298804 608364594 /nfs/dbraw/zinc/36/45/94/608364594.db2.gz HPVZNVJGMJUKPS-GFCCVEGCSA-N -1 3 386.412 0.916 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)c1-c1nn[n-]n1 ZINC000826298804 608364596 /nfs/dbraw/zinc/36/45/96/608364596.db2.gz HPVZNVJGMJUKPS-GFCCVEGCSA-N -1 3 386.412 0.916 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)c1-c1nnn[n-]1 ZINC000826298805 608364658 /nfs/dbraw/zinc/36/46/58/608364658.db2.gz HPVZNVJGMJUKPS-LBPRGKRZSA-N -1 3 386.412 0.916 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)c1-c1nn[n-]n1 ZINC000826298805 608364660 /nfs/dbraw/zinc/36/46/60/608364660.db2.gz HPVZNVJGMJUKPS-LBPRGKRZSA-N -1 3 386.412 0.916 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCO[C@@H](CNc2cccnn2)C1 ZINC000826169943 608367267 /nfs/dbraw/zinc/36/72/67/608367267.db2.gz KEKZALYSGOQQHT-HNNXBMFYSA-N -1 3 382.428 0.978 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCO[C@@H](CNc2cccnn2)C1 ZINC000826169943 608367268 /nfs/dbraw/zinc/36/72/68/608367268.db2.gz KEKZALYSGOQQHT-HNNXBMFYSA-N -1 3 382.428 0.978 20 0 GCADHM O=C1CCc2cc(OC[C@@H](O)CNc3ccc(-c4nnn[n-]4)nc3)ccc2N1 ZINC000826480951 608376024 /nfs/dbraw/zinc/37/60/24/608376024.db2.gz ZKLWEPXBFLYALH-ZDUSSCGKSA-N -1 3 381.396 0.998 20 0 GCADHM O=C1CCc2cc(OC[C@@H](O)CNc3ccc(-c4nn[n-]n4)nc3)ccc2N1 ZINC000826480951 608376026 /nfs/dbraw/zinc/37/60/26/608376026.db2.gz ZKLWEPXBFLYALH-ZDUSSCGKSA-N -1 3 381.396 0.998 20 0 GCADHM O=C1CCc2cc(OC[C@H](O)CNc3cnccc3-c3nnn[n-]3)ccc2N1 ZINC000826480866 608376509 /nfs/dbraw/zinc/37/65/09/608376509.db2.gz VFPCXMQQMFKSJT-GFCCVEGCSA-N -1 3 381.396 0.998 20 0 GCADHM O=C1CCc2cc(OC[C@H](O)CNc3cnccc3-c3nn[n-]n3)ccc2N1 ZINC000826480866 608376512 /nfs/dbraw/zinc/37/65/12/608376512.db2.gz VFPCXMQQMFKSJT-GFCCVEGCSA-N -1 3 381.396 0.998 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCC1(C(N)=O)CCOCC1 ZINC000826268449 608380049 /nfs/dbraw/zinc/38/00/49/608380049.db2.gz XRZJFTYVGKMPIR-UHFFFAOYSA-N -1 3 385.403 0.978 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCC1(C(N)=O)CCOCC1 ZINC000826268449 608380051 /nfs/dbraw/zinc/38/00/51/608380051.db2.gz XRZJFTYVGKMPIR-UHFFFAOYSA-N -1 3 385.403 0.978 20 0 GCADHM CC(=O)C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823968058 608381724 /nfs/dbraw/zinc/38/17/24/608381724.db2.gz ULNODZBOUQAIGN-MWLCHTKSSA-N -1 3 380.430 0.017 20 0 GCADHM CC(=O)C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823968058 608381726 /nfs/dbraw/zinc/38/17/26/608381726.db2.gz ULNODZBOUQAIGN-MWLCHTKSSA-N -1 3 380.430 0.017 20 0 GCADHM CN(CC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCSC1 ZINC000825898069 608382439 /nfs/dbraw/zinc/38/24/39/608382439.db2.gz XWKLUKRCRDOZIL-JSGCOSHPSA-N -1 3 376.442 0.374 20 0 GCADHM CN(CC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCSC1 ZINC000825898069 608382440 /nfs/dbraw/zinc/38/24/40/608382440.db2.gz XWKLUKRCRDOZIL-JSGCOSHPSA-N 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ZINC000825846383 608418130 /nfs/dbraw/zinc/41/81/30/608418130.db2.gz ZFZGBSMCIZLQGJ-UHFFFAOYSA-N -1 3 389.441 0.386 20 0 GCADHM CN(C)C(=O)c1cc(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)cn1C ZINC000825846147 608418210 /nfs/dbraw/zinc/41/82/10/608418210.db2.gz TUOVJLVZSPVWBH-UHFFFAOYSA-N -1 3 376.398 0.675 20 0 GCADHM CN(C)C(=O)c1cc(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)cn1C ZINC000825846147 608418212 /nfs/dbraw/zinc/41/82/12/608418212.db2.gz TUOVJLVZSPVWBH-UHFFFAOYSA-N -1 3 376.398 0.675 20 0 GCADHM CN(CCCn1ccnc1)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825937427 608418448 /nfs/dbraw/zinc/41/84/48/608418448.db2.gz DGAOFHJWECJNKL-UHFFFAOYSA-N -1 3 375.458 0.859 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C[C@@H](O)C(F)(F)F ZINC000825946448 608420416 /nfs/dbraw/zinc/42/04/16/608420416.db2.gz YOYGBWJRJPSJFH-LLVKDONJSA-N -1 3 379.364 0.495 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C[C@@H](O)C(F)(F)F ZINC000825946448 608420418 /nfs/dbraw/zinc/42/04/18/608420418.db2.gz YOYGBWJRJPSJFH-LLVKDONJSA-N -1 3 379.364 0.495 20 0 GCADHM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000825834238 608420501 /nfs/dbraw/zinc/42/05/01/608420501.db2.gz SQKPTRHPNDPTEW-HUUCEWRRSA-N -1 3 387.444 0.644 20 0 GCADHM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000825834238 608420502 /nfs/dbraw/zinc/42/05/02/608420502.db2.gz SQKPTRHPNDPTEW-HUUCEWRRSA-N -1 3 387.444 0.644 20 0 GCADHM CO[C@H]1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826145231 608421552 /nfs/dbraw/zinc/42/15/52/608421552.db2.gz CAKDZGCAMXTUGE-HIFRSBDPSA-N -1 3 386.460 0.908 20 0 GCADHM CO[C@H]1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826145231 608421554 /nfs/dbraw/zinc/42/15/54/608421554.db2.gz CAKDZGCAMXTUGE-HIFRSBDPSA-N -1 3 386.460 0.908 20 0 GCADHM CO[C@@H]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826145186 608421966 /nfs/dbraw/zinc/42/19/66/608421966.db2.gz BGEVCSZOROXLJX-DZGCQCFKSA-N -1 3 386.460 0.908 20 0 GCADHM 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COCCN1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1=O ZINC000826159372 608588339 /nfs/dbraw/zinc/58/83/39/608588339.db2.gz CQUUVXOTNAHMFV-UHFFFAOYSA-N -1 3 384.400 0.207 20 0 GCADHM COCCN1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1=O ZINC000826159372 608588341 /nfs/dbraw/zinc/58/83/41/608588341.db2.gz CQUUVXOTNAHMFV-UHFFFAOYSA-N -1 3 384.400 0.207 20 0 GCADHM COCCN1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1=O ZINC000826159751 608590522 /nfs/dbraw/zinc/59/05/22/608590522.db2.gz QMNPGPKYOMXRCN-UHFFFAOYSA-N -1 3 384.400 0.207 20 0 GCADHM COCCN1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1=O ZINC000826159751 608590524 /nfs/dbraw/zinc/59/05/24/608590524.db2.gz QMNPGPKYOMXRCN-UHFFFAOYSA-N -1 3 384.400 0.207 20 0 GCADHM COc1ccc(CNC(=O)NCc2ccnc(N(C)C)n2)cc1-c1nnn[n-]1 ZINC000826200633 608591124 /nfs/dbraw/zinc/59/11/24/608591124.db2.gz ZYUPFFOANYKKIY-UHFFFAOYSA-N -1 3 383.416 0.731 20 0 GCADHM COc1ccc(CNC(=O)NCc2ccnc(N(C)C)n2)cc1-c1nn[n-]n1 ZINC000826200633 608591126 /nfs/dbraw/zinc/59/11/26/608591126.db2.gz 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O=C(NCCn1cncn1)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826440356 608615898 /nfs/dbraw/zinc/61/58/98/608615898.db2.gz KCOZSRANIDWAPL-UHFFFAOYSA-N -1 3 398.431 0.543 20 0 GCADHM O=C(NCCn1cncn1)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826440356 608615899 /nfs/dbraw/zinc/61/58/99/608615899.db2.gz KCOZSRANIDWAPL-UHFFFAOYSA-N -1 3 398.431 0.543 20 0 GCADHM C[C@@H](CC(N)=O)NC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824394288 608621351 /nfs/dbraw/zinc/62/13/51/608621351.db2.gz XAIUURGNFLZNQY-PKSQDBQZSA-N -1 3 388.432 0.515 20 0 GCADHM C[C@@H](CC(N)=O)NC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824394288 608621354 /nfs/dbraw/zinc/62/13/54/608621354.db2.gz XAIUURGNFLZNQY-PKSQDBQZSA-N -1 3 388.432 0.515 20 0 GCADHM C[C@@]1(CCC(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC(=O)N1 ZINC000824819019 608629260 /nfs/dbraw/zinc/62/92/60/608629260.db2.gz WSDCKBPTVQNERO-KUHUBIRLSA-N -1 3 398.423 0.964 20 0 GCADHM C[C@@]1(CCC(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC(=O)N1 ZINC000824819019 608629261 /nfs/dbraw/zinc/62/92/61/608629261.db2.gz WSDCKBPTVQNERO-KUHUBIRLSA-N -1 3 398.423 0.964 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825465255 608629546 /nfs/dbraw/zinc/62/95/46/608629546.db2.gz JENIJPRNCRHKOB-CYBMUJFWSA-N -1 3 394.819 0.723 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825465255 608629550 /nfs/dbraw/zinc/62/95/50/608629550.db2.gz JENIJPRNCRHKOB-CYBMUJFWSA-N -1 3 394.819 0.723 20 0 GCADHM Cn1cc(OC(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826362527 608671952 /nfs/dbraw/zinc/67/19/52/608671952.db2.gz WRAQYXXMCNYCPN-CYBMUJFWSA-N -1 3 396.367 0.411 20 0 GCADHM Cn1cc(OC(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826362527 608671953 /nfs/dbraw/zinc/67/19/53/608671953.db2.gz WRAQYXXMCNYCPN-CYBMUJFWSA-N -1 3 396.367 0.411 20 0 GCADHM COCCCNC(=O)[C@H](C)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826155857 608677398 /nfs/dbraw/zinc/67/73/98/608677398.db2.gz FIQMCLOORDEYFI-ZDUSSCGKSA-N -1 3 393.517 0.587 20 0 GCADHM COCCCNC(=O)[C@H](C)N1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826155857 608677401 /nfs/dbraw/zinc/67/74/01/608677401.db2.gz FIQMCLOORDEYFI-ZDUSSCGKSA-N -1 3 393.517 0.587 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824984830 608689946 /nfs/dbraw/zinc/68/99/46/608689946.db2.gz OANIFBKEOYSFLM-ZIAGYGMSSA-N -1 3 377.518 0.765 20 0 GCADHM CCc1nc(CN2CCN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)no1 ZINC000825746530 608693860 /nfs/dbraw/zinc/69/38/60/608693860.db2.gz YSJHCKVQNBIUSB-UHFFFAOYSA-N -1 3 394.443 0.778 20 0 GCADHM CCc1nc(CN2CCN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)no1 ZINC000825746530 608693861 /nfs/dbraw/zinc/69/38/61/608693861.db2.gz YSJHCKVQNBIUSB-UHFFFAOYSA-N -1 3 394.443 0.778 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(n2ccnn2)CC1 ZINC000826495093 608806684 /nfs/dbraw/zinc/80/66/84/608806684.db2.gz CEHOSKLQLXKZSN-UHFFFAOYSA-N -1 3 378.393 0.623 20 0 GCADHM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826481881 608824326 /nfs/dbraw/zinc/82/43/26/608824326.db2.gz KUHGZUZRHDORIU-LLVKDONJSA-N -1 3 383.393 0.931 20 0 GCADHM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826481881 608824329 /nfs/dbraw/zinc/82/43/29/608824329.db2.gz KUHGZUZRHDORIU-LLVKDONJSA-N -1 3 383.393 0.931 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)cn2)(C(=O)OC)CC1 ZINC000826132146 608826414 /nfs/dbraw/zinc/82/64/14/608826414.db2.gz BIOKIHBCJVUZOY-UHFFFAOYSA-N -1 3 388.384 0.267 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)cn2)(C(=O)OC)CC1 ZINC000826132146 608826417 /nfs/dbraw/zinc/82/64/17/608826417.db2.gz BIOKIHBCJVUZOY-UHFFFAOYSA-N -1 3 388.384 0.267 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826157261 608847686 /nfs/dbraw/zinc/84/76/86/608847686.db2.gz NKDGRJDTBSXDRO-UHFFFAOYSA-N -1 3 386.503 0.412 20 0 GCADHM Cc1cc(N2CCN(C(=O)Cn3ccnc3-c3nnn[n-]3)CC2)nc(C(C)C)n1 ZINC000826269269 608892966 /nfs/dbraw/zinc/89/29/66/608892966.db2.gz GVMNJLWUUAYAMK-UHFFFAOYSA-N -1 3 396.459 0.634 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)o1 ZINC000826335280 609134438 /nfs/dbraw/zinc/13/44/38/609134438.db2.gz HFSNWGWSTPHYDO-CYBMUJFWSA-N -1 3 382.384 0.412 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)o1 ZINC000826335280 609134439 /nfs/dbraw/zinc/13/44/39/609134439.db2.gz HFSNWGWSTPHYDO-CYBMUJFWSA-N -1 3 382.384 0.412 20 0 GCADHM Cc1cc(OCC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)no1 ZINC000826271652 609134450 /nfs/dbraw/zinc/13/44/50/609134450.db2.gz AWBAWKILQQOGHE-AWEZNQCLSA-N -1 3 397.395 0.854 20 0 GCADHM Cc1cc(OCC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)no1 ZINC000826271652 609134451 /nfs/dbraw/zinc/13/44/51/609134451.db2.gz AWBAWKILQQOGHE-AWEZNQCLSA-N -1 3 397.395 0.854 20 0 GCADHM O=C(CCn1ccnc1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826409904 609135959 /nfs/dbraw/zinc/13/59/59/609135959.db2.gz TWIBCVOYTFSODU-HNNXBMFYSA-N -1 3 380.412 0.765 20 0 GCADHM CN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)Cc1cnc(N(C)C)nc1 ZINC000825892529 609140345 /nfs/dbraw/zinc/14/03/45/609140345.db2.gz OBTBFHNOTSMHJS-UHFFFAOYSA-N -1 3 381.444 0.471 20 0 GCADHM CN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)Cc1cnc(N(C)C)nc1 ZINC000825892529 609140346 /nfs/dbraw/zinc/14/03/46/609140346.db2.gz OBTBFHNOTSMHJS-UHFFFAOYSA-N -1 3 381.444 0.471 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H](C(=O)OC)C1 ZINC000826132086 609144286 /nfs/dbraw/zinc/14/42/86/609144286.db2.gz AVJHVUSHWNZPKF-RISCZKNCSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)[C@H](C(=O)OC)C1 ZINC000826132086 609144288 /nfs/dbraw/zinc/14/42/88/609144288.db2.gz AVJHVUSHWNZPKF-RISCZKNCSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2cc(-c3nnn[n-]3)ccc2OC)[C@H](C(=O)OC)C1 ZINC000826133270 609144331 /nfs/dbraw/zinc/14/43/31/609144331.db2.gz LDGWUFWPHFKCRL-JSGCOSHPSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2OC)[C@H](C(=O)OC)C1 ZINC000826133270 609144332 /nfs/dbraw/zinc/14/43/32/609144332.db2.gz LDGWUFWPHFKCRL-JSGCOSHPSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC)[C@H](C(=O)OC)C1 ZINC000826132057 609144355 /nfs/dbraw/zinc/14/43/55/609144355.db2.gz ASJHWKZYEWNRGN-OCCSQVGLSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC)[C@H](C(=O)OC)C1 ZINC000826132057 609144356 /nfs/dbraw/zinc/14/43/56/609144356.db2.gz ASJHWKZYEWNRGN-OCCSQVGLSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2ccc(OC)c(-c3nnn[n-]3)c2)[C@H](C(=O)OC)C1 ZINC000826133247 609144700 /nfs/dbraw/zinc/14/47/00/609144700.db2.gz KYANNDYIEJDDGZ-JSGCOSHPSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2ccc(OC)c(-c3nn[n-]n3)c2)[C@H](C(=O)OC)C1 ZINC000826133247 609144702 /nfs/dbraw/zinc/14/47/02/609144702.db2.gz KYANNDYIEJDDGZ-JSGCOSHPSA-N -1 3 389.412 0.802 20 0 GCADHM Cn1cnc(-c2ccc(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC000826364725 609146439 /nfs/dbraw/zinc/14/64/39/609146439.db2.gz IIRCRIBWRXYXMC-UHFFFAOYSA-N -1 3 390.411 0.899 20 0 GCADHM Cn1cnc(-c2ccc(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC000826364725 609146441 /nfs/dbraw/zinc/14/64/41/609146441.db2.gz IIRCRIBWRXYXMC-UHFFFAOYSA-N -1 3 390.411 0.899 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)CN2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258329 609147739 /nfs/dbraw/zinc/14/77/39/609147739.db2.gz HLPKABVZMDPSSQ-ZDUSSCGKSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)CN2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258329 609147741 /nfs/dbraw/zinc/14/77/41/609147741.db2.gz HLPKABVZMDPSSQ-ZDUSSCGKSA-N -1 3 396.455 0.811 20 0 GCADHM CC(C)N1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000824301199 609148848 /nfs/dbraw/zinc/14/88/48/609148848.db2.gz SNNZYHHGIXPXPE-INIZCTEOSA-N -1 3 383.456 0.915 20 0 GCADHM CC(C)N1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000824301199 609148849 /nfs/dbraw/zinc/14/88/49/609148849.db2.gz SNNZYHHGIXPXPE-INIZCTEOSA-N -1 3 383.456 0.915 20 0 GCADHM Cc1cc(C(=O)OC[C@@H]2CC(=O)N(C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261049 609153627 /nfs/dbraw/zinc/15/36/27/609153627.db2.gz OZDLYFZALGPOJF-GFCCVEGCSA-N -1 3 381.396 0.996 20 0 GCADHM Cc1cc(C(=O)OC[C@@H]2CC(=O)N(C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261049 609153628 /nfs/dbraw/zinc/15/36/28/609153628.db2.gz OZDLYFZALGPOJF-GFCCVEGCSA-N -1 3 381.396 0.996 20 0 GCADHM Cn1cc(NC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826362297 609153980 /nfs/dbraw/zinc/15/39/80/609153980.db2.gz MIGLTDXSRGAMCI-AWEZNQCLSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1cc(NC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826362297 609153981 /nfs/dbraw/zinc/15/39/81/609153981.db2.gz MIGLTDXSRGAMCI-AWEZNQCLSA-N -1 3 381.400 0.917 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)C[C@H](C)O1 ZINC000736285918 609158617 /nfs/dbraw/zinc/15/86/17/609158617.db2.gz KYPRFCDKGUEJMC-BETUJISGSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C[C@H](C)O1 ZINC000736285918 609158619 /nfs/dbraw/zinc/15/86/19/609158619.db2.gz KYPRFCDKGUEJMC-BETUJISGSA-N -1 3 385.428 0.698 20 0 GCADHM O=C(Nc1cccnn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826457607 609160962 /nfs/dbraw/zinc/16/09/62/609160962.db2.gz IUWRYLNQENICDD-ZDUSSCGKSA-N -1 3 379.384 0.974 20 0 GCADHM O=C(Nc1cccnn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826457607 609160964 /nfs/dbraw/zinc/16/09/64/609160964.db2.gz IUWRYLNQENICDD-ZDUSSCGKSA-N -1 3 379.384 0.974 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258541 609162025 /nfs/dbraw/zinc/16/20/25/609162025.db2.gz OAZSYGSSZRHGQC-ZDUSSCGKSA-N -1 3 392.423 0.854 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258541 609162027 /nfs/dbraw/zinc/16/20/27/609162027.db2.gz OAZSYGSSZRHGQC-ZDUSSCGKSA-N -1 3 392.423 0.854 20 0 GCADHM C[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21)S(N)(=O)=O ZINC000824427040 609165869 /nfs/dbraw/zinc/16/58/69/609165869.db2.gz KEFUDKDSAOZBLR-ZETCQYMHSA-N -1 3 399.383 0.527 20 0 GCADHM C[C@@H](CNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21)S(N)(=O)=O ZINC000824427040 609165870 /nfs/dbraw/zinc/16/58/70/609165870.db2.gz KEFUDKDSAOZBLR-ZETCQYMHSA-N -1 3 399.383 0.527 20 0 GCADHM CCOC(=O)c1c(NC(=O)C2=COCCO2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560898 609169135 /nfs/dbraw/zinc/16/91/35/609169135.db2.gz XBGONAJCROWHTH-UHFFFAOYSA-N -1 3 392.372 0.318 20 0 GCADHM CCOC(=O)c1c(NC(=O)C2=COCCO2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560898 609169137 /nfs/dbraw/zinc/16/91/37/609169137.db2.gz XBGONAJCROWHTH-UHFFFAOYSA-N -1 3 392.372 0.318 20 0 GCADHM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3ccc(-c4nnn[n-]4)[nH]3)no2)cn1 ZINC000826356481 609171310 /nfs/dbraw/zinc/17/13/10/609171310.db2.gz SKCZOGBAMRUAFF-LBPRGKRZSA-N -1 3 396.371 0.192 20 0 GCADHM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3ccc(-c4nn[n-]n4)[nH]3)no2)cn1 ZINC000826356481 609171311 /nfs/dbraw/zinc/17/13/11/609171311.db2.gz SKCZOGBAMRUAFF-LBPRGKRZSA-N -1 3 396.371 0.192 20 0 GCADHM CCCCCN(CC(N)=O)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000825270808 609173527 /nfs/dbraw/zinc/17/35/27/609173527.db2.gz DQHCRRSOYAMHJI-UHFFFAOYSA-N -1 3 376.417 0.758 20 0 GCADHM CCCCCN(CC(N)=O)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000825270808 609173528 /nfs/dbraw/zinc/17/35/28/609173528.db2.gz DQHCRRSOYAMHJI-UHFFFAOYSA-N -1 3 376.417 0.758 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)o1 ZINC000826392784 609178990 /nfs/dbraw/zinc/17/89/90/609178990.db2.gz MYWZPOPVOWGGEG-GFCCVEGCSA-N -1 3 395.379 0.484 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)o1 ZINC000826392784 609178992 /nfs/dbraw/zinc/17/89/92/609178992.db2.gz MYWZPOPVOWGGEG-GFCCVEGCSA-N -1 3 395.379 0.484 20 0 GCADHM O=C(CCCC(=O)N[C@H]1CCCCNC1=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826405799 609179145 /nfs/dbraw/zinc/17/91/45/609179145.db2.gz UMWGCJRMDUSLIM-AWEZNQCLSA-N -1 3 385.428 0.760 20 0 GCADHM O=C(CCCC(=O)N[C@H]1CCCCNC1=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826405799 609179147 /nfs/dbraw/zinc/17/91/47/609179147.db2.gz UMWGCJRMDUSLIM-AWEZNQCLSA-N -1 3 385.428 0.760 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)o1 ZINC000826392785 609179225 /nfs/dbraw/zinc/17/92/25/609179225.db2.gz MYWZPOPVOWGGEG-LBPRGKRZSA-N -1 3 395.379 0.484 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)o1 ZINC000826392785 609179227 /nfs/dbraw/zinc/17/92/27/609179227.db2.gz MYWZPOPVOWGGEG-LBPRGKRZSA-N -1 3 395.379 0.484 20 0 GCADHM CCc1nnc2n1C[C@@H](NC(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000825771063 609179913 /nfs/dbraw/zinc/17/99/13/609179913.db2.gz IAQOMICJCWDYLK-LBPRGKRZSA-N -1 3 397.447 0.142 20 0 GCADHM CCc1nnc2n1C[C@@H](NC(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000825771063 609179915 /nfs/dbraw/zinc/17/99/15/609179915.db2.gz IAQOMICJCWDYLK-LBPRGKRZSA-N -1 3 397.447 0.142 20 0 GCADHM CCc1nnc2n1C[C@@H](NC(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825770523 609180101 /nfs/dbraw/zinc/18/01/01/609180101.db2.gz AEVSIIXRDXUWOT-ZDUSSCGKSA-N -1 3 397.443 0.714 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)NCc3cc(-c4nnn[n-]4)ccc3F)CCO2)no1 ZINC000826324837 609180648 /nfs/dbraw/zinc/18/06/48/609180648.db2.gz GRRAJJDXRNPGGW-ZDUSSCGKSA-N -1 3 388.363 0.980 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)CCO2)no1 ZINC000826324837 609180650 /nfs/dbraw/zinc/18/06/50/609180650.db2.gz GRRAJJDXRNPGGW-ZDUSSCGKSA-N -1 3 388.363 0.980 20 0 GCADHM O=C(c1ccccc1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474135 609186133 /nfs/dbraw/zinc/18/61/33/609186133.db2.gz BPQUGUPQTXEGCE-KRWDZBQOSA-N -1 3 392.419 0.885 20 0 GCADHM O=C(c1ccccc1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474135 609186134 /nfs/dbraw/zinc/18/61/34/609186134.db2.gz BPQUGUPQTXEGCE-KRWDZBQOSA-N -1 3 392.419 0.885 20 0 GCADHM COc1cccc(C(=O)NCCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826213942 609190469 /nfs/dbraw/zinc/19/04/69/609190469.db2.gz STWLUVYYUMVFPB-INIZCTEOSA-N -1 3 396.407 0.455 20 0 GCADHM COc1cccc(C(=O)NCCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826213942 609190471 /nfs/dbraw/zinc/19/04/71/609190471.db2.gz STWLUVYYUMVFPB-INIZCTEOSA-N -1 3 396.407 0.455 20 0 GCADHM O=C(NCCc1nnc2n1CCCCC2)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439699 609191475 /nfs/dbraw/zinc/19/14/75/609191475.db2.gz GHWMWPLUBSFSLC-MRXNPFEDSA-N -1 3 382.428 0.577 20 0 GCADHM O=C(NCCc1nnc2n1CCCCC2)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439699 609191476 /nfs/dbraw/zinc/19/14/76/609191476.db2.gz GHWMWPLUBSFSLC-MRXNPFEDSA-N -1 3 382.428 0.577 20 0 GCADHM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826460651 609194065 /nfs/dbraw/zinc/19/40/65/609194065.db2.gz LWGYYJBJCAMROR-STQMWFEESA-N -1 3 399.436 0.986 20 0 GCADHM O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826460651 609194067 /nfs/dbraw/zinc/19/40/67/609194067.db2.gz LWGYYJBJCAMROR-STQMWFEESA-N -1 3 399.436 0.986 20 0 GCADHM O=C(NCCNC(=O)c1ccn[nH]1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826437283 609194391 /nfs/dbraw/zinc/19/43/91/609194391.db2.gz DRKMKYZIVRVROY-UHFFFAOYSA-N -1 3 381.400 0.308 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824763494 609194837 /nfs/dbraw/zinc/19/48/37/609194837.db2.gz MTMGBYCPCIVTPP-SECBINFHSA-N -1 3 375.414 0.675 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824763494 609194839 /nfs/dbraw/zinc/19/48/39/609194839.db2.gz MTMGBYCPCIVTPP-SECBINFHSA-N -1 3 375.414 0.675 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000825627103 609194952 /nfs/dbraw/zinc/19/49/52/609194952.db2.gz TWJBRMGRBSCQLD-UHFFFAOYSA-N -1 3 385.388 0.540 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1-n1cnnn1 ZINC000826290363 609196532 /nfs/dbraw/zinc/19/65/32/609196532.db2.gz KHOKRWZZBYCUKQ-HNNXBMFYSA-N -1 3 377.368 0.823 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1-n1cnnn1 ZINC000826290363 609196533 /nfs/dbraw/zinc/19/65/33/609196533.db2.gz KHOKRWZZBYCUKQ-HNNXBMFYSA-N -1 3 377.368 0.823 20 0 GCADHM CCOCCCNC(=O)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000825594276 609196747 /nfs/dbraw/zinc/19/67/47/609196747.db2.gz JIHPAYVLSJHPCJ-UHFFFAOYSA-N -1 3 375.433 0.590 20 0 GCADHM CCOCCCNC(=O)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000825594276 609196748 /nfs/dbraw/zinc/19/67/48/609196748.db2.gz JIHPAYVLSJHPCJ-UHFFFAOYSA-N -1 3 375.433 0.590 20 0 GCADHM Cc1nnnn1-c1cccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826338429 609198474 /nfs/dbraw/zinc/19/84/74/609198474.db2.gz VJGHXZIOAOITHS-OAHLLOKOSA-N -1 3 377.368 0.823 20 0 GCADHM Cc1nnnn1-c1cccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826338429 609198475 /nfs/dbraw/zinc/19/84/75/609198475.db2.gz VJGHXZIOAOITHS-OAHLLOKOSA-N -1 3 377.368 0.823 20 0 GCADHM COc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1OCC(N)=O ZINC000826209839 609199330 /nfs/dbraw/zinc/19/93/30/609199330.db2.gz STEKBCVCZLZBGR-MRXNPFEDSA-N -1 3 398.379 0.412 20 0 GCADHM COc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1OCC(N)=O ZINC000826209839 609199331 /nfs/dbraw/zinc/19/93/31/609199331.db2.gz STEKBCVCZLZBGR-MRXNPFEDSA-N -1 3 398.379 0.412 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431110 609201212 /nfs/dbraw/zinc/20/12/12/609201212.db2.gz RTJZSDLBWAFJHP-GJZGRUSLSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431110 609201213 /nfs/dbraw/zinc/20/12/13/609201213.db2.gz RTJZSDLBWAFJHP-GJZGRUSLSA-N -1 3 380.412 0.475 20 0 GCADHM C[C@@H](CCO)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824407639 609201758 /nfs/dbraw/zinc/20/17/58/609201758.db2.gz YLAFDFQUVZBMNE-SWLSCSKDSA-N -1 3 387.444 0.680 20 0 GCADHM C[C@@H](CCO)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824407639 609201759 /nfs/dbraw/zinc/20/17/59/609201759.db2.gz YLAFDFQUVZBMNE-SWLSCSKDSA-N -1 3 387.444 0.680 20 0 GCADHM C[C@H](O)CCN(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824699480 609202565 /nfs/dbraw/zinc/20/25/65/609202565.db2.gz SYLKVJIQEUUDRK-SWLSCSKDSA-N -1 3 387.444 0.774 20 0 GCADHM C[C@H](O)CCN(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824699480 609202566 /nfs/dbraw/zinc/20/25/66/609202566.db2.gz SYLKVJIQEUUDRK-SWLSCSKDSA-N -1 3 387.444 0.774 20 0 GCADHM C[C@@]1(NC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCOC1 ZINC000824830837 609202578 /nfs/dbraw/zinc/20/25/78/609202578.db2.gz MEUGNZCJEBGZPG-KBXCAEBGSA-N -1 3 385.428 0.840 20 0 GCADHM C[C@@]1(NC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCOC1 ZINC000824830837 609202581 /nfs/dbraw/zinc/20/25/81/609202581.db2.gz MEUGNZCJEBGZPG-KBXCAEBGSA-N -1 3 385.428 0.840 20 0 GCADHM CCC[C@@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825248051 609202637 /nfs/dbraw/zinc/20/26/37/609202637.db2.gz MCPPLVVVBBJVQG-CABCVRRESA-N -1 3 387.444 0.822 20 0 GCADHM CCC[C@@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825248051 609202639 /nfs/dbraw/zinc/20/26/39/609202639.db2.gz MCPPLVVVBBJVQG-CABCVRRESA-N -1 3 387.444 0.822 20 0 GCADHM C[C@@]1(NC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCOC1 ZINC000824830844 609202665 /nfs/dbraw/zinc/20/26/65/609202665.db2.gz MEUGNZCJEBGZPG-RDTXWAMCSA-N -1 3 385.428 0.840 20 0 GCADHM C[C@@]1(NC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCOC1 ZINC000824830844 609202667 /nfs/dbraw/zinc/20/26/67/609202667.db2.gz MEUGNZCJEBGZPG-RDTXWAMCSA-N -1 3 385.428 0.840 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000826430172 609202938 /nfs/dbraw/zinc/20/29/38/609202938.db2.gz VWHRYBUXGAJJTL-OWCLPIDISA-N -1 3 397.439 0.935 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000826430172 609202939 /nfs/dbraw/zinc/20/29/39/609202939.db2.gz VWHRYBUXGAJJTL-OWCLPIDISA-N -1 3 397.439 0.935 20 0 GCADHM O=C(N[C@@H](CCO)C1CC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826430706 609203222 /nfs/dbraw/zinc/20/32/22/609203222.db2.gz JJKSPAFNACFVKV-JKSUJKDBSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(N[C@@H](CCO)C1CC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826430706 609203224 /nfs/dbraw/zinc/20/32/24/609203224.db2.gz JJKSPAFNACFVKV-JKSUJKDBSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CC[C@H](CCO)C1 ZINC000826430621 609203233 /nfs/dbraw/zinc/20/32/33/609203233.db2.gz HEOLDTNAQMHRQI-CJNGLKHVSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CC[C@H](CCO)C1 ZINC000826430621 609203235 /nfs/dbraw/zinc/20/32/35/609203235.db2.gz HEOLDTNAQMHRQI-CJNGLKHVSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(NCc1ccccc1OCCN1CCOCC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826443380 609204507 /nfs/dbraw/zinc/20/45/07/609204507.db2.gz MLTJSPBJCYJXEV-UHFFFAOYSA-N -1 3 397.439 0.836 20 0 GCADHM O=C(NCc1ccccc1OCCN1CCOCC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826443380 609204509 /nfs/dbraw/zinc/20/45/09/609204509.db2.gz MLTJSPBJCYJXEV-UHFFFAOYSA-N -1 3 397.439 0.836 20 0 GCADHM O=C(c1cccnc1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826475157 609205584 /nfs/dbraw/zinc/20/55/84/609205584.db2.gz VSRMCAUJEKXPJQ-INIZCTEOSA-N -1 3 393.407 0.280 20 0 GCADHM O=C(c1cccnc1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826475157 609205585 /nfs/dbraw/zinc/20/55/85/609205585.db2.gz VSRMCAUJEKXPJQ-INIZCTEOSA-N -1 3 393.407 0.280 20 0 GCADHM CC[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825043998 609205947 /nfs/dbraw/zinc/20/59/47/609205947.db2.gz LQQYXNWAPJEERK-KDOFPFPSSA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825043998 609205948 /nfs/dbraw/zinc/20/59/48/609205948.db2.gz LQQYXNWAPJEERK-KDOFPFPSSA-N -1 3 387.444 0.822 20 0 GCADHM COCC1(NC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826153034 609206128 /nfs/dbraw/zinc/20/61/28/609206128.db2.gz ZJZYJWSQTAIBNL-CQSZACIVSA-N -1 3 385.428 0.840 20 0 GCADHM COCC1(NC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826153034 609206130 /nfs/dbraw/zinc/20/61/30/609206130.db2.gz ZJZYJWSQTAIBNL-CQSZACIVSA-N -1 3 385.428 0.840 20 0 GCADHM COCC1(NC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826153033 609206140 /nfs/dbraw/zinc/20/61/40/609206140.db2.gz ZJZYJWSQTAIBNL-AWEZNQCLSA-N -1 3 385.428 0.840 20 0 GCADHM COCC1(NC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826153033 609206141 /nfs/dbraw/zinc/20/61/41/609206141.db2.gz ZJZYJWSQTAIBNL-AWEZNQCLSA-N -1 3 385.428 0.840 20 0 GCADHM O=C(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(c2ccccn2)CC1 ZINC000826435548 609206182 /nfs/dbraw/zinc/20/61/82/609206182.db2.gz QTGRFBKRKLXXKY-UHFFFAOYSA-N -1 3 395.427 0.059 20 0 GCADHM O=C(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(c2ccccn2)CC1 ZINC000826435548 609206183 /nfs/dbraw/zinc/20/61/83/609206183.db2.gz QTGRFBKRKLXXKY-UHFFFAOYSA-N -1 3 395.427 0.059 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N[C@H]1CCCC[C@H]1O ZINC000826430893 609206592 /nfs/dbraw/zinc/20/65/92/609206592.db2.gz MLJVEOWNTXHCAS-ARFHVFGLSA-N -1 3 399.455 0.965 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N[C@H]1CCCC[C@H]1O ZINC000826430893 609206594 /nfs/dbraw/zinc/20/65/94/609206594.db2.gz MLJVEOWNTXHCAS-ARFHVFGLSA-N -1 3 399.455 0.965 20 0 GCADHM O=C(NCC1(O)CCCC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826433935 609206879 /nfs/dbraw/zinc/20/68/79/609206879.db2.gz WFFSNRYRSCTSJM-HNNXBMFYSA-N -1 3 399.455 0.966 20 0 GCADHM O=C(NCC1(O)CCCC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826433935 609206881 /nfs/dbraw/zinc/20/68/81/609206881.db2.gz WFFSNRYRSCTSJM-HNNXBMFYSA-N -1 3 399.455 0.966 20 0 GCADHM O=C(N[C@@H](CO)CC1CC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826426310 609206913 /nfs/dbraw/zinc/20/69/13/609206913.db2.gz KTDBSQCJABZQSC-ZBFHGGJFSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(N[C@@H](CO)CC1CC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826426310 609206915 /nfs/dbraw/zinc/20/69/15/609206915.db2.gz KTDBSQCJABZQSC-ZBFHGGJFSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000826469029 609210768 /nfs/dbraw/zinc/21/07/68/609210768.db2.gz RGOKIVWRSZFKPV-UHFFFAOYSA-N -1 3 396.455 0.955 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826197130 609213622 /nfs/dbraw/zinc/21/36/22/609213622.db2.gz AXBIXRICQWJDPN-KRWDZBQOSA-N -1 3 396.407 0.341 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826197130 609213624 /nfs/dbraw/zinc/21/36/24/609213624.db2.gz AXBIXRICQWJDPN-KRWDZBQOSA-N -1 3 396.407 0.341 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cn2)C[C@@H](C)O1 ZINC000824967209 609217072 /nfs/dbraw/zinc/21/70/72/609217072.db2.gz HYRQPQDZJPNSAS-GHMZBOCLSA-N -1 3 399.415 0.279 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cn2)C[C@@H](C)O1 ZINC000824967209 609217074 /nfs/dbraw/zinc/21/70/74/609217074.db2.gz HYRQPQDZJPNSAS-GHMZBOCLSA-N -1 3 399.415 0.279 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824364361 609217779 /nfs/dbraw/zinc/21/77/79/609217779.db2.gz CKEJKVLXAMGTAK-HIFRSBDPSA-N -1 3 382.428 0.746 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NC(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824364361 609217781 /nfs/dbraw/zinc/21/77/81/609217781.db2.gz CKEJKVLXAMGTAK-HIFRSBDPSA-N -1 3 382.428 0.746 20 0 GCADHM O=C(NCC1CC1)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826434732 609218486 /nfs/dbraw/zinc/21/84/86/609218486.db2.gz VWHBMXXZJFSHTC-ZIAGYGMSSA-N -1 3 388.453 0.328 20 0 GCADHM O=C(NCC1CC1)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826434732 609218488 /nfs/dbraw/zinc/21/84/88/609218488.db2.gz VWHBMXXZJFSHTC-ZIAGYGMSSA-N -1 3 388.453 0.328 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000826482968 609219302 /nfs/dbraw/zinc/21/93/02/609219302.db2.gz WKGYSWWTBNULTM-HOTGVXAUSA-N -1 3 378.392 0.600 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000826482968 609219303 /nfs/dbraw/zinc/21/93/03/609219303.db2.gz WKGYSWWTBNULTM-HOTGVXAUSA-N -1 3 378.392 0.600 20 0 GCADHM CN(C)Cc1nc(C(C)(C)NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000825870176 609219677 /nfs/dbraw/zinc/21/96/77/609219677.db2.gz COVTUOGGSOSJLD-ZDUSSCGKSA-N -1 3 386.416 0.396 20 0 GCADHM CN(C)Cc1nc(C(C)(C)NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000825870176 609219680 /nfs/dbraw/zinc/21/96/80/609219680.db2.gz COVTUOGGSOSJLD-ZDUSSCGKSA-N -1 3 386.416 0.396 20 0 GCADHM CC(C)(C)c1nc(CN2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)no1 ZINC000824141621 609224812 /nfs/dbraw/zinc/22/48/12/609224812.db2.gz KYSBIDFUWCKPDX-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM CC(C)(C)c1nc(CN2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)no1 ZINC000824141621 609224814 /nfs/dbraw/zinc/22/48/14/609224814.db2.gz KYSBIDFUWCKPDX-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM O=C(NCC[S@](=O)Cc1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439567 609227695 /nfs/dbraw/zinc/22/76/95/609227695.db2.gz ZYXZCLJRCLMVBN-OQRWROFFSA-N -1 3 385.449 0.965 20 0 GCADHM O=C(NCC[S@](=O)Cc1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439567 609227697 /nfs/dbraw/zinc/22/76/97/609227697.db2.gz ZYXZCLJRCLMVBN-OQRWROFFSA-N -1 3 385.449 0.965 20 0 GCADHM O=C(NCC[S@@](=O)Cc1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439568 609227836 /nfs/dbraw/zinc/22/78/36/609227836.db2.gz ZYXZCLJRCLMVBN-RKOGDMNLSA-N -1 3 385.449 0.965 20 0 GCADHM O=C(NCC[S@@](=O)Cc1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439568 609227837 /nfs/dbraw/zinc/22/78/37/609227837.db2.gz ZYXZCLJRCLMVBN-RKOGDMNLSA-N -1 3 385.449 0.965 20 0 GCADHM Cc1noc([C@H](C)N2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826338027 609228390 /nfs/dbraw/zinc/22/83/90/609228390.db2.gz IRSMOUXACZRBNG-NHYWBVRUSA-N -1 3 398.427 0.497 20 0 GCADHM Cc1noc([C@H](C)N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826338027 609228391 /nfs/dbraw/zinc/22/83/91/609228391.db2.gz IRSMOUXACZRBNG-NHYWBVRUSA-N -1 3 398.427 0.497 20 0 GCADHM Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000826265362 609228528 /nfs/dbraw/zinc/22/85/28/609228528.db2.gz WIXAXGQRQARQKR-IAGOWNOFSA-N -1 3 397.439 0.641 20 0 GCADHM Cc1cc(C)n(C[C@H]2CN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000826265362 609228530 /nfs/dbraw/zinc/22/85/30/609228530.db2.gz WIXAXGQRQARQKR-IAGOWNOFSA-N -1 3 397.439 0.641 20 0 GCADHM O=C(NCCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000826437089 609228987 /nfs/dbraw/zinc/22/89/87/609228987.db2.gz VUHNZBYBMVUPBG-INIZCTEOSA-N -1 3 398.398 0.976 20 0 GCADHM O=C(NCCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000826437089 609228988 /nfs/dbraw/zinc/22/89/88/609228988.db2.gz VUHNZBYBMVUPBG-INIZCTEOSA-N -1 3 398.398 0.976 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000826399362 609229143 /nfs/dbraw/zinc/22/91/43/609229143.db2.gz UDUDZORXNPJHJY-JKSUJKDBSA-N -1 3 384.440 0.761 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000826399362 609229144 /nfs/dbraw/zinc/22/91/44/609229144.db2.gz UDUDZORXNPJHJY-JKSUJKDBSA-N -1 3 384.440 0.761 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000825812696 609229701 /nfs/dbraw/zinc/22/97/01/609229701.db2.gz RGFTZZXSMWAROM-VXGBXAGGSA-N -1 3 398.345 0.522 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000825812696 609229703 /nfs/dbraw/zinc/22/97/03/609229703.db2.gz RGFTZZXSMWAROM-VXGBXAGGSA-N -1 3 398.345 0.522 20 0 GCADHM CS(=O)(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)Cc2ccccc21 ZINC000826223503 609229699 /nfs/dbraw/zinc/22/96/99/609229699.db2.gz ORWPKFPPFBPREQ-UHFFFAOYSA-N -1 3 387.425 0.617 20 0 GCADHM CS(=O)(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)Cc2ccccc21 ZINC000826223503 609229702 /nfs/dbraw/zinc/22/97/02/609229702.db2.gz ORWPKFPPFBPREQ-UHFFFAOYSA-N -1 3 387.425 0.617 20 0 GCADHM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824272544 609232265 /nfs/dbraw/zinc/23/22/65/609232265.db2.gz ZZPBMUCMLKLRJZ-UHFFFAOYSA-N -1 3 381.462 0.375 20 0 GCADHM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824272544 609232267 /nfs/dbraw/zinc/23/22/67/609232267.db2.gz ZZPBMUCMLKLRJZ-UHFFFAOYSA-N -1 3 381.462 0.375 20 0 GCADHM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000824270869 609232551 /nfs/dbraw/zinc/23/25/51/609232551.db2.gz IXDSWSVOAZFNBU-UHFFFAOYSA-N -1 3 395.489 0.385 20 0 GCADHM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000824270869 609232552 /nfs/dbraw/zinc/23/25/52/609232552.db2.gz IXDSWSVOAZFNBU-UHFFFAOYSA-N -1 3 395.489 0.385 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000825812714 609233877 /nfs/dbraw/zinc/23/38/77/609233877.db2.gz RPAPREGUMNAWML-NVXWUHKLSA-N -1 3 394.439 0.818 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000825812714 609233878 /nfs/dbraw/zinc/23/38/78/609233878.db2.gz RPAPREGUMNAWML-NVXWUHKLSA-N -1 3 394.439 0.818 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000824746973 609235854 /nfs/dbraw/zinc/23/58/54/609235854.db2.gz XSFOYSDHMVIVFF-STQMWFEESA-N -1 3 389.412 0.672 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000824746973 609235856 /nfs/dbraw/zinc/23/58/56/609235856.db2.gz XSFOYSDHMVIVFF-STQMWFEESA-N -1 3 389.412 0.672 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000826397473 609236145 /nfs/dbraw/zinc/23/61/45/609236145.db2.gz FGPSIZMBYQNUFC-NSHDSACASA-N -1 3 394.317 0.553 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000826397473 609236146 /nfs/dbraw/zinc/23/61/46/609236146.db2.gz FGPSIZMBYQNUFC-NSHDSACASA-N -1 3 394.317 0.553 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NC[C@H]1COC2(CCOCC2)O1 ZINC000826418287 609236611 /nfs/dbraw/zinc/23/66/11/609236611.db2.gz ZAQBVPJHGLJPEI-AWEZNQCLSA-N -1 3 375.385 0.284 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NC[C@H]1COC2(CCOCC2)O1 ZINC000826418287 609236613 /nfs/dbraw/zinc/23/66/13/609236613.db2.gz ZAQBVPJHGLJPEI-AWEZNQCLSA-N -1 3 375.385 0.284 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826090837 609239139 /nfs/dbraw/zinc/23/91/39/609239139.db2.gz QLQFWVZHENQCFI-UHFFFAOYSA-N -1 3 385.471 0.582 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826090837 609239141 /nfs/dbraw/zinc/23/91/41/609239141.db2.gz QLQFWVZHENQCFI-UHFFFAOYSA-N -1 3 385.471 0.582 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826090203 609239179 /nfs/dbraw/zinc/23/91/79/609239179.db2.gz DGCBZIYUORGWLI-AWEZNQCLSA-N -1 3 394.457 0.318 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826090556 609239184 /nfs/dbraw/zinc/23/91/84/609239184.db2.gz IUKLWAAZHURELK-AWEZNQCLSA-N -1 3 397.457 0.753 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826090556 609239185 /nfs/dbraw/zinc/23/91/85/609239185.db2.gz IUKLWAAZHURELK-AWEZNQCLSA-N -1 3 397.457 0.753 20 0 GCADHM CC[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000825203574 609239435 /nfs/dbraw/zinc/23/94/35/609239435.db2.gz NLYYVHZZNUHPMI-KBRIMQKVSA-N -1 3 386.456 0.469 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826090769 609242532 /nfs/dbraw/zinc/24/25/32/609242532.db2.gz OGTGWARJFCPZPB-UHFFFAOYSA-N -1 3 383.430 0.507 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826090769 609242533 /nfs/dbraw/zinc/24/25/33/609242533.db2.gz OGTGWARJFCPZPB-UHFFFAOYSA-N -1 3 383.430 0.507 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824315810 609243918 /nfs/dbraw/zinc/24/39/18/609243918.db2.gz ZNAYJBJZYRXXTD-CVEARBPZSA-N -1 3 393.444 0.161 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824315810 609243919 /nfs/dbraw/zinc/24/39/19/609243919.db2.gz ZNAYJBJZYRXXTD-CVEARBPZSA-N -1 3 393.444 0.161 20 0 GCADHM COc1ccc(OC)c([C@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826211342 609248908 /nfs/dbraw/zinc/24/89/08/609248908.db2.gz YHJSLYJRPMKOED-WBVHZDCISA-N -1 3 399.407 0.767 20 0 GCADHM COc1ccc(OC)c([C@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826211342 609248909 /nfs/dbraw/zinc/24/89/09/609248909.db2.gz YHJSLYJRPMKOED-WBVHZDCISA-N -1 3 399.407 0.767 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc(F)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432668 609249108 /nfs/dbraw/zinc/24/91/08/609249108.db2.gz HOSMZCYVQCTCHT-ZBFHGGJFSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc(F)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432668 609249109 /nfs/dbraw/zinc/24/91/09/609249109.db2.gz HOSMZCYVQCTCHT-ZBFHGGJFSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431081 609250190 /nfs/dbraw/zinc/25/01/90/609250190.db2.gz RMLIGLDBNTZHSA-HZPDHXFCSA-N -1 3 384.440 0.807 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431081 609250192 /nfs/dbraw/zinc/25/01/92/609250192.db2.gz RMLIGLDBNTZHSA-HZPDHXFCSA-N -1 3 384.440 0.807 20 0 GCADHM O=C(C[C@@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000826405125 609250343 /nfs/dbraw/zinc/25/03/43/609250343.db2.gz WLQVRBKUMRDKDU-RHSMWYFYSA-N -1 3 397.391 0.994 20 0 GCADHM O=C(C[C@@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000826405125 609250344 /nfs/dbraw/zinc/25/03/44/609250344.db2.gz WLQVRBKUMRDKDU-RHSMWYFYSA-N -1 3 397.391 0.994 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431082 609250355 /nfs/dbraw/zinc/25/03/55/609250355.db2.gz RMLIGLDBNTZHSA-JKSUJKDBSA-N -1 3 384.440 0.807 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431082 609250356 /nfs/dbraw/zinc/25/03/56/609250356.db2.gz RMLIGLDBNTZHSA-JKSUJKDBSA-N -1 3 384.440 0.807 20 0 GCADHM O=C(NCCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC000826436731 609252204 /nfs/dbraw/zinc/25/22/04/609252204.db2.gz GGQMQYZPSLOZJX-INIZCTEOSA-N -1 3 396.407 0.542 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cnc2c(c1)COCC2 ZINC000826441760 609252334 /nfs/dbraw/zinc/25/23/34/609252334.db2.gz TWCLBGAPPDAKDN-UHFFFAOYSA-N -1 3 397.370 0.728 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cnc2c(c1)COCC2 ZINC000826441760 609252335 /nfs/dbraw/zinc/25/23/35/609252335.db2.gz TWCLBGAPPDAKDN-UHFFFAOYSA-N -1 3 397.370 0.728 20 0 GCADHM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826358097 609252494 /nfs/dbraw/zinc/25/24/94/609252494.db2.gz DQIXZYSWFVEEPJ-NVXWUHKLSA-N -1 3 395.423 0.898 20 0 GCADHM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826358097 609252495 /nfs/dbraw/zinc/25/24/95/609252495.db2.gz DQIXZYSWFVEEPJ-NVXWUHKLSA-N -1 3 395.423 0.898 20 0 GCADHM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826358096 609252501 /nfs/dbraw/zinc/25/25/01/609252501.db2.gz DQIXZYSWFVEEPJ-DOTOQJQBSA-N -1 3 395.423 0.898 20 0 GCADHM Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826358096 609252502 /nfs/dbraw/zinc/25/25/02/609252502.db2.gz DQIXZYSWFVEEPJ-DOTOQJQBSA-N -1 3 395.423 0.898 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000824966597 609257120 /nfs/dbraw/zinc/25/71/20/609257120.db2.gz CCINYNPUSAMNTB-ZWNOBZJWSA-N -1 3 384.362 0.995 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000824966597 609257122 /nfs/dbraw/zinc/25/71/22/609257122.db2.gz CCINYNPUSAMNTB-ZWNOBZJWSA-N -1 3 384.362 0.995 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826481106 609259038 /nfs/dbraw/zinc/25/90/38/609259038.db2.gz HUVDEEKIWORTHI-KRWDZBQOSA-N -1 3 378.392 0.729 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826481106 609259039 /nfs/dbraw/zinc/25/90/39/609259039.db2.gz HUVDEEKIWORTHI-KRWDZBQOSA-N -1 3 378.392 0.729 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826481107 609259041 /nfs/dbraw/zinc/25/90/41/609259041.db2.gz HUVDEEKIWORTHI-QGZVFWFLSA-N -1 3 378.392 0.729 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826481107 609259042 /nfs/dbraw/zinc/25/90/42/609259042.db2.gz HUVDEEKIWORTHI-QGZVFWFLSA-N -1 3 378.392 0.729 20 0 GCADHM COC1(C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826143894 609261335 /nfs/dbraw/zinc/26/13/35/609261335.db2.gz VDPMAXSTRGXSEW-CYBMUJFWSA-N -1 3 399.411 0.319 20 0 GCADHM COC1(C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826143894 609261336 /nfs/dbraw/zinc/26/13/36/609261336.db2.gz VDPMAXSTRGXSEW-CYBMUJFWSA-N -1 3 399.411 0.319 20 0 GCADHM COC[C@@](C)(CCO)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826148904 609262712 /nfs/dbraw/zinc/26/27/12/609262712.db2.gz TZTPOFIZMLMAEA-GOSISDBHSA-N -1 3 385.428 0.878 20 0 GCADHM COC[C@@](C)(CCO)NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826148904 609262714 /nfs/dbraw/zinc/26/27/14/609262714.db2.gz TZTPOFIZMLMAEA-GOSISDBHSA-N -1 3 385.428 0.878 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000826413896 609264586 /nfs/dbraw/zinc/26/45/86/609264586.db2.gz WADGGGDEXAYCNS-SFHVURJKSA-N -1 3 383.387 0.933 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000826413896 609264588 /nfs/dbraw/zinc/26/45/88/609264588.db2.gz WADGGGDEXAYCNS-SFHVURJKSA-N -1 3 383.387 0.933 20 0 GCADHM C=CC(=O)NCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823883203 609265050 /nfs/dbraw/zinc/26/50/50/609265050.db2.gz KPYCDOGAFSHNGX-CQSZACIVSA-N -1 3 383.412 0.171 20 0 GCADHM C=CC(=O)NCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823883203 609265052 /nfs/dbraw/zinc/26/50/52/609265052.db2.gz KPYCDOGAFSHNGX-CQSZACIVSA-N -1 3 383.412 0.171 20 0 GCADHM NC(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC1 ZINC000826388625 609265638 /nfs/dbraw/zinc/26/56/38/609265638.db2.gz FKJIEGTYNKZNFJ-ZDUSSCGKSA-N -1 3 383.412 0.134 20 0 GCADHM NC(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC1 ZINC000826388625 609265640 /nfs/dbraw/zinc/26/56/40/609265640.db2.gz FKJIEGTYNKZNFJ-ZDUSSCGKSA-N -1 3 383.412 0.134 20 0 GCADHM O=C(C=Cc1ccncn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826403228 609266095 /nfs/dbraw/zinc/26/60/95/609266095.db2.gz MXIUIPXFXXLHDM-SBSDFTTDSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(C=Cc1ccncn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826403228 609266096 /nfs/dbraw/zinc/26/60/96/609266096.db2.gz MXIUIPXFXXLHDM-SBSDFTTDSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cnn(-c2ccccc2)n1 ZINC000826411990 609268411 /nfs/dbraw/zinc/26/84/11/609268411.db2.gz WVWJQRKNLOALLI-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cnn(-c2ccccc2)n1 ZINC000826411990 609268412 /nfs/dbraw/zinc/26/84/12/609268412.db2.gz WVWJQRKNLOALLI-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM O=C1N[C@H](Cc2ccccc2)C(=O)N1CCNc1ncccc1-c1nnn[n-]1 ZINC000826482153 609271471 /nfs/dbraw/zinc/27/14/71/609271471.db2.gz UBVFSUCRCYCLCR-CQSZACIVSA-N -1 3 378.396 0.837 20 0 GCADHM O=C1N[C@H](Cc2ccccc2)C(=O)N1CCNc1ncccc1-c1nn[n-]n1 ZINC000826482153 609271472 /nfs/dbraw/zinc/27/14/72/609271472.db2.gz UBVFSUCRCYCLCR-CQSZACIVSA-N -1 3 378.396 0.837 20 0 GCADHM O=C1N[C@@H](CC(F)F)C(=O)N1C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826482076 609275720 /nfs/dbraw/zinc/27/57/20/609275720.db2.gz RANHFJCXWBBILL-NSHDSACASA-N -1 3 392.370 0.806 20 0 GCADHM O=C1N[C@@H](CC(F)F)C(=O)N1C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826482076 609275723 /nfs/dbraw/zinc/27/57/23/609275723.db2.gz RANHFJCXWBBILL-NSHDSACASA-N -1 3 392.370 0.806 20 0 GCADHM O=C1N[C@H](CC(F)F)C(=O)N1C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826482075 609275732 /nfs/dbraw/zinc/27/57/32/609275732.db2.gz RANHFJCXWBBILL-LLVKDONJSA-N -1 3 392.370 0.806 20 0 GCADHM O=C1N[C@H](CC(F)F)C(=O)N1C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826482075 609275733 /nfs/dbraw/zinc/27/57/33/609275733.db2.gz RANHFJCXWBBILL-LLVKDONJSA-N -1 3 392.370 0.806 20 0 GCADHM COCCN(Cc1ccnn1C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826159351 609280337 /nfs/dbraw/zinc/28/03/37/609280337.db2.gz BZYMYKFAYMRGOC-UHFFFAOYSA-N -1 3 377.430 0.438 20 0 GCADHM COCCN(Cc1ccnn1C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826159351 609280338 /nfs/dbraw/zinc/28/03/38/609280338.db2.gz BZYMYKFAYMRGOC-UHFFFAOYSA-N -1 3 377.430 0.438 20 0 GCADHM O=C(Cn1cnc2c1CCCC2)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826425808 609287206 /nfs/dbraw/zinc/28/72/06/609287206.db2.gz UXKCQDHTLAAFOH-UHFFFAOYSA-N -1 3 393.455 0.686 20 0 GCADHM O=C(Cn1cnc2c1CCCC2)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826425808 609287208 /nfs/dbraw/zinc/28/72/08/609287208.db2.gz UXKCQDHTLAAFOH-UHFFFAOYSA-N -1 3 393.455 0.686 20 0 GCADHM O=C(c1ccc2cccnn21)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826474032 609287910 /nfs/dbraw/zinc/28/79/10/609287910.db2.gz XYCTUMIEVMXITL-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(c1ccc2cccnn21)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826474032 609287911 /nfs/dbraw/zinc/28/79/11/609287911.db2.gz XYCTUMIEVMXITL-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM COC(=O)[C@H](CO)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826104141 609295138 /nfs/dbraw/zinc/29/51/38/609295138.db2.gz QKTYYJJLIKEHRM-LBPRGKRZSA-N -1 3 387.352 0.302 20 0 GCADHM COC(=O)[C@H](CO)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826104141 609295139 /nfs/dbraw/zinc/29/51/39/609295139.db2.gz QKTYYJJLIKEHRM-LBPRGKRZSA-N -1 3 387.352 0.302 20 0 GCADHM CC(=O)N1CCN(CCNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000823980570 609295898 /nfs/dbraw/zinc/29/58/98/609295898.db2.gz FMERSQFZZSAUKY-UHFFFAOYSA-N -1 3 377.836 0.414 20 0 GCADHM CC(=O)N1CCN(CCNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000823980570 609295900 /nfs/dbraw/zinc/29/59/00/609295900.db2.gz FMERSQFZZSAUKY-UHFFFAOYSA-N -1 3 377.836 0.414 20 0 GCADHM Cc1nc(N)nc(C)c1C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826327037 609297159 /nfs/dbraw/zinc/29/71/59/609297159.db2.gz PNPXKLIGBFBAJB-UHFFFAOYSA-N -1 3 397.418 0.957 20 0 GCADHM Cc1nc(N)nc(C)c1C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826327037 609297161 /nfs/dbraw/zinc/29/71/61/609297161.db2.gz PNPXKLIGBFBAJB-UHFFFAOYSA-N -1 3 397.418 0.957 20 0 GCADHM Cc1nccn1CCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826331237 609301635 /nfs/dbraw/zinc/30/16/35/609301635.db2.gz ZVBRKIJZABUKMB-UHFFFAOYSA-N -1 3 387.452 0.341 20 0 GCADHM Cc1nccn1CCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826331237 609301637 /nfs/dbraw/zinc/30/16/37/609301637.db2.gz ZVBRKIJZABUKMB-UHFFFAOYSA-N -1 3 387.452 0.341 20 0 GCADHM Cn1cc([C@@H]2NC(=O)[C@H]3CSCCN23)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359357 609303210 /nfs/dbraw/zinc/30/32/10/609303210.db2.gz DSMDZZPEKZVXNF-CZUORRHYSA-N -1 3 382.453 0.813 20 0 GCADHM Cn1cc([C@@H]2NC(=O)[C@H]3CSCCN23)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359357 609303212 /nfs/dbraw/zinc/30/32/12/609303212.db2.gz DSMDZZPEKZVXNF-CZUORRHYSA-N -1 3 382.453 0.813 20 0 GCADHM Cc1nnc(SCC(=O)NC(=O)NCC(F)(F)F)c(-c2nnn[n-]2)c1C ZINC000826336823 609306946 /nfs/dbraw/zinc/30/69/46/609306946.db2.gz PDVUMJQWQCSVRI-UHFFFAOYSA-N -1 3 390.351 0.754 20 0 GCADHM Cc1nnc(SCC(=O)NC(=O)NCC(F)(F)F)c(-c2nn[n-]n2)c1C ZINC000826336823 609306947 /nfs/dbraw/zinc/30/69/47/609306947.db2.gz PDVUMJQWQCSVRI-UHFFFAOYSA-N -1 3 390.351 0.754 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000825930186 609309826 /nfs/dbraw/zinc/30/98/26/609309826.db2.gz RKJUKXNZQOKIAE-NSHDSACASA-N -1 3 385.436 0.547 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@]1(O)CCSC1 ZINC000826458381 609312439 /nfs/dbraw/zinc/31/24/39/609312439.db2.gz NMUKUWXOQFPDQV-HNNXBMFYSA-N -1 3 375.389 0.998 20 0 GCADHM CN1CCN(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1 ZINC000826038534 609312605 /nfs/dbraw/zinc/31/26/05/609312605.db2.gz QJTKVPPLFFZYDT-UHFFFAOYSA-N -1 3 385.407 0.377 20 0 GCADHM CN1CCN(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)CC1 ZINC000826038534 609312608 /nfs/dbraw/zinc/31/26/08/609312608.db2.gz QJTKVPPLFFZYDT-UHFFFAOYSA-N -1 3 385.407 0.377 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826392880 609313692 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609329078 /nfs/dbraw/zinc/32/90/78/609329078.db2.gz JZOOPGUECLOELY-DGCLKSJQSA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826129126 609329080 /nfs/dbraw/zinc/32/90/80/609329080.db2.gz JZOOPGUECLOELY-DGCLKSJQSA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826129182 609346477 /nfs/dbraw/zinc/34/64/77/609346477.db2.gz LRSIPLVZYMJGHK-BXKDBHETSA-N -1 3 381.339 0.938 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826129182 609346479 /nfs/dbraw/zinc/34/64/79/609346479.db2.gz LRSIPLVZYMJGHK-BXKDBHETSA-N -1 3 381.339 0.938 20 0 GCADHM CC(C)NC(=O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824300093 609355256 /nfs/dbraw/zinc/35/52/56/609355256.db2.gz CFNMFSMASNPQIF-UHFFFAOYSA-N -1 3 387.379 0.838 20 0 GCADHM CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000825907832 609356269 /nfs/dbraw/zinc/35/62/69/609356269.db2.gz 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GCADHM CCc1cc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc(=O)[nH]1 ZINC000825694510 609366994 /nfs/dbraw/zinc/36/69/94/609366994.db2.gz RHSWQICHQXXWQH-UHFFFAOYSA-N -1 3 380.412 0.887 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826129525 609368676 /nfs/dbraw/zinc/36/86/76/609368676.db2.gz UICKJRUJLQAFDV-IUODEOHRSA-N -1 3 388.428 0.848 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826129525 609368678 /nfs/dbraw/zinc/36/86/78/609368678.db2.gz UICKJRUJLQAFDV-IUODEOHRSA-N -1 3 388.428 0.848 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826129213 609368918 /nfs/dbraw/zinc/36/89/18/609368918.db2.gz MESKTEUEYOUIQN-HUUCEWRRSA-N -1 3 388.428 0.135 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826129213 609368921 /nfs/dbraw/zinc/36/89/21/609368921.db2.gz MESKTEUEYOUIQN-HUUCEWRRSA-N -1 3 388.428 0.135 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826129212 609369221 /nfs/dbraw/zinc/36/92/21/609369221.db2.gz MESKTEUEYOUIQN-GJZGRUSLSA-N -1 3 388.428 0.135 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826129212 609369226 /nfs/dbraw/zinc/36/92/26/609369226.db2.gz MESKTEUEYOUIQN-GJZGRUSLSA-N -1 3 388.428 0.135 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826129236 609372766 /nfs/dbraw/zinc/37/27/66/609372766.db2.gz MPKYEGPKFFEMGV-ONGXEEELSA-N -1 3 380.430 0.519 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826129236 609372768 /nfs/dbraw/zinc/37/27/68/609372768.db2.gz MPKYEGPKFFEMGV-ONGXEEELSA-N -1 3 380.430 0.519 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(C(N)=O)n1 ZINC000826158448 609380594 /nfs/dbraw/zinc/38/05/94/609380594.db2.gz PIGVDBSXSFFQIE-UHFFFAOYSA-N -1 3 381.396 0.649 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(C(N)=O)n1 ZINC000826158448 609380597 /nfs/dbraw/zinc/38/05/97/609380597.db2.gz PIGVDBSXSFFQIE-UHFFFAOYSA-N -1 3 381.396 0.649 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826233687 609383677 /nfs/dbraw/zinc/38/36/77/609383677.db2.gz RRJSATRUIPAIHP-UHFFFAOYSA-N -1 3 383.416 0.162 20 0 GCADHM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000823989211 609384890 /nfs/dbraw/zinc/38/48/90/609384890.db2.gz PXMMGSFSXHSWAL-OAHLLOKOSA-N -1 3 396.411 0.162 20 0 GCADHM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000823989211 609384892 /nfs/dbraw/zinc/38/48/92/609384892.db2.gz PXMMGSFSXHSWAL-OAHLLOKOSA-N -1 3 396.411 0.162 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826401744 609388910 /nfs/dbraw/zinc/38/89/10/609388910.db2.gz FYSIQGYDXHFWKU-OSJSJHBBSA-N -1 3 398.467 0.830 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826401744 609388912 /nfs/dbraw/zinc/38/89/12/609388912.db2.gz FYSIQGYDXHFWKU-OSJSJHBBSA-N -1 3 398.467 0.830 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000824206201 609392351 /nfs/dbraw/zinc/39/23/51/609392351.db2.gz BBKWQCZKQPNNRN-GOEBONIOSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CO)c1cnn(C)c1 ZINC000824206201 609392354 /nfs/dbraw/zinc/39/23/54/609392354.db2.gz BBKWQCZKQPNNRN-GOEBONIOSA-N -1 3 385.428 0.853 20 0 GCADHM CC[C@](C)(CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825043984 609396158 /nfs/dbraw/zinc/39/61/58/609396158.db2.gz LMFWJMCLPNNLHF-BDJLRTHQSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@](C)(CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825043984 609396160 /nfs/dbraw/zinc/39/61/60/609396160.db2.gz LMFWJMCLPNNLHF-BDJLRTHQSA-N -1 3 396.473 0.201 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)Cc1ccccc1 ZINC000826411693 609404894 /nfs/dbraw/zinc/40/48/94/609404894.db2.gz JIBHOPZXKGLGFZ-INIZCTEOSA-N -1 3 380.408 0.316 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)Cc1ccccc1 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3 389.416 0.069 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC000825498774 609453700 /nfs/dbraw/zinc/45/37/00/609453700.db2.gz CAVTUXIODFLBFI-NSHDSACASA-N -1 3 389.416 0.069 20 0 GCADHM CCN(CC)C(=O)CN1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000825406949 609456708 /nfs/dbraw/zinc/45/67/08/609456708.db2.gz VYAZDWSQXPCFPL-UHFFFAOYSA-N -1 3 383.460 0.505 20 0 GCADHM CCN(CC)C(=O)CN1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000825406949 609456710 /nfs/dbraw/zinc/45/67/10/609456710.db2.gz VYAZDWSQXPCFPL-UHFFFAOYSA-N -1 3 383.460 0.505 20 0 GCADHM O=C(C1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC000826399371 609457956 /nfs/dbraw/zinc/45/79/56/609457956.db2.gz UGYRFJUXCKFPTQ-UHFFFAOYSA-N -1 3 382.428 0.590 20 0 GCADHM O=C(C1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC000826399371 609457958 /nfs/dbraw/zinc/45/79/58/609457958.db2.gz UGYRFJUXCKFPTQ-UHFFFAOYSA-N -1 3 382.428 0.590 20 0 GCADHM CN(Cc1ncc(Cl)n1C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825992318 609458551 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398.423 0.918 20 0 GCADHM CCC[C@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)CCN1CCOC ZINC000825251881 609467819 /nfs/dbraw/zinc/46/78/19/609467819.db2.gz FPSJBXGUDGYUHC-ZDUSSCGKSA-N -1 3 377.449 0.665 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824678021 609467996 /nfs/dbraw/zinc/46/79/96/609467996.db2.gz KANGNCWHENRZQN-YVEFUNNKSA-N -1 3 396.451 0.758 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824678021 609467998 /nfs/dbraw/zinc/46/79/98/609467998.db2.gz KANGNCWHENRZQN-YVEFUNNKSA-N -1 3 396.451 0.758 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)[C@H](C)Oc3ccccc3-c3nnn[n-]3)C2)nn1 ZINC000824744619 609471421 /nfs/dbraw/zinc/47/14/21/609471421.db2.gz CITVTQBJUZTXJW-MNOVXSKESA-N -1 3 384.400 0.362 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC000824744619 609471423 /nfs/dbraw/zinc/47/14/23/609471423.db2.gz CITVTQBJUZTXJW-MNOVXSKESA-N -1 3 384.400 0.362 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC(n2cc([C@H](C)O)nn2)C1 ZINC000824744621 609471798 /nfs/dbraw/zinc/47/17/98/609471798.db2.gz CITVTQBJUZTXJW-WDEREUQCSA-N -1 3 384.400 0.362 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC(n2cc([C@H](C)O)nn2)C1 ZINC000824744621 609471799 /nfs/dbraw/zinc/47/17/99/609471799.db2.gz CITVTQBJUZTXJW-WDEREUQCSA-N -1 3 384.400 0.362 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCCN1CCCS1(=O)=O ZINC000826162361 609486019 /nfs/dbraw/zinc/48/60/19/609486019.db2.gz YIWHLCNDMKTVKA-UHFFFAOYSA-N -1 3 382.446 0.339 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCN1CCCS1(=O)=O ZINC000826162361 609486021 /nfs/dbraw/zinc/48/60/21/609486021.db2.gz YIWHLCNDMKTVKA-UHFFFAOYSA-N -1 3 382.446 0.339 20 0 GCADHM O=C(CN1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1)Nc1nncs1 ZINC000826411433 609489191 /nfs/dbraw/zinc/48/91/91/609489191.db2.gz XWJXUTBTDHTCCK-UHFFFAOYSA-N -1 3 389.420 0.618 20 0 GCADHM O=C(CN1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1)Nc1nncs1 ZINC000826411433 609489193 /nfs/dbraw/zinc/48/91/93/609489193.db2.gz XWJXUTBTDHTCCK-UHFFFAOYSA-N -1 3 389.420 0.618 20 0 GCADHM CCOC(=O)c1ccc(N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc1 ZINC000825559091 609491777 /nfs/dbraw/zinc/49/17/77/609491777.db2.gz BUYPOTSBAJNNFG-UHFFFAOYSA-N -1 3 382.384 0.385 20 0 GCADHM CCOC(=O)c1ccc(N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc1 ZINC000825559091 609491778 /nfs/dbraw/zinc/49/17/78/609491778.db2.gz BUYPOTSBAJNNFG-UHFFFAOYSA-N -1 3 382.384 0.385 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000825476466 609493131 /nfs/dbraw/zinc/49/31/31/609493131.db2.gz LBNZQTLOCLBVIW-ZDUSSCGKSA-N -1 3 376.446 0.028 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000825476466 609493132 /nfs/dbraw/zinc/49/31/32/609493132.db2.gz LBNZQTLOCLBVIW-ZDUSSCGKSA-N -1 3 376.446 0.028 20 0 GCADHM CC(C)Oc1ccc(NC(=O)NC[C@H](C)S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000824328901 609494239 /nfs/dbraw/zinc/49/42/39/609494239.db2.gz DHGZLNYCAZMDMU-VIFPVBQESA-N -1 3 383.434 0.452 20 0 GCADHM CC(C)Oc1ccc(NC(=O)NC[C@H](C)S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000824328901 609494241 /nfs/dbraw/zinc/49/42/41/609494241.db2.gz DHGZLNYCAZMDMU-VIFPVBQESA-N -1 3 383.434 0.452 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000826337310 609498291 /nfs/dbraw/zinc/49/82/91/609498291.db2.gz JYKOUFWZDKWKCR-VIFPVBQESA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000826337310 609498293 /nfs/dbraw/zinc/49/82/93/609498293.db2.gz JYKOUFWZDKWKCR-VIFPVBQESA-N -1 3 394.848 0.713 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC000824364529 609498819 /nfs/dbraw/zinc/49/88/19/609498819.db2.gz KJRPXSDKWMBIOH-NSHDSACASA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC000824364529 609498821 /nfs/dbraw/zinc/49/88/21/609498821.db2.gz KJRPXSDKWMBIOH-NSHDSACASA-N -1 3 388.457 0.875 20 0 GCADHM COCc1nc([C@H]2COCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826164998 609503074 /nfs/dbraw/zinc/50/30/74/609503074.db2.gz ATDBUMNVGPHQTA-CQSZACIVSA-N -1 3 399.411 0.929 20 0 GCADHM COCc1nc([C@H]2COCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826164998 609503076 /nfs/dbraw/zinc/50/30/76/609503076.db2.gz ATDBUMNVGPHQTA-CQSZACIVSA-N -1 3 399.411 0.929 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CCO2)no1 ZINC000826325398 609503526 /nfs/dbraw/zinc/50/35/26/609503526.db2.gz WIYRFXHRNUPZBW-QMTHXVAHSA-N -1 3 385.384 0.926 20 0 GCADHM CCOC(=O)N1CCC(NS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825517370 609511682 /nfs/dbraw/zinc/51/16/82/609511682.db2.gz AQTQMRGCNPOSNL-UHFFFAOYSA-N -1 3 394.457 0.907 20 0 GCADHM CCOC(=O)N1CCC(NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825517370 609511683 /nfs/dbraw/zinc/51/16/83/609511683.db2.gz AQTQMRGCNPOSNL-UHFFFAOYSA-N -1 3 394.457 0.907 20 0 GCADHM Cc1cc(C(=O)NCCNC(=O)C2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259672 609512610 /nfs/dbraw/zinc/51/26/10/609512610.db2.gz ZKXRJSSMVOBTJL-UHFFFAOYSA-N -1 3 380.412 0.617 20 0 GCADHM Cc1cc(C(=O)NCCNC(=O)C2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259672 609512612 /nfs/dbraw/zinc/51/26/12/609512612.db2.gz ZKXRJSSMVOBTJL-UHFFFAOYSA-N -1 3 380.412 0.617 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)Oc1cccc(-n2cnnn2)c1 ZINC000826486859 609513450 /nfs/dbraw/zinc/51/34/50/609513450.db2.gz UYBPQDYUWKXEHG-UHFFFAOYSA-N -1 3 384.381 0.751 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)Oc1cccc(-n2cnnn2)c1 ZINC000826486859 609513451 /nfs/dbraw/zinc/51/34/51/609513451.db2.gz UYBPQDYUWKXEHG-UHFFFAOYSA-N -1 3 384.381 0.751 20 0 GCADHM Cc1c(Cl)cnc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1-c1nnn[n-]1 ZINC000826238061 609522357 /nfs/dbraw/zinc/52/23/57/609522357.db2.gz VIAMOQODQUKFIE-LLVKDONJSA-N -1 3 397.892 0.533 20 0 GCADHM Cc1c(Cl)cnc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1-c1nn[n-]n1 ZINC000826238061 609522358 /nfs/dbraw/zinc/52/23/58/609522358.db2.gz VIAMOQODQUKFIE-LLVKDONJSA-N -1 3 397.892 0.533 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H](C(N)=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257897 609534686 /nfs/dbraw/zinc/53/46/86/609534686.db2.gz RZPRXMVMJFKKDF-CYBMUJFWSA-N -1 3 380.412 0.698 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H](C(N)=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257897 609534687 /nfs/dbraw/zinc/53/46/87/609534687.db2.gz RZPRXMVMJFKKDF-CYBMUJFWSA-N -1 3 380.412 0.698 20 0 GCADHM COCCN(CCOC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826158300 609534737 /nfs/dbraw/zinc/53/47/37/609534737.db2.gz JKWQLIBWRBXUTP-UHFFFAOYSA-N -1 3 375.838 0.804 20 0 GCADHM COCCN(CCOC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826158300 609534739 /nfs/dbraw/zinc/53/47/39/609534739.db2.gz JKWQLIBWRBXUTP-UHFFFAOYSA-N -1 3 375.838 0.804 20 0 GCADHM CC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000823981265 609535811 /nfs/dbraw/zinc/53/58/11/609535811.db2.gz KWDOFJCOBORSIX-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM CC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000823981265 609535813 /nfs/dbraw/zinc/53/58/13/609535813.db2.gz KWDOFJCOBORSIX-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826398319 609535990 /nfs/dbraw/zinc/53/59/90/609535990.db2.gz UTBQYJMMLCUCPR-UHFFFAOYSA-N -1 3 396.860 0.763 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826398319 609535991 /nfs/dbraw/zinc/53/59/91/609535991.db2.gz UTBQYJMMLCUCPR-UHFFFAOYSA-N -1 3 396.860 0.763 20 0 GCADHM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825888070 609536299 /nfs/dbraw/zinc/53/62/99/609536299.db2.gz NFYSWPQJCZIJNY-SECBINFHSA-N -1 3 391.862 0.328 20 0 GCADHM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825888070 609536301 /nfs/dbraw/zinc/53/63/01/609536301.db2.gz NFYSWPQJCZIJNY-SECBINFHSA-N -1 3 391.862 0.328 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)N1CCOCC1 ZINC000824427411 609537754 /nfs/dbraw/zinc/53/77/54/609537754.db2.gz MTUPVRDEOIEIAN-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)N1CCOCC1 ZINC000824427411 609537755 /nfs/dbraw/zinc/53/77/55/609537755.db2.gz MTUPVRDEOIEIAN-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM O=S(=O)(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cn2c(n1)CCCC2 ZINC000826491329 609539215 /nfs/dbraw/zinc/53/92/15/609539215.db2.gz DHAAJRCVOAOGPY-UHFFFAOYSA-N -1 3 389.445 0.185 20 0 GCADHM CC(C)(C)C(=O)NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824071805 609542465 /nfs/dbraw/zinc/54/24/65/609542465.db2.gz NSSJQANCMUJNQH-UHFFFAOYSA-N -1 3 386.865 0.961 20 0 GCADHM CC(C)(C)C(=O)NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824071805 609542467 /nfs/dbraw/zinc/54/24/67/609542467.db2.gz NSSJQANCMUJNQH-UHFFFAOYSA-N -1 3 386.865 0.961 20 0 GCADHM CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825663823 609544732 /nfs/dbraw/zinc/54/47/32/609544732.db2.gz XHJRXGYEWCGMFG-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825663823 609544734 /nfs/dbraw/zinc/54/47/34/609544734.db2.gz XHJRXGYEWCGMFG-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM CC(C)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC000824296016 609546207 /nfs/dbraw/zinc/54/62/07/609546207.db2.gz CVMNKEFPVSRYPR-NSHDSACASA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000824296016 609546209 /nfs/dbraw/zinc/54/62/09/609546209.db2.gz CVMNKEFPVSRYPR-NSHDSACASA-N -1 3 384.849 0.808 20 0 GCADHM Cc1ccnc(N2CCN(c3nc(C)nc4c3cnn4C)CC2)c1-c1nnn[n-]1 ZINC000826327082 609549423 /nfs/dbraw/zinc/54/94/23/609549423.db2.gz RIXKHMZWQQSXHD-UHFFFAOYSA-N -1 3 391.443 0.882 20 0 GCADHM Cc1ccnc(N2CCN(c3nc(C)nc4c3cnn4C)CC2)c1-c1nn[n-]n1 ZINC000826327082 609549424 /nfs/dbraw/zinc/54/94/24/609549424.db2.gz RIXKHMZWQQSXHD-UHFFFAOYSA-N -1 3 391.443 0.882 20 0 GCADHM CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826226945 609550844 /nfs/dbraw/zinc/55/08/44/609550844.db2.gz IZFNBEMFTICQHB-LBPRGKRZSA-N -1 3 377.879 0.912 20 0 GCADHM CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826226945 609550846 /nfs/dbraw/zinc/55/08/46/609550846.db2.gz IZFNBEMFTICQHB-LBPRGKRZSA-N -1 3 377.879 0.912 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1=O ZINC000824898521 609551242 /nfs/dbraw/zinc/55/12/42/609551242.db2.gz FNAAXBPLUATNLO-HLUHBDAQSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1=O ZINC000824898521 609551245 /nfs/dbraw/zinc/55/12/45/609551245.db2.gz FNAAXBPLUATNLO-HLUHBDAQSA-N -1 3 396.860 0.808 20 0 GCADHM CCc1nncn1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825772078 609552080 /nfs/dbraw/zinc/55/20/80/609552080.db2.gz YUUKOPHMYPKOOT-UHFFFAOYSA-N -1 3 382.837 0.653 20 0 GCADHM CCc1nncn1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825772078 609552082 /nfs/dbraw/zinc/55/20/82/609552082.db2.gz YUUKOPHMYPKOOT-UHFFFAOYSA-N -1 3 382.837 0.653 20 0 GCADHM COCCOC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826161240 609552497 /nfs/dbraw/zinc/55/24/97/609552497.db2.gz YNRJHCGZIOWTEL-SECBINFHSA-N -1 3 375.838 0.850 20 0 GCADHM COCCOC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826161240 609552500 /nfs/dbraw/zinc/55/25/00/609552500.db2.gz YNRJHCGZIOWTEL-SECBINFHSA-N -1 3 375.838 0.850 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C(C)(C)C1=O ZINC000826038051 609556059 /nfs/dbraw/zinc/55/60/59/609556059.db2.gz HNGNIGBWGSADQV-UHFFFAOYSA-N -1 3 384.849 0.761 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C(C)(C)C1=O ZINC000826038051 609556061 /nfs/dbraw/zinc/55/60/61/609556061.db2.gz HNGNIGBWGSADQV-UHFFFAOYSA-N -1 3 384.849 0.761 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)[S@](C)=O ZINC000824402106 609557188 /nfs/dbraw/zinc/55/71/88/609557188.db2.gz UETJEETYPVELLJ-ZCAPAMDOSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)[S@](C)=O ZINC000824402106 609557191 /nfs/dbraw/zinc/55/71/91/609557191.db2.gz UETJEETYPVELLJ-ZCAPAMDOSA-N -1 3 377.879 0.956 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825659192 609563118 /nfs/dbraw/zinc/56/31/18/609563118.db2.gz PTMXQHAYUUALEF-QMMMGPOBSA-N -1 3 393.878 0.622 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825659192 609563119 /nfs/dbraw/zinc/56/31/19/609563119.db2.gz PTMXQHAYUUALEF-QMMMGPOBSA-N -1 3 393.878 0.622 20 0 GCADHM O=S(=O)(NC[C@@]1(CCO)CCOC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826490400 609563529 /nfs/dbraw/zinc/56/35/29/609563529.db2.gz UMVLPKZVFDQHGG-CQSZACIVSA-N -1 3 387.849 0.588 20 0 GCADHM O=S(=O)(NC[C@@]1(CCO)CCOC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826490400 609563531 /nfs/dbraw/zinc/56/35/31/609563531.db2.gz UMVLPKZVFDQHGG-CQSZACIVSA-N -1 3 387.849 0.588 20 0 GCADHM Cc1cc(C(=O)NCc2nnnn2C2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259859 609570388 /nfs/dbraw/zinc/57/03/88/609570388.db2.gz JYNGXFJKSOFZCR-UHFFFAOYSA-N -1 3 391.399 0.612 20 0 GCADHM Cc1cc(C(=O)NCc2nnnn2C2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259859 609570390 /nfs/dbraw/zinc/57/03/90/609570390.db2.gz JYNGXFJKSOFZCR-UHFFFAOYSA-N -1 3 391.399 0.612 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(C)C2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259030 609571061 /nfs/dbraw/zinc/57/10/61/609571061.db2.gz FIEZHGJJORKOJG-CQSZACIVSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(C)C2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259030 609571063 /nfs/dbraw/zinc/57/10/63/609571063.db2.gz FIEZHGJJORKOJG-CQSZACIVSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826279128 609571490 /nfs/dbraw/zinc/57/14/90/609571490.db2.gz GLRCCIRAALGABO-HUUCEWRRSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826279128 609571492 /nfs/dbraw/zinc/57/14/92/609571492.db2.gz GLRCCIRAALGABO-HUUCEWRRSA-N -1 3 392.485 0.395 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826495655 609572474 /nfs/dbraw/zinc/57/24/74/609572474.db2.gz VWXGEOPSDRCPOG-LSDHHAIUSA-N -1 3 378.458 0.086 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826495655 609572476 /nfs/dbraw/zinc/57/24/76/609572476.db2.gz VWXGEOPSDRCPOG-LSDHHAIUSA-N -1 3 378.458 0.086 20 0 GCADHM CN(C)c1ncc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000825883927 609573757 /nfs/dbraw/zinc/57/37/57/609573757.db2.gz QEWXGDFFUSKQEH-UHFFFAOYSA-N -1 3 392.420 0.683 20 0 GCADHM CN(C)c1ncc(CN(C)S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825883056 609574062 /nfs/dbraw/zinc/57/40/62/609574062.db2.gz BIQTVUJRKMAVBD-UHFFFAOYSA-N -1 3 388.457 0.685 20 0 GCADHM CN(C)c1ncc(CN(C)S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825883056 609574064 /nfs/dbraw/zinc/57/40/64/609574064.db2.gz BIQTVUJRKMAVBD-UHFFFAOYSA-N -1 3 388.457 0.685 20 0 GCADHM CCCCCN(CC(N)=O)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825271476 609578321 /nfs/dbraw/zinc/57/83/21/609578321.db2.gz KFCXIWXNLFMINV-UHFFFAOYSA-N -1 3 388.400 0.811 20 0 GCADHM CCCCCN(CC(N)=O)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825271476 609578323 /nfs/dbraw/zinc/57/83/23/609578323.db2.gz KFCXIWXNLFMINV-UHFFFAOYSA-N -1 3 388.400 0.811 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258843 609579049 /nfs/dbraw/zinc/57/90/49/609579049.db2.gz YZZRNQLPNKMVTN-CXAGYDPISA-N -1 3 396.455 0.810 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258843 609579050 /nfs/dbraw/zinc/57/90/50/609579050.db2.gz YZZRNQLPNKMVTN-CXAGYDPISA-N -1 3 396.455 0.810 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CN1C1CC1 ZINC000826479148 609583760 /nfs/dbraw/zinc/58/37/60/609583760.db2.gz RLTMWUKDZYVIPD-VIFPVBQESA-N -1 3 396.860 0.809 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CN1C1CC1 ZINC000826479148 609583762 /nfs/dbraw/zinc/58/37/62/609583762.db2.gz RLTMWUKDZYVIPD-VIFPVBQESA-N -1 3 396.860 0.809 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CN1C1CC1 ZINC000282534012 609584016 /nfs/dbraw/zinc/58/40/16/609584016.db2.gz MPPAPERZUBDNIF-VIFPVBQESA-N -1 3 396.860 0.809 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CN1C1CC1 ZINC000282534012 609584018 /nfs/dbraw/zinc/58/40/18/609584018.db2.gz MPPAPERZUBDNIF-VIFPVBQESA-N -1 3 396.860 0.809 20 0 GCADHM CC(C)CS(=O)(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824272300 609584522 /nfs/dbraw/zinc/58/45/22/609584522.db2.gz VRUBBPRRLLQPSK-CQSZACIVSA-N -1 3 378.458 0.938 20 0 GCADHM CN(C1CC1)S(=O)(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825888217 609585355 /nfs/dbraw/zinc/58/53/55/609585355.db2.gz OWZCDKDHBHKICP-AWEZNQCLSA-N -1 3 391.457 0.291 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CN1C1CC1 ZINC000826479493 609585698 /nfs/dbraw/zinc/58/56/98/609585698.db2.gz ZZMYGOYNUOKYAS-JTQLQIEISA-N -1 3 394.432 0.436 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CN1C1CC1 ZINC000826479493 609585702 /nfs/dbraw/zinc/58/57/02/609585702.db2.gz ZZMYGOYNUOKYAS-JTQLQIEISA-N -1 3 394.432 0.436 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)CCCF)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476630 609585861 /nfs/dbraw/zinc/58/58/61/609585861.db2.gz LNAPGJRLCUHGAI-ZDUSSCGKSA-N -1 3 382.421 0.641 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CN1C1CC1 ZINC000826478584 609585905 /nfs/dbraw/zinc/58/59/05/609585905.db2.gz FYTHQOUVYYAHLS-LBPRGKRZSA-N -1 3 376.442 0.297 20 0 GCADHM O=C1C[C@@H](CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CN1C1CC1 ZINC000826478584 609585907 /nfs/dbraw/zinc/58/59/07/609585907.db2.gz FYTHQOUVYYAHLS-LBPRGKRZSA-N -1 3 376.442 0.297 20 0 GCADHM CCN(CC)S(=O)(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825417665 609586516 /nfs/dbraw/zinc/58/65/16/609586516.db2.gz SIUQZOJPCRRHIC-AWEZNQCLSA-N -1 3 393.473 0.538 20 0 GCADHM COC[C@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826148403 609601423 /nfs/dbraw/zinc/60/14/23/609601423.db2.gz HUKSIVKYCMXRDQ-DOMZBBRYSA-N -1 3 387.444 0.944 20 0 GCADHM COC[C@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826148403 609601425 /nfs/dbraw/zinc/60/14/25/609601425.db2.gz HUKSIVKYCMXRDQ-DOMZBBRYSA-N -1 3 387.444 0.944 20 0 GCADHM COC[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826148405 609601639 /nfs/dbraw/zinc/60/16/39/609601639.db2.gz HUKSIVKYCMXRDQ-SWLSCSKDSA-N -1 3 387.444 0.944 20 0 GCADHM COC[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826148405 609601641 /nfs/dbraw/zinc/60/16/41/609601641.db2.gz HUKSIVKYCMXRDQ-SWLSCSKDSA-N -1 3 387.444 0.944 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCOCC3(CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000826394983 609607174 /nfs/dbraw/zinc/60/71/74/609607174.db2.gz HSQHUDUTQJGHSS-UHFFFAOYSA-N -1 3 394.457 0.148 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCOCC3(CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000826394983 609607176 /nfs/dbraw/zinc/60/71/76/609607176.db2.gz HSQHUDUTQJGHSS-UHFFFAOYSA-N -1 3 394.457 0.148 20 0 GCADHM Cn1cc(C=CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826359586 609608951 /nfs/dbraw/zinc/60/89/51/609608951.db2.gz LHVKHHPRJBHAJT-UFNQUYMESA-N -1 3 392.423 0.925 20 0 GCADHM Cn1cc(C=CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826359586 609608952 /nfs/dbraw/zinc/60/89/52/609608952.db2.gz LHVKHHPRJBHAJT-UFNQUYMESA-N -1 3 392.423 0.925 20 0 GCADHM CN1N=C(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC1=O ZINC000826050901 609610213 /nfs/dbraw/zinc/61/02/13/609610213.db2.gz HSJBGEJQFOIVHO-CQSZACIVSA-N -1 3 396.411 0.087 20 0 GCADHM CN1N=C(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC1=O ZINC000826050901 609610214 /nfs/dbraw/zinc/61/02/14/609610214.db2.gz HSJBGEJQFOIVHO-CQSZACIVSA-N -1 3 396.411 0.087 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NCC[C@H]1CCCCO1 ZINC000826420069 609620743 /nfs/dbraw/zinc/62/07/43/609620743.db2.gz XHBFTCTZXDGXRD-OAHLLOKOSA-N -1 3 393.469 0.857 20 0 GCADHM CCC1N=NC(=S)N1CCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825772032 609621280 /nfs/dbraw/zinc/62/12/80/609621280.db2.gz XRUBDQSZGDAFRF-UHFFFAOYSA-N -1 3 387.429 0.064 20 0 GCADHM CCC1N=NC(=S)N1CCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825772032 609621282 /nfs/dbraw/zinc/62/12/82/609621282.db2.gz XRUBDQSZGDAFRF-UHFFFAOYSA-N -1 3 387.429 0.064 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000826133781 609624298 /nfs/dbraw/zinc/62/42/98/609624298.db2.gz PNWMAHLANPPTDX-WCBMZHEXSA-N -1 3 379.398 0.495 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000826133781 609624299 /nfs/dbraw/zinc/62/42/99/609624299.db2.gz PNWMAHLANPPTDX-WCBMZHEXSA-N -1 3 379.398 0.495 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@@H](C(=O)OC)C1 ZINC000826133771 609624393 /nfs/dbraw/zinc/62/43/93/609624393.db2.gz PLNXHFLUHZYIDJ-CEKUCVKPSA-N -1 3 399.407 0.833 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@@H](C(=O)OC)C1 ZINC000826133771 609624395 /nfs/dbraw/zinc/62/43/95/609624395.db2.gz PLNXHFLUHZYIDJ-CEKUCVKPSA-N -1 3 399.407 0.833 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@@H](C(=O)OC)C1 ZINC000826134507 609624899 /nfs/dbraw/zinc/62/48/99/609624899.db2.gz XDJLUMOQTHVCAQ-PSASIEDQSA-N -1 3 379.398 0.495 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@@H](C(=O)OC)C1 ZINC000826134507 609624902 /nfs/dbraw/zinc/62/49/02/609624902.db2.gz XDJLUMOQTHVCAQ-PSASIEDQSA-N -1 3 379.398 0.495 20 0 GCADHM Cc1cc(C(=O)OCCN2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261675 609627346 /nfs/dbraw/zinc/62/73/46/609627346.db2.gz NFDLTHRTMWTSLC-UHFFFAOYSA-N -1 3 383.412 0.850 20 0 GCADHM Cc1cc(C(=O)OCCN2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261675 609627347 /nfs/dbraw/zinc/62/73/47/609627347.db2.gz NFDLTHRTMWTSLC-UHFFFAOYSA-N -1 3 383.412 0.850 20 0 GCADHM Cn1cc(N2CCC[C@@H](OC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826362311 609628399 /nfs/dbraw/zinc/62/83/99/609628399.db2.gz MNIUFPIUDATPQX-CABCVRRESA-N -1 3 397.395 0.372 20 0 GCADHM Cn1cc(N2CCC[C@@H](OC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826362311 609628401 /nfs/dbraw/zinc/62/84/01/609628401.db2.gz MNIUFPIUDATPQX-CABCVRRESA-N -1 3 397.395 0.372 20 0 GCADHM 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CCCCOc1ccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)c([O-])c1 ZINC001184152613 1205905466 /nfs/dbraw/zinc/90/54/66/1205905466.db2.gz QQIVHAUIWHLRSK-IBGZPJMESA-N -1 3 378.425 0.929 20 0 GCADHM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001184414577 1205909763 /nfs/dbraw/zinc/90/97/63/1205909763.db2.gz OGGJEJQIXGOPLP-KOLCDFICSA-N -1 3 385.302 0.511 20 0 GCADHM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001184414577 1205909764 /nfs/dbraw/zinc/90/97/64/1205909764.db2.gz OGGJEJQIXGOPLP-KOLCDFICSA-N -1 3 385.302 0.511 20 0 GCADHM Cc1nc(I)oc1C(=O)Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001184620067 1205912108 /nfs/dbraw/zinc/91/21/08/1205912108.db2.gz HUDQSIPSWVGYOB-UHFFFAOYSA-N -1 3 377.098 0.623 20 0 GCADHM COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)c1[n-]c(=O)ccc1Cl ZINC001184803459 1205913551 /nfs/dbraw/zinc/91/35/51/1205913551.db2.gz UKRKLPLIKQTJCY-KPZWWZAWSA-N -1 3 397.859 0.735 20 0 GCADHM CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)c3[n-]c(=O)ccc3Cl)C[C@@H]21 ZINC001184802335 1205913737 /nfs/dbraw/zinc/91/37/37/1205913737.db2.gz GVEVQCIDPLRWQB-GMXVVIOVSA-N -1 3 382.848 0.615 20 0 GCADHM COCCn1c(=O)ccc2c1CC[C@H](NC(=O)c1[n-]c(=O)ccc1Cl)C2 ZINC001184812420 1205913975 /nfs/dbraw/zinc/91/39/75/1205913975.db2.gz MCOKWRJQDFWKTG-LBPRGKRZSA-N -1 3 377.828 0.962 20 0 GCADHM COC(=O)[C@H](CCCC[N-]S(=O)(=O)c1cccnc1Cl)NC(C)=O ZINC001184909229 1205914602 /nfs/dbraw/zinc/91/46/02/1205914602.db2.gz IARBGWHEJRBKEU-NSHDSACASA-N -1 3 377.850 0.861 20 0 GCADHM COCCn1c(=O)ccc2c1CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)nc1)C2 ZINC001185057782 1205915995 /nfs/dbraw/zinc/91/59/95/1205915995.db2.gz NTTDZGNRUFSOKZ-LBPRGKRZSA-N -1 3 398.872 0.774 20 0 GCADHM O=S(=O)([N-]Cc1ccnc(OC2CCOCC2)n1)c1cnc(Cl)nc1 ZINC001185075805 1205916641 /nfs/dbraw/zinc/91/66/41/1205916641.db2.gz OJPHBULYIXBPDY-UHFFFAOYSA-N -1 3 385.833 0.956 20 0 GCADHM COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185557451 1205923882 /nfs/dbraw/zinc/92/38/82/1205923882.db2.gz XIGUTZNFCSPEHF-OAHLLOKOSA-N -1 3 387.421 0.929 20 0 GCADHM COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185557451 1205923883 /nfs/dbraw/zinc/92/38/83/1205923883.db2.gz XIGUTZNFCSPEHF-OAHLLOKOSA-N -1 3 387.421 0.929 20 0 GCADHM CN1C[C@@]2(CC1=O)CCCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185576697 1205924056 /nfs/dbraw/zinc/92/40/56/1205924056.db2.gz QMOMPIQUERJBIS-INIZCTEOSA-N -1 3 376.442 0.642 20 0 GCADHM CN1C[C@@]2(CC1=O)CCCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185576697 1205924058 /nfs/dbraw/zinc/92/40/58/1205924058.db2.gz QMOMPIQUERJBIS-INIZCTEOSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1Cc1ccccc1 ZINC001185588808 1205924952 /nfs/dbraw/zinc/92/49/52/1205924952.db2.gz XVPWSXTXQUUWNS-UHFFFAOYSA-N -1 3 398.448 0.900 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1Cc1ccccc1 ZINC001185588808 1205924954 /nfs/dbraw/zinc/92/49/54/1205924954.db2.gz XVPWSXTXQUUWNS-UHFFFAOYSA-N -1 3 398.448 0.900 20 0 GCADHM CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185588553 1205925075 /nfs/dbraw/zinc/92/50/75/1205925075.db2.gz QNVQCHOIZVSZPU-LBPRGKRZSA-N -1 3 383.455 0.536 20 0 GCADHM CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185588553 1205925076 /nfs/dbraw/zinc/92/50/76/1205925076.db2.gz QNVQCHOIZVSZPU-LBPRGKRZSA-N -1 3 383.455 0.536 20 0 GCADHM CC(=O)N1CC[C@H](N(C(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185593859 1205925356 /nfs/dbraw/zinc/92/53/56/1205925356.db2.gz XWPQVKOPMIDDIO-AWEZNQCLSA-N -1 3 378.458 0.887 20 0 GCADHM CC(=O)N1CC[C@H](N(C(C)C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185593859 1205925357 /nfs/dbraw/zinc/92/53/57/1205925357.db2.gz XWPQVKOPMIDDIO-AWEZNQCLSA-N -1 3 378.458 0.887 20 0 GCADHM CCOC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001185614848 1205925636 /nfs/dbraw/zinc/92/56/36/1205925636.db2.gz WTYZITYICXZOSC-UHFFFAOYSA-N -1 3 381.414 0.257 20 0 GCADHM CCOC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001185614848 1205925638 /nfs/dbraw/zinc/92/56/38/1205925638.db2.gz WTYZITYICXZOSC-UHFFFAOYSA-N -1 3 381.414 0.257 20 0 GCADHM O=S(=O)(NCc1ccccc1-n1cnnn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185627679 1205925893 /nfs/dbraw/zinc/92/58/93/1205925893.db2.gz DOBGTGPTIGCDFW-UHFFFAOYSA-N -1 3 383.397 0.321 20 0 GCADHM O=S(=O)(NCc1ccccc1-n1cnnn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185627679 1205925894 /nfs/dbraw/zinc/92/58/94/1205925894.db2.gz DOBGTGPTIGCDFW-UHFFFAOYSA-N -1 3 383.397 0.321 20 0 GCADHM COC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)Cc2ncn(C)c21 ZINC001185579568 1205925910 /nfs/dbraw/zinc/92/59/10/1205925910.db2.gz XXOBPSBEIPKRBO-LBPRGKRZSA-N -1 3 389.441 0.535 20 0 GCADHM COC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)Cc2ncn(C)c21 ZINC001185579568 1205925911 /nfs/dbraw/zinc/92/59/11/1205925911.db2.gz XXOBPSBEIPKRBO-LBPRGKRZSA-N -1 3 389.441 0.535 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC001185583920 1205925930 /nfs/dbraw/zinc/92/59/30/1205925930.db2.gz PMMJTAYVQJEEPD-UHFFFAOYSA-N -1 3 385.453 0.768 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC001185583920 1205925932 /nfs/dbraw/zinc/92/59/32/1205925932.db2.gz PMMJTAYVQJEEPD-UHFFFAOYSA-N -1 3 385.453 0.768 20 0 GCADHM O=S(=O)(N[C@@H]1CCC[C@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628521 1205926023 /nfs/dbraw/zinc/92/60/23/1205926023.db2.gz RIRGXLUHSQGDPO-HUUCEWRRSA-N -1 3 378.458 0.398 20 0 GCADHM O=S(=O)(N[C@@H]1CCC[C@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628521 1205926024 /nfs/dbraw/zinc/92/60/24/1205926024.db2.gz RIRGXLUHSQGDPO-HUUCEWRRSA-N -1 3 378.458 0.398 20 0 GCADHM COc1cc(C)[nH]c(=O)c1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185631312 1205926203 /nfs/dbraw/zinc/92/62/03/1205926203.db2.gz DSEFEYWCHQAYAV-UHFFFAOYSA-N -1 3 376.398 0.763 20 0 GCADHM COc1cc(C)[nH]c(=O)c1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185631312 1205926205 /nfs/dbraw/zinc/92/62/05/1205926205.db2.gz DSEFEYWCHQAYAV-UHFFFAOYSA-N -1 3 376.398 0.763 20 0 GCADHM O=C(N[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)C1CC1 ZINC001185632363 1205926342 /nfs/dbraw/zinc/92/63/42/1205926342.db2.gz WEHLUTSHUJTOPP-HDJSIYSDSA-N -1 3 390.469 0.982 20 0 GCADHM O=C(N[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1)C1CC1 ZINC001185632363 1205926343 /nfs/dbraw/zinc/92/63/43/1205926343.db2.gz WEHLUTSHUJTOPP-HDJSIYSDSA-N -1 3 390.469 0.982 20 0 GCADHM O=S(=O)(N[C@@H]1Oc2ccc(CCO)cc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185637791 1205926405 /nfs/dbraw/zinc/92/64/05/1205926405.db2.gz LHNGGIQVMVSOIL-MRXNPFEDSA-N -1 3 389.393 0.435 20 0 GCADHM O=S(=O)(N[C@@H]1Oc2ccc(CCO)cc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185637791 1205926406 /nfs/dbraw/zinc/92/64/06/1205926406.db2.gz LHNGGIQVMVSOIL-MRXNPFEDSA-N -1 3 389.393 0.435 20 0 GCADHM CCOC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185620617 1205926780 /nfs/dbraw/zinc/92/67/80/1205926780.db2.gz KCHRMLAKESESDA-GFCCVEGCSA-N -1 3 385.471 0.830 20 0 GCADHM CCOC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185620617 1205926781 /nfs/dbraw/zinc/92/67/81/1205926781.db2.gz KCHRMLAKESESDA-GFCCVEGCSA-N -1 3 385.471 0.830 20 0 GCADHM O=C1C=CC(=O)N1CCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185620453 1205926811 /nfs/dbraw/zinc/92/68/11/1205926811.db2.gz FZIIBKQOAQCSLB-UHFFFAOYSA-N -1 3 390.425 0.240 20 0 GCADHM O=C1C=CC(=O)N1CCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185620453 1205926813 /nfs/dbraw/zinc/92/68/13/1205926813.db2.gz FZIIBKQOAQCSLB-UHFFFAOYSA-N -1 3 390.425 0.240 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC001185620226 1205926889 /nfs/dbraw/zinc/92/68/89/1205926889.db2.gz AHESYHHCAANCJQ-UHFFFAOYSA-N -1 3 390.400 0.714 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC001185620226 1205926891 /nfs/dbraw/zinc/92/68/91/1205926891.db2.gz AHESYHHCAANCJQ-UHFFFAOYSA-N -1 3 390.400 0.714 20 0 GCADHM CCNC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185622025 1205927158 /nfs/dbraw/zinc/92/71/58/1205927158.db2.gz GQIULEYQYPQERD-UHFFFAOYSA-N -1 3 379.446 0.339 20 0 GCADHM CCNC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185622025 1205927159 /nfs/dbraw/zinc/92/71/59/1205927159.db2.gz GQIULEYQYPQERD-UHFFFAOYSA-N -1 3 379.446 0.339 20 0 GCADHM O=S(=O)(NC[C@@]1(O)CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001185624207 1205927347 /nfs/dbraw/zinc/92/73/47/1205927347.db2.gz QRWDKHQFDQNGIQ-KRWDZBQOSA-N -1 3 387.421 0.815 20 0 GCADHM O=S(=O)(NC[C@@]1(O)CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001185624207 1205927348 /nfs/dbraw/zinc/92/73/48/1205927348.db2.gz QRWDKHQFDQNGIQ-KRWDZBQOSA-N -1 3 387.421 0.815 20 0 GCADHM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001185844461 1205930549 /nfs/dbraw/zinc/93/05/49/1205930549.db2.gz SICITNZGIALZLZ-BFHYXJOUSA-N -1 3 396.444 0.413 20 0 GCADHM CCOC(=O)N[C@@H](CC(N)=O)C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001185862516 1205930899 /nfs/dbraw/zinc/93/08/99/1205930899.db2.gz KZVSPEOBDZVVTM-NSHDSACASA-N -1 3 388.384 0.159 20 0 GCADHM O=S(=O)(CC[N-]S(=O)(=O)Cc1noc(C2CC2)n1)Cc1ccccc1 ZINC001185936364 1205932444 /nfs/dbraw/zinc/93/24/44/1205932444.db2.gz WSCKPHIBQOYRMW-UHFFFAOYSA-N -1 3 385.467 0.981 20 0 GCADHM CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001185981933 1205933079 /nfs/dbraw/zinc/93/30/79/1205933079.db2.gz QJHBGQNITYUDAM-UHFFFAOYSA-N -1 3 398.919 0.951 20 0 GCADHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CCS(C)(=O)=O ZINC001186197014 1205936168 /nfs/dbraw/zinc/93/61/68/1205936168.db2.gz YUZKMMVLFDXKFQ-UHFFFAOYSA-N -1 3 397.276 0.123 20 0 GCADHM Cc1ccc(Br)cc1NC(=O)C[N-]S(=O)(=O)c1nncn1C ZINC001186213007 1205936957 /nfs/dbraw/zinc/93/69/57/1205936957.db2.gz MTGYRZZEERRLEO-UHFFFAOYSA-N -1 3 388.247 0.803 20 0 GCADHM O=S(=O)([N-]CCN1CC[C@@H](O)C1)c1cnc(Cl)c(Br)c1 ZINC001186352835 1205938234 /nfs/dbraw/zinc/93/82/34/1205938234.db2.gz SBWWXRHYUAKRJU-MRVPVSSYSA-N -1 3 384.683 0.842 20 0 GCADHM NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc([O-])cc1F ZINC001186348963 1205938412 /nfs/dbraw/zinc/93/84/12/1205938412.db2.gz VTBBCGLZUXTHEP-GJZGRUSLSA-N -1 3 389.387 0.072 20 0 GCADHM O=S(=O)([N-]C1CN(C2COC2)C1)c1cnc(Cl)c(Br)c1 ZINC001186365701 1205938581 /nfs/dbraw/zinc/93/85/81/1205938581.db2.gz DSRGZBGOOHDPGK-UHFFFAOYSA-N -1 3 382.667 0.859 20 0 GCADHM Cn1cc(S(=O)(=O)[N-]CCc2cccc(C(N)=O)c2)c(Br)n1 ZINC001186369897 1205938808 /nfs/dbraw/zinc/93/88/08/1205938808.db2.gz ZBEJWQSUDAQNFP-UHFFFAOYSA-N -1 3 387.259 0.803 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001186502667 1205940653 /nfs/dbraw/zinc/94/06/53/1205940653.db2.gz NKSIVYOVBNSMOI-BARDWOONSA-N -1 3 394.472 0.887 20 0 GCADHM CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)NCc1ncccc1[O-])C(C)C ZINC001186621531 1205943603 /nfs/dbraw/zinc/94/36/03/1205943603.db2.gz ZXEOGALZAMPDPG-WFASDCNBSA-N -1 3 382.486 0.412 20 0 GCADHM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001186802271 1205947656 /nfs/dbraw/zinc/94/76/56/1205947656.db2.gz KKPNRMJJLJTFOC-VEVIJQCQSA-N -1 3 379.413 0.122 20 0 GCADHM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 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945140268 /nfs/dbraw/zinc/14/02/68/945140268.db2.gz ORXJASSETKLORK-UHFFFAOYSA-N -1 3 384.444 0.032 20 0 GCADHM O=C(CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCCC1 ZINC000737873704 945140270 /nfs/dbraw/zinc/14/02/70/945140270.db2.gz ORXJASSETKLORK-UHFFFAOYSA-N -1 3 384.444 0.032 20 0 GCADHM O=C(CN1CC[C@H](CCO)C1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737878947 945142950 /nfs/dbraw/zinc/14/29/50/945142950.db2.gz QSNJTBUNMXUJSB-CYBMUJFWSA-N -1 3 382.428 0.695 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(c3nnc(C)c(C)c3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000819796120 945291113 /nfs/dbraw/zinc/29/11/13/945291113.db2.gz CNYQTHVVZABXGE-NHYWBVRUSA-N -1 3 385.476 0.262 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(c3nnc(C)c(C)c3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000819796120 945291126 /nfs/dbraw/zinc/29/11/26/945291126.db2.gz CNYQTHVVZABXGE-NHYWBVRUSA-N -1 3 385.476 0.262 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@@H]2C)CC1 ZINC000819796562 945291162 /nfs/dbraw/zinc/29/11/62/945291162.db2.gz LPENZBMHXXLARS-XHDPSFHLSA-N -1 3 390.879 0.904 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@@H]2C)CC1 ZINC000819796562 945291168 /nfs/dbraw/zinc/29/11/68/945291168.db2.gz LPENZBMHXXLARS-XHDPSFHLSA-N -1 3 390.879 0.904 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(c2cnn(C)c2)CC1 ZINC000819877152 945304267 /nfs/dbraw/zinc/30/42/67/945304267.db2.gz PTAIXDWSHLGIRE-CYBMUJFWSA-N -1 3 381.444 0.749 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(c2cnn(C)c2)CC1 ZINC000819877152 945304275 /nfs/dbraw/zinc/30/42/75/945304275.db2.gz PTAIXDWSHLGIRE-CYBMUJFWSA-N -1 3 381.444 0.749 20 0 GCADHM CCO[C@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571257603 945341965 /nfs/dbraw/zinc/34/19/65/945341965.db2.gz HIXUYXAEQIEREQ-RISCZKNCSA-N -1 3 385.428 0.294 20 0 GCADHM CCO[C@H]1C[C@H]1C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571257603 945341975 /nfs/dbraw/zinc/34/19/75/945341975.db2.gz HIXUYXAEQIEREQ-RISCZKNCSA-N -1 3 385.428 0.294 20 0 GCADHM Cc1nnc(CC(=O)N2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)[nH]1 ZINC001571257605 945343278 /nfs/dbraw/zinc/34/32/78/945343278.db2.gz HJYYGNQDVGKIEA-UHFFFAOYSA-N -1 3 385.407 0.319 20 0 GCADHM CC[C@H]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)O1 ZINC001571257770 945343984 /nfs/dbraw/zinc/34/39/84/945343984.db2.gz JCQWEHXPLHOATJ-ZZVJUGKHSA-N -1 3 385.428 0.339 20 0 GCADHM CC[C@H]1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)O1 ZINC001571257770 945343995 /nfs/dbraw/zinc/34/39/95/945343995.db2.gz JCQWEHXPLHOATJ-ZZVJUGKHSA-N -1 3 385.428 0.339 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1NC(=O)C1=COCCO1 ZINC001571257808 945344194 /nfs/dbraw/zinc/34/41/94/945344194.db2.gz JUPOZNBTMMFDQL-HNNXBMFYSA-N -1 3 385.428 0.871 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1NC(=O)C1=COCCO1 ZINC001571257808 945344206 /nfs/dbraw/zinc/34/42/06/945344206.db2.gz JUPOZNBTMMFDQL-HNNXBMFYSA-N -1 3 385.428 0.871 20 0 GCADHM CN(C[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1)C(=O)c1cnn(C)n1 ZINC001571257803 945344676 /nfs/dbraw/zinc/34/46/76/945344676.db2.gz JTSWHVQSOXGXOJ-CYBMUJFWSA-N -1 3 385.407 0.481 20 0 GCADHM Cc1c(CC(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)cnn1C ZINC001571258074 945347971 /nfs/dbraw/zinc/34/79/71/945347971.db2.gz MGUFSNFJZIWTCX-CYBMUJFWSA-N -1 3 385.407 0.380 20 0 GCADHM Cc1c(CC(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)cnn1C ZINC001571258074 945347979 /nfs/dbraw/zinc/34/79/79/945347979.db2.gz MGUFSNFJZIWTCX-CYBMUJFWSA-N -1 3 385.407 0.380 20 0 GCADHM CCN(C(=O)C1=COCCO1)[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571258145 945348715 /nfs/dbraw/zinc/34/87/15/945348715.db2.gz NJAPEYZHRIBBER-ZDUSSCGKSA-N -1 3 385.428 0.886 20 0 GCADHM CCN(C(=O)C1=COCCO1)[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571258145 945348727 /nfs/dbraw/zinc/34/87/27/945348727.db2.gz NJAPEYZHRIBBER-ZDUSSCGKSA-N -1 3 385.428 0.886 20 0 GCADHM Cn1ncc(CCC(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)n1 ZINC001571258204 945350664 /nfs/dbraw/zinc/35/06/64/945350664.db2.gz NQDQNAKFSBQGJT-GFCCVEGCSA-N -1 3 385.407 0.780 20 0 GCADHM Cn1ncc(CCC(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)n1 ZINC001571258204 945350677 /nfs/dbraw/zinc/35/06/77/945350677.db2.gz NQDQNAKFSBQGJT-GFCCVEGCSA-N -1 3 385.407 0.780 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N2CC3(C2)CCN(C(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)CO1 ZINC001571258550 945356559 /nfs/dbraw/zinc/35/65/59/945356559.db2.gz VUNPTZCNJCPXKV-NWDGAFQWSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N2CC3(C2)CCN(C(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)CO1 ZINC001571258550 945356572 /nfs/dbraw/zinc/35/65/72/945356572.db2.gz VUNPTZCNJCPXKV-NWDGAFQWSA-N -1 3 385.428 0.294 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2CCCN2Cc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC001571258597 945357695 /nfs/dbraw/zinc/35/76/95/945357695.db2.gz XAVONEHFJSPNGP-GFCCVEGCSA-N -1 3 385.407 0.529 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2CCCN2Cc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC001571258597 945357709 /nfs/dbraw/zinc/35/77/09/945357709.db2.gz XAVONEHFJSPNGP-GFCCVEGCSA-N -1 3 385.407 0.529 20 0 GCADHM Cn1ccnc1CCC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571258624 945358865 /nfs/dbraw/zinc/35/88/65/945358865.db2.gz XVVLUEMODNVTDI-LBPRGKRZSA-N -1 3 385.407 0.780 20 0 GCADHM Cn1ccnc1CCC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571258624 945358878 /nfs/dbraw/zinc/35/88/78/945358878.db2.gz XVVLUEMODNVTDI-LBPRGKRZSA-N -1 3 385.407 0.780 20 0 GCADHM Cc1cn(C)nc1C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571258646 945361005 /nfs/dbraw/zinc/36/10/05/945361005.db2.gz YFLHGLSGQGUMEE-LBPRGKRZSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1cn(C)nc1C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571258646 945361018 /nfs/dbraw/zinc/36/10/18/945361018.db2.gz YFLHGLSGQGUMEE-LBPRGKRZSA-N -1 3 385.407 0.842 20 0 GCADHM CN(C(=O)c1cn(C)nn1)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571258634 945361419 /nfs/dbraw/zinc/36/14/19/945361419.db2.gz XWSGFAWECNFFEW-ZDUSSCGKSA-N -1 3 385.407 0.481 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CO)C(C)C ZINC000820151292 945363921 /nfs/dbraw/zinc/36/39/21/945363921.db2.gz GGVLRFWSMCDFDO-CYBMUJFWSA-N -1 3 376.417 0.726 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CO)C(C)C ZINC000820151292 945363933 /nfs/dbraw/zinc/36/39/33/945363933.db2.gz GGVLRFWSMCDFDO-CYBMUJFWSA-N -1 3 376.417 0.726 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820145741 945364320 /nfs/dbraw/zinc/36/43/20/945364320.db2.gz FSRNMTGLYBYWGJ-UHFFFAOYSA-N -1 3 396.473 0.170 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820145741 945364332 /nfs/dbraw/zinc/36/43/32/945364332.db2.gz FSRNMTGLYBYWGJ-UHFFFAOYSA-N -1 3 396.473 0.170 20 0 GCADHM CCCc1noc(CN[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571258736 945364780 /nfs/dbraw/zinc/36/47/80/945364780.db2.gz AMBWJVTZTMJQAZ-CMPLNLGQSA-N -1 3 385.432 0.923 20 0 GCADHM CCCc1noc(CN[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571258736 945364794 /nfs/dbraw/zinc/36/47/94/945364794.db2.gz AMBWJVTZTMJQAZ-CMPLNLGQSA-N -1 3 385.432 0.923 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001571258823 945366246 /nfs/dbraw/zinc/36/62/46/945366246.db2.gz CIGXHKMGLYYWRD-SCLBCKFNSA-N -1 3 385.428 0.296 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001571258823 945366259 /nfs/dbraw/zinc/36/62/59/945366259.db2.gz CIGXHKMGLYYWRD-SCLBCKFNSA-N -1 3 385.428 0.296 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001571258824 945367372 /nfs/dbraw/zinc/36/73/72/945367372.db2.gz CIGXHKMGLYYWRD-UGSOOPFHSA-N -1 3 385.428 0.296 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCN(C(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC001571258824 945367382 /nfs/dbraw/zinc/36/73/82/945367382.db2.gz CIGXHKMGLYYWRD-UGSOOPFHSA-N -1 3 385.428 0.296 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC001571258822 945367492 /nfs/dbraw/zinc/36/74/92/945367492.db2.gz CIGXHKMGLYYWRD-FZKQIMNGSA-N -1 3 385.428 0.296 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC001571258822 945367499 /nfs/dbraw/zinc/36/74/99/945367499.db2.gz CIGXHKMGLYYWRD-FZKQIMNGSA-N -1 3 385.428 0.296 20 0 GCADHM CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820184277 945368138 /nfs/dbraw/zinc/36/81/38/945368138.db2.gz ZARYMTZELFSVFH-LLVKDONJSA-N -1 3 386.334 0.957 20 0 GCADHM CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820184277 945368151 /nfs/dbraw/zinc/36/81/51/945368151.db2.gz ZARYMTZELFSVFH-LLVKDONJSA-N -1 3 386.334 0.957 20 0 GCADHM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)cn2)CCO1 ZINC000736290546 944788970 /nfs/dbraw/zinc/78/89/70/944788970.db2.gz QTGYAIFOPPSFCE-LBPRGKRZSA-N -1 3 380.412 0.812 20 0 GCADHM C[C@H]1CN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)cn2)CCO1 ZINC000736290546 944788976 /nfs/dbraw/zinc/78/89/76/944788976.db2.gz QTGYAIFOPPSFCE-LBPRGKRZSA-N -1 3 380.412 0.812 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000736506235 944836973 /nfs/dbraw/zinc/83/69/73/944836973.db2.gz YYYHPYHDFKVDBK-GFCCVEGCSA-N -1 3 381.458 0.917 20 0 GCADHM CN(CCN1CCCC1=O)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736798813 944893995 /nfs/dbraw/zinc/89/39/95/944893995.db2.gz HVCUEUDPLDFMCE-INIZCTEOSA-N -1 3 383.456 0.916 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000737298955 945032994 /nfs/dbraw/zinc/03/29/94/945032994.db2.gz MZTCPCRGTTZWFX-UHFFFAOYSA-N -1 3 386.441 0.849 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000737298955 945033005 /nfs/dbraw/zinc/03/30/05/945033005.db2.gz MZTCPCRGTTZWFX-UHFFFAOYSA-N -1 3 386.441 0.849 20 0 GCADHM CCc1nc(CNC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001571258955 945371540 /nfs/dbraw/zinc/37/15/40/945371540.db2.gz FOWZGQIQAMQQNI-LBPRGKRZSA-N -1 3 385.432 0.925 20 0 GCADHM CCc1nc(CNC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001571258955 945371548 /nfs/dbraw/zinc/37/15/48/945371548.db2.gz FOWZGQIQAMQQNI-LBPRGKRZSA-N -1 3 385.432 0.925 20 0 GCADHM CCc1noc(CN(C)C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571259003 945372335 /nfs/dbraw/zinc/37/23/35/945372335.db2.gz GGXAHVDHIIRRAP-NSHDSACASA-N -1 3 385.432 0.734 20 0 GCADHM CCc1noc(CN(C)C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571259001 945372546 /nfs/dbraw/zinc/37/25/46/945372546.db2.gz GGXAHVDHIIRRAP-LLVKDONJSA-N -1 3 385.432 0.734 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)C2=CCOCC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571259425 945386126 /nfs/dbraw/zinc/38/61/26/945386126.db2.gz NCOACGZGPOSOJZ-LBPRGKRZSA-N -1 3 385.428 0.510 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)C2=CCOCC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571259425 945386138 /nfs/dbraw/zinc/38/61/38/945386138.db2.gz NCOACGZGPOSOJZ-LBPRGKRZSA-N -1 3 385.428 0.510 20 0 GCADHM O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1=COCCC1 ZINC001571259389 945386766 /nfs/dbraw/zinc/38/67/66/945386766.db2.gz MHRGVMDVJIESJA-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM O=C(NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1=COCCC1 ZINC001571259389 945386775 /nfs/dbraw/zinc/38/67/75/945386775.db2.gz MHRGVMDVJIESJA-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571259530 945390612 /nfs/dbraw/zinc/39/06/12/945390612.db2.gz OCMYZXJMKLYRAU-GUTXKFCHSA-N -1 3 385.428 0.341 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571259530 945390619 /nfs/dbraw/zinc/39/06/19/945390619.db2.gz OCMYZXJMKLYRAU-GUTXKFCHSA-N -1 3 385.428 0.341 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001571259587 945391651 /nfs/dbraw/zinc/39/16/51/945391651.db2.gz OXSOLCFKUNTXGN-XQQFMLRXSA-N -1 3 385.428 0.579 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571259587 945391663 /nfs/dbraw/zinc/39/16/63/945391663.db2.gz OXSOLCFKUNTXGN-XQQFMLRXSA-N -1 3 385.428 0.579 20 0 GCADHM CCc1nnc(CN2CC[C@H](N(CC)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001571259541 945391930 /nfs/dbraw/zinc/39/19/30/945391930.db2.gz OFBMWNATBRWJKY-NSHDSACASA-N -1 3 385.432 0.877 20 0 GCADHM CCc1nnc(CN2CC[C@H](N(CC)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001571259541 945391944 /nfs/dbraw/zinc/39/19/44/945391944.db2.gz OFBMWNATBRWJKY-NSHDSACASA-N -1 3 385.432 0.877 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1=COCCC1 ZINC001571259646 945392994 /nfs/dbraw/zinc/39/29/94/945392994.db2.gz PLNHUNIRDMEBPV-LBPRGKRZSA-N -1 3 385.428 0.858 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1=COCCC1 ZINC001571259646 945393004 /nfs/dbraw/zinc/39/30/04/945393004.db2.gz PLNHUNIRDMEBPV-LBPRGKRZSA-N -1 3 385.428 0.858 20 0 GCADHM O=C(C[C@H]1CCCO1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571259734 945397497 /nfs/dbraw/zinc/39/74/97/945397497.db2.gz QCABKZKRONNSGO-CXTNEJHOSA-N -1 3 385.428 0.626 20 0 GCADHM O=C(C[C@H]1CCCO1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571259734 945397504 /nfs/dbraw/zinc/39/75/04/945397504.db2.gz QCABKZKRONNSGO-CXTNEJHOSA-N -1 3 385.428 0.626 20 0 GCADHM CCc1nc(CN(C)C[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001571259760 945400271 /nfs/dbraw/zinc/40/02/71/945400271.db2.gz QOZXMEJWJFYROF-NSHDSACASA-N -1 3 385.432 0.877 20 0 GCADHM CCc1nc(CN(C)C[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001571259760 945400277 /nfs/dbraw/zinc/40/02/77/945400277.db2.gz QOZXMEJWJFYROF-NSHDSACASA-N -1 3 385.432 0.877 20 0 GCADHM CO[C@H](C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1)C1CC1 ZINC001571259968 945403312 /nfs/dbraw/zinc/40/33/12/945403312.db2.gz UKNRGPDREZYHQZ-AWEZNQCLSA-N -1 3 385.428 0.294 20 0 GCADHM CO[C@H](C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1)C1CC1 ZINC001571259968 945403316 /nfs/dbraw/zinc/40/33/16/945403316.db2.gz UKNRGPDREZYHQZ-AWEZNQCLSA-N -1 3 385.428 0.294 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571259981 945403536 /nfs/dbraw/zinc/40/35/36/945403536.db2.gz UWEQWWFXLFGVSC-KGLIPLIRSA-N -1 3 385.428 0.403 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571259981 945403540 /nfs/dbraw/zinc/40/35/40/945403540.db2.gz UWEQWWFXLFGVSC-KGLIPLIRSA-N -1 3 385.428 0.403 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820286429 945404835 /nfs/dbraw/zinc/40/48/35/945404835.db2.gz BCDQDCJGMXEKKP-NWDGAFQWSA-N -1 3 376.421 0.167 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820286429 945404839 /nfs/dbraw/zinc/40/48/39/945404839.db2.gz BCDQDCJGMXEKKP-NWDGAFQWSA-N -1 3 376.421 0.167 20 0 GCADHM CO[C@@H](C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1)C1CC1 ZINC001571260116 945408276 /nfs/dbraw/zinc/40/82/76/945408276.db2.gz WCNVVTXWCMEKSC-GUIRCDHDSA-N -1 3 385.428 0.054 20 0 GCADHM CO[C@@H](C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1)C1CC1 ZINC001571260116 945408283 /nfs/dbraw/zinc/40/82/83/945408283.db2.gz WCNVVTXWCMEKSC-GUIRCDHDSA-N -1 3 385.428 0.054 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@H](Cn2cncn2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350776 945425946 /nfs/dbraw/zinc/42/59/46/945425946.db2.gz LUJXAXYNHVCNKO-WFASDCNBSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@H](Cn2cncn2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350776 945425952 /nfs/dbraw/zinc/42/59/52/945425952.db2.gz LUJXAXYNHVCNKO-WFASDCNBSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@@H](NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)[C@H](C)N1CCOCC1 ZINC000820365136 945430633 /nfs/dbraw/zinc/43/06/33/945430633.db2.gz HQALDGDXELRMIG-NEPJUHHUSA-N -1 3 377.424 0.914 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)s1 ZINC001571261889 945433574 /nfs/dbraw/zinc/43/35/74/945433574.db2.gz LPWZXBTWMJVCJF-KGLIPLIRSA-N -1 3 385.453 0.540 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)s1 ZINC001571261889 945433577 /nfs/dbraw/zinc/43/35/77/945433577.db2.gz LPWZXBTWMJVCJF-KGLIPLIRSA-N -1 3 385.453 0.540 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001571262141 945434980 /nfs/dbraw/zinc/43/49/80/945434980.db2.gz NMRCQJMKMXBERK-SRVKXCTJSA-N -1 3 385.457 0.566 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001571262141 945434987 /nfs/dbraw/zinc/43/49/87/945434987.db2.gz NMRCQJMKMXBERK-SRVKXCTJSA-N -1 3 385.457 0.566 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820446028 945450742 /nfs/dbraw/zinc/45/07/42/945450742.db2.gz TUYIMCXVDQJDON-FZMZJTMJSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820446028 945450746 /nfs/dbraw/zinc/45/07/46/945450746.db2.gz TUYIMCXVDQJDON-FZMZJTMJSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCCOC1 ZINC000820445157 945451141 /nfs/dbraw/zinc/45/11/41/945451141.db2.gz OAYHUJDVGSUNBG-PWSUYJOCSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCCOC1 ZINC000820445157 945451146 /nfs/dbraw/zinc/45/11/46/945451146.db2.gz OAYHUJDVGSUNBG-PWSUYJOCSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H]1C1CC1 ZINC000820446424 945452619 /nfs/dbraw/zinc/45/26/19/945452619.db2.gz WFQFBKMEJFOTOK-ABAIWWIYSA-N -1 3 390.469 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H]1C1CC1 ZINC000820446424 945452627 /nfs/dbraw/zinc/45/26/27/945452627.db2.gz WFQFBKMEJFOTOK-ABAIWWIYSA-N -1 3 390.469 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCCOC1 ZINC000820447134 945452702 /nfs/dbraw/zinc/45/27/02/945452702.db2.gz YKNMPWINKVEPFW-NEPJUHHUSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCOC1 ZINC000820447134 945452711 /nfs/dbraw/zinc/45/27/11/945452711.db2.gz YKNMPWINKVEPFW-NEPJUHHUSA-N -1 3 394.457 0.076 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cnsn1)C2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571263737 945465224 /nfs/dbraw/zinc/46/52/24/945465224.db2.gz XMBLXWPYZHJBHJ-GAFUQQFSSA-N -1 3 385.457 0.829 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(Cc1cnsn1)C2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571263737 945465230 /nfs/dbraw/zinc/46/52/30/945465230.db2.gz XMBLXWPYZHJBHJ-GAFUQQFSSA-N -1 3 385.457 0.829 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N(C)C1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571264606 945488259 /nfs/dbraw/zinc/48/82/59/945488259.db2.gz RYTMKMOGHXMRME-KRWDZBQOSA-N -1 3 385.472 0.230 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N(C)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571264606 945488262 /nfs/dbraw/zinc/48/82/62/945488262.db2.gz RYTMKMOGHXMRME-KRWDZBQOSA-N -1 3 385.472 0.230 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)C2)NC(=O)NC1=O 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/nfs/dbraw/zinc/49/84/88/945498488.db2.gz LUIXKHYRABPQQV-SFHVURJKSA-N -1 3 398.427 0.386 20 0 GCADHM CC1=C(C(=O)N2CCOCC2)[C@H](c2cc(-c3nnn[n-]3)cs2)NC(=S)N1 ZINC000820634364 945504635 /nfs/dbraw/zinc/50/46/35/945504635.db2.gz GQQMMVYKGWLYCB-LBPRGKRZSA-N -1 3 391.482 0.580 20 0 GCADHM CC1=C(C(=O)N2CCOCC2)[C@H](c2cc(-c3nn[n-]n3)cs2)NC(=S)N1 ZINC000820634364 945504640 /nfs/dbraw/zinc/50/46/40/945504640.db2.gz GQQMMVYKGWLYCB-LBPRGKRZSA-N -1 3 391.482 0.580 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1C[C@H]2CN(c3ncncc3Cl)C[C@H]2C1 ZINC001571265843 945524543 /nfs/dbraw/zinc/52/45/43/945524543.db2.gz QOMRVHJVADWYAB-AOOOYVTPSA-N -1 3 385.819 0.847 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@H]2CN(c3ncncc3Cl)C[C@H]2C1 ZINC001571265843 945524548 /nfs/dbraw/zinc/52/45/48/945524548.db2.gz QOMRVHJVADWYAB-AOOOYVTPSA-N -1 3 385.819 0.847 20 0 GCADHM CN1CCC[C@H]1C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001571266235 945533507 /nfs/dbraw/zinc/53/35/07/945533507.db2.gz YFPKNIDQXWZRPY-KBPBESRZSA-N 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CN(C(=O)c1c[nH]c(=O)n1C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571266939 945557339 /nfs/dbraw/zinc/55/73/39/945557339.db2.gz CVPXVJIEFLDDRU-UHFFFAOYSA-N -1 3 386.391 0.401 20 0 GCADHM CN(C(=O)c1c[nH]c(=O)n1C)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571266939 945557346 /nfs/dbraw/zinc/55/73/46/945557346.db2.gz CVPXVJIEFLDDRU-UHFFFAOYSA-N -1 3 386.391 0.401 20 0 GCADHM COc1cc(C(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)on1 ZINC001571267003 945559377 /nfs/dbraw/zinc/55/93/77/945559377.db2.gz FYIONHMNCWSYRK-JTQLQIEISA-N -1 3 386.372 0.178 20 0 GCADHM COc1cc(C(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)on1 ZINC001571267003 945559384 /nfs/dbraw/zinc/55/93/84/945559384.db2.gz FYIONHMNCWSYRK-JTQLQIEISA-N -1 3 386.372 0.178 20 0 GCADHM O=C(NC[C@@H]1CN(CC=C(Cl)Cl)CCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571267358 945567865 /nfs/dbraw/zinc/56/78/65/945567865.db2.gz RSKWTSVWKVDZDU-SNVBAGLBSA-N -1 3 386.243 0.944 20 0 GCADHM O=C(NC[C@@H]1CN(CC=C(Cl)Cl)CCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571267358 945567868 /nfs/dbraw/zinc/56/78/68/945567868.db2.gz RSKWTSVWKVDZDU-SNVBAGLBSA-N -1 3 386.243 0.944 20 0 GCADHM COc1c(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cnn1C ZINC001571267385 945569350 /nfs/dbraw/zinc/56/93/50/945569350.db2.gz SSMUKJKMEZAJBB-UHFFFAOYSA-N -1 3 386.391 0.710 20 0 GCADHM COc1c(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cnn1C ZINC001571267385 945569355 /nfs/dbraw/zinc/56/93/55/945569355.db2.gz SSMUKJKMEZAJBB-UHFFFAOYSA-N -1 3 386.391 0.710 20 0 GCADHM COc1nc(C(=O)N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)co1 ZINC001571267409 945569696 /nfs/dbraw/zinc/56/96/96/945569696.db2.gz UPVYDQJWURLBSB-UHFFFAOYSA-N -1 3 386.372 0.180 20 0 GCADHM COc1nc(C(=O)N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)co1 ZINC001571267409 945569704 /nfs/dbraw/zinc/56/97/04/945569704.db2.gz UPVYDQJWURLBSB-UHFFFAOYSA-N -1 3 386.372 0.180 20 0 GCADHM O=C(Cc1ccco1)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001571267570 945573606 /nfs/dbraw/zinc/57/36/06/945573606.db2.gz YTSVTKXUYXPNQN-CVEARBPZSA-N -1 3 386.387 0.503 20 0 GCADHM O=C(Cc1ccco1)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001571267570 945573611 /nfs/dbraw/zinc/57/36/11/945573611.db2.gz YTSVTKXUYXPNQN-CVEARBPZSA-N -1 3 386.387 0.503 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O)c1ncc[nH]1 ZINC001571267663 945575777 /nfs/dbraw/zinc/57/57/77/945575777.db2.gz BHPGWBYVUCVFAI-UONOGXRCSA-N -1 3 386.391 0.094 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CC[C@H](NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267687 945577194 /nfs/dbraw/zinc/57/71/94/945577194.db2.gz BRAATAJBGMBJOB-ZJUUUORDSA-N -1 3 386.395 0.838 20 0 GCADHM Cn1nncc1C(=O)N1CC[C@@](C)(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571267755 945577699 /nfs/dbraw/zinc/57/76/99/945577699.db2.gz DEOLPGOOKZRPLQ-INIZCTEOSA-N -1 3 386.395 0.494 20 0 GCADHM Cn1nncc1C(=O)N1CC[C@@](C)(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571267755 945577704 /nfs/dbraw/zinc/57/77/04/945577704.db2.gz DEOLPGOOKZRPLQ-INIZCTEOSA-N -1 3 386.395 0.494 20 0 GCADHM COc1cc(CN2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)on1 ZINC001571267720 945577754 /nfs/dbraw/zinc/57/77/54/945577754.db2.gz CQEGVYSTUHZYGP-MFKMUULPSA-N -1 3 386.416 0.974 20 0 GCADHM COc1cc(CN2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)on1 ZINC001571267720 945577758 /nfs/dbraw/zinc/57/77/58/945577758.db2.gz CQEGVYSTUHZYGP-MFKMUULPSA-N -1 3 386.416 0.974 20 0 GCADHM Cn1nncc1C(=O)N1CCC(CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571267701 945577923 /nfs/dbraw/zinc/57/79/23/945577923.db2.gz BZSZQYAXYAOEQW-UHFFFAOYSA-N -1 3 386.395 0.494 20 0 GCADHM Cn1nncc1C(=O)N1CCC(CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571267701 945577925 /nfs/dbraw/zinc/57/79/25/945577925.db2.gz BZSZQYAXYAOEQW-UHFFFAOYSA-N -1 3 386.395 0.494 20 0 GCADHM CCn1nncc1C(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571267749 945577934 /nfs/dbraw/zinc/57/79/34/945577934.db2.gz DCMZPHURZILYGP-LLVKDONJSA-N -1 3 386.395 0.729 20 0 GCADHM CCn1nncc1C(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571267749 945577936 /nfs/dbraw/zinc/57/79/36/945577936.db2.gz DCMZPHURZILYGP-LLVKDONJSA-N -1 3 386.395 0.729 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC[C@H](NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267685 945577963 /nfs/dbraw/zinc/57/79/63/945577963.db2.gz BRAATAJBGMBJOB-UWVGGRQHSA-N -1 3 386.395 0.838 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571267789 945579443 /nfs/dbraw/zinc/57/94/43/945579443.db2.gz DYZUHOCPNWVPLI-NWDGAFQWSA-N -1 3 386.395 0.317 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571267789 945579460 /nfs/dbraw/zinc/57/94/60/945579460.db2.gz DYZUHOCPNWVPLI-NWDGAFQWSA-N -1 3 386.395 0.317 20 0 GCADHM O=C(c1cn[nH]c1)N1CCC[C@](CO)(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571267892 945581273 /nfs/dbraw/zinc/58/12/73/945581273.db2.gz HYIPPMOMXNNOTJ-KRWDZBQOSA-N -1 3 386.391 0.808 20 0 GCADHM O=C(c1cn[nH]c1)N1CCC[C@](CO)(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571267892 945581279 /nfs/dbraw/zinc/58/12/79/945581279.db2.gz HYIPPMOMXNNOTJ-KRWDZBQOSA-N -1 3 386.391 0.808 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571267929 945582917 /nfs/dbraw/zinc/58/29/17/945582917.db2.gz JIXSMLNDYYDNKQ-BXKDBHETSA-N -1 3 386.395 0.492 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571267929 945582926 /nfs/dbraw/zinc/58/29/26/945582926.db2.gz JIXSMLNDYYDNKQ-BXKDBHETSA-N -1 3 386.395 0.492 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)[C@@H]2C)nnn1C ZINC001571267944 945584321 /nfs/dbraw/zinc/58/43/21/945584321.db2.gz JOTIGDJDGVREDK-PELKAZGASA-N -1 3 386.395 0.235 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)[C@@H]2C)nnn1C ZINC001571267944 945584327 /nfs/dbraw/zinc/58/43/27/945584327.db2.gz JOTIGDJDGVREDK-PELKAZGASA-N -1 3 386.395 0.235 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)[C@H]2C)nnn1C ZINC001571268053 945585557 /nfs/dbraw/zinc/58/55/57/945585557.db2.gz MERJXODKHOUUQE-PRHODGIISA-N -1 3 386.395 0.553 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)[C@H]2C)nnn1C ZINC001571268053 945585565 /nfs/dbraw/zinc/58/55/65/945585565.db2.gz MERJXODKHOUUQE-PRHODGIISA-N -1 3 386.395 0.553 20 0 GCADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC000820920261 945588669 /nfs/dbraw/zinc/58/86/69/945588669.db2.gz OCWSLEUDFIKXOB-WFASDCNBSA-N -1 3 387.444 0.864 20 0 GCADHM CC[C@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC000820920261 945588675 /nfs/dbraw/zinc/58/86/75/945588675.db2.gz OCWSLEUDFIKXOB-WFASDCNBSA-N -1 3 387.444 0.864 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CCOCC2)O1 ZINC001571268258 945591375 /nfs/dbraw/zinc/59/13/75/945591375.db2.gz PROQZADVLZMAPF-UONOGXRCSA-N -1 3 386.412 0.022 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CCOCC2)O1 ZINC001571268258 945591383 /nfs/dbraw/zinc/59/13/83/945591383.db2.gz PROQZADVLZMAPF-UONOGXRCSA-N -1 3 386.412 0.022 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001571268296 945592207 /nfs/dbraw/zinc/59/22/07/945592207.db2.gz QWQVLXPUYAICFH-JSGCOSHPSA-N -1 3 386.391 0.027 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001571268296 945592212 /nfs/dbraw/zinc/59/22/12/945592212.db2.gz QWQVLXPUYAICFH-JSGCOSHPSA-N -1 3 386.391 0.027 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571268923 945608333 /nfs/dbraw/zinc/60/83/33/945608333.db2.gz ZPYLDPHIHGUYSX-MWLCHTKSSA-N -1 3 386.395 0.350 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571268923 945608340 /nfs/dbraw/zinc/60/83/40/945608340.db2.gz ZPYLDPHIHGUYSX-MWLCHTKSSA-N -1 3 386.395 0.350 20 0 GCADHM CCS(=O)(=O)c1ccccc1CC(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001571269008 945610012 /nfs/dbraw/zinc/61/00/12/945610012.db2.gz MHUFXACLFVZPTF-UHFFFAOYSA-N -1 3 386.437 0.914 20 0 GCADHM CCS(=O)(=O)c1ccccc1CC(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001571269008 945610017 /nfs/dbraw/zinc/61/00/17/945610017.db2.gz MHUFXACLFVZPTF-UHFFFAOYSA-N -1 3 386.437 0.914 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O)[C@]12C[C@H]1CCC2 ZINC001571269491 945620818 /nfs/dbraw/zinc/62/08/18/945620818.db2.gz ZPSKSLMPTJQIDU-BGIGGGFGSA-N -1 3 386.431 0.857 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O)[C@]12C[C@H]1CCC2 ZINC001571269491 945620824 /nfs/dbraw/zinc/62/08/24/945620824.db2.gz ZPSKSLMPTJQIDU-BGIGGGFGSA-N -1 3 386.431 0.857 20 0 GCADHM O=C(c1csnn1)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571269469 945621861 /nfs/dbraw/zinc/62/18/61/945621861.db2.gz ZIQZCZYLZPCCHG-RYUDHWBXSA-N -1 3 386.416 0.956 20 0 GCADHM O=C(c1csnn1)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571269469 945621865 /nfs/dbraw/zinc/62/18/65/945621865.db2.gz ZIQZCZYLZPCCHG-RYUDHWBXSA-N -1 3 386.416 0.956 20 0 GCADHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC001571269873 945624866 /nfs/dbraw/zinc/62/48/66/945624866.db2.gz FWWSNWURAKYJCU-KRWDZBQOSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N[C@](C)(C(N)=O)c1ccccc1 ZINC001571269873 945624876 /nfs/dbraw/zinc/62/48/76/945624876.db2.gz FWWSNWURAKYJCU-KRWDZBQOSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC001571269874 945625075 /nfs/dbraw/zinc/62/50/75/945625075.db2.gz FWWSNWURAKYJCU-QGZVFWFLSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC001571269874 945625078 /nfs/dbraw/zinc/62/50/78/945625078.db2.gz FWWSNWURAKYJCU-QGZVFWFLSA-N -1 3 386.437 0.854 20 0 GCADHM COc1cnc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)nc1 ZINC001571269838 945625294 /nfs/dbraw/zinc/62/52/94/945625294.db2.gz DTRXHSIVXYVHFG-JTQLQIEISA-N -1 3 386.441 0.731 20 0 GCADHM COc1cnc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[n-]n4)s3)C2)nc1 ZINC001571269838 945625298 /nfs/dbraw/zinc/62/52/98/945625298.db2.gz DTRXHSIVXYVHFG-JTQLQIEISA-N -1 3 386.441 0.731 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2nccs2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571269809 945626007 /nfs/dbraw/zinc/62/60/07/945626007.db2.gz CXQWKQQDYRTZAV-KOLCDFICSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2nccs2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571269809 945626010 /nfs/dbraw/zinc/62/60/10/945626010.db2.gz CXQWKQQDYRTZAV-KOLCDFICSA-N -1 3 386.441 0.980 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H](NC(=O)c2csnn2)C1 ZINC001571269889 945627627 /nfs/dbraw/zinc/62/76/27/945627627.db2.gz GVQQDMIYNPAOLG-LBPRGKRZSA-N -1 3 386.441 0.731 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)s1 ZINC001571269968 945629212 /nfs/dbraw/zinc/62/92/12/945629212.db2.gz JEJBZENWSGZZME-KCJUWKMLSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)s1 ZINC001571269968 945629215 /nfs/dbraw/zinc/62/92/15/945629215.db2.gz JEJBZENWSGZZME-KCJUWKMLSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncsc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571270025 945629274 /nfs/dbraw/zinc/62/92/74/945629274.db2.gz KVJXNZRFOLQHEG-ONGXEEELSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncsc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571270025 945629275 /nfs/dbraw/zinc/62/92/75/945629275.db2.gz KVJXNZRFOLQHEG-ONGXEEELSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncsc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571270022 945629418 /nfs/dbraw/zinc/62/94/18/945629418.db2.gz KVJXNZRFOLQHEG-GXSJLCMTSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncsc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571270022 945629421 /nfs/dbraw/zinc/62/94/21/945629421.db2.gz KVJXNZRFOLQHEG-GXSJLCMTSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1nsc(N2CC[C@@H](NC(=O)c3ccc(=O)n(C)c3)C2)c1-c1nnn[n-]1 ZINC001571270248 945632860 /nfs/dbraw/zinc/63/28/60/945632860.db2.gz OCPIBADQJYHMOS-LLVKDONJSA-N -1 3 386.441 0.339 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)Cn3ccccc3=O)C2)c1-c1nnn[n-]1 ZINC001571270252 945633061 /nfs/dbraw/zinc/63/30/61/945633061.db2.gz OFSFLDSCNOPWRX-LLVKDONJSA-N -1 3 386.441 0.506 20 0 GCADHM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2nnc[nH]2)c1-c1nnn[n-]1 ZINC001571270293 945633460 /nfs/dbraw/zinc/63/34/60/945633460.db2.gz PIKAQZVNTQKWAM-AOOOYVTPSA-N -1 3 386.445 0.172 20 0 GCADHM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2nnc[nH]2)c1-c1nn[n-]n1 ZINC001571270293 945633468 /nfs/dbraw/zinc/63/34/68/945633468.db2.gz PIKAQZVNTQKWAM-AOOOYVTPSA-N -1 3 386.445 0.172 20 0 GCADHM Cn1nc(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)ccc1=O ZINC001571270545 945636387 /nfs/dbraw/zinc/63/63/87/945636387.db2.gz UQTLMWSHEBFVSN-SNVBAGLBSA-N -1 3 386.441 0.026 20 0 GCADHM Cn1nc(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)ccc1=O ZINC001571270545 945636391 /nfs/dbraw/zinc/63/63/91/945636391.db2.gz UQTLMWSHEBFVSN-SNVBAGLBSA-N -1 3 386.441 0.026 20 0 GCADHM COCc1ncsc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571270537 945637468 /nfs/dbraw/zinc/63/74/68/945637468.db2.gz UPLGAOQFQRMGNR-JTQLQIEISA-N -1 3 386.441 0.873 20 0 GCADHM COCc1ncsc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571270537 945637476 /nfs/dbraw/zinc/63/74/76/945637476.db2.gz UPLGAOQFQRMGNR-JTQLQIEISA-N -1 3 386.441 0.873 20 0 GCADHM O=C(c1ccsn1)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571270613 945638998 /nfs/dbraw/zinc/63/89/98/945638998.db2.gz WTGFBHHIUPBKFD-INIZCTEOSA-N -1 3 386.441 0.797 20 0 GCADHM O=C(c1ccsn1)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571270613 945639005 /nfs/dbraw/zinc/63/90/05/945639005.db2.gz WTGFBHHIUPBKFD-INIZCTEOSA-N -1 3 386.441 0.797 20 0 GCADHM O=C(Cc1cncs1)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571270694 945640495 /nfs/dbraw/zinc/64/04/95/945640495.db2.gz YWZUDQSODVVZMG-STQMWFEESA-N -1 3 386.441 0.017 20 0 GCADHM O=C(Cc1cncs1)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571270694 945640500 /nfs/dbraw/zinc/64/05/00/945640500.db2.gz YWZUDQSODVVZMG-STQMWFEESA-N -1 3 386.441 0.017 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3cncs3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571270652 945640618 /nfs/dbraw/zinc/64/06/18/945640618.db2.gz XTTVPSWFTVIKPT-RYUDHWBXSA-N -1 3 386.441 0.396 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3cncs3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571270652 945640623 /nfs/dbraw/zinc/64/06/23/945640623.db2.gz XTTVPSWFTVIKPT-RYUDHWBXSA-N -1 3 386.441 0.396 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCOC2(CN(Cc3cscn3)C2)C1 ZINC001571270699 945640632 /nfs/dbraw/zinc/64/06/32/945640632.db2.gz ZCZDYTDQKLNZKW-UHFFFAOYSA-N -1 3 386.441 0.378 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCOC2(CN(Cc3cscn3)C2)C1 ZINC001571270699 945640635 /nfs/dbraw/zinc/64/06/35/945640635.db2.gz ZCZDYTDQKLNZKW-UHFFFAOYSA-N -1 3 386.441 0.378 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cscn2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571270681 945641408 /nfs/dbraw/zinc/64/14/08/945641408.db2.gz YRNCTMXDDVVCFC-GXSJLCMTSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cscn2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571270681 945641416 /nfs/dbraw/zinc/64/14/16/945641416.db2.gz YRNCTMXDDVVCFC-GXSJLCMTSA-N -1 3 386.441 0.980 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3ccsn3)[C@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571270720 945642765 /nfs/dbraw/zinc/64/27/65/945642765.db2.gz ZRFHZKJRXWNWMJ-DGCLKSJQSA-N -1 3 386.441 0.396 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3ccsn3)[C@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571270720 945642768 /nfs/dbraw/zinc/64/27/68/945642768.db2.gz ZRFHZKJRXWNWMJ-DGCLKSJQSA-N -1 3 386.441 0.396 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@@H]2O)s1 ZINC001571270727 945642814 /nfs/dbraw/zinc/64/28/14/945642814.db2.gz ZUEITVSLIRKELO-NEPJUHHUSA-N -1 3 386.441 0.315 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@@H]2O)s1 ZINC001571270727 945642817 /nfs/dbraw/zinc/64/28/17/945642817.db2.gz ZUEITVSLIRKELO-NEPJUHHUSA-N -1 3 386.441 0.315 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)[C@@H]3CN(C)CCO3)C2)ccc1-c1nn[n-]n1 ZINC001571272597 945665279 /nfs/dbraw/zinc/66/52/79/945665279.db2.gz FVDGFGHWWUABNK-PIMMBPRGSA-N -1 3 386.460 0.207 20 0 GCADHM CCOC(=O)C1(O)CCN([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000821320995 945670029 /nfs/dbraw/zinc/67/00/29/945670029.db2.gz SKLSVYCTWOAHJN-GFCCVEGCSA-N -1 3 388.428 0.584 20 0 GCADHM CCOC(=O)C1(O)CCN([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000821320995 945670036 /nfs/dbraw/zinc/67/00/36/945670036.db2.gz SKLSVYCTWOAHJN-GFCCVEGCSA-N -1 3 388.428 0.584 20 0 GCADHM CCOC(=O)[C@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCO1 ZINC000821326239 945670161 /nfs/dbraw/zinc/67/01/61/945670161.db2.gz VSDTTYBNZLTNFJ-CYBMUJFWSA-N -1 3 385.384 0.681 20 0 GCADHM CCOC(=O)[C@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCO1 ZINC000821326239 945670165 /nfs/dbraw/zinc/67/01/65/945670165.db2.gz VSDTTYBNZLTNFJ-CYBMUJFWSA-N -1 3 385.384 0.681 20 0 GCADHM CO[C@@H](C)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001571273311 945683886 /nfs/dbraw/zinc/68/38/86/945683886.db2.gz VGJKYUZKASCHLR-ZFWWWQNUSA-N -1 3 386.460 0.020 20 0 GCADHM CO[C@@H](C)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001571273311 945683894 /nfs/dbraw/zinc/68/38/94/945683894.db2.gz VGJKYUZKASCHLR-ZFWWWQNUSA-N -1 3 386.460 0.020 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571273346 945685287 /nfs/dbraw/zinc/68/52/87/945685287.db2.gz VWCTWQHKAROSLM-RRFJBIMHSA-N -1 3 386.460 0.066 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571273346 945685293 /nfs/dbraw/zinc/68/52/93/945685293.db2.gz VWCTWQHKAROSLM-RRFJBIMHSA-N -1 3 386.460 0.066 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCO[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571274103 945693345 /nfs/dbraw/zinc/69/33/45/945693345.db2.gz AZWNUJKWTIZAFK-JTQLQIEISA-N -1 3 387.379 0.385 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCO[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571274103 945693350 /nfs/dbraw/zinc/69/33/50/945693350.db2.gz AZWNUJKWTIZAFK-JTQLQIEISA-N -1 3 387.379 0.385 20 0 GCADHM C[C@H](NC(=O)c1cnon1)[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571274396 945696543 /nfs/dbraw/zinc/69/65/43/945696543.db2.gz GKAMLXHHDMCQQQ-VHSXEESVSA-N -1 3 387.379 0.819 20 0 GCADHM C[C@H](NC(=O)c1cnon1)[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571274396 945696548 /nfs/dbraw/zinc/69/65/48/945696548.db2.gz GKAMLXHHDMCQQQ-VHSXEESVSA-N -1 3 387.379 0.819 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001571274702 945699529 /nfs/dbraw/zinc/69/95/29/945699529.db2.gz KDKRSUHMGVMJAI-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001571274702 945699536 /nfs/dbraw/zinc/69/95/36/945699536.db2.gz KDKRSUHMGVMJAI-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571274837 945700213 /nfs/dbraw/zinc/70/02/13/945700213.db2.gz LTDBBSHMOQKQQE-KCJUWKMLSA-N -1 3 387.379 0.413 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571274837 945700218 /nfs/dbraw/zinc/70/02/18/945700218.db2.gz LTDBBSHMOQKQQE-KCJUWKMLSA-N -1 3 387.379 0.413 20 0 GCADHM CN(CC1CCN(C(=O)c2cnon2)CC1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571275116 945702525 /nfs/dbraw/zinc/70/25/25/945702525.db2.gz PRFKLGICSQGPSR-UHFFFAOYSA-N -1 3 387.379 0.772 20 0 GCADHM CN(CC1CCN(C(=O)c2cnon2)CC1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571275116 945702526 /nfs/dbraw/zinc/70/25/26/945702526.db2.gz PRFKLGICSQGPSR-UHFFFAOYSA-N -1 3 387.379 0.772 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2n[nH]cc2F)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571275084 945702547 /nfs/dbraw/zinc/70/25/47/945702547.db2.gz ORVYNFZADCFHTD-PSASIEDQSA-N -1 3 387.379 0.480 20 0 GCADHM CN(C(=O)c1cn(C)c(=O)[nH]1)C1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571275148 945705041 /nfs/dbraw/zinc/70/50/41/945705041.db2.gz QRYKCEGNTDYMCN-UHFFFAOYSA-N -1 3 387.379 0.555 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)o1 ZINC001571275477 945706382 /nfs/dbraw/zinc/70/63/82/945706382.db2.gz UVACXBPNFLBHKF-KGLIPLIRSA-N -1 3 387.375 0.211 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)o1 ZINC001571275477 945706391 /nfs/dbraw/zinc/70/63/91/945706391.db2.gz UVACXBPNFLBHKF-KGLIPLIRSA-N -1 3 387.375 0.211 20 0 GCADHM O=C(NC[C@H]1CN(c2cnc(F)cn2)CCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571275427 945707061 /nfs/dbraw/zinc/70/70/61/945707061.db2.gz UAJFHWTTZZUIAC-JTQLQIEISA-N -1 3 387.379 0.149 20 0 GCADHM O=C(NC[C@H]1CN(c2cnc(F)cn2)CCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571275427 945707063 /nfs/dbraw/zinc/70/70/63/945707063.db2.gz UAJFHWTTZZUIAC-JTQLQIEISA-N -1 3 387.379 0.149 20 0 GCADHM Cc1ocnc1C(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001571275479 945707435 /nfs/dbraw/zinc/70/74/35/945707435.db2.gz UWEMQJILXPIUCO-LLVKDONJSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1ocnc1C(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001571275479 945707442 /nfs/dbraw/zinc/70/74/42/945707442.db2.gz UWEMQJILXPIUCO-LLVKDONJSA-N -1 3 387.375 0.937 20 0 GCADHM CC(C)(CC(N)=O)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001571275499 945707503 /nfs/dbraw/zinc/70/75/03/945707503.db2.gz UZTHXAOWXBSORN-UHFFFAOYSA-N -1 3 387.379 0.967 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1cccc(F)c1F ZINC001571275585 945709140 /nfs/dbraw/zinc/70/91/40/945709140.db2.gz XXPRBWILXFTDCV-KGLIPLIRSA-N -1 3 387.350 0.519 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1cccc(F)c1F ZINC001571275585 945709145 /nfs/dbraw/zinc/70/91/45/945709145.db2.gz XXPRBWILXFTDCV-KGLIPLIRSA-N -1 3 387.350 0.519 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1cc(F)ccc1-c1nnn[n-]1)c1ccon1 ZINC001571275635 945711805 /nfs/dbraw/zinc/71/18/05/945711805.db2.gz ZUNWDDVSRXMJFH-CYBMUJFWSA-N -1 3 387.375 0.625 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1cc(F)ccc1-c1nn[n-]n1)c1ccon1 ZINC001571275635 945711810 /nfs/dbraw/zinc/71/18/10/945711810.db2.gz ZUNWDDVSRXMJFH-CYBMUJFWSA-N -1 3 387.375 0.625 20 0 GCADHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821569418 945718585 /nfs/dbraw/zinc/71/85/85/945718585.db2.gz JQMUQEOMJPKDAI-BQYQJAHWSA-N -1 3 390.469 0.762 20 0 GCADHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCN(S(C)(=O)=O)CC1 ZINC000821569418 945718597 /nfs/dbraw/zinc/71/85/97/945718597.db2.gz JQMUQEOMJPKDAI-BQYQJAHWSA-N -1 3 390.469 0.762 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571275992 945719934 /nfs/dbraw/zinc/71/99/34/945719934.db2.gz BKALYCQHCGTBHV-NWDGAFQWSA-N -1 3 387.419 0.760 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571275992 945719943 /nfs/dbraw/zinc/71/99/43/945719943.db2.gz BKALYCQHCGTBHV-NWDGAFQWSA-N -1 3 387.419 0.760 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571276075 945723723 /nfs/dbraw/zinc/72/37/23/945723723.db2.gz GVWJSAPPKLSXTA-GJZGRUSLSA-N -1 3 386.460 0.020 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571276075 945723731 /nfs/dbraw/zinc/72/37/31/945723731.db2.gz GVWJSAPPKLSXTA-GJZGRUSLSA-N -1 3 386.460 0.020 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)Cc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821588472 945727286 /nfs/dbraw/zinc/72/72/86/945727286.db2.gz UVLZFZLCOGLRRL-UHFFFAOYSA-N -1 3 391.409 0.996 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)Cc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821588472 945727294 /nfs/dbraw/zinc/72/72/94/945727294.db2.gz UVLZFZLCOGLRRL-UHFFFAOYSA-N -1 3 391.409 0.996 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001571276217 945728333 /nfs/dbraw/zinc/72/83/33/945728333.db2.gz FOMKQGBJKDKVHI-ZDUSSCGKSA-N -1 3 387.419 0.176 20 0 GCADHM O=C([C@H]1CCNC(=O)C1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001571276217 945728342 /nfs/dbraw/zinc/72/83/42/945728342.db2.gz FOMKQGBJKDKVHI-ZDUSSCGKSA-N -1 3 387.419 0.176 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)C2(F)CCOCC2)n1 ZINC001571276223 945728558 /nfs/dbraw/zinc/72/85/58/945728558.db2.gz FQCXGIDZDFMGCK-STQMWFEESA-N -1 3 387.419 0.878 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)C2(F)CCOCC2)n1 ZINC001571276223 945728567 /nfs/dbraw/zinc/72/85/67/945728567.db2.gz FQCXGIDZDFMGCK-STQMWFEESA-N -1 3 387.419 0.878 20 0 GCADHM CN1C[C@@H](C(=O)N[C@H]2CCCN(c3cccc(F)c3-c3nnn[n-]3)C2)CC1=O ZINC001571276340 945730393 /nfs/dbraw/zinc/73/03/93/945730393.db2.gz HTONXVKFVRBHTJ-RYUDHWBXSA-N -1 3 387.419 0.569 20 0 GCADHM CN1C[C@@H](C(=O)N[C@H]2CCCN(c3cccc(F)c3-c3nn[n-]n3)C2)CC1=O ZINC001571276340 945730404 /nfs/dbraw/zinc/73/04/04/945730404.db2.gz HTONXVKFVRBHTJ-RYUDHWBXSA-N -1 3 387.419 0.569 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)C2=COCCO2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571276302 945730572 /nfs/dbraw/zinc/73/05/72/945730572.db2.gz HCYSPRJCLUKFCC-CMPLNLGQSA-N -1 3 387.400 0.098 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)C2=COCCO2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571276302 945730578 /nfs/dbraw/zinc/73/05/78/945730578.db2.gz HCYSPRJCLUKFCC-CMPLNLGQSA-N -1 3 387.400 0.098 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@@H]1CCNC(=O)C1 ZINC001571276608 945731846 /nfs/dbraw/zinc/73/18/46/945731846.db2.gz 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/nfs/dbraw/zinc/77/17/77/945771777.db2.gz LBAAMVFNBCRPQM-BPGGGUHBSA-N -1 3 387.444 0.444 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571279210 945771783 /nfs/dbraw/zinc/77/17/83/945771783.db2.gz LBAAMVFNBCRPQM-BPGGGUHBSA-N -1 3 387.444 0.444 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571279222 945772977 /nfs/dbraw/zinc/77/29/77/945772977.db2.gz LNUJLLIJGSPHBN-INWMFGNUSA-N -1 3 387.444 0.398 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571279222 945772983 /nfs/dbraw/zinc/77/29/83/945772983.db2.gz LNUJLLIJGSPHBN-INWMFGNUSA-N -1 3 387.444 0.398 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(C(=O)C2CCC(O)CC2)C1 ZINC001571279293 945773261 /nfs/dbraw/zinc/77/32/61/945773261.db2.gz NKMZRVVBFFYUOW-XSRFYTQQSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(C(=O)C2CCC(O)CC2)C1 ZINC001571279293 945773262 /nfs/dbraw/zinc/77/32/62/945773262.db2.gz NKMZRVVBFFYUOW-XSRFYTQQSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H]1CO[C@@H](C(=O)N(C)C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001571279288 945773275 /nfs/dbraw/zinc/77/32/75/945773275.db2.gz NGMZRSRZLHARII-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1CO[C@@H](C(=O)N(C)C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001571279288 945773279 /nfs/dbraw/zinc/77/32/79/945773279.db2.gz NGMZRSRZLHARII-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 ZINC001571279239 945773292 /nfs/dbraw/zinc/77/32/92/945773292.db2.gz LVALQYWCHRNBNS-GXTWGEPZSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(C(=O)[C@H]2CCCOCC2)C1 ZINC001571279239 945773300 /nfs/dbraw/zinc/77/33/00/945773300.db2.gz LVALQYWCHRNBNS-GXTWGEPZSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)c1csnn1)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571279282 945773408 /nfs/dbraw/zinc/77/34/08/945773408.db2.gz NDICLEIOICVEDW-UHFFFAOYSA-N -1 3 387.429 0.423 20 0 GCADHM CN(C(=O)c1csnn1)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571279282 945773411 /nfs/dbraw/zinc/77/34/11/945773411.db2.gz NDICLEIOICVEDW-UHFFFAOYSA-N -1 3 387.429 0.423 20 0 GCADHM CO[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCCC1 ZINC001571279233 945773596 /nfs/dbraw/zinc/77/35/96/945773596.db2.gz LTIGMKBVDPWHRB-ZFWWWQNUSA-N -1 3 387.444 0.731 20 0 GCADHM CO[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCCC1 ZINC001571279233 945773600 /nfs/dbraw/zinc/77/36/00/945773600.db2.gz LTIGMKBVDPWHRB-ZFWWWQNUSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)c1cccs1 ZINC001571279278 945773626 /nfs/dbraw/zinc/77/36/26/945773626.db2.gz MWDCVTZHFPINBJ-SKDRFNHKSA-N -1 3 387.425 0.262 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)c1cccs1 ZINC001571279278 945773632 /nfs/dbraw/zinc/77/36/32/945773632.db2.gz MWDCVTZHFPINBJ-SKDRFNHKSA-N -1 3 387.425 0.262 20 0 GCADHM O=C(CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)Nc1nccs1 ZINC001571279268 945773895 /nfs/dbraw/zinc/77/38/95/945773895.db2.gz MOLWZIBDGURSCA-UHFFFAOYSA-N -1 3 387.429 0.048 20 0 GCADHM O=C(CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)Nc1nccs1 ZINC001571279268 945773909 /nfs/dbraw/zinc/77/39/09/945773909.db2.gz MOLWZIBDGURSCA-UHFFFAOYSA-N -1 3 387.429 0.048 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571279371 945775438 /nfs/dbraw/zinc/77/54/38/945775438.db2.gz VWHHTRKLRKEKKZ-GDBMZVCRSA-N -1 3 386.460 0.385 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571279371 945775441 /nfs/dbraw/zinc/77/54/41/945775441.db2.gz VWHHTRKLRKEKKZ-GDBMZVCRSA-N -1 3 386.460 0.385 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821652056 945777208 /nfs/dbraw/zinc/77/72/08/945777208.db2.gz LOACAWXPYISOMH-MRXNPFEDSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821652056 945777215 /nfs/dbraw/zinc/77/72/15/945777215.db2.gz LOACAWXPYISOMH-MRXNPFEDSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1cnn2cccnc12)c1cccc(-c2nnn[n-]2)c1 ZINC000821650807 945777496 /nfs/dbraw/zinc/77/74/96/945777496.db2.gz ZDKCLZWEMCTLKX-ZDUSSCGKSA-N -1 3 379.336 0.981 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1cnn2cccnc12)c1cccc(-c2nn[n-]n2)c1 ZINC000821650807 945777499 /nfs/dbraw/zinc/77/74/99/945777499.db2.gz ZDKCLZWEMCTLKX-ZDUSSCGKSA-N -1 3 379.336 0.981 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)CCCCC1 ZINC001571279412 945777728 /nfs/dbraw/zinc/77/77/28/945777728.db2.gz NYDRHKVWNUAOKW-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)CCCCC1 ZINC001571279412 945777733 /nfs/dbraw/zinc/77/77/33/945777733.db2.gz NYDRHKVWNUAOKW-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571279418 945778047 /nfs/dbraw/zinc/77/80/47/945778047.db2.gz OENSOANNIFIVSS-BXKDBHETSA-N -1 3 387.425 0.262 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571279418 945778052 /nfs/dbraw/zinc/77/80/52/945778052.db2.gz OENSOANNIFIVSS-BXKDBHETSA-N -1 3 387.425 0.262 20 0 GCADHM C[C@]1(C(=O)N2CCC(O)(CNc3ccc(-c4nnn[n-]4)cn3)CC2)CCOC1 ZINC001571279564 945782142 /nfs/dbraw/zinc/78/21/42/945782142.db2.gz SEDRBWLKMTTXIT-KRWDZBQOSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@]1(C(=O)N2CCC(O)(CNc3ccc(-c4nn[n-]n4)cn3)CC2)CCOC1 ZINC001571279564 945782145 /nfs/dbraw/zinc/78/21/45/945782145.db2.gz SEDRBWLKMTTXIT-KRWDZBQOSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CN(C(=O)C2CCOCC2)CCO1 ZINC001571279718 945786213 /nfs/dbraw/zinc/78/62/13/945786213.db2.gz UAQSVJXJEFFGCN-WBMJQRKESA-N -1 3 387.444 0.716 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CN(C(=O)C2CCOCC2)CCO1 ZINC001571279718 945786216 /nfs/dbraw/zinc/78/62/16/945786216.db2.gz UAQSVJXJEFFGCN-WBMJQRKESA-N -1 3 387.444 0.716 20 0 GCADHM COC(=O)NCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821665136 945786708 /nfs/dbraw/zinc/78/67/08/945786708.db2.gz XFEALPZQGJWNOD-UHFFFAOYSA-N -1 3 375.389 0.122 20 0 GCADHM COC(=O)NCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821665136 945786712 /nfs/dbraw/zinc/78/67/12/945786712.db2.gz XFEALPZQGJWNOD-UHFFFAOYSA-N -1 3 375.389 0.122 20 0 GCADHM COc1ccc(CN2CCO[C@H](CNC(=O)[C@@H]3C[C@H]3C)C2)cc1-c1nnn[n-]1 ZINC001571279695 945786925 /nfs/dbraw/zinc/78/69/25/945786925.db2.gz YAVLSBVOKBLLRU-BPLDGKMQSA-N -1 3 386.456 0.848 20 0 GCADHM COc1ccc(CN2CCO[C@H](CNC(=O)[C@@H]3C[C@H]3C)C2)cc1-c1nn[n-]n1 ZINC001571279695 945786931 /nfs/dbraw/zinc/78/69/31/945786931.db2.gz YAVLSBVOKBLLRU-BPLDGKMQSA-N -1 3 386.456 0.848 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@@H]1CCCO1 ZINC001571279758 945787080 /nfs/dbraw/zinc/78/70/80/945787080.db2.gz UVNXPINZTBWQHD-WFASDCNBSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@@H]1CCCO1 ZINC001571279758 945787086 /nfs/dbraw/zinc/78/70/86/945787086.db2.gz UVNXPINZTBWQHD-WFASDCNBSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC(NC(=O)C2(C)CCOCC2)C1 ZINC001571279808 945788521 /nfs/dbraw/zinc/78/85/21/945788521.db2.gz WOKUFEMXNXZXCN-UHFFFAOYSA-N -1 3 387.444 0.731 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC(NC(=O)C2(C)CCOCC2)C1 ZINC001571279808 945788528 /nfs/dbraw/zinc/78/85/28/945788528.db2.gz WOKUFEMXNXZXCN-UHFFFAOYSA-N -1 3 387.444 0.731 20 0 GCADHM CCOC1CC(C(=O)N2CC[C@H](N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571279815 945788665 /nfs/dbraw/zinc/78/86/65/945788665.db2.gz XAUCUEVIBLRUNA-QRMWWUJWSA-N -1 3 387.444 0.683 20 0 GCADHM CCOC1CC(C(=O)N2CC[C@H](N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571279815 945788671 /nfs/dbraw/zinc/78/86/71/945788671.db2.gz XAUCUEVIBLRUNA-QRMWWUJWSA-N -1 3 387.444 0.683 20 0 GCADHM COCC(=O)N1CCC([C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279781 945788702 /nfs/dbraw/zinc/78/87/02/945788702.db2.gz VNIYFEGJRLUVIK-OAHLLOKOSA-N -1 3 387.444 0.684 20 0 GCADHM COCC(=O)N1CCC([C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571279781 945788708 /nfs/dbraw/zinc/78/87/08/945788708.db2.gz VNIYFEGJRLUVIK-OAHLLOKOSA-N -1 3 387.444 0.684 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnns1 ZINC001571279852 945789312 /nfs/dbraw/zinc/78/93/12/945789312.db2.gz XYRZHUSWUDMCNB-DTWKUNHWSA-N -1 3 387.429 0.375 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnns1 ZINC001571279852 945789317 /nfs/dbraw/zinc/78/93/17/945789317.db2.gz XYRZHUSWUDMCNB-DTWKUNHWSA-N -1 3 387.429 0.375 20 0 GCADHM CC[C@@H]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)O1 ZINC001571279919 945790107 /nfs/dbraw/zinc/79/01/07/945790107.db2.gz ZJMKCTUTJFMQRY-ZAZJYDDPSA-N -1 3 387.444 0.777 20 0 GCADHM CC[C@@H]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)O1 ZINC001571279919 945790112 /nfs/dbraw/zinc/79/01/12/945790112.db2.gz ZJMKCTUTJFMQRY-ZAZJYDDPSA-N -1 3 387.444 0.777 20 0 GCADHM CC[C@H]1CC[C@H](C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)O1 ZINC001571279870 945790437 /nfs/dbraw/zinc/79/04/37/945790437.db2.gz YHNGPFLEJJESFF-DZGCQCFKSA-N -1 3 387.444 0.873 20 0 GCADHM CC[C@H]1CC[C@H](C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)O1 ZINC001571279870 945790444 /nfs/dbraw/zinc/79/04/44/945790444.db2.gz YHNGPFLEJJESFF-DZGCQCFKSA-N -1 3 387.444 0.873 20 0 GCADHM CO[C@@H]1CCC[C@@H]1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571279875 945790498 /nfs/dbraw/zinc/79/04/98/945790498.db2.gz YOKDPDRXLJHLRH-DZGCQCFKSA-N -1 3 387.444 0.684 20 0 GCADHM CO[C@@H]1CCC[C@@H]1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571279875 945790505 /nfs/dbraw/zinc/79/05/05/945790505.db2.gz YOKDPDRXLJHLRH-DZGCQCFKSA-N -1 3 387.444 0.684 20 0 GCADHM CC[C@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)O1 ZINC001571279918 945790861 /nfs/dbraw/zinc/79/08/61/945790861.db2.gz ZJMKCTUTJFMQRY-OZTPJHRESA-N -1 3 387.444 0.777 20 0 GCADHM CC[C@H]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)O1 ZINC001571279918 945790870 /nfs/dbraw/zinc/79/08/70/945790870.db2.gz ZJMKCTUTJFMQRY-OZTPJHRESA-N -1 3 387.444 0.777 20 0 GCADHM Cc1nsc(N[C@@H]2CCCN(C(=O)c3cn[nH]c(=O)c3)C2)c1-c1nnn[n-]1 ZINC001571279915 945791482 /nfs/dbraw/zinc/79/14/82/945791482.db2.gz ZICBXXLLCYAWOF-SNVBAGLBSA-N -1 3 387.429 0.844 20 0 GCADHM CCN1CCO[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571280012 945792402 /nfs/dbraw/zinc/79/24/02/945792402.db2.gz ZLIAHTZSTHGWIM-LSDHHAIUSA-N -1 3 386.460 0.020 20 0 GCADHM CCO[C@H]1C[C@H]1C(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571279949 945793264 /nfs/dbraw/zinc/79/32/64/945793264.db2.gz ZXQREQFJTKNFJN-HIFRSBDPSA-N -1 3 387.444 0.588 20 0 GCADHM CCO[C@H]1C[C@H]1C(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571279949 945793272 /nfs/dbraw/zinc/79/32/72/945793272.db2.gz ZXQREQFJTKNFJN-HIFRSBDPSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573447366 945798548 /nfs/dbraw/zinc/79/85/48/945798548.db2.gz XQMVVINSLRKWJT-OAHLLOKOSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573447366 945798557 /nfs/dbraw/zinc/79/85/57/945798557.db2.gz XQMVVINSLRKWJT-OAHLLOKOSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573448174 945804694 /nfs/dbraw/zinc/80/46/94/945804694.db2.gz GQSHWNXVQIMYEH-YRGRVCCFSA-N -1 3 388.407 0.471 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573448174 945804708 /nfs/dbraw/zinc/80/47/08/945804708.db2.gz GQSHWNXVQIMYEH-YRGRVCCFSA-N -1 3 388.407 0.471 20 0 GCADHM COC[C@@]1(C)CC(=O)N(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821683601 945807653 /nfs/dbraw/zinc/80/76/53/945807653.db2.gz FRGGCCXGZPXGOH-SFHVURJKSA-N -1 3 386.460 0.226 20 0 GCADHM COC[C@@]1(C)CC(=O)N(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821683601 945807662 /nfs/dbraw/zinc/80/76/62/945807662.db2.gz FRGGCCXGZPXGOH-SFHVURJKSA-N -1 3 386.460 0.226 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573448775 945808502 /nfs/dbraw/zinc/80/85/02/945808502.db2.gz MQSJUDZBOJLSNQ-XNRPHZJLSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573448775 945808506 /nfs/dbraw/zinc/80/85/06/945808506.db2.gz MQSJUDZBOJLSNQ-XNRPHZJLSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573449064 945812143 /nfs/dbraw/zinc/81/21/43/945812143.db2.gz QQVHVCFRUGCFRL-GRYCIOLGSA-N -1 3 390.473 0.702 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573449115 945817693 /nfs/dbraw/zinc/81/76/93/945817693.db2.gz TYMCCQFMUSYTPL-CZUORRHYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573449115 945817709 /nfs/dbraw/zinc/81/77/09/945817709.db2.gz TYMCCQFMUSYTPL-CZUORRHYSA-N -1 3 384.444 0.215 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1cnn(C)c1 ZINC000821690116 945817801 /nfs/dbraw/zinc/81/78/01/945817801.db2.gz ZLUQGTDURAZQQK-UHFFFAOYSA-N -1 3 384.400 0.214 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1cnn(C)c1 ZINC000821690116 945817818 /nfs/dbraw/zinc/81/78/18/945817818.db2.gz ZLUQGTDURAZQQK-UHFFFAOYSA-N -1 3 384.400 0.214 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N(C)[C@@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001571282060 945826224 /nfs/dbraw/zinc/82/62/24/945826224.db2.gz CRPHDUKOWPWNRH-HIFRSBDPSA-N -1 3 387.444 0.413 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)[C@@H]2CCCN(C(=O)[C@@H]3COCCO3)C2)n1 ZINC001571282060 945826239 /nfs/dbraw/zinc/82/62/39/945826239.db2.gz CRPHDUKOWPWNRH-HIFRSBDPSA-N -1 3 387.444 0.413 20 0 GCADHM CC(=O)N1CCc2c(sc(NC(=O)C[C@@H]3COC(=O)C3)c2-c2nnn[n-]2)C1 ZINC001573450725 945828215 /nfs/dbraw/zinc/82/82/15/945828215.db2.gz MGGHWLAPDKOHJF-VIFPVBQESA-N -1 3 390.425 0.725 20 0 GCADHM CC(=O)N1CCc2c(sc(NC(=O)C[C@@H]3COC(=O)C3)c2-c2nn[n-]n2)C1 ZINC001573450725 945828227 /nfs/dbraw/zinc/82/82/27/945828227.db2.gz MGGHWLAPDKOHJF-VIFPVBQESA-N -1 3 390.425 0.725 20 0 GCADHM O=C(C[C@@H]1CCCCO1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571282128 945830981 /nfs/dbraw/zinc/83/09/81/945830981.db2.gz DRJYRLGLACBOHW-ZDUSSCGKSA-N -1 3 387.444 0.829 20 0 GCADHM O=C(C[C@@H]1CCCCO1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571282128 945830998 /nfs/dbraw/zinc/83/09/98/945830998.db2.gz DRJYRLGLACBOHW-ZDUSSCGKSA-N -1 3 387.444 0.829 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)n1cccc1 ZINC001571282192 945831779 /nfs/dbraw/zinc/83/17/79/945831779.db2.gz TYVPCDDTSLATGT-IACUBPJLSA-N -1 3 387.469 0.652 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)n1cccc1 ZINC001571282192 945831799 /nfs/dbraw/zinc/83/17/99/945831799.db2.gz TYVPCDDTSLATGT-IACUBPJLSA-N -1 3 387.469 0.652 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282353 945837842 /nfs/dbraw/zinc/83/78/42/945837842.db2.gz IIHUNOGORJZFMZ-OCCSQVGLSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282353 945837858 /nfs/dbraw/zinc/83/78/58/945837858.db2.gz IIHUNOGORJZFMZ-OCCSQVGLSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(NC[C@H]1CCCCN1C(=O)[C@H]1CCCCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282496 945846835 /nfs/dbraw/zinc/84/68/35/945846835.db2.gz IUICATZGNOUHJR-UKRRQHHQSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(NC[C@H]1CCCCN1C(=O)[C@H]1CCCCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282496 945846848 /nfs/dbraw/zinc/84/68/48/945846848.db2.gz IUICATZGNOUHJR-UKRRQHHQSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573452374 945849418 /nfs/dbraw/zinc/84/94/18/945849418.db2.gz DGFLPAFJSITBNZ-KBXCAEBGSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573452374 945849428 /nfs/dbraw/zinc/84/94/28/945849428.db2.gz DGFLPAFJSITBNZ-KBXCAEBGSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573452662 945851562 /nfs/dbraw/zinc/85/15/62/945851562.db2.gz GUSRHRRZPGCHPR-INIZCTEOSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573452662 945851575 /nfs/dbraw/zinc/85/15/75/945851575.db2.gz GUSRHRRZPGCHPR-INIZCTEOSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573452671 945852625 /nfs/dbraw/zinc/85/26/25/945852625.db2.gz HBWAOXHCAOOMHX-GOSISDBHSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573452671 945852640 /nfs/dbraw/zinc/85/26/40/945852640.db2.gz HBWAOXHCAOOMHX-GOSISDBHSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573453160 945855620 /nfs/dbraw/zinc/85/56/20/945855620.db2.gz JBPQHKNKDNLCQN-KZULUSFZSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573453160 945855638 /nfs/dbraw/zinc/85/56/38/945855638.db2.gz JBPQHKNKDNLCQN-KZULUSFZSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573452893 945856051 /nfs/dbraw/zinc/85/60/51/945856051.db2.gz IUHRPCXWXWTIGL-KDOFPFPSSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573452893 945856063 /nfs/dbraw/zinc/85/60/63/945856063.db2.gz IUHRPCXWXWTIGL-KDOFPFPSSA-N -1 3 386.460 0.825 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571282687 945856972 /nfs/dbraw/zinc/85/69/72/945856972.db2.gz NRKRMLAGNOVPPP-QWHCGFSZSA-N -1 3 387.444 0.590 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571282687 945856987 /nfs/dbraw/zinc/85/69/87/945856987.db2.gz NRKRMLAGNOVPPP-QWHCGFSZSA-N -1 3 387.444 0.590 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571282843 945867126 /nfs/dbraw/zinc/86/71/26/945867126.db2.gz SQGVYWCUBNDCDD-UONOGXRCSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571282843 945867135 /nfs/dbraw/zinc/86/71/35/945867135.db2.gz SQGVYWCUBNDCDD-UONOGXRCSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571282959 945868394 /nfs/dbraw/zinc/86/83/94/945868394.db2.gz WRFRKXPWPOFLIR-SCLBCKFNSA-N -1 3 387.444 0.596 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571282959 945868405 /nfs/dbraw/zinc/86/84/05/945868405.db2.gz WRFRKXPWPOFLIR-SCLBCKFNSA-N -1 3 387.444 0.596 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)C[C@@H]3CCCO3)CCO2)ccc1-c1nnn[n-]1 ZINC001571283038 945872646 /nfs/dbraw/zinc/87/26/46/945872646.db2.gz YIMNFVCFAKHHHW-UONOGXRCSA-N -1 3 387.444 0.779 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)C[C@@H]3CCCO3)CCO2)ccc1-c1nn[n-]n1 ZINC001571283038 945872651 /nfs/dbraw/zinc/87/26/51/945872651.db2.gz YIMNFVCFAKHHHW-UONOGXRCSA-N -1 3 387.444 0.779 20 0 GCADHM CN(C(=O)c1nn(C)cc1Cl)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571283400 945882470 /nfs/dbraw/zinc/88/24/70/945882470.db2.gz FDCIZCLIVHZRFV-LLVKDONJSA-N -1 3 387.835 1.000 20 0 GCADHM CN(C(=O)c1nn(C)cc1Cl)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571283400 945882483 /nfs/dbraw/zinc/88/24/83/945882483.db2.gz FDCIZCLIVHZRFV-LLVKDONJSA-N -1 3 387.835 1.000 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001573455305 945882760 /nfs/dbraw/zinc/88/27/60/945882760.db2.gz CFVBMYMDCADMFK-OKILXGFUSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001573455305 945882777 /nfs/dbraw/zinc/88/27/77/945882777.db2.gz CFVBMYMDCADMFK-OKILXGFUSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573455834 945884406 /nfs/dbraw/zinc/88/44/06/945884406.db2.gz GYICGYNHAQQIKN-WCQYABFASA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573455834 945884415 /nfs/dbraw/zinc/88/44/15/945884415.db2.gz GYICGYNHAQQIKN-WCQYABFASA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573455657 945886268 /nfs/dbraw/zinc/88/62/68/945886268.db2.gz FYXKOZFAUIFUSN-UHFFFAOYSA-N -1 3 390.423 0.717 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573455657 945886278 /nfs/dbraw/zinc/88/62/78/945886278.db2.gz FYXKOZFAUIFUSN-UHFFFAOYSA-N -1 3 390.423 0.717 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CCN(C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001571283421 945887073 /nfs/dbraw/zinc/88/70/73/945887073.db2.gz FQESLXLFGDRRNI-IUODEOHRSA-N -1 3 387.513 0.913 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CCN(C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001571283421 945887079 /nfs/dbraw/zinc/88/70/79/945887079.db2.gz FQESLXLFGDRRNI-IUODEOHRSA-N -1 3 387.513 0.913 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573455850 945887456 /nfs/dbraw/zinc/88/74/56/945887456.db2.gz HIYQMWOZRPKNRX-UHFFFAOYSA-N -1 3 391.451 0.811 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573456308 945887535 /nfs/dbraw/zinc/88/75/35/945887535.db2.gz IPFVCFUMEARIGF-LLVKDONJSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573455868 945888200 /nfs/dbraw/zinc/88/82/00/945888200.db2.gz HRDAWFULZLVRAF-GOSISDBHSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573455868 945888217 /nfs/dbraw/zinc/88/82/17/945888217.db2.gz HRDAWFULZLVRAF-GOSISDBHSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573455869 945888553 /nfs/dbraw/zinc/88/85/53/945888553.db2.gz HRDAWFULZLVRAF-SFHVURJKSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573455869 945888562 /nfs/dbraw/zinc/88/85/62/945888562.db2.gz HRDAWFULZLVRAF-SFHVURJKSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573456081 945889185 /nfs/dbraw/zinc/88/91/85/945889185.db2.gz IMAVOUIKDAFZIE-WCQYABFASA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573456081 945889195 /nfs/dbraw/zinc/88/91/95/945889195.db2.gz IMAVOUIKDAFZIE-WCQYABFASA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573456593 945894362 /nfs/dbraw/zinc/89/43/62/945894362.db2.gz MPXTUIKTFRTBQR-DEYYWGMASA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573456593 945894374 /nfs/dbraw/zinc/89/43/74/945894374.db2.gz MPXTUIKTFRTBQR-DEYYWGMASA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573456764 945897002 /nfs/dbraw/zinc/89/70/02/945897002.db2.gz OJLFGLHGBZKQKR-LBPRGKRZSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573456764 945897010 /nfs/dbraw/zinc/89/70/10/945897010.db2.gz OJLFGLHGBZKQKR-LBPRGKRZSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573456808 945897391 /nfs/dbraw/zinc/89/73/91/945897391.db2.gz PHQSGBVVAFVXCK-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573456808 945897407 /nfs/dbraw/zinc/89/74/07/945897407.db2.gz PHQSGBVVAFVXCK-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573456908 945899186 /nfs/dbraw/zinc/89/91/86/945899186.db2.gz PWRRTWZFPCBNMY-ZDUSSCGKSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573456908 945899205 /nfs/dbraw/zinc/89/92/05/945899205.db2.gz PWRRTWZFPCBNMY-ZDUSSCGKSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573456852 945899761 /nfs/dbraw/zinc/89/97/61/945899761.db2.gz POVZDOUZFJQWMM-IYOUNJFTSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573456852 945899777 /nfs/dbraw/zinc/89/97/77/945899777.db2.gz POVZDOUZFJQWMM-IYOUNJFTSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573456964 945899799 /nfs/dbraw/zinc/89/97/99/945899799.db2.gz QSNWKYKUTKQJCE-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573456964 945899814 /nfs/dbraw/zinc/89/98/14/945899814.db2.gz QSNWKYKUTKQJCE-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573456963 945900310 /nfs/dbraw/zinc/90/03/10/945900310.db2.gz QSNWKYKUTKQJCE-CYBMUJFWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573456963 945900321 /nfs/dbraw/zinc/90/03/21/945900321.db2.gz QSNWKYKUTKQJCE-CYBMUJFWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)c1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573457011 945902021 /nfs/dbraw/zinc/90/20/21/945902021.db2.gz RUNGLKVUCTXJRY-GOSISDBHSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)c1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573457011 945902028 /nfs/dbraw/zinc/90/20/28/945902028.db2.gz RUNGLKVUCTXJRY-GOSISDBHSA-N -1 3 388.476 0.673 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)c1cn[nH]c(=O)c1 ZINC001571284436 945902658 /nfs/dbraw/zinc/90/26/58/945902658.db2.gz QLMZBLMHHOVFCO-SNVBAGLBSA-N -1 3 387.791 0.419 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)c1cn[nH]c(=O)c1 ZINC001571284436 945902665 /nfs/dbraw/zinc/90/26/65/945902665.db2.gz QLMZBLMHHOVFCO-SNVBAGLBSA-N -1 3 387.791 0.419 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccc(Cl)o3)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571284698 945904252 /nfs/dbraw/zinc/90/42/52/945904252.db2.gz UDVXAYXJPBKNEX-WOFXILAISA-N -1 3 387.787 0.942 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3ccc(Cl)o3)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571284698 945904259 /nfs/dbraw/zinc/90/42/59/945904259.db2.gz UDVXAYXJPBKNEX-WOFXILAISA-N -1 3 387.787 0.942 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573457257 945905957 /nfs/dbraw/zinc/90/59/57/945905957.db2.gz VABLKMDCGMHZSY-QMMMGPOBSA-N -1 3 380.478 0.805 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573457750 945908058 /nfs/dbraw/zinc/90/80/58/945908058.db2.gz ZPRVNIPXSGAQAG-UHFFFAOYSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573457750 945908060 /nfs/dbraw/zinc/90/80/60/945908060.db2.gz ZPRVNIPXSGAQAG-UHFFFAOYSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573458831 945908317 /nfs/dbraw/zinc/90/83/17/945908317.db2.gz ACBZTSMWXQFAJS-UHFFFAOYSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573458831 945908322 /nfs/dbraw/zinc/90/83/22/945908322.db2.gz ACBZTSMWXQFAJS-UHFFFAOYSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573458842 945909588 /nfs/dbraw/zinc/90/95/88/945909588.db2.gz AGRNYTZUGDVTMB-LLVKDONJSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573458842 945909596 /nfs/dbraw/zinc/90/95/96/945909596.db2.gz AGRNYTZUGDVTMB-LLVKDONJSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573459254 945911873 /nfs/dbraw/zinc/91/18/73/945911873.db2.gz DFCXCYHQCUTSAQ-NXEZZACHSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573459254 945911878 /nfs/dbraw/zinc/91/18/78/945911878.db2.gz DFCXCYHQCUTSAQ-NXEZZACHSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573460153 945914833 /nfs/dbraw/zinc/91/48/33/945914833.db2.gz JZYDSMUTISJLNK-BDAKNGLRSA-N -1 3 378.412 0.621 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573460153 945914841 /nfs/dbraw/zinc/91/48/41/945914841.db2.gz JZYDSMUTISJLNK-BDAKNGLRSA-N -1 3 378.412 0.621 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573460650 945916996 /nfs/dbraw/zinc/91/69/96/945916996.db2.gz LIUATEMNHDLJNF-BXUZGUMPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573460650 945917000 /nfs/dbraw/zinc/91/70/00/945917000.db2.gz LIUATEMNHDLJNF-BXUZGUMPSA-N -1 3 386.460 0.825 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1)[C@@H]1COCCO1 ZINC001571285489 945917307 /nfs/dbraw/zinc/91/73/07/945917307.db2.gz GEHHUOZNIJSPDT-HTUGSXCWSA-N -1 3 388.403 0.647 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1)[C@@H]1COCCO1 ZINC001571285489 945917316 /nfs/dbraw/zinc/91/73/16/945917316.db2.gz GEHHUOZNIJSPDT-HTUGSXCWSA-N -1 3 388.403 0.647 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573460662 945918715 /nfs/dbraw/zinc/91/87/15/945918715.db2.gz LNRVRNFDRQVXBX-CYBMUJFWSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573460662 945918723 /nfs/dbraw/zinc/91/87/23/945918723.db2.gz LNRVRNFDRQVXBX-CYBMUJFWSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573461474 945919423 /nfs/dbraw/zinc/91/94/23/945919423.db2.gz OQSUXOVRCZDBDY-NSHDSACASA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573461474 945919429 /nfs/dbraw/zinc/91/94/29/945919429.db2.gz OQSUXOVRCZDBDY-NSHDSACASA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573460875 945920101 /nfs/dbraw/zinc/92/01/01/945920101.db2.gz MUCOEZWBBXUROQ-NXEZZACHSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573460875 945920108 /nfs/dbraw/zinc/92/01/08/945920108.db2.gz MUCOEZWBBXUROQ-NXEZZACHSA-N -1 3 390.448 0.123 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571285645 945922287 /nfs/dbraw/zinc/92/22/87/945922287.db2.gz KOIMCFHXBAWDIT-ZDUSSCGKSA-N -1 3 388.407 0.060 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571285645 945922293 /nfs/dbraw/zinc/92/22/93/945922293.db2.gz KOIMCFHXBAWDIT-ZDUSSCGKSA-N -1 3 388.407 0.060 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1COCCN1CC(F)(F)F ZINC001571285603 945922836 /nfs/dbraw/zinc/92/28/36/945922836.db2.gz JTHMLYFJSWOWFI-LBPRGKRZSA-N -1 3 388.325 0.885 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1COCCN1CC(F)(F)F ZINC001571285603 945922842 /nfs/dbraw/zinc/92/28/42/945922842.db2.gz JTHMLYFJSWOWFI-LBPRGKRZSA-N -1 3 388.325 0.885 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001573461594 945922974 /nfs/dbraw/zinc/92/29/74/945922974.db2.gz PUZMQFURDWBFNG-UHFFFAOYSA-N -1 3 387.444 0.639 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001573461594 945922978 /nfs/dbraw/zinc/92/29/78/945922978.db2.gz PUZMQFURDWBFNG-UHFFFAOYSA-N -1 3 387.444 0.639 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571285674 945923664 /nfs/dbraw/zinc/92/36/64/945923664.db2.gz LPEJKGWOORHFLO-UHFFFAOYSA-N -1 3 387.835 0.920 20 0 GCADHM Cc1ncoc1C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001571285635 945923682 /nfs/dbraw/zinc/92/36/82/945923682.db2.gz KGYYQUOKZISFMG-LLVKDONJSA-N -1 3 388.363 0.332 20 0 GCADHM Cc1ncoc1C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001571285635 945923693 /nfs/dbraw/zinc/92/36/93/945923693.db2.gz KGYYQUOKZISFMG-LLVKDONJSA-N -1 3 388.363 0.332 20 0 GCADHM O=C(Cc1ncc[nH]1)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571285700 945924974 /nfs/dbraw/zinc/92/49/74/945924974.db2.gz LUQQXFZKBXUJEA-NSHDSACASA-N -1 3 387.835 0.966 20 0 GCADHM O=C(Cc1ncc[nH]1)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571285700 945924986 /nfs/dbraw/zinc/92/49/86/945924986.db2.gz LUQQXFZKBXUJEA-NSHDSACASA-N -1 3 387.835 0.966 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001571285734 945925916 /nfs/dbraw/zinc/92/59/16/945925916.db2.gz MNWWIUPZDGKWNW-VHSXEESVSA-N -1 3 387.849 0.132 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001571285734 945925922 /nfs/dbraw/zinc/92/59/22/945925922.db2.gz MNWWIUPZDGKWNW-VHSXEESVSA-N -1 3 387.849 0.132 20 0 GCADHM CN1C[C@H](C(=O)NC[C@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)NC1=O 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CC(=O)NC(C)(C)C(=O)NCCN(c1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001573464824 945968444 /nfs/dbraw/zinc/96/84/44/945968444.db2.gz PPELVXMNPIQFLM-UHFFFAOYSA-N -1 3 386.460 0.570 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571287055 945968542 /nfs/dbraw/zinc/96/85/42/945968542.db2.gz ZLWYORSMPLOGDU-NWDGAFQWSA-N -1 3 388.407 0.472 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571287055 945968552 /nfs/dbraw/zinc/96/85/52/945968552.db2.gz ZLWYORSMPLOGDU-NWDGAFQWSA-N -1 3 388.407 0.472 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573467324 945977719 /nfs/dbraw/zinc/97/77/19/945977719.db2.gz BQUONQXXHCOFHE-LLVKDONJSA-N -1 3 377.424 0.421 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573467324 945977724 /nfs/dbraw/zinc/97/77/24/945977724.db2.gz BQUONQXXHCOFHE-LLVKDONJSA-N -1 3 377.424 0.421 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C 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/nfs/dbraw/zinc/99/29/23/945992923.db2.gz USGYVXYFJORPRR-JTQLQIEISA-N -1 3 390.429 0.214 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(C)n1 ZINC000822207388 945993370 /nfs/dbraw/zinc/99/33/70/945993370.db2.gz USGYVXYFJORPRR-SNVBAGLBSA-N -1 3 390.429 0.214 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC000822207388 945993381 /nfs/dbraw/zinc/99/33/81/945993381.db2.gz USGYVXYFJORPRR-SNVBAGLBSA-N -1 3 390.429 0.214 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573468563 945997545 /nfs/dbraw/zinc/99/75/45/945997545.db2.gz PHVWBDJAXHJCKR-LBPRGKRZSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573468563 945997553 /nfs/dbraw/zinc/99/75/53/945997553.db2.gz PHVWBDJAXHJCKR-LBPRGKRZSA-N -1 3 388.476 0.991 20 0 GCADHM CN(CC(C)(C)CO)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571289449 946006217 /nfs/dbraw/zinc/00/62/17/946006217.db2.gz DTQWGNONQWQXGG-UHFFFAOYSA-N -1 3 388.476 0.890 20 0 GCADHM CN(CC(C)(C)CO)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571289449 946006229 /nfs/dbraw/zinc/00/62/29/946006229.db2.gz DTQWGNONQWQXGG-UHFFFAOYSA-N -1 3 388.476 0.890 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573469415 946006674 /nfs/dbraw/zinc/00/66/74/946006674.db2.gz VSICEOGNRQFLSN-FZMZJTMJSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573469415 946006685 /nfs/dbraw/zinc/00/66/85/946006685.db2.gz VSICEOGNRQFLSN-FZMZJTMJSA-N -1 3 389.435 0.563 20 0 GCADHM Cc1csc(=O)n1CCN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571289472 946007270 /nfs/dbraw/zinc/00/72/70/946007270.db2.gz FOYSGQFUOCLQCP-LBPRGKRZSA-N -1 3 388.457 0.231 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573469787 946010688 /nfs/dbraw/zinc/01/06/88/946010688.db2.gz XPKOQLLUAGBQEL-XYPYZODXSA-N -1 3 376.396 0.375 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573469787 946010704 /nfs/dbraw/zinc/01/07/04/946010704.db2.gz XPKOQLLUAGBQEL-XYPYZODXSA-N -1 3 376.396 0.375 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1 ZINC001573469762 946012475 /nfs/dbraw/zinc/01/24/75/946012475.db2.gz XIVCNTQCPAKWKL-XBFCOCLRSA-N -1 3 384.444 0.402 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1 ZINC001573469762 946012483 /nfs/dbraw/zinc/01/24/83/946012483.db2.gz XIVCNTQCPAKWKL-XBFCOCLRSA-N -1 3 384.444 0.402 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573469922 946015267 /nfs/dbraw/zinc/01/52/67/946015267.db2.gz AEHSTARCAXIPSO-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573469922 946015278 /nfs/dbraw/zinc/01/52/78/946015278.db2.gz AEHSTARCAXIPSO-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470048 946015984 /nfs/dbraw/zinc/01/59/84/946015984.db2.gz AWQWPFNJMAHBFR-SKDRFNHKSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470048 946015994 /nfs/dbraw/zinc/01/59/94/946015994.db2.gz AWQWPFNJMAHBFR-SKDRFNHKSA-N -1 3 376.396 0.328 20 0 GCADHM Cc1nsc(N2CCC[C@H](NC(=O)[C@H](C)n3cncn3)C2)c1-c1nnn[n-]1 ZINC001571289756 946017562 /nfs/dbraw/zinc/01/75/62/946017562.db2.gz LWTKMPKVNKCRHM-QWRGUYRKSA-N -1 3 388.461 0.569 20 0 GCADHM Cc1nsc(N2CCC[C@H](NC(=O)c3ncn(C)n3)CC2)c1-c1nnn[n-]1 ZINC001571289793 946017717 /nfs/dbraw/zinc/01/77/17/946017717.db2.gz MOSATLVCKVERQI-JTQLQIEISA-N -1 3 388.461 0.549 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573470246 946019755 /nfs/dbraw/zinc/01/97/55/946019755.db2.gz BKDQFGDTIYWCAX-TZMCWYRMSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573470246 946019764 /nfs/dbraw/zinc/01/97/64/946019764.db2.gz BKDQFGDTIYWCAX-TZMCWYRMSA-N -1 3 386.460 0.379 20 0 GCADHM Cc1nsc(N(C)C[C@@H]2CCCN2C(=O)c2cn(C)nn2)c1-c1nnn[n-]1 ZINC001571289849 946021314 /nfs/dbraw/zinc/02/13/14/946021314.db2.gz NWYZUTSOFQOUPW-JTQLQIEISA-N -1 3 388.461 0.501 20 0 GCADHM Cc1nnc(CC(=O)N2CCC(Nc3snc(C)c3-c3nnn[n-]3)CC2)[nH]1 ZINC001571289972 946023089 /nfs/dbraw/zinc/02/30/89/946023089.db2.gz RGGYGDZRNSEULE-UHFFFAOYSA-N -1 3 388.461 0.704 20 0 GCADHM O=C(NC[C@@H]1CN(CCc2ccns2)CCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571290025 946026452 /nfs/dbraw/zinc/02/64/52/946026452.db2.gz SVYJVCRDDCAILB-GFCCVEGCSA-N -1 3 388.457 0.325 20 0 GCADHM O=C(NC[C@@H]1CN(CCc2ccns2)CCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571290025 946026461 /nfs/dbraw/zinc/02/64/61/946026461.db2.gz SVYJVCRDDCAILB-GFCCVEGCSA-N -1 3 388.457 0.325 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573470529 946026828 /nfs/dbraw/zinc/02/68/28/946026828.db2.gz GLSZYRSBBHNHMY-TZMCWYRMSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573470529 946026840 /nfs/dbraw/zinc/02/68/40/946026840.db2.gz GLSZYRSBBHNHMY-TZMCWYRMSA-N -1 3 386.460 0.888 20 0 GCADHM CN(C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1c[nH]c(=O)n1C ZINC001571290103 946027738 /nfs/dbraw/zinc/02/77/38/946027738.db2.gz VGXLTOCYJNAWLH-SNVBAGLBSA-N -1 3 388.457 0.714 20 0 GCADHM CN(C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)C(=O)c1c[nH]c(=O)n1C ZINC001571290103 946027746 /nfs/dbraw/zinc/02/77/46/946027746.db2.gz VGXLTOCYJNAWLH-SNVBAGLBSA-N -1 3 388.457 0.714 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573470528 946027901 /nfs/dbraw/zinc/02/79/01/946027901.db2.gz GLSZYRSBBHNHMY-OCCSQVGLSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573470528 946027912 /nfs/dbraw/zinc/02/79/12/946027912.db2.gz GLSZYRSBBHNHMY-OCCSQVGLSA-N -1 3 386.460 0.888 20 0 GCADHM CN(C)c1nc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ns1 ZINC001571290162 946030252 /nfs/dbraw/zinc/03/02/52/946030252.db2.gz WNOQBQBCHSCNGX-SNVBAGLBSA-N -1 3 388.461 0.117 20 0 GCADHM CN(C)c1nc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ns1 ZINC001571290162 946030260 /nfs/dbraw/zinc/03/02/60/946030260.db2.gz WNOQBQBCHSCNGX-SNVBAGLBSA-N -1 3 388.461 0.117 20 0 GCADHM CN(C)c1nc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)ns1 ZINC001571290211 946033491 /nfs/dbraw/zinc/03/34/91/946033491.db2.gz XPWUQXWTWHAUIY-JTQLQIEISA-N -1 3 388.461 0.117 20 0 GCADHM CN(C)c1nc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)ns1 ZINC001571290211 946033504 /nfs/dbraw/zinc/03/35/04/946033504.db2.gz XPWUQXWTWHAUIY-JTQLQIEISA-N -1 3 388.461 0.117 20 0 GCADHM Cc1nsc(N[C@H]2C[C@@H](CNC(=O)c3nnn(C)c3C)C2)c1-c1nnn[n-]1 ZINC001571290269 946034051 /nfs/dbraw/zinc/03/40/51/946034051.db2.gz YXUSJMHWTOVYQD-AOOOYVTPSA-N -1 3 388.461 0.689 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)nn1C ZINC001571290228 946034442 /nfs/dbraw/zinc/03/44/42/946034442.db2.gz YDFPITNXCIVHTD-SNVBAGLBSA-N -1 3 388.457 0.675 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)nn1C ZINC001571290228 946034454 /nfs/dbraw/zinc/03/44/54/946034454.db2.gz YDFPITNXCIVHTD-SNVBAGLBSA-N -1 3 388.457 0.675 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470783 946035647 /nfs/dbraw/zinc/03/56/47/946035647.db2.gz JORSGCHDOYCYQA-MFKMUULPSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470783 946035657 /nfs/dbraw/zinc/03/56/57/946035657.db2.gz JORSGCHDOYCYQA-MFKMUULPSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573470731 946038300 /nfs/dbraw/zinc/03/83/00/946038300.db2.gz JNGXNCDNXJAOPM-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573470731 946038313 /nfs/dbraw/zinc/03/83/13/946038313.db2.gz JNGXNCDNXJAOPM-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573471016 946039061 /nfs/dbraw/zinc/03/90/61/946039061.db2.gz LRPWXXAMZFPRGB-TZMCWYRMSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573471016 946039072 /nfs/dbraw/zinc/03/90/72/946039072.db2.gz LRPWXXAMZFPRGB-TZMCWYRMSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(CNS(N)(=O)=O)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001571290379 946042763 /nfs/dbraw/zinc/04/27/63/946042763.db2.gz CNYGBXZNDBRREW-UHFFFAOYSA-N -1 3 388.841 0.213 20 0 GCADHM CC(C)(CNS(N)(=O)=O)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001571290379 946042776 /nfs/dbraw/zinc/04/27/76/946042776.db2.gz CNYGBXZNDBRREW-UHFFFAOYSA-N -1 3 388.841 0.213 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573471111 946043802 /nfs/dbraw/zinc/04/38/02/946043802.db2.gz MDVQJNVKWWTYPP-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573471111 946043815 /nfs/dbraw/zinc/04/38/15/946043815.db2.gz MDVQJNVKWWTYPP-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cc1nnc[nH]1 ZINC001571290527 946045771 /nfs/dbraw/zinc/04/57/71/946045771.db2.gz HYNPALUVNNHVSQ-KWQFWETISA-N -1 3 388.823 0.677 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471263 946047198 /nfs/dbraw/zinc/04/71/98/946047198.db2.gz NPXAIPQWIHNLBM-DGCLKSJQSA-N -1 3 389.435 0.815 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471263 946047209 /nfs/dbraw/zinc/04/72/09/946047209.db2.gz NPXAIPQWIHNLBM-DGCLKSJQSA-N -1 3 389.435 0.815 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001573471198 946047373 /nfs/dbraw/zinc/04/73/73/946047373.db2.gz NDEDDXPHJVJYKM-YUTCNCBUSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001573471198 946047385 /nfs/dbraw/zinc/04/73/85/946047385.db2.gz NDEDDXPHJVJYKM-YUTCNCBUSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471578 946052228 /nfs/dbraw/zinc/05/22/28/946052228.db2.gz PNMHKYHVWTVTNH-PWSUYJOCSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471578 946052241 /nfs/dbraw/zinc/05/22/41/946052241.db2.gz PNMHKYHVWTVTNH-PWSUYJOCSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CN(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573471823 946056730 /nfs/dbraw/zinc/05/67/30/946056730.db2.gz ROEGHOKSUCOTGB-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CN(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573471823 946056745 /nfs/dbraw/zinc/05/67/45/946056745.db2.gz ROEGHOKSUCOTGB-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573471928 946058535 /nfs/dbraw/zinc/05/85/35/946058535.db2.gz SEKLKCLPKWLAKF-OCCSQVGLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573471928 946058550 /nfs/dbraw/zinc/05/85/50/946058550.db2.gz SEKLKCLPKWLAKF-OCCSQVGLSA-N -1 3 386.460 0.745 20 0 GCADHM Cc1c(C(=O)N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)nnn1C ZINC001571290882 946060824 /nfs/dbraw/zinc/06/08/24/946060824.db2.gz RXKMJTJXVNQEPK-UHFFFAOYSA-N -1 3 388.823 0.314 20 0 GCADHM Cc1c(C(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)nnn1C ZINC001571290882 946060836 /nfs/dbraw/zinc/06/08/36/946060836.db2.gz RXKMJTJXVNQEPK-UHFFFAOYSA-N -1 3 388.823 0.314 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573472178 946060861 /nfs/dbraw/zinc/06/08/61/946060861.db2.gz UHKFTIYJGXZHHS-PWSUYJOCSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573472178 946060876 /nfs/dbraw/zinc/06/08/76/946060876.db2.gz UHKFTIYJGXZHHS-PWSUYJOCSA-N -1 3 390.423 0.576 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1ccnn1CC(F)F ZINC001571291104 946068278 /nfs/dbraw/zinc/06/82/78/946068278.db2.gz BFTQOOMOWIWAGQ-NSHDSACASA-N -1 3 389.370 0.732 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1ccnn1CC(F)F ZINC001571291104 946068292 /nfs/dbraw/zinc/06/82/92/946068292.db2.gz BFTQOOMOWIWAGQ-NSHDSACASA-N -1 3 389.370 0.732 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CC1OCCCO1 ZINC001571291124 946069735 /nfs/dbraw/zinc/06/97/35/946069735.db2.gz CFGNRAVISUBQIX-PWSUYJOCSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CC1OCCCO1 ZINC001571291124 946069745 /nfs/dbraw/zinc/06/97/45/946069745.db2.gz CFGNRAVISUBQIX-PWSUYJOCSA-N -1 3 389.416 0.067 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573472684 946072004 /nfs/dbraw/zinc/07/20/04/946072004.db2.gz XIDBQRNMOAZWNW-GXSJLCMTSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 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ZINC001573474791 946095878 /nfs/dbraw/zinc/09/58/78/946095878.db2.gz NQAHNYZQNAMMSR-NSHDSACASA-N -1 3 377.474 0.487 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573474923 946098182 /nfs/dbraw/zinc/09/81/82/946098182.db2.gz ORUKZXODFOTABJ-WDEREUQCSA-N -1 3 389.435 0.467 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3snc(C)c3-c3nnn[n-]3)[C@H]2C)o1 ZINC001571293220 946099391 /nfs/dbraw/zinc/09/93/91/946099391.db2.gz BOGXZSKTBCUASS-PSASIEDQSA-N -1 3 389.445 0.967 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573475217 946100127 /nfs/dbraw/zinc/10/01/27/946100127.db2.gz RBHKIYCWDIBZDX-MNOVXSKESA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573475217 946100137 /nfs/dbraw/zinc/10/01/37/946100137.db2.gz RBHKIYCWDIBZDX-MNOVXSKESA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573475219 946100626 /nfs/dbraw/zinc/10/06/26/946100626.db2.gz RBHKIYCWDIBZDX-WDEREUQCSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573475219 946100631 /nfs/dbraw/zinc/10/06/31/946100631.db2.gz RBHKIYCWDIBZDX-WDEREUQCSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573475380 946100655 /nfs/dbraw/zinc/10/06/55/946100655.db2.gz STBIKLJSVLIOLD-GLQYFDAESA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573475380 946100659 /nfs/dbraw/zinc/10/06/59/946100659.db2.gz STBIKLJSVLIOLD-GLQYFDAESA-N -1 3 384.444 0.071 20 0 GCADHM CC1(C)CO[C@@H](CN2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571293296 946100821 /nfs/dbraw/zinc/10/08/21/946100821.db2.gz DNTJOQPGLWJZBD-KGLIPLIRSA-N -1 3 389.460 0.441 20 0 GCADHM CC1(C)CO[C@@H](CN2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571293296 946100827 /nfs/dbraw/zinc/10/08/27/946100827.db2.gz DNTJOQPGLWJZBD-KGLIPLIRSA-N -1 3 389.460 0.441 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573475352 946101152 /nfs/dbraw/zinc/10/11/52/946101152.db2.gz RRBSKUOMPQVYIN-IUODEOHRSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573475352 946101158 /nfs/dbraw/zinc/10/11/58/946101158.db2.gz RRBSKUOMPQVYIN-IUODEOHRSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]21 ZINC001573475591 946102313 /nfs/dbraw/zinc/10/23/13/946102313.db2.gz VZSNUAXKMMTQNO-CORIIIEPSA-N -1 3 384.444 0.132 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]21 ZINC001573475591 946102321 /nfs/dbraw/zinc/10/23/21/946102321.db2.gz VZSNUAXKMMTQNO-CORIIIEPSA-N -1 3 384.444 0.132 20 0 GCADHM CN1CCO[C@@H](C(=O)N2CCCN(c3cccc(F)c3-c3nnn[n-]3)CC2)C1 ZINC001571293435 946106387 /nfs/dbraw/zinc/10/63/87/946106387.db2.gz 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CC(=O)N[C@@H](C)C(=O)N[C@@](C)(CNc1nc(C)ccc1-c1nnn[n-]1)C1CC1 ZINC001573476048 946111680 /nfs/dbraw/zinc/11/16/80/946111680.db2.gz YFIKVAIEVBAPBA-VOJFVSQTSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@](C)(CNc1nc(C)ccc1-c1nn[n-]n1)C1CC1 ZINC001573476048 946111691 /nfs/dbraw/zinc/11/16/91/946111691.db2.gz YFIKVAIEVBAPBA-VOJFVSQTSA-N -1 3 386.460 0.792 20 0 GCADHM Cc1noc(N)c1C(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822528271 946116095 /nfs/dbraw/zinc/11/60/95/946116095.db2.gz ZNBJGIRXJVROEK-MRVPVSSYSA-N -1 3 375.370 0.769 20 0 GCADHM Cc1noc(N)c1C(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822528271 946116101 /nfs/dbraw/zinc/11/61/01/946116101.db2.gz ZNBJGIRXJVROEK-MRVPVSSYSA-N -1 3 375.370 0.769 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573476426 946117693 /nfs/dbraw/zinc/11/76/93/946117693.db2.gz GSXCZBLPUDJZIR-MNOVXSKESA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F 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/nfs/dbraw/zinc/12/10/10/946121010.db2.gz HTAULHUAEIJRQK-XGNXJENSSA-N -1 3 386.460 0.934 20 0 GCADHM Cc1nnc(CC(=O)N2CCCN(c3snc(C)c3-c3nnn[n-]3)CC2)o1 ZINC001571294052 946123670 /nfs/dbraw/zinc/12/36/70/946123670.db2.gz YYYLIHXQAMHPAG-UHFFFAOYSA-N -1 3 389.445 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573476873 946125682 /nfs/dbraw/zinc/12/56/82/946125682.db2.gz KJVCSVPZRZRQHT-RISCZKNCSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573476873 946125690 /nfs/dbraw/zinc/12/56/90/946125690.db2.gz KJVCSVPZRZRQHT-RISCZKNCSA-N -1 3 389.435 0.611 20 0 GCADHM CC(CO)(CO)CNC(=O)Nc1ccc(OC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001571294239 946129100 /nfs/dbraw/zinc/12/91/00/946129100.db2.gz CAXREFXJFWXBNW-UHFFFAOYSA-N -1 3 390.322 0.878 20 0 GCADHM CC(CO)(CO)CNC(=O)Nc1ccc(OC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001571294239 946129106 /nfs/dbraw/zinc/12/91/06/946129106.db2.gz CAXREFXJFWXBNW-UHFFFAOYSA-N -1 3 390.322 0.878 20 0 GCADHM O=C(NCc1cncc(-c2nnn[n-]2)c1)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001571294226 946130538 /nfs/dbraw/zinc/13/05/38/946130538.db2.gz BJZPNJKCHACONW-VHSXEESVSA-N -1 3 390.347 0.101 20 0 GCADHM O=C(NCc1cncc(-c2nn[n-]n2)c1)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001571294226 946130543 /nfs/dbraw/zinc/13/05/43/946130543.db2.gz BJZPNJKCHACONW-VHSXEESVSA-N -1 3 390.347 0.101 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CC1(C)C ZINC001573477312 946132638 /nfs/dbraw/zinc/13/26/38/946132638.db2.gz ONPZYIMNMWHXDJ-ZANVPECISA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CC1(C)C ZINC001573477312 946132644 /nfs/dbraw/zinc/13/26/44/946132644.db2.gz ONPZYIMNMWHXDJ-ZANVPECISA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573477409 946134836 /nfs/dbraw/zinc/13/48/36/946134836.db2.gz QAFDNHCAPMCVMB-IUCAKERBSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573477409 946134841 /nfs/dbraw/zinc/13/48/41/946134841.db2.gz QAFDNHCAPMCVMB-IUCAKERBSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573477382 946135074 /nfs/dbraw/zinc/13/50/74/946135074.db2.gz PMJCCIQNCSRVBQ-RKDXNWHRSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573477382 946135081 /nfs/dbraw/zinc/13/50/81/946135081.db2.gz PMJCCIQNCSRVBQ-RKDXNWHRSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573477569 946139185 /nfs/dbraw/zinc/13/91/85/946139185.db2.gz RUOLEUVMNCLLNF-DYZYQPBXSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573477569 946139186 /nfs/dbraw/zinc/13/91/86/946139186.db2.gz RUOLEUVMNCLLNF-DYZYQPBXSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573477765 946141015 /nfs/dbraw/zinc/14/10/15/946141015.db2.gz UAFCHSGEHAUHDW-ABAIWWIYSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573477765 946141021 /nfs/dbraw/zinc/14/10/21/946141021.db2.gz UAFCHSGEHAUHDW-ABAIWWIYSA-N -1 3 386.460 0.873 20 0 GCADHM CN(Cc1ncc(Cl)n1C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571294644 946141482 /nfs/dbraw/zinc/14/14/82/946141482.db2.gz KQMTZZFPAXMQDA-NSHDSACASA-N -1 3 389.851 0.928 20 0 GCADHM CN(Cc1ncc(Cl)n1C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571294644 946141486 /nfs/dbraw/zinc/14/14/86/946141486.db2.gz KQMTZZFPAXMQDA-NSHDSACASA-N -1 3 389.851 0.928 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CC(CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573477628 946141766 /nfs/dbraw/zinc/14/17/66/946141766.db2.gz SZQMMWWDSCNZPF-OIKLOGQESA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CC(CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573477628 946141769 /nfs/dbraw/zinc/14/17/69/946141769.db2.gz SZQMMWWDSCNZPF-OIKLOGQESA-N -1 3 375.408 0.837 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccoc1Cl ZINC001571294708 946143135 /nfs/dbraw/zinc/14/31/35/946143135.db2.gz LAJSBRLZNHSNQQ-NEPJUHHUSA-N -1 3 389.803 0.878 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccoc1Cl ZINC001571294708 946143144 /nfs/dbraw/zinc/14/31/44/946143144.db2.gz LAJSBRLZNHSNQQ-NEPJUHHUSA-N -1 3 389.803 0.878 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccoc1Cl ZINC001571294710 946143707 /nfs/dbraw/zinc/14/37/07/946143707.db2.gz LAJSBRLZNHSNQQ-RYUDHWBXSA-N -1 3 389.803 0.878 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccoc1Cl ZINC001571294710 946143710 /nfs/dbraw/zinc/14/37/10/946143710.db2.gz LAJSBRLZNHSNQQ-RYUDHWBXSA-N -1 3 389.803 0.878 20 0 GCADHM O=C(N[C@H]1CCN(c2cncc(Cl)n2)C[C@@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571294967 946151027 /nfs/dbraw/zinc/15/10/27/946151027.db2.gz RCAYOCMTUMUCSN-ONGXEEELSA-N -1 3 389.807 0.008 20 0 GCADHM O=C(N[C@H]1CCN(c2cncc(Cl)n2)C[C@@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571294967 946151029 /nfs/dbraw/zinc/15/10/29/946151029.db2.gz RCAYOCMTUMUCSN-ONGXEEELSA-N -1 3 389.807 0.008 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573478857 946152449 /nfs/dbraw/zinc/15/24/49/946152449.db2.gz ZBICOLWBQUXJLG-BDAKNGLRSA-N -1 3 380.840 0.381 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573478857 946152454 /nfs/dbraw/zinc/15/24/54/946152454.db2.gz ZBICOLWBQUXJLG-BDAKNGLRSA-N -1 3 380.840 0.381 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573479205 946153766 /nfs/dbraw/zinc/15/37/66/946153766.db2.gz AFZBWZVBNSPJNK-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573479205 946153769 /nfs/dbraw/zinc/15/37/69/946153769.db2.gz AFZBWZVBNSPJNK-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571295103 946154148 /nfs/dbraw/zinc/15/41/48/946154148.db2.gz SXMFGMCOQICMKY-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571295103 946154153 /nfs/dbraw/zinc/15/41/53/946154153.db2.gz SXMFGMCOQICMKY-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573479426 946158537 /nfs/dbraw/zinc/15/85/37/946158537.db2.gz CQLRYHSXBPUYGY-GCVQQVDUSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573479426 946158545 /nfs/dbraw/zinc/15/85/45/946158545.db2.gz CQLRYHSXBPUYGY-GCVQQVDUSA-N -1 3 375.408 0.837 20 0 GCADHM Cn1cccc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1=O ZINC000822689882 946158634 /nfs/dbraw/zinc/15/86/34/946158634.db2.gz QOPYAKFTWSLPOA-UHFFFAOYSA-N -1 3 379.336 0.972 20 0 GCADHM Cn1cccc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1=O ZINC000822689882 946158641 /nfs/dbraw/zinc/15/86/41/946158641.db2.gz QOPYAKFTWSLPOA-UHFFFAOYSA-N -1 3 379.336 0.972 20 0 GCADHM C[C@@H]1C[C@@H](NCc2nn(C)cc2Cl)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571295294 946158684 /nfs/dbraw/zinc/15/86/84/946158684.db2.gz WQJRLDXLPFUQFO-MWLCHTKSSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@@H]1C[C@@H](NCc2nn(C)cc2Cl)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571295294 946158691 /nfs/dbraw/zinc/15/86/91/946158691.db2.gz WQJRLDXLPFUQFO-MWLCHTKSSA-N -1 3 389.851 0.975 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@H](CNc2cc(Cl)c(=O)[nH]n2)C1 ZINC001571295390 946162508 /nfs/dbraw/zinc/16/25/08/946162508.db2.gz ZMSHTAKSCGLJFM-QMMMGPOBSA-N -1 3 389.807 0.918 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573479561 946164143 /nfs/dbraw/zinc/16/41/43/946164143.db2.gz FGMDUHMLTQSUIP-XIKOKIGWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573479561 946164149 /nfs/dbraw/zinc/16/41/49/946164149.db2.gz FGMDUHMLTQSUIP-XIKOKIGWSA-N -1 3 386.460 0.509 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571295473 946165010 /nfs/dbraw/zinc/16/50/10/946165010.db2.gz UQRUYEOWMIXSIV-CYBMUJFWSA-N -1 3 389.485 0.583 20 0 GCADHM Cc1nsc(NC[C@@H]2CN(C(=O)c3cn[nH]n3)CCCO2)c1-c1nnn[n-]1 ZINC001571295636 946168306 /nfs/dbraw/zinc/16/83/06/946168306.db2.gz AAWOAXWFSMMELV-SECBINFHSA-N -1 3 390.433 0.093 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001573480299 946173491 /nfs/dbraw/zinc/17/34/91/946173491.db2.gz KMNWAAFDJZJZQM-JHEVNIALSA-N -1 3 387.419 0.329 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001573480299 946173497 /nfs/dbraw/zinc/17/34/97/946173497.db2.gz KMNWAAFDJZJZQM-JHEVNIALSA-N -1 3 387.419 0.329 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2O)CCCOC1 ZINC001571295927 946179933 /nfs/dbraw/zinc/17/99/33/946179933.db2.gz JPHNIIBLRNPSEP-DFHBCGBQSA-N -1 3 390.419 0.488 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2O)CCCOC1 ZINC001571295927 946179943 /nfs/dbraw/zinc/17/99/43/946179943.db2.gz JPHNIIBLRNPSEP-DFHBCGBQSA-N -1 3 390.419 0.488 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573481042 946180073 /nfs/dbraw/zinc/18/00/73/946180073.db2.gz NQBBPEKGVJMVIW-ZWNOBZJWSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573481042 946180080 /nfs/dbraw/zinc/18/00/80/946180080.db2.gz NQBBPEKGVJMVIW-ZWNOBZJWSA-N -1 3 375.408 0.221 20 0 GCADHM O=C(C[C@@H]1CCOC1)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1O ZINC001571296105 946184490 /nfs/dbraw/zinc/18/44/90/946184490.db2.gz NWYGDXUMHXJBCT-XZJROXQQSA-N -1 3 390.419 0.094 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573481851 946186397 /nfs/dbraw/zinc/18/63/97/946186397.db2.gz SBWZXISNNUOQFW-SGTLLEGYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573481851 946186402 /nfs/dbraw/zinc/18/64/02/946186402.db2.gz SBWZXISNNUOQFW-SGTLLEGYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573481857 946187643 /nfs/dbraw/zinc/18/76/43/946187643.db2.gz SDSCADLXJMZGKU-GXSJLCMTSA-N -1 3 378.462 0.099 20 0 GCADHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CC(n2cc([C@H](C)O)nn2)C1 ZINC001571296197 946187752 /nfs/dbraw/zinc/18/77/52/946187752.db2.gz QEOARNBWOHYGSN-JTQLQIEISA-N -1 3 390.429 0.066 20 0 GCADHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CC(n2cc([C@H](C)O)nn2)C1 ZINC001571296197 946187761 /nfs/dbraw/zinc/18/77/61/946187761.db2.gz QEOARNBWOHYGSN-JTQLQIEISA-N -1 3 390.429 0.066 20 0 GCADHM O=C([C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1)N1[C@H](CO)CC[C@H]1CO ZINC001571296233 946189320 /nfs/dbraw/zinc/18/93/20/946189320.db2.gz RLQYTXWFDFLVPI-IHRRRGAJSA-N -1 3 390.419 0.176 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@H]1COCCO1 ZINC001571296262 946190379 /nfs/dbraw/zinc/19/03/79/946190379.db2.gz SCPLMCUSISKLJC-GOEBONIOSA-N -1 3 390.419 0.502 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1csc(=O)[nH]1 ZINC001571296346 946192227 /nfs/dbraw/zinc/19/22/27/946192227.db2.gz VIERCSGJXSREKD-SECBINFHSA-N -1 3 390.404 0.962 20 0 GCADHM O=C([C@H]1COCCO1)N1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001571296308 946192289 /nfs/dbraw/zinc/19/22/89/946192289.db2.gz UKBZOUOSHAUUAG-MRXNPFEDSA-N -1 3 390.419 0.456 20 0 GCADHM O=C([C@H]1COCCO1)N1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001571296308 946192294 /nfs/dbraw/zinc/19/22/94/946192294.db2.gz UKBZOUOSHAUUAG-MRXNPFEDSA-N -1 3 390.419 0.456 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001573482439 946196773 /nfs/dbraw/zinc/19/67/73/946196773.db2.gz WPVZFYDPYWRMRQ-SNVBAGLBSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001573482439 946196780 /nfs/dbraw/zinc/19/67/80/946196780.db2.gz WPVZFYDPYWRMRQ-SNVBAGLBSA-N -1 3 375.408 0.981 20 0 GCADHM Cc1nsc(N2CC[C@@H](N(C)C(=O)[C@H]3CCCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571297885 946198591 /nfs/dbraw/zinc/19/85/91/946198591.db2.gz CBEAWFKGVRLKPV-GHMZBOCLSA-N -1 3 390.473 0.337 20 0 GCADHM NC(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822864557 946203902 /nfs/dbraw/zinc/20/39/02/946203902.db2.gz DCOKENXBEZIGIR-BBRMVZONSA-N -1 3 383.456 0.950 20 0 GCADHM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C[C@H]3CCNC3=O)C2)c1-c1nnn[n-]1 ZINC001571298105 946206868 /nfs/dbraw/zinc/20/68/68/946206868.db2.gz JPYFKMHFOYKNNR-FBIMIBRVSA-N -1 3 390.473 0.099 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)[C@H]2C)c1-c1nnn[n-]1 ZINC001571298103 946207221 /nfs/dbraw/zinc/20/72/21/946207221.db2.gz JOJNFGIADARQHE-VWYCJHECSA-N -1 3 390.473 0.384 20 0 GCADHM Cc1nsc(N2CC[C@@H](NC(=O)C[C@@H]3CCCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571298252 946210938 /nfs/dbraw/zinc/21/09/38/946210938.db2.gz LGRDPSNYNGQWSL-WDEREUQCSA-N -1 3 390.473 0.385 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)cs3)CC2)nc1 ZINC000822886049 946211981 /nfs/dbraw/zinc/21/19/81/946211981.db2.gz ZQTWOZIVIXKUBK-UHFFFAOYSA-N -1 3 384.425 0.385 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)cs3)CC2)nc1 ZINC000822886049 946211992 /nfs/dbraw/zinc/21/19/92/946211992.db2.gz ZQTWOZIVIXKUBK-UHFFFAOYSA-N -1 3 384.425 0.385 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOC[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000822899907 946214165 /nfs/dbraw/zinc/21/41/65/946214165.db2.gz YADZYDGYVBWCPC-LLVKDONJSA-N -1 3 382.446 0.512 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOC[C@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC000822899907 946214176 /nfs/dbraw/zinc/21/41/76/946214176.db2.gz YADZYDGYVBWCPC-LLVKDONJSA-N -1 3 382.446 0.512 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573484018 946214817 /nfs/dbraw/zinc/21/48/17/946214817.db2.gz JGIFBWBBHWWCLH-LTZCYQRMSA-N -1 3 384.444 0.321 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573484018 946214830 /nfs/dbraw/zinc/21/48/30/946214830.db2.gz JGIFBWBBHWWCLH-LTZCYQRMSA-N -1 3 384.444 0.321 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573484548 946216892 /nfs/dbraw/zinc/21/68/92/946216892.db2.gz MMGPJUZGKNZFCZ-FPMFFAJLSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573484548 946216906 /nfs/dbraw/zinc/21/69/06/946216906.db2.gz MMGPJUZGKNZFCZ-FPMFFAJLSA-N -1 3 386.460 0.792 20 0 GCADHM O=C([C@@H]1CCOC1)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571298419 946217282 /nfs/dbraw/zinc/21/72/82/946217282.db2.gz NLNBGUONTAUZIK-GFCCVEGCSA-N -1 3 390.469 0.378 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nnn[n-]1 ZINC001573484476 946217532 /nfs/dbraw/zinc/21/75/32/946217532.db2.gz MEMZQBWQUDBOTB-GMNPVEAJSA-N -1 3 390.473 0.382 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1(CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573484922 946219774 /nfs/dbraw/zinc/21/97/74/946219774.db2.gz NGCTXHIEVGWIGH-SNVBAGLBSA-N -1 3 390.423 0.624 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1(CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573484922 946219781 /nfs/dbraw/zinc/21/97/81/946219781.db2.gz NGCTXHIEVGWIGH-SNVBAGLBSA-N -1 3 390.423 0.624 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573484929 946221880 /nfs/dbraw/zinc/22/18/80/946221880.db2.gz NLPGCDVEWZWMOR-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573484929 946221891 /nfs/dbraw/zinc/22/18/91/946221891.db2.gz NLPGCDVEWZWMOR-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571298621 946222964 /nfs/dbraw/zinc/22/29/64/946222964.db2.gz BOASZMVXXPKVQS-GWOFURMSSA-N -1 3 390.835 0.486 20 0 GCADHM NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571298621 946222978 /nfs/dbraw/zinc/22/29/78/946222978.db2.gz BOASZMVXXPKVQS-GWOFURMSSA-N -1 3 390.835 0.486 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1C ZINC001573485024 946223916 /nfs/dbraw/zinc/22/39/16/946223916.db2.gz PIUCZUKPAWOXRK-VYUIOLGVSA-N -1 3 392.851 0.381 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1C ZINC001573485024 946223926 /nfs/dbraw/zinc/22/39/26/946223926.db2.gz PIUCZUKPAWOXRK-VYUIOLGVSA-N -1 3 392.851 0.381 20 0 GCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571298623 946224026 /nfs/dbraw/zinc/22/40/26/946224026.db2.gz BOASZMVXXPKVQS-NAKRPEOUSA-N -1 3 390.835 0.486 20 0 GCADHM NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571298623 946224037 /nfs/dbraw/zinc/22/40/37/946224037.db2.gz BOASZMVXXPKVQS-NAKRPEOUSA-N -1 3 390.835 0.486 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCN(Cc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC001573485407 946225687 /nfs/dbraw/zinc/22/56/87/946225687.db2.gz SHYYRRFNPIFYAN-NSHDSACASA-N -1 3 389.435 0.611 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCCS1(=O)=O ZINC001571298712 946227315 /nfs/dbraw/zinc/22/73/15/946227315.db2.gz PTZFLXVPNURTHG-CABCVRRESA-N -1 3 390.469 0.134 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCCS1(=O)=O ZINC001571298712 946227329 /nfs/dbraw/zinc/22/73/29/946227329.db2.gz PTZFLXVPNURTHG-CABCVRRESA-N -1 3 390.469 0.134 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573485511 946228057 /nfs/dbraw/zinc/22/80/57/946228057.db2.gz UNRUMRHGDSJKRO-FPMFFAJLSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573485511 946228067 /nfs/dbraw/zinc/22/80/67/946228067.db2.gz UNRUMRHGDSJKRO-FPMFFAJLSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573485747 946232171 /nfs/dbraw/zinc/23/21/71/946232171.db2.gz XYAALZPCUZOVLT-IMJCEVDSSA-N -1 3 387.419 0.756 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573485747 946232182 /nfs/dbraw/zinc/23/21/82/946232182.db2.gz XYAALZPCUZOVLT-IMJCEVDSSA-N -1 3 387.419 0.756 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573485740 946233076 /nfs/dbraw/zinc/23/30/76/946233076.db2.gz XUYGACZMSGLJAS-BTQDYEIMSA-N -1 3 384.444 0.321 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573485740 946233088 /nfs/dbraw/zinc/23/30/88/946233088.db2.gz XUYGACZMSGLJAS-BTQDYEIMSA-N -1 3 384.444 0.321 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](O)[C@H](CO)C2)c1-c1nnn[n-]1 ZINC001571299066 946237530 /nfs/dbraw/zinc/23/75/30/946237530.db2.gz UEOTVBQBTRGXLW-GXFFZTMASA-N -1 3 390.469 0.676 20 0 GCADHM O=C(CN1CCCC1=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571299024 946238508 /nfs/dbraw/zinc/23/85/08/946238508.db2.gz HDPGHIVEOUDGSX-LLVKDONJSA-N -1 3 390.835 0.232 20 0 GCADHM O=C(CN1CCCC1=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571299024 946238523 /nfs/dbraw/zinc/23/85/23/946238523.db2.gz HDPGHIVEOUDGSX-LLVKDONJSA-N -1 3 390.835 0.232 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)[C@@H]3CCCC(=O)N3C)C2)c1-c1nnn[n-]1 ZINC001571299172 946241445 /nfs/dbraw/zinc/24/14/45/946241445.db2.gz URXDCQULWXRRMM-MNOVXSKESA-N -1 3 390.473 0.655 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)s1)C1=COCCC1 ZINC001571299259 946243336 /nfs/dbraw/zinc/24/33/36/946243336.db2.gz VHUWMQKKSJMIMT-ZDUSSCGKSA-N -1 3 390.469 0.940 20 0 GCADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000822978962 946243838 /nfs/dbraw/zinc/24/38/38/946243838.db2.gz UDYFTIJYBONOEI-INIZCTEOSA-N -1 3 384.440 0.695 20 0 GCADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000822978962 946243848 /nfs/dbraw/zinc/24/38/48/946243848.db2.gz UDYFTIJYBONOEI-INIZCTEOSA-N -1 3 384.440 0.695 20 0 GCADHM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001571299302 946247179 /nfs/dbraw/zinc/24/71/79/946247179.db2.gz VYLDKZXZKCKYLX-BYCMXARLSA-N -1 3 390.469 0.385 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573487684 946255660 /nfs/dbraw/zinc/25/56/60/946255660.db2.gz RLCBICQCHVXZRY-DLOVCJGASA-N -1 3 392.489 0.996 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573487862 946258640 /nfs/dbraw/zinc/25/86/40/946258640.db2.gz UYJWIGNVFYDCCW-MRVWCRGKSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573487862 946258653 /nfs/dbraw/zinc/25/86/53/946258653.db2.gz UYJWIGNVFYDCCW-MRVWCRGKSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573488073 946263137 /nfs/dbraw/zinc/26/31/37/946263137.db2.gz XUYGACZMSGLJAS-DWZYQQQCSA-N -1 3 384.444 0.321 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573488073 946263146 /nfs/dbraw/zinc/26/31/46/946263146.db2.gz XUYGACZMSGLJAS-DWZYQQQCSA-N -1 3 384.444 0.321 20 0 GCADHM COc1nc(C(=O)N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)co1 ZINC001571299915 946266795 /nfs/dbraw/zinc/26/67/95/946266795.db2.gz QZZARMZGIOQGDC-UHFFFAOYSA-N -1 3 390.791 0.874 20 0 GCADHM COc1nc(C(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)co1 ZINC001571299915 946266807 /nfs/dbraw/zinc/26/68/07/946266807.db2.gz QZZARMZGIOQGDC-UHFFFAOYSA-N -1 3 390.791 0.874 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573488613 946269806 /nfs/dbraw/zinc/26/98/06/946269806.db2.gz FZZDWBQIMLMYBP-JTQLQIEISA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573488613 946269817 /nfs/dbraw/zinc/26/98/17/946269817.db2.gz FZZDWBQIMLMYBP-JTQLQIEISA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)NC1(C(=O)NC/C=C/CNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488575 946270769 /nfs/dbraw/zinc/27/07/69/946270769.db2.gz DKVPXGCDOPAXCT-SNAWJCMRSA-N -1 3 384.444 0.795 20 0 GCADHM CC(=O)NC1(C(=O)NC/C=C/CNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488575 946270781 /nfs/dbraw/zinc/27/07/81/946270781.db2.gz DKVPXGCDOPAXCT-SNAWJCMRSA-N -1 3 384.444 0.795 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573488717 946275839 /nfs/dbraw/zinc/27/58/39/946275839.db2.gz KEMQIFAABXGMNW-VIFPVBQESA-N -1 3 392.489 0.997 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573488894 946280339 /nfs/dbraw/zinc/28/03/39/946280339.db2.gz PCPIEISUKHFWOV-UHFFFAOYSA-N -1 3 390.423 0.720 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573488894 946280345 /nfs/dbraw/zinc/28/03/45/946280345.db2.gz PCPIEISUKHFWOV-UHFFFAOYSA-N -1 3 390.423 0.720 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573489092 946285274 /nfs/dbraw/zinc/28/52/74/946285274.db2.gz XEJNBQLMOUQFOA-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573489092 946285282 /nfs/dbraw/zinc/28/52/82/946285282.db2.gz XEJNBQLMOUQFOA-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@@H]2C1 ZINC001571301880 946285648 /nfs/dbraw/zinc/28/56/48/946285648.db2.gz GPSXXHHDUWTSHJ-VWYCJHECSA-N -1 3 391.382 0.771 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@@H]2CN(C(=O)[C@@H]3CC3(F)F)C[C@@H]2C1 ZINC001571301880 946285659 /nfs/dbraw/zinc/28/56/59/946285659.db2.gz GPSXXHHDUWTSHJ-VWYCJHECSA-N -1 3 391.382 0.771 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573489096 946285992 /nfs/dbraw/zinc/28/59/92/946285992.db2.gz XEXHPGOUVJCYET-SNVBAGLBSA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573489096 946286003 /nfs/dbraw/zinc/28/60/03/946286003.db2.gz XEXHPGOUVJCYET-SNVBAGLBSA-N -1 3 390.423 0.766 20 0 GCADHM CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@H](C)OC2=O)c(-c2nnn[n-]2)cn1CC ZINC001571302049 946290349 /nfs/dbraw/zinc/29/03/49/946290349.db2.gz MRJQKHPEFHTOMG-WCBMZHEXSA-N -1 3 391.388 0.690 20 0 GCADHM CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@H](C)OC2=O)c(-c2nn[n-]n2)cn1CC ZINC001571302049 946290357 /nfs/dbraw/zinc/29/03/57/946290357.db2.gz MRJQKHPEFHTOMG-WCBMZHEXSA-N -1 3 391.388 0.690 20 0 GCADHM O=C([C@@H]1CCOC1)N1CCCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571301984 946290735 /nfs/dbraw/zinc/29/07/35/946290735.db2.gz KOTNJPKEARIUQM-DGCLKSJQSA-N -1 3 391.407 0.467 20 0 GCADHM O=C([C@@H]1CCOC1)N1CCCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571301984 946290745 /nfs/dbraw/zinc/29/07/45/946290745.db2.gz KOTNJPKEARIUQM-DGCLKSJQSA-N -1 3 391.407 0.467 20 0 GCADHM O=C(NC1CCC(NC(=O)[C@@]2(F)CCOC2)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571302128 946291556 /nfs/dbraw/zinc/29/15/56/946291556.db2.gz PFCWATODEVGKLT-VCMHEYGDSA-N -1 3 391.407 0.481 20 0 GCADHM O=C(NC1CCC(NC(=O)[C@@]2(F)CCOC2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571302128 946291564 /nfs/dbraw/zinc/29/15/64/946291564.db2.gz PFCWATODEVGKLT-VCMHEYGDSA-N -1 3 391.407 0.481 20 0 GCADHM CO[C@@H]1COC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001571302282 946296843 /nfs/dbraw/zinc/29/68/43/946296843.db2.gz TZQXGNJTRNOMIY-DZGCQCFKSA-N -1 3 391.407 0.251 20 0 GCADHM CO[C@@H]1COC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001571302282 946296851 /nfs/dbraw/zinc/29/68/51/946296851.db2.gz TZQXGNJTRNOMIY-DZGCQCFKSA-N -1 3 391.407 0.251 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C(=O)C2(CF)CCOCC2)CC1 ZINC001571302284 946297798 /nfs/dbraw/zinc/29/77/98/946297798.db2.gz UAXAJBZYFRTANH-UHFFFAOYSA-N -1 3 391.407 0.246 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C(=O)C2(CF)CCOCC2)CC1 ZINC001571302284 946297808 /nfs/dbraw/zinc/29/78/08/946297808.db2.gz UAXAJBZYFRTANH-UHFFFAOYSA-N -1 3 391.407 0.246 20 0 GCADHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCc2nc[nH]c(=O)c2C1 ZINC001571302316 946300728 /nfs/dbraw/zinc/30/07/28/946300728.db2.gz UQYMDMFNAQMCAM-UHFFFAOYSA-N -1 3 391.388 0.557 20 0 GCADHM CC(=O)N[C@@H]1CC2(CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)n2ccnc21 ZINC001573494378 946302748 /nfs/dbraw/zinc/30/27/48/946302748.db2.gz LQAXIFKLTUUFIN-OAHLLOKOSA-N -1 3 382.403 0.994 20 0 GCADHM CC(=O)N[C@@H]1CC2(CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)n2ccnc21 ZINC001573494378 946302761 /nfs/dbraw/zinc/30/27/61/946302761.db2.gz LQAXIFKLTUUFIN-OAHLLOKOSA-N -1 3 382.403 0.994 20 0 GCADHM O=C([C@H]1CC1(F)F)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nc1)CCO2 ZINC001571302440 946303704 /nfs/dbraw/zinc/30/37/04/946303704.db2.gz XWOIPRPPXRPXTO-WBMJQRKESA-N -1 3 391.382 0.725 20 0 GCADHM O=C([C@H]1CC1(F)F)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nc1)CCO2 ZINC001571302440 946303711 /nfs/dbraw/zinc/30/37/11/946303711.db2.gz XWOIPRPPXRPXTO-WBMJQRKESA-N -1 3 391.382 0.725 20 0 GCADHM O=C([C@@H]1CCc2ncncc2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571302578 946308563 /nfs/dbraw/zinc/30/85/63/946308563.db2.gz BZRYNUBYQFBKAF-DOMZBBRYSA-N -1 3 391.439 0.870 20 0 GCADHM O=C([C@@H]1CCc2ncncc2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571302578 946308573 /nfs/dbraw/zinc/30/85/73/946308573.db2.gz BZRYNUBYQFBKAF-DOMZBBRYSA-N -1 3 391.439 0.870 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1)c1cn2c(n1)CCC2 ZINC001571302662 946309385 /nfs/dbraw/zinc/30/93/85/946309385.db2.gz DVSREEQADXCNFU-XFJVYGCCSA-N -1 3 391.439 0.944 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1)c1cn2c(n1)CCC2 ZINC001571302662 946309400 /nfs/dbraw/zinc/30/94/00/946309400.db2.gz DVSREEQADXCNFU-XFJVYGCCSA-N -1 3 391.439 0.944 20 0 GCADHM CC(=O)NC1CCC(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573496247 946321104 /nfs/dbraw/zinc/32/11/04/946321104.db2.gz XTUHGEGWLPLQML-XGNXJENSSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC1CCC(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573496247 946321116 /nfs/dbraw/zinc/32/11/16/946321116.db2.gz XTUHGEGWLPLQML-XGNXJENSSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NCC(=O)N(C)C1CC(Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573496706 946327267 /nfs/dbraw/zinc/32/72/67/946327267.db2.gz AQQYDDGTMNPQIT-UHFFFAOYSA-N -1 3 378.824 0.453 20 0 GCADHM CC(=O)NCC(=O)N(C)C1CC(Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573496706 946327276 /nfs/dbraw/zinc/32/72/76/946327276.db2.gz AQQYDDGTMNPQIT-UHFFFAOYSA-N -1 3 378.824 0.453 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ncnc4c3CCC4)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571303381 946332869 /nfs/dbraw/zinc/33/28/69/946332869.db2.gz PQPAFDKVDQREDR-XYYAHUGASA-N -1 3 391.439 0.586 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ncnc4c3CCC4)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571303381 946332879 /nfs/dbraw/zinc/33/28/79/946332879.db2.gz PQPAFDKVDQREDR-XYYAHUGASA-N -1 3 391.439 0.586 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573496842 946334211 /nfs/dbraw/zinc/33/42/11/946334211.db2.gz DRXDBEDURJCQBN-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573496842 946334227 /nfs/dbraw/zinc/33/42/27/946334227.db2.gz DRXDBEDURJCQBN-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCN1c1ncccn1 ZINC000823201139 946343030 /nfs/dbraw/zinc/34/30/30/946343030.db2.gz ANPYNWHGJCAQFT-ZDUSSCGKSA-N -1 3 380.416 0.249 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCN1c1ncccn1 ZINC000823201139 946343066 /nfs/dbraw/zinc/34/30/66/946343066.db2.gz ANPYNWHGJCAQFT-ZDUSSCGKSA-N -1 3 380.416 0.249 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)COCC1CC1 ZINC000823211443 946346222 /nfs/dbraw/zinc/34/62/22/946346222.db2.gz PIRDBQISSYLDGP-CQSZACIVSA-N -1 3 376.417 0.332 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573497377 946349892 /nfs/dbraw/zinc/34/98/92/946349892.db2.gz QWLNMLOLNRTQBZ-LLVKDONJSA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573497377 946349905 /nfs/dbraw/zinc/34/99/05/946349905.db2.gz QWLNMLOLNRTQBZ-LLVKDONJSA-N -1 3 378.824 0.088 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1ccc2c(c1)CCC2 ZINC001571304069 946358629 /nfs/dbraw/zinc/35/86/29/946358629.db2.gz XHBIHUKWKLZWOX-MSOLQXFVSA-N -1 3 391.435 0.730 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1ccc2c(c1)CCC2 ZINC001571304069 946358637 /nfs/dbraw/zinc/35/86/37/946358637.db2.gz XHBIHUKWKLZWOX-MSOLQXFVSA-N -1 3 391.435 0.730 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H](C)[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573499486 946367582 /nfs/dbraw/zinc/36/75/82/946367582.db2.gz DRHNUCBITOHJGB-JQWIXIFHSA-N -1 3 375.408 0.648 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H](C)[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573499486 946367595 /nfs/dbraw/zinc/36/75/95/946367595.db2.gz DRHNUCBITOHJGB-JQWIXIFHSA-N -1 3 375.408 0.648 20 0 GCADHM CC(=O)NCC(=O)N(CCN(C)c1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573500952 946377641 /nfs/dbraw/zinc/37/76/41/946377641.db2.gz LXMYODUKYXMWKQ-UHFFFAOYSA-N -1 3 378.412 0.210 20 0 GCADHM CC(=O)NCC(=O)N(CCN(C)c1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573500952 946377652 /nfs/dbraw/zinc/37/76/52/946377652.db2.gz LXMYODUKYXMWKQ-UHFFFAOYSA-N -1 3 378.412 0.210 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571305979 946381664 /nfs/dbraw/zinc/38/16/64/946381664.db2.gz NHBNAEVUJWOBCI-NSHDSACASA-N -1 3 391.798 0.646 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571305979 946381676 /nfs/dbraw/zinc/38/16/76/946381676.db2.gz NHBNAEVUJWOBCI-NSHDSACASA-N -1 3 391.798 0.646 20 0 GCADHM CC(=O)NCC(=O)N(C)CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573501533 946382573 /nfs/dbraw/zinc/38/25/73/946382573.db2.gz QEMZXJBDLLZIEI-AWEZNQCLSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)NCC(=O)N(C)CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573501533 946382583 /nfs/dbraw/zinc/38/25/83/946382583.db2.gz QEMZXJBDLLZIEI-AWEZNQCLSA-N -1 3 392.439 0.822 20 0 GCADHM O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571306204 946392281 /nfs/dbraw/zinc/39/22/81/946392281.db2.gz IOMOYAPECJVISE-AAEUAGOBSA-N -1 3 391.457 0.099 20 0 GCADHM O=C(C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571306204 946392289 /nfs/dbraw/zinc/39/22/89/946392289.db2.gz IOMOYAPECJVISE-AAEUAGOBSA-N -1 3 391.457 0.099 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]([C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573503843 946397927 /nfs/dbraw/zinc/39/79/27/946397927.db2.gz CIMGTQAMJHXHIM-KCJUWKMLSA-N -1 3 378.462 0.417 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]([C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573503841 946398712 /nfs/dbraw/zinc/39/87/12/946398712.db2.gz CIMGTQAMJHXHIM-GZMMTYOYSA-N -1 3 378.462 0.417 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)[C@H]2C1 ZINC001573504164 946407068 /nfs/dbraw/zinc/40/70/68/946407068.db2.gz GWUPHAIVDRRVOW-AEGPPILISA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)[C@H]2C1 ZINC001573504164 946407075 /nfs/dbraw/zinc/40/70/75/946407075.db2.gz GWUPHAIVDRRVOW-AEGPPILISA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573504184 946408837 /nfs/dbraw/zinc/40/88/37/946408837.db2.gz FQUOFTFEFCUMNB-TZMCWYRMSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573504184 946408845 /nfs/dbraw/zinc/40/88/45/946408845.db2.gz FQUOFTFEFCUMNB-TZMCWYRMSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573504525 946411098 /nfs/dbraw/zinc/41/10/98/946411098.db2.gz HGQGHKXOAROICH-FZMZJTMJSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573504525 946411101 /nfs/dbraw/zinc/41/11/01/946411101.db2.gz HGQGHKXOAROICH-FZMZJTMJSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571306809 946412112 /nfs/dbraw/zinc/41/21/12/946412112.db2.gz QQBOVVVDMLUXEW-JQWIXIFHSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001571306809 946412119 /nfs/dbraw/zinc/41/21/19/946412119.db2.gz QQBOVVVDMLUXEW-JQWIXIFHSA-N -1 3 391.457 0.098 20 0 GCADHM Cc1nsc(N2C[C@@H]3CCN(C(=O)[C@H]4COCCO4)[C@@H]3C2)c1-c1nnn[n-]1 ZINC001571306997 946414886 /nfs/dbraw/zinc/41/48/86/946414886.db2.gz SSYFCXWXXVNORO-QJPTWQEYSA-N -1 3 391.457 0.084 20 0 GCADHM O=C(Cn1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cn1)N1CCOCC1 ZINC000823375980 946419582 /nfs/dbraw/zinc/41/95/82/946419582.db2.gz SQTUIZJQCNQVND-UHFFFAOYSA-N -1 3 388.413 0.236 20 0 GCADHM O=C(Cn1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cn1)N1CCOCC1 ZINC000823375980 946419588 /nfs/dbraw/zinc/41/95/88/946419588.db2.gz SQTUIZJQCNQVND-UHFFFAOYSA-N -1 3 388.413 0.236 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCN(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573505349 946419851 /nfs/dbraw/zinc/41/98/51/946419851.db2.gz MPEWSMVINCNHRN-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCN(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573505349 946419856 /nfs/dbraw/zinc/41/98/56/946419856.db2.gz MPEWSMVINCNHRN-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CCNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573506309 946430326 /nfs/dbraw/zinc/43/03/26/946430326.db2.gz QRCKBCZXAMYZOP-LBPRGKRZSA-N -1 3 375.408 0.792 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CCNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573506309 946430327 /nfs/dbraw/zinc/43/03/27/946430327.db2.gz QRCKBCZXAMYZOP-LBPRGKRZSA-N -1 3 375.408 0.792 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC([C@H](F)C(N)=O)CC1 ZINC001571308113 946431931 /nfs/dbraw/zinc/43/19/31/946431931.db2.gz NDGYIOGMIYWKOE-HNNXBMFYSA-N -1 3 392.391 0.316 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC([C@H](F)C(N)=O)CC1 ZINC001571308113 946431933 /nfs/dbraw/zinc/43/19/33/946431933.db2.gz NDGYIOGMIYWKOE-HNNXBMFYSA-N -1 3 392.391 0.316 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573506345 946433010 /nfs/dbraw/zinc/43/30/10/946433010.db2.gz QYWBKODZCAHRQU-CQSZACIVSA-N -1 3 375.408 0.175 20 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ZINC001571309494 946446979 /nfs/dbraw/zinc/44/69/79/946446979.db2.gz BMZNFEDEGVKVJS-ILXRZTDVSA-N -1 3 392.423 0.500 20 0 GCADHM O=S(=O)(CCN1CCO[C@@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562998 946447335 /nfs/dbraw/zinc/44/73/35/946447335.db2.gz YICKJDAZIGDECQ-GFCCVEGCSA-N -1 3 391.375 0.904 20 0 GCADHM O=S(=O)(CCN1CCO[C@@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562998 946447344 /nfs/dbraw/zinc/44/73/44/946447344.db2.gz YICKJDAZIGDECQ-GFCCVEGCSA-N -1 3 391.375 0.904 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573507630 946447843 /nfs/dbraw/zinc/44/78/43/946447843.db2.gz ZXQDYOVMIIBSBD-NSHDSACASA-N -1 3 392.851 0.336 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573507630 946447852 /nfs/dbraw/zinc/44/78/52/946447852.db2.gz ZXQDYOVMIIBSBD-NSHDSACASA-N -1 3 392.851 0.336 20 0 GCADHM O=S(=O)(CCN1CCO[C@H](C(F)(F)F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562999 946447990 /nfs/dbraw/zinc/44/79/90/946447990.db2.gz YICKJDAZIGDECQ-LBPRGKRZSA-N -1 3 391.375 0.904 20 0 GCADHM O=S(=O)(CCN1CCO[C@H](C(F)(F)F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562999 946448004 /nfs/dbraw/zinc/44/80/04/946448004.db2.gz YICKJDAZIGDECQ-LBPRGKRZSA-N -1 3 391.375 0.904 20 0 GCADHM Cc1ccncc1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001571309711 946450868 /nfs/dbraw/zinc/45/08/68/946450868.db2.gz ILICEZBDYHYAGD-MLGOLLRUSA-N -1 3 392.423 0.885 20 0 GCADHM Cc1ccncc1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571309711 946450876 /nfs/dbraw/zinc/45/08/76/946450876.db2.gz ILICEZBDYHYAGD-MLGOLLRUSA-N -1 3 392.423 0.885 20 0 GCADHM Cc1nc(N2C[C@@H]3CN(C(=O)c4cccc(=O)[nH]4)C[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001571309695 946451808 /nfs/dbraw/zinc/45/18/08/946451808.db2.gz IANHMZHGIOXOHI-BETUJISGSA-N -1 3 392.423 0.879 20 0 GCADHM Cc1nc(N2C[C@@H]3CN(C(=O)c4cccc(=O)[nH]4)C[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001571309695 946451815 /nfs/dbraw/zinc/45/18/15/946451815.db2.gz IANHMZHGIOXOHI-BETUJISGSA-N -1 3 392.423 0.879 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573508060 946452208 /nfs/dbraw/zinc/45/22/08/946452208.db2.gz XXIAEJQWNPTATF-UKRRQHHQSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573508060 946452210 /nfs/dbraw/zinc/45/22/10/946452210.db2.gz XXIAEJQWNPTATF-UKRRQHHQSA-N -1 3 384.444 0.133 20 0 GCADHM O=C(NC1CN([C@@H]2CCc3ccccc3NC2=O)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571309758 946453601 /nfs/dbraw/zinc/45/36/01/946453601.db2.gz JTRLOWKZIZSDCQ-MRXNPFEDSA-N -1 3 392.423 0.562 20 0 GCADHM O=C(NC1CN([C@@H]2CCc3ccccc3NC2=O)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571309758 946453610 /nfs/dbraw/zinc/45/36/10/946453610.db2.gz JTRLOWKZIZSDCQ-MRXNPFEDSA-N -1 3 392.423 0.562 20 0 GCADHM O=S(=O)(c1cccc(F)c1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823607922 946453618 /nfs/dbraw/zinc/45/36/18/946453618.db2.gz YUCPEZDWBGGZLL-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1cccc(F)c1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823607922 946453628 /nfs/dbraw/zinc/45/36/28/946453628.db2.gz YUCPEZDWBGGZLL-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573508366 946454389 /nfs/dbraw/zinc/45/43/89/946454389.db2.gz ZUPOHGXYPVILJM-TVQRCGJNSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573508366 946454393 /nfs/dbraw/zinc/45/43/93/946454393.db2.gz ZUPOHGXYPVILJM-TVQRCGJNSA-N -1 3 376.396 0.186 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823614904 946455108 /nfs/dbraw/zinc/45/51/08/946455108.db2.gz UJDUYLLHEYOREB-ZIAGYGMSSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823614904 946455114 /nfs/dbraw/zinc/45/51/14/946455114.db2.gz UJDUYLLHEYOREB-ZIAGYGMSSA-N -1 3 397.482 0.597 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573508317 946455600 /nfs/dbraw/zinc/45/56/00/946455600.db2.gz ZISNVWJMILEIPI-AWEZNQCLSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573508317 946455611 /nfs/dbraw/zinc/45/56/11/946455611.db2.gz ZISNVWJMILEIPI-AWEZNQCLSA-N -1 3 386.460 0.747 20 0 GCADHM NC(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC001571309960 946456704 /nfs/dbraw/zinc/45/67/04/946456704.db2.gz QQBZEJYZBMPGIG-GJZGRUSLSA-N -1 3 392.423 0.393 20 0 GCADHM Cn1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)cn2)c1=O ZINC001571309961 946457534 /nfs/dbraw/zinc/45/75/34/946457534.db2.gz QQGNPNKRINMDMH-OKILXGFUSA-N -1 3 392.423 0.454 20 0 GCADHM Cn1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)cn2)c1=O ZINC001571309961 946457539 /nfs/dbraw/zinc/45/75/39/946457539.db2.gz QQGNPNKRINMDMH-OKILXGFUSA-N -1 3 392.423 0.454 20 0 GCADHM Cc1ccncc1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571309893 946457845 /nfs/dbraw/zinc/45/78/45/946457845.db2.gz ORHSQOXWGLKDSP-MLGOLLRUSA-N -1 3 392.423 0.885 20 0 GCADHM Cc1ccncc1C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571309893 946457871 /nfs/dbraw/zinc/45/78/71/946457871.db2.gz ORHSQOXWGLKDSP-MLGOLLRUSA-N -1 3 392.423 0.885 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571309904 946458245 /nfs/dbraw/zinc/45/82/45/946458245.db2.gz PCPNWSAAEGRPFR-LBPRGKRZSA-N -1 3 392.423 0.935 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571309904 946458252 /nfs/dbraw/zinc/45/82/52/946458252.db2.gz PCPNWSAAEGRPFR-LBPRGKRZSA-N -1 3 392.423 0.935 20 0 GCADHM O=C(NC1CN([C@H]2CCN(c3ccccc3)C2=O)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571310024 946459361 /nfs/dbraw/zinc/45/93/61/946459361.db2.gz SDNVXFXVHHWVRQ-INIZCTEOSA-N -1 3 392.423 0.414 20 0 GCADHM O=C(NC1CN([C@H]2CCN(c3ccccc3)C2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571310024 946459369 /nfs/dbraw/zinc/45/93/69/946459369.db2.gz SDNVXFXVHHWVRQ-INIZCTEOSA-N -1 3 392.423 0.414 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]21 ZINC001573509266 946459496 /nfs/dbraw/zinc/45/94/96/946459496.db2.gz IWHBYAHIKXXFML-DZGCQCFKSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]21 ZINC001573509266 946459504 /nfs/dbraw/zinc/45/95/04/946459504.db2.gz IWHBYAHIKXXFML-DZGCQCFKSA-N -1 3 384.444 0.133 20 0 GCADHM O=C(NC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnc(C2CC2)[n-]c1=O ZINC001571310069 946461165 /nfs/dbraw/zinc/46/11/65/946461165.db2.gz UHBYGQDUOHCRMQ-UHFFFAOYSA-N -1 3 392.423 0.854 20 0 GCADHM Cn1cccc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)c1=O ZINC001571310202 946463139 /nfs/dbraw/zinc/46/31/39/946463139.db2.gz YDSDZFKSBZDLIM-QKDCVEJESA-N -1 3 392.423 0.073 20 0 GCADHM Cn1cccc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)c1=O ZINC001571310202 946463146 /nfs/dbraw/zinc/46/31/46/946463146.db2.gz YDSDZFKSBZDLIM-QKDCVEJESA-N -1 3 392.423 0.073 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573509625 946464329 /nfs/dbraw/zinc/46/43/29/946464329.db2.gz PQTCTSZRYWVCCC-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573509625 946464333 /nfs/dbraw/zinc/46/43/33/946464333.db2.gz PQTCTSZRYWVCCC-AWEZNQCLSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573510098 946471102 /nfs/dbraw/zinc/47/11/02/946471102.db2.gz YWHRTZLXIXAXFA-ZDUSSCGKSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573510098 946471108 /nfs/dbraw/zinc/47/11/08/946471108.db2.gz YWHRTZLXIXAXFA-ZDUSSCGKSA-N -1 3 390.423 0.354 20 0 GCADHM Cc1nsc(N2CCC[C@@H](NC(=O)[C@@H]3COC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571310523 946475359 /nfs/dbraw/zinc/47/53/59/946475359.db2.gz IOVDVGWELGZRDX-ZJUUUORDSA-N -1 3 392.445 0.215 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CCCC1 ZINC001573510495 946478975 /nfs/dbraw/zinc/47/89/75/946478975.db2.gz ISDGTHBEPWRABX-HNNXBMFYSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CCCC1 ZINC001573510495 946478983 /nfs/dbraw/zinc/47/89/83/946478983.db2.gz ISDGTHBEPWRABX-HNNXBMFYSA-N -1 3 386.460 0.793 20 0 GCADHM Cc1nsc(N2CCC(C)(NC(=O)[C@H]3COC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571310790 946478982 /nfs/dbraw/zinc/47/89/82/946478982.db2.gz NCPLRRLEZSMLBM-SECBINFHSA-N -1 3 392.445 0.215 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1snc(C)c1-c1nnn[n-]1)C1CCCC1 ZINC001573511136 946483645 /nfs/dbraw/zinc/48/36/45/946483645.db2.gz NDLSGTFJPCTJQC-LBPRGKRZSA-N -1 3 392.489 0.855 20 0 GCADHM Cc1cc2c(cc1-c1nnn[n-]1)[nH]nc2NC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001571311404 946487514 /nfs/dbraw/zinc/48/75/14/946487514.db2.gz WSJNBFHMXZUNJA-LBPRGKRZSA-N -1 3 392.445 0.564 20 0 GCADHM Cc1cc2c(cc1-c1nn[n-]n1)[nH]nc2NC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001571311404 946487520 /nfs/dbraw/zinc/48/75/20/946487520.db2.gz WSJNBFHMXZUNJA-LBPRGKRZSA-N -1 3 392.445 0.564 20 0 GCADHM CCOC(=O)[C@@H](CSC)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571311565 946490275 /nfs/dbraw/zinc/49/02/75/946490275.db2.gz ZYDBNJCQIXGWKB-GFCCVEGCSA-N -1 3 392.441 0.007 20 0 GCADHM CCOC(=O)[C@@H](CSC)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571311565 946490279 /nfs/dbraw/zinc/49/02/79/946490279.db2.gz ZYDBNJCQIXGWKB-GFCCVEGCSA-N -1 3 392.441 0.007 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001571312434 946491870 /nfs/dbraw/zinc/49/18/70/946491870.db2.gz CTWUBBRTGROPIC-VXGBXAGGSA-N -1 3 392.427 0.787 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001571312434 946491876 /nfs/dbraw/zinc/49/18/76/946491876.db2.gz CTWUBBRTGROPIC-VXGBXAGGSA-N -1 3 392.427 0.787 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)CC(C)C ZINC001573512220 946496771 /nfs/dbraw/zinc/49/67/71/946496771.db2.gz WHKAHQRZJGWHIY-LBPRGKRZSA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)CC(C)C ZINC001573512220 946496778 /nfs/dbraw/zinc/49/67/78/946496778.db2.gz WHKAHQRZJGWHIY-LBPRGKRZSA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573512265 946497753 /nfs/dbraw/zinc/49/77/53/946497753.db2.gz XBHOLJZYERONQI-BXUZGUMPSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573512265 946497762 /nfs/dbraw/zinc/49/77/62/946497762.db2.gz XBHOLJZYERONQI-BXUZGUMPSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1snc(C)c1-c1nnn[n-]1)C2 ZINC001573512756 946502426 /nfs/dbraw/zinc/50/24/26/946502426.db2.gz HKJVTCBPUZLFSF-TUAOUCFPSA-N -1 3 390.473 0.241 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573512690 946502556 /nfs/dbraw/zinc/50/25/56/946502556.db2.gz ZONVFYVAXHOJAD-SNVBAGLBSA-N -1 3 375.408 0.078 20 0 GCADHM CC(=O)NCC(=O)N[C@@](C)(CNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573512715 946502966 /nfs/dbraw/zinc/50/29/66/946502966.db2.gz ZZYSDDHKNLZKMO-INIZCTEOSA-N -1 3 392.851 0.748 20 0 GCADHM CC(=O)NCC(=O)N[C@@](C)(CNc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573512715 946502971 /nfs/dbraw/zinc/50/29/71/946502971.db2.gz ZZYSDDHKNLZKMO-INIZCTEOSA-N -1 3 392.851 0.748 20 0 GCADHM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nnn[n-]2)cc1F ZINC001573512907 946504964 /nfs/dbraw/zinc/50/49/64/946504964.db2.gz JLHHMKGPSHWAGE-YHWZYXNKSA-N -1 3 388.407 0.153 20 0 GCADHM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nn[n-]n2)cc1F ZINC001573512907 946504970 /nfs/dbraw/zinc/50/49/70/946504970.db2.gz JLHHMKGPSHWAGE-YHWZYXNKSA-N -1 3 388.407 0.153 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C12CCC2 ZINC001573513130 946508723 /nfs/dbraw/zinc/50/87/23/946508723.db2.gz KYUALIHKLWWYLL-UONOGXRCSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C12CCC2 ZINC001573513130 946508733 /nfs/dbraw/zinc/50/87/33/946508733.db2.gz KYUALIHKLWWYLL-UONOGXRCSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573513184 946509028 /nfs/dbraw/zinc/50/90/28/946509028.db2.gz LMWUEJOULJYREP-HIFRSBDPSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573513184 946509035 /nfs/dbraw/zinc/50/90/35/946509035.db2.gz LMWUEJOULJYREP-HIFRSBDPSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573513289 946510623 /nfs/dbraw/zinc/51/06/23/946510623.db2.gz MIEJFAGEOMHKRV-BXUZGUMPSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573513354 946510762 /nfs/dbraw/zinc/51/07/62/946510762.db2.gz MVCJLGSHUXHCNK-GHMZBOCLSA-N -1 3 378.462 0.465 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@@H]1N(c1ncc(-c3nnn[n-]3)cc1F)CC2 ZINC001573513277 946511159 /nfs/dbraw/zinc/51/11/59/946511159.db2.gz MCWGAXNOMCPAIW-GUYCJALGSA-N -1 3 388.407 0.155 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@@H]1N(c1ncc(-c3nn[n-]n3)cc1F)CC2 ZINC001573513277 946511166 /nfs/dbraw/zinc/51/11/66/946511166.db2.gz MCWGAXNOMCPAIW-GUYCJALGSA-N -1 3 388.407 0.155 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C12CCC2 ZINC001573513789 946515686 /nfs/dbraw/zinc/51/56/86/946515686.db2.gz QGSFXZAQEIPYAL-QWHCGFSZSA-N -1 3 388.407 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C12CCC2 ZINC001573513789 946515691 /nfs/dbraw/zinc/51/56/91/946515691.db2.gz QGSFXZAQEIPYAL-QWHCGFSZSA-N -1 3 388.407 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573514103 946518829 /nfs/dbraw/zinc/51/88/29/946518829.db2.gz SABJNUMPLCXZPY-RBSFLKMASA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573514103 946518839 /nfs/dbraw/zinc/51/88/39/946518839.db2.gz SABJNUMPLCXZPY-RBSFLKMASA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@@]1(CNc2ncccc2-c2nnn[n-]2)CCCC[C@H]1C ZINC001573514167 946520416 /nfs/dbraw/zinc/52/04/16/946520416.db2.gz UBINVMBVUHXWLJ-KZULUSFZSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@@]1(CNc2ncccc2-c2nn[n-]n2)CCCC[C@H]1C ZINC001573514167 946520425 /nfs/dbraw/zinc/52/04/25/946520425.db2.gz UBINVMBVUHXWLJ-KZULUSFZSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@]1(CNc2ncccc2-c2nnn[n-]2)CCCC[C@H]1C ZINC001573514169 946521284 /nfs/dbraw/zinc/52/12/84/946521284.db2.gz UBINVMBVUHXWLJ-XIKOKIGWSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@]1(CNc2ncccc2-c2nn[n-]n2)CCCC[C@H]1C ZINC001573514169 946521294 /nfs/dbraw/zinc/52/12/94/946521294.db2.gz UBINVMBVUHXWLJ-XIKOKIGWSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001573514355 946525767 /nfs/dbraw/zinc/52/57/67/946525767.db2.gz XRJQPBDQTQLUBA-MGPQQGTHSA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001573514355 946525774 /nfs/dbraw/zinc/52/57/74/946525774.db2.gz XRJQPBDQTQLUBA-MGPQQGTHSA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C12CCC2 ZINC001573514433 946527105 /nfs/dbraw/zinc/52/71/05/946527105.db2.gz YXOVMKJPSYLDAY-KBPBESRZSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C12CCC2 ZINC001573514433 946527115 /nfs/dbraw/zinc/52/71/15/946527115.db2.gz YXOVMKJPSYLDAY-KBPBESRZSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2snc(C)c2-c2nnn[n-]2)CCCCC1 ZINC001573514387 946527938 /nfs/dbraw/zinc/52/79/38/946527938.db2.gz YEDWMCAAHQZHTI-UHFFFAOYSA-N -1 3 392.489 0.999 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573515200 946540953 /nfs/dbraw/zinc/54/09/53/946540953.db2.gz IYDMJGKIONKHOO-LLVKDONJSA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573515200 946540969 /nfs/dbraw/zinc/54/09/69/946540969.db2.gz IYDMJGKIONKHOO-LLVKDONJSA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H](C)C1 ZINC001573515179 946541255 /nfs/dbraw/zinc/54/12/55/946541255.db2.gz IPWFFIYZQAXTHV-CABZTGNLSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H](C)C1 ZINC001573515179 946541262 /nfs/dbraw/zinc/54/12/62/946541262.db2.gz IPWFFIYZQAXTHV-CABZTGNLSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC001573517216 946566777 /nfs/dbraw/zinc/56/67/77/946566777.db2.gz FAMHLJWSWDMRMZ-UHFFFAOYSA-N -1 3 391.407 0.219 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC001573517216 946566783 /nfs/dbraw/zinc/56/67/83/946566783.db2.gz FAMHLJWSWDMRMZ-UHFFFAOYSA-N -1 3 391.407 0.219 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001573517372 946571018 /nfs/dbraw/zinc/57/10/18/946571018.db2.gz ISSLLVOYDDJTIW-LBPRGKRZSA-N -1 3 392.489 0.633 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573520271 946595083 /nfs/dbraw/zinc/59/50/83/946595083.db2.gz GNKMNAPPCCMZJU-NWDGAFQWSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573520271 946595087 /nfs/dbraw/zinc/59/50/87/946595087.db2.gz GNKMNAPPCCMZJU-NWDGAFQWSA-N -1 3 375.408 0.839 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571317376 946608639 /nfs/dbraw/zinc/60/86/39/946608639.db2.gz FKRLODLKESGHKC-MWLCHTKSSA-N -1 3 392.807 0.061 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571317376 946608647 /nfs/dbraw/zinc/60/86/47/946608647.db2.gz FKRLODLKESGHKC-MWLCHTKSSA-N -1 3 392.807 0.061 20 0 GCADHM CC(=O)NCC(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573521481 946609220 /nfs/dbraw/zinc/60/92/20/946609220.db2.gz XRQZEQAKAKZAHI-UHFFFAOYSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573521481 946609226 /nfs/dbraw/zinc/60/92/26/946609226.db2.gz XRQZEQAKAKZAHI-UHFFFAOYSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573521710 946611190 /nfs/dbraw/zinc/61/11/90/946611190.db2.gz BVRJUMHNVVPCKW-ZDUSSCGKSA-N -1 3 375.408 0.223 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573521710 946611203 /nfs/dbraw/zinc/61/12/03/946611203.db2.gz BVRJUMHNVVPCKW-ZDUSSCGKSA-N -1 3 375.408 0.223 20 0 GCADHM CC(C)[C@H](O)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000824199953 946618115 /nfs/dbraw/zinc/61/81/15/946618115.db2.gz MXFFDMDAMUVSKO-ZDUSSCGKSA-N -1 3 376.392 0.858 20 0 GCADHM CC(C)[C@H](O)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000824199953 946618122 /nfs/dbraw/zinc/61/81/22/946618122.db2.gz MXFFDMDAMUVSKO-ZDUSSCGKSA-N -1 3 376.392 0.858 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2scnc2Cl)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571317693 946618693 /nfs/dbraw/zinc/61/86/93/946618693.db2.gz QYRMYMAOABMQIQ-LJGSYFOKSA-N -1 3 392.832 0.996 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2scnc2Cl)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571317693 946618699 /nfs/dbraw/zinc/61/86/99/946618699.db2.gz QYRMYMAOABMQIQ-LJGSYFOKSA-N -1 3 392.832 0.996 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCNC(=O)N(C)C ZINC000824206591 946621541 /nfs/dbraw/zinc/62/15/41/946621541.db2.gz FPUMBKZQOKEGSJ-HNNXBMFYSA-N -1 3 389.460 1.000 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCNC(=O)N(C)C ZINC000824206591 946621546 /nfs/dbraw/zinc/62/15/46/946621546.db2.gz FPUMBKZQOKEGSJ-HNNXBMFYSA-N -1 3 389.460 1.000 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573522141 946622384 /nfs/dbraw/zinc/62/23/84/946622384.db2.gz BGVCRDFGYYSVIE-XHDPSFHLSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573522141 946622391 /nfs/dbraw/zinc/62/23/91/946622391.db2.gz BGVCRDFGYYSVIE-XHDPSFHLSA-N -1 3 386.460 0.683 20 0 GCADHM 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CC(=O)N[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573540410 946776449 /nfs/dbraw/zinc/77/64/49/946776449.db2.gz CZCZUACDJZKTID-OAHLLOKOSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573540410 946776457 /nfs/dbraw/zinc/77/64/57/946776457.db2.gz CZCZUACDJZKTID-OAHLLOKOSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573540600 946778951 /nfs/dbraw/zinc/77/89/51/946778951.db2.gz HMJDRUXSUWAFOI-CQSZACIVSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573540600 946778957 /nfs/dbraw/zinc/77/89/57/946778957.db2.gz HMJDRUXSUWAFOI-CQSZACIVSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573540936 946780561 /nfs/dbraw/zinc/78/05/61/946780561.db2.gz LDBIDSVUVFRJNI-QGZVFWFLSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573540936 946780571 /nfs/dbraw/zinc/78/05/71/946780571.db2.gz LDBIDSVUVFRJNI-QGZVFWFLSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C(C)(C)C ZINC001573541369 946786719 /nfs/dbraw/zinc/78/67/19/946786719.db2.gz QOWYNNDRKUQHJX-OAHLLOKOSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C(C)(C)C ZINC001573541369 946786726 /nfs/dbraw/zinc/78/67/26/946786726.db2.gz QOWYNNDRKUQHJX-OAHLLOKOSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573541629 946788666 /nfs/dbraw/zinc/78/86/66/946788666.db2.gz UHCRRLVISWRZBD-MRXNPFEDSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573541629 946788668 /nfs/dbraw/zinc/78/86/68/946788668.db2.gz UHCRRLVISWRZBD-MRXNPFEDSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)N(C)CCNc1ncccc1-c1nnn[n-]1 ZINC001573542392 946798275 /nfs/dbraw/zinc/79/82/75/946798275.db2.gz 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946874952 /nfs/dbraw/zinc/87/49/52/946874952.db2.gz CUAFOHLMUOYBJI-DGCLKSJQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)CCCN1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633474 946877288 /nfs/dbraw/zinc/87/72/88/946877288.db2.gz OJNKOGHGZXDJGV-CYBMUJFWSA-N -1 3 380.474 0.569 20 0 GCADHM C[C@@H](NS(=O)(=O)CCCN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633474 946877300 /nfs/dbraw/zinc/87/73/00/946877300.db2.gz OJNKOGHGZXDJGV-CYBMUJFWSA-N -1 3 380.474 0.569 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(F)(F)C1 ZINC000824633972 946880087 /nfs/dbraw/zinc/88/00/87/946880087.db2.gz SEYVXPLFGXEHMP-SECBINFHSA-N -1 3 386.384 0.401 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(F)(F)C1 ZINC000824633972 946880107 /nfs/dbraw/zinc/88/01/07/946880107.db2.gz SEYVXPLFGXEHMP-SECBINFHSA-N -1 3 386.384 0.401 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC=C(F)C1 ZINC000824633917 946881385 /nfs/dbraw/zinc/88/13/85/946881385.db2.gz RJPLUJGEEPZAAU-SNVBAGLBSA-N 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947114685 /nfs/dbraw/zinc/11/46/85/947114685.db2.gz DTLJSIISYMGXDM-OCCSQVGLSA-N -1 3 375.433 0.275 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000825201138 947114697 /nfs/dbraw/zinc/11/46/97/947114697.db2.gz DTLJSIISYMGXDM-OCCSQVGLSA-N -1 3 375.433 0.275 20 0 GCADHM C=CC(=O)Nc1ccc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)cc1 ZINC001573301272 947134928 /nfs/dbraw/zinc/13/49/28/947134928.db2.gz WINCPSMGKHVYNR-UHFFFAOYSA-N -1 3 380.368 0.970 20 0 GCADHM C=CC(=O)Nc1ccc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)cc1 ZINC001573301272 947134935 /nfs/dbraw/zinc/13/49/35/947134935.db2.gz WINCPSMGKHVYNR-UHFFFAOYSA-N -1 3 380.368 0.970 20 0 GCADHM CCCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000825301176 947148165 /nfs/dbraw/zinc/14/81/65/947148165.db2.gz JLGYALPNMGUOIY-AWEZNQCLSA-N -1 3 378.458 0.975 20 0 GCADHM CCCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000825301176 947148174 /nfs/dbraw/zinc/14/81/74/947148174.db2.gz JLGYALPNMGUOIY-AWEZNQCLSA-N -1 3 378.458 0.975 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000825499961 947208048 /nfs/dbraw/zinc/20/80/48/947208048.db2.gz YVUHWKLQNRYYMT-ZDUSSCGKSA-N -1 3 387.444 0.808 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000825499961 947208054 /nfs/dbraw/zinc/20/80/54/947208054.db2.gz YVUHWKLQNRYYMT-ZDUSSCGKSA-N -1 3 387.444 0.808 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)N(C)Cc2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000825564598 947221951 /nfs/dbraw/zinc/22/19/51/947221951.db2.gz AVUZZEOXEIDYAG-UHFFFAOYSA-N -1 3 399.411 0.907 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)c2ccc3c(c2)NC(=O)CO3)c1-c1nnn[n-]1 ZINC000825571242 947233821 /nfs/dbraw/zinc/23/38/21/947233821.db2.gz WEZHFWSHFFIRRC-UHFFFAOYSA-N -1 3 397.351 0.454 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H](C)c1cncnc1 ZINC001573584893 947238491 /nfs/dbraw/zinc/23/84/91/947238491.db2.gz ALVYKLJOYBMPPP-MNOVXSKESA-N -1 3 383.416 0.365 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H](C)c1cncnc1 ZINC001573584893 947238507 /nfs/dbraw/zinc/23/85/07/947238507.db2.gz ALVYKLJOYBMPPP-MNOVXSKESA-N -1 3 383.416 0.365 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H](C)c1cncnc1 ZINC001573585153 947245962 /nfs/dbraw/zinc/24/59/62/947245962.db2.gz CUDVEBUNCIXTOC-GHMZBOCLSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H](C)c1cncnc1 ZINC001573585153 947245972 /nfs/dbraw/zinc/24/59/72/947245972.db2.gz CUDVEBUNCIXTOC-GHMZBOCLSA-N -1 3 383.416 0.365 20 0 GCADHM CCOCCN1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C[C@@H]1CC ZINC000825600066 947250754 /nfs/dbraw/zinc/25/07/54/947250754.db2.gz YDWJNRBTCFCPBU-ZDUSSCGKSA-N -1 3 377.449 0.665 20 0 GCADHM CCOCCN1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C[C@@H]1CC ZINC000825600066 947250765 /nfs/dbraw/zinc/25/07/65/947250765.db2.gz YDWJNRBTCFCPBU-ZDUSSCGKSA-N -1 3 377.449 0.665 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H](C)c1cccnc1 ZINC001573585408 947256354 /nfs/dbraw/zinc/25/63/54/947256354.db2.gz FPHHQVWOHOXIAL-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H](C)c1cccnc1 ZINC001573585408 947256362 /nfs/dbraw/zinc/25/63/62/947256362.db2.gz FPHHQVWOHOXIAL-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000825680191 947290489 /nfs/dbraw/zinc/29/04/89/947290489.db2.gz XBNYBGZHQJLSFT-GFCCVEGCSA-N -1 3 397.395 0.880 20 0 GCADHM CC(C)N(C(=O)[C@@H](C)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573587264 947301675 /nfs/dbraw/zinc/30/16/75/947301675.db2.gz YUGOUNLPJSAQGL-GFCCVEGCSA-N -1 3 388.476 0.643 20 0 GCADHM CC(C)N(C(=O)[C@@H](C)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573587264 947301686 /nfs/dbraw/zinc/30/16/86/947301686.db2.gz YUGOUNLPJSAQGL-GFCCVEGCSA-N -1 3 388.476 0.643 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC001573587252 947303183 /nfs/dbraw/zinc/30/31/83/947303183.db2.gz YPTGZGQBDRQHRR-RYUDHWBXSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC001573587252 947303197 /nfs/dbraw/zinc/30/31/97/947303197.db2.gz YPTGZGQBDRQHRR-RYUDHWBXSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573591397 947308412 /nfs/dbraw/zinc/30/84/12/947308412.db2.gz BGZQMUIVMDXCAJ-MLGOLLRUSA-N -1 3 383.456 0.424 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573591397 947308422 /nfs/dbraw/zinc/30/84/22/947308422.db2.gz BGZQMUIVMDXCAJ-MLGOLLRUSA-N -1 3 383.456 0.424 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573591399 947309809 /nfs/dbraw/zinc/30/98/09/947309809.db2.gz BIAOAZXXLPYNNW-DOMZBBRYSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573591399 947309821 /nfs/dbraw/zinc/30/98/21/947309821.db2.gz BIAOAZXXLPYNNW-DOMZBBRYSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)C(C)(F)F ZINC001573591506 947314314 /nfs/dbraw/zinc/31/43/14/947314314.db2.gz BYUNOVFEMFPRGX-PWSUYJOCSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)(F)F ZINC001573591506 947314328 /nfs/dbraw/zinc/31/43/28/947314328.db2.gz BYUNOVFEMFPRGX-PWSUYJOCSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1)C(C)(F)F ZINC001573591482 947314566 /nfs/dbraw/zinc/31/45/66/947314566.db2.gz BUKOQXQPZVPWFR-GHMZBOCLSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1)C(C)(F)F ZINC001573591482 947314580 /nfs/dbraw/zinc/31/45/80/947314580.db2.gz BUKOQXQPZVPWFR-GHMZBOCLSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573592074 947326966 /nfs/dbraw/zinc/32/69/66/947326966.db2.gz ILBYDLMPXKWEOV-LLVKDONJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573592074 947326979 /nfs/dbraw/zinc/32/69/79/947326979.db2.gz ILBYDLMPXKWEOV-LLVKDONJSA-N -1 3 380.412 0.676 20 0 GCADHM CN(C)C(=O)NCCN(C)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000825846342 947344720 /nfs/dbraw/zinc/34/47/20/947344720.db2.gz XBXVYTGHYCPATD-UHFFFAOYSA-N -1 3 375.433 0.754 20 0 GCADHM CN(C)C(=O)NCCN(C)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825846342 947344732 /nfs/dbraw/zinc/34/47/32/947344732.db2.gz XBXVYTGHYCPATD-UHFFFAOYSA-N -1 3 375.433 0.754 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573592772 947350612 /nfs/dbraw/zinc/35/06/12/947350612.db2.gz MPMRPBIIWXQYAE-MFKMUULPSA-N -1 3 377.424 0.702 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573592772 947350625 /nfs/dbraw/zinc/35/06/25/947350625.db2.gz MPMRPBIIWXQYAE-MFKMUULPSA-N -1 3 377.424 0.702 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000825875310 947351488 /nfs/dbraw/zinc/35/14/88/947351488.db2.gz JORBGUKHPJXHGX-UHFFFAOYSA-N -1 3 390.425 0.813 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000825875310 947351500 /nfs/dbraw/zinc/35/15/00/947351500.db2.gz JORBGUKHPJXHGX-UHFFFAOYSA-N -1 3 390.425 0.813 20 0 GCADHM CN(CC(=O)N1CCCC1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825886990 947354304 /nfs/dbraw/zinc/35/43/04/947354304.db2.gz AVZIOQBRTCWGAX-INIZCTEOSA-N -1 3 383.456 0.916 20 0 GCADHM CN(CC(=O)N1CCCC1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825886990 947354317 /nfs/dbraw/zinc/35/43/17/947354317.db2.gz AVZIOQBRTCWGAX-INIZCTEOSA-N -1 3 383.456 0.916 20 0 GCADHM CN(C)c1nccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000825888713 947358362 /nfs/dbraw/zinc/35/83/62/947358362.db2.gz URPVSIUNHWTHID-UHFFFAOYSA-N -1 3 394.848 0.855 20 0 GCADHM CN(C)c1nccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825888713 947358372 /nfs/dbraw/zinc/35/83/72/947358372.db2.gz URPVSIUNHWTHID-UHFFFAOYSA-N -1 3 394.848 0.855 20 0 GCADHM CN(C)c1nccc(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000825887103 947359293 /nfs/dbraw/zinc/35/92/93/947359293.db2.gz CTWDQMGENSAYLU-UHFFFAOYSA-N -1 3 392.420 0.481 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573593051 947360625 /nfs/dbraw/zinc/36/06/25/947360625.db2.gz PQJOZKVTJZYZLB-NSHDSACASA-N -1 3 385.407 0.501 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573593051 947360641 /nfs/dbraw/zinc/36/06/41/947360641.db2.gz PQJOZKVTJZYZLB-NSHDSACASA-N -1 3 385.407 0.501 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573593050 947361436 /nfs/dbraw/zinc/36/14/36/947361436.db2.gz PQJOZKVTJZYZLB-LLVKDONJSA-N -1 3 385.407 0.501 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573593050 947361445 /nfs/dbraw/zinc/36/14/45/947361445.db2.gz PQJOZKVTJZYZLB-LLVKDONJSA-N -1 3 385.407 0.501 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573593248 947364248 /nfs/dbraw/zinc/36/42/48/947364248.db2.gz IVNIQRDYGBQWAV-HIFPTAJRSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573593248 947364266 /nfs/dbraw/zinc/36/42/66/947364266.db2.gz IVNIQRDYGBQWAV-HIFPTAJRSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573593896 947381386 /nfs/dbraw/zinc/38/13/86/947381386.db2.gz MRLTVYPUATWVOO-DOMZBBRYSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573594082 947385457 /nfs/dbraw/zinc/38/54/57/947385457.db2.gz XFSBTDSHJTYSPS-DZGCQCFKSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573594082 947385460 /nfs/dbraw/zinc/38/54/60/947385460.db2.gz XFSBTDSHJTYSPS-DZGCQCFKSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001573594083 947386560 /nfs/dbraw/zinc/38/65/60/947386560.db2.gz XFSBTDSHJTYSPS-HIFRSBDPSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001573594083 947386572 /nfs/dbraw/zinc/38/65/72/947386572.db2.gz XFSBTDSHJTYSPS-HIFRSBDPSA-N -1 3 384.444 0.580 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826010521 947401776 /nfs/dbraw/zinc/40/17/76/947401776.db2.gz LYPCZYBLYXPGCH-KBPBESRZSA-N -1 3 383.412 0.099 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826010521 947401781 /nfs/dbraw/zinc/40/17/81/947401781.db2.gz LYPCZYBLYXPGCH-KBPBESRZSA-N -1 3 383.412 0.099 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826010522 947402696 /nfs/dbraw/zinc/40/26/96/947402696.db2.gz LYPCZYBLYXPGCH-KGLIPLIRSA-N -1 3 383.412 0.099 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826010522 947402700 /nfs/dbraw/zinc/40/27/00/947402700.db2.gz LYPCZYBLYXPGCH-KGLIPLIRSA-N -1 3 383.412 0.099 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573594707 947404000 /nfs/dbraw/zinc/40/40/00/947404000.db2.gz CNFYTNKMDHFZIV-PSASIEDQSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573594707 947404014 /nfs/dbraw/zinc/40/40/14/947404014.db2.gz CNFYTNKMDHFZIV-PSASIEDQSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573594855 947407720 /nfs/dbraw/zinc/40/77/20/947407720.db2.gz DBRPEKWYLNKZNR-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573594855 947407725 /nfs/dbraw/zinc/40/77/25/947407725.db2.gz DBRPEKWYLNKZNR-DGCLKSJQSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573594856 947408652 /nfs/dbraw/zinc/40/86/52/947408652.db2.gz DBRPEKWYLNKZNR-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573594856 947408659 /nfs/dbraw/zinc/40/86/59/947408659.db2.gz DBRPEKWYLNKZNR-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573595437 947419963 /nfs/dbraw/zinc/41/99/63/947419963.db2.gz GGABFALMOWLZLO-JQWIXIFHSA-N -1 3 389.395 0.090 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573595437 947419969 /nfs/dbraw/zinc/41/99/69/947419969.db2.gz GGABFALMOWLZLO-JQWIXIFHSA-N -1 3 389.395 0.090 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573595497 947422658 /nfs/dbraw/zinc/42/26/58/947422658.db2.gz GKXDULYIADNIMI-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573595497 947422663 /nfs/dbraw/zinc/42/26/63/947422663.db2.gz GKXDULYIADNIMI-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573595500 947422731 /nfs/dbraw/zinc/42/27/31/947422731.db2.gz GKXDULYIADNIMI-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573595500 947422739 /nfs/dbraw/zinc/42/27/39/947422739.db2.gz GKXDULYIADNIMI-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCC(=O)N1 ZINC001573596913 947433558 /nfs/dbraw/zinc/43/35/58/947433558.db2.gz LZWQLBZMZZHFCI-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCC(=O)N1 ZINC001573596913 947433566 /nfs/dbraw/zinc/43/35/66/947433566.db2.gz LZWQLBZMZZHFCI-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ncccc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573597304 947434940 /nfs/dbraw/zinc/43/49/40/947434940.db2.gz NCZWIZOWGXJJDD-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ncccc1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573597304 947434946 /nfs/dbraw/zinc/43/49/46/947434946.db2.gz NCZWIZOWGXJJDD-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001573597874 947439494 /nfs/dbraw/zinc/43/94/94/947439494.db2.gz PFJNUXDHWCKMEN-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001573597874 947439508 /nfs/dbraw/zinc/43/95/08/947439508.db2.gz PFJNUXDHWCKMEN-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573597918 947439723 /nfs/dbraw/zinc/43/97/23/947439723.db2.gz PKVTYUFWNPVLPE-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573597918 947439729 /nfs/dbraw/zinc/43/97/29/947439729.db2.gz PKVTYUFWNPVLPE-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573597921 947439745 /nfs/dbraw/zinc/43/97/45/947439745.db2.gz PKVTYUFWNPVLPE-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573597921 947439755 /nfs/dbraw/zinc/43/97/55/947439755.db2.gz PKVTYUFWNPVLPE-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573597914 947440584 /nfs/dbraw/zinc/44/05/84/947440584.db2.gz PKHWHTPDKWWSMC-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573597914 947440593 /nfs/dbraw/zinc/44/05/93/947440593.db2.gz PKHWHTPDKWWSMC-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573598969 947446260 /nfs/dbraw/zinc/44/62/60/947446260.db2.gz SPXYEKYCGAOGFU-JQWIXIFHSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573598969 947446271 /nfs/dbraw/zinc/44/62/71/947446271.db2.gz SPXYEKYCGAOGFU-JQWIXIFHSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cccn1 ZINC001573599739 947460386 /nfs/dbraw/zinc/46/03/86/947460386.db2.gz ZVHPBHZGKFJGKK-NWDGAFQWSA-N -1 3 388.407 0.695 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cccn1 ZINC001573599739 947460395 /nfs/dbraw/zinc/46/03/95/947460395.db2.gz ZVHPBHZGKFJGKK-NWDGAFQWSA-N -1 3 388.407 0.695 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573599667 947460571 /nfs/dbraw/zinc/46/05/71/947460571.db2.gz ZJCUWWFYJRQFIT-PWSUYJOCSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573599667 947460582 /nfs/dbraw/zinc/46/05/82/947460582.db2.gz ZJCUWWFYJRQFIT-PWSUYJOCSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573602899 947473858 /nfs/dbraw/zinc/47/38/58/947473858.db2.gz BGQLLXHCFMRNNH-LBPRGKRZSA-N -1 3 385.432 0.032 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573602899 947473861 /nfs/dbraw/zinc/47/38/61/947473861.db2.gz BGQLLXHCFMRNNH-LBPRGKRZSA-N -1 3 385.432 0.032 20 0 GCADHM COCC(=O)N1CCN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826147720 947475104 /nfs/dbraw/zinc/47/51/04/947475104.db2.gz JKKZAAOLZYCSRK-UHFFFAOYSA-N -1 3 396.455 0.558 20 0 GCADHM COCC(=O)N1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826147720 947475110 /nfs/dbraw/zinc/47/51/10/947475110.db2.gz JKKZAAOLZYCSRK-UHFFFAOYSA-N -1 3 396.455 0.558 20 0 GCADHM COC[C@@H](O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826152007 947479388 /nfs/dbraw/zinc/47/93/88/947479388.db2.gz OEVFEZUQQAOTDV-LBPRGKRZSA-N -1 3 392.416 0.106 20 0 GCADHM COC[C@@H](O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826152007 947479398 /nfs/dbraw/zinc/47/93/98/947479398.db2.gz OEVFEZUQQAOTDV-LBPRGKRZSA-N -1 3 392.416 0.106 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573603317 947481538 /nfs/dbraw/zinc/48/15/38/947481538.db2.gz KBHATEJBKSRUGN-GFCCVEGCSA-N -1 3 380.474 0.190 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)[C@H]1CCCO1 ZINC001573603410 947486864 /nfs/dbraw/zinc/48/68/64/947486864.db2.gz GIQJLNVIIVDTCR-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)[C@H]1CCCO1 ZINC001573603410 947486868 /nfs/dbraw/zinc/48/68/68/947486868.db2.gz GIQJLNVIIVDTCR-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM COCCN(Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)[C@H](C)C(N)=O ZINC000826159653 947504417 /nfs/dbraw/zinc/50/44/17/947504417.db2.gz MVNGPUGNSJJELE-GFCCVEGCSA-N -1 3 384.444 0.589 20 0 GCADHM COCCN(Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)[C@H](C)C(N)=O ZINC000826159653 947504426 /nfs/dbraw/zinc/50/44/26/947504426.db2.gz MVNGPUGNSJJELE-GFCCVEGCSA-N -1 3 384.444 0.589 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573604120 947506282 /nfs/dbraw/zinc/50/62/82/947506282.db2.gz LUDPAPRSYDUMMZ-GFCCVEGCSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573604120 947506289 /nfs/dbraw/zinc/50/62/89/947506289.db2.gz LUDPAPRSYDUMMZ-GFCCVEGCSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCC(=O)N1 ZINC001573604913 947520321 /nfs/dbraw/zinc/52/03/21/947520321.db2.gz YIPVTQPARFXKKE-GWCFXTLKSA-N -1 3 390.423 0.210 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCC(=O)N1 ZINC001573604913 947520336 /nfs/dbraw/zinc/52/03/36/947520336.db2.gz YIPVTQPARFXKKE-GWCFXTLKSA-N -1 3 390.423 0.210 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001573605098 947524386 /nfs/dbraw/zinc/52/43/86/947524386.db2.gz YJNCPLSOPYJWJT-SMDDNHRTSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001573605098 947524390 /nfs/dbraw/zinc/52/43/90/947524390.db2.gz YJNCPLSOPYJWJT-SMDDNHRTSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573605156 947526241 /nfs/dbraw/zinc/52/62/41/947526241.db2.gz YUFAOPVIKCQLHF-LBPRGKRZSA-N -1 3 389.460 0.788 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573605156 947526248 /nfs/dbraw/zinc/52/62/48/947526248.db2.gz YUFAOPVIKCQLHF-LBPRGKRZSA-N -1 3 389.460 0.788 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000826171511 947536277 /nfs/dbraw/zinc/53/62/77/947536277.db2.gz PKMCDUZOYKPXCY-ZDUSSCGKSA-N -1 3 395.441 0.733 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000826171511 947536287 /nfs/dbraw/zinc/53/62/87/947536287.db2.gz PKMCDUZOYKPXCY-ZDUSSCGKSA-N -1 3 395.441 0.733 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573607170 947540286 /nfs/dbraw/zinc/54/02/86/947540286.db2.gz GJQVRVKJSAZZIB-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573607170 947540292 /nfs/dbraw/zinc/54/02/92/947540292.db2.gz GJQVRVKJSAZZIB-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000826174692 947542293 /nfs/dbraw/zinc/54/22/93/947542293.db2.gz GGOIMXNSMHTMLB-AWEZNQCLSA-N -1 3 394.391 0.786 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CN(c2ccccc2)C1=O ZINC000826174692 947542307 /nfs/dbraw/zinc/54/23/07/947542307.db2.gz GGOIMXNSMHTMLB-AWEZNQCLSA-N -1 3 394.391 0.786 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573607390 947546579 /nfs/dbraw/zinc/54/65/79/947546579.db2.gz MLEHBNZKGXMXCA-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573607390 947546586 /nfs/dbraw/zinc/54/65/86/947546586.db2.gz MLEHBNZKGXMXCA-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573607389 947547780 /nfs/dbraw/zinc/54/77/80/947547780.db2.gz MLEHBNZKGXMXCA-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573607389 947547785 /nfs/dbraw/zinc/54/77/85/947547785.db2.gz MLEHBNZKGXMXCA-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573608011 947555424 /nfs/dbraw/zinc/55/54/24/947555424.db2.gz UEDXJFGBEALPRS-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573608011 947555436 /nfs/dbraw/zinc/55/54/36/947555436.db2.gz UEDXJFGBEALPRS-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1)n1cncn1 ZINC001573613584 947564457 /nfs/dbraw/zinc/56/44/57/947564457.db2.gz CWFYAABOKYOQCA-YPMHNXCESA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1)n1cncn1 ZINC001573613584 947564468 /nfs/dbraw/zinc/56/44/68/947564468.db2.gz CWFYAABOKYOQCA-YPMHNXCESA-N -1 3 382.432 0.763 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000826185875 947569402 /nfs/dbraw/zinc/56/94/02/947569402.db2.gz WSAWRXLHCPTVML-JTQLQIEISA-N -1 3 395.445 0.373 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000826185875 947569410 /nfs/dbraw/zinc/56/94/10/947569410.db2.gz WSAWRXLHCPTVML-JTQLQIEISA-N -1 3 395.445 0.373 20 0 GCADHM COc1ccc(C(=O)NCC(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000826187147 947571139 /nfs/dbraw/zinc/57/11/39/947571139.db2.gz BYCXEGGSXHITDJ-UHFFFAOYSA-N -1 3 397.395 0.655 20 0 GCADHM COc1ccc(C(=O)NCC(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000826187147 947571146 /nfs/dbraw/zinc/57/11/46/947571146.db2.gz BYCXEGGSXHITDJ-UHFFFAOYSA-N -1 3 397.395 0.655 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573613902 947573047 /nfs/dbraw/zinc/57/30/47/947573047.db2.gz BKNCZPORJGMQQE-STQMWFEESA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573613902 947573050 /nfs/dbraw/zinc/57/30/50/947573050.db2.gz BKNCZPORJGMQQE-STQMWFEESA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1)n1cncn1 ZINC001573613851 947573080 /nfs/dbraw/zinc/57/30/80/947573080.db2.gz JPJMKLGRTXCNBN-YPMHNXCESA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1)n1cncn1 ZINC001573613851 947573088 /nfs/dbraw/zinc/57/30/88/947573088.db2.gz JPJMKLGRTXCNBN-YPMHNXCESA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1)n1cncn1 ZINC001573613844 947573100 /nfs/dbraw/zinc/57/31/00/947573100.db2.gz JPJMKLGRTXCNBN-AAEUAGOBSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1)n1cncn1 ZINC001573613844 947573107 /nfs/dbraw/zinc/57/31/07/947573107.db2.gz JPJMKLGRTXCNBN-AAEUAGOBSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573614446 947586533 /nfs/dbraw/zinc/58/65/33/947586533.db2.gz FGVZYJNSIMWRBA-GFCCVEGCSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573614446 947586538 /nfs/dbraw/zinc/58/65/38/947586538.db2.gz FGVZYJNSIMWRBA-GFCCVEGCSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573614896 947596397 /nfs/dbraw/zinc/59/63/97/947596397.db2.gz BLDPQFLXCPQFGA-NWDGAFQWSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573614896 947596402 /nfs/dbraw/zinc/59/64/02/947596402.db2.gz BLDPQFLXCPQFGA-NWDGAFQWSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573615389 947604685 /nfs/dbraw/zinc/60/46/85/947604685.db2.gz DRFKSCFZZXUKRP-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573615389 947604694 /nfs/dbraw/zinc/60/46/94/947604694.db2.gz DRFKSCFZZXUKRP-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573615388 947605112 /nfs/dbraw/zinc/60/51/12/947605112.db2.gz DRFKSCFZZXUKRP-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573615388 947605117 /nfs/dbraw/zinc/60/51/17/947605117.db2.gz DRFKSCFZZXUKRP-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573615783 947612178 /nfs/dbraw/zinc/61/21/78/947612178.db2.gz KLXZEQLEQAYYOA-NEPJUHHUSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573615783 947612184 /nfs/dbraw/zinc/61/21/84/947612184.db2.gz KLXZEQLEQAYYOA-NEPJUHHUSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573616416 947620988 /nfs/dbraw/zinc/62/09/88/947620988.db2.gz IMEFISQFGAHZEN-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573616416 947620996 /nfs/dbraw/zinc/62/09/96/947620996.db2.gz IMEFISQFGAHZEN-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CCC(CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001573616512 947623221 /nfs/dbraw/zinc/62/32/21/947623221.db2.gz JDBCDLNAPMNJKW-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC(CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001573616512 947623233 /nfs/dbraw/zinc/62/32/33/947623233.db2.gz JDBCDLNAPMNJKW-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM COc1cccc(C(=O)NCC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826213998 947625685 /nfs/dbraw/zinc/62/56/85/947625685.db2.gz WAQPXSMLMGFYIF-UHFFFAOYSA-N -1 3 396.411 0.228 20 0 GCADHM COc1cccc(C(=O)NCC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826213998 947625696 /nfs/dbraw/zinc/62/56/96/947625696.db2.gz WAQPXSMLMGFYIF-UHFFFAOYSA-N -1 3 396.411 0.228 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573616881 947629880 /nfs/dbraw/zinc/62/98/80/947629880.db2.gz JSAZRTBINALHOS-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573616881 947629884 /nfs/dbraw/zinc/62/98/84/947629884.db2.gz JSAZRTBINALHOS-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC001573355061 947638088 /nfs/dbraw/zinc/63/80/88/947638088.db2.gz LOEDHNDWSAGLNW-CQSZACIVSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC001573355061 947638091 /nfs/dbraw/zinc/63/80/91/947638091.db2.gz LOEDHNDWSAGLNW-CQSZACIVSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573617534 947638538 /nfs/dbraw/zinc/63/85/38/947638538.db2.gz LZWAEEBEDFGAIW-WCQYABFASA-N -1 3 385.407 0.896 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573617534 947638542 /nfs/dbraw/zinc/63/85/42/947638542.db2.gz LZWAEEBEDFGAIW-WCQYABFASA-N -1 3 385.407 0.896 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573617729 947640183 /nfs/dbraw/zinc/64/01/83/947640183.db2.gz MRJFNZYAXJOTGW-RYUDHWBXSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573617729 947640192 /nfs/dbraw/zinc/64/01/92/947640192.db2.gz MRJFNZYAXJOTGW-RYUDHWBXSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCO1 ZINC001573617967 947644999 /nfs/dbraw/zinc/64/49/99/947644999.db2.gz NWEJXLDPDKTCPH-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCO1 ZINC001573617967 947645008 /nfs/dbraw/zinc/64/50/08/947645008.db2.gz NWEJXLDPDKTCPH-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573617984 947645804 /nfs/dbraw/zinc/64/58/04/947645804.db2.gz OCDFGOPKPGLHQK-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573617984 947645814 /nfs/dbraw/zinc/64/58/14/947645814.db2.gz OCDFGOPKPGLHQK-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573618040 947646217 /nfs/dbraw/zinc/64/62/17/947646217.db2.gz PFYMRRLJORWBTG-SWLSCSKDSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573618040 947646221 /nfs/dbraw/zinc/64/62/21/947646221.db2.gz PFYMRRLJORWBTG-SWLSCSKDSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573618763 947655522 /nfs/dbraw/zinc/65/55/22/947655522.db2.gz RYFTUJXYCOOUBP-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573618763 947655529 /nfs/dbraw/zinc/65/55/29/947655529.db2.gz RYFTUJXYCOOUBP-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826223652 947658805 /nfs/dbraw/zinc/65/88/05/947658805.db2.gz VBHOGXYSXZCHAK-QWRGUYRKSA-N -1 3 376.446 0.644 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826223652 947658813 /nfs/dbraw/zinc/65/88/13/947658813.db2.gz VBHOGXYSXZCHAK-QWRGUYRKSA-N -1 3 376.446 0.644 20 0 GCADHM CS(=O)(=O)Nc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826223826 947659481 /nfs/dbraw/zinc/65/94/81/947659481.db2.gz BUQPEHYVJRAWBU-AWEZNQCLSA-N -1 3 388.409 0.910 20 0 GCADHM CS(=O)(=O)Nc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826223826 947659490 /nfs/dbraw/zinc/65/94/90/947659490.db2.gz BUQPEHYVJRAWBU-AWEZNQCLSA-N -1 3 388.409 0.910 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1nc2ccccn2c1-c1nnn[n-]1 ZINC000826223651 947660386 /nfs/dbraw/zinc/66/03/86/947660386.db2.gz VBHOGXYSXZCHAK-MNOVXSKESA-N -1 3 376.446 0.644 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNc1nc2ccccn2c1-c1nn[n-]n1 ZINC000826223651 947660390 /nfs/dbraw/zinc/66/03/90/947660390.db2.gz VBHOGXYSXZCHAK-MNOVXSKESA-N -1 3 376.446 0.644 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001573619596 947667182 /nfs/dbraw/zinc/66/71/82/947667182.db2.gz VYKDDTLQZWSEBN-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001573619596 947667184 /nfs/dbraw/zinc/66/71/84/947667184.db2.gz VYKDDTLQZWSEBN-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573620218 947679420 /nfs/dbraw/zinc/67/94/20/947679420.db2.gz ZICJFWUCXWCOTA-KZULUSFZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573620218 947679426 /nfs/dbraw/zinc/67/94/26/947679426.db2.gz ZICJFWUCXWCOTA-KZULUSFZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573622575 947680049 /nfs/dbraw/zinc/68/00/49/947680049.db2.gz BBXVZFITYPCRPS-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573622575 947680054 /nfs/dbraw/zinc/68/00/54/947680054.db2.gz BBXVZFITYPCRPS-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCN1S(C)(=O)=O ZINC000826232373 947680470 /nfs/dbraw/zinc/68/04/70/947680470.db2.gz GNTVTRKZFCXZCH-VIFPVBQESA-N -1 3 383.409 0.503 20 0 GCADHM C[C@H]1CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCN1S(C)(=O)=O ZINC000826232373 947680478 /nfs/dbraw/zinc/68/04/78/947680478.db2.gz GNTVTRKZFCXZCH-VIFPVBQESA-N -1 3 383.409 0.503 20 0 GCADHM C/C(=C/C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573359358 947684820 /nfs/dbraw/zinc/68/48/20/947684820.db2.gz ZUEJHSACNLXSHT-FLIBITNWSA-N -1 3 375.408 0.990 20 0 GCADHM C/C(=C/C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573359358 947684823 /nfs/dbraw/zinc/68/48/23/947684823.db2.gz ZUEJHSACNLXSHT-FLIBITNWSA-N -1 3 375.408 0.990 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccnn1C ZINC001573623564 947688538 /nfs/dbraw/zinc/68/85/38/947688538.db2.gz GPAXBONPDUFAAA-QWRGUYRKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccnn1C ZINC001573623564 947688543 /nfs/dbraw/zinc/68/85/43/947688543.db2.gz GPAXBONPDUFAAA-QWRGUYRKSA-N -1 3 383.416 0.063 20 0 GCADHM Cc1c(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nnn1C ZINC000826234931 947690477 /nfs/dbraw/zinc/69/04/77/947690477.db2.gz VEELSWVHWRBGQB-CYBMUJFWSA-N -1 3 382.384 0.656 20 0 GCADHM Cc1c(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nnn1C ZINC000826234931 947690486 /nfs/dbraw/zinc/69/04/86/947690486.db2.gz VEELSWVHWRBGQB-CYBMUJFWSA-N -1 3 382.384 0.656 20 0 GCADHM Cc1c(CCC(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000826236636 947691991 /nfs/dbraw/zinc/69/19/91/947691991.db2.gz VRBGITOIAPSHAX-UHFFFAOYSA-N -1 3 383.412 0.701 20 0 GCADHM Cc1c(CCC(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826236636 947691999 /nfs/dbraw/zinc/69/19/99/947691999.db2.gz VRBGITOIAPSHAX-UHFFFAOYSA-N -1 3 383.412 0.701 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573624791 947696578 /nfs/dbraw/zinc/69/65/78/947696578.db2.gz LWYKOYINAZYRBB-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573624791 947696590 /nfs/dbraw/zinc/69/65/90/947696590.db2.gz LWYKOYINAZYRBB-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573625202 947698067 /nfs/dbraw/zinc/69/80/67/947698067.db2.gz NUUCBQZUDIOUCI-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573625202 947698073 /nfs/dbraw/zinc/69/80/73/947698073.db2.gz NUUCBQZUDIOUCI-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM C/C(=C\C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573361866 947699008 /nfs/dbraw/zinc/69/90/08/947699008.db2.gz GANKCGXGLVBXRQ-VEGGFIAOSA-N -1 3 385.428 0.244 20 0 GCADHM C/C(=C\C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573361866 947699013 /nfs/dbraw/zinc/69/90/13/947699013.db2.gz GANKCGXGLVBXRQ-VEGGFIAOSA-N -1 3 385.428 0.244 20 0 GCADHM C/C(=C\C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573361865 947699407 /nfs/dbraw/zinc/69/94/07/947699407.db2.gz GANKCGXGLVBXRQ-MZEUMTGBSA-N -1 3 385.428 0.244 20 0 GCADHM C/C(=C\C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573361865 947699415 /nfs/dbraw/zinc/69/94/15/947699415.db2.gz GANKCGXGLVBXRQ-MZEUMTGBSA-N -1 3 385.428 0.244 20 0 GCADHM C/C(=C\C(=O)N1C[C@@H]2C(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1)C1CC1 ZINC001573363386 947710485 /nfs/dbraw/zinc/71/04/85/947710485.db2.gz NPTQDBCMJASUOF-AXDBCIKTSA-N -1 3 381.440 0.985 20 0 GCADHM C/C(=C\C(=O)N1C[C@@H]2C(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1)C1CC1 ZINC001573363386 947710488 /nfs/dbraw/zinc/71/04/88/947710488.db2.gz NPTQDBCMJASUOF-AXDBCIKTSA-N -1 3 381.440 0.985 20 0 GCADHM C/C(=C/C(=O)NCC1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]12)C1CC1 ZINC001573364618 947722964 /nfs/dbraw/zinc/72/29/64/947722964.db2.gz RMVZEVWPWBIIHL-ZZHVFFEMSA-N -1 3 381.440 0.985 20 0 GCADHM C/C(=C/C(=O)NCC1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]12)C1CC1 ZINC001573364618 947722969 /nfs/dbraw/zinc/72/29/69/947722969.db2.gz RMVZEVWPWBIIHL-ZZHVFFEMSA-N -1 3 381.440 0.985 20 0 GCADHM C/C(=C/C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C1CC1 ZINC001573364857 947724376 /nfs/dbraw/zinc/72/43/76/947724376.db2.gz RRJWQHVAFVPGIZ-OWBHPGMISA-N -1 3 382.472 0.856 20 0 GCADHM C/C(=C/C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C1CC1 ZINC001573364857 947724384 /nfs/dbraw/zinc/72/43/84/947724384.db2.gz RRJWQHVAFVPGIZ-OWBHPGMISA-N -1 3 382.472 0.856 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573627668 947728663 /nfs/dbraw/zinc/72/86/63/947728663.db2.gz DPOJWGMBUXCRLL-GXTWGEPZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573627668 947728666 /nfs/dbraw/zinc/72/86/66/947728666.db2.gz DPOJWGMBUXCRLL-GXTWGEPZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573628090 947746498 /nfs/dbraw/zinc/74/64/98/947746498.db2.gz ILDNALQSKIRUAG-TZMCWYRMSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573628090 947746506 /nfs/dbraw/zinc/74/65/06/947746506.db2.gz ILDNALQSKIRUAG-TZMCWYRMSA-N -1 3 382.432 0.907 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573367263 947757023 /nfs/dbraw/zinc/75/70/23/947757023.db2.gz BFVSFMCCTDRRHQ-RISCZKNCSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573367263 947757031 /nfs/dbraw/zinc/75/70/31/947757031.db2.gz BFVSFMCCTDRRHQ-RISCZKNCSA-N -1 3 387.444 0.778 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573628718 947763023 /nfs/dbraw/zinc/76/30/23/947763023.db2.gz NRTVITQAFGBRQP-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573628718 947763033 /nfs/dbraw/zinc/76/30/33/947763033.db2.gz NRTVITQAFGBRQP-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573367907 947765012 /nfs/dbraw/zinc/76/50/12/947765012.db2.gz ISZXVGXJEHJNRW-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573367907 947765017 /nfs/dbraw/zinc/76/50/17/947765017.db2.gz ISZXVGXJEHJNRW-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573368368 947769470 /nfs/dbraw/zinc/76/94/70/947769470.db2.gz NMSBUDGSEAZANQ-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573368368 947769477 /nfs/dbraw/zinc/76/94/77/947769477.db2.gz NMSBUDGSEAZANQ-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573630737 947794041 /nfs/dbraw/zinc/79/40/41/947794041.db2.gz RWDLBFNRRHUURB-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573630737 947794047 /nfs/dbraw/zinc/79/40/47/947794047.db2.gz RWDLBFNRRHUURB-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573630735 947795584 /nfs/dbraw/zinc/79/55/84/947795584.db2.gz RWDLBFNRRHUURB-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573630735 947795590 /nfs/dbraw/zinc/79/55/90/947795590.db2.gz RWDLBFNRRHUURB-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(CCC(N)=O)CC1 ZINC000826277254 947799272 /nfs/dbraw/zinc/79/92/72/947799272.db2.gz OWXRPGITBGQZTP-UHFFFAOYSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(CCC(N)=O)CC1 ZINC000826277254 947799277 /nfs/dbraw/zinc/79/92/77/947799277.db2.gz OWXRPGITBGQZTP-UHFFFAOYSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1ccc(CO)cc1 ZINC000826277169 947799596 /nfs/dbraw/zinc/79/95/96/947799596.db2.gz LRMBMYTZFGGDOS-UHFFFAOYSA-N -1 3 380.408 0.965 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1ccc(CO)cc1 ZINC000826277169 947799604 /nfs/dbraw/zinc/79/96/04/947799604.db2.gz LRMBMYTZFGGDOS-UHFFFAOYSA-N -1 3 380.408 0.965 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573631489 947801646 /nfs/dbraw/zinc/80/16/46/947801646.db2.gz VMXHKTVNRKJJND-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573631489 947801650 /nfs/dbraw/zinc/80/16/50/947801650.db2.gz VMXHKTVNRKJJND-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573374698 947811389 /nfs/dbraw/zinc/81/13/89/947811389.db2.gz LENATCBJUXCEID-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573374698 947811397 /nfs/dbraw/zinc/81/13/97/947811397.db2.gz LENATCBJUXCEID-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)n1cccn1 ZINC001573637388 947813457 /nfs/dbraw/zinc/81/34/57/947813457.db2.gz BKLJTRBBDBNNKB-GFCCVEGCSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)n1cccn1 ZINC001573637388 947813460 /nfs/dbraw/zinc/81/34/60/947813460.db2.gz BKLJTRBBDBNNKB-GFCCVEGCSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@@H](C(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)n1cncn1 ZINC001573637472 947815581 /nfs/dbraw/zinc/81/55/81/947815581.db2.gz FGSCWCUOKLTZHD-LBPRGKRZSA-N -1 3 387.473 0.815 20 0 GCADHM C[C@@H](C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)n1cncn1 ZINC001573637472 947815590 /nfs/dbraw/zinc/81/55/90/947815590.db2.gz FGSCWCUOKLTZHD-LBPRGKRZSA-N -1 3 387.473 0.815 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccn1 ZINC001573637600 947818781 /nfs/dbraw/zinc/81/87/81/947818781.db2.gz JWRAMWMQSALCBQ-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccn1 ZINC001573637600 947818788 /nfs/dbraw/zinc/81/87/88/947818788.db2.gz JWRAMWMQSALCBQ-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccn1 ZINC001573637820 947825490 /nfs/dbraw/zinc/82/54/90/947825490.db2.gz RNPBAVYPABSJSK-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccn1 ZINC001573637820 947825503 /nfs/dbraw/zinc/82/55/03/947825503.db2.gz RNPBAVYPABSJSK-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](C(=O)N1CCCN(Cc2cccc(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC001573637754 947825567 /nfs/dbraw/zinc/82/55/67/947825567.db2.gz PGNZTBQOHHRJCT-ZDUSSCGKSA-N -1 3 392.485 0.334 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)n1cncn1 ZINC001573637863 947826488 /nfs/dbraw/zinc/82/64/88/947826488.db2.gz SNVSDCADQZIMIE-LLVKDONJSA-N -1 3 386.395 0.292 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)n1cncn1 ZINC001573637863 947826493 /nfs/dbraw/zinc/82/64/93/947826493.db2.gz SNVSDCADQZIMIE-LLVKDONJSA-N -1 3 386.395 0.292 20 0 GCADHM C[C@H](C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573637900 947826511 /nfs/dbraw/zinc/82/65/11/947826511.db2.gz VHEGELFPCKPBIS-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573637900 947826522 /nfs/dbraw/zinc/82/65/22/947826522.db2.gz VHEGELFPCKPBIS-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573376210 947832592 /nfs/dbraw/zinc/83/25/92/947832592.db2.gz UDBNWZYVOCYFRB-SFHVURJKSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573376210 947832602 /nfs/dbraw/zinc/83/26/02/947832602.db2.gz UDBNWZYVOCYFRB-SFHVURJKSA-N -1 3 387.444 0.469 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cccnc1 ZINC001573638081 947832701 /nfs/dbraw/zinc/83/27/01/947832701.db2.gz BZTXCBZFASDCCN-LBPRGKRZSA-N -1 3 380.412 0.678 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cccnc1 ZINC001573638081 947832714 /nfs/dbraw/zinc/83/27/14/947832714.db2.gz BZTXCBZFASDCCN-LBPRGKRZSA-N -1 3 380.412 0.678 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573376940 947846937 /nfs/dbraw/zinc/84/69/37/947846937.db2.gz FWOQIVUDEKPZLC-WDEREUQCSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573376940 947846939 /nfs/dbraw/zinc/84/69/39/947846939.db2.gz FWOQIVUDEKPZLC-WDEREUQCSA-N -1 3 375.433 0.967 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)[C@@H]1CCCO1 ZINC001573639750 947848908 /nfs/dbraw/zinc/84/89/08/947848908.db2.gz CEYYHYLWAZRSCR-RISCZKNCSA-N -1 3 375.408 0.865 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)[C@@H]1CCCO1 ZINC001573639750 947848916 /nfs/dbraw/zinc/84/89/16/947848916.db2.gz CEYYHYLWAZRSCR-RISCZKNCSA-N -1 3 375.408 0.865 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573377433 947851098 /nfs/dbraw/zinc/85/10/98/947851098.db2.gz OKPQSRBROXDNBG-IUODEOHRSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573377433 947851105 /nfs/dbraw/zinc/85/11/05/947851105.db2.gz OKPQSRBROXDNBG-IUODEOHRSA-N -1 3 385.428 0.627 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573641260 947856585 /nfs/dbraw/zinc/85/65/85/947856585.db2.gz LXYAIFLNGLWHCF-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573641260 947856591 /nfs/dbraw/zinc/85/65/91/947856591.db2.gz LXYAIFLNGLWHCF-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573380527 947860934 /nfs/dbraw/zinc/86/09/34/947860934.db2.gz DUGQSDSEXYJZQU-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573380527 947860938 /nfs/dbraw/zinc/86/09/38/947860938.db2.gz DUGQSDSEXYJZQU-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cccc1 ZINC001573642527 947861094 /nfs/dbraw/zinc/86/10/94/947861094.db2.gz QQVYUNOFXMDHRR-ZFWWWQNUSA-N -1 3 382.428 0.964 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cccc1 ZINC001573642527 947861104 /nfs/dbraw/zinc/86/11/04/947861104.db2.gz QQVYUNOFXMDHRR-ZFWWWQNUSA-N -1 3 382.428 0.964 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573380545 947861581 /nfs/dbraw/zinc/86/15/81/947861581.db2.gz FCNZTKVKDJFGCY-ZFWWWQNUSA-N -1 3 390.419 0.821 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573380545 947861583 /nfs/dbraw/zinc/86/15/83/947861583.db2.gz FCNZTKVKDJFGCY-ZFWWWQNUSA-N -1 3 390.419 0.821 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCC3)c1-c1nnn[n-]1 ZINC000826298760 947864996 /nfs/dbraw/zinc/86/49/96/947864996.db2.gz GRBMCQUXBPVEPW-JTQLQIEISA-N -1 3 381.400 0.529 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCC3)c1-c1nn[n-]n1 ZINC000826298760 947865006 /nfs/dbraw/zinc/86/50/06/947865006.db2.gz GRBMCQUXBPVEPW-JTQLQIEISA-N -1 3 381.400 0.529 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001573380848 947865197 /nfs/dbraw/zinc/86/51/97/947865197.db2.gz IJUDWAZNIYXLKH-LSDHHAIUSA-N -1 3 387.444 0.385 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001573380848 947865201 /nfs/dbraw/zinc/86/52/01/947865201.db2.gz IJUDWAZNIYXLKH-LSDHHAIUSA-N -1 3 387.444 0.385 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1F ZINC000826298634 947865465 /nfs/dbraw/zinc/86/54/65/947865465.db2.gz BHBMXKCYNOKNSG-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1F ZINC000826298634 947865471 /nfs/dbraw/zinc/86/54/71/947865471.db2.gz BHBMXKCYNOKNSG-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM CC(=O)CCCC(=O)NCC1(O)CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573381483 947875194 /nfs/dbraw/zinc/87/51/94/947875194.db2.gz WBWBEMCVERGPGR-UHFFFAOYSA-N -1 3 390.419 0.428 20 0 GCADHM CC(=O)CCCC(=O)NCC1(O)CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573381483 947875202 /nfs/dbraw/zinc/87/52/02/947875202.db2.gz WBWBEMCVERGPGR-UHFFFAOYSA-N -1 3 390.419 0.428 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001573646788 947881010 /nfs/dbraw/zinc/88/10/10/947881010.db2.gz VKFFEHCFYLRBQI-KCQAQPDRSA-N -1 3 379.428 0.757 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001573646788 947881023 /nfs/dbraw/zinc/88/10/23/947881023.db2.gz VKFFEHCFYLRBQI-KCQAQPDRSA-N -1 3 379.428 0.757 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001573383169 947889334 /nfs/dbraw/zinc/88/93/34/947889334.db2.gz OJTNCVISKVMWTB-HZPDHXFCSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O ZINC001573383169 947889343 /nfs/dbraw/zinc/88/93/43/947889343.db2.gz OJTNCVISKVMWTB-HZPDHXFCSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001573383192 947889814 /nfs/dbraw/zinc/88/98/14/947889814.db2.gz PCQWQFJNBFDAIS-CVEARBPZSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573383192 947889820 /nfs/dbraw/zinc/88/98/20/947889820.db2.gz PCQWQFJNBFDAIS-CVEARBPZSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001573383494 947892831 /nfs/dbraw/zinc/89/28/31/947892831.db2.gz TVPBRRMMMLXUKV-OAHLLOKOSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001573383494 947892839 /nfs/dbraw/zinc/89/28/39/947892839.db2.gz TVPBRRMMMLXUKV-OAHLLOKOSA-N -1 3 387.444 0.733 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573647476 947894130 /nfs/dbraw/zinc/89/41/30/947894130.db2.gz MHBQGAHERUUCKT-LALPHHSUSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573647476 947894138 /nfs/dbraw/zinc/89/41/38/947894138.db2.gz MHBQGAHERUUCKT-LALPHHSUSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647743 947900878 /nfs/dbraw/zinc/90/08/78/947900878.db2.gz SQOGCUOONQXVLT-WVZRYYJFSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647743 947900885 /nfs/dbraw/zinc/90/08/85/947900885.db2.gz SQOGCUOONQXVLT-WVZRYYJFSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573648434 947907977 /nfs/dbraw/zinc/90/79/77/947907977.db2.gz ZTGUQXBIYLVFMF-UHIISALHSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573648434 947907988 /nfs/dbraw/zinc/90/79/88/947907988.db2.gz ZTGUQXBIYLVFMF-UHIISALHSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573650406 947910461 /nfs/dbraw/zinc/91/04/61/947910461.db2.gz BHEPAOVJQVRPIB-YZOIGVHSSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573650406 947910471 /nfs/dbraw/zinc/91/04/71/947910471.db2.gz BHEPAOVJQVRPIB-YZOIGVHSSA-N -1 3 392.423 0.580 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573387583 947910768 /nfs/dbraw/zinc/91/07/68/947910768.db2.gz CLVNBENDNYCYJB-UHFFFAOYSA-N -1 3 378.412 0.164 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573387583 947910779 /nfs/dbraw/zinc/91/07/79/947910779.db2.gz CLVNBENDNYCYJB-UHFFFAOYSA-N -1 3 378.412 0.164 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001573387828 947912421 /nfs/dbraw/zinc/91/24/21/947912421.db2.gz DTXUAXFEDIWBTM-LDYMZIIASA-N -1 3 378.462 0.511 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C[C@@H]1C ZINC001573387827 947913112 /nfs/dbraw/zinc/91/31/12/947913112.db2.gz DTXUAXFEDIWBTM-KWQFWETISA-N -1 3 378.462 0.511 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573388134 947914770 /nfs/dbraw/zinc/91/47/70/947914770.db2.gz IHGILZFQRZWPHS-UHFFFAOYSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573388134 947914775 /nfs/dbraw/zinc/91/47/75/947914775.db2.gz IHGILZFQRZWPHS-UHFFFAOYSA-N -1 3 386.460 0.476 20 0 GCADHM Cc1ccnc(NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1-c1nnn[n-]1 ZINC000826314018 947915143 /nfs/dbraw/zinc/91/51/43/947915143.db2.gz BXSZIHAJKPRDTR-UHFFFAOYSA-N -1 3 392.423 0.754 20 0 GCADHM Cc1ccnc(NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1-c1nn[n-]n1 ZINC000826314018 947915151 /nfs/dbraw/zinc/91/51/51/947915151.db2.gz BXSZIHAJKPRDTR-UHFFFAOYSA-N -1 3 392.423 0.754 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573388299 947918198 /nfs/dbraw/zinc/91/81/98/947918198.db2.gz KMWWFVKRBSBGQV-OAHLLOKOSA-N -1 3 389.435 0.517 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573388299 947918202 /nfs/dbraw/zinc/91/82/02/947918202.db2.gz KMWWFVKRBSBGQV-OAHLLOKOSA-N -1 3 389.435 0.517 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CCN(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573388596 947918981 /nfs/dbraw/zinc/91/89/81/947918981.db2.gz MJONKYIBLPEILK-UHFFFAOYSA-N -1 3 377.424 0.374 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(F)F ZINC001573651285 947919729 /nfs/dbraw/zinc/91/97/29/947919729.db2.gz KYOSCRCWAVPUPB-UTLUCORTSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(F)F ZINC001573651285 947919737 /nfs/dbraw/zinc/91/97/37/947919737.db2.gz KYOSCRCWAVPUPB-UTLUCORTSA-N -1 3 379.371 0.911 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573388602 947920382 /nfs/dbraw/zinc/92/03/82/947920382.db2.gz MNSVPTXMXDUTTE-DGCLKSJQSA-N -1 3 389.435 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573388602 947920386 /nfs/dbraw/zinc/92/03/86/947920386.db2.gz MNSVPTXMXDUTTE-DGCLKSJQSA-N -1 3 389.435 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573388702 947920435 /nfs/dbraw/zinc/92/04/35/947920435.db2.gz NWRUWEHYNNIPHO-CABZTGNLSA-N -1 3 392.489 0.616 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573388732 947922285 /nfs/dbraw/zinc/92/22/85/947922285.db2.gz OKOHBCLKIFIYQK-UHFFFAOYSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573388732 947922288 /nfs/dbraw/zinc/92/22/88/947922288.db2.gz OKOHBCLKIFIYQK-UHFFFAOYSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573651938 947925236 /nfs/dbraw/zinc/92/52/36/947925236.db2.gz RCQFCZQSYWORMH-XBFCOCLRSA-N -1 3 380.412 0.683 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573651938 947925243 /nfs/dbraw/zinc/92/52/43/947925243.db2.gz RCQFCZQSYWORMH-XBFCOCLRSA-N -1 3 380.412 0.683 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573389572 947926543 /nfs/dbraw/zinc/92/65/43/947926543.db2.gz TWDYCWRBDJEART-UHFFFAOYSA-N -1 3 375.408 0.885 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573389572 947926546 /nfs/dbraw/zinc/92/65/46/947926546.db2.gz TWDYCWRBDJEART-UHFFFAOYSA-N -1 3 375.408 0.885 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC001573652021 947926852 /nfs/dbraw/zinc/92/68/52/947926852.db2.gz UNLWEJUTKCIGMS-RCBQFDQVSA-N -1 3 379.428 0.505 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001573652023 947927186 /nfs/dbraw/zinc/92/71/86/947927186.db2.gz UNQQPLYSLILTIX-DJOIZQNCSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001573652023 947927188 /nfs/dbraw/zinc/92/71/88/947927188.db2.gz UNQQPLYSLILTIX-DJOIZQNCSA-N -1 3 385.428 0.197 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573390644 947929407 /nfs/dbraw/zinc/92/94/07/947929407.db2.gz ZQHPFPNQVDJWRH-ZYHUDNBSSA-N -1 3 375.408 0.885 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573390644 947929415 /nfs/dbraw/zinc/92/94/15/947929415.db2.gz ZQHPFPNQVDJWRH-ZYHUDNBSSA-N -1 3 375.408 0.885 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1C ZINC001573390621 947929819 /nfs/dbraw/zinc/92/98/19/947929819.db2.gz ZASVATXXIGGVSM-BXKDBHETSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1C ZINC001573390621 947929827 /nfs/dbraw/zinc/92/98/27/947929827.db2.gz ZASVATXXIGGVSM-BXKDBHETSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1C ZINC001573390623 947930043 /nfs/dbraw/zinc/93/00/43/947930043.db2.gz ZASVATXXIGGVSM-JOYOIKCWSA-N -1 3 392.851 0.795 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1C ZINC001573390623 947930051 /nfs/dbraw/zinc/93/00/51/947930051.db2.gz ZASVATXXIGGVSM-JOYOIKCWSA-N -1 3 392.851 0.795 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573652301 947935087 /nfs/dbraw/zinc/93/50/87/947935087.db2.gz CDRXLJKOLISMLQ-CABZTGNLSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573652301 947935095 /nfs/dbraw/zinc/93/50/95/947935095.db2.gz CDRXLJKOLISMLQ-CABZTGNLSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573652394 947938646 /nfs/dbraw/zinc/93/86/46/947938646.db2.gz YWEMSKZNISBLLV-APAOZMKASA-N -1 3 381.396 0.778 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573652394 947938653 /nfs/dbraw/zinc/93/86/53/947938653.db2.gz YWEMSKZNISBLLV-APAOZMKASA-N -1 3 381.396 0.778 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573652597 947941719 /nfs/dbraw/zinc/94/17/19/947941719.db2.gz FAIMSAZCEXIWNL-NSHDSACASA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573652597 947941726 /nfs/dbraw/zinc/94/17/26/947941726.db2.gz FAIMSAZCEXIWNL-NSHDSACASA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)S(C)(=O)=O ZINC001573652588 947941747 /nfs/dbraw/zinc/94/17/47/947941747.db2.gz DXNUSKJPAYGAKU-TVQRCGJNSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)S(C)(=O)=O ZINC001573652588 947941754 /nfs/dbraw/zinc/94/17/54/947941754.db2.gz DXNUSKJPAYGAKU-TVQRCGJNSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573392166 947941988 /nfs/dbraw/zinc/94/19/88/947941988.db2.gz USDAFOYZLVSCDT-AWEZNQCLSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573392166 947941994 /nfs/dbraw/zinc/94/19/94/947941994.db2.gz USDAFOYZLVSCDT-AWEZNQCLSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001573392087 947942150 /nfs/dbraw/zinc/94/21/50/947942150.db2.gz ROEPFSSHZBFBIH-CQSZACIVSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001573392087 947942159 /nfs/dbraw/zinc/94/21/59/947942159.db2.gz ROEPFSSHZBFBIH-CQSZACIVSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573652596 947942560 /nfs/dbraw/zinc/94/25/60/947942560.db2.gz FAIMSAZCEXIWNL-LLVKDONJSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573652596 947942568 /nfs/dbraw/zinc/94/25/68/947942568.db2.gz FAIMSAZCEXIWNL-LLVKDONJSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)S(C)(=O)=O ZINC001573652589 947942742 /nfs/dbraw/zinc/94/27/42/947942742.db2.gz DXNUSKJPAYGAKU-ZANVPECISA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)S(C)(=O)=O ZINC001573652589 947942747 /nfs/dbraw/zinc/94/27/47/947942747.db2.gz DXNUSKJPAYGAKU-ZANVPECISA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573392116 947942696 /nfs/dbraw/zinc/94/26/96/947942696.db2.gz SOAFFPOQSJEJPI-HNNXBMFYSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573392116 947942703 /nfs/dbraw/zinc/94/27/03/947942703.db2.gz SOAFFPOQSJEJPI-HNNXBMFYSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573392225 947943991 /nfs/dbraw/zinc/94/39/91/947943991.db2.gz XRTITYBIUULEGW-GFCCVEGCSA-N -1 3 392.489 0.537 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573652657 947944076 /nfs/dbraw/zinc/94/40/76/947944076.db2.gz GACHPGKWYLPVMZ-CABZTGNLSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573652657 947944080 /nfs/dbraw/zinc/94/40/80/947944080.db2.gz GACHPGKWYLPVMZ-CABZTGNLSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573392221 947944092 /nfs/dbraw/zinc/94/40/92/947944092.db2.gz XGWNBTJZMRTVAU-LLVKDONJSA-N -1 3 378.462 0.513 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573392485 947948103 /nfs/dbraw/zinc/94/81/03/947948103.db2.gz BLNFQVWFXAZCLB-SFHVURJKSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573392485 947948112 /nfs/dbraw/zinc/94/81/12/947948112.db2.gz BLNFQVWFXAZCLB-SFHVURJKSA-N -1 3 384.444 0.169 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573652887 947948484 /nfs/dbraw/zinc/94/84/84/947948484.db2.gz HZGXDDKLWHFBIW-AAEUAGOBSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573653213 947953808 /nfs/dbraw/zinc/95/38/08/947953808.db2.gz JTMSMXLKYASLHV-NSHDSACASA-N -1 3 376.465 0.502 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573393152 947955439 /nfs/dbraw/zinc/95/54/39/947955439.db2.gz KEKQFRXMZXYQCP-OKILXGFUSA-N -1 3 384.444 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573393152 947955449 /nfs/dbraw/zinc/95/54/49/947955449.db2.gz KEKQFRXMZXYQCP-OKILXGFUSA-N -1 3 384.444 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573393391 947956804 /nfs/dbraw/zinc/95/68/04/947956804.db2.gz LIEJCYOQPBVNRI-HZMBPMFUSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573393391 947956810 /nfs/dbraw/zinc/95/68/10/947956810.db2.gz LIEJCYOQPBVNRI-HZMBPMFUSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573393560 947958632 /nfs/dbraw/zinc/95/86/32/947958632.db2.gz NJOKWMGDGHQOST-AWEZNQCLSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573393560 947958640 /nfs/dbraw/zinc/95/86/40/947958640.db2.gz NJOKWMGDGHQOST-AWEZNQCLSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(N(C)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573393557 947958682 /nfs/dbraw/zinc/95/86/82/947958682.db2.gz NGJHPTKFIWVAPP-UHFFFAOYSA-N -1 3 389.435 0.911 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(N(C)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573393557 947958689 /nfs/dbraw/zinc/95/86/89/947958689.db2.gz NGJHPTKFIWVAPP-UHFFFAOYSA-N -1 3 389.435 0.911 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573393668 947958975 /nfs/dbraw/zinc/95/89/75/947958975.db2.gz OTYHKMHMPNINET-AWEZNQCLSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573393668 947958982 /nfs/dbraw/zinc/95/89/82/947958982.db2.gz OTYHKMHMPNINET-AWEZNQCLSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573393620 947959067 /nfs/dbraw/zinc/95/90/67/947959067.db2.gz OHAFDYMYGDGFNH-DOMZBBRYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573393620 947959074 /nfs/dbraw/zinc/95/90/74/947959074.db2.gz OHAFDYMYGDGFNH-DOMZBBRYSA-N -1 3 386.460 0.779 20 0 GCADHM Cc1ncc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(N)n1 ZINC000826329382 947959815 /nfs/dbraw/zinc/95/98/15/947959815.db2.gz AJPKAVUKGJASNY-CQSZACIVSA-N -1 3 394.395 0.900 20 0 GCADHM Cc1ncc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(N)n1 ZINC000826329382 947959821 /nfs/dbraw/zinc/95/98/21/947959821.db2.gz AJPKAVUKGJASNY-CQSZACIVSA-N -1 3 394.395 0.900 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573393750 947961053 /nfs/dbraw/zinc/96/10/53/947961053.db2.gz PTRUMLLZPXHLOR-GFCCVEGCSA-N -1 3 392.489 0.760 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573394035 947962189 /nfs/dbraw/zinc/96/21/89/947962189.db2.gz RUICRZUKFQXZHA-IUODEOHRSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573394035 947962194 /nfs/dbraw/zinc/96/21/94/947962194.db2.gz RUICRZUKFQXZHA-IUODEOHRSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1C ZINC001573394047 947963120 /nfs/dbraw/zinc/96/31/20/947963120.db2.gz SBRWATRMUNQXSJ-FZMZJTMJSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1C ZINC001573394047 947963128 /nfs/dbraw/zinc/96/31/28/947963128.db2.gz SBRWATRMUNQXSJ-FZMZJTMJSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573394391 947964443 /nfs/dbraw/zinc/96/44/43/947964443.db2.gz SROGUGQFGRFNNQ-AWEZNQCLSA-N -1 3 386.460 0.333 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573394391 947964447 /nfs/dbraw/zinc/96/44/47/947964447.db2.gz SROGUGQFGRFNNQ-AWEZNQCLSA-N -1 3 386.460 0.333 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573394677 947966721 /nfs/dbraw/zinc/96/67/21/947966721.db2.gz UUGSZRPJGAFWQP-CQSZACIVSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573394677 947966724 /nfs/dbraw/zinc/96/67/24/947966724.db2.gz UUGSZRPJGAFWQP-CQSZACIVSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573394706 947967095 /nfs/dbraw/zinc/96/70/95/947967095.db2.gz VKAWNDHJSSZMKW-CQSZACIVSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573394706 947967105 /nfs/dbraw/zinc/96/71/05/947967105.db2.gz VKAWNDHJSSZMKW-CQSZACIVSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@](C)(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573395168 947967789 /nfs/dbraw/zinc/96/77/89/947967789.db2.gz XIULTPVRFUDKOF-QGZVFWFLSA-N -1 3 390.423 0.530 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@](C)(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573395168 947967800 /nfs/dbraw/zinc/96/78/00/947967800.db2.gz XIULTPVRFUDKOF-QGZVFWFLSA-N -1 3 390.423 0.530 20 0 GCADHM C[C@H](C(=O)N[C@@](C)(CNc1ncccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573654854 947972293 /nfs/dbraw/zinc/97/22/93/947972293.db2.gz UEJBPLHWCZHKFO-DIFFPNOSSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)N[C@@](C)(CNc1ncccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573654854 947972300 /nfs/dbraw/zinc/97/23/00/947972300.db2.gz UEJBPLHWCZHKFO-DIFFPNOSSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)N[C@](C)(CNc1ncccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573654856 947973112 /nfs/dbraw/zinc/97/31/12/947973112.db2.gz UEJBPLHWCZHKFO-PIGZYNQJSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)N[C@](C)(CNc1ncccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573654856 947973122 /nfs/dbraw/zinc/97/31/22/947973122.db2.gz UEJBPLHWCZHKFO-PIGZYNQJSA-N -1 3 382.432 0.811 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573395692 947973265 /nfs/dbraw/zinc/97/32/65/947973265.db2.gz ZTWUPVDKCHTCLN-CQSZACIVSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573395692 947973273 /nfs/dbraw/zinc/97/32/73/947973273.db2.gz ZTWUPVDKCHTCLN-CQSZACIVSA-N -1 3 386.460 0.699 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573655095 947975225 /nfs/dbraw/zinc/97/52/25/947975225.db2.gz VNTDYVFFUQSBKP-GFCCVEGCSA-N -1 3 388.476 0.646 20 0 GCADHM Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000826339576 947976265 /nfs/dbraw/zinc/97/62/65/947976265.db2.gz KEEKAFLPOBJJRS-LBPRGKRZSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1noc([C@@H]2COCCN2S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000826339576 947976274 /nfs/dbraw/zinc/97/62/74/947976274.db2.gz KEEKAFLPOBJJRS-LBPRGKRZSA-N -1 3 391.413 0.629 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573398146 947978606 /nfs/dbraw/zinc/97/86/06/947978606.db2.gz HFWYPRRLNOGAGZ-UHFFFAOYSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573398146 947978610 /nfs/dbraw/zinc/97/86/10/947978610.db2.gz HFWYPRRLNOGAGZ-UHFFFAOYSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1N(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573398542 947982627 /nfs/dbraw/zinc/98/26/27/947982627.db2.gz MLTOFNYAEXYVDN-KDOFPFPSSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1N(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573398542 947982632 /nfs/dbraw/zinc/98/26/32/947982632.db2.gz MLTOFNYAEXYVDN-KDOFPFPSSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573656206 947985723 /nfs/dbraw/zinc/98/57/23/947985723.db2.gz DKAPLGNRPIPZIA-YVEFUNNKSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)NC1(C)CCN(c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573656190 947986086 /nfs/dbraw/zinc/98/60/86/947986086.db2.gz DEQREQBYLBRDFD-LBPRGKRZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)NC1(C)CCN(c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573656190 947986091 /nfs/dbraw/zinc/98/60/91/947986091.db2.gz DEQREQBYLBRDFD-LBPRGKRZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)NC1(C)CCN(c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573656189 947986194 /nfs/dbraw/zinc/98/61/94/947986194.db2.gz DEQREQBYLBRDFD-GFCCVEGCSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)NC1(C)CCN(c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573656189 947986208 /nfs/dbraw/zinc/98/62/08/947986208.db2.gz DEQREQBYLBRDFD-GFCCVEGCSA-N -1 3 382.432 0.590 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573399013 947987751 /nfs/dbraw/zinc/98/77/51/947987751.db2.gz RYIUMMPAIQVGNA-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573399013 947987756 /nfs/dbraw/zinc/98/77/56/947987756.db2.gz RYIUMMPAIQVGNA-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573656804 947992405 /nfs/dbraw/zinc/99/24/05/947992405.db2.gz IFFDGFCIZJATAG-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573656804 947992412 /nfs/dbraw/zinc/99/24/12/947992412.db2.gz IFFDGFCIZJATAG-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573399333 947992633 /nfs/dbraw/zinc/99/26/33/947992633.db2.gz VMHYQJUBLACKED-YJBOKZPZSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573399333 947992639 /nfs/dbraw/zinc/99/26/39/947992639.db2.gz VMHYQJUBLACKED-YJBOKZPZSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CC(CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573399846 947996778 /nfs/dbraw/zinc/99/67/78/947996778.db2.gz ZNFFDRSWLYWTIA-UHFFFAOYSA-N -1 3 378.462 0.417 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573657119 947999307 /nfs/dbraw/zinc/99/93/07/947999307.db2.gz LCKUCZQELQXAGY-KPZWWZAWSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573657119 947999312 /nfs/dbraw/zinc/99/93/12/947999312.db2.gz LCKUCZQELQXAGY-KPZWWZAWSA-N -1 3 381.444 0.884 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573401825 948000481 /nfs/dbraw/zinc/00/04/81/948000481.db2.gz DBCMXMZTBJKCBL-ZFWWWQNUSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573401825 948000492 /nfs/dbraw/zinc/00/04/92/948000492.db2.gz DBCMXMZTBJKCBL-ZFWWWQNUSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573402359 948002262 /nfs/dbraw/zinc/00/22/62/948002262.db2.gz GDRNUSQJGGNSPH-BXKDBHETSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573402782 948004367 /nfs/dbraw/zinc/00/43/67/948004367.db2.gz IEPPYCHHFZYIRR-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573402782 948004373 /nfs/dbraw/zinc/00/43/73/948004373.db2.gz IEPPYCHHFZYIRR-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573657839 948005683 /nfs/dbraw/zinc/00/56/83/948005683.db2.gz PHIPDBVHTSGOJT-DIFFPNOSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573657839 948005690 /nfs/dbraw/zinc/00/56/90/948005690.db2.gz PHIPDBVHTSGOJT-DIFFPNOSSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573403039 948009365 /nfs/dbraw/zinc/00/93/65/948009365.db2.gz KSRSAIQCKDXUJA-NSHDSACASA-N -1 3 377.424 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573403734 948012815 /nfs/dbraw/zinc/01/28/15/948012815.db2.gz OAENSHNACAEMNP-KBPBESRZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573403734 948012822 /nfs/dbraw/zinc/01/28/22/948012822.db2.gz OAENSHNACAEMNP-KBPBESRZSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1)[C@H]1CCCO1 ZINC001573660097 948019046 /nfs/dbraw/zinc/01/90/46/948019046.db2.gz YSCZSZLGFCJJHD-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1)[C@H]1CCCO1 ZINC001573660097 948019055 /nfs/dbraw/zinc/01/90/55/948019055.db2.gz YSCZSZLGFCJJHD-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573404344 948021617 /nfs/dbraw/zinc/02/16/17/948021617.db2.gz SEAQXHSJLCGVLF-MFKMUULPSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573404344 948021629 /nfs/dbraw/zinc/02/16/29/948021629.db2.gz SEAQXHSJLCGVLF-MFKMUULPSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573404382 948022283 /nfs/dbraw/zinc/02/22/83/948022283.db2.gz SVDDPUBUDMZMKW-LLVKDONJSA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573404382 948022292 /nfs/dbraw/zinc/02/22/92/948022292.db2.gz SVDDPUBUDMZMKW-LLVKDONJSA-N -1 3 378.824 0.088 20 0 GCADHM C[C@@H](C(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573662035 948023626 /nfs/dbraw/zinc/02/36/26/948023626.db2.gz BAGWOSAQXNMODL-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573662035 948023633 /nfs/dbraw/zinc/02/36/33/948023633.db2.gz BAGWOSAQXNMODL-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404407 948024886 /nfs/dbraw/zinc/02/48/86/948024886.db2.gz CVUCDIAGBNCERQ-NSHDSACASA-N -1 3 378.462 0.052 20 0 GCADHM C[C@H](C(=O)NC1(CNc2ncccc2-c2nnn[n-]2)CCCC1)n1cncn1 ZINC001573662352 948025046 /nfs/dbraw/zinc/02/50/46/948025046.db2.gz BVZBLNTUBJGZFG-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@H](C(=O)NC1(CNc2ncccc2-c2nn[n-]n2)CCCC1)n1cncn1 ZINC001573662352 948025056 /nfs/dbraw/zinc/02/50/56/948025056.db2.gz BVZBLNTUBJGZFG-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404533 948025678 /nfs/dbraw/zinc/02/56/78/948025678.db2.gz UGSNLGHFINMYFM-VXGBXAGGSA-N -1 3 392.489 0.807 20 0 GCADHM Cc1onc(CC(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)c1-c1nnn[n-]1 ZINC000826345664 948029352 /nfs/dbraw/zinc/02/93/52/948029352.db2.gz QPKUKYOBMIGHHE-LLVKDONJSA-N -1 3 399.375 0.387 20 0 GCADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573663021 948030712 /nfs/dbraw/zinc/03/07/12/948030712.db2.gz IJCZVZQVQZLSEO-XGNXJENSSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573663021 948030720 /nfs/dbraw/zinc/03/07/20/948030720.db2.gz IJCZVZQVQZLSEO-XGNXJENSSA-N -1 3 382.428 0.977 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573404674 948030789 /nfs/dbraw/zinc/03/07/89/948030789.db2.gz JJCZRVPVOHMQEB-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573404674 948030798 /nfs/dbraw/zinc/03/07/98/948030798.db2.gz JJCZRVPVOHMQEB-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM Cc1onc(CC(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)c1-c1nnn[n-]1 ZINC000826345883 948030829 /nfs/dbraw/zinc/03/08/29/948030829.db2.gz XATRTNVMPSQDQN-ZDUSSCGKSA-N -1 3 389.460 0.855 20 0 GCADHM Cc1onc(CC(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)c1-c1nn[n-]n1 ZINC000826345883 948030832 /nfs/dbraw/zinc/03/08/32/948030832.db2.gz XATRTNVMPSQDQN-ZDUSSCGKSA-N -1 3 389.460 0.855 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573404675 948031102 /nfs/dbraw/zinc/03/11/02/948031102.db2.gz JJCZRVPVOHMQEB-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573404675 948031110 /nfs/dbraw/zinc/03/11/10/948031110.db2.gz JJCZRVPVOHMQEB-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573404951 948034980 /nfs/dbraw/zinc/03/49/80/948034980.db2.gz LYGKUVHDQTWZQG-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573404951 948034989 /nfs/dbraw/zinc/03/49/89/948034989.db2.gz LYGKUVHDQTWZQG-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573404952 948035076 /nfs/dbraw/zinc/03/50/76/948035076.db2.gz LYPFSPAEZKJJIR-AWEZNQCLSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573404952 948035085 /nfs/dbraw/zinc/03/50/85/948035085.db2.gz LYPFSPAEZKJJIR-AWEZNQCLSA-N -1 3 375.408 0.175 20 0 GCADHM C[C@@H](C(=O)NC1(CO)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001573663348 948036669 /nfs/dbraw/zinc/03/66/69/948036669.db2.gz LUKFELWQYLVURB-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC1(CO)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001573663348 948036678 /nfs/dbraw/zinc/03/66/78/948036678.db2.gz LUKFELWQYLVURB-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC1(CO)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001573663449 948036711 /nfs/dbraw/zinc/03/67/11/948036711.db2.gz LUKFELWQYLVURB-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC1(CO)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001573663449 948036716 /nfs/dbraw/zinc/03/67/16/948036716.db2.gz LUKFELWQYLVURB-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)NCCC1(CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573405269 948040867 /nfs/dbraw/zinc/04/08/67/948040867.db2.gz NTTXKVGDSHQVEG-UHFFFAOYSA-N -1 3 390.423 0.578 20 0 GCADHM CC(=O)N(C)CC(=O)NCCC1(CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573405269 948040875 /nfs/dbraw/zinc/04/08/75/948040875.db2.gz NTTXKVGDSHQVEG-UHFFFAOYSA-N -1 3 390.423 0.578 20 0 GCADHM C[C@@H](C(=O)NC1CCCCC1)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573663877 948042682 /nfs/dbraw/zinc/04/26/82/948042682.db2.gz BCZVMLDXRHZDEB-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@@H](C(=O)NC1CCCCC1)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573663877 948042690 /nfs/dbraw/zinc/04/26/90/948042690.db2.gz BCZVMLDXRHZDEB-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573405448 948042943 /nfs/dbraw/zinc/04/29/43/948042943.db2.gz QSAQATRXZDGBEB-UHFFFAOYSA-N -1 3 375.408 0.032 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573405448 948042954 /nfs/dbraw/zinc/04/29/54/948042954.db2.gz QSAQATRXZDGBEB-UHFFFAOYSA-N -1 3 375.408 0.032 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573664273 948050590 /nfs/dbraw/zinc/05/05/90/948050590.db2.gz SUNFNRSRWHHJMO-LEWSCRJBSA-N -1 3 384.444 0.151 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573664273 948050600 /nfs/dbraw/zinc/05/06/00/948050600.db2.gz SUNFNRSRWHHJMO-LEWSCRJBSA-N -1 3 384.444 0.151 20 0 GCADHM C[C@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573664351 948053005 /nfs/dbraw/zinc/05/30/05/948053005.db2.gz UCAFAKQLQIILNG-VOMCLLRMSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573664351 948053015 /nfs/dbraw/zinc/05/30/15/948053015.db2.gz UCAFAKQLQIILNG-VOMCLLRMSA-N -1 3 383.416 0.372 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573406546 948053998 /nfs/dbraw/zinc/05/39/98/948053998.db2.gz KFWWQSFJGFMYHZ-HAQNSBGRSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573406546 948054006 /nfs/dbraw/zinc/05/40/06/948054006.db2.gz KFWWQSFJGFMYHZ-HAQNSBGRSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](C(=O)NC1CCCCC1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573664553 948054709 /nfs/dbraw/zinc/05/47/09/948054709.db2.gz FQTMWHXOPNKHRX-LLVKDONJSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCCC1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573664553 948054716 /nfs/dbraw/zinc/05/47/16/948054716.db2.gz FQTMWHXOPNKHRX-LLVKDONJSA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573406564 948056091 /nfs/dbraw/zinc/05/60/91/948056091.db2.gz KWBSOZLSWOMVOK-XYPYZODXSA-N -1 3 378.462 0.417 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCO1 ZINC001573665058 948067933 /nfs/dbraw/zinc/06/79/33/948067933.db2.gz IBOABGWHBMBEOZ-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCO1 ZINC001573665058 948067939 /nfs/dbraw/zinc/06/79/39/948067939.db2.gz IBOABGWHBMBEOZ-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001573409482 948075930 /nfs/dbraw/zinc/07/59/30/948075930.db2.gz SJVMWIOCYNOHEY-KSSFIOAISA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001573409482 948075939 /nfs/dbraw/zinc/07/59/39/948075939.db2.gz SJVMWIOCYNOHEY-KSSFIOAISA-N -1 3 384.444 0.215 20 0 GCADHM Cc1onc(CC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1-c1nnn[n-]1 ZINC000826348648 948079089 /nfs/dbraw/zinc/07/90/89/948079089.db2.gz XEMBSCWJADXUSK-UHFFFAOYSA-N -1 3 384.400 0.505 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(C)(Nc3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573413618 948082569 /nfs/dbraw/zinc/08/25/69/948082569.db2.gz DTRJAEQWQFATQZ-UHFFFAOYSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573413618 948082581 /nfs/dbraw/zinc/08/25/81/948082581.db2.gz DTRJAEQWQFATQZ-UHFFFAOYSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@H](C(=O)NC1CCC(Nc2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573666240 948084163 /nfs/dbraw/zinc/08/41/63/948084163.db2.gz RKFNZPSYHXQUQP-PNESKVBLSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)NC1CCC(Nc2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573666240 948084176 /nfs/dbraw/zinc/08/41/76/948084176.db2.gz RKFNZPSYHXQUQP-PNESKVBLSA-N -1 3 382.432 0.954 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C(C)(C)C2)C1 ZINC001573413779 948085400 /nfs/dbraw/zinc/08/54/00/948085400.db2.gz GBSGBZDERSTCHB-OAHLLOKOSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C(C)(C)C2)C1 ZINC001573413779 948085411 /nfs/dbraw/zinc/08/54/11/948085411.db2.gz GBSGBZDERSTCHB-OAHLLOKOSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573413771 948086017 /nfs/dbraw/zinc/08/60/17/948086017.db2.gz GBIVBEKNVHZWKU-UHFFFAOYSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573413771 948086026 /nfs/dbraw/zinc/08/60/26/948086026.db2.gz GBIVBEKNVHZWKU-UHFFFAOYSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573413953 948087667 /nfs/dbraw/zinc/08/76/67/948087667.db2.gz HLFPOLHBPLDDBJ-UHFFFAOYSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573413953 948087679 /nfs/dbraw/zinc/08/76/79/948087679.db2.gz HLFPOLHBPLDDBJ-UHFFFAOYSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573414177 948091045 /nfs/dbraw/zinc/09/10/45/948091045.db2.gz IGISYVALJWXLLM-UHFFFAOYSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573414177 948091051 /nfs/dbraw/zinc/09/10/51/948091051.db2.gz IGISYVALJWXLLM-UHFFFAOYSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573414180 948091125 /nfs/dbraw/zinc/09/11/25/948091125.db2.gz IHBXQRQNYBIAEY-UHFFFAOYSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573414180 948091132 /nfs/dbraw/zinc/09/11/32/948091132.db2.gz IHBXQRQNYBIAEY-UHFFFAOYSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573666848 948092542 /nfs/dbraw/zinc/09/25/42/948092542.db2.gz WUNNIOBDNCBODW-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573666848 948092551 /nfs/dbraw/zinc/09/25/51/948092551.db2.gz WUNNIOBDNCBODW-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CCNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573414246 948092771 /nfs/dbraw/zinc/09/27/71/948092771.db2.gz LHJTXCRLWZZGDB-CYBMUJFWSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CCNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573414246 948092778 /nfs/dbraw/zinc/09/27/78/948092778.db2.gz LHJTXCRLWZZGDB-CYBMUJFWSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573414507 948096050 /nfs/dbraw/zinc/09/60/50/948096050.db2.gz NJIWFOLKSLKRBN-BMIGLBTASA-N -1 3 387.419 0.743 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573414507 948096060 /nfs/dbraw/zinc/09/60/60/948096060.db2.gz NJIWFOLKSLKRBN-BMIGLBTASA-N -1 3 387.419 0.743 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001573667478 948098726 /nfs/dbraw/zinc/09/87/26/948098726.db2.gz ZZAJYZPROFUSHO-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001573667478 948098733 /nfs/dbraw/zinc/09/87/33/948098733.db2.gz ZZAJYZPROFUSHO-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573414847 948098804 /nfs/dbraw/zinc/09/88/04/948098804.db2.gz QUOKCPWVJQSGBM-LBPRGKRZSA-N -1 3 390.473 0.513 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573414883 948098946 /nfs/dbraw/zinc/09/89/46/948098946.db2.gz RIFLYCMWEYYMOV-ZDUSSCGKSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573414883 948098954 /nfs/dbraw/zinc/09/89/54/948098954.db2.gz RIFLYCMWEYYMOV-ZDUSSCGKSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573415155 948101702 /nfs/dbraw/zinc/10/17/02/948101702.db2.gz UUPHEWUSAGIHOD-HNNXBMFYSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573415155 948101710 /nfs/dbraw/zinc/10/17/10/948101710.db2.gz UUPHEWUSAGIHOD-HNNXBMFYSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(CNc3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573415126 948101991 /nfs/dbraw/zinc/10/19/91/948101991.db2.gz TYLROQZTCOIGTP-UHFFFAOYSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(CNc3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573415126 948101999 /nfs/dbraw/zinc/10/19/99/948101999.db2.gz TYLROQZTCOIGTP-UHFFFAOYSA-N -1 3 384.444 0.391 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573670641 948104675 /nfs/dbraw/zinc/10/46/75/948104675.db2.gz CPCLHUSICIDXIS-YPMHNXCESA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573670641 948104680 /nfs/dbraw/zinc/10/46/80/948104680.db2.gz CPCLHUSICIDXIS-YPMHNXCESA-N -1 3 385.407 0.549 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573415305 948105861 /nfs/dbraw/zinc/10/58/61/948105861.db2.gz WYGWXXSQRSRYAF-BXUZGUMPSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001573415305 948105866 /nfs/dbraw/zinc/10/58/66/948105866.db2.gz WYGWXXSQRSRYAF-BXUZGUMPSA-N -1 3 384.444 0.450 20 0 GCADHM C[C@@H](C(=O)NC1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC001573673384 948113308 /nfs/dbraw/zinc/11/33/08/948113308.db2.gz KVAYUQCOWZFVCO-LBPRGKRZSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573417887 948114050 /nfs/dbraw/zinc/11/40/50/948114050.db2.gz CKZFKYYKMZPNND-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573417887 948114053 /nfs/dbraw/zinc/11/40/53/948114053.db2.gz CKZFKYYKMZPNND-CQSZACIVSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573417883 948114176 /nfs/dbraw/zinc/11/41/76/948114176.db2.gz CKZFKYYKMZPNND-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573417883 948114178 /nfs/dbraw/zinc/11/41/78/948114178.db2.gz CKZFKYYKMZPNND-AWEZNQCLSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)c1cnn(C)c1 ZINC001573673401 948114710 /nfs/dbraw/zinc/11/47/10/948114710.db2.gz KWXADUQDZMEQBP-GWCFXTLKSA-N -1 3 385.407 0.633 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1cnn(C)c1 ZINC001573673401 948114716 /nfs/dbraw/zinc/11/47/16/948114716.db2.gz KWXADUQDZMEQBP-GWCFXTLKSA-N -1 3 385.407 0.633 20 0 GCADHM CC(=O)N1CC(C(=O)NC2CC(CNc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573418173 948115566 /nfs/dbraw/zinc/11/55/66/948115566.db2.gz DWWPKOQAYIVBCI-UHFFFAOYSA-N -1 3 390.473 0.417 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573418228 948115852 /nfs/dbraw/zinc/11/58/52/948115852.db2.gz FKVIYBRZBOSMPQ-SNVBAGLBSA-N -1 3 375.408 0.425 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573418228 948115858 /nfs/dbraw/zinc/11/58/58/948115858.db2.gz FKVIYBRZBOSMPQ-SNVBAGLBSA-N -1 3 375.408 0.425 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001573418587 948117159 /nfs/dbraw/zinc/11/71/59/948117159.db2.gz HDJQMNQQTCCUCY-GOSISDBHSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001573418587 948117163 /nfs/dbraw/zinc/11/71/63/948117163.db2.gz HDJQMNQQTCCUCY-GOSISDBHSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573418578 948117558 /nfs/dbraw/zinc/11/75/58/948117558.db2.gz HAZSKUBVXQTDIT-AWEZNQCLSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573418578 948117564 /nfs/dbraw/zinc/11/75/64/948117564.db2.gz HAZSKUBVXQTDIT-AWEZNQCLSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C2CC2)C1 ZINC001573419333 948121078 /nfs/dbraw/zinc/12/10/78/948121078.db2.gz KRKCFZPRGDXLLB-OAHLLOKOSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C2CC2)C1 ZINC001573419333 948121084 /nfs/dbraw/zinc/12/10/84/948121084.db2.gz KRKCFZPRGDXLLB-OAHLLOKOSA-N -1 3 384.444 0.355 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001573675849 948123800 /nfs/dbraw/zinc/12/38/00/948123800.db2.gz QMLBRNSKHHZGGF-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001573675849 948123803 /nfs/dbraw/zinc/12/38/03/948123803.db2.gz QMLBRNSKHHZGGF-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573419636 948124344 /nfs/dbraw/zinc/12/43/44/948124344.db2.gz NWWJJIAJTOGCFH-SMDDNHRTSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573419636 948124352 /nfs/dbraw/zinc/12/43/52/948124352.db2.gz NWWJJIAJTOGCFH-SMDDNHRTSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573419641 948124805 /nfs/dbraw/zinc/12/48/05/948124805.db2.gz OCYHOTAXDSAPAO-VHSXEESVSA-N -1 3 375.408 0.789 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573419641 948124811 /nfs/dbraw/zinc/12/48/11/948124811.db2.gz OCYHOTAXDSAPAO-VHSXEESVSA-N -1 3 375.408 0.789 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573419631 948125123 /nfs/dbraw/zinc/12/51/23/948125123.db2.gz NWIUPYQYFKCHJR-IUCAKERBSA-N -1 3 392.489 0.805 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001573676149 948125703 /nfs/dbraw/zinc/12/57/03/948125703.db2.gz RWRNZWVRVOUYNZ-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001573676149 948125709 /nfs/dbraw/zinc/12/57/09/948125709.db2.gz RWRNZWVRVOUYNZ-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)[C@H](C)C2)C1 ZINC001573419750 948126666 /nfs/dbraw/zinc/12/66/66/948126666.db2.gz QYDJSPXGFAUYFT-RISCZKNCSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)[C@H](C)C2)C1 ZINC001573419750 948126673 /nfs/dbraw/zinc/12/66/73/948126673.db2.gz QYDJSPXGFAUYFT-RISCZKNCSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573420171 948134213 /nfs/dbraw/zinc/13/42/13/948134213.db2.gz YNCJZZSOEYWTSM-UHFFFAOYSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573420171 948134220 /nfs/dbraw/zinc/13/42/20/948134220.db2.gz YNCJZZSOEYWTSM-UHFFFAOYSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccc1 ZINC001573677403 948135423 /nfs/dbraw/zinc/13/54/23/948135423.db2.gz ADPVAGGHHCRHIJ-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccc1 ZINC001573677403 948135430 /nfs/dbraw/zinc/13/54/30/948135430.db2.gz ADPVAGGHHCRHIJ-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccc1 ZINC001573677402 948136569 /nfs/dbraw/zinc/13/65/69/948136569.db2.gz ADPVAGGHHCRHIJ-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccc1 ZINC001573677402 948136575 /nfs/dbraw/zinc/13/65/75/948136575.db2.gz ADPVAGGHHCRHIJ-NHYWBVRUSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)C)C1 ZINC001573421428 948137473 /nfs/dbraw/zinc/13/74/73/948137473.db2.gz FHLXYMKUTUNQAE-OAHLLOKOSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)C)C1 ZINC001573421428 948137477 /nfs/dbraw/zinc/13/74/77/948137477.db2.gz FHLXYMKUTUNQAE-OAHLLOKOSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN2Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573422206 948139822 /nfs/dbraw/zinc/13/98/22/948139822.db2.gz IOPWFSMUNLKZTP-CQSZACIVSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN2Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573422206 948139828 /nfs/dbraw/zinc/13/98/28/948139828.db2.gz IOPWFSMUNLKZTP-CQSZACIVSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C(C)C)C1 ZINC001573422295 948141907 /nfs/dbraw/zinc/14/19/07/948141907.db2.gz JNDPTQCLXVXGBY-AWEZNQCLSA-N -1 3 390.423 0.432 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C(C)C)C1 ZINC001573422295 948141917 /nfs/dbraw/zinc/14/19/17/948141917.db2.gz JNDPTQCLXVXGBY-AWEZNQCLSA-N -1 3 390.423 0.432 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C(C)C)C1 ZINC001573422348 948142021 /nfs/dbraw/zinc/14/20/21/948142021.db2.gz JYOSCEDMUFDRRN-LBPRGKRZSA-N -1 3 392.489 0.663 20 0 GCADHM CC(=O)N1CC(C(=O)NCCN(c2cccc(F)c2-c2nnn[n-]2)C2CC2)C1 ZINC001573423072 948143566 /nfs/dbraw/zinc/14/35/66/948143566.db2.gz MVXBPAJNNRWYCO-UHFFFAOYSA-N -1 3 387.419 0.569 20 0 GCADHM CC(=O)N1CC(C(=O)NCCN(c2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001573423072 948143569 /nfs/dbraw/zinc/14/35/69/948143569.db2.gz MVXBPAJNNRWYCO-UHFFFAOYSA-N -1 3 387.419 0.569 20 0 GCADHM Cn1cnn(CC(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1=O ZINC000826365312 948144684 /nfs/dbraw/zinc/14/46/84/948144684.db2.gz IYWMOUWCWQXMGW-UHFFFAOYSA-N -1 3 390.407 0.745 20 0 GCADHM Cn1cnn(CC(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1=O ZINC000826365312 948144690 /nfs/dbraw/zinc/14/46/90/948144690.db2.gz IYWMOUWCWQXMGW-UHFFFAOYSA-N -1 3 390.407 0.745 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573678316 948148631 /nfs/dbraw/zinc/14/86/31/948148631.db2.gz GRVPKDGTYNRNHE-MNOVXSKESA-N -1 3 387.423 0.879 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573678316 948148638 /nfs/dbraw/zinc/14/86/38/948148638.db2.gz GRVPKDGTYNRNHE-MNOVXSKESA-N -1 3 387.423 0.879 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccn1 ZINC001573678416 948151191 /nfs/dbraw/zinc/15/11/91/948151191.db2.gz DRDNMNUUEOYDOS-IINYFYTJSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccn1 ZINC001573678416 948151198 /nfs/dbraw/zinc/15/11/98/948151198.db2.gz DRDNMNUUEOYDOS-IINYFYTJSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1)[C@@H]1CCC(=O)N1 ZINC001573679185 948158581 /nfs/dbraw/zinc/15/85/81/948158581.db2.gz JSIAPWYARPBYIZ-BMIGLBTASA-N -1 3 387.419 0.221 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@@H]1CCC(=O)N1 ZINC001573679185 948158584 /nfs/dbraw/zinc/15/85/84/948158584.db2.gz JSIAPWYARPBYIZ-BMIGLBTASA-N -1 3 387.419 0.221 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573426717 948160521 /nfs/dbraw/zinc/16/05/21/948160521.db2.gz PARKFQCVVRFOID-HNNXBMFYSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001573427206 948163857 /nfs/dbraw/zinc/16/38/57/948163857.db2.gz ULVISEDVJUKCRZ-TXEJJXNPSA-N -1 3 390.835 0.453 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001573427206 948163861 /nfs/dbraw/zinc/16/38/61/948163861.db2.gz ULVISEDVJUKCRZ-TXEJJXNPSA-N -1 3 390.835 0.453 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)[C@H]1CCC(=O)N1 ZINC001573679595 948163977 /nfs/dbraw/zinc/16/39/77/948163977.db2.gz LGFCFHQJZQVBTP-ZUZCIYMTSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)[C@H]1CCC(=O)N1 ZINC001573679595 948163983 /nfs/dbraw/zinc/16/39/83/948163983.db2.gz LGFCFHQJZQVBTP-ZUZCIYMTSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573679983 948169394 /nfs/dbraw/zinc/16/93/94/948169394.db2.gz NTLGDHXDAGEYCJ-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573679983 948169398 /nfs/dbraw/zinc/16/93/98/948169398.db2.gz NTLGDHXDAGEYCJ-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573679987 948171523 /nfs/dbraw/zinc/17/15/23/948171523.db2.gz NTLGDHXDAGEYCJ-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573679987 948171528 /nfs/dbraw/zinc/17/15/28/948171528.db2.gz NTLGDHXDAGEYCJ-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573430085 948175259 /nfs/dbraw/zinc/17/52/59/948175259.db2.gz NFVJFCBNAYRLEP-LBPRGKRZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573430085 948175262 /nfs/dbraw/zinc/17/52/62/948175262.db2.gz NFVJFCBNAYRLEP-LBPRGKRZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573430525 948175704 /nfs/dbraw/zinc/17/57/04/948175704.db2.gz PRBCBOTZHMUHNL-VIFPVBQESA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573430594 948177623 /nfs/dbraw/zinc/17/76/23/948177623.db2.gz QWZPBBBJRJAMMR-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573430594 948177624 /nfs/dbraw/zinc/17/76/24/948177624.db2.gz QWZPBBBJRJAMMR-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573431024 948179630 /nfs/dbraw/zinc/17/96/30/948179630.db2.gz ULLKYBQCXWQPPZ-JTQLQIEISA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573431024 948179633 /nfs/dbraw/zinc/17/96/33/948179633.db2.gz ULLKYBQCXWQPPZ-JTQLQIEISA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573680972 948191997 /nfs/dbraw/zinc/19/19/97/948191997.db2.gz TYLKHVCROMWXGD-BMIGLBTASA-N -1 3 387.419 0.221 20 0 GCADHM C[C@@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573680972 948192001 /nfs/dbraw/zinc/19/20/01/948192001.db2.gz TYLKHVCROMWXGD-BMIGLBTASA-N -1 3 387.419 0.221 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C)n1cncn1 ZINC001573681221 948197885 /nfs/dbraw/zinc/19/78/85/948197885.db2.gz VRUSKEKSLTYQCR-FZMZJTMJSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C)n1cncn1 ZINC001573681221 948197889 /nfs/dbraw/zinc/19/78/89/948197889.db2.gz VRUSKEKSLTYQCR-FZMZJTMJSA-N -1 3 382.432 0.445 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573433453 948201224 /nfs/dbraw/zinc/20/12/24/948201224.db2.gz LZVCORHIVJFURL-DEYYWGMASA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573433453 948201238 /nfs/dbraw/zinc/20/12/38/948201238.db2.gz LZVCORHIVJFURL-DEYYWGMASA-N -1 3 384.444 0.579 20 0 GCADHM NC(=O)NC1(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nnn[n-]3)n2)CC1 ZINC000826392345 948201586 /nfs/dbraw/zinc/20/15/86/948201586.db2.gz VCRPIXSPQLDXMV-UHFFFAOYSA-N -1 3 387.791 0.845 20 0 GCADHM NC(=O)NC1(C(=O)Nc2ccn(-c3ccc(Cl)cc3-c3nn[n-]n3)n2)CC1 ZINC000826392345 948201596 /nfs/dbraw/zinc/20/15/96/948201596.db2.gz VCRPIXSPQLDXMV-UHFFFAOYSA-N -1 3 387.791 0.845 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCOCC3(CC3)C2)cc1 ZINC000826394942 948202547 /nfs/dbraw/zinc/20/25/47/948202547.db2.gz FZJILMDHPAVFNC-UHFFFAOYSA-N -1 3 380.412 0.887 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCOCC3(CC3)C2)cc1 ZINC000826394942 948202554 /nfs/dbraw/zinc/20/25/54/948202554.db2.gz FZJILMDHPAVFNC-UHFFFAOYSA-N -1 3 380.412 0.887 20 0 GCADHM NS(=O)(=O)c1cnc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)s1 ZINC000826394908 948203075 /nfs/dbraw/zinc/20/30/75/948203075.db2.gz DOCYGFVRTCCXTJ-NSHDSACASA-N -1 3 393.454 0.549 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573433626 948203758 /nfs/dbraw/zinc/20/37/58/948203758.db2.gz MWZUBIGFRYMGSV-SFHVURJKSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573433626 948203766 /nfs/dbraw/zinc/20/37/66/948203766.db2.gz MWZUBIGFRYMGSV-SFHVURJKSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573433623 948203800 /nfs/dbraw/zinc/20/38/00/948203800.db2.gz MWZUBIGFRYMGSV-GOSISDBHSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573433623 948203811 /nfs/dbraw/zinc/20/38/11/948203811.db2.gz MWZUBIGFRYMGSV-GOSISDBHSA-N -1 3 386.460 0.699 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H](O)CCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000826395072 948205250 /nfs/dbraw/zinc/20/52/50/948205250.db2.gz LWPIZJWKNYGUDU-CYBMUJFWSA-N -1 3 388.453 0.920 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H](O)CCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000826395072 948205258 /nfs/dbraw/zinc/20/52/58/948205258.db2.gz LWPIZJWKNYGUDU-CYBMUJFWSA-N -1 3 388.453 0.920 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573433788 948205394 /nfs/dbraw/zinc/20/53/94/948205394.db2.gz NUROLXNYJCTZFJ-KBXCAEBGSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573433788 948205403 /nfs/dbraw/zinc/20/54/03/948205403.db2.gz NUROLXNYJCTZFJ-KBXCAEBGSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573681538 948205988 /nfs/dbraw/zinc/20/59/88/948205988.db2.gz WFHIVRZWTHVVNN-ABAIWWIYSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573681538 948205998 /nfs/dbraw/zinc/20/59/98/948205998.db2.gz WFHIVRZWTHVVNN-ABAIWWIYSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573434174 948210949 /nfs/dbraw/zinc/21/09/49/948210949.db2.gz OOZATDFHHMHIEU-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573434174 948210958 /nfs/dbraw/zinc/21/09/58/948210958.db2.gz OOZATDFHHMHIEU-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573434324 948213937 /nfs/dbraw/zinc/21/39/37/948213937.db2.gz QINDLHOXCGUIEH-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573434324 948213945 /nfs/dbraw/zinc/21/39/45/948213945.db2.gz QINDLHOXCGUIEH-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl)n1cccc1 ZINC001573681913 948216856 /nfs/dbraw/zinc/21/68/56/948216856.db2.gz YXYSNLMLOMPPOT-JQWIXIFHSA-N -1 3 390.835 0.867 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl)n1cccc1 ZINC001573681913 948216866 /nfs/dbraw/zinc/21/68/66/948216866.db2.gz YXYSNLMLOMPPOT-JQWIXIFHSA-N -1 3 390.835 0.867 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573689948 948220086 /nfs/dbraw/zinc/22/00/86/948220086.db2.gz AWXWAMRRZWJJDU-GHMZBOCLSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573689948 948220094 /nfs/dbraw/zinc/22/00/94/948220094.db2.gz AWXWAMRRZWJJDU-GHMZBOCLSA-N -1 3 377.449 0.426 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573434932 948222184 /nfs/dbraw/zinc/22/21/84/948222184.db2.gz STAVJXQLBGEMQY-KZULUSFZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573434932 948222188 /nfs/dbraw/zinc/22/21/88/948222188.db2.gz STAVJXQLBGEMQY-KZULUSFZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573434938 948222466 /nfs/dbraw/zinc/22/24/66/948222466.db2.gz SXNQBBWKNHWJRF-KDOFPFPSSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573434938 948222474 /nfs/dbraw/zinc/22/24/74/948222474.db2.gz SXNQBBWKNHWJRF-KDOFPFPSSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccsc1 ZINC001573690230 948224460 /nfs/dbraw/zinc/22/44/60/948224460.db2.gz BQRHGQNBKLGBLZ-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccsc1 ZINC001573690230 948224472 /nfs/dbraw/zinc/22/44/72/948224472.db2.gz BQRHGQNBKLGBLZ-MWLCHTKSSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573435275 948225554 /nfs/dbraw/zinc/22/55/54/948225554.db2.gz VGLYTGGCQNIZKN-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573435275 948225564 /nfs/dbraw/zinc/22/55/64/948225564.db2.gz VGLYTGGCQNIZKN-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573435272 948225606 /nfs/dbraw/zinc/22/56/06/948225606.db2.gz VGLYTGGCQNIZKN-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573435272 948225615 /nfs/dbraw/zinc/22/56/15/948225615.db2.gz VGLYTGGCQNIZKN-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)[C@H]1CCCO1 ZINC001573690757 948227475 /nfs/dbraw/zinc/22/74/75/948227475.db2.gz ATAGCPIFDHPPIG-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)[C@H]1CCCO1 ZINC001573690757 948227486 /nfs/dbraw/zinc/22/74/86/948227486.db2.gz ATAGCPIFDHPPIG-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CC(F)(F)C1 ZINC000826405415 948232386 /nfs/dbraw/zinc/23/23/86/948232386.db2.gz FAOGZKUVQNSYDP-LLVKDONJSA-N -1 3 391.338 0.549 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CC(F)(F)C1 ZINC000826405415 948232398 /nfs/dbraw/zinc/23/23/98/948232398.db2.gz FAOGZKUVQNSYDP-LLVKDONJSA-N -1 3 391.338 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573690883 948232941 /nfs/dbraw/zinc/23/29/41/948232941.db2.gz GDQSDQRZNHUZCD-XPUUQOCRSA-N -1 3 377.302 0.488 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573690883 948232950 /nfs/dbraw/zinc/23/29/50/948232950.db2.gz GDQSDQRZNHUZCD-XPUUQOCRSA-N -1 3 377.302 0.488 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573435700 948233432 /nfs/dbraw/zinc/23/34/32/948233432.db2.gz ZPIYJYRYZUSYFT-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573435700 948233438 /nfs/dbraw/zinc/23/34/38/948233438.db2.gz ZPIYJYRYZUSYFT-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573438381 948235449 /nfs/dbraw/zinc/23/54/49/948235449.db2.gz ACHNTURJHMLGBF-DOMZBBRYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573438381 948235459 /nfs/dbraw/zinc/23/54/59/948235459.db2.gz ACHNTURJHMLGBF-DOMZBBRYSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573691118 948236195 /nfs/dbraw/zinc/23/61/95/948236195.db2.gz DDCJBZMIOVSDEL-AAEUAGOBSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573691118 948236201 /nfs/dbraw/zinc/23/62/01/948236201.db2.gz DDCJBZMIOVSDEL-AAEUAGOBSA-N -1 3 384.444 0.627 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573438583 948237951 /nfs/dbraw/zinc/23/79/51/948237951.db2.gz CIUBNGUYGHLFRD-AWEZNQCLSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573438583 948237956 /nfs/dbraw/zinc/23/79/56/948237956.db2.gz CIUBNGUYGHLFRD-AWEZNQCLSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573438579 948238484 /nfs/dbraw/zinc/23/84/84/948238484.db2.gz CHWKIODXATYRHB-GXTWGEPZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573438579 948238494 /nfs/dbraw/zinc/23/84/94/948238494.db2.gz CHWKIODXATYRHB-GXTWGEPZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573438777 948239710 /nfs/dbraw/zinc/23/97/10/948239710.db2.gz FHWVZXPVUQXRNG-CQSZACIVSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573438777 948239719 /nfs/dbraw/zinc/23/97/19/948239719.db2.gz FHWVZXPVUQXRNG-CQSZACIVSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573439202 948243877 /nfs/dbraw/zinc/24/38/77/948243877.db2.gz JLBUJPYBRCTXQM-CQSZACIVSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573439202 948243883 /nfs/dbraw/zinc/24/38/83/948243883.db2.gz JLBUJPYBRCTXQM-CQSZACIVSA-N -1 3 386.460 0.415 20 0 GCADHM O=C(CN1CCOCC1)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826411066 948247461 /nfs/dbraw/zinc/24/74/61/948247461.db2.gz JUYARSIKOFGYCF-UHFFFAOYSA-N -1 3 388.819 0.977 20 0 GCADHM O=C(CN1CCOCC1)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826411066 948247473 /nfs/dbraw/zinc/24/74/73/948247473.db2.gz JUYARSIKOFGYCF-UHFFFAOYSA-N -1 3 388.819 0.977 20 0 GCADHM O=C(CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)N1CCOCC1 ZINC000826411495 948249538 /nfs/dbraw/zinc/24/95/38/948249538.db2.gz AMNHDKRMZPIDGI-UHFFFAOYSA-N -1 3 385.428 0.400 20 0 GCADHM O=C(CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)N1CCOCC1 ZINC000826411495 948249544 /nfs/dbraw/zinc/24/95/44/948249544.db2.gz AMNHDKRMZPIDGI-UHFFFAOYSA-N -1 3 385.428 0.400 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000826412901 948251490 /nfs/dbraw/zinc/25/14/90/948251490.db2.gz IMOCUARHRICYOX-OAHLLOKOSA-N -1 3 381.371 0.949 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCCCc1nnc2n1CCCC2 ZINC000826413508 948252904 /nfs/dbraw/zinc/25/29/04/948252904.db2.gz IHFUPIBZGZJLKB-UHFFFAOYSA-N -1 3 382.432 0.350 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCCCc1nnc2n1CCCC2 ZINC000826413508 948252913 /nfs/dbraw/zinc/25/29/13/948252913.db2.gz IHFUPIBZGZJLKB-UHFFFAOYSA-N -1 3 382.432 0.350 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573439803 948254929 /nfs/dbraw/zinc/25/49/29/948254929.db2.gz SNDUUWVXJVNBCS-OCCSQVGLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573439803 948254935 /nfs/dbraw/zinc/25/49/35/948254935.db2.gz SNDUUWVXJVNBCS-OCCSQVGLSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccs1 ZINC001573692492 948265994 /nfs/dbraw/zinc/26/59/94/948265994.db2.gz PFNJWTZPOWOCGM-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccs1 ZINC001573692492 948266005 /nfs/dbraw/zinc/26/60/05/948266005.db2.gz PFNJWTZPOWOCGM-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573692613 948269571 /nfs/dbraw/zinc/26/95/71/948269571.db2.gz QANRALLWWGXQFQ-ZYHUDNBSSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573692613 948269579 /nfs/dbraw/zinc/26/95/79/948269579.db2.gz QANRALLWWGXQFQ-ZYHUDNBSSA-N -1 3 387.400 0.141 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2F)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431914 948284349 /nfs/dbraw/zinc/28/43/49/948284349.db2.gz NLKHNQUDWSSLTG-DZGCQCFKSA-N -1 3 383.387 0.829 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2F)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431914 948284359 /nfs/dbraw/zinc/28/43/59/948284359.db2.gz NLKHNQUDWSSLTG-DZGCQCFKSA-N -1 3 383.387 0.829 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442351 948291969 /nfs/dbraw/zinc/29/19/69/948291969.db2.gz HCCDUDMCVDQPLB-IUODEOHRSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442351 948291983 /nfs/dbraw/zinc/29/19/83/948291983.db2.gz HCCDUDMCVDQPLB-IUODEOHRSA-N -1 3 386.460 0.827 20 0 GCADHM O=C(NCCOCCO)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826438845 948295807 /nfs/dbraw/zinc/29/58/07/948295807.db2.gz SSAILZPUKMZKSO-UHFFFAOYSA-N -1 3 392.807 0.836 20 0 GCADHM O=C(NCCOCCO)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826438845 948295818 /nfs/dbraw/zinc/29/58/18/948295818.db2.gz SSAILZPUKMZKSO-UHFFFAOYSA-N -1 3 392.807 0.836 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NC[C@H]1CCCCS1(=O)=O ZINC000826440297 948297266 /nfs/dbraw/zinc/29/72/66/948297266.db2.gz HOOOQAPBAPUOMZ-GFCCVEGCSA-N -1 3 382.421 0.772 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NC[C@H]1CCCCS1(=O)=O ZINC000826440297 948297274 /nfs/dbraw/zinc/29/72/74/948297274.db2.gz HOOOQAPBAPUOMZ-GFCCVEGCSA-N -1 3 382.421 0.772 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573442698 948297828 /nfs/dbraw/zinc/29/78/28/948297828.db2.gz KCLRKBZPUZOYCJ-JSGCOSHPSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573442698 948297835 /nfs/dbraw/zinc/29/78/35/948297835.db2.gz KCLRKBZPUZOYCJ-JSGCOSHPSA-N -1 3 386.460 0.684 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccs1 ZINC001573695166 948303691 /nfs/dbraw/zinc/30/36/91/948303691.db2.gz XBJBFGOIHXGQRE-UWVGGRQHSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccs1 ZINC001573695166 948303701 /nfs/dbraw/zinc/30/37/01/948303701.db2.gz XBJBFGOIHXGQRE-UWVGGRQHSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCCC1)n1cncn1 ZINC001573695523 948305874 /nfs/dbraw/zinc/30/58/74/948305874.db2.gz GQASNFOCQXNGBS-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCCC1)n1cncn1 ZINC001573695523 948305885 /nfs/dbraw/zinc/30/58/85/948305885.db2.gz GQASNFOCQXNGBS-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573443838 948308616 /nfs/dbraw/zinc/30/86/16/948308616.db2.gz PUOWWUYSTIQIKB-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573443838 948308625 /nfs/dbraw/zinc/30/86/25/948308625.db2.gz PUOWWUYSTIQIKB-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573444450 948315333 /nfs/dbraw/zinc/31/53/33/948315333.db2.gz VCSMCZNUHXXNKC-AWEZNQCLSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573444450 948315342 /nfs/dbraw/zinc/31/53/42/948315342.db2.gz VCSMCZNUHXXNKC-AWEZNQCLSA-N -1 3 386.460 0.747 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCCO1 ZINC001573696159 948318801 /nfs/dbraw/zinc/31/88/01/948318801.db2.gz LPZXSIIIURPZAQ-XJKSGUPXSA-N -1 3 386.456 0.345 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCCO1 ZINC001573696159 948318808 /nfs/dbraw/zinc/31/88/08/948318808.db2.gz LPZXSIIIURPZAQ-XJKSGUPXSA-N -1 3 386.456 0.345 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)[C@H]1CCCO1 ZINC001573696158 948319096 /nfs/dbraw/zinc/31/90/96/948319096.db2.gz LPZXSIIIURPZAQ-CZUORRHYSA-N -1 3 386.456 0.345 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1)[C@H]1CCCO1 ZINC001573696158 948319102 /nfs/dbraw/zinc/31/91/02/948319102.db2.gz LPZXSIIIURPZAQ-CZUORRHYSA-N -1 3 386.456 0.345 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826452190 948319685 /nfs/dbraw/zinc/31/96/85/948319685.db2.gz KNWAOAYHZJWOOK-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826452190 948319692 /nfs/dbraw/zinc/31/96/92/948319692.db2.gz KNWAOAYHZJWOOK-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1ccco1 ZINC001573696276 948321211 /nfs/dbraw/zinc/32/12/11/948321211.db2.gz NEUBYKLWCWZBNL-KPZWWZAWSA-N -1 3 383.412 0.716 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1ccco1 ZINC001573696276 948321219 /nfs/dbraw/zinc/32/12/19/948321219.db2.gz NEUBYKLWCWZBNL-KPZWWZAWSA-N -1 3 383.412 0.716 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826452740 948322054 /nfs/dbraw/zinc/32/20/54/948322054.db2.gz GGEOLVIAQSFZTD-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826452740 948322065 /nfs/dbraw/zinc/32/20/65/948322065.db2.gz GGEOLVIAQSFZTD-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573445099 948322061 /nfs/dbraw/zinc/32/20/61/948322061.db2.gz YFNGLGQXCPJJCP-GFCCVEGCSA-N -1 3 392.489 0.443 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cccc1 ZINC001573696531 948328271 /nfs/dbraw/zinc/32/82/71/948328271.db2.gz RSXQTDOFHDEBDB-UGSOOPFHSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cccc1 ZINC001573696531 948328281 /nfs/dbraw/zinc/32/82/81/948328281.db2.gz RSXQTDOFHDEBDB-UGSOOPFHSA-N -1 3 382.428 0.382 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573446456 948328819 /nfs/dbraw/zinc/32/88/19/948328819.db2.gz GVPHZCZOQQYPHT-CQSZACIVSA-N -1 3 389.485 0.583 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573446465 948329580 /nfs/dbraw/zinc/32/95/80/948329580.db2.gz HGBHVSIXAHKJKK-CZUORRHYSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573446465 948329589 /nfs/dbraw/zinc/32/95/89/948329589.db2.gz HGBHVSIXAHKJKK-CZUORRHYSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573446415 948330211 /nfs/dbraw/zinc/33/02/11/948330211.db2.gz DYHCMRMQOHCVAZ-LSDHHAIUSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573446415 948330220 /nfs/dbraw/zinc/33/02/20/948330220.db2.gz DYHCMRMQOHCVAZ-LSDHHAIUSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)c1ccco1 ZINC001573696687 948332626 /nfs/dbraw/zinc/33/26/26/948332626.db2.gz VRVDIGDNOCEDFW-ZDUSSCGKSA-N -1 3 382.424 0.926 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)c1ccco1 ZINC001573696687 948332636 /nfs/dbraw/zinc/33/26/36/948332636.db2.gz VRVDIGDNOCEDFW-ZDUSSCGKSA-N -1 3 382.424 0.926 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573446605 948333347 /nfs/dbraw/zinc/33/33/47/948333347.db2.gz KHLCOMHVIGURRQ-OAHLLOKOSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573446605 948333354 /nfs/dbraw/zinc/33/33/54/948333354.db2.gz KHLCOMHVIGURRQ-OAHLLOKOSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)(F)F ZINC001573696767 948334732 /nfs/dbraw/zinc/33/47/32/948334732.db2.gz WWLFLZKWGKKKLG-VIFPVBQESA-N -1 3 386.428 0.882 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573446905 948337938 /nfs/dbraw/zinc/33/79/38/948337938.db2.gz RKWGAVCNDDGMTO-JOYOIKCWSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573446864 948338591 /nfs/dbraw/zinc/33/85/91/948338591.db2.gz PZDXWCZPXJNQAO-HZPDHXFCSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573446864 948338602 /nfs/dbraw/zinc/33/86/02/948338602.db2.gz PZDXWCZPXJNQAO-HZPDHXFCSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573447064 948340261 /nfs/dbraw/zinc/34/02/61/948340261.db2.gz SZJVTRLYMATVIG-GDBMZVCRSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573447064 948340267 /nfs/dbraw/zinc/34/02/67/948340267.db2.gz SZJVTRLYMATVIG-GDBMZVCRSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573447056 948341026 /nfs/dbraw/zinc/34/10/26/948341026.db2.gz SVNFETMBQWFSMH-UKRRQHHQSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573447056 948341036 /nfs/dbraw/zinc/34/10/36/948341036.db2.gz SVNFETMBQWFSMH-UKRRQHHQSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573447065 948341236 /nfs/dbraw/zinc/34/12/36/948341236.db2.gz SZJVTRLYMATVIG-GOEBONIOSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573447065 948341245 /nfs/dbraw/zinc/34/12/45/948341245.db2.gz SZJVTRLYMATVIG-GOEBONIOSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573702010 948343555 /nfs/dbraw/zinc/34/35/55/948343555.db2.gz CJSLVENZUKHZCC-YPMHNXCESA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573702010 948343565 /nfs/dbraw/zinc/34/35/65/948343565.db2.gz CJSLVENZUKHZCC-YPMHNXCESA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573703680 948358181 /nfs/dbraw/zinc/35/81/81/948358181.db2.gz LYXFXPANNCCQEW-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573703680 948358188 /nfs/dbraw/zinc/35/81/88/948358188.db2.gz LYXFXPANNCCQEW-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CCC1 ZINC001573704484 948374170 /nfs/dbraw/zinc/37/41/70/948374170.db2.gz BEFLNCZXYROUSV-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CCC1 ZINC001573704484 948374178 /nfs/dbraw/zinc/37/41/78/948374178.db2.gz BEFLNCZXYROUSV-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM O=C(c1cnc2[nH]cnc2c1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826474766 948375482 /nfs/dbraw/zinc/37/54/82/948375482.db2.gz DVOXOELWJFXIMK-UHFFFAOYSA-N -1 3 376.384 0.495 20 0 GCADHM O=C(c1cnc2[nH]cnc2c1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826474766 948375490 /nfs/dbraw/zinc/37/54/90/948375490.db2.gz DVOXOELWJFXIMK-UHFFFAOYSA-N -1 3 376.384 0.495 20 0 GCADHM O=C1[C@H]([N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CN1c1ccccc1 ZINC000826476153 948378927 /nfs/dbraw/zinc/37/89/27/948378927.db2.gz BQMHNOQATNGHET-OAHLLOKOSA-N -1 3 384.421 0.702 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CN1c1ccccc1 ZINC000826476647 948382926 /nfs/dbraw/zinc/38/29/26/948382926.db2.gz LSLDKPYNTRXKQN-AWEZNQCLSA-N -1 3 388.384 0.700 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CN1c1ccccc1 ZINC000826476647 948382930 /nfs/dbraw/zinc/38/29/30/948382930.db2.gz LSLDKPYNTRXKQN-AWEZNQCLSA-N -1 3 388.384 0.700 20 0 GCADHM O=C1OCC[C@H]2CN([C@@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476652 948384441 /nfs/dbraw/zinc/38/44/41/948384441.db2.gz LSLHQZNPBSJYTK-JKSUJKDBSA-N -1 3 397.439 0.889 20 0 GCADHM O=C1OCC[C@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476652 948384450 /nfs/dbraw/zinc/38/44/50/948384450.db2.gz LSLHQZNPBSJYTK-JKSUJKDBSA-N -1 3 397.439 0.889 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573705071 948391413 /nfs/dbraw/zinc/39/14/13/948391413.db2.gz VOTARNUCOUIGDM-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573705071 948391426 /nfs/dbraw/zinc/39/14/26/948391426.db2.gz VOTARNUCOUIGDM-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826482228 948395643 /nfs/dbraw/zinc/39/56/43/948395643.db2.gz WTPIBACXPRNCPM-JTQLQIEISA-N -1 3 376.764 0.288 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826482229 948396124 /nfs/dbraw/zinc/39/61/24/948396124.db2.gz WTPIBACXPRNCPM-SNVBAGLBSA-N -1 3 376.764 0.288 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826487817 948401465 /nfs/dbraw/zinc/40/14/65/948401465.db2.gz AVWOLPOTMBPXMZ-SECBINFHSA-N -1 3 394.354 0.921 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826489944 948402541 /nfs/dbraw/zinc/40/25/41/948402541.db2.gz FIDIHOUIUALSTK-RYUDHWBXSA-N -1 3 398.876 0.662 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490219 948403622 /nfs/dbraw/zinc/40/36/22/948403622.db2.gz NKIQLAMOFJLSRI-GHMZBOCLSA-N -1 3 398.876 0.662 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)c1ccco1 ZINC001573705570 948403980 /nfs/dbraw/zinc/40/39/80/948403980.db2.gz GBLQOAWBQKESFM-STQMWFEESA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)c1ccco1 ZINC001573705570 948403986 /nfs/dbraw/zinc/40/39/86/948403986.db2.gz GBLQOAWBQKESFM-STQMWFEESA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)c1ccco1 ZINC001573705568 948404316 /nfs/dbraw/zinc/40/43/16/948404316.db2.gz GBLQOAWBQKESFM-QWHCGFSZSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)c1ccco1 ZINC001573705568 948404323 /nfs/dbraw/zinc/40/43/23/948404323.db2.gz GBLQOAWBQKESFM-QWHCGFSZSA-N -1 3 383.412 0.980 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490222 948404764 /nfs/dbraw/zinc/40/47/64/948404764.db2.gz NKIQLAMOFJLSRI-WDEREUQCSA-N -1 3 398.876 0.662 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573706003 948411690 /nfs/dbraw/zinc/41/16/90/948411690.db2.gz HYPVENXZXXBDQC-TZMCWYRMSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573706003 948411697 /nfs/dbraw/zinc/41/16/97/948411697.db2.gz HYPVENXZXXBDQC-TZMCWYRMSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573706461 948419416 /nfs/dbraw/zinc/41/94/16/948419416.db2.gz KYQUHEIBLHCLOP-OLZOCXBDSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573706461 948419421 /nfs/dbraw/zinc/41/94/21/948419421.db2.gz KYQUHEIBLHCLOP-OLZOCXBDSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573706968 948425865 /nfs/dbraw/zinc/42/58/65/948425865.db2.gz MPCRLLBRSRBPGH-WCQYABFASA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)n1cncn1 ZINC001573706968 948425877 /nfs/dbraw/zinc/42/58/77/948425877.db2.gz MPCRLLBRSRBPGH-WCQYABFASA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1)C1CC1 ZINC001573706875 948427222 /nfs/dbraw/zinc/42/72/22/948427222.db2.gz MMJUZFBQZZFKJE-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1)C1CC1 ZINC001573706875 948427226 /nfs/dbraw/zinc/42/72/26/948427226.db2.gz MMJUZFBQZZFKJE-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001573707754 948437770 /nfs/dbraw/zinc/43/77/70/948437770.db2.gz POKHBQGUBLTUJZ-KBPBESRZSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001573707754 948437778 /nfs/dbraw/zinc/43/77/78/948437778.db2.gz POKHBQGUBLTUJZ-KBPBESRZSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)c1ccco1 ZINC001573707816 948439888 /nfs/dbraw/zinc/43/98/88/948439888.db2.gz QBXIOJCLSSIMCO-CHWSQXEVSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)c1ccco1 ZINC001573707816 948439890 /nfs/dbraw/zinc/43/98/90/948439890.db2.gz QBXIOJCLSSIMCO-CHWSQXEVSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573707971 948441588 /nfs/dbraw/zinc/44/15/88/948441588.db2.gz QKOITZBDMJQOQD-YPMHNXCESA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573707971 948441589 /nfs/dbraw/zinc/44/15/89/948441589.db2.gz QKOITZBDMJQOQD-YPMHNXCESA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001573708088 948442739 /nfs/dbraw/zinc/44/27/39/948442739.db2.gz RNUONGDSGIOKQT-HIFRSBDPSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001573708088 948442746 /nfs/dbraw/zinc/44/27/46/948442746.db2.gz RNUONGDSGIOKQT-HIFRSBDPSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001573708273 948446051 /nfs/dbraw/zinc/44/60/51/948446051.db2.gz SOMFXEXFLCWDKH-GWCFXTLKSA-N -1 3 389.485 0.391 20 0 GCADHM C[C@H](C(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cncnc1 ZINC001573708228 948446481 /nfs/dbraw/zinc/44/64/81/948446481.db2.gz SBOZFCZIIBBHRT-VUDBWIFFSA-N -1 3 381.400 0.191 20 0 GCADHM C[C@H](C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cncnc1 ZINC001573708228 948446486 /nfs/dbraw/zinc/44/64/86/948446486.db2.gz SBOZFCZIIBBHRT-VUDBWIFFSA-N -1 3 381.400 0.191 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cccn1 ZINC001573708483 948451708 /nfs/dbraw/zinc/45/17/08/948451708.db2.gz VGBXMUMWEMEEQD-JSGCOSHPSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cccn1 ZINC001573708483 948451715 /nfs/dbraw/zinc/45/17/15/948451715.db2.gz VGBXMUMWEMEEQD-JSGCOSHPSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)C(C)(F)F ZINC001573708515 948452494 /nfs/dbraw/zinc/45/24/94/948452494.db2.gz WBECHUGSPHUWSU-CMPLNLGQSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)C(C)(F)F ZINC001573708515 948452505 /nfs/dbraw/zinc/45/25/05/948452505.db2.gz WBECHUGSPHUWSU-CMPLNLGQSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1)C1CC1 ZINC001573708837 948460160 /nfs/dbraw/zinc/46/01/60/948460160.db2.gz YLICVUPSMFBJID-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1)C1CC1 ZINC001573708837 948460165 /nfs/dbraw/zinc/46/01/65/948460165.db2.gz YLICVUPSMFBJID-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573709000 948463647 /nfs/dbraw/zinc/46/36/47/948463647.db2.gz YWNGCDVFTODXHV-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573709000 948463655 /nfs/dbraw/zinc/46/36/55/948463655.db2.gz YWNGCDVFTODXHV-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573713774 948467636 /nfs/dbraw/zinc/46/76/36/948467636.db2.gz BNKALDRRYJEFHH-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573713774 948467642 /nfs/dbraw/zinc/46/76/42/948467642.db2.gz BNKALDRRYJEFHH-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccc1 ZINC001573714353 948473090 /nfs/dbraw/zinc/47/30/90/948473090.db2.gz GJAVQMQDZBAHJE-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccc1 ZINC001573714353 948473096 /nfs/dbraw/zinc/47/30/96/948473096.db2.gz GJAVQMQDZBAHJE-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM CS(C)(=O)=NCCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001195042897 948494101 /nfs/dbraw/zinc/49/41/01/948494101.db2.gz PKPMJJXYVZYZIU-UHFFFAOYSA-N -1 3 378.867 0.526 20 0 GCADHM CS(C)(=O)=NCCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001195042897 948494110 /nfs/dbraw/zinc/49/41/10/948494110.db2.gz PKPMJJXYVZYZIU-UHFFFAOYSA-N -1 3 378.867 0.526 20 0 GCADHM C[C@@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCC(=O)N1 ZINC001573715562 948494165 /nfs/dbraw/zinc/49/41/65/948494165.db2.gz ZECICPOYFQNSJB-IAQYHMDHSA-N -1 3 389.435 0.469 20 0 GCADHM O=S(=O)(N[C@@H](CO)c1cccnc1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001212492878 948494429 /nfs/dbraw/zinc/49/44/29/948494429.db2.gz SOGNNZVSORTPDJ-ZDUSSCGKSA-N -1 3 380.817 0.927 20 0 GCADHM O=S(=O)(N[C@@H](CO)c1cccnc1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001212492878 948494434 /nfs/dbraw/zinc/49/44/34/948494434.db2.gz SOGNNZVSORTPDJ-ZDUSSCGKSA-N -1 3 380.817 0.927 20 0 GCADHM C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573718277 948515826 /nfs/dbraw/zinc/51/58/26/948515826.db2.gz PYXMGDGBRIDWMI-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573718277 948515831 /nfs/dbraw/zinc/51/58/31/948515831.db2.gz PYXMGDGBRIDWMI-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCC(=O)N1 ZINC001573718731 948519176 /nfs/dbraw/zinc/51/91/76/948519176.db2.gz JSSIMLVQBDMZQV-CABZTGNLSA-N -1 3 392.851 0.382 20 0 GCADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCC(=O)N1 ZINC001573718731 948519181 /nfs/dbraw/zinc/51/91/81/948519181.db2.gz JSSIMLVQBDMZQV-CABZTGNLSA-N -1 3 392.851 0.382 20 0 GCADHM O=C(NCc1ccc(OCC(F)(F)F)nn1)c1ccc(-c2nnn[n-]2)cn1 ZINC001453161213 948522262 /nfs/dbraw/zinc/52/22/62/948522262.db2.gz IXCUZDYXPDBXKQ-UHFFFAOYSA-N -1 3 380.290 0.923 20 0 GCADHM O=C(NCc1ccc(OCC(F)(F)F)nn1)c1ccc(-c2nn[n-]n2)cn1 ZINC001453161213 948522267 /nfs/dbraw/zinc/52/22/67/948522267.db2.gz IXCUZDYXPDBXKQ-UHFFFAOYSA-N -1 3 380.290 0.923 20 0 GCADHM C[C@H](C(=O)NCCN(c1ncccc1-c1nnn[n-]1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573719177 948523750 /nfs/dbraw/zinc/52/37/50/948523750.db2.gz KQQRBZGNRGNWIN-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](C(=O)NCCN(c1ncccc1-c1nn[n-]n1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573719177 948523756 /nfs/dbraw/zinc/52/37/56/948523756.db2.gz KQQRBZGNRGNWIN-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573719689 948527427 /nfs/dbraw/zinc/52/74/27/948527427.db2.gz NNBXJRWHYANRLY-LLVKDONJSA-N -1 3 387.400 0.142 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573719689 948527435 /nfs/dbraw/zinc/52/74/35/948527435.db2.gz NNBXJRWHYANRLY-LLVKDONJSA-N -1 3 387.400 0.142 20 0 GCADHM Cc1nnc(C2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)C2)[nH]1 ZINC001464536179 948530999 /nfs/dbraw/zinc/53/09/99/948530999.db2.gz IXBPDYSDQBBGGZ-UHFFFAOYSA-N -1 3 380.821 0.735 20 0 GCADHM C[C@@H](C(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CCC1 ZINC001573720695 948534675 /nfs/dbraw/zinc/53/46/75/948534675.db2.gz RTCMEXUFAATDLO-CQSZACIVSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@@H](C(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CCC1 ZINC001573720695 948534679 /nfs/dbraw/zinc/53/46/79/948534679.db2.gz RTCMEXUFAATDLO-CQSZACIVSA-N -1 3 384.488 0.936 20 0 GCADHM O=C1OCC[C@@]12CCN(S(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)C2 ZINC001475801162 948537390 /nfs/dbraw/zinc/53/73/90/948537390.db2.gz MZTRZSWGSYXXQQ-CQSZACIVSA-N -1 3 383.817 0.848 20 0 GCADHM O=C1OCC[C@@]12CCN(S(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)C2 ZINC001475801162 948537398 /nfs/dbraw/zinc/53/73/98/948537398.db2.gz MZTRZSWGSYXXQQ-CQSZACIVSA-N -1 3 383.817 0.848 20 0 GCADHM C[C@H](C(=O)NCCN1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573721291 948537545 /nfs/dbraw/zinc/53/75/45/948537545.db2.gz WPKPDBYHOULEMK-LBPRGKRZSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573725937 948545409 /nfs/dbraw/zinc/54/54/09/948545409.db2.gz CZQURYNLYZXWMY-JBLDHEPKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573725937 948545412 /nfs/dbraw/zinc/54/54/12/948545412.db2.gz CZQURYNLYZXWMY-JBLDHEPKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C)n1cncn1 ZINC001573726335 948549379 /nfs/dbraw/zinc/54/93/79/948549379.db2.gz ICROUYZIFPKIKA-FRRDWIJNSA-N -1 3 382.432 0.303 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C)n1cncn1 ZINC001573726335 948549385 /nfs/dbraw/zinc/54/93/85/948549385.db2.gz ICROUYZIFPKIKA-FRRDWIJNSA-N -1 3 382.432 0.303 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001573727229 948554038 /nfs/dbraw/zinc/55/40/38/948554038.db2.gz LNGUCIGBNSWGQE-UHXUCMFUSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001573727229 948554042 /nfs/dbraw/zinc/55/40/42/948554042.db2.gz LNGUCIGBNSWGQE-UHXUCMFUSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573729051 948565813 /nfs/dbraw/zinc/56/58/13/948565813.db2.gz FJFSWWKDHQHBOJ-YRGRVCCFSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573729051 948565821 /nfs/dbraw/zinc/56/58/21/948565821.db2.gz FJFSWWKDHQHBOJ-YRGRVCCFSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573729154 948567853 /nfs/dbraw/zinc/56/78/53/948567853.db2.gz HTFRWVQCXJDPDO-CVMIBZJCSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573729154 948567861 /nfs/dbraw/zinc/56/78/61/948567861.db2.gz HTFRWVQCXJDPDO-CVMIBZJCSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573729856 948571383 /nfs/dbraw/zinc/57/13/83/948571383.db2.gz VLWDVSMFRDMZRE-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573729856 948571386 /nfs/dbraw/zinc/57/13/86/948571386.db2.gz VLWDVSMFRDMZRE-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573730005 948574234 /nfs/dbraw/zinc/57/42/34/948574234.db2.gz XOQFRJDHUSJDSO-OHTBPHCPSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573730005 948574243 /nfs/dbraw/zinc/57/42/43/948574243.db2.gz XOQFRJDHUSJDSO-OHTBPHCPSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NCc1ccco1)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573731884 948598620 /nfs/dbraw/zinc/59/86/20/948598620.db2.gz ZHLXKENITFUHOU-LLVKDONJSA-N -1 3 386.416 0.154 20 0 GCADHM C[C@H](C(=O)NCc1ccco1)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573731884 948598626 /nfs/dbraw/zinc/59/86/26/948598626.db2.gz ZHLXKENITFUHOU-LLVKDONJSA-N -1 3 386.416 0.154 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573732722 948608506 /nfs/dbraw/zinc/60/85/06/948608506.db2.gz WHEMDJVJHHYQAS-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573732722 948608510 /nfs/dbraw/zinc/60/85/10/948608510.db2.gz WHEMDJVJHHYQAS-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573732873 948610812 /nfs/dbraw/zinc/61/08/12/948610812.db2.gz ZWUAZZOZBNKCFE-RAIGVLPGSA-N -1 3 398.431 0.205 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573732873 948610816 /nfs/dbraw/zinc/61/08/16/948610816.db2.gz ZWUAZZOZBNKCFE-RAIGVLPGSA-N -1 3 398.431 0.205 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573736063 948611507 /nfs/dbraw/zinc/61/15/07/948611507.db2.gz FCKOIJCTICMWJW-IUODEOHRSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573736480 948616579 /nfs/dbraw/zinc/61/65/79/948616579.db2.gz XGWMHEHQMQFTTD-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573736480 948616585 /nfs/dbraw/zinc/61/65/85/948616585.db2.gz XGWMHEHQMQFTTD-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O)C1CC1 ZINC001573740053 948627434 /nfs/dbraw/zinc/62/74/34/948627434.db2.gz KDSHNYMVIAMKHX-WQHBLYJGSA-N -1 3 377.836 0.627 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O)C1CC1 ZINC001573740053 948627437 /nfs/dbraw/zinc/62/74/37/948627437.db2.gz KDSHNYMVIAMKHX-WQHBLYJGSA-N -1 3 377.836 0.627 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C(F)(F)F ZINC001573740685 948639264 /nfs/dbraw/zinc/63/92/64/948639264.db2.gz RNDGWKFULYMMHJ-DRTBCBBWSA-N -1 3 389.313 0.265 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C(F)(F)F ZINC001573740685 948639269 /nfs/dbraw/zinc/63/92/69/948639269.db2.gz RNDGWKFULYMMHJ-DRTBCBBWSA-N -1 3 389.313 0.265 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C)n1cccn1 ZINC001573740645 948640372 /nfs/dbraw/zinc/64/03/72/948640372.db2.gz MDAOGPUZNKVQHW-UHIISALHSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C)n1cccn1 ZINC001573740645 948640379 /nfs/dbraw/zinc/64/03/79/948640379.db2.gz MDAOGPUZNKVQHW-UHIISALHSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C)c1cnn(C)c1 ZINC001573740825 948643465 /nfs/dbraw/zinc/64/34/65/948643465.db2.gz PCVCKSYWDIKWST-LALPHHSUSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C)c1cnn(C)c1 ZINC001573740825 948643467 /nfs/dbraw/zinc/64/34/67/948643467.db2.gz PCVCKSYWDIKWST-LALPHHSUSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccsc1 ZINC001573740963 948646858 /nfs/dbraw/zinc/64/68/58/948646858.db2.gz RHIUXESOXHEDLH-GDLCADMTSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccsc1 ZINC001573740963 948646865 /nfs/dbraw/zinc/64/68/65/948646865.db2.gz RHIUXESOXHEDLH-GDLCADMTSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C1CCCC1 ZINC001573741038 948649317 /nfs/dbraw/zinc/64/93/17/948649317.db2.gz RMCWTKWJRBXXEK-COLVAYQJSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C1CCCC1 ZINC001573741038 948649323 /nfs/dbraw/zinc/64/93/23/948649323.db2.gz RMCWTKWJRBXXEK-COLVAYQJSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)c1ccco1 ZINC001573741141 948650293 /nfs/dbraw/zinc/65/02/93/948650293.db2.gz TUEUTGZHCZBHSQ-UHTWSYAYSA-N -1 3 388.453 0.986 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O)c1ccco1 ZINC001573741141 948650297 /nfs/dbraw/zinc/65/02/97/948650297.db2.gz TUEUTGZHCZBHSQ-UHTWSYAYSA-N -1 3 388.453 0.986 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573742055 948659190 /nfs/dbraw/zinc/65/91/90/948659190.db2.gz HUCOZZMMWQUFDP-GWCFXTLKSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573742055 948659196 /nfs/dbraw/zinc/65/91/96/948659196.db2.gz HUCOZZMMWQUFDP-GWCFXTLKSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573745174 948669870 /nfs/dbraw/zinc/66/98/70/948669870.db2.gz BWRTUDMUXPCLHT-MRVWCRGKSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573745174 948669877 /nfs/dbraw/zinc/66/98/77/948669877.db2.gz BWRTUDMUXPCLHT-MRVWCRGKSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H]1C)n1cncn1 ZINC001573745960 948675627 /nfs/dbraw/zinc/67/56/27/948675627.db2.gz HYYOCMYIUNBFBK-NRUUGDAUSA-N -1 3 386.395 0.337 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H]1C)n1cncn1 ZINC001573745960 948675630 /nfs/dbraw/zinc/67/56/30/948675630.db2.gz HYYOCMYIUNBFBK-NRUUGDAUSA-N -1 3 386.395 0.337 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C)n1cncn1 ZINC001573748049 948694543 /nfs/dbraw/zinc/69/45/43/948694543.db2.gz ZRHBZIIZGNFGTL-MDZLAQPJSA-N -1 3 385.407 0.942 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C)n1cncn1 ZINC001573748049 948694548 /nfs/dbraw/zinc/69/45/48/948694548.db2.gz ZRHBZIIZGNFGTL-MDZLAQPJSA-N -1 3 385.407 0.942 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCC(=O)N1 ZINC001573748872 948697425 /nfs/dbraw/zinc/69/74/25/948697425.db2.gz WGIKXMSCEXQCCK-OXHZDVMGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCC(=O)N1 ZINC001573748872 948697429 /nfs/dbraw/zinc/69/74/29/948697429.db2.gz WGIKXMSCEXQCCK-OXHZDVMGSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573751934 948709377 /nfs/dbraw/zinc/70/93/77/948709377.db2.gz IJYFPJKHLAEJCB-ATGSNQNLSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573751934 948709382 /nfs/dbraw/zinc/70/93/82/948709382.db2.gz IJYFPJKHLAEJCB-ATGSNQNLSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573752980 948716344 /nfs/dbraw/zinc/71/63/44/948716344.db2.gz PWZPLMFRYXUSJB-XCCSTKFXSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573752980 948716348 /nfs/dbraw/zinc/71/63/48/948716348.db2.gz PWZPLMFRYXUSJB-XCCSTKFXSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)[C@H]1CCCO1 ZINC001573753358 948717273 /nfs/dbraw/zinc/71/72/73/948717273.db2.gz RYPJUIVNAPSTNL-ABNINFQISA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)[C@H]1CCCO1 ZINC001573753358 948717277 /nfs/dbraw/zinc/71/72/77/948717277.db2.gz RYPJUIVNAPSTNL-ABNINFQISA-N -1 3 385.428 0.197 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)cn1 ZINC001574416542 948752801 /nfs/dbraw/zinc/75/28/01/948752801.db2.gz XJKAFCVSVHYKPH-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)cn1 ZINC001574416542 948752815 /nfs/dbraw/zinc/75/28/15/948752815.db2.gz XJKAFCVSVHYKPH-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(F)(F)C1(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CC1 ZINC001575222740 948758922 /nfs/dbraw/zinc/75/89/22/948758922.db2.gz IIYYUZDJWLPNEP-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)C1(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CC1 ZINC001575222740 948758937 /nfs/dbraw/zinc/75/89/37/948758937.db2.gz IIYYUZDJWLPNEP-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)n1 ZINC001574417054 948763304 /nfs/dbraw/zinc/76/33/04/948763304.db2.gz KGBVWUFXLYYTKN-LBPRGKRZSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)n1 ZINC001574417054 948763318 /nfs/dbraw/zinc/76/33/18/948763318.db2.gz KGBVWUFXLYYTKN-LBPRGKRZSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001574417471 948769513 /nfs/dbraw/zinc/76/95/13/948769513.db2.gz ONCAKIWGRQFDIP-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574417471 948769521 /nfs/dbraw/zinc/76/95/21/948769521.db2.gz ONCAKIWGRQFDIP-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575223906 948773370 /nfs/dbraw/zinc/77/33/70/948773370.db2.gz IORGVQBPVCLPPG-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575223906 948773383 /nfs/dbraw/zinc/77/33/83/948773383.db2.gz IORGVQBPVCLPPG-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001575223933 948773703 /nfs/dbraw/zinc/77/37/03/948773703.db2.gz PUVYUTDLORMQAL-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001575223933 948773722 /nfs/dbraw/zinc/77/37/22/948773722.db2.gz PUVYUTDLORMQAL-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575223905 948774708 /nfs/dbraw/zinc/77/47/08/948774708.db2.gz IORGVQBPVCLPPG-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575223905 948774715 /nfs/dbraw/zinc/77/47/15/948774715.db2.gz IORGVQBPVCLPPG-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1)c1nncn1C ZINC001574079606 948776171 /nfs/dbraw/zinc/77/61/71/948776171.db2.gz LNWKQPAGZNWLRJ-LBPRGKRZSA-N -1 3 380.409 0.810 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1)c1nncn1C ZINC001574079606 948776183 /nfs/dbraw/zinc/77/61/83/948776183.db2.gz LNWKQPAGZNWLRJ-LBPRGKRZSA-N -1 3 380.409 0.810 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574079723 948778692 /nfs/dbraw/zinc/77/86/92/948778692.db2.gz GBUOKORUEZMPDU-ZWNOBZJWSA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574079723 948778707 /nfs/dbraw/zinc/77/87/07/948778707.db2.gz GBUOKORUEZMPDU-ZWNOBZJWSA-N -1 3 379.396 0.146 20 0 GCADHM CC(F)(F)CC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575224247 948782368 /nfs/dbraw/zinc/78/23/68/948782368.db2.gz KUMDIAQMCVQVEL-UHFFFAOYSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575224247 948782377 /nfs/dbraw/zinc/78/23/77/948782377.db2.gz KUMDIAQMCVQVEL-UHFFFAOYSA-N -1 3 381.387 0.755 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574916711 948786729 /nfs/dbraw/zinc/78/67/29/948786729.db2.gz HZYPFYQTGHKDGF-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574916711 948786740 /nfs/dbraw/zinc/78/67/40/948786740.db2.gz HZYPFYQTGHKDGF-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001573755846 948787414 /nfs/dbraw/zinc/78/74/14/948787414.db2.gz JJPPRQNSZXERSY-PTRXPTGYSA-N -1 3 376.804 0.952 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001573755846 948787421 /nfs/dbraw/zinc/78/74/21/948787421.db2.gz JJPPRQNSZXERSY-PTRXPTGYSA-N -1 3 376.804 0.952 20 0 GCADHM C[C@H](CNC(=O)CCc1cn(C)nn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574916799 948789197 /nfs/dbraw/zinc/78/91/97/948789197.db2.gz JRUPHVTXQYGBHH-SECBINFHSA-N -1 3 390.839 0.593 20 0 GCADHM C[C@H](CNC(=O)CCc1cn(C)nn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574916799 948789209 /nfs/dbraw/zinc/78/92/09/948789209.db2.gz JRUPHVTXQYGBHH-SECBINFHSA-N -1 3 390.839 0.593 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574080433 948792824 /nfs/dbraw/zinc/79/28/24/948792824.db2.gz KGCQLIVCACHFTM-ZDUSSCGKSA-N -1 3 391.455 0.643 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574080433 948792833 /nfs/dbraw/zinc/79/28/33/948792833.db2.gz KGCQLIVCACHFTM-ZDUSSCGKSA-N -1 3 391.455 0.643 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN([S@@](C)(=N)=O)CC1 ZINC001573755990 948795063 /nfs/dbraw/zinc/79/50/63/948795063.db2.gz KSSNSXGILRIBBR-RPHGYIDUSA-N -1 3 378.462 0.403 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([S@@](C)(=N)=O)CC1 ZINC001573755990 948795076 /nfs/dbraw/zinc/79/50/76/948795076.db2.gz KSSNSXGILRIBBR-RPHGYIDUSA-N -1 3 378.462 0.403 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@H]1O ZINC001574080487 948796175 /nfs/dbraw/zinc/79/61/75/948796175.db2.gz MBVXWZOBLRMFNH-KFWWJZLASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O ZINC001574080487 948796181 /nfs/dbraw/zinc/79/61/81/948796181.db2.gz MBVXWZOBLRMFNH-KFWWJZLASA-N -1 3 380.399 0.661 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575225121 948797739 /nfs/dbraw/zinc/79/77/39/948797739.db2.gz WTWUFDQMPNONJG-VIFPVBQESA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575225121 948797756 /nfs/dbraw/zinc/79/77/56/948797756.db2.gz WTWUFDQMPNONJG-VIFPVBQESA-N -1 3 383.359 0.197 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917051 948800648 /nfs/dbraw/zinc/80/06/48/948800648.db2.gz PSYAWYZYKISWMB-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917051 948800669 /nfs/dbraw/zinc/80/06/69/948800669.db2.gz PSYAWYZYKISWMB-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCCN1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574080793 948803943 /nfs/dbraw/zinc/80/39/43/948803943.db2.gz NNOIAYSSAOGEPW-OAHLLOKOSA-N -1 3 391.455 0.279 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574080793 948803950 /nfs/dbraw/zinc/80/39/50/948803950.db2.gz NNOIAYSSAOGEPW-OAHLLOKOSA-N -1 3 391.455 0.279 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917099 948804539 /nfs/dbraw/zinc/80/45/39/948804539.db2.gz QWIDCVYVMHPHEE-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917099 948804557 /nfs/dbraw/zinc/80/45/57/948804557.db2.gz QWIDCVYVMHPHEE-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001574080804 948804763 /nfs/dbraw/zinc/80/47/63/948804763.db2.gz NRPJSBOUQHWKOG-ILXRZTDVSA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001574080804 948804780 /nfs/dbraw/zinc/80/47/80/948804780.db2.gz NRPJSBOUQHWKOG-ILXRZTDVSA-N -1 3 380.399 0.661 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncn1C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917437 948819920 /nfs/dbraw/zinc/81/99/20/948819920.db2.gz XPAVMDHIVXRZHE-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574422012 948826649 /nfs/dbraw/zinc/82/66/49/948826649.db2.gz UPCIDNVLALGJGV-JTQLQIEISA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574422012 948826667 /nfs/dbraw/zinc/82/66/67/948826667.db2.gz UPCIDNVLALGJGV-JTQLQIEISA-N -1 3 387.400 0.432 20 0 GCADHM C[C@@H](C(N)=O)N1Cc2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2C1 ZINC001573761098 948834597 /nfs/dbraw/zinc/83/45/97/948834597.db2.gz BGQNWQGMSRBGID-JTQLQIEISA-N -1 3 380.412 0.314 20 0 GCADHM C[C@@H](C(N)=O)N1Cc2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2C1 ZINC001573761098 948834615 /nfs/dbraw/zinc/83/46/15/948834615.db2.gz BGQNWQGMSRBGID-JTQLQIEISA-N -1 3 380.412 0.314 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573761130 948836240 /nfs/dbraw/zinc/83/62/40/948836240.db2.gz CYOZQRZQKFWFLN-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573761130 948836255 /nfs/dbraw/zinc/83/62/55/948836255.db2.gz CYOZQRZQKFWFLN-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cnc[nH]1 ZINC001573761318 948839191 /nfs/dbraw/zinc/83/91/91/948839191.db2.gz GYRPZJCEWINYMA-NSHDSACASA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cnc[nH]1 ZINC001573761318 948839212 /nfs/dbraw/zinc/83/92/12/948839212.db2.gz GYRPZJCEWINYMA-NSHDSACASA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)(C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573761995 948847843 /nfs/dbraw/zinc/84/78/43/948847843.db2.gz NRLXYEHTPBEBBO-UHFFFAOYSA-N -1 3 385.350 0.972 20 0 GCADHM CC(C)(C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573761995 948847855 /nfs/dbraw/zinc/84/78/55/948847855.db2.gz NRLXYEHTPBEBBO-UHFFFAOYSA-N -1 3 385.350 0.972 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CO)CC1OCCO1 ZINC001574082227 948852306 /nfs/dbraw/zinc/85/23/06/948852306.db2.gz CGTVAKJKDWCBMG-WBMJQRKESA-N -1 3 391.428 0.510 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CO)CC1OCCO1 ZINC001574082227 948852321 /nfs/dbraw/zinc/85/23/21/948852321.db2.gz CGTVAKJKDWCBMG-WBMJQRKESA-N -1 3 391.428 0.510 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CC1 ZINC001574082252 948852971 /nfs/dbraw/zinc/85/29/71/948852971.db2.gz CNOZZEKBZJCJGV-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC1 ZINC001574082252 948852993 /nfs/dbraw/zinc/85/29/93/948852993.db2.gz CNOZZEKBZJCJGV-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574684033 948854049 /nfs/dbraw/zinc/85/40/49/948854049.db2.gz AKBHTLXFFJVHKE-ZJUUUORDSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574684033 948854064 /nfs/dbraw/zinc/85/40/64/948854064.db2.gz AKBHTLXFFJVHKE-ZJUUUORDSA-N -1 3 376.396 0.234 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)c1cnc[nH]1 ZINC001573762320 948854921 /nfs/dbraw/zinc/85/49/21/948854921.db2.gz SUEHBMPDKDPBRM-UHFFFAOYSA-N -1 3 385.432 0.195 20 0 GCADHM CC(C)(C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573762654 948859073 /nfs/dbraw/zinc/85/90/73/948859073.db2.gz XECSYQOODXBSNB-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573762654 948859090 /nfs/dbraw/zinc/85/90/90/948859090.db2.gz XECSYQOODXBSNB-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccnc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574918803 948860815 /nfs/dbraw/zinc/86/08/15/948860815.db2.gz QUUNZTQEZOKRJD-GFCCVEGCSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccnc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574918803 948860829 /nfs/dbraw/zinc/86/08/29/948860829.db2.gz QUUNZTQEZOKRJD-GFCCVEGCSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574684235 948860988 /nfs/dbraw/zinc/86/09/88/948860988.db2.gz CFSXVKMOVSZVND-ZJUUUORDSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574684235 948861005 /nfs/dbraw/zinc/86/10/05/948861005.db2.gz CFSXVKMOVSZVND-ZJUUUORDSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccnc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574918797 948861281 /nfs/dbraw/zinc/86/12/81/948861281.db2.gz QSMUXZTZIXUOBZ-GFCCVEGCSA-N -1 3 385.432 0.354 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCS(N)(=O)=O ZINC001574082727 948862908 /nfs/dbraw/zinc/86/29/08/948862908.db2.gz HZOFAWJSOJGKJE-CYBMUJFWSA-N -1 3 382.446 0.017 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCS(N)(=O)=O ZINC001574082727 948862926 /nfs/dbraw/zinc/86/29/26/948862926.db2.gz HZOFAWJSOJGKJE-CYBMUJFWSA-N -1 3 382.446 0.017 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CS(C)(=O)=O ZINC001574684304 948863211 /nfs/dbraw/zinc/86/32/11/948863211.db2.gz DLJFQVBAFULLBE-MRVPVSSYSA-N -1 3 387.853 0.266 20 0 GCADHM C[C@H](CNC(=O)CCCc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574919179 948867265 /nfs/dbraw/zinc/86/72/65/948867265.db2.gz VTCGNDZXFQQFEF-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CNC(=O)CCCc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574919179 948867286 /nfs/dbraw/zinc/86/72/86/948867286.db2.gz VTCGNDZXFQQFEF-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)CCCc1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574919190 948868294 /nfs/dbraw/zinc/86/82/94/948868294.db2.gz WCBMUBIZNLLVQO-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)CCCc1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574919190 948868311 /nfs/dbraw/zinc/86/83/11/948868311.db2.gz WCBMUBIZNLLVQO-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1cnc[nH]1 ZINC001573763738 948870764 /nfs/dbraw/zinc/87/07/64/948870764.db2.gz GOFOZPGCLMURMU-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)c1cnc[nH]1 ZINC001573763738 948870786 /nfs/dbraw/zinc/87/07/86/948870786.db2.gz GOFOZPGCLMURMU-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CS(N)(=O)=O)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573763791 948875938 /nfs/dbraw/zinc/87/59/38/948875938.db2.gz IBLZYNUPWPUILD-JTQLQIEISA-N -1 3 396.448 0.420 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CS(N)(=O)=O)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573763791 948875953 /nfs/dbraw/zinc/87/59/53/948875953.db2.gz IBLZYNUPWPUILD-JTQLQIEISA-N -1 3 396.448 0.420 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001574083194 948877043 /nfs/dbraw/zinc/87/70/43/948877043.db2.gz PYAQQLJRMYRCKM-HEHGZKQESA-N -1 3 375.429 0.329 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001574083194 948877062 /nfs/dbraw/zinc/87/70/62/948877062.db2.gz PYAQQLJRMYRCKM-HEHGZKQESA-N -1 3 375.429 0.329 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CS(N)(=O)=O)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573763792 948878679 /nfs/dbraw/zinc/87/86/79/948878679.db2.gz IBLZYNUPWPUILD-SNVBAGLBSA-N -1 3 396.448 0.420 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CS(N)(=O)=O)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573763792 948878697 /nfs/dbraw/zinc/87/86/97/948878697.db2.gz IBLZYNUPWPUILD-SNVBAGLBSA-N -1 3 396.448 0.420 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920088 948886768 /nfs/dbraw/zinc/88/67/68/948886768.db2.gz BZRKIYFPCKSJRC-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920088 948886791 /nfs/dbraw/zinc/88/67/91/948886791.db2.gz BZRKIYFPCKSJRC-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)c1nc(CCNS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC001574426059 948886906 /nfs/dbraw/zinc/88/69/06/948886906.db2.gz QBCJRIVGYNUNPN-UHFFFAOYSA-N -1 3 390.473 0.781 20 0 GCADHM CC(C)c1nc(CCNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC001574426059 948886928 /nfs/dbraw/zinc/88/69/28/948886928.db2.gz QBCJRIVGYNUNPN-UHFFFAOYSA-N -1 3 390.473 0.781 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573764641 948888545 /nfs/dbraw/zinc/88/85/45/948888545.db2.gz PGSAVMGIVJLCHL-JTQLQIEISA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573764641 948888561 /nfs/dbraw/zinc/88/85/61/948888561.db2.gz PGSAVMGIVJLCHL-JTQLQIEISA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574920229 948890212 /nfs/dbraw/zinc/89/02/12/948890212.db2.gz GGSGSSLDWUFLJS-NSHDSACASA-N -1 3 387.423 0.708 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574920229 948890229 /nfs/dbraw/zinc/89/02/29/948890229.db2.gz GGSGSSLDWUFLJS-NSHDSACASA-N -1 3 387.423 0.708 20 0 GCADHM CC(C)c1nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001574426882 948892154 /nfs/dbraw/zinc/89/21/54/948892154.db2.gz VIVSBFCWXPWTCI-RYUDHWBXSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)c1nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001574426882 948892174 /nfs/dbraw/zinc/89/21/74/948892174.db2.gz VIVSBFCWXPWTCI-RYUDHWBXSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(S(N)(=O)=O)CC1 ZINC001574083897 948894792 /nfs/dbraw/zinc/89/47/92/948894792.db2.gz ZXZCSZNTAQGCFA-ZDUSSCGKSA-N -1 3 394.457 0.207 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(S(N)(=O)=O)CC1 ZINC001574083897 948894805 /nfs/dbraw/zinc/89/48/05/948894805.db2.gz ZXZCSZNTAQGCFA-ZDUSSCGKSA-N -1 3 394.457 0.207 20 0 GCADHM CC(C)c1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001574426906 948895121 /nfs/dbraw/zinc/89/51/21/948895121.db2.gz WFNSTVGHOQUWHG-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM CC(C)c1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001574426906 948895136 /nfs/dbraw/zinc/89/51/36/948895136.db2.gz WFNSTVGHOQUWHG-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1)c1cnc[nH]1 ZINC001573765160 948897174 /nfs/dbraw/zinc/89/71/74/948897174.db2.gz VGQZOFPHCBLTHR-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1)c1cnc[nH]1 ZINC001573765160 948897186 /nfs/dbraw/zinc/89/71/86/948897186.db2.gz VGQZOFPHCBLTHR-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1ncn(C)n1 ZINC001574685016 948898551 /nfs/dbraw/zinc/89/85/51/948898551.db2.gz RDLCYOMQNJUSHY-MRVPVSSYSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1ncn(C)n1 ZINC001574685016 948898572 /nfs/dbraw/zinc/89/85/72/948898572.db2.gz RDLCYOMQNJUSHY-MRVPVSSYSA-N -1 3 376.812 0.664 20 0 GCADHM CC(C)c1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001574427080 948900556 /nfs/dbraw/zinc/90/05/56/948900556.db2.gz YUZNRUMAZRMNLY-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM CC(C)c1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001574427080 948900565 /nfs/dbraw/zinc/90/05/65/948900565.db2.gz YUZNRUMAZRMNLY-YABSGUDNSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920403 948902891 /nfs/dbraw/zinc/90/28/91/948902891.db2.gz KHROEGRIBLUIPG-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920403 948902903 /nfs/dbraw/zinc/90/29/03/948902903.db2.gz KHROEGRIBLUIPG-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920628 948904546 /nfs/dbraw/zinc/90/45/46/948904546.db2.gz NHDVPZSOAHDANJ-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920628 948904553 /nfs/dbraw/zinc/90/45/53/948904553.db2.gz NHDVPZSOAHDANJ-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920629 948907244 /nfs/dbraw/zinc/90/72/44/948907244.db2.gz NHDVPZSOAHDANJ-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1ncccn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920629 948907255 /nfs/dbraw/zinc/90/72/55/948907255.db2.gz NHDVPZSOAHDANJ-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM CC(C)c1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574427592 948908202 /nfs/dbraw/zinc/90/82/02/948908202.db2.gz IBXFABDWSPKKKI-JYAVWHMHSA-N -1 3 379.428 0.973 20 0 GCADHM CC(C)c1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574427592 948908213 /nfs/dbraw/zinc/90/82/13/948908213.db2.gz IBXFABDWSPKKKI-JYAVWHMHSA-N -1 3 379.428 0.973 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920718 948910394 /nfs/dbraw/zinc/91/03/94/948910394.db2.gz PDNNHSGOZDBWGL-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920718 948910405 /nfs/dbraw/zinc/91/04/05/948910405.db2.gz PDNNHSGOZDBWGL-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CNC(=O)C1CC1 ZINC001574685594 948912402 /nfs/dbraw/zinc/91/24/02/948912402.db2.gz XOPCSDVCIDKGMX-SECBINFHSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CNC(=O)C1CC1 ZINC001574685594 948912415 /nfs/dbraw/zinc/91/24/15/948912415.db2.gz XOPCSDVCIDKGMX-SECBINFHSA-N -1 3 392.851 0.748 20 0 GCADHM CC(C)c1nccc(NC[C@@H](O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574427947 948918020 /nfs/dbraw/zinc/91/80/20/948918020.db2.gz VBXYQBHFRHTAQO-LLVKDONJSA-N -1 3 385.432 0.653 20 0 GCADHM CC(C)c1nccc(NC[C@@H](O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574427947 948918032 /nfs/dbraw/zinc/91/80/32/948918032.db2.gz VBXYQBHFRHTAQO-LLVKDONJSA-N -1 3 385.432 0.653 20 0 GCADHM CC(C)c1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574428049 948920154 /nfs/dbraw/zinc/92/01/54/948920154.db2.gz YJCYISRBHOGYST-HBYGRHMLSA-N -1 3 379.428 0.973 20 0 GCADHM CC(C)c1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574428049 948920159 /nfs/dbraw/zinc/92/01/59/948920159.db2.gz YJCYISRBHOGYST-HBYGRHMLSA-N -1 3 379.428 0.973 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)NCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574088346 948920804 /nfs/dbraw/zinc/92/08/04/948920804.db2.gz BENDWUPOXAMFGW-IUODEOHRSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)NCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574088346 948920826 /nfs/dbraw/zinc/92/08/26/948920826.db2.gz BENDWUPOXAMFGW-IUODEOHRSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)N1CCOCC1 ZINC001573765780 948923149 /nfs/dbraw/zinc/92/31/49/948923149.db2.gz GFSAMIWUCJSGEE-AWEZNQCLSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)N1CCOCC1 ZINC001573765780 948923157 /nfs/dbraw/zinc/92/31/57/948923157.db2.gz GFSAMIWUCJSGEE-AWEZNQCLSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574431796 948925371 /nfs/dbraw/zinc/92/53/71/948925371.db2.gz BNFSXNUXRCBXNN-GFCCVEGCSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574431796 948925378 /nfs/dbraw/zinc/92/53/78/948925378.db2.gz BNFSXNUXRCBXNN-GFCCVEGCSA-N -1 3 384.448 0.618 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574921441 948926073 /nfs/dbraw/zinc/92/60/73/948926073.db2.gz XIQFQCADDUHONP-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574921441 948926087 /nfs/dbraw/zinc/92/60/87/948926087.db2.gz XIQFQCADDUHONP-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574432239 948928220 /nfs/dbraw/zinc/92/82/20/948928220.db2.gz GETDBPKBQYXDIU-TXEJJXNPSA-N -1 3 382.432 0.736 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574432239 948928235 /nfs/dbraw/zinc/92/82/35/948928235.db2.gz GETDBPKBQYXDIU-TXEJJXNPSA-N -1 3 382.432 0.736 20 0 GCADHM CC(F)(F)CCC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575235878 948929863 /nfs/dbraw/zinc/92/98/63/948929863.db2.gz SFVUWVGOSYQOJP-UHFFFAOYSA-N -1 3 385.375 0.181 20 0 GCADHM CC(F)(F)CCC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575235878 948929880 /nfs/dbraw/zinc/92/98/80/948929880.db2.gz SFVUWVGOSYQOJP-UHFFFAOYSA-N -1 3 385.375 0.181 20 0 GCADHM C[C@@H](CNC(=O)CCn1cnnn1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574923020 948930796 /nfs/dbraw/zinc/93/07/96/948930796.db2.gz BKOHWXHMGXZCDD-NSHDSACASA-N -1 3 388.411 0.019 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001574686369 948932862 /nfs/dbraw/zinc/93/28/62/948932862.db2.gz HMYRGVDAGWVPMN-ZYHUDNBSSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001574686369 948932872 /nfs/dbraw/zinc/93/28/72/948932872.db2.gz HMYRGVDAGWVPMN-ZYHUDNBSSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574923010 948933200 /nfs/dbraw/zinc/93/32/00/948933200.db2.gz BDOLWDKJZGRMDQ-ZDUSSCGKSA-N -1 3 382.428 0.455 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574923010 948933208 /nfs/dbraw/zinc/93/32/08/948933208.db2.gz BDOLWDKJZGRMDQ-ZDUSSCGKSA-N -1 3 382.428 0.455 20 0 GCADHM C[C@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574923131 948935441 /nfs/dbraw/zinc/93/54/41/948935441.db2.gz FHDKHHWZAARDFI-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM C[C@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574923131 948935454 /nfs/dbraw/zinc/93/54/54/948935454.db2.gz FHDKHHWZAARDFI-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574432799 948938717 /nfs/dbraw/zinc/93/87/17/948938717.db2.gz DPABQOUXBFDRQG-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574432799 948938723 /nfs/dbraw/zinc/93/87/23/948938723.db2.gz DPABQOUXBFDRQG-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM C[C@H](CNC(=O)CCn1cncn1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574923305 948940974 /nfs/dbraw/zinc/94/09/74/948940974.db2.gz JHOYFRUMOVZEHY-GFCCVEGCSA-N -1 3 387.423 0.624 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574432852 948941960 /nfs/dbraw/zinc/94/19/60/948941960.db2.gz FOHDFLSRFKGKFY-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574432852 948941964 /nfs/dbraw/zinc/94/19/64/948941964.db2.gz FOHDFLSRFKGKFY-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)COCc1nccn1C ZINC001574686775 948942933 /nfs/dbraw/zinc/94/29/33/948942933.db2.gz LOHVZRVUTFGKMJ-GFCCVEGCSA-N -1 3 385.432 0.519 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)COCc1nccn1C ZINC001574686775 948942947 /nfs/dbraw/zinc/94/29/47/948942947.db2.gz LOHVZRVUTFGKMJ-GFCCVEGCSA-N -1 3 385.432 0.519 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574432897 948943393 /nfs/dbraw/zinc/94/33/93/948943393.db2.gz OSEJWRCCWMVMBJ-GFCCVEGCSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574432897 948943409 /nfs/dbraw/zinc/94/34/09/948943409.db2.gz OSEJWRCCWMVMBJ-GFCCVEGCSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)[C@H](O)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573771850 948947265 /nfs/dbraw/zinc/94/72/65/948947265.db2.gz MLFAQPYWXYPMAV-HZPDHXFCSA-N -1 3 382.424 0.750 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)[C@H](O)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573771850 948947273 /nfs/dbraw/zinc/94/72/73/948947273.db2.gz MLFAQPYWXYPMAV-HZPDHXFCSA-N -1 3 382.424 0.750 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001575237881 948948335 /nfs/dbraw/zinc/94/83/35/948948335.db2.gz ISFZEUNLIMYQEP-DGCLKSJQSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001575237881 948948346 /nfs/dbraw/zinc/94/83/46/948948346.db2.gz ISFZEUNLIMYQEP-DGCLKSJQSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001575237878 948948714 /nfs/dbraw/zinc/94/87/14/948948714.db2.gz ISFZEUNLIMYQEP-AAEUAGOBSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001575237878 948948729 /nfs/dbraw/zinc/94/87/29/948948729.db2.gz ISFZEUNLIMYQEP-AAEUAGOBSA-N -1 3 381.387 0.753 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573771897 948950215 /nfs/dbraw/zinc/95/02/15/948950215.db2.gz NVOXGAUAJGRFEB-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573771897 948950223 /nfs/dbraw/zinc/95/02/23/948950223.db2.gz NVOXGAUAJGRFEB-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001574433347 948952151 /nfs/dbraw/zinc/95/21/51/948952151.db2.gz VQLIGKUXGGRODK-UHFFFAOYSA-N -1 3 382.432 0.738 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001574433347 948952165 /nfs/dbraw/zinc/95/21/65/948952165.db2.gz VQLIGKUXGGRODK-UHFFFAOYSA-N -1 3 382.432 0.738 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573772096 948952928 /nfs/dbraw/zinc/95/29/28/948952928.db2.gz QMINMFLGCNOEHU-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573772096 948952945 /nfs/dbraw/zinc/95/29/45/948952945.db2.gz QMINMFLGCNOEHU-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC(F)(F)CCC(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575238403 948953666 /nfs/dbraw/zinc/95/36/66/948953666.db2.gz MJWQHDMBFQAGST-UHFFFAOYSA-N -1 3 385.375 0.181 20 0 GCADHM CC(F)(F)CCC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575238403 948953679 /nfs/dbraw/zinc/95/36/79/948953679.db2.gz MJWQHDMBFQAGST-UHFFFAOYSA-N -1 3 385.375 0.181 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573772254 948954269 /nfs/dbraw/zinc/95/42/69/948954269.db2.gz RWZMHEHQUGXANJ-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573772254 948954279 /nfs/dbraw/zinc/95/42/79/948954279.db2.gz RWZMHEHQUGXANJ-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1c[nH]cn1 ZINC001573772347 948958378 /nfs/dbraw/zinc/95/83/78/948958378.db2.gz ALCKEYVBCOMLQC-LLVKDONJSA-N -1 3 383.416 0.226 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573772357 948958895 /nfs/dbraw/zinc/95/88/95/948958895.db2.gz AQVJMBLPJCWVFB-GFCCVEGCSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573772357 948958904 /nfs/dbraw/zinc/95/89/04/948958904.db2.gz AQVJMBLPJCWVFB-GFCCVEGCSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574433591 948959317 /nfs/dbraw/zinc/95/93/17/948959317.db2.gz XUQRWDVNRLSTNW-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)c1nccn1CC(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574433644 948961119 /nfs/dbraw/zinc/96/11/19/948961119.db2.gz ZSTJFRUCCZESMV-UHFFFAOYSA-N -1 3 387.423 0.973 20 0 GCADHM CC(C)c1nccn1CC(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574433644 948961131 /nfs/dbraw/zinc/96/11/31/948961131.db2.gz ZSTJFRUCCZESMV-UHFFFAOYSA-N -1 3 387.423 0.973 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574089594 948961246 /nfs/dbraw/zinc/96/12/46/948961246.db2.gz FWACUTVUKNFXNU-OLZOCXBDSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574089594 948961258 /nfs/dbraw/zinc/96/12/58/948961258.db2.gz FWACUTVUKNFXNU-OLZOCXBDSA-N -1 3 387.444 0.180 20 0 GCADHM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575239434 948961782 /nfs/dbraw/zinc/96/17/82/948961782.db2.gz SGRBAYPBMBODJM-MRXNPFEDSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575239434 948961793 /nfs/dbraw/zinc/96/17/93/948961793.db2.gz SGRBAYPBMBODJM-MRXNPFEDSA-N -1 3 381.387 0.755 20 0 GCADHM CC(C)(C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573772562 948961833 /nfs/dbraw/zinc/96/18/33/948961833.db2.gz UXCFYUJIRSFDIA-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573772562 948961847 /nfs/dbraw/zinc/96/18/47/948961847.db2.gz UXCFYUJIRSFDIA-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575239829 948964841 /nfs/dbraw/zinc/96/48/41/948964841.db2.gz VSJMIKRRBLYTIB-NWDGAFQWSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575239829 948964851 /nfs/dbraw/zinc/96/48/51/948964851.db2.gz VSJMIKRRBLYTIB-NWDGAFQWSA-N -1 3 381.387 0.753 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573772613 948965725 /nfs/dbraw/zinc/96/57/25/948965725.db2.gz WCPMQDCMVDDQGD-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573772613 948965728 /nfs/dbraw/zinc/96/57/28/948965728.db2.gz WCPMQDCMVDDQGD-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574924111 948966260 /nfs/dbraw/zinc/96/62/60/948966260.db2.gz WEMKZXAZBCMWLO-VIFPVBQESA-N -1 3 391.823 0.370 20 0 GCADHM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574924111 948966276 /nfs/dbraw/zinc/96/62/76/948966276.db2.gz WEMKZXAZBCMWLO-VIFPVBQESA-N -1 3 391.823 0.370 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001574688663 948967428 /nfs/dbraw/zinc/96/74/28/948967428.db2.gz XLWSTAHYSSYIEL-JTQLQIEISA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001574688663 948967438 /nfs/dbraw/zinc/96/74/38/948967438.db2.gz XLWSTAHYSSYIEL-JTQLQIEISA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cc2n(n1)CCO2 ZINC001574688822 948969064 /nfs/dbraw/zinc/96/90/64/948969064.db2.gz ZVHDUTSXMQKAOQ-VIFPVBQESA-N -1 3 387.379 0.610 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cc2n(n1)CCO2 ZINC001574688822 948969080 /nfs/dbraw/zinc/96/90/80/948969080.db2.gz ZVHDUTSXMQKAOQ-VIFPVBQESA-N -1 3 387.379 0.610 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574924340 948971010 /nfs/dbraw/zinc/97/10/10/948971010.db2.gz ZWEXUHBOPIFVSM-JTQLQIEISA-N -1 3 390.423 0.433 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574924340 948971020 /nfs/dbraw/zinc/97/10/20/948971020.db2.gz ZWEXUHBOPIFVSM-JTQLQIEISA-N -1 3 390.423 0.433 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCO1 ZINC001574090010 948973010 /nfs/dbraw/zinc/97/30/10/948973010.db2.gz HFSUYUKQXPPMNS-IAQYHMDHSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCO1 ZINC001574090010 948973022 /nfs/dbraw/zinc/97/30/22/948973022.db2.gz HFSUYUKQXPPMNS-IAQYHMDHSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCCO1 ZINC001573773134 948976601 /nfs/dbraw/zinc/97/66/01/948976601.db2.gz HVDFBNKJGFGVNH-UONOGXRCSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCCO1 ZINC001573773134 948976611 /nfs/dbraw/zinc/97/66/11/948976611.db2.gz HVDFBNKJGFGVNH-UONOGXRCSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574090230 948979328 /nfs/dbraw/zinc/97/93/28/948979328.db2.gz MFMWRTLZUXQVGE-DIFFPNOSSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574090230 948979354 /nfs/dbraw/zinc/97/93/54/948979354.db2.gz MFMWRTLZUXQVGE-DIFFPNOSSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)C(F)F ZINC001573773334 948980077 /nfs/dbraw/zinc/98/00/77/948980077.db2.gz LCCAEZHYAAJWIG-GHMZBOCLSA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)C(F)F ZINC001573773334 948980085 /nfs/dbraw/zinc/98/00/85/948980085.db2.gz LCCAEZHYAAJWIG-GHMZBOCLSA-N -1 3 381.387 0.609 20 0 GCADHM CC(F)(F)CN1CCN(C[C@@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001575242134 948982359 /nfs/dbraw/zinc/98/23/59/948982359.db2.gz HCEQEHPQYNYGIH-CYBMUJFWSA-N -1 3 382.415 0.879 20 0 GCADHM CC(F)(F)CN1CCN(C[C@@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001575242134 948982377 /nfs/dbraw/zinc/98/23/77/948982377.db2.gz HCEQEHPQYNYGIH-CYBMUJFWSA-N -1 3 382.415 0.879 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)C1CCOCC1 ZINC001573773429 948984533 /nfs/dbraw/zinc/98/45/33/948984533.db2.gz BSMMESMUMBFGCG-AWEZNQCLSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)C1CCOCC1 ZINC001573773429 948984547 /nfs/dbraw/zinc/98/45/47/948984547.db2.gz BSMMESMUMBFGCG-AWEZNQCLSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573773606 948986480 /nfs/dbraw/zinc/98/64/80/948986480.db2.gz NAYYVWROSWRZOC-CQSZACIVSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573773606 948986492 /nfs/dbraw/zinc/98/64/92/948986492.db2.gz NAYYVWROSWRZOC-CQSZACIVSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)c1nnc(CN[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)o1 ZINC001574435252 948990747 /nfs/dbraw/zinc/99/07/47/948990747.db2.gz QVJPPOPCQIEUSL-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)o1 ZINC001574435252 948990761 /nfs/dbraw/zinc/99/07/61/948990761.db2.gz QVJPPOPCQIEUSL-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@H](F)CCN1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001575243190 948990842 /nfs/dbraw/zinc/99/08/42/948990842.db2.gz NXYDDMOBXFRFGT-AAEUAGOBSA-N -1 3 377.424 0.906 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574090744 948994546 /nfs/dbraw/zinc/99/45/46/948994546.db2.gz NRJDRVJIWJMPJC-DIFFPNOSSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574090744 948994560 /nfs/dbraw/zinc/99/45/60/948994560.db2.gz NRJDRVJIWJMPJC-DIFFPNOSSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574435686 948996599 /nfs/dbraw/zinc/99/65/99/948996599.db2.gz YDBNUBAIPGBFAU-JTQLQIEISA-N -1 3 388.411 0.733 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574435686 948996613 /nfs/dbraw/zinc/99/66/13/948996613.db2.gz YDBNUBAIPGBFAU-JTQLQIEISA-N -1 3 388.411 0.733 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574435599 948997769 /nfs/dbraw/zinc/99/77/69/948997769.db2.gz WHCNFFXINJEVPN-NSHDSACASA-N -1 3 385.436 0.013 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574435599 948997784 /nfs/dbraw/zinc/99/77/84/948997784.db2.gz WHCNFFXINJEVPN-NSHDSACASA-N -1 3 385.436 0.013 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574090874 948998302 /nfs/dbraw/zinc/99/83/02/948998302.db2.gz JSTPYFBDSCYFOK-IUODEOHRSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574090874 948998311 /nfs/dbraw/zinc/99/83/11/948998311.db2.gz JSTPYFBDSCYFOK-IUODEOHRSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)c1nnc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)s1 ZINC001574435658 948999789 /nfs/dbraw/zinc/99/97/89/948999789.db2.gz XOFBRHXQTKTLGG-SECBINFHSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nnc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)s1 ZINC001574435658 948999794 /nfs/dbraw/zinc/99/97/94/948999794.db2.gz XOFBRHXQTKTLGG-SECBINFHSA-N -1 3 391.461 0.050 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cccc(C(N)=O)n1 ZINC001574690362 949000347 /nfs/dbraw/zinc/00/03/47/949000347.db2.gz OJTIHICNDFUFHU-SNVBAGLBSA-N -1 3 381.400 0.376 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cccc(C(N)=O)n1 ZINC001574690362 949000363 /nfs/dbraw/zinc/00/03/63/949000363.db2.gz OJTIHICNDFUFHU-SNVBAGLBSA-N -1 3 381.400 0.376 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574439831 949018438 /nfs/dbraw/zinc/01/84/38/949018438.db2.gz JTDCBCMTHJZVMW-KOLCDFICSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574439831 949018456 /nfs/dbraw/zinc/01/84/56/949018456.db2.gz JTDCBCMTHJZVMW-KOLCDFICSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574926767 949022350 /nfs/dbraw/zinc/02/23/50/949022350.db2.gz XDETYCIUHSSNRM-ZDUSSCGKSA-N -1 3 386.460 0.829 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574926767 949022331 /nfs/dbraw/zinc/02/23/31/949022331.db2.gz XDETYCIUHSSNRM-ZDUSSCGKSA-N -1 3 386.460 0.829 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575502220 949022724 /nfs/dbraw/zinc/02/27/24/949022724.db2.gz IYWBEYNIEABQEX-RYUDHWBXSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575502220 949022742 /nfs/dbraw/zinc/02/27/42/949022742.db2.gz IYWBEYNIEABQEX-RYUDHWBXSA-N -1 3 384.400 0.013 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001574091494 949022623 /nfs/dbraw/zinc/02/26/23/949022623.db2.gz NURWDZDJDCVKPP-CVEARBPZSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001574091494 949022638 /nfs/dbraw/zinc/02/26/38/949022638.db2.gz NURWDZDJDCVKPP-CVEARBPZSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)c1nnsc1C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574440119 949022812 /nfs/dbraw/zinc/02/28/12/949022812.db2.gz NVPMHHXGTKTNIF-UHFFFAOYSA-N -1 3 389.445 0.672 20 0 GCADHM CC(C)c1nnsc1C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574440119 949022833 /nfs/dbraw/zinc/02/28/33/949022833.db2.gz NVPMHHXGTKTNIF-UHFFFAOYSA-N -1 3 389.445 0.672 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001575502461 949023671 /nfs/dbraw/zinc/02/36/71/949023671.db2.gz GWHOBSGDMIMKLK-SNVBAGLBSA-N -1 3 389.441 0.686 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001575502461 949023687 /nfs/dbraw/zinc/02/36/87/949023687.db2.gz GWHOBSGDMIMKLK-SNVBAGLBSA-N -1 3 389.441 0.686 20 0 GCADHM CC(C)c1noc(CN2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574440089 949023774 /nfs/dbraw/zinc/02/37/74/949023774.db2.gz NBRYAMIHTYSUJB-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1noc(CN2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574440089 949023799 /nfs/dbraw/zinc/02/37/99/949023799.db2.gz NBRYAMIHTYSUJB-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001574691420 949025409 /nfs/dbraw/zinc/02/54/09/949025409.db2.gz XLJJBGDZPZLDIK-VHSXEESVSA-N -1 3 383.420 0.202 20 0 GCADHM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001574691420 949025428 /nfs/dbraw/zinc/02/54/28/949025428.db2.gz XLJJBGDZPZLDIK-VHSXEESVSA-N -1 3 383.420 0.202 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1)[C@@H]1CCCCO1 ZINC001573775041 949029872 /nfs/dbraw/zinc/02/98/72/949029872.db2.gz SJABTXUYXHAYFV-OCCSQVGLSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1)[C@@H]1CCCCO1 ZINC001573775041 949029888 /nfs/dbraw/zinc/02/98/88/949029888.db2.gz SJABTXUYXHAYFV-OCCSQVGLSA-N -1 3 389.460 0.746 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)Oc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575502928 949034970 /nfs/dbraw/zinc/03/49/70/949034970.db2.gz LTKZXTAYWZPVEM-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)Oc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575502928 949034986 /nfs/dbraw/zinc/03/49/86/949034986.db2.gz LTKZXTAYWZPVEM-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574927140 949036079 /nfs/dbraw/zinc/03/60/79/949036079.db2.gz FVEUFOSSFLUJTR-VIFPVBQESA-N -1 3 378.412 0.480 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574927140 949036104 /nfs/dbraw/zinc/03/61/04/949036104.db2.gz FVEUFOSSFLUJTR-VIFPVBQESA-N -1 3 378.412 0.480 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575246601 949038149 /nfs/dbraw/zinc/03/81/49/949038149.db2.gz HBPLOBZGGZQBAJ-NWDGAFQWSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575246601 949038167 /nfs/dbraw/zinc/03/81/67/949038167.db2.gz HBPLOBZGGZQBAJ-NWDGAFQWSA-N -1 3 386.460 0.507 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC001573775539 949043338 /nfs/dbraw/zinc/04/33/38/949043338.db2.gz YSSKPUXCXVJFKM-AWEZNQCLSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC001573775539 949043358 /nfs/dbraw/zinc/04/33/58/949043358.db2.gz YSSKPUXCXVJFKM-AWEZNQCLSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574092246 949055964 /nfs/dbraw/zinc/05/59/64/949055964.db2.gz MVWAYRHTBUOBTB-STQMWFEESA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574092246 949055988 /nfs/dbraw/zinc/05/59/88/949055988.db2.gz MVWAYRHTBUOBTB-STQMWFEESA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nsc(CN[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574441276 949060136 /nfs/dbraw/zinc/06/01/36/949060136.db2.gz JAFMUEVWDWDLFQ-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nsc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574441276 949060158 /nfs/dbraw/zinc/06/01/58/949060158.db2.gz JAFMUEVWDWDLFQ-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001574441473 949061406 /nfs/dbraw/zinc/06/14/06/949061406.db2.gz LQJXBDVYJGYNNS-ZIAGYGMSSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001574441473 949061427 /nfs/dbraw/zinc/06/14/27/949061427.db2.gz LQJXBDVYJGYNNS-ZIAGYGMSSA-N -1 3 384.400 0.353 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001575504309 949068804 /nfs/dbraw/zinc/06/88/04/949068804.db2.gz PXNQPFAKPZMPTQ-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575504422 949070806 /nfs/dbraw/zinc/07/08/06/949070806.db2.gz UDWDZKLNAPEWBR-LLVKDONJSA-N -1 3 386.391 0.816 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575504422 949070826 /nfs/dbraw/zinc/07/08/26/949070826.db2.gz UDWDZKLNAPEWBR-LLVKDONJSA-N -1 3 386.391 0.816 20 0 GCADHM C[C@@H](CNC(=O)CN1Cc2ccccc2C1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574929010 949072844 /nfs/dbraw/zinc/07/28/44/949072844.db2.gz VMZHBTLGPIESOX-LBPRGKRZSA-N -1 3 392.423 0.834 20 0 GCADHM C[C@@H](CNC(=O)CN1Cc2ccccc2C1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574929010 949072825 /nfs/dbraw/zinc/07/28/25/949072825.db2.gz VMZHBTLGPIESOX-LBPRGKRZSA-N -1 3 392.423 0.834 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575248454 949074096 /nfs/dbraw/zinc/07/40/96/949074096.db2.gz SMPDMOVEALUCTD-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575248454 949074085 /nfs/dbraw/zinc/07/40/85/949074085.db2.gz SMPDMOVEALUCTD-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575248451 949076109 /nfs/dbraw/zinc/07/61/09/949076109.db2.gz SMPDMOVEALUCTD-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575248451 949076127 /nfs/dbraw/zinc/07/61/27/949076127.db2.gz SMPDMOVEALUCTD-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1c[nH]cn1 ZINC001573780062 949079657 /nfs/dbraw/zinc/07/96/57/949079657.db2.gz QUUGPNITPWXORX-SNVBAGLBSA-N -1 3 383.416 0.226 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001575248775 949080116 /nfs/dbraw/zinc/08/01/16/949080116.db2.gz VMIGHYPWGBRBLA-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001575248775 949080132 /nfs/dbraw/zinc/08/01/32/949080132.db2.gz VMIGHYPWGBRBLA-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(C)(C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)C(F)F ZINC001573780229 949087340 /nfs/dbraw/zinc/08/73/40/949087340.db2.gz TVJAEDXSXCBLOK-UHFFFAOYSA-N -1 3 380.399 0.821 20 0 GCADHM CC(C)(C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)C(F)F ZINC001573780229 949087360 /nfs/dbraw/zinc/08/73/60/949087360.db2.gz TVJAEDXSXCBLOK-UHFFFAOYSA-N -1 3 380.399 0.821 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574929470 949092287 /nfs/dbraw/zinc/09/22/87/949092287.db2.gz DWIWHDGASNXGKT-IUODEOHRSA-N -1 3 392.435 0.748 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574929470 949092267 /nfs/dbraw/zinc/09/22/67/949092267.db2.gz DWIWHDGASNXGKT-IUODEOHRSA-N -1 3 392.435 0.748 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574442378 949096788 /nfs/dbraw/zinc/09/67/88/949096788.db2.gz NEASIJVBKMOEEO-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574442378 949096807 /nfs/dbraw/zinc/09/68/07/949096807.db2.gz NEASIJVBKMOEEO-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574442708 949101282 /nfs/dbraw/zinc/10/12/82/949101282.db2.gz RITQVKUHKOECQL-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574442708 949101290 /nfs/dbraw/zinc/10/12/90/949101290.db2.gz RITQVKUHKOECQL-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574929855 949104692 /nfs/dbraw/zinc/10/46/92/949104692.db2.gz INRPYYCEOQNHFW-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574929855 949104705 /nfs/dbraw/zinc/10/47/05/949104705.db2.gz INRPYYCEOQNHFW-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574930129 949104877 /nfs/dbraw/zinc/10/48/77/949104877.db2.gz JOKSJPFYIMLSFF-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574930129 949104898 /nfs/dbraw/zinc/10/48/98/949104898.db2.gz JOKSJPFYIMLSFF-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574930604 949106087 /nfs/dbraw/zinc/10/60/87/949106087.db2.gz KQNHXPUKNUIEGV-RYUDHWBXSA-N -1 3 378.408 0.976 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574930604 949106097 /nfs/dbraw/zinc/10/60/97/949106097.db2.gz KQNHXPUKNUIEGV-RYUDHWBXSA-N -1 3 378.408 0.976 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574930622 949107261 /nfs/dbraw/zinc/10/72/61/949107261.db2.gz KRWLNNYPYTYCNQ-PWSUYJOCSA-N -1 3 379.396 0.147 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574930622 949107246 /nfs/dbraw/zinc/10/72/46/949107246.db2.gz KRWLNNYPYTYCNQ-PWSUYJOCSA-N -1 3 379.396 0.147 20 0 GCADHM C[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)C(N)=O ZINC001575509455 949112041 /nfs/dbraw/zinc/11/20/41/949112041.db2.gz CDWYCNQPUSIPDS-YGRLFVJLSA-N -1 3 387.425 0.198 20 0 GCADHM C[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)C(N)=O ZINC001575509455 949112058 /nfs/dbraw/zinc/11/20/58/949112058.db2.gz CDWYCNQPUSIPDS-YGRLFVJLSA-N -1 3 387.425 0.198 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001575250390 949113633 /nfs/dbraw/zinc/11/36/33/949113633.db2.gz FXTFCHWKZZWWHK-NWDGAFQWSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575250729 949118133 /nfs/dbraw/zinc/11/81/33/949118133.db2.gz HEAQHKZJTMGFQH-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575250729 949118138 /nfs/dbraw/zinc/11/81/38/949118138.db2.gz HEAQHKZJTMGFQH-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](CNC(=O)COC1CCCC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574932091 949128373 /nfs/dbraw/zinc/12/83/73/949128373.db2.gz UZFGVUKCFJJKPC-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)COC1CCCC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574932091 949128361 /nfs/dbraw/zinc/12/83/61/949128361.db2.gz UZFGVUKCFJJKPC-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574446569 949133512 /nfs/dbraw/zinc/13/35/12/949133512.db2.gz RIACQNHQLVESRJ-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574446569 949133530 /nfs/dbraw/zinc/13/35/30/949133530.db2.gz RIACQNHQLVESRJ-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574932311 949134157 /nfs/dbraw/zinc/13/41/57/949134157.db2.gz XVIIPNQLXQCQIZ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574932311 949134138 /nfs/dbraw/zinc/13/41/38/949134138.db2.gz XVIIPNQLXQCQIZ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C(F)(F)CO)nn1 ZINC001575512237 949136657 /nfs/dbraw/zinc/13/66/57/949136657.db2.gz NDTGRNRYDSSUOH-SECBINFHSA-N -1 3 378.343 0.833 20 0 GCADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cn(C(F)(F)CO)nn1 ZINC001575512237 949136665 /nfs/dbraw/zinc/13/66/65/949136665.db2.gz NDTGRNRYDSSUOH-SECBINFHSA-N -1 3 378.343 0.833 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575512014 949137360 /nfs/dbraw/zinc/13/73/60/949137360.db2.gz MFULIGUCPZCKCT-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575512014 949137375 /nfs/dbraw/zinc/13/73/75/949137375.db2.gz MFULIGUCPZCKCT-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](c1cccc(F)c1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575512498 949138361 /nfs/dbraw/zinc/13/83/61/949138361.db2.gz NNOLZIFIZQKIIJ-UHNFBRDESA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574934044 949147032 /nfs/dbraw/zinc/14/70/32/949147032.db2.gz AUACUQLXZVHTOZ-LBPRGKRZSA-N -1 3 383.412 0.756 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574934044 949147045 /nfs/dbraw/zinc/14/70/45/949147045.db2.gz AUACUQLXZVHTOZ-LBPRGKRZSA-N -1 3 383.412 0.756 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574933984 949147824 /nfs/dbraw/zinc/14/78/24/949147824.db2.gz AHFVMWYAZXBRHX-GFCCVEGCSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574933984 949147836 /nfs/dbraw/zinc/14/78/36/949147836.db2.gz AHFVMWYAZXBRHX-GFCCVEGCSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574697765 949159105 /nfs/dbraw/zinc/15/91/05/949159105.db2.gz BQPKTURSGBDYKK-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574697765 949159123 /nfs/dbraw/zinc/15/91/23/949159123.db2.gz BQPKTURSGBDYKK-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)c1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574697768 949161233 /nfs/dbraw/zinc/16/12/33/949161233.db2.gz BQPKTURSGBDYKK-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)c1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574697768 949161246 /nfs/dbraw/zinc/16/12/46/949161246.db2.gz BQPKTURSGBDYKK-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252413 949162701 /nfs/dbraw/zinc/16/27/01/949162701.db2.gz GDBPUDVZJVXSLT-MFKMUULPSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252413 949162693 /nfs/dbraw/zinc/16/26/93/949162693.db2.gz GDBPUDVZJVXSLT-MFKMUULPSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252407 949163290 /nfs/dbraw/zinc/16/32/90/949163290.db2.gz GDBPUDVZJVXSLT-GWCFXTLKSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252407 949163297 /nfs/dbraw/zinc/16/32/97/949163297.db2.gz GDBPUDVZJVXSLT-GWCFXTLKSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575252655 949167618 /nfs/dbraw/zinc/16/76/18/949167618.db2.gz GQQPMURCAVRVIY-NSHDSACASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575252655 949167610 /nfs/dbraw/zinc/16/76/10/949167610.db2.gz GQQPMURCAVRVIY-NSHDSACASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575252697 949171917 /nfs/dbraw/zinc/17/19/17/949171917.db2.gz RBXKTTNRDNNNFE-GHMZBOCLSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575252697 949171933 /nfs/dbraw/zinc/17/19/33/949171933.db2.gz RBXKTTNRDNNNFE-GHMZBOCLSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575252719 949172125 /nfs/dbraw/zinc/17/21/25/949172125.db2.gz GYNXFVLHTWVAKH-LLVKDONJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575252719 949172116 /nfs/dbraw/zinc/17/21/16/949172116.db2.gz GYNXFVLHTWVAKH-LLVKDONJSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)N1CCOCC1 ZINC001573787201 949172862 /nfs/dbraw/zinc/17/28/62/949172862.db2.gz PIGGCNPLIRDKAE-OKILXGFUSA-N -1 3 386.460 0.432 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)N1CCOCC1 ZINC001573787201 949172870 /nfs/dbraw/zinc/17/28/70/949172870.db2.gz PIGGCNPLIRDKAE-OKILXGFUSA-N -1 3 386.460 0.432 20 0 GCADHM C[C@@H](CNC(=O)COc1ccc(F)cc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934746 949174573 /nfs/dbraw/zinc/17/45/73/949174573.db2.gz PTGKSBAHLGWFHU-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CNC(=O)COc1ccc(F)cc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934746 949174584 /nfs/dbraw/zinc/17/45/84/949174584.db2.gz PTGKSBAHLGWFHU-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934726 949174885 /nfs/dbraw/zinc/17/48/85/949174885.db2.gz PHTKPRADVJXHJK-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934726 949174897 /nfs/dbraw/zinc/17/48/97/949174897.db2.gz PHTKPRADVJXHJK-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)C(F)(F)F ZINC001573787356 949175663 /nfs/dbraw/zinc/17/56/63/949175663.db2.gz VTBZVOSBJDPBFU-NXEZZACHSA-N -1 3 385.350 0.516 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)C(F)(F)F ZINC001573787356 949175680 /nfs/dbraw/zinc/17/56/80/949175680.db2.gz VTBZVOSBJDPBFU-NXEZZACHSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574934766 949176724 /nfs/dbraw/zinc/17/67/24/949176724.db2.gz QCXIDFIJAWZONI-LLVKDONJSA-N -1 3 388.407 0.873 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574934766 949176735 /nfs/dbraw/zinc/17/67/35/949176735.db2.gz QCXIDFIJAWZONI-LLVKDONJSA-N -1 3 388.407 0.873 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574448166 949179010 /nfs/dbraw/zinc/17/90/10/949179010.db2.gz DUSAYWDGRARPBR-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574448166 949179022 /nfs/dbraw/zinc/17/90/22/949179022.db2.gz DUSAYWDGRARPBR-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)C(F)F ZINC001573787433 949180753 /nfs/dbraw/zinc/18/07/53/949180753.db2.gz ZUHCZIKPLWCTHE-MWLCHTKSSA-N -1 3 384.362 0.963 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)C(F)F ZINC001573787433 949180764 /nfs/dbraw/zinc/18/07/64/949180764.db2.gz ZUHCZIKPLWCTHE-MWLCHTKSSA-N -1 3 384.362 0.963 20 0 GCADHM CC(C)c1oncc1C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574448419 949187307 /nfs/dbraw/zinc/18/73/07/949187307.db2.gz LINQWJUYPOZFTO-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1oncc1C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574448419 949187321 /nfs/dbraw/zinc/18/73/21/949187321.db2.gz LINQWJUYPOZFTO-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)n1cccc1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575253537 949189557 /nfs/dbraw/zinc/18/95/57/949189557.db2.gz URMQTDGHHFXJAQ-VXGBXAGGSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)n1cccc1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575253537 949189564 /nfs/dbraw/zinc/18/95/64/949189564.db2.gz URMQTDGHHFXJAQ-VXGBXAGGSA-N -1 3 382.428 0.834 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001573788110 949190107 /nfs/dbraw/zinc/19/01/07/949190107.db2.gz GLWMFHXDKVXBDA-VXGBXAGGSA-N -1 3 384.444 0.613 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001573788110 949190118 /nfs/dbraw/zinc/19/01/18/949190118.db2.gz GLWMFHXDKVXBDA-VXGBXAGGSA-N -1 3 384.444 0.613 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574698398 949190710 /nfs/dbraw/zinc/19/07/10/949190710.db2.gz KGCHBKVTDXICEH-MNOVXSKESA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)OCC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574698398 949190728 /nfs/dbraw/zinc/19/07/28/949190728.db2.gz KGCHBKVTDXICEH-MNOVXSKESA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574935026 949193065 /nfs/dbraw/zinc/19/30/65/949193065.db2.gz XEXLZHWRBCTBKP-GFCCVEGCSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574935026 949193080 /nfs/dbraw/zinc/19/30/80/949193080.db2.gz XEXLZHWRBCTBKP-GFCCVEGCSA-N -1 3 385.432 0.376 20 0 GCADHM CC(C)c1ocnc1CNC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574449377 949196138 /nfs/dbraw/zinc/19/61/38/949196138.db2.gz QDCIFSLLSABTKA-GFCCVEGCSA-N -1 3 388.432 0.529 20 0 GCADHM CC(C)c1ocnc1CNC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574449377 949196149 /nfs/dbraw/zinc/19/61/49/949196149.db2.gz QDCIFSLLSABTKA-GFCCVEGCSA-N -1 3 388.432 0.529 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574449396 949196483 /nfs/dbraw/zinc/19/64/83/949196483.db2.gz QROVZEYNQPYSOL-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574449396 949196493 /nfs/dbraw/zinc/19/64/93/949196493.db2.gz QROVZEYNQPYSOL-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001573788518 949197324 /nfs/dbraw/zinc/19/73/24/949197324.db2.gz LBCIQSAVDWUNRO-DRZSPHRISA-N -1 3 384.444 0.247 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001573788518 949197335 /nfs/dbraw/zinc/19/73/35/949197335.db2.gz LBCIQSAVDWUNRO-DRZSPHRISA-N -1 3 384.444 0.247 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574449891 949203142 /nfs/dbraw/zinc/20/31/42/949203142.db2.gz UUUZZWOYGPMHAF-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574449891 949203157 /nfs/dbraw/zinc/20/31/57/949203157.db2.gz UUUZZWOYGPMHAF-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1oncc1C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1 ZINC001574449433 949203418 /nfs/dbraw/zinc/20/34/18/949203418.db2.gz SDLYFQWNHLXOPN-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM CC(C)c1oncc1C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1 ZINC001574449433 949203437 /nfs/dbraw/zinc/20/34/37/949203437.db2.gz SDLYFQWNHLXOPN-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM CC(C)c1oncc1C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574449915 949205386 /nfs/dbraw/zinc/20/53/86/949205386.db2.gz VTQSNXCPOJRLCC-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1oncc1C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574449915 949205406 /nfs/dbraw/zinc/20/54/06/949205406.db2.gz VTQSNXCPOJRLCC-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576151177 949212688 /nfs/dbraw/zinc/21/26/88/949212688.db2.gz DGRHHQRRPLFGTF-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576151177 949212706 /nfs/dbraw/zinc/21/27/06/949212706.db2.gz DGRHHQRRPLFGTF-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001589604217 949219276 /nfs/dbraw/zinc/21/92/76/949219276.db2.gz AERUZLVTYXHTOH-LJQANCHMSA-N -1 3 377.441 0.744 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@H](N(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573791703 949222938 /nfs/dbraw/zinc/22/29/38/949222938.db2.gz DINCYDCTAGPTPG-CYBMUJFWSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@H](N(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573791703 949222954 /nfs/dbraw/zinc/22/29/54/949222954.db2.gz DINCYDCTAGPTPG-CYBMUJFWSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573791747 949226941 /nfs/dbraw/zinc/22/69/41/949226941.db2.gz DXWXXJCRVFHTKL-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573791747 949226961 /nfs/dbraw/zinc/22/69/61/949226961.db2.gz DXWXXJCRVFHTKL-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@H](N(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573792163 949236932 /nfs/dbraw/zinc/23/69/32/949236932.db2.gz MBPBWRSZIVAXFN-CYBMUJFWSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@H](N(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573792163 949236954 /nfs/dbraw/zinc/23/69/54/949236954.db2.gz MBPBWRSZIVAXFN-CYBMUJFWSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001574451813 949248559 /nfs/dbraw/zinc/24/85/59/949248559.db2.gz ZZOSLBLHXYEHMJ-CHWSQXEVSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001574451813 949248574 /nfs/dbraw/zinc/24/85/74/949248574.db2.gz ZZOSLBLHXYEHMJ-CHWSQXEVSA-N -1 3 384.400 0.353 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001575521124 949254162 /nfs/dbraw/zinc/25/41/62/949254162.db2.gz CLGSNOPGENEOEZ-ZWNOBZJWSA-N -1 3 384.448 0.525 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001575521124 949254183 /nfs/dbraw/zinc/25/41/83/949254183.db2.gz CLGSNOPGENEOEZ-ZWNOBZJWSA-N -1 3 384.448 0.525 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575521298 949255619 /nfs/dbraw/zinc/25/56/19/949255619.db2.gz FQAYQTJXQMCTCC-PKFCDNJMSA-N -1 3 385.457 0.954 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575521298 949255639 /nfs/dbraw/zinc/25/56/39/949255639.db2.gz FQAYQTJXQMCTCC-PKFCDNJMSA-N -1 3 385.457 0.954 20 0 GCADHM CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001575856707 949256539 /nfs/dbraw/zinc/25/65/39/949256539.db2.gz IWZKKFITOGBRTC-UHFFFAOYSA-N -1 3 382.432 0.806 20 0 GCADHM CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001575856707 949256561 /nfs/dbraw/zinc/25/65/61/949256561.db2.gz IWZKKFITOGBRTC-UHFFFAOYSA-N -1 3 382.432 0.806 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575256888 949260697 /nfs/dbraw/zinc/26/06/97/949260697.db2.gz XMOZAOFSPRUMKP-QWRGUYRKSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575256888 949260718 /nfs/dbraw/zinc/26/07/18/949260718.db2.gz XMOZAOFSPRUMKP-QWRGUYRKSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)(C)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3nnn[n-]3)[nH]1)O2 ZINC001573792714 949262185 /nfs/dbraw/zinc/26/21/85/949262185.db2.gz UGJXWLAWTBIBDB-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3nn[n-]n3)[nH]1)O2 ZINC001573792714 949262204 /nfs/dbraw/zinc/26/22/04/949262204.db2.gz UGJXWLAWTBIBDB-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nncn1C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575521958 949266224 /nfs/dbraw/zinc/26/62/24/949266224.db2.gz JHQPAFVUCQOYMT-GFCCVEGCSA-N -1 3 386.464 0.867 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nncn1C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575521958 949266239 /nfs/dbraw/zinc/26/62/39/949266239.db2.gz JHQPAFVUCQOYMT-GFCCVEGCSA-N -1 3 386.464 0.867 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573792855 949267230 /nfs/dbraw/zinc/26/72/30/949267230.db2.gz GHJAJOMNUOBPBJ-CABCVRRESA-N -1 3 386.456 0.533 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575522044 949267187 /nfs/dbraw/zinc/26/71/87/949267187.db2.gz KEFIAJHCAUSCIM-RYUDHWBXSA-N -1 3 384.448 0.478 20 0 GCADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cn1 ZINC001574452882 949268286 /nfs/dbraw/zinc/26/82/86/949268286.db2.gz PTGYMSBOMBAXLG-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC001574452882 949268306 /nfs/dbraw/zinc/26/83/06/949268306.db2.gz PTGYMSBOMBAXLG-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001574452851 949268676 /nfs/dbraw/zinc/26/86/76/949268676.db2.gz OGHPWSADKOFOLY-LLVKDONJSA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001574452851 949268692 /nfs/dbraw/zinc/26/86/92/949268692.db2.gz OGHPWSADKOFOLY-LLVKDONJSA-N -1 3 384.404 0.012 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575522046 949269387 /nfs/dbraw/zinc/26/93/87/949269387.db2.gz KEFIAJHCAUSCIM-VXGBXAGGSA-N -1 3 384.448 0.478 20 0 GCADHM CC(C)CC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574106110 949272954 /nfs/dbraw/zinc/27/29/54/949272954.db2.gz FADQCUBCACNMHQ-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574106110 949272974 /nfs/dbraw/zinc/27/29/74/949272974.db2.gz FADQCUBCACNMHQ-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575522491 949274755 /nfs/dbraw/zinc/27/47/55/949274755.db2.gz MBGNSYDINKRXKK-ONGXEEELSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575522491 949274771 /nfs/dbraw/zinc/27/47/71/949274771.db2.gz MBGNSYDINKRXKK-ONGXEEELSA-N -1 3 391.461 0.172 20 0 GCADHM CC(C)(C)C(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573792944 949277774 /nfs/dbraw/zinc/27/77/74/949277774.db2.gz XTXAVXBQMKMMNH-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573792944 949277799 /nfs/dbraw/zinc/27/77/99/949277799.db2.gz XTXAVXBQMKMMNH-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H](c1nncn1C)N(C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575522983 949279228 /nfs/dbraw/zinc/27/92/28/949279228.db2.gz NVCQFERVJBLEBH-LLVKDONJSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N(C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575522983 949279243 /nfs/dbraw/zinc/27/92/43/949279243.db2.gz NVCQFERVJBLEBH-LLVKDONJSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576153164 949282115 /nfs/dbraw/zinc/28/21/15/949282115.db2.gz LBGBEJCFXAZAIO-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576153164 949282136 /nfs/dbraw/zinc/28/21/36/949282136.db2.gz LBGBEJCFXAZAIO-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575522526 949283697 /nfs/dbraw/zinc/28/36/97/949283697.db2.gz MGUUJJZDMRXNNY-ZYHUDNBSSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575522526 949283712 /nfs/dbraw/zinc/28/37/12/949283712.db2.gz MGUUJJZDMRXNNY-ZYHUDNBSSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574702414 949283649 /nfs/dbraw/zinc/28/36/49/949283649.db2.gz ITQDSUUZNFBSIO-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574702414 949283669 /nfs/dbraw/zinc/28/36/69/949283669.db2.gz ITQDSUUZNFBSIO-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574453169 949283977 /nfs/dbraw/zinc/28/39/77/949283977.db2.gz XWLGAPGLIIOTNK-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574453169 949283993 /nfs/dbraw/zinc/28/39/93/949283993.db2.gz XWLGAPGLIIOTNK-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001574453175 949284158 /nfs/dbraw/zinc/28/41/58/949284158.db2.gz YIIHGQVAXIHXOV-UHFFFAOYSA-N -1 3 386.420 0.211 20 0 GCADHM CC(C)n1cc(C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001574453175 949284176 /nfs/dbraw/zinc/28/41/76/949284176.db2.gz YIIHGQVAXIHXOV-UHFFFAOYSA-N -1 3 386.420 0.211 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575257915 949286018 /nfs/dbraw/zinc/28/60/18/949286018.db2.gz CTQMQCMXOXNZRA-GHMZBOCLSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575257915 949286036 /nfs/dbraw/zinc/28/60/36/949286036.db2.gz CTQMQCMXOXNZRA-GHMZBOCLSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575523084 949287157 /nfs/dbraw/zinc/28/71/57/949287157.db2.gz PFIXQDPYZBUWLX-ZJUUUORDSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575523084 949287175 /nfs/dbraw/zinc/28/71/75/949287175.db2.gz PFIXQDPYZBUWLX-ZJUUUORDSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576153418 949287409 /nfs/dbraw/zinc/28/74/09/949287409.db2.gz MBKXFCNUTKADLI-KPZWWZAWSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576153418 949287430 /nfs/dbraw/zinc/28/74/30/949287430.db2.gz MBKXFCNUTKADLI-KPZWWZAWSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573793132 949288571 /nfs/dbraw/zinc/28/85/71/949288571.db2.gz MELMPZSMXFMPIM-LLVKDONJSA-N -1 3 391.407 0.337 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575523335 949288309 /nfs/dbraw/zinc/28/83/09/949288309.db2.gz AAJNPLRVDIHCMY-GXSJLCMTSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575523335 949288332 /nfs/dbraw/zinc/28/83/32/949288332.db2.gz AAJNPLRVDIHCMY-GXSJLCMTSA-N -1 3 383.420 0.082 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573793132 949288589 /nfs/dbraw/zinc/28/85/89/949288589.db2.gz MELMPZSMXFMPIM-LLVKDONJSA-N -1 3 391.407 0.337 20 0 GCADHM CC(C)n1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001574454802 949290043 /nfs/dbraw/zinc/29/00/43/949290043.db2.gz FYPSPPORTXUUBE-KBPBESRZSA-N -1 3 382.432 0.466 20 0 GCADHM CC(C)n1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001574454802 949290063 /nfs/dbraw/zinc/29/00/63/949290063.db2.gz FYPSPPORTXUUBE-KBPBESRZSA-N -1 3 382.432 0.466 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576153466 949291270 /nfs/dbraw/zinc/29/12/70/949291270.db2.gz MPIBXECBNLHGNT-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576153466 949291289 /nfs/dbraw/zinc/29/12/89/949291289.db2.gz MPIBXECBNLHGNT-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001575523387 949292229 /nfs/dbraw/zinc/29/22/29/949292229.db2.gz PTXUTWFCAILHIF-LHMODEAPSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001575523387 949292251 /nfs/dbraw/zinc/29/22/51/949292251.db2.gz PTXUTWFCAILHIF-LHMODEAPSA-N -1 3 382.432 0.420 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001574454988 949295596 /nfs/dbraw/zinc/29/55/96/949295596.db2.gz KSBNSFULTLXFQT-JTQLQIEISA-N -1 3 386.420 0.306 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001574454988 949295616 /nfs/dbraw/zinc/29/56/16/949295616.db2.gz KSBNSFULTLXFQT-JTQLQIEISA-N -1 3 386.420 0.306 20 0 GCADHM CC1=C(C(=O)N2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCCO1 ZINC001575860426 949296287 /nfs/dbraw/zinc/29/62/87/949296287.db2.gz HQSRORHQEJGTHT-UHFFFAOYSA-N -1 3 385.428 0.954 20 0 GCADHM CC1=C(C(=O)N2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCCO1 ZINC001575860426 949296305 /nfs/dbraw/zinc/29/63/05/949296305.db2.gz HQSRORHQEJGTHT-UHFFFAOYSA-N -1 3 385.428 0.954 20 0 GCADHM CC(C)(C)C(=O)C(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C1 ZINC001573793526 949297814 /nfs/dbraw/zinc/29/78/14/949297814.db2.gz TXCHITWCBFPGNP-NEPJUHHUSA-N -1 3 399.455 0.731 20 0 GCADHM CC(C)(C)C(=O)C(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C1 ZINC001573793526 949297835 /nfs/dbraw/zinc/29/78/35/949297835.db2.gz TXCHITWCBFPGNP-NEPJUHHUSA-N -1 3 399.455 0.731 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573793498 949298689 /nfs/dbraw/zinc/29/86/89/949298689.db2.gz SDZMUJNPWOGKMG-MNOVXSKESA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573793498 949298709 /nfs/dbraw/zinc/29/87/09/949298709.db2.gz SDZMUJNPWOGKMG-MNOVXSKESA-N -1 3 387.444 0.825 20 0 GCADHM C[C@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001575523902 949300382 /nfs/dbraw/zinc/30/03/82/949300382.db2.gz RLMHVWNIIFMJDZ-MHWZDGSBSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001575523902 949300388 /nfs/dbraw/zinc/30/03/88/949300388.db2.gz RLMHVWNIIFMJDZ-MHWZDGSBSA-N -1 3 382.432 0.420 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)cn1 ZINC001574455597 949304082 /nfs/dbraw/zinc/30/40/82/949304082.db2.gz QSWDZBUEJUFOCW-IAQYHMDHSA-N -1 3 397.443 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)cn1 ZINC001574455597 949304098 /nfs/dbraw/zinc/30/40/98/949304098.db2.gz QSWDZBUEJUFOCW-IAQYHMDHSA-N -1 3 397.443 0.863 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153863 949305580 /nfs/dbraw/zinc/30/55/80/949305580.db2.gz NNMXPIVWEQIGKZ-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153863 949305603 /nfs/dbraw/zinc/30/56/03/949305603.db2.gz NNMXPIVWEQIGKZ-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153859 949307543 /nfs/dbraw/zinc/30/75/43/949307543.db2.gz NNMXPIVWEQIGKZ-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153859 949307564 /nfs/dbraw/zinc/30/75/64/949307564.db2.gz NNMXPIVWEQIGKZ-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C)C(=O)C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573793799 949307964 /nfs/dbraw/zinc/30/79/64/949307964.db2.gz ZWXDCTRJBUQYMP-UHFFFAOYSA-N -1 3 390.419 0.284 20 0 GCADHM CC(C)(C)C(=O)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573793799 949307979 /nfs/dbraw/zinc/30/79/79/949307979.db2.gz ZWXDCTRJBUQYMP-UHFFFAOYSA-N -1 3 390.419 0.284 20 0 GCADHM CC1=C(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001575860661 949308427 /nfs/dbraw/zinc/30/84/27/949308427.db2.gz KSFRWYIPCFKRSX-JTQLQIEISA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001575860661 949308448 /nfs/dbraw/zinc/30/84/48/949308448.db2.gz KSFRWYIPCFKRSX-JTQLQIEISA-N -1 3 385.428 0.856 20 0 GCADHM C[C@@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574941527 949310582 /nfs/dbraw/zinc/31/05/82/949310582.db2.gz RMWJOAXTEMEIFR-SFHVURJKSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574941527 949310603 /nfs/dbraw/zinc/31/06/03/949310603.db2.gz RMWJOAXTEMEIFR-SFHVURJKSA-N -1 3 382.428 0.780 20 0 GCADHM CC(C)n1cc(CN2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)nn1 ZINC001574455640 949311146 /nfs/dbraw/zinc/31/11/46/949311146.db2.gz SVJVFLCYFJXCQL-BLLLJJGKSA-N -1 3 396.459 0.714 20 0 GCADHM CC(C)n1cc(CN2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)nn1 ZINC001574455640 949311168 /nfs/dbraw/zinc/31/11/68/949311168.db2.gz SVJVFLCYFJXCQL-BLLLJJGKSA-N -1 3 396.459 0.714 20 0 GCADHM CC(C)n1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001574455757 949312261 /nfs/dbraw/zinc/31/22/61/949312261.db2.gz WWNSYOUDOJJOKY-KBPBESRZSA-N -1 3 382.432 0.466 20 0 GCADHM CC(C)n1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001574455757 949312277 /nfs/dbraw/zinc/31/22/77/949312277.db2.gz WWNSYOUDOJJOKY-KBPBESRZSA-N -1 3 382.432 0.466 20 0 GCADHM CC(C)(C)C(=O)N1CCN(C2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001573794100 949314127 /nfs/dbraw/zinc/31/41/27/949314127.db2.gz ATQHNQHEZOEGIM-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)(C)C(=O)N1CCN(C2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001573794100 949314150 /nfs/dbraw/zinc/31/41/50/949314150.db2.gz ATQHNQHEZOEGIM-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)n1 ZINC001574457228 949317409 /nfs/dbraw/zinc/31/74/09/949317409.db2.gz CNAOJGFFXIELBZ-HUUCEWRRSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)n1 ZINC001574457228 949317430 /nfs/dbraw/zinc/31/74/30/949317430.db2.gz CNAOJGFFXIELBZ-HUUCEWRRSA-N -1 3 383.416 0.019 20 0 GCADHM CC1=C(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001575861194 949318255 /nfs/dbraw/zinc/31/82/55/949318255.db2.gz PFEKJWJHAZMNJG-MEBBXXQBSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001575861194 949318273 /nfs/dbraw/zinc/31/82/73/949318273.db2.gz PFEKJWJHAZMNJG-MEBBXXQBSA-N -1 3 385.428 0.856 20 0 GCADHM CC(C)n1ccc(C(=O)NC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001574457238 949318386 /nfs/dbraw/zinc/31/83/86/949318386.db2.gz DCXGOIHSAARUSU-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1ccc(C(=O)NC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001574457238 949318403 /nfs/dbraw/zinc/31/84/03/949318403.db2.gz DCXGOIHSAARUSU-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)CCCO1 ZINC001575861226 949320773 /nfs/dbraw/zinc/32/07/73/949320773.db2.gz QLPDSKGSBCAATR-BMIGLBTASA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)CCCO1 ZINC001575861226 949320791 /nfs/dbraw/zinc/32/07/91/949320791.db2.gz QLPDSKGSBCAATR-BMIGLBTASA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001575524585 949320822 /nfs/dbraw/zinc/32/08/22/949320822.db2.gz UVTMSEQOQJSJGN-WUWHUORYSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001575524585 949320842 /nfs/dbraw/zinc/32/08/42/949320842.db2.gz UVTMSEQOQJSJGN-WUWHUORYSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@]1(C)CCCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574703302 949321760 /nfs/dbraw/zinc/32/17/60/949321760.db2.gz ULXRTGHQZSXDME-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@]1(C)CCCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574703302 949321782 /nfs/dbraw/zinc/32/17/82/949321782.db2.gz ULXRTGHQZSXDME-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](NC(=O)C1CC(F)(F)C1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575259183 949322355 /nfs/dbraw/zinc/32/23/55/949322355.db2.gz NKJIXHIAVBXTQG-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](NC(=O)C1CC(F)(F)C1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575259183 949322376 /nfs/dbraw/zinc/32/23/76/949322376.db2.gz NKJIXHIAVBXTQG-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM CC1=C(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001575861573 949324046 /nfs/dbraw/zinc/32/40/46/949324046.db2.gz UGCLQZVQTZAIMA-CYBMUJFWSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001575861573 949324063 /nfs/dbraw/zinc/32/40/63/949324063.db2.gz UGCLQZVQTZAIMA-CYBMUJFWSA-N -1 3 385.428 1.000 20 0 GCADHM C[C@@H](CNC(=O)Cc1c[nH]cn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574941996 949325559 /nfs/dbraw/zinc/32/55/59/949325559.db2.gz IFLPOHJEWQYCIF-ZETCQYMHSA-N -1 3 381.853 0.883 20 0 GCADHM C[C@@H](CNC(=O)Cc1c[nH]cn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574941996 949325580 /nfs/dbraw/zinc/32/55/80/949325580.db2.gz IFLPOHJEWQYCIF-ZETCQYMHSA-N -1 3 381.853 0.883 20 0 GCADHM CC1=C(C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001575861575 949327377 /nfs/dbraw/zinc/32/73/77/949327377.db2.gz UGCLQZVQTZAIMA-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001575861575 949327396 /nfs/dbraw/zinc/32/73/96/949327396.db2.gz UGCLQZVQTZAIMA-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575524624 949327361 /nfs/dbraw/zinc/32/73/61/949327361.db2.gz UZUUOPSZYHFUEM-COPLHBTASA-N -1 3 382.432 0.231 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575524624 949327381 /nfs/dbraw/zinc/32/73/81/949327381.db2.gz UZUUOPSZYHFUEM-COPLHBTASA-N -1 3 382.432 0.231 20 0 GCADHM C[C@@H](CNC(=O)Cc1cccc(F)c1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574942176 949337114 /nfs/dbraw/zinc/33/71/14/949337114.db2.gz XCHBLYILIDSXOH-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)Cc1cccc(F)c1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574942176 949337133 /nfs/dbraw/zinc/33/71/33/949337133.db2.gz XCHBLYILIDSXOH-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)(C)C(=O)N1CCN(CCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573796509 949337415 /nfs/dbraw/zinc/33/74/15/949337415.db2.gz SFRVERZYSFDCIH-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)C(=O)N1CCN(CCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573796509 949337439 /nfs/dbraw/zinc/33/74/39/949337439.db2.gz SFRVERZYSFDCIH-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H]2C)CCCO1 ZINC001575862151 949339443 /nfs/dbraw/zinc/33/94/43/949339443.db2.gz YDHQWVYDWNDDBU-GXFFZTMASA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H]2C)CCCO1 ZINC001575862151 949339464 /nfs/dbraw/zinc/33/94/64/949339464.db2.gz YDHQWVYDWNDDBU-GXFFZTMASA-N -1 3 385.428 0.998 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574110045 949341349 /nfs/dbraw/zinc/34/13/49/949341349.db2.gz NQSBMUIBDFZVKW-BXUZGUMPSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574110045 949341369 /nfs/dbraw/zinc/34/13/69/949341369.db2.gz NQSBMUIBDFZVKW-BXUZGUMPSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574458637 949341546 /nfs/dbraw/zinc/34/15/46/949341546.db2.gz VIGNTUGXKIZILD-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574458637 949341569 /nfs/dbraw/zinc/34/15/69/949341569.db2.gz VIGNTUGXKIZILD-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nc2)CCCOC1 ZINC001575525729 949353029 /nfs/dbraw/zinc/35/30/29/949353029.db2.gz PYUJQKLFLZOVGX-KRWDZBQOSA-N -1 3 375.433 0.311 20 0 GCADHM C[C@]1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nc2)CCCOC1 ZINC001575525729 949353053 /nfs/dbraw/zinc/35/30/53/949353053.db2.gz PYUJQKLFLZOVGX-KRWDZBQOSA-N -1 3 375.433 0.311 20 0 GCADHM C[C@H](CNC(=O)Cc1cncn1C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574942442 949356730 /nfs/dbraw/zinc/35/67/30/949356730.db2.gz OLJVOFXTAPRTNR-SNVBAGLBSA-N -1 3 389.851 0.832 20 0 GCADHM C[C@H](CNC(=O)Cc1cncn1C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574942442 949356751 /nfs/dbraw/zinc/35/67/51/949356751.db2.gz OLJVOFXTAPRTNR-SNVBAGLBSA-N -1 3 389.851 0.832 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575525936 949357023 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CC(C)n1cnc(C(=O)N2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001574464635 949421407 /nfs/dbraw/zinc/42/14/07/949421407.db2.gz PAFQRUCZQBCWJK-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ncccc1-c1nnn[n-]1 ZINC001574946005 949423067 /nfs/dbraw/zinc/42/30/67/949423067.db2.gz RPQMEPIDYZIQLI-JTQLQIEISA-N -1 3 382.432 0.427 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ncccc1-c1nn[n-]n1 ZINC001574946005 949423078 /nfs/dbraw/zinc/42/30/78/949423078.db2.gz RPQMEPIDYZIQLI-JTQLQIEISA-N -1 3 382.432 0.427 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574465033 949425438 /nfs/dbraw/zinc/42/54/38/949425438.db2.gz UBSWHCOUWYNRDC-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574465033 949425449 /nfs/dbraw/zinc/42/54/49/949425449.db2.gz UBSWHCOUWYNRDC-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576155943 949426927 /nfs/dbraw/zinc/42/69/27/949426927.db2.gz WEYYVANENJTTAU-TZMCWYRMSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576155943 949426937 /nfs/dbraw/zinc/42/69/37/949426937.db2.gz WEYYVANENJTTAU-TZMCWYRMSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576155941 949427154 /nfs/dbraw/zinc/42/71/54/949427154.db2.gz WEYYVANENJTTAU-OCCSQVGLSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576155941 949427160 /nfs/dbraw/zinc/42/71/60/949427160.db2.gz WEYYVANENJTTAU-OCCSQVGLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573802920 949429644 /nfs/dbraw/zinc/42/96/44/949429644.db2.gz MEPVNGPQYSJCMN-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573802920 949429662 /nfs/dbraw/zinc/42/96/62/949429662.db2.gz MEPVNGPQYSJCMN-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H]1[C@H](CO)CCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC001575867391 949433152 /nfs/dbraw/zinc/43/31/52/949433152.db2.gz JMZWSMBETVTGDF-OLZOCXBDSA-N -1 3 382.428 0.694 20 0 GCADHM C[C@H](CN(C)C(=O)C1CCC(O)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574705629 949434723 /nfs/dbraw/zinc/43/47/23/949434723.db2.gz JJQATYMHXYFQLW-XSRFYTQQSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)C1CCC(O)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574705629 949434739 /nfs/dbraw/zinc/43/47/39/949434739.db2.gz JJQATYMHXYFQLW-XSRFYTQQSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC(N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001574465410 949434904 /nfs/dbraw/zinc/43/49/04/949434904.db2.gz XRRBFAKYFCYHHI-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC(N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001574465410 949434929 /nfs/dbraw/zinc/43/49/29/949434929.db2.gz XRRBFAKYFCYHHI-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCNC1=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575264994 949439091 /nfs/dbraw/zinc/43/90/91/949439091.db2.gz RKRLJEAYVHNVAK-YGRLFVJLSA-N -1 3 387.419 0.078 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574465520 949439338 /nfs/dbraw/zinc/43/93/38/949439338.db2.gz ZTAWFVFNJXWJEW-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574465520 949439353 /nfs/dbraw/zinc/43/93/53/949439353.db2.gz ZTAWFVFNJXWJEW-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574947082 949442303 /nfs/dbraw/zinc/44/23/03/949442303.db2.gz ZCFVOKHAJBGOSC-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574947082 949442321 /nfs/dbraw/zinc/44/23/21/949442321.db2.gz ZCFVOKHAJBGOSC-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575265233 949443363 /nfs/dbraw/zinc/44/33/63/949443363.db2.gz SMGCPROSRHDQKJ-RISCZKNCSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575265233 949443370 /nfs/dbraw/zinc/44/33/70/949443370.db2.gz SMGCPROSRHDQKJ-RISCZKNCSA-N -1 3 389.460 0.855 20 0 GCADHM CC(C)CC(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574116950 949443400 /nfs/dbraw/zinc/44/34/00/949443400.db2.gz HWLFDKJJMQWPGL-KRWDZBQOSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574116950 949443413 /nfs/dbraw/zinc/44/34/13/949443413.db2.gz HWLFDKJJMQWPGL-KRWDZBQOSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575535362 949445525 /nfs/dbraw/zinc/44/55/25/949445525.db2.gz VVMUQCPVGIRWFC-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575535362 949445533 /nfs/dbraw/zinc/44/55/33/949445533.db2.gz VVMUQCPVGIRWFC-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574466010 949446250 /nfs/dbraw/zinc/44/62/50/949446250.db2.gz ZLGDVOFINDSIJP-GFCCVEGCSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574466010 949446267 /nfs/dbraw/zinc/44/62/67/949446267.db2.gz ZLGDVOFINDSIJP-GFCCVEGCSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001574466020 949446352 /nfs/dbraw/zinc/44/63/52/949446352.db2.gz ZYZLSFQRCKUKFA-ZBFHGGJFSA-N -1 3 382.428 0.624 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001574466020 949446363 /nfs/dbraw/zinc/44/63/63/949446363.db2.gz ZYZLSFQRCKUKFA-ZBFHGGJFSA-N -1 3 382.428 0.624 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574947402 949446600 /nfs/dbraw/zinc/44/66/00/949446600.db2.gz AIKVGQRKCPVFBK-JTQLQIEISA-N -1 3 383.416 0.203 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574947402 949446620 /nfs/dbraw/zinc/44/66/20/949446620.db2.gz AIKVGQRKCPVFBK-JTQLQIEISA-N -1 3 383.416 0.203 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574706194 949451163 /nfs/dbraw/zinc/45/11/63/949451163.db2.gz LKQCEAKWABAGLP-MNOVXSKESA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574947585 949454658 /nfs/dbraw/zinc/45/46/58/949454658.db2.gz CXSCWTXLNKXUGJ-NSHDSACASA-N -1 3 382.432 0.595 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574947585 949454667 /nfs/dbraw/zinc/45/46/67/949454667.db2.gz CXSCWTXLNKXUGJ-NSHDSACASA-N -1 3 382.432 0.595 20 0 GCADHM C[C@@]1(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)cn3)CC2)CCC(=O)NC1 ZINC001575535778 949455079 /nfs/dbraw/zinc/45/50/79/949455079.db2.gz BCDQDBNCGNSCDH-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)cn3)CC2)CCC(=O)NC1 ZINC001575535778 949455090 /nfs/dbraw/zinc/45/50/90/949455090.db2.gz BCDQDBNCGNSCDH-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574468102 949457127 /nfs/dbraw/zinc/45/71/27/949457127.db2.gz JNEHGKWLRJHVLB-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574468102 949457134 /nfs/dbraw/zinc/45/71/34/949457134.db2.gz JNEHGKWLRJHVLB-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573803990 949460531 /nfs/dbraw/zinc/46/05/31/949460531.db2.gz ZHSYDWNMKBVHKK-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573803990 949460548 /nfs/dbraw/zinc/46/05/48/949460548.db2.gz ZHSYDWNMKBVHKK-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)O1 ZINC001573804085 949462334 /nfs/dbraw/zinc/46/23/34/949462334.db2.gz SILWTEHNQDMMEB-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)O1 ZINC001573804085 949462347 /nfs/dbraw/zinc/46/23/47/949462347.db2.gz SILWTEHNQDMMEB-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574707221 949465065 /nfs/dbraw/zinc/46/50/65/949465065.db2.gz ODKMKXQLRFHOHO-AAEUAGOBSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574707221 949465072 /nfs/dbraw/zinc/46/50/72/949465072.db2.gz ODKMKXQLRFHOHO-AAEUAGOBSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@](CNC(=O)Cn1cccn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574948608 949469546 /nfs/dbraw/zinc/46/95/46/949469546.db2.gz LSRGXTREAXOESS-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@](CNC(=O)Cn1cccn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574948608 949469556 /nfs/dbraw/zinc/46/95/56/949469556.db2.gz LSRGXTREAXOESS-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573804502 949470015 /nfs/dbraw/zinc/47/00/15/949470015.db2.gz WNYOEJSDSQQQEK-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573804502 949470022 /nfs/dbraw/zinc/47/00/22/949470022.db2.gz WNYOEJSDSQQQEK-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573804570 949471159 /nfs/dbraw/zinc/47/11/59/949471159.db2.gz XGMBWMQXPVDIAV-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573804570 949471182 /nfs/dbraw/zinc/47/11/82/949471182.db2.gz XGMBWMQXPVDIAV-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573804558 949472427 /nfs/dbraw/zinc/47/24/27/949472427.db2.gz XGMBWMQXPVDIAV-AULYBMBSSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573804558 949472439 /nfs/dbraw/zinc/47/24/39/949472439.db2.gz XGMBWMQXPVDIAV-AULYBMBSSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573804480 949473188 /nfs/dbraw/zinc/47/31/88/949473188.db2.gz VYBJEKOBBBSWQR-LBPRGKRZSA-N -1 3 386.460 0.367 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573804480 949473201 /nfs/dbraw/zinc/47/32/01/949473201.db2.gz VYBJEKOBBBSWQR-LBPRGKRZSA-N -1 3 386.460 0.367 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574707812 949475059 /nfs/dbraw/zinc/47/50/59/949475059.db2.gz QPDISFHIDMZZCW-QWRGUYRKSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574707812 949475067 /nfs/dbraw/zinc/47/50/67/949475067.db2.gz QPDISFHIDMZZCW-QWRGUYRKSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576157238 949478337 /nfs/dbraw/zinc/47/83/37/949478337.db2.gz ZKNXMINHQDGARU-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576157238 949478351 /nfs/dbraw/zinc/47/83/51/949478351.db2.gz ZKNXMINHQDGARU-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574707997 949481112 /nfs/dbraw/zinc/48/11/12/949481112.db2.gz RQUMHPCRIDTRRL-JQWIXIFHSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574707997 949481119 /nfs/dbraw/zinc/48/11/19/949481119.db2.gz RQUMHPCRIDTRRL-JQWIXIFHSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574949081 949481425 /nfs/dbraw/zinc/48/14/25/949481425.db2.gz QLHITSXUBUIHKV-JTQLQIEISA-N -1 3 375.824 0.976 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574949081 949481432 /nfs/dbraw/zinc/48/14/32/949481432.db2.gz QLHITSXUBUIHKV-JTQLQIEISA-N -1 3 375.824 0.976 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001574469483 949481508 /nfs/dbraw/zinc/48/15/08/949481508.db2.gz FJZUJDRXBGGIAI-OCCSQVGLSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001574469483 949481517 /nfs/dbraw/zinc/48/15/17/949481517.db2.gz FJZUJDRXBGGIAI-OCCSQVGLSA-N -1 3 383.416 0.019 20 0 GCADHM CC1(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001575537021 949484051 /nfs/dbraw/zinc/48/40/51/949484051.db2.gz QGHCOJBGYUHHSL-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001575537021 949484069 /nfs/dbraw/zinc/48/40/69/949484069.db2.gz QGHCOJBGYUHHSL-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574118317 949488764 /nfs/dbraw/zinc/48/87/64/949488764.db2.gz DUBVAQLRFGGPDM-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574118317 949488779 /nfs/dbraw/zinc/48/87/79/949488779.db2.gz DUBVAQLRFGGPDM-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)n1ncnc1CN(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574470136 949489138 /nfs/dbraw/zinc/48/91/38/949489138.db2.gz MPHRCANIFWRXAR-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574470136 949489155 /nfs/dbraw/zinc/48/91/55/949489155.db2.gz MPHRCANIFWRXAR-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)O1 ZINC001574118496 949491451 /nfs/dbraw/zinc/49/14/51/949491451.db2.gz GPLFFASLZIGEPN-ZDUSSCGKSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(=O)NC[C@@H]1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)O1 ZINC001574118496 949491466 /nfs/dbraw/zinc/49/14/66/949491466.db2.gz GPLFFASLZIGEPN-ZDUSSCGKSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576157719 949491734 /nfs/dbraw/zinc/49/17/34/949491734.db2.gz RSMYJIHHDGUZKG-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576157719 949491743 /nfs/dbraw/zinc/49/17/43/949491743.db2.gz RSMYJIHHDGUZKG-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574118377 949492214 /nfs/dbraw/zinc/49/22/14/949492214.db2.gz FOJFUTYMKJSMAG-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574118377 949492229 /nfs/dbraw/zinc/49/22/29/949492229.db2.gz FOJFUTYMKJSMAG-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001574118931 949492258 /nfs/dbraw/zinc/49/22/58/949492258.db2.gz GSQQYRHTZVTEFO-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001574118931 949492278 /nfs/dbraw/zinc/49/22/78/949492278.db2.gz GSQQYRHTZVTEFO-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574470166 949494005 /nfs/dbraw/zinc/49/40/05/949494005.db2.gz OAWBLZNOJXVZBE-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574470166 949494017 /nfs/dbraw/zinc/49/40/17/949494017.db2.gz OAWBLZNOJXVZBE-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC(F)(F)C1 ZINC001575537716 949497343 /nfs/dbraw/zinc/49/73/43/949497343.db2.gz WUJPDGOGOSFIRB-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC(F)(F)C1 ZINC001575537716 949497357 /nfs/dbraw/zinc/49/73/57/949497357.db2.gz WUJPDGOGOSFIRB-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)n1ncnc1CN1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574470434 949498219 /nfs/dbraw/zinc/49/82/19/949498219.db2.gz QJFDYAXMFUARQW-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574470434 949498235 /nfs/dbraw/zinc/49/82/35/949498235.db2.gz QJFDYAXMFUARQW-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM C[C@]1(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)CCC(=O)NC1 ZINC001575537539 949498680 /nfs/dbraw/zinc/49/86/80/949498680.db2.gz WQMAJIOQRJFZLM-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)CCC(=O)NC1 ZINC001575537539 949498687 /nfs/dbraw/zinc/49/86/87/949498687.db2.gz WQMAJIOQRJFZLM-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575267258 949498976 /nfs/dbraw/zinc/49/89/76/949498976.db2.gz HQHOROYBKYBDIM-NWDGAFQWSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575267258 949498990 /nfs/dbraw/zinc/49/89/90/949498990.db2.gz HQHOROYBKYBDIM-NWDGAFQWSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575537791 949501363 /nfs/dbraw/zinc/50/13/63/949501363.db2.gz AYOFDDUZQMAYEM-SGTLLEGYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575537791 949501375 /nfs/dbraw/zinc/50/13/75/949501375.db2.gz AYOFDDUZQMAYEM-SGTLLEGYSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574949714 949502921 /nfs/dbraw/zinc/50/29/21/949502921.db2.gz BEFHYRBEURXIPY-LLVKDONJSA-N -1 3 385.436 0.236 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574949714 949502936 /nfs/dbraw/zinc/50/29/36/949502936.db2.gz BEFHYRBEURXIPY-LLVKDONJSA-N -1 3 385.436 0.236 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573807938 949503037 /nfs/dbraw/zinc/50/30/37/949503037.db2.gz ANPSREYFVLLISN-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573807938 949503058 /nfs/dbraw/zinc/50/30/58/949503058.db2.gz ANPSREYFVLLISN-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCCS1(=O)=O ZINC001575537774 949503277 /nfs/dbraw/zinc/50/32/77/949503277.db2.gz XRTMIJLRLALRFH-LRDDRELGSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCCS1(=O)=O ZINC001575537774 949503294 /nfs/dbraw/zinc/50/32/94/949503294.db2.gz XRTMIJLRLALRFH-LRDDRELGSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574708865 949504354 /nfs/dbraw/zinc/50/43/54/949504354.db2.gz XWVZLDOLJWMESY-VXGBXAGGSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574708865 949504381 /nfs/dbraw/zinc/50/43/81/949504381.db2.gz XWVZLDOLJWMESY-VXGBXAGGSA-N -1 3 387.448 0.311 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1cccn1 ZINC001573808129 949506813 /nfs/dbraw/zinc/50/68/13/949506813.db2.gz CQGRTFDWYRDACT-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1cccn1 ZINC001573808129 949506838 /nfs/dbraw/zinc/50/68/38/949506838.db2.gz CQGRTFDWYRDACT-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001573808151 949507121 /nfs/dbraw/zinc/50/71/21/949507121.db2.gz DAYGSULLGBOKHO-QWHCGFSZSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001573808151 949507140 /nfs/dbraw/zinc/50/71/40/949507140.db2.gz DAYGSULLGBOKHO-QWHCGFSZSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574949731 949507754 /nfs/dbraw/zinc/50/77/54/949507754.db2.gz BRYGLTDTIKJTPY-SNVBAGLBSA-N -1 3 388.411 0.733 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574949731 949507771 /nfs/dbraw/zinc/50/77/71/949507771.db2.gz BRYGLTDTIKJTPY-SNVBAGLBSA-N -1 3 388.411 0.733 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574120756 949508942 /nfs/dbraw/zinc/50/89/42/949508942.db2.gz MHBDUEMDSCUATQ-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574120756 949508957 /nfs/dbraw/zinc/50/89/57/949508957.db2.gz MHBDUEMDSCUATQ-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575267997 949512154 /nfs/dbraw/zinc/51/21/54/949512154.db2.gz LFEYHTRVVALLLH-NXEZZACHSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575267997 949512168 /nfs/dbraw/zinc/51/21/68/949512168.db2.gz LFEYHTRVVALLLH-NXEZZACHSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575267995 949512836 /nfs/dbraw/zinc/51/28/36/949512836.db2.gz LEXUMXAKPPPCJO-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575267995 949512850 /nfs/dbraw/zinc/51/28/50/949512850.db2.gz LEXUMXAKPPPCJO-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574120913 949512912 /nfs/dbraw/zinc/51/29/12/949512912.db2.gz OPWNXAREVGMYLV-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574120913 949512933 /nfs/dbraw/zinc/51/29/33/949512933.db2.gz OPWNXAREVGMYLV-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575268000 949513351 /nfs/dbraw/zinc/51/33/51/949513351.db2.gz LFEYHTRVVALLLH-ZJUUUORDSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001575268000 949513370 /nfs/dbraw/zinc/51/33/70/949513370.db2.gz LFEYHTRVVALLLH-ZJUUUORDSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575267984 949514050 /nfs/dbraw/zinc/51/40/50/949514050.db2.gz KYUDUMZOCUDNGJ-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575267984 949514061 /nfs/dbraw/zinc/51/40/61/949514061.db2.gz KYUDUMZOCUDNGJ-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574470752 949514615 /nfs/dbraw/zinc/51/46/15/949514615.db2.gz GCKIRQCBKWPWLK-HIFPTAJRSA-N -1 3 382.432 0.906 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574470752 949514633 /nfs/dbraw/zinc/51/46/33/949514633.db2.gz GCKIRQCBKWPWLK-HIFPTAJRSA-N -1 3 382.432 0.906 20 0 GCADHM CC1(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575538369 949518528 /nfs/dbraw/zinc/51/85/28/949518528.db2.gz GLGJSDYDEVDWMN-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808484 949518715 /nfs/dbraw/zinc/51/87/15/949518715.db2.gz GLVZMRJRFSQIAB-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC1(C(=O)N2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575538369 949518551 /nfs/dbraw/zinc/51/85/51/949518551.db2.gz GLGJSDYDEVDWMN-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808484 949518732 /nfs/dbraw/zinc/51/87/32/949518732.db2.gz GLVZMRJRFSQIAB-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573808634 949519434 /nfs/dbraw/zinc/51/94/34/949519434.db2.gz HJARCGBPSFKYSS-SRBZOADZSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573808634 949519441 /nfs/dbraw/zinc/51/94/41/949519441.db2.gz HJARCGBPSFKYSS-SRBZOADZSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949941 949521411 /nfs/dbraw/zinc/52/14/11/949521411.db2.gz HUXFFMFZXVOQOA-SKDRFNHKSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949941 949521430 /nfs/dbraw/zinc/52/14/30/949521430.db2.gz HUXFFMFZXVOQOA-SKDRFNHKSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)NC(N)=O ZINC001574471081 949521530 /nfs/dbraw/zinc/52/15/30/949521530.db2.gz IVDVXKTZVDWTCZ-GXFFZTMASA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)NC(N)=O ZINC001574471081 949521553 /nfs/dbraw/zinc/52/15/53/949521553.db2.gz IVDVXKTZVDWTCZ-GXFFZTMASA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)NC(N)=O ZINC001574471082 949521979 /nfs/dbraw/zinc/52/19/79/949521979.db2.gz IVDVXKTZVDWTCZ-MFKMUULPSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)NC(N)=O ZINC001574471082 949521989 /nfs/dbraw/zinc/52/19/89/949521989.db2.gz IVDVXKTZVDWTCZ-MFKMUULPSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001574470901 949522182 /nfs/dbraw/zinc/52/21/82/949522182.db2.gz XMONPLSFFZVFBQ-VIKVFOODSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001574470901 949522197 /nfs/dbraw/zinc/52/21/97/949522197.db2.gz XMONPLSFFZVFBQ-VIKVFOODSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC001574122009 949522380 /nfs/dbraw/zinc/52/23/80/949522380.db2.gz SUINMWZFCNBAMD-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC001574122009 949522404 /nfs/dbraw/zinc/52/24/04/949522404.db2.gz SUINMWZFCNBAMD-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001573808702 949522794 /nfs/dbraw/zinc/52/27/94/949522794.db2.gz INYPPMYDWPEEOH-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001573808702 949522809 /nfs/dbraw/zinc/52/28/09/949522809.db2.gz INYPPMYDWPEEOH-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575871865 949522751 /nfs/dbraw/zinc/52/27/51/949522751.db2.gz CRPWPUWITIGCMF-WCQYABFASA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575871865 949522767 /nfs/dbraw/zinc/52/27/67/949522767.db2.gz CRPWPUWITIGCMF-WCQYABFASA-N -1 3 387.444 0.609 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1c[nH]cn1 ZINC001573808654 949523852 /nfs/dbraw/zinc/52/38/52/949523852.db2.gz HTIQMIDHSBFJRM-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574710972 949524044 /nfs/dbraw/zinc/52/40/44/949524044.db2.gz CTEPIUOBKLOXTD-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574710972 949524060 /nfs/dbraw/zinc/52/40/60/949524060.db2.gz CTEPIUOBKLOXTD-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871914 949524753 /nfs/dbraw/zinc/52/47/53/949524753.db2.gz CXUWCDLIUUOAGF-CMPLNLGQSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871914 949524768 /nfs/dbraw/zinc/52/47/68/949524768.db2.gz CXUWCDLIUUOAGF-CMPLNLGQSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575538659 949527728 /nfs/dbraw/zinc/52/77/28/949527728.db2.gz IHIGALUGQZVHIK-KZULUSFZSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575538659 949527743 /nfs/dbraw/zinc/52/77/43/949527743.db2.gz IHIGALUGQZVHIK-KZULUSFZSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575538707 949529157 /nfs/dbraw/zinc/52/91/57/949529157.db2.gz JBPFZFQAQNYDLT-ACJLOTCBSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575538707 949529171 /nfs/dbraw/zinc/52/91/71/949529171.db2.gz JBPFZFQAQNYDLT-ACJLOTCBSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccnn1 ZINC001573809056 949530590 /nfs/dbraw/zinc/53/05/90/949530590.db2.gz LZNFRYSXTHSAHY-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccnn1 ZINC001573809056 949530602 /nfs/dbraw/zinc/53/06/02/949530602.db2.gz LZNFRYSXTHSAHY-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809201 949531449 /nfs/dbraw/zinc/53/14/49/949531449.db2.gz NALXXCKUJACSQM-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809201 949531459 /nfs/dbraw/zinc/53/14/59/949531459.db2.gz NALXXCKUJACSQM-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872093 949533172 /nfs/dbraw/zinc/53/31/72/949533172.db2.gz GGIZRIDSBFNJDK-CMPLNLGQSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872093 949533188 /nfs/dbraw/zinc/53/31/88/949533188.db2.gz GGIZRIDSBFNJDK-CMPLNLGQSA-N -1 3 375.433 0.465 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C1=CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809224 949533730 /nfs/dbraw/zinc/53/37/30/949533730.db2.gz NJMOOWJBGBHGSV-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C1=CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809224 949533751 /nfs/dbraw/zinc/53/37/51/949533751.db2.gz NJMOOWJBGBHGSV-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576163443 949534449 /nfs/dbraw/zinc/53/44/49/949534449.db2.gz BFUUGMZYRJNTGQ-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576163443 949534459 /nfs/dbraw/zinc/53/44/59/949534459.db2.gz BFUUGMZYRJNTGQ-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574471867 949536513 /nfs/dbraw/zinc/53/65/13/949536513.db2.gz OAPCTLXXQOZTHF-BXUZGUMPSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574471867 949536525 /nfs/dbraw/zinc/53/65/25/949536525.db2.gz OAPCTLXXQOZTHF-BXUZGUMPSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001573809241 949538033 /nfs/dbraw/zinc/53/80/33/949538033.db2.gz NRTURZMYVNLZSF-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001573809241 949538047 /nfs/dbraw/zinc/53/80/47/949538047.db2.gz NRTURZMYVNLZSF-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575872165 949538624 /nfs/dbraw/zinc/53/86/24/949538624.db2.gz GZLXHRQDGMUXLV-PSASIEDQSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575872165 949538639 /nfs/dbraw/zinc/53/86/39/949538639.db2.gz GZLXHRQDGMUXLV-PSASIEDQSA-N -1 3 379.371 0.959 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574471873 949539136 /nfs/dbraw/zinc/53/91/36/949539136.db2.gz ODZZGROKEVAVJM-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574471873 949539149 /nfs/dbraw/zinc/53/91/49/949539149.db2.gz ODZZGROKEVAVJM-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001574950470 949539884 /nfs/dbraw/zinc/53/98/84/949539884.db2.gz PFRPSOGEOQKFCH-OCCSQVGLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001574950470 949539901 /nfs/dbraw/zinc/53/99/01/949539901.db2.gz PFRPSOGEOQKFCH-OCCSQVGLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001573809450 949540926 /nfs/dbraw/zinc/54/09/26/949540926.db2.gz PWXWHEZBFGGPHS-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001573809450 949540938 /nfs/dbraw/zinc/54/09/38/949540938.db2.gz PWXWHEZBFGGPHS-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCOC1 ZINC001573809417 949540975 /nfs/dbraw/zinc/54/09/75/949540975.db2.gz PNINVQZSVSPDDA-GWCFXTLKSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCOC1 ZINC001573809417 949540987 /nfs/dbraw/zinc/54/09/87/949540987.db2.gz PNINVQZSVSPDDA-GWCFXTLKSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ccon1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809426 949542070 /nfs/dbraw/zinc/54/20/70/949542070.db2.gz PPAOVGSIUQWLFV-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1ccon1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809426 949542086 /nfs/dbraw/zinc/54/20/86/949542086.db2.gz PPAOVGSIUQWLFV-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576163617 949542133 /nfs/dbraw/zinc/54/21/33/949542133.db2.gz CJNHQXMTABRTLA-WFASDCNBSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576163617 949542148 /nfs/dbraw/zinc/54/21/48/949542148.db2.gz CJNHQXMTABRTLA-WFASDCNBSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575539148 949542347 /nfs/dbraw/zinc/54/23/47/949542347.db2.gz NEUGQHDDWUHPJR-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575539148 949542364 /nfs/dbraw/zinc/54/23/64/949542364.db2.gz NEUGQHDDWUHPJR-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](N(CCO)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001575539540 949548293 /nfs/dbraw/zinc/54/82/93/949548293.db2.gz QIZDTCPFDNAXOF-CYBMUJFWSA-N -1 3 387.444 0.420 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](N(CCO)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001575539540 949548312 /nfs/dbraw/zinc/54/83/12/949548312.db2.gz QIZDTCPFDNAXOF-CYBMUJFWSA-N -1 3 387.444 0.420 20 0 GCADHM C[C@@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575269373 949548155 /nfs/dbraw/zinc/54/81/55/949548155.db2.gz UKMXQJDFDWIIRG-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575269373 949548179 /nfs/dbraw/zinc/54/81/79/949548179.db2.gz UKMXQJDFDWIIRG-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576164240 949550503 /nfs/dbraw/zinc/55/05/03/949550503.db2.gz FSFMGJQEEZHNDE-SMDDNHRTSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576164240 949550515 /nfs/dbraw/zinc/55/05/15/949550515.db2.gz FSFMGJQEEZHNDE-SMDDNHRTSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnccn1 ZINC001573809739 949550789 /nfs/dbraw/zinc/55/07/89/949550789.db2.gz UYAMJHOPOMRVPW-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnccn1 ZINC001573809739 949550800 /nfs/dbraw/zinc/55/08/00/949550800.db2.gz UYAMJHOPOMRVPW-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872572 949551352 /nfs/dbraw/zinc/55/13/52/949551352.db2.gz JVQLANSTNKNHGU-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872572 949551369 /nfs/dbraw/zinc/55/13/69/949551369.db2.gz JVQLANSTNKNHGU-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ncccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809737 949552340 /nfs/dbraw/zinc/55/23/40/949552340.db2.gz UVNMMETVKDXCFU-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ncccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809737 949552358 /nfs/dbraw/zinc/55/23/58/949552358.db2.gz UVNMMETVKDXCFU-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cccnn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809719 949552838 /nfs/dbraw/zinc/55/28/38/949552838.db2.gz UEZUCLIUBWWPEB-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cccnn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809719 949552858 /nfs/dbraw/zinc/55/28/58/949552858.db2.gz UEZUCLIUBWWPEB-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cncnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809755 949555185 /nfs/dbraw/zinc/55/51/85/949555185.db2.gz VBUCWYROURFRJE-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cncnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809755 949555190 /nfs/dbraw/zinc/55/51/90/949555190.db2.gz VBUCWYROURFRJE-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cncnc1 ZINC001573809954 949555238 /nfs/dbraw/zinc/55/52/38/949555238.db2.gz WVHOTBVRCXGDLF-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cncnc1 ZINC001573809954 949555248 /nfs/dbraw/zinc/55/52/48/949555248.db2.gz WVHOTBVRCXGDLF-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576164545 949556012 /nfs/dbraw/zinc/55/60/12/949556012.db2.gz HANPYMUNJKOOPO-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576164545 949556025 /nfs/dbraw/zinc/55/60/25/949556025.db2.gz HANPYMUNJKOOPO-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cncnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809754 949557924 /nfs/dbraw/zinc/55/79/24/949557924.db2.gz VBUCWYROURFRJE-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cncnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809754 949557937 /nfs/dbraw/zinc/55/79/37/949557937.db2.gz VBUCWYROURFRJE-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)n1ncnc1CNC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001574472708 949558179 /nfs/dbraw/zinc/55/81/79/949558179.db2.gz VTTFWOHWOLEPHF-UHFFFAOYSA-N -1 3 384.448 0.810 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ncccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573810053 949560288 /nfs/dbraw/zinc/56/02/88/949560288.db2.gz YFGSNERBMBXSKV-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ncccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573810053 949560299 /nfs/dbraw/zinc/56/02/99/949560299.db2.gz YFGSNERBMBXSKV-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573810033 949560425 /nfs/dbraw/zinc/56/04/25/949560425.db2.gz YAXXHSGVUQWBQW-GXFFZTMASA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573810033 949560437 /nfs/dbraw/zinc/56/04/37/949560437.db2.gz YAXXHSGVUQWBQW-GXFFZTMASA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574475486 949567913 /nfs/dbraw/zinc/56/79/13/949567913.db2.gz AWEFLZAZXPGRHF-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574475486 949567929 /nfs/dbraw/zinc/56/79/29/949567929.db2.gz AWEFLZAZXPGRHF-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001573810072 949568527 /nfs/dbraw/zinc/56/85/27/949568527.db2.gz YMOHXSRRFAPXTI-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001573810072 949568546 /nfs/dbraw/zinc/56/85/46/949568546.db2.gz YMOHXSRRFAPXTI-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccncn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573810162 949571493 /nfs/dbraw/zinc/57/14/93/949571493.db2.gz ZZYORWUCOANFKN-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccncn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573810162 949571516 /nfs/dbraw/zinc/57/15/16/949571516.db2.gz ZZYORWUCOANFKN-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575270265 949579634 /nfs/dbraw/zinc/57/96/34/949579634.db2.gz YZQWDCNNVLQCIO-NWDGAFQWSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575270265 949579655 /nfs/dbraw/zinc/57/96/55/949579655.db2.gz YZQWDCNNVLQCIO-NWDGAFQWSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712706 949583019 /nfs/dbraw/zinc/58/30/19/949583019.db2.gz TUGNPFNBNAZZMF-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCCOC1 ZINC001575544513 949584875 /nfs/dbraw/zinc/58/48/75/949584875.db2.gz DZSAQVUQGCHXBE-GOSISDBHSA-N -1 3 387.444 0.686 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCCOC1 ZINC001575544513 949584904 /nfs/dbraw/zinc/58/49/04/949584904.db2.gz DZSAQVUQGCHXBE-GOSISDBHSA-N -1 3 387.444 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573811009 949585332 /nfs/dbraw/zinc/58/53/32/949585332.db2.gz GQPLSRSTUHAGHN-CHWSQXEVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573811009 949585350 /nfs/dbraw/zinc/58/53/50/949585350.db2.gz GQPLSRSTUHAGHN-CHWSQXEVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574125249 949587804 /nfs/dbraw/zinc/58/78/04/949587804.db2.gz PBZGYPSZJHPOTN-KGLIPLIRSA-N -1 3 386.460 0.446 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574125249 949587825 /nfs/dbraw/zinc/58/78/25/949587825.db2.gz PBZGYPSZJHPOTN-KGLIPLIRSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575873697 949588606 /nfs/dbraw/zinc/58/86/06/949588606.db2.gz BVORUZQDOCPFCZ-MNOVXSKESA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COC(C)(C)C)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575873697 949588622 /nfs/dbraw/zinc/58/86/22/949588622.db2.gz BVORUZQDOCPFCZ-MNOVXSKESA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@]1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCOC1 ZINC001575545125 949591226 /nfs/dbraw/zinc/59/12/26/949591226.db2.gz IFNAHUJRRNBJOQ-RDTXWAMCSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@]1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCOC1 ZINC001575545125 949591241 /nfs/dbraw/zinc/59/12/41/949591241.db2.gz IFNAHUJRRNBJOQ-RDTXWAMCSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574476268 949591561 /nfs/dbraw/zinc/59/15/61/949591561.db2.gz FTKPUEIMFVBLOF-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574476268 949591576 /nfs/dbraw/zinc/59/15/76/949591576.db2.gz FTKPUEIMFVBLOF-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575873818 949592931 /nfs/dbraw/zinc/59/29/31/949592931.db2.gz QFOMNJGIPYDUDJ-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575873818 949592947 /nfs/dbraw/zinc/59/29/47/949592947.db2.gz QFOMNJGIPYDUDJ-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1COCCO1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574713123 949595226 /nfs/dbraw/zinc/59/52/26/949595226.db2.gz VZDXURNWVIGYSA-CABZTGNLSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1COCCO1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574713123 949595246 /nfs/dbraw/zinc/59/52/46/949595246.db2.gz VZDXURNWVIGYSA-CABZTGNLSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576167171 949598938 /nfs/dbraw/zinc/59/89/38/949598938.db2.gz PGLGQORFDIHTEF-STQMWFEESA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576167171 949598948 /nfs/dbraw/zinc/59/89/48/949598948.db2.gz PGLGQORFDIHTEF-STQMWFEESA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574957322 949603401 /nfs/dbraw/zinc/60/34/01/949603401.db2.gz UZNSIGDQAIPPQM-NVBFEUDRSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCO[C@H]1C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574957322 949603418 /nfs/dbraw/zinc/60/34/18/949603418.db2.gz UZNSIGDQAIPPQM-NVBFEUDRSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CC(=O)N(C)CCCN(C)c1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574476568 949607188 /nfs/dbraw/zinc/60/71/88/949607188.db2.gz ICEWVQXMOYRGPI-NSHDSACASA-N -1 3 392.439 0.737 20 0 GCADHM C[C@@H](CC(=O)N(C)CCCN(C)c1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574476568 949607197 /nfs/dbraw/zinc/60/71/97/949607197.db2.gz ICEWVQXMOYRGPI-NSHDSACASA-N -1 3 392.439 0.737 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574957352 949607313 /nfs/dbraw/zinc/60/73/13/949607313.db2.gz VUJBBNVJEGSOMH-SKDRFNHKSA-N -1 3 391.411 0.108 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574957352 949607325 /nfs/dbraw/zinc/60/73/25/949607325.db2.gz VUJBBNVJEGSOMH-SKDRFNHKSA-N -1 3 391.411 0.108 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575874302 949608689 /nfs/dbraw/zinc/60/86/89/949608689.db2.gz FUBPHWGWMOXNPV-RISCZKNCSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874302 949608701 /nfs/dbraw/zinc/60/87/01/949608701.db2.gz FUBPHWGWMOXNPV-RISCZKNCSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575874353 949609845 /nfs/dbraw/zinc/60/98/45/949609845.db2.gz GAOILVDFRANCIW-GXFFZTMASA-N -1 3 390.423 0.530 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575874353 949609861 /nfs/dbraw/zinc/60/98/61/949609861.db2.gz GAOILVDFRANCIW-GXFFZTMASA-N -1 3 390.423 0.530 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574957364 949610246 /nfs/dbraw/zinc/61/02/46/949610246.db2.gz WDNQCOVHJOUBHN-MHVRPGDESA-N -1 3 387.419 0.765 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574957364 949610258 /nfs/dbraw/zinc/61/02/58/949610258.db2.gz WDNQCOVHJOUBHN-MHVRPGDESA-N -1 3 387.419 0.765 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574127004 949611214 /nfs/dbraw/zinc/61/12/14/949611214.db2.gz DBFFLOREYSXXHZ-LBPRGKRZSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574127004 949611233 /nfs/dbraw/zinc/61/12/33/949611233.db2.gz DBFFLOREYSXXHZ-LBPRGKRZSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573811994 949612087 /nfs/dbraw/zinc/61/20/87/949612087.db2.gz OZHAQYHODHIYLU-STQMWFEESA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573811994 949612102 /nfs/dbraw/zinc/61/21/02/949612102.db2.gz OZHAQYHODHIYLU-STQMWFEESA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CS(C)(=O)=O ZINC001573812098 949612433 /nfs/dbraw/zinc/61/24/33/949612433.db2.gz QCROIISWHZCKKU-NSHDSACASA-N -1 3 381.462 0.249 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575546640 949612935 /nfs/dbraw/zinc/61/29/35/949612935.db2.gz ROYXWYRFZWPNEQ-SGTLLEGYSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575546640 949612942 /nfs/dbraw/zinc/61/29/42/949612942.db2.gz ROYXWYRFZWPNEQ-SGTLLEGYSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573811993 949613524 /nfs/dbraw/zinc/61/35/24/949613524.db2.gz OZHAQYHODHIYLU-QWHCGFSZSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573811993 949613534 /nfs/dbraw/zinc/61/35/34/949613534.db2.gz OZHAQYHODHIYLU-QWHCGFSZSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](NC(=O)CC[C@H]1CCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575271299 949614313 /nfs/dbraw/zinc/61/43/13/949614313.db2.gz JHVWMKWWXVUFCU-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)CC[C@H]1CCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575271299 949614321 /nfs/dbraw/zinc/61/43/21/949614321.db2.gz JHVWMKWWXVUFCU-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574713834 949615092 /nfs/dbraw/zinc/61/50/92/949615092.db2.gz YGDKDUMBTTWBCB-QWRGUYRKSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576167679 949616520 /nfs/dbraw/zinc/61/65/20/949616520.db2.gz DQHIKGPCOFVTSW-DGCLKSJQSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576167679 949616531 /nfs/dbraw/zinc/61/65/31/949616531.db2.gz DQHIKGPCOFVTSW-DGCLKSJQSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](NC(=O)CCCn1ccnc1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575271421 949619203 /nfs/dbraw/zinc/61/92/03/949619203.db2.gz KGFFCKGRCRMCPN-VXGBXAGGSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)CCCn1ccnc1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575271421 949619214 /nfs/dbraw/zinc/61/92/14/949619214.db2.gz KGFFCKGRCRMCPN-VXGBXAGGSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575271452 949619282 /nfs/dbraw/zinc/61/92/82/949619282.db2.gz KKLOWMOYRFJWRA-QWRGUYRKSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575271452 949619291 /nfs/dbraw/zinc/61/92/91/949619291.db2.gz KKLOWMOYRFJWRA-QWRGUYRKSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)n1ccnc1 ZINC001574476750 949619638 /nfs/dbraw/zinc/61/96/38/949619638.db2.gz JJYMQQUQSPDCNM-JSGCOSHPSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)n1ccnc1 ZINC001574476750 949619651 /nfs/dbraw/zinc/61/96/51/949619651.db2.gz JJYMQQUQSPDCNM-JSGCOSHPSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574713914 949620239 /nfs/dbraw/zinc/62/02/39/949620239.db2.gz ZLFZOFIABIOOOQ-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574713914 949620252 /nfs/dbraw/zinc/62/02/52/949620252.db2.gz ZLFZOFIABIOOOQ-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574476765 949620568 /nfs/dbraw/zinc/62/05/68/949620568.db2.gz JQTWCQGYMGYHLJ-LLVKDONJSA-N -1 3 389.464 0.605 20 0 GCADHM C[C@H](CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574476765 949620586 /nfs/dbraw/zinc/62/05/86/949620586.db2.gz JQTWCQGYMGYHLJ-LLVKDONJSA-N -1 3 389.464 0.605 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574476785 949621354 /nfs/dbraw/zinc/62/13/54/949621354.db2.gz KCQVORNPCBBECZ-BXUZGUMPSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574476785 949621369 /nfs/dbraw/zinc/62/13/69/949621369.db2.gz KCQVORNPCBBECZ-BXUZGUMPSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575875234 949628445 /nfs/dbraw/zinc/62/84/45/949628445.db2.gz HQDVUYPKHLYVNC-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575875234 949628459 /nfs/dbraw/zinc/62/84/59/949628459.db2.gz HQDVUYPKHLYVNC-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574714447 949629510 /nfs/dbraw/zinc/62/95/10/949629510.db2.gz DEDDVVOMRDEALD-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574714447 949629524 /nfs/dbraw/zinc/62/95/24/949629524.db2.gz DEDDVVOMRDEALD-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574476920 949629917 /nfs/dbraw/zinc/62/99/17/949629917.db2.gz LXWSQOCYMOKSCX-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574476920 949629930 /nfs/dbraw/zinc/62/99/30/949629930.db2.gz LXWSQOCYMOKSCX-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574129046 949630920 /nfs/dbraw/zinc/63/09/20/949630920.db2.gz QAIKMDRSODKCFY-LBPRGKRZSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574129046 949630930 /nfs/dbraw/zinc/63/09/30/949630930.db2.gz QAIKMDRSODKCFY-LBPRGKRZSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574129043 949632574 /nfs/dbraw/zinc/63/25/74/949632574.db2.gz QAIKMDRSODKCFY-GFCCVEGCSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574129043 949632583 /nfs/dbraw/zinc/63/25/83/949632583.db2.gz QAIKMDRSODKCFY-GFCCVEGCSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)CCc1c[nH]cn1 ZINC001573814163 949633450 /nfs/dbraw/zinc/63/34/50/949633450.db2.gz AWUVHINHOPDISO-GFCCVEGCSA-N -1 3 384.448 0.377 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1c[nH]cn1 ZINC001573814163 949633462 /nfs/dbraw/zinc/63/34/62/949633462.db2.gz AWUVHINHOPDISO-GFCCVEGCSA-N -1 3 384.448 0.377 20 0 GCADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575272076 949633993 /nfs/dbraw/zinc/63/39/93/949633993.db2.gz NGCOZJAKWJVCEW-NEPJUHHUSA-N -1 3 392.439 0.428 20 0 GCADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575272076 949634001 /nfs/dbraw/zinc/63/40/01/949634001.db2.gz NGCOZJAKWJVCEW-NEPJUHHUSA-N -1 3 392.439 0.428 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574477093 949637747 /nfs/dbraw/zinc/63/77/47/949637747.db2.gz JPHOONRKRGGNFS-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574477093 949637763 /nfs/dbraw/zinc/63/77/63/949637763.db2.gz JPHOONRKRGGNFS-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCC1 ZINC001575547736 949639416 /nfs/dbraw/zinc/63/94/16/949639416.db2.gz FZSUKOBRJBXJTB-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCC1 ZINC001575547736 949639425 /nfs/dbraw/zinc/63/94/25/949639425.db2.gz FZSUKOBRJBXJTB-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccncc1 ZINC001574477187 949643038 /nfs/dbraw/zinc/64/30/38/949643038.db2.gz LGTLCVUXAVNIHX-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccncc1 ZINC001574477187 949643056 /nfs/dbraw/zinc/64/30/56/949643056.db2.gz LGTLCVUXAVNIHX-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCn1cncn1 ZINC001573814517 949644085 /nfs/dbraw/zinc/64/40/85/949644085.db2.gz DHJNCCGTVLZCPM-AWEZNQCLSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CCn1cncn1 ZINC001573814517 949644092 /nfs/dbraw/zinc/64/40/92/949644092.db2.gz DHJNCCGTVLZCPM-AWEZNQCLSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccncc1 ZINC001574477188 949644406 /nfs/dbraw/zinc/64/44/06/949644406.db2.gz LGTLCVUXAVNIHX-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccncc1 ZINC001574477188 949644413 /nfs/dbraw/zinc/64/44/13/949644413.db2.gz LGTLCVUXAVNIHX-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574129727 949644744 /nfs/dbraw/zinc/64/47/44/949644744.db2.gz WGBRYNLDFDPDEJ-ZIAGYGMSSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574129727 949644754 /nfs/dbraw/zinc/64/47/54/949644754.db2.gz WGBRYNLDFDPDEJ-ZIAGYGMSSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](NC(=O)CC[C@@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575272620 949645277 /nfs/dbraw/zinc/64/52/77/949645277.db2.gz RGIVNRVRMIRXFU-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)CC[C@@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575272620 949645287 /nfs/dbraw/zinc/64/52/87/949645287.db2.gz RGIVNRVRMIRXFU-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@]1(C(=O)N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)CCOC1 ZINC001575547922 949646728 /nfs/dbraw/zinc/64/67/28/949646728.db2.gz KGDGSYMDAQTNGW-INIZCTEOSA-N -1 3 377.836 0.990 20 0 GCADHM C[C@]1(C(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)CCOC1 ZINC001575547922 949646742 /nfs/dbraw/zinc/64/67/42/949646742.db2.gz KGDGSYMDAQTNGW-INIZCTEOSA-N -1 3 377.836 0.990 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715216 949648656 /nfs/dbraw/zinc/64/86/56/949648656.db2.gz HZBFXMNPAYYEMC-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715216 949648673 /nfs/dbraw/zinc/64/86/73/949648673.db2.gz HZBFXMNPAYYEMC-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001574131177 949648793 /nfs/dbraw/zinc/64/87/93/949648793.db2.gz AJANDKXAKNWDSO-KGLIPLIRSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001574131177 949648802 /nfs/dbraw/zinc/64/88/02/949648802.db2.gz AJANDKXAKNWDSO-KGLIPLIRSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCCn1ccnc1 ZINC001575272727 949649692 /nfs/dbraw/zinc/64/96/92/949649692.db2.gz SEVSHIQUTAJPLV-NWDGAFQWSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCCn1ccnc1 ZINC001575272727 949649701 /nfs/dbraw/zinc/64/97/01/949649701.db2.gz SEVSHIQUTAJPLV-NWDGAFQWSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)CCCn1ccnc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575272729 949650640 /nfs/dbraw/zinc/65/06/40/949650640.db2.gz SEVSHIQUTAJPLV-VXGBXAGGSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)CCCn1ccnc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575272729 949650650 /nfs/dbraw/zinc/65/06/50/949650650.db2.gz SEVSHIQUTAJPLV-VXGBXAGGSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574958057 949651304 /nfs/dbraw/zinc/65/13/04/949651304.db2.gz FAQVAGWDIYMWCZ-FPMFFAJLSA-N -1 3 386.460 0.884 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574958057 949651317 /nfs/dbraw/zinc/65/13/17/949651317.db2.gz FAQVAGWDIYMWCZ-FPMFFAJLSA-N -1 3 386.460 0.884 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001574477463 949654836 /nfs/dbraw/zinc/65/48/36/949654836.db2.gz OGKZASZQMBCHGH-FZMZJTMJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001574477463 949654851 /nfs/dbraw/zinc/65/48/51/949654851.db2.gz OGKZASZQMBCHGH-FZMZJTMJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575877113 949656073 /nfs/dbraw/zinc/65/60/73/949656073.db2.gz KWAWJVILUAEQFD-DGCLKSJQSA-N -1 3 382.432 0.486 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575877113 949656084 /nfs/dbraw/zinc/65/60/84/949656084.db2.gz KWAWJVILUAEQFD-DGCLKSJQSA-N -1 3 382.432 0.486 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574131378 949657639 /nfs/dbraw/zinc/65/76/39/949657639.db2.gz DJOGEICRZZMDSG-LLVKDONJSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574131378 949657656 /nfs/dbraw/zinc/65/76/56/949657656.db2.gz DJOGEICRZZMDSG-LLVKDONJSA-N -1 3 375.433 0.180 20 0 GCADHM CC1(C(=O)N2CCN([C@@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C3)CC2)CC1 ZINC001575548079 949657788 /nfs/dbraw/zinc/65/77/88/949657788.db2.gz QNRRJZYCMNRJCK-CYBMUJFWSA-N -1 3 383.460 0.180 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)c1cnon1 ZINC001576169146 949666317 /nfs/dbraw/zinc/66/63/17/949666317.db2.gz FPDWOMSVSBAZQU-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1cnon1 ZINC001576169146 949666332 /nfs/dbraw/zinc/66/63/32/949666332.db2.gz FPDWOMSVSBAZQU-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574958348 949667570 /nfs/dbraw/zinc/66/75/70/949667570.db2.gz JBPOUAHQRLJOIW-MVWJERBFSA-N -1 3 385.407 0.855 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574958348 949667579 /nfs/dbraw/zinc/66/75/79/949667579.db2.gz JBPOUAHQRLJOIW-MVWJERBFSA-N -1 3 385.407 0.855 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)c1cnon1 ZINC001576169138 949668194 /nfs/dbraw/zinc/66/81/94/949668194.db2.gz FPDWOMSVSBAZQU-NOZJJQNGSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1cnon1 ZINC001576169138 949668220 /nfs/dbraw/zinc/66/82/20/949668220.db2.gz FPDWOMSVSBAZQU-NOZJJQNGSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CS(C)(=O)=O)CCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001575878146 949670493 /nfs/dbraw/zinc/67/04/93/949670493.db2.gz NMKXMAKAKWIJGJ-IUODEOHRSA-N -1 3 392.485 0.380 20 0 GCADHM CC1(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)CCOCC1 ZINC001575548376 949672823 /nfs/dbraw/zinc/67/28/23/949672823.db2.gz YQSUQQMDGCHBQF-IUODEOHRSA-N -1 3 399.455 0.684 20 0 GCADHM CC1(C(=O)N2CC[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)CCOCC1 ZINC001575548376 949672836 /nfs/dbraw/zinc/67/28/36/949672836.db2.gz YQSUQQMDGCHBQF-IUODEOHRSA-N -1 3 399.455 0.684 20 0 GCADHM C[C@@]1(C(=O)N2CCO[C@@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575548375 949673079 /nfs/dbraw/zinc/67/30/79/949673079.db2.gz YQJZFVBPUMBOEA-YVEFUNNKSA-N -1 3 391.407 0.467 20 0 GCADHM C[C@@]1(C(=O)N2CCO[C@@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575548375 949673094 /nfs/dbraw/zinc/67/30/94/949673094.db2.gz YQJZFVBPUMBOEA-YVEFUNNKSA-N -1 3 391.407 0.467 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CCN1C(=O)CCC1=O ZINC001575273780 949673719 /nfs/dbraw/zinc/67/37/19/949673719.db2.gz YALAFUPPUYHWLL-MNOVXSKESA-N -1 3 386.416 0.106 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CCN1C(=O)CCC1=O ZINC001575273780 949673734 /nfs/dbraw/zinc/67/37/34/949673734.db2.gz YALAFUPPUYHWLL-MNOVXSKESA-N -1 3 386.416 0.106 20 0 GCADHM C[C@H](NC(=O)CC[C@H]1CCCO1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575273765 949674879 /nfs/dbraw/zinc/67/48/79/949674879.db2.gz XYHULXKOPNMEFK-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC[C@H]1CCCO1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575273765 949674897 /nfs/dbraw/zinc/67/48/97/949674897.db2.gz XYHULXKOPNMEFK-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574477859 949678013 /nfs/dbraw/zinc/67/80/13/949678013.db2.gz VLMLZABHMGMTJH-STQMWFEESA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574477859 949678024 /nfs/dbraw/zinc/67/80/24/949678024.db2.gz VLMLZABHMGMTJH-STQMWFEESA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575274134 949679887 /nfs/dbraw/zinc/67/98/87/949679887.db2.gz ZCSOATAKYNYTGY-GHMZBOCLSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575274134 949679895 /nfs/dbraw/zinc/67/98/95/949679895.db2.gz ZCSOATAKYNYTGY-GHMZBOCLSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccncc1 ZINC001574477895 949684714 /nfs/dbraw/zinc/68/47/14/949684714.db2.gz WAKBNHUSZPMQKG-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccncc1 ZINC001574477895 949684729 /nfs/dbraw/zinc/68/47/29/949684729.db2.gz WAKBNHUSZPMQKG-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@H](CN(C)C(=O)CCC1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716302 949686922 /nfs/dbraw/zinc/68/69/22/949686922.db2.gz IXYTXQXJHAXBQC-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)CCC1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716302 949686931 /nfs/dbraw/zinc/68/69/31/949686931.db2.gz IXYTXQXJHAXBQC-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574132297 949687027 /nfs/dbraw/zinc/68/70/27/949687027.db2.gz VCYQNQNCBGTHLV-JSGCOSHPSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574132297 949687040 /nfs/dbraw/zinc/68/70/40/949687040.db2.gz VCYQNQNCBGTHLV-JSGCOSHPSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575879435 949688867 /nfs/dbraw/zinc/68/88/67/949688867.db2.gz QWUAYVAIBGFQTJ-PWSUYJOCSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575879435 949688887 /nfs/dbraw/zinc/68/88/87/949688887.db2.gz QWUAYVAIBGFQTJ-PWSUYJOCSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574478043 949692248 /nfs/dbraw/zinc/69/22/48/949692248.db2.gz UOFYCNZDVTUSJS-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574478043 949692273 /nfs/dbraw/zinc/69/22/73/949692273.db2.gz UOFYCNZDVTUSJS-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574478041 949692551 /nfs/dbraw/zinc/69/25/51/949692551.db2.gz UOFYCNZDVTUSJS-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574478041 949692564 /nfs/dbraw/zinc/69/25/64/949692564.db2.gz UOFYCNZDVTUSJS-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573817146 949692740 /nfs/dbraw/zinc/69/27/40/949692740.db2.gz XOGJVEJONJLUSO-LBPRGKRZSA-N -1 3 383.416 0.602 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573817146 949692754 /nfs/dbraw/zinc/69/27/54/949692754.db2.gz XOGJVEJONJLUSO-LBPRGKRZSA-N -1 3 383.416 0.602 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]3C2)CCOC1 ZINC001575553746 949693041 /nfs/dbraw/zinc/69/30/41/949693041.db2.gz PHUJPQQAQUFAHH-JCGVRSQUSA-N -1 3 385.428 0.152 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]3C2)CCOC1 ZINC001575553746 949693054 /nfs/dbraw/zinc/69/30/54/949693054.db2.gz PHUJPQQAQUFAHH-JCGVRSQUSA-N -1 3 385.428 0.152 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574958820 949694215 /nfs/dbraw/zinc/69/42/15/949694215.db2.gz WWBDLONONHDQKK-QVSJOPQTSA-N -1 3 391.407 0.369 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574958820 949694232 /nfs/dbraw/zinc/69/42/32/949694232.db2.gz WWBDLONONHDQKK-QVSJOPQTSA-N -1 3 391.407 0.369 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576169845 949694933 /nfs/dbraw/zinc/69/49/33/949694933.db2.gz JWBCZHATXWAPMO-YPMHNXCESA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576169845 949694952 /nfs/dbraw/zinc/69/49/52/949694952.db2.gz JWBCZHATXWAPMO-YPMHNXCESA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573817106 949695184 /nfs/dbraw/zinc/69/51/84/949695184.db2.gz XDNCMHJQCPQJBI-ACJLOTCBSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573817106 949695202 /nfs/dbraw/zinc/69/52/02/949695202.db2.gz XDNCMHJQCPQJBI-ACJLOTCBSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575880188 949695822 /nfs/dbraw/zinc/69/58/22/949695822.db2.gz SBFRKKAFCIIKTR-UKRRQHHQSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575880188 949695832 /nfs/dbraw/zinc/69/58/32/949695832.db2.gz SBFRKKAFCIIKTR-UKRRQHHQSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H](NC(=O)CCc1ncccn1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575275078 949696872 /nfs/dbraw/zinc/69/68/72/949696872.db2.gz BZOKSTDYEZAVKG-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1ncccn1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575275078 949696890 /nfs/dbraw/zinc/69/68/90/949696890.db2.gz BZOKSTDYEZAVKG-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575555086 949698129 /nfs/dbraw/zinc/69/81/29/949698129.db2.gz VQAPCMIWZWFHQO-LXIYXOSZSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575555086 949698142 /nfs/dbraw/zinc/69/81/42/949698142.db2.gz VQAPCMIWZWFHQO-LXIYXOSZSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574478141 949700095 /nfs/dbraw/zinc/70/00/95/949700095.db2.gz VRVXAWKKWRYYLZ-GFCCVEGCSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574478141 949700110 /nfs/dbraw/zinc/70/01/10/949700110.db2.gz VRVXAWKKWRYYLZ-GFCCVEGCSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1ccnn1C ZINC001575275502 949700297 /nfs/dbraw/zinc/70/02/97/949700297.db2.gz DOXHKXKFYWSSSS-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1ccnn1C ZINC001575275502 949700305 /nfs/dbraw/zinc/70/03/05/949700305.db2.gz DOXHKXKFYWSSSS-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCCC1 ZINC001575555293 949700468 /nfs/dbraw/zinc/70/04/68/949700468.db2.gz YURULGKNUKVTRN-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCCC1 ZINC001575555293 949700486 /nfs/dbraw/zinc/70/04/86/949700486.db2.gz YURULGKNUKVTRN-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](NC(=O)CCc1cncn1C)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575275516 949701292 /nfs/dbraw/zinc/70/12/92/949701292.db2.gz DRTDRZIPXCSWCS-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1cncn1C ZINC001575275519 949701440 /nfs/dbraw/zinc/70/14/40/949701440.db2.gz DRTDRZIPXCSWCS-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575880282 949702481 /nfs/dbraw/zinc/70/24/81/949702481.db2.gz TZRYSHAMYSPVPB-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575880282 949702499 /nfs/dbraw/zinc/70/24/99/949702499.db2.gz TZRYSHAMYSPVPB-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)c1cnco1 ZINC001576170078 949703285 /nfs/dbraw/zinc/70/32/85/949703285.db2.gz JFVXCEWOHDQYCI-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1cnco1 ZINC001576170078 949703295 /nfs/dbraw/zinc/70/32/95/949703295.db2.gz JFVXCEWOHDQYCI-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574478209 949704837 /nfs/dbraw/zinc/70/48/37/949704837.db2.gz WINBIVQMTZYFHZ-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574478209 949704856 /nfs/dbraw/zinc/70/48/56/949704856.db2.gz WINBIVQMTZYFHZ-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM CC1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001575557178 949706237 /nfs/dbraw/zinc/70/62/37/949706237.db2.gz CMDYINLZROIKGU-GFCCVEGCSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001575557178 949706260 /nfs/dbraw/zinc/70/62/60/949706260.db2.gz CMDYINLZROIKGU-GFCCVEGCSA-N -1 3 375.433 0.372 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575557145 949707732 /nfs/dbraw/zinc/70/77/32/949707732.db2.gz BOFPKKVJDWJENZ-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCOC1 ZINC001575557145 949707748 /nfs/dbraw/zinc/70/77/48/949707748.db2.gz BOFPKKVJDWJENZ-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575557146 949708124 /nfs/dbraw/zinc/70/81/24/949708124.db2.gz BOFPKKVJDWJENZ-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCOC1 ZINC001575557146 949708139 /nfs/dbraw/zinc/70/81/39/949708139.db2.gz BOFPKKVJDWJENZ-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880979 949712476 /nfs/dbraw/zinc/71/24/76/949712476.db2.gz WMEDCTOJNPAVFE-RISCZKNCSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880979 949712489 /nfs/dbraw/zinc/71/24/89/949712489.db2.gz WMEDCTOJNPAVFE-RISCZKNCSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170289 949715752 /nfs/dbraw/zinc/71/57/52/949715752.db2.gz JXWDKGZGYDVTFK-FZMZJTMJSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576170289 949715763 /nfs/dbraw/zinc/71/57/63/949715763.db2.gz JXWDKGZGYDVTFK-FZMZJTMJSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCC[C@@H](C)C1 ZINC001576170452 949718525 /nfs/dbraw/zinc/71/85/25/949718525.db2.gz KTSJKKUAAVYOKK-CHWSQXEVSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)N1CCC[C@@H](C)C1 ZINC001576170452 949718536 /nfs/dbraw/zinc/71/85/36/949718536.db2.gz KTSJKKUAAVYOKK-CHWSQXEVSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170518 949722203 /nfs/dbraw/zinc/72/22/03/949722203.db2.gz LVGGBXBJLFIOHC-RISCZKNCSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170518 949722222 /nfs/dbraw/zinc/72/22/22/949722222.db2.gz LVGGBXBJLFIOHC-RISCZKNCSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574960256 949724288 /nfs/dbraw/zinc/72/42/88/949724288.db2.gz VUXSAVSQEZYAFA-MRVWCRGKSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574717043 949724154 /nfs/dbraw/zinc/72/41/54/949724154.db2.gz SPQKXRPGDFESQF-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574960256 949724299 /nfs/dbraw/zinc/72/42/99/949724299.db2.gz VUXSAVSQEZYAFA-MRVWCRGKSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CCN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]3C2)CCOC1 ZINC001575557639 949728387 /nfs/dbraw/zinc/72/83/87/949728387.db2.gz KCYUHYYLJJXOHQ-ZRGWGRIASA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CCN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)CCOC1 ZINC001575557639 949728400 /nfs/dbraw/zinc/72/84/00/949728400.db2.gz KCYUHYYLJJXOHQ-ZRGWGRIASA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1cnn(C)c1 ZINC001575276765 949729249 /nfs/dbraw/zinc/72/92/49/949729249.db2.gz LAZYDQCFHUAMTJ-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1cnn(C)c1 ZINC001575276765 949729261 /nfs/dbraw/zinc/72/92/61/949729261.db2.gz LAZYDQCFHUAMTJ-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574479279 949732009 /nfs/dbraw/zinc/73/20/09/949732009.db2.gz DFLADGZIGAZSRM-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574479279 949732022 /nfs/dbraw/zinc/73/20/22/949732022.db2.gz DFLADGZIGAZSRM-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574960998 949733250 /nfs/dbraw/zinc/73/32/50/949733250.db2.gz ZFNIPEFDZINRJN-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574960998 949733261 /nfs/dbraw/zinc/73/32/61/949733261.db2.gz ZFNIPEFDZINRJN-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575558726 949741045 /nfs/dbraw/zinc/74/10/45/949741045.db2.gz RLWRNKQUEHWELL-YSYLPMMESA-N -1 3 385.428 0.198 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575558726 949741063 /nfs/dbraw/zinc/74/10/63/949741063.db2.gz RLWRNKQUEHWELL-YSYLPMMESA-N -1 3 385.428 0.198 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001576170856 949742781 /nfs/dbraw/zinc/74/27/81/949742781.db2.gz NZSKBMSQTGXMGH-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001576170855 949743036 /nfs/dbraw/zinc/74/30/36/949743036.db2.gz NZSKBMSQTGXMGH-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM CC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)CCOCC1 ZINC001575558494 949743597 /nfs/dbraw/zinc/74/35/97/949743597.db2.gz QCTSKNCORDOOOE-NFAWXSAZSA-N -1 3 399.455 0.873 20 0 GCADHM CC1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)CCOCC1 ZINC001575558494 949743609 /nfs/dbraw/zinc/74/36/09/949743609.db2.gz QCTSKNCORDOOOE-NFAWXSAZSA-N -1 3 399.455 0.873 20 0 GCADHM C[C@@H](NC(=O)CCc1cncn1C)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277230 949744604 /nfs/dbraw/zinc/74/46/04/949744604.db2.gz PDCVSNAKBYVUGK-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1cncn1C)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277230 949744617 /nfs/dbraw/zinc/74/46/17/949744617.db2.gz PDCVSNAKBYVUGK-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574480140 949745116 /nfs/dbraw/zinc/74/51/16/949745116.db2.gz GYVGYYHLDKLJHN-DGCLKSJQSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574480140 949745122 /nfs/dbraw/zinc/74/51/22/949745122.db2.gz GYVGYYHLDKLJHN-DGCLKSJQSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574717842 949747989 /nfs/dbraw/zinc/74/79/89/949747989.db2.gz QSLHDNXSNWFFQK-QWRGUYRKSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574717842 949748008 /nfs/dbraw/zinc/74/80/08/949748008.db2.gz QSLHDNXSNWFFQK-QWRGUYRKSA-N -1 3 375.408 0.791 20 0 GCADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCC1 ZINC001575559188 949749502 /nfs/dbraw/zinc/74/95/02/949749502.db2.gz VBCXUNZDVYURCF-NSHDSACASA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCC1 ZINC001575559188 949749513 /nfs/dbraw/zinc/74/95/13/949749513.db2.gz VBCXUNZDVYURCF-NSHDSACASA-N -1 3 375.433 0.372 20 0 GCADHM C[C@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575277337 949750139 /nfs/dbraw/zinc/75/01/39/949750139.db2.gz PZUMQCSHKOQOKH-LBPRGKRZSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](NC(=O)CCS(C)(=O)=O)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575277337 949750154 /nfs/dbraw/zinc/75/01/54/949750154.db2.gz PZUMQCSHKOQOKH-LBPRGKRZSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](NC(=O)CCc1nccs1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277637 949753580 /nfs/dbraw/zinc/75/35/80/949753580.db2.gz RLQPIHUSJXBSSF-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1nccs1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277637 949753597 /nfs/dbraw/zinc/75/35/97/949753597.db2.gz RLQPIHUSJXBSSF-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNc2ncccc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575559282 949754593 /nfs/dbraw/zinc/75/45/93/949754593.db2.gz WFUCOCNCHMVRJU-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNc2ncccc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575559282 949754609 /nfs/dbraw/zinc/75/46/09/949754609.db2.gz WFUCOCNCHMVRJU-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574963703 949755254 /nfs/dbraw/zinc/75/52/54/949755254.db2.gz LDNUWQIKQYEYAP-IINYFYTJSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574718043 949755895 /nfs/dbraw/zinc/75/58/95/949755895.db2.gz RMORQDHUPQHZEP-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574718043 949755902 /nfs/dbraw/zinc/75/59/02/949755902.db2.gz RMORQDHUPQHZEP-KPZWWZAWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cccnn1 ZINC001575882198 949758593 /nfs/dbraw/zinc/75/85/93/949758593.db2.gz HSJNFIQQCLWADR-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cccnn1 ZINC001575882198 949758613 /nfs/dbraw/zinc/75/86/13/949758613.db2.gz HSJNFIQQCLWADR-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNc2ncccc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575559554 949759122 /nfs/dbraw/zinc/75/91/22/949759122.db2.gz WFUCOCNCHMVRJU-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNc2ncccc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575559554 949759131 /nfs/dbraw/zinc/75/91/31/949759131.db2.gz WFUCOCNCHMVRJU-UGSOOPFHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1nccn1C ZINC001575278182 949766074 /nfs/dbraw/zinc/76/60/74/949766074.db2.gz UCMAFSDEZHPZRM-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1nccn1C ZINC001575278182 949766091 /nfs/dbraw/zinc/76/60/91/949766091.db2.gz UCMAFSDEZHPZRM-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575882324 949766425 /nfs/dbraw/zinc/76/64/25/949766425.db2.gz IUMZXKLLNCEEMH-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575882324 949766445 /nfs/dbraw/zinc/76/64/45/949766445.db2.gz IUMZXKLLNCEEMH-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575882317 949768612 /nfs/dbraw/zinc/76/86/12/949768612.db2.gz IQWDVJRMGINUAI-IGMMHVEYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882317 949768634 /nfs/dbraw/zinc/76/86/34/949768634.db2.gz IQWDVJRMGINUAI-IGMMHVEYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CC(C)(C)CO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718215 949768803 /nfs/dbraw/zinc/76/88/03/949768803.db2.gz ZLHNMZDRBATDIX-AAEUAGOBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CC(C)(C)CO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718215 949768813 /nfs/dbraw/zinc/76/88/13/949768813.db2.gz ZLHNMZDRBATDIX-AAEUAGOBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574718272 949772329 /nfs/dbraw/zinc/77/23/29/949772329.db2.gz UVEAPILMKKWNOC-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574718272 949772338 /nfs/dbraw/zinc/77/23/38/949772338.db2.gz UVEAPILMKKWNOC-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574718248 949773002 /nfs/dbraw/zinc/77/30/02/949773002.db2.gz ZPWFZFWNZBAXAS-GXSJLCMTSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574718248 949773013 /nfs/dbraw/zinc/77/30/13/949773013.db2.gz ZPWFZFWNZBAXAS-GXSJLCMTSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncn1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575279183 949773989 /nfs/dbraw/zinc/77/39/89/949773989.db2.gz WRMLWRPUXJAHEF-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncn1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575279183 949774006 /nfs/dbraw/zinc/77/40/06/949774006.db2.gz WRMLWRPUXJAHEF-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)COCC1CC1 ZINC001575882380 949773851 /nfs/dbraw/zinc/77/38/51/949773851.db2.gz JVHWZCYDHMDBLY-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)COCC1CC1 ZINC001575882380 949773867 /nfs/dbraw/zinc/77/38/67/949773867.db2.gz JVHWZCYDHMDBLY-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CCc1cccnc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575278856 949775398 /nfs/dbraw/zinc/77/53/98/949775398.db2.gz WGVKQEZIABDAMZ-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1cccnc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575278856 949775415 /nfs/dbraw/zinc/77/54/15/949775415.db2.gz WGVKQEZIABDAMZ-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM CC(C)C[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574138061 949775915 /nfs/dbraw/zinc/77/59/15/949775915.db2.gz ZQIRLLWMKWNHNU-WCQYABFASA-N -1 3 377.449 0.426 20 0 GCADHM CC(C)C[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574138061 949775938 /nfs/dbraw/zinc/77/59/38/949775938.db2.gz ZQIRLLWMKWNHNU-WCQYABFASA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](NC(=O)CCc1ccnn1C)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575279197 949775972 /nfs/dbraw/zinc/77/59/72/949775972.db2.gz WZHIGULHLBQMMX-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1ccnn1C)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575279197 949775994 /nfs/dbraw/zinc/77/59/94/949775994.db2.gz WZHIGULHLBQMMX-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1ccncn1 ZINC001575279186 949776046 /nfs/dbraw/zinc/77/60/46/949776046.db2.gz WRMLWRPUXJAHEF-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1ccncn1 ZINC001575279186 949776059 /nfs/dbraw/zinc/77/60/59/949776059.db2.gz WRMLWRPUXJAHEF-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574718411 949777100 /nfs/dbraw/zinc/77/71/00/949777100.db2.gz WKOQVFJPJRABNU-NEPJUHHUSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@H]1CCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574718411 949777118 /nfs/dbraw/zinc/77/71/18/949777118.db2.gz WKOQVFJPJRABNU-NEPJUHHUSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574138027 949778446 /nfs/dbraw/zinc/77/84/46/949778446.db2.gz ZEXNCSTZVMHPHT-WCQYABFASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574138027 949778462 /nfs/dbraw/zinc/77/84/62/949778462.db2.gz ZEXNCSTZVMHPHT-WCQYABFASA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171807 949782295 /nfs/dbraw/zinc/78/22/95/949782295.db2.gz SQGCDWCEEHYHIK-SMDDNHRTSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171807 949782312 /nfs/dbraw/zinc/78/23/12/949782312.db2.gz SQGCDWCEEHYHIK-SMDDNHRTSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576171802 949783793 /nfs/dbraw/zinc/78/37/93/949783793.db2.gz SOPWQVRJZPANGD-GXTWGEPZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576171802 949783809 /nfs/dbraw/zinc/78/38/09/949783809.db2.gz SOPWQVRJZPANGD-GXTWGEPZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574481493 949784283 /nfs/dbraw/zinc/78/42/83/949784283.db2.gz QMDCQJDEMQYGER-STQMWFEESA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574481532 949784854 /nfs/dbraw/zinc/78/48/54/949784854.db2.gz QZTSJOAPDWWUEN-QWHCGFSZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574481532 949784876 /nfs/dbraw/zinc/78/48/76/949784876.db2.gz QZTSJOAPDWWUEN-QWHCGFSZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574481530 949784929 /nfs/dbraw/zinc/78/49/29/949784929.db2.gz QZTSJOAPDWWUEN-CHWSQXEVSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574481530 949784946 /nfs/dbraw/zinc/78/49/46/949784946.db2.gz QZTSJOAPDWWUEN-CHWSQXEVSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1n[nH]cc1F ZINC001575882748 949785433 /nfs/dbraw/zinc/78/54/33/949785433.db2.gz NVCHBUVCCHCDJQ-GZMMTYOYSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1n[nH]cc1F ZINC001575882748 949785446 /nfs/dbraw/zinc/78/54/46/949785446.db2.gz NVCHBUVCCHCDJQ-GZMMTYOYSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574481555 949788059 /nfs/dbraw/zinc/78/80/59/949788059.db2.gz RNIUSWUJSZYPOC-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574481555 949788070 /nfs/dbraw/zinc/78/80/70/949788070.db2.gz RNIUSWUJSZYPOC-STQMWFEESA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cn1cccn1 ZINC001575882737 949788876 /nfs/dbraw/zinc/78/88/76/949788876.db2.gz NPOJAIWHYFSLPA-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cn1cccn1 ZINC001575882737 949788889 /nfs/dbraw/zinc/78/88/89/949788889.db2.gz NPOJAIWHYFSLPA-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575280911 949791806 /nfs/dbraw/zinc/79/18/06/949791806.db2.gz BONNCXZTKOXNHN-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575280911 949791825 /nfs/dbraw/zinc/79/18/25/949791825.db2.gz BONNCXZTKOXNHN-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575882830 949792794 /nfs/dbraw/zinc/79/27/94/949792794.db2.gz ATXHIOQCXLOVQZ-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575882830 949792826 /nfs/dbraw/zinc/79/28/26/949792826.db2.gz ATXHIOQCXLOVQZ-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882849 949793359 /nfs/dbraw/zinc/79/33/59/949793359.db2.gz AYVYCOZBRJOVKI-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882849 949793375 /nfs/dbraw/zinc/79/33/75/949793375.db2.gz AYVYCOZBRJOVKI-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H](CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574481686 949794627 /nfs/dbraw/zinc/79/46/27/949794627.db2.gz TZPGGMJVPRLHET-LLVKDONJSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574481686 949794643 /nfs/dbraw/zinc/79/46/43/949794643.db2.gz TZPGGMJVPRLHET-LLVKDONJSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575280875 949794864 /nfs/dbraw/zinc/79/48/64/949794864.db2.gz AYWBAHXDUBPVFU-QWRGUYRKSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575280875 949794877 /nfs/dbraw/zinc/79/48/77/949794877.db2.gz AYWBAHXDUBPVFU-QWRGUYRKSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575883038 949795241 /nfs/dbraw/zinc/79/52/41/949795241.db2.gz BUQPOUONEUVKHP-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575883038 949795256 /nfs/dbraw/zinc/79/52/56/949795256.db2.gz BUQPOUONEUVKHP-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573822614 949798555 /nfs/dbraw/zinc/79/85/55/949798555.db2.gz KSBPTJRENOWYIY-NWDGAFQWSA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573822614 949798569 /nfs/dbraw/zinc/79/85/69/949798569.db2.gz KSBPTJRENOWYIY-NWDGAFQWSA-N -1 3 390.423 0.622 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574720841 949802817 /nfs/dbraw/zinc/80/28/17/949802817.db2.gz IBTOFVGQCCJABC-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574720841 949802839 /nfs/dbraw/zinc/80/28/39/949802839.db2.gz IBTOFVGQCCJABC-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574720842 949804625 /nfs/dbraw/zinc/80/46/25/949804625.db2.gz IBTOFVGQCCJABC-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574720842 949804648 /nfs/dbraw/zinc/80/46/48/949804648.db2.gz IBTOFVGQCCJABC-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575883059 949806113 /nfs/dbraw/zinc/80/61/13/949806113.db2.gz CGHZFHLKTXIEPW-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575883059 949806139 /nfs/dbraw/zinc/80/61/39/949806139.db2.gz CGHZFHLKTXIEPW-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575281431 949807686 /nfs/dbraw/zinc/80/76/86/949807686.db2.gz GBWRCYFAMFRAOW-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575281431 949807709 /nfs/dbraw/zinc/80/77/09/949807709.db2.gz GBWRCYFAMFRAOW-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574721161 949809653 /nfs/dbraw/zinc/80/96/53/949809653.db2.gz JVUFLJJPCYROAH-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574721161 949809681 /nfs/dbraw/zinc/80/96/81/949809681.db2.gz JVUFLJJPCYROAH-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](NC(=O)CN1CC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575281698 949818216 /nfs/dbraw/zinc/81/82/16/949818216.db2.gz AHXRBILYVBWHAS-QWRGUYRKSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@H](NC(=O)CN1CC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575281698 949818249 /nfs/dbraw/zinc/81/82/49/949818249.db2.gz AHXRBILYVBWHAS-QWRGUYRKSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576172736 949822451 /nfs/dbraw/zinc/82/24/51/949822451.db2.gz VVKYTSFBVYGMCF-OCCSQVGLSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576172736 949822474 /nfs/dbraw/zinc/82/24/74/949822474.db2.gz VVKYTSFBVYGMCF-OCCSQVGLSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1COC(=O)N1 ZINC001573823342 949824120 /nfs/dbraw/zinc/82/41/20/949824120.db2.gz VDJBHKIJBNUDID-MNOVXSKESA-N -1 3 392.395 0.452 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1COC(=O)N1 ZINC001573823342 949824141 /nfs/dbraw/zinc/82/41/41/949824141.db2.gz VDJBHKIJBNUDID-MNOVXSKESA-N -1 3 392.395 0.452 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)C1=CCOCC1 ZINC001575883631 949826209 /nfs/dbraw/zinc/82/62/09/949826209.db2.gz RVFRDQALLAAENY-SMDDNHRTSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)C1=CCOCC1 ZINC001575883631 949826229 /nfs/dbraw/zinc/82/62/29/949826229.db2.gz RVFRDQALLAAENY-SMDDNHRTSA-N -1 3 385.428 0.651 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573823297 949826806 /nfs/dbraw/zinc/82/68/06/949826806.db2.gz UKQFMEQRSSQUAG-WCQYABFASA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573823297 949826829 /nfs/dbraw/zinc/82/68/29/949826829.db2.gz UKQFMEQRSSQUAG-WCQYABFASA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@H]1CCNC1=O ZINC001573823421 949829816 /nfs/dbraw/zinc/82/98/16/949829816.db2.gz WOLGUUAQDWVNOF-DGCLKSJQSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@H]1CCNC1=O ZINC001573823421 949829832 /nfs/dbraw/zinc/82/98/32/949829832.db2.gz WOLGUUAQDWVNOF-DGCLKSJQSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575883773 949829975 /nfs/dbraw/zinc/82/99/75/949829975.db2.gz GXHPVJUXQNFFAI-DGCLKSJQSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575883773 949829996 /nfs/dbraw/zinc/82/99/96/949829996.db2.gz GXHPVJUXQNFFAI-DGCLKSJQSA-N -1 3 387.444 0.609 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574139973 949831270 /nfs/dbraw/zinc/83/12/70/949831270.db2.gz MHCLIVPYLKJOSV-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574139973 949831286 /nfs/dbraw/zinc/83/12/86/949831286.db2.gz MHCLIVPYLKJOSV-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccc1 ZINC001574483596 949831430 /nfs/dbraw/zinc/83/14/30/949831430.db2.gz FCWGAFIUWZSKRH-ZDUSSCGKSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccc1 ZINC001574483596 949831452 /nfs/dbraw/zinc/83/14/52/949831452.db2.gz FCWGAFIUWZSKRH-ZDUSSCGKSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cn(C)cn1 ZINC001575883906 949832344 /nfs/dbraw/zinc/83/23/44/949832344.db2.gz HJLCODFICHUPCC-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cn(C)cn1 ZINC001575883906 949832368 /nfs/dbraw/zinc/83/23/68/949832368.db2.gz HJLCODFICHUPCC-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576173084 949833162 /nfs/dbraw/zinc/83/31/62/949833162.db2.gz WSVAIPKCHXCKFF-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576173084 949833184 /nfs/dbraw/zinc/83/31/84/949833184.db2.gz WSVAIPKCHXCKFF-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1csnn1 ZINC001575884261 949839065 /nfs/dbraw/zinc/83/90/65/949839065.db2.gz IAFKVOLNRLFJGO-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1csnn1 ZINC001575884261 949839098 /nfs/dbraw/zinc/83/90/98/949839098.db2.gz IAFKVOLNRLFJGO-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001573823878 949841997 /nfs/dbraw/zinc/84/19/97/949841997.db2.gz ADWATXJLEPTVKC-NSHDSACASA-N -1 3 384.404 0.469 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001573823878 949842017 /nfs/dbraw/zinc/84/20/17/949842017.db2.gz ADWATXJLEPTVKC-NSHDSACASA-N -1 3 384.404 0.469 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575282608 949843249 /nfs/dbraw/zinc/84/32/49/949843249.db2.gz LIUSGMGRONFZNH-NEPJUHHUSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575282608 949843273 /nfs/dbraw/zinc/84/32/73/949843273.db2.gz LIUSGMGRONFZNH-NEPJUHHUSA-N -1 3 385.432 0.517 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573824156 949846102 /nfs/dbraw/zinc/84/61/02/949846102.db2.gz DHLOPLRFLQWEFY-GVXVVHGQSA-N -1 3 387.448 0.404 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573824156 949846123 /nfs/dbraw/zinc/84/61/23/949846123.db2.gz DHLOPLRFLQWEFY-GVXVVHGQSA-N -1 3 387.448 0.404 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573824119 949846858 /nfs/dbraw/zinc/84/68/58/949846858.db2.gz CJDJWTICQFNJOP-GDKBPFBDSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573824119 949846881 /nfs/dbraw/zinc/84/68/81/949846881.db2.gz CJDJWTICQFNJOP-GDKBPFBDSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CC(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1)NC(N)=O ZINC001574483890 949849919 /nfs/dbraw/zinc/84/99/19/949849919.db2.gz OJOFHALQBRMKFL-NSHDSACASA-N -1 3 390.423 0.097 20 0 GCADHM C[C@@H](CC(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1)NC(N)=O ZINC001574483890 949849942 /nfs/dbraw/zinc/84/99/42/949849942.db2.gz OJOFHALQBRMKFL-NSHDSACASA-N -1 3 390.423 0.097 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573824568 949851065 /nfs/dbraw/zinc/85/10/65/949851065.db2.gz HGDDPRWUBWKVDR-KGPNIALWSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573824568 949851093 /nfs/dbraw/zinc/85/10/93/949851093.db2.gz HGDDPRWUBWKVDR-KGPNIALWSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573824567 949853620 /nfs/dbraw/zinc/85/36/20/949853620.db2.gz HGDDPRWUBWKVDR-GDKBPFBDSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573824567 949853642 /nfs/dbraw/zinc/85/36/42/949853642.db2.gz HGDDPRWUBWKVDR-GDKBPFBDSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575283096 949856413 /nfs/dbraw/zinc/85/64/13/949856413.db2.gz NKGRQHNIRNPIMG-GHMZBOCLSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccc1 ZINC001574484097 949857037 /nfs/dbraw/zinc/85/70/37/949857037.db2.gz UUROXURNVGENOG-CYBMUJFWSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccc1 ZINC001574484097 949857058 /nfs/dbraw/zinc/85/70/58/949857058.db2.gz UUROXURNVGENOG-CYBMUJFWSA-N -1 3 382.428 0.932 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573824954 949858247 /nfs/dbraw/zinc/85/82/47/949858247.db2.gz JBLNBKLKQUOVAY-MFKMUULPSA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573824954 949858269 /nfs/dbraw/zinc/85/82/69/949858269.db2.gz JBLNBKLKQUOVAY-MFKMUULPSA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575283159 949858200 /nfs/dbraw/zinc/85/82/00/949858200.db2.gz NZEAPFPLTABAHJ-WDEREUQCSA-N -1 3 381.462 0.390 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575283159 949858220 /nfs/dbraw/zinc/85/82/20/949858220.db2.gz NZEAPFPLTABAHJ-WDEREUQCSA-N -1 3 381.462 0.390 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575283156 949861994 /nfs/dbraw/zinc/86/19/94/949861994.db2.gz NZEAPFPLTABAHJ-GHMZBOCLSA-N -1 3 381.462 0.390 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575283156 949862019 /nfs/dbraw/zinc/86/20/19/949862019.db2.gz NZEAPFPLTABAHJ-GHMZBOCLSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1cnc[nH]1 ZINC001575885473 949864124 /nfs/dbraw/zinc/86/41/24/949864124.db2.gz WWAHFCVQIFQEKH-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574724249 949864672 /nfs/dbraw/zinc/86/46/72/949864672.db2.gz FNJKYBJFQRWFJW-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574724249 949864694 /nfs/dbraw/zinc/86/46/94/949864694.db2.gz FNJKYBJFQRWFJW-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575885632 949868646 /nfs/dbraw/zinc/86/86/46/949868646.db2.gz KLCHONDISKGNEY-APACUCGBSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575885632 949868663 /nfs/dbraw/zinc/86/86/63/949868663.db2.gz KLCHONDISKGNEY-APACUCGBSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575885663 949869721 /nfs/dbraw/zinc/86/97/21/949869721.db2.gz KWBBOUJOGZEPJZ-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575885663 949869743 /nfs/dbraw/zinc/86/97/43/949869743.db2.gz KWBBOUJOGZEPJZ-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573825251 949870318 /nfs/dbraw/zinc/87/03/18/949870318.db2.gz OGDIYURBFWFXQJ-GDKBPFBDSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573825251 949870335 /nfs/dbraw/zinc/87/03/35/949870335.db2.gz OGDIYURBFWFXQJ-GDKBPFBDSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575885733 949870713 /nfs/dbraw/zinc/87/07/13/949870713.db2.gz KZPUVGBJBWVSEE-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001575885733 949870731 /nfs/dbraw/zinc/87/07/31/949870731.db2.gz KZPUVGBJBWVSEE-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576177938 949871025 /nfs/dbraw/zinc/87/10/25/949871025.db2.gz ABBDEJFVCKVDLZ-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576177938 949871041 /nfs/dbraw/zinc/87/10/41/949871041.db2.gz ABBDEJFVCKVDLZ-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575886227 949873793 /nfs/dbraw/zinc/87/37/93/949873793.db2.gz XODWXVNLAVJOCS-ZYHUDNBSSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575886227 949873810 /nfs/dbraw/zinc/87/38/10/949873810.db2.gz XODWXVNLAVJOCS-ZYHUDNBSSA-N -1 3 386.395 0.166 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)C1 ZINC001573825302 949876221 /nfs/dbraw/zinc/87/62/21/949876221.db2.gz QPYYMHXWYZJXGQ-DCNYZXSGSA-N -1 3 385.472 1.000 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)C1 ZINC001573825302 949876243 /nfs/dbraw/zinc/87/62/43/949876243.db2.gz QPYYMHXWYZJXGQ-DCNYZXSGSA-N -1 3 385.472 1.000 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575885811 949879188 /nfs/dbraw/zinc/87/91/88/949879188.db2.gz LKNDRBVEXIAGAY-JQWIXIFHSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575885811 949879216 /nfs/dbraw/zinc/87/92/16/949879216.db2.gz LKNDRBVEXIAGAY-JQWIXIFHSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@H](NC(=O)CN1CCCC1)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575283716 949882381 /nfs/dbraw/zinc/88/23/81/949882381.db2.gz HACBFYAIBHMYJV-KBPBESRZSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)CC1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576178234 949882502 /nfs/dbraw/zinc/88/25/02/949882502.db2.gz GURQPJJFPIRBPR-ZDUSSCGKSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H](NC(=O)CN1CCCC1)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575283657 949882743 /nfs/dbraw/zinc/88/27/43/949882743.db2.gz GPQYYSHYOARBRZ-UONOGXRCSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575886317 949882918 /nfs/dbraw/zinc/88/29/18/949882918.db2.gz XVJRDQWDJXNPHA-DGCLKSJQSA-N -1 3 382.432 0.106 20 0 GCADHM C[C@H](CN(C)C(=O)C(=O)N1CCC(C)CC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576178231 949883065 /nfs/dbraw/zinc/88/30/65/949883065.db2.gz GUPKBWXWTIOHDQ-CYBMUJFWSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](CN(C)C(=O)C(=O)N1CCC(C)CC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576178231 949883088 /nfs/dbraw/zinc/88/30/88/949883088.db2.gz GUPKBWXWTIOHDQ-CYBMUJFWSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574967953 949884963 /nfs/dbraw/zinc/88/49/63/949884963.db2.gz KGYUUPCHQHLJFF-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574967953 949884984 /nfs/dbraw/zinc/88/49/84/949884984.db2.gz KGYUUPCHQHLJFF-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575284015 949892014 /nfs/dbraw/zinc/89/20/14/949892014.db2.gz SNZIXJDWTNVNTO-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575284015 949892025 /nfs/dbraw/zinc/89/20/25/949892025.db2.gz SNZIXJDWTNVNTO-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575284230 949898877 /nfs/dbraw/zinc/89/88/77/949898877.db2.gz IQQKGVUCPRYFFE-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284230 949898911 /nfs/dbraw/zinc/89/89/11/949898911.db2.gz IQQKGVUCPRYFFE-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)C[C@H](C)OCCC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574143931 949900962 /nfs/dbraw/zinc/90/09/62/949900962.db2.gz IVYZQQRWUDLIAA-LBPRGKRZSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@H](C)OCCC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574143931 949900974 /nfs/dbraw/zinc/90/09/74/949900974.db2.gz IVYZQQRWUDLIAA-LBPRGKRZSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574725622 949902871 /nfs/dbraw/zinc/90/28/71/949902871.db2.gz UAFXPMDQGAJOIX-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574725622 949902885 /nfs/dbraw/zinc/90/28/85/949902885.db2.gz UAFXPMDQGAJOIX-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001574968668 949907082 /nfs/dbraw/zinc/90/70/82/949907082.db2.gz RLAHUBGDUQZVQH-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001574968668 949907095 /nfs/dbraw/zinc/90/70/95/949907095.db2.gz RLAHUBGDUQZVQH-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575569137 949908655 /nfs/dbraw/zinc/90/86/55/949908655.db2.gz GSUAZFXVPNDGMW-UGSOOPFHSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575569137 949908677 /nfs/dbraw/zinc/90/86/77/949908677.db2.gz GSUAZFXVPNDGMW-UGSOOPFHSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001573826755 949910469 /nfs/dbraw/zinc/91/04/69/949910469.db2.gz IUJYJAGJWYGSSV-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001573826755 949910486 /nfs/dbraw/zinc/91/04/86/949910486.db2.gz IUJYJAGJWYGSSV-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575284622 949910719 /nfs/dbraw/zinc/91/07/19/949910719.db2.gz KBPVXQJBEQOOFW-NXEZZACHSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575284622 949910742 /nfs/dbraw/zinc/91/07/42/949910742.db2.gz KBPVXQJBEQOOFW-NXEZZACHSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1CC(=O)N(C)C1CC1 ZINC001575887753 949912391 /nfs/dbraw/zinc/91/23/91/949912391.db2.gz OTAKBOZHNVKSBS-BXUZGUMPSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CC(=O)N(C)C1CC1 ZINC001575887753 949912408 /nfs/dbraw/zinc/91/24/08/949912408.db2.gz OTAKBOZHNVKSBS-BXUZGUMPSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575888334 949913260 /nfs/dbraw/zinc/91/32/60/949913260.db2.gz PQWDJYDNBSYNCE-JQWIXIFHSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575888334 949913275 /nfs/dbraw/zinc/91/32/75/949913275.db2.gz PQWDJYDNBSYNCE-JQWIXIFHSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccncc1F ZINC001575887940 949914857 /nfs/dbraw/zinc/91/48/57/949914857.db2.gz PGHYCJMAXSZOGL-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccncc1F ZINC001575887940 949914872 /nfs/dbraw/zinc/91/48/72/949914872.db2.gz PGHYCJMAXSZOGL-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574725990 949917934 /nfs/dbraw/zinc/91/79/34/949917934.db2.gz FEHBRNHWZBPFMT-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CN(C)C(=O)COCc1ccnn1C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574725990 949917949 /nfs/dbraw/zinc/91/79/49/949917949.db2.gz FEHBRNHWZBPFMT-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575888997 949920556 /nfs/dbraw/zinc/92/05/56/949920556.db2.gz RAKLWCVVRNTUQI-CABZTGNLSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575888997 949920572 /nfs/dbraw/zinc/92/05/72/949920572.db2.gz RAKLWCVVRNTUQI-CABZTGNLSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575284967 949926047 /nfs/dbraw/zinc/92/60/47/949926047.db2.gz XHSLBTBCMRBXOK-NWDGAFQWSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575284967 949926061 /nfs/dbraw/zinc/92/60/61/949926061.db2.gz XHSLBTBCMRBXOK-NWDGAFQWSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574726227 949928559 /nfs/dbraw/zinc/92/85/59/949928559.db2.gz XXZRRFMZOWJMSI-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574726227 949928572 /nfs/dbraw/zinc/92/85/72/949928572.db2.gz XXZRRFMZOWJMSI-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)n1ccnc1 ZINC001574487655 949929589 /nfs/dbraw/zinc/92/95/89/949929589.db2.gz AQLOFEUDLKWUFW-SNPRPXQTSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)n1ccnc1 ZINC001574487655 949929607 /nfs/dbraw/zinc/92/96/07/949929607.db2.gz AQLOFEUDLKWUFW-SNPRPXQTSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575889621 949930276 /nfs/dbraw/zinc/93/02/76/949930276.db2.gz SZMMTDMZLCVRCR-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575889621 949930298 /nfs/dbraw/zinc/93/02/98/949930298.db2.gz SZMMTDMZLCVRCR-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574726312 949932788 /nfs/dbraw/zinc/93/27/88/949932788.db2.gz YWVHKHZACLYRQT-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574726312 949932811 /nfs/dbraw/zinc/93/28/11/949932811.db2.gz YWVHKHZACLYRQT-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccn(C)c1 ZINC001575889786 949935346 /nfs/dbraw/zinc/93/53/46/949935346.db2.gz TXMYGVZEIAOGII-FZMZJTMJSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccn(C)c1 ZINC001575889786 949935364 /nfs/dbraw/zinc/93/53/64/949935364.db2.gz TXMYGVZEIAOGII-FZMZJTMJSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576180118 949937813 /nfs/dbraw/zinc/93/78/13/949937813.db2.gz CFEOVUJCVLMALJ-QWHCGFSZSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576180118 949937840 /nfs/dbraw/zinc/93/78/40/949937840.db2.gz CFEOVUJCVLMALJ-QWHCGFSZSA-N -1 3 386.460 0.814 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574146280 949938839 /nfs/dbraw/zinc/93/88/39/949938839.db2.gz XHCCEABYGHUADK-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574146280 949938861 /nfs/dbraw/zinc/93/88/61/949938861.db2.gz XHCCEABYGHUADK-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cncn1C ZINC001575890134 949940523 /nfs/dbraw/zinc/94/05/23/949940523.db2.gz VOBJPPMKAFTHKQ-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cncn1C ZINC001575890134 949940541 /nfs/dbraw/zinc/94/05/41/949940541.db2.gz VOBJPPMKAFTHKQ-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001574972547 949941498 /nfs/dbraw/zinc/94/14/98/949941498.db2.gz CYSSHVXMDKNWSK-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001574972547 949941510 /nfs/dbraw/zinc/94/15/10/949941510.db2.gz CYSSHVXMDKNWSK-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180191 949942236 /nfs/dbraw/zinc/94/22/36/949942236.db2.gz CRXBGUSYPMEYHL-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180191 949942250 /nfs/dbraw/zinc/94/22/50/949942250.db2.gz CRXBGUSYPMEYHL-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001574972649 949944839 /nfs/dbraw/zinc/94/48/39/949944839.db2.gz DKKKWNUJOMWVML-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001574972649 949944860 /nfs/dbraw/zinc/94/48/60/949944860.db2.gz DKKKWNUJOMWVML-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1ccccc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574726598 949945014 /nfs/dbraw/zinc/94/50/14/949945014.db2.gz KRHCOSCFYRNEHU-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574726598 949945026 /nfs/dbraw/zinc/94/50/26/949945026.db2.gz KRHCOSCFYRNEHU-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575890361 949945499 /nfs/dbraw/zinc/94/54/99/949945499.db2.gz WRVHIGTVOCPDJN-KCJUWKMLSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575890361 949945514 /nfs/dbraw/zinc/94/55/14/949945514.db2.gz WRVHIGTVOCPDJN-KCJUWKMLSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575890363 949947589 /nfs/dbraw/zinc/94/75/89/949947589.db2.gz WRVHIGTVOCPDJN-LDYMZIIASA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575890363 949947606 /nfs/dbraw/zinc/94/76/06/949947606.db2.gz WRVHIGTVOCPDJN-LDYMZIIASA-N -1 3 387.379 0.480 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)CCC(=O)NC1 ZINC001575570908 949947788 /nfs/dbraw/zinc/94/77/88/949947788.db2.gz WJIXYMWJRYWHTA-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)CCC(=O)NC1 ZINC001575570908 949947801 /nfs/dbraw/zinc/94/78/01/949947801.db2.gz WJIXYMWJRYWHTA-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](O)C(C)C ZINC001574147732 949948575 /nfs/dbraw/zinc/94/85/75/949948575.db2.gz AYURWCGJFWCGOG-BXUZGUMPSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](O)C(C)C ZINC001574147732 949948583 /nfs/dbraw/zinc/94/85/83/949948583.db2.gz AYURWCGJFWCGOG-BXUZGUMPSA-N -1 3 377.449 0.472 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001574488364 949948904 /nfs/dbraw/zinc/94/89/04/949948904.db2.gz DQMUONZPGFBYKS-HONMWMINSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001574488364 949948920 /nfs/dbraw/zinc/94/89/20/949948920.db2.gz DQMUONZPGFBYKS-HONMWMINSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1conc1C1CC1 ZINC001574973437 949950036 /nfs/dbraw/zinc/95/00/36/949950036.db2.gz GWEMHEQBLSRORY-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1conc1C1CC1 ZINC001574973437 949950056 /nfs/dbraw/zinc/95/00/56/949950056.db2.gz GWEMHEQBLSRORY-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574726965 949950286 /nfs/dbraw/zinc/95/02/86/949950286.db2.gz MZORJGMMSXIGPE-ZDUSSCGKSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574726965 949950307 /nfs/dbraw/zinc/95/03/07/949950307.db2.gz MZORJGMMSXIGPE-ZDUSSCGKSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](CNc2ncccc2-c2nnn[n-]2)[C@H](C)C1)NC(N)=O ZINC001574488841 949950524 /nfs/dbraw/zinc/95/05/24/949950524.db2.gz GQODKLQPBGCWKN-GRYCIOLGSA-N -1 3 387.448 0.215 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](CNc2ncccc2-c2nn[n-]n2)[C@H](C)C1)NC(N)=O ZINC001574488841 949950539 /nfs/dbraw/zinc/95/05/39/949950539.db2.gz GQODKLQPBGCWKN-GRYCIOLGSA-N -1 3 387.448 0.215 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](O)C(C)C ZINC001574147733 949952335 /nfs/dbraw/zinc/95/23/35/949952335.db2.gz AYURWCGJFWCGOG-SMDDNHRTSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](O)C(C)C ZINC001574147733 949952353 /nfs/dbraw/zinc/95/23/53/949952353.db2.gz AYURWCGJFWCGOG-SMDDNHRTSA-N -1 3 377.449 0.472 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCCOC1 ZINC001575571169 949953550 /nfs/dbraw/zinc/95/35/50/949953550.db2.gz XXNTWNPQUYANNN-SJKOYZFVSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCCOC1 ZINC001575571169 949953563 /nfs/dbraw/zinc/95/35/63/949953563.db2.gz XXNTWNPQUYANNN-SJKOYZFVSA-N -1 3 375.408 0.912 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C)c1 ZINC001574147776 949955714 /nfs/dbraw/zinc/95/57/14/949955714.db2.gz BYVZYUVSIAVDFX-CYBMUJFWSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C)c1 ZINC001574147776 949955726 /nfs/dbraw/zinc/95/57/26/949955726.db2.gz BYVZYUVSIAVDFX-CYBMUJFWSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574147795 949957791 /nfs/dbraw/zinc/95/77/91/949957791.db2.gz CJFMATJIEATBNO-YPMHNXCESA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574147795 949957809 /nfs/dbraw/zinc/95/78/09/949957809.db2.gz CJFMATJIEATBNO-YPMHNXCESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575285662 949958146 /nfs/dbraw/zinc/95/81/46/949958146.db2.gz PRNITGHQAXVXCW-NEPJUHHUSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575285662 949958164 /nfs/dbraw/zinc/95/81/64/949958164.db2.gz PRNITGHQAXVXCW-NEPJUHHUSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575890551 949960046 /nfs/dbraw/zinc/96/00/46/949960046.db2.gz XXEISOFXSREZNJ-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575890551 949960070 /nfs/dbraw/zinc/96/00/70/949960070.db2.gz XXEISOFXSREZNJ-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@](CNC(=O)[C@@]1(C)CCOC1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575571777 949961146 /nfs/dbraw/zinc/96/11/46/949961146.db2.gz ADAVDGPCZOKKPZ-ROUUACIJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)[C@@]1(C)CCOC1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575571777 949961165 /nfs/dbraw/zinc/96/11/65/949961165.db2.gz ADAVDGPCZOKKPZ-ROUUACIJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576180562 949961946 /nfs/dbraw/zinc/96/19/46/949961946.db2.gz FDOMKQSMLHMXRN-QWHCGFSZSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576180562 949961959 /nfs/dbraw/zinc/96/19/59/949961959.db2.gz FDOMKQSMLHMXRN-QWHCGFSZSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575285978 949962892 /nfs/dbraw/zinc/96/28/92/949962892.db2.gz RYMHCJYDHPZHBT-YPMHNXCESA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575285978 949962916 /nfs/dbraw/zinc/96/29/16/949962916.db2.gz RYMHCJYDHPZHBT-YPMHNXCESA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575890740 949964223 /nfs/dbraw/zinc/96/42/23/949964223.db2.gz ZANSALYMZSBSMJ-PWSUYJOCSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575890740 949964237 /nfs/dbraw/zinc/96/42/37/949964237.db2.gz ZANSALYMZSBSMJ-PWSUYJOCSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@]1(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)CCCOC1 ZINC001575571993 949964635 /nfs/dbraw/zinc/96/46/35/949964635.db2.gz CCDFNNVBTPOHSP-DIFFPNOSSA-N -1 3 378.408 0.712 20 0 GCADHM C[C@]1(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)CCCOC1 ZINC001575571993 949964656 /nfs/dbraw/zinc/96/46/56/949964656.db2.gz CCDFNNVBTPOHSP-DIFFPNOSSA-N -1 3 378.408 0.712 20 0 GCADHM CC(C)(C)CC(=O)N1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573829968 949967039 /nfs/dbraw/zinc/96/70/39/949967039.db2.gz FYWFBTMGJJAUTA-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CC(=O)N1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573829968 949967057 /nfs/dbraw/zinc/96/70/57/949967057.db2.gz FYWFBTMGJJAUTA-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001575572014 949969083 /nfs/dbraw/zinc/96/90/83/949969083.db2.gz CLDVZLLXMDXKKH-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001575572014 949969101 /nfs/dbraw/zinc/96/91/01/949969101.db2.gz CLDVZLLXMDXKKH-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM C[C@](CNC(=O)[C@@]1(C)CCOC1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575572007 949969412 /nfs/dbraw/zinc/96/94/12/949969412.db2.gz CJFTXOHDMVKQTP-ZWKOTPCHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)[C@@]1(C)CCOC1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575572007 949969429 /nfs/dbraw/zinc/96/94/29/949969429.db2.gz CJFTXOHDMVKQTP-ZWKOTPCHSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1cnoc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574148025 949970743 /nfs/dbraw/zinc/97/07/43/949970743.db2.gz IYDOJWKQKBWQAJ-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1cnoc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148025 949970765 /nfs/dbraw/zinc/97/07/65/949970765.db2.gz IYDOJWKQKBWQAJ-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)c1cocn1 ZINC001576180826 949972786 /nfs/dbraw/zinc/97/27/86/949972786.db2.gz JKTVVQLIVLHKAI-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)c1cocn1 ZINC001576180826 949972799 /nfs/dbraw/zinc/97/27/99/949972799.db2.gz JKTVVQLIVLHKAI-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cncc(F)c1 ZINC001575890973 949973637 /nfs/dbraw/zinc/97/36/37/949973637.db2.gz CGFWJJUNCLWDED-JOYOIKCWSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cncc(F)c1 ZINC001575890973 949973657 /nfs/dbraw/zinc/97/36/57/949973657.db2.gz CGFWJJUNCLWDED-JOYOIKCWSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)c1ccon1 ZINC001576180907 949975174 /nfs/dbraw/zinc/97/51/74/949975174.db2.gz KCKNLSGCZJCZSP-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)c1ccon1 ZINC001576180907 949975188 /nfs/dbraw/zinc/97/51/88/949975188.db2.gz KCKNLSGCZJCZSP-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573830635 949977477 /nfs/dbraw/zinc/97/74/77/949977477.db2.gz MUHOXOUGRCOCJP-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573830635 949977493 /nfs/dbraw/zinc/97/74/93/949977493.db2.gz MUHOXOUGRCOCJP-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cnns1 ZINC001575890987 949977619 /nfs/dbraw/zinc/97/76/19/949977619.db2.gz CLZJURCOCQPWMS-BDAKNGLRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cnns1 ZINC001575890987 949977630 /nfs/dbraw/zinc/97/76/30/949977630.db2.gz CLZJURCOCQPWMS-BDAKNGLRSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnn1C ZINC001574148159 949978601 /nfs/dbraw/zinc/97/86/01/949978601.db2.gz LLZBOXQZPMJGQC-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnn1C ZINC001574148159 949978615 /nfs/dbraw/zinc/97/86/15/949978615.db2.gz LLZBOXQZPMJGQC-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575890981 949978638 /nfs/dbraw/zinc/97/86/38/949978638.db2.gz CJVOLJRGESIVKG-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575890981 949978662 /nfs/dbraw/zinc/97/86/62/949978662.db2.gz CJVOLJRGESIVKG-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001574148136 949978862 /nfs/dbraw/zinc/97/88/62/949978862.db2.gz LENUREOQOVOGBH-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001574148136 949978886 /nfs/dbraw/zinc/97/88/86/949978886.db2.gz LENUREOQOVOGBH-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CCCOC1 ZINC001575572576 949979697 /nfs/dbraw/zinc/97/96/97/949979697.db2.gz GSASIVGTPCMXNM-BDJLRTHQSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CCCOC1 ZINC001575572576 949979712 /nfs/dbraw/zinc/97/97/12/949979712.db2.gz GSASIVGTPCMXNM-BDJLRTHQSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576180973 949980942 /nfs/dbraw/zinc/98/09/42/949980942.db2.gz QSXWPUOTUZISMT-ZYHUDNBSSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576180973 949980962 /nfs/dbraw/zinc/98/09/62/949980962.db2.gz QSXWPUOTUZISMT-ZYHUDNBSSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576180971 949982629 /nfs/dbraw/zinc/98/26/29/949982629.db2.gz QSXWPUOTUZISMT-JQWIXIFHSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576180971 949982643 /nfs/dbraw/zinc/98/26/43/949982643.db2.gz QSXWPUOTUZISMT-JQWIXIFHSA-N -1 3 383.420 0.138 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573830722 949982965 /nfs/dbraw/zinc/98/29/65/949982965.db2.gz PMOVBIAQHVFBCU-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573830722 949982989 /nfs/dbraw/zinc/98/29/89/949982989.db2.gz PMOVBIAQHVFBCU-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CC(=O)N[C@@](C)(CNc1ncccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574490195 949985000 /nfs/dbraw/zinc/98/50/00/949985000.db2.gz OHYAQQLUBXLMSL-QGHHPUGFSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H](CC(=O)N[C@@](C)(CNc1ncccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574490195 949985019 /nfs/dbraw/zinc/98/50/19/949985019.db2.gz OHYAQQLUBXLMSL-QGHHPUGFSA-N -1 3 387.448 0.405 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574148725 949985814 /nfs/dbraw/zinc/98/58/14/949985814.db2.gz PCJCLQNYUDGOMS-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574148725 949985838 /nfs/dbraw/zinc/98/58/38/949985838.db2.gz PCJCLQNYUDGOMS-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@]1(C)CCOC1 ZINC001574148470 949987342 /nfs/dbraw/zinc/98/73/42/949987342.db2.gz NWBURONZZFSDLU-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CC(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574490221 949987536 /nfs/dbraw/zinc/98/75/36/949987536.db2.gz OWDJUQKPFGFSIR-LLVKDONJSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574490221 949987555 /nfs/dbraw/zinc/98/75/55/949987555.db2.gz OWDJUQKPFGFSIR-LLVKDONJSA-N -1 3 387.448 0.184 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@]1(C)CCOC1 ZINC001574148470 949987353 /nfs/dbraw/zinc/98/73/53/949987353.db2.gz NWBURONZZFSDLU-SCLBCKFNSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575891177 949987927 /nfs/dbraw/zinc/98/79/27/949987927.db2.gz GHKAIOOUANANII-GXSJLCMTSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575891177 949987943 /nfs/dbraw/zinc/98/79/43/949987943.db2.gz GHKAIOOUANANII-GXSJLCMTSA-N -1 3 382.384 0.328 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573831293 949990050 /nfs/dbraw/zinc/99/00/50/949990050.db2.gz SYCCDSQGHRWLRE-YPMHNXCESA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573831293 949990067 /nfs/dbraw/zinc/99/00/67/949990067.db2.gz SYCCDSQGHRWLRE-YPMHNXCESA-N -1 3 375.433 0.323 20 0 GCADHM C[C@]1(C(=O)NC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575573332 949991761 /nfs/dbraw/zinc/99/17/61/949991761.db2.gz LVWOUKGVEFHUPX-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCOC1 ZINC001575573332 949991779 /nfs/dbraw/zinc/99/17/79/949991779.db2.gz LVWOUKGVEFHUPX-KSSFIOAISA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncc[nH]2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576181253 949992040 /nfs/dbraw/zinc/99/20/40/949992040.db2.gz SIHGPQMKNPAXSE-GWCFXTLKSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncc[nH]2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576181253 949992056 /nfs/dbraw/zinc/99/20/56/949992056.db2.gz SIHGPQMKNPAXSE-GWCFXTLKSA-N -1 3 383.416 0.589 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1=COCCO1 ZINC001574148804 949995190 /nfs/dbraw/zinc/99/51/90/949995190.db2.gz QPEPIQRSGZIZEJ-GFCCVEGCSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1=COCCO1 ZINC001574148804 949995199 /nfs/dbraw/zinc/99/51/99/949995199.db2.gz QPEPIQRSGZIZEJ-GFCCVEGCSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574148834 949995627 /nfs/dbraw/zinc/99/56/27/949995627.db2.gz QZJACCOUOCLFSK-NEPJUHHUSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574148834 949995653 /nfs/dbraw/zinc/99/56/53/949995653.db2.gz QZJACCOUOCLFSK-NEPJUHHUSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC(C)(C)O ZINC001574148807 949995834 /nfs/dbraw/zinc/99/58/34/949995834.db2.gz QQBHQMCTVHWMJS-LBPRGKRZSA-N -1 3 377.449 0.617 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC(C)(C)O ZINC001574148807 949995854 /nfs/dbraw/zinc/99/58/54/949995854.db2.gz QQBHQMCTVHWMJS-LBPRGKRZSA-N -1 3 377.449 0.617 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574490446 949997692 /nfs/dbraw/zinc/99/76/92/949997692.db2.gz RWWVSRXCMBSIOU-UWVGGRQHSA-N -1 3 392.489 0.312 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001574974627 949998255 /nfs/dbraw/zinc/99/82/55/949998255.db2.gz BXXUPQIEQKRZAH-ONGXEEELSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001575891316 949998716 /nfs/dbraw/zinc/99/87/16/949998716.db2.gz HXBLUELQYKKIRA-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001575891316 949998731 /nfs/dbraw/zinc/99/87/31/949998731.db2.gz HXBLUELQYKKIRA-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001574974691 949999059 /nfs/dbraw/zinc/99/90/59/949999059.db2.gz RWCBWKYDSKCLBU-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001574974691 949999074 /nfs/dbraw/zinc/99/90/74/949999074.db2.gz RWCBWKYDSKCLBU-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576181355 950000151 /nfs/dbraw/zinc/00/01/51/950000151.db2.gz HSBSGHBYNMCOMT-YPMHNXCESA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576181355 950000170 /nfs/dbraw/zinc/00/01/70/950000170.db2.gz HSBSGHBYNMCOMT-YPMHNXCESA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)C1=COCCC1 ZINC001575891300 950001865 /nfs/dbraw/zinc/00/18/65/950001865.db2.gz HROWEIZLXIQSFC-DGCLKSJQSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)C1=COCCC1 ZINC001575891300 950001886 /nfs/dbraw/zinc/00/18/86/950001886.db2.gz HROWEIZLXIQSFC-DGCLKSJQSA-N -1 3 385.428 0.998 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccn(C)n1 ZINC001574149204 950003341 /nfs/dbraw/zinc/00/33/41/950003341.db2.gz VBKGCKLJOGXBBF-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccn(C)n1 ZINC001574149204 950003359 /nfs/dbraw/zinc/00/33/59/950003359.db2.gz VBKGCKLJOGXBBF-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@H](NC(=O)Cc1c[nH]cn1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575289849 950004398 /nfs/dbraw/zinc/00/43/98/950004398.db2.gz CJUYVBXNYDERPV-GXTWGEPZSA-N -1 3 381.444 0.949 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574974833 950005134 /nfs/dbraw/zinc/00/51/34/950005134.db2.gz BYYRAFOJJRVQDS-LLVKDONJSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C(C)(C)C1CCOCC1 ZINC001574974833 950005159 /nfs/dbraw/zinc/00/51/59/950005159.db2.gz BYYRAFOJJRVQDS-LLVKDONJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)CC1(O)CCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574149180 950006212 /nfs/dbraw/zinc/00/62/12/950006212.db2.gz UMOHXOLMPMKEKA-LBPRGKRZSA-N -1 3 389.460 0.761 20 0 GCADHM 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386.460 0.509 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573835741 950061211 /nfs/dbraw/zinc/06/12/11/950061211.db2.gz BCVIWDJWKOJIMY-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001573835691 950062031 /nfs/dbraw/zinc/06/20/31/950062031.db2.gz ADLFXRPWCXIJKE-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001573835691 950062046 /nfs/dbraw/zinc/06/20/46/950062046.db2.gz ADLFXRPWCXIJKE-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccncn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151149 950062293 /nfs/dbraw/zinc/06/22/93/950062293.db2.gz MASVSDAPVGOTDV-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccncn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151149 950062306 /nfs/dbraw/zinc/06/23/06/950062306.db2.gz MASVSDAPVGOTDV-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575892280 950062742 /nfs/dbraw/zinc/06/27/42/950062742.db2.gz VGBUWBPLZQWGDY-AAEUAGOBSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575892280 950062761 /nfs/dbraw/zinc/06/27/61/950062761.db2.gz VGBUWBPLZQWGDY-AAEUAGOBSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574492085 950063154 /nfs/dbraw/zinc/06/31/54/950063154.db2.gz JBKQCGHAHDWQAN-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001574492206 950066229 /nfs/dbraw/zinc/06/62/29/950066229.db2.gz LALOMBREQNGODP-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001574492206 950066249 /nfs/dbraw/zinc/06/62/49/950066249.db2.gz LALOMBREQNGODP-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](CN(C)C(=O)Cn1cncn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574732070 950066133 /nfs/dbraw/zinc/06/61/33/950066133.db2.gz FUTSMPHNRLJHRZ-SECBINFHSA-N -1 3 376.812 0.466 20 0 GCADHM C[C@H](CN(C)C(=O)Cn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574732070 950066153 /nfs/dbraw/zinc/06/61/53/950066153.db2.gz FUTSMPHNRLJHRZ-SECBINFHSA-N -1 3 376.812 0.466 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182879 950069371 /nfs/dbraw/zinc/06/93/71/950069371.db2.gz NUZAIVABCHYYMF-NEPJUHHUSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182879 950069390 /nfs/dbraw/zinc/06/93/90/950069390.db2.gz NUZAIVABCHYYMF-NEPJUHHUSA-N -1 3 382.432 0.519 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574732565 950073752 /nfs/dbraw/zinc/07/37/52/950073752.db2.gz KDFJYIWFMKDRNN-LLVKDONJSA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574732565 950073769 /nfs/dbraw/zinc/07/37/69/950073769.db2.gz KDFJYIWFMKDRNN-LLVKDONJSA-N -1 3 385.436 0.331 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nsc(N(C)C)n1 ZINC001574976369 950075181 /nfs/dbraw/zinc/07/51/81/950075181.db2.gz RHTKDDKSNUQIKW-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nsc(N(C)C)n1 ZINC001574976369 950075197 /nfs/dbraw/zinc/07/51/97/950075197.db2.gz RHTKDDKSNUQIKW-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574492316 950075612 /nfs/dbraw/zinc/07/56/12/950075612.db2.gz LZRXTLNUKCEPJL-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574492316 950075636 /nfs/dbraw/zinc/07/56/36/950075636.db2.gz LZRXTLNUKCEPJL-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574732567 950076526 /nfs/dbraw/zinc/07/65/26/950076526.db2.gz KDFJYIWFMKDRNN-NSHDSACASA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574732567 950076548 /nfs/dbraw/zinc/07/65/48/950076548.db2.gz KDFJYIWFMKDRNN-NSHDSACASA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573836429 950081625 /nfs/dbraw/zinc/08/16/25/950081625.db2.gz KQKCEUOSHULZJV-HAQNSBGRSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573836429 950081645 /nfs/dbraw/zinc/08/16/45/950081645.db2.gz KQKCEUOSHULZJV-HAQNSBGRSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573836430 950082599 /nfs/dbraw/zinc/08/25/99/950082599.db2.gz KQKCEUOSHULZJV-TXEJJXNPSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573836430 950082619 /nfs/dbraw/zinc/08/26/19/950082619.db2.gz KQKCEUOSHULZJV-TXEJJXNPSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574976504 950082488 /nfs/dbraw/zinc/08/24/88/950082488.db2.gz UMOSOFAASJGPFG-MWLCHTKSSA-N -1 3 383.416 0.273 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573836439 950083344 /nfs/dbraw/zinc/08/33/44/950083344.db2.gz LAJVAXYCOQITML-KRWDZBQOSA-N -1 3 377.424 0.894 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573836439 950083363 /nfs/dbraw/zinc/08/33/63/950083363.db2.gz LAJVAXYCOQITML-KRWDZBQOSA-N -1 3 377.424 0.894 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncn2C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575893459 950085953 /nfs/dbraw/zinc/08/59/53/950085953.db2.gz AAPZNVGSOCBJPY-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncn2C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575893459 950085976 /nfs/dbraw/zinc/08/59/76/950085976.db2.gz AAPZNVGSOCBJPY-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2Cl)CCOC1 ZINC001575577934 950089811 /nfs/dbraw/zinc/08/98/11/950089811.db2.gz YQASEDMWHVJLQV-BMIGLBTASA-N -1 3 381.824 0.231 20 0 GCADHM C[C@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2Cl)CCOC1 ZINC001575577934 950089831 /nfs/dbraw/zinc/08/98/31/950089831.db2.gz YQASEDMWHVJLQV-BMIGLBTASA-N -1 3 381.824 0.231 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574492598 950091561 /nfs/dbraw/zinc/09/15/61/950091561.db2.gz BRWSGBNQIGXBCV-AAEUAGOBSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001574492598 950091584 /nfs/dbraw/zinc/09/15/84/950091584.db2.gz BRWSGBNQIGXBCV-AAEUAGOBSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575893659 950092193 /nfs/dbraw/zinc/09/21/93/950092193.db2.gz BKPVIGBINTUQQN-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575893659 950092210 /nfs/dbraw/zinc/09/22/10/950092210.db2.gz BKPVIGBINTUQQN-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574733010 950093258 /nfs/dbraw/zinc/09/32/58/950093258.db2.gz PQDFBOINOUEDRC-LURJTMIESA-N -1 3 382.841 0.596 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573836876 950096763 /nfs/dbraw/zinc/09/67/63/950096763.db2.gz TZXQFVNRWJAWMS-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573836876 950096785 /nfs/dbraw/zinc/09/67/85/950096785.db2.gz TZXQFVNRWJAWMS-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574492686 950099148 /nfs/dbraw/zinc/09/91/48/950099148.db2.gz OMYUWLDECDDXGI-VXGBXAGGSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574492686 950099168 /nfs/dbraw/zinc/09/91/68/950099168.db2.gz OMYUWLDECDDXGI-VXGBXAGGSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)c1cnco1 ZINC001576183695 950100718 /nfs/dbraw/zinc/10/07/18/950100718.db2.gz SPGHDTBUIOPTSB-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1cnco1 ZINC001576183695 950100736 /nfs/dbraw/zinc/10/07/36/950100736.db2.gz SPGHDTBUIOPTSB-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574976829 950100898 /nfs/dbraw/zinc/10/08/98/950100898.db2.gz BSKOFPJCOGTFTH-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574976829 950100910 /nfs/dbraw/zinc/10/09/10/950100910.db2.gz BSKOFPJCOGTFTH-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575582047 950100980 /nfs/dbraw/zinc/10/09/80/950100980.db2.gz CNAUXIJCFFZARB-QGZVFWFLSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575582047 950100995 /nfs/dbraw/zinc/10/09/95/950100995.db2.gz CNAUXIJCFFZARB-QGZVFWFLSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575894408 950102468 /nfs/dbraw/zinc/10/24/68/950102468.db2.gz DOQDPIXCXYQITE-QMTHXVAHSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575894408 950102477 /nfs/dbraw/zinc/10/24/77/950102477.db2.gz DOQDPIXCXYQITE-QMTHXVAHSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575894446 950102862 /nfs/dbraw/zinc/10/28/62/950102862.db2.gz DQGGCVXFTGIBHE-ZWNOBZJWSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575894446 950102869 /nfs/dbraw/zinc/10/28/69/950102869.db2.gz DQGGCVXFTGIBHE-ZWNOBZJWSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CCC2)CCNC(=O)C1 ZINC001575582119 950104725 /nfs/dbraw/zinc/10/47/25/950104725.db2.gz FTBPQFJRNMAGNJ-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CCC2)CCNC(=O)C1 ZINC001575582119 950104737 /nfs/dbraw/zinc/10/47/37/950104737.db2.gz FTBPQFJRNMAGNJ-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1scnc1Cl ZINC001574976856 950105231 /nfs/dbraw/zinc/10/52/31/950105231.db2.gz CDHPNVOIGDDUHD-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1scnc1Cl ZINC001574976856 950105241 /nfs/dbraw/zinc/10/52/41/950105241.db2.gz CDHPNVOIGDDUHD-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574733248 950105510 /nfs/dbraw/zinc/10/55/10/950105510.db2.gz WWVZOFNRTHSYRF-CABZTGNLSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574733248 950105520 /nfs/dbraw/zinc/10/55/20/950105520.db2.gz WWVZOFNRTHSYRF-CABZTGNLSA-N -1 3 376.396 0.280 20 0 GCADHM 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JTZMGNICUUZFTO-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574493168 950117780 /nfs/dbraw/zinc/11/77/80/950117780.db2.gz FACIKJZUPCRSIH-WCQYABFASA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574493168 950117795 /nfs/dbraw/zinc/11/77/95/950117795.db2.gz FACIKJZUPCRSIH-WCQYABFASA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576184266 950119175 /nfs/dbraw/zinc/11/91/75/950119175.db2.gz VOMFWUCEXBUVQQ-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576184266 950119192 /nfs/dbraw/zinc/11/91/92/950119192.db2.gz VOMFWUCEXBUVQQ-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM CC(C)C[C@H](CNCc1csnn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574152843 950121402 /nfs/dbraw/zinc/12/14/02/950121402.db2.gz KMFYMGUAAHZQML-LLVKDONJSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)C[C@H](CNCc1csnn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574152843 950121412 /nfs/dbraw/zinc/12/14/12/950121412.db2.gz KMFYMGUAAHZQML-LLVKDONJSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575896115 950122923 /nfs/dbraw/zinc/12/29/23/950122923.db2.gz KBNVHZPQAQMWHT-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575896115 950122944 /nfs/dbraw/zinc/12/29/44/950122944.db2.gz KBNVHZPQAQMWHT-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnns2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896151 950124462 /nfs/dbraw/zinc/12/44/62/950124462.db2.gz KQKBJTCFCHKKOM-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnns2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896151 950124473 /nfs/dbraw/zinc/12/44/73/950124473.db2.gz KQKBJTCFCHKKOM-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001576184309 950125084 /nfs/dbraw/zinc/12/50/84/950125084.db2.gz VVYQPZHRZHJQAR-GXFFZTMASA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001576184309 950125095 /nfs/dbraw/zinc/12/50/95/950125095.db2.gz VVYQPZHRZHJQAR-GXFFZTMASA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1nc(Cl)cs1 ZINC001574977659 950125892 /nfs/dbraw/zinc/12/58/92/950125892.db2.gz NDYHJPROLRTVNM-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1nc(Cl)cs1 ZINC001574977659 950125902 /nfs/dbraw/zinc/12/59/02/950125902.db2.gz NDYHJPROLRTVNM-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573839193 950126193 /nfs/dbraw/zinc/12/61/93/950126193.db2.gz OZBNDNPJIVWYND-LBPRGKRZSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573839193 950126206 /nfs/dbraw/zinc/12/62/06/950126206.db2.gz OZBNDNPJIVWYND-LBPRGKRZSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1nc(Cl)cs1 ZINC001574977657 950126466 /nfs/dbraw/zinc/12/64/66/950126466.db2.gz NDYHJPROLRTVNM-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1nc(Cl)cs1 ZINC001574977657 950126478 /nfs/dbraw/zinc/12/64/78/950126478.db2.gz NDYHJPROLRTVNM-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574493386 950126414 /nfs/dbraw/zinc/12/64/14/950126414.db2.gz GHBGYFOSIPOQFW-BXUZGUMPSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574493386 950126424 /nfs/dbraw/zinc/12/64/24/950126424.db2.gz GHBGYFOSIPOQFW-BXUZGUMPSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncnc2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575896282 950127594 /nfs/dbraw/zinc/12/75/94/950127594.db2.gz LSTRUSDQWHFIAB-HZMBPMFUSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncnc2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575896282 950127609 /nfs/dbraw/zinc/12/76/09/950127609.db2.gz LSTRUSDQWHFIAB-HZMBPMFUSA-N -1 3 383.391 0.978 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCn1ccnn1 ZINC001574153095 950127806 /nfs/dbraw/zinc/12/78/06/950127806.db2.gz MNWMETOAKMUHQN-CQSZACIVSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCn1ccnn1 ZINC001574153095 950127823 /nfs/dbraw/zinc/12/78/23/950127823.db2.gz MNWMETOAKMUHQN-CQSZACIVSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573839348 950128408 /nfs/dbraw/zinc/12/84/08/950128408.db2.gz RPOZWRLCCVNULT-LBPRGKRZSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573839348 950128420 /nfs/dbraw/zinc/12/84/20/950128420.db2.gz RPOZWRLCCVNULT-LBPRGKRZSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncnc2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896717 950131059 /nfs/dbraw/zinc/13/10/59/950131059.db2.gz MVHLEWUUZZDPGG-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896717 950131067 /nfs/dbraw/zinc/13/10/67/950131067.db2.gz MVHLEWUUZZDPGG-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1ccsc1 ZINC001574978330 950132787 /nfs/dbraw/zinc/13/27/87/950132787.db2.gz RIJFDVDYUJISMG-SECBINFHSA-N -1 3 375.414 0.570 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1ccsc1 ZINC001574978330 950132802 /nfs/dbraw/zinc/13/28/02/950132802.db2.gz RIJFDVDYUJISMG-SECBINFHSA-N -1 3 375.414 0.570 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574978395 950137620 /nfs/dbraw/zinc/13/76/20/950137620.db2.gz SOGSNCXJNDZOOF-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574978395 950137636 /nfs/dbraw/zinc/13/76/36/950137636.db2.gz SOGSNCXJNDZOOF-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574153281 950137790 /nfs/dbraw/zinc/13/77/90/950137790.db2.gz QXTIXZNCPCGZMF-KGLIPLIRSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574153281 950137797 /nfs/dbraw/zinc/13/77/97/950137797.db2.gz QXTIXZNCPCGZMF-KGLIPLIRSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574978394 950138457 /nfs/dbraw/zinc/13/84/57/950138457.db2.gz SOGSNCXJNDZOOF-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001574978394 950138473 /nfs/dbraw/zinc/13/84/73/950138473.db2.gz SOGSNCXJNDZOOF-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574734692 950138560 /nfs/dbraw/zinc/13/85/60/950138560.db2.gz ODFKBEBIWXEGJC-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574734692 950138567 /nfs/dbraw/zinc/13/85/67/950138567.db2.gz ODFKBEBIWXEGJC-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184868 950140837 /nfs/dbraw/zinc/14/08/37/950140837.db2.gz XIYXZBZAFNSLHR-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184868 950140850 /nfs/dbraw/zinc/14/08/50/950140850.db2.gz XIYXZBZAFNSLHR-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575897647 950144692 /nfs/dbraw/zinc/14/46/92/950144692.db2.gz PMCRBDJEFLWCGT-CMPLNLGQSA-N -1 3 383.416 0.488 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1COCCO1 ZINC001574153354 950145247 /nfs/dbraw/zinc/14/52/47/950145247.db2.gz SHOMVSFDVBSSIR-UKRRQHHQSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1COCCO1 ZINC001574153354 950145267 /nfs/dbraw/zinc/14/52/67/950145267.db2.gz SHOMVSFDVBSSIR-UKRRQHHQSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575897708 950146130 /nfs/dbraw/zinc/14/61/30/950146130.db2.gz QHWIXHSVKAKSQC-GXFFZTMASA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575897708 950146150 /nfs/dbraw/zinc/14/61/50/950146150.db2.gz QHWIXHSVKAKSQC-GXFFZTMASA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cccc(F)c1F ZINC001574979094 950147028 /nfs/dbraw/zinc/14/70/28/950147028.db2.gz WBJUHVSMILAKAX-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cccc(F)c1F ZINC001574979094 950147046 /nfs/dbraw/zinc/14/70/46/950147046.db2.gz WBJUHVSMILAKAX-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnccn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575898125 950148354 /nfs/dbraw/zinc/14/83/54/950148354.db2.gz QLFXGJKPJAIWPW-MNOVXSKESA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnccn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575898125 950148367 /nfs/dbraw/zinc/14/83/67/950148367.db2.gz QLFXGJKPJAIWPW-MNOVXSKESA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnccn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575898123 950149165 /nfs/dbraw/zinc/14/91/65/950149165.db2.gz QLFXGJKPJAIWPW-GHMZBOCLSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnccn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575898123 950149174 /nfs/dbraw/zinc/14/91/74/950149174.db2.gz QLFXGJKPJAIWPW-GHMZBOCLSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575583689 950150992 /nfs/dbraw/zinc/15/09/92/950150992.db2.gz TZMOHZMLTKQOHX-QGZVFWFLSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575583689 950151007 /nfs/dbraw/zinc/15/10/07/950151007.db2.gz TZMOHZMLTKQOHX-QGZVFWFLSA-N -1 3 390.419 0.095 20 0 GCADHM CC(C)(C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573842621 950153287 /nfs/dbraw/zinc/15/32/87/950153287.db2.gz JEUFYPDUULAEBU-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573842621 950153297 /nfs/dbraw/zinc/15/32/97/950153297.db2.gz JEUFYPDUULAEBU-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573842590 950153454 /nfs/dbraw/zinc/15/34/54/950153454.db2.gz IFBYQCIEUPCNIW-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573842590 950153466 /nfs/dbraw/zinc/15/34/66/950153466.db2.gz IFBYQCIEUPCNIW-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574979408 950157275 /nfs/dbraw/zinc/15/72/75/950157275.db2.gz ZCDLUQAFLUTVIN-SECBINFHSA-N -1 3 383.416 0.345 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576185128 950159409 /nfs/dbraw/zinc/15/94/09/950159409.db2.gz ZNFKEENCXOWULW-BXUZGUMPSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576185128 950159424 /nfs/dbraw/zinc/15/94/24/950159424.db2.gz ZNFKEENCXOWULW-BXUZGUMPSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576185146 950160105 /nfs/dbraw/zinc/16/01/05/950160105.db2.gz ZRUBLCUCCSRKKD-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576185146 950160116 /nfs/dbraw/zinc/16/01/16/950160116.db2.gz ZRUBLCUCCSRKKD-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001574154034 950160709 /nfs/dbraw/zinc/16/07/09/950160709.db2.gz ZUQCNIWMMOHFRL-KBPBESRZSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001574154034 950160728 /nfs/dbraw/zinc/16/07/28/950160728.db2.gz ZUQCNIWMMOHFRL-KBPBESRZSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1ccnc1 ZINC001574494306 950160994 /nfs/dbraw/zinc/16/09/94/950160994.db2.gz KASNPSALOHPOMZ-NEPJUHHUSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1ccnc1 ZINC001574494306 950161003 /nfs/dbraw/zinc/16/10/03/950161003.db2.gz KASNPSALOHPOMZ-NEPJUHHUSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575898851 950161674 /nfs/dbraw/zinc/16/16/74/950161674.db2.gz VDPWDQOWUGEOCX-MFKMUULPSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)c2N)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575898851 950161688 /nfs/dbraw/zinc/16/16/88/950161688.db2.gz VDPWDQOWUGEOCX-MFKMUULPSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1ccnc1 ZINC001574494309 950162181 /nfs/dbraw/zinc/16/21/81/950162181.db2.gz KASNPSALOHPOMZ-VXGBXAGGSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1ccnc1 ZINC001574494309 950162194 /nfs/dbraw/zinc/16/21/94/950162194.db2.gz KASNPSALOHPOMZ-VXGBXAGGSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575898816 950162428 /nfs/dbraw/zinc/16/24/28/950162428.db2.gz UZMFBNQAAOOIBO-NOZJJQNGSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575898816 950162442 /nfs/dbraw/zinc/16/24/42/950162442.db2.gz UZMFBNQAAOOIBO-NOZJJQNGSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)N[C@H](C)c1nnnn1C1CC1 ZINC001574738024 950162413 /nfs/dbraw/zinc/16/24/13/950162413.db2.gz BESWEKPBIKCLOJ-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574982401 950162473 /nfs/dbraw/zinc/16/24/73/950162473.db2.gz BSJLPDCSRMMMMF-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574982401 950162482 /nfs/dbraw/zinc/16/24/82/950162482.db2.gz BSJLPDCSRMMMMF-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM CC(C)(C)CCC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573843170 950163880 /nfs/dbraw/zinc/16/38/80/950163880.db2.gz QQFKRIYMRVJMEM-UHFFFAOYSA-N -1 3 377.449 0.572 20 0 GCADHM CC(C)(C)CCC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573843170 950163896 /nfs/dbraw/zinc/16/38/96/950163896.db2.gz QQFKRIYMRVJMEM-UHFFFAOYSA-N -1 3 377.449 0.572 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCC1 ZINC001575584236 950164760 /nfs/dbraw/zinc/16/47/60/950164760.db2.gz XDINKGCIXOKOIK-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCC1 ZINC001575584236 950164772 /nfs/dbraw/zinc/16/47/72/950164772.db2.gz XDINKGCIXOKOIK-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494486 950164942 /nfs/dbraw/zinc/16/49/42/950164942.db2.gz ZOZKBXZEFWJQAS-ZWNOBZJWSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001574982457 950168576 /nfs/dbraw/zinc/16/85/76/950168576.db2.gz CUOROKZTHZSBOJ-KSSFIOAISA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001574982457 950168589 /nfs/dbraw/zinc/16/85/89/950168589.db2.gz CUOROKZTHZSBOJ-KSSFIOAISA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H](C)c1ccnn1C ZINC001574982441 950168916 /nfs/dbraw/zinc/16/89/16/950168916.db2.gz CNAPOVHRWKMWIX-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H](C)c1ccnn1C ZINC001574982441 950168933 /nfs/dbraw/zinc/16/89/33/950168933.db2.gz CNAPOVHRWKMWIX-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576190822 950170845 /nfs/dbraw/zinc/17/08/45/950170845.db2.gz CAHMSWPYEWZISE-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576190822 950170867 /nfs/dbraw/zinc/17/08/67/950170867.db2.gz CAHMSWPYEWZISE-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc(Cl)n1C ZINC001574738470 950171878 /nfs/dbraw/zinc/17/18/78/950171878.db2.gz FNZYDAUOMDUXRW-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc(Cl)n1C ZINC001574738470 950171888 /nfs/dbraw/zinc/17/18/88/950171888.db2.gz FNZYDAUOMDUXRW-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1c[nH]cn1 ZINC001574154697 950174689 /nfs/dbraw/zinc/17/46/89/950174689.db2.gz GCPQKUFNWPVSKV-ZDUSSCGKSA-N -1 3 384.448 0.955 20 0 GCADHM C[C@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C[C@@H]1O ZINC001576190958 950174864 /nfs/dbraw/zinc/17/48/64/950174864.db2.gz FAFBSXYZQWRUMA-WFASDCNBSA-N -1 3 386.460 0.643 20 0 GCADHM C[C@H]1CCN(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C[C@@H]1O ZINC001576190958 950174878 /nfs/dbraw/zinc/17/48/78/950174878.db2.gz FAFBSXYZQWRUMA-WFASDCNBSA-N -1 3 386.460 0.643 20 0 GCADHM CC(C)C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)c1nnn(C)n1 ZINC001574154543 950175585 /nfs/dbraw/zinc/17/55/85/950175585.db2.gz FHDJHTZNPVVYQJ-SNVBAGLBSA-N -1 3 388.411 0.786 20 0 GCADHM CC(C)C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)c1nnn(C)n1 ZINC001574154543 950175590 /nfs/dbraw/zinc/17/55/90/950175590.db2.gz FHDJHTZNPVVYQJ-SNVBAGLBSA-N -1 3 388.411 0.786 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573843424 950177257 /nfs/dbraw/zinc/17/72/57/950177257.db2.gz XQSKCCWFTYKUEU-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573843424 950177270 /nfs/dbraw/zinc/17/72/70/950177270.db2.gz XQSKCCWFTYKUEU-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ccncc1)C1CC1 ZINC001574982721 950178268 /nfs/dbraw/zinc/17/82/68/950178268.db2.gz GXHMFKHTWKBPMY-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ccncc1)C1CC1 ZINC001574982721 950178279 /nfs/dbraw/zinc/17/82/79/950178279.db2.gz GXHMFKHTWKBPMY-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnco2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576191040 950179527 /nfs/dbraw/zinc/17/95/27/950179527.db2.gz DBJZABAERVUIOP-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnco2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576191040 950179543 /nfs/dbraw/zinc/17/95/43/950179543.db2.gz DBJZABAERVUIOP-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575584813 950182750 /nfs/dbraw/zinc/18/27/50/950182750.db2.gz TUEZTWIFQPZKNV-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575584813 950182764 /nfs/dbraw/zinc/18/27/64/950182764.db2.gz TUEZTWIFQPZKNV-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573844071 950183198 /nfs/dbraw/zinc/18/31/98/950183198.db2.gz AAUQXGPIBMDCJX-LBPRGKRZSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573844071 950183215 /nfs/dbraw/zinc/18/32/15/950183215.db2.gz AAUQXGPIBMDCJX-LBPRGKRZSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575584961 950183976 /nfs/dbraw/zinc/18/39/76/950183976.db2.gz ULOYVLJOJKDHPT-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575584961 950183995 /nfs/dbraw/zinc/18/39/95/950183995.db2.gz ULOYVLJOJKDHPT-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnc(C2CCC2)n1C ZINC001574982757 950185151 /nfs/dbraw/zinc/18/51/51/950185151.db2.gz GLLJIBAYNXHABX-JTQLQIEISA-N -1 3 384.448 0.499 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ncccn2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575900052 950187102 /nfs/dbraw/zinc/18/71/02/950187102.db2.gz BMMSWOZDVUJYGA-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ncccn2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575900052 950187119 /nfs/dbraw/zinc/18/71/19/950187119.db2.gz BMMSWOZDVUJYGA-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CCCOCC1 ZINC001574982839 950187808 /nfs/dbraw/zinc/18/78/08/950187808.db2.gz HBSXYCSMTABQCH-NEPJUHHUSA-N -1 3 375.433 0.494 20 0 GCADHM 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ZINC001574982980 950193264 /nfs/dbraw/zinc/19/32/64/950193264.db2.gz IPHAAQJTLGANPK-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ccnnc1)C1CC1 ZINC001574982980 950193277 /nfs/dbraw/zinc/19/32/77/950193277.db2.gz IPHAAQJTLGANPK-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCCN1C ZINC001574155460 950194341 /nfs/dbraw/zinc/19/43/41/950194341.db2.gz LPACYMPOLLNASR-UONOGXRCSA-N -1 3 387.492 0.506 20 0 GCADHM CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCCN1C ZINC001574155460 950194361 /nfs/dbraw/zinc/19/43/61/950194361.db2.gz LPACYMPOLLNASR-UONOGXRCSA-N -1 3 387.492 0.506 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)CCCC1 ZINC001575585575 950197378 /nfs/dbraw/zinc/19/73/78/950197378.db2.gz AWASKODCIPWLKM-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)CCCC1 ZINC001575585575 950197389 /nfs/dbraw/zinc/19/73/89/950197389.db2.gz AWASKODCIPWLKM-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573844522 950198016 /nfs/dbraw/zinc/19/80/16/950198016.db2.gz AUBGZJHPYMDYKU-CYZMBNFOSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573844522 950198041 /nfs/dbraw/zinc/19/80/41/950198041.db2.gz AUBGZJHPYMDYKU-CYZMBNFOSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575900333 950199706 /nfs/dbraw/zinc/19/97/06/950199706.db2.gz DWTJKOJZGSWYGL-PWSUYJOCSA-N -1 3 387.473 0.840 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1csnn1)C1CC1 ZINC001574983141 950202763 /nfs/dbraw/zinc/20/27/63/950202763.db2.gz KLKKGQSITYNFMS-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1csnn1)C1CC1 ZINC001574983141 950202783 /nfs/dbraw/zinc/20/27/83/950202783.db2.gz KLKKGQSITYNFMS-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@H](CNC(=O)c1ccc(Cl)[nH]1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574983177 950203587 /nfs/dbraw/zinc/20/35/87/950203587.db2.gz LSFRYXDECGDQJQ-MRVPVSSYSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@H](CNC(=O)c1ccc(Cl)[nH]1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983177 950203604 /nfs/dbraw/zinc/20/36/04/950203604.db2.gz LSFRYXDECGDQJQ-MRVPVSSYSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900522 950204047 /nfs/dbraw/zinc/20/40/47/950204047.db2.gz GSPVQVOMQAQOTC-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900522 950204067 /nfs/dbraw/zinc/20/40/67/950204067.db2.gz GSPVQVOMQAQOTC-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(Cl)[nH]1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574983178 950207282 /nfs/dbraw/zinc/20/72/82/950207282.db2.gz LSFRYXDECGDQJQ-QMMMGPOBSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(Cl)[nH]1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983178 950207298 /nfs/dbraw/zinc/20/72/98/950207298.db2.gz LSFRYXDECGDQJQ-QMMMGPOBSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNC(=O)c1cnco1 ZINC001576191926 950211890 /nfs/dbraw/zinc/21/18/90/950211890.db2.gz KTXHWOMAZDCCRG-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNC(=O)c1cnco1 ZINC001576191926 950211905 /nfs/dbraw/zinc/21/19/05/950211905.db2.gz KTXHWOMAZDCCRG-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574983336 950212477 /nfs/dbraw/zinc/21/24/77/950212477.db2.gz NBLPZMNPTULTGE-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574983336 950212495 /nfs/dbraw/zinc/21/24/95/950212495.db2.gz NBLPZMNPTULTGE-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574496117 950213887 /nfs/dbraw/zinc/21/38/87/950213887.db2.gz VWMSIRKMZCJTAA-ZYHUDNBSSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574496117 950213904 /nfs/dbraw/zinc/21/39/04/950213904.db2.gz VWMSIRKMZCJTAA-ZYHUDNBSSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574739972 950216282 /nfs/dbraw/zinc/21/62/82/950216282.db2.gz AMCVQZWBKZLEJQ-RYUDHWBXSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574739972 950216307 /nfs/dbraw/zinc/21/63/07/950216307.db2.gz AMCVQZWBKZLEJQ-RYUDHWBXSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001574497051 950221725 /nfs/dbraw/zinc/22/17/25/950221725.db2.gz YPXNTACDRJRUKK-JQWIXIFHSA-N -1 3 387.400 0.189 20 0 GCADHM 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ZINC001574983606 950226887 /nfs/dbraw/zinc/22/68/87/950226887.db2.gz QFRNLFWRVIODRW-VIFPVBQESA-N -1 3 383.416 0.203 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ncccn1 ZINC001574740720 950228094 /nfs/dbraw/zinc/22/80/94/950228094.db2.gz FJLWVMPPHLEPAG-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ncccn1 ZINC001574740720 950228115 /nfs/dbraw/zinc/22/81/15/950228115.db2.gz FJLWVMPPHLEPAG-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573845333 950228167 /nfs/dbraw/zinc/22/81/67/950228167.db2.gz XAQUDXCGQOSBOL-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573845333 950228188 /nfs/dbraw/zinc/22/81/88/950228188.db2.gz XAQUDXCGQOSBOL-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574497297 950228923 /nfs/dbraw/zinc/22/89/23/950228923.db2.gz ZCRBPQRVPJDMDP-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574497297 950228939 /nfs/dbraw/zinc/22/89/39/950228939.db2.gz ZCRBPQRVPJDMDP-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573845568 950229376 /nfs/dbraw/zinc/22/93/76/950229376.db2.gz HHVCADFLRQAJOA-GOSISDBHSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573845568 950229393 /nfs/dbraw/zinc/22/93/93/950229393.db2.gz HHVCADFLRQAJOA-GOSISDBHSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1CCCCO1 ZINC001574740763 950234305 /nfs/dbraw/zinc/23/43/05/950234305.db2.gz GEESJLLRAFKRFE-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1CCCCO1 ZINC001574740763 950234326 /nfs/dbraw/zinc/23/43/26/950234326.db2.gz GEESJLLRAFKRFE-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576192248 950234422 /nfs/dbraw/zinc/23/44/22/950234422.db2.gz LDVIXSHYNKSNHT-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576192248 950234445 /nfs/dbraw/zinc/23/44/45/950234445.db2.gz LDVIXSHYNKSNHT-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001574983702 950234569 /nfs/dbraw/zinc/23/45/69/950234569.db2.gz RRRUIFFMLWHVQZ-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001574983702 950234587 /nfs/dbraw/zinc/23/45/87/950234587.db2.gz RRRUIFFMLWHVQZ-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575587658 950234971 /nfs/dbraw/zinc/23/49/71/950234971.db2.gz NLDXPSQBWZCZGC-KZULUSFZSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575587658 950234987 /nfs/dbraw/zinc/23/49/87/950234987.db2.gz NLDXPSQBWZCZGC-KZULUSFZSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H](C)n1ccnc1 ZINC001574741190 950234831 /nfs/dbraw/zinc/23/48/31/950234831.db2.gz HQQVVHZDRIUSGZ-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@@H](C)n1cccn1 ZINC001574741216 950237941 /nfs/dbraw/zinc/23/79/41/950237941.db2.gz IHVBTWMRVZYIHM-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H](C)n1cccn1 ZINC001574741216 950237959 /nfs/dbraw/zinc/23/79/59/950237959.db2.gz IHVBTWMRVZYIHM-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901621 950238821 /nfs/dbraw/zinc/23/88/21/950238821.db2.gz PBAQFJSDRDFRRN-VXNVDRBHSA-N -1 3 388.413 0.390 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575901838 950242452 /nfs/dbraw/zinc/24/24/52/950242452.db2.gz QOTGMAKZZNCGKF-CMPLNLGQSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575901838 950242478 /nfs/dbraw/zinc/24/24/78/950242478.db2.gz QOTGMAKZZNCGKF-CMPLNLGQSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576192452 950246264 /nfs/dbraw/zinc/24/62/64/950246264.db2.gz NEGWTIQUZOFIIK-ZYHUDNBSSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576192452 950246287 /nfs/dbraw/zinc/24/62/87/950246287.db2.gz NEGWTIQUZOFIIK-ZYHUDNBSSA-N -1 3 383.416 0.446 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573846593 950248562 /nfs/dbraw/zinc/24/85/62/950248562.db2.gz SYHHTQPXDXDECL-LBPRGKRZSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573846593 950248579 /nfs/dbraw/zinc/24/85/79/950248579.db2.gz SYHHTQPXDXDECL-LBPRGKRZSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575588763 950250648 /nfs/dbraw/zinc/25/06/48/950250648.db2.gz RTKDSXIACMTFMS-KZULUSFZSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575588763 950250671 /nfs/dbraw/zinc/25/06/71/950250671.db2.gz RTKDSXIACMTFMS-KZULUSFZSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1(F)CCOCC1 ZINC001574741568 950251539 /nfs/dbraw/zinc/25/15/39/950251539.db2.gz JHHNFPLIVHATFB-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1(F)CCOCC1 ZINC001574741568 950251556 /nfs/dbraw/zinc/25/15/56/950251556.db2.gz JHHNFPLIVHATFB-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573847009 950252898 /nfs/dbraw/zinc/25/28/98/950252898.db2.gz XFRIZPVUAGKLDW-SDDRHHMPSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573847009 950252918 /nfs/dbraw/zinc/25/29/18/950252918.db2.gz XFRIZPVUAGKLDW-SDDRHHMPSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cnoc1C1CC1 ZINC001574984055 950254543 /nfs/dbraw/zinc/25/45/43/950254543.db2.gz VXNAONZCOCTXLZ-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cnoc1C1CC1 ZINC001574984055 950254573 /nfs/dbraw/zinc/25/45/73/950254573.db2.gz VXNAONZCOCTXLZ-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574498025 950254823 /nfs/dbraw/zinc/25/48/23/950254823.db2.gz INYDCUVSKGUJDA-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574498025 950254841 /nfs/dbraw/zinc/25/48/41/950254841.db2.gz INYDCUVSKGUJDA-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)CCC(=O)NC1 ZINC001575589164 950254999 /nfs/dbraw/zinc/25/49/99/950254999.db2.gz VCOHEPZQMAFSND-APPDUMDISA-N -1 3 389.485 0.535 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)CCC(=O)NC1 ZINC001575589164 950255020 /nfs/dbraw/zinc/25/50/20/950255020.db2.gz VCOHEPZQMAFSND-APPDUMDISA-N -1 3 389.485 0.535 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573847055 950257719 /nfs/dbraw/zinc/25/77/19/950257719.db2.gz YVAITAYEGAWPHF-WCFLWFBJSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573847055 950257738 /nfs/dbraw/zinc/25/77/38/950257738.db2.gz YVAITAYEGAWPHF-WCFLWFBJSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCC1)NC(N)=O ZINC001574498034 950257955 /nfs/dbraw/zinc/25/79/55/950257955.db2.gz IQQLGLYUTRWWME-VIFPVBQESA-N -1 3 391.411 0.299 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCC1)NC(N)=O ZINC001574498034 950257976 /nfs/dbraw/zinc/25/79/76/950257976.db2.gz IQQLGLYUTRWWME-VIFPVBQESA-N -1 3 391.411 0.299 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575588824 950257850 /nfs/dbraw/zinc/25/78/50/950257850.db2.gz ULODDHJMLBCSMH-PIGZYNQJSA-N -1 3 375.408 0.770 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575588824 950257871 /nfs/dbraw/zinc/25/78/71/950257871.db2.gz ULODDHJMLBCSMH-PIGZYNQJSA-N -1 3 375.408 0.770 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COC1CCCC1 ZINC001574741831 950261076 /nfs/dbraw/zinc/26/10/76/950261076.db2.gz DURVCWCVKGCZJD-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COC1CCCC1 ZINC001574741831 950261095 /nfs/dbraw/zinc/26/10/95/950261095.db2.gz DURVCWCVKGCZJD-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCCO1 ZINC001574742059 950262014 /nfs/dbraw/zinc/26/20/14/950262014.db2.gz HAJASGBLRCGPJD-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCCO1 ZINC001574742059 950262032 /nfs/dbraw/zinc/26/20/32/950262032.db2.gz HAJASGBLRCGPJD-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001574984129 950262743 /nfs/dbraw/zinc/26/27/43/950262743.db2.gz XFRVTPDVQHOMFH-JTQLQIEISA-N -1 3 385.432 0.472 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C[C@@H](O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573849876 950263404 /nfs/dbraw/zinc/26/34/04/950263404.db2.gz DTRZFJUHLDMIKH-HUUCEWRRSA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C[C@@H](O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573849876 950263428 /nfs/dbraw/zinc/26/34/28/950263428.db2.gz DTRZFJUHLDMIKH-HUUCEWRRSA-N -1 3 375.429 0.943 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCCO1 ZINC001574742058 950263660 /nfs/dbraw/zinc/26/36/60/950263660.db2.gz HAJASGBLRCGPJD-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCCO1 ZINC001574742058 950263675 /nfs/dbraw/zinc/26/36/75/950263675.db2.gz HAJASGBLRCGPJD-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H]1CCN(C(=O)c2cocn2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576192853 950271532 /nfs/dbraw/zinc/27/15/32/950271532.db2.gz PZUKCVNGDNJBSR-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2cocn2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576192853 950271551 /nfs/dbraw/zinc/27/15/51/950271551.db2.gz PZUKCVNGDNJBSR-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575589968 950271704 /nfs/dbraw/zinc/27/17/04/950271704.db2.gz ZLBBLBZKTQMJOA-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575589968 950271718 /nfs/dbraw/zinc/27/17/18/950271718.db2.gz ZLBBLBZKTQMJOA-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)OCC1CC1 ZINC001574742180 950272468 /nfs/dbraw/zinc/27/24/68/950272468.db2.gz HLJJMJUDCOISJN-QWRGUYRKSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)OCC1CC1 ZINC001574742180 950272494 /nfs/dbraw/zinc/27/24/94/950272494.db2.gz HLJJMJUDCOISJN-QWRGUYRKSA-N -1 3 375.433 0.587 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575589940 950272614 /nfs/dbraw/zinc/27/26/14/950272614.db2.gz ZDDRLIAPLVVHIO-LBPRGKRZSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575589940 950272634 /nfs/dbraw/zinc/27/26/34/950272634.db2.gz ZDDRLIAPLVVHIO-LBPRGKRZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1ccnc1 ZINC001574498482 950273334 /nfs/dbraw/zinc/27/33/34/950273334.db2.gz ODTHYBMOXFCEEI-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1ccnc1 ZINC001574498482 950273351 /nfs/dbraw/zinc/27/33/51/950273351.db2.gz ODTHYBMOXFCEEI-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573850421 950275755 /nfs/dbraw/zinc/27/57/55/950275755.db2.gz JQQZQUPWOSQOIZ-LBPRGKRZSA-N -1 3 389.464 0.097 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573850421 950275777 /nfs/dbraw/zinc/27/57/77/950275777.db2.gz JQQZQUPWOSQOIZ-LBPRGKRZSA-N -1 3 389.464 0.097 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574984547 950275878 /nfs/dbraw/zinc/27/58/78/950275878.db2.gz YWLUYBBWQGXODD-QMMMGPOBSA-N -1 3 375.368 0.095 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574984547 950275896 /nfs/dbraw/zinc/27/58/96/950275896.db2.gz YWLUYBBWQGXODD-QMMMGPOBSA-N -1 3 375.368 0.095 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@H]1CCCO1 ZINC001574742318 950280308 /nfs/dbraw/zinc/28/03/08/950280308.db2.gz OHBMXWSDTQAFHD-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@H]1CCCO1 ZINC001574742318 950280326 /nfs/dbraw/zinc/28/03/26/950280326.db2.gz OHBMXWSDTQAFHD-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@H]1CCCO1 ZINC001574498655 950280569 /nfs/dbraw/zinc/28/05/69/950280569.db2.gz PDNAEDHBPAEHOR-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@H]1CCCO1 ZINC001574498655 950280589 /nfs/dbraw/zinc/28/05/89/950280589.db2.gz PDNAEDHBPAEHOR-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001574987211 950281642 /nfs/dbraw/zinc/28/16/42/950281642.db2.gz ALJZPBNOLHAQQR-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001574987211 950281664 /nfs/dbraw/zinc/28/16/64/950281664.db2.gz ALJZPBNOLHAQQR-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1conc1C1CC1 ZINC001574987195 950281711 /nfs/dbraw/zinc/28/17/11/950281711.db2.gz AGEKFIAFTSUEDH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1conc1C1CC1 ZINC001574987195 950281741 /nfs/dbraw/zinc/28/17/41/950281741.db2.gz AGEKFIAFTSUEDH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3-c3nnn[n-]3)CCO2)CCOC1 ZINC001575592464 950285157 /nfs/dbraw/zinc/28/51/57/950285157.db2.gz ATTQPEMOIOTTQV-BEFAXECRSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(Cc3ccccc3-c3nn[n-]n3)CCO2)CCOC1 ZINC001575592464 950285177 /nfs/dbraw/zinc/28/51/77/950285177.db2.gz ATTQPEMOIOTTQV-BEFAXECRSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1ccncc1 ZINC001574742449 950288255 /nfs/dbraw/zinc/28/82/55/950288255.db2.gz LGLXBZROZPIGDZ-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1ccncc1 ZINC001574742449 950288275 /nfs/dbraw/zinc/28/82/75/950288275.db2.gz LGLXBZROZPIGDZ-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)c1cnon1 ZINC001576193249 950290424 /nfs/dbraw/zinc/29/04/24/950290424.db2.gz SYOURKFMXVMMSY-UWVGGRQHSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)c1cnon1 ZINC001576193249 950290439 /nfs/dbraw/zinc/29/04/39/950290439.db2.gz SYOURKFMXVMMSY-UWVGGRQHSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)c1cnon1 ZINC001576193251 950291791 /nfs/dbraw/zinc/29/17/91/950291791.db2.gz SYOURKFMXVMMSY-ZJUUUORDSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)c1cnon1 ZINC001576193251 950291810 /nfs/dbraw/zinc/29/18/10/950291810.db2.gz SYOURKFMXVMMSY-ZJUUUORDSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCCO2)CCOC1 ZINC001575592591 950292162 /nfs/dbraw/zinc/29/21/62/950292162.db2.gz CDDOXIYXWZVFHR-KSSFIOAISA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCCO2)CCOC1 ZINC001575592591 950292180 /nfs/dbraw/zinc/29/21/80/950292180.db2.gz CDDOXIYXWZVFHR-KSSFIOAISA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cncs1 ZINC001574742609 950296869 /nfs/dbraw/zinc/29/68/69/950296869.db2.gz PXOCGSGDKHHOGK-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cncs1 ZINC001574742609 950296889 /nfs/dbraw/zinc/29/68/89/950296889.db2.gz PXOCGSGDKHHOGK-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CCOCC1 ZINC001574158890 950297803 /nfs/dbraw/zinc/29/78/03/950297803.db2.gz DYBVZWZOQFTMFR-CQSZACIVSA-N -1 3 388.476 0.537 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CCOCC1 ZINC001574158890 950297825 /nfs/dbraw/zinc/29/78/25/950297825.db2.gz DYBVZWZOQFTMFR-CQSZACIVSA-N -1 3 388.476 0.537 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)OCC1CC1 ZINC001574742628 950299283 /nfs/dbraw/zinc/29/92/83/950299283.db2.gz QGWYPVAOGACVIR-MNOVXSKESA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)OCC1CC1 ZINC001574742628 950299306 /nfs/dbraw/zinc/29/93/06/950299306.db2.gz QGWYPVAOGACVIR-MNOVXSKESA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)OCC1CC1 ZINC001574742629 950299464 /nfs/dbraw/zinc/29/94/64/950299464.db2.gz QGWYPVAOGACVIR-QWRGUYRKSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)OCC1CC1 ZINC001574742629 950299482 /nfs/dbraw/zinc/29/94/82/950299482.db2.gz QGWYPVAOGACVIR-QWRGUYRKSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccnn1C ZINC001574742675 950301705 /nfs/dbraw/zinc/30/17/05/950301705.db2.gz QKMGPTSNBIXDRF-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccnn1C ZINC001574742675 950301726 /nfs/dbraw/zinc/30/17/26/950301726.db2.gz QKMGPTSNBIXDRF-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)ccn2)[C@@H](CO)C1 ZINC001573852336 950303583 /nfs/dbraw/zinc/30/35/83/950303583.db2.gz FJSATWAZTPZHNR-GFCCVEGCSA-N -1 3 389.416 0.316 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)ccn2)[C@@H](CO)C1 ZINC001573852336 950303605 /nfs/dbraw/zinc/30/36/05/950303605.db2.gz FJSATWAZTPZHNR-GFCCVEGCSA-N -1 3 389.416 0.316 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cnccn1 ZINC001574742689 950305080 /nfs/dbraw/zinc/30/50/80/950305080.db2.gz ODCHKZAGVJSHKE-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cnccn1 ZINC001574742689 950305103 /nfs/dbraw/zinc/30/51/03/950305103.db2.gz ODCHKZAGVJSHKE-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576193615 950307953 /nfs/dbraw/zinc/30/79/53/950307953.db2.gz UVPZZDMBQVSRTL-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576193615 950307973 /nfs/dbraw/zinc/30/79/73/950307973.db2.gz UVPZZDMBQVSRTL-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(c1nnccc1-c1nnn[n-]1)CCO2 ZINC001573852407 950308035 /nfs/dbraw/zinc/30/80/35/950308035.db2.gz HQKFMNNUPWCIKD-QGZVFWFLSA-N -1 3 388.432 0.873 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(c1nnccc1-c1nn[n-]n1)CCO2 ZINC001573852407 950308061 /nfs/dbraw/zinc/30/80/61/950308061.db2.gz HQKFMNNUPWCIKD-QGZVFWFLSA-N -1 3 388.432 0.873 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574742819 950308487 /nfs/dbraw/zinc/30/84/87/950308487.db2.gz QZOWKNYGMKPCRX-FVMDXXJSSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574742819 950308504 /nfs/dbraw/zinc/30/85/04/950308504.db2.gz QZOWKNYGMKPCRX-FVMDXXJSSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@@H]1CCCOC1 ZINC001574988022 950308702 /nfs/dbraw/zinc/30/87/02/950308702.db2.gz KZNNNTZQJBFNQW-OLZOCXBDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@@H]1CCCOC1 ZINC001574988022 950308729 /nfs/dbraw/zinc/30/87/29/950308729.db2.gz KZNNNTZQJBFNQW-OLZOCXBDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@]1(C(=O)NCC[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575593491 950311363 /nfs/dbraw/zinc/31/13/63/950311363.db2.gz GHRVLHYFYKYUBX-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)NCC[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575593491 950311383 /nfs/dbraw/zinc/31/13/83/950311383.db2.gz GHRVLHYFYKYUBX-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COC1CCCC1 ZINC001574743141 950316420 /nfs/dbraw/zinc/31/64/20/950316420.db2.gz SDWQIALZXOJILJ-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC1CCCC1 ZINC001574743141 950316440 /nfs/dbraw/zinc/31/64/40/950316440.db2.gz SDWQIALZXOJILJ-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@]1(C(=O)NCC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCC(=O)NC1 ZINC001575593498 950318280 /nfs/dbraw/zinc/31/82/80/950318280.db2.gz GMTZBSUYBJUQBA-KRWDZBQOSA-N -1 3 389.485 0.393 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C1(C)CCOCC1 ZINC001574988135 950319039 /nfs/dbraw/zinc/31/90/39/950319039.db2.gz MZTUXKXHOUMNRE-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C1(C)CCOCC1 ZINC001574988135 950319057 /nfs/dbraw/zinc/31/90/57/950319057.db2.gz MZTUXKXHOUMNRE-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC=CC1 ZINC001575593830 950319224 /nfs/dbraw/zinc/31/92/24/950319224.db2.gz ORUKYNSJJNQHNS-UHFFFAOYSA-N -1 3 382.472 0.856 20 0 GCADHM CC1(C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC=CC1 ZINC001575593830 950319244 /nfs/dbraw/zinc/31/92/44/950319244.db2.gz ORUKYNSJJNQHNS-UHFFFAOYSA-N -1 3 382.472 0.856 20 0 GCADHM C[C@]1(C(=O)NCCC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575593969 950320777 /nfs/dbraw/zinc/32/07/77/950320777.db2.gz IPOSPDCRRUQXIJ-KRWDZBQOSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@]1(C(=O)NCCC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575593969 950320798 /nfs/dbraw/zinc/32/07/98/950320798.db2.gz IPOSPDCRRUQXIJ-KRWDZBQOSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001574988126 950323467 /nfs/dbraw/zinc/32/34/67/950323467.db2.gz MMHJPGGLGBLJKY-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001574988126 950323490 /nfs/dbraw/zinc/32/34/90/950323490.db2.gz MMHJPGGLGBLJKY-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM CC1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001575593858 950324777 /nfs/dbraw/zinc/32/47/77/950324777.db2.gz OXJPDLOKQRJVML-UHFFFAOYSA-N -1 3 389.460 0.716 20 0 GCADHM CC1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001575593858 950324798 /nfs/dbraw/zinc/32/47/98/950324798.db2.gz OXJPDLOKQRJVML-UHFFFAOYSA-N -1 3 389.460 0.716 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575594003 950328394 /nfs/dbraw/zinc/32/83/94/950328394.db2.gz IXXJYJUVNFOFCY-CQSZACIVSA-N -1 3 387.444 0.400 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575594003 950328417 /nfs/dbraw/zinc/32/84/17/950328417.db2.gz IXXJYJUVNFOFCY-CQSZACIVSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(Cl)no1 ZINC001574743635 950330101 /nfs/dbraw/zinc/33/01/01/950330101.db2.gz ULCGLAUUBOHEDZ-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(Cl)no1 ZINC001574743635 950330120 /nfs/dbraw/zinc/33/01/20/950330120.db2.gz ULCGLAUUBOHEDZ-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cnccc2-c2nnn[n-]2)[C@@H](O)C1 ZINC001573854028 950336760 /nfs/dbraw/zinc/33/67/60/950336760.db2.gz XBLPINRBZJDGEY-STQMWFEESA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cnccc2-c2nn[n-]n2)[C@@H](O)C1 ZINC001573854028 950336780 /nfs/dbraw/zinc/33/67/80/950336780.db2.gz XBLPINRBZJDGEY-STQMWFEESA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1cnnn1 ZINC001574160324 950336673 /nfs/dbraw/zinc/33/66/73/950336673.db2.gz NEQVQILNSQURLD-LBPRGKRZSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1cnnn1 ZINC001574160324 950336688 /nfs/dbraw/zinc/33/66/88/950336688.db2.gz NEQVQILNSQURLD-LBPRGKRZSA-N -1 3 385.436 0.281 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COc1ccccc1 ZINC001574988609 950338482 /nfs/dbraw/zinc/33/84/82/950338482.db2.gz SPVPPLZRHNYBGH-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COc1ccccc1 ZINC001574988609 950338510 /nfs/dbraw/zinc/33/85/10/950338510.db2.gz SPVPPLZRHNYBGH-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2cc(-c3nnn[n-]3)cnn2)C1 ZINC001573854275 950340376 /nfs/dbraw/zinc/34/03/76/950340376.db2.gz YRVFOBWFUYACNY-ZDUSSCGKSA-N -1 3 390.448 0.855 20 0 GCADHM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2cc(-c3nn[n-]n3)cnn2)C1 ZINC001573854275 950340400 /nfs/dbraw/zinc/34/04/00/950340400.db2.gz YRVFOBWFUYACNY-ZDUSSCGKSA-N -1 3 390.448 0.855 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)Nc1nccs1 ZINC001574988573 950340548 /nfs/dbraw/zinc/34/05/48/950340548.db2.gz SHICUIAMZXRKEB-VIFPVBQESA-N -1 3 389.445 0.340 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)Nc1nccs1 ZINC001574988573 950340565 /nfs/dbraw/zinc/34/05/65/950340565.db2.gz SHICUIAMZXRKEB-VIFPVBQESA-N -1 3 389.445 0.340 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001574988674 950344686 /nfs/dbraw/zinc/34/46/86/950344686.db2.gz UFWJVJREJMGVSB-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001574988674 950344704 /nfs/dbraw/zinc/34/47/04/950344704.db2.gz UFWJVJREJMGVSB-DIFFPNOSSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001573854698 950344935 /nfs/dbraw/zinc/34/49/35/950344935.db2.gz CLQKQHLVYJZTNB-CYBMUJFWSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001573854698 950344959 /nfs/dbraw/zinc/34/49/59/950344959.db2.gz CLQKQHLVYJZTNB-CYBMUJFWSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574160641 950345167 /nfs/dbraw/zinc/34/51/67/950345167.db2.gz PQJLYMITMMOXDK-JSGCOSHPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574160641 950345185 /nfs/dbraw/zinc/34/51/85/950345185.db2.gz PQJLYMITMMOXDK-JSGCOSHPSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574988766 950345379 /nfs/dbraw/zinc/34/53/79/950345379.db2.gz UTKWZLMFBPYCPA-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574988766 950345408 /nfs/dbraw/zinc/34/54/08/950345408.db2.gz UTKWZLMFBPYCPA-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576194479 950345692 /nfs/dbraw/zinc/34/56/92/950345692.db2.gz ZHADCLONMFNPMU-MNOVXSKESA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576194479 950345710 /nfs/dbraw/zinc/34/57/10/950345710.db2.gz ZHADCLONMFNPMU-MNOVXSKESA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576194545 950348025 /nfs/dbraw/zinc/34/80/25/950348025.db2.gz ZYFBZNZOLWFVQK-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576194545 950348045 /nfs/dbraw/zinc/34/80/45/950348045.db2.gz ZYFBZNZOLWFVQK-RYUDHWBXSA-N -1 3 382.432 0.601 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001573854914 950350810 /nfs/dbraw/zinc/35/08/10/950350810.db2.gz HPQFAGGBXSKLFA-GXTWGEPZSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001573854914 950350829 /nfs/dbraw/zinc/35/08/29/950350829.db2.gz HPQFAGGBXSKLFA-GXTWGEPZSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001574989433 950358170 /nfs/dbraw/zinc/35/81/70/950358170.db2.gz ZEIXTMWGFBUYEZ-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001574989433 950358194 /nfs/dbraw/zinc/35/81/94/950358194.db2.gz ZEIXTMWGFBUYEZ-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CCNC(=O)C[C@@H](C)NC(N)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574502173 950362031 /nfs/dbraw/zinc/36/20/31/950362031.db2.gz KCJNUWFMGXPOBA-NXEZZACHSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@H](CCNC(=O)C[C@@H](C)NC(N)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574502173 950362045 /nfs/dbraw/zinc/36/20/45/950362045.db2.gz KCJNUWFMGXPOBA-NXEZZACHSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908384 950363252 /nfs/dbraw/zinc/36/32/52/950363252.db2.gz BNLZXJVUKZJPPV-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908384 950363279 /nfs/dbraw/zinc/36/32/79/950363279.db2.gz BNLZXJVUKZJPPV-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574502208 950363686 /nfs/dbraw/zinc/36/36/86/950363686.db2.gz KMIBDUPDERWGJD-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM CC(C)(C)NC(=O)CN1CCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573855248 950364043 /nfs/dbraw/zinc/36/40/43/950364043.db2.gz MWQKYBRNDPCMNH-ZDUSSCGKSA-N -1 3 388.476 0.694 20 0 GCADHM CC(C)(C)NC(=O)CN1CCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573855248 950364065 /nfs/dbraw/zinc/36/40/65/950364065.db2.gz MWQKYBRNDPCMNH-ZDUSSCGKSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574990424 950370012 /nfs/dbraw/zinc/37/00/12/950370012.db2.gz BYNGWQOBKGGEQY-CMPLNLGQSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574990424 950370027 /nfs/dbraw/zinc/37/00/27/950370027.db2.gz BYNGWQOBKGGEQY-CMPLNLGQSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574745157 950373844 /nfs/dbraw/zinc/37/38/44/950373844.db2.gz FZWPFCQUGHGFKM-SSDOTTSWSA-N -1 3 378.347 0.890 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CC1 ZINC001574502338 950374957 /nfs/dbraw/zinc/37/49/57/950374957.db2.gz MANOBCIRYNHKSE-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CC1 ZINC001574502338 950374970 /nfs/dbraw/zinc/37/49/70/950374970.db2.gz MANOBCIRYNHKSE-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574502373 950375429 /nfs/dbraw/zinc/37/54/29/950375429.db2.gz MMPNDBZWSINQEU-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574502373 950375450 /nfs/dbraw/zinc/37/54/50/950375450.db2.gz MMPNDBZWSINQEU-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM CC1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001575596540 950375691 /nfs/dbraw/zinc/37/56/91/950375691.db2.gz FMNKSOSHRRIZTF-HAQNSBGRSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001575596540 950375710 /nfs/dbraw/zinc/37/57/10/950375710.db2.gz FMNKSOSHRRIZTF-HAQNSBGRSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1=O ZINC001573855509 950377047 /nfs/dbraw/zinc/37/70/47/950377047.db2.gz WLANWRTWGQGNNE-CQSZACIVSA-N -1 3 386.460 0.352 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001573855509 950377070 /nfs/dbraw/zinc/37/70/70/950377070.db2.gz WLANWRTWGQGNNE-CQSZACIVSA-N -1 3 386.460 0.352 20 0 GCADHM CC(C)(C)NC(=O)CN1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573855462 950377797 /nfs/dbraw/zinc/37/77/97/950377797.db2.gz UVLPWKVIQOKMIE-GFCCVEGCSA-N -1 3 388.476 0.694 20 0 GCADHM CC(C)(C)NC(=O)CN1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573855462 950377815 /nfs/dbraw/zinc/37/78/15/950377815.db2.gz UVLPWKVIQOKMIE-GFCCVEGCSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nc(C2CC2)nn1C ZINC001574990706 950379865 /nfs/dbraw/zinc/37/98/65/950379865.db2.gz FHFSXHKDDYKKPY-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nc(C2CC2)nn1C ZINC001574990706 950379888 /nfs/dbraw/zinc/37/98/88/950379888.db2.gz FHFSXHKDDYKKPY-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574745405 950380510 /nfs/dbraw/zinc/38/05/10/950380510.db2.gz JFUNSBBHKSWWGS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574745405 950380532 /nfs/dbraw/zinc/38/05/32/950380532.db2.gz JFUNSBBHKSWWGS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574502504 950383886 /nfs/dbraw/zinc/38/38/86/950383886.db2.gz OKOBOEKFZFMJPK-DGCLKSJQSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574502504 950383912 /nfs/dbraw/zinc/38/39/12/950383912.db2.gz OKOBOEKFZFMJPK-DGCLKSJQSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nc(C(F)F)no1 ZINC001574991132 950385960 /nfs/dbraw/zinc/38/59/60/950385960.db2.gz HEVKEKSOKXTITE-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nc(C(F)F)no1 ZINC001574991132 950385980 /nfs/dbraw/zinc/38/59/80/950385980.db2.gz HEVKEKSOKXTITE-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ncccc3-c3nnn[n-]3)CCCO2)CCOC1 ZINC001575596883 950387431 /nfs/dbraw/zinc/38/74/31/950387431.db2.gz VVDZBBPVSJDLQM-SCLBCKFNSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ncccc3-c3nn[n-]n3)CCCO2)CCOC1 ZINC001575596883 950387454 /nfs/dbraw/zinc/38/74/54/950387454.db2.gz VVDZBBPVSJDLQM-SCLBCKFNSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F)NC(N)=O ZINC001574502672 950391091 /nfs/dbraw/zinc/39/10/91/950391091.db2.gz PMLVPTGDVKOPNT-GXFFZTMASA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574502693 950391734 /nfs/dbraw/zinc/39/17/34/950391734.db2.gz QIDACVFLIGIGTG-NEPJUHHUSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574502693 950391755 /nfs/dbraw/zinc/39/17/55/950391755.db2.gz QIDACVFLIGIGTG-NEPJUHHUSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nsc(N(C)C)n1 ZINC001574745866 950393427 /nfs/dbraw/zinc/39/34/27/950393427.db2.gz LGYLWZJICSJYKD-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573856702 950393693 /nfs/dbraw/zinc/39/36/93/950393693.db2.gz GQNZLGCAOGJWEG-KRWDZBQOSA-N -1 3 391.432 0.951 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573856702 950393711 /nfs/dbraw/zinc/39/37/11/950393711.db2.gz GQNZLGCAOGJWEG-KRWDZBQOSA-N -1 3 391.432 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nsc(N(C)C)n1 ZINC001574745866 950393447 /nfs/dbraw/zinc/39/34/47/950393447.db2.gz LGYLWZJICSJYKD-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nnn(C(C)(C)C)n1 ZINC001574991204 950394256 /nfs/dbraw/zinc/39/42/56/950394256.db2.gz IQWWIEBGDZDYNS-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nnn(C(C)(C)C)n1 ZINC001574991204 950394273 /nfs/dbraw/zinc/39/42/73/950394273.db2.gz IQWWIEBGDZDYNS-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574502888 950394841 /nfs/dbraw/zinc/39/48/41/950394841.db2.gz RNTGFPVWUBMXDF-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C(=O)NC[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575596935 950395053 /nfs/dbraw/zinc/39/50/53/950395053.db2.gz JSWYSADXOVMWAP-AULYBMBSSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575596935 950395075 /nfs/dbraw/zinc/39/50/75/950395075.db2.gz JSWYSADXOVMWAP-AULYBMBSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574502888 950394864 /nfs/dbraw/zinc/39/48/64/950394864.db2.gz RNTGFPVWUBMXDF-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574502849 950396743 /nfs/dbraw/zinc/39/67/43/950396743.db2.gz RCCYQYRXQPQIAM-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574502849 950396761 /nfs/dbraw/zinc/39/67/61/950396761.db2.gz RCCYQYRXQPQIAM-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573857045 950397934 /nfs/dbraw/zinc/39/79/34/950397934.db2.gz LUJDNQHEIUFWAO-QGZVFWFLSA-N -1 3 391.432 0.951 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573857045 950397957 /nfs/dbraw/zinc/39/79/57/950397957.db2.gz LUJDNQHEIUFWAO-QGZVFWFLSA-N -1 3 391.432 0.951 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC001573857070 950401067 /nfs/dbraw/zinc/40/10/67/950401067.db2.gz MWYZUXPXAFMTDT-NXEZZACHSA-N -1 3 380.430 0.638 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001573857070 950401077 /nfs/dbraw/zinc/40/10/77/950401077.db2.gz MWYZUXPXAFMTDT-NXEZZACHSA-N -1 3 380.430 0.638 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574503071 950401350 /nfs/dbraw/zinc/40/13/50/950401350.db2.gz SXLZIZMGSAZSSI-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574503071 950401359 /nfs/dbraw/zinc/40/13/59/950401359.db2.gz SXLZIZMGSAZSSI-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574503271 950403775 /nfs/dbraw/zinc/40/37/75/950403775.db2.gz UCWJNOHRMJLZGV-MFKMUULPSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574503271 950403785 /nfs/dbraw/zinc/40/37/85/950403785.db2.gz UCWJNOHRMJLZGV-MFKMUULPSA-N -1 3 390.423 0.143 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2c2ncc(-c3nnn[n-]3)cc2F)CCC1 ZINC001575597191 950404761 /nfs/dbraw/zinc/40/47/61/950404761.db2.gz YEABKQQSAXZSSF-GFCCVEGCSA-N -1 3 375.408 0.912 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2c2ncc(-c3nn[n-]n3)cc2F)CCC1 ZINC001575597191 950404778 /nfs/dbraw/zinc/40/47/78/950404778.db2.gz YEABKQQSAXZSSF-GFCCVEGCSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nnsc1Cl ZINC001574747535 950407719 /nfs/dbraw/zinc/40/77/19/950407719.db2.gz TWABHUMNEBIWBQ-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nnsc1Cl ZINC001574747535 950407738 /nfs/dbraw/zinc/40/77/38/950407738.db2.gz TWABHUMNEBIWBQ-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001574991535 950409325 /nfs/dbraw/zinc/40/93/25/950409325.db2.gz NREKYFPXOJIBNU-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001574991535 950409341 /nfs/dbraw/zinc/40/93/41/950409341.db2.gz NREKYFPXOJIBNU-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574747513 950409830 /nfs/dbraw/zinc/40/98/30/950409830.db2.gz SZDXIDNUJNEJCS-ZETCQYMHSA-N -1 3 378.347 0.890 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001574503454 950411312 /nfs/dbraw/zinc/41/13/12/950411312.db2.gz WLICTIRIFNNAOK-SMDDNHRTSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001574503454 950411325 /nfs/dbraw/zinc/41/13/25/950411325.db2.gz WLICTIRIFNNAOK-SMDDNHRTSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CO1 ZINC001573857738 950411896 /nfs/dbraw/zinc/41/18/96/950411896.db2.gz YZRVTHUYIQJCGS-SNVBAGLBSA-N -1 3 397.417 0.091 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CO1 ZINC001573857738 950411903 /nfs/dbraw/zinc/41/19/03/950411903.db2.gz YZRVTHUYIQJCGS-SNVBAGLBSA-N -1 3 397.417 0.091 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575597450 950412599 /nfs/dbraw/zinc/41/25/99/950412599.db2.gz PYQABDXZTCXIEU-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575597450 950412619 /nfs/dbraw/zinc/41/26/19/950412619.db2.gz PYQABDXZTCXIEU-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cscc2-c2nnn[n-]2)C1 ZINC001573857742 950414037 /nfs/dbraw/zinc/41/40/37/950414037.db2.gz ZGYSZFIHZVTZEY-GHMZBOCLSA-N -1 3 380.430 0.638 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cscc2-c2nn[n-]n2)C1 ZINC001573857742 950414043 /nfs/dbraw/zinc/41/40/43/950414043.db2.gz ZGYSZFIHZVTZEY-GHMZBOCLSA-N -1 3 380.430 0.638 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(-c3nnn[n-]3)ccn2)CCO1 ZINC001573860061 950418081 /nfs/dbraw/zinc/41/80/81/950418081.db2.gz CDYSEKCRNYZBIB-AWEZNQCLSA-N -1 3 375.433 0.987 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(-c3nn[n-]n3)ccn2)CCO1 ZINC001573860061 950418095 /nfs/dbraw/zinc/41/80/95/950418095.db2.gz CDYSEKCRNYZBIB-AWEZNQCLSA-N -1 3 375.433 0.987 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001574991852 950421476 /nfs/dbraw/zinc/42/14/76/950421476.db2.gz SPLVKCOZKBMYLV-BXKDBHETSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001574991852 950421491 /nfs/dbraw/zinc/42/14/91/950421491.db2.gz SPLVKCOZKBMYLV-BXKDBHETSA-N -1 3 383.416 0.273 20 0 GCADHM CC(C)(C)OC(=O)NC1CCN(CCNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001573860352 950422581 /nfs/dbraw/zinc/42/25/81/950422581.db2.gz GZVAOTBBKUKESN-UHFFFAOYSA-N -1 3 389.464 0.480 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001574991854 950422877 /nfs/dbraw/zinc/42/28/77/950422877.db2.gz SPLVKCOZKBMYLV-JOYOIKCWSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001574991854 950422884 /nfs/dbraw/zinc/42/28/84/950422884.db2.gz SPLVKCOZKBMYLV-JOYOIKCWSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001574991855 950422955 /nfs/dbraw/zinc/42/29/55/950422955.db2.gz SPLVKCOZKBMYLV-SKDRFNHKSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001574991855 950422966 /nfs/dbraw/zinc/42/29/66/950422966.db2.gz SPLVKCOZKBMYLV-SKDRFNHKSA-N -1 3 383.416 0.273 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001573860625 950428422 /nfs/dbraw/zinc/42/84/22/950428422.db2.gz KBBUUVLHXKPEDZ-KBPBESRZSA-N -1 3 388.428 0.336 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001573860625 950428432 /nfs/dbraw/zinc/42/84/32/950428432.db2.gz KBBUUVLHXKPEDZ-KBPBESRZSA-N -1 3 388.428 0.336 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)CCNC1=O ZINC001575599444 950430885 /nfs/dbraw/zinc/43/08/85/950430885.db2.gz JFAALOCPMIMXBN-FZKQIMNGSA-N -1 3 387.419 0.223 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnccc2-c2nnn[n-]2)CCCO1 ZINC001573860711 950431753 /nfs/dbraw/zinc/43/17/53/950431753.db2.gz MTRYCDUFKUZICN-LLVKDONJSA-N -1 3 376.421 0.777 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H]1CN(c2nnccc2-c2nn[n-]n2)CCCO1 ZINC001573860711 950431771 /nfs/dbraw/zinc/43/17/71/950431771.db2.gz MTRYCDUFKUZICN-LLVKDONJSA-N -1 3 376.421 0.777 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575911101 950434704 /nfs/dbraw/zinc/43/47/04/950434704.db2.gz DBJYABLSYNBAJX-ONGXEEELSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575911101 950434714 /nfs/dbraw/zinc/43/47/14/950434714.db2.gz DBJYABLSYNBAJX-ONGXEEELSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(Cl)no1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574750657 950434882 /nfs/dbraw/zinc/43/48/82/950434882.db2.gz FODMFRRVQXOKEQ-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(Cl)no1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574750657 950434894 /nfs/dbraw/zinc/43/48/94/950434894.db2.gz FODMFRRVQXOKEQ-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575911183 950436832 /nfs/dbraw/zinc/43/68/32/950436832.db2.gz NEHDKWHOWMHZCE-SMDDNHRTSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575911183 950436840 /nfs/dbraw/zinc/43/68/40/950436840.db2.gz NEHDKWHOWMHZCE-SMDDNHRTSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574750678 950439899 /nfs/dbraw/zinc/43/98/99/950439899.db2.gz FVFGQEYFBANIOX-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574750678 950439916 /nfs/dbraw/zinc/43/99/16/950439916.db2.gz FVFGQEYFBANIOX-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911227 950441463 /nfs/dbraw/zinc/44/14/63/950441463.db2.gz NVSXTPQGTFNEMZ-TZMCWYRMSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911227 950441472 /nfs/dbraw/zinc/44/14/72/950441472.db2.gz NVSXTPQGTFNEMZ-TZMCWYRMSA-N -1 3 384.444 0.676 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001574165342 950444475 /nfs/dbraw/zinc/44/44/75/950444475.db2.gz DFTSDGCQXCDDLX-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001574165342 950444485 /nfs/dbraw/zinc/44/44/85/950444485.db2.gz DFTSDGCQXCDDLX-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1coc(CC2CC2)n1 ZINC001574992449 950444805 /nfs/dbraw/zinc/44/48/05/950444805.db2.gz CQAUWVSAUDLTSH-SECBINFHSA-N -1 3 384.400 0.684 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1coc(CC2CC2)n1 ZINC001574992449 950444824 /nfs/dbraw/zinc/44/48/24/950444824.db2.gz CQAUWVSAUDLTSH-SECBINFHSA-N -1 3 384.400 0.684 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)CCCC1 ZINC001575604982 950454944 /nfs/dbraw/zinc/45/49/44/950454944.db2.gz JGZULYUUSHZEIX-OLZOCXBDSA-N -1 3 375.408 0.647 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)CCCC1 ZINC001575604982 950454955 /nfs/dbraw/zinc/45/49/55/950454955.db2.gz JGZULYUUSHZEIX-OLZOCXBDSA-N -1 3 375.408 0.647 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575911898 950456288 /nfs/dbraw/zinc/45/62/88/950456288.db2.gz FREUHDGQACBIOD-BXKDBHETSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575911898 950456301 /nfs/dbraw/zinc/45/63/01/950456301.db2.gz FREUHDGQACBIOD-BXKDBHETSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575911900 950456985 /nfs/dbraw/zinc/45/69/85/950456985.db2.gz FREUHDGQACBIOD-CABZTGNLSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575911900 950456999 /nfs/dbraw/zinc/45/69/99/950456999.db2.gz FREUHDGQACBIOD-CABZTGNLSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574993009 950457636 /nfs/dbraw/zinc/45/76/36/950457636.db2.gz IBQPQRXIKZORQI-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccc(N(C)C)nc1 ZINC001574993009 950457651 /nfs/dbraw/zinc/45/76/51/950457651.db2.gz IBQPQRXIKZORQI-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccccn1 ZINC001574751400 950457917 /nfs/dbraw/zinc/45/79/17/950457917.db2.gz MZLJGNXYDZMYCR-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccccn1 ZINC001574751400 950457929 /nfs/dbraw/zinc/45/79/29/950457929.db2.gz MZLJGNXYDZMYCR-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574992724 950458403 /nfs/dbraw/zinc/45/84/03/950458403.db2.gz HPWLEBMBAKNNKU-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574992724 950458419 /nfs/dbraw/zinc/45/84/19/950458419.db2.gz HPWLEBMBAKNNKU-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575912181 950458917 /nfs/dbraw/zinc/45/89/17/950458917.db2.gz QFMMSNZGQOESOY-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575912181 950458931 /nfs/dbraw/zinc/45/89/31/950458931.db2.gz QFMMSNZGQOESOY-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1snnc1C1CC1 ZINC001574992716 950459138 /nfs/dbraw/zinc/45/91/38/950459138.db2.gz HOHJZRWOMIXIGZ-ZETCQYMHSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1snnc1C1CC1 ZINC001574992716 950459155 /nfs/dbraw/zinc/45/91/55/950459155.db2.gz HOHJZRWOMIXIGZ-ZETCQYMHSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575912241 950463577 /nfs/dbraw/zinc/46/35/77/950463577.db2.gz RAVDJXBDWUSASL-KOLCDFICSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575912241 950463588 /nfs/dbraw/zinc/46/35/88/950463588.db2.gz RAVDJXBDWUSASL-KOLCDFICSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccc(F)cc1F ZINC001574993141 950463608 /nfs/dbraw/zinc/46/36/08/950463608.db2.gz JSULQYVONOTWGU-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccc(F)cc1F ZINC001574993141 950463619 /nfs/dbraw/zinc/46/36/19/950463619.db2.gz JSULQYVONOTWGU-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C(F)F)c1 ZINC001574993597 950468246 /nfs/dbraw/zinc/46/82/46/950468246.db2.gz LJPRKWPWIUMXHH-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C(F)F)c1 ZINC001574993597 950468259 /nfs/dbraw/zinc/46/82/59/950468259.db2.gz LJPRKWPWIUMXHH-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575912633 950469194 /nfs/dbraw/zinc/46/91/94/950469194.db2.gz HVVTUHGOXLVWKY-ONGXEEELSA-N -1 3 380.416 0.972 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575912632 950470048 /nfs/dbraw/zinc/47/00/48/950470048.db2.gz HVVTUHGOXLVWKY-MWLCHTKSSA-N -1 3 380.416 0.972 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001573862656 950471567 /nfs/dbraw/zinc/47/15/67/950471567.db2.gz ZWSUNRZANGIPFQ-OLZOCXBDSA-N -1 3 389.416 0.560 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001573862656 950471578 /nfs/dbraw/zinc/47/15/78/950471578.db2.gz ZWSUNRZANGIPFQ-OLZOCXBDSA-N -1 3 389.416 0.560 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575605591 950471889 /nfs/dbraw/zinc/47/18/89/950471889.db2.gz NRQVTSAPCNFFFO-BJHJDKERSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575605591 950471894 /nfs/dbraw/zinc/47/18/94/950471894.db2.gz NRQVTSAPCNFFFO-BJHJDKERSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)c1c[nH]cn1 ZINC001574752167 950472134 /nfs/dbraw/zinc/47/21/34/950472134.db2.gz UXYBVOTZSPNDJC-SNVBAGLBSA-N -1 3 385.432 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1cccc(F)c1F ZINC001574994228 950477285 /nfs/dbraw/zinc/47/72/85/950477285.db2.gz PFRIBTSEODRGCK-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1cccc(F)c1F ZINC001574994228 950477301 /nfs/dbraw/zinc/47/73/01/950477301.db2.gz PFRIBTSEODRGCK-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574166757 950477323 /nfs/dbraw/zinc/47/73/23/950477323.db2.gz YCHXDJKSSPQZNZ-ZDUSSCGKSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574166757 950477339 /nfs/dbraw/zinc/47/73/39/950477339.db2.gz YCHXDJKSSPQZNZ-ZDUSSCGKSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574994444 950480494 /nfs/dbraw/zinc/48/04/94/950480494.db2.gz RBPRFNPNOLPYMY-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C(F)F)ncn1 ZINC001574994444 950480505 /nfs/dbraw/zinc/48/05/05/950480505.db2.gz RBPRFNPNOLPYMY-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574994438 950482106 /nfs/dbraw/zinc/48/21/06/950482106.db2.gz QZSXKBAYJVQJMS-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574994438 950482124 /nfs/dbraw/zinc/48/21/24/950482124.db2.gz QZSXKBAYJVQJMS-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575913863 950486596 /nfs/dbraw/zinc/48/65/96/950486596.db2.gz JYGXDTKUBURFAB-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575913863 950486605 /nfs/dbraw/zinc/48/66/05/950486605.db2.gz JYGXDTKUBURFAB-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574752430 950486839 /nfs/dbraw/zinc/48/68/39/950486839.db2.gz WPTZWBLEJQLGMU-NEPJUHHUSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574752430 950486849 /nfs/dbraw/zinc/48/68/49/950486849.db2.gz WPTZWBLEJQLGMU-NEPJUHHUSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575913855 950488168 /nfs/dbraw/zinc/48/81/68/950488168.db2.gz JYGXDTKUBURFAB-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575913855 950488178 /nfs/dbraw/zinc/48/81/78/950488178.db2.gz JYGXDTKUBURFAB-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nc(CC2CC2)no1 ZINC001574752877 950499421 /nfs/dbraw/zinc/49/94/21/950499421.db2.gz BRRWZTYVZALVDM-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nc(CC2CC2)no1 ZINC001574752877 950499433 /nfs/dbraw/zinc/49/94/33/950499433.db2.gz BRRWZTYVZALVDM-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573866478 950500720 /nfs/dbraw/zinc/50/07/20/950500720.db2.gz DQMLNBGWMNZOHZ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573866478 950500733 /nfs/dbraw/zinc/50/07/33/950500733.db2.gz DQMLNBGWMNZOHZ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573866475 950501191 /nfs/dbraw/zinc/50/11/91/950501191.db2.gz DPDVEGJHETZDEG-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573866475 950501205 /nfs/dbraw/zinc/50/12/05/950501205.db2.gz DPDVEGJHETZDEG-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575914653 950502144 /nfs/dbraw/zinc/50/21/44/950502144.db2.gz VKSLPLVXYFJOEK-DGCLKSJQSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCNC1=O 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/nfs/dbraw/zinc/51/73/24/950517324.db2.gz NPOMVCVLHBBRCM-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574753255 950518122 /nfs/dbraw/zinc/51/81/22/950518122.db2.gz DTEJWMVBZRBLLF-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574753255 950518142 /nfs/dbraw/zinc/51/81/42/950518142.db2.gz DTEJWMVBZRBLLF-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573867124 950523702 /nfs/dbraw/zinc/52/37/02/950523702.db2.gz PWJGEVNJLOPMOO-GOSISDBHSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573867124 950523718 /nfs/dbraw/zinc/52/37/18/950523718.db2.gz PWJGEVNJLOPMOO-GOSISDBHSA-N -1 3 389.460 0.842 20 0 GCADHM C[C@@H](CC(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574509723 950524524 /nfs/dbraw/zinc/52/45/24/950524524.db2.gz 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ZINC001573869109 950557521 /nfs/dbraw/zinc/55/75/21/950557521.db2.gz KDMLTDAKYHZSKD-UHFFFAOYSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573869317 950561206 /nfs/dbraw/zinc/56/12/06/950561206.db2.gz OREAQENXLITSLV-CYBMUJFWSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573869317 950561225 /nfs/dbraw/zinc/56/12/25/950561225.db2.gz OREAQENXLITSLV-CYBMUJFWSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CCO)CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573869299 950561293 /nfs/dbraw/zinc/56/12/93/950561293.db2.gz NZDSJFABDZXKFW-UHFFFAOYSA-N -1 3 388.472 0.735 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CCO)CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573869299 950561312 /nfs/dbraw/zinc/56/13/12/950561312.db2.gz NZDSJFABDZXKFW-UHFFFAOYSA-N -1 3 388.472 0.735 20 0 GCADHM C[C@]1(C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)CCNC(=O)C1 ZINC001575615009 950566636 /nfs/dbraw/zinc/56/66/36/950566636.db2.gz YSTCWYZIZPSPLS-KRWDZBQOSA-N -1 3 381.400 0.361 20 0 GCADHM C[C@]1(C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)CCNC(=O)C1 ZINC001575615009 950566653 /nfs/dbraw/zinc/56/66/53/950566653.db2.gz YSTCWYZIZPSPLS-KRWDZBQOSA-N -1 3 381.400 0.361 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574754197 950567020 /nfs/dbraw/zinc/56/70/20/950567020.db2.gz ZQSPECYMBPQOJA-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574754197 950567034 /nfs/dbraw/zinc/56/70/34/950567034.db2.gz ZQSPECYMBPQOJA-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574999029 950567341 /nfs/dbraw/zinc/56/73/41/950567341.db2.gz DITTVCQQAXZZBW-QMMMGPOBSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574999029 950567352 /nfs/dbraw/zinc/56/73/52/950567352.db2.gz DITTVCQQAXZZBW-QMMMGPOBSA-N -1 3 376.808 0.735 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573869579 950568691 /nfs/dbraw/zinc/56/86/91/950568691.db2.gz QQEGSXMEVBZYDC-BXUZGUMPSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573869579 950568710 /nfs/dbraw/zinc/56/87/10/950568710.db2.gz QQEGSXMEVBZYDC-BXUZGUMPSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573869603 950569506 /nfs/dbraw/zinc/56/95/06/950569506.db2.gz ADOSTFKBJPDWIA-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573869603 950569530 /nfs/dbraw/zinc/56/95/30/950569530.db2.gz ADOSTFKBJPDWIA-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574999060 950570885 /nfs/dbraw/zinc/57/08/85/950570885.db2.gz FLUBSGSQKGHYJX-MRVPVSSYSA-N -1 3 387.379 0.306 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574999060 950570898 /nfs/dbraw/zinc/57/08/98/950570898.db2.gz FLUBSGSQKGHYJX-MRVPVSSYSA-N -1 3 387.379 0.306 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574511770 950574027 /nfs/dbraw/zinc/57/40/27/950574027.db2.gz TXQLQHAEAUTRDG-RAIGVLPGSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574511770 950574052 /nfs/dbraw/zinc/57/40/52/950574052.db2.gz TXQLQHAEAUTRDG-RAIGVLPGSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1coc(C2CC2)n1 ZINC001574754674 950577165 /nfs/dbraw/zinc/57/71/65/950577165.db2.gz NZLYJKZGUOPTDS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1coc(C2CC2)n1 ZINC001574754674 950577185 /nfs/dbraw/zinc/57/71/85/950577185.db2.gz NZLYJKZGUOPTDS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573869740 950577569 /nfs/dbraw/zinc/57/75/69/950577569.db2.gz CAHZYSBVZWKWQH-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573869740 950577586 /nfs/dbraw/zinc/57/75/86/950577586.db2.gz CAHZYSBVZWKWQH-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574999293 950577896 /nfs/dbraw/zinc/57/78/96/950577896.db2.gz IVEGLIUDFPTAKX-SSDOTTSWSA-N -1 3 389.807 0.573 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574999293 950577914 /nfs/dbraw/zinc/57/79/14/950577914.db2.gz IVEGLIUDFPTAKX-SSDOTTSWSA-N -1 3 389.807 0.573 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573869742 950578610 /nfs/dbraw/zinc/57/86/10/950578610.db2.gz CAHZYSBVZWKWQH-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573869742 950578627 /nfs/dbraw/zinc/57/86/27/950578627.db2.gz CAHZYSBVZWKWQH-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nc2ncccn2n1 ZINC001575917543 950579879 /nfs/dbraw/zinc/57/98/79/950579879.db2.gz YXWCLTDCVIFRJJ-PWSUYJOCSA-N -1 3 391.399 0.415 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nc2ncccn2n1 ZINC001575917543 950579894 /nfs/dbraw/zinc/57/98/94/950579894.db2.gz YXWCLTDCVIFRJJ-PWSUYJOCSA-N -1 3 391.399 0.415 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)C(F)(F)F ZINC001574511967 950580217 /nfs/dbraw/zinc/58/02/17/950580217.db2.gz YBIKCSDFZJZGGN-XXILOJSOSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)C(F)(F)F ZINC001574511967 950580235 /nfs/dbraw/zinc/58/02/35/950580235.db2.gz YBIKCSDFZJZGGN-XXILOJSOSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)c[nH]1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574999435 950581493 /nfs/dbraw/zinc/58/14/93/950581493.db2.gz JRYCNKDOCMSJIV-MRVPVSSYSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)c[nH]1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574999435 950581513 /nfs/dbraw/zinc/58/15/13/950581513.db2.gz JRYCNKDOCMSJIV-MRVPVSSYSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)c[nH]1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574999436 950581666 /nfs/dbraw/zinc/58/16/66/950581666.db2.gz JRYCNKDOCMSJIV-QMMMGPOBSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)c[nH]1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574999436 950581679 /nfs/dbraw/zinc/58/16/79/950581679.db2.gz JRYCNKDOCMSJIV-QMMMGPOBSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574512008 950587901 /nfs/dbraw/zinc/58/79/01/950587901.db2.gz ZPJXIOSPBUSTQB-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574512008 950587916 /nfs/dbraw/zinc/58/79/16/950587916.db2.gz ZPJXIOSPBUSTQB-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574755165 950590820 /nfs/dbraw/zinc/59/08/20/950590820.db2.gz SOJIQXHYGJZCTA-JTQLQIEISA-N -1 3 384.400 0.115 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574755165 950590837 /nfs/dbraw/zinc/59/08/37/950590837.db2.gz SOJIQXHYGJZCTA-JTQLQIEISA-N -1 3 384.400 0.115 20 0 GCADHM CC1CCN(CC(=O)NCCN(c2ccnc(-c3nnn[n-]3)n2)C2CC2)CC1 ZINC001576207385 950592498 /nfs/dbraw/zinc/59/24/98/950592498.db2.gz GSUNUHMAWQMDQB-UHFFFAOYSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000065 950592785 /nfs/dbraw/zinc/59/27/85/950592785.db2.gz OUCGRAYKUAXMEY-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000065 950592802 /nfs/dbraw/zinc/59/28/02/950592802.db2.gz OUCGRAYKUAXMEY-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575616985 950593180 /nfs/dbraw/zinc/59/31/80/950593180.db2.gz XAUOPSVTULFLLQ-SNVBAGLBSA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575616985 950593194 /nfs/dbraw/zinc/59/31/94/950593194.db2.gz XAUOPSVTULFLLQ-SNVBAGLBSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1 ZINC001573870556 950593772 /nfs/dbraw/zinc/59/37/72/950593772.db2.gz IHRKNMNVFBMSRP-AWEZNQCLSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1 ZINC001573870556 950593793 /nfs/dbraw/zinc/59/37/93/950593793.db2.gz IHRKNMNVFBMSRP-AWEZNQCLSA-N -1 3 389.460 0.788 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H]1C)n1ccnc1 ZINC001574513206 950597879 /nfs/dbraw/zinc/59/78/79/950597879.db2.gz JPRPRQFUOVNJQL-UPJWGTAASA-N -1 3 382.432 0.588 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H]1C)n1ccnc1 ZINC001574513206 950597892 /nfs/dbraw/zinc/59/78/92/950597892.db2.gz JPRPRQFUOVNJQL-UPJWGTAASA-N -1 3 382.432 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574755834 950600566 /nfs/dbraw/zinc/60/05/66/950600566.db2.gz XBZWLJJGEKLFCM-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574755834 950600578 /nfs/dbraw/zinc/60/05/78/950600578.db2.gz XBZWLJJGEKLFCM-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573870923 950603316 /nfs/dbraw/zinc/60/33/16/950603316.db2.gz KLZHFAFTIWKXQW-QGZVFWFLSA-N -1 3 375.433 0.134 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573870923 950603329 /nfs/dbraw/zinc/60/33/29/950603329.db2.gz KLZHFAFTIWKXQW-QGZVFWFLSA-N -1 3 375.433 0.134 20 0 GCADHM C[C@@H]1[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CN1CCOCC1 ZINC001575919048 950605259 /nfs/dbraw/zinc/60/52/59/950605259.db2.gz FPHAVTKTORQIST-TZMCWYRMSA-N -1 3 389.435 0.739 20 0 GCADHM C[C@@H]1[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CN1CCOCC1 ZINC001575919048 950605275 /nfs/dbraw/zinc/60/52/75/950605275.db2.gz FPHAVTKTORQIST-TZMCWYRMSA-N -1 3 389.435 0.739 20 0 GCADHM C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575919102 950606303 /nfs/dbraw/zinc/60/63/03/950606303.db2.gz GIFWDOHMXZKCQN-KOLCDFICSA-N -1 3 384.375 0.804 20 0 GCADHM C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575919102 950606317 /nfs/dbraw/zinc/60/63/17/950606317.db2.gz GIFWDOHMXZKCQN-KOLCDFICSA-N -1 3 384.375 0.804 20 0 GCADHM C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000903 950616678 /nfs/dbraw/zinc/61/66/78/950616678.db2.gz HYTVJPIZNNTKTE-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H](CNC(=O)c1cc2c([nH]1)CCC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000903 950616691 /nfs/dbraw/zinc/61/66/91/950616691.db2.gz HYTVJPIZNNTKTE-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573871562 950617751 /nfs/dbraw/zinc/61/77/51/950617751.db2.gz SBQDQGBLOOIZAT-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573871562 950617767 /nfs/dbraw/zinc/61/77/67/950617767.db2.gz SBQDQGBLOOIZAT-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000847 950618575 /nfs/dbraw/zinc/61/85/75/950618575.db2.gz GVINRCUFTFFGEF-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000847 950618592 /nfs/dbraw/zinc/61/85/92/950618592.db2.gz GVINRCUFTFFGEF-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574174114 950621118 /nfs/dbraw/zinc/62/11/18/950621118.db2.gz PIXHDQSSJWBESK-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574174114 950621135 /nfs/dbraw/zinc/62/11/35/950621135.db2.gz PIXHDQSSJWBESK-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573871722 950622970 /nfs/dbraw/zinc/62/29/70/950622970.db2.gz UPLCXDUBRVVKAM-UHFFFAOYSA-N -1 3 388.476 0.315 20 0 GCADHM CC(C)(C)OCC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573871722 950622985 /nfs/dbraw/zinc/62/29/85/950622985.db2.gz UPLCXDUBRVVKAM-UHFFFAOYSA-N -1 3 388.476 0.315 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574759072 950626535 /nfs/dbraw/zinc/62/65/35/950626535.db2.gz KOPXFARDAUBTGB-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574759072 950626550 /nfs/dbraw/zinc/62/65/50/950626550.db2.gz KOPXFARDAUBTGB-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM CC(C)(C)OCC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573871790 950628041 /nfs/dbraw/zinc/62/80/41/950628041.db2.gz WXATZPGLZHMYCA-UHFFFAOYSA-N -1 3 388.476 0.315 20 0 GCADHM CC(C)(C)OCC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573871790 950628053 /nfs/dbraw/zinc/62/80/53/950628053.db2.gz WXATZPGLZHMYCA-UHFFFAOYSA-N -1 3 388.476 0.315 20 0 GCADHM CC(C)(C)OCC(=O)NCC1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573871998 950632683 /nfs/dbraw/zinc/63/26/83/950632683.db2.gz YJVPLBVMSADHMB-UHFFFAOYSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NCC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573871998 950632696 /nfs/dbraw/zinc/63/26/96/950632696.db2.gz YJVPLBVMSADHMB-UHFFFAOYSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575001671 950639900 /nfs/dbraw/zinc/63/99/00/950639900.db2.gz XQQLCSLFFYKUKO-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575001671 950639918 /nfs/dbraw/zinc/63/99/18/950639918.db2.gz XQQLCSLFFYKUKO-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574759864 950646275 /nfs/dbraw/zinc/64/62/75/950646275.db2.gz GDTAZAZWPJMXHB-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574759864 950646292 /nfs/dbraw/zinc/64/62/92/950646292.db2.gz GDTAZAZWPJMXHB-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)n1ccnc1 ZINC001574518313 950649303 /nfs/dbraw/zinc/64/93/03/950649303.db2.gz NHVMVNOLASAALA-CVGURMSBSA-N -1 3 379.428 0.660 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)n1ccnc1 ZINC001574518313 950649324 /nfs/dbraw/zinc/64/93/24/950649324.db2.gz NHVMVNOLASAALA-CVGURMSBSA-N -1 3 379.428 0.660 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)C1 ZINC001575623554 950651246 /nfs/dbraw/zinc/65/12/46/950651246.db2.gz COKHWBCGELBZHS-FZMZJTMJSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)C1 ZINC001575623554 950651257 /nfs/dbraw/zinc/65/12/57/950651257.db2.gz COKHWBCGELBZHS-FZMZJTMJSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574518684 950657257 /nfs/dbraw/zinc/65/72/57/950657257.db2.gz PPHVRKKWDRNRHV-RAIGVLPGSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574518684 950657264 /nfs/dbraw/zinc/65/72/64/950657264.db2.gz PPHVRKKWDRNRHV-RAIGVLPGSA-N -1 3 387.448 0.548 20 0 GCADHM CC1(C)CC(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575623814 950657788 /nfs/dbraw/zinc/65/77/88/950657788.db2.gz KCTFWOZHEVLATL-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC1(C)CC(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575623814 950657809 /nfs/dbraw/zinc/65/78/09/950657809.db2.gz KCTFWOZHEVLATL-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575002345 950659469 /nfs/dbraw/zinc/65/94/69/950659469.db2.gz SSHKCVJJSGRLGS-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575002345 950659483 /nfs/dbraw/zinc/65/94/83/950659483.db2.gz SSHKCVJJSGRLGS-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM CCN1CCN(Cc2ccc(CNC(=O)c3cn(CC(=O)[O-])nn3)cc2)CC1 ZINC001589744610 950661175 /nfs/dbraw/zinc/66/11/75/950661175.db2.gz WHCDBBPPJNECNB-UHFFFAOYSA-N -1 3 386.456 0.430 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574518951 950664723 /nfs/dbraw/zinc/66/47/23/950664723.db2.gz AILOGKCHSZGOSE-GFCCVEGCSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574518951 950664731 /nfs/dbraw/zinc/66/47/31/950664731.db2.gz AILOGKCHSZGOSE-GFCCVEGCSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574519127 950669444 /nfs/dbraw/zinc/66/94/44/950669444.db2.gz BJKMHUYOKCJXEF-LERXQTSPSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574519127 950669453 /nfs/dbraw/zinc/66/94/53/950669453.db2.gz BJKMHUYOKCJXEF-LERXQTSPSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574176092 950670870 /nfs/dbraw/zinc/67/08/70/950670870.db2.gz UGWLSINUBBTVLO-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574176092 950670881 /nfs/dbraw/zinc/67/08/81/950670881.db2.gz UGWLSINUBBTVLO-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574760667 950673256 /nfs/dbraw/zinc/67/32/56/950673256.db2.gz KYMXZHKONIJKJY-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574760667 950673267 /nfs/dbraw/zinc/67/32/67/950673267.db2.gz KYMXZHKONIJKJY-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574519153 950674121 /nfs/dbraw/zinc/67/41/21/950674121.db2.gz BVFYWBDNGBRLTP-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574519153 950674131 /nfs/dbraw/zinc/67/41/31/950674131.db2.gz BVFYWBDNGBRLTP-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574760635 950674077 /nfs/dbraw/zinc/67/40/77/950674077.db2.gz KIQWYNMZXJYUCB-VIFPVBQESA-N -1 3 389.395 0.011 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574760635 950674090 /nfs/dbraw/zinc/67/40/90/950674090.db2.gz KIQWYNMZXJYUCB-VIFPVBQESA-N -1 3 389.395 0.011 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574176438 950676240 /nfs/dbraw/zinc/67/62/40/950676240.db2.gz VYEZDSURMLVMHW-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574176438 950676254 /nfs/dbraw/zinc/67/62/54/950676254.db2.gz VYEZDSURMLVMHW-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncn1C ZINC001575925074 950679531 /nfs/dbraw/zinc/67/95/31/950679531.db2.gz GIFCVGHCPLWNBT-AAEUAGOBSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575005390 950681557 /nfs/dbraw/zinc/68/15/57/950681557.db2.gz CTUCDIRVHHPLAZ-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575005390 950681576 /nfs/dbraw/zinc/68/15/76/950681576.db2.gz CTUCDIRVHHPLAZ-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001576214889 950683793 /nfs/dbraw/zinc/68/37/93/950683793.db2.gz DDKQQQTUCMUNHO-ZBEGNZNMSA-N -1 3 381.444 0.903 20 0 GCADHM CC(C)CCC(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574178904 950690292 /nfs/dbraw/zinc/69/02/92/950690292.db2.gz DNGSTACMVAUQFT-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)CCC(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574178904 950690306 /nfs/dbraw/zinc/69/03/06/950690306.db2.gz DNGSTACMVAUQFT-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001575005652 950693725 /nfs/dbraw/zinc/69/37/25/950693725.db2.gz KBDFWUYKTKTEAN-INIZCTEOSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574762203 950704253 /nfs/dbraw/zinc/70/42/53/950704253.db2.gz XECAWDWPTSKTMT-JTQLQIEISA-N -1 3 384.400 0.455 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574762203 950704261 /nfs/dbraw/zinc/70/42/61/950704261.db2.gz XECAWDWPTSKTMT-JTQLQIEISA-N -1 3 384.400 0.455 20 0 GCADHM C[C@@H](CNC(=O)c1cc2ncccn2n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575005871 950705255 /nfs/dbraw/zinc/70/52/55/950705255.db2.gz OZDNIWAFLHTLFE-NSHDSACASA-N -1 3 378.400 0.559 20 0 GCADHM C[C@@H](CNC(=O)c1cc2ncccn2n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575005871 950705267 /nfs/dbraw/zinc/70/52/67/950705267.db2.gz OZDNIWAFLHTLFE-NSHDSACASA-N -1 3 378.400 0.559 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575626345 950709399 /nfs/dbraw/zinc/70/93/99/950709399.db2.gz YUWSRTROTUVLJU-CHWSQXEVSA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575626345 950709414 /nfs/dbraw/zinc/70/94/14/950709414.db2.gz YUWSRTROTUVLJU-CHWSQXEVSA-N -1 3 385.472 1.000 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576215749 950709803 /nfs/dbraw/zinc/70/98/03/950709803.db2.gz GFQSUUDIBVVEFW-UWVGGRQHSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn(CCF)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574763457 950713368 /nfs/dbraw/zinc/71/33/68/950713368.db2.gz BHGJDQIZWQKTLN-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn(CCF)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574763457 950713382 /nfs/dbraw/zinc/71/33/82/950713382.db2.gz BHGJDQIZWQKTLN-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575006240 950714458 /nfs/dbraw/zinc/71/44/58/950714458.db2.gz UBMVXZHKWZGUOK-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C1CCOCC1)C1CC1 ZINC001575006240 950714478 /nfs/dbraw/zinc/71/44/78/950714478.db2.gz UBMVXZHKWZGUOK-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574179705 950714990 /nfs/dbraw/zinc/71/49/90/950714990.db2.gz KVOHAPWRNKKZRE-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574179705 950715007 /nfs/dbraw/zinc/71/50/07/950715007.db2.gz KVOHAPWRNKKZRE-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001575006200 950716117 /nfs/dbraw/zinc/71/61/17/950716117.db2.gz RZZWMWXHZASDNA-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001575006200 950716128 /nfs/dbraw/zinc/71/61/28/950716128.db2.gz RZZWMWXHZASDNA-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001576215916 950719427 /nfs/dbraw/zinc/71/94/27/950719427.db2.gz HDGIQJQQPSTGAP-ZANVPECISA-N -1 3 384.448 0.652 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)no1 ZINC001573879461 950724613 /nfs/dbraw/zinc/72/46/13/950724613.db2.gz BZZGSFKIRYCBEO-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)no1 ZINC001573879461 950724629 /nfs/dbraw/zinc/72/46/29/950724629.db2.gz BZZGSFKIRYCBEO-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001575006850 950724945 /nfs/dbraw/zinc/72/49/45/950724945.db2.gz XDVWKIDEFCEAHZ-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001575006850 950724954 /nfs/dbraw/zinc/72/49/54/950724954.db2.gz XDVWKIDEFCEAHZ-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)[nH]n1 ZINC001573879633 950726869 /nfs/dbraw/zinc/72/68/69/950726869.db2.gz IBHIOUBKXZHHOO-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)[nH]n1 ZINC001573879633 950726885 /nfs/dbraw/zinc/72/68/85/950726885.db2.gz IBHIOUBKXZHHOO-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001573879545 950727430 /nfs/dbraw/zinc/72/74/30/950727430.db2.gz FBNAPHVATFYQJM-HBJVGIJOSA-N -1 3 389.435 0.749 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573879545 950727443 /nfs/dbraw/zinc/72/74/43/950727443.db2.gz FBNAPHVATFYQJM-HBJVGIJOSA-N -1 3 389.435 0.749 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574763651 950727875 /nfs/dbraw/zinc/72/78/75/950727875.db2.gz HGLLMCFZVWIJFU-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574763651 950727893 /nfs/dbraw/zinc/72/78/93/950727893.db2.gz HGLLMCFZVWIJFU-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574763753 950730284 /nfs/dbraw/zinc/73/02/84/950730284.db2.gz JRKAEXHTPQZMHX-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574763753 950730297 /nfs/dbraw/zinc/73/02/97/950730297.db2.gz JRKAEXHTPQZMHX-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CCC(=O)NCCN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574180642 950732130 /nfs/dbraw/zinc/73/21/30/950732130.db2.gz VXSHFMSIASEGBU-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)CCC(=O)NCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574180642 950732138 /nfs/dbraw/zinc/73/21/38/950732138.db2.gz VXSHFMSIASEGBU-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn(C)n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574763847 950733276 /nfs/dbraw/zinc/73/32/76/950733276.db2.gz MACRBJZQYUWWFX-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn(C)n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574763847 950733284 /nfs/dbraw/zinc/73/32/84/950733284.db2.gz MACRBJZQYUWWFX-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001574763811 950734781 /nfs/dbraw/zinc/73/47/81/950734781.db2.gz LLJHHUKMOCILOH-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001574763811 950734794 /nfs/dbraw/zinc/73/47/94/950734794.db2.gz LLJHHUKMOCILOH-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574180939 950734917 /nfs/dbraw/zinc/73/49/17/950734917.db2.gz GZCPWGVGIYOXDF-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574180939 950734928 /nfs/dbraw/zinc/73/49/28/950734928.db2.gz GZCPWGVGIYOXDF-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)[nH]n1 ZINC001573879941 950735384 /nfs/dbraw/zinc/73/53/84/950735384.db2.gz PKTAZQSOIIVXGZ-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)[nH]n1 ZINC001573879941 950735398 /nfs/dbraw/zinc/73/53/98/950735398.db2.gz PKTAZQSOIIVXGZ-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nnn[n-]2)[nH]n1 ZINC001573879914 950735628 /nfs/dbraw/zinc/73/56/28/950735628.db2.gz OOMWNBBKCUTVSV-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)[nH]n1 ZINC001573879914 950735647 /nfs/dbraw/zinc/73/56/47/950735647.db2.gz OOMWNBBKCUTVSV-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001573879939 950737388 /nfs/dbraw/zinc/73/73/88/950737388.db2.gz PGXJRDPBQMUPAN-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1cc(C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001573879939 950737401 /nfs/dbraw/zinc/73/74/01/950737401.db2.gz PGXJRDPBQMUPAN-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1cc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)[nH]n1 ZINC001573880231 950739235 /nfs/dbraw/zinc/73/92/35/950739235.db2.gz UXNRYGVLJJAUIW-UHFFFAOYSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574520563 950739220 /nfs/dbraw/zinc/73/92/20/950739220.db2.gz URGMRMGHGLSKOJ-ZYHUDNBSSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574520563 950739233 /nfs/dbraw/zinc/73/92/33/950739233.db2.gz URGMRMGHGLSKOJ-ZYHUDNBSSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576216658 950739753 /nfs/dbraw/zinc/73/97/53/950739753.db2.gz FEAVUHHXNATUCO-GZMMTYOYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576216658 950739770 /nfs/dbraw/zinc/73/97/70/950739770.db2.gz FEAVUHHXNATUCO-GZMMTYOYSA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574181067 950741409 /nfs/dbraw/zinc/74/14/09/950741409.db2.gz KFVMCTHLORQFPE-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574181067 950741420 /nfs/dbraw/zinc/74/14/20/950741420.db2.gz KFVMCTHLORQFPE-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCOCC1CC1 ZINC001575008307 950741700 /nfs/dbraw/zinc/74/17/00/950741700.db2.gz DJWQFACXFBTXIB-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCOCC1CC1 ZINC001575008307 950741713 /nfs/dbraw/zinc/74/17/13/950741713.db2.gz DJWQFACXFBTXIB-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3cnc(-c4nnn[n-]4)cn3)c2C1 ZINC001576216946 950743851 /nfs/dbraw/zinc/74/38/51/950743851.db2.gz KKPZEUWEGIYMBX-SNVBAGLBSA-N -1 3 382.432 0.371 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COc1ccccc1 ZINC001575008280 950744395 /nfs/dbraw/zinc/74/43/95/950744395.db2.gz DGRFQOOSQLFVNM-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COc1ccccc1 ZINC001575008280 950744415 /nfs/dbraw/zinc/74/44/15/950744415.db2.gz DGRFQOOSQLFVNM-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)no1 ZINC001573880260 950747101 /nfs/dbraw/zinc/74/71/01/950747101.db2.gz WVCICGFLTJFUBN-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)no1 ZINC001573880260 950747114 /nfs/dbraw/zinc/74/71/14/950747114.db2.gz WVCICGFLTJFUBN-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575008501 950748049 /nfs/dbraw/zinc/74/80/49/950748049.db2.gz FVCZGXFVARTKLW-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008501 950748060 /nfs/dbraw/zinc/74/80/60/950748060.db2.gz FVCZGXFVARTKLW-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575008449 950748208 /nfs/dbraw/zinc/74/82/08/950748208.db2.gz FGLWRMPDKJGOQV-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001575008449 950748227 /nfs/dbraw/zinc/74/82/27/950748227.db2.gz FGLWRMPDKJGOQV-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574764245 950748707 /nfs/dbraw/zinc/74/87/07/950748707.db2.gz RPQLKHSDTUDUMO-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574764245 950748725 /nfs/dbraw/zinc/74/87/25/950748725.db2.gz RPQLKHSDTUDUMO-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574181735 950749226 /nfs/dbraw/zinc/74/92/26/950749226.db2.gz PBYBVTYRZMQJPD-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574181735 950749245 /nfs/dbraw/zinc/74/92/45/950749245.db2.gz PBYBVTYRZMQJPD-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncnc1 ZINC001575008649 950751393 /nfs/dbraw/zinc/75/13/93/950751393.db2.gz GQJQWWSWFUQLOJ-WDEREUQCSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncnc1 ZINC001575008649 950751411 /nfs/dbraw/zinc/75/14/11/950751411.db2.gz GQJQWWSWFUQLOJ-WDEREUQCSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnnn1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574764445 950752634 /nfs/dbraw/zinc/75/26/34/950752634.db2.gz SWBKVAAIFMMJHC-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnnn1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574764445 950752657 /nfs/dbraw/zinc/75/26/57/950752657.db2.gz SWBKVAAIFMMJHC-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001575008712 950752749 /nfs/dbraw/zinc/75/27/49/950752749.db2.gz HBBBPVPWUGLVCS-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001575008712 950752760 /nfs/dbraw/zinc/75/27/60/950752760.db2.gz HBBBPVPWUGLVCS-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001575008710 950752916 /nfs/dbraw/zinc/75/29/16/950752916.db2.gz HBBBPVPWUGLVCS-MNOVXSKESA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001575008710 950752929 /nfs/dbraw/zinc/75/29/29/950752929.db2.gz HBBBPVPWUGLVCS-MNOVXSKESA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576217268 950754200 /nfs/dbraw/zinc/75/42/00/950754200.db2.gz LIGABLZLUNFRFX-LKFCYVNXSA-N -1 3 383.416 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@H]1CCCOC1 ZINC001575008826 950756612 /nfs/dbraw/zinc/75/66/12/950756612.db2.gz ITZQWIOCDVEODC-QWHCGFSZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@H]1CCCOC1 ZINC001575008826 950756629 /nfs/dbraw/zinc/75/66/29/950756629.db2.gz ITZQWIOCDVEODC-QWHCGFSZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NCC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574182126 950757787 /nfs/dbraw/zinc/75/77/87/950757787.db2.gz VHTWRESYLUNMCS-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)NCC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574182126 950757804 /nfs/dbraw/zinc/75/78/04/950757804.db2.gz VHTWRESYLUNMCS-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574764659 950758286 /nfs/dbraw/zinc/75/82/86/950758286.db2.gz VQRYGGGKHWMJNZ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575630263 950758254 /nfs/dbraw/zinc/75/82/54/950758254.db2.gz ZMESTLPTGNKUND-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575630263 950758275 /nfs/dbraw/zinc/75/82/75/950758275.db2.gz ZMESTLPTGNKUND-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574764659 950758314 /nfs/dbraw/zinc/75/83/14/950758314.db2.gz VQRYGGGKHWMJNZ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)CCC(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574182106 950758974 /nfs/dbraw/zinc/75/89/74/950758974.db2.gz URDUNNPBVXUVBV-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574182106 950758986 /nfs/dbraw/zinc/75/89/86/950758986.db2.gz URDUNNPBVXUVBV-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H](C)n1ccnc1 ZINC001575008885 950759556 /nfs/dbraw/zinc/75/95/56/950759556.db2.gz JPBITHREJZXZEI-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H](C)n1ccnc1 ZINC001575008885 950759572 /nfs/dbraw/zinc/75/95/72/950759572.db2.gz JPBITHREJZXZEI-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001575008883 950760066 /nfs/dbraw/zinc/76/00/66/950760066.db2.gz JPBITHREJZXZEI-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001575008883 950760088 /nfs/dbraw/zinc/76/00/88/950760088.db2.gz JPBITHREJZXZEI-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1ccncn1 ZINC001575008845 950760895 /nfs/dbraw/zinc/76/08/95/950760895.db2.gz IXXJICQEHWRGJT-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1ccncn1 ZINC001575008845 950760909 /nfs/dbraw/zinc/76/09/09/950760909.db2.gz IXXJICQEHWRGJT-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575008946 950764829 /nfs/dbraw/zinc/76/48/29/950764829.db2.gz KYSWOUBXAYKPCY-VUAROTFHSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001575008946 950764848 /nfs/dbraw/zinc/76/48/48/950764848.db2.gz KYSWOUBXAYKPCY-VUAROTFHSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574764959 950768138 /nfs/dbraw/zinc/76/81/38/950768138.db2.gz APDWHELWYDALLS-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574764959 950768149 /nfs/dbraw/zinc/76/81/49/950768149.db2.gz APDWHELWYDALLS-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNc1cc(Cl)c(=O)[nH]n1 ZINC001575009102 950776333 /nfs/dbraw/zinc/77/63/33/950776333.db2.gz NRXRCINKLCJMFQ-ZETCQYMHSA-N -1 3 377.796 0.822 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNc1cc(Cl)c(=O)[nH]n1 ZINC001575009102 950776353 /nfs/dbraw/zinc/77/63/53/950776353.db2.gz NRXRCINKLCJMFQ-ZETCQYMHSA-N -1 3 377.796 0.822 20 0 GCADHM CC(C)(C)c1cnc(CN[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001573884067 950783909 /nfs/dbraw/zinc/78/39/09/950783909.db2.gz FVPICLPVNDKJNZ-NSHDSACASA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cnc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001573884067 950783924 /nfs/dbraw/zinc/78/39/24/950783924.db2.gz FVPICLPVNDKJNZ-NSHDSACASA-N -1 3 388.432 0.361 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)C1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574522142 950788775 /nfs/dbraw/zinc/78/87/75/950788775.db2.gz IRHPDABPZDQECK-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)C1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574522142 950788790 /nfs/dbraw/zinc/78/87/90/950788790.db2.gz IRHPDABPZDQECK-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575632106 950789039 /nfs/dbraw/zinc/78/90/39/950789039.db2.gz ASJSESDZJIDUTC-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575632106 950789055 /nfs/dbraw/zinc/78/90/55/950789055.db2.gz ASJSESDZJIDUTC-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001573884232 950791230 /nfs/dbraw/zinc/79/12/30/950791230.db2.gz BJASKEFWRWWOLL-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001573884232 950791239 /nfs/dbraw/zinc/79/12/39/950791239.db2.gz BJASKEFWRWWOLL-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573884265 950791483 /nfs/dbraw/zinc/79/14/83/950791483.db2.gz CAEMCRKYPVUHOW-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573884265 950791494 /nfs/dbraw/zinc/79/14/94/950791494.db2.gz CAEMCRKYPVUHOW-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1OCCCO1 ZINC001574522501 950791777 /nfs/dbraw/zinc/79/17/77/950791777.db2.gz JQSYKRQMICLGRX-QWRGUYRKSA-N -1 3 391.432 0.361 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1OCCCO1 ZINC001574522501 950791785 /nfs/dbraw/zinc/79/17/85/950791785.db2.gz JQSYKRQMICLGRX-QWRGUYRKSA-N -1 3 391.432 0.361 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cn(C)nc1Cl ZINC001575009767 950791979 /nfs/dbraw/zinc/79/19/79/950791979.db2.gz WMUXIYBKWOJOJJ-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cn(C)nc1Cl ZINC001575009767 950791993 /nfs/dbraw/zinc/79/19/93/950791993.db2.gz WMUXIYBKWOJOJJ-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1OCCCO1 ZINC001574522499 950793030 /nfs/dbraw/zinc/79/30/30/950793030.db2.gz JQSYKRQMICLGRX-GHMZBOCLSA-N -1 3 391.432 0.361 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1OCCCO1 ZINC001574522499 950793044 /nfs/dbraw/zinc/79/30/44/950793044.db2.gz JQSYKRQMICLGRX-GHMZBOCLSA-N -1 3 391.432 0.361 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575009630 950793202 /nfs/dbraw/zinc/79/32/02/950793202.db2.gz VTIGGNKBSXHIMZ-JTQLQIEISA-N -1 3 385.432 0.837 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575009630 950793219 /nfs/dbraw/zinc/79/32/19/950793219.db2.gz VTIGGNKBSXHIMZ-JTQLQIEISA-N -1 3 385.432 0.837 20 0 GCADHM C[C@@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574765648 950796394 /nfs/dbraw/zinc/79/63/94/950796394.db2.gz JAPAWEIQXIDGRS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765648 950796412 /nfs/dbraw/zinc/79/64/12/950796412.db2.gz JAPAWEIQXIDGRS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1nnn(C)n1 ZINC001575930707 950800959 /nfs/dbraw/zinc/80/09/59/950800959.db2.gz GMIKWKAYTXCUSD-XVKPBYJWSA-N -1 3 389.811 0.154 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1nnn(C)n1 ZINC001575930707 950800967 /nfs/dbraw/zinc/80/09/67/950800967.db2.gz GMIKWKAYTXCUSD-XVKPBYJWSA-N -1 3 389.811 0.154 20 0 GCADHM C[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCN1c1cnccn1 ZINC001576218986 950800880 /nfs/dbraw/zinc/80/08/80/950800880.db2.gz NFXAXQZEVGHDFB-LRDDRELGSA-N -1 3 380.412 0.427 20 0 GCADHM C[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCN1c1cnccn1 ZINC001576218986 950800911 /nfs/dbraw/zinc/80/09/11/950800911.db2.gz NFXAXQZEVGHDFB-LRDDRELGSA-N -1 3 380.412 0.427 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575632507 950802179 /nfs/dbraw/zinc/80/21/79/950802179.db2.gz KFMPAMPSHUKZBI-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ocnc1C1CC1 ZINC001575009882 950802232 /nfs/dbraw/zinc/80/22/32/950802232.db2.gz YGLZANVHTSMQES-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1ocnc1C1CC1 ZINC001575009882 950802262 /nfs/dbraw/zinc/80/22/62/950802262.db2.gz YGLZANVHTSMQES-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575632507 950802204 /nfs/dbraw/zinc/80/22/04/950802204.db2.gz KFMPAMPSHUKZBI-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC(F)F ZINC001574523119 950808661 /nfs/dbraw/zinc/80/86/61/950808661.db2.gz MDYDIMPYYMEMLB-BDAKNGLRSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC(F)F ZINC001574523119 950808677 /nfs/dbraw/zinc/80/86/77/950808677.db2.gz MDYDIMPYYMEMLB-BDAKNGLRSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)Oc1ccccc1 ZINC001575010105 950809756 /nfs/dbraw/zinc/80/97/56/950809756.db2.gz AIBNOQKBJFAVMN-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)Oc1ccccc1 ZINC001575010105 950809767 /nfs/dbraw/zinc/80/97/67/950809767.db2.gz AIBNOQKBJFAVMN-VXGBXAGGSA-N -1 3 383.412 0.897 20 0 GCADHM CC(C)(C)c1nnc(CN2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)[nH]1 ZINC001573885009 950812323 /nfs/dbraw/zinc/81/23/23/950812323.db2.gz LTZFOZQVOZJEFP-UHFFFAOYSA-N -1 3 384.448 0.568 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001573885040 950812599 /nfs/dbraw/zinc/81/25/99/950812599.db2.gz NEVOKKJRVUOCIS-PHIMTYICSA-N -1 3 385.432 0.926 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001573885040 950812616 /nfs/dbraw/zinc/81/26/16/950812616.db2.gz NEVOKKJRVUOCIS-PHIMTYICSA-N -1 3 385.432 0.926 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575010173 950813430 /nfs/dbraw/zinc/81/34/30/950813430.db2.gz BSKNZRJFXCOBRN-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575010173 950813442 /nfs/dbraw/zinc/81/34/42/950813442.db2.gz BSKNZRJFXCOBRN-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)c1cnc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001573885160 950814952 /nfs/dbraw/zinc/81/49/52/950814952.db2.gz UTIROCBPZOBBNL-LLVKDONJSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cnc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001573885160 950814981 /nfs/dbraw/zinc/81/49/81/950814981.db2.gz UTIROCBPZOBBNL-LLVKDONJSA-N -1 3 388.432 0.361 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576219790 950816857 /nfs/dbraw/zinc/81/68/57/950816857.db2.gz UQBFEFONJRQVRW-ZUZCIYMTSA-N -1 3 382.432 0.616 20 0 GCADHM CC(C)(C)c1nc(C(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)co1 ZINC001573885158 950818468 /nfs/dbraw/zinc/81/84/68/950818468.db2.gz URWOELVNUHVLGI-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1nc(C(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)co1 ZINC001573885158 950818496 /nfs/dbraw/zinc/81/84/96/950818496.db2.gz URWOELVNUHVLGI-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001573885120 950818849 /nfs/dbraw/zinc/81/88/49/950818849.db2.gz PMYZCGDXRUNGAI-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001573885120 950818875 /nfs/dbraw/zinc/81/88/75/950818875.db2.gz PMYZCGDXRUNGAI-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575010304 950820352 /nfs/dbraw/zinc/82/03/52/950820352.db2.gz CTJCCHPYVAMBNG-QMHNFZFOSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575010304 950820371 /nfs/dbraw/zinc/82/03/71/950820371.db2.gz CTJCCHPYVAMBNG-QMHNFZFOSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1csnn1 ZINC001575932216 950821818 /nfs/dbraw/zinc/82/18/18/950821818.db2.gz KQQGQXHKVVMCMS-GMSGAONNSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1csnn1 ZINC001575932216 950821838 /nfs/dbraw/zinc/82/18/38/950821838.db2.gz KQQGQXHKVVMCMS-GMSGAONNSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575010611 950825717 /nfs/dbraw/zinc/82/57/17/950825717.db2.gz GNHJHSJJYOGBDU-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cnn(CCF)c1 ZINC001575010611 950825738 /nfs/dbraw/zinc/82/57/38/950825738.db2.gz GNHJHSJJYOGBDU-JTQLQIEISA-N -1 3 389.395 0.251 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nnsc1Cl ZINC001575010602 950826509 /nfs/dbraw/zinc/82/65/09/950826509.db2.gz GFGMRXICIOLDSA-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nnsc1Cl ZINC001575010602 950826540 /nfs/dbraw/zinc/82/65/40/950826540.db2.gz GFGMRXICIOLDSA-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001575010591 950827472 /nfs/dbraw/zinc/82/74/72/950827472.db2.gz GBCNNRGBJZYTOI-JTQLQIEISA-N -1 3 385.432 0.141 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001575010591 950827494 /nfs/dbraw/zinc/82/74/94/950827494.db2.gz GBCNNRGBJZYTOI-JTQLQIEISA-N -1 3 385.432 0.141 20 0 GCADHM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574766879 950828560 /nfs/dbraw/zinc/82/85/60/950828560.db2.gz NRLKTORVOBHXDJ-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766879 950828579 /nfs/dbraw/zinc/82/85/79/950828579.db2.gz NRLKTORVOBHXDJ-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM CC(C)(C)c1nnc(CN2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)o1 ZINC001573885549 950830535 /nfs/dbraw/zinc/83/05/35/950830535.db2.gz UAMMDSCBBPIGPK-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM CC(C)(C)c1nnc(CN2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)o1 ZINC001573885549 950830561 /nfs/dbraw/zinc/83/05/61/950830561.db2.gz UAMMDSCBBPIGPK-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001573885807 950831856 /nfs/dbraw/zinc/83/18/56/950831856.db2.gz UVHSSUQNFLAOIP-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001573885807 950831878 /nfs/dbraw/zinc/83/18/78/950831878.db2.gz UVHSSUQNFLAOIP-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1coc(C2CC2)n1 ZINC001575010656 950832748 /nfs/dbraw/zinc/83/27/48/950832748.db2.gz IAAOQFOOVYDMJH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1coc(C2CC2)n1 ZINC001575010656 950832766 /nfs/dbraw/zinc/83/27/66/950832766.db2.gz IAAOQFOOVYDMJH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574187775 950835469 /nfs/dbraw/zinc/83/54/69/950835469.db2.gz QBGYATNZPBOGIY-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574187775 950835493 /nfs/dbraw/zinc/83/54/93/950835493.db2.gz QBGYATNZPBOGIY-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)c1nnc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)o1 ZINC001573885848 950836078 /nfs/dbraw/zinc/83/60/78/950836078.db2.gz VORDSNGIWRLOLN-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM CC(C)(C)c1nnc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)o1 ZINC001573885848 950836099 /nfs/dbraw/zinc/83/60/99/950836099.db2.gz VORDSNGIWRLOLN-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)co1 ZINC001573885990 950837054 /nfs/dbraw/zinc/83/70/54/950837054.db2.gz ZSQFUJNZGWKIBM-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)co1 ZINC001573885990 950837077 /nfs/dbraw/zinc/83/70/77/950837077.db2.gz ZSQFUJNZGWKIBM-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM C[C@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767289 950839760 /nfs/dbraw/zinc/83/97/60/950839760.db2.gz PLZVRQXXCNRFAV-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767289 950839779 /nfs/dbraw/zinc/83/97/79/950839779.db2.gz PLZVRQXXCNRFAV-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)CC(=O)NCCC(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767173 950840653 /nfs/dbraw/zinc/84/06/53/950840653.db2.gz MSSXHIFPTOKOFY-LBPRGKRZSA-N -1 3 390.492 0.797 20 0 GCADHM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)nc3)nc2C1 ZINC001576220963 950842279 /nfs/dbraw/zinc/84/22/79/950842279.db2.gz YIYYVFIWZWTMQY-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)nc3)nc2C1 ZINC001576220963 950842290 /nfs/dbraw/zinc/84/22/90/950842290.db2.gz YIYYVFIWZWTMQY-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575011018 950843721 /nfs/dbraw/zinc/84/37/21/950843721.db2.gz LOXKYMVAFDAPHY-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575011018 950843737 /nfs/dbraw/zinc/84/37/37/950843737.db2.gz LOXKYMVAFDAPHY-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)cn3)c2C1 ZINC001576221056 950845230 /nfs/dbraw/zinc/84/52/30/950845230.db2.gz ZCBKLWCDZJMISO-LLVKDONJSA-N -1 3 381.444 0.976 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573887659 950850290 /nfs/dbraw/zinc/85/02/90/950850290.db2.gz HUKMREKKLIYFCP-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573887659 950850305 /nfs/dbraw/zinc/85/03/05/950850305.db2.gz HUKMREKKLIYFCP-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1nsc(NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573887519 950850659 /nfs/dbraw/zinc/85/06/59/950850659.db2.gz GDHQVMDDIYGBHT-SECBINFHSA-N -1 3 391.461 0.547 20 0 GCADHM CC(C)(C)c1nsc(NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573887519 950850682 /nfs/dbraw/zinc/85/06/82/950850682.db2.gz GDHQVMDDIYGBHT-SECBINFHSA-N -1 3 391.461 0.547 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1nccnc1N ZINC001575934189 950851093 /nfs/dbraw/zinc/85/10/93/950851093.db2.gz QOSNKTBNPRFTNA-LDYMZIIASA-N -1 3 384.379 0.488 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1nccnc1N ZINC001575934189 950851110 /nfs/dbraw/zinc/85/11/10/950851110.db2.gz QOSNKTBNPRFTNA-LDYMZIIASA-N -1 3 384.379 0.488 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573888187 950865097 /nfs/dbraw/zinc/86/50/97/950865097.db2.gz ROGCEJAEESQWFF-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573888187 950865105 /nfs/dbraw/zinc/86/51/05/950865105.db2.gz ROGCEJAEESQWFF-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM CC1(C)C[C@@H](O)CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC001575639425 950867499 /nfs/dbraw/zinc/86/74/99/950867499.db2.gz BKOAHHHIRJJCDN-CYBMUJFWSA-N -1 3 382.428 0.868 20 0 GCADHM CC1(C)C[C@@H](O)CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC001575639425 950867509 /nfs/dbraw/zinc/86/75/09/950867509.db2.gz BKOAHHHIRJJCDN-CYBMUJFWSA-N -1 3 382.428 0.868 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001574189242 950871971 /nfs/dbraw/zinc/87/19/71/950871971.db2.gz GJXWGFLPEQTHGO-WFASDCNBSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001574189242 950871984 /nfs/dbraw/zinc/87/19/84/950871984.db2.gz GJXWGFLPEQTHGO-WFASDCNBSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001574189270 950876628 /nfs/dbraw/zinc/87/66/28/950876628.db2.gz HILKYYFJVHHNJT-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001574189270 950876646 /nfs/dbraw/zinc/87/66/46/950876646.db2.gz HILKYYFJVHHNJT-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)n1ncnc1CN[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573893384 950878540 /nfs/dbraw/zinc/87/85/40/950878540.db2.gz CWQHOFWWROFMGQ-LLVKDONJSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576226505 950888063 /nfs/dbraw/zinc/88/80/63/950888063.db2.gz BWWGSQGYFPMKEM-SMDDNHRTSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576226505 950888071 /nfs/dbraw/zinc/88/80/71/950888071.db2.gz BWWGSQGYFPMKEM-SMDDNHRTSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCCCCC1 ZINC001575012377 950889260 /nfs/dbraw/zinc/88/92/60/950889260.db2.gz ZGODEMHZZDBGPQ-CYBMUJFWSA-N -1 3 388.476 0.648 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCCCCC1 ZINC001575012378 950890923 /nfs/dbraw/zinc/89/09/23/950890923.db2.gz ZGODEMHZZDBGPQ-ZDUSSCGKSA-N -1 3 388.476 0.648 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccn2c1CCCC2 ZINC001575014071 950895532 /nfs/dbraw/zinc/89/55/32/950895532.db2.gz CSRLFEBCBLCASM-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccn2c1CCCC2 ZINC001575014071 950895550 /nfs/dbraw/zinc/89/55/50/950895550.db2.gz CSRLFEBCBLCASM-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001574189832 950896616 /nfs/dbraw/zinc/89/66/16/950896616.db2.gz RSPCJILUBPEDGA-UKRRQHHQSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001574189832 950896632 /nfs/dbraw/zinc/89/66/32/950896632.db2.gz RSPCJILUBPEDGA-UKRRQHHQSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575935867 950896997 /nfs/dbraw/zinc/89/69/97/950896997.db2.gz BKXINPISEAAKFZ-PWSUYJOCSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575935867 950897013 /nfs/dbraw/zinc/89/70/13/950897013.db2.gz BKXINPISEAAKFZ-PWSUYJOCSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cc(C2CC2)no1 ZINC001575014108 950897999 /nfs/dbraw/zinc/89/79/99/950897999.db2.gz DDUBVROPDAKROK-VIFPVBQESA-N -1 3 384.400 0.537 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cc(C2CC2)no1 ZINC001575014108 950898021 /nfs/dbraw/zinc/89/80/21/950898021.db2.gz DDUBVROPDAKROK-VIFPVBQESA-N -1 3 384.400 0.537 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573893750 950898464 /nfs/dbraw/zinc/89/84/64/950898464.db2.gz USAQFBNCZWXOFH-LLVKDONJSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573893750 950898480 /nfs/dbraw/zinc/89/84/80/950898480.db2.gz USAQFBNCZWXOFH-LLVKDONJSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2sccc2-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573893874 950909339 /nfs/dbraw/zinc/90/93/39/950909339.db2.gz AAWKPMQWIFWPGC-UHFFFAOYSA-N -1 3 375.414 0.876 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2sccc2-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573893874 950909357 /nfs/dbraw/zinc/90/93/57/950909357.db2.gz AAWKPMQWIFWPGC-UHFFFAOYSA-N -1 3 375.414 0.876 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001575014775 950914956 /nfs/dbraw/zinc/91/49/56/950914956.db2.gz IYCFYHBPESCGKJ-ONGXEEELSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574527913 950914967 /nfs/dbraw/zinc/91/49/67/950914967.db2.gz ILQZVEMOCWDQIO-JGVFFNPUSA-N -1 3 390.429 0.684 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001575014773 950916059 /nfs/dbraw/zinc/91/60/59/950916059.db2.gz IYCFYHBPESCGKJ-KOLCDFICSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccn2ccnc2c1 ZINC001575015025 950918773 /nfs/dbraw/zinc/91/87/73/950918773.db2.gz LWQKJONUFMIGSJ-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccn2ccnc2c1 ZINC001575015025 950918785 /nfs/dbraw/zinc/91/87/85/950918785.db2.gz LWQKJONUFMIGSJ-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575936650 950921824 /nfs/dbraw/zinc/92/18/24/950921824.db2.gz HCNKUUJCLCNBQP-CABZTGNLSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575936650 950921837 /nfs/dbraw/zinc/92/18/37/950921837.db2.gz HCNKUUJCLCNBQP-CABZTGNLSA-N -1 3 382.384 0.669 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c(=O)[nH]c1=O ZINC001573894145 950923401 /nfs/dbraw/zinc/92/34/01/950923401.db2.gz NMNIPJOTLLVHRI-UHFFFAOYSA-N -1 3 387.375 0.953 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c(=O)[nH]c1=O ZINC001573894145 950923412 /nfs/dbraw/zinc/92/34/12/950923412.db2.gz NMNIPJOTLLVHRI-UHFFFAOYSA-N -1 3 387.375 0.953 20 0 GCADHM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576227911 950924932 /nfs/dbraw/zinc/92/49/32/950924932.db2.gz FMSZRUNCOVVUJP-MFKMUULPSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576227911 950924950 /nfs/dbraw/zinc/92/49/50/950924950.db2.gz FMSZRUNCOVVUJP-MFKMUULPSA-N -1 3 391.407 0.290 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001574191435 950926215 /nfs/dbraw/zinc/92/62/15/950926215.db2.gz IWLDZSKGUHPHIK-ZIAGYGMSSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001574191435 950926231 /nfs/dbraw/zinc/92/62/31/950926231.db2.gz IWLDZSKGUHPHIK-ZIAGYGMSSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)n1cc(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC001573894511 950928926 /nfs/dbraw/zinc/92/89/26/950928926.db2.gz TZCDYMXAJVTCJV-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM CC(C)(C)n1cc(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC001573894511 950928941 /nfs/dbraw/zinc/92/89/41/950928941.db2.gz TZCDYMXAJVTCJV-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001574191434 950929158 /nfs/dbraw/zinc/92/91/58/950929158.db2.gz IWLDZSKGUHPHIK-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001575015305 950929073 /nfs/dbraw/zinc/92/90/73/950929073.db2.gz OYWFMEZVMFBEDM-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001575015305 950929082 /nfs/dbraw/zinc/92/90/82/950929082.db2.gz OYWFMEZVMFBEDM-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001574191434 950929175 /nfs/dbraw/zinc/92/91/75/950929175.db2.gz IWLDZSKGUHPHIK-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)n1cc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)nn1 ZINC001573894538 950931401 /nfs/dbraw/zinc/93/14/01/950931401.db2.gz VPUJGDCPWXPLMV-UHFFFAOYSA-N -1 3 384.448 0.499 20 0 GCADHM CC(C)(C)n1cc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)nn1 ZINC001573894538 950931411 /nfs/dbraw/zinc/93/14/11/950931411.db2.gz VPUJGDCPWXPLMV-UHFFFAOYSA-N -1 3 384.448 0.499 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574192333 950935988 /nfs/dbraw/zinc/93/59/88/950935988.db2.gz MXINWHHWEHQMCV-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574192333 950936005 /nfs/dbraw/zinc/93/60/05/950936005.db2.gz MXINWHHWEHQMCV-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc2c(c1)CCO2 ZINC001575015436 950936397 /nfs/dbraw/zinc/93/63/97/950936397.db2.gz QMDYFZBRASBAFR-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc2c(c1)CCO2 ZINC001575015436 950936413 /nfs/dbraw/zinc/93/64/13/950936413.db2.gz QMDYFZBRASBAFR-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574192332 950936630 /nfs/dbraw/zinc/93/66/30/950936630.db2.gz MXINWHHWEHQMCV-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574192332 950936655 /nfs/dbraw/zinc/93/66/55/950936655.db2.gz MXINWHHWEHQMCV-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575937178 950939558 /nfs/dbraw/zinc/93/95/58/950939558.db2.gz JKUVIXLZKVPSRR-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575937178 950939570 /nfs/dbraw/zinc/93/95/70/950939570.db2.gz JKUVIXLZKVPSRR-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ccncc1Cl ZINC001575015629 950939623 /nfs/dbraw/zinc/93/96/23/950939623.db2.gz SYNFZXIPNADZRB-VIFPVBQESA-N -1 3 388.819 0.720 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ccncc1Cl ZINC001575015629 950939637 /nfs/dbraw/zinc/93/96/37/950939637.db2.gz SYNFZXIPNADZRB-VIFPVBQESA-N -1 3 388.819 0.720 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCCCO1 ZINC001575015713 950944696 /nfs/dbraw/zinc/94/46/96/950944696.db2.gz VKYRETSJTQMHMK-NWDGAFQWSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCCCO1 ZINC001575015713 950944712 /nfs/dbraw/zinc/94/47/12/950944712.db2.gz VKYRETSJTQMHMK-NWDGAFQWSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576228560 950944747 /nfs/dbraw/zinc/94/47/47/950944747.db2.gz HQSLPRBLVSCYNV-GXFFZTMASA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H]1CN(C(=O)C2(CCF)CC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576228560 950944762 /nfs/dbraw/zinc/94/47/62/950944762.db2.gz HQSLPRBLVSCYNV-GXFFZTMASA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001575015814 950948600 /nfs/dbraw/zinc/94/86/00/950948600.db2.gz WMSVFABRRVHLAD-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001575015814 950948617 /nfs/dbraw/zinc/94/86/17/950948617.db2.gz WMSVFABRRVHLAD-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)(CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573897197 950957700 /nfs/dbraw/zinc/95/77/00/950957700.db2.gz LXKWJYWZUXIGPU-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573897197 950957712 /nfs/dbraw/zinc/95/77/12/950957712.db2.gz LXKWJYWZUXIGPU-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)[C@H](C)n1cncn1 ZINC001574772116 950957922 /nfs/dbraw/zinc/95/79/22/950957922.db2.gz PPQXTYUKJNCVMH-NEPJUHHUSA-N -1 3 387.423 0.795 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576229051 950960059 /nfs/dbraw/zinc/96/00/59/950960059.db2.gz IOSRMLIAOMFCJN-ZWNOBZJWSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576229051 950960083 /nfs/dbraw/zinc/96/00/83/950960083.db2.gz IOSRMLIAOMFCJN-ZWNOBZJWSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)(CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573897329 950962781 /nfs/dbraw/zinc/96/27/81/950962781.db2.gz OQELMCNTOCGKOW-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573897329 950962797 /nfs/dbraw/zinc/96/27/97/950962797.db2.gz OQELMCNTOCGKOW-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccn(C)n1 ZINC001574529878 950965978 /nfs/dbraw/zinc/96/59/78/950965978.db2.gz BBAGAJKRSJLCEC-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccn(C)n1 ZINC001574529878 950965994 /nfs/dbraw/zinc/96/59/94/950965994.db2.gz BBAGAJKRSJLCEC-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H]1[C@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1nc[nH]n1 ZINC001575937994 950967883 /nfs/dbraw/zinc/96/78/83/950967883.db2.gz IEPHXYYYBANKNC-PHDIDXHHSA-N -1 3 380.825 0.810 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1occ2c1CCOC2 ZINC001575016953 950969452 /nfs/dbraw/zinc/96/94/52/950969452.db2.gz DIYYFCMHVCXFSP-SECBINFHSA-N -1 3 385.384 0.409 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1occ2c1CCOC2 ZINC001575016953 950969465 /nfs/dbraw/zinc/96/94/65/950969465.db2.gz DIYYFCMHVCXFSP-SECBINFHSA-N -1 3 385.384 0.409 20 0 GCADHM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576229516 950972383 /nfs/dbraw/zinc/97/23/83/950972383.db2.gz KAJKOLBFPHNWIG-GXFFZTMASA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H]1CN(C(=O)C2(F)CCOCC2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576229516 950972395 /nfs/dbraw/zinc/97/23/95/950972395.db2.gz KAJKOLBFPHNWIG-GXFFZTMASA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1coc(CC2CC2)n1 ZINC001575017209 950980601 /nfs/dbraw/zinc/98/06/01/950980601.db2.gz HTAWYTWMTFQHFP-SECBINFHSA-N -1 3 384.400 0.684 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1coc(CC2CC2)n1 ZINC001575017209 950980622 /nfs/dbraw/zinc/98/06/22/950980622.db2.gz HTAWYTWMTFQHFP-SECBINFHSA-N -1 3 384.400 0.684 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575017234 950982368 /nfs/dbraw/zinc/98/23/68/950982368.db2.gz CCNMTFSCNZXUEV-MRVPVSSYSA-N -1 3 387.379 0.083 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575017234 950982383 /nfs/dbraw/zinc/98/23/83/950982383.db2.gz CCNMTFSCNZXUEV-MRVPVSSYSA-N -1 3 387.379 0.083 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C2CCC2)c1 ZINC001575017225 950982572 /nfs/dbraw/zinc/98/25/72/950982572.db2.gz IDJJDCGPHMBJPS-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C2CCC2)c1 ZINC001575017225 950982591 /nfs/dbraw/zinc/98/25/91/950982591.db2.gz IDJJDCGPHMBJPS-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2 ZINC001575644320 950982609 /nfs/dbraw/zinc/98/26/09/950982609.db2.gz SLFZNYPCSIREIW-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001575644320 950982629 /nfs/dbraw/zinc/98/26/29/950982629.db2.gz SLFZNYPCSIREIW-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575017298 950985661 /nfs/dbraw/zinc/98/56/61/950985661.db2.gz CWKOMPAYAAQSSZ-LLVKDONJSA-N -1 3 380.412 0.615 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575017298 950985677 /nfs/dbraw/zinc/98/56/77/950985677.db2.gz CWKOMPAYAAQSSZ-LLVKDONJSA-N -1 3 380.412 0.615 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C1CC1 ZINC001573899827 950988455 /nfs/dbraw/zinc/98/84/55/950988455.db2.gz KQESHWBHWFMINC-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C1CC1 ZINC001573899827 950988473 /nfs/dbraw/zinc/98/84/73/950988473.db2.gz KQESHWBHWFMINC-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1nc2c(s1)CCC2 ZINC001575017348 950990655 /nfs/dbraw/zinc/99/06/55/950990655.db2.gz KBNUUFACOBDAFU-MRVPVSSYSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1nc2c(s1)CCC2 ZINC001575017348 950990665 /nfs/dbraw/zinc/99/06/65/950990665.db2.gz KBNUUFACOBDAFU-MRVPVSSYSA-N -1 3 386.441 0.688 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575938677 950991197 /nfs/dbraw/zinc/99/11/97/950991197.db2.gz MNFVPHAEBBEUIX-OLZOCXBDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575938677 950991209 /nfs/dbraw/zinc/99/12/09/950991209.db2.gz MNFVPHAEBBEUIX-OLZOCXBDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CCc1ccon1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574530649 950991258 /nfs/dbraw/zinc/99/12/58/950991258.db2.gz DAQGMGXOZUHAAK-WDEREUQCSA-N -1 3 386.416 0.829 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CCc1ccon1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530649 950991266 /nfs/dbraw/zinc/99/12/66/950991266.db2.gz DAQGMGXOZUHAAK-WDEREUQCSA-N -1 3 386.416 0.829 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CO1 ZINC001575939266 951005853 /nfs/dbraw/zinc/00/58/53/951005853.db2.gz PKIJHZXGCCVFAC-VXGBXAGGSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CO1 ZINC001575939266 951005874 /nfs/dbraw/zinc/00/58/74/951005874.db2.gz PKIJHZXGCCVFAC-VXGBXAGGSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C2CCC2)nn1 ZINC001575017880 951011096 /nfs/dbraw/zinc/01/10/96/951011096.db2.gz OJEOHQCCXGOHEE-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C2CCC2)nn1 ZINC001575017880 951011109 /nfs/dbraw/zinc/01/11/09/951011109.db2.gz OJEOHQCCXGOHEE-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575018118 951014331 /nfs/dbraw/zinc/01/43/31/951014331.db2.gz KUWSRAYQAMQZBW-NSHDSACASA-N -1 3 380.412 0.615 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575018118 951014345 /nfs/dbraw/zinc/01/43/45/951014345.db2.gz KUWSRAYQAMQZBW-NSHDSACASA-N -1 3 380.412 0.615 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575018706 951025791 /nfs/dbraw/zinc/02/57/91/951025791.db2.gz OYQRKNPVDRMSQU-QMMMGPOBSA-N -1 3 387.379 0.306 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575018706 951025806 /nfs/dbraw/zinc/02/58/06/951025806.db2.gz OYQRKNPVDRMSQU-QMMMGPOBSA-N -1 3 387.379 0.306 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575019084 951033522 /nfs/dbraw/zinc/03/35/22/951033522.db2.gz RHUREGUBDIKCCE-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575019084 951033535 /nfs/dbraw/zinc/03/35/35/951033535.db2.gz RHUREGUBDIKCCE-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575019478 951037156 /nfs/dbraw/zinc/03/71/56/951037156.db2.gz TYVNWMDIAYSFTO-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575019478 951037172 /nfs/dbraw/zinc/03/71/72/951037172.db2.gz TYVNWMDIAYSFTO-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1scnc1Cl ZINC001575020335 951056744 /nfs/dbraw/zinc/05/67/44/951056744.db2.gz YZUQPDCBDPPIEB-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1scnc1Cl ZINC001575020335 951056757 /nfs/dbraw/zinc/05/67/57/951056757.db2.gz YZUQPDCBDPPIEB-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)o1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575021019 951057115 /nfs/dbraw/zinc/05/71/15/951057115.db2.gz ACQGAWKEKVLHIX-SSDOTTSWSA-N -1 3 390.791 0.837 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)o1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575021019 951057130 /nfs/dbraw/zinc/05/71/30/951057130.db2.gz ACQGAWKEKVLHIX-SSDOTTSWSA-N -1 3 390.791 0.837 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575021657 951066037 /nfs/dbraw/zinc/06/60/37/951066037.db2.gz FGHQYHCENIZGFH-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575021657 951066051 /nfs/dbraw/zinc/06/60/51/951066051.db2.gz FGHQYHCENIZGFH-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575022733 951069869 /nfs/dbraw/zinc/06/98/69/951069869.db2.gz ITDRZOJTMGBCMF-VIFPVBQESA-N -1 3 387.375 0.952 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575022733 951069878 /nfs/dbraw/zinc/06/98/78/951069878.db2.gz ITDRZOJTMGBCMF-VIFPVBQESA-N -1 3 387.375 0.952 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575023945 951088407 /nfs/dbraw/zinc/08/84/07/951088407.db2.gz STGYNUFLJRIKBF-VIFPVBQESA-N -1 3 386.441 0.677 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575023945 951088424 /nfs/dbraw/zinc/08/84/24/951088424.db2.gz STGYNUFLJRIKBF-VIFPVBQESA-N -1 3 386.441 0.677 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575024313 951100093 /nfs/dbraw/zinc/10/00/93/951100093.db2.gz AQQAIXYPOQQTEE-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575024313 951100105 /nfs/dbraw/zinc/10/01/05/951100105.db2.gz AQQAIXYPOQQTEE-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2n[nH]nc2n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575024342 951101270 /nfs/dbraw/zinc/10/12/70/951101270.db2.gz BHWXSXFYYHWCQL-VIFPVBQESA-N -1 3 379.388 0.183 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2n[nH]nc2n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575024342 951101283 /nfs/dbraw/zinc/10/12/83/951101283.db2.gz BHWXSXFYYHWCQL-VIFPVBQESA-N -1 3 379.388 0.183 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575024393 951102098 /nfs/dbraw/zinc/10/20/98/951102098.db2.gz CUBRSIKZXOMWCF-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575024393 951102108 /nfs/dbraw/zinc/10/21/08/951102108.db2.gz CUBRSIKZXOMWCF-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575024469 951105264 /nfs/dbraw/zinc/10/52/64/951105264.db2.gz FJCUTZPYYHQAHY-MRVPVSSYSA-N -1 3 380.372 0.469 20 0 GCADHM C[C@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575024469 951105272 /nfs/dbraw/zinc/10/52/72/951105272.db2.gz FJCUTZPYYHQAHY-MRVPVSSYSA-N -1 3 380.372 0.469 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nncn2c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575025834 951132308 /nfs/dbraw/zinc/13/23/08/951132308.db2.gz BRDJCMOKAOUHFH-SECBINFHSA-N -1 3 382.363 0.674 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nncn2c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575025834 951132317 /nfs/dbraw/zinc/13/23/17/951132317.db2.gz BRDJCMOKAOUHFH-SECBINFHSA-N -1 3 382.363 0.674 20 0 GCADHM C[C@H](CNC(=O)c1cccc(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575025840 951136113 /nfs/dbraw/zinc/13/61/13/951136113.db2.gz BWTDZDABHCHNDF-SECBINFHSA-N -1 3 388.819 0.844 20 0 GCADHM C[C@H](CNC(=O)c1cccc(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575025840 951136120 /nfs/dbraw/zinc/13/61/20/951136120.db2.gz BWTDZDABHCHNDF-SECBINFHSA-N -1 3 388.819 0.844 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575026187 951138924 /nfs/dbraw/zinc/13/89/24/951138924.db2.gz GDUOPQNJNBDUDC-LLVKDONJSA-N -1 3 380.412 0.615 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575026187 951138927 /nfs/dbraw/zinc/13/89/27/951138927.db2.gz GDUOPQNJNBDUDC-LLVKDONJSA-N -1 3 380.412 0.615 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575026380 951143554 /nfs/dbraw/zinc/14/35/54/951143554.db2.gz IFMMCQDORYBSMU-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575026380 951143560 /nfs/dbraw/zinc/14/35/60/951143560.db2.gz IFMMCQDORYBSMU-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575027414 951154879 /nfs/dbraw/zinc/15/48/79/951154879.db2.gz FYNTXVNIFUUXST-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(N(C)C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575027414 951154888 /nfs/dbraw/zinc/15/48/88/951154888.db2.gz FYNTXVNIFUUXST-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575029073 951181278 /nfs/dbraw/zinc/18/12/78/951181278.db2.gz RVJIRQJXZRDWCL-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575029073 951181286 /nfs/dbraw/zinc/18/12/86/951181286.db2.gz RVJIRQJXZRDWCL-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575029072 951183133 /nfs/dbraw/zinc/18/31/33/951183133.db2.gz RVJIRQJXZRDWCL-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575029072 951183139 /nfs/dbraw/zinc/18/31/39/951183139.db2.gz RVJIRQJXZRDWCL-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575031625 951197874 /nfs/dbraw/zinc/19/78/74/951197874.db2.gz FNAPFCYXIUWGBB-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575031625 951197880 /nfs/dbraw/zinc/19/78/80/951197880.db2.gz FNAPFCYXIUWGBB-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575031727 951200582 /nfs/dbraw/zinc/20/05/82/951200582.db2.gz HSNKZSUETPBUKK-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575031727 951200588 /nfs/dbraw/zinc/20/05/88/951200588.db2.gz HSNKZSUETPBUKK-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@](CNC(=O)c1ccccn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575031700 951201464 /nfs/dbraw/zinc/20/14/64/951201464.db2.gz HFUHYAWWVXKLBI-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1ccccn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575031700 951201473 /nfs/dbraw/zinc/20/14/73/951201473.db2.gz HFUHYAWWVXKLBI-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CNC(=O)c1cccn(C)c1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575031776 951203593 /nfs/dbraw/zinc/20/35/93/951203593.db2.gz IOUXIMNQPJPBIA-SECBINFHSA-N -1 3 388.819 0.844 20 0 GCADHM C[C@H](CNC(=O)c1cccn(C)c1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575031776 951203600 /nfs/dbraw/zinc/20/36/00/951203600.db2.gz IOUXIMNQPJPBIA-SECBINFHSA-N -1 3 388.819 0.844 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575031915 951211071 /nfs/dbraw/zinc/21/10/71/951211071.db2.gz MANWMRTXUDPCDX-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575031915 951211085 /nfs/dbraw/zinc/21/10/85/951211085.db2.gz MANWMRTXUDPCDX-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1N(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575032503 951226490 /nfs/dbraw/zinc/22/64/90/951226490.db2.gz ZEJZSPRUCOCRRH-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575032503 951226500 /nfs/dbraw/zinc/22/65/00/951226500.db2.gz ZEJZSPRUCOCRRH-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1ncccc1-c1nnn[n-]1 ZINC001575034341 951245591 /nfs/dbraw/zinc/24/55/91/951245591.db2.gz MLQQGORHPCBBKM-SECBINFHSA-N -1 3 377.359 0.954 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1ncccc1-c1nn[n-]n1 ZINC001575034341 951245605 /nfs/dbraw/zinc/24/56/05/951245605.db2.gz MLQQGORHPCBBKM-SECBINFHSA-N -1 3 377.359 0.954 20 0 GCADHM C[C@](CNC(=O)c1ccncc1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575034427 951248604 /nfs/dbraw/zinc/24/86/04/951248604.db2.gz NBPQRJKHWKSIRE-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1ccncc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575034427 951248616 /nfs/dbraw/zinc/24/86/16/951248616.db2.gz NBPQRJKHWKSIRE-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575034625 951255201 /nfs/dbraw/zinc/25/52/01/951255201.db2.gz OXELNSTUFFXHRN-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575034625 951255213 /nfs/dbraw/zinc/25/52/13/951255213.db2.gz OXELNSTUFFXHRN-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001575036348 951291546 /nfs/dbraw/zinc/29/15/46/951291546.db2.gz RQFOBWIUCABBCX-SECBINFHSA-N -1 3 377.359 0.954 20 0 GCADHM C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001575036348 951291555 /nfs/dbraw/zinc/29/15/55/951291555.db2.gz RQFOBWIUCABBCX-SECBINFHSA-N -1 3 377.359 0.954 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001575037835 951312330 /nfs/dbraw/zinc/31/23/30/951312330.db2.gz CYQPYUUKJXVWMU-JTQLQIEISA-N -1 3 386.420 0.163 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001575037835 951312340 /nfs/dbraw/zinc/31/23/40/951312340.db2.gz CYQPYUUKJXVWMU-JTQLQIEISA-N -1 3 386.420 0.163 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001575039139 951329126 /nfs/dbraw/zinc/32/91/26/951329126.db2.gz NXJVLBWPPYXVNN-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001575039139 951329137 /nfs/dbraw/zinc/32/91/37/951329137.db2.gz NXJVLBWPPYXVNN-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM C[C@](CNC(=O)c1ccsn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575039684 951331384 /nfs/dbraw/zinc/33/13/84/951331384.db2.gz RMVAMZQEIUJECX-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1ccsn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575039684 951331394 /nfs/dbraw/zinc/33/13/94/951331394.db2.gz RMVAMZQEIUJECX-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001575040359 951337542 /nfs/dbraw/zinc/33/75/42/951337542.db2.gz VSMZVBLOQFJXOJ-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001575040359 951337555 /nfs/dbraw/zinc/33/75/55/951337555.db2.gz VSMZVBLOQFJXOJ-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575042211 951360739 /nfs/dbraw/zinc/36/07/39/951360739.db2.gz HFKUXZDNYBJUDA-NSHDSACASA-N -1 3 382.432 0.833 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575042211 951360759 /nfs/dbraw/zinc/36/07/59/951360759.db2.gz HFKUXZDNYBJUDA-NSHDSACASA-N -1 3 382.432 0.833 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575042754 951371239 /nfs/dbraw/zinc/37/12/39/951371239.db2.gz MVVBNHQUOKUYBS-ZETCQYMHSA-N -1 3 377.796 0.585 20 0 GCADHM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575043929 951406300 /nfs/dbraw/zinc/40/63/00/951406300.db2.gz NAMILGFVVUIZMU-QMMMGPOBSA-N -1 3 389.807 0.889 20 0 GCADHM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575043929 951406305 /nfs/dbraw/zinc/40/63/05/951406305.db2.gz NAMILGFVVUIZMU-QMMMGPOBSA-N -1 3 389.807 0.889 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575043881 951406383 /nfs/dbraw/zinc/40/63/83/951406383.db2.gz MTTWDQCMPNBCQP-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575043881 951406387 /nfs/dbraw/zinc/40/63/87/951406387.db2.gz MTTWDQCMPNBCQP-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575044239 951410948 /nfs/dbraw/zinc/41/09/48/951410948.db2.gz YDWMFUCWEZBCHN-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575044239 951410955 /nfs/dbraw/zinc/41/09/55/951410955.db2.gz YDWMFUCWEZBCHN-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575046980 951451372 /nfs/dbraw/zinc/45/13/72/951451372.db2.gz WLUNMQTXDMGIMI-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575046980 951451378 /nfs/dbraw/zinc/45/13/78/951451378.db2.gz WLUNMQTXDMGIMI-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@](CNC(=O)c1cncnc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575046993 951452032 /nfs/dbraw/zinc/45/20/32/951452032.db2.gz WRXDZCTUYFWGLM-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cncnc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575046993 951452038 /nfs/dbraw/zinc/45/20/38/951452038.db2.gz WRXDZCTUYFWGLM-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1cncnc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575047020 951452196 /nfs/dbraw/zinc/45/21/96/951452196.db2.gz XGNKFWORHMRDOP-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cncnc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575047020 951452204 /nfs/dbraw/zinc/45/22/04/951452204.db2.gz XGNKFWORHMRDOP-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575052504 951466165 /nfs/dbraw/zinc/46/61/65/951466165.db2.gz KNGMJFXSEYXFHZ-QMMMGPOBSA-N -1 3 390.839 0.486 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575052504 951466171 /nfs/dbraw/zinc/46/61/71/951466171.db2.gz KNGMJFXSEYXFHZ-QMMMGPOBSA-N -1 3 390.839 0.486 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575052564 951469123 /nfs/dbraw/zinc/46/91/23/951469123.db2.gz LWGGMQQJGUYGQY-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575052564 951469130 /nfs/dbraw/zinc/46/91/30/951469130.db2.gz LWGGMQQJGUYGQY-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575052640 951470789 /nfs/dbraw/zinc/47/07/89/951470789.db2.gz NETFHPRAGSNJKF-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575052640 951470797 /nfs/dbraw/zinc/47/07/97/951470797.db2.gz NETFHPRAGSNJKF-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@](CNC(=O)c1cncs1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575053199 951477110 /nfs/dbraw/zinc/47/71/10/951477110.db2.gz RIUDVIVKEHPKSP-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1cncs1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575053199 951477120 /nfs/dbraw/zinc/47/71/20/951477120.db2.gz RIUDVIVKEHPKSP-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575053408 951478016 /nfs/dbraw/zinc/47/80/16/951478016.db2.gz CGATVTBBZQFCEI-JTQLQIEISA-N -1 3 383.416 0.350 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575053408 951478026 /nfs/dbraw/zinc/47/80/26/951478026.db2.gz CGATVTBBZQFCEI-JTQLQIEISA-N -1 3 383.416 0.350 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575054228 951489746 /nfs/dbraw/zinc/48/97/46/951489746.db2.gz GJLREMAHIZUNRJ-SNVBAGLBSA-N -1 3 383.416 0.350 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575054228 951489753 /nfs/dbraw/zinc/48/97/53/951489753.db2.gz GJLREMAHIZUNRJ-SNVBAGLBSA-N -1 3 383.416 0.350 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C(F)F)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575054622 951494731 /nfs/dbraw/zinc/49/47/31/951494731.db2.gz ZJTJAPDMVWHUNQ-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C(F)F)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575054622 951494739 /nfs/dbraw/zinc/49/47/39/951494739.db2.gz ZJTJAPDMVWHUNQ-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575054741 951496241 /nfs/dbraw/zinc/49/62/41/951496241.db2.gz KLDRFVLUCKBEKS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575054741 951496246 /nfs/dbraw/zinc/49/62/46/951496246.db2.gz KLDRFVLUCKBEKS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCC2)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575055263 951502108 /nfs/dbraw/zinc/50/21/08/951502108.db2.gz PEDNWAFIFFCXCI-JTQLQIEISA-N -1 3 385.407 0.798 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCC2)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575055263 951502113 /nfs/dbraw/zinc/50/21/13/951502113.db2.gz PEDNWAFIFFCXCI-JTQLQIEISA-N -1 3 385.407 0.798 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575055592 951510247 /nfs/dbraw/zinc/51/02/47/951510247.db2.gz XYBIAQCACNIKLA-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575055592 951510251 /nfs/dbraw/zinc/51/02/51/951510251.db2.gz XYBIAQCACNIKLA-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055819 951511575 /nfs/dbraw/zinc/51/15/75/951511575.db2.gz ALUKVSUTPSGCFJ-SECBINFHSA-N -1 3 384.400 0.684 20 0 GCADHM C[C@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055819 951511581 /nfs/dbraw/zinc/51/15/81/951511581.db2.gz ALUKVSUTPSGCFJ-SECBINFHSA-N -1 3 384.400 0.684 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CC2)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575056003 951515789 /nfs/dbraw/zinc/51/57/89/951515789.db2.gz DJBUPGCRFDGTAY-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CC2)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575056003 951515797 /nfs/dbraw/zinc/51/57/97/951515797.db2.gz DJBUPGCRFDGTAY-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CC2)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575056004 951516710 /nfs/dbraw/zinc/51/67/10/951516710.db2.gz DJBUPGCRFDGTAY-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CC2)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575056004 951516723 /nfs/dbraw/zinc/51/67/23/951516723.db2.gz DJBUPGCRFDGTAY-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575060640 951543750 /nfs/dbraw/zinc/54/37/50/951543750.db2.gz BQLRUBJXIGJVCI-JTQLQIEISA-N -1 3 382.432 0.737 20 0 GCADHM C[C@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575060644 951545431 /nfs/dbraw/zinc/54/54/31/951545431.db2.gz BVQQLOMQBLRVOI-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575061958 951564349 /nfs/dbraw/zinc/56/43/49/951564349.db2.gz SCIXHGUDTYSPOZ-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575061958 951564353 /nfs/dbraw/zinc/56/43/53/951564353.db2.gz SCIXHGUDTYSPOZ-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575062864 951572694 /nfs/dbraw/zinc/57/26/94/951572694.db2.gz ZUKPOUHOPYIUKV-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575062864 951572700 /nfs/dbraw/zinc/57/27/00/951572700.db2.gz ZUKPOUHOPYIUKV-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575064844 951578037 /nfs/dbraw/zinc/57/80/37/951578037.db2.gz DSJLNIALVRXXEE-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575064844 951578041 /nfs/dbraw/zinc/57/80/41/951578041.db2.gz DSJLNIALVRXXEE-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575064931 951580960 /nfs/dbraw/zinc/58/09/60/951580960.db2.gz FVWUJDVCTWOJQP-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575064931 951580964 /nfs/dbraw/zinc/58/09/64/951580964.db2.gz FVWUJDVCTWOJQP-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575065950 951589532 /nfs/dbraw/zinc/58/95/32/951589532.db2.gz CSCRXIJTRBLRPI-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575065950 951589543 /nfs/dbraw/zinc/58/95/43/951589543.db2.gz CSCRXIJTRBLRPI-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575065870 951589657 /nfs/dbraw/zinc/58/96/57/951589657.db2.gz JBDQCRJLNXDBJH-VIFPVBQESA-N -1 3 388.411 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575065870 951589665 /nfs/dbraw/zinc/58/96/65/951589665.db2.gz JBDQCRJLNXDBJH-VIFPVBQESA-N -1 3 388.411 0.978 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575066900 951602993 /nfs/dbraw/zinc/60/29/93/951602993.db2.gz NNSRVYHNXGZOTJ-SNVBAGLBSA-N -1 3 385.436 0.258 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575066900 951603002 /nfs/dbraw/zinc/60/30/02/951603002.db2.gz NNSRVYHNXGZOTJ-SNVBAGLBSA-N -1 3 385.436 0.258 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575067380 951612201 /nfs/dbraw/zinc/61/22/01/951612201.db2.gz RWLHWHFJKVXHNE-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575067380 951612206 /nfs/dbraw/zinc/61/22/06/951612206.db2.gz RWLHWHFJKVXHNE-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575067382 951612344 /nfs/dbraw/zinc/61/23/44/951612344.db2.gz RWLHWHFJKVXHNE-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575067382 951612356 /nfs/dbraw/zinc/61/23/56/951612356.db2.gz RWLHWHFJKVXHNE-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575069039 951640633 /nfs/dbraw/zinc/64/06/33/951640633.db2.gz FRLPWDWDCDVESJ-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575069039 951640638 /nfs/dbraw/zinc/64/06/38/951640638.db2.gz FRLPWDWDCDVESJ-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575071337 951658268 /nfs/dbraw/zinc/65/82/68/951658268.db2.gz ZWQDJRVHCSHEHW-ZETCQYMHSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575071337 951658273 /nfs/dbraw/zinc/65/82/73/951658273.db2.gz ZWQDJRVHCSHEHW-ZETCQYMHSA-N -1 3 387.429 0.472 20 0 GCADHM O=C([O-])C[NH+]1CCC(NC(=O)c2[n-]ncc2I)CC1 ZINC001595079953 951671852 /nfs/dbraw/zinc/67/18/52/951671852.db2.gz ZTRMTJHIJOGWOZ-UHFFFAOYSA-N -1 3 378.170 0.293 20 0 GCADHM O=C([O-])CN1CCC[C@H](C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)C1=O ZINC001595086490 951734501 /nfs/dbraw/zinc/73/45/01/951734501.db2.gz DEQNYEHHXFPEGP-LLVKDONJSA-N -1 3 393.831 0.973 20 0 GCADHM O=C([O-])CN1CCCC[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C1=O ZINC001595091069 951774141 /nfs/dbraw/zinc/77/41/41/951774141.db2.gz MAPGPPAMNKQUAN-MRXNPFEDSA-N -1 3 396.488 0.206 20 0 GCADHM O=C([O-])CN1CCCC[C@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C1=O ZINC001595091067 951774231 /nfs/dbraw/zinc/77/42/31/951774231.db2.gz MAPGPPAMNKQUAN-INIZCTEOSA-N -1 3 396.488 0.206 20 0 GCADHM C[C@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575116780 951973779 /nfs/dbraw/zinc/97/37/79/951973779.db2.gz INAUKRSFRLWSMH-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM C[C@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116780 951973782 /nfs/dbraw/zinc/97/37/82/951973782.db2.gz INAUKRSFRLWSMH-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM C[C@H](CNCc1nnc2n1CCCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575118898 951988199 /nfs/dbraw/zinc/98/81/99/951988199.db2.gz VKPKMRUUHITRGG-LLVKDONJSA-N -1 3 384.448 0.373 20 0 GCADHM C[C@H](CNCc1nnc2n1CCCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575118898 951988204 /nfs/dbraw/zinc/98/82/04/951988204.db2.gz VKPKMRUUHITRGG-LLVKDONJSA-N -1 3 384.448 0.373 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575121113 951993059 /nfs/dbraw/zinc/99/30/59/951993059.db2.gz BMXAYLTZOLRKQG-HNNXBMFYSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CNc1cc(Cl)c(=O)[nH]n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575121180 951995169 /nfs/dbraw/zinc/99/51/69/951995169.db2.gz CSQDLOJJKPYMAQ-ZETCQYMHSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@@H](CNc1cc(Cl)c(=O)[nH]n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575121180 951995172 /nfs/dbraw/zinc/99/51/72/951995172.db2.gz CSQDLOJJKPYMAQ-ZETCQYMHSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575121855 952001244 /nfs/dbraw/zinc/00/12/44/952001244.db2.gz IMBUPBDPKRVBNF-ATVPRXPUSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575121855 952001246 /nfs/dbraw/zinc/00/12/46/952001246.db2.gz IMBUPBDPKRVBNF-ATVPRXPUSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575122219 952002421 /nfs/dbraw/zinc/00/24/21/952002421.db2.gz KLIACGSBEFDYES-KSSFIOAISA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575122219 952002428 /nfs/dbraw/zinc/00/24/28/952002428.db2.gz KLIACGSBEFDYES-KSSFIOAISA-N -1 3 387.444 0.764 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575122900 952006187 /nfs/dbraw/zinc/00/61/87/952006187.db2.gz AIKSDHQKWGWRRZ-GOSISDBHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575122900 952006205 /nfs/dbraw/zinc/00/62/05/952006205.db2.gz AIKSDHQKWGWRRZ-GOSISDBHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575122969 952007516 /nfs/dbraw/zinc/00/75/16/952007516.db2.gz BGFACZNLPZFHGR-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575122969 952007528 /nfs/dbraw/zinc/00/75/28/952007528.db2.gz BGFACZNLPZFHGR-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575123496 952014530 /nfs/dbraw/zinc/01/45/30/952014530.db2.gz DPDPFBCHQMPUOG-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575123496 952014542 /nfs/dbraw/zinc/01/45/42/952014542.db2.gz DPDPFBCHQMPUOG-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575123523 952014692 /nfs/dbraw/zinc/01/46/92/952014692.db2.gz AGESKXHXGRDENY-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575123523 952014703 /nfs/dbraw/zinc/01/47/03/952014703.db2.gz AGESKXHXGRDENY-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575124087 952021102 /nfs/dbraw/zinc/02/11/02/952021102.db2.gz GCHZOFBOCSVGHT-SFHVURJKSA-N -1 3 386.460 0.291 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CN1CCOCC1)C1CC1 ZINC001575124087 952021114 /nfs/dbraw/zinc/02/11/14/952021114.db2.gz GCHZOFBOCSVGHT-SFHVURJKSA-N -1 3 386.460 0.291 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575124073 952021967 /nfs/dbraw/zinc/02/19/67/952021967.db2.gz FRJWWBGLHNQPJP-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575124073 952021976 /nfs/dbraw/zinc/02/19/76/952021976.db2.gz FRJWWBGLHNQPJP-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575124145 952025205 /nfs/dbraw/zinc/02/52/05/952025205.db2.gz RPGAAOOXYAFYRY-JSGCOSHPSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575124145 952025217 /nfs/dbraw/zinc/02/52/17/952025217.db2.gz RPGAAOOXYAFYRY-JSGCOSHPSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575124146 952025625 /nfs/dbraw/zinc/02/56/25/952025625.db2.gz RPGAAOOXYAFYRY-OCCSQVGLSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575124146 952025635 /nfs/dbraw/zinc/02/56/35/952025635.db2.gz RPGAAOOXYAFYRY-OCCSQVGLSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575124586 952032436 /nfs/dbraw/zinc/03/24/36/952032436.db2.gz UXWBCZDVEBRPKA-AAEUAGOBSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575124586 952032444 /nfs/dbraw/zinc/03/24/44/952032444.db2.gz UXWBCZDVEBRPKA-AAEUAGOBSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575124616 952034814 /nfs/dbraw/zinc/03/48/14/952034814.db2.gz VJIOVRJHSODWGN-VOJFVSQTSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575124616 952034823 /nfs/dbraw/zinc/03/48/23/952034823.db2.gz VJIOVRJHSODWGN-VOJFVSQTSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575125274 952040032 /nfs/dbraw/zinc/04/00/32/952040032.db2.gz NXEKTCOEACTLJR-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575125274 952040038 /nfs/dbraw/zinc/04/00/38/952040038.db2.gz NXEKTCOEACTLJR-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575126075 952048463 /nfs/dbraw/zinc/04/84/63/952048463.db2.gz QZSZAKHAEQXFPJ-QGZVFWFLSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575125995 952048633 /nfs/dbraw/zinc/04/86/33/952048633.db2.gz QKYIQFPPCGNFMF-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575125995 952048643 /nfs/dbraw/zinc/04/86/43/952048643.db2.gz QKYIQFPPCGNFMF-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575126544 952051650 /nfs/dbraw/zinc/05/16/50/952051650.db2.gz SKHWSHVSQLJDMQ-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575126544 952051652 /nfs/dbraw/zinc/05/16/52/952051652.db2.gz SKHWSHVSQLJDMQ-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575128824 952073390 /nfs/dbraw/zinc/07/33/90/952073390.db2.gz MVWBKIHFSHHWPT-LLVKDONJSA-N -1 3 381.462 0.344 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575128824 952073402 /nfs/dbraw/zinc/07/34/02/952073402.db2.gz MVWBKIHFSHHWPT-LLVKDONJSA-N -1 3 381.462 0.344 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575129019 952074405 /nfs/dbraw/zinc/07/44/05/952074405.db2.gz ORZJPMDHXBQFQK-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575129019 952074412 /nfs/dbraw/zinc/07/44/12/952074412.db2.gz ORZJPMDHXBQFQK-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CN1CCOCC1=O ZINC001575132808 952097267 /nfs/dbraw/zinc/09/72/67/952097267.db2.gz BIFRMMBDOGJTPY-LLVKDONJSA-N -1 3 391.407 0.123 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CN1CCOCC1=O ZINC001575132808 952097277 /nfs/dbraw/zinc/09/72/77/952097277.db2.gz BIFRMMBDOGJTPY-LLVKDONJSA-N -1 3 391.407 0.123 20 0 GCADHM O=C([O-])Cn1cc(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)nn1 ZINC001595144880 952108608 /nfs/dbraw/zinc/10/86/08/952108608.db2.gz MVUVMNXVOFSQFN-UHFFFAOYSA-N -1 3 386.412 0.441 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CN1CCCC1=O ZINC001575135162 952115348 /nfs/dbraw/zinc/11/53/48/952115348.db2.gz KLXCURYLROPSBE-LLVKDONJSA-N -1 3 375.408 0.887 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CN1CCCC1=O ZINC001575135162 952115353 /nfs/dbraw/zinc/11/53/53/952115353.db2.gz KLXCURYLROPSBE-LLVKDONJSA-N -1 3 375.408 0.887 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CCS(C)(=O)=O ZINC001575136410 952126213 /nfs/dbraw/zinc/12/62/13/952126213.db2.gz OZNOWHUHZWEBQK-JTQLQIEISA-N -1 3 384.437 0.699 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CCS(C)(=O)=O ZINC001575136410 952126221 /nfs/dbraw/zinc/12/62/21/952126221.db2.gz OZNOWHUHZWEBQK-JTQLQIEISA-N -1 3 384.437 0.699 20 0 GCADHM O=C([O-])Cn1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1=O ZINC001595153970 952154138 /nfs/dbraw/zinc/15/41/38/952154138.db2.gz BSEBBJBBPDZRAM-WMZOPIPTSA-N -1 3 399.447 0.546 20 0 GCADHM C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)CN(C)CC(C)(C)C ZINC001575144414 952166645 /nfs/dbraw/zinc/16/66/45/952166645.db2.gz VJLHAVLOVGQRPW-GFCCVEGCSA-N -1 3 375.481 0.315 20 0 GCADHM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575153544 952210047 /nfs/dbraw/zinc/21/00/47/952210047.db2.gz IELGOAQKMGNDDK-MRXNPFEDSA-N -1 3 382.388 0.163 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575154722 952230040 /nfs/dbraw/zinc/23/00/40/952230040.db2.gz VFAVYJQZWYPLHY-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCN1CCOCC1 ZINC001575163407 952278160 /nfs/dbraw/zinc/27/81/60/952278160.db2.gz BWTILHJQDIPNHU-GFCCVEGCSA-N -1 3 392.439 0.382 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCN1CCOCC1 ZINC001575163407 952278164 /nfs/dbraw/zinc/27/81/64/952278164.db2.gz BWTILHJQDIPNHU-GFCCVEGCSA-N -1 3 392.439 0.382 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575163713 952282091 /nfs/dbraw/zinc/28/20/91/952282091.db2.gz FCDLWIVIMQQGBA-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575163713 952282096 /nfs/dbraw/zinc/28/20/96/952282096.db2.gz FCDLWIVIMQQGBA-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575163810 952284204 /nfs/dbraw/zinc/28/42/04/952284204.db2.gz GNNVASPWJGOTDO-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575163810 952284210 /nfs/dbraw/zinc/28/42/10/952284210.db2.gz GNNVASPWJGOTDO-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575164166 952288712 /nfs/dbraw/zinc/28/87/12/952288712.db2.gz JAPNOXJHWFOBIO-BXKDBHETSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575164166 952288719 /nfs/dbraw/zinc/28/87/19/952288719.db2.gz JAPNOXJHWFOBIO-BXKDBHETSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575164687 952296592 /nfs/dbraw/zinc/29/65/92/952296592.db2.gz NAISZJBNIIJWAC-QMMMGPOBSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575164687 952296599 /nfs/dbraw/zinc/29/65/99/952296599.db2.gz NAISZJBNIIJWAC-QMMMGPOBSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)CN1CCCC1=O ZINC001575164710 952297098 /nfs/dbraw/zinc/29/70/98/952297098.db2.gz GTAMXNBTPVDFJG-SNVBAGLBSA-N -1 3 392.851 0.796 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)CN1CCCC1=O ZINC001575164710 952297104 /nfs/dbraw/zinc/29/71/04/952297104.db2.gz GTAMXNBTPVDFJG-SNVBAGLBSA-N -1 3 392.851 0.796 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575164698 952297421 /nfs/dbraw/zinc/29/74/21/952297421.db2.gz GQPAFBVUWHFOEG-MRVPVSSYSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575164698 952297426 /nfs/dbraw/zinc/29/74/26/952297426.db2.gz GQPAFBVUWHFOEG-MRVPVSSYSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)Cn1ccccc1=O ZINC001575164665 952297607 /nfs/dbraw/zinc/29/76/07/952297607.db2.gz MSFUITYNBXXWIM-NSHDSACASA-N -1 3 386.391 0.522 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)Cn1ccccc1=O ZINC001575164665 952297613 /nfs/dbraw/zinc/29/76/13/952297613.db2.gz MSFUITYNBXXWIM-NSHDSACASA-N -1 3 386.391 0.522 20 0 GCADHM C[C@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575165066 952302342 /nfs/dbraw/zinc/30/23/42/952302342.db2.gz KDGRILHFHOPCDX-SUMWQHHRSA-N -1 3 391.407 0.513 20 0 GCADHM C[C@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575165066 952302348 /nfs/dbraw/zinc/30/23/48/952302348.db2.gz KDGRILHFHOPCDX-SUMWQHHRSA-N -1 3 391.407 0.513 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575165441 952309417 /nfs/dbraw/zinc/30/94/17/952309417.db2.gz TVVDEECJUBTESB-WDEREUQCSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575165441 952309419 /nfs/dbraw/zinc/30/94/19/952309419.db2.gz TVVDEECJUBTESB-WDEREUQCSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575165556 952309681 /nfs/dbraw/zinc/30/96/81/952309681.db2.gz OXIUXHZKZUXUBU-ABKXIKBNSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575165556 952309688 /nfs/dbraw/zinc/30/96/88/952309688.db2.gz OXIUXHZKZUXUBU-ABKXIKBNSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575165683 952314640 /nfs/dbraw/zinc/31/46/40/952314640.db2.gz VCBFQOPHZGHYSV-NXEZZACHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575165683 952314647 /nfs/dbraw/zinc/31/46/47/952314647.db2.gz VCBFQOPHZGHYSV-NXEZZACHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575166506 952326770 /nfs/dbraw/zinc/32/67/70/952326770.db2.gz XBVPZJOQVGPMDX-RLFDGXBXSA-N -1 3 388.407 0.219 20 0 GCADHM C[C@@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001575166506 952326779 /nfs/dbraw/zinc/32/67/79/952326779.db2.gz XBVPZJOQVGPMDX-RLFDGXBXSA-N -1 3 388.407 0.219 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575166952 952329402 /nfs/dbraw/zinc/32/94/02/952329402.db2.gz AWWKRENOCNJCJO-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575166952 952329409 /nfs/dbraw/zinc/32/94/09/952329409.db2.gz AWWKRENOCNJCJO-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575166981 952332617 /nfs/dbraw/zinc/33/26/17/952332617.db2.gz BMBPUUOLTSJBBJ-MNOVXSKESA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575166981 952332624 /nfs/dbraw/zinc/33/26/24/952332624.db2.gz BMBPUUOLTSJBBJ-MNOVXSKESA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCCNC(=O)C1CC1 ZINC001575167496 952336352 /nfs/dbraw/zinc/33/63/52/952336352.db2.gz HLZFFMUWBHPEBN-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCCNC(=O)C1CC1 ZINC001575167496 952336356 /nfs/dbraw/zinc/33/63/56/952336356.db2.gz HLZFFMUWBHPEBN-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)COCc1ccnn1C ZINC001575167706 952339377 /nfs/dbraw/zinc/33/93/77/952339377.db2.gz JMPILABJQNNDAJ-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)COCc1ccnn1C ZINC001575167706 952339382 /nfs/dbraw/zinc/33/93/82/952339382.db2.gz JMPILABJQNNDAJ-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCn1cnccc1=O ZINC001575167747 952340006 /nfs/dbraw/zinc/34/00/06/952340006.db2.gz JTTSHQMUFLZWPW-LBPRGKRZSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCn1cnccc1=O ZINC001575167747 952340014 /nfs/dbraw/zinc/34/00/14/952340014.db2.gz JTTSHQMUFLZWPW-LBPRGKRZSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575168850 952344878 /nfs/dbraw/zinc/34/48/78/952344878.db2.gz OGNSVFYTMAEKAF-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001575168850 952344883 /nfs/dbraw/zinc/34/48/83/952344883.db2.gz OGNSVFYTMAEKAF-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575169337 952349596 /nfs/dbraw/zinc/34/95/96/952349596.db2.gz RAYXIMASYQRFMI-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575169337 952349604 /nfs/dbraw/zinc/34/96/04/952349604.db2.gz RAYXIMASYQRFMI-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575170011 952351653 /nfs/dbraw/zinc/35/16/53/952351653.db2.gz VHHZIAQGNMWPBO-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575170011 952351658 /nfs/dbraw/zinc/35/16/58/952351658.db2.gz VHHZIAQGNMWPBO-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575170009 952352562 /nfs/dbraw/zinc/35/25/62/952352562.db2.gz VHHZIAQGNMWPBO-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575170009 952352569 /nfs/dbraw/zinc/35/25/69/952352569.db2.gz VHHZIAQGNMWPBO-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575170041 952352975 /nfs/dbraw/zinc/35/29/75/952352975.db2.gz VXJCQCSMBXFWQS-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575170041 952352982 /nfs/dbraw/zinc/35/29/82/952352982.db2.gz VXJCQCSMBXFWQS-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575170340 952354746 /nfs/dbraw/zinc/35/47/46/952354746.db2.gz XKFQAKZVLSZYCQ-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575170340 952354754 /nfs/dbraw/zinc/35/47/54/952354754.db2.gz XKFQAKZVLSZYCQ-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575184736 952422648 /nfs/dbraw/zinc/42/26/48/952422648.db2.gz BKRXTHDMEJDNIF-GARJFASQSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575184736 952422651 /nfs/dbraw/zinc/42/26/51/952422651.db2.gz BKRXTHDMEJDNIF-GARJFASQSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001575184751 952422925 /nfs/dbraw/zinc/42/29/25/952422925.db2.gz BLVLPQNGLLFIMH-QSIZCVBASA-N -1 3 377.879 0.908 20 0 GCADHM C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001575184751 952422929 /nfs/dbraw/zinc/42/29/29/952422929.db2.gz BLVLPQNGLLFIMH-QSIZCVBASA-N -1 3 377.879 0.908 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575184803 952423884 /nfs/dbraw/zinc/42/38/84/952423884.db2.gz CVHSWCSXSUJGTN-GFCCVEGCSA-N -1 3 392.485 0.190 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575184803 952423889 /nfs/dbraw/zinc/42/38/89/952423889.db2.gz CVHSWCSXSUJGTN-GFCCVEGCSA-N -1 3 392.485 0.190 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185171 952429284 /nfs/dbraw/zinc/42/92/84/952429284.db2.gz MEXNJDUVTYKEIJ-DLOVCJGASA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185171 952429286 /nfs/dbraw/zinc/42/92/86/952429286.db2.gz MEXNJDUVTYKEIJ-DLOVCJGASA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001575185223 952430534 /nfs/dbraw/zinc/43/05/34/952430534.db2.gz NGKLPTIMJDKGST-JTQLQIEISA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001575185223 952430537 /nfs/dbraw/zinc/43/05/37/952430537.db2.gz NGKLPTIMJDKGST-JTQLQIEISA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575185569 952434612 /nfs/dbraw/zinc/43/46/12/952434612.db2.gz STGSJWITXMPACY-DLOVCJGASA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575185569 952434615 /nfs/dbraw/zinc/43/46/15/952434615.db2.gz STGSJWITXMPACY-DLOVCJGASA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001575185676 952434899 /nfs/dbraw/zinc/43/48/99/952434899.db2.gz UMVAXXOMIVFVJX-UWVGGRQHSA-N -1 3 384.437 0.603 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001575185676 952434903 /nfs/dbraw/zinc/43/49/03/952434903.db2.gz UMVAXXOMIVFVJX-UWVGGRQHSA-N -1 3 384.437 0.603 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@](C)(Cn1cccn1)C(N)=O ZINC001575190491 952462611 /nfs/dbraw/zinc/46/26/11/952462611.db2.gz SWTPYBIOBORBKO-KZULUSFZSA-N -1 3 382.428 0.302 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@](C)(Cn1cccn1)C(N)=O ZINC001575190491 952462620 /nfs/dbraw/zinc/46/26/20/952462620.db2.gz SWTPYBIOBORBKO-KZULUSFZSA-N -1 3 382.428 0.302 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575190657 952463535 /nfs/dbraw/zinc/46/35/35/952463535.db2.gz VJBIDGBBJKUUPH-NSHDSACASA-N -1 3 383.412 0.855 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575190657 952463539 /nfs/dbraw/zinc/46/35/39/952463539.db2.gz VJBIDGBBJKUUPH-NSHDSACASA-N -1 3 383.412 0.855 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575191820 952469518 /nfs/dbraw/zinc/46/95/18/952469518.db2.gz YTOXWDBNADSIDQ-LLVKDONJSA-N -1 3 383.412 0.949 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575191820 952469521 /nfs/dbraw/zinc/46/95/21/952469521.db2.gz YTOXWDBNADSIDQ-LLVKDONJSA-N -1 3 383.412 0.949 20 0 GCADHM O=C1CS(=O)(=O)c2cc(Nc3ncc(-c4nnn[n-]4)cc3F)ccc2N1 ZINC001571115783 952470859 /nfs/dbraw/zinc/47/08/59/952470859.db2.gz ZUBSHTAOZOKVBG-UHFFFAOYSA-N -1 3 375.345 0.870 20 0 GCADHM O=C1CS(=O)(=O)c2cc(Nc3ncc(-c4nn[n-]n4)cc3F)ccc2N1 ZINC001571115783 952470862 /nfs/dbraw/zinc/47/08/62/952470862.db2.gz ZUBSHTAOZOKVBG-UHFFFAOYSA-N -1 3 375.345 0.870 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575195919 952472544 /nfs/dbraw/zinc/47/25/44/952472544.db2.gz DHKZZPHNEYECGA-NSHDSACASA-N -1 3 383.412 0.855 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575195919 952472552 /nfs/dbraw/zinc/47/25/52/952472552.db2.gz DHKZZPHNEYECGA-NSHDSACASA-N -1 3 383.412 0.855 20 0 GCADHM Cc1nc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)ccc1[C@@H](C)O ZINC001571116645 952476750 /nfs/dbraw/zinc/47/67/50/952476750.db2.gz AYMQEFKNMLSKBR-SNVBAGLBSA-N -1 3 375.414 0.497 20 0 GCADHM Cc1nc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)ccc1[C@@H](C)O ZINC001571116645 952476756 /nfs/dbraw/zinc/47/67/56/952476756.db2.gz AYMQEFKNMLSKBR-SNVBAGLBSA-N -1 3 375.414 0.497 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)[C@@H]1CCCOC1 ZINC001571116809 952477265 /nfs/dbraw/zinc/47/72/65/952477265.db2.gz CZQNAWYBVPCTLR-DGCLKSJQSA-N -1 3 375.408 0.912 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)[C@@H]1CCCOC1 ZINC001571116809 952477267 /nfs/dbraw/zinc/47/72/67/952477267.db2.gz CZQNAWYBVPCTLR-DGCLKSJQSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575196917 952477943 /nfs/dbraw/zinc/47/79/43/952477943.db2.gz LCYZUXJTRSBYFR-GFCCVEGCSA-N -1 3 383.412 0.951 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575196917 952477948 /nfs/dbraw/zinc/47/79/48/952477948.db2.gz LCYZUXJTRSBYFR-GFCCVEGCSA-N -1 3 383.412 0.951 20 0 GCADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)Cc3ccoc3)C2)c1-c1nnn[n-]1 ZINC001571116909 952478294 /nfs/dbraw/zinc/47/82/94/952478294.db2.gz FRKKACABLXGAKO-GHMZBOCLSA-N -1 3 375.414 0.133 20 0 GCADHM CC[C@@H](C)C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571117134 952479099 /nfs/dbraw/zinc/47/90/99/952479099.db2.gz HBJJFJOYOAGXGY-YPMHNXCESA-N -1 3 375.433 0.588 20 0 GCADHM CC[C@@H](C)C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571117134 952479101 /nfs/dbraw/zinc/47/91/01/952479101.db2.gz HBJJFJOYOAGXGY-YPMHNXCESA-N -1 3 375.433 0.588 20 0 GCADHM CO[C@H](C)C(=O)N1CCC[C@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571117065 952479285 /nfs/dbraw/zinc/47/92/85/952479285.db2.gz GJZNZVQDZUMBFI-VXGBXAGGSA-N -1 3 375.433 0.540 20 0 GCADHM CO[C@H](C)C(=O)N1CCC[C@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571117065 952479290 /nfs/dbraw/zinc/47/92/90/952479290.db2.gz GJZNZVQDZUMBFI-VXGBXAGGSA-N -1 3 375.433 0.540 20 0 GCADHM CO[C@@H](C)C(=O)N1CCC[C@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571117061 952479608 /nfs/dbraw/zinc/47/96/08/952479608.db2.gz GJZNZVQDZUMBFI-NWDGAFQWSA-N -1 3 375.433 0.540 20 0 GCADHM CO[C@@H](C)C(=O)N1CCC[C@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571117061 952479611 /nfs/dbraw/zinc/47/96/11/952479611.db2.gz GJZNZVQDZUMBFI-NWDGAFQWSA-N -1 3 375.433 0.540 20 0 GCADHM CO[C@@H](C)C(=O)N1CCC[C@@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571117063 952479721 /nfs/dbraw/zinc/47/97/21/952479721.db2.gz GJZNZVQDZUMBFI-RYUDHWBXSA-N -1 3 375.433 0.540 20 0 GCADHM 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952490026 /nfs/dbraw/zinc/49/00/26/952490026.db2.gz ZNCFAKIHPFMHFY-YPMHNXCESA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575199605 952490133 /nfs/dbraw/zinc/49/01/33/952490133.db2.gz DJCGMIIUYUEZCI-GWCFXTLKSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575199605 952490137 /nfs/dbraw/zinc/49/01/37/952490137.db2.gz DJCGMIIUYUEZCI-GWCFXTLKSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575199707 952490264 /nfs/dbraw/zinc/49/02/64/952490264.db2.gz DXMRKHFFMONAPF-FRRDWIJNSA-N -1 3 396.459 0.377 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575199707 952490269 /nfs/dbraw/zinc/49/02/69/952490269.db2.gz DXMRKHFFMONAPF-FRRDWIJNSA-N -1 3 396.459 0.377 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575199608 952490314 /nfs/dbraw/zinc/49/03/14/952490314.db2.gz DJCGMIIUYUEZCI-GXFFZTMASA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575199608 952490319 /nfs/dbraw/zinc/49/03/19/952490319.db2.gz DJCGMIIUYUEZCI-GXFFZTMASA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001575200038 952492686 /nfs/dbraw/zinc/49/26/86/952492686.db2.gz GZFBEOYXPCMTNR-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575200038 952492690 /nfs/dbraw/zinc/49/26/90/952492690.db2.gz GZFBEOYXPCMTNR-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM COc1nc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nnn[n-]3)C2)co1 ZINC001571119872 952495206 /nfs/dbraw/zinc/49/52/06/952495206.db2.gz GXXXRGPMNFWATQ-QMMMGPOBSA-N -1 3 376.402 0.955 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001571119817 952495371 /nfs/dbraw/zinc/49/53/71/952495371.db2.gz GGVSQEREWYREKR-OLZOCXBDSA-N -1 3 376.417 0.720 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1(Nc2ccnc(-c3nnn[n-]3)n2)CCC1 ZINC001575200435 952495372 /nfs/dbraw/zinc/49/53/72/952495372.db2.gz JKIRTFRLDBCHQC-NSHDSACASA-N -1 3 382.432 0.131 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1 ZINC001575200435 952495375 /nfs/dbraw/zinc/49/53/75/952495375.db2.gz JKIRTFRLDBCHQC-NSHDSACASA-N -1 3 382.432 0.131 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001571119817 952495374 /nfs/dbraw/zinc/49/53/74/952495374.db2.gz GGVSQEREWYREKR-OLZOCXBDSA-N -1 3 376.417 0.720 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200410 952495506 /nfs/dbraw/zinc/49/55/06/952495506.db2.gz JDAQPPKPGHDGMZ-NWDGAFQWSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200874 952499250 /nfs/dbraw/zinc/49/92/50/952499250.db2.gz MFYPDBLWFAXFHQ-SRVKXCTJSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575200761 952499435 /nfs/dbraw/zinc/49/94/35/952499435.db2.gz LHGKDZSCSXKBEY-LBPRGKRZSA-N -1 3 384.448 0.164 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575200761 952499438 /nfs/dbraw/zinc/49/94/38/952499438.db2.gz LHGKDZSCSXKBEY-LBPRGKRZSA-N -1 3 384.448 0.164 20 0 GCADHM Cc1ccncc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001571120373 952501415 /nfs/dbraw/zinc/50/14/15/952501415.db2.gz LVLYDCKXJLYPBH-GJZGRUSLSA-N -1 3 376.424 0.997 20 0 GCADHM Cc1ccncc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001571120373 952501417 /nfs/dbraw/zinc/50/14/17/952501417.db2.gz LVLYDCKXJLYPBH-GJZGRUSLSA-N -1 3 376.424 0.997 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575201227 952502817 /nfs/dbraw/zinc/50/28/17/952502817.db2.gz OGFGMQUQZVXUPN-QMTHXVAHSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575201641 952507078 /nfs/dbraw/zinc/50/70/78/952507078.db2.gz JHTLPGGGXSVVTJ-PIGZYNQJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575201644 952507560 /nfs/dbraw/zinc/50/75/60/952507560.db2.gz JIGQPNCIHIVYED-LLVKDONJSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575201644 952507568 /nfs/dbraw/zinc/50/75/68/952507568.db2.gz JIGQPNCIHIVYED-LLVKDONJSA-N -1 3 382.432 0.662 20 0 GCADHM CCn1cc(NC(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)c(C(N)=O)n1 ZINC001571120746 952508259 /nfs/dbraw/zinc/50/82/59/952508259.db2.gz PFJYNCFKJNCVPJ-UHFFFAOYSA-N -1 3 376.327 0.913 20 0 GCADHM CCn1cc(NC(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)c(C(N)=O)n1 ZINC001571120746 952508263 /nfs/dbraw/zinc/50/82/63/952508263.db2.gz PFJYNCFKJNCVPJ-UHFFFAOYSA-N -1 3 376.327 0.913 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575201878 952508844 /nfs/dbraw/zinc/50/88/44/952508844.db2.gz RWUVTBJPHMQPNT-AAEUAGOBSA-N -1 3 384.448 0.811 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575201878 952508848 /nfs/dbraw/zinc/50/88/48/952508848.db2.gz RWUVTBJPHMQPNT-AAEUAGOBSA-N -1 3 384.448 0.811 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001575202097 952510051 /nfs/dbraw/zinc/51/00/51/952510051.db2.gz NMAJLDSGMFFJRG-WXHSDQCUSA-N -1 3 380.416 0.048 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001575202097 952510057 /nfs/dbraw/zinc/51/00/57/952510057.db2.gz NMAJLDSGMFFJRG-WXHSDQCUSA-N -1 3 380.416 0.048 20 0 GCADHM COc1ncc(NC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)cc1-c1nnn[n-]1 ZINC001571120875 952510163 /nfs/dbraw/zinc/51/01/63/952510163.db2.gz SAUAYZOINGIUHA-MNOVXSKESA-N -1 3 376.421 0.189 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575202191 952511144 /nfs/dbraw/zinc/51/11/44/952511144.db2.gz SWNHNBDLMZHVIC-NSHDSACASA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575202192 952512113 /nfs/dbraw/zinc/51/21/13/952512113.db2.gz TVEXNMAJVLNHHD-DOMZBBRYSA-N -1 3 382.428 0.854 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575202192 952512115 /nfs/dbraw/zinc/51/21/15/952512115.db2.gz TVEXNMAJVLNHHD-DOMZBBRYSA-N -1 3 382.428 0.854 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575202531 952512652 /nfs/dbraw/zinc/51/26/52/952512652.db2.gz OXZUDDWONXEOQM-YGRLFVJLSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575202461 952512669 /nfs/dbraw/zinc/51/26/69/952512669.db2.gz OEEKLNCQCLJTOO-NEPJUHHUSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575202461 952512676 /nfs/dbraw/zinc/51/26/76/952512676.db2.gz OEEKLNCQCLJTOO-NEPJUHHUSA-N -1 3 382.432 0.083 20 0 GCADHM O=C(N[C@H]1CCN(CCn2cc(Cl)cn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571121021 952512876 /nfs/dbraw/zinc/51/28/76/952512876.db2.gz VDIJZILKVCIBEK-LBPRGKRZSA-N -1 3 375.824 0.549 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575202353 952513193 /nfs/dbraw/zinc/51/31/93/952513193.db2.gz VSZZBSMOHCXXSC-GXTWGEPZSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575202353 952513202 /nfs/dbraw/zinc/51/32/02/952513202.db2.gz VSZZBSMOHCXXSC-GXTWGEPZSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575202356 952513848 /nfs/dbraw/zinc/51/38/48/952513848.db2.gz VSZZBSMOHCXXSC-TZMCWYRMSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575202356 952513851 /nfs/dbraw/zinc/51/38/51/952513851.db2.gz VSZZBSMOHCXXSC-TZMCWYRMSA-N -1 3 381.444 0.887 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1csc(=O)[nH]1 ZINC001571121084 952515282 /nfs/dbraw/zinc/51/52/82/952515282.db2.gz VMWFCWWTVZDILM-OCAPTIKFSA-N -1 3 376.377 0.936 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575202785 952515855 /nfs/dbraw/zinc/51/58/55/952515855.db2.gz YGNMSLVQNSKZOJ-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575203114 952517832 /nfs/dbraw/zinc/51/78/32/952517832.db2.gz ZUAJNMNODMESQE-DGCLKSJQSA-N -1 3 382.432 0.344 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3CCCCN3C)C2)c1-c1nnn[n-]1 ZINC001571121645 952521038 /nfs/dbraw/zinc/52/10/38/952521038.db2.gz BEBCRIHFJNYWNS-RYUDHWBXSA-N -1 3 376.490 0.811 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001575203417 952522764 /nfs/dbraw/zinc/52/27/64/952522764.db2.gz WIIIHOKUOMCINH-LBPRGKRZSA-N -1 3 382.432 0.297 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575203417 952522766 /nfs/dbraw/zinc/52/27/66/952522766.db2.gz WIIIHOKUOMCINH-LBPRGKRZSA-N -1 3 382.432 0.297 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001575203544 952524427 /nfs/dbraw/zinc/52/44/27/952524427.db2.gz ZORIZMYVHQVCHH-WCQYABFASA-N -1 3 382.432 0.083 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575203544 952524431 /nfs/dbraw/zinc/52/44/31/952524431.db2.gz ZORIZMYVHQVCHH-WCQYABFASA-N -1 3 382.432 0.083 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575206610 952530511 /nfs/dbraw/zinc/53/05/11/952530511.db2.gz KJINUDWIKNOJOO-UBHSHLNASA-N -1 3 381.444 0.933 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575206610 952530516 /nfs/dbraw/zinc/53/05/16/952530516.db2.gz KJINUDWIKNOJOO-UBHSHLNASA-N -1 3 381.444 0.933 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571123467 952530739 /nfs/dbraw/zinc/53/07/39/952530739.db2.gz SHIYCHQNVFLZFD-KOLCDFICSA-N -1 3 376.808 0.207 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571123467 952530744 /nfs/dbraw/zinc/53/07/44/952530744.db2.gz SHIYCHQNVFLZFD-KOLCDFICSA-N -1 3 376.808 0.207 20 0 GCADHM C[C@@](Cn1cccn1)(NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC001575207150 952531807 /nfs/dbraw/zinc/53/18/07/952531807.db2.gz OERLNFDZSQCHEP-IYOUNJFTSA-N -1 3 380.412 0.227 20 0 GCADHM C[C@@](Cn1cccn1)(NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001575207150 952531810 /nfs/dbraw/zinc/53/18/10/952531810.db2.gz OERLNFDZSQCHEP-IYOUNJFTSA-N -1 3 380.412 0.227 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571124219 952535024 /nfs/dbraw/zinc/53/50/24/952535024.db2.gz BLXLCJAECYNQHN-VROVMSAKSA-N -1 3 377.355 0.427 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)C3(C(F)F)CC3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571124219 952535029 /nfs/dbraw/zinc/53/50/29/952535029.db2.gz BLXLCJAECYNQHN-VROVMSAKSA-N -1 3 377.355 0.427 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575207883 952535831 /nfs/dbraw/zinc/53/58/31/952535831.db2.gz UYNZVURHGFYHKW-DFBGVHRSSA-N -1 3 381.444 0.933 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575207883 952535834 /nfs/dbraw/zinc/53/58/34/952535834.db2.gz UYNZVURHGFYHKW-DFBGVHRSSA-N -1 3 381.444 0.933 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ncccc2-c2nnn[n-]2)ncn1 ZINC001571124371 952536918 /nfs/dbraw/zinc/53/69/18/952536918.db2.gz GYQXVURWUACTBG-BETUJISGSA-N -1 3 377.412 0.854 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ncccc2-c2nn[n-]n2)ncn1 ZINC001571124371 952536924 /nfs/dbraw/zinc/53/69/24/952536924.db2.gz GYQXVURWUACTBG-BETUJISGSA-N -1 3 377.412 0.854 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001575207987 952537501 /nfs/dbraw/zinc/53/75/01/952537501.db2.gz YJDPUDDKPNMYDM-LBPRGKRZSA-N -1 3 381.444 0.935 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001575207987 952537506 /nfs/dbraw/zinc/53/75/06/952537506.db2.gz YJDPUDDKPNMYDM-LBPRGKRZSA-N -1 3 381.444 0.935 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)c(C)n2)ncn1 ZINC001571124326 952537598 /nfs/dbraw/zinc/53/75/98/952537598.db2.gz FVFJXMVXWZCTOC-STQMWFEESA-N -1 3 377.412 0.772 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)c(C)n2)ncn1 ZINC001571124326 952537602 /nfs/dbraw/zinc/53/76/02/952537602.db2.gz FVFJXMVXWZCTOC-STQMWFEESA-N -1 3 377.412 0.772 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1COCCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575210290 952538971 /nfs/dbraw/zinc/53/89/71/952538971.db2.gz AIHUEHCJAACELL-LBPRGKRZSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1COCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575210290 952538974 /nfs/dbraw/zinc/53/89/74/952538974.db2.gz AIHUEHCJAACELL-LBPRGKRZSA-N -1 3 384.362 0.978 20 0 GCADHM CCc1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571124710 952542123 /nfs/dbraw/zinc/54/21/23/952542123.db2.gz RTCZUVNECYIBAY-VIKVFOODSA-N -1 3 377.412 0.479 20 0 GCADHM CCc1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571124710 952542127 /nfs/dbraw/zinc/54/21/27/952542127.db2.gz RTCZUVNECYIBAY-VIKVFOODSA-N -1 3 377.412 0.479 20 0 GCADHM CC(F)(F)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001575210926 952542244 /nfs/dbraw/zinc/54/22/44/952542244.db2.gz KPXNTNOYEUAYJK-CYBMUJFWSA-N -1 3 378.383 0.981 20 0 GCADHM CC(F)(F)C(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001575210926 952542249 /nfs/dbraw/zinc/54/22/49/952542249.db2.gz KPXNTNOYEUAYJK-CYBMUJFWSA-N -1 3 378.383 0.981 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001575210930 952542796 /nfs/dbraw/zinc/54/27/96/952542796.db2.gz KPXNTNOYEUAYJK-ZDUSSCGKSA-N -1 3 378.383 0.981 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001575210930 952542799 /nfs/dbraw/zinc/54/27/99/952542799.db2.gz KPXNTNOYEUAYJK-ZDUSSCGKSA-N -1 3 378.383 0.981 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575210867 952543159 /nfs/dbraw/zinc/54/31/59/952543159.db2.gz JJTNOMIQXZOLLH-GFCCVEGCSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575210867 952543165 /nfs/dbraw/zinc/54/31/65/952543165.db2.gz JJTNOMIQXZOLLH-GFCCVEGCSA-N -1 3 384.362 0.978 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](CO)C1 ZINC001571124857 952545535 /nfs/dbraw/zinc/54/55/35/952545535.db2.gz WOMVQMXKCQXCNL-JTQLQIEISA-N -1 3 377.405 0.249 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](CO)C1 ZINC001571124857 952545538 /nfs/dbraw/zinc/54/55/38/952545538.db2.gz WOMVQMXKCQXCNL-JTQLQIEISA-N -1 3 377.405 0.249 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1COC2(CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001575211406 952545753 /nfs/dbraw/zinc/54/57/53/952545753.db2.gz RFEMQSAHHTXRSO-ZDUSSCGKSA-N -1 3 378.383 0.981 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1COC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001575211406 952545757 /nfs/dbraw/zinc/54/57/57/952545757.db2.gz RFEMQSAHHTXRSO-ZDUSSCGKSA-N -1 3 378.383 0.981 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nnn[n-]2)n1 ZINC001571126946 952548022 /nfs/dbraw/zinc/54/80/22/952548022.db2.gz AHYHYMNQTWTXHR-BNOWGMLFSA-N -1 3 377.412 0.900 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nn[n-]n2)n1 ZINC001571126946 952548024 /nfs/dbraw/zinc/54/80/24/952548024.db2.gz AHYHYMNQTWTXHR-BNOWGMLFSA-N -1 3 377.412 0.900 20 0 GCADHM COC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC001571127007 952549332 /nfs/dbraw/zinc/54/93/32/952549332.db2.gz CCXSODNFWKWWFX-LRDDRELGSA-N -1 3 377.426 0.831 20 0 GCADHM COC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001571127007 952549337 /nfs/dbraw/zinc/54/93/37/952549337.db2.gz CCXSODNFWKWWFX-LRDDRELGSA-N -1 3 377.426 0.831 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC001571127498 952556354 /nfs/dbraw/zinc/55/63/54/952556354.db2.gz KWVSSJPSPBLYEQ-SNVBAGLBSA-N -1 3 377.430 0.816 20 0 GCADHM CO[C@@H](C)C(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]21 ZINC001571127624 952558521 /nfs/dbraw/zinc/55/85/21/952558521.db2.gz KAPLSEKLEKAHNK-OUJBWJOFSA-N -1 3 377.836 0.987 20 0 GCADHM CO[C@@H](C)C(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]21 ZINC001571127624 952558526 /nfs/dbraw/zinc/55/85/26/952558526.db2.gz KAPLSEKLEKAHNK-OUJBWJOFSA-N -1 3 377.836 0.987 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(c1ncccc1-c1nnn[n-]1)CC2)c1ncccn1 ZINC001571127800 952559291 /nfs/dbraw/zinc/55/92/91/952559291.db2.gz NONDVYBEPNRNAI-UGSOOPFHSA-N -1 3 377.412 0.983 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(c1ncccc1-c1nn[n-]n1)CC2)c1ncccn1 ZINC001571127800 952559303 /nfs/dbraw/zinc/55/93/03/952559303.db2.gz NONDVYBEPNRNAI-UGSOOPFHSA-N -1 3 377.412 0.983 20 0 GCADHM CC(F)(F)C(=O)NC1(CCO)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575213864 952561261 /nfs/dbraw/zinc/56/12/61/952561261.db2.gz VQFOHRUGQFBGED-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(F)(F)C(=O)NC1(CCO)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001575213864 952561264 /nfs/dbraw/zinc/56/12/64/952561264.db2.gz VQFOHRUGQFBGED-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(F)(F)C(=O)N1CCC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001575213858 952561288 /nfs/dbraw/zinc/56/12/88/952561288.db2.gz VIDPRGSTMIBSCJ-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CCC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001575213858 952561293 /nfs/dbraw/zinc/56/12/93/952561293.db2.gz VIDPRGSTMIBSCJ-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC[C@H](F)CN1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nnn[n-]3)c1)O2 ZINC001571128142 952563807 /nfs/dbraw/zinc/56/38/07/952563807.db2.gz OYCGNUOGSZCQRC-STQMWFEESA-N -1 3 377.424 0.906 20 0 GCADHM CC[C@H](F)CN1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001571128142 952563810 /nfs/dbraw/zinc/56/38/10/952563810.db2.gz OYCGNUOGSZCQRC-STQMWFEESA-N -1 3 377.424 0.906 20 0 GCADHM CC(F)(F)C1(C(=O)N(CCO)CCNc2ncccc2-c2nnn[n-]2)CC1 ZINC001575214722 952566441 /nfs/dbraw/zinc/56/64/41/952566441.db2.gz OMHBZMKWSRXJIN-UHFFFAOYSA-N -1 3 381.387 0.930 20 0 GCADHM CC(F)(F)C1(C(=O)N(CCO)CCNc2ncccc2-c2nn[n-]n2)CC1 ZINC001575214722 952566453 /nfs/dbraw/zinc/56/64/53/952566453.db2.gz OMHBZMKWSRXJIN-UHFFFAOYSA-N -1 3 381.387 0.930 20 0 GCADHM CS[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571128562 952568239 /nfs/dbraw/zinc/56/82/39/952568239.db2.gz UTPHQMYWSGDBPG-MEDUHNTESA-N -1 3 377.474 0.779 20 0 GCADHM CS[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571128562 952568244 /nfs/dbraw/zinc/56/82/44/952568244.db2.gz UTPHQMYWSGDBPG-MEDUHNTESA-N -1 3 377.474 0.779 20 0 GCADHM Cc1nsc(N(C)[C@H]2CCN(C(=O)c3cnsn3)C2)c1-c1nnn[n-]1 ZINC001571128747 952569485 /nfs/dbraw/zinc/56/94/85/952569485.db2.gz XGYYJVKGXHYYNS-QMMMGPOBSA-N -1 3 377.459 0.834 20 0 GCADHM CC(F)(F)C1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575215580 952569580 /nfs/dbraw/zinc/56/95/80/952569580.db2.gz VXKYANLRLCFFED-UHFFFAOYSA-N -1 3 381.387 0.930 20 0 GCADHM CC(F)(F)C1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575215580 952569588 /nfs/dbraw/zinc/56/95/88/952569588.db2.gz VXKYANLRLCFFED-UHFFFAOYSA-N -1 3 381.387 0.930 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575215618 952569707 /nfs/dbraw/zinc/56/97/07/952569707.db2.gz WMDFVENTFMHZMW-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575215618 952569710 /nfs/dbraw/zinc/56/97/10/952569710.db2.gz WMDFVENTFMHZMW-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575215918 952570526 /nfs/dbraw/zinc/57/05/26/952570526.db2.gz ZIVIUVKLZBZVEF-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575215918 952570532 /nfs/dbraw/zinc/57/05/32/952570532.db2.gz ZIVIUVKLZBZVEF-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@@H]2C[C@H]1CN2c1ncnc2c1CCC2 ZINC001571128957 952572052 /nfs/dbraw/zinc/57/20/52/952572052.db2.gz YIZUUAYBYCCMDG-RYUDHWBXSA-N -1 3 377.412 0.577 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@@H]2C[C@H]1CN2c1ncnc2c1CCC2 ZINC001571128957 952572054 /nfs/dbraw/zinc/57/20/54/952572054.db2.gz YIZUUAYBYCCMDG-RYUDHWBXSA-N -1 3 377.412 0.577 20 0 GCADHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)NCc1nncn1C1CC1 ZINC001571129486 952575578 /nfs/dbraw/zinc/57/55/78/952575578.db2.gz DZXDBUKZBKMPRZ-UHFFFAOYSA-N -1 3 378.393 0.719 20 0 GCADHM CCOC(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)ccc2F)[C@@H](CO)C1 ZINC001571129825 952576486 /nfs/dbraw/zinc/57/64/86/952576486.db2.gz JXBIRDSWKZASGD-MFKMUULPSA-N -1 3 378.364 0.185 20 0 GCADHM CCOC(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)ccc2F)[C@@H](CO)C1 ZINC001571129825 952576491 /nfs/dbraw/zinc/57/64/91/952576491.db2.gz JXBIRDSWKZASGD-MFKMUULPSA-N -1 3 378.364 0.185 20 0 GCADHM Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)c1 ZINC001571129793 952576704 /nfs/dbraw/zinc/57/67/04/952576704.db2.gz JBQIPSANFZSAQJ-NHAGDIPZSA-N -1 3 378.396 0.399 20 0 GCADHM Cc1cncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)c1 ZINC001571129793 952576707 /nfs/dbraw/zinc/57/67/07/952576707.db2.gz JBQIPSANFZSAQJ-NHAGDIPZSA-N -1 3 378.396 0.399 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)n1 ZINC001571130212 952579763 /nfs/dbraw/zinc/57/97/63/952579763.db2.gz PRSFNDDIFXXJLX-JYAVWHMHSA-N -1 3 378.396 0.399 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)n1 ZINC001571130212 952579771 /nfs/dbraw/zinc/57/97/71/952579771.db2.gz PRSFNDDIFXXJLX-JYAVWHMHSA-N -1 3 378.396 0.399 20 0 GCADHM Cc1ccncc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571130543 952580847 /nfs/dbraw/zinc/58/08/47/952580847.db2.gz SQHPUEHNENKJMO-NHAGDIPZSA-N -1 3 378.396 0.399 20 0 GCADHM Cc1ccncc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571130543 952580849 /nfs/dbraw/zinc/58/08/49/952580849.db2.gz SQHPUEHNENKJMO-NHAGDIPZSA-N -1 3 378.396 0.399 20 0 GCADHM NC(=O)c1ncccc1C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571130738 952582049 /nfs/dbraw/zinc/58/20/49/952582049.db2.gz VZSBGGOPQIITQU-UHFFFAOYSA-N -1 3 378.396 0.775 20 0 GCADHM NC(=O)c1ncccc1C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571130738 952582050 /nfs/dbraw/zinc/58/20/50/952582050.db2.gz VZSBGGOPQIITQU-UHFFFAOYSA-N -1 3 378.396 0.775 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1ccccc1O ZINC001571130911 952583029 /nfs/dbraw/zinc/58/30/29/952583029.db2.gz YICRVKUTVARKTR-XYYAHUGASA-N -1 3 378.396 0.475 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)[C@]1(F)CCOC1 ZINC001571130952 952584254 /nfs/dbraw/zinc/58/42/54/952584254.db2.gz ZUKPQFWAWWPRIB-DYVFJYSZSA-N -1 3 378.383 0.825 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1 ZINC001571135741 952607918 /nfs/dbraw/zinc/60/79/18/952607918.db2.gz CLTPALWWUCMODL-UTUOFQBUSA-N -1 3 378.400 0.174 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1 ZINC001571135741 952607920 /nfs/dbraw/zinc/60/79/20/952607920.db2.gz CLTPALWWUCMODL-UTUOFQBUSA-N -1 3 378.400 0.174 20 0 GCADHM O=C(c1cc(C2CC2)n[nH]1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nn1 ZINC001571136603 952615245 /nfs/dbraw/zinc/61/52/45/952615245.db2.gz SHQHSVZMXPGHGL-QWRGUYRKSA-N -1 3 378.400 0.361 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571139021 952618147 /nfs/dbraw/zinc/61/81/47/952618147.db2.gz AVRZCWFFUSVROW-SECBINFHSA-N -1 3 379.371 0.818 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571139021 952618151 /nfs/dbraw/zinc/61/81/51/952618151.db2.gz AVRZCWFFUSVROW-SECBINFHSA-N -1 3 379.371 0.818 20 0 GCADHM NC(=O)c1ncccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571138978 952618436 /nfs/dbraw/zinc/61/84/36/952618436.db2.gz AMMOHVOCYJGVPU-LLVKDONJSA-N -1 3 379.384 0.082 20 0 GCADHM NC(=O)c1ncccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571138978 952618439 /nfs/dbraw/zinc/61/84/39/952618439.db2.gz AMMOHVOCYJGVPU-LLVKDONJSA-N -1 3 379.384 0.082 20 0 GCADHM CN(C(=O)[C@@H]1CCC1(F)F)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571139133 952619231 /nfs/dbraw/zinc/61/92/31/952619231.db2.gz COWGAHPWNOLHJF-ILDUYXDCSA-N -1 3 379.371 0.959 20 0 GCADHM CN(C(=O)[C@@H]1CCC1(F)F)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571139133 952619239 /nfs/dbraw/zinc/61/92/39/952619239.db2.gz COWGAHPWNOLHJF-ILDUYXDCSA-N -1 3 379.371 0.959 20 0 GCADHM CNC(=O)c1ccc(NC(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)nn1 ZINC001571139624 952621099 /nfs/dbraw/zinc/62/10/99/952621099.db2.gz KCYUITMLIIVYJM-UHFFFAOYSA-N -1 3 379.384 0.827 20 0 GCADHM CNC(=O)c1ccc(NC(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)nn1 ZINC001571139624 952621102 /nfs/dbraw/zinc/62/11/02/952621102.db2.gz KCYUITMLIIVYJM-UHFFFAOYSA-N -1 3 379.384 0.827 20 0 GCADHM O=C(CC1CC(F)(F)C1)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001571139566 952621246 /nfs/dbraw/zinc/62/12/46/952621246.db2.gz IIKYAELCUPXDHW-OLZOCXBDSA-N -1 3 379.371 0.363 20 0 GCADHM O=C(CC1CC(F)(F)C1)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001571139566 952621249 /nfs/dbraw/zinc/62/12/49/952621249.db2.gz IIKYAELCUPXDHW-OLZOCXBDSA-N -1 3 379.371 0.363 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnccn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571139609 952621295 /nfs/dbraw/zinc/62/12/95/952621295.db2.gz JUDKPDLQISAGED-LQJRIPTKSA-N -1 3 379.384 0.160 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571139609 952621298 /nfs/dbraw/zinc/62/12/98/952621298.db2.gz JUDKPDLQISAGED-LQJRIPTKSA-N -1 3 379.384 0.160 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571139572 952621394 /nfs/dbraw/zinc/62/13/94/952621394.db2.gz IPZBDVCWBMDYKY-PRHODGIISA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571139572 952621399 /nfs/dbraw/zinc/62/13/99/952621399.db2.gz IPZBDVCWBMDYKY-PRHODGIISA-N -1 3 379.371 0.817 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571139622 952621403 /nfs/dbraw/zinc/62/14/03/952621403.db2.gz JZHYOBAJYPIBNG-MIMYLULJSA-N -1 3 379.371 0.674 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571139622 952621406 /nfs/dbraw/zinc/62/14/06/952621406.db2.gz JZHYOBAJYPIBNG-MIMYLULJSA-N -1 3 379.371 0.674 20 0 GCADHM CC(F)(F)CC(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571139628 952621481 /nfs/dbraw/zinc/62/14/81/952621481.db2.gz KEDOFRZLETZIIE-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)CC(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571139628 952621483 /nfs/dbraw/zinc/62/14/83/952621483.db2.gz KEDOFRZLETZIIE-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571139990 952622084 /nfs/dbraw/zinc/62/20/84/952622084.db2.gz MLMRXCJQGJDTCV-GFCCVEGCSA-N -1 3 379.384 0.082 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571139990 952622086 /nfs/dbraw/zinc/62/20/86/952622086.db2.gz MLMRXCJQGJDTCV-GFCCVEGCSA-N -1 3 379.384 0.082 20 0 GCADHM CN(C(=O)[C@@]1(F)CCOC1)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571139896 952622192 /nfs/dbraw/zinc/62/21/92/952622192.db2.gz KSYZWOLPGUIZMV-BDJLRTHQSA-N -1 3 379.371 0.567 20 0 GCADHM CN(C(=O)[C@@]1(F)CCOC1)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571139896 952622197 /nfs/dbraw/zinc/62/21/97/952622197.db2.gz KSYZWOLPGUIZMV-BDJLRTHQSA-N -1 3 379.371 0.567 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571139975 952622435 /nfs/dbraw/zinc/62/24/35/952622435.db2.gz LZPOTAVHPSZEFG-SNVBAGLBSA-N -1 3 379.384 0.082 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571139975 952622438 /nfs/dbraw/zinc/62/24/38/952622438.db2.gz LZPOTAVHPSZEFG-SNVBAGLBSA-N -1 3 379.384 0.082 20 0 GCADHM CC(F)(F)C(=O)N1C[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@]2(C)C1 ZINC001571139977 952622630 /nfs/dbraw/zinc/62/26/30/952622630.db2.gz MBHLXJHFBHOWNT-PSLIRLAXSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1C[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@]2(C)C1 ZINC001571139977 952622632 /nfs/dbraw/zinc/62/26/32/952622632.db2.gz MBHLXJHFBHOWNT-PSLIRLAXSA-N -1 3 379.371 0.771 20 0 GCADHM O=C(N[C@H]1C[C@H](CNC(=O)C2CC(F)(F)C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571140025 952623288 /nfs/dbraw/zinc/62/32/88/952623288.db2.gz NLDIMEOVGMKKIC-CZMCAQCFSA-N -1 3 379.371 0.865 20 0 GCADHM O=C(N[C@H]1C[C@H](CNC(=O)C2CC(F)(F)C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571140025 952623289 /nfs/dbraw/zinc/62/32/89/952623289.db2.gz NLDIMEOVGMKKIC-CZMCAQCFSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001571140395 952625390 /nfs/dbraw/zinc/62/53/90/952625390.db2.gz QLUZCIGGUTWXJN-IEBDPFPHSA-N -1 3 379.371 0.674 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001571140395 952625391 /nfs/dbraw/zinc/62/53/91/952625391.db2.gz QLUZCIGGUTWXJN-IEBDPFPHSA-N -1 3 379.371 0.674 20 0 GCADHM CCC(=O)NC1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC001571140997 952630637 /nfs/dbraw/zinc/63/06/37/952630637.db2.gz DZLGXLBPKAVCDL-UHFFFAOYSA-N -1 3 378.458 0.854 20 0 GCADHM CCC(=O)NC1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC001571140997 952630639 /nfs/dbraw/zinc/63/06/39/952630639.db2.gz DZLGXLBPKAVCDL-UHFFFAOYSA-N -1 3 378.458 0.854 20 0 GCADHM Cc1nc(C(=O)NCC(=O)N2CCOc3ccccc32)ccc1-c1nnn[n-]1 ZINC001571141671 952634944 /nfs/dbraw/zinc/63/49/44/952634944.db2.gz YKTAURPYGRIKKD-UHFFFAOYSA-N -1 3 379.380 0.726 20 0 GCADHM Cc1nc(C(=O)NCC(=O)N2CCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC001571141671 952634946 /nfs/dbraw/zinc/63/49/46/952634946.db2.gz YKTAURPYGRIKKD-UHFFFAOYSA-N -1 3 379.380 0.726 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCC(F)(F)C1 ZINC001571141712 952636040 /nfs/dbraw/zinc/63/60/40/952636040.db2.gz ZYCYNTBWIKPPSK-UWVGGRQHSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCC(F)(F)C1 ZINC001571141712 952636044 /nfs/dbraw/zinc/63/60/44/952636044.db2.gz ZYCYNTBWIKPPSK-UWVGGRQHSA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001571142726 952644837 /nfs/dbraw/zinc/64/48/37/952644837.db2.gz WRLQDPPFWIWDSS-ZANVPECISA-N -1 3 378.458 0.600 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001571142723 952644929 /nfs/dbraw/zinc/64/49/29/952644929.db2.gz WRLQDPPFWIWDSS-NOZJJQNGSA-N -1 3 378.458 0.600 20 0 GCADHM O=C(Cn1ccnc1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571146345 952648644 /nfs/dbraw/zinc/64/86/44/952648644.db2.gz GGOQBHDFMBJMKE-YJBOKZPZSA-N -1 3 379.428 0.776 20 0 GCADHM O=C(Cn1ccnc1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571146345 952648653 /nfs/dbraw/zinc/64/86/53/952648653.db2.gz GGOQBHDFMBJMKE-YJBOKZPZSA-N -1 3 379.428 0.776 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571146373 952648927 /nfs/dbraw/zinc/64/89/27/952648927.db2.gz HCUXFWSDMBERBM-JSGCOSHPSA-N -1 3 379.428 0.734 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571146373 952648930 /nfs/dbraw/zinc/64/89/30/952648930.db2.gz HCUXFWSDMBERBM-JSGCOSHPSA-N -1 3 379.428 0.734 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC001571146353 952649112 /nfs/dbraw/zinc/64/91/12/952649112.db2.gz GNNAYQNSYUJXSR-DGCLKSJQSA-N -1 3 379.428 0.485 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCc2n[nH]cc2C1 ZINC001571146353 952649116 /nfs/dbraw/zinc/64/91/16/952649116.db2.gz GNNAYQNSYUJXSR-DGCLKSJQSA-N -1 3 379.428 0.485 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC001571146354 952649347 /nfs/dbraw/zinc/64/93/47/952649347.db2.gz GNNAYQNSYUJXSR-WCQYABFASA-N -1 3 379.428 0.485 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC001571146354 952649348 /nfs/dbraw/zinc/64/93/48/952649348.db2.gz GNNAYQNSYUJXSR-WCQYABFASA-N -1 3 379.428 0.485 20 0 GCADHM O=C(Cn1cccn1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571146601 952650194 /nfs/dbraw/zinc/65/01/94/952650194.db2.gz JNDHJWHUDDLBOF-XJKSGUPXSA-N -1 3 379.428 0.586 20 0 GCADHM O=C(Cn1cccn1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571146601 952650197 /nfs/dbraw/zinc/65/01/97/952650197.db2.gz JNDHJWHUDDLBOF-XJKSGUPXSA-N -1 3 379.428 0.586 20 0 GCADHM O=C([C@@H]1CCn2cncc2C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571146588 952650449 /nfs/dbraw/zinc/65/04/49/952650449.db2.gz JIRHTJBVTJUVQE-TZMCWYRMSA-N -1 3 379.428 0.734 20 0 GCADHM O=C([C@@H]1CCn2cncc2C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571146588 952650450 /nfs/dbraw/zinc/65/04/50/952650450.db2.gz JIRHTJBVTJUVQE-TZMCWYRMSA-N -1 3 379.428 0.734 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1 ZINC001571146685 952651130 /nfs/dbraw/zinc/65/11/30/952651130.db2.gz AOSAPQGTIYZRJO-DFBGVHRSSA-N -1 3 379.428 0.762 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1 ZINC001571146685 952651136 /nfs/dbraw/zinc/65/11/36/952651136.db2.gz AOSAPQGTIYZRJO-DFBGVHRSSA-N -1 3 379.428 0.762 20 0 GCADHM O=C(Cn1ccnc1)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC001571146677 952651639 /nfs/dbraw/zinc/65/16/39/952651639.db2.gz LIIXUVIUQUSFHL-LSDHHAIUSA-N -1 3 379.428 0.998 20 0 GCADHM O=C(Cn1ccnc1)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC001571146677 952651640 /nfs/dbraw/zinc/65/16/40/952651640.db2.gz LIIXUVIUQUSFHL-LSDHHAIUSA-N -1 3 379.428 0.998 20 0 GCADHM Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)cn2)cnn1C ZINC001571146790 952652883 /nfs/dbraw/zinc/65/28/83/952652883.db2.gz CEYAZCDQBGHIAR-OKILXGFUSA-N -1 3 379.428 0.797 20 0 GCADHM Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)cn2)cnn1C ZINC001571146790 952652889 /nfs/dbraw/zinc/65/28/89/952652889.db2.gz CEYAZCDQBGHIAR-OKILXGFUSA-N -1 3 379.428 0.797 20 0 GCADHM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571146835 952653186 /nfs/dbraw/zinc/65/31/86/952653186.db2.gz NODMKJCWNFYTIM-AEGPPILISA-N -1 3 379.428 0.494 20 0 GCADHM Cn1cc([C@@H]2C[C@H]2C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571146835 952653193 /nfs/dbraw/zinc/65/31/93/952653193.db2.gz NODMKJCWNFYTIM-AEGPPILISA-N -1 3 379.428 0.494 20 0 GCADHM Cn1nccc1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571147018 952655172 /nfs/dbraw/zinc/65/51/72/952655172.db2.gz QEVDSKJDFNVJSD-GOSISDBHSA-N -1 3 379.428 0.738 20 0 GCADHM Cn1nccc1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571147018 952655176 /nfs/dbraw/zinc/65/51/76/952655176.db2.gz QEVDSKJDFNVJSD-GOSISDBHSA-N -1 3 379.428 0.738 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)c1cnn2c1CCC2 ZINC001571147069 952656817 /nfs/dbraw/zinc/65/68/17/952656817.db2.gz SBLNLFLJYUJPCI-UHFFFAOYSA-N -1 3 379.428 0.803 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)c1cnn2c1CCC2 ZINC001571147069 952656820 /nfs/dbraw/zinc/65/68/20/952656820.db2.gz SBLNLFLJYUJPCI-UHFFFAOYSA-N -1 3 379.428 0.803 20 0 GCADHM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571147184 952659010 /nfs/dbraw/zinc/65/90/10/952659010.db2.gz IKDVRBZCAFHKQT-IOZHEUJQSA-N -1 3 379.424 0.475 20 0 GCADHM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571147184 952659012 /nfs/dbraw/zinc/65/90/12/952659012.db2.gz IKDVRBZCAFHKQT-IOZHEUJQSA-N -1 3 379.424 0.475 20 0 GCADHM C[C@]1(NC(=O)c2cnc3n2CCC3)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571148079 952665408 /nfs/dbraw/zinc/66/54/08/952665408.db2.gz UKWUANULOBDSEZ-SFHVURJKSA-N -1 3 379.428 0.803 20 0 GCADHM C[C@]1(NC(=O)c2cnc3n2CCC3)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571148079 952665411 /nfs/dbraw/zinc/66/54/11/952665411.db2.gz UKWUANULOBDSEZ-SFHVURJKSA-N -1 3 379.428 0.803 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001571151016 952671370 /nfs/dbraw/zinc/67/13/70/952671370.db2.gz IUCJAPMZHCZRAE-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001571151016 952671373 /nfs/dbraw/zinc/67/13/73/952671373.db2.gz IUCJAPMZHCZRAE-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM O=C(c1n[nH]c2c1CCCC2)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571151093 952672472 /nfs/dbraw/zinc/67/24/72/952672472.db2.gz LILODLSMDGEDOH-UHFFFAOYSA-N -1 3 379.428 0.826 20 0 GCADHM O=C(c1n[nH]c2c1CCCC2)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571151093 952672475 /nfs/dbraw/zinc/67/24/75/952672475.db2.gz LILODLSMDGEDOH-UHFFFAOYSA-N -1 3 379.428 0.826 20 0 GCADHM CC1(Nc2ccc(-c3nnn[n-]3)nc2)CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001571151140 952673354 /nfs/dbraw/zinc/67/33/54/952673354.db2.gz MCJCWOVBGJMRTD-UHFFFAOYSA-N -1 3 379.446 0.099 20 0 GCADHM CC1(Nc2ccc(-c3nn[n-]n3)nc2)CCN(C(=O)CS(C)(=O)=O)CC1 ZINC001571151140 952673357 /nfs/dbraw/zinc/67/33/57/952673357.db2.gz MCJCWOVBGJMRTD-UHFFFAOYSA-N -1 3 379.446 0.099 20 0 GCADHM O=C(c1cnn(CC2CC2)c1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571151340 952674259 /nfs/dbraw/zinc/67/42/59/952674259.db2.gz PEKZJEAJXSLWMC-UHFFFAOYSA-N -1 3 379.428 0.831 20 0 GCADHM O=C(c1cnn(CC2CC2)c1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571151340 952674263 /nfs/dbraw/zinc/67/42/63/952674263.db2.gz PEKZJEAJXSLWMC-UHFFFAOYSA-N -1 3 379.428 0.831 20 0 GCADHM Cc1nsc(N2CC[C@](C)(NC(=O)[C@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571151766 952677638 /nfs/dbraw/zinc/67/76/38/952677638.db2.gz WYVZDVSJQDZPJX-BMIGLBTASA-N -1 3 379.446 0.132 20 0 GCADHM Cc1cc(C(=O)N2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC2)[nH]n1 ZINC001571152236 952682014 /nfs/dbraw/zinc/68/20/14/952682014.db2.gz FKMJFKUXDGPXGU-UHFFFAOYSA-N -1 3 379.837 0.971 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@@H]1COCCO1 ZINC001571152568 952682428 /nfs/dbraw/zinc/68/24/28/952682428.db2.gz GUYAYBVUUJBABI-UMNHJUIQSA-N -1 3 379.808 0.390 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@@H]1COCCO1 ZINC001571152568 952682432 /nfs/dbraw/zinc/68/24/32/952682432.db2.gz GUYAYBVUUJBABI-UMNHJUIQSA-N -1 3 379.808 0.390 20 0 GCADHM O=C(c1ccnnc1)N1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001571155009 952691284 /nfs/dbraw/zinc/69/12/84/952691284.db2.gz DQXXHPOUZZEDSC-KBPBESRZSA-N -1 3 380.387 0.895 20 0 GCADHM O=C(c1ccnnc1)N1C[C@@H]2C[C@H]1CN2Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001571155009 952691285 /nfs/dbraw/zinc/69/12/85/952691285.db2.gz DQXXHPOUZZEDSC-KBPBESRZSA-N -1 3 380.387 0.895 20 0 GCADHM C[C@H]1CN(C(=O)COc2cccnc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571155014 952691288 /nfs/dbraw/zinc/69/12/88/952691288.db2.gz DTTYVXISBVWJJD-BLLLJJGKSA-N -1 3 380.412 0.995 20 0 GCADHM C[C@H]1CN(C(=O)COc2cccnc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571155014 952691292 /nfs/dbraw/zinc/69/12/92/952691292.db2.gz DTTYVXISBVWJJD-BLLLJJGKSA-N -1 3 380.412 0.995 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001571155084 952692424 /nfs/dbraw/zinc/69/24/24/952692424.db2.gz HCVZMDXEVTZZAH-LERXQTSPSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001571155084 952692429 /nfs/dbraw/zinc/69/24/29/952692429.db2.gz HCVZMDXEVTZZAH-LERXQTSPSA-N -1 3 380.412 0.771 20 0 GCADHM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571155222 952693446 /nfs/dbraw/zinc/69/34/46/952693446.db2.gz LDTUKPSLHFDIEV-HJIKLVIJSA-N -1 3 380.405 0.280 20 0 GCADHM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571155222 952693449 /nfs/dbraw/zinc/69/34/49/952693449.db2.gz LDTUKPSLHFDIEV-HJIKLVIJSA-N -1 3 380.405 0.280 20 0 GCADHM CC[C@@H](NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1)C(N)=O ZINC001571155204 952693713 /nfs/dbraw/zinc/69/37/13/952693713.db2.gz KSHZMZXTCBABNR-CQSZACIVSA-N -1 3 380.412 0.868 20 0 GCADHM CC[C@@H](NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1)C(N)=O ZINC001571155204 952693718 /nfs/dbraw/zinc/69/37/18/952693718.db2.gz KSHZMZXTCBABNR-CQSZACIVSA-N -1 3 380.412 0.868 20 0 GCADHM C[C@@H](C(N)=O)N1Cc2ccc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2C1 ZINC001571155239 952694695 /nfs/dbraw/zinc/69/46/95/952694695.db2.gz LNAHOVPQXMPVIC-JTQLQIEISA-N -1 3 380.412 0.314 20 0 GCADHM C[C@@H](C(N)=O)N1Cc2ccc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2C1 ZINC001571155239 952694699 /nfs/dbraw/zinc/69/46/99/952694699.db2.gz LNAHOVPQXMPVIC-JTQLQIEISA-N -1 3 380.412 0.314 20 0 GCADHM Cc1cc(N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)nc(C)n1 ZINC001571156095 952700978 /nfs/dbraw/zinc/70/09/78/952700978.db2.gz CEXXRIKZBGQXQA-SWLSCSKDSA-N -1 3 379.428 0.953 20 0 GCADHM Cc1cc(C)nc(N2C[C@@H]3[C@@H](CNC(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)n1 ZINC001571156642 952702017 /nfs/dbraw/zinc/70/20/17/952702017.db2.gz FXXUHIUYUQIIEP-XYYAHUGASA-N -1 3 379.428 0.714 20 0 GCADHM Cc1cc(C)nc(N2C[C@@H]3[C@@H](CNC(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)n1 ZINC001571156642 952702022 /nfs/dbraw/zinc/70/20/22/952702022.db2.gz FXXUHIUYUQIIEP-XYYAHUGASA-N -1 3 379.428 0.714 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001571157890 952708125 /nfs/dbraw/zinc/70/81/25/952708125.db2.gz BOOIUVPFRIHSRF-DGCLKSJQSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001571157890 952708127 /nfs/dbraw/zinc/70/81/27/952708127.db2.gz BOOIUVPFRIHSRF-DGCLKSJQSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)cn1 ZINC001571158447 952710969 /nfs/dbraw/zinc/71/09/69/952710969.db2.gz HUXGVMUINZRLDJ-LSDHHAIUSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)cn1 ZINC001571158447 952710973 /nfs/dbraw/zinc/71/09/73/952710973.db2.gz HUXGVMUINZRLDJ-LSDHHAIUSA-N -1 3 380.412 0.335 20 0 GCADHM COc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)nc1 ZINC001571158740 952714828 /nfs/dbraw/zinc/71/48/28/952714828.db2.gz NSOUKLAOGDBNKF-CYBMUJFWSA-N -1 3 380.412 0.603 20 0 GCADHM COc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)nc1 ZINC001571158740 952714833 /nfs/dbraw/zinc/71/48/33/952714833.db2.gz NSOUKLAOGDBNKF-CYBMUJFWSA-N -1 3 380.412 0.603 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnn2C)C3)n1 ZINC001571158933 952715979 /nfs/dbraw/zinc/71/59/79/952715979.db2.gz USGZSGQXKWPVTA-XBFCOCLRSA-N -1 3 379.428 0.843 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccnn2C)C3)n1 ZINC001571158933 952715980 /nfs/dbraw/zinc/71/59/80/952715980.db2.gz USGZSGQXKWPVTA-XBFCOCLRSA-N -1 3 379.428 0.843 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3cccnn3)C2)cc1-c1nnn[n-]1 ZINC001571159084 952716945 /nfs/dbraw/zinc/71/69/45/952716945.db2.gz QCSPELNDJAWJSC-CYBMUJFWSA-N -1 3 380.412 0.670 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H]2C)n1 ZINC001571159237 952717455 /nfs/dbraw/zinc/71/74/55/952717455.db2.gz RGYYVIMOBKACAK-NWDGAFQWSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H]2C)n1 ZINC001571159237 952717460 /nfs/dbraw/zinc/71/74/60/952717460.db2.gz RGYYVIMOBKACAK-NWDGAFQWSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571159502 952719162 /nfs/dbraw/zinc/71/91/62/952719162.db2.gz WRVKOEDJADLHLW-CYBMUJFWSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571159502 952719168 /nfs/dbraw/zinc/71/91/68/952719168.db2.gz WRVKOEDJADLHLW-CYBMUJFWSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ccn1 ZINC001571159518 952719815 /nfs/dbraw/zinc/71/98/15/952719815.db2.gz XGVIPLVXHPVDRT-LBPRGKRZSA-N -1 3 380.412 0.790 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ccn1 ZINC001571159518 952719819 /nfs/dbraw/zinc/71/98/19/952719819.db2.gz XGVIPLVXHPVDRT-LBPRGKRZSA-N -1 3 380.412 0.790 20 0 GCADHM O=C(CCn1cccc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571160020 952723020 /nfs/dbraw/zinc/72/30/20/952723020.db2.gz ASAZQTIOKPBHKB-VIKVFOODSA-N -1 3 380.412 0.273 20 0 GCADHM O=C(CCn1cccc1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571160020 952723025 /nfs/dbraw/zinc/72/30/25/952723025.db2.gz ASAZQTIOKPBHKB-VIKVFOODSA-N -1 3 380.412 0.273 20 0 GCADHM O=C(c1ccc[nH]1)N1CC[C@@]2(C1)CN(c1ncccc1-c1nnn[n-]1)CCO2 ZINC001571160056 952723389 /nfs/dbraw/zinc/72/33/89/952723389.db2.gz CBIVZLKPWQYHNY-SFHVURJKSA-N -1 3 380.412 0.711 20 0 GCADHM O=C(c1ccc[nH]1)N1CC[C@@]2(C1)CN(c1ncccc1-c1nn[n-]n1)CCO2 ZINC001571160056 952723390 /nfs/dbraw/zinc/72/33/90/952723390.db2.gz CBIVZLKPWQYHNY-SFHVURJKSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1ccn(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c(=O)c1 ZINC001571160237 952723934 /nfs/dbraw/zinc/72/39/34/952723934.db2.gz FPAUNCUXUUFBHQ-CQSZACIVSA-N -1 3 380.412 0.127 20 0 GCADHM Cc1ccn(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c(=O)c1 ZINC001571160237 952723937 /nfs/dbraw/zinc/72/39/37/952723937.db2.gz FPAUNCUXUUFBHQ-CQSZACIVSA-N -1 3 380.412 0.127 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2)c1ccc[nH]1 ZINC001571160259 952723997 /nfs/dbraw/zinc/72/39/97/952723997.db2.gz FXVGKTHTLHRWQI-SGTLLEGYSA-N -1 3 380.412 0.948 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2)c1ccc[nH]1 ZINC001571160259 952723999 /nfs/dbraw/zinc/72/39/99/952723999.db2.gz FXVGKTHTLHRWQI-SGTLLEGYSA-N -1 3 380.412 0.948 20 0 GCADHM O=C(NC1CN(Cc2ccccc2-c2nnn[n-]2)C1)c1cnc2n1CCOC2 ZINC001571160281 952724747 /nfs/dbraw/zinc/72/47/47/952724747.db2.gz GJHVQDNQQZKVBL-UHFFFAOYSA-N -1 3 380.412 0.208 20 0 GCADHM O=C(NC1CN(Cc2ccccc2-c2nn[n-]n2)C1)c1cnc2n1CCOC2 ZINC001571160281 952724750 /nfs/dbraw/zinc/72/47/50/952724750.db2.gz GJHVQDNQQZKVBL-UHFFFAOYSA-N -1 3 380.412 0.208 20 0 GCADHM Cc1ccn(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(=O)c1 ZINC001571160361 952725939 /nfs/dbraw/zinc/72/59/39/952725939.db2.gz HROMJITXPHQDPT-AWEZNQCLSA-N -1 3 380.412 0.445 20 0 GCADHM Cc1ccn(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c(=O)c1 ZINC001571160361 952725944 /nfs/dbraw/zinc/72/59/44/952725944.db2.gz HROMJITXPHQDPT-AWEZNQCLSA-N -1 3 380.412 0.445 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571160576 952727624 /nfs/dbraw/zinc/72/76/24/952727624.db2.gz JLIAVJZKLLITGX-LBPRGKRZSA-N -1 3 380.412 0.359 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571160576 952727626 /nfs/dbraw/zinc/72/76/26/952727626.db2.gz JLIAVJZKLLITGX-LBPRGKRZSA-N -1 3 380.412 0.359 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001571160839 952728213 /nfs/dbraw/zinc/72/82/13/952728213.db2.gz MWJRBRPVUVJITG-CYBMUJFWSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001571160839 952728216 /nfs/dbraw/zinc/72/82/16/952728216.db2.gz MWJRBRPVUVJITG-CYBMUJFWSA-N -1 3 380.412 0.885 20 0 GCADHM O=C(c1cc[nH]c1)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)cn1)CCO2 ZINC001571160830 952728782 /nfs/dbraw/zinc/72/87/82/952728782.db2.gz MVMLMVOTTNETFI-SFHVURJKSA-N -1 3 380.412 0.711 20 0 GCADHM O=C(c1cc[nH]c1)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)cn1)CCO2 ZINC001571160830 952728788 /nfs/dbraw/zinc/72/87/88/952728788.db2.gz MVMLMVOTTNETFI-SFHVURJKSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1cnccc1C(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161002 952729601 /nfs/dbraw/zinc/72/96/01/952729601.db2.gz OLYJCXAVHXKULG-LLVKDONJSA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cnccc1C(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161002 952729606 /nfs/dbraw/zinc/72/96/06/952729606.db2.gz OLYJCXAVHXKULG-LLVKDONJSA-N -1 3 380.412 0.789 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1)c1ncccn1 ZINC001571160978 952729772 /nfs/dbraw/zinc/72/97/72/952729772.db2.gz OCFZOQOBWJJGML-AWEZNQCLSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1)c1ncccn1 ZINC001571160978 952729780 /nfs/dbraw/zinc/72/97/80/952729780.db2.gz OCFZOQOBWJJGML-AWEZNQCLSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1cccc(-c2nnn[n-]2)c1)c1cnccn1 ZINC001571161030 952730153 /nfs/dbraw/zinc/73/01/53/952730153.db2.gz OZJRMHHJKFCOIW-OAHLLOKOSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1cccc(-c2nn[n-]n2)c1)c1cnccn1 ZINC001571161030 952730157 /nfs/dbraw/zinc/73/01/57/952730157.db2.gz OZJRMHHJKFCOIW-OAHLLOKOSA-N -1 3 380.412 0.288 20 0 GCADHM Cn1ccc(C(=O)N2CC3(C2)CCN(C(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)c1 ZINC001571161066 952730644 /nfs/dbraw/zinc/73/06/44/952730644.db2.gz PWDYAGQMCQMWBX-UHFFFAOYSA-N -1 3 380.412 0.522 20 0 GCADHM Cn1ccc(C(=O)N2CC3(C2)CCN(C(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)c1 ZINC001571161066 952730649 /nfs/dbraw/zinc/73/06/49/952730649.db2.gz PWDYAGQMCQMWBX-UHFFFAOYSA-N -1 3 380.412 0.522 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)cc1=O ZINC001571161077 952730887 /nfs/dbraw/zinc/73/08/87/952730887.db2.gz QBWQMKXCLTVFJR-LBPRGKRZSA-N -1 3 380.412 0.217 20 0 GCADHM Cn1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)cc1=O ZINC001571161077 952730896 /nfs/dbraw/zinc/73/08/96/952730896.db2.gz QBWQMKXCLTVFJR-LBPRGKRZSA-N -1 3 380.412 0.217 20 0 GCADHM O=C(Cc1cnoc1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571161082 952730934 /nfs/dbraw/zinc/73/09/34/952730934.db2.gz QDGIEXUZTFKFOL-GLQYFDAESA-N -1 3 380.412 0.966 20 0 GCADHM O=C(Cc1cnoc1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571161082 952730936 /nfs/dbraw/zinc/73/09/36/952730936.db2.gz QDGIEXUZTFKFOL-GLQYFDAESA-N -1 3 380.412 0.966 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571161281 952732153 /nfs/dbraw/zinc/73/21/53/952732153.db2.gz UEGMTSWXZQUHMT-CYBMUJFWSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571161281 952732155 /nfs/dbraw/zinc/73/21/55/952732155.db2.gz UEGMTSWXZQUHMT-CYBMUJFWSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1nc(N2C[C@@H](C)[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)ccc1-c1nnn[n-]1 ZINC001571161613 952733884 /nfs/dbraw/zinc/73/38/84/952733884.db2.gz YTNZLYBQTIPFAY-QMTHXVAHSA-N -1 3 380.412 0.925 20 0 GCADHM Cc1nc(N2C[C@@H](C)[C@H](NC(=O)c3cc[nH]c(=O)c3)C2)ccc1-c1nn[n-]n1 ZINC001571161613 952733887 /nfs/dbraw/zinc/73/38/87/952733887.db2.gz YTNZLYBQTIPFAY-QMTHXVAHSA-N -1 3 380.412 0.925 20 0 GCADHM C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571162115 952738878 /nfs/dbraw/zinc/73/88/78/952738878.db2.gz KMZFMSOGBVDZKG-WDEREUQCSA-N -1 3 380.416 0.454 20 0 GCADHM C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571162115 952738883 /nfs/dbraw/zinc/73/88/83/952738883.db2.gz KMZFMSOGBVDZKG-WDEREUQCSA-N -1 3 380.416 0.454 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571162260 952740591 /nfs/dbraw/zinc/74/05/91/952740591.db2.gz OYIFQGGRYJBTBU-TXEJJXNPSA-N -1 3 380.416 0.111 20 0 GCADHM C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571162405 952743393 /nfs/dbraw/zinc/74/33/93/952743393.db2.gz STYHLDQSXMUZRC-CZIZLABSSA-N -1 3 380.416 0.269 20 0 GCADHM C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571162405 952743397 /nfs/dbraw/zinc/74/33/97/952743397.db2.gz STYHLDQSXMUZRC-CZIZLABSSA-N -1 3 380.416 0.269 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C23CCC3)n1 ZINC001571165125 952746839 /nfs/dbraw/zinc/74/68/39/952746839.db2.gz CMFDGZKEULXKRC-UONOGXRCSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C23CCC3)n1 ZINC001571165125 952746840 /nfs/dbraw/zinc/74/68/40/952746840.db2.gz CMFDGZKEULXKRC-UONOGXRCSA-N -1 3 380.416 0.543 20 0 GCADHM O=C(Cc1cc[nH]n1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nn3)C2)C1 ZINC001571165024 952746850 /nfs/dbraw/zinc/74/68/50/952746850.db2.gz BAOABAGVNNUSLF-QGZVFWFLSA-N -1 3 380.416 0.051 20 0 GCADHM O=C(Cc1cc[nH]n1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001571165024 952746853 /nfs/dbraw/zinc/74/68/53/952746853.db2.gz BAOABAGVNNUSLF-QGZVFWFLSA-N -1 3 380.416 0.051 20 0 GCADHM O=C(Cn1cncn1)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571165144 952747106 /nfs/dbraw/zinc/74/71/06/952747106.db2.gz DDHZKGDRCQMALA-CQSZACIVSA-N -1 3 380.416 0.029 20 0 GCADHM O=C(Cn1cncn1)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571165144 952747111 /nfs/dbraw/zinc/74/71/11/952747111.db2.gz DDHZKGDRCQMALA-CQSZACIVSA-N -1 3 380.416 0.029 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001571165475 952750930 /nfs/dbraw/zinc/75/09/30/952750930.db2.gz HUNHOGXFUCRVQR-OLZOCXBDSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001571165475 952750933 /nfs/dbraw/zinc/75/09/33/952750933.db2.gz HUNHOGXFUCRVQR-OLZOCXBDSA-N -1 3 380.416 0.543 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571165480 952751333 /nfs/dbraw/zinc/75/13/33/952751333.db2.gz HVQVWFVUQKRZBO-KBPBESRZSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@H]2[C@@H]1CCN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571165480 952751335 /nfs/dbraw/zinc/75/13/35/952751335.db2.gz HVQVWFVUQKRZBO-KBPBESRZSA-N -1 3 380.416 0.192 20 0 GCADHM COc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)[C@H](C)C2)cc1-c1nnn[n-]1 ZINC001571165559 952752461 /nfs/dbraw/zinc/75/24/61/952752461.db2.gz DZOBPDBFWUMNDD-KOLCDFICSA-N -1 3 380.430 0.963 20 0 GCADHM COc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001571165559 952752466 /nfs/dbraw/zinc/75/24/66/952752466.db2.gz DZOBPDBFWUMNDD-KOLCDFICSA-N -1 3 380.430 0.963 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2CC23CCN(c2ncccc2-c2nnn[n-]2)CC3)n1 ZINC001571165499 952752476 /nfs/dbraw/zinc/75/24/76/952752476.db2.gz IIZYNJJUDXEYIJ-GFCCVEGCSA-N -1 3 380.416 0.179 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2CC23CCN(c2ncccc2-c2nn[n-]n2)CC3)n1 ZINC001571165499 952752481 /nfs/dbraw/zinc/75/24/81/952752481.db2.gz IIZYNJJUDXEYIJ-GFCCVEGCSA-N -1 3 380.416 0.179 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571165592 952753420 /nfs/dbraw/zinc/75/34/20/952753420.db2.gz GHVISTSQISEQDJ-MWLCHTKSSA-N -1 3 380.434 0.101 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571165592 952753421 /nfs/dbraw/zinc/75/34/21/952753421.db2.gz GHVISTSQISEQDJ-MWLCHTKSSA-N -1 3 380.434 0.101 20 0 GCADHM O=C(N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571165787 952755105 /nfs/dbraw/zinc/75/51/05/952755105.db2.gz KRJMGMXPBJWSDA-IJLUTSLNSA-N -1 3 380.416 0.269 20 0 GCADHM O=C(N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571165787 952755107 /nfs/dbraw/zinc/75/51/07/952755107.db2.gz KRJMGMXPBJWSDA-IJLUTSLNSA-N -1 3 380.416 0.269 20 0 GCADHM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2)c1ccn[nH]1 ZINC001571165989 952757119 /nfs/dbraw/zinc/75/71/19/952757119.db2.gz MKKIEGSYUWHVLK-CXAGYDPISA-N -1 3 380.416 0.559 20 0 GCADHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571166110 952758513 /nfs/dbraw/zinc/75/85/13/952758513.db2.gz NYRBJNUEKKYVQV-VXGBXAGGSA-N -1 3 380.416 0.008 20 0 GCADHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571166110 952758517 /nfs/dbraw/zinc/75/85/17/952758517.db2.gz NYRBJNUEKKYVQV-VXGBXAGGSA-N -1 3 380.416 0.008 20 0 GCADHM O=C(NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571166148 952758903 /nfs/dbraw/zinc/75/89/03/952758903.db2.gz ORQLTSBNAKRXQW-KIDURHIOSA-N -1 3 380.416 0.490 20 0 GCADHM O=C(NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571166148 952758905 /nfs/dbraw/zinc/75/89/05/952758905.db2.gz ORQLTSBNAKRXQW-KIDURHIOSA-N -1 3 380.416 0.490 20 0 GCADHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166309 952759492 /nfs/dbraw/zinc/75/94/92/952759492.db2.gz QPHXEDCXDUITPZ-IJLUTSLNSA-N -1 3 380.416 0.207 20 0 GCADHM Cc1ncc(C(=O)N[C@@]23CCC[C@@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)[nH]1 ZINC001571166502 952761470 /nfs/dbraw/zinc/76/14/70/952761470.db2.gz SRPJFVAUAFMHAU-SUMWQHHRSA-N -1 3 380.416 0.620 20 0 GCADHM O=C([C@@H]1CCCc2n[nH]cc21)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571166447 952762072 /nfs/dbraw/zinc/76/20/72/952762072.db2.gz RUAKHEMDIVVHLY-LLVKDONJSA-N -1 3 380.416 0.149 20 0 GCADHM Cc1ncc(C(=O)N[C@]23CCC[C@@H]2N(c2ccc(-c4nnn[n-]4)nn2)CC3)[nH]1 ZINC001571166497 952762094 /nfs/dbraw/zinc/76/20/94/952762094.db2.gz SRPJFVAUAFMHAU-GUYCJALGSA-N -1 3 380.416 0.620 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2cncn2C1 ZINC001571166440 952762137 /nfs/dbraw/zinc/76/21/37/952762137.db2.gz ROZMGANPVXVNLR-SRVKXCTJSA-N -1 3 380.416 0.175 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571166484 952762179 /nfs/dbraw/zinc/76/21/79/952762179.db2.gz SJZCUKXFRZUVPT-QGZVFWFLSA-N -1 3 380.416 0.051 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571166484 952762183 /nfs/dbraw/zinc/76/21/83/952762183.db2.gz SJZCUKXFRZUVPT-QGZVFWFLSA-N -1 3 380.416 0.051 20 0 GCADHM COC(=O)C1CCC(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)CC1 ZINC001571166579 952762765 /nfs/dbraw/zinc/76/27/65/952762765.db2.gz NFYVVEGMWFCMQG-UHFFFAOYSA-N -1 3 380.430 0.413 20 0 GCADHM COC(=O)C1CCC(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)CC1 ZINC001571166579 952762770 /nfs/dbraw/zinc/76/27/70/952762770.db2.gz NFYVVEGMWFCMQG-UHFFFAOYSA-N -1 3 380.430 0.413 20 0 GCADHM Cc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3nccnc3N)C2)ccc1-c1nnn[n-]1 ZINC001571166797 952765450 /nfs/dbraw/zinc/76/54/50/952765450.db2.gz WIDMEXGEMOVNTK-GXSJLCMTSA-N -1 3 380.416 0.657 20 0 GCADHM Cc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3nccnc3N)C2)ccc1-c1nn[n-]n1 ZINC001571166797 952765452 /nfs/dbraw/zinc/76/54/52/952765452.db2.gz WIDMEXGEMOVNTK-GXSJLCMTSA-N -1 3 380.416 0.657 20 0 GCADHM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571166949 952767985 /nfs/dbraw/zinc/76/79/85/952767985.db2.gz ZBKBJLYASNQWOJ-DDHJBXDOSA-N -1 3 380.416 0.490 20 0 GCADHM O=C(NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571166949 952767986 /nfs/dbraw/zinc/76/79/86/952767986.db2.gz ZBKBJLYASNQWOJ-DDHJBXDOSA-N -1 3 380.416 0.490 20 0 GCADHM Cc1cc(=O)oc(C)c1C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571169985 952781613 /nfs/dbraw/zinc/78/16/13/952781613.db2.gz BTOBQYYETYOTMF-UHFFFAOYSA-N -1 3 381.396 0.794 20 0 GCADHM Cc1cc(=O)oc(C)c1C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571169985 952781615 /nfs/dbraw/zinc/78/16/15/952781615.db2.gz BTOBQYYETYOTMF-UHFFFAOYSA-N -1 3 381.396 0.794 20 0 GCADHM CC[C@H](F)C(=O)N1CCC(O)(CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571170715 952788397 /nfs/dbraw/zinc/78/83/97/952788397.db2.gz KXTPVRVSINXJEW-NSHDSACASA-N -1 3 381.387 0.914 20 0 GCADHM CC[C@H](F)C(=O)N1CCC(O)(CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571170715 952788401 /nfs/dbraw/zinc/78/84/01/952788401.db2.gz KXTPVRVSINXJEW-NSHDSACASA-N -1 3 381.387 0.914 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571170788 952788852 /nfs/dbraw/zinc/78/88/52/952788852.db2.gz LMKYTCNGHADWNN-LBPRGKRZSA-N -1 3 381.400 0.720 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571170788 952788855 /nfs/dbraw/zinc/78/88/55/952788855.db2.gz LMKYTCNGHADWNN-LBPRGKRZSA-N -1 3 381.400 0.720 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571171137 952791742 /nfs/dbraw/zinc/79/17/42/952791742.db2.gz PVNIRZCGUURSNF-ZYHUDNBSSA-N -1 3 381.400 0.720 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571171137 952791748 /nfs/dbraw/zinc/79/17/48/952791748.db2.gz PVNIRZCGUURSNF-ZYHUDNBSSA-N -1 3 381.400 0.720 20 0 GCADHM C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571171615 952794633 /nfs/dbraw/zinc/79/46/33/952794633.db2.gz UCMRFTIKFJFJMO-JQWIXIFHSA-N -1 3 381.400 0.578 20 0 GCADHM C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571171615 952794641 /nfs/dbraw/zinc/79/46/41/952794641.db2.gz UCMRFTIKFJFJMO-JQWIXIFHSA-N -1 3 381.400 0.578 20 0 GCADHM C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571171614 952795005 /nfs/dbraw/zinc/79/50/05/952795005.db2.gz UCMRFTIKFJFJMO-CMPLNLGQSA-N -1 3 381.400 0.578 20 0 GCADHM C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571171614 952795010 /nfs/dbraw/zinc/79/50/10/952795010.db2.gz UCMRFTIKFJFJMO-CMPLNLGQSA-N -1 3 381.400 0.578 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ncccn1 ZINC001571171612 952795211 /nfs/dbraw/zinc/79/52/11/952795211.db2.gz UATDFHHMVLJJRU-WCQYABFASA-N -1 3 381.400 0.408 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ncccn1 ZINC001571171612 952795213 /nfs/dbraw/zinc/79/52/13/952795213.db2.gz UATDFHHMVLJJRU-WCQYABFASA-N -1 3 381.400 0.408 20 0 GCADHM COC(=O)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@H]2C[C@H]21 ZINC001571171671 952795705 /nfs/dbraw/zinc/79/57/05/952795705.db2.gz VXTPIFYUYYQJHY-KLBPJQLPSA-N -1 3 381.389 0.482 20 0 GCADHM Cc1c[nH]c(CC(N)=O)c1C(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571171791 952796650 /nfs/dbraw/zinc/79/66/50/952796650.db2.gz WHMCLSLNUFQMEN-UHFFFAOYSA-N -1 3 381.396 0.434 20 0 GCADHM O=C(COc1ccccc1)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571171809 952798108 /nfs/dbraw/zinc/79/81/08/952798108.db2.gz XDDSNEMJZALTTM-ZDUSSCGKSA-N -1 3 381.396 0.605 20 0 GCADHM O=C(COc1ccccc1)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571171809 952798110 /nfs/dbraw/zinc/79/81/10/952798110.db2.gz XDDSNEMJZALTTM-ZDUSSCGKSA-N -1 3 381.396 0.605 20 0 GCADHM O=C(Cc1nc[nH]n1)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571172046 952801395 /nfs/dbraw/zinc/80/13/95/952801395.db2.gz LDIMKYDNFBLEJE-LURJTMIESA-N -1 3 380.825 0.032 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)[C@H]1Cc2ccccc2C(=O)O1 ZINC001571172844 952810201 /nfs/dbraw/zinc/81/02/01/952810201.db2.gz ZHPFWGOOMBMIJZ-LLVKDONJSA-N -1 3 381.352 0.314 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)[C@H]1Cc2ccccc2C(=O)O1 ZINC001571172844 952810211 /nfs/dbraw/zinc/81/02/11/952810211.db2.gz ZHPFWGOOMBMIJZ-LLVKDONJSA-N -1 3 381.352 0.314 20 0 GCADHM COc1cncc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571174611 952811428 /nfs/dbraw/zinc/81/14/28/952811428.db2.gz BZCJRQGAPCHGNK-GFCCVEGCSA-N -1 3 381.400 0.411 20 0 GCADHM COc1cncc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571174611 952811433 /nfs/dbraw/zinc/81/14/33/952811433.db2.gz BZCJRQGAPCHGNK-GFCCVEGCSA-N -1 3 381.400 0.411 20 0 GCADHM COc1ncc(C(=O)N[C@@]2(C)CCN(c3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571174619 952811451 /nfs/dbraw/zinc/81/14/51/952811451.db2.gz CBEYQLXSERFHHB-KRWDZBQOSA-N -1 3 381.400 0.459 20 0 GCADHM COc1ncc(C(=O)N[C@@]2(C)CCN(c3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571174619 952811459 /nfs/dbraw/zinc/81/14/59/952811459.db2.gz CBEYQLXSERFHHB-KRWDZBQOSA-N -1 3 381.400 0.459 20 0 GCADHM COc1nccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@@H]2C)n1 ZINC001571174711 952812942 /nfs/dbraw/zinc/81/29/42/952812942.db2.gz FZTHISWHWFIITA-JQWIXIFHSA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@@H]2C)n1 ZINC001571174711 952812948 /nfs/dbraw/zinc/81/29/48/952812948.db2.gz FZTHISWHWFIITA-JQWIXIFHSA-N -1 3 381.400 0.775 20 0 GCADHM Cc1cc(C(=O)NCC2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cnn1 ZINC001571174808 952814276 /nfs/dbraw/zinc/81/42/76/952814276.db2.gz ITCPEYIXPMQIAE-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1cc(C(=O)NCC2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cnn1 ZINC001571174808 952814280 /nfs/dbraw/zinc/81/42/80/952814280.db2.gz ITCPEYIXPMQIAE-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)ncn1 ZINC001571175086 952817954 /nfs/dbraw/zinc/81/79/54/952817954.db2.gz PCEDQFJYAGYNHS-QWRGUYRKSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)ncn1 ZINC001571175086 952817963 /nfs/dbraw/zinc/81/79/63/952817963.db2.gz PCEDQFJYAGYNHS-QWRGUYRKSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CN(C(=O)c3cncnc3)CCO2)n1 ZINC001571175121 952818595 /nfs/dbraw/zinc/81/85/95/952818595.db2.gz PXCABMWEIRGBBI-CYBMUJFWSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CN(C(=O)c3cncnc3)CCO2)n1 ZINC001571175121 952818603 /nfs/dbraw/zinc/81/86/03/952818603.db2.gz PXCABMWEIRGBBI-CYBMUJFWSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)n1 ZINC001571175323 952819082 /nfs/dbraw/zinc/81/90/82/952819082.db2.gz SKLRHTRLFZORPA-JTQLQIEISA-N -1 3 381.400 0.324 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)c3ccc(C(N)=O)[nH]3)C2)n1 ZINC001571175323 952819084 /nfs/dbraw/zinc/81/90/84/952819084.db2.gz SKLRHTRLFZORPA-JTQLQIEISA-N -1 3 381.400 0.324 20 0 GCADHM Cc1nc(NC2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)ccc1-c1nnn[n-]1 ZINC001571175420 952822089 /nfs/dbraw/zinc/82/20/89/952822089.db2.gz CFSJDRDYHJCADH-UHFFFAOYSA-N -1 3 381.400 0.274 20 0 GCADHM Cc1nc(NC2CC(CNC(=O)c3c[nH]c(=O)cn3)C2)ccc1-c1nn[n-]n1 ZINC001571175420 952822097 /nfs/dbraw/zinc/82/20/97/952822097.db2.gz CFSJDRDYHJCADH-UHFFFAOYSA-N -1 3 381.400 0.274 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnn1 ZINC001571175430 952822602 /nfs/dbraw/zinc/82/26/02/952822602.db2.gz CKRRAUQDHBSSJF-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnn1 ZINC001571175430 952822604 /nfs/dbraw/zinc/82/26/04/952822604.db2.gz CKRRAUQDHBSSJF-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM Cc1cc(C(=O)NCC2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cnn1 ZINC001571175642 952823319 /nfs/dbraw/zinc/82/33/19/952823319.db2.gz YEBDHFYYVFXHIA-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1cc(C(=O)NCC2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cnn1 ZINC001571175642 952823322 /nfs/dbraw/zinc/82/33/22/952823322.db2.gz YEBDHFYYVFXHIA-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1O ZINC001571175677 952823678 /nfs/dbraw/zinc/82/36/78/952823678.db2.gz DZZMLDBQECMNAI-GHMZBOCLSA-N -1 3 381.400 0.768 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571175723 952824767 /nfs/dbraw/zinc/82/47/67/952824767.db2.gz GILDHVWKOPFEEJ-NSHDSACASA-N -1 3 381.400 0.088 20 0 GCADHM NC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571175723 952824772 /nfs/dbraw/zinc/82/47/72/952824772.db2.gz GILDHVWKOPFEEJ-NSHDSACASA-N -1 3 381.400 0.088 20 0 GCADHM Cc1ncncc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001571175762 952825900 /nfs/dbraw/zinc/82/59/00/952825900.db2.gz GVLLPYDTUBSKLF-ONGXEEELSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ncncc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571175762 952825903 /nfs/dbraw/zinc/82/59/03/952825903.db2.gz GVLLPYDTUBSKLF-ONGXEEELSA-N -1 3 381.400 0.326 20 0 GCADHM COc1ccnc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571175770 952826572 /nfs/dbraw/zinc/82/65/72/952826572.db2.gz ZCWYPHGOWDGLDN-TXEJJXNPSA-N -1 3 381.400 0.487 20 0 GCADHM COc1ccnc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571175770 952826574 /nfs/dbraw/zinc/82/65/74/952826574.db2.gz ZCWYPHGOWDGLDN-TXEJJXNPSA-N -1 3 381.400 0.487 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2cnccn2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571176103 952827494 /nfs/dbraw/zinc/82/74/94/952827494.db2.gz KZFXOQULNHUPLO-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2cnccn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571176103 952827498 /nfs/dbraw/zinc/82/74/98/952827498.db2.gz KZFXOQULNHUPLO-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM NC(=O)CC1CC(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC001571176296 952829472 /nfs/dbraw/zinc/82/94/72/952829472.db2.gz OLEUZJBMKOEQFA-UHFFFAOYSA-N -1 3 381.400 0.018 20 0 GCADHM NC(=O)CC1CC(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC001571176296 952829480 /nfs/dbraw/zinc/82/94/80/952829480.db2.gz OLEUZJBMKOEQFA-UHFFFAOYSA-N -1 3 381.400 0.018 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccncn1 ZINC001571176310 952830601 /nfs/dbraw/zinc/83/06/01/952830601.db2.gz OWODPVLYNBYVKN-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccncn1 ZINC001571176310 952830607 /nfs/dbraw/zinc/83/06/07/952830607.db2.gz OWODPVLYNBYVKN-NSHDSACASA-N -1 3 381.400 0.267 20 0 GCADHM Cc1ccnc(C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571176340 952830883 /nfs/dbraw/zinc/83/08/83/952830883.db2.gz PVOUSHPVMWPXDR-GFCCVEGCSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1ccnc(C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571176340 952830891 /nfs/dbraw/zinc/83/08/91/952830891.db2.gz PVOUSHPVMWPXDR-GFCCVEGCSA-N -1 3 381.400 0.280 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2cccnn2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571176463 952831554 /nfs/dbraw/zinc/83/15/54/952831554.db2.gz RDYQRKIEYSLNTQ-GHMZBOCLSA-N -1 3 381.400 0.313 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2cccnn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571176463 952831557 /nfs/dbraw/zinc/83/15/57/952831557.db2.gz RDYQRKIEYSLNTQ-GHMZBOCLSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1nc(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)c(=O)[nH]c1C ZINC001571176571 952833105 /nfs/dbraw/zinc/83/31/05/952833105.db2.gz UZGNMXJWVRMCSQ-NSHDSACASA-N -1 3 381.400 0.288 20 0 GCADHM Cc1nc(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)c(=O)[nH]c1C ZINC001571176571 952833110 /nfs/dbraw/zinc/83/31/10/952833110.db2.gz UZGNMXJWVRMCSQ-NSHDSACASA-N -1 3 381.400 0.288 20 0 GCADHM O=C(N[C@H]1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001571176860 952835749 /nfs/dbraw/zinc/83/57/49/952835749.db2.gz YXWNGKUBBCETBH-MNOVXSKESA-N -1 3 381.400 0.910 20 0 GCADHM O=C(N[C@H]1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)c1ccc(=O)[nH]n1 ZINC001571176860 952835752 /nfs/dbraw/zinc/83/57/52/952835752.db2.gz YXWNGKUBBCETBH-MNOVXSKESA-N -1 3 381.400 0.910 20 0 GCADHM O=C(c1cn[nH]c(=O)c1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571178366 952839096 /nfs/dbraw/zinc/83/90/96/952839096.db2.gz GQUMHIBOBAYDSJ-ZDUSSCGKSA-N -1 3 381.400 0.864 20 0 GCADHM O=C(c1cn[nH]c(=O)c1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571178366 952839107 /nfs/dbraw/zinc/83/91/07/952839107.db2.gz GQUMHIBOBAYDSJ-ZDUSSCGKSA-N -1 3 381.400 0.864 20 0 GCADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1C[C@@H](O)CC[C@H]1C ZINC001571178778 952847729 /nfs/dbraw/zinc/84/77/29/952847729.db2.gz UDYANIQIOANDSY-KOLCDFICSA-N -1 3 381.414 0.187 20 0 GCADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1C[C@@H](O)CC[C@H]1C ZINC001571178778 952847736 /nfs/dbraw/zinc/84/77/36/952847736.db2.gz UDYANIQIOANDSY-KOLCDFICSA-N -1 3 381.414 0.187 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571179504 952853484 /nfs/dbraw/zinc/85/34/84/952853484.db2.gz FJLVRBLKKJKCGM-XVNWVISYSA-N -1 3 381.440 0.772 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571179504 952853492 /nfs/dbraw/zinc/85/34/92/952853492.db2.gz FJLVRBLKKJKCGM-XVNWVISYSA-N -1 3 381.440 0.772 20 0 GCADHM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571179484 952853767 /nfs/dbraw/zinc/85/37/67/952853767.db2.gz FCFWQFSEBNPOLJ-UFZZPABASA-N -1 3 381.440 0.946 20 0 GCADHM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571179484 952853774 /nfs/dbraw/zinc/85/37/74/952853774.db2.gz FCFWQFSEBNPOLJ-UFZZPABASA-N -1 3 381.440 0.946 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCN1c1ncccc1-c1nnn[n-]1 ZINC001571183970 952886249 /nfs/dbraw/zinc/88/62/49/952886249.db2.gz NSYNHMXHEOSHEN-LSDHHAIUSA-N -1 3 381.444 0.711 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCN1c1ncccc1-c1nn[n-]n1 ZINC001571183970 952886252 /nfs/dbraw/zinc/88/62/52/952886252.db2.gz NSYNHMXHEOSHEN-LSDHHAIUSA-N -1 3 381.444 0.711 20 0 GCADHM CCc1nn(C)cc1C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571184098 952887660 /nfs/dbraw/zinc/88/76/60/952887660.db2.gz QMRNVZWDJHZQHU-GOSISDBHSA-N -1 3 381.444 0.956 20 0 GCADHM CCc1nn(C)cc1C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571184098 952887665 /nfs/dbraw/zinc/88/76/65/952887665.db2.gz QMRNVZWDJHZQHU-GOSISDBHSA-N -1 3 381.444 0.956 20 0 GCADHM CCc1cc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)nn1C ZINC001571184173 952888920 /nfs/dbraw/zinc/88/89/20/952888920.db2.gz SNFYJMIQWCQBAB-UHFFFAOYSA-N -1 3 381.444 0.910 20 0 GCADHM CCc1cc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)nn1C ZINC001571184173 952888925 /nfs/dbraw/zinc/88/89/25/952888925.db2.gz SNFYJMIQWCQBAB-UHFFFAOYSA-N -1 3 381.444 0.910 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571185256 952901017 /nfs/dbraw/zinc/90/10/17/952901017.db2.gz JZWKXQHYJCGWTE-ZDUSSCGKSA-N -1 3 381.444 0.523 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571185256 952901022 /nfs/dbraw/zinc/90/10/22/952901022.db2.gz JZWKXQHYJCGWTE-ZDUSSCGKSA-N -1 3 381.444 0.523 20 0 GCADHM CN(CC1CCN(C(=O)Cc2cc[nH]n2)CC1)c1ncccc1-c1nn[n-]n1 ZINC001571186672 952909265 /nfs/dbraw/zinc/90/92/65/952909265.db2.gz ZKUYHRZTEIXPCE-UHFFFAOYSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N(C)[C@@H]2CCN(C(=O)CCn3ccnc3)C2)n1 ZINC001571188198 952912773 /nfs/dbraw/zinc/91/27/73/952912773.db2.gz HZUHJPVWMOAACT-CQSZACIVSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)[C@@H]2CCN(C(=O)CCn3ccnc3)C2)n1 ZINC001571188198 952912774 /nfs/dbraw/zinc/91/27/74/952912774.db2.gz HZUHJPVWMOAACT-CQSZACIVSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571188343 952913654 /nfs/dbraw/zinc/91/36/54/952913654.db2.gz IYIKMIHVJOUZRU-HIFRSBDPSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)[C@@H]2C)c1 ZINC001571188343 952913656 /nfs/dbraw/zinc/91/36/56/952913656.db2.gz IYIKMIHVJOUZRU-HIFRSBDPSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCCN(C(=O)Cc3cncn3C)C2)n1 ZINC001571188396 952914617 /nfs/dbraw/zinc/91/46/17/952914617.db2.gz KFJXZKAIQNILOI-ZDUSSCGKSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCCN(C(=O)Cc3cncn3C)C2)n1 ZINC001571188396 952914620 /nfs/dbraw/zinc/91/46/20/952914620.db2.gz KFJXZKAIQNILOI-ZDUSSCGKSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)Cc2ccn(C)n2)ccc1-c1nnn[n-]1 ZINC001571188511 952915862 /nfs/dbraw/zinc/91/58/62/952915862.db2.gz CFJAPGFUVBMGFQ-CQSZACIVSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)Cc2ccn(C)n2)ccc1-c1nn[n-]n1 ZINC001571188511 952915864 /nfs/dbraw/zinc/91/58/64/952915864.db2.gz CFJAPGFUVBMGFQ-CQSZACIVSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nc(N(C)[C@H]2CCN(C(=O)CCn3ccnc3)C2)ccc1-c1nn[n-]n1 ZINC001571188631 952918161 /nfs/dbraw/zinc/91/81/61/952918161.db2.gz FLYJMUYIFQJSQN-AWEZNQCLSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCN2C(=O)Cc2ccn(C)n2)n1 ZINC001571188855 952920462 /nfs/dbraw/zinc/92/04/62/952920462.db2.gz OEMMZOYLGYATCS-CQSZACIVSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCN2C(=O)Cc2ccn(C)n2)n1 ZINC001571188855 952920464 /nfs/dbraw/zinc/92/04/64/952920464.db2.gz OEMMZOYLGYATCS-CQSZACIVSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2CC[C@H](C)N(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571188916 952921577 /nfs/dbraw/zinc/92/15/77/952921577.db2.gz PPMUNVAPVICFAT-UONOGXRCSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2CC[C@H](C)N(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571188916 952921578 /nfs/dbraw/zinc/92/15/78/952921578.db2.gz PPMUNVAPVICFAT-UONOGXRCSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1ncc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)n1C ZINC001571188957 952922733 /nfs/dbraw/zinc/92/27/33/952922733.db2.gz KTSYPWXQVFCVJX-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1ncc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)n1C ZINC001571188957 952922735 /nfs/dbraw/zinc/92/27/35/952922735.db2.gz KTSYPWXQVFCVJX-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571189230 952927268 /nfs/dbraw/zinc/92/72/68/952927268.db2.gz SXCDWQQEMQKWCR-CYBMUJFWSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571189230 952927272 /nfs/dbraw/zinc/92/72/72/952927272.db2.gz SXCDWQQEMQKWCR-CYBMUJFWSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1nn(C)cc1C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571189399 952928939 /nfs/dbraw/zinc/92/89/39/952928939.db2.gz QWVLOGMNYAQQEA-CYBMUJFWSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1nn(C)cc1C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571189399 952928944 /nfs/dbraw/zinc/92/89/44/952928944.db2.gz QWVLOGMNYAQQEA-CYBMUJFWSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571189597 952932149 /nfs/dbraw/zinc/93/21/49/952932149.db2.gz XYTWRROSEGGVDO-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571189597 952932152 /nfs/dbraw/zinc/93/21/52/952932152.db2.gz XYTWRROSEGGVDO-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001571189783 952934478 /nfs/dbraw/zinc/93/44/78/952934478.db2.gz UQGXUSKZXIVEIY-SWLSCSKDSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001571189783 952934484 /nfs/dbraw/zinc/93/44/84/952934484.db2.gz UQGXUSKZXIVEIY-SWLSCSKDSA-N -1 3 381.444 0.948 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2cc3n(n2)CCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571189748 952935219 /nfs/dbraw/zinc/93/52/19/952935219.db2.gz TYJHFGANLADSPI-CYBMUJFWSA-N -1 3 381.444 0.732 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2cc3n(n2)CCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571189748 952935220 /nfs/dbraw/zinc/93/52/20/952935220.db2.gz TYJHFGANLADSPI-CYBMUJFWSA-N -1 3 381.444 0.732 20 0 GCADHM Cn1ccc(CC(=O)N[C@H]2CN(c3ncccc3-c3nnn[n-]3)CC2(C)C)n1 ZINC001571189925 952937800 /nfs/dbraw/zinc/93/78/00/952937800.db2.gz ZJLKACTYLXOZSY-AWEZNQCLSA-N -1 3 381.444 0.569 20 0 GCADHM Cn1ccc(CC(=O)N[C@H]2CN(c3ncccc3-c3nn[n-]n3)CC2(C)C)n1 ZINC001571189925 952937806 /nfs/dbraw/zinc/93/78/06/952937806.db2.gz ZJLKACTYLXOZSY-AWEZNQCLSA-N -1 3 381.444 0.569 20 0 GCADHM COC(=O)[C@H]1C[C@H](O)CN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001571190816 952944345 /nfs/dbraw/zinc/94/43/45/952944345.db2.gz MSHMLDBURQNMNE-WPRPVWTQSA-N -1 3 382.218 0.989 20 0 GCADHM COC(=O)[C@H]1C[C@H](O)CN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001571190816 952944349 /nfs/dbraw/zinc/94/43/49/952944349.db2.gz MSHMLDBURQNMNE-WPRPVWTQSA-N -1 3 382.218 0.989 20 0 GCADHM CN(CCNc1nc(C(C)(C)C)ccc1-c1nnn[n-]1)CCS(C)(=O)=O ZINC001571192240 952948598 /nfs/dbraw/zinc/94/85/98/952948598.db2.gz VKTDBIVNZOSJJZ-UHFFFAOYSA-N -1 3 381.506 0.948 20 0 GCADHM CN(CCNc1nc(C(C)(C)C)ccc1-c1nn[n-]n1)CCS(C)(=O)=O ZINC001571192240 952948603 /nfs/dbraw/zinc/94/86/03/952948603.db2.gz VKTDBIVNZOSJJZ-UHFFFAOYSA-N -1 3 381.506 0.948 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2C[C@H](CNC(=O)c3cnc[nH]c3=O)C2)n1 ZINC001571193734 952951853 /nfs/dbraw/zinc/95/18/53/952951853.db2.gz AQOWKAGWTBKBIS-MGCOHNPYSA-N -1 3 382.388 0.081 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571193897 952954341 /nfs/dbraw/zinc/95/43/41/952954341.db2.gz AOOBPXCMNSYOMH-GXSJLCMTSA-N -1 3 382.384 0.526 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571193897 952954349 /nfs/dbraw/zinc/95/43/49/952954349.db2.gz AOOBPXCMNSYOMH-GXSJLCMTSA-N -1 3 382.384 0.526 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CC2)c1ccon1 ZINC001571193952 952955993 /nfs/dbraw/zinc/95/59/93/952955993.db2.gz BPORLSMACWJJLB-CXAGYDPISA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2)c1ccon1 ZINC001571193952 952955999 /nfs/dbraw/zinc/95/59/99/952955999.db2.gz BPORLSMACWJJLB-CXAGYDPISA-N -1 3 382.384 0.750 20 0 GCADHM COC(=O)Cn1ccc(NC(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)n1 ZINC001571194033 952956289 /nfs/dbraw/zinc/95/62/89/952956289.db2.gz FDZZMQPEIRMSAL-CYBMUJFWSA-N -1 3 382.384 0.525 20 0 GCADHM COC(=O)Cn1ccc(NC(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)n1 ZINC001571194033 952956295 /nfs/dbraw/zinc/95/62/95/952956295.db2.gz FDZZMQPEIRMSAL-CYBMUJFWSA-N -1 3 382.384 0.525 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1conc1C1CC1 ZINC001571194463 952962830 /nfs/dbraw/zinc/96/28/30/952962830.db2.gz NQRKKJOZHABGNO-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1conc1C1CC1 ZINC001571194463 952962835 /nfs/dbraw/zinc/96/28/35/952962835.db2.gz NQRKKJOZHABGNO-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM O=C(Nc1cc(F)cc(-c2nnn[n-]2)c1)c1cc(N2CCNC(=O)C2)ccn1 ZINC001571194528 952964470 /nfs/dbraw/zinc/96/44/70/952964470.db2.gz OLUVPKOGHRPJRR-UHFFFAOYSA-N -1 3 382.359 0.589 20 0 GCADHM O=C(Nc1cc(F)cc(-c2nn[n-]n2)c1)c1cc(N2CCNC(=O)C2)ccn1 ZINC001571194528 952964473 /nfs/dbraw/zinc/96/44/73/952964473.db2.gz OLUVPKOGHRPJRR-UHFFFAOYSA-N -1 3 382.359 0.589 20 0 GCADHM COc1ncc(NC(=O)NCCc2ccc(-c3nnn[n-]3)cc2)cc1C(N)=O ZINC001571194650 952965315 /nfs/dbraw/zinc/96/53/15/952965315.db2.gz PSYRHLCBUKIEAO-UHFFFAOYSA-N -1 3 382.384 0.733 20 0 GCADHM COc1ncc(NC(=O)NCCc2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC001571194650 952965323 /nfs/dbraw/zinc/96/53/23/952965323.db2.gz PSYRHLCBUKIEAO-UHFFFAOYSA-N -1 3 382.384 0.733 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H](NC(=O)c3ccc(C(N)=O)o3)C2)n1 ZINC001571194675 952967054 /nfs/dbraw/zinc/96/70/54/952967054.db2.gz QHRCROQCUAUFSR-AOOOYVTPSA-N -1 3 382.384 0.635 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H](NC(=O)c3ccc(C(N)=O)o3)C2)n1 ZINC001571194675 952967057 /nfs/dbraw/zinc/96/70/57/952967057.db2.gz QHRCROQCUAUFSR-AOOOYVTPSA-N -1 3 382.384 0.635 20 0 GCADHM O=C(NCc1cncc(-c2nnn[n-]2)c1)c1cc(N2CCNC2=O)ccc1F ZINC001571194839 952969382 /nfs/dbraw/zinc/96/93/82/952969382.db2.gz SQSLBYDHZRUSDO-UHFFFAOYSA-N -1 3 382.359 0.860 20 0 GCADHM O=C(NCc1cncc(-c2nn[n-]n2)c1)c1cc(N2CCNC2=O)ccc1F ZINC001571194839 952969384 /nfs/dbraw/zinc/96/93/84/952969384.db2.gz SQSLBYDHZRUSDO-UHFFFAOYSA-N -1 3 382.359 0.860 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnco1)C2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571195030 952972153 /nfs/dbraw/zinc/97/21/53/952972153.db2.gz WPHREXNUURRZLD-DLOVCJGASA-N -1 3 382.384 0.606 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnco1)C2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571195030 952972157 /nfs/dbraw/zinc/97/21/57/952972157.db2.gz WPHREXNUURRZLD-DLOVCJGASA-N -1 3 382.384 0.606 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)on1 ZINC001571195019 952972372 /nfs/dbraw/zinc/97/23/72/952972372.db2.gz WHVOMUBWOXMBOL-ZWNOBZJWSA-N -1 3 382.384 0.478 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)on1 ZINC001571195019 952972377 /nfs/dbraw/zinc/97/23/77/952972377.db2.gz WHVOMUBWOXMBOL-ZWNOBZJWSA-N -1 3 382.384 0.478 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ncoc2C2CC2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571195075 952973268 /nfs/dbraw/zinc/97/32/68/952973268.db2.gz XRMWWJXPIGHVFI-NSHDSACASA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ncoc2C2CC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571195075 952973275 /nfs/dbraw/zinc/97/32/75/952973275.db2.gz XRMWWJXPIGHVFI-NSHDSACASA-N -1 3 382.384 0.705 20 0 GCADHM C[C@@]1(NC(=O)c2ccc(C(N)=O)o2)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571195117 952973428 /nfs/dbraw/zinc/97/34/28/952973428.db2.gz ZJBAKORDWNZQNE-QGZVFWFLSA-N -1 3 382.384 0.352 20 0 GCADHM C[C@@]1(NC(=O)c2ccc(C(N)=O)o2)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571195117 952973434 /nfs/dbraw/zinc/97/34/34/952973434.db2.gz ZJBAKORDWNZQNE-QGZVFWFLSA-N -1 3 382.384 0.352 20 0 GCADHM C[C@]1(NC(=O)c2ccc(C(N)=O)o2)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571195116 952973643 /nfs/dbraw/zinc/97/36/43/952973643.db2.gz ZJBAKORDWNZQNE-KRWDZBQOSA-N -1 3 382.384 0.352 20 0 GCADHM C[C@]1(NC(=O)c2ccc(C(N)=O)o2)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571195116 952973648 /nfs/dbraw/zinc/97/36/48/952973648.db2.gz ZJBAKORDWNZQNE-KRWDZBQOSA-N -1 3 382.384 0.352 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571195096 952974234 /nfs/dbraw/zinc/97/42/34/952974234.db2.gz YISVZKKDYJWEGY-NSHDSACASA-N -1 3 382.384 0.330 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571195096 952974240 /nfs/dbraw/zinc/97/42/40/952974240.db2.gz YISVZKKDYJWEGY-NSHDSACASA-N -1 3 382.384 0.330 20 0 GCADHM Cn1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001571196055 952980682 /nfs/dbraw/zinc/98/06/82/952980682.db2.gz HARHLMDSVFIECY-KBPBESRZSA-N -1 3 382.403 0.838 20 0 GCADHM CCn1cccc1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571198573 952992030 /nfs/dbraw/zinc/99/20/30/952992030.db2.gz CZPUILDBLGHABQ-AULYBMBSSA-N -1 3 382.428 0.955 20 0 GCADHM CCn1cccc1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571198573 952992035 /nfs/dbraw/zinc/99/20/35/952992035.db2.gz CZPUILDBLGHABQ-AULYBMBSSA-N -1 3 382.428 0.955 20 0 GCADHM COc1nn(C)cc1C(=O)NC[C@@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001571198763 952993575 /nfs/dbraw/zinc/99/35/75/952993575.db2.gz FUXJLJJLLWXECX-AWEZNQCLSA-N -1 3 382.428 0.613 20 0 GCADHM COc1ccc(CN2CC(CNC(=O)c3n[nH]cc3C)C2)cc1-c1nnn[n-]1 ZINC001571198793 952993880 /nfs/dbraw/zinc/99/38/80/952993880.db2.gz GOYGZYSOSWWYTA-UHFFFAOYSA-N -1 3 382.428 0.769 20 0 GCADHM COc1ccnc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571198938 952995475 /nfs/dbraw/zinc/99/54/75/952995475.db2.gz INCYPLUZHMLDGP-LLVKDONJSA-N -1 3 382.428 0.849 20 0 GCADHM COc1ccnc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571198938 952995478 /nfs/dbraw/zinc/99/54/78/952995478.db2.gz INCYPLUZHMLDGP-LLVKDONJSA-N -1 3 382.428 0.849 20 0 GCADHM CNC(=O)CN1CCCN(C(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)CC1 ZINC001571199185 952997988 /nfs/dbraw/zinc/99/79/88/952997988.db2.gz MVGFVKLPFXCKLS-UHFFFAOYSA-N -1 3 382.428 0.242 20 0 GCADHM CNC(=O)CN1CCCN(C(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)CC1 ZINC001571199185 952997993 /nfs/dbraw/zinc/99/79/93/952997993.db2.gz MVGFVKLPFXCKLS-UHFFFAOYSA-N -1 3 382.428 0.242 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC(N(C)C(=O)c2n[nH]cc2C)C1 ZINC001571199408 952999642 /nfs/dbraw/zinc/99/96/42/952999642.db2.gz PWEUKZZUNALXHW-UHFFFAOYSA-N -1 3 382.428 0.863 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)ccn1C ZINC001571199660 953003268 /nfs/dbraw/zinc/00/32/68/953003268.db2.gz XYYOYNZCCXPFEK-RISCZKNCSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)ccn1C ZINC001571199660 953003271 /nfs/dbraw/zinc/00/32/71/953003271.db2.gz XYYOYNZCCXPFEK-RISCZKNCSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)c(C)[nH]1 ZINC001571200471 953008817 /nfs/dbraw/zinc/00/88/17/953008817.db2.gz CIUQFSXWCNSQCF-HUUCEWRRSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c(C)[nH]1 ZINC001571200471 953008820 /nfs/dbraw/zinc/00/88/20/953008820.db2.gz CIUQFSXWCNSQCF-HUUCEWRRSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)[nH]n1 ZINC001571200828 953013268 /nfs/dbraw/zinc/01/32/68/953013268.db2.gz GQLNPEZKCUDNNU-OAHLLOKOSA-N -1 3 382.428 0.529 20 0 GCADHM O=S(=O)(Cc1csc(-c2nnn[n-]2)c1)NCc1noc2c1COCC2 ZINC001571201443 953017926 /nfs/dbraw/zinc/01/79/26/953017926.db2.gz PZCQWHPAPBQVNH-UHFFFAOYSA-N -1 3 382.427 0.609 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001571201521 953018327 /nfs/dbraw/zinc/01/83/27/953018327.db2.gz QZJQLMKKOXZVOR-JTQLQIEISA-N -1 3 382.421 0.088 20 0 GCADHM C[C@@H](C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001571201521 953018328 /nfs/dbraw/zinc/01/83/28/953018328.db2.gz QZJQLMKKOXZVOR-JTQLQIEISA-N -1 3 382.421 0.088 20 0 GCADHM CC(C)c1[nH]ccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571201541 953018595 /nfs/dbraw/zinc/01/85/95/953018595.db2.gz RCCMRORBUZYFCM-KGLIPLIRSA-N -1 3 382.428 0.693 20 0 GCADHM CC(C)c1[nH]ccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571201541 953018601 /nfs/dbraw/zinc/01/86/01/953018601.db2.gz RCCMRORBUZYFCM-KGLIPLIRSA-N -1 3 382.428 0.693 20 0 GCADHM CCC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001571201926 953020976 /nfs/dbraw/zinc/02/09/76/953020976.db2.gz TWHFHKPUDLSSSB-UHFFFAOYSA-N -1 3 382.421 0.685 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001571202136 953023242 /nfs/dbraw/zinc/02/32/42/953023242.db2.gz RDSLPIJVAJFLMT-LSDHHAIUSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001571202136 953023246 /nfs/dbraw/zinc/02/32/46/953023246.db2.gz RDSLPIJVAJFLMT-LSDHHAIUSA-N -1 3 382.428 0.576 20 0 GCADHM c1cc(-c2nn[n-]n2)cc(C2(NCc3nnc4n3CCOC4)CCOCC2)c1 ZINC001571204624 953031760 /nfs/dbraw/zinc/03/17/60/953031760.db2.gz AQINJCMIXXBTOE-UHFFFAOYSA-N -1 3 382.428 0.784 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001571204830 953032234 /nfs/dbraw/zinc/03/22/34/953032234.db2.gz CEXAISOKTNVHBL-QWHCGFSZSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001571204830 953032237 /nfs/dbraw/zinc/03/22/37/953032237.db2.gz CEXAISOKTNVHBL-QWHCGFSZSA-N -1 3 382.432 0.592 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@H](N(C)c3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001571205169 953036039 /nfs/dbraw/zinc/03/60/39/953036039.db2.gz GUVNGZMIMAVAIG-LBPRGKRZSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@H](N(C)c3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001571205169 953036044 /nfs/dbraw/zinc/03/60/44/953036044.db2.gz GUVNGZMIMAVAIG-LBPRGKRZSA-N -1 3 382.432 0.614 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)c2cnn(C)c2N)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571205213 953036936 /nfs/dbraw/zinc/03/69/36/953036936.db2.gz HOUKMGHWSLKKGB-ZYHUDNBSSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)c2cnn(C)c2N)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571205213 953036940 /nfs/dbraw/zinc/03/69/40/953036940.db2.gz HOUKMGHWSLKKGB-ZYHUDNBSSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571205691 953040835 /nfs/dbraw/zinc/04/08/35/953040835.db2.gz MZARLQGXJDKKJY-IAQYHMDHSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571205691 953040839 /nfs/dbraw/zinc/04/08/39/953040839.db2.gz MZARLQGXJDKKJY-IAQYHMDHSA-N -1 3 382.432 0.282 20 0 GCADHM CCCn1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)nn1 ZINC001571205695 953041091 /nfs/dbraw/zinc/04/10/91/953041091.db2.gz MZQHAOMSQQBBTE-HAQNSBGRSA-N -1 3 382.432 0.945 20 0 GCADHM CCCn1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)nn1 ZINC001571205695 953041095 /nfs/dbraw/zinc/04/10/95/953041095.db2.gz MZQHAOMSQQBBTE-HAQNSBGRSA-N -1 3 382.432 0.945 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@H](C)C2)n1 ZINC001571205828 953042761 /nfs/dbraw/zinc/04/27/61/953042761.db2.gz BOQLNJVVISDHMQ-VXGBXAGGSA-N -1 3 382.432 0.722 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@H](C)C2)n1 ZINC001571205828 953042764 /nfs/dbraw/zinc/04/27/64/953042764.db2.gz BOQLNJVVISDHMQ-VXGBXAGGSA-N -1 3 382.432 0.722 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@@H](C)C2)nnn1C ZINC001571205761 953042918 /nfs/dbraw/zinc/04/29/18/953042918.db2.gz AMPWPDCXPXBMEH-GXFFZTMASA-N -1 3 382.432 0.661 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@@H](C)C2)nnn1C ZINC001571205761 953042921 /nfs/dbraw/zinc/04/29/21/953042921.db2.gz AMPWPDCXPXBMEH-GXFFZTMASA-N -1 3 382.432 0.661 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)Cc2cncn2C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571205891 953043339 /nfs/dbraw/zinc/04/33/39/953043339.db2.gz NMZZLKUWTSZXTD-RYUDHWBXSA-N -1 3 382.432 0.106 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571205846 953043809 /nfs/dbraw/zinc/04/38/09/953043809.db2.gz CBSRQCXJJHIIJG-NEPJUHHUSA-N -1 3 382.432 0.884 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571205846 953043812 /nfs/dbraw/zinc/04/38/12/953043812.db2.gz CBSRQCXJJHIIJG-NEPJUHHUSA-N -1 3 382.432 0.884 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571205876 953044037 /nfs/dbraw/zinc/04/40/37/953044037.db2.gz CSNCLLUOIMFHKL-RYUDHWBXSA-N -1 3 382.432 0.628 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571205876 953044039 /nfs/dbraw/zinc/04/40/39/953044039.db2.gz CSNCLLUOIMFHKL-RYUDHWBXSA-N -1 3 382.432 0.628 20 0 GCADHM C[C@H]1C[C@H](NC(=O)Cc2cncn2C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571205890 953044098 /nfs/dbraw/zinc/04/40/98/953044098.db2.gz NMZZLKUWTSZXTD-NWDGAFQWSA-N -1 3 382.432 0.106 20 0 GCADHM C[C@@]1(CNc2ncccc2-c2nnn[n-]2)CCN(C(=O)CCn2cncn2)C1 ZINC001571205961 953045248 /nfs/dbraw/zinc/04/52/48/953045248.db2.gz PAILBVBAUUZRQV-KRWDZBQOSA-N -1 3 382.432 0.594 20 0 GCADHM C[C@@]1(CNc2ncccc2-c2nn[n-]n2)CCN(C(=O)CCn2cncn2)C1 ZINC001571205961 953045252 /nfs/dbraw/zinc/04/52/52/953045252.db2.gz PAILBVBAUUZRQV-KRWDZBQOSA-N -1 3 382.432 0.594 20 0 GCADHM C[C@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571205988 953045370 /nfs/dbraw/zinc/04/53/70/953045370.db2.gz QEPCWDOWESCWRP-QWHCGFSZSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001571206059 953046472 /nfs/dbraw/zinc/04/64/72/953046472.db2.gz RHQMQJUJPPYFRR-STQMWFEESA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001571206059 953046477 /nfs/dbraw/zinc/04/64/77/953046477.db2.gz RHQMQJUJPPYFRR-STQMWFEESA-N -1 3 382.432 0.907 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571206147 953047059 /nfs/dbraw/zinc/04/70/59/953047059.db2.gz DPWLNOWXPXFAQP-VXGBXAGGSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571206147 953047064 /nfs/dbraw/zinc/04/70/64/953047064.db2.gz DPWLNOWXPXFAQP-VXGBXAGGSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1nc(C)c(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)n1 ZINC001571206109 953047508 /nfs/dbraw/zinc/04/75/08/953047508.db2.gz DGXFSHNULGVKEW-GFCCVEGCSA-N -1 3 382.432 0.898 20 0 GCADHM CCn1nc(C)c(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)n1 ZINC001571206109 953047513 /nfs/dbraw/zinc/04/75/13/953047513.db2.gz DGXFSHNULGVKEW-GFCCVEGCSA-N -1 3 382.432 0.898 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)Cn2cncn2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571206128 953047538 /nfs/dbraw/zinc/04/75/38/953047538.db2.gz DLVXGFNDAOHGND-ZDUSSCGKSA-N -1 3 382.432 0.228 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)Cn2cncn2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571206128 953047539 /nfs/dbraw/zinc/04/75/39/953047539.db2.gz DLVXGFNDAOHGND-ZDUSSCGKSA-N -1 3 382.432 0.228 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)CC[C@H]1NC(=O)Cc1c[nH]cn1 ZINC001571206238 953048894 /nfs/dbraw/zinc/04/88/94/953048894.db2.gz SNKMOVZZTFDPBL-CYBMUJFWSA-N -1 3 382.432 0.344 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)CC[C@H]1NC(=O)Cc1c[nH]cn1 ZINC001571206238 953048898 /nfs/dbraw/zinc/04/88/98/953048898.db2.gz SNKMOVZZTFDPBL-CYBMUJFWSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206329 953050220 /nfs/dbraw/zinc/05/02/20/953050220.db2.gz TYQBGYGOIUDZDO-RYUDHWBXSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571206364 953050367 /nfs/dbraw/zinc/05/03/67/953050367.db2.gz UIRGYQZUCRPDNB-NEPJUHHUSA-N -1 3 382.432 0.139 20 0 GCADHM Cn1cc(CNC(=O)N2CCC[C@H]2CO)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001571206455 953050847 /nfs/dbraw/zinc/05/08/47/953050847.db2.gz PUFRQKAIYAIXHZ-HNNXBMFYSA-N -1 3 382.428 0.934 20 0 GCADHM Cn1cc(CNC(=O)N2CCC[C@H]2CO)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571206455 953050849 /nfs/dbraw/zinc/05/08/49/953050849.db2.gz PUFRQKAIYAIXHZ-HNNXBMFYSA-N -1 3 382.428 0.934 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571206402 953050951 /nfs/dbraw/zinc/05/09/51/953050951.db2.gz GKWCGAVTBSTXNS-ZYHUDNBSSA-N -1 3 382.432 0.437 20 0 GCADHM CC1(C)CN(C(=O)CCc2c[nH]cn2)C[C@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001571206711 953053745 /nfs/dbraw/zinc/05/37/45/953053745.db2.gz WRIPECSGAWODLN-GFCCVEGCSA-N -1 3 382.432 0.083 20 0 GCADHM CC1(C)CN(C(=O)CCc2c[nH]cn2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571206711 953053748 /nfs/dbraw/zinc/05/37/48/953053748.db2.gz WRIPECSGAWODLN-GFCCVEGCSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001571206656 953054118 /nfs/dbraw/zinc/05/41/18/953054118.db2.gz VWDSSDQIZZWOPQ-NWDGAFQWSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001571206656 953054122 /nfs/dbraw/zinc/05/41/22/953054122.db2.gz VWDSSDQIZZWOPQ-NWDGAFQWSA-N -1 3 382.432 0.743 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)n1 ZINC001571206731 953054634 /nfs/dbraw/zinc/05/46/34/953054634.db2.gz JUSQYYYEGXYHAE-DGCLKSJQSA-N -1 3 382.432 0.517 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)n1 ZINC001571206731 953054638 /nfs/dbraw/zinc/05/46/38/953054638.db2.gz JUSQYYYEGXYHAE-DGCLKSJQSA-N -1 3 382.432 0.517 20 0 GCADHM CCn1nccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001571206784 953054688 /nfs/dbraw/zinc/05/46/88/953054688.db2.gz KRJGMLUHFVRRHW-NWDGAFQWSA-N -1 3 382.432 0.978 20 0 GCADHM CCn1nccc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@@H]1C ZINC001571206784 953054691 /nfs/dbraw/zinc/05/46/91/953054691.db2.gz KRJGMLUHFVRRHW-NWDGAFQWSA-N -1 3 382.432 0.978 20 0 GCADHM CCn1cc(C(=O)NC[C@@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]2C)cn1 ZINC001571206790 953054831 /nfs/dbraw/zinc/05/48/31/953054831.db2.gz KRRIZPRFEYUSOM-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM CCn1cc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C)cn1 ZINC001571206790 953054833 /nfs/dbraw/zinc/05/48/33/953054833.db2.gz KRRIZPRFEYUSOM-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM CCn1cc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nnn[n-]2)cn1 ZINC001571206728 953054864 /nfs/dbraw/zinc/05/48/64/953054864.db2.gz WUGNHVHEMPRVQD-ZDUSSCGKSA-N -1 3 382.432 0.980 20 0 GCADHM CCn1cc(C(=O)N2CCCC[C@H]2CNc2nccnc2-c2nn[n-]n2)cn1 ZINC001571206728 953054868 /nfs/dbraw/zinc/05/48/68/953054868.db2.gz WUGNHVHEMPRVQD-ZDUSSCGKSA-N -1 3 382.432 0.980 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)n1 ZINC001571206729 953055340 /nfs/dbraw/zinc/05/53/40/953055340.db2.gz JUSQYYYEGXYHAE-AAEUAGOBSA-N -1 3 382.432 0.517 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)n1 ZINC001571206729 953055345 /nfs/dbraw/zinc/05/53/45/953055345.db2.gz JUSQYYYEGXYHAE-AAEUAGOBSA-N -1 3 382.432 0.517 20 0 GCADHM Cn1cccc1C(=O)N[C@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571206903 953057433 /nfs/dbraw/zinc/05/74/33/953057433.db2.gz SQRNZJCYSVHXGB-AAEUAGOBSA-N -1 3 382.428 0.862 20 0 GCADHM Cn1cccc1C(=O)N[C@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571206903 953057436 /nfs/dbraw/zinc/05/74/36/953057436.db2.gz SQRNZJCYSVHXGB-AAEUAGOBSA-N -1 3 382.428 0.862 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC(=O)N2)ccc1-c1nnn[n-]1 ZINC001571206873 953057614 /nfs/dbraw/zinc/05/76/14/953057614.db2.gz SGIHGRNLXOFLLZ-SGMGOOAPSA-N -1 3 382.428 0.028 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC(=O)N2)ccc1-c1nn[n-]n1 ZINC001571206873 953057617 /nfs/dbraw/zinc/05/76/17/953057617.db2.gz SGIHGRNLXOFLLZ-SGMGOOAPSA-N -1 3 382.428 0.028 20 0 GCADHM Cn1ccc(C(=O)N2CCC(O)(CNc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571206967 953057828 /nfs/dbraw/zinc/05/78/28/953057828.db2.gz VGMMIBUJFNSCNE-UHFFFAOYSA-N -1 3 382.428 0.679 20 0 GCADHM Cn1ccc(C(=O)N2CCC(O)(CNc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571206967 953057831 /nfs/dbraw/zinc/05/78/31/953057831.db2.gz VGMMIBUJFNSCNE-UHFFFAOYSA-N -1 3 382.428 0.679 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1)c1ccn(C)n1 ZINC001571206984 953057996 /nfs/dbraw/zinc/05/79/96/953057996.db2.gz YWKKZNJJCHMRNK-LBPRGKRZSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1)c1ccn(C)n1 ZINC001571206984 953058000 /nfs/dbraw/zinc/05/80/00/953058000.db2.gz YWKKZNJJCHMRNK-LBPRGKRZSA-N -1 3 382.432 0.588 20 0 GCADHM CCn1nncc1C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571207103 953058842 /nfs/dbraw/zinc/05/88/42/953058842.db2.gz NBJLUXOMKFTOGS-DGCLKSJQSA-N -1 3 382.432 0.693 20 0 GCADHM CCn1nncc1C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571207103 953058848 /nfs/dbraw/zinc/05/88/48/953058848.db2.gz NBJLUXOMKFTOGS-DGCLKSJQSA-N -1 3 382.432 0.693 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571207037 953059468 /nfs/dbraw/zinc/05/94/68/953059468.db2.gz LSVMSFFEOPXMQX-GFCCVEGCSA-N -1 3 382.432 0.324 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571207037 953059470 /nfs/dbraw/zinc/05/94/70/953059470.db2.gz LSVMSFFEOPXMQX-GFCCVEGCSA-N -1 3 382.432 0.324 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ncccc1-c1nnn[n-]1)CC2)[C@@H]1CCC(=O)N1 ZINC001571207182 953059759 /nfs/dbraw/zinc/05/97/59/953059759.db2.gz WTKQMMYCDYWZLX-QWHCGFSZSA-N -1 3 382.428 0.015 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ncccc1-c1nn[n-]n1)CC2)[C@@H]1CCC(=O)N1 ZINC001571207182 953059761 /nfs/dbraw/zinc/05/97/61/953059761.db2.gz WTKQMMYCDYWZLX-QWHCGFSZSA-N -1 3 382.428 0.015 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2CN(Cc3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC001571207168 953060146 /nfs/dbraw/zinc/06/01/46/953060146.db2.gz WOUDBUOUYLQUET-CQSZACIVSA-N -1 3 382.428 0.231 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2CN(Cc3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC001571207168 953060149 /nfs/dbraw/zinc/06/01/49/953060149.db2.gz WOUDBUOUYLQUET-CQSZACIVSA-N -1 3 382.428 0.231 20 0 GCADHM Cc1c(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)nnn1C ZINC001571207252 953061212 /nfs/dbraw/zinc/06/12/12/953061212.db2.gz PAVXTZHSHRJQLO-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1c(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)nnn1C ZINC001571207252 953061215 /nfs/dbraw/zinc/06/12/15/953061215.db2.gz PAVXTZHSHRJQLO-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnc[nH]1 ZINC001571207400 953062590 /nfs/dbraw/zinc/06/25/90/953062590.db2.gz ZWSXRQKXAZBXEX-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnc[nH]1 ZINC001571207400 953062597 /nfs/dbraw/zinc/06/25/97/953062597.db2.gz ZWSXRQKXAZBXEX-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM Cc1c(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)nnn1C ZINC001571207486 953063243 /nfs/dbraw/zinc/06/32/43/953063243.db2.gz UCSKERIGFLMMKB-PWSUYJOCSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1c(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)nnn1C ZINC001571207486 953063244 /nfs/dbraw/zinc/06/32/44/953063244.db2.gz UCSKERIGFLMMKB-PWSUYJOCSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCN(C(=O)Cn3ccnc3)C2)n1 ZINC001571207451 953063393 /nfs/dbraw/zinc/06/33/93/953063393.db2.gz RURAMUVBHUCDLU-CYBMUJFWSA-N -1 3 382.432 0.512 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@@H](C)C2)n1 ZINC001571207442 953063875 /nfs/dbraw/zinc/06/38/75/953063875.db2.gz RPPWVWPRFBDNGA-WCQYABFASA-N -1 3 382.432 0.836 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@@H](C)C2)n1 ZINC001571207442 953063878 /nfs/dbraw/zinc/06/38/78/953063878.db2.gz RPPWVWPRFBDNGA-WCQYABFASA-N -1 3 382.432 0.836 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nnn[n-]3)n2)[C@@H]1C ZINC001571207488 953063993 /nfs/dbraw/zinc/06/39/93/953063993.db2.gz UEVWDCCTMWDIKU-YPMHNXCESA-N -1 3 382.432 0.254 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[n-]n3)n2)[C@@H]1C ZINC001571207488 953063995 /nfs/dbraw/zinc/06/39/95/953063995.db2.gz UEVWDCCTMWDIKU-YPMHNXCESA-N -1 3 382.432 0.254 20 0 GCADHM CCn1ncc(C(=O)N2CCC(N(C)c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571207515 953064139 /nfs/dbraw/zinc/06/41/39/953064139.db2.gz VHVKKKVCKROOOW-UHFFFAOYSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1ncc(C(=O)N2CCC(N(C)c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571207515 953064144 /nfs/dbraw/zinc/06/41/44/953064144.db2.gz VHVKKKVCKROOOW-UHFFFAOYSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1nncc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571207531 953064568 /nfs/dbraw/zinc/06/45/68/953064568.db2.gz VUHILVPJWVUAFX-BETUJISGSA-N -1 3 382.432 0.295 20 0 GCADHM CCn1nncc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571207531 953064569 /nfs/dbraw/zinc/06/45/69/953064569.db2.gz VUHILVPJWVUAFX-BETUJISGSA-N -1 3 382.432 0.295 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571207669 953065304 /nfs/dbraw/zinc/06/53/04/953065304.db2.gz ZMJQEGIXUAKVIX-GFCCVEGCSA-N -1 3 382.432 0.532 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571207669 953065307 /nfs/dbraw/zinc/06/53/07/953065307.db2.gz ZMJQEGIXUAKVIX-GFCCVEGCSA-N -1 3 382.432 0.532 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001571207631 953065331 /nfs/dbraw/zinc/06/53/31/953065331.db2.gz YJKFOZUBUGQCOF-PWSUYJOCSA-N -1 3 382.432 0.722 20 0 GCADHM CN(Cc1nnc2n1CCCCC2)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571207622 953065347 /nfs/dbraw/zinc/06/53/47/953065347.db2.gz YECOCQNGHXKJPA-UHFFFAOYSA-N -1 3 382.432 0.650 20 0 GCADHM CN(Cc1nnc2n1CCCCC2)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571207622 953065350 /nfs/dbraw/zinc/06/53/50/953065350.db2.gz YECOCQNGHXKJPA-UHFFFAOYSA-N -1 3 382.432 0.650 20 0 GCADHM CCn1nncc1C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571207619 953065365 /nfs/dbraw/zinc/06/53/65/953065365.db2.gz YCJBGFNQXGUBNC-CYBMUJFWSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1nncc1C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571207619 953065366 /nfs/dbraw/zinc/06/53/66/953065366.db2.gz YCJBGFNQXGUBNC-CYBMUJFWSA-N -1 3 382.432 0.614 20 0 GCADHM Cn1ncc(CCC(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571209679 953066268 /nfs/dbraw/zinc/06/62/68/953066268.db2.gz AUMVYEHBFJCVRW-CQSZACIVSA-N -1 3 382.432 0.426 20 0 GCADHM Cn1ncc(CCC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571209679 953066271 /nfs/dbraw/zinc/06/62/71/953066271.db2.gz AUMVYEHBFJCVRW-CQSZACIVSA-N -1 3 382.432 0.426 20 0 GCADHM O=C(CCn1ccnn1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571210004 953069311 /nfs/dbraw/zinc/06/93/11/953069311.db2.gz LHZKGKDVEQBUGN-CQSZACIVSA-N -1 3 382.432 0.737 20 0 GCADHM O=C(CCn1ccnn1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571210004 953069314 /nfs/dbraw/zinc/06/93/14/953069314.db2.gz LHZKGKDVEQBUGN-CQSZACIVSA-N -1 3 382.432 0.737 20 0 GCADHM O=C(Cn1ccnc1)N[C@@H]1CCCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571210216 953071714 /nfs/dbraw/zinc/07/17/14/953071714.db2.gz ONGRSDDGPXWAJX-CHWSQXEVSA-N -1 3 382.432 0.640 20 0 GCADHM CCOC(=O)[C@H](C[C@@H](C)CC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571210854 953075317 /nfs/dbraw/zinc/07/53/17/953075317.db2.gz YMKDNHFBJXWLEV-JQWIXIFHSA-N -1 3 382.446 0.908 20 0 GCADHM CCOC(=O)[C@H](C[C@@H](C)CC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571210854 953075322 /nfs/dbraw/zinc/07/53/22/953075322.db2.gz YMKDNHFBJXWLEV-JQWIXIFHSA-N -1 3 382.446 0.908 20 0 GCADHM O=C(CCn1ccnc1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571210872 953075603 /nfs/dbraw/zinc/07/56/03/953075603.db2.gz YXKJDRYPUGEXFE-CYBMUJFWSA-N -1 3 382.432 0.737 20 0 GCADHM O=C(CCn1ccnc1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571210872 953075608 /nfs/dbraw/zinc/07/56/08/953075608.db2.gz YXKJDRYPUGEXFE-CYBMUJFWSA-N -1 3 382.432 0.737 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2(C)C)[nH]1 ZINC001571211442 953076531 /nfs/dbraw/zinc/07/65/31/953076531.db2.gz ASNHDJTWLHYQBD-ZDUSSCGKSA-N -1 3 382.432 0.723 20 0 GCADHM Cn1cc(CCC(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571211445 953076562 /nfs/dbraw/zinc/07/65/62/953076562.db2.gz ATQRCUVVNQDHGQ-ZDUSSCGKSA-N -1 3 382.432 0.426 20 0 GCADHM Cn1cc(CCC(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571211445 953076565 /nfs/dbraw/zinc/07/65/65/953076565.db2.gz ATQRCUVVNQDHGQ-ZDUSSCGKSA-N -1 3 382.432 0.426 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)Cn3cncn3)C[C@H]2C)ccc1-c1nnn[n-]1 ZINC001571211471 953077839 /nfs/dbraw/zinc/07/78/39/953077839.db2.gz BGRWOAVBCQULHN-YPMHNXCESA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)Cn3cncn3)C[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571211471 953077846 /nfs/dbraw/zinc/07/78/46/953077846.db2.gz BGRWOAVBCQULHN-YPMHNXCESA-N -1 3 382.432 0.335 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571212373 953087788 /nfs/dbraw/zinc/08/77/88/953087788.db2.gz MTYHFYNQMTZPPL-YPMHNXCESA-N -1 3 382.432 0.791 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571212373 953087790 /nfs/dbraw/zinc/08/77/90/953087790.db2.gz MTYHFYNQMTZPPL-YPMHNXCESA-N -1 3 382.432 0.791 20 0 GCADHM Cn1cc(C(=O)N2CCC(CCNc3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC001571212396 953088524 /nfs/dbraw/zinc/08/85/24/953088524.db2.gz NOGHVHIKFYSAAL-UHFFFAOYSA-N -1 3 382.432 0.745 20 0 GCADHM Cn1cc(C(=O)N2CCC(CCNc3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC001571212396 953088527 /nfs/dbraw/zinc/08/85/27/953088527.db2.gz NOGHVHIKFYSAAL-UHFFFAOYSA-N -1 3 382.432 0.745 20 0 GCADHM Cc1c(C(=O)N2CCCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)nnn1C ZINC001571212703 953089395 /nfs/dbraw/zinc/08/93/95/953089395.db2.gz OIPSFJYNPRYZGI-UHFFFAOYSA-N -1 3 382.432 0.360 20 0 GCADHM Cc1c(C(=O)N2CCCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)nnn1C ZINC001571212703 953089401 /nfs/dbraw/zinc/08/94/01/953089401.db2.gz OIPSFJYNPRYZGI-UHFFFAOYSA-N -1 3 382.432 0.360 20 0 GCADHM Cn1ncc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C(C)(C)C2)c1N ZINC001571212722 953090694 /nfs/dbraw/zinc/09/06/94/953090694.db2.gz ONGOLRQEAWUBHN-LBPRGKRZSA-N -1 3 382.432 0.540 20 0 GCADHM Cn1ncc(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C(C)(C)C2)c1N ZINC001571212722 953090700 /nfs/dbraw/zinc/09/07/00/953090700.db2.gz ONGOLRQEAWUBHN-LBPRGKRZSA-N -1 3 382.432 0.540 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)c1N ZINC001571213406 953094126 /nfs/dbraw/zinc/09/41/26/953094126.db2.gz RZFFNKBAKFVREI-ZWNOBZJWSA-N -1 3 382.432 0.588 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)c1N ZINC001571213406 953094129 /nfs/dbraw/zinc/09/41/29/953094129.db2.gz RZFFNKBAKFVREI-ZWNOBZJWSA-N -1 3 382.432 0.588 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CN(C(=O)c3ncn(C)n3)CC2(C)C)n1 ZINC001571213426 953094627 /nfs/dbraw/zinc/09/46/27/953094627.db2.gz SPAHGHKZIPBILK-LBPRGKRZSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CN(C(=O)c3ncn(C)n3)CC2(C)C)n1 ZINC001571213426 953094629 /nfs/dbraw/zinc/09/46/29/953094629.db2.gz SPAHGHKZIPBILK-LBPRGKRZSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CN(c2cncc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571213488 953095369 /nfs/dbraw/zinc/09/53/69/953095369.db2.gz UYRFVJGFOIXMHE-ZDUSSCGKSA-N -1 3 382.432 0.193 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CN(c2cncc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571213488 953095374 /nfs/dbraw/zinc/09/53/74/953095374.db2.gz UYRFVJGFOIXMHE-ZDUSSCGKSA-N -1 3 382.432 0.193 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)n1 ZINC001571213841 953097394 /nfs/dbraw/zinc/09/73/94/953097394.db2.gz XMSDKWCVEBPTCK-OLZOCXBDSA-N -1 3 382.432 0.826 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)n1 ZINC001571213841 953097397 /nfs/dbraw/zinc/09/73/97/953097397.db2.gz XMSDKWCVEBPTCK-OLZOCXBDSA-N -1 3 382.432 0.826 20 0 GCADHM Cc1nc(N(C)C2CCN(C(=O)c3ncn(C)n3)CC2)ccc1-c1nnn[n-]1 ZINC001571213810 953097538 /nfs/dbraw/zinc/09/75/38/953097538.db2.gz WGKBGELANGTOOO-UHFFFAOYSA-N -1 3 382.432 0.440 20 0 GCADHM Cc1nc(N(C)C2CCN(C(=O)c3ncn(C)n3)CC2)ccc1-c1nn[n-]n1 ZINC001571213810 953097543 /nfs/dbraw/zinc/09/75/43/953097543.db2.gz WGKBGELANGTOOO-UHFFFAOYSA-N -1 3 382.432 0.440 20 0 GCADHM CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001571216685 953103399 /nfs/dbraw/zinc/10/33/99/953103399.db2.gz BNPOCEZZYUXHMF-QWRGUYRKSA-N -1 3 383.391 0.721 20 0 GCADHM CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001571216685 953103403 /nfs/dbraw/zinc/10/34/03/953103403.db2.gz BNPOCEZZYUXHMF-QWRGUYRKSA-N -1 3 383.391 0.721 20 0 GCADHM CN(C)C(=O)[C@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001571216923 953105410 /nfs/dbraw/zinc/10/54/10/953105410.db2.gz COCKNAOEPZKXRA-QMMMGPOBSA-N -1 3 383.334 0.831 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2ncccn2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571217084 953105494 /nfs/dbraw/zinc/10/54/94/953105494.db2.gz GEQOXAQBCZQBSX-ZYHUDNBSSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2ncccn2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571217084 953105498 /nfs/dbraw/zinc/10/54/98/953105498.db2.gz GEQOXAQBCZQBSX-ZYHUDNBSSA-N -1 3 383.391 0.978 20 0 GCADHM Cn1cccc(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)c1=O ZINC001571217079 953105725 /nfs/dbraw/zinc/10/57/25/953105725.db2.gz GCGIIKKBKWHXRJ-LLVKDONJSA-N -1 3 383.387 0.713 20 0 GCADHM Cn1cccc(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)c1=O ZINC001571217079 953105726 /nfs/dbraw/zinc/10/57/26/953105726.db2.gz GCGIIKKBKWHXRJ-LLVKDONJSA-N -1 3 383.387 0.713 20 0 GCADHM Cn1cccc(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)c1=O ZINC001571217080 953105749 /nfs/dbraw/zinc/10/57/49/953105749.db2.gz GCGIIKKBKWHXRJ-NSHDSACASA-N -1 3 383.387 0.713 20 0 GCADHM Cn1cccc(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)c1=O ZINC001571217080 953105752 /nfs/dbraw/zinc/10/57/52/953105752.db2.gz GCGIIKKBKWHXRJ-NSHDSACASA-N -1 3 383.387 0.713 20 0 GCADHM O=C(Cc1cccc(F)c1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571217102 953106517 /nfs/dbraw/zinc/10/65/17/953106517.db2.gz GQYNDPFXQOJMRF-CQSZACIVSA-N -1 3 383.387 0.907 20 0 GCADHM O=C(Cc1cccc(F)c1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571217102 953106519 /nfs/dbraw/zinc/10/65/19/953106519.db2.gz GQYNDPFXQOJMRF-CQSZACIVSA-N -1 3 383.387 0.907 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1O)c1ccncc1 ZINC001571217365 953108258 /nfs/dbraw/zinc/10/82/58/953108258.db2.gz JDDKRNMKSYQPGN-HZPDHXFCSA-N -1 3 383.387 0.376 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O)c1ccncc1 ZINC001571217365 953108262 /nfs/dbraw/zinc/10/82/62/953108262.db2.gz JDDKRNMKSYQPGN-HZPDHXFCSA-N -1 3 383.387 0.376 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)c(F)c1 ZINC001571217533 953109133 /nfs/dbraw/zinc/10/91/33/953109133.db2.gz NCSJXZRGBVWPPX-HZPDHXFCSA-N -1 3 383.387 0.689 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)c(F)c1 ZINC001571217533 953109136 /nfs/dbraw/zinc/10/91/36/953109136.db2.gz NCSJXZRGBVWPPX-HZPDHXFCSA-N -1 3 383.387 0.689 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001571218514 953116286 /nfs/dbraw/zinc/11/62/86/953116286.db2.gz ADHUZKKCWKWILU-GFCCVEGCSA-N -1 3 383.409 0.551 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001571218514 953116289 /nfs/dbraw/zinc/11/62/89/953116289.db2.gz ADHUZKKCWKWILU-GFCCVEGCSA-N -1 3 383.409 0.551 20 0 GCADHM COc1ccc(CN2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)cc1 ZINC001571218867 953120181 /nfs/dbraw/zinc/12/01/81/953120181.db2.gz FWKBYFHPUNBCSI-CVEARBPZSA-N -1 3 383.412 0.179 20 0 GCADHM COc1ccc(CN2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)cc1 ZINC001571218867 953120185 /nfs/dbraw/zinc/12/01/85/953120185.db2.gz FWKBYFHPUNBCSI-CVEARBPZSA-N -1 3 383.412 0.179 20 0 GCADHM COc1cccc([C@@H](O)CN2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571218957 953120803 /nfs/dbraw/zinc/12/08/03/953120803.db2.gz HYNSVHDKBCIVMF-INIZCTEOSA-N -1 3 383.412 0.351 20 0 GCADHM COc1cccc([C@@H](O)CN2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571218957 953120805 /nfs/dbraw/zinc/12/08/05/953120805.db2.gz HYNSVHDKBCIVMF-INIZCTEOSA-N -1 3 383.412 0.351 20 0 GCADHM Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001571219000 953121370 /nfs/dbraw/zinc/12/13/70/953121370.db2.gz JEAPWNQVAPRNRB-PHIMTYICSA-N -1 3 383.391 0.628 20 0 GCADHM Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cccc(F)c2-c2nn[n-]n2)n1 ZINC001571219000 953121373 /nfs/dbraw/zinc/12/13/73/953121373.db2.gz JEAPWNQVAPRNRB-PHIMTYICSA-N -1 3 383.391 0.628 20 0 GCADHM O=C(CC(F)(F)F)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571219353 953124771 /nfs/dbraw/zinc/12/47/71/953124771.db2.gz XTLYVTJLWGMUHS-UHFFFAOYSA-N -1 3 383.334 0.822 20 0 GCADHM O=C(CC(F)(F)F)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571219353 953124777 /nfs/dbraw/zinc/12/47/77/953124777.db2.gz XTLYVTJLWGMUHS-UHFFFAOYSA-N -1 3 383.334 0.822 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1NC(=O)Cc1ccoc1 ZINC001571220111 953128655 /nfs/dbraw/zinc/12/86/55/953128655.db2.gz XCGZADSXKJCYRD-CQSZACIVSA-N -1 3 383.412 0.997 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1NC(=O)Cc1ccoc1 ZINC001571220111 953128657 /nfs/dbraw/zinc/12/86/57/953128657.db2.gz XCGZADSXKJCYRD-CQSZACIVSA-N -1 3 383.412 0.997 20 0 GCADHM CN(C[C@H]1CCN(C(=O)c2cccnn2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571220270 953129199 /nfs/dbraw/zinc/12/91/99/953129199.db2.gz ZYDZJIWGYPOKTR-LLVKDONJSA-N -1 3 383.391 0.789 20 0 GCADHM CN(C[C@H]1CCN(C(=O)c2cccnn2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571220270 953129209 /nfs/dbraw/zinc/12/92/09/953129209.db2.gz ZYDZJIWGYPOKTR-LLVKDONJSA-N -1 3 383.391 0.789 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ccn(C)n1 ZINC001571222105 953130937 /nfs/dbraw/zinc/13/09/37/953130937.db2.gz CHJJHXSFXIUYNX-SMDDNHRTSA-N -1 3 383.416 0.351 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ccn(C)n1 ZINC001571222105 953130940 /nfs/dbraw/zinc/13/09/40/953130940.db2.gz CHJJHXSFXIUYNX-SMDDNHRTSA-N -1 3 383.416 0.351 20 0 GCADHM COc1cc(C)nc(N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1 ZINC001571222333 953133008 /nfs/dbraw/zinc/13/30/08/953133008.db2.gz DSDPBHAXHIIETI-NOZJJQNGSA-N -1 3 383.416 0.874 20 0 GCADHM COc1cc(C)nc(N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1 ZINC001571222333 953133010 /nfs/dbraw/zinc/13/30/10/953133010.db2.gz DSDPBHAXHIIETI-NOZJJQNGSA-N -1 3 383.416 0.874 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571222288 953133238 /nfs/dbraw/zinc/13/32/38/953133238.db2.gz CYRCLYPLKVCQGD-NSHDSACASA-N -1 3 383.416 0.651 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571222288 953133240 /nfs/dbraw/zinc/13/32/40/953133240.db2.gz CYRCLYPLKVCQGD-NSHDSACASA-N -1 3 383.416 0.651 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222375 953133827 /nfs/dbraw/zinc/13/38/27/953133827.db2.gz HHDUFJZOMHQKMW-CMPLNLGQSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222375 953133830 /nfs/dbraw/zinc/13/38/30/953133830.db2.gz HHDUFJZOMHQKMW-CMPLNLGQSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001571222406 953134289 /nfs/dbraw/zinc/13/42/89/953134289.db2.gz HXBDJUWNGZSBKN-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001571222406 953134290 /nfs/dbraw/zinc/13/42/90/953134290.db2.gz HXBDJUWNGZSBKN-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cn[nH]c1 ZINC001571222497 953134967 /nfs/dbraw/zinc/13/49/67/953134967.db2.gz GWEQDXBRIVIUCP-CYBMUJFWSA-N -1 3 383.416 0.685 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cn[nH]c1 ZINC001571222497 953134969 /nfs/dbraw/zinc/13/49/69/953134969.db2.gz GWEQDXBRIVIUCP-CYBMUJFWSA-N -1 3 383.416 0.685 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1OC ZINC001571222526 953135481 /nfs/dbraw/zinc/13/54/81/953135481.db2.gz IHPFJNGUVICRDR-ZIAGYGMSSA-N -1 3 383.416 0.181 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1OC ZINC001571222526 953135486 /nfs/dbraw/zinc/13/54/86/953135486.db2.gz IHPFJNGUVICRDR-ZIAGYGMSSA-N -1 3 383.416 0.181 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@H]1CC[C@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222517 953135602 /nfs/dbraw/zinc/13/56/02/953135602.db2.gz HIDXUYOMHWICFI-CABZTGNLSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@H]1CC[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222517 953135604 /nfs/dbraw/zinc/13/56/04/953135604.db2.gz HIDXUYOMHWICFI-CABZTGNLSA-N -1 3 383.416 0.649 20 0 GCADHM O=C(C1=COCCO1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571222554 953136052 /nfs/dbraw/zinc/13/60/52/953136052.db2.gz IXYLXUZYPRWKQA-CABCVRRESA-N -1 3 383.412 0.720 20 0 GCADHM O=C(C1=COCCO1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571222554 953136055 /nfs/dbraw/zinc/13/60/55/953136055.db2.gz IXYLXUZYPRWKQA-CABCVRRESA-N -1 3 383.412 0.720 20 0 GCADHM Cc1noc(C)c1C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571222589 953136415 /nfs/dbraw/zinc/13/64/15/953136415.db2.gz JSLDHTZTGBXHBN-CABCVRRESA-N -1 3 383.412 0.447 20 0 GCADHM O=C(c1ccco1)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571222637 953136773 /nfs/dbraw/zinc/13/67/73/953136773.db2.gz KHTZRPFDCGLOJV-AWEZNQCLSA-N -1 3 383.412 0.958 20 0 GCADHM O=C(c1ccco1)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571222637 953136776 /nfs/dbraw/zinc/13/67/76/953136776.db2.gz KHTZRPFDCGLOJV-AWEZNQCLSA-N -1 3 383.412 0.958 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n(C)n1 ZINC001571222615 953137019 /nfs/dbraw/zinc/13/70/19/953137019.db2.gz JYXYXUMUARIINU-NSHDSACASA-N -1 3 383.416 0.135 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n(C)n1 ZINC001571222615 953137022 /nfs/dbraw/zinc/13/70/22/953137022.db2.gz JYXYXUMUARIINU-NSHDSACASA-N -1 3 383.416 0.135 20 0 GCADHM CCn1ccnc1C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571222738 953137679 /nfs/dbraw/zinc/13/76/79/953137679.db2.gz KSERIPKKQLFCLW-UHFFFAOYSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1ccnc1C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571222738 953137683 /nfs/dbraw/zinc/13/76/83/953137683.db2.gz KSERIPKKQLFCLW-UHFFFAOYSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1Cc1nc(C2CC2)no1 ZINC001571222757 953138534 /nfs/dbraw/zinc/13/85/34/953138534.db2.gz LERGITCXEHNGDI-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1Cc1nc(C2CC2)no1 ZINC001571222757 953138537 /nfs/dbraw/zinc/13/85/37/953138537.db2.gz LERGITCXEHNGDI-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001571222774 953138613 /nfs/dbraw/zinc/13/86/13/953138613.db2.gz KZFDOFXMFBGQKO-NOZJJQNGSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001571222774 953138616 /nfs/dbraw/zinc/13/86/16/953138616.db2.gz KZFDOFXMFBGQKO-NOZJJQNGSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001571222776 953138976 /nfs/dbraw/zinc/13/89/76/953138976.db2.gz KZFDOFXMFBGQKO-RNCFNFMXSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001571222776 953138984 /nfs/dbraw/zinc/13/89/84/953138984.db2.gz KZFDOFXMFBGQKO-RNCFNFMXSA-N -1 3 383.416 0.513 20 0 GCADHM COCc1nc(C)cc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571223024 953140794 /nfs/dbraw/zinc/14/07/94/953140794.db2.gz PHBIAAHZYREOOA-LLVKDONJSA-N -1 3 383.416 0.448 20 0 GCADHM COCc1nc(C)cc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571223024 953140796 /nfs/dbraw/zinc/14/07/96/953140796.db2.gz PHBIAAHZYREOOA-LLVKDONJSA-N -1 3 383.416 0.448 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)[nH]n1 ZINC001571223132 953141228 /nfs/dbraw/zinc/14/12/28/953141228.db2.gz OAIZHTYTVUJQOH-JOYOIKCWSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)[nH]n1 ZINC001571223132 953141229 /nfs/dbraw/zinc/14/12/29/953141229.db2.gz OAIZHTYTVUJQOH-JOYOIKCWSA-N -1 3 383.416 0.513 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3cnnn3C)C2)cc1-c1nnn[n-]1 ZINC001571223096 953141344 /nfs/dbraw/zinc/14/13/44/953141344.db2.gz QIYCPKNGRCLVIK-GFCCVEGCSA-N -1 3 383.416 0.008 20 0 GCADHM COc1ccnc(N[C@H](C)[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571223080 953141656 /nfs/dbraw/zinc/14/16/56/953141656.db2.gz QCSHCSCLOJNRHO-GHMZBOCLSA-N -1 3 383.416 0.956 20 0 GCADHM COc1ccnc(N[C@H](C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571223080 953141659 /nfs/dbraw/zinc/14/16/59/953141659.db2.gz QCSHCSCLOJNRHO-GHMZBOCLSA-N -1 3 383.416 0.956 20 0 GCADHM C[C@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571223214 953142724 /nfs/dbraw/zinc/14/27/24/953142724.db2.gz PZHSQEYHCIPEQY-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223214 953142726 /nfs/dbraw/zinc/14/27/26/953142726.db2.gz PZHSQEYHCIPEQY-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM COc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)nn1C ZINC001571223274 953143078 /nfs/dbraw/zinc/14/30/78/953143078.db2.gz SDIIEIROXGPZGD-QMTHXVAHSA-N -1 3 383.416 0.576 20 0 GCADHM COc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)nn1C ZINC001571223274 953143081 /nfs/dbraw/zinc/14/30/81/953143081.db2.gz SDIIEIROXGPZGD-QMTHXVAHSA-N -1 3 383.416 0.576 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C)n1 ZINC001571223267 953143191 /nfs/dbraw/zinc/14/31/91/953143191.db2.gz SAJXVMUNULOOGR-GFCCVEGCSA-N -1 3 383.416 0.364 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C)n1 ZINC001571223267 953143193 /nfs/dbraw/zinc/14/31/93/953143193.db2.gz SAJXVMUNULOOGR-GFCCVEGCSA-N -1 3 383.416 0.364 20 0 GCADHM COc1ccc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001571223263 953143278 /nfs/dbraw/zinc/14/32/78/953143278.db2.gz RYCPNOLJBJUJKK-JTQLQIEISA-N -1 3 383.416 0.244 20 0 GCADHM COc1ccc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001571223263 953143281 /nfs/dbraw/zinc/14/32/81/953143281.db2.gz RYCPNOLJBJUJKK-JTQLQIEISA-N -1 3 383.416 0.244 20 0 GCADHM CCn1ccc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571223252 953143362 /nfs/dbraw/zinc/14/33/62/953143362.db2.gz RVACXYUPIJRKFH-UHFFFAOYSA-N -1 3 383.416 0.350 20 0 GCADHM CCn1ccc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571223252 953143366 /nfs/dbraw/zinc/14/33/66/953143366.db2.gz RVACXYUPIJRKFH-UHFFFAOYSA-N -1 3 383.416 0.350 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C)n1cccn1 ZINC001571223408 953144378 /nfs/dbraw/zinc/14/43/78/953144378.db2.gz QVKGZYRDLGSPHT-MDZLAQPJSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C)n1cccn1 ZINC001571223408 953144379 /nfs/dbraw/zinc/14/43/79/953144379.db2.gz QVKGZYRDLGSPHT-MDZLAQPJSA-N -1 3 383.416 0.372 20 0 GCADHM CCn1nccc1C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571223563 953145584 /nfs/dbraw/zinc/14/55/84/953145584.db2.gz VNYIXRNZOUWFBR-UHFFFAOYSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1nccc1C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571223563 953145586 /nfs/dbraw/zinc/14/55/86/953145586.db2.gz VNYIXRNZOUWFBR-UHFFFAOYSA-N -1 3 383.416 0.446 20 0 GCADHM COc1ccc(CN2CC[C@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001571223600 953146264 /nfs/dbraw/zinc/14/62/64/953146264.db2.gz WUBZECUEJIXNIV-ZDUSSCGKSA-N -1 3 383.416 0.340 20 0 GCADHM COc1ccc(CN2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001571223600 953146266 /nfs/dbraw/zinc/14/62/66/953146266.db2.gz WUBZECUEJIXNIV-ZDUSSCGKSA-N -1 3 383.416 0.340 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223799 953146971 /nfs/dbraw/zinc/14/69/71/953146971.db2.gz VRMVQJWNHJQVKR-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223799 953146973 /nfs/dbraw/zinc/14/69/73/953146973.db2.gz VRMVQJWNHJQVKR-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM CCc1n[nH]cc1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223782 953147159 /nfs/dbraw/zinc/14/71/59/953147159.db2.gz VITVWBXVSSHRJA-NSHDSACASA-N -1 3 383.416 0.467 20 0 GCADHM CCc1n[nH]cc1C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223782 953147161 /nfs/dbraw/zinc/14/71/61/953147161.db2.gz VITVWBXVSSHRJA-NSHDSACASA-N -1 3 383.416 0.467 20 0 GCADHM CN(C[C@H]1CCN1C(=O)CCc1ncc[nH]1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571223807 953147289 /nfs/dbraw/zinc/14/72/89/953147289.db2.gz XSLZCLNUEIERJZ-GFCCVEGCSA-N -1 3 383.416 0.224 20 0 GCADHM CN(C[C@H]1CCN1C(=O)CCc1ncc[nH]1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223807 953147290 /nfs/dbraw/zinc/14/72/90/953147290.db2.gz XSLZCLNUEIERJZ-GFCCVEGCSA-N -1 3 383.416 0.224 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)c(C)n3)C2)n1 ZINC001571223863 953147720 /nfs/dbraw/zinc/14/77/20/953147720.db2.gz YPGZSMMFRNKIEI-LBPRGKRZSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571223856 953147977 /nfs/dbraw/zinc/14/79/77/953147977.db2.gz YMZUIOUESDNNOS-ZYHUDNBSSA-N -1 3 383.416 0.786 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571223856 953147979 /nfs/dbraw/zinc/14/79/79/953147979.db2.gz YMZUIOUESDNNOS-ZYHUDNBSSA-N -1 3 383.416 0.786 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001571224060 953148416 /nfs/dbraw/zinc/14/84/16/953148416.db2.gz XPGWVCMCMJJKHD-MFKMUULPSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001571224060 953148417 /nfs/dbraw/zinc/14/84/17/953148417.db2.gz XPGWVCMCMJJKHD-MFKMUULPSA-N -1 3 383.416 0.351 20 0 GCADHM Cc1nonc1CC(=O)N(C)[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571224719 953150425 /nfs/dbraw/zinc/15/04/25/953150425.db2.gz DZGTUGXSSBXINS-GFCCVEGCSA-N -1 3 383.416 0.541 20 0 GCADHM Cc1nonc1CC(=O)N(C)[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571224719 953150427 /nfs/dbraw/zinc/15/04/27/953150427.db2.gz DZGTUGXSSBXINS-GFCCVEGCSA-N -1 3 383.416 0.541 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3cnon3)C(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001571224876 953151445 /nfs/dbraw/zinc/15/14/45/953151445.db2.gz FUNGEZUMBHNQRY-CYBMUJFWSA-N -1 3 383.416 0.988 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3cnon3)C(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001571224876 953151448 /nfs/dbraw/zinc/15/14/48/953151448.db2.gz FUNGEZUMBHNQRY-CYBMUJFWSA-N -1 3 383.416 0.988 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)[C@H](C)C2)o1 ZINC001571225228 953151892 /nfs/dbraw/zinc/15/18/92/953151892.db2.gz IRNDVOODBKCTPI-ZWNOBZJWSA-N -1 3 383.416 0.702 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)[C@H](C)C2)o1 ZINC001571225228 953151894 /nfs/dbraw/zinc/15/18/94/953151894.db2.gz IRNDVOODBKCTPI-ZWNOBZJWSA-N -1 3 383.416 0.702 20 0 GCADHM Cc1cnn(C)c1C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571225151 953152206 /nfs/dbraw/zinc/15/22/06/953152206.db2.gz HWOGHJHDTNRJRT-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cnn(C)c1C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571225151 953152207 /nfs/dbraw/zinc/15/22/07/953152207.db2.gz HWOGHJHDTNRJRT-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571224930 953152220 /nfs/dbraw/zinc/15/22/20/953152220.db2.gz GYXRGHUPADOIET-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571224930 953152221 /nfs/dbraw/zinc/15/22/21/953152221.db2.gz GYXRGHUPADOIET-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ccn(CC(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)n1 ZINC001571225307 953152897 /nfs/dbraw/zinc/15/28/97/953152897.db2.gz JKGLLRHPBKREOM-DGCLKSJQSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1ccn(CC(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)n1 ZINC001571225307 953152898 /nfs/dbraw/zinc/15/28/98/953152898.db2.gz JKGLLRHPBKREOM-DGCLKSJQSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1nnc(CN2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)CC[C@H]32)o1 ZINC001571225251 953153135 /nfs/dbraw/zinc/15/31/35/953153135.db2.gz IWMKIHBSDNFNJA-BXUZGUMPSA-N -1 3 383.416 0.623 20 0 GCADHM Cc1n[nH]c(C(=O)NC[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1[O-] ZINC001571225880 953154519 /nfs/dbraw/zinc/15/45/19/953154519.db2.gz NIUWZMPXQXFUCZ-NSHDSACASA-N -1 3 383.416 0.564 20 0 GCADHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCOC[C@H]1Nc1ccnc(C)n1 ZINC001571225969 953155049 /nfs/dbraw/zinc/15/50/49/953155049.db2.gz PHWWTNIPYBHOFZ-GXTWGEPZSA-N -1 3 383.416 0.601 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)[C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)n1 ZINC001571225958 953155091 /nfs/dbraw/zinc/15/50/91/953155091.db2.gz PBPADDIPVCQIDN-RISCZKNCSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)[C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)n1 ZINC001571225958 953155094 /nfs/dbraw/zinc/15/50/94/953155094.db2.gz PBPADDIPVCQIDN-RISCZKNCSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)[C@H]2CN(C(=O)c3cn[nH]c3)CCO2)n1 ZINC001571225959 953155224 /nfs/dbraw/zinc/15/52/24/953155224.db2.gz PBPADDIPVCQIDN-SMDDNHRTSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)[C@H]2CN(C(=O)c3cn[nH]c3)CCO2)n1 ZINC001571225959 953155230 /nfs/dbraw/zinc/15/52/30/953155230.db2.gz PBPADDIPVCQIDN-SMDDNHRTSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nnc(CC(=O)N2CCCC[C@H]2CNc2ncccc2-c2nnn[n-]2)o1 ZINC001571226399 953155426 /nfs/dbraw/zinc/15/54/26/953155426.db2.gz PUVPVQWPQUQTBF-LBPRGKRZSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1nnc(CC(=O)N2CCCC[C@H]2CNc2ncccc2-c2nn[n-]n2)o1 ZINC001571226399 953155427 /nfs/dbraw/zinc/15/54/27/953155427.db2.gz PUVPVQWPQUQTBF-LBPRGKRZSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1c[nH]c(C(=O)N[C@@H]2CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571226409 953155445 /nfs/dbraw/zinc/15/54/45/953155445.db2.gz QASOAIJCCSFHPF-ZYHUDNBSSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571226423 953155517 /nfs/dbraw/zinc/15/55/17/953155517.db2.gz QKPDIXBQRZKQBY-UMSPYCQHSA-N -1 3 383.416 0.473 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571226423 953155518 /nfs/dbraw/zinc/15/55/18/953155518.db2.gz QKPDIXBQRZKQBY-UMSPYCQHSA-N -1 3 383.416 0.473 20 0 GCADHM Cc1noc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)n1 ZINC001571226684 953156762 /nfs/dbraw/zinc/15/67/62/953156762.db2.gz VZMIEVGCFPNHBM-GFCCVEGCSA-N -1 3 383.416 0.907 20 0 GCADHM Cc1noc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)n1 ZINC001571226684 953156766 /nfs/dbraw/zinc/15/67/66/953156766.db2.gz VZMIEVGCFPNHBM-GFCCVEGCSA-N -1 3 383.416 0.907 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571226680 953156819 /nfs/dbraw/zinc/15/68/19/953156819.db2.gz VUZIILQCZXEFKF-LBPRGKRZSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1c[nH]nc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571226680 953156820 /nfs/dbraw/zinc/15/68/20/953156820.db2.gz VUZIILQCZXEFKF-LBPRGKRZSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1nc(N2CC[C@@H](CNC(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nnn[n-]1 ZINC001571226645 953156875 /nfs/dbraw/zinc/15/68/75/953156875.db2.gz ULLFTNVWIPXZOI-NSHDSACASA-N -1 3 383.416 0.266 20 0 GCADHM Cc1nc(N2CC[C@@H](CNC(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nn[n-]n1 ZINC001571226645 953156877 /nfs/dbraw/zinc/15/68/77/953156877.db2.gz ULLFTNVWIPXZOI-NSHDSACASA-N -1 3 383.416 0.266 20 0 GCADHM Cc1cc(N[C@H](C)[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)ncn1 ZINC001571226673 953156981 /nfs/dbraw/zinc/15/69/81/953156981.db2.gz VSFVAOLAXDCCLM-BXUZGUMPSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1cc(N[C@H](C)[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)ncn1 ZINC001571226673 953156983 /nfs/dbraw/zinc/15/69/83/953156983.db2.gz VSFVAOLAXDCCLM-BXUZGUMPSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1cnn(CC(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571227158 953158062 /nfs/dbraw/zinc/15/80/62/953158062.db2.gz ZYPSSLQCZHXXIM-CYBMUJFWSA-N -1 3 383.416 0.121 20 0 GCADHM Cc1cnn(CC(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571227158 953158064 /nfs/dbraw/zinc/15/80/64/953158064.db2.gz ZYPSSLQCZHXXIM-CYBMUJFWSA-N -1 3 383.416 0.121 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571227160 953158320 /nfs/dbraw/zinc/15/83/20/953158320.db2.gz ZYYIEXFWLALKTF-MRVPVSSYSA-N -1 3 383.416 0.425 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571227160 953158321 /nfs/dbraw/zinc/15/83/21/953158321.db2.gz ZYYIEXFWLALKTF-MRVPVSSYSA-N -1 3 383.416 0.425 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC001571227100 953158472 /nfs/dbraw/zinc/15/84/72/953158472.db2.gz YODLVUVEULEGEQ-NSHDSACASA-N -1 3 383.416 0.129 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC001571227100 953158474 /nfs/dbraw/zinc/15/84/74/953158474.db2.gz YODLVUVEULEGEQ-NSHDSACASA-N -1 3 383.416 0.129 20 0 GCADHM O=C(NC[C@H]1CCCN1Cc1noc(C2CC2)n1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571227759 953158706 /nfs/dbraw/zinc/15/87/06/953158706.db2.gz BLNNJNUWYXNWMQ-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(NC[C@H]1CCCN1Cc1noc(C2CC2)n1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571227759 953158708 /nfs/dbraw/zinc/15/87/08/953158708.db2.gz BLNNJNUWYXNWMQ-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(CCn1cccn1)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571227813 953160027 /nfs/dbraw/zinc/16/00/27/953160027.db2.gz CMENPIKIVHIXTD-UHFFFAOYSA-N -1 3 383.416 0.202 20 0 GCADHM O=C(CCn1cccn1)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571227813 953160028 /nfs/dbraw/zinc/16/00/28/953160028.db2.gz CMENPIKIVHIXTD-UHFFFAOYSA-N -1 3 383.416 0.202 20 0 GCADHM Cn1c(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)c[nH]c1=O ZINC001571227962 953160815 /nfs/dbraw/zinc/16/08/15/953160815.db2.gz FIIQDZVLIWPXDX-PWSUYJOCSA-N -1 3 383.416 0.711 20 0 GCADHM Cn1c(C(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)c[nH]c1=O ZINC001571227962 953160819 /nfs/dbraw/zinc/16/08/19/953160819.db2.gz FIIQDZVLIWPXDX-PWSUYJOCSA-N -1 3 383.416 0.711 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)Cc1nnc[nH]1 ZINC001571228106 953161709 /nfs/dbraw/zinc/16/17/09/953161709.db2.gz INETUABDGLYNFZ-ZYHUDNBSSA-N -1 3 383.420 0.199 20 0 GCADHM O=C(NC[C@@H]1CCN1Cc1noc(C2CCC2)n1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571228046 953161892 /nfs/dbraw/zinc/16/18/92/953161892.db2.gz GWBARTGPNQSRAY-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(NC[C@@H]1CCN1Cc1noc(C2CCC2)n1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571228046 953161895 /nfs/dbraw/zinc/16/18/95/953161895.db2.gz GWBARTGPNQSRAY-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CC2(C)C)[nH]c1=O ZINC001571228176 953162590 /nfs/dbraw/zinc/16/25/90/953162590.db2.gz KFGQBBKGJYNUKS-CYBMUJFWSA-N -1 3 383.416 0.346 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CC2(C)C)[nH]c1=O ZINC001571228176 953162592 /nfs/dbraw/zinc/16/25/92/953162592.db2.gz KFGQBBKGJYNUKS-CYBMUJFWSA-N -1 3 383.416 0.346 20 0 GCADHM Cc1nonc1CN1CC[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571228234 953163327 /nfs/dbraw/zinc/16/33/27/953163327.db2.gz LLNKHVKNSDGKKF-QGZVFWFLSA-N -1 3 383.416 0.624 20 0 GCADHM Cc1nonc1CN1CC[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571228234 953163329 /nfs/dbraw/zinc/16/33/29/953163329.db2.gz LLNKHVKNSDGKKF-QGZVFWFLSA-N -1 3 383.416 0.624 20 0 GCADHM O=C(NC[C@@H]1CCN1Cc1nc(CC2CC2)no1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571228282 953163969 /nfs/dbraw/zinc/16/39/69/953163969.db2.gz MMRBVJUBXAIUJW-NSHDSACASA-N -1 3 383.416 0.535 20 0 GCADHM O=C(NC[C@@H]1CCN1Cc1nc(CC2CC2)no1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571228282 953163971 /nfs/dbraw/zinc/16/39/71/953163971.db2.gz MMRBVJUBXAIUJW-NSHDSACASA-N -1 3 383.416 0.535 20 0 GCADHM Cn1ccnc1[C@@H]1C[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001571228584 953165245 /nfs/dbraw/zinc/16/52/45/953165245.db2.gz SMWLPYRNHVRYNB-JSGCOSHPSA-N -1 3 383.416 0.715 20 0 GCADHM Cn1ccnc1[C@@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001571228584 953165248 /nfs/dbraw/zinc/16/52/48/953165248.db2.gz SMWLPYRNHVRYNB-JSGCOSHPSA-N -1 3 383.416 0.715 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ncc[nH]1 ZINC001571228569 953165310 /nfs/dbraw/zinc/16/53/10/953165310.db2.gz SCHFFNIYTBODJX-LBPRGKRZSA-N -1 3 383.416 0.733 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ncc[nH]1 ZINC001571228569 953165312 /nfs/dbraw/zinc/16/53/12/953165312.db2.gz SCHFFNIYTBODJX-LBPRGKRZSA-N -1 3 383.416 0.733 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001571228555 953165386 /nfs/dbraw/zinc/16/53/86/953165386.db2.gz RLCAMZWPALCDOE-GFCCVEGCSA-N -1 3 383.416 0.353 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001571228555 953165387 /nfs/dbraw/zinc/16/53/87/953165387.db2.gz RLCAMZWPALCDOE-GFCCVEGCSA-N -1 3 383.416 0.353 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001571228556 953165420 /nfs/dbraw/zinc/16/54/20/953165420.db2.gz RLCAMZWPALCDOE-LBPRGKRZSA-N -1 3 383.416 0.353 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001571228556 953165421 /nfs/dbraw/zinc/16/54/21/953165421.db2.gz RLCAMZWPALCDOE-LBPRGKRZSA-N -1 3 383.416 0.353 20 0 GCADHM CCc1nc(NC[C@@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571228664 953166100 /nfs/dbraw/zinc/16/61/00/953166100.db2.gz VGBJNMXEGXYVJS-NXEZZACHSA-N -1 3 383.420 0.157 20 0 GCADHM CCc1nc(NC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571228665 953166152 /nfs/dbraw/zinc/16/61/52/953166152.db2.gz VGBJNMXEGXYVJS-UWVGGRQHSA-N -1 3 383.420 0.157 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2(C)C)c1 ZINC001571229081 953167666 /nfs/dbraw/zinc/16/76/66/953167666.db2.gz ZUIVSQRZZYZVFG-ZDUSSCGKSA-N -1 3 383.416 0.209 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2(C)C)c1 ZINC001571229081 953167672 /nfs/dbraw/zinc/16/76/72/953167672.db2.gz ZUIVSQRZZYZVFG-ZDUSSCGKSA-N -1 3 383.416 0.209 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cn[nH]c1 ZINC001571228878 953168063 /nfs/dbraw/zinc/16/80/63/953168063.db2.gz XMXJLOVDYHJXRB-CYBMUJFWSA-N -1 3 383.416 0.733 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cn[nH]c1 ZINC001571228878 953168065 /nfs/dbraw/zinc/16/80/65/953168065.db2.gz XMXJLOVDYHJXRB-CYBMUJFWSA-N -1 3 383.416 0.733 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCC[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571230022 953173519 /nfs/dbraw/zinc/17/35/19/953173519.db2.gz QZFFQTHUHMUBQF-MWLCHTKSSA-N -1 3 383.420 0.436 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3nc(C4CC4)ns3)C[C@H]21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571230499 953177294 /nfs/dbraw/zinc/17/72/94/953177294.db2.gz FMEBFULTVXXWMN-IAZYJMLFSA-N -1 3 383.441 0.788 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3nc(C4CC4)ns3)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571230499 953177297 /nfs/dbraw/zinc/17/72/97/953177297.db2.gz FMEBFULTVXXWMN-IAZYJMLFSA-N -1 3 383.441 0.788 20 0 GCADHM Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cnccn2)C3)c1-c1nnn[n-]1 ZINC001571230531 953178008 /nfs/dbraw/zinc/17/80/08/953178008.db2.gz FWMGPYRRQHMFMS-FOGDFJRCSA-N -1 3 383.441 0.961 20 0 GCADHM CC(C)CN1C[C@@H](C(=O)N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)CC1=O ZINC001571230718 953179391 /nfs/dbraw/zinc/17/93/91/953179391.db2.gz IOPJPRPNTBACCB-AWEZNQCLSA-N -1 3 383.456 0.994 20 0 GCADHM CC(C)CN1C[C@@H](C(=O)N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)CC1=O ZINC001571230718 953179395 /nfs/dbraw/zinc/17/93/95/953179395.db2.gz IOPJPRPNTBACCB-AWEZNQCLSA-N -1 3 383.456 0.994 20 0 GCADHM Cc1nnsc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571230824 953180666 /nfs/dbraw/zinc/18/06/66/953180666.db2.gz LCAMXKJPHWBPQE-ICCXJUOJSA-N -1 3 383.441 0.961 20 0 GCADHM 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953212825 /nfs/dbraw/zinc/21/28/25/953212825.db2.gz GDDPRGAFHHXPML-GFCCVEGCSA-N -1 3 384.400 0.447 20 0 GCADHM CCc1nc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)o1 ZINC001571235493 953212921 /nfs/dbraw/zinc/21/29/21/953212921.db2.gz GPROOUSOXHZZCV-NSHDSACASA-N -1 3 384.400 0.698 20 0 GCADHM CCc1nc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)o1 ZINC001571235493 953212925 /nfs/dbraw/zinc/21/29/25/953212925.db2.gz GPROOUSOXHZZCV-NSHDSACASA-N -1 3 384.400 0.698 20 0 GCADHM CCc1nc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)o1 ZINC001571235492 953213179 /nfs/dbraw/zinc/21/31/79/953213179.db2.gz GPROOUSOXHZZCV-LLVKDONJSA-N -1 3 384.400 0.698 20 0 GCADHM CCc1nc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)o1 ZINC001571235492 953213180 /nfs/dbraw/zinc/21/31/80/953213180.db2.gz GPROOUSOXHZZCV-LLVKDONJSA-N -1 3 384.400 0.698 20 0 GCADHM Cn1nc(C(=O)N[C@H]2C[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)ccc1=O ZINC001571235555 953213620 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384.400 0.732 20 0 GCADHM O=C(NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC001571235862 953215766 /nfs/dbraw/zinc/21/57/66/953215766.db2.gz QFFNTCLXCFNEBJ-LLVKDONJSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC001571235862 953215771 /nfs/dbraw/zinc/21/57/71/953215771.db2.gz QFFNTCLXCFNEBJ-LLVKDONJSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC001571235865 953215908 /nfs/dbraw/zinc/21/59/08/953215908.db2.gz QFFNTCLXCFNEBJ-NSHDSACASA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC001571235865 953215911 /nfs/dbraw/zinc/21/59/11/953215911.db2.gz QFFNTCLXCFNEBJ-NSHDSACASA-N -1 3 384.375 0.431 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1NC(=O)Cc1cnoc1 ZINC001571235906 953215974 /nfs/dbraw/zinc/21/59/74/953215974.db2.gz QYMJSLRGFZUMIO-ZDUSSCGKSA-N -1 3 384.400 0.392 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1NC(=O)Cc1cnoc1 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/nfs/dbraw/zinc/21/75/77/953217577.db2.gz WTCLNZKMYPJYDU-CHWSQXEVSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)on1 ZINC001571236341 953217579 /nfs/dbraw/zinc/21/75/79/953217579.db2.gz WTCLNZKMYPJYDU-CHWSQXEVSA-N -1 3 384.400 0.353 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571236433 953217829 /nfs/dbraw/zinc/21/78/29/953217829.db2.gz ZYGNSUMIZCEWPD-KOLCDFICSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571236433 953217832 /nfs/dbraw/zinc/21/78/32/953217832.db2.gz ZYGNSUMIZCEWPD-KOLCDFICSA-N -1 3 384.375 0.762 20 0 GCADHM Cc1nc(CN2CC3(C2)C[C@@H](NC(=O)c2ccc(-c4nnn[n-]4)[nH]2)CO3)co1 ZINC001571236653 953218057 /nfs/dbraw/zinc/21/80/57/953218057.db2.gz AOVGUFBQRCVZQP-LLVKDONJSA-N -1 3 384.400 0.265 20 0 GCADHM Cc1nc(CN2CC3(C2)C[C@@H](NC(=O)c2ccc(-c4nn[n-]n4)[nH]2)CO3)co1 ZINC001571236653 953218060 /nfs/dbraw/zinc/21/80/60/953218060.db2.gz AOVGUFBQRCVZQP-LLVKDONJSA-N -1 3 384.400 0.265 20 0 GCADHM Cc1noc(C)c1C(=O)N[C@H](C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571236629 953218181 /nfs/dbraw/zinc/21/81/81/953218181.db2.gz AGGSLKSYSJDSEM-MRVPVSSYSA-N -1 3 384.400 0.690 20 0 GCADHM Cc1noc(C)c1C(=O)N[C@H](C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571236629 953218183 /nfs/dbraw/zinc/21/81/83/953218183.db2.gz AGGSLKSYSJDSEM-MRVPVSSYSA-N -1 3 384.400 0.690 20 0 GCADHM Cc1noc(C)c1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571236630 953218275 /nfs/dbraw/zinc/21/82/75/953218275.db2.gz AGGSLKSYSJDSEM-QMMMGPOBSA-N -1 3 384.400 0.690 20 0 GCADHM Cc1noc(C)c1C(=O)N[C@@H](C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571236630 953218276 /nfs/dbraw/zinc/21/82/76/953218276.db2.gz AGGSLKSYSJDSEM-QMMMGPOBSA-N -1 3 384.400 0.690 20 0 GCADHM Cc1noc(C)c1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571236713 953218633 /nfs/dbraw/zinc/21/86/33/953218633.db2.gz CAEHCNQSPFLDIS-LLVKDONJSA-N -1 3 384.400 0.373 20 0 GCADHM Cc1noc(C)c1CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571236713 953218637 /nfs/dbraw/zinc/21/86/37/953218637.db2.gz CAEHCNQSPFLDIS-LLVKDONJSA-N -1 3 384.400 0.373 20 0 GCADHM Cc1conc1CN1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001571236940 953218883 /nfs/dbraw/zinc/21/88/83/953218883.db2.gz CZJSUIGTILWVEV-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM Cc1conc1CN1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001571236940 953218885 /nfs/dbraw/zinc/21/88/85/953218885.db2.gz CZJSUIGTILWVEV-UHFFFAOYSA-N -1 3 384.400 0.218 20 0 GCADHM Cc1nocc1C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236918 953219166 /nfs/dbraw/zinc/21/91/66/953219166.db2.gz CWVGGMZARBITMB-NSHDSACASA-N -1 3 384.400 0.773 20 0 GCADHM Cc1nocc1C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236918 953219167 /nfs/dbraw/zinc/21/91/67/953219167.db2.gz CWVGGMZARBITMB-NSHDSACASA-N -1 3 384.400 0.773 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571236963 953219698 /nfs/dbraw/zinc/21/96/98/953219698.db2.gz DIUPXQPQMLMRIL-PWSUYJOCSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571236963 953219700 /nfs/dbraw/zinc/21/97/00/953219700.db2.gz DIUPXQPQMLMRIL-PWSUYJOCSA-N -1 3 384.400 0.914 20 0 GCADHM O=C(Cc1ccon1)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571237528 953222106 /nfs/dbraw/zinc/22/21/06/953222106.db2.gz JWLIMNHXLCPAQK-CMPLNLGQSA-N -1 3 384.400 0.440 20 0 GCADHM O=C(Cc1ccon1)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571237528 953222108 /nfs/dbraw/zinc/22/21/08/953222108.db2.gz JWLIMNHXLCPAQK-CMPLNLGQSA-N -1 3 384.400 0.440 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571237508 953222140 /nfs/dbraw/zinc/22/21/40/953222140.db2.gz JGSJNLNMPBZPAO-QWRGUYRKSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571237508 953222142 /nfs/dbraw/zinc/22/21/42/953222142.db2.gz JGSJNLNMPBZPAO-QWRGUYRKSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CCCO2)on1 ZINC001571237637 953222217 /nfs/dbraw/zinc/22/22/17/953222217.db2.gz KBLGMIJBIHGXME-GFCCVEGCSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CCCO2)on1 ZINC001571237637 953222218 /nfs/dbraw/zinc/22/22/18/953222218.db2.gz KBLGMIJBIHGXME-GFCCVEGCSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571237507 953222429 /nfs/dbraw/zinc/22/24/29/953222429.db2.gz JGSJNLNMPBZPAO-MNOVXSKESA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571237507 953222431 /nfs/dbraw/zinc/22/24/31/953222431.db2.gz JGSJNLNMPBZPAO-MNOVXSKESA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571237901 953223439 /nfs/dbraw/zinc/22/34/39/953223439.db2.gz NKAOUAAJMNCPMO-KRWDZBQOSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571237901 953223445 /nfs/dbraw/zinc/22/34/45/953223445.db2.gz NKAOUAAJMNCPMO-KRWDZBQOSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1cc(CC(=O)N(C)[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571237974 953223813 /nfs/dbraw/zinc/22/38/13/953223813.db2.gz PJFZUSMRDVIUED-ZDUSSCGKSA-N -1 3 384.400 0.407 20 0 GCADHM Cc1cc(CC(=O)N(C)[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571237974 953223817 /nfs/dbraw/zinc/22/38/17/953223817.db2.gz PJFZUSMRDVIUED-ZDUSSCGKSA-N -1 3 384.400 0.407 20 0 GCADHM COc1cc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)on1 ZINC001571237987 953223895 /nfs/dbraw/zinc/22/38/95/953223895.db2.gz PZONHTIFQRZHFC-GFCCVEGCSA-N -1 3 384.400 0.904 20 0 GCADHM COc1cc(CCC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)on1 ZINC001571237987 953223898 /nfs/dbraw/zinc/22/38/98/953223898.db2.gz PZONHTIFQRZHFC-GFCCVEGCSA-N -1 3 384.400 0.904 20 0 GCADHM Cc1nocc1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571237956 953223925 /nfs/dbraw/zinc/22/39/25/953223925.db2.gz OXACBCJJWRVVFL-ZWNOBZJWSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nocc1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571237956 953223926 /nfs/dbraw/zinc/22/39/26/953223926.db2.gz OXACBCJJWRVVFL-ZWNOBZJWSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)N2CCC(O)(CNc3ccc(-c4nnn[n-]4)nc3)CC2)no1 ZINC001571238007 953224553 /nfs/dbraw/zinc/22/45/53/953224553.db2.gz QKGNGRGUQYBCNF-UHFFFAOYSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1cc(C(=O)N2CCC(O)(CNc3ccc(-c4nn[n-]n4)nc3)CC2)no1 ZINC001571238007 953224557 /nfs/dbraw/zinc/22/45/57/953224557.db2.gz QKGNGRGUQYBCNF-UHFFFAOYSA-N -1 3 384.400 0.637 20 0 GCADHM O=C(NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1)c1ccc[nH]1 ZINC001571238056 953224678 /nfs/dbraw/zinc/22/46/78/953224678.db2.gz SHQZDLMHVYEIRW-NSHDSACASA-N -1 3 384.400 0.184 20 0 GCADHM O=C(NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1)c1ccc[nH]1 ZINC001571238056 953224680 /nfs/dbraw/zinc/22/46/80/953224680.db2.gz SHQZDLMHVYEIRW-NSHDSACASA-N -1 3 384.400 0.184 20 0 GCADHM Cc1nocc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238021 953224721 /nfs/dbraw/zinc/22/47/21/953224721.db2.gz RLGMLOLLQDWBKR-GHMZBOCLSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1nocc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238021 953224724 /nfs/dbraw/zinc/22/47/24/953224724.db2.gz RLGMLOLLQDWBKR-GHMZBOCLSA-N -1 3 384.400 0.962 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCN(C(=O)c2cnco2)CC1 ZINC001571238043 953225091 /nfs/dbraw/zinc/22/50/91/953225091.db2.gz RWNMAVMXWJYDGJ-SNVBAGLBSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCN(C(=O)c2cnco2)CC1 ZINC001571238043 953225094 /nfs/dbraw/zinc/22/50/94/953225094.db2.gz RWNMAVMXWJYDGJ-SNVBAGLBSA-N -1 3 384.400 0.854 20 0 GCADHM Cc1cc(CCC(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571238125 953225506 /nfs/dbraw/zinc/22/55/06/953225506.db2.gz UUSJFCYIYKCYAE-GFCCVEGCSA-N -1 3 384.400 0.455 20 0 GCADHM Cc1cc(CCC(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571238125 953225508 /nfs/dbraw/zinc/22/55/08/953225508.db2.gz UUSJFCYIYKCYAE-GFCCVEGCSA-N -1 3 384.400 0.455 20 0 GCADHM Cc1nc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)o1 ZINC001571238229 953226626 /nfs/dbraw/zinc/22/66/26/953226626.db2.gz XHYAVJOSYSCLIN-LLVKDONJSA-N -1 3 384.400 0.692 20 0 GCADHM Cc1nc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)o1 ZINC001571238229 953226628 /nfs/dbraw/zinc/22/66/28/953226628.db2.gz XHYAVJOSYSCLIN-LLVKDONJSA-N -1 3 384.400 0.692 20 0 GCADHM Cc1ocnc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1 ZINC001571238255 953227512 /nfs/dbraw/zinc/22/75/12/953227512.db2.gz YCQLWPUSMVKACY-ZDUSSCGKSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1ocnc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1 ZINC001571238255 953227515 /nfs/dbraw/zinc/22/75/15/953227515.db2.gz YCQLWPUSMVKACY-ZDUSSCGKSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1nc[nH]c1C(=O)N1CCO[C@@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238630 953230950 /nfs/dbraw/zinc/23/09/50/953230950.db2.gz ISBKWUIMENBPHC-BXKDBHETSA-N -1 3 384.404 0.030 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238718 953231989 /nfs/dbraw/zinc/23/19/89/953231989.db2.gz KUXAHXRJMJEZKF-GHMZBOCLSA-N -1 3 384.404 0.092 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238718 953231991 /nfs/dbraw/zinc/23/19/91/953231991.db2.gz KUXAHXRJMJEZKF-GHMZBOCLSA-N -1 3 384.404 0.092 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]c1=O ZINC001571238893 953234183 /nfs/dbraw/zinc/23/41/83/953234183.db2.gz OGCIUYSPRMJGAK-VHSXEESVSA-N -1 3 384.404 0.106 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)[nH]c1=O ZINC001571239235 953237346 /nfs/dbraw/zinc/23/73/46/953237346.db2.gz RFGCZDCDDAQANW-VHSXEESVSA-N -1 3 384.404 0.106 20 0 GCADHM Cc1n[nH]nc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C ZINC001571239784 953242987 /nfs/dbraw/zinc/24/29/87/953242987.db2.gz XRWAITIAZKXXAY-WPRPVWTQSA-N -1 3 384.404 0.044 20 0 GCADHM NS(=O)(=O)Cc1ccc(C(=O)N2CCc3c2cccc3-c2nnn[n-]2)cc1 ZINC001571241663 953248621 /nfs/dbraw/zinc/24/86/21/953248621.db2.gz HMYLRUBERCNJSZ-UHFFFAOYSA-N -1 3 384.421 0.858 20 0 GCADHM NS(=O)(=O)Cc1ccc(C(=O)N2CCc3c2cccc3-c2nn[n-]n2)cc1 ZINC001571241663 953248625 /nfs/dbraw/zinc/24/86/25/953248625.db2.gz HMYLRUBERCNJSZ-UHFFFAOYSA-N -1 3 384.421 0.858 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)S(C)(=O)=O ZINC001571241656 953248967 /nfs/dbraw/zinc/24/89/67/953248967.db2.gz HMLWDNUJXIULCO-VHSXEESVSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)S(C)(=O)=O ZINC001571241656 953248970 /nfs/dbraw/zinc/24/89/70/953248970.db2.gz HMLWDNUJXIULCO-VHSXEESVSA-N -1 3 384.437 0.969 20 0 GCADHM NC(=O)c1ccc(S(=O)(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001571241681 953249046 /nfs/dbraw/zinc/24/90/46/953249046.db2.gz IFRDKSIYUAKGER-CQSZACIVSA-N -1 3 384.421 0.411 20 0 GCADHM NC(=O)c1ccc(S(=O)(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001571241681 953249048 /nfs/dbraw/zinc/24/90/48/953249048.db2.gz IFRDKSIYUAKGER-CQSZACIVSA-N -1 3 384.421 0.411 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)[C@@H](C)C2)C1 ZINC001571241683 953249134 /nfs/dbraw/zinc/24/91/34/953249134.db2.gz IGMTUBNCSKXQLK-BONVTDFDSA-N -1 3 384.444 0.307 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)[C@@H](C)C2)C1 ZINC001571241683 953249137 /nfs/dbraw/zinc/24/91/37/953249137.db2.gz IGMTUBNCSKXQLK-BONVTDFDSA-N -1 3 384.444 0.307 20 0 GCADHM Cc1nscc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571241801 953249381 /nfs/dbraw/zinc/24/93/81/953249381.db2.gz MAGRFLLNGFOAIV-IWIIMEHWSA-N -1 3 384.425 0.460 20 0 GCADHM Cc1nscc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571241801 953249382 /nfs/dbraw/zinc/24/93/82/953249382.db2.gz MAGRFLLNGFOAIV-IWIIMEHWSA-N -1 3 384.425 0.460 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1)[C@]12C[C@H]1COC2 ZINC001571241880 953250547 /nfs/dbraw/zinc/25/05/47/953250547.db2.gz OHXSRQPNAXRVJI-FCEWJHQRSA-N -1 3 384.440 0.220 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)[C@]12C[C@H]1COC2 ZINC001571241880 953250550 /nfs/dbraw/zinc/25/05/50/953250550.db2.gz OHXSRQPNAXRVJI-FCEWJHQRSA-N -1 3 384.440 0.220 20 0 GCADHM NC(=O)c1cccc2c1CCN(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC001571241893 953250851 /nfs/dbraw/zinc/25/08/51/953250851.db2.gz OVRJDULDOZBBIY-UHFFFAOYSA-N -1 3 384.421 0.713 20 0 GCADHM NC(=O)c1cccc2c1CCN(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC001571241893 953250854 /nfs/dbraw/zinc/25/08/54/953250854.db2.gz OVRJDULDOZBBIY-UHFFFAOYSA-N -1 3 384.421 0.713 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571241927 953251532 /nfs/dbraw/zinc/25/15/32/953251532.db2.gz PWLXDRKQLRNXMJ-SNVBAGLBSA-N -1 3 384.425 0.749 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571241927 953251534 /nfs/dbraw/zinc/25/15/34/953251534.db2.gz PWLXDRKQLRNXMJ-SNVBAGLBSA-N -1 3 384.425 0.749 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001571242033 953252014 /nfs/dbraw/zinc/25/20/14/953252014.db2.gz TUUIRVHFTUQLSY-ZUZCIYMTSA-N -1 3 384.444 0.307 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001571242033 953252019 /nfs/dbraw/zinc/25/20/19/953252019.db2.gz TUUIRVHFTUQLSY-ZUZCIYMTSA-N -1 3 384.444 0.307 20 0 GCADHM Cn1ccc(CC(=O)N[C@@H]2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)n1 ZINC001571242003 953252309 /nfs/dbraw/zinc/25/23/09/953252309.db2.gz SNZYFZSQSZUGLW-CQSZACIVSA-N -1 3 384.419 0.673 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571242088 953253166 /nfs/dbraw/zinc/25/31/66/953253166.db2.gz AZELGHWKJBIIOC-KGLIPLIRSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571242088 953253169 /nfs/dbraw/zinc/25/31/69/953253169.db2.gz AZELGHWKJBIIOC-KGLIPLIRSA-N -1 3 384.444 0.215 20 0 GCADHM CC1(C)CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571242079 953253232 /nfs/dbraw/zinc/25/32/32/953253232.db2.gz AVXLMQRTOLVGDQ-AAEUAGOBSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571242079 953253235 /nfs/dbraw/zinc/25/32/35/953253235.db2.gz AVXLMQRTOLVGDQ-AAEUAGOBSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571242080 953253289 /nfs/dbraw/zinc/25/32/89/953253289.db2.gz AVXLMQRTOLVGDQ-DGCLKSJQSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571242080 953253292 /nfs/dbraw/zinc/25/32/92/953253292.db2.gz AVXLMQRTOLVGDQ-DGCLKSJQSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)C[C@@H]1CCN(C)C1=O 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/nfs/dbraw/zinc/25/54/83/953255483.db2.gz DUDLNHLJFDVLDI-TZMCWYRMSA-N -1 3 384.444 0.533 20 0 GCADHM CC1(Nc2ncccc2-c2nnn[n-]2)CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001571242298 953255564 /nfs/dbraw/zinc/25/55/64/953255564.db2.gz CSFHQVLUXQGJGN-LBPRGKRZSA-N -1 3 384.444 0.581 20 0 GCADHM CC1(Nc2ncccc2-c2nn[n-]n2)CCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001571242298 953255566 /nfs/dbraw/zinc/25/55/66/953255566.db2.gz CSFHQVLUXQGJGN-LBPRGKRZSA-N -1 3 384.444 0.581 20 0 GCADHM CN1C[C@@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC001571242373 953255624 /nfs/dbraw/zinc/25/56/24/953255624.db2.gz DUDLNHLJFDVLDI-JSGCOSHPSA-N -1 3 384.444 0.533 20 0 GCADHM CN1C[C@@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC001571242373 953255627 /nfs/dbraw/zinc/25/56/27/953255627.db2.gz DUDLNHLJFDVLDI-JSGCOSHPSA-N -1 3 384.444 0.533 20 0 GCADHM CCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571242396 953256106 /nfs/dbraw/zinc/25/61/06/953256106.db2.gz FLZVLWVOXVINSX-KWCYVHTRSA-N -1 3 384.444 0.389 20 0 GCADHM CCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571242396 953256109 /nfs/dbraw/zinc/25/61/09/953256109.db2.gz FLZVLWVOXVINSX-KWCYVHTRSA-N -1 3 384.444 0.389 20 0 GCADHM CN1CC[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CC1=O ZINC001571242538 953258070 /nfs/dbraw/zinc/25/80/70/953258070.db2.gz IMPKSVUAVPCTEN-BZPMIXESSA-N -1 3 384.444 0.437 20 0 GCADHM CN1CC[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CC1=O ZINC001571242538 953258073 /nfs/dbraw/zinc/25/80/73/953258073.db2.gz IMPKSVUAVPCTEN-BZPMIXESSA-N -1 3 384.444 0.437 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571242648 953258602 /nfs/dbraw/zinc/25/86/02/953258602.db2.gz KYRCOXAYXUDVAF-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571242648 953258604 /nfs/dbraw/zinc/25/86/04/953258604.db2.gz KYRCOXAYXUDVAF-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)CN2CCCC2=O)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571242633 953258948 /nfs/dbraw/zinc/25/89/48/953258948.db2.gz KOVKLEQYBBOGIY-OCCSQVGLSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)CN2CCCC2=O)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571242633 953258951 /nfs/dbraw/zinc/25/89/51/953258951.db2.gz KOVKLEQYBBOGIY-OCCSQVGLSA-N -1 3 384.444 0.358 20 0 GCADHM CN(C(=O)C[C@@H]1CCC(=O)N1)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571242697 953259317 /nfs/dbraw/zinc/25/93/17/953259317.db2.gz LXJODYSSLKSGJK-LBPRGKRZSA-N -1 3 384.444 0.358 20 0 GCADHM CN(C(=O)C[C@@H]1CCC(=O)N1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571242697 953259321 /nfs/dbraw/zinc/25/93/21/953259321.db2.gz LXJODYSSLKSGJK-LBPRGKRZSA-N -1 3 384.444 0.358 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 ZINC001571242846 953260340 /nfs/dbraw/zinc/26/03/40/953260340.db2.gz PGUIBZOCVXVDTR-ZIAGYGMSSA-N -1 3 384.444 0.200 20 0 GCADHM 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XIWFTCTZOXTLLJ-CHWSQXEVSA-N -1 3 384.444 0.214 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571243125 953263530 /nfs/dbraw/zinc/26/35/30/953263530.db2.gz WSNIGDODJDQAAQ-JSGCOSHPSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571243125 953263531 /nfs/dbraw/zinc/26/35/31/953263531.db2.gz WSNIGDODJDQAAQ-JSGCOSHPSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@]1(CNc2ncccc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001571243156 953263549 /nfs/dbraw/zinc/26/35/49/953263549.db2.gz XKFNQCISFNEMMQ-XIKOKIGWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@]1(CNc2ncccc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001571243156 953263551 /nfs/dbraw/zinc/26/35/51/953263551.db2.gz XKFNQCISFNEMMQ-XIKOKIGWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571243126 953263650 /nfs/dbraw/zinc/26/36/50/953263650.db2.gz WSNIGDODJDQAAQ-OCCSQVGLSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571243126 953263655 /nfs/dbraw/zinc/26/36/55/953263655.db2.gz WSNIGDODJDQAAQ-OCCSQVGLSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001571243229 953263973 /nfs/dbraw/zinc/26/39/73/953263973.db2.gz ZYIXONWMJSUOMU-XIKOKIGWSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001571243229 953263974 /nfs/dbraw/zinc/26/39/74/953263974.db2.gz ZYIXONWMJSUOMU-XIKOKIGWSA-N -1 3 384.444 0.581 20 0 GCADHM CCN1C[C@H](C(=O)N2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)CC1=O ZINC001571243182 953264319 /nfs/dbraw/zinc/26/43/19/953264319.db2.gz YETONPXSURGRBP-CYBMUJFWSA-N -1 3 384.444 0.087 20 0 GCADHM CCN1C[C@H](C(=O)N2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)CC1=O ZINC001571243182 953264322 /nfs/dbraw/zinc/26/43/22/953264322.db2.gz YETONPXSURGRBP-CYBMUJFWSA-N -1 3 384.444 0.087 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571245415 953272888 /nfs/dbraw/zinc/27/28/88/953272888.db2.gz IALFDIWZDWDAMX-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571245415 953272889 /nfs/dbraw/zinc/27/28/89/953272889.db2.gz IALFDIWZDWDAMX-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1Cc1ncnn1CC ZINC001571245403 953272920 /nfs/dbraw/zinc/27/29/20/953272920.db2.gz HYUKEWDMUIJQON-GXTWGEPZSA-N -1 3 384.448 0.589 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1Cc1ncnn1CC ZINC001571245403 953272921 /nfs/dbraw/zinc/27/29/21/953272921.db2.gz HYUKEWDMUIJQON-GXTWGEPZSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1ncc(CN2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C(C)(C)C2)n1 ZINC001571245691 953276230 /nfs/dbraw/zinc/27/62/30/953276230.db2.gz KYCNJNFAXZQMJE-AWEZNQCLSA-N -1 3 384.448 0.447 20 0 GCADHM CCn1ncc(CN2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C(C)(C)C2)n1 ZINC001571245691 953276232 /nfs/dbraw/zinc/27/62/32/953276232.db2.gz KYCNJNFAXZQMJE-AWEZNQCLSA-N -1 3 384.448 0.447 20 0 GCADHM CN(Cc1cnn(C)n1)CC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571246083 953279973 /nfs/dbraw/zinc/27/99/73/953279973.db2.gz SDNKNAVCLBOOFU-UHFFFAOYSA-N -1 3 384.448 0.308 20 0 GCADHM CC(C)n1cc(CN2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)nn1 ZINC001571246198 953280640 /nfs/dbraw/zinc/28/06/40/953280640.db2.gz VVFWIHLKCVGDRJ-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)nn1 ZINC001571246198 953280646 /nfs/dbraw/zinc/28/06/46/953280646.db2.gz VVFWIHLKCVGDRJ-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCN(Cc2cnn(C)n2)CC1 ZINC001571246234 953281898 /nfs/dbraw/zinc/28/18/98/953281898.db2.gz WTHCWNGYDWOZAL-NSHDSACASA-N -1 3 384.448 0.354 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCN(Cc2cnn(C)n2)CC1 ZINC001571246234 953281901 /nfs/dbraw/zinc/28/19/01/953281901.db2.gz WTHCWNGYDWOZAL-NSHDSACASA-N -1 3 384.448 0.354 20 0 GCADHM Cc1nn(C)c(N2CCN(C(=O)c3nccn3C(C)C)CC2)c1-c1nnn[n-]1 ZINC001571246252 953282141 /nfs/dbraw/zinc/28/21/41/953282141.db2.gz WWLJMOQWSVVABB-UHFFFAOYSA-N -1 3 384.448 0.648 20 0 GCADHM Cc1nn(C)c(N2CCN(C(=O)c3nccn3C(C)C)CC2)c1-c1nn[n-]n1 ZINC001571246252 953282143 /nfs/dbraw/zinc/28/21/43/953282143.db2.gz WWLJMOQWSVVABB-UHFFFAOYSA-N -1 3 384.448 0.648 20 0 GCADHM CCCn1ncnc1CN(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571246328 953282629 /nfs/dbraw/zinc/28/26/29/953282629.db2.gz YGCFACVSVLLTMS-ZDUSSCGKSA-N -1 3 384.448 0.543 20 0 GCADHM CCCn1ncnc1CN(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571246328 953282632 /nfs/dbraw/zinc/28/26/32/953282632.db2.gz YGCFACVSVLLTMS-ZDUSSCGKSA-N -1 3 384.448 0.543 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1Cc1cnn(CC)n1 ZINC001571246349 953282660 /nfs/dbraw/zinc/28/26/60/953282660.db2.gz YOQJNBGMWDVTSU-DZGCQCFKSA-N -1 3 384.448 0.589 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1Cc1cnn(CC)n1 ZINC001571246349 953282663 /nfs/dbraw/zinc/28/26/63/953282663.db2.gz YOQJNBGMWDVTSU-DZGCQCFKSA-N -1 3 384.448 0.589 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571247597 953284535 /nfs/dbraw/zinc/28/45/35/953284535.db2.gz ASMPQKSTKHXLOB-ZMJPVWNMSA-N -1 3 384.444 0.613 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571247597 953284541 /nfs/dbraw/zinc/28/45/41/953284541.db2.gz ASMPQKSTKHXLOB-ZMJPVWNMSA-N -1 3 384.444 0.613 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001571248059 953288649 /nfs/dbraw/zinc/28/86/49/953288649.db2.gz DAOIRKLPVYSJPX-UBHSHLNASA-N -1 3 384.444 0.627 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001571248059 953288652 /nfs/dbraw/zinc/28/86/52/953288652.db2.gz DAOIRKLPVYSJPX-UBHSHLNASA-N -1 3 384.444 0.627 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)ccc1-c1nnn[n-]1 ZINC001571248047 953289241 /nfs/dbraw/zinc/28/92/41/953289241.db2.gz CQDFMISBIFLJBE-CHWSQXEVSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)ccc1-c1nn[n-]n1 ZINC001571248047 953289244 /nfs/dbraw/zinc/28/92/44/953289244.db2.gz CQDFMISBIFLJBE-CHWSQXEVSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2C)n1 ZINC001571248520 953294606 /nfs/dbraw/zinc/29/46/06/953294606.db2.gz FGKNEFYMZFLEKS-HONMWMINSA-N -1 3 384.444 0.450 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3C)C[C@H]2C)n1 ZINC001571248520 953294608 /nfs/dbraw/zinc/29/46/08/953294608.db2.gz FGKNEFYMZFLEKS-HONMWMINSA-N -1 3 384.444 0.450 20 0 GCADHM O=C(CCN1CCCC1=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571248577 953295151 /nfs/dbraw/zinc/29/51/51/953295151.db2.gz GYQRVMYYCNFXRX-AWEZNQCLSA-N -1 3 384.444 0.677 20 0 GCADHM O=C(CCN1CCCC1=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571248577 953295155 /nfs/dbraw/zinc/29/51/55/953295155.db2.gz GYQRVMYYCNFXRX-AWEZNQCLSA-N -1 3 384.444 0.677 20 0 GCADHM O=C(NCC1CN([C@@H]2CCN(C3CCC3)C2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571248590 953295256 /nfs/dbraw/zinc/29/52/56/953295256.db2.gz HELNFVQCGNHWJV-OAHLLOKOSA-N -1 3 384.444 0.010 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)n1 ZINC001571248630 953295307 /nfs/dbraw/zinc/29/53/07/953295307.db2.gz HTVRENSWBDGVRG-FRRDWIJNSA-N -1 3 384.444 0.485 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)n1 ZINC001571248630 953295310 /nfs/dbraw/zinc/29/53/10/953295310.db2.gz HTVRENSWBDGVRG-FRRDWIJNSA-N -1 3 384.444 0.485 20 0 GCADHM O=C(NCC1CN([C@H]2CCN(C3CCC3)C2=O)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571248589 953295463 /nfs/dbraw/zinc/29/54/63/953295463.db2.gz HELNFVQCGNHWJV-HNNXBMFYSA-N -1 3 384.444 0.010 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)C2)n1 ZINC001571248955 953298578 /nfs/dbraw/zinc/29/85/78/953298578.db2.gz MQDIMAIHWTYQOW-STQMWFEESA-N -1 3 384.444 0.181 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)C2)n1 ZINC001571248955 953298581 /nfs/dbraw/zinc/29/85/81/953298581.db2.gz MQDIMAIHWTYQOW-STQMWFEESA-N -1 3 384.444 0.181 20 0 GCADHM O=C(NCC1CN([C@H]2CCN(C3CCC3)C2=O)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571248913 953298762 /nfs/dbraw/zinc/29/87/62/953298762.db2.gz LSAQPJLOZMVOKB-HNNXBMFYSA-N -1 3 384.444 0.010 20 0 GCADHM O=C(NCC1CN([C@H]2CCN(C3CCC3)C2=O)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571248913 953298765 /nfs/dbraw/zinc/29/87/65/953298765.db2.gz LSAQPJLOZMVOKB-HNNXBMFYSA-N -1 3 384.444 0.010 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)C2)ccc1-c1nnn[n-]1 ZINC001571248891 953299040 /nfs/dbraw/zinc/29/90/40/953299040.db2.gz LGJCIWWIADRLQS-OLZOCXBDSA-N -1 3 384.444 0.133 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(C)C3)C2)ccc1-c1nn[n-]n1 ZINC001571248891 953299047 /nfs/dbraw/zinc/29/90/47/953299047.db2.gz LGJCIWWIADRLQS-OLZOCXBDSA-N -1 3 384.444 0.133 20 0 GCADHM O=C(N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571248974 953299410 /nfs/dbraw/zinc/29/94/10/953299410.db2.gz NEQBXULWAUBEGG-AVGNSLFASA-N -1 3 384.444 0.485 20 0 GCADHM O=C(N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571248974 953299414 /nfs/dbraw/zinc/29/94/14/953299414.db2.gz NEQBXULWAUBEGG-AVGNSLFASA-N -1 3 384.444 0.485 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@@H]1CCC(=O)NC1 ZINC001571249418 953304963 /nfs/dbraw/zinc/30/49/63/953304963.db2.gz PNHMFHJLWQPLJM-CHWSQXEVSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@@H]1CCC(=O)NC1 ZINC001571249418 953304966 /nfs/dbraw/zinc/30/49/66/953304966.db2.gz PNHMFHJLWQPLJM-CHWSQXEVSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571250411 953310991 /nfs/dbraw/zinc/31/09/91/953310991.db2.gz RIGYLFDRDLIRIB-OLZOCXBDSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571250411 953310996 /nfs/dbraw/zinc/31/09/96/953310996.db2.gz RIGYLFDRDLIRIB-OLZOCXBDSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571251222 953315682 /nfs/dbraw/zinc/31/56/82/953315682.db2.gz SSSNQLTZHIKWJG-QWHCGFSZSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571251222 953315687 /nfs/dbraw/zinc/31/56/87/953315687.db2.gz SSSNQLTZHIKWJG-QWHCGFSZSA-N -1 3 384.444 0.438 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)n1 ZINC001571251699 953318246 /nfs/dbraw/zinc/31/82/46/953318246.db2.gz ULEBMFCQVKVNHT-STQMWFEESA-N -1 3 384.444 0.324 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)n1 ZINC001571251699 953318251 /nfs/dbraw/zinc/31/82/51/953318251.db2.gz ULEBMFCQVKVNHT-STQMWFEESA-N -1 3 384.444 0.324 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)C2)ccc1-c1nnn[n-]1 ZINC001571251749 953319830 /nfs/dbraw/zinc/31/98/30/953319830.db2.gz VWCBPETUMDJEHF-UPJWGTAASA-N -1 3 384.444 0.355 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)C2)ccc1-c1nn[n-]n1 ZINC001571251749 953319832 /nfs/dbraw/zinc/31/98/32/953319832.db2.gz VWCBPETUMDJEHF-UPJWGTAASA-N -1 3 384.444 0.355 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571252169 953324438 /nfs/dbraw/zinc/32/44/38/953324438.db2.gz XPSGVFYRHPCZIO-GXTWGEPZSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571252169 953324443 /nfs/dbraw/zinc/32/44/43/953324443.db2.gz XPSGVFYRHPCZIO-GXTWGEPZSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O)c1cc[nH]c1 ZINC001571254274 953337081 /nfs/dbraw/zinc/33/70/81/953337081.db2.gz FGWIYBVJTRXATE-JKSUJKDBSA-N -1 3 385.403 0.699 20 0 GCADHM CC(C)N1C[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)CC1=O ZINC001571254411 953338583 /nfs/dbraw/zinc/33/85/83/953338583.db2.gz CUQXDUOCDYJGFZ-SECBINFHSA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1C[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)CC1=O ZINC001571254411 953338586 /nfs/dbraw/zinc/33/85/86/953338586.db2.gz CUQXDUOCDYJGFZ-SECBINFHSA-N -1 3 384.849 0.808 20 0 GCADHM C[C@H](NC(=O)c1cn(C)nn1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571254438 953338699 /nfs/dbraw/zinc/33/86/99/953338699.db2.gz GNJSUVDVLHUTHC-JTQLQIEISA-N -1 3 385.407 0.385 20 0 GCADHM C[C@H](NC(=O)c1cn(C)nn1)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571254438 953338704 /nfs/dbraw/zinc/33/87/04/953338704.db2.gz GNJSUVDVLHUTHC-JTQLQIEISA-N -1 3 385.407 0.385 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1C[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2C1 ZINC001571254476 953339351 /nfs/dbraw/zinc/33/93/51/953339351.db2.gz GTTMFOPCKGKJHK-LOWVWBTDSA-N -1 3 385.403 0.179 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1C[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2C1 ZINC001571254476 953339355 /nfs/dbraw/zinc/33/93/55/953339355.db2.gz GTTMFOPCKGKJHK-LOWVWBTDSA-N -1 3 385.403 0.179 20 0 GCADHM O=C(N[C@@H](CO)C(=O)OCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC001571254563 953340011 /nfs/dbraw/zinc/34/00/11/953340011.db2.gz FBHRIYAXVVVQMH-HNNXBMFYSA-N -1 3 385.355 0.840 20 0 GCADHM O=C(N[C@@H](CO)C(=O)OCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC001571254563 953340015 /nfs/dbraw/zinc/34/00/15/953340015.db2.gz FBHRIYAXVVVQMH-HNNXBMFYSA-N -1 3 385.355 0.840 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnon2)CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571254927 953343914 /nfs/dbraw/zinc/34/39/14/953343914.db2.gz CWDPLJNAPPMCSA-NXEZZACHSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnon2)CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571254927 953343918 /nfs/dbraw/zinc/34/39/18/953343918.db2.gz CWDPLJNAPPMCSA-NXEZZACHSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H](NC(=O)c1cnn(C)n1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571255415 953349244 /nfs/dbraw/zinc/34/92/44/953349244.db2.gz OXAKKGCHPVUOPR-JTQLQIEISA-N -1 3 385.407 0.385 20 0 GCADHM C[C@H](NC(=O)c1cnn(C)n1)C1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571255415 953349249 /nfs/dbraw/zinc/34/92/49/953349249.db2.gz OXAKKGCHPVUOPR-JTQLQIEISA-N -1 3 385.407 0.385 20 0 GCADHM O=C(NC[C@H]1CCN1C[C@H](O)c1ccccc1F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571255574 953350890 /nfs/dbraw/zinc/35/08/90/953350890.db2.gz QLUYPZSPXATPPN-WBMJQRKESA-N -1 3 385.403 0.872 20 0 GCADHM O=C(NC[C@H]1CCN1C[C@H](O)c1ccccc1F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571255574 953350894 /nfs/dbraw/zinc/35/08/94/953350894.db2.gz QLUYPZSPXATPPN-WBMJQRKESA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001571255585 953350997 /nfs/dbraw/zinc/35/09/97/953350997.db2.gz QOGNNFYLRXRMNA-AAEUAGOBSA-N -1 3 385.407 0.946 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001571255585 953351003 /nfs/dbraw/zinc/35/10/03/953351003.db2.gz QOGNNFYLRXRMNA-AAEUAGOBSA-N 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COCC(=O)N1C[C@H](CNc2ncccc2-c2nn[n-]n2)[C@H](C(F)(F)F)C1 ZINC001571256258 953368818 /nfs/dbraw/zinc/36/88/18/953368818.db2.gz TZVPULNZXABIGY-GXSJLCMTSA-N -1 3 385.350 0.957 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CN1C1CC1 ZINC001589293382 953620878 /nfs/dbraw/zinc/62/08/78/953620878.db2.gz NFDPMVWVPFACEQ-MGPQQGTHSA-N -1 3 378.473 0.719 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001593681698 953961453 /nfs/dbraw/zinc/96/14/53/953961453.db2.gz KCHAZCUPBFASAY-AWEZNQCLSA-N -1 3 384.477 0.110 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC001593697500 954084994 /nfs/dbraw/zinc/08/49/94/954084994.db2.gz PODOUJNXKZDBHY-OAHLLOKOSA-N -1 3 379.432 0.692 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C ZINC001593699651 954100753 /nfs/dbraw/zinc/10/07/53/954100753.db2.gz QSMPRTHPNLHSNY-AWEZNQCLSA-N -1 3 381.433 0.676 20 0 GCADHM COc1ccc(S(N)(=O)=O)cc1NC(=O)CN(CC(=O)[O-])CC(C)(C)C 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YBMRTOIOHCAHRJ-AWEZNQCLSA-N -1 3 383.470 0.179 20 0 GCADHM O=C([O-])[C@H]1CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000819151750 955435836 /nfs/dbraw/zinc/43/58/36/955435836.db2.gz WJOMJAAXGWGKGX-INIZCTEOSA-N -1 3 375.425 0.182 20 0 GCADHM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1CN(C3CC3)C[C@H]1C)C[C@H]2C(=O)[O-] ZINC000898819084 956264223 /nfs/dbraw/zinc/26/42/23/956264223.db2.gz FTYAFAJGSDJJPL-PIAVLOHKSA-N -1 3 379.457 0.765 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)NCCN2CCC(C)(C)C2)C1 ZINC001589226500 956803410 /nfs/dbraw/zinc/80/34/10/956803410.db2.gz XQNWGZCWJPXZRC-LJQANCHMSA-N -1 3 399.488 0.925 20 0 GCADHM COCCN(C)S(=O)(=O)[C@H]1CCCN(CC2(O)CCC(C(=O)[O-])CC2)C1 ZINC001593995695 956892640 /nfs/dbraw/zinc/89/26/40/956892640.db2.gz PBPGFBJXWMSLEM-CKDBGZEDSA-N -1 3 392.518 0.365 20 0 GCADHM COCCN(C)CCN1C[C@H](NC(=O)/C=C/c2ccc(C(=O)[O-])o2)CC1=O ZINC001593995762 956895746 /nfs/dbraw/zinc/89/57/46/956895746.db2.gz SHUXYIIHXQTPNW-DIECRNLCSA-N -1 3 379.413 0.286 20 0 GCADHM COc1ccc(C(=O)N(CCN(C)C)CC(=O)[O-])cc1S(=O)(=O)NC1CC1 ZINC001319264610 957302047 /nfs/dbraw/zinc/30/20/47/957302047.db2.gz GCRAIOFNADALLD-UHFFFAOYSA-N -1 3 399.469 0.224 20 0 GCADHM CCN(CC)CC(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC001345781173 958054732 /nfs/dbraw/zinc/05/47/32/958054732.db2.gz PEJURVGWWXPEBI-UHFFFAOYSA-N -1 3 384.477 0.063 20 0 GCADHM COc1ccc([C@H](CN(C)C)NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc1 ZINC001594081218 958270070 /nfs/dbraw/zinc/27/00/70/958270070.db2.gz YLOONTDDKQUJRC-CVEARBPZSA-N -1 3 377.441 0.737 20 0 GCADHM COc1cccc(CN(CCN(C)C)C(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c1 ZINC001594128520 958650345 /nfs/dbraw/zinc/65/03/45/958650345.db2.gz UBWWSHVLQXKFFX-QGZVFWFLSA-N -1 3 391.468 0.909 20 0 GCADHM CC(=O)Nc1ccc(N2C[C@@H](C(=O)N(CCN(C)C)CC(=O)[O-])CC2=O)cc1 ZINC001588519825 958818980 /nfs/dbraw/zinc/81/89/80/958818980.db2.gz FPKLFNWSUUYNTQ-AWEZNQCLSA-N -1 3 390.440 0.473 20 0 GCADHM C[C@H](C(=O)N(CCN(C)C)CC(=O)[O-])[C@@H](O)CN(C)C(=O)OC(C)(C)C ZINC001588545097 958992636 /nfs/dbraw/zinc/99/26/36/958992636.db2.gz KLTPIJCFQVJXTP-STQMWFEESA-N -1 3 375.466 0.325 20 0 GCADHM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N[C@@H]2CCN(C3CC3)C2)C1=O ZINC001605749327 972400086 /nfs/dbraw/zinc/40/00/86/972400086.db2.gz JUABDHXDMCQLRY-HYVNUMGLSA-N -1 3 386.452 0.949 20 0 GCADHM CS[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H]1N1CCCC1 ZINC001594185379 959117970 /nfs/dbraw/zinc/11/79/70/959117970.db2.gz GVHFGTZAEUCEHS-ZIAGYGMSSA-N -1 3 377.532 0.539 20 0 GCADHM C[C@H](N[C@H]1CCN(CC(=O)[O-])C1=O)c1ccc(OCC(=O)NC2CC2)cc1 ZINC001573630899 959553439 /nfs/dbraw/zinc/55/34/39/959553439.db2.gz NBBKFUHENSYHAZ-LRDDRELGSA-N -1 3 375.425 0.680 20 0 GCADHM CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001573889057 961345834 /nfs/dbraw/zinc/34/58/34/961345834.db2.gz YLFQJZYMAALVKL-JKSUJKDBSA-N -1 3 397.520 0.025 20 0 GCADHM O=C([O-])[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000262676767 961802738 /nfs/dbraw/zinc/80/27/38/961802738.db2.gz UJGBAFDHIDNKSA-INIZCTEOSA-N -1 3 395.481 0.067 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)N1CCN(C)CC1 ZINC001517333770 962770240 /nfs/dbraw/zinc/77/02/40/962770240.db2.gz VMJMGTMMGSPYHZ-LAUBAEHRSA-N -1 3 388.512 0.858 20 0 GCADHM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1C[C@@H](C)N(C3CC3)C1)C[C@H]2C(=O)[O-] ZINC000898819488 969413609 /nfs/dbraw/zinc/41/36/09/969413609.db2.gz LXKLTBRSKBFVTF-QFHUYZEFSA-N -1 3 379.457 0.907 20 0 GCADHM O=C([O-])CN1CCC(NS(=O)(=O)c2cncc(Br)c2)CC1 ZINC001261844798 969690727 /nfs/dbraw/zinc/69/07/27/969690727.db2.gz BIJHHNRFPFAAJK-UHFFFAOYSA-N -1 3 378.248 0.671 20 0 GCADHM CO[C@H](C(=O)[O-])C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001339133541 969734881 /nfs/dbraw/zinc/73/48/81/969734881.db2.gz GXPKTMMXOAUURS-RDJZCZTQSA-N -1 3 376.457 0.542 20 0 GCADHM Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001604203226 972663611 /nfs/dbraw/zinc/66/36/11/972663611.db2.gz ONCIXLLPEPMSME-XHSDSOJGSA-N -1 3 391.472 0.037 20 0 GCADHM Cc1c(C(=O)N(CCN(C)C)CC(=O)[O-])cnn1CCO[C@@H]1CCCCO1 ZINC001605074692 972702740 /nfs/dbraw/zinc/70/27/40/972702740.db2.gz YYYIHIYWICVHGS-QGZVFWFLSA-N -1 3 382.461 0.823 20 0 GCADHM Cc1c(C(=O)N(CCN(C)C)CC(=O)[O-])cnn1CCO[C@H]1CCCCO1 ZINC001605074691 972703019 /nfs/dbraw/zinc/70/30/19/972703019.db2.gz YYYIHIYWICVHGS-KRWDZBQOSA-N -1 3 382.461 0.823 20 0 GCADHM C[C@H]1C[C@H](C(=O)[O-])CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001603367452 972865138 /nfs/dbraw/zinc/86/51/38/972865138.db2.gz CYSRKPQWAMSVCW-JSGCOSHPSA-N -1 3 383.470 0.035 20 0 GCADHM COC(=O)C1CC2(C1)CN(Cc1ccc(S(N)(=O)=O)cc1)C[C@@H]2C(=O)[O-] ZINC001604291563 972902070 /nfs/dbraw/zinc/90/20/70/972902070.db2.gz ISZIJBVSLNWFDG-KDJCLPLCSA-N -1 3 382.438 0.420 20 0 GCADHM COC(=O)C1CC2(C1)CN(CCn1cnc3ccccc3c1=O)C[C@H]2C(=O)[O-] ZINC001604292086 972908524 /nfs/dbraw/zinc/90/85/24/972908524.db2.gz LUOJHAZITISMRH-LXDLAPCHSA-N -1 3 385.420 0.982 20 0 GCADHM O=C([O-])[C@H]1CCCN(c2ccc(CNC[C@@]3(CO)COC[C@@H]4CCCN43)o2)C1 ZINC001605997830 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392.405 0.775 20 0 GCADHM COC[C@H](O)CCNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000442594038 531187870 /nfs/dbraw/zinc/18/78/70/531187870.db2.gz KXKOQCIZLJULSF-LLVKDONJSA-N -1 3 397.856 0.454 20 0 GCADHM CC1(O)CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000442607266 531188151 /nfs/dbraw/zinc/18/81/51/531188151.db2.gz HIBULNMBZBVOPF-UHFFFAOYSA-N -1 3 377.413 0.800 20 0 GCADHM C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1nc[nH]n1 ZINC000442605683 531188298 /nfs/dbraw/zinc/18/82/98/531188298.db2.gz YSFSYVGBUIDYPJ-QMMMGPOBSA-N -1 3 390.828 0.936 20 0 GCADHM C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1nnc[nH]1 ZINC000442605683 531188301 /nfs/dbraw/zinc/18/83/01/531188301.db2.gz YSFSYVGBUIDYPJ-QMMMGPOBSA-N -1 3 390.828 0.936 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1CCC(CO)CC1 ZINC000442601680 531188447 /nfs/dbraw/zinc/18/84/47/531188447.db2.gz FMCCTBUTYCHBNK-UHFFFAOYSA-N -1 3 377.413 0.657 20 0 GCADHM C[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)[C@H]1CO ZINC000442610354 531188479 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0.578 20 0 GCADHM O=C(OCCF)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738223921 598824363 /nfs/dbraw/zinc/82/43/63/598824363.db2.gz ZKSDCIRKCNSKIO-UHFFFAOYSA-N -1 3 383.405 0.780 20 0 GCADHM O=C(OCCF)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738223921 598824365 /nfs/dbraw/zinc/82/43/65/598824365.db2.gz ZKSDCIRKCNSKIO-UHFFFAOYSA-N -1 3 383.405 0.780 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)N(C)Cc1cnn(C)c1 ZINC000737521955 598826447 /nfs/dbraw/zinc/82/64/47/598826447.db2.gz LDLBGFANTPRJQI-UHFFFAOYSA-N -1 3 392.427 0.826 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)N(C)Cc1cnn(C)c1 ZINC000737521955 598826449 /nfs/dbraw/zinc/82/64/49/598826449.db2.gz LDLBGFANTPRJQI-UHFFFAOYSA-N -1 3 392.427 0.826 20 0 GCADHM Cn1ccnc1CN1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737616183 598832517 /nfs/dbraw/zinc/83/25/17/598832517.db2.gz ONACGIFNAOQWRF-UHFFFAOYSA-N -1 3 381.444 0.357 20 0 GCADHM Cn1ccnc1CN1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737616183 598832519 /nfs/dbraw/zinc/83/25/19/598832519.db2.gz ONACGIFNAOQWRF-UHFFFAOYSA-N -1 3 381.444 0.357 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735572151 598835548 /nfs/dbraw/zinc/83/55/48/598835548.db2.gz SEEKVKCXKSDDKG-BDAKNGLRSA-N -1 3 391.450 0.448 20 0 GCADHM C[C@H]([C@H](C)N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000735572106 598835772 /nfs/dbraw/zinc/83/57/72/598835772.db2.gz RJSXYCCSCWQAJK-WDEREUQCSA-N -1 3 387.487 0.450 20 0 GCADHM C[C@H]([C@H](C)N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000735572106 598835774 /nfs/dbraw/zinc/83/57/74/598835774.db2.gz RJSXYCCSCWQAJK-WDEREUQCSA-N -1 3 387.487 0.450 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735572103 598835852 /nfs/dbraw/zinc/83/58/52/598835852.db2.gz RJSXYCCSCWQAJK-GHMZBOCLSA-N -1 3 387.487 0.450 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735572103 598835853 /nfs/dbraw/zinc/83/58/53/598835853.db2.gz RJSXYCCSCWQAJK-GHMZBOCLSA-N -1 3 387.487 0.450 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736881165 598839175 /nfs/dbraw/zinc/83/91/75/598839175.db2.gz AEDSLIYVCKKENY-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736881165 598839176 /nfs/dbraw/zinc/83/91/76/598839176.db2.gz AEDSLIYVCKKENY-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736881635 598839196 /nfs/dbraw/zinc/83/91/96/598839196.db2.gz FYUBXURRPHEUSN-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736881635 598839197 /nfs/dbraw/zinc/83/91/97/598839197.db2.gz FYUBXURRPHEUSN-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM C[C@@]1(CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCOC1 ZINC000736217453 598840120 /nfs/dbraw/zinc/84/01/20/598840120.db2.gz VSEBSIIHIQOCML-SFHVURJKSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@]1(CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCOC1 ZINC000736217453 598840121 /nfs/dbraw/zinc/84/01/21/598840121.db2.gz VSEBSIIHIQOCML-SFHVURJKSA-N -1 3 386.460 0.956 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736885107 598840428 /nfs/dbraw/zinc/84/04/28/598840428.db2.gz XDVMRTPLFYVQIE-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736885107 598840430 /nfs/dbraw/zinc/84/04/30/598840430.db2.gz XDVMRTPLFYVQIE-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737770347 598841758 /nfs/dbraw/zinc/84/17/58/598841758.db2.gz UDZQGPGVXUITFU-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737770347 598841759 /nfs/dbraw/zinc/84/17/59/598841759.db2.gz UDZQGPGVXUITFU-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)OCCCN1C(=O)CNC1=O ZINC000737935828 598844169 /nfs/dbraw/zinc/84/41/69/598844169.db2.gz IOCOJXDTNYYIQE-UHFFFAOYSA-N -1 3 390.425 0.585 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)OCCCN1C(=O)CNC1=O ZINC000737935828 598844170 /nfs/dbraw/zinc/84/41/70/598844170.db2.gz IOCOJXDTNYYIQE-UHFFFAOYSA-N -1 3 390.425 0.585 20 0 GCADHM CN(CC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(=O)C1CC1 ZINC000736788544 598846086 /nfs/dbraw/zinc/84/60/86/598846086.db2.gz SRIJHLIRPKXRFT-CQSZACIVSA-N -1 3 384.396 0.384 20 0 GCADHM CN(CC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(=O)C1CC1 ZINC000736788544 598846087 /nfs/dbraw/zinc/84/60/87/598846087.db2.gz SRIJHLIRPKXRFT-CQSZACIVSA-N -1 3 384.396 0.384 20 0 GCADHM COC(=O)N[C@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)C(C)C ZINC000736936009 598846102 /nfs/dbraw/zinc/84/61/02/598846102.db2.gz MFLSODNZGPVUPK-LBPRGKRZSA-N -1 3 394.388 0.939 20 0 GCADHM COC(=O)N[C@@H](C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736937085 598846827 /nfs/dbraw/zinc/84/68/27/598846827.db2.gz UWOGAGXVAGTLFF-CYBMUJFWSA-N -1 3 376.373 0.729 20 0 GCADHM COC(=O)N[C@@H](C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736937085 598846829 /nfs/dbraw/zinc/84/68/29/598846829.db2.gz UWOGAGXVAGTLFF-CYBMUJFWSA-N -1 3 376.373 0.729 20 0 GCADHM C[C@H](OC(=O)COC[C@H]1CCCO1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736156497 598848828 /nfs/dbraw/zinc/84/88/28/598848828.db2.gz WUBCZDNNTVBZQE-NWDGAFQWSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@H](OC(=O)COC[C@H]1CCCO1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736156497 598848830 /nfs/dbraw/zinc/84/88/30/598848830.db2.gz WUBCZDNNTVBZQE-NWDGAFQWSA-N -1 3 375.385 0.933 20 0 GCADHM O=C(COC(=O)COC[C@H]1CCCO1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737903861 598849576 /nfs/dbraw/zinc/84/95/76/598849576.db2.gz DDTNOZSAKIDLDJ-CQSZACIVSA-N -1 3 375.385 0.222 20 0 GCADHM O=C(COC(=O)COC[C@H]1CCCO1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737903861 598849578 /nfs/dbraw/zinc/84/95/78/598849578.db2.gz DDTNOZSAKIDLDJ-CQSZACIVSA-N -1 3 375.385 0.222 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC000735571567 598851974 /nfs/dbraw/zinc/85/19/74/598851974.db2.gz FSDQPZGYPKVSTK-WDEREUQCSA-N -1 3 396.477 0.137 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)NCCNc1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC000735571567 598851975 /nfs/dbraw/zinc/85/19/75/598851975.db2.gz FSDQPZGYPKVSTK-WDEREUQCSA-N -1 3 396.477 0.137 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000737002608 598854743 /nfs/dbraw/zinc/85/47/43/598854743.db2.gz PBZDAFBTKVYIIC-LBPRGKRZSA-N -1 3 396.473 0.458 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000737002608 598854745 /nfs/dbraw/zinc/85/47/45/598854745.db2.gz PBZDAFBTKVYIIC-LBPRGKRZSA-N -1 3 396.473 0.458 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000737287661 598855769 /nfs/dbraw/zinc/85/57/69/598855769.db2.gz FWFAOHQKVPLEQL-QWRGUYRKSA-N -1 3 394.457 0.394 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000737287661 598855770 /nfs/dbraw/zinc/85/57/70/598855770.db2.gz FWFAOHQKVPLEQL-QWRGUYRKSA-N -1 3 394.457 0.394 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000736902261 598860041 /nfs/dbraw/zinc/86/00/41/598860041.db2.gz SEISAMLXHHEEOE-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000736902261 598860043 /nfs/dbraw/zinc/86/00/43/598860043.db2.gz SEISAMLXHHEEOE-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM COCC(=O)NC1CCN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736966102 598860151 /nfs/dbraw/zinc/86/01/51/598860151.db2.gz KNFFTUNTIHCPID-MRXNPFEDSA-N -1 3 388.428 0.308 20 0 GCADHM COCC(=O)NC1CCN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736966102 598860152 /nfs/dbraw/zinc/86/01/52/598860152.db2.gz KNFFTUNTIHCPID-MRXNPFEDSA-N -1 3 388.428 0.308 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NC[C@H]1CCCO1 ZINC000737826105 598861735 /nfs/dbraw/zinc/86/17/35/598861735.db2.gz PNURELFQCYANRJ-ZIAGYGMSSA-N -1 3 399.411 0.367 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NC[C@H]1CCCO1 ZINC000737826105 598861737 /nfs/dbraw/zinc/86/17/37/598861737.db2.gz PNURELFQCYANRJ-ZIAGYGMSSA-N -1 3 399.411 0.367 20 0 GCADHM CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736706579 598861796 /nfs/dbraw/zinc/86/17/96/598861796.db2.gz UIKLVSBDFTVIOE-XJKSGUPXSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736706579 598861799 /nfs/dbraw/zinc/86/17/99/598861799.db2.gz UIKLVSBDFTVIOE-XJKSGUPXSA-N -1 3 382.428 0.839 20 0 GCADHM CSCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737181133 598863348 /nfs/dbraw/zinc/86/33/48/598863348.db2.gz HNSCVWCOXPWODP-GFCCVEGCSA-N -1 3 389.441 0.551 20 0 GCADHM CSCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737181133 598863349 /nfs/dbraw/zinc/86/33/49/598863349.db2.gz HNSCVWCOXPWODP-GFCCVEGCSA-N -1 3 389.441 0.551 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736885197 598863468 /nfs/dbraw/zinc/86/34/68/598863468.db2.gz ZJTDGMFGJSPBMA-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736885197 598863469 /nfs/dbraw/zinc/86/34/69/598863469.db2.gz ZJTDGMFGJSPBMA-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM COC[C@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000736974139 598865220 /nfs/dbraw/zinc/86/52/20/598865220.db2.gz XKRHMPDJOZTBOQ-ZDUSSCGKSA-N -1 3 382.428 0.959 20 0 GCADHM C[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736279568 598866421 /nfs/dbraw/zinc/86/64/21/598866421.db2.gz ZAHVORQTCFTGDO-SMDDNHRTSA-N -1 3 383.412 0.940 20 0 GCADHM C[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736279568 598866422 /nfs/dbraw/zinc/86/64/22/598866422.db2.gz ZAHVORQTCFTGDO-SMDDNHRTSA-N -1 3 383.412 0.940 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)Nc1ccncc1 ZINC000737825625 598867619 /nfs/dbraw/zinc/86/76/19/598867619.db2.gz MXCULCWTDZPKIE-CQSZACIVSA-N -1 3 392.379 0.527 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)Nc1ccncc1 ZINC000737825625 598867621 /nfs/dbraw/zinc/86/76/21/598867621.db2.gz MXCULCWTDZPKIE-CQSZACIVSA-N -1 3 392.379 0.527 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000737272741 598868586 /nfs/dbraw/zinc/86/85/86/598868586.db2.gz YQCBTHDFTZUHMG-UHFFFAOYSA-N -1 3 395.376 0.561 20 0 GCADHM Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000737272741 598868588 /nfs/dbraw/zinc/86/85/88/598868588.db2.gz YQCBTHDFTZUHMG-UHFFFAOYSA-N -1 3 395.376 0.561 20 0 GCADHM NC(=O)C1(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCCC1 ZINC000737737421 598868984 /nfs/dbraw/zinc/86/89/84/598868984.db2.gz CSSCQEVBEQDNMJ-UHFFFAOYSA-N -1 3 381.400 0.163 20 0 GCADHM NC(=O)C1(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCCC1 ZINC000737737421 598868985 /nfs/dbraw/zinc/86/89/85/598868985.db2.gz CSSCQEVBEQDNMJ-UHFFFAOYSA-N -1 3 381.400 0.163 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000738023866 598869801 /nfs/dbraw/zinc/86/98/01/598869801.db2.gz WHCYPZJNSLDIOR-GFCCVEGCSA-N -1 3 380.405 0.438 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000738023866 598869803 /nfs/dbraw/zinc/86/98/03/598869803.db2.gz WHCYPZJNSLDIOR-GFCCVEGCSA-N -1 3 380.405 0.438 20 0 GCADHM CNC(=O)c1cccc(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000736882546 598871778 /nfs/dbraw/zinc/87/17/78/598871778.db2.gz QPORJKRSWVUDFI-UHFFFAOYSA-N -1 3 378.440 0.944 20 0 GCADHM CNC(=O)c1cccc(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000736882546 598871780 /nfs/dbraw/zinc/87/17/80/598871780.db2.gz QPORJKRSWVUDFI-UHFFFAOYSA-N -1 3 378.440 0.944 20 0 GCADHM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736507921 598874278 /nfs/dbraw/zinc/87/42/78/598874278.db2.gz GVVSGMZXQLZOSJ-VIFPVBQESA-N -1 3 391.450 0.450 20 0 GCADHM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736507921 598874279 /nfs/dbraw/zinc/87/42/79/598874279.db2.gz GVVSGMZXQLZOSJ-VIFPVBQESA-N -1 3 391.450 0.450 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CCN1CCOC ZINC000736406147 598875365 /nfs/dbraw/zinc/87/53/65/598875365.db2.gz JNIRBRIXAVLGIB-ZDUSSCGKSA-N -1 3 398.464 0.737 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCN1CCOC ZINC000736406147 598875366 /nfs/dbraw/zinc/87/53/66/598875366.db2.gz JNIRBRIXAVLGIB-ZDUSSCGKSA-N -1 3 398.464 0.737 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC000736623363 598875746 /nfs/dbraw/zinc/87/57/46/598875746.db2.gz FJOLLLDSWFMKBM-LBPRGKRZSA-N -1 3 398.464 0.737 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC000736623363 598875748 /nfs/dbraw/zinc/87/57/48/598875748.db2.gz FJOLLLDSWFMKBM-LBPRGKRZSA-N -1 3 398.464 0.737 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736227334 598875805 /nfs/dbraw/zinc/87/58/05/598875805.db2.gz CCPYLPIRLKIZNL-BDAKNGLRSA-N -1 3 389.434 0.202 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736227334 598875807 /nfs/dbraw/zinc/87/58/07/598875807.db2.gz CCPYLPIRLKIZNL-BDAKNGLRSA-N -1 3 389.434 0.202 20 0 GCADHM CC(=O)[C@@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735458445 598877294 /nfs/dbraw/zinc/87/72/94/598877294.db2.gz NLVNATBXLYOSDM-ZWNOBZJWSA-N -1 3 386.368 0.592 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)OCc1ccno1 ZINC000737823826 598878862 /nfs/dbraw/zinc/87/88/62/598878862.db2.gz BJLVLXYXUKGOFL-ZDUSSCGKSA-N -1 3 397.351 0.803 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCc1ccno1 ZINC000737823826 598878864 /nfs/dbraw/zinc/87/88/64/598878864.db2.gz BJLVLXYXUKGOFL-ZDUSSCGKSA-N -1 3 397.351 0.803 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc2c(c1)CC(=O)N2 ZINC000737888412 598878881 /nfs/dbraw/zinc/87/88/81/598878881.db2.gz BWDGHUNQGIZKGE-UHFFFAOYSA-N -1 3 377.364 0.730 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(c1)CC(=O)N2 ZINC000737888412 598878883 /nfs/dbraw/zinc/87/88/83/598878883.db2.gz BWDGHUNQGIZKGE-UHFFFAOYSA-N -1 3 377.364 0.730 20 0 GCADHM CC(=O)[C@@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735458445 598877296 /nfs/dbraw/zinc/87/72/96/598877296.db2.gz NLVNATBXLYOSDM-ZWNOBZJWSA-N -1 3 386.368 0.592 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)O[C@H]1CCOC1 ZINC000737825661 598882130 /nfs/dbraw/zinc/88/21/30/598882130.db2.gz NNDQBBUNMLWFBX-STQMWFEESA-N -1 3 386.368 0.404 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)O[C@H]1CCOC1 ZINC000737825661 598882133 /nfs/dbraw/zinc/88/21/33/598882133.db2.gz NNDQBBUNMLWFBX-STQMWFEESA-N -1 3 386.368 0.404 20 0 GCADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCC(=O)N1CCOCC1 ZINC000736037054 598884264 /nfs/dbraw/zinc/88/42/64/598884264.db2.gz JABXQCAESOWDCE-ZDUSSCGKSA-N -1 3 389.412 0.816 20 0 GCADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCC(=O)N1CCOCC1 ZINC000736037054 598884265 /nfs/dbraw/zinc/88/42/65/598884265.db2.gz JABXQCAESOWDCE-ZDUSSCGKSA-N -1 3 389.412 0.816 20 0 GCADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCC(=O)N1CCOCC1 ZINC000736037052 598884507 /nfs/dbraw/zinc/88/45/07/598884507.db2.gz JABXQCAESOWDCE-CYBMUJFWSA-N -1 3 389.412 0.816 20 0 GCADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCC(=O)N1CCOCC1 ZINC000736037052 598884509 /nfs/dbraw/zinc/88/45/09/598884509.db2.gz JABXQCAESOWDCE-CYBMUJFWSA-N -1 3 389.412 0.816 20 0 GCADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CN1CCCS1(=O)=O ZINC000736037165 598885423 /nfs/dbraw/zinc/88/54/23/598885423.db2.gz JVKWPDZRWLLVNH-LLVKDONJSA-N -1 3 381.414 0.213 20 0 GCADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CN1CCCS1(=O)=O ZINC000736037165 598885424 /nfs/dbraw/zinc/88/54/24/598885424.db2.gz JVKWPDZRWLLVNH-LLVKDONJSA-N -1 3 381.414 0.213 20 0 GCADHM COC(=O)[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894160 598885684 /nfs/dbraw/zinc/88/56/84/598885684.db2.gz GCHDXUIUNIERCL-LSDHHAIUSA-N -1 3 396.411 0.209 20 0 GCADHM COC(=O)[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894160 598885686 /nfs/dbraw/zinc/88/56/86/598885686.db2.gz GCHDXUIUNIERCL-LSDHHAIUSA-N -1 3 396.411 0.209 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)Nc1nncs1 ZINC000737871895 598893741 /nfs/dbraw/zinc/89/37/41/598893741.db2.gz CYWWNEFOSZOKKX-UHFFFAOYSA-N -1 3 399.440 0.115 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1)Nc1nncs1 ZINC000737871895 598893743 /nfs/dbraw/zinc/89/37/43/598893743.db2.gz CYWWNEFOSZOKKX-UHFFFAOYSA-N -1 3 399.440 0.115 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000737032181 598894888 /nfs/dbraw/zinc/89/48/88/598894888.db2.gz FDHDPHWGDOPHFC-LBPRGKRZSA-N -1 3 389.416 0.304 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000737032181 598894890 /nfs/dbraw/zinc/89/48/90/598894890.db2.gz FDHDPHWGDOPHFC-LBPRGKRZSA-N -1 3 389.416 0.304 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737764322 598895039 /nfs/dbraw/zinc/89/50/39/598895039.db2.gz LDZYKAJASMGZOP-LLVKDONJSA-N -1 3 382.471 0.238 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737764322 598895040 /nfs/dbraw/zinc/89/50/40/598895040.db2.gz LDZYKAJASMGZOP-LLVKDONJSA-N -1 3 382.471 0.238 20 0 GCADHM COC(=O)[C@H](OC(=O)c1cnn2cccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901077 598895344 /nfs/dbraw/zinc/89/53/44/598895344.db2.gz IAHHICRFFHXELT-CYBMUJFWSA-N -1 3 379.336 0.981 20 0 GCADHM COC(=O)[C@H](OC(=O)c1cnn2cccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901077 598895345 /nfs/dbraw/zinc/89/53/45/598895345.db2.gz IAHHICRFFHXELT-CYBMUJFWSA-N -1 3 379.336 0.981 20 0 GCADHM Cc1nc(CN2CCN([C@@H](C)C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)no1 ZINC000737477120 598897823 /nfs/dbraw/zinc/89/78/23/598897823.db2.gz JUHDVYVLFCOXNU-LBPRGKRZSA-N -1 3 397.443 0.703 20 0 GCADHM Cc1nc(CN2CCN([C@@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)no1 ZINC000737477120 598897824 /nfs/dbraw/zinc/89/78/24/598897824.db2.gz JUHDVYVLFCOXNU-LBPRGKRZSA-N -1 3 397.443 0.703 20 0 GCADHM COC(=O)[C@H](OC(=O)CS(=O)(=O)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899494 598897961 /nfs/dbraw/zinc/89/79/61/598897961.db2.gz NHGLJUVPSDJXSF-CYBMUJFWSA-N -1 3 382.398 0.447 20 0 GCADHM COC(=O)[C@H](OC(=O)CS(=O)(=O)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899494 598897963 /nfs/dbraw/zinc/89/79/63/598897963.db2.gz NHGLJUVPSDJXSF-CYBMUJFWSA-N -1 3 382.398 0.447 20 0 GCADHM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[C@H](O)C2)c1-c1nnn[n-]1 ZINC000737203698 598898209 /nfs/dbraw/zinc/89/82/09/598898209.db2.gz VPBXZQNJZWWEBE-ZDUSSCGKSA-N -1 3 385.428 0.931 20 0 GCADHM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[C@H](O)C2)c1-c1nn[n-]n1 ZINC000737203698 598898211 /nfs/dbraw/zinc/89/82/11/598898211.db2.gz VPBXZQNJZWWEBE-ZDUSSCGKSA-N -1 3 385.428 0.931 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1ccc(C(N)=O)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899536 598899493 /nfs/dbraw/zinc/89/94/93/598899493.db2.gz NXZWWDMPTPMESM-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1ccc(C(N)=O)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899536 598899495 /nfs/dbraw/zinc/89/94/95/598899495.db2.gz NXZWWDMPTPMESM-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CSCN1C(C)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899891 598901149 /nfs/dbraw/zinc/90/11/49/598901149.db2.gz VZDHBRPZFOAIHL-OLZOCXBDSA-N -1 3 391.409 0.545 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CSCN1C(C)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899891 598901152 /nfs/dbraw/zinc/90/11/52/598901152.db2.gz VZDHBRPZFOAIHL-OLZOCXBDSA-N -1 3 391.409 0.545 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CSCN1C(C)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899895 598901374 /nfs/dbraw/zinc/90/13/74/598901374.db2.gz VZDHBRPZFOAIHL-STQMWFEESA-N -1 3 391.409 0.545 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CSCN1C(C)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899895 598901375 /nfs/dbraw/zinc/90/13/75/598901375.db2.gz VZDHBRPZFOAIHL-STQMWFEESA-N -1 3 391.409 0.545 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1ccccn1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736154769 598901634 /nfs/dbraw/zinc/90/16/34/598901634.db2.gz BVMMZAPDOGVZLD-NSHDSACASA-N -1 3 395.379 0.562 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1ccccn1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736154769 598901635 /nfs/dbraw/zinc/90/16/35/598901635.db2.gz BVMMZAPDOGVZLD-NSHDSACASA-N -1 3 395.379 0.562 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900497 598902315 /nfs/dbraw/zinc/90/23/15/598902315.db2.gz SAEQBYBFXMHZSR-OAHLLOKOSA-N -1 3 396.363 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900497 598902316 /nfs/dbraw/zinc/90/23/16/598902316.db2.gz SAEQBYBFXMHZSR-OAHLLOKOSA-N -1 3 396.363 0.449 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)no1 ZINC000736674737 598908240 /nfs/dbraw/zinc/90/82/40/598908240.db2.gz HDIZVARLLDTKBS-UHFFFAOYSA-N -1 3 397.399 0.099 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)no1 ZINC000736674737 598908242 /nfs/dbraw/zinc/90/82/42/598908242.db2.gz HDIZVARLLDTKBS-UHFFFAOYSA-N -1 3 397.399 0.099 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCn3ccnc3C2)cc1 ZINC000737775902 598910672 /nfs/dbraw/zinc/91/06/72/598910672.db2.gz IEOYALSLJVXJAJ-UHFFFAOYSA-N -1 3 376.384 0.487 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCn3ccnc3C2)cc1 ZINC000737775902 598910673 /nfs/dbraw/zinc/91/06/73/598910673.db2.gz IEOYALSLJVXJAJ-UHFFFAOYSA-N -1 3 376.384 0.487 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCN(C(N)=O)C2)c1-c1nnn[n-]1 ZINC000737190070 598911503 /nfs/dbraw/zinc/91/15/03/598911503.db2.gz UDYSSTUMYIPEKH-VIFPVBQESA-N -1 3 388.457 0.744 20 0 GCADHM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819981413 599371495 /nfs/dbraw/zinc/37/14/95/599371495.db2.gz UXHNMBVTLOQOIR-UHFFFAOYSA-N -1 3 391.450 0.497 20 0 GCADHM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819981413 599371497 /nfs/dbraw/zinc/37/14/97/599371497.db2.gz UXHNMBVTLOQOIR-UHFFFAOYSA-N -1 3 391.450 0.497 20 0 GCADHM Nc1nc(Cl)ccc1C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737776976 598922415 /nfs/dbraw/zinc/92/24/15/598922415.db2.gz UUXJAMVFUQYWOR-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Nc1nc(Cl)ccc1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737776976 598922417 /nfs/dbraw/zinc/92/24/17/598922417.db2.gz UUXJAMVFUQYWOR-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Cc1nc(NC(=O)CCOC[C@@H]2CCCO2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480915 598924265 /nfs/dbraw/zinc/92/42/65/598924265.db2.gz SPKDADFFWKOMLX-HNNXBMFYSA-N -1 3 398.427 0.702 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736590964 598929581 /nfs/dbraw/zinc/92/95/81/598929581.db2.gz MYCIZIYZUIOBEW-UHFFFAOYSA-N -1 3 391.453 0.875 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736590964 598929583 /nfs/dbraw/zinc/92/95/83/598929583.db2.gz MYCIZIYZUIOBEW-UHFFFAOYSA-N -1 3 391.453 0.875 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736590829 598929903 /nfs/dbraw/zinc/92/99/03/598929903.db2.gz LSWRBORHPMKUIZ-UHFFFAOYSA-N -1 3 375.385 0.162 20 0 GCADHM CC(C)n1ccc(CC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000735961962 598931489 /nfs/dbraw/zinc/93/14/89/598931489.db2.gz YHJOIGQPDZPJED-UHFFFAOYSA-N -1 3 381.444 0.930 20 0 GCADHM CC(C)n1ccc(CC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000735961962 598931490 /nfs/dbraw/zinc/93/14/90/598931490.db2.gz YHJOIGQPDZPJED-UHFFFAOYSA-N -1 3 381.444 0.930 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCCOC[C@H]1CCOC1 ZINC000737022939 598941450 /nfs/dbraw/zinc/94/14/50/598941450.db2.gz FXAOCMMUFWJFES-CYBMUJFWSA-N -1 3 391.428 0.814 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCCOC[C@H]1CCOC1 ZINC000737022939 598941452 /nfs/dbraw/zinc/94/14/52/598941452.db2.gz FXAOCMMUFWJFES-CYBMUJFWSA-N -1 3 391.428 0.814 20 0 GCADHM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@@H]2CCCN2Cc2ccccc2)n(C)c1=O ZINC000737598032 598945136 /nfs/dbraw/zinc/94/51/36/598945136.db2.gz WEMNRYPITCYXRF-AWEZNQCLSA-N -1 3 396.455 0.341 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736790419 598946088 /nfs/dbraw/zinc/94/60/88/598946088.db2.gz HVHOSNBLDHRKOM-LLVKDONJSA-N -1 3 381.483 0.852 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736790419 598946089 /nfs/dbraw/zinc/94/60/89/598946089.db2.gz HVHOSNBLDHRKOM-LLVKDONJSA-N -1 3 381.483 0.852 20 0 GCADHM CN1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1=O ZINC000736857315 598950191 /nfs/dbraw/zinc/95/01/91/598950191.db2.gz QHKOIBQBXGICAK-UHFFFAOYSA-N -1 3 382.380 0.953 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000737299254 598950338 /nfs/dbraw/zinc/95/03/38/598950338.db2.gz WGUZTQVVTYBSJK-OAHLLOKOSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000737299254 598950339 /nfs/dbraw/zinc/95/03/39/598950339.db2.gz WGUZTQVVTYBSJK-OAHLLOKOSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000737298405 598950488 /nfs/dbraw/zinc/95/04/88/598950488.db2.gz JQYFDIZZLRXGGT-HNNXBMFYSA-N -1 3 398.448 0.776 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000737298405 598950489 /nfs/dbraw/zinc/95/04/89/598950489.db2.gz JQYFDIZZLRXGGT-HNNXBMFYSA-N -1 3 398.448 0.776 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)cc1 ZINC000737777284 598953315 /nfs/dbraw/zinc/95/33/15/598953315.db2.gz SOXSDYYHOOTORR-DOMZBBRYSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2O)cc1 ZINC000737777284 598953317 /nfs/dbraw/zinc/95/33/17/598953317.db2.gz SOXSDYYHOOTORR-DOMZBBRYSA-N -1 3 382.428 0.916 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000737297937 598954809 /nfs/dbraw/zinc/95/48/09/598954809.db2.gz GMOGAHHGMUQTPF-QGZVFWFLSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@](C)(C(N)=O)c1ccccc1 ZINC000737297937 598954811 /nfs/dbraw/zinc/95/48/11/598954811.db2.gz GMOGAHHGMUQTPF-QGZVFWFLSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000737295914 598954925 /nfs/dbraw/zinc/95/49/25/598954925.db2.gz ANJVQOBCXPTVJB-ZDUSSCGKSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000737295914 598954926 /nfs/dbraw/zinc/95/49/26/598954926.db2.gz ANJVQOBCXPTVJB-ZDUSSCGKSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000737299499 598955404 /nfs/dbraw/zinc/95/54/04/598955404.db2.gz QQGOTDIPBLNCBU-LLVKDONJSA-N -1 3 390.425 0.751 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000737299499 598955406 /nfs/dbraw/zinc/95/54/06/598955406.db2.gz QQGOTDIPBLNCBU-LLVKDONJSA-N -1 3 390.425 0.751 20 0 GCADHM COC(=O)N1CCC[C@H](NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000736937500 598956304 /nfs/dbraw/zinc/95/63/04/598956304.db2.gz VUYXNIFAQBDMFS-LBPRGKRZSA-N -1 3 380.430 0.684 20 0 GCADHM COC(=O)N1CCC[C@H](NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000736937500 598956306 /nfs/dbraw/zinc/95/63/06/598956306.db2.gz VUYXNIFAQBDMFS-LBPRGKRZSA-N -1 3 380.430 0.684 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C ZINC000737300474 598956393 /nfs/dbraw/zinc/95/63/93/598956393.db2.gz YWNFROWVUYZEHD-NSHDSACASA-N -1 3 382.471 0.327 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CSC[C@H]1C(=O)N(C)C ZINC000737300474 598956394 /nfs/dbraw/zinc/95/63/94/598956394.db2.gz YWNFROWVUYZEHD-NSHDSACASA-N -1 3 382.471 0.327 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000737300046 598956805 /nfs/dbraw/zinc/95/68/05/598956805.db2.gz VDKCEWSGCGYEDF-STQMWFEESA-N -1 3 380.474 0.563 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000737300046 598956809 /nfs/dbraw/zinc/95/68/09/598956809.db2.gz VDKCEWSGCGYEDF-STQMWFEESA-N -1 3 380.474 0.563 20 0 GCADHM CC(C)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1=O ZINC000735881260 598958867 /nfs/dbraw/zinc/95/88/67/598958867.db2.gz IHAUEHKRIYBEEU-GFCCVEGCSA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1=O ZINC000735881260 598958869 /nfs/dbraw/zinc/95/88/69/598958869.db2.gz IHAUEHKRIYBEEU-GFCCVEGCSA-N -1 3 384.849 0.808 20 0 GCADHM COC(=O)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736912712 598959771 /nfs/dbraw/zinc/95/97/71/598959771.db2.gz GADGSWNPTDNCSR-ZDUSSCGKSA-N -1 3 395.441 0.600 20 0 GCADHM COC(=O)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736912712 598959772 /nfs/dbraw/zinc/95/97/72/598959772.db2.gz GADGSWNPTDNCSR-ZDUSSCGKSA-N -1 3 395.441 0.600 20 0 GCADHM COC(=O)CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736912710 598959862 /nfs/dbraw/zinc/95/98/62/598959862.db2.gz GADGSWNPTDNCSR-CYBMUJFWSA-N -1 3 395.441 0.600 20 0 GCADHM COC(=O)CCN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736912710 598959863 /nfs/dbraw/zinc/95/98/63/598959863.db2.gz GADGSWNPTDNCSR-CYBMUJFWSA-N -1 3 395.441 0.600 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736748728 598959876 /nfs/dbraw/zinc/95/98/76/598959876.db2.gz WSSMGIKDQPXDDG-QWRGUYRKSA-N -1 3 396.448 0.931 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736748728 598959877 /nfs/dbraw/zinc/95/98/77/598959877.db2.gz WSSMGIKDQPXDDG-QWRGUYRKSA-N -1 3 396.448 0.931 20 0 GCADHM c1cn(-c2cc(N3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)ncn2)cn1 ZINC000738445272 598962820 /nfs/dbraw/zinc/96/28/20/598962820.db2.gz DXXPXTINLBXSAC-UHFFFAOYSA-N -1 3 375.400 0.564 20 0 GCADHM c1cn(-c2cc(N3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)ncn2)cn1 ZINC000738445272 598962822 /nfs/dbraw/zinc/96/28/22/598962822.db2.gz DXXPXTINLBXSAC-UHFFFAOYSA-N -1 3 375.400 0.564 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1=O ZINC000735875320 598967459 /nfs/dbraw/zinc/96/74/59/598967459.db2.gz MLCGVRHNIIJXMH-GFCCVEGCSA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1=O ZINC000735875320 598967460 /nfs/dbraw/zinc/96/74/60/598967460.db2.gz MLCGVRHNIIJXMH-GFCCVEGCSA-N -1 3 391.819 0.584 20 0 GCADHM CN1CCN(C[C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCO2)CC1 ZINC000736863021 598967303 /nfs/dbraw/zinc/96/73/03/598967303.db2.gz HCQJAIBKNQVLNO-CQSZACIVSA-N -1 3 395.471 0.263 20 0 GCADHM CN(C)C(=O)COc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736747660 598962946 /nfs/dbraw/zinc/96/29/46/598962946.db2.gz UTEMGCBMGFIKII-LBPRGKRZSA-N -1 3 397.443 0.684 20 0 GCADHM CN(C)C(=O)COc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736747660 598962948 /nfs/dbraw/zinc/96/29/48/598962948.db2.gz UTEMGCBMGFIKII-LBPRGKRZSA-N -1 3 397.443 0.684 20 0 GCADHM CS(=O)(=O)Cc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737163122 598963553 /nfs/dbraw/zinc/96/35/53/598963553.db2.gz SSHGBXWMQBGSLT-GFCCVEGCSA-N -1 3 388.457 0.762 20 0 GCADHM CS(=O)(=O)Cc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737163122 598963555 /nfs/dbraw/zinc/96/35/55/598963555.db2.gz SSHGBXWMQBGSLT-GFCCVEGCSA-N -1 3 388.457 0.762 20 0 GCADHM Cn1c2ccc(NC[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2n(C)c1=O ZINC000737591672 598963733 /nfs/dbraw/zinc/96/37/33/598963733.db2.gz WMENZAXGPUQFKU-SNVBAGLBSA-N -1 3 380.416 0.407 20 0 GCADHM Cn1c2ccc(NC[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2n(C)c1=O ZINC000737591672 598963735 /nfs/dbraw/zinc/96/37/35/598963735.db2.gz WMENZAXGPUQFKU-SNVBAGLBSA-N -1 3 380.416 0.407 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@H](CO)C1CC1 ZINC000738140442 598968855 /nfs/dbraw/zinc/96/88/55/598968855.db2.gz VEEZOPSWEUEXCE-SNVBAGLBSA-N -1 3 382.327 0.294 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@H](CO)C1CC1 ZINC000738140442 598968858 /nfs/dbraw/zinc/96/88/58/598968858.db2.gz VEEZOPSWEUEXCE-SNVBAGLBSA-N -1 3 382.327 0.294 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)CC2 ZINC000736705788 598970212 /nfs/dbraw/zinc/97/02/12/598970212.db2.gz NXRCYXRWVOGLSF-NEPJUHHUSA-N -1 3 382.428 0.919 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)CC2 ZINC000736705788 598970213 /nfs/dbraw/zinc/97/02/13/598970213.db2.gz NXRCYXRWVOGLSF-NEPJUHHUSA-N -1 3 382.428 0.919 20 0 GCADHM CN(Cc1nnc2ccccn21)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736831079 598973663 /nfs/dbraw/zinc/97/36/63/598973663.db2.gz SWFGIHUUSMPMIL-UHFFFAOYSA-N -1 3 393.415 0.558 20 0 GCADHM CN(Cc1nnc2ccccn21)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736831079 598973664 /nfs/dbraw/zinc/97/36/64/598973664.db2.gz SWFGIHUUSMPMIL-UHFFFAOYSA-N -1 3 393.415 0.558 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C(=O)N[C@@H](CCSC)C1=O ZINC000737033724 598978231 /nfs/dbraw/zinc/97/82/31/598978231.db2.gz YNGYXTRUGYPFTE-NSHDSACASA-N -1 3 392.441 0.928 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1C(=O)N[C@@H](CCSC)C1=O ZINC000737033724 598978233 /nfs/dbraw/zinc/97/82/33/598978233.db2.gz YNGYXTRUGYPFTE-NSHDSACASA-N -1 3 392.441 0.928 20 0 GCADHM O=C(COc1cccc(C(=O)NCCO)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737925655 598979725 /nfs/dbraw/zinc/97/97/25/598979725.db2.gz WOVPCLOUZQBTMK-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM O=C(COc1cccc(C(=O)NCCO)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737925655 598979727 /nfs/dbraw/zinc/97/97/27/598979727.db2.gz WOVPCLOUZQBTMK-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000737033549 598988067 /nfs/dbraw/zinc/98/80/67/598988067.db2.gz WRHDJZGCAUXXTC-VXGBXAGGSA-N -1 3 381.458 0.762 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000737033549 598988069 /nfs/dbraw/zinc/98/80/69/598988069.db2.gz WRHDJZGCAUXXTC-VXGBXAGGSA-N -1 3 381.458 0.762 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CN1CCN(C)C(=O)C1 ZINC000735832182 598988331 /nfs/dbraw/zinc/98/83/31/598988331.db2.gz XDKOPUNXFHUUSE-UHFFFAOYSA-N -1 3 385.472 0.625 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CN1CCN(C)C(=O)C1 ZINC000735832182 598988332 /nfs/dbraw/zinc/98/83/32/598988332.db2.gz XDKOPUNXFHUUSE-UHFFFAOYSA-N -1 3 385.472 0.625 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCN(C)C(=O)C1 ZINC000735571433 598989042 /nfs/dbraw/zinc/98/90/42/598989042.db2.gz XDRMSZSEGIQZKU-VIFPVBQESA-N -1 3 375.458 0.518 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCN(C)C(=O)C1 ZINC000735571433 598989043 /nfs/dbraw/zinc/98/90/43/598989043.db2.gz XDRMSZSEGIQZKU-VIFPVBQESA-N -1 3 375.458 0.518 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000735562072 598991997 /nfs/dbraw/zinc/99/19/97/598991997.db2.gz NDTCOVBJMKYIFP-VXGBXAGGSA-N -1 3 378.458 0.560 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000735562072 598991999 /nfs/dbraw/zinc/99/19/99/598991999.db2.gz NDTCOVBJMKYIFP-VXGBXAGGSA-N -1 3 378.458 0.560 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000737032247 598993732 /nfs/dbraw/zinc/99/37/32/598993732.db2.gz GWMSFTMUHSQADR-GFCCVEGCSA-N -1 3 381.458 0.621 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000736872177 599002018 /nfs/dbraw/zinc/00/20/18/599002018.db2.gz ZYBVEAKGXOPTIJ-UHFFFAOYSA-N -1 3 378.458 0.758 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000736872177 599002019 /nfs/dbraw/zinc/00/20/19/599002019.db2.gz ZYBVEAKGXOPTIJ-UHFFFAOYSA-N -1 3 378.458 0.758 20 0 GCADHM COCCN1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000737007343 599003205 /nfs/dbraw/zinc/00/32/05/599003205.db2.gz MATUBNRCTQNBKT-AWEZNQCLSA-N -1 3 380.474 0.564 20 0 GCADHM COCCN1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000737007343 599003207 /nfs/dbraw/zinc/00/32/07/599003207.db2.gz MATUBNRCTQNBKT-AWEZNQCLSA-N -1 3 380.474 0.564 20 0 GCADHM COC(=O)C[C@H]1CSCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736913078 599006597 /nfs/dbraw/zinc/00/65/97/599006597.db2.gz XRHQRQVLWDVZMQ-LBPRGKRZSA-N -1 3 397.482 0.844 20 0 GCADHM COC(=O)C[C@H]1CSCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736913078 599006599 /nfs/dbraw/zinc/00/65/99/599006599.db2.gz XRHQRQVLWDVZMQ-LBPRGKRZSA-N -1 3 397.482 0.844 20 0 GCADHM O=S(=O)(NCCCOC[C@H]1CCOC1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738339671 599009077 /nfs/dbraw/zinc/00/90/77/599009077.db2.gz UOQAPJLCQSLHOE-LLVKDONJSA-N -1 3 385.421 0.727 20 0 GCADHM O=S(=O)(NCCCOC[C@H]1CCOC1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738339671 599009079 /nfs/dbraw/zinc/00/90/79/599009079.db2.gz UOQAPJLCQSLHOE-LLVKDONJSA-N -1 3 385.421 0.727 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737163388 599010059 /nfs/dbraw/zinc/01/00/59/599010059.db2.gz WNRKAXJJYLGPRL-RYUDHWBXSA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737163388 599010060 /nfs/dbraw/zinc/01/00/60/599010060.db2.gz WNRKAXJJYLGPRL-RYUDHWBXSA-N -1 3 385.471 0.501 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000737224201 599010438 /nfs/dbraw/zinc/01/04/38/599010438.db2.gz ORBFYYUZNDLQKD-QWHCGFSZSA-N -1 3 399.498 0.809 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000737224201 599010440 /nfs/dbraw/zinc/01/04/40/599010440.db2.gz ORBFYYUZNDLQKD-QWHCGFSZSA-N -1 3 399.498 0.809 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000737298962 599010500 /nfs/dbraw/zinc/01/05/00/599010500.db2.gz UPQRUBGMQQCKMJ-CHWSQXEVSA-N -1 3 399.498 0.809 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000737298962 599010502 /nfs/dbraw/zinc/01/05/02/599010502.db2.gz UPQRUBGMQQCKMJ-CHWSQXEVSA-N -1 3 399.498 0.809 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000737298966 599010573 /nfs/dbraw/zinc/01/05/73/599010573.db2.gz UPQRUBGMQQCKMJ-QWHCGFSZSA-N -1 3 399.498 0.809 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000737298966 599010575 /nfs/dbraw/zinc/01/05/75/599010575.db2.gz UPQRUBGMQQCKMJ-QWHCGFSZSA-N -1 3 399.498 0.809 20 0 GCADHM O=C(NCCCOC[C@@H]1CCOC1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000738076994 599014689 /nfs/dbraw/zinc/01/46/89/599014689.db2.gz YKAPADDFVGTTEV-ZDUSSCGKSA-N -1 3 390.448 0.416 20 0 GCADHM O=C(NCCCOC[C@@H]1CCOC1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000738076994 599014691 /nfs/dbraw/zinc/01/46/91/599014691.db2.gz YKAPADDFVGTTEV-ZDUSSCGKSA-N -1 3 390.448 0.416 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1Cc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737637 599013018 /nfs/dbraw/zinc/01/30/18/599013018.db2.gz BOSOOXWCHPHYGI-LBPRGKRZSA-N -1 3 383.397 0.813 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1Cc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737637 599013020 /nfs/dbraw/zinc/01/30/20/599013020.db2.gz BOSOOXWCHPHYGI-LBPRGKRZSA-N -1 3 383.397 0.813 20 0 GCADHM NC(=O)[C@H](Sc1nnnn1CC(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737741623 599013455 /nfs/dbraw/zinc/01/34/55/599013455.db2.gz PHBNZRCQEWWENR-MRVPVSSYSA-N -1 3 385.335 0.734 20 0 GCADHM NC(=O)[C@H](Sc1nnnn1CC(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737741623 599013456 /nfs/dbraw/zinc/01/34/56/599013456.db2.gz PHBNZRCQEWWENR-MRVPVSSYSA-N -1 3 385.335 0.734 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCOC[C@H]1CCOC1 ZINC000737888903 599014369 /nfs/dbraw/zinc/01/43/69/599014369.db2.gz IACOUBFFNZZABT-CYBMUJFWSA-N -1 3 388.428 0.156 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCOC[C@H]1CCOC1 ZINC000737888903 599014371 /nfs/dbraw/zinc/01/43/71/599014371.db2.gz IACOUBFFNZZABT-CYBMUJFWSA-N -1 3 388.428 0.156 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCS(=O)(=O)CCCC(=O)N(C)C ZINC000737032365 599019585 /nfs/dbraw/zinc/01/95/85/599019585.db2.gz KLTSCSNNBJRZRN-UHFFFAOYSA-N -1 3 397.457 0.537 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCS(=O)(=O)CCCC(=O)N(C)C ZINC000737032365 599019587 /nfs/dbraw/zinc/01/95/87/599019587.db2.gz KLTSCSNNBJRZRN-UHFFFAOYSA-N -1 3 397.457 0.537 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(C(=O)NCc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000736772650 599022708 /nfs/dbraw/zinc/02/27/08/599022708.db2.gz GNLOOVUWXPSRIB-UHFFFAOYSA-N -1 3 379.428 0.991 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(C(=O)NCc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000736772650 599022710 /nfs/dbraw/zinc/02/27/10/599022710.db2.gz GNLOOVUWXPSRIB-UHFFFAOYSA-N -1 3 379.428 0.991 20 0 GCADHM CN1CCN(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CC1=O ZINC000736856700 599022774 /nfs/dbraw/zinc/02/27/74/599022774.db2.gz NARPMJGLCUHBSH-UHFFFAOYSA-N -1 3 375.458 0.584 20 0 GCADHM CN1CCN(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CC1=O ZINC000736856700 599022776 /nfs/dbraw/zinc/02/27/76/599022776.db2.gz NARPMJGLCUHBSH-UHFFFAOYSA-N -1 3 375.458 0.584 20 0 GCADHM CCn1c(C)nnc1S(=O)(=O)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736721014 599023644 /nfs/dbraw/zinc/02/36/44/599023644.db2.gz ZOZYNSSRMAVPAT-UHFFFAOYSA-N -1 3 393.429 0.648 20 0 GCADHM CCn1c(C)nnc1S(=O)(=O)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736721014 599023646 /nfs/dbraw/zinc/02/36/46/599023646.db2.gz ZOZYNSSRMAVPAT-UHFFFAOYSA-N -1 3 393.429 0.648 20 0 GCADHM CN1CCN(c2cc(CNC(=O)c3ccc(-c4nnn[n-]4)nc3)ccn2)CC1 ZINC000736866416 599024244 /nfs/dbraw/zinc/02/42/44/599024244.db2.gz FRKVAKIUQGSIMN-UHFFFAOYSA-N -1 3 379.428 0.339 20 0 GCADHM COC(=O)C[C@@H](C)S(=O)(=O)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736910778 599024372 /nfs/dbraw/zinc/02/43/72/599024372.db2.gz BLVDSSQZYNTIIA-SNVBAGLBSA-N -1 3 384.414 0.621 20 0 GCADHM COC(=O)C[C@@H](C)S(=O)(=O)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736910778 599024374 /nfs/dbraw/zinc/02/43/74/599024374.db2.gz BLVDSSQZYNTIIA-SNVBAGLBSA-N -1 3 384.414 0.621 20 0 GCADHM Cc1sc(=O)n(CCC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1C ZINC000737560236 599025870 /nfs/dbraw/zinc/02/58/70/599025870.db2.gz FCUHQZZNKCGNDA-UHFFFAOYSA-N -1 3 388.457 0.720 20 0 GCADHM Cc1sc(=O)n(CCC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1C ZINC000737560236 599025871 /nfs/dbraw/zinc/02/58/71/599025871.db2.gz FCUHQZZNKCGNDA-UHFFFAOYSA-N -1 3 388.457 0.720 20 0 GCADHM O=C(NCCCOCC1CCOCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738075987 599026363 /nfs/dbraw/zinc/02/63/63/599026363.db2.gz OFYAUMNETBVSES-UHFFFAOYSA-N -1 3 388.428 0.755 20 0 GCADHM O=C(NCCCOCC1CCOCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738075987 599026365 /nfs/dbraw/zinc/02/63/65/599026365.db2.gz OFYAUMNETBVSES-UHFFFAOYSA-N -1 3 388.428 0.755 20 0 GCADHM C[S@@](=O)CCN1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737172780 599029538 /nfs/dbraw/zinc/02/95/38/599029538.db2.gz JYLVYTYNQHTNDU-AREMUKBSSA-N -1 3 376.486 0.322 20 0 GCADHM C[S@@](=O)CCN1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737172780 599029540 /nfs/dbraw/zinc/02/95/40/599029540.db2.gz JYLVYTYNQHTNDU-AREMUKBSSA-N -1 3 376.486 0.322 20 0 GCADHM Cn1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737603951 599032998 /nfs/dbraw/zinc/03/29/98/599032998.db2.gz SXQBPIVRDOHJRB-QGZVFWFLSA-N -1 3 380.368 0.250 20 0 GCADHM Cn1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737603951 599032999 /nfs/dbraw/zinc/03/29/99/599032999.db2.gz SXQBPIVRDOHJRB-QGZVFWFLSA-N -1 3 380.368 0.250 20 0 GCADHM CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736529714 599033459 /nfs/dbraw/zinc/03/34/59/599033459.db2.gz QDEHSQAEJSPTIK-UHFFFAOYSA-N -1 3 386.460 0.278 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735624936 599033838 /nfs/dbraw/zinc/03/38/38/599033838.db2.gz XXQYROZAFFYVNG-UHFFFAOYSA-N -1 3 384.400 0.706 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735624936 599033839 /nfs/dbraw/zinc/03/38/39/599033839.db2.gz XXQYROZAFFYVNG-UHFFFAOYSA-N -1 3 384.400 0.706 20 0 GCADHM O=C(NC1=NCC(=O)N1)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738306975 599033950 /nfs/dbraw/zinc/03/39/50/599033950.db2.gz MILXFJQRIHZDHK-UHFFFAOYSA-N -1 3 377.364 0.661 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738081788 599035357 /nfs/dbraw/zinc/03/53/57/599035357.db2.gz HKCVEDTYWHBRGR-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738081788 599035360 /nfs/dbraw/zinc/03/53/60/599035360.db2.gz HKCVEDTYWHBRGR-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC000737738228 599037260 /nfs/dbraw/zinc/03/72/60/599037260.db2.gz GOOIMFIRQKOCNX-UHFFFAOYSA-N -1 3 391.819 0.621 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC000737738228 599037263 /nfs/dbraw/zinc/03/72/63/599037263.db2.gz GOOIMFIRQKOCNX-UHFFFAOYSA-N -1 3 391.819 0.621 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2=O)cc1 ZINC000737091764 599037417 /nfs/dbraw/zinc/03/74/17/599037417.db2.gz YIYZOKAZWRGCQM-MRXNPFEDSA-N -1 3 393.407 0.801 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2=O)cc1 ZINC000737091764 599037419 /nfs/dbraw/zinc/03/74/19/599037419.db2.gz YIYZOKAZWRGCQM-MRXNPFEDSA-N -1 3 393.407 0.801 20 0 GCADHM NS(=O)(=O)[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737764282 599044407 /nfs/dbraw/zinc/04/44/07/599044407.db2.gz KCZNUTNTXRRPCJ-ZETCQYMHSA-N -1 3 377.352 0.538 20 0 GCADHM NS(=O)(=O)[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737764282 599044410 /nfs/dbraw/zinc/04/44/10/599044410.db2.gz KCZNUTNTXRRPCJ-ZETCQYMHSA-N -1 3 377.352 0.538 20 0 GCADHM CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736612333 599048608 /nfs/dbraw/zinc/04/86/08/599048608.db2.gz NZOWSBYKEYWRDY-ARFHVFGLSA-N -1 3 386.456 0.645 20 0 GCADHM CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CCO1 ZINC000736595852 599051165 /nfs/dbraw/zinc/05/11/65/599051165.db2.gz XVPMTPCTRZLLGS-GFCCVEGCSA-N -1 3 381.414 0.128 20 0 GCADHM CCOC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CCO1 ZINC000736595852 599051168 /nfs/dbraw/zinc/05/11/68/599051168.db2.gz XVPMTPCTRZLLGS-GFCCVEGCSA-N -1 3 381.414 0.128 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)[C@H]2CCO[C@H]21 ZINC000736204306 599054116 /nfs/dbraw/zinc/05/41/16/599054116.db2.gz DSBXERQBGWDNCT-FVQBIDKESA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)[C@H]2CCO[C@H]21 ZINC000736204306 599054118 /nfs/dbraw/zinc/05/41/18/599054118.db2.gz DSBXERQBGWDNCT-FVQBIDKESA-N -1 3 398.471 0.907 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736884399 599057031 /nfs/dbraw/zinc/05/70/31/599057031.db2.gz TVBLAJHQDVEUBS-MRVPVSSYSA-N -1 3 391.379 0.799 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736884399 599057034 /nfs/dbraw/zinc/05/70/34/599057034.db2.gz TVBLAJHQDVEUBS-MRVPVSSYSA-N -1 3 391.379 0.799 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)OCCCF ZINC000737825673 599061418 /nfs/dbraw/zinc/06/14/18/599061418.db2.gz NOCDBGZDPZVEIP-GFCCVEGCSA-N -1 3 376.348 0.975 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCCCF ZINC000737825673 599061421 /nfs/dbraw/zinc/06/14/21/599061421.db2.gz NOCDBGZDPZVEIP-GFCCVEGCSA-N -1 3 376.348 0.975 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000737058956 599062020 /nfs/dbraw/zinc/06/20/20/599062020.db2.gz QDEWZYOPIBZRHZ-HONMWMINSA-N -1 3 386.412 0.744 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000737058956 599062022 /nfs/dbraw/zinc/06/20/22/599062022.db2.gz QDEWZYOPIBZRHZ-HONMWMINSA-N -1 3 386.412 0.744 20 0 GCADHM CC(C)CNC(=O)C1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735835169 599067114 /nfs/dbraw/zinc/06/71/14/599067114.db2.gz FMJUFCOIDHMASF-MRXNPFEDSA-N -1 3 385.472 0.877 20 0 GCADHM Cc1noc(C)c1CN1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737539048 599071228 /nfs/dbraw/zinc/07/12/28/599071228.db2.gz XZYHQYAICFBPOV-KRWDZBQOSA-N -1 3 396.455 0.816 20 0 GCADHM Cc1noc(C)c1CN1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737539048 599071230 /nfs/dbraw/zinc/07/12/30/599071230.db2.gz XZYHQYAICFBPOV-KRWDZBQOSA-N -1 3 396.455 0.816 20 0 GCADHM CCN([C@H](C)c1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CCS(C)(=O)=O ZINC000821160307 599337846 /nfs/dbraw/zinc/33/78/46/599337846.db2.gz JHAGULWMHDOYQU-LLVKDONJSA-N -1 3 387.487 0.624 20 0 GCADHM CCOc1ncnc2c1CN([C@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736656882 599072147 /nfs/dbraw/zinc/07/21/47/599072147.db2.gz NUKWFTMRBJNSHD-HNNXBMFYSA-N -1 3 380.412 0.640 20 0 GCADHM CCOc1ncnc2c1CN([C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736656882 599072149 /nfs/dbraw/zinc/07/21/49/599072149.db2.gz NUKWFTMRBJNSHD-HNNXBMFYSA-N -1 3 380.412 0.640 20 0 GCADHM CCN([C@H](C)c1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCS(C)(=O)=O ZINC000821160307 599337849 /nfs/dbraw/zinc/33/78/49/599337849.db2.gz JHAGULWMHDOYQU-LLVKDONJSA-N -1 3 387.487 0.624 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](N[C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735943534 599074463 /nfs/dbraw/zinc/07/44/63/599074463.db2.gz TZQPZXOXAHUAKP-UKRRQHHQSA-N -1 3 381.444 0.713 20 0 GCADHM CN(C)c1cc2c(nn1)CCN([C@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000736774239 599074961 /nfs/dbraw/zinc/07/49/61/599074961.db2.gz SSFYZQJLSUPVEB-INIZCTEOSA-N -1 3 379.428 0.307 20 0 GCADHM CN(C)c1cc2c(nn1)CCN([C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000736774239 599074964 /nfs/dbraw/zinc/07/49/64/599074964.db2.gz SSFYZQJLSUPVEB-INIZCTEOSA-N -1 3 379.428 0.307 20 0 GCADHM Cc1cc(C)n(C[C@@H]2CN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000737257349 599075446 /nfs/dbraw/zinc/07/54/46/599075446.db2.gz RJXQDCLTDXBKHX-IRXDYDNUSA-N -1 3 396.455 0.607 20 0 GCADHM Cc1cc(C)n(C[C@@H]2CN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000737257349 599075448 /nfs/dbraw/zinc/07/54/48/599075448.db2.gz RJXQDCLTDXBKHX-IRXDYDNUSA-N -1 3 396.455 0.607 20 0 GCADHM CN(C[C@@H](O)COCc1ccccc1)[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736789047 599077969 /nfs/dbraw/zinc/07/79/69/599077969.db2.gz SPUPXMVWFQWYKC-MSOLQXFVSA-N -1 3 396.451 0.903 20 0 GCADHM CN(C[C@@H](O)COCc1ccccc1)[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736789047 599077971 /nfs/dbraw/zinc/07/79/71/599077971.db2.gz SPUPXMVWFQWYKC-MSOLQXFVSA-N -1 3 396.451 0.903 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000737746075 599079397 /nfs/dbraw/zinc/07/93/97/599079397.db2.gz ZPQSQWKOJGFXIH-NVXWUHKLSA-N -1 3 383.456 0.870 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000737746075 599079400 /nfs/dbraw/zinc/07/94/00/599079400.db2.gz ZPQSQWKOJGFXIH-NVXWUHKLSA-N -1 3 383.456 0.870 20 0 GCADHM CC(C)N1C(=O)CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1(C)C ZINC000820126619 599082528 /nfs/dbraw/zinc/08/25/28/599082528.db2.gz BFFYMGSCRUVNEN-UHFFFAOYSA-N -1 3 393.473 0.350 20 0 GCADHM CC(C)N1C(=O)CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1(C)C ZINC000820126619 599082531 /nfs/dbraw/zinc/08/25/31/599082531.db2.gz BFFYMGSCRUVNEN-UHFFFAOYSA-N -1 3 393.473 0.350 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCCOC1CCOCC1 ZINC000737025052 599085633 /nfs/dbraw/zinc/08/56/33/599085633.db2.gz XABWDJNBAKQAQE-UHFFFAOYSA-N -1 3 391.428 0.956 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCCOC1CCOCC1 ZINC000737025052 599085635 /nfs/dbraw/zinc/08/56/35/599085635.db2.gz XABWDJNBAKQAQE-UHFFFAOYSA-N -1 3 391.428 0.956 20 0 GCADHM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738019107 599085956 /nfs/dbraw/zinc/08/59/56/599085956.db2.gz CZXKLXGIIFILJF-AWEZNQCLSA-N -1 3 393.407 0.671 20 0 GCADHM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738019107 599085959 /nfs/dbraw/zinc/08/59/59/599085959.db2.gz CZXKLXGIIFILJF-AWEZNQCLSA-N -1 3 393.407 0.671 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609181 599087655 /nfs/dbraw/zinc/08/76/55/599087655.db2.gz DKTFXBRZQTWVJI-AWEZNQCLSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609181 599087658 /nfs/dbraw/zinc/08/76/58/599087658.db2.gz DKTFXBRZQTWVJI-AWEZNQCLSA-N -1 3 396.411 0.291 20 0 GCADHM NC(=O)[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739291 599089793 /nfs/dbraw/zinc/08/97/93/599089793.db2.gz XTHYBXVLUBUYKD-QGZVFWFLSA-N -1 3 389.423 0.823 20 0 GCADHM COc1ccc(NC(=O)COc2ccccc2-c2nnn[n-]2)cc1-n1cnnn1 ZINC000737102078 599093846 /nfs/dbraw/zinc/09/38/46/599093846.db2.gz LWIZEDILQCBNSG-UHFFFAOYSA-N -1 3 393.367 0.869 20 0 GCADHM COc1ccc(NC(=O)COc2ccccc2-c2nn[n-]n2)cc1-n1cnnn1 ZINC000737102078 599093849 /nfs/dbraw/zinc/09/38/49/599093849.db2.gz LWIZEDILQCBNSG-UHFFFAOYSA-N -1 3 393.367 0.869 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729690 599096478 /nfs/dbraw/zinc/09/64/78/599096478.db2.gz BMPPJVCYLJUQHE-YOEHRIQHSA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729690 599096481 /nfs/dbraw/zinc/09/64/81/599096481.db2.gz BMPPJVCYLJUQHE-YOEHRIQHSA-N -1 3 377.408 0.788 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735628495 599098767 /nfs/dbraw/zinc/09/87/67/599098767.db2.gz VHBFNDSNPKVMJR-UONOGXRCSA-N -1 3 387.444 0.992 20 0 GCADHM Cc1ccc(C(=O)NCCN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737313277 599099732 /nfs/dbraw/zinc/09/97/32/599099732.db2.gz SWKJMVFRWVMKHT-INIZCTEOSA-N -1 3 379.424 0.721 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCc2nn(C)c(=O)cc2C1 ZINC000819876989 599101967 /nfs/dbraw/zinc/10/19/67/599101967.db2.gz LYCTXROZCXDSON-NSHDSACASA-N -1 3 380.412 0.346 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCc2nn(C)c(=O)cc2C1 ZINC000819876989 599101969 /nfs/dbraw/zinc/10/19/69/599101969.db2.gz LYCTXROZCXDSON-NSHDSACASA-N -1 3 380.412 0.346 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821567965 599102947 /nfs/dbraw/zinc/10/29/47/599102947.db2.gz BJUYXVDTYVCDIJ-KRWDZBQOSA-N -1 3 395.423 0.716 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821567965 599102948 /nfs/dbraw/zinc/10/29/48/599102948.db2.gz BJUYXVDTYVCDIJ-KRWDZBQOSA-N -1 3 395.423 0.716 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737611277 599106241 /nfs/dbraw/zinc/10/62/41/599106241.db2.gz UIVPSGPUEMMSPH-OAHLLOKOSA-N -1 3 395.427 0.324 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCCOC[C@H]1CCCO1 ZINC000738082272 599106599 /nfs/dbraw/zinc/10/65/99/599106599.db2.gz KMHCOXHQSZCREU-GFCCVEGCSA-N -1 3 376.421 0.168 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCCOC[C@H]1CCCO1 ZINC000738082272 599106601 /nfs/dbraw/zinc/10/66/01/599106601.db2.gz KMHCOXHQSZCREU-GFCCVEGCSA-N -1 3 376.421 0.168 20 0 GCADHM CC(=O)NCc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735481641 599112466 /nfs/dbraw/zinc/11/24/66/599112466.db2.gz JKVZQZJYKIMWQL-MRXNPFEDSA-N -1 3 394.391 0.886 20 0 GCADHM CC(=O)NCc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735481641 599112469 /nfs/dbraw/zinc/11/24/69/599112469.db2.gz JKVZQZJYKIMWQL-MRXNPFEDSA-N -1 3 394.391 0.886 20 0 GCADHM Cc1ccccc1C(=O)NCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737415355 599113323 /nfs/dbraw/zinc/11/33/23/599113323.db2.gz OJQDJWPWFWVKFD-INIZCTEOSA-N -1 3 394.391 0.675 20 0 GCADHM Cc1ccccc1C(=O)NCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737415355 599113325 /nfs/dbraw/zinc/11/33/25/599113325.db2.gz OJQDJWPWFWVKFD-INIZCTEOSA-N -1 3 394.391 0.675 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737735385 599116320 /nfs/dbraw/zinc/11/63/20/599116320.db2.gz CPTPSZQXOSXVIP-KRWDZBQOSA-N -1 3 394.391 0.295 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735385 599116324 /nfs/dbraw/zinc/11/63/24/599116324.db2.gz CPTPSZQXOSXVIP-KRWDZBQOSA-N -1 3 394.391 0.295 20 0 GCADHM NC(=O)Nc1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737756084 599117169 /nfs/dbraw/zinc/11/71/69/599117169.db2.gz RYQBEZVFAMHBJR-CYBMUJFWSA-N -1 3 381.352 0.741 20 0 GCADHM NC(=O)Nc1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737756084 599117174 /nfs/dbraw/zinc/11/71/74/599117174.db2.gz RYQBEZVFAMHBJR-CYBMUJFWSA-N -1 3 381.352 0.741 20 0 GCADHM C[C@H](C(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000819858159 599117961 /nfs/dbraw/zinc/11/79/61/599117961.db2.gz ZTHBPOMBEAVFNO-ZCFIWIBFSA-N -1 3 381.311 0.847 20 0 GCADHM C[C@H](C(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000819858159 599117963 /nfs/dbraw/zinc/11/79/63/599117963.db2.gz ZTHBPOMBEAVFNO-ZCFIWIBFSA-N -1 3 381.311 0.847 20 0 GCADHM Cc1nn(C)c(C)c1CCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737512290 599118698 /nfs/dbraw/zinc/11/86/98/599118698.db2.gz YIFMLGQRPXUWCA-MRXNPFEDSA-N -1 3 383.412 0.919 20 0 GCADHM Cc1nn(C)c(C)c1CCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737512290 599118700 /nfs/dbraw/zinc/11/87/00/599118700.db2.gz YIFMLGQRPXUWCA-MRXNPFEDSA-N -1 3 383.412 0.919 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@H]1COc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737157 599118790 /nfs/dbraw/zinc/11/87/90/599118790.db2.gz ORSDIKYTYHAMDT-HUUCEWRRSA-N -1 3 381.348 0.776 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@H]1COc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737157 599118792 /nfs/dbraw/zinc/11/87/92/599118792.db2.gz ORSDIKYTYHAMDT-HUUCEWRRSA-N -1 3 381.348 0.776 20 0 GCADHM Cc1nn(C)c2ncc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000737511280 599118943 /nfs/dbraw/zinc/11/89/43/599118943.db2.gz MGPSZVLKUPJLIX-AWEZNQCLSA-N -1 3 392.379 0.840 20 0 GCADHM Cc1nn(C)c2ncc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000737511280 599118945 /nfs/dbraw/zinc/11/89/45/599118945.db2.gz MGPSZVLKUPJLIX-AWEZNQCLSA-N -1 3 392.379 0.840 20 0 GCADHM CC(=O)Nc1nc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735488845 599119877 /nfs/dbraw/zinc/11/98/77/599119877.db2.gz ODHXBIXADPZIKW-LLVKDONJSA-N -1 3 387.381 0.665 20 0 GCADHM CC(=O)Nc1nc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735488845 599119880 /nfs/dbraw/zinc/11/98/80/599119880.db2.gz ODHXBIXADPZIKW-LLVKDONJSA-N -1 3 387.381 0.665 20 0 GCADHM CC(=O)N1CCN(CCNc2c(-c3nnn[n-]3)cnc3c(C)cccc32)CC1 ZINC000735465975 599120841 /nfs/dbraw/zinc/12/08/41/599120841.db2.gz CMSVWOFFPIKIAP-UHFFFAOYSA-N -1 3 380.456 0.721 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCOC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737351 599121132 /nfs/dbraw/zinc/12/11/32/599121132.db2.gz QIXONLKUOJJUQC-HIFRSBDPSA-N -1 3 375.385 0.522 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCOC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737351 599121133 /nfs/dbraw/zinc/12/11/33/599121133.db2.gz QIXONLKUOJJUQC-HIFRSBDPSA-N -1 3 375.385 0.522 20 0 GCADHM CC(=O)Nc1ccc(O)c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735487840 599122319 /nfs/dbraw/zinc/12/23/19/599122319.db2.gz CCOSTOWXGZQSAC-OAHLLOKOSA-N -1 3 396.363 0.914 20 0 GCADHM CC(=O)Nc1ccc(O)c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735487840 599122320 /nfs/dbraw/zinc/12/23/20/599122320.db2.gz CCOSTOWXGZQSAC-OAHLLOKOSA-N -1 3 396.363 0.914 20 0 GCADHM NC(=O)NC1CCC(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737758319 599123880 /nfs/dbraw/zinc/12/38/80/599123880.db2.gz IXTVQGGFIOKZGF-WXRRBKDZSA-N -1 3 387.400 0.163 20 0 GCADHM NC(=O)NC1CCC(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737758319 599123881 /nfs/dbraw/zinc/12/38/81/599123881.db2.gz IXTVQGGFIOKZGF-WXRRBKDZSA-N -1 3 387.400 0.163 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccccc1OCCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000737745314 599123976 /nfs/dbraw/zinc/12/39/76/599123976.db2.gz WHYLHTMLELGQOX-OAHLLOKOSA-N -1 3 383.364 0.621 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccccc1OCCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000737745314 599123979 /nfs/dbraw/zinc/12/39/79/599123979.db2.gz WHYLHTMLELGQOX-OAHLLOKOSA-N -1 3 383.364 0.621 20 0 GCADHM NC(=O)CNc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737752436 599124033 /nfs/dbraw/zinc/12/40/33/599124033.db2.gz GLTBGRSJRRQDBH-HNNXBMFYSA-N -1 3 395.379 0.147 20 0 GCADHM NC(=O)CNc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737752436 599124035 /nfs/dbraw/zinc/12/40/35/599124035.db2.gz GLTBGRSJRRQDBH-HNNXBMFYSA-N -1 3 395.379 0.147 20 0 GCADHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCNS(=O)(=O)c2cnn(C)c2)n1 ZINC000822192801 599124201 /nfs/dbraw/zinc/12/42/01/599124201.db2.gz BBTAKSGWAYEIDG-UHFFFAOYSA-N -1 3 394.486 0.683 20 0 GCADHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCNS(=O)(=O)c2cnn(C)c2)n1 ZINC000822192801 599124202 /nfs/dbraw/zinc/12/42/02/599124202.db2.gz BBTAKSGWAYEIDG-UHFFFAOYSA-N -1 3 394.486 0.683 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(N2CCCC2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738114 599125823 /nfs/dbraw/zinc/12/58/23/599125823.db2.gz DNQQRWBMJWIQBX-HNNXBMFYSA-N -1 3 394.395 0.640 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(N2CCCC2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738114 599125826 /nfs/dbraw/zinc/12/58/26/599125826.db2.gz DNQQRWBMJWIQBX-HNNXBMFYSA-N -1 3 394.395 0.640 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736306465 599126240 /nfs/dbraw/zinc/12/62/40/599126240.db2.gz YMWIHCOYJSQKSR-YPMHNXCESA-N -1 3 390.425 0.248 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736306465 599126244 /nfs/dbraw/zinc/12/62/44/599126244.db2.gz YMWIHCOYJSQKSR-YPMHNXCESA-N -1 3 390.425 0.248 20 0 GCADHM Cn1ncc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1C(F)F ZINC000737621379 599127669 /nfs/dbraw/zinc/12/76/69/599127669.db2.gz FKTLYEDJTMBKGY-NSHDSACASA-N -1 3 377.311 0.921 20 0 GCADHM Cn1ncc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC000737621379 599127671 /nfs/dbraw/zinc/12/76/71/599127671.db2.gz FKTLYEDJTMBKGY-NSHDSACASA-N -1 3 377.311 0.921 20 0 GCADHM Cn1nnc2cc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000737626725 599127679 /nfs/dbraw/zinc/12/76/79/599127679.db2.gz JUMHKANBGMJCHS-CQSZACIVSA-N -1 3 378.352 0.532 20 0 GCADHM Cn1nnc2cc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000737626725 599127682 /nfs/dbraw/zinc/12/76/82/599127682.db2.gz JUMHKANBGMJCHS-CQSZACIVSA-N -1 3 378.352 0.532 20 0 GCADHM CN(C)C(=O)c1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736752759 599127772 /nfs/dbraw/zinc/12/77/72/599127772.db2.gz AZHICCSKLQWEPI-HNNXBMFYSA-N -1 3 394.391 0.952 20 0 GCADHM CN(C)C(=O)c1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736752759 599127773 /nfs/dbraw/zinc/12/77/73/599127773.db2.gz AZHICCSKLQWEPI-HNNXBMFYSA-N -1 3 394.391 0.952 20 0 GCADHM CCCn1c(CO)nnc1SCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821143350 607258812 /nfs/dbraw/zinc/25/88/12/607258812.db2.gz SDHONLXBVQHZFV-UHFFFAOYSA-N -1 3 388.457 0.769 20 0 GCADHM CCCCc1nnc(SCc2cc(=O)n3ncc(-c4nnn[n-]4)c3[nH]2)n1N ZINC000821082802 599130797 /nfs/dbraw/zinc/13/07/97/599130797.db2.gz OXAZCNWDZBWQKS-UHFFFAOYSA-N -1 3 387.433 0.555 20 0 GCADHM CCCn1c(CO)nnc1SCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821143350 607258813 /nfs/dbraw/zinc/25/88/13/607258813.db2.gz SDHONLXBVQHZFV-UHFFFAOYSA-N -1 3 388.457 0.769 20 0 GCADHM NC(=O)CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000463300198 599133879 /nfs/dbraw/zinc/13/38/79/599133879.db2.gz IQPOXVHTALNDRR-UHFFFAOYSA-N -1 3 386.393 0.378 20 0 GCADHM NC(=O)CS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000463300198 599133881 /nfs/dbraw/zinc/13/38/81/599133881.db2.gz IQPOXVHTALNDRR-UHFFFAOYSA-N -1 3 386.393 0.378 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(C)C[C@@H](C)O ZINC000736988554 599147040 /nfs/dbraw/zinc/14/70/40/599147040.db2.gz VCBIWTKPEOHXIA-LLVKDONJSA-N -1 3 379.465 0.573 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN(C)C[C@@H](C)O ZINC000736988554 599147043 /nfs/dbraw/zinc/14/70/43/599147043.db2.gz VCBIWTKPEOHXIA-LLVKDONJSA-N -1 3 379.465 0.573 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738081603 599150849 /nfs/dbraw/zinc/15/08/49/599150849.db2.gz FDJKEINFZIHECP-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738081603 599150853 /nfs/dbraw/zinc/15/08/53/599150853.db2.gz FDJKEINFZIHECP-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](OCCO)C1 ZINC000738162458 599151868 /nfs/dbraw/zinc/15/18/68/599151868.db2.gz FXSCSIKYKADEKD-NSHDSACASA-N -1 3 394.819 0.459 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](OCCO)C1 ZINC000738162458 599151869 /nfs/dbraw/zinc/15/18/69/599151869.db2.gz FXSCSIKYKADEKD-NSHDSACASA-N -1 3 394.819 0.459 20 0 GCADHM NC(=O)CNC(=O)c1ccc(OC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737753746 599157129 /nfs/dbraw/zinc/15/71/29/599157129.db2.gz QIDJOUITDBOMJY-UHFFFAOYSA-N -1 3 396.363 0.066 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000738347792 599301749 /nfs/dbraw/zinc/30/17/49/599301749.db2.gz NYRLUKRBLUMVFQ-LBPRGKRZSA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000738347792 599301750 /nfs/dbraw/zinc/30/17/50/599301750.db2.gz NYRLUKRBLUMVFQ-LBPRGKRZSA-N -1 3 382.421 0.101 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821932017 599168808 /nfs/dbraw/zinc/16/88/08/599168808.db2.gz IPAQQYOWEVLQSV-UHFFFAOYSA-N -1 3 382.421 0.294 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821932017 599168810 /nfs/dbraw/zinc/16/88/10/599168810.db2.gz IPAQQYOWEVLQSV-UHFFFAOYSA-N -1 3 382.421 0.294 20 0 GCADHM CN1CC[C@@H](N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)C1=O ZINC000736851465 599172360 /nfs/dbraw/zinc/17/23/60/599172360.db2.gz IMVLTPNZXSBDBH-MRXNPFEDSA-N -1 3 378.440 0.768 20 0 GCADHM CN1CC[C@@H](N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)C1=O ZINC000736851465 599172361 /nfs/dbraw/zinc/17/23/61/599172361.db2.gz IMVLTPNZXSBDBH-MRXNPFEDSA-N -1 3 378.440 0.768 20 0 GCADHM O=C1NCCc2ccc(S(=O)(=O)NCc3ccc(-c4nnn[n-]4)cc3)cc21 ZINC000738318608 599177441 /nfs/dbraw/zinc/17/74/41/599177441.db2.gz LBWCLAUCFBHVFP-UHFFFAOYSA-N -1 3 384.421 0.631 20 0 GCADHM O=C1NCCc2ccc(S(=O)(=O)NCc3ccc(-c4nn[n-]n4)cc3)cc21 ZINC000738318608 599177446 /nfs/dbraw/zinc/17/74/46/599177446.db2.gz LBWCLAUCFBHVFP-UHFFFAOYSA-N -1 3 384.421 0.631 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000820438435 607259490 /nfs/dbraw/zinc/25/94/90/607259490.db2.gz PIMUKUMJXCBHRN-ZANVPECISA-N -1 3 386.865 0.518 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CN(C)CCO1 ZINC000820438435 607259491 /nfs/dbraw/zinc/25/94/91/607259491.db2.gz PIMUKUMJXCBHRN-ZANVPECISA-N -1 3 386.865 0.518 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NCCC1CC1 ZINC000822955010 599190862 /nfs/dbraw/zinc/19/08/62/599190862.db2.gz IMCLFLRXOMSRDA-AWEZNQCLSA-N -1 3 383.412 0.988 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NCCC1CC1 ZINC000822955010 599190865 /nfs/dbraw/zinc/19/08/65/599190865.db2.gz IMCLFLRXOMSRDA-AWEZNQCLSA-N -1 3 383.412 0.988 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NCCC1CC1 ZINC000822955011 599190966 /nfs/dbraw/zinc/19/09/66/599190966.db2.gz IMCLFLRXOMSRDA-CQSZACIVSA-N -1 3 383.412 0.988 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NCCC1CC1 ZINC000822955011 599190968 /nfs/dbraw/zinc/19/09/68/599190968.db2.gz IMCLFLRXOMSRDA-CQSZACIVSA-N -1 3 383.412 0.988 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735830100 599193699 /nfs/dbraw/zinc/19/36/99/599193699.db2.gz DCWWDPJTQJJEQU-UHFFFAOYSA-N -1 3 397.439 0.563 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735830100 599193702 /nfs/dbraw/zinc/19/37/02/599193702.db2.gz DCWWDPJTQJJEQU-UHFFFAOYSA-N -1 3 397.439 0.563 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000821691929 599196796 /nfs/dbraw/zinc/19/67/96/599196796.db2.gz JZGFKOWKZFSHAG-CYBMUJFWSA-N -1 3 391.428 0.766 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000821691929 599196798 /nfs/dbraw/zinc/19/67/98/599196798.db2.gz JZGFKOWKZFSHAG-CYBMUJFWSA-N -1 3 391.428 0.766 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)CCS(C)(=O)=O ZINC000820525575 599199714 /nfs/dbraw/zinc/19/97/14/599199714.db2.gz GGNBJIMJSYCVCK-LLVKDONJSA-N -1 3 381.458 0.964 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1nnnn1C1CC1 ZINC000820033899 599200887 /nfs/dbraw/zinc/20/08/87/599200887.db2.gz ZNZUDIDRDYHSRP-OAHLLOKOSA-N -1 3 383.416 0.908 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1nnnn1C1CC1 ZINC000820033899 599200889 /nfs/dbraw/zinc/20/08/89/599200889.db2.gz ZNZUDIDRDYHSRP-OAHLLOKOSA-N -1 3 383.416 0.908 20 0 GCADHM COCCN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736990056 599205041 /nfs/dbraw/zinc/20/50/41/599205041.db2.gz YJPZOPXPQGOGQY-LBPRGKRZSA-N -1 3 377.426 0.795 20 0 GCADHM COCCN(C(=O)C[C@@H]1C=CS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736990056 599205043 /nfs/dbraw/zinc/20/50/43/599205043.db2.gz YJPZOPXPQGOGQY-LBPRGKRZSA-N -1 3 377.426 0.795 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000821700569 599206930 /nfs/dbraw/zinc/20/69/30/599206930.db2.gz RXLTUYYTLKPJNK-UHTWSYAYSA-N -1 3 386.412 0.380 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000821700569 599206932 /nfs/dbraw/zinc/20/69/32/599206932.db2.gz RXLTUYYTLKPJNK-UHTWSYAYSA-N -1 3 386.412 0.380 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658760 599207887 /nfs/dbraw/zinc/20/78/87/599207887.db2.gz UROQIMJJIZCDAY-XHDPSFHLSA-N -1 3 395.427 0.322 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 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GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCN1CCOC ZINC000736406905 599237172 /nfs/dbraw/zinc/23/71/72/599237172.db2.gz MZYLITJTQUOBRN-CQSZACIVSA-N -1 3 380.474 0.598 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCN1CCOC ZINC000736406905 599237173 /nfs/dbraw/zinc/23/71/73/599237173.db2.gz MZYLITJTQUOBRN-CQSZACIVSA-N -1 3 380.474 0.598 20 0 GCADHM COCCOC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737005539 599241310 /nfs/dbraw/zinc/24/13/10/599241310.db2.gz HYLRHLPAVVZSQQ-VIFPVBQESA-N -1 3 382.808 0.626 20 0 GCADHM COCCOC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737005539 599241312 /nfs/dbraw/zinc/24/13/12/599241312.db2.gz HYLRHLPAVVZSQQ-VIFPVBQESA-N -1 3 382.808 0.626 20 0 GCADHM O=C(COC1CCOCC1)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737915022 599242597 /nfs/dbraw/zinc/24/25/97/599242597.db2.gz CJFSMJVUVNWBBH-HNNXBMFYSA-N -1 3 387.396 0.711 20 0 GCADHM O=C(COC1CCOCC1)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737915022 599242598 /nfs/dbraw/zinc/24/25/98/599242598.db2.gz CJFSMJVUVNWBBH-HNNXBMFYSA-N -1 3 387.396 0.711 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821635254 607272125 /nfs/dbraw/zinc/27/21/25/607272125.db2.gz SZNKZFKHLOLYNG-UHFFFAOYSA-N -1 3 393.407 0.790 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821635254 607272126 /nfs/dbraw/zinc/27/21/26/607272126.db2.gz SZNKZFKHLOLYNG-UHFFFAOYSA-N -1 3 393.407 0.790 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCNC(=O)c2ccco2)cccc1-c1nnn[n-]1 ZINC000822053410 607272388 /nfs/dbraw/zinc/27/23/88/607272388.db2.gz MXZLBFBWBKGYIA-UHFFFAOYSA-N -1 3 383.368 0.253 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCNC(=O)c2ccco2)cccc1-c1nn[n-]n1 ZINC000822053410 607272389 /nfs/dbraw/zinc/27/23/89/607272389.db2.gz MXZLBFBWBKGYIA-UHFFFAOYSA-N -1 3 383.368 0.253 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000738088338 599244310 /nfs/dbraw/zinc/24/43/10/599244310.db2.gz JTCMQAXORXVADM-UHFFFAOYSA-N -1 3 377.368 0.651 20 0 GCADHM Cc1c(NC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000822035569 607275802 /nfs/dbraw/zinc/27/58/02/607275802.db2.gz WSIYNLSSIZUHMR-MNOVXSKESA-N -1 3 394.457 0.394 20 0 GCADHM Cc1c(NC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000822035569 607275803 /nfs/dbraw/zinc/27/58/03/607275803.db2.gz WSIYNLSSIZUHMR-MNOVXSKESA-N -1 3 394.457 0.394 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821863680 607276016 /nfs/dbraw/zinc/27/60/16/607276016.db2.gz MTJWIYFXBGICOP-INIZCTEOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821863680 607276017 /nfs/dbraw/zinc/27/60/17/607276017.db2.gz MTJWIYFXBGICOP-INIZCTEOSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)C2 ZINC000822464026 607277122 /nfs/dbraw/zinc/27/71/22/607277122.db2.gz YKJNIEBQXWNWEA-UHFFFAOYSA-N -1 3 380.412 0.969 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)C2 ZINC000822464026 607277123 /nfs/dbraw/zinc/27/71/23/607277123.db2.gz YKJNIEBQXWNWEA-UHFFFAOYSA-N -1 3 380.412 0.969 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000822054123 607277208 /nfs/dbraw/zinc/27/72/08/607277208.db2.gz USJXRTLYSVUADJ-UHFFFAOYSA-N -1 3 392.419 0.760 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC000822054123 607277209 /nfs/dbraw/zinc/27/72/09/607277209.db2.gz USJXRTLYSVUADJ-UHFFFAOYSA-N -1 3 392.419 0.760 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(=O)Nc2cccnc2)cccc1-c1nnn[n-]1 ZINC000822052640 607277251 /nfs/dbraw/zinc/27/72/51/607277251.db2.gz FPJJBSMXMGPOLR-UHFFFAOYSA-N -1 3 380.368 0.264 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(=O)Nc2cccnc2)cccc1-c1nn[n-]n1 ZINC000822052640 607277252 /nfs/dbraw/zinc/27/72/52/607277252.db2.gz FPJJBSMXMGPOLR-UHFFFAOYSA-N -1 3 380.368 0.264 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cccc1-c1nnn[n-]1 ZINC000822046148 607277727 /nfs/dbraw/zinc/27/77/27/607277727.db2.gz YZJBSPOLEGRIPI-UHFFFAOYSA-N -1 3 399.455 0.971 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cccc1-c1nn[n-]n1 ZINC000822046148 607277728 /nfs/dbraw/zinc/27/77/28/607277728.db2.gz YZJBSPOLEGRIPI-UHFFFAOYSA-N -1 3 399.455 0.971 20 0 GCADHM CN1CC(=O)N(CCCC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736845536 599245601 /nfs/dbraw/zinc/24/56/01/599245601.db2.gz MGXBZQHPECESDU-UHFFFAOYSA-N -1 3 387.400 0.036 20 0 GCADHM O=C(CNC(=O)NC1CCCCC1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737889509 599245807 /nfs/dbraw/zinc/24/58/07/599245807.db2.gz OQEQVWCPTVUVQQ-UHFFFAOYSA-N -1 3 387.444 0.994 20 0 GCADHM COC(=O)[C@@]1(F)CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821653899 607278154 /nfs/dbraw/zinc/27/81/54/607278154.db2.gz ODGMGQJYWIDWOQ-MRXNPFEDSA-N -1 3 376.348 0.227 20 0 GCADHM COC(=O)[C@@]1(F)CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821653899 607278155 /nfs/dbraw/zinc/27/81/55/607278155.db2.gz ODGMGQJYWIDWOQ-MRXNPFEDSA-N -1 3 376.348 0.227 20 0 GCADHM CNC(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821636467 607272550 /nfs/dbraw/zinc/27/25/50/607272550.db2.gz RIGYXYAXPLHDOX-UHFFFAOYSA-N -1 3 393.407 0.790 20 0 GCADHM CNC(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821636467 607272551 /nfs/dbraw/zinc/27/25/51/607272551.db2.gz RIGYXYAXPLHDOX-UHFFFAOYSA-N -1 3 393.407 0.790 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc(F)cc1 ZINC000738081380 599246103 /nfs/dbraw/zinc/24/61/03/599246103.db2.gz CFVDEYYGAAHCAZ-UHFFFAOYSA-N -1 3 384.371 0.817 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2nnc3n2CCCC3)cccc1-c1nnn[n-]1 ZINC000822061722 607273364 /nfs/dbraw/zinc/27/33/64/607273364.db2.gz VZEFSPWRHIHQJR-UHFFFAOYSA-N -1 3 381.400 0.358 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2nnc3n2CCCC3)cccc1-c1nn[n-]n1 ZINC000822061722 607273365 /nfs/dbraw/zinc/27/33/65/607273365.db2.gz VZEFSPWRHIHQJR-UHFFFAOYSA-N -1 3 381.400 0.358 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000826471149 607777853 /nfs/dbraw/zinc/77/78/53/607777853.db2.gz OMNAGHBOWFYDTK-UHFFFAOYSA-N -1 3 382.427 0.470 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(CCCO)S(=O)(=O)c1cccs1 ZINC000826471149 607777854 /nfs/dbraw/zinc/77/78/54/607777854.db2.gz OMNAGHBOWFYDTK-UHFFFAOYSA-N -1 3 382.427 0.470 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736187421 599247739 /nfs/dbraw/zinc/24/77/39/599247739.db2.gz AIFVKAYIBAXBCY-ZDUSSCGKSA-N -1 3 380.412 0.773 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736187421 599247741 /nfs/dbraw/zinc/24/77/41/599247741.db2.gz AIFVKAYIBAXBCY-ZDUSSCGKSA-N -1 3 380.412 0.773 20 0 GCADHM CC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000819789761 607275126 /nfs/dbraw/zinc/27/51/26/607275126.db2.gz XFAYDSALIXWWGT-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000819789761 607275127 /nfs/dbraw/zinc/27/51/27/607275127.db2.gz XFAYDSALIXWWGT-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000820909354 607278762 /nfs/dbraw/zinc/27/87/62/607278762.db2.gz UXRAQNHAYCHVKT-CYBMUJFWSA-N -1 3 387.444 0.029 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cccc1-c1nnn[n-]1 ZINC000822045430 607279108 /nfs/dbraw/zinc/27/91/08/607279108.db2.gz QYNJYFZMCMDCAN-OAHLLOKOSA-N -1 3 396.411 0.447 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cccc1-c1nn[n-]n1 ZINC000822045430 607279109 /nfs/dbraw/zinc/27/91/09/607279109.db2.gz QYNJYFZMCMDCAN-OAHLLOKOSA-N -1 3 396.411 0.447 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821170438 607279496 /nfs/dbraw/zinc/27/94/96/607279496.db2.gz QNQATLLIFXDORU-OAHLLOKOSA-N -1 3 399.455 0.973 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821170438 607279497 /nfs/dbraw/zinc/27/94/97/607279497.db2.gz QNQATLLIFXDORU-OAHLLOKOSA-N -1 3 399.455 0.973 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCN2C1=O ZINC000821243081 607280259 /nfs/dbraw/zinc/28/02/59/607280259.db2.gz YUVSJZCGARBCIL-CYBMUJFWSA-N -1 3 384.400 0.675 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCN2C1=O ZINC000821243081 607280260 /nfs/dbraw/zinc/28/02/60/607280260.db2.gz YUVSJZCGARBCIL-CYBMUJFWSA-N -1 3 384.400 0.675 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737610901 599251549 /nfs/dbraw/zinc/25/15/49/599251549.db2.gz AFORPUZAFCNRTF-AWEZNQCLSA-N -1 3 395.427 0.324 20 0 GCADHM NC(=O)c1cc(C(=O)Nc2ccncc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC000737754074 599252829 /nfs/dbraw/zinc/25/28/29/599252829.db2.gz CDZCGTINGOTFRN-UHFFFAOYSA-N -1 3 375.352 0.221 20 0 GCADHM NC(=O)c1cc(C(=O)Nc2ccncc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC000737754074 599252831 /nfs/dbraw/zinc/25/28/31/599252831.db2.gz CDZCGTINGOTFRN-UHFFFAOYSA-N -1 3 375.352 0.221 20 0 GCADHM O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccncc1-c1nnn[n-]1 ZINC000737921032 599254127 /nfs/dbraw/zinc/25/41/27/599254127.db2.gz VGROIAMLAGSJGE-UHFFFAOYSA-N -1 3 379.380 0.828 20 0 GCADHM O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccncc1-c1nn[n-]n1 ZINC000737921032 599254129 /nfs/dbraw/zinc/25/41/29/599254129.db2.gz VGROIAMLAGSJGE-UHFFFAOYSA-N -1 3 379.380 0.828 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821636044 607289622 /nfs/dbraw/zinc/28/96/22/607289622.db2.gz CMJZQPRDWIOQIZ-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821636044 607289623 /nfs/dbraw/zinc/28/96/23/607289623.db2.gz CMJZQPRDWIOQIZ-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM Cc1c(NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cccc1-c1nnn[n-]1 ZINC000822096424 607291910 /nfs/dbraw/zinc/29/19/10/607291910.db2.gz MNVFMGROXNAGJH-DYZYQPBXSA-N -1 3 384.400 0.675 20 0 GCADHM Cc1c(NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cccc1-c1nn[n-]n1 ZINC000822096424 607291911 /nfs/dbraw/zinc/29/19/11/607291911.db2.gz MNVFMGROXNAGJH-DYZYQPBXSA-N -1 3 384.400 0.675 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCc2ncccc21 ZINC000820446654 607293620 /nfs/dbraw/zinc/29/36/20/607293620.db2.gz WMKHHFWJATYJLC-NSHDSACASA-N -1 3 399.436 0.518 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCc2ncccc21 ZINC000820446654 607293621 /nfs/dbraw/zinc/29/36/21/607293621.db2.gz WMKHHFWJATYJLC-NSHDSACASA-N -1 3 399.436 0.518 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000819788813 607293747 /nfs/dbraw/zinc/29/37/47/607293747.db2.gz HNIKGGSYAUGYSC-HNNXBMFYSA-N -1 3 396.411 0.821 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000819788813 607293748 /nfs/dbraw/zinc/29/37/48/607293748.db2.gz HNIKGGSYAUGYSC-HNNXBMFYSA-N -1 3 396.411 0.821 20 0 GCADHM O=C(CCCC(=O)N[C@H]1CCS(=O)(=O)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000822955210 607299206 /nfs/dbraw/zinc/29/92/06/607299206.db2.gz MJKRDINEDHAARY-NSHDSACASA-N -1 3 392.441 0.279 20 0 GCADHM O=C(CCCC(=O)N[C@H]1CCS(=O)(=O)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000822955210 607299207 /nfs/dbraw/zinc/29/92/07/607299207.db2.gz MJKRDINEDHAARY-NSHDSACASA-N -1 3 392.441 0.279 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820307089 607299518 /nfs/dbraw/zinc/29/95/18/607299518.db2.gz IEKOHOFAQIOFIM-GFCCVEGCSA-N -1 3 383.416 0.772 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820307089 607299519 /nfs/dbraw/zinc/29/95/19/607299519.db2.gz IEKOHOFAQIOFIM-GFCCVEGCSA-N -1 3 383.416 0.772 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NCCN1C(=O)CCC1=O ZINC000822954953 607300832 /nfs/dbraw/zinc/30/08/32/607300832.db2.gz GNQBLOWZHIKQQL-UHFFFAOYSA-N -1 3 399.411 0.241 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NCCN1C(=O)CCC1=O ZINC000822954953 607300833 /nfs/dbraw/zinc/30/08/33/607300833.db2.gz GNQBLOWZHIKQQL-UHFFFAOYSA-N -1 3 399.411 0.241 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823219210 607301198 /nfs/dbraw/zinc/30/11/98/607301198.db2.gz HXBZWMQXHSTJAN-UHFFFAOYSA-N -1 3 399.864 0.364 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823219210 607301199 /nfs/dbraw/zinc/30/11/99/607301199.db2.gz HXBZWMQXHSTJAN-UHFFFAOYSA-N -1 3 399.864 0.364 20 0 GCADHM CN(C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C)C1=O ZINC000821621680 607301311 /nfs/dbraw/zinc/30/13/11/607301311.db2.gz BOZVUVYNNFDQHU-CQSZACIVSA-N -1 3 385.428 0.665 20 0 GCADHM CN(C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@@H]1CCN(C)C1=O ZINC000821621680 607301312 /nfs/dbraw/zinc/30/13/12/607301312.db2.gz BOZVUVYNNFDQHU-CQSZACIVSA-N -1 3 385.428 0.665 20 0 GCADHM COCCCS(=O)(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821688645 607307392 /nfs/dbraw/zinc/30/73/92/607307392.db2.gz SZQHVHWCMZKCCQ-UHFFFAOYSA-N -1 3 384.437 0.494 20 0 GCADHM COCCCS(=O)(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821688645 607307393 /nfs/dbraw/zinc/30/73/93/607307393.db2.gz SZQHVHWCMZKCCQ-UHFFFAOYSA-N -1 3 384.437 0.494 20 0 GCADHM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736010187 599264054 /nfs/dbraw/zinc/26/40/54/599264054.db2.gz OMMGLGCNUFLALS-AWEZNQCLSA-N -1 3 393.455 0.597 20 0 GCADHM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736010187 599264056 /nfs/dbraw/zinc/26/40/56/599264056.db2.gz OMMGLGCNUFLALS-AWEZNQCLSA-N -1 3 393.455 0.597 20 0 GCADHM C[C@@H]1Oc2ccc(NC[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2NC1=O ZINC000820821341 607308733 /nfs/dbraw/zinc/30/87/33/607308733.db2.gz SHTNWLZMSKXCAG-UWVGGRQHSA-N -1 3 381.400 0.936 20 0 GCADHM C[C@@H]1Oc2ccc(NC[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2NC1=O ZINC000820821341 607308734 /nfs/dbraw/zinc/30/87/34/607308734.db2.gz SHTNWLZMSKXCAG-UWVGGRQHSA-N -1 3 381.400 0.936 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000821612398 607308865 /nfs/dbraw/zinc/30/88/65/607308865.db2.gz UBVUOEMRXCLNBE-CYBMUJFWSA-N -1 3 380.474 0.789 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000821612398 607308866 /nfs/dbraw/zinc/30/88/66/607308866.db2.gz UBVUOEMRXCLNBE-CYBMUJFWSA-N -1 3 380.474 0.789 20 0 GCADHM COc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1OCC(N)=O ZINC000821835030 607308933 /nfs/dbraw/zinc/30/89/33/607308933.db2.gz BJTCXEJYPQIUJE-SNVBAGLBSA-N -1 3 399.415 0.090 20 0 GCADHM COc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1OCC(N)=O ZINC000821835030 607308934 /nfs/dbraw/zinc/30/89/34/607308934.db2.gz BJTCXEJYPQIUJE-SNVBAGLBSA-N -1 3 399.415 0.090 20 0 GCADHM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736009264 599264209 /nfs/dbraw/zinc/26/42/09/599264209.db2.gz GDZNLUZKNKHVFL-CQSZACIVSA-N -1 3 393.455 0.597 20 0 GCADHM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736009264 599264211 /nfs/dbraw/zinc/26/42/11/599264211.db2.gz GDZNLUZKNKHVFL-CQSZACIVSA-N -1 3 393.455 0.597 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000821608376 607309130 /nfs/dbraw/zinc/30/91/30/607309130.db2.gz DKKAZVSUNYEXMZ-ZDUSSCGKSA-N -1 3 380.474 0.789 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000821608376 607309131 /nfs/dbraw/zinc/30/91/31/607309131.db2.gz DKKAZVSUNYEXMZ-ZDUSSCGKSA-N -1 3 380.474 0.789 20 0 GCADHM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736010188 599264279 /nfs/dbraw/zinc/26/42/79/599264279.db2.gz OMMGLGCNUFLALS-CQSZACIVSA-N -1 3 393.455 0.597 20 0 GCADHM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736010188 599264280 /nfs/dbraw/zinc/26/42/80/599264280.db2.gz OMMGLGCNUFLALS-CQSZACIVSA-N -1 3 393.455 0.597 20 0 GCADHM O=C1NCCN1c1cccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000823547359 607310315 /nfs/dbraw/zinc/31/03/15/607310315.db2.gz JDTZLIMCRLTAFL-NSHDSACASA-N -1 3 380.416 0.747 20 0 GCADHM O=C1NCCN1c1cccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000823547359 607310316 /nfs/dbraw/zinc/31/03/16/607310316.db2.gz JDTZLIMCRLTAFL-NSHDSACASA-N -1 3 380.416 0.747 20 0 GCADHM Cc1c(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cccc1-n1cnnn1 ZINC000822122080 607310732 /nfs/dbraw/zinc/31/07/32/607310732.db2.gz JSPPYBHXKPYPDB-LLVKDONJSA-N -1 3 378.404 0.501 20 0 GCADHM Cc1c(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cccc1-n1cnnn1 ZINC000822122080 607310733 /nfs/dbraw/zinc/31/07/33/607310733.db2.gz JSPPYBHXKPYPDB-LLVKDONJSA-N -1 3 378.404 0.501 20 0 GCADHM NC(=O)CSc1ccccc1NC[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000822873757 607310879 /nfs/dbraw/zinc/31/08/79/607310879.db2.gz ICHNSCLVESIJDM-JTQLQIEISA-N -1 3 385.457 0.794 20 0 GCADHM NC(=O)CSc1ccccc1NC[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000822873757 607310880 /nfs/dbraw/zinc/31/08/80/607310880.db2.gz ICHNSCLVESIJDM-JTQLQIEISA-N -1 3 385.457 0.794 20 0 GCADHM COc1ccc(C(=O)N(C)C)cc1NC[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821768953 607313112 /nfs/dbraw/zinc/31/31/12/607313112.db2.gz BSOJYURBWCWKKA-NSHDSACASA-N -1 3 397.443 0.927 20 0 GCADHM COc1ccc(C(=O)N(C)C)cc1NC[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821768953 607313113 /nfs/dbraw/zinc/31/31/13/607313113.db2.gz BSOJYURBWCWKKA-NSHDSACASA-N -1 3 397.443 0.927 20 0 GCADHM CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000818207557 597521399 /nfs/dbraw/zinc/52/13/99/597521399.db2.gz JUTQYQLGEOOVLY-MRXNPFEDSA-N -1 3 388.468 0.696 20 0 GCADHM O=C([O-])[C@H]1CCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000819287379 597537099 /nfs/dbraw/zinc/53/70/99/597537099.db2.gz SGJYQCZTUXGLDD-OXJNMPFZSA-N -1 3 386.452 0.937 20 0 GCADHM COCCN(CC1CCOCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736994074 599268797 /nfs/dbraw/zinc/26/87/97/599268797.db2.gz CTWGSROZDZYLHS-UHFFFAOYSA-N -1 3 381.458 0.930 20 0 GCADHM COCCN(CC1CCOCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736994074 599268799 /nfs/dbraw/zinc/26/87/99/599268799.db2.gz CTWGSROZDZYLHS-UHFFFAOYSA-N -1 3 381.458 0.930 20 0 GCADHM NC(=O)CCNC(=O)c1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737746520 599270009 /nfs/dbraw/zinc/27/00/09/599270009.db2.gz IIOLTIDZUHUWRK-UHFFFAOYSA-N -1 3 395.423 0.963 20 0 GCADHM COC[C@H](C)S(=O)(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736968370 599272108 /nfs/dbraw/zinc/27/21/08/599272108.db2.gz GGRYUZPNCJYXBQ-AWEZNQCLSA-N -1 3 394.501 0.739 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)c1cc(-c3nnn[n-]3)ccc1C)C2 ZINC000736888250 599273205 /nfs/dbraw/zinc/27/32/05/599273205.db2.gz WWYRYFWYUQDQDA-UHFFFAOYSA-N -1 3 386.441 0.754 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)c1cc(-c3nn[n-]n3)ccc1C)C2 ZINC000736888250 599273206 /nfs/dbraw/zinc/27/32/06/599273206.db2.gz WWYRYFWYUQDQDA-UHFFFAOYSA-N -1 3 386.441 0.754 20 0 GCADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737161498 599275865 /nfs/dbraw/zinc/27/58/65/599275865.db2.gz LHFPYXOILLCMEN-ZDUSSCGKSA-N -1 3 383.455 0.192 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000736170872 599276009 /nfs/dbraw/zinc/27/60/09/599276009.db2.gz SFSAGFWWVQCPSJ-DOMZBBRYSA-N -1 3 384.400 0.153 20 0 GCADHM CS(=O)(=O)CCC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000821927403 607319489 /nfs/dbraw/zinc/31/94/89/607319489.db2.gz VKCGWIPKLZKADS-UHFFFAOYSA-N -1 3 375.414 0.308 20 0 GCADHM CS(=O)(=O)CCC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000821927403 607319490 /nfs/dbraw/zinc/31/94/90/607319490.db2.gz VKCGWIPKLZKADS-UHFFFAOYSA-N -1 3 375.414 0.308 20 0 GCADHM Cc1nsc(N2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737548530 599279634 /nfs/dbraw/zinc/27/96/34/599279634.db2.gz SMYYSMYTLKQKJC-UHFFFAOYSA-N -1 3 386.441 0.754 20 0 GCADHM CO[C@@H](C)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821673524 607320131 /nfs/dbraw/zinc/32/01/31/607320131.db2.gz DPYAHXJXEVOWAW-GWCFXTLKSA-N -1 3 388.384 0.650 20 0 GCADHM CO[C@@H](C)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821673524 607320132 /nfs/dbraw/zinc/32/01/32/607320132.db2.gz DPYAHXJXEVOWAW-GWCFXTLKSA-N -1 3 388.384 0.650 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000737470944 599289732 /nfs/dbraw/zinc/28/97/32/599289732.db2.gz DWCOWTYHXFOEKH-GOEBONIOSA-N -1 3 397.443 0.291 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000737470944 599289733 /nfs/dbraw/zinc/28/97/33/599289733.db2.gz DWCOWTYHXFOEKH-GOEBONIOSA-N -1 3 397.443 0.291 20 0 GCADHM O=C1[C@@H](NCc2nnc3n2CCCC3)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738298781 599289826 /nfs/dbraw/zinc/28/98/26/599289826.db2.gz XZIIUEKAROSLMT-AWEZNQCLSA-N -1 3 379.428 0.690 20 0 GCADHM O=C1[C@@H](NCc2nnc3n2CCCC3)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738298781 599289827 /nfs/dbraw/zinc/28/98/27/599289827.db2.gz XZIIUEKAROSLMT-AWEZNQCLSA-N -1 3 379.428 0.690 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCc1cn[nH]c1 ZINC000820450583 607321584 /nfs/dbraw/zinc/32/15/84/607321584.db2.gz NDZFOYYKVWJFMW-JTQLQIEISA-N -1 3 391.413 0.043 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCc1cn[nH]c1 ZINC000820450583 607321585 /nfs/dbraw/zinc/32/15/85/607321585.db2.gz NDZFOYYKVWJFMW-JTQLQIEISA-N -1 3 391.413 0.043 20 0 GCADHM Cc1c[nH]c(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822394860 607324164 /nfs/dbraw/zinc/32/41/64/607324164.db2.gz KQGWQYLQDLFABC-LBPRGKRZSA-N -1 3 395.383 0.742 20 0 GCADHM NC(=O)COCCNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000822869527 607324175 /nfs/dbraw/zinc/32/41/75/607324175.db2.gz YVNHPQKXXOYWNK-UHFFFAOYSA-N -1 3 396.407 0.677 20 0 GCADHM NC(=O)COCCNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000822869527 607324176 /nfs/dbraw/zinc/32/41/76/607324176.db2.gz YVNHPQKXXOYWNK-UHFFFAOYSA-N -1 3 396.407 0.677 20 0 GCADHM CN(C[C@@H]1CN(CCOc2ccccc2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000736792922 599292361 /nfs/dbraw/zinc/29/23/61/599292361.db2.gz USCZECBCISNMDN-OAHLLOKOSA-N -1 3 396.455 0.873 20 0 GCADHM CN(C[C@@H]1CN(CCOc2ccccc2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000736792922 599292363 /nfs/dbraw/zinc/29/23/63/599292363.db2.gz USCZECBCISNMDN-OAHLLOKOSA-N -1 3 396.455 0.873 20 0 GCADHM O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823252961 607332853 /nfs/dbraw/zinc/33/28/53/607332853.db2.gz BMVQTZUQYRWWHL-UHFFFAOYSA-N -1 3 384.327 0.989 20 0 GCADHM O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823252961 607332854 /nfs/dbraw/zinc/33/28/54/607332854.db2.gz BMVQTZUQYRWWHL-UHFFFAOYSA-N -1 3 384.327 0.989 20 0 GCADHM O=C(NC[C@@H](O)c1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823165972 607333706 /nfs/dbraw/zinc/33/37/06/607333706.db2.gz COOIXNGMQZUAQM-CQSZACIVSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@@H](O)c1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823165972 607333707 /nfs/dbraw/zinc/33/37/07/607333707.db2.gz COOIXNGMQZUAQM-CQSZACIVSA-N -1 3 388.334 0.933 20 0 GCADHM Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000822704543 607334180 /nfs/dbraw/zinc/33/41/80/607334180.db2.gz MPFKTPUUCNHIHV-NSHDSACASA-N -1 3 399.390 0.479 20 0 GCADHM Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000822704543 607334182 /nfs/dbraw/zinc/33/41/82/607334182.db2.gz MPFKTPUUCNHIHV-NSHDSACASA-N -1 3 399.390 0.479 20 0 GCADHM NC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000822865177 607334417 /nfs/dbraw/zinc/33/44/17/607334417.db2.gz XGNQKMIWPRLLBW-UHFFFAOYSA-N -1 3 375.364 0.058 20 0 GCADHM NC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000822865177 607334419 /nfs/dbraw/zinc/33/44/19/607334419.db2.gz XGNQKMIWPRLLBW-UHFFFAOYSA-N -1 3 375.364 0.058 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820876051 607335423 /nfs/dbraw/zinc/33/54/23/607335423.db2.gz KWDABWVTENRKNY-BDAKNGLRSA-N -1 3 377.380 0.364 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820876051 607335424 /nfs/dbraw/zinc/33/54/24/607335424.db2.gz KWDABWVTENRKNY-BDAKNGLRSA-N -1 3 377.380 0.364 20 0 GCADHM C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)N1CCOCC1 ZINC000820316962 607336629 /nfs/dbraw/zinc/33/66/29/607336629.db2.gz YDYGHBZDLMPQTI-WDEREUQCSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)N1CCOCC1 ZINC000820316962 607336631 /nfs/dbraw/zinc/33/66/31/607336631.db2.gz YDYGHBZDLMPQTI-WDEREUQCSA-N -1 3 391.407 0.170 20 0 GCADHM CC(=O)NC1CCC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000819803580 607336660 /nfs/dbraw/zinc/33/66/60/607336660.db2.gz NPIVTUCTLWAOCM-UHFFFAOYSA-N -1 3 389.391 0.508 20 0 GCADHM CC(=O)NC1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000819803580 607336662 /nfs/dbraw/zinc/33/66/62/607336662.db2.gz NPIVTUCTLWAOCM-UHFFFAOYSA-N -1 3 389.391 0.508 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000820467595 607338527 /nfs/dbraw/zinc/33/85/27/607338527.db2.gz KHPIJHWPOTXTPZ-SFHVURJKSA-N -1 3 384.371 0.968 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820467595 607338529 /nfs/dbraw/zinc/33/85/29/607338529.db2.gz KHPIJHWPOTXTPZ-SFHVURJKSA-N -1 3 384.371 0.968 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000820128985 607338788 /nfs/dbraw/zinc/33/87/88/607338788.db2.gz UCXCIHKNQDTBPP-LBPRGKRZSA-N -1 3 375.364 0.070 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000820128985 607338789 /nfs/dbraw/zinc/33/87/89/607338789.db2.gz 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O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000823323392 607340765 /nfs/dbraw/zinc/34/07/65/607340765.db2.gz MLFZQZSDRLWKRG-GFCCVEGCSA-N -1 3 384.375 0.832 20 0 GCADHM O=C(NCC[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823182986 607340947 /nfs/dbraw/zinc/34/09/47/607340947.db2.gz QSYQBUZXEZPESE-SECBINFHSA-N -1 3 376.270 0.374 20 0 GCADHM O=C(NCC[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823182986 607340949 /nfs/dbraw/zinc/34/09/49/607340949.db2.gz QSYQBUZXEZPESE-SECBINFHSA-N -1 3 376.270 0.374 20 0 GCADHM CNC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821631812 607341952 /nfs/dbraw/zinc/34/19/52/607341952.db2.gz UJCSCQYNIYQXFZ-UHFFFAOYSA-N -1 3 389.391 0.319 20 0 GCADHM CNC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821631812 607341953 /nfs/dbraw/zinc/34/19/53/607341953.db2.gz UJCSCQYNIYQXFZ-UHFFFAOYSA-N -1 3 389.391 0.319 20 0 GCADHM O=C(NC[C@H](CO)c1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823160710 607343981 /nfs/dbraw/zinc/34/39/81/607343981.db2.gz FZMNYSRSDRFXKB-CYBMUJFWSA-N -1 3 384.371 0.837 20 0 GCADHM O=C(NC[C@H](CO)c1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823160710 607343983 /nfs/dbraw/zinc/34/39/83/607343983.db2.gz FZMNYSRSDRFXKB-CYBMUJFWSA-N -1 3 384.371 0.837 20 0 GCADHM CCOC(=O)CN1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000736595696 598231191 /nfs/dbraw/zinc/23/11/91/598231191.db2.gz MJFGYMDHWBEAOG-HJWRWDBZSA-N -1 3 384.440 0.977 20 0 GCADHM CCOC(=O)CN1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736595696 598231193 /nfs/dbraw/zinc/23/11/93/598231193.db2.gz MJFGYMDHWBEAOG-HJWRWDBZSA-N -1 3 384.440 0.977 20 0 GCADHM Cn1nc(C(=O)N2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)ccc1=O ZINC000737623121 598236701 /nfs/dbraw/zinc/23/67/01/598236701.db2.gz PPVTXZZDJDVLDY-UHFFFAOYSA-N -1 3 381.396 0.644 20 0 GCADHM Cn1nc(C(=O)N2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)ccc1=O ZINC000737623121 598236702 /nfs/dbraw/zinc/23/67/02/598236702.db2.gz PPVTXZZDJDVLDY-UHFFFAOYSA-N -1 3 381.396 0.644 20 0 GCADHM O=C(CN1CSCC1=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737883029 598237322 /nfs/dbraw/zinc/23/73/22/598237322.db2.gz BWMDMKDJIASTHM-UHFFFAOYSA-N -1 3 388.453 0.769 20 0 GCADHM O=C(CN1CSCC1=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737883029 598237324 /nfs/dbraw/zinc/23/73/24/598237324.db2.gz BWMDMKDJIASTHM-UHFFFAOYSA-N -1 3 388.453 0.769 20 0 GCADHM C[C@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736229969 598247376 /nfs/dbraw/zinc/24/73/76/598247376.db2.gz PVIZQCMSGURSIM-VIFPVBQESA-N -1 3 375.458 0.566 20 0 GCADHM C[C@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736229969 598247378 /nfs/dbraw/zinc/24/73/78/598247378.db2.gz PVIZQCMSGURSIM-VIFPVBQESA-N -1 3 375.458 0.566 20 0 GCADHM COCCCNC(=O)CN(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736984729 598249868 /nfs/dbraw/zinc/24/98/68/598249868.db2.gz AMEAQBDGGKXQSN-HNNXBMFYSA-N -1 3 387.444 0.057 20 0 GCADHM COCCCNC(=O)CN(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736984729 598249869 /nfs/dbraw/zinc/24/98/69/598249869.db2.gz AMEAQBDGGKXQSN-HNNXBMFYSA-N -1 3 387.444 0.057 20 0 GCADHM COCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989516 598252360 /nfs/dbraw/zinc/25/23/60/598252360.db2.gz DBBNZKBKXCUIAZ-UHFFFAOYSA-N -1 3 397.457 0.846 20 0 GCADHM COCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989516 598252362 /nfs/dbraw/zinc/25/23/62/598252362.db2.gz DBBNZKBKXCUIAZ-UHFFFAOYSA-N -1 3 397.457 0.846 20 0 GCADHM CCOCCCNC(=O)[C@H](C)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736615020 598253328 /nfs/dbraw/zinc/25/33/28/598253328.db2.gz JQAALGFQIXVQKQ-HNNXBMFYSA-N -1 3 387.488 0.920 20 0 GCADHM CCOCCCNC(=O)[C@H](C)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736615020 598253330 /nfs/dbraw/zinc/25/33/30/598253330.db2.gz JQAALGFQIXVQKQ-HNNXBMFYSA-N -1 3 387.488 0.920 20 0 GCADHM O=C1CCCN1C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000738303926 598254586 /nfs/dbraw/zinc/25/45/86/598254586.db2.gz UNIIUUFWVRTEJK-UHFFFAOYSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000738303926 598254588 /nfs/dbraw/zinc/25/45/88/598254588.db2.gz UNIIUUFWVRTEJK-UHFFFAOYSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738303461 598254840 /nfs/dbraw/zinc/25/48/40/598254840.db2.gz QQBXBWIVZKYUPS-UHFFFAOYSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738303461 598254842 /nfs/dbraw/zinc/25/48/42/598254842.db2.gz QQBXBWIVZKYUPS-UHFFFAOYSA-N -1 3 376.442 0.642 20 0 GCADHM CN(C)c1nc(N)nc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC000736780362 598256160 /nfs/dbraw/zinc/25/61/60/598256160.db2.gz UWHDPOAGUKBKTK-UHFFFAOYSA-N -1 3 399.438 0.161 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736413019 598257372 /nfs/dbraw/zinc/25/73/72/598257372.db2.gz RZOPVLCCONGEAC-INIZCTEOSA-N -1 3 385.472 0.864 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736413019 598257373 /nfs/dbraw/zinc/25/73/73/598257373.db2.gz RZOPVLCCONGEAC-INIZCTEOSA-N -1 3 385.472 0.864 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)Nc2nn3cnnc3s2)cc1 ZINC000737778034 598257682 /nfs/dbraw/zinc/25/76/82/598257682.db2.gz VXECKRQTNCWESL-UHFFFAOYSA-N -1 3 394.384 0.386 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)Nc2nn3cnnc3s2)cc1 ZINC000737778034 598257683 /nfs/dbraw/zinc/25/76/83/598257683.db2.gz VXECKRQTNCWESL-UHFFFAOYSA-N -1 3 394.384 0.386 20 0 GCADHM CCCNC(=O)CCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736483197 598258499 /nfs/dbraw/zinc/25/84/99/598258499.db2.gz GVYVGPLOWODCQS-UHFFFAOYSA-N -1 3 386.460 0.607 20 0 GCADHM CCCNC(=O)CCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736483197 598258500 /nfs/dbraw/zinc/25/85/00/598258500.db2.gz GVYVGPLOWODCQS-UHFFFAOYSA-N -1 3 386.460 0.607 20 0 GCADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CN1CCN(c2cccnn2)CC1 ZINC000738389404 598258853 /nfs/dbraw/zinc/25/88/53/598258853.db2.gz WSNTVNPMZYMESL-OAHLLOKOSA-N -1 3 382.428 0.219 20 0 GCADHM C[C@@H]1C(=O)NCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736228265 598259976 /nfs/dbraw/zinc/25/99/76/598259976.db2.gz HXFNKKXGHZSXFW-LLVKDONJSA-N -1 3 382.380 0.999 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000737024525 598260222 /nfs/dbraw/zinc/26/02/22/598260222.db2.gz SQSIWFVLFKUCNV-HNNXBMFYSA-N -1 3 383.408 0.974 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000737024525 598260223 /nfs/dbraw/zinc/26/02/23/598260223.db2.gz SQSIWFVLFKUCNV-HNNXBMFYSA-N -1 3 383.408 0.974 20 0 GCADHM O=S(=O)(C[C@@H]1CCCO1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738316912 598266143 /nfs/dbraw/zinc/26/61/43/598266143.db2.gz HGNFVSVQOPWNTR-AWEZNQCLSA-N -1 3 392.485 0.888 20 0 GCADHM O=S(=O)(C[C@@H]1CCCO1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738316912 598266144 /nfs/dbraw/zinc/26/61/44/598266144.db2.gz HGNFVSVQOPWNTR-AWEZNQCLSA-N -1 3 392.485 0.888 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@H](C)N1CCOCC1 ZINC000736119924 598268587 /nfs/dbraw/zinc/26/85/87/598268587.db2.gz WUXRLTCFNQYNST-OLZOCXBDSA-N -1 3 389.464 0.082 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@H](C)N1CCOCC1 ZINC000736119924 598268588 /nfs/dbraw/zinc/26/85/88/598268588.db2.gz WUXRLTCFNQYNST-OLZOCXBDSA-N -1 3 389.464 0.082 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N1CCNC(=O)CC1 ZINC000738303057 598269903 /nfs/dbraw/zinc/26/99/03/598269903.db2.gz AAOXWPFIQLGGKM-UHFFFAOYSA-N -1 3 375.458 0.631 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N1CCNC(=O)CC1 ZINC000738303057 598269904 /nfs/dbraw/zinc/26/99/04/598269904.db2.gz AAOXWPFIQLGGKM-UHFFFAOYSA-N -1 3 375.458 0.631 20 0 GCADHM COc1c(C)cnc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1C ZINC000737024969 598270994 /nfs/dbraw/zinc/27/09/94/598270994.db2.gz JNMVXNNFHNRRRH-UHFFFAOYSA-N -1 3 375.414 0.761 20 0 GCADHM COc1c(C)cnc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1C ZINC000737024969 598270995 /nfs/dbraw/zinc/27/09/95/598270995.db2.gz JNMVXNNFHNRRRH-UHFFFAOYSA-N -1 3 375.414 0.761 20 0 GCADHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000737242004 598271075 /nfs/dbraw/zinc/27/10/75/598271075.db2.gz TZVJFIVXPDZARC-WDEREUQCSA-N -1 3 396.498 0.662 20 0 GCADHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 ZINC000737242004 598271076 /nfs/dbraw/zinc/27/10/76/598271076.db2.gz TZVJFIVXPDZARC-WDEREUQCSA-N -1 3 396.498 0.662 20 0 GCADHM Cc1cccnc1CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737434420 598272842 /nfs/dbraw/zinc/27/28/42/598272842.db2.gz JOZVCZVMGBZVBY-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM Cc1cccnc1CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737434420 598272843 /nfs/dbraw/zinc/27/28/43/598272843.db2.gz JOZVCZVMGBZVBY-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM O=C(NCc1cccc(CO)c1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738115508 598273561 /nfs/dbraw/zinc/27/35/61/598273561.db2.gz CTBNUWKIELUTSQ-UHFFFAOYSA-N -1 3 394.439 0.786 20 0 GCADHM O=C(NCc1cccc(CO)c1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738115508 598273563 /nfs/dbraw/zinc/27/35/63/598273563.db2.gz CTBNUWKIELUTSQ-UHFFFAOYSA-N -1 3 394.439 0.786 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000736411519 598273996 /nfs/dbraw/zinc/27/39/96/598273996.db2.gz KKCREYHCFYJVOB-LBPRGKRZSA-N -1 3 378.458 0.936 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000736411519 598273997 /nfs/dbraw/zinc/27/39/97/598273997.db2.gz KKCREYHCFYJVOB-LBPRGKRZSA-N -1 3 378.458 0.936 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCN1CCCS1(=O)=O ZINC000735661537 598280489 /nfs/dbraw/zinc/28/04/89/598280489.db2.gz UFPQDKHJWOTGBR-UHFFFAOYSA-N -1 3 396.477 0.580 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCN1CCCS1(=O)=O ZINC000735661537 598280490 /nfs/dbraw/zinc/28/04/90/598280490.db2.gz UFPQDKHJWOTGBR-UHFFFAOYSA-N -1 3 396.477 0.580 20 0 GCADHM Cc1nccc(CNC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000737499723 598282857 /nfs/dbraw/zinc/28/28/57/598282857.db2.gz MXVIEMCEVDVAEY-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM Cc1nccc(CNC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000737499723 598282858 /nfs/dbraw/zinc/28/28/58/598282858.db2.gz MXVIEMCEVDVAEY-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM CC(C)(CO)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819984425 607347305 /nfs/dbraw/zinc/34/73/05/607347305.db2.gz VTMAPPKEZJBVGV-UHFFFAOYSA-N -1 3 386.334 0.959 20 0 GCADHM CC(C)(CO)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819984425 607347306 /nfs/dbraw/zinc/34/73/06/607347306.db2.gz VTMAPPKEZJBVGV-UHFFFAOYSA-N -1 3 386.334 0.959 20 0 GCADHM O=C(NC[C@H]1COCCO1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738051341 598284484 /nfs/dbraw/zinc/28/44/84/598284484.db2.gz LXZGVGIEBNEPPX-ZDUSSCGKSA-N -1 3 391.407 0.253 20 0 GCADHM O=C(NC[C@@H]1COCCO1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738051340 598284486 /nfs/dbraw/zinc/28/44/86/598284486.db2.gz LXZGVGIEBNEPPX-CYBMUJFWSA-N -1 3 391.407 0.253 20 0 GCADHM CC(=O)NC1CCC(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000735475766 598285117 /nfs/dbraw/zinc/28/51/17/598285117.db2.gz SICHTUQKDRSRLO-UHFFFAOYSA-N -1 3 387.448 0.420 20 0 GCADHM CC(=O)NC1CCC(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000735475766 598285118 /nfs/dbraw/zinc/28/51/18/598285118.db2.gz SICHTUQKDRSRLO-UHFFFAOYSA-N -1 3 387.448 0.420 20 0 GCADHM Cc1nccn1CCCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737498989 598285451 /nfs/dbraw/zinc/28/54/51/598285451.db2.gz IIKYSYSYUQUEND-UHFFFAOYSA-N -1 3 381.444 0.896 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737899047 598288909 /nfs/dbraw/zinc/28/89/09/598288909.db2.gz AFUVCXLSQJBUQK-UHFFFAOYSA-N -1 3 390.425 0.859 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)Nc1sccc1-c1nn[n-]n1 ZINC000737899047 598288910 /nfs/dbraw/zinc/28/89/10/598288910.db2.gz AFUVCXLSQJBUQK-UHFFFAOYSA-N -1 3 390.425 0.859 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737899846 598289370 /nfs/dbraw/zinc/28/93/70/598289370.db2.gz GUJJBFGSIIZMSD-UHFFFAOYSA-N -1 3 398.423 0.475 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737899846 598289372 /nfs/dbraw/zinc/28/93/72/598289372.db2.gz GUJJBFGSIIZMSD-UHFFFAOYSA-N -1 3 398.423 0.475 20 0 GCADHM CC(C)[C@H](C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000735693051 598291067 /nfs/dbraw/zinc/29/10/67/598291067.db2.gz VUWKPHKZMZHNPS-MRXNPFEDSA-N -1 3 386.412 0.995 20 0 GCADHM CC(C)[C@H](C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000735693051 598291069 /nfs/dbraw/zinc/29/10/69/598291069.db2.gz VUWKPHKZMZHNPS-MRXNPFEDSA-N -1 3 386.412 0.995 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCNS(C)(=O)=O ZINC000735734911 598291586 /nfs/dbraw/zinc/29/15/86/598291586.db2.gz KMIBBPRVOCXYSQ-ZDUSSCGKSA-N -1 3 383.430 0.363 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCNS(C)(=O)=O ZINC000735734911 598291588 /nfs/dbraw/zinc/29/15/88/598291588.db2.gz KMIBBPRVOCXYSQ-ZDUSSCGKSA-N -1 3 383.430 0.363 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000737288125 598292304 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CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735623301 598299810 /nfs/dbraw/zinc/29/98/10/598299810.db2.gz LDCMOMGZXZTHBH-LBPRGKRZSA-N -1 3 396.498 0.845 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735623301 598299820 /nfs/dbraw/zinc/29/98/20/598299820.db2.gz LDCMOMGZXZTHBH-LBPRGKRZSA-N -1 3 396.498 0.845 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735623298 598299961 /nfs/dbraw/zinc/29/99/61/598299961.db2.gz LDCMOMGZXZTHBH-GFCCVEGCSA-N -1 3 396.498 0.845 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735623298 598299962 /nfs/dbraw/zinc/29/99/62/598299962.db2.gz LDCMOMGZXZTHBH-GFCCVEGCSA-N -1 3 396.498 0.845 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736521258 598301123 /nfs/dbraw/zinc/30/11/23/598301123.db2.gz CUQQKRYWIUYKEU-LBPRGKRZSA-N -1 3 396.498 0.799 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736521258 598301124 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0.877 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000737287137 598306134 /nfs/dbraw/zinc/30/61/34/598306134.db2.gz BVNZEXDDFBECOO-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(c2cccnn2)CC1 ZINC000737287137 598306136 /nfs/dbraw/zinc/30/61/36/598306136.db2.gz BVNZEXDDFBECOO-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC000735515230 598306655 /nfs/dbraw/zinc/30/66/55/598306655.db2.gz UNJSOFMCUDBIOJ-LLVKDONJSA-N -1 3 386.391 0.538 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC000735515230 598306657 /nfs/dbraw/zinc/30/66/57/598306657.db2.gz UNJSOFMCUDBIOJ-LLVKDONJSA-N -1 3 386.391 0.538 20 0 GCADHM CS(=O)(=O)CC(=O)OCCOc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000737163406 598308447 /nfs/dbraw/zinc/30/84/47/598308447.db2.gz WXBGGSNATUMSLO-UHFFFAOYSA-N -1 3 377.382 0.382 20 0 GCADHM CS(=O)(=O)CC(=O)OCCOc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000737163406 598308449 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GCADHM CC(C)N1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1=O ZINC000735875519 598312565 /nfs/dbraw/zinc/31/25/65/598312565.db2.gz OCLYXAPMOWKDCN-VIFPVBQESA-N -1 3 384.849 0.808 20 0 GCADHM NC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737758386 598312801 /nfs/dbraw/zinc/31/28/01/598312801.db2.gz KIFJOTLEUSQYQF-UHFFFAOYSA-N -1 3 385.837 0.295 20 0 GCADHM NC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737758386 598312803 /nfs/dbraw/zinc/31/28/03/598312803.db2.gz KIFJOTLEUSQYQF-UHFFFAOYSA-N -1 3 385.837 0.295 20 0 GCADHM CS(=O)(=O)N1CCC(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737167251 598318010 /nfs/dbraw/zinc/31/80/10/598318010.db2.gz UUOLVBPBKZKMRV-UHFFFAOYSA-N -1 3 397.436 0.229 20 0 GCADHM CS(=O)(=O)N1CCC(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737167251 598318012 /nfs/dbraw/zinc/31/80/12/598318012.db2.gz UUOLVBPBKZKMRV-UHFFFAOYSA-N -1 3 397.436 0.229 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735892389 598320264 /nfs/dbraw/zinc/32/02/64/598320264.db2.gz HPVKFPSTAYDFEW-UHFFFAOYSA-N -1 3 385.425 0.133 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735892389 598320266 /nfs/dbraw/zinc/32/02/66/598320266.db2.gz HPVKFPSTAYDFEW-UHFFFAOYSA-N -1 3 385.425 0.133 20 0 GCADHM O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737980338 598323139 /nfs/dbraw/zinc/32/31/39/598323139.db2.gz CNVFCXGPEWKKOT-UHFFFAOYSA-N -1 3 395.354 0.738 20 0 GCADHM O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737980338 598323140 /nfs/dbraw/zinc/32/31/40/598323140.db2.gz CNVFCXGPEWKKOT-UHFFFAOYSA-N -1 3 395.354 0.738 20 0 GCADHM C[C@@H]1CN(C(=O)c2sccc2-c2nnn[n-]2)CCN1c1nccn2cnnc12 ZINC000820742921 607350073 /nfs/dbraw/zinc/35/00/73/607350073.db2.gz NSYUZZHXPNASED-SNVBAGLBSA-N -1 3 396.440 0.717 20 0 GCADHM C[C@@H]1CN(C(=O)c2sccc2-c2nn[n-]n2)CCN1c1nccn2cnnc12 ZINC000820742921 607350075 /nfs/dbraw/zinc/35/00/75/607350075.db2.gz NSYUZZHXPNASED-SNVBAGLBSA-N -1 3 396.440 0.717 20 0 GCADHM C[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)[C@H](C)N1CCOCC1 ZINC000736119263 598326620 /nfs/dbraw/zinc/32/66/20/598326620.db2.gz RWPNRBWTAVXFHX-NEPJUHHUSA-N -1 3 377.424 0.914 20 0 GCADHM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)[C@H](C)N1CCOCC1 ZINC000736119263 598326621 /nfs/dbraw/zinc/32/66/21/598326621.db2.gz RWPNRBWTAVXFHX-NEPJUHHUSA-N -1 3 377.424 0.914 20 0 GCADHM NC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737761249 598330419 /nfs/dbraw/zinc/33/04/19/598330419.db2.gz RSFAWDKRKFYQFJ-UHFFFAOYSA-N -1 3 383.343 0.360 20 0 GCADHM NC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737761249 598330421 /nfs/dbraw/zinc/33/04/21/598330421.db2.gz RSFAWDKRKFYQFJ-UHFFFAOYSA-N -1 3 383.343 0.360 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000738178748 598331028 /nfs/dbraw/zinc/33/10/28/598331028.db2.gz XWEKMSCCRJPDKJ-UHFFFAOYSA-N -1 3 383.412 0.419 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000738178748 598331030 /nfs/dbraw/zinc/33/10/30/598331030.db2.gz XWEKMSCCRJPDKJ-UHFFFAOYSA-N -1 3 383.412 0.419 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000737744465 598332355 /nfs/dbraw/zinc/33/23/55/598332355.db2.gz KPQRQLXXFSWFNI-AWEZNQCLSA-N -1 3 398.379 0.365 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000737744465 598332357 /nfs/dbraw/zinc/33/23/57/598332357.db2.gz KPQRQLXXFSWFNI-AWEZNQCLSA-N -1 3 398.379 0.365 20 0 GCADHM CN1C[C@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000736848184 598333390 /nfs/dbraw/zinc/33/33/90/598333390.db2.gz ZWYODWPYAPETNU-CYBMUJFWSA-N -1 3 382.380 0.999 20 0 GCADHM CN1C[C@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000736848184 598333391 /nfs/dbraw/zinc/33/33/91/598333391.db2.gz ZWYODWPYAPETNU-CYBMUJFWSA-N -1 3 382.380 0.999 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)[C@@H](C)CO1 ZINC000736285176 598334327 /nfs/dbraw/zinc/33/43/27/598334327.db2.gz IXFQNRJODYXBQU-QWHCGFSZSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)[C@@H](C)CO1 ZINC000736285176 598334329 /nfs/dbraw/zinc/33/43/29/598334329.db2.gz IXFQNRJODYXBQU-QWHCGFSZSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)c2)CCN1c1nccn2cnnc12 ZINC000820743473 607350423 /nfs/dbraw/zinc/35/04/23/607350423.db2.gz UPYNEGXFQCWXAH-GFCCVEGCSA-N -1 3 390.411 0.655 20 0 GCADHM C[C@@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)c2)CCN1c1nccn2cnnc12 ZINC000820743473 607350424 /nfs/dbraw/zinc/35/04/24/607350424.db2.gz UPYNEGXFQCWXAH-GFCCVEGCSA-N -1 3 390.411 0.655 20 0 GCADHM Cc1nnc(N2CCN(c3ccc4nncn4n3)CC2)c(-c2nnn[n-]2)c1C ZINC000737520609 598335065 /nfs/dbraw/zinc/33/50/65/598335065.db2.gz KRMYXZOUWIYPGH-UHFFFAOYSA-N -1 3 378.404 0.038 20 0 GCADHM Cc1nnc(N2CCN(c3ccc4nncn4n3)CC2)c(-c2nn[n-]n2)c1C ZINC000737520609 598335067 /nfs/dbraw/zinc/33/50/67/598335067.db2.gz KRMYXZOUWIYPGH-UHFFFAOYSA-N -1 3 378.404 0.038 20 0 GCADHM COc1ccc(OC)c(CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)c1 ZINC000737109828 598337875 /nfs/dbraw/zinc/33/78/75/598337875.db2.gz NXWBDTQUVXOQQR-UHFFFAOYSA-N -1 3 382.428 0.996 20 0 GCADHM COCCN1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C[C@@H]1C ZINC000737002480 598343518 /nfs/dbraw/zinc/34/35/18/598343518.db2.gz BMUVJWNPCVYQSC-NSHDSACASA-N -1 3 377.449 0.668 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(C[C@H](C)O)[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737553417 598344710 /nfs/dbraw/zinc/34/47/10/598344710.db2.gz VQUOOHWMLVGLFG-MNOVXSKESA-N -1 3 377.449 0.402 20 0 GCADHM c1nnc2ccc(N3CCN(CCOc4cccc(-c5nn[n-]n5)c4)CC3)nn12 ZINC000738418472 598344882 /nfs/dbraw/zinc/34/48/82/598344882.db2.gz JBLUJSMLVLYPAG-UHFFFAOYSA-N -1 3 392.427 0.505 20 0 GCADHM Cc1nnc2n1CCN(C(=O)[C@H]1CCCN1c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737533559 598346225 /nfs/dbraw/zinc/34/62/25/598346225.db2.gz NCPKQNISSXXBGC-OAHLLOKOSA-N -1 3 379.428 0.778 20 0 GCADHM COC(=O)c1ccncc1C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821671348 607352766 /nfs/dbraw/zinc/35/27/66/607352766.db2.gz SCQFVTAEVCYDNN-UHFFFAOYSA-N -1 3 396.363 0.522 20 0 GCADHM COC(=O)c1ccncc1C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821671348 607352767 /nfs/dbraw/zinc/35/27/67/607352767.db2.gz SCQFVTAEVCYDNN-UHFFFAOYSA-N -1 3 396.363 0.522 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000735561773 598352603 /nfs/dbraw/zinc/35/26/03/598352603.db2.gz LNEHLHAEAQMSIV-CZUORRHYSA-N -1 3 382.428 0.791 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000735561773 598352604 /nfs/dbraw/zinc/35/26/04/598352604.db2.gz LNEHLHAEAQMSIV-CZUORRHYSA-N -1 3 382.428 0.791 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000738036936 598352714 /nfs/dbraw/zinc/35/27/14/598352714.db2.gz AKNNNLSOZDXHQR-CQSZACIVSA-N -1 3 381.400 0.052 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000738036936 598352716 /nfs/dbraw/zinc/35/27/16/598352716.db2.gz AKNNNLSOZDXHQR-CQSZACIVSA-N -1 3 381.400 0.052 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000735563350 598352842 /nfs/dbraw/zinc/35/28/42/598352842.db2.gz TYDIVUKFEZJEFS-CHWSQXEVSA-N -1 3 383.416 0.186 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000735563350 598352844 /nfs/dbraw/zinc/35/28/44/598352844.db2.gz TYDIVUKFEZJEFS-CHWSQXEVSA-N -1 3 383.416 0.186 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(CCOc3cccc(-c4nnn[n-]4)c3)CCO2)n1 ZINC000737474732 598353128 /nfs/dbraw/zinc/35/31/28/598353128.db2.gz RRGJDNQPPBOYPN-QGZVFWFLSA-N -1 3 384.444 0.855 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(CCOc3cccc(-c4nn[n-]n4)c3)CCO2)n1 ZINC000737474732 598353129 /nfs/dbraw/zinc/35/31/29/598353129.db2.gz RRGJDNQPPBOYPN-QGZVFWFLSA-N -1 3 384.444 0.855 20 0 GCADHM O=C(CCN1CCO[C@@H](Cn2cncn2)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737845195 598354015 /nfs/dbraw/zinc/35/40/15/598354015.db2.gz XTWIHGAUUDZCAI-OAHLLOKOSA-N -1 3 383.416 0.188 20 0 GCADHM O=C(CCN1CCO[C@H](Cn2cncn2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737843648 598354158 /nfs/dbraw/zinc/35/41/58/598354158.db2.gz LVVRTPCKKOXSBR-HNNXBMFYSA-N -1 3 383.416 0.188 20 0 GCADHM O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737883431 598354190 /nfs/dbraw/zinc/35/41/90/598354190.db2.gz QEGCPHRNSPPBKY-INIZCTEOSA-N -1 3 382.428 0.080 20 0 GCADHM O=C(CN1CCO[C@H](Cn2cccn2)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737883431 598354192 /nfs/dbraw/zinc/35/41/92/598354192.db2.gz QEGCPHRNSPPBKY-INIZCTEOSA-N -1 3 382.428 0.080 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000821406810 607353779 /nfs/dbraw/zinc/35/37/79/607353779.db2.gz KUAZQEPDIQTDSR-HNNXBMFYSA-N -1 3 380.430 0.964 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000821406810 607353781 /nfs/dbraw/zinc/35/37/81/607353781.db2.gz KUAZQEPDIQTDSR-HNNXBMFYSA-N -1 3 380.430 0.964 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000737762343 598358455 /nfs/dbraw/zinc/35/84/55/598358455.db2.gz YUVIVQMCAKBSCZ-UHFFFAOYSA-N -1 3 395.427 0.314 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000737762343 598358456 /nfs/dbraw/zinc/35/84/56/598358456.db2.gz YUVIVQMCAKBSCZ-UHFFFAOYSA-N -1 3 395.427 0.314 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000736167280 598361620 /nfs/dbraw/zinc/36/16/20/598361620.db2.gz DYQSAUMXHURHRG-AWEZNQCLSA-N -1 3 396.455 0.712 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737616523 598361917 /nfs/dbraw/zinc/36/19/17/598361917.db2.gz SNOZMADDUJJJKW-UHFFFAOYSA-N -1 3 381.444 0.357 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000737615261 598362162 /nfs/dbraw/zinc/36/21/62/598362162.db2.gz FVGCHDRFHWPOQR-SREVYHEPSA-N -1 3 378.440 0.958 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000737615261 598362163 /nfs/dbraw/zinc/36/21/63/598362163.db2.gz FVGCHDRFHWPOQR-SREVYHEPSA-N -1 3 378.440 0.958 20 0 GCADHM Cn1cc(CN2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000737600971 598362184 /nfs/dbraw/zinc/36/21/84/598362184.db2.gz CPGIYICHDMVHFA-VOTSOKGWSA-N -1 3 378.440 0.958 20 0 GCADHM Cn1cc(CN2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000737600971 598362186 /nfs/dbraw/zinc/36/21/86/598362186.db2.gz CPGIYICHDMVHFA-VOTSOKGWSA-N -1 3 378.440 0.958 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)N1CCc2ccccc21 ZINC000738038478 598363789 /nfs/dbraw/zinc/36/37/89/598363789.db2.gz JGAOZNUBRFMCCU-UHFFFAOYSA-N -1 3 391.391 0.511 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc21 ZINC000738038478 598363791 /nfs/dbraw/zinc/36/37/91/598363791.db2.gz JGAOZNUBRFMCCU-UHFFFAOYSA-N -1 3 391.391 0.511 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C[C@H](O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737441707 598368117 /nfs/dbraw/zinc/36/81/17/598368117.db2.gz AGCJMLCVHHPELA-WMZOPIPTSA-N -1 3 399.455 0.512 20 0 GCADHM O=C(CCN1CCCNC(=O)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000738301783 598370379 /nfs/dbraw/zinc/37/03/79/598370379.db2.gz ANZBZSRSUMFSSW-UHFFFAOYSA-N -1 3 389.485 0.958 20 0 GCADHM O=C(CCN1CCCNC(=O)C1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000738301783 598370380 /nfs/dbraw/zinc/37/03/80/598370380.db2.gz ANZBZSRSUMFSSW-UHFFFAOYSA-N -1 3 389.485 0.958 20 0 GCADHM CNC(=O)C1(C(=O)OCc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CC1 ZINC000736869523 598371059 /nfs/dbraw/zinc/37/10/59/598371059.db2.gz DDZQAQKSEOROLE-UHFFFAOYSA-N -1 3 381.396 0.930 20 0 GCADHM CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735586362 598373848 /nfs/dbraw/zinc/37/38/48/598373848.db2.gz LVJWOADXRJOLBW-CQSZACIVSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735586362 598373850 /nfs/dbraw/zinc/37/38/50/598373850.db2.gz LVJWOADXRJOLBW-CQSZACIVSA-N -1 3 399.455 0.959 20 0 GCADHM O=C1[C@H](N2CCn3c(nnc3C3CC3)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738291499 598376341 /nfs/dbraw/zinc/37/63/41/598376341.db2.gz UXGOQAIHIYLXHQ-OAHLLOKOSA-N -1 3 391.439 0.957 20 0 GCADHM O=C1[C@H](N2CCn3c(nnc3C3CC3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738291499 598376343 /nfs/dbraw/zinc/37/63/43/598376343.db2.gz UXGOQAIHIYLXHQ-OAHLLOKOSA-N -1 3 391.439 0.957 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737764443 598377546 /nfs/dbraw/zinc/37/75/46/598377546.db2.gz GVMNNVGCTVOHJA-UHFFFAOYSA-N -1 3 387.425 0.977 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737764443 598377548 /nfs/dbraw/zinc/37/75/48/598377548.db2.gz GVMNNVGCTVOHJA-UHFFFAOYSA-N -1 3 387.425 0.977 20 0 GCADHM CSc1nc2nc(C)c(CC(=O)Nc3ccncc3-c3nnn[n-]3)c(C)n2n1 ZINC000737189353 598379534 /nfs/dbraw/zinc/37/95/34/598379534.db2.gz LJHJPGRYCYRJNY-UHFFFAOYSA-N -1 3 396.440 0.641 20 0 GCADHM CSc1nc2nc(C)c(CC(=O)Nc3ccncc3-c3nn[n-]n3)c(C)n2n1 ZINC000737189353 598379535 /nfs/dbraw/zinc/37/95/35/598379535.db2.gz LJHJPGRYCYRJNY-UHFFFAOYSA-N -1 3 396.440 0.641 20 0 GCADHM CCOC(=O)[C@H]1CSCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736593275 598381085 /nfs/dbraw/zinc/38/10/85/598381085.db2.gz GOOBUNUMJGAOQD-CYBMUJFWSA-N -1 3 376.442 0.786 20 0 GCADHM CCN1C(=S)N=NC1CCNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736713690 598383068 /nfs/dbraw/zinc/38/30/68/598383068.db2.gz LLUPRHODNGCEAQ-JTQLQIEISA-N -1 3 388.457 0.893 20 0 GCADHM Cc1nc(CN2CCN(C(=O)[C@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737477146 598383725 /nfs/dbraw/zinc/38/37/25/598383725.db2.gz KKDPTKQGURZEEB-LBPRGKRZSA-N -1 3 398.427 0.670 20 0 GCADHM Cn1cnnc1SCC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737618926 598384552 /nfs/dbraw/zinc/38/45/52/598384552.db2.gz PDZQYROYPZOKDR-UHFFFAOYSA-N -1 3 385.457 0.436 20 0 GCADHM Cn1cnnc1SCC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737618926 598384554 /nfs/dbraw/zinc/38/45/54/598384554.db2.gz PDZQYROYPZOKDR-UHFFFAOYSA-N -1 3 385.457 0.436 20 0 GCADHM CCCCNC(=O)CN1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000736460439 598386427 /nfs/dbraw/zinc/38/64/27/598386427.db2.gz HJIVQJIACKQNOE-UHFFFAOYSA-N -1 3 378.868 0.953 20 0 GCADHM CCCCNC(=O)CN1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000736460439 598386429 /nfs/dbraw/zinc/38/64/29/598386429.db2.gz HJIVQJIACKQNOE-UHFFFAOYSA-N -1 3 378.868 0.953 20 0 GCADHM O=C(C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)c1ccc(F)cc1 ZINC000737783999 598390129 /nfs/dbraw/zinc/39/01/29/598390129.db2.gz UZBPFWUMIJNJEK-UHFFFAOYSA-N -1 3 381.371 0.932 20 0 GCADHM O=C(C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)c1ccc(F)cc1 ZINC000737783999 598390130 /nfs/dbraw/zinc/39/01/30/598390130.db2.gz UZBPFWUMIJNJEK-UHFFFAOYSA-N -1 3 381.371 0.932 20 0 GCADHM CCCCNC(=O)CN1CCN(CCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736456152 598397173 /nfs/dbraw/zinc/39/71/73/598397173.db2.gz DBLOWAVLIBCKLQ-UHFFFAOYSA-N -1 3 387.488 0.779 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000737092051 598398377 /nfs/dbraw/zinc/39/83/77/598398377.db2.gz JAEAHORSOJSHSL-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000737092051 598398378 /nfs/dbraw/zinc/39/83/78/598398378.db2.gz JAEAHORSOJSHSL-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCN1CCCCCC1=O ZINC000737890798 598399227 /nfs/dbraw/zinc/39/92/27/598399227.db2.gz YHSPMLCXIAUEDK-UHFFFAOYSA-N -1 3 399.455 0.505 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCN1CCCCCC1=O ZINC000737890798 598399229 /nfs/dbraw/zinc/39/92/29/598399229.db2.gz YHSPMLCXIAUEDK-UHFFFAOYSA-N -1 3 399.455 0.505 20 0 GCADHM CC(=O)Nc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735484103 598399310 /nfs/dbraw/zinc/39/93/10/598399310.db2.gz HAJDDBOOWOMKDU-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM CC(=O)Nc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735484103 598399312 /nfs/dbraw/zinc/39/93/12/598399312.db2.gz HAJDDBOOWOMKDU-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H]1COc2ccccc2C1 ZINC000737890139 598399398 /nfs/dbraw/zinc/39/93/98/598399398.db2.gz UODBEYFCVXDDPH-ZDUSSCGKSA-N -1 3 392.419 0.964 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H]1COc2ccccc2C1 ZINC000737890139 598399400 /nfs/dbraw/zinc/39/94/00/598399400.db2.gz UODBEYFCVXDDPH-ZDUSSCGKSA-N -1 3 392.419 0.964 20 0 GCADHM CCC(=O)N1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736305831 598402988 /nfs/dbraw/zinc/40/29/88/598402988.db2.gz XEAWIOCEXGKJOU-UHFFFAOYSA-N -1 3 385.428 0.067 20 0 GCADHM CCC(=O)N1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736305831 598402989 /nfs/dbraw/zinc/40/29/89/598402989.db2.gz XEAWIOCEXGKJOU-UHFFFAOYSA-N -1 3 385.428 0.067 20 0 GCADHM COC(=O)CC1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736911198 598404492 /nfs/dbraw/zinc/40/44/92/598404492.db2.gz IXTIUXQRYYFMDN-UHFFFAOYSA-N -1 3 386.412 0.398 20 0 GCADHM COC(=O)CC1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736911198 598404494 /nfs/dbraw/zinc/40/44/94/598404494.db2.gz IXTIUXQRYYFMDN-UHFFFAOYSA-N -1 3 386.412 0.398 20 0 GCADHM Cc1noc(C2CCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737535688 598405356 /nfs/dbraw/zinc/40/53/56/598405356.db2.gz WOYBCGSZRMJIEO-UHFFFAOYSA-N -1 3 396.411 0.694 20 0 GCADHM Cc1noc(C2CCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737535688 598405358 /nfs/dbraw/zinc/40/53/58/598405358.db2.gz WOYBCGSZRMJIEO-UHFFFAOYSA-N -1 3 396.411 0.694 20 0 GCADHM C[C@H](COCC(F)(F)F)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736036474 598405776 /nfs/dbraw/zinc/40/57/76/598405776.db2.gz BBIOOJJNEDPFEB-SECBINFHSA-N -1 3 386.334 0.680 20 0 GCADHM C[C@H](COCC(F)(F)F)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736036474 598405778 /nfs/dbraw/zinc/40/57/78/598405778.db2.gz BBIOOJJNEDPFEB-SECBINFHSA-N -1 3 386.334 0.680 20 0 GCADHM C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736230007 598405913 /nfs/dbraw/zinc/40/59/13/598405913.db2.gz QGCIDRYMLVSEHL-ZETCQYMHSA-N -1 3 390.347 0.395 20 0 GCADHM C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736230007 598405915 /nfs/dbraw/zinc/40/59/15/598405915.db2.gz QGCIDRYMLVSEHL-ZETCQYMHSA-N -1 3 390.347 0.395 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(n2ccnc2)CC1 ZINC000738039973 598407218 /nfs/dbraw/zinc/40/72/18/598407218.db2.gz QNBYKJLSQJRSHF-UHFFFAOYSA-N -1 3 380.412 0.657 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(n2ccnc2)CC1 ZINC000738039973 598407219 /nfs/dbraw/zinc/40/72/19/598407219.db2.gz QNBYKJLSQJRSHF-UHFFFAOYSA-N -1 3 380.412 0.657 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735467608 598409688 /nfs/dbraw/zinc/40/96/88/598409688.db2.gz RYHGBZVIWJUFBR-ZANVPECISA-N -1 3 390.425 0.658 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735467608 598409689 /nfs/dbraw/zinc/40/96/89/598409689.db2.gz RYHGBZVIWJUFBR-ZANVPECISA-N -1 3 390.425 0.658 20 0 GCADHM Cn1c(Cl)cnc1COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737591416 598410401 /nfs/dbraw/zinc/41/04/01/598410401.db2.gz KIHCDWPZRHSEFE-UHFFFAOYSA-N -1 3 375.776 0.727 20 0 GCADHM Cn1c(Cl)cnc1COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737591416 598410403 /nfs/dbraw/zinc/41/04/03/598410403.db2.gz KIHCDWPZRHSEFE-UHFFFAOYSA-N -1 3 375.776 0.727 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737736932 598411963 /nfs/dbraw/zinc/41/19/63/598411963.db2.gz NGCGGVSNYUVGOF-HNNXBMFYSA-N -1 3 380.364 0.366 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737736932 598411965 /nfs/dbraw/zinc/41/19/65/598411965.db2.gz NGCGGVSNYUVGOF-HNNXBMFYSA-N -1 3 380.364 0.366 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccccc1 ZINC000737905770 598412104 /nfs/dbraw/zinc/41/21/04/598412104.db2.gz VRPIJFOTGDFXQG-UHFFFAOYSA-N -1 3 394.391 0.456 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccccc1 ZINC000737905770 598412105 /nfs/dbraw/zinc/41/21/05/598412105.db2.gz VRPIJFOTGDFXQG-UHFFFAOYSA-N -1 3 394.391 0.456 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736395101 598413165 /nfs/dbraw/zinc/41/31/65/598413165.db2.gz HDRMIFOCVGXAQQ-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736395101 598413166 /nfs/dbraw/zinc/41/31/66/598413166.db2.gz HDRMIFOCVGXAQQ-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CCN(C(=S)NCCNS(C)(=O)=O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509320 598416873 /nfs/dbraw/zinc/41/68/73/598416873.db2.gz URUBJTVMRNHTRL-NSHDSACASA-N -1 3 397.530 0.673 20 0 GCADHM CCN(C(=S)NCCNS(C)(=O)=O)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509320 598416874 /nfs/dbraw/zinc/41/68/74/598416874.db2.gz URUBJTVMRNHTRL-NSHDSACASA-N -1 3 397.530 0.673 20 0 GCADHM C[C@H](CC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C1CCCC1 ZINC000735973591 598419278 /nfs/dbraw/zinc/41/92/78/598419278.db2.gz BIWAIWGMSSUUNI-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](CC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C1CCCC1 ZINC000735973591 598419279 /nfs/dbraw/zinc/41/92/79/598419279.db2.gz BIWAIWGMSSUUNI-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM COCCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nnn[n-]1 ZINC000736975407 598419832 /nfs/dbraw/zinc/41/98/32/598419832.db2.gz BXSYRRQKUKKEFW-UHFFFAOYSA-N -1 3 388.407 0.859 20 0 GCADHM COCCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nn[n-]n1 ZINC000736975407 598419834 /nfs/dbraw/zinc/41/98/34/598419834.db2.gz BXSYRRQKUKKEFW-UHFFFAOYSA-N -1 3 388.407 0.859 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000736912096 598420823 /nfs/dbraw/zinc/42/08/23/598420823.db2.gz YLSNMIGCOIBISV-LBPRGKRZSA-N -1 3 375.385 0.666 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000736912096 598420825 /nfs/dbraw/zinc/42/08/25/598420825.db2.gz YLSNMIGCOIBISV-LBPRGKRZSA-N -1 3 375.385 0.666 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCC(=O)Nc1cccnc1 ZINC000737023225 598423749 /nfs/dbraw/zinc/42/37/49/598423749.db2.gz ISKIMTGGLOOUPP-UHFFFAOYSA-N -1 3 397.395 0.794 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCC(=O)Nc1cccnc1 ZINC000737023225 598423751 /nfs/dbraw/zinc/42/37/51/598423751.db2.gz ISKIMTGGLOOUPP-UHFFFAOYSA-N -1 3 397.395 0.794 20 0 GCADHM O=C(Cn1ncc2ccccc21)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737986415 598424672 /nfs/dbraw/zinc/42/46/72/598424672.db2.gz ZSQYWKKEBIZDSR-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM O=C(Cn1ncc2ccccc21)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737986415 598424674 /nfs/dbraw/zinc/42/46/74/598424674.db2.gz ZSQYWKKEBIZDSR-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)C[C@@H]2CN(C)CCO2)c(-c2nnn[n-]2)c1C ZINC000737547269 598427108 /nfs/dbraw/zinc/42/71/08/598427108.db2.gz JPPTVZWKVIRSFB-AAEUAGOBSA-N -1 3 377.449 0.666 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)C[C@@H]2CN(C)CCO2)c(-c2nn[n-]n2)c1C ZINC000737547269 598427110 /nfs/dbraw/zinc/42/71/10/598427110.db2.gz JPPTVZWKVIRSFB-AAEUAGOBSA-N -1 3 377.449 0.666 20 0 GCADHM Cc1noc(C)c1CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737537905 598430327 /nfs/dbraw/zinc/43/03/27/598430327.db2.gz PSPAAGCWYRRXBS-UHFFFAOYSA-N -1 3 397.443 0.941 20 0 GCADHM Cc1noc(C)c1CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737537905 598430329 /nfs/dbraw/zinc/43/03/29/598430329.db2.gz PSPAAGCWYRRXBS-UHFFFAOYSA-N -1 3 397.443 0.941 20 0 GCADHM O=C(NC1CCC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738026140 598430368 /nfs/dbraw/zinc/43/03/68/598430368.db2.gz PZBDNORVIGVCKZ-UHFFFAOYSA-N -1 3 391.457 0.435 20 0 GCADHM O=C(NC1CCC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738026140 598430370 /nfs/dbraw/zinc/43/03/70/598430370.db2.gz PZBDNORVIGVCKZ-UHFFFAOYSA-N -1 3 391.457 0.435 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCN(Cc2cscn2)CC1 ZINC000738358651 598430417 /nfs/dbraw/zinc/43/04/17/598430417.db2.gz WOOPTRXFUIFZEA-UHFFFAOYSA-N -1 3 391.482 0.830 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCN(Cc2cscn2)CC1 ZINC000738358651 598430419 /nfs/dbraw/zinc/43/04/19/598430419.db2.gz WOOPTRXFUIFZEA-UHFFFAOYSA-N -1 3 391.482 0.830 20 0 GCADHM C[C@H]1CN(C(=O)CN2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C[C@H](C)O1 ZINC000736282574 598431302 /nfs/dbraw/zinc/43/13/02/598431302.db2.gz YRWUJLIJDIXGEB-HOTGVXAUSA-N -1 3 399.499 0.620 20 0 GCADHM Cn1c(=O)c2cc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3)cnc2n(C)c1=O ZINC000737588548 598433314 /nfs/dbraw/zinc/43/33/14/598433314.db2.gz JIEVZTWKEQQWAJ-UHFFFAOYSA-N -1 3 393.363 0.169 20 0 GCADHM Cn1c(=O)c2cc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)cnc2n(C)c1=O ZINC000737588548 598433316 /nfs/dbraw/zinc/43/33/16/598433316.db2.gz JIEVZTWKEQQWAJ-UHFFFAOYSA-N -1 3 393.363 0.169 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)N1CCOCC1 ZINC000736019498 598433816 /nfs/dbraw/zinc/43/38/16/598433816.db2.gz GOAMRHGOUGWPAB-GFCCVEGCSA-N -1 3 397.443 0.085 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)N1CCOCC1 ZINC000736019498 598433818 /nfs/dbraw/zinc/43/38/18/598433818.db2.gz GOAMRHGOUGWPAB-GFCCVEGCSA-N -1 3 397.443 0.085 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000737776670 598435251 /nfs/dbraw/zinc/43/52/51/598435251.db2.gz OSPZKIQYNUBJAL-CYBMUJFWSA-N -1 3 381.400 0.033 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000737776670 598435253 /nfs/dbraw/zinc/43/52/53/598435253.db2.gz OSPZKIQYNUBJAL-CYBMUJFWSA-N -1 3 381.400 0.033 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CCc3nccn3C2)cc1 ZINC000737776719 598436716 /nfs/dbraw/zinc/43/67/16/598436716.db2.gz QINKMGZPZUUUQM-LBPRGKRZSA-N -1 3 390.411 0.576 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CCc3nccn3C2)cc1 ZINC000737776719 598436717 /nfs/dbraw/zinc/43/67/17/598436717.db2.gz QINKMGZPZUUUQM-LBPRGKRZSA-N -1 3 390.411 0.576 20 0 GCADHM Cn1cc(CCCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cn1 ZINC000737603191 598439019 /nfs/dbraw/zinc/43/90/19/598439019.db2.gz WCQYBUNJZQQUOI-UHFFFAOYSA-N -1 3 392.427 0.731 20 0 GCADHM Cn1cc(CCCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cn1 ZINC000737603191 598439021 /nfs/dbraw/zinc/43/90/21/598439021.db2.gz WCQYBUNJZQQUOI-UHFFFAOYSA-N -1 3 392.427 0.731 20 0 GCADHM COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736918963 598440859 /nfs/dbraw/zinc/44/08/59/598440859.db2.gz LIRLHBGAGFFEJY-UHFFFAOYSA-N -1 3 395.379 0.807 20 0 GCADHM COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736918963 598440860 /nfs/dbraw/zinc/44/08/60/598440860.db2.gz LIRLHBGAGFFEJY-UHFFFAOYSA-N -1 3 395.379 0.807 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736905751 598444077 /nfs/dbraw/zinc/44/40/77/598444077.db2.gz CLDKVBPKBTZPRP-GJZGRUSLSA-N -1 3 398.423 0.853 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736905751 598444079 /nfs/dbraw/zinc/44/40/79/598444079.db2.gz CLDKVBPKBTZPRP-GJZGRUSLSA-N -1 3 398.423 0.853 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736905756 598444269 /nfs/dbraw/zinc/44/42/69/598444269.db2.gz CLDKVBPKBTZPRP-LSDHHAIUSA-N -1 3 398.423 0.853 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736905756 598444271 /nfs/dbraw/zinc/44/42/71/598444271.db2.gz CLDKVBPKBTZPRP-LSDHHAIUSA-N -1 3 398.423 0.853 20 0 GCADHM Cc1nn(C)c(C)c1CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737509668 598448904 /nfs/dbraw/zinc/44/89/04/598448904.db2.gz HWCUVLQEHDLBLV-UHFFFAOYSA-N -1 3 395.471 0.940 20 0 GCADHM Cc1nn(C)c(C)c1CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737509668 598448906 /nfs/dbraw/zinc/44/89/06/598448906.db2.gz HWCUVLQEHDLBLV-UHFFFAOYSA-N -1 3 395.471 0.940 20 0 GCADHM Cn1ccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1=O ZINC000737611851 598449175 /nfs/dbraw/zinc/44/91/75/598449175.db2.gz IXJVVRRWXQGSNF-UHFFFAOYSA-N -1 3 380.412 0.359 20 0 GCADHM Cn1ccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1=O ZINC000737611851 598449176 /nfs/dbraw/zinc/44/91/76/598449176.db2.gz IXJVVRRWXQGSNF-UHFFFAOYSA-N -1 3 380.412 0.359 20 0 GCADHM O=C(CN1CCCCC1=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737879966 598449392 /nfs/dbraw/zinc/44/93/92/598449392.db2.gz WRAAYENWCVHSQU-UHFFFAOYSA-N -1 3 384.444 0.359 20 0 GCADHM O=C(CN1CCCCC1=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737879966 598449394 /nfs/dbraw/zinc/44/93/94/598449394.db2.gz WRAAYENWCVHSQU-UHFFFAOYSA-N -1 3 384.444 0.359 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CSC[C@H]1C(=O)N(C)C ZINC000736171168 598452943 /nfs/dbraw/zinc/45/29/43/598452943.db2.gz UJUGJPLRQPFBCI-GWCFXTLKSA-N -1 3 376.442 0.624 20 0 GCADHM O=C(Nc1ccccc1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738192650 598457005 /nfs/dbraw/zinc/45/70/05/598457005.db2.gz USOSIZNOTNSMBZ-UHFFFAOYSA-N -1 3 392.423 0.985 20 0 GCADHM O=C(Nc1ccccc1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738192650 598457006 /nfs/dbraw/zinc/45/70/06/598457006.db2.gz USOSIZNOTNSMBZ-UHFFFAOYSA-N -1 3 392.423 0.985 20 0 GCADHM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737169166 598460683 /nfs/dbraw/zinc/46/06/83/598460683.db2.gz OROVYDLNZPMFRS-LBPRGKRZSA-N -1 3 379.446 0.196 20 0 GCADHM CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737169166 598460685 /nfs/dbraw/zinc/46/06/85/598460685.db2.gz OROVYDLNZPMFRS-LBPRGKRZSA-N -1 3 379.446 0.196 20 0 GCADHM CN(C)Cc1nc(C2(NC(=O)c3ccc(-c4nnn[n-]4)cn3)CCCC2)no1 ZINC000736770599 598462415 /nfs/dbraw/zinc/46/24/15/598462415.db2.gz BETWNQMMJKMJPO-UHFFFAOYSA-N -1 3 383.416 0.906 20 0 GCADHM CN(C)Cc1nc(C2(NC(=O)c3ccc(-c4nn[n-]n4)cn3)CCCC2)no1 ZINC000736770599 598462416 /nfs/dbraw/zinc/46/24/16/598462416.db2.gz BETWNQMMJKMJPO-UHFFFAOYSA-N -1 3 383.416 0.906 20 0 GCADHM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736885745 598463383 /nfs/dbraw/zinc/46/33/83/598463383.db2.gz CQXWVXNGHLWLLS-JTQLQIEISA-N -1 3 387.425 0.661 20 0 GCADHM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736885745 598463385 /nfs/dbraw/zinc/46/33/85/598463385.db2.gz CQXWVXNGHLWLLS-JTQLQIEISA-N -1 3 387.425 0.661 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737742808 598470527 /nfs/dbraw/zinc/47/05/27/598470527.db2.gz HGYOZJRQYQCDRV-KRWDZBQOSA-N -1 3 377.408 0.890 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737742808 598470528 /nfs/dbraw/zinc/47/05/28/598470528.db2.gz HGYOZJRQYQCDRV-KRWDZBQOSA-N -1 3 377.408 0.890 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@H]1CCC[C@@H](O)C1 ZINC000738031307 598471854 /nfs/dbraw/zinc/47/18/54/598471854.db2.gz DNLUSFYDBMQWPS-LSDHHAIUSA-N -1 3 386.460 0.833 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@H]1CCC[C@@H](O)C1 ZINC000738031307 598471858 /nfs/dbraw/zinc/47/18/58/598471858.db2.gz DNLUSFYDBMQWPS-LSDHHAIUSA-N -1 3 386.460 0.833 20 0 GCADHM CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736529396 598473245 /nfs/dbraw/zinc/47/32/45/598473245.db2.gz KHSUFMOENVGKGJ-UHFFFAOYSA-N -1 3 386.460 0.278 20 0 GCADHM CCN(CC)C(=O)CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736529396 598473246 /nfs/dbraw/zinc/47/32/46/598473246.db2.gz KHSUFMOENVGKGJ-UHFFFAOYSA-N -1 3 386.460 0.278 20 0 GCADHM O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cn1 ZINC000738042641 598474913 /nfs/dbraw/zinc/47/49/13/598474913.db2.gz ZARFOOOXPKBNOY-NSHDSACASA-N -1 3 384.352 0.160 20 0 GCADHM O=C(NC[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cn1 ZINC000738042641 598474914 /nfs/dbraw/zinc/47/49/14/598474914.db2.gz ZARFOOOXPKBNOY-NSHDSACASA-N -1 3 384.352 0.160 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000826432799 607358191 /nfs/dbraw/zinc/35/81/91/607358191.db2.gz LIYJNOGVRPCDPJ-HOTGVXAUSA-N -1 3 384.440 0.872 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000826432799 607358194 /nfs/dbraw/zinc/35/81/94/607358194.db2.gz LIYJNOGVRPCDPJ-HOTGVXAUSA-N -1 3 384.440 0.872 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)NC(=O)NCC(F)(F)F ZINC000736160922 598476740 /nfs/dbraw/zinc/47/67/40/598476740.db2.gz UAHCITASBYFNQZ-ZCFIWIBFSA-N -1 3 387.278 0.195 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)NC(=O)NCC(F)(F)F ZINC000736160922 598476741 /nfs/dbraw/zinc/47/67/41/598476741.db2.gz UAHCITASBYFNQZ-ZCFIWIBFSA-N -1 3 387.278 0.195 20 0 GCADHM O=C(NCCCn1ccnc1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738076675 598476907 /nfs/dbraw/zinc/47/69/07/598476907.db2.gz XGEBPBXDCRMAQU-UHFFFAOYSA-N -1 3 396.459 0.817 20 0 GCADHM O=C(NCCCn1ccnc1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738076675 598476909 /nfs/dbraw/zinc/47/69/09/598476909.db2.gz XGEBPBXDCRMAQU-UHFFFAOYSA-N -1 3 396.459 0.817 20 0 GCADHM COc1ccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1OC ZINC000737091491 598478131 /nfs/dbraw/zinc/47/81/31/598478131.db2.gz CZQCMUOIFYXUTQ-UHFFFAOYSA-N -1 3 398.379 0.752 20 0 GCADHM COc1ccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1OC ZINC000737091491 598478134 /nfs/dbraw/zinc/47/81/34/598478134.db2.gz CZQCMUOIFYXUTQ-UHFFFAOYSA-N -1 3 398.379 0.752 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736099762 598479237 /nfs/dbraw/zinc/47/92/37/598479237.db2.gz WGQWYXXCMUIUJR-GFCCVEGCSA-N -1 3 397.447 0.210 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736099762 598479238 /nfs/dbraw/zinc/47/92/38/598479238.db2.gz WGQWYXXCMUIUJR-GFCCVEGCSA-N -1 3 397.447 0.210 20 0 GCADHM Cc1noc([C@@H](C)NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737533247 598480456 /nfs/dbraw/zinc/48/04/56/598480456.db2.gz FYBRSKOBNQALCI-SNVBAGLBSA-N -1 3 398.431 0.982 20 0 GCADHM Cc1noc([C@@H](C)NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737533247 598480457 /nfs/dbraw/zinc/48/04/57/598480457.db2.gz FYBRSKOBNQALCI-SNVBAGLBSA-N -1 3 398.431 0.982 20 0 GCADHM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736591965 598480943 /nfs/dbraw/zinc/48/09/43/598480943.db2.gz YUNWDHVXUREWJB-CYBMUJFWSA-N -1 3 388.384 0.363 20 0 GCADHM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736591965 598480944 /nfs/dbraw/zinc/48/09/44/598480944.db2.gz YUNWDHVXUREWJB-CYBMUJFWSA-N -1 3 388.384 0.363 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000737909618 598481434 /nfs/dbraw/zinc/48/14/34/598481434.db2.gz VQYNNNZQFREVHU-UHFFFAOYSA-N -1 3 380.324 0.639 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000737909618 598481436 /nfs/dbraw/zinc/48/14/36/598481436.db2.gz VQYNNNZQFREVHU-UHFFFAOYSA-N -1 3 380.324 0.639 20 0 GCADHM CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736883103 598482374 /nfs/dbraw/zinc/48/23/74/598482374.db2.gz SSOHJWYOCDGCJV-JTQLQIEISA-N -1 3 395.379 0.805 20 0 GCADHM CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736883103 598482376 /nfs/dbraw/zinc/48/23/76/598482376.db2.gz SSOHJWYOCDGCJV-JTQLQIEISA-N -1 3 395.379 0.805 20 0 GCADHM COCc1ccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737018089 598482612 /nfs/dbraw/zinc/48/26/12/598482612.db2.gz SYVYVIMKTBDDBU-UHFFFAOYSA-N -1 3 382.380 0.881 20 0 GCADHM COCc1ccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737018089 598482614 /nfs/dbraw/zinc/48/26/14/598482614.db2.gz SYVYVIMKTBDDBU-UHFFFAOYSA-N -1 3 382.380 0.881 20 0 GCADHM C[C@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1nnc2n1CCC2 ZINC000736115772 598486538 /nfs/dbraw/zinc/48/65/38/598486538.db2.gz AWUWHJIWCTWIKG-JTQLQIEISA-N -1 3 383.420 0.272 20 0 GCADHM C[C@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1nnc2n1CCC2 ZINC000736115772 598486540 /nfs/dbraw/zinc/48/65/40/598486540.db2.gz AWUWHJIWCTWIKG-JTQLQIEISA-N -1 3 383.420 0.272 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1nnc2n1CCC2 ZINC000736119911 598486702 /nfs/dbraw/zinc/48/67/02/598486702.db2.gz WQKVJSSWQYGEPL-SNVBAGLBSA-N -1 3 383.420 0.272 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1nnc2n1CCC2 ZINC000736119911 598486704 /nfs/dbraw/zinc/48/67/04/598486704.db2.gz WQKVJSSWQYGEPL-SNVBAGLBSA-N -1 3 383.420 0.272 20 0 GCADHM C[C@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000736153685 598488901 /nfs/dbraw/zinc/48/89/01/598488901.db2.gz RQQIKXNPXSWBDE-JTQLQIEISA-N -1 3 380.430 0.386 20 0 GCADHM C[C@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000736153685 598488903 /nfs/dbraw/zinc/48/89/03/598488903.db2.gz RQQIKXNPXSWBDE-JTQLQIEISA-N -1 3 380.430 0.386 20 0 GCADHM C[C@@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000736153686 598488907 /nfs/dbraw/zinc/48/89/07/598488907.db2.gz RQQIKXNPXSWBDE-SNVBAGLBSA-N -1 3 380.430 0.386 20 0 GCADHM C[C@@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000736153686 598488909 /nfs/dbraw/zinc/48/89/09/598488909.db2.gz RQQIKXNPXSWBDE-SNVBAGLBSA-N -1 3 380.430 0.386 20 0 GCADHM C[C@H]1C[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736235258 598500996 /nfs/dbraw/zinc/50/09/96/598500996.db2.gz FGVJCKCQVNFQBS-XHDPSFHLSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H]1C[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736235258 598500997 /nfs/dbraw/zinc/50/09/97/598500997.db2.gz FGVJCKCQVNFQBS-XHDPSFHLSA-N -1 3 390.469 0.792 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737743741 598504228 /nfs/dbraw/zinc/50/42/28/598504228.db2.gz JMSBTQZRGKENJK-AWEZNQCLSA-N -1 3 378.392 0.936 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000736819194 598506527 /nfs/dbraw/zinc/50/65/27/598506527.db2.gz ADSOWBXCBXRUKK-INIZCTEOSA-N -1 3 399.436 0.555 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000736819194 598506530 /nfs/dbraw/zinc/50/65/30/598506530.db2.gz ADSOWBXCBXRUKK-INIZCTEOSA-N -1 3 399.436 0.555 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737744611 598509445 /nfs/dbraw/zinc/50/94/45/598509445.db2.gz MTCXXWUXAKZDHQ-HOTGVXAUSA-N -1 3 394.435 0.771 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCN(c2cccnn2)CC1 ZINC000738329770 598509518 /nfs/dbraw/zinc/50/95/18/598509518.db2.gz KLBJAUKMAORUGZ-UHFFFAOYSA-N -1 3 386.441 0.309 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCN(c2cccnn2)CC1 ZINC000738329770 598509519 /nfs/dbraw/zinc/50/95/19/598509519.db2.gz KLBJAUKMAORUGZ-UHFFFAOYSA-N -1 3 386.441 0.309 20 0 GCADHM O=C(Cc1ccc(-n2cnnn2)cc1)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737955926 598512902 /nfs/dbraw/zinc/51/29/02/598512902.db2.gz NRZKLNWLKGVVDL-UHFFFAOYSA-N -1 3 392.383 0.435 20 0 GCADHM O=C(Cc1ccc(-n2cnnn2)cc1)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737955926 598512905 /nfs/dbraw/zinc/51/29/05/598512905.db2.gz NRZKLNWLKGVVDL-UHFFFAOYSA-N -1 3 392.383 0.435 20 0 GCADHM Cc1ccn2ncc(C(=O)N3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)c2n1 ZINC000737437898 598514415 /nfs/dbraw/zinc/51/44/15/598514415.db2.gz ZZKKPEMVNBGASU-UHFFFAOYSA-N -1 3 390.411 0.575 20 0 GCADHM Cc1ccn2ncc(C(=O)N3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)c2n1 ZINC000737437898 598514417 /nfs/dbraw/zinc/51/44/17/598514417.db2.gz ZZKKPEMVNBGASU-UHFFFAOYSA-N -1 3 390.411 0.575 20 0 GCADHM O=C(NCCCN1C(=O)CNC1=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738307185 598515474 /nfs/dbraw/zinc/51/54/74/598515474.db2.gz PADLMELBFFCJGB-UHFFFAOYSA-N -1 3 398.427 0.483 20 0 GCADHM O=C(NCCCN1C(=O)CNC1=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738307185 598515475 /nfs/dbraw/zinc/51/54/75/598515475.db2.gz PADLMELBFFCJGB-UHFFFAOYSA-N -1 3 398.427 0.483 20 0 GCADHM CN(C)S(=O)(=O)N(C)CCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736770735 598516075 /nfs/dbraw/zinc/51/60/75/598516075.db2.gz GCGICHKOPBWYCX-HJWRWDBZSA-N -1 3 380.430 0.161 20 0 GCADHM CN(C)S(=O)(=O)N(C)CCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736770735 598516076 /nfs/dbraw/zinc/51/60/76/598516076.db2.gz GCGICHKOPBWYCX-HJWRWDBZSA-N -1 3 380.430 0.161 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nnn[n-]2)CC1)NCc1ccccn1 ZINC000737883739 598524851 /nfs/dbraw/zinc/52/48/51/598524851.db2.gz RKJFBWJVCLQZKH-UHFFFAOYSA-N -1 3 378.440 0.700 20 0 GCADHM O=C(CN1CCN(c2ccccc2-c2nn[n-]n2)CC1)NCc1ccccn1 ZINC000737883739 598524852 /nfs/dbraw/zinc/52/48/52/598524852.db2.gz RKJFBWJVCLQZKH-UHFFFAOYSA-N -1 3 378.440 0.700 20 0 GCADHM C[C@@H]1C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736241992 598528388 /nfs/dbraw/zinc/52/83/88/598528388.db2.gz YKORHSMCILODAZ-RISCZKNCSA-N -1 3 391.457 0.291 20 0 GCADHM C[C@@H]1C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736241992 598528390 /nfs/dbraw/zinc/52/83/90/598528390.db2.gz YKORHSMCILODAZ-RISCZKNCSA-N -1 3 391.457 0.291 20 0 GCADHM Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737513149 598529117 /nfs/dbraw/zinc/52/91/17/598529117.db2.gz HGDSEAXPIMOHCJ-LBPRGKRZSA-N -1 3 396.459 0.896 20 0 GCADHM Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737513149 598529119 /nfs/dbraw/zinc/52/91/19/598529119.db2.gz HGDSEAXPIMOHCJ-LBPRGKRZSA-N -1 3 396.459 0.896 20 0 GCADHM O=C(COCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)NCc1cccnc1 ZINC000737915635 598537096 /nfs/dbraw/zinc/53/70/96/598537096.db2.gz KVDLDAMUNZRXPA-UHFFFAOYSA-N -1 3 385.359 0.672 20 0 GCADHM O=C(COCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)NCc1cccnc1 ZINC000737915635 598537097 /nfs/dbraw/zinc/53/70/97/598537097.db2.gz KVDLDAMUNZRXPA-UHFFFAOYSA-N -1 3 385.359 0.672 20 0 GCADHM CCOC(=O)c1sc(NC(=O)[C@@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000736606330 598537181 /nfs/dbraw/zinc/53/71/81/598537181.db2.gz ZNTWTQJMPNTOMG-MRVPVSSYSA-N -1 3 399.454 0.787 20 0 GCADHM CCOC(=O)c1sc(NC(=O)[C@@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000736606330 598537183 /nfs/dbraw/zinc/53/71/83/598537183.db2.gz ZNTWTQJMPNTOMG-MRVPVSSYSA-N -1 3 399.454 0.787 20 0 GCADHM COCCN(CCOc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000736994752 598537277 /nfs/dbraw/zinc/53/72/77/598537277.db2.gz LPFZKVUACNDLNZ-CQSZACIVSA-N -1 3 381.458 0.381 20 0 GCADHM COCCN(CCOc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000736994752 598537279 /nfs/dbraw/zinc/53/72/79/598537279.db2.gz LPFZKVUACNDLNZ-CQSZACIVSA-N -1 3 381.458 0.381 20 0 GCADHM CS(=O)(=O)CCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737161730 598540706 /nfs/dbraw/zinc/54/07/06/598540706.db2.gz CUROQLIRQHIGNT-UHFFFAOYSA-N -1 3 391.409 0.813 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC1N=NC(=S)N1C1CC1 ZINC000737888790 598542516 /nfs/dbraw/zinc/54/25/16/598542516.db2.gz FQAPVOVIMOPHBC-UHFFFAOYSA-N -1 3 399.440 0.128 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC1N=NC(=S)N1C1CC1 ZINC000737888790 598542517 /nfs/dbraw/zinc/54/25/17/598542517.db2.gz FQAPVOVIMOPHBC-UHFFFAOYSA-N -1 3 399.440 0.128 20 0 GCADHM CS(=O)(=O)CCCC(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737163333 598543733 /nfs/dbraw/zinc/54/37/33/598543733.db2.gz VOWGMRFCBWVLHC-ZDUSSCGKSA-N -1 3 393.425 0.340 20 0 GCADHM CS(=O)(=O)CCCC(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737163333 598543734 /nfs/dbraw/zinc/54/37/34/598543734.db2.gz VOWGMRFCBWVLHC-ZDUSSCGKSA-N -1 3 393.425 0.340 20 0 GCADHM CN(CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)S(C)(=O)=O ZINC000736787907 598545027 /nfs/dbraw/zinc/54/50/27/598545027.db2.gz NEGMEDOVVUQYCA-UHFFFAOYSA-N -1 3 376.345 0.298 20 0 GCADHM CN(CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)S(C)(=O)=O ZINC000736787907 598545029 /nfs/dbraw/zinc/54/50/29/598545029.db2.gz NEGMEDOVVUQYCA-UHFFFAOYSA-N -1 3 376.345 0.298 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736302608 598547923 /nfs/dbraw/zinc/54/79/23/598547923.db2.gz JECMFZBGJHCWBP-NSHDSACASA-N -1 3 376.446 0.101 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736302608 598547925 /nfs/dbraw/zinc/54/79/25/598547925.db2.gz JECMFZBGJHCWBP-NSHDSACASA-N -1 3 376.446 0.101 20 0 GCADHM CO[C@H]1CCCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736962743 598551133 /nfs/dbraw/zinc/55/11/33/598551133.db2.gz RCXXGNQGKOGYBE-HNNXBMFYSA-N -1 3 385.428 0.699 20 0 GCADHM C[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)N1CCCCC1 ZINC000736105086 598551555 /nfs/dbraw/zinc/55/15/55/598551555.db2.gz LVUWVORQFGPQQH-LLVKDONJSA-N -1 3 376.392 0.902 20 0 GCADHM C[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)N1CCCCC1 ZINC000736105086 598551556 /nfs/dbraw/zinc/55/15/56/598551556.db2.gz LVUWVORQFGPQQH-LLVKDONJSA-N -1 3 376.392 0.902 20 0 GCADHM Cc1nnc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)c(-c2nnn[n-]2)c1C ZINC000737520138 598558325 /nfs/dbraw/zinc/55/83/25/598558325.db2.gz DOGKXSRFTVEHHA-UHFFFAOYSA-N -1 3 399.503 0.654 20 0 GCADHM Cc1nnc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)c(-c2nn[n-]n2)c1C ZINC000737520138 598558326 /nfs/dbraw/zinc/55/83/26/598558326.db2.gz DOGKXSRFTVEHHA-UHFFFAOYSA-N -1 3 399.503 0.654 20 0 GCADHM COCCOc1ncccc1NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737012904 598559464 /nfs/dbraw/zinc/55/94/64/598559464.db2.gz AJOSPSCMECNREY-UHFFFAOYSA-N -1 3 399.415 0.916 20 0 GCADHM COCCOc1ncccc1NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737012904 598559466 /nfs/dbraw/zinc/55/94/66/598559466.db2.gz AJOSPSCMECNREY-UHFFFAOYSA-N -1 3 399.415 0.916 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000737745451 598562553 /nfs/dbraw/zinc/56/25/53/598562553.db2.gz NYJUNUOCQUHIFI-JTQLQIEISA-N -1 3 383.315 0.186 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000737745451 598562555 /nfs/dbraw/zinc/56/25/55/598562555.db2.gz NYJUNUOCQUHIFI-JTQLQIEISA-N -1 3 383.315 0.186 20 0 GCADHM CC(C)(CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(N)=O ZINC000735667077 598563239 /nfs/dbraw/zinc/56/32/39/598563239.db2.gz WJGGTWKOELQWER-UHFFFAOYSA-N -1 3 397.342 0.034 20 0 GCADHM CC(C)(CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(N)=O ZINC000735667077 598563240 /nfs/dbraw/zinc/56/32/40/598563240.db2.gz WJGGTWKOELQWER-UHFFFAOYSA-N -1 3 397.342 0.034 20 0 GCADHM CC(C)NC(=O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735884257 598563406 /nfs/dbraw/zinc/56/34/06/598563406.db2.gz JAQWYVJOIGCPMB-UHFFFAOYSA-N -1 3 397.342 0.047 20 0 GCADHM CC(C)NC(=O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735884257 598563408 /nfs/dbraw/zinc/56/34/08/598563408.db2.gz JAQWYVJOIGCPMB-UHFFFAOYSA-N -1 3 397.342 0.047 20 0 GCADHM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736574990 598563649 /nfs/dbraw/zinc/56/36/49/598563649.db2.gz WRBBRAHENVVFMR-ZETCQYMHSA-N -1 3 397.342 0.047 20 0 GCADHM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736574990 598563650 /nfs/dbraw/zinc/56/36/50/598563650.db2.gz WRBBRAHENVVFMR-ZETCQYMHSA-N -1 3 397.342 0.047 20 0 GCADHM CN1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1 ZINC000736857321 598563656 /nfs/dbraw/zinc/56/36/56/598563656.db2.gz QLKGAWLHYIKTOC-UHFFFAOYSA-N -1 3 381.343 0.181 20 0 GCADHM CN1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736857321 598563658 /nfs/dbraw/zinc/56/36/58/598563658.db2.gz QLKGAWLHYIKTOC-UHFFFAOYSA-N -1 3 381.343 0.181 20 0 GCADHM O=C(NCc1cc[nH]n1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738102442 598564241 /nfs/dbraw/zinc/56/42/41/598564241.db2.gz SHDQJMOEXBHGHQ-UHFFFAOYSA-N -1 3 378.299 0.446 20 0 GCADHM CCCS(=O)(=O)NC1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000736497458 598565980 /nfs/dbraw/zinc/56/59/80/598565980.db2.gz HSKUTOZMDYLQKK-UHFFFAOYSA-N -1 3 390.473 0.813 20 0 GCADHM CCCS(=O)(=O)NC1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000736497458 598565982 /nfs/dbraw/zinc/56/59/82/598565982.db2.gz HSKUTOZMDYLQKK-UHFFFAOYSA-N -1 3 390.473 0.813 20 0 GCADHM O=C([C@H]1CCCN(c2nc3ccccn3c2-c2nnn[n-]2)C1)N1CCOCC1 ZINC000737790661 598566633 /nfs/dbraw/zinc/56/66/33/598566633.db2.gz GPNUSAIHOGQPOY-ZDUSSCGKSA-N -1 3 382.428 0.590 20 0 GCADHM O=C([C@H]1CCCN(c2nc3ccccn3c2-c2nn[n-]n2)C1)N1CCOCC1 ZINC000737790661 598566634 /nfs/dbraw/zinc/56/66/34/598566634.db2.gz GPNUSAIHOGQPOY-ZDUSSCGKSA-N -1 3 382.428 0.590 20 0 GCADHM CC(C)C(=O)N1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735685019 598567555 /nfs/dbraw/zinc/56/75/55/598567555.db2.gz YRLBLTWTSGJUTQ-UHFFFAOYSA-N -1 3 378.458 0.746 20 0 GCADHM CC(C)C(=O)N1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735685019 598567557 /nfs/dbraw/zinc/56/75/57/598567557.db2.gz YRLBLTWTSGJUTQ-UHFFFAOYSA-N -1 3 378.458 0.746 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824817107 607358683 /nfs/dbraw/zinc/35/86/83/607358683.db2.gz KTENCMCSEXKLHV-SFHVURJKSA-N -1 3 398.379 0.313 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824817107 607358685 /nfs/dbraw/zinc/35/86/85/607358685.db2.gz KTENCMCSEXKLHV-SFHVURJKSA-N -1 3 398.379 0.313 20 0 GCADHM NC(=O)[C@@H]1CC(C(=O)Nc2ccccc2-c2nnn[n-]2)=NN1c1ccccc1 ZINC000737739343 598574986 /nfs/dbraw/zinc/57/49/86/598574986.db2.gz NROIEKJGEREGTC-HNNXBMFYSA-N -1 3 376.380 0.925 20 0 GCADHM NC(=O)[C@@H]1CC(C(=O)Nc2ccccc2-c2nn[n-]n2)=NN1c1ccccc1 ZINC000737739343 598574988 /nfs/dbraw/zinc/57/49/88/598574988.db2.gz NROIEKJGEREGTC-HNNXBMFYSA-N -1 3 376.380 0.925 20 0 GCADHM Cn1c(=O)c2ccc(C(=O)Nc3ccccc3-c3nnn[n-]3)nc2n(C)c1=O ZINC000737589052 598575001 /nfs/dbraw/zinc/57/50/01/598575001.db2.gz LXOFNHRWVMTFNL-UHFFFAOYSA-N -1 3 378.352 0.065 20 0 GCADHM Cn1c(=O)c2ccc(C(=O)Nc3ccccc3-c3nn[n-]n3)nc2n(C)c1=O ZINC000737589052 598575003 /nfs/dbraw/zinc/57/50/03/598575003.db2.gz LXOFNHRWVMTFNL-UHFFFAOYSA-N -1 3 378.352 0.065 20 0 GCADHM O=C(CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NCc1ccco1 ZINC000737890165 598576341 /nfs/dbraw/zinc/57/63/41/598576341.db2.gz VBDQGAXANDNNJJ-MRXNPFEDSA-N -1 3 395.423 0.861 20 0 GCADHM NC(=O)Cc1csc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737758201 598576482 /nfs/dbraw/zinc/57/64/82/598576482.db2.gz HPLFWBMXTFKMKG-ZDUSSCGKSA-N -1 3 398.452 0.959 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737490782 598579891 /nfs/dbraw/zinc/57/98/91/598579891.db2.gz WYZHYUWCXZGYAM-HOCLYGCPSA-N -1 3 393.455 0.867 20 0 GCADHM C[C@H](C(=O)Nc1ncccn1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735569848 598580294 /nfs/dbraw/zinc/58/02/94/598580294.db2.gz ITXFGRFPZVHAHI-GFCCVEGCSA-N -1 3 397.418 0.945 20 0 GCADHM CCN(CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000736533792 598580669 /nfs/dbraw/zinc/58/06/69/598580669.db2.gz DHZOWKSOZDIMHF-GFCCVEGCSA-N -1 3 378.458 0.704 20 0 GCADHM CCN(CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000736533792 598580670 /nfs/dbraw/zinc/58/06/70/598580670.db2.gz DHZOWKSOZDIMHF-GFCCVEGCSA-N -1 3 378.458 0.704 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(CCOc1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000736932161 598586403 /nfs/dbraw/zinc/58/64/03/598586403.db2.gz HSSJZEGUFBPYPZ-UHFFFAOYSA-N -1 3 396.367 0.025 20 0 GCADHM CS(=O)(=O)CCN1CCC(NC(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000737161773 598590972 /nfs/dbraw/zinc/59/09/72/598590972.db2.gz DWUYACQYOIUSKK-UHFFFAOYSA-N -1 3 384.487 0.167 20 0 GCADHM CS(=O)(=O)CCN1CCC(NC(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000737161773 598590974 /nfs/dbraw/zinc/59/09/74/598590974.db2.gz DWUYACQYOIUSKK-UHFFFAOYSA-N -1 3 384.487 0.167 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NCCS(=O)(=O)NCC1CCC1 ZINC000737804149 598591415 /nfs/dbraw/zinc/59/14/15/598591415.db2.gz YJQHUDRIXWRCCE-CMDGGOBGSA-N -1 3 390.469 0.716 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NCCS(=O)(=O)NCC1CCC1 ZINC000737804149 598591417 /nfs/dbraw/zinc/59/14/17/598591417.db2.gz YJQHUDRIXWRCCE-CMDGGOBGSA-N -1 3 390.469 0.716 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738318256 598595692 /nfs/dbraw/zinc/59/56/92/598595692.db2.gz PHSSRDXEPKTLJH-GFCCVEGCSA-N -1 3 396.448 0.494 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCCOC[C@H]1CCOC1 ZINC000738078652 598598641 /nfs/dbraw/zinc/59/86/41/598598641.db2.gz UDSMSONFOXCMSO-LBPRGKRZSA-N -1 3 376.421 0.026 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCCOC[C@H]1CCOC1 ZINC000738078652 598598643 /nfs/dbraw/zinc/59/86/43/598598643.db2.gz UDSMSONFOXCMSO-LBPRGKRZSA-N -1 3 376.421 0.026 20 0 GCADHM Cc1ncc(CS(=O)(=O)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737491354 598599732 /nfs/dbraw/zinc/59/97/32/598599732.db2.gz JDQSGJUMWDWBBS-UHFFFAOYSA-N -1 3 392.466 0.863 20 0 GCADHM COc1ccc(-n2ccc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)n2)cc1 ZINC000737067526 598602855 /nfs/dbraw/zinc/60/28/55/598602855.db2.gz ZURIJDFHEFLIJJ-UHFFFAOYSA-N -1 3 395.383 0.697 20 0 GCADHM COc1ccc(-n2ccc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)n2)cc1 ZINC000737067526 598602856 /nfs/dbraw/zinc/60/28/56/598602856.db2.gz ZURIJDFHEFLIJJ-UHFFFAOYSA-N -1 3 395.383 0.697 20 0 GCADHM CCS(=O)(=O)c1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736663035 598604025 /nfs/dbraw/zinc/60/40/25/598604025.db2.gz AZJFKIQKJMYGRM-UHFFFAOYSA-N -1 3 391.413 0.296 20 0 GCADHM CCS(=O)(=O)c1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736663035 598604026 /nfs/dbraw/zinc/60/40/26/598604026.db2.gz AZJFKIQKJMYGRM-UHFFFAOYSA-N -1 3 391.413 0.296 20 0 GCADHM Cc1ccccc1[C@@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)NC(N)=O ZINC000737425053 598604269 /nfs/dbraw/zinc/60/42/69/598604269.db2.gz YEJUFPFRYBNTDU-CYBMUJFWSA-N -1 3 399.415 0.297 20 0 GCADHM Cc1ccccc1[C@@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)NC(N)=O ZINC000737425053 598604271 /nfs/dbraw/zinc/60/42/71/598604271.db2.gz YEJUFPFRYBNTDU-CYBMUJFWSA-N -1 3 399.415 0.297 20 0 GCADHM CC(C)(C)c1noc(CCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)n1 ZINC000735654247 598604995 /nfs/dbraw/zinc/60/49/95/598604995.db2.gz CDZNCSMSTDWQIF-UHFFFAOYSA-N -1 3 375.393 0.502 20 0 GCADHM CC(C)(C)c1noc(CCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)n1 ZINC000735654247 598604996 /nfs/dbraw/zinc/60/49/96/598604996.db2.gz CDZNCSMSTDWQIF-UHFFFAOYSA-N -1 3 375.393 0.502 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)C=Cc1cnc2ccccc2n1 ZINC000737772263 598605016 /nfs/dbraw/zinc/60/50/16/598605016.db2.gz XCMPQFFOBBOJNP-WAYWQWQTSA-N -1 3 377.368 0.845 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)C=Cc1cnc2ccccc2n1 ZINC000737772263 598605017 /nfs/dbraw/zinc/60/50/17/598605017.db2.gz XCMPQFFOBBOJNP-WAYWQWQTSA-N -1 3 377.368 0.845 20 0 GCADHM O=C(NC1CCS(=O)(=O)CC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738038380 598605087 /nfs/dbraw/zinc/60/50/87/598605087.db2.gz ZBXJWHLNPSESIC-HNNXBMFYSA-N -1 3 390.469 0.529 20 0 GCADHM O=C(CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCCCC1 ZINC000738037054 598605282 /nfs/dbraw/zinc/60/52/82/598605282.db2.gz CUPQTYPDWFMPIN-INIZCTEOSA-N -1 3 383.456 0.964 20 0 GCADHM CSCCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737178259 598608087 /nfs/dbraw/zinc/60/80/87/598608087.db2.gz ZLOXFSQUXNHVQG-UHFFFAOYSA-N -1 3 396.498 0.453 20 0 GCADHM CSCCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737178259 598608088 /nfs/dbraw/zinc/60/80/88/598608088.db2.gz ZLOXFSQUXNHVQG-UHFFFAOYSA-N -1 3 396.498 0.453 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000736871169 598608129 /nfs/dbraw/zinc/60/81/29/598608129.db2.gz QZPTTYQGAIGWSN-MRXNPFEDSA-N -1 3 394.391 0.786 20 0 GCADHM Cc1cccc2nc(CNC(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)cn21 ZINC000737410604 598614299 /nfs/dbraw/zinc/61/42/99/598614299.db2.gz VUITYCIOCAYYNN-UHFFFAOYSA-N -1 3 390.407 0.869 20 0 GCADHM Cc1cccc2nc(CNC(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)cn21 ZINC000737410604 598614301 /nfs/dbraw/zinc/61/43/01/598614301.db2.gz VUITYCIOCAYYNN-UHFFFAOYSA-N -1 3 390.407 0.869 20 0 GCADHM C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc3n(c1-c1nnn[n-]1)CCS3)CS2 ZINC000736229173 598614803 /nfs/dbraw/zinc/61/48/03/598614803.db2.gz LHOJTACUFWYXLO-WJWGPLDTSA-N -1 3 392.470 0.561 20 0 GCADHM C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nc3n(c1-c1nn[n-]n1)CCS3)CS2 ZINC000736229173 598614805 /nfs/dbraw/zinc/61/48/05/598614805.db2.gz LHOJTACUFWYXLO-WJWGPLDTSA-N -1 3 392.470 0.561 20 0 GCADHM O=C(CCNC(=O)c1cccs1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737846174 598615398 /nfs/dbraw/zinc/61/53/98/598615398.db2.gz GQYKQIAYQDCTKY-UHFFFAOYSA-N -1 3 390.454 0.989 20 0 GCADHM O=C(CCNC(=O)c1cccs1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737846174 598615400 /nfs/dbraw/zinc/61/54/00/598615400.db2.gz GQYKQIAYQDCTKY-UHFFFAOYSA-N -1 3 390.454 0.989 20 0 GCADHM CC(=O)NCC1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735475740 598615437 /nfs/dbraw/zinc/61/54/37/598615437.db2.gz SCJQDRYFULMHDJ-MRXNPFEDSA-N -1 3 397.439 0.347 20 0 GCADHM CC(=O)N[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000735473640 598615492 /nfs/dbraw/zinc/61/54/92/598615492.db2.gz CFUHYWHGQPVTAQ-ZFWWWQNUSA-N -1 3 383.412 0.099 20 0 GCADHM CC(=O)N[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000735473640 598615493 /nfs/dbraw/zinc/61/54/93/598615493.db2.gz CFUHYWHGQPVTAQ-ZFWWWQNUSA-N -1 3 383.412 0.099 20 0 GCADHM CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736590125 598616074 /nfs/dbraw/zinc/61/60/74/598616074.db2.gz FGSCAKLNWAZVOI-DZGCQCFKSA-N -1 3 398.423 0.774 20 0 GCADHM CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736590125 598616075 /nfs/dbraw/zinc/61/60/75/598616075.db2.gz FGSCAKLNWAZVOI-DZGCQCFKSA-N -1 3 398.423 0.774 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000736883821 598617391 /nfs/dbraw/zinc/61/73/91/598617391.db2.gz SALOOHAXLBDSMK-LLVKDONJSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000736883821 598617393 /nfs/dbraw/zinc/61/73/93/598617393.db2.gz SALOOHAXLBDSMK-LLVKDONJSA-N -1 3 394.457 0.174 20 0 GCADHM NC(=O)CC[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000737749051 598617807 /nfs/dbraw/zinc/61/78/07/598617807.db2.gz VWNOGKQUBOFLAQ-SWLSCSKDSA-N -1 3 397.439 0.476 20 0 GCADHM NC(=O)CC[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000737749052 598617916 /nfs/dbraw/zinc/61/79/16/598617916.db2.gz VWNOGKQUBOFLAQ-WFASDCNBSA-N -1 3 397.439 0.476 20 0 GCADHM O=C(CCN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737840035 598618144 /nfs/dbraw/zinc/61/81/44/598618144.db2.gz YNXOBSHHPBKPBC-ZDUSSCGKSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CCN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737840035 598618146 /nfs/dbraw/zinc/61/81/46/598618146.db2.gz YNXOBSHHPBKPBC-ZDUSSCGKSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737864506 598618159 /nfs/dbraw/zinc/61/81/59/598618159.db2.gz YLQLEYLWWLAAKK-SNVBAGLBSA-N -1 3 382.471 0.518 20 0 GCADHM O=C(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737864506 598618160 /nfs/dbraw/zinc/61/81/60/598618160.db2.gz YLQLEYLWWLAAKK-SNVBAGLBSA-N -1 3 382.471 0.518 20 0 GCADHM O=S1(=O)CC[C@H](N(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000738358051 598618835 /nfs/dbraw/zinc/61/88/35/598618835.db2.gz UTDMFEPUJHLJRQ-GJZGRUSLSA-N -1 3 393.469 0.258 20 0 GCADHM O=S1(=O)CC[C@@H](N(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C2CC2)C1 ZINC000738358054 598618874 /nfs/dbraw/zinc/61/88/74/598618874.db2.gz UTDMFEPUJHLJRQ-HUUCEWRRSA-N -1 3 393.469 0.258 20 0 GCADHM O=C(COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000738219654 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GCADHM NS(=O)(=O)c1ccc(NCc2ccc(-n3ccnc3)nc2)c(-c2nnn[n-]2)c1 ZINC000737769904 598632257 /nfs/dbraw/zinc/63/22/57/598632257.db2.gz QKOFAWDBPGTGBZ-UHFFFAOYSA-N -1 3 397.424 0.707 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2ccc(-n3ccnc3)nc2)c(-c2nn[n-]n2)c1 ZINC000737769904 598632258 /nfs/dbraw/zinc/63/22/58/598632258.db2.gz QKOFAWDBPGTGBZ-UHFFFAOYSA-N -1 3 397.424 0.707 20 0 GCADHM CC(C)C(=O)NC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000735684197 598634216 /nfs/dbraw/zinc/63/42/16/598634216.db2.gz CSEGPFGCJMLRQT-UHFFFAOYSA-N -1 3 393.473 0.255 20 0 GCADHM CC(C)C(=O)NC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000735684197 598634218 /nfs/dbraw/zinc/63/42/18/598634218.db2.gz CSEGPFGCJMLRQT-UHFFFAOYSA-N -1 3 393.473 0.255 20 0 GCADHM O=C(NC[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738051664 598636119 /nfs/dbraw/zinc/63/61/19/598636119.db2.gz PHIVWSOPYFNDKF-NSHDSACASA-N -1 3 398.354 0.901 20 0 GCADHM O=C(NC[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738051664 598636121 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COCCNC(=O)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737007815 598681640 /nfs/dbraw/zinc/68/16/40/598681640.db2.gz YJKLFPFHLBBWPJ-UHFFFAOYSA-N -1 3 397.395 0.546 20 0 GCADHM COCCNC(=O)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737007815 598681644 /nfs/dbraw/zinc/68/16/44/598681644.db2.gz YJKLFPFHLBBWPJ-UHFFFAOYSA-N -1 3 397.395 0.546 20 0 GCADHM COc1ncnc(OC)c1C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737163411 598683364 /nfs/dbraw/zinc/68/33/64/598683364.db2.gz WYPRYQWQPUIMFC-UHFFFAOYSA-N -1 3 397.399 0.031 20 0 GCADHM COc1ncnc(OC)c1C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737163411 598683365 /nfs/dbraw/zinc/68/33/65/598683365.db2.gz WYPRYQWQPUIMFC-UHFFFAOYSA-N -1 3 397.399 0.031 20 0 GCADHM COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736913199 598684962 /nfs/dbraw/zinc/68/49/62/598684962.db2.gz WKAGPIQKYKOOIP-NOZJJQNGSA-N -1 3 394.819 0.721 20 0 GCADHM COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000736913199 598684964 /nfs/dbraw/zinc/68/49/64/598684964.db2.gz WKAGPIQKYKOOIP-NOZJJQNGSA-N -1 3 394.819 0.721 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000736881198 598685167 /nfs/dbraw/zinc/68/51/67/598685167.db2.gz ATPXHXRUDMSBAT-SNAWJCMRSA-N -1 3 393.411 0.258 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000736881198 598685169 /nfs/dbraw/zinc/68/51/69/598685169.db2.gz ATPXHXRUDMSBAT-SNAWJCMRSA-N -1 3 393.411 0.258 20 0 GCADHM COC(=O)[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000736912600 598685348 /nfs/dbraw/zinc/68/53/48/598685348.db2.gz QDSXSPSBSVIMCR-LBPRGKRZSA-N -1 3 380.792 0.332 20 0 GCADHM COC(=O)[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000736912600 598685350 /nfs/dbraw/zinc/68/53/50/598685350.db2.gz QDSXSPSBSVIMCR-LBPRGKRZSA-N -1 3 380.792 0.332 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN1c1nccs1 ZINC000738077610 598686121 /nfs/dbraw/zinc/68/61/21/598686121.db2.gz HDURLAAYNYMZDX-LBPRGKRZSA-N -1 3 385.457 0.915 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN1c1nccs1 ZINC000738077610 598686122 /nfs/dbraw/zinc/68/61/22/598686122.db2.gz HDURLAAYNYMZDX-LBPRGKRZSA-N -1 3 385.457 0.915 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737761296 598687096 /nfs/dbraw/zinc/68/70/96/598687096.db2.gz WSLWXBDQZCRPIQ-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM C[C@H](O)CN1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736146339 598688003 /nfs/dbraw/zinc/68/80/03/598688003.db2.gz HEOHCDHUVZLIQD-HNNXBMFYSA-N -1 3 388.472 0.941 20 0 GCADHM CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000736878494 598688215 /nfs/dbraw/zinc/68/82/15/598688215.db2.gz VGPLOUVBANQEON-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCc2nncn2C2CC2)cc1 ZINC000737775857 598689177 /nfs/dbraw/zinc/68/91/77/598689177.db2.gz GKUPOIARIYTVRM-UHFFFAOYSA-N -1 3 391.399 0.491 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCc2nncn2C2CC2)cc1 ZINC000737775857 598689179 /nfs/dbraw/zinc/68/91/79/598689179.db2.gz GKUPOIARIYTVRM-UHFFFAOYSA-N -1 3 391.399 0.491 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736181197 598689483 /nfs/dbraw/zinc/68/94/83/598689483.db2.gz KAVQRKIJYWJEPQ-NWDGAFQWSA-N -1 3 394.457 0.161 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736181197 598689484 /nfs/dbraw/zinc/68/94/84/598689484.db2.gz KAVQRKIJYWJEPQ-NWDGAFQWSA-N -1 3 394.457 0.161 20 0 GCADHM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735684128 598689724 /nfs/dbraw/zinc/68/97/24/598689724.db2.gz BVLZUMRTADXISR-UHFFFAOYSA-N -1 3 396.448 0.931 20 0 GCADHM CCc1nc(CN2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000736704880 598689880 /nfs/dbraw/zinc/68/98/80/598689880.db2.gz VMZOYDFFJCBRBF-UHFFFAOYSA-N -1 3 382.428 0.699 20 0 GCADHM CCc1nc(CN2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000736704880 598689881 /nfs/dbraw/zinc/68/98/81/598689881.db2.gz VMZOYDFFJCBRBF-UHFFFAOYSA-N -1 3 382.428 0.699 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736871342 598692949 /nfs/dbraw/zinc/69/29/49/598692949.db2.gz PTMHGSMZCKYIDG-UHFFFAOYSA-N -1 3 382.421 0.589 20 0 GCADHM CNC(=O)C1CCC(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736871342 598692951 /nfs/dbraw/zinc/69/29/51/598692951.db2.gz PTMHGSMZCKYIDG-UHFFFAOYSA-N -1 3 382.421 0.589 20 0 GCADHM COc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c(C(N)=O)c1 ZINC000737112317 598692999 /nfs/dbraw/zinc/69/29/99/598692999.db2.gz SUWGPBSQFRCCNO-UHFFFAOYSA-N -1 3 393.356 0.881 20 0 GCADHM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736747345 598693197 /nfs/dbraw/zinc/69/31/97/598693197.db2.gz RHZWXIHJXRQAMT-LLVKDONJSA-N -1 3 386.434 0.158 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000736171853 598696690 /nfs/dbraw/zinc/69/66/90/598696690.db2.gz YXZDWPQHMACXRU-CZUORRHYSA-N -1 3 383.412 0.758 20 0 GCADHM CCn1ccnc1CN1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736721835 598697216 /nfs/dbraw/zinc/69/72/16/598697216.db2.gz DZMXFQMXAIEFGV-UHFFFAOYSA-N -1 3 396.455 0.806 20 0 GCADHM CCn1ccnc1CN1CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736721835 598697218 /nfs/dbraw/zinc/69/72/18/598697218.db2.gz DZMXFQMXAIEFGV-UHFFFAOYSA-N -1 3 396.455 0.806 20 0 GCADHM O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737997833 598697728 /nfs/dbraw/zinc/69/77/28/598697728.db2.gz YIPUCCFZCFDYLP-KRWDZBQOSA-N -1 3 393.451 0.935 20 0 GCADHM O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737997833 598697730 /nfs/dbraw/zinc/69/77/30/598697730.db2.gz YIPUCCFZCFDYLP-KRWDZBQOSA-N -1 3 393.451 0.935 20 0 GCADHM CN(CCn1cccn1)CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736814525 598698666 /nfs/dbraw/zinc/69/86/66/598698666.db2.gz KYOKCCMVLKRDGB-UHFFFAOYSA-N -1 3 395.427 0.417 20 0 GCADHM CC=CC=CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736304889 598699671 /nfs/dbraw/zinc/69/96/71/598699671.db2.gz REQMZNNYISZEBK-IAROGAJJSA-N -1 3 388.453 0.832 20 0 GCADHM CC=CC=CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736304889 598699672 /nfs/dbraw/zinc/69/96/72/598699672.db2.gz REQMZNNYISZEBK-IAROGAJJSA-N -1 3 388.453 0.832 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCS(=O)CC1 ZINC000735571638 598700967 /nfs/dbraw/zinc/70/09/67/598700967.db2.gz ZQWXMPMAOCSJCY-SECBINFHSA-N -1 3 380.499 0.808 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCS(=O)CC1 ZINC000735571638 598700969 /nfs/dbraw/zinc/70/09/69/598700969.db2.gz ZQWXMPMAOCSJCY-SECBINFHSA-N -1 3 380.499 0.808 20 0 GCADHM O=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737877519 598702471 /nfs/dbraw/zinc/70/24/71/598702471.db2.gz MNLIBINRZGYUDI-JSGCOSHPSA-N -1 3 384.362 0.871 20 0 GCADHM O=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737877519 598702473 /nfs/dbraw/zinc/70/24/73/598702473.db2.gz MNLIBINRZGYUDI-JSGCOSHPSA-N -1 3 384.362 0.871 20 0 GCADHM O=C(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737862085 598702595 /nfs/dbraw/zinc/70/25/95/598702595.db2.gz JZLBQHFJHSKTAY-AWEZNQCLSA-N -1 3 376.442 0.457 20 0 GCADHM O=C(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737862085 598702596 /nfs/dbraw/zinc/70/25/96/598702596.db2.gz JZLBQHFJHSKTAY-AWEZNQCLSA-N -1 3 376.442 0.457 20 0 GCADHM CNC(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736871995 598705153 /nfs/dbraw/zinc/70/51/53/598705153.db2.gz VNBRAPGDDLBXRT-CMPLNLGQSA-N -1 3 375.433 0.862 20 0 GCADHM O=C(CN1CCCC[C@H]1CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737875500 598708531 /nfs/dbraw/zinc/70/85/31/598708531.db2.gz CWDRFVQDPHIZPL-KRWDZBQOSA-N -1 3 385.472 0.992 20 0 GCADHM COCCN(C)S(=O)(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736990203 598709213 /nfs/dbraw/zinc/70/92/13/598709213.db2.gz KPLKNMKZDGRPFG-UHFFFAOYSA-N -1 3 384.462 0.138 20 0 GCADHM COCCN(C)S(=O)(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736990203 598709214 /nfs/dbraw/zinc/70/92/14/598709214.db2.gz KPLKNMKZDGRPFG-UHFFFAOYSA-N -1 3 384.462 0.138 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736939245 598709249 /nfs/dbraw/zinc/70/92/49/598709249.db2.gz FKGDGLGJDRLMRM-UHFFFAOYSA-N -1 3 391.413 0.506 20 0 GCADHM COCCN(C)S(=O)(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736989743 598709441 /nfs/dbraw/zinc/70/94/41/598709441.db2.gz GQSDNUYOXVQXEN-UHFFFAOYSA-N -1 3 395.489 0.202 20 0 GCADHM COCCN(C)S(=O)(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736989743 598709442 /nfs/dbraw/zinc/70/94/42/598709442.db2.gz GQSDNUYOXVQXEN-UHFFFAOYSA-N -1 3 395.489 0.202 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000738303500 598711447 /nfs/dbraw/zinc/71/14/47/598711447.db2.gz QYNNFXBUGFTNEN-NSHDSACASA-N -1 3 394.432 0.781 20 0 GCADHM O=C([C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1)N1CCCC1 ZINC000737792612 598712695 /nfs/dbraw/zinc/71/26/95/598712695.db2.gz RLENALDSCREBKX-CQSZACIVSA-N -1 3 390.469 0.890 20 0 GCADHM O=C([C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1)N1CCCC1 ZINC000737792612 598712697 /nfs/dbraw/zinc/71/26/97/598712697.db2.gz RLENALDSCREBKX-CQSZACIVSA-N -1 3 390.469 0.890 20 0 GCADHM CCNC(=O)NC(=O)[C@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736576426 598714947 /nfs/dbraw/zinc/71/49/47/598714947.db2.gz RSTGTERDXQURGX-VIFPVBQESA-N -1 3 378.414 0.736 20 0 GCADHM CCNC(=O)NC(=O)[C@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736576426 598714948 /nfs/dbraw/zinc/71/49/48/598714948.db2.gz RSTGTERDXQURGX-VIFPVBQESA-N -1 3 378.414 0.736 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000736910780 598716642 /nfs/dbraw/zinc/71/66/42/598716642.db2.gz BNIBMAIAMKPBLP-NSHDSACASA-N -1 3 398.326 0.874 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000736910780 598716644 /nfs/dbraw/zinc/71/66/44/598716644.db2.gz BNIBMAIAMKPBLP-NSHDSACASA-N -1 3 398.326 0.874 20 0 GCADHM O=C(c1cnn2ccccc12)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738284727 598718471 /nfs/dbraw/zinc/71/84/71/598718471.db2.gz WJNAYEOAKSTCDP-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(c1cnn2ccccc12)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738284727 598718473 /nfs/dbraw/zinc/71/84/73/598718473.db2.gz WJNAYEOAKSTCDP-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737611366 598723527 /nfs/dbraw/zinc/72/35/27/598723527.db2.gz VUUSBXAVVPRRAC-CQSZACIVSA-N -1 3 383.368 0.328 20 0 GCADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)NC(N)=O ZINC000736149996 598724761 /nfs/dbraw/zinc/72/47/61/598724761.db2.gz MDSFIDQOIZUPAX-SNVBAGLBSA-N -1 3 376.373 0.542 20 0 GCADHM C[C@@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)NC(N)=O ZINC000736149996 598724762 /nfs/dbraw/zinc/72/47/62/598724762.db2.gz MDSFIDQOIZUPAX-SNVBAGLBSA-N -1 3 376.373 0.542 20 0 GCADHM CCn1nc(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1=O ZINC000736727714 598724764 /nfs/dbraw/zinc/72/47/64/598724764.db2.gz DJKRYCRKCGZNJP-AWEZNQCLSA-N -1 3 395.379 0.406 20 0 GCADHM CCn1nc(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1=O ZINC000736727714 598724765 /nfs/dbraw/zinc/72/47/65/598724765.db2.gz DJKRYCRKCGZNJP-AWEZNQCLSA-N -1 3 395.379 0.406 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@H]1CCCC[C@H]1O ZINC000738032601 598726243 /nfs/dbraw/zinc/72/62/43/598726243.db2.gz OUYVPCPIANVVJI-LSDHHAIUSA-N -1 3 386.460 0.833 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@H]1CCCC[C@H]1O ZINC000738032601 598726245 /nfs/dbraw/zinc/72/62/45/598726245.db2.gz OUYVPCPIANVVJI-LSDHHAIUSA-N -1 3 386.460 0.833 20 0 GCADHM CNC(=O)NC(=O)COC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736878325 598726439 /nfs/dbraw/zinc/72/64/39/598726439.db2.gz DFFDSAZEKDNQEC-UHFFFAOYSA-N -1 3 376.373 0.415 20 0 GCADHM CNC(=O)NC(=O)COC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736878325 598726441 /nfs/dbraw/zinc/72/64/41/598726441.db2.gz DFFDSAZEKDNQEC-UHFFFAOYSA-N -1 3 376.373 0.415 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCC(=O)N1CCNC1=O ZINC000737841607 598727110 /nfs/dbraw/zinc/72/71/10/598727110.db2.gz OTRZPRRYJBWSDP-UHFFFAOYSA-N -1 3 388.384 0.511 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCC(=O)N1CCNC1=O ZINC000737841607 598727111 /nfs/dbraw/zinc/72/71/11/598727111.db2.gz OTRZPRRYJBWSDP-UHFFFAOYSA-N -1 3 388.384 0.511 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000737055512 598727295 /nfs/dbraw/zinc/72/72/95/598727295.db2.gz GNTNVPOUANDEAC-CQSZACIVSA-N -1 3 396.411 0.911 20 0 GCADHM COCCOCCCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737006957 598727465 /nfs/dbraw/zinc/72/74/65/598727465.db2.gz VZSVSCNGBWUFQB-UHFFFAOYSA-N -1 3 390.448 0.146 20 0 GCADHM COCCOCCCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737006957 598727467 /nfs/dbraw/zinc/72/74/67/598727467.db2.gz VZSVSCNGBWUFQB-UHFFFAOYSA-N -1 3 390.448 0.146 20 0 GCADHM COCCOCCCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737006549 598727607 /nfs/dbraw/zinc/72/76/07/598727607.db2.gz ROEWMGMWSPOXGQ-UHFFFAOYSA-N -1 3 390.448 0.146 20 0 GCADHM COCCOCCCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737006549 598727609 /nfs/dbraw/zinc/72/76/09/598727609.db2.gz ROEWMGMWSPOXGQ-UHFFFAOYSA-N -1 3 390.448 0.146 20 0 GCADHM CCNC(=O)NC(=O)[C@@H](C)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821285602 607365570 /nfs/dbraw/zinc/36/55/70/607365570.db2.gz LKNHJNLWLLLSGS-GFCCVEGCSA-N -1 3 375.433 0.549 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N1CCn2cnnc2C1 ZINC000738084977 598731268 /nfs/dbraw/zinc/73/12/68/598731268.db2.gz AHEISSLNAJEPKV-UHFFFAOYSA-N -1 3 385.457 0.917 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N1CCn2cnnc2C1 ZINC000738084977 598731269 /nfs/dbraw/zinc/73/12/69/598731269.db2.gz AHEISSLNAJEPKV-UHFFFAOYSA-N -1 3 385.457 0.917 20 0 GCADHM CNC(=O)CCN(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736871141 598732370 /nfs/dbraw/zinc/73/23/70/598732370.db2.gz QJWMYGCHWJSPMU-UHFFFAOYSA-N -1 3 387.448 0.008 20 0 GCADHM CNC(=O)CCN(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736871141 598732372 /nfs/dbraw/zinc/73/23/72/598732372.db2.gz QJWMYGCHWJSPMU-UHFFFAOYSA-N -1 3 387.448 0.008 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737312592 598732752 /nfs/dbraw/zinc/73/27/52/598732752.db2.gz LEUYZTCPRZUXBD-UHFFFAOYSA-N -1 3 393.407 0.660 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737312592 598732754 /nfs/dbraw/zinc/73/27/54/598732754.db2.gz LEUYZTCPRZUXBD-UHFFFAOYSA-N -1 3 393.407 0.660 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000738079371 598733117 /nfs/dbraw/zinc/73/31/17/598733117.db2.gz ZDGHNMGQYWBWAO-ZDUSSCGKSA-N -1 3 399.459 0.470 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000738079371 598733118 /nfs/dbraw/zinc/73/31/18/598733118.db2.gz ZDGHNMGQYWBWAO-ZDUSSCGKSA-N -1 3 399.459 0.470 20 0 GCADHM O=C(CN1C(=O)COc2ccccc21)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737877679 598735987 /nfs/dbraw/zinc/73/59/87/598735987.db2.gz LXPMNNBHCBSFSS-UHFFFAOYSA-N -1 3 395.379 0.642 20 0 GCADHM O=C(CN1C(=O)COc2ccccc21)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737877679 598735988 /nfs/dbraw/zinc/73/59/88/598735988.db2.gz LXPMNNBHCBSFSS-UHFFFAOYSA-N -1 3 395.379 0.642 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000738222274 598736145 /nfs/dbraw/zinc/73/61/45/598736145.db2.gz DBSGNJNHQJRFSZ-GFCCVEGCSA-N -1 3 397.395 0.859 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000738222274 598736147 /nfs/dbraw/zinc/73/61/47/598736147.db2.gz DBSGNJNHQJRFSZ-GFCCVEGCSA-N -1 3 397.395 0.859 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000738222276 598736360 /nfs/dbraw/zinc/73/63/60/598736360.db2.gz DBSGNJNHQJRFSZ-LBPRGKRZSA-N -1 3 397.395 0.859 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000738222276 598736362 /nfs/dbraw/zinc/73/63/62/598736362.db2.gz DBSGNJNHQJRFSZ-LBPRGKRZSA-N -1 3 397.395 0.859 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)OCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000736882568 598737004 /nfs/dbraw/zinc/73/70/04/598737004.db2.gz KQZXCQGJDSKSLX-SNAWJCMRSA-N -1 3 394.395 0.685 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)OCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000736882568 598737006 /nfs/dbraw/zinc/73/70/06/598737006.db2.gz KQZXCQGJDSKSLX-SNAWJCMRSA-N -1 3 394.395 0.685 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737168053 598737235 /nfs/dbraw/zinc/73/72/35/598737235.db2.gz YFCMZVZJBQQNDQ-GFCCVEGCSA-N -1 3 395.445 0.031 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737168053 598737237 /nfs/dbraw/zinc/73/72/37/598737237.db2.gz YFCMZVZJBQQNDQ-GFCCVEGCSA-N -1 3 395.445 0.031 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000738224460 598737697 /nfs/dbraw/zinc/73/76/97/598737697.db2.gz RHONFZPOQHBUEK-VIFPVBQESA-N -1 3 399.333 0.628 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000738224460 598737698 /nfs/dbraw/zinc/73/76/98/598737698.db2.gz RHONFZPOQHBUEK-VIFPVBQESA-N -1 3 399.333 0.628 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826223699 607365831 /nfs/dbraw/zinc/36/58/31/607365831.db2.gz WOLIWMYKNKPUPP-CYBMUJFWSA-N -1 3 393.425 0.407 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826223699 607365833 /nfs/dbraw/zinc/36/58/33/607365833.db2.gz WOLIWMYKNKPUPP-CYBMUJFWSA-N -1 3 393.425 0.407 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736181838 598742867 /nfs/dbraw/zinc/74/28/67/598742867.db2.gz BLJJFYVWHMWQQV-ONGXEEELSA-N -1 3 398.345 0.913 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736181838 598742868 /nfs/dbraw/zinc/74/28/68/598742868.db2.gz BLJJFYVWHMWQQV-ONGXEEELSA-N -1 3 398.345 0.913 20 0 GCADHM Cn1nc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)ccc1=O ZINC000737622217 598747276 /nfs/dbraw/zinc/74/72/76/598747276.db2.gz KXRLWQYWQWJLST-UHFFFAOYSA-N -1 3 381.396 0.644 20 0 GCADHM Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000737443976 598748956 /nfs/dbraw/zinc/74/89/56/598748956.db2.gz KJCBHDDSZPPAFD-CYBMUJFWSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000737443976 598748958 /nfs/dbraw/zinc/74/89/58/598748958.db2.gz KJCBHDDSZPPAFD-CYBMUJFWSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737446351 598749838 /nfs/dbraw/zinc/74/98/38/598749838.db2.gz XOZCNZPQGADUSH-MRXNPFEDSA-N -1 3 382.428 0.982 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737446351 598749839 /nfs/dbraw/zinc/74/98/39/598749839.db2.gz XOZCNZPQGADUSH-MRXNPFEDSA-N -1 3 382.428 0.982 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000737026524 598754763 /nfs/dbraw/zinc/75/47/63/598754763.db2.gz XWKARZUVEKUYQP-JTQLQIEISA-N -1 3 383.430 0.146 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000737026524 598754764 /nfs/dbraw/zinc/75/47/64/598754764.db2.gz XWKARZUVEKUYQP-JTQLQIEISA-N -1 3 383.430 0.146 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c[nH]1 ZINC000737754031 598755155 /nfs/dbraw/zinc/75/51/55/598755155.db2.gz BOEVRPSDUFQUDK-UHFFFAOYSA-N -1 3 381.396 0.977 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736037491 598756940 /nfs/dbraw/zinc/75/69/40/598756940.db2.gz HIBHBFSXDLHOCK-MRVPVSSYSA-N -1 3 393.878 0.574 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736037491 598756941 /nfs/dbraw/zinc/75/69/41/598756941.db2.gz HIBHBFSXDLHOCK-MRVPVSSYSA-N -1 3 393.878 0.574 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000735660767 598756970 /nfs/dbraw/zinc/75/69/70/598756970.db2.gz OZWWCQPLZKSGMI-SNVBAGLBSA-N -1 3 382.450 0.318 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000735660767 598756972 /nfs/dbraw/zinc/75/69/72/598756972.db2.gz OZWWCQPLZKSGMI-SNVBAGLBSA-N -1 3 382.450 0.318 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000736501495 598762111 /nfs/dbraw/zinc/76/21/11/598762111.db2.gz CTSMNBBXIQAXOD-NEPJUHHUSA-N -1 3 379.442 0.670 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000736501495 598762112 /nfs/dbraw/zinc/76/21/12/598762112.db2.gz CTSMNBBXIQAXOD-NEPJUHHUSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000736191259 598762132 /nfs/dbraw/zinc/76/21/32/598762132.db2.gz YOHAIBMGFRNYBR-SNVBAGLBSA-N -1 3 388.409 0.920 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000736191259 598762133 /nfs/dbraw/zinc/76/21/33/598762133.db2.gz YOHAIBMGFRNYBR-SNVBAGLBSA-N -1 3 388.409 0.920 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCC[S@](=O)C(C)(C)C ZINC000737024369 598767621 /nfs/dbraw/zinc/76/76/21/598767621.db2.gz RCGHKWJQZZPTPF-SANMLTNESA-N -1 3 381.458 0.918 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCC[S@](=O)C(C)(C)C ZINC000737024369 598767623 /nfs/dbraw/zinc/76/76/23/598767623.db2.gz RCGHKWJQZZPTPF-SANMLTNESA-N -1 3 381.458 0.918 20 0 GCADHM COCC1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CC1 ZINC000736973551 598769174 /nfs/dbraw/zinc/76/91/74/598769174.db2.gz SMFQQDLERKDTRY-LJQANCHMSA-N -1 3 399.455 0.950 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000826164049 607366712 /nfs/dbraw/zinc/36/67/12/607366712.db2.gz WYGNYNYJNMLACQ-UHFFFAOYSA-N -1 3 383.364 0.715 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000826164049 607366713 /nfs/dbraw/zinc/36/67/13/607366713.db2.gz WYGNYNYJNMLACQ-UHFFFAOYSA-N -1 3 383.364 0.715 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000826163722 607366715 /nfs/dbraw/zinc/36/67/15/607366715.db2.gz IJFANQJFRNQVIW-UHFFFAOYSA-N -1 3 383.364 0.715 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000826163722 607366716 /nfs/dbraw/zinc/36/67/16/607366716.db2.gz IJFANQJFRNQVIW-UHFFFAOYSA-N -1 3 383.364 0.715 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735538964 598772431 /nfs/dbraw/zinc/77/24/31/598772431.db2.gz ZGXRLFXSBPBXAH-CYBMUJFWSA-N -1 3 398.471 0.361 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735538964 598772433 /nfs/dbraw/zinc/77/24/33/598772433.db2.gz ZGXRLFXSBPBXAH-CYBMUJFWSA-N -1 3 398.471 0.361 20 0 GCADHM CS(=O)(=O)CCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737161989 598772975 /nfs/dbraw/zinc/77/29/75/598772975.db2.gz GOTJFXSFWMJZSK-UHFFFAOYSA-N -1 3 394.457 0.464 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@H]1Cn1cncn1 ZINC000738347666 598777475 /nfs/dbraw/zinc/77/74/75/598777475.db2.gz MJZBEDRZQBOOOF-JTQLQIEISA-N -1 3 394.848 0.965 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@H]1Cn1cncn1 ZINC000738347666 598777478 /nfs/dbraw/zinc/77/74/78/598777478.db2.gz MJZBEDRZQBOOOF-JTQLQIEISA-N -1 3 394.848 0.965 20 0 GCADHM Cc1ccccc1[C@H](O)CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737421776 598780009 /nfs/dbraw/zinc/78/00/09/598780009.db2.gz NNWLFJFBBRBRAM-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1ccccc1[C@H](O)CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737421776 598780010 /nfs/dbraw/zinc/78/00/10/598780010.db2.gz NNWLFJFBBRBRAM-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM O=C(COC(=O)C1(O)CCOCC1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737900461 598781506 /nfs/dbraw/zinc/78/15/06/598781506.db2.gz KMOZUEUQFOMJDW-UHFFFAOYSA-N -1 3 381.776 0.543 20 0 GCADHM O=C(COC(=O)C1(O)CCOCC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737900461 598781508 /nfs/dbraw/zinc/78/15/08/598781508.db2.gz KMOZUEUQFOMJDW-UHFFFAOYSA-N -1 3 381.776 0.543 20 0 GCADHM CC(C)[C@](C)(O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735690673 598782250 /nfs/dbraw/zinc/78/22/50/598782250.db2.gz BLFAKVCCURADOZ-GOSISDBHSA-N -1 3 388.476 0.937 20 0 GCADHM CC(C)[C@](C)(O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735690673 598782252 /nfs/dbraw/zinc/78/22/52/598782252.db2.gz BLFAKVCCURADOZ-GOSISDBHSA-N -1 3 388.476 0.937 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)C(C)(C)C ZINC000736634876 598784043 /nfs/dbraw/zinc/78/40/43/598784043.db2.gz KAPVISDSQTYJHP-ZDUSSCGKSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)C(C)(C)C ZINC000736634876 598784044 /nfs/dbraw/zinc/78/40/44/598784044.db2.gz KAPVISDSQTYJHP-ZDUSSCGKSA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)c1ccccc1C ZINC000737056974 598784464 /nfs/dbraw/zinc/78/44/64/598784464.db2.gz FNCPRBZYQHFGPP-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)c1ccccc1C ZINC000737056974 598784466 /nfs/dbraw/zinc/78/44/66/598784466.db2.gz FNCPRBZYQHFGPP-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000738177618 598784579 /nfs/dbraw/zinc/78/45/79/598784579.db2.gz KPQHYWGFYYCYQG-OAHLLOKOSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000738177618 598784580 /nfs/dbraw/zinc/78/45/80/598784580.db2.gz KPQHYWGFYYCYQG-OAHLLOKOSA-N -1 3 397.439 0.809 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H]1Cn1cncn1 ZINC000737058499 598784675 /nfs/dbraw/zinc/78/46/75/598784675.db2.gz YJDVFTOGHWDMSF-LBPRGKRZSA-N -1 3 397.399 0.097 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000738162079 598784707 /nfs/dbraw/zinc/78/47/07/598784707.db2.gz ISEAEPFMVHUNHG-LLVKDONJSA-N -1 3 385.363 0.227 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000738162079 598784708 /nfs/dbraw/zinc/78/47/08/598784708.db2.gz ISEAEPFMVHUNHG-LLVKDONJSA-N -1 3 385.363 0.227 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000736502303 598792552 /nfs/dbraw/zinc/79/25/52/598792552.db2.gz LMPLKYNWWLXQFU-NWDGAFQWSA-N -1 3 381.458 0.916 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nnn[n-]2)cc1OC)[C@H](C)CS(C)(=O)=O ZINC000736504208 598792631 /nfs/dbraw/zinc/79/26/31/598792631.db2.gz BSXYXPNJZKCKDE-LLVKDONJSA-N -1 3 397.457 0.536 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1OC)[C@H](C)CS(C)(=O)=O ZINC000736504208 598792633 /nfs/dbraw/zinc/79/26/33/598792633.db2.gz BSXYXPNJZKCKDE-LLVKDONJSA-N -1 3 397.457 0.536 20 0 GCADHM O=C(N[C@@H]1CCc2ncnn2C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738038306 598794000 /nfs/dbraw/zinc/79/40/00/598794000.db2.gz YNCSTVOQBLCJHV-UKRRQHHQSA-N -1 3 379.428 0.558 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@@H](O)Cc1ccccc1 ZINC000738078626 598801153 /nfs/dbraw/zinc/80/11/53/598801153.db2.gz TYOLJSPQGJAPRT-HNNXBMFYSA-N -1 3 382.428 0.576 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@@H](O)Cc1ccccc1 ZINC000738078626 598801154 /nfs/dbraw/zinc/80/11/54/598801154.db2.gz TYOLJSPQGJAPRT-HNNXBMFYSA-N -1 3 382.428 0.576 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000735906349 598803624 /nfs/dbraw/zinc/80/36/24/598803624.db2.gz SLZRVGGVUDCZTD-UHFFFAOYSA-N -1 3 387.356 0.013 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000735906349 598803626 /nfs/dbraw/zinc/80/36/26/598803626.db2.gz SLZRVGGVUDCZTD-UHFFFAOYSA-N -1 3 387.356 0.013 20 0 GCADHM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(-c3nnn[n-]3)cn1)C2=O ZINC000736261625 598805581 /nfs/dbraw/zinc/80/55/81/598805581.db2.gz LCYJWEFYJWCBSE-BMLIUANNSA-N -1 3 384.400 0.701 20 0 GCADHM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(-c3nn[n-]n3)cn1)C2=O ZINC000736261625 598805582 /nfs/dbraw/zinc/80/55/82/598805582.db2.gz LCYJWEFYJWCBSE-BMLIUANNSA-N -1 3 384.400 0.701 20 0 GCADHM CCN1C(=S)N=NC1CNC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000736713162 598808855 /nfs/dbraw/zinc/80/88/55/598808855.db2.gz GQOSIKILWAIJMK-UHFFFAOYSA-N -1 3 390.429 0.471 20 0 GCADHM CCN1C(=S)N=NC1CNC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000736713162 598808857 /nfs/dbraw/zinc/80/88/57/598808857.db2.gz GQOSIKILWAIJMK-UHFFFAOYSA-N -1 3 390.429 0.471 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000736820082 598808954 /nfs/dbraw/zinc/80/89/54/598808954.db2.gz LCIFHXGIZRSWQY-UHFFFAOYSA-N -1 3 386.437 0.715 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000736820082 598808955 /nfs/dbraw/zinc/80/89/55/598808955.db2.gz LCIFHXGIZRSWQY-UHFFFAOYSA-N -1 3 386.437 0.715 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000736657816 598809721 /nfs/dbraw/zinc/80/97/21/598809721.db2.gz XPMWKFCDOMBDOJ-LLVKDONJSA-N -1 3 397.457 0.536 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000736657816 598809723 /nfs/dbraw/zinc/80/97/23/598809723.db2.gz XPMWKFCDOMBDOJ-LLVKDONJSA-N -1 3 397.457 0.536 20 0 GCADHM O=C(COC(=O)[C@@H](CO)NC(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826414879 607367290 /nfs/dbraw/zinc/36/72/90/607367290.db2.gz KTEUXSYREDJUKV-OAHLLOKOSA-N -1 3 395.375 0.384 20 0 GCADHM O=C(COC(=O)[C@@H](CO)NC(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826414879 607367291 /nfs/dbraw/zinc/36/72/91/607367291.db2.gz KTEUXSYREDJUKV-OAHLLOKOSA-N -1 3 395.375 0.384 20 0 GCADHM O=C(CCN1CCS(=O)CC1)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737847298 598811746 /nfs/dbraw/zinc/81/17/46/598811746.db2.gz OOWVWVXQBLUBEE-UHFFFAOYSA-N -1 3 380.499 0.810 20 0 GCADHM O=C(CCN1CCS(=O)CC1)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737847298 598811748 /nfs/dbraw/zinc/81/17/48/598811748.db2.gz OOWVWVXQBLUBEE-UHFFFAOYSA-N -1 3 380.499 0.810 20 0 GCADHM O=C(COC(=O)[C@H](CO)NC(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826414878 607367414 /nfs/dbraw/zinc/36/74/14/607367414.db2.gz KTEUXSYREDJUKV-HNNXBMFYSA-N -1 3 395.375 0.384 20 0 GCADHM O=C(COC(=O)[C@H](CO)NC(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826414878 607367415 /nfs/dbraw/zinc/36/74/15/607367415.db2.gz KTEUXSYREDJUKV-HNNXBMFYSA-N -1 3 395.375 0.384 20 0 GCADHM CN1C(=S)N=NC1CNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737595560 598815092 /nfs/dbraw/zinc/81/50/92/598815092.db2.gz HWHXUHWPIXJCRO-UHFFFAOYSA-N -1 3 376.471 0.834 20 0 GCADHM CN1C(=S)N=NC1CNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737595560 598815093 /nfs/dbraw/zinc/81/50/93/598815093.db2.gz HWHXUHWPIXJCRO-UHFFFAOYSA-N -1 3 376.471 0.834 20 0 GCADHM NC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737745484 598816596 /nfs/dbraw/zinc/81/65/96/598816596.db2.gz OSCYNWYDYCJOFQ-MRVPVSSYSA-N -1 3 377.792 0.183 20 0 GCADHM NC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737745484 598816598 /nfs/dbraw/zinc/81/65/98/598816598.db2.gz OSCYNWYDYCJOFQ-MRVPVSSYSA-N -1 3 377.792 0.183 20 0 GCADHM C[C@H]1Oc2c(cccc2C(=O)NCCNc2ncccc2-c2nnn[n-]2)NC1=O ZINC000736304377 598818168 /nfs/dbraw/zinc/81/81/68/598818168.db2.gz VFPKWXSZJIBGON-SNVBAGLBSA-N -1 3 394.395 0.823 20 0 GCADHM C[C@H]1Oc2c(cccc2C(=O)NCCNc2ncccc2-c2nn[n-]n2)NC1=O ZINC000736304377 598818170 /nfs/dbraw/zinc/81/81/70/598818170.db2.gz VFPKWXSZJIBGON-SNVBAGLBSA-N -1 3 394.395 0.823 20 0 GCADHM CCN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000736520817 598819915 /nfs/dbraw/zinc/81/99/15/598819915.db2.gz COBWXBKOOLKWRH-UKRRQHHQSA-N -1 3 397.501 0.752 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)CCN2CCCC2=O)c(-c2nnn[n-]2)c1C ZINC000737549432 598820730 /nfs/dbraw/zinc/82/07/30/598820730.db2.gz VCLJJTFCONYRPG-LLVKDONJSA-N -1 3 375.433 0.958 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)CCN2CCCC2=O)c(-c2nn[n-]n2)c1C ZINC000737549432 598820732 /nfs/dbraw/zinc/82/07/32/598820732.db2.gz VCLJJTFCONYRPG-LLVKDONJSA-N -1 3 375.433 0.958 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000737793543 598821808 /nfs/dbraw/zinc/82/18/08/598821808.db2.gz ZORHKZRACIKJRP-INIZCTEOSA-N -1 3 399.455 0.519 20 0 GCADHM COCCN(CCC(=O)OC)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736995626 598822594 /nfs/dbraw/zinc/82/25/94/598822594.db2.gz VHDKEDRAQAEBGJ-GFCCVEGCSA-N -1 3 377.401 0.672 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000736180364 598822822 /nfs/dbraw/zinc/82/28/22/598822822.db2.gz HIYDKIYQPKXSSC-SRVKXCTJSA-N -1 3 381.458 0.914 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000736180364 598822823 /nfs/dbraw/zinc/82/28/23/598822823.db2.gz HIYDKIYQPKXSSC-SRVKXCTJSA-N -1 3 381.458 0.914 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)COc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736037046 598822973 /nfs/dbraw/zinc/82/29/73/598822973.db2.gz CPAMTSMAIUZXPQ-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)COc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736037046 598822974 /nfs/dbraw/zinc/82/29/74/598822974.db2.gz CPAMTSMAIUZXPQ-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736180362 598823038 /nfs/dbraw/zinc/82/30/38/598823038.db2.gz HIYDKIYQPKXSSC-GRYCIOLGSA-N -1 3 381.458 0.914 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736180362 598823039 /nfs/dbraw/zinc/82/30/39/598823039.db2.gz HIYDKIYQPKXSSC-GRYCIOLGSA-N -1 3 381.458 0.914 20 0 GCADHM c1cnnc(NC[C@H]2CN(CCOc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000738420218 599293119 /nfs/dbraw/zinc/29/31/19/599293119.db2.gz ZLSZWWMSAVZASO-INIZCTEOSA-N -1 3 382.428 0.848 20 0 GCADHM c1cnnc(NC[C@H]2CN(CCOc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000738420218 599293121 /nfs/dbraw/zinc/29/31/21/599293121.db2.gz ZLSZWWMSAVZASO-INIZCTEOSA-N -1 3 382.428 0.848 20 0 GCADHM CC[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000736408899 599299323 /nfs/dbraw/zinc/29/93/23/599299323.db2.gz KSOZPJMKIQEZBX-YOEHRIQHSA-N -1 3 386.456 0.815 20 0 GCADHM NC(=O)c1ccc(OCC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cc1 ZINC000737760666 599299956 /nfs/dbraw/zinc/29/99/56/599299956.db2.gz JDGPISAOPBFBJA-UHFFFAOYSA-N -1 3 386.397 0.285 20 0 GCADHM NC(=O)c1ccc(OCC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cc1 ZINC000737760666 599299960 /nfs/dbraw/zinc/29/99/60/599299960.db2.gz JDGPISAOPBFBJA-UHFFFAOYSA-N -1 3 386.397 0.285 20 0 GCADHM O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737874972 599301615 /nfs/dbraw/zinc/30/16/15/599301615.db2.gz GWKRMEAVOYPNGH-CYBMUJFWSA-N -1 3 391.863 0.865 20 0 GCADHM O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737874972 599301618 /nfs/dbraw/zinc/30/16/18/599301618.db2.gz GWKRMEAVOYPNGH-CYBMUJFWSA-N -1 3 391.863 0.865 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H](N3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737547300 599302087 /nfs/dbraw/zinc/30/20/87/599302087.db2.gz JVDSCAQADIJWSM-TZMCWYRMSA-N -1 3 389.460 0.810 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H](N3CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000737547300 599302090 /nfs/dbraw/zinc/30/20/90/599302090.db2.gz JVDSCAQADIJWSM-TZMCWYRMSA-N -1 3 389.460 0.810 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000737222369 599303787 /nfs/dbraw/zinc/30/37/87/599303787.db2.gz ZDZAQYDECFCKLV-AWEZNQCLSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000737222369 599303792 /nfs/dbraw/zinc/30/37/92/599303792.db2.gz ZDZAQYDECFCKLV-AWEZNQCLSA-N -1 3 378.458 0.270 20 0 GCADHM O=C(c1nccn2ccnc12)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823498268 599317348 /nfs/dbraw/zinc/31/73/48/599317348.db2.gz JLYCAHCRERGABM-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM O=C(c1nccn2ccnc12)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823498268 599317351 /nfs/dbraw/zinc/31/73/51/599317351.db2.gz JLYCAHCRERGABM-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c[nH]1 ZINC000737226691 599319662 /nfs/dbraw/zinc/31/96/62/599319662.db2.gz YURYEWAGGNBAJP-UHFFFAOYSA-N -1 3 383.387 0.965 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c[nH]1 ZINC000737226691 599319665 /nfs/dbraw/zinc/31/96/65/599319665.db2.gz YURYEWAGGNBAJP-UHFFFAOYSA-N -1 3 383.387 0.965 20 0 GCADHM CCN1CCO[C@H](C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736567642 599320406 /nfs/dbraw/zinc/32/04/06/599320406.db2.gz CHNTVBJKCNFKMU-KRWDZBQOSA-N -1 3 385.472 0.626 20 0 GCADHM O=C(c1nccn2ccnc12)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823498674 599320727 /nfs/dbraw/zinc/32/07/27/599320727.db2.gz YFHUHPFWTQNPRI-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(c1nccn2ccnc12)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823498674 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380.405 0.293 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000820674873 599374013 /nfs/dbraw/zinc/37/40/13/599374013.db2.gz GWLVCJFXZPVKKG-JRKPZEMJSA-N -1 3 380.405 0.293 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822527748 599381377 /nfs/dbraw/zinc/38/13/77/599381377.db2.gz CBRPUSUKCVSCKI-UHFFFAOYSA-N -1 3 389.441 0.982 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822527748 599381379 /nfs/dbraw/zinc/38/13/79/599381379.db2.gz CBRPUSUKCVSCKI-UHFFFAOYSA-N -1 3 389.441 0.982 20 0 GCADHM O=C(c1sccc1-c1nnn[n-]1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738290572 599389867 /nfs/dbraw/zinc/38/98/67/599389867.db2.gz QQXUMILCTZSABK-UHFFFAOYSA-N -1 3 382.413 0.328 20 0 GCADHM O=C(c1sccc1-c1nn[n-]n1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738290572 599389870 /nfs/dbraw/zinc/38/98/70/599389870.db2.gz QQXUMILCTZSABK-UHFFFAOYSA-N -1 3 382.413 0.328 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC1(C)OCCO1 ZINC000820261053 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C[C@@H](NC(=O)NCCN1C(=O)CSC1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820367966 599425470 /nfs/dbraw/zinc/42/54/70/599425470.db2.gz WNRXPJWDGWRZQK-SECBINFHSA-N -1 3 375.414 0.922 20 0 GCADHM C[C@@H](NC(=O)NCCN1C(=O)CSC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820367966 599425473 /nfs/dbraw/zinc/42/54/73/599425473.db2.gz WNRXPJWDGWRZQK-SECBINFHSA-N -1 3 375.414 0.922 20 0 GCADHM C[C@H](NC(=O)NCCN1CCCS1(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820367454 599427203 /nfs/dbraw/zinc/42/72/03/599427203.db2.gz SWWGNPFOPWUZTN-NSHDSACASA-N -1 3 379.446 0.262 20 0 GCADHM C[C@H](NC(=O)NCCN1CCCS1(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820367454 599427205 /nfs/dbraw/zinc/42/72/05/599427205.db2.gz SWWGNPFOPWUZTN-NSHDSACASA-N -1 3 379.446 0.262 20 0 GCADHM C[C@@H](NC(=O)NCCN1CCCS1(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820367453 599427273 /nfs/dbraw/zinc/42/72/73/599427273.db2.gz SWWGNPFOPWUZTN-LLVKDONJSA-N -1 3 379.446 0.262 20 0 GCADHM C[C@@H](NC(=O)NCCN1CCCS1(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820367453 599427276 /nfs/dbraw/zinc/42/72/76/599427276.db2.gz SWWGNPFOPWUZTN-LLVKDONJSA-N -1 3 379.446 0.262 20 0 GCADHM NC(=O)C1CCN(c2ncccc2CNc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000737746281 599430313 /nfs/dbraw/zinc/43/03/13/599430313.db2.gz QUCWGZNBCZECET-UHFFFAOYSA-N -1 3 379.428 0.971 20 0 GCADHM O=C(NCCCN1CCCS1(=O)=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823192677 599432258 /nfs/dbraw/zinc/43/22/58/599432258.db2.gz YSMRVELIGPQGRT-UHFFFAOYSA-N -1 3 397.436 0.231 20 0 GCADHM O=C(NCCCN1CCCS1(=O)=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823192677 599432260 /nfs/dbraw/zinc/43/22/60/599432260.db2.gz YSMRVELIGPQGRT-UHFFFAOYSA-N -1 3 397.436 0.231 20 0 GCADHM C[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1nnc2n1CCC2 ZINC000820366509 599437879 /nfs/dbraw/zinc/43/78/79/599437879.db2.gz OQUNFVBVCUTVBO-LLVKDONJSA-N -1 3 383.416 0.844 20 0 GCADHM C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820358341 599438232 /nfs/dbraw/zinc/43/82/32/599438232.db2.gz MMCAWEWTHATPOE-JTQLQIEISA-N -1 3 381.462 0.555 20 0 GCADHM C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820358341 599438235 /nfs/dbraw/zinc/43/82/35/599438235.db2.gz MMCAWEWTHATPOE-JTQLQIEISA-N -1 3 381.462 0.555 20 0 GCADHM Nc1ncnc2c1ncn2CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826397013 607378701 /nfs/dbraw/zinc/37/87/01/607378701.db2.gz RDOQUFMIIKTSLA-UHFFFAOYSA-N -1 3 379.340 0.015 20 0 GCADHM Nc1ncnc2c1ncn2CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826397013 607378703 /nfs/dbraw/zinc/37/87/03/607378703.db2.gz RDOQUFMIIKTSLA-UHFFFAOYSA-N -1 3 379.340 0.015 20 0 GCADHM O=S(=O)(C1CCOCC1)N1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC000738316529 599443267 /nfs/dbraw/zinc/44/32/67/599443267.db2.gz CSQNOJRRBRZRHF-UHFFFAOYSA-N -1 3 393.473 0.647 20 0 GCADHM O=S(=O)(C1CCOCC1)N1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC000738316529 599443270 /nfs/dbraw/zinc/44/32/70/599443270.db2.gz CSQNOJRRBRZRHF-UHFFFAOYSA-N -1 3 393.473 0.647 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC000820352554 599444998 /nfs/dbraw/zinc/44/49/98/599444998.db2.gz VWNDTEBTWRQMIL-GFCCVEGCSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC000820352554 599445000 /nfs/dbraw/zinc/44/50/00/599445000.db2.gz VWNDTEBTWRQMIL-GFCCVEGCSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736230475 599447458 /nfs/dbraw/zinc/44/74/58/599447458.db2.gz RLRJUSTZSBEVKG-RYUDHWBXSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736230475 599447460 /nfs/dbraw/zinc/44/74/60/599447460.db2.gz RLRJUSTZSBEVKG-RYUDHWBXSA-N -1 3 378.458 0.703 20 0 GCADHM CN(C1CC1)S(=O)(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736779238 599447671 /nfs/dbraw/zinc/44/76/71/599447671.db2.gz LXXFAGBODBWVEU-UHFFFAOYSA-N -1 3 377.474 0.718 20 0 GCADHM CN(C1CC1)S(=O)(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736779238 599447673 /nfs/dbraw/zinc/44/76/73/599447673.db2.gz LXXFAGBODBWVEU-UHFFFAOYSA-N -1 3 377.474 0.718 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736229622 599451212 /nfs/dbraw/zinc/45/12/12/599451212.db2.gz OQROPTDNJPMFFS-QWRGUYRKSA-N -1 3 385.471 0.204 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736229622 599451214 /nfs/dbraw/zinc/45/12/14/599451214.db2.gz OQROPTDNJPMFFS-QWRGUYRKSA-N -1 3 385.471 0.204 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736608146 599451489 /nfs/dbraw/zinc/45/14/89/599451489.db2.gz JEHYVGFVWDGISB-OAHLLOKOSA-N -1 3 375.433 0.414 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819882984 599453373 /nfs/dbraw/zinc/45/33/73/599453373.db2.gz DHLGJQHNHTZLCN-NEPJUHHUSA-N -1 3 396.473 0.709 20 0 GCADHM CN(CCNC(=O)c1cc(-c2nnn[n-]2)cn1C)S(=O)(=O)c1cccs1 ZINC000821602777 607380077 /nfs/dbraw/zinc/38/00/77/607380077.db2.gz UOFYZWVODIZXIP-UHFFFAOYSA-N -1 3 395.470 0.317 20 0 GCADHM CN(CCNC(=O)c1cc(-c2nn[n-]n2)cn1C)S(=O)(=O)c1cccs1 ZINC000821602777 607380079 /nfs/dbraw/zinc/38/00/79/607380079.db2.gz UOFYZWVODIZXIP-UHFFFAOYSA-N -1 3 395.470 0.317 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)OCCCn1nc2ccccn2c1=O ZINC000737931181 599456295 /nfs/dbraw/zinc/45/62/95/599456295.db2.gz RLWKPMYAZODOMR-UHFFFAOYSA-N -1 3 395.379 0.688 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)OCCCn1nc2ccccn2c1=O ZINC000737931181 599456297 /nfs/dbraw/zinc/45/62/97/599456297.db2.gz RLWKPMYAZODOMR-UHFFFAOYSA-N -1 3 395.379 0.688 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821636466 599461522 /nfs/dbraw/zinc/46/15/22/599461522.db2.gz RGQCIICUVOBOJV-UHFFFAOYSA-N -1 3 397.436 0.229 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821636466 599461523 /nfs/dbraw/zinc/46/15/23/599461523.db2.gz RGQCIICUVOBOJV-UHFFFAOYSA-N -1 3 397.436 0.229 20 0 GCADHM COCC(=O)NC1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821680857 599461815 /nfs/dbraw/zinc/46/18/15/599461815.db2.gz WSTVJUQMPQPXBY-UHFFFAOYSA-N -1 3 391.407 0.442 20 0 GCADHM COCC(=O)NC1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821680857 599461818 /nfs/dbraw/zinc/46/18/18/599461818.db2.gz WSTVJUQMPQPXBY-UHFFFAOYSA-N -1 3 391.407 0.442 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)NCc3cc(-c4nnn[n-]4)ccc3F)C2=O)cn1 ZINC000822679363 599461885 /nfs/dbraw/zinc/46/18/85/599461885.db2.gz CIKOSTWAUFCYLD-AWEZNQCLSA-N -1 3 399.390 0.344 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)NCc3cc(-c4nn[n-]n4)ccc3F)C2=O)cn1 ZINC000822679363 599461888 /nfs/dbraw/zinc/46/18/88/599461888.db2.gz CIKOSTWAUFCYLD-AWEZNQCLSA-N -1 3 399.390 0.344 20 0 GCADHM Cc1nccc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000822471807 599468318 /nfs/dbraw/zinc/46/83/18/599468318.db2.gz KJNFOPVVDSEGAK-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1nccc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822471807 599468320 /nfs/dbraw/zinc/46/83/20/599468320.db2.gz KJNFOPVVDSEGAK-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736223103 599470535 /nfs/dbraw/zinc/47/05/35/599470535.db2.gz HLXCRLGUAZQGCM-IFMBPYNJSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736223103 599470538 /nfs/dbraw/zinc/47/05/38/599470538.db2.gz HLXCRLGUAZQGCM-IFMBPYNJSA-N -1 3 396.860 0.827 20 0 GCADHM CC[C@H]1CN(CCn2cccn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736407045 599470764 /nfs/dbraw/zinc/47/07/64/599470764.db2.gz DEOAQFBSQRRHFL-HNNXBMFYSA-N -1 3 381.444 0.695 20 0 GCADHM CC[C@H]1CN(CCn2cccn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736407045 599470767 /nfs/dbraw/zinc/47/07/67/599470767.db2.gz DEOAQFBSQRRHFL-HNNXBMFYSA-N -1 3 381.444 0.695 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736223101 599470793 /nfs/dbraw/zinc/47/07/93/599470793.db2.gz HLXCRLGUAZQGCM-WBOIOXJYSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736223101 599470794 /nfs/dbraw/zinc/47/07/94/599470794.db2.gz HLXCRLGUAZQGCM-WBOIOXJYSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820359985 599473848 /nfs/dbraw/zinc/47/38/48/599473848.db2.gz WIWOPVHYVMCFCL-IAQYHMDHSA-N -1 3 395.427 0.766 20 0 GCADHM C[C@@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820359985 599473850 /nfs/dbraw/zinc/47/38/50/599473850.db2.gz WIWOPVHYVMCFCL-IAQYHMDHSA-N -1 3 395.427 0.766 20 0 GCADHM COCC(=O)NC1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821680686 599475081 /nfs/dbraw/zinc/47/50/81/599475081.db2.gz QTXVHGGJGWJPSP-GFCCVEGCSA-N -1 3 387.444 0.864 20 0 GCADHM COCC(=O)NC1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821680686 599475083 /nfs/dbraw/zinc/47/50/83/599475083.db2.gz QTXVHGGJGWJPSP-GFCCVEGCSA-N -1 3 387.444 0.864 20 0 GCADHM C[C@@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341283 599482915 /nfs/dbraw/zinc/48/29/15/599482915.db2.gz PHHAIRRPFVVWBH-MFKMUULPSA-N -1 3 379.446 0.261 20 0 GCADHM C[C@@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341283 599482917 /nfs/dbraw/zinc/48/29/17/599482917.db2.gz PHHAIRRPFVVWBH-MFKMUULPSA-N -1 3 379.446 0.261 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000823144123 599483706 /nfs/dbraw/zinc/48/37/06/599483706.db2.gz ASUKCYPAQVYXAZ-UHFFFAOYSA-N -1 3 375.820 0.447 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000823144123 599483707 /nfs/dbraw/zinc/48/37/07/599483707.db2.gz ASUKCYPAQVYXAZ-UHFFFAOYSA-N -1 3 375.820 0.447 20 0 GCADHM CCc1cnc(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821497724 599493117 /nfs/dbraw/zinc/49/31/17/599493117.db2.gz YJDSKMSBCUELEB-UHFFFAOYSA-N -1 3 385.453 0.974 20 0 GCADHM CCc1cnc(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821497724 599493118 /nfs/dbraw/zinc/49/31/18/599493118.db2.gz YJDSKMSBCUELEB-UHFFFAOYSA-N -1 3 385.453 0.974 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821691999 599494812 /nfs/dbraw/zinc/49/48/12/599494812.db2.gz MIOFERNRAPWUNM-ZDUSSCGKSA-N -1 3 388.428 0.108 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691999 599494813 /nfs/dbraw/zinc/49/48/13/599494813.db2.gz MIOFERNRAPWUNM-ZDUSSCGKSA-N -1 3 388.428 0.108 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821691998 599494899 /nfs/dbraw/zinc/49/48/99/599494899.db2.gz MIOFERNRAPWUNM-CYBMUJFWSA-N -1 3 388.428 0.108 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691998 599494900 /nfs/dbraw/zinc/49/49/00/599494900.db2.gz MIOFERNRAPWUNM-CYBMUJFWSA-N -1 3 388.428 0.108 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(O)CCOCC1 ZINC000820033866 599496364 /nfs/dbraw/zinc/49/63/64/599496364.db2.gz ZBCNGPWYTBPMRO-OAHLLOKOSA-N -1 3 375.429 0.928 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(O)CCOCC1 ZINC000820033866 599496367 /nfs/dbraw/zinc/49/63/67/599496367.db2.gz ZBCNGPWYTBPMRO-OAHLLOKOSA-N -1 3 375.429 0.928 20 0 GCADHM Cc1cccc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000737392940 599496949 /nfs/dbraw/zinc/49/69/49/599496949.db2.gz BHFLRNPRLHYZRA-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM Cc1cccc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000737392940 599496951 /nfs/dbraw/zinc/49/69/51/599496951.db2.gz BHFLRNPRLHYZRA-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM COCC[C@](C)(O)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821686043 599497935 /nfs/dbraw/zinc/49/79/35/599497935.db2.gz YWOLIXQQFSMDQN-KRWDZBQOSA-N -1 3 386.416 0.152 20 0 GCADHM COCC[C@](C)(O)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821686043 599497937 /nfs/dbraw/zinc/49/79/37/599497937.db2.gz YWOLIXQQFSMDQN-KRWDZBQOSA-N -1 3 386.416 0.152 20 0 GCADHM O=C(NC[C@H](O)C1CCOCC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738037320 599498487 /nfs/dbraw/zinc/49/84/87/599498487.db2.gz FSPWPOGMNYZLNP-IRXDYDNUSA-N -1 3 386.456 0.739 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H](O)c2cccc(F)c2)c(-c2nnn[n-]2)c1 ZINC000822899775 599498840 /nfs/dbraw/zinc/49/88/40/599498840.db2.gz SDECNDRZBRDFLX-AWEZNQCLSA-N -1 3 378.389 0.799 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@H](O)c2cccc(F)c2)c(-c2nn[n-]n2)c1 ZINC000822899775 599498843 /nfs/dbraw/zinc/49/88/43/599498843.db2.gz SDECNDRZBRDFLX-AWEZNQCLSA-N -1 3 378.389 0.799 20 0 GCADHM C[C@@H](COCC(F)(F)F)Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000820287830 599500360 /nfs/dbraw/zinc/50/03/60/599500360.db2.gz QMKJHANENOJACQ-ZETCQYMHSA-N -1 3 380.352 0.893 20 0 GCADHM C[C@@H](COCC(F)(F)F)Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000820287830 599500361 /nfs/dbraw/zinc/50/03/61/599500361.db2.gz QMKJHANENOJACQ-ZETCQYMHSA-N -1 3 380.352 0.893 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736608020 599500480 /nfs/dbraw/zinc/50/04/80/599500480.db2.gz GEFXRWGIWVKTEU-HNNXBMFYSA-N -1 3 389.460 0.722 20 0 GCADHM NS(=O)(=O)c1ccc(NCC(=O)NC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000822899900 599504152 /nfs/dbraw/zinc/50/41/52/599504152.db2.gz XWLZJOUFXMMKOD-UHFFFAOYSA-N -1 3 379.446 0.375 20 0 GCADHM NS(=O)(=O)c1ccc(NCC(=O)NC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000822899900 599504153 /nfs/dbraw/zinc/50/41/53/599504153.db2.gz XWLZJOUFXMMKOD-UHFFFAOYSA-N -1 3 379.446 0.375 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCN1CCCS1(=O)=O ZINC000822204466 599506802 /nfs/dbraw/zinc/50/68/02/599506802.db2.gz POASCVYLQLPFDR-UHFFFAOYSA-N -1 3 391.432 0.732 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCN1CCCS1(=O)=O ZINC000822204466 599506803 /nfs/dbraw/zinc/50/68/03/599506803.db2.gz POASCVYLQLPFDR-UHFFFAOYSA-N -1 3 391.432 0.732 20 0 GCADHM C[S@](=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737173466 599507364 /nfs/dbraw/zinc/50/73/64/599507364.db2.gz YQMPCFIZMJORLB-MHZLTWQESA-N -1 3 384.421 0.859 20 0 GCADHM C[S@](=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737173466 599507367 /nfs/dbraw/zinc/50/73/67/599507367.db2.gz YQMPCFIZMJORLB-MHZLTWQESA-N -1 3 384.421 0.859 20 0 GCADHM Cn1ccc(NC(=O)C(=O)NCCSCc2ccccc2-c2nnn[n-]2)n1 ZINC000737611774 599507561 /nfs/dbraw/zinc/50/75/61/599507561.db2.gz GXSLFXKYRCAZRH-UHFFFAOYSA-N -1 3 386.441 0.588 20 0 GCADHM Cn1ccc(NC(=O)C(=O)NCCSCc2ccccc2-c2nn[n-]n2)n1 ZINC000737611774 599507562 /nfs/dbraw/zinc/50/75/62/599507562.db2.gz GXSLFXKYRCAZRH-UHFFFAOYSA-N -1 3 386.441 0.588 20 0 GCADHM C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820334240 599508674 /nfs/dbraw/zinc/50/86/74/599508674.db2.gz LUHYNYRXDHZIFW-NSHDSACASA-N -1 3 376.380 0.849 20 0 GCADHM C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820334240 599508675 /nfs/dbraw/zinc/50/86/75/599508675.db2.gz LUHYNYRXDHZIFW-NSHDSACASA-N -1 3 376.380 0.849 20 0 GCADHM CCn1cc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1=O ZINC000736722387 599509392 /nfs/dbraw/zinc/50/93/92/599509392.db2.gz LKVDNAUUWXMXNN-UHFFFAOYSA-N -1 3 385.359 0.442 20 0 GCADHM CCn1cc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1=O ZINC000736722387 599509394 /nfs/dbraw/zinc/50/93/94/599509394.db2.gz LKVDNAUUWXMXNN-UHFFFAOYSA-N -1 3 385.359 0.442 20 0 GCADHM Cc1noc(C)c1NC(=O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737536441 599510208 /nfs/dbraw/zinc/51/02/08/599510208.db2.gz HVQXMUVBYHAVBU-UHFFFAOYSA-N -1 3 397.399 0.154 20 0 GCADHM Cc1noc(C)c1NC(=O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737536441 599510210 /nfs/dbraw/zinc/51/02/10/599510210.db2.gz HVQXMUVBYHAVBU-UHFFFAOYSA-N -1 3 397.399 0.154 20 0 GCADHM Cc1nn(C)c(C)c1CN(C)c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000822491934 599511787 /nfs/dbraw/zinc/51/17/87/599511787.db2.gz KHFJIBGNPFUIIB-UHFFFAOYSA-N -1 3 376.446 0.501 20 0 GCADHM Cc1nn(C)c(C)c1CN(C)c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000822491934 599511788 /nfs/dbraw/zinc/51/17/88/599511788.db2.gz KHFJIBGNPFUIIB-UHFFFAOYSA-N -1 3 376.446 0.501 20 0 GCADHM O=C(NCCNc1cnccn1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738078503 599512205 /nfs/dbraw/zinc/51/22/05/599512205.db2.gz QSRDTAOTIBLMIU-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM O=C(NCCNc1cnccn1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738078503 599512207 /nfs/dbraw/zinc/51/22/07/599512207.db2.gz QSRDTAOTIBLMIU-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736330636 599512821 /nfs/dbraw/zinc/51/28/21/599512821.db2.gz NCFGUAPTMDRXMO-BMLIUANNSA-N -1 3 376.417 0.727 20 0 GCADHM CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736330636 599512822 /nfs/dbraw/zinc/51/28/22/599512822.db2.gz NCFGUAPTMDRXMO-BMLIUANNSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](C)C(=O)OC ZINC000736634492 599513664 /nfs/dbraw/zinc/51/36/64/599513664.db2.gz HVQDEMBBJLXYJW-VIFPVBQESA-N -1 3 376.373 0.129 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](C)C(=O)OC ZINC000736634492 599513665 /nfs/dbraw/zinc/51/36/65/599513665.db2.gz HVQDEMBBJLXYJW-VIFPVBQESA-N -1 3 376.373 0.129 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCc1nc(C)no1 ZINC000737059236 599513768 /nfs/dbraw/zinc/51/37/68/599513768.db2.gz SSMOFZCBPCFWPV-UHFFFAOYSA-N -1 3 386.372 0.254 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCc1nc(C)no1 ZINC000737059236 599513770 /nfs/dbraw/zinc/51/37/70/599513770.db2.gz SSMOFZCBPCFWPV-UHFFFAOYSA-N -1 3 386.372 0.254 20 0 GCADHM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736894395 599514304 /nfs/dbraw/zinc/51/43/04/599514304.db2.gz VNNACEVZXIPHRC-ZETCQYMHSA-N -1 3 398.326 0.332 20 0 GCADHM COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736894395 599514307 /nfs/dbraw/zinc/51/43/07/599514307.db2.gz VNNACEVZXIPHRC-ZETCQYMHSA-N -1 3 398.326 0.332 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736224008 599515636 /nfs/dbraw/zinc/51/56/36/599515636.db2.gz KXILTCOHZKUGDZ-UXDGFGRTSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736224008 599515639 /nfs/dbraw/zinc/51/56/39/599515639.db2.gz KXILTCOHZKUGDZ-UXDGFGRTSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820322429 599526263 /nfs/dbraw/zinc/52/62/63/599526263.db2.gz SKOXKSBRIUQLAW-IOBOVELCSA-N -1 3 383.412 0.812 20 0 GCADHM C[C@@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820322429 599526266 /nfs/dbraw/zinc/52/62/66/599526266.db2.gz SKOXKSBRIUQLAW-IOBOVELCSA-N -1 3 383.412 0.812 20 0 GCADHM C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820326993 599538801 /nfs/dbraw/zinc/53/88/01/599538801.db2.gz CTPGKYWQSRYJHK-MLCYQJTMSA-N -1 3 383.412 0.764 20 0 GCADHM C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820326993 599538804 /nfs/dbraw/zinc/53/88/04/599538804.db2.gz CTPGKYWQSRYJHK-MLCYQJTMSA-N -1 3 383.412 0.764 20 0 GCADHM Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)nc2c1c(=O)n(C)c(=O)n2C ZINC000737237997 599540585 /nfs/dbraw/zinc/54/05/85/599540585.db2.gz GIDVCCBCPYVEBQ-UHFFFAOYSA-N -1 3 398.408 0.435 20 0 GCADHM Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)nc2c1c(=O)n(C)c(=O)n2C ZINC000737237997 599540586 /nfs/dbraw/zinc/54/05/86/599540586.db2.gz GIDVCCBCPYVEBQ-UHFFFAOYSA-N -1 3 398.408 0.435 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCn3c(nnc3C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000822895811 599543103 /nfs/dbraw/zinc/54/31/03/599543103.db2.gz YDAUWALIWMAVRH-UHFFFAOYSA-N -1 3 387.429 0.003 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCn3c(nnc3C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000822895811 599543105 /nfs/dbraw/zinc/54/31/05/599543105.db2.gz YDAUWALIWMAVRH-UHFFFAOYSA-N -1 3 387.429 0.003 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@H](N3CCCC3=O)C2)c(-c2nnn[n-]2)c1 ZINC000822894619 599551273 /nfs/dbraw/zinc/55/12/73/599551273.db2.gz DFRUUWFEJFTWDM-NSHDSACASA-N -1 3 391.457 0.105 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC[C@H](N3CCCC3=O)C2)c(-c2nn[n-]n2)c1 ZINC000822894619 599551275 /nfs/dbraw/zinc/55/12/75/599551275.db2.gz DFRUUWFEJFTWDM-NSHDSACASA-N -1 3 391.457 0.105 20 0 GCADHM NS(=O)(=O)c1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822894955 599555456 /nfs/dbraw/zinc/55/54/56/599555456.db2.gz IKUPFWDPNWGGNQ-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822894955 599555457 /nfs/dbraw/zinc/55/54/57/599555457.db2.gz IKUPFWDPNWGGNQ-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822894799 599558819 /nfs/dbraw/zinc/55/88/19/599558819.db2.gz GMDMINKEJFADSF-UHFFFAOYSA-N -1 3 394.363 0.722 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822894799 599558821 /nfs/dbraw/zinc/55/88/21/599558821.db2.gz GMDMINKEJFADSF-UHFFFAOYSA-N -1 3 394.363 0.722 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1=O ZINC000735875535 599566411 /nfs/dbraw/zinc/56/64/11/599566411.db2.gz OJICBAKSNLCLCO-JTQLQIEISA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1=O ZINC000735875535 599566414 /nfs/dbraw/zinc/56/64/14/599566414.db2.gz OJICBAKSNLCLCO-JTQLQIEISA-N -1 3 391.819 0.584 20 0 GCADHM C[C@](O)(CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)c1cccs1 ZINC000820468050 599568087 /nfs/dbraw/zinc/56/80/87/599568087.db2.gz PUCQWGKOAXFSJZ-AWEZNQCLSA-N -1 3 380.455 0.895 20 0 GCADHM C[C@](O)(CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)c1cccs1 ZINC000820468050 599568090 /nfs/dbraw/zinc/56/80/90/599568090.db2.gz PUCQWGKOAXFSJZ-AWEZNQCLSA-N -1 3 380.455 0.895 20 0 GCADHM CN(C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1CCN(C)C1=O ZINC000736853000 599573495 /nfs/dbraw/zinc/57/34/95/599573495.db2.gz UZCQJZMBYSSDET-LLVKDONJSA-N -1 3 377.792 0.148 20 0 GCADHM CN(C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1CCN(C)C1=O ZINC000736853000 599573497 /nfs/dbraw/zinc/57/34/97/599573497.db2.gz UZCQJZMBYSSDET-LLVKDONJSA-N -1 3 377.792 0.148 20 0 GCADHM CC(=O)NC[C@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCO1 ZINC000819811065 599574703 /nfs/dbraw/zinc/57/47/03/599574703.db2.gz VYIRIMMFFBMRJN-AWEZNQCLSA-N -1 3 384.400 0.254 20 0 GCADHM CC(=O)NC[C@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCO1 ZINC000819811065 599574706 /nfs/dbraw/zinc/57/47/06/599574706.db2.gz VYIRIMMFFBMRJN-AWEZNQCLSA-N -1 3 384.400 0.254 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820291977 599574820 /nfs/dbraw/zinc/57/48/20/599574820.db2.gz BIKDFFNVJRPHTR-SNVBAGLBSA-N -1 3 377.430 0.782 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820291977 599574822 /nfs/dbraw/zinc/57/48/22/599574822.db2.gz BIKDFFNVJRPHTR-SNVBAGLBSA-N -1 3 377.430 0.782 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820643792 599575228 /nfs/dbraw/zinc/57/52/28/599575228.db2.gz ZJDZJDQKLNHSDW-MNOVXSKESA-N -1 3 389.441 0.924 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820643792 599575231 /nfs/dbraw/zinc/57/52/31/599575231.db2.gz ZJDZJDQKLNHSDW-MNOVXSKESA-N -1 3 389.441 0.924 20 0 GCADHM c1ncn(C[C@@H]2CN(Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CCO2)n1 ZINC000823821535 599575360 /nfs/dbraw/zinc/57/53/60/599575360.db2.gz WGOBXUQYIOEIRJ-AWEZNQCLSA-N -1 3 394.399 0.409 20 0 GCADHM c1ncn(C[C@@H]2CN(Cc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)CCO2)n1 ZINC000823821535 599575361 /nfs/dbraw/zinc/57/53/61/599575361.db2.gz WGOBXUQYIOEIRJ-AWEZNQCLSA-N -1 3 394.399 0.409 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737738263 599576121 /nfs/dbraw/zinc/57/61/21/599576121.db2.gz GYCSNFDIKGJLST-RKDXNWHRSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737738263 599576124 /nfs/dbraw/zinc/57/61/24/599576124.db2.gz GYCSNFDIKGJLST-RKDXNWHRSA-N -1 3 391.819 0.619 20 0 GCADHM CC[C@H]1COCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736406876 599578403 /nfs/dbraw/zinc/57/84/03/599578403.db2.gz MLLWOMYPSMVZMC-KBXCAEBGSA-N -1 3 385.428 0.702 20 0 GCADHM CC[C@H]1COCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736406876 599578406 /nfs/dbraw/zinc/57/84/06/599578406.db2.gz MLLWOMYPSMVZMC-KBXCAEBGSA-N -1 3 385.428 0.702 20 0 GCADHM C[C@H]1CN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCS1(=O)=O ZINC000736292676 599586428 /nfs/dbraw/zinc/58/64/28/599586428.db2.gz QNYCIAPKIVOPGE-SMDDNHRTSA-N -1 3 376.442 0.091 20 0 GCADHM C[C@H]1CN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCS1(=O)=O ZINC000736292676 599586429 /nfs/dbraw/zinc/58/64/29/599586429.db2.gz QNYCIAPKIVOPGE-SMDDNHRTSA-N -1 3 376.442 0.091 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)[C@@H]1CCN(C)C1=O ZINC000735569055 599587628 /nfs/dbraw/zinc/58/76/28/599587628.db2.gz CUYFVUZSTDIXHY-MWLCHTKSSA-N -1 3 389.485 0.906 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)[C@@H]1CCN(C)C1=O ZINC000735569055 599587630 /nfs/dbraw/zinc/58/76/30/599587630.db2.gz CUYFVUZSTDIXHY-MWLCHTKSSA-N -1 3 389.485 0.906 20 0 GCADHM O=C(CN1CCNC(=O)[C@H]1c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737883592 599588015 /nfs/dbraw/zinc/58/80/15/599588015.db2.gz QZOYTRJHVVUBGV-QGZVFWFLSA-N -1 3 377.408 0.978 20 0 GCADHM O=C(CN1CCNC(=O)[C@H]1c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737883592 599588017 /nfs/dbraw/zinc/58/80/17/599588017.db2.gz QZOYTRJHVVUBGV-QGZVFWFLSA-N -1 3 377.408 0.978 20 0 GCADHM CC[C@@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736398080 599589337 /nfs/dbraw/zinc/58/93/37/599589337.db2.gz YJEHNNQMHXNGCC-LLVKDONJSA-N -1 3 389.485 0.956 20 0 GCADHM CC[C@@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736398080 599589339 /nfs/dbraw/zinc/58/93/39/599589339.db2.gz YJEHNNQMHXNGCC-LLVKDONJSA-N -1 3 389.485 0.956 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736794324 599593690 /nfs/dbraw/zinc/59/36/90/599593690.db2.gz QNHGIFDZJZFPCW-UHFFFAOYSA-N -1 3 395.464 0.714 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736793232 599593876 /nfs/dbraw/zinc/59/38/76/599593876.db2.gz HZAWJLCFXCDDAR-UHFFFAOYSA-N -1 3 377.474 0.575 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736793232 599593878 /nfs/dbraw/zinc/59/38/78/599593878.db2.gz HZAWJLCFXCDDAR-UHFFFAOYSA-N -1 3 377.474 0.575 20 0 GCADHM CN(CC1CC1)S(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736793248 599593925 /nfs/dbraw/zinc/59/39/25/599593925.db2.gz IHZDNLJERZAMJJ-UHFFFAOYSA-N -1 3 392.489 0.407 20 0 GCADHM CN(CC1CC1)S(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736793248 599593926 /nfs/dbraw/zinc/59/39/26/599593926.db2.gz IHZDNLJERZAMJJ-UHFFFAOYSA-N -1 3 392.489 0.407 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736793186 599594008 /nfs/dbraw/zinc/59/40/08/599594008.db2.gz HIBTUWKGSOJTEH-UHFFFAOYSA-N -1 3 391.501 0.965 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736793186 599594010 /nfs/dbraw/zinc/59/40/10/599594010.db2.gz HIBTUWKGSOJTEH-UHFFFAOYSA-N -1 3 391.501 0.965 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCN1 ZINC000738307026 599594644 /nfs/dbraw/zinc/59/46/44/599594644.db2.gz NUZNWXUTDZRLSP-UHFFFAOYSA-N -1 3 376.320 0.006 20 0 GCADHM CCN(CC)C(=O)CCCNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821175891 599597725 /nfs/dbraw/zinc/59/77/25/599597725.db2.gz YILPJSDBUQOKAU-UHFFFAOYSA-N -1 3 387.444 0.878 20 0 GCADHM CCN(CC)C(=O)CCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821175891 599597727 /nfs/dbraw/zinc/59/77/27/599597727.db2.gz YILPJSDBUQOKAU-UHFFFAOYSA-N -1 3 387.444 0.878 20 0 GCADHM Brc1c[nH]nc1CNC[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000735375994 599598243 /nfs/dbraw/zinc/59/82/43/599598243.db2.gz VUWSBCUYFTUMAL-SSDOTTSWSA-N -1 3 379.226 0.380 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)c1-c1nnn[n-]1 ZINC000822318945 599600584 /nfs/dbraw/zinc/60/05/84/599600584.db2.gz CQZLLOHZSNZRFM-ZDUSSCGKSA-N -1 3 396.407 0.670 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)c1-c1nn[n-]n1 ZINC000822318945 599600587 /nfs/dbraw/zinc/60/05/87/599600587.db2.gz CQZLLOHZSNZRFM-ZDUSSCGKSA-N -1 3 396.407 0.670 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000738041270 599605043 /nfs/dbraw/zinc/60/50/43/599605043.db2.gz ZYOOWHSQKWUEOU-CYBMUJFWSA-N -1 3 395.427 0.127 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000738041270 599605045 /nfs/dbraw/zinc/60/50/45/599605045.db2.gz ZYOOWHSQKWUEOU-CYBMUJFWSA-N -1 3 395.427 0.127 20 0 GCADHM Cn1ccnc1CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822698948 599605398 /nfs/dbraw/zinc/60/53/98/599605398.db2.gz JHJVKJVOZIFLFJ-UHFFFAOYSA-N -1 3 394.317 0.874 20 0 GCADHM Cn1ccnc1CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822698948 599605399 /nfs/dbraw/zinc/60/53/99/599605399.db2.gz JHJVKJVOZIFLFJ-UHFFFAOYSA-N -1 3 394.317 0.874 20 0 GCADHM O=C(COC(=O)c1ccnc(-n2cncn2)c1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737911085 599606027 /nfs/dbraw/zinc/60/60/27/599606027.db2.gz NMGPTGFAQAORNR-UHFFFAOYSA-N -1 3 391.351 0.638 20 0 GCADHM O=C(COC(=O)c1ccnc(-n2cncn2)c1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737911085 599606028 /nfs/dbraw/zinc/60/60/28/599606028.db2.gz NMGPTGFAQAORNR-UHFFFAOYSA-N -1 3 391.351 0.638 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)c1-c1nnn[n-]1 ZINC000822315100 599607620 /nfs/dbraw/zinc/60/76/20/599607620.db2.gz ZCURDMQIUFFLQG-XEUAEHQWSA-N -1 3 376.442 0.482 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000822315100 599607622 /nfs/dbraw/zinc/60/76/22/599607622.db2.gz ZCURDMQIUFFLQG-XEUAEHQWSA-N -1 3 376.442 0.482 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC[S@](=O)C(C)(C)C)c1-c1nnn[n-]1 ZINC000822319808 599608231 /nfs/dbraw/zinc/60/82/31/599608231.db2.gz YNFFFIOZVDQLJJ-SANMLTNESA-N -1 3 378.458 0.777 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC[S@](=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC000822319808 599608232 /nfs/dbraw/zinc/60/82/32/599608232.db2.gz YNFFFIOZVDQLJJ-SANMLTNESA-N -1 3 378.458 0.777 20 0 GCADHM CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820026419 599608267 /nfs/dbraw/zinc/60/82/67/599608267.db2.gz JZJAQQJUDMJSIH-LLVKDONJSA-N -1 3 386.334 0.957 20 0 GCADHM CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820026419 599608268 /nfs/dbraw/zinc/60/82/68/599608268.db2.gz JZJAQQJUDMJSIH-LLVKDONJSA-N -1 3 386.334 0.957 20 0 GCADHM COCCCOC1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821687937 599608548 /nfs/dbraw/zinc/60/85/48/599608548.db2.gz WNKJBUOOZRVQJI-UHFFFAOYSA-N -1 3 388.428 0.849 20 0 GCADHM COCCCOC1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821687937 599608550 /nfs/dbraw/zinc/60/85/50/599608550.db2.gz WNKJBUOOZRVQJI-UHFFFAOYSA-N -1 3 388.428 0.849 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000821400943 599608894 /nfs/dbraw/zinc/60/88/94/599608894.db2.gz QMFWQDKXWMPRIU-YPMHNXCESA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H](O)C1 ZINC000821400943 599608895 /nfs/dbraw/zinc/60/88/95/599608895.db2.gz QMFWQDKXWMPRIU-YPMHNXCESA-N -1 3 388.428 0.871 20 0 GCADHM Cc1nc(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)no1 ZINC000822439517 599611062 /nfs/dbraw/zinc/61/10/62/599611062.db2.gz BVYRXDUDDZTVAW-UHFFFAOYSA-N -1 3 394.298 0.414 20 0 GCADHM Cc1nc(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)no1 ZINC000822439517 599611063 /nfs/dbraw/zinc/61/10/63/599611063.db2.gz BVYRXDUDDZTVAW-UHFFFAOYSA-N -1 3 394.298 0.414 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822491875 599612160 /nfs/dbraw/zinc/61/21/60/599612160.db2.gz HZLDKHOPMROQBH-JTQLQIEISA-N -1 3 382.428 0.903 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822491875 599612162 /nfs/dbraw/zinc/61/21/62/599612162.db2.gz HZLDKHOPMROQBH-JTQLQIEISA-N -1 3 382.428 0.903 20 0 GCADHM CN(C(=O)NCCSCc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C)C1=O ZINC000736850819 599612377 /nfs/dbraw/zinc/61/23/77/599612377.db2.gz CEHSEZSCGUHZCE-CQSZACIVSA-N -1 3 389.485 0.972 20 0 GCADHM CN(C(=O)NCCSCc1ccccc1-c1nn[n-]n1)[C@@H]1CCN(C)C1=O ZINC000736850819 599612378 /nfs/dbraw/zinc/61/23/78/599612378.db2.gz CEHSEZSCGUHZCE-CQSZACIVSA-N -1 3 389.485 0.972 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)NCCNc1ncccc1-c1nnn[n-]1)C2 ZINC000737489898 599613310 /nfs/dbraw/zinc/61/33/10/599613310.db2.gz NDWPQOJZGYGYMO-UHFFFAOYSA-N -1 3 382.432 0.712 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)NCCNc1ncccc1-c1nn[n-]n1)C2 ZINC000737489898 599613312 /nfs/dbraw/zinc/61/33/12/599613312.db2.gz NDWPQOJZGYGYMO-UHFFFAOYSA-N -1 3 382.432 0.712 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@H]1Cn1cccn1 ZINC000738077591 599613739 /nfs/dbraw/zinc/61/37/39/599613739.db2.gz GNVANQUIOHHVBN-ZDUSSCGKSA-N -1 3 382.432 0.744 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@H]1Cn1cccn1 ZINC000738077591 599613740 /nfs/dbraw/zinc/61/37/40/599613740.db2.gz GNVANQUIOHHVBN-ZDUSSCGKSA-N -1 3 382.432 0.744 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1O ZINC000820152218 599613862 /nfs/dbraw/zinc/61/38/62/599613862.db2.gz UMIGGAROKFYFAY-TZMCWYRMSA-N -1 3 388.428 0.870 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1O ZINC000820152218 599613863 /nfs/dbraw/zinc/61/38/63/599613863.db2.gz UMIGGAROKFYFAY-TZMCWYRMSA-N -1 3 388.428 0.870 20 0 GCADHM Cn1cc(C2CCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000737606434 599617255 /nfs/dbraw/zinc/61/72/55/599617255.db2.gz RJJDYPVQTXJDSH-UHFFFAOYSA-N -1 3 380.412 0.945 20 0 GCADHM Cn1cc(C2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737606434 599617257 /nfs/dbraw/zinc/61/72/57/599617257.db2.gz RJJDYPVQTXJDSH-UHFFFAOYSA-N -1 3 380.412 0.945 20 0 GCADHM C[C@@H](O)CN1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736149162 599619079 /nfs/dbraw/zinc/61/90/79/599619079.db2.gz SHGWOVMCTDLERG-LLVKDONJSA-N -1 3 379.852 0.457 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000822903117 599622538 /nfs/dbraw/zinc/62/25/38/599622538.db2.gz HCDMAQYZRRWJSW-UHFFFAOYSA-N -1 3 398.305 0.839 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000822903117 599622539 /nfs/dbraw/zinc/62/25/39/599622539.db2.gz HCDMAQYZRRWJSW-UHFFFAOYSA-N -1 3 398.305 0.839 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1cn(Cc2ccccn2)nn1 ZINC000823405065 599622697 /nfs/dbraw/zinc/62/26/97/599622697.db2.gz HVNQXQJYXZUSIZ-UHFFFAOYSA-N -1 3 392.383 0.565 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1cn(Cc2ccccn2)nn1 ZINC000823405065 599622698 /nfs/dbraw/zinc/62/26/98/599622698.db2.gz HVNQXQJYXZUSIZ-UHFFFAOYSA-N -1 3 392.383 0.565 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000820636507 599646097 /nfs/dbraw/zinc/64/60/97/599646097.db2.gz SOTFNUFGBCKXCH-IYOUNJFTSA-N -1 3 383.412 0.454 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2C[C@H]3CC[C@@H](C2)O3)C1=O ZINC000820636507 599646098 /nfs/dbraw/zinc/64/60/98/599646098.db2.gz SOTFNUFGBCKXCH-IYOUNJFTSA-N -1 3 383.412 0.454 20 0 GCADHM CCCOC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821127312 599651763 /nfs/dbraw/zinc/65/17/63/599651763.db2.gz GAIZDRFAEJQVPR-JTQLQIEISA-N -1 3 397.413 0.030 20 0 GCADHM CCCOC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821127312 599651764 /nfs/dbraw/zinc/65/17/64/599651764.db2.gz GAIZDRFAEJQVPR-JTQLQIEISA-N -1 3 397.413 0.030 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000820530222 599651849 /nfs/dbraw/zinc/65/18/49/599651849.db2.gz XZSPHBNVGKZLQR-NSHDSACASA-N -1 3 381.396 0.313 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000820543514 599651881 /nfs/dbraw/zinc/65/18/81/599651881.db2.gz YYTLLDTVVFEYDH-LDLUMPKVSA-N -1 3 399.411 0.129 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000820543514 599651882 /nfs/dbraw/zinc/65/18/82/599651882.db2.gz YYTLLDTVVFEYDH-LDLUMPKVSA-N -1 3 399.411 0.129 20 0 GCADHM Cn1cc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1=O ZINC000822669507 599656404 /nfs/dbraw/zinc/65/64/04/599656404.db2.gz KTAJPPDWEPTDMW-UHFFFAOYSA-N -1 3 379.336 0.972 20 0 GCADHM Cn1cc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1=O ZINC000822669507 599656405 /nfs/dbraw/zinc/65/64/05/599656405.db2.gz KTAJPPDWEPTDMW-UHFFFAOYSA-N -1 3 379.336 0.972 20 0 GCADHM Cc1[nH]nc2ncc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000822015947 599656804 /nfs/dbraw/zinc/65/68/04/599656804.db2.gz RBFKBHLSVPBSPJ-ZDUSSCGKSA-N -1 3 378.352 0.830 20 0 GCADHM Cc1[nH]nc2ncc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000822015947 599656805 /nfs/dbraw/zinc/65/68/05/599656805.db2.gz RBFKBHLSVPBSPJ-ZDUSSCGKSA-N -1 3 378.352 0.830 20 0 GCADHM Cc1cc(N2CC[C@H](OC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822207092 599657485 /nfs/dbraw/zinc/65/74/85/599657485.db2.gz KMSYNWHFPIJKKP-AWEZNQCLSA-N -1 3 397.395 0.636 20 0 GCADHM Cc1cc(N2CC[C@H](OC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822207092 599657486 /nfs/dbraw/zinc/65/74/86/599657486.db2.gz KMSYNWHFPIJKKP-AWEZNQCLSA-N -1 3 397.395 0.636 20 0 GCADHM Cn1cc(N2CCC[C@@H](OC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822681634 599658385 /nfs/dbraw/zinc/65/83/85/599658385.db2.gz ZQTCSYFXONLDAV-OAHLLOKOSA-N -1 3 396.411 0.751 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)OCc1ccon1 ZINC000822954760 599661903 /nfs/dbraw/zinc/66/19/03/599661903.db2.gz BZKJIVQTBREGJY-ZDUSSCGKSA-N -1 3 397.351 0.803 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCc1ccon1 ZINC000822954760 599661904 /nfs/dbraw/zinc/66/19/04/599661904.db2.gz BZKJIVQTBREGJY-ZDUSSCGKSA-N -1 3 397.351 0.803 20 0 GCADHM CNC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821635079 599666978 /nfs/dbraw/zinc/66/69/78/599666978.db2.gz LKCZCDIOCSFJNS-UHFFFAOYSA-N -1 3 394.391 0.700 20 0 GCADHM CNC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821635079 599666979 /nfs/dbraw/zinc/66/69/79/599666979.db2.gz LKCZCDIOCSFJNS-UHFFFAOYSA-N -1 3 394.391 0.700 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000820146318 599668010 /nfs/dbraw/zinc/66/80/10/599668010.db2.gz KBPUPWKFMQYTRO-MRXNPFEDSA-N -1 3 392.460 0.811 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820146318 599668011 /nfs/dbraw/zinc/66/80/11/599668011.db2.gz KBPUPWKFMQYTRO-MRXNPFEDSA-N -1 3 392.460 0.811 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(CCO)CCOCC(F)(F)F ZINC000823246362 599668531 /nfs/dbraw/zinc/66/85/31/599668531.db2.gz MJFIKHHBMBVIJS-UHFFFAOYSA-N -1 3 388.350 0.950 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(CCO)CCOCC(F)(F)F ZINC000823246362 599668532 /nfs/dbraw/zinc/66/85/32/599668532.db2.gz MJFIKHHBMBVIJS-UHFFFAOYSA-N -1 3 388.350 0.950 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000820467103 599670928 /nfs/dbraw/zinc/67/09/28/599670928.db2.gz ANMLIPFKYVGELZ-TVQRCGJNSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000820467103 599670929 /nfs/dbraw/zinc/67/09/29/599670929.db2.gz ANMLIPFKYVGELZ-TVQRCGJNSA-N -1 3 379.392 0.961 20 0 GCADHM O=C(COC(=O)[C@H]1CCc2c[nH]nc2C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823018437 599670986 /nfs/dbraw/zinc/67/09/86/599670986.db2.gz NQYPUHSELKPRLL-ZDUSSCGKSA-N -1 3 381.396 0.554 20 0 GCADHM CC[C@@H](C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)N1CCCC1=O ZINC000820848221 599671372 /nfs/dbraw/zinc/67/13/72/599671372.db2.gz TYXWZSXFFFYWBO-JTQLQIEISA-N -1 3 378.414 0.811 20 0 GCADHM CC[C@@H](C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)N1CCCC1=O ZINC000820848221 599671373 /nfs/dbraw/zinc/67/13/73/599671373.db2.gz TYXWZSXFFFYWBO-JTQLQIEISA-N -1 3 378.414 0.811 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820469185 599671403 /nfs/dbraw/zinc/67/14/03/599671403.db2.gz YEBNRIOZFXYIHT-SMDDNHRTSA-N -1 3 391.428 0.700 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820469185 599671404 /nfs/dbraw/zinc/67/14/04/599671404.db2.gz YEBNRIOZFXYIHT-SMDDNHRTSA-N -1 3 391.428 0.700 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820468735 599671449 /nfs/dbraw/zinc/67/14/49/599671449.db2.gz WBLDSRXCIDWBED-SMDDNHRTSA-N -1 3 391.428 0.700 20 0 GCADHM CC(C)OC(=O)[C@H](C)CNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820136774 599672565 /nfs/dbraw/zinc/67/25/65/599672565.db2.gz BPDOVBUBVZIIHW-LLVKDONJSA-N -1 3 376.421 0.561 20 0 GCADHM CC(C)OC(=O)[C@H](C)CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820136774 599672566 /nfs/dbraw/zinc/67/25/66/599672566.db2.gz BPDOVBUBVZIIHW-LLVKDONJSA-N -1 3 376.421 0.561 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC000821509200 599674966 /nfs/dbraw/zinc/67/49/66/599674966.db2.gz DJGIUTVZZSWNJH-LBPRGKRZSA-N -1 3 385.407 0.974 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)NCc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC000821509200 599674967 /nfs/dbraw/zinc/67/49/67/599674967.db2.gz DJGIUTVZZSWNJH-LBPRGKRZSA-N -1 3 385.407 0.974 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821440909 599675027 /nfs/dbraw/zinc/67/50/27/599675027.db2.gz DNEQUKXBLMZLJX-LLVKDONJSA-N -1 3 382.446 0.368 20 0 GCADHM CN(C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821571942 599677020 /nfs/dbraw/zinc/67/70/20/599677020.db2.gz LWJLNEAWFSKJPE-LBPRGKRZSA-N -1 3 380.430 0.074 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cn1C ZINC000821667921 599682846 /nfs/dbraw/zinc/68/28/46/599682846.db2.gz GWZDJKKVSARXQB-UHFFFAOYSA-N -1 3 376.398 0.817 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cn1C ZINC000821667921 599682847 /nfs/dbraw/zinc/68/28/47/599682847.db2.gz GWZDJKKVSARXQB-UHFFFAOYSA-N -1 3 376.398 0.817 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cn1C ZINC000821667817 599682942 /nfs/dbraw/zinc/68/29/42/599682942.db2.gz BKYBUSLVUAVKTQ-UHFFFAOYSA-N -1 3 394.388 0.609 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cn1C ZINC000821667817 599682943 /nfs/dbraw/zinc/68/29/43/599682943.db2.gz BKYBUSLVUAVKTQ-UHFFFAOYSA-N -1 3 394.388 0.609 20 0 GCADHM C[C@@H]1CN=C(N2CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CC2)S1 ZINC000820804649 599682960 /nfs/dbraw/zinc/68/29/60/599682960.db2.gz WSWPWJDHMQEPLE-LLVKDONJSA-N -1 3 393.498 0.664 20 0 GCADHM C[C@@H]1CN=C(N2CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CC2)S1 ZINC000820804649 599682961 /nfs/dbraw/zinc/68/29/61/599682961.db2.gz WSWPWJDHMQEPLE-LLVKDONJSA-N -1 3 393.498 0.664 20 0 GCADHM C[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC1(C)OCCO1 ZINC000820281849 599685507 /nfs/dbraw/zinc/68/55/07/599685507.db2.gz YNDIRGCBCVYRHK-SNVBAGLBSA-N -1 3 382.446 0.715 20 0 GCADHM C[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC1(C)OCCO1 ZINC000820281849 599685508 /nfs/dbraw/zinc/68/55/08/599685508.db2.gz YNDIRGCBCVYRHK-SNVBAGLBSA-N -1 3 382.446 0.715 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CC(=O)Nc1cc(C)on1 ZINC000821650397 599690656 /nfs/dbraw/zinc/69/06/56/599690656.db2.gz QXZZSGFQOKBFIQ-OAHLLOKOSA-N -1 3 385.384 0.948 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CC(=O)Nc1cc(C)on1 ZINC000821650397 599690657 /nfs/dbraw/zinc/69/06/57/599690657.db2.gz QXZZSGFQOKBFIQ-OAHLLOKOSA-N -1 3 385.384 0.948 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000819933477 599692369 /nfs/dbraw/zinc/69/23/69/599692369.db2.gz 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378.440 0.974 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@H](c3cnn(C)c3)C2)cc1-c1nnn[n-]1 ZINC000826198326 607571268 /nfs/dbraw/zinc/57/12/68/607571268.db2.gz VJNZEGLDXXQUCW-INIZCTEOSA-N -1 3 398.427 0.892 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@H](c3cnn(C)c3)C2)cc1-c1nn[n-]n1 ZINC000826198326 607571270 /nfs/dbraw/zinc/57/12/70/607571270.db2.gz VJNZEGLDXXQUCW-INIZCTEOSA-N -1 3 398.427 0.892 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@@H](CNC(N)=O)C2)cc1-c1nnn[n-]1 ZINC000826198449 607573161 /nfs/dbraw/zinc/57/31/61/607573161.db2.gz YTFGQFLMEINHLY-LBPRGKRZSA-N -1 3 388.432 0.465 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@@H](CNC(N)=O)C2)cc1-c1nn[n-]n1 ZINC000826198449 607573162 /nfs/dbraw/zinc/57/31/62/607573162.db2.gz YTFGQFLMEINHLY-LBPRGKRZSA-N -1 3 388.432 0.465 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@@H]2Cn2cncn2)cc1-c1nnn[n-]1 ZINC000826198130 607574551 /nfs/dbraw/zinc/57/45/51/607574551.db2.gz NCMXNGUHQCIYJB-CYBMUJFWSA-N -1 3 383.416 0.841 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@@H]2Cn2cncn2)cc1-c1nn[n-]n1 ZINC000826198130 607574553 /nfs/dbraw/zinc/57/45/53/607574553.db2.gz NCMXNGUHQCIYJB-CYBMUJFWSA-N -1 3 383.416 0.841 20 0 GCADHM COc1ccc(CNC(=O)N(C)C[C@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826197299 607576105 /nfs/dbraw/zinc/57/61/05/607576105.db2.gz JCXSXMINRZGEGH-GFCCVEGCSA-N -1 3 394.457 0.451 20 0 GCADHM COc1ccc(CNC(=O)N(C)C[C@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826197299 607576107 /nfs/dbraw/zinc/57/61/07/607576107.db2.gz JCXSXMINRZGEGH-GFCCVEGCSA-N -1 3 394.457 0.451 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCCOc1ncccc1F ZINC000826438290 607576539 /nfs/dbraw/zinc/57/65/39/607576539.db2.gz WOMWYKVVMFNDKG-UHFFFAOYSA-N -1 3 387.379 0.586 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCCOc1ncccc1F ZINC000826438290 607576541 /nfs/dbraw/zinc/57/65/41/607576541.db2.gz WOMWYKVVMFNDKG-UHFFFAOYSA-N -1 3 387.379 0.586 20 0 GCADHM CCNC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825471473 607578542 /nfs/dbraw/zinc/57/85/42/607578542.db2.gz USKKEWPQBNHIGB-UHFFFAOYSA-N -1 3 378.336 0.300 20 0 GCADHM COc1ccc(CNC(=O)c2nc3nc(C)cc(C)n3n2)cc1-c1nnn[n-]1 ZINC000826202185 607582273 /nfs/dbraw/zinc/58/22/73/607582273.db2.gz QUVKWQFGRYHQCF-UHFFFAOYSA-N -1 3 379.384 0.860 20 0 GCADHM COc1ccc(CNC(=O)c2nc3nc(C)cc(C)n3n2)cc1-c1nn[n-]n1 ZINC000826202185 607582275 /nfs/dbraw/zinc/58/22/75/607582275.db2.gz QUVKWQFGRYHQCF-UHFFFAOYSA-N -1 3 379.384 0.860 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000824428132 607584481 /nfs/dbraw/zinc/58/44/81/607584481.db2.gz QGTZHQXWNREEDO-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000824428132 607584483 /nfs/dbraw/zinc/58/44/83/607584483.db2.gz QGTZHQXWNREEDO-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824288936 607811607 /nfs/dbraw/zinc/81/16/07/607811607.db2.gz QLZARGCKZUHMJR-UHFFFAOYSA-N -1 3 387.487 0.452 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824288936 607811608 /nfs/dbraw/zinc/81/16/08/607811608.db2.gz QLZARGCKZUHMJR-UHFFFAOYSA-N -1 3 387.487 0.452 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826073189 607585636 /nfs/dbraw/zinc/58/56/36/607585636.db2.gz IWVUKUMSPDKSBJ-XQRVVYSFSA-N -1 3 393.407 0.960 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826073189 607585638 /nfs/dbraw/zinc/58/56/38/607585638.db2.gz IWVUKUMSPDKSBJ-XQRVVYSFSA-N -1 3 393.407 0.960 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000824207607 607586877 /nfs/dbraw/zinc/58/68/77/607586877.db2.gz YTFLLUMAGYSMME-WMLDXEAASA-N -1 3 385.472 0.386 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CN2CCN1CC2 ZINC000824207607 607586879 /nfs/dbraw/zinc/58/68/79/607586879.db2.gz YTFLLUMAGYSMME-WMLDXEAASA-N -1 3 385.472 0.386 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCCNS(=O)(=O)c1cccs1 ZINC000826422028 607588184 /nfs/dbraw/zinc/58/81/84/607588184.db2.gz JYOTVAMXBLODPN-UHFFFAOYSA-N -1 3 392.466 0.565 20 0 GCADHM CS(=O)(=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826222570 607590209 /nfs/dbraw/zinc/59/02/09/607590209.db2.gz BTWJSTAYACEPRB-UHFFFAOYSA-N -1 3 399.376 0.208 20 0 GCADHM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824908956 607591587 /nfs/dbraw/zinc/59/15/87/607591587.db2.gz RYUCCRBLVUFBHH-IUCAKERBSA-N -1 3 384.849 0.795 20 0 GCADHM O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccccc1-c1nnn[n-]1 ZINC000826491566 607591689 /nfs/dbraw/zinc/59/16/89/607591689.db2.gz PNHNPACSJBUXIV-UHFFFAOYSA-N -1 3 389.393 0.953 20 0 GCADHM O=S(=O)(NCCOc1ccc2c(c1)OCO2)c1ccccc1-c1nn[n-]n1 ZINC000826491566 607591691 /nfs/dbraw/zinc/59/16/91/607591691.db2.gz PNHNPACSJBUXIV-UHFFFAOYSA-N -1 3 389.393 0.953 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)cc1-c1nnn[n-]1 ZINC000826196030 607592394 /nfs/dbraw/zinc/59/23/94/607592394.db2.gz OIDFXLQMYYUPHO-JOYOIKCWSA-N -1 3 398.345 0.949 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)cc1-c1nn[n-]n1 ZINC000826196030 607592397 /nfs/dbraw/zinc/59/23/97/607592397.db2.gz OIDFXLQMYYUPHO-JOYOIKCWSA-N -1 3 398.345 0.949 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1-c1nnn[n-]1 ZINC000826197020 607592554 /nfs/dbraw/zinc/59/25/54/607592554.db2.gz WRHLDOJGHGHIOG-YVEFUNNKSA-N -1 3 388.453 0.946 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1-c1nn[n-]n1 ZINC000826197020 607592556 /nfs/dbraw/zinc/59/25/56/607592556.db2.gz WRHLDOJGHGHIOG-YVEFUNNKSA-N -1 3 388.453 0.946 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1-c1nnn[n-]1 ZINC000826197019 607593045 /nfs/dbraw/zinc/59/30/45/607593045.db2.gz WRHLDOJGHGHIOG-SJKOYZFVSA-N -1 3 388.453 0.946 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1-c1nn[n-]n1 ZINC000826197019 607593048 /nfs/dbraw/zinc/59/30/48/607593048.db2.gz WRHLDOJGHGHIOG-SJKOYZFVSA-N -1 3 388.453 0.946 20 0 GCADHM O=S(=O)(NCCNc1cnccn1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826491511 607597923 /nfs/dbraw/zinc/59/79/23/607597923.db2.gz MQEYMGDYHPWONQ-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=S(=O)(NCCNc1cnccn1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826491511 607597925 /nfs/dbraw/zinc/59/79/25/607597925.db2.gz MQEYMGDYHPWONQ-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM COc1ccc(COC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826205771 607599006 /nfs/dbraw/zinc/59/90/06/607599006.db2.gz LYPHEBSFOCEXEC-LBPRGKRZSA-N -1 3 381.414 0.343 20 0 GCADHM COc1ccc(COC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826205771 607599007 /nfs/dbraw/zinc/59/90/07/607599007.db2.gz LYPHEBSFOCEXEC-LBPRGKRZSA-N -1 3 381.414 0.343 20 0 GCADHM COc1ccc(COC(=O)[C@@]23CCC(=O)N2CCS3)cc1-c1nnn[n-]1 ZINC000826205341 607599030 /nfs/dbraw/zinc/59/90/30/607599030.db2.gz SHWYKGZGZZMMNN-INIZCTEOSA-N -1 3 375.410 0.984 20 0 GCADHM COc1ccc(COC(=O)[C@@]23CCC(=O)N2CCS3)cc1-c1nn[n-]n1 ZINC000826205341 607599031 /nfs/dbraw/zinc/59/90/31/607599031.db2.gz SHWYKGZGZZMMNN-INIZCTEOSA-N -1 3 375.410 0.984 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CN1c1ccccc1 ZINC000826478417 607599102 /nfs/dbraw/zinc/59/91/02/607599102.db2.gz BEBQZQSYKMHQFX-GFCCVEGCSA-N -1 3 384.421 0.951 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CN1c1ccccc1 ZINC000826478417 607599104 /nfs/dbraw/zinc/59/91/04/607599104.db2.gz BEBQZQSYKMHQFX-GFCCVEGCSA-N -1 3 384.421 0.951 20 0 GCADHM COc1ccc(COC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826205264 607602298 /nfs/dbraw/zinc/60/22/98/607602298.db2.gz QJRXSWOBTUPPOS-ZDUSSCGKSA-N -1 3 395.441 0.733 20 0 GCADHM COc1ccc(COC(=O)[C@@H]2CCCCN2S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826205264 607602300 /nfs/dbraw/zinc/60/23/00/607602300.db2.gz QJRXSWOBTUPPOS-ZDUSSCGKSA-N -1 3 395.441 0.733 20 0 GCADHM NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000826391977 607605521 /nfs/dbraw/zinc/60/55/21/607605521.db2.gz JTGSYEFXFJXKES-UHFFFAOYSA-N -1 3 385.837 0.295 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCCC[C@H]1C1OCCO1 ZINC000826495047 607604363 /nfs/dbraw/zinc/60/43/63/607604363.db2.gz ARMMHLWFLUZAGL-LBPRGKRZSA-N -1 3 383.405 0.922 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)[C@H](C)N1CCOCC1 ZINC000824640210 607610080 /nfs/dbraw/zinc/61/00/80/607610080.db2.gz CWSLKGFCQRAENX-QWRGUYRKSA-N -1 3 384.437 0.393 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826302123 607610528 /nfs/dbraw/zinc/61/05/28/607610528.db2.gz AQAAHOOYFROFKC-STQMWFEESA-N -1 3 380.474 0.563 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826302123 607610530 /nfs/dbraw/zinc/61/05/30/607610530.db2.gz AQAAHOOYFROFKC-STQMWFEESA-N -1 3 380.474 0.563 20 0 GCADHM COc1ccc(CNC(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1-c1nnn[n-]1 ZINC000826197414 607611951 /nfs/dbraw/zinc/61/19/51/607611951.db2.gz OCOLFNAUUFBOTB-UHFFFAOYSA-N -1 3 394.395 0.379 20 0 GCADHM COc1ccc(CNC(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1-c1nn[n-]n1 ZINC000826197414 607611952 /nfs/dbraw/zinc/61/19/52/607611952.db2.gz OCOLFNAUUFBOTB-UHFFFAOYSA-N -1 3 394.395 0.379 20 0 GCADHM NC(=O)c1ccc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)o1 ZINC000826393292 607615761 /nfs/dbraw/zinc/61/57/61/607615761.db2.gz LQOSSTAPWSFSQH-UHFFFAOYSA-N -1 3 381.308 0.966 20 0 GCADHM CC[S@](=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825669457 607612891 /nfs/dbraw/zinc/61/28/91/607612891.db2.gz YFWWMGMRMFGZHJ-DEOSSOPVSA-N -1 3 397.404 0.932 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000825598778 607613057 /nfs/dbraw/zinc/61/30/57/607613057.db2.gz BVSJSTVFZNFTNG-UHFFFAOYSA-N -1 3 380.474 0.518 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000825598778 607613058 /nfs/dbraw/zinc/61/30/58/607613058.db2.gz BVSJSTVFZNFTNG-UHFFFAOYSA-N -1 3 380.474 0.518 20 0 GCADHM NC(=O)c1ccc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)o1 ZINC000826393292 607615762 /nfs/dbraw/zinc/61/57/62/607615762.db2.gz LQOSSTAPWSFSQH-UHFFFAOYSA-N -1 3 381.308 0.966 20 0 GCADHM CN(C)C(=O)C1(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCCC1 ZINC000825833307 607614633 /nfs/dbraw/zinc/61/46/33/607614633.db2.gz FVIXONIQANMCJA-UHFFFAOYSA-N -1 3 396.448 0.933 20 0 GCADHM COCCN(CC(=O)OC)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826157880 607615386 /nfs/dbraw/zinc/61/53/86/607615386.db2.gz PRZIEDSQFKWDRJ-UHFFFAOYSA-N -1 3 389.821 0.330 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)n1C ZINC000825883861 607615445 /nfs/dbraw/zinc/61/54/45/607615445.db2.gz NTPPQJXGFRKQAB-UHFFFAOYSA-N -1 3 380.409 0.284 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)n1C ZINC000825883861 607615446 /nfs/dbraw/zinc/61/54/46/607615446.db2.gz NTPPQJXGFRKQAB-UHFFFAOYSA-N -1 3 380.409 0.284 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1C ZINC000825884281 607615512 /nfs/dbraw/zinc/61/55/12/607615512.db2.gz XSDVXFOGRHOGKY-UHFFFAOYSA-N -1 3 396.864 0.798 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1C ZINC000825884281 607615513 /nfs/dbraw/zinc/61/55/13/607615513.db2.gz XSDVXFOGRHOGKY-UHFFFAOYSA-N -1 3 396.864 0.798 20 0 GCADHM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)CC2 ZINC000825750453 607616597 /nfs/dbraw/zinc/61/65/97/607616597.db2.gz QUPIISYQYCDVHK-LLVKDONJSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)CC2 ZINC000825750453 607616598 /nfs/dbraw/zinc/61/65/98/607616598.db2.gz QUPIISYQYCDVHK-LLVKDONJSA-N -1 3 388.457 0.622 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@H]1CC ZINC000825599750 607618469 /nfs/dbraw/zinc/61/84/69/607618469.db2.gz QYFAXKOBHUAQOS-CQSZACIVSA-N -1 3 394.501 0.988 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@H]1CC ZINC000825599750 607618471 /nfs/dbraw/zinc/61/84/71/607618471.db2.gz QYFAXKOBHUAQOS-CQSZACIVSA-N -1 3 394.501 0.988 20 0 GCADHM COc1ccc(CNC(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1-c1nnn[n-]1 ZINC000826200566 607618780 /nfs/dbraw/zinc/61/87/80/607618780.db2.gz WSIDXBBQUOGMDZ-UHFFFAOYSA-N -1 3 399.415 0.482 20 0 GCADHM COc1ccc(CNC(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1-c1nn[n-]n1 ZINC000826200566 607618782 /nfs/dbraw/zinc/61/87/82/607618782.db2.gz WSIDXBBQUOGMDZ-UHFFFAOYSA-N -1 3 399.415 0.482 20 0 GCADHM CC(C)Oc1ccc(NC(=O)NCCC(=O)NC(N)=O)cc1-c1nnn[n-]1 ZINC000824329763 607619271 /nfs/dbraw/zinc/61/92/71/607619271.db2.gz VASCVMBYDPFMHJ-UHFFFAOYSA-N -1 3 376.377 0.360 20 0 GCADHM CC(C)Oc1ccc(NC(=O)NCCC(=O)NC(N)=O)cc1-c1nn[n-]n1 ZINC000824329763 607619273 /nfs/dbraw/zinc/61/92/73/607619273.db2.gz VASCVMBYDPFMHJ-UHFFFAOYSA-N -1 3 376.377 0.360 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824859187 607619547 /nfs/dbraw/zinc/61/95/47/607619547.db2.gz NUUXQEHHMVJMCR-BDAKNGLRSA-N -1 3 389.434 0.202 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCS1(=O)=O ZINC000824994887 607619647 /nfs/dbraw/zinc/61/96/47/607619647.db2.gz WNEJGHUCSPMKIG-MRVPVSSYSA-N -1 3 391.862 0.328 20 0 GCADHM C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCS1(=O)=O ZINC000824859188 607619930 /nfs/dbraw/zinc/61/99/30/607619930.db2.gz NUUXQEHHMVJMCR-DTWKUNHWSA-N -1 3 389.434 0.202 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC000826301754 607620094 /nfs/dbraw/zinc/62/00/94/607620094.db2.gz OYASHVDJXMPEOY-GHMZBOCLSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000826301754 607620095 /nfs/dbraw/zinc/62/00/95/607620095.db2.gz OYASHVDJXMPEOY-GHMZBOCLSA-N -1 3 385.471 0.371 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826391981 607620189 /nfs/dbraw/zinc/62/01/89/607620189.db2.gz JWKXUIOSCMTNBH-UHFFFAOYSA-N -1 3 386.294 0.592 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826391981 607620191 /nfs/dbraw/zinc/62/01/91/607620191.db2.gz JWKXUIOSCMTNBH-UHFFFAOYSA-N -1 3 386.294 0.592 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@H](O)Cc1ccccc1 ZINC000824499892 607620954 /nfs/dbraw/zinc/62/09/54/607620954.db2.gz RYMUXJAAAINHDN-CZUORRHYSA-N -1 3 396.455 0.965 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@H](O)Cc1ccccc1 ZINC000824499892 607620956 /nfs/dbraw/zinc/62/09/56/607620956.db2.gz RYMUXJAAAINHDN-CZUORRHYSA-N -1 3 396.455 0.965 20 0 GCADHM COc1ccc(CNC(=O)NCCN2CCO[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000826199928 607622385 /nfs/dbraw/zinc/62/23/85/607622385.db2.gz RTAPHCCQHLJIJF-GFCCVEGCSA-N -1 3 375.433 0.395 20 0 GCADHM COc1ccc(CNC(=O)NCCN2CCO[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000826199928 607622387 /nfs/dbraw/zinc/62/23/87/607622387.db2.gz RTAPHCCQHLJIJF-GFCCVEGCSA-N -1 3 375.433 0.395 20 0 GCADHM CCOC(=O)N1CCN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000825517566 607623860 /nfs/dbraw/zinc/62/38/60/607623860.db2.gz FWRVAIVKIINEHT-UHFFFAOYSA-N -1 3 389.416 0.859 20 0 GCADHM CCOC(=O)N1CCN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000825517566 607623862 /nfs/dbraw/zinc/62/38/62/607623862.db2.gz FWRVAIVKIINEHT-UHFFFAOYSA-N -1 3 389.416 0.859 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1cccc(F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826489558 607625378 /nfs/dbraw/zinc/62/53/78/607625378.db2.gz UEODNHMZVQEORM-CYBMUJFWSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1cccc(F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826489558 607625380 /nfs/dbraw/zinc/62/53/80/607625380.db2.gz UEODNHMZVQEORM-CYBMUJFWSA-N -1 3 393.400 0.724 20 0 GCADHM COc1ccccc1[C@H](O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826218497 607626775 /nfs/dbraw/zinc/62/67/75/607626775.db2.gz DMTVAAYRHPBCMS-CYBMUJFWSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@H](O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826218497 607626776 /nfs/dbraw/zinc/62/67/76/607626776.db2.gz DMTVAAYRHPBCMS-CYBMUJFWSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826219077 607626796 /nfs/dbraw/zinc/62/67/96/607626796.db2.gz SIMFLRZWABKXNS-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826219077 607626797 /nfs/dbraw/zinc/62/67/97/607626797.db2.gz SIMFLRZWABKXNS-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(-n3cnnn3)cc2)cc1-c1nnn[n-]1 ZINC000826200871 607628418 /nfs/dbraw/zinc/62/84/18/607628418.db2.gz NFWGBJYYFLRKFD-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(-n3cnnn3)cc2)cc1-c1nn[n-]n1 ZINC000826200871 607628420 /nfs/dbraw/zinc/62/84/20/607628420.db2.gz NFWGBJYYFLRKFD-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824314874 607628870 /nfs/dbraw/zinc/62/88/70/607628870.db2.gz IUPLKQDWUDZYEF-AWEZNQCLSA-N -1 3 399.473 0.290 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824314874 607628871 /nfs/dbraw/zinc/62/88/71/607628871.db2.gz IUPLKQDWUDZYEF-AWEZNQCLSA-N -1 3 399.473 0.290 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000825621437 607629899 /nfs/dbraw/zinc/62/98/99/607629899.db2.gz TULSCGZVJLSOMU-WCQYABFASA-N -1 3 388.428 0.823 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]([C@H](C)O)C1 ZINC000825621437 607629900 /nfs/dbraw/zinc/62/99/00/607629900.db2.gz TULSCGZVJLSOMU-WCQYABFASA-N -1 3 388.428 0.823 20 0 GCADHM CC(C)(O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000824173041 607630253 /nfs/dbraw/zinc/63/02/53/607630253.db2.gz VZAIAADAQMIVAF-UHFFFAOYSA-N -1 3 384.437 0.083 20 0 GCADHM CC(C)(O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000824173041 607630254 /nfs/dbraw/zinc/63/02/54/607630254.db2.gz VZAIAADAQMIVAF-UHFFFAOYSA-N -1 3 384.437 0.083 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CCCn2ccnc21 ZINC000826185924 607630753 /nfs/dbraw/zinc/63/07/53/607630753.db2.gz YCADJXOVYZMJHC-GFCCVEGCSA-N -1 3 396.411 0.704 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCCn2ccnc21 ZINC000826185924 607630754 /nfs/dbraw/zinc/63/07/54/607630754.db2.gz YCADJXOVYZMJHC-GFCCVEGCSA-N -1 3 396.411 0.704 20 0 GCADHM COCCN(CCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826158687 607630833 /nfs/dbraw/zinc/63/08/33/607630833.db2.gz YRQMLUGTUZSWQP-UHFFFAOYSA-N -1 3 395.363 0.515 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cnn(CC3CC3)c2)cc1-c1nnn[n-]1 ZINC000826196371 607631053 /nfs/dbraw/zinc/63/10/53/607631053.db2.gz ZGRDCYOPFHHTBE-UHFFFAOYSA-N -1 3 396.411 0.737 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cnn(CC3CC3)c2)cc1-c1nn[n-]n1 ZINC000826196371 607631054 /nfs/dbraw/zinc/63/10/54/607631054.db2.gz ZGRDCYOPFHHTBE-UHFFFAOYSA-N -1 3 396.411 0.737 20 0 GCADHM O=S(=O)(NC[C@H](O)COCC1CC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826489781 607631364 /nfs/dbraw/zinc/63/13/64/607631364.db2.gz ZNPAAHCBCHCDTG-JTQLQIEISA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NC[C@H](O)COCC1CC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826489781 607631365 /nfs/dbraw/zinc/63/13/65/607631365.db2.gz ZNPAAHCBCHCDTG-JTQLQIEISA-N -1 3 387.849 0.586 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111280 607632233 /nfs/dbraw/zinc/63/22/33/607632233.db2.gz CJEDXJYSKPIWNU-ABAIWWIYSA-N -1 3 389.412 0.407 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCOCC1 ZINC000826143874 607632253 /nfs/dbraw/zinc/63/22/53/607632253.db2.gz UEIVTXPTSACQSB-UHFFFAOYSA-N -1 3 394.819 0.770 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCOCC1 ZINC000826143874 607632254 /nfs/dbraw/zinc/63/22/54/607632254.db2.gz UEIVTXPTSACQSB-UHFFFAOYSA-N -1 3 394.819 0.770 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000826111837 607632513 /nfs/dbraw/zinc/63/25/13/607632513.db2.gz NGLKLSJWEQXLLL-OAHLLOKOSA-N -1 3 375.385 0.018 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000826111837 607632515 /nfs/dbraw/zinc/63/25/15/607632515.db2.gz NGLKLSJWEQXLLL-OAHLLOKOSA-N -1 3 375.385 0.018 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC1(OC)CCOCC1 ZINC000826185368 607632564 /nfs/dbraw/zinc/63/25/64/607632564.db2.gz IEOVLFHEZDCSPO-UHFFFAOYSA-N -1 3 390.400 0.126 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1(OC)CCOCC1 ZINC000826185368 607632565 /nfs/dbraw/zinc/63/25/65/607632565.db2.gz IEOVLFHEZDCSPO-UHFFFAOYSA-N -1 3 390.400 0.126 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N(CCO)CCCO ZINC000826494197 607634330 /nfs/dbraw/zinc/63/43/30/607634330.db2.gz RZWLDHIFZDKCCD-UHFFFAOYSA-N -1 3 395.363 0.251 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N(CCO)CCCO ZINC000826494197 607634332 /nfs/dbraw/zinc/63/43/32/607634332.db2.gz RZWLDHIFZDKCCD-UHFFFAOYSA-N -1 3 395.363 0.251 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000826495984 607635303 /nfs/dbraw/zinc/63/53/03/607635303.db2.gz HXOIJZKCRJJIHQ-KOLCDFICSA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000826495984 607635304 /nfs/dbraw/zinc/63/53/04/607635304.db2.gz HXOIJZKCRJJIHQ-KOLCDFICSA-N -1 3 377.348 0.943 20 0 GCADHM COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826153469 607636155 /nfs/dbraw/zinc/63/61/55/607636155.db2.gz ONSPXYCPWPHJBV-CYBMUJFWSA-N -1 3 375.838 0.586 20 0 GCADHM COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826153469 607636157 /nfs/dbraw/zinc/63/61/57/607636157.db2.gz ONSPXYCPWPHJBV-CYBMUJFWSA-N -1 3 375.838 0.586 20 0 GCADHM C[C@H](CCO)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824407247 607639585 /nfs/dbraw/zinc/63/95/85/607639585.db2.gz WAQWUMQFGOUYEH-SSDOTTSWSA-N -1 3 376.236 0.678 20 0 GCADHM C[C@H](CCO)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824407247 607639587 /nfs/dbraw/zinc/63/95/87/607639587.db2.gz WAQWUMQFGOUYEH-SSDOTTSWSA-N -1 3 376.236 0.678 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC2(O)Cc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826302925 607640037 /nfs/dbraw/zinc/64/00/37/607640037.db2.gz WMIWJLXORZACAG-UHFFFAOYSA-N -1 3 385.449 0.983 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC2(O)Cc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826302925 607640038 /nfs/dbraw/zinc/64/00/38/607640038.db2.gz WMIWJLXORZACAG-UHFFFAOYSA-N -1 3 385.449 0.983 20 0 GCADHM Cc1cccc(S(=O)(=O)Oc2ccc(OCC(N)=O)cc2)c1-c1nnn[n-]1 ZINC000826304780 607640312 /nfs/dbraw/zinc/64/03/12/607640312.db2.gz XVNKFMAGGGMKTB-UHFFFAOYSA-N -1 3 389.393 0.807 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826302824 607642905 /nfs/dbraw/zinc/64/29/05/607642905.db2.gz TXOSAWVHLXCWOE-RYUDHWBXSA-N -1 3 399.498 0.809 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826302824 607642906 /nfs/dbraw/zinc/64/29/06/607642906.db2.gz TXOSAWVHLXCWOE-RYUDHWBXSA-N -1 3 399.498 0.809 20 0 GCADHM COc1cccc([C@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826215617 607645507 /nfs/dbraw/zinc/64/55/07/607645507.db2.gz UUKRNIJYCRCLNK-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826215617 607645509 /nfs/dbraw/zinc/64/55/09/607645509.db2.gz UUKRNIJYCRCLNK-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826215618 607645877 /nfs/dbraw/zinc/64/58/77/607645877.db2.gz UUKRNIJYCRCLNK-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826215618 607645878 /nfs/dbraw/zinc/64/58/78/607645878.db2.gz UUKRNIJYCRCLNK-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3ccccc3-c3nnn[n-]3)C2)cn1 ZINC000826362023 607647746 /nfs/dbraw/zinc/64/77/46/607647746.db2.gz ABCKAFFBLIDNJJ-GFCCVEGCSA-N -1 3 388.457 0.548 20 0 GCADHM Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3ccccc3-c3nn[n-]n3)C2)cn1 ZINC000826362023 607647748 /nfs/dbraw/zinc/64/77/48/607647748.db2.gz ABCKAFFBLIDNJJ-GFCCVEGCSA-N -1 3 388.457 0.548 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826302053 607649312 /nfs/dbraw/zinc/64/93/12/607649312.db2.gz YYMKSNDWRUHPEZ-CHWSQXEVSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826302053 607649314 /nfs/dbraw/zinc/64/93/14/607649314.db2.gz YYMKSNDWRUHPEZ-CHWSQXEVSA-N -1 3 380.474 0.251 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1=O ZINC000824899423 607653412 /nfs/dbraw/zinc/65/34/12/607653412.db2.gz JQBWEFHKZXYCSJ-HLUHBDAQSA-N -1 3 380.405 0.293 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1=O ZINC000824900365 607653622 /nfs/dbraw/zinc/65/36/22/607653622.db2.gz VAAHZJLIGBTCHJ-QRTLGDNMSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1=O ZINC000824900365 607653624 /nfs/dbraw/zinc/65/36/24/607653624.db2.gz VAAHZJLIGBTCHJ-QRTLGDNMSA-N -1 3 396.860 0.808 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826495354 607653879 /nfs/dbraw/zinc/65/38/79/607653879.db2.gz MVDRRIWWXOMDMS-NSHDSACASA-N -1 3 381.311 0.694 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCN1C[C@H](C)O ZINC000825210921 607649936 /nfs/dbraw/zinc/64/99/36/607649936.db2.gz KCMMQWYUNRNFGG-WCQYABFASA-N -1 3 398.464 0.472 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCN1C[C@H](C)O ZINC000825210921 607649938 /nfs/dbraw/zinc/64/99/38/607649938.db2.gz KCMMQWYUNRNFGG-WCQYABFASA-N -1 3 398.464 0.472 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000825121705 607654180 /nfs/dbraw/zinc/65/41/80/607654180.db2.gz ULIJKPYHRNNUJE-NSHDSACASA-N -1 3 384.437 0.083 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000825121705 607654181 /nfs/dbraw/zinc/65/41/81/607654181.db2.gz ULIJKPYHRNNUJE-NSHDSACASA-N -1 3 384.437 0.083 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CCN1C[C@H](C)O ZINC000825212007 607650557 /nfs/dbraw/zinc/65/05/57/607650557.db2.gz PPPXSAVSTRCNEV-ZFWWWQNUSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CCN1C[C@H](C)O ZINC000825212007 607650559 /nfs/dbraw/zinc/65/05/59/607650559.db2.gz PPPXSAVSTRCNEV-ZFWWWQNUSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1C[C@H](C)O ZINC000825213191 607650743 /nfs/dbraw/zinc/65/07/43/607650743.db2.gz WPEVVZDFHVLOSU-JSGCOSHPSA-N -1 3 380.474 0.332 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1C[C@H](C)O ZINC000825213191 607650745 /nfs/dbraw/zinc/65/07/45/607650745.db2.gz WPEVVZDFHVLOSU-JSGCOSHPSA-N -1 3 380.474 0.332 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H]1CN1CCOCC1 ZINC000826495629 607651515 /nfs/dbraw/zinc/65/15/15/607651515.db2.gz VHNFDUCDDLREED-ZDUSSCGKSA-N -1 3 396.448 0.491 20 0 GCADHM CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000825499714 607652327 /nfs/dbraw/zinc/65/23/27/607652327.db2.gz RXBPTEPOTHWCDT-UHFFFAOYSA-N -1 3 399.404 0.085 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCN1C[C@H](C)O ZINC000825212208 607652363 /nfs/dbraw/zinc/65/23/63/607652363.db2.gz QDHIJABLEDGTAJ-RYUDHWBXSA-N -1 3 398.464 0.472 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCN1C[C@H](C)O ZINC000825212208 607652364 /nfs/dbraw/zinc/65/23/64/607652364.db2.gz QDHIJABLEDGTAJ-RYUDHWBXSA-N -1 3 398.464 0.472 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCN1C[C@H](C)O ZINC000825209751 607652368 /nfs/dbraw/zinc/65/23/68/607652368.db2.gz BWCGIZKFXKDIDH-BBRMVZONSA-N -1 3 394.501 0.474 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCN1C[C@H](C)O ZINC000825209850 607652515 /nfs/dbraw/zinc/65/25/15/607652515.db2.gz DAEDKEBKVLDMHO-NWDGAFQWSA-N -1 3 398.464 0.472 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000825120758 607654300 /nfs/dbraw/zinc/65/43/00/607654300.db2.gz MWHCFRAJDVKULV-AWEZNQCLSA-N -1 3 380.474 0.252 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000825120758 607654302 /nfs/dbraw/zinc/65/43/02/607654302.db2.gz MWHCFRAJDVKULV-AWEZNQCLSA-N -1 3 380.474 0.252 20 0 GCADHM C[C@@H]1CN=C(N2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)S1 ZINC000825000579 607657412 /nfs/dbraw/zinc/65/74/12/607657412.db2.gz SSJDAENVMBLSJE-LLVKDONJSA-N -1 3 393.498 0.664 20 0 GCADHM C[C@@H]1CN=C(N2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)S1 ZINC000825000579 607657414 /nfs/dbraw/zinc/65/74/14/607657414.db2.gz SSJDAENVMBLSJE-LLVKDONJSA-N -1 3 393.498 0.664 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)o1 ZINC000826393107 607661102 /nfs/dbraw/zinc/66/11/02/607661102.db2.gz BTJWFURPVWPVON-UHFFFAOYSA-N -1 3 382.789 0.691 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)o1 ZINC000826393107 607661103 /nfs/dbraw/zinc/66/11/03/607661103.db2.gz BTJWFURPVWPVON-UHFFFAOYSA-N -1 3 382.789 0.691 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000826250828 607664449 /nfs/dbraw/zinc/66/44/49/607664449.db2.gz UNTAYDXCBCSTFT-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000826250828 607664451 /nfs/dbraw/zinc/66/44/51/607664451.db2.gz UNTAYDXCBCSTFT-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM Cc1cccc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826300714 607666263 /nfs/dbraw/zinc/66/62/63/607666263.db2.gz FJBPEBCMQSJFEY-KBPBESRZSA-N -1 3 392.485 0.516 20 0 GCADHM Cc1cccc(S(=O)(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826300714 607666265 /nfs/dbraw/zinc/66/62/65/607666265.db2.gz FJBPEBCMQSJFEY-KBPBESRZSA-N -1 3 392.485 0.516 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000826496999 607668283 /nfs/dbraw/zinc/66/82/83/607668283.db2.gz QMPLMMOZKFACBY-OCCSQVGLSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000826496999 607668284 /nfs/dbraw/zinc/66/82/84/607668284.db2.gz QMPLMMOZKFACBY-OCCSQVGLSA-N -1 3 397.482 0.597 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824967446 607668844 /nfs/dbraw/zinc/66/88/44/607668844.db2.gz KAAMGRHXTWQYOQ-RISCZKNCSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824967446 607668846 /nfs/dbraw/zinc/66/88/46/607668846.db2.gz KAAMGRHXTWQYOQ-RISCZKNCSA-N -1 3 390.469 0.792 20 0 GCADHM Nc1c(-n2cccn2)ncnc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826395569 607671258 /nfs/dbraw/zinc/67/12/58/607671258.db2.gz JFXTXPWJMJMCGZ-UHFFFAOYSA-N -1 3 389.427 0.751 20 0 GCADHM Nc1c(-n2cccn2)ncnc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826395569 607671260 /nfs/dbraw/zinc/67/12/60/607671260.db2.gz JFXTXPWJMJMCGZ-UHFFFAOYSA-N -1 3 389.427 0.751 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000826268108 607671617 /nfs/dbraw/zinc/67/16/17/607671617.db2.gz KEQJWXRTFRCHDQ-SFHVURJKSA-N -1 3 396.386 0.993 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000826268108 607671619 /nfs/dbraw/zinc/67/16/19/607671619.db2.gz KEQJWXRTFRCHDQ-SFHVURJKSA-N -1 3 396.386 0.993 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)C2)C1=O ZINC000824297807 607674734 /nfs/dbraw/zinc/67/47/34/607674734.db2.gz ZZVFUPZGZCHBQM-SFHVURJKSA-N -1 3 382.428 0.660 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)C2)C1=O ZINC000824297807 607674736 /nfs/dbraw/zinc/67/47/36/607674736.db2.gz ZZVFUPZGZCHBQM-SFHVURJKSA-N -1 3 382.428 0.660 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826103025 607675554 /nfs/dbraw/zinc/67/55/54/607675554.db2.gz BSZCHXGELADUMK-LBPRGKRZSA-N -1 3 383.430 0.454 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826103025 607675556 /nfs/dbraw/zinc/67/55/56/607675556.db2.gz BSZCHXGELADUMK-LBPRGKRZSA-N -1 3 383.430 0.454 20 0 GCADHM O=S(=O)(NCC1(CO)COC1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826490295 607678966 /nfs/dbraw/zinc/67/89/66/607678966.db2.gz PIZKXTODLUIQCY-UHFFFAOYSA-N -1 3 393.347 0.173 20 0 GCADHM O=S(=O)(NCC1(CO)COC1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826490295 607678968 /nfs/dbraw/zinc/67/89/68/607678968.db2.gz PIZKXTODLUIQCY-UHFFFAOYSA-N -1 3 393.347 0.173 20 0 GCADHM COCCn1cc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826163610 607687583 /nfs/dbraw/zinc/68/75/83/607687583.db2.gz BXJQMENRHQLCRS-NSHDSACASA-N -1 3 377.430 0.749 20 0 GCADHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC[C@H](CNS(N)(=O)=O)C2)c1 ZINC000832040955 604467916 /nfs/dbraw/zinc/46/79/16/604467916.db2.gz MLHIMGIMQIBXBF-ABAIWWIYSA-N -1 3 387.458 0.335 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000826247936 607700860 /nfs/dbraw/zinc/70/08/60/607700860.db2.gz RLVCWGNWALKCAY-KPZWWZAWSA-N -1 3 383.412 0.625 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000826247936 607700861 /nfs/dbraw/zinc/70/08/61/607700861.db2.gz RLVCWGNWALKCAY-KPZWWZAWSA-N -1 3 383.412 0.625 20 0 GCADHM CCOC(=O)C1(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCC1 ZINC000825494332 607704354 /nfs/dbraw/zinc/70/43/54/607704354.db2.gz WMUQNYOFVSIZJT-UHFFFAOYSA-N -1 3 385.428 0.644 20 0 GCADHM CCOC(=O)C1(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCC1 ZINC000825494332 607704355 /nfs/dbraw/zinc/70/43/55/607704355.db2.gz WMUQNYOFVSIZJT-UHFFFAOYSA-N -1 3 385.428 0.644 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(O)cc1 ZINC000824632988 607706980 /nfs/dbraw/zinc/70/69/80/607706980.db2.gz GDNHCMHADLMZIK-SNVBAGLBSA-N -1 3 388.409 0.878 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(O)cc1 ZINC000824632988 607706981 /nfs/dbraw/zinc/70/69/81/607706981.db2.gz GDNHCMHADLMZIK-SNVBAGLBSA-N -1 3 388.409 0.878 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825211120 607708341 /nfs/dbraw/zinc/70/83/41/607708341.db2.gz LLTBCAFTKZJWAE-WFASDCNBSA-N -1 3 392.485 0.965 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825211120 607708342 /nfs/dbraw/zinc/70/83/42/607708342.db2.gz LLTBCAFTKZJWAE-WFASDCNBSA-N -1 3 392.485 0.965 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCO[C@H](CN(C)c2cccnn2)C1 ZINC000826246013 607710485 /nfs/dbraw/zinc/71/04/85/607710485.db2.gz OPHCIWWUXXPLKI-OAHLLOKOSA-N -1 3 394.439 0.943 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCO[C@H](CN(C)c2cccnn2)C1 ZINC000826246013 607710487 /nfs/dbraw/zinc/71/04/87/607710487.db2.gz OPHCIWWUXXPLKI-OAHLLOKOSA-N -1 3 394.439 0.943 20 0 GCADHM O=C(NCc1cccc(F)n1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826442604 607712502 /nfs/dbraw/zinc/71/25/02/607712502.db2.gz CTCCXPKYJRODJM-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM 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CC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000823975349 607746418 /nfs/dbraw/zinc/74/64/18/607746418.db2.gz XDOSAARGKHLASE-AAEUAGOBSA-N -1 3 378.458 0.710 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000823975349 607746419 /nfs/dbraw/zinc/74/64/19/607746419.db2.gz XDOSAARGKHLASE-AAEUAGOBSA-N -1 3 378.458 0.710 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000823973228 607746467 /nfs/dbraw/zinc/74/64/67/607746467.db2.gz JLEOZLZEVZHDNM-ABAIWWIYSA-N -1 3 378.458 0.543 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000823973228 607746468 /nfs/dbraw/zinc/74/64/68/607746468.db2.gz JLEOZLZEVZHDNM-ABAIWWIYSA-N -1 3 378.458 0.543 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)cc1F)c1cnn([C@H]2CCOC2)c1 ZINC000826493625 607743188 /nfs/dbraw/zinc/74/31/88/607743188.db2.gz UQRYBHMPQLHSKM-JTQLQIEISA-N -1 3 380.361 0.931 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)cc1F)c1cnn([C@H]2CCOC2)c1 ZINC000826493625 607743189 /nfs/dbraw/zinc/74/31/89/607743189.db2.gz UQRYBHMPQLHSKM-JTQLQIEISA-N -1 3 380.361 0.931 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2C)cc1-c1nnn[n-]1 ZINC000826198648 607758765 /nfs/dbraw/zinc/75/87/65/607758765.db2.gz FEBBXULFYQBTBE-IAQYHMDHSA-N -1 3 387.444 0.931 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2C)cc1-c1nn[n-]n1 ZINC000826198648 607758766 /nfs/dbraw/zinc/75/87/66/607758766.db2.gz FEBBXULFYQBTBE-IAQYHMDHSA-N -1 3 387.444 0.931 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000825530889 607760031 /nfs/dbraw/zinc/76/00/31/607760031.db2.gz HHYSKJIRJXNYNL-SECBINFHSA-N -1 3 394.413 0.808 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000825530889 607760032 /nfs/dbraw/zinc/76/00/32/607760032.db2.gz HHYSKJIRJXNYNL-SECBINFHSA-N -1 3 394.413 0.808 20 0 GCADHM O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823176320 606022983 /nfs/dbraw/zinc/02/29/83/606022983.db2.gz RRBVQIIJOXJXMY-UHFFFAOYSA-N -1 3 383.334 0.792 20 0 GCADHM O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823176320 606022988 /nfs/dbraw/zinc/02/29/88/606022988.db2.gz RRBVQIIJOXJXMY-UHFFFAOYSA-N -1 3 383.334 0.792 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000821609590 606033796 /nfs/dbraw/zinc/03/37/96/606033796.db2.gz DBEFJDGOWGXZTM-MRXNPFEDSA-N -1 3 394.439 0.607 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000821609590 606033801 /nfs/dbraw/zinc/03/38/01/606033801.db2.gz DBEFJDGOWGXZTM-MRXNPFEDSA-N -1 3 394.439 0.607 20 0 GCADHM O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823487676 606034043 /nfs/dbraw/zinc/03/40/43/606034043.db2.gz FQYAQEZTDKVSPN-UHFFFAOYSA-N -1 3 379.380 0.953 20 0 GCADHM O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823487676 606034047 /nfs/dbraw/zinc/03/40/47/606034047.db2.gz FQYAQEZTDKVSPN-UHFFFAOYSA-N -1 3 379.380 0.953 20 0 GCADHM COCCNS(=O)(=O)c1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821691550 606046860 /nfs/dbraw/zinc/04/68/60/606046860.db2.gz YMWVNUUBPMAGRI-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM COCCNS(=O)(=O)c1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821691550 606046864 /nfs/dbraw/zinc/04/68/64/606046864.db2.gz YMWVNUUBPMAGRI-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM CC(C)Cn1cnc(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000820111590 606053086 /nfs/dbraw/zinc/05/30/86/606053086.db2.gz BFINCOGCMQUXER-UHFFFAOYSA-N -1 3 391.461 0.505 20 0 GCADHM CC(C)Cn1cnc(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000820111590 606053092 /nfs/dbraw/zinc/05/30/92/606053092.db2.gz BFINCOGCMQUXER-UHFFFAOYSA-N -1 3 391.461 0.505 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCC[C@H](S(N)(=O)=O)C1 ZINC000821702195 606066274 /nfs/dbraw/zinc/06/62/74/606066274.db2.gz KVDWVZAQKVVCPE-LBPRGKRZSA-N -1 3 382.446 0.007 20 0 GCADHM C[S@](=O)CCN1CCN(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821941777 606083284 /nfs/dbraw/zinc/08/32/84/606083284.db2.gz JHIYNFGJYXREES-MHZLTWQESA-N -1 3 391.501 0.191 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000819877320 606089868 /nfs/dbraw/zinc/08/98/68/606089868.db2.gz TWVRLHQSMFQJTR-GFCCVEGCSA-N -1 3 386.460 0.075 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000819877320 606089872 /nfs/dbraw/zinc/08/98/72/606089872.db2.gz TWVRLHQSMFQJTR-GFCCVEGCSA-N -1 3 386.460 0.075 20 0 GCADHM Cc1nsc(N2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000822530695 606094848 /nfs/dbraw/zinc/09/48/48/606094848.db2.gz MXNWIVDOSFGEDE-UHFFFAOYSA-N -1 3 385.457 0.787 20 0 GCADHM Cc1nsc(N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000822530695 606094851 /nfs/dbraw/zinc/09/48/51/606094851.db2.gz MXNWIVDOSFGEDE-UHFFFAOYSA-N -1 3 385.457 0.787 20 0 GCADHM CC(C)c1nnnn1CC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000820211311 606102533 /nfs/dbraw/zinc/10/25/33/606102533.db2.gz HZDWEOTZNIMOAC-UHFFFAOYSA-N -1 3 379.388 0.801 20 0 GCADHM CC(=O)NC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000819810998 606110373 /nfs/dbraw/zinc/11/03/73/606110373.db2.gz SUMDSHDELDJOAU-GFCCVEGCSA-N -1 3 393.473 0.320 20 0 GCADHM CC(=O)NC[C@@H]1CN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000819810998 606110375 /nfs/dbraw/zinc/11/03/75/606110375.db2.gz SUMDSHDELDJOAU-GFCCVEGCSA-N -1 3 393.473 0.320 20 0 GCADHM CCN1CCO[C@@H](C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000821276459 606111330 /nfs/dbraw/zinc/11/13/30/606111330.db2.gz LNRZLZGWGUNOLJ-QGZVFWFLSA-N -1 3 385.472 0.672 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC[C@@H](CC(N)=O)C2)c(-c2nnn[n-]2)c1C ZINC000822541674 606114586 /nfs/dbraw/zinc/11/45/86/606114586.db2.gz PLZQODPDHDREPE-JQWIXIFHSA-N -1 3 375.433 0.991 20 0 GCADHM CCOc1ccc(-n2ncc(C(=O)n3ncc(-c4nnn[n-]4)c3N)c2C)nn1 ZINC000821418093 606114931 /nfs/dbraw/zinc/11/49/31/606114931.db2.gz VXVCTSXUNYPKCP-UHFFFAOYSA-N -1 3 381.360 0.017 20 0 GCADHM Cn1cc(C[C@@H]2CCN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)C2)cn1 ZINC000822673913 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ZINC000819803126 606186777 /nfs/dbraw/zinc/18/67/77/606186777.db2.gz KBYILVSHVNXNTE-UHFFFAOYSA-N -1 3 378.458 0.241 20 0 GCADHM CC(=O)NC1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819803126 606186778 /nfs/dbraw/zinc/18/67/78/606186778.db2.gz KBYILVSHVNXNTE-UHFFFAOYSA-N -1 3 378.458 0.241 20 0 GCADHM CCOCCN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821377871 606187153 /nfs/dbraw/zinc/18/71/53/606187153.db2.gz HCEBOUMSTBXTOD-UHFFFAOYSA-N -1 3 394.501 0.295 20 0 GCADHM CCOCCN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821377871 606187155 /nfs/dbraw/zinc/18/71/55/606187155.db2.gz HCEBOUMSTBXTOD-UHFFFAOYSA-N -1 3 394.501 0.295 20 0 GCADHM C[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC000820481694 606187400 /nfs/dbraw/zinc/18/74/00/606187400.db2.gz YJLATBFBKDTWQI-UONOGXRCSA-N -1 3 394.501 0.027 20 0 GCADHM C[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000820481694 606187403 /nfs/dbraw/zinc/18/74/03/606187403.db2.gz 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Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822242810 606234705 /nfs/dbraw/zinc/23/47/05/606234705.db2.gz YKNALMUZVYSJMS-UHFFFAOYSA-N -1 3 397.395 0.757 20 0 GCADHM Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822242810 606234706 /nfs/dbraw/zinc/23/47/06/606234706.db2.gz YKNALMUZVYSJMS-UHFFFAOYSA-N -1 3 397.395 0.757 20 0 GCADHM CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821334861 606235746 /nfs/dbraw/zinc/23/57/46/606235746.db2.gz RUFSAPQAPPAFRR-SNVBAGLBSA-N -1 3 391.388 0.041 20 0 GCADHM CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000821334861 606235749 /nfs/dbraw/zinc/23/57/49/606235749.db2.gz RUFSAPQAPPAFRR-SNVBAGLBSA-N -1 3 391.388 0.041 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000822222923 606239249 /nfs/dbraw/zinc/23/92/49/606239249.db2.gz YDBSDINULSCRCJ-ZFWWWQNUSA-N -1 3 392.485 0.516 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000822222923 606239250 /nfs/dbraw/zinc/23/92/50/606239250.db2.gz YDBSDINULSCRCJ-ZFWWWQNUSA-N -1 3 392.485 0.516 20 0 GCADHM CN1CCN(C(=O)Cc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)CC1 ZINC000821627348 606260990 /nfs/dbraw/zinc/26/09/90/606260990.db2.gz XYYGRBKMAPUXEE-UHFFFAOYSA-N -1 3 394.439 0.764 20 0 GCADHM CN1CCN(C(=O)Cc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)CC1 ZINC000821627348 606260992 /nfs/dbraw/zinc/26/09/92/606260992.db2.gz XYYGRBKMAPUXEE-UHFFFAOYSA-N -1 3 394.439 0.764 20 0 GCADHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000822459259 606276079 /nfs/dbraw/zinc/27/60/79/606276079.db2.gz OTWHTFWGKJNZDC-UHFFFAOYSA-N -1 3 379.384 0.796 20 0 GCADHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000822459259 606276080 /nfs/dbraw/zinc/27/60/80/606276080.db2.gz OTWHTFWGKJNZDC-UHFFFAOYSA-N -1 3 379.384 0.796 20 0 GCADHM CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(-c3nnn[n-]3)cn2C)C1=O 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FJHJXSQOVLVROO-UHFFFAOYSA-N -1 3 396.411 0.358 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)cn1C)Cc1ccc(O)cc1 ZINC000821640518 606286011 /nfs/dbraw/zinc/28/60/11/606286011.db2.gz JZPUKZJMJPATFQ-GFCCVEGCSA-N -1 3 384.396 0.673 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)cn1C)Cc1ccc(O)cc1 ZINC000821640518 606286013 /nfs/dbraw/zinc/28/60/13/606286013.db2.gz JZPUKZJMJPATFQ-GFCCVEGCSA-N -1 3 384.396 0.673 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000822627097 606290863 /nfs/dbraw/zinc/29/08/63/606290863.db2.gz JOZKIWTYXRFVMT-UHFFFAOYSA-N -1 3 397.443 0.814 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000822627097 606290865 /nfs/dbraw/zinc/29/08/65/606290865.db2.gz JOZKIWTYXRFVMT-UHFFFAOYSA-N -1 3 397.443 0.814 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@H](O)COCC1CC1 ZINC000821700238 606291705 /nfs/dbraw/zinc/29/17/05/606291705.db2.gz IAYFPVZEFBLVPM-ZDUSSCGKSA-N -1 3 377.401 0.158 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@H](O)COCC1CC1 ZINC000821700238 606291707 /nfs/dbraw/zinc/29/17/07/606291707.db2.gz IAYFPVZEFBLVPM-ZDUSSCGKSA-N -1 3 377.401 0.158 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@@H](O)COCC1CC1 ZINC000821700237 606291750 /nfs/dbraw/zinc/29/17/50/606291750.db2.gz IAYFPVZEFBLVPM-CYBMUJFWSA-N -1 3 377.401 0.158 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@H](O)COCC1CC1 ZINC000821700237 606291753 /nfs/dbraw/zinc/29/17/53/606291753.db2.gz IAYFPVZEFBLVPM-CYBMUJFWSA-N -1 3 377.401 0.158 20 0 GCADHM Cc1nc(CN2CCC[C@@H](N(C)C(=O)c3cc(-c4nnn[n-]4)cn3C)C2)no1 ZINC000822439958 606292103 /nfs/dbraw/zinc/29/21/03/606292103.db2.gz GOPVISAXZRMQJC-CYBMUJFWSA-N -1 3 385.432 0.633 20 0 GCADHM Cc1nc(CN2CCC[C@@H](N(C)C(=O)c3cc(-c4nn[n-]n4)cn3C)C2)no1 ZINC000822439958 606292105 /nfs/dbraw/zinc/29/21/05/606292105.db2.gz GOPVISAXZRMQJC-CYBMUJFWSA-N -1 3 385.432 0.633 20 0 GCADHM CCN(CCCN[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000821206731 606301088 /nfs/dbraw/zinc/30/10/88/606301088.db2.gz DKVADLOESMBKLN-AWEZNQCLSA-N -1 3 396.473 0.342 20 0 GCADHM CCN(CCCN[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000821206731 606301090 /nfs/dbraw/zinc/30/10/90/606301090.db2.gz DKVADLOESMBKLN-AWEZNQCLSA-N -1 3 396.473 0.342 20 0 GCADHM C[C@]1(C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)NC(=O)NC1=O ZINC000820612759 606301750 /nfs/dbraw/zinc/30/17/50/606301750.db2.gz IMNNFCYZVINCBV-OAHLLOKOSA-N -1 3 376.808 0.730 20 0 GCADHM C[C@]1(C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)NC(=O)NC1=O ZINC000820612759 606301752 /nfs/dbraw/zinc/30/17/52/606301752.db2.gz IMNNFCYZVINCBV-OAHLLOKOSA-N -1 3 376.808 0.730 20 0 GCADHM CC(=O)N1CCCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000819797055 606312829 /nfs/dbraw/zinc/31/28/29/606312829.db2.gz RWCZQVMYYAQWOT-CYBMUJFWSA-N -1 3 375.458 0.588 20 0 GCADHM CC(=O)N1CCCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000819797055 606312831 /nfs/dbraw/zinc/31/28/31/606312831.db2.gz RWCZQVMYYAQWOT-CYBMUJFWSA-N -1 3 375.458 0.588 20 0 GCADHM CC(=O)N1CCCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000819797056 606313123 /nfs/dbraw/zinc/31/31/23/606313123.db2.gz RWCZQVMYYAQWOT-ZDUSSCGKSA-N -1 3 375.458 0.588 20 0 GCADHM CC(=O)N1CCCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000819797056 606313125 /nfs/dbraw/zinc/31/31/25/606313125.db2.gz RWCZQVMYYAQWOT-ZDUSSCGKSA-N -1 3 375.458 0.588 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000821651603 606315514 /nfs/dbraw/zinc/31/55/14/606315514.db2.gz CEXNECUGOYJHIV-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000821651603 606315515 /nfs/dbraw/zinc/31/55/15/606315515.db2.gz CEXNECUGOYJHIV-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000821651502 606315910 /nfs/dbraw/zinc/31/59/10/606315910.db2.gz ALQMJHAXPIJCSN-MRXNPFEDSA-N -1 3 399.455 0.914 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000821651502 606315911 /nfs/dbraw/zinc/31/59/11/606315911.db2.gz ALQMJHAXPIJCSN-MRXNPFEDSA-N -1 3 399.455 0.914 20 0 GCADHM CC(=O)NC[C@@H]1CCCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000819804127 606316853 /nfs/dbraw/zinc/31/68/53/606316853.db2.gz UVJOBHUMNNNXHP-JSGCOSHPSA-N -1 3 389.485 0.882 20 0 GCADHM CC(=O)NC[C@@H]1CCCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000819804127 606316855 /nfs/dbraw/zinc/31/68/55/606316855.db2.gz UVJOBHUMNNNXHP-JSGCOSHPSA-N -1 3 389.485 0.882 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000823460591 606317300 /nfs/dbraw/zinc/31/73/00/606317300.db2.gz QXTWWWULOKXBOO-RYUDHWBXSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000823460591 606317301 /nfs/dbraw/zinc/31/73/01/606317301.db2.gz QXTWWWULOKXBOO-RYUDHWBXSA-N -1 3 380.430 0.003 20 0 GCADHM O=C1[C@@H](N2CCN(c3cccnn3)CC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503054 606319944 /nfs/dbraw/zinc/31/99/44/606319944.db2.gz ARTCLVIIGXVKGO-ZDUSSCGKSA-N -1 3 397.468 0.646 20 0 GCADHM O=C1[C@@H](N2CCN(c3cccnn3)CC2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503054 606319946 /nfs/dbraw/zinc/31/99/46/606319946.db2.gz ARTCLVIIGXVKGO-ZDUSSCGKSA-N -1 3 397.468 0.646 20 0 GCADHM C[C@H](O)CN1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C[C@H]1C ZINC000820481565 606320499 /nfs/dbraw/zinc/32/04/99/606320499.db2.gz XOFMXICICXOOJZ-MBNYWOFBSA-N -1 3 391.501 0.420 20 0 GCADHM CN(C[C@H]1CN(C)CCO1)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821628733 606320640 /nfs/dbraw/zinc/32/06/40/606320640.db2.gz PARSWMJGNGXPRX-DGCLKSJQSA-N -1 3 377.474 0.296 20 0 GCADHM CN(C[C@H]1CN(C)CCO1)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821628733 606320642 /nfs/dbraw/zinc/32/06/42/606320642.db2.gz PARSWMJGNGXPRX-DGCLKSJQSA-N -1 3 377.474 0.296 20 0 GCADHM O=C1[C@@H](N2CCC[C@H](n3cncn3)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503142 606322052 /nfs/dbraw/zinc/32/20/52/606322052.db2.gz CBZNPCRBYHYPQW-AAEUAGOBSA-N -1 3 385.457 0.962 20 0 GCADHM O=C1[C@@H](N2CCC[C@H](n3cncn3)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503142 606322055 /nfs/dbraw/zinc/32/20/55/606322055.db2.gz CBZNPCRBYHYPQW-AAEUAGOBSA-N -1 3 385.457 0.962 20 0 GCADHM CNS(=O)(=O)C1CCN([C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821636460 606322665 /nfs/dbraw/zinc/32/26/65/606322665.db2.gz RCQDJFIXQGOMKN-AWEZNQCLSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C1CCN([C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821636460 606322666 /nfs/dbraw/zinc/32/26/66/606322666.db2.gz RCQDJFIXQGOMKN-AWEZNQCLSA-N -1 3 394.457 0.094 20 0 GCADHM O=C1[C@H](N2CCCS(=O)(=O)CC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823504295 606323650 /nfs/dbraw/zinc/32/36/50/606323650.db2.gz OWEARFQHIUFUMX-LLVKDONJSA-N -1 3 382.471 0.154 20 0 GCADHM O=C1[C@H](N2CCCS(=O)(=O)CC2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823504295 606323651 /nfs/dbraw/zinc/32/36/51/606323651.db2.gz OWEARFQHIUFUMX-LLVKDONJSA-N -1 3 382.471 0.154 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CCO1 ZINC000821326468 606330236 /nfs/dbraw/zinc/33/02/36/606330236.db2.gz XVVWVSBHMZFGBY-NEPJUHHUSA-N -1 3 392.441 0.297 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CCO1 ZINC000821326468 606330237 /nfs/dbraw/zinc/33/02/37/606330237.db2.gz XVVWVSBHMZFGBY-NEPJUHHUSA-N -1 3 392.441 0.297 20 0 GCADHM NC(=O)NC1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000822874330 606331868 /nfs/dbraw/zinc/33/18/68/606331868.db2.gz XRWDYQFOUSFKKZ-NSHDSACASA-N -1 3 376.446 0.166 20 0 GCADHM NC(=O)NC1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000822874330 606331869 /nfs/dbraw/zinc/33/18/69/606331869.db2.gz XRWDYQFOUSFKKZ-NSHDSACASA-N -1 3 376.446 0.166 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000821649951 606334184 /nfs/dbraw/zinc/33/41/84/606334184.db2.gz HDGQMHAVUDWXFO-XYPHTWIQSA-N -1 3 386.456 0.733 20 0 GCADHM CN1CCC[C@H](NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000821623088 606336078 /nfs/dbraw/zinc/33/60/78/606336078.db2.gz CDBXVEBTOZSTFX-AWEZNQCLSA-N -1 3 384.444 0.319 20 0 GCADHM CN1CCC[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000821623088 606336079 /nfs/dbraw/zinc/33/60/79/606336079.db2.gz CDBXVEBTOZSTFX-AWEZNQCLSA-N -1 3 384.444 0.319 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000267979733 606337009 /nfs/dbraw/zinc/33/70/09/606337009.db2.gz FMROBNADRAXSOD-UHFFFAOYSA-N -1 3 381.418 0.298 20 0 GCADHM NC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000822873841 606338301 /nfs/dbraw/zinc/33/83/01/606338301.db2.gz MFMLOWWFDQPNJS-UHFFFAOYSA-N -1 3 385.837 0.342 20 0 GCADHM NC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000822873841 606338303 /nfs/dbraw/zinc/33/83/03/606338303.db2.gz MFMLOWWFDQPNJS-UHFFFAOYSA-N -1 3 385.837 0.342 20 0 GCADHM CC(=O)NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819810743 606339006 /nfs/dbraw/zinc/33/90/06/606339006.db2.gz OLOYJMJXQHJDAF-UHFFFAOYSA-N -1 3 378.336 0.300 20 0 GCADHM CC(=O)NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819810743 606339007 /nfs/dbraw/zinc/33/90/07/606339007.db2.gz OLOYJMJXQHJDAF-UHFFFAOYSA-N -1 3 378.336 0.300 20 0 GCADHM CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821276869 606341354 /nfs/dbraw/zinc/34/13/54/606341354.db2.gz ONHLOTIVBKEZOJ-ZETCQYMHSA-N -1 3 392.363 0.688 20 0 GCADHM CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821276869 606341355 /nfs/dbraw/zinc/34/13/55/606341355.db2.gz ONHLOTIVBKEZOJ-ZETCQYMHSA-N -1 3 392.363 0.688 20 0 GCADHM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821630224 606341570 /nfs/dbraw/zinc/34/15/70/606341570.db2.gz QJTJZVVLKPUKIZ-LURJTMIESA-N -1 3 378.336 0.298 20 0 GCADHM CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821630224 606341571 /nfs/dbraw/zinc/34/15/71/606341571.db2.gz QJTJZVVLKPUKIZ-LURJTMIESA-N -1 3 378.336 0.298 20 0 GCADHM NS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822898817 606362010 /nfs/dbraw/zinc/36/20/10/606362010.db2.gz ADFVTCXDEHJXHM-UHFFFAOYSA-N -1 3 381.395 0.282 20 0 GCADHM NS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822898817 606362011 /nfs/dbraw/zinc/36/20/11/606362011.db2.gz ADFVTCXDEHJXHM-UHFFFAOYSA-N -1 3 381.395 0.282 20 0 GCADHM CNS(=O)(=O)c1csc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821637552 606362912 /nfs/dbraw/zinc/36/29/12/606362912.db2.gz KWCWIICEUHWUAT-UHFFFAOYSA-N -1 3 396.429 0.905 20 0 GCADHM CNS(=O)(=O)c1csc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821637552 606362913 /nfs/dbraw/zinc/36/29/13/606362913.db2.gz KWCWIICEUHWUAT-UHFFFAOYSA-N -1 3 396.429 0.905 20 0 GCADHM CNS(=O)(=O)c1csc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821637792 606362927 /nfs/dbraw/zinc/36/29/27/606362927.db2.gz UECHCZJKCJYSQX-UHFFFAOYSA-N -1 3 378.439 0.766 20 0 GCADHM CNS(=O)(=O)c1csc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821637792 606362928 /nfs/dbraw/zinc/36/29/28/606362928.db2.gz UECHCZJKCJYSQX-UHFFFAOYSA-N -1 3 378.439 0.766 20 0 GCADHM CCCC(=O)NCC(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821009552 606369353 /nfs/dbraw/zinc/36/93/53/606369353.db2.gz VPHMHCADINPMEQ-SNVBAGLBSA-N -1 3 378.414 0.493 20 0 GCADHM CCCC(=O)NCC(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821009552 606369354 /nfs/dbraw/zinc/36/93/54/606369354.db2.gz VPHMHCADINPMEQ-SNVBAGLBSA-N -1 3 378.414 0.493 20 0 GCADHM CCC(=O)N[C@H](C)C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000820837967 606369386 /nfs/dbraw/zinc/36/93/86/606369386.db2.gz OMCQLFHXFJGIJC-SCZZXKLOSA-N -1 3 378.414 0.491 20 0 GCADHM CCC(=O)N[C@H](C)C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820837967 606369387 /nfs/dbraw/zinc/36/93/87/606369387.db2.gz OMCQLFHXFJGIJC-SCZZXKLOSA-N -1 3 378.414 0.491 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000820837977 606369742 /nfs/dbraw/zinc/36/97/42/606369742.db2.gz OMCQLFHXFJGIJC-WPRPVWTQSA-N -1 3 378.414 0.491 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000820837977 606369745 /nfs/dbraw/zinc/36/97/45/606369745.db2.gz OMCQLFHXFJGIJC-WPRPVWTQSA-N -1 3 378.414 0.491 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCCNC(=O)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821646733 606369904 /nfs/dbraw/zinc/36/99/04/606369904.db2.gz NKSHSNSLWZQLNH-HNNXBMFYSA-N -1 3 387.396 0.930 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCCNC(=O)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821646733 606369906 /nfs/dbraw/zinc/36/99/06/606369906.db2.gz NKSHSNSLWZQLNH-HNNXBMFYSA-N -1 3 387.396 0.930 20 0 GCADHM C[C@H](C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)S(C)(=O)=O ZINC000819883568 606371308 /nfs/dbraw/zinc/37/13/08/606371308.db2.gz ICTDNEXGAMRHHF-APPZFPTMSA-N -1 3 385.427 0.010 20 0 GCADHM C[C@H](C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)S(C)(=O)=O ZINC000819883568 606371309 /nfs/dbraw/zinc/37/13/09/606371309.db2.gz ICTDNEXGAMRHHF-APPZFPTMSA-N -1 3 385.427 0.010 20 0 GCADHM Cn1cc(C(=O)C(=O)O[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cn1 ZINC000822669843 606374237 /nfs/dbraw/zinc/37/42/37/606374237.db2.gz RYYCSESVDXDXAM-JTQLQIEISA-N -1 3 387.381 0.193 20 0 GCADHM Cn1cc(C(=O)C(=O)O[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cn1 ZINC000822669843 606374239 /nfs/dbraw/zinc/37/42/39/606374239.db2.gz RYYCSESVDXDXAM-JTQLQIEISA-N -1 3 387.381 0.193 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821634965 606375185 /nfs/dbraw/zinc/37/51/85/606375185.db2.gz DBMPOVFTMVVBTF-CQSZACIVSA-N -1 3 396.363 0.692 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821634965 606375187 /nfs/dbraw/zinc/37/51/87/606375187.db2.gz DBMPOVFTMVVBTF-CQSZACIVSA-N -1 3 396.363 0.692 20 0 GCADHM CN(CC(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O)C(=O)C1CC1 ZINC000821593978 606376377 /nfs/dbraw/zinc/37/63/77/606376377.db2.gz SERVTVNFSKWBLS-LLVKDONJSA-N -1 3 390.425 0.445 20 0 GCADHM CN(CC(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O)C(=O)C1CC1 ZINC000821593978 606376379 /nfs/dbraw/zinc/37/63/79/606376379.db2.gz SERVTVNFSKWBLS-LLVKDONJSA-N -1 3 390.425 0.445 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)c1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000821647210 606378343 /nfs/dbraw/zinc/37/83/43/606378343.db2.gz VWLCGYVZXZFRGD-OAHLLOKOSA-N -1 3 396.363 0.449 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)c1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000821647210 606378345 /nfs/dbraw/zinc/37/83/45/606378345.db2.gz VWLCGYVZXZFRGD-OAHLLOKOSA-N -1 3 396.363 0.449 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000821647209 606378599 /nfs/dbraw/zinc/37/85/99/606378599.db2.gz VWLCGYVZXZFRGD-HNNXBMFYSA-N -1 3 396.363 0.449 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000821647209 606378600 /nfs/dbraw/zinc/37/86/00/606378600.db2.gz VWLCGYVZXZFRGD-HNNXBMFYSA-N -1 3 396.363 0.449 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccn(CC(F)F)n1 ZINC000823005125 606380854 /nfs/dbraw/zinc/38/08/54/606380854.db2.gz CZAPZUASDBFSRK-UHFFFAOYSA-N -1 3 376.327 0.697 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccn(CC(F)F)n1 ZINC000823005125 606380856 /nfs/dbraw/zinc/38/08/56/606380856.db2.gz CZAPZUASDBFSRK-UHFFFAOYSA-N -1 3 376.327 0.697 20 0 GCADHM COC(=O)c1cccn2cc(COC(=O)c3cc(-c4nnn[n-]4)cn3C)nc12 ZINC000821670271 606383203 /nfs/dbraw/zinc/38/32/03/606383203.db2.gz VQODCRQUTUUSQF-UHFFFAOYSA-N -1 3 381.352 0.997 20 0 GCADHM COC(=O)c1cccn2cc(COC(=O)c3cc(-c4nn[n-]n4)cn3C)nc12 ZINC000821670271 606383205 /nfs/dbraw/zinc/38/32/05/606383205.db2.gz VQODCRQUTUUSQF-UHFFFAOYSA-N -1 3 381.352 0.997 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)Nc1ccn(CC(F)F)n1 ZINC000823206182 606383262 /nfs/dbraw/zinc/38/32/62/606383262.db2.gz NCILZQOFCWIAKD-UHFFFAOYSA-N -1 3 378.347 0.957 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)Nc1ccn(CC(F)F)n1 ZINC000823206182 606383264 /nfs/dbraw/zinc/38/32/64/606383264.db2.gz NCILZQOFCWIAKD-UHFFFAOYSA-N -1 3 378.347 0.957 20 0 GCADHM COC(=O)c1sccc1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821672250 606384214 /nfs/dbraw/zinc/38/42/14/606384214.db2.gz DNDDSWPFCOUBJA-UHFFFAOYSA-N -1 3 390.381 0.849 20 0 GCADHM COC(=O)c1sccc1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821672250 606384217 /nfs/dbraw/zinc/38/42/17/606384217.db2.gz DNDDSWPFCOUBJA-UHFFFAOYSA-N -1 3 390.381 0.849 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000822216389 606386092 /nfs/dbraw/zinc/38/60/92/606386092.db2.gz NRQCSSOGVUYYPW-UHFFFAOYSA-N -1 3 380.430 0.053 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000822216389 606386094 /nfs/dbraw/zinc/38/60/94/606386094.db2.gz NRQCSSOGVUYYPW-UHFFFAOYSA-N -1 3 380.430 0.053 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)C(=O)NC(=O)NC1CCCCC1 ZINC000820503048 606388611 /nfs/dbraw/zinc/38/86/11/606388611.db2.gz XRCPBCULFJNXOT-SNVBAGLBSA-N -1 3 389.416 0.909 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)C(=O)NC(=O)NC1CCCCC1 ZINC000820503048 606388614 /nfs/dbraw/zinc/38/86/14/606388614.db2.gz XRCPBCULFJNXOT-SNVBAGLBSA-N -1 3 389.416 0.909 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000822659807 606389570 /nfs/dbraw/zinc/38/95/70/606389570.db2.gz OQUWVHMWEGHRLR-UHFFFAOYSA-N -1 3 384.352 0.407 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000822659807 606389571 /nfs/dbraw/zinc/38/95/71/606389571.db2.gz OQUWVHMWEGHRLR-UHFFFAOYSA-N -1 3 384.352 0.407 20 0 GCADHM COC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821670257 606390516 /nfs/dbraw/zinc/39/05/16/606390516.db2.gz VANVFXYKKZPKRS-UHFFFAOYSA-N -1 3 384.352 0.787 20 0 GCADHM COC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821670257 606390517 /nfs/dbraw/zinc/39/05/17/606390517.db2.gz VANVFXYKKZPKRS-UHFFFAOYSA-N -1 3 384.352 0.787 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCNS(=O)(=O)c1ccccc1 ZINC000822660468 606390984 /nfs/dbraw/zinc/39/09/84/606390984.db2.gz ZNNOFXOWCLBMDZ-UHFFFAOYSA-N -1 3 376.398 0.341 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCNS(=O)(=O)c1ccccc1 ZINC000822660468 606390986 /nfs/dbraw/zinc/39/09/86/606390986.db2.gz ZNNOFXOWCLBMDZ-UHFFFAOYSA-N -1 3 376.398 0.341 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC(=O)NC(=O)NCc1ccccc1 ZINC000822659917 606391314 /nfs/dbraw/zinc/39/13/14/606391314.db2.gz QRCOHOANLNUHBT-UHFFFAOYSA-N -1 3 383.368 0.388 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC(=O)NC(=O)NCc1ccccc1 ZINC000822659917 606391316 /nfs/dbraw/zinc/39/13/16/606391316.db2.gz QRCOHOANLNUHBT-UHFFFAOYSA-N -1 3 383.368 0.388 20 0 GCADHM C[C@@H]1CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1N1CCOCC1 ZINC000820732827 606393573 /nfs/dbraw/zinc/39/35/73/606393573.db2.gz AFHLFXXROXWJCP-MLGOLLRUSA-N -1 3 389.435 0.868 20 0 GCADHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822462645 606393835 /nfs/dbraw/zinc/39/38/35/606393835.db2.gz KIIMEGWOGBBPCR-AWEZNQCLSA-N -1 3 383.416 0.980 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821634927 606395323 /nfs/dbraw/zinc/39/53/23/606395323.db2.gz BIEYTNSSYFZOGX-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821634927 606395325 /nfs/dbraw/zinc/39/53/25/606395325.db2.gz BIEYTNSSYFZOGX-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822708815 606395485 /nfs/dbraw/zinc/39/54/85/606395485.db2.gz COUZOKIVVJLCSI-GFCCVEGCSA-N -1 3 384.375 0.872 20 0 GCADHM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822708815 606395486 /nfs/dbraw/zinc/39/54/86/606395486.db2.gz COUZOKIVVJLCSI-GFCCVEGCSA-N -1 3 384.375 0.872 20 0 GCADHM COC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821664975 606398194 /nfs/dbraw/zinc/39/81/94/606398194.db2.gz QLUIEBPTECBGSV-UHFFFAOYSA-N -1 3 391.363 0.291 20 0 GCADHM COC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821664975 606398196 /nfs/dbraw/zinc/39/81/96/606398196.db2.gz QLUIEBPTECBGSV-UHFFFAOYSA-N -1 3 391.363 0.291 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821655123 606400206 /nfs/dbraw/zinc/40/02/06/606400206.db2.gz FSPXBHSRTRVRHK-UHFFFAOYSA-N -1 3 390.375 0.792 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821655123 606400207 /nfs/dbraw/zinc/40/02/07/606400207.db2.gz FSPXBHSRTRVRHK-UHFFFAOYSA-N -1 3 390.375 0.792 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000820467586 606400757 /nfs/dbraw/zinc/40/07/57/606400757.db2.gz KFBLCCVBKOKNHK-GOSISDBHSA-N -1 3 384.371 0.968 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000820467586 606400758 /nfs/dbraw/zinc/40/07/58/606400758.db2.gz KFBLCCVBKOKNHK-GOSISDBHSA-N -1 3 384.371 0.968 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819884443 606400866 /nfs/dbraw/zinc/40/08/66/606400866.db2.gz WVDUNRQRMATCNM-BDAKNGLRSA-N -1 3 398.420 0.224 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819884443 606400868 /nfs/dbraw/zinc/40/08/68/606400868.db2.gz WVDUNRQRMATCNM-BDAKNGLRSA-N -1 3 398.420 0.224 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819949902 606400926 /nfs/dbraw/zinc/40/09/26/606400926.db2.gz BNHBWQXPWSXBRO-SANMLTNESA-N -1 3 382.421 0.608 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819949902 606400928 /nfs/dbraw/zinc/40/09/28/606400928.db2.gz BNHBWQXPWSXBRO-SANMLTNESA-N -1 3 382.421 0.608 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)CN1CCOCC1 ZINC000820262813 606402492 /nfs/dbraw/zinc/40/24/92/606402492.db2.gz ZPHTWYJGAMEZDU-LLVKDONJSA-N -1 3 391.407 0.029 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)NC(C)(C)C ZINC000820313103 606403703 /nfs/dbraw/zinc/40/37/03/606403703.db2.gz ANSQBGHNPPVBOI-QMMMGPOBSA-N -1 3 377.380 0.364 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)NC(C)(C)C ZINC000820313103 606403704 /nfs/dbraw/zinc/40/37/04/606403704.db2.gz ANSQBGHNPPVBOI-QMMMGPOBSA-N -1 3 377.380 0.364 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000823337536 606403716 /nfs/dbraw/zinc/40/37/16/606403716.db2.gz 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/nfs/dbraw/zinc/45/48/05/606454805.db2.gz DNELMAGOVOLNJV-AWEZNQCLSA-N -1 3 380.412 0.588 20 0 GCADHM COC(=O)C[C@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCO1 ZINC000821660515 606455349 /nfs/dbraw/zinc/45/53/49/606455349.db2.gz UQPJRQDHHXFAMR-ZDUSSCGKSA-N -1 3 385.384 0.681 20 0 GCADHM COC(=O)C[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCO1 ZINC000821660515 606455350 /nfs/dbraw/zinc/45/53/50/606455350.db2.gz UQPJRQDHHXFAMR-ZDUSSCGKSA-N -1 3 385.384 0.681 20 0 GCADHM COC(=O)C1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCCC1 ZINC000821654280 606457222 /nfs/dbraw/zinc/45/72/22/606457222.db2.gz ZFJJPPNPUCAFHK-UHFFFAOYSA-N -1 3 390.375 0.794 20 0 GCADHM COC(=O)C1(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCCC1 ZINC000821654280 606457223 /nfs/dbraw/zinc/45/72/23/606457223.db2.gz ZFJJPPNPUCAFHK-UHFFFAOYSA-N -1 3 390.375 0.794 20 0 GCADHM CCC[C@H]1C[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821035034 606457259 /nfs/dbraw/zinc/45/72/59/606457259.db2.gz ZJBNKDQRWXMFSX-UONOGXRCSA-N -1 3 395.427 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CC(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CCO1 ZINC000819810738 606493506 /nfs/dbraw/zinc/49/35/06/606493506.db2.gz OJHLFYOMHZVHAK-CYBMUJFWSA-N -1 3 382.371 0.805 20 0 GCADHM CC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CCO1 ZINC000819810738 606493508 /nfs/dbraw/zinc/49/35/08/606493508.db2.gz OJHLFYOMHZVHAK-CYBMUJFWSA-N -1 3 382.371 0.805 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccccc1)c1cc(-c2nnn[n-]2)cs1 ZINC000823201556 606493584 /nfs/dbraw/zinc/49/35/84/606493584.db2.gz JGOVTDBPKAWSAH-UHFFFAOYSA-N -1 3 392.466 0.778 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccccc1)c1cc(-c2nn[n-]n2)cs1 ZINC000823201556 606493586 /nfs/dbraw/zinc/49/35/86/606493586.db2.gz JGOVTDBPKAWSAH-UHFFFAOYSA-N -1 3 392.466 0.778 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCc1cccnc1N1CCOCC1 ZINC000823103908 606502427 /nfs/dbraw/zinc/50/24/27/606502427.db2.gz OICJRCXJYULHKD-UHFFFAOYSA-N -1 3 379.424 0.957 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCc1cccnc1N1CCOCC1 ZINC000823103908 606502428 /nfs/dbraw/zinc/50/24/28/606502428.db2.gz 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ZINC000819796806 606550645 /nfs/dbraw/zinc/55/06/45/606550645.db2.gz POEWBVKVBFBLSN-FZMZJTMJSA-N -1 3 389.485 0.553 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822698989 606554186 /nfs/dbraw/zinc/55/41/86/606554186.db2.gz KMUKSAUNBVNHDL-UHFFFAOYSA-N -1 3 380.456 0.877 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822698989 606554188 /nfs/dbraw/zinc/55/41/88/606554188.db2.gz KMUKSAUNBVNHDL-UHFFFAOYSA-N -1 3 380.456 0.877 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821441815 606556769 /nfs/dbraw/zinc/55/67/69/606556769.db2.gz OZPCJVWTUISVGQ-UHFFFAOYSA-N -1 3 392.485 0.682 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821441815 606556770 /nfs/dbraw/zinc/55/67/70/606556770.db2.gz OZPCJVWTUISVGQ-UHFFFAOYSA-N -1 3 392.485 0.682 20 0 GCADHM COCCCS(=O)(=O)NCCOC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821688551 606562270 /nfs/dbraw/zinc/56/22/70/606562270.db2.gz PLNYUZSEMGWROE-UHFFFAOYSA-N -1 3 375.432 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C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC000820752073 606595332 /nfs/dbraw/zinc/59/53/32/606595332.db2.gz JZMRBWLTKGJFHL-JHJVBQTASA-N -1 3 389.464 0.706 20 0 GCADHM C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC000820752073 606595334 /nfs/dbraw/zinc/59/53/34/606595334.db2.gz JZMRBWLTKGJFHL-JHJVBQTASA-N -1 3 389.464 0.706 20 0 GCADHM NC(CN1CCOCC1)=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822890545 606595861 /nfs/dbraw/zinc/59/58/61/606595861.db2.gz WYQGIBDZZSNZRU-UHFFFAOYSA-N -1 3 383.359 0.799 20 0 GCADHM NC(CN1CCOCC1)=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822890545 606595862 /nfs/dbraw/zinc/59/58/62/606595862.db2.gz WYQGIBDZZSNZRU-UHFFFAOYSA-N -1 3 383.359 0.799 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000821309775 606600079 /nfs/dbraw/zinc/60/00/79/606600079.db2.gz SQYSRZFDIRUTHV-UHFFFAOYSA-N -1 3 398.471 0.791 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@@H](CO)c1ccccc1 ZINC000823206174 606602565 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CCC(CC)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820897560 606604711 /nfs/dbraw/zinc/60/47/11/606604711.db2.gz JTTMRHDRZWVWSN-UHFFFAOYSA-N -1 3 383.416 0.750 20 0 GCADHM CCC(CC)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820897560 606604712 /nfs/dbraw/zinc/60/47/12/606604712.db2.gz JTTMRHDRZWVWSN-UHFFFAOYSA-N -1 3 383.416 0.750 20 0 GCADHM CC[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820863587 606604721 /nfs/dbraw/zinc/60/47/21/606604721.db2.gz UMKJPVAKPAKOKC-VXGBXAGGSA-N -1 3 397.443 0.996 20 0 GCADHM CC[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820863587 606604722 /nfs/dbraw/zinc/60/47/22/606604722.db2.gz UMKJPVAKPAKOKC-VXGBXAGGSA-N -1 3 397.443 0.996 20 0 GCADHM C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820697979 606604745 /nfs/dbraw/zinc/60/47/45/606604745.db2.gz OPYYBXULPWZMJZ-BXUZGUMPSA-N -1 3 395.427 0.750 20 0 GCADHM C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820697979 606604746 /nfs/dbraw/zinc/60/47/46/606604746.db2.gz OPYYBXULPWZMJZ-BXUZGUMPSA-N -1 3 395.427 0.750 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CC1 ZINC000820316650 606604805 /nfs/dbraw/zinc/60/48/05/606604805.db2.gz WWAKJWVJLQZWBR-JTQLQIEISA-N -1 3 381.400 0.360 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CC1 ZINC000820316650 606604807 /nfs/dbraw/zinc/60/48/07/606604807.db2.gz WWAKJWVJLQZWBR-JTQLQIEISA-N -1 3 381.400 0.360 20 0 GCADHM C[C@@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820703749 606604919 /nfs/dbraw/zinc/60/49/19/606604919.db2.gz JYYCYVIECCSXRO-GFCCVEGCSA-N -1 3 395.427 0.846 20 0 GCADHM C[C@@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820703749 606604920 /nfs/dbraw/zinc/60/49/20/606604920.db2.gz JYYCYVIECCSXRO-GFCCVEGCSA-N -1 3 395.427 0.846 20 0 GCADHM CCCN(C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CC1 ZINC000821082751 606605107 /nfs/dbraw/zinc/60/51/07/606605107.db2.gz NDIVMGYCUCSTNU-UHFFFAOYSA-N -1 3 395.427 0.846 20 0 GCADHM CCCN(C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CC1 ZINC000821082751 606605109 /nfs/dbraw/zinc/60/51/09/606605109.db2.gz NDIVMGYCUCSTNU-UHFFFAOYSA-N -1 3 395.427 0.846 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)N[C@H]1CCSC1 ZINC000823382645 606605970 /nfs/dbraw/zinc/60/59/70/606605970.db2.gz BQSSOVOZXPFESB-LBPRGKRZSA-N -1 3 399.440 0.067 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)N[C@H]1CCSC1 ZINC000823382645 606605972 /nfs/dbraw/zinc/60/59/72/606605972.db2.gz BQSSOVOZXPFESB-LBPRGKRZSA-N -1 3 399.440 0.067 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000823359123 606606009 /nfs/dbraw/zinc/60/60/09/606606009.db2.gz IMVSZFQMEKTXQF-UHFFFAOYSA-N -1 3 393.407 0.860 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000823359123 606606011 /nfs/dbraw/zinc/60/60/11/606606011.db2.gz IMVSZFQMEKTXQF-UHFFFAOYSA-N -1 3 393.407 0.860 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C ZINC000820313675 606607927 /nfs/dbraw/zinc/60/79/27/606607927.db2.gz FMFRMMUKAQSJAX-QMMMGPOBSA-N -1 3 377.380 0.364 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C ZINC000820313675 606607929 /nfs/dbraw/zinc/60/79/29/606607929.db2.gz FMFRMMUKAQSJAX-QMMMGPOBSA-N -1 3 377.380 0.364 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C ZINC000820314028 606608070 /nfs/dbraw/zinc/60/80/70/606608070.db2.gz GVLAXRLUZGSFFY-QMMMGPOBSA-N -1 3 393.835 0.878 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C ZINC000820314028 606608072 /nfs/dbraw/zinc/60/80/72/606608072.db2.gz GVLAXRLUZGSFFY-QMMMGPOBSA-N -1 3 393.835 0.878 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N[C@@H]1CCCNC1=O ZINC000823303248 606608674 /nfs/dbraw/zinc/60/86/74/606608674.db2.gz DYLQJDVUQVXQHJ-SNVBAGLBSA-N -1 3 397.317 0.219 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N[C@@H]1CCCNC1=O ZINC000823303248 606608676 /nfs/dbraw/zinc/60/86/76/606608676.db2.gz DYLQJDVUQVXQHJ-SNVBAGLBSA-N -1 3 397.317 0.219 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CC[C@@H](CO)C1 ZINC000823302941 606608829 /nfs/dbraw/zinc/60/88/29/606608829.db2.gz BBPPNFQNUNYFIF-MRVPVSSYSA-N -1 3 384.318 0.665 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CC[C@@H](CO)C1 ZINC000823302941 606608830 /nfs/dbraw/zinc/60/88/30/606608830.db2.gz BBPPNFQNUNYFIF-MRVPVSSYSA-N -1 3 384.318 0.665 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821508874 606609580 /nfs/dbraw/zinc/60/95/80/606609580.db2.gz BYNWBTMNIYEAKX-LBPRGKRZSA-N -1 3 381.400 0.090 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821508874 606609582 /nfs/dbraw/zinc/60/95/82/606609582.db2.gz BYNWBTMNIYEAKX-LBPRGKRZSA-N -1 3 381.400 0.090 20 0 GCADHM C[C@H](CCO)NC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000820249111 606611074 /nfs/dbraw/zinc/61/10/74/606611074.db2.gz RDLIZYUICSCHBR-LLVKDONJSA-N -1 3 397.395 0.880 20 0 GCADHM C[C@H](CCO)NC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000820249345 606611216 /nfs/dbraw/zinc/61/12/16/606611216.db2.gz UZBYIDIKYXBPEY-LLVKDONJSA-N -1 3 397.395 0.880 20 0 GCADHM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820226614 606612309 /nfs/dbraw/zinc/61/23/09/606612309.db2.gz WEIRGUSVMYGVAN-LURJTMIESA-N -1 3 385.306 0.204 20 0 GCADHM C[C@@H](CC(N)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820226614 606612310 /nfs/dbraw/zinc/61/23/10/606612310.db2.gz WEIRGUSVMYGVAN-LURJTMIESA-N -1 3 385.306 0.204 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CO)c1ccccc1C ZINC000821757764 606613194 /nfs/dbraw/zinc/61/31/94/606613194.db2.gz ZEQKLXBPKJTLJK-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CO)c1ccccc1C ZINC000821757764 606613196 /nfs/dbraw/zinc/61/31/96/606613196.db2.gz ZEQKLXBPKJTLJK-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CO)c1ccccc1C ZINC000821757762 606613400 /nfs/dbraw/zinc/61/34/00/606613400.db2.gz ZEQKLXBPKJTLJK-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CO)c1ccccc1C ZINC000821757762 606613401 /nfs/dbraw/zinc/61/34/01/606613401.db2.gz ZEQKLXBPKJTLJK-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM CO[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1(C)C ZINC000821677646 606614215 /nfs/dbraw/zinc/61/42/15/606614215.db2.gz BCYILOUVBCZCAL-ZIAGYGMSSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1(C)C ZINC000821677646 606614217 /nfs/dbraw/zinc/61/42/17/606614217.db2.gz BCYILOUVBCZCAL-ZIAGYGMSSA-N -1 3 386.460 0.907 20 0 GCADHM CC[C@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000820882601 606614446 /nfs/dbraw/zinc/61/44/46/606614446.db2.gz VAEJUWVQNSVUDW-ZYHUDNBSSA-N -1 3 376.417 0.727 20 0 GCADHM CC[C@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000820882601 606614447 /nfs/dbraw/zinc/61/44/47/606614447.db2.gz VAEJUWVQNSVUDW-ZYHUDNBSSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)ccc1O[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000821394958 606614762 /nfs/dbraw/zinc/61/47/62/606614762.db2.gz QTZFQCFLDPAJQJ-GFCCVEGCSA-N -1 3 388.428 0.723 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)ccc1O[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000821394958 606614764 /nfs/dbraw/zinc/61/47/64/606614764.db2.gz QTZFQCFLDPAJQJ-GFCCVEGCSA-N -1 3 388.428 0.723 20 0 GCADHM CO[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1(C)C ZINC000821678842 606614925 /nfs/dbraw/zinc/61/49/25/606614925.db2.gz SWBULWLNXMBCLD-KGLIPLIRSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1(C)C ZINC000821678842 606614926 /nfs/dbraw/zinc/61/49/26/606614926.db2.gz SWBULWLNXMBCLD-KGLIPLIRSA-N -1 3 386.460 0.907 20 0 GCADHM COC(=O)CCC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821660552 606617553 /nfs/dbraw/zinc/61/75/53/606617553.db2.gz VRNPCJXEQATBII-UHFFFAOYSA-N -1 3 386.412 0.997 20 0 GCADHM COC(=O)CCC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821660552 606617555 /nfs/dbraw/zinc/61/75/55/606617555.db2.gz VRNPCJXEQATBII-UHFFFAOYSA-N -1 3 386.412 0.997 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000820766905 606618055 /nfs/dbraw/zinc/61/80/55/606618055.db2.gz DZEWFXHMWCNUMV-ZYHUDNBSSA-N -1 3 395.514 0.823 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000820766905 606618057 /nfs/dbraw/zinc/61/80/57/606618057.db2.gz DZEWFXHMWCNUMV-ZYHUDNBSSA-N -1 3 395.514 0.823 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)o1 ZINC000821937641 606620750 /nfs/dbraw/zinc/62/07/50/606620750.db2.gz OQKTZSGVZVHOTA-UHFFFAOYSA-N -1 3 380.361 0.900 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)o1 ZINC000821937641 606620752 /nfs/dbraw/zinc/62/07/52/606620752.db2.gz OQKTZSGVZVHOTA-UHFFFAOYSA-N -1 3 380.361 0.900 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823049906 606623728 /nfs/dbraw/zinc/62/37/28/606623728.db2.gz MCCISFYGPODEFQ-UKRRQHHQSA-N -1 3 391.453 0.814 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823049906 606623730 /nfs/dbraw/zinc/62/37/30/606623730.db2.gz MCCISFYGPODEFQ-UKRRQHHQSA-N -1 3 391.453 0.814 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823043600 606623949 /nfs/dbraw/zinc/62/39/49/606623949.db2.gz BVNCSFZFZCLRAZ-HUUCEWRRSA-N -1 3 391.453 0.814 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823043600 606623950 /nfs/dbraw/zinc/62/39/50/606623950.db2.gz BVNCSFZFZCLRAZ-HUUCEWRRSA-N -1 3 391.453 0.814 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000749983029 606625877 /nfs/dbraw/zinc/62/58/77/606625877.db2.gz KGZSKEOYWWVIIH-OAHLLOKOSA-N -1 3 385.409 0.213 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000749983029 606625879 /nfs/dbraw/zinc/62/58/79/606625879.db2.gz KGZSKEOYWWVIIH-OAHLLOKOSA-N -1 3 385.409 0.213 20 0 GCADHM COC(=O)C[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)C1CC1 ZINC000821657520 606625871 /nfs/dbraw/zinc/62/58/71/606625871.db2.gz PGEWSGSKHGGOIS-LBPRGKRZSA-N -1 3 375.385 0.712 20 0 GCADHM COC(=O)C[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C1CC1 ZINC000821657520 606625873 /nfs/dbraw/zinc/62/58/73/606625873.db2.gz PGEWSGSKHGGOIS-LBPRGKRZSA-N -1 3 375.385 0.712 20 0 GCADHM C[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820323888 606626226 /nfs/dbraw/zinc/62/62/26/606626226.db2.gz ZTVKEIZCFURPDN-MGPLVRAMSA-N -1 3 399.436 0.774 20 0 GCADHM C[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820323888 606626229 /nfs/dbraw/zinc/62/62/29/606626229.db2.gz ZTVKEIZCFURPDN-MGPLVRAMSA-N -1 3 399.436 0.774 20 0 GCADHM CS(=O)(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000821932798 606626712 /nfs/dbraw/zinc/62/67/12/606626712.db2.gz RIIAPPAYEOFERX-UHFFFAOYSA-N -1 3 399.864 0.036 20 0 GCADHM CS(=O)(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000821932798 606626714 /nfs/dbraw/zinc/62/67/14/606626714.db2.gz RIIAPPAYEOFERX-UHFFFAOYSA-N -1 3 399.864 0.036 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000823359424 606631859 /nfs/dbraw/zinc/63/18/59/606631859.db2.gz OCDZQPSAPGSNAF-UHFFFAOYSA-N -1 3 391.457 0.945 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000823359424 606631862 /nfs/dbraw/zinc/63/18/62/606631862.db2.gz OCDZQPSAPGSNAF-UHFFFAOYSA-N -1 3 391.457 0.945 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820288974 606634898 /nfs/dbraw/zinc/63/48/98/606634898.db2.gz ZMHAYUHWNZHDBX-UWVGGRQHSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820288974 606634899 /nfs/dbraw/zinc/63/48/99/606634899.db2.gz ZMHAYUHWNZHDBX-UWVGGRQHSA-N -1 3 387.849 0.992 20 0 GCADHM C[S@@](=O)CCNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821941712 606639694 /nfs/dbraw/zinc/63/96/94/606639694.db2.gz IGQXDGDKMALBLY-HXUWFJFHSA-N -1 3 394.276 0.286 20 0 GCADHM C[S@@](=O)CCNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821941712 606639695 /nfs/dbraw/zinc/63/96/95/606639695.db2.gz IGQXDGDKMALBLY-HXUWFJFHSA-N -1 3 394.276 0.286 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000822441396 606641042 /nfs/dbraw/zinc/64/10/42/606641042.db2.gz YQHUWWIQQHGEPD-OAHLLOKOSA-N -1 3 397.443 0.974 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000822441396 606641043 /nfs/dbraw/zinc/64/10/43/606641043.db2.gz YQHUWWIQQHGEPD-OAHLLOKOSA-N -1 3 397.443 0.974 20 0 GCADHM CC(C)(CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)N1CCS(=O)CC1 ZINC000819980597 606642620 /nfs/dbraw/zinc/64/26/20/606642620.db2.gz DRFVBTHOHNWNKV-UHFFFAOYSA-N -1 3 395.464 0.970 20 0 GCADHM CC(C)(CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)N1CCS(=O)CC1 ZINC000819980597 606642621 /nfs/dbraw/zinc/64/26/21/606642621.db2.gz DRFVBTHOHNWNKV-UHFFFAOYSA-N -1 3 395.464 0.970 20 0 GCADHM COc1ccc(OC)c([C@@H](C)NC(=O)Cn2nc(C)c(-c3nnn[n-]3)c2N)c1 ZINC000821838824 606654527 /nfs/dbraw/zinc/65/45/27/606654527.db2.gz PXAPYBYTQWDKGS-SECBINFHSA-N -1 3 386.416 0.848 20 0 GCADHM COc1ccc(OC)c([C@@H](C)NC(=O)Cn2nc(C)c(-c3nn[n-]n3)c2N)c1 ZINC000821838824 606654528 /nfs/dbraw/zinc/65/45/28/606654528.db2.gz PXAPYBYTQWDKGS-SECBINFHSA-N -1 3 386.416 0.848 20 0 GCADHM CC(C)(CO)CCCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000819984396 606657952 /nfs/dbraw/zinc/65/79/52/606657952.db2.gz UYXRBTPRKWQWGL-UHFFFAOYSA-N -1 3 388.476 0.892 20 0 GCADHM CC(C)(CO)CCCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000819984396 606657953 /nfs/dbraw/zinc/65/79/53/606657953.db2.gz UYXRBTPRKWQWGL-UHFFFAOYSA-N -1 3 388.476 0.892 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC[C@@H](O)c1ccccc1 ZINC000823005140 606658661 /nfs/dbraw/zinc/65/86/61/606658661.db2.gz DEDULXGHXBPBBO-MRXNPFEDSA-N -1 3 380.408 0.836 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC[C@@H](O)c1ccccc1 ZINC000823005140 606658662 /nfs/dbraw/zinc/65/86/62/606658662.db2.gz DEDULXGHXBPBBO-MRXNPFEDSA-N -1 3 380.408 0.836 20 0 GCADHM CC(C)CN(C(=O)CNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000820081500 606659756 /nfs/dbraw/zinc/65/97/56/606659756.db2.gz JBQNJYQSZGKVAM-HNNXBMFYSA-N -1 3 392.485 0.950 20 0 GCADHM CC(C)CN(C(=O)CNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000820081500 606659757 /nfs/dbraw/zinc/65/97/57/606659757.db2.gz JBQNJYQSZGKVAM-HNNXBMFYSA-N -1 3 392.485 0.950 20 0 GCADHM CCNC(=O)CN1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821286900 606666878 /nfs/dbraw/zinc/66/68/78/606666878.db2.gz ZJBYWQNBYXDDGN-UHFFFAOYSA-N -1 3 379.371 0.039 20 0 GCADHM CCNC(=O)CN1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821286900 606666879 /nfs/dbraw/zinc/66/68/79/606666879.db2.gz ZJBYWQNBYXDDGN-UHFFFAOYSA-N -1 3 379.371 0.039 20 0 GCADHM CC(=O)N1CCN(CCNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000819796300 606669086 /nfs/dbraw/zinc/66/90/86/606669086.db2.gz DLEUMGARNVYFIG-UHFFFAOYSA-N -1 3 379.371 0.039 20 0 GCADHM CC(=O)N1CCN(CCNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000819796300 606669087 /nfs/dbraw/zinc/66/90/87/606669087.db2.gz DLEUMGARNVYFIG-UHFFFAOYSA-N -1 3 379.371 0.039 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000823454091 606673903 /nfs/dbraw/zinc/67/39/03/606673903.db2.gz LQCBXCXTYQKGIY-SNVBAGLBSA-N -1 3 377.355 0.775 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000823454091 606673904 /nfs/dbraw/zinc/67/39/04/606673904.db2.gz LQCBXCXTYQKGIY-SNVBAGLBSA-N -1 3 377.355 0.775 20 0 GCADHM Cc1cc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[nH]n1 ZINC000822200119 606677048 /nfs/dbraw/zinc/67/70/48/606677048.db2.gz VJVWRQWYCZSYFQ-AWEZNQCLSA-N -1 3 398.452 0.981 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000823460877 606683863 /nfs/dbraw/zinc/68/38/63/606683863.db2.gz YLRFAWJLSQWUTN-NSHDSACASA-N -1 3 375.339 0.883 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCO[C@H](Cn2cccn2)C1 ZINC000823460877 606683864 /nfs/dbraw/zinc/68/38/64/606683864.db2.gz YLRFAWJLSQWUTN-NSHDSACASA-N -1 3 375.339 0.883 20 0 GCADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)N1CCOCC1 ZINC000820920503 606686512 /nfs/dbraw/zinc/68/65/12/606686512.db2.gz QIRRSJNEXZPTKI-GFCCVEGCSA-N -1 3 380.355 0.512 20 0 GCADHM CC[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)N1CCOCC1 ZINC000820920503 606686513 /nfs/dbraw/zinc/68/65/13/606686513.db2.gz QIRRSJNEXZPTKI-GFCCVEGCSA-N -1 3 380.355 0.512 20 0 GCADHM COC(=O)C[C@H](C)N1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821656946 606688397 /nfs/dbraw/zinc/68/83/97/606688397.db2.gz CYDINVZNYZBHFX-JTQLQIEISA-N -1 3 394.382 0.854 20 0 GCADHM COC(=O)C[C@H](C)N1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821656946 606688398 /nfs/dbraw/zinc/68/83/98/606688398.db2.gz CYDINVZNYZBHFX-JTQLQIEISA-N -1 3 394.382 0.854 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819858179 606691641 /nfs/dbraw/zinc/69/16/41/606691641.db2.gz ZWWFIXRIUWSAOF-OAHLLOKOSA-N -1 3 397.483 0.564 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819858179 606691642 /nfs/dbraw/zinc/69/16/42/606691642.db2.gz ZWWFIXRIUWSAOF-OAHLLOKOSA-N -1 3 397.483 0.564 20 0 GCADHM CCOC(=O)COCCN1C(=O)N[C@@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821330554 606693352 /nfs/dbraw/zinc/69/33/52/606693352.db2.gz NGOYHHUVBOAGQU-KRWDZBQOSA-N -1 3 388.384 0.213 20 0 GCADHM CCOC(=O)COCCN1C(=O)N[C@@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821330554 606693353 /nfs/dbraw/zinc/69/33/53/606693353.db2.gz NGOYHHUVBOAGQU-KRWDZBQOSA-N -1 3 388.384 0.213 20 0 GCADHM Cc1oc(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1S(N)(=O)=O ZINC000822540482 606693634 /nfs/dbraw/zinc/69/36/34/606693634.db2.gz BMZVCTFATHGSJW-MRVPVSSYSA-N -1 3 376.398 0.907 20 0 GCADHM Cc1oc(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1S(N)(=O)=O ZINC000822540482 606693635 /nfs/dbraw/zinc/69/36/35/606693635.db2.gz BMZVCTFATHGSJW-MRVPVSSYSA-N -1 3 376.398 0.907 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821509947 606695102 /nfs/dbraw/zinc/69/51/02/606695102.db2.gz QKMWXBFQKRPYNP-CYBMUJFWSA-N -1 3 395.427 0.402 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821509947 606695103 /nfs/dbraw/zinc/69/51/03/606695103.db2.gz QKMWXBFQKRPYNP-CYBMUJFWSA-N -1 3 395.427 0.402 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](CO)c1ccccc1 ZINC000823005180 606698742 /nfs/dbraw/zinc/69/87/42/606698742.db2.gz FXMSHYHNAVLOSH-MRXNPFEDSA-N -1 3 380.408 0.489 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](CO)c1ccccc1 ZINC000823005180 606698744 /nfs/dbraw/zinc/69/87/44/606698744.db2.gz FXMSHYHNAVLOSH-MRXNPFEDSA-N -1 3 380.408 0.489 20 0 GCADHM C[S@@](=O)CCN1CCN(CCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821941883 606708194 /nfs/dbraw/zinc/70/81/94/606708194.db2.gz KJPNETFTBDYRAE-AREMUKBSSA-N -1 3 378.502 0.632 20 0 GCADHM NC(=O)[C@@H](NCc1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850229 606712839 /nfs/dbraw/zinc/71/28/39/606712839.db2.gz BUBFIWYDSQAARK-INIZCTEOSA-N -1 3 375.396 0.764 20 0 GCADHM NC(=O)[C@@H](NCc1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850229 606712841 /nfs/dbraw/zinc/71/28/41/606712841.db2.gz BUBFIWYDSQAARK-INIZCTEOSA-N -1 3 375.396 0.764 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000823519764 606721466 /nfs/dbraw/zinc/72/14/66/606721466.db2.gz IJEFUXJYTUNHJM-CQSZACIVSA-N -1 3 397.439 0.570 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000823519764 606721467 /nfs/dbraw/zinc/72/14/67/606721467.db2.gz IJEFUXJYTUNHJM-CQSZACIVSA-N -1 3 397.439 0.570 20 0 GCADHM O=S(=O)(CC[C@@H]1CCCO1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823557869 606731788 /nfs/dbraw/zinc/73/17/88/606731788.db2.gz UJJPHNVMBOKSEI-AWEZNQCLSA-N -1 3 393.473 0.283 20 0 GCADHM O=S(=O)(CC[C@@H]1CCCO1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823557869 606731790 /nfs/dbraw/zinc/73/17/90/606731790.db2.gz UJJPHNVMBOKSEI-AWEZNQCLSA-N -1 3 393.473 0.283 20 0 GCADHM CC(C)OC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820142286 606733926 /nfs/dbraw/zinc/73/39/26/606733926.db2.gz JFBBHSAFEWNNHO-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM CC(C)OC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820142286 606733928 /nfs/dbraw/zinc/73/39/28/606733928.db2.gz JFBBHSAFEWNNHO-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM O=C(NC[C@H](O)c1ccco1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823166170 606734929 /nfs/dbraw/zinc/73/49/29/606734929.db2.gz GAEFNYHGMCIPQT-NSHDSACASA-N -1 3 376.760 0.901 20 0 GCADHM O=C(NC[C@H](O)c1ccco1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823166170 606734930 /nfs/dbraw/zinc/73/49/30/606734930.db2.gz GAEFNYHGMCIPQT-NSHDSACASA-N -1 3 376.760 0.901 20 0 GCADHM CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821164500 606736318 /nfs/dbraw/zinc/73/63/18/606736318.db2.gz FGISBLMFVIFBOU-UHFFFAOYSA-N -1 3 379.808 0.395 20 0 GCADHM CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821164500 606736320 /nfs/dbraw/zinc/73/63/20/606736320.db2.gz FGISBLMFVIFBOU-UHFFFAOYSA-N -1 3 379.808 0.395 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCC2(CC1)OCCO2 ZINC000823289066 606736677 /nfs/dbraw/zinc/73/66/77/606736677.db2.gz ADDUCKATULAGSF-UHFFFAOYSA-N -1 3 392.803 0.824 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCC2(CC1)OCCO2 ZINC000823289066 606736678 /nfs/dbraw/zinc/73/66/78/606736678.db2.gz ADDUCKATULAGSF-UHFFFAOYSA-N -1 3 392.803 0.824 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820967033 606737895 /nfs/dbraw/zinc/73/78/95/606737895.db2.gz KRNVJTNYLSCWRK-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820967033 606737897 /nfs/dbraw/zinc/73/78/97/606737897.db2.gz KRNVJTNYLSCWRK-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nnn[n-]3)C[C@H]21 ZINC000821628992 606738057 /nfs/dbraw/zinc/73/80/57/606738057.db2.gz WANMMJVFTPZIMO-VXGBXAGGSA-N -1 3 384.849 0.224 20 0 GCADHM CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821920718 606738341 /nfs/dbraw/zinc/73/83/41/606738341.db2.gz XKGCTUUAPNPQNV-UHFFFAOYSA-N -1 3 389.434 0.204 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCC[C@H](OCCO)C1 ZINC000823289657 606740181 /nfs/dbraw/zinc/74/01/81/606740181.db2.gz LYQBRCGUKKLRTM-NSHDSACASA-N -1 3 394.819 0.459 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCC[C@H](OCCO)C1 ZINC000823289657 606740182 /nfs/dbraw/zinc/74/01/82/606740182.db2.gz LYQBRCGUKKLRTM-NSHDSACASA-N -1 3 394.819 0.459 20 0 GCADHM Cc1noc(CCNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)n1 ZINC000822528258 606740239 /nfs/dbraw/zinc/74/02/39/606740239.db2.gz YZJYMASCPJVYGS-UHFFFAOYSA-N -1 3 376.764 0.509 20 0 GCADHM Cc1noc(CCNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)n1 ZINC000822528258 606740240 /nfs/dbraw/zinc/74/02/40/606740240.db2.gz YZJYMASCPJVYGS-UHFFFAOYSA-N -1 3 376.764 0.509 20 0 GCADHM 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ZINC000822859921 606742132 /nfs/dbraw/zinc/74/21/32/606742132.db2.gz KDAGEQAZLADBHT-PSASIEDQSA-N -1 3 391.819 0.619 20 0 GCADHM O=S(=O)(NCc1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823578383 606742202 /nfs/dbraw/zinc/74/22/02/606742202.db2.gz NPVJBSQHEGHHIQ-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM O=S(=O)(NCc1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823578383 606742204 /nfs/dbraw/zinc/74/22/04/606742204.db2.gz NPVJBSQHEGHHIQ-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820288428 606742979 /nfs/dbraw/zinc/74/29/79/606742979.db2.gz VEDPJIUILHYQGF-MWLCHTKSSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820288428 606742982 /nfs/dbraw/zinc/74/29/82/606742982.db2.gz VEDPJIUILHYQGF-MWLCHTKSSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820308811 606743000 /nfs/dbraw/zinc/74/30/00/606743000.db2.gz 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CS(=O)(=O)[C@H]1CSCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821920401 606794965 /nfs/dbraw/zinc/79/49/65/606794965.db2.gz QSYLZUZIHZRMFC-ZDUSSCGKSA-N -1 3 383.455 0.192 20 0 GCADHM O=C(C1CCCC1)N1CC[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000822916954 606795647 /nfs/dbraw/zinc/79/56/47/606795647.db2.gz JQENFPIIGGCYSS-CQSZACIVSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(C1CCCC1)N1CC[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000822916954 606795648 /nfs/dbraw/zinc/79/56/48/606795648.db2.gz JQENFPIIGGCYSS-CQSZACIVSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823190649 606795759 /nfs/dbraw/zinc/79/57/59/606795759.db2.gz BAXDNFYOBJZNSS-OAHLLOKOSA-N -1 3 376.417 0.740 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000820838616 606800785 /nfs/dbraw/zinc/80/07/85/606800785.db2.gz YAZYGYVNIREPPF-CYBMUJFWSA-N -1 3 399.459 0.104 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000820838616 606800787 /nfs/dbraw/zinc/80/07/87/606800787.db2.gz YAZYGYVNIREPPF-CYBMUJFWSA-N -1 3 399.459 0.104 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000821932606 606807985 /nfs/dbraw/zinc/80/79/85/606807985.db2.gz NYMPDQZUXMWODC-FZMZJTMJSA-N -1 3 377.474 0.880 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000821932606 606807986 /nfs/dbraw/zinc/80/79/86/606807986.db2.gz NYMPDQZUXMWODC-FZMZJTMJSA-N -1 3 377.474 0.880 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000821932603 606808199 /nfs/dbraw/zinc/80/81/99/606808199.db2.gz NYMPDQZUXMWODC-BXUZGUMPSA-N -1 3 377.474 0.880 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000821932603 606808201 /nfs/dbraw/zinc/80/82/01/606808201.db2.gz NYMPDQZUXMWODC-BXUZGUMPSA-N -1 3 377.474 0.880 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000822222843 606809623 /nfs/dbraw/zinc/80/96/23/606809623.db2.gz VQXAJFWIFHDGKG-LLVKDONJSA-N -1 3 399.498 0.761 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000822222843 606809625 /nfs/dbraw/zinc/80/96/25/606809625.db2.gz VQXAJFWIFHDGKG-LLVKDONJSA-N -1 3 399.498 0.761 20 0 GCADHM O=C(N[C@@H]1CC[S@@](=O)C1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823155237 606812080 /nfs/dbraw/zinc/81/20/80/606812080.db2.gz PQOAQWNCYHWCLL-PFUSGODGSA-N -1 3 390.469 0.941 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000822899885 606814076 /nfs/dbraw/zinc/81/40/76/606814076.db2.gz XFHKCIRJPZRCAU-SFHVURJKSA-N -1 3 380.412 0.887 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000822899885 606814079 /nfs/dbraw/zinc/81/40/79/606814079.db2.gz XFHKCIRJPZRCAU-SFHVURJKSA-N -1 3 380.412 0.887 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000821608841 606814548 /nfs/dbraw/zinc/81/45/48/606814548.db2.gz XAQQAKHLGYMMLK-UHFFFAOYSA-N -1 3 390.354 0.925 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000821608841 606814549 /nfs/dbraw/zinc/81/45/49/606814549.db2.gz XAQQAKHLGYMMLK-UHFFFAOYSA-N -1 3 390.354 0.925 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000823254434 606814717 /nfs/dbraw/zinc/81/47/17/606814717.db2.gz UHLYSNRUQCNXKS-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000823254434 606814719 /nfs/dbraw/zinc/81/47/19/606814719.db2.gz UHLYSNRUQCNXKS-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCCS(=O)(=O)CC1 ZINC000823289704 606816115 /nfs/dbraw/zinc/81/61/15/606816115.db2.gz MMTWNOASBRHQSZ-UHFFFAOYSA-N -1 3 398.832 0.106 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCCS(=O)(=O)CC1 ZINC000823289704 606816117 /nfs/dbraw/zinc/81/61/17/606816117.db2.gz MMTWNOASBRHQSZ-UHFFFAOYSA-N -1 3 398.832 0.106 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N1CCCS(=O)(=O)CC1 ZINC000823333168 606816696 /nfs/dbraw/zinc/81/66/96/606816696.db2.gz ZGSIJSBTAWQRCJ-UHFFFAOYSA-N -1 3 398.832 0.106 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N1CCCS(=O)(=O)CC1 ZINC000823333168 606816698 /nfs/dbraw/zinc/81/66/98/606816698.db2.gz ZGSIJSBTAWQRCJ-UHFFFAOYSA-N -1 3 398.832 0.106 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000823383785 606816828 /nfs/dbraw/zinc/81/68/28/606816828.db2.gz ZXKPAPWQFJTKLG-KBPBESRZSA-N -1 3 393.411 0.456 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000823383785 606816829 /nfs/dbraw/zinc/81/68/29/606816829.db2.gz ZXKPAPWQFJTKLG-KBPBESRZSA-N -1 3 393.411 0.456 20 0 GCADHM COc1ccccc1N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)cn2C)C1=O ZINC000821898758 606817261 /nfs/dbraw/zinc/81/72/61/606817261.db2.gz RLIFFNOIFGOLFM-LBPRGKRZSA-N -1 3 381.396 0.749 20 0 GCADHM COc1ccccc1N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)cn2C)C1=O ZINC000821898758 606817264 /nfs/dbraw/zinc/81/72/64/606817264.db2.gz RLIFFNOIFGOLFM-LBPRGKRZSA-N -1 3 381.396 0.749 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000821701590 606817501 /nfs/dbraw/zinc/81/75/01/606817501.db2.gz UUKUOPJYXIOEHK-UHFFFAOYSA-N -1 3 399.367 0.395 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1cnc(OC)c(C(N)=O)c1 ZINC000821701590 606817503 /nfs/dbraw/zinc/81/75/03/606817503.db2.gz UUKUOPJYXIOEHK-UHFFFAOYSA-N -1 3 399.367 0.395 20 0 GCADHM O=C(NC[C@@]1(CCO)CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823166391 606817788 /nfs/dbraw/zinc/81/77/88/606817788.db2.gz KEPOUQZJFOGKHG-MRXNPFEDSA-N -1 3 394.819 0.364 20 0 GCADHM O=C(NC[C@@]1(CCO)CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823166391 606817790 /nfs/dbraw/zinc/81/77/90/606817790.db2.gz KEPOUQZJFOGKHG-MRXNPFEDSA-N -1 3 394.819 0.364 20 0 GCADHM CCCc1cc(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)[nH]n1 ZINC000821138881 606822700 /nfs/dbraw/zinc/82/27/00/606822700.db2.gz JCZAESHIZHBPCG-LLVKDONJSA-N -1 3 382.432 0.683 20 0 GCADHM O=C(Nc1ccsc1)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823376195 606822866 /nfs/dbraw/zinc/82/28/66/606822866.db2.gz ZGKOEJZWVMSLOF-UHFFFAOYSA-N -1 3 384.425 0.611 20 0 GCADHM O=C(Nc1ccsc1)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823376195 606822867 /nfs/dbraw/zinc/82/28/67/606822867.db2.gz ZGKOEJZWVMSLOF-UHFFFAOYSA-N -1 3 384.425 0.611 20 0 GCADHM O=C(NCCc1ccncc1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823224180 606824240 /nfs/dbraw/zinc/82/42/40/606824240.db2.gz SGMFQPVDRIQBIW-UHFFFAOYSA-N -1 3 379.428 0.731 20 0 GCADHM O=C(NCCc1ccncc1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823224180 606824241 /nfs/dbraw/zinc/82/42/41/606824241.db2.gz SGMFQPVDRIQBIW-UHFFFAOYSA-N -1 3 379.428 0.731 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000820151885 606825943 /nfs/dbraw/zinc/82/59/43/606825943.db2.gz PZIZCLQSUSLATH-NSHDSACASA-N -1 3 375.433 0.659 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000820151885 606825945 /nfs/dbraw/zinc/82/59/45/606825945.db2.gz PZIZCLQSUSLATH-NSHDSACASA-N -1 3 375.433 0.659 20 0 GCADHM Cc1cc(=O)c(C(=O)O[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c[nH]1 ZINC000822160647 606830088 /nfs/dbraw/zinc/83/00/88/606830088.db2.gz JKCJGPPZLJMWJJ-GFCCVEGCSA-N -1 3 386.393 0.887 20 0 GCADHM Cc1cc(=O)c(C(=O)O[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c[nH]1 ZINC000822160647 606830089 /nfs/dbraw/zinc/83/00/89/606830089.db2.gz JKCJGPPZLJMWJJ-GFCCVEGCSA-N -1 3 386.393 0.887 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000821286352 606831232 /nfs/dbraw/zinc/83/12/32/606831232.db2.gz QGQKVSXETDJNEM-UHFFFAOYSA-N -1 3 379.446 0.211 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000821286352 606831233 /nfs/dbraw/zinc/83/12/33/606831233.db2.gz QGQKVSXETDJNEM-UHFFFAOYSA-N -1 3 379.446 0.211 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2cn[nH]c21 ZINC000820789205 606831430 /nfs/dbraw/zinc/83/14/30/606831430.db2.gz XTVVUTNKCJZRBD-LLVKDONJSA-N -1 3 390.411 0.884 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2cn[nH]c21 ZINC000820789205 606831432 /nfs/dbraw/zinc/83/14/32/606831432.db2.gz XTVVUTNKCJZRBD-LLVKDONJSA-N -1 3 390.411 0.884 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cccc2cn[nH]c21 ZINC000820789206 606831795 /nfs/dbraw/zinc/83/17/95/606831795.db2.gz XTVVUTNKCJZRBD-NSHDSACASA-N -1 3 390.411 0.884 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cccc2cn[nH]c21 ZINC000820789206 606831796 /nfs/dbraw/zinc/83/17/96/606831796.db2.gz XTVVUTNKCJZRBD-NSHDSACASA-N -1 3 390.411 0.884 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821932015 606835380 /nfs/dbraw/zinc/83/53/80/606835380.db2.gz INGTWKZPVHAESY-ZANVPECISA-N -1 3 397.436 0.845 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821932015 606835381 /nfs/dbraw/zinc/83/53/81/606835381.db2.gz INGTWKZPVHAESY-ZANVPECISA-N -1 3 397.436 0.845 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821931377 606836027 /nfs/dbraw/zinc/83/60/27/606836027.db2.gz CSCRMOCHAAMTOU-CABZTGNLSA-N -1 3 397.436 0.845 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821931377 606836028 /nfs/dbraw/zinc/83/60/28/606836028.db2.gz CSCRMOCHAAMTOU-CABZTGNLSA-N -1 3 397.436 0.845 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820736403 606838624 /nfs/dbraw/zinc/83/86/24/606838624.db2.gz ZBFUBRGMFRFLEU-XHDPSFHLSA-N -1 3 397.439 0.568 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820736403 606838626 /nfs/dbraw/zinc/83/86/26/606838626.db2.gz ZBFUBRGMFRFLEU-XHDPSFHLSA-N -1 3 397.439 0.568 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820734344 606838903 /nfs/dbraw/zinc/83/89/03/606838903.db2.gz LWSAGLICYMQTBQ-ABAIWWIYSA-N -1 3 397.439 0.568 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820734344 606838905 /nfs/dbraw/zinc/83/89/05/606838905.db2.gz LWSAGLICYMQTBQ-ABAIWWIYSA-N -1 3 397.439 0.568 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821637455 606839686 /nfs/dbraw/zinc/83/96/86/606839686.db2.gz GQYJRBDSEWKPAK-UHFFFAOYSA-N -1 3 380.792 0.774 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821637455 606839688 /nfs/dbraw/zinc/83/96/88/606839688.db2.gz GQYJRBDSEWKPAK-UHFFFAOYSA-N -1 3 380.792 0.774 20 0 GCADHM CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821325307 606840250 /nfs/dbraw/zinc/84/02/50/606840250.db2.gz DHZKLKRQGNFZPC-JTQLQIEISA-N -1 3 383.405 0.970 20 0 GCADHM CC(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820011387 606841490 /nfs/dbraw/zinc/84/14/90/606841490.db2.gz KUNGQUQECLUJIR-UHFFFAOYSA-N -1 3 396.448 0.931 20 0 GCADHM O=S(=O)(NCc1nnc2n1CCCCC2)c1ccc(F)cc1-c1nnn[n-]1 ZINC000823583544 606841499 /nfs/dbraw/zinc/84/14/99/606841499.db2.gz SWWZOTIRQSBFPI-UHFFFAOYSA-N -1 3 392.420 0.802 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000819883301 606843261 /nfs/dbraw/zinc/84/32/61/606843261.db2.gz GULSUOARPGPLJJ-RKDXNWHRSA-N -1 3 391.450 0.448 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000821654102 606843973 /nfs/dbraw/zinc/84/39/73/606843973.db2.gz UDLBSYHPJXJFPN-GFCCVEGCSA-N -1 3 395.416 0.970 20 0 GCADHM O=C1CC2(CN1)CCN(S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000823525458 606845675 /nfs/dbraw/zinc/84/56/75/606845675.db2.gz NVOPNSZTRMAQLD-UHFFFAOYSA-N -1 3 380.405 0.297 20 0 GCADHM Cn1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)CC2)cn1 ZINC000822684791 606845684 /nfs/dbraw/zinc/84/56/84/606845684.db2.gz IQQYQJVZSGBKEP-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM COC[C@](C)(NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)OC ZINC000821680369 606846829 /nfs/dbraw/zinc/84/68/29/606846829.db2.gz HHJFLTWHGYPSIL-ZDUSSCGKSA-N -1 3 389.821 0.377 20 0 GCADHM COC[C@](C)(NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)OC ZINC000821680369 606846830 /nfs/dbraw/zinc/84/68/30/606846830.db2.gz HHJFLTWHGYPSIL-ZDUSSCGKSA-N -1 3 389.821 0.377 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823566165 606846978 /nfs/dbraw/zinc/84/69/78/606846978.db2.gz AFQCCDLBSBJOHP-LSDHHAIUSA-N -1 3 379.442 0.576 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823566165 606846980 /nfs/dbraw/zinc/84/69/80/606846980.db2.gz AFQCCDLBSBJOHP-LSDHHAIUSA-N -1 3 379.442 0.576 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000822146801 606847013 /nfs/dbraw/zinc/84/70/13/606847013.db2.gz ZTMLTAYISHOUES-KGLIPLIRSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000822146801 606847015 /nfs/dbraw/zinc/84/70/15/606847015.db2.gz ZTMLTAYISHOUES-KGLIPLIRSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000822144442 606849219 /nfs/dbraw/zinc/84/92/19/606849219.db2.gz MFULAVXXNWLSMV-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000822144442 606849220 /nfs/dbraw/zinc/84/92/20/606849220.db2.gz MFULAVXXNWLSMV-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM O=C(CN1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1)N1CCCCC1 ZINC000822996536 606849278 /nfs/dbraw/zinc/84/92/78/606849278.db2.gz GZYCCYFZALYKAJ-SFHVURJKSA-N -1 3 399.499 0.530 20 0 GCADHM CNC(=O)c1nn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(=O)c2ccccc21 ZINC000821636658 606850431 /nfs/dbraw/zinc/85/04/31/606850431.db2.gz XXTQDBHOKKLXRF-OAHLLOKOSA-N -1 3 391.391 0.670 20 0 GCADHM CNC(=O)c1nn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(=O)c2ccccc21 ZINC000821636658 606850433 /nfs/dbraw/zinc/85/04/33/606850433.db2.gz XXTQDBHOKKLXRF-OAHLLOKOSA-N -1 3 391.391 0.670 20 0 GCADHM NC(=O)c1nn(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(=O)c2ccccc21 ZINC000822890037 606851557 /nfs/dbraw/zinc/85/15/57/606851557.db2.gz KZOHKRBDTIZFHP-AWEZNQCLSA-N -1 3 377.364 0.409 20 0 GCADHM NC(=O)c1nn(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(=O)c2ccccc21 ZINC000822890037 606851559 /nfs/dbraw/zinc/85/15/59/606851559.db2.gz KZOHKRBDTIZFHP-AWEZNQCLSA-N -1 3 377.364 0.409 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@H](O)COC(C)(C)C ZINC000820788752 606853018 /nfs/dbraw/zinc/85/30/18/606853018.db2.gz NNOWFKKRQSDEJM-OLZOCXBDSA-N -1 3 376.465 0.343 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822519780 606861445 /nfs/dbraw/zinc/86/14/45/606861445.db2.gz LRHLFQUYAOIAAF-MLGOLLRUSA-N -1 3 384.444 0.970 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CCN2C1=O ZINC000821242410 606862392 /nfs/dbraw/zinc/86/23/92/606862392.db2.gz SQAJXPNSLFSMIC-CYBMUJFWSA-N -1 3 384.400 0.045 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CCN2C1=O ZINC000821242410 606862393 /nfs/dbraw/zinc/86/23/93/606862393.db2.gz SQAJXPNSLFSMIC-CYBMUJFWSA-N -1 3 384.400 0.045 20 0 GCADHM COCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696585 606863099 /nfs/dbraw/zinc/86/30/99/606863099.db2.gz IQWXIFPIGJUWFH-CJNGLKHVSA-N -1 3 398.427 0.423 20 0 GCADHM COCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696585 606863101 /nfs/dbraw/zinc/86/31/01/606863101.db2.gz IQWXIFPIGJUWFH-CJNGLKHVSA-N -1 3 398.427 0.423 20 0 GCADHM CC(C)n1nnnc1CS(=O)(=O)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820220377 606863411 /nfs/dbraw/zinc/86/34/11/606863411.db2.gz SMTUPZDQVMXJKM-LBPRGKRZSA-N -1 3 378.418 0.083 20 0 GCADHM CC(C)n1nnnc1CS(=O)(=O)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820220377 606863412 /nfs/dbraw/zinc/86/34/12/606863412.db2.gz SMTUPZDQVMXJKM-LBPRGKRZSA-N -1 3 378.418 0.083 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822860627 606870254 /nfs/dbraw/zinc/87/02/54/606870254.db2.gz ZTHUJVRYJXSLAJ-CABCVRRESA-N -1 3 387.444 0.979 20 0 GCADHM C[C@@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2sccc2-c2nnn[n-]2)C1=O ZINC000820636557 606872156 /nfs/dbraw/zinc/87/21/56/606872156.db2.gz UFMKUWGZBBYCKC-INIZCTEOSA-N -1 3 398.408 0.729 20 0 GCADHM C[C@@]1(c2cccnc2)NC(=O)N(CC(=O)Nc2sccc2-c2nn[n-]n2)C1=O ZINC000820636557 606872158 /nfs/dbraw/zinc/87/21/58/606872158.db2.gz UFMKUWGZBBYCKC-INIZCTEOSA-N -1 3 398.408 0.729 20 0 GCADHM O=S(=O)(Oc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000823614990 606872584 /nfs/dbraw/zinc/87/25/84/606872584.db2.gz WOKJZKLUCIVZJH-UHFFFAOYSA-N -1 3 392.418 0.964 20 0 GCADHM O=S(=O)(Oc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000823614990 606872585 /nfs/dbraw/zinc/87/25/85/606872585.db2.gz WOKJZKLUCIVZJH-UHFFFAOYSA-N -1 3 392.418 0.964 20 0 GCADHM C[C@@H](CN1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)CS(C)(=O)=O ZINC000820260239 606878762 /nfs/dbraw/zinc/87/87/62/606878762.db2.gz GKSHWDGKXINHAS-AWEZNQCLSA-N -1 3 378.502 0.665 20 0 GCADHM C[C@@H](CN1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)CS(C)(=O)=O ZINC000820260239 606878763 /nfs/dbraw/zinc/87/87/63/606878763.db2.gz GKSHWDGKXINHAS-AWEZNQCLSA-N -1 3 378.502 0.665 20 0 GCADHM COC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821670122 606882894 /nfs/dbraw/zinc/88/28/94/606882894.db2.gz OELZKJYXQGGEHC-UHFFFAOYSA-N -1 3 380.364 0.908 20 0 GCADHM COC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821670122 606882895 /nfs/dbraw/zinc/88/28/95/606882895.db2.gz OELZKJYXQGGEHC-UHFFFAOYSA-N -1 3 380.364 0.908 20 0 GCADHM COC(=O)C1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821655805 606883046 /nfs/dbraw/zinc/88/30/46/606883046.db2.gz RTEYFTJGXVZXRL-UHFFFAOYSA-N -1 3 387.368 0.719 20 0 GCADHM COC(=O)C1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821655805 606883047 /nfs/dbraw/zinc/88/30/47/606883047.db2.gz RTEYFTJGXVZXRL-UHFFFAOYSA-N -1 3 387.368 0.719 20 0 GCADHM COCCCN(CCOC)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821687621 606886710 /nfs/dbraw/zinc/88/67/10/606886710.db2.gz HUBLHDGWDSZMRC-UHFFFAOYSA-N -1 3 391.400 0.819 20 0 GCADHM COCCCN(CCOC)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821687621 606886712 /nfs/dbraw/zinc/88/67/12/606886712.db2.gz HUBLHDGWDSZMRC-UHFFFAOYSA-N -1 3 391.400 0.819 20 0 GCADHM CN(CCN1CCOCC1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821602644 606888619 /nfs/dbraw/zinc/88/86/19/606888619.db2.gz MHLLTASUSYLGCR-UHFFFAOYSA-N -1 3 388.400 0.098 20 0 GCADHM CN(CCN1CCOCC1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821602644 606888621 /nfs/dbraw/zinc/88/86/21/606888621.db2.gz MHLLTASUSYLGCR-UHFFFAOYSA-N -1 3 388.400 0.098 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCN(CC(F)F)CC1 ZINC000823595196 606889894 /nfs/dbraw/zinc/88/98/94/606889894.db2.gz ZDBOIQWCPUSTJK-UHFFFAOYSA-N -1 3 394.354 0.716 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCN(CC(F)F)CC1 ZINC000823595196 606889896 /nfs/dbraw/zinc/88/98/96/606889896.db2.gz ZDBOIQWCPUSTJK-UHFFFAOYSA-N -1 3 394.354 0.716 20 0 GCADHM O=C1CC2(CN1)CCN(S(=O)(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CC2 ZINC000823525258 606894883 /nfs/dbraw/zinc/89/48/83/606894883.db2.gz JGVQDYFNKGHPBZ-UHFFFAOYSA-N -1 3 398.395 0.436 20 0 GCADHM O=C1CC2(CN1)CCN(S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000823525258 606894886 /nfs/dbraw/zinc/89/48/86/606894886.db2.gz JGVQDYFNKGHPBZ-UHFFFAOYSA-N -1 3 398.395 0.436 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CC[C@@H](N2CC=CC2)C1 ZINC000823594302 606895043 /nfs/dbraw/zinc/89/50/43/606895043.db2.gz GDRIUAVFXVOGCM-LLVKDONJSA-N -1 3 382.396 0.780 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CC[C@@H](N2CC=CC2)C1 ZINC000823594302 606895045 /nfs/dbraw/zinc/89/50/45/606895045.db2.gz GDRIUAVFXVOGCM-LLVKDONJSA-N -1 3 382.396 0.780 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000822224133 606898107 /nfs/dbraw/zinc/89/81/07/606898107.db2.gz XFYMZFCMXCIMBD-STQMWFEESA-N -1 3 378.458 0.888 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000822224133 606898109 /nfs/dbraw/zinc/89/81/09/606898109.db2.gz XFYMZFCMXCIMBD-STQMWFEESA-N -1 3 378.458 0.888 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822860424 606898205 /nfs/dbraw/zinc/89/82/05/606898205.db2.gz UNGRVPLZJSDAPS-UONOGXRCSA-N -1 3 378.458 0.720 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822860424 606898207 /nfs/dbraw/zinc/89/82/07/606898207.db2.gz UNGRVPLZJSDAPS-UONOGXRCSA-N -1 3 378.458 0.720 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822860425 606898388 /nfs/dbraw/zinc/89/83/88/606898388.db2.gz UNGRVPLZJSDAPS-ZIAGYGMSSA-N -1 3 378.458 0.720 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822860425 606898389 /nfs/dbraw/zinc/89/83/89/606898389.db2.gz UNGRVPLZJSDAPS-ZIAGYGMSSA-N -1 3 378.458 0.720 20 0 GCADHM O=C([C@@H]1CCCc2n[nH]cc21)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822918133 606903406 /nfs/dbraw/zinc/90/34/06/606903406.db2.gz ZRAXMMZIRZINKA-CYBMUJFWSA-N -1 3 379.428 0.754 20 0 GCADHM O=C(COC(=O)[C@H]1CCCc2n[nH]cc21)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823018693 606903443 /nfs/dbraw/zinc/90/34/43/606903443.db2.gz WPZAZDBBPFULKG-ZDUSSCGKSA-N -1 3 381.396 0.869 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000820152228 606905228 /nfs/dbraw/zinc/90/52/28/606905228.db2.gz UTLPKRMGUDKNMQ-LBPRGKRZSA-N -1 3 386.416 0.895 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000820152228 606905230 /nfs/dbraw/zinc/90/52/30/606905230.db2.gz UTLPKRMGUDKNMQ-LBPRGKRZSA-N -1 3 386.416 0.895 20 0 GCADHM CN(C[C@H]1CN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1)c1cccnn1 ZINC000821598089 606905326 /nfs/dbraw/zinc/90/53/26/606905326.db2.gz QKLCMFDUZPHLQK-IRXDYDNUSA-N -1 3 396.455 0.527 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CCN2C1=O ZINC000821241890 606905925 /nfs/dbraw/zinc/90/59/25/606905925.db2.gz PTXONLDFGHPTIE-ZDUSSCGKSA-N -1 3 384.400 0.675 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CCN2C1=O ZINC000821241890 606905926 /nfs/dbraw/zinc/90/59/26/606905926.db2.gz PTXONLDFGHPTIE-ZDUSSCGKSA-N -1 3 384.400 0.675 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819856709 606910257 /nfs/dbraw/zinc/91/02/57/606910257.db2.gz LCQWNKBNRNPSPQ-MAUKXSAKSA-N -1 3 399.499 0.529 20 0 GCADHM O=S1(=O)CCN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000823614769 606912540 /nfs/dbraw/zinc/91/25/40/606912540.db2.gz SJVMMMCEHOMXPV-PMPSAXMXSA-N -1 3 377.470 0.942 20 0 GCADHM O=S1(=O)CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000823614769 606912542 /nfs/dbraw/zinc/91/25/42/606912542.db2.gz SJVMMMCEHOMXPV-PMPSAXMXSA-N -1 3 377.470 0.942 20 0 GCADHM CC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC000819796435 606913060 /nfs/dbraw/zinc/91/30/60/606913060.db2.gz IKIYCZPOLFNIDY-LBPRGKRZSA-N -1 3 378.458 0.193 20 0 GCADHM CC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000819796435 606913061 /nfs/dbraw/zinc/91/30/61/606913061.db2.gz IKIYCZPOLFNIDY-LBPRGKRZSA-N -1 3 378.458 0.193 20 0 GCADHM O=C(CN1CCC(N2CCCCC2=O)CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822991433 606918056 /nfs/dbraw/zinc/91/80/56/606918056.db2.gz CRMHMBYUCOXFIM-UHFFFAOYSA-N -1 3 397.483 0.960 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000822491774 606921416 /nfs/dbraw/zinc/92/14/16/606921416.db2.gz FSFLKHUUXNNLHW-UHFFFAOYSA-N -1 3 397.443 0.340 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822491774 606921419 /nfs/dbraw/zinc/92/14/19/606921419.db2.gz FSFLKHUUXNNLHW-UHFFFAOYSA-N -1 3 397.443 0.340 20 0 GCADHM Cc1nn(CC(F)(F)F)cc1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000822501026 606923327 /nfs/dbraw/zinc/92/33/27/606923327.db2.gz ROBMCSPCSHHNOG-UHFFFAOYSA-N -1 3 385.310 0.570 20 0 GCADHM Cc1nn(CC(F)(F)F)cc1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000822501026 606923329 /nfs/dbraw/zinc/92/33/29/606923329.db2.gz ROBMCSPCSHHNOG-UHFFFAOYSA-N -1 3 385.310 0.570 20 0 GCADHM COCCCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821687671 606925433 /nfs/dbraw/zinc/92/54/33/606925433.db2.gz JRIDBDGVJRIHRT-CVEARBPZSA-N -1 3 395.485 0.426 20 0 GCADHM CCOC(=O)CN1CCCN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)CC1 ZINC000821330760 606929013 /nfs/dbraw/zinc/92/90/13/606929013.db2.gz QSSSXFDYGIPDOH-UHFFFAOYSA-N -1 3 388.476 0.857 20 0 GCADHM CCOC(=O)CN1CCCN(c2nnc(CC)c(CC)c2-c2nn[n-]n2)CC1 ZINC000821330760 606929015 /nfs/dbraw/zinc/92/90/15/606929015.db2.gz QSSSXFDYGIPDOH-UHFFFAOYSA-N -1 3 388.476 0.857 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823202185 606930199 /nfs/dbraw/zinc/93/01/99/606930199.db2.gz SNOURHIDRCJMIO-CQSZACIVSA-N -1 3 395.427 0.932 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823202185 606930200 /nfs/dbraw/zinc/93/02/00/606930200.db2.gz SNOURHIDRCJMIO-CQSZACIVSA-N -1 3 395.427 0.932 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822491532 606935030 /nfs/dbraw/zinc/93/50/30/606935030.db2.gz CIHOIBZPKPEFGG-UHFFFAOYSA-N -1 3 397.443 0.340 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822491532 606935032 /nfs/dbraw/zinc/93/50/32/606935032.db2.gz CIHOIBZPKPEFGG-UHFFFAOYSA-N -1 3 397.443 0.340 20 0 GCADHM O=C(CCN1CCN2C(=O)OC[C@@H]2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822969112 606935717 /nfs/dbraw/zinc/93/57/17/606935717.db2.gz HWISSNIHPKLBER-NSHDSACASA-N -1 3 391.819 0.985 20 0 GCADHM O=C(CCN1CCN2C(=O)OC[C@@H]2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822969112 606935718 /nfs/dbraw/zinc/93/57/18/606935718.db2.gz HWISSNIHPKLBER-NSHDSACASA-N -1 3 391.819 0.985 20 0 GCADHM O=C1OC[C@H]2CN([C@H]3CCN(c4sccc4-c4nnn[n-]4)C3=O)CCN12 ZINC000823504190 606936127 /nfs/dbraw/zinc/93/61/27/606936127.db2.gz NCKMHLHBAPIUDV-KOLCDFICSA-N -1 3 375.414 0.170 20 0 GCADHM O=C1OC[C@H]2CN([C@H]3CCN(c4sccc4-c4nn[n-]n4)C3=O)CCN12 ZINC000823504190 606936128 /nfs/dbraw/zinc/93/61/28/606936128.db2.gz NCKMHLHBAPIUDV-KOLCDFICSA-N -1 3 375.414 0.170 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](Oc2ccccn2)C1 ZINC000823160465 606939361 /nfs/dbraw/zinc/93/93/61/606939361.db2.gz BQRMAHSOMKJMPV-HNNXBMFYSA-N -1 3 393.407 0.671 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](Oc2ccccn2)C1 ZINC000823160465 606939362 /nfs/dbraw/zinc/93/93/62/606939362.db2.gz BQRMAHSOMKJMPV-HNNXBMFYSA-N -1 3 393.407 0.671 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@]23NC(=O)NC3=O)c(-c2nnn[n-]2)c1CC ZINC000821536164 606940698 /nfs/dbraw/zinc/94/06/98/606940698.db2.gz SCWZFROFVFPKAZ-XLFHBGCDSA-N -1 3 385.432 0.572 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@]23NC(=O)NC3=O)c(-c2nn[n-]n2)c1CC ZINC000821536164 606940699 /nfs/dbraw/zinc/94/06/99/606940699.db2.gz SCWZFROFVFPKAZ-XLFHBGCDSA-N -1 3 385.432 0.572 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000822144793 606943378 /nfs/dbraw/zinc/94/33/78/606943378.db2.gz NVBPRMFJDUSMOU-CHWSQXEVSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000822144793 606943380 /nfs/dbraw/zinc/94/33/80/606943380.db2.gz NVBPRMFJDUSMOU-CHWSQXEVSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000822222504 606943410 /nfs/dbraw/zinc/94/34/10/606943410.db2.gz JNVBINVQFAMURJ-CHWSQXEVSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000822222504 606943411 /nfs/dbraw/zinc/94/34/11/606943411.db2.gz JNVBINVQFAMURJ-CHWSQXEVSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000822144795 606943569 /nfs/dbraw/zinc/94/35/69/606943569.db2.gz NVBPRMFJDUSMOU-QWHCGFSZSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000822144795 606943571 /nfs/dbraw/zinc/94/35/71/606943571.db2.gz NVBPRMFJDUSMOU-QWHCGFSZSA-N -1 3 376.442 0.607 20 0 GCADHM CC1(C)C(=O)NC(=O)N1CC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820576996 606949454 /nfs/dbraw/zinc/94/94/54/606949454.db2.gz GNAKWQKFWPPWAW-UHFFFAOYSA-N -1 3 388.384 0.509 20 0 GCADHM CC1(C)C(=O)NC(=O)N1CC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820576996 606949455 /nfs/dbraw/zinc/94/94/55/606949455.db2.gz GNAKWQKFWPPWAW-UHFFFAOYSA-N -1 3 388.384 0.509 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823303502 606954823 /nfs/dbraw/zinc/95/48/23/606954823.db2.gz KNRHPGNXSPTTAM-VIFPVBQESA-N -1 3 391.775 0.122 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823303502 606954825 /nfs/dbraw/zinc/95/48/25/606954825.db2.gz KNRHPGNXSPTTAM-VIFPVBQESA-N -1 3 391.775 0.122 20 0 GCADHM CN(C(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574481 606961557 /nfs/dbraw/zinc/96/15/57/606961557.db2.gz IJVYIMQJEXUGRX-UHFFFAOYSA-N -1 3 375.776 0.194 20 0 GCADHM CN(C(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574481 606961558 /nfs/dbraw/zinc/96/15/58/606961558.db2.gz IJVYIMQJEXUGRX-UHFFFAOYSA-N -1 3 375.776 0.194 20 0 GCADHM C[C@@H](CO)NC(=O)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821994725 606965397 /nfs/dbraw/zinc/96/53/97/606965397.db2.gz HQJCROKCNOWGHI-LBPRGKRZSA-N -1 3 396.407 0.881 20 0 GCADHM C[C@@H](CO)NC(=O)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821994725 606965398 /nfs/dbraw/zinc/96/53/98/606965398.db2.gz HQJCROKCNOWGHI-LBPRGKRZSA-N -1 3 396.407 0.881 20 0 GCADHM O=C(NCc1ccc(F)cn1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823252970 606968784 /nfs/dbraw/zinc/96/87/84/606968784.db2.gz BXMYEATWWXHZME-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1ccc(F)cn1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823252970 606968786 /nfs/dbraw/zinc/96/87/86/606968786.db2.gz BXMYEATWWXHZME-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@H](C)C1 ZINC000820704993 606977105 /nfs/dbraw/zinc/97/71/05/606977105.db2.gz RDVPFITXWCABIT-RYUDHWBXSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](C)C1 ZINC000820704993 606977108 /nfs/dbraw/zinc/97/71/08/606977108.db2.gz RDVPFITXWCABIT-RYUDHWBXSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](C)C1 ZINC000820705220 606977405 /nfs/dbraw/zinc/97/74/05/606977405.db2.gz SCSSHYJQDCHKCF-RYUDHWBXSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](C)C1 ZINC000820705220 606977406 /nfs/dbraw/zinc/97/74/06/606977406.db2.gz SCSSHYJQDCHKCF-RYUDHWBXSA-N -1 3 378.458 0.792 20 0 GCADHM CCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821378930 606979165 /nfs/dbraw/zinc/97/91/65/606979165.db2.gz XOSOFEZFLVUHCW-NSHDSACASA-N -1 3 382.446 0.076 20 0 GCADHM CCOCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821378930 606979167 /nfs/dbraw/zinc/97/91/67/606979167.db2.gz XOSOFEZFLVUHCW-NSHDSACASA-N -1 3 382.446 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cccs1 ZINC000820450201 606979929 /nfs/dbraw/zinc/97/99/29/606979929.db2.gz HWPDOAGGRRUHJN-SNVBAGLBSA-N -1 3 392.466 0.911 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cccs1 ZINC000820450201 606979931 /nfs/dbraw/zinc/97/99/31/606979931.db2.gz HWPDOAGGRRUHJN-SNVBAGLBSA-N -1 3 392.466 0.911 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000821700701 606982547 /nfs/dbraw/zinc/98/25/47/606982547.db2.gz VHKFTDZVCIOMNP-CHWSQXEVSA-N -1 3 386.412 0.524 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000821700701 606982548 /nfs/dbraw/zinc/98/25/48/606982548.db2.gz VHKFTDZVCIOMNP-CHWSQXEVSA-N -1 3 386.412 0.524 20 0 GCADHM COCCc1noc(CN(C)[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821694253 606983777 /nfs/dbraw/zinc/98/37/77/606983777.db2.gz DWLCCJKICHELQG-LLVKDONJSA-N -1 3 386.416 0.898 20 0 GCADHM COCCc1noc(CN(C)[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821694253 606983778 /nfs/dbraw/zinc/98/37/78/606983778.db2.gz DWLCCJKICHELQG-LLVKDONJSA-N -1 3 386.416 0.898 20 0 GCADHM COCCc1noc(CN(C)C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000821694187 606983958 /nfs/dbraw/zinc/98/39/58/606983958.db2.gz BJIZZYKPEMISNZ-UHFFFAOYSA-N -1 3 390.379 0.919 20 0 GCADHM COCCc1noc(CN(C)C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000821694187 606983960 /nfs/dbraw/zinc/98/39/60/606983960.db2.gz BJIZZYKPEMISNZ-UHFFFAOYSA-N -1 3 390.379 0.919 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]2CCCC[C@@H]2N1 ZINC000823535780 606984444 /nfs/dbraw/zinc/98/44/44/606984444.db2.gz HQIUARDUQKFICR-GJZGRUSLSA-N -1 3 390.469 0.383 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]2CCCC[C@@H]2N1 ZINC000823535780 606984445 /nfs/dbraw/zinc/98/44/45/606984445.db2.gz HQIUARDUQKFICR-GJZGRUSLSA-N -1 3 390.469 0.383 20 0 GCADHM O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823160666 606989238 /nfs/dbraw/zinc/98/92/38/606989238.db2.gz DIOGMDOMQZIQSP-CQSZACIVSA-N -1 3 394.443 0.374 20 0 GCADHM O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823161306 606989725 /nfs/dbraw/zinc/98/97/25/606989725.db2.gz MGGPBONXXYJRCP-AWEZNQCLSA-N -1 3 393.455 0.979 20 0 GCADHM CC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000820989386 606990487 /nfs/dbraw/zinc/99/04/87/606990487.db2.gz RKOPJXHSUJLAOF-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000820989386 606990489 /nfs/dbraw/zinc/99/04/89/606990489.db2.gz RKOPJXHSUJLAOF-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000820987973 606990681 /nfs/dbraw/zinc/99/06/81/606990681.db2.gz CNFJLEHWGDVBCF-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000820987973 606990682 /nfs/dbraw/zinc/99/06/82/606990682.db2.gz CNFJLEHWGDVBCF-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000819857348 606991793 /nfs/dbraw/zinc/99/17/93/606991793.db2.gz RMZGOOUCUYVIIJ-GFCCVEGCSA-N -1 3 393.469 0.807 20 0 GCADHM C[C@@H](C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000819857349 606991869 /nfs/dbraw/zinc/99/18/69/606991869.db2.gz RMZGOOUCUYVIIJ-LBPRGKRZSA-N -1 3 393.469 0.807 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccc(F)c(-c4nnn[n-]4)c3)cnc21 ZINC000822591131 606991985 /nfs/dbraw/zinc/99/19/85/606991985.db2.gz ROVAFNJWDCTXMO-UHFFFAOYSA-N -1 3 397.326 0.710 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccc(F)c(-c4nn[n-]n4)c3)cnc21 ZINC000822591131 606991986 /nfs/dbraw/zinc/99/19/86/606991986.db2.gz ROVAFNJWDCTXMO-UHFFFAOYSA-N -1 3 397.326 0.710 20 0 GCADHM Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000822242202 606992325 /nfs/dbraw/zinc/99/23/25/606992325.db2.gz DOOKKVHSKGVEPN-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822242202 606992326 /nfs/dbraw/zinc/99/23/26/606992326.db2.gz DOOKKVHSKGVEPN-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000820734772 606993429 /nfs/dbraw/zinc/99/34/29/606993429.db2.gz OMOATNXHDRKRLF-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000820734772 606993431 /nfs/dbraw/zinc/99/34/31/606993431.db2.gz OMOATNXHDRKRLF-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000820734357 606993500 /nfs/dbraw/zinc/99/35/00/606993500.db2.gz LXSCFUBYZNHCLQ-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000820734357 606993502 /nfs/dbraw/zinc/99/35/02/606993502.db2.gz LXSCFUBYZNHCLQ-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM Cn1cc(C=CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(=O)n(C)c1=O ZINC000822674489 606993699 /nfs/dbraw/zinc/99/36/99/606993699.db2.gz VKPJFVMXAWIVJK-XQRVVYSFSA-N -1 3 386.343 0.160 20 0 GCADHM Cn1cc(C=CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(=O)n(C)c1=O ZINC000822674489 606993700 /nfs/dbraw/zinc/99/37/00/606993700.db2.gz VKPJFVMXAWIVJK-XQRVVYSFSA-N -1 3 386.343 0.160 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccsc1 ZINC000820450079 606995067 /nfs/dbraw/zinc/99/50/67/606995067.db2.gz GRRFRUHNFHOMLG-JTQLQIEISA-N -1 3 392.466 0.911 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccsc1 ZINC000820450079 606995069 /nfs/dbraw/zinc/99/50/69/606995069.db2.gz GRRFRUHNFHOMLG-JTQLQIEISA-N -1 3 392.466 0.911 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCO1 ZINC000820437787 606995231 /nfs/dbraw/zinc/99/52/31/606995231.db2.gz CJBSJYUSLAQJBL-UHIISALHSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC000820437787 606995233 /nfs/dbraw/zinc/99/52/33/606995233.db2.gz CJBSJYUSLAQJBL-UHIISALHSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)n1cccn1 ZINC000819855802 606996021 /nfs/dbraw/zinc/99/60/21/606996021.db2.gz FQWPSCYEHALGFJ-NSHDSACASA-N -1 3 387.375 0.965 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)n1cccn1 ZINC000819855802 606996023 /nfs/dbraw/zinc/99/60/23/606996023.db2.gz FQWPSCYEHALGFJ-NSHDSACASA-N -1 3 387.375 0.965 20 0 GCADHM CC(C)S(=O)(=O)CCCOC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820178481 606997891 /nfs/dbraw/zinc/99/78/91/606997891.db2.gz RDCQHVDXPYVPBS-UHFFFAOYSA-N -1 3 395.441 0.353 20 0 GCADHM CC(C)S(=O)(=O)CCCOC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820178481 606997893 /nfs/dbraw/zinc/99/78/93/606997893.db2.gz RDCQHVDXPYVPBS-UHFFFAOYSA-N -1 3 395.441 0.353 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1(C)C ZINC000820438470 606999971 /nfs/dbraw/zinc/99/99/71/606999971.db2.gz QEKWCGVBUWMTEC-LLVKDONJSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1(C)C ZINC000820438470 606999973 /nfs/dbraw/zinc/99/99/73/606999973.db2.gz QEKWCGVBUWMTEC-LLVKDONJSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCCO1 ZINC000820449668 607001655 /nfs/dbraw/zinc/00/16/55/607001655.db2.gz ABXUEXFCLDDDAT-DGCLKSJQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCCO1 ZINC000820449668 607001656 /nfs/dbraw/zinc/00/16/56/607001656.db2.gz ABXUEXFCLDDDAT-DGCLKSJQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCCO1 ZINC000820449667 607001992 /nfs/dbraw/zinc/00/19/92/607001992.db2.gz ABXUEXFCLDDDAT-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCCO1 ZINC000820449667 607001994 /nfs/dbraw/zinc/00/19/94/607001994.db2.gz ABXUEXFCLDDDAT-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM Cn1c2ncn(CCSc3cccc(-c4nnn[n-]4)c3)c2c(=O)n(C)c1=O ZINC000822596183 607010346 /nfs/dbraw/zinc/01/03/46/607010346.db2.gz INKPQVUNKITPMN-UHFFFAOYSA-N -1 3 384.425 0.406 20 0 GCADHM Cn1c2ncn(CCSc3cccc(-c4nn[n-]n4)c3)c2c(=O)n(C)c1=O ZINC000822596183 607010348 /nfs/dbraw/zinc/01/03/48/607010348.db2.gz INKPQVUNKITPMN-UHFFFAOYSA-N -1 3 384.425 0.406 20 0 GCADHM Cc1noc(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822523005 607011492 /nfs/dbraw/zinc/01/14/92/607011492.db2.gz NSKFDCGZYVOJRS-VIFPVBQESA-N -1 3 391.413 0.777 20 0 GCADHM Cc1noc(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822523005 607011494 /nfs/dbraw/zinc/01/14/94/607011494.db2.gz NSKFDCGZYVOJRS-VIFPVBQESA-N -1 3 391.413 0.777 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cscn1 ZINC000820443882 607016459 /nfs/dbraw/zinc/01/64/59/607016459.db2.gz AJHFPUBDTXSSFI-VIFPVBQESA-N -1 3 393.454 0.306 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cscn1 ZINC000820443882 607016461 /nfs/dbraw/zinc/01/64/61/607016461.db2.gz AJHFPUBDTXSSFI-VIFPVBQESA-N -1 3 393.454 0.306 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc[nH]c1=O ZINC000820450001 607017289 /nfs/dbraw/zinc/01/72/89/607017289.db2.gz FWXKQBPXMSVNDO-VIFPVBQESA-N -1 3 389.397 0.273 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc[nH]c1=O ZINC000820450001 607017290 /nfs/dbraw/zinc/01/72/90/607017290.db2.gz FWXKQBPXMSVNDO-VIFPVBQESA-N -1 3 389.397 0.273 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000820438317 607019722 /nfs/dbraw/zinc/01/97/22/607019722.db2.gz MTZFQDDXQXKAIJ-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000820438317 607019724 /nfs/dbraw/zinc/01/97/24/607019724.db2.gz MTZFQDDXQXKAIJ-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@H](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821673410 607020411 /nfs/dbraw/zinc/02/04/11/607020411.db2.gz AMGWPQIUKFYXQI-GHMZBOCLSA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@H](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821673410 607020412 /nfs/dbraw/zinc/02/04/12/607020412.db2.gz AMGWPQIUKFYXQI-GHMZBOCLSA-N -1 3 382.446 0.075 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000821700315 607020437 /nfs/dbraw/zinc/02/04/37/607020437.db2.gz KKCFEIWBSWURDJ-AWEZNQCLSA-N -1 3 388.428 0.187 20 0 GCADHM COCC(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821680273 607021501 /nfs/dbraw/zinc/02/15/01/607021501.db2.gz FDRVPVXTMGSMTP-JTQLQIEISA-N -1 3 382.446 0.075 20 0 GCADHM COCC(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821680273 607021502 /nfs/dbraw/zinc/02/15/02/607021502.db2.gz FDRVPVXTMGSMTP-JTQLQIEISA-N -1 3 382.446 0.075 20 0 GCADHM Cc1ncc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822472158 607021742 /nfs/dbraw/zinc/02/17/42/607021742.db2.gz PWQYNRVZRQHYJE-SECBINFHSA-N -1 3 388.413 0.271 20 0 GCADHM Cc1ncc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822472158 607021744 /nfs/dbraw/zinc/02/17/44/607021744.db2.gz PWQYNRVZRQHYJE-SECBINFHSA-N -1 3 388.413 0.271 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC2(CC2)CC1 ZINC000820437615 607024058 /nfs/dbraw/zinc/02/40/58/607024058.db2.gz ARVLMPUCDFLFNY-GFCCVEGCSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC2(CC2)CC1 ZINC000820437615 607024059 /nfs/dbraw/zinc/02/40/59/607024059.db2.gz ARVLMPUCDFLFNY-GFCCVEGCSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)c1nccs1 ZINC000820445224 607024469 /nfs/dbraw/zinc/02/44/69/607024469.db2.gz OXTYVIOLTKMEPO-SECBINFHSA-N -1 3 393.454 0.653 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)c1nccs1 ZINC000820445224 607024470 /nfs/dbraw/zinc/02/44/70/607024470.db2.gz OXTYVIOLTKMEPO-SECBINFHSA-N -1 3 393.454 0.653 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC1(C)C ZINC000820443875 607026089 /nfs/dbraw/zinc/02/60/89/607026089.db2.gz AGPIAOMDBAEXOG-CMPLNLGQSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC1(C)C ZINC000820443875 607026091 /nfs/dbraw/zinc/02/60/91/607026091.db2.gz AGPIAOMDBAEXOG-CMPLNLGQSA-N -1 3 378.458 0.696 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000822895554 607032449 /nfs/dbraw/zinc/03/24/49/607032449.db2.gz STLYCIKQZAKBFA-BZNIZROVSA-N -1 3 378.458 0.646 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@]3(O)CCCC[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC000822895554 607032450 /nfs/dbraw/zinc/03/24/50/607032450.db2.gz STLYCIKQZAKBFA-BZNIZROVSA-N -1 3 378.458 0.646 20 0 GCADHM CC[C@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821001323 607036555 /nfs/dbraw/zinc/03/65/55/607036555.db2.gz PZCNHNMVQHUDNH-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821001323 607036556 /nfs/dbraw/zinc/03/65/56/607036556.db2.gz PZCNHNMVQHUDNH-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM Cn1c2nc(Cl)n(Cc3cc(F)ccc3-c3nnn[n-]3)c2c(=O)n(C)c1=O ZINC000822591888 607038277 /nfs/dbraw/zinc/03/82/77/607038277.db2.gz YSLQTXJIRSEWLS-UHFFFAOYSA-N -1 3 390.766 0.455 20 0 GCADHM Cn1c2nc(Cl)n(Cc3cc(F)ccc3-c3nn[n-]n3)c2c(=O)n(C)c1=O ZINC000822591888 607038282 /nfs/dbraw/zinc/03/82/82/607038282.db2.gz YSLQTXJIRSEWLS-UHFFFAOYSA-N -1 3 390.766 0.455 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000820736306 607039626 /nfs/dbraw/zinc/03/96/26/607039626.db2.gz YPOGMZOKIVUYOC-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820736306 607039627 /nfs/dbraw/zinc/03/96/27/607039627.db2.gz YPOGMZOKIVUYOC-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CC=CCC1 ZINC000820438715 607039741 /nfs/dbraw/zinc/03/97/41/607039741.db2.gz VLLOPXZMDQQVHG-DGCLKSJQSA-N -1 3 376.442 0.758 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC=CCC1 ZINC000820438715 607039743 /nfs/dbraw/zinc/03/97/43/607039743.db2.gz VLLOPXZMDQQVHG-DGCLKSJQSA-N -1 3 376.442 0.758 20 0 GCADHM CC[C@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820909587 607041897 /nfs/dbraw/zinc/04/18/97/607041897.db2.gz XVMGEAWBCAUYNT-ZYHUDNBSSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820909587 607041898 /nfs/dbraw/zinc/04/18/98/607041898.db2.gz XVMGEAWBCAUYNT-ZYHUDNBSSA-N -1 3 382.446 0.075 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H]2CCC[C@H]21 ZINC000820447033 607041985 /nfs/dbraw/zinc/04/19/85/607041985.db2.gz YEQIENQRUFGLID-ZKYQVNSYSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H]2CCC[C@H]21 ZINC000820447033 607041986 /nfs/dbraw/zinc/04/19/86/607041986.db2.gz YEQIENQRUFGLID-ZKYQVNSYSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ccon1 ZINC000820443925 607042426 /nfs/dbraw/zinc/04/24/26/607042426.db2.gz BHWAFUOAWRIDFO-JTQLQIEISA-N -1 3 391.413 0.180 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ccon1 ZINC000820443925 607042427 /nfs/dbraw/zinc/04/24/27/607042427.db2.gz BHWAFUOAWRIDFO-JTQLQIEISA-N -1 3 391.413 0.180 20 0 GCADHM CC(C)[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438633 607042706 /nfs/dbraw/zinc/04/27/06/607042706.db2.gz TYGZYKUBLDYICC-NWDGAFQWSA-N -1 3 380.474 0.942 20 0 GCADHM CC(C)[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438633 607042708 /nfs/dbraw/zinc/04/27/08/607042708.db2.gz TYGZYKUBLDYICC-NWDGAFQWSA-N -1 3 380.474 0.942 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000820473862 607043013 /nfs/dbraw/zinc/04/30/13/607043013.db2.gz MZGCDNQFDSOKBN-SDDRHHMPSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000820473862 607043015 /nfs/dbraw/zinc/04/30/15/607043015.db2.gz MZGCDNQFDSOKBN-SDDRHHMPSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000820650552 607043294 /nfs/dbraw/zinc/04/32/94/607043294.db2.gz VRRGLBBHIINHFK-GRYCIOLGSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000820650552 607043296 /nfs/dbraw/zinc/04/32/96/607043296.db2.gz VRRGLBBHIINHFK-GRYCIOLGSA-N -1 3 378.458 0.790 20 0 GCADHM Cc1nn(C)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822496395 607043732 /nfs/dbraw/zinc/04/37/32/607043732.db2.gz LJKXYXJOZSSCQD-JTQLQIEISA-N -1 3 390.429 0.214 20 0 GCADHM Cc1nn(C)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822496395 607043734 /nfs/dbraw/zinc/04/37/34/607043734.db2.gz LJKXYXJOZSSCQD-JTQLQIEISA-N -1 3 390.429 0.214 20 0 GCADHM COC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821683278 607044558 /nfs/dbraw/zinc/04/45/58/607044558.db2.gz ZYPDBGUSQCRPOC-SMDDNHRTSA-N -1 3 396.473 0.321 20 0 GCADHM COC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821683278 607044559 /nfs/dbraw/zinc/04/45/59/607044559.db2.gz ZYPDBGUSQCRPOC-SMDDNHRTSA-N -1 3 396.473 0.321 20 0 GCADHM COC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821682994 607044705 /nfs/dbraw/zinc/04/47/05/607044705.db2.gz SGURSGLYYHVWGZ-BXUZGUMPSA-N -1 3 396.473 0.321 20 0 GCADHM COC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821682994 607044707 /nfs/dbraw/zinc/04/47/07/607044707.db2.gz SGURSGLYYHVWGZ-BXUZGUMPSA-N -1 3 396.473 0.321 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000820445941 607046458 /nfs/dbraw/zinc/04/64/58/607046458.db2.gz RQQOFJMXRHPKAO-LEWSCRJBSA-N -1 3 390.469 0.648 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000820445941 607046460 /nfs/dbraw/zinc/04/64/60/607046460.db2.gz RQQOFJMXRHPKAO-LEWSCRJBSA-N -1 3 390.469 0.648 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000819991963 607047669 /nfs/dbraw/zinc/04/76/69/607047669.db2.gz NGBICHCEXKCLOK-OAHLLOKOSA-N -1 3 386.456 0.957 20 0 GCADHM CCC(O)(CC)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820924903 607048355 /nfs/dbraw/zinc/04/83/55/607048355.db2.gz BQHKBKXPMGPHOH-LLVKDONJSA-N -1 3 396.473 0.201 20 0 GCADHM CCC(O)(CC)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820924903 607048357 /nfs/dbraw/zinc/04/83/57/607048357.db2.gz BQHKBKXPMGPHOH-LLVKDONJSA-N -1 3 396.473 0.201 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C)(C)C1 ZINC000820438889 607049259 /nfs/dbraw/zinc/04/92/59/607049259.db2.gz YTPMKBMORHQYEG-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)(C)C1 ZINC000820438889 607049261 /nfs/dbraw/zinc/04/92/61/607049261.db2.gz YTPMKBMORHQYEG-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCn1cccc1 ZINC000820445220 607049340 /nfs/dbraw/zinc/04/93/40/607049340.db2.gz OTKZFZMQGKGMNN-GFCCVEGCSA-N -1 3 389.441 0.151 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCn1cccc1 ZINC000820445220 607049342 /nfs/dbraw/zinc/04/93/42/607049342.db2.gz OTKZFZMQGKGMNN-GFCCVEGCSA-N -1 3 389.441 0.151 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOC1CCC1 ZINC000820445198 607049493 /nfs/dbraw/zinc/04/94/93/607049493.db2.gz OLGPHZARVYDLOW-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOC1CCC1 ZINC000820445198 607049494 /nfs/dbraw/zinc/04/94/94/607049494.db2.gz OLGPHZARVYDLOW-NSHDSACASA-N -1 3 394.457 0.219 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438319 607050466 /nfs/dbraw/zinc/05/04/66/607050466.db2.gz MVYZNBRXIOEMCR-BZNIZROVSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438319 607050469 /nfs/dbraw/zinc/05/04/69/607050469.db2.gz MVYZNBRXIOEMCR-BZNIZROVSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438318 607050714 /nfs/dbraw/zinc/05/07/14/607050714.db2.gz MVYZNBRXIOEMCR-BDJLRTHQSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438318 607050716 /nfs/dbraw/zinc/05/07/16/607050716.db2.gz MVYZNBRXIOEMCR-BDJLRTHQSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H](O)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820932576 607051241 /nfs/dbraw/zinc/05/12/41/607051241.db2.gz OYTGCXWAHLABJF-AAEUAGOBSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@H](O)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820932576 607051244 /nfs/dbraw/zinc/05/12/44/607051244.db2.gz OYTGCXWAHLABJF-AAEUAGOBSA-N -1 3 396.473 0.201 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cccn1C ZINC000820450688 607051269 /nfs/dbraw/zinc/05/12/69/607051269.db2.gz OQLJTCMLZNFJJL-LLVKDONJSA-N -1 3 389.441 0.188 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cccn1C ZINC000820450688 607051270 /nfs/dbraw/zinc/05/12/70/607051270.db2.gz OQLJTCMLZNFJJL-LLVKDONJSA-N -1 3 389.441 0.188 20 0 GCADHM CSC(C)(C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821943555 607051557 /nfs/dbraw/zinc/05/15/57/607051557.db2.gz WIUKSAPZZRJPPK-JTQLQIEISA-N -1 3 398.514 0.791 20 0 GCADHM CSC(C)(C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821943555 607051559 /nfs/dbraw/zinc/05/15/59/607051559.db2.gz WIUKSAPZZRJPPK-JTQLQIEISA-N -1 3 398.514 0.791 20 0 GCADHM CCC[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821009412 607051699 /nfs/dbraw/zinc/05/16/99/607051699.db2.gz QYFYDJZGTPEYBK-BDJLRTHQSA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821009412 607051701 /nfs/dbraw/zinc/05/17/01/607051701.db2.gz QYFYDJZGTPEYBK-BDJLRTHQSA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821009413 607051851 /nfs/dbraw/zinc/05/18/51/607051851.db2.gz QYFYDJZGTPEYBK-BZNIZROVSA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821009413 607051853 /nfs/dbraw/zinc/05/18/53/607051853.db2.gz QYFYDJZGTPEYBK-BZNIZROVSA-N -1 3 396.473 0.201 20 0 GCADHM CCN(CC(C)(C)O)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821169754 607053010 /nfs/dbraw/zinc/05/30/10/607053010.db2.gz CRDMXRMFFRITGT-LLVKDONJSA-N -1 3 396.473 0.153 20 0 GCADHM CCN(CC(C)(C)O)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821169754 607053012 /nfs/dbraw/zinc/05/30/12/607053012.db2.gz CRDMXRMFFRITGT-LLVKDONJSA-N -1 3 396.473 0.153 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000820438396 607053862 /nfs/dbraw/zinc/05/38/62/607053862.db2.gz OQGJAUMDVQLZDB-GRYCIOLGSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000820438396 607053864 /nfs/dbraw/zinc/05/38/64/607053864.db2.gz OQGJAUMDVQLZDB-GRYCIOLGSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C[C@@H]1CCOC1 ZINC000820438782 607053868 /nfs/dbraw/zinc/05/38/68/607053868.db2.gz WQKDYDMFALIJDB-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@@H]1CCOC1 ZINC000820438782 607053870 /nfs/dbraw/zinc/05/38/70/607053870.db2.gz WQKDYDMFALIJDB-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H](C)[C@H]1C ZINC000820444354 607054175 /nfs/dbraw/zinc/05/41/75/607054175.db2.gz JCRIMQBSPMYXKY-SDDRHHMPSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H](C)[C@H]1C ZINC000820444354 607054177 /nfs/dbraw/zinc/05/41/77/607054177.db2.gz JCRIMQBSPMYXKY-SDDRHHMPSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCSC1 ZINC000820450626 607054512 /nfs/dbraw/zinc/05/45/12/607054512.db2.gz NSLRYSGUTITVIR-CMPLNLGQSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCSC1 ZINC000820450626 607054513 /nfs/dbraw/zinc/05/45/13/607054513.db2.gz NSLRYSGUTITVIR-CMPLNLGQSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C)CCC1 ZINC000820452079 607054540 /nfs/dbraw/zinc/05/45/40/607054540.db2.gz ZGROBTCOBNGJRM-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C)CCC1 ZINC000820452079 607054541 /nfs/dbraw/zinc/05/45/41/607054541.db2.gz ZGROBTCOBNGJRM-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM COC[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821683665 607054877 /nfs/dbraw/zinc/05/48/77/607054877.db2.gz HGNYPXWJKGCLAZ-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM COC[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821683665 607054880 /nfs/dbraw/zinc/05/48/80/607054880.db2.gz HGNYPXWJKGCLAZ-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM COC(=O)C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821658693 607055064 /nfs/dbraw/zinc/05/50/64/607055064.db2.gz FOIRHTLQURHOQM-AWEZNQCLSA-N -1 3 389.412 0.815 20 0 GCADHM COC(=O)C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821658693 607055067 /nfs/dbraw/zinc/05/50/67/607055067.db2.gz FOIRHTLQURHOQM-AWEZNQCLSA-N -1 3 389.412 0.815 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000821197839 607055680 /nfs/dbraw/zinc/05/56/80/607055680.db2.gz MIVVQNPTQAXQOJ-UHFFFAOYSA-N -1 3 397.480 0.710 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000821197839 607055682 /nfs/dbraw/zinc/05/56/82/607055682.db2.gz MIVVQNPTQAXQOJ-UHFFFAOYSA-N -1 3 397.480 0.710 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC1CCC1 ZINC000820446257 607060662 /nfs/dbraw/zinc/06/06/62/607060662.db2.gz TVOZQTLTDVBNGW-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC1CCC1 ZINC000820446257 607060663 /nfs/dbraw/zinc/06/06/63/607060663.db2.gz TVOZQTLTDVBNGW-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820054545 607062563 /nfs/dbraw/zinc/06/25/63/607062563.db2.gz AZHNOIZOJCJKKR-YPMHNXCESA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820054545 607062565 /nfs/dbraw/zinc/06/25/65/607062565.db2.gz AZHNOIZOJCJKKR-YPMHNXCESA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820995534 607063198 /nfs/dbraw/zinc/06/31/98/607063198.db2.gz TWPRVFPWSFHYTM-ONGXEEELSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820995534 607063199 /nfs/dbraw/zinc/06/31/99/607063199.db2.gz TWPRVFPWSFHYTM-ONGXEEELSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820993702 607063264 /nfs/dbraw/zinc/06/32/64/607063264.db2.gz APKCNOYJVYPSTP-DZGCQCFKSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820993702 607063266 /nfs/dbraw/zinc/06/32/66/607063266.db2.gz APKCNOYJVYPSTP-DZGCQCFKSA-N -1 3 392.485 0.586 20 0 GCADHM Cc1ncsc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822481927 607064079 /nfs/dbraw/zinc/06/40/79/607064079.db2.gz HIESRCAZDJMVLQ-MRVPVSSYSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1ncsc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822481927 607064081 /nfs/dbraw/zinc/06/40/81/607064081.db2.gz HIESRCAZDJMVLQ-MRVPVSSYSA-N -1 3 393.454 0.937 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)[S@@](C)=O ZINC000820241548 607064565 /nfs/dbraw/zinc/06/45/65/607064565.db2.gz GSKFSDFSOLJVNI-JGTBNHKDSA-N -1 3 391.501 0.855 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)[S@@](C)=O ZINC000820241548 607064567 /nfs/dbraw/zinc/06/45/67/607064567.db2.gz GSKFSDFSOLJVNI-JGTBNHKDSA-N -1 3 391.501 0.855 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821636343 607077156 /nfs/dbraw/zinc/07/71/56/607077156.db2.gz OGCBZCOBXKYWNJ-UHFFFAOYSA-N -1 3 380.361 0.599 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821636343 607077158 /nfs/dbraw/zinc/07/71/58/607077158.db2.gz OGCBZCOBXKYWNJ-UHFFFAOYSA-N -1 3 380.361 0.599 20 0 GCADHM Cc1cc(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c(=O)n(C)c1 ZINC000822208198 607078795 /nfs/dbraw/zinc/07/87/95/607078795.db2.gz GJHFRFJACWAYKJ-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM Cc1cc(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c(=O)n(C)c1 ZINC000822208198 607078796 /nfs/dbraw/zinc/07/87/96/607078796.db2.gz GJHFRFJACWAYKJ-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM CCCCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821071448 607079099 /nfs/dbraw/zinc/07/90/99/607079099.db2.gz FLRKFUYTOCNIMI-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM CCCCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821071448 607079101 /nfs/dbraw/zinc/07/91/01/607079101.db2.gz FLRKFUYTOCNIMI-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCCO1 ZINC000820451598 607079398 /nfs/dbraw/zinc/07/93/98/607079398.db2.gz WBEHMSXWGMNABI-PWSUYJOCSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCCO1 ZINC000820451598 607079399 /nfs/dbraw/zinc/07/93/99/607079399.db2.gz WBEHMSXWGMNABI-PWSUYJOCSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccoc1 ZINC000820444450 607080458 /nfs/dbraw/zinc/08/04/58/607080458.db2.gz JEBIAOXMMKVOJH-SNVBAGLBSA-N -1 3 377.382 0.870 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccoc1 ZINC000820444450 607080461 /nfs/dbraw/zinc/08/04/61/607080461.db2.gz JEBIAOXMMKVOJH-SNVBAGLBSA-N -1 3 377.382 0.870 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCCOC1 ZINC000820450026 607080885 /nfs/dbraw/zinc/08/08/85/607080885.db2.gz FZLTYOAMTFNVCQ-VXGBXAGGSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCCOC1 ZINC000820450026 607080887 /nfs/dbraw/zinc/08/08/87/607080887.db2.gz FZLTYOAMTFNVCQ-VXGBXAGGSA-N -1 3 395.441 0.503 20 0 GCADHM COCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821686823 607081007 /nfs/dbraw/zinc/08/10/07/607081007.db2.gz BAAPDQXAHMRESW-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM COCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821686823 607081009 /nfs/dbraw/zinc/08/10/09/607081009.db2.gz BAAPDQXAHMRESW-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM CCOC(=O)CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821330827 607082588 /nfs/dbraw/zinc/08/25/88/607082588.db2.gz UAQPYXUFRGNMPQ-SNVBAGLBSA-N -1 3 397.413 0.030 20 0 GCADHM CCOC(=O)CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821330827 607082590 /nfs/dbraw/zinc/08/25/90/607082590.db2.gz UAQPYXUFRGNMPQ-SNVBAGLBSA-N -1 3 397.413 0.030 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCCCO1 ZINC000820445979 607082600 /nfs/dbraw/zinc/08/26/00/607082600.db2.gz SAMVMDLLMBIWPJ-YPMHNXCESA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCCCO1 ZINC000820445979 607082602 /nfs/dbraw/zinc/08/26/02/607082602.db2.gz SAMVMDLLMBIWPJ-YPMHNXCESA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCSC1 ZINC000820446949 607083006 /nfs/dbraw/zinc/08/30/06/607083006.db2.gz XSXWTMOFDCVGEW-ONGXEEELSA-N -1 3 383.455 0.582 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCSC1 ZINC000820446949 607083007 /nfs/dbraw/zinc/08/30/07/607083007.db2.gz XSXWTMOFDCVGEW-ONGXEEELSA-N -1 3 383.455 0.582 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000820032152 607083958 /nfs/dbraw/zinc/08/39/58/607083958.db2.gz LSHBLGMGJAPKDM-SWLSCSKDSA-N -1 3 393.469 0.964 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000820032152 607083960 /nfs/dbraw/zinc/08/39/60/607083960.db2.gz LSHBLGMGJAPKDM-SWLSCSKDSA-N -1 3 393.469 0.964 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NC[C@H]1CCCS1(=O)=O ZINC000823061173 607084714 /nfs/dbraw/zinc/08/47/14/607084714.db2.gz YRLZXXXCQHJVSR-CYBMUJFWSA-N -1 3 381.483 0.793 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCCS1(=O)=O ZINC000823061173 607084715 /nfs/dbraw/zinc/08/47/15/607084715.db2.gz YRLZXXXCQHJVSR-CYBMUJFWSA-N -1 3 381.483 0.793 20 0 GCADHM Cc1oc(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1S(N)(=O)=O ZINC000822542550 607086099 /nfs/dbraw/zinc/08/60/99/607086099.db2.gz ZEIHAMBLVDCRFR-UHFFFAOYSA-N -1 3 381.345 0.912 20 0 GCADHM Cc1oc(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1S(N)(=O)=O ZINC000822542550 607086100 /nfs/dbraw/zinc/08/61/00/607086100.db2.gz ZEIHAMBLVDCRFR-UHFFFAOYSA-N -1 3 381.345 0.912 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000819996871 607089355 /nfs/dbraw/zinc/08/93/55/607089355.db2.gz LTSKMYDQGMUWBE-CYBMUJFWSA-N -1 3 379.442 0.718 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000819996871 607089356 /nfs/dbraw/zinc/08/93/56/607089356.db2.gz LTSKMYDQGMUWBE-CYBMUJFWSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1CCOCC1 ZINC000820443940 607089884 /nfs/dbraw/zinc/08/98/84/607089884.db2.gz BLUBFICKJTYXNK-NSHDSACASA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1CCOCC1 ZINC000820443940 607089885 /nfs/dbraw/zinc/08/98/85/607089885.db2.gz BLUBFICKJTYXNK-NSHDSACASA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cncn1C ZINC000820447155 607090726 /nfs/dbraw/zinc/09/07/26/607090726.db2.gz YLNRQIVJIBGEDT-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cncn1C ZINC000820447155 607090727 /nfs/dbraw/zinc/09/07/27/607090727.db2.gz YLNRQIVJIBGEDT-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM COC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821684280 607091247 /nfs/dbraw/zinc/09/12/47/607091247.db2.gz WSGIFBSEBKUKLZ-SMDDNHRTSA-N -1 3 397.457 0.748 20 0 GCADHM COC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821684280 607091248 /nfs/dbraw/zinc/09/12/48/607091248.db2.gz WSGIFBSEBKUKLZ-SMDDNHRTSA-N -1 3 397.457 0.748 20 0 GCADHM CO[C@H](C)CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821673953 607091333 /nfs/dbraw/zinc/09/13/33/607091333.db2.gz PFVUJRZLQXCHRD-MNOVXSKESA-N -1 3 383.430 0.502 20 0 GCADHM CO[C@H](C)CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821673953 607091335 /nfs/dbraw/zinc/09/13/35/607091335.db2.gz PFVUJRZLQXCHRD-MNOVXSKESA-N -1 3 383.430 0.502 20 0 GCADHM CO[C@H](C)CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821673952 607091446 /nfs/dbraw/zinc/09/14/46/607091446.db2.gz PFVUJRZLQXCHRD-GHMZBOCLSA-N -1 3 383.430 0.502 20 0 GCADHM CO[C@H](C)CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821673952 607091448 /nfs/dbraw/zinc/09/14/48/607091448.db2.gz PFVUJRZLQXCHRD-GHMZBOCLSA-N -1 3 383.430 0.502 20 0 GCADHM COCCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821686821 607091681 /nfs/dbraw/zinc/09/16/81/607091681.db2.gz BAAFHXCABAPQBQ-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM COCCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821686821 607091682 /nfs/dbraw/zinc/09/16/82/607091682.db2.gz BAAFHXCABAPQBQ-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCSC1 ZINC000820449869 607091829 /nfs/dbraw/zinc/09/18/29/607091829.db2.gz DFLQTOSFQLHORK-MNOVXSKESA-N -1 3 397.482 0.830 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCSC1 ZINC000820449869 607091830 /nfs/dbraw/zinc/09/18/30/607091830.db2.gz DFLQTOSFQLHORK-MNOVXSKESA-N -1 3 397.482 0.830 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCOC1CCC1 ZINC000820450388 607091928 /nfs/dbraw/zinc/09/19/28/607091928.db2.gz JWXLYKTYKQLRLT-NSHDSACASA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCOC1CCC1 ZINC000820450388 607091929 /nfs/dbraw/zinc/09/19/29/607091929.db2.gz JWXLYKTYKQLRLT-NSHDSACASA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCSC1 ZINC000820446010 607091943 /nfs/dbraw/zinc/09/19/43/607091943.db2.gz SWNSSJRSXPQEGJ-QWRGUYRKSA-N -1 3 397.482 0.830 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCSC1 ZINC000820446010 607091944 /nfs/dbraw/zinc/09/19/44/607091944.db2.gz SWNSSJRSXPQEGJ-QWRGUYRKSA-N -1 3 397.482 0.830 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCCOC1 ZINC000820452116 607092125 /nfs/dbraw/zinc/09/21/25/607092125.db2.gz ZWRZHKALZLYRKC-CMPLNLGQSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCCOC1 ZINC000820452116 607092127 /nfs/dbraw/zinc/09/21/27/607092127.db2.gz ZWRZHKALZLYRKC-CMPLNLGQSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1nnc2n1CCCC2 ZINC000820316443 607092999 /nfs/dbraw/zinc/09/29/99/607092999.db2.gz VXBNWWWXWWJYQP-SECBINFHSA-N -1 3 399.390 0.750 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1nnc2n1CCCC2 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/nfs/dbraw/zinc/18/37/48/607183748.db2.gz DEZOUOFRIJCRBI-LLVKDONJSA-N -1 3 398.427 0.605 20 0 GCADHM COCCc1cc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC000821694232 607183749 /nfs/dbraw/zinc/18/37/49/607183749.db2.gz DEZOUOFRIJCRBI-LLVKDONJSA-N -1 3 398.427 0.605 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[S@@](C)=O ZINC000820242223 607183918 /nfs/dbraw/zinc/18/39/18/607183918.db2.gz LYDIBPZJBVKVMZ-HUVZLPTESA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[S@@](C)=O ZINC000820242223 607183919 /nfs/dbraw/zinc/18/39/19/607183919.db2.gz LYDIBPZJBVKVMZ-HUVZLPTESA-N -1 3 384.849 0.732 20 0 GCADHM Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1Cl)C2 ZINC000822462355 607184103 /nfs/dbraw/zinc/18/41/03/607184103.db2.gz HMPHYIKLLVFEKU-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1Cl)C2 ZINC000822462355 607184104 /nfs/dbraw/zinc/18/41/04/607184104.db2.gz HMPHYIKLLVFEKU-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000821701130 607187693 /nfs/dbraw/zinc/18/76/93/607187693.db2.gz CKHQLYDQLMYWJA-GXTWGEPZSA-N -1 3 391.428 0.643 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000821701130 607187694 /nfs/dbraw/zinc/18/76/94/607187694.db2.gz CKHQLYDQLMYWJA-GXTWGEPZSA-N -1 3 391.428 0.643 20 0 GCADHM CS(=O)(=O)CCCC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000821927445 607188237 /nfs/dbraw/zinc/18/82/37/607188237.db2.gz XIZMSHHLZVIAMB-UHFFFAOYSA-N -1 3 389.441 0.698 20 0 GCADHM CS(=O)(=O)CCCC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000821927445 607188238 /nfs/dbraw/zinc/18/82/38/607188238.db2.gz XIZMSHHLZVIAMB-UHFFFAOYSA-N -1 3 389.441 0.698 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCSC[C@@H]1CCO ZINC000821700456 607192781 /nfs/dbraw/zinc/19/27/81/607192781.db2.gz PDGIBTWEVKXNID-LBPRGKRZSA-N -1 3 379.442 0.581 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCSC[C@@H]1CCO ZINC000821700456 607192782 /nfs/dbraw/zinc/19/27/82/607192782.db2.gz PDGIBTWEVKXNID-LBPRGKRZSA-N -1 3 379.442 0.581 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCSC[C@H]1CCO ZINC000821700455 607192828 /nfs/dbraw/zinc/19/28/28/607192828.db2.gz PDGIBTWEVKXNID-GFCCVEGCSA-N -1 3 379.442 0.581 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCSC[C@H]1CCO ZINC000821700455 607192829 /nfs/dbraw/zinc/19/28/29/607192829.db2.gz PDGIBTWEVKXNID-GFCCVEGCSA-N -1 3 379.442 0.581 20 0 GCADHM CCNC(=O)CN1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000821286686 607202418 /nfs/dbraw/zinc/20/24/18/607202418.db2.gz WANGVSAQVRYPKR-UHFFFAOYSA-N -1 3 392.851 0.806 20 0 GCADHM CCNC(=O)CN1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821286686 607202419 /nfs/dbraw/zinc/20/24/19/607202419.db2.gz WANGVSAQVRYPKR-UHFFFAOYSA-N -1 3 392.851 0.806 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821440730 607202513 /nfs/dbraw/zinc/20/25/13/607202513.db2.gz AWFAGWNYFGJUJC-UHFFFAOYSA-N -1 3 387.853 0.971 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821440730 607202514 /nfs/dbraw/zinc/20/25/14/607202514.db2.gz AWFAGWNYFGJUJC-UHFFFAOYSA-N -1 3 387.853 0.971 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821933146 607202625 /nfs/dbraw/zinc/20/26/25/607202625.db2.gz VYQSDTWGQMKYFE-SECBINFHSA-N -1 3 385.837 0.676 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821933146 607202626 /nfs/dbraw/zinc/20/26/26/607202626.db2.gz VYQSDTWGQMKYFE-SECBINFHSA-N -1 3 385.837 0.676 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821933147 607202661 /nfs/dbraw/zinc/20/26/61/607202661.db2.gz VYQSDTWGQMKYFE-VIFPVBQESA-N -1 3 385.837 0.676 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821933147 607202662 /nfs/dbraw/zinc/20/26/62/607202662.db2.gz VYQSDTWGQMKYFE-VIFPVBQESA-N -1 3 385.837 0.676 20 0 GCADHM COc1ccccc1[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)N1CCCC1 ZINC000821883563 607205317 /nfs/dbraw/zinc/20/53/17/607205317.db2.gz XORAQJSHAFZSHR-AWEZNQCLSA-N -1 3 397.443 0.420 20 0 GCADHM COc1ccccc1[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)N1CCCC1 ZINC000821883563 607205318 /nfs/dbraw/zinc/20/53/18/607205318.db2.gz XORAQJSHAFZSHR-AWEZNQCLSA-N -1 3 397.443 0.420 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000823536104 607205508 /nfs/dbraw/zinc/20/55/08/607205508.db2.gz RRQPSDNRLQYXNT-CHWSQXEVSA-N -1 3 385.432 0.126 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000823536104 607205509 /nfs/dbraw/zinc/20/55/09/607205509.db2.gz RRQPSDNRLQYXNT-CHWSQXEVSA-N -1 3 385.432 0.126 20 0 GCADHM O=C(NCCc1cscn1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823223573 607216634 /nfs/dbraw/zinc/21/66/34/607216634.db2.gz DNRTWNMCTFAXNN-UHFFFAOYSA-N -1 3 385.457 0.793 20 0 GCADHM O=C(NCCc1cscn1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823223573 607216635 /nfs/dbraw/zinc/21/66/35/607216635.db2.gz DNRTWNMCTFAXNN-UHFFFAOYSA-N -1 3 385.457 0.793 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN1Cc1ccccc1 ZINC000820716938 607220114 /nfs/dbraw/zinc/22/01/14/607220114.db2.gz MUFRKJBLRZLKJW-CQSZACIVSA-N -1 3 381.444 0.581 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(CCOc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674573 607228977 /nfs/dbraw/zinc/22/89/77/607228977.db2.gz XDRLGMXFVBYENJ-QGZVFWFLSA-N -1 3 382.384 0.446 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCO[C@@H](CO)C1 ZINC000821701535 607230778 /nfs/dbraw/zinc/23/07/78/607230778.db2.gz RRDQLNYQDSMXNG-CYBMUJFWSA-N -1 3 377.401 0.254 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCO[C@@H](CO)C1 ZINC000821701535 607230779 /nfs/dbraw/zinc/23/07/79/607230779.db2.gz RRDQLNYQDSMXNG-CYBMUJFWSA-N -1 3 377.401 0.254 20 0 GCADHM NS(=O)(=O)c1cccc(CNC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822899402 607232967 /nfs/dbraw/zinc/23/29/67/607232967.db2.gz IYKDXVYBOMEQAC-UHFFFAOYSA-N -1 3 393.816 0.493 20 0 GCADHM NS(=O)(=O)c1cccc(CNC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822899402 607232968 /nfs/dbraw/zinc/23/29/68/607232968.db2.gz IYKDXVYBOMEQAC-UHFFFAOYSA-N -1 3 393.816 0.493 20 0 GCADHM C[C@@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C(=O)NCc1ccco1 ZINC000820403398 607233297 /nfs/dbraw/zinc/23/32/97/607233297.db2.gz JOFHCGDPAACIAC-MRVPVSSYSA-N -1 3 375.776 0.943 20 0 GCADHM C[C@@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C(=O)NCc1ccco1 ZINC000820403398 607233298 /nfs/dbraw/zinc/23/32/98/607233298.db2.gz JOFHCGDPAACIAC-MRVPVSSYSA-N -1 3 375.776 0.943 20 0 GCADHM Cc1nc(SCC(=O)N2CCO[C@H](CO)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000822454119 607234426 /nfs/dbraw/zinc/23/44/26/607234426.db2.gz UBGKQFHMMURHPK-LBPRGKRZSA-N -1 3 378.458 0.499 20 0 GCADHM Cc1nc(SCC(=O)N2CCO[C@H](CO)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000822454119 607234427 /nfs/dbraw/zinc/23/44/27/607234427.db2.gz UBGKQFHMMURHPK-LBPRGKRZSA-N -1 3 378.458 0.499 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N2CCO[C@@H](CO)C2)c1-c1nnn[n-]1 ZINC000821988274 607234496 /nfs/dbraw/zinc/23/44/96/607234496.db2.gz DKOQWBREAZIBFT-SNVBAGLBSA-N -1 3 376.442 0.694 20 0 GCADHM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820908943 607234513 /nfs/dbraw/zinc/23/45/13/607234513.db2.gz RZSXDXBIXBEOHK-CQSZACIVSA-N -1 3 395.423 0.944 20 0 GCADHM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820908943 607234514 /nfs/dbraw/zinc/23/45/14/607234514.db2.gz RZSXDXBIXBEOHK-CQSZACIVSA-N -1 3 395.423 0.944 20 0 GCADHM O=C(c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)N1CCO[C@@H](CO)C1 ZINC000823488171 607234615 /nfs/dbraw/zinc/23/46/15/607234615.db2.gz KAHBATFQMPQMGB-OAHLLOKOSA-N -1 3 385.380 0.872 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822895354 607235264 /nfs/dbraw/zinc/23/52/64/607235264.db2.gz PGNVCVXFIFYQBX-YXVBKTCISA-N -1 3 376.442 0.550 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822895354 607235265 /nfs/dbraw/zinc/23/52/65/607235265.db2.gz PGNVCVXFIFYQBX-YXVBKTCISA-N -1 3 376.442 0.550 20 0 GCADHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000823450416 607245145 /nfs/dbraw/zinc/24/51/45/607245145.db2.gz QIOJECSNSKJVFH-UHFFFAOYSA-N -1 3 390.356 0.409 20 0 GCADHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000823450416 607245146 /nfs/dbraw/zinc/24/51/46/607245146.db2.gz QIOJECSNSKJVFH-UHFFFAOYSA-N -1 3 390.356 0.409 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821442422 607248634 /nfs/dbraw/zinc/24/86/34/607248634.db2.gz RYOMSGSMWAPUIK-UHFFFAOYSA-N -1 3 383.405 0.973 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821442422 607248635 /nfs/dbraw/zinc/24/86/35/607248635.db2.gz RYOMSGSMWAPUIK-UHFFFAOYSA-N -1 3 383.405 0.973 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](Cn3ccnn3)C2)cccc1-c1nnn[n-]1 ZINC000826240630 607774489 /nfs/dbraw/zinc/77/44/89/607774489.db2.gz BSGQGCGHUSQJNZ-CYBMUJFWSA-N -1 3 395.427 0.644 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](Cn3ccnn3)C2)cccc1-c1nn[n-]n1 ZINC000826240630 607774490 /nfs/dbraw/zinc/77/44/90/607774490.db2.gz BSGQGCGHUSQJNZ-CYBMUJFWSA-N -1 3 395.427 0.644 20 0 GCADHM CCOC(=O)Cc1nnc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825517589 607775051 /nfs/dbraw/zinc/77/50/51/607775051.db2.gz GWYLREHKDWRKIK-UHFFFAOYSA-N -1 3 389.397 0.841 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H]1C[C@@H](C)O ZINC000825621228 607775824 /nfs/dbraw/zinc/77/58/24/607775824.db2.gz QEICXDJVFJHEGZ-DGCLKSJQSA-N -1 3 388.428 0.966 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1C[C@@H](C)O ZINC000825621228 607775825 /nfs/dbraw/zinc/77/58/25/607775825.db2.gz QEICXDJVFJHEGZ-DGCLKSJQSA-N -1 3 388.428 0.966 20 0 GCADHM O=C(OCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826463606 607777942 /nfs/dbraw/zinc/77/79/42/607777942.db2.gz MFOOEMYUMBUNKX-UHFFFAOYSA-N -1 3 381.352 0.857 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000824745253 607794329 /nfs/dbraw/zinc/79/43/29/607794329.db2.gz PXOLAARJJBGSMV-NWDGAFQWSA-N -1 3 394.457 0.032 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000824745253 607794330 /nfs/dbraw/zinc/79/43/30/607794330.db2.gz PXOLAARJJBGSMV-NWDGAFQWSA-N -1 3 394.457 0.032 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000826223213 607796026 /nfs/dbraw/zinc/79/60/26/607796026.db2.gz FRSUVVWMWXVCPD-GFCCVEGCSA-N -1 3 396.498 0.499 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000826223213 607796027 /nfs/dbraw/zinc/79/60/27/607796027.db2.gz FRSUVVWMWXVCPD-GFCCVEGCSA-N -1 3 396.498 0.499 20 0 GCADHM CCN(CCS(C)(=O)=O)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825424815 607801215 /nfs/dbraw/zinc/80/12/15/607801215.db2.gz RFVWZRSDAYWKHM-UHFFFAOYSA-N -1 3 386.865 0.825 20 0 GCADHM CCN(CCS(C)(=O)=O)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825424815 607801216 /nfs/dbraw/zinc/80/12/16/607801216.db2.gz RFVWZRSDAYWKHM-UHFFFAOYSA-N -1 3 386.865 0.825 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000824730345 607801406 /nfs/dbraw/zinc/80/14/06/607801406.db2.gz MTOBEBSIVXTGKM-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM CCN(CCS(C)(=O)=O)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825424900 607801425 /nfs/dbraw/zinc/80/14/25/607801425.db2.gz RTUPVYSQBBNEJC-UHFFFAOYSA-N -1 3 377.430 0.783 20 0 GCADHM CCN(CCS(C)(=O)=O)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000825424900 607801426 /nfs/dbraw/zinc/80/14/26/607801426.db2.gz RTUPVYSQBBNEJC-UHFFFAOYSA-N -1 3 377.430 0.783 20 0 GCADHM CS(=O)(=O)CCN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826223036 607801534 /nfs/dbraw/zinc/80/15/34/607801534.db2.gz YXAFONFJRLIWCE-CQSZACIVSA-N -1 3 381.458 0.115 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(CCS(C)(=O)=O)C1CC1 ZINC000826175436 607802177 /nfs/dbraw/zinc/80/21/77/607802177.db2.gz FDLPSQBPKDLZBV-UHFFFAOYSA-N -1 3 381.458 0.763 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(CCS(C)(=O)=O)C1CC1 ZINC000826175436 607802178 /nfs/dbraw/zinc/80/21/78/607802178.db2.gz FDLPSQBPKDLZBV-UHFFFAOYSA-N -1 3 381.458 0.763 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826223604 607804211 /nfs/dbraw/zinc/80/42/11/607804211.db2.gz SWSDQOKQHHOHSC-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826223604 607804212 /nfs/dbraw/zinc/80/42/12/607804212.db2.gz SWSDQOKQHHOHSC-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM Cc1c(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000826241399 607804220 /nfs/dbraw/zinc/80/42/20/607804220.db2.gz CBVFSHORCAYFPJ-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM Cc1c(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000826241399 607804221 /nfs/dbraw/zinc/80/42/21/607804221.db2.gz CBVFSHORCAYFPJ-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM CCS(=O)(=O)NCCCOC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825663876 607804574 /nfs/dbraw/zinc/80/45/74/607804574.db2.gz YLAZJZXVVKGWOA-UHFFFAOYSA-N -1 3 375.357 0.631 20 0 GCADHM CCS(=O)(=O)NCCCOC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825663876 607804575 /nfs/dbraw/zinc/80/45/75/607804575.db2.gz YLAZJZXVVKGWOA-UHFFFAOYSA-N -1 3 375.357 0.631 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(Cn3ccnn3)CC2)c1-c1nnn[n-]1 ZINC000826299210 607805594 /nfs/dbraw/zinc/80/55/94/607805594.db2.gz VTMAQDPKNHIDOM-UHFFFAOYSA-N -1 3 395.427 0.644 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(Cn3ccnn3)CC2)c1-c1nn[n-]n1 ZINC000826299210 607805595 /nfs/dbraw/zinc/80/55/95/607805595.db2.gz VTMAQDPKNHIDOM-UHFFFAOYSA-N -1 3 395.427 0.644 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826453654 607806028 /nfs/dbraw/zinc/80/60/28/607806028.db2.gz UKVDUWCYWKBAMM-GFCCVEGCSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826453654 607806029 /nfs/dbraw/zinc/80/60/29/607806029.db2.gz UKVDUWCYWKBAMM-GFCCVEGCSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826453759 607806043 /nfs/dbraw/zinc/80/60/43/607806043.db2.gz YLDREXHIEHAMIE-UHFFFAOYSA-N -1 3 399.390 0.475 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826453759 607806044 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C[C@@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000824707304 607815123 /nfs/dbraw/zinc/81/51/23/607815123.db2.gz POORBSFDUAWUCH-UONOGXRCSA-N -1 3 394.501 0.027 20 0 GCADHM C[C@@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000824707304 607815124 /nfs/dbraw/zinc/81/51/24/607815124.db2.gz POORBSFDUAWUCH-UONOGXRCSA-N -1 3 394.501 0.027 20 0 GCADHM O=c1onc(-c2cccnc2)n1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826502126 607817436 /nfs/dbraw/zinc/81/74/36/607817436.db2.gz VFRZSKXVUVORBH-UHFFFAOYSA-N -1 3 399.392 0.552 20 0 GCADHM O=c1onc(-c2cccnc2)n1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826502126 607817437 /nfs/dbraw/zinc/81/74/37/607817437.db2.gz VFRZSKXVUVORBH-UHFFFAOYSA-N -1 3 399.392 0.552 20 0 GCADHM C[C@@H]1COCCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000825005930 607817822 /nfs/dbraw/zinc/81/78/22/607817822.db2.gz FDIXRWMUAWJPSE-ZDUSSCGKSA-N -1 3 385.428 0.557 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826487321 607818974 /nfs/dbraw/zinc/81/89/74/607818974.db2.gz KZVWNXWTGZJEIQ-HIFRSBDPSA-N -1 3 389.437 0.630 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826487321 607818975 /nfs/dbraw/zinc/81/89/75/607818975.db2.gz KZVWNXWTGZJEIQ-HIFRSBDPSA-N -1 3 389.437 0.630 20 0 GCADHM C[C@@H](CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000824419688 607823290 /nfs/dbraw/zinc/82/32/90/607823290.db2.gz BNUOPSPGQJTEMV-LBPRGKRZSA-N -1 3 393.473 0.131 20 0 GCADHM C[C@@H](CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000824419688 607823291 /nfs/dbraw/zinc/82/32/91/607823291.db2.gz BNUOPSPGQJTEMV-LBPRGKRZSA-N -1 3 393.473 0.131 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000825517725 607824378 /nfs/dbraw/zinc/82/43/78/607824378.db2.gz JSHMHKXFZMXUMV-UHFFFAOYSA-N -1 3 382.380 0.773 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000825517725 607824379 /nfs/dbraw/zinc/82/43/79/607824379.db2.gz JSHMHKXFZMXUMV-UHFFFAOYSA-N -1 3 382.380 0.773 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000824207347 607825355 /nfs/dbraw/zinc/82/53/55/607825355.db2.gz UZAXUHUQKUXFDC-FZMZJTMJSA-N -1 3 381.458 0.819 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000824207347 607825356 /nfs/dbraw/zinc/82/53/56/607825356.db2.gz UZAXUHUQKUXFDC-FZMZJTMJSA-N -1 3 381.458 0.819 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC[C@@H](C)C1 ZINC000825006947 607825522 /nfs/dbraw/zinc/82/55/22/607825522.db2.gz UAWYHFWXJYLZDZ-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC[C@@H](C)C1 ZINC000825006947 607825523 /nfs/dbraw/zinc/82/55/23/607825523.db2.gz UAWYHFWXJYLZDZ-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM CC(C)CN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824261193 607826950 /nfs/dbraw/zinc/82/69/50/607826950.db2.gz DRRYXKDUXOCJOG-UHFFFAOYSA-N -1 3 378.502 0.914 20 0 GCADHM CC(C)CN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824261193 607826951 /nfs/dbraw/zinc/82/69/51/607826951.db2.gz DRRYXKDUXOCJOG-UHFFFAOYSA-N -1 3 378.502 0.914 20 0 GCADHM CN(C)C(=O)C1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825839145 607827136 /nfs/dbraw/zinc/82/71/36/607827136.db2.gz GIQXVFPPEUXPHO-UHFFFAOYSA-N -1 3 392.485 0.441 20 0 GCADHM CN(C)C(=O)C1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825839145 607827137 /nfs/dbraw/zinc/82/71/37/607827137.db2.gz GIQXVFPPEUXPHO-UHFFFAOYSA-N -1 3 392.485 0.441 20 0 GCADHM CNC(=O)C1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826059933 607827264 /nfs/dbraw/zinc/82/72/64/607827264.db2.gz CQEHZAKPJIUUCQ-UHFFFAOYSA-N -1 3 378.458 0.098 20 0 GCADHM CNC(=O)C1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826059933 607827265 /nfs/dbraw/zinc/82/72/65/607827265.db2.gz CQEHZAKPJIUUCQ-UHFFFAOYSA-N -1 3 378.458 0.098 20 0 GCADHM CC(=O)NC[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823994675 607827611 /nfs/dbraw/zinc/82/76/11/607827611.db2.gz MICUWYKVZIXQFF-CQSZACIVSA-N -1 3 392.485 0.489 20 0 GCADHM CC(=O)NC[C@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823994675 607827612 /nfs/dbraw/zinc/82/76/12/607827612.db2.gz MICUWYKVZIXQFF-CQSZACIVSA-N -1 3 392.485 0.489 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCN(C2CC2)C1 ZINC000825946428 607828011 /nfs/dbraw/zinc/82/80/11/607828011.db2.gz XUUBSPYJUNBMID-HNNXBMFYSA-N -1 3 376.486 0.809 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCN(C2CC2)C1 ZINC000825946428 607828012 /nfs/dbraw/zinc/82/80/12/607828012.db2.gz XUUBSPYJUNBMID-HNNXBMFYSA-N -1 3 376.486 0.809 20 0 GCADHM CC[C@H](CO)N1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825121711 607828601 /nfs/dbraw/zinc/82/86/01/607828601.db2.gz UNPYTJPILOITPN-OAHLLOKOSA-N -1 3 394.501 0.029 20 0 GCADHM CC[C@H](CO)N1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825121711 607828602 /nfs/dbraw/zinc/82/86/02/607828602.db2.gz UNPYTJPILOITPN-OAHLLOKOSA-N -1 3 394.501 0.029 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824858926 607828856 /nfs/dbraw/zinc/82/88/56/607828856.db2.gz MYTKUUBNXBHBNI-DNLDONJPSA-N -1 3 383.499 0.482 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824858926 607828857 /nfs/dbraw/zinc/82/88/57/607828857.db2.gz MYTKUUBNXBHBNI-DNLDONJPSA-N -1 3 383.499 0.482 20 0 GCADHM CC(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000823981015 607829279 /nfs/dbraw/zinc/82/92/79/607829279.db2.gz JEBRYPGBXQIAJO-GFCCVEGCSA-N -1 3 378.458 0.193 20 0 GCADHM CC(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000823981015 607829280 /nfs/dbraw/zinc/82/92/80/607829280.db2.gz JEBRYPGBXQIAJO-GFCCVEGCSA-N -1 3 378.458 0.193 20 0 GCADHM CC(C)OC(=O)[C@H](C)N(C)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824305989 607829454 /nfs/dbraw/zinc/82/94/54/607829454.db2.gz ZCNXBXOSEITDHO-LBPRGKRZSA-N -1 3 381.458 0.912 20 0 GCADHM CC(C)OC(=O)[C@H](C)N(C)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824305989 607829455 /nfs/dbraw/zinc/82/94/55/607829455.db2.gz ZCNXBXOSEITDHO-LBPRGKRZSA-N -1 3 381.458 0.912 20 0 GCADHM COC(=O)[C@H](NCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000826111847 607830041 /nfs/dbraw/zinc/83/00/41/607830041.db2.gz NJVILCXKNMYZPB-ZDUSSCGKSA-N -1 3 381.458 0.818 20 0 GCADHM COC(=O)[C@H](NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000826111847 607830042 /nfs/dbraw/zinc/83/00/42/607830042.db2.gz NJVILCXKNMYZPB-ZDUSSCGKSA-N -1 3 381.458 0.818 20 0 GCADHM O=S(=O)(CCN1CCS[C@@H]2COCC[C@@H]21)c1cccc(-c2nnn[n-]2)c1 ZINC000826484947 607830246 /nfs/dbraw/zinc/83/02/46/607830246.db2.gz VTDBRIHVKRARHC-LSDHHAIUSA-N -1 3 395.510 0.847 20 0 GCADHM O=S(=O)(CCN1CCS[C@@H]2COCC[C@@H]21)c1cccc(-c2nn[n-]n2)c1 ZINC000826484947 607830247 /nfs/dbraw/zinc/83/02/47/607830247.db2.gz VTDBRIHVKRARHC-LSDHHAIUSA-N -1 3 395.510 0.847 20 0 GCADHM COc1ncnc(N(C)C)c1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826222377 607835335 /nfs/dbraw/zinc/83/53/35/607835335.db2.gz UXIAVAPNSUNFCO-UHFFFAOYSA-N -1 3 399.415 0.932 20 0 GCADHM COCCn1nc(C)c(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826163895 607835883 /nfs/dbraw/zinc/83/58/83/607835883.db2.gz QCWRPGDUJGRUOD-UHFFFAOYSA-N -1 3 398.427 0.581 20 0 GCADHM COCCn1nc(C)c(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826163895 607835884 /nfs/dbraw/zinc/83/58/84/607835884.db2.gz QCWRPGDUJGRUOD-UHFFFAOYSA-N -1 3 398.427 0.581 20 0 GCADHM CC[C@@H](CCOC)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825114184 607836576 /nfs/dbraw/zinc/83/65/76/607836576.db2.gz KTDCSAATOPYJJX-YPMHNXCESA-N -1 3 397.457 0.892 20 0 GCADHM CC[C@@H](CCOC)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825114184 607836577 /nfs/dbraw/zinc/83/65/77/607836577.db2.gz KTDCSAATOPYJJX-YPMHNXCESA-N -1 3 397.457 0.892 20 0 GCADHM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cnccc3-c3nnn[n-]3)CC2)C1 ZINC000824875322 607838667 /nfs/dbraw/zinc/83/86/67/607838667.db2.gz LKGSKAMWKLNWSB-GJZGRUSLSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cnccc3-c3nn[n-]n3)CC2)C1 ZINC000824875322 607838668 /nfs/dbraw/zinc/83/86/68/607838668.db2.gz LKGSKAMWKLNWSB-GJZGRUSLSA-N -1 3 384.488 0.888 20 0 GCADHM O=C(c1ccc2c(c1)OCO2)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826473879 607839789 /nfs/dbraw/zinc/83/97/89/607839789.db2.gz RYRUNIGSKSLSHN-UHFFFAOYSA-N -1 3 379.380 0.953 20 0 GCADHM O=C(c1ccc2c(c1)OCO2)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826473879 607839790 /nfs/dbraw/zinc/83/97/90/607839790.db2.gz RYRUNIGSKSLSHN-UHFFFAOYSA-N -1 3 379.380 0.953 20 0 GCADHM O=C(Cn1nc(C(F)(F)F)ccc1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826425406 607846393 /nfs/dbraw/zinc/84/63/93/607846393.db2.gz BUNJVJPNAOSLFS-UHFFFAOYSA-N -1 3 379.302 0.759 20 0 GCADHM O=C(Cn1nc(C(F)(F)F)ccc1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826425406 607846394 /nfs/dbraw/zinc/84/63/94/607846394.db2.gz BUNJVJPNAOSLFS-UHFFFAOYSA-N -1 3 379.302 0.759 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)[C@@H]2C1 ZINC000826145536 607852518 /nfs/dbraw/zinc/85/25/18/607852518.db2.gz IKTJJHDRZYMJKM-MRVWCRGKSA-N -1 3 397.432 0.963 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000823975324 607852603 /nfs/dbraw/zinc/85/26/03/607852603.db2.gz WWZUDKOATPITJQ-ZDUSSCGKSA-N -1 3 378.458 0.664 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000823975324 607852604 /nfs/dbraw/zinc/85/26/04/607852604.db2.gz WWZUDKOATPITJQ-ZDUSSCGKSA-N -1 3 378.458 0.664 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC000826145769 607852620 /nfs/dbraw/zinc/85/26/20/607852620.db2.gz LWHFDXSSMDWOAJ-BZUAXINKSA-N -1 3 393.469 0.965 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC000826145769 607852621 /nfs/dbraw/zinc/85/26/21/607852621.db2.gz LWHFDXSSMDWOAJ-BZUAXINKSA-N -1 3 393.469 0.965 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)[C@H]2C1 ZINC000826145505 607852633 /nfs/dbraw/zinc/85/26/33/607852633.db2.gz HQHNGTGHGOHBMO-XBFCOCLRSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)[C@H]2C1 ZINC000826145505 607852634 /nfs/dbraw/zinc/85/26/34/607852634.db2.gz HQHNGTGHGOHBMO-XBFCOCLRSA-N -1 3 379.442 0.824 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000823974781 607852777 /nfs/dbraw/zinc/85/27/77/607852777.db2.gz RUXQHTZJPPDGPG-AWEZNQCLSA-N -1 3 378.458 0.497 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000823974781 607852778 /nfs/dbraw/zinc/85/27/78/607852778.db2.gz RUXQHTZJPPDGPG-AWEZNQCLSA-N -1 3 378.458 0.497 20 0 GCADHM O=C(N[C@@H](CO)CC1CC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826431960 607860080 /nfs/dbraw/zinc/86/00/80/607860080.db2.gz OQJJHATUAGLVQS-OAHLLOKOSA-N -1 3 386.460 0.691 20 0 GCADHM O=C(N[C@@H](CO)CC1CC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826431960 607860081 /nfs/dbraw/zinc/86/00/81/607860081.db2.gz OQJJHATUAGLVQS-OAHLLOKOSA-N -1 3 386.460 0.691 20 0 GCADHM O=C(N[C@H](CO)CC1CC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826431959 607860265 /nfs/dbraw/zinc/86/02/65/607860265.db2.gz OQJJHATUAGLVQS-HNNXBMFYSA-N -1 3 386.460 0.691 20 0 GCADHM O=C(N[C@H](CO)CC1CC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826431959 607860266 /nfs/dbraw/zinc/86/02/66/607860266.db2.gz OQJJHATUAGLVQS-HNNXBMFYSA-N -1 3 386.460 0.691 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000825621652 607860549 /nfs/dbraw/zinc/86/05/49/607860549.db2.gz WJQBJHBNSSFUOP-TZMCWYRMSA-N -1 3 388.428 0.823 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000825621652 607860550 /nfs/dbraw/zinc/86/05/50/607860550.db2.gz WJQBJHBNSSFUOP-TZMCWYRMSA-N -1 3 388.428 0.823 20 0 GCADHM Cc1nc(SCC(=O)NC[C@@]2(O)CCOC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327678 607862048 /nfs/dbraw/zinc/86/20/48/607862048.db2.gz QAZVPDDDFVDTNE-INIZCTEOSA-N -1 3 378.458 0.547 20 0 GCADHM Cc1nc(SCC(=O)NC[C@@]2(O)CCOC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327678 607862049 /nfs/dbraw/zinc/86/20/49/607862049.db2.gz QAZVPDDDFVDTNE-INIZCTEOSA-N -1 3 378.458 0.547 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)NC[C@@]2(O)CCOC2)c1-c1nnn[n-]1 ZINC000826231435 607862108 /nfs/dbraw/zinc/86/21/08/607862108.db2.gz LFUICBBFILRZEP-INIZCTEOSA-N -1 3 376.442 0.742 20 0 GCADHM O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826501383 607868589 /nfs/dbraw/zinc/86/85/89/607868589.db2.gz NQIBJOQTKITKTI-ZIAGYGMSSA-N -1 3 388.359 0.372 20 0 GCADHM O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826501383 607868590 /nfs/dbraw/zinc/86/85/90/607868590.db2.gz NQIBJOQTKITKTI-ZIAGYGMSSA-N -1 3 388.359 0.372 20 0 GCADHM O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826501382 607868597 /nfs/dbraw/zinc/86/85/97/607868597.db2.gz NQIBJOQTKITKTI-UONOGXRCSA-N -1 3 388.359 0.372 20 0 GCADHM O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826501382 607868598 /nfs/dbraw/zinc/86/85/98/607868598.db2.gz NQIBJOQTKITKTI-UONOGXRCSA-N -1 3 388.359 0.372 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000826174543 607870996 /nfs/dbraw/zinc/87/09/96/607870996.db2.gz AUNQJCHKIXCANE-LBPRGKRZSA-N -1 3 395.375 0.911 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000826174543 607870997 /nfs/dbraw/zinc/87/09/97/607870997.db2.gz AUNQJCHKIXCANE-LBPRGKRZSA-N -1 3 395.375 0.911 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826391376 607876557 /nfs/dbraw/zinc/87/65/57/607876557.db2.gz IUECCPHQYZTAEK-HNNXBMFYSA-N -1 3 382.380 0.194 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826391376 607876558 /nfs/dbraw/zinc/87/65/58/607876558.db2.gz IUECCPHQYZTAEK-HNNXBMFYSA-N -1 3 382.380 0.194 20 0 GCADHM O=C(Cn1ccc(-c2nnn[n-]2)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000826424598 607891221 /nfs/dbraw/zinc/89/12/21/607891221.db2.gz UCZZJAZFVRRMJV-AWEZNQCLSA-N -1 3 378.458 0.627 20 0 GCADHM O=C(Cn1ccc(-c2nn[n-]n2)c1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000826424598 607891222 /nfs/dbraw/zinc/89/12/22/607891222.db2.gz UCZZJAZFVRRMJV-AWEZNQCLSA-N -1 3 378.458 0.627 20 0 GCADHM CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2cc(-c3nn[n-]n3)ccc2OC)C1=O ZINC000825176395 607893909 /nfs/dbraw/zinc/89/39/09/607893909.db2.gz RTOCZJOMRGVYFO-SFHVURJKSA-N -1 3 396.411 0.966 20 0 GCADHM NS(=O)(=O)[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)C1 ZINC000826394543 607899382 /nfs/dbraw/zinc/89/93/82/607899382.db2.gz OEJAPAOUPQIGQU-QMMMGPOBSA-N -1 3 381.368 0.560 20 0 GCADHM NS(=O)(=O)[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)C1 ZINC000826394543 607899383 /nfs/dbraw/zinc/89/93/83/607899383.db2.gz OEJAPAOUPQIGQU-QMMMGPOBSA-N -1 3 381.368 0.560 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H](CO)Cc1ccco1 ZINC000826280331 607906187 /nfs/dbraw/zinc/90/61/87/607906187.db2.gz XXENXYNVYYRFBH-GFCCVEGCSA-N -1 3 377.426 0.898 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H](CO)Cc1ccco1 ZINC000826280331 607906188 /nfs/dbraw/zinc/90/61/88/607906188.db2.gz XXENXYNVYYRFBH-GFCCVEGCSA-N -1 3 377.426 0.898 20 0 GCADHM O=S(=O)(NC[C@H](CO)Cc1ccco1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826489433 607906520 /nfs/dbraw/zinc/90/65/20/607906520.db2.gz PIPDMDPJCMVGLD-SNVBAGLBSA-N -1 3 381.389 0.728 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825213164 607907148 /nfs/dbraw/zinc/90/71/48/607907148.db2.gz VZVAMJOQEMDCSV-RISCZKNCSA-N -1 3 396.448 0.931 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825213484 607907209 /nfs/dbraw/zinc/90/72/09/607907209.db2.gz YZNZCPAJRFFHIW-ZBFHGGJFSA-N -1 3 392.485 0.933 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825213484 607907210 /nfs/dbraw/zinc/90/72/10/607907210.db2.gz YZNZCPAJRFFHIW-ZBFHGGJFSA-N -1 3 392.485 0.933 20 0 GCADHM COC[C@@H](CCO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000826149913 607908475 /nfs/dbraw/zinc/90/84/75/607908475.db2.gz RTGNNAJPNWJBPL-GFCCVEGCSA-N -1 3 380.474 0.793 20 0 GCADHM COC[C@@H](CCO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000826149913 607908476 /nfs/dbraw/zinc/90/84/76/607908476.db2.gz RTGNNAJPNWJBPL-GFCCVEGCSA-N -1 3 380.474 0.793 20 0 GCADHM CC1=CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824851594 607911426 /nfs/dbraw/zinc/91/14/26/607911426.db2.gz AVVQNNRXWKEVJA-GFCCVEGCSA-N -1 3 376.442 0.712 20 0 GCADHM CC1=CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824851594 607911427 /nfs/dbraw/zinc/91/14/27/607911427.db2.gz AVVQNNRXWKEVJA-GFCCVEGCSA-N -1 3 376.442 0.712 20 0 GCADHM CC1=CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824852346 607911444 /nfs/dbraw/zinc/91/14/44/607911444.db2.gz LXAIDNHGBRPEQE-LBPRGKRZSA-N -1 3 376.442 0.712 20 0 GCADHM CC1=CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824852346 607911445 /nfs/dbraw/zinc/91/14/45/607911445.db2.gz LXAIDNHGBRPEQE-LBPRGKRZSA-N -1 3 376.442 0.712 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826160021 607915076 /nfs/dbraw/zinc/91/50/76/607915076.db2.gz BUHIPDRYTBJZGU-HNNXBMFYSA-N -1 3 390.444 0.539 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H]1CCSC1 ZINC000824633318 607918552 /nfs/dbraw/zinc/91/85/52/607918552.db2.gz KUEPEMGWOYXVRX-CMPLNLGQSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H]1CCSC1 ZINC000824633318 607918553 /nfs/dbraw/zinc/91/85/53/607918553.db2.gz KUEPEMGWOYXVRX-CMPLNLGQSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@H]1CCSC1 ZINC000824633319 607918623 /nfs/dbraw/zinc/91/86/23/607918623.db2.gz KUEPEMGWOYXVRX-JQWIXIFHSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@H]1CCSC1 ZINC000824633319 607918624 /nfs/dbraw/zinc/91/86/24/607918624.db2.gz KUEPEMGWOYXVRX-JQWIXIFHSA-N -1 3 396.498 0.497 20 0 GCADHM COCCN(CC(=O)N(C)C)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000826157873 607921841 /nfs/dbraw/zinc/92/18/41/607921841.db2.gz PGHPZMHVYWJKRK-UHFFFAOYSA-N -1 3 376.417 0.190 20 0 GCADHM COCCN(CC(=O)N(C)C)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000826157873 607921842 /nfs/dbraw/zinc/92/18/42/607921842.db2.gz PGHPZMHVYWJKRK-UHFFFAOYSA-N -1 3 376.417 0.190 20 0 GCADHM CC1=CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)CC1 ZINC000824852469 607928417 /nfs/dbraw/zinc/92/84/17/607928417.db2.gz MVJLESIJPLFGMY-UHFFFAOYSA-N -1 3 393.411 0.624 20 0 GCADHM CC1=CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)CC1 ZINC000824852469 607928418 /nfs/dbraw/zinc/92/84/18/607928418.db2.gz MVJLESIJPLFGMY-UHFFFAOYSA-N -1 3 393.411 0.624 20 0 GCADHM C[C@@]1(c2cccnc2)NC(=O)N(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824852297 607930153 /nfs/dbraw/zinc/93/01/53/607930153.db2.gz JVQNSTHJPHPPDW-KSSFIOAISA-N -1 3 379.380 0.762 20 0 GCADHM C[C@@]1(c2cccnc2)NC(=O)N(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824852297 607930154 /nfs/dbraw/zinc/93/01/54/607930154.db2.gz JVQNSTHJPHPPDW-KSSFIOAISA-N -1 3 379.380 0.762 20 0 GCADHM CCS(=O)(=O)N1CCC(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000825663864 607930174 /nfs/dbraw/zinc/93/01/74/607930174.db2.gz YGVLWDZLLINJAW-UHFFFAOYSA-N -1 3 399.864 0.459 20 0 GCADHM CCS(=O)(=O)N1CCC(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000825663864 607930175 /nfs/dbraw/zinc/93/01/75/607930175.db2.gz YGVLWDZLLINJAW-UHFFFAOYSA-N -1 3 399.864 0.459 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826355331 607932917 /nfs/dbraw/zinc/93/29/17/607932917.db2.gz UVBWFWFLVTYZJD-UHFFFAOYSA-N -1 3 379.424 0.918 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826355331 607932918 /nfs/dbraw/zinc/93/29/18/607932918.db2.gz UVBWFWFLVTYZJD-UHFFFAOYSA-N -1 3 379.424 0.918 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc(C(=O)NC2CC2)cc1 ZINC000826438195 607933016 /nfs/dbraw/zinc/93/30/16/607933016.db2.gz RJDXIYSMFPLGJI-UHFFFAOYSA-N -1 3 392.423 0.996 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc(C(=O)NC2CC2)cc1 ZINC000826438195 607933017 /nfs/dbraw/zinc/93/30/17/607933017.db2.gz RJDXIYSMFPLGJI-UHFFFAOYSA-N -1 3 392.423 0.996 20 0 GCADHM CNC(=O)c1ccc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826067519 607933384 /nfs/dbraw/zinc/93/33/84/607933384.db2.gz HUODHNQIOTZQSQ-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM CNC(=O)c1ccc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826067519 607933385 /nfs/dbraw/zinc/93/33/85/607933385.db2.gz HUODHNQIOTZQSQ-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825659414 607937094 /nfs/dbraw/zinc/93/70/94/607937094.db2.gz SIRDHYLMLZWQQJ-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825659414 607937095 /nfs/dbraw/zinc/93/70/95/607937095.db2.gz SIRDHYLMLZWQQJ-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825659623 607937148 /nfs/dbraw/zinc/93/71/48/607937148.db2.gz WXMRNKMEBXYRHO-QMMMGPOBSA-N -1 3 377.423 0.107 20 0 GCADHM Cn1cc([C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cn1 ZINC000826358786 607937990 /nfs/dbraw/zinc/93/79/90/607937990.db2.gz IKDINBUVFGDSKW-NSHDSACASA-N -1 3 383.821 0.266 20 0 GCADHM Cn1cc([C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC000826358786 607937991 /nfs/dbraw/zinc/93/79/91/607937991.db2.gz IKDINBUVFGDSKW-NSHDSACASA-N -1 3 383.821 0.266 20 0 GCADHM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000826359099 607938302 /nfs/dbraw/zinc/93/83/02/607938302.db2.gz VUBAJEHKABMXDQ-GFCCVEGCSA-N -1 3 383.821 0.266 20 0 GCADHM Cn1cc([C@@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000826359099 607938303 /nfs/dbraw/zinc/93/83/03/607938303.db2.gz VUBAJEHKABMXDQ-GFCCVEGCSA-N -1 3 383.821 0.266 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC(OCCO)CC1 ZINC000826493976 607938421 /nfs/dbraw/zinc/93/84/21/607938421.db2.gz KQWJVDPCEDHUMA-UHFFFAOYSA-N -1 3 389.384 0.307 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC(OCCO)CC1 ZINC000826493976 607938422 /nfs/dbraw/zinc/93/84/22/607938422.db2.gz KQWJVDPCEDHUMA-UHFFFAOYSA-N -1 3 389.384 0.307 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC(OCCO)CC2)c(-c2nnn[n-]2)c1C ZINC000826341659 607942188 /nfs/dbraw/zinc/94/21/88/607942188.db2.gz MWTXCOSOTZLTNT-NSHDSACASA-N -1 3 378.433 0.877 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC(OCCO)CC2)c(-c2nn[n-]n2)c1C ZINC000826341659 607942189 /nfs/dbraw/zinc/94/21/89/607942189.db2.gz MWTXCOSOTZLTNT-NSHDSACASA-N -1 3 378.433 0.877 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826185097 607943874 /nfs/dbraw/zinc/94/38/74/607943874.db2.gz YNVWVIHQYKZFNB-MRVPVSSYSA-N -1 3 388.306 0.243 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826185097 607943875 /nfs/dbraw/zinc/94/38/75/607943875.db2.gz YNVWVIHQYKZFNB-MRVPVSSYSA-N -1 3 388.306 0.243 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)o1 ZINC000826223663 607948597 /nfs/dbraw/zinc/94/85/97/607948597.db2.gz VKYBFWZCINMLOT-UHFFFAOYSA-N -1 3 388.409 0.712 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)o1 ZINC000826223663 607948598 /nfs/dbraw/zinc/94/85/98/607948598.db2.gz VKYBFWZCINMLOT-UHFFFAOYSA-N -1 3 388.409 0.712 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)co1 ZINC000825875212 607949967 /nfs/dbraw/zinc/94/99/67/607949967.db2.gz FKXAEXPCSLONHS-UHFFFAOYSA-N -1 3 388.409 0.913 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)co1 ZINC000825875212 607949968 /nfs/dbraw/zinc/94/99/68/607949968.db2.gz FKXAEXPCSLONHS-UHFFFAOYSA-N -1 3 388.409 0.913 20 0 GCADHM O=C(CCNS(=O)(=O)c1cccnc1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826408269 607952032 /nfs/dbraw/zinc/95/20/32/607952032.db2.gz YEIWQJPVPKLHTP-UHFFFAOYSA-N -1 3 399.436 0.519 20 0 GCADHM O=C(CCNS(=O)(=O)c1cccnc1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826408269 607952033 /nfs/dbraw/zinc/95/20/33/607952033.db2.gz YEIWQJPVPKLHTP-UHFFFAOYSA-N -1 3 399.436 0.519 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1 ZINC000825662631 607955016 /nfs/dbraw/zinc/95/50/16/607955016.db2.gz ACDABAICNPSZGA-AWEZNQCLSA-N -1 3 390.469 0.818 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1 ZINC000825662631 607955017 /nfs/dbraw/zinc/95/50/17/607955017.db2.gz ACDABAICNPSZGA-AWEZNQCLSA-N -1 3 390.469 0.818 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000824633056 607956318 /nfs/dbraw/zinc/95/63/18/607956318.db2.gz GYPYJUFLKCWXQT-NXEZZACHSA-N -1 3 390.429 0.134 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000824633056 607956319 /nfs/dbraw/zinc/95/63/19/607956319.db2.gz GYPYJUFLKCWXQT-NXEZZACHSA-N -1 3 390.429 0.134 20 0 GCADHM Cc1sc(NC(=O)CN2CCN([C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1C ZINC000826349378 607957776 /nfs/dbraw/zinc/95/77/76/607957776.db2.gz GFYZEIBIKJLGCM-ZDUSSCGKSA-N -1 3 391.501 0.890 20 0 GCADHM Cc1sc(NC(=O)CN2CCN([C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1C ZINC000826349378 607957777 /nfs/dbraw/zinc/95/77/77/607957777.db2.gz GFYZEIBIKJLGCM-ZDUSSCGKSA-N -1 3 391.501 0.890 20 0 GCADHM COc1ccc(CNC(=O)N2CCC(OCCO)CC2)cc1-c1nnn[n-]1 ZINC000826197885 607959516 /nfs/dbraw/zinc/95/95/16/607959516.db2.gz GFCILZRVWYNQNI-UHFFFAOYSA-N -1 3 376.417 0.558 20 0 GCADHM COc1ccc(CNC(=O)N2CCC(OCCO)CC2)cc1-c1nn[n-]n1 ZINC000826197885 607959517 /nfs/dbraw/zinc/95/95/17/607959517.db2.gz GFCILZRVWYNQNI-UHFFFAOYSA-N -1 3 376.417 0.558 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826394275 607959724 /nfs/dbraw/zinc/95/97/24/607959724.db2.gz DPSVOWBBMXUWBK-UHFFFAOYSA-N -1 3 388.384 0.856 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826394275 607959725 /nfs/dbraw/zinc/95/97/25/607959725.db2.gz DPSVOWBBMXUWBK-UHFFFAOYSA-N -1 3 388.384 0.856 20 0 GCADHM C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1ccc(-c2nnn[n-]2)cc1 ZINC000824523291 607964080 /nfs/dbraw/zinc/96/40/80/607964080.db2.gz ZDJKKCPSMPSPHT-SECBINFHSA-N -1 3 377.368 0.499 20 0 GCADHM C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1ccc(-c2nn[n-]n2)cc1 ZINC000824523291 607964081 /nfs/dbraw/zinc/96/40/81/607964081.db2.gz ZDJKKCPSMPSPHT-SECBINFHSA-N -1 3 377.368 0.499 20 0 GCADHM S=C(NC[C@H]1CCCCO1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826511399 607966993 /nfs/dbraw/zinc/96/69/93/607966993.db2.gz OAQZZSGVJUJSJG-CQSZACIVSA-N -1 3 388.501 0.827 20 0 GCADHM S=C(NC[C@H]1CCCCO1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826511399 607966994 /nfs/dbraw/zinc/96/69/94/607966994.db2.gz OAQZZSGVJUJSJG-CQSZACIVSA-N -1 3 388.501 0.827 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000825494323 607973156 /nfs/dbraw/zinc/97/31/56/607973156.db2.gz WBNLJDCEXFFIHA-CQSZACIVSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000825494323 607973157 /nfs/dbraw/zinc/97/31/57/607973157.db2.gz WBNLJDCEXFFIHA-CQSZACIVSA-N -1 3 395.441 0.503 20 0 GCADHM COC(=O)C1([N-]S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CCSCC1 ZINC000826124954 607973620 /nfs/dbraw/zinc/97/36/20/607973620.db2.gz YXGFQLVGLQBHPH-UHFFFAOYSA-N -1 3 397.482 0.725 20 0 GCADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000824650019 607974689 /nfs/dbraw/zinc/97/46/89/607974689.db2.gz PHDIPDXNNUSUIN-SSDOTTSWSA-N -1 3 391.356 0.449 20 0 GCADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000824650019 607974690 /nfs/dbraw/zinc/97/46/90/607974690.db2.gz PHDIPDXNNUSUIN-SSDOTTSWSA-N -1 3 391.356 0.449 20 0 GCADHM CN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825887407 607975912 /nfs/dbraw/zinc/97/59/12/607975912.db2.gz GLTLPXYEJMGUQT-SECBINFHSA-N -1 3 390.347 0.395 20 0 GCADHM CN([C@H]1CCNC1=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000825887976 607975983 /nfs/dbraw/zinc/97/59/83/607975983.db2.gz MSAJYOLWOUORQA-VIFPVBQESA-N -1 3 390.347 0.395 20 0 GCADHM CN([C@H]1CCNC1=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000825887976 607975984 /nfs/dbraw/zinc/97/59/84/607975984.db2.gz MSAJYOLWOUORQA-VIFPVBQESA-N -1 3 390.347 0.395 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cn1 ZINC000825799680 607980434 /nfs/dbraw/zinc/98/04/34/607980434.db2.gz QLVWGLQCQLPGIR-SNVBAGLBSA-N -1 3 383.368 0.836 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cn1 ZINC000825799680 607980435 /nfs/dbraw/zinc/98/04/35/607980435.db2.gz QLVWGLQCQLPGIR-SNVBAGLBSA-N -1 3 383.368 0.836 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000825799483 607980466 /nfs/dbraw/zinc/98/04/66/607980466.db2.gz MHDZRKPFBAEBQC-CQSZACIVSA-N -1 3 395.379 0.615 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000825799483 607980467 /nfs/dbraw/zinc/98/04/67/607980467.db2.gz MHDZRKPFBAEBQC-CQSZACIVSA-N -1 3 395.379 0.615 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000825799497 607981146 /nfs/dbraw/zinc/98/11/46/607981146.db2.gz MVRPMPASZPMXKU-UHFFFAOYSA-N -1 3 380.412 0.615 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000825799497 607981147 /nfs/dbraw/zinc/98/11/47/607981147.db2.gz MVRPMPASZPMXKU-UHFFFAOYSA-N -1 3 380.412 0.615 20 0 GCADHM CC(C)N(CCC(=O)Nc1ccccc1-c1nnn[n-]1)CCS(C)(=O)=O ZINC000824289316 607986403 /nfs/dbraw/zinc/98/64/03/607986403.db2.gz ZBVYPKOFUPQGOH-UHFFFAOYSA-N -1 3 380.474 0.950 20 0 GCADHM CC(C)N(CCC(=O)Nc1ccccc1-c1nn[n-]n1)CCS(C)(=O)=O ZINC000824289316 607986404 /nfs/dbraw/zinc/98/64/04/607986404.db2.gz ZBVYPKOFUPQGOH-UHFFFAOYSA-N -1 3 380.474 0.950 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)[C@H]1CCNC1=O ZINC000824052166 607992594 /nfs/dbraw/zinc/99/25/94/607992594.db2.gz LVWFPGHORZKOLF-SCZZXKLOSA-N -1 3 375.458 0.564 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)[C@H]1CCNC1=O ZINC000824052166 607992595 /nfs/dbraw/zinc/99/25/95/607992595.db2.gz LVWFPGHORZKOLF-SCZZXKLOSA-N -1 3 375.458 0.564 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](C(N)=O)c2ccccc21 ZINC000826389971 607993530 /nfs/dbraw/zinc/99/35/30/607993530.db2.gz 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O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826486492 608001012 /nfs/dbraw/zinc/00/10/12/608001012.db2.gz DYSBMSKEIOQZCT-OAHLLOKOSA-N -1 3 378.458 0.103 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826486492 608001013 /nfs/dbraw/zinc/00/10/13/608001013.db2.gz DYSBMSKEIOQZCT-OAHLLOKOSA-N -1 3 378.458 0.103 20 0 GCADHM CC(=O)N1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000823981922 608001250 /nfs/dbraw/zinc/00/12/50/608001250.db2.gz SNGXRPLGDAEZIF-UHFFFAOYSA-N -1 3 382.421 0.390 20 0 GCADHM CC(=O)N1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000823981922 608001251 /nfs/dbraw/zinc/00/12/51/608001251.db2.gz SNGXRPLGDAEZIF-UHFFFAOYSA-N -1 3 382.421 0.390 20 0 GCADHM O=C1CCCN1CCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826480759 608001854 /nfs/dbraw/zinc/00/18/54/608001854.db2.gz PEXFRDRVYWYNCC-UHFFFAOYSA-N -1 3 382.421 0.438 20 0 GCADHM O=C1CCCN1CCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826480759 608001855 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GCADHM CN(C)c1nc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ns1 ZINC000825883882 608024293 /nfs/dbraw/zinc/02/42/93/608024293.db2.gz ORWUBSCOAMZGJA-UHFFFAOYSA-N -1 3 380.459 0.605 20 0 GCADHM CN(C)c1nc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ns1 ZINC000825883882 608024294 /nfs/dbraw/zinc/02/42/94/608024294.db2.gz ORWUBSCOAMZGJA-UHFFFAOYSA-N -1 3 380.459 0.605 20 0 GCADHM CCCCS(=O)(=O)NCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825296885 608030225 /nfs/dbraw/zinc/03/02/25/608030225.db2.gz YTULQVKQKZSPQM-UHFFFAOYSA-N -1 3 381.414 0.312 20 0 GCADHM O=S1(=O)CC[C@H](CCN2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000826496381 608032734 /nfs/dbraw/zinc/03/27/34/608032734.db2.gz UITVFGSVSHSHLX-ZDUSSCGKSA-N -1 3 377.474 0.209 20 0 GCADHM O=S1(=O)CC[C@H](CCN2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000826496381 608032735 /nfs/dbraw/zinc/03/27/35/608032735.db2.gz UITVFGSVSHSHLX-ZDUSSCGKSA-N -1 3 377.474 0.209 20 0 GCADHM C[C@H](c1nnnn1-c1ccccc1)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824779534 608037063 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GCADHM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825499083 608038718 /nfs/dbraw/zinc/03/87/18/608038718.db2.gz GLGKITPFNVQZLW-SECBINFHSA-N -1 3 378.364 0.650 20 0 GCADHM COc1ccnc(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826221136 608040685 /nfs/dbraw/zinc/04/06/85/608040685.db2.gz QIHZBMFJEKPNJG-UHFFFAOYSA-N -1 3 388.409 0.824 20 0 GCADHM CN1CC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1c1ccc(Cl)cc1 ZINC000826029979 608041195 /nfs/dbraw/zinc/04/11/95/608041195.db2.gz ZAOQBNRELBNMRZ-TZMCWYRMSA-N -1 3 387.835 0.673 20 0 GCADHM O=C(CN1CCn2c(nnc2C(F)F)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826411670 608043898 /nfs/dbraw/zinc/04/38/98/608043898.db2.gz IKFMVHXUWVLBNX-UHFFFAOYSA-N -1 3 375.343 0.850 20 0 GCADHM O=C(CN1CCn2c(nnc2C(F)F)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826411670 608043899 /nfs/dbraw/zinc/04/38/99/608043899.db2.gz IKFMVHXUWVLBNX-UHFFFAOYSA-N -1 3 375.343 0.850 20 0 GCADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CC[C@H](C(F)F)C3)CC2)o1 ZINC000826323017 608044480 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GCADHM NS(=O)(=O)C1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826394328 608049341 /nfs/dbraw/zinc/04/93/41/608049341.db2.gz GELJDIYRXBVUCZ-UHFFFAOYSA-N -1 3 387.263 0.887 20 0 GCADHM O=C1C[C@@]2(CCOC2)CN1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826479866 608055272 /nfs/dbraw/zinc/05/52/72/608055272.db2.gz KUZKQQHVJFZQMS-APWZRJJASA-N -1 3 384.440 0.837 20 0 GCADHM O=C1C[C@@]2(CCOC2)CN1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826479866 608055273 /nfs/dbraw/zinc/05/52/73/608055273.db2.gz KUZKQQHVJFZQMS-APWZRJJASA-N -1 3 384.440 0.837 20 0 GCADHM O=S(=O)(C[C@H]1CCOC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826484555 608056172 /nfs/dbraw/zinc/05/61/72/608056172.db2.gz HJVDNMOKTSYYKO-SWLSCSKDSA-N -1 3 379.442 0.606 20 0 GCADHM O=S(=O)(C[C@H]1CCOC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826484555 608056173 /nfs/dbraw/zinc/05/61/73/608056173.db2.gz HJVDNMOKTSYYKO-SWLSCSKDSA-N -1 3 379.442 0.606 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826487512 608056185 /nfs/dbraw/zinc/05/61/85/608056185.db2.gz QJPBMBIKSNWMOB-CQSZACIVSA-N -1 3 376.398 0.758 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826487512 608056186 /nfs/dbraw/zinc/05/61/86/608056186.db2.gz QJPBMBIKSNWMOB-CQSZACIVSA-N -1 3 376.398 0.758 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824448662 608063285 /nfs/dbraw/zinc/06/32/85/608063285.db2.gz JUFZHRPYWIQCNR-BXUZGUMPSA-N -1 3 394.457 0.383 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824448662 608063286 /nfs/dbraw/zinc/06/32/86/608063286.db2.gz JUFZHRPYWIQCNR-BXUZGUMPSA-N -1 3 394.457 0.383 20 0 GCADHM CC(C)N1C[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1=O ZINC000824296657 608063342 /nfs/dbraw/zinc/06/33/42/608063342.db2.gz JWNZSGNVNPDLRH-HZPDHXFCSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)N1C[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1=O ZINC000824296657 608063343 /nfs/dbraw/zinc/06/33/43/608063343.db2.gz 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GCADHM CN(C)c1nc(N)nc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000825883706 608067271 /nfs/dbraw/zinc/06/72/71/608067271.db2.gz KZXXYEPBVZITJU-ZDUSSCGKSA-N -1 3 382.432 0.273 20 0 GCADHM CN(C)c1nc(N)nc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000825883706 608067272 /nfs/dbraw/zinc/06/72/72/608067272.db2.gz KZXXYEPBVZITJU-ZDUSSCGKSA-N -1 3 382.432 0.273 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825992483 608067282 /nfs/dbraw/zinc/06/72/82/608067282.db2.gz YLFSWGSVVKMIBI-QGZVFWFLSA-N -1 3 396.455 0.632 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825992483 608067283 /nfs/dbraw/zinc/06/72/83/608067283.db2.gz YLFSWGSVVKMIBI-QGZVFWFLSA-N -1 3 396.455 0.632 20 0 GCADHM O[C@H](COC[C@H]1CCCO1)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826504441 608067802 /nfs/dbraw/zinc/06/78/02/608067802.db2.gz WDHQZWZSPQEFSL-RCCFBDPRSA-N -1 3 389.456 0.797 20 0 GCADHM CC1(C)NC(=O)N(CCCN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O 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/nfs/dbraw/zinc/07/62/69/608076269.db2.gz NPQRWYNVDWYDQX-MDZLAQPJSA-N -1 3 395.441 0.644 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826332766 608079379 /nfs/dbraw/zinc/07/93/79/608079379.db2.gz HCGFMIPWIWXABF-HNNXBMFYSA-N -1 3 395.423 1.000 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826332766 608079380 /nfs/dbraw/zinc/07/93/80/608079380.db2.gz HCGFMIPWIWXABF-HNNXBMFYSA-N -1 3 395.423 1.000 20 0 GCADHM NC(=O)NCCCCCC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826392560 608079602 /nfs/dbraw/zinc/07/96/02/608079602.db2.gz CUSGFQFMWRNYDK-HNNXBMFYSA-N -1 3 387.444 0.995 20 0 GCADHM NC(=O)NCCCCCC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826392560 608079603 /nfs/dbraw/zinc/07/96/03/608079603.db2.gz CUSGFQFMWRNYDK-HNNXBMFYSA-N -1 3 387.444 0.995 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000825799058 608080229 /nfs/dbraw/zinc/08/02/29/608080229.db2.gz BGVCJZGOUUVATF-OAHLLOKOSA-N -1 3 381.396 0.866 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000825799058 608080230 /nfs/dbraw/zinc/08/02/30/608080230.db2.gz BGVCJZGOUUVATF-OAHLLOKOSA-N -1 3 381.396 0.866 20 0 GCADHM Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826271683 608084684 /nfs/dbraw/zinc/08/46/84/608084684.db2.gz CGROCKIHKUEMKR-INIZCTEOSA-N -1 3 396.407 0.643 20 0 GCADHM Cc1cc(O)cc(=O)n1CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826271683 608084685 /nfs/dbraw/zinc/08/46/85/608084685.db2.gz CGROCKIHKUEMKR-INIZCTEOSA-N -1 3 396.407 0.643 20 0 GCADHM CS[C@@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N(C)C ZINC000826226970 608087912 /nfs/dbraw/zinc/08/79/12/608087912.db2.gz JGWYFWSHCFOYLX-LSDHHAIUSA-N -1 3 396.542 0.618 20 0 GCADHM O=C(CN1C[C@@H](O)C[C@H]1CO)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826409955 608088999 /nfs/dbraw/zinc/08/89/99/608088999.db2.gz VWARULLJBHDHSF-QWRGUYRKSA-N -1 3 392.485 0.563 20 0 GCADHM O=C(CN1C[C@@H](O)C[C@H]1CO)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826409955 608089001 /nfs/dbraw/zinc/08/90/01/608089001.db2.gz VWARULLJBHDHSF-QWRGUYRKSA-N -1 3 392.485 0.563 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC000824706939 608089938 /nfs/dbraw/zinc/08/99/38/608089938.db2.gz MEWKGXRAZNSACZ-IAQYHMDHSA-N -1 3 384.400 0.112 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC000824706939 608089939 /nfs/dbraw/zinc/08/99/39/608089939.db2.gz MEWKGXRAZNSACZ-IAQYHMDHSA-N -1 3 384.400 0.112 20 0 GCADHM c1nc(-c2ccccn2)nn1CN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826519204 608096865 /nfs/dbraw/zinc/09/68/65/608096865.db2.gz OLKFWXBVAZVZHY-UHFFFAOYSA-N -1 3 389.427 0.695 20 0 GCADHM c1nc(-c2ccccn2)nn1CN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826519204 608096866 /nfs/dbraw/zinc/09/68/66/608096866.db2.gz OLKFWXBVAZVZHY-UHFFFAOYSA-N -1 3 389.427 0.695 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000823975334 608103001 /nfs/dbraw/zinc/10/30/01/608103001.db2.gz XBJUZZJKDHEZTR-YPMHNXCESA-N -1 3 386.412 0.995 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000823975334 608103002 /nfs/dbraw/zinc/10/30/02/608103002.db2.gz XBJUZZJKDHEZTR-YPMHNXCESA-N -1 3 386.412 0.995 20 0 GCADHM C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824715914 608103218 /nfs/dbraw/zinc/10/32/18/608103218.db2.gz VBHAWVZMZXIWMV-UWVGGRQHSA-N -1 3 379.398 0.172 20 0 GCADHM C[C@H](OC(=O)[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824715914 608103219 /nfs/dbraw/zinc/10/32/19/608103219.db2.gz VBHAWVZMZXIWMV-UWVGGRQHSA-N -1 3 379.398 0.172 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000826175579 608103415 /nfs/dbraw/zinc/10/34/15/608103415.db2.gz JOUDFPMYSQBJMO-LBPRGKRZSA-N -1 3 389.416 0.304 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CC[C@H](NC(N)=O)C1 ZINC000826175579 608103416 /nfs/dbraw/zinc/10/34/16/608103416.db2.gz JOUDFPMYSQBJMO-LBPRGKRZSA-N -1 3 389.416 0.304 20 0 GCADHM NC(=O)N[C@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1 ZINC000826392488 608103637 /nfs/dbraw/zinc/10/36/37/608103637.db2.gz ZOXWYPYHCMNONH-NSHDSACASA-N -1 3 397.395 0.922 20 0 GCADHM NC(=O)N[C@H]1CCN(C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1 ZINC000826392488 608103638 /nfs/dbraw/zinc/10/36/38/608103638.db2.gz ZOXWYPYHCMNONH-NSHDSACASA-N -1 3 397.395 0.922 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000826394690 608105298 /nfs/dbraw/zinc/10/52/98/608105298.db2.gz URPAFODLLMWQGZ-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000826394690 608105300 /nfs/dbraw/zinc/10/53/00/608105300.db2.gz URPAFODLLMWQGZ-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM NC(=O)N[C@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000826392417 608106795 /nfs/dbraw/zinc/10/67/95/608106795.db2.gz XRPYJRSYTKREIJ-QMMMGPOBSA-N -1 3 382.331 0.743 20 0 GCADHM NC(=O)N[C@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000826392417 608106796 /nfs/dbraw/zinc/10/67/96/608106796.db2.gz XRPYJRSYTKREIJ-QMMMGPOBSA-N -1 3 382.331 0.743 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000824968505 608108321 /nfs/dbraw/zinc/10/83/21/608108321.db2.gz PYLWHRJAMKIZCB-JTQLQIEISA-N -1 3 397.361 0.900 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000824968505 608108322 /nfs/dbraw/zinc/10/83/22/608108322.db2.gz PYLWHRJAMKIZCB-JTQLQIEISA-N -1 3 397.361 0.900 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCN1CC(F)(F)F ZINC000824967872 608108440 /nfs/dbraw/zinc/10/84/40/608108440.db2.gz NTTSIMQAQOPNRN-SNVBAGLBSA-N -1 3 397.361 0.900 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCN1CC(F)(F)F ZINC000824967872 608108441 /nfs/dbraw/zinc/10/84/41/608108441.db2.gz NTTSIMQAQOPNRN-SNVBAGLBSA-N -1 3 397.361 0.900 20 0 GCADHM NC(=O)N[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000826391746 608108624 /nfs/dbraw/zinc/10/86/24/608108624.db2.gz AFZPNRWYJHBNMH-LLVKDONJSA-N -1 3 386.416 0.245 20 0 GCADHM NC(=O)N[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000826391746 608108625 /nfs/dbraw/zinc/10/86/25/608108625.db2.gz AFZPNRWYJHBNMH-LLVKDONJSA-N -1 3 386.416 0.245 20 0 GCADHM O=C1C[C@@H](N2CCN3C(=O)OCC[C@@H]3C2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000826479248 608109798 /nfs/dbraw/zinc/10/97/98/608109798.db2.gz UQDFILWAQLLRNP-ZIAGYGMSSA-N -1 3 397.395 0.025 20 0 GCADHM O=C1C[C@@H](N2CCN3C(=O)OCC[C@@H]3C2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000826479248 608109799 /nfs/dbraw/zinc/10/97/99/608109799.db2.gz UQDFILWAQLLRNP-ZIAGYGMSSA-N -1 3 397.395 0.025 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCN2C(=O)OCC[C@@H]2C1 ZINC000826334963 608110564 /nfs/dbraw/zinc/11/05/64/608110564.db2.gz RFMKNTJDDSVPOK-OAHLLOKOSA-N -1 3 395.427 0.918 20 0 GCADHM C[C@@]1(O)CCN(S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)C1 ZINC000824844524 608110929 /nfs/dbraw/zinc/11/09/29/608110929.db2.gz XRZOWKXMYZOLPX-GFCCVEGCSA-N -1 3 388.247 0.775 20 0 GCADHM C[C@@]1(O)CCN(S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)C1 ZINC000824844524 608110930 /nfs/dbraw/zinc/11/09/30/608110930.db2.gz XRZOWKXMYZOLPX-GFCCVEGCSA-N -1 3 388.247 0.775 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825897926 608111594 /nfs/dbraw/zinc/11/15/94/608111594.db2.gz RBEPWEULYLULQK-UHFFFAOYSA-N -1 3 391.450 0.450 20 0 GCADHM O=C1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CN1Cc1ccccc1 ZINC000826481210 608111812 /nfs/dbraw/zinc/11/18/12/608111812.db2.gz LGTKRJVVBZPBRH-UHFFFAOYSA-N -1 3 384.421 0.857 20 0 GCADHM O=C1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CN1Cc1ccccc1 ZINC000826481210 608111813 /nfs/dbraw/zinc/11/18/13/608111813.db2.gz LGTKRJVVBZPBRH-UHFFFAOYSA-N -1 3 384.421 0.857 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)CCN12 ZINC000826483274 608111918 /nfs/dbraw/zinc/11/19/18/608111918.db2.gz HPVDCPNZUPEVEN-ZDUSSCGKSA-N -1 3 378.414 0.223 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)CCN12 ZINC000826483274 608111919 /nfs/dbraw/zinc/11/19/19/608111919.db2.gz HPVDCPNZUPEVEN-ZDUSSCGKSA-N -1 3 378.414 0.223 20 0 GCADHM O=C1C[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CN1 ZINC000826479002 608111946 /nfs/dbraw/zinc/11/19/46/608111946.db2.gz NYDHKPCCZBXKHU-GWCFXTLKSA-N -1 3 394.432 0.685 20 0 GCADHM O=C1C[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CN1 ZINC000826478827 608112046 /nfs/dbraw/zinc/11/20/46/608112046.db2.gz KHFMIYJCOFCRML-HZMBPMFUSA-N -1 3 394.432 0.685 20 0 GCADHM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CN1 ZINC000826478855 608112066 /nfs/dbraw/zinc/11/20/66/608112066.db2.gz KRKAJNNMQJLEJA-CABCVRRESA-N -1 3 390.469 0.687 20 0 GCADHM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CN1 ZINC000826478855 608112067 /nfs/dbraw/zinc/11/20/67/608112067.db2.gz KRKAJNNMQJLEJA-CABCVRRESA-N -1 3 390.469 0.687 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826438645 608113315 /nfs/dbraw/zinc/11/33/15/608113315.db2.gz LBDFRBKJZQXRJC-ZDUSSCGKSA-N -1 3 387.400 0.482 20 0 GCADHM O=C(NCc1noc(C2CC2)n1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826443829 608114256 /nfs/dbraw/zinc/11/42/56/608114256.db2.gz FUIZZVFKHSLBJA-UHFFFAOYSA-N -1 3 396.415 0.554 20 0 GCADHM O=C(NCc1noc(C2CC2)n1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826443829 608114257 /nfs/dbraw/zinc/11/42/57/608114257.db2.gz FUIZZVFKHSLBJA-UHFFFAOYSA-N -1 3 396.415 0.554 20 0 GCADHM CCN(CC(=O)N(C)C)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825395188 608117402 /nfs/dbraw/zinc/11/74/02/608117402.db2.gz MLNUGYDRKAALGC-UHFFFAOYSA-N -1 3 387.444 0.912 20 0 GCADHM CCN(CC(=O)N(C)C)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825395188 608117403 /nfs/dbraw/zinc/11/74/03/608117403.db2.gz MLNUGYDRKAALGC-UHFFFAOYSA-N -1 3 387.444 0.912 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826299060 608118412 /nfs/dbraw/zinc/11/84/12/608118412.db2.gz PJCSEWZJIXAKBW-UHFFFAOYSA-N -1 3 394.457 0.395 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826299060 608118413 /nfs/dbraw/zinc/11/84/13/608118413.db2.gz PJCSEWZJIXAKBW-UHFFFAOYSA-N -1 3 394.457 0.395 20 0 GCADHM Cc1nc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(=O)[nH]c1C ZINC000826323570 608120874 /nfs/dbraw/zinc/12/08/74/608120874.db2.gz JINBHXQKEKMXFW-UHFFFAOYSA-N -1 3 394.439 0.966 20 0 GCADHM Cc1nc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(=O)[nH]c1C ZINC000826323570 608120875 /nfs/dbraw/zinc/12/08/75/608120875.db2.gz JINBHXQKEKMXFW-UHFFFAOYSA-N -1 3 394.439 0.966 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000824640785 608121156 /nfs/dbraw/zinc/12/11/56/608121156.db2.gz OVXPTGYOXQQOLW-SMDDNHRTSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000824640785 608121157 /nfs/dbraw/zinc/12/11/57/608121157.db2.gz OVXPTGYOXQQOLW-SMDDNHRTSA-N -1 3 390.469 0.792 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(F)(F)C1(O)CCC1 ZINC000826432122 608121496 /nfs/dbraw/zinc/12/14/96/608121496.db2.gz SLACZWHSRXIFSR-UHFFFAOYSA-N -1 3 393.398 0.897 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(F)(F)C1(O)CCC1 ZINC000826432122 608121497 /nfs/dbraw/zinc/12/14/97/608121497.db2.gz SLACZWHSRXIFSR-UHFFFAOYSA-N -1 3 393.398 0.897 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NC[C@H]1CCCCS1(=O)=O ZINC000826441837 608125383 /nfs/dbraw/zinc/12/53/83/608125383.db2.gz XMDUICZSHFSQGN-GFCCVEGCSA-N -1 3 382.421 0.772 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NC[C@H]1CCCCS1(=O)=O ZINC000826441837 608125384 /nfs/dbraw/zinc/12/53/84/608125384.db2.gz XMDUICZSHFSQGN-GFCCVEGCSA-N -1 3 382.421 0.772 20 0 GCADHM O=C1NC2(CO1)CCN([C@@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)CC2 ZINC000826482926 608126606 /nfs/dbraw/zinc/12/66/06/608126606.db2.gz VGRWTNMSTUUILR-LLVKDONJSA-N -1 3 389.441 0.608 20 0 GCADHM O=C1NC2(CO1)CCN([C@@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)CC2 ZINC000826482926 608126607 /nfs/dbraw/zinc/12/66/07/608126607.db2.gz VGRWTNMSTUUILR-LLVKDONJSA-N -1 3 389.441 0.608 20 0 GCADHM Cc1oc(NC(=O)CN2CCC3(COC(=O)N3)CC2)c(-c2nnn[n-]2)c1C ZINC000826341808 608126638 /nfs/dbraw/zinc/12/66/38/608126638.db2.gz QJPNUDDTUDKOIG-UHFFFAOYSA-N -1 3 375.389 0.589 20 0 GCADHM Cc1oc(NC(=O)CN2CCC3(COC(=O)N3)CC2)c(-c2nn[n-]n2)c1C ZINC000826341808 608126639 /nfs/dbraw/zinc/12/66/39/608126639.db2.gz QJPNUDDTUDKOIG-UHFFFAOYSA-N -1 3 375.389 0.589 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCOCC2(CCOCC2)C1 ZINC000826495679 608128600 /nfs/dbraw/zinc/12/86/00/608128600.db2.gz XAXYSRMMZIKNQO-UHFFFAOYSA-N -1 3 397.432 0.824 20 0 GCADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824450782 608130139 /nfs/dbraw/zinc/13/01/39/608130139.db2.gz ZXFJXMAFEYKHOC-RNUGCUGFSA-N -1 3 395.464 0.604 20 0 GCADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824450782 608130140 /nfs/dbraw/zinc/13/01/40/608130140.db2.gz ZXFJXMAFEYKHOC-RNUGCUGFSA-N -1 3 395.464 0.604 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c(C)c(C)nn(C)c1=O ZINC000826161587 608138082 /nfs/dbraw/zinc/13/80/82/608138082.db2.gz PIZKZLXQSOLYJY-UHFFFAOYSA-N -1 3 399.411 0.855 20 0 GCADHM CC(C)(C)n1cnc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824152544 608140280 /nfs/dbraw/zinc/14/02/80/608140280.db2.gz GXODYSJQRAQZCO-UHFFFAOYSA-N -1 3 399.415 0.347 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCn1ccnn1 ZINC000824319636 608144263 /nfs/dbraw/zinc/14/42/63/608144263.db2.gz WRQOTNQXKPLSHB-UHFFFAOYSA-N -1 3 399.415 0.390 20 0 GCADHM COCc1noc([C@@H](C)OC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826166064 608147156 /nfs/dbraw/zinc/14/71/56/608147156.db2.gz USLLSJRSDIDLPD-SECBINFHSA-N -1 3 387.356 0.430 20 0 GCADHM COCc1noc([C@@H](C)OC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826166064 608147157 /nfs/dbraw/zinc/14/71/57/608147157.db2.gz USLLSJRSDIDLPD-SECBINFHSA-N -1 3 387.356 0.430 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826256228 608158691 /nfs/dbraw/zinc/15/86/91/608158691.db2.gz ZHVBZFLZCQNIQH-BBRMVZONSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826256228 608158692 /nfs/dbraw/zinc/15/86/92/608158692.db2.gz ZHVBZFLZCQNIQH-BBRMVZONSA-N -1 3 379.442 0.792 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826486289 608158960 /nfs/dbraw/zinc/15/89/60/608158960.db2.gz WUUZJJUJESHQHF-BBRMVZONSA-N -1 3 397.432 0.763 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826486289 608158963 /nfs/dbraw/zinc/15/89/63/608158963.db2.gz WUUZJJUJESHQHF-BBRMVZONSA-N -1 3 397.432 0.763 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cnc2c(c1)NC(=O)CO2 ZINC000826481971 608162492 /nfs/dbraw/zinc/16/24/92/608162492.db2.gz OBIAECMIBWTJKP-UHFFFAOYSA-N -1 3 381.352 0.401 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000825476790 608163700 /nfs/dbraw/zinc/16/37/00/608163700.db2.gz WFCBBFSAPQBNJP-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000825476790 608163701 /nfs/dbraw/zinc/16/37/01/608163701.db2.gz WFCBBFSAPQBNJP-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM C[C@@H]1C[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824882552 608165843 /nfs/dbraw/zinc/16/58/43/608165843.db2.gz BRDINKPHYYOJCV-TZMCWYRMSA-N -1 3 393.469 0.713 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825582076 608166595 /nfs/dbraw/zinc/16/65/95/608166595.db2.gz HHTXNVOBZUXVKA-ZDUSSCGKSA-N -1 3 387.400 0.927 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825582076 608166596 /nfs/dbraw/zinc/16/65/96/608166596.db2.gz HHTXNVOBZUXVKA-ZDUSSCGKSA-N -1 3 387.400 0.927 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476450 608167916 /nfs/dbraw/zinc/16/79/16/608167916.db2.gz KPNVOGLJIOIEGI-BXUZGUMPSA-N -1 3 394.457 0.174 20 0 GCADHM Cc1cnc([C@H](C)OC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826317664 608169152 /nfs/dbraw/zinc/16/91/52/608169152.db2.gz KMQIKRFFTZIEDK-JTQLQIEISA-N -1 3 392.397 0.746 20 0 GCADHM Cc1cnc([C@H](C)OC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317664 608169153 /nfs/dbraw/zinc/16/91/53/608169153.db2.gz KMQIKRFFTZIEDK-JTQLQIEISA-N -1 3 392.397 0.746 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000825788277 608175854 /nfs/dbraw/zinc/17/58/54/608175854.db2.gz OBKZHHSWUWVFPN-GFCCVEGCSA-N -1 3 398.427 0.670 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000825788277 608175856 /nfs/dbraw/zinc/17/58/56/608175856.db2.gz OBKZHHSWUWVFPN-GFCCVEGCSA-N -1 3 398.427 0.670 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1ccc2nnnn2c1 ZINC000825793342 608176334 /nfs/dbraw/zinc/17/63/34/608176334.db2.gz QZJZVTZQCGDAMK-UHFFFAOYSA-N -1 3 375.356 0.926 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1ccc2nnnn2c1 ZINC000825793342 608176335 /nfs/dbraw/zinc/17/63/35/608176335.db2.gz QZJZVTZQCGDAMK-UHFFFAOYSA-N -1 3 375.356 0.926 20 0 GCADHM O=C(COC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826481745 608177648 /nfs/dbraw/zinc/17/76/48/608177648.db2.gz HKZAFIJFVHOYOD-UHFFFAOYSA-N -1 3 380.320 0.632 20 0 GCADHM O=C(COC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826481745 608177650 /nfs/dbraw/zinc/17/76/50/608177650.db2.gz HKZAFIJFVHOYOD-UHFFFAOYSA-N -1 3 380.320 0.632 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1c1ncon1 ZINC000826433022 608180921 /nfs/dbraw/zinc/18/09/21/608180921.db2.gz SAXULQLXLQCCNK-CYBMUJFWSA-N -1 3 382.384 0.733 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1c1ncon1 ZINC000826433022 608180922 /nfs/dbraw/zinc/18/09/22/608180922.db2.gz SAXULQLXLQCCNK-CYBMUJFWSA-N -1 3 382.384 0.733 20 0 GCADHM CN(CCc1cnccn1)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000825946391 608185541 /nfs/dbraw/zinc/18/55/41/608185541.db2.gz WGVYUOMFTQGOPW-UHFFFAOYSA-N -1 3 386.803 0.950 20 0 GCADHM CN(CCc1cnccn1)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000825946391 608185544 /nfs/dbraw/zinc/18/55/44/608185544.db2.gz WGVYUOMFTQGOPW-UHFFFAOYSA-N -1 3 386.803 0.950 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC1CCOCC1 ZINC000824633678 608187577 /nfs/dbraw/zinc/18/75/77/608187577.db2.gz QHAYILJGNKKYRB-JTQLQIEISA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC1CCOCC1 ZINC000824633678 608187578 /nfs/dbraw/zinc/18/75/78/608187578.db2.gz QHAYILJGNKKYRB-JTQLQIEISA-N -1 3 381.414 0.256 20 0 GCADHM CN(CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)C(=O)C1CC1 ZINC000825892974 608188449 /nfs/dbraw/zinc/18/84/49/608188449.db2.gz XRGBIQHCTVQNCZ-UHFFFAOYSA-N -1 3 380.412 0.741 20 0 GCADHM CN(CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)C(=O)C1CC1 ZINC000825892974 608188451 /nfs/dbraw/zinc/18/84/51/608188451.db2.gz XRGBIQHCTVQNCZ-UHFFFAOYSA-N -1 3 380.412 0.741 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000826443721 608190815 /nfs/dbraw/zinc/19/08/15/608190815.db2.gz AGDUJJNTPOMTBN-ZDUSSCGKSA-N -1 3 392.423 0.884 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000826443721 608190816 /nfs/dbraw/zinc/19/08/16/608190816.db2.gz AGDUJJNTPOMTBN-ZDUSSCGKSA-N -1 3 392.423 0.884 20 0 GCADHM COc1cccc([C@@H](O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826215184 608195037 /nfs/dbraw/zinc/19/50/37/608195037.db2.gz IQPYXWLVFLPLBA-QGZVFWFLSA-N -1 3 395.423 0.653 20 0 GCADHM COc1cccc([C@@H](O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826215184 608195040 /nfs/dbraw/zinc/19/50/40/608195040.db2.gz IQPYXWLVFLPLBA-QGZVFWFLSA-N -1 3 395.423 0.653 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](O)Cc1ccccc1 ZINC000824477927 608198568 /nfs/dbraw/zinc/19/85/68/608198568.db2.gz CYBUTKSSKHIZJO-CXAGYDPISA-N -1 3 394.435 0.705 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](O)Cc1ccccc1 ZINC000824477927 608198570 /nfs/dbraw/zinc/19/85/70/608198570.db2.gz CYBUTKSSKHIZJO-CXAGYDPISA-N -1 3 394.435 0.705 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@]1(C)CCOC1 ZINC000824641367 608199426 /nfs/dbraw/zinc/19/94/26/608199426.db2.gz VCAQQAWTFOISEP-BZNIZROVSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@]1(C)CCOC1 ZINC000824641367 608199428 /nfs/dbraw/zinc/19/94/28/608199428.db2.gz VCAQQAWTFOISEP-BZNIZROVSA-N -1 3 395.441 0.503 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nn1cc(Br)cn1 ZINC000826411547 608200552 /nfs/dbraw/zinc/20/05/52/608200552.db2.gz CPOOMDXDKVQEAE-UHFFFAOYSA-N -1 3 391.189 0.326 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nn1cc(Br)cn1 ZINC000826411547 608200554 /nfs/dbraw/zinc/20/05/54/608200554.db2.gz CPOOMDXDKVQEAE-UHFFFAOYSA-N -1 3 391.189 0.326 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NN1CCCCC1 ZINC000826405903 608205496 /nfs/dbraw/zinc/20/54/96/608205496.db2.gz YPLSBJQAHAOLDO-CQSZACIVSA-N -1 3 398.427 0.589 20 0 GCADHM 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ZINC000825476660 608210847 /nfs/dbraw/zinc/21/08/47/608210847.db2.gz RFMFQPSJQSEOKQ-GFCCVEGCSA-N -1 3 394.457 0.167 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)C1 ZINC000825476660 608210849 /nfs/dbraw/zinc/21/08/49/608210849.db2.gz RFMFQPSJQSEOKQ-GFCCVEGCSA-N -1 3 394.457 0.167 20 0 GCADHM Cc1cc(CN2CCN(C(=O)CNc3ccc(-c4nnn[n-]4)cn3)CC2)on1 ZINC000826266510 608216342 /nfs/dbraw/zinc/21/63/42/608216342.db2.gz QRSNNHLJIPHIEX-UHFFFAOYSA-N -1 3 383.416 0.314 20 0 GCADHM Cc1cc(CN2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CC2)on1 ZINC000826266510 608216344 /nfs/dbraw/zinc/21/63/44/608216344.db2.gz QRSNNHLJIPHIEX-UHFFFAOYSA-N -1 3 383.416 0.314 20 0 GCADHM CCNC(=O)COc1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000825470311 608217082 /nfs/dbraw/zinc/21/70/82/608217082.db2.gz BAACKWZUKWMSMP-UHFFFAOYSA-N -1 3 396.411 0.827 20 0 GCADHM CCNC(=O)COc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825470311 608217084 /nfs/dbraw/zinc/21/70/84/608217084.db2.gz BAACKWZUKWMSMP-UHFFFAOYSA-N -1 3 396.411 0.827 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)C2CC(=O)C2)nn1-c1ccccc1 ZINC000826394976 608217582 /nfs/dbraw/zinc/21/75/82/608217582.db2.gz HJYMVCMUQJYNRS-UHFFFAOYSA-N -1 3 380.412 0.663 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)C2CC(=O)C2)nn1-c1ccccc1 ZINC000826394976 608217584 /nfs/dbraw/zinc/21/75/84/608217584.db2.gz HJYMVCMUQJYNRS-UHFFFAOYSA-N -1 3 380.412 0.663 20 0 GCADHM CCOC(=O)N[C@H](CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1)CC(C)C ZINC000825523970 608219028 /nfs/dbraw/zinc/21/90/28/608219028.db2.gz XPVLNGRRXIIECT-ZDUSSCGKSA-N -1 3 390.448 0.951 20 0 GCADHM CCOC(=O)N[C@H](CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1)CC(C)C ZINC000825523970 608219031 /nfs/dbraw/zinc/21/90/31/608219031.db2.gz XPVLNGRRXIIECT-ZDUSSCGKSA-N -1 3 390.448 0.951 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825066625 608221397 /nfs/dbraw/zinc/22/13/97/608221397.db2.gz CLFWSHMXXWSWDC-ZYHUDNBSSA-N -1 3 390.473 0.490 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825066625 608221399 /nfs/dbraw/zinc/22/13/99/608221399.db2.gz CLFWSHMXXWSWDC-ZYHUDNBSSA-N -1 3 390.473 0.490 20 0 GCADHM C[C@@H]1CN=C(N2CCN(C(=O)CNc3ccc(-c4nnn[n-]4)cn3)CC2)S1 ZINC000824999548 608224293 /nfs/dbraw/zinc/22/42/93/608224293.db2.gz HNUJSNYWLARQKG-LLVKDONJSA-N -1 3 387.473 0.309 20 0 GCADHM C[C@@H]1CN=C(N2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CC2)S1 ZINC000824999548 608224295 /nfs/dbraw/zinc/22/42/95/608224295.db2.gz HNUJSNYWLARQKG-LLVKDONJSA-N -1 3 387.473 0.309 20 0 GCADHM Cc1nsc(N2CCN(C(=O)CNc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826340071 608224507 /nfs/dbraw/zinc/22/45/07/608224507.db2.gz GMJRBHXDHKLWLG-UHFFFAOYSA-N -1 3 386.445 0.182 20 0 GCADHM Cc1nsc(N2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826340071 608224508 /nfs/dbraw/zinc/22/45/08/608224508.db2.gz GMJRBHXDHKLWLG-UHFFFAOYSA-N -1 3 386.445 0.182 20 0 GCADHM Cc1cnc(N2CCN(C(=O)CNc3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000826319281 608224649 /nfs/dbraw/zinc/22/46/49/608224649.db2.gz WGYPNDCNYAGUEC-UHFFFAOYSA-N -1 3 385.457 0.787 20 0 GCADHM Cc1cnc(N2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CC2)s1 ZINC000826319281 608224651 /nfs/dbraw/zinc/22/46/51/608224651.db2.gz WGYPNDCNYAGUEC-UHFFFAOYSA-N -1 3 385.457 0.787 20 0 GCADHM Cc1ccoc1C(=O)NCCCNC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826315420 608224824 /nfs/dbraw/zinc/22/48/24/608224824.db2.gz JEZQIHPBODNBPU-UHFFFAOYSA-N -1 3 384.400 0.511 20 0 GCADHM Cc1ccoc1C(=O)NCCCNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826315420 608224826 /nfs/dbraw/zinc/22/48/26/608224826.db2.gz JEZQIHPBODNBPU-UHFFFAOYSA-N -1 3 384.400 0.511 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCC(Nc2cccnn2)CC1 ZINC000826413943 608225122 /nfs/dbraw/zinc/22/51/22/608225122.db2.gz XLBCEZQIZIRZTN-UHFFFAOYSA-N -1 3 380.416 0.567 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCC(Nc2cccnn2)CC1 ZINC000826413943 608225123 /nfs/dbraw/zinc/22/51/23/608225123.db2.gz XLBCEZQIZIRZTN-UHFFFAOYSA-N -1 3 380.416 0.567 20 0 GCADHM O=S(=O)(CCNc1ccc2cc(-c3nnn[n-]3)ccc2n1)N1CCOCC1 ZINC000826485360 608226250 /nfs/dbraw/zinc/22/62/50/608226250.db2.gz NPXUFOMASANZJJ-UHFFFAOYSA-N -1 3 389.441 0.489 20 0 GCADHM O=S(=O)(CCNc1ccc2cc(-c3nn[n-]n3)ccc2n1)N1CCOCC1 ZINC000826485360 608226251 /nfs/dbraw/zinc/22/62/51/608226251.db2.gz NPXUFOMASANZJJ-UHFFFAOYSA-N -1 3 389.441 0.489 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000826413547 608226413 /nfs/dbraw/zinc/22/64/13/608226413.db2.gz JIRHYVXHYBITSM-UHFFFAOYSA-N -1 3 394.439 0.724 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000826413547 608226414 /nfs/dbraw/zinc/22/64/14/608226414.db2.gz JIRHYVXHYBITSM-UHFFFAOYSA-N -1 3 394.439 0.724 20 0 GCADHM Cc1cccc(OC[C@H](O)CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826299990 608226735 /nfs/dbraw/zinc/22/67/35/608226735.db2.gz CVCHYYAVSNBLJM-CQSZACIVSA-N -1 3 383.412 0.538 20 0 GCADHM Cc1cccc(OC[C@H](O)CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826299990 608226736 /nfs/dbraw/zinc/22/67/36/608226736.db2.gz CVCHYYAVSNBLJM-CQSZACIVSA-N -1 3 383.412 0.538 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCOC3(CCC3)C2)C1=O ZINC000824844079 608237718 /nfs/dbraw/zinc/23/77/18/608237718.db2.gz OXBHZCONRKLSSC-SFHVURJKSA-N -1 3 397.439 0.846 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCOC3(CCC3)C2)C1=O ZINC000824844079 608237719 /nfs/dbraw/zinc/23/77/19/608237719.db2.gz OXBHZCONRKLSSC-SFHVURJKSA-N -1 3 397.439 0.846 20 0 GCADHM CC[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H](O)C(F)(F)F ZINC000825147865 608238253 /nfs/dbraw/zinc/23/82/53/608238253.db2.gz LWXQZCSGANBGLU-QWRGUYRKSA-N -1 3 379.364 0.988 20 0 GCADHM CC[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H](O)C(F)(F)F ZINC000825147867 608238506 /nfs/dbraw/zinc/23/85/06/608238506.db2.gz LWXQZCSGANBGLU-WDEREUQCSA-N -1 3 379.364 0.988 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826060964 608240684 /nfs/dbraw/zinc/24/06/84/608240684.db2.gz XIVGAJHOXXUZBQ-ZYHUDNBSSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826060964 608240685 /nfs/dbraw/zinc/24/06/85/608240685.db2.gz XIVGAJHOXXUZBQ-ZYHUDNBSSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826060522 608240878 /nfs/dbraw/zinc/24/08/78/608240878.db2.gz NTFDOXGFAWHIDU-ZIAGYGMSSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826060522 608240880 /nfs/dbraw/zinc/24/08/80/608240880.db2.gz NTFDOXGFAWHIDU-ZIAGYGMSSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826061014 608241230 /nfs/dbraw/zinc/24/12/30/608241230.db2.gz YGUIJPLWZXQDHR-PMPSAXMXSA-N -1 3 399.455 0.864 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826061014 608241231 /nfs/dbraw/zinc/24/12/31/608241231.db2.gz YGUIJPLWZXQDHR-PMPSAXMXSA-N -1 3 399.455 0.864 20 0 GCADHM C[C@H](O)C(=O)N1CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000824677946 608241323 /nfs/dbraw/zinc/24/13/23/608241323.db2.gz JMXNOWVAWPTBER-NSHDSACASA-N -1 3 390.448 0.480 20 0 GCADHM C[C@H](O)C(=O)N1CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000824677946 608241324 /nfs/dbraw/zinc/24/13/24/608241324.db2.gz JMXNOWVAWPTBER-NSHDSACASA-N -1 3 390.448 0.480 20 0 GCADHM Cn1ccc(CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC000826362726 608241702 /nfs/dbraw/zinc/24/17/02/608241702.db2.gz GFQQXWYIMZNDIJ-UHFFFAOYSA-N -1 3 385.407 0.771 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@@H](O)C(F)(F)F ZINC000825133833 608244640 /nfs/dbraw/zinc/24/46/40/608244640.db2.gz QMDRBVDUABECGE-GXSJLCMTSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@@H](O)C(F)(F)F ZINC000825133833 608244641 /nfs/dbraw/zinc/24/46/41/608244641.db2.gz QMDRBVDUABECGE-GXSJLCMTSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@H](O)C(F)(F)F ZINC000825133835 608244734 /nfs/dbraw/zinc/24/47/34/608244734.db2.gz QMDRBVDUABECGE-KOLCDFICSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@H](O)C(F)(F)F ZINC000825133835 608244736 /nfs/dbraw/zinc/24/47/36/608244736.db2.gz QMDRBVDUABECGE-KOLCDFICSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)F ZINC000825200774 608245195 /nfs/dbraw/zinc/24/51/95/608245195.db2.gz COECTMDGIQCKON-CYBMUJFWSA-N -1 3 393.398 0.993 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)F ZINC000825200774 608245197 /nfs/dbraw/zinc/24/51/97/608245197.db2.gz COECTMDGIQCKON-CYBMUJFWSA-N -1 3 393.398 0.993 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)F ZINC000825200775 608245261 /nfs/dbraw/zinc/24/52/61/608245261.db2.gz COECTMDGIQCKON-ZDUSSCGKSA-N -1 3 393.398 0.993 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)F ZINC000825200775 608245263 /nfs/dbraw/zinc/24/52/63/608245263.db2.gz COECTMDGIQCKON-ZDUSSCGKSA-N -1 3 393.398 0.993 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCOC2(CCC2)C1 ZINC000825620830 608247293 /nfs/dbraw/zinc/24/72/93/608247293.db2.gz JFIUVVSTIYTIIO-UHFFFAOYSA-N -1 3 386.412 0.985 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCOC2(CCC2)C1 ZINC000825620830 608247294 /nfs/dbraw/zinc/24/72/94/608247294.db2.gz JFIUVVSTIYTIIO-UHFFFAOYSA-N -1 3 386.412 0.985 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OC[C@@H]1CNC(=O)C1 ZINC000826175435 608248328 /nfs/dbraw/zinc/24/83/28/608248328.db2.gz FAARULCGGMCBKG-NSHDSACASA-N -1 3 375.385 0.714 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OC[C@@H]1CNC(=O)C1 ZINC000826175435 608248331 /nfs/dbraw/zinc/24/83/31/608248331.db2.gz FAARULCGGMCBKG-NSHDSACASA-N -1 3 375.385 0.714 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825760372 608249886 /nfs/dbraw/zinc/24/98/86/608249886.db2.gz WJWMBEOKEZIWFE-UHFFFAOYSA-N -1 3 377.430 0.650 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825760372 608249889 /nfs/dbraw/zinc/24/98/89/608249889.db2.gz WJWMBEOKEZIWFE-UHFFFAOYSA-N -1 3 377.430 0.650 20 0 GCADHM C[C@H](C(N)=O)N(C)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824051822 608250350 /nfs/dbraw/zinc/25/03/50/608250350.db2.gz FWQLXIWTDXXOBX-ZCFIWIBFSA-N -1 3 389.235 0.124 20 0 GCADHM C[C@H](C(N)=O)N(C)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824051822 608250351 /nfs/dbraw/zinc/25/03/51/608250351.db2.gz FWQLXIWTDXXOBX-ZCFIWIBFSA-N -1 3 389.235 0.124 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000826395035 608251775 /nfs/dbraw/zinc/25/17/75/608251775.db2.gz KMDWPNQYRBGCFI-CYBMUJFWSA-N -1 3 393.411 0.081 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 ZINC000826395035 608251776 /nfs/dbraw/zinc/25/17/76/608251776.db2.gz KMDWPNQYRBGCFI-CYBMUJFWSA-N -1 3 393.411 0.081 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826417123 608253090 /nfs/dbraw/zinc/25/30/90/608253090.db2.gz FCZYEJLAPINSHE-OAHLLOKOSA-N -1 3 387.396 0.426 20 0 GCADHM CC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](O)C(F)(F)F ZINC000825133738 608253502 /nfs/dbraw/zinc/25/35/02/608253502.db2.gz OXUKUMIOFBUFEO-ZYHUDNBSSA-N -1 3 386.334 0.415 20 0 GCADHM CC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](O)C(F)(F)F ZINC000825133738 608253503 /nfs/dbraw/zinc/25/35/03/608253503.db2.gz OXUKUMIOFBUFEO-ZYHUDNBSSA-N -1 3 386.334 0.415 20 0 GCADHM Cc1nccn1CCOC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826331300 608253625 /nfs/dbraw/zinc/25/36/25/608253625.db2.gz BYGMWOFUJPXHSC-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM O=C(CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)N1CCOC[C@@H]1C1CC1 ZINC000826410955 608256391 /nfs/dbraw/zinc/25/63/91/608256391.db2.gz FQQNKFPUNCXGFZ-MSOLQXFVSA-N -1 3 398.467 0.877 20 0 GCADHM O=C(CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)N1CCOC[C@@H]1C1CC1 ZINC000826410955 608256393 /nfs/dbraw/zinc/25/63/93/608256393.db2.gz FQQNKFPUNCXGFZ-MSOLQXFVSA-N -1 3 398.467 0.877 20 0 GCADHM CCCc1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)n(C)n1 ZINC000825348370 608258110 /nfs/dbraw/zinc/25/81/10/608258110.db2.gz HRNZCPNXLVUDND-UHFFFAOYSA-N -1 3 398.431 0.115 20 0 GCADHM CCCc1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)n(C)n1 ZINC000825348370 608258111 /nfs/dbraw/zinc/25/81/11/608258111.db2.gz HRNZCPNXLVUDND-UHFFFAOYSA-N -1 3 398.431 0.115 20 0 GCADHM CCCc1cc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)n(C)n1 ZINC000825348776 608259946 /nfs/dbraw/zinc/25/99/46/608259946.db2.gz ZXSSVRKJKKINQT-UHFFFAOYSA-N -1 3 398.427 0.816 20 0 GCADHM CCCc1cc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)n(C)n1 ZINC000825348776 608259948 /nfs/dbraw/zinc/25/99/48/608259948.db2.gz ZXSSVRKJKKINQT-UHFFFAOYSA-N -1 3 398.427 0.816 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)CCCO ZINC000826184765 608265942 /nfs/dbraw/zinc/26/59/42/608265942.db2.gz JUHPGQUVAJPYGP-UHFFFAOYSA-N -1 3 376.417 0.729 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)CCCO ZINC000826184765 608265943 /nfs/dbraw/zinc/26/59/43/608265943.db2.gz JUHPGQUVAJPYGP-UHFFFAOYSA-N -1 3 376.417 0.729 20 0 GCADHM COCc1cc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ncn1 ZINC000826164424 608268084 /nfs/dbraw/zinc/26/80/84/608268084.db2.gz YZOKJAOEMAZUQB-UHFFFAOYSA-N -1 3 396.415 0.552 20 0 GCADHM COCc1cc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ncn1 ZINC000826164424 608268086 /nfs/dbraw/zinc/26/80/86/608268086.db2.gz YZOKJAOEMAZUQB-UHFFFAOYSA-N -1 3 396.415 0.552 20 0 GCADHM C[C@@H](NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824488990 608268311 /nfs/dbraw/zinc/26/83/11/608268311.db2.gz HVWCLJZZAOWCHB-LLVKDONJSA-N -1 3 398.427 0.654 20 0 GCADHM C[C@@H](NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824488990 608268313 /nfs/dbraw/zinc/26/83/13/608268313.db2.gz HVWCLJZZAOWCHB-LLVKDONJSA-N -1 3 398.427 0.654 20 0 GCADHM C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824520936 608273929 /nfs/dbraw/zinc/27/39/29/608273929.db2.gz GHRMAUONLPPXCU-JTQLQIEISA-N -1 3 384.352 0.760 20 0 GCADHM C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824520936 608273931 /nfs/dbraw/zinc/27/39/31/608273931.db2.gz GHRMAUONLPPXCU-JTQLQIEISA-N -1 3 384.352 0.760 20 0 GCADHM CS(=O)(=O)NC[C@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826223648 608274094 /nfs/dbraw/zinc/27/40/94/608274094.db2.gz VAVLSQKCZZYADW-GFCCVEGCSA-N -1 3 391.501 0.906 20 0 GCADHM CS(=O)(=O)NC[C@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826223648 608274096 /nfs/dbraw/zinc/27/40/96/608274096.db2.gz VAVLSQKCZZYADW-GFCCVEGCSA-N -1 3 391.501 0.906 20 0 GCADHM Cn1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c(-c2ccccc2)n1 ZINC000826358741 608274628 /nfs/dbraw/zinc/27/46/28/608274628.db2.gz GSBGJFHHLHAOFB-UHFFFAOYSA-N -1 3 379.384 0.903 20 0 GCADHM Cn1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c(-c2ccccc2)n1 ZINC000826358741 608274629 /nfs/dbraw/zinc/27/46/29/608274629.db2.gz GSBGJFHHLHAOFB-UHFFFAOYSA-N -1 3 379.384 0.903 20 0 GCADHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826333765 608278960 /nfs/dbraw/zinc/27/89/60/608278960.db2.gz UJOSZUAAUOXISN-CQSZACIVSA-N -1 3 397.443 0.624 20 0 GCADHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826333765 608278963 /nfs/dbraw/zinc/27/89/63/608278963.db2.gz UJOSZUAAUOXISN-CQSZACIVSA-N -1 3 397.443 0.624 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(c3cc(C)nc4ncnn43)CC2)n1 ZINC000826274938 608279976 /nfs/dbraw/zinc/27/99/76/608279976.db2.gz JJVRAVYBYUYHJJ-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(c3cc(C)nc4ncnn43)CC2)n1 ZINC000826274938 608279978 /nfs/dbraw/zinc/27/99/78/608279978.db2.gz JJVRAVYBYUYHJJ-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826083601 608287769 /nfs/dbraw/zinc/28/77/69/608287769.db2.gz OEZBPLPAMGEUBG-LBPRGKRZSA-N -1 3 377.474 0.659 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826083601 608287770 /nfs/dbraw/zinc/28/77/70/608287770.db2.gz OEZBPLPAMGEUBG-LBPRGKRZSA-N -1 3 377.474 0.659 20 0 GCADHM Cn1cc(N2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CC2=O)cn1 ZINC000826362025 608294004 /nfs/dbraw/zinc/29/40/04/608294004.db2.gz ACJACJGXKAFKHM-UHFFFAOYSA-N -1 3 379.428 0.727 20 0 GCADHM Cn1cc(N2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CC2=O)cn1 ZINC000826362025 608294005 /nfs/dbraw/zinc/29/40/05/608294005.db2.gz ACJACJGXKAFKHM-UHFFFAOYSA-N -1 3 379.428 0.727 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H]2COC3(CCCC3)O2)c(-c2nnn[n-]2)c1 ZINC000826395320 608295358 /nfs/dbraw/zinc/29/53/58/608295358.db2.gz WLPQMTGCADXJQK-SNVBAGLBSA-N -1 3 380.430 0.612 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H]2COC3(CCCC3)O2)c(-c2nn[n-]n2)c1 ZINC000826395320 608295359 /nfs/dbraw/zinc/29/53/59/608295359.db2.gz WLPQMTGCADXJQK-SNVBAGLBSA-N -1 3 380.430 0.612 20 0 GCADHM C[C@]1([C@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)NC(=O)NC1=O ZINC000824817699 608296164 /nfs/dbraw/zinc/29/61/64/608296164.db2.gz QKPPKDFFNQRJRF-HXPMCKFVSA-N -1 3 396.455 0.955 20 0 GCADHM C[C@]1([C@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)NC(=O)NC1=O ZINC000824817699 608296167 /nfs/dbraw/zinc/29/61/67/608296167.db2.gz QKPPKDFFNQRJRF-HXPMCKFVSA-N -1 3 396.455 0.955 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC(S(N)(=O)=O)CC1 ZINC000824147543 608300628 /nfs/dbraw/zinc/30/06/28/608300628.db2.gz FAQWUNDJIQMDEX-UHFFFAOYSA-N -1 3 396.477 0.708 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC(S(N)(=O)=O)CC1 ZINC000824147543 608300630 /nfs/dbraw/zinc/30/06/30/608300630.db2.gz FAQWUNDJIQMDEX-UHFFFAOYSA-N -1 3 396.477 0.708 20 0 GCADHM CSCC[C@H]1NC(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000826228225 608315301 /nfs/dbraw/zinc/31/53/01/608315301.db2.gz IUXYVZKETZNYCQ-LLVKDONJSA-N -1 3 375.414 0.479 20 0 GCADHM CSCC[C@H]1NC(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000826228225 608315303 /nfs/dbraw/zinc/31/53/03/608315303.db2.gz IUXYVZKETZNYCQ-LLVKDONJSA-N -1 3 375.414 0.479 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCC(NC(N)=O)CC2)c1-c1nnn[n-]1 ZINC000826332536 608315888 /nfs/dbraw/zinc/31/58/88/608315888.db2.gz XDFQRZPTHFBFGM-UHFFFAOYSA-N -1 3 381.444 0.994 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000826455709 608317599 /nfs/dbraw/zinc/31/75/99/608317599.db2.gz AHSCLTVPOXCSQO-OAHLLOKOSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000826455709 608317601 /nfs/dbraw/zinc/31/76/01/608317601.db2.gz AHSCLTVPOXCSQO-OAHLLOKOSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826453768 608317839 /nfs/dbraw/zinc/31/78/39/608317839.db2.gz YWRJPDFIUJODFE-UHFFFAOYSA-N -1 3 397.361 0.744 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826453768 608317842 /nfs/dbraw/zinc/31/78/42/608317842.db2.gz YWRJPDFIUJODFE-UHFFFAOYSA-N -1 3 397.361 0.744 20 0 GCADHM NC(=O)[C@H]1CSCCN1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826391146 608322789 /nfs/dbraw/zinc/32/27/89/608322789.db2.gz YAGLKQOTZYVFLW-GFCCVEGCSA-N -1 3 395.876 0.751 20 0 GCADHM NC(=O)[C@H]1CSCCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826391146 608322791 /nfs/dbraw/zinc/32/27/91/608322791.db2.gz YAGLKQOTZYVFLW-GFCCVEGCSA-N -1 3 395.876 0.751 20 0 GCADHM O=C(CN1CCNC(=O)c2ccccc21)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826411199 608324611 /nfs/dbraw/zinc/32/46/11/608324611.db2.gz OKYRKWZIWMCTQN-UHFFFAOYSA-N -1 3 377.408 0.733 20 0 GCADHM O=C(CN1CCNC(=O)c2ccccc21)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826411199 608324612 /nfs/dbraw/zinc/32/46/12/608324612.db2.gz OKYRKWZIWMCTQN-UHFFFAOYSA-N -1 3 377.408 0.733 20 0 GCADHM CC(=O)N1CCC(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000823973587 608326332 /nfs/dbraw/zinc/32/63/32/608326332.db2.gz LFWHNIIIYOBJDI-UHFFFAOYSA-N -1 3 382.421 0.436 20 0 GCADHM CC(=O)N1CCC(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000823973587 608326334 /nfs/dbraw/zinc/32/63/34/608326334.db2.gz LFWHNIIIYOBJDI-UHFFFAOYSA-N -1 3 382.421 0.436 20 0 GCADHM C[C@@H](CN1CCOCC1)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824421747 608327952 /nfs/dbraw/zinc/32/79/52/608327952.db2.gz UMOCEHLSOQKHRI-NSHDSACASA-N -1 3 384.437 0.146 20 0 GCADHM C[C@@H](CN1CCOCC1)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824421747 608327954 /nfs/dbraw/zinc/32/79/54/608327954.db2.gz UMOCEHLSOQKHRI-NSHDSACASA-N -1 3 384.437 0.146 20 0 GCADHM NC(=O)CC1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826390811 608328878 /nfs/dbraw/zinc/32/88/78/608328878.db2.gz MUECIDIGTWRYFM-UHFFFAOYSA-N -1 3 382.421 0.423 20 0 GCADHM NC(=O)CC1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826390811 608328879 /nfs/dbraw/zinc/32/88/79/608328879.db2.gz MUECIDIGTWRYFM-UHFFFAOYSA-N -1 3 382.421 0.423 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCNc1cnccn1 ZINC000826485691 608329043 /nfs/dbraw/zinc/32/90/43/608329043.db2.gz AKQYEBAYQSMSHJ-UHFFFAOYSA-N -1 3 378.393 0.327 20 0 GCADHM NC(=O)N[C@@H](CO)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826391774 608329727 /nfs/dbraw/zinc/32/97/27/608329727.db2.gz BCNYWCIUXFVMHX-HNNXBMFYSA-N -1 3 381.396 0.179 20 0 GCADHM NC(=O)N[C@@H](CO)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826391774 608329729 /nfs/dbraw/zinc/32/97/29/608329729.db2.gz BCNYWCIUXFVMHX-HNNXBMFYSA-N -1 3 381.396 0.179 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)Cc1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC000826328950 608332044 /nfs/dbraw/zinc/33/20/44/608332044.db2.gz KMXFIXNPIGOVCM-GFCCVEGCSA-N -1 3 392.420 0.340 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC000826328950 608332046 /nfs/dbraw/zinc/33/20/46/608332046.db2.gz KMXFIXNPIGOVCM-GFCCVEGCSA-N -1 3 392.420 0.340 20 0 GCADHM Cc1cccn2c(=O)c(C(=O)OCCNc3ncccc3-c3nnn[n-]3)cnc12 ZINC000826308256 608332259 /nfs/dbraw/zinc/33/22/59/608332259.db2.gz QEWLETHHIBEDNS-UHFFFAOYSA-N -1 3 392.379 0.847 20 0 GCADHM Cc1cccn2c(=O)c(C(=O)OCCNc3ncccc3-c3nn[n-]n3)cnc12 ZINC000826308256 608332261 /nfs/dbraw/zinc/33/22/61/608332261.db2.gz QEWLETHHIBEDNS-UHFFFAOYSA-N -1 3 392.379 0.847 20 0 GCADHM CCOC(=O)[C@@H]1CN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC000825499514 608334467 /nfs/dbraw/zinc/33/44/67/608334467.db2.gz NWLKIFOHYBANGA-ZDUSSCGKSA-N -1 3 399.404 0.100 20 0 GCADHM CCOC(=O)[C@@H]1CN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC000825499514 608334469 /nfs/dbraw/zinc/33/44/69/608334469.db2.gz NWLKIFOHYBANGA-ZDUSSCGKSA-N -1 3 399.404 0.100 20 0 GCADHM CSC[C@](C)(O)CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826227525 608334673 /nfs/dbraw/zinc/33/46/73/608334673.db2.gz SLXVPZHKRYBFFV-CYBMUJFWSA-N -1 3 375.451 0.539 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NC[C@H](CO)Cc1ccco1 ZINC000826486027 608334990 /nfs/dbraw/zinc/33/49/90/608334990.db2.gz MDGHMUFWEXNDHT-LLVKDONJSA-N -1 3 395.416 0.869 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NC[C@H](CO)Cc1ccco1 ZINC000826486027 608334992 /nfs/dbraw/zinc/33/49/92/608334992.db2.gz MDGHMUFWEXNDHT-LLVKDONJSA-N -1 3 395.416 0.869 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N(CCO)Cc1cccnc1 ZINC000826485334 608335288 /nfs/dbraw/zinc/33/52/88/608335288.db2.gz MIMPRNHWXUOEJZ-UHFFFAOYSA-N -1 3 392.416 0.725 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N(CCO)Cc1cccnc1 ZINC000826485334 608335289 /nfs/dbraw/zinc/33/52/89/608335289.db2.gz MIMPRNHWXUOEJZ-UHFFFAOYSA-N -1 3 392.416 0.725 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1=O ZINC000824901627 608335691 /nfs/dbraw/zinc/33/56/91/608335691.db2.gz ZOGOWVYNHHILRO-IUPBHXKESA-N -1 3 394.432 0.435 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000826485516 608337006 /nfs/dbraw/zinc/33/70/06/608337006.db2.gz UFJBPEJCIZYZPM-CYBMUJFWSA-N -1 3 392.420 0.764 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000826485516 608337009 /nfs/dbraw/zinc/33/70/09/608337009.db2.gz UFJBPEJCIZYZPM-CYBMUJFWSA-N -1 3 392.420 0.764 20 0 GCADHM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826390021 608337746 /nfs/dbraw/zinc/33/77/46/608337746.db2.gz OCMGENDKJKILMF-WCQYABFASA-N -1 3 382.421 0.469 20 0 GCADHM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826390021 608337747 /nfs/dbraw/zinc/33/77/47/608337747.db2.gz OCMGENDKJKILMF-WCQYABFASA-N -1 3 382.421 0.469 20 0 GCADHM CS(=O)(=O)Nc1ccc(OCCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826224320 608337940 /nfs/dbraw/zinc/33/79/40/608337940.db2.gz ZQJREPSFRFDHGP-UHFFFAOYSA-N -1 3 391.413 0.375 20 0 GCADHM CS(=O)(=O)Nc1ccc(OCCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826224320 608337942 /nfs/dbraw/zinc/33/79/42/608337942.db2.gz ZQJREPSFRFDHGP-UHFFFAOYSA-N -1 3 391.413 0.375 20 0 GCADHM Cc1nc2n(n1)CCN(S(=O)(=O)Cc1cc(-c3nnn[n-]3)ccc1F)C2 ZINC000826329127 608338173 /nfs/dbraw/zinc/33/81/73/608338173.db2.gz QWQQBSGWROPTKS-UHFFFAOYSA-N -1 3 378.393 0.251 20 0 GCADHM Cc1nc2n(n1)CCN(S(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)C2 ZINC000826329127 608338174 /nfs/dbraw/zinc/33/81/74/608338174.db2.gz QWQQBSGWROPTKS-UHFFFAOYSA-N -1 3 378.393 0.251 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@H]1CCCn2ncnc21 ZINC000826485929 608338672 /nfs/dbraw/zinc/33/86/72/608338672.db2.gz IVWUYODQCHLACQ-LBPRGKRZSA-N -1 3 378.393 0.552 20 0 GCADHM CCC(=O)N1CC[C@@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000825034730 608339313 /nfs/dbraw/zinc/33/93/13/608339313.db2.gz ODILCGMYRPOBAH-GFCCVEGCSA-N -1 3 382.421 0.436 20 0 GCADHM CCC(=O)N1CC[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000825034730 608339315 /nfs/dbraw/zinc/33/93/15/608339315.db2.gz ODILCGMYRPOBAH-GFCCVEGCSA-N -1 3 382.421 0.436 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@H]2CCCC[C@H]2N1 ZINC000826481320 608339696 /nfs/dbraw/zinc/33/96/96/608339696.db2.gz PQGBQFRWLRLEHC-KGLIPLIRSA-N -1 3 394.432 0.579 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@H]2CCCC[C@H]2N1 ZINC000826481320 608339698 /nfs/dbraw/zinc/33/96/98/608339698.db2.gz PQGBQFRWLRLEHC-KGLIPLIRSA-N -1 3 394.432 0.579 20 0 GCADHM Cn1[nH]cnc1=NC(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826366988 608339886 /nfs/dbraw/zinc/33/98/86/608339886.db2.gz GVGUVRRXZKYDAR-UHFFFAOYSA-N -1 3 396.415 0.300 20 0 GCADHM Cn1[nH]cnc1=NC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826366988 608339888 /nfs/dbraw/zinc/33/98/88/608339888.db2.gz GVGUVRRXZKYDAR-UHFFFAOYSA-N -1 3 396.415 0.300 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@@H](C)C1 ZINC000823975138 608340018 /nfs/dbraw/zinc/34/00/18/608340018.db2.gz VBTZSYZLBFBKPM-ZUZCIYMTSA-N -1 3 396.448 0.682 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@@H](C)C1 ZINC000823975138 608340021 /nfs/dbraw/zinc/34/00/21/608340021.db2.gz VBTZSYZLBFBKPM-ZUZCIYMTSA-N -1 3 396.448 0.682 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCNc1ccccn1 ZINC000826486237 608340212 /nfs/dbraw/zinc/34/02/12/608340212.db2.gz UZUWKWVHPYHLGQ-UHFFFAOYSA-N -1 3 377.405 0.932 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824469833 608340364 /nfs/dbraw/zinc/34/03/64/608340364.db2.gz CXDKXRBNLGIRCU-SECBINFHSA-N -1 3 397.370 0.921 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824469833 608340366 /nfs/dbraw/zinc/34/03/66/608340366.db2.gz CXDKXRBNLGIRCU-SECBINFHSA-N -1 3 397.370 0.921 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000823975365 608340403 /nfs/dbraw/zinc/34/04/03/608340403.db2.gz XOAUBSJPRVDNQM-GFCCVEGCSA-N -1 3 396.448 0.636 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000823975365 608340404 /nfs/dbraw/zinc/34/04/04/608340404.db2.gz XOAUBSJPRVDNQM-GFCCVEGCSA-N -1 3 396.448 0.636 20 0 GCADHM CCN(CCS(C)(=O)=O)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825425002 608341058 /nfs/dbraw/zinc/34/10/58/608341058.db2.gz XCMADMBQZDJAHL-UHFFFAOYSA-N -1 3 391.450 0.202 20 0 GCADHM CCN(CCS(C)(=O)=O)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825425002 608341059 /nfs/dbraw/zinc/34/10/59/608341059.db2.gz XCMADMBQZDJAHL-UHFFFAOYSA-N -1 3 391.450 0.202 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826060636 608342284 /nfs/dbraw/zinc/34/22/84/608342284.db2.gz PZSXYMFIMFETNE-AAEUAGOBSA-N -1 3 382.421 0.340 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826060636 608342285 /nfs/dbraw/zinc/34/22/85/608342285.db2.gz PZSXYMFIMFETNE-AAEUAGOBSA-N -1 3 382.421 0.340 20 0 GCADHM CCC[C@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1CCOC ZINC000825261436 608342484 /nfs/dbraw/zinc/34/24/84/608342484.db2.gz ZETRQHXBFOYHEG-AWEZNQCLSA-N -1 3 394.501 0.988 20 0 GCADHM CCC[C@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1CCOC ZINC000825261436 608342485 /nfs/dbraw/zinc/34/24/85/608342485.db2.gz ZETRQHXBFOYHEG-AWEZNQCLSA-N -1 3 394.501 0.988 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000825971452 608342806 /nfs/dbraw/zinc/34/28/06/608342806.db2.gz GYCVUEGAPNWGRI-UHFFFAOYSA-N -1 3 397.370 0.702 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000825971452 608342807 /nfs/dbraw/zinc/34/28/07/608342807.db2.gz GYCVUEGAPNWGRI-UHFFFAOYSA-N -1 3 397.370 0.702 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826496079 608343020 /nfs/dbraw/zinc/34/30/20/608343020.db2.gz KIJOYXOCSLFZLH-UHFFFAOYSA-N -1 3 377.348 0.945 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826496079 608343023 /nfs/dbraw/zinc/34/30/23/608343023.db2.gz KIJOYXOCSLFZLH-UHFFFAOYSA-N -1 3 377.348 0.945 20 0 GCADHM O=C1CC[C@@H]2CN(S(=O)(=O)Cc3cc(-c4nnn[n-]4)ccc3F)CCN12 ZINC000826480156 608343085 /nfs/dbraw/zinc/34/30/85/608343085.db2.gz SDLKNSMEDWJFIL-GFCCVEGCSA-N -1 3 380.405 0.142 20 0 GCADHM O=C1CC[C@@H]2CN(S(=O)(=O)Cc3cc(-c4nn[n-]n4)ccc3F)CCN12 ZINC000826480156 608343087 /nfs/dbraw/zinc/34/30/87/608343087.db2.gz SDLKNSMEDWJFIL-GFCCVEGCSA-N -1 3 380.405 0.142 20 0 GCADHM O=S(=O)(N[C@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826487680 608345170 /nfs/dbraw/zinc/34/51/70/608345170.db2.gz WNRIUUGYSIDSJQ-AWEZNQCLSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(N[C@H](CO)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826487680 608345172 /nfs/dbraw/zinc/34/51/72/608345172.db2.gz WNRIUUGYSIDSJQ-AWEZNQCLSA-N -1 3 377.401 0.888 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)n1 ZINC000824142466 608354201 /nfs/dbraw/zinc/35/42/01/608354201.db2.gz UIHFXFDRQGKBKY-LBPRGKRZSA-N -1 3 399.459 0.229 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)n1 ZINC000824148521 608357879 /nfs/dbraw/zinc/35/78/79/608357879.db2.gz YJAYGCWGERUXJG-JTQLQIEISA-N -1 3 398.431 0.154 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC2(C1)OCCO2 ZINC000825621385 608359954 /nfs/dbraw/zinc/35/99/54/608359954.db2.gz RQTYZQAIZZNTKR-UHFFFAOYSA-N -1 3 388.384 0.179 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC2(C1)OCCO2 ZINC000825621385 608359955 /nfs/dbraw/zinc/35/99/55/608359955.db2.gz RQTYZQAIZZNTKR-UHFFFAOYSA-N -1 3 388.384 0.179 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C3OCCO3)C2)c1-c1nnn[n-]1 ZINC000826298926 608360150 /nfs/dbraw/zinc/36/01/50/608360150.db2.gz LEUCUBFAUBMBKF-GFCCVEGCSA-N -1 3 386.412 0.725 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C3OCCO3)C2)c1-c1nn[n-]n1 ZINC000826298926 608360152 /nfs/dbraw/zinc/36/01/52/608360152.db2.gz LEUCUBFAUBMBKF-GFCCVEGCSA-N -1 3 386.412 0.725 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000826453147 608360410 /nfs/dbraw/zinc/36/04/10/608360410.db2.gz YCLJLWDSIMIUSV-NSHDSACASA-N -1 3 390.375 0.556 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000826453147 608360412 /nfs/dbraw/zinc/36/04/12/608360412.db2.gz YCLJLWDSIMIUSV-NSHDSACASA-N -1 3 390.375 0.556 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C[C@H]1O ZINC000824967027 608361211 /nfs/dbraw/zinc/36/12/11/608361211.db2.gz GQEDZADCMCHBFV-GMSGAONNSA-N -1 3 382.327 0.246 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C[C@H]1O ZINC000824967027 608361213 /nfs/dbraw/zinc/36/12/13/608361213.db2.gz GQEDZADCMCHBFV-GMSGAONNSA-N -1 3 382.327 0.246 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1COC(C)(C)O1 ZINC000825620647 608361933 /nfs/dbraw/zinc/36/19/33/608361933.db2.gz 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O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826435381 608365430 /nfs/dbraw/zinc/36/54/30/608365430.db2.gz NALLBNOURAGOGE-LLVKDONJSA-N -1 3 390.375 0.746 20 0 GCADHM O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826435381 608365432 /nfs/dbraw/zinc/36/54/32/608365432.db2.gz NALLBNOURAGOGE-LLVKDONJSA-N -1 3 390.375 0.746 20 0 GCADHM Cc1noc([C@@H]2CCCN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)C2)n1 ZINC000826339783 608371678 /nfs/dbraw/zinc/37/16/78/608371678.db2.gz SWWLLLUPKOUOEU-SNVBAGLBSA-N -1 3 390.429 0.590 20 0 GCADHM Cc1noc([C@@H]2CCCN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)C2)n1 ZINC000826339783 608371680 /nfs/dbraw/zinc/37/16/80/608371680.db2.gz SWWLLLUPKOUOEU-SNVBAGLBSA-N -1 3 390.429 0.590 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000826172482 608373227 /nfs/dbraw/zinc/37/32/27/608373227.db2.gz ITYIVCAKBMTIHT-UHFFFAOYSA-N -1 3 390.381 0.275 20 0 GCADHM O=C1CCc2cc(OC[C@H](O)CNc3ccc(-c4nnn[n-]4)nc3)ccc2N1 ZINC000826480950 608376549 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0.971 20 0 GCADHM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825395874 608384038 /nfs/dbraw/zinc/38/40/38/608384038.db2.gz XHXDBGGJGXFDTI-LBPRGKRZSA-N -1 3 396.448 0.131 20 0 GCADHM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825395874 608384040 /nfs/dbraw/zinc/38/40/40/608384040.db2.gz XHXDBGGJGXFDTI-LBPRGKRZSA-N -1 3 396.448 0.131 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000826394045 608385588 /nfs/dbraw/zinc/38/55/88/608385588.db2.gz URUTURVHEINVFM-GFCCVEGCSA-N -1 3 390.429 0.170 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000826394045 608385589 /nfs/dbraw/zinc/38/55/89/608385589.db2.gz URUTURVHEINVFM-GFCCVEGCSA-N -1 3 390.429 0.170 20 0 GCADHM CC(C)c1nc(N(C)C)nc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)n1 ZINC000824359598 608391170 /nfs/dbraw/zinc/39/11/70/608391170.db2.gz XRENOGJPYLMXSM-UHFFFAOYSA-N -1 3 386.468 0.615 20 0 GCADHM CN(C)C(=O)c1cc(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cn1C 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0.762 20 0 GCADHM CCc1nc(N)nc(SCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825750841 608413872 /nfs/dbraw/zinc/41/38/72/608413872.db2.gz YOFLPPXCHNFSEL-UHFFFAOYSA-N -1 3 392.470 0.762 20 0 GCADHM CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826145981 608421879 /nfs/dbraw/zinc/42/18/79/608421879.db2.gz OIJUWVOEGIGNLO-HUUCEWRRSA-N -1 3 386.460 0.908 20 0 GCADHM CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826145981 608421880 /nfs/dbraw/zinc/42/18/80/608421880.db2.gz OIJUWVOEGIGNLO-HUUCEWRRSA-N -1 3 386.460 0.908 20 0 GCADHM CO[C@H]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826145979 608421912 /nfs/dbraw/zinc/42/19/12/608421912.db2.gz OIJUWVOEGIGNLO-CABCVRRESA-N -1 3 386.460 0.908 20 0 GCADHM CO[C@H]1CCC[C@@H]1CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826145979 608421913 /nfs/dbraw/zinc/42/19/13/608421913.db2.gz OIJUWVOEGIGNLO-CABCVRRESA-N -1 3 386.460 0.908 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NC[C@@]1(CCO)CCOC1 ZINC000826485689 608423034 /nfs/dbraw/zinc/42/30/34/608423034.db2.gz AIWMPKZZACLGJV-OAHLLOKOSA-N -1 3 385.421 0.214 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NC[C@@]1(CCO)CCOC1 ZINC000826485689 608423035 /nfs/dbraw/zinc/42/30/35/608423035.db2.gz AIWMPKZZACLGJV-OAHLLOKOSA-N -1 3 385.421 0.214 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c1-c1nnn[n-]1 ZINC000826302745 608424040 /nfs/dbraw/zinc/42/40/40/608424040.db2.gz RIAJADOFHIHHTP-NEPJUHHUSA-N -1 3 394.457 0.089 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c1-c1nn[n-]n1 ZINC000826302745 608424042 /nfs/dbraw/zinc/42/40/42/608424042.db2.gz RIAJADOFHIHHTP-NEPJUHHUSA-N -1 3 394.457 0.089 20 0 GCADHM NC(=O)c1cc(CNC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)on1 ZINC000826392519 608426778 /nfs/dbraw/zinc/42/67/78/608426778.db2.gz BECLOUUTACSDOY-UHFFFAOYSA-N -1 3 394.395 0.953 20 0 GCADHM NC(=O)c1cc(CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)on1 ZINC000826392519 608426780 /nfs/dbraw/zinc/42/67/80/608426780.db2.gz BECLOUUTACSDOY-UHFFFAOYSA-N -1 3 394.395 0.953 20 0 GCADHM COc1cccc(OCCN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826217338 608434322 /nfs/dbraw/zinc/43/43/22/608434322.db2.gz ILIMZANGDCGJNA-UHFFFAOYSA-N -1 3 382.428 0.866 20 0 GCADHM COc1cccc(OCCN2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)c1 ZINC000826217338 608434323 /nfs/dbraw/zinc/43/43/23/608434323.db2.gz ILIMZANGDCGJNA-UHFFFAOYSA-N -1 3 382.428 0.866 20 0 GCADHM CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@@H]1N(C)C ZINC000826227948 608443734 /nfs/dbraw/zinc/44/37/34/608443734.db2.gz ZWPPWDCHLAPZJP-NWDGAFQWSA-N -1 3 386.478 0.672 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)n1cccn1 ZINC000824040910 608443854 /nfs/dbraw/zinc/44/38/54/608443854.db2.gz VBDIIOLXWDQLDH-LLVKDONJSA-N -1 3 387.375 0.965 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)n1cccn1 ZINC000824040910 608443855 /nfs/dbraw/zinc/44/38/55/608443855.db2.gz VBDIIOLXWDQLDH-LLVKDONJSA-N -1 3 387.375 0.965 20 0 GCADHM CCOC(=O)c1cnc(C)c(C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000825565575 608445818 /nfs/dbraw/zinc/44/58/18/608445818.db2.gz VXTUYMIDMYMBAE-UHFFFAOYSA-N -1 3 396.411 0.984 20 0 GCADHM CCOC(=O)c1cnc(C)c(C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000825565575 608445820 /nfs/dbraw/zinc/44/58/20/608445820.db2.gz VXTUYMIDMYMBAE-UHFFFAOYSA-N -1 3 396.411 0.984 20 0 GCADHM c1nn2c(c1-c1nnn[n-]1)NC[C@@H](CNc1cccc(CN3CCOCC3)n1)C2 ZINC000826515618 608451929 /nfs/dbraw/zinc/45/19/29/608451929.db2.gz FEBQCUXJKHXBNM-CYBMUJFWSA-N -1 3 396.459 0.444 20 0 GCADHM c1nn2c(c1-c1nn[n-]n1)NC[C@@H](CNc1cccc(CN3CCOCC3)n1)C2 ZINC000826515618 608451932 /nfs/dbraw/zinc/45/19/32/608451932.db2.gz FEBQCUXJKHXBNM-CYBMUJFWSA-N -1 3 396.459 0.444 20 0 GCADHM CCN1CCOC[C@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825465678 608454899 /nfs/dbraw/zinc/45/48/99/608454899.db2.gz PPZSLCDVQGIHCR-NSHDSACASA-N -1 3 378.389 0.279 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCCc2cnccn2)cc1-c1nnn[n-]1 ZINC000824324119 608470163 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/nfs/dbraw/zinc/60/99/99/608609999.db2.gz UPKRHHUIKHBVPO-UHFFFAOYSA-N -1 3 388.432 0.387 20 0 GCADHM CC(=O)NCCNC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823994957 608610002 /nfs/dbraw/zinc/61/00/02/608610002.db2.gz UPKRHHUIKHBVPO-UHFFFAOYSA-N -1 3 388.432 0.387 20 0 GCADHM CS(=O)(=O)N(CC1CCS(=O)(=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826223026 608615794 /nfs/dbraw/zinc/61/57/94/608615794.db2.gz YUDNXHUPMILSRC-UHFFFAOYSA-N -1 3 385.471 0.458 20 0 GCADHM CS(=O)(=O)N(CC1CCS(=O)(=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826223026 608615796 /nfs/dbraw/zinc/61/57/96/608615796.db2.gz YUDNXHUPMILSRC-UHFFFAOYSA-N -1 3 385.471 0.458 20 0 GCADHM CN(CC(C)(CO)CO)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825897658 608617862 /nfs/dbraw/zinc/61/78/62/608617862.db2.gz JZMSVFZGMXIMPK-UHFFFAOYSA-N -1 3 375.838 0.132 20 0 GCADHM COC[C@@](C)(O)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826148307 608639771 /nfs/dbraw/zinc/63/97/71/608639771.db2.gz FKMYXNHBXNYJST-QWQCLYJRSA-N -1 3 376.417 0.465 20 0 GCADHM COC[C@@](C)(O)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826148307 608639773 /nfs/dbraw/zinc/63/97/73/608639773.db2.gz FKMYXNHBXNYJST-QWQCLYJRSA-N -1 3 376.417 0.465 20 0 GCADHM COC[C@](C)(NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C(=O)OC ZINC000826148875 608642483 /nfs/dbraw/zinc/64/24/83/608642483.db2.gz SRNPVJIODBOASF-HNNXBMFYSA-N -1 3 382.808 0.626 20 0 GCADHM COC[C@](C)(NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C(=O)OC ZINC000826148875 608642484 /nfs/dbraw/zinc/64/24/84/608642484.db2.gz SRNPVJIODBOASF-HNNXBMFYSA-N -1 3 382.808 0.626 20 0 GCADHM NC(=O)C1(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)CCC1 ZINC000826388590 608642734 /nfs/dbraw/zinc/64/27/34/608642734.db2.gz DXBIPCJGKICABC-UHFFFAOYSA-N -1 3 385.428 0.724 20 0 GCADHM NC(=O)C1(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)CCC1 ZINC000826388590 608642735 /nfs/dbraw/zinc/64/27/35/608642735.db2.gz DXBIPCJGKICABC-UHFFFAOYSA-N -1 3 385.428 0.724 20 0 GCADHM CCN(CC)C(=O)CN1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000825407131 608643368 /nfs/dbraw/zinc/64/33/68/608643368.db2.gz ZMXTUOSCDNSIPY-UHFFFAOYSA-N -1 3 375.452 0.992 20 0 GCADHM CCN(CC)C(=O)CN1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000825407131 608643369 /nfs/dbraw/zinc/64/33/69/608643369.db2.gz ZMXTUOSCDNSIPY-UHFFFAOYSA-N -1 3 375.452 0.992 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CSC(=O)N1 ZINC000826481612 608643623 /nfs/dbraw/zinc/64/36/23/608643623.db2.gz CDFYQUUECVRDBV-MCIGGMRASA-N -1 3 389.441 0.893 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CSC(=O)N1 ZINC000826481612 608643626 /nfs/dbraw/zinc/64/36/26/608643626.db2.gz CDFYQUUECVRDBV-MCIGGMRASA-N -1 3 389.441 0.893 20 0 GCADHM Cc1nc(CN2CCN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)no1 ZINC000826326048 608690941 /nfs/dbraw/zinc/69/09/41/608690941.db2.gz XFCSHKDUIAWMHX-UHFFFAOYSA-N -1 3 380.416 0.524 20 0 GCADHM Cc1nc(CN2CCN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)no1 ZINC000826326048 608690943 /nfs/dbraw/zinc/69/09/43/608690943.db2.gz XFCSHKDUIAWMHX-UHFFFAOYSA-N -1 3 380.416 0.524 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)cs1 ZINC000826327353 608779595 /nfs/dbraw/zinc/77/95/95/608779595.db2.gz DSDOVGGJPAEKKQ-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)cs1 ZINC000826327353 608779596 /nfs/dbraw/zinc/77/95/96/608779596.db2.gz DSDOVGGJPAEKKQ-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM C[C@H](C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)N1C(=O)CCC1=O ZINC000824039966 608810647 /nfs/dbraw/zinc/81/06/47/608810647.db2.gz JTWYNFFZVCAABC-SNVBAGLBSA-N -1 3 394.395 0.411 20 0 GCADHM C[C@H](C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)N1C(=O)CCC1=O ZINC000824039966 608810650 /nfs/dbraw/zinc/81/06/50/608810650.db2.gz JTWYNFFZVCAABC-SNVBAGLBSA-N -1 3 394.395 0.411 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@@H](O)C1CCOCC1 ZINC000826443955 608812690 /nfs/dbraw/zinc/81/26/90/608812690.db2.gz LDKQRAVGMYGNTH-INIZCTEOSA-N -1 3 383.412 0.661 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@@H](O)C1CCOCC1 ZINC000826443955 608812691 /nfs/dbraw/zinc/81/26/91/608812691.db2.gz LDKQRAVGMYGNTH-INIZCTEOSA-N -1 3 383.412 0.661 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1ccc2nnnn2c1 ZINC000826443863 608812930 /nfs/dbraw/zinc/81/29/30/608812930.db2.gz HJSQKJCRLJJOPJ-UHFFFAOYSA-N -1 3 387.367 0.625 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccc2nnnn2c1 ZINC000826443863 608812932 /nfs/dbraw/zinc/81/29/32/608812932.db2.gz HJSQKJCRLJJOPJ-UHFFFAOYSA-N -1 3 387.367 0.625 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cccnc1OCC(F)F ZINC000826395576 608821051 /nfs/dbraw/zinc/82/10/51/608821051.db2.gz JQHADBLHLSIUQW-UHFFFAOYSA-N -1 3 380.315 0.541 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cccnc1OCC(F)F ZINC000826395576 608821058 /nfs/dbraw/zinc/82/10/58/608821058.db2.gz JQHADBLHLSIUQW-UHFFFAOYSA-N -1 3 380.315 0.541 20 0 GCADHM NC(=O)[C@H]1COCCN1C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826389576 608822361 /nfs/dbraw/zinc/82/23/61/608822361.db2.gz BEHQBEWLHJJHPH-CQSZACIVSA-N -1 3 398.379 0.365 20 0 GCADHM NC(=O)[C@@H]1COCCN1C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826389683 608826249 /nfs/dbraw/zinc/82/62/49/608826249.db2.gz FHLPYMPHBSUCSV-INIZCTEOSA-N -1 3 393.407 0.937 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cnc(N(C)C)s1 ZINC000824999009 608837882 /nfs/dbraw/zinc/83/78/82/608837882.db2.gz CHTLFEIMUQPCTQ-LLVKDONJSA-N -1 3 386.489 0.890 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cnc(N(C)C)s1 ZINC000824999009 608837885 /nfs/dbraw/zinc/83/78/85/608837885.db2.gz CHTLFEIMUQPCTQ-LLVKDONJSA-N -1 3 386.489 0.890 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1nccn2c(Br)cnc12 ZINC000826395943 608861318 /nfs/dbraw/zinc/86/13/18/608861318.db2.gz ZPWNAUXLCNCAJJ-UHFFFAOYSA-N -1 3 375.150 0.139 20 0 GCADHM O=C1c2cccnc2S(=O)(=O)N1Cc1cn2ccccc2c1-c1nnn[n-]1 ZINC000826483490 608872162 /nfs/dbraw/zinc/87/21/62/608872162.db2.gz PCTLGNPHDSSRMA-UHFFFAOYSA-N -1 3 381.377 0.859 20 0 GCADHM O=C1c2cccnc2S(=O)(=O)N1Cc1cn2ccccc2c1-c1nn[n-]n1 ZINC000826483490 608872164 /nfs/dbraw/zinc/87/21/64/608872164.db2.gz PCTLGNPHDSSRMA-UHFFFAOYSA-N -1 3 381.377 0.859 20 0 GCADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CC(=O)C2CCOCC2)C1=O ZINC000824844129 608884318 /nfs/dbraw/zinc/88/43/18/608884318.db2.gz QFPCFAKFPPYONM-GOSISDBHSA-N -1 3 384.396 0.629 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CC(=O)C2CCOCC2)C1=O ZINC000824844129 608884319 /nfs/dbraw/zinc/88/43/19/608884319.db2.gz QFPCFAKFPPYONM-GOSISDBHSA-N -1 3 384.396 0.629 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)n1cccn1 ZINC000824039998 609133773 /nfs/dbraw/zinc/13/37/73/609133773.db2.gz KJFIEZMFICKZJU-WFASDCNBSA-N -1 3 380.412 0.936 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)n1cccn1 ZINC000824039998 609133775 /nfs/dbraw/zinc/13/37/75/609133775.db2.gz KJFIEZMFICKZJU-WFASDCNBSA-N -1 3 380.412 0.936 20 0 GCADHM Cc1noc(CCC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826339694 609134315 /nfs/dbraw/zinc/13/43/15/609134315.db2.gz OYVMXDGLWXIYOW-CQSZACIVSA-N -1 3 396.411 0.803 20 0 GCADHM Cc1noc(CCC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826339694 609134319 /nfs/dbraw/zinc/13/43/19/609134319.db2.gz OYVMXDGLWXIYOW-CQSZACIVSA-N -1 3 396.411 0.803 20 0 GCADHM Cn1cccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1=O ZINC000826363642 609134587 /nfs/dbraw/zinc/13/45/87/609134587.db2.gz VWDBIWCKXZCAAD-OAHLLOKOSA-N -1 3 393.407 0.491 20 0 GCADHM Cn1cccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1=O ZINC000826363642 609134589 /nfs/dbraw/zinc/13/45/89/609134589.db2.gz VWDBIWCKXZCAAD-OAHLLOKOSA-N -1 3 393.407 0.491 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1=O ZINC000826362890 609136144 /nfs/dbraw/zinc/13/61/44/609136144.db2.gz NEXRWQQYHSGJHS-OAHLLOKOSA-N -1 3 393.407 0.491 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1=O ZINC000826362890 609136146 /nfs/dbraw/zinc/13/61/46/609136146.db2.gz NEXRWQQYHSGJHS-OAHLLOKOSA-N -1 3 393.407 0.491 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCOCCO ZINC000824318967 609136636 /nfs/dbraw/zinc/13/66/36/609136636.db2.gz BTADCEVGPJVVLP-UHFFFAOYSA-N -1 3 392.416 0.108 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCOCCO ZINC000824318967 609136638 /nfs/dbraw/zinc/13/66/38/609136638.db2.gz BTADCEVGPJVVLP-UHFFFAOYSA-N -1 3 392.416 0.108 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2C(N)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257709 609141178 /nfs/dbraw/zinc/14/11/78/609141178.db2.gz MRSARIHJFGAOSW-HNNXBMFYSA-N -1 3 380.412 0.841 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2C(N)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257709 609141180 /nfs/dbraw/zinc/14/11/80/609141180.db2.gz MRSARIHJFGAOSW-HNNXBMFYSA-N -1 3 380.412 0.841 20 0 GCADHM COC(=O)[C@@H]1CCN(CCOc2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)OC)C1 ZINC000826133067 609144326 /nfs/dbraw/zinc/14/43/26/609144326.db2.gz JNZLUEDDPXKHRI-HIFRSBDPSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826132051 609144346 /nfs/dbraw/zinc/14/43/46/609144346.db2.gz AQXGHXRDCJKOHL-SMDDNHRTSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826132051 609144347 /nfs/dbraw/zinc/14/43/47/609144347.db2.gz AQXGHXRDCJKOHL-SMDDNHRTSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826133246 609144501 /nfs/dbraw/zinc/14/45/01/609144501.db2.gz KYANNDYIEJDDGZ-GXTWGEPZSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826133246 609144502 /nfs/dbraw/zinc/14/45/02/609144502.db2.gz KYANNDYIEJDDGZ-GXTWGEPZSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc(-c2nnn[n-]2)c1 ZINC000826111765 609144511 /nfs/dbraw/zinc/14/45/11/609144511.db2.gz LSHSIJCEHYYLHY-LSDHHAIUSA-N -1 3 389.412 0.593 20 0 GCADHM COC(=O)[C@H](NC[C@H]1COC2(CCOCC2)O1)c1cccc(-c2nn[n-]n2)c1 ZINC000826111765 609144512 /nfs/dbraw/zinc/14/45/12/609144512.db2.gz LSHSIJCEHYYLHY-LSDHHAIUSA-N -1 3 389.412 0.593 20 0 GCADHM COC(=O)[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc(-c2nnn[n-]2)c1 ZINC000826111764 609144530 /nfs/dbraw/zinc/14/45/30/609144530.db2.gz LSHSIJCEHYYLHY-HUUCEWRRSA-N -1 3 389.412 0.593 20 0 GCADHM COC(=O)[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc(-c2nn[n-]n2)c1 ZINC000826111764 609144533 /nfs/dbraw/zinc/14/45/33/609144533.db2.gz LSHSIJCEHYYLHY-HUUCEWRRSA-N -1 3 389.412 0.593 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)[C@H](C(=O)OC)C1 ZINC000826132044 609144626 /nfs/dbraw/zinc/14/46/26/609144626.db2.gz AQXGHXRDCJKOHL-FZMZJTMJSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)[C@H](C(=O)OC)C1 ZINC000826132044 609144628 /nfs/dbraw/zinc/14/46/28/609144628.db2.gz AQXGHXRDCJKOHL-FZMZJTMJSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc(-c2nnn[n-]2)c1 ZINC000826111762 609144882 /nfs/dbraw/zinc/14/48/82/609144882.db2.gz LSHSIJCEHYYLHY-CABCVRRESA-N -1 3 389.412 0.593 20 0 GCADHM COC(=O)[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1cccc(-c2nn[n-]n2)c1 ZINC000826111762 609144883 /nfs/dbraw/zinc/14/48/83/609144883.db2.gz LSHSIJCEHYYLHY-CABCVRRESA-N -1 3 389.412 0.593 20 0 GCADHM COC(=O)[C@@H]1CCN(CCOc2ccccc2-c2nnn[n-]2)[C@@H](C(=O)OC)C1 ZINC000826134708 609145005 /nfs/dbraw/zinc/14/50/05/609145005.db2.gz ZDYZWHDZANHVKM-TZMCWYRMSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@@H]1CCN(CCOc2ccccc2-c2nn[n-]n2)[C@@H](C(=O)OC)C1 ZINC000826134708 609145006 /nfs/dbraw/zinc/14/50/06/609145006.db2.gz ZDYZWHDZANHVKM-TZMCWYRMSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1CCOc1ccccc1-c1nnn[n-]1 ZINC000826134705 609145063 /nfs/dbraw/zinc/14/50/63/609145063.db2.gz ZDYZWHDZANHVKM-GXTWGEPZSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1CCOc1ccccc1-c1nn[n-]n1 ZINC000826134705 609145065 /nfs/dbraw/zinc/14/50/65/609145065.db2.gz ZDYZWHDZANHVKM-GXTWGEPZSA-N -1 3 389.412 0.672 20 0 GCADHM CC(C)N1CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000824301202 609148399 /nfs/dbraw/zinc/14/83/99/609148399.db2.gz SNNZYHHGIXPXPE-MRXNPFEDSA-N -1 3 383.456 0.915 20 0 GCADHM CC(C)N1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000824301202 609148402 /nfs/dbraw/zinc/14/84/02/609148402.db2.gz SNNZYHHGIXPXPE-MRXNPFEDSA-N -1 3 383.456 0.915 20 0 GCADHM Cc1cc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258525 609153100 /nfs/dbraw/zinc/15/31/00/609153100.db2.gz NUSLCEAWHQYFGZ-INIZCTEOSA-N -1 3 394.439 0.957 20 0 GCADHM Cc1cc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258525 609153101 /nfs/dbraw/zinc/15/31/01/609153101.db2.gz NUSLCEAWHQYFGZ-INIZCTEOSA-N -1 3 394.439 0.957 20 0 GCADHM Cc1cc(C(=O)NCC2N=NC(=S)N2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260133 609153918 /nfs/dbraw/zinc/15/39/18/609153918.db2.gz XVEDTBGYPWPQKA-UHFFFAOYSA-N -1 3 396.440 0.708 20 0 GCADHM Cc1cc(C(=O)NCC2N=NC(=S)N2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260133 609153919 /nfs/dbraw/zinc/15/39/19/609153919.db2.gz XVEDTBGYPWPQKA-UHFFFAOYSA-N -1 3 396.440 0.708 20 0 GCADHM Cc1cc(C(=O)OC[C@H]2CC(=O)N(C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261050 609154149 /nfs/dbraw/zinc/15/41/49/609154149.db2.gz OZDLYFZALGPOJF-LBPRGKRZSA-N -1 3 381.396 0.996 20 0 GCADHM Cc1cc(C(=O)OC[C@H]2CC(=O)N(C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261050 609154150 /nfs/dbraw/zinc/15/41/50/609154150.db2.gz OZDLYFZALGPOJF-LBPRGKRZSA-N -1 3 381.396 0.996 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccn(C)n1 ZINC000824633431 609154737 /nfs/dbraw/zinc/15/47/37/609154737.db2.gz NHMFFTJKHQOUOV-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccn(C)n1 ZINC000824633431 609154738 /nfs/dbraw/zinc/15/47/38/609154738.db2.gz NHMFFTJKHQOUOV-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258891 609155083 /nfs/dbraw/zinc/15/50/83/609155083.db2.gz ANMBPMJADXNPLJ-CYBMUJFWSA-N -1 3 390.411 0.697 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCc3ncnn3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258891 609155084 /nfs/dbraw/zinc/15/50/84/609155084.db2.gz ANMBPMJADXNPLJ-CYBMUJFWSA-N -1 3 390.411 0.697 20 0 GCADHM COCCOC1CN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC000826160290 609159520 /nfs/dbraw/zinc/15/95/20/609159520.db2.gz MLIALLHQUWCRAN-UHFFFAOYSA-N -1 3 383.412 0.848 20 0 GCADHM COCCOC1CN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000826160290 609159521 /nfs/dbraw/zinc/15/95/21/609159521.db2.gz MLIALLHQUWCRAN-UHFFFAOYSA-N -1 3 383.412 0.848 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCCCNC(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826116980 609161477 /nfs/dbraw/zinc/16/14/77/609161477.db2.gz GEYJEYSOUCAGNP-ZDUSSCGKSA-N -1 3 376.373 0.463 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCCCNC(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116980 609161480 /nfs/dbraw/zinc/16/14/80/609161480.db2.gz GEYJEYSOUCAGNP-ZDUSSCGKSA-N -1 3 376.373 0.463 20 0 GCADHM CCNC(=O)CCCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825471522 609161778 /nfs/dbraw/zinc/16/17/78/609161778.db2.gz VQUKAKBPPPNOGZ-OAHLLOKOSA-N -1 3 375.385 0.930 20 0 GCADHM CCNC(=O)CCCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000825471522 609161780 /nfs/dbraw/zinc/16/17/80/609161780.db2.gz VQUKAKBPPPNOGZ-OAHLLOKOSA-N -1 3 375.385 0.930 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117630 609163375 /nfs/dbraw/zinc/16/33/75/609163375.db2.gz OMUAUUPZPBSPHE-SWLSCSKDSA-N -1 3 385.380 0.635 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117630 609163376 /nfs/dbraw/zinc/16/33/76/609163376.db2.gz OMUAUUPZPBSPHE-SWLSCSKDSA-N -1 3 385.380 0.635 20 0 GCADHM C[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21)S(N)(=O)=O ZINC000824427765 609165636 /nfs/dbraw/zinc/16/56/36/609165636.db2.gz OPGBXKNFHDYXEC-LURJTMIESA-N -1 3 385.812 0.718 20 0 GCADHM C[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21)S(N)(=O)=O ZINC000824427765 609165638 /nfs/dbraw/zinc/16/56/38/609165638.db2.gz OPGBXKNFHDYXEC-LURJTMIESA-N -1 3 385.812 0.718 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H](CC)OC)c(-c2nnn[n-]2)cn1CCOC ZINC000825559585 609169521 /nfs/dbraw/zinc/16/95/21/609169521.db2.gz IIXXFNFJNDXWSW-NSHDSACASA-N -1 3 380.405 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H](CC)OC)c(-c2nn[n-]n2)cn1CCOC ZINC000825559585 609169523 /nfs/dbraw/zinc/16/95/23/609169523.db2.gz IIXXFNFJNDXWSW-NSHDSACASA-N -1 3 380.405 0.855 20 0 GCADHM Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3ccc(-c4nnn[n-]4)[nH]3)no2)cn1 ZINC000826356480 609171135 /nfs/dbraw/zinc/17/11/35/609171135.db2.gz SKCZOGBAMRUAFF-GFCCVEGCSA-N -1 3 396.371 0.192 20 0 GCADHM Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3ccc(-c4nn[n-]n4)[nH]3)no2)cn1 ZINC000826356480 609171137 /nfs/dbraw/zinc/17/11/37/609171137.db2.gz SKCZOGBAMRUAFF-GFCCVEGCSA-N -1 3 396.371 0.192 20 0 GCADHM COCc1noc(CN2C(=O)N[C@@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826165745 609172820 /nfs/dbraw/zinc/17/28/20/609172820.db2.gz IKMIFZSRKSSABK-INIZCTEOSA-N -1 3 384.356 0.363 20 0 GCADHM COCc1noc(CN2C(=O)N[C@@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826165745 609172822 /nfs/dbraw/zinc/17/28/22/609172822.db2.gz IKMIFZSRKSSABK-INIZCTEOSA-N -1 3 384.356 0.363 20 0 GCADHM COCc1noc(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000826165626 609173853 /nfs/dbraw/zinc/17/38/53/609173853.db2.gz CGEWPWXYZQVQAP-MRXNPFEDSA-N -1 3 384.356 0.363 20 0 GCADHM COCc1noc(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000826165626 609173855 /nfs/dbraw/zinc/17/38/55/609173855.db2.gz CGEWPWXYZQVQAP-MRXNPFEDSA-N -1 3 384.356 0.363 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825034969 609178372 /nfs/dbraw/zinc/17/83/72/609178372.db2.gz VCCDFQUQAKYZLP-FZMZJTMJSA-N -1 3 385.428 0.393 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825034969 609178374 /nfs/dbraw/zinc/17/83/74/609178374.db2.gz VCCDFQUQAKYZLP-FZMZJTMJSA-N -1 3 385.428 0.393 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825034972 609178549 /nfs/dbraw/zinc/17/85/49/609178549.db2.gz VCCDFQUQAKYZLP-SMDDNHRTSA-N -1 3 385.428 0.393 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825034972 609178550 /nfs/dbraw/zinc/17/85/50/609178550.db2.gz VCCDFQUQAKYZLP-SMDDNHRTSA-N -1 3 385.428 0.393 20 0 GCADHM CCCNC(=O)CCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825328451 609178604 /nfs/dbraw/zinc/17/86/04/609178604.db2.gz SLYICOWSQCKTNY-HNNXBMFYSA-N -1 3 399.455 0.785 20 0 GCADHM CCCNC(=O)CCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825328451 609178606 /nfs/dbraw/zinc/17/86/06/609178606.db2.gz SLYICOWSQCKTNY-HNNXBMFYSA-N -1 3 399.455 0.785 20 0 GCADHM C[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824433508 609180123 /nfs/dbraw/zinc/18/01/23/609180123.db2.gz GEFMATBEENZTCS-TYNCELHUSA-N -1 3 387.444 0.678 20 0 GCADHM C[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824433508 609180125 /nfs/dbraw/zinc/18/01/25/609180125.db2.gz GEFMATBEENZTCS-TYNCELHUSA-N -1 3 387.444 0.678 20 0 GCADHM Cc1nnc2n1C[C@@H](NC(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826337511 609180450 /nfs/dbraw/zinc/18/04/50/609180450.db2.gz RFQMSQOHCWEFDN-ZDUSSCGKSA-N -1 3 383.416 0.460 20 0 GCADHM Cc1nnc(CNC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)o1 ZINC000826335542 609180815 /nfs/dbraw/zinc/18/08/15/609180815.db2.gz RBPPETXAULOZCL-ZDUSSCGKSA-N -1 3 397.399 0.553 20 0 GCADHM Cc1nnc(CNC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)o1 ZINC000826335542 609180817 /nfs/dbraw/zinc/18/08/17/609180817.db2.gz RBPPETXAULOZCL-ZDUSSCGKSA-N -1 3 397.399 0.553 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1-c1nnn[n-]1 ZINC000826200035 609181600 /nfs/dbraw/zinc/18/16/00/609181600.db2.gz WGSFCIVVJHXVLL-GFCCVEGCSA-N -1 3 385.428 0.685 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1-c1nn[n-]n1 ZINC000826200035 609181602 /nfs/dbraw/zinc/18/16/02/609181602.db2.gz WGSFCIVVJHXVLL-GFCCVEGCSA-N -1 3 385.428 0.685 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1cccc(-c2nnn[n-]2)c1 ZINC000826490621 609182744 /nfs/dbraw/zinc/18/27/44/609182744.db2.gz BLCZAAUOIDMGNC-GFCCVEGCSA-N -1 3 381.414 0.067 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1cccc(-c2nn[n-]n2)c1 ZINC000826490621 609182745 /nfs/dbraw/zinc/18/27/45/609182745.db2.gz BLCZAAUOIDMGNC-GFCCVEGCSA-N -1 3 381.414 0.067 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1ccccc1-c1nnn[n-]1 ZINC000826491004 609182923 /nfs/dbraw/zinc/18/29/23/609182923.db2.gz PZLCXMWAPRAMJZ-NSHDSACASA-N -1 3 381.414 0.067 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1ccccc1-c1nn[n-]n1 ZINC000826491004 609182925 /nfs/dbraw/zinc/18/29/25/609182925.db2.gz PZLCXMWAPRAMJZ-NSHDSACASA-N -1 3 381.414 0.067 20 0 GCADHM CC(C)(C)OC(=O)N1CC(OCCC(=O)Nc2ccncc2-c2nnn[n-]2)C1 ZINC000824104475 609184670 /nfs/dbraw/zinc/18/46/70/609184670.db2.gz UJAZPDMIHPQWGH-UHFFFAOYSA-N -1 3 389.416 0.648 20 0 GCADHM CC(C)(C)OC(=O)N1CC(OCCC(=O)Nc2ccncc2-c2nn[n-]n2)C1 ZINC000824104475 609184672 /nfs/dbraw/zinc/18/46/72/609184672.db2.gz UJAZPDMIHPQWGH-UHFFFAOYSA-N -1 3 389.416 0.648 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000825971779 609188109 /nfs/dbraw/zinc/18/81/09/609188109.db2.gz OAVZIPJKVXBEAF-HNNXBMFYSA-N -1 3 388.428 0.930 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000825971779 609188110 /nfs/dbraw/zinc/18/81/10/609188110.db2.gz OAVZIPJKVXBEAF-HNNXBMFYSA-N -1 3 388.428 0.930 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000826282085 609190784 /nfs/dbraw/zinc/19/07/84/609190784.db2.gz XLHHLTJMNQDCPG-MRXNPFEDSA-N -1 3 398.398 0.894 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826282085 609190786 /nfs/dbraw/zinc/19/07/86/609190786.db2.gz XLHHLTJMNQDCPG-MRXNPFEDSA-N -1 3 398.398 0.894 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000826398233 609192244 /nfs/dbraw/zinc/19/22/44/609192244.db2.gz SGBKXNHGYVHBCU-QGZVFWFLSA-N -1 3 379.424 0.640 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cccnc2)CC1 ZINC000826398233 609192246 /nfs/dbraw/zinc/19/22/46/609192246.db2.gz SGBKXNHGYVHBCU-QGZVFWFLSA-N -1 3 379.424 0.640 20 0 GCADHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824763495 609194529 /nfs/dbraw/zinc/19/45/29/609194529.db2.gz MTMGBYCPCIVTPP-VIFPVBQESA-N -1 3 375.414 0.675 20 0 GCADHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824763495 609194531 /nfs/dbraw/zinc/19/45/31/609194531.db2.gz MTMGBYCPCIVTPP-VIFPVBQESA-N -1 3 375.414 0.675 20 0 GCADHM O=C(NCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)c1ccn[nH]1 ZINC000826437448 609195137 /nfs/dbraw/zinc/19/51/37/609195137.db2.gz MGCUQXYIDRUTPG-UHFFFAOYSA-N -1 3 395.427 0.694 20 0 GCADHM O=C(NCCS(=O)(=O)NCc1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826439506 609197120 /nfs/dbraw/zinc/19/71/20/609197120.db2.gz XZKJKBHCSJCSPG-UHFFFAOYSA-N -1 3 375.414 0.044 20 0 GCADHM O=C(NCCS(=O)(=O)NCc1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826439506 609197122 /nfs/dbraw/zinc/19/71/22/609197122.db2.gz XZKJKBHCSJCSPG-UHFFFAOYSA-N -1 3 375.414 0.044 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccccc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826437627 609197357 /nfs/dbraw/zinc/19/73/57/609197357.db2.gz UHZWCQLYXDABFS-UHFFFAOYSA-N -1 3 375.414 0.044 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccccc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826437627 609197358 /nfs/dbraw/zinc/19/73/58/609197358.db2.gz UHZWCQLYXDABFS-UHFFFAOYSA-N -1 3 375.414 0.044 20 0 GCADHM O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826481152 609198701 /nfs/dbraw/zinc/19/87/01/609198701.db2.gz JEGIYYQPYLUEGW-KRWDZBQOSA-N -1 3 393.407 0.475 20 0 GCADHM O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826481152 609198702 /nfs/dbraw/zinc/19/87/02/609198702.db2.gz JEGIYYQPYLUEGW-KRWDZBQOSA-N -1 3 393.407 0.475 20 0 GCADHM O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826481153 609198768 /nfs/dbraw/zinc/19/87/68/609198768.db2.gz JEGIYYQPYLUEGW-QGZVFWFLSA-N -1 3 393.407 0.475 20 0 GCADHM O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826481153 609198769 /nfs/dbraw/zinc/19/87/69/609198769.db2.gz JEGIYYQPYLUEGW-QGZVFWFLSA-N -1 3 393.407 0.475 20 0 GCADHM O=C(COc1ccc(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1)NC1CC1 ZINC000826417983 609199571 /nfs/dbraw/zinc/19/95/71/609199571.db2.gz MWZONFBYMMSMAP-UHFFFAOYSA-N -1 3 395.423 0.825 20 0 GCADHM O=C(COc1ccc(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1)NC1CC1 ZINC000826417983 609199573 /nfs/dbraw/zinc/19/95/73/609199573.db2.gz MWZONFBYMMSMAP-UHFFFAOYSA-N -1 3 395.423 0.825 20 0 GCADHM Cc1noc(C)c1CN1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826338701 609199899 /nfs/dbraw/zinc/19/98/99/609199899.db2.gz FDGWXYZBOLBDHJ-QGZVFWFLSA-N -1 3 397.439 0.849 20 0 GCADHM Cc1noc(C)c1CN1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826338701 609199901 /nfs/dbraw/zinc/19/99/01/609199901.db2.gz FDGWXYZBOLBDHJ-QGZVFWFLSA-N -1 3 397.439 0.849 20 0 GCADHM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826090010 609200758 /nfs/dbraw/zinc/20/07/58/609200758.db2.gz BQBBOTSPLOJSIM-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM CNS(=O)(=O)c1ccc([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826090010 609200760 /nfs/dbraw/zinc/20/07/60/609200760.db2.gz BQBBOTSPLOJSIM-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826434710 609201190 /nfs/dbraw/zinc/20/11/90/609201190.db2.gz VHYSTHQWVKSZII-HZPDHXFCSA-N -1 3 384.440 0.665 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826434710 609201191 /nfs/dbraw/zinc/20/11/91/609201191.db2.gz VHYSTHQWVKSZII-HZPDHXFCSA-N -1 3 384.440 0.665 20 0 GCADHM Cn1cccc1C(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826363250 609201229 /nfs/dbraw/zinc/20/12/29/609201229.db2.gz DMKKSZQVDPWTOO-MRXNPFEDSA-N -1 3 395.423 0.223 20 0 GCADHM Cn1cccc1C(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826363250 609201230 /nfs/dbraw/zinc/20/12/30/609201230.db2.gz DMKKSZQVDPWTOO-MRXNPFEDSA-N -1 3 395.423 0.223 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000826469650 609201383 /nfs/dbraw/zinc/20/13/83/609201383.db2.gz NNPYWINRDUMELY-UHFFFAOYSA-N -1 3 387.366 0.922 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@H](O)C1 ZINC000826430843 609202935 /nfs/dbraw/zinc/20/29/35/609202935.db2.gz LKXPWRJWHDFONX-LSDHHAIUSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@H](O)C1 ZINC000826430843 609202936 /nfs/dbraw/zinc/20/29/36/609202936.db2.gz LKXPWRJWHDFONX-LSDHHAIUSA-N -1 3 385.428 0.528 20 0 GCADHM CC(C)[C@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824207051 609203583 /nfs/dbraw/zinc/20/35/83/609203583.db2.gz OMKDQIHVVAPPOM-LSDHHAIUSA-N -1 3 387.444 0.678 20 0 GCADHM CC(C)[C@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824207051 609203585 /nfs/dbraw/zinc/20/35/85/609203585.db2.gz OMKDQIHVVAPPOM-LSDHHAIUSA-N -1 3 387.444 0.678 20 0 GCADHM CC1(O)CCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824844561 609203845 /nfs/dbraw/zinc/20/38/45/609203845.db2.gz YAOMBQNXEXNYFD-OAHLLOKOSA-N -1 3 399.455 0.919 20 0 GCADHM CC1(O)CCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824844561 609203846 /nfs/dbraw/zinc/20/38/46/609203846.db2.gz YAOMBQNXEXNYFD-OAHLLOKOSA-N -1 3 399.455 0.919 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCCOCC1 ZINC000826430752 609204980 /nfs/dbraw/zinc/20/49/80/609204980.db2.gz JXBDKGHZXRUSRZ-OAHLLOKOSA-N -1 3 385.428 0.794 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCCOCC1 ZINC000826430752 609204981 /nfs/dbraw/zinc/20/49/81/609204981.db2.gz JXBDKGHZXRUSRZ-OAHLLOKOSA-N -1 3 385.428 0.794 20 0 GCADHM Cn1cc(C(=O)NCC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cn1 ZINC000826359016 609205840 /nfs/dbraw/zinc/20/58/40/609205840.db2.gz RPHOMAJYSWYLKE-UHFFFAOYSA-N -1 3 383.416 0.211 20 0 GCADHM Cn1cc(C(=O)NCC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC000826359016 609205841 /nfs/dbraw/zinc/20/58/41/609205841.db2.gz RPHOMAJYSWYLKE-UHFFFAOYSA-N -1 3 383.416 0.211 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@@H]1CO ZINC000826476304 609206610 /nfs/dbraw/zinc/20/66/10/609206610.db2.gz FFIUAUPRCQBTBT-HUUCEWRRSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@@H]1CO ZINC000826476304 609206611 /nfs/dbraw/zinc/20/66/11/609206611.db2.gz FFIUAUPRCQBTBT-HUUCEWRRSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(NCC1(CO)CC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826434017 609206802 /nfs/dbraw/zinc/20/68/02/609206802.db2.gz ZLBDJBWXMYNGHW-AWEZNQCLSA-N -1 3 385.428 0.434 20 0 GCADHM O=C(NCC1(CO)CC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826434017 609206804 /nfs/dbraw/zinc/20/68/04/609206804.db2.gz ZLBDJBWXMYNGHW-AWEZNQCLSA-N -1 3 385.428 0.434 20 0 GCADHM O=C(NCc1ccnc(-n2ccnc2)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443475 609214207 /nfs/dbraw/zinc/21/42/07/609214207.db2.gz QQJWILWKHINFLB-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1ccnc(-n2ccnc2)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443475 609214209 /nfs/dbraw/zinc/21/42/09/609214209.db2.gz QQJWILWKHINFLB-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431619 609215556 /nfs/dbraw/zinc/21/55/56/609215556.db2.gz GMJJZKPIXMUXHZ-IAGOWNOFSA-N -1 3 392.419 0.817 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431619 609215558 /nfs/dbraw/zinc/21/55/58/609215558.db2.gz GMJJZKPIXMUXHZ-IAGOWNOFSA-N -1 3 392.419 0.817 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825068436 609216159 /nfs/dbraw/zinc/21/61/59/609216159.db2.gz RQRWLCCSXYFGEO-BPNCWPANSA-N -1 3 390.469 0.716 20 0 GCADHM CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825068436 609216161 /nfs/dbraw/zinc/21/61/61/609216161.db2.gz RQRWLCCSXYFGEO-BPNCWPANSA-N -1 3 390.469 0.716 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824364360 609217197 /nfs/dbraw/zinc/21/71/97/609217197.db2.gz CKEJKVLXAMGTAK-DZGCQCFKSA-N -1 3 382.428 0.746 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NC(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824364360 609217199 /nfs/dbraw/zinc/21/71/99/609217199.db2.gz CKEJKVLXAMGTAK-DZGCQCFKSA-N -1 3 382.428 0.746 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826429234 609218203 /nfs/dbraw/zinc/21/82/03/609218203.db2.gz XMYHSDFJMHUXFB-CYBMUJFWSA-N -1 3 381.396 0.605 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826429234 609218204 /nfs/dbraw/zinc/21/82/04/609218204.db2.gz XMYHSDFJMHUXFB-CYBMUJFWSA-N -1 3 381.396 0.605 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826434729 609218700 /nfs/dbraw/zinc/21/87/00/609218700.db2.gz VWHBMXXZJFSHTC-KBPBESRZSA-N -1 3 388.453 0.328 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826434729 609218703 /nfs/dbraw/zinc/21/87/03/609218703.db2.gz VWHBMXXZJFSHTC-KBPBESRZSA-N -1 3 388.453 0.328 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825391222 609218825 /nfs/dbraw/zinc/21/88/25/609218825.db2.gz WWQLUOBDQLAKJD-QWHCGFSZSA-N -1 3 376.442 0.280 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825391222 609218826 /nfs/dbraw/zinc/21/88/26/609218826.db2.gz WWQLUOBDQLAKJD-QWHCGFSZSA-N -1 3 376.442 0.280 20 0 GCADHM CN(CCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000825937344 609219709 /nfs/dbraw/zinc/21/97/09/609219709.db2.gz AFCMJKMHWSBDBU-CYBMUJFWSA-N -1 3 376.417 0.883 20 0 GCADHM CN(CCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000825937344 609219711 /nfs/dbraw/zinc/21/97/11/609219711.db2.gz AFCMJKMHWSBDBU-CYBMUJFWSA-N -1 3 376.417 0.883 20 0 GCADHM CNC(=O)c1cc(OC)ccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826067795 609219936 /nfs/dbraw/zinc/21/99/36/609219936.db2.gz KOWBPIHPXBPHCX-HNNXBMFYSA-N -1 3 382.380 0.907 20 0 GCADHM CNC(=O)c1cc(OC)ccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826067795 609219938 /nfs/dbraw/zinc/21/99/38/609219938.db2.gz KOWBPIHPXBPHCX-HNNXBMFYSA-N -1 3 382.380 0.907 20 0 GCADHM COc1cc(C[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc(OC)c1 ZINC000826178867 609221506 /nfs/dbraw/zinc/22/15/06/609221506.db2.gz PHGQLYMDORRSOT-GFCCVEGCSA-N -1 3 386.412 0.793 20 0 GCADHM COc1cc(C[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc(OC)c1 ZINC000826178867 609221508 /nfs/dbraw/zinc/22/15/08/609221508.db2.gz PHGQLYMDORRSOT-GFCCVEGCSA-N -1 3 386.412 0.793 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000826397695 609226155 /nfs/dbraw/zinc/22/61/55/609226155.db2.gz ISGLUWLMFMAUTB-HOCLYGCPSA-N -1 3 394.439 0.844 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000826397695 609226157 /nfs/dbraw/zinc/22/61/57/609226157.db2.gz ISGLUWLMFMAUTB-HOCLYGCPSA-N -1 3 394.439 0.844 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825210636 609226383 /nfs/dbraw/zinc/22/63/83/609226383.db2.gz ISDOINSAUMCRCQ-WCQYABFASA-N -1 3 395.489 0.763 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825210636 609226385 /nfs/dbraw/zinc/22/63/85/609226385.db2.gz ISDOINSAUMCRCQ-WCQYABFASA-N -1 3 395.489 0.763 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431685 609227277 /nfs/dbraw/zinc/22/72/77/609227277.db2.gz HYWICSLWAFPAEZ-CVEARBPZSA-N -1 3 378.392 0.822 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccccc2)C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431685 609227278 /nfs/dbraw/zinc/22/72/78/609227278.db2.gz HYWICSLWAFPAEZ-CVEARBPZSA-N -1 3 378.392 0.822 20 0 GCADHM CCn1ccnc1CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825804411 609228387 /nfs/dbraw/zinc/22/83/87/609228387.db2.gz AFEZRTVENZEAOQ-KRWDZBQOSA-N -1 3 396.455 0.461 20 0 GCADHM CCn1ccnc1CN1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825804411 609228388 /nfs/dbraw/zinc/22/83/88/609228388.db2.gz AFEZRTVENZEAOQ-KRWDZBQOSA-N -1 3 396.455 0.461 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000826320041 609228416 /nfs/dbraw/zinc/22/84/16/609228416.db2.gz DWKBXXMUQWCUJR-HZPDHXFCSA-N -1 3 383.412 0.333 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826320041 609228417 /nfs/dbraw/zinc/22/84/17/609228417.db2.gz DWKBXXMUQWCUJR-HZPDHXFCSA-N -1 3 383.412 0.333 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000826399361 609229041 /nfs/dbraw/zinc/22/90/41/609229041.db2.gz UDUDZORXNPJHJY-HZPDHXFCSA-N -1 3 384.440 0.761 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000826399361 609229042 /nfs/dbraw/zinc/22/90/42/609229042.db2.gz UDUDZORXNPJHJY-HZPDHXFCSA-N -1 3 384.440 0.761 20 0 GCADHM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431251 609229052 /nfs/dbraw/zinc/22/90/52/609229052.db2.gz WJKANHFJKAKZNC-MNOVXSKESA-N -1 3 384.318 0.180 20 0 GCADHM O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431251 609229053 /nfs/dbraw/zinc/22/90/53/609229053.db2.gz WJKANHFJKAKZNC-MNOVXSKESA-N -1 3 384.318 0.180 20 0 GCADHM O=C(NC[C@H]1CCCN1c1cccnn1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435069 609233227 /nfs/dbraw/zinc/23/32/27/609233227.db2.gz FVZAGLSYOHPEME-ZBFHGGJFSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(NC[C@H]1CCCN1c1cccnn1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435069 609233228 /nfs/dbraw/zinc/23/32/28/609233228.db2.gz FVZAGLSYOHPEME-ZBFHGGJFSA-N -1 3 380.412 0.475 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000825812713 609233578 /nfs/dbraw/zinc/23/35/78/609233578.db2.gz RPAPREGUMNAWML-DOTOQJQBSA-N -1 3 394.439 0.818 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000825812713 609233579 /nfs/dbraw/zinc/23/35/79/609233579.db2.gz RPAPREGUMNAWML-DOTOQJQBSA-N -1 3 394.439 0.818 20 0 GCADHM CN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000825812715 609233842 /nfs/dbraw/zinc/23/38/42/609233842.db2.gz RPAPREGUMNAWML-RDJZCZTQSA-N -1 3 394.439 0.818 20 0 GCADHM CN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000825812715 609233843 /nfs/dbraw/zinc/23/38/43/609233843.db2.gz RPAPREGUMNAWML-RDJZCZTQSA-N -1 3 394.439 0.818 20 0 GCADHM O=C(NCc1cccc(-n2cncn2)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442856 609235044 /nfs/dbraw/zinc/23/50/44/609235044.db2.gz NFNHRHOKEBOUDY-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1cccc(-n2cncn2)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442856 609235045 /nfs/dbraw/zinc/23/50/45/609235045.db2.gz NFNHRHOKEBOUDY-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000825812865 609236463 /nfs/dbraw/zinc/23/64/63/609236463.db2.gz WKCNCOMZYUDQJO-RRFJBIMHSA-N -1 3 393.469 0.714 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000825812865 609236465 /nfs/dbraw/zinc/23/64/65/609236465.db2.gz WKCNCOMZYUDQJO-RRFJBIMHSA-N -1 3 393.469 0.714 20 0 GCADHM CN(C)C(=O)c1cccc(CCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825846379 609236635 /nfs/dbraw/zinc/23/66/35/609236635.db2.gz ZDVQOYHSYSOHQT-QGZVFWFLSA-N -1 3 394.435 0.961 20 0 GCADHM CN(C)C(=O)c1cccc(CCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825846379 609236637 /nfs/dbraw/zinc/23/66/37/609236637.db2.gz ZDVQOYHSYSOHQT-QGZVFWFLSA-N -1 3 394.435 0.961 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826222150 609237003 /nfs/dbraw/zinc/23/70/03/609237003.db2.gz LDRFMEPBZKNBEX-MGPQQGTHSA-N -1 3 379.442 0.372 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826222150 609237005 /nfs/dbraw/zinc/23/70/05/609237005.db2.gz LDRFMEPBZKNBEX-MGPQQGTHSA-N -1 3 379.442 0.372 20 0 GCADHM COc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1-n1cnnn1 ZINC000826209460 609238518 /nfs/dbraw/zinc/23/85/18/609238518.db2.gz CNNOSTXECBASIG-HNNXBMFYSA-N -1 3 393.367 0.523 20 0 GCADHM COc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1-n1cnnn1 ZINC000826209460 609238519 /nfs/dbraw/zinc/23/85/19/609238519.db2.gz CNNOSTXECBASIG-HNNXBMFYSA-N -1 3 393.367 0.523 20 0 GCADHM COC(=O)[C@H](OC(=O)c1nccn2ccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117926 609239522 /nfs/dbraw/zinc/23/95/22/609239522.db2.gz VNRHSKPFPOJTHC-CYBMUJFWSA-N -1 3 379.336 0.981 20 0 GCADHM COC(=O)[C@H](OC(=O)c1nccn2ccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117926 609239524 /nfs/dbraw/zinc/23/95/24/609239524.db2.gz VNRHSKPFPOJTHC-CYBMUJFWSA-N -1 3 379.336 0.981 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000826323999 609241967 /nfs/dbraw/zinc/24/19/67/609241967.db2.gz ANBZYUAXJMKSBN-JKSUJKDBSA-N -1 3 398.427 0.036 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000826323999 609241968 /nfs/dbraw/zinc/24/19/68/609241968.db2.gz ANBZYUAXJMKSBN-JKSUJKDBSA-N -1 3 398.427 0.036 20 0 GCADHM O=C(NCCn1c(=O)[nH]c2ccccc21)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439790 609245304 /nfs/dbraw/zinc/24/53/04/609245304.db2.gz KFPJOVFGCVSYRR-HNNXBMFYSA-N -1 3 379.380 0.772 20 0 GCADHM O=C(NCCn1c(=O)[nH]c2ccccc21)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439790 609245306 /nfs/dbraw/zinc/24/53/06/609245306.db2.gz KFPJOVFGCVSYRR-HNNXBMFYSA-N -1 3 379.380 0.772 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC000825845103 609245457 /nfs/dbraw/zinc/24/54/57/609245457.db2.gz BZPAAXHPMISDJM-UHFFFAOYSA-N -1 3 387.444 0.850 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000825845103 609245458 /nfs/dbraw/zinc/24/54/58/609245458.db2.gz BZPAAXHPMISDJM-UHFFFAOYSA-N -1 3 387.444 0.850 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC000825957961 609247752 /nfs/dbraw/zinc/24/77/52/609247752.db2.gz KRUYQVPMCMFEED-UHFFFAOYSA-N -1 3 393.407 0.932 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC000825957961 609247754 /nfs/dbraw/zinc/24/77/54/609247754.db2.gz KRUYQVPMCMFEED-UHFFFAOYSA-N -1 3 393.407 0.932 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826165939 609247844 /nfs/dbraw/zinc/24/78/44/609247844.db2.gz OSONKCZOTPCQAD-GXTWGEPZSA-N -1 3 384.400 0.289 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826165939 609247846 /nfs/dbraw/zinc/24/78/46/609247846.db2.gz OSONKCZOTPCQAD-GXTWGEPZSA-N -1 3 384.400 0.289 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000826398143 609250382 /nfs/dbraw/zinc/25/03/82/609250382.db2.gz RAGMTUCDJHCVMJ-YQQAZPJKSA-N -1 3 399.407 0.844 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000826398143 609250383 /nfs/dbraw/zinc/25/03/83/609250383.db2.gz RAGMTUCDJHCVMJ-YQQAZPJKSA-N -1 3 399.407 0.844 20 0 GCADHM O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826455381 609250746 /nfs/dbraw/zinc/25/07/46/609250746.db2.gz LQKSSCJILDRUKB-OAHLLOKOSA-N -1 3 385.405 0.869 20 0 GCADHM O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826455381 609250747 /nfs/dbraw/zinc/25/07/47/609250747.db2.gz LQKSSCJILDRUKB-OAHLLOKOSA-N -1 3 385.405 0.869 20 0 GCADHM Cc1cnc(CN(C)[C@H]2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)o1 ZINC000826318573 609251352 /nfs/dbraw/zinc/25/13/52/609251352.db2.gz PRVWYVSHZJZXCE-DOTOQJQBSA-N -1 3 397.439 0.929 20 0 GCADHM Cc1cnc(CN(C)[C@H]2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)o1 ZINC000826318573 609251354 /nfs/dbraw/zinc/25/13/54/609251354.db2.gz PRVWYVSHZJZXCE-DOTOQJQBSA-N -1 3 397.439 0.929 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CC(C)(CO)CO ZINC000824206140 609255631 /nfs/dbraw/zinc/25/56/31/609255631.db2.gz AMOXSHVNBSGKTE-HNNXBMFYSA-N -1 3 377.445 0.719 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CC(C)(CO)CO ZINC000824206140 609255632 /nfs/dbraw/zinc/25/56/32/609255632.db2.gz AMOXSHVNBSGKTE-HNNXBMFYSA-N -1 3 377.445 0.719 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000825494257 609255898 /nfs/dbraw/zinc/25/58/98/609255898.db2.gz UPKQUHKOSUSOAU-LSDHHAIUSA-N -1 3 389.412 0.375 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000825494257 609255900 /nfs/dbraw/zinc/25/59/00/609255900.db2.gz UPKQUHKOSUSOAU-LSDHHAIUSA-N -1 3 389.412 0.375 20 0 GCADHM COC(=O)C1(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCSCC1 ZINC000826123806 609255941 /nfs/dbraw/zinc/25/59/41/609255941.db2.gz KYJHCGUCZOKGKB-GFCCVEGCSA-N -1 3 377.426 0.455 20 0 GCADHM COC(=O)C1(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCSCC1 ZINC000826123806 609255943 /nfs/dbraw/zinc/25/59/43/609255943.db2.gz KYJHCGUCZOKGKB-GFCCVEGCSA-N -1 3 377.426 0.455 20 0 GCADHM COC(=O)C1(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCSCC1 ZINC000826123807 609256099 /nfs/dbraw/zinc/25/60/99/609256099.db2.gz KYJHCGUCZOKGKB-LBPRGKRZSA-N -1 3 377.426 0.455 20 0 GCADHM COC(=O)C1(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCSCC1 ZINC000826123807 609256101 /nfs/dbraw/zinc/25/61/01/609256101.db2.gz KYJHCGUCZOKGKB-LBPRGKRZSA-N -1 3 377.426 0.455 20 0 GCADHM Cc1cc(C(=O)N2CCOC[C@H]2CCO)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258745 609257513 /nfs/dbraw/zinc/25/75/13/609257513.db2.gz UXVABAAFJOGUNY-OAHLLOKOSA-N -1 3 383.412 0.584 20 0 GCADHM Cc1cc(C(=O)N2CCOC[C@H]2CCO)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258745 609257514 /nfs/dbraw/zinc/25/75/14/609257514.db2.gz UXVABAAFJOGUNY-OAHLLOKOSA-N -1 3 383.412 0.584 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncccc2F)CC1 ZINC000826397404 609257699 /nfs/dbraw/zinc/25/76/99/609257699.db2.gz CCHFLNVZYNKSSG-HNNXBMFYSA-N -1 3 383.387 0.783 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncccc2F)CC1 ZINC000826397404 609257700 /nfs/dbraw/zinc/25/77/00/609257700.db2.gz CCHFLNVZYNKSSG-HNNXBMFYSA-N -1 3 383.387 0.783 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccc(F)cn2)CC1 ZINC000826398178 609261680 /nfs/dbraw/zinc/26/16/80/609261680.db2.gz RKENNSCIGFZVJT-MRXNPFEDSA-N -1 3 383.387 0.783 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccc(F)cn2)CC1 ZINC000826398178 609261682 /nfs/dbraw/zinc/26/16/82/609261682.db2.gz RKENNSCIGFZVJT-MRXNPFEDSA-N -1 3 383.387 0.783 20 0 GCADHM CCOC(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000825493294 609265441 /nfs/dbraw/zinc/26/54/41/609265441.db2.gz KFXGHLDKTFCMIC-AWEZNQCLSA-N -1 3 398.423 0.822 20 0 GCADHM CCOC(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000825493294 609265442 /nfs/dbraw/zinc/26/54/42/609265442.db2.gz KFXGHLDKTFCMIC-AWEZNQCLSA-N -1 3 398.423 0.822 20 0 GCADHM CNC(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826050720 609265619 /nfs/dbraw/zinc/26/56/19/609265619.db2.gz BRADJAVMDNVKDB-ZDUSSCGKSA-N -1 3 383.412 0.005 20 0 GCADHM CNC(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826050720 609265620 /nfs/dbraw/zinc/26/56/20/609265620.db2.gz BRADJAVMDNVKDB-ZDUSSCGKSA-N -1 3 383.412 0.005 20 0 GCADHM CCOCCOC1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000825600082 609265985 /nfs/dbraw/zinc/26/59/85/609265985.db2.gz YXRCYGRSHLLTRC-UHFFFAOYSA-N -1 3 394.819 0.723 20 0 GCADHM CCOCCOC1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000825600082 609265986 /nfs/dbraw/zinc/26/59/86/609265986.db2.gz YXRCYGRSHLLTRC-UHFFFAOYSA-N -1 3 394.819 0.723 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@]1(O)CCSC1 ZINC000826476150 609266295 /nfs/dbraw/zinc/26/62/95/609266295.db2.gz BPPTYHXKCGWXCP-GUYCJALGSA-N -1 3 388.453 0.346 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@]1(O)CCSC1 ZINC000826476150 609266297 /nfs/dbraw/zinc/26/62/97/609266297.db2.gz BPPTYHXKCGWXCP-GUYCJALGSA-N -1 3 388.453 0.346 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](O)c1cccc(F)c1 ZINC000824480328 609266877 /nfs/dbraw/zinc/26/68/77/609266877.db2.gz VOLFNNPTUWHBDL-PIGZYNQJSA-N -1 3 398.398 0.974 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](O)c1cccc(F)c1 ZINC000824480328 609266878 /nfs/dbraw/zinc/26/68/78/609266878.db2.gz VOLFNNPTUWHBDL-PIGZYNQJSA-N -1 3 398.398 0.974 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC000824818012 609275128 /nfs/dbraw/zinc/27/51/28/609275128.db2.gz QTGUQMHRCACVQA-GOSISDBHSA-N -1 3 382.428 0.951 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC000824818012 609275129 /nfs/dbraw/zinc/27/51/29/609275129.db2.gz QTGUQMHRCACVQA-GOSISDBHSA-N -1 3 382.428 0.951 20 0 GCADHM O=C1[C@H]2CSCN2C(=O)N1C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826477669 609275677 /nfs/dbraw/zinc/27/56/77/609275677.db2.gz IVZBGICDNRMOEN-GFCCVEGCSA-N -1 3 386.441 0.568 20 0 GCADHM O=C1[C@H]2CSCN2C(=O)N1C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826477669 609275679 /nfs/dbraw/zinc/27/56/79/609275679.db2.gz IVZBGICDNRMOEN-GFCCVEGCSA-N -1 3 386.441 0.568 20 0 GCADHM COCCN1CC(=O)N(C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC000826159371 609275894 /nfs/dbraw/zinc/27/58/94/609275894.db2.gz CPDPASVRRSXSCS-UHFFFAOYSA-N -1 3 386.416 0.141 20 0 GCADHM COCCN1CC(=O)N(C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC000826159371 609275895 /nfs/dbraw/zinc/27/58/95/609275895.db2.gz CPDPASVRRSXSCS-UHFFFAOYSA-N -1 3 386.416 0.141 20 0 GCADHM O=C(CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)NC(=O)NC1CC1 ZINC000826414491 609280114 /nfs/dbraw/zinc/28/01/14/609280114.db2.gz YTQLOMYDKYASNM-UHFFFAOYSA-N -1 3 385.363 0.592 20 0 GCADHM CC(=O)NCCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H](C)C(=O)OC(C)(C)C ZINC000823994322 609281753 /nfs/dbraw/zinc/28/17/53/609281753.db2.gz FRURBBYYLOACNP-JTQLQIEISA-N -1 3 391.432 0.503 20 0 GCADHM CC(=O)NCCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H](C)C(=O)OC(C)(C)C ZINC000823994322 609281755 /nfs/dbraw/zinc/28/17/55/609281755.db2.gz FRURBBYYLOACNP-JTQLQIEISA-N -1 3 391.432 0.503 20 0 GCADHM CC(=O)NCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000823994203 609282104 /nfs/dbraw/zinc/28/21/04/609282104.db2.gz DDUVNXBSYLXLJZ-JTQLQIEISA-N -1 3 391.432 0.503 20 0 GCADHM CC(=O)NCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000823994203 609282105 /nfs/dbraw/zinc/28/21/05/609282105.db2.gz DDUVNXBSYLXLJZ-JTQLQIEISA-N -1 3 391.432 0.503 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)Nc1cnc2c(c1)COCC2 ZINC000826437828 609284100 /nfs/dbraw/zinc/28/41/00/609284100.db2.gz CNHTXUAUAFMCLB-UHFFFAOYSA-N -1 3 381.400 0.963 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)Nc1cnc2c(c1)COCC2 ZINC000826437828 609284101 /nfs/dbraw/zinc/28/41/01/609284101.db2.gz CNHTXUAUAFMCLB-UHFFFAOYSA-N -1 3 381.400 0.963 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000825492128 609285860 /nfs/dbraw/zinc/28/58/60/609285860.db2.gz DHICUXGONXJHIR-LRDDRELGSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000825492128 609285861 /nfs/dbraw/zinc/28/58/61/609285861.db2.gz DHICUXGONXJHIR-LRDDRELGSA-N -1 3 389.412 0.720 20 0 GCADHM CS(=O)(=O)CCCC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826222680 609287620 /nfs/dbraw/zinc/28/76/20/609287620.db2.gz HPBSZPWDIQLZGO-UHFFFAOYSA-N -1 3 393.404 0.955 20 0 GCADHM O=S(=O)(NCCCc1nnc2n1CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826490829 609294396 /nfs/dbraw/zinc/29/43/96/609294396.db2.gz JANSBXNSOAKRHC-UHFFFAOYSA-N -1 3 388.457 0.706 20 0 GCADHM O=S(=O)(NCCCc1nnc2n1CCCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826490829 609294397 /nfs/dbraw/zinc/29/43/97/609294397.db2.gz JANSBXNSOAKRHC-UHFFFAOYSA-N -1 3 388.457 0.706 20 0 GCADHM Cc1nnc(SCC(=O)N2CCC3(CC2)OCCO3)c(-c2nnn[n-]2)c1C ZINC000826336887 609306880 /nfs/dbraw/zinc/30/68/80/609306880.db2.gz SQESYHFVFKKUGH-UHFFFAOYSA-N -1 3 391.457 0.731 20 0 GCADHM Cc1nnc(SCC(=O)N2CCC3(CC2)OCCO3)c(-c2nn[n-]n2)c1C ZINC000826336887 609306882 /nfs/dbraw/zinc/30/68/82/609306882.db2.gz SQESYHFVFKKUGH-UHFFFAOYSA-N -1 3 391.457 0.731 20 0 GCADHM Cc1nnc(SCC(=O)N2CCCC[C@@H]2C(N)=O)c(-c2nnn[n-]2)c1C ZINC000826336876 609307078 /nfs/dbraw/zinc/30/70/78/609307078.db2.gz RYWUSTDIIBOICB-SNVBAGLBSA-N -1 3 376.446 0.232 20 0 GCADHM Cc1nnc(SCC(=O)N2CCCC[C@@H]2C(N)=O)c(-c2nn[n-]n2)c1C ZINC000826336876 609307079 /nfs/dbraw/zinc/30/70/79/609307079.db2.gz RYWUSTDIIBOICB-SNVBAGLBSA-N -1 3 376.446 0.232 20 0 GCADHM Cc1nnc(SCC(=O)NCC(=O)N2CCCC2)c(-c2nnn[n-]2)c1C ZINC000826336793 609308810 /nfs/dbraw/zinc/30/88/10/609308810.db2.gz OBSWNQNVMZBHRF-UHFFFAOYSA-N -1 3 376.446 0.104 20 0 GCADHM Cc1nnc(SCC(=O)NCC(=O)N2CCCC2)c(-c2nn[n-]n2)c1C ZINC000826336793 609308811 /nfs/dbraw/zinc/30/88/11/609308811.db2.gz OBSWNQNVMZBHRF-UHFFFAOYSA-N -1 3 376.446 0.104 20 0 GCADHM CN1CC(=O)N(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1=O ZINC000826018274 609311054 /nfs/dbraw/zinc/31/10/54/609311054.db2.gz ULHZWQPZNRKFNV-UHFFFAOYSA-N -1 3 399.346 0.024 20 0 GCADHM CN(C)C(=O)CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000825841787 609311142 /nfs/dbraw/zinc/31/11/42/609311142.db2.gz ZSQPEABIRHYESX-UHFFFAOYSA-N -1 3 393.473 0.209 20 0 GCADHM CN(C)C(=O)CC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000825841787 609311143 /nfs/dbraw/zinc/31/11/43/609311143.db2.gz ZSQPEABIRHYESX-UHFFFAOYSA-N -1 3 393.473 0.209 20 0 GCADHM O=C(Cn1ccccc1=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826424546 609312305 /nfs/dbraw/zinc/31/23/05/609312305.db2.gz RCNJRTZXPCFGQN-UHFFFAOYSA-N -1 3 380.343 0.992 20 0 GCADHM NC(=O)N1CCC[C@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1 ZINC000826392076 609312350 /nfs/dbraw/zinc/31/23/50/609312350.db2.gz MUKGXQNQYBLPDX-JTQLQIEISA-N -1 3 399.390 0.921 20 0 GCADHM CCS(=O)(=O)NCC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825663026 609313105 /nfs/dbraw/zinc/31/31/05/609313105.db2.gz GTMRVFXPUFRYBP-UHFFFAOYSA-N -1 3 394.392 0.069 20 0 GCADHM NC(=O)c1nccnc1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826393951 609313225 /nfs/dbraw/zinc/31/32/25/609313225.db2.gz QNYCHIPIMUAFDQ-UHFFFAOYSA-N -1 3 394.330 0.333 20 0 GCADHM O=C1N[C@@]2(CCOC2)C(=O)N1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826482551 609314151 /nfs/dbraw/zinc/31/41/51/609314151.db2.gz ITVVVEFRVDOEOU-CQSZACIVSA-N -1 3 393.201 0.840 20 0 GCADHM O=C1N[C@@]2(CCOC2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826482551 609314152 /nfs/dbraw/zinc/31/41/52/609314152.db2.gz ITVVVEFRVDOEOU-CQSZACIVSA-N -1 3 393.201 0.840 20 0 GCADHM COC[C@H](CNC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)OC ZINC000826149941 609314837 /nfs/dbraw/zinc/31/48/37/609314837.db2.gz SHWDTJZTCAXISB-INIZCTEOSA-N -1 3 389.460 0.355 20 0 GCADHM COC[C@@H](CNC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)OC ZINC000826149942 609314900 /nfs/dbraw/zinc/31/49/00/609314900.db2.gz SHWDTJZTCAXISB-MRXNPFEDSA-N -1 3 389.460 0.355 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](COC)OC ZINC000826158667 609315730 /nfs/dbraw/zinc/31/57/30/609315730.db2.gz YFVSTUMIDWENDJ-HNNXBMFYSA-N -1 3 378.433 0.686 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](COC)OC ZINC000826158667 609315732 /nfs/dbraw/zinc/31/57/32/609315732.db2.gz YFVSTUMIDWENDJ-HNNXBMFYSA-N -1 3 378.433 0.686 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC000824961756 609317308 /nfs/dbraw/zinc/31/73/08/609317308.db2.gz HZJDZBKBDHSLNQ-GFCCVEGCSA-N -1 3 395.464 0.714 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000825492558 609318505 /nfs/dbraw/zinc/31/85/05/609318505.db2.gz GSNKBFGCNJOQLL-OCCSQVGLSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC000825492558 609318507 /nfs/dbraw/zinc/31/85/07/609318507.db2.gz GSNKBFGCNJOQLL-OCCSQVGLSA-N -1 3 395.441 0.503 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826128941 609328890 /nfs/dbraw/zinc/32/88/90/609328890.db2.gz ITSYWORWTOTWRN-QWHCGFSZSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826128941 609328891 /nfs/dbraw/zinc/32/88/91/609328891.db2.gz ITSYWORWTOTWRN-QWHCGFSZSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826129759 609329354 /nfs/dbraw/zinc/32/93/54/609329354.db2.gz ZWENEECSVRVGTG-QWHCGFSZSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826129759 609329355 /nfs/dbraw/zinc/32/93/55/609329355.db2.gz ZWENEECSVRVGTG-QWHCGFSZSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826129442 609329509 /nfs/dbraw/zinc/32/95/09/609329509.db2.gz SGYDXCZRZFSVRS-JQWIXIFHSA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826129442 609329511 /nfs/dbraw/zinc/32/95/11/609329511.db2.gz SGYDXCZRZFSVRS-JQWIXIFHSA-N -1 3 381.414 0.208 20 0 GCADHM CS(=O)(=O)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826222465 609344401 /nfs/dbraw/zinc/34/44/01/609344401.db2.gz XUWDWMJNSWUQDP-UHFFFAOYSA-N -1 3 375.204 0.717 20 0 GCADHM CS(=O)(=O)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826222465 609344403 /nfs/dbraw/zinc/34/44/03/609344403.db2.gz XUWDWMJNSWUQDP-UHFFFAOYSA-N -1 3 375.204 0.717 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826129672 609344457 /nfs/dbraw/zinc/34/44/57/609344457.db2.gz YDPIRPACOGEBAV-ZIAGYGMSSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826128903 609344593 /nfs/dbraw/zinc/34/45/93/609344593.db2.gz IPHXXSOJTJPYFL-YPMHNXCESA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826128903 609344594 /nfs/dbraw/zinc/34/45/94/609344594.db2.gz IPHXXSOJTJPYFL-YPMHNXCESA-N -1 3 375.385 0.425 20 0 GCADHM O=C(OCc1ccc(-c2nnn[n-]2)cc1Br)C1CC(=O)NC(=O)C1 ZINC000826478969 609345341 /nfs/dbraw/zinc/34/53/41/609345341.db2.gz NJYJJHIOUIYJAX-UHFFFAOYSA-N -1 3 394.185 0.725 20 0 GCADHM O=C(OCc1ccc(-c2nn[n-]n2)cc1Br)C1CC(=O)NC(=O)C1 ZINC000826478969 609345342 /nfs/dbraw/zinc/34/53/42/609345342.db2.gz NJYJJHIOUIYJAX-UHFFFAOYSA-N -1 3 394.185 0.725 20 0 GCADHM O=C(CN1CC(=O)NC1=O)OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826481186 609347143 /nfs/dbraw/zinc/34/71/43/609347143.db2.gz KLMNDDCKYGBNBW-UHFFFAOYSA-N -1 3 395.173 0.224 20 0 GCADHM COCCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826156075 609353409 /nfs/dbraw/zinc/35/34/09/609353409.db2.gz OMIUVJASRUTTPV-UHFFFAOYSA-N -1 3 388.363 0.283 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000826184646 609357244 /nfs/dbraw/zinc/35/72/44/609357244.db2.gz FNSXBNGEBVMSMQ-TZMCWYRMSA-N -1 3 388.428 0.823 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000826184646 609357245 /nfs/dbraw/zinc/35/72/45/609357245.db2.gz FNSXBNGEBVMSMQ-TZMCWYRMSA-N -1 3 388.428 0.823 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)NCC1CC1 ZINC000826411548 609357501 /nfs/dbraw/zinc/35/75/01/609357501.db2.gz CRKWRZOFLPTXCA-UHFFFAOYSA-N -1 3 377.792 0.101 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)NCC1CC1 ZINC000826411548 609357503 /nfs/dbraw/zinc/35/75/03/609357503.db2.gz CRKWRZOFLPTXCA-UHFFFAOYSA-N -1 3 377.792 0.101 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N[C@H]1CCCCNC1=O ZINC000826458539 609359530 /nfs/dbraw/zinc/35/95/30/609359530.db2.gz UKVZWHNQEIHDTJ-NSHDSACASA-N -1 3 399.390 0.982 20 0 GCADHM COC[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)OC ZINC000826149546 609364213 /nfs/dbraw/zinc/36/42/13/609364213.db2.gz JZSJHYNZQLNYAX-SNVBAGLBSA-N -1 3 390.379 0.974 20 0 GCADHM O=C(NCc1cocn1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826443209 609366662 /nfs/dbraw/zinc/36/66/62/609366662.db2.gz GGJJUEMRWCMIOF-UHFFFAOYSA-N -1 3 397.330 0.434 20 0 GCADHM NS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826394191 609368215 /nfs/dbraw/zinc/36/82/15/609368215.db2.gz ANIAWFXFTGEKTF-SNVBAGLBSA-N -1 3 387.263 0.492 20 0 GCADHM NS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826394191 609368217 /nfs/dbraw/zinc/36/82/17/609368217.db2.gz ANIAWFXFTGEKTF-SNVBAGLBSA-N -1 3 387.263 0.492 20 0 GCADHM CN(C)C(=O)CC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825841260 609368347 /nfs/dbraw/zinc/36/83/47/609368347.db2.gz UMVHSHSWQOTTFU-UHFFFAOYSA-N -1 3 385.428 0.522 20 0 GCADHM CN(C)C(=O)CC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825841260 609368349 /nfs/dbraw/zinc/36/83/49/609368349.db2.gz UMVHSHSWQOTTFU-UHFFFAOYSA-N -1 3 385.428 0.522 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000826129633 609368643 /nfs/dbraw/zinc/36/86/43/609368643.db2.gz XCSBWQKIDCCTHD-VXGBXAGGSA-N -1 3 392.416 0.667 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826129468 609368849 /nfs/dbraw/zinc/36/88/49/609368849.db2.gz SWLGMOIGMMCFKW-BMFZPTHFSA-N -1 3 391.428 0.259 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826128284 609369128 /nfs/dbraw/zinc/36/91/28/609369128.db2.gz BGKRNRIVLJLGCT-CMPLNLGQSA-N -1 3 394.457 0.909 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826128284 609369132 /nfs/dbraw/zinc/36/91/32/609369132.db2.gz BGKRNRIVLJLGCT-CMPLNLGQSA-N -1 3 394.457 0.909 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C(=O)N1CC=CCC1 ZINC000826458287 609369614 /nfs/dbraw/zinc/36/96/14/609369614.db2.gz KLRZPPPXWBDCRX-UHFFFAOYSA-N -1 3 382.359 0.919 20 0 GCADHM COC(=O)[C@@H](NCC1(C(=O)OC)CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826112010 609374188 /nfs/dbraw/zinc/37/41/88/609374188.db2.gz QDZXJIDMPJMJND-AWEZNQCLSA-N -1 3 389.412 0.640 20 0 GCADHM COC(=O)[C@@H](NCC1(C(=O)OC)CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826112010 609374189 /nfs/dbraw/zinc/37/41/89/609374189.db2.gz QDZXJIDMPJMJND-AWEZNQCLSA-N -1 3 389.412 0.640 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826470248 609377588 /nfs/dbraw/zinc/37/75/88/609377588.db2.gz JNMCIFVBPCVDCC-ZDUSSCGKSA-N -1 3 393.473 0.661 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826470248 609377590 /nfs/dbraw/zinc/37/75/90/609377590.db2.gz JNMCIFVBPCVDCC-ZDUSSCGKSA-N -1 3 393.473 0.661 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000826233752 609384048 /nfs/dbraw/zinc/38/40/48/609384048.db2.gz UWXLGTTZDFZZAY-UHFFFAOYSA-N -1 3 385.432 0.106 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000826233752 609384049 /nfs/dbraw/zinc/38/40/49/609384049.db2.gz UWXLGTTZDFZZAY-UHFFFAOYSA-N -1 3 385.432 0.106 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826422487 609389020 /nfs/dbraw/zinc/38/90/20/609389020.db2.gz BELZXXAYXWWPRB-QGZVFWFLSA-N -1 3 386.456 0.359 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](OCCN2CCOCC2)C1 ZINC000826422487 609389023 /nfs/dbraw/zinc/38/90/23/609389023.db2.gz BELZXXAYXWWPRB-QGZVFWFLSA-N -1 3 386.456 0.359 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826359132 609393123 /nfs/dbraw/zinc/39/31/23/609393123.db2.gz WWJYPHLYQFKYPB-HZPDHXFCSA-N -1 3 382.428 0.419 20 0 GCADHM CN1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1=O ZINC000826044461 609397520 /nfs/dbraw/zinc/39/75/20/609397520.db2.gz FYICSHVIQNQVCG-UHFFFAOYSA-N -1 3 376.320 0.306 20 0 GCADHM CN1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1=O ZINC000826044461 609397523 /nfs/dbraw/zinc/39/75/23/609397523.db2.gz FYICSHVIQNQVCG-UHFFFAOYSA-N -1 3 376.320 0.306 20 0 GCADHM CN1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CC1=O ZINC000826045369 609397799 /nfs/dbraw/zinc/39/77/99/609397799.db2.gz VQMDBNBBORLDBJ-UHFFFAOYSA-N -1 3 376.320 0.306 20 0 GCADHM CCN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825439481 609400303 /nfs/dbraw/zinc/40/03/03/609400303.db2.gz DFOUZRZKVNFCSM-UHFFFAOYSA-N -1 3 382.837 0.859 20 0 GCADHM CCN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825439481 609400305 /nfs/dbraw/zinc/40/03/05/609400305.db2.gz DFOUZRZKVNFCSM-UHFFFAOYSA-N -1 3 382.837 0.859 20 0 GCADHM C[C@H](c1ccccc1)[C@H](CO)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824773141 609404014 /nfs/dbraw/zinc/40/40/14/609404014.db2.gz YQEKVZHTUGYBGO-DYVFJYSZSA-N -1 3 394.435 0.877 20 0 GCADHM C[C@H](c1ccccc1)[C@H](CO)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824773141 609404017 /nfs/dbraw/zinc/40/40/17/609404017.db2.gz YQEKVZHTUGYBGO-DYVFJYSZSA-N -1 3 394.435 0.877 20 0 GCADHM COC[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C(=O)OC ZINC000826150348 609404412 /nfs/dbraw/zinc/40/44/12/609404412.db2.gz BZELEFLFZJBMCA-LLVKDONJSA-N -1 3 394.457 0.583 20 0 GCADHM COC[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C(=O)OC ZINC000826150348 609404413 /nfs/dbraw/zinc/40/44/13/609404413.db2.gz BZELEFLFZJBMCA-LLVKDONJSA-N -1 3 394.457 0.583 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)c1cccc(F)c1 ZINC000826411776 609407148 /nfs/dbraw/zinc/40/71/48/609407148.db2.gz MZDSDZRJEWAFAM-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)c1cccc(F)c1 ZINC000826411776 609407150 /nfs/dbraw/zinc/40/71/50/609407150.db2.gz MZDSDZRJEWAFAM-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)Cc1ccc(F)cc1 ZINC000826411791 609407522 /nfs/dbraw/zinc/40/75/22/609407522.db2.gz NQOANHGFWBVLBU-INIZCTEOSA-N -1 3 398.398 0.455 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)Cc1ccc(F)cc1 ZINC000826411791 609407524 /nfs/dbraw/zinc/40/75/24/609407524.db2.gz NQOANHGFWBVLBU-INIZCTEOSA-N -1 3 398.398 0.455 20 0 GCADHM CC[C@](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)(C(N)=O)C(C)C ZINC000825134792 609410068 /nfs/dbraw/zinc/41/00/68/609410068.db2.gz WSXGQQANERNRPU-QGZVFWFLSA-N -1 3 376.417 0.660 20 0 GCADHM CC[C@](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)(C(N)=O)C(C)C ZINC000825134792 609410070 /nfs/dbraw/zinc/41/00/70/609410070.db2.gz WSXGQQANERNRPU-QGZVFWFLSA-N -1 3 376.417 0.660 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cc(C)c(=O)n(C)c2)cc1-c1nnn[n-]1 ZINC000826196190 609414598 /nfs/dbraw/zinc/41/45/98/609414598.db2.gz SPWSOFIARKYCIV-UHFFFAOYSA-N -1 3 397.395 0.137 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cc(C)c(=O)n(C)c2)cc1-c1nn[n-]n1 ZINC000826196190 609414599 /nfs/dbraw/zinc/41/45/99/609414599.db2.gz SPWSOFIARKYCIV-UHFFFAOYSA-N -1 3 397.395 0.137 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cn(C)c1=O ZINC000826269225 609414672 /nfs/dbraw/zinc/41/46/72/609414672.db2.gz FNKWHZKUHXESBR-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cn(C)c1=O ZINC000826269225 609414674 /nfs/dbraw/zinc/41/46/74/609414674.db2.gz FNKWHZKUHXESBR-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)n(C)c1 ZINC000378500540 609418402 /nfs/dbraw/zinc/41/84/02/609418402.db2.gz ULUWKELWWSSXNF-UHFFFAOYSA-N -1 3 375.414 0.708 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)n(C)c1 ZINC000378500540 609418406 /nfs/dbraw/zinc/41/84/06/609418406.db2.gz ULUWKELWWSSXNF-UHFFFAOYSA-N -1 3 375.414 0.708 20 0 GCADHM O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826411255 609421526 /nfs/dbraw/zinc/42/15/26/609421526.db2.gz QZUZUKBJHBDNAI-UHFFFAOYSA-N -1 3 396.411 0.718 20 0 GCADHM O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826411255 609421528 /nfs/dbraw/zinc/42/15/28/609421528.db2.gz QZUZUKBJHBDNAI-UHFFFAOYSA-N -1 3 396.411 0.718 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826472522 609428447 /nfs/dbraw/zinc/42/84/47/609428447.db2.gz NAYSFOUAGBOIPD-UHFFFAOYSA-N -1 3 386.803 0.978 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826472522 609428450 /nfs/dbraw/zinc/42/84/50/609428450.db2.gz NAYSFOUAGBOIPD-UHFFFAOYSA-N -1 3 386.803 0.978 20 0 GCADHM CC(C)Cn1ncnc1CN(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824285120 609429731 /nfs/dbraw/zinc/42/97/31/609429731.db2.gz YBBRCURAOINFIK-UHFFFAOYSA-N -1 3 376.446 0.935 20 0 GCADHM CC(C)Cn1ncnc1CN(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824285120 609429733 /nfs/dbraw/zinc/42/97/33/609429733.db2.gz YBBRCURAOINFIK-UHFFFAOYSA-N -1 3 376.446 0.935 20 0 GCADHM CNC(=O)[C@H]1CN(Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CCO1 ZINC000826060668 609431065 /nfs/dbraw/zinc/43/10/65/609431065.db2.gz QLDRQPRLZWSTII-OAHLLOKOSA-N -1 3 382.428 0.308 20 0 GCADHM O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826479655 609438707 /nfs/dbraw/zinc/43/87/07/609438707.db2.gz DYTGMWMVUASVCV-RISCZKNCSA-N -1 3 395.416 0.765 20 0 GCADHM O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826479653 609439016 /nfs/dbraw/zinc/43/90/16/609439016.db2.gz DYTGMWMVUASVCV-BXUZGUMPSA-N -1 3 395.416 0.765 20 0 GCADHM CN1CCN(C(=O)c2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826038550 609445677 /nfs/dbraw/zinc/44/56/77/609445677.db2.gz QOJRJPXNWMMSPX-UHFFFAOYSA-N -1 3 380.412 0.835 20 0 GCADHM CC(C)NS(=O)(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824305343 609445917 /nfs/dbraw/zinc/44/59/17/609445917.db2.gz NUAKIBGQAYTZPU-UHFFFAOYSA-N -1 3 381.462 0.784 20 0 GCADHM CC(C)NS(=O)(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824305343 609445920 /nfs/dbraw/zinc/44/59/20/609445920.db2.gz NUAKIBGQAYTZPU-UHFFFAOYSA-N -1 3 381.462 0.784 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cc(-n2ccnc2)ccn1 ZINC000826438351 609446537 /nfs/dbraw/zinc/44/65/37/609446537.db2.gz YYRMLXCMDAHAFY-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cc(-n2ccnc2)ccn1 ZINC000826438351 609446538 /nfs/dbraw/zinc/44/65/38/609446538.db2.gz YYRMLXCMDAHAFY-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826486375 609447587 /nfs/dbraw/zinc/44/75/87/609447587.db2.gz AJDXUPIHDSAIEV-AWEZNQCLSA-N -1 3 388.457 0.700 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](Cn2cncn2)C1 ZINC000826486375 609447590 /nfs/dbraw/zinc/44/75/90/609447590.db2.gz AJDXUPIHDSAIEV-AWEZNQCLSA-N -1 3 388.457 0.700 20 0 GCADHM NC(=O)[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000826389094 609451438 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SFVKIGJMZPBHNH-HZMBPMFUSA-N -1 3 385.384 0.926 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825499389 609506014 /nfs/dbraw/zinc/50/60/14/609506014.db2.gz MECBNVMHQYQKTK-CQSZACIVSA-N -1 3 379.442 0.972 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825499389 609506015 /nfs/dbraw/zinc/50/60/15/609506015.db2.gz MECBNVMHQYQKTK-CQSZACIVSA-N -1 3 379.442 0.972 20 0 GCADHM O=C(NC[C@@H]1CCCO1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826435572 609509229 /nfs/dbraw/zinc/50/92/29/609509229.db2.gz RDVNDWSYZWLZAS-GJZGRUSLSA-N -1 3 385.428 0.840 20 0 GCADHM O=C(NC[C@@H]1CCCO1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826435572 609509232 /nfs/dbraw/zinc/50/92/32/609509232.db2.gz RDVNDWSYZWLZAS-GJZGRUSLSA-N -1 3 385.428 0.840 20 0 GCADHM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825308212 609509344 /nfs/dbraw/zinc/50/93/44/609509344.db2.gz XOQHVONMXJIUQM-AWEZNQCLSA-N -1 3 399.498 0.596 20 0 GCADHM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825308212 609509346 /nfs/dbraw/zinc/50/93/46/609509346.db2.gz XOQHVONMXJIUQM-AWEZNQCLSA-N -1 3 399.498 0.596 20 0 GCADHM CNC(=O)C1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC000826059970 609513990 /nfs/dbraw/zinc/51/39/90/609513990.db2.gz DFYMEBBWWOTMBE-UHFFFAOYSA-N -1 3 394.439 0.959 20 0 GCADHM CNC(=O)C1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC000826059970 609513993 /nfs/dbraw/zinc/51/39/93/609513993.db2.gz DFYMEBBWWOTMBE-UHFFFAOYSA-N -1 3 394.439 0.959 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000826486146 609516519 /nfs/dbraw/zinc/51/65/19/609516519.db2.gz QRSRJLOYHVAGTG-UHFFFAOYSA-N -1 3 399.480 0.909 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000826486146 609516520 /nfs/dbraw/zinc/51/65/20/609516520.db2.gz QRSRJLOYHVAGTG-UHFFFAOYSA-N -1 3 399.480 0.909 20 0 GCADHM Cc1cc(NC(=O)CN2CCN(c3nccc(C)c3-c3nnn[n-]3)CC2)no1 ZINC000826270211 609527216 /nfs/dbraw/zinc/52/72/16/609527216.db2.gz QDILTUASYRYAJQ-UHFFFAOYSA-N -1 3 383.416 0.627 20 0 GCADHM Cc1cc(NC(=O)CN2CCN(c3nccc(C)c3-c3nn[n-]n3)CC2)no1 ZINC000826270211 609527218 /nfs/dbraw/zinc/52/72/18/609527218.db2.gz QDILTUASYRYAJQ-UHFFFAOYSA-N -1 3 383.416 0.627 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(S(=O)(=O)N(C)C)CC2)c1-c1nnn[n-]1 ZINC000826238132 609530116 /nfs/dbraw/zinc/53/01/16/609530116.db2.gz XDQLOVUGXMKQIC-UHFFFAOYSA-N -1 3 386.869 0.152 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(S(=O)(=O)N(C)C)CC2)c1-c1nn[n-]n1 ZINC000826238132 609530117 /nfs/dbraw/zinc/53/01/17/609530117.db2.gz XDQLOVUGXMKQIC-UHFFFAOYSA-N -1 3 386.869 0.152 20 0 GCADHM Cc1cc(N2CCN(c3nccc(C)c3-c3nnn[n-]3)CC2)n2ncnc2n1 ZINC000826269634 609530829 /nfs/dbraw/zinc/53/08/29/609530829.db2.gz RQNTYOUNDCNGDN-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM Cc1cc(N2CCN(c3nccc(C)c3-c3nn[n-]n3)CC2)n2ncnc2n1 ZINC000826269634 609530831 /nfs/dbraw/zinc/53/08/31/609530831.db2.gz RQNTYOUNDCNGDN-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825839514 609536438 /nfs/dbraw/zinc/53/64/38/609536438.db2.gz IDBLYKMGWGLWCS-LLVKDONJSA-N -1 3 384.849 0.761 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825839514 609536439 /nfs/dbraw/zinc/53/64/39/609536439.db2.gz IDBLYKMGWGLWCS-LLVKDONJSA-N -1 3 384.849 0.761 20 0 GCADHM C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824419648 609537812 /nfs/dbraw/zinc/53/78/12/609537812.db2.gz BBUASXJZPNUNGL-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM C[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824419648 609537813 /nfs/dbraw/zinc/53/78/13/609537813.db2.gz BBUASXJZPNUNGL-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824909863 609538668 /nfs/dbraw/zinc/53/86/68/609538668.db2.gz VKVURSDALWYUKM-WPRPVWTQSA-N -1 3 384.849 0.795 20 0 GCADHM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824909863 609538669 /nfs/dbraw/zinc/53/86/69/609538669.db2.gz VKVURSDALWYUKM-WPRPVWTQSA-N -1 3 384.849 0.795 20 0 GCADHM C[C@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824413678 609539938 /nfs/dbraw/zinc/53/99/38/609539938.db2.gz OGQLXWVVDIDKKH-SECBINFHSA-N -1 3 384.849 0.809 20 0 GCADHM C[C@H](CN1CCCC1=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824413678 609539940 /nfs/dbraw/zinc/53/99/40/609539940.db2.gz OGQLXWVVDIDKKH-SECBINFHSA-N -1 3 384.849 0.809 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nnn[n-]1)c1cn2c(n1)CCCC2 ZINC000826491736 609541629 /nfs/dbraw/zinc/54/16/29/609541629.db2.gz YFUDDMVZEQPFIC-UHFFFAOYSA-N -1 3 389.445 0.185 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nn[n-]n1)c1cn2c(n1)CCCC2 ZINC000826491736 609541630 /nfs/dbraw/zinc/54/16/30/609541630.db2.gz YFUDDMVZEQPFIC-UHFFFAOYSA-N -1 3 389.445 0.185 20 0 GCADHM CN(CCN1CCOCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825937402 609543292 /nfs/dbraw/zinc/54/32/92/609543292.db2.gz CIFBQXVXFNYAHP-UHFFFAOYSA-N -1 3 386.865 0.473 20 0 GCADHM CN(CCN1CCOCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825937402 609543293 /nfs/dbraw/zinc/54/32/93/609543293.db2.gz CIFBQXVXFNYAHP-UHFFFAOYSA-N -1 3 386.865 0.473 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824449917 609545026 /nfs/dbraw/zinc/54/50/26/609545026.db2.gz QQQPAZXPHWNMSN-MRVPVSSYSA-N -1 3 393.878 0.574 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824449917 609545028 /nfs/dbraw/zinc/54/50/28/609545028.db2.gz QQQPAZXPHWNMSN-MRVPVSSYSA-N -1 3 393.878 0.574 20 0 GCADHM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826060435 609545784 /nfs/dbraw/zinc/54/57/84/609545784.db2.gz MQVFQIRLHWIOKZ-JTQLQIEISA-N -1 3 384.849 0.667 20 0 GCADHM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826060435 609545785 /nfs/dbraw/zinc/54/57/85/609545785.db2.gz MQVFQIRLHWIOKZ-JTQLQIEISA-N -1 3 384.849 0.667 20 0 GCADHM CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825946095 609545845 /nfs/dbraw/zinc/54/58/45/609545845.db2.gz INVLKQOSSYQENP-UHFFFAOYSA-N -1 3 379.851 0.185 20 0 GCADHM CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825946095 609545846 /nfs/dbraw/zinc/54/58/46/609545846.db2.gz INVLKQOSSYQENP-UHFFFAOYSA-N -1 3 379.851 0.185 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826389976 609547783 /nfs/dbraw/zinc/54/77/83/609547783.db2.gz MRDZDFPZVJRKEC-WCBMZHEXSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826389976 609547785 /nfs/dbraw/zinc/54/77/85/609547785.db2.gz MRDZDFPZVJRKEC-WCBMZHEXSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826389975 609548348 /nfs/dbraw/zinc/54/83/48/609548348.db2.gz MRDZDFPZVJRKEC-SCZZXKLOSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826389975 609548349 /nfs/dbraw/zinc/54/83/49/609548349.db2.gz MRDZDFPZVJRKEC-SCZZXKLOSA-N -1 3 384.849 0.843 20 0 GCADHM COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826154737 609549579 /nfs/dbraw/zinc/54/95/79/609549579.db2.gz WTLJZQRQBHNFOB-CYBMUJFWSA-N -1 3 375.838 0.586 20 0 GCADHM COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826154737 609549581 /nfs/dbraw/zinc/54/95/81/609549581.db2.gz WTLJZQRQBHNFOB-CYBMUJFWSA-N -1 3 375.838 0.586 20 0 GCADHM O=S(=O)(NC[C@H](O)COCC1CC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826489324 609550917 /nfs/dbraw/zinc/55/09/17/609550917.db2.gz MJZMJPPBUKAAAQ-NSHDSACASA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NC[C@H](O)COCC1CC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826489324 609550918 /nfs/dbraw/zinc/55/09/18/609550918.db2.gz MJZMJPPBUKAAAQ-NSHDSACASA-N -1 3 387.849 0.586 20 0 GCADHM Cc1cc(C(=O)N2CCn3c(C)nnc3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258412 609554097 /nfs/dbraw/zinc/55/40/97/609554097.db2.gz KQNVNLGCQQRMOB-UHFFFAOYSA-N -1 3 390.411 0.917 20 0 GCADHM Cc1cc(C(=O)N2CCn3c(C)nnc3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258412 609554101 /nfs/dbraw/zinc/55/41/01/609554101.db2.gz KQNVNLGCQQRMOB-UHFFFAOYSA-N -1 3 390.411 0.917 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCN1C1CC1 ZINC000826481506 609554498 /nfs/dbraw/zinc/55/44/98/609554498.db2.gz XHXRZIFWNQKTJL-UHFFFAOYSA-N -1 3 382.833 0.515 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCN1C1CC1 ZINC000826481506 609554500 /nfs/dbraw/zinc/55/45/00/609554500.db2.gz XHXRZIFWNQKTJL-UHFFFAOYSA-N -1 3 382.833 0.515 20 0 GCADHM CCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825034932 609557145 /nfs/dbraw/zinc/55/71/45/609557145.db2.gz ULRRRPAVBAAIKS-SNVBAGLBSA-N -1 3 384.849 0.809 20 0 GCADHM CCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825034932 609557148 /nfs/dbraw/zinc/55/71/48/609557148.db2.gz ULRRRPAVBAAIKS-SNVBAGLBSA-N -1 3 384.849 0.809 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)[S@@](C)=O ZINC000824402101 609557452 /nfs/dbraw/zinc/55/74/52/609557452.db2.gz UETJEETYPVELLJ-CWMRNNLJSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)[S@@](C)=O ZINC000824402101 609557454 /nfs/dbraw/zinc/55/74/54/609557454.db2.gz UETJEETYPVELLJ-CWMRNNLJSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824406242 609557528 /nfs/dbraw/zinc/55/75/28/609557528.db2.gz GNQNRDAOUKMXCE-QMMMGPOBSA-N -1 3 393.878 0.622 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824406242 609557529 /nfs/dbraw/zinc/55/75/29/609557529.db2.gz GNQNRDAOUKMXCE-QMMMGPOBSA-N -1 3 393.878 0.622 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1CN(C)CCO1 ZINC000824641625 609559203 /nfs/dbraw/zinc/55/92/03/609559203.db2.gz XUFSOEYHWQHSJG-BXKDBHETSA-N -1 3 386.865 0.518 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CN(C)CCO1 ZINC000824641625 609559205 /nfs/dbraw/zinc/55/92/05/609559205.db2.gz XUFSOEYHWQHSJG-BXKDBHETSA-N -1 3 386.865 0.518 20 0 GCADHM CC(C)C(=O)NCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824178491 609562037 /nfs/dbraw/zinc/56/20/37/609562037.db2.gz UVXAJWVDIBQTHA-UHFFFAOYSA-N -1 3 386.865 0.961 20 0 GCADHM CC(C)C(=O)NCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824178491 609562038 /nfs/dbraw/zinc/56/20/38/609562038.db2.gz UVXAJWVDIBQTHA-UHFFFAOYSA-N -1 3 386.865 0.961 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826255597 609571258 /nfs/dbraw/zinc/57/12/58/609571258.db2.gz DCHBTKSSNHLDOB-GJZGRUSLSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826255597 609571260 /nfs/dbraw/zinc/57/12/60/609571260.db2.gz DCHBTKSSNHLDOB-GJZGRUSLSA-N -1 3 392.485 0.395 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826495151 609572055 /nfs/dbraw/zinc/57/20/55/609572055.db2.gz DWKCFSGRJVMJIP-HUUCEWRRSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826495151 609572056 /nfs/dbraw/zinc/57/20/56/609572056.db2.gz DWKCFSGRJVMJIP-HUUCEWRRSA-N -1 3 396.448 0.226 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000826279474 609574744 /nfs/dbraw/zinc/57/47/44/609574744.db2.gz RDTMKVHTCARAPC-UHFFFAOYSA-N -1 3 388.457 0.852 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000826279474 609574747 /nfs/dbraw/zinc/57/47/47/609574747.db2.gz RDTMKVHTCARAPC-UHFFFAOYSA-N -1 3 388.457 0.852 20 0 GCADHM NC(=O)c1cncc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826393849 609575785 /nfs/dbraw/zinc/57/57/85/609575785.db2.gz MICGDLMWVQNUOU-LBPRGKRZSA-N -1 3 379.384 0.363 20 0 GCADHM NC(=O)c1cncc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826393849 609575786 /nfs/dbraw/zinc/57/57/86/609575786.db2.gz MICGDLMWVQNUOU-LBPRGKRZSA-N -1 3 379.384 0.363 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259499 609577359 /nfs/dbraw/zinc/57/73/59/609577359.db2.gz UTYXLHWOIFHQNH-HIFRSBDPSA-N -1 3 396.411 0.124 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259499 609577363 /nfs/dbraw/zinc/57/73/63/609577363.db2.gz UTYXLHWOIFHQNH-HIFRSBDPSA-N -1 3 396.411 0.124 20 0 GCADHM Cc1cc(C(=O)NC2(C(N)=O)CCCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258425 609579069 /nfs/dbraw/zinc/57/90/69/609579069.db2.gz LBJAHDBSGFJPQP-UHFFFAOYSA-N -1 3 380.412 0.889 20 0 GCADHM Cc1cc(C(=O)NC2(C(N)=O)CCCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258425 609579070 /nfs/dbraw/zinc/57/90/70/609579070.db2.gz LBJAHDBSGFJPQP-UHFFFAOYSA-N -1 3 380.412 0.889 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1-c1nnn[n-]1 ZINC000826302819 609583572 /nfs/dbraw/zinc/58/35/72/609583572.db2.gz TWCUKEDCNNIFKO-NSHDSACASA-N -1 3 376.442 0.464 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1-c1nn[n-]n1 ZINC000826302819 609583574 /nfs/dbraw/zinc/58/35/74/609583574.db2.gz TWCUKEDCNNIFKO-NSHDSACASA-N -1 3 376.442 0.464 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826255602 609585063 /nfs/dbraw/zinc/58/50/63/609585063.db2.gz DEJOTKATOHTZGH-NSHDSACASA-N -1 3 376.442 0.464 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826255602 609585064 /nfs/dbraw/zinc/58/50/64/609585064.db2.gz DEJOTKATOHTZGH-NSHDSACASA-N -1 3 376.442 0.464 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CN1C1CC1 ZINC000826478866 609585655 /nfs/dbraw/zinc/58/56/55/609585655.db2.gz KWPAVRRJTSYIMK-SECBINFHSA-N -1 3 396.860 0.809 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CN1C1CC1 ZINC000826478866 609585658 /nfs/dbraw/zinc/58/56/58/609585658.db2.gz KWPAVRRJTSYIMK-SECBINFHSA-N -1 3 396.860 0.809 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CN1C1CC1 ZINC000826478885 609585972 /nfs/dbraw/zinc/58/59/72/609585972.db2.gz LJOZRWAIILKWTL-SECBINFHSA-N -1 3 380.405 0.295 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CN1C1CC1 ZINC000826478885 609585974 /nfs/dbraw/zinc/58/59/74/609585974.db2.gz LJOZRWAIILKWTL-SECBINFHSA-N -1 3 380.405 0.295 20 0 GCADHM Cc1ccnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826310198 609586864 /nfs/dbraw/zinc/58/68/64/609586864.db2.gz OFRUDGDJHAHOJV-ZDUSSCGKSA-N -1 3 393.473 0.201 20 0 GCADHM Cc1ccnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826310198 609586865 /nfs/dbraw/zinc/58/68/65/609586865.db2.gz OFRUDGDJHAHOJV-ZDUSSCGKSA-N -1 3 393.473 0.201 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccccn2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477749 609588131 /nfs/dbraw/zinc/58/81/31/609588131.db2.gz KKYSIVJXWJDUJH-CQSZACIVSA-N -1 3 399.436 0.736 20 0 GCADHM C[S@](=O)CCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826224701 609602969 /nfs/dbraw/zinc/60/29/69/609602969.db2.gz KENFRZZPFIWCKA-QWVSSGJLSA-N -1 3 391.457 0.040 20 0 GCADHM C[S@](=O)CCNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826224701 609602971 /nfs/dbraw/zinc/60/29/71/609602971.db2.gz KENFRZZPFIWCKA-QWVSSGJLSA-N -1 3 391.457 0.040 20 0 GCADHM Cn1ccnc1CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826364177 609603974 /nfs/dbraw/zinc/60/39/74/609603974.db2.gz NHTZKGWORGYURX-AWEZNQCLSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1ccnc1CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826364177 609603976 /nfs/dbraw/zinc/60/39/76/609603976.db2.gz NHTZKGWORGYURX-AWEZNQCLSA-N -1 3 395.427 0.595 20 0 GCADHM CC(=O)NC1CCC(N(C)c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000823989108 609605848 /nfs/dbraw/zinc/60/58/48/609605848.db2.gz MVTVEOJDDDALPE-UHFFFAOYSA-N -1 3 393.473 0.398 20 0 GCADHM CC(=O)NC1CCC(N(C)c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000823989108 609605850 /nfs/dbraw/zinc/60/58/50/609605850.db2.gz MVTVEOJDDDALPE-UHFFFAOYSA-N -1 3 393.473 0.398 20 0 GCADHM O=C(NCc1ccon1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826443139 609607085 /nfs/dbraw/zinc/60/70/85/609607085.db2.gz CIHVDYWNJIKXPG-CQSZACIVSA-N -1 3 382.384 0.850 20 0 GCADHM O=C(NCc1ccon1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826443139 609607087 /nfs/dbraw/zinc/60/70/87/609607087.db2.gz CIHVDYWNJIKXPG-CQSZACIVSA-N -1 3 382.384 0.850 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(C)C ZINC000823989220 609609514 /nfs/dbraw/zinc/60/95/14/609609514.db2.gz QHVZOFCRHGDOHN-HOTGVXAUSA-N -1 3 399.455 0.639 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(C)C ZINC000823989220 609609515 /nfs/dbraw/zinc/60/95/15/609609515.db2.gz QHVZOFCRHGDOHN-HOTGVXAUSA-N -1 3 399.455 0.639 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000826417234 609610971 /nfs/dbraw/zinc/61/09/71/609610971.db2.gz JMUALPDTHZIWCD-INIZCTEOSA-N -1 3 393.407 0.952 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H]2CCCCS2(=O)=O)cc1-c1nnn[n-]1 ZINC000826199645 609611207 /nfs/dbraw/zinc/61/12/07/609611207.db2.gz HCYRJHAFHVRVBU-GFCCVEGCSA-N -1 3 394.457 0.642 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H]2CCCCS2(=O)=O)cc1-c1nn[n-]n1 ZINC000826199645 609611209 /nfs/dbraw/zinc/61/12/09/609611209.db2.gz HCYRJHAFHVRVBU-GFCCVEGCSA-N -1 3 394.457 0.642 20 0 GCADHM CC1(C)NC(=O)N(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)C1=O ZINC000824811853 609614317 /nfs/dbraw/zinc/61/43/17/609614317.db2.gz FKIOOUNCVAKEQB-UHFFFAOYSA-N -1 3 378.776 0.894 20 0 GCADHM CC1(C)NC(=O)N(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)C1=O ZINC000824811853 609614319 /nfs/dbraw/zinc/61/43/19/609614319.db2.gz FKIOOUNCVAKEQB-UHFFFAOYSA-N -1 3 378.776 0.894 20 0 GCADHM O=C(Cn1ncn2nccc2c1=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826425672 609615438 /nfs/dbraw/zinc/61/54/38/609615438.db2.gz OAJGQJITDMKPLC-UHFFFAOYSA-N -1 3 386.759 0.468 20 0 GCADHM O=C(Cn1ncn2nccc2c1=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826425672 609615439 /nfs/dbraw/zinc/61/54/39/609615439.db2.gz OAJGQJITDMKPLC-UHFFFAOYSA-N -1 3 386.759 0.468 20 0 GCADHM CN(C)C(=O)Cn1cc(C(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)nn1 ZINC000825846386 609618621 /nfs/dbraw/zinc/61/86/21/609618621.db2.gz ZJGGHCGACXNKEB-UHFFFAOYSA-N -1 3 390.791 0.557 20 0 GCADHM CN(C)C(=O)Cn1cc(C(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)nn1 ZINC000825846386 609618622 /nfs/dbraw/zinc/61/86/22/609618622.db2.gz ZJGGHCGACXNKEB-UHFFFAOYSA-N -1 3 390.791 0.557 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCCOC1 ZINC000824487372 609619530 /nfs/dbraw/zinc/61/95/30/609619530.db2.gz BAGQLCINKISBED-HIFRSBDPSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCCOC1 ZINC000824487372 609619532 /nfs/dbraw/zinc/61/95/32/609619532.db2.gz BAGQLCINKISBED-HIFRSBDPSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824470493 609620786 /nfs/dbraw/zinc/62/07/86/609620786.db2.gz IVRNBSQAJWBWTA-SECBINFHSA-N -1 3 380.368 0.177 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cccc(C(N)=O)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824470493 609620787 /nfs/dbraw/zinc/62/07/87/609620787.db2.gz IVRNBSQAJWBWTA-SECBINFHSA-N -1 3 380.368 0.177 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCN2C(=S)N=NC2C)cccc1-c1nnn[n-]1 ZINC000826240992 609621721 /nfs/dbraw/zinc/62/17/21/609621721.db2.gz NZBBTJFJDSZVBE-UHFFFAOYSA-N -1 3 387.429 0.119 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCN2C(=S)N=NC2C)cccc1-c1nn[n-]n1 ZINC000826240992 609621722 /nfs/dbraw/zinc/62/17/22/609621722.db2.gz NZBBTJFJDSZVBE-UHFFFAOYSA-N -1 3 387.429 0.119 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCO2)no1 ZINC000826325278 609622975 /nfs/dbraw/zinc/62/29/75/609622975.db2.gz SPAOHENLKINNJJ-CYBMUJFWSA-N -1 3 398.383 0.405 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCO2)no1 ZINC000826325278 609622976 /nfs/dbraw/zinc/62/29/76/609622976.db2.gz SPAOHENLKINNJJ-CYBMUJFWSA-N -1 3 398.383 0.405 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C(=O)OC)C1 ZINC000826133954 609624196 /nfs/dbraw/zinc/62/41/96/609624196.db2.gz QULLKGZTNNNZGD-KGLIPLIRSA-N -1 3 387.396 0.362 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)OC)C1 ZINC000826133954 609624198 /nfs/dbraw/zinc/62/41/98/609624198.db2.gz QULLKGZTNNNZGD-KGLIPLIRSA-N -1 3 387.396 0.362 20 0 GCADHM 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COC(=O)[C@@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H](C(=O)OC)C1 ZINC000826132606 609624500 /nfs/dbraw/zinc/62/45/00/609624500.db2.gz FCMATGWMNSQZLR-ZIAGYGMSSA-N -1 3 387.396 0.362 20 0 GCADHM Cc1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261242 609625763 /nfs/dbraw/zinc/62/57/63/609625763.db2.gz XIWPVIFOBNKOKN-VIFPVBQESA-N -1 3 384.356 0.101 20 0 GCADHM Cc1cc(C(=O)O[C@@H](C)C(=O)NC(N)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261242 609625765 /nfs/dbraw/zinc/62/57/65/609625765.db2.gz XIWPVIFOBNKOKN-VIFPVBQESA-N -1 3 384.356 0.101 20 0 GCADHM Cc1cc(C(=O)OCC(=O)N2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260713 609627104 /nfs/dbraw/zinc/62/71/04/609627104.db2.gz BXCXYTBTXJVKFF-UHFFFAOYSA-N -1 3 397.395 0.376 20 0 GCADHM Cc1cc(C(=O)OCC(=O)N2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260713 609627105 /nfs/dbraw/zinc/62/71/05/609627105.db2.gz BXCXYTBTXJVKFF-UHFFFAOYSA-N -1 3 397.395 0.376 20 0 GCADHM Cc1cc(C(=O)OCCCS(N)(=O)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261760 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CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)CN3CCCCC3=O)C2)cc(=O)[n-]1 ZINC000276271086 1185716540 /nfs/dbraw/zinc/71/65/40/1185716540.db2.gz GOWSYJXTFVIKGX-OAHLLOKOSA-N -1 3 390.488 0.293 20 0 GCADHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)N2CCOCC2)c1)[C@H]1CCOC1 ZINC000656618870 1185736186 /nfs/dbraw/zinc/73/61/86/1185736186.db2.gz KXBPTLXZVRERAS-RDJZCZTQSA-N -1 3 398.481 0.952 20 0 GCADHM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)CCn1nc(C)oc1=O ZINC001211515437 1185738289 /nfs/dbraw/zinc/73/82/89/1185738289.db2.gz KKNANZIBRUOYQN-ZDUSSCGKSA-N -1 3 375.447 0.576 20 0 GCADHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(-n2c(=O)[nH][nH]c2=O)cc1)[C@@H]1CCOC1 ZINC000656629831 1185746642 /nfs/dbraw/zinc/74/66/42/1185746642.db2.gz PYANFYCFFKBIHO-MFKMUULPSA-N -1 3 384.414 0.472 20 0 GCADHM CC[C@H](C)N[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccco1 ZINC000510432234 1185756929 /nfs/dbraw/zinc/75/69/29/1185756929.db2.gz VQHORYYDTJXORV-NWDGAFQWSA-N -1 3 384.458 0.085 20 0 GCADHM O=C(c1nc(Br)n[n-]1)N1CC2(C1)SCC[C@H]2C(=O)N1CC=CC1 ZINC001279507048 1185786342 /nfs/dbraw/zinc/78/63/42/1185786342.db2.gz SXGDOCZMHYKZLA-VIFPVBQESA-N -1 3 398.286 0.913 20 0 GCADHM CO[N-]C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000025822123 1185788358 /nfs/dbraw/zinc/78/83/58/1185788358.db2.gz HHGOQAAELHGODI-UHFFFAOYSA-N -1 3 382.442 0.204 20 0 GCADHM CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)NCC3CCOCC3)C2)cc(=O)[n-]1 ZINC000276463087 1185830054 /nfs/dbraw/zinc/83/00/54/1185830054.db2.gz NDWHKLQAJUAQRI-INIZCTEOSA-N -1 3 392.504 0.891 20 0 GCADHM CC(C)c1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c([O-])c1 ZINC000276530373 1185869479 /nfs/dbraw/zinc/86/94/79/1185869479.db2.gz UNGMELNIARNAPO-DOTOQJQBSA-N -1 3 382.482 0.431 20 0 GCADHM CC(C)c1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c([O-])c1 ZINC000276530382 1185870456 /nfs/dbraw/zinc/87/04/56/1185870456.db2.gz UNGMELNIARNAPO-WBVHZDCISA-N -1 3 382.482 0.431 20 0 GCADHM COC(=O)[C@H](CO)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000008145269 1185894903 /nfs/dbraw/zinc/89/49/03/1185894903.db2.gz OWIFVIVJPOZQIO-HNNXBMFYSA-N -1 3 396.396 0.890 20 0 GCADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3C[C@@H](O)[C@H](CO)C3)cs2)c1 ZINC000458028924 1185922365 /nfs/dbraw/zinc/92/23/65/1185922365.db2.gz GEPBUCIGGXTUQD-XHDPSFHLSA-N -1 3 391.449 0.764 20 0 GCADHM C[N-]S(=O)(=O)c1cc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)c(C)o1 ZINC000510734766 1186095785 /nfs/dbraw/zinc/09/57/85/1186095785.db2.gz NYYSLVVDVMOAKJ-UHFFFAOYSA-N -1 3 398.422 0.861 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]21 ZINC001022452193 1186175730 /nfs/dbraw/zinc/17/57/30/1186175730.db2.gz KZQCKIKRDVHUHN-NBFUAULTSA-N -1 3 386.452 0.979 20 0 GCADHM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000276992555 1186221065 /nfs/dbraw/zinc/22/10/65/1186221065.db2.gz CJJWCEMGRAPVCA-FQEVSTJZSA-N -1 3 392.419 0.890 20 0 GCADHM C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000276992555 1186221070 /nfs/dbraw/zinc/22/10/70/1186221070.db2.gz CJJWCEMGRAPVCA-FQEVSTJZSA-N -1 3 392.419 0.890 20 0 GCADHM C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000277130460 1186247345 /nfs/dbraw/zinc/24/73/45/1186247345.db2.gz OMWGPMAURXOZDQ-OAQYLSRUSA-N -1 3 397.431 0.645 20 0 GCADHM O=C(NCc1ncccc1[O-])NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000472077188 1186333762 /nfs/dbraw/zinc/33/37/62/1186333762.db2.gz XRRXKVLCTHEZTQ-ZDUSSCGKSA-N -1 3 382.428 0.941 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000536442332 1186348841 /nfs/dbraw/zinc/34/88/41/1186348841.db2.gz NRRWYBXCWBDRPO-UHFFFAOYSA-N -1 3 377.422 0.128 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)c3c[n-]c4cc(F)c(F)cc4c3=O)CCN2C1=O ZINC000934288655 1186411284 /nfs/dbraw/zinc/41/12/84/1186411284.db2.gz BPVQPJNAFLSNBP-AWEZNQCLSA-N -1 3 390.346 0.915 20 0 GCADHM O=C(CNC(=O)COc1cccc(F)c1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000109217100 1186475812 /nfs/dbraw/zinc/47/58/12/1186475812.db2.gz KJEODZDCFCTQOY-UHFFFAOYSA-N -1 3 386.339 0.489 20 0 GCADHM CCOC(=O)c1cc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)[n-]n1 ZINC000611593417 1186507421 /nfs/dbraw/zinc/50/74/21/1186507421.db2.gz CYDILGPFDDJGAU-UHFFFAOYSA-N -1 3 380.426 0.930 20 0 GCADHM CCOC(=O)c1cc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)n[n-]1 ZINC000611593417 1186507422 /nfs/dbraw/zinc/50/74/22/1186507422.db2.gz CYDILGPFDDJGAU-UHFFFAOYSA-N -1 3 380.426 0.930 20 0 GCADHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C)[C@@H]2C1 ZINC001022739920 1186534822 /nfs/dbraw/zinc/53/48/22/1186534822.db2.gz DMKFFYKZWFNUSB-YUFPNPJJSA-N -1 3 388.468 0.908 20 0 GCADHM O=c1nc2[nH]cc(S(=O)(=O)NCC3CCN(C4CC4)CC3)cc-2c(=O)[n-]1 ZINC000277614033 1186537693 /nfs/dbraw/zinc/53/76/93/1186537693.db2.gz BCDCRVOURAVTSW-UHFFFAOYSA-N -1 3 379.442 0.589 20 0 GCADHM CC(C)N1CCN(c2ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc2)CC1 ZINC000277689209 1186564755 /nfs/dbraw/zinc/56/47/55/1186564755.db2.gz QTQDUTKZRHSDPV-UHFFFAOYSA-N -1 3 396.513 0.413 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)NCCS(=O)(=O)CC)CC2)[n-]1 ZINC000277695057 1186566098 /nfs/dbraw/zinc/56/60/98/1186566098.db2.gz KHPDYAXNPNOPDH-UHFFFAOYSA-N -1 3 387.462 0.305 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)NCCS(=O)(=O)CC)CC2)n[n-]1 ZINC000277695057 1186566099 /nfs/dbraw/zinc/56/60/99/1186566099.db2.gz KHPDYAXNPNOPDH-UHFFFAOYSA-N -1 3 387.462 0.305 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccccc3-n3cnnn3)CC2)[n-]1 ZINC000277718547 1186577018 /nfs/dbraw/zinc/57/70/18/1186577018.db2.gz NGQNQVVVTZKRCQ-UHFFFAOYSA-N -1 3 396.411 0.977 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccccc3-n3cnnn3)CC2)n[n-]1 ZINC000277718547 1186577022 /nfs/dbraw/zinc/57/70/22/1186577022.db2.gz NGQNQVVVTZKRCQ-UHFFFAOYSA-N -1 3 396.411 0.977 20 0 GCADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)N[C@@H]3COC[C@H]3OC)c2)n1 ZINC000582605013 1186581104 /nfs/dbraw/zinc/58/11/04/1186581104.db2.gz SYICISAAJUYLHY-HUUCEWRRSA-N -1 3 386.408 0.880 20 0 GCADHM Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c([O-])c1 ZINC000116652874 1186610621 /nfs/dbraw/zinc/61/06/21/1186610621.db2.gz YZOKUONGOHYBHX-ZDUSSCGKSA-N -1 3 383.470 0.361 20 0 GCADHM O=C(Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000278070234 1186767531 /nfs/dbraw/zinc/76/75/31/1186767531.db2.gz LBXSWWAWSQPGHP-UHFFFAOYSA-N -1 3 391.391 0.995 20 0 GCADHM CN(C)c1noc(C[N-]S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC001211567490 1186775763 /nfs/dbraw/zinc/77/57/63/1186775763.db2.gz VHQPTVWAVPJOCR-UHFFFAOYSA-N -1 3 390.466 0.023 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)N[C@@H]3CCN(C(=O)CC)C3)CC2)[n-]1 ZINC000278102014 1186782404 /nfs/dbraw/zinc/78/24/04/1186782404.db2.gz QZFHCANPVFNGGR-CYBMUJFWSA-N -1 3 392.460 0.881 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H]3CCN(C(=O)CC)C3)CC2)n[n-]1 ZINC000278102014 1186782407 /nfs/dbraw/zinc/78/24/07/1186782407.db2.gz QZFHCANPVFNGGR-CYBMUJFWSA-N -1 3 392.460 0.881 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@]34CCC(=O)N3CCS4)CC2)n[n-]1 ZINC000583182706 1186789962 /nfs/dbraw/zinc/78/99/62/1186789962.db2.gz NWFGRUKXWGALBA-QGZVFWFLSA-N -1 3 393.469 0.753 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@]34CCC(=O)N3CCS4)CC2)[n-]1 ZINC000583182706 1186789964 /nfs/dbraw/zinc/78/99/64/1186789964.db2.gz NWFGRUKXWGALBA-QGZVFWFLSA-N -1 3 393.469 0.753 20 0 GCADHM O=C(CNC[C@@H]1CCCO1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000583319007 1186824137 /nfs/dbraw/zinc/82/41/37/1186824137.db2.gz UADFSFHWXROAMM-ZDUSSCGKSA-N -1 3 383.470 0.884 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)Nc3ccc(F)nc3)CC2)[n-]1 ZINC000278257492 1186856091 /nfs/dbraw/zinc/85/60/91/1186856091.db2.gz HXEGIMWWVWBSJG-UHFFFAOYSA-N -1 3 390.375 0.860 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)C(=O)Nc3ccc(F)nc3)CC2)n[n-]1 ZINC000278257492 1186856098 /nfs/dbraw/zinc/85/60/98/1186856098.db2.gz HXEGIMWWVWBSJG-UHFFFAOYSA-N -1 3 390.375 0.860 20 0 GCADHM Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000583474989 1186864340 /nfs/dbraw/zinc/86/43/40/1186864340.db2.gz BWTIPWGPLRXFSO-INIZCTEOSA-N -1 3 383.387 0.985 20 0 GCADHM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000049051957 1186873034 /nfs/dbraw/zinc/87/30/34/1186873034.db2.gz QBGYKMXEEFCFQX-NSHDSACASA-N -1 3 385.424 0.579 20 0 GCADHM CCO[C@@H]1C[C@@H](NC(=O)c2cncc([N-]S(C)(=O)=O)c2)[C@@H]1n1cccn1 ZINC000583715491 1186925458 /nfs/dbraw/zinc/92/54/58/1186925458.db2.gz LJEKCACBXDCSEN-KFWWJZLASA-N -1 3 379.442 0.798 20 0 GCADHM NC(=O)CCNC(=O)c1cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000583725537 1186926943 /nfs/dbraw/zinc/92/69/43/1186926943.db2.gz SKHSRQUQRVBAHI-UHFFFAOYSA-N -1 3 397.375 0.612 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NCCc2cn[nH]c2)cc1OC ZINC000584024597 1186984419 /nfs/dbraw/zinc/98/44/19/1186984419.db2.gz PNDIOBWFTXELHG-UHFFFAOYSA-N -1 3 395.441 0.477 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@](C)(O)CN1c2ccccc2C(C)(C)C1=O ZINC000584090101 1186997677 /nfs/dbraw/zinc/99/76/77/1186997677.db2.gz JFQOPJUXNBPRTI-RNODOKPDSA-N -1 3 386.452 0.690 20 0 GCADHM COC(=O)c1[n-]cnc1NC(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000584239489 1187021568 /nfs/dbraw/zinc/02/15/68/1187021568.db2.gz BUTORJFDLNCPQN-UHFFFAOYSA-N -1 3 396.371 0.013 20 0 GCADHM COC(=O)c1nc[n-]c1NC(=O)Cc1c(C)nn(-c2cncc3nnnn32)c1C ZINC000584239489 1187021571 /nfs/dbraw/zinc/02/15/71/1187021571.db2.gz BUTORJFDLNCPQN-UHFFFAOYSA-N -1 3 396.371 0.013 20 0 GCADHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000139047448 1187078089 /nfs/dbraw/zinc/07/80/89/1187078089.db2.gz XLCRJRRWUMSEGC-NSHDSACASA-N -1 3 393.469 0.293 20 0 GCADHM O=c1nc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)[n-]c2scc(-c3ccco3)c21 ZINC000137931962 1187081731 /nfs/dbraw/zinc/08/17/31/1187081731.db2.gz ORBLBGMRQHXGGT-JTQLQIEISA-N -1 3 399.432 0.387 20 0 GCADHM COCCCNC(=O)CN(C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000198747455 1187088117 /nfs/dbraw/zinc/08/81/17/1187088117.db2.gz KAKDRJAIFAIKIO-UHFFFAOYSA-N -1 3 396.469 0.664 20 0 GCADHM Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000685521232 1187143577 /nfs/dbraw/zinc/14/35/77/1187143577.db2.gz SQJZYPMWJVNEMI-UHFFFAOYSA-N -1 3 384.440 0.719 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@H]1O)c1cccc2n[n-]nc21 ZINC001023863626 1187160344 /nfs/dbraw/zinc/16/03/44/1187160344.db2.gz FRNUCKSRADYVII-MMTVNHQJSA-N -1 3 385.424 0.075 20 0 GCADHM Cc1cnc(CNCc2cc(=O)[n-]c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n2)cn1 ZINC001087258477 1187162449 /nfs/dbraw/zinc/16/24/49/1187162449.db2.gz MMYNDTVIDUBLFN-LCEIHVTHSA-N -1 3 396.451 0.610 20 0 GCADHM O=C(NCc1nc(CNCc2cscn2)cc(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001087258519 1187164223 /nfs/dbraw/zinc/16/42/23/1187164223.db2.gz OJOLFARGLPRUMB-RBUCKAEESA-N -1 3 387.465 0.968 20 0 GCADHM C[C@@H](NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1)c1nncn1C ZINC001087258657 1187169505 /nfs/dbraw/zinc/16/95/05/1187169505.db2.gz VCCYYAJZMVZEIU-IEBQYBHISA-N -1 3 399.455 0.201 20 0 GCADHM O=C(NCc1nc(CNCc2cncs2)cc(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001087258702 1187172436 /nfs/dbraw/zinc/17/24/36/1187172436.db2.gz XBHLQAAQJREPIF-RBUCKAEESA-N -1 3 387.465 0.968 20 0 GCADHM O=C(NCc1nc(CNCc2nccs2)cc(=O)[n-]1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001087258715 1187172513 /nfs/dbraw/zinc/17/25/13/1187172513.db2.gz XZQVWAXXAQLAOA-UOSRWGBYSA-N -1 3 387.465 0.968 20 0 GCADHM Cc1conc1CNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001087258703 1187172726 /nfs/dbraw/zinc/17/27/26/1187172726.db2.gz XBSVEBQZVNTLCA-JUBPFHROSA-N -1 3 385.424 0.808 20 0 GCADHM O=C(NCc1nc(CNCc2cnns2)cc(=O)[n-]1)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001087259903 1187219320 /nfs/dbraw/zinc/21/93/20/1187219320.db2.gz MPHZZICQQSQCOA-RTXFEEFZSA-N -1 3 376.442 0.507 20 0 GCADHM COC[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001719812207 1187274423 /nfs/dbraw/zinc/27/44/23/1187274423.db2.gz ZTIGPMFFKNJHDG-UXVLEFJLSA-N -1 3 376.457 0.872 20 0 GCADHM Cc1ncc(CNC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c(=O)[n-]1 ZINC000548891861 1187361544 /nfs/dbraw/zinc/36/15/44/1187361544.db2.gz QTDOFOOTJINWAU-OAHLLOKOSA-N -1 3 385.424 0.970 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001024400687 1187380591 /nfs/dbraw/zinc/38/05/91/1187380591.db2.gz VJZOYPKRTOHWPY-REWJHTLYSA-N -1 3 388.449 0.657 20 0 GCADHM O=c1cc(-c2noc(-c3ccc(S(=O)(=O)N4CCOCC4)o3)n2)nc[n-]1 ZINC000647417624 1187400502 /nfs/dbraw/zinc/40/05/02/1187400502.db2.gz HIFIEHHIGQFVBH-UHFFFAOYSA-N -1 3 379.354 0.513 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C[C@H]1O)c1cn[n-]n1 ZINC001024549686 1187455965 /nfs/dbraw/zinc/45/59/65/1187455965.db2.gz LQYFQXITEJFWJF-HFOBELJZSA-N -1 3 377.351 0.188 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)C[C@H]1O)c1cn[n-]n1 ZINC001024551517 1187458304 /nfs/dbraw/zinc/45/83/04/1187458304.db2.gz ZTRITWOPODOINJ-CTHBEMJXSA-N -1 3 375.816 0.563 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)n1cnc2c1ncnc2N ZINC000612382975 1187476170 /nfs/dbraw/zinc/47/61/70/1187476170.db2.gz RMSZLXYSWPDNCX-LBPRGKRZSA-N -1 3 395.423 0.660 20 0 GCADHM O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000612385785 1187479013 /nfs/dbraw/zinc/47/90/13/1187479013.db2.gz KVDICZRCEQRIJP-CYBMUJFWSA-N -1 3 381.454 0.294 20 0 GCADHM Cc1nc(C)c(CCC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(=O)[n-]1 ZINC000612538127 1187518417 /nfs/dbraw/zinc/51/84/17/1187518417.db2.gz CVTCEHWGWGQSDF-UHFFFAOYSA-N -1 3 389.456 0.025 20 0 GCADHM CCS(=O)(=O)CCCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000413837711 1187537852 /nfs/dbraw/zinc/53/78/52/1187537852.db2.gz WJLJXVJGTVOTBE-UHFFFAOYSA-N -1 3 383.470 0.684 20 0 GCADHM CN(C)S(=O)(=O)N1CCO[C@H]2CN(Cc3sc(=O)[n-]c3Cl)C[C@@H]21 ZINC001279692109 1187590689 /nfs/dbraw/zinc/59/06/89/1187590689.db2.gz VDJNFKZBDXHHPP-IUCAKERBSA-N -1 3 382.895 0.194 20 0 GCADHM Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000668790910 1187624312 /nfs/dbraw/zinc/62/43/12/1187624312.db2.gz UMXMQFSUNXBAPD-UHFFFAOYSA-N -1 3 398.423 0.930 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H](c1ccnn1C)C(C)C ZINC000685831441 1187638928 /nfs/dbraw/zinc/63/89/28/1187638928.db2.gz IAHSKOGEYZSSGK-CYBMUJFWSA-N -1 3 383.474 0.859 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@H](c1ccnn1C)C(C)C ZINC000685831442 1187639116 /nfs/dbraw/zinc/63/91/16/1187639116.db2.gz IAHSKOGEYZSSGK-ZDUSSCGKSA-N -1 3 383.474 0.859 20 0 GCADHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CCN1CCN(C(=O)[C@@H]3CCCO3)CC1)C2 ZINC000636285398 1187694476 /nfs/dbraw/zinc/69/44/76/1187694476.db2.gz TVENSPQHUAYLPC-INIZCTEOSA-N -1 3 389.456 0.046 20 0 GCADHM CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)NC[C@]3(C)CCOC3)C2)cc(=O)[n-]1 ZINC000332718863 1187757153 /nfs/dbraw/zinc/75/71/53/1187757153.db2.gz JYUGLXNUWLXMJZ-KXBFYZLASA-N -1 3 392.504 0.891 20 0 GCADHM Cc1nc(C)c(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3C[C@H]3C3CC3)C2)c(=O)[n-]1 ZINC001025030944 1187762781 /nfs/dbraw/zinc/76/27/81/1187762781.db2.gz FSAMEAXTUQVNQE-QMCVQRASSA-N -1 3 388.468 0.466 20 0 GCADHM O=c1cc(CS(=O)(=O)c2nnc(NC[C@H]3CCCO3)s2)nc(C2CC2)[n-]1 ZINC000414211482 1187763427 /nfs/dbraw/zinc/76/34/27/1187763427.db2.gz OWMFUPUVQFGVSS-LLVKDONJSA-N -1 3 397.482 1.476 20 0 GCADHM O=C(CNC(=O)Cc1cc(F)ccc1F)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000175721289 1187813288 /nfs/dbraw/zinc/81/32/88/1187813288.db2.gz QDFXCOHXNVNAMR-UHFFFAOYSA-N -1 3 388.330 0.792 20 0 GCADHM Cn1c2ccc(S(=O)(=O)[N-]c3cc(C(N)=O)ccc3F)cc2n(C)c1=O ZINC000175773012 1187817424 /nfs/dbraw/zinc/81/74/24/1187817424.db2.gz MYDJTYAIEIDZCS-UHFFFAOYSA-N -1 3 378.385 0.916 20 0 GCADHM Cn1c(=O)c2cc([N-]S(=O)(=O)Cc3ccccc3F)cnc2n(C)c1=O ZINC000186604884 1187847021 /nfs/dbraw/zinc/84/70/21/1187847021.db2.gz YKAQWGPACRATLE-UHFFFAOYSA-N -1 3 378.385 0.713 20 0 GCADHM C[C@@H]1C[C@H](C)CN(C(C)(C)CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424389433 1187933742 /nfs/dbraw/zinc/93/37/42/1187933742.db2.gz CIRLEABYYYMXIK-MJBXVCDLSA-N -1 3 389.518 0.636 20 0 GCADHM C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)C1 ZINC000424389431 1187933843 /nfs/dbraw/zinc/93/38/43/1187933843.db2.gz CIRLEABYYYMXIK-MCIONIFRSA-N -1 3 389.518 0.636 20 0 GCADHM Cc1nc(C)c(CC(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c(=O)[n-]1 ZINC000031263409 1187936160 /nfs/dbraw/zinc/93/61/60/1187936160.db2.gz YHPPZLHWSMNNTN-UHFFFAOYSA-N -1 3 375.429 0.300 20 0 GCADHM C[C@@H]1CC[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3nnc4ccccc4c3[O-])C2)O1 ZINC001025749186 1188037839 /nfs/dbraw/zinc/03/78/39/1188037839.db2.gz LIAQNIPWIDHEIP-JUDXGUMMSA-N -1 3 386.408 0.204 20 0 GCADHM COCCNC(=O)C1CCN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)CC1 ZINC000892980672 1188085891 /nfs/dbraw/zinc/08/58/91/1188085891.db2.gz ROFRIZYQYKAFRH-UHFFFAOYSA-N -1 3 377.441 0.426 20 0 GCADHM CCOC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000487337360 1188091212 /nfs/dbraw/zinc/09/12/12/1188091212.db2.gz LLVTYIPNCFHOHO-IUCAKERBSA-N -1 3 390.414 0.109 20 0 GCADHM COc1ccc(NC(=O)C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1[N-]S(C)(=O)=O ZINC000415556770 1188106026 /nfs/dbraw/zinc/10/60/26/1188106026.db2.gz IPKNVDSOUVSGRM-MNOVXSKESA-N -1 3 384.458 0.214 20 0 GCADHM Cc1cc(N2CCC[C@@H](N3CCN(c4cc(=O)[n-]c(C)n4)CC3)C2=O)n(C)n1 ZINC000893112884 1189366938 /nfs/dbraw/zinc/36/69/38/1189366938.db2.gz IVOJALBIEFUIPZ-OAHLLOKOSA-N -1 3 385.472 0.850 20 0 GCADHM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000416322739 1189489906 /nfs/dbraw/zinc/48/99/06/1189489906.db2.gz NMHCCJFKGLMSGD-CYBMUJFWSA-N -1 3 393.346 0.700 20 0 GCADHM CC(C)[C@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F)N1CCOCC1 ZINC000416370067 1189500313 /nfs/dbraw/zinc/50/03/13/1189500313.db2.gz GRAUFZFGWCGVIL-ZDUSSCGKSA-N -1 3 387.433 0.895 20 0 GCADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](O)Cn1ccnn1 ZINC000416559802 1189549827 /nfs/dbraw/zinc/54/98/27/1189549827.db2.gz KIVOQAVNZUGTPY-SNVBAGLBSA-N -1 3 396.450 0.619 20 0 GCADHM COCCn1cc([C@@H]2OCC[C@H]2NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cn1 ZINC000616756842 1189726801 /nfs/dbraw/zinc/72/68/01/1189726801.db2.gz PXJHTLLLABJSNH-CVEARBPZSA-N -1 3 384.392 0.673 20 0 GCADHM CN1CCN(CCCNC(=O)N2CCOC[C@H]2C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000780391843 1189733836 /nfs/dbraw/zinc/73/38/36/1189733836.db2.gz DUUVUTCRWNKLMU-MSOLQXFVSA-N -1 3 390.484 0.860 20 0 GCADHM O=C(Cn1nc2n(c1=O)CCCC2)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000651497937 1189753504 /nfs/dbraw/zinc/75/35/04/1189753504.db2.gz FNTVVIRVTKPFHF-UHFFFAOYSA-N -1 3 385.424 0.071 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)O1 ZINC000759851221 1189784271 /nfs/dbraw/zinc/78/42/71/1189784271.db2.gz UAYHGUOIMGTDBR-WCQYABFASA-N -1 3 385.417 0.029 20 0 GCADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)ccc1F ZINC000759857836 1189787765 /nfs/dbraw/zinc/78/77/65/1189787765.db2.gz RYGVAUAGHMMRRP-WCQYABFASA-N -1 3 387.433 0.275 20 0 GCADHM CNC(=O)COc1cccc(C[N-]S(=O)(=O)c2cc(C(=O)OC)oc2C)c1 ZINC000549520297 1189901884 /nfs/dbraw/zinc/90/18/84/1189901884.db2.gz NNLUSPYCDTWNSU-UHFFFAOYSA-N -1 3 396.421 0.978 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]21 ZINC000974857193 1189903037 /nfs/dbraw/zinc/90/30/37/1189903037.db2.gz NYVPVDWAAJDRCL-RUCLQGLUSA-N -1 3 386.452 0.979 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@H]21 ZINC000974856285 1189903269 /nfs/dbraw/zinc/90/32/69/1189903269.db2.gz LOKIFRLPTIBSDB-ANQUJSFKSA-N -1 3 386.452 0.979 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)c(C)o1 ZINC000408120321 1189915794 /nfs/dbraw/zinc/91/57/94/1189915794.db2.gz FVOIOXYBSBYUCJ-UHFFFAOYSA-N -1 3 383.470 0.969 20 0 GCADHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000333311810 1189917074 /nfs/dbraw/zinc/91/70/74/1189917074.db2.gz OCOZIOBGCXUOEN-WDEREUQCSA-N -1 3 387.362 0.881 20 0 GCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000468859978 1189937643 /nfs/dbraw/zinc/93/76/43/1189937643.db2.gz GJWHESFUMYGUSQ-UHFFFAOYSA-N -1 3 395.778 0.861 20 0 GCADHM CS(=O)(=O)N1CCCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000408146409 1189943484 /nfs/dbraw/zinc/94/34/84/1189943484.db2.gz 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393.473 0.727 20 0 GCADHM CN(C)C(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001185578373 1205925649 /nfs/dbraw/zinc/92/56/49/1205925649.db2.gz GNIUPSIEEVQMCJ-CQSZACIVSA-N -1 3 390.469 0.746 20 0 GCADHM CN(C)C(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185578373 1205925651 /nfs/dbraw/zinc/92/56/51/1205925651.db2.gz GNIUPSIEEVQMCJ-CQSZACIVSA-N -1 3 390.469 0.746 20 0 GCADHM CS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001185614499 1205925820 /nfs/dbraw/zinc/92/58/20/1205925820.db2.gz UQZKJQGPBHXSAG-UHFFFAOYSA-N -1 3 393.450 0.749 20 0 GCADHM CS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001185614499 1205925821 /nfs/dbraw/zinc/92/58/21/1205925821.db2.gz UQZKJQGPBHXSAG-UHFFFAOYSA-N -1 3 393.450 0.749 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)C1CCC1 ZINC001185583085 1205925916 /nfs/dbraw/zinc/92/59/16/1205925916.db2.gz JVOJELMYHWQKSJ-UHFFFAOYSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1)C1CCC1 ZINC001185583085 1205925917 /nfs/dbraw/zinc/92/59/17/1205925917.db2.gz JVOJELMYHWQKSJ-UHFFFAOYSA-N -1 3 390.469 0.936 20 0 GCADHM CN(C)C(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185628299 1205925935 /nfs/dbraw/zinc/92/59/35/1205925935.db2.gz KWVOJMKNZSLHPM-LBPRGKRZSA-N -1 3 379.446 0.291 20 0 GCADHM CN(C)C(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185628299 1205925937 /nfs/dbraw/zinc/92/59/37/1205925937.db2.gz KWVOJMKNZSLHPM-LBPRGKRZSA-N -1 3 379.446 0.291 20 0 GCADHM NC(=O)c1ccc(OCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001185628531 1205926074 /nfs/dbraw/zinc/92/60/74/1205926074.db2.gz RQZWFQSGUHSQJW-UHFFFAOYSA-N -1 3 388.409 0.323 20 0 GCADHM NC(=O)c1ccc(OCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001185628531 1205926075 /nfs/dbraw/zinc/92/60/75/1205926075.db2.gz RQZWFQSGUHSQJW-UHFFFAOYSA-N -1 3 388.409 0.323 20 0 GCADHM O=S(=O)(N[C@@H](CO)[C@@H](O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185621500 1205926791 /nfs/dbraw/zinc/92/67/91/1205926791.db2.gz YXKKGVDOIVVOJM-GJZGRUSLSA-N -1 3 375.410 0.240 20 0 GCADHM O=S(=O)(N[C@@H](CO)[C@@H](O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185621500 1205926792 /nfs/dbraw/zinc/92/67/92/1205926792.db2.gz YXKKGVDOIVVOJM-GJZGRUSLSA-N -1 3 375.410 0.240 20 0 GCADHM O=C1CCC2(CCC(NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)N1 ZINC001185620650 1205926839 /nfs/dbraw/zinc/92/68/39/1205926839.db2.gz LMVYIYUOUBEVSE-UHFFFAOYSA-N -1 3 376.442 0.736 20 0 GCADHM O=C1CCC2(CCC(NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)N1 ZINC001185620650 1205926840 /nfs/dbraw/zinc/92/68/40/1205926840.db2.gz LMVYIYUOUBEVSE-UHFFFAOYSA-N -1 3 376.442 0.736 20 0 GCADHM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC001185623601 1205927115 /nfs/dbraw/zinc/92/71/15/1205927115.db2.gz LXCSDRDZZLHGJP-SKDRFNHKSA-N -1 3 383.430 0.236 20 0 GCADHM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC001185623601 1205927116 /nfs/dbraw/zinc/92/71/16/1205927116.db2.gz LXCSDRDZZLHGJP-SKDRFNHKSA-N -1 3 383.430 0.236 20 0 GCADHM COc1cccc(C[C@@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001185624403 1205927303 /nfs/dbraw/zinc/92/73/03/1205927303.db2.gz VALBEZQVOGPOGD-AWEZNQCLSA-N -1 3 389.437 0.757 20 0 GCADHM COc1cccc(C[C@@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001185624403 1205927304 /nfs/dbraw/zinc/92/73/04/1205927304.db2.gz VALBEZQVOGPOGD-AWEZNQCLSA-N -1 3 389.437 0.757 20 0 GCADHM CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NCCCc2c[n-][nH]c2=O)CC1 ZINC001185768476 1205928576 /nfs/dbraw/zinc/92/85/76/1205928576.db2.gz FYNGHZZJFUSQKT-GFCCVEGCSA-N -1 3 388.490 0.817 20 0 GCADHM COCCO[C@H]1C[C@H](CO)CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000774977777 1205935614 /nfs/dbraw/zinc/93/56/14/1205935614.db2.gz XCUDFGFWMOJBEQ-UWVGGRQHSA-N -1 3 381.355 0.379 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)c(C)o1 ZINC001151544367 1205937708 /nfs/dbraw/zinc/93/77/08/1205937708.db2.gz HOMUMAHXVJEIHW-SECBINFHSA-N -1 3 381.336 0.621 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](n2cncn2)C(F)(F)F)c(C)o1 ZINC001151544372 1205937784 /nfs/dbraw/zinc/93/77/84/1205937784.db2.gz HOMUMAHXVJEIHW-VIFPVBQESA-N -1 3 381.336 0.621 20 0 GCADHM CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCCc2c(C)[n-][nH]c2=O)C1 ZINC001186806494 1205947623 /nfs/dbraw/zinc/94/76/23/1205947623.db2.gz MAJWUXOGBJQWMD-UGSOOPFHSA-N -1 3 379.413 0.590 20 0 GCADHM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCc2c(C)[n-][nH]c2=O)C1 ZINC001186806492 1205947729 /nfs/dbraw/zinc/94/77/29/1205947729.db2.gz MAJWUXOGBJQWMD-FZKQIMNGSA-N -1 3 379.413 0.590 20 0 GCADHM O=C(CCCCNC(=O)c1cc2ccc([O-])cc2oc1=O)NCc1nnc[nH]1 ZINC001186768596 1205947933 /nfs/dbraw/zinc/94/79/33/1205947933.db2.gz AIWURFCWDOBWJA-UHFFFAOYSA-N -1 3 385.380 0.833 20 0 GCADHM COC(=O)[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccccc1 ZINC001186944847 1205951321 /nfs/dbraw/zinc/95/13/21/1205951321.db2.gz GDCOJJFTQBPUEU-DLBZAZTESA-N -1 3 390.417 0.735 20 0 GCADHM C[C@H](NC(=O)c1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001187016557 1205953657 /nfs/dbraw/zinc/95/36/57/1205953657.db2.gz URPPSQMKCMGZEX-QWRGUYRKSA-N -1 3 388.428 0.831 20 0 GCADHM C[C@H](NC(=O)c1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001187016557 1205953658 /nfs/dbraw/zinc/95/36/58/1205953658.db2.gz URPPSQMKCMGZEX-QWRGUYRKSA-N -1 3 388.428 0.831 20 0 GCADHM O=C(c1ccccc1-c1nn[n-]n1)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001186990558 1205954114 /nfs/dbraw/zinc/95/41/14/1205954114.db2.gz AKLHRBQXNYKAFT-UHFFFAOYSA-N -1 3 394.395 0.218 20 0 GCADHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)C(COC)COC ZINC001187248531 1205958253 /nfs/dbraw/zinc/95/82/53/1205958253.db2.gz LIIRLGZBIYEKOO-INIZCTEOSA-N -1 3 383.470 0.406 20 0 GCADHM CCOCCS(=O)(=O)[N-][C@@H](CO)[C@@H](O)c1ccc(Br)cc1 ZINC001187243687 1205958296 /nfs/dbraw/zinc/95/82/96/1205958296.db2.gz OCYPHJXQQKVPCP-STQMWFEESA-N -1 3 382.276 0.799 20 0 GCADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)C(C)(C)C ZINC001187718389 1205967606 /nfs/dbraw/zinc/96/76/06/1205967606.db2.gz VKHUFOUFXGQCSV-VXGBXAGGSA-N -1 3 384.520 0.165 20 0 GCADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001187737308 1205968005 /nfs/dbraw/zinc/96/80/05/1205968005.db2.gz XSXWBHNXXHYQEO-ZBEGNZNMSA-N -1 3 392.441 0.037 20 0 GCADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC001187737304 1205968092 /nfs/dbraw/zinc/96/80/92/1205968092.db2.gz XSXWBHNXXHYQEO-BZNIZROVSA-N -1 3 392.441 0.037 20 0 GCADHM O=c1[nH]c2cc(F)c(S(=O)(=O)[N-]C3CCN([C@H]4CCOC4=O)CC3)cc2o1 ZINC001188254815 1205978096 /nfs/dbraw/zinc/97/80/96/1205978096.db2.gz OKRRLJNPPIXBOM-LBPRGKRZSA-N -1 3 399.400 0.318 20 0 GCADHM NC(=O)c1nc(C[N-]S(=O)(=O)Cc2cccc(Br)c2)no1 ZINC001188697063 1205989364 /nfs/dbraw/zinc/98/93/64/1205989364.db2.gz XDPNNUHHDMEXTC-UHFFFAOYSA-N -1 3 375.204 0.551 20 0 GCADHM Cn1ncc(S(=O)(=O)[N-]C[C@@](C)(O)C(=O)OC(C)(C)C)c1Br ZINC001189090165 1205996114 /nfs/dbraw/zinc/99/61/14/1205996114.db2.gz YQUGPEABEDJBBI-GFCCVEGCSA-N -1 3 398.279 0.554 20 0 GCADHM COc1ccc(N(C(=O)c2cnn[n-]2)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001189349846 1206003651 /nfs/dbraw/zinc/00/36/51/1206003651.db2.gz YHSRPPLWXDXCCC-UHFFFAOYSA-N -1 3 375.370 0.221 20 0 GCADHM COc1ccc(N(C(=O)c2c[n-]nn2)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001189349846 1206003655 /nfs/dbraw/zinc/00/36/55/1206003655.db2.gz YHSRPPLWXDXCCC-UHFFFAOYSA-N -1 3 375.370 0.221 20 0 GCADHM COc1ccc(N(C(=O)c2cn[n-]n2)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001189349846 1206003660 /nfs/dbraw/zinc/00/36/60/1206003660.db2.gz YHSRPPLWXDXCCC-UHFFFAOYSA-N -1 3 375.370 0.221 20 0 GCADHM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1ccncc1OCC(F)(F)F ZINC001189662698 1206013926 /nfs/dbraw/zinc/01/39/26/1206013926.db2.gz DRUFFLPEWOPPGY-QHCPKHFHSA-N -1 3 390.409 0.932 20 0 GCADHM COC(=O)[C@@H](CC(N)=O)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001189772764 1206015987 /nfs/dbraw/zinc/01/59/87/1206015987.db2.gz CYHRIPRMKGGULO-MRVPVSSYSA-N -1 3 399.650 0.798 20 0 GCADHM CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1F)C(N)=O ZINC001189854825 1206020197 /nfs/dbraw/zinc/02/01/97/1206020197.db2.gz RWOAHSDNRZIVDZ-LBPRGKRZSA-N -1 3 378.397 0.970 20 0 GCADHM CCN1C[C@@H](S(=O)(=O)[N-]N2C(=O)N[C@@](CC)(c3ccccc3)C2=O)CC1=O ZINC001189936002 1206022894 /nfs/dbraw/zinc/02/28/94/1206022894.db2.gz BKMKBQZPFFAACR-GUYCJALGSA-N -1 3 394.453 0.299 20 0 GCADHM COc1nc(S(=O)(=O)[N-]CCS(=O)(=O)N2CCCCC2)ccc1F ZINC001190111878 1206027267 /nfs/dbraw/zinc/02/72/67/1206027267.db2.gz QKHSEHBHAVFVCB-UHFFFAOYSA-N -1 3 381.451 0.323 20 0 GCADHM COC(=O)[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc(F)c(OC)n1 ZINC001190118840 1206027599 /nfs/dbraw/zinc/02/75/99/1206027599.db2.gz VCKKLUBQQPJKRT-ZDUSSCGKSA-N -1 3 384.385 0.998 20 0 GCADHM C[C@H](c1ccccc1F)N1CCC[C@H]([N-]S(=O)(=O)[C@@H]2COC[C@H]2O)C1=O ZINC001190596157 1206039622 /nfs/dbraw/zinc/03/96/22/1206039622.db2.gz XEIGWAPFETXCRS-MSQAHXEGSA-N -1 3 386.445 0.557 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@H](C(N)=O)c1ccccn1 ZINC001190611537 1206040568 /nfs/dbraw/zinc/04/05/68/1206040568.db2.gz HSMSNBRDJAXHKX-QWHCGFSZSA-N -1 3 384.458 0.249 20 0 GCADHM O=c1cc(CN2CCCC2)nc2n1CCCN(S(=O)(=O)c1ncc[n-]1)C2 ZINC001190707213 1206043452 /nfs/dbraw/zinc/04/34/52/1206043452.db2.gz XVZBMHBRJWCSDP-UHFFFAOYSA-N -1 3 378.458 0.157 20 0 GCADHM Cn1nncc1C[N-]S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F ZINC001190919155 1206050892 /nfs/dbraw/zinc/05/08/92/1206050892.db2.gz AFYZWKOSHJDYDW-UHFFFAOYSA-N -1 3 392.210 0.294 20 0 GCADHM COC[C@](C)(CNS(=O)(=O)[C@@H]1CC[C@@H]1C(=O)[O-])N1CCN(C(C)C)CC1 ZINC001465114452 804142918 /nfs/dbraw/zinc/14/29/18/804142918.db2.gz FJNGAQNYUKPZOZ-UXLLHSPISA-N -1 3 391.534 0.200 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN(CC(F)(F)F)CC1 ZINC000738347003 945262347 /nfs/dbraw/zinc/26/23/47/945262347.db2.gz CBFWPMTVQLUXJM-UHFFFAOYSA-N -1 3 394.354 0.874 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN(CC(F)(F)F)CC1 ZINC000738347003 945262352 /nfs/dbraw/zinc/26/23/52/945262352.db2.gz CBFWPMTVQLUXJM-UHFFFAOYSA-N -1 3 394.354 0.874 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(c3ccc(Cl)c(-c4nnn[n-]4)n3)C[C@@H]2C)CC1 ZINC000819796412 945291538 /nfs/dbraw/zinc/29/15/38/945291538.db2.gz HKHUPYKJBCUHSC-SMDDNHRTSA-N -1 3 390.879 0.904 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(c3ccc(Cl)c(-c4nn[n-]n4)n3)C[C@@H]2C)CC1 ZINC000819796412 945291547 /nfs/dbraw/zinc/29/15/47/945291547.db2.gz HKHUPYKJBCUHSC-SMDDNHRTSA-N -1 3 390.879 0.904 20 0 GCADHM CC[C@@H]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)O1 ZINC001571257767 945342232 /nfs/dbraw/zinc/34/22/32/945342232.db2.gz JCQWEHXPLHOATJ-AMVBZWJASA-N -1 3 385.428 0.339 20 0 GCADHM CC[C@@H]1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)O1 ZINC001571257767 945342244 /nfs/dbraw/zinc/34/22/44/945342244.db2.gz JCQWEHXPLHOATJ-AMVBZWJASA-N -1 3 385.428 0.339 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001571257724 945342749 /nfs/dbraw/zinc/34/27/49/945342749.db2.gz HYPVTGJPXYJTFD-DJOIZQNCSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001571257724 945342758 /nfs/dbraw/zinc/34/27/58/945342758.db2.gz HYPVTGJPXYJTFD-DJOIZQNCSA-N -1 3 385.428 0.197 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H](N(C)c3ncc(-c4nnn[n-]4)cc3F)C2)cn1 ZINC001571257587 945342853 /nfs/dbraw/zinc/34/28/53/945342853.db2.gz GMDSUOIDMSSOTQ-CYBMUJFWSA-N -1 3 385.407 0.968 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H](N(C)c3ncc(-c4nn[n-]n4)cc3F)C2)cn1 ZINC001571257587 945342865 /nfs/dbraw/zinc/34/28/65/945342865.db2.gz GMDSUOIDMSSOTQ-CYBMUJFWSA-N -1 3 385.407 0.968 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571257585 945342884 /nfs/dbraw/zinc/34/28/84/945342884.db2.gz GKQYHBCRYUKJFN-SZWZKDINSA-N -1 3 385.428 0.197 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571257585 945342896 /nfs/dbraw/zinc/34/28/96/945342896.db2.gz GKQYHBCRYUKJFN-SZWZKDINSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001571257718 945343212 /nfs/dbraw/zinc/34/32/12/945343212.db2.gz HTZYDQKXFASJFJ-VOAKKNSGSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001571257718 945343222 /nfs/dbraw/zinc/34/32/22/945343222.db2.gz HTZYDQKXFASJFJ-VOAKKNSGSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571258028 945344902 /nfs/dbraw/zinc/34/49/02/945344902.db2.gz LEEJDKXGIOSRIY-PLNRXTSHSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571258028 945344913 /nfs/dbraw/zinc/34/49/13/945344913.db2.gz LEEJDKXGIOSRIY-PLNRXTSHSA-N -1 3 385.428 0.197 20 0 GCADHM CN(C[C@H]1CCN(C(=O)c2ccnn2C)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571257852 945346010 /nfs/dbraw/zinc/34/60/10/945346010.db2.gz KGDCLNNFSCZCHE-LLVKDONJSA-N -1 3 385.407 0.733 20 0 GCADHM CN(C[C@H]1CCN(C(=O)c2ccnn2C)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571257852 945346022 /nfs/dbraw/zinc/34/60/22/945346022.db2.gz KGDCLNNFSCZCHE-LLVKDONJSA-N -1 3 385.407 0.733 20 0 GCADHM CCn1ccc(CC(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571258103 945348217 /nfs/dbraw/zinc/34/82/17/945348217.db2.gz MWAVVIBGPSKYQH-ZDUSSCGKSA-N -1 3 385.407 0.555 20 0 GCADHM CCn1ccc(CC(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571258103 945348231 /nfs/dbraw/zinc/34/82/31/945348231.db2.gz MWAVVIBGPSKYQH-ZDUSSCGKSA-N -1 3 385.407 0.555 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=CCOCC2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571258276 945350199 /nfs/dbraw/zinc/35/01/99/945350199.db2.gz OLRODJIMOCIGDQ-BXUZGUMPSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2=CCOCC2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571258276 945350211 /nfs/dbraw/zinc/35/02/11/945350211.db2.gz OLRODJIMOCIGDQ-BXUZGUMPSA-N -1 3 385.428 0.651 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC001571258411 945353096 /nfs/dbraw/zinc/35/30/96/945353096.db2.gz QANYVDRRDVBAMW-LBPRGKRZSA-N -1 3 385.409 0.318 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC001571258411 945353107 /nfs/dbraw/zinc/35/31/07/945353107.db2.gz QANYVDRRDVBAMW-LBPRGKRZSA-N -1 3 385.409 0.318 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cncn2C)CCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571258447 945353637 /nfs/dbraw/zinc/35/36/37/945353637.db2.gz RIONIVDQJMWGEK-QWHCGFSZSA-N -1 3 385.407 0.922 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cncn2C)CCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571258447 945353649 /nfs/dbraw/zinc/35/36/49/945353649.db2.gz RIONIVDQJMWGEK-QWHCGFSZSA-N -1 3 385.407 0.922 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)c2ncn(C)n2)C1)c1cccc(F)c1-c1nnn[n-]1 ZINC001571258508 945356153 /nfs/dbraw/zinc/35/61/53/945356153.db2.gz UKHVNUSEEPMBOT-NSHDSACASA-N -1 3 385.407 0.733 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)c2ncn(C)n2)C1)c1cccc(F)c1-c1nn[n-]n1 ZINC001571258508 945356164 /nfs/dbraw/zinc/35/61/64/945356164.db2.gz UKHVNUSEEPMBOT-NSHDSACASA-N -1 3 385.407 0.733 20 0 GCADHM O=C(Cn1cncn1)N[C@@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571258609 945357945 /nfs/dbraw/zinc/35/79/45/945357945.db2.gz XGPDKLLXUYERSC-CYBMUJFWSA-N -1 3 385.407 0.378 20 0 GCADHM O=C(Cn1cncn1)N[C@@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571258609 945357959 /nfs/dbraw/zinc/35/79/59/945357959.db2.gz XGPDKLLXUYERSC-CYBMUJFWSA-N -1 3 385.407 0.378 20 0 GCADHM Cc1nc[nH]c1C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001571258585 945358951 /nfs/dbraw/zinc/35/89/51/945358951.db2.gz WPBSEQDPKYNDHP-BXKDBHETSA-N -1 3 385.407 0.935 20 0 GCADHM Cc1nc[nH]c1C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001571258585 945358962 /nfs/dbraw/zinc/35/89/62/945358962.db2.gz WPBSEQDPKYNDHP-BXKDBHETSA-N -1 3 385.407 0.935 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)C[C@]2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)O1 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YTYGSIXRMOOGTI-UHFFFAOYSA-N -1 3 385.428 0.952 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820146698 945362750 /nfs/dbraw/zinc/36/27/50/945362750.db2.gz RQMAEEHOAOWUEW-UHFFFAOYSA-N -1 3 386.409 0.289 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820146698 945362762 /nfs/dbraw/zinc/36/27/62/945362762.db2.gz RQMAEEHOAOWUEW-UHFFFAOYSA-N -1 3 386.409 0.289 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820145927 945363842 /nfs/dbraw/zinc/36/38/42/945363842.db2.gz GIBQXCXSABMAHO-GFCCVEGCSA-N -1 3 396.473 0.388 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820145927 945363854 /nfs/dbraw/zinc/36/38/54/945363854.db2.gz GIBQXCXSABMAHO-GFCCVEGCSA-N -1 3 396.473 0.388 20 0 GCADHM CCc1nc(CN2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C(C)(C)C2)no1 ZINC001571258715 945365214 /nfs/dbraw/zinc/36/52/14/945365214.db2.gz AAMAFBOBVISMCV-LBPRGKRZSA-N -1 3 385.432 0.781 20 0 GCADHM CCc1nc(CN2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C(C)(C)C2)no1 ZINC001571258715 945365226 /nfs/dbraw/zinc/36/52/26/945365226.db2.gz AAMAFBOBVISMCV-LBPRGKRZSA-N -1 3 385.432 0.781 20 0 GCADHM Cc1nn(C)c(C)c1[C@H](O)CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001571258859 945366361 /nfs/dbraw/zinc/36/63/61/945366361.db2.gz DFYJIXIJXCKZFO-SWLSCSKDSA-N -1 3 385.428 0.834 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN1CCCNC1=O ZINC001571258874 945369415 /nfs/dbraw/zinc/36/94/15/945369415.db2.gz DJJCTVCDOZWYQK-AAEUAGOBSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN1CCCNC1=O ZINC001571258874 945369428 /nfs/dbraw/zinc/36/94/28/945369428.db2.gz DJJCTVCDOZWYQK-AAEUAGOBSA-N -1 3 385.432 0.078 20 0 GCADHM CC(=O)N1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735466630 944663716 /nfs/dbraw/zinc/66/37/16/944663716.db2.gz VSERRDXQDIEPRI-QGZVFWFLSA-N -1 3 383.456 0.916 20 0 GCADHM CCN(C(=O)COc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CS(=O)(=O)CC ZINC000736505405 944838938 /nfs/dbraw/zinc/83/89/38/944838938.db2.gz MYSVAYQHZKCFPH-LBPRGKRZSA-N -1 3 381.458 0.917 20 0 GCADHM CCN(C(=O)COc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CS(=O)(=O)CC ZINC000736505405 944838942 /nfs/dbraw/zinc/83/89/42/944838942.db2.gz MYSVAYQHZKCFPH-LBPRGKRZSA-N -1 3 381.458 0.917 20 0 GCADHM CCOC(=O)CN(CC)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736595895 944850885 /nfs/dbraw/zinc/85/08/85/944850885.db2.gz ODRKOTLLWUYPNY-UHFFFAOYSA-N -1 3 384.400 0.660 20 0 GCADHM CCOC(=O)CN(CC)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736595895 944850890 /nfs/dbraw/zinc/85/08/90/944850890.db2.gz ODRKOTLLWUYPNY-UHFFFAOYSA-N -1 3 384.400 0.660 20 0 GCADHM CCc1cc(CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)on1 ZINC000736673919 944866130 /nfs/dbraw/zinc/86/61/30/944866130.db2.gz DIQAIIZOCJNESV-UHFFFAOYSA-N -1 3 383.416 0.844 20 0 GCADHM CCc1cc(CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)on1 ZINC000736673919 944866133 /nfs/dbraw/zinc/86/61/33/944866133.db2.gz DIQAIIZOCJNESV-UHFFFAOYSA-N -1 3 383.416 0.844 20 0 GCADHM COCCN(C(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987897 944929704 /nfs/dbraw/zinc/92/97/04/944929704.db2.gz GZWPADNKHQKFLX-GFCCVEGCSA-N -1 3 379.442 0.671 20 0 GCADHM COCCN(C(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987897 944929711 /nfs/dbraw/zinc/92/97/11/944929711.db2.gz GZWPADNKHQKFLX-GFCCVEGCSA-N -1 3 379.442 0.671 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000737033762 944937767 /nfs/dbraw/zinc/93/77/67/944937767.db2.gz SRPFNMIKJGXIKO-ZDUSSCGKSA-N -1 3 398.427 0.757 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H]1CCc2ncnn2C1 ZINC000737033762 944937772 /nfs/dbraw/zinc/93/77/72/944937772.db2.gz SRPFNMIKJGXIKO-ZDUSSCGKSA-N -1 3 398.427 0.757 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737168033 944973754 /nfs/dbraw/zinc/97/37/54/944973754.db2.gz XWGRMHKPAPWGMO-GFCCVEGCSA-N -1 3 396.498 0.499 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737168033 944973761 /nfs/dbraw/zinc/97/37/61/944973761.db2.gz XWGRMHKPAPWGMO-GFCCVEGCSA-N -1 3 396.498 0.499 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571258918 945370359 /nfs/dbraw/zinc/37/03/59/945370359.db2.gz ABTRCWGIGBNEBZ-OLZOCXBDSA-N -1 3 385.432 0.078 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571258918 945370369 /nfs/dbraw/zinc/37/03/69/945370369.db2.gz ABTRCWGIGBNEBZ-OLZOCXBDSA-N -1 3 385.432 0.078 20 0 GCADHM CC(C)c1nc(CNC[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571258893 945370447 /nfs/dbraw/zinc/37/04/47/945370447.db2.gz DSSYIQFPJMHPDW-UMSPYCQHSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571258893 945370459 /nfs/dbraw/zinc/37/04/59/945370459.db2.gz DSSYIQFPJMHPDW-UMSPYCQHSA-N -1 3 385.432 0.999 20 0 GCADHM O=C(N[C@H]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571258899 945371027 /nfs/dbraw/zinc/37/10/27/945371027.db2.gz DZTPFBKOPVENAB-HJPYRHJCSA-N -1 3 385.428 0.102 20 0 GCADHM O=C(N[C@H]1CC[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571258899 945371040 /nfs/dbraw/zinc/37/10/40/945371040.db2.gz DZTPFBKOPVENAB-HJPYRHJCSA-N -1 3 385.428 0.102 20 0 GCADHM O=C(CC1(O)CCC1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571258960 945372829 /nfs/dbraw/zinc/37/28/29/945372829.db2.gz FQTDQQQCIAVZBL-SMDDNHRTSA-N -1 3 385.428 0.173 20 0 GCADHM O=C(CC1(O)CCC1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571258960 945372841 /nfs/dbraw/zinc/37/28/41/945372841.db2.gz FQTDQQQCIAVZBL-SMDDNHRTSA-N -1 3 385.428 0.173 20 0 GCADHM O=C(N[C@@H]1CCC[C@H]1O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001571258991 945373229 /nfs/dbraw/zinc/37/32/29/945373229.db2.gz GGHZGICMHQLWKF-QLFBSQMISA-N -1 3 385.428 0.575 20 0 GCADHM O=C(N[C@@H]1CCC[C@H]1O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001571258991 945373241 /nfs/dbraw/zinc/37/32/41/945373241.db2.gz GGHZGICMHQLWKF-QLFBSQMISA-N -1 3 385.428 0.575 20 0 GCADHM CCc1nc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)no1 ZINC001571259109 945374286 /nfs/dbraw/zinc/37/42/86/945374286.db2.gz HSQCZLPYPHZHGU-CMPLNLGQSA-N -1 3 385.432 0.923 20 0 GCADHM CCc1nc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)no1 ZINC001571259109 945374293 /nfs/dbraw/zinc/37/42/93/945374293.db2.gz HSQCZLPYPHZHGU-CMPLNLGQSA-N -1 3 385.432 0.923 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571259080 945376375 /nfs/dbraw/zinc/37/63/75/945376375.db2.gz GZPOMUBRAQKHCH-KKUMJFAQSA-N -1 3 385.428 0.247 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571259080 945376382 /nfs/dbraw/zinc/37/63/82/945376382.db2.gz GZPOMUBRAQKHCH-KKUMJFAQSA-N -1 3 385.428 0.247 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@H]2CCN(C(=O)C3CCOCC3)C[C@H]21 ZINC001571259133 945378517 /nfs/dbraw/zinc/37/85/17/945378517.db2.gz ICUPKRINYTVPLA-IUODEOHRSA-N -1 3 385.428 0.294 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@H]2CCN(C(=O)C3CCOCC3)C[C@H]21 ZINC001571259133 945378528 /nfs/dbraw/zinc/37/85/28/945378528.db2.gz ICUPKRINYTVPLA-IUODEOHRSA-N -1 3 385.428 0.294 20 0 GCADHM CC(C)c1noc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571259233 945379875 /nfs/dbraw/zinc/37/98/75/945379875.db2.gz JVYYYYMLLZNVOO-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571259233 945379889 /nfs/dbraw/zinc/37/98/89/945379889.db2.gz JVYYYYMLLZNVOO-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571259235 945380251 /nfs/dbraw/zinc/38/02/51/945380251.db2.gz JVYYYYMLLZNVOO-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571259235 945380255 /nfs/dbraw/zinc/38/02/55/945380255.db2.gz JVYYYYMLLZNVOO-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820211698 945384825 /nfs/dbraw/zinc/38/48/25/945384825.db2.gz VOPFPAGZXIIIAJ-UHFFFAOYSA-N -1 3 397.447 0.157 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820211698 945384832 /nfs/dbraw/zinc/38/48/32/945384832.db2.gz VOPFPAGZXIIIAJ-UHFFFAOYSA-N -1 3 397.447 0.157 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@]23CCOC3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259395 945385399 /nfs/dbraw/zinc/38/53/99/945385399.db2.gz MLANCNBQTZIVPA-FLMCSSBNSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@]23CCOC3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259395 945385410 /nfs/dbraw/zinc/38/54/10/945385410.db2.gz MLANCNBQTZIVPA-FLMCSSBNSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(C[C@@H]1CCOC1)N1[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571259521 945390361 /nfs/dbraw/zinc/39/03/61/945390361.db2.gz NTRPWIXDMIUXSH-FPMFFAJLSA-N -1 3 385.428 0.437 20 0 GCADHM O=C(C[C@@H]1CCOC1)N1[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571259521 945390365 /nfs/dbraw/zinc/39/03/65/945390365.db2.gz NTRPWIXDMIUXSH-FPMFFAJLSA-N -1 3 385.428 0.437 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571259577 945390412 /nfs/dbraw/zinc/39/04/12/945390412.db2.gz OWHJDDODDBXXPY-CFVMTHIKSA-N -1 3 385.428 0.604 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571259577 945390419 /nfs/dbraw/zinc/39/04/19/945390419.db2.gz OWHJDDODDBXXPY-CFVMTHIKSA-N -1 3 385.428 0.604 20 0 GCADHM CC(C)Cc1noc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571259548 945391067 /nfs/dbraw/zinc/39/10/67/945391067.db2.gz OJTNUOAMWLXFDP-LLVKDONJSA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)Cc1noc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571259548 945391078 /nfs/dbraw/zinc/39/10/78/945391078.db2.gz OJTNUOAMWLXFDP-LLVKDONJSA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)Cc1noc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571259606 945393285 /nfs/dbraw/zinc/39/32/85/945393285.db2.gz PDGKTOLFRNFNPF-NSHDSACASA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)Cc1noc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571259606 945393297 /nfs/dbraw/zinc/39/32/97/945393297.db2.gz PDGKTOLFRNFNPF-NSHDSACASA-N -1 3 385.432 0.781 20 0 GCADHM CCc1noc(CN(C)[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571259619 945395209 /nfs/dbraw/zinc/39/52/09/945395209.db2.gz PGROYQLGEFXFNI-GFCCVEGCSA-N -1 3 385.432 0.877 20 0 GCADHM CCc1noc(CN(C)[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571259619 945395214 /nfs/dbraw/zinc/39/52/14/945395214.db2.gz PGROYQLGEFXFNI-GFCCVEGCSA-N -1 3 385.432 0.877 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCN(C(=O)N2CCCC2)CC1 ZINC001571259695 945395796 /nfs/dbraw/zinc/39/57/96/945395796.db2.gz KCPKVTTWRMRICV-UHFFFAOYSA-N -1 3 385.432 0.034 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCN(C(=O)N2CCCC2)CC1 ZINC001571259695 945395802 /nfs/dbraw/zinc/39/58/02/945395802.db2.gz KCPKVTTWRMRICV-UHFFFAOYSA-N -1 3 385.432 0.034 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CC12CCOCC2 ZINC001571259796 945399733 /nfs/dbraw/zinc/39/97/33/945399733.db2.gz RGHQRRRPBBVKLK-VXGBXAGGSA-N -1 3 385.428 0.342 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CC12CCOCC2 ZINC001571259796 945399743 /nfs/dbraw/zinc/39/97/43/945399743.db2.gz RGHQRRRPBBVKLK-VXGBXAGGSA-N -1 3 385.428 0.342 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)N1CCOCC1 ZINC000820262469 945400683 /nfs/dbraw/zinc/40/06/83/945400683.db2.gz WRBVIPGKBTWGCU-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)N1CCOCC1 ZINC000820262469 945400688 /nfs/dbraw/zinc/40/06/88/945400688.db2.gz WRBVIPGKBTWGCU-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM Cc1nonc1CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571259862 945401319 /nfs/dbraw/zinc/40/13/19/945401319.db2.gz LUDPWLFFZSXZNL-MFKMUULPSA-N -1 3 385.432 0.917 20 0 GCADHM Cc1nonc1CNC[C@@H]1C[C@H](C)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571259862 945401324 /nfs/dbraw/zinc/40/13/24/945401324.db2.gz LUDPWLFFZSXZNL-MFKMUULPSA-N -1 3 385.432 0.917 20 0 GCADHM O=C(C[C@H]1CCCOC1)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571259971 945403402 /nfs/dbraw/zinc/40/34/02/945403402.db2.gz UKUKBYSYFQPUCO-KBNOKHGBSA-N -1 3 385.428 0.198 20 0 GCADHM O=C(C[C@H]1CCCOC1)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571259971 945403408 /nfs/dbraw/zinc/40/34/08/945403408.db2.gz UKUKBYSYFQPUCO-KBNOKHGBSA-N -1 3 385.428 0.198 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)C1=COCCO1)c1ncccc1-c1nnn[n-]1 ZINC001571259972 945403893 /nfs/dbraw/zinc/40/38/93/945403893.db2.gz UKWXBGBIIFXFBP-ZDUSSCGKSA-N -1 3 385.428 0.967 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)C1=COCCO1)c1ncccc1-c1nn[n-]n1 ZINC001571259972 945403903 /nfs/dbraw/zinc/40/39/03/945403903.db2.gz UKWXBGBIIFXFBP-ZDUSSCGKSA-N -1 3 385.428 0.967 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@H]2CN(C(=O)C3CCOCC3)C[C@H]21 ZINC001571259929 945404315 /nfs/dbraw/zinc/40/43/15/945404315.db2.gz SCWBZJVEJXMDOM-SWLSCSKDSA-N -1 3 385.428 0.294 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@H]2CN(C(=O)C3CCOCC3)C[C@H]21 ZINC001571259929 945404325 /nfs/dbraw/zinc/40/43/25/945404325.db2.gz SCWBZJVEJXMDOM-SWLSCSKDSA-N -1 3 385.428 0.294 20 0 GCADHM CCc1noc([C@@H](C)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571260011 945405270 /nfs/dbraw/zinc/40/52/70/945405270.db2.gz VQGIJDKMSSIESE-NXEZZACHSA-N -1 3 385.432 0.952 20 0 GCADHM CCc1noc([C@@H](C)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571260011 945405279 /nfs/dbraw/zinc/40/52/79/945405279.db2.gz VQGIJDKMSSIESE-NXEZZACHSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571260208 945410211 /nfs/dbraw/zinc/41/02/11/945410211.db2.gz XTEVJIFMFFQGGV-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571260208 945410217 /nfs/dbraw/zinc/41/02/17/945410217.db2.gz XTEVJIFMFFQGGV-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)[C@@H]1CCOC1)CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571260236 945412048 /nfs/dbraw/zinc/41/20/48/945412048.db2.gz YNFZCWACSAVGCY-OMPKRAJASA-N -1 3 385.428 0.485 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)[C@@H]1CCOC1)CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571260236 945412052 /nfs/dbraw/zinc/41/20/52/945412052.db2.gz YNFZCWACSAVGCY-OMPKRAJASA-N -1 3 385.428 0.485 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@]23CCOC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571260247 945412111 /nfs/dbraw/zinc/41/21/11/945412111.db2.gz YWSLWPPHDDQNGX-AFVHBRRKSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@]23CCOC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571260247 945412121 /nfs/dbraw/zinc/41/21/21/945412121.db2.gz YWSLWPPHDDQNGX-AFVHBRRKSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)[C@H]1CCOC1)CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571260234 945412169 /nfs/dbraw/zinc/41/21/69/945412169.db2.gz YNFZCWACSAVGCY-FVMIAERFSA-N -1 3 385.428 0.485 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)[C@H]1CCOC1)CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571260234 945412176 /nfs/dbraw/zinc/41/21/76/945412176.db2.gz YNFZCWACSAVGCY-FVMIAERFSA-N -1 3 385.428 0.485 20 0 GCADHM Cc1nnc(CN2CCC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)o1 ZINC001571260401 945413773 /nfs/dbraw/zinc/41/37/73/945413773.db2.gz RSAPACPOGPPBAY-SNVBAGLBSA-N -1 3 385.432 0.917 20 0 GCADHM Cc1nnc(CN2CCC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)o1 ZINC001571260401 945413778 /nfs/dbraw/zinc/41/37/78/945413778.db2.gz RSAPACPOGPPBAY-SNVBAGLBSA-N -1 3 385.432 0.917 20 0 GCADHM Cc1nonc1CN1CCC([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571260606 945420086 /nfs/dbraw/zinc/42/00/86/945420086.db2.gz XIVUICPOPPCCCE-JTQLQIEISA-N -1 3 385.432 0.917 20 0 GCADHM Cc1nonc1CN1CCC([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571260606 945420091 /nfs/dbraw/zinc/42/00/91/945420091.db2.gz XIVUICPOPPCCCE-JTQLQIEISA-N -1 3 385.432 0.917 20 0 GCADHM C[C@@H](NC(=O)N1CCO[C@H](Cn2cncn2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350773 945423840 /nfs/dbraw/zinc/42/38/40/945423840.db2.gz LUJXAXYNHVCNKO-DOMZBBRYSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@@H](NC(=O)N1CCO[C@H](Cn2cncn2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350773 945423848 /nfs/dbraw/zinc/42/38/48/945423848.db2.gz LUJXAXYNHVCNKO-DOMZBBRYSA-N -1 3 383.416 0.630 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)Cc1ccsc1 ZINC001571261832 945431152 /nfs/dbraw/zinc/43/11/52/945431152.db2.gz JVVPCPOQUKAICB-HUUCEWRRSA-N -1 3 385.453 0.886 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)Cc1ccsc1 ZINC001571261832 945431155 /nfs/dbraw/zinc/43/11/55/945431155.db2.gz JVVPCPOQUKAICB-HUUCEWRRSA-N -1 3 385.453 0.886 20 0 GCADHM Cn1cc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)ccc1=O ZINC001571262739 945442408 /nfs/dbraw/zinc/44/24/08/945442408.db2.gz WTICAIQYNGBWRI-UHFFFAOYSA-N -1 3 385.453 0.585 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)cc1=O ZINC001571262805 945443619 /nfs/dbraw/zinc/44/36/19/945443619.db2.gz YMNFNXUOTYXSFB-GFCCVEGCSA-N -1 3 385.453 0.631 20 0 GCADHM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)n2cccn2)c1-c1nnn[n-]1 ZINC001571262916 945445149 /nfs/dbraw/zinc/44/51/49/945445149.db2.gz BZVFEIAMTSBELK-DCQANWLSSA-N -1 3 385.457 0.640 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820437662 945448499 /nfs/dbraw/zinc/44/84/99/945448499.db2.gz BAHOZRYZXYBXGO-FZMZJTMJSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820437662 945448506 /nfs/dbraw/zinc/44/85/06/945448506.db2.gz BAHOZRYZXYBXGO-FZMZJTMJSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H]1C1CC1 ZINC000820438123 945448690 /nfs/dbraw/zinc/44/86/90/945448690.db2.gz IYRILWIBSLSMCM-IAQYHMDHSA-N -1 3 390.469 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1C1CC1 ZINC000820438123 945448698 /nfs/dbraw/zinc/44/86/98/945448698.db2.gz IYRILWIBSLSMCM-IAQYHMDHSA-N -1 3 390.469 0.935 20 0 GCADHM CC1(C)C(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)C1(C)C ZINC001571263198 945451879 /nfs/dbraw/zinc/45/18/79/945451879.db2.gz JWNWTLVZZVZWFW-STQMWFEESA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)C1(C)C ZINC001571263198 945451883 /nfs/dbraw/zinc/45/18/83/945451883.db2.gz JWNWTLVZZVZWFW-STQMWFEESA-N -1 3 385.472 1.000 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820467568 945457820 /nfs/dbraw/zinc/45/78/20/945457820.db2.gz JSRAJDGANGUXSO-NHYWBVRUSA-N -1 3 389.412 0.454 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(Cc1nncs1)CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571263478 945459905 /nfs/dbraw/zinc/45/99/05/945459905.db2.gz RGBXCHLRPFUJDQ-LRDDRELGSA-N -1 3 385.457 0.973 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(Cc1nncs1)CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571263478 945459913 /nfs/dbraw/zinc/45/99/13/945459913.db2.gz RGBXCHLRPFUJDQ-LRDDRELGSA-N -1 3 385.457 0.973 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820469232 945460523 /nfs/dbraw/zinc/46/05/23/945460523.db2.gz YRJPLULMAYYDBJ-MEBBXXQBSA-N -1 3 384.396 0.438 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820469232 945460527 /nfs/dbraw/zinc/46/05/27/945460527.db2.gz YRJPLULMAYYDBJ-MEBBXXQBSA-N -1 3 384.396 0.438 20 0 GCADHM CNC(=O)CN1CCCN(C(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571263841 945469531 /nfs/dbraw/zinc/46/95/31/945469531.db2.gz CDXNXGKMRJCMJT-AWEZNQCLSA-N -1 3 385.472 0.326 20 0 GCADHM CNC(=O)CN1CCCN(C(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571263841 945469534 /nfs/dbraw/zinc/46/95/34/945469534.db2.gz CDXNXGKMRJCMJT-AWEZNQCLSA-N -1 3 385.472 0.326 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCCC[C@@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001571265148 945501497 /nfs/dbraw/zinc/50/14/97/945501497.db2.gz DYTIIGKQRKLDMG-KGLIPLIRSA-N -1 3 385.476 0.356 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCN1C)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571265177 945502347 /nfs/dbraw/zinc/50/23/47/945502347.db2.gz FZRHQUQXTHFRPS-TZMCWYRMSA-N -1 3 385.476 0.472 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001571265270 945503792 /nfs/dbraw/zinc/50/37/92/945503792.db2.gz FLTGBZJBOZIUFU-ZIAGYGMSSA-N -1 3 385.476 0.069 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CCOC[C@@H]2CCCO2)C1=O ZINC000820636519 945503755 /nfs/dbraw/zinc/50/37/55/945503755.db2.gz SXHQDUBMYZPOCK-KSSFIOAISA-N -1 3 386.412 0.829 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CCOC[C@@H]2CCCO2)C1=O ZINC000820636519 945503762 /nfs/dbraw/zinc/50/37/62/945503762.db2.gz SXHQDUBMYZPOCK-KSSFIOAISA-N -1 3 386.412 0.829 20 0 GCADHM CN1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571265678 945515688 /nfs/dbraw/zinc/51/56/88/945515688.db2.gz OMILCFCTMUQUSF-CHWSQXEVSA-N -1 3 385.476 0.472 20 0 GCADHM CN1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571265678 945515700 /nfs/dbraw/zinc/51/57/00/945515700.db2.gz OMILCFCTMUQUSF-CHWSQXEVSA-N -1 3 385.476 0.472 20 0 GCADHM O=C(CN1CCCC1)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266017 945528468 /nfs/dbraw/zinc/52/84/68/945528468.db2.gz TXTOHAVXEVTSDF-KBPBESRZSA-N -1 3 385.476 0.839 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001571266434 945542505 /nfs/dbraw/zinc/54/25/05/945542505.db2.gz QPUWNZLMRJDTQF-SCZZXKLOSA-N -1 3 385.475 0.768 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001571266434 945542511 /nfs/dbraw/zinc/54/25/11/945542511.db2.gz QPUWNZLMRJDTQF-SCZZXKLOSA-N -1 3 385.475 0.768 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820804030 945559163 /nfs/dbraw/zinc/55/91/63/945559163.db2.gz LMSRKISOYVKLTE-SCZZXKLOSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820804030 945559171 /nfs/dbraw/zinc/55/91/71/945559171.db2.gz LMSRKISOYVKLTE-SCZZXKLOSA-N -1 3 380.792 0.067 20 0 GCADHM COC(=O)C1=NO[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)c(OC)c3)C2)C1 ZINC001571267042 945561363 /nfs/dbraw/zinc/56/13/63/945561363.db2.gz HLASJUASTIIJMN-QGZVFWFLSA-N -1 3 386.368 0.409 20 0 GCADHM COC(=O)C1=NO[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)c(OC)c3)C2)C1 ZINC001571267042 945561370 /nfs/dbraw/zinc/56/13/70/945561370.db2.gz HLASJUASTIIJMN-QGZVFWFLSA-N -1 3 386.368 0.409 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001571267145 945562669 /nfs/dbraw/zinc/56/26/69/945562669.db2.gz KPZMUCANFYPCRA-TZMCWYRMSA-N -1 3 386.391 0.271 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001571267145 945562680 /nfs/dbraw/zinc/56/26/80/945562680.db2.gz KPZMUCANFYPCRA-TZMCWYRMSA-N -1 3 386.391 0.271 20 0 GCADHM COc1nc(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)co1 ZINC001571267254 945564588 /nfs/dbraw/zinc/56/45/88/945564588.db2.gz NVVHESCHFMBOJJ-VIFPVBQESA-N -1 3 386.372 0.178 20 0 GCADHM COc1nc(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)co1 ZINC001571267254 945564594 /nfs/dbraw/zinc/56/45/94/945564594.db2.gz NVVHESCHFMBOJJ-VIFPVBQESA-N -1 3 386.372 0.178 20 0 GCADHM CCC(=O)N[C@H](C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000820838573 945568207 /nfs/dbraw/zinc/56/82/07/945568207.db2.gz WLVLBNRUVXZDBU-LLVKDONJSA-N -1 3 387.444 0.681 20 0 GCADHM CCC(=O)N[C@H](C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000820838573 945568212 /nfs/dbraw/zinc/56/82/12/945568212.db2.gz WLVLBNRUVXZDBU-LLVKDONJSA-N -1 3 387.444 0.681 20 0 GCADHM CCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)on1 ZINC001571267362 945569568 /nfs/dbraw/zinc/56/95/68/945569568.db2.gz RTRUVAXUPMFZCO-SNVBAGLBSA-N -1 3 386.372 0.226 20 0 GCADHM CCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)on1 ZINC001571267362 945569570 /nfs/dbraw/zinc/56/95/70/945569570.db2.gz RTRUVAXUPMFZCO-SNVBAGLBSA-N -1 3 386.372 0.226 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O)c1ccco1 ZINC001571267462 945571662 /nfs/dbraw/zinc/57/16/62/945571662.db2.gz VVSKKRUZEKVKBI-CABCVRRESA-N -1 3 386.387 0.964 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O)c1ccco1 ZINC001571267462 945571667 /nfs/dbraw/zinc/57/16/67/945571667.db2.gz VVSKKRUZEKVKBI-CABCVRRESA-N -1 3 386.387 0.964 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cn(CCOC)nn1 ZINC001571267620 945575519 /nfs/dbraw/zinc/57/55/19/945575519.db2.gz AJSHNWKCJRKIPU-UHFFFAOYSA-N -1 3 386.416 0.393 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cn(CCOC)nn1 ZINC001571267620 945575521 /nfs/dbraw/zinc/57/55/21/945575521.db2.gz AJSHNWKCJRKIPU-UHFFFAOYSA-N -1 3 386.416 0.393 20 0 GCADHM COc1cc(CN2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)on1 ZINC001571267718 945576783 /nfs/dbraw/zinc/57/67/83/945576783.db2.gz CQEGVYSTUHZYGP-GWCFXTLKSA-N -1 3 386.416 0.974 20 0 GCADHM COc1cc(CN2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)on1 ZINC001571267718 945576790 /nfs/dbraw/zinc/57/67/90/945576790.db2.gz CQEGVYSTUHZYGP-GWCFXTLKSA-N -1 3 386.416 0.974 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571267821 945580165 /nfs/dbraw/zinc/58/01/65/945580165.db2.gz GAGFGBDJOWTTIU-SKDRFNHKSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571267821 945580168 /nfs/dbraw/zinc/58/01/68/945580168.db2.gz GAGFGBDJOWTTIU-SKDRFNHKSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571267932 945584419 /nfs/dbraw/zinc/58/44/19/945584419.db2.gz JIXSMLNDYYDNKQ-SKDRFNHKSA-N -1 3 386.395 0.492 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571267932 945584421 /nfs/dbraw/zinc/58/44/21/945584421.db2.gz JIXSMLNDYYDNKQ-SKDRFNHKSA-N -1 3 386.395 0.492 20 0 GCADHM COC[C@H](O)CNC(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001571268016 945585584 /nfs/dbraw/zinc/58/55/84/945585584.db2.gz LHUMKAPYXYPCPY-CQSZACIVSA-N -1 3 386.416 0.074 20 0 GCADHM COC[C@H](O)CNC(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001571268016 945585588 /nfs/dbraw/zinc/58/55/88/945585588.db2.gz LHUMKAPYXYPCPY-CQSZACIVSA-N -1 3 386.416 0.074 20 0 GCADHM Cn1ccc(C(=O)N2CCO[C@@H](CNc3cccc(F)c3-c3nnn[n-]3)C2)n1 ZINC001571268000 945585866 /nfs/dbraw/zinc/58/58/66/945585866.db2.gz KUGSELMFIYAGIF-NSHDSACASA-N -1 3 386.391 0.692 20 0 GCADHM Cn1ccc(C(=O)N2CCO[C@@H](CNc3cccc(F)c3-c3nn[n-]n3)C2)n1 ZINC001571268000 945585872 /nfs/dbraw/zinc/58/58/72/945585872.db2.gz KUGSELMFIYAGIF-NSHDSACASA-N -1 3 386.391 0.692 20 0 GCADHM Cn1cnc(C(=O)N2CCCC[C@H]2CNc2ncc(-c3nnn[n-]3)cc2F)n1 ZINC001571268412 945595752 /nfs/dbraw/zinc/59/57/52/945595752.db2.gz REFADRCMEKNEJR-NSHDSACASA-N -1 3 386.395 0.636 20 0 GCADHM Cn1cnc(C(=O)N2CCCC[C@H]2CNc2ncc(-c3nn[n-]n3)cc2F)n1 ZINC001571268412 945595757 /nfs/dbraw/zinc/59/57/57/945595757.db2.gz REFADRCMEKNEJR-NSHDSACASA-N -1 3 386.395 0.636 20 0 GCADHM CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(Cc2cc(OC)no2)C1 ZINC001571268510 945598204 /nfs/dbraw/zinc/59/82/04/945598204.db2.gz URDIZVJSVBDCEB-LBPRGKRZSA-N -1 3 386.416 0.928 20 0 GCADHM CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(Cc2cc(OC)no2)C1 ZINC001571268510 945598214 /nfs/dbraw/zinc/59/82/14/945598214.db2.gz URDIZVJSVBDCEB-LBPRGKRZSA-N -1 3 386.416 0.928 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571268665 945602363 /nfs/dbraw/zinc/60/23/63/945602363.db2.gz WKACVLIDEGOZLX-GXSJLCMTSA-N -1 3 386.395 0.540 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571268665 945602367 /nfs/dbraw/zinc/60/23/67/945602367.db2.gz WKACVLIDEGOZLX-GXSJLCMTSA-N -1 3 386.395 0.540 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571268666 945602407 /nfs/dbraw/zinc/60/24/07/945602407.db2.gz WKACVLIDEGOZLX-KOLCDFICSA-N -1 3 386.395 0.540 20 0 GCADHM Cn1nncc1C(=O)N[C@H]1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571268666 945602409 /nfs/dbraw/zinc/60/24/09/945602409.db2.gz WKACVLIDEGOZLX-KOLCDFICSA-N -1 3 386.395 0.540 20 0 GCADHM Cc1nnc(CC(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)c(F)c3)CC2)o1 ZINC001571268907 945607679 /nfs/dbraw/zinc/60/76/79/945607679.db2.gz ZBODMROLLUQHKE-UHFFFAOYSA-N -1 3 386.391 0.584 20 0 GCADHM Cc1nnc(CC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)c(F)c3)CC2)o1 ZINC001571268907 945607684 /nfs/dbraw/zinc/60/76/84/945607684.db2.gz ZBODMROLLUQHKE-UHFFFAOYSA-N -1 3 386.391 0.584 20 0 GCADHM Cc1cc(CN[C@@H](C)[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)no1 ZINC001571268951 945608408 /nfs/dbraw/zinc/60/84/08/945608408.db2.gz LJHNMVQANJVBOI-XHDPSFHLSA-N -1 3 386.416 0.511 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001571269358 945617875 /nfs/dbraw/zinc/61/78/75/945617875.db2.gz WKMDVLAQLRNWAQ-GARJFASQSA-N -1 3 386.416 0.227 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001571269358 945617879 /nfs/dbraw/zinc/61/78/79/945617879.db2.gz WKMDVLAQLRNWAQ-GARJFASQSA-N -1 3 386.416 0.227 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)s1 ZINC001571269624 945623224 /nfs/dbraw/zinc/62/32/24/945623224.db2.gz ATDIKVAEMYMGNU-LLVKDONJSA-N -1 3 386.441 0.913 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)s1 ZINC001571269624 945623230 /nfs/dbraw/zinc/62/32/30/945623230.db2.gz ATDIKVAEMYMGNU-LLVKDONJSA-N -1 3 386.441 0.913 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ns1 ZINC001571269636 945623377 /nfs/dbraw/zinc/62/33/77/945623377.db2.gz BHDXIELAMUTWSD-LLVKDONJSA-N -1 3 386.441 0.994 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ns1 ZINC001571269636 945623381 /nfs/dbraw/zinc/62/33/81/945623381.db2.gz BHDXIELAMUTWSD-LLVKDONJSA-N -1 3 386.441 0.994 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)ns1 ZINC001571269694 945623394 /nfs/dbraw/zinc/62/33/94/945623394.db2.gz CIWGEYHJPVZRTB-GFCCVEGCSA-N -1 3 386.441 0.662 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)ns1 ZINC001571269694 945623402 /nfs/dbraw/zinc/62/34/02/945623402.db2.gz CIWGEYHJPVZRTB-GFCCVEGCSA-N -1 3 386.441 0.662 20 0 GCADHM Cc1nscc1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571269900 945627051 /nfs/dbraw/zinc/62/70/51/945627051.db2.gz HFQNEPBZWZSBSP-UHFFFAOYSA-N -1 3 386.441 0.994 20 0 GCADHM Cc1nscc1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571269900 945627057 /nfs/dbraw/zinc/62/70/57/945627057.db2.gz HFQNEPBZWZSBSP-UHFFFAOYSA-N -1 3 386.441 0.994 20 0 GCADHM CCn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2snc(C)c2-c2nnn[n-]2)n1 ZINC001571270019 945629115 /nfs/dbraw/zinc/62/91/15/945629115.db2.gz KSFCYTAKDJCMCL-UWVGGRQHSA-N -1 3 386.445 0.346 20 0 GCADHM Cc1ncsc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571270023 945629183 /nfs/dbraw/zinc/62/91/83/945629183.db2.gz KVJXNZRFOLQHEG-KOLCDFICSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncsc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571270023 945629185 /nfs/dbraw/zinc/62/91/85/945629185.db2.gz KVJXNZRFOLQHEG-KOLCDFICSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncsc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571270024 945629613 /nfs/dbraw/zinc/62/96/13/945629613.db2.gz KVJXNZRFOLQHEG-MWLCHTKSSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncsc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571270024 945629619 /nfs/dbraw/zinc/62/96/19/945629619.db2.gz KVJXNZRFOLQHEG-MWLCHTKSSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1nsc(N[C@@H]2CN(C(=O)c3nccnc3N)C[C@@H]2C)c1-c1nnn[n-]1 ZINC001571270319 945634496 /nfs/dbraw/zinc/63/44/96/945634496.db2.gz QDKMHMJIVHGVBC-IONNQARKSA-N -1 3 386.445 0.576 20 0 GCADHM Cc1ncc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)s1 ZINC001571270330 945635184 /nfs/dbraw/zinc/63/51/84/945635184.db2.gz QGJQOTWGOMIAFD-LDYMZIIASA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)s1 ZINC001571270330 945635186 /nfs/dbraw/zinc/63/51/86/945635186.db2.gz QGJQOTWGOMIAFD-LDYMZIIASA-N -1 3 386.441 0.993 20 0 GCADHM Cc1nnc(N2CCc3c(cccc3S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC001571270300 945635322 /nfs/dbraw/zinc/63/53/22/945635322.db2.gz PMUVOFJQCNZIJC-UHFFFAOYSA-N -1 3 386.441 0.484 20 0 GCADHM Cc1nnc(N2CCc3c(cccc3S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC001571270300 945635328 /nfs/dbraw/zinc/63/53/28/945635328.db2.gz PMUVOFJQCNZIJC-UHFFFAOYSA-N -1 3 386.441 0.484 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)Cc1cncs1 ZINC001571270379 945635699 /nfs/dbraw/zinc/63/56/99/945635699.db2.gz RTVQNZPMJRGQJB-MWLCHTKSSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)Cc1cncs1 ZINC001571270379 945635704 /nfs/dbraw/zinc/63/57/04/945635704.db2.gz RTVQNZPMJRGQJB-MWLCHTKSSA-N -1 3 386.441 0.613 20 0 GCADHM Cc1ncsc1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571270396 945636743 /nfs/dbraw/zinc/63/67/43/945636743.db2.gz SJRYCOFFHVJIMT-JGZJWPJOSA-N -1 3 386.441 0.898 20 0 GCADHM Cc1ncsc1C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571270396 945636750 /nfs/dbraw/zinc/63/67/50/945636750.db2.gz SJRYCOFFHVJIMT-JGZJWPJOSA-N -1 3 386.441 0.898 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)c3cccnc3)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571270443 945637215 /nfs/dbraw/zinc/63/72/15/945637215.db2.gz TYYNEZBTVRRGLA-RYUDHWBXSA-N -1 3 386.441 0.396 20 0 GCADHM Cc1nscc1C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571270644 945640826 /nfs/dbraw/zinc/64/08/26/945640826.db2.gz XMUWRORNOYETMG-NSHDSACASA-N -1 3 386.441 0.946 20 0 GCADHM Cc1nscc1C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571270644 945640831 /nfs/dbraw/zinc/64/08/31/945640831.db2.gz XMUWRORNOYETMG-NSHDSACASA-N -1 3 386.441 0.946 20 0 GCADHM O=C(Cc1cncs1)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001571270691 945640862 /nfs/dbraw/zinc/64/08/62/945640862.db2.gz YWZUDQSODVVZMG-CHWSQXEVSA-N -1 3 386.441 0.017 20 0 GCADHM O=C(Cc1cncs1)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001571270691 945640868 /nfs/dbraw/zinc/64/08/68/945640868.db2.gz YWZUDQSODVVZMG-CHWSQXEVSA-N -1 3 386.441 0.017 20 0 GCADHM CCCn1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1 ZINC000821147738 945641861 /nfs/dbraw/zinc/64/18/61/945641861.db2.gz IOYAWQYKDBWRSG-UHFFFAOYSA-N -1 3 384.404 0.035 20 0 GCADHM CCCn1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1 ZINC000821147738 945641864 /nfs/dbraw/zinc/64/18/64/945641864.db2.gz IOYAWQYKDBWRSG-UHFFFAOYSA-N -1 3 384.404 0.035 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3ccsn3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571270722 945643080 /nfs/dbraw/zinc/64/30/80/945643080.db2.gz ZRFHZKJRXWNWMJ-YPMHNXCESA-N -1 3 386.441 0.396 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3ccsn3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571270722 945643085 /nfs/dbraw/zinc/64/30/85/945643085.db2.gz ZRFHZKJRXWNWMJ-YPMHNXCESA-N -1 3 386.441 0.396 20 0 GCADHM CCNC(=O)C1CN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821277798 945664937 /nfs/dbraw/zinc/66/49/37/945664937.db2.gz ZJCMVFCPXHMQDB-UHFFFAOYSA-N -1 3 389.485 0.874 20 0 GCADHM CCNC(=O)C1CN(C(=O)CSc2nc(C)c(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821277798 945664939 /nfs/dbraw/zinc/66/49/39/945664939.db2.gz ZJCMVFCPXHMQDB-UHFFFAOYSA-N -1 3 389.485 0.874 20 0 GCADHM CCOC(=O)C1(O)CCN([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821319105 945668793 /nfs/dbraw/zinc/66/87/93/945668793.db2.gz AOMDJRBOVZQLFZ-GFCCVEGCSA-N -1 3 388.428 0.584 20 0 GCADHM CCOC(=O)C1(O)CCN([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821319105 945668800 /nfs/dbraw/zinc/66/88/00/945668800.db2.gz AOMDJRBOVZQLFZ-GFCCVEGCSA-N -1 3 388.428 0.584 20 0 GCADHM CCOC(=O)CCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821325758 945670455 /nfs/dbraw/zinc/67/04/55/945670455.db2.gz LTGVFRGVZJHKPB-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM CCOC(=O)CCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821325758 945670459 /nfs/dbraw/zinc/67/04/59/945670459.db2.gz LTGVFRGVZJHKPB-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM CO[C@H](C)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001571273290 945683159 /nfs/dbraw/zinc/68/31/59/945683159.db2.gz USSWDZKSLCIAPI-HIFRSBDPSA-N -1 3 386.460 0.020 20 0 GCADHM CO[C@H](C)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001571273290 945683161 /nfs/dbraw/zinc/68/31/61/945683161.db2.gz USSWDZKSLCIAPI-HIFRSBDPSA-N -1 3 386.460 0.020 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC2CC(NC(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC001571273337 945685601 /nfs/dbraw/zinc/68/56/01/945685601.db2.gz VUQNFDDUUBKEOS-SSDMNJCBSA-N -1 3 386.460 0.207 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC2CC(NC(=O)[C@H]3CN(C)CCO3)C2)n1 ZINC001571273337 945685604 /nfs/dbraw/zinc/68/56/04/945685604.db2.gz VUQNFDDUUBKEOS-SSDMNJCBSA-N -1 3 386.460 0.207 20 0 GCADHM CN1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571273378 945686943 /nfs/dbraw/zinc/68/69/43/945686943.db2.gz WMEBYNIJDYOUBJ-ZFWWWQNUSA-N -1 3 386.460 0.385 20 0 GCADHM CN1CCO[C@H](C(=O)N2CCCC[C@H]2CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571273378 945686948 /nfs/dbraw/zinc/68/69/48/945686948.db2.gz WMEBYNIJDYOUBJ-ZFWWWQNUSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)(C(=O)NCCn1ccc(=O)[nH]c1=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571274061 945692933 /nfs/dbraw/zinc/69/29/33/945692933.db2.gz AOSUGZRGBKKZHC-UHFFFAOYSA-N -1 3 387.375 0.362 20 0 GCADHM CC(C)(C(=O)NCCn1ccc(=O)[nH]c1=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571274061 945692941 /nfs/dbraw/zinc/69/29/41/945692941.db2.gz AOSUGZRGBKKZHC-UHFFFAOYSA-N -1 3 387.375 0.362 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571274104 945693312 /nfs/dbraw/zinc/69/33/12/945693312.db2.gz AZWNUJKWTIZAFK-SNVBAGLBSA-N -1 3 387.379 0.385 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571274104 945693316 /nfs/dbraw/zinc/69/33/16/945693316.db2.gz AZWNUJKWTIZAFK-SNVBAGLBSA-N -1 3 387.379 0.385 20 0 GCADHM Cc1coc(C(=O)NC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)c1 ZINC001571274945 945700912 /nfs/dbraw/zinc/70/09/12/945700912.db2.gz MZENEVXWVLOULY-LBPRGKRZSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1coc(C(=O)NC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)c1 ZINC001571274945 945700919 /nfs/dbraw/zinc/70/09/19/945700919.db2.gz MZENEVXWVLOULY-LBPRGKRZSA-N -1 3 387.375 0.937 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)c1n[nH]cc1F ZINC001571274891 945701451 /nfs/dbraw/zinc/70/14/51/945701451.db2.gz MHAJINFXZJXYPE-VIFPVBQESA-N -1 3 387.379 0.434 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)c1n[nH]cc1F ZINC001571274891 945701456 /nfs/dbraw/zinc/70/14/56/945701456.db2.gz MHAJINFXZJXYPE-VIFPVBQESA-N -1 3 387.379 0.434 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2COCCN2c2cccc(F)c2-c2nnn[n-]2)on1 ZINC001571275524 945706584 /nfs/dbraw/zinc/70/65/84/945706584.db2.gz VOWNTSXWROYDAM-NSHDSACASA-N -1 3 387.375 0.937 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2COCCN2c2cccc(F)c2-c2nn[n-]n2)on1 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/nfs/dbraw/zinc/77/73/59/945777359.db2.gz OGCKCQFHHPUJAT-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001571279449 945778099 /nfs/dbraw/zinc/77/80/99/945778099.db2.gz ORZUEHDFHYJVFN-SGTLLEGYSA-N -1 3 387.444 0.684 20 0 GCADHM CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001571279449 945778106 /nfs/dbraw/zinc/77/81/06/945778106.db2.gz ORZUEHDFHYJVFN-SGTLLEGYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571279507 945779452 /nfs/dbraw/zinc/77/94/52/945779452.db2.gz QOAULXSKAVXMSG-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571279507 945779458 /nfs/dbraw/zinc/77/94/58/945779458.db2.gz QOAULXSKAVXMSG-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM COc1ccsc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001571279464 945779495 /nfs/dbraw/zinc/77/94/95/945779495.db2.gz POOMAPXRUIXOMC-GHMZBOCLSA-N -1 3 387.425 0.311 20 0 GCADHM COc1ccsc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001571279464 945779500 /nfs/dbraw/zinc/77/95/00/945779500.db2.gz POOMAPXRUIXOMC-GHMZBOCLSA-N -1 3 387.425 0.311 20 0 GCADHM COC(=O)C[C@@H](C)N1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821657495 945780991 /nfs/dbraw/zinc/78/09/91/945780991.db2.gz OXTNNRGSHCACGP-CYBMUJFWSA-N -1 3 388.428 0.341 20 0 GCADHM COC(=O)C[C@@H](C)N1CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821657495 945780995 /nfs/dbraw/zinc/78/09/95/945780995.db2.gz OXTNNRGSHCACGP-CYBMUJFWSA-N -1 3 388.428 0.341 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC001571279596 945782444 /nfs/dbraw/zinc/78/24/44/945782444.db2.gz SPCODZMXRLAVCP-SSDMNJCBSA-N -1 3 387.444 0.873 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC001571279596 945782451 /nfs/dbraw/zinc/78/24/51/945782451.db2.gz SPCODZMXRLAVCP-SSDMNJCBSA-N -1 3 387.444 0.873 20 0 GCADHM COC(=O)CC1(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCC1 ZINC000821658726 945783434 /nfs/dbraw/zinc/78/34/34/945783434.db2.gz GSULFWZRGWJKBF-UHFFFAOYSA-N -1 3 396.411 0.850 20 0 GCADHM COC(=O)CC1(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCC1 ZINC000821658726 945783438 /nfs/dbraw/zinc/78/34/38/945783438.db2.gz GSULFWZRGWJKBF-UHFFFAOYSA-N -1 3 396.411 0.850 20 0 GCADHM COc1ccc(CN2CC3(C2)C[C@H](NC(=O)C(C)C)CO3)cc1-c1nnn[n-]1 ZINC001571279682 945784719 /nfs/dbraw/zinc/78/47/19/945784719.db2.gz XVRDWNNXQNWMRL-AWEZNQCLSA-N -1 3 386.456 0.991 20 0 GCADHM COc1ccc(CN2CC3(C2)C[C@H](NC(=O)C(C)C)CO3)cc1-c1nn[n-]n1 ZINC001571279682 945784722 /nfs/dbraw/zinc/78/47/22/945784722.db2.gz XVRDWNNXQNWMRL-AWEZNQCLSA-N -1 3 386.456 0.991 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571279646 945785173 /nfs/dbraw/zinc/78/51/73/945785173.db2.gz XJUILUVOGWRFDS-DZGCQCFKSA-N -1 3 386.460 0.067 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571279646 945785179 /nfs/dbraw/zinc/78/51/79/945785179.db2.gz XJUILUVOGWRFDS-DZGCQCFKSA-N -1 3 386.460 0.067 20 0 GCADHM COC(=O)NCCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821664971 945785423 /nfs/dbraw/zinc/78/54/23/945785423.db2.gz QEKJBNNBMYJNEH-UHFFFAOYSA-N -1 3 389.416 0.512 20 0 GCADHM COC(=O)NCCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821664971 945785426 /nfs/dbraw/zinc/78/54/26/945785426.db2.gz QEKJBNNBMYJNEH-UHFFFAOYSA-N -1 3 389.416 0.512 20 0 GCADHM CO[C@@H]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279720 945786416 /nfs/dbraw/zinc/78/64/16/945786416.db2.gz UDPNLADNFKLQAH-IUODEOHRSA-N -1 3 387.444 0.731 20 0 GCADHM CO[C@@H]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571279720 945786426 /nfs/dbraw/zinc/78/64/26/945786426.db2.gz UDPNLADNFKLQAH-IUODEOHRSA-N -1 3 387.444 0.731 20 0 GCADHM Cc1nsc(NC[C@@H]2CN(C(=O)c3cccnn3)CCO2)c1-c1nnn[n-]1 ZINC001571279731 945786897 /nfs/dbraw/zinc/78/68/97/945786897.db2.gz UIZSBWZATZNHEU-SNVBAGLBSA-N -1 3 387.429 0.375 20 0 GCADHM Cc1nsc(NC[C@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)c1-c1nnn[n-]1 ZINC001571279769 945787197 /nfs/dbraw/zinc/78/71/97/945787197.db2.gz VGLUBKRJMCJFBZ-SECBINFHSA-N -1 3 387.429 0.701 20 0 GCADHM CN(C(=O)C[C@@H]1CCCOC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571279823 945787685 /nfs/dbraw/zinc/78/76/85/945787685.db2.gz XDPSBYMUMDIPLJ-JSGCOSHPSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)C[C@@H]1CCCOC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571279823 945787693 /nfs/dbraw/zinc/78/76/93/945787693.db2.gz XDPSBYMUMDIPLJ-JSGCOSHPSA-N -1 3 387.444 0.684 20 0 GCADHM CCOC1CC(C(=O)N2CC[C@@H](N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571279814 945788330 /nfs/dbraw/zinc/78/83/30/945788330.db2.gz XAUCUEVIBLRUNA-HRDQMINSSA-N -1 3 387.444 0.683 20 0 GCADHM CCOC1CC(C(=O)N2CC[C@@H](N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571279814 945788337 /nfs/dbraw/zinc/78/83/37/945788337.db2.gz XAUCUEVIBLRUNA-HRDQMINSSA-N -1 3 387.444 0.683 20 0 GCADHM CO[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571279809 945788428 /nfs/dbraw/zinc/78/84/28/945788428.db2.gz WVDMPPYNCBXILJ-ZIAGYGMSSA-N -1 3 387.444 0.587 20 0 GCADHM CO[C@@H]1CN(C(=O)C2CC(C)(C)C2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571279809 945788434 /nfs/dbraw/zinc/78/84/34/945788434.db2.gz WVDMPPYNCBXILJ-ZIAGYGMSSA-N -1 3 387.444 0.587 20 0 GCADHM CO[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@@H]1CCOC1 ZINC001571279774 945788610 /nfs/dbraw/zinc/78/86/10/945788610.db2.gz VHJIDJYEDYWCEP-CJNGLKHVSA-N -1 3 387.444 0.352 20 0 GCADHM CO[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@@H]1CCOC1 ZINC001571279774 945788615 /nfs/dbraw/zinc/78/86/15/945788615.db2.gz VHJIDJYEDYWCEP-CJNGLKHVSA-N -1 3 387.444 0.352 20 0 GCADHM CO[C@@H](C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1)C1CC1 ZINC001571279895 945790053 /nfs/dbraw/zinc/79/00/53/945790053.db2.gz YTGGACRXLOQOET-UONOGXRCSA-N -1 3 387.444 0.587 20 0 GCADHM CO[C@@H](C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1)C1CC1 ZINC001571279895 945790056 /nfs/dbraw/zinc/79/00/56/945790056.db2.gz YTGGACRXLOQOET-UONOGXRCSA-N -1 3 387.444 0.587 20 0 GCADHM COC1CCC(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001571279914 945790535 /nfs/dbraw/zinc/79/05/35/945790535.db2.gz ZHJQHGIHEFBUDS-OTTFEQOBSA-N -1 3 387.444 0.731 20 0 GCADHM COC1CCC(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001571279914 945790543 /nfs/dbraw/zinc/79/05/43/945790543.db2.gz ZHJQHGIHEFBUDS-OTTFEQOBSA-N -1 3 387.444 0.731 20 0 GCADHM CC[C@H]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)O1 ZINC001571279917 945790580 /nfs/dbraw/zinc/79/05/80/945790580.db2.gz ZJMKCTUTJFMQRY-OXIQGZBJSA-N -1 3 387.444 0.777 20 0 GCADHM CC[C@H]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)O1 ZINC001571279917 945790590 /nfs/dbraw/zinc/79/05/90/945790590.db2.gz ZJMKCTUTJFMQRY-OXIQGZBJSA-N -1 3 387.444 0.777 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571279889 945790667 /nfs/dbraw/zinc/79/06/67/945790667.db2.gz YSAIAFYHQLNOKG-ZLDLUXBVSA-N -1 3 387.444 0.683 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571279889 945790674 /nfs/dbraw/zinc/79/06/74/945790674.db2.gz YSAIAFYHQLNOKG-ZLDLUXBVSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@](O)(CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001571279857 945791302 /nfs/dbraw/zinc/79/13/02/945791302.db2.gz XYYORHQCGAVLEH-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@](O)(CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001571279857 945791310 /nfs/dbraw/zinc/79/13/10/945791310.db2.gz XYYORHQCGAVLEH-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573447348 945797273 /nfs/dbraw/zinc/79/72/73/945797273.db2.gz XFLSTQBZNYNRQR-OAHLLOKOSA-N -1 3 384.444 0.311 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573447348 945797285 /nfs/dbraw/zinc/79/72/85/945797285.db2.gz XFLSTQBZNYNRQR-OAHLLOKOSA-N -1 3 384.444 0.311 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573448448 945807809 /nfs/dbraw/zinc/80/78/09/945807809.db2.gz KKZRXDLSLXKFHP-CYBMUJFWSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573448448 945807818 /nfs/dbraw/zinc/80/78/18/945807818.db2.gz KKZRXDLSLXKFHP-CYBMUJFWSA-N -1 3 392.851 0.478 20 0 GCADHM COC[C@]1(C)CC(=O)N(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000821683638 945808210 /nfs/dbraw/zinc/80/82/10/945808210.db2.gz GQJHWJJFTDJUCY-GOSISDBHSA-N -1 3 386.460 0.226 20 0 GCADHM COC[C@]1(C)CC(=O)N(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821683638 945808218 /nfs/dbraw/zinc/80/82/18/945808218.db2.gz GQJHWJJFTDJUCY-GOSISDBHSA-N -1 3 386.460 0.226 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573448740 945810161 /nfs/dbraw/zinc/81/01/61/945810161.db2.gz LMPZLNWAVBZKBZ-QMTHXVAHSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573448740 945810169 /nfs/dbraw/zinc/81/01/69/945810169.db2.gz LMPZLNWAVBZKBZ-QMTHXVAHSA-N -1 3 375.408 0.933 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(C)CC[C@@H](C)O ZINC000821688258 945812048 /nfs/dbraw/zinc/81/20/48/945812048.db2.gz DSWAARVOMODJTM-GFCCVEGCSA-N -1 3 393.492 0.963 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN(C)CC[C@@H](C)O ZINC000821688258 945812056 /nfs/dbraw/zinc/81/20/56/945812056.db2.gz DSWAARVOMODJTM-GFCCVEGCSA-N -1 3 393.492 0.963 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)[C@]3(C)CCOC3)CCO2)ccc1-c1nnn[n-]1 ZINC001571281843 945815892 /nfs/dbraw/zinc/81/58/92/945815892.db2.gz AWABPWSECRIJTD-FZKQIMNGSA-N -1 3 387.444 0.636 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)[C@]3(C)CCOC3)CCO2)ccc1-c1nn[n-]n1 ZINC001571281843 945815904 /nfs/dbraw/zinc/81/59/04/945815904.db2.gz AWABPWSECRIJTD-FZKQIMNGSA-N -1 3 387.444 0.636 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573449116 945816296 /nfs/dbraw/zinc/81/62/96/945816296.db2.gz TYMCCQFMUSYTPL-XJKSGUPXSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573449116 945816314 /nfs/dbraw/zinc/81/63/14/945816314.db2.gz TYMCCQFMUSYTPL-XJKSGUPXSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573449294 945816556 /nfs/dbraw/zinc/81/65/56/945816556.db2.gz YHKBIQBSPJXGOX-CQSZACIVSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573449294 945816569 /nfs/dbraw/zinc/81/65/69/945816569.db2.gz YHKBIQBSPJXGOX-CQSZACIVSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCC1 ZINC001573449240 945817321 /nfs/dbraw/zinc/81/73/21/945817321.db2.gz VBLLHCHYGXDMLP-CQSZACIVSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCC1 ZINC001573449240 945817334 /nfs/dbraw/zinc/81/73/34/945817334.db2.gz VBLLHCHYGXDMLP-CQSZACIVSA-N -1 3 384.444 0.723 20 0 GCADHM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4[C@@H]5COC[C@@H]54)[C@@H]3C2)c1-c1nnn[n-]1 ZINC001571281848 945818159 /nfs/dbraw/zinc/81/81/59/945818159.db2.gz PAOTZEZVWNGCPZ-DXSSJJFTSA-N -1 3 387.469 0.322 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571281823 945818312 /nfs/dbraw/zinc/81/83/12/945818312.db2.gz AHYPHOQMJSWSEK-BZPMIXESSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571281823 945818319 /nfs/dbraw/zinc/81/83/19/945818319.db2.gz AHYPHOQMJSWSEK-BZPMIXESSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573449360 945820317 /nfs/dbraw/zinc/82/03/17/945820317.db2.gz ZNRQEUJXKJMJSK-PESDSKBTSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573449360 945820329 /nfs/dbraw/zinc/82/03/29/945820329.db2.gz ZNRQEUJXKJMJSK-PESDSKBTSA-N -1 3 384.444 0.579 20 0 GCADHM O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282103 945826687 /nfs/dbraw/zinc/82/66/87/945826687.db2.gz CZNFXDICWNEVDI-KWCYVHTRSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282103 945826692 /nfs/dbraw/zinc/82/66/92/945826692.db2.gz CZNFXDICWNEVDI-KWCYVHTRSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282105 945826829 /nfs/dbraw/zinc/82/68/29/945826829.db2.gz CZNFXDICWNEVDI-MRVWCRGKSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282105 945826840 /nfs/dbraw/zinc/82/68/40/945826840.db2.gz CZNFXDICWNEVDI-MRVWCRGKSA-N -1 3 387.444 0.467 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001571282143 945830167 /nfs/dbraw/zinc/83/01/67/945830167.db2.gz FAMWYMLESUDSIN-HOCLYGCPSA-N -1 3 387.444 0.860 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001571282143 945830178 /nfs/dbraw/zinc/83/01/78/945830178.db2.gz FAMWYMLESUDSIN-HOCLYGCPSA-N -1 3 387.444 0.860 20 0 GCADHM O=C([C@H]1COCCO1)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001571282141 945832185 /nfs/dbraw/zinc/83/21/85/945832185.db2.gz FAMWYMLESUDSIN-GDBMZVCRSA-N -1 3 387.444 0.860 20 0 GCADHM O=C([C@H]1COCCO1)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001571282141 945832199 /nfs/dbraw/zinc/83/21/99/945832199.db2.gz FAMWYMLESUDSIN-GDBMZVCRSA-N -1 3 387.444 0.860 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H]1CC[S@](=O)C1 ZINC000821701649 945837053 /nfs/dbraw/zinc/83/70/53/945837053.db2.gz XIHNNDPQXZXSDH-RYZVSIALSA-N -1 3 379.442 0.672 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H]1CC[S@](=O)C1 ZINC000821701649 945837064 /nfs/dbraw/zinc/83/70/64/945837064.db2.gz XIHNNDPQXZXSDH-RYZVSIALSA-N -1 3 379.442 0.672 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCOC2(CN(CC[C@H]3CCCO3)C2)C1 ZINC001571282363 945841707 /nfs/dbraw/zinc/84/17/07/945841707.db2.gz IOYRRUXULSDSHB-CQSZACIVSA-N -1 3 387.444 0.291 20 0 GCADHM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3cnn(C)c3C)C2)c1-c1nnn[n-]1 ZINC001571282369 945842828 /nfs/dbraw/zinc/84/28/28/945842828.db2.gz WJQXVOAOKIODGY-PRHODGIISA-N -1 3 387.473 0.928 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573452376 945849481 /nfs/dbraw/zinc/84/94/81/945849481.db2.gz DGFLPAFJSITBNZ-KSSFIOAISA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573452376 945849493 /nfs/dbraw/zinc/84/94/93/945849493.db2.gz DGFLPAFJSITBNZ-KSSFIOAISA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573452679 945851520 /nfs/dbraw/zinc/85/15/20/945851520.db2.gz HEQNBIIEKDVZPX-KPZWWZAWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573452679 945851538 /nfs/dbraw/zinc/85/15/38/945851538.db2.gz HEQNBIIEKDVZPX-KPZWWZAWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCCNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573452809 945853558 /nfs/dbraw/zinc/85/35/58/945853558.db2.gz HXGXGCSZROSLMF-INIZCTEOSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCCNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573452809 945853565 /nfs/dbraw/zinc/85/35/65/945853565.db2.gz HXGXGCSZROSLMF-INIZCTEOSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573453214 945858117 /nfs/dbraw/zinc/85/81/17/945858117.db2.gz JMGWPZFKZWVFFS-KSSFIOAISA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573453214 945858126 /nfs/dbraw/zinc/85/81/26/945858126.db2.gz JMGWPZFKZWVFFS-KSSFIOAISA-N -1 3 386.460 0.825 20 0 GCADHM O=C(CO[C@H]1CCOC1)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571282815 945860925 /nfs/dbraw/zinc/86/09/25/945860925.db2.gz RVJYPGLXKDENCL-KGLIPLIRSA-N -1 3 387.444 0.860 20 0 GCADHM O=C(CO[C@H]1CCOC1)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571282815 945860939 /nfs/dbraw/zinc/86/09/39/945860939.db2.gz RVJYPGLXKDENCL-KGLIPLIRSA-N -1 3 387.444 0.860 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C1CCCCC1 ZINC001571282824 945861813 /nfs/dbraw/zinc/86/18/13/945861813.db2.gz RYWZNRHPWRHDKY-SWLSCSKDSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C1CCCCC1 ZINC001571282824 945861824 /nfs/dbraw/zinc/86/18/24/945861824.db2.gz RYWZNRHPWRHDKY-SWLSCSKDSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(CO[C@H]1CCOC1)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571282814 945862948 /nfs/dbraw/zinc/86/29/48/945862948.db2.gz RVJYPGLXKDENCL-KBPBESRZSA-N -1 3 387.444 0.860 20 0 GCADHM O=C(CO[C@H]1CCOC1)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571282814 945862957 /nfs/dbraw/zinc/86/29/57/945862957.db2.gz RVJYPGLXKDENCL-KBPBESRZSA-N -1 3 387.444 0.860 20 0 GCADHM O=C(CC1CCOCC1)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571282976 945868438 /nfs/dbraw/zinc/86/84/38/945868438.db2.gz WZYQQZQFOUZKHN-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(CC1CCOCC1)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571282976 945868451 /nfs/dbraw/zinc/86/84/51/945868451.db2.gz WZYQQZQFOUZKHN-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)COC1CCCC1 ZINC001571282984 945868950 /nfs/dbraw/zinc/86/89/50/945868950.db2.gz XOEZVIGYNLFYGR-YPMHNXCESA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)COC1CCCC1 ZINC001571282984 945868955 /nfs/dbraw/zinc/86/89/55/945868955.db2.gz XOEZVIGYNLFYGR-YPMHNXCESA-N -1 3 387.444 0.873 20 0 GCADHM O=C(CC[C@@H]1CCCOC1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571282954 945870639 /nfs/dbraw/zinc/87/06/39/945870639.db2.gz WPBSTLMVNZMSKE-ZDUSSCGKSA-N -1 3 387.444 0.686 20 0 GCADHM O=C(CC[C@@H]1CCCOC1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571282954 945870650 /nfs/dbraw/zinc/87/06/50/945870650.db2.gz WPBSTLMVNZMSKE-ZDUSSCGKSA-N -1 3 387.444 0.686 20 0 GCADHM O=C([C@H]1CCCOC1)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571283060 945872101 /nfs/dbraw/zinc/87/21/01/945872101.db2.gz YPDNFVGXELPJCW-SCLBCKFNSA-N -1 3 387.444 0.454 20 0 GCADHM O=C([C@H]1CCCOC1)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571283060 945872114 /nfs/dbraw/zinc/87/21/14/945872114.db2.gz YPDNFVGXELPJCW-SCLBCKFNSA-N -1 3 387.444 0.454 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)C2CCC(O)CC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571283027 945873295 /nfs/dbraw/zinc/87/32/95/945873295.db2.gz YECSLWNHSXHBBF-OTTFEQOBSA-N -1 3 387.444 0.467 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)C2CCC(O)CC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571283027 945873306 /nfs/dbraw/zinc/87/33/06/945873306.db2.gz YECSLWNHSXHBBF-OTTFEQOBSA-N -1 3 387.444 0.467 20 0 GCADHM Cc1nc(NC[C@H]2CN(C(=O)C[C@H]3CCCO3)CCO2)ccc1-c1nnn[n-]1 ZINC001571283037 945874228 /nfs/dbraw/zinc/87/42/28/945874228.db2.gz YIMNFVCFAKHHHW-KGLIPLIRSA-N -1 3 387.444 0.779 20 0 GCADHM Cc1nc(NC[C@H]2CN(C(=O)C[C@H]3CCCO3)CCO2)ccc1-c1nn[n-]n1 ZINC001571283037 945874243 /nfs/dbraw/zinc/87/42/43/945874243.db2.gz YIMNFVCFAKHHHW-KGLIPLIRSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571283071 945874266 /nfs/dbraw/zinc/87/42/66/945874266.db2.gz YUIVKVNZEKDKMC-NEPJUHHUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571283071 945874279 /nfs/dbraw/zinc/87/42/79/945874279.db2.gz YUIVKVNZEKDKMC-NEPJUHHUSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H](C)CN(C)c1ncccc1-c1nnn[n-]1)C(C)C ZINC001573454303 945876164 /nfs/dbraw/zinc/87/61/64/945876164.db2.gz WWCNCSDHVHLVCC-XIKOKIGWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H](C)CN(C)c1ncccc1-c1nn[n-]n1)C(C)C ZINC001573454303 945876175 /nfs/dbraw/zinc/87/61/75/945876175.db2.gz WWCNCSDHVHLVCC-XIKOKIGWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573455306 945882848 /nfs/dbraw/zinc/88/28/48/945882848.db2.gz CGESZUQYCTWUCF-UHFFFAOYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573455306 945882856 /nfs/dbraw/zinc/88/28/56/945882856.db2.gz CGESZUQYCTWUCF-UHFFFAOYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)(C)C1 ZINC001573455613 945884841 /nfs/dbraw/zinc/88/48/41/945884841.db2.gz FQUQSVWRSRJWLY-CQSZACIVSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C1 ZINC001573455613 945884854 /nfs/dbraw/zinc/88/48/54/945884854.db2.gz FQUQSVWRSRJWLY-CQSZACIVSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCCCN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573455570 945885772 /nfs/dbraw/zinc/88/57/72/945885772.db2.gz FGIWSLDJFCJUFZ-GOSISDBHSA-N -1 3 388.476 0.755 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCCCN(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573455570 945885776 /nfs/dbraw/zinc/88/57/76/945885776.db2.gz FGIWSLDJFCJUFZ-GOSISDBHSA-N -1 3 388.476 0.755 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573456048 945887728 /nfs/dbraw/zinc/88/77/28/945887728.db2.gz IJBRJPLUDOSTMG-CYBMUJFWSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573456048 945887750 /nfs/dbraw/zinc/88/77/50/945887750.db2.gz IJBRJPLUDOSTMG-CYBMUJFWSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573455872 945888817 /nfs/dbraw/zinc/88/88/17/945888817.db2.gz HSQBLHHPUZWMTH-CQSZACIVSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573455872 945888825 /nfs/dbraw/zinc/88/88/25/945888825.db2.gz HSQBLHHPUZWMTH-CQSZACIVSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573456326 945890082 /nfs/dbraw/zinc/89/00/82/945890082.db2.gz JBNUOGRGSPNKFD-GOSISDBHSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573456326 945890092 /nfs/dbraw/zinc/89/00/92/945890092.db2.gz JBNUOGRGSPNKFD-GOSISDBHSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573456447 945893291 /nfs/dbraw/zinc/89/32/91/945893291.db2.gz KOZHLHVARNTFJD-VIFPVBQESA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573456447 945893305 /nfs/dbraw/zinc/89/33/05/945893305.db2.gz KOZHLHVARNTFJD-VIFPVBQESA-N -1 3 378.412 0.574 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)c1occc1Cl ZINC001571284198 945897763 /nfs/dbraw/zinc/89/77/63/945897763.db2.gz MSXMWCVSIVBRRP-GDGBQDQQSA-N -1 3 387.787 0.942 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)c1occc1Cl ZINC001571284198 945897775 /nfs/dbraw/zinc/89/77/75/945897775.db2.gz MSXMWCVSIVBRRP-GDGBQDQQSA-N -1 3 387.787 0.942 20 0 GCADHM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001571284606 945903207 /nfs/dbraw/zinc/90/32/07/945903207.db2.gz RNWQSWZQJCGFME-GXSJLCMTSA-N -1 3 387.805 0.129 20 0 GCADHM COC(=O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001571284606 945903225 /nfs/dbraw/zinc/90/32/25/945903225.db2.gz RNWQSWZQJCGFME-GXSJLCMTSA-N -1 3 387.805 0.129 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573457447 945905763 /nfs/dbraw/zinc/90/57/63/945905763.db2.gz WYJZSORLRPLBGD-UHFFFAOYSA-N -1 3 379.490 0.733 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573457579 945908108 /nfs/dbraw/zinc/90/81/08/945908108.db2.gz XODDLRLUEFPEPW-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM 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ZINC001573462296 945936937 /nfs/dbraw/zinc/93/69/37/945936937.db2.gz FTCWMEVMOVRGKG-UHFFFAOYSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573462336 945937364 /nfs/dbraw/zinc/93/73/64/945937364.db2.gz GUTCWUVJKGCNSU-DGCLKSJQSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573462336 945937371 /nfs/dbraw/zinc/93/73/71/945937371.db2.gz GUTCWUVJKGCNSU-DGCLKSJQSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573462513 945941976 /nfs/dbraw/zinc/94/19/76/945941976.db2.gz KSNJFCDMPSBCKH-CYBMUJFWSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573462513 945941989 /nfs/dbraw/zinc/94/19/89/945941989.db2.gz KSNJFCDMPSBCKH-CYBMUJFWSA-N -1 3 386.460 0.652 20 0 GCADHM CCOC(=O)[C@H](NC(=O)c1sccc1-c1nnn[n-]1)[C@@H](O)c1cccnc1 ZINC001571286313 945942919 /nfs/dbraw/zinc/94/29/19/945942919.db2.gz DLRMMBWSUZLYHK-NEPJUHHUSA-N -1 3 388.409 0.718 20 0 GCADHM CCOC(=O)[C@H](NC(=O)c1sccc1-c1nn[n-]n1)[C@@H](O)c1cccnc1 ZINC001571286313 945942925 /nfs/dbraw/zinc/94/29/25/945942925.db2.gz DLRMMBWSUZLYHK-NEPJUHHUSA-N -1 3 388.409 0.718 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573462760 945944598 /nfs/dbraw/zinc/94/45/98/945944598.db2.gz MWEAHIVWYFNRDH-OCCSQVGLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573462760 945944606 /nfs/dbraw/zinc/94/46/06/945944606.db2.gz MWEAHIVWYFNRDH-OCCSQVGLSA-N -1 3 386.460 0.873 20 0 GCADHM O=C(CN1CCCC1=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571286406 945946962 /nfs/dbraw/zinc/94/69/62/945946962.db2.gz GYIMREUATGVFIO-GFCCVEGCSA-N -1 3 388.407 0.426 20 0 GCADHM O=C(CN1CCCC1=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571286406 945946971 /nfs/dbraw/zinc/94/69/71/945946971.db2.gz GYIMREUATGVFIO-GFCCVEGCSA-N -1 3 388.407 0.426 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573462948 945947066 /nfs/dbraw/zinc/94/70/66/945947066.db2.gz PLDQFJKBRJYZAW-QMMMGPOBSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573462948 945947073 /nfs/dbraw/zinc/94/70/73/945947073.db2.gz PLDQFJKBRJYZAW-QMMMGPOBSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573462936 945947411 /nfs/dbraw/zinc/94/74/11/945947411.db2.gz PFAZLTRMDASEGW-CHWSQXEVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573462936 945947422 /nfs/dbraw/zinc/94/74/22/945947422.db2.gz PFAZLTRMDASEGW-CHWSQXEVSA-N -1 3 386.460 0.873 20 0 GCADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001571286517 945950793 /nfs/dbraw/zinc/95/07/93/945950793.db2.gz JTTZVBAOXZMEJE-RYUDHWBXSA-N -1 3 388.428 0.208 20 0 GCADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001571286517 945950796 /nfs/dbraw/zinc/95/07/96/945950796.db2.gz JTTZVBAOXZMEJE-RYUDHWBXSA-N -1 3 388.428 0.208 20 0 GCADHM COC(=O)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571286518 945950959 /nfs/dbraw/zinc/95/09/59/945950959.db2.gz JUHHFPUHDWLXFW-AWEZNQCLSA-N -1 3 388.409 0.797 20 0 GCADHM COC(=O)[C@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571286518 945950969 /nfs/dbraw/zinc/95/09/69/945950969.db2.gz JUHHFPUHDWLXFW-AWEZNQCLSA-N -1 3 388.409 0.797 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)[C@H]1C ZINC001573463185 945950880 /nfs/dbraw/zinc/95/08/80/945950880.db2.gz SJOIEGOIEOUVML-SMDDNHRTSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)[C@H]1C ZINC001573463185 945950889 /nfs/dbraw/zinc/95/08/89/945950889.db2.gz SJOIEGOIEOUVML-SMDDNHRTSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001573463182 945952305 /nfs/dbraw/zinc/95/23/05/945952305.db2.gz SJOIEGOIEOUVML-BXUZGUMPSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001573463182 945952311 /nfs/dbraw/zinc/95/23/11/945952311.db2.gz SJOIEGOIEOUVML-BXUZGUMPSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573463153 945952408 /nfs/dbraw/zinc/95/24/08/945952408.db2.gz ROAUHJQQEUOUTE-UHFFFAOYSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573463153 945952412 /nfs/dbraw/zinc/95/24/12/945952412.db2.gz ROAUHJQQEUOUTE-UHFFFAOYSA-N -1 3 386.460 0.570 20 0 GCADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCc1ccc(C)cn1 ZINC001571286626 945952661 /nfs/dbraw/zinc/95/26/61/945952661.db2.gz MXAYULOQDJRYFW-UHFFFAOYSA-N -1 3 388.409 0.835 20 0 GCADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCc1ccc(C)cn1 ZINC001571286626 945952667 /nfs/dbraw/zinc/95/26/67/945952667.db2.gz MXAYULOQDJRYFW-UHFFFAOYSA-N -1 3 388.409 0.835 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571286592 945953703 /nfs/dbraw/zinc/95/37/03/945953703.db2.gz LSSDLTWKDJICFH-PWSUYJOCSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571286592 945953708 /nfs/dbraw/zinc/95/37/08/945953708.db2.gz LSSDLTWKDJICFH-PWSUYJOCSA-N -1 3 388.407 0.012 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](CNc1nc(C)ccc1-c1nnn[n-]1)C1CC1 ZINC001573463306 945953706 /nfs/dbraw/zinc/95/37/06/945953706.db2.gz UNNXMTBTJGAEAQ-CQSZACIVSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](CNc1nc(C)ccc1-c1nn[n-]n1)C1CC1 ZINC001573463306 945953711 /nfs/dbraw/zinc/95/37/11/945953711.db2.gz UNNXMTBTJGAEAQ-CQSZACIVSA-N -1 3 386.460 0.792 20 0 GCADHM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001571286673 945955611 /nfs/dbraw/zinc/95/56/11/945955611.db2.gz OMLSHFOLZSYFNG-UHFFFAOYSA-N -1 3 388.413 0.147 20 0 GCADHM Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001571286673 945955614 /nfs/dbraw/zinc/95/56/14/945955614.db2.gz OMLSHFOLZSYFNG-UHFFFAOYSA-N -1 3 388.413 0.147 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573463552 945959015 /nfs/dbraw/zinc/95/90/15/945959015.db2.gz YLWZTXNUIIJFKS-CYBMUJFWSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573463552 945959019 /nfs/dbraw/zinc/95/90/19/945959019.db2.gz YLWZTXNUIIJFKS-CYBMUJFWSA-N -1 3 386.460 0.570 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC(NC(=O)c2csc(=O)[nH]2)C1 ZINC001571286801 945961097 /nfs/dbraw/zinc/96/10/97/945961097.db2.gz RUCDHBJOQXEOGK-UHFFFAOYSA-N -1 3 388.413 0.390 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1csc(=O)[nH]1 ZINC001571286886 945963301 /nfs/dbraw/zinc/96/33/01/945963301.db2.gz UPANHYGXVKVOEJ-MWLCHTKSSA-N -1 3 388.413 0.057 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573464246 945964942 /nfs/dbraw/zinc/96/49/42/945964942.db2.gz IGNAYSHPIKTVQN-VIFPVBQESA-N -1 3 378.412 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573464246 945964945 /nfs/dbraw/zinc/96/49/45/945964945.db2.gz IGNAYSHPIKTVQN-VIFPVBQESA-N -1 3 378.412 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573464557 945966325 /nfs/dbraw/zinc/96/63/25/945966325.db2.gz MFHLRXBEEFFXLE-UHFFFAOYSA-N -1 3 377.424 0.469 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001573464823 945968519 /nfs/dbraw/zinc/96/85/19/945968519.db2.gz POPICKABGNOUBV-LDYMZIIASA-N -1 3 392.489 0.487 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573464840 945969092 /nfs/dbraw/zinc/96/90/92/945969092.db2.gz QBYMRWOZIZROFZ-DGCLKSJQSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573464840 945969099 /nfs/dbraw/zinc/96/90/99/945969099.db2.gz QBYMRWOZIZROFZ-DGCLKSJQSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC/C=C/CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573465492 945974626 /nfs/dbraw/zinc/97/46/26/945974626.db2.gz ZERHBUGBWBBSGX-SNAWJCMRSA-N -1 3 376.396 0.400 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC/C=C/CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573465492 945974633 /nfs/dbraw/zinc/97/46/33/945974633.db2.gz ZERHBUGBWBBSGX-SNAWJCMRSA-N -1 3 376.396 0.400 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573468030 945989180 /nfs/dbraw/zinc/98/91/80/945989180.db2.gz KGANBXGZFRZCPS-RISCZKNCSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573468329 945993106 /nfs/dbraw/zinc/99/31/06/945993106.db2.gz MIDJTULBZQDQPI-SKDRFNHKSA-N -1 3 392.851 0.477 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573468329 945993111 /nfs/dbraw/zinc/99/31/11/945993111.db2.gz MIDJTULBZQDQPI-SKDRFNHKSA-N -1 3 392.851 0.477 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573468327 945993372 /nfs/dbraw/zinc/99/33/72/945993372.db2.gz MIDJTULBZQDQPI-CABZTGNLSA-N -1 3 392.851 0.477 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573468327 945993380 /nfs/dbraw/zinc/99/33/80/945993380.db2.gz MIDJTULBZQDQPI-CABZTGNLSA-N -1 3 392.851 0.477 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573468369 945993866 /nfs/dbraw/zinc/99/38/66/945993866.db2.gz NGPLIEQJXUZWHZ-RISCZKNCSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573468402 945995415 /nfs/dbraw/zinc/99/54/15/945995415.db2.gz NSBLIDFAHKSCCR-ZDUSSCGKSA-N -1 3 388.476 0.768 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(CCN(C)c1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573468402 945995421 /nfs/dbraw/zinc/99/54/21/945995421.db2.gz NSBLIDFAHKSCCR-ZDUSSCGKSA-N -1 3 388.476 0.768 20 0 GCADHM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)c3ncn(C)n3)C2)c1-c1nnn[n-]1 ZINC001571289477 946007326 /nfs/dbraw/zinc/00/73/26/946007326.db2.gz FPZATJFHSAHQFX-JTQLQIEISA-N -1 3 388.461 0.359 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573469705 946007782 /nfs/dbraw/zinc/00/77/82/946007782.db2.gz WWRFCAJEXNUJIY-NSHDSACASA-N -1 3 390.448 0.028 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573469705 946007784 /nfs/dbraw/zinc/00/77/84/946007784.db2.gz WWRFCAJEXNUJIY-NSHDSACASA-N -1 3 390.448 0.028 20 0 GCADHM C[C@H]1COCCN1CCN1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC001571289555 946009359 /nfs/dbraw/zinc/00/93/59/946009359.db2.gz HLILXABSOUPYGA-ZDUSSCGKSA-N -1 3 388.476 0.575 20 0 GCADHM C[C@H]1COCCN1CCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001571289555 946009368 /nfs/dbraw/zinc/00/93/68/946009368.db2.gz HLILXABSOUPYGA-ZDUSSCGKSA-N -1 3 388.476 0.575 20 0 GCADHM Cc1ccn(C)c1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@@H]1O ZINC001571289650 946012390 /nfs/dbraw/zinc/01/23/90/946012390.db2.gz JJXKTSUURQWULT-MNOVXSKESA-N -1 3 388.457 0.258 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573469940 946013083 /nfs/dbraw/zinc/01/30/83/946013083.db2.gz AFNZNFRPBSLJBK-SNVBAGLBSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573469926 946013434 /nfs/dbraw/zinc/01/34/34/946013434.db2.gz AENGOCUWJMJYJE-GXSJLCMTSA-N -1 3 378.462 0.193 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573469928 946015081 /nfs/dbraw/zinc/01/50/81/946015081.db2.gz AENGOCUWJMJYJE-KOLCDFICSA-N -1 3 378.462 0.193 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470044 946016913 /nfs/dbraw/zinc/01/69/13/946016913.db2.gz AWQWPFNJMAHBFR-CABZTGNLSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470044 946016926 /nfs/dbraw/zinc/01/69/26/946016926.db2.gz AWQWPFNJMAHBFR-CABZTGNLSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573470391 946021100 /nfs/dbraw/zinc/02/11/00/946021100.db2.gz DNINTATWFFCVRA-DOMZBBRYSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573470391 946021113 /nfs/dbraw/zinc/02/11/13/946021113.db2.gz DNINTATWFFCVRA-DOMZBBRYSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573470394 946021319 /nfs/dbraw/zinc/02/13/19/946021319.db2.gz DNINTATWFFCVRA-WFASDCNBSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573470394 946021326 /nfs/dbraw/zinc/02/13/26/946021326.db2.gz DNINTATWFFCVRA-WFASDCNBSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C(C)(C)C1 ZINC001573470330 946022365 /nfs/dbraw/zinc/02/23/65/946022365.db2.gz CVPWEKYGWDJIIW-ONGXEEELSA-N -1 3 392.489 0.805 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573470370 946022680 /nfs/dbraw/zinc/02/26/80/946022680.db2.gz DFICPLAASSAZKC-ZYHUDNBSSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573470477 946024200 /nfs/dbraw/zinc/02/42/00/946024200.db2.gz FQDNRMNWYYQXBN-GWCFXTLKSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573470477 946024210 /nfs/dbraw/zinc/02/42/10/946024210.db2.gz FQDNRMNWYYQXBN-GWCFXTLKSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001573470443 946025484 /nfs/dbraw/zinc/02/54/84/946025484.db2.gz FDYGOKZCUWINHJ-KCPJHIHWSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001573470443 946025493 /nfs/dbraw/zinc/02/54/93/946025493.db2.gz FDYGOKZCUWINHJ-KCPJHIHWSA-N -1 3 384.444 0.356 20 0 GCADHM Cc1nsc(N2CC[C@@H](NC(=O)c3cccn3C)[C@H](O)C2)c1-c1nnn[n-]1 ZINC001571290137 946031521 /nfs/dbraw/zinc/03/15/21/946031521.db2.gz VWYFQEXLSBPYIW-ZYHUDNBSSA-N -1 3 388.457 0.340 20 0 GCADHM CN(C)c1nc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ns1 ZINC001571290161 946032026 /nfs/dbraw/zinc/03/20/26/946032026.db2.gz WNOQBQBCHSCNGX-JTQLQIEISA-N -1 3 388.461 0.117 20 0 GCADHM CN(C)c1nc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ns1 ZINC001571290161 946032038 /nfs/dbraw/zinc/03/20/38/946032038.db2.gz WNOQBQBCHSCNGX-JTQLQIEISA-N -1 3 388.461 0.117 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573470716 946034309 /nfs/dbraw/zinc/03/43/09/946034309.db2.gz JKMQVOJOENLWKA-JTQLQIEISA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573470716 946034318 /nfs/dbraw/zinc/03/43/18/946034318.db2.gz JKMQVOJOENLWKA-JTQLQIEISA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573470730 946038085 /nfs/dbraw/zinc/03/80/85/946038085.db2.gz JNGXNCDNXJAOPM-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573470730 946038097 /nfs/dbraw/zinc/03/80/97/946038097.db2.gz JNGXNCDNXJAOPM-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573471010 946039740 /nfs/dbraw/zinc/03/97/40/946039740.db2.gz LRPWXXAMZFPRGB-GXTWGEPZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573471010 946039750 /nfs/dbraw/zinc/03/97/50/946039750.db2.gz LRPWXXAMZFPRGB-GXTWGEPZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC([C@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573470944 946039777 /nfs/dbraw/zinc/03/97/77/946039777.db2.gz LDPMGRIKWXAVER-RYUDHWBXSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC([C@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573470944 946039792 /nfs/dbraw/zinc/03/97/92/946039792.db2.gz LDPMGRIKWXAVER-RYUDHWBXSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571290453 946041205 /nfs/dbraw/zinc/04/12/05/946041205.db2.gz FLLWOYHDYJLAIR-PELKAZGASA-N -1 3 388.823 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571290453 946041217 /nfs/dbraw/zinc/04/12/17/946041217.db2.gz FLLWOYHDYJLAIR-PELKAZGASA-N -1 3 388.823 0.616 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573471092 946042593 /nfs/dbraw/zinc/04/25/93/946042593.db2.gz MAZXPBSAZXRTKF-XHDPSFHLSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573471092 946042602 /nfs/dbraw/zinc/04/26/02/946042602.db2.gz MAZXPBSAZXRTKF-XHDPSFHLSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573471115 946044308 /nfs/dbraw/zinc/04/43/08/946044308.db2.gz MGYYKCYJMQEAHZ-JTQLQIEISA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573471115 946044318 /nfs/dbraw/zinc/04/43/18/946044318.db2.gz MGYYKCYJMQEAHZ-JTQLQIEISA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573471342 946050135 /nfs/dbraw/zinc/05/01/35/946050135.db2.gz NYSAXSSGJWQIBF-MFKMUULPSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573471342 946050152 /nfs/dbraw/zinc/05/01/52/946050152.db2.gz NYSAXSSGJWQIBF-MFKMUULPSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471580 946053889 /nfs/dbraw/zinc/05/38/89/946053889.db2.gz PNMHKYHVWTVTNH-ZYHUDNBSSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471580 946053903 /nfs/dbraw/zinc/05/39/03/946053903.db2.gz PNMHKYHVWTVTNH-ZYHUDNBSSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573471787 946054957 /nfs/dbraw/zinc/05/49/57/946054957.db2.gz RAPUJMNLKVNFBN-SMDDNHRTSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573471787 946054971 /nfs/dbraw/zinc/05/49/71/946054971.db2.gz RAPUJMNLKVNFBN-SMDDNHRTSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573472123 946059296 /nfs/dbraw/zinc/05/92/96/946059296.db2.gz SOPZOLIUULKMRJ-LBPRGKRZSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573472123 946059310 /nfs/dbraw/zinc/05/93/10/946059310.db2.gz SOPZOLIUULKMRJ-LBPRGKRZSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(C)(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573472122 946059414 /nfs/dbraw/zinc/05/94/14/946059414.db2.gz SOPZOLIUULKMRJ-GFCCVEGCSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(C)(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573472122 946059425 /nfs/dbraw/zinc/05/94/25/946059425.db2.gz SOPZOLIUULKMRJ-GFCCVEGCSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573472177 946060593 /nfs/dbraw/zinc/06/05/93/946060593.db2.gz UHKFTIYJGXZHHS-JQWIXIFHSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573472177 946060605 /nfs/dbraw/zinc/06/06/05/946060605.db2.gz UHKFTIYJGXZHHS-JQWIXIFHSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573472166 946060994 /nfs/dbraw/zinc/06/09/94/946060994.db2.gz UEXZXGULNWUXKU-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573472166 946061006 /nfs/dbraw/zinc/06/10/06/946061006.db2.gz UEXZXGULNWUXKU-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573472204 946061954 /nfs/dbraw/zinc/06/19/54/946061954.db2.gz USNSUUPMUTZEJP-MWLCHTKSSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573472204 946061968 /nfs/dbraw/zinc/06/19/68/946061968.db2.gz USNSUUPMUTZEJP-MWLCHTKSSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001573472621 946066013 /nfs/dbraw/zinc/06/60/13/946066013.db2.gz WNZRTWCXRZFING-XFBWCDHKSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573472621 946066029 /nfs/dbraw/zinc/06/60/29/946066029.db2.gz WNZRTWCXRZFING-XFBWCDHKSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573472626 946067658 /nfs/dbraw/zinc/06/76/58/946067658.db2.gz WRSISQQMSFDBET-RTXFEEFZSA-N -1 3 387.419 0.710 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573472626 946067668 /nfs/dbraw/zinc/06/76/68/946067668.db2.gz WRSISQQMSFDBET-RTXFEEFZSA-N -1 3 387.419 0.710 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571291162 946068246 /nfs/dbraw/zinc/06/82/46/946068246.db2.gz FDHBMSIIYOARFC-SNVBAGLBSA-N -1 3 389.370 0.591 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571291162 946068252 /nfs/dbraw/zinc/06/82/52/946068252.db2.gz FDHBMSIIYOARFC-SNVBAGLBSA-N -1 3 389.370 0.591 20 0 GCADHM CS(C)(=O)=NC(=O)CNC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001571291102 946068678 /nfs/dbraw/zinc/06/86/78/946068678.db2.gz BCIFDQGRYIJPCR-UHFFFAOYSA-N -1 3 389.397 0.506 20 0 GCADHM CS(C)(=O)=NC(=O)CNC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001571291102 946068689 /nfs/dbraw/zinc/06/86/89/946068689.db2.gz BCIFDQGRYIJPCR-UHFFFAOYSA-N -1 3 389.397 0.506 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC(NC(=O)CC2OCCCO2)C1 ZINC001571291231 946071256 /nfs/dbraw/zinc/07/12/56/946071256.db2.gz GVARRBHCBKSUAV-UHFFFAOYSA-N -1 3 389.416 0.067 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC(NC(=O)CC2OCCCO2)C1 ZINC001571291231 946071272 /nfs/dbraw/zinc/07/12/72/946071272.db2.gz GVARRBHCBKSUAV-UHFFFAOYSA-N -1 3 389.416 0.067 20 0 GCADHM O=C(Cn1ccc(C(F)F)n1)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571291445 946078892 /nfs/dbraw/zinc/07/88/92/946078892.db2.gz KGSUDFZCRLLGJG-LLVKDONJSA-N -1 3 389.370 0.791 20 0 GCADHM O=C(Cn1ccc(C(F)F)n1)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571291445 946078901 /nfs/dbraw/zinc/07/89/01/946078901.db2.gz KGSUDFZCRLLGJG-LLVKDONJSA-N -1 3 389.370 0.791 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1COC(=O)N1 ZINC001571291804 946083033 /nfs/dbraw/zinc/08/30/33/946083033.db2.gz PQLGOCWJFIBABQ-FZMZJTMJSA-N -1 3 389.391 0.195 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@@H]1COC(=O)N1 ZINC001571291804 946083045 /nfs/dbraw/zinc/08/30/45/946083045.db2.gz PQLGOCWJFIBABQ-FZMZJTMJSA-N -1 3 389.391 0.195 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573473816 946083947 /nfs/dbraw/zinc/08/39/47/946083947.db2.gz FRWVPNYCKURGMP-MPKXVKKWSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573473816 946083960 /nfs/dbraw/zinc/08/39/60/946083960.db2.gz FRWVPNYCKURGMP-MPKXVKKWSA-N -1 3 386.460 0.601 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@]2(C)C[C@H](O)CN2C)cc1-c1nnn[n-]1 ZINC001571291973 946085020 /nfs/dbraw/zinc/08/50/20/946085020.db2.gz ROYHWAXJVFESCU-GTNSWQLSSA-N -1 3 389.416 0.829 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@]2(C)C[C@H](O)CN2C)cc1-c1nn[n-]n1 ZINC001571291973 946085027 /nfs/dbraw/zinc/08/50/27/946085027.db2.gz ROYHWAXJVFESCU-GTNSWQLSSA-N -1 3 389.416 0.829 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573474087 946085209 /nfs/dbraw/zinc/08/52/09/946085209.db2.gz IGEAMMLQLHWYFY-QWRGUYRKSA-N -1 3 389.435 0.467 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]21 ZINC001573473949 946085236 /nfs/dbraw/zinc/08/52/36/946085236.db2.gz HEIFIVRQSLLDQZ-OSAQELSMSA-N -1 3 384.444 0.132 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]21 ZINC001573473949 946085245 /nfs/dbraw/zinc/08/52/45/946085245.db2.gz HEIFIVRQSLLDQZ-OSAQELSMSA-N -1 3 384.444 0.132 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573474089 946085716 /nfs/dbraw/zinc/08/57/16/946085716.db2.gz IGLCYOYHITVZJU-GHMZBOCLSA-N -1 3 389.435 0.467 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)C1=CCS(=O)(=O)C1 ZINC001571291982 946088431 /nfs/dbraw/zinc/08/84/31/946088431.db2.gz RTFHSJSEXIJIQO-UHFFFAOYSA-N -1 3 389.372 0.485 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571292229 946088628 /nfs/dbraw/zinc/08/86/28/946088628.db2.gz VWHYZVMOWFKHKI-CABCVRRESA-N -1 3 389.366 0.448 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571292229 946088633 /nfs/dbraw/zinc/08/86/33/946088633.db2.gz VWHYZVMOWFKHKI-CABCVRRESA-N -1 3 389.366 0.448 20 0 GCADHM COC(=O)[C@]1(CNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC001571292135 946088707 /nfs/dbraw/zinc/08/87/07/946088707.db2.gz UGJIWXJNAMYPAX-SFHVURJKSA-N -1 3 389.412 0.720 20 0 GCADHM COC(=O)[C@]1(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001571292135 946088719 /nfs/dbraw/zinc/08/87/19/946088719.db2.gz UGJIWXJNAMYPAX-SFHVURJKSA-N -1 3 389.412 0.720 20 0 GCADHM COC(=O)[C@@]1(CNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC001571292134 946090479 /nfs/dbraw/zinc/09/04/79/946090479.db2.gz UGJIWXJNAMYPAX-GOSISDBHSA-N -1 3 389.412 0.720 20 0 GCADHM COC(=O)[C@@]1(CNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001571292134 946090491 /nfs/dbraw/zinc/09/04/91/946090491.db2.gz UGJIWXJNAMYPAX-GOSISDBHSA-N -1 3 389.412 0.720 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571292245 946092319 /nfs/dbraw/zinc/09/23/19/946092319.db2.gz WJWRYYNVYGUPJX-MNOVXSKESA-N -1 3 389.416 0.067 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571292245 946092332 /nfs/dbraw/zinc/09/23/32/946092332.db2.gz WJWRYYNVYGUPJX-MNOVXSKESA-N -1 3 389.416 0.067 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2=COCCO2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571292372 946093230 /nfs/dbraw/zinc/09/32/30/946093230.db2.gz YPHAGUDDONGPHV-GXFFZTMASA-N -1 3 389.391 0.763 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2=COCCO2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571292372 946093236 /nfs/dbraw/zinc/09/32/36/946093236.db2.gz YPHAGUDDONGPHV-GXFFZTMASA-N -1 3 389.391 0.763 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001571293112 946095788 /nfs/dbraw/zinc/09/57/88/946095788.db2.gz ABPKTWRVTAAHNB-GZBFAFLISA-N -1 3 389.460 0.880 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001571293112 946095800 /nfs/dbraw/zinc/09/58/00/946095800.db2.gz ABPKTWRVTAAHNB-GZBFAFLISA-N -1 3 389.460 0.880 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822466926 946097539 /nfs/dbraw/zinc/09/75/39/946097539.db2.gz FWLLZPILYTZNFU-UHFFFAOYSA-N -1 3 378.400 0.993 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822466926 946097548 /nfs/dbraw/zinc/09/75/48/946097548.db2.gz FWLLZPILYTZNFU-UHFFFAOYSA-N -1 3 378.400 0.993 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573474922 946098641 /nfs/dbraw/zinc/09/86/41/946098641.db2.gz ORUKZXODFOTABJ-QWRGUYRKSA-N -1 3 389.435 0.467 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2O)co1 ZINC001571293200 946099562 /nfs/dbraw/zinc/09/95/62/946099562.db2.gz BBXUXPRFASJROL-NEPJUHHUSA-N -1 3 389.441 0.903 20 0 GCADHM CN(C)S(=O)(=O)C1(CNC(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)CC1 ZINC001571293252 946099583 /nfs/dbraw/zinc/09/95/83/946099583.db2.gz CFZWKIGCIPOAMY-UHFFFAOYSA-N -1 3 389.441 0.502 20 0 GCADHM CN(C)S(=O)(=O)C1(CNC(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)CC1 ZINC001571293252 946099594 /nfs/dbraw/zinc/09/95/94/946099594.db2.gz CFZWKIGCIPOAMY-UHFFFAOYSA-N -1 3 389.441 0.502 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](Nc3snc(C)c3-c3nnn[n-]3)C2)o1 ZINC001571293260 946100652 /nfs/dbraw/zinc/10/06/52/946100652.db2.gz CRZDXMBCADFZBU-GMSGAONNSA-N -1 3 389.445 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573475400 946100808 /nfs/dbraw/zinc/10/08/08/946100808.db2.gz SYPDZDGJRKLRNJ-MBNYWOFBSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573475400 946100816 /nfs/dbraw/zinc/10/08/16/946100816.db2.gz SYPDZDGJRKLRNJ-MBNYWOFBSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573475630 946101816 /nfs/dbraw/zinc/10/18/16/946101816.db2.gz WLWOKHIPWGXKBQ-LALPHHSUSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573475630 946101822 /nfs/dbraw/zinc/10/18/22/946101822.db2.gz WLWOKHIPWGXKBQ-LALPHHSUSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573475595 946102716 /nfs/dbraw/zinc/10/27/16/946102716.db2.gz WCHIYJIISWHUPH-MPKXVKKWSA-N -1 3 389.485 0.486 20 0 GCADHM Cc1c[nH]c(C(=O)NC[C@H]2CN(c3snc(C)c3-c3nnn[n-]3)CCO2)n1 ZINC001571293356 946103901 /nfs/dbraw/zinc/10/39/01/946103901.db2.gz GFOGQJXTKMJTKZ-JTQLQIEISA-N -1 3 389.445 0.298 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573475755 946104803 /nfs/dbraw/zinc/10/48/03/946104803.db2.gz ALHZAPTUZJPACY-FZMZJTMJSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573475755 946104808 /nfs/dbraw/zinc/10/48/08/946104808.db2.gz ALHZAPTUZJPACY-FZMZJTMJSA-N -1 3 386.460 0.507 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001571293453 946105053 /nfs/dbraw/zinc/10/50/53/946105053.db2.gz IVDAPJLIDIEUGP-BPLDGKMQSA-N -1 3 389.435 0.156 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001571293454 946105567 /nfs/dbraw/zinc/10/55/67/946105567.db2.gz IVDAPJLIDIEUGP-VHDGCEQUSA-N -1 3 389.435 0.156 20 0 GCADHM O=C(CN1CCOCC1)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571293502 946108862 /nfs/dbraw/zinc/10/88/62/946108862.db2.gz JYFVHOQDNFRRLT-CYBMUJFWSA-N -1 3 389.435 0.741 20 0 GCADHM O=C(CN1CCOCC1)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571293502 946108873 /nfs/dbraw/zinc/10/88/73/946108873.db2.gz JYFVHOQDNFRRLT-CYBMUJFWSA-N -1 3 389.435 0.741 20 0 GCADHM Cc1nsc(NC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCCO2)n1 ZINC001571293589 946110968 /nfs/dbraw/zinc/11/09/68/946110968.db2.gz LZSDMJOTPFJFKT-JTQLQIEISA-N -1 3 389.445 0.698 20 0 GCADHM Cc1nsc(NC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCCO2)n1 ZINC001571293589 946110972 /nfs/dbraw/zinc/11/09/72/946110972.db2.gz LZSDMJOTPFJFKT-JTQLQIEISA-N -1 3 389.445 0.698 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@](C)(CNc1nc(C)ccc1-c1nnn[n-]1)C1CC1 ZINC001573476051 946112466 /nfs/dbraw/zinc/11/24/66/946112466.db2.gz YFIKVAIEVBAPBA-ZMZPIMSZSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@](C)(CNc1nc(C)ccc1-c1nn[n-]n1)C1CC1 ZINC001573476051 946112470 /nfs/dbraw/zinc/11/24/70/946112470.db2.gz YFIKVAIEVBAPBA-ZMZPIMSZSA-N -1 3 386.460 0.792 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)C1 ZINC001571293677 946113870 /nfs/dbraw/zinc/11/38/70/946113870.db2.gz OZMQTPVTPBUPHF-JTQLQIEISA-N -1 3 389.441 0.489 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)C1 ZINC001571293677 946113877 /nfs/dbraw/zinc/11/38/77/946113877.db2.gz OZMQTPVTPBUPHF-JTQLQIEISA-N -1 3 389.441 0.489 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001573476206 946115642 /nfs/dbraw/zinc/11/56/42/946115642.db2.gz DQNYQILMPDUFTC-ZANVPECISA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001573476206 946115647 /nfs/dbraw/zinc/11/56/47/946115647.db2.gz DQNYQILMPDUFTC-ZANVPECISA-N -1 3 392.439 0.868 20 0 GCADHM Cc1nsc(N2CCCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000822531362 946116124 /nfs/dbraw/zinc/11/61/24/946116124.db2.gz YVBHPCGDVQECNA-CQSZACIVSA-N -1 3 399.484 0.765 20 0 GCADHM Cc1nsc(N2CCCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822531362 946116130 /nfs/dbraw/zinc/11/61/30/946116130.db2.gz YVBHPCGDVQECNA-CQSZACIVSA-N -1 3 399.484 0.765 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573476463 946117532 /nfs/dbraw/zinc/11/75/32/946117532.db2.gz HDDWKFBLHMAWKG-ALXWSUNGSA-N -1 3 390.423 0.765 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573476463 946117541 /nfs/dbraw/zinc/11/75/41/946117541.db2.gz HDDWKFBLHMAWKG-ALXWSUNGSA-N -1 3 390.423 0.765 20 0 GCADHM CO[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1NC(=O)CN1CCCC1 ZINC001571293878 946118616 /nfs/dbraw/zinc/11/86/16/946118616.db2.gz USMUYOMPUQSRHR-UKRRQHHQSA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573476555 946122021 /nfs/dbraw/zinc/12/20/21/946122021.db2.gz HYDKECQWZDMXJN-ABAIWWIYSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573476555 946122030 /nfs/dbraw/zinc/12/20/30/946122030.db2.gz HYDKECQWZDMXJN-ABAIWWIYSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573476686 946122917 /nfs/dbraw/zinc/12/29/17/946122917.db2.gz IVVSEFQEHLLHOU-XXFAHNHDSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573476686 946122922 /nfs/dbraw/zinc/12/29/22/946122922.db2.gz IVVSEFQEHLLHOU-XXFAHNHDSA-N -1 3 376.396 0.010 20 0 GCADHM O=C(NC[C@@H]1COCCN1CC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571294041 946123305 /nfs/dbraw/zinc/12/33/05/946123305.db2.gz YTMXVRSFVWQDFM-ZIAGYGMSSA-N -1 3 389.460 0.585 20 0 GCADHM O=C(NC[C@@H]1COCCN1CC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571294041 946123309 /nfs/dbraw/zinc/12/33/09/946123309.db2.gz YTMXVRSFVWQDFM-ZIAGYGMSSA-N -1 3 389.460 0.585 20 0 GCADHM Cc1nsc(N(C)[C@H]2CCN(C(=O)c3c[nH]c(=O)n3C)C2)c1-c1nnn[n-]1 ZINC001571294071 946125449 /nfs/dbraw/zinc/12/54/49/946125449.db2.gz ZNIDHYBSFMBYBR-VIFPVBQESA-N -1 3 389.445 0.422 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573476885 946126384 /nfs/dbraw/zinc/12/63/84/946126384.db2.gz KOHGOYNVKXUMLM-XPTSAGLGSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573476885 946126389 /nfs/dbraw/zinc/12/63/89/946126389.db2.gz KOHGOYNVKXUMLM-XPTSAGLGSA-N -1 3 375.408 0.837 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294142 946128090 /nfs/dbraw/zinc/12/80/90/946128090.db2.gz BPJNBDNSNOJPND-DGCLKSJQSA-N -1 3 389.485 0.630 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573476935 946128146 /nfs/dbraw/zinc/12/81/46/946128146.db2.gz LNFWADHTOJSOHG-QWRGUYRKSA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573476935 946128150 /nfs/dbraw/zinc/12/81/50/946128150.db2.gz LNFWADHTOJSOHG-QWRGUYRKSA-N -1 3 377.424 0.467 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(c2cc(Cl)c(=O)[nH]n2)C1 ZINC001571294137 946128350 /nfs/dbraw/zinc/12/83/50/946128350.db2.gz BNUKJNFKIBKZLX-SECBINFHSA-N -1 3 389.807 0.695 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(c2cc(Cl)c(=O)[nH]n2)C1 ZINC001571294137 946128353 /nfs/dbraw/zinc/12/83/53/946128353.db2.gz BNUKJNFKIBKZLX-SECBINFHSA-N -1 3 389.807 0.695 20 0 GCADHM CO[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571294164 946128439 /nfs/dbraw/zinc/12/84/39/946128439.db2.gz BVAFPPCOZAIYEQ-KSSYENDESA-N -1 3 389.485 0.998 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573477132 946129846 /nfs/dbraw/zinc/12/98/46/946129846.db2.gz NGZWMABPORUASK-FZMZJTMJSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573477132 946129851 /nfs/dbraw/zinc/12/98/51/946129851.db2.gz NGZWMABPORUASK-FZMZJTMJSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573477263 946132915 /nfs/dbraw/zinc/13/29/15/946132915.db2.gz NMSAXBAPUSEBNJ-DJCROIMJSA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573477263 946132918 /nfs/dbraw/zinc/13/29/18/946132918.db2.gz NMSAXBAPUSEBNJ-DJCROIMJSA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573477345 946134566 /nfs/dbraw/zinc/13/45/66/946134566.db2.gz OVZURBFRMMQLDQ-NHYWBVRUSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573477345 946134572 /nfs/dbraw/zinc/13/45/72/946134572.db2.gz OVZURBFRMMQLDQ-NHYWBVRUSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573477353 946134607 /nfs/dbraw/zinc/13/46/07/946134607.db2.gz PCTSVQVBZDHRET-GXSJLCMTSA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CC1(C)C ZINC001573477455 946137010 /nfs/dbraw/zinc/13/70/10/946137010.db2.gz QYCCWWGOVYAGBK-HZMBPMFUSA-N -1 3 391.501 0.779 20 0 GCADHM O=C(N[C@H]1CCCN(CCn2cc(Cl)cn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571294540 946138978 /nfs/dbraw/zinc/13/89/78/946138978.db2.gz ITQORQREBANDCN-LBPRGKRZSA-N -1 3 389.851 0.939 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CCC(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573477513 946139021 /nfs/dbraw/zinc/13/90/21/946139021.db2.gz RLCBICQCHVXZRY-GCVQQVDUSA-N -1 3 392.489 0.996 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573477576 946139246 /nfs/dbraw/zinc/13/92/46/946139246.db2.gz SCFUWARDELDGMG-SNVBAGLBSA-N -1 3 392.489 0.631 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CC(CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573477627 946140813 /nfs/dbraw/zinc/14/08/13/946140813.db2.gz SZQMMWWDSCNZPF-GCVQQVDUSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CC(CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573477627 946140822 /nfs/dbraw/zinc/14/08/22/946140822.db2.gz SZQMMWWDSCNZPF-GCVQQVDUSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573477607 946141201 /nfs/dbraw/zinc/14/12/01/946141201.db2.gz SQWGYAZFBFPGOF-ABAIWWIYSA-N -1 3 389.435 0.611 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000822631891 946142504 /nfs/dbraw/zinc/14/25/04/946142504.db2.gz LHHSHOITAOGPGS-UHFFFAOYSA-N -1 3 380.412 0.267 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000822631891 946142509 /nfs/dbraw/zinc/14/25/09/946142509.db2.gz LHHSHOITAOGPGS-UHFFFAOYSA-N -1 3 380.412 0.267 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(c2snc(C)c2-c2nnn[n-]2)CC1(C)C ZINC001573478255 946145068 /nfs/dbraw/zinc/14/50/68/946145068.db2.gz WEHHVWMBFLBEBX-ONGXEEELSA-N -1 3 392.489 0.487 20 0 GCADHM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294944 946149806 /nfs/dbraw/zinc/14/98/06/946149806.db2.gz MRCPSWYBXXQADG-MNOVXSKESA-N -1 3 389.485 0.472 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@H]1N(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573478778 946150252 /nfs/dbraw/zinc/15/02/52/946150252.db2.gz YPZIMTWLFRUUMG-YRILPIOLSA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@H]1N(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573478778 946150264 /nfs/dbraw/zinc/15/02/64/946150264.db2.gz YPZIMTWLFRUUMG-YRILPIOLSA-N -1 3 384.444 0.404 20 0 GCADHM O=C(N[C@H]1CCN(c2cncc(Cl)n2)C[C@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571294963 946150783 /nfs/dbraw/zinc/15/07/83/946150783.db2.gz RCAYOCMTUMUCSN-GXSJLCMTSA-N -1 3 389.807 0.008 20 0 GCADHM O=C(N[C@H]1CCN(c2cncc(Cl)n2)C[C@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571294963 946150789 /nfs/dbraw/zinc/15/07/89/946150789.db2.gz RCAYOCMTUMUCSN-GXSJLCMTSA-N -1 3 389.807 0.008 20 0 GCADHM O=C(N[C@@H]1CCN(c2cncc(Cl)n2)C[C@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571294966 946150802 /nfs/dbraw/zinc/15/08/02/946150802.db2.gz RCAYOCMTUMUCSN-MWLCHTKSSA-N -1 3 389.807 0.008 20 0 GCADHM O=C(N[C@@H]1CCN(c2cncc(Cl)n2)C[C@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571294966 946150810 /nfs/dbraw/zinc/15/08/10/946150810.db2.gz RCAYOCMTUMUCSN-MWLCHTKSSA-N -1 3 389.807 0.008 20 0 GCADHM O=C(Cn1ncnn1)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571295116 946154166 /nfs/dbraw/zinc/15/41/66/946154166.db2.gz TWCDOUSVAMKXBL-SNVBAGLBSA-N -1 3 389.811 0.005 20 0 GCADHM O=C(Cn1ncnn1)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571295116 946154171 /nfs/dbraw/zinc/15/41/71/946154171.db2.gz TWCDOUSVAMKXBL-SNVBAGLBSA-N -1 3 389.811 0.005 20 0 GCADHM Cn1cccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1=O ZINC000822690208 946158478 /nfs/dbraw/zinc/15/84/78/946158478.db2.gz VQSVTNZBNIAIDO-UHFFFAOYSA-N -1 3 395.423 0.779 20 0 GCADHM Cn1cc(N2CCN([C@H]3CCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CC2)cn1 ZINC000822685442 946158600 /nfs/dbraw/zinc/15/86/00/946158600.db2.gz ZYDAKQKDMIYQRH-KRWDZBQOSA-N -1 3 393.455 0.528 20 0 GCADHM Cn1ncc2cc(C(=O)N3CCN(c4cc(-c5nnn[n-]5)ccn4)CC3)cnc21 ZINC000822709531 946162661 /nfs/dbraw/zinc/16/26/61/946162661.db2.gz NBGDNBXXAADTJR-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM Cn1ncc2cc(C(=O)N3CCN(c4cc(-c5nn[n-]n5)ccn4)CC3)cnc21 ZINC000822709531 946162671 /nfs/dbraw/zinc/16/26/71/946162671.db2.gz NBGDNBXXAADTJR-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM Cc1[nH]nc(Cl)c1C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571295439 946164192 /nfs/dbraw/zinc/16/41/92/946164192.db2.gz SYMOJDYPKUSSGA-DTORHVGOSA-N -1 3 389.807 0.571 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573480287 946173224 /nfs/dbraw/zinc/17/32/24/946173224.db2.gz KIJSKUIGQSLGFK-GXFFZTMASA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573480287 946173228 /nfs/dbraw/zinc/17/32/28/946173228.db2.gz KIJSKUIGQSLGFK-GXFFZTMASA-N -1 3 375.408 0.221 20 0 GCADHM CO[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1NC(=O)c1ccns1 ZINC001571296026 946181253 /nfs/dbraw/zinc/18/12/53/946181253.db2.gz MFHXSNBELDBHSH-GHMZBOCLSA-N -1 3 390.404 0.491 20 0 GCADHM CO[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1NC(=O)c1ccns1 ZINC001571296026 946181260 /nfs/dbraw/zinc/18/12/60/946181260.db2.gz MFHXSNBELDBHSH-GHMZBOCLSA-N -1 3 390.404 0.491 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573481403 946181993 /nfs/dbraw/zinc/18/19/93/946181993.db2.gz PJYWZQCLFVEVPU-MFKMUULPSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573481403 946181998 /nfs/dbraw/zinc/18/19/98/946181998.db2.gz PJYWZQCLFVEVPU-MFKMUULPSA-N -1 3 390.423 0.401 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(c2nnc(N)o2)CC1 ZINC001571296012 946182037 /nfs/dbraw/zinc/18/20/37/946182037.db2.gz MBCZZNALQOHEPI-UHFFFAOYSA-N -1 3 390.429 0.709 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(c2nnc(N)o2)CC1 ZINC001571296012 946182042 /nfs/dbraw/zinc/18/20/42/946182042.db2.gz MBCZZNALQOHEPI-UHFFFAOYSA-N -1 3 390.429 0.709 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573481402 946182122 /nfs/dbraw/zinc/18/21/22/946182122.db2.gz PJYWZQCLFVEVPU-GXFFZTMASA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573481402 946182125 /nfs/dbraw/zinc/18/21/25/946182125.db2.gz PJYWZQCLFVEVPU-GXFFZTMASA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1=CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573481664 946184652 /nfs/dbraw/zinc/18/46/52/946184652.db2.gz QRYVNUNJNCYGQY-NSHDSACASA-N -1 3 387.419 0.783 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1=CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573481664 946184658 /nfs/dbraw/zinc/18/46/58/946184658.db2.gz QRYVNUNJNCYGQY-NSHDSACASA-N -1 3 387.419 0.783 20 0 GCADHM O=S(=O)(Cc1ccno1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571296171 946187246 /nfs/dbraw/zinc/18/72/46/946187246.db2.gz PPAJMIKNZILWEC-UHFFFAOYSA-N -1 3 390.429 0.338 20 0 GCADHM O=S(=O)(Cc1ccno1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571296171 946187255 /nfs/dbraw/zinc/18/72/55/946187255.db2.gz PPAJMIKNZILWEC-UHFFFAOYSA-N -1 3 390.429 0.338 20 0 GCADHM Cc1noc(C[C@@H]2CCCN(S(=O)(=O)c3cncc(-c4nnn[n-]4)c3)C2)n1 ZINC001571296224 946189952 /nfs/dbraw/zinc/18/99/52/946189952.db2.gz RENUOIVRIHZXAS-NSHDSACASA-N -1 3 390.429 0.597 20 0 GCADHM Cc1noc(C[C@@H]2CCCN(S(=O)(=O)c3cncc(-c4nn[n-]n4)c3)C2)n1 ZINC001571296224 946189956 /nfs/dbraw/zinc/18/99/56/946189956.db2.gz RENUOIVRIHZXAS-NSHDSACASA-N -1 3 390.429 0.597 20 0 GCADHM CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001571296361 946192392 /nfs/dbraw/zinc/19/23/92/946192392.db2.gz VSJPOUBXXYZKEP-UHFFFAOYSA-N -1 3 390.400 0.925 20 0 GCADHM CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001571296361 946192400 /nfs/dbraw/zinc/19/24/00/946192400.db2.gz VSJPOUBXXYZKEP-UHFFFAOYSA-N -1 3 390.400 0.925 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001571296307 946192468 /nfs/dbraw/zinc/19/24/68/946192468.db2.gz UKBZOUOSHAUUAG-INIZCTEOSA-N -1 3 390.419 0.456 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001571296307 946192474 /nfs/dbraw/zinc/19/24/74/946192474.db2.gz UKBZOUOSHAUUAG-INIZCTEOSA-N -1 3 390.419 0.456 20 0 GCADHM C[C@@]1(NC(=O)[C@@H]2COCCO2)CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571296440 946193638 /nfs/dbraw/zinc/19/36/38/946193638.db2.gz YEPJCKVCHISWSZ-MAUKXSAKSA-N -1 3 390.419 0.502 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573482301 946194556 /nfs/dbraw/zinc/19/45/56/946194556.db2.gz WHLWGCDXZZUBLK-GXTWGEPZSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573482301 946194565 /nfs/dbraw/zinc/19/45/65/946194565.db2.gz WHLWGCDXZZUBLK-GXTWGEPZSA-N -1 3 386.460 0.427 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC001571296376 946194656 /nfs/dbraw/zinc/19/46/56/946194656.db2.gz WJZASZPXWBPPLR-UHFFFAOYSA-N -1 3 390.400 0.925 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC001571296376 946194662 /nfs/dbraw/zinc/19/46/62/946194662.db2.gz WJZASZPXWBPPLR-UHFFFAOYSA-N -1 3 390.400 0.925 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571297829 946198920 /nfs/dbraw/zinc/19/89/20/946198920.db2.gz ANEDVDJWXBCHTF-PBOSXPJTSA-N -1 3 390.469 0.138 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H](Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573482583 946199388 /nfs/dbraw/zinc/19/93/88/946199388.db2.gz YJBRULVTSWTFDP-KOLCDFICSA-N -1 3 380.478 0.709 20 0 GCADHM CCCN(C)S(=O)(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001571297841 946199328 /nfs/dbraw/zinc/19/93/28/946199328.db2.gz BDLQTTCVGTVLIF-UHFFFAOYSA-N -1 3 390.473 0.943 20 0 GCADHM CCCN(C)S(=O)(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001571297841 946199333 /nfs/dbraw/zinc/19/93/33/946199333.db2.gz BDLQTTCVGTVLIF-UHFFFAOYSA-N -1 3 390.473 0.943 20 0 GCADHM O=C(CN1CCc2ccccc21)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571297941 946200932 /nfs/dbraw/zinc/20/09/32/946200932.db2.gz FBCFUALTMDJQHJ-UHFFFAOYSA-N -1 3 390.451 0.973 20 0 GCADHM O=C(CN1CCc2ccccc21)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571297941 946200941 /nfs/dbraw/zinc/20/09/41/946200941.db2.gz FBCFUALTMDJQHJ-UHFFFAOYSA-N -1 3 390.451 0.973 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573482676 946201730 /nfs/dbraw/zinc/20/17/30/946201730.db2.gz ZTQLLJYXMCCZQZ-BDAKNGLRSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573482676 946201739 /nfs/dbraw/zinc/20/17/39/946201739.db2.gz ZTQLLJYXMCCZQZ-BDAKNGLRSA-N -1 3 380.840 0.746 20 0 GCADHM Cc1nsc(N[C@@H]2CN(C(=O)C[C@@H]3CCNC3=O)C[C@H]2C)c1-c1nnn[n-]1 ZINC001571297925 946202510 /nfs/dbraw/zinc/20/25/10/946202510.db2.gz DNCQRXTVPGGRCV-DVVUODLYSA-N -1 3 390.473 0.417 20 0 GCADHM Cc1nsc(N2CC[C@](C)(NC(=O)[C@H]3CCNC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571298023 946203055 /nfs/dbraw/zinc/20/30/55/946203055.db2.gz HKKABUWSQFKTKA-QFYYESIMSA-N -1 3 390.473 0.243 20 0 GCADHM NC(=O)C1(NCC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCCC1 ZINC000822860007 946203994 /nfs/dbraw/zinc/20/39/94/946203994.db2.gz LJZZTOGGZVNYNI-UHFFFAOYSA-N -1 3 395.427 0.379 20 0 GCADHM NC(=O)C1(NCC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CCCC1 ZINC000822860007 946204002 /nfs/dbraw/zinc/20/40/02/946204002.db2.gz LJZZTOGGZVNYNI-UHFFFAOYSA-N -1 3 395.427 0.379 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822864559 946206085 /nfs/dbraw/zinc/20/60/85/946206085.db2.gz DCOKENXBEZIGIR-CZUORRHYSA-N -1 3 383.456 0.950 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573483248 946206350 /nfs/dbraw/zinc/20/63/50/946206350.db2.gz CQLRYHSXBPUYGY-ZMLRMANQSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573483248 946206359 /nfs/dbraw/zinc/20/63/59/946206359.db2.gz CQLRYHSXBPUYGY-ZMLRMANQSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573483302 946206678 /nfs/dbraw/zinc/20/66/78/946206678.db2.gz DBFPAZUAKAXWDY-YPMHNXCESA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573483302 946206683 /nfs/dbraw/zinc/20/66/83/946206683.db2.gz DBFPAZUAKAXWDY-YPMHNXCESA-N -1 3 389.435 0.863 20 0 GCADHM Cc1nsc(N[C@H]2CCN(C(=O)CN3CCCC3=O)[C@H]2C)c1-c1nnn[n-]1 ZINC001571298211 946208047 /nfs/dbraw/zinc/20/80/47/946208047.db2.gz JTAWOEMJYBQLPW-QWRGUYRKSA-N -1 3 390.473 0.655 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573483365 946209571 /nfs/dbraw/zinc/20/95/71/946209571.db2.gz FCFASVKXLFBCRR-JQWIXIFHSA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1(CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573483381 946209752 /nfs/dbraw/zinc/20/97/52/946209752.db2.gz FLDMTTJCAPAIAC-SNVBAGLBSA-N -1 3 392.489 0.855 20 0 GCADHM Nc1ncnc2c1ncn2CC(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822907578 946216547 /nfs/dbraw/zinc/21/65/47/946216547.db2.gz UFAKFAAOFAECAC-UHFFFAOYSA-N -1 3 395.383 0.601 20 0 GCADHM Nc1ncnc2c1ncn2CC(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822907578 946216555 /nfs/dbraw/zinc/21/65/55/946216555.db2.gz UFAKFAAOFAECAC-UHFFFAOYSA-N -1 3 395.383 0.601 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573484608 946217241 /nfs/dbraw/zinc/21/72/41/946217241.db2.gz MXZFLHVVYQWVJH-ZMLRMANQSA-N -1 3 392.489 0.853 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000822929444 946222489 /nfs/dbraw/zinc/22/24/89/946222489.db2.gz UNPGROKCQMHKRG-JFDDCEBESA-N -1 3 382.424 0.776 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000822929444 946222493 /nfs/dbraw/zinc/22/24/93/946222493.db2.gz UNPGROKCQMHKRG-JFDDCEBESA-N -1 3 382.424 0.776 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1F ZINC001573485014 946223796 /nfs/dbraw/zinc/22/37/96/946223796.db2.gz PENNRKMRLZMRIH-RHBIEUIISA-N -1 3 388.407 0.151 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1F ZINC001573485014 946223808 /nfs/dbraw/zinc/22/38/08/946223808.db2.gz PENNRKMRLZMRIH-RHBIEUIISA-N -1 3 388.407 0.151 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)c2cc(Cl)no2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571298670 946224666 /nfs/dbraw/zinc/22/46/66/946224666.db2.gz CDDIZVAAWBHGLS-XWEPSHTISA-N -1 3 390.791 0.775 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)c2cc(Cl)no2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571298670 946224676 /nfs/dbraw/zinc/22/46/76/946224676.db2.gz CDDIZVAAWBHGLS-XWEPSHTISA-N -1 3 390.791 0.775 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1C ZINC001573485023 946225051 /nfs/dbraw/zinc/22/50/51/946225051.db2.gz PIUCZUKPAWOXRK-JRKPZEMJSA-N -1 3 392.851 0.381 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1C ZINC001573485023 946225064 /nfs/dbraw/zinc/22/50/64/946225064.db2.gz PIUCZUKPAWOXRK-JRKPZEMJSA-N -1 3 392.851 0.381 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571298730 946226504 /nfs/dbraw/zinc/22/65/04/946226504.db2.gz CLQMESIFXCYPOW-SNVBAGLBSA-N -1 3 390.835 0.090 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571298730 946226515 /nfs/dbraw/zinc/22/65/15/946226515.db2.gz CLQMESIFXCYPOW-SNVBAGLBSA-N -1 3 390.835 0.090 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCN(Cc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC001573485406 946227750 /nfs/dbraw/zinc/22/77/50/946227750.db2.gz SHYYRRFNPIFYAN-LLVKDONJSA-N -1 3 389.435 0.611 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@H]1CCCS1(=O)=O ZINC001571298716 946227921 /nfs/dbraw/zinc/22/79/21/946227921.db2.gz PTZFLXVPNURTHG-HUUCEWRRSA-N -1 3 390.469 0.134 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@H]1CCCS1(=O)=O ZINC001571298716 946227930 /nfs/dbraw/zinc/22/79/30/946227930.db2.gz PTZFLXVPNURTHG-HUUCEWRRSA-N -1 3 390.469 0.134 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)[C@H]3CCCC(=O)N3C)C2)c1-c1nnn[n-]1 ZINC001571299165 946240378 /nfs/dbraw/zinc/24/03/78/946240378.db2.gz URXDCQULWXRRMM-GHMZBOCLSA-N -1 3 390.473 0.655 20 0 GCADHM NC(=O)Cn1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2Br)n1 ZINC001571299175 946240694 /nfs/dbraw/zinc/24/06/94/946240694.db2.gz JLGBQRRWAOTTLQ-UHFFFAOYSA-N -1 3 391.189 0.563 20 0 GCADHM NC(=O)Cn1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2Br)n1 ZINC001571299175 946240704 /nfs/dbraw/zinc/24/07/04/946240704.db2.gz JLGBQRRWAOTTLQ-UHFFFAOYSA-N -1 3 391.189 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573486401 946241795 /nfs/dbraw/zinc/24/17/95/946241795.db2.gz FUWUIRJHNMRSOE-HZMBPMFUSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573486623 946242450 /nfs/dbraw/zinc/24/24/50/946242450.db2.gz HTAULHUAEIJRQK-UBHSHLNASA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573486623 946242462 /nfs/dbraw/zinc/24/24/62/946242462.db2.gz HTAULHUAEIJRQK-UBHSHLNASA-N -1 3 386.460 0.934 20 0 GCADHM Cc1nsc(N2CC[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571299285 946245928 /nfs/dbraw/zinc/24/59/28/946245928.db2.gz VKPGLIZHFOIJLE-WDEREUQCSA-N -1 3 390.473 0.100 20 0 GCADHM O=C([C@@H]1COCCO1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571299307 946246249 /nfs/dbraw/zinc/24/62/49/946246249.db2.gz VZCKLMPXGJQGSJ-SCRDCRAPSA-N -1 3 390.469 0.519 20 0 GCADHM O=C([C@@H]1COCCO1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[n-]n2)s1 ZINC001571299307 946246257 /nfs/dbraw/zinc/24/62/57/946246257.db2.gz VZCKLMPXGJQGSJ-SCRDCRAPSA-N -1 3 390.469 0.519 20 0 GCADHM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001573487419 946252731 /nfs/dbraw/zinc/25/27/31/946252731.db2.gz NUHPNFYIKXWMQL-OAHLLOKOSA-N -1 3 388.476 0.755 20 0 GCADHM CC(=O)N[C@H](CCC(C)C)C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001573487419 946252741 /nfs/dbraw/zinc/25/27/41/946252741.db2.gz NUHPNFYIKXWMQL-OAHLLOKOSA-N -1 3 388.476 0.755 20 0 GCADHM Cc1nsc(N2CC[C@H](CNC(=O)[C@@H]3CC(=O)N(C)C3)C2)c1-c1nnn[n-]1 ZINC001571299535 946253277 /nfs/dbraw/zinc/25/32/77/946253277.db2.gz WSLJOIPATNXCSN-GHMZBOCLSA-N -1 3 390.473 0.052 20 0 GCADHM NS(=O)(=O)c1ccsc1C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001571299517 946254194 /nfs/dbraw/zinc/25/41/94/946254194.db2.gz SWPKRXCCWVWKHA-LLVKDONJSA-N -1 3 390.450 0.993 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573487602 946254558 /nfs/dbraw/zinc/25/45/58/946254558.db2.gz PUIUXIUWRSTMJM-BKDNQFJXSA-N -1 3 378.824 0.499 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573487602 946254569 /nfs/dbraw/zinc/25/45/69/946254569.db2.gz PUIUXIUWRSTMJM-BKDNQFJXSA-N -1 3 378.824 0.499 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571299648 946256341 /nfs/dbraw/zinc/25/63/41/946256341.db2.gz YSNKXJSFULQWFC-FZGMBXNASA-N -1 3 390.469 0.157 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571299648 946256350 /nfs/dbraw/zinc/25/63/50/946256350.db2.gz YSNKXJSFULQWFC-FZGMBXNASA-N -1 3 390.469 0.157 20 0 GCADHM Cc1nsc(NC[C@H]2CCN(C(=O)[C@]3(C)CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571299594 946257112 /nfs/dbraw/zinc/25/71/12/946257112.db2.gz YHQVONRUEQSZTL-HWPZZCPQSA-N -1 3 390.473 0.561 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571299663 946260031 /nfs/dbraw/zinc/26/00/31/946260031.db2.gz OHQMQBYAZGEGMQ-VIFPVBQESA-N -1 3 390.791 0.823 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(C(=O)c2cc(Cl)no2)C1 ZINC001571299663 946260041 /nfs/dbraw/zinc/26/00/41/946260041.db2.gz OHQMQBYAZGEGMQ-VIFPVBQESA-N -1 3 390.791 0.823 20 0 GCADHM O=C(CNC(=O)C1CC1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823001276 946260228 /nfs/dbraw/zinc/26/02/28/946260228.db2.gz JWGRZWCMRAOOLQ-UHFFFAOYSA-N -1 3 385.428 0.293 20 0 GCADHM O=C(CNC(=O)C1CC1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823001276 946260238 /nfs/dbraw/zinc/26/02/38/946260238.db2.gz JWGRZWCMRAOOLQ-UHFFFAOYSA-N -1 3 385.428 0.293 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573487776 946260226 /nfs/dbraw/zinc/26/02/26/946260226.db2.gz SZQMMWWDSCNZPF-YUSALJHKSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573487776 946260236 /nfs/dbraw/zinc/26/02/36/946260236.db2.gz SZQMMWWDSCNZPF-YUSALJHKSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573487990 946261195 /nfs/dbraw/zinc/26/11/95/946261195.db2.gz WEPDSFUEHVKTCM-JQWIXIFHSA-N -1 3 377.474 0.533 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571299935 946268142 /nfs/dbraw/zinc/26/81/42/946268142.db2.gz RLCVZTITKOYGJL-MNOVXSKESA-N -1 3 390.835 0.075 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571299935 946268155 /nfs/dbraw/zinc/26/81/55/946268155.db2.gz RLCVZTITKOYGJL-MNOVXSKESA-N -1 3 390.835 0.075 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488592 946270423 /nfs/dbraw/zinc/27/04/23/946270423.db2.gz FBVQPFYAEBRBIC-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488592 946270438 /nfs/dbraw/zinc/27/04/38/946270438.db2.gz FBVQPFYAEBRBIC-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573488634 946272797 /nfs/dbraw/zinc/27/27/97/946272797.db2.gz GNPYQCWBEMILGS-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573488634 946272808 /nfs/dbraw/zinc/27/28/08/946272808.db2.gz GNPYQCWBEMILGS-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488640 946273244 /nfs/dbraw/zinc/27/32/44/946273244.db2.gz GPMZYJUNFDPNRA-LBPRGKRZSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488640 946273252 /nfs/dbraw/zinc/27/32/52/946273252.db2.gz GPMZYJUNFDPNRA-LBPRGKRZSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488708 946273731 /nfs/dbraw/zinc/27/37/31/946273731.db2.gz JQUABLUWCKAOGD-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488708 946273737 /nfs/dbraw/zinc/27/37/37/946273737.db2.gz JQUABLUWCKAOGD-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488891 946280475 /nfs/dbraw/zinc/28/04/75/946280475.db2.gz OZARVHZVGWSLDP-LBPRGKRZSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488891 946280484 /nfs/dbraw/zinc/28/04/84/946280484.db2.gz OZARVHZVGWSLDP-LBPRGKRZSA-N -1 3 386.460 0.969 20 0 GCADHM CC1(C)CN(C(=O)[C@H]2COCCO2)C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571301796 946283783 /nfs/dbraw/zinc/28/37/83/946283783.db2.gz DOXUHLVYUWHEHK-OLZOCXBDSA-N -1 3 391.407 0.465 20 0 GCADHM CC1(C)CN(C(=O)[C@H]2COCCO2)C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571301796 946283791 /nfs/dbraw/zinc/28/37/91/946283791.db2.gz DOXUHLVYUWHEHK-OLZOCXBDSA-N -1 3 391.407 0.465 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)C2(F)CCOCC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571302008 946289616 /nfs/dbraw/zinc/28/96/16/946289616.db2.gz LJKPLRLCDJHDBC-LLVKDONJSA-N -1 3 391.407 0.434 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)C2(F)CCOCC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571302008 946289623 /nfs/dbraw/zinc/28/96/23/946289623.db2.gz LJKPLRLCDJHDBC-LLVKDONJSA-N -1 3 391.407 0.434 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)cn1 ZINC001571302211 946294954 /nfs/dbraw/zinc/29/49/54/946294954.db2.gz RKOWLOIXODTJSQ-UHFFFAOYSA-N -1 3 391.413 0.023 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CN1C(=O)CC1OCCCO1 ZINC001571302168 946294975 /nfs/dbraw/zinc/29/49/75/946294975.db2.gz QEXZENPDKAHEBD-ZYHUDNBSSA-N -1 3 391.407 0.955 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CN1C(=O)CC1OCCCO1 ZINC001571302168 946294982 /nfs/dbraw/zinc/29/49/82/946294982.db2.gz QEXZENPDKAHEBD-ZYHUDNBSSA-N -1 3 391.407 0.955 20 0 GCADHM Cn1cc(CN2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C(F)F)n1 ZINC001571302266 946297969 /nfs/dbraw/zinc/29/79/69/946297969.db2.gz SNSFPPWJQZODEK-UHFFFAOYSA-N -1 3 391.386 0.728 20 0 GCADHM Cn1cc(CN2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C(F)F)n1 ZINC001571302266 946297977 /nfs/dbraw/zinc/29/79/77/946297977.db2.gz SNSFPPWJQZODEK-UHFFFAOYSA-N -1 3 391.386 0.728 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC2(CN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC001571302307 946299857 /nfs/dbraw/zinc/29/98/57/946299857.db2.gz UJHFHRQGARCNOX-SNVBAGLBSA-N -1 3 391.382 0.915 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC2(CN(C(=O)[C@H]3CC3(F)F)C2)C1 ZINC001571302307 946299865 /nfs/dbraw/zinc/29/98/65/946299865.db2.gz UJHFHRQGARCNOX-SNVBAGLBSA-N -1 3 391.382 0.915 20 0 GCADHM O=C([C@@H]1CC1(F)F)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nc1)CCO2 ZINC001571302438 946301982 /nfs/dbraw/zinc/30/19/82/946301982.db2.gz XWOIPRPPXRPXTO-LRDDRELGSA-N -1 3 391.382 0.725 20 0 GCADHM O=C([C@@H]1CC1(F)F)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nc1)CCO2 ZINC001571302438 946301991 /nfs/dbraw/zinc/30/19/91/946301991.db2.gz XWOIPRPPXRPXTO-LRDDRELGSA-N -1 3 391.382 0.725 20 0 GCADHM COC(=O)CNC(=O)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC001571302430 946302593 /nfs/dbraw/zinc/30/25/93/946302593.db2.gz XNVJOIDQZCDDOV-UHFFFAOYSA-N -1 3 391.388 0.065 20 0 GCADHM COC(=O)CNC(=O)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC001571302430 946302602 /nfs/dbraw/zinc/30/26/02/946302602.db2.gz XNVJOIDQZCDDOV-UHFFFAOYSA-N -1 3 391.388 0.065 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3[C@@H](CNC(=O)c4cc(C)ncn4)[C@@H]3C2)n1 ZINC001571302533 946304732 /nfs/dbraw/zinc/30/47/32/946304732.db2.gz AGSHANJQPBEWPD-QKDCVEJESA-N -1 3 391.439 0.781 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3[C@@H](CNC(=O)c4cc(C)ncn4)[C@@H]3C2)n1 ZINC001571302533 946304745 /nfs/dbraw/zinc/30/47/45/946304745.db2.gz AGSHANJQPBEWPD-QKDCVEJESA-N -1 3 391.439 0.781 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2cncnc2)ccc1-c1nnn[n-]1 ZINC001571302843 946316218 /nfs/dbraw/zinc/31/62/18/946316218.db2.gz HMPJLBBOVQRHCQ-GJZGRUSLSA-N -1 3 391.439 0.782 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2cncnc2)ccc1-c1nn[n-]n1 ZINC001571302843 946316228 /nfs/dbraw/zinc/31/62/28/946316228.db2.gz HMPJLBBOVQRHCQ-GJZGRUSLSA-N -1 3 391.439 0.782 20 0 GCADHM CC(=O)N[C@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573496670 946325853 /nfs/dbraw/zinc/32/58/53/946325853.db2.gz AABLEEQNZLQRFG-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573496670 946325866 /nfs/dbraw/zinc/32/58/66/946325866.db2.gz AABLEEQNZLQRFG-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571303422 946335539 /nfs/dbraw/zinc/33/55/39/946335539.db2.gz LSEYFMODFUOMEG-UHFFFAOYSA-N -1 3 391.432 0.687 20 0 GCADHM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571303422 946335548 /nfs/dbraw/zinc/33/55/48/946335548.db2.gz LSEYFMODFUOMEG-UHFFFAOYSA-N -1 3 391.432 0.687 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000823206063 946343299 /nfs/dbraw/zinc/34/32/99/946343299.db2.gz IGRUOFNSSYSZJM-UHFFFAOYSA-N -1 3 396.415 0.035 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000823206063 946343311 /nfs/dbraw/zinc/34/33/11/946343311.db2.gz IGRUOFNSSYSZJM-UHFFFAOYSA-N -1 3 396.415 0.035 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000823206222 946344553 /nfs/dbraw/zinc/34/45/53/946344553.db2.gz OUFJXONDHVBGBQ-CYBMUJFWSA-N -1 3 386.338 0.382 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000823206222 946344564 /nfs/dbraw/zinc/34/45/64/946344564.db2.gz OUFJXONDHVBGBQ-CYBMUJFWSA-N -1 3 386.338 0.382 20 0 GCADHM CC(=O)NCC(=O)N(C)C1CCC(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573497460 946348315 /nfs/dbraw/zinc/34/83/15/946348315.db2.gz REFINHJKTBMNCT-UHFFFAOYSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N(C)C1CCC(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573497460 946348328 /nfs/dbraw/zinc/34/83/28/946348328.db2.gz REFINHJKTBMNCT-UHFFFAOYSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N(C)C1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573497608 946352485 /nfs/dbraw/zinc/35/24/85/946352485.db2.gz TUGKRDQRCARCOQ-UHFFFAOYSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)NCC(=O)N(C)C1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573497608 946352498 /nfs/dbraw/zinc/35/24/98/946352498.db2.gz TUGKRDQRCARCOQ-UHFFFAOYSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573499490 946367257 /nfs/dbraw/zinc/36/72/57/946367257.db2.gz DRHNUCBITOHJGB-ZYHUDNBSSA-N -1 3 375.408 0.648 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573499490 946367270 /nfs/dbraw/zinc/36/72/70/946367270.db2.gz DRHNUCBITOHJGB-ZYHUDNBSSA-N -1 3 375.408 0.648 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571305796 946376068 /nfs/dbraw/zinc/37/60/68/946376068.db2.gz CYVGHNFSHFESTF-DBIOUOCHSA-N -1 3 391.457 0.747 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573502006 946383867 /nfs/dbraw/zinc/38/38/67/946383867.db2.gz UBOPTNIHESRWEH-AWEZNQCLSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573503604 946393056 /nfs/dbraw/zinc/39/30/56/946393056.db2.gz AVNSOFGGJQCSRV-UHFFFAOYSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573503604 946393065 /nfs/dbraw/zinc/39/30/65/946393065.db2.gz AVNSOFGGJQCSRV-UHFFFAOYSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573503654 946395413 /nfs/dbraw/zinc/39/54/13/946395413.db2.gz ATYPEJOIJDFUDK-LLVKDONJSA-N -1 3 378.462 0.195 20 0 GCADHM Cc1nsc(N2CCC[C@H](CNC(=O)C3=COCCO3)C2)c1-c1nnn[n-]1 ZINC001571306425 946399456 /nfs/dbraw/zinc/39/94/56/946399456.db2.gz KRLCCWCOMWWXCP-LLVKDONJSA-N -1 3 391.457 0.852 20 0 GCADHM CC(=O)NCC(=O)N1CCC(N(C)c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573503935 946401302 /nfs/dbraw/zinc/40/13/02/946401302.db2.gz CXTXQJCONZTEIB-UHFFFAOYSA-N -1 3 378.462 0.195 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@]2(CCN(c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573503979 946404231 /nfs/dbraw/zinc/40/42/31/946404231.db2.gz CUCRTQJVHAALEY-SFHVURJKSA-N -1 3 387.419 0.571 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@]2(CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573503979 946404237 /nfs/dbraw/zinc/40/42/37/946404237.db2.gz CUCRTQJVHAALEY-SFHVURJKSA-N -1 3 387.419 0.571 20 0 GCADHM Cc1nsc(NCC2CC(NC(=O)C[C@H]3COC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571306702 946406579 /nfs/dbraw/zinc/40/65/79/946406579.db2.gz NHCLZWGCDHGASB-HSOILSAZSA-N -1 3 391.457 0.892 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1-c1nnn[n-]1 ZINC001571306765 946409356 /nfs/dbraw/zinc/40/93/56/946409356.db2.gz PHRQUSOFBGYEAK-JQWIXIFHSA-N -1 3 391.457 0.421 20 0 GCADHM CSc1ccc(CNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1-c1nn[n-]n1 ZINC001571306765 946409364 /nfs/dbraw/zinc/40/93/64/946409364.db2.gz PHRQUSOFBGYEAK-JQWIXIFHSA-N -1 3 391.457 0.421 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ncc(-c2nnn[n-]2)cc1F ZINC001573504562 946410112 /nfs/dbraw/zinc/41/01/12/946410112.db2.gz HLSFVHMKISKIGC-ZIAGYGMSSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ncc(-c2nn[n-]n2)cc1F ZINC001573504562 946410122 /nfs/dbraw/zinc/41/01/22/946410122.db2.gz HLSFVHMKISKIGC-ZIAGYGMSSA-N -1 3 388.407 0.107 20 0 GCADHM CO[C@H](C)CS(=O)(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001571307047 946416124 /nfs/dbraw/zinc/41/61/24/946416124.db2.gz VAFQJRDGJIWOPS-LLVKDONJSA-N -1 3 391.457 0.722 20 0 GCADHM CO[C@H](C)CS(=O)(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001571307047 946416128 /nfs/dbraw/zinc/41/61/28/946416128.db2.gz VAFQJRDGJIWOPS-LLVKDONJSA-N -1 3 391.457 0.722 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571307139 946417799 /nfs/dbraw/zinc/41/77/99/946417799.db2.gz XXZZYNMHWXHEJE-WCQYABFASA-N -1 3 391.457 0.099 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571307139 946417806 /nfs/dbraw/zinc/41/78/06/946417806.db2.gz XXZZYNMHWXHEJE-WCQYABFASA-N -1 3 391.457 0.099 20 0 GCADHM CCOC(=O)c1cc(CNS(=O)(=O)c2ccc(C)cc2-c2nnn[n-]2)on1 ZINC001571307218 946420677 /nfs/dbraw/zinc/42/06/77/946420677.db2.gz ABHQZMJILSCWME-UHFFFAOYSA-N -1 3 392.397 0.818 20 0 GCADHM CC(=O)NCC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573505431 946422439 /nfs/dbraw/zinc/42/24/39/946422439.db2.gz NONWJMFQNMILPB-LLVKDONJSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573505431 946422442 /nfs/dbraw/zinc/42/24/42/946422442.db2.gz NONWJMFQNMILPB-LLVKDONJSA-N -1 3 386.460 0.745 20 0 GCADHM CC[C@](C)(NS(=O)(=O)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)C(N)=O ZINC001571307562 946425273 /nfs/dbraw/zinc/42/52/73/946425273.db2.gz FBUINVZCOZQZAM-LBPRGKRZSA-N -1 3 392.363 0.818 20 0 GCADHM CC[C@](C)(NS(=O)(=O)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)C(N)=O ZINC001571307562 946425276 /nfs/dbraw/zinc/42/52/76/946425276.db2.gz FBUINVZCOZQZAM-LBPRGKRZSA-N -1 3 392.363 0.818 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573506034 946427696 /nfs/dbraw/zinc/42/76/96/946427696.db2.gz OELGGIZIOAFMOP-IAQYHMDHSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573506034 946427704 /nfs/dbraw/zinc/42/77/04/946427704.db2.gz OELGGIZIOAFMOP-IAQYHMDHSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC([C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573506370 946431984 /nfs/dbraw/zinc/43/19/84/946431984.db2.gz RICVURJZDLNOEK-SECBINFHSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573506432 946434443 /nfs/dbraw/zinc/43/44/43/946434443.db2.gz SHLWBTCHXBFWES-LLVKDONJSA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573506432 946434451 /nfs/dbraw/zinc/43/44/51/946434451.db2.gz SHLWBTCHXBFWES-LLVKDONJSA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001573506676 946434971 /nfs/dbraw/zinc/43/49/71/946434971.db2.gz RHWWKLCIRIQOQA-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001573506676 946434978 /nfs/dbraw/zinc/43/49/78/946434978.db2.gz RHWWKLCIRIQOQA-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CN(C)c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573506754 946437744 /nfs/dbraw/zinc/43/77/44/946437744.db2.gz STTZKEWIBGYMSY-UHFFFAOYSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CN(C)c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573506754 946437750 /nfs/dbraw/zinc/43/77/50/946437750.db2.gz STTZKEWIBGYMSY-UHFFFAOYSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CN(C)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573506911 946440602 /nfs/dbraw/zinc/44/06/02/946440602.db2.gz VTKUZKRVXWBWSY-UHFFFAOYSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CN(C)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573506911 946440611 /nfs/dbraw/zinc/44/06/11/946440611.db2.gz VTKUZKRVXWBWSY-UHFFFAOYSA-N -1 3 389.435 0.817 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@H](NCc2ncnn2CC(F)F)C1 ZINC001571309218 946442160 /nfs/dbraw/zinc/44/21/60/946442160.db2.gz XVGFHKPGJCLKDT-SNVBAGLBSA-N -1 3 392.374 0.056 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)[C@@H]1CCC(=O)NC1 ZINC000823526121 946443693 /nfs/dbraw/zinc/44/36/93/946443693.db2.gz ZJYCDNOJZQXWRR-LLVKDONJSA-N -1 3 385.428 0.293 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)[C@@H]1CCC(=O)NC1 ZINC000823526121 946443699 /nfs/dbraw/zinc/44/36/99/946443699.db2.gz ZJYCDNOJZQXWRR-LLVKDONJSA-N -1 3 385.428 0.293 20 0 GCADHM C[C@]1(NC(=O)c2cccc(CNc3ncccc3-c3nnn[n-]3)c2)CCNC1=O ZINC001571309464 946444018 /nfs/dbraw/zinc/44/40/18/946444018.db2.gz ARRQVPHZTQYMJX-IBGZPJMESA-N -1 3 392.423 0.882 20 0 GCADHM C[C@]1(NC(=O)c2cccc(CNc3ncccc3-c3nn[n-]n3)c2)CCNC1=O ZINC001571309464 946444025 /nfs/dbraw/zinc/44/40/25/946444025.db2.gz ARRQVPHZTQYMJX-IBGZPJMESA-N -1 3 392.423 0.882 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571309463 946444339 /nfs/dbraw/zinc/44/43/39/946444339.db2.gz AOQWVHLDCXGBTI-QLFBSQMISA-N -1 3 392.423 0.724 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571309463 946444346 /nfs/dbraw/zinc/44/43/46/946444346.db2.gz AOQWVHLDCXGBTI-QLFBSQMISA-N -1 3 392.423 0.724 20 0 GCADHM O=C(Cn1ccccc1=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571309466 946444709 /nfs/dbraw/zinc/44/47/09/946444709.db2.gz ASOWZPSUKVZJAV-XJKSGUPXSA-N -1 3 392.423 0.161 20 0 GCADHM O=C(Cn1ccccc1=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571309466 946444715 /nfs/dbraw/zinc/44/47/15/946444715.db2.gz ASOWZPSUKVZJAV-XJKSGUPXSA-N -1 3 392.423 0.161 20 0 GCADHM C[C@@]1(NC(=O)c2cccc(CNc3ncccc3-c3nnn[n-]3)c2)CCNC1=O ZINC001571309465 946444944 /nfs/dbraw/zinc/44/49/44/946444944.db2.gz ARRQVPHZTQYMJX-LJQANCHMSA-N -1 3 392.423 0.882 20 0 GCADHM C[C@@]1(NC(=O)c2cccc(CNc3ncccc3-c3nn[n-]n3)c2)CCNC1=O ZINC001571309465 946444946 /nfs/dbraw/zinc/44/49/46/946444946.db2.gz ARRQVPHZTQYMJX-LJQANCHMSA-N -1 3 392.423 0.882 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCN(C)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573507424 946445671 /nfs/dbraw/zinc/44/56/71/946445671.db2.gz XXHAUQARWGMQLB-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCN(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573507424 946445677 /nfs/dbraw/zinc/44/56/77/946445677.db2.gz XXHAUQARWGMQLB-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)c4ncccc4[O-])[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571309546 946446789 /nfs/dbraw/zinc/44/67/89/946446789.db2.gz DAZOUBRCOBDEJY-DEZZGGKRSA-N -1 3 392.423 0.783 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CCNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573507543 946447038 /nfs/dbraw/zinc/44/70/38/946447038.db2.gz YWKQXHXBKGSZIN-LLVKDONJSA-N -1 3 378.462 0.418 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CCNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573507545 946447910 /nfs/dbraw/zinc/44/79/10/946447910.db2.gz YWKQXHXBKGSZIN-NSHDSACASA-N -1 3 378.462 0.418 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC001573507694 946449087 /nfs/dbraw/zinc/44/90/87/946449087.db2.gz WWSRYGYVIYPINA-CMPLNLGQSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573507694 946449092 /nfs/dbraw/zinc/44/90/92/946449092.db2.gz WWSRYGYVIYPINA-CMPLNLGQSA-N -1 3 375.408 0.933 20 0 GCADHM NC(=O)c1cccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001571309595 946449276 /nfs/dbraw/zinc/44/92/76/946449276.db2.gz FHORTADHWQMBOH-HNNXBMFYSA-N -1 3 392.423 0.759 20 0 GCADHM NC(=O)c1cccc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001571309595 946449279 /nfs/dbraw/zinc/44/92/79/946449279.db2.gz FHORTADHWQMBOH-HNNXBMFYSA-N -1 3 392.423 0.759 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573507756 946452626 /nfs/dbraw/zinc/45/26/26/946452626.db2.gz XWSUXTWCVNGUIF-GFCCVEGCSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573507756 946452640 /nfs/dbraw/zinc/45/26/40/946452640.db2.gz XWSUXTWCVNGUIF-GFCCVEGCSA-N -1 3 375.408 0.569 20 0 GCADHM Cn1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)C2)nn1 ZINC001571309768 946452828 /nfs/dbraw/zinc/45/28/28/946452828.db2.gz KDLKKKQMALEDNE-SNVBAGLBSA-N -1 3 392.420 0.703 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573508288 946454156 /nfs/dbraw/zinc/45/41/56/946454156.db2.gz YZARSGLCMMSQKS-HNNXBMFYSA-N -1 3 389.435 0.565 20 0 GCADHM NC(=O)c1cccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC001571309821 946455286 /nfs/dbraw/zinc/45/52/86/946455286.db2.gz LVNGVSDPBNUKJK-GFCCVEGCSA-N -1 3 392.423 0.617 20 0 GCADHM NC(=O)c1cccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC001571309821 946455298 /nfs/dbraw/zinc/45/52/98/946455298.db2.gz LVNGVSDPBNUKJK-GFCCVEGCSA-N -1 3 392.423 0.617 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573509232 946460415 /nfs/dbraw/zinc/46/04/15/946460415.db2.gz IMBLKTSPNZFTFP-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573509232 946460422 /nfs/dbraw/zinc/46/04/22/946460422.db2.gz IMBLKTSPNZFTFP-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573509192 946460505 /nfs/dbraw/zinc/46/05/05/946460505.db2.gz GQTOKELSSRUPEZ-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573509192 946460508 /nfs/dbraw/zinc/46/05/08/946460508.db2.gz GQTOKELSSRUPEZ-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573509577 946464925 /nfs/dbraw/zinc/46/49/25/946464925.db2.gz OFLBNFAEPITZRB-JOYOIKCWSA-N -1 3 392.489 0.949 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573509527 946464939 /nfs/dbraw/zinc/46/49/39/946464939.db2.gz NLMPVJLVRYGWRM-LBPRGKRZSA-N -1 3 392.851 0.844 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573509527 946464947 /nfs/dbraw/zinc/46/49/47/946464947.db2.gz NLMPVJLVRYGWRM-LBPRGKRZSA-N -1 3 392.851 0.844 20 0 GCADHM CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573509796 946467517 /nfs/dbraw/zinc/46/75/17/946467517.db2.gz SBOZBJLGEUEZIY-IINYFYTJSA-N -1 3 391.407 0.170 20 0 GCADHM CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573509796 946467522 /nfs/dbraw/zinc/46/75/22/946467522.db2.gz SBOZBJLGEUEZIY-IINYFYTJSA-N -1 3 391.407 0.170 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573510043 946468971 /nfs/dbraw/zinc/46/89/71/946468971.db2.gz WSBQTRUSRGJBJJ-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573510043 946468977 /nfs/dbraw/zinc/46/89/77/946468977.db2.gz WSBQTRUSRGJBJJ-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573509996 946469207 /nfs/dbraw/zinc/46/92/07/946469207.db2.gz UYGSFZGQTAABDZ-RISCZKNCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573509996 946469210 /nfs/dbraw/zinc/46/92/10/946469210.db2.gz UYGSFZGQTAABDZ-RISCZKNCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1snc(C)c1-c1nnn[n-]1)CC(C)C ZINC001573510302 946476793 /nfs/dbraw/zinc/47/67/93/946476793.db2.gz DSTPWJCRIDTDHZ-NSHDSACASA-N -1 3 380.478 0.711 20 0 GCADHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC001571310640 946478259 /nfs/dbraw/zinc/47/82/59/946478259.db2.gz LKNXWTIWUYGCFB-UHFFFAOYSA-N -1 3 392.466 0.989 20 0 GCADHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC001571310640 946478263 /nfs/dbraw/zinc/47/82/63/946478263.db2.gz LKNXWTIWUYGCFB-UHFFFAOYSA-N -1 3 392.466 0.989 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573510770 946479881 /nfs/dbraw/zinc/47/98/81/946479881.db2.gz KSFGSIYRIISLFE-GDBMZVCRSA-N -1 3 387.419 0.175 20 0 GCADHM O=C1[C@@H](N2CCS(=O)(=O)CCO2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC001571311152 946483305 /nfs/dbraw/zinc/48/33/05/946483305.db2.gz SEGMGVLCANYIFK-AWEZNQCLSA-N -1 3 392.441 0.024 20 0 GCADHM O=C1[C@@H](N2CCS(=O)(=O)CCO2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001571311152 946483310 /nfs/dbraw/zinc/48/33/10/946483310.db2.gz SEGMGVLCANYIFK-AWEZNQCLSA-N -1 3 392.441 0.024 20 0 GCADHM Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571311246 946484586 /nfs/dbraw/zinc/48/45/86/946484586.db2.gz UORIGTUQEWTYOI-AEJSXWLSSA-N -1 3 392.445 0.437 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)[C@H](C)C1 ZINC001573511418 946484990 /nfs/dbraw/zinc/48/49/90/946484990.db2.gz PORBCVARYDVFLK-BXKDBHETSA-N -1 3 392.851 0.558 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)[C@H](C)C1 ZINC001573511418 946484997 /nfs/dbraw/zinc/48/49/97/946484997.db2.gz PORBCVARYDVFLK-BXKDBHETSA-N -1 3 392.851 0.558 20 0 GCADHM c1cc(-c2nnn[n-]2)ncc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000823820158 946485910 /nfs/dbraw/zinc/48/59/10/946485910.db2.gz AVNBXFPGTPVYBE-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM c1cc(-c2nn[n-]n2)ncc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000823820158 946485915 /nfs/dbraw/zinc/48/59/15/946485915.db2.gz AVNBXFPGTPVYBE-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM NC(=O)C[C@@H](NS(=O)(=O)Cc1csc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001571311382 946487030 /nfs/dbraw/zinc/48/70/30/946487030.db2.gz WKQVMIPYDKUFSX-GFCCVEGCSA-N -1 3 392.466 0.964 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573511519 946487035 /nfs/dbraw/zinc/48/70/35/946487035.db2.gz BAXHLAVPXXZMGJ-GWCFXTLKSA-N -1 3 392.851 0.748 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573511519 946487041 /nfs/dbraw/zinc/48/70/41/946487041.db2.gz BAXHLAVPXXZMGJ-GWCFXTLKSA-N -1 3 392.851 0.748 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573512212 946495964 /nfs/dbraw/zinc/49/59/64/946495964.db2.gz WEVRYTLJDHLQOI-UGSOOPFHSA-N -1 3 384.444 0.438 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573512212 946495969 /nfs/dbraw/zinc/49/59/69/946495969.db2.gz WEVRYTLJDHLQOI-UGSOOPFHSA-N -1 3 384.444 0.438 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001573512198 946496363 /nfs/dbraw/zinc/49/63/63/946496363.db2.gz VXJLUGZUKQZKMC-GFCCVEGCSA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001573512198 946496368 /nfs/dbraw/zinc/49/63/68/946496368.db2.gz VXJLUGZUKQZKMC-GFCCVEGCSA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(=O)N[C@@](C)(CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573512164 946496635 /nfs/dbraw/zinc/49/66/35/946496635.db2.gz VEPDUIFGEJSZFZ-HNNXBMFYSA-N -1 3 378.462 0.465 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573512271 946498843 /nfs/dbraw/zinc/49/88/43/946498843.db2.gz XBHOLJZYERONQI-SMDDNHRTSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573512271 946498851 /nfs/dbraw/zinc/49/88/51/946498851.db2.gz XBHOLJZYERONQI-SMDDNHRTSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573512563 946500707 /nfs/dbraw/zinc/50/07/07/946500707.db2.gz GYYKPMGBAYLJNZ-AGUYFDCRSA-N -1 3 384.444 0.322 20 0 GCADHM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573512563 946500716 /nfs/dbraw/zinc/50/07/16/946500716.db2.gz GYYKPMGBAYLJNZ-AGUYFDCRSA-N -1 3 384.444 0.322 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1snc(C)c1-c1nnn[n-]1)C2 ZINC001573512755 946503624 /nfs/dbraw/zinc/50/36/24/946503624.db2.gz HKJVTCBPUZLFSF-SRVKXCTJSA-N -1 3 390.473 0.241 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)ccc1-c1nnn[n-]1)C2 ZINC001573512828 946506403 /nfs/dbraw/zinc/50/64/03/946506403.db2.gz IKNSRQSYTDYUAN-MJBXVCDLSA-N -1 3 384.444 0.180 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)ccc1-c1nn[n-]n1)C2 ZINC001573512828 946506411 /nfs/dbraw/zinc/50/64/11/946506411.db2.gz IKNSRQSYTDYUAN-MJBXVCDLSA-N -1 3 384.444 0.180 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573513197 946507889 /nfs/dbraw/zinc/50/78/89/946507889.db2.gz LQCYTZGYVWSSFG-GZMMTYOYSA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)NCC(=O)NC1(C2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CC1 ZINC001573513054 946507944 /nfs/dbraw/zinc/50/79/44/946507944.db2.gz KHAALGHPHCUEON-UHFFFAOYSA-N -1 3 384.444 0.263 20 0 GCADHM CC(=O)NCC(=O)NC1(C2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CC1 ZINC001573513054 946507951 /nfs/dbraw/zinc/50/79/51/946507951.db2.gz KHAALGHPHCUEON-UHFFFAOYSA-N -1 3 384.444 0.263 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C12CCC2 ZINC001573513127 946509001 /nfs/dbraw/zinc/50/90/01/946509001.db2.gz KYUALIHKLWWYLL-KGLIPLIRSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C12CCC2 ZINC001573513127 946509010 /nfs/dbraw/zinc/50/90/10/946509010.db2.gz KYUALIHKLWWYLL-KGLIPLIRSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)c(C)n1)C2 ZINC001573513256 946509857 /nfs/dbraw/zinc/50/98/57/946509857.db2.gz LYUMIBRJJUFNRA-UHFFFAOYSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)c(C)n1)C2 ZINC001573513256 946509867 /nfs/dbraw/zinc/50/98/67/946509867.db2.gz LYUMIBRJJUFNRA-UHFFFAOYSA-N -1 3 384.444 0.546 20 0 GCADHM CN(C(=O)[C@@H]1CCc2cncn2C1)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571313037 946511088 /nfs/dbraw/zinc/51/10/88/946511088.db2.gz IKEAYGBJESJUBO-MRXNPFEDSA-N -1 3 392.467 0.968 20 0 GCADHM Nc1nccnc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001571313111 946512308 /nfs/dbraw/zinc/51/23/08/946512308.db2.gz OAMDSYKXGYJVGM-BETUJISGSA-N -1 3 392.427 0.517 20 0 GCADHM Nc1nccnc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001571313111 946512314 /nfs/dbraw/zinc/51/23/14/946512314.db2.gz OAMDSYKXGYJVGM-BETUJISGSA-N -1 3 392.427 0.517 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2C1 ZINC001573514102 946517075 /nfs/dbraw/zinc/51/70/75/946517075.db2.gz SABJNUMPLCXZPY-QLFBSQMISA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2C1 ZINC001573514102 946517081 /nfs/dbraw/zinc/51/70/81/946517081.db2.gz SABJNUMPLCXZPY-QLFBSQMISA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)NC1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573514210 946524118 /nfs/dbraw/zinc/52/41/18/946524118.db2.gz VEQKVALQDIUXSF-UHFFFAOYSA-N -1 3 376.396 0.012 20 0 GCADHM CC(=O)NCC(=O)NC1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573514210 946524126 /nfs/dbraw/zinc/52/41/26/946524126.db2.gz VEQKVALQDIUXSF-UHFFFAOYSA-N -1 3 376.396 0.012 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573514575 946529611 /nfs/dbraw/zinc/52/96/11/946529611.db2.gz AFTFVDHHNLJFTD-JOYOIKCWSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573514575 946529621 /nfs/dbraw/zinc/52/96/21/946529621.db2.gz AFTFVDHHNLJFTD-JOYOIKCWSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573514656 946533040 /nfs/dbraw/zinc/53/30/40/946533040.db2.gz CBBGNNXDCWKBNZ-LBPRGKRZSA-N -1 3 375.408 0.617 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573514656 946533048 /nfs/dbraw/zinc/53/30/48/946533048.db2.gz CBBGNNXDCWKBNZ-LBPRGKRZSA-N -1 3 375.408 0.617 20 0 GCADHM CC(=O)NC[C@H]1CN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000823994929 946539578 /nfs/dbraw/zinc/53/95/78/946539578.db2.gz SWQRBDWHTAVOJQ-IRXDYDNUSA-N -1 3 399.455 0.199 20 0 GCADHM CC(=O)NC[C@H]1CN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000823994929 946539588 /nfs/dbraw/zinc/53/95/88/946539588.db2.gz SWQRBDWHTAVOJQ-IRXDYDNUSA-N -1 3 399.455 0.199 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1(C)C ZINC001573515935 946553071 /nfs/dbraw/zinc/55/30/71/946553071.db2.gz SNFXNPVDZCJFAU-AWEZNQCLSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1(C)C ZINC001573515935 946553080 /nfs/dbraw/zinc/55/30/80/946553080.db2.gz SNFXNPVDZCJFAU-AWEZNQCLSA-N -1 3 386.460 0.427 20 0 GCADHM C[C@H](C(=O)NC(=O)NC1CC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824041024 946564786 /nfs/dbraw/zinc/56/47/86/946564786.db2.gz XCWAHJCTABVTTF-ABAIWWIYSA-N -1 3 385.428 0.617 20 0 GCADHM C[C@H](C(=O)NC(=O)NC1CC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824041024 946564797 /nfs/dbraw/zinc/56/47/97/946564797.db2.gz XCWAHJCTABVTTF-ABAIWWIYSA-N -1 3 385.428 0.617 20 0 GCADHM Cc1cn2c(n1)C[C@@H](C(=O)NC1CN(Cc3ccccc3-c3nnn[n-]3)C1)CC2 ZINC001571316363 946574233 /nfs/dbraw/zinc/57/42/33/946574233.db2.gz ATYUCVIXRKKCHE-AWEZNQCLSA-N -1 3 392.467 0.935 20 0 GCADHM Cc1cn2c(n1)C[C@@H](C(=O)NC1CN(Cc3ccccc3-c3nn[n-]n3)C1)CC2 ZINC001571316363 946574243 /nfs/dbraw/zinc/57/42/43/946574243.db2.gz ATYUCVIXRKKCHE-AWEZNQCLSA-N -1 3 392.467 0.935 20 0 GCADHM CC(=O)NCC(=O)NC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC001573517659 946578799 /nfs/dbraw/zinc/57/87/99/946578799.db2.gz PAQHHHGAWJNFDY-LBPRGKRZSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)NCC(=O)NC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC001573517659 946578815 /nfs/dbraw/zinc/57/88/15/946578815.db2.gz PAQHHHGAWJNFDY-LBPRGKRZSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573517848 946581275 /nfs/dbraw/zinc/58/12/75/946581275.db2.gz SQDNHGCMURDRLC-LLVKDONJSA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573517848 946581287 /nfs/dbraw/zinc/58/12/87/946581287.db2.gz SQDNHGCMURDRLC-LLVKDONJSA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573518027 946584350 /nfs/dbraw/zinc/58/43/50/946584350.db2.gz WDNQUBUGLIJQPK-LBPRGKRZSA-N -1 3 392.851 0.526 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573518027 946584356 /nfs/dbraw/zinc/58/43/56/946584356.db2.gz WDNQUBUGLIJQPK-LBPRGKRZSA-N -1 3 392.851 0.526 20 0 GCADHM Cc1ncc2n1CC[C@H](C(=O)NC1CN(Cc3cccc(-c4nn[n-]n4)c3)C1)C2 ZINC001571316895 946593502 /nfs/dbraw/zinc/59/35/02/946593502.db2.gz PHDCGVVRBNWGCE-INIZCTEOSA-N -1 3 392.467 0.935 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573521564 946608799 /nfs/dbraw/zinc/60/87/99/946608799.db2.gz ZGDZFKICMGOHHZ-HDJSIYSDSA-N -1 3 386.460 0.732 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573521564 946608806 /nfs/dbraw/zinc/60/88/06/946608806.db2.gz ZGDZFKICMGOHHZ-HDJSIYSDSA-N -1 3 386.460 0.732 20 0 GCADHM CN1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571317441 946611957 /nfs/dbraw/zinc/61/19/57/946611957.db2.gz HYTDFQRGEFFEEZ-YPMHNXCESA-N -1 3 392.851 0.259 20 0 GCADHM CN1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571317441 946611963 /nfs/dbraw/zinc/61/19/63/946611963.db2.gz HYTDFQRGEFFEEZ-YPMHNXCESA-N -1 3 392.851 0.259 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)C1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573521819 946613836 /nfs/dbraw/zinc/61/38/36/946613836.db2.gz IKZHCADFJAMSOL-VIFPVBQESA-N -1 3 392.489 0.489 20 0 GCADHM CO[C@H](C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@@H]1CCOC1 ZINC001571317667 946616936 /nfs/dbraw/zinc/61/69/36/946616936.db2.gz QINHMCHHADDEAL-DOMZBBRYSA-N -1 3 392.485 0.624 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573521957 946618398 /nfs/dbraw/zinc/61/83/98/946618398.db2.gz QQJRPNBDHYLSGA-HAQNSBGRSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573521957 946618407 /nfs/dbraw/zinc/61/84/07/946618407.db2.gz QQJRPNBDHYLSGA-HAQNSBGRSA-N -1 3 392.851 0.891 20 0 GCADHM CC(C)[C@@H](O)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000824199952 946618922 /nfs/dbraw/zinc/61/89/22/946618922.db2.gz MXFFDMDAMUVSKO-CYBMUJFWSA-N -1 3 376.392 0.858 20 0 GCADHM CC(C)[C@@H](O)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000824199952 946618927 /nfs/dbraw/zinc/61/89/27/946618927.db2.gz MXFFDMDAMUVSKO-CYBMUJFWSA-N -1 3 376.392 0.858 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573522092 946621231 /nfs/dbraw/zinc/62/12/31/946621231.db2.gz AGPLOIWBMVYBGX-CQSZACIVSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573522092 946621238 /nfs/dbraw/zinc/62/12/38/946621238.db2.gz AGPLOIWBMVYBGX-CQSZACIVSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573522086 946621269 /nfs/dbraw/zinc/62/12/69/946621269.db2.gz AEMNNAKDFXIKLA-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573522086 946621273 /nfs/dbraw/zinc/62/12/73/946621273.db2.gz AEMNNAKDFXIKLA-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573523217 946633961 /nfs/dbraw/zinc/63/39/61/946633961.db2.gz PTIGKZVYSVHSJP-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573523217 946633967 /nfs/dbraw/zinc/63/39/67/946633967.db2.gz PTIGKZVYSVHSJP-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573523249 946634111 /nfs/dbraw/zinc/63/41/11/946634111.db2.gz QCJLHJQLCRSXCI-JTQLQIEISA-N -1 3 392.439 0.870 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573523249 946634120 /nfs/dbraw/zinc/63/41/20/946634120.db2.gz QCJLHJQLCRSXCI-JTQLQIEISA-N -1 3 392.439 0.870 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573523155 946634464 /nfs/dbraw/zinc/63/44/64/946634464.db2.gz OXBPQLOESQQODD-SMDDNHRTSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573523155 946634470 /nfs/dbraw/zinc/63/44/70/946634470.db2.gz OXBPQLOESQQODD-SMDDNHRTSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573523148 946635212 /nfs/dbraw/zinc/63/52/12/946635212.db2.gz OXBPQLOESQQODD-FZMZJTMJSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573523148 946635219 /nfs/dbraw/zinc/63/52/19/946635219.db2.gz OXBPQLOESQQODD-FZMZJTMJSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573523705 946638212 /nfs/dbraw/zinc/63/82/12/946638212.db2.gz VZHVBTLONLFKLX-UHFFFAOYSA-N -1 3 380.478 0.664 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(c1ncc(-c3nnn[n-]3)cc1F)C2 ZINC001573523698 946639185 /nfs/dbraw/zinc/63/91/85/946639185.db2.gz VVDIKQCMCDPJIQ-SJCJKPOMSA-N -1 3 388.407 0.012 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(c1ncc(-c3nn[n-]n3)cc1F)C2 ZINC001573523698 946639191 /nfs/dbraw/zinc/63/91/91/946639191.db2.gz VVDIKQCMCDPJIQ-SJCJKPOMSA-N -1 3 388.407 0.012 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573527556 946642729 /nfs/dbraw/zinc/64/27/29/946642729.db2.gz CNPMCPCKGGFYCO-JOCQHMNTSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573527556 946642742 /nfs/dbraw/zinc/64/27/42/946642742.db2.gz CNPMCPCKGGFYCO-JOCQHMNTSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573527814 946647969 /nfs/dbraw/zinc/64/79/69/946647969.db2.gz IOWNWIIAASKKLY-LLVKDONJSA-N -1 3 388.476 0.897 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573527814 946647977 /nfs/dbraw/zinc/64/79/77/946647977.db2.gz IOWNWIIAASKKLY-LLVKDONJSA-N -1 3 388.476 0.897 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573527994 946652476 /nfs/dbraw/zinc/65/24/76/946652476.db2.gz OPKMEJDXLLXOQK-LLVKDONJSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573527994 946652480 /nfs/dbraw/zinc/65/24/80/946652480.db2.gz OPKMEJDXLLXOQK-LLVKDONJSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC/C=C/CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573528015 946652838 /nfs/dbraw/zinc/65/28/38/946652838.db2.gz PHEUJUFGCHNFIQ-AATRIKPKSA-N -1 3 386.460 0.817 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC/C=C/CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573528015 946652844 /nfs/dbraw/zinc/65/28/44/946652844.db2.gz PHEUJUFGCHNFIQ-AATRIKPKSA-N -1 3 386.460 0.817 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573528007 946653483 /nfs/dbraw/zinc/65/34/83/946653483.db2.gz OYXZHFVWOMIMKK-VIFPVBQESA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573528007 946653489 /nfs/dbraw/zinc/65/34/89/946653489.db2.gz OYXZHFVWOMIMKK-VIFPVBQESA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573528077 946655004 /nfs/dbraw/zinc/65/50/04/946655004.db2.gz SRXHEMLKKJUVMK-JTQLQIEISA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573528077 946655019 /nfs/dbraw/zinc/65/50/19/946655019.db2.gz SRXHEMLKKJUVMK-JTQLQIEISA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573528050 946655396 /nfs/dbraw/zinc/65/53/96/946655396.db2.gz RJWHZNOTZZPSMF-UHFFFAOYSA-N -1 3 380.478 0.346 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NC(=O)CNc1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000824364752 946669409 /nfs/dbraw/zinc/66/94/09/946669409.db2.gz SXOWACNGSQKLDQ-LBPRGKRZSA-N -1 3 382.432 0.520 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NC(=O)CNc1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000824364752 946669416 /nfs/dbraw/zinc/66/94/16/946669416.db2.gz SXOWACNGSQKLDQ-LBPRGKRZSA-N -1 3 382.432 0.520 20 0 GCADHM CC(=O)NCC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573529484 946675471 /nfs/dbraw/zinc/67/54/71/946675471.db2.gz MVYLXSWEPZWWSW-LBPRGKRZSA-N -1 3 379.446 0.189 20 0 GCADHM CC(=O)NCC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573529484 946675480 /nfs/dbraw/zinc/67/54/80/946675480.db2.gz MVYLXSWEPZWWSW-LBPRGKRZSA-N -1 3 379.446 0.189 20 0 GCADHM CC(=O)NCCCCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573530421 946694876 /nfs/dbraw/zinc/69/48/76/946694876.db2.gz ZSQMJOUCEVHKSH-OAHLLOKOSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)NCCCCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573530421 946694882 /nfs/dbraw/zinc/69/48/82/946694882.db2.gz ZSQMJOUCEVHKSH-OAHLLOKOSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)NC[C@H](CC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2)CC(C)C ZINC001573533127 946707851 /nfs/dbraw/zinc/70/78/51/946707851.db2.gz IGRLRJYMISKCII-LBPRGKRZSA-N -1 3 390.448 0.720 20 0 GCADHM CC(=O)NC[C@H](CC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2)CC(C)C ZINC001573533127 946707858 /nfs/dbraw/zinc/70/78/58/946707858.db2.gz IGRLRJYMISKCII-LBPRGKRZSA-N -1 3 390.448 0.720 20 0 GCADHM CC(CO)(CO)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824436822 946709039 /nfs/dbraw/zinc/70/90/39/946709039.db2.gz VTYFKAUIPCVEAR-UHFFFAOYSA-N -1 3 392.807 0.571 20 0 GCADHM CC(CO)(CO)NC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824436822 946709044 /nfs/dbraw/zinc/70/90/44/946709044.db2.gz VTYFKAUIPCVEAR-UHFFFAOYSA-N -1 3 392.807 0.571 20 0 GCADHM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000824465761 946716700 /nfs/dbraw/zinc/71/67/00/946716700.db2.gz RZPCBPIILINLCT-LLVKDONJSA-N -1 3 378.396 0.734 20 0 GCADHM C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000824465761 946716712 /nfs/dbraw/zinc/71/67/12/946716712.db2.gz RZPCBPIILINLCT-LLVKDONJSA-N -1 3 378.396 0.734 20 0 GCADHM CC(=O)NCc1ccc(CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573533778 946718497 /nfs/dbraw/zinc/71/84/97/946718497.db2.gz ZKXAQBWSCLEUPD-UHFFFAOYSA-N -1 3 386.437 0.981 20 0 GCADHM CC(=O)NCc1ccc(CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573533778 946718501 /nfs/dbraw/zinc/71/85/01/946718501.db2.gz ZKXAQBWSCLEUPD-UHFFFAOYSA-N -1 3 386.437 0.981 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C(C)C)C(C)C ZINC001573535286 946718690 /nfs/dbraw/zinc/71/86/90/946718690.db2.gz AWDZHLOHJZZCIE-JKSUJKDBSA-N -1 3 388.476 0.975 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C(C)C)C(C)C ZINC001573535286 946718700 /nfs/dbraw/zinc/71/87/00/946718700.db2.gz AWDZHLOHJZZCIE-JKSUJKDBSA-N -1 3 388.476 0.975 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C(C)C ZINC001573535365 946721293 /nfs/dbraw/zinc/72/12/93/946721293.db2.gz DHOJVGZAQRNJSG-TZMCWYRMSA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C(C)C ZINC001573535365 946721301 /nfs/dbraw/zinc/72/13/01/946721301.db2.gz DHOJVGZAQRNJSG-TZMCWYRMSA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1)C(C)C ZINC001573535821 946724375 /nfs/dbraw/zinc/72/43/75/946724375.db2.gz JZTLAHCLSDXQSB-XJKSGUPXSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1)C(C)C ZINC001573535821 946724385 /nfs/dbraw/zinc/72/43/85/946724385.db2.gz JZTLAHCLSDXQSB-XJKSGUPXSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1)C(C)C ZINC001573535819 946724835 /nfs/dbraw/zinc/72/48/35/946724835.db2.gz JZTLAHCLSDXQSB-CZUORRHYSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1)C(C)C ZINC001573535819 946724844 /nfs/dbraw/zinc/72/48/44/946724844.db2.gz JZTLAHCLSDXQSB-CZUORRHYSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H]1C)C(C)C ZINC001573535749 946725829 /nfs/dbraw/zinc/72/58/29/946725829.db2.gz IUTIFWGPOCPLOT-DIOULYMOSA-N -1 3 386.460 0.506 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H]1C)C(C)C ZINC001573535749 946725838 /nfs/dbraw/zinc/72/58/38/946725838.db2.gz IUTIFWGPOCPLOT-DIOULYMOSA-N -1 3 386.460 0.506 20 0 GCADHM C[C@@H](NC(=O)[C@H](CO)NC(N)=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472457 946725837 /nfs/dbraw/zinc/72/58/37/946725837.db2.gz WGRFTMRKDVWEAL-BZNIZROVSA-N -1 3 395.423 0.740 20 0 GCADHM C[C@@H](NC(=O)[C@H](CO)NC(N)=O)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472457 946725847 /nfs/dbraw/zinc/72/58/47/946725847.db2.gz WGRFTMRKDVWEAL-BZNIZROVSA-N -1 3 395.423 0.740 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C)C(C)C ZINC001573535971 946727137 /nfs/dbraw/zinc/72/71/37/946727137.db2.gz MBTPZWMLJDCKDV-KCPJHIHWSA-N -1 3 386.460 0.363 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C)C(C)C ZINC001573535971 946727142 /nfs/dbraw/zinc/72/71/42/946727142.db2.gz MBTPZWMLJDCKDV-KCPJHIHWSA-N -1 3 386.460 0.363 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1)C(C)C ZINC001573536004 946728065 /nfs/dbraw/zinc/72/80/65/946728065.db2.gz NOPWQBJXTHKLSO-CYBMUJFWSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1)C(C)C ZINC001573536004 946728074 /nfs/dbraw/zinc/72/80/74/946728074.db2.gz NOPWQBJXTHKLSO-CYBMUJFWSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573536031 946729157 /nfs/dbraw/zinc/72/91/57/946729157.db2.gz OGLFCIXVEFSOAJ-XHDPSFHLSA-N -1 3 388.476 0.895 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573536031 946729167 /nfs/dbraw/zinc/72/91/67/946729167.db2.gz OGLFCIXVEFSOAJ-XHDPSFHLSA-N -1 3 388.476 0.895 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536148 946733105 /nfs/dbraw/zinc/73/31/05/946733105.db2.gz QDAIENUHCAKMCK-IINYFYTJSA-N -1 3 392.439 0.726 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536148 946733112 /nfs/dbraw/zinc/73/31/12/946733112.db2.gz QDAIENUHCAKMCK-IINYFYTJSA-N -1 3 392.439 0.726 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1)C(C)C ZINC001573536394 946734448 /nfs/dbraw/zinc/73/44/48/946734448.db2.gz VXKDURVQQUANAR-DZGCQCFKSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1)C(C)C ZINC001573536394 946734450 /nfs/dbraw/zinc/73/44/50/946734450.db2.gz VXKDURVQQUANAR-DZGCQCFKSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573536659 946740047 /nfs/dbraw/zinc/74/00/47/946740047.db2.gz ADHSXFIWJNHRIW-OFQRWUPVSA-N -1 3 384.444 0.212 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573536659 946740053 /nfs/dbraw/zinc/74/00/53/946740053.db2.gz ADHSXFIWJNHRIW-OFQRWUPVSA-N -1 3 384.444 0.212 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573537401 946748036 /nfs/dbraw/zinc/74/80/36/946748036.db2.gz NFPSFQWTTJTVFL-SWLSCSKDSA-N -1 3 388.476 0.990 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573537401 946748049 /nfs/dbraw/zinc/74/80/49/946748049.db2.gz NFPSFQWTTJTVFL-SWLSCSKDSA-N -1 3 388.476 0.990 20 0 GCADHM C[C@@H](NC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)C(N)=O ZINC000824505871 946752016 /nfs/dbraw/zinc/75/20/16/946752016.db2.gz IUBVLNPLTAPJSD-SSDOTTSWSA-N -1 3 375.780 0.701 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573537724 946756946 /nfs/dbraw/zinc/75/69/46/946756946.db2.gz RHVNLZXEUBDALK-GOEBONIOSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573537724 946756951 /nfs/dbraw/zinc/75/69/51/946756951.db2.gz RHVNLZXEUBDALK-GOEBONIOSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573538276 946767810 /nfs/dbraw/zinc/76/78/10/946767810.db2.gz RXUOHIXAIUJIHM-GJZGRUSLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573538276 946767814 /nfs/dbraw/zinc/76/78/14/946767814.db2.gz RXUOHIXAIUJIHM-GJZGRUSLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573540396 946777021 /nfs/dbraw/zinc/77/70/21/946777021.db2.gz CJGLIWMRYUHEPI-CQSZACIVSA-N -1 3 391.501 0.779 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573540614 946778042 /nfs/dbraw/zinc/77/80/42/946778042.db2.gz ICMWFVUUFSISCQ-QGZVFWFLSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573540614 946778049 /nfs/dbraw/zinc/77/80/49/946778049.db2.gz ICMWFVUUFSISCQ-QGZVFWFLSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573540610 946778170 /nfs/dbraw/zinc/77/81/70/946778170.db2.gz HXRPJGUQMRTLRD-XHDPSFHLSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573540610 946778177 /nfs/dbraw/zinc/77/81/77/946778177.db2.gz HXRPJGUQMRTLRD-XHDPSFHLSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573541202 946783537 /nfs/dbraw/zinc/78/35/37/946783537.db2.gz OLLJNJOTXJLOMT-YRGRVCCFSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573541202 946783544 /nfs/dbraw/zinc/78/35/44/946783544.db2.gz OLLJNJOTXJLOMT-YRGRVCCFSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573541365 946785756 /nfs/dbraw/zinc/78/57/56/946785756.db2.gz QNNLEBJBPBVDOK-IUODEOHRSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573541365 946785764 /nfs/dbraw/zinc/78/57/64/946785764.db2.gz QNNLEBJBPBVDOK-IUODEOHRSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1)C(C)(C)C ZINC001573541867 946789794 /nfs/dbraw/zinc/78/97/94/946789794.db2.gz WBTFINSNHJHUFX-CQSZACIVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1)C(C)(C)C ZINC001573541867 946789799 /nfs/dbraw/zinc/78/97/99/946789799.db2.gz WBTFINSNHJHUFX-CQSZACIVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573542152 946792459 /nfs/dbraw/zinc/79/24/59/946792459.db2.gz AHQKLATZOFXYNA-IINYFYTJSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573542152 946792464 /nfs/dbraw/zinc/79/24/64/946792464.db2.gz AHQKLATZOFXYNA-IINYFYTJSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)Nc1cc(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC001573542199 946792849 /nfs/dbraw/zinc/79/28/49/946792849.db2.gz ATJJCSWASHTNEO-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cc(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001573542199 946792859 /nfs/dbraw/zinc/79/28/59/946792859.db2.gz ATJJCSWASHTNEO-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573542239 946795019 /nfs/dbraw/zinc/79/50/19/946795019.db2.gz CMFAAKOEMQNAAD-OAHLLOKOSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573542239 946795029 /nfs/dbraw/zinc/79/50/29/946795029.db2.gz CMFAAKOEMQNAAD-OAHLLOKOSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)Nc1cc(C(=O)N[C@H](C)CNc2ncccc2-c2nnn[n-]2)ccn1 ZINC001573542336 946796873 /nfs/dbraw/zinc/79/68/73/946796873.db2.gz HDSXARNBPZHSOY-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cc(C(=O)N[C@H](C)CNc2ncccc2-c2nn[n-]n2)ccn1 ZINC001573542336 946796878 /nfs/dbraw/zinc/79/68/78/946796878.db2.gz HDSXARNBPZHSOY-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NCCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573542740 946799953 /nfs/dbraw/zinc/79/99/53/946799953.db2.gz OFXKLYGDAIWCEH-MRXNPFEDSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NCCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573542740 946799958 /nfs/dbraw/zinc/79/99/58/946799958.db2.gz OFXKLYGDAIWCEH-MRXNPFEDSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001573547331 946832820 /nfs/dbraw/zinc/83/28/20/946832820.db2.gz KDOQMTIGPCTSRL-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001573547331 946832831 /nfs/dbraw/zinc/83/28/31/946832831.db2.gz KDOQMTIGPCTSRL-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ncc(S(=O)(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)s1 ZINC001573548289 946850772 /nfs/dbraw/zinc/85/07/72/946850772.db2.gz HUQKZDZJJGUVGM-UHFFFAOYSA-N -1 3 391.438 0.986 20 0 GCADHM CC(=O)Nc1ncc(S(=O)(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)s1 ZINC001573548289 946850781 /nfs/dbraw/zinc/85/07/81/946850781.db2.gz HUQKZDZJJGUVGM-UHFFFAOYSA-N -1 3 391.438 0.986 20 0 GCADHM CC(=O)Nc1nc(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)cs1 ZINC001573548551 946853676 /nfs/dbraw/zinc/85/36/76/946853676.db2.gz NXKGBXINECYTRP-MRVPVSSYSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)cs1 ZINC001573548551 946853688 /nfs/dbraw/zinc/85/36/88/946853688.db2.gz NXKGBXINECYTRP-MRVPVSSYSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)cs1 ZINC001573548552 946853913 /nfs/dbraw/zinc/85/39/13/946853913.db2.gz NXKGBXINECYTRP-QMMMGPOBSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)cs1 ZINC001573548552 946853922 /nfs/dbraw/zinc/85/39/22/946853922.db2.gz NXKGBXINECYTRP-QMMMGPOBSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(CN[C@@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cs1 ZINC001573548785 946858404 /nfs/dbraw/zinc/85/84/04/946858404.db2.gz VIDFJJWNTYVHFU-QMMMGPOBSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CN[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cs1 ZINC001573548785 946858413 /nfs/dbraw/zinc/85/84/13/946858413.db2.gz VIDFJJWNTYVHFU-QMMMGPOBSA-N -1 3 389.445 0.518 20 0 GCADHM CC(C)[C@H]1CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824635048 946882062 /nfs/dbraw/zinc/88/20/62/946882062.db2.gz YDERTDTULZCAIT-BXUZGUMPSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)[C@H]1CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824635048 946882070 /nfs/dbraw/zinc/88/20/70/946882070.db2.gz YDERTDTULZCAIT-BXUZGUMPSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824707556 946907008 /nfs/dbraw/zinc/90/70/08/946907008.db2.gz SQVAABHKVGCBML-MRVPVSSYSA-N -1 3 390.791 0.141 20 0 GCADHM C[C@@H](O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824707556 946907014 /nfs/dbraw/zinc/90/70/14/946907014.db2.gz SQVAABHKVGCBML-MRVPVSSYSA-N -1 3 390.791 0.141 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)C2)nn1 ZINC001573558942 946943140 /nfs/dbraw/zinc/94/31/40/946943140.db2.gz RCZWFEZGHBSAFV-UHFFFAOYSA-N -1 3 385.363 0.566 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)C2)nn1 ZINC001573558942 946943145 /nfs/dbraw/zinc/94/31/45/946943145.db2.gz RCZWFEZGHBSAFV-UHFFFAOYSA-N -1 3 385.363 0.566 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)c(C)c3)C2)nn1 ZINC001573559097 946947730 /nfs/dbraw/zinc/94/77/30/946947730.db2.gz YTMKWFAQCICLKJ-UHFFFAOYSA-N -1 3 388.413 0.215 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(C)c3)C2)nn1 ZINC001573559097 946947736 /nfs/dbraw/zinc/94/77/36/946947736.db2.gz YTMKWFAQCICLKJ-UHFFFAOYSA-N -1 3 388.413 0.215 20 0 GCADHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000824991507 947028398 /nfs/dbraw/zinc/02/83/98/947028398.db2.gz BRWCEIWIWSHLIU-GFCCVEGCSA-N -1 3 387.469 0.886 20 0 GCADHM C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000824991507 947028409 /nfs/dbraw/zinc/02/84/09/947028409.db2.gz BRWCEIWIWSHLIU-GFCCVEGCSA-N -1 3 387.469 0.886 20 0 GCADHM C[C@H]1CN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCS1(=O)=O ZINC000824985204 947028501 /nfs/dbraw/zinc/02/85/01/947028501.db2.gz SYNVGNNAYGLMHC-SWLSCSKDSA-N -1 3 390.469 0.481 20 0 GCADHM C[C@H]1CN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCS1(=O)=O ZINC000824985204 947028513 /nfs/dbraw/zinc/02/85/13/947028513.db2.gz SYNVGNNAYGLMHC-SWLSCSKDSA-N -1 3 390.469 0.481 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(=O)N1CCOCC1 ZINC000825317823 947151938 /nfs/dbraw/zinc/15/19/38/947151938.db2.gz CWOFXBSLRGLLDV-UHFFFAOYSA-N -1 3 387.444 0.647 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)N1CCOCC1 ZINC000825317823 947151947 /nfs/dbraw/zinc/15/19/47/947151947.db2.gz CWOFXBSLRGLLDV-UHFFFAOYSA-N -1 3 387.444 0.647 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825494310 947205484 /nfs/dbraw/zinc/20/54/84/947205484.db2.gz VWOQDFVPSIOSKX-JSGCOSHPSA-N -1 3 377.401 0.310 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825494310 947205493 /nfs/dbraw/zinc/20/54/93/947205493.db2.gz VWOQDFVPSIOSKX-JSGCOSHPSA-N -1 3 377.401 0.310 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)NCCOc2ccccc2)c1-c1nnn[n-]1 ZINC000825564886 947222748 /nfs/dbraw/zinc/22/27/48/947222748.db2.gz HTYQTABBEPDKEF-UHFFFAOYSA-N -1 3 385.384 0.435 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)NC(=O)NC2CCCCC2)c1-c1nnn[n-]1 ZINC000825565013 947223142 /nfs/dbraw/zinc/22/31/42/947223142.db2.gz JYUYWGITQHAKQH-UHFFFAOYSA-N -1 3 390.404 0.398 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000825565324 947223635 /nfs/dbraw/zinc/22/36/35/947223635.db2.gz RDTSCRVQVUNMBX-CHWSQXEVSA-N -1 3 389.416 0.410 20 0 GCADHM CCOC(=O)c1cnn(CCn2cnc3ccccc3c2=O)c1-c1nnn[n-]1 ZINC000825571039 947233670 /nfs/dbraw/zinc/23/36/70/947233670.db2.gz TZEYXBGQQVVUPU-UHFFFAOYSA-N -1 3 380.368 0.650 20 0 GCADHM CCOC(=O)c1cnn(CCCN2C(=O)c3ccccc3C2=O)c1-c1nnn[n-]1 ZINC000825570955 947234609 /nfs/dbraw/zinc/23/46/09/947234609.db2.gz OYNOSJDVJUXHJI-UHFFFAOYSA-N -1 3 395.379 0.926 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573585406 947254925 /nfs/dbraw/zinc/25/49/25/947254925.db2.gz FPHHQVWOHOXIAL-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573585406 947254941 /nfs/dbraw/zinc/25/49/41/947254941.db2.gz FPHHQVWOHOXIAL-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)Cn1ncn(C)c1=O ZINC000825609853 947255799 /nfs/dbraw/zinc/25/57/99/947255799.db2.gz SYGGTWWWNAXAOA-UHFFFAOYSA-N -1 3 379.764 0.420 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)Cn1ncn(C)c1=O ZINC000825609853 947255813 /nfs/dbraw/zinc/25/58/13/947255813.db2.gz SYGGTWWWNAXAOA-UHFFFAOYSA-N -1 3 379.764 0.420 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H](C)c1cccnc1 ZINC001573585561 947259444 /nfs/dbraw/zinc/25/94/44/947259444.db2.gz GSMXEZBAMUCYPC-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H](C)c1cccnc1 ZINC001573585561 947259452 /nfs/dbraw/zinc/25/94/52/947259452.db2.gz GSMXEZBAMUCYPC-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM CC(C)N(C(=O)[C@@H](C)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573585655 947265623 /nfs/dbraw/zinc/26/56/23/947265623.db2.gz HPJNCHWUUMQREX-GFCCVEGCSA-N -1 3 388.476 0.643 20 0 GCADHM CC(C)N(C(=O)[C@@H](C)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573585655 947265633 /nfs/dbraw/zinc/26/56/33/947265633.db2.gz HPJNCHWUUMQREX-GFCCVEGCSA-N -1 3 388.476 0.643 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)C(C)(F)F ZINC001573591483 947313332 /nfs/dbraw/zinc/31/33/32/947313332.db2.gz BUKOQXQPZVPWFR-MNOVXSKESA-N -1 3 383.403 0.809 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)C(C)(F)F ZINC001573591483 947313343 /nfs/dbraw/zinc/31/33/43/947313343.db2.gz BUKOQXQPZVPWFR-MNOVXSKESA-N -1 3 383.403 0.809 20 0 GCADHM CCc1nc(N)sc1C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825750093 947316539 /nfs/dbraw/zinc/31/65/39/947316539.db2.gz LYWGTYYFMYJTDS-UHFFFAOYSA-N -1 3 387.425 0.941 20 0 GCADHM CCc1nc(N)sc1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825750093 947316551 /nfs/dbraw/zinc/31/65/51/947316551.db2.gz LYWGTYYFMYJTDS-UHFFFAOYSA-N -1 3 387.425 0.941 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573592062 947325910 /nfs/dbraw/zinc/32/59/10/947325910.db2.gz IJLNQWPGYXKLNO-OCCSQVGLSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573592062 947325925 /nfs/dbraw/zinc/32/59/25/947325925.db2.gz IJLNQWPGYXKLNO-OCCSQVGLSA-N -1 3 385.428 0.914 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000825825463 947342861 /nfs/dbraw/zinc/34/28/61/947342861.db2.gz COOBYRQFTHUEFN-UHFFFAOYSA-N -1 3 390.381 0.427 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000825825463 947342873 /nfs/dbraw/zinc/34/28/73/947342873.db2.gz COOBYRQFTHUEFN-UHFFFAOYSA-N -1 3 390.381 0.427 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573592705 947345573 /nfs/dbraw/zinc/34/55/73/947345573.db2.gz FQTJCRUHHYCDLY-XGNXJENSSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573592705 947345588 /nfs/dbraw/zinc/34/55/88/947345588.db2.gz FQTJCRUHHYCDLY-XGNXJENSSA-N -1 3 382.428 0.977 20 0 GCADHM CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825846151 947345685 /nfs/dbraw/zinc/34/56/85/947345685.db2.gz TYCVQVCIXZYRAO-HNNXBMFYSA-N -1 3 386.460 0.565 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000825875173 947352041 /nfs/dbraw/zinc/35/20/41/947352041.db2.gz CBFSUXPODQHJRP-UHFFFAOYSA-N -1 3 387.425 0.442 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000825875173 947352051 /nfs/dbraw/zinc/35/20/51/947352051.db2.gz CBFSUXPODQHJRP-UHFFFAOYSA-N -1 3 387.425 0.442 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)n(C)c1 ZINC000825875192 947352879 /nfs/dbraw/zinc/35/28/79/947352879.db2.gz DCPOGYUTULOHCC-UHFFFAOYSA-N -1 3 394.388 0.814 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)n(C)c1 ZINC000825875192 947352892 /nfs/dbraw/zinc/35/28/92/947352892.db2.gz DCPOGYUTULOHCC-UHFFFAOYSA-N -1 3 394.388 0.814 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000825875355 947352992 /nfs/dbraw/zinc/35/29/92/947352992.db2.gz MHRSKPWANOOELZ-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000825875355 947353002 /nfs/dbraw/zinc/35/30/02/947353002.db2.gz MHRSKPWANOOELZ-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573593074 947362167 /nfs/dbraw/zinc/36/21/67/947362167.db2.gz PYINKCSJEVNBKD-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573593074 947362178 /nfs/dbraw/zinc/36/21/78/947362178.db2.gz PYINKCSJEVNBKD-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825897866 947363283 /nfs/dbraw/zinc/36/32/83/947363283.db2.gz OZKBBJHCDPPUOM-INIZCTEOSA-N -1 3 388.472 0.717 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573593427 947370970 /nfs/dbraw/zinc/37/09/70/947370970.db2.gz SXXAPSWVQWEGKQ-PWSUYJOCSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573593427 947370981 /nfs/dbraw/zinc/37/09/81/947370981.db2.gz SXXAPSWVQWEGKQ-PWSUYJOCSA-N -1 3 375.433 0.132 20 0 GCADHM CN(CCS(C)(=O)=O)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825946088 947381763 /nfs/dbraw/zinc/38/17/63/947381763.db2.gz IALQFIGMZAXCHL-UHFFFAOYSA-N -1 3 375.458 0.744 20 0 GCADHM CN(CCS(C)(=O)=O)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825946088 947381772 /nfs/dbraw/zinc/38/17/72/947381772.db2.gz IALQFIGMZAXCHL-UHFFFAOYSA-N -1 3 375.458 0.744 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573594063 947387756 /nfs/dbraw/zinc/38/77/56/947387756.db2.gz WZCIRHZFGGHSHE-OCCSQVGLSA-N -1 3 392.485 0.333 20 0 GCADHM CN(Cc1ncc(Cl)n1C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825991529 947398029 /nfs/dbraw/zinc/39/80/29/947398029.db2.gz DTPALGQLPHZJBC-UHFFFAOYSA-N -1 3 392.782 0.990 20 0 GCADHM CN(Cc1ncc(Cl)n1C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825991529 947398043 /nfs/dbraw/zinc/39/80/43/947398043.db2.gz DTPALGQLPHZJBC-UHFFFAOYSA-N -1 3 392.782 0.990 20 0 GCADHM CN1C(=O)CN(CN2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)C1=O ZINC000826010089 947402240 /nfs/dbraw/zinc/40/22/40/947402240.db2.gz CEXMRTIRPGQUDN-UHFFFAOYSA-N -1 3 398.427 0.369 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573595132 947415222 /nfs/dbraw/zinc/41/52/22/947415222.db2.gz FPWBQUYGORSRDD-WDEREUQCSA-N -1 3 389.395 0.090 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573595132 947415224 /nfs/dbraw/zinc/41/52/24/947415224.db2.gz FPWBQUYGORSRDD-WDEREUQCSA-N -1 3 389.395 0.090 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573595494 947420492 /nfs/dbraw/zinc/42/04/92/947420492.db2.gz GKXDULYIADNIMI-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573595494 947420500 /nfs/dbraw/zinc/42/05/00/947420500.db2.gz GKXDULYIADNIMI-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)C(=O)N(C)C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573595663 947423397 /nfs/dbraw/zinc/42/33/97/947423397.db2.gz ZLTKWJXKPDVPPJ-LBPRGKRZSA-N -1 3 376.465 0.454 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573595671 947424716 /nfs/dbraw/zinc/42/47/16/947424716.db2.gz HHNYEHRDYBTYNV-PWSUYJOCSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573595671 947424724 /nfs/dbraw/zinc/42/47/24/947424724.db2.gz HHNYEHRDYBTYNV-PWSUYJOCSA-N -1 3 377.449 0.426 20 0 GCADHM CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)ncn1 ZINC000826091222 947426603 /nfs/dbraw/zinc/42/66/03/947426603.db2.gz ZLXFGSKGJLNCDF-LLVKDONJSA-N -1 3 398.431 0.323 20 0 GCADHM CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)ncn1 ZINC000826091222 947426612 /nfs/dbraw/zinc/42/66/12/947426612.db2.gz ZLXFGSKGJLNCDF-LLVKDONJSA-N -1 3 398.431 0.323 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(F)F ZINC001573597351 947437121 /nfs/dbraw/zinc/43/71/21/947437121.db2.gz NWTPUIIOOWQTRA-RKDXNWHRSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(F)F ZINC001573597351 947437127 /nfs/dbraw/zinc/43/71/27/947437127.db2.gz NWTPUIIOOWQTRA-RKDXNWHRSA-N -1 3 385.375 0.035 20 0 GCADHM COC(=O)[C@]1(F)CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826123544 947440116 /nfs/dbraw/zinc/44/01/16/947440116.db2.gz GBOXAZSMMUNYPW-KSSFIOAISA-N -1 3 388.403 0.949 20 0 GCADHM COC(=O)[C@]1(F)CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826123544 947440124 /nfs/dbraw/zinc/44/01/24/947440124.db2.gz GBOXAZSMMUNYPW-KSSFIOAISA-N -1 3 388.403 0.949 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573597910 947440274 /nfs/dbraw/zinc/44/02/74/947440274.db2.gz PIMXQTYLUPXXGQ-YPMHNXCESA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573597910 947440281 /nfs/dbraw/zinc/44/02/81/947440281.db2.gz PIMXQTYLUPXXGQ-YPMHNXCESA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001573598316 947441799 /nfs/dbraw/zinc/44/17/99/947441799.db2.gz QBBQKZONHZXHKQ-BXUZGUMPSA-N -1 3 385.432 0.030 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001573598316 947441806 /nfs/dbraw/zinc/44/18/06/947441806.db2.gz QBBQKZONHZXHKQ-BXUZGUMPSA-N -1 3 385.432 0.030 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001573598759 947445604 /nfs/dbraw/zinc/44/56/04/947445604.db2.gz RFEVDHNLVBKBNT-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001573598759 947445609 /nfs/dbraw/zinc/44/56/09/947445609.db2.gz RFEVDHNLVBKBNT-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573599199 947451198 /nfs/dbraw/zinc/45/11/98/947451198.db2.gz VSQJWOZZZUVRRF-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573599199 947451209 /nfs/dbraw/zinc/45/12/09/947451209.db2.gz VSQJWOZZZUVRRF-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C1CC1 ZINC001573601733 947463177 /nfs/dbraw/zinc/46/31/77/947463177.db2.gz BASUPXUGLPKGDX-AWEZNQCLSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C1CC1 ZINC001573601733 947463185 /nfs/dbraw/zinc/46/31/85/947463185.db2.gz BASUPXUGLPKGDX-AWEZNQCLSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001573602898 947474466 /nfs/dbraw/zinc/47/44/66/947474466.db2.gz BGQLLXHCFMRNNH-GFCCVEGCSA-N -1 3 385.432 0.032 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001573602898 947474473 /nfs/dbraw/zinc/47/44/73/947474473.db2.gz BGQLLXHCFMRNNH-GFCCVEGCSA-N -1 3 385.432 0.032 20 0 GCADHM COCC[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(N)=O ZINC000826153948 947486669 /nfs/dbraw/zinc/48/66/69/947486669.db2.gz DTYZQFQKPJOCDF-MRVPVSSYSA-N -1 3 385.331 0.480 20 0 GCADHM COCC[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(N)=O ZINC000826153948 947486674 /nfs/dbraw/zinc/48/66/74/947486674.db2.gz DTYZQFQKPJOCDF-MRVPVSSYSA-N -1 3 385.331 0.480 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573603497 947489740 /nfs/dbraw/zinc/48/97/40/947489740.db2.gz LZMZNKOPGGOBKP-NSHDSACASA-N -1 3 385.432 0.262 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573603497 947489746 /nfs/dbraw/zinc/48/97/46/947489746.db2.gz LZMZNKOPGGOBKP-NSHDSACASA-N -1 3 385.432 0.262 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)Cc1cc(-c2nn[n-]n2)ccc1F)n1cncn1 ZINC001573604083 947504459 /nfs/dbraw/zinc/50/44/59/947504459.db2.gz RRQKMFAATXEVDS-GFCCVEGCSA-N -1 3 387.423 0.749 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCC(=O)N1 ZINC001573604386 947508458 /nfs/dbraw/zinc/50/84/58/947508458.db2.gz SUPOOGXSGBZDMT-YPMHNXCESA-N -1 3 391.501 0.733 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573604237 947508850 /nfs/dbraw/zinc/50/88/50/947508850.db2.gz MVHIAQPECHOMLU-GFCCVEGCSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573604237 947508854 /nfs/dbraw/zinc/50/88/54/947508854.db2.gz MVHIAQPECHOMLU-GFCCVEGCSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001573604451 947511632 /nfs/dbraw/zinc/51/16/32/947511632.db2.gz NQWMIVGEWLSONW-LLVKDONJSA-N -1 3 387.400 0.142 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001573604451 947511638 /nfs/dbraw/zinc/51/16/38/947511638.db2.gz NQWMIVGEWLSONW-LLVKDONJSA-N -1 3 387.400 0.142 20 0 GCADHM C[C@H](C(=O)N(C)c1cc(-c2nnn[n-]2)ccn1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001573605078 947524575 /nfs/dbraw/zinc/52/45/75/947524575.db2.gz UWCBCZUSYNPJNA-RAIGVLPGSA-N -1 3 383.412 0.788 20 0 GCADHM C[C@H](C(=O)N(C)c1cc(-c2nn[n-]n2)ccn1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001573605078 947524583 /nfs/dbraw/zinc/52/45/83/947524583.db2.gz UWCBCZUSYNPJNA-RAIGVLPGSA-N -1 3 383.412 0.788 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccnn1C ZINC001573605161 947525649 /nfs/dbraw/zinc/52/56/49/947525649.db2.gz YVBWANCRPCDISC-NSHDSACASA-N -1 3 385.432 0.262 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccnn1C ZINC001573605161 947525657 /nfs/dbraw/zinc/52/56/57/947525657.db2.gz YVBWANCRPCDISC-NSHDSACASA-N -1 3 385.432 0.262 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccnn1C ZINC001573605160 947526535 /nfs/dbraw/zinc/52/65/35/947526535.db2.gz YVBWANCRPCDISC-LLVKDONJSA-N -1 3 385.432 0.262 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccnn1C ZINC001573605160 947526548 /nfs/dbraw/zinc/52/65/48/947526548.db2.gz YVBWANCRPCDISC-LLVKDONJSA-N -1 3 385.432 0.262 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573605658 947532141 /nfs/dbraw/zinc/53/21/41/947532141.db2.gz YFTQHQRXADQHCO-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573605658 947532153 /nfs/dbraw/zinc/53/21/53/947532153.db2.gz YFTQHQRXADQHCO-LLVKDONJSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccn1 ZINC001573605360 947532366 /nfs/dbraw/zinc/53/23/66/947532366.db2.gz WXZMRGWXSLCQST-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccn1 ZINC001573605360 947532375 /nfs/dbraw/zinc/53/23/75/947532375.db2.gz WXZMRGWXSLCQST-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573606908 947533653 /nfs/dbraw/zinc/53/36/53/947533653.db2.gz AMEDCZLJLLHHSJ-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573606908 947533661 /nfs/dbraw/zinc/53/36/61/947533661.db2.gz AMEDCZLJLLHHSJ-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573607203 947543584 /nfs/dbraw/zinc/54/35/84/947543584.db2.gz HCMMIHCNCSPGGN-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573607203 947543589 /nfs/dbraw/zinc/54/35/89/947543589.db2.gz HCMMIHCNCSPGGN-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573607290 947544830 /nfs/dbraw/zinc/54/48/30/947544830.db2.gz JBPUMNLAAPVSHV-SNVBAGLBSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573607290 947544839 /nfs/dbraw/zinc/54/48/39/947544839.db2.gz JBPUMNLAAPVSHV-SNVBAGLBSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F)C(C)(F)F ZINC001573608209 947556471 /nfs/dbraw/zinc/55/64/71/947556471.db2.gz WFGGCTLJQCXDMG-VIFPVBQESA-N -1 3 387.366 0.925 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F)C(C)(F)F ZINC001573608209 947556485 /nfs/dbraw/zinc/55/64/85/947556485.db2.gz WFGGCTLJQCXDMG-VIFPVBQESA-N -1 3 387.366 0.925 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000826184862 947565759 /nfs/dbraw/zinc/56/57/59/947565759.db2.gz NPHBMDRHHNLAGC-FZQKWOKYSA-N -1 3 388.428 0.990 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000826184862 947565770 /nfs/dbraw/zinc/56/57/70/947565770.db2.gz NPHBMDRHHNLAGC-FZQKWOKYSA-N -1 3 388.428 0.990 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000826184864 947566488 /nfs/dbraw/zinc/56/64/88/947566488.db2.gz NPHBMDRHHNLAGC-OWYVNGRQSA-N -1 3 388.428 0.990 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000826184864 947566494 /nfs/dbraw/zinc/56/64/94/947566494.db2.gz NPHBMDRHHNLAGC-OWYVNGRQSA-N -1 3 388.428 0.990 20 0 GCADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCCC1 ZINC001573613726 947569447 /nfs/dbraw/zinc/56/94/47/947569447.db2.gz HLYRJGVKKUSFFU-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCCC1 ZINC001573613726 947569455 /nfs/dbraw/zinc/56/94/55/947569455.db2.gz HLYRJGVKKUSFFU-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573613700 947569747 /nfs/dbraw/zinc/56/97/47/947569747.db2.gz GUBQNHNQRSIBRP-SJCJKPOMSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573613700 947569754 /nfs/dbraw/zinc/56/97/54/947569754.db2.gz GUBQNHNQRSIBRP-SJCJKPOMSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573614213 947581295 /nfs/dbraw/zinc/58/12/95/947581295.db2.gz DEZTXLDKPCVSQS-CHWSQXEVSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573614213 947581301 /nfs/dbraw/zinc/58/13/01/947581301.db2.gz DEZTXLDKPCVSQS-CHWSQXEVSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573614509 947585809 /nfs/dbraw/zinc/58/58/09/947585809.db2.gz MPGCGXDPHUUQEI-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573614509 947585817 /nfs/dbraw/zinc/58/58/17/947585817.db2.gz MPGCGXDPHUUQEI-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573614901 947594870 /nfs/dbraw/zinc/59/48/70/947594870.db2.gz BLFKBOHTYGVTLO-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573614901 947594878 /nfs/dbraw/zinc/59/48/78/947594878.db2.gz BLFKBOHTYGVTLO-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573614897 947594946 /nfs/dbraw/zinc/59/49/46/947594946.db2.gz BLDPQFLXCPQFGA-RYUDHWBXSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573614897 947594954 /nfs/dbraw/zinc/59/49/54/947594954.db2.gz BLDPQFLXCPQFGA-RYUDHWBXSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573615361 947603664 /nfs/dbraw/zinc/60/36/64/947603664.db2.gz DNXBHSRZGFSBOC-CHWSQXEVSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573615361 947603677 /nfs/dbraw/zinc/60/36/77/947603677.db2.gz DNXBHSRZGFSBOC-CHWSQXEVSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573615366 947604376 /nfs/dbraw/zinc/60/43/76/947604376.db2.gz DNXBHSRZGFSBOC-QWHCGFSZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573615366 947604383 /nfs/dbraw/zinc/60/43/83/947604383.db2.gz DNXBHSRZGFSBOC-QWHCGFSZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573615370 947604712 /nfs/dbraw/zinc/60/47/12/947604712.db2.gz DNXBHSRZGFSBOC-STQMWFEESA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573615370 947604715 /nfs/dbraw/zinc/60/47/15/947604715.db2.gz DNXBHSRZGFSBOC-STQMWFEESA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2)C1CC1 ZINC001573615617 947607209 /nfs/dbraw/zinc/60/72/09/947607209.db2.gz TZERAPQIYOYEGU-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2)C1CC1 ZINC001573615617 947607215 /nfs/dbraw/zinc/60/72/15/947607215.db2.gz TZERAPQIYOYEGU-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573616424 947621494 /nfs/dbraw/zinc/62/14/94/947621494.db2.gz IMEFISQFGAHZEN-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573616424 947621504 /nfs/dbraw/zinc/62/15/04/947621504.db2.gz IMEFISQFGAHZEN-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573616884 947630045 /nfs/dbraw/zinc/63/00/45/947630045.db2.gz JSAZRTBINALHOS-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573616884 947630051 /nfs/dbraw/zinc/63/00/51/947630051.db2.gz JSAZRTBINALHOS-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573617529 947638991 /nfs/dbraw/zinc/63/89/91/947638991.db2.gz LZWAEEBEDFGAIW-AAEUAGOBSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573617529 947639009 /nfs/dbraw/zinc/63/90/09/947639009.db2.gz LZWAEEBEDFGAIW-AAEUAGOBSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573617532 947639902 /nfs/dbraw/zinc/63/99/02/947639902.db2.gz LZWAEEBEDFGAIW-DGCLKSJQSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573617532 947639910 /nfs/dbraw/zinc/63/99/10/947639910.db2.gz LZWAEEBEDFGAIW-DGCLKSJQSA-N -1 3 385.407 0.896 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573617702 947640740 /nfs/dbraw/zinc/64/07/40/947640740.db2.gz MPKRLNQXMPDTAU-MNOVXSKESA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573617702 947640747 /nfs/dbraw/zinc/64/07/47/947640747.db2.gz MPKRLNQXMPDTAU-MNOVXSKESA-N -1 3 383.416 0.063 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573355378 947643425 /nfs/dbraw/zinc/64/34/25/947643425.db2.gz OMGPASVBGGTWQN-ZDUSSCGKSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573355378 947643434 /nfs/dbraw/zinc/64/34/34/947643434.db2.gz OMGPASVBGGTWQN-ZDUSSCGKSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573618287 947648239 /nfs/dbraw/zinc/64/82/39/947648239.db2.gz QFOHTJSIHSVMBU-GWCFXTLKSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573618287 947648249 /nfs/dbraw/zinc/64/82/49/947648249.db2.gz QFOHTJSIHSVMBU-GWCFXTLKSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573618895 947657286 /nfs/dbraw/zinc/65/72/86/947657286.db2.gz SQINUMMDUFMJQZ-GTNSWQLSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573618895 947657293 /nfs/dbraw/zinc/65/72/93/947657293.db2.gz SQINUMMDUFMJQZ-GTNSWQLSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001573619593 947667537 /nfs/dbraw/zinc/66/75/37/947667537.db2.gz VYKDDTLQZWSEBN-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001573619593 947667544 /nfs/dbraw/zinc/66/75/44/947667544.db2.gz VYKDDTLQZWSEBN-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCCO1 ZINC001573619595 947667820 /nfs/dbraw/zinc/66/78/20/947667820.db2.gz VYKDDTLQZWSEBN-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCCO1 ZINC001573619595 947667829 /nfs/dbraw/zinc/66/78/29/947667829.db2.gz VYKDDTLQZWSEBN-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CN(C)c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573620351 947678117 /nfs/dbraw/zinc/67/81/17/947678117.db2.gz ZSFSANHYNBYZFB-CHWSQXEVSA-N -1 3 382.432 0.399 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CN(C)c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573620351 947678125 /nfs/dbraw/zinc/67/81/25/947678125.db2.gz ZSFSANHYNBYZFB-CHWSQXEVSA-N -1 3 382.432 0.399 20 0 GCADHM C[C@H]1CN(CCC(=O)Nc2ccccc2-c2nnn[n-]2)CCN1S(C)(=O)=O ZINC000826232391 947680308 /nfs/dbraw/zinc/68/03/08/947680308.db2.gz HVHMSCSXSCGONT-LBPRGKRZSA-N -1 3 393.473 0.161 20 0 GCADHM C[C@H]1CN(CCC(=O)Nc2ccccc2-c2nn[n-]n2)CCN1S(C)(=O)=O ZINC000826232391 947680315 /nfs/dbraw/zinc/68/03/15/947680315.db2.gz HVHMSCSXSCGONT-LBPRGKRZSA-N -1 3 393.473 0.161 20 0 GCADHM C[C@H]1CN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CCN1S(C)(=O)=O ZINC000826232501 947680330 /nfs/dbraw/zinc/68/03/30/947680330.db2.gz RHEBAPXCYANSPM-NSHDSACASA-N -1 3 379.446 0.042 20 0 GCADHM C[C@H]1CN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CCN1S(C)(=O)=O ZINC000826232501 947680337 /nfs/dbraw/zinc/68/03/37/947680337.db2.gz RHEBAPXCYANSPM-NSHDSACASA-N -1 3 379.446 0.042 20 0 GCADHM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC(=O)N(C)C2)c1-c1nnn[n-]1 ZINC000826233768 947684714 /nfs/dbraw/zinc/68/47/14/947684714.db2.gz VHEKGIQUVZUMPW-UHFFFAOYSA-N -1 3 398.427 0.596 20 0 GCADHM Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC000826233768 947684719 /nfs/dbraw/zinc/68/47/19/947684719.db2.gz VHEKGIQUVZUMPW-UHFFFAOYSA-N -1 3 398.427 0.596 20 0 GCADHM C[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573623477 947687410 /nfs/dbraw/zinc/68/74/10/947687410.db2.gz GEWUYSGIOQXCJN-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573623477 947687416 /nfs/dbraw/zinc/68/74/16/947687416.db2.gz GEWUYSGIOQXCJN-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573623655 947690174 /nfs/dbraw/zinc/69/01/74/947690174.db2.gz HMFZZHIMBVKEIQ-OLZOCXBDSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573623655 947690185 /nfs/dbraw/zinc/69/01/85/947690185.db2.gz HMFZZHIMBVKEIQ-OLZOCXBDSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CCC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001573623644 947690968 /nfs/dbraw/zinc/69/09/68/947690968.db2.gz HGRFPTJSYLOLGT-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001573623644 947690970 /nfs/dbraw/zinc/69/09/70/947690970.db2.gz HGRFPTJSYLOLGT-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573624026 947693992 /nfs/dbraw/zinc/69/39/92/947693992.db2.gz JIMFNCADFBQDLS-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573624026 947694002 /nfs/dbraw/zinc/69/40/02/947694002.db2.gz JIMFNCADFBQDLS-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573624793 947697489 /nfs/dbraw/zinc/69/74/89/947697489.db2.gz LWYKOYINAZYRBB-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573624793 947697495 /nfs/dbraw/zinc/69/74/95/947697495.db2.gz LWYKOYINAZYRBB-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573625204 947698844 /nfs/dbraw/zinc/69/88/44/947698844.db2.gz NUUCBQZUDIOUCI-TZMCWYRMSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573625204 947698856 /nfs/dbraw/zinc/69/88/56/947698856.db2.gz NUUCBQZUDIOUCI-TZMCWYRMSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573625541 947700707 /nfs/dbraw/zinc/70/07/07/947700707.db2.gz OSWYOZFMTRWQGV-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573625541 947700712 /nfs/dbraw/zinc/70/07/12/947700712.db2.gz OSWYOZFMTRWQGV-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001573625904 947702933 /nfs/dbraw/zinc/70/29/33/947702933.db2.gz PYYSTWPCOGDTKM-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001573625904 947702943 /nfs/dbraw/zinc/70/29/43/947702943.db2.gz PYYSTWPCOGDTKM-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573626637 947714488 /nfs/dbraw/zinc/71/44/88/947714488.db2.gz WVGWUSGVMWMCJN-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573626637 947714494 /nfs/dbraw/zinc/71/44/94/947714494.db2.gz WVGWUSGVMWMCJN-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCCCCC1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573627389 947722469 /nfs/dbraw/zinc/72/24/69/947722469.db2.gz APGFWYOXUZGBKI-ZDUSSCGKSA-N -1 3 388.476 0.648 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000826247317 947725023 /nfs/dbraw/zinc/72/50/23/947725023.db2.gz ZNVMGCPUXCMLBN-HNNXBMFYSA-N -1 3 394.439 0.830 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000826247317 947725034 /nfs/dbraw/zinc/72/50/34/947725034.db2.gz ZNVMGCPUXCMLBN-HNNXBMFYSA-N -1 3 394.439 0.830 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573627669 947728599 /nfs/dbraw/zinc/72/85/99/947728599.db2.gz DPOJWGMBUXCRLL-JSGCOSHPSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573627669 947728602 /nfs/dbraw/zinc/72/86/02/947728602.db2.gz DPOJWGMBUXCRLL-JSGCOSHPSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573627670 947730967 /nfs/dbraw/zinc/73/09/67/947730967.db2.gz DPOJWGMBUXCRLL-OCCSQVGLSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573627670 947730970 /nfs/dbraw/zinc/73/09/70/947730970.db2.gz DPOJWGMBUXCRLL-OCCSQVGLSA-N -1 3 382.432 0.542 20 0 GCADHM CC(=O)CCCC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573367427 947759879 /nfs/dbraw/zinc/75/98/79/947759879.db2.gz CYWZPWUJZQCMOK-UHFFFAOYSA-N -1 3 375.433 0.875 20 0 GCADHM CC(=O)CCCC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573367427 947759885 /nfs/dbraw/zinc/75/98/85/947759885.db2.gz CYWZPWUJZQCMOK-UHFFFAOYSA-N -1 3 375.433 0.875 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573367776 947763530 /nfs/dbraw/zinc/76/35/30/947763530.db2.gz IDXJRRGGQAEXKH-CQSZACIVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573367776 947763535 /nfs/dbraw/zinc/76/35/35/947763535.db2.gz IDXJRRGGQAEXKH-CQSZACIVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573367934 947765180 /nfs/dbraw/zinc/76/51/80/947765180.db2.gz JAMMMOVHAFUDBQ-WCQYABFASA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573367934 947765185 /nfs/dbraw/zinc/76/51/85/947765185.db2.gz JAMMMOVHAFUDBQ-WCQYABFASA-N -1 3 387.444 0.778 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573628817 947765912 /nfs/dbraw/zinc/76/59/12/947765912.db2.gz OHHHBKJUPVADFS-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573628817 947765919 /nfs/dbraw/zinc/76/59/19/947765919.db2.gz OHHHBKJUPVADFS-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573629053 947770981 /nfs/dbraw/zinc/77/09/81/947770981.db2.gz QJCXRWSKHNDKFN-QWHCGFSZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573629053 947770988 /nfs/dbraw/zinc/77/09/88/947770988.db2.gz QJCXRWSKHNDKFN-QWHCGFSZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573629055 947771903 /nfs/dbraw/zinc/77/19/03/947771903.db2.gz QJCXRWSKHNDKFN-STQMWFEESA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CN(C)c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573629055 947771907 /nfs/dbraw/zinc/77/19/07/947771907.db2.gz QJCXRWSKHNDKFN-STQMWFEESA-N -1 3 382.432 0.542 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573369283 947773666 /nfs/dbraw/zinc/77/36/66/947773666.db2.gz TURQDOGGRYCDHI-GFCCVEGCSA-N -1 3 378.408 0.996 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573369283 947773668 /nfs/dbraw/zinc/77/36/68/947773668.db2.gz TURQDOGGRYCDHI-GFCCVEGCSA-N -1 3 378.408 0.996 20 0 GCADHM C[C@H](C(=O)N1CCCCCC1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573629828 947782987 /nfs/dbraw/zinc/78/29/87/947782987.db2.gz WCRYNTUFINSFIA-CYBMUJFWSA-N -1 3 388.476 0.648 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573372948 947786365 /nfs/dbraw/zinc/78/63/65/947786365.db2.gz GFPJBFFYAFWXHM-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573372948 947786370 /nfs/dbraw/zinc/78/63/70/947786370.db2.gz GFPJBFFYAFWXHM-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573630231 947788557 /nfs/dbraw/zinc/78/85/57/947788557.db2.gz WXZKYPZQNCBWDP-STQMWFEESA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573631373 947799064 /nfs/dbraw/zinc/79/90/64/947799064.db2.gz UUUFWZPJCFWEAE-MNOVXSKESA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573631373 947799069 /nfs/dbraw/zinc/79/90/69/947799069.db2.gz UUUFWZPJCFWEAE-MNOVXSKESA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573631371 947799193 /nfs/dbraw/zinc/79/91/93/947799193.db2.gz UUUFWZPJCFWEAE-GHMZBOCLSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573631371 947799200 /nfs/dbraw/zinc/79/92/00/947799200.db2.gz UUUFWZPJCFWEAE-GHMZBOCLSA-N -1 3 379.446 0.098 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001573373817 947800174 /nfs/dbraw/zinc/80/01/74/947800174.db2.gz GFHSJAOAIBMSBM-FZMZJTMJSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001573373817 947800184 /nfs/dbraw/zinc/80/01/84/947800184.db2.gz GFHSJAOAIBMSBM-FZMZJTMJSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573374022 947802368 /nfs/dbraw/zinc/80/23/68/947802368.db2.gz LZUZTIXXYIGRJC-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573374022 947802377 /nfs/dbraw/zinc/80/23/77/947802377.db2.gz LZUZTIXXYIGRJC-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573631811 947804885 /nfs/dbraw/zinc/80/48/85/947804885.db2.gz WZJWRSQUSOBVQY-PWSUYJOCSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573631811 947804892 /nfs/dbraw/zinc/80/48/92/947804892.db2.gz WZJWRSQUSOBVQY-PWSUYJOCSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573632062 947806837 /nfs/dbraw/zinc/80/68/37/947806837.db2.gz YQOHUSYOFYZJTR-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573632062 947806846 /nfs/dbraw/zinc/80/68/46/947806846.db2.gz YQOHUSYOFYZJTR-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccn1 ZINC001573637688 947821655 /nfs/dbraw/zinc/82/16/55/947821655.db2.gz NCKNOHBNJZODRU-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccn1 ZINC001573637688 947821659 /nfs/dbraw/zinc/82/16/59/947821659.db2.gz NCKNOHBNJZODRU-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM CC(=O)CCCC(=O)NC1(CCO)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573375850 947825761 /nfs/dbraw/zinc/82/57/61/947825761.db2.gz QQBPHHMZXVXIGI-UHFFFAOYSA-N -1 3 386.456 0.679 20 0 GCADHM CC(=O)CCCC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573375850 947825773 /nfs/dbraw/zinc/82/57/73/947825773.db2.gz QQBPHHMZXVXIGI-UHFFFAOYSA-N -1 3 386.456 0.679 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573375956 947827501 /nfs/dbraw/zinc/82/75/01/947827501.db2.gz VAGOMXYNABPJMF-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573375956 947827508 /nfs/dbraw/zinc/82/75/08/947827508.db2.gz VAGOMXYNABPJMF-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573376209 947831123 /nfs/dbraw/zinc/83/11/23/947831123.db2.gz UDBNWZYVOCYFRB-GOSISDBHSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573376209 947831132 /nfs/dbraw/zinc/83/11/32/947831132.db2.gz UDBNWZYVOCYFRB-GOSISDBHSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001573376299 947834122 /nfs/dbraw/zinc/83/41/22/947834122.db2.gz YBVGQVXHMFJJBZ-BXUZGUMPSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001573376299 947834132 /nfs/dbraw/zinc/83/41/32/947834132.db2.gz YBVGQVXHMFJJBZ-BXUZGUMPSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cccnc1 ZINC001573638080 947834484 /nfs/dbraw/zinc/83/44/84/947834484.db2.gz BZTXCBZFASDCCN-GFCCVEGCSA-N -1 3 380.412 0.678 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cccnc1 ZINC001573638080 947834489 /nfs/dbraw/zinc/83/44/89/947834489.db2.gz BZTXCBZFASDCCN-GFCCVEGCSA-N -1 3 380.412 0.678 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)C1 ZINC001573376302 947835060 /nfs/dbraw/zinc/83/50/60/947835060.db2.gz YBVGQVXHMFJJBZ-SMDDNHRTSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)C1 ZINC001573376302 947835068 /nfs/dbraw/zinc/83/50/68/947835068.db2.gz YBVGQVXHMFJJBZ-SMDDNHRTSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)C1 ZINC001573376300 947835118 /nfs/dbraw/zinc/83/51/18/947835118.db2.gz YBVGQVXHMFJJBZ-FZMZJTMJSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)C1 ZINC001573376300 947835125 /nfs/dbraw/zinc/83/51/25/947835125.db2.gz YBVGQVXHMFJJBZ-FZMZJTMJSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H](C(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573638211 947835895 /nfs/dbraw/zinc/83/58/95/947835895.db2.gz JPRKWSDDYAQZBD-GFCCVEGCSA-N -1 3 385.407 0.503 20 0 GCADHM C[C@H](C(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573638211 947835900 /nfs/dbraw/zinc/83/59/00/947835900.db2.gz JPRKWSDDYAQZBD-GFCCVEGCSA-N -1 3 385.407 0.503 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573376360 947835917 /nfs/dbraw/zinc/83/59/17/947835917.db2.gz VCVHRVYQFPJIQI-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573376360 947835922 /nfs/dbraw/zinc/83/59/22/947835922.db2.gz VCVHRVYQFPJIQI-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@H](C(=O)N1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001573638162 947836379 /nfs/dbraw/zinc/83/63/79/947836379.db2.gz HNPRVSBIDXVWBS-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@H](C(=O)N1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001573638162 947836383 /nfs/dbraw/zinc/83/63/83/947836383.db2.gz HNPRVSBIDXVWBS-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573376546 947837921 /nfs/dbraw/zinc/83/79/21/947837921.db2.gz AAIPNEIGOJODLA-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573376546 947837929 /nfs/dbraw/zinc/83/79/29/947837929.db2.gz AAIPNEIGOJODLA-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573376927 947844030 /nfs/dbraw/zinc/84/40/30/947844030.db2.gz FMKSOCLGXWYNBK-CYBMUJFWSA-N -1 3 391.407 0.799 20 0 GCADHM CC(=O)CCCC(=O)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573376927 947844041 /nfs/dbraw/zinc/84/40/41/947844041.db2.gz FMKSOCLGXWYNBK-CYBMUJFWSA-N -1 3 391.407 0.799 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573377588 947850838 /nfs/dbraw/zinc/85/08/38/947850838.db2.gz OXGCNLOSHDDWDC-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573377588 947850847 /nfs/dbraw/zinc/85/08/47/947850847.db2.gz OXGCNLOSHDDWDC-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H](C(=O)N1CCOC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1)C1CC1 ZINC001573640582 947852806 /nfs/dbraw/zinc/85/28/06/947852806.db2.gz IHEWYLXJEARYTN-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](C(=O)N1CCOC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1)C1CC1 ZINC001573640582 947852809 /nfs/dbraw/zinc/85/28/09/947852809.db2.gz IHEWYLXJEARYTN-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573640962 947854958 /nfs/dbraw/zinc/85/49/58/947854958.db2.gz KKEZZKXYIZXQJF-STQMWFEESA-N -1 3 383.416 0.359 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573640962 947854967 /nfs/dbraw/zinc/85/49/67/947854967.db2.gz KKEZZKXYIZXQJF-STQMWFEESA-N -1 3 383.416 0.359 20 0 GCADHM CC(=O)CCCC(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573380502 947858394 /nfs/dbraw/zinc/85/83/94/947858394.db2.gz DFHIODKJRQOCJF-UHFFFAOYSA-N -1 3 390.419 0.428 20 0 GCADHM CC(=O)CCCC(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573380502 947858398 /nfs/dbraw/zinc/85/83/98/947858398.db2.gz DFHIODKJRQOCJF-UHFFFAOYSA-N -1 3 390.419 0.428 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573380746 947863476 /nfs/dbraw/zinc/86/34/76/947863476.db2.gz HHVPGXGQBKEEET-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573380746 947863481 /nfs/dbraw/zinc/86/34/81/947863481.db2.gz HHVPGXGQBKEEET-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001573380846 947865666 /nfs/dbraw/zinc/86/56/66/947865666.db2.gz IJUDWAZNIYXLKH-GJZGRUSLSA-N -1 3 387.444 0.385 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573380846 947865672 /nfs/dbraw/zinc/86/56/72/947865672.db2.gz IJUDWAZNIYXLKH-GJZGRUSLSA-N -1 3 387.444 0.385 20 0 GCADHM C[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573644083 947866823 /nfs/dbraw/zinc/86/68/23/947866823.db2.gz XXYNGXRBCKDCQO-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573644083 947866840 /nfs/dbraw/zinc/86/68/40/947866840.db2.gz XXYNGXRBCKDCQO-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573381445 947874662 /nfs/dbraw/zinc/87/46/62/947874662.db2.gz VLTCWBAFTCROOT-AWEZNQCLSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573381445 947874670 /nfs/dbraw/zinc/87/46/70/947874670.db2.gz VLTCWBAFTCROOT-AWEZNQCLSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573381936 947881449 /nfs/dbraw/zinc/88/14/49/947881449.db2.gz ZWOUPICEHVOZAS-OLZOCXBDSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573381936 947881453 /nfs/dbraw/zinc/88/14/53/947881453.db2.gz ZWOUPICEHVOZAS-OLZOCXBDSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573382859 947888267 /nfs/dbraw/zinc/88/82/67/947888267.db2.gz LKGQQPYYXSXDFC-QWHCGFSZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573382859 947888281 /nfs/dbraw/zinc/88/82/81/947888281.db2.gz LKGQQPYYXSXDFC-QWHCGFSZSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)n1cccn1 ZINC001573647550 947896203 /nfs/dbraw/zinc/89/62/03/947896203.db2.gz ORASUKDFNCKZHX-AEGPPILISA-N -1 3 379.428 0.614 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)n1cccn1 ZINC001573647550 947896212 /nfs/dbraw/zinc/89/62/12/947896212.db2.gz ORASUKDFNCKZHX-AEGPPILISA-N -1 3 379.428 0.614 20 0 GCADHM Cc1ccnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826310662 947897172 /nfs/dbraw/zinc/89/71/72/947897172.db2.gz CXSMLKFGCDATDW-UHFFFAOYSA-N -1 3 395.489 0.447 20 0 GCADHM Cc1ccnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826310662 947897180 /nfs/dbraw/zinc/89/71/80/947897180.db2.gz CXSMLKFGCDATDW-UHFFFAOYSA-N -1 3 395.489 0.447 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647745 947902599 /nfs/dbraw/zinc/90/25/99/947902599.db2.gz SQOGCUOONQXVLT-ZJOBFFGXSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647745 947902611 /nfs/dbraw/zinc/90/26/11/947902611.db2.gz SQOGCUOONQXVLT-ZJOBFFGXSA-N -1 3 383.456 0.971 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001573384889 947908522 /nfs/dbraw/zinc/90/85/22/947908522.db2.gz ZWBPMACVFXKUBR-HZPDHXFCSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573384889 947908525 /nfs/dbraw/zinc/90/85/25/947908525.db2.gz ZWBPMACVFXKUBR-HZPDHXFCSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573387787 947912056 /nfs/dbraw/zinc/91/20/56/947912056.db2.gz DIKIJDVHORNBSA-QMTHXVAHSA-N -1 3 375.408 0.743 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573387787 947912064 /nfs/dbraw/zinc/91/20/64/947912064.db2.gz DIKIJDVHORNBSA-QMTHXVAHSA-N -1 3 375.408 0.743 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573388140 947916958 /nfs/dbraw/zinc/91/69/58/947916958.db2.gz IMDQLPASCRHARB-RISCZKNCSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573388140 947916963 /nfs/dbraw/zinc/91/69/63/947916963.db2.gz IMDQLPASCRHARB-RISCZKNCSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573388348 947919422 /nfs/dbraw/zinc/91/94/22/947919422.db2.gz LFQBWVJVLYJNDS-CQSZACIVSA-N -1 3 389.435 0.517 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573388348 947919426 /nfs/dbraw/zinc/91/94/26/947919426.db2.gz LFQBWVJVLYJNDS-CQSZACIVSA-N -1 3 389.435 0.517 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(F)F ZINC001573651283 947919547 /nfs/dbraw/zinc/91/95/47/947919547.db2.gz KYOSCRCWAVPUPB-GUBZILKMSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(F)F ZINC001573651283 947919551 /nfs/dbraw/zinc/91/95/51/947919551.db2.gz KYOSCRCWAVPUPB-GUBZILKMSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573651523 947921295 /nfs/dbraw/zinc/92/12/95/947921295.db2.gz NADBSGGJUOSCFY-AVGNSLFASA-N -1 3 380.412 0.683 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573651523 947921305 /nfs/dbraw/zinc/92/13/05/947921305.db2.gz NADBSGGJUOSCFY-AVGNSLFASA-N -1 3 380.412 0.683 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573651694 947924184 /nfs/dbraw/zinc/92/41/84/947924184.db2.gz PCGZRDRRXBSNAB-MUYACECFSA-N -1 3 380.412 0.444 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573651694 947924198 /nfs/dbraw/zinc/92/41/98/947924198.db2.gz PCGZRDRRXBSNAB-MUYACECFSA-N -1 3 380.412 0.444 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573389995 947927741 /nfs/dbraw/zinc/92/77/41/947927741.db2.gz VSSDRZOUXJLHNQ-SMDDNHRTSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573389995 947927748 /nfs/dbraw/zinc/92/77/48/947927748.db2.gz VSSDRZOUXJLHNQ-SMDDNHRTSA-N -1 3 386.460 0.555 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccn1 ZINC001573652108 947929893 /nfs/dbraw/zinc/92/98/93/947929893.db2.gz AZGUNOKHSSLIRY-IINYFYTJSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccn1 ZINC001573652108 947929901 /nfs/dbraw/zinc/92/99/01/947929901.db2.gz AZGUNOKHSSLIRY-IINYFYTJSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)n1cncn1 ZINC001573652210 947931759 /nfs/dbraw/zinc/93/17/59/947931759.db2.gz BJMQNLVGJXMVLP-APPDUMDISA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](C(=O)N[C@](C)(CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)n1cncn1 ZINC001573652210 947931767 /nfs/dbraw/zinc/93/17/67/947931767.db2.gz BJMQNLVGJXMVLP-APPDUMDISA-N -1 3 382.432 0.811 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573391412 947933511 /nfs/dbraw/zinc/93/35/11/947933511.db2.gz HDRXPRKWUOYMKM-HNNXBMFYSA-N -1 3 386.460 0.557 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573391412 947933520 /nfs/dbraw/zinc/93/35/20/947933520.db2.gz HDRXPRKWUOYMKM-HNNXBMFYSA-N -1 3 386.460 0.557 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573652280 947933704 /nfs/dbraw/zinc/93/37/04/947933704.db2.gz WROINSMMTACELF-UBHSHLNASA-N -1 3 379.428 0.588 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573652280 947933708 /nfs/dbraw/zinc/93/37/08/947933708.db2.gz WROINSMMTACELF-UBHSHLNASA-N -1 3 379.428 0.588 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573652352 947935149 /nfs/dbraw/zinc/93/51/49/947935149.db2.gz XWGLLOSCXYBTHL-CQDKDKBSSA-N -1 3 390.469 0.085 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573391750 947935898 /nfs/dbraw/zinc/93/58/98/947935898.db2.gz JDGSTCXYUXIRLS-GFCCVEGCSA-N -1 3 392.489 0.537 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573652421 947937306 /nfs/dbraw/zinc/93/73/06/947937306.db2.gz ZKCZYYWMEONBMO-MIMYLULJSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573652421 947937312 /nfs/dbraw/zinc/93/73/12/947937312.db2.gz ZKCZYYWMEONBMO-MIMYLULJSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(F)F ZINC001573652405 947938452 /nfs/dbraw/zinc/93/84/52/947938452.db2.gz ZEFZYGQHXFMNPP-XBWDGYHZSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(F)F ZINC001573652405 947938457 /nfs/dbraw/zinc/93/84/57/947938457.db2.gz ZEFZYGQHXFMNPP-XBWDGYHZSA-N -1 3 379.371 0.673 20 0 GCADHM Cc1csc2ncc(C(=O)OCCNc3ncccc3-c3nnn[n-]3)c(=O)n12 ZINC000826320972 947939328 /nfs/dbraw/zinc/93/93/28/947939328.db2.gz MHJXFWNCIQLBOM-UHFFFAOYSA-N -1 3 398.408 0.908 20 0 GCADHM Cc1csc2ncc(C(=O)OCCNc3ncccc3-c3nn[n-]n3)c(=O)n12 ZINC000826320972 947939332 /nfs/dbraw/zinc/93/93/32/947939332.db2.gz MHJXFWNCIQLBOM-UHFFFAOYSA-N -1 3 398.408 0.908 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001573392128 947941959 /nfs/dbraw/zinc/94/19/59/947941959.db2.gz SYFDSCCOEPQCQB-WFASDCNBSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001573392128 947941970 /nfs/dbraw/zinc/94/19/70/947941970.db2.gz SYFDSCCOEPQCQB-WFASDCNBSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573392110 947942607 /nfs/dbraw/zinc/94/26/07/947942607.db2.gz SFZPYZXLBYMXRA-BLLLJJGKSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573392110 947942614 /nfs/dbraw/zinc/94/26/14/947942614.db2.gz SFZPYZXLBYMXRA-BLLLJJGKSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001573392182 947944071 /nfs/dbraw/zinc/94/40/71/947944071.db2.gz VHGJXAKYRXFXQN-LSDHHAIUSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001573392182 947944077 /nfs/dbraw/zinc/94/40/77/947944077.db2.gz VHGJXAKYRXFXQN-LSDHHAIUSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573392404 947946460 /nfs/dbraw/zinc/94/64/60/947946460.db2.gz AQCXGODNFKRLQT-GXTWGEPZSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573392404 947946463 /nfs/dbraw/zinc/94/64/63/947946463.db2.gz AQCXGODNFKRLQT-GXTWGEPZSA-N -1 3 386.460 0.697 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573652738 947946491 /nfs/dbraw/zinc/94/64/91/947946491.db2.gz HBFYTWKOCNAKMD-GFCCVEGCSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573652738 947946495 /nfs/dbraw/zinc/94/64/95/947946495.db2.gz HBFYTWKOCNAKMD-GFCCVEGCSA-N -1 3 388.476 0.646 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1C ZINC001573392424 947946557 /nfs/dbraw/zinc/94/65/57/947946557.db2.gz AUYHLVPQOFXJQG-GXTWGEPZSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1C ZINC001573392424 947946563 /nfs/dbraw/zinc/94/65/63/947946563.db2.gz AUYHLVPQOFXJQG-GXTWGEPZSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)[C@H](C)C1 ZINC001573392374 947946949 /nfs/dbraw/zinc/94/69/49/947946949.db2.gz AEPFUIYNWJTUQO-IAQYHMDHSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)[C@H](C)C1 ZINC001573392374 947946954 /nfs/dbraw/zinc/94/69/54/947946954.db2.gz AEPFUIYNWJTUQO-IAQYHMDHSA-N -1 3 386.460 0.697 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573652892 947948512 /nfs/dbraw/zinc/94/85/12/947948512.db2.gz HZGXDDKLWHFBIW-YPMHNXCESA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2[C@@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001573392460 947948665 /nfs/dbraw/zinc/94/86/65/947948665.db2.gz AYQJYMNCNJCQBD-ZFWWWQNUSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2[C@@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001573392460 947948671 /nfs/dbraw/zinc/94/86/71/947948671.db2.gz AYQJYMNCNJCQBD-ZFWWWQNUSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573392641 947948812 /nfs/dbraw/zinc/94/88/12/947948812.db2.gz CYMVURZYECWLEO-HUUCEWRRSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573392641 947948816 /nfs/dbraw/zinc/94/88/16/947948816.db2.gz CYMVURZYECWLEO-HUUCEWRRSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573392824 947951047 /nfs/dbraw/zinc/95/10/47/947951047.db2.gz FZKWMHUKXNYJTR-JSGCOSHPSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573392824 947951052 /nfs/dbraw/zinc/95/10/52/947951052.db2.gz FZKWMHUKXNYJTR-JSGCOSHPSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573393176 947954817 /nfs/dbraw/zinc/95/48/17/947954817.db2.gz KHGUSVVIXKLPRX-SWLSCSKDSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573393176 947954821 /nfs/dbraw/zinc/95/48/21/947954821.db2.gz KHGUSVVIXKLPRX-SWLSCSKDSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573393364 947956314 /nfs/dbraw/zinc/95/63/14/947956314.db2.gz KOYUFCZXBRMDBD-UHFFFAOYSA-N -1 3 390.423 0.530 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573393364 947956322 /nfs/dbraw/zinc/95/63/22/947956322.db2.gz KOYUFCZXBRMDBD-UHFFFAOYSA-N -1 3 390.423 0.530 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573393418 947956652 /nfs/dbraw/zinc/95/66/52/947956652.db2.gz MEQKQGPEUMBMLO-CMPLNLGQSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573393418 947956659 /nfs/dbraw/zinc/95/66/59/947956659.db2.gz MEQKQGPEUMBMLO-CMPLNLGQSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573393410 947956898 /nfs/dbraw/zinc/95/68/98/947956898.db2.gz LQZOHMMJIANDLK-MFKMUULPSA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573393410 947956903 /nfs/dbraw/zinc/95/69/03/947956903.db2.gz LQZOHMMJIANDLK-MFKMUULPSA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573393917 947960062 /nfs/dbraw/zinc/96/00/62/947960062.db2.gz QRBZNYVDKFPYBS-OCCSQVGLSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573393917 947960063 /nfs/dbraw/zinc/96/00/63/947960063.db2.gz QRBZNYVDKFPYBS-OCCSQVGLSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573393747 947960439 /nfs/dbraw/zinc/96/04/39/947960439.db2.gz PQSLRGWWNAATHJ-OCCSQVGLSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573393747 947960444 /nfs/dbraw/zinc/96/04/44/947960444.db2.gz PQSLRGWWNAATHJ-OCCSQVGLSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001573393988 947962745 /nfs/dbraw/zinc/96/27/45/947962745.db2.gz RNXILWZWTLPNQC-GASCZTMLSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001573393988 947962757 /nfs/dbraw/zinc/96/27/57/947962757.db2.gz RNXILWZWTLPNQC-GASCZTMLSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)[C@H]1C ZINC001573394402 947965077 /nfs/dbraw/zinc/96/50/77/947965077.db2.gz SXTFNBKGUGMQEU-MWLCHTKSSA-N -1 3 378.462 0.511 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573395658 947970749 /nfs/dbraw/zinc/97/07/49/947970749.db2.gz ZQCSBILAZUMCLP-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573395658 947970754 /nfs/dbraw/zinc/97/07/54/947970754.db2.gz ZQCSBILAZUMCLP-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573397766 947973774 /nfs/dbraw/zinc/97/37/74/947973774.db2.gz CYZPLPGOLYUDQM-VIFPVBQESA-N -1 3 380.840 0.334 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)CN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573397766 947973780 /nfs/dbraw/zinc/97/37/80/947973780.db2.gz CYZPLPGOLYUDQM-VIFPVBQESA-N -1 3 380.840 0.334 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573397586 947974136 /nfs/dbraw/zinc/97/41/36/947974136.db2.gz CGYJNUHEUIZMLP-MRXNPFEDSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573397586 947974152 /nfs/dbraw/zinc/97/41/52/947974152.db2.gz CGYJNUHEUIZMLP-MRXNPFEDSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573397605 947975080 /nfs/dbraw/zinc/97/50/80/947975080.db2.gz CPVDDKIWKLMRIA-RISCZKNCSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573397605 947975088 /nfs/dbraw/zinc/97/50/88/947975088.db2.gz CPVDDKIWKLMRIA-RISCZKNCSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573655399 947976550 /nfs/dbraw/zinc/97/65/50/947976550.db2.gz XEISNNRXNMYABZ-ZWNOBZJWSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573655399 947976559 /nfs/dbraw/zinc/97/65/59/947976559.db2.gz XEISNNRXNMYABZ-ZWNOBZJWSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573655417 947977556 /nfs/dbraw/zinc/97/75/56/947977556.db2.gz XHBUFYKZJGOYTJ-WCQYABFASA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573655417 947977565 /nfs/dbraw/zinc/97/75/65/947977565.db2.gz XHBUFYKZJGOYTJ-WCQYABFASA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573398336 947979511 /nfs/dbraw/zinc/97/95/11/947979511.db2.gz JRVFQSSSUOYAKI-ZJUUUORDSA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573398336 947979518 /nfs/dbraw/zinc/97/95/18/947979518.db2.gz JRVFQSSSUOYAKI-ZJUUUORDSA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001573398535 947982581 /nfs/dbraw/zinc/98/25/81/947982581.db2.gz MEURINPYTNFEAR-GUTXKFCHSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001573398535 947982585 /nfs/dbraw/zinc/98/25/85/947982585.db2.gz MEURINPYTNFEAR-GUTXKFCHSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573398481 947982764 /nfs/dbraw/zinc/98/27/64/947982764.db2.gz LMXLFJYUCUNGMW-UHFFFAOYSA-N -1 3 392.489 0.951 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001573398718 947986107 /nfs/dbraw/zinc/98/61/07/947986107.db2.gz OUYGISWDUMFHBU-ZIAGYGMSSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001573398718 947986114 /nfs/dbraw/zinc/98/61/14/947986114.db2.gz OUYGISWDUMFHBU-ZIAGYGMSSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573656205 947986790 /nfs/dbraw/zinc/98/67/90/947986790.db2.gz DKAPLGNRPIPZIA-SJKOYZFVSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573399200 947989535 /nfs/dbraw/zinc/98/95/35/947989535.db2.gz SVHYIVUYJCIPSB-HNNXBMFYSA-N -1 3 378.462 0.195 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)CC(C)C ZINC001573399578 947992001 /nfs/dbraw/zinc/99/20/01/947992001.db2.gz XCVBKJKPEOEDCB-ZDUSSCGKSA-N -1 3 392.439 0.822 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)CC(C)C ZINC001573399578 947992006 /nfs/dbraw/zinc/99/20/06/947992006.db2.gz XCVBKJKPEOEDCB-ZDUSSCGKSA-N -1 3 392.439 0.822 20 0 GCADHM C[C@@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)cn2)CCCC1)n1cncn1 ZINC001573656633 947992142 /nfs/dbraw/zinc/99/21/42/947992142.db2.gz HXLBZAYSPRUXMJ-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)cn2)CCCC1)n1cncn1 ZINC001573656633 947992148 /nfs/dbraw/zinc/99/21/48/947992148.db2.gz HXLBZAYSPRUXMJ-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM CC(=O)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001573399553 947992807 /nfs/dbraw/zinc/99/28/07/947992807.db2.gz WSTBHPHYVZMSGX-AGUYFDCRSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001573399553 947992815 /nfs/dbraw/zinc/99/28/15/947992815.db2.gz WSTBHPHYVZMSGX-AGUYFDCRSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1(C)C ZINC001573401303 947995866 /nfs/dbraw/zinc/99/58/66/947995866.db2.gz AYIFITFQTNLHAD-AWEZNQCLSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1(C)C ZINC001573401303 947995872 /nfs/dbraw/zinc/99/58/72/947995872.db2.gz AYIFITFQTNLHAD-AWEZNQCLSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573401302 947996450 /nfs/dbraw/zinc/99/64/50/947996450.db2.gz AYEJOYYZCDUPJI-ZDUSSCGKSA-N -1 3 378.412 0.432 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573401302 947996458 /nfs/dbraw/zinc/99/64/58/947996458.db2.gz AYEJOYYZCDUPJI-ZDUSSCGKSA-N -1 3 378.412 0.432 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573657121 947998523 /nfs/dbraw/zinc/99/85/23/947998523.db2.gz LCKUCZQELQXAGY-KZULUSFZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573657121 947998528 /nfs/dbraw/zinc/99/85/28/947998528.db2.gz LCKUCZQELQXAGY-KZULUSFZSA-N -1 3 381.444 0.884 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573402267 948000326 /nfs/dbraw/zinc/00/03/26/948000326.db2.gz FMSUSWFWMZKSHZ-GXFFZTMASA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573402267 948000336 /nfs/dbraw/zinc/00/03/36/948000336.db2.gz FMSUSWFWMZKSHZ-GXFFZTMASA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573401819 948001029 /nfs/dbraw/zinc/00/10/29/948001029.db2.gz DAOSNINGMORWEN-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573401819 948001034 /nfs/dbraw/zinc/00/10/34/948001034.db2.gz DAOSNINGMORWEN-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573657949 948004193 /nfs/dbraw/zinc/00/41/93/948004193.db2.gz QFFASOFWXOAYIY-QFYYESIMSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573657949 948004198 /nfs/dbraw/zinc/00/41/98/948004198.db2.gz QFFASOFWXOAYIY-QFYYESIMSA-N -1 3 386.395 0.339 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573402783 948004956 /nfs/dbraw/zinc/00/49/56/948004956.db2.gz IHPLYRWMEVFRCV-AWEZNQCLSA-N -1 3 375.408 0.175 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573658621 948009056 /nfs/dbraw/zinc/00/90/56/948009056.db2.gz SOSFOPVSVLSXCW-SJKOYZFVSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573658617 948009757 /nfs/dbraw/zinc/00/97/57/948009757.db2.gz SOSFOPVSVLSXCW-PXAZEXFGSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573658695 948011334 /nfs/dbraw/zinc/01/13/34/948011334.db2.gz TUOKPVNMQHQZKD-KZULUSFZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573658695 948011339 /nfs/dbraw/zinc/01/13/39/948011339.db2.gz TUOKPVNMQHQZKD-KZULUSFZSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573403461 948011799 /nfs/dbraw/zinc/01/17/99/948011799.db2.gz MYSDCWJDHWFEST-OAHLLOKOSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573403821 948013177 /nfs/dbraw/zinc/01/31/77/948013177.db2.gz OPLVRMMWSIUHQS-UKRRQHHQSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573403821 948013186 /nfs/dbraw/zinc/01/31/86/948013186.db2.gz OPLVRMMWSIUHQS-UKRRQHHQSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1)[C@@H]1CCCO1 ZINC001573659056 948013493 /nfs/dbraw/zinc/01/34/93/948013493.db2.gz USENLRHOPVPYBW-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1)[C@@H]1CCCO1 ZINC001573659056 948013501 /nfs/dbraw/zinc/01/35/01/948013501.db2.gz USENLRHOPVPYBW-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)[C@@H]1C ZINC001573403762 948013778 /nfs/dbraw/zinc/01/37/78/948013778.db2.gz OGTPCKGKLTUOLA-IUODEOHRSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)[C@@H]1C ZINC001573403762 948013781 /nfs/dbraw/zinc/01/37/81/948013781.db2.gz OGTPCKGKLTUOLA-IUODEOHRSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CCOCC1 ZINC001573659560 948015455 /nfs/dbraw/zinc/01/54/55/948015455.db2.gz WPIFVVPJNBYPAI-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CCOCC1 ZINC001573659560 948015464 /nfs/dbraw/zinc/01/54/64/948015464.db2.gz WPIFVVPJNBYPAI-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM Cc1onc(CC(=O)N2CCCC[C@H]2CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826344898 948015717 /nfs/dbraw/zinc/01/57/17/948015717.db2.gz WARCNNBUHOFWSN-ZDUSSCGKSA-N -1 3 375.433 0.419 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573659601 948016693 /nfs/dbraw/zinc/01/66/93/948016693.db2.gz WUGAZBIDCITBHQ-XIKOKIGWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573659601 948016707 /nfs/dbraw/zinc/01/67/07/948016707.db2.gz WUGAZBIDCITBHQ-XIKOKIGWSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)NCCN(Cc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC001573404190 948017032 /nfs/dbraw/zinc/01/70/32/948017032.db2.gz ACVAWTZMBFWEMO-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573404179 948017826 /nfs/dbraw/zinc/01/78/26/948017826.db2.gz RHSFZEXLPHCMJU-HIFRSBDPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573404179 948017835 /nfs/dbraw/zinc/01/78/35/948017835.db2.gz RHSFZEXLPHCMJU-HIFRSBDPSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573661898 948023094 /nfs/dbraw/zinc/02/30/94/948023094.db2.gz ALQUETUXCRXULJ-PVRXDPTQSA-N -1 3 384.444 0.197 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573661898 948023100 /nfs/dbraw/zinc/02/31/00/948023100.db2.gz ALQUETUXCRXULJ-PVRXDPTQSA-N -1 3 384.444 0.197 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573662394 948025238 /nfs/dbraw/zinc/02/52/38/948025238.db2.gz CMRJXEUOFLEMLQ-HZMBPMFUSA-N -1 3 386.460 0.302 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404411 948025425 /nfs/dbraw/zinc/02/54/25/948025425.db2.gz DAEKUUMMMXYGHC-LBPRGKRZSA-N -1 3 392.489 0.443 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404530 948027011 /nfs/dbraw/zinc/02/70/11/948027011.db2.gz UGSNLGHFINMYFM-NEPJUHHUSA-N -1 3 392.489 0.807 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573662439 948027259 /nfs/dbraw/zinc/02/72/59/948027259.db2.gz DZNGPZQZPWSDRM-NSHDSACASA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573662439 948027269 /nfs/dbraw/zinc/02/72/69/948027269.db2.gz DZNGPZQZPWSDRM-NSHDSACASA-N -1 3 385.432 0.078 20 0 GCADHM CC(=O)N(C)CC(=O)NCCN(c1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573404671 948031470 /nfs/dbraw/zinc/03/14/70/948031470.db2.gz JHKCUCXIIMKHNG-UHFFFAOYSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N(C)CC(=O)NCCN(c1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573404671 948031480 /nfs/dbraw/zinc/03/14/80/948031480.db2.gz JHKCUCXIIMKHNG-UHFFFAOYSA-N -1 3 392.851 0.478 20 0 GCADHM C[C@@H](C(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573663097 948031853 /nfs/dbraw/zinc/03/18/53/948031853.db2.gz IVADZAIZRFSHLN-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573663097 948031860 /nfs/dbraw/zinc/03/18/60/948031860.db2.gz IVADZAIZRFSHLN-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573405147 948038359 /nfs/dbraw/zinc/03/83/59/948038359.db2.gz YZDNNIRPWREHHP-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573405147 948038365 /nfs/dbraw/zinc/03/83/65/948038365.db2.gz YZDNNIRPWREHHP-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573663718 948038699 /nfs/dbraw/zinc/03/86/99/948038699.db2.gz OVBYPNXVRCDZEF-WHXUTIOJSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573663718 948038707 /nfs/dbraw/zinc/03/87/07/948038707.db2.gz OVBYPNXVRCDZEF-WHXUTIOJSA-N -1 3 379.446 0.002 20 0 GCADHM Cc1onc(CC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826346465 948039973 /nfs/dbraw/zinc/03/99/73/948039973.db2.gz NGGNDGKLKRSESW-QWRGUYRKSA-N -1 3 377.449 0.710 20 0 GCADHM Cc1onc(CC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826346465 948039981 /nfs/dbraw/zinc/03/99/81/948039981.db2.gz NGGNDGKLKRSESW-QWRGUYRKSA-N -1 3 377.449 0.710 20 0 GCADHM C[C@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573663758 948041710 /nfs/dbraw/zinc/04/17/10/948041710.db2.gz PJOQXRGRSLOFMV-PNESKVBLSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573663758 948041714 /nfs/dbraw/zinc/04/17/14/948041714.db2.gz PJOQXRGRSLOFMV-PNESKVBLSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)NC1CCCCC1)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573663876 948043111 /nfs/dbraw/zinc/04/31/11/948043111.db2.gz BCZVMLDXRHZDEB-GFCCVEGCSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@H](C(=O)NC1CCCCC1)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573663876 948043122 /nfs/dbraw/zinc/04/31/22/948043122.db2.gz BCZVMLDXRHZDEB-GFCCVEGCSA-N -1 3 388.476 0.694 20 0 GCADHM CC(=O)N(C)CC(=O)NCCN(c1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573405538 948044418 /nfs/dbraw/zinc/04/44/18/948044418.db2.gz SXURDTJICUFISS-UHFFFAOYSA-N -1 3 378.462 0.195 20 0 GCADHM CC(=O)N(C)CC(=O)NCCN(Cc1ccc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573405724 948047218 /nfs/dbraw/zinc/04/72/18/948047218.db2.gz VCBOJEYJKCIBDN-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)NCCN(Cc1ccc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573405724 948047228 /nfs/dbraw/zinc/04/72/28/948047228.db2.gz VCBOJEYJKCIBDN-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573405851 948049464 /nfs/dbraw/zinc/04/94/64/948049464.db2.gz XOYGLQWHFIJTEZ-ZDUSSCGKSA-N -1 3 389.435 0.959 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573405851 948049473 /nfs/dbraw/zinc/04/94/73/948049473.db2.gz XOYGLQWHFIJTEZ-ZDUSSCGKSA-N -1 3 389.435 0.959 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573405929 948049834 /nfs/dbraw/zinc/04/98/34/948049834.db2.gz YUSZABPUDOJNFM-UHFFFAOYSA-N -1 3 375.408 0.032 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573405929 948049843 /nfs/dbraw/zinc/04/98/43/948049843.db2.gz YUSZABPUDOJNFM-UHFFFAOYSA-N -1 3 375.408 0.032 20 0 GCADHM Cc1onc(CC(=O)NCCN2CCN(c3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826347238 948049995 /nfs/dbraw/zinc/04/99/95/948049995.db2.gz JXYQIGDIRBLPJV-UHFFFAOYSA-N -1 3 396.455 0.644 20 0 GCADHM Cc1onc(CC(=O)NCCN2CCN(c3ccccc3)CC2)c1-c1nn[n-]n1 ZINC000826347238 948050002 /nfs/dbraw/zinc/05/00/02/948050002.db2.gz JXYQIGDIRBLPJV-UHFFFAOYSA-N -1 3 396.455 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573406347 948050845 /nfs/dbraw/zinc/05/08/45/948050845.db2.gz AMBJAVKOWSSDBO-TZMCWYRMSA-N -1 3 386.460 0.319 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573406347 948050849 /nfs/dbraw/zinc/05/08/49/948050849.db2.gz AMBJAVKOWSSDBO-TZMCWYRMSA-N -1 3 386.460 0.319 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573406736 948055652 /nfs/dbraw/zinc/05/56/52/948055652.db2.gz PIXYWXOEJOYMAA-WCQYABFASA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573406736 948055662 /nfs/dbraw/zinc/05/56/62/948055662.db2.gz PIXYWXOEJOYMAA-WCQYABFASA-N -1 3 390.423 0.576 20 0 GCADHM Cc1nccn1-c1ccc(CNC(=O)Cc2noc(C)c2-c2nnn[n-]2)cn1 ZINC000826348036 948065591 /nfs/dbraw/zinc/06/55/91/948065591.db2.gz QTXXNAOWYZDHFR-UHFFFAOYSA-N -1 3 379.384 0.911 20 0 GCADHM Cc1nccn1-c1ccc(CNC(=O)Cc2noc(C)c2-c2nn[n-]n2)cn1 ZINC000826348036 948065600 /nfs/dbraw/zinc/06/56/00/948065600.db2.gz QTXXNAOWYZDHFR-UHFFFAOYSA-N -1 3 379.384 0.911 20 0 GCADHM C[C@@H](C(=O)NC1CCCCC1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573665975 948079722 /nfs/dbraw/zinc/07/97/22/948079722.db2.gz NZZJJSJJQKCRIW-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CC(Nc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573413660 948083385 /nfs/dbraw/zinc/08/33/85/948083385.db2.gz CSOYMCCPVHOVNG-UHFFFAOYSA-N -1 3 388.407 0.280 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CC(Nc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573413660 948083394 /nfs/dbraw/zinc/08/33/94/948083394.db2.gz CSOYMCCPVHOVNG-UHFFFAOYSA-N -1 3 388.407 0.280 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573666225 948083435 /nfs/dbraw/zinc/08/34/35/948083435.db2.gz RGBIFSKPVFJUAP-QWHCGFSZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573666225 948083445 /nfs/dbraw/zinc/08/34/45/948083445.db2.gz RGBIFSKPVFJUAP-QWHCGFSZSA-N -1 3 382.432 0.590 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nnn[n-]3)[C@H]2C)C1 ZINC001573413792 948086569 /nfs/dbraw/zinc/08/65/69/948086569.db2.gz GDZVFNZMLAXVBT-SKDRFNHKSA-N -1 3 390.473 0.511 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573666640 948090160 /nfs/dbraw/zinc/09/01/60/948090160.db2.gz UTJLCTQKLXXOME-NEPJUHHUSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573666640 948090171 /nfs/dbraw/zinc/09/01/71/948090171.db2.gz UTJLCTQKLXXOME-NEPJUHHUSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573667130 948093645 /nfs/dbraw/zinc/09/36/45/948093645.db2.gz YCKGFLBNAZETEY-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573667130 948093653 /nfs/dbraw/zinc/09/36/53/948093653.db2.gz YCKGFLBNAZETEY-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573667089 948094955 /nfs/dbraw/zinc/09/49/55/948094955.db2.gz XVCLFIBCDXSETB-WCQYABFASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573667089 948094962 /nfs/dbraw/zinc/09/49/62/948094962.db2.gz XVCLFIBCDXSETB-WCQYABFASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573666882 948095265 /nfs/dbraw/zinc/09/52/65/948095265.db2.gz XGJCNFAEIUNMHN-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573666882 948095273 /nfs/dbraw/zinc/09/52/73/948095273.db2.gz XGJCNFAEIUNMHN-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573667128 948095817 /nfs/dbraw/zinc/09/58/17/948095817.db2.gz YCKGFLBNAZETEY-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573667128 948095828 /nfs/dbraw/zinc/09/58/28/948095828.db2.gz YCKGFLBNAZETEY-GWCFXTLKSA-N -1 3 383.416 0.063 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573414822 948098655 /nfs/dbraw/zinc/09/86/55/948098655.db2.gz QFXYJEKPGAZYKG-BXUZGUMPSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573414822 948098663 /nfs/dbraw/zinc/09/86/63/948098663.db2.gz QFXYJEKPGAZYKG-BXUZGUMPSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573414845 948098710 /nfs/dbraw/zinc/09/87/10/948098710.db2.gz QUOKCPWVJQSGBM-GFCCVEGCSA-N -1 3 390.473 0.513 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573414824 948099207 /nfs/dbraw/zinc/09/92/07/948099207.db2.gz QFXYJEKPGAZYKG-FZMZJTMJSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573414824 948099216 /nfs/dbraw/zinc/09/92/16/948099216.db2.gz QFXYJEKPGAZYKG-FZMZJTMJSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001573414726 948099485 /nfs/dbraw/zinc/09/94/85/948099485.db2.gz OJXGAZQRVQPBKV-UHFFFAOYSA-N -1 3 389.485 0.441 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573415156 948101567 /nfs/dbraw/zinc/10/15/67/948101567.db2.gz UUPHEWUSAGIHOD-OAHLLOKOSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573415156 948101575 /nfs/dbraw/zinc/10/15/75/948101575.db2.gz UUPHEWUSAGIHOD-OAHLLOKOSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573672117 948107805 /nfs/dbraw/zinc/10/78/05/948107805.db2.gz GTGSVSOWKPJFNW-NXEZZACHSA-N -1 3 384.487 0.052 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001573415409 948108524 /nfs/dbraw/zinc/10/85/24/948108524.db2.gz ZTFKTCABNGNPHR-AWEZNQCLSA-N -1 3 384.444 0.086 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001573415409 948108528 /nfs/dbraw/zinc/10/85/28/948108528.db2.gz ZTFKTCABNGNPHR-AWEZNQCLSA-N -1 3 384.444 0.086 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)[C@@H](C)C2)C1 ZINC001573418572 948118216 /nfs/dbraw/zinc/11/82/16/948118216.db2.gz HALHOFBKGLILID-SMDDNHRTSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)[C@@H](C)C2)C1 ZINC001573418572 948118221 /nfs/dbraw/zinc/11/82/21/948118221.db2.gz HALHOFBKGLILID-SMDDNHRTSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001573418589 948119195 /nfs/dbraw/zinc/11/91/95/948119195.db2.gz HDJQMNQQTCCUCY-SFHVURJKSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001573418589 948119202 /nfs/dbraw/zinc/11/92/02/948119202.db2.gz HDJQMNQQTCCUCY-SFHVURJKSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C2CC2)C1 ZINC001573418940 948119399 /nfs/dbraw/zinc/11/93/99/948119399.db2.gz IASLSGDMDMBPCS-AWEZNQCLSA-N -1 3 388.407 0.186 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C2CC2)C1 ZINC001573418940 948119401 /nfs/dbraw/zinc/11/94/01/948119401.db2.gz IASLSGDMDMBPCS-AWEZNQCLSA-N -1 3 388.407 0.186 20 0 GCADHM CC(=O)N1CC(C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573419167 948121517 /nfs/dbraw/zinc/12/15/17/948121517.db2.gz KKUVVFRYRKEOKT-UHFFFAOYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573419167 948121522 /nfs/dbraw/zinc/12/15/22/948121522.db2.gz KKUVVFRYRKEOKT-UHFFFAOYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)NC2(CNc3ccc(-c4nnn[n-]4)cn3)CCCC2)C1 ZINC001573419349 948123482 /nfs/dbraw/zinc/12/34/82/948123482.db2.gz LELHTGAHDAMVEV-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC(C(=O)NC2(CNc3ccc(-c4nn[n-]n4)cn3)CCCC2)C1 ZINC001573419349 948123489 /nfs/dbraw/zinc/12/34/89/948123489.db2.gz LELHTGAHDAMVEV-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001573419352 948123844 /nfs/dbraw/zinc/12/38/44/948123844.db2.gz LGWAPVYWIWDBEZ-AWEZNQCLSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001573419352 948123847 /nfs/dbraw/zinc/12/38/47/948123847.db2.gz LGWAPVYWIWDBEZ-AWEZNQCLSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573419633 948125133 /nfs/dbraw/zinc/12/51/33/948125133.db2.gz NWWJJIAJTOGCFH-BXUZGUMPSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573419633 948125137 /nfs/dbraw/zinc/12/51/37/948125137.db2.gz NWWJJIAJTOGCFH-BXUZGUMPSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573419701 948126493 /nfs/dbraw/zinc/12/64/93/948126493.db2.gz PVFXUQNJIVIHEA-OCCSQVGLSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573419701 948126500 /nfs/dbraw/zinc/12/65/00/948126500.db2.gz PVFXUQNJIVIHEA-OCCSQVGLSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)[C@H](C)C2)C1 ZINC001573419748 948126616 /nfs/dbraw/zinc/12/66/16/948126616.db2.gz QYDJSPXGFAUYFT-BXUZGUMPSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)[C@H](C)C2)C1 ZINC001573419748 948126626 /nfs/dbraw/zinc/12/66/26/948126626.db2.gz QYDJSPXGFAUYFT-BXUZGUMPSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)[C@@H](C)C2)C1 ZINC001573419749 948127433 /nfs/dbraw/zinc/12/74/33/948127433.db2.gz QYDJSPXGFAUYFT-FZMZJTMJSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)[C@@H](C)C2)C1 ZINC001573419749 948127437 /nfs/dbraw/zinc/12/74/37/948127437.db2.gz QYDJSPXGFAUYFT-FZMZJTMJSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573419785 948128615 /nfs/dbraw/zinc/12/86/15/948128615.db2.gz SFMZJXKDRBNJIS-IUODEOHRSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573419785 948128626 /nfs/dbraw/zinc/12/86/26/948128626.db2.gz SFMZJXKDRBNJIS-IUODEOHRSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)c1cccnc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573676792 948129110 /nfs/dbraw/zinc/12/91/10/948129110.db2.gz ABPIZNKMFSELRC-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)c1cccnc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573676792 948129117 /nfs/dbraw/zinc/12/91/17/948129117.db2.gz ABPIZNKMFSELRC-NEPJUHHUSA-N -1 3 382.428 0.970 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573419924 948131623 /nfs/dbraw/zinc/13/16/23/948131623.db2.gz VVGGRZFGQZYATP-VIFPVBQESA-N -1 3 392.851 0.558 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573419924 948131630 /nfs/dbraw/zinc/13/16/30/948131630.db2.gz VVGGRZFGQZYATP-VIFPVBQESA-N -1 3 392.851 0.558 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C(C)(C)C)C1 ZINC001573419900 948131646 /nfs/dbraw/zinc/13/16/46/948131646.db2.gz VCZIKKKIULMVBF-OAHLLOKOSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C)C1 ZINC001573419900 948131650 /nfs/dbraw/zinc/13/16/50/948131650.db2.gz VCZIKKKIULMVBF-OAHLLOKOSA-N -1 3 386.460 0.683 20 0 GCADHM Cn1ccc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826362930 948135864 /nfs/dbraw/zinc/13/58/64/948135864.db2.gz OPAOPUKACUUQST-UHFFFAOYSA-N -1 3 394.317 0.874 20 0 GCADHM Cn1ccc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826362930 948135872 /nfs/dbraw/zinc/13/58/72/948135872.db2.gz OPAOPUKACUUQST-UHFFFAOYSA-N -1 3 394.317 0.874 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001573422201 948140104 /nfs/dbraw/zinc/14/01/04/948140104.db2.gz IGYPIBIESBJQDG-XBXGTLAGSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001573422201 948140112 /nfs/dbraw/zinc/14/01/12/948140112.db2.gz IGYPIBIESBJQDG-XBXGTLAGSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C(C)C)C1 ZINC001573421658 948140584 /nfs/dbraw/zinc/14/05/84/948140584.db2.gz HRGIWOVDNQYSJW-HNNXBMFYSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C(C)C)C1 ZINC001573421658 948140588 /nfs/dbraw/zinc/14/05/88/948140588.db2.gz HRGIWOVDNQYSJW-HNNXBMFYSA-N -1 3 386.460 0.601 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C2CC2)C1 ZINC001573422219 948142213 /nfs/dbraw/zinc/14/22/13/948142213.db2.gz ISFIURCWOGPJMT-LBPRGKRZSA-N -1 3 390.473 0.417 20 0 GCADHM Cn1cnnc1-c1cncc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826365528 948144024 /nfs/dbraw/zinc/14/40/24/948144024.db2.gz RMLNLCSIFAVHQN-AWEZNQCLSA-N -1 3 377.368 0.729 20 0 GCADHM Cn1cnnc1-c1cncc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826365528 948144029 /nfs/dbraw/zinc/14/40/29/948144029.db2.gz RMLNLCSIFAVHQN-AWEZNQCLSA-N -1 3 377.368 0.729 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573677962 948145888 /nfs/dbraw/zinc/14/58/88/948145888.db2.gz ZJVNBWNPRWXZOE-ZJUUUORDSA-N -1 3 382.421 0.134 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573677962 948145893 /nfs/dbraw/zinc/14/58/93/948145893.db2.gz ZJVNBWNPRWXZOE-ZJUUUORDSA-N -1 3 382.421 0.134 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C2CC2)C1 ZINC001573424401 948151794 /nfs/dbraw/zinc/15/17/94/948151794.db2.gz ZUFNCBYTUURRIV-OAHLLOKOSA-N -1 3 384.444 0.355 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C2CC2)C1 ZINC001573424401 948151798 /nfs/dbraw/zinc/15/17/98/948151798.db2.gz ZUFNCBYTUURRIV-OAHLLOKOSA-N -1 3 384.444 0.355 20 0 GCADHM C[C@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573678566 948151887 /nfs/dbraw/zinc/15/18/87/948151887.db2.gz FEOOTGMNYBWTBG-SKDRFNHKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573678566 948151891 /nfs/dbraw/zinc/15/18/91/948151891.db2.gz FEOOTGMNYBWTBG-SKDRFNHKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573678802 948154734 /nfs/dbraw/zinc/15/47/34/948154734.db2.gz JBKQGKWMSSEUGB-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573678802 948154740 /nfs/dbraw/zinc/15/47/40/948154740.db2.gz JBKQGKWMSSEUGB-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1)[C@@H]1CCC(=O)N1 ZINC001573679186 948158779 /nfs/dbraw/zinc/15/87/79/948158779.db2.gz JSIAPWYARPBYIZ-BONVTDFDSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@@H]1CCC(=O)N1 ZINC001573679186 948158785 /nfs/dbraw/zinc/15/87/85/948158785.db2.gz JSIAPWYARPBYIZ-BONVTDFDSA-N -1 3 387.419 0.221 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](Nc3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573426926 948160203 /nfs/dbraw/zinc/16/02/03/948160203.db2.gz RBOOPWACRXZXGH-HDJSIYSDSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](Nc3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573426926 948160210 /nfs/dbraw/zinc/16/02/10/948160210.db2.gz RBOOPWACRXZXGH-HDJSIYSDSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001573427204 948163794 /nfs/dbraw/zinc/16/37/94/948163794.db2.gz ULVISEDVJUKCRZ-HAQNSBGRSA-N -1 3 390.835 0.453 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001573427204 948163796 /nfs/dbraw/zinc/16/37/96/948163796.db2.gz ULVISEDVJUKCRZ-HAQNSBGRSA-N -1 3 390.835 0.453 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573679607 948164279 /nfs/dbraw/zinc/16/42/79/948164279.db2.gz LMJOASPRQJTEJI-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573679607 948164290 /nfs/dbraw/zinc/16/42/90/948164290.db2.gz LMJOASPRQJTEJI-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1)C1CC1 ZINC001573679878 948167900 /nfs/dbraw/zinc/16/79/00/948167900.db2.gz NAOCWUIAXVHWQC-ZWNOBZJWSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1)C1CC1 ZINC001573679878 948167908 /nfs/dbraw/zinc/16/79/08/948167908.db2.gz NAOCWUIAXVHWQC-ZWNOBZJWSA-N -1 3 385.428 0.341 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573428985 948168287 /nfs/dbraw/zinc/16/82/87/948168287.db2.gz FOULBQZCUHKHQX-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573428985 948168291 /nfs/dbraw/zinc/16/82/91/948168291.db2.gz FOULBQZCUHKHQX-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001573428979 948168321 /nfs/dbraw/zinc/16/83/21/948168321.db2.gz FMDULVFPMJVBAJ-UHFFFAOYSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001573428979 948168326 /nfs/dbraw/zinc/16/83/26/948168326.db2.gz FMDULVFPMJVBAJ-UHFFFAOYSA-N -1 3 383.456 0.426 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573679962 948169754 /nfs/dbraw/zinc/16/97/54/948169754.db2.gz NNHSCANWUGINPA-GXFFZTMASA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573679962 948169759 /nfs/dbraw/zinc/16/97/59/948169759.db2.gz NNHSCANWUGINPA-GXFFZTMASA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573429411 948171102 /nfs/dbraw/zinc/17/11/02/948171102.db2.gz IPGUGPVVBKMMGT-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573429411 948171109 /nfs/dbraw/zinc/17/11/09/948171109.db2.gz IPGUGPVVBKMMGT-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573431291 948179516 /nfs/dbraw/zinc/17/95/16/948179516.db2.gz VTDXPJHCTBEGMU-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573431291 948179519 /nfs/dbraw/zinc/17/95/19/948179519.db2.gz VTDXPJHCTBEGMU-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573431258 948179807 /nfs/dbraw/zinc/17/98/07/948179807.db2.gz VQDRQIVZBNEXTQ-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573431258 948179812 /nfs/dbraw/zinc/17/98/12/948179812.db2.gz VQDRQIVZBNEXTQ-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573432087 948185800 /nfs/dbraw/zinc/18/58/00/948185800.db2.gz CUXXDUKTGMVIKZ-QGZVFWFLSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573432087 948185807 /nfs/dbraw/zinc/18/58/07/948185807.db2.gz CUXXDUKTGMVIKZ-QGZVFWFLSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1)n1cncn1 ZINC001573680874 948190487 /nfs/dbraw/zinc/19/04/87/948190487.db2.gz RDPVXPAMHKLYCX-TVQRCGJNSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1)n1cncn1 ZINC001573680874 948190499 /nfs/dbraw/zinc/19/04/99/948190499.db2.gz RDPVXPAMHKLYCX-TVQRCGJNSA-N -1 3 386.395 0.560 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573432616 948192088 /nfs/dbraw/zinc/19/20/88/948192088.db2.gz HHRPXSJQYBRMGS-ZMZPIMSZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573432616 948192092 /nfs/dbraw/zinc/19/20/92/948192092.db2.gz HHRPXSJQYBRMGS-ZMZPIMSZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573433394 948199913 /nfs/dbraw/zinc/19/99/13/948199913.db2.gz KNIDQPUOQWMDEB-XIKOKIGWSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573433394 948199917 /nfs/dbraw/zinc/19/99/17/948199917.db2.gz KNIDQPUOQWMDEB-XIKOKIGWSA-N -1 3 386.460 0.779 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000826392759 948201958 /nfs/dbraw/zinc/20/19/58/948201958.db2.gz MEGUUHONHQQWAU-AWEZNQCLSA-N -1 3 395.379 0.646 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000826392759 948201967 /nfs/dbraw/zinc/20/19/67/948201967.db2.gz MEGUUHONHQQWAU-AWEZNQCLSA-N -1 3 395.379 0.646 20 0 GCADHM NC(=O)c1cccc(NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000826393843 948202804 /nfs/dbraw/zinc/20/28/04/948202804.db2.gz LZOQHBZWTZIOHH-UHFFFAOYSA-N -1 3 393.411 0.715 20 0 GCADHM NC(=O)c1cccc(NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000826393843 948202812 /nfs/dbraw/zinc/20/28/12/948202812.db2.gz LZOQHBZWTZIOHH-UHFFFAOYSA-N -1 3 393.411 0.715 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNc2nc3ccccn3c2-c2nnn[n-]2)c1 ZINC000826394546 948202928 /nfs/dbraw/zinc/20/29/28/948202928.db2.gz OGPJHMCPMUSPMO-UHFFFAOYSA-N -1 3 384.425 0.915 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNc2nc3ccccn3c2-c2nn[n-]n2)c1 ZINC000826394546 948202938 /nfs/dbraw/zinc/20/29/38/948202938.db2.gz OGPJHMCPMUSPMO-UHFFFAOYSA-N -1 3 384.425 0.915 20 0 GCADHM CC(=O)N1CCC(CO[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001573433584 948203648 /nfs/dbraw/zinc/20/36/48/948203648.db2.gz MIWKTKUFZPWRTM-OAHLLOKOSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CCC(CO[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001573433584 948203654 /nfs/dbraw/zinc/20/36/54/948203654.db2.gz MIWKTKUFZPWRTM-OAHLLOKOSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1)S(C)(=O)=O ZINC001573681432 948204535 /nfs/dbraw/zinc/20/45/35/948204535.db2.gz VPZQFDYQFFBZNO-RNCFNFMXSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1)S(C)(=O)=O ZINC001573681432 948204543 /nfs/dbraw/zinc/20/45/43/948204543.db2.gz VPZQFDYQFFBZNO-RNCFNFMXSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573681541 948205585 /nfs/dbraw/zinc/20/55/85/948205585.db2.gz WFHIVRZWTHVVNN-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573681541 948205595 /nfs/dbraw/zinc/20/55/95/948205595.db2.gz WFHIVRZWTHVVNN-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N1CC[C@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)C1 ZINC001573433769 948206041 /nfs/dbraw/zinc/20/60/41/948206041.db2.gz NPIKTPZDLNERDI-ZDUSSCGKSA-N -1 3 376.852 0.658 20 0 GCADHM CC(=O)N1CC[C@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)C1 ZINC001573433769 948206046 /nfs/dbraw/zinc/20/60/46/948206046.db2.gz NPIKTPZDLNERDI-ZDUSSCGKSA-N -1 3 376.852 0.658 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000826397379 948210742 /nfs/dbraw/zinc/21/07/42/948210742.db2.gz BRLYWYQVNNMEJO-OAHLLOKOSA-N -1 3 385.428 0.260 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000826397379 948210749 /nfs/dbraw/zinc/21/07/49/948210749.db2.gz BRLYWYQVNNMEJO-OAHLLOKOSA-N -1 3 385.428 0.260 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccsc1 ZINC001573681685 948211214 /nfs/dbraw/zinc/21/12/14/948211214.db2.gz ZAKZXKCAMFXFIX-CABZTGNLSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccsc1 ZINC001573681685 948211226 /nfs/dbraw/zinc/21/12/26/948211226.db2.gz ZAKZXKCAMFXFIX-CABZTGNLSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573434276 948212789 /nfs/dbraw/zinc/21/27/89/948212789.db2.gz PQCNSCKAHAITFW-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573434276 948212799 /nfs/dbraw/zinc/21/27/99/948212799.db2.gz PQCNSCKAHAITFW-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573434546 948214517 /nfs/dbraw/zinc/21/45/17/948214517.db2.gz QIXPIRGTEIXXKK-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573434546 948214527 /nfs/dbraw/zinc/21/45/27/948214527.db2.gz QIXPIRGTEIXXKK-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573434679 948216547 /nfs/dbraw/zinc/21/65/47/948216547.db2.gz SHSQESRAOSYSEW-ADLMAVQZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573434679 948216558 /nfs/dbraw/zinc/21/65/58/948216558.db2.gz SHSQESRAOSYSEW-ADLMAVQZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573434928 948221001 /nfs/dbraw/zinc/22/10/01/948221001.db2.gz SMZIYBWTDJAFEM-XIKOKIGWSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573434928 948221008 /nfs/dbraw/zinc/22/10/08/948221008.db2.gz SMZIYBWTDJAFEM-XIKOKIGWSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573434933 948221435 /nfs/dbraw/zinc/22/14/35/948221435.db2.gz STAVJXQLBGEMQY-SGTLLEGYSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573434933 948221444 /nfs/dbraw/zinc/22/14/44/948221444.db2.gz STAVJXQLBGEMQY-SGTLLEGYSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573690562 948225480 /nfs/dbraw/zinc/22/54/80/948225480.db2.gz DPPXOOGANCBSPH-PWSUYJOCSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573690562 948225490 /nfs/dbraw/zinc/22/54/90/948225490.db2.gz DPPXOOGANCBSPH-PWSUYJOCSA-N -1 3 387.400 0.141 20 0 GCADHM CC(=O)N1CCC([C@@H]2OCCC[C@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573435126 948225532 /nfs/dbraw/zinc/22/55/32/948225532.db2.gz ZOOCCFJXOBWRKU-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC([C@@H]2OCCC[C@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573435126 948225539 /nfs/dbraw/zinc/22/55/39/948225539.db2.gz ZOOCCFJXOBWRKU-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573435286 948228655 /nfs/dbraw/zinc/22/86/55/948228655.db2.gz VJEQBIKIBHZFMA-ACJLOTCBSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573435286 948228663 /nfs/dbraw/zinc/22/86/63/948228663.db2.gz VJEQBIKIBHZFMA-ACJLOTCBSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573435699 948233297 /nfs/dbraw/zinc/23/32/97/948233297.db2.gz ZPIYJYRYZUSYFT-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573435699 948233307 /nfs/dbraw/zinc/23/33/07/948233307.db2.gz ZPIYJYRYZUSYFT-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573438421 948234828 /nfs/dbraw/zinc/23/48/28/948234828.db2.gz AEZIHMNABBQKLR-KGLIPLIRSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573438421 948234839 /nfs/dbraw/zinc/23/48/39/948234839.db2.gz AEZIHMNABBQKLR-KGLIPLIRSA-N -1 3 384.444 0.533 20 0 GCADHM O=C(CN1CCOCC1)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826410944 948246609 /nfs/dbraw/zinc/24/66/09/948246609.db2.gz FCDHCBBFLPUYHT-OAHLLOKOSA-N -1 3 386.412 0.238 20 0 GCADHM O=C(CN1CCOCC1)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826410944 948246620 /nfs/dbraw/zinc/24/66/20/948246620.db2.gz FCDHCBBFLPUYHT-OAHLLOKOSA-N -1 3 386.412 0.238 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CCO)c1cccs1 ZINC000826411823 948248930 /nfs/dbraw/zinc/24/89/30/948248930.db2.gz PAISWCYGICUZIU-CYBMUJFWSA-N -1 3 386.437 0.898 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CCO)c1cccs1 ZINC000826411823 948248941 /nfs/dbraw/zinc/24/89/41/948248941.db2.gz PAISWCYGICUZIU-CYBMUJFWSA-N -1 3 386.437 0.898 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573439672 948250224 /nfs/dbraw/zinc/25/02/24/948250224.db2.gz OQVVPUNEQXVWFH-CQSZACIVSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573439672 948250239 /nfs/dbraw/zinc/25/02/39/948250239.db2.gz OQVVPUNEQXVWFH-CQSZACIVSA-N -1 3 386.460 0.699 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000826413687 948253272 /nfs/dbraw/zinc/25/32/72/948253272.db2.gz NTQVGNSDTJAZGN-GFCCVEGCSA-N -1 3 383.391 0.603 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000826413687 948253278 /nfs/dbraw/zinc/25/32/78/948253278.db2.gz NTQVGNSDTJAZGN-GFCCVEGCSA-N -1 3 383.391 0.603 20 0 GCADHM O=C(CO)N1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826415027 948254673 /nfs/dbraw/zinc/25/46/73/948254673.db2.gz OWPJSELJPCNFNJ-UHFFFAOYSA-N -1 3 388.428 0.079 20 0 GCADHM O=C(CO)N1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826415027 948254681 /nfs/dbraw/zinc/25/46/81/948254681.db2.gz OWPJSELJPCNFNJ-UHFFFAOYSA-N -1 3 388.428 0.079 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cccnc1 ZINC001573692133 948255618 /nfs/dbraw/zinc/25/56/18/948255618.db2.gz MKQGRRDUSFAGTQ-LLVKDONJSA-N -1 3 380.412 0.772 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cccnc1 ZINC001573692133 948255625 /nfs/dbraw/zinc/25/56/25/948255625.db2.gz MKQGRRDUSFAGTQ-LLVKDONJSA-N -1 3 380.412 0.772 20 0 GCADHM O=C(COC(=O)CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826415863 948256052 /nfs/dbraw/zinc/25/60/52/948256052.db2.gz WDKQTUWKHLDEJA-UHFFFAOYSA-N -1 3 380.792 0.334 20 0 GCADHM O=C(COC(=O)CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826415863 948256059 /nfs/dbraw/zinc/25/60/59/948256059.db2.gz WDKQTUWKHLDEJA-UHFFFAOYSA-N -1 3 380.792 0.334 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573692137 948256136 /nfs/dbraw/zinc/25/61/36/948256136.db2.gz MMGKWYUKGHRPRM-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573692137 948256147 /nfs/dbraw/zinc/25/61/47/948256147.db2.gz MMGKWYUKGHRPRM-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM O=C(COC(=O)CSc1nncs1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826415901 948256944 /nfs/dbraw/zinc/25/69/44/948256944.db2.gz XPDJNNVATZGTIK-UHFFFAOYSA-N -1 3 391.438 0.670 20 0 GCADHM O=C(COC(=O)CSc1nncs1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826415901 948256954 /nfs/dbraw/zinc/25/69/54/948256954.db2.gz XPDJNNVATZGTIK-UHFFFAOYSA-N -1 3 391.438 0.670 20 0 GCADHM O=C(CS(=O)(=O)c1ccc(CO)cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826419827 948262530 /nfs/dbraw/zinc/26/25/30/948262530.db2.gz NOTAWQCNNRBWMH-UHFFFAOYSA-N -1 3 387.421 0.449 20 0 GCADHM O=C(CS(=O)(=O)c1ccc(CO)cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826419827 948262540 /nfs/dbraw/zinc/26/25/40/948262540.db2.gz NOTAWQCNNRBWMH-UHFFFAOYSA-N -1 3 387.421 0.449 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)N1CCc2ccncc21 ZINC000826419800 948262750 /nfs/dbraw/zinc/26/27/50/948262750.db2.gz MJLMKCPBMAHBSP-UHFFFAOYSA-N -1 3 384.421 0.766 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)N1CCc2ccncc21 ZINC000826419800 948262757 /nfs/dbraw/zinc/26/27/57/948262757.db2.gz MJLMKCPBMAHBSP-UHFFFAOYSA-N -1 3 384.421 0.766 20 0 GCADHM C[C@H](C(=O)NC[C@]1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CC1 ZINC001573692533 948267012 /nfs/dbraw/zinc/26/70/12/948267012.db2.gz PQSSPCDGNJISDL-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@]1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CC1 ZINC001573692533 948267018 /nfs/dbraw/zinc/26/70/18/948267018.db2.gz PQSSPCDGNJISDL-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573692944 948273908 /nfs/dbraw/zinc/27/39/08/948273908.db2.gz TWBJUAKLFDTZFE-PWSUYJOCSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573692944 948273921 /nfs/dbraw/zinc/27/39/21/948273921.db2.gz TWBJUAKLFDTZFE-PWSUYJOCSA-N -1 3 387.419 0.981 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573441791 948276387 /nfs/dbraw/zinc/27/63/87/948276387.db2.gz BMVCEOARBNVOIL-CQSZACIVSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573441791 948276399 /nfs/dbraw/zinc/27/63/99/948276399.db2.gz BMVCEOARBNVOIL-CQSZACIVSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(NC[C@@H](O)CO)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826432899 948287790 /nfs/dbraw/zinc/28/77/90/948287790.db2.gz OXNNUBCHXAAXDE-SECBINFHSA-N -1 3 378.780 0.181 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cccc1 ZINC001573693835 948288811 /nfs/dbraw/zinc/28/88/11/948288811.db2.gz UJIKYZFWLXRCRI-ZYHUDNBSSA-N -1 3 390.835 0.867 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cccc1 ZINC001573693835 948288820 /nfs/dbraw/zinc/28/88/20/948288820.db2.gz UJIKYZFWLXRCRI-ZYHUDNBSSA-N -1 3 390.835 0.867 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442499 948293052 /nfs/dbraw/zinc/29/30/52/948293052.db2.gz IIYORCPKAGMIEW-SWLSCSKDSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442499 948293062 /nfs/dbraw/zinc/29/30/62/948293062.db2.gz IIYORCPKAGMIEW-SWLSCSKDSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573694297 948294791 /nfs/dbraw/zinc/29/47/91/948294791.db2.gz CEEPZHPZDYXPSC-XPTSAGLGSA-N -1 3 385.350 0.518 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573694297 948294797 /nfs/dbraw/zinc/29/47/97/948294797.db2.gz CEEPZHPZDYXPSC-XPTSAGLGSA-N -1 3 385.350 0.518 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)C1CCOCC1 ZINC000826438596 948296627 /nfs/dbraw/zinc/29/66/27/948296627.db2.gz JJUKEQCSSTUGJR-HNNXBMFYSA-N -1 3 376.417 0.332 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573442649 948297424 /nfs/dbraw/zinc/29/74/24/948297424.db2.gz JIKQOHRVCOTNEJ-LBPRGKRZSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573442649 948297432 /nfs/dbraw/zinc/29/74/32/948297432.db2.gz JIKQOHRVCOTNEJ-LBPRGKRZSA-N -1 3 390.423 0.212 20 0 GCADHM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573694699 948297648 /nfs/dbraw/zinc/29/76/48/948297648.db2.gz CZQURYNLYZXWMY-GRZMOONWSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573694699 948297653 /nfs/dbraw/zinc/29/76/53/948297653.db2.gz CZQURYNLYZXWMY-GRZMOONWSA-N -1 3 379.446 0.002 20 0 GCADHM O=C(NCCc1ccc(CO)cc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826439454 948298626 /nfs/dbraw/zinc/29/86/26/948298626.db2.gz VXKCVJYLIXDWQL-UHFFFAOYSA-N -1 3 384.371 0.796 20 0 GCADHM O=C(NCCc1ccc(CO)cc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826439454 948298638 /nfs/dbraw/zinc/29/86/38/948298638.db2.gz VXKCVJYLIXDWQL-UHFFFAOYSA-N -1 3 384.371 0.796 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001573695303 948305526 /nfs/dbraw/zinc/30/55/26/948305526.db2.gz GFBLBAPYLSUMTL-BBRMVZONSA-N -1 3 386.456 0.345 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001573695303 948305537 /nfs/dbraw/zinc/30/55/37/948305537.db2.gz GFBLBAPYLSUMTL-BBRMVZONSA-N -1 3 386.456 0.345 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573695804 948311238 /nfs/dbraw/zinc/31/12/38/948311238.db2.gz IPWJONNAVIQGQV-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573695804 948311248 /nfs/dbraw/zinc/31/12/48/948311248.db2.gz IPWJONNAVIQGQV-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM CC(C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)=C1CCCC1 ZINC001573696049 948316948 /nfs/dbraw/zinc/31/69/48/948316948.db2.gz ZUCVKTQMKBQFDP-CQSZACIVSA-N -1 3 387.444 0.634 20 0 GCADHM CC(C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)=C1CCCC1 ZINC001573696049 948316958 /nfs/dbraw/zinc/31/69/58/948316958.db2.gz ZUCVKTQMKBQFDP-CQSZACIVSA-N -1 3 387.444 0.634 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573696161 948317570 /nfs/dbraw/zinc/31/75/70/948317570.db2.gz LQFYSSUYHSPLAO-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573696161 948317581 /nfs/dbraw/zinc/31/75/81/948317581.db2.gz LQFYSSUYHSPLAO-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC(CCCO)CC1 ZINC000826452847 948322381 /nfs/dbraw/zinc/32/23/81/948322381.db2.gz LLMFNSHETCOVBG-UHFFFAOYSA-N -1 3 376.392 0.955 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC(CCCO)CC1 ZINC000826452847 948322391 /nfs/dbraw/zinc/32/23/91/948322391.db2.gz LLMFNSHETCOVBG-UHFFFAOYSA-N -1 3 376.392 0.955 20 0 GCADHM CC(=O)N1CCC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2=O)C1 ZINC001573445114 948322474 /nfs/dbraw/zinc/32/24/74/948322474.db2.gz YOSZVQFEIFLCOB-CQSZACIVSA-N -1 3 384.444 0.230 20 0 GCADHM CC(=O)N1CCC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2=O)C1 ZINC001573445114 948322484 /nfs/dbraw/zinc/32/24/84/948322484.db2.gz YOSZVQFEIFLCOB-CQSZACIVSA-N -1 3 384.444 0.230 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573445118 948322923 /nfs/dbraw/zinc/32/29/23/948322923.db2.gz YPDWVWYYDRMQBQ-SOUVJXGZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573445118 948322934 /nfs/dbraw/zinc/32/29/34/948322934.db2.gz YPDWVWYYDRMQBQ-SOUVJXGZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573445227 948323237 /nfs/dbraw/zinc/32/32/37/948323237.db2.gz YWGDXKUDQPKQBN-GXTWGEPZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573445227 948323246 /nfs/dbraw/zinc/32/32/46/948323246.db2.gz YWGDXKUDQPKQBN-GXTWGEPZSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573696470 948327154 /nfs/dbraw/zinc/32/71/54/948327154.db2.gz QXHSCECGPSFBNT-VOJFVSQTSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573696470 948327161 /nfs/dbraw/zinc/32/71/61/948327161.db2.gz QXHSCECGPSFBNT-VOJFVSQTSA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573446286 948327632 /nfs/dbraw/zinc/32/76/32/948327632.db2.gz CVCMCILTKDXWMR-QGZVFWFLSA-N -1 3 383.456 0.522 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cccc1 ZINC001573696538 948328915 /nfs/dbraw/zinc/32/89/15/948328915.db2.gz RUVFXOJCLJMMNU-AWEZNQCLSA-N -1 3 381.440 0.592 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cccc1 ZINC001573696538 948328921 /nfs/dbraw/zinc/32/89/21/948328921.db2.gz RUVFXOJCLJMMNU-AWEZNQCLSA-N -1 3 381.440 0.592 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573446466 948329519 /nfs/dbraw/zinc/32/95/19/948329519.db2.gz HGBHVSIXAHKJKK-XJKSGUPXSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573446466 948329526 /nfs/dbraw/zinc/32/95/26/948329526.db2.gz HGBHVSIXAHKJKK-XJKSGUPXSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573696717 948332193 /nfs/dbraw/zinc/33/21/93/948332193.db2.gz WIYMTOVBOYOXAK-ZMZPIMSZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573696717 948332199 /nfs/dbraw/zinc/33/21/99/948332199.db2.gz WIYMTOVBOYOXAK-ZMZPIMSZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573696714 948333204 /nfs/dbraw/zinc/33/32/04/948333204.db2.gz WIYMTOVBOYOXAK-ADLMAVQZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573696714 948333211 /nfs/dbraw/zinc/33/32/11/948333211.db2.gz WIYMTOVBOYOXAK-ADLMAVQZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573446627 948333937 /nfs/dbraw/zinc/33/39/37/948333937.db2.gz KTLCVHRUGIEOFP-LSDHHAIUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573446627 948333946 /nfs/dbraw/zinc/33/39/46/948333946.db2.gz KTLCVHRUGIEOFP-LSDHHAIUSA-N -1 3 386.460 0.825 20 0 GCADHM O=C(COc1ccccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000826457823 948333928 /nfs/dbraw/zinc/33/39/28/948333928.db2.gz RNAHJLAKSNLOBS-UHFFFAOYSA-N -1 3 397.395 0.685 20 0 GCADHM O=C(COc1ccccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000826457823 948333939 /nfs/dbraw/zinc/33/39/39/948333939.db2.gz RNAHJLAKSNLOBS-UHFFFAOYSA-N -1 3 397.395 0.685 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573446718 948336510 /nfs/dbraw/zinc/33/65/10/948336510.db2.gz NZFICSCBMHAGMB-CYBMUJFWSA-N -1 3 376.396 0.282 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573446718 948336517 /nfs/dbraw/zinc/33/65/17/948336517.db2.gz NZFICSCBMHAGMB-CYBMUJFWSA-N -1 3 376.396 0.282 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573446695 948336798 /nfs/dbraw/zinc/33/67/98/948336798.db2.gz NAQFPHFTLMXMMU-IAQYHMDHSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573446695 948336808 /nfs/dbraw/zinc/33/68/08/948336808.db2.gz NAQFPHFTLMXMMU-IAQYHMDHSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573446918 948337464 /nfs/dbraw/zinc/33/74/64/948337464.db2.gz RUNZMMHOUDFPTA-GXTWGEPZSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573446918 948337470 /nfs/dbraw/zinc/33/74/70/948337470.db2.gz RUNZMMHOUDFPTA-GXTWGEPZSA-N -1 3 388.407 0.107 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1ccco1 ZINC001573696920 948338961 /nfs/dbraw/zinc/33/89/61/948338961.db2.gz ZYZPCBMEXQGANG-SGTLLEGYSA-N -1 3 383.412 0.716 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1ccco1 ZINC001573696920 948338972 /nfs/dbraw/zinc/33/89/72/948338972.db2.gz ZYZPCBMEXQGANG-SGTLLEGYSA-N -1 3 383.412 0.716 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573447066 948340615 /nfs/dbraw/zinc/34/06/15/948340615.db2.gz TVKQQZQTGJUSHK-DZGCQCFKSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573447066 948340625 /nfs/dbraw/zinc/34/06/25/948340625.db2.gz TVKQQZQTGJUSHK-DZGCQCFKSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573447096 948340920 /nfs/dbraw/zinc/34/09/20/948340920.db2.gz VCUDGWUBCODNEM-JOYOIKCWSA-N -1 3 392.489 0.949 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573703128 948350251 /nfs/dbraw/zinc/35/02/51/948350251.db2.gz IFAGLFMVAKKKJF-GXTWGEPZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573703128 948350259 /nfs/dbraw/zinc/35/02/59/948350259.db2.gz IFAGLFMVAKKKJF-GXTWGEPZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573703134 948350515 /nfs/dbraw/zinc/35/05/15/948350515.db2.gz IFAGLFMVAKKKJF-TZMCWYRMSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573703134 948350526 /nfs/dbraw/zinc/35/05/26/948350526.db2.gz IFAGLFMVAKKKJF-TZMCWYRMSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573703100 948351669 /nfs/dbraw/zinc/35/16/69/948351669.db2.gz HTDLULDIOSIPBQ-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573703100 948351678 /nfs/dbraw/zinc/35/16/78/948351678.db2.gz HTDLULDIOSIPBQ-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573703682 948357520 /nfs/dbraw/zinc/35/75/20/948357520.db2.gz LYXFXPANNCCQEW-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573703682 948357522 /nfs/dbraw/zinc/35/75/22/948357522.db2.gz LYXFXPANNCCQEW-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573703783 948359048 /nfs/dbraw/zinc/35/90/48/948359048.db2.gz MNOKJEQYCZZDAM-JSGCOSHPSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573703783 948359060 /nfs/dbraw/zinc/35/90/60/948359060.db2.gz MNOKJEQYCZZDAM-JSGCOSHPSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001573704251 948367809 /nfs/dbraw/zinc/36/78/09/948367809.db2.gz QYSXHISDWLSRIA-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001573704251 948367816 /nfs/dbraw/zinc/36/78/16/948367816.db2.gz QYSXHISDWLSRIA-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573704334 948370229 /nfs/dbraw/zinc/37/02/29/948370229.db2.gz ARVKYDYFDORZBW-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573704334 948370233 /nfs/dbraw/zinc/37/02/33/948370233.db2.gz ARVKYDYFDORZBW-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000826473804 948370851 /nfs/dbraw/zinc/37/08/51/948370851.db2.gz OUZRQBQVVXDCMB-UHFFFAOYSA-N -1 3 390.469 0.202 20 0 GCADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000826473804 948370859 /nfs/dbraw/zinc/37/08/59/948370859.db2.gz OUZRQBQVVXDCMB-UHFFFAOYSA-N -1 3 390.469 0.202 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573704357 948371348 /nfs/dbraw/zinc/37/13/48/948371348.db2.gz ATVRFWOGYVBDMB-QWRGUYRKSA-N -1 3 386.395 0.196 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573704357 948371361 /nfs/dbraw/zinc/37/13/61/948371361.db2.gz ATVRFWOGYVBDMB-QWRGUYRKSA-N -1 3 386.395 0.196 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573704373 948371556 /nfs/dbraw/zinc/37/15/56/948371556.db2.gz AYFGIMQKPITMQK-NEPJUHHUSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573704373 948371564 /nfs/dbraw/zinc/37/15/64/948371564.db2.gz AYFGIMQKPITMQK-NEPJUHHUSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573704532 948375621 /nfs/dbraw/zinc/37/56/21/948375621.db2.gz BRYNVZFSMUDXJE-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573704532 948375628 /nfs/dbraw/zinc/37/56/28/948375628.db2.gz BRYNVZFSMUDXJE-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573704612 948377867 /nfs/dbraw/zinc/37/78/67/948377867.db2.gz TXUILWUICRXOIT-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573704612 948377876 /nfs/dbraw/zinc/37/78/76/948377876.db2.gz TXUILWUICRXOIT-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM O=C1CN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCN1C1CC1 ZINC000826476774 948386197 /nfs/dbraw/zinc/38/61/97/948386197.db2.gz PAIVSEOWSXLFAK-MRXNPFEDSA-N -1 3 381.440 0.669 20 0 GCADHM O=C1CN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCN1C1CC1 ZINC000826476774 948386201 /nfs/dbraw/zinc/38/62/01/948386201.db2.gz PAIVSEOWSXLFAK-MRXNPFEDSA-N -1 3 381.440 0.669 20 0 GCADHM C[C@@H](C(=O)NC/C=C/CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001573704911 948386877 /nfs/dbraw/zinc/38/68/77/948386877.db2.gz BUIGOWQFCNULAF-PGLGOXFNSA-N -1 3 383.416 0.134 20 0 GCADHM C[C@@H](C(=O)NC/C=C/CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001573704911 948386883 /nfs/dbraw/zinc/38/68/83/948386883.db2.gz BUIGOWQFCNULAF-PGLGOXFNSA-N -1 3 383.416 0.134 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573705032 948388414 /nfs/dbraw/zinc/38/84/14/948388414.db2.gz VFCIHFXQDQJFSV-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573705032 948388418 /nfs/dbraw/zinc/38/84/18/948388418.db2.gz VFCIHFXQDQJFSV-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CCNC(=O)C1 ZINC000826478398 948389915 /nfs/dbraw/zinc/38/99/15/948389915.db2.gz ARQDABALANMCQM-GXTWGEPZSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CCNC(=O)C1 ZINC000826478398 948389924 /nfs/dbraw/zinc/38/99/24/948389924.db2.gz ARQDABALANMCQM-GXTWGEPZSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826478533 948390186 /nfs/dbraw/zinc/39/01/86/948390186.db2.gz DUUCLPBTLIAEIY-RISCZKNCSA-N -1 3 385.380 0.859 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826478533 948390193 /nfs/dbraw/zinc/39/01/93/948390193.db2.gz DUUCLPBTLIAEIY-RISCZKNCSA-N -1 3 385.380 0.859 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826481620 948393588 /nfs/dbraw/zinc/39/35/88/948393588.db2.gz CHKIIMRESWIOQC-SNVBAGLBSA-N -1 3 376.764 0.288 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826481620 948393594 /nfs/dbraw/zinc/39/35/94/948393594.db2.gz CHKIIMRESWIOQC-SNVBAGLBSA-N -1 3 376.764 0.288 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)c1ccco1 ZINC001573705564 948403562 /nfs/dbraw/zinc/40/35/62/948403562.db2.gz GBLQOAWBQKESFM-CHWSQXEVSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)c1ccco1 ZINC001573705564 948403569 /nfs/dbraw/zinc/40/35/69/948403569.db2.gz GBLQOAWBQKESFM-CHWSQXEVSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573706004 948411619 /nfs/dbraw/zinc/41/16/19/948411619.db2.gz JCURMQPLYJZXEN-NEPJUHHUSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573706004 948411623 /nfs/dbraw/zinc/41/16/23/948411623.db2.gz JCURMQPLYJZXEN-NEPJUHHUSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573706294 948415137 /nfs/dbraw/zinc/41/51/37/948415137.db2.gz IBWVOZFWSSSNSC-OCCSQVGLSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573706294 948415141 /nfs/dbraw/zinc/41/51/41/948415141.db2.gz IBWVOZFWSSSNSC-OCCSQVGLSA-N -1 3 383.416 0.041 20 0 GCADHM O=c1cc(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)[nH]c2ccnn21 ZINC000826501716 948417753 /nfs/dbraw/zinc/41/77/53/948417753.db2.gz DMKYBPHTOVZGHU-HNNXBMFYSA-N -1 3 378.396 0.776 20 0 GCADHM O=c1cc(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)[nH]c2ccnn21 ZINC000826501716 948417757 /nfs/dbraw/zinc/41/77/57/948417757.db2.gz DMKYBPHTOVZGHU-HNNXBMFYSA-N -1 3 378.396 0.776 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001573706611 948420967 /nfs/dbraw/zinc/42/09/67/948420967.db2.gz JQESBGQCKACSOF-JSGCOSHPSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001573706611 948420970 /nfs/dbraw/zinc/42/09/70/948420970.db2.gz JQESBGQCKACSOF-JSGCOSHPSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573706640 948422840 /nfs/dbraw/zinc/42/28/40/948422840.db2.gz JZJXSKFLLYTQBI-GXSJLCMTSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573706640 948422845 /nfs/dbraw/zinc/42/28/45/948422845.db2.gz JZJXSKFLLYTQBI-GXSJLCMTSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573707125 948428739 /nfs/dbraw/zinc/42/87/39/948428739.db2.gz MZXVSNYCWDGEHG-DTWKUNHWSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573707125 948428744 /nfs/dbraw/zinc/42/87/44/948428744.db2.gz MZXVSNYCWDGEHG-DTWKUNHWSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)C(F)(F)F ZINC001573708313 948447800 /nfs/dbraw/zinc/44/78/00/948447800.db2.gz UCHOGLWPDVCKFN-GXSJLCMTSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)C(F)(F)F ZINC001573708313 948447805 /nfs/dbraw/zinc/44/78/05/948447805.db2.gz UCHOGLWPDVCKFN-GXSJLCMTSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573708510 948452594 /nfs/dbraw/zinc/45/25/94/948452594.db2.gz VYIAGEJMLMAKHR-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573708510 948452597 /nfs/dbraw/zinc/45/25/97/948452597.db2.gz VYIAGEJMLMAKHR-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1)C1CC1 ZINC001573708591 948453836 /nfs/dbraw/zinc/45/38/36/948453836.db2.gz WAZMSDCWKVQPNF-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1)C1CC1 ZINC001573708591 948453842 /nfs/dbraw/zinc/45/38/42/948453842.db2.gz WAZMSDCWKVQPNF-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)C(C)(F)F ZINC001573708727 948457929 /nfs/dbraw/zinc/45/79/29/948457929.db2.gz XPSFZNQSICAILY-CMPLNLGQSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)C(C)(F)F ZINC001573708727 948457934 /nfs/dbraw/zinc/45/79/34/948457934.db2.gz XPSFZNQSICAILY-CMPLNLGQSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1)C1CC1 ZINC001573708860 948461894 /nfs/dbraw/zinc/46/18/94/948461894.db2.gz XYJUHSFZZOGQCS-ZWNOBZJWSA-N -1 3 375.408 0.768 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1)C1CC1 ZINC001573708860 948461908 /nfs/dbraw/zinc/46/19/08/948461908.db2.gz XYJUHSFZZOGQCS-ZWNOBZJWSA-N -1 3 375.408 0.768 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573709002 948464132 /nfs/dbraw/zinc/46/41/32/948464132.db2.gz YWNGCDVFTODXHV-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573709002 948464138 /nfs/dbraw/zinc/46/41/38/948464138.db2.gz YWNGCDVFTODXHV-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCC(=O)N1 ZINC001573715177 948483638 /nfs/dbraw/zinc/48/36/38/948483638.db2.gz QGUCWLCIXZSMDH-JQWIXIFHSA-N -1 3 377.474 0.391 20 0 GCADHM C[C@@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCC(=O)N1 ZINC001573715178 948484872 /nfs/dbraw/zinc/48/48/72/948484872.db2.gz QGUCWLCIXZSMDH-PWSUYJOCSA-N -1 3 377.474 0.391 20 0 GCADHM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573715306 948487322 /nfs/dbraw/zinc/48/73/22/948487322.db2.gz SZWBWYFEJPQSSE-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573715306 948487330 /nfs/dbraw/zinc/48/73/30/948487330.db2.gz SZWBWYFEJPQSSE-QWHCGFSZSA-N -1 3 382.432 0.447 20 0 GCADHM CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001294313019 948499446 /nfs/dbraw/zinc/49/94/46/948499446.db2.gz AFHBOKLQRGFIQH-UHFFFAOYSA-N -1 3 390.400 0.875 20 0 GCADHM CS(=O)(=O)Cc1ccc(F)cc1CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001294313019 948499454 /nfs/dbraw/zinc/49/94/54/948499454.db2.gz AFHBOKLQRGFIQH-UHFFFAOYSA-N -1 3 390.400 0.875 20 0 GCADHM C[C@H](C(=O)NCCN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001573721671 948542319 /nfs/dbraw/zinc/54/23/19/948542319.db2.gz ZZBSUQPTMNIRRZ-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@H](C(=O)NCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001573721671 948542326 /nfs/dbraw/zinc/54/23/26/948542326.db2.gz ZZBSUQPTMNIRRZ-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573726261 948547738 /nfs/dbraw/zinc/54/77/38/948547738.db2.gz HHJDATFCLXOAGI-RWMBFGLXSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573726261 948547746 /nfs/dbraw/zinc/54/77/46/948547746.db2.gz HHJDATFCLXOAGI-RWMBFGLXSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C)n1cncn1 ZINC001573726337 948549333 /nfs/dbraw/zinc/54/93/33/948549333.db2.gz ICROUYZIFPKIKA-JHJVBQTASA-N -1 3 382.432 0.303 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C)n1cncn1 ZINC001573726337 948549339 /nfs/dbraw/zinc/54/93/39/948549339.db2.gz ICROUYZIFPKIKA-JHJVBQTASA-N -1 3 382.432 0.303 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573726279 948550263 /nfs/dbraw/zinc/55/02/63/948550263.db2.gz HTFRWVQCXJDPDO-MEDZGJRSSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573726279 948550266 /nfs/dbraw/zinc/55/02/66/948550266.db2.gz HTFRWVQCXJDPDO-MEDZGJRSSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001573727228 948553669 /nfs/dbraw/zinc/55/36/69/948553669.db2.gz LNGUCIGBNSWGQE-TZQJONAQSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001573727228 948553674 /nfs/dbraw/zinc/55/36/74/948553674.db2.gz LNGUCIGBNSWGQE-TZQJONAQSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573728884 948564013 /nfs/dbraw/zinc/56/40/13/948564013.db2.gz RFXMNXIWJLRLOB-SGMGOOAPSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573728884 948564021 /nfs/dbraw/zinc/56/40/21/948564021.db2.gz RFXMNXIWJLRLOB-SGMGOOAPSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573729848 948571199 /nfs/dbraw/zinc/57/11/99/948571199.db2.gz VFQDABSWPZUGNE-MXWKQRLJSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573729848 948571201 /nfs/dbraw/zinc/57/12/01/948571201.db2.gz VFQDABSWPZUGNE-MXWKQRLJSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573731559 948592806 /nfs/dbraw/zinc/59/28/06/948592806.db2.gz GSUMWYJHNAKQSG-NWDGAFQWSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573731559 948592814 /nfs/dbraw/zinc/59/28/14/948592814.db2.gz GSUMWYJHNAKQSG-NWDGAFQWSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573731709 948594932 /nfs/dbraw/zinc/59/49/32/948594932.db2.gz XOQFRJDHUSJDSO-BLTAXRJOSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573731709 948594938 /nfs/dbraw/zinc/59/49/38/948594938.db2.gz XOQFRJDHUSJDSO-BLTAXRJOSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573731708 948594953 /nfs/dbraw/zinc/59/49/53/948594953.db2.gz XOQFRJDHUSJDSO-ASHKBJFXSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573731708 948594956 /nfs/dbraw/zinc/59/49/56/948594956.db2.gz XOQFRJDHUSJDSO-ASHKBJFXSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573732373 948602063 /nfs/dbraw/zinc/60/20/63/948602063.db2.gz NULGJZBLKHWZJM-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573732373 948602070 /nfs/dbraw/zinc/60/20/70/948602070.db2.gz NULGJZBLKHWZJM-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573736290 948614604 /nfs/dbraw/zinc/61/46/04/948614604.db2.gz OMCBEQDMHJHFSZ-SWLSCSKDSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573736290 948614608 /nfs/dbraw/zinc/61/46/08/948614608.db2.gz OMCBEQDMHJHFSZ-SWLSCSKDSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)n1cccc1 ZINC001573739256 948618304 /nfs/dbraw/zinc/61/83/04/948618304.db2.gz BTQBUOHKTZWICV-ZLKJLUDKSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)n1cccc1 ZINC001573739256 948618309 /nfs/dbraw/zinc/61/83/09/948618309.db2.gz BTQBUOHKTZWICV-ZLKJLUDKSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)C[C@H]1C)S(C)(=O)=O ZINC001573739816 948624403 /nfs/dbraw/zinc/62/44/03/948624403.db2.gz AWRVXGYRSQOGKR-LALPHHSUSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)C[C@H]1C)S(C)(=O)=O ZINC001573739816 948624407 /nfs/dbraw/zinc/62/44/07/948624407.db2.gz AWRVXGYRSQOGKR-LALPHHSUSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)C(C)(F)F ZINC001573740101 948627873 /nfs/dbraw/zinc/62/78/73/948627873.db2.gz DISWOQBNSWJQSO-MKPLZMMCSA-N -1 3 384.362 0.963 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)C(C)(F)F ZINC001573740101 948627879 /nfs/dbraw/zinc/62/78/79/948627879.db2.gz DISWOQBNSWJQSO-MKPLZMMCSA-N -1 3 384.362 0.963 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C)c1cnn(C)c1 ZINC001573740779 948642897 /nfs/dbraw/zinc/64/28/97/948642897.db2.gz PAMZHULZOFMWEQ-BFQNTYOBSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C)c1cnn(C)c1 ZINC001573740779 948642899 /nfs/dbraw/zinc/64/28/99/948642899.db2.gz PAMZHULZOFMWEQ-BFQNTYOBSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1cccs1 ZINC001573741011 948647669 /nfs/dbraw/zinc/64/76/69/948647669.db2.gz WUCFASIWORMHGP-RTXFEEFZSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1cccs1 ZINC001573741011 948647676 /nfs/dbraw/zinc/64/76/76/948647676.db2.gz WUCFASIWORMHGP-RTXFEEFZSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)c1ccco1 ZINC001573741033 948648643 /nfs/dbraw/zinc/64/86/43/948648643.db2.gz XECHTCVAAHPAOU-BIMULSAOSA-N -1 3 387.375 0.463 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)c1ccco1 ZINC001573741033 948648648 /nfs/dbraw/zinc/64/86/48/948648648.db2.gz XECHTCVAAHPAOU-BIMULSAOSA-N -1 3 387.375 0.463 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)c1ccco1 ZINC001573741140 948650786 /nfs/dbraw/zinc/65/07/86/948650786.db2.gz TUEUTGZHCZBHSQ-RTXFEEFZSA-N -1 3 388.453 0.986 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O)c1ccco1 ZINC001573741140 948650789 /nfs/dbraw/zinc/65/07/89/948650789.db2.gz TUEUTGZHCZBHSQ-RTXFEEFZSA-N -1 3 388.453 0.986 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573742642 948662807 /nfs/dbraw/zinc/66/28/07/948662807.db2.gz OMCBEQDMHJHFSZ-DOMZBBRYSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573742642 948662815 /nfs/dbraw/zinc/66/28/15/948662815.db2.gz OMCBEQDMHJHFSZ-DOMZBBRYSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573742935 948665189 /nfs/dbraw/zinc/66/51/89/948665189.db2.gz UMQXTTDBIKOMKI-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573742935 948665195 /nfs/dbraw/zinc/66/51/95/948665195.db2.gz UMQXTTDBIKOMKI-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573745467 948670406 /nfs/dbraw/zinc/67/04/06/948670406.db2.gz CJCJGFVMQLCWTB-IMIFBBOLSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCC(=O)N1 ZINC001573745467 948670411 /nfs/dbraw/zinc/67/04/11/948670411.db2.gz CJCJGFVMQLCWTB-IMIFBBOLSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573745463 948670519 /nfs/dbraw/zinc/67/05/19/948670519.db2.gz CJCJGFVMQLCWTB-AUZPSNTRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573745463 948670524 /nfs/dbraw/zinc/67/05/24/948670524.db2.gz CJCJGFVMQLCWTB-AUZPSNTRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573746086 948679457 /nfs/dbraw/zinc/67/94/57/948679457.db2.gz JCKDFBBWKQVWIX-TVYUQYBPSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573746086 948679464 /nfs/dbraw/zinc/67/94/64/948679464.db2.gz JCKDFBBWKQVWIX-TVYUQYBPSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573746373 948680592 /nfs/dbraw/zinc/68/05/92/948680592.db2.gz JKBYDUWNVGWUHY-OASPWFOLSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573746373 948680594 /nfs/dbraw/zinc/68/05/94/948680594.db2.gz JKBYDUWNVGWUHY-OASPWFOLSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573748501 948696279 /nfs/dbraw/zinc/69/62/79/948696279.db2.gz UXEJRPVASWVBCZ-GVXVVHGQSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573748501 948696290 /nfs/dbraw/zinc/69/62/90/948696290.db2.gz UXEJRPVASWVBCZ-GVXVVHGQSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573752979 948715439 /nfs/dbraw/zinc/71/54/39/948715439.db2.gz PWZPLMFRYXUSJB-RFHZTLPTSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573752979 948715447 /nfs/dbraw/zinc/71/54/47/948715447.db2.gz PWZPLMFRYXUSJB-RFHZTLPTSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573753958 948722874 /nfs/dbraw/zinc/72/28/74/948722874.db2.gz YVPUQRUOPOXQLI-VZAMPYOESA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573753958 948722878 /nfs/dbraw/zinc/72/28/78/948722878.db2.gz YVPUQRUOPOXQLI-VZAMPYOESA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1)S(C)(=O)=O ZINC001573754020 948725112 /nfs/dbraw/zinc/72/51/12/948725112.db2.gz AVAFHQWGTPMVAU-JTQLQIEISA-N -1 3 375.414 0.483 20 0 GCADHM CC(C)c1ccc(C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc1 ZINC001574416319 948744770 /nfs/dbraw/zinc/74/47/70/948744770.db2.gz QDSBDEOAMBQZQI-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)c1ccc(C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc1 ZINC001574416319 948744780 /nfs/dbraw/zinc/74/47/80/948744780.db2.gz QDSBDEOAMBQZQI-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM C[C@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574914620 948752515 /nfs/dbraw/zinc/75/25/15/948752515.db2.gz LKXAMJXXCGWIDW-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574914620 948752518 /nfs/dbraw/zinc/75/25/18/948752518.db2.gz LKXAMJXXCGWIDW-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574914837 948758160 /nfs/dbraw/zinc/75/81/60/948758160.db2.gz NUJLFGPIBXSPDT-SNVBAGLBSA-N -1 3 384.400 0.163 20 0 GCADHM C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574914837 948758169 /nfs/dbraw/zinc/75/81/69/948758169.db2.gz NUJLFGPIBXSPDT-SNVBAGLBSA-N -1 3 384.400 0.163 20 0 GCADHM C[C@@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574915120 948760146 /nfs/dbraw/zinc/76/01/46/948760146.db2.gz RBMMKOSUAZKTHL-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574915120 948760153 /nfs/dbraw/zinc/76/01/53/948760153.db2.gz RBMMKOSUAZKTHL-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001575223230 948760159 /nfs/dbraw/zinc/76/01/59/948760159.db2.gz LRXVNOQFGXVJIM-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001575223230 948760170 /nfs/dbraw/zinc/76/01/70/948760170.db2.gz LRXVNOQFGXVJIM-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001575223325 948764196 /nfs/dbraw/zinc/76/41/96/948764196.db2.gz NWPFVFLYTFCCFY-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001575223325 948764202 /nfs/dbraw/zinc/76/42/02/948764202.db2.gz NWPFVFLYTFCCFY-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001574679172 948771214 /nfs/dbraw/zinc/77/12/14/948771214.db2.gz POWZHQKCSWNGSD-NXEZZACHSA-N -1 3 383.420 0.202 20 0 GCADHM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001574679172 948771226 /nfs/dbraw/zinc/77/12/26/948771226.db2.gz POWZHQKCSWNGSD-NXEZZACHSA-N -1 3 383.420 0.202 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001573755840 948785408 /nfs/dbraw/zinc/78/54/08/948785408.db2.gz JJPPRQNSZXERSY-AUTRQRHGSA-N -1 3 376.804 0.952 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001573755840 948785417 /nfs/dbraw/zinc/78/54/17/948785417.db2.gz JJPPRQNSZXERSY-AUTRQRHGSA-N -1 3 376.804 0.952 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575224786 948795558 /nfs/dbraw/zinc/79/55/58/948795558.db2.gz YXIHPDOKVVSJMY-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575224786 948795566 /nfs/dbraw/zinc/79/55/66/948795566.db2.gz YXIHPDOKVVSJMY-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679953 948796315 /nfs/dbraw/zinc/79/63/15/948796315.db2.gz CMXICQMKPQXQKL-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679953 948796320 /nfs/dbraw/zinc/79/63/20/948796320.db2.gz CMXICQMKPQXQKL-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1C[C@H](O)[C@@H](CO)C1 ZINC001573756072 948798667 /nfs/dbraw/zinc/79/86/67/948798667.db2.gz WRGPLUUDAPKHBG-KKZNHRDASA-N -1 3 378.458 0.029 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1C[C@H](O)[C@@H](CO)C1 ZINC001573756072 948798676 /nfs/dbraw/zinc/79/86/76/948798676.db2.gz WRGPLUUDAPKHBG-KKZNHRDASA-N -1 3 378.458 0.029 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917038 948801449 /nfs/dbraw/zinc/80/14/49/948801449.db2.gz PJMDHEQENRKIEC-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917038 948801466 /nfs/dbraw/zinc/80/14/66/948801466.db2.gz PJMDHEQENRKIEC-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574917191 948810498 /nfs/dbraw/zinc/81/04/98/948810498.db2.gz TYWHCGAWKVCRKB-NSHDSACASA-N -1 3 385.407 0.988 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnccn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574917191 948810520 /nfs/dbraw/zinc/81/05/20/948810520.db2.gz TYWHCGAWKVCRKB-NSHDSACASA-N -1 3 385.407 0.988 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574917190 948812163 /nfs/dbraw/zinc/81/21/63/948812163.db2.gz TYWHCGAWKVCRKB-LLVKDONJSA-N -1 3 385.407 0.988 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574917190 948812183 /nfs/dbraw/zinc/81/21/83/948812183.db2.gz TYWHCGAWKVCRKB-LLVKDONJSA-N -1 3 385.407 0.988 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)n1cccn1 ZINC001573756370 948812753 /nfs/dbraw/zinc/81/27/53/948812753.db2.gz PGMCEOIRNKALOT-PQFRYHKHSA-N -1 3 383.391 0.409 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)n1cccn1 ZINC001573756370 948812777 /nfs/dbraw/zinc/81/27/77/948812777.db2.gz PGMCEOIRNKALOT-PQFRYHKHSA-N -1 3 383.391 0.409 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573756400 948814616 /nfs/dbraw/zinc/81/46/16/948814616.db2.gz QOSRSOBKWQFGLG-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573756400 948814635 /nfs/dbraw/zinc/81/46/35/948814635.db2.gz QOSRSOBKWQFGLG-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574081361 948827891 /nfs/dbraw/zinc/82/78/91/948827891.db2.gz SKTZMYSHGBIGLS-HNNXBMFYSA-N -1 3 376.440 0.494 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574081361 948827904 /nfs/dbraw/zinc/82/79/04/948827904.db2.gz SKTZMYSHGBIGLS-HNNXBMFYSA-N -1 3 376.440 0.494 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574917983 948832353 /nfs/dbraw/zinc/83/23/53/948832353.db2.gz DYTKXTRUHGGUSJ-NSHDSACASA-N -1 3 381.462 0.251 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574917983 948832370 /nfs/dbraw/zinc/83/23/70/948832370.db2.gz DYTKXTRUHGGUSJ-NSHDSACASA-N -1 3 381.462 0.251 20 0 GCADHM CC(F)(F)CC(=O)NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575229282 948840331 /nfs/dbraw/zinc/84/03/31/948840331.db2.gz GKPNLJXETKXURT-JTQLQIEISA-N -1 3 385.350 0.768 20 0 GCADHM CC(F)(F)CC(=O)NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575229282 948840346 /nfs/dbraw/zinc/84/03/46/948840346.db2.gz GKPNLJXETKXURT-JTQLQIEISA-N -1 3 385.350 0.768 20 0 GCADHM CC(C)(C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnc[nH]1 ZINC001573761656 948845610 /nfs/dbraw/zinc/84/56/10/948845610.db2.gz KKSXFIYEEQSXNC-UHFFFAOYSA-N -1 3 383.416 0.084 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)CC1 ZINC001574082254 948854659 /nfs/dbraw/zinc/85/46/59/948854659.db2.gz CNOZZEKBZJCJGV-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)CC1 ZINC001574082254 948854677 /nfs/dbraw/zinc/85/46/77/948854677.db2.gz CNOZZEKBZJCJGV-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)c1cnc[nH]1 ZINC001573762362 948855010 /nfs/dbraw/zinc/85/50/10/948855010.db2.gz URMONXOBQIFKLW-UHFFFAOYSA-N -1 3 385.432 0.195 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)c1cnc[nH]1 ZINC001573762362 948855034 /nfs/dbraw/zinc/85/50/34/948855034.db2.gz URMONXOBQIFKLW-UHFFFAOYSA-N -1 3 385.432 0.195 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918793 948860545 /nfs/dbraw/zinc/86/05/45/948860545.db2.gz QOGHHMYASJHAQU-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918793 948860562 /nfs/dbraw/zinc/86/05/62/948860562.db2.gz QOGHHMYASJHAQU-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1c[nH]c(=O)n1C ZINC001574684474 948869261 /nfs/dbraw/zinc/86/92/61/948869261.db2.gz HDDXAALQLBFBQH-QMMMGPOBSA-N -1 3 391.823 0.975 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1c[nH]c(=O)n1C ZINC001574684474 948869277 /nfs/dbraw/zinc/86/92/77/948869277.db2.gz HDDXAALQLBFBQH-QMMMGPOBSA-N -1 3 391.823 0.975 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001575230034 948869287 /nfs/dbraw/zinc/86/92/87/948869287.db2.gz ZYMLLLDSZWQIEL-CHWSQXEVSA-N -1 3 384.362 0.712 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001575230034 948869307 /nfs/dbraw/zinc/86/93/07/948869307.db2.gz ZYMLLLDSZWQIEL-CHWSQXEVSA-N -1 3 384.362 0.712 20 0 GCADHM CC(C)c1nnc(CN2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001574425280 948870402 /nfs/dbraw/zinc/87/04/02/948870402.db2.gz BXHFUZSLIGRYMV-LBPRGKRZSA-N -1 3 384.448 0.783 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001574082990 948872647 /nfs/dbraw/zinc/87/26/47/948872647.db2.gz NAOKRTZOJXQBKL-HNNXBMFYSA-N -1 3 398.427 0.129 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC(O)(c2cnnn2C)C1 ZINC001574082990 948872667 /nfs/dbraw/zinc/87/26/67/948872667.db2.gz NAOKRTZOJXQBKL-HNNXBMFYSA-N -1 3 398.427 0.129 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)c1cnc[nH]1 ZINC001573763457 948873094 /nfs/dbraw/zinc/87/30/94/948873094.db2.gz FPDMESDHGWHHQP-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)c1cnc[nH]1 ZINC001573763457 948873112 /nfs/dbraw/zinc/87/31/12/948873112.db2.gz FPDMESDHGWHHQP-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)c1nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001574425684 948878508 /nfs/dbraw/zinc/87/85/08/948878508.db2.gz KPCXAPNLKKHYNX-RYUDHWBXSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)c1nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001574425684 948878518 /nfs/dbraw/zinc/87/85/18/948878518.db2.gz KPCXAPNLKKHYNX-RYUDHWBXSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)c1nc(CNC2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001574425706 948878643 /nfs/dbraw/zinc/87/86/43/948878643.db2.gz LHWTWIVFBQYRFS-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001574425706 948878660 /nfs/dbraw/zinc/87/86/60/948878660.db2.gz LHWTWIVFBQYRFS-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)no1 ZINC001574425742 948879926 /nfs/dbraw/zinc/87/99/26/948879926.db2.gz MMMHLIUVQUAQFZ-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)no1 ZINC001574425742 948879947 /nfs/dbraw/zinc/87/99/47/948879947.db2.gz MMMHLIUVQUAQFZ-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CNC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)no1 ZINC001574426098 948888706 /nfs/dbraw/zinc/88/87/06/948888706.db2.gz QKIOQDIJZWCVSB-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)no1 ZINC001574426098 948888727 /nfs/dbraw/zinc/88/87/27/948888727.db2.gz QKIOQDIJZWCVSB-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)[nH]1 ZINC001574426885 948890585 /nfs/dbraw/zinc/89/05/85/948890585.db2.gz VMNDSLUUDGOPAO-PWSUYJOCSA-N -1 3 384.448 0.829 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574684888 948891330 /nfs/dbraw/zinc/89/13/30/948891330.db2.gz OLZBVNLFKCBFGF-VHSXEESVSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574684888 948891341 /nfs/dbraw/zinc/89/13/41/948891341.db2.gz OLZBVNLFKCBFGF-VHSXEESVSA-N -1 3 392.851 0.748 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CO)[C@H]1CCOC1 ZINC001574083832 948894681 /nfs/dbraw/zinc/89/46/81/948894681.db2.gz YQQXWYUEDNIQOY-NOLJZWGESA-N -1 3 375.429 0.784 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CO)[C@H]1CCOC1 ZINC001574083832 948894699 /nfs/dbraw/zinc/89/46/99/948894699.db2.gz YQQXWYUEDNIQOY-NOLJZWGESA-N -1 3 375.429 0.784 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CS(N)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573765174 948896541 /nfs/dbraw/zinc/89/65/41/948896541.db2.gz VWVSJRMMJPMPAH-LLVKDONJSA-N -1 3 378.458 0.281 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CS(N)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573765174 948896556 /nfs/dbraw/zinc/89/65/56/948896556.db2.gz VWVSJRMMJPMPAH-LLVKDONJSA-N -1 3 378.458 0.281 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574684948 948897392 /nfs/dbraw/zinc/89/73/92/948897392.db2.gz PNVXRBDRTFHMJY-GHMZBOCLSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574684948 948897411 /nfs/dbraw/zinc/89/74/11/948897411.db2.gz PNVXRBDRTFHMJY-GHMZBOCLSA-N -1 3 390.423 0.576 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CS(N)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573765175 948898257 /nfs/dbraw/zinc/89/82/57/948898257.db2.gz VWVSJRMMJPMPAH-NSHDSACASA-N -1 3 378.458 0.281 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CS(N)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573765175 948898270 /nfs/dbraw/zinc/89/82/70/948898270.db2.gz VWVSJRMMJPMPAH-NSHDSACASA-N -1 3 378.458 0.281 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574685203 948903812 /nfs/dbraw/zinc/90/38/12/948903812.db2.gz SLMJANMIYXGWGN-JOYOIKCWSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574685203 948903827 /nfs/dbraw/zinc/90/38/27/948903827.db2.gz SLMJANMIYXGWGN-JOYOIKCWSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001574685081 948903984 /nfs/dbraw/zinc/90/39/84/948903984.db2.gz SAQJTSNLOFECEF-MNOVXSKESA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001574685081 948903992 /nfs/dbraw/zinc/90/39/92/948903992.db2.gz SAQJTSNLOFECEF-MNOVXSKESA-N -1 3 390.423 0.576 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574427386 948904398 /nfs/dbraw/zinc/90/43/98/948904398.db2.gz DIFZLCDOHFOOJN-GFCCVEGCSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574427386 948904406 /nfs/dbraw/zinc/90/44/06/948904406.db2.gz DIFZLCDOHFOOJN-GFCCVEGCSA-N -1 3 384.448 0.936 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)C[C@@H]1CCNC1=O ZINC001574685259 948908582 /nfs/dbraw/zinc/90/85/82/948908582.db2.gz UIEKZJFMPQIPNQ-ZJUUUORDSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)C[C@@H]1CCNC1=O ZINC001574685259 948908596 /nfs/dbraw/zinc/90/85/96/948908596.db2.gz UIEKZJFMPQIPNQ-ZJUUUORDSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920719 948911202 /nfs/dbraw/zinc/91/12/02/948911202.db2.gz PDNNHSGOZDBWGL-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920719 948911224 /nfs/dbraw/zinc/91/12/24/948911224.db2.gz PDNNHSGOZDBWGL-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1COC(=O)C1 ZINC001574685452 948912027 /nfs/dbraw/zinc/91/20/27/948912027.db2.gz WQJCTHBQCJPOEY-NXEZZACHSA-N -1 3 377.380 0.661 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1COC(=O)C1 ZINC001574685452 948912039 /nfs/dbraw/zinc/91/20/39/948912039.db2.gz WQJCTHBQCJPOEY-NXEZZACHSA-N -1 3 377.380 0.661 20 0 GCADHM CC(C)(C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573765605 948915682 /nfs/dbraw/zinc/91/56/82/948915682.db2.gz RNJZYESPDQLFDZ-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573765605 948915689 /nfs/dbraw/zinc/91/56/89/948915689.db2.gz RNJZYESPDQLFDZ-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccs1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574921160 948918800 /nfs/dbraw/zinc/91/88/00/948918800.db2.gz UNYHKMZCEGCEML-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM CC(C)c1nccc(N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)n1 ZINC001574427863 948918842 /nfs/dbraw/zinc/91/88/42/948918842.db2.gz SVGDVMDXMDXPAD-OLZOCXBDSA-N -1 3 383.416 0.088 20 0 GCADHM CC(C)c1nccc(N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)n1 ZINC001574427863 948918854 /nfs/dbraw/zinc/91/88/54/948918854.db2.gz SVGDVMDXMDXPAD-OLZOCXBDSA-N -1 3 383.416 0.088 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccs1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574921160 948918815 /nfs/dbraw/zinc/91/88/15/948918815.db2.gz UNYHKMZCEGCEML-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574921380 948921601 /nfs/dbraw/zinc/92/16/01/948921601.db2.gz VYUAJRODTFBAJO-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574921380 948921615 /nfs/dbraw/zinc/92/16/15/948921615.db2.gz VYUAJRODTFBAJO-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574921379 948921761 /nfs/dbraw/zinc/92/17/61/948921761.db2.gz VYUAJRODTFBAJO-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574921379 948921771 /nfs/dbraw/zinc/92/17/71/948921771.db2.gz VYUAJRODTFBAJO-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)F ZINC001573765749 948924067 /nfs/dbraw/zinc/92/40/67/948924067.db2.gz CWJCFLHGHYBWEQ-IUCAKERBSA-N -1 3 379.371 0.911 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)F ZINC001573765749 948924077 /nfs/dbraw/zinc/92/40/77/948924077.db2.gz CWJCFLHGHYBWEQ-IUCAKERBSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574921442 948924319 /nfs/dbraw/zinc/92/43/19/948924319.db2.gz XIQFQCADDUHONP-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574921442 948924332 /nfs/dbraw/zinc/92/43/32/948924332.db2.gz XIQFQCADDUHONP-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)F ZINC001573765900 948926701 /nfs/dbraw/zinc/92/67/01/948926701.db2.gz PYQJSDPNCFBDAP-UWVGGRQHSA-N -1 3 379.371 0.911 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)F ZINC001573765900 948926705 /nfs/dbraw/zinc/92/67/05/948926705.db2.gz PYQJSDPNCFBDAP-UWVGGRQHSA-N -1 3 379.371 0.911 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574088502 948928427 /nfs/dbraw/zinc/92/84/27/948928427.db2.gz FTYAZMKKVCLHFS-PXAZEXFGSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574088502 948928438 /nfs/dbraw/zinc/92/84/38/948928438.db2.gz FTYAZMKKVCLHFS-PXAZEXFGSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nccn1CC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574431914 948929421 /nfs/dbraw/zinc/92/94/21/948929421.db2.gz DYOWJUKQJQXIOR-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)c1ncncc1C(=O)NCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574432214 948929995 /nfs/dbraw/zinc/92/99/95/948929995.db2.gz FOBQOACYDLKFRY-UHFFFAOYSA-N -1 3 383.416 0.658 20 0 GCADHM CC(C)c1ncncc1C(=O)NCCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574432214 948930014 /nfs/dbraw/zinc/93/00/14/948930014.db2.gz FOBQOACYDLKFRY-UHFFFAOYSA-N -1 3 383.416 0.658 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574923009 948930501 /nfs/dbraw/zinc/93/05/01/948930501.db2.gz BDOLWDKJZGRMDQ-CYBMUJFWSA-N -1 3 382.428 0.455 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574923009 948930510 /nfs/dbraw/zinc/93/05/10/948930510.db2.gz BDOLWDKJZGRMDQ-CYBMUJFWSA-N -1 3 382.428 0.455 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574432455 948932169 /nfs/dbraw/zinc/93/21/69/948932169.db2.gz JYOUNNHYAVVUQT-GFCCVEGCSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574432455 948932175 /nfs/dbraw/zinc/93/21/75/948932175.db2.gz JYOUNNHYAVVUQT-GFCCVEGCSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432297 948932740 /nfs/dbraw/zinc/93/27/40/948932740.db2.gz ITVIFPAOEHQEIJ-VXGBXAGGSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432297 948932750 /nfs/dbraw/zinc/93/27/50/948932750.db2.gz ITVIFPAOEHQEIJ-VXGBXAGGSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432295 948933437 /nfs/dbraw/zinc/93/34/37/948933437.db2.gz ITVIFPAOEHQEIJ-NWDGAFQWSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432295 948933445 /nfs/dbraw/zinc/93/34/45/948933445.db2.gz ITVIFPAOEHQEIJ-NWDGAFQWSA-N -1 3 384.448 0.982 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1coc(C(N)=O)c1 ZINC001574686546 948933839 /nfs/dbraw/zinc/93/38/39/948933839.db2.gz JICOBNJNKLWTIL-MRVPVSSYSA-N -1 3 388.363 0.713 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1coc(C(N)=O)c1 ZINC001574686546 948933852 /nfs/dbraw/zinc/93/38/52/948933852.db2.gz JICOBNJNKLWTIL-MRVPVSSYSA-N -1 3 388.363 0.713 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001574432590 948936038 /nfs/dbraw/zinc/93/60/38/948936038.db2.gz NWJNMLCMHXMNNC-HAQNSBGRSA-N -1 3 382.432 0.736 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001574432590 948936051 /nfs/dbraw/zinc/93/60/51/948936051.db2.gz NWJNMLCMHXMNNC-HAQNSBGRSA-N -1 3 382.432 0.736 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001574089091 948943913 /nfs/dbraw/zinc/94/39/13/948943913.db2.gz CPINNQCIMFVIOC-CHWSQXEVSA-N -1 3 377.424 0.926 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001574089091 948943926 /nfs/dbraw/zinc/94/39/26/948943926.db2.gz CPINNQCIMFVIOC-CHWSQXEVSA-N -1 3 377.424 0.926 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccnn1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574923375 948944442 /nfs/dbraw/zinc/94/44/42/948944442.db2.gz KYWNBZJOBXEMJS-JTQLQIEISA-N -1 3 390.839 0.761 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccnn1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574923375 948944455 /nfs/dbraw/zinc/94/44/55/948944455.db2.gz KYWNBZJOBXEMJS-JTQLQIEISA-N -1 3 390.839 0.761 20 0 GCADHM CC(C)(C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1c[nH]cn1 ZINC001573771683 948944563 /nfs/dbraw/zinc/94/45/63/948944563.db2.gz KWLHUODHUUUGMB-LLVKDONJSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574432983 948945684 /nfs/dbraw/zinc/94/56/84/948945684.db2.gz RMPQGWQEEZMZCL-GFCCVEGCSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574432983 948945694 /nfs/dbraw/zinc/94/56/94/948945694.db2.gz RMPQGWQEEZMZCL-GFCCVEGCSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574687058 948945979 /nfs/dbraw/zinc/94/59/79/948945979.db2.gz MMCCWLXQVINOEG-SKDRFNHKSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574687058 948945989 /nfs/dbraw/zinc/94/59/89/948945989.db2.gz MMCCWLXQVINOEG-SKDRFNHKSA-N -1 3 376.396 0.328 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001574089098 948945930 /nfs/dbraw/zinc/94/59/30/948945930.db2.gz CPINNQCIMFVIOC-QWHCGFSZSA-N -1 3 377.424 0.926 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001574089098 948945941 /nfs/dbraw/zinc/94/59/41/948945941.db2.gz CPINNQCIMFVIOC-QWHCGFSZSA-N -1 3 377.424 0.926 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)[C@H](O)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573771851 948947176 /nfs/dbraw/zinc/94/71/76/948947176.db2.gz MLFAQPYWXYPMAV-JKSUJKDBSA-N -1 3 382.424 0.750 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)[C@H](O)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573771851 948947188 /nfs/dbraw/zinc/94/71/88/948947188.db2.gz MLFAQPYWXYPMAV-JKSUJKDBSA-N -1 3 382.424 0.750 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCN1CCOCC1 ZINC001574687402 948948913 /nfs/dbraw/zinc/94/89/13/948948913.db2.gz OTWLLLIAYMBJNI-GFCCVEGCSA-N -1 3 392.439 0.430 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCN1CCOCC1 ZINC001574687402 948948925 /nfs/dbraw/zinc/94/89/25/948948925.db2.gz OTWLLLIAYMBJNI-GFCCVEGCSA-N -1 3 392.439 0.430 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001574687371 948950064 /nfs/dbraw/zinc/95/00/64/948950064.db2.gz OLXURAYKJQIAJB-CABZTGNLSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001574687371 948950076 /nfs/dbraw/zinc/95/00/76/948950076.db2.gz OLXURAYKJQIAJB-CABZTGNLSA-N -1 3 391.411 0.251 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574433160 948950847 /nfs/dbraw/zinc/95/08/47/948950847.db2.gz JLRUBODNIMDKJQ-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574433160 948950858 /nfs/dbraw/zinc/95/08/58/948950858.db2.gz JLRUBODNIMDKJQ-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574923480 948951321 /nfs/dbraw/zinc/95/13/21/948951321.db2.gz NVGZWECFSSIOCD-ZDUSSCGKSA-N -1 3 382.428 0.455 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574923480 948951329 /nfs/dbraw/zinc/95/13/29/948951329.db2.gz NVGZWECFSSIOCD-ZDUSSCGKSA-N -1 3 382.428 0.455 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001574433324 948952715 /nfs/dbraw/zinc/95/27/15/948952715.db2.gz UPGGUCDPOOWMNX-UHFFFAOYSA-N -1 3 382.432 0.738 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001574433324 948952730 /nfs/dbraw/zinc/95/27/30/948952730.db2.gz UPGGUCDPOOWMNX-UHFFFAOYSA-N -1 3 382.432 0.738 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573772095 948952896 /nfs/dbraw/zinc/95/28/96/948952896.db2.gz QMINMFLGCNOEHU-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573772095 948952905 /nfs/dbraw/zinc/95/29/05/948952905.db2.gz QMINMFLGCNOEHU-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574433332 948953692 /nfs/dbraw/zinc/95/36/92/948953692.db2.gz UTNCCUZSAYXEBU-ZDUSSCGKSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574433332 948953700 /nfs/dbraw/zinc/95/37/00/948953700.db2.gz UTNCCUZSAYXEBU-ZDUSSCGKSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574433380 948953888 /nfs/dbraw/zinc/95/38/88/948953888.db2.gz XDNZIAYKIXKFDK-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574433380 948953895 /nfs/dbraw/zinc/95/38/95/948953895.db2.gz XDNZIAYKIXKFDK-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574923694 948954740 /nfs/dbraw/zinc/95/47/40/948954740.db2.gz RFUGOIGTNJUJJD-SNVBAGLBSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574923694 948954747 /nfs/dbraw/zinc/95/47/47/948954747.db2.gz RFUGOIGTNJUJJD-SNVBAGLBSA-N -1 3 375.408 0.791 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCO1 ZINC001574089502 948956962 /nfs/dbraw/zinc/95/69/62/948956962.db2.gz FCWYECIIWIACHJ-XHDPSFHLSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCO1 ZINC001574089502 948956973 /nfs/dbraw/zinc/95/69/73/948956973.db2.gz FCWYECIIWIACHJ-XHDPSFHLSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574923826 948958643 /nfs/dbraw/zinc/95/86/43/948958643.db2.gz SGPNRARHIGPRAV-ZDUSSCGKSA-N -1 3 382.428 0.455 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574923826 948958651 /nfs/dbraw/zinc/95/86/51/948958651.db2.gz SGPNRARHIGPRAV-ZDUSSCGKSA-N -1 3 382.428 0.455 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574923825 948960052 /nfs/dbraw/zinc/96/00/52/948960052.db2.gz SGPNRARHIGPRAV-CYBMUJFWSA-N -1 3 382.428 0.455 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574923825 948960070 /nfs/dbraw/zinc/96/00/70/948960070.db2.gz SGPNRARHIGPRAV-CYBMUJFWSA-N -1 3 382.428 0.455 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001575239831 948964876 /nfs/dbraw/zinc/96/48/76/948964876.db2.gz VSJMIKRRBLYTIB-VXGBXAGGSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001575239831 948964885 /nfs/dbraw/zinc/96/48/85/948964885.db2.gz VSJMIKRRBLYTIB-VXGBXAGGSA-N -1 3 381.387 0.753 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574688799 948969337 /nfs/dbraw/zinc/96/93/37/948969337.db2.gz ZKLZKPXUGNDGLW-GHMZBOCLSA-N -1 3 381.462 0.249 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001574688799 948969353 /nfs/dbraw/zinc/96/93/53/948969353.db2.gz ZKLZKPXUGNDGLW-GHMZBOCLSA-N -1 3 381.462 0.249 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001575240106 948970323 /nfs/dbraw/zinc/97/03/23/948970323.db2.gz ZGMXWYZKRWMGMR-RYUDHWBXSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001575240106 948970334 /nfs/dbraw/zinc/97/03/34/948970334.db2.gz ZGMXWYZKRWMGMR-RYUDHWBXSA-N -1 3 381.387 0.753 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574925530 948974566 /nfs/dbraw/zinc/97/45/66/948974566.db2.gz AUOOAAFJFNEXKW-ZDUSSCGKSA-N -1 3 386.460 0.605 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574925530 948974577 /nfs/dbraw/zinc/97/45/77/948974577.db2.gz AUOOAAFJFNEXKW-ZDUSSCGKSA-N -1 3 386.460 0.605 20 0 GCADHM CC(C)c1nnc(CN[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)o1 ZINC001574434022 948974864 /nfs/dbraw/zinc/97/48/64/948974864.db2.gz CXUCXTKXMCCQNY-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)C1CCOCC1 ZINC001573773149 948975266 /nfs/dbraw/zinc/97/52/66/948975266.db2.gz IADWFABIMLPNHC-CQSZACIVSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)C1CCOCC1 ZINC001573773149 948975277 /nfs/dbraw/zinc/97/52/77/948975277.db2.gz IADWFABIMLPNHC-CQSZACIVSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCCO1 ZINC001573773135 948975406 /nfs/dbraw/zinc/97/54/06/948975406.db2.gz HVDFBNKJGFGVNH-ZIAGYGMSSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCCO1 ZINC001573773135 948975418 /nfs/dbraw/zinc/97/54/18/948975418.db2.gz HVDFBNKJGFGVNH-ZIAGYGMSSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573773345 948979855 /nfs/dbraw/zinc/97/98/55/948979855.db2.gz LIBAXFGMXOQKEY-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573773345 948979869 /nfs/dbraw/zinc/97/98/69/948979869.db2.gz LIBAXFGMXOQKEY-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574090209 948980878 /nfs/dbraw/zinc/98/08/78/948980878.db2.gz LZQONMIDJAFCEH-FZKQIMNGSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574090209 948980892 /nfs/dbraw/zinc/98/08/92/948980892.db2.gz LZQONMIDJAFCEH-FZKQIMNGSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574434649 948982754 /nfs/dbraw/zinc/98/27/54/948982754.db2.gz LRTZGBRRILZWCC-UHFFFAOYSA-N -1 3 390.477 0.286 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)c1cccnc1 ZINC001573773607 948985333 /nfs/dbraw/zinc/98/53/33/948985333.db2.gz NCTCWTSGQTUUCZ-AWEZNQCLSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)c1cccnc1 ZINC001573773607 948985344 /nfs/dbraw/zinc/98/53/44/948985344.db2.gz NCTCWTSGQTUUCZ-AWEZNQCLSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)c1c[nH]cn1 ZINC001573773580 948986056 /nfs/dbraw/zinc/98/60/56/948986056.db2.gz MJGDLJUTIAXYMK-SNVBAGLBSA-N -1 3 388.407 0.596 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)c1c[nH]cn1 ZINC001573773580 948986071 /nfs/dbraw/zinc/98/60/71/948986071.db2.gz MJGDLJUTIAXYMK-SNVBAGLBSA-N -1 3 388.407 0.596 20 0 GCADHM CC(C)c1nnc(CN[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)o1 ZINC001574434984 948986710 /nfs/dbraw/zinc/98/67/10/948986710.db2.gz NZAXSICWAZQQIR-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)o1 ZINC001574434984 948986721 /nfs/dbraw/zinc/98/67/21/948986721.db2.gz NZAXSICWAZQQIR-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573773502 948987664 /nfs/dbraw/zinc/98/76/64/948987664.db2.gz CMINYGLWEYRNOO-LBPRGKRZSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573773502 948987676 /nfs/dbraw/zinc/98/76/76/948987676.db2.gz CMINYGLWEYRNOO-LBPRGKRZSA-N -1 3 389.460 0.618 20 0 GCADHM C[C@@H](F)CCN1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001575243194 948991688 /nfs/dbraw/zinc/99/16/88/948991688.db2.gz NXYDDMOBXFRFGT-DGCLKSJQSA-N -1 3 377.424 0.906 20 0 GCADHM C[C@@H](F)CCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001575243147 948992944 /nfs/dbraw/zinc/99/29/44/948992944.db2.gz NKVXZDUENHBGEC-YPMHNXCESA-N -1 3 377.424 0.906 20 0 GCADHM C[C@@H](F)CCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001575243147 948992956 /nfs/dbraw/zinc/99/29/56/948992956.db2.gz NKVXZDUENHBGEC-YPMHNXCESA-N -1 3 377.424 0.906 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001574435407 948993399 /nfs/dbraw/zinc/99/33/99/948993399.db2.gz UVNMQVPHVWGTLB-UHFFFAOYSA-N -1 3 388.411 0.686 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001574435407 948993413 /nfs/dbraw/zinc/99/34/13/948993413.db2.gz UVNMQVPHVWGTLB-UHFFFAOYSA-N -1 3 388.411 0.686 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574435332 948994544 /nfs/dbraw/zinc/99/45/44/948994544.db2.gz TUTLLWOZJBSJSA-SECBINFHSA-N -1 3 389.399 0.128 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574435332 948994557 /nfs/dbraw/zinc/99/45/57/948994557.db2.gz TUTLLWOZJBSJSA-SECBINFHSA-N -1 3 389.399 0.128 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574090743 948995271 /nfs/dbraw/zinc/99/52/71/948995271.db2.gz NRJDRVJIWJMPJC-APPDUMDISA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574090743 948995282 /nfs/dbraw/zinc/99/52/82/948995282.db2.gz NRJDRVJIWJMPJC-APPDUMDISA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nnc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001574435338 948995828 /nfs/dbraw/zinc/99/58/28/948995828.db2.gz TYLYSOFMBZWUEW-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001574435338 948995838 /nfs/dbraw/zinc/99/58/38/948995838.db2.gz TYLYSOFMBZWUEW-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574090878 948998348 /nfs/dbraw/zinc/99/83/48/948998348.db2.gz JSTPYFBDSCYFOK-WFASDCNBSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574090878 948998354 /nfs/dbraw/zinc/99/83/54/948998354.db2.gz JSTPYFBDSCYFOK-WFASDCNBSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574926464 949004496 /nfs/dbraw/zinc/00/44/96/949004496.db2.gz RIFRBFPNHMBNRO-LLVKDONJSA-N -1 3 390.423 0.720 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574926464 949004510 /nfs/dbraw/zinc/00/45/10/949004510.db2.gz RIFRBFPNHMBNRO-LLVKDONJSA-N -1 3 390.423 0.720 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574439483 949005774 /nfs/dbraw/zinc/00/57/74/949005774.db2.gz FOXVEAYRNGVVEK-XYPYZODXSA-N -1 3 383.420 0.131 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574439483 949005790 /nfs/dbraw/zinc/00/57/90/949005790.db2.gz FOXVEAYRNGVVEK-XYPYZODXSA-N -1 3 383.420 0.131 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439515 949009482 /nfs/dbraw/zinc/00/94/82/949009482.db2.gz GFAUDEKDBJLXQQ-VHSXEESVSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439515 949009497 /nfs/dbraw/zinc/00/94/97/949009497.db2.gz GFAUDEKDBJLXQQ-VHSXEESVSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@@H](F)CCN1CC2(C1)CC[C@@H](CNC(=O)c1ccc(-c3nn[n-]n3)[nH]1)O2 ZINC001575244189 949010147 /nfs/dbraw/zinc/01/01/47/949010147.db2.gz XKNHUHGDBNBCKY-NEPJUHHUSA-N -1 3 377.424 0.906 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574926652 949010516 /nfs/dbraw/zinc/01/05/16/949010516.db2.gz BWMILXPTBNTQIQ-NSHDSACASA-N -1 3 381.400 0.003 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574926652 949010532 /nfs/dbraw/zinc/01/05/32/949010532.db2.gz BWMILXPTBNTQIQ-NSHDSACASA-N -1 3 381.400 0.003 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573774525 949010680 /nfs/dbraw/zinc/01/06/80/949010680.db2.gz UFZFHLIKRQNMAO-UHFFFAOYSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573774525 949010695 /nfs/dbraw/zinc/01/06/95/949010695.db2.gz UFZFHLIKRQNMAO-UHFFFAOYSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1nnsc1C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574439800 949012281 /nfs/dbraw/zinc/01/22/81/949012281.db2.gz IUXSJUQWSSVWLU-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM CC(C)c1nnsc1C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574439800 949012297 /nfs/dbraw/zinc/01/22/97/949012297.db2.gz IUXSJUQWSSVWLU-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1c[nH]cn1 ZINC001573774516 949014370 /nfs/dbraw/zinc/01/43/70/949014370.db2.gz TXLBSSTVSLAVDF-NSHDSACASA-N -1 3 385.407 0.797 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574439834 949016225 /nfs/dbraw/zinc/01/62/25/949016225.db2.gz JTDCBCMTHJZVMW-ONGXEEELSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574439834 949016242 /nfs/dbraw/zinc/01/62/42/949016242.db2.gz JTDCBCMTHJZVMW-ONGXEEELSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573774605 949017554 /nfs/dbraw/zinc/01/75/54/949017554.db2.gz OUFBTGPLVGBQNF-QMMMGPOBSA-N -1 3 391.329 0.878 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573774605 949017574 /nfs/dbraw/zinc/01/75/74/949017574.db2.gz OUFBTGPLVGBQNF-QMMMGPOBSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574926806 949022173 /nfs/dbraw/zinc/02/21/73/949022173.db2.gz XTUHWQVPZUQFEL-JTQLQIEISA-N -1 3 392.851 0.844 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574926806 949022154 /nfs/dbraw/zinc/02/21/54/949022154.db2.gz XTUHWQVPZUQFEL-JTQLQIEISA-N -1 3 392.851 0.844 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574926766 949023331 /nfs/dbraw/zinc/02/33/31/949023331.db2.gz XDETYCIUHSSNRM-CYBMUJFWSA-N -1 3 386.460 0.829 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574926766 949023353 /nfs/dbraw/zinc/02/33/53/949023353.db2.gz XDETYCIUHSSNRM-CYBMUJFWSA-N -1 3 386.460 0.829 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574440100 949023635 /nfs/dbraw/zinc/02/36/35/949023635.db2.gz NJIJNVDQLRMOFT-ONGXEEELSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440100 949023646 /nfs/dbraw/zinc/02/36/46/949023646.db2.gz NJIJNVDQLRMOFT-ONGXEEELSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001575502223 949024527 /nfs/dbraw/zinc/02/45/27/949024527.db2.gz JAWHUHOULAFLNR-SNPRPXQTSA-N -1 3 392.423 0.914 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001575502223 949024545 /nfs/dbraw/zinc/02/45/45/949024545.db2.gz JAWHUHOULAFLNR-SNPRPXQTSA-N -1 3 392.423 0.914 20 0 GCADHM C[C@H](CNC(=O)CN1CCOCC1=O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574926888 949025483 /nfs/dbraw/zinc/02/54/83/949025483.db2.gz CMMBJWJCHWEQKQ-NSHDSACASA-N -1 3 391.407 0.029 20 0 GCADHM C[C@H](CNC(=O)CN1CCOCC1=O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574926888 949025503 /nfs/dbraw/zinc/02/55/03/949025503.db2.gz CMMBJWJCHWEQKQ-NSHDSACASA-N -1 3 391.407 0.029 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574926902 949025532 /nfs/dbraw/zinc/02/55/32/949025532.db2.gz CYIHXVWCXOUIRY-LBPRGKRZSA-N -1 3 387.448 0.008 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574926902 949025553 /nfs/dbraw/zinc/02/55/53/949025553.db2.gz CYIHXVWCXOUIRY-LBPRGKRZSA-N -1 3 387.448 0.008 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573774888 949026696 /nfs/dbraw/zinc/02/66/96/949026696.db2.gz YAYBPNFRKDBBTN-UHFFFAOYSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573774888 949026719 /nfs/dbraw/zinc/02/67/19/949026719.db2.gz YAYBPNFRKDBBTN-UHFFFAOYSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCO1 ZINC001574091797 949030327 /nfs/dbraw/zinc/03/03/27/949030327.db2.gz MBQDEEUFFBBFJS-XHDPSFHLSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCO1 ZINC001574091797 949030344 /nfs/dbraw/zinc/03/03/44/949030344.db2.gz MBQDEEUFFBBFJS-XHDPSFHLSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575245862 949031358 /nfs/dbraw/zinc/03/13/58/949031358.db2.gz DPXOEGDAHPRIPV-ZJUUUORDSA-N -1 3 392.439 0.868 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCO1 ZINC001574091795 949031223 /nfs/dbraw/zinc/03/12/23/949031223.db2.gz MBQDEEUFFBBFJS-NHYWBVRUSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCO1 ZINC001574091795 949031244 /nfs/dbraw/zinc/03/12/44/949031244.db2.gz MBQDEEUFFBBFJS-NHYWBVRUSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575245862 949031337 /nfs/dbraw/zinc/03/13/37/949031337.db2.gz DPXOEGDAHPRIPV-ZJUUUORDSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001575502969 949033956 /nfs/dbraw/zinc/03/39/56/949033956.db2.gz MEYBAJOCHLJTFN-CVGURMSBSA-N -1 3 392.423 0.675 20 0 GCADHM C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001575502969 949033974 /nfs/dbraw/zinc/03/39/74/949033974.db2.gz MEYBAJOCHLJTFN-CVGURMSBSA-N -1 3 392.423 0.675 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575246499 949036304 /nfs/dbraw/zinc/03/63/04/949036304.db2.gz GSLXSXHEKLRXBM-NEPJUHHUSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575246499 949036281 /nfs/dbraw/zinc/03/62/81/949036281.db2.gz GSLXSXHEKLRXBM-NEPJUHHUSA-N -1 3 388.476 0.753 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574440855 949037740 /nfs/dbraw/zinc/03/77/40/949037740.db2.gz WQZGDKWHHHZYGK-JTQLQIEISA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574440855 949037757 /nfs/dbraw/zinc/03/77/57/949037757.db2.gz WQZGDKWHHHZYGK-JTQLQIEISA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)(C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1c[nH]cn1 ZINC001573775441 949038550 /nfs/dbraw/zinc/03/85/50/949038550.db2.gz WPUBEPQMYAIBNG-LLVKDONJSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574091922 949040338 /nfs/dbraw/zinc/04/03/38/949040338.db2.gz PWPDQBCAFLTFSE-OLZOCXBDSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574091922 949040354 /nfs/dbraw/zinc/04/03/54/949040354.db2.gz PWPDQBCAFLTFSE-OLZOCXBDSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)(C(=O)NC[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1c[nH]cn1 ZINC001573775452 949040680 /nfs/dbraw/zinc/04/06/80/949040680.db2.gz WUXJMEGNIBFOST-LLVKDONJSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1c[nH]cn1 ZINC001573775452 949040697 /nfs/dbraw/zinc/04/06/97/949040697.db2.gz WUXJMEGNIBFOST-LLVKDONJSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)c1noc(CNC2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574440906 949042980 /nfs/dbraw/zinc/04/29/80/949042980.db2.gz YMPKUBZNZDENIB-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CNC2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574440906 949042998 /nfs/dbraw/zinc/04/29/98/949042998.db2.gz YMPKUBZNZDENIB-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574927755 949043896 /nfs/dbraw/zinc/04/38/96/949043896.db2.gz KNKBMUIVFGKIAU-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574927755 949043916 /nfs/dbraw/zinc/04/39/16/949043916.db2.gz KNKBMUIVFGKIAU-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574927462 949046312 /nfs/dbraw/zinc/04/63/12/949046312.db2.gz JASZMAIEISIZDN-GFCCVEGCSA-N -1 3 380.412 0.608 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574927462 949046330 /nfs/dbraw/zinc/04/63/30/949046330.db2.gz JASZMAIEISIZDN-GFCCVEGCSA-N -1 3 380.412 0.608 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574927891 949048519 /nfs/dbraw/zinc/04/85/19/949048519.db2.gz MHMWMDFSDYZKSL-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574927891 949048539 /nfs/dbraw/zinc/04/85/39/949048539.db2.gz MHMWMDFSDYZKSL-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574927913 949050069 /nfs/dbraw/zinc/05/00/69/949050069.db2.gz MLJSNQRBKBEEKX-SNVBAGLBSA-N -1 3 375.408 0.473 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574927913 949050087 /nfs/dbraw/zinc/05/00/87/949050087.db2.gz MLJSNQRBKBEEKX-SNVBAGLBSA-N -1 3 375.408 0.473 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574441116 949051691 /nfs/dbraw/zinc/05/16/91/949051691.db2.gz BVYKWPIIYJMPFG-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574441116 949051717 /nfs/dbraw/zinc/05/17/17/949051717.db2.gz BVYKWPIIYJMPFG-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1c[nH]cn1 ZINC001573779271 949056448 /nfs/dbraw/zinc/05/64/48/949056448.db2.gz GAMGQAIEESVWJA-GFCCVEGCSA-N -1 3 381.444 0.905 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1c[nH]cn1 ZINC001573779271 949056468 /nfs/dbraw/zinc/05/64/68/949056468.db2.gz GAMGQAIEESVWJA-GFCCVEGCSA-N -1 3 381.444 0.905 20 0 GCADHM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001575503996 949057295 /nfs/dbraw/zinc/05/72/95/949057295.db2.gz QQBAEOLVAVLBAW-YYWXWVFPSA-N -1 3 392.423 0.675 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574092245 949057257 /nfs/dbraw/zinc/05/72/57/949057257.db2.gz MVWAYRHTBUOBTB-QWHCGFSZSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574092245 949057266 /nfs/dbraw/zinc/05/72/66/949057266.db2.gz MVWAYRHTBUOBTB-QWHCGFSZSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001575503996 949057319 /nfs/dbraw/zinc/05/73/19/949057319.db2.gz QQBAEOLVAVLBAW-YYWXWVFPSA-N -1 3 392.423 0.675 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ncccc1-c1nn[n-]n1 ZINC001574928602 949057839 /nfs/dbraw/zinc/05/78/39/949057839.db2.gz PMJMHIVVNFQBFT-LBPRGKRZSA-N -1 3 388.476 0.978 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ncccc1-c1nnn[n-]1 ZINC001574928602 949057825 /nfs/dbraw/zinc/05/78/25/949057825.db2.gz PMJMHIVVNFQBFT-LBPRGKRZSA-N -1 3 388.476 0.978 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574441419 949058403 /nfs/dbraw/zinc/05/84/03/949058403.db2.gz JWPPFRYOZCNHGA-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574441419 949058428 /nfs/dbraw/zinc/05/84/28/949058428.db2.gz JWPPFRYOZCNHGA-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nsc(NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574441505 949060884 /nfs/dbraw/zinc/06/08/84/949060884.db2.gz NAPZSJHBLGRBCI-VIFPVBQESA-N -1 3 377.434 0.373 20 0 GCADHM CC(C)c1nsc(NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574441505 949060905 /nfs/dbraw/zinc/06/09/05/949060905.db2.gz NAPZSJHBLGRBCI-VIFPVBQESA-N -1 3 377.434 0.373 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575248148 949061783 /nfs/dbraw/zinc/06/17/83/949061783.db2.gz OKTJGOHUZIBRDW-NEPJUHHUSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575248148 949061766 /nfs/dbraw/zinc/06/17/66/949061766.db2.gz OKTJGOHUZIBRDW-NEPJUHHUSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575504261 949063468 /nfs/dbraw/zinc/06/34/68/949063468.db2.gz PFGUAWZZZPHUED-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575504261 949063492 /nfs/dbraw/zinc/06/34/92/949063492.db2.gz PFGUAWZZZPHUED-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1c[nH]cn1 ZINC001573779494 949064011 /nfs/dbraw/zinc/06/40/11/949064011.db2.gz KAZGMKIIMJEKDY-LLVKDONJSA-N -1 3 383.416 0.226 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C(N)=O)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575248175 949064848 /nfs/dbraw/zinc/06/48/48/949064848.db2.gz PABKZPPNECHJLV-VIFPVBQESA-N -1 3 377.474 0.376 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574693791 949066087 /nfs/dbraw/zinc/06/60/87/949066087.db2.gz JKCOGIDBLQXYSH-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574693791 949066106 /nfs/dbraw/zinc/06/61/06/949066106.db2.gz JKCOGIDBLQXYSH-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575248298 949071563 /nfs/dbraw/zinc/07/15/63/949071563.db2.gz QKPLNFUXNXYTJW-VXGBXAGGSA-N -1 3 386.460 0.494 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575248298 949071584 /nfs/dbraw/zinc/07/15/84/949071584.db2.gz QKPLNFUXNXYTJW-VXGBXAGGSA-N -1 3 386.460 0.494 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574694364 949074181 /nfs/dbraw/zinc/07/41/81/949074181.db2.gz ODFZLZAFMRLCID-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574694364 949074202 /nfs/dbraw/zinc/07/42/02/949074202.db2.gz ODFZLZAFMRLCID-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM CC(C)c1nsc(N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574441732 949074643 /nfs/dbraw/zinc/07/46/43/949074643.db2.gz VDDNYFMNOBQPHI-MRVPVSSYSA-N -1 3 377.434 0.373 20 0 GCADHM CC(C)c1nsc(N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574441732 949074661 /nfs/dbraw/zinc/07/46/61/949074661.db2.gz VDDNYFMNOBQPHI-MRVPVSSYSA-N -1 3 377.434 0.373 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574929079 949078723 /nfs/dbraw/zinc/07/87/23/949078723.db2.gz XPIQUOKEDPZZSU-GFCCVEGCSA-N -1 3 387.448 0.008 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574929079 949078743 /nfs/dbraw/zinc/07/87/43/949078743.db2.gz XPIQUOKEDPZZSU-GFCCVEGCSA-N -1 3 387.448 0.008 20 0 GCADHM CC(C)(C(=O)NCC1(S(N)(=O)=O)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573780069 949080240 /nfs/dbraw/zinc/08/02/40/949080240.db2.gz QXVANPMTGCKLBN-UHFFFAOYSA-N -1 3 378.458 0.472 20 0 GCADHM CC(C)(C(=O)NCC1(S(N)(=O)=O)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573780069 949080261 /nfs/dbraw/zinc/08/02/61/949080261.db2.gz QXVANPMTGCKLBN-UHFFFAOYSA-N -1 3 378.458 0.472 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574092814 949080555 /nfs/dbraw/zinc/08/05/55/949080555.db2.gz SVVPGKRUDZCLQB-CHWSQXEVSA-N -1 3 376.486 0.883 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575248862 949081718 /nfs/dbraw/zinc/08/17/18/949081718.db2.gz WQQZGDDZFBDJOZ-NWDGAFQWSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575248862 949081738 /nfs/dbraw/zinc/08/17/38/949081738.db2.gz WQQZGDDZFBDJOZ-NWDGAFQWSA-N -1 3 386.460 0.507 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574441976 949086641 /nfs/dbraw/zinc/08/66/41/949086641.db2.gz HMWGPHOJGXBFKW-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574441976 949086659 /nfs/dbraw/zinc/08/66/59/949086659.db2.gz HMWGPHOJGXBFKW-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574929253 949088534 /nfs/dbraw/zinc/08/85/34/949088534.db2.gz BMYKZFWAIXAMSH-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@H](CNC(=O)COCc1ccncc1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574929253 949088554 /nfs/dbraw/zinc/08/85/54/949088554.db2.gz BMYKZFWAIXAMSH-CYBMUJFWSA-N -1 3 382.428 0.814 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1c[nH]cn1 ZINC001573780354 949088911 /nfs/dbraw/zinc/08/89/11/949088911.db2.gz WVHRFNTVRRDYGP-GFCCVEGCSA-N -1 3 381.444 0.905 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1c[nH]cn1 ZINC001573780352 949091917 /nfs/dbraw/zinc/09/19/17/949091917.db2.gz WQUZPJQNEKSWLG-GFCCVEGCSA-N -1 3 381.444 0.905 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1c[nH]cn1 ZINC001573780352 949091936 /nfs/dbraw/zinc/09/19/36/949091936.db2.gz WQUZPJQNEKSWLG-GFCCVEGCSA-N -1 3 381.444 0.905 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574929332 949092879 /nfs/dbraw/zinc/09/28/79/949092879.db2.gz CZIUAYRNKLCARF-OLZOCXBDSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574929332 949092903 /nfs/dbraw/zinc/09/29/03/949092903.db2.gz CZIUAYRNKLCARF-OLZOCXBDSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575504924 949095229 /nfs/dbraw/zinc/09/52/29/949095229.db2.gz ZCARTHIHOOLXFV-STQMWFEESA-N -1 3 380.412 0.819 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575504924 949095251 /nfs/dbraw/zinc/09/52/51/949095251.db2.gz ZCARTHIHOOLXFV-STQMWFEESA-N -1 3 380.412 0.819 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575504922 949095554 /nfs/dbraw/zinc/09/55/54/949095554.db2.gz ZCARTHIHOOLXFV-OLZOCXBDSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575504922 949095572 /nfs/dbraw/zinc/09/55/72/949095572.db2.gz ZCARTHIHOOLXFV-OLZOCXBDSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@H](NC(=O)C(C)(C)F)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575249406 949099181 /nfs/dbraw/zinc/09/91/81/949099181.db2.gz BNJMLFLDKYZMSF-JOYOIKCWSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@H](NC(=O)C(C)(C)F)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575249406 949099200 /nfs/dbraw/zinc/09/92/00/949099200.db2.gz BNJMLFLDKYZMSF-JOYOIKCWSA-N -1 3 379.396 0.289 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)F ZINC001573781440 949104120 /nfs/dbraw/zinc/10/41/20/949104120.db2.gz HABQNKZTZFZLMO-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)F ZINC001573781440 949104132 /nfs/dbraw/zinc/10/41/32/949104132.db2.gz HABQNKZTZFZLMO-UHFFFAOYSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@H](NC(=O)[C@H](C)n1cncn1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575250321 949111669 /nfs/dbraw/zinc/11/16/69/949111669.db2.gz DRHDUISALRWWMC-QWRGUYRKSA-N -1 3 387.473 0.717 20 0 GCADHM C[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)C(N)=O ZINC001575509453 949111998 /nfs/dbraw/zinc/11/19/98/949111998.db2.gz CDWYCNQPUSIPDS-IINYFYTJSA-N -1 3 387.425 0.198 20 0 GCADHM C[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)C(N)=O ZINC001575509453 949112010 /nfs/dbraw/zinc/11/20/10/949112010.db2.gz CDWYCNQPUSIPDS-IINYFYTJSA-N -1 3 387.425 0.198 20 0 GCADHM C[C@H](CNC(=O)COCc1ccncc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574931155 949113642 /nfs/dbraw/zinc/11/36/42/949113642.db2.gz NVWYEZBXROGVBQ-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](CNC(=O)COCc1ccncc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574931155 949113651 /nfs/dbraw/zinc/11/36/51/949113651.db2.gz NVWYEZBXROGVBQ-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)C(F)F ZINC001573781981 949114706 /nfs/dbraw/zinc/11/47/06/949114706.db2.gz NVFUUFDPOQXUQT-LLVKDONJSA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)C(F)F ZINC001573781981 949114721 /nfs/dbraw/zinc/11/47/21/949114721.db2.gz NVFUUFDPOQXUQT-LLVKDONJSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccncc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574931157 949115478 /nfs/dbraw/zinc/11/54/78/949115478.db2.gz NVWYEZBXROGVBQ-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccncc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574931157 949115489 /nfs/dbraw/zinc/11/54/89/949115489.db2.gz NVWYEZBXROGVBQ-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573782342 949119083 /nfs/dbraw/zinc/11/90/83/949119083.db2.gz SGUGYBYJMFYFDV-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573782342 949119094 /nfs/dbraw/zinc/11/90/94/949119094.db2.gz SGUGYBYJMFYFDV-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574446082 949121676 /nfs/dbraw/zinc/12/16/76/949121676.db2.gz HZODPYKZJJXIAP-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574446082 949121690 /nfs/dbraw/zinc/12/16/90/949121690.db2.gz HZODPYKZJJXIAP-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575250996 949124401 /nfs/dbraw/zinc/12/44/01/949124401.db2.gz JVGGNLSZBMELAP-OLZOCXBDSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575250996 949124418 /nfs/dbraw/zinc/12/44/18/949124418.db2.gz JVGGNLSZBMELAP-OLZOCXBDSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575251068 949126422 /nfs/dbraw/zinc/12/64/22/949126422.db2.gz KQPHWHYNKUKUQS-VXGBXAGGSA-N -1 3 384.444 0.248 20 0 GCADHM C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575251068 949126413 /nfs/dbraw/zinc/12/64/13/949126413.db2.gz KQPHWHYNKUKUQS-VXGBXAGGSA-N -1 3 384.444 0.248 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575251213 949133549 /nfs/dbraw/zinc/13/35/49/949133549.db2.gz MDQUALUJHWFKJR-NXEZZACHSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575251213 949133535 /nfs/dbraw/zinc/13/35/35/949133535.db2.gz MDQUALUJHWFKJR-NXEZZACHSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@H](c1cccc(F)c1)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001575512272 949137115 /nfs/dbraw/zinc/13/71/15/949137115.db2.gz NKVFXRJHVMQUMG-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)C(F)F ZINC001573782994 949138365 /nfs/dbraw/zinc/13/83/65/949138365.db2.gz ZOYXJTVRTIIZQM-NSHDSACASA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)(C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)C(F)F ZINC001573782994 949138376 /nfs/dbraw/zinc/13/83/76/949138376.db2.gz ZOYXJTVRTIIZQM-NSHDSACASA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574446962 949144381 /nfs/dbraw/zinc/14/43/81/949144381.db2.gz CUQAGFJNIHUYNB-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574446962 949144392 /nfs/dbraw/zinc/14/43/92/949144392.db2.gz CUQAGFJNIHUYNB-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934015 949147162 /nfs/dbraw/zinc/14/71/62/949147162.db2.gz APNFSVCIKZBNKV-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934015 949147170 /nfs/dbraw/zinc/14/71/70/949147170.db2.gz APNFSVCIKZBNKV-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574934398 949160262 /nfs/dbraw/zinc/16/02/62/949160262.db2.gz HGMLCUWAOSJYAI-GFCCVEGCSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574934398 949160277 /nfs/dbraw/zinc/16/02/77/949160277.db2.gz HGMLCUWAOSJYAI-GFCCVEGCSA-N -1 3 385.432 0.153 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574447616 949164859 /nfs/dbraw/zinc/16/48/59/949164859.db2.gz UXIQILWEJVEKTI-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574447616 949164879 /nfs/dbraw/zinc/16/48/79/949164879.db2.gz UXIQILWEJVEKTI-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573787140 949167207 /nfs/dbraw/zinc/16/72/07/949167207.db2.gz NBAJEWCILUALPF-MGCOHNPYSA-N -1 3 379.446 0.144 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573787140 949167229 /nfs/dbraw/zinc/16/72/29/949167229.db2.gz NBAJEWCILUALPF-MGCOHNPYSA-N -1 3 379.446 0.144 20 0 GCADHM CC(C)c1ocnc1C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574447662 949169236 /nfs/dbraw/zinc/16/92/36/949169236.db2.gz WHLBTVCLNAYRSR-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1ocnc1C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574447662 949169248 /nfs/dbraw/zinc/16/92/48/949169248.db2.gz WHLBTVCLNAYRSR-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1ocnc1C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574447687 949170596 /nfs/dbraw/zinc/17/05/96/949170596.db2.gz XKZAOUHHJYVOEV-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1ocnc1C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574447687 949170613 /nfs/dbraw/zinc/17/06/13/949170613.db2.gz XKZAOUHHJYVOEV-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574934686 949171712 /nfs/dbraw/zinc/17/17/12/949171712.db2.gz OCXDKUGPBAJCNB-JTQLQIEISA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574934686 949171725 /nfs/dbraw/zinc/17/17/25/949171725.db2.gz OCXDKUGPBAJCNB-JTQLQIEISA-N -1 3 381.462 0.392 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934759 949175602 /nfs/dbraw/zinc/17/56/02/949175602.db2.gz PZEAOKBMJBCYQY-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934759 949175622 /nfs/dbraw/zinc/17/56/22/949175622.db2.gz PZEAOKBMJBCYQY-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934891 949181907 /nfs/dbraw/zinc/18/19/07/949181907.db2.gz UHITYQBXMPXISB-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934891 949181916 /nfs/dbraw/zinc/18/19/16/949181916.db2.gz UHITYQBXMPXISB-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574934940 949186412 /nfs/dbraw/zinc/18/64/12/949186412.db2.gz VQMWJMHRWOMXKW-JTQLQIEISA-N -1 3 389.395 0.268 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574934940 949186430 /nfs/dbraw/zinc/18/64/30/949186430.db2.gz VQMWJMHRWOMXKW-JTQLQIEISA-N -1 3 389.395 0.268 20 0 GCADHM CC(C)CC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574100294 949191995 /nfs/dbraw/zinc/19/19/95/949191995.db2.gz UCWXPMUUKVGZPD-CQSZACIVSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N(CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574100294 949192001 /nfs/dbraw/zinc/19/20/01/949192001.db2.gz UCWXPMUUKVGZPD-CQSZACIVSA-N -1 3 389.460 0.666 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)CNc1ncccc1-c1nnn[n-]1 ZINC001574935057 949192149 /nfs/dbraw/zinc/19/21/49/949192149.db2.gz YGSIJNIUBNFHOU-LBPRGKRZSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@@H](CNC(=O)COCc1nccn1C)CNc1ncccc1-c1nn[n-]n1 ZINC001574935057 949192161 /nfs/dbraw/zinc/19/21/61/949192161.db2.gz YGSIJNIUBNFHOU-LBPRGKRZSA-N -1 3 385.432 0.376 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574448870 949193300 /nfs/dbraw/zinc/19/33/00/949193300.db2.gz NYEPUDFFSQMJPZ-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574448870 949193315 /nfs/dbraw/zinc/19/33/15/949193315.db2.gz NYEPUDFFSQMJPZ-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001573788519 949196396 /nfs/dbraw/zinc/19/63/96/949196396.db2.gz LBCIQSAVDWUNRO-UHTWSYAYSA-N -1 3 384.444 0.247 20 0 GCADHM CC(C)(C(N)=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001573788519 949196411 /nfs/dbraw/zinc/19/64/11/949196411.db2.gz LBCIQSAVDWUNRO-UHTWSYAYSA-N -1 3 384.444 0.247 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573788524 949200781 /nfs/dbraw/zinc/20/07/81/949200781.db2.gz LGKDZPJSWOZKJH-UHFFFAOYSA-N -1 3 378.462 0.019 20 0 GCADHM CC(C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nnn[n-]3)c1)O2 ZINC001574102756 949202079 /nfs/dbraw/zinc/20/20/79/949202079.db2.gz AODHTCFQYCFSRJ-ZDUSSCGKSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001574102756 949202101 /nfs/dbraw/zinc/20/21/01/949202101.db2.gz AODHTCFQYCFSRJ-ZDUSSCGKSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575254469 949202397 /nfs/dbraw/zinc/20/23/97/949202397.db2.gz WDNAVYOZNDALDA-BXKDBHETSA-N -1 3 379.396 0.289 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)F)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575254469 949202379 /nfs/dbraw/zinc/20/23/79/949202379.db2.gz WDNAVYOZNDALDA-BXKDBHETSA-N -1 3 379.396 0.289 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574449463 949204102 /nfs/dbraw/zinc/20/41/02/949204102.db2.gz STVMEPYNHPZNCX-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574449463 949204122 /nfs/dbraw/zinc/20/41/22/949204122.db2.gz STVMEPYNHPZNCX-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575254619 949205847 /nfs/dbraw/zinc/20/58/47/949205847.db2.gz NDQAXUBIJBHHRX-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575254619 949205865 /nfs/dbraw/zinc/20/58/65/949205865.db2.gz NDQAXUBIJBHHRX-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM CC(C)c1ocnc1CNC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574450267 949206615 /nfs/dbraw/zinc/20/66/15/949206615.db2.gz XXNNAZYJPUPHQA-NSHDSACASA-N -1 3 388.432 0.529 20 0 GCADHM CC(C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001574102849 949207399 /nfs/dbraw/zinc/20/73/99/949207399.db2.gz DANKUQORGXUNKZ-ZDUSSCGKSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(=O)N1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001574102849 949207412 /nfs/dbraw/zinc/20/74/12/949207412.db2.gz DANKUQORGXUNKZ-ZDUSSCGKSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574449932 949208751 /nfs/dbraw/zinc/20/87/51/949208751.db2.gz WPPMYTFQRGGMKS-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574449932 949208771 /nfs/dbraw/zinc/20/87/71/949208771.db2.gz WPPMYTFQRGGMKS-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574451177 949216557 /nfs/dbraw/zinc/21/65/57/949216557.db2.gz GCAVPYVTCKQXJH-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574451177 949216583 /nfs/dbraw/zinc/21/65/83/949216583.db2.gz GCAVPYVTCKQXJH-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575255094 949222853 /nfs/dbraw/zinc/22/28/53/949222853.db2.gz YBFOPWJEVDJLPP-RTXFEEFZSA-N -1 3 386.460 0.872 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575255094 949222875 /nfs/dbraw/zinc/22/28/75/949222875.db2.gz YBFOPWJEVDJLPP-RTXFEEFZSA-N -1 3 386.460 0.872 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)cn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574938056 949237194 /nfs/dbraw/zinc/23/71/94/949237194.db2.gz RCZGWDJMDHBWLF-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)cn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574938056 949237216 /nfs/dbraw/zinc/23/72/16/949237216.db2.gz RCZGWDJMDHBWLF-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM CC(C)c1oncc1C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574451698 949239881 /nfs/dbraw/zinc/23/98/81/949239881.db2.gz UXLBNHNQYWPLAH-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574451698 949239904 /nfs/dbraw/zinc/23/99/04/949239904.db2.gz UXLBNHNQYWPLAH-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)Cc1c(F)cccc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574938445 949242332 /nfs/dbraw/zinc/24/23/32/949242332.db2.gz WEAFPGJUXRSUMP-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)Cc1c(F)cccc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574938445 949242351 /nfs/dbraw/zinc/24/23/51/949242351.db2.gz WEAFPGJUXRSUMP-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575256124 949243762 /nfs/dbraw/zinc/24/37/62/949243762.db2.gz STLLNDNXEHAMJS-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@@]1(C)CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575256124 949243786 /nfs/dbraw/zinc/24/37/86/949243786.db2.gz STLLNDNXEHAMJS-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1cc(C(=O)N(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574451929 949248620 /nfs/dbraw/zinc/24/86/20/949248620.db2.gz AYFAIEHJTMWEQH-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM CC(C)n1cc(C(=O)N(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574451929 949248643 /nfs/dbraw/zinc/24/86/43/949248643.db2.gz AYFAIEHJTMWEQH-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521532 949255088 /nfs/dbraw/zinc/25/50/88/949255088.db2.gz GHVXFYMKPNHOMS-MNOVXSKESA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521532 949255104 /nfs/dbraw/zinc/25/51/04/949255104.db2.gz GHVXFYMKPNHOMS-MNOVXSKESA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521268 949256390 /nfs/dbraw/zinc/25/63/90/949256390.db2.gz FHHPFYQEEFGOHO-NEPJUHHUSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521268 949256412 /nfs/dbraw/zinc/25/64/12/949256412.db2.gz FHHPFYQEEFGOHO-NEPJUHHUSA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001574452222 949259974 /nfs/dbraw/zinc/25/99/74/949259974.db2.gz GVEDTTRQHJJOFK-GFCCVEGCSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001574452222 949259996 /nfs/dbraw/zinc/25/99/96/949259996.db2.gz GVEDTTRQHJJOFK-GFCCVEGCSA-N -1 3 388.407 0.986 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575521550 949263845 /nfs/dbraw/zinc/26/38/45/949263845.db2.gz GMHAHMUFOBRKEG-RTXFEEFZSA-N -1 3 382.432 0.373 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575521550 949263864 /nfs/dbraw/zinc/26/38/64/949263864.db2.gz GMHAHMUFOBRKEG-RTXFEEFZSA-N -1 3 382.432 0.373 20 0 GCADHM CC(C)n1cc(C(=O)NC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)nn1 ZINC001574452871 949268406 /nfs/dbraw/zinc/26/84/06/949268406.db2.gz PCVCWPJBPNUOEB-UHFFFAOYSA-N -1 3 384.404 0.060 20 0 GCADHM CC(C)n1cc(C(=O)NC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)nn1 ZINC001574452871 949268431 /nfs/dbraw/zinc/26/84/31/949268431.db2.gz PCVCWPJBPNUOEB-UHFFFAOYSA-N -1 3 384.404 0.060 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574452894 949272812 /nfs/dbraw/zinc/27/28/12/949272812.db2.gz QKEMZTSMBMEWGS-JTQLQIEISA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574452894 949272832 /nfs/dbraw/zinc/27/28/32/949272832.db2.gz QKEMZTSMBMEWGS-JTQLQIEISA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574452938 949273604 /nfs/dbraw/zinc/27/36/04/949273604.db2.gz RTRNAYVCGVUMTO-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574452938 949273618 /nfs/dbraw/zinc/27/36/18/949273618.db2.gz RTRNAYVCGVUMTO-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575522521 949279661 /nfs/dbraw/zinc/27/96/61/949279661.db2.gz MGUUJJZDMRXNNY-JQWIXIFHSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575522521 949279682 /nfs/dbraw/zinc/27/96/82/949279682.db2.gz MGUUJJZDMRXNNY-JQWIXIFHSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522935 949280171 /nfs/dbraw/zinc/28/01/71/949280171.db2.gz NKSNMZCZZXEFLB-VXGBXAGGSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522935 949280192 /nfs/dbraw/zinc/28/01/92/949280192.db2.gz NKSNMZCZZXEFLB-VXGBXAGGSA-N -1 3 384.448 0.478 20 0 GCADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001574453141 949280966 /nfs/dbraw/zinc/28/09/66/949280966.db2.gz XCFDAKLRKIHRPG-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001574453141 949280987 /nfs/dbraw/zinc/28/09/87/949280987.db2.gz XCFDAKLRKIHRPG-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)(C)C(=O)N1CC(N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573793074 949283227 /nfs/dbraw/zinc/28/32/27/949283227.db2.gz KAOAPDORQWTXLA-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)(C)C(=O)N1CC(N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573793074 949283251 /nfs/dbraw/zinc/28/32/51/949283251.db2.gz KAOAPDORQWTXLA-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)CCCO1 ZINC001575860017 949285210 /nfs/dbraw/zinc/28/52/10/949285210.db2.gz AZDLCSWRASJHDU-BONVTDFDSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)CCCO1 ZINC001575860017 949285229 /nfs/dbraw/zinc/28/52/29/949285229.db2.gz AZDLCSWRASJHDU-BONVTDFDSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575258056 949288830 /nfs/dbraw/zinc/28/88/30/949288830.db2.gz DLYHBUQQKBHXNP-WDEREUQCSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575258056 949288845 /nfs/dbraw/zinc/28/88/45/949288845.db2.gz DLYHBUQQKBHXNP-WDEREUQCSA-N -1 3 387.400 0.050 20 0 GCADHM CC1=C(C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860012 949289118 /nfs/dbraw/zinc/28/91/18/949289118.db2.gz AOYGTIKPPUCMAU-AULYBMBSSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860012 949289138 /nfs/dbraw/zinc/28/91/38/949289138.db2.gz AOYGTIKPPUCMAU-AULYBMBSSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001575523347 949289687 /nfs/dbraw/zinc/28/96/87/949289687.db2.gz PLAVJWQZAXKZHR-MFKMUULPSA-N -1 3 384.448 0.525 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001575523347 949289723 /nfs/dbraw/zinc/28/97/23/949289723.db2.gz PLAVJWQZAXKZHR-MFKMUULPSA-N -1 3 384.448 0.525 20 0 GCADHM C[C@H](c1csnn1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575523461 949290991 /nfs/dbraw/zinc/29/09/91/949290991.db2.gz QEIRKFGNWPNZRD-MWLCHTKSSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@H](c1csnn1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575523461 949291007 /nfs/dbraw/zinc/29/10/07/949291007.db2.gz QEIRKFGNWPNZRD-MWLCHTKSSA-N -1 3 389.445 0.238 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1 ZINC001575860258 949292539 /nfs/dbraw/zinc/29/25/39/949292539.db2.gz FLDLOCUELMZGJH-CYBMUJFWSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1 ZINC001575860258 949292560 /nfs/dbraw/zinc/29/25/60/949292560.db2.gz FLDLOCUELMZGJH-CYBMUJFWSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001575860439 949297420 /nfs/dbraw/zinc/29/74/20/949297420.db2.gz IIECVJJAVCGBCZ-JYAVWHMHSA-N -1 3 383.412 0.466 20 0 GCADHM CC1=C(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001575860439 949297437 /nfs/dbraw/zinc/29/74/37/949297437.db2.gz IIECVJJAVCGBCZ-JYAVWHMHSA-N -1 3 383.412 0.466 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001574455347 949298780 /nfs/dbraw/zinc/29/87/80/949298780.db2.gz NYZPQOBFJSROIS-CQSZACIVSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001574455347 949298791 /nfs/dbraw/zinc/29/87/91/949298791.db2.gz NYZPQOBFJSROIS-CQSZACIVSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)c1nnnn1C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575523841 949300434 /nfs/dbraw/zinc/30/04/34/949300434.db2.gz FDQYDAMDCJMHTM-NSHDSACASA-N -1 3 387.452 0.262 20 0 GCADHM 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CC(C)n1cc(CN2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001574455346 949302080 /nfs/dbraw/zinc/30/20/80/949302080.db2.gz NYZPQOBFJSROIS-AWEZNQCLSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001574455346 949302102 /nfs/dbraw/zinc/30/21/02/949302102.db2.gz NYZPQOBFJSROIS-AWEZNQCLSA-N -1 3 384.448 0.714 20 0 GCADHM CC1=C(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1 ZINC001575860595 949302316 /nfs/dbraw/zinc/30/23/16/949302316.db2.gz JSJAERLMKNMZGB-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1 ZINC001575860595 949302335 /nfs/dbraw/zinc/30/23/35/949302335.db2.gz JSJAERLMKNMZGB-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM C[C@@]1(C(=O)N(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575523600 949304042 /nfs/dbraw/zinc/30/40/42/949304042.db2.gz CVQKNTYGPLUCPH-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCOC1 ZINC001575523600 949304060 /nfs/dbraw/zinc/30/40/60/949304060.db2.gz CVQKNTYGPLUCPH-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575524012 949307843 /nfs/dbraw/zinc/30/78/43/949307843.db2.gz RSXWDKCVLSTQCZ-ONGXEEELSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575524012 949307866 /nfs/dbraw/zinc/30/78/66/949307866.db2.gz RSXWDKCVLSTQCZ-ONGXEEELSA-N -1 3 391.461 0.172 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001575860671 949310250 /nfs/dbraw/zinc/31/02/50/949310250.db2.gz KWWMBVBKJSPITK-GFCCVEGCSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001575860671 949310273 /nfs/dbraw/zinc/31/02/73/949310273.db2.gz KWWMBVBKJSPITK-GFCCVEGCSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860639 949311302 /nfs/dbraw/zinc/31/13/02/949311302.db2.gz KNUKTHAMBYTGQA-ZWNOBZJWSA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860639 949311317 /nfs/dbraw/zinc/31/13/17/949311317.db2.gz KNUKTHAMBYTGQA-ZWNOBZJWSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576153956 949311723 /nfs/dbraw/zinc/31/17/23/949311723.db2.gz NMIRVSLEZKZSHV-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576153956 949311747 /nfs/dbraw/zinc/31/17/47/949311747.db2.gz NMIRVSLEZKZSHV-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153994 949313861 /nfs/dbraw/zinc/31/38/61/949313861.db2.gz OEBHGBICSNGPMQ-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM 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ZINC001575259131 949317535 /nfs/dbraw/zinc/31/75/35/949317535.db2.gz MFQVDNHMOUUURS-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001575259131 949317558 /nfs/dbraw/zinc/31/75/58/949317558.db2.gz MFQVDNHMOUUURS-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575524493 949319602 /nfs/dbraw/zinc/31/96/02/949319602.db2.gz TWTHKKBGEMJTHT-TYNCELHUSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575524493 949319620 /nfs/dbraw/zinc/31/96/20/949319620.db2.gz TWTHKKBGEMJTHT-TYNCELHUSA-N -1 3 379.428 0.892 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)CCCO1 ZINC001575861229 949320532 /nfs/dbraw/zinc/32/05/32/949320532.db2.gz QLPDSKGSBCAATR-ZUZCIYMTSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)CCCO1 ZINC001575861229 949320543 /nfs/dbraw/zinc/32/05/43/949320543.db2.gz QLPDSKGSBCAATR-ZUZCIYMTSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001575861195 949321730 /nfs/dbraw/zinc/32/17/30/949321730.db2.gz PFEPXSCGZBDSCY-RYUDHWBXSA-N -1 3 383.412 0.705 20 0 GCADHM CC1=C(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001575861195 949321753 /nfs/dbraw/zinc/32/17/53/949321753.db2.gz PFEPXSCGZBDSCY-RYUDHWBXSA-N -1 3 383.412 0.705 20 0 GCADHM C[C@H](c1nc(N)nc(Cl)n1)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001575524490 949322074 /nfs/dbraw/zinc/32/20/74/949322074.db2.gz TVMKWOOBVHLXLU-SECBINFHSA-N -1 3 387.839 0.566 20 0 GCADHM C[C@H](c1nc(N)nc(Cl)n1)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001575524490 949322097 /nfs/dbraw/zinc/32/20/97/949322097.db2.gz TVMKWOOBVHLXLU-SECBINFHSA-N -1 3 387.839 0.566 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)C1 ZINC001573795289 949322455 /nfs/dbraw/zinc/32/24/55/949322455.db2.gz LLNFTUFIIYVTFU-JTQLQIEISA-N -1 3 388.432 0.679 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574703300 949325441 /nfs/dbraw/zinc/32/54/41/949325441.db2.gz ULXRTGHQZSXDME-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574703300 949325459 /nfs/dbraw/zinc/32/54/59/949325459.db2.gz ULXRTGHQZSXDME-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)N1CCN([C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001574109707 949327673 /nfs/dbraw/zinc/32/76/73/949327673.db2.gz ANIOTPJPROHZHI-AWEZNQCLSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574457687 949330505 /nfs/dbraw/zinc/33/05/05/949330505.db2.gz MXMPZWHQBKVLMJ-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574457687 949330524 /nfs/dbraw/zinc/33/05/24/949330524.db2.gz MXMPZWHQBKVLMJ-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001575861645 949331722 /nfs/dbraw/zinc/33/17/22/949331722.db2.gz UQQBHVAGCGVLRH-CYBMUJFWSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001575861645 949331743 /nfs/dbraw/zinc/33/17/43/949331743.db2.gz UQQBHVAGCGVLRH-CYBMUJFWSA-N -1 3 385.428 0.952 20 0 GCADHM C[C@H](c1ncccn1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524997 949332619 /nfs/dbraw/zinc/33/26/19/949332619.db2.gz VGDQYKNSSICTBE-DGCLKSJQSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@H](c1ncccn1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524997 949332641 /nfs/dbraw/zinc/33/26/41/949332641.db2.gz VGDQYKNSSICTBE-DGCLKSJQSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575525005 949332725 /nfs/dbraw/zinc/33/27/25/949332725.db2.gz VGPQAZBRMXZQMF-TYNCELHUSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575525005 949332748 /nfs/dbraw/zinc/33/27/48/949332748.db2.gz VGPQAZBRMXZQMF-TYNCELHUSA-N -1 3 379.428 0.892 20 0 GCADHM CC1=C(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575861837 949333645 /nfs/dbraw/zinc/33/36/45/949333645.db2.gz VVLZTXMWKWGPGG-MEBBXXQBSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575861837 949333667 /nfs/dbraw/zinc/33/36/67/949333667.db2.gz VVLZTXMWKWGPGG-MEBBXXQBSA-N -1 3 385.428 0.856 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574458253 949337988 /nfs/dbraw/zinc/33/79/88/949337988.db2.gz ROMIQZNBNFVOKR-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574458253 949338017 /nfs/dbraw/zinc/33/80/17/949338017.db2.gz ROMIQZNBNFVOKR-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574458200 949338409 /nfs/dbraw/zinc/33/84/09/949338409.db2.gz QMCUIGPKWWYCCE-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574458200 949338433 /nfs/dbraw/zinc/33/84/33/949338433.db2.gz QMCUIGPKWWYCCE-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575525377 949340149 /nfs/dbraw/zinc/34/01/49/949340149.db2.gz MYHNZFKOSSXGLX-JTQLQIEISA-N -1 3 383.420 0.035 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575525377 949340167 /nfs/dbraw/zinc/34/01/67/949340167.db2.gz MYHNZFKOSSXGLX-JTQLQIEISA-N -1 3 383.420 0.035 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573796951 949344342 /nfs/dbraw/zinc/34/43/42/949344342.db2.gz YBQQEMRIFCLRPN-LLVKDONJSA-N -1 3 378.458 0.818 20 0 GCADHM C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260060 949344613 /nfs/dbraw/zinc/34/46/13/949344613.db2.gz UAGRXEWAAIGOBO-DGCLKSJQSA-N -1 3 385.428 0.508 20 0 GCADHM C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260060 949344637 /nfs/dbraw/zinc/34/46/37/949344637.db2.gz UAGRXEWAAIGOBO-DGCLKSJQSA-N -1 3 385.428 0.508 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574703737 949345888 /nfs/dbraw/zinc/34/58/88/949345888.db2.gz XKBHCPNJJJNZLH-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574703737 949345904 /nfs/dbraw/zinc/34/59/04/949345904.db2.gz XKBHCPNJJJNZLH-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](c1csnn1)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575525620 949347881 /nfs/dbraw/zinc/34/78/81/949347881.db2.gz YQUMSNDCOIQDRC-JTQLQIEISA-N -1 3 385.457 0.955 20 0 GCADHM C[C@@H](c1csnn1)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575525620 949347904 /nfs/dbraw/zinc/34/79/04/949347904.db2.gz YQUMSNDCOIQDRC-JTQLQIEISA-N -1 3 385.457 0.955 20 0 GCADHM C[C@@H](c1csnn1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575525538 949348118 /nfs/dbraw/zinc/34/81/18/949348118.db2.gz XICRNFLDOFTYQS-JTQLQIEISA-N -1 3 385.457 0.955 20 0 GCADHM C[C@@H](c1csnn1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575525538 949348139 /nfs/dbraw/zinc/34/81/39/949348139.db2.gz XICRNFLDOFTYQS-JTQLQIEISA-N -1 3 385.457 0.955 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575525579 949349233 /nfs/dbraw/zinc/34/92/33/949349233.db2.gz YLVBWOHEEFAYRJ-NSHDSACASA-N -1 3 382.432 0.232 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575525579 949349255 /nfs/dbraw/zinc/34/92/55/949349255.db2.gz YLVBWOHEEFAYRJ-NSHDSACASA-N -1 3 382.432 0.232 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574110151 949352048 /nfs/dbraw/zinc/35/20/48/949352048.db2.gz SFONTKKMMRNNRB-BXUZGUMPSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574110151 949352062 /nfs/dbraw/zinc/35/20/62/949352062.db2.gz SFONTKKMMRNNRB-BXUZGUMPSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC(C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575525849 949352248 /nfs/dbraw/zinc/35/22/48/949352248.db2.gz RLUMWHAFGZMYEI-SNVBAGLBSA-N -1 3 385.436 0.064 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC(C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575525849 949352268 /nfs/dbraw/zinc/35/22/68/949352268.db2.gz RLUMWHAFGZMYEI-SNVBAGLBSA-N -1 3 385.436 0.064 20 0 GCADHM CC(C)n1ccc(CC(=O)NCCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574459340 949352586 /nfs/dbraw/zinc/35/25/86/949352586.db2.gz BCIZJXCWIWLUQQ-UHFFFAOYSA-N -1 3 385.432 0.451 20 0 GCADHM CC(C)n1ccc(CC(=O)NCCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574459340 949352611 /nfs/dbraw/zinc/35/26/11/949352611.db2.gz BCIZJXCWIWLUQQ-UHFFFAOYSA-N -1 3 385.432 0.451 20 0 GCADHM C[C@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575525685 949354093 /nfs/dbraw/zinc/35/40/93/949354093.db2.gz ZHAKCLRDTKWCSK-TYNCELHUSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575525685 949354115 /nfs/dbraw/zinc/35/41/15/949354115.db2.gz ZHAKCLRDTKWCSK-TYNCELHUSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575525749 949354718 /nfs/dbraw/zinc/35/47/18/949354718.db2.gz QIXZOYATFFSLFH-JTQLQIEISA-N -1 3 383.420 0.035 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575525749 949354739 /nfs/dbraw/zinc/35/47/39/949354739.db2.gz QIXZOYATFFSLFH-JTQLQIEISA-N -1 3 383.420 0.035 20 0 GCADHM C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260435 949355336 /nfs/dbraw/zinc/35/53/36/949355336.db2.gz VYJAYIUFMFRGPR-NEPJUHHUSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@@H](NC(=O)C1=COCCC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260435 949355359 /nfs/dbraw/zinc/35/53/59/949355359.db2.gz VYJAYIUFMFRGPR-NEPJUHHUSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575525941 949357869 /nfs/dbraw/zinc/35/78/69/949357869.db2.gz ZQEULASKVCBPLD-UHIISALHSA-N -1 3 382.432 0.231 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575525941 949357889 /nfs/dbraw/zinc/35/78/89/949357889.db2.gz ZQEULASKVCBPLD-UHIISALHSA-N -1 3 382.432 0.231 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573798802 949359763 /nfs/dbraw/zinc/35/97/63/949359763.db2.gz HAKLMVBRIKSJSV-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573798802 949359783 /nfs/dbraw/zinc/35/97/83/949359783.db2.gz HAKLMVBRIKSJSV-ZDUSSCGKSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CNC(=O)Cc1ccn(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574942723 949363588 /nfs/dbraw/zinc/36/35/88/949363588.db2.gz RTGUJPNJKFMTEM-SNVBAGLBSA-N -1 3 389.851 0.832 20 0 GCADHM C[C@H](CNC(=O)Cc1ccn(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574942723 949363609 /nfs/dbraw/zinc/36/36/09/949363609.db2.gz RTGUJPNJKFMTEM-SNVBAGLBSA-N -1 3 389.851 0.832 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573799060 949363574 /nfs/dbraw/zinc/36/35/74/949363574.db2.gz JMAQLYYUINRDSX-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573799060 949363590 /nfs/dbraw/zinc/36/35/90/949363590.db2.gz JMAQLYYUINRDSX-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)n1ccc(CC(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574459851 949369400 /nfs/dbraw/zinc/36/94/00/949369400.db2.gz MLRHXKRQGZRYJE-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)n1ccc(CC(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574459851 949369424 /nfs/dbraw/zinc/36/94/24/949369424.db2.gz MLRHXKRQGZRYJE-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)n1 ZINC001574460358 949370256 /nfs/dbraw/zinc/37/02/56/949370256.db2.gz TZCMRRBMEGMWJX-ZDUSSCGKSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)n1 ZINC001574460358 949370281 /nfs/dbraw/zinc/37/02/81/949370281.db2.gz TZCMRRBMEGMWJX-ZDUSSCGKSA-N -1 3 385.432 0.171 20 0 GCADHM CC1(C(=O)N2CC3(C2)CN(C(=O)c2cc(-c4nnn[n-]4)c[nH]2)CCO3)CCC1 ZINC001575527350 949372148 /nfs/dbraw/zinc/37/21/48/949372148.db2.gz AMEKYOAFGYWMIB-UHFFFAOYSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CC3(C2)CN(C(=O)c2cc(-c4nn[n-]n4)c[nH]2)CCO3)CCC1 ZINC001575527350 949372169 /nfs/dbraw/zinc/37/21/69/949372169.db2.gz AMEKYOAFGYWMIB-UHFFFAOYSA-N -1 3 385.428 0.438 20 0 GCADHM CC(C)CC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574111143 949372673 /nfs/dbraw/zinc/37/26/73/949372673.db2.gz FBWHLEGPLTXZID-SMDDNHRTSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574111143 949372696 /nfs/dbraw/zinc/37/26/96/949372696.db2.gz FBWHLEGPLTXZID-SMDDNHRTSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001574460136 949373575 /nfs/dbraw/zinc/37/35/75/949373575.db2.gz PWWRZIYWWLCODL-AWEZNQCLSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001574460136 949373588 /nfs/dbraw/zinc/37/35/88/949373588.db2.gz PWWRZIYWWLCODL-AWEZNQCLSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001574460137 949374856 /nfs/dbraw/zinc/37/48/56/949374856.db2.gz PWWRZIYWWLCODL-CQSZACIVSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001574460137 949374877 /nfs/dbraw/zinc/37/48/77/949374877.db2.gz PWWRZIYWWLCODL-CQSZACIVSA-N -1 3 385.432 0.171 20 0 GCADHM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574943370 949376219 /nfs/dbraw/zinc/37/62/19/949376219.db2.gz WSXAVCRKWMGIEW-NSHDSACASA-N -1 3 382.432 0.349 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575262768 949376867 /nfs/dbraw/zinc/37/68/67/949376867.db2.gz CAWZZCRIYVUSSZ-QWRGUYRKSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575262768 949376891 /nfs/dbraw/zinc/37/68/91/949376891.db2.gz CAWZZCRIYVUSSZ-QWRGUYRKSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574704233 949377151 /nfs/dbraw/zinc/37/71/51/949377151.db2.gz BFIYUGPECGMWQI-MFKMUULPSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574704233 949377173 /nfs/dbraw/zinc/37/71/73/949377173.db2.gz BFIYUGPECGMWQI-MFKMUULPSA-N -1 3 390.423 0.671 20 0 GCADHM CC(C)CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574111410 949377670 /nfs/dbraw/zinc/37/76/70/949377670.db2.gz HEHHWQNXTIXQRY-FZMZJTMJSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574111410 949377691 /nfs/dbraw/zinc/37/76/91/949377691.db2.gz HEHHWQNXTIXQRY-FZMZJTMJSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576155039 949378751 /nfs/dbraw/zinc/37/87/51/949378751.db2.gz SKEKEJAVONRVBD-VXGBXAGGSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576155039 949378773 /nfs/dbraw/zinc/37/87/73/949378773.db2.gz SKEKEJAVONRVBD-VXGBXAGGSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575865620 949379339 /nfs/dbraw/zinc/37/93/39/949379339.db2.gz AYEORBZTMSCWIW-PSASIEDQSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575865620 949379362 /nfs/dbraw/zinc/37/93/62/949379362.db2.gz AYEORBZTMSCWIW-PSASIEDQSA-N -1 3 379.371 0.959 20 0 GCADHM CC1(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCCC1 ZINC001575527753 949379646 /nfs/dbraw/zinc/37/96/46/949379646.db2.gz GZSMORSEJGYGIE-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCCC1 ZINC001575527753 949379666 /nfs/dbraw/zinc/37/96/66/949379666.db2.gz GZSMORSEJGYGIE-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575527939 949384677 /nfs/dbraw/zinc/38/46/77/949384677.db2.gz JYILTQQXLBKCRJ-ACJLOTCBSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)[C@@]2(C)CCOC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575527939 949384695 /nfs/dbraw/zinc/38/46/95/949384695.db2.gz JYILTQQXLBKCRJ-ACJLOTCBSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1ccc(CC(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574460712 949384791 /nfs/dbraw/zinc/38/47/91/949384791.db2.gz YLBBELKMBXPVOI-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM CC(C)n1ccc(CC(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574460712 949384811 /nfs/dbraw/zinc/38/48/11/949384811.db2.gz YLBBELKMBXPVOI-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574463858 949385732 /nfs/dbraw/zinc/38/57/32/949385732.db2.gz DHMIPVHGKQEWBF-LLVKDONJSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574463858 949385753 /nfs/dbraw/zinc/38/57/53/949385753.db2.gz DHMIPVHGKQEWBF-LLVKDONJSA-N -1 3 386.416 0.098 20 0 GCADHM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574944514 949391790 /nfs/dbraw/zinc/39/17/90/949391790.db2.gz DFEDIFKGBXSYCG-SNVBAGLBSA-N -1 3 382.432 0.427 20 0 GCADHM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574944514 949391812 /nfs/dbraw/zinc/39/18/12/949391812.db2.gz DFEDIFKGBXSYCG-SNVBAGLBSA-N -1 3 382.432 0.427 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574944513 949392530 /nfs/dbraw/zinc/39/25/30/949392530.db2.gz DFEDIFKGBXSYCG-JTQLQIEISA-N -1 3 382.432 0.427 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574944513 949392553 /nfs/dbraw/zinc/39/25/53/949392553.db2.gz DFEDIFKGBXSYCG-JTQLQIEISA-N -1 3 382.432 0.427 20 0 GCADHM C[C@H](CNC(=O)Cc1nc[nH]n1)CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574944590 949395732 /nfs/dbraw/zinc/39/57/32/949395732.db2.gz GBJGCBJJSFLETF-ZCFIWIBFSA-N -1 3 382.841 0.502 20 0 GCADHM C[C@H](CNC(=O)Cc1nc[nH]n1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574944590 949395751 /nfs/dbraw/zinc/39/57/51/949395751.db2.gz GBJGCBJJSFLETF-ZCFIWIBFSA-N -1 3 382.841 0.502 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573800307 949396442 /nfs/dbraw/zinc/39/64/42/949396442.db2.gz XFKIBLXORXVGFQ-NSHDSACASA-N -1 3 390.423 0.576 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573800307 949396466 /nfs/dbraw/zinc/39/64/66/949396466.db2.gz XFKIBLXORXVGFQ-NSHDSACASA-N -1 3 390.423 0.576 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001574464107 949398395 /nfs/dbraw/zinc/39/83/95/949398395.db2.gz FDKVNCFPZOQZEN-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001574464107 949398418 /nfs/dbraw/zinc/39/84/18/949398418.db2.gz FDKVNCFPZOQZEN-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC1(C(=O)N2CC(CCO)(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCC1 ZINC001575528322 949398623 /nfs/dbraw/zinc/39/86/23/949398623.db2.gz SEEXTJSOJWAYIN-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC(CCO)(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCC1 ZINC001575528322 949398643 /nfs/dbraw/zinc/39/86/43/949398643.db2.gz SEEXTJSOJWAYIN-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575866141 949400489 /nfs/dbraw/zinc/40/04/89/949400489.db2.gz DPLASTIYBAVFMD-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575866141 949400507 /nfs/dbraw/zinc/40/05/07/949400507.db2.gz DPLASTIYBAVFMD-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575866142 949400543 /nfs/dbraw/zinc/40/05/43/949400543.db2.gz DPLASTIYBAVFMD-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575866142 949400557 /nfs/dbraw/zinc/40/05/57/949400557.db2.gz DPLASTIYBAVFMD-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001574464193 949401820 /nfs/dbraw/zinc/40/18/20/949401820.db2.gz IQYHYTNZYUIFIQ-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001574464193 949401838 /nfs/dbraw/zinc/40/18/38/949401838.db2.gz IQYHYTNZYUIFIQ-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575532886 949407821 /nfs/dbraw/zinc/40/78/21/949407821.db2.gz CDVUCOBBOFSHQC-XIKOKIGWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575532886 949407834 /nfs/dbraw/zinc/40/78/34/949407834.db2.gz CDVUCOBBOFSHQC-XIKOKIGWSA-N -1 3 384.444 0.438 20 0 GCADHM CC1(C(=O)N2CC[C@H](N3CCN(c4cncc(-c5nn[n-]n5)n4)CC3)C2)CC1 ZINC001575532823 949408229 /nfs/dbraw/zinc/40/82/29/949408229.db2.gz ADKGEKGUESBTOG-ZDUSSCGKSA-N -1 3 383.460 0.180 20 0 GCADHM CC(C)CC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574114552 949410009 /nfs/dbraw/zinc/41/00/09/949410009.db2.gz VGUCUQFSSZCFMD-SMDDNHRTSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574114552 949410026 /nfs/dbraw/zinc/41/00/26/949410026.db2.gz VGUCUQFSSZCFMD-SMDDNHRTSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575263821 949410567 /nfs/dbraw/zinc/41/05/67/949410567.db2.gz JXULBDMYJUXECX-LKFCYVNXSA-N -1 3 389.391 0.051 20 0 GCADHM CC(C)n1cnc(C(=O)NCC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001574464393 949411586 /nfs/dbraw/zinc/41/15/86/949411586.db2.gz NQDJRUZZBSNGRZ-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1cnc(C(=O)NCC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001574464393 949411600 /nfs/dbraw/zinc/41/16/00/949411600.db2.gz NQDJRUZZBSNGRZ-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574114549 949412035 /nfs/dbraw/zinc/41/20/35/949412035.db2.gz VGUCUQFSSZCFMD-FZMZJTMJSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574114549 949412055 /nfs/dbraw/zinc/41/20/55/949412055.db2.gz VGUCUQFSSZCFMD-FZMZJTMJSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575263867 949412427 /nfs/dbraw/zinc/41/24/27/949412427.db2.gz KNNXRVSBSNBPRK-NEPJUHHUSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575263867 949412440 /nfs/dbraw/zinc/41/24/40/949412440.db2.gz KNNXRVSBSNBPRK-NEPJUHHUSA-N -1 3 389.460 0.713 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CC=CC1 ZINC001575533566 949415008 /nfs/dbraw/zinc/41/50/08/949415008.db2.gz HOGSACWQXRFZTN-OCCSQVGLSA-N -1 3 385.428 0.243 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC=CC1 ZINC001575533566 949415022 /nfs/dbraw/zinc/41/50/22/949415022.db2.gz HOGSACWQXRFZTN-OCCSQVGLSA-N -1 3 385.428 0.243 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576155914 949424213 /nfs/dbraw/zinc/42/42/13/949424213.db2.gz KJTRWXCNDNYFTQ-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@H]1CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576155914 949424231 /nfs/dbraw/zinc/42/42/31/949424231.db2.gz KJTRWXCNDNYFTQ-STQMWFEESA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574465034 949424851 /nfs/dbraw/zinc/42/48/51/949424851.db2.gz UBSWHCOUWYNRDC-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574465034 949424868 /nfs/dbraw/zinc/42/48/68/949424868.db2.gz UBSWHCOUWYNRDC-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](CNC(=O)Cc1ncccc1F)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574945977 949425659 /nfs/dbraw/zinc/42/56/59/949425659.db2.gz QUMPSTYUVCKIAU-JTQLQIEISA-N -1 3 386.391 0.454 20 0 GCADHM C[C@@H](CNC(=O)Cc1ncccc1F)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574945977 949425666 /nfs/dbraw/zinc/42/56/66/949425666.db2.gz QUMPSTYUVCKIAU-JTQLQIEISA-N -1 3 386.391 0.454 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576155939 949426053 /nfs/dbraw/zinc/42/60/53/949426053.db2.gz WEYYVANENJTTAU-JSGCOSHPSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576155939 949426063 /nfs/dbraw/zinc/42/60/63/949426063.db2.gz WEYYVANENJTTAU-JSGCOSHPSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574946022 949427260 /nfs/dbraw/zinc/42/72/60/949427260.db2.gz RVOZDRZIOSJHSY-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574946022 949427273 /nfs/dbraw/zinc/42/72/73/949427273.db2.gz RVOZDRZIOSJHSY-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@H](CN(C)C(=O)C1CCC(O)CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574705561 949428650 /nfs/dbraw/zinc/42/86/50/949428650.db2.gz IOPNINKFZWAWOZ-XSRFYTQQSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)C1CCC(O)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574705561 949428664 /nfs/dbraw/zinc/42/86/64/949428664.db2.gz IOPNINKFZWAWOZ-XSRFYTQQSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NC/C=C\CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573802880 949429928 /nfs/dbraw/zinc/42/99/28/949429928.db2.gz KKIYEXIPFVZHEN-PLNGDYQASA-N -1 3 386.460 0.898 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NC/C=C\CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573802880 949429938 /nfs/dbraw/zinc/42/99/38/949429938.db2.gz KKIYEXIPFVZHEN-PLNGDYQASA-N -1 3 386.460 0.898 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576156188 949430066 /nfs/dbraw/zinc/43/00/66/949430066.db2.gz XOKISICIGBQLDB-TZMCWYRMSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576156188 949430081 /nfs/dbraw/zinc/43/00/81/949430081.db2.gz XOKISICIGBQLDB-TZMCWYRMSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575264587 949430073 /nfs/dbraw/zinc/43/00/73/949430073.db2.gz PBZPOYSWJJUENU-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575264587 949430087 /nfs/dbraw/zinc/43/00/87/949430087.db2.gz PBZPOYSWJJUENU-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)C1CCC(O)CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574705562 949431871 /nfs/dbraw/zinc/43/18/71/949431871.db2.gz IOPNINKFZWAWOZ-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)C1CCC(O)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574705562 949431879 /nfs/dbraw/zinc/43/18/79/949431879.db2.gz IOPNINKFZWAWOZ-ZBOXLXRLSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574465406 949434172 /nfs/dbraw/zinc/43/41/72/949434172.db2.gz XPZRTNDLGDEQFO-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574465406 949434183 /nfs/dbraw/zinc/43/41/83/949434183.db2.gz XPZRTNDLGDEQFO-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](CNC(=O)Cc1cncn1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574946714 949438437 /nfs/dbraw/zinc/43/84/37/949438437.db2.gz XPHNZDFHWSSZGR-VIFPVBQESA-N -1 3 375.824 0.808 20 0 GCADHM C[C@@H](CNC(=O)Cc1cncn1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574946714 949438451 /nfs/dbraw/zinc/43/84/51/949438451.db2.gz XPHNZDFHWSSZGR-VIFPVBQESA-N -1 3 375.824 0.808 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001574465443 949439539 /nfs/dbraw/zinc/43/95/39/949439539.db2.gz YIYBPRTXSXYJES-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001574465443 949439556 /nfs/dbraw/zinc/43/95/56/949439556.db2.gz YIYBPRTXSXYJES-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001575265118 949441307 /nfs/dbraw/zinc/44/13/07/949441307.db2.gz SKAAFEJAVCBJSU-LBPRGKRZSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001575265118 949441318 /nfs/dbraw/zinc/44/13/18/949441318.db2.gz SKAAFEJAVCBJSU-LBPRGKRZSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001574465674 949442870 /nfs/dbraw/zinc/44/28/70/949442870.db2.gz VEGCIWMXPOWKGQ-UKRRQHHQSA-N -1 3 382.428 0.624 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001574465674 949442880 /nfs/dbraw/zinc/44/28/80/949442880.db2.gz VEGCIWMXPOWKGQ-UKRRQHHQSA-N -1 3 382.428 0.624 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001574465727 949445175 /nfs/dbraw/zinc/44/51/75/949445175.db2.gz XPGFJVOMDMRTKK-UKRRQHHQSA-N -1 3 398.427 0.193 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001574465727 949445192 /nfs/dbraw/zinc/44/51/92/949445192.db2.gz XPGFJVOMDMRTKK-UKRRQHHQSA-N -1 3 398.427 0.193 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574947583 949447518 /nfs/dbraw/zinc/44/75/18/949447518.db2.gz CXSCWTXLNKXUGJ-LLVKDONJSA-N -1 3 382.432 0.595 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574947583 949447533 /nfs/dbraw/zinc/44/75/33/949447533.db2.gz CXSCWTXLNKXUGJ-LLVKDONJSA-N -1 3 382.432 0.595 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)O1 ZINC001573803695 949447559 /nfs/dbraw/zinc/44/75/59/949447559.db2.gz QOSYSUJHGLDFGL-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)O1 ZINC001573803695 949447571 /nfs/dbraw/zinc/44/75/71/949447571.db2.gz QOSYSUJHGLDFGL-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)O1 ZINC001573803696 949447677 /nfs/dbraw/zinc/44/76/77/949447677.db2.gz QOSYSUJHGLDFGL-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)O1 ZINC001573803696 949447689 /nfs/dbraw/zinc/44/76/89/949447689.db2.gz QOSYSUJHGLDFGL-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)Cn1ccccc1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574947577 949449437 /nfs/dbraw/zinc/44/94/37/949449437.db2.gz CVJXBCLDMWJRJL-GFCCVEGCSA-N -1 3 385.403 0.809 20 0 GCADHM C[C@H](CNC(=O)Cn1ccccc1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574947577 949449464 /nfs/dbraw/zinc/44/94/64/949449464.db2.gz CVJXBCLDMWJRJL-GFCCVEGCSA-N -1 3 385.403 0.809 20 0 GCADHM C[C@]1(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)cn3)CC2)CCC(=O)NC1 ZINC001575535779 949452612 /nfs/dbraw/zinc/45/26/12/949452612.db2.gz BCDQDBNCGNSCDH-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)cn3)CC2)CCC(=O)NC1 ZINC001575535779 949452619 /nfs/dbraw/zinc/45/26/19/949452619.db2.gz BCDQDBNCGNSCDH-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575265600 949452819 /nfs/dbraw/zinc/45/28/19/949452819.db2.gz VMEOJPZOGFJDNF-OTYXRUKQSA-N -1 3 389.391 0.051 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573803705 949453465 /nfs/dbraw/zinc/45/34/65/949453465.db2.gz RBNANKRTDJVFKI-AULYBMBSSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573803705 949453494 /nfs/dbraw/zinc/45/34/94/949453494.db2.gz RBNANKRTDJVFKI-AULYBMBSSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574468108 949457807 /nfs/dbraw/zinc/45/78/07/949457807.db2.gz JSVZCNGBVIISOX-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574468108 949457821 /nfs/dbraw/zinc/45/78/21/949457821.db2.gz JSVZCNGBVIISOX-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574468136 949458322 /nfs/dbraw/zinc/45/83/22/949458322.db2.gz LIROQHNKPMVOKU-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574468136 949458339 /nfs/dbraw/zinc/45/83/39/949458339.db2.gz LIROQHNKPMVOKU-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575536248 949464222 /nfs/dbraw/zinc/46/42/22/949464222.db2.gz GIYVYYMRSMGRMJ-ADLMAVQZSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575536248 949464237 /nfs/dbraw/zinc/46/42/37/949464237.db2.gz GIYVYYMRSMGRMJ-ADLMAVQZSA-N -1 3 387.419 0.935 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574707224 949465295 /nfs/dbraw/zinc/46/52/95/949465295.db2.gz ODKMKXQLRFHOHO-DGCLKSJQSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574707224 949465307 /nfs/dbraw/zinc/46/53/07/949465307.db2.gz ODKMKXQLRFHOHO-DGCLKSJQSA-N -1 3 387.448 0.311 20 0 GCADHM CC(C)(C)C(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573804192 949467132 /nfs/dbraw/zinc/46/71/32/949467132.db2.gz SZKMYDQZSBOTFI-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573804192 949467149 /nfs/dbraw/zinc/46/71/49/949467149.db2.gz SZKMYDQZSBOTFI-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573804501 949470587 /nfs/dbraw/zinc/47/05/87/949470587.db2.gz WNYOEJSDSQQQEK-CYBMUJFWSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573804501 949470611 /nfs/dbraw/zinc/47/06/11/949470611.db2.gz WNYOEJSDSQQQEK-CYBMUJFWSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575266281 949472049 /nfs/dbraw/zinc/47/20/49/949472049.db2.gz CJIZQBDNHQPCRO-VXGBXAGGSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575266281 949472064 /nfs/dbraw/zinc/47/20/64/949472064.db2.gz CJIZQBDNHQPCRO-VXGBXAGGSA-N -1 3 387.444 0.467 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCCN1c1ncccc1-c1nnn[n-]1 ZINC001573804595 949473301 /nfs/dbraw/zinc/47/33/01/949473301.db2.gz XKWOEDKSWMARIC-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCCN1c1ncccc1-c1nn[n-]n1 ZINC001573804595 949473315 /nfs/dbraw/zinc/47/33/15/949473315.db2.gz XKWOEDKSWMARIC-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574707816 949475560 /nfs/dbraw/zinc/47/55/60/949475560.db2.gz QPJGGOJWBPIXBH-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574707816 949475573 /nfs/dbraw/zinc/47/55/73/949475573.db2.gz QPJGGOJWBPIXBH-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ncccc1-c1nnn[n-]1 ZINC001574707821 949476560 /nfs/dbraw/zinc/47/65/60/949476560.db2.gz QPMQCSRGABALOD-WDEREUQCSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ncccc1-c1nn[n-]n1 ZINC001574707821 949476568 /nfs/dbraw/zinc/47/65/68/949476568.db2.gz QPMQCSRGABALOD-WDEREUQCSA-N -1 3 382.432 0.759 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573804639 949476815 /nfs/dbraw/zinc/47/68/15/949476815.db2.gz YTVYSTBBIXULCH-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573804639 949476824 /nfs/dbraw/zinc/47/68/24/949476824.db2.gz YTVYSTBBIXULCH-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@](CNC(=O)Cn1ccnc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574948938 949477301 /nfs/dbraw/zinc/47/73/01/949477301.db2.gz OLXDSNPGZYATIE-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575266575 949482439 /nfs/dbraw/zinc/48/24/39/949482439.db2.gz ZPNNTEUQMGXOAK-RISCZKNCSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575266575 949482459 /nfs/dbraw/zinc/48/24/59/949482459.db2.gz ZPNNTEUQMGXOAK-RISCZKNCSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001574469484 949482943 /nfs/dbraw/zinc/48/29/43/949482943.db2.gz FJZUJDRXBGGIAI-TZMCWYRMSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001574469484 949482954 /nfs/dbraw/zinc/48/29/54/949482954.db2.gz FJZUJDRXBGGIAI-TZMCWYRMSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574949165 949484731 /nfs/dbraw/zinc/48/47/31/949484731.db2.gz RJZUHNJZAPRYQQ-LBPRGKRZSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574949165 949484748 /nfs/dbraw/zinc/48/47/48/949484748.db2.gz RJZUHNJZAPRYQQ-LBPRGKRZSA-N -1 3 384.448 0.841 20 0 GCADHM CC1(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001575537020 949485831 /nfs/dbraw/zinc/48/58/31/949485831.db2.gz QGHCOJBGYUHHSL-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001575537020 949485845 /nfs/dbraw/zinc/48/58/45/949485845.db2.gz QGHCOJBGYUHHSL-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CCCC1 ZINC001575537121 949486699 /nfs/dbraw/zinc/48/66/99/949486699.db2.gz ROEWXXGQETUXKT-JSGCOSHPSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CCCC1 ZINC001575537121 949486708 /nfs/dbraw/zinc/48/67/08/949486708.db2.gz ROEWXXGQETUXKT-JSGCOSHPSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574708208 949487528 /nfs/dbraw/zinc/48/75/28/949487528.db2.gz UDDKQGOXDYDRPZ-GHMZBOCLSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574708208 949487539 /nfs/dbraw/zinc/48/75/39/949487539.db2.gz UDDKQGOXDYDRPZ-GHMZBOCLSA-N -1 3 375.408 0.791 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574470088 949488239 /nfs/dbraw/zinc/48/82/39/949488239.db2.gz MCESRQGTAJNPHR-KRWDZBQOSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574470088 949488253 /nfs/dbraw/zinc/48/82/53/949488253.db2.gz MCESRQGTAJNPHR-KRWDZBQOSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)CC(=O)NC[C@H]1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)O1 ZINC001574118492 949494431 /nfs/dbraw/zinc/49/44/31/949494431.db2.gz GPLFFASLZIGEPN-CYBMUJFWSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(=O)NC[C@H]1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)O1 ZINC001574118492 949494448 /nfs/dbraw/zinc/49/44/48/949494448.db2.gz GPLFFASLZIGEPN-CYBMUJFWSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575537717 949497923 /nfs/dbraw/zinc/49/79/23/949497923.db2.gz AOERCZMZRKIKMX-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575537717 949497940 /nfs/dbraw/zinc/49/79/40/949497940.db2.gz AOERCZMZRKIKMX-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574470447 949502138 /nfs/dbraw/zinc/50/21/38/949502138.db2.gz RDSRWZYDVHHYFK-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574470447 949502158 /nfs/dbraw/zinc/50/21/58/949502158.db2.gz RDSRWZYDVHHYFK-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574708862 949502342 /nfs/dbraw/zinc/50/23/42/949502342.db2.gz XWVZLDOLJWMESY-NWDGAFQWSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574708862 949502357 /nfs/dbraw/zinc/50/23/57/949502357.db2.gz XWVZLDOLJWMESY-NWDGAFQWSA-N -1 3 387.448 0.311 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCCO1 ZINC001573808149 949507575 /nfs/dbraw/zinc/50/75/75/949507575.db2.gz DAYGSULLGBOKHO-CHWSQXEVSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCO1 ZINC001573808149 949507593 /nfs/dbraw/zinc/50/75/93/949507593.db2.gz DAYGSULLGBOKHO-CHWSQXEVSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1cccn1 ZINC001573808130 949507677 /nfs/dbraw/zinc/50/76/77/949507677.db2.gz CQGRTFDWYRDACT-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1cccn1 ZINC001573808130 949507687 /nfs/dbraw/zinc/50/76/87/949507687.db2.gz CQGRTFDWYRDACT-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574120881 949510672 /nfs/dbraw/zinc/51/06/72/949510672.db2.gz OCJJLNYPLSEASV-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574120881 949510685 /nfs/dbraw/zinc/51/06/85/949510685.db2.gz OCJJLNYPLSEASV-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574949772 949511336 /nfs/dbraw/zinc/51/13/36/949511336.db2.gz CTZPTLONIVSQMH-ABAIWWIYSA-N -1 3 389.435 0.563 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574949772 949511359 /nfs/dbraw/zinc/51/13/59/949511359.db2.gz CTZPTLONIVSQMH-ABAIWWIYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1n[nH]cc1F ZINC001573808363 949512324 /nfs/dbraw/zinc/51/23/24/949512324.db2.gz FGLCKVXEJVWDKS-LLVKDONJSA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808646 949516414 /nfs/dbraw/zinc/51/64/14/949516414.db2.gz HPLDXKVHFXIYTN-OLZOCXBDSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808646 949516427 /nfs/dbraw/zinc/51/64/27/949516427.db2.gz HPLDXKVHFXIYTN-OLZOCXBDSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573808504 949516987 /nfs/dbraw/zinc/51/69/87/949516987.db2.gz GOGTTXOJNAKCJF-PCJJGOFDSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573808504 949517000 /nfs/dbraw/zinc/51/70/00/949517000.db2.gz GOGTTXOJNAKCJF-PCJJGOFDSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnns1 ZINC001573808529 949517540 /nfs/dbraw/zinc/51/75/40/949517540.db2.gz GZACSLOCACSQBX-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnns1 ZINC001573808529 949517566 /nfs/dbraw/zinc/51/75/66/949517566.db2.gz GZACSLOCACSQBX-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@H](NC(=O)C[C@H]1CCCCO1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575268505 949519500 /nfs/dbraw/zinc/51/95/00/949519500.db2.gz NEUNLXKYJHHZKL-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C[C@H]1CCCCO1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575268505 949519513 /nfs/dbraw/zinc/51/95/13/949519513.db2.gz NEUNLXKYJHHZKL-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001574122024 949519862 /nfs/dbraw/zinc/51/98/62/949519862.db2.gz SXTXPAVZYIQRJM-UHFFFAOYSA-N -1 3 377.474 0.948 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001574122024 949519879 /nfs/dbraw/zinc/51/98/79/949519879.db2.gz SXTXPAVZYIQRJM-UHFFFAOYSA-N -1 3 377.474 0.948 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574471073 949520756 /nfs/dbraw/zinc/52/07/56/949520756.db2.gz ZGHAIOBKCGOMRN-TXEJJXNPSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574471073 949520782 /nfs/dbraw/zinc/52/07/82/949520782.db2.gz ZGHAIOBKCGOMRN-TXEJJXNPSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cccnn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808675 949521536 /nfs/dbraw/zinc/52/15/36/949521536.db2.gz IBGRKNWPZFLIHF-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cccnn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808675 949521549 /nfs/dbraw/zinc/52/15/49/949521549.db2.gz IBGRKNWPZFLIHF-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574710952 949522510 /nfs/dbraw/zinc/52/25/10/949522510.db2.gz CMBXPTNHDAADBN-SKDRFNHKSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574710952 949522530 /nfs/dbraw/zinc/52/25/30/949522530.db2.gz CMBXPTNHDAADBN-SKDRFNHKSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574711092 949523144 /nfs/dbraw/zinc/52/31/44/949523144.db2.gz DBGIVYMOESUEOS-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574711092 949523162 /nfs/dbraw/zinc/52/31/62/949523162.db2.gz DBGIVYMOESUEOS-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574471026 949523554 /nfs/dbraw/zinc/52/35/54/949523554.db2.gz YEWXLOIPJQSIQC-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574471026 949523572 /nfs/dbraw/zinc/52/35/72/949523572.db2.gz YEWXLOIPJQSIQC-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COCC1CC1 ZINC001573808677 949524935 /nfs/dbraw/zinc/52/49/35/949524935.db2.gz IBKAFGVNNPXILV-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COCC1CC1 ZINC001573808677 949524946 /nfs/dbraw/zinc/52/49/46/949524946.db2.gz IBKAFGVNNPXILV-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574122482 949527225 /nfs/dbraw/zinc/52/72/25/949527225.db2.gz XNVCHELREHSRFX-OKILXGFUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574122482 949527238 /nfs/dbraw/zinc/52/72/38/949527238.db2.gz XNVCHELREHSRFX-OKILXGFUSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575538710 949528144 /nfs/dbraw/zinc/52/81/44/949528144.db2.gz JBPFZFQAQNYDLT-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575538710 949528168 /nfs/dbraw/zinc/52/81/68/949528168.db2.gz JBPFZFQAQNYDLT-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575268719 949529440 /nfs/dbraw/zinc/52/94/40/949529440.db2.gz OJGUHSYZOBNMJI-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575268719 949529453 /nfs/dbraw/zinc/52/94/53/949529453.db2.gz OJGUHSYZOBNMJI-MNOVXSKESA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872096 949533232 /nfs/dbraw/zinc/53/32/32/949533232.db2.gz GGIZRIDSBFNJDK-ZYHUDNBSSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872096 949533249 /nfs/dbraw/zinc/53/32/49/949533249.db2.gz GGIZRIDSBFNJDK-ZYHUDNBSSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nnn[n-]4)nc3)C2)CCOC1 ZINC001575539075 949536053 /nfs/dbraw/zinc/53/60/53/949536053.db2.gz MGCRFAYFLVCUTI-QZTJIDSGSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[n-]n4)nc3)C2)CCOC1 ZINC001575539075 949536063 /nfs/dbraw/zinc/53/60/63/949536063.db2.gz MGCRFAYFLVCUTI-QZTJIDSGSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576163529 949536223 /nfs/dbraw/zinc/53/62/23/949536223.db2.gz BPNMRGZOIWTWEG-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576163529 949536236 /nfs/dbraw/zinc/53/62/36/949536236.db2.gz BPNMRGZOIWTWEG-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574471872 949536632 /nfs/dbraw/zinc/53/66/32/949536632.db2.gz ODZZGROKEVAVJM-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574471872 949536644 /nfs/dbraw/zinc/53/66/44/949536644.db2.gz ODZZGROKEVAVJM-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001574471858 949536859 /nfs/dbraw/zinc/53/68/59/949536859.db2.gz NSIUXOKEUYJZOC-LLVKDONJSA-N -1 3 382.388 0.426 20 0 GCADHM CC(C)n1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001574471858 949536878 /nfs/dbraw/zinc/53/68/78/949536878.db2.gz NSIUXOKEUYJZOC-LLVKDONJSA-N -1 3 382.388 0.426 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576163445 949537217 /nfs/dbraw/zinc/53/72/17/949537217.db2.gz BFUUGMZYRJNTGQ-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576163445 949537241 /nfs/dbraw/zinc/53/72/41/949537241.db2.gz BFUUGMZYRJNTGQ-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cn1ccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809237 949538530 /nfs/dbraw/zinc/53/85/30/949538530.db2.gz NQMYQJROELEMQM-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cn1ccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809237 949538541 /nfs/dbraw/zinc/53/85/41/949538541.db2.gz NQMYQJROELEMQM-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576163613 949540507 /nfs/dbraw/zinc/54/05/07/949540507.db2.gz CJNHQXMTABRTLA-DOMZBBRYSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575539150 949540790 /nfs/dbraw/zinc/54/07/90/949540790.db2.gz NEUGQHDDWUHPJR-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576163613 949540525 /nfs/dbraw/zinc/54/05/25/949540525.db2.gz CJNHQXMTABRTLA-DOMZBBRYSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575539150 949540805 /nfs/dbraw/zinc/54/08/05/949540805.db2.gz NEUGQHDDWUHPJR-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cc[nH]n1 ZINC001573809484 949541642 /nfs/dbraw/zinc/54/16/42/949541642.db2.gz QMPJWLGEKYAWNP-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cc[nH]n1 ZINC001573809484 949541657 /nfs/dbraw/zinc/54/16/57/949541657.db2.gz QMPJWLGEKYAWNP-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001573809420 949542124 /nfs/dbraw/zinc/54/21/24/949542124.db2.gz PNINVQZSVSPDDA-MFKMUULPSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001573809420 949542137 /nfs/dbraw/zinc/54/21/37/949542137.db2.gz PNINVQZSVSPDDA-MFKMUULPSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCOC1 ZINC001573809419 949542602 /nfs/dbraw/zinc/54/26/02/949542602.db2.gz PNINVQZSVSPDDA-GXFFZTMASA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCOC1 ZINC001573809419 949542627 /nfs/dbraw/zinc/54/26/27/949542627.db2.gz PNINVQZSVSPDDA-GXFFZTMASA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cc[nH]n1 ZINC001573809485 949543054 /nfs/dbraw/zinc/54/30/54/949543054.db2.gz QMPJWLGEKYAWNP-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cc[nH]n1 ZINC001573809485 949543073 /nfs/dbraw/zinc/54/30/73/949543073.db2.gz QMPJWLGEKYAWNP-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001573809664 949548806 /nfs/dbraw/zinc/54/88/06/949548806.db2.gz SNSPFXCWSMSPBT-MFKMUULPSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001573809664 949548824 /nfs/dbraw/zinc/54/88/24/949548824.db2.gz SNSPFXCWSMSPBT-MFKMUULPSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574950939 949549283 /nfs/dbraw/zinc/54/92/83/949549283.db2.gz USNLTYGZUQJHBU-HZMBPMFUSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574950939 949549299 /nfs/dbraw/zinc/54/92/99/949549299.db2.gz USNLTYGZUQJHBU-HZMBPMFUSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711703 949550221 /nfs/dbraw/zinc/55/02/21/949550221.db2.gz KQXYYDFQBDXEMJ-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2nccn2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711703 949550235 /nfs/dbraw/zinc/55/02/35/949550235.db2.gz KQXYYDFQBDXEMJ-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nnn[n-]4)cn3)C2)CCOC1 ZINC001575539726 949553184 /nfs/dbraw/zinc/55/31/84/949553184.db2.gz SHBPFMMEAWVKMB-QZTJIDSGSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[n-]n4)cn3)C2)CCOC1 ZINC001575539726 949553196 /nfs/dbraw/zinc/55/31/96/949553196.db2.gz SHBPFMMEAWVKMB-QZTJIDSGSA-N -1 3 387.444 0.454 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnns1 ZINC001573809701 949553242 /nfs/dbraw/zinc/55/32/42/949553242.db2.gz TZLMUYPSDMRIFU-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnns1 ZINC001573809701 949553258 /nfs/dbraw/zinc/55/32/58/949553258.db2.gz TZLMUYPSDMRIFU-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnsn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809731 949553562 /nfs/dbraw/zinc/55/35/62/949553562.db2.gz ULZGBRQHRVJDPH-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnsn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809731 949553572 /nfs/dbraw/zinc/55/35/72/949553572.db2.gz ULZGBRQHRVJDPH-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC1(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(-c4nnn[n-]4)[nH]2)CCO3)CC1 ZINC001575539816 949555623 /nfs/dbraw/zinc/55/56/23/949555623.db2.gz UFUTUJZZZPDPID-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(-c4nn[n-]n4)[nH]2)CCO3)CC1 ZINC001575539816 949555635 /nfs/dbraw/zinc/55/56/35/949555635.db2.gz UFUTUJZZZPDPID-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574472944 949555445 /nfs/dbraw/zinc/55/54/45/949555445.db2.gz WUOJNVSADPSMNO-ZWNOBZJWSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574472944 949555458 /nfs/dbraw/zinc/55/54/58/949555458.db2.gz WUOJNVSADPSMNO-ZWNOBZJWSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)NC(N)=O ZINC001574472854 949555503 /nfs/dbraw/zinc/55/55/03/949555503.db2.gz WLRFBAAFWUBHLB-QMTHXVAHSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)NC(N)=O ZINC001574472854 949555513 /nfs/dbraw/zinc/55/55/13/949555513.db2.gz WLRFBAAFWUBHLB-QMTHXVAHSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1c[nH]cn1 ZINC001573809908 949559187 /nfs/dbraw/zinc/55/91/87/949559187.db2.gz WEIZHLMDYIPBTI-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711859 949562563 /nfs/dbraw/zinc/56/25/63/949562563.db2.gz NGGAYPQODRCUFP-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711859 949562576 /nfs/dbraw/zinc/56/25/76/949562576.db2.gz NGGAYPQODRCUFP-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574124152 949564306 /nfs/dbraw/zinc/56/43/06/949564306.db2.gz DHNUJKDRHLXDNM-KGLIPLIRSA-N -1 3 386.460 0.446 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574124152 949564323 /nfs/dbraw/zinc/56/43/23/949564323.db2.gz DHNUJKDRHLXDNM-KGLIPLIRSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001574475443 949565970 /nfs/dbraw/zinc/56/59/70/949565970.db2.gz AHFAJYSPEOJCQS-ZIAGYGMSSA-N -1 3 384.444 0.946 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001574475443 949565984 /nfs/dbraw/zinc/56/59/84/949565984.db2.gz AHFAJYSPEOJCQS-ZIAGYGMSSA-N -1 3 384.444 0.946 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574124151 949566192 /nfs/dbraw/zinc/56/61/92/949566192.db2.gz DHNUJKDRHLXDNM-KBPBESRZSA-N -1 3 386.460 0.446 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574124151 949566205 /nfs/dbraw/zinc/56/62/05/949566205.db2.gz DHNUJKDRHLXDNM-KBPBESRZSA-N -1 3 386.460 0.446 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1c[nH]cn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810105 949566975 /nfs/dbraw/zinc/56/69/75/949566975.db2.gz ZDJZFRAISJAFCY-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001574475437 949567854 /nfs/dbraw/zinc/56/78/54/949567854.db2.gz AEOOJHZXMKFHAT-TZMCWYRMSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001574475437 949567869 /nfs/dbraw/zinc/56/78/69/949567869.db2.gz AEOOJHZXMKFHAT-TZMCWYRMSA-N -1 3 385.432 0.341 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1c[nH]cn1 ZINC001573810099 949567889 /nfs/dbraw/zinc/56/78/89/949567889.db2.gz YZRKTBVGPOAXSQ-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](CC(=O)N(C)CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574475480 949568317 /nfs/dbraw/zinc/56/83/17/949568317.db2.gz ATLNEYBISWTFCH-LBPRGKRZSA-N -1 3 385.432 0.621 20 0 GCADHM C[C@@H](CC(=O)N(C)CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574475480 949568331 /nfs/dbraw/zinc/56/83/31/949568331.db2.gz ATLNEYBISWTFCH-LBPRGKRZSA-N -1 3 385.432 0.621 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575270092 949570023 /nfs/dbraw/zinc/57/00/23/949570023.db2.gz AXXGVYXEHCFXDY-NSHDSACASA-N -1 3 389.435 0.598 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575270066 949570318 /nfs/dbraw/zinc/57/03/18/949570318.db2.gz ANQXFSFMSPARKO-SNVBAGLBSA-N -1 3 390.423 0.001 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001574125042 949580472 /nfs/dbraw/zinc/58/04/72/949580472.db2.gz NKIURLKSOKOOHE-KWCYVHTRSA-N -1 3 386.460 0.350 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001574125042 949580482 /nfs/dbraw/zinc/58/04/82/949580482.db2.gz NKIURLKSOKOOHE-KWCYVHTRSA-N -1 3 386.460 0.350 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574712390 949580337 /nfs/dbraw/zinc/58/03/37/949580337.db2.gz RYHMGCQXGPWVTQ-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574475995 949581007 /nfs/dbraw/zinc/58/10/07/949581007.db2.gz DYEVSKFSWUCIDH-ZDUSSCGKSA-N -1 3 384.448 0.789 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001574124972 949582090 /nfs/dbraw/zinc/58/20/90/949582090.db2.gz MVLGJIUJUWONTB-ZFWWWQNUSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001574124972 949582114 /nfs/dbraw/zinc/58/21/14/949582114.db2.gz MVLGJIUJUWONTB-ZFWWWQNUSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001574124971 949582606 /nfs/dbraw/zinc/58/26/06/949582606.db2.gz MVLGJIUJUWONTB-UKRRQHHQSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001574124971 949582632 /nfs/dbraw/zinc/58/26/32/949582632.db2.gz MVLGJIUJUWONTB-UKRRQHHQSA-N -1 3 386.460 0.716 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574475929 949583919 /nfs/dbraw/zinc/58/39/19/949583919.db2.gz DMRGKSVNJPAZEE-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574475929 949583932 /nfs/dbraw/zinc/58/39/32/949583932.db2.gz DMRGKSVNJPAZEE-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574125478 949585333 /nfs/dbraw/zinc/58/53/33/949585333.db2.gz QFBZNZZKHCKRQZ-CYBMUJFWSA-N -1 3 391.501 0.718 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574712721 949586604 /nfs/dbraw/zinc/58/66/04/949586604.db2.gz TZXWILZLGJETIK-WDEREUQCSA-N -1 3 390.423 0.576 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573811013 949586655 /nfs/dbraw/zinc/58/66/55/949586655.db2.gz GQPLSRSTUHAGHN-STQMWFEESA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573811013 949586668 /nfs/dbraw/zinc/58/66/68/949586668.db2.gz GQPLSRSTUHAGHN-STQMWFEESA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574712721 949586621 /nfs/dbraw/zinc/58/66/21/949586621.db2.gz TZXWILZLGJETIK-WDEREUQCSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001575270443 949587122 /nfs/dbraw/zinc/58/71/22/949587122.db2.gz ZTDXWBMMAQDCGT-GHMZBOCLSA-N -1 3 375.408 0.602 20 0 GCADHM C[C@@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001575270443 949587143 /nfs/dbraw/zinc/58/71/43/949587143.db2.gz ZTDXWBMMAQDCGT-GHMZBOCLSA-N -1 3 375.408 0.602 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574712752 949589176 /nfs/dbraw/zinc/58/91/76/949589176.db2.gz UEXMBAQSRQBMOK-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574712752 949589190 /nfs/dbraw/zinc/58/91/90/949589190.db2.gz UEXMBAQSRQBMOK-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712860 949591032 /nfs/dbraw/zinc/59/10/32/949591032.db2.gz UGGNAXNZGFFQNX-QWRGUYRKSA-N -1 3 382.432 0.444 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)NCCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001574125539 949592301 /nfs/dbraw/zinc/59/23/01/949592301.db2.gz SHGZRXXYCDIJAL-LLVKDONJSA-N -1 3 378.412 0.467 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)NCCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001574125539 949592321 /nfs/dbraw/zinc/59/23/21/949592321.db2.gz SHGZRXXYCDIJAL-LLVKDONJSA-N -1 3 378.412 0.467 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575873775 949592557 /nfs/dbraw/zinc/59/25/57/949592557.db2.gz QBAUKNZVUWHUSC-OCCSQVGLSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575873775 949592575 /nfs/dbraw/zinc/59/25/75/949592575.db2.gz QBAUKNZVUWHUSC-OCCSQVGLSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574476281 949593572 /nfs/dbraw/zinc/59/35/72/949593572.db2.gz FUUIBCPWFRZRKP-UWVGGRQHSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574476281 949593581 /nfs/dbraw/zinc/59/35/81/949593581.db2.gz FUUIBCPWFRZRKP-UWVGGRQHSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576166992 949594793 /nfs/dbraw/zinc/59/47/93/949594793.db2.gz OBLRKZFEQHLFJI-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576166992 949594812 /nfs/dbraw/zinc/59/48/12/949594812.db2.gz OBLRKZFEQHLFJI-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576167029 949598175 /nfs/dbraw/zinc/59/81/75/949598175.db2.gz OJYJTGJMVGNYKS-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576167029 949598187 /nfs/dbraw/zinc/59/81/87/949598187.db2.gz OJYJTGJMVGNYKS-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](NC(=O)CC[C@H]1CCCO1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575270723 949599272 /nfs/dbraw/zinc/59/92/72/949599272.db2.gz FSLLIIYXSXHFFU-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC[C@H]1CCCO1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575270723 949599290 /nfs/dbraw/zinc/59/92/90/949599290.db2.gz FSLLIIYXSXHFFU-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574476499 949602561 /nfs/dbraw/zinc/60/25/61/949602561.db2.gz DETKQESHHAMUOI-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574476499 949602571 /nfs/dbraw/zinc/60/25/71/949602571.db2.gz DETKQESHHAMUOI-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713453 949604149 /nfs/dbraw/zinc/60/41/49/949604149.db2.gz XNMCHCWDVUHBGD-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCNC(=O)C1 ZINC001575546108 949608402 /nfs/dbraw/zinc/60/84/02/949608402.db2.gz OUEZCKMJBFFDNK-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@]1(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCNC(=O)C1 ZINC001575546108 949608414 /nfs/dbraw/zinc/60/84/14/949608414.db2.gz OUEZCKMJBFFDNK-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574713660 949609295 /nfs/dbraw/zinc/60/92/95/949609295.db2.gz AORPWHYQPXLEFX-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574713660 949609314 /nfs/dbraw/zinc/60/93/14/949609314.db2.gz AORPWHYQPXLEFX-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCNC(=O)C1 ZINC001575546105 949610415 /nfs/dbraw/zinc/61/04/15/949610415.db2.gz OUEZCKMJBFFDNK-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCNC(=O)C1 ZINC001575546105 949610432 /nfs/dbraw/zinc/61/04/32/949610432.db2.gz OUEZCKMJBFFDNK-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@@H](CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001574476718 949615958 /nfs/dbraw/zinc/61/59/58/949615958.db2.gz GOIKQMKYVLVIFR-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001574476718 949615974 /nfs/dbraw/zinc/61/59/74/949615974.db2.gz GOIKQMKYVLVIFR-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575271450 949619021 /nfs/dbraw/zinc/61/90/21/949619021.db2.gz KKLOWMOYRFJWRA-GHMZBOCLSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575271450 949619034 /nfs/dbraw/zinc/61/90/34/949619034.db2.gz KKLOWMOYRFJWRA-GHMZBOCLSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576167659 949619090 /nfs/dbraw/zinc/61/90/90/949619090.db2.gz DICYRGPMJJVZLQ-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576167659 949619103 /nfs/dbraw/zinc/61/91/03/949619103.db2.gz DICYRGPMJJVZLQ-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575271403 949619744 /nfs/dbraw/zinc/61/97/44/949619744.db2.gz KAWAXYNPNMGTGC-GXTWGEPZSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575271403 949619755 /nfs/dbraw/zinc/61/97/55/949619755.db2.gz KAWAXYNPNMGTGC-GXTWGEPZSA-N -1 3 386.460 0.638 20 0 GCADHM CC(C)(C)[C@H](CNCc1nncs1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573812814 949622725 /nfs/dbraw/zinc/62/27/25/949622725.db2.gz UURMXTGSLNUNSV-NSHDSACASA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)(C)[C@H](CNCc1nncs1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573812814 949622735 /nfs/dbraw/zinc/62/27/35/949622735.db2.gz UURMXTGSLNUNSV-NSHDSACASA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574128250 949623637 /nfs/dbraw/zinc/62/36/37/949623637.db2.gz MSWMNBZEKKJUGR-LBPRGKRZSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574128250 949623649 /nfs/dbraw/zinc/62/36/49/949623649.db2.gz MSWMNBZEKKJUGR-LBPRGKRZSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001574476867 949623919 /nfs/dbraw/zinc/62/39/19/949623919.db2.gz IGFVBLVGBWDHPE-ZDUSSCGKSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001574476867 949623932 /nfs/dbraw/zinc/62/39/32/949623932.db2.gz IGFVBLVGBWDHPE-ZDUSSCGKSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874823 949624052 /nfs/dbraw/zinc/62/40/52/949624052.db2.gz HEENJWXGFVUPEE-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874823 949624062 /nfs/dbraw/zinc/62/40/62/949624062.db2.gz HEENJWXGFVUPEE-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575271633 949624205 /nfs/dbraw/zinc/62/42/05/949624205.db2.gz LKJQYFMMHFCOQU-MNOVXSKESA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575271633 949624216 /nfs/dbraw/zinc/62/42/16/949624216.db2.gz LKJQYFMMHFCOQU-MNOVXSKESA-N -1 3 390.423 0.718 20 0 GCADHM C[C@H](NC(=O)CCN1CCCC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575271634 949624505 /nfs/dbraw/zinc/62/45/05/949624505.db2.gz LKJQYFMMHFCOQU-QWRGUYRKSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@H](NC(=O)CCN1CCCC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575271634 949624517 /nfs/dbraw/zinc/62/45/17/949624517.db2.gz LKJQYFMMHFCOQU-QWRGUYRKSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575874826 949624666 /nfs/dbraw/zinc/62/46/66/949624666.db2.gz HESDQNIENAXULF-RISCZKNCSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COC2CCCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575874826 949624681 /nfs/dbraw/zinc/62/46/81/949624681.db2.gz HESDQNIENAXULF-RISCZKNCSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168040 949625091 /nfs/dbraw/zinc/62/50/91/949625091.db2.gz BGXWJYAGMQMUQD-SMDDNHRTSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168040 949625106 /nfs/dbraw/zinc/62/51/06/949625106.db2.gz BGXWJYAGMQMUQD-SMDDNHRTSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574714139 949624895 /nfs/dbraw/zinc/62/48/95/949624895.db2.gz CLSCZLHCDHLUIZ-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574714139 949624911 /nfs/dbraw/zinc/62/49/11/949624911.db2.gz CLSCZLHCDHLUIZ-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575271828 949627557 /nfs/dbraw/zinc/62/75/57/949627557.db2.gz MTBVXZNYDMCXCB-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575271828 949627569 /nfs/dbraw/zinc/62/75/69/949627569.db2.gz MTBVXZNYDMCXCB-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575875240 949627930 /nfs/dbraw/zinc/62/79/30/949627930.db2.gz HQDVUYPKHLYVNC-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575875240 949627942 /nfs/dbraw/zinc/62/79/42/949627942.db2.gz HQDVUYPKHLYVNC-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575272067 949631869 /nfs/dbraw/zinc/63/18/69/949631869.db2.gz NBIUDDPTTSOVKY-YUMQZZPRSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575272067 949631882 /nfs/dbraw/zinc/63/18/82/949631882.db2.gz NBIUDDPTTSOVKY-YUMQZZPRSA-N -1 3 381.828 0.279 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574129109 949632240 /nfs/dbraw/zinc/63/22/40/949632240.db2.gz QGTIUVAGDYKMJE-ZDUSSCGKSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574129109 949632250 /nfs/dbraw/zinc/63/22/50/949632250.db2.gz QGTIUVAGDYKMJE-ZDUSSCGKSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575272072 949634203 /nfs/dbraw/zinc/63/42/03/949634203.db2.gz NDZNVAZLWBATDH-AAEUAGOBSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575272072 949634215 /nfs/dbraw/zinc/63/42/15/949634215.db2.gz NDZNVAZLWBATDH-AAEUAGOBSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576168374 949635799 /nfs/dbraw/zinc/63/57/99/949635799.db2.gz GPTHGSPWFRFKNU-TZMCWYRMSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576168374 949635819 /nfs/dbraw/zinc/63/58/19/949635819.db2.gz GPTHGSPWFRFKNU-TZMCWYRMSA-N -1 3 389.460 0.572 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCC1 ZINC001575547677 949635981 /nfs/dbraw/zinc/63/59/81/949635981.db2.gz CCHJKJKNFWBPIP-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCC1 ZINC001575547677 949635995 /nfs/dbraw/zinc/63/59/95/949635995.db2.gz CCHJKJKNFWBPIP-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](NC(=O)CCC1CC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575272355 949640536 /nfs/dbraw/zinc/64/05/36/949640536.db2.gz POYIXJVWWQUTMB-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CCC1CC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575272355 949640554 /nfs/dbraw/zinc/64/05/54/949640554.db2.gz POYIXJVWWQUTMB-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876306 949644711 /nfs/dbraw/zinc/64/47/11/949644711.db2.gz JTLIBGKXIKQXBS-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876306 949644725 /nfs/dbraw/zinc/64/47/25/949644725.db2.gz JTLIBGKXIKQXBS-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574129761 949644957 /nfs/dbraw/zinc/64/49/57/949644957.db2.gz XGOYYZDXVQRNJN-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574129761 949644968 /nfs/dbraw/zinc/64/49/68/949644968.db2.gz XGOYYZDXVQRNJN-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575876315 949645940 /nfs/dbraw/zinc/64/59/40/949645940.db2.gz JTYABVWHVOKCEG-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575876315 949645949 /nfs/dbraw/zinc/64/59/49/949645949.db2.gz JTYABVWHVOKCEG-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574129872 949648615 /nfs/dbraw/zinc/64/86/15/949648615.db2.gz ZUWPUNSJJJZXSZ-GFCCVEGCSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574129872 949648631 /nfs/dbraw/zinc/64/86/31/949648631.db2.gz ZUWPUNSJJJZXSZ-GFCCVEGCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575272683 949651858 /nfs/dbraw/zinc/65/18/58/949651858.db2.gz RRAMNZFCVONJQR-GWCFXTLKSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575272683 949651875 /nfs/dbraw/zinc/65/18/75/949651875.db2.gz RRAMNZFCVONJQR-GWCFXTLKSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574958067 949652422 /nfs/dbraw/zinc/65/24/22/949652422.db2.gz FJYGZZWOGGKOMS-LHMODEAPSA-N -1 3 375.408 0.909 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574958067 949652435 /nfs/dbraw/zinc/65/24/35/949652435.db2.gz FJYGZZWOGGKOMS-LHMODEAPSA-N -1 3 375.408 0.909 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574958058 949653328 /nfs/dbraw/zinc/65/33/28/949653328.db2.gz FAQVAGWDIYMWCZ-KWCYVHTRSA-N -1 3 386.460 0.884 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574958058 949653341 /nfs/dbraw/zinc/65/33/41/949653341.db2.gz FAQVAGWDIYMWCZ-KWCYVHTRSA-N -1 3 386.460 0.884 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574958188 949656080 /nfs/dbraw/zinc/65/60/80/949656080.db2.gz NIVPUOOYYPZZNY-TWJWRFFLSA-N -1 3 387.444 0.254 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574958188 949656090 /nfs/dbraw/zinc/65/60/90/949656090.db2.gz NIVPUOOYYPZZNY-TWJWRFFLSA-N -1 3 387.444 0.254 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575877111 949656173 /nfs/dbraw/zinc/65/61/73/949656173.db2.gz KWAWJVILUAEQFD-AAEUAGOBSA-N -1 3 382.432 0.486 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575877111 949656190 /nfs/dbraw/zinc/65/61/90/949656190.db2.gz KWAWJVILUAEQFD-AAEUAGOBSA-N -1 3 382.432 0.486 20 0 GCADHM CC(C)C[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574131386 949657208 /nfs/dbraw/zinc/65/72/08/949657208.db2.gz DNXXXEKEGJLUCA-QWHCGFSZSA-N -1 3 391.476 0.768 20 0 GCADHM CC(C)C[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574131386 949657221 /nfs/dbraw/zinc/65/72/21/949657221.db2.gz DNXXXEKEGJLUCA-QWHCGFSZSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575877168 949658590 /nfs/dbraw/zinc/65/85/90/949658590.db2.gz KYQGHHPEWABARO-TZMCWYRMSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575877168 949658599 /nfs/dbraw/zinc/65/85/99/949658599.db2.gz KYQGHHPEWABARO-TZMCWYRMSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574477508 949659593 /nfs/dbraw/zinc/65/95/93/949659593.db2.gz RUPJFZOXFKYIJI-BXUZGUMPSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574477508 949659611 /nfs/dbraw/zinc/65/96/11/949659611.db2.gz RUPJFZOXFKYIJI-BXUZGUMPSA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)C[C@H](C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574131608 949660164 /nfs/dbraw/zinc/66/01/64/949660164.db2.gz HYTFIHBHPIDJEM-JSGCOSHPSA-N -1 3 391.476 0.768 20 0 GCADHM CC(C)C[C@H](C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574131608 949660181 /nfs/dbraw/zinc/66/01/81/949660181.db2.gz HYTFIHBHPIDJEM-JSGCOSHPSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574715706 949663773 /nfs/dbraw/zinc/66/37/73/949663773.db2.gz FJMHJNMFLWNHIH-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574715706 949663790 /nfs/dbraw/zinc/66/37/90/949663790.db2.gz FJMHJNMFLWNHIH-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001574477581 949664841 /nfs/dbraw/zinc/66/48/41/949664841.db2.gz SJIFYFONHCWRHG-IUODEOHRSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001574477581 949664851 /nfs/dbraw/zinc/66/48/51/949664851.db2.gz SJIFYFONHCWRHG-IUODEOHRSA-N -1 3 389.460 0.930 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574131646 949666405 /nfs/dbraw/zinc/66/64/05/949666405.db2.gz JCEZNPHLFOJOHX-GXTWGEPZSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574131646 949666419 /nfs/dbraw/zinc/66/64/19/949666419.db2.gz JCEZNPHLFOJOHX-GXTWGEPZSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575877686 949667151 /nfs/dbraw/zinc/66/71/51/949667151.db2.gz MJISNKMEPPDLLK-GXTWGEPZSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575877686 949667164 /nfs/dbraw/zinc/66/71/64/949667164.db2.gz MJISNKMEPPDLLK-GXTWGEPZSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575877689 949667506 /nfs/dbraw/zinc/66/75/06/949667506.db2.gz MJISNKMEPPDLLK-JSGCOSHPSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575877689 949667514 /nfs/dbraw/zinc/66/75/14/949667514.db2.gz MJISNKMEPPDLLK-JSGCOSHPSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575877778 949670139 /nfs/dbraw/zinc/67/01/39/949670139.db2.gz MYQJJBCNZYGAQA-WCQYABFASA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575877778 949670152 /nfs/dbraw/zinc/67/01/52/949670152.db2.gz MYQJJBCNZYGAQA-WCQYABFASA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575877796 949671766 /nfs/dbraw/zinc/67/17/66/949671766.db2.gz NJBKZGCCDXCOLR-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575877796 949671776 /nfs/dbraw/zinc/67/17/76/949671776.db2.gz NJBKZGCCDXCOLR-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCOCC1 ZINC001575548396 949673225 /nfs/dbraw/zinc/67/32/25/949673225.db2.gz ZIJWRQLJUQEYPP-AWEZNQCLSA-N -1 3 387.444 0.718 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCOCC1 ZINC001575548396 949673241 /nfs/dbraw/zinc/67/32/41/949673241.db2.gz ZIJWRQLJUQEYPP-AWEZNQCLSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574477754 949674972 /nfs/dbraw/zinc/67/49/72/949674972.db2.gz URCOKKQNUOAXHS-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574477754 949674988 /nfs/dbraw/zinc/67/49/88/949674988.db2.gz URCOKKQNUOAXHS-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575274097 949676407 /nfs/dbraw/zinc/67/64/07/949676407.db2.gz YPRRKHJKFBBKCS-GWCFXTLKSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575274097 949676419 /nfs/dbraw/zinc/67/64/19/949676419.db2.gz YPRRKHJKFBBKCS-GWCFXTLKSA-N -1 3 379.396 0.290 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573816385 949680174 /nfs/dbraw/zinc/68/01/74/949680174.db2.gz RXKRPXPSPCXICU-XIKOKIGWSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573816385 949680189 /nfs/dbraw/zinc/68/01/89/949680189.db2.gz RXKRPXPSPCXICU-XIKOKIGWSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574958678 949685307 /nfs/dbraw/zinc/68/53/07/949685307.db2.gz MJDFIYZOMZYZBB-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574958678 949685327 /nfs/dbraw/zinc/68/53/27/949685327.db2.gz MJDFIYZOMZYZBB-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1cnccn1 ZINC001575274573 949686505 /nfs/dbraw/zinc/68/65/05/949686505.db2.gz AMFIZSRKNYXMNB-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1cnccn1 ZINC001575274573 949686517 /nfs/dbraw/zinc/68/65/17/949686517.db2.gz AMFIZSRKNYXMNB-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574132274 949687852 /nfs/dbraw/zinc/68/78/52/949687852.db2.gz UPZLYOPYUBNQFZ-STQMWFEESA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574132274 949687865 /nfs/dbraw/zinc/68/78/65/949687865.db2.gz UPZLYOPYUBNQFZ-STQMWFEESA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCNC(N)=O ZINC001573816965 949689610 /nfs/dbraw/zinc/68/96/10/949689610.db2.gz WMLDQNIZIWJEQL-GFCCVEGCSA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CCNC(N)=O ZINC001573816965 949689626 /nfs/dbraw/zinc/68/96/26/949689626.db2.gz WMLDQNIZIWJEQL-GFCCVEGCSA-N -1 3 375.437 0.263 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574478028 949693090 /nfs/dbraw/zinc/69/30/90/949693090.db2.gz UNKFYPMXNGLQNJ-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574478028 949693105 /nfs/dbraw/zinc/69/31/05/949693105.db2.gz UNKFYPMXNGLQNJ-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575553700 949693649 /nfs/dbraw/zinc/69/36/49/949693649.db2.gz OWCXRCCMKJTJSP-UCMVZMLTSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575553700 949693660 /nfs/dbraw/zinc/69/36/60/949693660.db2.gz OWCXRCCMKJTJSP-UCMVZMLTSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574716444 949695054 /nfs/dbraw/zinc/69/50/54/949695054.db2.gz OQRAFDDDKDQPOV-GHMZBOCLSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574716444 949695072 /nfs/dbraw/zinc/69/50/72/949695072.db2.gz OQRAFDDDKDQPOV-GHMZBOCLSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574478089 949695254 /nfs/dbraw/zinc/69/52/54/949695254.db2.gz XPECKRCPRZDSMH-JSGCOSHPSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574478089 949695274 /nfs/dbraw/zinc/69/52/74/949695274.db2.gz XPECKRCPRZDSMH-JSGCOSHPSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576169843 949695915 /nfs/dbraw/zinc/69/59/15/949695915.db2.gz JWBCZHATXWAPMO-DGCLKSJQSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576169843 949695923 /nfs/dbraw/zinc/69/59/23/949695923.db2.gz JWBCZHATXWAPMO-DGCLKSJQSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574716610 949698690 /nfs/dbraw/zinc/69/86/90/949698690.db2.gz LARQIGHNIWYCQX-NXEZZACHSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574716610 949698706 /nfs/dbraw/zinc/69/87/06/949698706.db2.gz LARQIGHNIWYCQX-NXEZZACHSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574959039 949702433 /nfs/dbraw/zinc/70/24/33/949702433.db2.gz PUCLQQYQJQMOCW-TVYUQYBPSA-N -1 3 385.407 0.855 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574959039 949702451 /nfs/dbraw/zinc/70/24/51/949702451.db2.gz PUCLQQYQJQMOCW-TVYUQYBPSA-N -1 3 385.407 0.855 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573817320 949703904 /nfs/dbraw/zinc/70/39/04/949703904.db2.gz ZJPLGXNUKUELPV-BXUZGUMPSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573817320 949703918 /nfs/dbraw/zinc/70/39/18/949703918.db2.gz ZJPLGXNUKUELPV-BXUZGUMPSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573817323 949705273 /nfs/dbraw/zinc/70/52/73/949705273.db2.gz ZJPLGXNUKUELPV-FZMZJTMJSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573817323 949705287 /nfs/dbraw/zinc/70/52/87/949705287.db2.gz ZJPLGXNUKUELPV-FZMZJTMJSA-N -1 3 386.460 0.731 20 0 GCADHM CC1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC001575557223 949710763 /nfs/dbraw/zinc/71/07/63/949710763.db2.gz DNLCXMXUFBETJW-GFCCVEGCSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC001575557223 949710779 /nfs/dbraw/zinc/71/07/79/949710779.db2.gz DNLCXMXUFBETJW-GFCCVEGCSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575557213 949711641 /nfs/dbraw/zinc/71/16/41/949711641.db2.gz DICGXLFWIIFRNK-IMRBUKKESA-N -1 3 385.428 0.198 20 0 GCADHM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575557213 949711660 /nfs/dbraw/zinc/71/16/60/949711660.db2.gz DICGXLFWIIFRNK-IMRBUKKESA-N -1 3 385.428 0.198 20 0 GCADHM C[C@H]1[C@H](NC(=O)CN(C)C2CCC2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575881272 949713360 /nfs/dbraw/zinc/71/33/60/949713360.db2.gz XAMBGHSCNXUBMM-GXTWGEPZSA-N -1 3 385.476 0.615 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880977 949714473 /nfs/dbraw/zinc/71/44/73/949714473.db2.gz WMEDCTOJNPAVFE-FZMZJTMJSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COC2CCCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880977 949714482 /nfs/dbraw/zinc/71/44/82/949714482.db2.gz WMEDCTOJNPAVFE-FZMZJTMJSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574478579 949715691 /nfs/dbraw/zinc/71/56/91/949715691.db2.gz ZCFZXDWHHLYCEG-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574478579 949715709 /nfs/dbraw/zinc/71/57/09/949715709.db2.gz ZCFZXDWHHLYCEG-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170489 949717100 /nfs/dbraw/zinc/71/71/00/949717100.db2.gz LGPQUIUDQCCEBI-WFASDCNBSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170489 949717123 /nfs/dbraw/zinc/71/71/23/949717123.db2.gz LGPQUIUDQCCEBI-WFASDCNBSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575276462 949719529 /nfs/dbraw/zinc/71/95/29/949719529.db2.gz JFWWSSRSAKXRAH-RKDXNWHRSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575276462 949719544 /nfs/dbraw/zinc/71/95/44/949719544.db2.gz JFWWSSRSAKXRAH-RKDXNWHRSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576170535 949722762 /nfs/dbraw/zinc/72/27/62/949722762.db2.gz MBQUCDHCPCNNHF-TZMCWYRMSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576170535 949722777 /nfs/dbraw/zinc/72/27/77/949722777.db2.gz MBQUCDHCPCNNHF-TZMCWYRMSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574478817 949723292 /nfs/dbraw/zinc/72/32/92/949723292.db2.gz AWNIHSVDFSBHLX-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574478817 949723304 /nfs/dbraw/zinc/72/33/04/949723304.db2.gz AWNIHSVDFSBHLX-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)n1ccnc1 ZINC001574479077 949728455 /nfs/dbraw/zinc/72/84/55/949728455.db2.gz COURNWSPWLYRSO-GFCCVEGCSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CC(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)n1ccnc1 ZINC001574479077 949728466 /nfs/dbraw/zinc/72/84/66/949728466.db2.gz COURNWSPWLYRSO-GFCCVEGCSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276759 949729716 /nfs/dbraw/zinc/72/97/16/949729716.db2.gz LAZYDQCFHUAMTJ-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276759 949729729 /nfs/dbraw/zinc/72/97/29/949729729.db2.gz LAZYDQCFHUAMTJ-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2ccon2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881697 949730640 /nfs/dbraw/zinc/73/06/40/949730640.db2.gz ZSKIAOXAOYMZHD-CMPLNLGQSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2ccon2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881697 949730650 /nfs/dbraw/zinc/73/06/50/949730650.db2.gz ZSKIAOXAOYMZHD-CMPLNLGQSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881766 949731938 /nfs/dbraw/zinc/73/19/38/949731938.db2.gz APVDWJMZCKXBSG-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574962438 949732326 /nfs/dbraw/zinc/73/23/26/949732326.db2.gz AJBCEPWLPAGNFI-LDYMZIIASA-N -1 3 378.824 0.135 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574962438 949732336 /nfs/dbraw/zinc/73/23/36/949732336.db2.gz AJBCEPWLPAGNFI-LDYMZIIASA-N -1 3 378.824 0.135 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2c[nH]cn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881792 949734200 /nfs/dbraw/zinc/73/42/00/949734200.db2.gz AXRHSUSZOZJZCG-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574479304 949734554 /nfs/dbraw/zinc/73/45/54/949734554.db2.gz DNVJOHYRUULNNG-UWVGGRQHSA-N -1 3 391.411 0.108 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574479304 949734565 /nfs/dbraw/zinc/73/45/65/949734565.db2.gz DNVJOHYRUULNNG-UWVGGRQHSA-N -1 3 391.411 0.108 20 0 GCADHM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC(F)(F)C1 ZINC001575558366 949736128 /nfs/dbraw/zinc/73/61/28/949736128.db2.gz OWJTVLUFACYBCM-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC(F)(F)C1 ZINC001575558366 949736148 /nfs/dbraw/zinc/73/61/48/949736148.db2.gz OWJTVLUFACYBCM-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575881858 949736296 /nfs/dbraw/zinc/73/62/96/949736296.db2.gz CGFLHIFECAKECY-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575881858 949736305 /nfs/dbraw/zinc/73/63/05/949736305.db2.gz CGFLHIFECAKECY-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H](NC(=O)CCOCC(F)F)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277051 949740155 /nfs/dbraw/zinc/74/01/55/949740155.db2.gz NFMIGNXQHYWTDL-IUCAKERBSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@H](NC(=O)CCOCC(F)F)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277051 949740189 /nfs/dbraw/zinc/74/01/89/949740189.db2.gz NFMIGNXQHYWTDL-IUCAKERBSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574962806 949740764 /nfs/dbraw/zinc/74/07/64/949740764.db2.gz CMVVMKFXRSLTKU-BXKDBHETSA-N -1 3 376.396 0.010 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574962806 949740780 /nfs/dbraw/zinc/74/07/80/949740780.db2.gz CMVVMKFXRSLTKU-BXKDBHETSA-N -1 3 376.396 0.010 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)CCOC1 ZINC001575558757 949741759 /nfs/dbraw/zinc/74/17/59/949741759.db2.gz RUBWLWZVDHTWNB-CCKFTAQKSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)CCOC1 ZINC001575558757 949741768 /nfs/dbraw/zinc/74/17/68/949741768.db2.gz RUBWLWZVDHTWNB-CCKFTAQKSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574962807 949741857 /nfs/dbraw/zinc/74/18/57/949741857.db2.gz CMVVMKFXRSLTKU-JOYOIKCWSA-N -1 3 376.396 0.010 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574962807 949741866 /nfs/dbraw/zinc/74/18/66/949741866.db2.gz CMVVMKFXRSLTKU-JOYOIKCWSA-N -1 3 376.396 0.010 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170967 949742194 /nfs/dbraw/zinc/74/21/94/949742194.db2.gz OLHPMWMLEBVXEA-AAEUAGOBSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170967 949742212 /nfs/dbraw/zinc/74/22/12/949742212.db2.gz OLHPMWMLEBVXEA-AAEUAGOBSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170987 949742847 /nfs/dbraw/zinc/74/28/47/949742847.db2.gz OMKYRVAIHCQDMX-JSGCOSHPSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)CCOC1 ZINC001575558760 949743644 /nfs/dbraw/zinc/74/36/44/949743644.db2.gz RUBWLWZVDHTWNB-ZMYBRWDISA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@@]3(C)C2)CCOC1 ZINC001575558760 949743661 /nfs/dbraw/zinc/74/36/61/949743661.db2.gz RUBWLWZVDHTWNB-ZMYBRWDISA-N -1 3 383.456 0.973 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCNC(=O)C1 ZINC001575558892 949745526 /nfs/dbraw/zinc/74/55/26/949745526.db2.gz TVAOYKVUAPMFLJ-KDOFPFPSSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCNC(=O)C1 ZINC001575558892 949745544 /nfs/dbraw/zinc/74/55/44/949745544.db2.gz TVAOYKVUAPMFLJ-KDOFPFPSSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnns1 ZINC001575882102 949752302 /nfs/dbraw/zinc/75/23/02/949752302.db2.gz GDQJUTAMTVDEKP-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnns1 ZINC001575882102 949752314 /nfs/dbraw/zinc/75/23/14/949752314.db2.gz GDQJUTAMTVDEKP-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574480523 949754889 /nfs/dbraw/zinc/75/48/89/949754889.db2.gz JLGIWXFCTPIWMX-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574480523 949754903 /nfs/dbraw/zinc/75/49/03/949754903.db2.gz JLGIWXFCTPIWMX-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574480521 949755146 /nfs/dbraw/zinc/75/51/46/949755146.db2.gz JLGIWXFCTPIWMX-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574480521 949755162 /nfs/dbraw/zinc/75/51/62/949755162.db2.gz JLGIWXFCTPIWMX-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@]1(C(=O)NC2(CCO)CN(Cc3cccc(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575559367 949755678 /nfs/dbraw/zinc/75/56/78/949755678.db2.gz BSJKMSZQCIUFDQ-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@@]1(C(=O)NC2(CCO)CN(Cc3cccc(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575559367 949755693 /nfs/dbraw/zinc/75/56/93/949755693.db2.gz BSJKMSZQCIUFDQ-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574963705 949756304 /nfs/dbraw/zinc/75/63/04/949756304.db2.gz LDNUWQIKQYEYAP-QMTHXVAHSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccn(C)c1 ZINC001575882145 949759033 /nfs/dbraw/zinc/75/90/33/949759033.db2.gz GZKZABPBIOVINM-FZMZJTMJSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccn(C)c1 ZINC001575882145 949759054 /nfs/dbraw/zinc/75/90/54/949759054.db2.gz GZKZABPBIOVINM-FZMZJTMJSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H](NC(=O)CCc1ncccn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575278774 949771108 /nfs/dbraw/zinc/77/11/08/949771108.db2.gz VLMXMACLZUQIMI-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1ncccn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575278774 949771132 /nfs/dbraw/zinc/77/11/32/949771132.db2.gz VLMXMACLZUQIMI-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575559950 949771617 /nfs/dbraw/zinc/77/16/17/949771617.db2.gz ZQDLUZCOQZKLFD-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575559950 949771629 /nfs/dbraw/zinc/77/16/29/949771629.db2.gz ZQDLUZCOQZKLFD-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576171653 949774030 /nfs/dbraw/zinc/77/40/30/949774030.db2.gz QWRVNVKMXPSLMB-TZMCWYRMSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576171653 949774047 /nfs/dbraw/zinc/77/40/47/949774047.db2.gz QWRVNVKMXPSLMB-TZMCWYRMSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574964414 949776401 /nfs/dbraw/zinc/77/64/01/949776401.db2.gz WBDUCMXFXYSVHN-JOYOIKCWSA-N -1 3 392.851 0.525 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574964414 949776416 /nfs/dbraw/zinc/77/64/16/949776416.db2.gz WBDUCMXFXYSVHN-JOYOIKCWSA-N -1 3 392.851 0.525 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574481453 949780437 /nfs/dbraw/zinc/78/04/37/949780437.db2.gz PZLRFEKTOVEDSO-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574481453 949780456 /nfs/dbraw/zinc/78/04/56/949780456.db2.gz PZLRFEKTOVEDSO-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171804 949783045 /nfs/dbraw/zinc/78/30/45/949783045.db2.gz SQGCDWCEEHYHIK-BXUZGUMPSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171804 949783068 /nfs/dbraw/zinc/78/30/68/949783068.db2.gz SQGCDWCEEHYHIK-BXUZGUMPSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576171805 949783278 /nfs/dbraw/zinc/78/32/78/949783278.db2.gz SQGCDWCEEHYHIK-FZMZJTMJSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576171805 949783301 /nfs/dbraw/zinc/78/33/01/949783301.db2.gz SQGCDWCEEHYHIK-FZMZJTMJSA-N -1 3 382.432 0.662 20 0 GCADHM CC1(C(=O)NC2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575560296 949783402 /nfs/dbraw/zinc/78/34/02/949783402.db2.gz NRQVTSAPCNFFFO-UHFFFAOYSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575560296 949783419 /nfs/dbraw/zinc/78/34/19/949783419.db2.gz NRQVTSAPCNFFFO-UHFFFAOYSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576172015 949786123 /nfs/dbraw/zinc/78/61/23/949786123.db2.gz UHQUFJIZPJRONU-AAEUAGOBSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576172015 949786139 /nfs/dbraw/zinc/78/61/39/949786139.db2.gz UHQUFJIZPJRONU-AAEUAGOBSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574964838 949787818 /nfs/dbraw/zinc/78/78/18/949787818.db2.gz AMYMSAASRYFFLX-ZMZPIMSZSA-N -1 3 389.435 0.611 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574964838 949787841 /nfs/dbraw/zinc/78/78/41/949787841.db2.gz AMYMSAASRYFFLX-ZMZPIMSZSA-N -1 3 389.435 0.611 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575882761 949788558 /nfs/dbraw/zinc/78/85/58/949788558.db2.gz ACFVDLYTSQLPJP-PWSUYJOCSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575882761 949788568 /nfs/dbraw/zinc/78/85/68/949788568.db2.gz ACFVDLYTSQLPJP-PWSUYJOCSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575560371 949789087 /nfs/dbraw/zinc/78/90/87/949789087.db2.gz PBTUSLSVTPXEIX-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575560371 949789096 /nfs/dbraw/zinc/78/90/96/949789096.db2.gz PBTUSLSVTPXEIX-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574481558 949789775 /nfs/dbraw/zinc/78/97/75/949789775.db2.gz RNLUDSRRUXKQFU-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574481558 949789791 /nfs/dbraw/zinc/78/97/91/949789791.db2.gz RNLUDSRRUXKQFU-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001576172081 949790384 /nfs/dbraw/zinc/79/03/84/949790384.db2.gz UOWQIZIHVZKWBC-ZDUSSCGKSA-N -1 3 392.485 0.935 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001576172081 949790400 /nfs/dbraw/zinc/79/04/00/949790400.db2.gz UOWQIZIHVZKWBC-ZDUSSCGKSA-N -1 3 392.485 0.935 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574965189 949790361 /nfs/dbraw/zinc/79/03/61/949790361.db2.gz CRKFOIVCXDDWHI-AYVTZFPOSA-N -1 3 378.824 0.500 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574965189 949790377 /nfs/dbraw/zinc/79/03/77/949790377.db2.gz CRKFOIVCXDDWHI-AYVTZFPOSA-N -1 3 378.824 0.500 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575560527 949793618 /nfs/dbraw/zinc/79/36/18/949793618.db2.gz RFLWIETXGPEUFN-LJMKFJKQSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575560527 949793635 /nfs/dbraw/zinc/79/36/35/949793635.db2.gz RFLWIETXGPEUFN-LJMKFJKQSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574481633 949793925 /nfs/dbraw/zinc/79/39/25/949793925.db2.gz SILFGJMITUMNFE-NSHDSACASA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574481633 949793940 /nfs/dbraw/zinc/79/39/40/949793940.db2.gz SILFGJMITUMNFE-NSHDSACASA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCNC(=O)C1CC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574720541 949794763 /nfs/dbraw/zinc/79/47/63/949794763.db2.gz CBKDLLQFSLWIRM-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCNC(=O)C1CC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574720541 949794773 /nfs/dbraw/zinc/79/47/73/949794773.db2.gz CBKDLLQFSLWIRM-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575883030 949798907 /nfs/dbraw/zinc/79/89/07/949798907.db2.gz BUQPOUONEUVKHP-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575883030 949798920 /nfs/dbraw/zinc/79/89/20/949798920.db2.gz BUQPOUONEUVKHP-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H](CNC(=O)c1[nH]ncc1Br)Nc1ncccc1-c1nnn[n-]1 ZINC001574965535 949799797 /nfs/dbraw/zinc/79/97/97/949799797.db2.gz GTKLUMAZZOHKST-SSDOTTSWSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@H](CNC(=O)c1[nH]ncc1Br)Nc1ncccc1-c1nn[n-]n1 ZINC001574965535 949799809 /nfs/dbraw/zinc/79/98/09/949799809.db2.gz GTKLUMAZZOHKST-SSDOTTSWSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574965504 949800237 /nfs/dbraw/zinc/80/02/37/949800237.db2.gz GPHWJTNGHVCRSX-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574965504 949800260 /nfs/dbraw/zinc/80/02/60/949800260.db2.gz GPHWJTNGHVCRSX-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573822755 949804272 /nfs/dbraw/zinc/80/42/72/949804272.db2.gz MDKRAOZKXXSTDH-DGCLKSJQSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573822755 949804296 /nfs/dbraw/zinc/80/42/96/949804296.db2.gz MDKRAOZKXXSTDH-DGCLKSJQSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575281157 949804117 /nfs/dbraw/zinc/80/41/17/949804117.db2.gz DIGFCYBMCKAJBS-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575281157 949804145 /nfs/dbraw/zinc/80/41/45/949804145.db2.gz DIGFCYBMCKAJBS-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(Cl)no1 ZINC001575883119 949805073 /nfs/dbraw/zinc/80/50/73/949805073.db2.gz CQZATLKYHGFMDV-VXNVDRBHSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(Cl)no1 ZINC001575883119 949805097 /nfs/dbraw/zinc/80/50/97/949805097.db2.gz CQZATLKYHGFMDV-VXNVDRBHSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H](NC(=O)COCC1CC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575281426 949806292 /nfs/dbraw/zinc/80/62/92/949806292.db2.gz GBWRCYFAMFRAOW-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)COCC1CC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575281426 949806317 /nfs/dbraw/zinc/80/63/17/949806317.db2.gz GBWRCYFAMFRAOW-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281421 949806692 /nfs/dbraw/zinc/80/66/92/949806692.db2.gz FZDJNUVGXNECSP-VXGBXAGGSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281421 949806717 /nfs/dbraw/zinc/80/67/17/949806717.db2.gz FZDJNUVGXNECSP-VXGBXAGGSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574139038 949807822 /nfs/dbraw/zinc/80/78/22/949807822.db2.gz HWMLBFJXHDEBBI-DGCLKSJQSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574139038 949807844 /nfs/dbraw/zinc/80/78/44/949807844.db2.gz HWMLBFJXHDEBBI-DGCLKSJQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574721144 949808359 /nfs/dbraw/zinc/80/83/59/949808359.db2.gz JPRUOIHUVDVTNS-NSHDSACASA-N -1 3 381.462 0.345 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574721144 949808384 /nfs/dbraw/zinc/80/83/84/949808384.db2.gz JPRUOIHUVDVTNS-NSHDSACASA-N -1 3 381.462 0.345 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172557 949813072 /nfs/dbraw/zinc/81/30/72/949813072.db2.gz XDPQRQILCICEBS-GXFFZTMASA-N -1 3 383.420 0.518 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COCC(F)F ZINC001575883364 949813654 /nfs/dbraw/zinc/81/36/54/949813654.db2.gz FBRRLEUUCHPRGK-PSASIEDQSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COCC(F)F ZINC001575883364 949813681 /nfs/dbraw/zinc/81/36/81/949813681.db2.gz FBRRLEUUCHPRGK-PSASIEDQSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575561794 949815448 /nfs/dbraw/zinc/81/54/48/949815448.db2.gz CSUMYXHXHJOZLS-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575561794 949815467 /nfs/dbraw/zinc/81/54/67/949815467.db2.gz CSUMYXHXHJOZLS-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1cncn1 ZINC001573823267 949820092 /nfs/dbraw/zinc/82/00/92/949820092.db2.gz SPMIPFZITFOVTR-GFCCVEGCSA-N -1 3 388.411 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1cncn1 ZINC001573823267 949820116 /nfs/dbraw/zinc/82/01/16/949820116.db2.gz SPMIPFZITFOVTR-GFCCVEGCSA-N -1 3 388.411 0.635 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574965889 949823687 /nfs/dbraw/zinc/82/36/87/949823687.db2.gz ODVNKFRYLSUGII-QGHHPUGFSA-N -1 3 375.408 0.839 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574965889 949823705 /nfs/dbraw/zinc/82/37/05/949823705.db2.gz ODVNKFRYLSUGII-QGHHPUGFSA-N -1 3 375.408 0.839 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575562595 949824680 /nfs/dbraw/zinc/82/46/80/949824680.db2.gz HNOUNMXYALXQIH-SGTLLEGYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575562595 949824697 /nfs/dbraw/zinc/82/46/97/949824697.db2.gz HNOUNMXYALXQIH-SGTLLEGYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2c[nH]cn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575883691 949826167 /nfs/dbraw/zinc/82/61/67/949826167.db2.gz SLMJUOMVACIANI-IINYFYTJSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575562597 949827071 /nfs/dbraw/zinc/82/70/71/949827071.db2.gz HNOUNMXYALXQIH-XIKOKIGWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575562597 949827090 /nfs/dbraw/zinc/82/70/90/949827090.db2.gz HNOUNMXYALXQIH-XIKOKIGWSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1COC(=O)N1 ZINC001573823344 949826879 /nfs/dbraw/zinc/82/68/79/949826879.db2.gz VDJBHKIJBNUDID-WDEREUQCSA-N -1 3 392.395 0.452 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1COC(=O)N1 ZINC001573823344 949826898 /nfs/dbraw/zinc/82/68/98/949826898.db2.gz VDJBHKIJBNUDID-WDEREUQCSA-N -1 3 392.395 0.452 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1cnco1 ZINC001576172947 949828909 /nfs/dbraw/zinc/82/89/09/949828909.db2.gz ZTTNSUWFNAXWSO-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1cnco1 ZINC001576172947 949828931 /nfs/dbraw/zinc/82/89/31/949828931.db2.gz ZTTNSUWFNAXWSO-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1cnco1 ZINC001576172949 949829064 /nfs/dbraw/zinc/82/90/64/949829064.db2.gz ZTTNSUWFNAXWSO-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1cnco1 ZINC001576172949 949829073 /nfs/dbraw/zinc/82/90/73/949829073.db2.gz ZTTNSUWFNAXWSO-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cn(C)cn1 ZINC001575883911 949833983 /nfs/dbraw/zinc/83/39/83/949833983.db2.gz HJLCODFICHUPCC-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cn(C)cn1 ZINC001575883911 949834007 /nfs/dbraw/zinc/83/40/07/949834007.db2.gz HJLCODFICHUPCC-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001575282435 949834441 /nfs/dbraw/zinc/83/44/41/949834441.db2.gz BMWXYPFZMVBFQF-MNOVXSKESA-N -1 3 390.423 0.726 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001575282435 949834464 /nfs/dbraw/zinc/83/44/64/949834464.db2.gz BMWXYPFZMVBFQF-MNOVXSKESA-N -1 3 390.423 0.726 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CCCC1=O ZINC001573823808 949837314 /nfs/dbraw/zinc/83/73/14/949837314.db2.gz ZAVDGWCSTHWKLB-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CCCC1=O ZINC001573823808 949837340 /nfs/dbraw/zinc/83/73/40/949837340.db2.gz ZAVDGWCSTHWKLB-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CN(C)C(=O)CCCn1cncn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574722703 949838324 /nfs/dbraw/zinc/83/83/24/949838324.db2.gz VQMAJWALFZBJTE-LLVKDONJSA-N -1 3 388.411 0.732 20 0 GCADHM C[C@H](CN(C)C(=O)CCCn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574722703 949838340 /nfs/dbraw/zinc/83/83/40/949838340.db2.gz VQMAJWALFZBJTE-LLVKDONJSA-N -1 3 388.411 0.732 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1ccnc1 ZINC001574483741 949839102 /nfs/dbraw/zinc/83/91/02/949839102.db2.gz KPUHPSLLNQRDDH-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](CN(C)C(=O)CCS(C)(=O)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574722712 949839529 /nfs/dbraw/zinc/83/95/29/949839529.db2.gz VUASCHBNZSFTRT-SNVBAGLBSA-N -1 3 384.437 0.699 20 0 GCADHM C[C@H](CN(C)C(=O)CCS(C)(=O)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574722712 949839553 /nfs/dbraw/zinc/83/95/53/949839553.db2.gz VUASCHBNZSFTRT-SNVBAGLBSA-N -1 3 384.437 0.699 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)c1cnn(C)c1 ZINC001574483673 949840131 /nfs/dbraw/zinc/84/01/31/949840131.db2.gz HXQLIBAPEDKYJD-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)c1cnn(C)c1 ZINC001574483673 949840153 /nfs/dbraw/zinc/84/01/53/949840153.db2.gz HXQLIBAPEDKYJD-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCn1cncn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574722704 949840403 /nfs/dbraw/zinc/84/04/03/949840403.db2.gz VQMAJWALFZBJTE-NSHDSACASA-N -1 3 388.411 0.732 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574722704 949840420 /nfs/dbraw/zinc/84/04/20/949840420.db2.gz VQMAJWALFZBJTE-NSHDSACASA-N -1 3 388.411 0.732 20 0 GCADHM C[C@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575282707 949844018 /nfs/dbraw/zinc/84/40/18/949844018.db2.gz LUUCVUHBRFROSH-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](NC(=O)COc1ccccc1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575282707 949844031 /nfs/dbraw/zinc/84/40/31/949844031.db2.gz LUUCVUHBRFROSH-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCCOC1 ZINC001575563814 949849201 /nfs/dbraw/zinc/84/92/01/949849201.db2.gz MDXBHLSICUCWCV-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCCOC1 ZINC001575563814 949849223 /nfs/dbraw/zinc/84/92/23/949849223.db2.gz MDXBHLSICUCWCV-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575884528 949849484 /nfs/dbraw/zinc/84/94/84/949849484.db2.gz URRQGBMBRHELTN-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575884528 949849504 /nfs/dbraw/zinc/84/95/04/949849504.db2.gz URRQGBMBRHELTN-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)C1 ZINC001573824577 949850553 /nfs/dbraw/zinc/85/05/53/949850553.db2.gz HHTQXWHHVWMHHQ-BBNOBNGHSA-N -1 3 385.472 1.000 20 0 GCADHM CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)C1 ZINC001573824577 949850576 /nfs/dbraw/zinc/85/05/76/949850576.db2.gz HHTQXWHHVWMHHQ-BBNOBNGHSA-N -1 3 385.472 1.000 20 0 GCADHM C[C@@H](NC(=O)CO[C@H]1CCOC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575283057 949855682 /nfs/dbraw/zinc/85/56/82/949855682.db2.gz NBIPNNAJSZXXOY-YPMHNXCESA-N -1 3 392.485 0.670 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575884682 949856123 /nfs/dbraw/zinc/85/61/23/949856123.db2.gz VJVWHKHFWMICKP-MFKMUULPSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575884682 949856147 /nfs/dbraw/zinc/85/61/47/949856147.db2.gz VJVWHKHFWMICKP-MFKMUULPSA-N -1 3 386.395 0.166 20 0 GCADHM CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573824976 949856621 /nfs/dbraw/zinc/85/66/21/949856621.db2.gz JRDRQOYATMPOLY-WCQYABFASA-N -1 3 387.437 0.442 20 0 GCADHM CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573824976 949856643 /nfs/dbraw/zinc/85/66/43/949856643.db2.gz JRDRQOYATMPOLY-WCQYABFASA-N -1 3 387.437 0.442 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ncc[nH]2)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576177671 949857434 /nfs/dbraw/zinc/85/74/34/949857434.db2.gz ACYQXUWPCCGJLB-MFKMUULPSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ncc[nH]2)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576177671 949857450 /nfs/dbraw/zinc/85/74/50/949857450.db2.gz ACYQXUWPCCGJLB-MFKMUULPSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1ccnc1 ZINC001574484118 949858583 /nfs/dbraw/zinc/85/85/83/949858583.db2.gz VUHDSQOGTSHYJI-VNHYZAJKSA-N -1 3 394.443 0.542 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575884997 949858870 /nfs/dbraw/zinc/85/88/70/949858870.db2.gz JTFQOFRDGTYNDY-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575884997 949858893 /nfs/dbraw/zinc/85/88/93/949858893.db2.gz JTFQOFRDGTYNDY-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574723970 949860258 /nfs/dbraw/zinc/86/02/58/949860258.db2.gz DBXIADVEOVQIAJ-GFCCVEGCSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574723970 949860280 /nfs/dbraw/zinc/86/02/80/949860280.db2.gz DBXIADVEOVQIAJ-GFCCVEGCSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@H](CC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)NC(N)=O ZINC001574484086 949860690 /nfs/dbraw/zinc/86/06/90/949860690.db2.gz TYCHLIIMBGYUMZ-SNVBAGLBSA-N -1 3 378.462 0.019 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575564681 949863120 /nfs/dbraw/zinc/86/31/20/949863120.db2.gz RQXZWBGQFIQLRA-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575564681 949863141 /nfs/dbraw/zinc/86/31/41/949863141.db2.gz RQXZWBGQFIQLRA-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575564683 949863623 /nfs/dbraw/zinc/86/36/23/949863623.db2.gz RQXZWBGQFIQLRA-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575564683 949863647 /nfs/dbraw/zinc/86/36/47/949863647.db2.gz RQXZWBGQFIQLRA-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576177962 949868927 /nfs/dbraw/zinc/86/89/27/949868927.db2.gz AENJELLPSVXJKX-MFKMUULPSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576177962 949868950 /nfs/dbraw/zinc/86/89/50/949868950.db2.gz AENJELLPSVXJKX-MFKMUULPSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576177940 949869586 /nfs/dbraw/zinc/86/95/86/949869586.db2.gz ABBDEJFVCKVDLZ-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576177940 949869608 /nfs/dbraw/zinc/86/96/08/949869608.db2.gz ABBDEJFVCKVDLZ-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574724338 949871813 /nfs/dbraw/zinc/87/18/13/949871813.db2.gz HDZJBURPDBCAII-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cscn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574724338 949871845 /nfs/dbraw/zinc/87/18/45/949871845.db2.gz HDZJBURPDBCAII-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1ccnc1 ZINC001574484212 949871638 /nfs/dbraw/zinc/87/16/38/949871638.db2.gz FNKCAFITPRRWIV-ZDUSSCGKSA-N -1 3 382.432 0.543 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001574967335 949872085 /nfs/dbraw/zinc/87/20/85/949872085.db2.gz HHWXBMIPAVRLSV-YYZJVYOOSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001574967335 949872112 /nfs/dbraw/zinc/87/21/12/949872112.db2.gz HHWXBMIPAVRLSV-YYZJVYOOSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575885656 949873217 /nfs/dbraw/zinc/87/32/17/949873217.db2.gz KWBBOUJOGZEPJZ-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575885656 949873234 /nfs/dbraw/zinc/87/32/34/949873234.db2.gz KWBBOUJOGZEPJZ-CABZTGNLSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H](CC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1)NC(N)=O ZINC001574484330 949874439 /nfs/dbraw/zinc/87/44/39/949874439.db2.gz ZKCVCMMPEDOLEH-NSHDSACASA-N -1 3 390.423 0.097 20 0 GCADHM C[C@@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1)NC(N)=O ZINC001574484330 949874481 /nfs/dbraw/zinc/87/44/81/949874481.db2.gz ZKCVCMMPEDOLEH-NSHDSACASA-N -1 3 390.423 0.097 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574484434 949876022 /nfs/dbraw/zinc/87/60/22/949876022.db2.gz GJWCNFOJMWHIBT-OLZOCXBDSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574484434 949876044 /nfs/dbraw/zinc/87/60/44/949876044.db2.gz GJWCNFOJMWHIBT-OLZOCXBDSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)C1(F)CCOCC1 ZINC001574967622 949876551 /nfs/dbraw/zinc/87/65/51/949876551.db2.gz IHLKAUVRYWOEGS-JTQLQIEISA-N -1 3 379.396 0.196 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)C1(F)CCOCC1 ZINC001574967622 949876576 /nfs/dbraw/zinc/87/65/76/949876576.db2.gz IHLKAUVRYWOEGS-JTQLQIEISA-N -1 3 379.396 0.196 20 0 GCADHM C[C@@H](CC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1)NC(N)=O ZINC001574484290 949877111 /nfs/dbraw/zinc/87/71/11/949877111.db2.gz XYORQQINBWNYHG-NSHDSACASA-N -1 3 390.423 0.097 20 0 GCADHM C[C@@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1)NC(N)=O ZINC001574484290 949877138 /nfs/dbraw/zinc/87/71/38/949877138.db2.gz XYORQQINBWNYHG-NSHDSACASA-N -1 3 390.423 0.097 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)c1cnn(C)c1 ZINC001574484333 949877189 /nfs/dbraw/zinc/87/71/89/949877189.db2.gz ZQRLDDPBSYHTGS-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574724675 949877368 /nfs/dbraw/zinc/87/73/68/949877368.db2.gz IXXJBCHBIFMXOC-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574724675 949877393 /nfs/dbraw/zinc/87/73/93/949877393.db2.gz IXXJBCHBIFMXOC-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)c1cnn(C)c1 ZINC001574484333 949877208 /nfs/dbraw/zinc/87/72/08/949877208.db2.gz ZQRLDDPBSYHTGS-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575283690 949878676 /nfs/dbraw/zinc/87/86/76/949878676.db2.gz GSEWZGURYDLEPL-IUCAKERBSA-N -1 3 391.827 0.297 20 0 GCADHM C[C@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575283690 949878698 /nfs/dbraw/zinc/87/86/98/949878698.db2.gz GSEWZGURYDLEPL-IUCAKERBSA-N -1 3 391.827 0.297 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573825536 949882957 /nfs/dbraw/zinc/88/29/57/949882957.db2.gz ZTTNGXXJKOVFIX-KBPBESRZSA-N -1 3 387.444 0.850 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573825536 949882975 /nfs/dbraw/zinc/88/29/75/949882975.db2.gz ZTTNGXXJKOVFIX-KBPBESRZSA-N -1 3 387.444 0.850 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575886314 949883054 /nfs/dbraw/zinc/88/30/54/949883054.db2.gz XVJRDQWDJXNPHA-AAEUAGOBSA-N -1 3 382.432 0.106 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574967926 949883325 /nfs/dbraw/zinc/88/33/25/949883325.db2.gz JZFOIVKPOQDRIO-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574967926 949883348 /nfs/dbraw/zinc/88/33/48/949883348.db2.gz JZFOIVKPOQDRIO-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM CC1CCN(C(=O)C(=O)NC/C=C\CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001576178239 949884679 /nfs/dbraw/zinc/88/46/79/949884679.db2.gz GVPQHLOZBVAHAM-IHWYPQMZSA-N -1 3 384.444 0.605 20 0 GCADHM CC1CCN(C(=O)C(=O)NC/C=C\CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001576178239 949884707 /nfs/dbraw/zinc/88/47/07/949884707.db2.gz GVPQHLOZBVAHAM-IHWYPQMZSA-N -1 3 384.444 0.605 20 0 GCADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575283742 949886652 /nfs/dbraw/zinc/88/66/52/949886652.db2.gz HHRAENBYOULSFJ-NXEZZACHSA-N -1 3 390.423 0.574 20 0 GCADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575283742 949886672 /nfs/dbraw/zinc/88/66/72/949886672.db2.gz HHRAENBYOULSFJ-NXEZZACHSA-N -1 3 390.423 0.574 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1CCNC(=O)C1CC1 ZINC001575887120 949892095 /nfs/dbraw/zinc/89/20/95/949892095.db2.gz NWWRURQQLGAGPY-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CCNC(=O)C1CC1 ZINC001575887120 949892115 /nfs/dbraw/zinc/89/21/15/949892115.db2.gz NWWRURQQLGAGPY-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574725273 949895092 /nfs/dbraw/zinc/89/50/92/949895092.db2.gz QXNKCGJJLCARKK-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574725273 949895117 /nfs/dbraw/zinc/89/51/17/949895117.db2.gz QXNKCGJJLCARKK-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575284232 949896212 /nfs/dbraw/zinc/89/62/12/949896212.db2.gz IQQKGVUCPRYFFE-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284232 949896229 /nfs/dbraw/zinc/89/62/29/949896229.db2.gz IQQKGVUCPRYFFE-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001574968407 949896109 /nfs/dbraw/zinc/89/61/09/949896109.db2.gz PAHOZYVSFNLRIB-QGZVFWFLSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001574968407 949896125 /nfs/dbraw/zinc/89/61/25/949896125.db2.gz PAHOZYVSFNLRIB-QGZVFWFLSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575887191 949897431 /nfs/dbraw/zinc/89/74/31/949897431.db2.gz YLUKJWXFKVINHE-GXSJLCMTSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575887191 949897447 /nfs/dbraw/zinc/89/74/47/949897447.db2.gz YLUKJWXFKVINHE-GXSJLCMTSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575284177 949898995 /nfs/dbraw/zinc/89/89/95/949898995.db2.gz HZCYGSZZTJEFFU-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575887296 949899200 /nfs/dbraw/zinc/89/92/00/949899200.db2.gz YSSWZVVQGRNSLI-BXKDBHETSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575887296 949899227 /nfs/dbraw/zinc/89/92/27/949899227.db2.gz YSSWZVVQGRNSLI-BXKDBHETSA-N -1 3 386.441 0.613 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOCC1 ZINC001575568641 949899847 /nfs/dbraw/zinc/89/98/47/949899847.db2.gz BGZJYODDEKYYLZ-GFCCVEGCSA-N -1 3 375.408 0.912 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOCC1 ZINC001575568641 949899868 /nfs/dbraw/zinc/89/98/68/949899868.db2.gz BGZJYODDEKYYLZ-GFCCVEGCSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576178917 949902725 /nfs/dbraw/zinc/90/27/25/949902725.db2.gz DDWKKFUTEIVEQJ-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576178917 949902742 /nfs/dbraw/zinc/90/27/42/949902742.db2.gz DDWKKFUTEIVEQJ-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575568926 949903885 /nfs/dbraw/zinc/90/38/85/949903885.db2.gz DLYJDTGYYSKBHA-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575568926 949903900 /nfs/dbraw/zinc/90/39/00/949903900.db2.gz DLYJDTGYYSKBHA-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576179063 949907515 /nfs/dbraw/zinc/90/75/15/949907515.db2.gz JVKIDRRMQRGJEA-GXFFZTMASA-N -1 3 383.420 0.138 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576179063 949907533 /nfs/dbraw/zinc/90/75/33/949907533.db2.gz JVKIDRRMQRGJEA-GXFFZTMASA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001574968753 949907852 /nfs/dbraw/zinc/90/78/52/949907852.db2.gz SBPFZFXXNVGUON-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001574968753 949907872 /nfs/dbraw/zinc/90/78/72/949907872.db2.gz SBPFZFXXNVGUON-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574725729 949910113 /nfs/dbraw/zinc/91/01/13/949910113.db2.gz CBKOTWVEAYMVQW-LBPRGKRZSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574725729 949910130 /nfs/dbraw/zinc/91/01/30/949910130.db2.gz CBKOTWVEAYMVQW-LBPRGKRZSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574484865 949910328 /nfs/dbraw/zinc/91/03/28/949910328.db2.gz QHXUCSAKURKZLN-CHWSQXEVSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574484865 949910347 /nfs/dbraw/zinc/91/03/47/949910347.db2.gz QHXUCSAKURKZLN-CHWSQXEVSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575887751 949910383 /nfs/dbraw/zinc/91/03/83/949910383.db2.gz ZZOOSUKYNPZVQJ-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575887751 949910392 /nfs/dbraw/zinc/91/03/92/949910392.db2.gz ZZOOSUKYNPZVQJ-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574968806 949911982 /nfs/dbraw/zinc/91/19/82/949911982.db2.gz SQVXSOFTVNZTML-NSHDSACASA-N -1 3 381.444 0.962 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484878 949912039 /nfs/dbraw/zinc/91/20/39/949912039.db2.gz QNERKLVMBFNCFK-DGCLKSJQSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484878 949912054 /nfs/dbraw/zinc/91/20/54/949912054.db2.gz QNERKLVMBFNCFK-DGCLKSJQSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574968806 949911998 /nfs/dbraw/zinc/91/19/98/949911998.db2.gz SQVXSOFTVNZTML-NSHDSACASA-N -1 3 381.444 0.962 20 0 GCADHM C[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)C(=O)OCc1ccccc1 ZINC001575284671 949912239 /nfs/dbraw/zinc/91/22/39/949912239.db2.gz VGYGNKZFOKHELZ-GFCCVEGCSA-N -1 3 381.396 0.922 20 0 GCADHM C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)C(=O)OCc1ccccc1 ZINC001575284671 949912247 /nfs/dbraw/zinc/91/22/47/949912247.db2.gz VGYGNKZFOKHELZ-GFCCVEGCSA-N -1 3 381.396 0.922 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576179513 949915420 /nfs/dbraw/zinc/91/54/20/949915420.db2.gz AGBZAFMPYRWCEJ-VXGBXAGGSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575284717 949917546 /nfs/dbraw/zinc/91/75/46/949917546.db2.gz WBACLOJNKLGMKW-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575284717 949917556 /nfs/dbraw/zinc/91/75/56/949917556.db2.gz WBACLOJNKLGMKW-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(Cl)c[nH]1 ZINC001574968888 949918021 /nfs/dbraw/zinc/91/80/21/949918021.db2.gz UYDDXNUYTXWDNY-QMMMGPOBSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(Cl)c[nH]1 ZINC001574968888 949918040 /nfs/dbraw/zinc/91/80/40/949918040.db2.gz UYDDXNUYTXWDNY-QMMMGPOBSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cnc(Cl)n1C ZINC001574968893 949919669 /nfs/dbraw/zinc/91/96/69/949919669.db2.gz VEEOXZYYDHQENG-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cnc(Cl)n1C ZINC001574968893 949919683 /nfs/dbraw/zinc/91/96/83/949919683.db2.gz VEEOXZYYDHQENG-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001576179666 949921752 /nfs/dbraw/zinc/92/17/52/949921752.db2.gz BTULJIWVWBTOFK-CQSZACIVSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575284876 949923029 /nfs/dbraw/zinc/92/30/29/949923029.db2.gz KORCYBANLLQCEQ-RYUDHWBXSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575284876 949923045 /nfs/dbraw/zinc/92/30/45/949923045.db2.gz KORCYBANLLQCEQ-RYUDHWBXSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)COCC1CC1)C1CC1 ZINC001574968991 949923360 /nfs/dbraw/zinc/92/33/60/949923360.db2.gz XLMNHRZXXJEKOI-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)COCC1CC1)C1CC1 ZINC001574968991 949923378 /nfs/dbraw/zinc/92/33/78/949923378.db2.gz XLMNHRZXXJEKOI-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001574968985 949923628 /nfs/dbraw/zinc/92/36/28/949923628.db2.gz XJSRVEAJLWTQNH-KBXCAEBGSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CCCCO1)C1CC1 ZINC001574968985 949923648 /nfs/dbraw/zinc/92/36/48/949923648.db2.gz XJSRVEAJLWTQNH-KBXCAEBGSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CC(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)NC(N)=O ZINC001574485287 949925804 /nfs/dbraw/zinc/92/58/04/949925804.db2.gz WQDXXJAYRZXFJA-NSHDSACASA-N -1 3 392.489 0.409 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574969008 949925888 /nfs/dbraw/zinc/92/58/88/949925888.db2.gz XUGDDAHOSMUFFA-ZBINZKHDSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574969008 949925905 /nfs/dbraw/zinc/92/59/05/949925905.db2.gz XUGDDAHOSMUFFA-ZBINZKHDSA-N -1 3 387.444 0.492 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]2O)CC1 ZINC001575569743 949927232 /nfs/dbraw/zinc/92/72/32/949927232.db2.gz NKJFDJQEPCDOIT-VXGBXAGGSA-N -1 3 377.836 0.771 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]2O)CC1 ZINC001575569743 949927250 /nfs/dbraw/zinc/92/72/50/949927250.db2.gz NKJFDJQEPCDOIT-VXGBXAGGSA-N -1 3 377.836 0.771 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)CCC(=O)NC1 ZINC001575569802 949928004 /nfs/dbraw/zinc/92/80/04/949928004.db2.gz ODTKROWCFAJLDX-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCC(=O)NC1 ZINC001575569802 949928020 /nfs/dbraw/zinc/92/80/20/949928020.db2.gz ODTKROWCFAJLDX-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)CCNC1=O ZINC001575569747 949928689 /nfs/dbraw/zinc/92/86/89/949928689.db2.gz NLGJAJKNAILLDW-QGZVFWFLSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)CCNC1=O ZINC001575569747 949928704 /nfs/dbraw/zinc/92/87/04/949928704.db2.gz NLGJAJKNAILLDW-QGZVFWFLSA-N -1 3 388.407 0.012 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574726258 949929635 /nfs/dbraw/zinc/92/96/35/949929635.db2.gz HLMPYQFRGRPHDB-LLVKDONJSA-N -1 3 381.462 0.344 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574726258 949929642 /nfs/dbraw/zinc/92/96/42/949929642.db2.gz HLMPYQFRGRPHDB-LLVKDONJSA-N -1 3 381.462 0.344 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001574969079 949930593 /nfs/dbraw/zinc/93/05/93/949930593.db2.gz ZEEPUDGUVPQPLB-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001574969079 949930613 /nfs/dbraw/zinc/93/06/13/949930613.db2.gz ZEEPUDGUVPQPLB-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575285037 949932107 /nfs/dbraw/zinc/93/21/07/949932107.db2.gz LPNHMWBRTNATFK-NWDGAFQWSA-N -1 3 377.424 0.643 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575285037 949932125 /nfs/dbraw/zinc/93/21/25/949932125.db2.gz LPNHMWBRTNATFK-NWDGAFQWSA-N -1 3 377.424 0.643 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)n1ccnc1 ZINC001574487652 949932354 /nfs/dbraw/zinc/93/23/54/949932354.db2.gz AQLOFEUDLKWUFW-QEJZJMRPSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)n1ccnc1 ZINC001574487652 949932371 /nfs/dbraw/zinc/93/23/71/949932371.db2.gz AQLOFEUDLKWUFW-QEJZJMRPSA-N -1 3 379.428 0.899 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575570141 949933360 /nfs/dbraw/zinc/93/33/60/949933360.db2.gz PVAVBLYXVFVYTJ-ACJLOTCBSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575570141 949933386 /nfs/dbraw/zinc/93/33/86/949933386.db2.gz PVAVBLYXVFVYTJ-ACJLOTCBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)CCNC(=O)C1 ZINC001575570101 949933724 /nfs/dbraw/zinc/93/37/24/949933724.db2.gz PETVLJBLRUEJCE-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)CCNC(=O)C1 ZINC001575570101 949933741 /nfs/dbraw/zinc/93/37/41/949933741.db2.gz PETVLJBLRUEJCE-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccn(C)c1 ZINC001575889788 949936981 /nfs/dbraw/zinc/93/69/81/949936981.db2.gz TXMYGVZEIAOGII-SMDDNHRTSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccn(C)c1 ZINC001575889788 949936988 /nfs/dbraw/zinc/93/69/88/949936988.db2.gz TXMYGVZEIAOGII-SMDDNHRTSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001574487737 949938990 /nfs/dbraw/zinc/93/89/90/949938990.db2.gz BMIWEJYIOWMHJO-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001574487737 949939007 /nfs/dbraw/zinc/93/90/07/949939007.db2.gz BMIWEJYIOWMHJO-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574726478 949939437 /nfs/dbraw/zinc/93/94/37/949939437.db2.gz IWJFNBAPQLLFKW-ZDUSSCGKSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574726478 949939453 /nfs/dbraw/zinc/93/94/53/949939453.db2.gz IWJFNBAPQLLFKW-ZDUSSCGKSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574488102 949940810 /nfs/dbraw/zinc/94/08/10/949940810.db2.gz DKGWIPAURORJHA-DYZYQPBXSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CC(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574488102 949940829 /nfs/dbraw/zinc/94/08/29/949940829.db2.gz DKGWIPAURORJHA-DYZYQPBXSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CN1CCCC1=O ZINC001575285268 949941822 /nfs/dbraw/zinc/94/18/22/949941822.db2.gz MCQGROULFMWNCY-VHSXEESVSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CN1CCCC1=O ZINC001575285268 949941844 /nfs/dbraw/zinc/94/18/44/949941844.db2.gz MCQGROULFMWNCY-VHSXEESVSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cncn1C ZINC001575890140 949942179 /nfs/dbraw/zinc/94/21/79/949942179.db2.gz VOBJPPMKAFTHKQ-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cncn1C ZINC001575890140 949942198 /nfs/dbraw/zinc/94/21/98/949942198.db2.gz VOBJPPMKAFTHKQ-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001574972931 949944732 /nfs/dbraw/zinc/94/47/32/949944732.db2.gz DYNLVEJUQADXMO-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001574972931 949944751 /nfs/dbraw/zinc/94/47/51/949944751.db2.gz DYNLVEJUQADXMO-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285479 949945706 /nfs/dbraw/zinc/94/57/06/949945706.db2.gz NSEFOIDRUUFBAR-CHWSQXEVSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285479 949945727 /nfs/dbraw/zinc/94/57/27/949945727.db2.gz NSEFOIDRUUFBAR-CHWSQXEVSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180203 949945767 /nfs/dbraw/zinc/94/57/67/949945767.db2.gz NLYADKYROBHTBU-ZYHUDNBSSA-N -1 3 383.420 0.518 20 0 GCADHM C[C@@H](CN(C)C(=O)COC1CCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574726918 949948286 /nfs/dbraw/zinc/94/82/86/949948286.db2.gz MKSFYJJRMLFHLR-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)COC1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574726918 949948300 /nfs/dbraw/zinc/94/83/00/949948300.db2.gz MKSFYJJRMLFHLR-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CCNC(=O)C1 ZINC001575570918 949948679 /nfs/dbraw/zinc/94/86/79/949948679.db2.gz WNSOAZMSSXYQLM-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCNC(=O)C1 ZINC001575570918 949948695 /nfs/dbraw/zinc/94/86/95/949948695.db2.gz WNSOAZMSSXYQLM-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001575890330 949949429 /nfs/dbraw/zinc/94/94/29/949949429.db2.gz WFESFVFUMBUNNB-OCCSQVGLSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001575890330 949949451 /nfs/dbraw/zinc/94/94/51/949949451.db2.gz WFESFVFUMBUNNB-OCCSQVGLSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285507 949950234 /nfs/dbraw/zinc/95/02/34/949950234.db2.gz NXTASAICUAYSNJ-GHMZBOCLSA-N -1 3 378.412 0.038 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285507 949950254 /nfs/dbraw/zinc/95/02/54/949950254.db2.gz NXTASAICUAYSNJ-GHMZBOCLSA-N -1 3 378.412 0.038 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1cnoc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147745 949951123 /nfs/dbraw/zinc/95/11/23/949951123.db2.gz BJWVRGWEZXFUHH-LBPRGKRZSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1cnoc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147745 949951142 /nfs/dbraw/zinc/95/11/42/949951142.db2.gz BJWVRGWEZXFUHH-LBPRGKRZSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1c[nH]cn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147703 949952002 /nfs/dbraw/zinc/95/20/02/949952002.db2.gz ALQXTCZPWASCQK-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](CNc2ncccc2-c2nnn[n-]2)[C@H](C)C1)NC(N)=O ZINC001574488844 949952382 /nfs/dbraw/zinc/95/23/82/949952382.db2.gz GQODKLQPBGCWKN-IJLUTSLNSA-N -1 3 387.448 0.215 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001574973061 949952315 /nfs/dbraw/zinc/95/23/15/949952315.db2.gz GIXWZIOWYFLMHL-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@](C)(O)C1CC1 ZINC001574973061 949952329 /nfs/dbraw/zinc/95/23/29/949952329.db2.gz GIXWZIOWYFLMHL-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](CNc2ncccc2-c2nn[n-]n2)[C@H](C)C1)NC(N)=O ZINC001574488844 949952403 /nfs/dbraw/zinc/95/24/03/949952403.db2.gz GQODKLQPBGCWKN-IJLUTSLNSA-N -1 3 387.448 0.215 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](O)C(C)C ZINC001574147810 949953961 /nfs/dbraw/zinc/95/39/61/949953961.db2.gz CVBNDZPHXFZKOI-GXTWGEPZSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](O)C(C)C ZINC001574147810 949953985 /nfs/dbraw/zinc/95/39/85/949953985.db2.gz CVBNDZPHXFZKOI-GXTWGEPZSA-N -1 3 377.449 0.472 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574488882 949954448 /nfs/dbraw/zinc/95/44/48/949954448.db2.gz GZUPBYKSJIPJQX-DCAQKATOSA-N -1 3 390.473 0.160 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574488882 949954474 /nfs/dbraw/zinc/95/44/74/949954474.db2.gz GZUPBYKSJIPJQX-DCAQKATOSA-N -1 3 390.473 0.160 20 0 GCADHM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285575 949954343 /nfs/dbraw/zinc/95/43/43/949954343.db2.gz OYYGVRIBJUTKIV-QWHCGFSZSA-N -1 3 382.428 0.819 20 0 GCADHM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285575 949954365 /nfs/dbraw/zinc/95/43/65/949954365.db2.gz OYYGVRIBJUTKIV-QWHCGFSZSA-N -1 3 382.428 0.819 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575890390 949954411 /nfs/dbraw/zinc/95/44/11/949954411.db2.gz XEZJXAXFFTVUQI-ZYHUDNBSSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575890390 949954431 /nfs/dbraw/zinc/95/44/31/949954431.db2.gz XEZJXAXFFTVUQI-ZYHUDNBSSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574489321 949957374 /nfs/dbraw/zinc/95/73/74/949957374.db2.gz IKFGBQFCDUNLKR-MNOVXSKESA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574489321 949957392 /nfs/dbraw/zinc/95/73/92/949957392.db2.gz IKFGBQFCDUNLKR-MNOVXSKESA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575890608 949957964 /nfs/dbraw/zinc/95/79/64/949957964.db2.gz YQGYVCBNTVKYNZ-VXNVDRBHSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575890608 949957978 /nfs/dbraw/zinc/95/79/78/949957978.db2.gz YQGYVCBNTVKYNZ-VXNVDRBHSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)Cc1ccc(=O)[nH]c1 ZINC001574973591 949958560 /nfs/dbraw/zinc/95/85/60/949958560.db2.gz INFSXLHCYROZDY-JTQLQIEISA-N -1 3 384.400 0.115 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)Cc1ccc(=O)[nH]c1 ZINC001574973591 949958581 /nfs/dbraw/zinc/95/85/81/949958581.db2.gz INFSXLHCYROZDY-JTQLQIEISA-N -1 3 384.400 0.115 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1ccon1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147911 949959415 /nfs/dbraw/zinc/95/94/15/949959415.db2.gz GFTBZLWUTGWODR-LBPRGKRZSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1ccon1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147911 949959432 /nfs/dbraw/zinc/95/94/32/949959432.db2.gz GFTBZLWUTGWODR-LBPRGKRZSA-N -1 3 386.416 0.686 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576180561 949959820 /nfs/dbraw/zinc/95/98/20/949959820.db2.gz FDOMKQSMLHMXRN-OLZOCXBDSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576180561 949959840 /nfs/dbraw/zinc/95/98/40/949959840.db2.gz FDOMKQSMLHMXRN-OLZOCXBDSA-N -1 3 386.460 0.814 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cncnc1 ZINC001574147884 949960255 /nfs/dbraw/zinc/96/02/55/949960255.db2.gz FSPPJUQOXRVUTI-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cncnc1 ZINC001574147884 949960278 /nfs/dbraw/zinc/96/02/78/949960278.db2.gz FSPPJUQOXRVUTI-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575285974 949961764 /nfs/dbraw/zinc/96/17/64/949961764.db2.gz RYJORZLIDAONAF-LBPRGKRZSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575285974 949961779 /nfs/dbraw/zinc/96/17/79/949961779.db2.gz RYJORZLIDAONAF-LBPRGKRZSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)CCCOC1 ZINC001575571995 949962329 /nfs/dbraw/zinc/96/23/29/949962329.db2.gz CCDFNNVBTPOHSP-PIGZYNQJSA-N -1 3 378.408 0.712 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)CCCOC1 ZINC001575571995 949962346 /nfs/dbraw/zinc/96/23/46/949962346.db2.gz CCDFNNVBTPOHSP-PIGZYNQJSA-N -1 3 378.408 0.712 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285866 949963888 /nfs/dbraw/zinc/96/38/88/949963888.db2.gz RNTGUCHGFOJNGI-MNOVXSKESA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285866 949963905 /nfs/dbraw/zinc/96/39/05/949963905.db2.gz RNTGUCHGFOJNGI-MNOVXSKESA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)CC1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576180627 949965778 /nfs/dbraw/zinc/96/57/78/949965778.db2.gz PHMTUYOQMULNDK-LBPRGKRZSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)CC1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576180627 949965797 /nfs/dbraw/zinc/96/57/97/949965797.db2.gz PHMTUYOQMULNDK-LBPRGKRZSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575286045 949970175 /nfs/dbraw/zinc/97/01/75/949970175.db2.gz SOGIFWNSKBUFMU-SWHYSGLUSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575286045 949970194 /nfs/dbraw/zinc/97/01/94/949970194.db2.gz SOGIFWNSKBUFMU-SWHYSGLUSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)c1cocn1 ZINC001576180825 949973037 /nfs/dbraw/zinc/97/30/37/949973037.db2.gz JKTVVQLIVLHKAI-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1cocn1 ZINC001576180825 949973050 /nfs/dbraw/zinc/97/30/50/949973050.db2.gz JKTVVQLIVLHKAI-HZMBPMFUSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C)NC(N)=O ZINC001574489955 949973033 /nfs/dbraw/zinc/97/30/33/949973033.db2.gz LZQRRTHVJBWFEC-ZYHUDNBSSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C)NC(N)=O ZINC001574489955 949973044 /nfs/dbraw/zinc/97/30/44/949973044.db2.gz LZQRRTHVJBWFEC-ZYHUDNBSSA-N -1 3 389.464 0.651 20 0 GCADHM CC1(C(=O)NC[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC001575572323 949973035 /nfs/dbraw/zinc/97/30/35/949973035.db2.gz FXSOINGBIMRNQX-LLVKDONJSA-N -1 3 379.396 0.107 20 0 GCADHM CC1(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC001575572323 949973049 /nfs/dbraw/zinc/97/30/49/949973049.db2.gz FXSOINGBIMRNQX-LLVKDONJSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@@H](NC(=O)CCn1cnccc1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575286209 949974041 /nfs/dbraw/zinc/97/40/41/949974041.db2.gz URSNCIVPXFLHMW-VXGBXAGGSA-N -1 3 383.416 0.214 20 0 GCADHM C[C@@H](NC(=O)CCn1cnccc1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575286209 949974057 /nfs/dbraw/zinc/97/40/57/949974057.db2.gz URSNCIVPXFLHMW-VXGBXAGGSA-N -1 3 383.416 0.214 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574148106 949975833 /nfs/dbraw/zinc/97/58/33/949975833.db2.gz KKRRFILACIZGSB-JCGVRSQUSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574148106 949975853 /nfs/dbraw/zinc/97/58/53/949975853.db2.gz KKRRFILACIZGSB-JCGVRSQUSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCC(=O)NC1 ZINC001575572584 949977699 /nfs/dbraw/zinc/97/76/99/949977699.db2.gz GVWIWPRXKXBWQW-KBXCAEBGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCC(=O)NC1 ZINC001575572584 949977712 /nfs/dbraw/zinc/97/77/12/949977712.db2.gz GVWIWPRXKXBWQW-KBXCAEBGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCC1CCOCC1 ZINC001574974374 949978887 /nfs/dbraw/zinc/97/88/87/949978887.db2.gz PFUHQHOQQXFEGZ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCC1CCOCC1 ZINC001574974374 949978906 /nfs/dbraw/zinc/97/89/06/949978906.db2.gz PFUHQHOQQXFEGZ-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)c1 ZINC001574148420 949980041 /nfs/dbraw/zinc/98/00/41/949980041.db2.gz MSUFPHVMPCYWFK-CYBMUJFWSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)c1 ZINC001574148420 949980052 /nfs/dbraw/zinc/98/00/52/949980052.db2.gz MSUFPHVMPCYWFK-CYBMUJFWSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C1CC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575286473 949983139 /nfs/dbraw/zinc/98/31/39/949983139.db2.gz WXNNUVRLZNOLQR-SNVBAGLBSA-N -1 3 389.485 0.391 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148735 949985880 /nfs/dbraw/zinc/98/58/80/949985880.db2.gz PHCWLKDYYGPOSY-CXTNEJHOSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148735 949985903 /nfs/dbraw/zinc/98/59/03/949985903.db2.gz PHCWLKDYYGPOSY-CXTNEJHOSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1=CCOCC1 ZINC001574148462 949986915 /nfs/dbraw/zinc/98/69/15/949986915.db2.gz NSHNOKVEGDFHCW-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1=CCOCC1 ZINC001574148462 949986932 /nfs/dbraw/zinc/98/69/32/949986932.db2.gz NSHNOKVEGDFHCW-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148737 949987468 /nfs/dbraw/zinc/98/74/68/949987468.db2.gz PHCWLKDYYGPOSY-RMRHIDDWSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148737 949987489 /nfs/dbraw/zinc/98/74/89/949987489.db2.gz PHCWLKDYYGPOSY-RMRHIDDWSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001573831111 949989793 /nfs/dbraw/zinc/98/97/93/949989793.db2.gz SYCCDSQGHRWLRE-DGCLKSJQSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001573831111 949989826 /nfs/dbraw/zinc/98/98/26/949989826.db2.gz SYCCDSQGHRWLRE-DGCLKSJQSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573831319 949990459 /nfs/dbraw/zinc/99/04/59/949990459.db2.gz UKEXYIVKPIFRBV-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573831319 949990477 /nfs/dbraw/zinc/99/04/77/949990477.db2.gz UKEXYIVKPIFRBV-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575891170 949991526 /nfs/dbraw/zinc/99/15/26/949991526.db2.gz GCNKFBGMGCNFHM-JQWIXIFHSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575891170 949991546 /nfs/dbraw/zinc/99/15/46/949991546.db2.gz GCNKFBGMGCNFHM-JQWIXIFHSA-N -1 3 381.400 0.545 20 0 GCADHM CC(C)C[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148781 949991855 /nfs/dbraw/zinc/99/18/55/949991855.db2.gz PYIBPMOCACYMEM-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148781 949991870 /nfs/dbraw/zinc/99/18/70/949991870.db2.gz PYIBPMOCACYMEM-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574490364 949992151 /nfs/dbraw/zinc/99/21/51/949992151.db2.gz QFWZJBGBLFVGNQ-MNOVXSKESA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574490364 949992168 /nfs/dbraw/zinc/99/21/68/949992168.db2.gz QFWZJBGBLFVGNQ-MNOVXSKESA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574490363 949992630 /nfs/dbraw/zinc/99/26/30/949992630.db2.gz QFWZJBGBLFVGNQ-GHMZBOCLSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574490363 949992643 /nfs/dbraw/zinc/99/26/43/949992643.db2.gz QFWZJBGBLFVGNQ-GHMZBOCLSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148778 949994937 /nfs/dbraw/zinc/99/49/37/949994937.db2.gz PYIBPMOCACYMEM-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148778 949994953 /nfs/dbraw/zinc/99/49/53/949994953.db2.gz PYIBPMOCACYMEM-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573831422 949995320 /nfs/dbraw/zinc/99/53/20/949995320.db2.gz XWVDVEYUVOLCFV-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573831422 949995347 /nfs/dbraw/zinc/99/53/47/949995347.db2.gz XWVDVEYUVOLCFV-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ncc[nH]2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576181256 949996404 /nfs/dbraw/zinc/99/64/04/949996404.db2.gz SIHGPQMKNPAXSE-MFKMUULPSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ncc[nH]2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576181256 949996422 /nfs/dbraw/zinc/99/64/22/949996422.db2.gz SIHGPQMKNPAXSE-MFKMUULPSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC(=O)C1 ZINC001575573542 949996692 /nfs/dbraw/zinc/99/66/92/949996692.db2.gz MVJYRNIUDMZSMZ-INIZCTEOSA-N -1 3 375.458 0.145 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575891361 949998424 /nfs/dbraw/zinc/99/84/24/949998424.db2.gz ISKOIHMIOVGJKL-WCQYABFASA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cccnc1 ZINC001575891361 949998437 /nfs/dbraw/zinc/99/84/37/949998437.db2.gz ISKOIHMIOVGJKL-WCQYABFASA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001575891318 949999187 /nfs/dbraw/zinc/99/91/87/949999187.db2.gz HXBLUELQYKKIRA-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001575891318 949999201 /nfs/dbraw/zinc/99/92/01/949999201.db2.gz HXBLUELQYKKIRA-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](NC(=O)Cc1c[nH]cn1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575289643 950000590 /nfs/dbraw/zinc/00/05/90/950000590.db2.gz AVAKHVVOOYWVAG-NWDGAFQWSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](NC(=O)Cc1c[nH]cn1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575289643 950000609 /nfs/dbraw/zinc/00/06/09/950000609.db2.gz AVAKHVVOOYWVAG-NWDGAFQWSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576181349 950000984 /nfs/dbraw/zinc/00/09/84/950000984.db2.gz HSBSGHBYNMCOMT-DGCLKSJQSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576181349 950001007 /nfs/dbraw/zinc/00/10/07/950001007.db2.gz HSBSGHBYNMCOMT-DGCLKSJQSA-N -1 3 389.460 0.570 20 0 GCADHM CC1CCN(C(=O)C(=O)N(C)CCNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001576181394 950004079 /nfs/dbraw/zinc/00/40/79/950004079.db2.gz UHPPAOGSKMXXMM-UHFFFAOYSA-N -1 3 390.423 0.530 20 0 GCADHM CC1CCN(C(=O)C(=O)N(C)CCNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001576181394 950004105 /nfs/dbraw/zinc/00/41/05/950004105.db2.gz UHPPAOGSKMXXMM-UHFFFAOYSA-N -1 3 390.423 0.530 20 0 GCADHM CC1(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC001575573823 950005245 /nfs/dbraw/zinc/00/52/45/950005245.db2.gz PJKJSAIZOBDCRZ-LLVKDONJSA-N -1 3 378.408 0.712 20 0 GCADHM CC1(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC001575573823 950005264 /nfs/dbraw/zinc/00/52/64/950005264.db2.gz PJKJSAIZOBDCRZ-LLVKDONJSA-N -1 3 378.408 0.712 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575891415 950006349 /nfs/dbraw/zinc/00/63/49/950006349.db2.gz JMDRKXUOLUWRET-GHMZBOCLSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)C1=COCCO1 ZINC001575891415 950006366 /nfs/dbraw/zinc/00/63/66/950006366.db2.gz JMDRKXUOLUWRET-GHMZBOCLSA-N -1 3 387.400 0.192 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)CCNC(=O)C1 ZINC001575574045 950008029 /nfs/dbraw/zinc/00/80/29/950008029.db2.gz RERFQIFDKNYXCU-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)CCNC(=O)C1 ZINC001575574045 950008048 /nfs/dbraw/zinc/00/80/48/950008048.db2.gz RERFQIFDKNYXCU-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM CC(C)C[C@H](CNC(=O)CC(C)(C)O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574149533 950010701 /nfs/dbraw/zinc/01/07/01/950010701.db2.gz VXHGQZNXOXVHJO-GFCCVEGCSA-N -1 3 377.449 0.617 20 0 GCADHM CC(C)C[C@H](CNC(=O)CC(C)(C)O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574149533 950010725 /nfs/dbraw/zinc/01/07/25/950010725.db2.gz VXHGQZNXOXVHJO-GFCCVEGCSA-N -1 3 377.449 0.617 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1=CCOCC1 ZINC001574150130 950013886 /nfs/dbraw/zinc/01/38/86/950013886.db2.gz XYEPZNUKOBJUIL-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/05/72/52/950057252.db2.gz KIMYJRVZTWQFNB-VIFPVBQESA-N -1 3 385.350 0.725 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccncn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151148 950058211 /nfs/dbraw/zinc/05/82/11/950058211.db2.gz MASVSDAPVGOTDV-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccncn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151148 950058232 /nfs/dbraw/zinc/05/82/32/950058232.db2.gz MASVSDAPVGOTDV-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cncn1C ZINC001574151172 950059645 /nfs/dbraw/zinc/05/96/45/950059645.db2.gz MOFABSRZHLZGGN-LLVKDONJSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cncn1C ZINC001574151172 950059669 /nfs/dbraw/zinc/05/96/69/950059669.db2.gz MOFABSRZHLZGGN-LLVKDONJSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574976147 950060252 /nfs/dbraw/zinc/06/02/52/950060252.db2.gz MWMUBYWMFNKQRG-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1CC2(C1)CCOCC2 ZINC001574976147 950060270 /nfs/dbraw/zinc/06/02/70/950060270.db2.gz MWMUBYWMFNKQRG-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574732073 950062943 /nfs/dbraw/zinc/06/29/43/950062943.db2.gz FUTSMPHNRLJHRZ-VIFPVBQESA-N -1 3 376.812 0.466 20 0 GCADHM C[C@@H](CN(C)C(=O)Cn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574732073 950062965 /nfs/dbraw/zinc/06/29/65/950062965.db2.gz FUTSMPHNRLJHRZ-VIFPVBQESA-N -1 3 376.812 0.466 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574732104 950063520 /nfs/dbraw/zinc/06/35/20/950063520.db2.gz GCDKJVSFTQLURK-SKDRFNHKSA-N -1 3 391.411 0.203 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574732104 950063537 /nfs/dbraw/zinc/06/35/37/950063537.db2.gz GCDKJVSFTQLURK-SKDRFNHKSA-N -1 3 391.411 0.203 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575892306 950064194 /nfs/dbraw/zinc/06/41/94/950064194.db2.gz VNUWFDWHHVNOBY-WCBMZHEXSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1n[nH]cc1F ZINC001575892306 950064218 /nfs/dbraw/zinc/06/42/18/950064218.db2.gz VNUWFDWHHVNOBY-WCBMZHEXSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1COc2ccccc21 ZINC001574976211 950065504 /nfs/dbraw/zinc/06/55/04/950065504.db2.gz NZSNHBDBVQDMBI-GWCFXTLKSA-N -1 3 381.396 0.606 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1COc2ccccc21 ZINC001574976211 950065535 /nfs/dbraw/zinc/06/55/35/950065535.db2.gz NZSNHBDBVQDMBI-GWCFXTLKSA-N -1 3 381.396 0.606 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1cc2n(n1)CCCC2 ZINC001574976226 950067173 /nfs/dbraw/zinc/06/71/73/950067173.db2.gz OCYXVIDQLHTTKZ-LBPRGKRZSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1cc2n(n1)CCCC2 ZINC001574976226 950067189 /nfs/dbraw/zinc/06/71/89/950067189.db2.gz OCYXVIDQLHTTKZ-LBPRGKRZSA-N -1 3 383.460 0.978 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575892441 950068234 /nfs/dbraw/zinc/06/82/34/950068234.db2.gz WAWHNTWGDXDYPJ-ONGXEEELSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575892441 950068256 /nfs/dbraw/zinc/06/82/56/950068256.db2.gz WAWHNTWGDXDYPJ-ONGXEEELSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574492246 950072580 /nfs/dbraw/zinc/07/25/80/950072580.db2.gz LLIOBVUHCMJQTL-QWRGUYRKSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574492246 950072598 /nfs/dbraw/zinc/07/25/98/950072598.db2.gz LLIOBVUHCMJQTL-QWRGUYRKSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575892621 950072822 /nfs/dbraw/zinc/07/28/22/950072822.db2.gz YLZDSNSUBGUHNU-VHSXEESVSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575892621 950072843 /nfs/dbraw/zinc/07/28/43/950072843.db2.gz YLZDSNSUBGUHNU-VHSXEESVSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC1CCCC1 ZINC001574976399 950073704 /nfs/dbraw/zinc/07/37/04/950073704.db2.gz RWERYCDXBBRZTK-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC1CCCC1 ZINC001574976399 950073722 /nfs/dbraw/zinc/07/37/22/950073722.db2.gz RWERYCDXBBRZTK-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nnn(C(C)(C)C)n1 ZINC001574976436 950076657 /nfs/dbraw/zinc/07/66/57/950076657.db2.gz SUXWXMYJYUUZCX-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nnn(C(C)(C)C)n1 ZINC001574976436 950076680 /nfs/dbraw/zinc/07/66/80/950076680.db2.gz SUXWXMYJYUUZCX-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC001575577085 950079969 /nfs/dbraw/zinc/07/99/69/950079969.db2.gz VBKRBUDDOVBBNL-NSHDSACASA-N -1 3 379.396 0.107 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC001575577085 950079994 /nfs/dbraw/zinc/07/99/94/950079994.db2.gz VBKRBUDDOVBBNL-NSHDSACASA-N -1 3 379.396 0.107 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccn2C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575892731 950080498 /nfs/dbraw/zinc/08/04/98/950080498.db2.gz YUWNWYVMAYKHNR-VXGBXAGGSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccn2C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575892731 950080520 /nfs/dbraw/zinc/08/05/20/950080520.db2.gz YUWNWYVMAYKHNR-VXGBXAGGSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574976516 950081583 /nfs/dbraw/zinc/08/15/83/950081583.db2.gz URHHTFCYYZTIEH-XPTSAGLGSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574976516 950081601 /nfs/dbraw/zinc/08/16/01/950081601.db2.gz URHHTFCYYZTIEH-XPTSAGLGSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cncc(F)c1 ZINC001574976464 950081683 /nfs/dbraw/zinc/08/16/83/950081683.db2.gz UBHFISUZUJZERN-JTQLQIEISA-N -1 3 386.391 0.596 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cncc(F)c1 ZINC001574976464 950081703 /nfs/dbraw/zinc/08/17/03/950081703.db2.gz UBHFISUZUJZERN-JTQLQIEISA-N -1 3 386.391 0.596 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574492468 950087423 /nfs/dbraw/zinc/08/74/23/950087423.db2.gz NDKDUJWCPJCKTR-GHMZBOCLSA-N -1 3 392.489 0.456 20 0 GCADHM C[C@@]1(C(=O)NCC2(CCNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOC1 ZINC001575577931 950087701 /nfs/dbraw/zinc/08/77/01/950087701.db2.gz YNKSLVJFHCCBET-QGZVFWFLSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@@]1(C(=O)NCC2(CCNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOC1 ZINC001575577931 950087722 /nfs/dbraw/zinc/08/77/22/950087722.db2.gz YNKSLVJFHCCBET-QGZVFWFLSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575893907 950090499 /nfs/dbraw/zinc/09/04/99/950090499.db2.gz BVLXQJZOWHZQGB-MNOVXSKESA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575893907 950090516 /nfs/dbraw/zinc/09/05/16/950090516.db2.gz BVLXQJZOWHZQGB-MNOVXSKESA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575893634 950091330 /nfs/dbraw/zinc/09/13/30/950091330.db2.gz BBPYECNMBXLOKN-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575893634 950091353 /nfs/dbraw/zinc/09/13/53/950091353.db2.gz BBPYECNMBXLOKN-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575893914 950091886 /nfs/dbraw/zinc/09/18/86/950091886.db2.gz BVLXQJZOWHZQGB-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575893914 950091907 /nfs/dbraw/zinc/09/19/07/950091907.db2.gz BVLXQJZOWHZQGB-WDEREUQCSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccnn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151826 950093828 /nfs/dbraw/zinc/09/38/28/950093828.db2.gz YZEWVUTXVPTMKI-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151826 950093846 /nfs/dbraw/zinc/09/38/46/950093846.db2.gz YZEWVUTXVPTMKI-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151797 950094324 /nfs/dbraw/zinc/09/43/24/950094324.db2.gz YHQISWVSCIDLRI-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151797 950094346 /nfs/dbraw/zinc/09/43/46/950094346.db2.gz YHQISWVSCIDLRI-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)CCOC1 ZINC001575582057 950097464 /nfs/dbraw/zinc/09/74/64/950097464.db2.gz CXBRWICKJMLKMZ-ZIVKBKJYSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)CCOC1 ZINC001575582057 950097485 /nfs/dbraw/zinc/09/74/85/950097485.db2.gz CXBRWICKJMLKMZ-ZIVKBKJYSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3ccccc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575582091 950097711 /nfs/dbraw/zinc/09/77/11/950097711.db2.gz DWIAIOQZAQVMRU-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3ccccc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575582091 950097729 /nfs/dbraw/zinc/09/77/29/950097729.db2.gz DWIAIOQZAQVMRU-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575894401 950101935 /nfs/dbraw/zinc/10/19/35/950101935.db2.gz DOQDPIXCXYQITE-HZMBPMFUSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575894401 950101942 /nfs/dbraw/zinc/10/19/42/950101942.db2.gz DOQDPIXCXYQITE-HZMBPMFUSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574976789 950102473 /nfs/dbraw/zinc/10/24/73/950102473.db2.gz ATLWXOVEFNLKBC-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001574976789 950102485 /nfs/dbraw/zinc/10/24/85/950102485.db2.gz ATLWXOVEFNLKBC-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574152437 950105388 /nfs/dbraw/zinc/10/53/88/950105388.db2.gz CDXLKLVEXQFZES-OCCSQVGLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574152437 950105403 /nfs/dbraw/zinc/10/54/03/950105403.db2.gz CDXLKLVEXQFZES-OCCSQVGLSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574492875 950107615 /nfs/dbraw/zinc/10/76/15/950107615.db2.gz DKRRWKGZPLURAW-QWRGUYRKSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574492875 950107627 /nfs/dbraw/zinc/10/76/27/950107627.db2.gz DKRRWKGZPLURAW-QWRGUYRKSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc(N(C)C)cn1 ZINC001574977064 950107711 /nfs/dbraw/zinc/10/77/11/950107711.db2.gz GKXYHKBVYWZYGQ-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc(N(C)C)cn1 ZINC001574977064 950107725 /nfs/dbraw/zinc/10/77/25/950107725.db2.gz GKXYHKBVYWZYGQ-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001576183972 950110239 /nfs/dbraw/zinc/11/02/39/950110239.db2.gz UPHDSYSIXDREJZ-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C2CC2)nn1C ZINC001574977044 950110333 /nfs/dbraw/zinc/11/03/33/950110333.db2.gz FWCLKWLIFRBQPH-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C2CC2)nn1C ZINC001574977044 950110343 /nfs/dbraw/zinc/11/03/43/950110343.db2.gz FWCLKWLIFRBQPH-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)C[C@H](CNCc1cnsn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574152557 950111834 /nfs/dbraw/zinc/11/18/34/950111834.db2.gz GGAYRTYOXFCYSO-LLVKDONJSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)C[C@H](CNCc1cnsn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574152557 950111842 /nfs/dbraw/zinc/11/18/42/950111842.db2.gz GGAYRTYOXFCYSO-LLVKDONJSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ocnc1C(F)F ZINC001574977309 950116495 /nfs/dbraw/zinc/11/64/95/950116495.db2.gz JURMVEXDWLEBIN-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ocnc1C(F)F ZINC001574977309 950116512 /nfs/dbraw/zinc/11/65/12/950116512.db2.gz JURMVEXDWLEBIN-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM CC(C)(C)CC(=O)NCCN1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001573838780 950117753 /nfs/dbraw/zinc/11/77/53/950117753.db2.gz IXMAOHBIBMPBAX-UHFFFAOYSA-N -1 3 387.492 0.507 20 0 GCADHM CC(C)(C)CC(=O)NCCN1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001573838780 950117770 /nfs/dbraw/zinc/11/77/70/950117770.db2.gz IXMAOHBIBMPBAX-UHFFFAOYSA-N -1 3 387.492 0.507 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ocnc1C(F)F ZINC001574977310 950119205 /nfs/dbraw/zinc/11/92/05/950119205.db2.gz JURMVEXDWLEBIN-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ocnc1C(F)F ZINC001574977310 950119216 /nfs/dbraw/zinc/11/92/16/950119216.db2.gz JURMVEXDWLEBIN-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574977570 950121043 /nfs/dbraw/zinc/12/10/43/950121043.db2.gz LKIJNLIMKIGJFX-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574977570 950121053 /nfs/dbraw/zinc/12/10/53/950121053.db2.gz LKIJNLIMKIGJFX-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574493280 950121435 /nfs/dbraw/zinc/12/14/35/950121435.db2.gz RRYNSHNHDXQTLR-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574493280 950121449 /nfs/dbraw/zinc/12/14/49/950121449.db2.gz RRYNSHNHDXQTLR-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575896144 950121812 /nfs/dbraw/zinc/12/18/12/950121812.db2.gz KOTIXKBGAWCHRE-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575896144 950121823 /nfs/dbraw/zinc/12/18/23/950121823.db2.gz KOTIXKBGAWCHRE-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573838877 950122075 /nfs/dbraw/zinc/12/20/75/950122075.db2.gz JYIAJTZEZFHGOT-LLVKDONJSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573838877 950122092 /nfs/dbraw/zinc/12/20/92/950122092.db2.gz JYIAJTZEZFHGOT-LLVKDONJSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573838878 950122324 /nfs/dbraw/zinc/12/23/24/950122324.db2.gz JYIAJTZEZFHGOT-NSHDSACASA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573838878 950122340 /nfs/dbraw/zinc/12/23/40/950122340.db2.gz JYIAJTZEZFHGOT-NSHDSACASA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575896143 950123406 /nfs/dbraw/zinc/12/34/06/950123406.db2.gz KOTIXKBGAWCHRE-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575896143 950123420 /nfs/dbraw/zinc/12/34/20/950123420.db2.gz KOTIXKBGAWCHRE-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574493279 950123759 /nfs/dbraw/zinc/12/37/59/950123759.db2.gz RRYNSHNHDXQTLR-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574493279 950123768 /nfs/dbraw/zinc/12/37/68/950123768.db2.gz RRYNSHNHDXQTLR-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)c1ncc[nH]1 ZINC001576184307 950125398 /nfs/dbraw/zinc/12/53/98/950125398.db2.gz VVYQPZHRZHJQAR-GWCFXTLKSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1ncc[nH]1 ZINC001576184307 950125409 /nfs/dbraw/zinc/12/54/09/950125409.db2.gz VVYQPZHRZHJQAR-GWCFXTLKSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)CCOC1 ZINC001575582699 950125847 /nfs/dbraw/zinc/12/58/47/950125847.db2.gz MDRZPANRRDKSKA-KRWDZBQOSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)CCOC1 ZINC001575582699 950125860 /nfs/dbraw/zinc/12/58/60/950125860.db2.gz MDRZPANRRDKSKA-KRWDZBQOSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnnn2C)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575896304 950126890 /nfs/dbraw/zinc/12/68/90/950126890.db2.gz LZBGHOZWCMQBJW-CMPLNLGQSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnnn2C)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575896304 950126902 /nfs/dbraw/zinc/12/69/02/950126902.db2.gz LZBGHOZWCMQBJW-CMPLNLGQSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575896271 950127119 /nfs/dbraw/zinc/12/71/19/950127119.db2.gz LRETWNKMRKKRAL-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575896271 950127137 /nfs/dbraw/zinc/12/71/37/950127137.db2.gz LRETWNKMRKKRAL-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574977841 950128859 /nfs/dbraw/zinc/12/88/59/950128859.db2.gz OMLPKFUYZURCPS-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574977841 950128875 /nfs/dbraw/zinc/12/88/75/950128875.db2.gz OMLPKFUYZURCPS-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575582874 950128916 /nfs/dbraw/zinc/12/89/16/950128916.db2.gz IFTLNZCPMOEWLO-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575582874 950128926 /nfs/dbraw/zinc/12/89/26/950128926.db2.gz IFTLNZCPMOEWLO-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574977839 950129231 /nfs/dbraw/zinc/12/92/31/950129231.db2.gz OMLPKFUYZURCPS-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc(C2CC2)nc1 ZINC001574977839 950129248 /nfs/dbraw/zinc/12/92/48/950129248.db2.gz OMLPKFUYZURCPS-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnnn2C)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575896730 950130836 /nfs/dbraw/zinc/13/08/36/950130836.db2.gz NAVKCYMPICPGTH-CMPLNLGQSA-N -1 3 387.473 0.840 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1occ2c1CCOC2 ZINC001574978013 950131376 /nfs/dbraw/zinc/13/13/76/950131376.db2.gz PFQAWMIPKMOFBU-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1occ2c1CCOC2 ZINC001574978013 950131389 /nfs/dbraw/zinc/13/13/89/950131389.db2.gz PFQAWMIPKMOFBU-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574153195 950133212 /nfs/dbraw/zinc/13/32/12/950133212.db2.gz OZJKJTVVMPQAPG-LBPRGKRZSA-N -1 3 385.432 0.957 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001574978079 950133672 /nfs/dbraw/zinc/13/36/72/950133672.db2.gz QJTVDDQSLYEODU-VIFPVBQESA-N -1 3 384.400 0.144 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001574978079 950133685 /nfs/dbraw/zinc/13/36/85/950133685.db2.gz QJTVDDQSLYEODU-VIFPVBQESA-N -1 3 384.400 0.144 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573839908 950135188 /nfs/dbraw/zinc/13/51/88/950135188.db2.gz YSMJLQVGGCZORB-LBPRGKRZSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573839908 950135199 /nfs/dbraw/zinc/13/51/99/950135199.db2.gz YSMJLQVGGCZORB-LBPRGKRZSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575897630 950142264 /nfs/dbraw/zinc/14/22/64/950142264.db2.gz PJBWBISBGTVZBZ-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575897630 950142279 /nfs/dbraw/zinc/14/22/79/950142279.db2.gz PJBWBISBGTVZBZ-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574493865 950142825 /nfs/dbraw/zinc/14/28/25/950142825.db2.gz IHXJUASTMRVDID-DGCLKSJQSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574493865 950142838 /nfs/dbraw/zinc/14/28/38/950142838.db2.gz IHXJUASTMRVDID-DGCLKSJQSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576184869 950143186 /nfs/dbraw/zinc/14/31/86/950143186.db2.gz XIYXZBZAFNSLHR-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576184869 950143205 /nfs/dbraw/zinc/14/32/05/950143205.db2.gz XIYXZBZAFNSLHR-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1COCCO1 ZINC001574153355 950144530 /nfs/dbraw/zinc/14/45/30/950144530.db2.gz SHOMVSFDVBSSIR-ZFWWWQNUSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1COCCO1 ZINC001574153355 950144541 /nfs/dbraw/zinc/14/45/41/950144541.db2.gz SHOMVSFDVBSSIR-ZFWWWQNUSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@H](C)NC(N)=O ZINC001574153476 950145179 /nfs/dbraw/zinc/14/51/79/950145179.db2.gz SWCPFFXPCLZZTL-AAEUAGOBSA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@H](C)NC(N)=O ZINC001574153476 950145195 /nfs/dbraw/zinc/14/51/95/950145195.db2.gz SWCPFFXPCLZZTL-AAEUAGOBSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574734842 950146544 /nfs/dbraw/zinc/14/65/44/950146544.db2.gz SNENWMKQMBEWCI-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574734842 950146557 /nfs/dbraw/zinc/14/65/57/950146557.db2.gz SNENWMKQMBEWCI-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cccc(F)c1F ZINC001574979096 950148659 /nfs/dbraw/zinc/14/86/59/950148659.db2.gz WBJUHVSMILAKAX-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cccc(F)c1F ZINC001574979096 950148668 /nfs/dbraw/zinc/14/86/68/950148668.db2.gz WBJUHVSMILAKAX-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574494125 950150477 /nfs/dbraw/zinc/15/04/77/950150477.db2.gz WWWWJYHBNBRZMF-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574494125 950150514 /nfs/dbraw/zinc/15/05/14/950150514.db2.gz WWWWJYHBNBRZMF-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574494033 950151596 /nfs/dbraw/zinc/15/15/96/950151596.db2.gz WVWCEYZWQHHEEQ-UWVGGRQHSA-N -1 3 378.462 0.066 20 0 GCADHM CC(C)(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573842591 950151720 /nfs/dbraw/zinc/15/17/20/950151720.db2.gz IFBYQCIEUPCNIW-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573842591 950151739 /nfs/dbraw/zinc/15/17/39/950151739.db2.gz IFBYQCIEUPCNIW-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@H]1CCNC1=O ZINC001574153888 950153156 /nfs/dbraw/zinc/15/31/56/950153156.db2.gz XIRVVEYVPFZJEA-OCCSQVGLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@H]1CCNC1=O ZINC001574153888 950153166 /nfs/dbraw/zinc/15/31/66/950153166.db2.gz XIRVVEYVPFZJEA-OCCSQVGLSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNc1ncnc2c1cnn2C ZINC001574982245 950154993 /nfs/dbraw/zinc/15/49/93/950154993.db2.gz ADQJNHZQASCYDL-VIFPVBQESA-N -1 3 381.404 0.350 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNc1ncnc2c1cnn2C ZINC001574982245 950155004 /nfs/dbraw/zinc/15/50/04/950155004.db2.gz ADQJNHZQASCYDL-VIFPVBQESA-N -1 3 381.404 0.350 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575898552 950155410 /nfs/dbraw/zinc/15/54/10/950155410.db2.gz SXVJFBPZESIBQB-PWSUYJOCSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575898552 950155428 /nfs/dbraw/zinc/15/54/28/950155428.db2.gz SXVJFBPZESIBQB-PWSUYJOCSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCC(C)CC1 ZINC001576185101 950157485 /nfs/dbraw/zinc/15/74/85/950157485.db2.gz ZNXGGZBOOLAGOT-ZDUSSCGKSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574982282 950159422 /nfs/dbraw/zinc/15/94/22/950159422.db2.gz AMYAJBLFXUDODN-SECBINFHSA-N -1 3 386.391 0.911 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574982282 950159430 /nfs/dbraw/zinc/15/94/30/950159430.db2.gz AMYAJBLFXUDODN-SECBINFHSA-N -1 3 386.391 0.911 20 0 GCADHM C[C@]1(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575584009 950159846 /nfs/dbraw/zinc/15/98/46/950159846.db2.gz OGWZWPHHBKWLOB-LPSAFJIBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575584009 950159857 /nfs/dbraw/zinc/15/98/57/950159857.db2.gz OGWZWPHHBKWLOB-LPSAFJIBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576185129 950160046 /nfs/dbraw/zinc/16/00/46/950160046.db2.gz ZNFKEENCXOWULW-FZMZJTMJSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576185129 950160055 /nfs/dbraw/zinc/16/00/55/950160055.db2.gz ZNFKEENCXOWULW-FZMZJTMJSA-N -1 3 382.432 0.743 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)c1cnn(C)c1N ZINC001574154009 950161144 /nfs/dbraw/zinc/16/11/44/950161144.db2.gz ZKCIPKMYGDKTMM-LBPRGKRZSA-N -1 3 384.448 0.834 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)c1cnn(C)c1N ZINC001574154009 950161159 /nfs/dbraw/zinc/16/11/59/950161159.db2.gz ZKCIPKMYGDKTMM-LBPRGKRZSA-N -1 3 384.448 0.834 20 0 GCADHM C[C@H](CC(=O)NC1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC1)NC(N)=O ZINC001574494441 950164726 /nfs/dbraw/zinc/16/47/26/950164726.db2.gz YSKSDDWWYIAERT-LLVKDONJSA-N -1 3 387.448 0.550 20 0 GCADHM C[C@H](CC(=O)NC1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC1)NC(N)=O ZINC001574494441 950164740 /nfs/dbraw/zinc/16/47/40/950164740.db2.gz YSKSDDWWYIAERT-LLVKDONJSA-N -1 3 387.448 0.550 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3cccc(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575584244 950167529 /nfs/dbraw/zinc/16/75/29/950167529.db2.gz XHYAYBVBQQOMGC-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3cccc(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575584244 950167543 /nfs/dbraw/zinc/16/75/43/950167543.db2.gz XHYAYBVBQQOMGC-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575899716 950172588 /nfs/dbraw/zinc/17/25/88/950172588.db2.gz YGSWEXLELFGMIE-NOZJJQNGSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899716 950172605 /nfs/dbraw/zinc/17/26/05/950172605.db2.gz YGSWEXLELFGMIE-NOZJJQNGSA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573843369 950172929 /nfs/dbraw/zinc/17/29/29/950172929.db2.gz VYEFIQDIWFMTQK-OCCSQVGLSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573843369 950172942 /nfs/dbraw/zinc/17/29/42/950172942.db2.gz VYEFIQDIWFMTQK-OCCSQVGLSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ccncc1)C1CC1 ZINC001574982722 950178585 /nfs/dbraw/zinc/17/85/85/950178585.db2.gz GXHMFKHTWKBPMY-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ccncc1)C1CC1 ZINC001574982722 950178593 /nfs/dbraw/zinc/17/85/93/950178593.db2.gz GXHMFKHTWKBPMY-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1-c1ccoc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574982769 950182857 /nfs/dbraw/zinc/18/28/57/950182857.db2.gz GSJLDCIWTARILN-SECBINFHSA-N -1 3 380.372 0.870 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1)c1ccncc1 ZINC001574494860 950187167 /nfs/dbraw/zinc/18/71/67/950187167.db2.gz PILHOGSOUBANCG-JSGCOSHPSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1)c1ccncc1 ZINC001574494860 950187182 /nfs/dbraw/zinc/18/71/82/950187182.db2.gz PILHOGSOUBANCG-JSGCOSHPSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574494863 950187254 /nfs/dbraw/zinc/18/72/54/950187254.db2.gz PJUWYAONDCWQEX-NXEZZACHSA-N -1 3 378.412 0.394 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574494863 950187272 /nfs/dbraw/zinc/18/72/72/950187272.db2.gz PJUWYAONDCWQEX-NXEZZACHSA-N -1 3 378.412 0.394 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)c1Cl ZINC001574739203 950188188 /nfs/dbraw/zinc/18/81/88/950188188.db2.gz MVYOVAOQOLIRHI-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)c1Cl ZINC001574739203 950188202 /nfs/dbraw/zinc/18/82/02/950188202.db2.gz MVYOVAOQOLIRHI-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1ocnc1C1CC1 ZINC001574982868 950188552 /nfs/dbraw/zinc/18/85/52/950188552.db2.gz HMTIRNMTBOZEBO-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1ocnc1C1CC1 ZINC001574982868 950188570 /nfs/dbraw/zinc/18/85/70/950188570.db2.gz HMTIRNMTBOZEBO-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574982880 950188804 /nfs/dbraw/zinc/18/88/04/950188804.db2.gz HRAINRREANDHCT-TZQJONAQSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574982880 950188816 /nfs/dbraw/zinc/18/88/16/950188816.db2.gz HRAINRREANDHCT-TZQJONAQSA-N -1 3 387.444 0.492 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001575585188 950189367 /nfs/dbraw/zinc/18/93/67/950189367.db2.gz XDTJQSFGPQJTJC-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001575585188 950189375 /nfs/dbraw/zinc/18/93/75/950189375.db2.gz XDTJQSFGPQJTJC-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1ncnn1C(C)(C)C ZINC001574739224 950189680 /nfs/dbraw/zinc/18/96/80/950189680.db2.gz NFBDXHWAKLVIBO-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1ncnn1C(C)(C)C ZINC001574739223 950190192 /nfs/dbraw/zinc/19/01/92/950190192.db2.gz NFBDXHWAKLVIBO-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1ccnc1 ZINC001574494912 950192264 /nfs/dbraw/zinc/19/22/64/950192264.db2.gz PZOVVBRPQHNJFH-DGCLKSJQSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1ccnc1 ZINC001574494912 950192273 /nfs/dbraw/zinc/19/22/73/950192273.db2.gz PZOVVBRPQHNJFH-DGCLKSJQSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c(F)cncc1F ZINC001574739491 950194269 /nfs/dbraw/zinc/19/42/69/950194269.db2.gz QFGMOGAGNUXYJV-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c(F)cncc1F ZINC001574739491 950194278 /nfs/dbraw/zinc/19/42/78/950194278.db2.gz QFGMOGAGNUXYJV-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c(F)cncc1F ZINC001574739490 950194481 /nfs/dbraw/zinc/19/44/81/950194481.db2.gz QFGMOGAGNUXYJV-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c(F)cncc1F ZINC001574739490 950194493 /nfs/dbraw/zinc/19/44/93/950194493.db2.gz QFGMOGAGNUXYJV-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@]1(C(=O)NCC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575585597 950196510 /nfs/dbraw/zinc/19/65/10/950196510.db2.gz AZYFKCRJXSAFQU-SFHVURJKSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NCC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575585597 950196522 /nfs/dbraw/zinc/19/65/22/950196522.db2.gz AZYFKCRJXSAFQU-SFHVURJKSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574739531 950199324 /nfs/dbraw/zinc/19/93/24/950199324.db2.gz REKTYTGPQQIVHY-QMMMGPOBSA-N -1 3 391.823 0.927 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574739531 950199336 /nfs/dbraw/zinc/19/93/36/950199336.db2.gz REKTYTGPQQIVHY-QMMMGPOBSA-N -1 3 391.823 0.927 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001574983091 950199853 /nfs/dbraw/zinc/19/98/53/950199853.db2.gz JUSCKPBTJLUFLF-SNVBAGLBSA-N -1 3 385.432 0.378 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl)NC(N)=O ZINC001574495311 950200155 /nfs/dbraw/zinc/20/01/55/950200155.db2.gz SFEYFGIWTQLENJ-HTQZYQBOSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl)NC(N)=O ZINC001574495311 950200169 /nfs/dbraw/zinc/20/01/69/950200169.db2.gz SFEYFGIWTQLENJ-HTQZYQBOSA-N -1 3 381.828 0.279 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573844593 950201126 /nfs/dbraw/zinc/20/11/26/950201126.db2.gz KHIZCSCXCOOAIG-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573844593 950201145 /nfs/dbraw/zinc/20/11/45/950201145.db2.gz KHIZCSCXCOOAIG-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H](C)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574739668 950203793 /nfs/dbraw/zinc/20/37/93/950203793.db2.gz VHCLLOIUYDVONR-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574739668 950203811 /nfs/dbraw/zinc/20/38/11/950203811.db2.gz VHCLLOIUYDVONR-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001574983192 950205606 /nfs/dbraw/zinc/20/56/06/950205606.db2.gz MDNKSGRYRYAIMZ-MRXNPFEDSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001574983192 950205618 /nfs/dbraw/zinc/20/56/18/950205618.db2.gz MDNKSGRYRYAIMZ-MRXNPFEDSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNC(=O)c1ccon1 ZINC001576191662 950206021 /nfs/dbraw/zinc/20/60/21/950206021.db2.gz IUTGABPYMGJFGQ-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNC(=O)c1ccon1 ZINC001576191662 950206038 /nfs/dbraw/zinc/20/60/38/950206038.db2.gz IUTGABPYMGJFGQ-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574155654 950207553 /nfs/dbraw/zinc/20/75/53/950207553.db2.gz PNRSLSZVXYUSRD-DZGCQCFKSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574155654 950207574 /nfs/dbraw/zinc/20/75/74/950207574.db2.gz PNRSLSZVXYUSRD-DZGCQCFKSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574155655 950208176 /nfs/dbraw/zinc/20/81/76/950208176.db2.gz PNRSLSZVXYUSRD-UKRRQHHQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574155655 950208197 /nfs/dbraw/zinc/20/81/97/950208197.db2.gz PNRSLSZVXYUSRD-UKRRQHHQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574496109 950213408 /nfs/dbraw/zinc/21/34/08/950213408.db2.gz VURSKSBMHVNBQL-GXFFZTMASA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574496109 950213419 /nfs/dbraw/zinc/21/34/19/950213419.db2.gz VURSKSBMHVNBQL-GXFFZTMASA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)CN(C)C1CCC1 ZINC001574155844 950213499 /nfs/dbraw/zinc/21/34/99/950213499.db2.gz SFMIYIDZOHJREP-CYBMUJFWSA-N -1 3 387.492 0.506 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001574983401 950217102 /nfs/dbraw/zinc/21/71/02/950217102.db2.gz OLPIMTJERKUEDG-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001574983401 950217121 /nfs/dbraw/zinc/21/71/21/950217121.db2.gz OLPIMTJERKUEDG-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)C1=COCCO1)C1CC1 ZINC001574983413 950217337 /nfs/dbraw/zinc/21/73/37/950217337.db2.gz OPXROZYIIHZNJC-KRWDZBQOSA-N -1 3 387.400 0.098 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)C1=COCCO1)C1CC1 ZINC001574983413 950217356 /nfs/dbraw/zinc/21/73/56/950217356.db2.gz OPXROZYIIHZNJC-KRWDZBQOSA-N -1 3 387.400 0.098 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573845165 950217495 /nfs/dbraw/zinc/21/74/95/950217495.db2.gz TZIMUKYACBJRKH-GFCCVEGCSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573845165 950217514 /nfs/dbraw/zinc/21/75/14/950217514.db2.gz TZIMUKYACBJRKH-GFCCVEGCSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574156063 950220040 /nfs/dbraw/zinc/22/00/40/950220040.db2.gz VTNDRSBIWWWGAB-SNVBAGLBSA-N -1 3 386.420 0.352 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574156062 950222703 /nfs/dbraw/zinc/22/27/03/950222703.db2.gz VTNDRSBIWWWGAB-JTQLQIEISA-N -1 3 386.420 0.352 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573845344 950222804 /nfs/dbraw/zinc/22/28/04/950222804.db2.gz XHVHWFQGCFSGIE-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573845344 950222824 /nfs/dbraw/zinc/22/28/24/950222824.db2.gz XHVHWFQGCFSGIE-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)CCS1(=O)=O ZINC001576192079 950225702 /nfs/dbraw/zinc/22/57/02/950225702.db2.gz LKPHMQWESFADAG-SNVBAGLBSA-N -1 3 382.421 0.724 20 0 GCADHM C[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)CCS1(=O)=O ZINC001576192079 950225725 /nfs/dbraw/zinc/22/57/25/950225725.db2.gz LKPHMQWESFADAG-SNVBAGLBSA-N -1 3 382.421 0.724 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001574497105 950226637 /nfs/dbraw/zinc/22/66/37/950226637.db2.gz YYDCQGZQAGZAPV-WCQYABFASA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001574497105 950226654 /nfs/dbraw/zinc/22/66/54/950226654.db2.gz YYDCQGZQAGZAPV-WCQYABFASA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@]1(C(=O)NCC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575587205 950227052 /nfs/dbraw/zinc/22/70/52/950227052.db2.gz MCLUAHXNOUEJAQ-GOSISDBHSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)NCC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575587205 950227064 /nfs/dbraw/zinc/22/70/64/950227064.db2.gz MCLUAHXNOUEJAQ-GOSISDBHSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ncccn1 ZINC001574740719 950227469 /nfs/dbraw/zinc/22/74/69/950227469.db2.gz FJLWVMPPHLEPAG-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ncccn1 ZINC001574740719 950227493 /nfs/dbraw/zinc/22/74/93/950227493.db2.gz FJLWVMPPHLEPAG-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H](C)NC(N)=O ZINC001574156157 950227766 /nfs/dbraw/zinc/22/77/66/950227766.db2.gz XWODMVADCNHBJS-JQWIXIFHSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H](C)NC(N)=O ZINC001574156157 950227788 /nfs/dbraw/zinc/22/77/88/950227788.db2.gz XWODMVADCNHBJS-JQWIXIFHSA-N -1 3 375.437 0.261 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575586870 950228543 /nfs/dbraw/zinc/22/85/43/950228543.db2.gz KZPYBXNUQQIFJP-KPZWWZAWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575586870 950228558 /nfs/dbraw/zinc/22/85/58/950228558.db2.gz KZPYBXNUQQIFJP-KPZWWZAWSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccn1 ZINC001574497647 950230972 /nfs/dbraw/zinc/23/09/72/950230972.db2.gz AMKLSNRQSOLMEY-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccn1 ZINC001574497647 950230989 /nfs/dbraw/zinc/23/09/89/950230989.db2.gz AMKLSNRQSOLMEY-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576192245 950234998 /nfs/dbraw/zinc/23/49/98/950234998.db2.gz LDVIXSHYNKSNHT-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576192245 950235014 /nfs/dbraw/zinc/23/50/14/950235014.db2.gz LDVIXSHYNKSNHT-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H](CC(=O)NCC1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574497736 950239462 /nfs/dbraw/zinc/23/94/62/950239462.db2.gz BWOILUZOUDPBPB-SILCLGDVSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CC(=O)NCC1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574497736 950239471 /nfs/dbraw/zinc/23/94/71/950239471.db2.gz BWOILUZOUDPBPB-SILCLGDVSA-N -1 3 391.411 0.154 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573845777 950242322 /nfs/dbraw/zinc/24/23/22/950242322.db2.gz LMOPTGNEBSDTQY-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573845777 950242337 /nfs/dbraw/zinc/24/23/37/950242337.db2.gz LMOPTGNEBSDTQY-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ccsn1)C1CC1 ZINC001574983793 950243125 /nfs/dbraw/zinc/24/31/25/950243125.db2.gz SLODJZZJNIFFJU-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ccsn1)C1CC1 ZINC001574983793 950243136 /nfs/dbraw/zinc/24/31/36/950243136.db2.gz SLODJZZJNIFFJU-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cccnc1 ZINC001574741408 950244693 /nfs/dbraw/zinc/24/46/93/950244693.db2.gz AXMZNZPSTWRJFR-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cccnc1 ZINC001574741408 950244712 /nfs/dbraw/zinc/24/47/12/950244712.db2.gz AXMZNZPSTWRJFR-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573846129 950245760 /nfs/dbraw/zinc/24/57/60/950245760.db2.gz OPMHGWQTQHSHEE-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573846129 950245777 /nfs/dbraw/zinc/24/57/77/950245777.db2.gz OPMHGWQTQHSHEE-CYBMUJFWSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cncn1C ZINC001574741593 950250750 /nfs/dbraw/zinc/25/07/50/950250750.db2.gz JRPMWYXABCHYRI-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cncn1C ZINC001574741593 950250765 /nfs/dbraw/zinc/25/07/65/950250765.db2.gz JRPMWYXABCHYRI-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCc1nsc(N(C)C)n1 ZINC001574984022 950251295 /nfs/dbraw/zinc/25/12/95/950251295.db2.gz VNBMYEICSGKGLD-QMMMGPOBSA-N -1 3 376.450 0.020 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nsc(N(C)C)n1 ZINC001574984022 950251306 /nfs/dbraw/zinc/25/13/06/950251306.db2.gz VNBMYEICSGKGLD-QMMMGPOBSA-N -1 3 376.450 0.020 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574983957 950251398 /nfs/dbraw/zinc/25/13/98/950251398.db2.gz UAHUDUBLQFRGEW-MRVPVSSYSA-N -1 3 389.807 0.253 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574983957 950251413 /nfs/dbraw/zinc/25/14/13/950251413.db2.gz UAHUDUBLQFRGEW-MRVPVSSYSA-N -1 3 389.807 0.253 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1cc(Cl)cn1 ZINC001574741805 950254131 /nfs/dbraw/zinc/25/41/31/950254131.db2.gz CYWCMVNIPKOVGU-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1cc(Cl)cn1 ZINC001574741805 950254149 /nfs/dbraw/zinc/25/41/49/950254149.db2.gz CYWCMVNIPKOVGU-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574741773 950254290 /nfs/dbraw/zinc/25/42/90/950254290.db2.gz CKIWYCHUVTWWCU-QWHCGFSZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCCOC1 ZINC001574741773 950254310 /nfs/dbraw/zinc/25/43/10/950254310.db2.gz CKIWYCHUVTWWCU-QWHCGFSZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001574498153 950263590 /nfs/dbraw/zinc/26/35/90/950263590.db2.gz KNKPVCXGLVNVLM-IONNQARKSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001574498153 950263611 /nfs/dbraw/zinc/26/36/11/950263611.db2.gz KNKPVCXGLVNVLM-IONNQARKSA-N -1 3 391.329 0.878 20 0 GCADHM CC(C)(C)OC(=O)[C@]1(NC[C@H](O)c2cccc(-c3nnn[n-]3)c2)CCOC1 ZINC001573849850 950263657 /nfs/dbraw/zinc/26/36/57/950263657.db2.gz CXQNIKODUIZJHP-KSSFIOAISA-N -1 3 375.429 0.991 20 0 GCADHM CC(C)(C)OC(=O)[C@]1(NC[C@H](O)c2cccc(-c3nn[n-]n3)c2)CCOC1 ZINC001573849850 950263676 /nfs/dbraw/zinc/26/36/76/950263676.db2.gz CXQNIKODUIZJHP-KSSFIOAISA-N -1 3 375.429 0.991 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C(C)(C)c1c[nH]cn1 ZINC001574742104 950266376 /nfs/dbraw/zinc/26/63/76/950266376.db2.gz LOSVKCPKMLZPQQ-JTQLQIEISA-N -1 3 385.432 0.472 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575589768 950266831 /nfs/dbraw/zinc/26/68/31/950266831.db2.gz YHKVITSNRQHOLH-LBPRGKRZSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575589768 950266853 /nfs/dbraw/zinc/26/68/53/950266853.db2.gz YHKVITSNRQHOLH-LBPRGKRZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cn(C)nc1Cl ZINC001574984445 950271733 /nfs/dbraw/zinc/27/17/33/950271733.db2.gz ZRSUYORJYVKODO-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cn(C)nc1Cl ZINC001574984445 950271747 /nfs/dbraw/zinc/27/17/47/950271747.db2.gz ZRSUYORJYVKODO-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)OCC1CC1 ZINC001574742178 950272070 /nfs/dbraw/zinc/27/20/70/950272070.db2.gz HLJJMJUDCOISJN-GHMZBOCLSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)OCC1CC1 ZINC001574742178 950272093 /nfs/dbraw/zinc/27/20/93/950272093.db2.gz HLJJMJUDCOISJN-GHMZBOCLSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575589966 950272127 /nfs/dbraw/zinc/27/21/27/950272127.db2.gz ZLBBLBZKTQMJOA-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575589966 950272144 /nfs/dbraw/zinc/27/21/44/950272144.db2.gz ZLBBLBZKTQMJOA-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)OCC1CC1 ZINC001574742179 950273028 /nfs/dbraw/zinc/27/30/28/950273028.db2.gz HLJJMJUDCOISJN-MNOVXSKESA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)OCC1CC1 ZINC001574742179 950273052 /nfs/dbraw/zinc/27/30/52/950273052.db2.gz HLJJMJUDCOISJN-MNOVXSKESA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnsn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575903242 950277336 /nfs/dbraw/zinc/27/73/36/950277336.db2.gz ZCNNNMCIJLOZGT-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnsn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575903242 950277354 /nfs/dbraw/zinc/27/73/54/950277354.db2.gz ZCNNNMCIJLOZGT-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1COCCN1C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001573850894 950279218 /nfs/dbraw/zinc/27/92/18/950279218.db2.gz NYGWRVHIPSYFHW-LSDHHAIUSA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1COCCN1C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001573850894 950279231 /nfs/dbraw/zinc/27/92/31/950279231.db2.gz NYGWRVHIPSYFHW-LSDHHAIUSA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574158519 950280220 /nfs/dbraw/zinc/28/02/20/950280220.db2.gz CCNAYMYABUWNFT-AAEUAGOBSA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574158519 950280242 /nfs/dbraw/zinc/28/02/42/950280242.db2.gz CCNAYMYABUWNFT-AAEUAGOBSA-N -1 3 390.423 0.622 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1conc1C1CC1 ZINC001574987196 950283394 /nfs/dbraw/zinc/28/33/94/950283394.db2.gz AGEKFIAFTSUEDH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1conc1C1CC1 ZINC001574987196 950283418 /nfs/dbraw/zinc/28/34/18/950283418.db2.gz AGEKFIAFTSUEDH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@]1(C(=O)NCC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575592441 950285047 /nfs/dbraw/zinc/28/50/47/950285047.db2.gz ARQKMMCTHVYMDN-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)NCC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575592441 950285069 /nfs/dbraw/zinc/28/50/69/950285069.db2.gz ARQKMMCTHVYMDN-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2n(n1)CCC2 ZINC001574742452 950286795 /nfs/dbraw/zinc/28/67/95/950286795.db2.gz LHZHXCNYKAKTFL-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2n(n1)CCC2 ZINC001574742452 950286807 /nfs/dbraw/zinc/28/68/07/950286807.db2.gz LHZHXCNYKAKTFL-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@]1(C(=O)NCC[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575592444 950288042 /nfs/dbraw/zinc/28/80/42/950288042.db2.gz ARQKMMCTHVYMDN-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NCC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575592444 950288060 /nfs/dbraw/zinc/28/80/60/950288060.db2.gz ARQKMMCTHVYMDN-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1ccnc1 ZINC001574498879 950288476 /nfs/dbraw/zinc/28/84/76/950288476.db2.gz QRYGZQMFQNNIRH-PWSUYJOCSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1ccnc1 ZINC001574498879 950288494 /nfs/dbraw/zinc/28/84/94/950288494.db2.gz QRYGZQMFQNNIRH-PWSUYJOCSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2COCCN2c2ncc(-c3nnn[n-]3)cc2F)CCOC1 ZINC001575592597 950289931 /nfs/dbraw/zinc/28/99/31/950289931.db2.gz CEEOUTUNVMFCNK-SJCJKPOMSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2COCCN2c2ncc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001575592597 950289951 /nfs/dbraw/zinc/28/99/51/950289951.db2.gz CEEOUTUNVMFCNK-SJCJKPOMSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cnn(C)c1Cl ZINC001574987440 950290263 /nfs/dbraw/zinc/29/02/63/950290263.db2.gz DFBSMXDJHSAZCA-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cnn(C)c1Cl ZINC001574987440 950290276 /nfs/dbraw/zinc/29/02/76/950290276.db2.gz DFBSMXDJHSAZCA-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1ccnc1 ZINC001574498877 950291434 /nfs/dbraw/zinc/29/14/34/950291434.db2.gz QRYGZQMFQNNIRH-CMPLNLGQSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1ccnc1 ZINC001574498877 950291458 /nfs/dbraw/zinc/29/14/58/950291458.db2.gz QRYGZQMFQNNIRH-CMPLNLGQSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccc(F)cn1 ZINC001574742543 950291663 /nfs/dbraw/zinc/29/16/63/950291663.db2.gz NBDVMSHAGWYZGU-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccc(F)cn1 ZINC001574742543 950291682 /nfs/dbraw/zinc/29/16/82/950291682.db2.gz NBDVMSHAGWYZGU-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)CCOC1 ZINC001575592833 950295934 /nfs/dbraw/zinc/29/59/34/950295934.db2.gz CKPKFGBXDNJWGO-YVEFUNNKSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)CCOC1 ZINC001575592833 950295952 /nfs/dbraw/zinc/29/59/52/950295952.db2.gz CKPKFGBXDNJWGO-YVEFUNNKSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@@]1(C(=O)NCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575592801 950297960 /nfs/dbraw/zinc/29/79/60/950297960.db2.gz KQVZCUPMPJQAAW-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCOC1 ZINC001575592801 950297988 /nfs/dbraw/zinc/29/79/88/950297988.db2.gz KQVZCUPMPJQAAW-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cnc2n1CCC2 ZINC001574987820 950303766 /nfs/dbraw/zinc/30/37/66/950303766.db2.gz HTLLJFJVOSQVBM-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cnc2n1CCC2 ZINC001574987820 950303791 /nfs/dbraw/zinc/30/37/91/950303791.db2.gz HTLLJFJVOSQVBM-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cscn1 ZINC001574742742 950304904 /nfs/dbraw/zinc/30/49/04/950304904.db2.gz PPXVQIHRIORRQD-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cscn1 ZINC001574742742 950304924 /nfs/dbraw/zinc/30/49/24/950304924.db2.gz PPXVQIHRIORRQD-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574499724 950306127 /nfs/dbraw/zinc/30/61/27/950306127.db2.gz WJXWMFQOVISEOA-PNESKVBLSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574499724 950306150 /nfs/dbraw/zinc/30/61/50/950306150.db2.gz WJXWMFQOVISEOA-PNESKVBLSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1nccn1C ZINC001574742796 950306927 /nfs/dbraw/zinc/30/69/27/950306927.db2.gz QYJCTHQUGUARPI-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1nccn1C ZINC001574742796 950306949 /nfs/dbraw/zinc/30/69/49/950306949.db2.gz QYJCTHQUGUARPI-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@H]1CCCOC1 ZINC001574988024 950307297 /nfs/dbraw/zinc/30/72/97/950307297.db2.gz KZNNNTZQJBFNQW-QWHCGFSZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@H]1CCCOC1 ZINC001574988024 950307315 /nfs/dbraw/zinc/30/73/15/950307315.db2.gz KZNNNTZQJBFNQW-QWHCGFSZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)[C@H](CO)C1 ZINC001573852772 950311454 /nfs/dbraw/zinc/31/14/54/950311454.db2.gz JBROOZXZIPUCDL-LBPRGKRZSA-N -1 3 389.416 0.316 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)[C@H](CO)C1 ZINC001573852772 950311473 /nfs/dbraw/zinc/31/14/73/950311473.db2.gz JBROOZXZIPUCDL-LBPRGKRZSA-N -1 3 389.416 0.316 20 0 GCADHM C[C@@]1(C(=O)NCC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC(=O)C1 ZINC001575593345 950312693 /nfs/dbraw/zinc/31/26/93/950312693.db2.gz FPNQSZVLXMIHJT-QGZVFWFLSA-N -1 3 389.485 0.393 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576193678 950313945 /nfs/dbraw/zinc/31/39/45/950313945.db2.gz VFNGJWQVOJDDHH-ZJUUUORDSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576193678 950313964 /nfs/dbraw/zinc/31/39/64/950313964.db2.gz VFNGJWQVOJDDHH-ZJUUUORDSA-N -1 3 385.388 0.106 20 0 GCADHM CC(C)(C)OC(=O)N1CC(O)(C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)C1 ZINC001573853168 950315426 /nfs/dbraw/zinc/31/54/26/950315426.db2.gz MMMWDESBTPBNGV-UHFFFAOYSA-N -1 3 390.404 0.388 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574501100 950316860 /nfs/dbraw/zinc/31/68/60/950316860.db2.gz BHHOSHGKNVFLIX-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574501100 950316880 /nfs/dbraw/zinc/31/68/80/950316880.db2.gz BHHOSHGKNVFLIX-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574501092 950319913 /nfs/dbraw/zinc/31/99/13/950319913.db2.gz BAAVWZRTUIUZSJ-UWVGGRQHSA-N -1 3 378.462 0.066 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574501092 950319936 /nfs/dbraw/zinc/31/99/36/950319936.db2.gz BAAVWZRTUIUZSJ-UWVGGRQHSA-N -1 3 378.462 0.066 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)c1cccnc1 ZINC001574743422 950325797 /nfs/dbraw/zinc/32/57/97/950325797.db2.gz SPKVEKVIKVWBHQ-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)c1cccnc1 ZINC001574743422 950325816 /nfs/dbraw/zinc/32/58/16/950325816.db2.gz SPKVEKVIKVWBHQ-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)CCOC1 ZINC001575594036 950330130 /nfs/dbraw/zinc/33/01/30/950330130.db2.gz JCWIXDHLQWWPIV-VQIMIIECSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)CCOC1 ZINC001575594036 950330151 /nfs/dbraw/zinc/33/01/51/950330151.db2.gz JCWIXDHLQWWPIV-VQIMIIECSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574743694 950331516 /nfs/dbraw/zinc/33/15/16/950331516.db2.gz VMGWMWMDZXGULV-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CC12CCOCC2 ZINC001574743694 950331536 /nfs/dbraw/zinc/33/15/36/950331536.db2.gz VMGWMWMDZXGULV-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574501644 950336445 /nfs/dbraw/zinc/33/64/45/950336445.db2.gz FSHSCTXBAPXGDV-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574501644 950336462 /nfs/dbraw/zinc/33/64/62/950336462.db2.gz FSHSCTXBAPXGDV-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)CCCOC1 ZINC001575594615 950339403 /nfs/dbraw/zinc/33/94/03/950339403.db2.gz KYFZYRWPVWRDIH-KDOFPFPSSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)CCCOC1 ZINC001575594615 950339422 /nfs/dbraw/zinc/33/94/22/950339422.db2.gz KYFZYRWPVWRDIH-KDOFPFPSSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCCO2)CCOC1 ZINC001575594729 950341094 /nfs/dbraw/zinc/34/10/94/950341094.db2.gz LZWBICKZJRPRSA-KSSFIOAISA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCCO2)CCOC1 ZINC001575594729 950341115 /nfs/dbraw/zinc/34/11/15/950341115.db2.gz LZWBICKZJRPRSA-KSSFIOAISA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194448 950341301 /nfs/dbraw/zinc/34/13/01/950341301.db2.gz ZZPJVSVLYMVQMT-QWHCGFSZSA-N -1 3 382.432 0.450 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001575594740 950342062 /nfs/dbraw/zinc/34/20/62/950342062.db2.gz MBCPJJLEFQVTFR-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001575594740 950342074 /nfs/dbraw/zinc/34/20/74/950342074.db2.gz MBCPJJLEFQVTFR-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CC(=O)NCC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)NC(N)=O ZINC001574501676 950342966 /nfs/dbraw/zinc/34/29/66/950342966.db2.gz GCGLGDDIZMGLNI-SNVBAGLBSA-N -1 3 390.423 0.001 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573854669 950342999 /nfs/dbraw/zinc/34/29/99/950342999.db2.gz AZVFKVQHPPVDGZ-SMDDNHRTSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576194360 950343910 /nfs/dbraw/zinc/34/39/10/950343910.db2.gz ZJEQWPDLZVJNJY-MFKMUULPSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576194360 950343925 /nfs/dbraw/zinc/34/39/25/950343925.db2.gz ZJEQWPDLZVJNJY-MFKMUULPSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCCO2)CCOC1 ZINC001575594732 950344829 /nfs/dbraw/zinc/34/48/29/950344829.db2.gz LZWBICKZJRPRSA-RDTXWAMCSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCCO2)CCOC1 ZINC001575594732 950344845 /nfs/dbraw/zinc/34/48/45/950344845.db2.gz LZWBICKZJRPRSA-RDTXWAMCSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H](C)n1cccn1 ZINC001574988684 950345447 /nfs/dbraw/zinc/34/54/47/950345447.db2.gz UIKXKHHTNDHETG-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H](C)n1cccn1 ZINC001574988684 950345465 /nfs/dbraw/zinc/34/54/65/950345465.db2.gz UIKXKHHTNDHETG-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1c(F)cncc1F ZINC001574988799 950347518 /nfs/dbraw/zinc/34/75/18/950347518.db2.gz VDWFFRSPYAELSD-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1c(F)cncc1F ZINC001574988799 950347527 /nfs/dbraw/zinc/34/75/27/950347527.db2.gz VDWFFRSPYAELSD-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCCOCC1 ZINC001574744280 950347429 /nfs/dbraw/zinc/34/74/29/950347429.db2.gz YGECUBFRGOHRMO-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCOCC1 ZINC001574744280 950347454 /nfs/dbraw/zinc/34/74/54/950347454.db2.gz YGECUBFRGOHRMO-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576194478 950347759 /nfs/dbraw/zinc/34/77/59/950347759.db2.gz ZHADCLONMFNPMU-GHMZBOCLSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576194478 950347779 /nfs/dbraw/zinc/34/77/79/950347779.db2.gz ZHADCLONMFNPMU-GHMZBOCLSA-N -1 3 383.416 0.446 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574160862 950348455 /nfs/dbraw/zinc/34/84/55/950348455.db2.gz PRJQTAYZCHHKGC-STQMWFEESA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574160862 950348473 /nfs/dbraw/zinc/34/84/73/950348473.db2.gz PRJQTAYZCHHKGC-STQMWFEESA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574160646 950348899 /nfs/dbraw/zinc/34/88/99/950348899.db2.gz PRJQTAYZCHHKGC-CHWSQXEVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574160646 950348916 /nfs/dbraw/zinc/34/89/16/950348916.db2.gz PRJQTAYZCHHKGC-CHWSQXEVSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001574501949 950349079 /nfs/dbraw/zinc/34/90/79/950349079.db2.gz HWMIRHDNMSPHCA-RISCZKNCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001574501949 950349105 /nfs/dbraw/zinc/34/91/05/950349105.db2.gz HWMIRHDNMSPHCA-RISCZKNCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574744224 950350347 /nfs/dbraw/zinc/35/03/47/950350347.db2.gz XYVOAKJDFKLCKV-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C)nc1Cl ZINC001574744224 950350363 /nfs/dbraw/zinc/35/03/63/950350363.db2.gz XYVOAKJDFKLCKV-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H](C)CC(N)=O ZINC001574160971 950351463 /nfs/dbraw/zinc/35/14/63/950351463.db2.gz RXFRDAXCBVCRJJ-CMPLNLGQSA-N -1 3 392.439 0.855 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H](C)CC(N)=O ZINC001574160971 950351484 /nfs/dbraw/zinc/35/14/84/950351484.db2.gz RXFRDAXCBVCRJJ-CMPLNLGQSA-N -1 3 392.439 0.855 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573854831 950352254 /nfs/dbraw/zinc/35/22/54/950352254.db2.gz GKLLMUOEPMRMRF-TXEJJXNPSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573854831 950352274 /nfs/dbraw/zinc/35/22/74/950352274.db2.gz GKLLMUOEPMRMRF-TXEJJXNPSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001574988953 950352719 /nfs/dbraw/zinc/35/27/19/950352719.db2.gz WTBQJWJYZPNWRH-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001574988953 950352734 /nfs/dbraw/zinc/35/27/34/950352734.db2.gz WTBQJWJYZPNWRH-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001574988951 950354529 /nfs/dbraw/zinc/35/45/29/950354529.db2.gz WTBQJWJYZPNWRH-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001574988951 950354547 /nfs/dbraw/zinc/35/45/47/950354547.db2.gz WTBQJWJYZPNWRH-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001574988956 950355419 /nfs/dbraw/zinc/35/54/19/950355419.db2.gz WTBQJWJYZPNWRH-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001574988956 950355435 /nfs/dbraw/zinc/35/54/35/950355435.db2.gz WTBQJWJYZPNWRH-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574502112 950356252 /nfs/dbraw/zinc/35/62/52/950356252.db2.gz JDJLKRYGLBVUES-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574502112 950356275 /nfs/dbraw/zinc/35/62/75/950356275.db2.gz JDJLKRYGLBVUES-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574502109 950357751 /nfs/dbraw/zinc/35/77/51/950357751.db2.gz JDJLKRYGLBVUES-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574502109 950357776 /nfs/dbraw/zinc/35/77/76/950357776.db2.gz JDJLKRYGLBVUES-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1cncn1 ZINC001574161461 950357659 /nfs/dbraw/zinc/35/76/59/950357659.db2.gz URJAQVLDULCIFE-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1cncn1 ZINC001574161461 950357672 /nfs/dbraw/zinc/35/76/72/950357672.db2.gz URJAQVLDULCIFE-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H](C)NC(N)=O ZINC001574161323 950360640 /nfs/dbraw/zinc/36/06/40/950360640.db2.gz SZQWEDHPDYTUBB-WDEREUQCSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H](C)NC(N)=O ZINC001574161323 950360659 /nfs/dbraw/zinc/36/06/59/950360659.db2.gz SZQWEDHPDYTUBB-WDEREUQCSA-N -1 3 375.437 0.261 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001574989440 950362565 /nfs/dbraw/zinc/36/25/65/950362565.db2.gz ZGYNCGHHUWDVGO-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001574989440 950362587 /nfs/dbraw/zinc/36/25/87/950362587.db2.gz ZGYNCGHHUWDVGO-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001573855199 950363229 /nfs/dbraw/zinc/36/32/29/950363229.db2.gz LIIKNNAJYGLIEH-BXUZGUMPSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001573855202 950363801 /nfs/dbraw/zinc/36/38/01/950363801.db2.gz LIIKNNAJYGLIEH-SMDDNHRTSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1=O ZINC001573855201 950364336 /nfs/dbraw/zinc/36/43/36/950364336.db2.gz LIIKNNAJYGLIEH-RISCZKNCSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574502207 950365981 /nfs/dbraw/zinc/36/59/81/950365981.db2.gz KMIBDUPDERWGJD-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908374 950366340 /nfs/dbraw/zinc/36/63/40/950366340.db2.gz BNLZXJVUKZJPPV-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908374 950366360 /nfs/dbraw/zinc/36/63/60/950366360.db2.gz BNLZXJVUKZJPPV-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1=O ZINC001573855346 950368969 /nfs/dbraw/zinc/36/89/69/950368969.db2.gz REMFIEDFZQLTIK-JSGCOSHPSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1=O ZINC001573855346 950368991 /nfs/dbraw/zinc/36/89/91/950368991.db2.gz REMFIEDFZQLTIK-JSGCOSHPSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C2CC2)n[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574744989 950371661 /nfs/dbraw/zinc/37/16/61/950371661.db2.gz DRUFKPPAWYYJSJ-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574745151 950372746 /nfs/dbraw/zinc/37/27/46/950372746.db2.gz FYMAOPGDMDIIIK-SECBINFHSA-N -1 3 387.379 0.067 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574745151 950372769 /nfs/dbraw/zinc/37/27/69/950372769.db2.gz FYMAOPGDMDIIIK-SECBINFHSA-N -1 3 387.379 0.067 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001573855389 950372898 /nfs/dbraw/zinc/37/28/98/950372898.db2.gz SMSJESGUXVFRFO-JSGCOSHPSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1ncc(Cl)n1C ZINC001574745138 950374526 /nfs/dbraw/zinc/37/45/26/950374526.db2.gz FMPRDVHDGDWXDG-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1ccc(F)cc1 ZINC001574990599 950374832 /nfs/dbraw/zinc/37/48/32/950374832.db2.gz DGOCPKICPWQOMP-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1ccc(F)cc1 ZINC001574990599 950374853 /nfs/dbraw/zinc/37/48/53/950374853.db2.gz DGOCPKICPWQOMP-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574745194 950379315 /nfs/dbraw/zinc/37/93/15/950379315.db2.gz GVWFFLYDNWTTCW-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574745194 950379337 /nfs/dbraw/zinc/37/93/37/950379337.db2.gz GVWFFLYDNWTTCW-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1=O ZINC001573855508 950379436 /nfs/dbraw/zinc/37/94/36/950379436.db2.gz WLANWRTWGQGNNE-AWEZNQCLSA-N -1 3 386.460 0.352 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1=O ZINC001573855508 950379454 /nfs/dbraw/zinc/37/94/54/950379454.db2.gz WLANWRTWGQGNNE-AWEZNQCLSA-N -1 3 386.460 0.352 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574162434 950379700 /nfs/dbraw/zinc/37/97/00/950379700.db2.gz AMXBIGHOYJSCOJ-LLVKDONJSA-N -1 3 383.416 0.602 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574162434 950379721 /nfs/dbraw/zinc/37/97/21/950379721.db2.gz AMXBIGHOYJSCOJ-LLVKDONJSA-N -1 3 383.416 0.602 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1coc(C2CC2)n1 ZINC001574745821 950385226 /nfs/dbraw/zinc/38/52/26/950385226.db2.gz KTJPQOYOAYYZEH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1coc(C2CC2)n1 ZINC001574745821 950385246 /nfs/dbraw/zinc/38/52/46/950385246.db2.gz KTJPQOYOAYYZEH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)C1CCOCC1 ZINC001574991149 950387019 /nfs/dbraw/zinc/38/70/19/950387019.db2.gz HVNGJRPOOLHPFL-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)C1CCOCC1 ZINC001574991149 950387037 /nfs/dbraw/zinc/38/70/37/950387037.db2.gz HVNGJRPOOLHPFL-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCCCO1 ZINC001574991162 950387233 /nfs/dbraw/zinc/38/72/33/950387233.db2.gz HZEMLMXALZBZCJ-YPMHNXCESA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCCCO1 ZINC001574991162 950387255 /nfs/dbraw/zinc/38/72/55/950387255.db2.gz HZEMLMXALZBZCJ-YPMHNXCESA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574991151 950387637 /nfs/dbraw/zinc/38/76/37/950387637.db2.gz HVNGJRPOOLHPFL-QWRGUYRKSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574991151 950387658 /nfs/dbraw/zinc/38/76/58/950387658.db2.gz HVNGJRPOOLHPFL-QWRGUYRKSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574502694 950388507 /nfs/dbraw/zinc/38/85/07/950388507.db2.gz QIDACVFLIGIGTG-NWDGAFQWSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574502694 950388526 /nfs/dbraw/zinc/38/85/26/950388526.db2.gz QIDACVFLIGIGTG-NWDGAFQWSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nc(C(F)F)no1 ZINC001574991131 950389374 /nfs/dbraw/zinc/38/93/74/950389374.db2.gz HEVKEKSOKXTITE-SSDOTTSWSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nc(C(F)F)no1 ZINC001574991131 950389394 /nfs/dbraw/zinc/38/93/94/950389394.db2.gz HEVKEKSOKXTITE-SSDOTTSWSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574745870 950389330 /nfs/dbraw/zinc/38/93/30/950389330.db2.gz LHQMGDRNIGIVEE-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C2CC2)on1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574745870 950389352 /nfs/dbraw/zinc/38/93/52/950389352.db2.gz LHQMGDRNIGIVEE-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CCNC1=O ZINC001575597003 950391076 /nfs/dbraw/zinc/39/10/76/950391076.db2.gz KZVFWLRRRYOUHS-NSTVUXKKSA-N -1 3 388.407 0.234 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CCNC1=O ZINC001575597003 950391097 /nfs/dbraw/zinc/39/10/97/950391097.db2.gz KZVFWLRRRYOUHS-NSTVUXKKSA-N -1 3 388.407 0.234 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)CCCOC1 ZINC001575596985 950391349 /nfs/dbraw/zinc/39/13/49/950391349.db2.gz WPWIWYJUHZQQLO-FZKQIMNGSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)CCCOC1 ZINC001575596985 950391380 /nfs/dbraw/zinc/39/13/80/950391380.db2.gz WPWIWYJUHZQQLO-FZKQIMNGSA-N -1 3 387.444 0.400 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001573856612 950391482 /nfs/dbraw/zinc/39/14/82/950391482.db2.gz FZPCWUAATCVWNU-UONOGXRCSA-N -1 3 388.428 0.824 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001573856612 950391506 /nfs/dbraw/zinc/39/15/06/950391506.db2.gz FZPCWUAATCVWNU-UONOGXRCSA-N -1 3 388.428 0.824 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001573856758 950393129 /nfs/dbraw/zinc/39/31/29/950393129.db2.gz HXCFJKOHJDDAOH-GFCCVEGCSA-N -1 3 390.400 0.913 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccncc1 ZINC001574502904 950395096 /nfs/dbraw/zinc/39/50/96/950395096.db2.gz RUZHKRJKAOOIKW-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccncc1 ZINC001574502904 950395120 /nfs/dbraw/zinc/39/51/20/950395120.db2.gz RUZHKRJKAOOIKW-LBPRGKRZSA-N -1 3 382.428 0.972 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)CCOCC1 ZINC001575596937 950395585 /nfs/dbraw/zinc/39/55/85/950395585.db2.gz WIRMBSRQTUVLMD-CYBMUJFWSA-N -1 3 387.444 0.400 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)CCOCC1 ZINC001575596937 950395607 /nfs/dbraw/zinc/39/56/07/950395607.db2.gz WIRMBSRQTUVLMD-CYBMUJFWSA-N -1 3 387.444 0.400 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cn2)CO1 ZINC001573856761 950395857 /nfs/dbraw/zinc/39/58/57/950395857.db2.gz HXSHEOOSYIEYQW-GFCCVEGCSA-N -1 3 390.404 0.612 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cn2)CO1 ZINC001573856761 950395878 /nfs/dbraw/zinc/39/58/78/950395878.db2.gz HXSHEOOSYIEYQW-GFCCVEGCSA-N -1 3 390.404 0.612 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574503070 950399723 /nfs/dbraw/zinc/39/97/23/950399723.db2.gz SXLZIZMGSAZSSI-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574503070 950399741 /nfs/dbraw/zinc/39/97/41/950399741.db2.gz SXLZIZMGSAZSSI-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574503269 950404323 /nfs/dbraw/zinc/40/43/23/950404323.db2.gz UCWJNOHRMJLZGV-GXFFZTMASA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574503269 950404337 /nfs/dbraw/zinc/40/43/37/950404337.db2.gz UCWJNOHRMJLZGV-GXFFZTMASA-N -1 3 390.423 0.143 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575597228 950404656 /nfs/dbraw/zinc/40/46/56/950404656.db2.gz ZFYGXULGMDKCOE-KDOFPFPSSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575597228 950404672 /nfs/dbraw/zinc/40/46/72/950404672.db2.gz ZFYGXULGMDKCOE-KDOFPFPSSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCc1cccnc1 ZINC001574991444 950404790 /nfs/dbraw/zinc/40/47/90/950404790.db2.gz LSYJEFDNCVCFLA-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCc1cccnc1 ZINC001574991444 950404811 /nfs/dbraw/zinc/40/48/11/950404811.db2.gz LSYJEFDNCVCFLA-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574747550 950410893 /nfs/dbraw/zinc/41/08/93/950410893.db2.gz UCBDSFHLIDTASF-SNVBAGLBSA-N -1 3 386.420 0.279 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574747550 950410913 /nfs/dbraw/zinc/41/09/13/950410913.db2.gz UCBDSFHLIDTASF-SNVBAGLBSA-N -1 3 386.420 0.279 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574503634 950412626 /nfs/dbraw/zinc/41/26/26/950412626.db2.gz YDHWLJAGAYRYOX-XHDPSFHLSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574503634 950412649 /nfs/dbraw/zinc/41/26/49/950412649.db2.gz YDHWLJAGAYRYOX-XHDPSFHLSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001574503631 950413037 /nfs/dbraw/zinc/41/30/37/950413037.db2.gz YDHWLJAGAYRYOX-ABAIWWIYSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001574503631 950413054 /nfs/dbraw/zinc/41/30/54/950413054.db2.gz YDHWLJAGAYRYOX-ABAIWWIYSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1Cc2ccncc2C1 ZINC001574991681 950418005 /nfs/dbraw/zinc/41/80/05/950418005.db2.gz QYARPCYTQJJJNI-ZYHUDNBSSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1Cc2ccncc2C1 ZINC001574991681 950418019 /nfs/dbraw/zinc/41/80/19/950418019.db2.gz QYARPCYTQJJJNI-ZYHUDNBSSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1noc2c1COCC2 ZINC001574747764 950418976 /nfs/dbraw/zinc/41/89/76/950418976.db2.gz WYXGTXQGOXWCEV-JTQLQIEISA-N -1 3 386.416 0.506 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1noc2c1COCC2 ZINC001574747764 950418986 /nfs/dbraw/zinc/41/89/86/950418986.db2.gz WYXGTXQGOXWCEV-JTQLQIEISA-N -1 3 386.416 0.506 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001574503672 950419070 /nfs/dbraw/zinc/41/90/70/950419070.db2.gz YQOHNQHWQFGCFU-NSHDSACASA-N -1 3 385.432 0.310 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001574503672 950419083 /nfs/dbraw/zinc/41/90/83/950419083.db2.gz YQOHNQHWQFGCFU-NSHDSACASA-N -1 3 385.432 0.310 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CC1 ZINC001574503944 950419437 /nfs/dbraw/zinc/41/94/37/950419437.db2.gz YYAOXRIYUIAREJ-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CC1 ZINC001574503944 950419447 /nfs/dbraw/zinc/41/94/47/950419447.db2.gz YYAOXRIYUIAREJ-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC001574991832 950420725 /nfs/dbraw/zinc/42/07/25/950420725.db2.gz SJQPCYWWKJTECP-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)Oc1cccnc1 ZINC001574991832 950420743 /nfs/dbraw/zinc/42/07/43/950420743.db2.gz SJQPCYWWKJTECP-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)CCc1c[nH]cn1 ZINC001574163254 950423143 /nfs/dbraw/zinc/42/31/43/950423143.db2.gz RNBYBSBJBYCGTE-ZDUSSCGKSA-N -1 3 384.448 0.955 20 0 GCADHM CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)CCc1c[nH]cn1 ZINC001574163254 950423154 /nfs/dbraw/zinc/42/31/54/950423154.db2.gz RNBYBSBJBYCGTE-ZDUSSCGKSA-N -1 3 384.448 0.955 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574503995 950423325 /nfs/dbraw/zinc/42/33/25/950423325.db2.gz ZEHLLVQIECBMKZ-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574503995 950423339 /nfs/dbraw/zinc/42/33/39/950423339.db2.gz ZEHLLVQIECBMKZ-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1(c2cccnc2)CC1 ZINC001574991873 950423578 /nfs/dbraw/zinc/42/35/78/950423578.db2.gz SVLHBNSSTVQUOM-NSHDSACASA-N -1 3 380.412 0.556 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1(c2cccnc2)CC1 ZINC001574991873 950423592 /nfs/dbraw/zinc/42/35/92/950423592.db2.gz SVLHBNSSTVQUOM-NSHDSACASA-N -1 3 380.412 0.556 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574991964 950427581 /nfs/dbraw/zinc/42/75/81/950427581.db2.gz UIUCQDQPGJKGOG-MWLCHTKSSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574991964 950427592 /nfs/dbraw/zinc/42/75/92/950427592.db2.gz UIUCQDQPGJKGOG-MWLCHTKSSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCC(=O)NC1 ZINC001575599168 950428326 /nfs/dbraw/zinc/42/83/26/950428326.db2.gz FXSGBENSKHFNIR-PIGZYNQJSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCC(=O)NC1 ZINC001575599168 950428341 /nfs/dbraw/zinc/42/83/41/950428341.db2.gz FXSGBENSKHFNIR-PIGZYNQJSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccn2nnnc2c1 ZINC001575910702 950430854 /nfs/dbraw/zinc/43/08/54/950430854.db2.gz AWBVDIRKFSGNDA-ZWNOBZJWSA-N -1 3 391.399 0.415 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccn2nnnc2c1 ZINC001575910702 950430870 /nfs/dbraw/zinc/43/08/70/950430870.db2.gz AWBVDIRKFSGNDA-ZWNOBZJWSA-N -1 3 391.399 0.415 20 0 GCADHM C[C@]1(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CCNC(=O)C1 ZINC001575599498 950431730 /nfs/dbraw/zinc/43/17/30/950431730.db2.gz KYILPMANPKKOBA-SFHVURJKSA-N -1 3 380.412 0.789 20 0 GCADHM C[C@]1(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CCNC(=O)C1 ZINC001575599498 950431744 /nfs/dbraw/zinc/43/17/44/950431744.db2.gz KYILPMANPKKOBA-SFHVURJKSA-N -1 3 380.412 0.789 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)c1ccnn1C ZINC001574750593 950434022 /nfs/dbraw/zinc/43/40/22/950434022.db2.gz DFZJVZKZRNLWJY-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)c1ccnn1C ZINC001574750593 950434037 /nfs/dbraw/zinc/43/40/37/950434037.db2.gz DFZJVZKZRNLWJY-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(Cl)no1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574750658 950436053 /nfs/dbraw/zinc/43/60/53/950436053.db2.gz FODMFRRVQXOKEQ-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(Cl)no1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574750658 950436069 /nfs/dbraw/zinc/43/60/69/950436069.db2.gz FODMFRRVQXOKEQ-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001574992157 950436735 /nfs/dbraw/zinc/43/67/35/950436735.db2.gz XWXCCRIFTSYSTK-ONGXEEELSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575911189 950437153 /nfs/dbraw/zinc/43/71/53/950437153.db2.gz NFEOQRFZXKAQLW-JSGCOSHPSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575911189 950437178 /nfs/dbraw/zinc/43/71/78/950437178.db2.gz NFEOQRFZXKAQLW-JSGCOSHPSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H](CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574506632 950437613 /nfs/dbraw/zinc/43/76/13/950437613.db2.gz AYSQZXSUBBVYMI-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574506632 950437629 /nfs/dbraw/zinc/43/76/29/950437629.db2.gz AYSQZXSUBBVYMI-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)n1ccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574506648 950438312 /nfs/dbraw/zinc/43/83/12/950438312.db2.gz BFAKBKXMIUIXCH-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)n1ccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574506648 950438326 /nfs/dbraw/zinc/43/83/26/950438326.db2.gz BFAKBKXMIUIXCH-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001573861098 950441594 /nfs/dbraw/zinc/44/15/94/950441594.db2.gz SQNUNRJDRVOZLW-KGLIPLIRSA-N -1 3 388.428 0.856 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001573861098 950441604 /nfs/dbraw/zinc/44/16/04/950441604.db2.gz SQNUNRJDRVOZLW-KGLIPLIRSA-N -1 3 388.428 0.856 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574506823 950444162 /nfs/dbraw/zinc/44/41/62/950444162.db2.gz GLPUBOLAWSMWHL-UPJWGTAASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574506823 950444178 /nfs/dbraw/zinc/44/41/78/950444178.db2.gz GLPUBOLAWSMWHL-UPJWGTAASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001574750874 950444457 /nfs/dbraw/zinc/44/44/57/950444457.db2.gz IJNBDAYPTMQLPH-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001574750874 950444474 /nfs/dbraw/zinc/44/44/74/950444474.db2.gz IJNBDAYPTMQLPH-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574750779 950445179 /nfs/dbraw/zinc/44/51/79/950445179.db2.gz HTTMOGHADRFPLI-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574750779 950445195 /nfs/dbraw/zinc/44/51/95/950445195.db2.gz HTTMOGHADRFPLI-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574506852 950446548 /nfs/dbraw/zinc/44/65/48/950446548.db2.gz HGJAUCOXWLTAID-GMTAPVOTSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574506852 950446563 /nfs/dbraw/zinc/44/65/63/950446563.db2.gz HGJAUCOXWLTAID-GMTAPVOTSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCCO1 ZINC001574750982 950448250 /nfs/dbraw/zinc/44/82/50/950448250.db2.gz JYYDSUYTZNLMIW-NEPJUHHUSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCCO1 ZINC001574750982 950448261 /nfs/dbraw/zinc/44/82/61/950448261.db2.gz JYYDSUYTZNLMIW-NEPJUHHUSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(Cl)no1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574750877 950448543 /nfs/dbraw/zinc/44/85/43/950448543.db2.gz IJTZNJHPDFXPBS-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(Cl)no1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574750877 950448559 /nfs/dbraw/zinc/44/85/59/950448559.db2.gz IJTZNJHPDFXPBS-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccn2c1CCCC2 ZINC001574992508 950451420 /nfs/dbraw/zinc/45/14/20/950451420.db2.gz DWKOPJIKTDUARC-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccn2c1CCCC2 ZINC001574992508 950451436 /nfs/dbraw/zinc/45/14/36/950451436.db2.gz DWKOPJIKTDUARC-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574992460 950452040 /nfs/dbraw/zinc/45/20/40/950452040.db2.gz CUPJQIBYJSTLEM-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574992460 950452055 /nfs/dbraw/zinc/45/20/55/950452055.db2.gz CUPJQIBYJSTLEM-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574507430 950454130 /nfs/dbraw/zinc/45/41/30/950454130.db2.gz IVZWXTBBDKUXML-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575911901 950457883 /nfs/dbraw/zinc/45/78/83/950457883.db2.gz FREUHDGQACBIOD-JOYOIKCWSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575911901 950457897 /nfs/dbraw/zinc/45/78/97/950457897.db2.gz FREUHDGQACBIOD-JOYOIKCWSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccn(C)n1 ZINC001574751480 950459958 /nfs/dbraw/zinc/45/99/58/950459958.db2.gz OGFSIZWVHBSGKU-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccn(C)n1 ZINC001574751480 950459983 /nfs/dbraw/zinc/45/99/83/950459983.db2.gz OGFSIZWVHBSGKU-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1c(F)cccc1F ZINC001574993532 950461547 /nfs/dbraw/zinc/46/15/47/950461547.db2.gz KUVCCVOCNAQLCV-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1c(F)cccc1F ZINC001574993532 950461561 /nfs/dbraw/zinc/46/15/61/950461561.db2.gz KUVCCVOCNAQLCV-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnn1C1CCC1 ZINC001574993184 950462191 /nfs/dbraw/zinc/46/21/91/950462191.db2.gz KENUKZYKGFVEBN-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnn1C1CCC1 ZINC001574993184 950462205 /nfs/dbraw/zinc/46/22/05/950462205.db2.gz KENUKZYKGFVEBN-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575912237 950464199 /nfs/dbraw/zinc/46/41/99/950464199.db2.gz QYFKMGQVQMTTCT-FZMZJTMJSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575912237 950464212 /nfs/dbraw/zinc/46/42/12/950464212.db2.gz QYFKMGQVQMTTCT-FZMZJTMJSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCC1CCOCC1 ZINC001574751663 950465693 /nfs/dbraw/zinc/46/56/93/950465693.db2.gz QAQUJNHHUUCWIQ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCC1CCOCC1 ZINC001574751663 950465698 /nfs/dbraw/zinc/46/56/98/950465698.db2.gz QAQUJNHHUUCWIQ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)CC(F)(F)C1 ZINC001575605691 950477601 /nfs/dbraw/zinc/47/76/01/950477601.db2.gz UMSZYSZRPJIINE-MNOVXSKESA-N -1 3 379.371 0.363 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)CC(F)(F)C1 ZINC001575605691 950477617 /nfs/dbraw/zinc/47/76/17/950477617.db2.gz UMSZYSZRPJIINE-MNOVXSKESA-N -1 3 379.371 0.363 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574994439 950479074 /nfs/dbraw/zinc/47/90/74/950479074.db2.gz QZSXKBAYJVQJMS-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574994439 950479084 /nfs/dbraw/zinc/47/90/84/950479084.db2.gz QZSXKBAYJVQJMS-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574994455 950479108 /nfs/dbraw/zinc/47/91/08/950479108.db2.gz RHZXGZSTOOSRHY-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574994455 950479117 /nfs/dbraw/zinc/47/91/17/950479117.db2.gz RHZXGZSTOOSRHY-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccnc1N(C)C ZINC001574994465 950480120 /nfs/dbraw/zinc/48/01/20/950480120.db2.gz RNQZULSPFNHOBH-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccnc1N(C)C ZINC001574994465 950480131 /nfs/dbraw/zinc/48/01/31/950480131.db2.gz RNQZULSPFNHOBH-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574752370 950480504 /nfs/dbraw/zinc/48/05/04/950480504.db2.gz VXSXAMJPWVWUPR-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574752370 950480518 /nfs/dbraw/zinc/48/05/18/950480518.db2.gz VXSXAMJPWVWUPR-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM CC(C)CCC(=O)N(C)CCN1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574167337 950481570 /nfs/dbraw/zinc/48/15/70/950481570.db2.gz ATOGRERYOKCBSZ-UHFFFAOYSA-N -1 3 387.492 0.673 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574994510 950485138 /nfs/dbraw/zinc/48/51/38/950485138.db2.gz SFOZTQUJVAKNLL-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccn(C(C)(C)C)n1 ZINC001574994510 950485151 /nfs/dbraw/zinc/48/51/51/950485151.db2.gz SFOZTQUJVAKNLL-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccn2ccccc12 ZINC001574994579 950489841 /nfs/dbraw/zinc/48/98/41/950489841.db2.gz UXEUEWZUEGIRLT-NSHDSACASA-N -1 3 378.396 0.996 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccn2ccccc12 ZINC001574994579 950489852 /nfs/dbraw/zinc/48/98/52/950489852.db2.gz UXEUEWZUEGIRLT-NSHDSACASA-N -1 3 378.396 0.996 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2O)CCCOC1 ZINC001575605911 950491593 /nfs/dbraw/zinc/49/15/93/950491593.db2.gz ZWVXSBRCZBYNFR-IGCXYCKISA-N -1 3 392.485 0.406 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2O)CCCOC1 ZINC001575605911 950491607 /nfs/dbraw/zinc/49/16/07/950491607.db2.gz ZWVXSBRCZBYNFR-IGCXYCKISA-N -1 3 392.485 0.406 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574752628 950491873 /nfs/dbraw/zinc/49/18/73/950491873.db2.gz DPSDAPOBPAUSHP-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574752628 950491884 /nfs/dbraw/zinc/49/18/84/950491884.db2.gz DPSDAPOBPAUSHP-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc2n1CCCC2 ZINC001574994665 950492798 /nfs/dbraw/zinc/49/27/98/950492798.db2.gz WMXDOOHLSMUUTN-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc2n1CCCC2 ZINC001574994665 950492811 /nfs/dbraw/zinc/49/28/11/950492811.db2.gz WMXDOOHLSMUUTN-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM CC(C)CCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574167747 950493639 /nfs/dbraw/zinc/49/36/39/950493639.db2.gz IBVKLVIPVZEMNR-CYBMUJFWSA-N -1 3 377.449 0.522 20 0 GCADHM CC(C)CCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574167747 950493651 /nfs/dbraw/zinc/49/36/51/950493651.db2.gz IBVKLVIPVZEMNR-CYBMUJFWSA-N -1 3 377.449 0.522 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)CCNC1=O ZINC001575606587 950493933 /nfs/dbraw/zinc/49/39/33/950493933.db2.gz AGRRIEKZCABHKI-KCWFYHRYSA-N -1 3 390.835 0.500 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)CCNC1=O ZINC001575606587 950493948 /nfs/dbraw/zinc/49/39/48/950493948.db2.gz AGRRIEKZCABHKI-KCWFYHRYSA-N -1 3 390.835 0.500 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573864134 950496785 /nfs/dbraw/zinc/49/67/85/950496785.db2.gz ZXTDBOBEULFOHM-PHIMTYICSA-N -1 3 380.430 0.660 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573864134 950496797 /nfs/dbraw/zinc/49/67/97/950496797.db2.gz ZXTDBOBEULFOHM-PHIMTYICSA-N -1 3 380.430 0.660 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn2c(n1)CCC2 ZINC001574752810 950498024 /nfs/dbraw/zinc/49/80/24/950498024.db2.gz AOQOUFYTNGRKJK-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn2c(n1)CCC2 ZINC001574752810 950498033 /nfs/dbraw/zinc/49/80/33/950498033.db2.gz AOQOUFYTNGRKJK-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575607053 950498346 /nfs/dbraw/zinc/49/83/46/950498346.db2.gz FWGXNWQIEGQRDZ-SEDUGSJDSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575607053 950498356 /nfs/dbraw/zinc/49/83/56/950498356.db2.gz FWGXNWQIEGQRDZ-SEDUGSJDSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573866488 950505791 /nfs/dbraw/zinc/50/57/91/950505791.db2.gz DVKLADWGDONKDW-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573866488 950505808 /nfs/dbraw/zinc/50/58/08/950505808.db2.gz DVKLADWGDONKDW-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574995334 950507720 /nfs/dbraw/zinc/50/77/20/950507720.db2.gz YTLYLAVDGOHTCR-JTQLQIEISA-N -1 3 383.416 0.203 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1cc(C2CC2)cn1 ZINC001574995334 950507730 /nfs/dbraw/zinc/50/77/30/950507730.db2.gz YTLYLAVDGOHTCR-JTQLQIEISA-N -1 3 383.416 0.203 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574752970 950508335 /nfs/dbraw/zinc/50/83/35/950508335.db2.gz HIVIZKCATZJJET-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574752970 950508359 /nfs/dbraw/zinc/50/83/59/950508359.db2.gz HIVIZKCATZJJET-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575915321 950510861 /nfs/dbraw/zinc/51/08/61/950510861.db2.gz MRTILPZFEHBQQH-GXFFZTMASA-N -1 3 391.457 0.098 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575915321 950510876 /nfs/dbraw/zinc/51/08/76/950510876.db2.gz MRTILPZFEHBQQH-GXFFZTMASA-N -1 3 391.457 0.098 20 0 GCADHM C[C@H]1CCN(CC(=O)N[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C(C)(C)C)C1 ZINC001576205336 950511388 /nfs/dbraw/zinc/51/13/88/950511388.db2.gz XLYDEDSLTYIHKT-STQMWFEESA-N -1 3 387.492 0.363 20 0 GCADHM C[C@@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574509512 950513384 /nfs/dbraw/zinc/51/33/84/950513384.db2.gz WGJIXMQKEYVZPT-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574509512 950513406 /nfs/dbraw/zinc/51/34/06/950513406.db2.gz WGJIXMQKEYVZPT-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574753252 950516884 /nfs/dbraw/zinc/51/68/84/950516884.db2.gz DTEJWMVBZRBLLF-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574753252 950516905 /nfs/dbraw/zinc/51/69/05/950516905.db2.gz DTEJWMVBZRBLLF-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573867102 950520384 /nfs/dbraw/zinc/52/03/84/950520384.db2.gz PJEMMUBWOAKKSW-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573867102 950520396 /nfs/dbraw/zinc/52/03/96/950520396.db2.gz PJEMMUBWOAKKSW-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573866972 950520741 /nfs/dbraw/zinc/52/07/41/950520741.db2.gz OTYYCOIHCYHMDH-UHFFFAOYSA-N -1 3 375.433 0.684 20 0 GCADHM CC(C)(C)OCC(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573866972 950520748 /nfs/dbraw/zinc/52/07/48/950520748.db2.gz OTYYCOIHCYHMDH-UHFFFAOYSA-N -1 3 375.433 0.684 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573867123 950523579 /nfs/dbraw/zinc/52/35/79/950523579.db2.gz PSUPEUFRWSCDRR-XYYAHUGASA-N -1 3 387.444 0.444 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573867123 950523592 /nfs/dbraw/zinc/52/35/92/950523592.db2.gz PSUPEUFRWSCDRR-XYYAHUGASA-N -1 3 387.444 0.444 20 0 GCADHM CCOC(=O)c1ccc(F)c(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)c1 ZINC000285296189 950524717 /nfs/dbraw/zinc/52/47/17/950524717.db2.gz XTTNSUYNOGLMOL-UHFFFAOYSA-N -1 3 388.417 0.830 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575614417 950529657 /nfs/dbraw/zinc/52/96/57/950529657.db2.gz BOWPCQVDCWKPLC-BVSJBKOGSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575614417 950529672 /nfs/dbraw/zinc/52/96/72/950529672.db2.gz BOWPCQVDCWKPLC-BVSJBKOGSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@H](CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574509792 950530687 /nfs/dbraw/zinc/53/06/87/950530687.db2.gz XJPWUCVYZWUKIY-LBPRGKRZSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@@H](CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574509792 950530705 /nfs/dbraw/zinc/53/07/05/950530705.db2.gz XJPWUCVYZWUKIY-LBPRGKRZSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@H]1[C@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575916376 950534675 /nfs/dbraw/zinc/53/46/75/950534675.db2.gz YWRRLNMNWAJXPX-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575916376 950534687 /nfs/dbraw/zinc/53/46/87/950534687.db2.gz YWRRLNMNWAJXPX-JOYOIKCWSA-N -1 3 383.416 0.848 20 0 GCADHM CC1CCN(CC(=O)NC[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001576205710 950535320 /nfs/dbraw/zinc/53/53/20/950535320.db2.gz NHJZJTQTJSLWGI-AWEZNQCLSA-N -1 3 385.476 0.331 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573868493 950540496 /nfs/dbraw/zinc/54/04/96/950540496.db2.gz CMJPZBQKBQNYMY-BXUZGUMPSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573868493 950540517 /nfs/dbraw/zinc/54/05/17/950540517.db2.gz CMJPZBQKBQNYMY-BXUZGUMPSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)C1CC1 ZINC001574510904 950550444 /nfs/dbraw/zinc/55/04/44/950550444.db2.gz DIXVMDJEBJNMBE-CUOATXAZSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)C1CC1 ZINC001574510904 950550451 /nfs/dbraw/zinc/55/04/51/950550451.db2.gz DIXVMDJEBJNMBE-CUOATXAZSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575916788 950551774 /nfs/dbraw/zinc/55/17/74/950551774.db2.gz RYIPTDSFDSIPCP-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575916788 950551786 /nfs/dbraw/zinc/55/17/86/950551786.db2.gz RYIPTDSFDSIPCP-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2n(n1)CCC2 ZINC001574754002 950553049 /nfs/dbraw/zinc/55/30/49/950553049.db2.gz JMBWWMMJJAJCPJ-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2n(n1)CCC2 ZINC001574754002 950553062 /nfs/dbraw/zinc/55/30/62/950553062.db2.gz JMBWWMMJJAJCPJ-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001573869127 950558413 /nfs/dbraw/zinc/55/84/13/950558413.db2.gz KTPPLTYSAMYDNM-TZMCWYRMSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001573869127 950558426 /nfs/dbraw/zinc/55/84/26/950558426.db2.gz KTPPLTYSAMYDNM-TZMCWYRMSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001574171448 950559730 /nfs/dbraw/zinc/55/97/30/950559730.db2.gz QFCRNYKAMBUYSW-SMDDNHRTSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001574171448 950559750 /nfs/dbraw/zinc/55/97/50/950559750.db2.gz QFCRNYKAMBUYSW-SMDDNHRTSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575917209 950559767 /nfs/dbraw/zinc/55/97/67/950559767.db2.gz VHZKYZYAHLZILC-PWSUYJOCSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575917209 950559788 /nfs/dbraw/zinc/55/97/88/950559788.db2.gz VHZKYZYAHLZILC-PWSUYJOCSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)CCNC(=O)C1 ZINC001575614982 950560296 /nfs/dbraw/zinc/56/02/96/950560296.db2.gz XRZSLQRWANFYRN-WFTYINRHSA-N -1 3 396.455 0.404 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)CCNC(=O)C1 ZINC001575614982 950560314 /nfs/dbraw/zinc/56/03/14/950560314.db2.gz XRZSLQRWANFYRN-WFTYINRHSA-N -1 3 396.455 0.404 20 0 GCADHM CC1CCN(CC(=O)NC[C@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576206065 950560839 /nfs/dbraw/zinc/56/08/39/950560839.db2.gz UDPGCJLBCOHORA-CQSZACIVSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCN1CCOCC1 ZINC001575917322 950564817 /nfs/dbraw/zinc/56/48/17/950564817.db2.gz WKIHEPUVYCTFDD-HIFRSBDPSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCN1CCOCC1 ZINC001575917322 950564831 /nfs/dbraw/zinc/56/48/31/950564831.db2.gz WKIHEPUVYCTFDD-HIFRSBDPSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574999061 950569949 /nfs/dbraw/zinc/56/99/49/950569949.db2.gz FLUBSGSQKGHYJX-QMMMGPOBSA-N -1 3 387.379 0.306 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574999061 950569981 /nfs/dbraw/zinc/56/99/81/950569981.db2.gz FLUBSGSQKGHYJX-QMMMGPOBSA-N -1 3 387.379 0.306 20 0 GCADHM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001573869582 950571942 /nfs/dbraw/zinc/57/19/42/950571942.db2.gz QXMQYFNSQWPTQD-UHFFFAOYSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001573869582 950571961 /nfs/dbraw/zinc/57/19/61/950571961.db2.gz QXMQYFNSQWPTQD-UHFFFAOYSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574999252 950574864 /nfs/dbraw/zinc/57/48/64/950574864.db2.gz HWNOQNLCCMQVKF-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)n[nH]1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574999252 950574897 /nfs/dbraw/zinc/57/48/97/950574897.db2.gz HWNOQNLCCMQVKF-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM CC1CCN(CC(=O)NC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C2CC2)CC1 ZINC001576206647 950575729 /nfs/dbraw/zinc/57/57/29/950575729.db2.gz YOKKMZWBEDQREB-AWEZNQCLSA-N -1 3 385.476 0.695 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573869907 950576167 /nfs/dbraw/zinc/57/61/67/950576167.db2.gz RIMVLABMJAEFLO-BZPMIXESSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573869907 950576179 /nfs/dbraw/zinc/57/61/79/950576179.db2.gz RIMVLABMJAEFLO-BZPMIXESSA-N -1 3 387.444 0.872 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1ccncc1 ZINC001574511915 950577567 /nfs/dbraw/zinc/57/75/67/950577567.db2.gz WEZAJXKRVJFPNM-WQVCFCJDSA-N -1 3 394.439 0.516 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1ccncc1 ZINC001574511915 950577583 /nfs/dbraw/zinc/57/75/83/950577583.db2.gz WEZAJXKRVJFPNM-WQVCFCJDSA-N -1 3 394.439 0.516 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1nccnc1-c1nn[n-]n1 ZINC001574999412 950581090 /nfs/dbraw/zinc/58/10/90/950581090.db2.gz JCSMNBOOURUNJA-SNVBAGLBSA-N -1 3 386.420 0.184 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917593 950586182 /nfs/dbraw/zinc/58/61/82/950586182.db2.gz ZSPLMAGHRDAPQH-CMPLNLGQSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917593 950586194 /nfs/dbraw/zinc/58/61/94/950586194.db2.gz ZSPLMAGHRDAPQH-CMPLNLGQSA-N -1 3 381.400 0.071 20 0 GCADHM CC(C)CCC(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574173051 950586884 /nfs/dbraw/zinc/58/68/84/950586884.db2.gz FEDDRCKUZILNKS-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)CCC(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574173051 950586897 /nfs/dbraw/zinc/58/68/97/950586897.db2.gz FEDDRCKUZILNKS-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001573870110 950587430 /nfs/dbraw/zinc/58/74/30/950587430.db2.gz DVLRGALHKWOJTC-UHFFFAOYSA-N -1 3 375.433 0.779 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001573870110 950587459 /nfs/dbraw/zinc/58/74/59/950587459.db2.gz DVLRGALHKWOJTC-UHFFFAOYSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ccc(F)cn1 ZINC001574755177 950589695 /nfs/dbraw/zinc/58/96/95/950589695.db2.gz SQDGMTIIKANDGO-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ccc(F)cn1 ZINC001574755177 950589707 /nfs/dbraw/zinc/58/97/07/950589707.db2.gz SQDGMTIIKANDGO-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573870337 950589798 /nfs/dbraw/zinc/58/97/98/950589798.db2.gz UZGKVTIYBXWSPG-ZDUSSCGKSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573870337 950589816 /nfs/dbraw/zinc/58/98/16/950589816.db2.gz UZGKVTIYBXWSPG-ZDUSSCGKSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)CCC(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574173164 950591526 /nfs/dbraw/zinc/59/15/26/950591526.db2.gz GRHWGWHWFJNQLK-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574173164 950591535 /nfs/dbraw/zinc/59/15/35/950591535.db2.gz GRHWGWHWFJNQLK-ZDUSSCGKSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc(C2CC2)o1 ZINC001574755751 950594317 /nfs/dbraw/zinc/59/43/17/950594317.db2.gz VFDOGVMQYVUCFG-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc(C2CC2)o1 ZINC001574755751 950594334 /nfs/dbraw/zinc/59/43/34/950594334.db2.gz VFDOGVMQYVUCFG-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574173155 950594738 /nfs/dbraw/zinc/59/47/38/950594738.db2.gz GLJDGENNEAQSCY-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574173155 950594755 /nfs/dbraw/zinc/59/47/55/950594755.db2.gz GLJDGENNEAQSCY-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575000049 950595337 /nfs/dbraw/zinc/59/53/37/950595337.db2.gz OQPXOQJYHCQVBE-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575000049 950595349 /nfs/dbraw/zinc/59/53/49/950595349.db2.gz OQPXOQJYHCQVBE-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)N[C@@H](C)c1nnnn1C1CC1 ZINC001574755765 950596746 /nfs/dbraw/zinc/59/67/46/950596746.db2.gz VMWSONXULDDQIK-UWVGGRQHSA-N -1 3 385.436 0.328 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574173618 950596903 /nfs/dbraw/zinc/59/69/03/950596903.db2.gz KFYLKZCBODBCMP-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574173618 950596919 /nfs/dbraw/zinc/59/69/19/950596919.db2.gz KFYLKZCBODBCMP-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCC(C)CC2)CCN1c1cncc(-c2nnn[n-]2)n1 ZINC001576207877 950598051 /nfs/dbraw/zinc/59/80/51/950598051.db2.gz KSWAKWGHYVDCNW-KGLIPLIRSA-N -1 3 385.476 0.472 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573870891 950603105 /nfs/dbraw/zinc/60/31/05/950603105.db2.gz ZHZSEKMMWRRION-SMDDNHRTSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573870891 950603117 /nfs/dbraw/zinc/60/31/17/950603117.db2.gz ZHZSEKMMWRRION-SMDDNHRTSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H]1[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CS(C)(=O)=O ZINC001575919004 950604837 /nfs/dbraw/zinc/60/48/37/950604837.db2.gz FJRGQHJFPMMGEX-ONGXEEELSA-N -1 3 382.421 0.452 20 0 GCADHM C[C@H]1[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CS(C)(=O)=O ZINC001575919004 950604853 /nfs/dbraw/zinc/60/48/53/950604853.db2.gz FJRGQHJFPMMGEX-ONGXEEELSA-N -1 3 382.421 0.452 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575000504 950607009 /nfs/dbraw/zinc/60/70/09/950607009.db2.gz QEFGTJMWQLCDFD-ZCFIWIBFSA-N -1 3 379.331 0.404 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575000504 950607020 /nfs/dbraw/zinc/60/70/20/950607020.db2.gz QEFGTJMWQLCDFD-ZCFIWIBFSA-N -1 3 379.331 0.404 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513542 950607830 /nfs/dbraw/zinc/60/78/30/950607830.db2.gz SLKGPSVZNWDODB-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513542 950607848 /nfs/dbraw/zinc/60/78/48/950607848.db2.gz SLKGPSVZNWDODB-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1(C)C ZINC001575618504 950614395 /nfs/dbraw/zinc/61/43/95/950614395.db2.gz JKSXOXVSLYTPTB-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1(C)C ZINC001575618504 950614410 /nfs/dbraw/zinc/61/44/10/950614410.db2.gz JKSXOXVSLYTPTB-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)C1(C)C ZINC001575619317 950621467 /nfs/dbraw/zinc/62/14/67/950621467.db2.gz OWXHFEYZASCCEO-NEPJUHHUSA-N -1 3 387.444 0.179 20 0 GCADHM CC1(C)C(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)C1(C)C ZINC001575619317 950621475 /nfs/dbraw/zinc/62/14/75/950621475.db2.gz OWXHFEYZASCCEO-NEPJUHHUSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573871717 950624450 /nfs/dbraw/zinc/62/44/50/950624450.db2.gz UKVFNEUHGKXUFB-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573871717 950624463 /nfs/dbraw/zinc/62/44/63/950624463.db2.gz UKVFNEUHGKXUFB-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001573871801 950627235 /nfs/dbraw/zinc/62/72/35/950627235.db2.gz WZNVPLQJBBMUKU-AWEZNQCLSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001573871801 950627247 /nfs/dbraw/zinc/62/72/47/950627247.db2.gz WZNVPLQJBBMUKU-AWEZNQCLSA-N -1 3 389.460 0.788 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575001568 950634911 /nfs/dbraw/zinc/63/49/11/950634911.db2.gz VRRBZUQGCBBOQH-SECBINFHSA-N -1 3 389.395 0.681 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575001568 950634925 /nfs/dbraw/zinc/63/49/25/950634925.db2.gz VRRBZUQGCBBOQH-SECBINFHSA-N -1 3 389.395 0.681 20 0 GCADHM C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575001542 950635794 /nfs/dbraw/zinc/63/57/94/950635794.db2.gz MWSMXOGGMMFKBL-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CNC(=O)c1cc2c([nH]1)CCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575001542 950635807 /nfs/dbraw/zinc/63/58/07/950635807.db2.gz MWSMXOGGMMFKBL-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)on1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575001645 950639011 /nfs/dbraw/zinc/63/90/11/950639011.db2.gz XARVUPSTDJIPKB-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)on1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575001645 950639025 /nfs/dbraw/zinc/63/90/25/950639025.db2.gz XARVUPSTDJIPKB-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1ccnc1 ZINC001574516970 950640294 /nfs/dbraw/zinc/64/02/94/950640294.db2.gz JJWBGOUDZUBUHG-YMEQNVIZSA-N -1 3 380.416 0.055 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)on1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575001644 950640330 /nfs/dbraw/zinc/64/03/30/950640330.db2.gz XARVUPSTDJIPKB-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)on1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575001644 950640342 /nfs/dbraw/zinc/64/03/42/950640342.db2.gz XARVUPSTDJIPKB-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574517694 950644512 /nfs/dbraw/zinc/64/45/12/950644512.db2.gz LMEWFQKYIRFSDW-BPGGGUHBSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574517694 950644528 /nfs/dbraw/zinc/64/45/28/950644528.db2.gz LMEWFQKYIRFSDW-BPGGGUHBSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574517698 950646066 /nfs/dbraw/zinc/64/60/66/950646066.db2.gz LMEWFQKYIRFSDW-MUYACECFSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574517698 950646074 /nfs/dbraw/zinc/64/60/74/950646074.db2.gz LMEWFQKYIRFSDW-MUYACECFSA-N -1 3 387.444 0.777 20 0 GCADHM CC(C)CCC(=O)NC1(CO)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574174780 950647691 /nfs/dbraw/zinc/64/76/91/950647691.db2.gz LCSQKJCYORQRMT-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)NC1(CO)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574174780 950647709 /nfs/dbraw/zinc/64/77/09/950647709.db2.gz LCSQKJCYORQRMT-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001573873652 950652621 /nfs/dbraw/zinc/65/26/21/950652621.db2.gz WOAWCTQUGKXALG-HUUCEWRRSA-N -1 3 392.435 0.482 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O ZINC001573873652 950652633 /nfs/dbraw/zinc/65/26/33/950652633.db2.gz WOAWCTQUGKXALG-HUUCEWRRSA-N -1 3 392.435 0.482 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001573873651 950653506 /nfs/dbraw/zinc/65/35/06/950653506.db2.gz WOAWCTQUGKXALG-CABCVRRESA-N -1 3 392.435 0.482 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001573873651 950653520 /nfs/dbraw/zinc/65/35/20/950653520.db2.gz WOAWCTQUGKXALG-CABCVRRESA-N -1 3 392.435 0.482 20 0 GCADHM C[C@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@H]1O ZINC001576214051 950654383 /nfs/dbraw/zinc/65/43/83/950654383.db2.gz LYYIWDFHOSRMFC-SWLSCSKDSA-N -1 3 382.428 0.694 20 0 GCADHM C[C@H]1CCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@H]1O ZINC001576214051 950654395 /nfs/dbraw/zinc/65/43/95/950654395.db2.gz LYYIWDFHOSRMFC-SWLSCSKDSA-N -1 3 382.428 0.694 20 0 GCADHM C[C@@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@H]1O ZINC001576214050 950655693 /nfs/dbraw/zinc/65/56/93/950655693.db2.gz LYYIWDFHOSRMFC-IUODEOHRSA-N -1 3 382.428 0.694 20 0 GCADHM C[C@@H]1CCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@H]1O ZINC001576214050 950655706 /nfs/dbraw/zinc/65/57/06/950655706.db2.gz LYYIWDFHOSRMFC-IUODEOHRSA-N -1 3 382.428 0.694 20 0 GCADHM C[C@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575002327 950660976 /nfs/dbraw/zinc/66/09/76/950660976.db2.gz SCVRKQFGZSKHPR-QGZVFWFLSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575002327 950660990 /nfs/dbraw/zinc/66/09/90/950660990.db2.gz SCVRKQFGZSKHPR-QGZVFWFLSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574760285 950664092 /nfs/dbraw/zinc/66/40/92/950664092.db2.gz IHDCDTWQMQTMAV-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574760285 950664105 /nfs/dbraw/zinc/66/41/05/950664105.db2.gz IHDCDTWQMQTMAV-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574760325 950665061 /nfs/dbraw/zinc/66/50/61/950665061.db2.gz IQQWVTDSTKYLAC-JTQLQIEISA-N -1 3 388.407 0.616 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574760325 950665075 /nfs/dbraw/zinc/66/50/75/950665075.db2.gz IQQWVTDSTKYLAC-JTQLQIEISA-N -1 3 388.407 0.616 20 0 GCADHM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575002537 950665282 /nfs/dbraw/zinc/66/52/82/950665282.db2.gz UZGBREFPISWFBM-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575002537 950665293 /nfs/dbraw/zinc/66/52/93/950665293.db2.gz UZGBREFPISWFBM-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574519135 950668810 /nfs/dbraw/zinc/66/88/10/950668810.db2.gz BOMBRBREVIWJQH-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574519135 950668821 /nfs/dbraw/zinc/66/88/21/950668821.db2.gz BOMBRBREVIWJQH-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn[nH]c(=O)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574760638 950671321 /nfs/dbraw/zinc/67/13/21/950671321.db2.gz KJMDYIMRVLPJKT-QMMMGPOBSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn[nH]c(=O)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574760638 950671335 /nfs/dbraw/zinc/67/13/35/950671335.db2.gz KJMDYIMRVLPJKT-QMMMGPOBSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574519155 950672002 /nfs/dbraw/zinc/67/20/02/950672002.db2.gz BVFYWBDNGBRLTP-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574519155 950672014 /nfs/dbraw/zinc/67/20/14/950672014.db2.gz BVFYWBDNGBRLTP-PWSUYJOCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cnccn1)C1CC1 ZINC001575005291 950677114 /nfs/dbraw/zinc/67/71/14/950677114.db2.gz AFUXUCVNOGVRHO-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cnccn1)C1CC1 ZINC001575005291 950677119 /nfs/dbraw/zinc/67/71/19/950677119.db2.gz AFUXUCVNOGVRHO-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574760668 950677585 /nfs/dbraw/zinc/67/75/85/950677585.db2.gz KYMXZHKONIJKJY-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574760668 950677592 /nfs/dbraw/zinc/67/75/92/950677592.db2.gz KYMXZHKONIJKJY-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574760676 950677848 /nfs/dbraw/zinc/67/78/48/950677848.db2.gz XPKUPRKASWVDLT-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574760676 950677859 /nfs/dbraw/zinc/67/78/59/950677859.db2.gz XPKUPRKASWVDLT-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncn1C ZINC001575925097 950681469 /nfs/dbraw/zinc/68/14/69/950681469.db2.gz GIFCVGHCPLWNBT-YPMHNXCESA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001576214884 950684560 /nfs/dbraw/zinc/68/45/60/950684560.db2.gz DDKQQQTUCMUNHO-MEDUHNTESA-N -1 3 381.444 0.903 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574519745 950696015 /nfs/dbraw/zinc/69/60/15/950696015.db2.gz HWNZFBVRYYKHOP-HONMWMINSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574519745 950696027 /nfs/dbraw/zinc/69/60/27/950696027.db2.gz HWNZFBVRYYKHOP-HONMWMINSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576215376 950697217 /nfs/dbraw/zinc/69/72/17/950697217.db2.gz ARUIDSGLQSLNDS-ZYHUDNBSSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576215376 950697231 /nfs/dbraw/zinc/69/72/31/950697231.db2.gz ARUIDSGLQSLNDS-ZYHUDNBSSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575005727 950699003 /nfs/dbraw/zinc/69/90/03/950699003.db2.gz LTKNLNXKCCSCIJ-XIKOKIGWSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001575005727 950699016 /nfs/dbraw/zinc/69/90/16/950699016.db2.gz LTKNLNXKCCSCIJ-XIKOKIGWSA-N -1 3 387.444 0.779 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575625880 950701751 /nfs/dbraw/zinc/70/17/51/950701751.db2.gz ZLODBSWIQMLUDV-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575625880 950701776 /nfs/dbraw/zinc/70/17/76/950701776.db2.gz ZLODBSWIQMLUDV-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574179535 950704642 /nfs/dbraw/zinc/70/46/42/950704642.db2.gz DGQGXUKITSFEBT-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574179535 950704653 /nfs/dbraw/zinc/70/46/53/950704653.db2.gz DGQGXUKITSFEBT-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575005860 950706176 /nfs/dbraw/zinc/70/61/76/950706176.db2.gz OVIAQGNVULFBPS-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575005860 950706190 /nfs/dbraw/zinc/70/61/90/950706190.db2.gz OVIAQGNVULFBPS-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM CC(C)CCC(=O)NCCN1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001574179662 950708317 /nfs/dbraw/zinc/70/83/17/950708317.db2.gz JGHLAVPYRNCEPA-UHFFFAOYSA-N -1 3 387.492 0.507 20 0 GCADHM CC(C)CCC(=O)NCCN1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574179662 950708332 /nfs/dbraw/zinc/70/83/32/950708332.db2.gz JGHLAVPYRNCEPA-UHFFFAOYSA-N -1 3 387.492 0.507 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn(CCF)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574763458 950714226 /nfs/dbraw/zinc/71/42/26/950714226.db2.gz BHGJDQIZWQKTLN-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn(CCF)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574763458 950714242 /nfs/dbraw/zinc/71/42/42/950714242.db2.gz BHGJDQIZWQKTLN-SNVBAGLBSA-N -1 3 389.395 0.251 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573878553 950714388 /nfs/dbraw/zinc/71/43/88/950714388.db2.gz UCRYVQDUMUVYEH-QJPTWQEYSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573878553 950714409 /nfs/dbraw/zinc/71/44/09/950714409.db2.gz UCRYVQDUMUVYEH-QJPTWQEYSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573878552 950715376 /nfs/dbraw/zinc/71/53/76/950715376.db2.gz UCRYVQDUMUVYEH-IJLUTSLNSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573878552 950715392 /nfs/dbraw/zinc/71/53/92/950715392.db2.gz UCRYVQDUMUVYEH-IJLUTSLNSA-N -1 3 375.433 0.084 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575006206 950715355 /nfs/dbraw/zinc/71/53/55/950715355.db2.gz SNOYMWJOLCXWSU-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575006206 950715372 /nfs/dbraw/zinc/71/53/72/950715372.db2.gz SNOYMWJOLCXWSU-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM CC(C)C(=O)N1C[C@H](C)O[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576215873 950715984 /nfs/dbraw/zinc/71/59/84/950715984.db2.gz CAEONNNYBCMQKH-KPZWWZAWSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)C(=O)N1C[C@H](C)O[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576215873 950715993 /nfs/dbraw/zinc/71/59/93/950715993.db2.gz CAEONNNYBCMQKH-KPZWWZAWSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ncccc1-c1nnn[n-]1 ZINC001574763494 950718442 /nfs/dbraw/zinc/71/84/42/950718442.db2.gz CEULWFZTBAPNCA-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ncccc1-c1nn[n-]n1 ZINC001574763494 950718459 /nfs/dbraw/zinc/71/84/59/950718459.db2.gz CEULWFZTBAPNCA-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574763578 950721333 /nfs/dbraw/zinc/72/13/33/950721333.db2.gz FKHKMQYGCLBNBW-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574763578 950721349 /nfs/dbraw/zinc/72/13/49/950721349.db2.gz FKHKMQYGCLBNBW-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574763665 950725106 /nfs/dbraw/zinc/72/51/06/950725106.db2.gz HQXYDACMBYKBRX-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574763665 950725118 /nfs/dbraw/zinc/72/51/18/950725118.db2.gz HQXYDACMBYKBRX-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)[nH]n1 ZINC001573879445 950725146 /nfs/dbraw/zinc/72/51/46/950725146.db2.gz BUBHCMMHYGAUOM-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)[nH]n1 ZINC001573879445 950725160 /nfs/dbraw/zinc/72/51/60/950725160.db2.gz BUBHCMMHYGAUOM-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574763661 950727551 /nfs/dbraw/zinc/72/75/51/950727551.db2.gz HPMOAUHKSLIHON-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574763661 950727561 /nfs/dbraw/zinc/72/75/61/950727561.db2.gz HPMOAUHKSLIHON-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)[nH]n1 ZINC001573879674 950728842 /nfs/dbraw/zinc/72/88/42/950728842.db2.gz IQEFTHNPDCVOIK-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)[nH]n1 ZINC001573879674 950728849 /nfs/dbraw/zinc/72/88/49/950728849.db2.gz IQEFTHNPDCVOIK-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)no1 ZINC001573879877 950731399 /nfs/dbraw/zinc/73/13/99/950731399.db2.gz MWZFGVOKBIWUNL-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)no1 ZINC001573879877 950731415 /nfs/dbraw/zinc/73/14/15/950731415.db2.gz MWZFGVOKBIWUNL-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001576216359 950731468 /nfs/dbraw/zinc/73/14/68/950731468.db2.gz HVMJAKCXPYPCCM-BZNIZROVSA-N -1 3 381.444 0.903 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001576216359 950731482 /nfs/dbraw/zinc/73/14/82/950731482.db2.gz HVMJAKCXPYPCCM-BZNIZROVSA-N -1 3 381.444 0.903 20 0 GCADHM CC(C)(C)c1cc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001573879886 950732654 /nfs/dbraw/zinc/73/26/54/950732654.db2.gz NHDGFPYEOCCUQL-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1cc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001573879886 950732672 /nfs/dbraw/zinc/73/26/72/950732672.db2.gz NHDGFPYEOCCUQL-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn(C)n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574763848 950736424 /nfs/dbraw/zinc/73/64/24/950736424.db2.gz MACRBJZQYUWWFX-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn(C)n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574763848 950736439 /nfs/dbraw/zinc/73/64/39/950736439.db2.gz MACRBJZQYUWWFX-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)[nH]n1 ZINC001573879942 950736726 /nfs/dbraw/zinc/73/67/26/950736726.db2.gz PKTAZQSOIIVXGZ-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)[nH]n1 ZINC001573879942 950736742 /nfs/dbraw/zinc/73/67/42/950736742.db2.gz PKTAZQSOIIVXGZ-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(CNC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001573880245 950739365 /nfs/dbraw/zinc/73/93/65/950739365.db2.gz VSIYJNASHMSJJN-NSHDSACASA-N -1 3 388.432 0.361 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cscn1 ZINC001575008388 950741159 /nfs/dbraw/zinc/74/11/59/950741159.db2.gz DWXIRODYZQSEPS-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cscn1 ZINC001575008388 950741167 /nfs/dbraw/zinc/74/11/67/950741167.db2.gz DWXIRODYZQSEPS-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576216662 950741405 /nfs/dbraw/zinc/74/14/05/950741405.db2.gz FEAVUHHXNATUCO-KWQFWETISA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576216662 950741419 /nfs/dbraw/zinc/74/14/19/950741419.db2.gz FEAVUHHXNATUCO-KWQFWETISA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001573880106 950741317 /nfs/dbraw/zinc/74/13/17/950741317.db2.gz SKZLLARWEQFLPK-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001573880106 950741333 /nfs/dbraw/zinc/74/13/33/950741333.db2.gz SKZLLARWEQFLPK-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)[nH]n1 ZINC001573880249 950741641 /nfs/dbraw/zinc/74/16/41/950741641.db2.gz VWPYJUBXVDEVBX-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)[nH]n1 ZINC001573880249 950741650 /nfs/dbraw/zinc/74/16/50/950741650.db2.gz VWPYJUBXVDEVBX-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001573880394 950745572 /nfs/dbraw/zinc/74/55/72/950745572.db2.gz YQLXCPWINUAXMU-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001573880394 950745581 /nfs/dbraw/zinc/74/55/81/950745581.db2.gz YQLXCPWINUAXMU-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C1(F)CCOCC1 ZINC001575008475 950745712 /nfs/dbraw/zinc/74/57/12/950745712.db2.gz FODOFKCGZVXORE-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C1(F)CCOCC1 ZINC001575008475 950745728 /nfs/dbraw/zinc/74/57/28/950745728.db2.gz FODOFKCGZVXORE-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001574181740 950746736 /nfs/dbraw/zinc/74/67/36/950746736.db2.gz PDPUZEZRIWKKRT-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001574181740 950746751 /nfs/dbraw/zinc/74/67/51/950746751.db2.gz PDPUZEZRIWKKRT-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1CCCOCC1 ZINC001575008463 950746923 /nfs/dbraw/zinc/74/69/23/950746923.db2.gz FJIUVNDJISFLHY-NWDGAFQWSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1CCCOCC1 ZINC001575008463 950746940 /nfs/dbraw/zinc/74/69/40/950746940.db2.gz FJIUVNDJISFLHY-NWDGAFQWSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001575008644 950750505 /nfs/dbraw/zinc/75/05/05/950750505.db2.gz GQJQWWSWFUQLOJ-MNOVXSKESA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001575008644 950750513 /nfs/dbraw/zinc/75/05/13/950750513.db2.gz GQJQWWSWFUQLOJ-MNOVXSKESA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COc1ccsc1 ZINC001575008693 950751930 /nfs/dbraw/zinc/75/19/30/950751930.db2.gz GWDWKIZPFQHQRP-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574764442 950752058 /nfs/dbraw/zinc/75/20/58/950752058.db2.gz SVIWHCISROHARJ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574764442 950752076 /nfs/dbraw/zinc/75/20/76/950752076.db2.gz SVIWHCISROHARJ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COc1ccsc1 ZINC001575008693 950751943 /nfs/dbraw/zinc/75/19/43/950751943.db2.gz GWDWKIZPFQHQRP-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574764505 950753284 /nfs/dbraw/zinc/75/32/84/950753284.db2.gz UPXWPAHJUJTNMQ-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574764505 950753299 /nfs/dbraw/zinc/75/32/99/950753299.db2.gz UPXWPAHJUJTNMQ-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001575008709 950753917 /nfs/dbraw/zinc/75/39/17/950753917.db2.gz HBBBPVPWUGLVCS-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001575008709 950753931 /nfs/dbraw/zinc/75/39/31/950753931.db2.gz HBBBPVPWUGLVCS-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001575008821 950758058 /nfs/dbraw/zinc/75/80/58/950758058.db2.gz ITPKTJDNJGNOEA-SNVBAGLBSA-N -1 3 385.432 0.378 20 0 GCADHM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1nccn1C ZINC001575927866 950759157 /nfs/dbraw/zinc/75/91/57/950759157.db2.gz VKGFCTVGTZBDTA-NWDGAFQWSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cnn2c1CCC2 ZINC001575008850 950761476 /nfs/dbraw/zinc/76/14/76/950761476.db2.gz JCXIHVAKDRDEIT-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cnn2c1CCC2 ZINC001575008850 950761487 /nfs/dbraw/zinc/76/14/87/950761487.db2.gz JCXIHVAKDRDEIT-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM CC1(C)CC(CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575630712 950765573 /nfs/dbraw/zinc/76/55/73/950765573.db2.gz FHYZDHBCKBQESL-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(CC(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575630712 950765592 /nfs/dbraw/zinc/76/55/92/950765592.db2.gz FHYZDHBCKBQESL-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cncs1 ZINC001574521116 950771151 /nfs/dbraw/zinc/77/11/51/950771151.db2.gz DDJXYVMOIAXKDH-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cncs1 ZINC001574521116 950771166 /nfs/dbraw/zinc/77/11/66/950771166.db2.gz DDJXYVMOIAXKDH-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)cn3)c2C1 ZINC001576217915 950772980 /nfs/dbraw/zinc/77/29/80/950772980.db2.gz PHIQCXPLHLKBNZ-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)cn3)c2C1 ZINC001576217915 950772994 /nfs/dbraw/zinc/77/29/94/950772994.db2.gz PHIQCXPLHLKBNZ-GFCCVEGCSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574765079 950773554 /nfs/dbraw/zinc/77/35/54/950773554.db2.gz DDMQCABNVKJLMQ-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cnn(C)c1 ZINC001574521351 950775102 /nfs/dbraw/zinc/77/51/02/950775102.db2.gz FPXLLJFIGUSJNE-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cnn(C)c1 ZINC001574521351 950775112 /nfs/dbraw/zinc/77/51/12/950775112.db2.gz FPXLLJFIGUSJNE-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM CC(C)(C)c1cnc(CNC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001573884019 950779681 /nfs/dbraw/zinc/77/96/81/950779681.db2.gz COMZUSBDGBLODL-NSHDSACASA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cnc(CNC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001573884019 950779695 /nfs/dbraw/zinc/77/96/95/950779695.db2.gz COMZUSBDGBLODL-NSHDSACASA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)CC[C@@H](C)NC(=O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574184440 950780518 /nfs/dbraw/zinc/78/05/18/950780518.db2.gz KAUWBZLWMUWNON-GFCCVEGCSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)CC[C@@H](C)NC(=O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574184440 950780535 /nfs/dbraw/zinc/78/05/35/950780535.db2.gz KAUWBZLWMUWNON-GFCCVEGCSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)(C)c1cnc(CN[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001573884066 950784017 /nfs/dbraw/zinc/78/40/17/950784017.db2.gz FVPICLPVNDKJNZ-LLVKDONJSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cnc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001573884066 950784028 /nfs/dbraw/zinc/78/40/28/950784028.db2.gz FVPICLPVNDKJNZ-LLVKDONJSA-N -1 3 388.432 0.361 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cnn(C)n1 ZINC001575929593 950787053 /nfs/dbraw/zinc/78/70/53/950787053.db2.gz CQZCZBPLEBBXFE-GZMMTYOYSA-N -1 3 388.823 0.759 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cnn(C)n1 ZINC001575929593 950787072 /nfs/dbraw/zinc/78/70/72/950787072.db2.gz CQZCZBPLEBBXFE-GZMMTYOYSA-N -1 3 388.823 0.759 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573884153 950787256 /nfs/dbraw/zinc/78/72/56/950787256.db2.gz AGVCGPBJBARQFY-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573884153 950787272 /nfs/dbraw/zinc/78/72/72/950787272.db2.gz AGVCGPBJBARQFY-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cnc(CNC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001573884152 950787398 /nfs/dbraw/zinc/78/73/98/950787398.db2.gz KDNRCBGHGKUAMU-JTQLQIEISA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cnc(CNC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001573884152 950787412 /nfs/dbraw/zinc/78/74/12/950787412.db2.gz KDNRCBGHGKUAMU-JTQLQIEISA-N -1 3 388.432 0.361 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001575009579 950787631 /nfs/dbraw/zinc/78/76/31/950787631.db2.gz VAHZTYXVQVLZIP-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001575009579 950787649 /nfs/dbraw/zinc/78/76/49/950787649.db2.gz VAHZTYXVQVLZIP-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCC[C@@H]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765381 950787926 /nfs/dbraw/zinc/78/79/26/950787926.db2.gz CIAICQQPUUFZNZ-STQMWFEESA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCC[C@@H]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765381 950787943 /nfs/dbraw/zinc/78/79/43/950787943.db2.gz CIAICQQPUUFZNZ-STQMWFEESA-N -1 3 388.476 0.646 20 0 GCADHM CC(C)(C)c1noc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573884249 950790106 /nfs/dbraw/zinc/79/01/06/950790106.db2.gz BSWQQKFFOROXNR-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573884249 950790128 /nfs/dbraw/zinc/79/01/28/950790128.db2.gz BSWQQKFFOROXNR-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)CCCC(N)=O ZINC001575930179 950791862 /nfs/dbraw/zinc/79/18/62/950791862.db2.gz DTMBFYDLOBVMIR-SKDRFNHKSA-N -1 3 392.851 0.972 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)CCCC(N)=O ZINC001575930179 950791880 /nfs/dbraw/zinc/79/18/80/950791880.db2.gz DTMBFYDLOBVMIR-SKDRFNHKSA-N -1 3 392.851 0.972 20 0 GCADHM CC1(C)CC(CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575632183 950792444 /nfs/dbraw/zinc/79/24/44/950792444.db2.gz DCXSOFDUAWRWPF-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(CC(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575632183 950792465 /nfs/dbraw/zinc/79/24/65/950792465.db2.gz DCXSOFDUAWRWPF-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001575009627 950792654 /nfs/dbraw/zinc/79/26/54/950792654.db2.gz VSLBBUSXHACZMJ-SNVBAGLBSA-N -1 3 382.428 0.808 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001575009627 950792673 /nfs/dbraw/zinc/79/26/73/950792673.db2.gz VSLBBUSXHACZMJ-SNVBAGLBSA-N -1 3 382.428 0.808 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573884551 950794905 /nfs/dbraw/zinc/79/49/05/950794905.db2.gz FEHZSBOPQCVMGC-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573884551 950794919 /nfs/dbraw/zinc/79/49/19/950794919.db2.gz FEHZSBOPQCVMGC-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575930575 950795553 /nfs/dbraw/zinc/79/55/53/950795553.db2.gz FLCYQRRWOGPNSI-PRHODGIISA-N -1 3 385.363 0.612 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575930575 950795569 /nfs/dbraw/zinc/79/55/69/950795569.db2.gz FLCYQRRWOGPNSI-PRHODGIISA-N -1 3 385.363 0.612 20 0 GCADHM CC1(C)CC(CC(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)C1 ZINC001575632274 950796293 /nfs/dbraw/zinc/79/62/93/950796293.db2.gz FZIBALZRTXJLRN-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(CC(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)C1 ZINC001575632274 950796314 /nfs/dbraw/zinc/79/63/14/950796314.db2.gz FZIBALZRTXJLRN-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575930570 950797315 /nfs/dbraw/zinc/79/73/15/950797315.db2.gz FLCYQRRWOGPNSI-PELKAZGASA-N -1 3 385.363 0.612 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575930570 950797329 /nfs/dbraw/zinc/79/73/29/950797329.db2.gz FLCYQRRWOGPNSI-PELKAZGASA-N -1 3 385.363 0.612 20 0 GCADHM CC1(C)CC(CC(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575632460 950801109 /nfs/dbraw/zinc/80/11/09/950801109.db2.gz IGOPAGRSCUNOOV-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575632460 950801127 /nfs/dbraw/zinc/80/11/27/950801127.db2.gz IGOPAGRSCUNOOV-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575632508 950801307 /nfs/dbraw/zinc/80/13/07/950801307.db2.gz KFMPAMPSHUKZBI-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575632508 950801329 /nfs/dbraw/zinc/80/13/29/950801329.db2.gz KFMPAMPSHUKZBI-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCCCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765950 950801871 /nfs/dbraw/zinc/80/18/71/950801871.db2.gz GTNYRIVBDRXNLY-ZDUSSCGKSA-N -1 3 388.476 0.648 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765950 950801890 /nfs/dbraw/zinc/80/18/90/950801890.db2.gz GTNYRIVBDRXNLY-ZDUSSCGKSA-N -1 3 388.476 0.648 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001573884669 950802801 /nfs/dbraw/zinc/80/28/01/950802801.db2.gz IEHDRFQIKISUGR-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001573884669 950802821 /nfs/dbraw/zinc/80/28/21/950802821.db2.gz IEHDRFQIKISUGR-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575632832 950807509 /nfs/dbraw/zinc/80/75/09/950807509.db2.gz OAJYIFNFMUCDTD-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575632832 950807526 /nfs/dbraw/zinc/80/75/26/950807526.db2.gz OAJYIFNFMUCDTD-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)C(=O)N1C[C@@H](C)O[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576219640 950808835 /nfs/dbraw/zinc/80/88/35/950808835.db2.gz OQAMYTYKGLREJD-XIKOKIGWSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)C(=O)N1C[C@@H](C)O[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576219640 950808854 /nfs/dbraw/zinc/80/88/54/950808854.db2.gz OQAMYTYKGLREJD-XIKOKIGWSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC(F)F ZINC001574523123 950809549 /nfs/dbraw/zinc/80/95/49/950809549.db2.gz MDYDIMPYYMEMLB-RKDXNWHRSA-N -1 3 385.375 0.490 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC(F)F ZINC001574523123 950809570 /nfs/dbraw/zinc/80/95/70/950809570.db2.gz MDYDIMPYYMEMLB-RKDXNWHRSA-N -1 3 385.375 0.490 20 0 GCADHM CC(C)C(=O)N1C[C@@H](C)O[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576219633 950810200 /nfs/dbraw/zinc/81/02/00/950810200.db2.gz OQAMYTYKGLREJD-KZULUSFZSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)C(=O)N1C[C@@H](C)O[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576219633 950810216 /nfs/dbraw/zinc/81/02/16/950810216.db2.gz OQAMYTYKGLREJD-KZULUSFZSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)C(=O)N1C[C@H](C)O[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576219630 950810264 /nfs/dbraw/zinc/81/02/64/950810264.db2.gz OQAMYTYKGLREJD-KPZWWZAWSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)C(=O)N1C[C@H](C)O[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576219630 950810283 /nfs/dbraw/zinc/81/02/83/950810283.db2.gz OQAMYTYKGLREJD-KPZWWZAWSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576219783 950812481 /nfs/dbraw/zinc/81/24/81/950812481.db2.gz UQBFEFONJRQVRW-BONVTDFDSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576220072 950819271 /nfs/dbraw/zinc/81/92/71/950819271.db2.gz QHDWVUPHRNIRHY-CMPLNLGQSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576220072 950819295 /nfs/dbraw/zinc/81/92/95/950819295.db2.gz QHDWVUPHRNIRHY-CMPLNLGQSA-N -1 3 382.432 0.616 20 0 GCADHM CC(C)(C)c1noc(CN2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573885398 950821205 /nfs/dbraw/zinc/82/12/05/950821205.db2.gz QSKRXGFRAMKLFF-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM CC(C)(C)c1noc(CN2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573885398 950821227 /nfs/dbraw/zinc/82/12/27/950821227.db2.gz QSKRXGFRAMKLFF-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM C[C@H](CN(C)CC(=O)Nc1nccs1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574766808 950826447 /nfs/dbraw/zinc/82/64/47/950826447.db2.gz LBHJBRUGVWMCOY-SECBINFHSA-N -1 3 389.445 0.340 20 0 GCADHM C[C@H](CN(C)CC(=O)Nc1nccs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766808 950826468 /nfs/dbraw/zinc/82/64/68/950826468.db2.gz LBHJBRUGVWMCOY-SECBINFHSA-N -1 3 389.445 0.340 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001573885520 950827506 /nfs/dbraw/zinc/82/75/06/950827506.db2.gz SYOKFNDRJRBRFV-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001573885520 950827535 /nfs/dbraw/zinc/82/75/35/950827535.db2.gz SYOKFNDRJRBRFV-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574766869 950830871 /nfs/dbraw/zinc/83/08/71/950830871.db2.gz NNYZKGPCHBUNFB-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574766869 950830901 /nfs/dbraw/zinc/83/09/01/950830901.db2.gz NNYZKGPCHBUNFB-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)Cn1cnnn1 ZINC001575932820 950832081 /nfs/dbraw/zinc/83/20/81/950832081.db2.gz NBXIPSNCODYHHA-KCJUWKMLSA-N -1 3 389.811 0.003 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cn1cnnn1 ZINC001575932820 950832107 /nfs/dbraw/zinc/83/21/07/950832107.db2.gz NBXIPSNCODYHHA-KCJUWKMLSA-N -1 3 389.811 0.003 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001573885838 950837866 /nfs/dbraw/zinc/83/78/66/950837866.db2.gz VIMMKKWNGQHJJZ-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001573885838 950837891 /nfs/dbraw/zinc/83/78/91/950837891.db2.gz VIMMKKWNGQHJJZ-NSHDSACASA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)CC(=O)Nc1nccs1 ZINC001575010998 950838297 /nfs/dbraw/zinc/83/82/97/950838297.db2.gz LBEVXCBYWKBOCJ-VIFPVBQESA-N -1 3 389.445 0.340 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)Nc1nccs1 ZINC001575010998 950838317 /nfs/dbraw/zinc/83/83/17/950838317.db2.gz LBEVXCBYWKBOCJ-VIFPVBQESA-N -1 3 389.445 0.340 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573885980 950838315 /nfs/dbraw/zinc/83/83/15/950838315.db2.gz ZQDYTQNWIZITLR-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573885980 950838338 /nfs/dbraw/zinc/83/83/38/950838338.db2.gz ZQDYTQNWIZITLR-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575011024 950842752 /nfs/dbraw/zinc/84/27/52/950842752.db2.gz LSLUOQYZZDNMBY-WDEREUQCSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575011024 950842769 /nfs/dbraw/zinc/84/27/69/950842769.db2.gz LSLUOQYZZDNMBY-WDEREUQCSA-N -1 3 385.432 0.042 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574188178 950845721 /nfs/dbraw/zinc/84/57/21/950845721.db2.gz SKGAQUCWBBTFSF-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574188178 950845739 /nfs/dbraw/zinc/84/57/39/950845739.db2.gz SKGAQUCWBBTFSF-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575933667 950846200 /nfs/dbraw/zinc/84/62/00/950846200.db2.gz PFCHLBHXBXKLLF-KWQFWETISA-N -1 3 387.379 0.555 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575933667 950846227 /nfs/dbraw/zinc/84/62/27/950846227.db2.gz PFCHLBHXBXKLLF-KWQFWETISA-N -1 3 387.379 0.555 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1nccnc1N ZINC001575934186 950849552 /nfs/dbraw/zinc/84/95/52/950849552.db2.gz QOSNKTBNPRFTNA-KWQFWETISA-N -1 3 384.379 0.488 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1nccnc1N ZINC001575934186 950849580 /nfs/dbraw/zinc/84/95/80/950849580.db2.gz QOSNKTBNPRFTNA-KWQFWETISA-N -1 3 384.379 0.488 20 0 GCADHM C[C@@H](CN(C)[C@@H](C)c1nnnn1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767507 950852667 /nfs/dbraw/zinc/85/26/67/950852667.db2.gz PEXRGRBOROPFBG-UWVGGRQHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H](CN(C)[C@@H](C)c1nnnn1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767507 950852698 /nfs/dbraw/zinc/85/26/98/950852698.db2.gz PEXRGRBOROPFBG-UWVGGRQHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1=COCCO1 ZINC001574524207 950853790 /nfs/dbraw/zinc/85/37/90/950853790.db2.gz UZHSZCJEVSTWMA-VHSXEESVSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1=COCCO1 ZINC001574524207 950853809 /nfs/dbraw/zinc/85/38/09/950853809.db2.gz UZHSZCJEVSTWMA-VHSXEESVSA-N -1 3 375.389 0.096 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573887715 950856851 /nfs/dbraw/zinc/85/68/51/950856851.db2.gz JTWNBMGKWQCUOP-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573887715 950856885 /nfs/dbraw/zinc/85/68/85/950856885.db2.gz JTWNBMGKWQCUOP-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc(C2CC2)on1 ZINC001575011371 950857797 /nfs/dbraw/zinc/85/77/97/950857797.db2.gz OKHQITYIPPNVEL-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc(C2CC2)on1 ZINC001575011371 950857808 /nfs/dbraw/zinc/85/78/08/950857808.db2.gz OKHQITYIPPNVEL-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCn1cncn1 ZINC001575934458 950859721 /nfs/dbraw/zinc/85/97/21/950859721.db2.gz RMLNZLZGGIIMJK-MFKMUULPSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCn1cncn1 ZINC001575934458 950859744 /nfs/dbraw/zinc/85/97/44/950859744.db2.gz RMLNZLZGGIIMJK-MFKMUULPSA-N -1 3 386.395 0.484 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573888147 950861212 /nfs/dbraw/zinc/86/12/12/950861212.db2.gz PGAIGHGWOCBAPN-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573888147 950861225 /nfs/dbraw/zinc/86/12/25/950861225.db2.gz PGAIGHGWOCBAPN-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1ocnc1C1CC1 ZINC001575011688 950861862 /nfs/dbraw/zinc/86/18/62/950861862.db2.gz RBLFBPORZRCYQS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1ocnc1C1CC1 ZINC001575011688 950861883 /nfs/dbraw/zinc/86/18/83/950861883.db2.gz RBLFBPORZRCYQS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574767681 950865556 /nfs/dbraw/zinc/86/55/56/950865556.db2.gz POJBAOJFKYSXBE-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767681 950865571 /nfs/dbraw/zinc/86/55/71/950865571.db2.gz POJBAOJFKYSXBE-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573888188 950865610 /nfs/dbraw/zinc/86/56/10/950865610.db2.gz ROGCEJAEESQWFF-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573888188 950865632 /nfs/dbraw/zinc/86/56/32/950865632.db2.gz ROGCEJAEESQWFF-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc(Cl)no1 ZINC001575011796 950867382 /nfs/dbraw/zinc/86/73/82/950867382.db2.gz SNFSFERTESLUSV-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc(Cl)no1 ZINC001575011796 950867396 /nfs/dbraw/zinc/86/73/96/950867396.db2.gz SNFSFERTESLUSV-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC1CCCCC1 ZINC001575011790 950868647 /nfs/dbraw/zinc/86/86/47/950868647.db2.gz SJLVUGUOWOCVBQ-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)c1cc(Cl)c(=O)[nH]n1 ZINC001575011980 950870189 /nfs/dbraw/zinc/87/01/89/950870189.db2.gz VBWSJEJMBZYIDM-SSDOTTSWSA-N -1 3 377.796 0.599 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)c1cc(Cl)c(=O)[nH]n1 ZINC001575011980 950870211 /nfs/dbraw/zinc/87/02/11/950870211.db2.gz VBWSJEJMBZYIDM-SSDOTTSWSA-N -1 3 377.796 0.599 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573888702 950875388 /nfs/dbraw/zinc/87/53/88/950875388.db2.gz YZCNNIMCWVUPFD-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573888702 950875395 /nfs/dbraw/zinc/87/53/95/950875395.db2.gz YZCNNIMCWVUPFD-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM C[C@@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767948 950876672 /nfs/dbraw/zinc/87/66/72/950876672.db2.gz VMNQMCJLMDURBH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767948 950876687 /nfs/dbraw/zinc/87/66/87/950876687.db2.gz VMNQMCJLMDURBH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nc(CC2CC2)no1 ZINC001575012109 950878221 /nfs/dbraw/zinc/87/82/21/950878221.db2.gz WNRYOJOCJFMTIL-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nc(CC2CC2)no1 ZINC001575012109 950878238 /nfs/dbraw/zinc/87/82/38/950878238.db2.gz WNRYOJOCJFMTIL-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)(C)n1ncnc1CN[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573893385 950880665 /nfs/dbraw/zinc/88/06/65/950880665.db2.gz CWQHOFWWROFMGQ-NSHDSACASA-N -1 3 384.448 0.546 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C(C)(C)C1CCOCC1 ZINC001575012270 950881900 /nfs/dbraw/zinc/88/19/00/950881900.db2.gz XSCIZYDBGUVMTO-NSHDSACASA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)C1CCOCC1 ZINC001575012270 950881911 /nfs/dbraw/zinc/88/19/11/950881911.db2.gz XSCIZYDBGUVMTO-NSHDSACASA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)n1nnc(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CC2)n1 ZINC001573893446 950884267 /nfs/dbraw/zinc/88/42/67/950884267.db2.gz GGVKFQJCAABITC-UHFFFAOYSA-N -1 3 383.420 0.378 20 0 GCADHM CC(C)(C)n1nnc(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CC2)n1 ZINC001573893446 950884285 /nfs/dbraw/zinc/88/42/85/950884285.db2.gz GGVKFQJCAABITC-UHFFFAOYSA-N -1 3 383.420 0.378 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574527437 950884743 /nfs/dbraw/zinc/88/47/43/950884743.db2.gz BQURTUNNDAECHL-UWVGGRQHSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574527437 950884765 /nfs/dbraw/zinc/88/47/65/950884765.db2.gz BQURTUNNDAECHL-UWVGGRQHSA-N -1 3 384.400 0.622 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893470 950884912 /nfs/dbraw/zinc/88/49/12/950884912.db2.gz HOWWYPYWRYQLOC-NSHDSACASA-N -1 3 383.420 0.012 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893470 950884944 /nfs/dbraw/zinc/88/49/44/950884944.db2.gz HOWWYPYWRYQLOC-NSHDSACASA-N -1 3 383.420 0.012 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCCC[C@H]1C ZINC001575012325 950885161 /nfs/dbraw/zinc/88/51/61/950885161.db2.gz YSJQLCFCUPQIIG-OLZOCXBDSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nc(C2CC2)nn1C ZINC001575012292 950886062 /nfs/dbraw/zinc/88/60/62/950886062.db2.gz YEXZVMPDCQLGFF-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nc(C2CC2)nn1C ZINC001575012292 950886078 /nfs/dbraw/zinc/88/60/78/950886078.db2.gz YEXZVMPDCQLGFF-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCCC[C@@H]1C ZINC001575012327 950886199 /nfs/dbraw/zinc/88/61/99/950886199.db2.gz YSJQLCFCUPQIIG-QWHCGFSZSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cnnn1C ZINC001575935593 950888692 /nfs/dbraw/zinc/88/86/92/950888692.db2.gz YHAUTRKFDZOKAM-KWQFWETISA-N -1 3 388.823 0.759 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cnnn1C ZINC001575935593 950888703 /nfs/dbraw/zinc/88/87/03/950888703.db2.gz YHAUTRKFDZOKAM-KWQFWETISA-N -1 3 388.823 0.759 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001573893513 950891068 /nfs/dbraw/zinc/89/10/68/950891068.db2.gz JVWBYSMOKUFZPN-PHIMTYICSA-N -1 3 383.420 0.376 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001573893513 950891077 /nfs/dbraw/zinc/89/10/77/950891077.db2.gz JVWBYSMOKUFZPN-PHIMTYICSA-N -1 3 383.420 0.376 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575012574 950891729 /nfs/dbraw/zinc/89/17/29/950891729.db2.gz ZUGVFTOTXRCLCW-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001575012574 950891740 /nfs/dbraw/zinc/89/17/40/950891740.db2.gz ZUGVFTOTXRCLCW-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575935742 950893576 /nfs/dbraw/zinc/89/35/76/950893576.db2.gz AXHVPMBWBGUGCL-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575935742 950893597 /nfs/dbraw/zinc/89/35/97/950893597.db2.gz AXHVPMBWBGUGCL-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccn2c1CCCC2 ZINC001575014073 950893805 /nfs/dbraw/zinc/89/38/05/950893805.db2.gz CSRLFEBCBLCASM-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccn2c1CCCC2 ZINC001575014073 950893828 /nfs/dbraw/zinc/89/38/28/950893828.db2.gz CSRLFEBCBLCASM-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001575014058 950896091 /nfs/dbraw/zinc/89/60/91/950896091.db2.gz CRASOMRTCDBRCY-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001575014058 950896103 /nfs/dbraw/zinc/89/61/03/950896103.db2.gz CRASOMRTCDBRCY-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575935868 950896949 /nfs/dbraw/zinc/89/69/49/950896949.db2.gz BKXINPISEAAKFZ-ZYHUDNBSSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575935868 950896964 /nfs/dbraw/zinc/89/69/64/950896964.db2.gz BKXINPISEAAKFZ-ZYHUDNBSSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1csc(=O)[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574527582 950897532 /nfs/dbraw/zinc/89/75/32/950897532.db2.gz DQQOSWNVKLTQQN-SFYZADRCSA-N -1 3 390.429 0.684 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575935932 950902683 /nfs/dbraw/zinc/90/26/83/950902683.db2.gz CEGSBQNDFMFPEH-ZYHUDNBSSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575935932 950902702 /nfs/dbraw/zinc/90/27/02/950902702.db2.gz CEGSBQNDFMFPEH-ZYHUDNBSSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575935931 950903500 /nfs/dbraw/zinc/90/35/00/950903500.db2.gz CEGSBQNDFMFPEH-PWSUYJOCSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575935931 950903516 /nfs/dbraw/zinc/90/35/16/950903516.db2.gz CEGSBQNDFMFPEH-PWSUYJOCSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)c1nccnc1N ZINC001574771304 950908983 /nfs/dbraw/zinc/90/89/83/950908983.db2.gz AHYKSISMWAAZJJ-SNVBAGLBSA-N -1 3 385.407 0.628 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCn1cc(Cl)cn1 ZINC001575014560 950909195 /nfs/dbraw/zinc/90/91/95/950909195.db2.gz HFYFRFLXWFBLJL-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCn1cc(Cl)cn1 ZINC001575014560 950909206 /nfs/dbraw/zinc/90/92/06/950909206.db2.gz HFYFRFLXWFBLJL-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574527795 950909496 /nfs/dbraw/zinc/90/94/96/950909496.db2.gz HFARHJDAULJDEV-YUMQZZPRSA-N -1 3 375.368 0.384 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574527795 950909515 /nfs/dbraw/zinc/90/95/15/950909515.db2.gz HFARHJDAULJDEV-YUMQZZPRSA-N -1 3 375.368 0.384 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001575014699 950910080 /nfs/dbraw/zinc/91/00/80/950910080.db2.gz IADIWFCGCUSAOP-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001575014699 950910093 /nfs/dbraw/zinc/91/00/93/950910093.db2.gz IADIWFCGCUSAOP-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001573893881 950910156 /nfs/dbraw/zinc/91/01/56/950910156.db2.gz AHEZZJFACYUXTE-GFCCVEGCSA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001573893881 950910171 /nfs/dbraw/zinc/91/01/71/950910171.db2.gz AHEZZJFACYUXTE-GFCCVEGCSA-N -1 3 382.432 0.935 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575014743 950911430 /nfs/dbraw/zinc/91/14/30/950911430.db2.gz IRLZZOLSJAZUJL-WCFLWFBJSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575014743 950911449 /nfs/dbraw/zinc/91/14/49/950911449.db2.gz IRLZZOLSJAZUJL-WCFLWFBJSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)[C@@H](C)NC(=O)CN(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574769061 950912420 /nfs/dbraw/zinc/91/24/20/950912420.db2.gz ZDPXTIAKNKOLKX-NWDGAFQWSA-N -1 3 376.465 0.406 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575014783 950914400 /nfs/dbraw/zinc/91/44/00/950914400.db2.gz JEFAPPYNKYFRMT-WCFLWFBJSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575014783 950914421 /nfs/dbraw/zinc/91/44/21/950914421.db2.gz JEFAPPYNKYFRMT-WCFLWFBJSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1cn[nH]n1 ZINC001575936519 950916076 /nfs/dbraw/zinc/91/60/76/950916076.db2.gz GBZDGHHTDMQEDR-RITPCOANSA-N -1 3 380.825 0.810 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2cscc2-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573894053 950916699 /nfs/dbraw/zinc/91/66/99/950916699.db2.gz KJVHPMUTJMODIS-UHFFFAOYSA-N -1 3 375.414 0.876 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2cscc2-c2nn[n-]n2)c(=O)[nH]c1=O ZINC001573894053 950916711 /nfs/dbraw/zinc/91/67/11/950916711.db2.gz KJVHPMUTJMODIS-UHFFFAOYSA-N -1 3 375.414 0.876 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001573894024 950919761 /nfs/dbraw/zinc/91/97/61/950919761.db2.gz JCRDIOSGXCJDMU-GFCCVEGCSA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001573894024 950919775 /nfs/dbraw/zinc/91/97/75/950919775.db2.gz JCRDIOSGXCJDMU-GFCCVEGCSA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)cn1 ZINC001573894127 950921655 /nfs/dbraw/zinc/92/16/55/950921655.db2.gz MYRNFPGCBFMFFV-KGLIPLIRSA-N -1 3 397.443 0.193 20 0 GCADHM CC(C)(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)cn1 ZINC001573894127 950921677 /nfs/dbraw/zinc/92/16/77/950921677.db2.gz MYRNFPGCBFMFFV-KGLIPLIRSA-N -1 3 397.443 0.193 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574190861 950923878 /nfs/dbraw/zinc/92/38/78/950923878.db2.gz DEWRGOWQGLNJSP-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574190861 950923895 /nfs/dbraw/zinc/92/38/95/950923895.db2.gz DEWRGOWQGLNJSP-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC2CN(Cc3ccccc3-c3nnn[n-]3)C2)nn1 ZINC001573894111 950924340 /nfs/dbraw/zinc/92/43/40/950924340.db2.gz MFJYNWAPPDGRQX-UHFFFAOYSA-N -1 3 381.444 0.827 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC2CN(Cc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC001573894111 950924356 /nfs/dbraw/zinc/92/43/56/950924356.db2.gz MFJYNWAPPDGRQX-UHFFFAOYSA-N -1 3 381.444 0.827 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1(c2cccnc2)CC1 ZINC001575015294 950928165 /nfs/dbraw/zinc/92/81/65/950928165.db2.gz OQYARJJIMCMPMU-NSHDSACASA-N -1 3 380.412 0.556 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1(c2cccnc2)CC1 ZINC001575015294 950928184 /nfs/dbraw/zinc/92/81/84/950928184.db2.gz OQYARJJIMCMPMU-NSHDSACASA-N -1 3 380.412 0.556 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cccn(C)c1=O ZINC001575936837 950928932 /nfs/dbraw/zinc/92/89/32/950928932.db2.gz IVVZXEUZHVOPKZ-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575936837 950928948 /nfs/dbraw/zinc/92/89/48/950928948.db2.gz IVVZXEUZHVOPKZ-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COc1cccc(F)c1 ZINC001575015288 950928943 /nfs/dbraw/zinc/92/89/43/950928943.db2.gz ONENDKKISDYAPS-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COc1cccc(F)c1 ZINC001575015288 950928957 /nfs/dbraw/zinc/92/89/57/950928957.db2.gz ONENDKKISDYAPS-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001573894524 950933474 /nfs/dbraw/zinc/93/34/74/950933474.db2.gz USEDVWAXNOFFKB-CYBMUJFWSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001573894524 950933493 /nfs/dbraw/zinc/93/34/93/950933493.db2.gz USEDVWAXNOFFKB-CYBMUJFWSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C(F)F)ncn1 ZINC001575015649 950943504 /nfs/dbraw/zinc/94/35/04/950943504.db2.gz UFQHCLSJVAQBTM-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C(F)F)ncn1 ZINC001575015649 950943522 /nfs/dbraw/zinc/94/35/22/950943522.db2.gz UFQHCLSJVAQBTM-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576228538 950944134 /nfs/dbraw/zinc/94/41/34/950944134.db2.gz KPEMHXGONGTERT-GHMZBOCLSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576228538 950944147 /nfs/dbraw/zinc/94/41/47/950944147.db2.gz KPEMHXGONGTERT-GHMZBOCLSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575937359 950947197 /nfs/dbraw/zinc/94/71/97/950947197.db2.gz DYNGZWIWMYYDSX-OLZOCXBDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575937359 950947217 /nfs/dbraw/zinc/94/72/17/950947217.db2.gz DYNGZWIWMYYDSX-OLZOCXBDSA-N -1 3 389.460 0.930 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575642507 950947258 /nfs/dbraw/zinc/94/72/58/950947258.db2.gz HXSJKDSREFNYAD-KPZWWZAWSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575642507 950947272 /nfs/dbraw/zinc/94/72/72/950947272.db2.gz HXSJKDSREFNYAD-KPZWWZAWSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001575642542 950947372 /nfs/dbraw/zinc/94/73/72/950947372.db2.gz IDOCFBGXSURVOC-RYUDHWBXSA-N -1 3 385.428 0.341 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001575642542 950947382 /nfs/dbraw/zinc/94/73/82/950947382.db2.gz IDOCFBGXSURVOC-RYUDHWBXSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCCn1cncn1 ZINC001575937601 950951972 /nfs/dbraw/zinc/95/19/72/950951972.db2.gz KXDOWAGQTVELPQ-GXTWGEPZSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCCn1cncn1 ZINC001575937601 950951982 /nfs/dbraw/zinc/95/19/82/950951982.db2.gz KXDOWAGQTVELPQ-GXTWGEPZSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001575015978 950956317 /nfs/dbraw/zinc/95/63/17/950956317.db2.gz ZCMPJWCDDZQGCE-SECBINFHSA-N -1 3 384.400 0.144 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001575015978 950956333 /nfs/dbraw/zinc/95/63/33/950956333.db2.gz ZCMPJWCDDZQGCE-SECBINFHSA-N -1 3 384.400 0.144 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576229049 950958909 /nfs/dbraw/zinc/95/89/09/950958909.db2.gz IOSRMLIAOMFCJN-MFKMUULPSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576229049 950958926 /nfs/dbraw/zinc/95/89/26/950958926.db2.gz IOSRMLIAOMFCJN-MFKMUULPSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C)c1C1CC1 ZINC001575016998 950967829 /nfs/dbraw/zinc/96/78/29/950967829.db2.gz FMUOOJFVVDABKC-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C)c1C1CC1 ZINC001575016998 950967852 /nfs/dbraw/zinc/96/78/52/950967852.db2.gz FMUOOJFVVDABKC-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM CC1CC(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575938025 950968436 /nfs/dbraw/zinc/96/84/36/950968436.db2.gz ILFNRHWVLAQEEO-GCZXYKMCSA-N -1 3 375.433 0.132 20 0 GCADHM CC1CC(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575938025 950968449 /nfs/dbraw/zinc/96/84/49/950968449.db2.gz ILFNRHWVLAQEEO-GCZXYKMCSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1occ2c1CCOC2 ZINC001575016954 950968743 /nfs/dbraw/zinc/96/87/43/950968743.db2.gz DIYYFCMHVCXFSP-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1occ2c1CCOC2 ZINC001575016954 950968760 /nfs/dbraw/zinc/96/87/60/950968760.db2.gz DIYYFCMHVCXFSP-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cncs1 ZINC001574530235 950972725 /nfs/dbraw/zinc/97/27/25/950972725.db2.gz BBRUCIAQODGQQP-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cncs1 ZINC001574530235 950972732 /nfs/dbraw/zinc/97/27/32/950972732.db2.gz BBRUCIAQODGQQP-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575017299 950984284 /nfs/dbraw/zinc/98/42/84/950984284.db2.gz CWKOMPAYAAQSSZ-NSHDSACASA-N -1 3 380.412 0.615 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575017299 950984303 /nfs/dbraw/zinc/98/43/03/950984303.db2.gz CWKOMPAYAAQSSZ-NSHDSACASA-N -1 3 380.412 0.615 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)Cn1ccccc1=O ZINC001575938510 950985429 /nfs/dbraw/zinc/98/54/29/950985429.db2.gz OLQDDWIUCISWCU-OCCSQVGLSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)Cn1ccccc1=O ZINC001575938510 950985452 /nfs/dbraw/zinc/98/54/52/950985452.db2.gz OLQDDWIUCISWCU-OCCSQVGLSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccon1 ZINC001574530646 950991381 /nfs/dbraw/zinc/99/13/81/950991381.db2.gz DAQGMGXOZUHAAK-GHMZBOCLSA-N -1 3 386.416 0.829 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccon1 ZINC001574530646 950991406 /nfs/dbraw/zinc/99/14/06/950991406.db2.gz DAQGMGXOZUHAAK-GHMZBOCLSA-N -1 3 386.416 0.829 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575938680 950991933 /nfs/dbraw/zinc/99/19/33/950991933.db2.gz MNFVPHAEBBEUIX-QWHCGFSZSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575938680 950991950 /nfs/dbraw/zinc/99/19/50/950991950.db2.gz MNFVPHAEBBEUIX-QWHCGFSZSA-N -1 3 389.460 0.930 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)C1CC1 ZINC001573899991 950995713 /nfs/dbraw/zinc/99/57/13/950995713.db2.gz OAHKUNLUKQPFJN-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)C1CC1 ZINC001573899991 950995727 /nfs/dbraw/zinc/99/57/27/950995727.db2.gz OAHKUNLUKQPFJN-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575644986 950999546 /nfs/dbraw/zinc/99/95/46/950999546.db2.gz YRCJIZBZFHRGFH-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575644986 950999569 /nfs/dbraw/zinc/99/95/69/950999569.db2.gz YRCJIZBZFHRGFH-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccnc2n[nH]nc21 ZINC001575939037 951000011 /nfs/dbraw/zinc/00/00/11/951000011.db2.gz POXPXRNSHXADJL-JOYOIKCWSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccnc2n[nH]nc21 ZINC001575939037 951000027 /nfs/dbraw/zinc/00/00/27/951000027.db2.gz POXPXRNSHXADJL-JOYOIKCWSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575017624 951006308 /nfs/dbraw/zinc/00/63/08/951006308.db2.gz ICLQKLKUXGVHOF-SECBINFHSA-N -1 3 386.391 0.688 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575017624 951006325 /nfs/dbraw/zinc/00/63/25/951006325.db2.gz ICLQKLKUXGVHOF-SECBINFHSA-N -1 3 386.391 0.688 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nsc(N(C)C)n1 ZINC001575017726 951007006 /nfs/dbraw/zinc/00/70/06/951007006.db2.gz MVIDKVWETUSZIY-MRVPVSSYSA-N -1 3 376.450 0.020 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nsc(N(C)C)n1 ZINC001575017726 951007022 /nfs/dbraw/zinc/00/70/22/951007022.db2.gz MVIDKVWETUSZIY-MRVPVSSYSA-N -1 3 376.450 0.020 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530925 951007234 /nfs/dbraw/zinc/00/72/34/951007234.db2.gz DSVNTJXPROTINZ-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cnn(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530925 951007255 /nfs/dbraw/zinc/00/72/55/951007255.db2.gz DSVNTJXPROTINZ-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1cn(-c2ccccc2)nn1 ZINC001575017828 951013121 /nfs/dbraw/zinc/01/31/21/951013121.db2.gz NWKKFAFIIVUVME-GFCCVEGCSA-N -1 3 392.427 0.684 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575017826 951013387 /nfs/dbraw/zinc/01/33/87/951013387.db2.gz KHIAPWDGJVGNAB-LLVKDONJSA-N -1 3 385.403 0.959 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575017826 951013400 /nfs/dbraw/zinc/01/34/00/951013400.db2.gz KHIAPWDGJVGNAB-LLVKDONJSA-N -1 3 385.403 0.959 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001575018814 951025377 /nfs/dbraw/zinc/02/53/77/951025377.db2.gz QUWRTWWFVSHHCR-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C(C)(C)C)nn1 ZINC001575018814 951025385 /nfs/dbraw/zinc/02/53/85/951025385.db2.gz QUWRTWWFVSHHCR-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1noc2c1CCCC2 ZINC001575018861 951027115 /nfs/dbraw/zinc/02/71/15/951027115.db2.gz RBGJXVPZWLJOEK-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1noc2c1CCCC2 ZINC001575018861 951027130 /nfs/dbraw/zinc/02/71/30/951027130.db2.gz RBGJXVPZWLJOEK-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1noc2c1CCCC2 ZINC001575018859 951027380 /nfs/dbraw/zinc/02/73/80/951027380.db2.gz RBGJXVPZWLJOEK-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1noc2c1CCCC2 ZINC001575018859 951027395 /nfs/dbraw/zinc/02/73/95/951027395.db2.gz RBGJXVPZWLJOEK-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575019678 951040492 /nfs/dbraw/zinc/04/04/92/951040492.db2.gz UVMSEBICGFKTGR-SNVBAGLBSA-N -1 3 386.391 0.752 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575019678 951040507 /nfs/dbraw/zinc/04/05/07/951040507.db2.gz UVMSEBICGFKTGR-SNVBAGLBSA-N -1 3 386.391 0.752 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1onc2c1CCCC2 ZINC001575019731 951043238 /nfs/dbraw/zinc/04/32/38/951043238.db2.gz VIOCEAHVODDILL-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1onc2c1CCCC2 ZINC001575019731 951043250 /nfs/dbraw/zinc/04/32/50/951043250.db2.gz VIOCEAHVODDILL-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ncccc1-c1nnn[n-]1 ZINC001575019737 951045571 /nfs/dbraw/zinc/04/55/71/951045571.db2.gz VICZKFNWOZZFQD-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ncccc1-c1nn[n-]n1 ZINC001575019737 951045587 /nfs/dbraw/zinc/04/55/87/951045587.db2.gz VICZKFNWOZZFQD-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)o1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575022732 951069073 /nfs/dbraw/zinc/06/90/73/951069073.db2.gz ITDRZOJTMGBCMF-SECBINFHSA-N -1 3 387.375 0.952 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)o1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575022732 951069087 /nfs/dbraw/zinc/06/90/87/951069087.db2.gz ITDRZOJTMGBCMF-SECBINFHSA-N -1 3 387.375 0.952 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575023998 951090159 /nfs/dbraw/zinc/09/01/59/951090159.db2.gz URRSMVOYDWFWMP-MRVPVSSYSA-N -1 3 388.363 0.571 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575023998 951090175 /nfs/dbraw/zinc/09/01/75/951090175.db2.gz URRSMVOYDWFWMP-MRVPVSSYSA-N -1 3 388.363 0.571 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575024314 951099368 /nfs/dbraw/zinc/09/93/68/951099368.db2.gz AQQAIXYPOQQTEE-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(c1)CCO2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575024314 951099384 /nfs/dbraw/zinc/09/93/84/951099384.db2.gz AQQAIXYPOQQTEE-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575024550 951107388 /nfs/dbraw/zinc/10/73/88/951107388.db2.gz HERQYYILPUECQR-SNVBAGLBSA-N -1 3 382.384 0.658 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575024550 951107395 /nfs/dbraw/zinc/10/73/95/951107395.db2.gz HERQYYILPUECQR-SNVBAGLBSA-N -1 3 382.384 0.658 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575025111 951126547 /nfs/dbraw/zinc/12/65/47/951126547.db2.gz VCXUFVZZVKXUFP-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575025111 951126557 /nfs/dbraw/zinc/12/65/57/951126557.db2.gz VCXUFVZZVKXUFP-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575026371 951141784 /nfs/dbraw/zinc/14/17/84/951141784.db2.gz IATZWTJKDFZQQG-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575026371 951141791 /nfs/dbraw/zinc/14/17/91/951141791.db2.gz IATZWTJKDFZQQG-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575026376 951143311 /nfs/dbraw/zinc/14/33/11/951143311.db2.gz IEYNGAHMBNAOJQ-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575026376 951143316 /nfs/dbraw/zinc/14/33/16/951143316.db2.gz IEYNGAHMBNAOJQ-LLVKDONJSA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575027277 951155823 /nfs/dbraw/zinc/15/58/23/951155823.db2.gz DQRBZWJEKJUEOE-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2c1OCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575027277 951155830 /nfs/dbraw/zinc/15/58/30/951155830.db2.gz DQRBZWJEKJUEOE-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CNC(=O)c1ccc2cccnn21)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575027495 951156924 /nfs/dbraw/zinc/15/69/24/951156924.db2.gz QPNKKZQFQOGBQH-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1ccc2cccnn21)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575027495 951156932 /nfs/dbraw/zinc/15/69/32/951156932.db2.gz QPNKKZQFQOGBQH-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575028079 951168453 /nfs/dbraw/zinc/16/84/53/951168453.db2.gz UOLJPFGNAIJNLO-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575028079 951168460 /nfs/dbraw/zinc/16/84/60/951168460.db2.gz UOLJPFGNAIJNLO-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575028351 951172797 /nfs/dbraw/zinc/17/27/97/951172797.db2.gz VPWKKXWTEUATJU-NSHDSACASA-N -1 3 380.412 0.615 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575028351 951172806 /nfs/dbraw/zinc/17/28/06/951172806.db2.gz VPWKKXWTEUATJU-NSHDSACASA-N -1 3 380.412 0.615 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575029690 951188533 /nfs/dbraw/zinc/18/85/33/951188533.db2.gz WVCBVGYAHDTLBG-JTQLQIEISA-N -1 3 381.400 0.983 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575029690 951188540 /nfs/dbraw/zinc/18/85/40/951188540.db2.gz WVCBVGYAHDTLBG-JTQLQIEISA-N -1 3 381.400 0.983 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2ncnn21)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575029785 951189145 /nfs/dbraw/zinc/18/91/45/951189145.db2.gz XXRMCHAUXDTFBB-VIFPVBQESA-N -1 3 382.363 0.674 20 0 GCADHM C[C@@H](CNC(=O)c1cccc2ncnn21)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575029785 951189156 /nfs/dbraw/zinc/18/91/56/951189156.db2.gz XXRMCHAUXDTFBB-VIFPVBQESA-N -1 3 382.363 0.674 20 0 GCADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575031777 951205434 /nfs/dbraw/zinc/20/54/34/951205434.db2.gz IOUXIMNQPJPBIA-VIFPVBQESA-N -1 3 388.819 0.844 20 0 GCADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575031777 951205450 /nfs/dbraw/zinc/20/54/50/951205450.db2.gz IOUXIMNQPJPBIA-VIFPVBQESA-N -1 3 388.819 0.844 20 0 GCADHM C[C@](CNC(=O)c1cccnc1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575032336 951223923 /nfs/dbraw/zinc/22/39/23/951223923.db2.gz XGZMZBOIDJWAGO-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1cccnc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575032336 951223934 /nfs/dbraw/zinc/22/39/34/951223934.db2.gz XGZMZBOIDJWAGO-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575033809 951229863 /nfs/dbraw/zinc/22/98/63/951229863.db2.gz BRTGTTBQPJFUNP-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575033809 951229871 /nfs/dbraw/zinc/22/98/71/951229871.db2.gz BRTGTTBQPJFUNP-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575034570 951250848 /nfs/dbraw/zinc/25/08/48/951250848.db2.gz NQWBUHLRQWVVEI-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575034570 951250860 /nfs/dbraw/zinc/25/08/60/951250860.db2.gz NQWBUHLRQWVVEI-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575034646 951255311 /nfs/dbraw/zinc/25/53/11/951255311.db2.gz PEQVRCCLUGUMCP-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575034646 951255325 /nfs/dbraw/zinc/25/53/25/951255325.db2.gz PEQVRCCLUGUMCP-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575034887 951259886 /nfs/dbraw/zinc/25/98/86/951259886.db2.gz PZMKNSADFQNJRQ-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575034887 951259891 /nfs/dbraw/zinc/25/98/91/951259891.db2.gz PZMKNSADFQNJRQ-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@](CNC(=O)c1ccncn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575035063 951266595 /nfs/dbraw/zinc/26/65/95/951266595.db2.gz UCEWAQCKSNFJSC-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ccncn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575035063 951266608 /nfs/dbraw/zinc/26/66/08/951266608.db2.gz UCEWAQCKSNFJSC-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccncn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575035062 951267910 /nfs/dbraw/zinc/26/79/10/951267910.db2.gz UCEWAQCKSNFJSC-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccncn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575035062 951267920 /nfs/dbraw/zinc/26/79/20/951267920.db2.gz UCEWAQCKSNFJSC-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccnnc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575035334 951272560 /nfs/dbraw/zinc/27/25/60/951272560.db2.gz WWYFSKJPOUWHKM-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccnnc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575035334 951272575 /nfs/dbraw/zinc/27/25/75/951272575.db2.gz WWYFSKJPOUWHKM-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccncc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575035309 951274098 /nfs/dbraw/zinc/27/40/98/951274098.db2.gz VYSICJJHUTUMKJ-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1ccncc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575035309 951274111 /nfs/dbraw/zinc/27/41/11/951274111.db2.gz VYSICJJHUTUMKJ-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575035828 951286576 /nfs/dbraw/zinc/28/65/76/951286576.db2.gz MMNHPUZOUSHXSO-SECBINFHSA-N -1 3 379.384 0.382 20 0 GCADHM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575035828 951286587 /nfs/dbraw/zinc/28/65/87/951286587.db2.gz MMNHPUZOUSHXSO-SECBINFHSA-N -1 3 379.384 0.382 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575036684 951299547 /nfs/dbraw/zinc/29/95/47/951299547.db2.gz VXDJAKLUFNGBTF-SECBINFHSA-N -1 3 388.819 0.844 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575036684 951299558 /nfs/dbraw/zinc/29/95/58/951299558.db2.gz VXDJAKLUFNGBTF-SECBINFHSA-N -1 3 388.819 0.844 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575041804 951352569 /nfs/dbraw/zinc/35/25/69/951352569.db2.gz CLRUUALQXIYQQY-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575041804 951352587 /nfs/dbraw/zinc/35/25/87/951352587.db2.gz CLRUUALQXIYQQY-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575042643 951364877 /nfs/dbraw/zinc/36/48/77/951364877.db2.gz LPONAGHRPFPVCD-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575042643 951364889 /nfs/dbraw/zinc/36/48/89/951364889.db2.gz LPONAGHRPFPVCD-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575042642 951366656 /nfs/dbraw/zinc/36/66/56/951366656.db2.gz LPONAGHRPFPVCD-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575042642 951366665 /nfs/dbraw/zinc/36/66/65/951366665.db2.gz LPONAGHRPFPVCD-SECBINFHSA-N -1 3 384.404 0.060 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575042874 951374810 /nfs/dbraw/zinc/37/48/10/951374810.db2.gz MWRLRAXHDURTOC-MRVPVSSYSA-N -1 3 388.363 0.036 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575042874 951374821 /nfs/dbraw/zinc/37/48/21/951374821.db2.gz MWRLRAXHDURTOC-MRVPVSSYSA-N -1 3 388.363 0.036 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)c(=O)n1C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001575043225 951382832 /nfs/dbraw/zinc/38/28/32/951382832.db2.gz PELGESGYLVHPTJ-JTQLQIEISA-N -1 3 388.407 0.521 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)c(=O)n1C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001575043225 951382846 /nfs/dbraw/zinc/38/28/46/951382846.db2.gz PELGESGYLVHPTJ-JTQLQIEISA-N -1 3 388.407 0.521 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575044198 951410086 /nfs/dbraw/zinc/41/00/86/951410086.db2.gz XYKJCVXYMUIGSC-JTQLQIEISA-N -1 3 388.407 0.298 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575044198 951410094 /nfs/dbraw/zinc/41/00/94/951410094.db2.gz XYKJCVXYMUIGSC-JTQLQIEISA-N -1 3 388.407 0.298 20 0 GCADHM C[C@H](CNC(=O)c1cnc2[nH]cnc2c1)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001575044899 951420944 /nfs/dbraw/zinc/42/09/44/951420944.db2.gz WZDKYHDJRHEFLL-VIFPVBQESA-N -1 3 379.388 0.406 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ncccc1-c1nnn[n-]1 ZINC001575044874 951421458 /nfs/dbraw/zinc/42/14/58/951421458.db2.gz WITBGJJPAITZRZ-NSHDSACASA-N -1 3 383.416 0.466 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)COCC2)CNc1ncccc1-c1nn[n-]n1 ZINC001575044874 951421480 /nfs/dbraw/zinc/42/14/80/951421480.db2.gz WITBGJJPAITZRZ-NSHDSACASA-N -1 3 383.416 0.466 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1ncccc1-c1nnn[n-]1 ZINC001575045571 951427989 /nfs/dbraw/zinc/42/79/89/951427989.db2.gz DMLHPOGMRVSKLK-LLVKDONJSA-N -1 3 383.416 0.466 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1ncccc1-c1nn[n-]n1 ZINC001575045571 951427995 /nfs/dbraw/zinc/42/79/95/951427995.db2.gz DMLHPOGMRVSKLK-LLVKDONJSA-N -1 3 383.416 0.466 20 0 GCADHM C[C@@](CNC(=O)c1cnccn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575046703 951445332 /nfs/dbraw/zinc/44/53/32/951445332.db2.gz RFQJYOGSMMVBKQ-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cnccn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575046703 951445341 /nfs/dbraw/zinc/44/53/41/951445341.db2.gz RFQJYOGSMMVBKQ-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1cncc(-n2ccnn2)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575046894 951449952 /nfs/dbraw/zinc/44/99/52/951449952.db2.gz VDQRGEUWQWVFAX-NSHDSACASA-N -1 3 391.399 0.468 20 0 GCADHM C[C@@H](CNC(=O)c1cncc(-n2ccnn2)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575046894 951449962 /nfs/dbraw/zinc/44/99/62/951449962.db2.gz VDQRGEUWQWVFAX-NSHDSACASA-N -1 3 391.399 0.468 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575047196 951455198 /nfs/dbraw/zinc/45/51/98/951455198.db2.gz ZCSYQUOCIOOGPV-NSHDSACASA-N -1 3 383.416 0.243 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575047196 951455204 /nfs/dbraw/zinc/45/52/04/951455204.db2.gz ZCSYQUOCIOOGPV-NSHDSACASA-N -1 3 383.416 0.243 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575052875 951473609 /nfs/dbraw/zinc/47/36/09/951473609.db2.gz PQXULIRFRIZDGB-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575052875 951473616 /nfs/dbraw/zinc/47/36/16/951473616.db2.gz PQXULIRFRIZDGB-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001575054572 951493434 /nfs/dbraw/zinc/49/34/34/951493434.db2.gz YLFGEEFPNDHOGI-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001575054572 951493440 /nfs/dbraw/zinc/49/34/40/951493440.db2.gz YLFGEEFPNDHOGI-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575054601 951494700 /nfs/dbraw/zinc/49/47/00/951494700.db2.gz YWJOJWOHXNKYGH-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575054601 951494705 /nfs/dbraw/zinc/49/47/05/951494705.db2.gz YWJOJWOHXNKYGH-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1ncccc1-c1nnn[n-]1 ZINC001575055001 951497621 /nfs/dbraw/zinc/49/76/21/951497621.db2.gz LHSYLIVIAXDKQU-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1ncccc1-c1nn[n-]n1 ZINC001575055001 951497627 /nfs/dbraw/zinc/49/76/27/951497627.db2.gz LHSYLIVIAXDKQU-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM C[C@@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575055436 951505930 /nfs/dbraw/zinc/50/59/30/951505930.db2.gz UFYZUCDIPUMFPT-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575055436 951505941 /nfs/dbraw/zinc/50/59/41/951505941.db2.gz UFYZUCDIPUMFPT-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1coc(C(N)=O)c1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575058859 951536140 /nfs/dbraw/zinc/53/61/40/951536140.db2.gz VYVQGSXPJDQKIB-QMMMGPOBSA-N -1 3 388.363 0.571 20 0 GCADHM C[C@H](CNC(=O)c1coc(C(N)=O)c1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575058859 951536150 /nfs/dbraw/zinc/53/61/50/951536150.db2.gz VYVQGSXPJDQKIB-QMMMGPOBSA-N -1 3 388.363 0.571 20 0 GCADHM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001575061564 951559139 /nfs/dbraw/zinc/55/91/39/951559139.db2.gz NJWAZCCLQAJCFR-JTQLQIEISA-N -1 3 382.432 0.513 20 0 GCADHM C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575061627 951560406 /nfs/dbraw/zinc/56/04/06/951560406.db2.gz OUMDCOAUXLNTEF-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@](CNC(=O)c1n[nH]cc1F)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575062116 951565355 /nfs/dbraw/zinc/56/53/55/951565355.db2.gz UDMGJSATKGXYMK-INIZCTEOSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@@](CNC(=O)c1n[nH]cc1F)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575062116 951565364 /nfs/dbraw/zinc/56/53/64/951565364.db2.gz UDMGJSATKGXYMK-INIZCTEOSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@@](CNC(=O)c1csnn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575062389 951567808 /nfs/dbraw/zinc/56/78/08/951567808.db2.gz VRXUJUBUHKXNDM-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1csnn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575062389 951567820 /nfs/dbraw/zinc/56/78/20/951567820.db2.gz VRXUJUBUHKXNDM-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](CNC(=O)c1[nH]nc2ccccc21)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001575062454 951568991 /nfs/dbraw/zinc/56/89/91/951568991.db2.gz WHBSIKUADSMXMW-JTQLQIEISA-N -1 3 378.400 0.788 20 0 GCADHM C[C@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575062827 951572654 /nfs/dbraw/zinc/57/26/54/951572654.db2.gz ZEDQBKUFZFAIGU-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575062827 951572659 /nfs/dbraw/zinc/57/26/59/951572659.db2.gz ZEDQBKUFZFAIGU-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1nnc2ccccc2n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575064768 951580109 /nfs/dbraw/zinc/58/01/09/951580109.db2.gz DCEJGJRISMOYBO-LLVKDONJSA-N -1 3 390.411 0.855 20 0 GCADHM C[C@H](CNC(=O)c1nnc2ccccc2n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575064768 951580118 /nfs/dbraw/zinc/58/01/18/951580118.db2.gz DCEJGJRISMOYBO-LLVKDONJSA-N -1 3 390.411 0.855 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575066021 951592953 /nfs/dbraw/zinc/59/29/53/951592953.db2.gz JPXLKIRZQIVJJH-QMMMGPOBSA-N -1 3 389.399 0.373 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575066021 951592963 /nfs/dbraw/zinc/59/29/63/951592963.db2.gz JPXLKIRZQIVJJH-QMMMGPOBSA-N -1 3 389.399 0.373 20 0 GCADHM C[C@H](CNC(=O)c1nncc2ccccc21)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575067273 951607247 /nfs/dbraw/zinc/60/72/47/951607247.db2.gz QASNHCHRDKIROO-SNVBAGLBSA-N -1 3 391.395 0.686 20 0 GCADHM C[C@H](CNC(=O)c1nncc2ccccc21)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575067273 951607257 /nfs/dbraw/zinc/60/72/57/951607257.db2.gz QASNHCHRDKIROO-SNVBAGLBSA-N -1 3 391.395 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C)n1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575067354 951608868 /nfs/dbraw/zinc/60/88/68/951608868.db2.gz LCILMVVCHMRFOZ-MRVPVSSYSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C)n1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575067354 951608875 /nfs/dbraw/zinc/60/88/75/951608875.db2.gz LCILMVVCHMRFOZ-MRVPVSSYSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@H](CNC(=O)c1nccnc1N)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575067509 951614209 /nfs/dbraw/zinc/61/42/09/951614209.db2.gz MTJBKEAFFQPKNZ-SNVBAGLBSA-N -1 3 385.407 0.628 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ncccc1-c1nnn[n-]1 ZINC001575067643 951618584 /nfs/dbraw/zinc/61/85/84/951618584.db2.gz WVPQEYUIMOBMMW-SNVBAGLBSA-N -1 3 385.436 0.481 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ncccc1-c1nn[n-]n1 ZINC001575067643 951618591 /nfs/dbraw/zinc/61/85/91/951618591.db2.gz WVPQEYUIMOBMMW-SNVBAGLBSA-N -1 3 385.436 0.481 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575068889 951637786 /nfs/dbraw/zinc/63/77/86/951637786.db2.gz DOESXECFUZDFLG-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575068889 951637795 /nfs/dbraw/zinc/63/77/95/951637795.db2.gz DOESXECFUZDFLG-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNCc1nnnn1C(C)(C)C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116223 951969303 /nfs/dbraw/zinc/96/93/03/951969303.db2.gz BIFGUCSXYVYQDV-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNCc1nnnn1C(C)(C)C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575116223 951969312 /nfs/dbraw/zinc/96/93/12/951969312.db2.gz BIFGUCSXYVYQDV-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNCc1ncnn1C(C)(C)C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116597 951971843 /nfs/dbraw/zinc/97/18/43/951971843.db2.gz FTRYSEHKZMCSCK-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CNCc1ncnn1C(C)(C)C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575116597 951971852 /nfs/dbraw/zinc/97/18/52/951971852.db2.gz FTRYSEHKZMCSCK-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNCc1nn(C)cc1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575117322 951978104 /nfs/dbraw/zinc/97/81/04/951978104.db2.gz MHUWXQLSJFHJKF-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H](CNCc1nn(C)cc1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575117322 951978112 /nfs/dbraw/zinc/97/81/12/951978112.db2.gz MHUWXQLSJFHJKF-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNCc1nn(C)cc1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575117319 951978376 /nfs/dbraw/zinc/97/83/76/951978376.db2.gz MHUWXQLSJFHJKF-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNCc1nn(C)cc1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575117319 951978382 /nfs/dbraw/zinc/97/83/82/951978382.db2.gz MHUWXQLSJFHJKF-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H](CNCc1nc(C(F)F)no1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575117660 951980311 /nfs/dbraw/zinc/98/03/11/951980311.db2.gz OCZNMIILVOXAEQ-ZETCQYMHSA-N -1 3 381.347 0.671 20 0 GCADHM C[C@H](CNCc1nc(C2CC2)nn1C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575117720 951981337 /nfs/dbraw/zinc/98/13/37/951981337.db2.gz PBZSKEDRZGBGFD-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM C[C@H](CNCc1ncnn1CCF)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575118347 951986081 /nfs/dbraw/zinc/98/60/81/951986081.db2.gz SSLBHKSIDOBDPJ-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM C[C@H](CNCc1ncnn1CCF)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575118347 951986087 /nfs/dbraw/zinc/98/60/87/951986087.db2.gz SSLBHKSIDOBDPJ-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575121531 951995682 /nfs/dbraw/zinc/99/56/82/951995682.db2.gz FVBCMKCFPROKAN-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575121531 951995697 /nfs/dbraw/zinc/99/56/97/951995697.db2.gz FVBCMKCFPROKAN-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575121743 951998469 /nfs/dbraw/zinc/99/84/69/951998469.db2.gz GUOMYQOBYLDBPD-KRWDZBQOSA-N -1 3 381.400 0.356 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575121743 951998479 /nfs/dbraw/zinc/99/84/79/951998479.db2.gz GUOMYQOBYLDBPD-KRWDZBQOSA-N -1 3 381.400 0.356 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575121741 951999061 /nfs/dbraw/zinc/99/90/61/951999061.db2.gz GTFCKFNHXUHAJA-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575121741 951999065 /nfs/dbraw/zinc/99/90/65/951999065.db2.gz GTFCKFNHXUHAJA-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575122968 952006876 /nfs/dbraw/zinc/00/68/76/952006876.db2.gz BGFACZNLPZFHGR-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575122968 952006882 /nfs/dbraw/zinc/00/68/82/952006882.db2.gz BGFACZNLPZFHGR-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575122904 952007768 /nfs/dbraw/zinc/00/77/68/952007768.db2.gz AIKSDHQKWGWRRZ-SFHVURJKSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001575122904 952007776 /nfs/dbraw/zinc/00/77/76/952007776.db2.gz AIKSDHQKWGWRRZ-SFHVURJKSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575124144 952024093 /nfs/dbraw/zinc/02/40/93/952024093.db2.gz RPGAAOOXYAFYRY-GXTWGEPZSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575124144 952024102 /nfs/dbraw/zinc/02/41/02/952024102.db2.gz RPGAAOOXYAFYRY-GXTWGEPZSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575124587 952031395 /nfs/dbraw/zinc/03/13/95/952031395.db2.gz UXWBCZDVEBRPKA-DGCLKSJQSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575124587 952031406 /nfs/dbraw/zinc/03/14/06/952031406.db2.gz UXWBCZDVEBRPKA-DGCLKSJQSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575125199 952041060 /nfs/dbraw/zinc/04/10/60/952041060.db2.gz NIJVWZFRMZJLAQ-LLVKDONJSA-N -1 3 385.432 0.884 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575125199 952041066 /nfs/dbraw/zinc/04/10/66/952041066.db2.gz NIJVWZFRMZJLAQ-LLVKDONJSA-N -1 3 385.432 0.884 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575125200 952041248 /nfs/dbraw/zinc/04/12/48/952041248.db2.gz NIJVWZFRMZJLAQ-NSHDSACASA-N -1 3 385.432 0.884 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575125200 952041255 /nfs/dbraw/zinc/04/12/55/952041255.db2.gz NIJVWZFRMZJLAQ-NSHDSACASA-N -1 3 385.432 0.884 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575125355 952041992 /nfs/dbraw/zinc/04/19/92/952041992.db2.gz XVWVWQHJSXTLRI-SCLBCKFNSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575125355 952042001 /nfs/dbraw/zinc/04/20/01/952042001.db2.gz XVWVWQHJSXTLRI-SCLBCKFNSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575125545 952044683 /nfs/dbraw/zinc/04/46/83/952044683.db2.gz ZVMRVOFTZGJEBA-OCCSQVGLSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575125545 952044690 /nfs/dbraw/zinc/04/46/90/952044690.db2.gz ZVMRVOFTZGJEBA-OCCSQVGLSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575125993 952049353 /nfs/dbraw/zinc/04/93/53/952049353.db2.gz QKJFHMVYAOGFID-MRXNPFEDSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575125993 952049364 /nfs/dbraw/zinc/04/93/64/952049364.db2.gz QKJFHMVYAOGFID-MRXNPFEDSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575126926 952053974 /nfs/dbraw/zinc/05/39/74/952053974.db2.gz UXYYWNYBNBCPKL-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575126926 952053980 /nfs/dbraw/zinc/05/39/80/952053980.db2.gz UXYYWNYBNBCPKL-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575128168 952064235 /nfs/dbraw/zinc/06/42/35/952064235.db2.gz GDKFHVNSCAGXNN-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575128168 952064246 /nfs/dbraw/zinc/06/42/46/952064246.db2.gz GDKFHVNSCAGXNN-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)COCc1ccnn1C ZINC001575128680 952070387 /nfs/dbraw/zinc/07/03/87/952070387.db2.gz LXYAPMPISPTNDP-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)COCc1ccnn1C ZINC001575128680 952070397 /nfs/dbraw/zinc/07/03/97/952070397.db2.gz LXYAPMPISPTNDP-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CCn1cnccc1=O ZINC001575129250 952080237 /nfs/dbraw/zinc/08/02/37/952080237.db2.gz RZUNXMVZFUGVAF-GFCCVEGCSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CCn1cnccc1=O ZINC001575129250 952080245 /nfs/dbraw/zinc/08/02/45/952080245.db2.gz RZUNXMVZFUGVAF-GFCCVEGCSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575131839 952088190 /nfs/dbraw/zinc/08/81/90/952088190.db2.gz BXKNGIURZJWNIJ-QWRGUYRKSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CN1CCOCC1=O ZINC001575132809 952097615 /nfs/dbraw/zinc/09/76/15/952097615.db2.gz BIFRMMBDOGJTPY-NSHDSACASA-N -1 3 391.407 0.123 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CN1CCOCC1=O ZINC001575132809 952097623 /nfs/dbraw/zinc/09/76/23/952097623.db2.gz BIFRMMBDOGJTPY-NSHDSACASA-N -1 3 391.407 0.123 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575134120 952109817 /nfs/dbraw/zinc/10/98/17/952109817.db2.gz MITAWMXKYBSREJ-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575134388 952111353 /nfs/dbraw/zinc/11/13/53/952111353.db2.gz HSFSSTTZGQNTEZ-JTQLQIEISA-N -1 3 388.407 0.616 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575134388 952111356 /nfs/dbraw/zinc/11/13/56/952111356.db2.gz HSFSSTTZGQNTEZ-JTQLQIEISA-N -1 3 388.407 0.616 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575134523 952112270 /nfs/dbraw/zinc/11/22/70/952112270.db2.gz IWVURWWYKVCTIH-GWCFXTLKSA-N -1 3 390.423 0.808 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575134523 952112278 /nfs/dbraw/zinc/11/22/78/952112278.db2.gz IWVURWWYKVCTIH-GWCFXTLKSA-N -1 3 390.423 0.808 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575137401 952139116 /nfs/dbraw/zinc/13/91/16/952139116.db2.gz XYORLNOFPAZMHB-SJKOYZFVSA-N -1 3 388.407 0.384 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575137401 952139123 /nfs/dbraw/zinc/13/91/23/952139123.db2.gz XYORLNOFPAZMHB-SJKOYZFVSA-N -1 3 388.407 0.384 20 0 GCADHM O=C([O-])Cn1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1=O ZINC001595153963 952152777 /nfs/dbraw/zinc/15/27/77/952152777.db2.gz BSEBBJBBPDZRAM-AEFFLSMTSA-N -1 3 399.447 0.546 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575154535 952225237 /nfs/dbraw/zinc/22/52/37/952225237.db2.gz RXVMMUGLRZJASJ-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575154505 952225743 /nfs/dbraw/zinc/22/57/43/952225743.db2.gz RSGNKEHQGHZJPP-QWRGUYRKSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575158326 952271053 /nfs/dbraw/zinc/27/10/53/952271053.db2.gz SYEKOBRDPAWTQS-SNVBAGLBSA-N -1 3 386.420 0.279 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575163772 952282413 /nfs/dbraw/zinc/28/24/13/952282413.db2.gz GCZVMMRFMBLHRG-CABZTGNLSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575163772 952282421 /nfs/dbraw/zinc/28/24/21/952282421.db2.gz GCZVMMRFMBLHRG-CABZTGNLSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575163714 952282684 /nfs/dbraw/zinc/28/26/84/952282684.db2.gz FCDLWIVIMQQGBA-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575163714 952282687 /nfs/dbraw/zinc/28/26/87/952282687.db2.gz FCDLWIVIMQQGBA-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575164508 952293663 /nfs/dbraw/zinc/29/36/63/952293663.db2.gz LYYSSJATCALTKS-ONGXEEELSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575164508 952293671 /nfs/dbraw/zinc/29/36/71/952293671.db2.gz LYYSSJATCALTKS-ONGXEEELSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575164533 952295850 /nfs/dbraw/zinc/29/58/50/952295850.db2.gz MCSJXISSFLQRIH-VIFPVBQESA-N -1 3 389.395 0.011 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575164533 952295856 /nfs/dbraw/zinc/29/58/56/952295856.db2.gz MCSJXISSFLQRIH-VIFPVBQESA-N -1 3 389.395 0.011 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575164741 952299415 /nfs/dbraw/zinc/29/94/15/952299415.db2.gz NUQIRNHHFWZMMR-MRXNPFEDSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575164741 952299422 /nfs/dbraw/zinc/29/94/22/952299422.db2.gz NUQIRNHHFWZMMR-MRXNPFEDSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)Cc1nnc[nH]1 ZINC001575164843 952300137 /nfs/dbraw/zinc/30/01/37/952300137.db2.gz IFBUQISSPZFFJW-QMMMGPOBSA-N -1 3 376.812 0.535 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575165139 952305141 /nfs/dbraw/zinc/30/51/41/952305141.db2.gz LVNWYIAZXJPXID-UWVGGRQHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575165139 952305149 /nfs/dbraw/zinc/30/51/49/952305149.db2.gz LVNWYIAZXJPXID-UWVGGRQHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575165086 952305254 /nfs/dbraw/zinc/30/52/54/952305254.db2.gz RCTMNSXYRLTHRR-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575165086 952305261 /nfs/dbraw/zinc/30/52/61/952305261.db2.gz RCTMNSXYRLTHRR-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575165547 952309901 /nfs/dbraw/zinc/30/99/01/952309901.db2.gz OOGHEPLJDWUWJB-KOLCDFICSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575165547 952309909 /nfs/dbraw/zinc/30/99/09/952309909.db2.gz OOGHEPLJDWUWJB-KOLCDFICSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575166002 952317951 /nfs/dbraw/zinc/31/79/51/952317951.db2.gz RTWDZTWHHLVSJJ-MEDUHNTESA-N -1 3 390.379 0.206 20 0 GCADHM C[C@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575166002 952317954 /nfs/dbraw/zinc/31/79/54/952317954.db2.gz RTWDZTWHHLVSJJ-MEDUHNTESA-N -1 3 390.379 0.206 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)CCn1ccnn1 ZINC001575166148 952320710 /nfs/dbraw/zinc/32/07/10/952320710.db2.gz SJOPCNVHPFBDLM-SNVBAGLBSA-N -1 3 390.839 0.856 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)CCn1ccnn1 ZINC001575166148 952320715 /nfs/dbraw/zinc/32/07/15/952320715.db2.gz SJOPCNVHPFBDLM-SNVBAGLBSA-N -1 3 390.839 0.856 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575166982 952331367 /nfs/dbraw/zinc/33/13/67/952331367.db2.gz BMBPUUOLTSJBBJ-QWRGUYRKSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575166982 952331372 /nfs/dbraw/zinc/33/13/72/952331372.db2.gz BMBPUUOLTSJBBJ-QWRGUYRKSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575168353 952342825 /nfs/dbraw/zinc/34/28/25/952342825.db2.gz LZTSHZBQHBDXSF-CMPLNLGQSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575168353 952342832 /nfs/dbraw/zinc/34/28/32/952342832.db2.gz LZTSHZBQHBDXSF-CMPLNLGQSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575168801 952345111 /nfs/dbraw/zinc/34/51/11/952345111.db2.gz NBVFNYKDWBEEDJ-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575168801 952345118 /nfs/dbraw/zinc/34/51/18/952345118.db2.gz NBVFNYKDWBEEDJ-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)c1nccnc1N)C1CC1 ZINC001575170059 952351846 /nfs/dbraw/zinc/35/18/46/952351846.db2.gz WFUAECRDTLGKFQ-QGZVFWFLSA-N -1 3 380.416 0.645 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)c1nccnc1N)C1CC1 ZINC001575170059 952351851 /nfs/dbraw/zinc/35/18/51/952351851.db2.gz WFUAECRDTLGKFQ-QGZVFWFLSA-N -1 3 380.416 0.645 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001575184713 952422843 /nfs/dbraw/zinc/42/28/43/952422843.db2.gz AZDIBFOIBCFTJT-WCQYABFASA-N -1 3 378.458 0.182 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 ZINC001575184713 952422844 /nfs/dbraw/zinc/42/28/44/952422844.db2.gz AZDIBFOIBCFTJT-WCQYABFASA-N -1 3 378.458 0.182 20 0 GCADHM C[C@H](CS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C1CC1 ZINC001575185027 952428131 /nfs/dbraw/zinc/42/81/31/952428131.db2.gz JXNIQMXCJPYJDR-GFCCVEGCSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@H](CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C1CC1 ZINC001575185027 952428134 /nfs/dbraw/zinc/42/81/34/952428134.db2.gz JXNIQMXCJPYJDR-GFCCVEGCSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185173 952429483 /nfs/dbraw/zinc/42/94/83/952429483.db2.gz MEXNJDUVTYKEIJ-YUSALJHKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185173 952429488 /nfs/dbraw/zinc/42/94/88/952429488.db2.gz MEXNJDUVTYKEIJ-YUSALJHKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575185241 952430699 /nfs/dbraw/zinc/43/06/99/952430699.db2.gz NUDLXIRLBOFPGO-GFCCVEGCSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575185241 952430703 /nfs/dbraw/zinc/43/07/03/952430703.db2.gz NUDLXIRLBOFPGO-GFCCVEGCSA-N -1 3 392.485 0.095 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001575185344 952433205 /nfs/dbraw/zinc/43/32/05/952433205.db2.gz PRXIJIVTDNKFFV-MNOVXSKESA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001575185344 952433208 /nfs/dbraw/zinc/43/32/08/952433208.db2.gz PRXIJIVTDNKFFV-MNOVXSKESA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575185754 952435430 /nfs/dbraw/zinc/43/54/30/952435430.db2.gz VSAZLRPSJSUXIE-SNVBAGLBSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575185754 952435433 /nfs/dbraw/zinc/43/54/33/952435433.db2.gz VSAZLRPSJSUXIE-SNVBAGLBSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001575185980 952436489 /nfs/dbraw/zinc/43/64/89/952436489.db2.gz XIPKYOJDJIHVHO-IUODEOHRSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001575185980 952436491 /nfs/dbraw/zinc/43/64/91/952436491.db2.gz XIPKYOJDJIHVHO-IUODEOHRSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001575185782 952436648 /nfs/dbraw/zinc/43/66/48/952436648.db2.gz WVRSLVAROXKFQU-ZDUSSCGKSA-N -1 3 392.485 0.192 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001575185782 952436652 /nfs/dbraw/zinc/43/66/52/952436652.db2.gz WVRSLVAROXKFQU-ZDUSSCGKSA-N -1 3 392.485 0.192 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575189333 952455782 /nfs/dbraw/zinc/45/57/82/952455782.db2.gz NGXUGYXTMUUZNU-NSHDSACASA-N -1 3 383.412 0.949 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575189333 952455786 /nfs/dbraw/zinc/45/57/86/952455786.db2.gz NGXUGYXTMUUZNU-NSHDSACASA-N -1 3 383.412 0.949 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575189411 952457545 /nfs/dbraw/zinc/45/75/45/952457545.db2.gz OLVQKFQJCDKASU-QWHCGFSZSA-N -1 3 385.428 0.965 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575189411 952457550 /nfs/dbraw/zinc/45/75/50/952457550.db2.gz OLVQKFQJCDKASU-QWHCGFSZSA-N -1 3 385.428 0.965 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CC[C@H](c2ncccn2)C1 ZINC001571114674 952458879 /nfs/dbraw/zinc/45/88/79/952458879.db2.gz LJZOAUKFLHWITB-JTQLQIEISA-N -1 3 375.389 0.974 20 0 GCADHM O=C(N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)c1cscn1 ZINC001571114998 952462555 /nfs/dbraw/zinc/46/25/55/952462555.db2.gz PKBSBUQIMSICEL-SKDRFNHKSA-N -1 3 375.389 0.442 20 0 GCADHM O=C(N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)c1cscn1 ZINC001571114998 952462561 /nfs/dbraw/zinc/46/25/61/952462561.db2.gz PKBSBUQIMSICEL-SKDRFNHKSA-N -1 3 375.389 0.442 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575190955 952464916 /nfs/dbraw/zinc/46/49/16/952464916.db2.gz VKPJBFOBOURCQA-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575190955 952464920 /nfs/dbraw/zinc/46/49/20/952464920.db2.gz VKPJBFOBOURCQA-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CO)[C@H](O)c1ccccn1 ZINC001575191620 952468196 /nfs/dbraw/zinc/46/81/96/952468196.db2.gz YIYVCBXHJQXFLL-OAUYIBNBSA-N -1 3 382.424 0.651 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CO)[C@H](O)c1ccccn1 ZINC001575191620 952468200 /nfs/dbraw/zinc/46/82/00/952468200.db2.gz YIYVCBXHJQXFLL-OAUYIBNBSA-N -1 3 382.424 0.651 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575191874 952469791 /nfs/dbraw/zinc/46/97/91/952469791.db2.gz ZDFCNQUCLBXXPP-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575191874 952469794 /nfs/dbraw/zinc/46/97/94/952469794.db2.gz ZDFCNQUCLBXXPP-YPMHNXCESA-N -1 3 383.412 0.997 20 0 GCADHM CO[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C(C)C ZINC001571116838 952477778 /nfs/dbraw/zinc/47/77/78/952477778.db2.gz DJSCXYSQRUBSKC-CQSZACIVSA-N -1 3 375.433 0.587 20 0 GCADHM CO[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C(C)C ZINC001571116838 952477779 /nfs/dbraw/zinc/47/77/79/952477779.db2.gz DJSCXYSQRUBSKC-CQSZACIVSA-N -1 3 375.433 0.587 20 0 GCADHM CN1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)CC1=O ZINC001571116871 952478519 /nfs/dbraw/zinc/47/85/19/952478519.db2.gz FGCCVIOFOMOTLS-QWRGUYRKSA-N -1 3 375.458 0.097 20 0 GCADHM CN(C(=O)C[C@H]1CCOC1)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571117027 952479173 /nfs/dbraw/zinc/47/91/73/952479173.db2.gz GBIOCZRTHPDADW-YPMHNXCESA-N -1 3 375.408 0.865 20 0 GCADHM CN(C(=O)C[C@H]1CCOC1)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571117027 952479174 /nfs/dbraw/zinc/47/91/74/952479174.db2.gz GBIOCZRTHPDADW-YPMHNXCESA-N -1 3 375.408 0.865 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001571117185 952480268 /nfs/dbraw/zinc/48/02/68/952480268.db2.gz ICXXFKZOCWQPJF-VIFPVBQESA-N -1 3 375.414 0.579 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001571117185 952480273 /nfs/dbraw/zinc/48/02/73/952480273.db2.gz ICXXFKZOCWQPJF-VIFPVBQESA-N -1 3 375.414 0.579 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)NCc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001571117294 952481185 /nfs/dbraw/zinc/48/11/85/952481185.db2.gz IMTLSYGMTGBXNQ-UHFFFAOYSA-N -1 3 375.418 0.535 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)c1cocn1 ZINC001571117607 952483160 /nfs/dbraw/zinc/48/31/60/952483160.db2.gz NTMXVSYWRMEVJA-ZYHUDNBSSA-N -1 3 375.414 0.281 20 0 GCADHM CN(C(=O)C[C@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571117665 952483206 /nfs/dbraw/zinc/48/32/06/952483206.db2.gz OILGQMLGLVNSGP-SNVBAGLBSA-N -1 3 375.458 0.240 20 0 GCADHM CNC(=O)Cn1cc(NC(=O)N(C)Cc2cc(-c3nnn[n-]3)cs2)cn1 ZINC001571117745 952484574 /nfs/dbraw/zinc/48/45/74/952484574.db2.gz QALHYAQVFSDMJI-UHFFFAOYSA-N -1 3 375.418 0.535 20 0 GCADHM CNC(=O)Cn1cc(NC(=O)N(C)Cc2cc(-c3nn[n-]n3)cs2)cn1 ZINC001571117745 952484580 /nfs/dbraw/zinc/48/45/80/952484580.db2.gz QALHYAQVFSDMJI-UHFFFAOYSA-N -1 3 375.418 0.535 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001575197409 952485064 /nfs/dbraw/zinc/48/50/64/952485064.db2.gz VNRSMGVQZKPGRT-DFBGVHRSSA-N -1 3 383.412 0.399 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001575197409 952485067 /nfs/dbraw/zinc/48/50/67/952485067.db2.gz VNRSMGVQZKPGRT-DFBGVHRSSA-N -1 3 383.412 0.399 20 0 GCADHM CNC(=O)Cn1nc(NC(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1C ZINC001571118046 952485226 /nfs/dbraw/zinc/48/52/26/952485226.db2.gz SKKLBGHIEIWAHC-UHFFFAOYSA-N -1 3 375.418 0.501 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571117969 952485900 /nfs/dbraw/zinc/48/59/00/952485900.db2.gz RKVBTUTYBDDQCL-CYBMUJFWSA-N -1 3 375.408 0.863 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571117969 952485902 /nfs/dbraw/zinc/48/59/02/952485902.db2.gz RKVBTUTYBDDQCL-CYBMUJFWSA-N -1 3 375.408 0.863 20 0 GCADHM CS[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571118369 952487959 /nfs/dbraw/zinc/48/79/59/952487959.db2.gz WGLLMOINFXEAQF-WHIUSJLISA-N -1 3 375.458 0.808 20 0 GCADHM CS[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571118369 952487962 /nfs/dbraw/zinc/48/79/62/952487962.db2.gz WGLLMOINFXEAQF-WHIUSJLISA-N -1 3 375.458 0.808 20 0 GCADHM CS[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571118368 952488035 /nfs/dbraw/zinc/48/80/35/952488035.db2.gz WGLLMOINFXEAQF-VUXODMRMSA-N -1 3 375.458 0.808 20 0 GCADHM CS[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571118368 952488038 /nfs/dbraw/zinc/48/80/38/952488038.db2.gz WGLLMOINFXEAQF-VUXODMRMSA-N -1 3 375.458 0.808 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571118371 952488223 /nfs/dbraw/zinc/48/82/23/952488223.db2.gz WJNYNFXVPGSROQ-SMDDNHRTSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571118371 952488227 /nfs/dbraw/zinc/48/82/27/952488227.db2.gz WJNYNFXVPGSROQ-SMDDNHRTSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575199225 952488577 /nfs/dbraw/zinc/48/85/77/952488577.db2.gz AREHYYQGYSIIID-CHWSQXEVSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575199225 952488582 /nfs/dbraw/zinc/48/85/82/952488582.db2.gz AREHYYQGYSIIID-CHWSQXEVSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC001575199718 952489554 /nfs/dbraw/zinc/48/95/54/952489554.db2.gz FAEFLROAABLQMV-CYBMUJFWSA-N -1 3 383.460 0.769 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC001575199718 952489560 /nfs/dbraw/zinc/48/95/60/952489560.db2.gz FAEFLROAABLQMV-CYBMUJFWSA-N -1 3 383.460 0.769 20 0 GCADHM O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](F)C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571118741 952489609 /nfs/dbraw/zinc/48/96/09/952489609.db2.gz ZPSGEEXFLYSJRY-WISYIIOYSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H](F)C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571118741 952489612 /nfs/dbraw/zinc/48/96/12/952489612.db2.gz ZPSGEEXFLYSJRY-WISYIIOYSA-N -1 3 375.408 0.958 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200078 952492407 /nfs/dbraw/zinc/49/24/07/952492407.db2.gz HOACZIBEMGQGRI-VXGBXAGGSA-N -1 3 382.432 0.201 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200078 952492412 /nfs/dbraw/zinc/49/24/12/952492412.db2.gz HOACZIBEMGQGRI-VXGBXAGGSA-N -1 3 382.432 0.201 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200195 952492875 /nfs/dbraw/zinc/49/28/75/952492875.db2.gz ABTUTSHBANRDOC-YPMHNXCESA-N -1 3 382.432 0.296 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200195 952492879 /nfs/dbraw/zinc/49/28/79/952492879.db2.gz ABTUTSHBANRDOC-YPMHNXCESA-N -1 3 382.432 0.296 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(CCn2cc(Cl)cn2)C1 ZINC001571119861 952495261 /nfs/dbraw/zinc/49/52/61/952495261.db2.gz FXDAYYSPYPCQKV-UHFFFAOYSA-N -1 3 375.824 0.501 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(CCn2cc(Cl)cn2)C1 ZINC001571119861 952495265 /nfs/dbraw/zinc/49/52/65/952495265.db2.gz FXDAYYSPYPCQKV-UHFFFAOYSA-N -1 3 375.824 0.501 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575200688 952498111 /nfs/dbraw/zinc/49/81/11/952498111.db2.gz KOVCQIJTEWWDHQ-ZDUSSCGKSA-N -1 3 381.444 0.523 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575200688 952498115 /nfs/dbraw/zinc/49/81/15/952498115.db2.gz KOVCQIJTEWWDHQ-ZDUSSCGKSA-N -1 3 381.444 0.523 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575200756 952499047 /nfs/dbraw/zinc/49/90/47/952499047.db2.gz LHGKDZSCSXKBEY-GFCCVEGCSA-N -1 3 384.448 0.164 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001575200756 952499050 /nfs/dbraw/zinc/49/90/50/952499050.db2.gz LHGKDZSCSXKBEY-GFCCVEGCSA-N -1 3 384.448 0.164 20 0 GCADHM COc1cc(C(=O)N2CC[C@H](Nc3snc(C)c3-c3nnn[n-]3)C2)on1 ZINC001571120085 952499463 /nfs/dbraw/zinc/49/94/63/952499463.db2.gz JFFJHZUPBBUJSS-QMMMGPOBSA-N -1 3 376.402 0.955 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1 ZINC001575200819 952499603 /nfs/dbraw/zinc/49/96/03/952499603.db2.gz LWZAZTUZHHCKOB-NSHDSACASA-N -1 3 382.432 0.709 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1 ZINC001575200819 952499607 /nfs/dbraw/zinc/49/96/07/952499607.db2.gz LWZAZTUZHHCKOB-NSHDSACASA-N -1 3 382.432 0.709 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nnn[n-]1 ZINC001575201245 952501683 /nfs/dbraw/zinc/50/16/83/952501683.db2.gz HUIHICVTAPMQRV-DRZSPHRISA-N -1 3 380.416 0.048 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[n-]n1 ZINC001575201245 952501688 /nfs/dbraw/zinc/50/16/88/952501688.db2.gz HUIHICVTAPMQRV-DRZSPHRISA-N -1 3 380.416 0.048 20 0 GCADHM O=S(=O)(c1cncc(-c2nnn[n-]2)c1)N1CCOc2cc(F)ccc2C1 ZINC001571120234 952502639 /nfs/dbraw/zinc/50/26/39/952502639.db2.gz JZBCLMZRISMRPI-UHFFFAOYSA-N -1 3 376.373 0.984 20 0 GCADHM O=S(=O)(c1cncc(-c2nn[n-]n2)c1)N1CCOc2cc(F)ccc2C1 ZINC001571120234 952502646 /nfs/dbraw/zinc/50/26/46/952502646.db2.gz JZBCLMZRISMRPI-UHFFFAOYSA-N -1 3 376.373 0.984 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575201266 952502857 /nfs/dbraw/zinc/50/28/57/952502857.db2.gz HYCPVIIJVOIDMO-GFCCVEGCSA-N -1 3 382.432 0.297 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575201266 952502862 /nfs/dbraw/zinc/50/28/62/952502862.db2.gz HYCPVIIJVOIDMO-GFCCVEGCSA-N -1 3 382.432 0.297 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575202194 952511079 /nfs/dbraw/zinc/51/10/79/952511079.db2.gz TVEXNMAJVLNHHD-SWLSCSKDSA-N -1 3 382.428 0.854 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575202194 952511082 /nfs/dbraw/zinc/51/10/82/952511082.db2.gz TVEXNMAJVLNHHD-SWLSCSKDSA-N -1 3 382.428 0.854 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001575202187 952511318 /nfs/dbraw/zinc/51/13/18/952511318.db2.gz SQMYETGSGOWOQU-ZDUSSCGKSA-N -1 3 381.444 0.523 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001575202187 952511322 /nfs/dbraw/zinc/51/13/22/952511322.db2.gz SQMYETGSGOWOQU-ZDUSSCGKSA-N -1 3 381.444 0.523 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575202228 952512189 /nfs/dbraw/zinc/51/21/89/952512189.db2.gz UNHXNPSLGSEUBQ-VOMCLLRMSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575202228 952512194 /nfs/dbraw/zinc/51/21/94/952512194.db2.gz UNHXNPSLGSEUBQ-VOMCLLRMSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575202464 952513109 /nfs/dbraw/zinc/51/31/09/952513109.db2.gz OEEKLNCQCLJTOO-RYUDHWBXSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575202464 952513114 /nfs/dbraw/zinc/51/31/14/952513114.db2.gz OEEKLNCQCLJTOO-RYUDHWBXSA-N -1 3 382.432 0.083 20 0 GCADHM O=C(Cc1cccnc1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571121122 952514966 /nfs/dbraw/zinc/51/49/66/952514966.db2.gz WSIREPWVLKFKFO-JKSUJKDBSA-N -1 3 376.424 0.937 20 0 GCADHM O=C(Cc1cccnc1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571121122 952514972 /nfs/dbraw/zinc/51/49/72/952514972.db2.gz WSIREPWVLKFKFO-JKSUJKDBSA-N -1 3 376.424 0.937 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575202660 952515829 /nfs/dbraw/zinc/51/58/29/952515829.db2.gz XASBROQHKAMBKA-YPMHNXCESA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575202660 952515837 /nfs/dbraw/zinc/51/58/37/952515837.db2.gz XASBROQHKAMBKA-YPMHNXCESA-N -1 3 382.432 0.344 20 0 GCADHM CS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571121908 952522699 /nfs/dbraw/zinc/52/26/99/952522699.db2.gz DRADRNBRJWOWPY-UONOGXRCSA-N -1 3 376.442 0.074 20 0 GCADHM CS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571121908 952522701 /nfs/dbraw/zinc/52/27/01/952522701.db2.gz DRADRNBRJWOWPY-UONOGXRCSA-N -1 3 376.442 0.074 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001575203416 952522809 /nfs/dbraw/zinc/52/28/09/952522809.db2.gz WIIIHOKUOMCINH-GFCCVEGCSA-N -1 3 382.432 0.297 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575203416 952522812 /nfs/dbraw/zinc/52/28/12/952522812.db2.gz WIIIHOKUOMCINH-GFCCVEGCSA-N -1 3 382.432 0.297 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575203550 952523655 /nfs/dbraw/zinc/52/36/55/952523655.db2.gz ZUKLWSJSCDEJEE-GTNSWQLSSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C)CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575203550 952523660 /nfs/dbraw/zinc/52/36/60/952523660.db2.gz ZUKLWSJSCDEJEE-GTNSWQLSSA-N -1 3 382.432 0.344 20 0 GCADHM Cc1nsc(N[C@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571123474 952531306 /nfs/dbraw/zinc/53/13/06/952531306.db2.gz SJINVLBUGGHQLW-UWVGGRQHSA-N -1 3 376.446 0.171 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575206832 952532460 /nfs/dbraw/zinc/53/24/60/952532460.db2.gz MIJQMKXAXJOFMQ-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575206832 952532462 /nfs/dbraw/zinc/53/24/62/952532462.db2.gz MIJQMKXAXJOFMQ-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM CC(F)(F)C(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CC2 ZINC001575207490 952533040 /nfs/dbraw/zinc/53/30/40/952533040.db2.gz QMBHSSQWBSDRIT-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)C(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2 ZINC001575207490 952533044 /nfs/dbraw/zinc/53/30/44/952533044.db2.gz QMBHSSQWBSDRIT-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575207465 952533766 /nfs/dbraw/zinc/53/37/66/952533766.db2.gz QHDBQYDYRURYOA-MNOVXSKESA-N -1 3 387.423 0.930 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575207465 952533769 /nfs/dbraw/zinc/53/37/69/952533769.db2.gz QHDBQYDYRURYOA-MNOVXSKESA-N -1 3 387.423 0.930 20 0 GCADHM Cc1nsc(N[C@H]2C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571124069 952534088 /nfs/dbraw/zinc/53/40/88/952534088.db2.gz YCWADTKYCRWZIJ-LPEHRKFASA-N -1 3 376.446 0.359 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575207837 952534906 /nfs/dbraw/zinc/53/49/06/952534906.db2.gz TUPDKGIXYYXUDF-TUKIKUTGSA-N -1 3 381.444 0.933 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575207837 952534913 /nfs/dbraw/zinc/53/49/13/952534913.db2.gz TUPDKGIXYYXUDF-TUKIKUTGSA-N -1 3 381.444 0.933 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575207923 952535859 /nfs/dbraw/zinc/53/58/59/952535859.db2.gz WGZZERPMJBBCRA-GFCCVEGCSA-N -1 3 381.444 0.935 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575207923 952535863 /nfs/dbraw/zinc/53/58/63/952535863.db2.gz WGZZERPMJBBCRA-GFCCVEGCSA-N -1 3 381.444 0.935 20 0 GCADHM C[C@](Cn1cccn1)(NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)C(N)=O ZINC001575207863 952536404 /nfs/dbraw/zinc/53/64/04/952536404.db2.gz UORAADLWXNJNHB-MRXNPFEDSA-N -1 3 392.370 0.698 20 0 GCADHM C[C@](Cn1cccn1)(NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)C(N)=O ZINC001575207863 952536408 /nfs/dbraw/zinc/53/64/08/952536408.db2.gz UORAADLWXNJNHB-MRXNPFEDSA-N -1 3 392.370 0.698 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(C[C@@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575207952 952536756 /nfs/dbraw/zinc/53/67/56/952536756.db2.gz XCEDQCDRODEHFS-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(C[C@@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575207952 952536760 /nfs/dbraw/zinc/53/67/60/952536760.db2.gz XCEDQCDRODEHFS-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575207969 952537288 /nfs/dbraw/zinc/53/72/88/952537288.db2.gz XNVZLMMITRZJGJ-CHWSQXEVSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575207969 952537293 /nfs/dbraw/zinc/53/72/93/952537293.db2.gz XNVZLMMITRZJGJ-CHWSQXEVSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575208004 952537389 /nfs/dbraw/zinc/53/73/89/952537389.db2.gz YQMSTYUJNVITJW-ZDUSSCGKSA-N -1 3 396.459 0.458 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575208004 952537391 /nfs/dbraw/zinc/53/73/91/952537391.db2.gz YQMSTYUJNVITJW-ZDUSSCGKSA-N -1 3 396.459 0.458 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(C[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575208015 952538074 /nfs/dbraw/zinc/53/80/74/952538074.db2.gz ZAPFRFDRFFWGBU-LLVKDONJSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(C[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575208015 952538076 /nfs/dbraw/zinc/53/80/76/952538076.db2.gz ZAPFRFDRFFWGBU-LLVKDONJSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)C2(F)CCOCC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571124455 952538846 /nfs/dbraw/zinc/53/88/46/952538846.db2.gz JKKFTRCTRPZTEL-AOOOYVTPSA-N -1 3 377.380 0.091 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)C2(F)CCOCC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571124455 952538850 /nfs/dbraw/zinc/53/88/50/952538850.db2.gz JKKFTRCTRPZTEL-AOOOYVTPSA-N -1 3 377.380 0.091 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(Cc2nccn2C(F)F)C1 ZINC001571124461 952539035 /nfs/dbraw/zinc/53/90/35/952539035.db2.gz JMIILQYCVKFJGT-UHFFFAOYSA-N -1 3 377.359 0.743 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(Cc2nccn2C(F)F)C1 ZINC001571124461 952539037 /nfs/dbraw/zinc/53/90/37/952539037.db2.gz JMIILQYCVKFJGT-UHFFFAOYSA-N -1 3 377.359 0.743 20 0 GCADHM NC(=O)c1cccc(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001571124694 952542547 /nfs/dbraw/zinc/54/25/47/952542547.db2.gz RHWDROATLMWONQ-UHFFFAOYSA-N -1 3 377.408 0.580 20 0 GCADHM NC(=O)c1cccc(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001571124694 952542552 /nfs/dbraw/zinc/54/25/52/952542552.db2.gz RHWDROATLMWONQ-UHFFFAOYSA-N -1 3 377.408 0.580 20 0 GCADHM Cc1nc(C(=O)N2CCc3c(CC(N)=O)cccc3C2)ccc1-c1nnn[n-]1 ZINC001571124636 952543187 /nfs/dbraw/zinc/54/31/87/952543187.db2.gz PYCXKFXHACHIRC-UHFFFAOYSA-N -1 3 377.408 0.796 20 0 GCADHM Cc1nc(C(=O)N2CCc3c(CC(N)=O)cccc3C2)ccc1-c1nn[n-]n1 ZINC001571124636 952543192 /nfs/dbraw/zinc/54/31/92/952543192.db2.gz PYCXKFXHACHIRC-UHFFFAOYSA-N -1 3 377.408 0.796 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571124860 952545449 /nfs/dbraw/zinc/54/54/49/952545449.db2.gz WRXQOTGQSOKPDD-AAEUAGOBSA-N -1 3 377.380 0.219 20 0 GCADHM O=C([C@@H]1COCCO1)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571124860 952545453 /nfs/dbraw/zinc/54/54/53/952545453.db2.gz WRXQOTGQSOKPDD-AAEUAGOBSA-N -1 3 377.380 0.219 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cc(NC(=O)c2coc(S(=O)(=O)N(C)C)c2)n1 ZINC001571125025 952546578 /nfs/dbraw/zinc/54/65/78/952546578.db2.gz YLMYLZVMTHCWQU-UHFFFAOYSA-N -1 3 377.386 0.666 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(NC(=O)c2coc(S(=O)(=O)N(C)C)c2)n1 ZINC001571125025 952546581 /nfs/dbraw/zinc/54/65/81/952546581.db2.gz YLMYLZVMTHCWQU-UHFFFAOYSA-N -1 3 377.386 0.666 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571125051 952546808 /nfs/dbraw/zinc/54/68/08/952546808.db2.gz YXGUDIXBPQEDRS-IAZYJMLFSA-N -1 3 377.355 0.427 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)C3CC(F)(F)C3)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571125051 952546810 /nfs/dbraw/zinc/54/68/10/952546810.db2.gz YXGUDIXBPQEDRS-IAZYJMLFSA-N -1 3 377.355 0.427 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)CCO1 ZINC001575211590 952548152 /nfs/dbraw/zinc/54/81/52/952548152.db2.gz VKNMMYVOAVQWPT-GFCCVEGCSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)CCO1 ZINC001575211590 952548157 /nfs/dbraw/zinc/54/81/57/952548157.db2.gz VKNMMYVOAVQWPT-GFCCVEGCSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575211794 952549402 /nfs/dbraw/zinc/54/94/02/952549402.db2.gz ZASAATORMSFLNF-UHFFFAOYSA-N -1 3 383.359 0.245 20 0 GCADHM CC(F)(F)C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575211794 952549409 /nfs/dbraw/zinc/54/94/09/952549409.db2.gz ZASAATORMSFLNF-UHFFFAOYSA-N -1 3 383.359 0.245 20 0 GCADHM O=C(c1cncnc1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571127134 952550042 /nfs/dbraw/zinc/55/00/42/952550042.db2.gz GYRONIWMRNLPAG-BLLLJJGKSA-N -1 3 377.412 0.793 20 0 GCADHM O=C(c1cncnc1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571127134 952550046 /nfs/dbraw/zinc/55/00/46/952550046.db2.gz GYRONIWMRNLPAG-BLLLJJGKSA-N -1 3 377.412 0.793 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@H]21 ZINC001575211917 952551062 /nfs/dbraw/zinc/55/10/62/952551062.db2.gz CFTMZZZHFOPPQZ-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@H]21 ZINC001575211917 952551068 /nfs/dbraw/zinc/55/10/68/952551068.db2.gz CFTMZZZHFOPPQZ-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nc1)C2)c1ncccn1 ZINC001571127212 952551391 /nfs/dbraw/zinc/55/13/91/952551391.db2.gz HUXZICUHOQBUOH-OBJOEFQTSA-N -1 3 377.412 0.839 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nc1)C2)c1ncccn1 ZINC001571127212 952551393 /nfs/dbraw/zinc/55/13/93/952551393.db2.gz HUXZICUHOQBUOH-OBJOEFQTSA-N -1 3 377.412 0.839 20 0 GCADHM Cc1cnc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)cn1 ZINC001571127167 952551746 /nfs/dbraw/zinc/55/17/46/952551746.db2.gz HLFUCKWIUJBVFA-BLLLJJGKSA-N -1 3 377.412 0.711 20 0 GCADHM Cc1cnc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)cn1 ZINC001571127167 952551749 /nfs/dbraw/zinc/55/17/49/952551749.db2.gz HLFUCKWIUJBVFA-BLLLJJGKSA-N -1 3 377.412 0.711 20 0 GCADHM O=C(c1n[nH]cc1F)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571127209 952551852 /nfs/dbraw/zinc/55/18/52/952551852.db2.gz BIPOZTANZGZXAG-UHFFFAOYSA-N -1 3 377.771 0.740 20 0 GCADHM O=C(c1n[nH]cc1F)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571127209 952551855 /nfs/dbraw/zinc/55/18/55/952551855.db2.gz BIPOZTANZGZXAG-UHFFFAOYSA-N -1 3 377.771 0.740 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2)c1ccncn1 ZINC001571127476 952556602 /nfs/dbraw/zinc/55/66/02/952556602.db2.gz KFRWNTHTGWGRDC-OAHLLOKOSA-N -1 3 377.412 0.841 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2)c1ccncn1 ZINC001571127476 952556605 /nfs/dbraw/zinc/55/66/05/952556605.db2.gz KFRWNTHTGWGRDC-OAHLLOKOSA-N -1 3 377.412 0.841 20 0 GCADHM CN(C[C@H]1CCN(C(=O)CC(C)(C)O)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571127766 952559348 /nfs/dbraw/zinc/55/93/48/952559348.db2.gz MURGADUJQWIGFF-LLVKDONJSA-N -1 3 377.424 0.847 20 0 GCADHM CN(C[C@H]1CCN(C(=O)CC(C)(C)O)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571127766 952559352 /nfs/dbraw/zinc/55/93/52/952559352.db2.gz MURGADUJQWIGFF-LLVKDONJSA-N -1 3 377.424 0.847 20 0 GCADHM O=C(c1ccncn1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571127671 952559448 /nfs/dbraw/zinc/55/94/48/952559448.db2.gz LQKAGCFGOCANDN-HOTGVXAUSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ccncn1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571127671 952559451 /nfs/dbraw/zinc/55/94/51/952559451.db2.gz LQKAGCFGOCANDN-HOTGVXAUSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nnn[n-]1)C2)c1cncnc1 ZINC001571127733 952559757 /nfs/dbraw/zinc/55/97/57/952559757.db2.gz MKHUTKRKEXPIKI-UBHSHLNASA-N -1 3 377.412 0.839 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nn[n-]n1)C2)c1cncnc1 ZINC001571127733 952559760 /nfs/dbraw/zinc/55/97/60/952559760.db2.gz MKHUTKRKEXPIKI-UBHSHLNASA-N -1 3 377.412 0.839 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575214145 952562708 /nfs/dbraw/zinc/56/27/08/952562708.db2.gz JMIIWJQGVSMSGJ-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575214145 952562713 /nfs/dbraw/zinc/56/27/13/952562713.db2.gz JMIIWJQGVSMSGJ-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575214332 952562827 /nfs/dbraw/zinc/56/28/27/952562827.db2.gz WWBXXLXRCBNIKZ-VIFPVBQESA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575214332 952562829 /nfs/dbraw/zinc/56/28/29/952562829.db2.gz WWBXXLXRCBNIKZ-VIFPVBQESA-N -1 3 383.359 0.197 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)s1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001571128133 952563895 /nfs/dbraw/zinc/56/38/95/952563895.db2.gz QHUNOHJFGDNGFE-STQMWFEESA-N -1 3 377.474 0.669 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@H]21 ZINC001575214523 952565122 /nfs/dbraw/zinc/56/51/22/952565122.db2.gz ZBGQCXBYYWHNGZ-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@H]21 ZINC001575214523 952565128 /nfs/dbraw/zinc/56/51/28/952565128.db2.gz ZBGQCXBYYWHNGZ-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@]2(C)C1 ZINC001575214475 952565404 /nfs/dbraw/zinc/56/54/04/952565404.db2.gz YPHMWFPBPCFHSU-ZUZCIYMTSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@]2(C)C1 ZINC001575214475 952565407 /nfs/dbraw/zinc/56/54/07/952565407.db2.gz YPHMWFPBPCFHSU-ZUZCIYMTSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@H]21 ZINC001575214513 952565429 /nfs/dbraw/zinc/56/54/29/952565429.db2.gz ZBGQCXBYYWHNGZ-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@H]21 ZINC001575214513 952565431 /nfs/dbraw/zinc/56/54/31/952565431.db2.gz ZBGQCXBYYWHNGZ-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575214717 952566403 /nfs/dbraw/zinc/56/64/03/952566403.db2.gz ZEFKPSFKHAFKTR-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575214717 952566411 /nfs/dbraw/zinc/56/64/11/952566411.db2.gz ZEFKPSFKHAFKTR-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571128488 952567285 /nfs/dbraw/zinc/56/72/85/952567285.db2.gz UUHAHGAYFATJBR-HUUCEWRRSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571128488 952567289 /nfs/dbraw/zinc/56/72/89/952567289.db2.gz UUHAHGAYFATJBR-HUUCEWRRSA-N -1 3 377.412 0.935 20 0 GCADHM CS[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571128560 952568889 /nfs/dbraw/zinc/56/88/89/952568889.db2.gz UTPHQMYWSGDBPG-BDJLRTHQSA-N -1 3 377.474 0.779 20 0 GCADHM CS[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571128560 952568891 /nfs/dbraw/zinc/56/88/91/952568891.db2.gz UTPHQMYWSGDBPG-BDJLRTHQSA-N -1 3 377.474 0.779 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575215509 952569090 /nfs/dbraw/zinc/56/90/90/952569090.db2.gz VCYOWOOXFOIPTJ-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575215509 952569093 /nfs/dbraw/zinc/56/90/93/952569093.db2.gz VCYOWOOXFOIPTJ-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)c1csnn1 ZINC001571128880 952572238 /nfs/dbraw/zinc/57/22/38/952572238.db2.gz YKBXCLAZKDRCBW-QMMMGPOBSA-N -1 3 377.821 0.775 20 0 GCADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)c1csnn1 ZINC001571128880 952572239 /nfs/dbraw/zinc/57/22/39/952572239.db2.gz YKBXCLAZKDRCBW-QMMMGPOBSA-N -1 3 377.821 0.775 20 0 GCADHM CCOC(=O)[C@@H]1[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C[C@@H]21 ZINC001571128978 952572254 /nfs/dbraw/zinc/57/22/54/952572254.db2.gz YOEYYPDDSWVSFF-HZSPNIEDSA-N -1 3 377.426 0.686 20 0 GCADHM CCOC(=O)[C@@H]1[C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C[C@@H]21 ZINC001571128978 952572256 /nfs/dbraw/zinc/57/22/56/952572256.db2.gz YOEYYPDDSWVSFF-HZSPNIEDSA-N -1 3 377.426 0.686 20 0 GCADHM O=S(=O)(NC[C@@H](O)Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cn1 ZINC001571129156 952573257 /nfs/dbraw/zinc/57/32/57/952573257.db2.gz AEKKMCQUXZUWHV-LBPRGKRZSA-N -1 3 378.389 0.283 20 0 GCADHM O=S(=O)(NC[C@@H](O)Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cn1 ZINC001571129156 952573260 /nfs/dbraw/zinc/57/32/60/952573260.db2.gz AEKKMCQUXZUWHV-LBPRGKRZSA-N -1 3 378.389 0.283 20 0 GCADHM COc1ncccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571129194 952573363 /nfs/dbraw/zinc/57/33/63/952573363.db2.gz AWTOIPDRVDIOIY-NHAGDIPZSA-N -1 3 378.396 0.530 20 0 GCADHM COc1ncccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571129194 952573366 /nfs/dbraw/zinc/57/33/66/952573366.db2.gz AWTOIPDRVDIOIY-NHAGDIPZSA-N -1 3 378.396 0.530 20 0 GCADHM COC(=O)[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCOC1 ZINC001571129252 952574189 /nfs/dbraw/zinc/57/41/89/952574189.db2.gz BUKMHADJYVRLKL-JOYOIKCWSA-N -1 3 378.364 0.953 20 0 GCADHM COC(=O)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCOC1 ZINC001571129252 952574192 /nfs/dbraw/zinc/57/41/92/952574192.db2.gz BUKMHADJYVRLKL-JOYOIKCWSA-N -1 3 378.364 0.953 20 0 GCADHM Cn1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)cc1=O ZINC001571129462 952574255 /nfs/dbraw/zinc/57/42/55/952574255.db2.gz DFYHYCUYXZINRA-STQMWFEESA-N -1 3 378.396 0.064 20 0 GCADHM Cn1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)cc1=O ZINC001571129462 952574261 /nfs/dbraw/zinc/57/42/61/952574261.db2.gz DFYHYCUYXZINRA-STQMWFEESA-N -1 3 378.396 0.064 20 0 GCADHM Cn1ccc(=O)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001571129786 952575928 /nfs/dbraw/zinc/57/59/28/952575928.db2.gz ISNFPOXDHKNAJP-STQMWFEESA-N -1 3 378.396 0.064 20 0 GCADHM Cn1ccc(=O)c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001571129786 952575930 /nfs/dbraw/zinc/57/59/30/952575930.db2.gz ISNFPOXDHKNAJP-STQMWFEESA-N -1 3 378.396 0.064 20 0 GCADHM COc1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)n1 ZINC001571129914 952577263 /nfs/dbraw/zinc/57/72/63/952577263.db2.gz LOHAKSDQSHYIOS-ATCWAGBWSA-N -1 3 378.396 0.530 20 0 GCADHM COc1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)n1 ZINC001571129914 952577267 /nfs/dbraw/zinc/57/72/67/952577267.db2.gz LOHAKSDQSHYIOS-ATCWAGBWSA-N -1 3 378.396 0.530 20 0 GCADHM CN1C(=O)Cc2cc(CNC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC001571130709 952581685 /nfs/dbraw/zinc/58/16/85/952581685.db2.gz UULOPAQZEZLKPR-QGZVFWFLSA-N -1 3 378.392 0.735 20 0 GCADHM CN1C(=O)Cc2cc(CNC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001571130709 952581687 /nfs/dbraw/zinc/58/16/87/952581687.db2.gz UULOPAQZEZLKPR-QGZVFWFLSA-N -1 3 378.392 0.735 20 0 GCADHM Cc1nc2n(n1)CCN(S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1)C2 ZINC001571130756 952581820 /nfs/dbraw/zinc/58/18/20/952581820.db2.gz WPGFAAOIZLJGMV-UHFFFAOYSA-N -1 3 378.393 0.251 20 0 GCADHM Cc1nc2n(n1)CCN(S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1)C2 ZINC001571130756 952581824 /nfs/dbraw/zinc/58/18/24/952581824.db2.gz WPGFAAOIZLJGMV-UHFFFAOYSA-N -1 3 378.393 0.251 20 0 GCADHM NS(=O)(=O)Cc1cccc(CNC(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001571134563 952591844 /nfs/dbraw/zinc/59/18/44/952591844.db2.gz GYIPRSIIQPSVBK-UHFFFAOYSA-N -1 3 378.439 0.647 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571139098 952619668 /nfs/dbraw/zinc/61/96/68/952619668.db2.gz BWWWVYGTQMTFKW-MEDUHNTESA-N -1 3 379.371 0.567 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571139098 952619669 /nfs/dbraw/zinc/61/96/69/952619669.db2.gz BWWWVYGTQMTFKW-MEDUHNTESA-N -1 3 379.371 0.567 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnccn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571139608 952621420 /nfs/dbraw/zinc/62/14/20/952621420.db2.gz JUDKPDLQISAGED-IUPBHXKESA-N -1 3 379.384 0.160 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnccn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571139608 952621424 /nfs/dbraw/zinc/62/14/24/952621424.db2.gz JUDKPDLQISAGED-IUPBHXKESA-N -1 3 379.384 0.160 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571140182 952623448 /nfs/dbraw/zinc/62/34/48/952623448.db2.gz OUAMALKIOWEOTA-ASXGKARISA-N -1 3 379.371 0.721 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571140182 952623450 /nfs/dbraw/zinc/62/34/50/952623450.db2.gz OUAMALKIOWEOTA-ASXGKARISA-N -1 3 379.371 0.721 20 0 GCADHM O=C(NCC1CC(NC(=O)[C@@H]2CCC2(F)F)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571140318 952624221 /nfs/dbraw/zinc/62/42/21/952624221.db2.gz PTPDKTJSZNLJCI-RTBKNWGFSA-N -1 3 379.371 0.865 20 0 GCADHM O=C(NCC1CC(NC(=O)[C@@H]2CCC2(F)F)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571140318 952624222 /nfs/dbraw/zinc/62/42/22/952624222.db2.gz PTPDKTJSZNLJCI-RTBKNWGFSA-N -1 3 379.371 0.865 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571140667 952627433 /nfs/dbraw/zinc/62/74/33/952627433.db2.gz RQZKSHUBUDGSAJ-MWLCHTKSSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(F)(F)C1 ZINC001571140667 952627437 /nfs/dbraw/zinc/62/74/37/952627437.db2.gz RQZKSHUBUDGSAJ-MWLCHTKSSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnccn1 ZINC001571140662 952627493 /nfs/dbraw/zinc/62/74/93/952627493.db2.gz ROGQLICZHYOEDJ-SUNKGSAMSA-N -1 3 379.384 0.160 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnccn1 ZINC001571140662 952627495 /nfs/dbraw/zinc/62/74/95/952627495.db2.gz ROGQLICZHYOEDJ-SUNKGSAMSA-N -1 3 379.384 0.160 20 0 GCADHM Cc1cc(=O)c(C(=O)NCC2CN(Cc3ccccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571140688 952627629 /nfs/dbraw/zinc/62/76/29/952627629.db2.gz DXQPYBUZWHKHJO-UHFFFAOYSA-N -1 3 379.424 0.725 20 0 GCADHM CN(C(=O)c1ccc(=O)n(C)c1)C1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571141178 952631949 /nfs/dbraw/zinc/63/19/49/952631949.db2.gz IDEOSWWMPZHFDQ-UHFFFAOYSA-N -1 3 379.424 0.522 20 0 GCADHM CN(C(=O)c1ccc(=O)n(C)c1)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571141178 952631952 /nfs/dbraw/zinc/63/19/52/952631952.db2.gz IDEOSWWMPZHFDQ-UHFFFAOYSA-N -1 3 379.424 0.522 20 0 GCADHM O=C(CC1CC(F)(F)C1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571141307 952632473 /nfs/dbraw/zinc/63/24/73/952632473.db2.gz XGRSZIBDFNMQBL-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM O=C(CC1CC(F)(F)C1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571141307 952632475 /nfs/dbraw/zinc/63/24/75/952632475.db2.gz XGRSZIBDFNMQBL-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)Cc1ccccc1 ZINC001571141808 952636777 /nfs/dbraw/zinc/63/67/77/952636777.db2.gz MWQDSVAOLFKFQM-HZPDHXFCSA-N -1 3 379.424 0.824 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)Cc1ccccc1 ZINC001571141808 952636780 /nfs/dbraw/zinc/63/67/80/952636780.db2.gz MWQDSVAOLFKFQM-HZPDHXFCSA-N -1 3 379.424 0.824 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001571142276 952640340 /nfs/dbraw/zinc/64/03/40/952640340.db2.gz OBAOBDNMQOPMHF-GFCCVEGCSA-N -1 3 378.458 0.495 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 ZINC001571142276 952640342 /nfs/dbraw/zinc/64/03/42/952640342.db2.gz OBAOBDNMQOPMHF-GFCCVEGCSA-N -1 3 378.458 0.495 20 0 GCADHM COc1ccc(CNC(=O)N(C)C2CCS(=O)CC2)cc1-c1nnn[n-]1 ZINC001571142479 952642206 /nfs/dbraw/zinc/64/22/06/952642206.db2.gz QXTZYNIBMFGFAR-UHFFFAOYSA-N -1 3 378.458 0.928 20 0 GCADHM COc1ccc(CNC(=O)N(C)C2CCS(=O)CC2)cc1-c1nn[n-]n1 ZINC001571142479 952642211 /nfs/dbraw/zinc/64/22/11/952642211.db2.gz QXTZYNIBMFGFAR-UHFFFAOYSA-N -1 3 378.458 0.928 20 0 GCADHM CC(C)[C@@H]1C[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571142505 952643005 /nfs/dbraw/zinc/64/30/05/952643005.db2.gz SJWKPIUOFFUXKB-LEWSCRJBSA-N -1 3 378.458 0.694 20 0 GCADHM CC(C)[C@@H]1C[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571142505 952643009 /nfs/dbraw/zinc/64/30/09/952643009.db2.gz SJWKPIUOFFUXKB-LEWSCRJBSA-N -1 3 378.458 0.694 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncnc3c2CCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571146505 952648942 /nfs/dbraw/zinc/64/89/42/952648942.db2.gz HRPIMRUMBZJWKX-LBPRGKRZSA-N -1 3 379.428 0.872 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncnc3c2CCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571146505 952648945 /nfs/dbraw/zinc/64/89/45/952648945.db2.gz HRPIMRUMBZJWKX-LBPRGKRZSA-N -1 3 379.428 0.872 20 0 GCADHM O=C(Cn1cccn1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571146394 952649256 /nfs/dbraw/zinc/64/92/56/952649256.db2.gz HHPAIKLNSMDNNQ-KSSFIOAISA-N -1 3 379.428 0.776 20 0 GCADHM O=C(Cn1cccn1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571146394 952649257 /nfs/dbraw/zinc/64/92/57/952649257.db2.gz HHPAIKLNSMDNNQ-KSSFIOAISA-N -1 3 379.428 0.776 20 0 GCADHM Cc1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)c(C)n2)n1C ZINC001571146483 952649312 /nfs/dbraw/zinc/64/93/12/952649312.db2.gz HOVKQQPLANELHU-STQMWFEESA-N -1 3 379.428 0.715 20 0 GCADHM Cc1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)c(C)n2)n1C ZINC001571146483 952649315 /nfs/dbraw/zinc/64/93/15/952649315.db2.gz HOVKQQPLANELHU-STQMWFEESA-N -1 3 379.428 0.715 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ncccn1 ZINC001571146613 952649891 /nfs/dbraw/zinc/64/98/91/952649891.db2.gz JVUPVUJEVLUWIP-OLZOCXBDSA-N -1 3 379.428 0.864 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@H]2CC[C@@H](C1)N2Cc1ncccn1 ZINC001571146613 952649892 /nfs/dbraw/zinc/64/98/92/952649892.db2.gz JVUPVUJEVLUWIP-OLZOCXBDSA-N -1 3 379.428 0.864 20 0 GCADHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571147279 952660185 /nfs/dbraw/zinc/66/01/85/952660185.db2.gz WJDBHVWDJNHVOJ-MRVWCRGKSA-N -1 3 379.428 0.494 20 0 GCADHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571147279 952660189 /nfs/dbraw/zinc/66/01/89/952660189.db2.gz WJDBHVWDJNHVOJ-MRVWCRGKSA-N -1 3 379.428 0.494 20 0 GCADHM O=C(CCn1ccnc1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571147483 952661844 /nfs/dbraw/zinc/66/18/44/952661844.db2.gz ZNYPFIHBVGWMKQ-GASCZTMLSA-N -1 3 379.428 0.728 20 0 GCADHM O=C(CCn1ccnc1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571147483 952661847 /nfs/dbraw/zinc/66/18/47/952661847.db2.gz ZNYPFIHBVGWMKQ-GASCZTMLSA-N -1 3 379.428 0.728 20 0 GCADHM Cc1c(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[n-]n3)cc2)nnn1C ZINC001571147521 952662531 /nfs/dbraw/zinc/66/25/31/952662531.db2.gz MUVGQZKUJYBGSS-GJZGRUSLSA-N -1 3 379.428 0.403 20 0 GCADHM CCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)cn2)nn1C ZINC001571147572 952662613 /nfs/dbraw/zinc/66/26/13/952662613.db2.gz OGNNPFATSFFXNT-KBPBESRZSA-N -1 3 379.428 0.661 20 0 GCADHM CCc1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)cn2)nn1C ZINC001571147572 952662615 /nfs/dbraw/zinc/66/26/15/952662615.db2.gz OGNNPFATSFFXNT-KBPBESRZSA-N -1 3 379.428 0.661 20 0 GCADHM Cc1n[nH]cc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571147514 952662640 /nfs/dbraw/zinc/66/26/40/952662640.db2.gz MRNYUQLVSOCULH-OLZOCXBDSA-N -1 3 379.428 0.892 20 0 GCADHM Cc1n[nH]cc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571147514 952662642 /nfs/dbraw/zinc/66/26/42/952662642.db2.gz MRNYUQLVSOCULH-OLZOCXBDSA-N -1 3 379.428 0.892 20 0 GCADHM CCc1ncncc1C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571148035 952665268 /nfs/dbraw/zinc/66/52/68/952665268.db2.gz TYYRCASTDBXFCW-GFCCVEGCSA-N -1 3 379.428 0.931 20 0 GCADHM CCc1ncncc1C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571148035 952665270 /nfs/dbraw/zinc/66/52/70/952665270.db2.gz TYYRCASTDBXFCW-GFCCVEGCSA-N -1 3 379.428 0.931 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c(C)nn1 ZINC001571148233 952666435 /nfs/dbraw/zinc/66/64/35/952666435.db2.gz WESVCGFTYCTVHE-ZDUSSCGKSA-N -1 3 379.428 0.931 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c(C)nn1 ZINC001571148233 952666437 /nfs/dbraw/zinc/66/64/37/952666437.db2.gz WESVCGFTYCTVHE-ZDUSSCGKSA-N -1 3 379.428 0.931 20 0 GCADHM CS(=O)(=O)C1CCC(CNC(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571150485 952668164 /nfs/dbraw/zinc/66/81/64/952668164.db2.gz BTZKVSUNVZUKHZ-UHFFFAOYSA-N -1 3 379.446 0.987 20 0 GCADHM CS(=O)(=O)C1CCC(CNC(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571150485 952668167 /nfs/dbraw/zinc/66/81/67/952668167.db2.gz BTZKVSUNVZUKHZ-UHFFFAOYSA-N -1 3 379.446 0.987 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001571150444 952668503 /nfs/dbraw/zinc/66/85/03/952668503.db2.gz ARJPOHPKOZDILU-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001571150444 952668506 /nfs/dbraw/zinc/66/85/06/952668506.db2.gz ARJPOHPKOZDILU-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)C2)ccc1-c1nn[n-]n1 ZINC001571150839 952670890 /nfs/dbraw/zinc/67/08/90/952670890.db2.gz HFAXHBAKJITSPP-GHMZBOCLSA-N -1 3 379.446 0.016 20 0 GCADHM Cc1nsc(N2CC[C@H](N(C)C(=O)[C@@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571150858 952671276 /nfs/dbraw/zinc/67/12/76/952671276.db2.gz HQHAJDPEURAWOM-QWRGUYRKSA-N -1 3 379.446 0.084 20 0 GCADHM Cc1nsc(N2CC[C@@H](N(C)C(=O)[C@@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571150857 952671280 /nfs/dbraw/zinc/67/12/80/952671280.db2.gz HQHAJDPEURAWOM-MNOVXSKESA-N -1 3 379.446 0.084 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001571151014 952671630 /nfs/dbraw/zinc/67/16/30/952671630.db2.gz IUCJAPMZHCZRAE-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001571151014 952671634 /nfs/dbraw/zinc/67/16/34/952671634.db2.gz IUCJAPMZHCZRAE-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM CCS(=O)(=O)N(C)CC(=O)Nc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001571151104 952672686 /nfs/dbraw/zinc/67/26/86/952672686.db2.gz LMIRPYYMCPRTNY-UHFFFAOYSA-N -1 3 379.446 0.361 20 0 GCADHM CCS(=O)(=O)N(C)CC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001571151104 952672688 /nfs/dbraw/zinc/67/26/88/952672688.db2.gz LMIRPYYMCPRTNY-UHFFFAOYSA-N -1 3 379.446 0.361 20 0 GCADHM NS(=O)(=O)c1cc(CNCc2ccc(-c3nnn[n-]3)cn2)ccc1Cl ZINC001571152197 952681380 /nfs/dbraw/zinc/68/13/80/952681380.db2.gz DFTFDLGXLWEZML-UHFFFAOYSA-N -1 3 379.833 0.852 20 0 GCADHM NS(=O)(=O)c1cc(CNCc2ccc(-c3nn[n-]n3)cn2)ccc1Cl ZINC001571152197 952681383 /nfs/dbraw/zinc/68/13/83/952681383.db2.gz DFTFDLGXLWEZML-UHFFFAOYSA-N -1 3 379.833 0.852 20 0 GCADHM CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)nn1 ZINC001571153934 952688146 /nfs/dbraw/zinc/68/81/46/952688146.db2.gz WHDUGEWOZBVYQI-UHFFFAOYSA-N -1 3 379.789 0.966 20 0 GCADHM CS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)nn1 ZINC001571153934 952688151 /nfs/dbraw/zinc/68/81/51/952688151.db2.gz WHDUGEWOZBVYQI-UHFFFAOYSA-N -1 3 379.789 0.966 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1cncc(C)c1 ZINC001571154861 952690826 /nfs/dbraw/zinc/69/08/26/952690826.db2.gz CMSFFIRZKJDDMB-HUUCEWRRSA-N -1 3 380.412 0.599 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1cncc(C)c1 ZINC001571154861 952690830 /nfs/dbraw/zinc/69/08/30/952690830.db2.gz CMSFFIRZKJDDMB-HUUCEWRRSA-N -1 3 380.412 0.599 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001571155024 952691179 /nfs/dbraw/zinc/69/11/79/952691179.db2.gz DXONTSOUKYMIPK-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001571155024 952691180 /nfs/dbraw/zinc/69/11/80/952691180.db2.gz DXONTSOUKYMIPK-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM COC(=O)c1ccc(CN2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)nc1 ZINC001571155069 952692738 /nfs/dbraw/zinc/69/27/38/952692738.db2.gz GMFQGNVLDHKSIU-UHFFFAOYSA-N -1 3 380.412 0.766 20 0 GCADHM COC(=O)c1ccc(CN2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)nc1 ZINC001571155069 952692742 /nfs/dbraw/zinc/69/27/42/952692742.db2.gz GMFQGNVLDHKSIU-UHFFFAOYSA-N -1 3 380.412 0.766 20 0 GCADHM O=C(CNC(=O)COc1ccccc1)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001571155157 952693568 /nfs/dbraw/zinc/69/35/68/952693568.db2.gz JGXOFOKNYRNIPM-UHFFFAOYSA-N -1 3 380.408 0.721 20 0 GCADHM O=C(CNC(=O)COc1ccccc1)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001571155157 952693570 /nfs/dbraw/zinc/69/35/70/952693570.db2.gz JGXOFOKNYRNIPM-UHFFFAOYSA-N -1 3 380.408 0.721 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CN1C(=O)c1ccn(C)c(=O)c1 ZINC001571155270 952694596 /nfs/dbraw/zinc/69/45/96/952694596.db2.gz MJMDRLQYTUPBSY-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CN1C(=O)c1ccn(C)c(=O)c1 ZINC001571155270 952694598 /nfs/dbraw/zinc/69/45/98/952694598.db2.gz MJMDRLQYTUPBSY-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM CCc1ccnc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c1 ZINC001571155248 952695066 /nfs/dbraw/zinc/69/50/66/952695066.db2.gz LQFLIMFRUQYIMP-UHFFFAOYSA-N -1 3 380.412 0.750 20 0 GCADHM CCc1ccnc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c1 ZINC001571155248 952695068 /nfs/dbraw/zinc/69/50/68/952695068.db2.gz LQFLIMFRUQYIMP-UHFFFAOYSA-N -1 3 380.412 0.750 20 0 GCADHM CCc1ccnc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571155396 952696849 /nfs/dbraw/zinc/69/68/49/952696849.db2.gz QNXGLSVNFYCUIV-JOCQHMNTSA-N -1 3 380.412 0.843 20 0 GCADHM CCc1ccnc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571155396 952696852 /nfs/dbraw/zinc/69/68/52/952696852.db2.gz QNXGLSVNFYCUIV-JOCQHMNTSA-N -1 3 380.412 0.843 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001571155472 952697680 /nfs/dbraw/zinc/69/76/80/952697680.db2.gz TWXHKDMZSSHZRR-CQSZACIVSA-N -1 3 380.412 0.311 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001571155472 952697684 /nfs/dbraw/zinc/69/76/84/952697684.db2.gz TWXHKDMZSSHZRR-CQSZACIVSA-N -1 3 380.412 0.311 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3CCN(C(=O)Cn4ccnc4)[C@@H]3C2)n1 ZINC001571156528 952702617 /nfs/dbraw/zinc/70/26/17/952702617.db2.gz CSPHIDXTLBDTAU-DZGCQCFKSA-N -1 3 379.428 0.504 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3CCN(C(=O)Cn4ccnc4)[C@@H]3C2)n1 ZINC001571156528 952702620 /nfs/dbraw/zinc/70/26/20/952702620.db2.gz CSPHIDXTLBDTAU-DZGCQCFKSA-N -1 3 379.428 0.504 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)ccc1-c1nn[n-]n1 ZINC001571156805 952705011 /nfs/dbraw/zinc/70/50/11/952705011.db2.gz KGPSBFNNZJKKCX-KBPBESRZSA-N -1 3 379.428 0.565 20 0 GCADHM Cc1cc(=O)c(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571157900 952707869 /nfs/dbraw/zinc/70/78/69/952707869.db2.gz BZCDYNDSSDKGIJ-TXEJJXNPSA-N -1 3 380.412 0.879 20 0 GCADHM Cc1cc(=O)c(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571157900 952707872 /nfs/dbraw/zinc/70/78/72/952707872.db2.gz BZCDYNDSSDKGIJ-TXEJJXNPSA-N -1 3 380.412 0.879 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571157876 952708202 /nfs/dbraw/zinc/70/82/02/952708202.db2.gz BGXYXBZBMJCJHX-LBPRGKRZSA-N -1 3 380.412 0.790 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571157876 952708208 /nfs/dbraw/zinc/70/82/08/952708208.db2.gz BGXYXBZBMJCJHX-LBPRGKRZSA-N -1 3 380.412 0.790 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)ccn1 ZINC001571158660 952713116 /nfs/dbraw/zinc/71/31/16/952713116.db2.gz LVKGJQQIQAWQML-GFCCVEGCSA-N -1 3 380.412 0.922 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)ccn1 ZINC001571158660 952713125 /nfs/dbraw/zinc/71/31/25/952713125.db2.gz LVKGJQQIQAWQML-GFCCVEGCSA-N -1 3 380.412 0.922 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc1C ZINC001571159242 952717023 /nfs/dbraw/zinc/71/70/23/952717023.db2.gz RHAOHPUBJMJJDF-ZDUSSCGKSA-N -1 3 380.412 0.851 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc1C ZINC001571159242 952717027 /nfs/dbraw/zinc/71/70/27/952717027.db2.gz RHAOHPUBJMJJDF-ZDUSSCGKSA-N -1 3 380.412 0.851 20 0 GCADHM Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)cc1-c1nnn[n-]1 ZINC001571159229 952717444 /nfs/dbraw/zinc/71/74/44/952717444.db2.gz REBFBZLRNPBBMU-HIFRSBDPSA-N -1 3 380.412 0.221 20 0 GCADHM Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)cc1-c1nn[n-]n1 ZINC001571159229 952717448 /nfs/dbraw/zinc/71/74/48/952717448.db2.gz REBFBZLRNPBBMU-HIFRSBDPSA-N -1 3 380.412 0.221 20 0 GCADHM Cc1cccnc1C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571159105 952717468 /nfs/dbraw/zinc/71/74/68/952717468.db2.gz QMFPAFIAFNFOMF-ZDUSSCGKSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cccnc1C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571159105 952717471 /nfs/dbraw/zinc/71/74/71/952717471.db2.gz QMFPAFIAFNFOMF-ZDUSSCGKSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1C ZINC001571159276 952718107 /nfs/dbraw/zinc/71/81/07/952718107.db2.gz SUQKUQJKZKQCRS-UHFFFAOYSA-N -1 3 380.412 0.231 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1C ZINC001571159276 952718111 /nfs/dbraw/zinc/71/81/11/952718111.db2.gz SUQKUQJKZKQCRS-UHFFFAOYSA-N -1 3 380.412 0.231 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cc(C)n1 ZINC001571159499 952719629 /nfs/dbraw/zinc/71/96/29/952719629.db2.gz WLYBAEWUJHBMJU-CYBMUJFWSA-N -1 3 380.412 0.851 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cc(C)n1 ZINC001571159499 952719633 /nfs/dbraw/zinc/71/96/33/952719633.db2.gz WLYBAEWUJHBMJU-CYBMUJFWSA-N -1 3 380.412 0.851 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)n1 ZINC001571159551 952720623 /nfs/dbraw/zinc/72/06/23/952720623.db2.gz XVWYFIOMGXTSHQ-UKRRQHHQSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)n1 ZINC001571159551 952720627 /nfs/dbraw/zinc/72/06/27/952720627.db2.gz XVWYFIOMGXTSHQ-UKRRQHHQSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3CCN(C(=O)Cc4ncc[nH]4)[C@@H]3C2)n1 ZINC001571159799 952721598 /nfs/dbraw/zinc/72/15/98/952721598.db2.gz XFHVDYAUTJFPBS-GXTWGEPZSA-N -1 3 379.428 0.573 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3CCN(C(=O)Cc4ncc[nH]4)[C@@H]3C2)n1 ZINC001571159799 952721602 /nfs/dbraw/zinc/72/16/02/952721602.db2.gz XFHVDYAUTJFPBS-GXTWGEPZSA-N -1 3 379.428 0.573 20 0 GCADHM O=C(NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1)c1ccccn1 ZINC001571160082 952723443 /nfs/dbraw/zinc/72/34/43/952723443.db2.gz DEEQTIAOGCSQNT-ZDUSSCGKSA-N -1 3 380.412 0.682 20 0 GCADHM O=C(NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1)c1ccccn1 ZINC001571160082 952723447 /nfs/dbraw/zinc/72/34/47/952723447.db2.gz DEEQTIAOGCSQNT-ZDUSSCGKSA-N -1 3 380.412 0.682 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)ccc1=O ZINC001571160493 952726781 /nfs/dbraw/zinc/72/67/81/952726781.db2.gz IGGYWWRQDYOWOM-ZDUSSCGKSA-N -1 3 380.412 0.677 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)ccc1=O ZINC001571160493 952726788 /nfs/dbraw/zinc/72/67/88/952726788.db2.gz IGGYWWRQDYOWOM-ZDUSSCGKSA-N -1 3 380.412 0.677 20 0 GCADHM O=C(Cn1ccccc1=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571160804 952728371 /nfs/dbraw/zinc/72/83/71/952728371.db2.gz MESUDVZDGQIFJW-ZDUSSCGKSA-N -1 3 380.412 0.384 20 0 GCADHM O=C(Cn1ccccc1=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571160804 952728375 /nfs/dbraw/zinc/72/83/75/952728375.db2.gz MESUDVZDGQIFJW-ZDUSSCGKSA-N -1 3 380.412 0.384 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2ccncc2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571160974 952729558 /nfs/dbraw/zinc/72/95/58/952729558.db2.gz OBQSVOUOEMHPLF-RISCZKNCSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2ccncc2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571160974 952729562 /nfs/dbraw/zinc/72/95/62/952729562.db2.gz OBQSVOUOEMHPLF-RISCZKNCSA-N -1 3 380.412 0.918 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571161195 952731198 /nfs/dbraw/zinc/73/11/98/952731198.db2.gz QRDHEDYWXZCUOA-UHFFFAOYSA-N -1 3 380.412 0.313 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571161195 952731200 /nfs/dbraw/zinc/73/12/00/952731200.db2.gz QRDHEDYWXZCUOA-UHFFFAOYSA-N -1 3 380.412 0.313 20 0 GCADHM NC(=O)CN1CCc2ccccc2[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571161265 952732187 /nfs/dbraw/zinc/73/21/87/952732187.db2.gz TWOZSGCSIZYYKK-OAHLLOKOSA-N -1 3 380.412 0.009 20 0 GCADHM NC(=O)CN1CCc2ccccc2[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571161265 952732192 /nfs/dbraw/zinc/73/21/92/952732192.db2.gz TWOZSGCSIZYYKK-OAHLLOKOSA-N -1 3 380.412 0.009 20 0 GCADHM Cc1cnc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)c1 ZINC001571161585 952733195 /nfs/dbraw/zinc/73/31/95/952733195.db2.gz XDMDOYKUSSFFJU-GFCCVEGCSA-N -1 3 380.412 0.851 20 0 GCADHM Cc1cnc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)c1 ZINC001571161585 952733197 /nfs/dbraw/zinc/73/31/97/952733197.db2.gz XDMDOYKUSSFFJU-GFCCVEGCSA-N -1 3 380.412 0.851 20 0 GCADHM CN(C(=O)c1cc(C2CC2)n[nH]1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571161950 952736762 /nfs/dbraw/zinc/73/67/62/952736762.db2.gz GABKVJPLOQTWIE-LLVKDONJSA-N -1 3 380.416 0.608 20 0 GCADHM C[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571162178 952739866 /nfs/dbraw/zinc/73/98/66/952739866.db2.gz MXGJSLAZOGNGRB-XPTSAGLGSA-N -1 3 380.416 0.830 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(C)nn2)C3)n1 ZINC001571162638 952745495 /nfs/dbraw/zinc/74/54/95/952745495.db2.gz WZBNKUVQIOKWOL-QKCSRTOESA-N -1 3 380.416 0.238 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn(C)nn2)C3)n1 ZINC001571162638 952745499 /nfs/dbraw/zinc/74/54/99/952745499.db2.gz WZBNKUVQIOKWOL-QKCSRTOESA-N -1 3 380.416 0.238 20 0 GCADHM O=C(Cn1cncn1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571164991 952745914 /nfs/dbraw/zinc/74/59/14/952745914.db2.gz AFLWBGADUQPHGF-GUYCJALGSA-N -1 3 380.416 0.171 20 0 GCADHM O=C(Cn1cncn1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571164991 952745916 /nfs/dbraw/zinc/74/59/16/952745916.db2.gz AFLWBGADUQPHGF-GUYCJALGSA-N -1 3 380.416 0.171 20 0 GCADHM O=C(Cn1cncn1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571164983 952746135 /nfs/dbraw/zinc/74/61/35/952746135.db2.gz AFLWBGADUQPHGF-CXAGYDPISA-N -1 3 380.416 0.171 20 0 GCADHM O=C(Cn1cncn1)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571164983 952746136 /nfs/dbraw/zinc/74/61/36/952746136.db2.gz AFLWBGADUQPHGF-CXAGYDPISA-N -1 3 380.416 0.171 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C23CCC3)n1 ZINC001571165123 952747036 /nfs/dbraw/zinc/74/70/36/952747036.db2.gz CMFDGZKEULXKRC-KBPBESRZSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C23CCC3)n1 ZINC001571165123 952747038 /nfs/dbraw/zinc/74/70/38/952747038.db2.gz CMFDGZKEULXKRC-KBPBESRZSA-N -1 3 380.416 0.543 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001571165453 952750731 /nfs/dbraw/zinc/75/07/31/952750731.db2.gz HDNQAJZMAJPQEM-BZPMIXESSA-N -1 3 380.416 0.088 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[n-]n2)n1 ZINC001571165453 952750733 /nfs/dbraw/zinc/75/07/33/952750733.db2.gz HDNQAJZMAJPQEM-BZPMIXESSA-N -1 3 380.416 0.088 20 0 GCADHM Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)[nH]1 ZINC001571165844 952756525 /nfs/dbraw/zinc/75/65/25/952756525.db2.gz MGEKLJATTSULMK-TXEJJXNPSA-N -1 3 380.416 0.490 20 0 GCADHM Cc1nc(N2CC[C@H](N(C)C(=O)c3nccnc3N)C2)ccc1-c1nnn[n-]1 ZINC001571166135 952758174 /nfs/dbraw/zinc/75/81/74/952758174.db2.gz OMZAGZDSAKHEDN-NSHDSACASA-N -1 3 380.416 0.293 20 0 GCADHM Cc1nc(N2CC[C@H](N(C)C(=O)c3nccnc3N)C2)ccc1-c1nn[n-]n1 ZINC001571166135 952758177 /nfs/dbraw/zinc/75/81/77/952758177.db2.gz OMZAGZDSAKHEDN-NSHDSACASA-N -1 3 380.416 0.293 20 0 GCADHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166310 952759807 /nfs/dbraw/zinc/75/98/07/952759807.db2.gz QPHXEDCXDUITPZ-QJPTWQEYSA-N -1 3 380.416 0.207 20 0 GCADHM O=C(c1cn[nH]n1)N1CCC2(C1)CCN(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571166307 952760001 /nfs/dbraw/zinc/76/00/01/952760001.db2.gz QOEHYYRVKXPRCX-UHFFFAOYSA-N -1 3 380.416 0.513 20 0 GCADHM O=C(c1nc[nH]n1)N1CC[C@@]2(C1)CCCN(c1ncccc1-c1nn[n-]n1)C2 ZINC001571166325 952760965 /nfs/dbraw/zinc/76/09/65/952760965.db2.gz LMWLXACFZLOZQZ-KRWDZBQOSA-N -1 3 380.416 0.513 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571166881 952766637 /nfs/dbraw/zinc/76/66/37/952766637.db2.gz YNVQIGQCHAGNEE-SUMWQHHRSA-N -1 3 380.416 0.240 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571166881 952766643 /nfs/dbraw/zinc/76/66/43/952766643.db2.gz YNVQIGQCHAGNEE-SUMWQHHRSA-N -1 3 380.416 0.240 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001571166940 952767632 /nfs/dbraw/zinc/76/76/32/952767632.db2.gz YVIWFHNVVQAMNO-NEPJUHHUSA-N -1 3 380.416 0.572 20 0 GCADHM Nc1sc2c(c1-c1nnn[n-]1)CCN(C(=O)C[C@H]1C=CS(=O)(=O)C1)C2 ZINC001571167045 952769245 /nfs/dbraw/zinc/76/92/45/952769245.db2.gz UFVGBNMAJADAOE-MRVPVSSYSA-N -1 3 380.455 0.344 20 0 GCADHM Nc1sc2c(c1-c1nn[n-]n1)CCN(C(=O)C[C@H]1C=CS(=O)(=O)C1)C2 ZINC001571167045 952769247 /nfs/dbraw/zinc/76/92/47/952769247.db2.gz UFVGBNMAJADAOE-MRVPVSSYSA-N -1 3 380.455 0.344 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)c1ccccc1O ZINC001571170178 952783774 /nfs/dbraw/zinc/78/37/74/952783774.db2.gz FEJHNYDBPDFFPL-GDBMZVCRSA-N -1 3 381.396 0.601 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001571170342 952784731 /nfs/dbraw/zinc/78/47/31/952784731.db2.gz GYQFMYOSJJRDDV-AAEUAGOBSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001571170342 952784735 /nfs/dbraw/zinc/78/47/35/952784735.db2.gz GYQFMYOSJJRDDV-AAEUAGOBSA-N -1 3 381.400 0.393 20 0 GCADHM Cc1ccccc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001571170219 952784826 /nfs/dbraw/zinc/78/48/26/952784826.db2.gz GIMCMNXMYPJRSE-CABCVRRESA-N -1 3 381.396 0.119 20 0 GCADHM Cc1ccccc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001571170219 952784828 /nfs/dbraw/zinc/78/48/28/952784828.db2.gz GIMCMNXMYPJRSE-CABCVRRESA-N -1 3 381.396 0.119 20 0 GCADHM COc1ccccc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571170229 952784837 /nfs/dbraw/zinc/78/48/37/952784837.db2.gz GMMWMSZRDSQXLO-GFCCVEGCSA-N -1 3 381.396 0.848 20 0 GCADHM COc1ccccc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571170229 952784840 /nfs/dbraw/zinc/78/48/40/952784840.db2.gz GMMWMSZRDSQXLO-GFCCVEGCSA-N -1 3 381.396 0.848 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001571170345 952785038 /nfs/dbraw/zinc/78/50/38/952785038.db2.gz GYQFMYOSJJRDDV-YPMHNXCESA-N -1 3 381.400 0.393 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001571170345 952785042 /nfs/dbraw/zinc/78/50/42/952785042.db2.gz GYQFMYOSJJRDDV-YPMHNXCESA-N -1 3 381.400 0.393 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571170785 952788692 /nfs/dbraw/zinc/78/86/92/952788692.db2.gz LMKYTCNGHADWNN-GFCCVEGCSA-N -1 3 381.400 0.720 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571170785 952788698 /nfs/dbraw/zinc/78/86/98/952788698.db2.gz LMKYTCNGHADWNN-GFCCVEGCSA-N -1 3 381.400 0.720 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571171098 952791518 /nfs/dbraw/zinc/79/15/18/952791518.db2.gz OHUXIPZVYBHKNW-MFKMUULPSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571171098 952791522 /nfs/dbraw/zinc/79/15/22/952791522.db2.gz OHUXIPZVYBHKNW-MFKMUULPSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571171096 952791975 /nfs/dbraw/zinc/79/19/75/952791975.db2.gz OHUXIPZVYBHKNW-GWCFXTLKSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571171096 952791978 /nfs/dbraw/zinc/79/19/78/952791978.db2.gz OHUXIPZVYBHKNW-GWCFXTLKSA-N -1 3 381.400 0.545 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)o1 ZINC001571171287 952792682 /nfs/dbraw/zinc/79/26/82/952792682.db2.gz QQZGCNYRUCUWBD-VIKVFOODSA-N -1 3 381.396 0.526 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)o1 ZINC001571171287 952792687 /nfs/dbraw/zinc/79/26/87/952792687.db2.gz QQZGCNYRUCUWBD-VIKVFOODSA-N -1 3 381.396 0.526 20 0 GCADHM CC1(C)CN(C(=O)c2ccncn2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571171328 952793053 /nfs/dbraw/zinc/79/30/53/952793053.db2.gz QXEAJEVVZJBDJI-CYBMUJFWSA-N -1 3 381.400 0.265 20 0 GCADHM CC1(C)CN(C(=O)c2ccncn2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571171328 952793055 /nfs/dbraw/zinc/79/30/55/952793055.db2.gz QXEAJEVVZJBDJI-CYBMUJFWSA-N -1 3 381.400 0.265 20 0 GCADHM O=C(c1cccnn1)N1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nnn[n-]2)cc1F ZINC001571171379 952793083 /nfs/dbraw/zinc/79/30/83/952793083.db2.gz RURCYQHNZRVTGI-TXEJJXNPSA-N -1 3 381.375 0.684 20 0 GCADHM O=C(c1cccnn1)N1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nn[n-]n2)cc1F ZINC001571171379 952793086 /nfs/dbraw/zinc/79/30/86/952793086.db2.gz RURCYQHNZRVTGI-TXEJJXNPSA-N -1 3 381.375 0.684 20 0 GCADHM O=C(Cc1nc[nH]n1)N[C@@H]1CCN(c2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001571172256 952804053 /nfs/dbraw/zinc/80/40/53/952804053.db2.gz QWVHNSXPYJRPJH-ZCFIWIBFSA-N -1 3 380.825 0.032 20 0 GCADHM O=C(Cc1nc[nH]n1)N[C@@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571172256 952804060 /nfs/dbraw/zinc/80/40/60/952804060.db2.gz QWVHNSXPYJRPJH-ZCFIWIBFSA-N -1 3 380.825 0.032 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ccnnc1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571174567 952809460 /nfs/dbraw/zinc/80/94/60/952809460.db2.gz ALLJMDJFLVFVKM-LBPRGKRZSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ccnnc1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571174567 952809468 /nfs/dbraw/zinc/80/94/68/952809468.db2.gz ALLJMDJFLVFVKM-LBPRGKRZSA-N -1 3 381.400 0.362 20 0 GCADHM O=S(=O)(N[C@@H](CO)c1ccc(Cl)cc1)c1cncc(-c2nnn[n-]2)c1 ZINC001571172827 952810004 /nfs/dbraw/zinc/81/00/04/952810004.db2.gz YKALVMHYXWBLGZ-ZDUSSCGKSA-N -1 3 380.817 0.927 20 0 GCADHM O=S(=O)(N[C@@H](CO)c1ccc(Cl)cc1)c1cncc(-c2nn[n-]n2)c1 ZINC001571172827 952810015 /nfs/dbraw/zinc/81/00/15/952810015.db2.gz YKALVMHYXWBLGZ-ZDUSSCGKSA-N -1 3 380.817 0.927 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ncn1 ZINC001571174657 952811393 /nfs/dbraw/zinc/81/13/93/952811393.db2.gz DJENLWMTPXYSSD-NSHDSACASA-N -1 3 381.400 0.185 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ncn1 ZINC001571174657 952811398 /nfs/dbraw/zinc/81/13/98/952811398.db2.gz DJENLWMTPXYSSD-NSHDSACASA-N -1 3 381.400 0.185 20 0 GCADHM COc1cncc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571174612 952811599 /nfs/dbraw/zinc/81/15/99/952811599.db2.gz BZCJRQGAPCHGNK-LBPRGKRZSA-N -1 3 381.400 0.411 20 0 GCADHM COc1cncc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571174612 952811605 /nfs/dbraw/zinc/81/16/05/952811605.db2.gz BZCJRQGAPCHGNK-LBPRGKRZSA-N -1 3 381.400 0.411 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)ncn1 ZINC001571174824 952815019 /nfs/dbraw/zinc/81/50/19/952815019.db2.gz JJHSPDQZWSQNER-LLVKDONJSA-N -1 3 381.400 0.317 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)ncn1 ZINC001571174824 952815026 /nfs/dbraw/zinc/81/50/26/952815026.db2.gz JJHSPDQZWSQNER-LLVKDONJSA-N -1 3 381.400 0.317 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)ncn1 ZINC001571175087 952817667 /nfs/dbraw/zinc/81/76/67/952817667.db2.gz PCEDQFJYAGYNHS-WDEREUQCSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)ncn1 ZINC001571175087 952817672 /nfs/dbraw/zinc/81/76/72/952817672.db2.gz PCEDQFJYAGYNHS-WDEREUQCSA-N -1 3 381.400 0.326 20 0 GCADHM COc1nccc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571175143 952818550 /nfs/dbraw/zinc/81/85/50/952818550.db2.gz QQWQHZYCKWLFQJ-LLVKDONJSA-N -1 3 381.400 0.635 20 0 GCADHM COc1nccc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571175143 952818554 /nfs/dbraw/zinc/81/85/54/952818554.db2.gz QQWQHZYCKWLFQJ-LLVKDONJSA-N -1 3 381.400 0.635 20 0 GCADHM COc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)[C@@H]2C)nn1 ZINC001571175276 952819191 /nfs/dbraw/zinc/81/91/91/952819191.db2.gz RLZDFCVIYRUWIL-JQWIXIFHSA-N -1 3 381.400 0.775 20 0 GCADHM COc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)[C@@H]2C)nn1 ZINC001571175276 952819197 /nfs/dbraw/zinc/81/91/97/952819197.db2.gz RLZDFCVIYRUWIL-JQWIXIFHSA-N -1 3 381.400 0.775 20 0 GCADHM O=C(N[C@H]1CC[C@@H](CNC(=O)c2cccnn2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571175294 952819910 /nfs/dbraw/zinc/81/99/10/952819910.db2.gz AJPFSLJRTMYYEA-MNOVXSKESA-N -1 3 381.400 0.313 20 0 GCADHM O=C(N[C@H]1CC[C@@H](CNC(=O)c2cccnn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571175294 952819912 /nfs/dbraw/zinc/81/99/12/952819912.db2.gz AJPFSLJRTMYYEA-MNOVXSKESA-N -1 3 381.400 0.313 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(=O)[nH]c1C ZINC001571175403 952820357 /nfs/dbraw/zinc/82/03/57/952820357.db2.gz BZWYRZFCOADCJB-HAQNSBGRSA-N -1 3 381.400 0.335 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c(=O)[nH]c1C ZINC001571175403 952820359 /nfs/dbraw/zinc/82/03/59/952820359.db2.gz BZWYRZFCOADCJB-HAQNSBGRSA-N -1 3 381.400 0.335 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)ccc1-c1nnn[n-]1 ZINC001571175391 952821524 /nfs/dbraw/zinc/82/15/24/952821524.db2.gz BVNWAAQNNLPQTJ-LLVKDONJSA-N -1 3 381.400 0.486 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)c3cc4n(n3)CCO4)C2)ccc1-c1nn[n-]n1 ZINC001571175391 952821529 /nfs/dbraw/zinc/82/15/29/952821529.db2.gz BVNWAAQNNLPQTJ-LLVKDONJSA-N -1 3 381.400 0.486 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571175428 952822931 /nfs/dbraw/zinc/82/29/31/952822931.db2.gz CKFKGKAMMIZCNM-SMDDNHRTSA-N -1 3 381.400 0.233 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571175428 952822938 /nfs/dbraw/zinc/82/29/38/952822938.db2.gz CKFKGKAMMIZCNM-SMDDNHRTSA-N -1 3 381.400 0.233 20 0 GCADHM COc1ncc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571175643 952824235 /nfs/dbraw/zinc/82/42/35/952824235.db2.gz YEYIPLHOSNQBDA-LLVKDONJSA-N -1 3 381.400 0.635 20 0 GCADHM COc1ncc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571175643 952824238 /nfs/dbraw/zinc/82/42/38/952824238.db2.gz YEYIPLHOSNQBDA-LLVKDONJSA-N -1 3 381.400 0.635 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC2CC(N(C)C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571175764 952826143 /nfs/dbraw/zinc/82/61/43/952826143.db2.gz YQSUMPLKISWWQU-UHFFFAOYSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC2CC(N(C)C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571175764 952826150 /nfs/dbraw/zinc/82/61/50/952826150.db2.gz YQSUMPLKISWWQU-UHFFFAOYSA-N -1 3 381.400 0.781 20 0 GCADHM Cn1cc(N2C[C@H](C(=O)NCc3cncc(-c4nnn[n-]4)c3)CCC2=O)cn1 ZINC001571175906 952827125 /nfs/dbraw/zinc/82/71/25/952827125.db2.gz HMZKWUFFALGAER-GFCCVEGCSA-N -1 3 381.400 0.055 20 0 GCADHM Cn1cc(N2C[C@H](C(=O)NCc3cncc(-c4nn[n-]n4)c3)CCC2=O)cn1 ZINC001571175906 952827128 /nfs/dbraw/zinc/82/71/28/952827128.db2.gz HMZKWUFFALGAER-GFCCVEGCSA-N -1 3 381.400 0.055 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2n[nH]c3c2CCC3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571176139 952829639 /nfs/dbraw/zinc/82/96/39/952829639.db2.gz MHRYIEMUPQPBHA-KYZUINATSA-N -1 3 381.400 0.097 20 0 GCADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1)c1cccnn1 ZINC001571176323 952830323 /nfs/dbraw/zinc/83/03/23/952830323.db2.gz PKYDEDVNZIJPJS-GFCCVEGCSA-N -1 3 381.400 0.077 20 0 GCADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1)c1cccnn1 ZINC001571176323 952830327 /nfs/dbraw/zinc/83/03/27/952830327.db2.gz PKYDEDVNZIJPJS-GFCCVEGCSA-N -1 3 381.400 0.077 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571176353 952830341 /nfs/dbraw/zinc/83/03/41/952830341.db2.gz QFSPZIZNWCHDQL-NSHDSACASA-N -1 3 381.400 0.405 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)[nH]1 ZINC001571176353 952830344 /nfs/dbraw/zinc/83/03/44/952830344.db2.gz QFSPZIZNWCHDQL-NSHDSACASA-N -1 3 381.400 0.405 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571176316 952830944 /nfs/dbraw/zinc/83/09/44/952830944.db2.gz PCKLGKNVNQNPLQ-CMPLNLGQSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571176316 952830950 /nfs/dbraw/zinc/83/09/50/952830950.db2.gz PCKLGKNVNQNPLQ-CMPLNLGQSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571176588 952832916 /nfs/dbraw/zinc/83/29/16/952832916.db2.gz VJWWNQKUCWJKRC-UMSPYCQHSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1nnccc1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571176588 952832924 /nfs/dbraw/zinc/83/29/24/952832924.db2.gz VJWWNQKUCWJKRC-UMSPYCQHSA-N -1 3 381.400 0.232 20 0 GCADHM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1)c1cnon1 ZINC001571176554 952833161 /nfs/dbraw/zinc/83/31/61/952833161.db2.gz UTRWQCVPEHMRIA-IJLUTSLNSA-N -1 3 381.400 0.680 20 0 GCADHM O=C(N[C@@H]1CC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1)c1cnon1 ZINC001571176554 952833168 /nfs/dbraw/zinc/83/31/68/952833168.db2.gz UTRWQCVPEHMRIA-IJLUTSLNSA-N -1 3 381.400 0.680 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)[nH]1 ZINC001571176558 952833219 /nfs/dbraw/zinc/83/32/19/952833219.db2.gz UUXMLADWLHOVRM-NSHDSACASA-N -1 3 381.400 0.405 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)[nH]1 ZINC001571176558 952833223 /nfs/dbraw/zinc/83/32/23/952833223.db2.gz UUXMLADWLHOVRM-NSHDSACASA-N -1 3 381.400 0.405 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(Cc3noc(C4CC4)n3)C[C@H]21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571176638 952834381 /nfs/dbraw/zinc/83/43/81/952834381.db2.gz WPOLQPHOEMXNAI-YABSGUDNSA-N -1 3 381.400 0.315 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(Cc3noc(C4CC4)n3)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571176638 952834384 /nfs/dbraw/zinc/83/43/84/952834384.db2.gz WPOLQPHOEMXNAI-YABSGUDNSA-N -1 3 381.400 0.315 20 0 GCADHM Cc1nccc(C(=O)N[C@@H](C)C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571176625 952835097 /nfs/dbraw/zinc/83/50/97/952835097.db2.gz WHZWPCODEPKFMV-VIFPVBQESA-N -1 3 381.400 0.184 20 0 GCADHM Cc1nccc(C(=O)N[C@@H](C)C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571176625 952835101 /nfs/dbraw/zinc/83/51/01/952835101.db2.gz WHZWPCODEPKFMV-VIFPVBQESA-N -1 3 381.400 0.184 20 0 GCADHM O=C(c1cnon1)N1CCC[C@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571178213 952837568 /nfs/dbraw/zinc/83/75/68/952837568.db2.gz BJZKUQWYLGTJOG-QGZVFWFLSA-N -1 3 381.400 0.777 20 0 GCADHM O=C(c1cnon1)N1CCC[C@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571178213 952837571 /nfs/dbraw/zinc/83/75/71/952837571.db2.gz BJZKUQWYLGTJOG-QGZVFWFLSA-N -1 3 381.400 0.777 20 0 GCADHM O=C(Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001571178331 952838397 /nfs/dbraw/zinc/83/83/97/952838397.db2.gz GCOVKSRITOOHQM-DDTOSNHZSA-N -1 3 381.400 0.682 20 0 GCADHM O=C(Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001571178331 952838401 /nfs/dbraw/zinc/83/84/01/952838401.db2.gz GCOVKSRITOOHQM-DDTOSNHZSA-N -1 3 381.400 0.682 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC2(C1)CCCN(C(=O)c1cn[nH]c1)C2 ZINC001571178709 952845812 /nfs/dbraw/zinc/84/58/12/952845812.db2.gz RHRQELSSNAXKPT-UHFFFAOYSA-N -1 3 381.400 0.296 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC2(C1)CCCN(C(=O)c1cn[nH]c1)C2 ZINC001571178709 952845816 /nfs/dbraw/zinc/84/58/16/952845816.db2.gz RHRQELSSNAXKPT-UHFFFAOYSA-N -1 3 381.400 0.296 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 ZINC001571178776 952847266 /nfs/dbraw/zinc/84/72/66/952847266.db2.gz UAECIKYRFLAKOZ-LBPRGKRZSA-N -1 3 381.400 0.489 20 0 GCADHM O=C(c1cc2n(n1)CCO2)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571178800 952848421 /nfs/dbraw/zinc/84/84/21/952848421.db2.gz URMATZVAWOHVBN-NSHDSACASA-N -1 3 381.400 0.567 20 0 GCADHM O=C(c1cc2n(n1)CCO2)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571178800 952848430 /nfs/dbraw/zinc/84/84/30/952848430.db2.gz URMATZVAWOHVBN-NSHDSACASA-N -1 3 381.400 0.567 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1-c1nnn[n-]1 ZINC001571179675 952856289 /nfs/dbraw/zinc/85/62/89/952856289.db2.gz JESSGTDKASVJQF-CNBXADPUSA-N -1 3 381.440 0.927 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1-c1nn[n-]n1 ZINC001571179675 952856296 /nfs/dbraw/zinc/85/62/96/952856296.db2.gz JESSGTDKASVJQF-CNBXADPUSA-N -1 3 381.440 0.927 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571179905 952856828 /nfs/dbraw/zinc/85/68/28/952856828.db2.gz JYNAKCPTYMKTPQ-KKWMXKHBSA-N -1 3 381.440 0.818 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571179905 952856831 /nfs/dbraw/zinc/85/68/31/952856831.db2.gz JYNAKCPTYMKTPQ-KKWMXKHBSA-N -1 3 381.440 0.818 20 0 GCADHM COCCN1Cc2ccccc2C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571182962 952871515 /nfs/dbraw/zinc/87/15/15/952871515.db2.gz KUPRHSKRFYGKIA-MRXNPFEDSA-N -1 3 381.440 0.998 20 0 GCADHM C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571183073 952873457 /nfs/dbraw/zinc/87/34/57/952873457.db2.gz NOOLRBDQAKXDKL-KYTINCRQSA-N -1 3 381.440 0.439 20 0 GCADHM C[C@]12CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571183073 952873461 /nfs/dbraw/zinc/87/34/61/952873461.db2.gz NOOLRBDQAKXDKL-KYTINCRQSA-N -1 3 381.440 0.439 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CC[C@@H]1NC(=O)Cn1cccn1 ZINC001571183775 952883409 /nfs/dbraw/zinc/88/34/09/952883409.db2.gz JHJMBKRXFOYUPG-AWEZNQCLSA-N -1 3 381.444 0.880 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CC[C@@H]1NC(=O)Cn1cccn1 ZINC001571183775 952883412 /nfs/dbraw/zinc/88/34/12/952883412.db2.gz JHJMBKRXFOYUPG-AWEZNQCLSA-N -1 3 381.444 0.880 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571183881 952884691 /nfs/dbraw/zinc/88/46/91/952884691.db2.gz LVLJHWWNOXIALD-HNNXBMFYSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571183881 952884694 /nfs/dbraw/zinc/88/46/94/952884694.db2.gz LVLJHWWNOXIALD-HNNXBMFYSA-N -1 3 381.444 0.977 20 0 GCADHM CCn1cc(CC(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571184661 952896159 /nfs/dbraw/zinc/89/61/59/952896159.db2.gz CPEARNRXGKOOKA-AWEZNQCLSA-N -1 3 381.444 0.806 20 0 GCADHM CCn1cc(CC(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571184661 952896163 /nfs/dbraw/zinc/89/61/63/952896163.db2.gz CPEARNRXGKOOKA-AWEZNQCLSA-N -1 3 381.444 0.806 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)C1CCN(C(=O)Cc2ccn(C)n2)CC1 ZINC001571184846 952898013 /nfs/dbraw/zinc/89/80/13/952898013.db2.gz FFYWKRPACYUSMW-UHFFFAOYSA-N -1 3 381.444 0.665 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)C1CCN(C(=O)Cc2ccn(C)n2)CC1 ZINC001571184846 952898022 /nfs/dbraw/zinc/89/80/22/952898022.db2.gz FFYWKRPACYUSMW-UHFFFAOYSA-N -1 3 381.444 0.665 20 0 GCADHM CN(C)c1cc(CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)ccn1 ZINC001571184980 952898574 /nfs/dbraw/zinc/89/85/74/952898574.db2.gz GEHICCDEGOVUSU-CQSZACIVSA-N -1 3 381.444 0.660 20 0 GCADHM CN(C)c1cc(CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)ccn1 ZINC001571184980 952898581 /nfs/dbraw/zinc/89/85/81/952898581.db2.gz GEHICCDEGOVUSU-CQSZACIVSA-N -1 3 381.444 0.660 20 0 GCADHM Cc1c(CC(=O)N(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571185717 952903218 /nfs/dbraw/zinc/90/32/18/952903218.db2.gz OUVSPOLZBTWJBB-HNNXBMFYSA-N -1 3 381.444 0.583 20 0 GCADHM Cc1c(CC(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571185717 952903222 /nfs/dbraw/zinc/90/32/22/952903222.db2.gz OUVSPOLZBTWJBB-HNNXBMFYSA-N -1 3 381.444 0.583 20 0 GCADHM Cc1c(CC(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nc3)C2)cnn1C ZINC001571186038 952904521 /nfs/dbraw/zinc/90/45/21/952904521.db2.gz QOTPHKFDAVCXSD-UHFFFAOYSA-N -1 3 381.444 0.853 20 0 GCADHM Cc1c(CC(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nc3)C2)cnn1C ZINC001571186038 952904522 /nfs/dbraw/zinc/90/45/22/952904522.db2.gz QOTPHKFDAVCXSD-UHFFFAOYSA-N -1 3 381.444 0.853 20 0 GCADHM Cc1c(CC(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571186311 952906715 /nfs/dbraw/zinc/90/67/15/952906715.db2.gz WEVQVYFJRFPHOS-ZDUSSCGKSA-N -1 3 381.444 0.807 20 0 GCADHM Cc1c(CC(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571186311 952906717 /nfs/dbraw/zinc/90/67/17/952906717.db2.gz WEVQVYFJRFPHOS-ZDUSSCGKSA-N -1 3 381.444 0.807 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N(C)C[C@@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC001571187635 952908665 /nfs/dbraw/zinc/90/86/65/952908665.db2.gz ABDGHKRAPFKMFB-AWEZNQCLSA-N -1 3 381.444 0.752 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)C[C@@H]2CCN(C(=O)Cn3cccn3)C2)n1 ZINC001571187635 952908668 /nfs/dbraw/zinc/90/86/68/952908668.db2.gz ABDGHKRAPFKMFB-AWEZNQCLSA-N -1 3 381.444 0.752 20 0 GCADHM Cc1cnc(CN[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2(C)C)nc1 ZINC001571187905 952910370 /nfs/dbraw/zinc/91/03/70/952910370.db2.gz CQHVLOHDPKQXND-CQSZACIVSA-N -1 3 381.444 0.934 20 0 GCADHM Cc1cnc(CN[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2(C)C)nc1 ZINC001571187905 952910376 /nfs/dbraw/zinc/91/03/76/952910376.db2.gz CQHVLOHDPKQXND-CQSZACIVSA-N -1 3 381.444 0.934 20 0 GCADHM Cc1ccnn1CC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571187959 952911268 /nfs/dbraw/zinc/91/12/68/952911268.db2.gz DPMPWUCXDBIQPT-GXTWGEPZSA-N -1 3 381.444 0.973 20 0 GCADHM Cc1ccnn1CC(=O)N1C[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571187959 952911270 /nfs/dbraw/zinc/91/12/70/952911270.db2.gz DPMPWUCXDBIQPT-GXTWGEPZSA-N -1 3 381.444 0.973 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)Cn3cccn3)C(C)(C)C2)n1 ZINC001571188194 952912088 /nfs/dbraw/zinc/91/20/88/952912088.db2.gz HXFLBRLTXZVKHE-CQSZACIVSA-N -1 3 381.444 0.798 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)Cn3cccn3)C(C)(C)C2)n1 ZINC001571188194 952912090 /nfs/dbraw/zinc/91/20/90/952912090.db2.gz HXFLBRLTXZVKHE-CQSZACIVSA-N -1 3 381.444 0.798 20 0 GCADHM Cc1cc(C)n(CCN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571188186 952912717 /nfs/dbraw/zinc/91/27/17/952912717.db2.gz HOOSUXYIMBKDKF-KBPBESRZSA-N -1 3 381.444 0.607 20 0 GCADHM Cn1cc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC001571188740 952919563 /nfs/dbraw/zinc/91/95/63/952919563.db2.gz HFBWQBFIJAEBDO-CQSZACIVSA-N -1 3 381.444 0.713 20 0 GCADHM Cn1cc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC001571188740 952919566 /nfs/dbraw/zinc/91/95/66/952919566.db2.gz HFBWQBFIJAEBDO-CQSZACIVSA-N -1 3 381.444 0.713 20 0 GCADHM CN(C)c1nc(N)nc(CN2CCC(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571188742 952919613 /nfs/dbraw/zinc/91/96/13/952919613.db2.gz HIBKVKIUJORVPR-UHFFFAOYSA-N -1 3 381.448 0.475 20 0 GCADHM CN(C)c1nc(N)nc(CN2CCC(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571188742 952919615 /nfs/dbraw/zinc/91/96/15/952919615.db2.gz HIBKVKIUJORVPR-UHFFFAOYSA-N -1 3 381.448 0.475 20 0 GCADHM Cc1nc(N[C@@H]2CCCN(C(=O)Cc3cncn3C)C2)ccc1-c1nn[n-]n1 ZINC001571188736 952919988 /nfs/dbraw/zinc/91/99/88/952919988.db2.gz HDXKAVNKNUHKSW-CYBMUJFWSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CC2(C)C)n1C ZINC001571188939 952921803 /nfs/dbraw/zinc/92/18/03/952921803.db2.gz KMSKPDWQRLKOIM-CQSZACIVSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CC2(C)C)n1C ZINC001571188939 952921808 /nfs/dbraw/zinc/92/18/08/952921808.db2.gz KMSKPDWQRLKOIM-CQSZACIVSA-N -1 3 381.444 0.948 20 0 GCADHM CCN(C1CCN(C(=O)c2cc(-c3nnn[n-]3)[nH]c2C)CC1)S(C)(=O)=O ZINC001571189249 952926615 /nfs/dbraw/zinc/92/66/15/952926615.db2.gz ORVVPBYWZLBUTI-UHFFFAOYSA-N -1 3 381.462 0.389 20 0 GCADHM CCN(C1CCN(C(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CC1)S(C)(=O)=O ZINC001571189249 952926620 /nfs/dbraw/zinc/92/66/20/952926620.db2.gz ORVVPBYWZLBUTI-UHFFFAOYSA-N -1 3 381.462 0.389 20 0 GCADHM Cc1cncn1CC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571189242 952926851 /nfs/dbraw/zinc/92/68/51/952926851.db2.gz TYWLHTCXSOSBHH-UHFFFAOYSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1cncn1CC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571189242 952926854 /nfs/dbraw/zinc/92/68/54/952926854.db2.gz TYWLHTCXSOSBHH-UHFFFAOYSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)n1 ZINC001571189566 952930962 /nfs/dbraw/zinc/93/09/62/952930962.db2.gz XMAPQSNCBYOPJZ-ZDUSSCGKSA-N -1 3 381.444 0.867 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)n1 ZINC001571189566 952930967 /nfs/dbraw/zinc/93/09/67/952930967.db2.gz XMAPQSNCBYOPJZ-ZDUSSCGKSA-N -1 3 381.444 0.867 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571189616 952932123 /nfs/dbraw/zinc/93/21/23/952932123.db2.gz YRYOKNIOTWHEET-CQSZACIVSA-N -1 3 381.444 0.860 20 0 GCADHM O=C(Cc1ccc(Br)cc1-c1nnn[n-]1)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001571193076 952950192 /nfs/dbraw/zinc/95/01/92/952950192.db2.gz XQVQFDWYIAWVHU-WLLOZRIZSA-N -1 3 382.218 0.172 20 0 GCADHM O=C(Cc1ccc(Br)cc1-c1nn[n-]n1)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001571193076 952950196 /nfs/dbraw/zinc/95/01/96/952950196.db2.gz XQVQFDWYIAWVHU-WLLOZRIZSA-N -1 3 382.218 0.172 20 0 GCADHM CCc1nc(N[C@@H]2CCN(C(=O)c3cnc[nH]c3=O)C2)cc(-c2nnn[n-]2)n1 ZINC001571193833 952953474 /nfs/dbraw/zinc/95/34/74/952953474.db2.gz DVEIWPYNYXDDAZ-SECBINFHSA-N -1 3 382.388 0.041 20 0 GCADHM C[C@@H](NC(=O)c1cccc(=O)[nH]1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571194005 952955938 /nfs/dbraw/zinc/95/59/38/952955938.db2.gz DUFBZTQKORELME-SECBINFHSA-N -1 3 382.384 0.186 20 0 GCADHM C[C@@H](NC(=O)c1cccc(=O)[nH]1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571194005 952955943 /nfs/dbraw/zinc/95/59/43/952955943.db2.gz DUFBZTQKORELME-SECBINFHSA-N -1 3 382.384 0.186 20 0 GCADHM COC(=O)Cn1ccc(NC(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)n1 ZINC001571194039 952957258 /nfs/dbraw/zinc/95/72/58/952957258.db2.gz FDZZMQPEIRMSAL-ZDUSSCGKSA-N -1 3 382.384 0.525 20 0 GCADHM COC(=O)Cn1ccc(NC(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)n1 ZINC001571194039 952957263 /nfs/dbraw/zinc/95/72/63/952957263.db2.gz FDZZMQPEIRMSAL-ZDUSSCGKSA-N -1 3 382.384 0.525 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)o2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571194141 952958320 /nfs/dbraw/zinc/95/83/20/952958320.db2.gz HDSAIMFOOYNVNT-KOLCDFICSA-N -1 3 382.384 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(C(N)=O)o2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571194141 952958324 /nfs/dbraw/zinc/95/83/24/952958324.db2.gz HDSAIMFOOYNVNT-KOLCDFICSA-N -1 3 382.384 0.351 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnc(C2CC2)o1 ZINC001571194158 952958441 /nfs/dbraw/zinc/95/84/41/952958441.db2.gz HNMZQGSBSXHQMN-JTQLQIEISA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnc(C2CC2)o1 ZINC001571194158 952958442 /nfs/dbraw/zinc/95/84/42/952958442.db2.gz HNMZQGSBSXHQMN-JTQLQIEISA-N -1 3 382.384 0.705 20 0 GCADHM COc1ncc(NC(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)cc1C(N)=O ZINC001571194146 952958811 /nfs/dbraw/zinc/95/88/11/952958811.db2.gz HFXQMSHBHRHFFS-UHFFFAOYSA-N -1 3 382.384 0.999 20 0 GCADHM COc1ncc(NC(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)cc1C(N)=O ZINC001571194146 952958815 /nfs/dbraw/zinc/95/88/15/952958815.db2.gz HFXQMSHBHRHFFS-UHFFFAOYSA-N -1 3 382.384 0.999 20 0 GCADHM O=C(N[C@@H]1CC12CCN(C(=O)c1cocn1)CC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194187 952959365 /nfs/dbraw/zinc/95/93/65/952959365.db2.gz ICQGWXNXPAMZKT-CYBMUJFWSA-N -1 3 382.384 0.608 20 0 GCADHM O=C(N[C@@H]1CC12CCN(C(=O)c1cocn1)CC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194187 952959367 /nfs/dbraw/zinc/95/93/67/952959367.db2.gz ICQGWXNXPAMZKT-CYBMUJFWSA-N -1 3 382.384 0.608 20 0 GCADHM CC(=O)c1cn(CC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571194191 952959926 /nfs/dbraw/zinc/95/99/26/952959926.db2.gz ILCPVLQFEDCXJP-HNNXBMFYSA-N -1 3 382.384 0.261 20 0 GCADHM CC(=O)c1cn(CC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571194191 952959930 /nfs/dbraw/zinc/95/99/30/952959930.db2.gz ILCPVLQFEDCXJP-HNNXBMFYSA-N -1 3 382.384 0.261 20 0 GCADHM COc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nc2)co1 ZINC001571194276 952961181 /nfs/dbraw/zinc/96/11/81/952961181.db2.gz JOJDFAPYDFJKNU-TXEJJXNPSA-N -1 3 382.384 0.752 20 0 GCADHM COc1nc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nc2)co1 ZINC001571194276 952961185 /nfs/dbraw/zinc/96/11/85/952961185.db2.gz JOJDFAPYDFJKNU-TXEJJXNPSA-N -1 3 382.384 0.752 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1C(=O)c1cc[nH]c(=O)c1 ZINC001571194504 952964662 /nfs/dbraw/zinc/96/46/62/952964662.db2.gz OFZZHIDCDCGRCP-GXSJLCMTSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CN1C(=O)c1cc[nH]c(=O)c1 ZINC001571194504 952964666 /nfs/dbraw/zinc/96/46/66/952964666.db2.gz OFZZHIDCDCGRCP-GXSJLCMTSA-N -1 3 382.384 0.328 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)o1 ZINC001571194683 952967254 /nfs/dbraw/zinc/96/72/54/952967254.db2.gz QMXRLUFOVULLNP-SNVBAGLBSA-N -1 3 382.384 0.670 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)o1 ZINC001571194683 952967261 /nfs/dbraw/zinc/96/72/61/952967261.db2.gz QMXRLUFOVULLNP-SNVBAGLBSA-N -1 3 382.384 0.670 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O)[C@H]1CC1(F)F ZINC001571195033 952972633 /nfs/dbraw/zinc/97/26/33/952972633.db2.gz WPYXSRPVONSPEZ-RAIGVLPGSA-N -1 3 382.346 0.322 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O)[C@H]1CC1(F)F ZINC001571195033 952972635 /nfs/dbraw/zinc/97/26/35/952972635.db2.gz WPYXSRPVONSPEZ-RAIGVLPGSA-N -1 3 382.346 0.322 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001571195027 952972850 /nfs/dbraw/zinc/97/28/50/952972850.db2.gz WOUQQRNTQCNBBU-KOLCDFICSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(=O)[nH]c1 ZINC001571195027 952972854 /nfs/dbraw/zinc/97/28/54/952972854.db2.gz WOUQQRNTQCNBBU-KOLCDFICSA-N -1 3 382.384 0.328 20 0 GCADHM COC(=O)[C@H](Cc1ccccc1O)NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001571195124 952973560 /nfs/dbraw/zinc/97/35/60/952973560.db2.gz ZRMRCPWFBGJUFZ-AWEZNQCLSA-N -1 3 382.380 0.790 20 0 GCADHM COC(=O)[C@H](Cc1ccccc1O)NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001571195124 952973565 /nfs/dbraw/zinc/97/35/65/952973565.db2.gz ZRMRCPWFBGJUFZ-AWEZNQCLSA-N -1 3 382.380 0.790 20 0 GCADHM Cc1ccnn1CC(=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001571196955 952986312 /nfs/dbraw/zinc/98/63/12/952986312.db2.gz QUWGGRFLBJBRJV-PBKGOJFUSA-N -1 3 382.403 0.762 20 0 GCADHM Cc1ccnn1CC(=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001571196955 952986315 /nfs/dbraw/zinc/98/63/15/952986315.db2.gz QUWGGRFLBJBRJV-PBKGOJFUSA-N -1 3 382.403 0.762 20 0 GCADHM COc1ccc(CN2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571198734 952992351 /nfs/dbraw/zinc/99/23/51/952992351.db2.gz FDEKIXZRSCCDGE-ZDUSSCGKSA-N -1 3 382.428 0.993 20 0 GCADHM COc1ccc(CN2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571198734 952992354 /nfs/dbraw/zinc/99/23/54/952992354.db2.gz FDEKIXZRSCCDGE-ZDUSSCGKSA-N -1 3 382.428 0.993 20 0 GCADHM COc1cccc(CN2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001571198749 952992479 /nfs/dbraw/zinc/99/24/79/952992479.db2.gz FOSZGIDLYGOVLX-UHFFFAOYSA-N -1 3 382.428 0.947 20 0 GCADHM COc1cccc(CN2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001571198749 952992481 /nfs/dbraw/zinc/99/24/81/952992481.db2.gz FOSZGIDLYGOVLX-UHFFFAOYSA-N -1 3 382.428 0.947 20 0 GCADHM Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ccn1C ZINC001571198889 952993363 /nfs/dbraw/zinc/99/33/63/952993363.db2.gz HUBNIXKHVBGPTE-MFKMUULPSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ccn1C ZINC001571198889 952993368 /nfs/dbraw/zinc/99/33/68/952993368.db2.gz HUBNIXKHVBGPTE-MFKMUULPSA-N -1 3 382.428 0.875 20 0 GCADHM COc1ccc(CN2CCC[C@H](NC(=O)c3ncc[nH]3)C2)cc1-c1nnn[n-]1 ZINC001571198882 952993915 /nfs/dbraw/zinc/99/39/15/952993915.db2.gz HSCIFZOIMWAIOC-ZDUSSCGKSA-N -1 3 382.428 0.993 20 0 GCADHM CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571198902 952994136 /nfs/dbraw/zinc/99/41/36/952994136.db2.gz HWBCYEMUHSDRMQ-BXUZGUMPSA-N -1 3 382.428 0.907 20 0 GCADHM CCn1cccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571198902 952994138 /nfs/dbraw/zinc/99/41/38/952994138.db2.gz HWBCYEMUHSDRMQ-BXUZGUMPSA-N -1 3 382.428 0.907 20 0 GCADHM COc1ccnc(CN2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571198940 952995749 /nfs/dbraw/zinc/99/57/49/952995749.db2.gz INCYPLUZHMLDGP-NSHDSACASA-N -1 3 382.428 0.849 20 0 GCADHM COc1ccnc(CN2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571198940 952995754 /nfs/dbraw/zinc/99/57/54/952995754.db2.gz INCYPLUZHMLDGP-NSHDSACASA-N -1 3 382.428 0.849 20 0 GCADHM COc1ccc(CN2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571199689 953002918 /nfs/dbraw/zinc/00/29/18/953002918.db2.gz ZHNTWCUGHUBZFU-CQSZACIVSA-N -1 3 382.428 0.993 20 0 GCADHM COc1ccc(CN2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571199689 953002922 /nfs/dbraw/zinc/00/29/22/953002922.db2.gz ZHNTWCUGHUBZFU-CQSZACIVSA-N -1 3 382.428 0.993 20 0 GCADHM COCc1nnc2n1CCN(C(=O)Cc1c(C)cc(-c3nnn[n-]3)cc1C)C2 ZINC001571199711 953004023 /nfs/dbraw/zinc/00/40/23/953004023.db2.gz ZWHQEGCUNGBIEF-UHFFFAOYSA-N -1 3 382.428 0.806 20 0 GCADHM COCc1nnc2n1CCN(C(=O)Cc1c(C)cc(-c3nn[n-]n3)cc1C)C2 ZINC001571199711 953004027 /nfs/dbraw/zinc/00/40/27/953004027.db2.gz ZWHQEGCUNGBIEF-UHFFFAOYSA-N -1 3 382.428 0.806 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)n1C ZINC001571200117 953007353 /nfs/dbraw/zinc/00/73/53/953007353.db2.gz AWBOSCOVAKDXCL-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)n1C ZINC001571200117 953007356 /nfs/dbraw/zinc/00/73/56/953007356.db2.gz AWBOSCOVAKDXCL-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)n1C ZINC001571201042 953013964 /nfs/dbraw/zinc/01/39/64/953013964.db2.gz IPZCGHJJQDBGFS-NEPJUHHUSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)n1C ZINC001571201042 953013973 /nfs/dbraw/zinc/01/39/73/953013973.db2.gz IPZCGHJJQDBGFS-NEPJUHHUSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccc1 ZINC001571201113 953015370 /nfs/dbraw/zinc/01/53/70/953015370.db2.gz MTYSWOYZPDAOGS-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccc1 ZINC001571201113 953015375 /nfs/dbraw/zinc/01/53/75/953015375.db2.gz MTYSWOYZPDAOGS-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571201431 953017573 /nfs/dbraw/zinc/01/75/73/953017573.db2.gz PWKCCRDPNXBLNP-SMDDNHRTSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571201431 953017580 /nfs/dbraw/zinc/01/75/80/953017580.db2.gz PWKCCRDPNXBLNP-SMDDNHRTSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C)n1cccc1 ZINC001571201531 953018692 /nfs/dbraw/zinc/01/86/92/953018692.db2.gz RAMPADVQLFTRPG-TYNCELHUSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C)n1cccc1 ZINC001571201531 953018696 /nfs/dbraw/zinc/01/86/96/953018696.db2.gz RAMPADVQLFTRPG-TYNCELHUSA-N -1 3 382.428 0.834 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1C ZINC001571202090 953022666 /nfs/dbraw/zinc/02/26/66/953022666.db2.gz QVFWPICBRVQAOR-LBPRGKRZSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1C ZINC001571202090 953022671 /nfs/dbraw/zinc/02/26/71/953022671.db2.gz QVFWPICBRVQAOR-LBPRGKRZSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cccn1C ZINC001571202447 953025361 /nfs/dbraw/zinc/02/53/61/953025361.db2.gz XGDGGAFINCZASC-NWDGAFQWSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cccn1C ZINC001571202447 953025365 /nfs/dbraw/zinc/02/53/65/953025365.db2.gz XGDGGAFINCZASC-NWDGAFQWSA-N -1 3 382.428 0.956 20 0 GCADHM CS(=O)(=O)CC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571202476 953025711 /nfs/dbraw/zinc/02/57/11/953025711.db2.gz YJKCRIOIWVDEKK-JTQLQIEISA-N -1 3 382.421 0.453 20 0 GCADHM CS(=O)(=O)CC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571202476 953025715 /nfs/dbraw/zinc/02/57/15/953025715.db2.gz YJKCRIOIWVDEKK-JTQLQIEISA-N -1 3 382.421 0.453 20 0 GCADHM CCc1nc(NCC2CCN(C(=O)c3cc[nH]n3)CC2)cc(-c2nnn[n-]2)n1 ZINC001571204561 953030169 /nfs/dbraw/zinc/03/01/69/953030169.db2.gz BDTCPIDMLDIUEQ-UHFFFAOYSA-N -1 3 382.432 0.907 20 0 GCADHM CCN(C(=O)c1nnn(C)c1C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571204559 953030685 /nfs/dbraw/zinc/03/06/85/953030685.db2.gz BCMQMNDXQJDIOL-CYBMUJFWSA-N -1 3 382.432 0.440 20 0 GCADHM CCN(C(=O)c1nnn(C)c1C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571204559 953030691 /nfs/dbraw/zinc/03/06/91/953030691.db2.gz BCMQMNDXQJDIOL-CYBMUJFWSA-N -1 3 382.432 0.440 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571204716 953032608 /nfs/dbraw/zinc/03/26/08/953032608.db2.gz CSONJALVUJCOPA-WLHTULFXSA-N -1 3 382.428 0.001 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571204716 953032615 /nfs/dbraw/zinc/03/26/15/953032615.db2.gz CSONJALVUJCOPA-WLHTULFXSA-N -1 3 382.428 0.001 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571204854 953032848 /nfs/dbraw/zinc/03/28/48/953032848.db2.gz CXQYOUGTXMCIPT-SMDDNHRTSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571204854 953032850 /nfs/dbraw/zinc/03/28/50/953032850.db2.gz CXQYOUGTXMCIPT-SMDDNHRTSA-N -1 3 382.432 0.282 20 0 GCADHM CCc1cc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nnn[n-]3)n2)[nH]n1 ZINC001571204900 953033853 /nfs/dbraw/zinc/03/38/53/953033853.db2.gz FLCNYBMZEHNQLX-LBPRGKRZSA-N -1 3 382.432 0.967 20 0 GCADHM CCc1cc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571204900 953033856 /nfs/dbraw/zinc/03/38/56/953033856.db2.gz FLCNYBMZEHNQLX-LBPRGKRZSA-N -1 3 382.432 0.967 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571205157 953035688 /nfs/dbraw/zinc/03/56/88/953035688.db2.gz GRRZCAIALQYTFR-WCQYABFASA-N -1 3 382.432 0.836 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571205157 953035691 /nfs/dbraw/zinc/03/56/91/953035691.db2.gz GRRZCAIALQYTFR-WCQYABFASA-N -1 3 382.432 0.836 20 0 GCADHM CCCc1cc(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nn3)[C@@H](C)C2)[nH]n1 ZINC001571205135 953036541 /nfs/dbraw/zinc/03/65/41/953036541.db2.gz FZQNMQMJRZKSON-HZMBPMFUSA-N -1 3 382.432 0.905 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2N)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571205212 953037280 /nfs/dbraw/zinc/03/72/80/953037280.db2.gz HOUKMGHWSLKKGB-PWSUYJOCSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)c2cnn(C)c2N)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571205212 953037281 /nfs/dbraw/zinc/03/72/81/953037281.db2.gz HOUKMGHWSLKKGB-PWSUYJOCSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571205460 953039481 /nfs/dbraw/zinc/03/94/81/953039481.db2.gz JKLMTEQMEIFRGE-RYUDHWBXSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571205460 953039483 /nfs/dbraw/zinc/03/94/83/953039483.db2.gz JKLMTEQMEIFRGE-RYUDHWBXSA-N -1 3 382.432 0.662 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2cc[nH]n2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571205462 953039502 /nfs/dbraw/zinc/03/95/02/953039502.db2.gz JLQSLVSRKHIQPS-AAEUAGOBSA-N -1 3 382.432 0.662 20 0 GCADHM Cn1nccc1CN1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571205782 953042378 /nfs/dbraw/zinc/04/23/78/953042378.db2.gz LZNCIVNMQZWYHC-UHFFFAOYSA-N -1 3 382.428 0.323 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](CCNc3ccc(-c4nnn[n-]4)nc3)C2)nnn1C ZINC001571205830 953042946 /nfs/dbraw/zinc/04/29/46/953042946.db2.gz BQOCXQUNEUWDBQ-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nc3)C2)nnn1C ZINC001571205830 953042949 /nfs/dbraw/zinc/04/29/49/953042949.db2.gz BQOCXQUNEUWDBQ-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1c(C(=O)N[C@H]2CC[C@H](CNc3ncccc3-c3nnn[n-]3)C2)nnn1C ZINC001571205867 953043377 /nfs/dbraw/zinc/04/33/77/953043377.db2.gz CLZORAUSDVRDOG-RYUDHWBXSA-N -1 3 382.432 0.709 20 0 GCADHM Cc1c(C(=O)N[C@H]2CC[C@H](CNc3ncccc3-c3nn[n-]n3)C2)nnn1C ZINC001571205867 953043383 /nfs/dbraw/zinc/04/33/83/953043383.db2.gz CLZORAUSDVRDOG-RYUDHWBXSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@]1(CNc2ncccc2-c2nnn[n-]2)CCN(C(=O)CCn2cncn2)C1 ZINC001571205962 953044467 /nfs/dbraw/zinc/04/44/67/953044467.db2.gz PAILBVBAUUZRQV-QGZVFWFLSA-N -1 3 382.432 0.594 20 0 GCADHM C[C@]1(CNc2ncccc2-c2nn[n-]n2)CCN(C(=O)CCn2cncn2)C1 ZINC001571205962 953044469 /nfs/dbraw/zinc/04/44/69/953044469.db2.gz PAILBVBAUUZRQV-QGZVFWFLSA-N -1 3 382.432 0.594 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571205960 953044659 /nfs/dbraw/zinc/04/46/59/953044659.db2.gz OZYRRJBJRKWEIM-NSHDSACASA-N -1 3 382.432 0.907 20 0 GCADHM Cc1c(C(=O)N2CCC[C@H](N(C)c3ncccc3-c3nnn[n-]3)C2)nnn1C ZINC001571206335 953049837 /nfs/dbraw/zinc/04/98/37/953049837.db2.gz FPPKOQNCZVDEMM-LBPRGKRZSA-N -1 3 382.432 0.440 20 0 GCADHM Cc1c(C(=O)N2CCC[C@H](N(C)c3ncccc3-c3nn[n-]n3)C2)nnn1C ZINC001571206335 953049842 /nfs/dbraw/zinc/04/98/42/953049842.db2.gz FPPKOQNCZVDEMM-LBPRGKRZSA-N -1 3 382.432 0.440 20 0 GCADHM Cn1cccc1C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571206355 953050411 /nfs/dbraw/zinc/05/04/11/953050411.db2.gz OQKZXFFIODPEBL-UHFFFAOYSA-N -1 3 382.428 0.679 20 0 GCADHM Cn1cccc1C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571206355 953050413 /nfs/dbraw/zinc/05/04/13/953050413.db2.gz OQKZXFFIODPEBL-UHFFFAOYSA-N -1 3 382.428 0.679 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001571206539 953051968 /nfs/dbraw/zinc/05/19/68/953051968.db2.gz QTADERILSSGJGS-GXTWGEPZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001571206539 953051974 /nfs/dbraw/zinc/05/19/74/953051974.db2.gz QTADERILSSGJGS-GXTWGEPZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H]1CN(C(=O)CCc2nccn2C)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571206759 953054702 /nfs/dbraw/zinc/05/47/02/953054702.db2.gz XDYOFQCGVAKAKE-NWDGAFQWSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@H]1CN(C(=O)CCc2nccn2C)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571206759 953054705 /nfs/dbraw/zinc/05/47/05/953054705.db2.gz XDYOFQCGVAKAKE-NWDGAFQWSA-N -1 3 382.432 0.282 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@H](Nc3nccnc3-c3nnn[n-]3)[C@H]2C)n1 ZINC001571206735 953055067 /nfs/dbraw/zinc/05/50/67/953055067.db2.gz JUSQYYYEGXYHAE-YPMHNXCESA-N -1 3 382.432 0.517 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)[C@H]2C)n1 ZINC001571206735 953055070 /nfs/dbraw/zinc/05/50/70/953055070.db2.gz JUSQYYYEGXYHAE-YPMHNXCESA-N -1 3 382.432 0.517 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)[C@@H]2C)n1 ZINC001571206733 953055124 /nfs/dbraw/zinc/05/51/24/953055124.db2.gz JUSQYYYEGXYHAE-WCQYABFASA-N -1 3 382.432 0.517 20 0 GCADHM CCn1ccc(CC(=O)N2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)[C@@H]2C)n1 ZINC001571206733 953055127 /nfs/dbraw/zinc/05/51/27/953055127.db2.gz JUSQYYYEGXYHAE-WCQYABFASA-N -1 3 382.432 0.517 20 0 GCADHM CCn1ccc(C(=O)N2CCC(Nc3nc(C)cc(-c4nnn[n-]4)n3)CC2)n1 ZINC001571206736 953055193 /nfs/dbraw/zinc/05/51/93/953055193.db2.gz JVEPOUUVTXYBHN-UHFFFAOYSA-N -1 3 382.432 0.898 20 0 GCADHM CCn1ccc(C(=O)N2CCC(Nc3nc(C)cc(-c4nn[n-]n4)n3)CC2)n1 ZINC001571206736 953055196 /nfs/dbraw/zinc/05/51/96/953055196.db2.gz JVEPOUUVTXYBHN-UHFFFAOYSA-N -1 3 382.432 0.898 20 0 GCADHM CC1(C)CN(C(=O)CCc2c[nH]cn2)C[C@@H]1Nc1ccnc(-c2nnn[n-]2)n1 ZINC001571206713 953055305 /nfs/dbraw/zinc/05/53/05/953055305.db2.gz WRIPECSGAWODLN-LBPRGKRZSA-N -1 3 382.432 0.083 20 0 GCADHM CC1(C)CN(C(=O)CCc2c[nH]cn2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001571206713 953055308 /nfs/dbraw/zinc/05/53/08/953055308.db2.gz WRIPECSGAWODLN-LBPRGKRZSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2ccnn2C)CC1 ZINC001571206779 953055592 /nfs/dbraw/zinc/05/55/92/953055592.db2.gz XFASBTDGYCFJQI-LLVKDONJSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)c2ccnn2C)CC1 ZINC001571206779 953055596 /nfs/dbraw/zinc/05/55/96/953055596.db2.gz XFASBTDGYCFJQI-LLVKDONJSA-N -1 3 382.432 0.743 20 0 GCADHM Cn1cccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571206905 953057575 /nfs/dbraw/zinc/05/75/75/953057575.db2.gz SQRNZJCYSVHXGB-WCQYABFASA-N -1 3 382.428 0.862 20 0 GCADHM Cn1cccc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571206905 953057578 /nfs/dbraw/zinc/05/75/78/953057578.db2.gz SQRNZJCYSVHXGB-WCQYABFASA-N -1 3 382.428 0.862 20 0 GCADHM C[C@@H](C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001571206964 953058196 /nfs/dbraw/zinc/05/81/96/953058196.db2.gz VFDPQVIJUKPMBF-LBPRGKRZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001571206964 953058204 /nfs/dbraw/zinc/05/82/04/953058204.db2.gz VFDPQVIJUKPMBF-LBPRGKRZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571207018 953058392 /nfs/dbraw/zinc/05/83/92/953058392.db2.gz ZTHORPFIKMADSK-STQMWFEESA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571207018 953058394 /nfs/dbraw/zinc/05/83/94/953058394.db2.gz ZTHORPFIKMADSK-STQMWFEESA-N -1 3 382.432 0.592 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1cn(C)nn1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571207163 953059888 /nfs/dbraw/zinc/05/98/88/953059888.db2.gz OBQVWDFZYGQREQ-CYBMUJFWSA-N -1 3 382.432 0.521 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1cn(C)nn1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571207163 953059892 /nfs/dbraw/zinc/05/98/92/953059892.db2.gz OBQVWDFZYGQREQ-CYBMUJFWSA-N -1 3 382.432 0.521 20 0 GCADHM CCn1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)n1 ZINC001571207309 953061855 /nfs/dbraw/zinc/06/18/55/953061855.db2.gz QIIUKHPVGRQBPQ-GFCCVEGCSA-N -1 3 382.432 0.499 20 0 GCADHM CCn1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)n1 ZINC001571207309 953061857 /nfs/dbraw/zinc/06/18/57/953061857.db2.gz QIIUKHPVGRQBPQ-GFCCVEGCSA-N -1 3 382.432 0.499 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571207472 953063464 /nfs/dbraw/zinc/06/34/64/953063464.db2.gz SIKVUJGXCUIGQX-GFCCVEGCSA-N -1 3 382.432 0.297 20 0 GCADHM CCn1nc(C)c(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)n1 ZINC001571207464 953063650 /nfs/dbraw/zinc/06/36/50/953063650.db2.gz SCHFSFWATMWGDU-MFKMUULPSA-N -1 3 382.432 0.897 20 0 GCADHM CCn1nc(C)c(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)n1 ZINC001571207464 953063654 /nfs/dbraw/zinc/06/36/54/953063654.db2.gz SCHFSFWATMWGDU-MFKMUULPSA-N -1 3 382.432 0.897 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]2C)n1 ZINC001571207553 953064301 /nfs/dbraw/zinc/06/43/01/953064301.db2.gz WHYVUUBCNDGGGY-WCQYABFASA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@H]2C)n1 ZINC001571207552 953064802 /nfs/dbraw/zinc/06/48/02/953064802.db2.gz WHYVUUBCNDGGGY-DGCLKSJQSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C)n1 ZINC001571207648 953064995 /nfs/dbraw/zinc/06/49/95/953064995.db2.gz ZABLDWSWIFUSGB-YGRLFVJLSA-N -1 3 382.432 0.200 20 0 GCADHM CN(C[C@H]1CCN(C(=O)CCn2ccnn2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571207657 953065314 /nfs/dbraw/zinc/06/53/14/953065314.db2.gz ZEKMDOPWYDTMPX-CYBMUJFWSA-N -1 3 382.432 0.228 20 0 GCADHM CN(C[C@H]1CCN(C(=O)CCn2ccnn2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571207657 953065321 /nfs/dbraw/zinc/06/53/21/953065321.db2.gz ZEKMDOPWYDTMPX-CYBMUJFWSA-N -1 3 382.432 0.228 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2C)n1 ZINC001571207646 953065539 /nfs/dbraw/zinc/06/55/39/953065539.db2.gz ZABLDWSWIFUSGB-IINYFYTJSA-N -1 3 382.432 0.200 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571209657 953066019 /nfs/dbraw/zinc/06/60/19/953066019.db2.gz ALOWSQRKRBSMKV-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571209657 953066024 /nfs/dbraw/zinc/06/60/24/953066024.db2.gz ALOWSQRKRBSMKV-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM O=C(CCc1c[nH]cn1)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571209687 953066057 /nfs/dbraw/zinc/06/60/57/953066057.db2.gz AYEZQYKVCXHHCN-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM O=C(CCc1c[nH]cn1)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571209687 953066060 /nfs/dbraw/zinc/06/60/60/953066060.db2.gz AYEZQYKVCXHHCN-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571209658 953066117 /nfs/dbraw/zinc/06/61/17/953066117.db2.gz ALOWSQRKRBSMKV-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571209658 953066120 /nfs/dbraw/zinc/06/61/20/953066120.db2.gz ALOWSQRKRBSMKV-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H](NCc2cn(CC3CC3)nn2)C1 ZINC001571209845 953068129 /nfs/dbraw/zinc/06/81/29/953068129.db2.gz GOYLGDFAQSLSNM-ZDUSSCGKSA-N -1 3 382.432 0.201 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H](NCc2cn(CC3CC3)nn2)C1 ZINC001571209845 953068134 /nfs/dbraw/zinc/06/81/34/953068134.db2.gz GOYLGDFAQSLSNM-ZDUSSCGKSA-N -1 3 382.432 0.201 20 0 GCADHM O=C(Cn1ccnc1)N1CCC[C@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571209921 953068720 /nfs/dbraw/zinc/06/87/20/953068720.db2.gz ISXPKPLMDYOIAT-CYBMUJFWSA-N -1 3 382.432 0.594 20 0 GCADHM Cn1ncc(C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)cn3)CC2)c1N ZINC001571211660 953079599 /nfs/dbraw/zinc/07/95/99/953079599.db2.gz FBGDMBZGRBRKMH-UHFFFAOYSA-N -1 3 382.432 0.542 20 0 GCADHM Cn1ncc(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)cn3)CC2)c1N ZINC001571211660 953079602 /nfs/dbraw/zinc/07/96/02/953079602.db2.gz FBGDMBZGRBRKMH-UHFFFAOYSA-N -1 3 382.432 0.542 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571211849 953081107 /nfs/dbraw/zinc/08/11/07/953081107.db2.gz HHJKDFHFXRYZMP-YPMHNXCESA-N -1 3 382.432 0.368 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571211849 953081110 /nfs/dbraw/zinc/08/11/10/953081110.db2.gz HHJKDFHFXRYZMP-YPMHNXCESA-N -1 3 382.432 0.368 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001571212191 953084558 /nfs/dbraw/zinc/08/45/58/953084558.db2.gz KUSKLPXDFWPAQS-AAEUAGOBSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001571212191 953084562 /nfs/dbraw/zinc/08/45/62/953084562.db2.gz KUSKLPXDFWPAQS-AAEUAGOBSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(CNC(=O)c3cn(C)nn3)CC2)n1 ZINC001571212197 953084933 /nfs/dbraw/zinc/08/49/33/953084933.db2.gz LAPALEIKGMLREJ-UHFFFAOYSA-N -1 3 382.432 0.345 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(CNC(=O)c3cn(C)nn3)CC2)n1 ZINC001571212197 953084935 /nfs/dbraw/zinc/08/49/35/953084935.db2.gz LAPALEIKGMLREJ-UHFFFAOYSA-N -1 3 382.432 0.345 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571212131 953085047 /nfs/dbraw/zinc/08/50/47/953085047.db2.gz JLIDFIGIYZWCOH-BXKDBHETSA-N -1 3 382.432 0.784 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001571212193 953085271 /nfs/dbraw/zinc/08/52/71/953085271.db2.gz KUSKLPXDFWPAQS-WCQYABFASA-N -1 3 382.432 0.335 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001571212193 953085275 /nfs/dbraw/zinc/08/52/75/953085275.db2.gz KUSKLPXDFWPAQS-WCQYABFASA-N -1 3 382.432 0.335 20 0 GCADHM Cn1cnc(C(=O)N2CCCC[C@@H]2CCNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571212325 953086686 /nfs/dbraw/zinc/08/66/86/953086686.db2.gz LPMVTEVUSXHFSX-CYBMUJFWSA-N -1 3 382.432 0.887 20 0 GCADHM Cn1cnc(C(=O)N2CCCC[C@@H]2CCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571212325 953086691 /nfs/dbraw/zinc/08/66/91/953086691.db2.gz LPMVTEVUSXHFSX-CYBMUJFWSA-N -1 3 382.432 0.887 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC2CCC(NC(=O)c3cnnn3C)CC2)n1 ZINC001571213157 953093555 /nfs/dbraw/zinc/09/35/55/953093555.db2.gz RMHBSXNXLRKYEZ-UHFFFAOYSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC2CCC(NC(=O)c3cnnn3C)CC2)n1 ZINC001571213157 953093559 /nfs/dbraw/zinc/09/35/59/953093559.db2.gz RMHBSXNXLRKYEZ-UHFFFAOYSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1nc(C)c(C(=O)N2CC[C@@H](CCNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571213427 953093964 /nfs/dbraw/zinc/09/39/64/953093964.db2.gz SPWZNRMJDOXUJF-GFCCVEGCSA-N -1 3 382.432 0.961 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)[C@@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)n1 ZINC001571213458 953094941 /nfs/dbraw/zinc/09/49/41/953094941.db2.gz UIKRXBMCBBIEDE-GFCCVEGCSA-N -1 3 382.432 0.358 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC[C@H]2CCN(C(=O)c3cnnn3C)C2)n1 ZINC001571213452 953095157 /nfs/dbraw/zinc/09/51/57/953095157.db2.gz UCHZZLFQSIQOCR-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC[C@H]2CCN(C(=O)c3cnnn3C)C2)n1 ZINC001571213452 953095162 /nfs/dbraw/zinc/09/51/62/953095162.db2.gz UCHZZLFQSIQOCR-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC[C@@H]2CCN(C(=O)c3cnnn3C)C2)n1 ZINC001571213451 953095343 /nfs/dbraw/zinc/09/53/43/953095343.db2.gz UCHZZLFQSIQOCR-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC[C@@H]2CCN(C(=O)c3cnnn3C)C2)n1 ZINC001571213451 953095349 /nfs/dbraw/zinc/09/53/49/953095349.db2.gz UCHZZLFQSIQOCR-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM CN(C)C(=O)[C@@H]1CCN(C(=O)c2cnc(C(F)(F)F)c(-c3nnn[n-]3)c2)C1 ZINC001571216922 953105226 /nfs/dbraw/zinc/10/52/26/953105226.db2.gz COCKNAOEPZKXRA-MRVPVSSYSA-N -1 3 383.334 0.831 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnccn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571216930 953105315 /nfs/dbraw/zinc/10/53/15/953105315.db2.gz CZUKBTSIOWAKFC-MFKMUULPSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnccn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571216930 953105319 /nfs/dbraw/zinc/10/53/19/953105319.db2.gz CZUKBTSIOWAKFC-MFKMUULPSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2ncccn2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571217081 953105400 /nfs/dbraw/zinc/10/54/00/953105400.db2.gz GEQOXAQBCZQBSX-CMPLNLGQSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2ncccn2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571217081 953105402 /nfs/dbraw/zinc/10/54/02/953105402.db2.gz GEQOXAQBCZQBSX-CMPLNLGQSA-N -1 3 383.391 0.978 20 0 GCADHM O=C(Cc1ccccc1F)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571217286 953107470 /nfs/dbraw/zinc/10/74/70/953107470.db2.gz HUJXJYNPOAUICP-JOCQHMNTSA-N -1 3 383.387 0.954 20 0 GCADHM O=C(Cc1ccccc1F)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571217286 953107475 /nfs/dbraw/zinc/10/74/75/953107475.db2.gz HUJXJYNPOAUICP-JOCQHMNTSA-N -1 3 383.387 0.954 20 0 GCADHM O=C(Cc1ccccc1F)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571217486 953108461 /nfs/dbraw/zinc/10/84/61/953108461.db2.gz MEQCYVRRQJTYPU-ZDUSSCGKSA-N -1 3 383.387 0.907 20 0 GCADHM O=C(Cc1ccccc1F)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571217486 953108464 /nfs/dbraw/zinc/10/84/64/953108464.db2.gz MEQCYVRRQJTYPU-ZDUSSCGKSA-N -1 3 383.387 0.907 20 0 GCADHM CCN(C(=O)c1ncccn1)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571217898 953111554 /nfs/dbraw/zinc/11/15/54/953111554.db2.gz RRFWFDVXVRZQRO-GFCCVEGCSA-N -1 3 383.391 0.932 20 0 GCADHM CCN(C(=O)c1ncccn1)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571217898 953111557 /nfs/dbraw/zinc/11/15/57/953111557.db2.gz RRFWFDVXVRZQRO-GFCCVEGCSA-N -1 3 383.391 0.932 20 0 GCADHM CCN(C(=O)c1ncccn1)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571217899 953111924 /nfs/dbraw/zinc/11/19/24/953111924.db2.gz RRFWFDVXVRZQRO-LBPRGKRZSA-N -1 3 383.391 0.932 20 0 GCADHM CCN(C(=O)c1ncccn1)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571217899 953111927 /nfs/dbraw/zinc/11/19/27/953111927.db2.gz RRFWFDVXVRZQRO-LBPRGKRZSA-N -1 3 383.391 0.932 20 0 GCADHM NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001571218456 953115089 /nfs/dbraw/zinc/11/50/89/953115089.db2.gz OPJXQRKNGVAEEU-UHFFFAOYSA-N -1 3 383.343 0.473 20 0 GCADHM NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001571218456 953115094 /nfs/dbraw/zinc/11/50/94/953115094.db2.gz OPJXQRKNGVAEEU-UHFFFAOYSA-N -1 3 383.343 0.473 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)nn1 ZINC001571218621 953117333 /nfs/dbraw/zinc/11/73/33/953117333.db2.gz CKTJSHKQGPWELV-NSHDSACASA-N -1 3 383.391 0.756 20 0 GCADHM Cc1ccc(C(=O)NC[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)nn1 ZINC001571218621 953117336 /nfs/dbraw/zinc/11/73/36/953117336.db2.gz CKTJSHKQGPWELV-NSHDSACASA-N -1 3 383.391 0.756 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ncc(-c3nnn[n-]3)cc1F)CC2)c1ccn[nH]1 ZINC001571218894 953120459 /nfs/dbraw/zinc/12/04/59/953120459.db2.gz GHSVFSCIZFCSKY-CYBMUJFWSA-N -1 3 383.391 0.913 20 0 GCADHM O=C(N[C@@H]1CC12CCN(c1ncc(-c3nn[n-]n3)cc1F)CC2)c1ccn[nH]1 ZINC001571218894 953120462 /nfs/dbraw/zinc/12/04/62/953120462.db2.gz GHSVFSCIZFCSKY-CYBMUJFWSA-N -1 3 383.391 0.913 20 0 GCADHM O=C([C@H]1CC1(F)F)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571218917 953120608 /nfs/dbraw/zinc/12/06/08/953120608.db2.gz SMHJSYPBGKASFN-NXEZZACHSA-N -1 3 383.334 0.695 20 0 GCADHM O=C([C@H]1CC1(F)F)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571218917 953120611 /nfs/dbraw/zinc/12/06/11/953120611.db2.gz SMHJSYPBGKASFN-NXEZZACHSA-N -1 3 383.334 0.695 20 0 GCADHM CC1(C)CN(C(=O)Cc2ccco2)C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571218915 953120751 /nfs/dbraw/zinc/12/07/51/953120751.db2.gz GURPHWVDXHJVTC-AWEZNQCLSA-N -1 3 383.412 0.997 20 0 GCADHM CC1(C)CN(C(=O)Cc2ccco2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571218915 953120754 /nfs/dbraw/zinc/12/07/54/953120754.db2.gz GURPHWVDXHJVTC-AWEZNQCLSA-N -1 3 383.412 0.997 20 0 GCADHM Nc1nccnc1C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001571219535 953125835 /nfs/dbraw/zinc/12/58/35/953125835.db2.gz PQYYTMKUFMYKDW-UHFFFAOYSA-N -1 3 383.391 0.336 20 0 GCADHM Nc1nccnc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001571219535 953125838 /nfs/dbraw/zinc/12/58/38/953125838.db2.gz PQYYTMKUFMYKDW-UHFFFAOYSA-N -1 3 383.391 0.336 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@@H]2[C@@H](CCN2c2cnc(F)cn2)C1 ZINC001571219909 953127497 /nfs/dbraw/zinc/12/74/97/953127497.db2.gz SRUUOYXZOHQQDF-GXFFZTMASA-N -1 3 383.391 0.865 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@@H]2[C@@H](CCN2c2cnc(F)cn2)C1 ZINC001571219909 953127499 /nfs/dbraw/zinc/12/74/99/953127499.db2.gz SRUUOYXZOHQQDF-GXFFZTMASA-N -1 3 383.391 0.865 20 0 GCADHM CO[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1NC(=O)c1nocc1C ZINC001571220266 953129171 /nfs/dbraw/zinc/12/91/71/953129171.db2.gz ZXSVRGJVLFPGLN-HUUCEWRRSA-N -1 3 383.412 0.792 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1C[C@@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001571220215 953129292 /nfs/dbraw/zinc/12/92/92/953129292.db2.gz ZDHTVKNSVMDXFT-CABCVRRESA-N -1 3 383.412 0.179 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222085 953130223 /nfs/dbraw/zinc/13/02/23/953130223.db2.gz BSRUEHPKXCZPLM-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222085 953130227 /nfs/dbraw/zinc/13/02/27/953130227.db2.gz BSRUEHPKXCZPLM-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)[C@@H](C)c3ccco3)[C@@H](O)C2)n1 ZINC001571222054 953131014 /nfs/dbraw/zinc/13/10/14/953131014.db2.gz AVKZIBBKOBQBKX-YUTCNCBUSA-N -1 3 383.412 0.633 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)[C@@H](C)c3ccco3)[C@@H](O)C2)n1 ZINC001571222054 953131016 /nfs/dbraw/zinc/13/10/16/953131016.db2.gz AVKZIBBKOBQBKX-YUTCNCBUSA-N -1 3 383.412 0.633 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cncn1C ZINC001571222184 953131169 /nfs/dbraw/zinc/13/11/69/953131169.db2.gz DRGBQSSBCSVZDS-GHMZBOCLSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cncn1C ZINC001571222184 953131171 /nfs/dbraw/zinc/13/11/71/953131171.db2.gz DRGBQSSBCSVZDS-GHMZBOCLSA-N -1 3 383.416 0.351 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571222264 953132257 /nfs/dbraw/zinc/13/22/57/953132257.db2.gz BSYOOZHAHHSOSX-NSHDSACASA-N -1 3 383.416 0.299 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571222264 953132264 /nfs/dbraw/zinc/13/22/64/953132264.db2.gz BSYOOZHAHHSOSX-NSHDSACASA-N -1 3 383.416 0.299 20 0 GCADHM Cc1[nH]nc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1C ZINC001571222230 953132531 /nfs/dbraw/zinc/13/25/31/953132531.db2.gz ASSDEDMCWKINPE-KLPPZKSPSA-N -1 3 383.416 0.473 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)[nH]n1 ZINC001571222343 953133211 /nfs/dbraw/zinc/13/32/11/953133211.db2.gz GNHNZIAOCIWUOR-NSHDSACASA-N -1 3 383.416 0.782 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)[nH]n1 ZINC001571222343 953133213 /nfs/dbraw/zinc/13/32/13/953133213.db2.gz GNHNZIAOCIWUOR-NSHDSACASA-N -1 3 383.416 0.782 20 0 GCADHM CCc1nnc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001571222295 953133362 /nfs/dbraw/zinc/13/33/62/953133362.db2.gz DJVBTYXGXJNENI-PHIMTYICSA-N -1 3 383.416 0.629 20 0 GCADHM CCc1nnc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001571222295 953133365 /nfs/dbraw/zinc/13/33/65/953133365.db2.gz DJVBTYXGXJNENI-PHIMTYICSA-N -1 3 383.416 0.629 20 0 GCADHM COc1cc(C)nc(N[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1 ZINC001571222336 953133527 /nfs/dbraw/zinc/13/35/27/953133527.db2.gz DSDPBHAXHIIETI-RNCFNFMXSA-N -1 3 383.416 0.874 20 0 GCADHM COc1cc(C)nc(N[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1 ZINC001571222336 953133530 /nfs/dbraw/zinc/13/35/30/953133530.db2.gz DSDPBHAXHIIETI-RNCFNFMXSA-N -1 3 383.416 0.874 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571222388 953134094 /nfs/dbraw/zinc/13/40/94/953134094.db2.gz HOJQNJYENBEHQY-QWRGUYRKSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571222388 953134097 /nfs/dbraw/zinc/13/40/97/953134097.db2.gz HOJQNJYENBEHQY-QWRGUYRKSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)Cn1ccnc1 ZINC001571222381 953134166 /nfs/dbraw/zinc/13/41/66/953134166.db2.gz HMQHPLLZNZDEIE-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)Cn1ccnc1 ZINC001571222381 953134168 /nfs/dbraw/zinc/13/41/68/953134168.db2.gz HMQHPLLZNZDEIE-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC(N(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001571222426 953134879 /nfs/dbraw/zinc/13/48/79/953134879.db2.gz FEFOCDLZAWYJAD-UHFFFAOYSA-N -1 3 383.416 0.740 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC(N(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001571222426 953134880 /nfs/dbraw/zinc/13/48/80/953134880.db2.gz FEFOCDLZAWYJAD-UHFFFAOYSA-N -1 3 383.416 0.740 20 0 GCADHM Cc1ccoc1CC(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571222523 953135697 /nfs/dbraw/zinc/13/56/97/953135697.db2.gz IHDAZCGZKIELMV-LLVKDONJSA-N -1 3 383.412 0.916 20 0 GCADHM Cc1ccoc1CC(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571222523 953135701 /nfs/dbraw/zinc/13/57/01/953135701.db2.gz IHDAZCGZKIELMV-LLVKDONJSA-N -1 3 383.412 0.916 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001571222581 953135911 /nfs/dbraw/zinc/13/59/11/953135911.db2.gz JRLYJWFRZCBQCD-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001571222581 953135913 /nfs/dbraw/zinc/13/59/13/953135913.db2.gz JRLYJWFRZCBQCD-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001571222509 953135960 /nfs/dbraw/zinc/13/59/60/953135960.db2.gz HBVBLWTUJIZBKG-CYBMUJFWSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001571222509 953135964 /nfs/dbraw/zinc/13/59/64/953135964.db2.gz HBVBLWTUJIZBKG-CYBMUJFWSA-N -1 3 383.416 0.446 20 0 GCADHM COc1nn(C)cc1C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571222652 953136468 /nfs/dbraw/zinc/13/64/68/953136468.db2.gz IGSWFYJBITXZMC-LLVKDONJSA-N -1 3 383.416 0.578 20 0 GCADHM COc1nn(C)cc1C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571222652 953136470 /nfs/dbraw/zinc/13/64/70/953136470.db2.gz IGSWFYJBITXZMC-LLVKDONJSA-N -1 3 383.416 0.578 20 0 GCADHM COc1c(C(=O)N2C[C@@H](C)[C@H](Nc3ncccc3-c3nnn[n-]3)C2)cnn1C ZINC001571222709 953137366 /nfs/dbraw/zinc/13/73/66/953137366.db2.gz JSGLYOFBJYZVAD-ZWNOBZJWSA-N -1 3 383.416 0.576 20 0 GCADHM COc1c(C(=O)N2C[C@@H](C)[C@H](Nc3ncccc3-c3nn[n-]n3)C2)cnn1C ZINC001571222709 953137370 /nfs/dbraw/zinc/13/73/70/953137370.db2.gz JSGLYOFBJYZVAD-ZWNOBZJWSA-N -1 3 383.416 0.576 20 0 GCADHM COc1c(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)cnn1C ZINC001571222743 953137409 /nfs/dbraw/zinc/13/74/09/953137409.db2.gz KUOHAWBYYHIFFJ-KLPPZKSPSA-N -1 3 383.416 0.624 20 0 GCADHM COc1c(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)cnn1C ZINC001571222743 953137411 /nfs/dbraw/zinc/13/74/11/953137411.db2.gz KUOHAWBYYHIFFJ-KLPPZKSPSA-N -1 3 383.416 0.624 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222739 953137632 /nfs/dbraw/zinc/13/76/32/953137632.db2.gz KTFDNTFXYBFTHQ-SECBINFHSA-N -1 3 383.416 0.371 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222739 953137635 /nfs/dbraw/zinc/13/76/35/953137635.db2.gz KTFDNTFXYBFTHQ-SECBINFHSA-N -1 3 383.416 0.371 20 0 GCADHM COc1nc(C)cc(N2CC[C@](C)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571222736 953137798 /nfs/dbraw/zinc/13/77/98/953137798.db2.gz KQABHEOTRBDSIR-KRWDZBQOSA-N -1 3 383.416 0.701 20 0 GCADHM COc1nc(C)cc(N2CC[C@](C)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571222736 953137799 /nfs/dbraw/zinc/13/77/99/953137799.db2.gz KQABHEOTRBDSIR-KRWDZBQOSA-N -1 3 383.416 0.701 20 0 GCADHM COc1c(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)nc3)C2)cnn1C ZINC001571222781 953138452 /nfs/dbraw/zinc/13/84/52/953138452.db2.gz LSOIMKONTJLFBA-QGZVFWFLSA-N -1 3 383.416 0.403 20 0 GCADHM COc1c(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)nc3)C2)cnn1C ZINC001571222781 953138459 /nfs/dbraw/zinc/13/84/59/953138459.db2.gz LSOIMKONTJLFBA-QGZVFWFLSA-N -1 3 383.416 0.403 20 0 GCADHM COc1ccnc(N(C)C[C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571222788 953138569 /nfs/dbraw/zinc/13/85/69/953138569.db2.gz MKDHMDCSUCXKKZ-GFCCVEGCSA-N -1 3 383.416 0.734 20 0 GCADHM COc1ccnc(N(C)C[C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571222788 953138570 /nfs/dbraw/zinc/13/85/70/953138570.db2.gz MKDHMDCSUCXKKZ-GFCCVEGCSA-N -1 3 383.416 0.734 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001571222778 953138579 /nfs/dbraw/zinc/13/85/79/953138579.db2.gz KZFDOFXMFBGQKO-TVQRCGJNSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001571222778 953138580 /nfs/dbraw/zinc/13/85/80/953138580.db2.gz KZFDOFXMFBGQKO-TVQRCGJNSA-N -1 3 383.416 0.513 20 0 GCADHM Cc1nc[nH]c1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222763 953138640 /nfs/dbraw/zinc/13/86/40/953138640.db2.gz LNZTVBQBZLSSTA-CMPLNLGQSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1nc[nH]c1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222763 953138643 /nfs/dbraw/zinc/13/86/43/953138643.db2.gz LNZTVBQBZLSSTA-CMPLNLGQSA-N -1 3 383.416 0.555 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)Cn2cccn2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222830 953139593 /nfs/dbraw/zinc/13/95/93/953139593.db2.gz LQROBMURGPVOIZ-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)Cn2cccn2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222830 953139595 /nfs/dbraw/zinc/13/95/95/953139595.db2.gz LQROBMURGPVOIZ-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001571222844 953139754 /nfs/dbraw/zinc/13/97/54/953139754.db2.gz LZURZDKMTYPCAV-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001571222844 953139758 /nfs/dbraw/zinc/13/97/58/953139758.db2.gz LZURZDKMTYPCAV-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571222851 953139928 /nfs/dbraw/zinc/13/99/28/953139928.db2.gz NBADTQMCRGTTCB-ONGXEEELSA-N -1 3 383.416 0.819 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571222851 953139930 /nfs/dbraw/zinc/13/99/30/953139930.db2.gz NBADTQMCRGTTCB-ONGXEEELSA-N -1 3 383.416 0.819 20 0 GCADHM COc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(C)nn1C ZINC001571222929 953140787 /nfs/dbraw/zinc/14/07/87/953140787.db2.gz NYBYTWQZAZEKAM-LBPRGKRZSA-N -1 3 383.416 0.639 20 0 GCADHM COc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c(C)nn1C ZINC001571222929 953140788 /nfs/dbraw/zinc/14/07/88/953140788.db2.gz NYBYTWQZAZEKAM-LBPRGKRZSA-N -1 3 383.416 0.639 20 0 GCADHM COCCn1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571223233 953142119 /nfs/dbraw/zinc/14/21/19/953142119.db2.gz QWUBDADQWBITBH-ZDUSSCGKSA-N -1 3 383.416 0.113 20 0 GCADHM COCCn1cc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571223233 953142125 /nfs/dbraw/zinc/14/21/25/953142125.db2.gz QWUBDADQWBITBH-ZDUSSCGKSA-N -1 3 383.416 0.113 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571223180 953142131 /nfs/dbraw/zinc/14/21/31/953142131.db2.gz PFKITUVJJSPMGS-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223180 953142134 /nfs/dbraw/zinc/14/21/34/953142134.db2.gz PFKITUVJJSPMGS-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571223316 953143070 /nfs/dbraw/zinc/14/30/70/953143070.db2.gz SVXYZGDWLDYWQN-MWLCHTKSSA-N -1 3 383.416 0.188 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571223316 953143072 /nfs/dbraw/zinc/14/30/72/953143072.db2.gz SVXYZGDWLDYWQN-MWLCHTKSSA-N -1 3 383.416 0.188 20 0 GCADHM COc1ccnc(N2CCC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001571223549 953144883 /nfs/dbraw/zinc/14/48/83/953144883.db2.gz VAJIHVLSSISSQG-UHFFFAOYSA-N -1 3 383.416 0.734 20 0 GCADHM COc1ccnc(N2CCC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001571223549 953144885 /nfs/dbraw/zinc/14/48/85/953144885.db2.gz VAJIHVLSSISSQG-UHFFFAOYSA-N -1 3 383.416 0.734 20 0 GCADHM COCc1nc(C)cc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571223550 953145418 /nfs/dbraw/zinc/14/54/18/953145418.db2.gz VAOYZTRXLUOWIJ-GFCCVEGCSA-N -1 3 383.416 0.448 20 0 GCADHM COCc1nc(C)cc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571223550 953145420 /nfs/dbraw/zinc/14/54/20/953145420.db2.gz VAOYZTRXLUOWIJ-GFCCVEGCSA-N -1 3 383.416 0.448 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571223575 953145476 /nfs/dbraw/zinc/14/54/76/953145476.db2.gz VUARZXPGHQVMGC-QGZVFWFLSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571223575 953145478 /nfs/dbraw/zinc/14/54/78/953145478.db2.gz VUARZXPGHQVMGC-QGZVFWFLSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571223598 953145969 /nfs/dbraw/zinc/14/59/69/953145969.db2.gz WTVZTFUWJKZNOC-ONGXEEELSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571223598 953145973 /nfs/dbraw/zinc/14/59/73/953145973.db2.gz WTVZTFUWJKZNOC-ONGXEEELSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571223597 953146565 /nfs/dbraw/zinc/14/65/65/953146565.db2.gz WTVZTFUWJKZNOC-MWLCHTKSSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571223597 953146566 /nfs/dbraw/zinc/14/65/66/953146566.db2.gz WTVZTFUWJKZNOC-MWLCHTKSSA-N -1 3 383.416 0.649 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001571223770 953146944 /nfs/dbraw/zinc/14/69/44/953146944.db2.gz UXEJRPVASWVBCZ-WZRBSPASSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001571223770 953146946 /nfs/dbraw/zinc/14/69/46/953146946.db2.gz UXEJRPVASWVBCZ-WZRBSPASSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001571223808 953147003 /nfs/dbraw/zinc/14/70/03/953147003.db2.gz VSPDGEWJSSTIRE-RISCZKNCSA-N -1 3 383.416 0.255 20 0 GCADHM CCn1nccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223875 953147603 /nfs/dbraw/zinc/14/76/03/953147603.db2.gz YWUTXDXJAQKGCH-ZWNOBZJWSA-N -1 3 383.416 0.302 20 0 GCADHM CCn1nccc1C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223875 953147606 /nfs/dbraw/zinc/14/76/06/953147606.db2.gz YWUTXDXJAQKGCH-ZWNOBZJWSA-N -1 3 383.416 0.302 20 0 GCADHM CN(C)c1cc(C(=O)N2CCC(c3nnc(N)o3)CC2)cc(-c2nnn[n-]2)c1 ZINC001571223911 953147876 /nfs/dbraw/zinc/14/78/76/953147876.db2.gz ZXCGRUOIEAEPLK-UHFFFAOYSA-N -1 3 383.416 0.918 20 0 GCADHM CN(C)c1cc(C(=O)N2CCC(c3nnc(N)o3)CC2)cc(-c2nn[n-]n2)c1 ZINC001571223911 953147879 /nfs/dbraw/zinc/14/78/79/953147879.db2.gz ZXCGRUOIEAEPLK-UHFFFAOYSA-N -1 3 383.416 0.918 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001571224105 953148796 /nfs/dbraw/zinc/14/87/96/953148796.db2.gz YJNRWDIONUAWRX-GHMZBOCLSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001571224105 953148798 /nfs/dbraw/zinc/14/87/98/953148798.db2.gz YJNRWDIONUAWRX-GHMZBOCLSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001571223979 953148846 /nfs/dbraw/zinc/14/88/46/953148846.db2.gz WNFVNNYNGOGCOL-WDEREUQCSA-N -1 3 383.416 0.806 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001571223979 953148847 /nfs/dbraw/zinc/14/88/47/953148847.db2.gz WNFVNNYNGOGCOL-WDEREUQCSA-N -1 3 383.416 0.806 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1NC(=O)Cn1cccn1 ZINC001571223981 953148855 /nfs/dbraw/zinc/14/88/55/953148855.db2.gz WQIVMSJBMQKZAO-CYBMUJFWSA-N -1 3 383.416 0.058 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1NC(=O)Cn1cccn1 ZINC001571223981 953148857 /nfs/dbraw/zinc/14/88/57/953148857.db2.gz WQIVMSJBMQKZAO-CYBMUJFWSA-N -1 3 383.416 0.058 20 0 GCADHM Cc1ccc(N[C@@H](C)[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)nn1 ZINC001571224675 953150431 /nfs/dbraw/zinc/15/04/31/953150431.db2.gz CPEUWVYZLHBQOD-FZMZJTMJSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1ccc(N[C@@H](C)[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)nn1 ZINC001571224675 953150436 /nfs/dbraw/zinc/15/04/36/953150436.db2.gz CPEUWVYZLHBQOD-FZMZJTMJSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1ccc(N[C@H](C)[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)nn1 ZINC001571224676 953150483 /nfs/dbraw/zinc/15/04/83/953150483.db2.gz CPEUWVYZLHBQOD-RISCZKNCSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1ccc(N[C@H](C)[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)nn1 ZINC001571224676 953150485 /nfs/dbraw/zinc/15/04/85/953150485.db2.gz CPEUWVYZLHBQOD-RISCZKNCSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1C ZINC001571224671 953150757 /nfs/dbraw/zinc/15/07/57/953150757.db2.gz COTOZJFTBONKSG-KLPPZKSPSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1C ZINC001571224671 953150759 /nfs/dbraw/zinc/15/07/59/953150759.db2.gz COTOZJFTBONKSG-KLPPZKSPSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)[C@H](C)C2)o1 ZINC001571224758 953151219 /nfs/dbraw/zinc/15/12/19/953151219.db2.gz FNVYWKTYHRTOLZ-ZWNOBZJWSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)[C@H](C)C2)o1 ZINC001571224758 953151221 /nfs/dbraw/zinc/15/12/21/953151221.db2.gz FNVYWKTYHRTOLZ-ZWNOBZJWSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571224759 953151268 /nfs/dbraw/zinc/15/12/68/953151268.db2.gz FNYSGGYAQOMHOS-CMPLNLGQSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CC[C@H](C)N(c3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571224759 953151269 /nfs/dbraw/zinc/15/12/69/953151269.db2.gz FNYSGGYAQOMHOS-CMPLNLGQSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)[C@H](C)C2)o1 ZINC001571224757 953151534 /nfs/dbraw/zinc/15/15/34/953151534.db2.gz FNVYWKTYHRTOLZ-MFKMUULPSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)[C@H](C)C2)o1 ZINC001571224757 953151535 /nfs/dbraw/zinc/15/15/35/953151535.db2.gz FNVYWKTYHRTOLZ-MFKMUULPSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n(C)n1 ZINC001571225585 953152792 /nfs/dbraw/zinc/15/27/92/953152792.db2.gz KQJZBYMWDZEBAO-PHIMTYICSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n(C)n1 ZINC001571225585 953152794 /nfs/dbraw/zinc/15/27/94/953152794.db2.gz KQJZBYMWDZEBAO-PHIMTYICSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571225240 953152798 /nfs/dbraw/zinc/15/27/98/953152798.db2.gz IUHVANBCMFJYKM-WDEREUQCSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571225240 953152801 /nfs/dbraw/zinc/15/28/01/953152801.db2.gz IUHVANBCMFJYKM-WDEREUQCSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1cc(C)n(CC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571225615 953153394 /nfs/dbraw/zinc/15/33/94/953153394.db2.gz LQHCYMUTDLJEHV-CYBMUJFWSA-N -1 3 383.416 0.039 20 0 GCADHM Cc1cc(C)n(CC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571225615 953153397 /nfs/dbraw/zinc/15/33/97/953153397.db2.gz LQHCYMUTDLJEHV-CYBMUJFWSA-N -1 3 383.416 0.039 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571225628 953153900 /nfs/dbraw/zinc/15/39/00/953153900.db2.gz LVSSXAGGWWXANA-AAEUAGOBSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571225628 953153906 /nfs/dbraw/zinc/15/39/06/953153906.db2.gz LVSSXAGGWWXANA-AAEUAGOBSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1cc(NC[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc(CO)n1 ZINC001571225921 953154691 /nfs/dbraw/zinc/15/46/91/953154691.db2.gz OKNCIHZBFJSXIF-LLVKDONJSA-N -1 3 383.416 0.360 20 0 GCADHM Cc1cc(NC[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc(CO)n1 ZINC001571225921 953154693 /nfs/dbraw/zinc/15/46/93/953154693.db2.gz OKNCIHZBFJSXIF-LLVKDONJSA-N -1 3 383.416 0.360 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571225949 953154773 /nfs/dbraw/zinc/15/47/73/953154773.db2.gz PBAGCOGBLMHURO-LBPRGKRZSA-N -1 3 383.416 0.521 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571225949 953154776 /nfs/dbraw/zinc/15/47/76/953154776.db2.gz PBAGCOGBLMHURO-LBPRGKRZSA-N -1 3 383.416 0.521 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)[C@H](C)C2)o1 ZINC001571226596 953155909 /nfs/dbraw/zinc/15/59/09/953155909.db2.gz SFKDFCRBJNQRPP-MFKMUULPSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)[C@H](C)C2)o1 ZINC001571226596 953155912 /nfs/dbraw/zinc/15/59/12/953155912.db2.gz SFKDFCRBJNQRPP-MFKMUULPSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)[C@@H](C)C2)o1 ZINC001571226595 953155956 /nfs/dbraw/zinc/15/59/56/953155956.db2.gz SFKDFCRBJNQRPP-GXFFZTMASA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)[C@@H](C)C2)o1 ZINC001571226595 953155958 /nfs/dbraw/zinc/15/59/58/953155958.db2.gz SFKDFCRBJNQRPP-GXFFZTMASA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nnn[n-]1 ZINC001571226472 953156009 /nfs/dbraw/zinc/15/60/09/953156009.db2.gz ROLFYHYRZXOEGN-KOLCDFICSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nn[n-]n1 ZINC001571226472 953156011 /nfs/dbraw/zinc/15/60/11/953156011.db2.gz ROLFYHYRZXOEGN-KOLCDFICSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001571226609 953156173 /nfs/dbraw/zinc/15/61/73/953156173.db2.gz SQCGOCPTWLNENT-JOYOIKCWSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001571226609 953156175 /nfs/dbraw/zinc/15/61/75/953156175.db2.gz SQCGOCPTWLNENT-JOYOIKCWSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1noc(CN2CCC3(C[C@@H]3NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001571226630 953156845 /nfs/dbraw/zinc/15/68/45/953156845.db2.gz UFEHJLJHYVJDLI-ZDUSSCGKSA-N -1 3 383.416 0.671 20 0 GCADHM Cc1noc(CN2CCC3(C[C@@H]3NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001571226630 953156846 /nfs/dbraw/zinc/15/68/46/953156846.db2.gz UFEHJLJHYVJDLI-ZDUSSCGKSA-N -1 3 383.416 0.671 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)c(C)n3)C2)o1 ZINC001571226978 953157853 /nfs/dbraw/zinc/15/78/53/953157853.db2.gz YECJCPKJYIJJMH-LBPRGKRZSA-N -1 3 383.416 0.765 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)c(C)n3)C2)o1 ZINC001571226978 953157854 /nfs/dbraw/zinc/15/78/54/953157854.db2.gz YECJCPKJYIJJMH-LBPRGKRZSA-N -1 3 383.416 0.765 20 0 GCADHM Cc1nc(C(=O)N2CCCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c[nH]1 ZINC001571227113 953158307 /nfs/dbraw/zinc/15/83/07/953158307.db2.gz YZEKBORXJPPVAY-LBPRGKRZSA-N -1 3 383.416 0.651 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001571227150 953158494 /nfs/dbraw/zinc/15/84/94/953158494.db2.gz ZUEASYWNYUOJJZ-JOYOIKCWSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001571227150 953158497 /nfs/dbraw/zinc/15/84/97/953158497.db2.gz ZUEASYWNYUOJJZ-JOYOIKCWSA-N -1 3 383.416 0.270 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571227709 953159091 /nfs/dbraw/zinc/15/90/91/953159091.db2.gz AIVZHWPDQSTARS-VXGBXAGGSA-N -1 3 383.416 0.399 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571227709 953159095 /nfs/dbraw/zinc/15/90/95/953159095.db2.gz AIVZHWPDQSTARS-VXGBXAGGSA-N -1 3 383.416 0.399 20 0 GCADHM O=C(Cc1ncc[nH]1)N1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571227811 953159728 /nfs/dbraw/zinc/15/97/28/953159728.db2.gz CMBREZFTSIWDHH-LLVKDONJSA-N -1 3 383.416 0.129 20 0 GCADHM O=C(Cc1ncc[nH]1)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571227811 953159731 /nfs/dbraw/zinc/15/97/31/953159731.db2.gz CMBREZFTSIWDHH-LLVKDONJSA-N -1 3 383.416 0.129 20 0 GCADHM Cn1c(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)c[nH]c1=O ZINC001571227961 953160760 /nfs/dbraw/zinc/16/07/60/953160760.db2.gz FIIQDZVLIWPXDX-JQWIXIFHSA-N -1 3 383.416 0.711 20 0 GCADHM Cn1c(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)c[nH]c1=O ZINC001571227961 953160762 /nfs/dbraw/zinc/16/07/62/953160762.db2.gz FIIQDZVLIWPXDX-JQWIXIFHSA-N -1 3 383.416 0.711 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCCN1C(=O)Cc1nnc[nH]1 ZINC001571228104 953161732 /nfs/dbraw/zinc/16/17/32/953161732.db2.gz INETUABDGLYNFZ-JQWIXIFHSA-N -1 3 383.420 0.199 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571228132 953162425 /nfs/dbraw/zinc/16/24/25/953162425.db2.gz IXYBWWRKLNDDSL-KOLCDFICSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571228132 953162427 /nfs/dbraw/zinc/16/24/27/953162427.db2.gz IXYBWWRKLNDDSL-KOLCDFICSA-N -1 3 383.420 0.082 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571228192 953163166 /nfs/dbraw/zinc/16/31/66/953163166.db2.gz KOBSAHKNGKHHLI-NSHDSACASA-N -1 3 383.416 0.211 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571228192 953163167 /nfs/dbraw/zinc/16/31/67/953163167.db2.gz KOBSAHKNGKHHLI-NSHDSACASA-N -1 3 383.416 0.211 20 0 GCADHM C[C@H](N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1nnnn1C1CC1 ZINC001571228511 953164239 /nfs/dbraw/zinc/16/42/39/953164239.db2.gz QFPBVYPIMNGTLK-GXSJLCMTSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@H](N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1nnnn1C1CC1 ZINC001571228511 953164240 /nfs/dbraw/zinc/16/42/40/953164240.db2.gz QFPBVYPIMNGTLK-GXSJLCMTSA-N -1 3 383.420 0.082 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCC[C@H]1CNCc1nc(C2CC2)no1 ZINC001571228519 953164244 /nfs/dbraw/zinc/16/42/44/953164244.db2.gz QHXRIEZWPRSZPY-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@H]1CNCc1nc(C2CC2)no1 ZINC001571228519 953164245 /nfs/dbraw/zinc/16/42/45/953164245.db2.gz QHXRIEZWPRSZPY-LBPRGKRZSA-N -1 3 383.416 0.850 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571228476 953164763 /nfs/dbraw/zinc/16/47/63/953164763.db2.gz PISUGQVTQUIFBV-QGZVFWFLSA-N -1 3 383.416 0.074 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571228476 953164767 /nfs/dbraw/zinc/16/47/67/953164767.db2.gz PISUGQVTQUIFBV-QGZVFWFLSA-N -1 3 383.416 0.074 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ncc[nH]1 ZINC001571228568 953165412 /nfs/dbraw/zinc/16/54/12/953165412.db2.gz SCHFFNIYTBODJX-GFCCVEGCSA-N -1 3 383.416 0.733 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ncc[nH]1 ZINC001571228568 953165413 /nfs/dbraw/zinc/16/54/13/953165413.db2.gz SCHFFNIYTBODJX-GFCCVEGCSA-N -1 3 383.416 0.733 20 0 GCADHM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001571228619 953165780 /nfs/dbraw/zinc/16/57/80/953165780.db2.gz UFUZUKDSLBODOZ-QWRGUYRKSA-N -1 3 383.420 0.057 20 0 GCADHM O=C(Cc1ncc[nH]1)N1CCC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571228623 953165913 /nfs/dbraw/zinc/16/59/13/953165913.db2.gz UGHQBZBUCUVXFL-UHFFFAOYSA-N -1 3 383.416 0.129 20 0 GCADHM O=C(Cc1ncc[nH]1)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571228623 953165914 /nfs/dbraw/zinc/16/59/14/953165914.db2.gz UGHQBZBUCUVXFL-UHFFFAOYSA-N -1 3 383.416 0.129 20 0 GCADHM CCc1nc(NC[C@H]2CN(C(=O)c3nc[nH]n3)C[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571228667 953165922 /nfs/dbraw/zinc/16/59/22/953165922.db2.gz VGBJNMXEGXYVJS-ZJUUUORDSA-N -1 3 383.420 0.157 20 0 GCADHM Cc1nonc1CN1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@]2(C)C1 ZINC001571228833 953167129 /nfs/dbraw/zinc/16/71/29/953167129.db2.gz WHZWGBQKPVZQQN-PXAZEXFGSA-N -1 3 383.416 0.480 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCCN2C(=O)c2nnn(C)n2)n1 ZINC001571229741 953171213 /nfs/dbraw/zinc/17/12/13/953171213.db2.gz LTGNIRCYCWFJAJ-LLVKDONJSA-N -1 3 383.420 0.200 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCCN2C(=O)c2nnn(C)n2)n1 ZINC001571229741 953171215 /nfs/dbraw/zinc/17/12/15/953171215.db2.gz LTGNIRCYCWFJAJ-LLVKDONJSA-N -1 3 383.420 0.200 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001571230026 953173800 /nfs/dbraw/zinc/17/38/00/953173800.db2.gz RACQWWMSLNFHCV-MNOVXSKESA-N -1 3 383.420 0.023 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)[C@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571230112 953173861 /nfs/dbraw/zinc/17/38/61/953173861.db2.gz RXBZLSUEOVEJOD-QWRGUYRKSA-N -1 3 383.420 0.056 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)[C@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571230112 953173863 /nfs/dbraw/zinc/17/38/63/953173863.db2.gz RXBZLSUEOVEJOD-QWRGUYRKSA-N -1 3 383.420 0.056 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571230113 953173991 /nfs/dbraw/zinc/17/39/91/953173991.db2.gz RXBZLSUEOVEJOD-WDEREUQCSA-N -1 3 383.420 0.056 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n1 ZINC001571230113 953173997 /nfs/dbraw/zinc/17/39/97/953173997.db2.gz RXBZLSUEOVEJOD-WDEREUQCSA-N -1 3 383.420 0.056 20 0 GCADHM O=C(N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1csc(-c2nnn[n-]2)c1 ZINC001571230946 953181776 /nfs/dbraw/zinc/18/17/76/953181776.db2.gz NVDMMNMODSXUGW-QMTHXVAHSA-N -1 3 383.455 0.394 20 0 GCADHM O=C(N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)c1csc(-c2nnn[n-]2)c1 ZINC001571230945 953182093 /nfs/dbraw/zinc/18/20/93/953182093.db2.gz NVDMMNMODSXUGW-IINYFYTJSA-N -1 3 383.455 0.394 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2)c1cnsn1 ZINC001571231496 953184656 /nfs/dbraw/zinc/18/46/56/953184656.db2.gz YQNBADSJZAXRTH-ZBEGNZNMSA-N -1 3 383.441 0.902 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2)c1cnsn1 ZINC001571231496 953184657 /nfs/dbraw/zinc/18/46/57/953184657.db2.gz YQNBADSJZAXRTH-ZBEGNZNMSA-N -1 3 383.441 0.902 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCN(Cc2nccn2C)C1 ZINC001571232733 953188927 /nfs/dbraw/zinc/18/89/27/953188927.db2.gz KBAWNLXVMHLQGZ-STQMWFEESA-N -1 3 383.460 0.959 20 0 GCADHM Cc1nc(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001571233345 953191287 /nfs/dbraw/zinc/19/12/87/953191287.db2.gz SHZXNVASYXMNAF-KNCOVGOOSA-N -1 3 383.456 0.794 20 0 GCADHM Cc1nc(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001571233345 953191291 /nfs/dbraw/zinc/19/12/91/953191291.db2.gz SHZXNVASYXMNAF-KNCOVGOOSA-N -1 3 383.456 0.794 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)[C@@H]1CCCC2(CC2)C1 ZINC001571233672 953194461 /nfs/dbraw/zinc/19/44/61/953194461.db2.gz ZWEVLBVTGXDFPZ-BPLDGKMQSA-N -1 3 383.456 0.898 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)[C@@H]1CCCC2(CC2)C1 ZINC001571233672 953194465 /nfs/dbraw/zinc/19/44/65/953194465.db2.gz ZWEVLBVTGXDFPZ-BPLDGKMQSA-N -1 3 383.456 0.898 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCN(Cc2nccn2C)CC1 ZINC001571233697 953195604 /nfs/dbraw/zinc/19/56/04/953195604.db2.gz AZCIWHMRKRRAJA-GFCCVEGCSA-N -1 3 383.460 0.959 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571234228 953199610 /nfs/dbraw/zinc/19/96/10/953199610.db2.gz QGPXJJWNJPQLPD-HZSPNIEDSA-N -1 3 383.460 0.036 20 0 GCADHM CN(c1cccc(F)c1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571234847 953205900 /nfs/dbraw/zinc/20/59/00/953205900.db2.gz KNVLEMOIAYEYCV-JTQLQIEISA-N -1 3 384.375 0.440 20 0 GCADHM CN(c1cccc(F)c1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571234847 953205904 /nfs/dbraw/zinc/20/59/04/953205904.db2.gz KNVLEMOIAYEYCV-JTQLQIEISA-N -1 3 384.375 0.440 20 0 GCADHM COc1cc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)ncn1 ZINC001571234808 953206338 /nfs/dbraw/zinc/20/63/38/953206338.db2.gz JKASCPOEKOXMEE-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM COc1cc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)ncn1 ZINC001571234808 953206341 /nfs/dbraw/zinc/20/63/41/953206341.db2.gz JKASCPOEKOXMEE-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM COc1ccc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)nn1 ZINC001571235037 953207593 /nfs/dbraw/zinc/20/75/93/953207593.db2.gz QTAOUEXOTKQODL-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM COc1ccc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)nn1 ZINC001571235037 953207595 /nfs/dbraw/zinc/20/75/95/953207595.db2.gz QTAOUEXOTKQODL-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM COc1cnc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)nc1 ZINC001571235055 953208796 /nfs/dbraw/zinc/20/87/96/953208796.db2.gz RCHLJHLKWSKOEJ-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM COc1cnc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)nc1 ZINC001571235055 953208798 /nfs/dbraw/zinc/20/87/98/953208798.db2.gz RCHLJHLKWSKOEJ-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM CCc1ncoc1C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235333 953211414 /nfs/dbraw/zinc/21/14/14/953211414.db2.gz ADINWCNMFFCOBN-UHFFFAOYSA-N -1 3 384.400 0.684 20 0 GCADHM CCc1ncoc1C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235333 953211416 /nfs/dbraw/zinc/21/14/16/953211416.db2.gz ADINWCNMFFCOBN-UHFFFAOYSA-N -1 3 384.400 0.684 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)c1cc[nH]c(=O)c1 ZINC001571235510 953212697 /nfs/dbraw/zinc/21/26/97/953212697.db2.gz GVKHXGLVAXSDNE-LBPRGKRZSA-N -1 3 384.375 0.900 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1cc[nH]c(=O)c1 ZINC001571235510 953212703 /nfs/dbraw/zinc/21/27/03/953212703.db2.gz GVKHXGLVAXSDNE-LBPRGKRZSA-N -1 3 384.375 0.900 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571235451 953213058 /nfs/dbraw/zinc/21/30/58/953213058.db2.gz FLBNEMUNOKIIMR-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571235451 953213060 /nfs/dbraw/zinc/21/30/60/953213060.db2.gz FLBNEMUNOKIIMR-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM O=C(c1cn[nH]n1)N1C[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001571235511 953213153 /nfs/dbraw/zinc/21/31/53/953213153.db2.gz GVYXKDUDEXDOGT-KOLCDFICSA-N -1 3 384.379 0.117 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1nocc1C ZINC001571235514 953213216 /nfs/dbraw/zinc/21/32/16/953213216.db2.gz GZTJISGNJCWJET-CHWSQXEVSA-N -1 3 384.400 0.500 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1nocc1C ZINC001571235514 953213218 /nfs/dbraw/zinc/21/32/18/953213218.db2.gz GZTJISGNJCWJET-CHWSQXEVSA-N -1 3 384.400 0.500 20 0 GCADHM O=C(Cc1ccc(F)cn1)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571235589 953213432 /nfs/dbraw/zinc/21/34/32/953213432.db2.gz JTFCMWPHKGQPOK-CYBMUJFWSA-N -1 3 384.375 0.302 20 0 GCADHM O=C(Cc1ccc(F)cn1)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571235589 953213436 /nfs/dbraw/zinc/21/34/36/953213436.db2.gz JTFCMWPHKGQPOK-CYBMUJFWSA-N -1 3 384.375 0.302 20 0 GCADHM CCc1nc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)o1 ZINC001571235553 953213607 /nfs/dbraw/zinc/21/36/07/953213607.db2.gz IEXSMIXMAUYEBT-SNVBAGLBSA-N -1 3 384.400 0.698 20 0 GCADHM CCc1nc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)o1 ZINC001571235553 953213610 /nfs/dbraw/zinc/21/36/10/953213610.db2.gz IEXSMIXMAUYEBT-SNVBAGLBSA-N -1 3 384.400 0.698 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1ocnc1C ZINC001571235581 953213643 /nfs/dbraw/zinc/21/36/43/953213643.db2.gz JNUFKICRRHKJJL-WCQYABFASA-N -1 3 384.400 0.914 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1ocnc1C ZINC001571235581 953213645 /nfs/dbraw/zinc/21/36/45/953213645.db2.gz JNUFKICRRHKJJL-WCQYABFASA-N -1 3 384.400 0.914 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235582 953213747 /nfs/dbraw/zinc/21/37/47/953213747.db2.gz JOSFMHSDSHUKFN-JTQLQIEISA-N -1 3 384.400 0.637 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235582 953213751 /nfs/dbraw/zinc/21/37/51/953213751.db2.gz JOSFMHSDSHUKFN-JTQLQIEISA-N -1 3 384.400 0.637 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cocn2)C1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571235688 953215128 /nfs/dbraw/zinc/21/51/28/953215128.db2.gz NIANDEBGODWUPK-NSHDSACASA-N -1 3 384.400 0.807 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)c2cocn2)C1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571235688 953215130 /nfs/dbraw/zinc/21/51/30/953215130.db2.gz NIANDEBGODWUPK-NSHDSACASA-N -1 3 384.400 0.807 20 0 GCADHM CCc1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001571236143 953215957 /nfs/dbraw/zinc/21/59/57/953215957.db2.gz RZFKACVNRUSIKG-SNVBAGLBSA-N -1 3 384.400 0.698 20 0 GCADHM CCc1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001571236143 953215959 /nfs/dbraw/zinc/21/59/59/953215959.db2.gz RZFKACVNRUSIKG-SNVBAGLBSA-N -1 3 384.400 0.698 20 0 GCADHM CCc1onc(C)c1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571236134 953216079 /nfs/dbraw/zinc/21/60/79/953216079.db2.gz RQWUCEMOIIGFKZ-SNVBAGLBSA-N -1 3 384.400 0.698 20 0 GCADHM CCc1onc(C)c1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571236134 953216084 /nfs/dbraw/zinc/21/60/84/953216084.db2.gz RQWUCEMOIIGFKZ-SNVBAGLBSA-N -1 3 384.400 0.698 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571236217 953216394 /nfs/dbraw/zinc/21/63/94/953216394.db2.gz VYXAZNAYJFBQNE-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571236217 953216397 /nfs/dbraw/zinc/21/63/97/953216397.db2.gz VYXAZNAYJFBQNE-OLZOCXBDSA-N -1 3 384.400 0.353 20 0 GCADHM O=C(Cc1ccon1)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1F ZINC001571236213 953216401 /nfs/dbraw/zinc/21/64/01/953216401.db2.gz VPXFRJCWFJXKKK-XBFCOCLRSA-N -1 3 384.375 0.857 20 0 GCADHM O=C(Cc1ccon1)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1F ZINC001571236213 953216403 /nfs/dbraw/zinc/21/64/03/953216403.db2.gz VPXFRJCWFJXKKK-XBFCOCLRSA-N -1 3 384.375 0.857 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1ncccc1F ZINC001571236195 953216565 /nfs/dbraw/zinc/21/65/65/953216565.db2.gz USAQIKSFEBLBHC-OCCSQVGLSA-N -1 3 384.375 0.165 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1ncccc1F ZINC001571236195 953216567 /nfs/dbraw/zinc/21/65/67/953216567.db2.gz USAQIKSFEBLBHC-OCCSQVGLSA-N -1 3 384.375 0.165 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571236171 953216605 /nfs/dbraw/zinc/21/66/05/953216605.db2.gz TUZOAKTZNXBOHQ-QWRGUYRKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571236171 953216608 /nfs/dbraw/zinc/21/66/08/953216608.db2.gz TUZOAKTZNXBOHQ-QWRGUYRKSA-N -1 3 384.400 0.854 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1ncccc1F ZINC001571236196 953216624 /nfs/dbraw/zinc/21/66/24/953216624.db2.gz USAQIKSFEBLBHC-TZMCWYRMSA-N -1 3 384.375 0.165 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1ncccc1F ZINC001571236196 953216628 /nfs/dbraw/zinc/21/66/28/953216628.db2.gz USAQIKSFEBLBHC-TZMCWYRMSA-N -1 3 384.375 0.165 20 0 GCADHM CNC(=O)NC[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)CCO1 ZINC001571236402 953217695 /nfs/dbraw/zinc/21/76/95/953217695.db2.gz YVIWRXMRKHSVOY-SNVBAGLBSA-N -1 3 384.400 0.118 20 0 GCADHM COCc1nocc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571236364 953217704 /nfs/dbraw/zinc/21/77/04/953217704.db2.gz XPLIWSJMOFUVQT-MFKMUULPSA-N -1 3 384.400 0.793 20 0 GCADHM COCc1nocc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571236364 953217705 /nfs/dbraw/zinc/21/77/05/953217705.db2.gz XPLIWSJMOFUVQT-MFKMUULPSA-N -1 3 384.400 0.793 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)c1ccccn1 ZINC001571236419 953217918 /nfs/dbraw/zinc/21/79/18/953217918.db2.gz ZLEGFVINARNURZ-GFCCVEGCSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC001571236419 953217919 /nfs/dbraw/zinc/21/79/19/953217919.db2.gz ZLEGFVINARNURZ-GFCCVEGCSA-N -1 3 384.375 0.431 20 0 GCADHM CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001571236408 953218340 /nfs/dbraw/zinc/21/83/40/953218340.db2.gz ZBEHWDJGIVGFAZ-UHFFFAOYSA-N -1 3 384.400 0.730 20 0 GCADHM CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001571236408 953218343 /nfs/dbraw/zinc/21/83/43/953218343.db2.gz ZBEHWDJGIVGFAZ-UHFFFAOYSA-N -1 3 384.400 0.730 20 0 GCADHM Cc1cnoc1C(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571237017 953219888 /nfs/dbraw/zinc/21/98/88/953219888.db2.gz FIIYENORPZVWES-FZMZJTMJSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1cnoc1C(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571237017 953219890 /nfs/dbraw/zinc/21/98/90/953219890.db2.gz FIIYENORPZVWES-FZMZJTMJSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ncoc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001571236975 953220003 /nfs/dbraw/zinc/22/00/03/953220003.db2.gz DJVHWUFXTIUFPT-QWHCGFSZSA-N -1 3 384.400 0.236 20 0 GCADHM Cc1ncoc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001571236975 953220004 /nfs/dbraw/zinc/22/00/04/953220004.db2.gz DJVHWUFXTIUFPT-QWHCGFSZSA-N -1 3 384.400 0.236 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571237269 953220623 /nfs/dbraw/zinc/22/06/23/953220623.db2.gz GRWWYCAPGCLHFA-QGZVFWFLSA-N -1 3 384.400 0.258 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571237269 953220624 /nfs/dbraw/zinc/22/06/24/953220624.db2.gz GRWWYCAPGCLHFA-QGZVFWFLSA-N -1 3 384.400 0.258 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)on1 ZINC001571237461 953221395 /nfs/dbraw/zinc/22/13/95/953221395.db2.gz HZPXWHBEKHZGEU-NSHDSACASA-N -1 3 384.400 0.905 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)on1 ZINC001571237461 953221396 /nfs/dbraw/zinc/22/13/96/953221396.db2.gz HZPXWHBEKHZGEU-NSHDSACASA-N -1 3 384.400 0.905 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571237506 953221882 /nfs/dbraw/zinc/22/18/82/953221882.db2.gz JGSJNLNMPBZPAO-GHMZBOCLSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571237506 953221886 /nfs/dbraw/zinc/22/18/86/953221886.db2.gz JGSJNLNMPBZPAO-GHMZBOCLSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(CN2CC3(C2)C[C@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)CO3)no1 ZINC001571237526 953222001 /nfs/dbraw/zinc/22/20/01/953222001.db2.gz JUDXZYSZWYXYFL-ZDUSSCGKSA-N -1 3 384.400 0.265 20 0 GCADHM Cc1cc(CN2CC3(C2)C[C@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)CO3)no1 ZINC001571237526 953222005 /nfs/dbraw/zinc/22/20/05/953222005.db2.gz JUDXZYSZWYXYFL-ZDUSSCGKSA-N -1 3 384.400 0.265 20 0 GCADHM O=C(CN1CCC(c2n[n-]c(=O)o2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC001571237516 953222023 /nfs/dbraw/zinc/22/20/23/953222023.db2.gz JMGOZJXOVKUPHP-UHFFFAOYSA-N -1 3 384.400 0.451 20 0 GCADHM Cc1noc(C)c1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571237672 953222087 /nfs/dbraw/zinc/22/20/87/953222087.db2.gz LDPFMKKXSVTKRN-AMIZOPFISA-N -1 3 384.400 0.690 20 0 GCADHM Cc1noc(C)c1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571237672 953222089 /nfs/dbraw/zinc/22/20/89/953222089.db2.gz LDPFMKKXSVTKRN-AMIZOPFISA-N -1 3 384.400 0.690 20 0 GCADHM Cc1nc(C)c(C(=O)NCC2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001571237663 953222261 /nfs/dbraw/zinc/22/22/61/953222261.db2.gz LBKPUHYRQQNGFI-UHFFFAOYSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1nc(C)c(C(=O)NCC2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001571237663 953222264 /nfs/dbraw/zinc/22/22/64/953222264.db2.gz LBKPUHYRQQNGFI-UHFFFAOYSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571237509 953222310 /nfs/dbraw/zinc/22/23/10/953222310.db2.gz JGSJNLNMPBZPAO-WDEREUQCSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571237509 953222312 /nfs/dbraw/zinc/22/23/12/953222312.db2.gz JGSJNLNMPBZPAO-WDEREUQCSA-N -1 3 384.400 0.820 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]2C)on1 ZINC001571237664 953222471 /nfs/dbraw/zinc/22/24/71/953222471.db2.gz LBNIVUNEJKVGHM-BXKDBHETSA-N -1 3 384.400 0.821 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]2C)on1 ZINC001571237664 953222472 /nfs/dbraw/zinc/22/24/72/953222472.db2.gz LBNIVUNEJKVGHM-BXKDBHETSA-N -1 3 384.400 0.821 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571237691 953223036 /nfs/dbraw/zinc/22/30/36/953223036.db2.gz LTRXUEQKHFVOLG-WDEREUQCSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571237691 953223039 /nfs/dbraw/zinc/22/30/39/953223039.db2.gz LTRXUEQKHFVOLG-WDEREUQCSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1conc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001571237959 953223704 /nfs/dbraw/zinc/22/37/04/953223704.db2.gz OZDSEMNSQPBPMR-CYBMUJFWSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1conc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001571237959 953223707 /nfs/dbraw/zinc/22/37/07/953223707.db2.gz OZDSEMNSQPBPMR-CYBMUJFWSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1ncc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)o1 ZINC001571237938 953224350 /nfs/dbraw/zinc/22/43/50/953224350.db2.gz OQPBLPUGAAXKPM-NOZJJQNGSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1ncc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)o1 ZINC001571237938 953224351 /nfs/dbraw/zinc/22/43/51/953224351.db2.gz OQPBLPUGAAXKPM-NOZJJQNGSA-N -1 3 384.400 0.453 20 0 GCADHM O=C(Cc1cnoc1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571238047 953224775 /nfs/dbraw/zinc/22/47/75/953224775.db2.gz SAMJJUWNUIAOEC-AWEZNQCLSA-N -1 3 384.400 0.522 20 0 GCADHM O=C(Cc1cnoc1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571238047 953224779 /nfs/dbraw/zinc/22/47/79/953224779.db2.gz SAMJJUWNUIAOEC-AWEZNQCLSA-N -1 3 384.400 0.522 20 0 GCADHM COc1nc(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nnn[n-]4)nc3)C2)co1 ZINC001571238042 953225047 /nfs/dbraw/zinc/22/50/47/953225047.db2.gz RUEJOTXKWWIXNX-LBPRGKRZSA-N -1 3 384.400 0.999 20 0 GCADHM COc1nc(C(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)co1 ZINC001571238042 953225053 /nfs/dbraw/zinc/22/50/53/953225053.db2.gz RUEJOTXKWWIXNX-LBPRGKRZSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238046 953225118 /nfs/dbraw/zinc/22/51/18/953225118.db2.gz SAAJLPPVDHWJNE-ZWNOBZJWSA-N -1 3 384.400 0.250 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238046 953225119 /nfs/dbraw/zinc/22/51/19/953225119.db2.gz SAAJLPPVDHWJNE-ZWNOBZJWSA-N -1 3 384.400 0.250 20 0 GCADHM Cc1ncc(CC(=O)N2CCO[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)o1 ZINC001571238071 953225121 /nfs/dbraw/zinc/22/51/21/953225121.db2.gz SVRDZNDPKSLDIW-ZDUSSCGKSA-N -1 3 384.400 0.440 20 0 GCADHM Cc1ncc(CC(=O)N2CCO[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)o1 ZINC001571238071 953225122 /nfs/dbraw/zinc/22/51/22/953225122.db2.gz SVRDZNDPKSLDIW-ZDUSSCGKSA-N -1 3 384.400 0.440 20 0 GCADHM Cc1cc(OCC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)no1 ZINC001571238029 953225130 /nfs/dbraw/zinc/22/51/30/953225130.db2.gz RNXYLHYCUCJPKP-LBPRGKRZSA-N -1 3 384.400 0.958 20 0 GCADHM Cc1cc(OCC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)no1 ZINC001571238029 953225131 /nfs/dbraw/zinc/22/51/31/953225131.db2.gz RNXYLHYCUCJPKP-LBPRGKRZSA-N -1 3 384.400 0.958 20 0 GCADHM Cc1nocc1C(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238024 953225142 /nfs/dbraw/zinc/22/51/42/953225142.db2.gz RLGMLOLLQDWBKR-WDEREUQCSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1nocc1C(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238024 953225143 /nfs/dbraw/zinc/22/51/43/953225143.db2.gz RLGMLOLLQDWBKR-WDEREUQCSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1ncc(CC(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001571238123 953225567 /nfs/dbraw/zinc/22/55/67/953225567.db2.gz UUKVOVGEIFEJQZ-GFCCVEGCSA-N -1 3 384.400 0.407 20 0 GCADHM Cc1ncc(CC(=O)N2CC[C@@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001571238123 953225568 /nfs/dbraw/zinc/22/55/68/953225568.db2.gz UUKVOVGEIFEJQZ-GFCCVEGCSA-N -1 3 384.400 0.407 20 0 GCADHM Cc1cnoc1C(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571238094 953225835 /nfs/dbraw/zinc/22/58/35/953225835.db2.gz TZBCUJQVHWANIF-UHFFFAOYSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1cnoc1C(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571238094 953225837 /nfs/dbraw/zinc/22/58/37/953225837.db2.gz TZBCUJQVHWANIF-UHFFFAOYSA-N -1 3 384.400 0.637 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571238160 953226213 /nfs/dbraw/zinc/22/62/13/953226213.db2.gz VQUGFGLQKRGXKZ-NXEZZACHSA-N -1 3 384.404 0.059 20 0 GCADHM O=C(Cc1ccon1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571238262 953226999 /nfs/dbraw/zinc/22/69/99/953226999.db2.gz YGANBTVZLGLZME-UHFFFAOYSA-N -1 3 384.400 0.258 20 0 GCADHM O=C(Cc1ccon1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571238262 953227002 /nfs/dbraw/zinc/22/70/02/953227002.db2.gz YGANBTVZLGLZME-UHFFFAOYSA-N -1 3 384.400 0.258 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C)o1 ZINC001571238247 953227165 /nfs/dbraw/zinc/22/71/65/953227165.db2.gz XZNIEHPANSKNIQ-PELKAZGASA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C)o1 ZINC001571238247 953227167 /nfs/dbraw/zinc/22/71/67/953227167.db2.gz XZNIEHPANSKNIQ-PELKAZGASA-N -1 3 384.400 0.833 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1C ZINC001571238294 953227181 /nfs/dbraw/zinc/22/71/81/953227181.db2.gz YUVYGHREONGKKD-QWRGUYRKSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C ZINC001571238294 953227183 /nfs/dbraw/zinc/22/71/83/953227183.db2.gz YUVYGHREONGKKD-QWRGUYRKSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1conc1C(=O)N(C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571238246 953227232 /nfs/dbraw/zinc/22/72/32/953227232.db2.gz XZLSSINNKCTSOK-UHFFFAOYSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1conc1C(=O)N(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571238246 953227235 /nfs/dbraw/zinc/22/72/35/953227235.db2.gz XZLSSINNKCTSOK-UHFFFAOYSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1cc(CC(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571238289 953227265 /nfs/dbraw/zinc/22/72/65/953227265.db2.gz YPGDVSDIGZNIFI-SNVBAGLBSA-N -1 3 384.400 0.311 20 0 GCADHM Cc1cc(CC(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571238289 953227271 /nfs/dbraw/zinc/22/72/71/953227271.db2.gz YPGDVSDIGZNIFI-SNVBAGLBSA-N -1 3 384.400 0.311 20 0 GCADHM Cc1nc(NCC2(O)CCN(C(=O)c3ccon3)CC2)ccc1-c1nnn[n-]1 ZINC001571238290 953227432 /nfs/dbraw/zinc/22/74/32/953227432.db2.gz YQSSKGGLGAQONC-UHFFFAOYSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1nc(NCC2(O)CCN(C(=O)c3ccon3)CC2)ccc1-c1nn[n-]n1 ZINC001571238290 953227435 /nfs/dbraw/zinc/22/74/35/953227435.db2.gz YQSSKGGLGAQONC-UHFFFAOYSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1conc1C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571238279 953227480 /nfs/dbraw/zinc/22/74/80/953227480.db2.gz YKIMFFVEYGHVFO-ZYHUDNBSSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1conc1C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571238279 953227482 /nfs/dbraw/zinc/22/74/82/953227482.db2.gz YKIMFFVEYGHVFO-ZYHUDNBSSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)no1 ZINC001571238322 953227896 /nfs/dbraw/zinc/22/78/96/953227896.db2.gz ZSCCEYUAPFNMEM-CMPLNLGQSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)no1 ZINC001571238322 953227899 /nfs/dbraw/zinc/22/78/99/953227899.db2.gz ZSCCEYUAPFNMEM-CMPLNLGQSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1ocnc1C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238318 953228082 /nfs/dbraw/zinc/22/80/82/953228082.db2.gz ZNYSITGTCMIMJE-NSHDSACASA-N -1 3 384.400 0.773 20 0 GCADHM Cc1ocnc1C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238318 953228084 /nfs/dbraw/zinc/22/80/84/953228084.db2.gz ZNYSITGTCMIMJE-NSHDSACASA-N -1 3 384.400 0.773 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1cn[nH]n1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571239104 953235970 /nfs/dbraw/zinc/23/59/70/953235970.db2.gz QIXLMHFQAOCYDQ-JTQLQIEISA-N -1 3 384.404 0.080 20 0 GCADHM C[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1NC(=O)c1cnn(C)c1 ZINC001571239679 953241958 /nfs/dbraw/zinc/24/19/58/953241958.db2.gz PQRZQTXHQUCMNT-BDJLRTHQSA-N -1 3 384.419 0.990 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)[nH]c1=O ZINC001571239848 953243381 /nfs/dbraw/zinc/24/33/81/953243381.db2.gz ZNHCZNJHENDACF-VHSXEESVSA-N -1 3 384.404 0.106 20 0 GCADHM C[C@@H](NC(=O)c1cnn(C)c1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571240094 953246236 /nfs/dbraw/zinc/24/62/36/953246236.db2.gz ZNCSDVLOYHWICF-LLVKDONJSA-N -1 3 384.419 0.990 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccsn1 ZINC001571241533 953247128 /nfs/dbraw/zinc/24/71/28/953247128.db2.gz CFWHQWWNDXUIQY-CDMKHQONSA-N -1 3 384.425 0.827 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccsn1 ZINC001571241533 953247131 /nfs/dbraw/zinc/24/71/31/953247131.db2.gz CFWHQWWNDXUIQY-CDMKHQONSA-N -1 3 384.425 0.827 20 0 GCADHM Cc1ccc(C(=O)N2Cc3cccc(-c4nnn[n-]4)c3C2)cc1S(N)(=O)=O ZINC001571241733 953248857 /nfs/dbraw/zinc/24/88/57/953248857.db2.gz KBMKHZKKNJWPDK-UHFFFAOYSA-N -1 3 384.421 0.979 20 0 GCADHM Cc1ccc(C(=O)N2Cc3cccc(-c4nn[n-]n4)c3C2)cc1S(N)(=O)=O ZINC001571241733 953248861 /nfs/dbraw/zinc/24/88/61/953248861.db2.gz KBMKHZKKNJWPDK-UHFFFAOYSA-N -1 3 384.421 0.979 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscn1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571241764 953249595 /nfs/dbraw/zinc/24/95/95/953249595.db2.gz KVGFEWPFXJWMCR-NRUUGDAUSA-N -1 3 384.425 0.827 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cscn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571241764 953249600 /nfs/dbraw/zinc/24/96/00/953249600.db2.gz KVGFEWPFXJWMCR-NRUUGDAUSA-N -1 3 384.425 0.827 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571241829 953250652 /nfs/dbraw/zinc/25/06/52/953250652.db2.gz MJXPOJKLCYGGFD-FZMZJTMJSA-N -1 3 384.444 0.246 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571241829 953250654 /nfs/dbraw/zinc/25/06/54/953250654.db2.gz MJXPOJKLCYGGFD-FZMZJTMJSA-N -1 3 384.444 0.246 20 0 GCADHM O=C(c1cncs1)N1[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571241958 953251544 /nfs/dbraw/zinc/25/15/44/953251544.db2.gz RADZGLLNJVAUEJ-PHIMTYICSA-N -1 3 384.425 0.781 20 0 GCADHM O=C(c1cncs1)N1[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571241958 953251547 /nfs/dbraw/zinc/25/15/47/953251547.db2.gz RADZGLLNJVAUEJ-PHIMTYICSA-N -1 3 384.425 0.781 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001571242030 953251968 /nfs/dbraw/zinc/25/19/68/953251968.db2.gz TUUIRVHFTUQLSY-BMIGLBTASA-N -1 3 384.444 0.307 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001571242030 953251972 /nfs/dbraw/zinc/25/19/72/953251972.db2.gz TUUIRVHFTUQLSY-BMIGLBTASA-N -1 3 384.444 0.307 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571242092 953252914 /nfs/dbraw/zinc/25/29/14/953252914.db2.gz BCMMYHOGIVJHGM-BNOWGMLFSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571242092 953252917 /nfs/dbraw/zinc/25/29/17/953252917.db2.gz BCMMYHOGIVJHGM-BNOWGMLFSA-N -1 3 384.444 0.531 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571242087 953253053 /nfs/dbraw/zinc/25/30/53/953253053.db2.gz AZELGHWKJBIIOC-KBPBESRZSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571242087 953253055 /nfs/dbraw/zinc/25/30/55/953253055.db2.gz AZELGHWKJBIIOC-KBPBESRZSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)CCN1c1ncccc1-c1nnn[n-]1 ZINC001571242117 953253326 /nfs/dbraw/zinc/25/33/26/953253326.db2.gz BKEGTXWSDANRLO-BZPMIXESSA-N -1 3 384.444 0.214 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)CCN1c1ncccc1-c1nn[n-]n1 ZINC001571242117 953253328 /nfs/dbraw/zinc/25/33/28/953253328.db2.gz BKEGTXWSDANRLO-BZPMIXESSA-N -1 3 384.444 0.214 20 0 GCADHM CN(C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571242137 953253640 /nfs/dbraw/zinc/25/36/40/953253640.db2.gz BVDGQPQBZVJYME-CHWSQXEVSA-N -1 3 384.444 0.025 20 0 GCADHM CN(C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571242137 953253642 /nfs/dbraw/zinc/25/36/42/953253642.db2.gz BVDGQPQBZVJYME-CHWSQXEVSA-N -1 3 384.444 0.025 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242244 953254572 /nfs/dbraw/zinc/25/45/72/953254572.db2.gz XOROMLUESGVAKX-OAHLLOKOSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242244 953254573 /nfs/dbraw/zinc/25/45/73/953254573.db2.gz XOROMLUESGVAKX-OAHLLOKOSA-N -1 3 384.444 0.533 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1CNC(=O)C1=CCOCC1 ZINC001571242264 953254877 /nfs/dbraw/zinc/25/48/77/953254877.db2.gz YBODVNZMBPRVGZ-INIZCTEOSA-N -1 3 384.440 0.913 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571242394 953256209 /nfs/dbraw/zinc/25/62/09/953256209.db2.gz FIWLIUHGIBWBAJ-LEWSCRJBSA-N -1 3 384.444 0.151 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571242394 953256213 /nfs/dbraw/zinc/25/62/13/953256213.db2.gz FIWLIUHGIBWBAJ-LEWSCRJBSA-N -1 3 384.444 0.151 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001571242505 953256703 /nfs/dbraw/zinc/25/67/03/953256703.db2.gz IAWCFVIVBWXLQZ-OLZOCXBDSA-N -1 3 384.444 0.215 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001571242505 953256706 /nfs/dbraw/zinc/25/67/06/953256706.db2.gz IAWCFVIVBWXLQZ-OLZOCXBDSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571242502 953257334 /nfs/dbraw/zinc/25/73/34/953257334.db2.gz IALWKTJHWSNSGS-DZGCQCFKSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571242502 953257341 /nfs/dbraw/zinc/25/73/41/953257341.db2.gz IALWKTJHWSNSGS-DZGCQCFKSA-N -1 3 384.444 0.533 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1)c1ncccc1-c1nnn[n-]1 ZINC001571242694 953258335 /nfs/dbraw/zinc/25/83/35/953258335.db2.gz LWQFNVWHKBNFMM-GXTWGEPZSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1)c1ncccc1-c1nn[n-]n1 ZINC001571242694 953258339 /nfs/dbraw/zinc/25/83/39/953258339.db2.gz LWQFNVWHKBNFMM-GXTWGEPZSA-N -1 3 384.444 0.215 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001571242671 953258841 /nfs/dbraw/zinc/25/88/41/953258841.db2.gz LGDKDAYTYHCQQE-STQMWFEESA-N -1 3 384.444 0.167 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001571242671 953258842 /nfs/dbraw/zinc/25/88/42/953258842.db2.gz LGDKDAYTYHCQQE-STQMWFEESA-N -1 3 384.444 0.167 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)CN2CCCC2=O)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571242632 953258905 /nfs/dbraw/zinc/25/89/05/953258905.db2.gz KOVKLEQYBBOGIY-JSGCOSHPSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)CN2CCCC2=O)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571242632 953258911 /nfs/dbraw/zinc/25/89/11/953258911.db2.gz KOVKLEQYBBOGIY-JSGCOSHPSA-N -1 3 384.444 0.358 20 0 GCADHM CCN1C[C@H](C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571242762 953259485 /nfs/dbraw/zinc/25/94/85/953259485.db2.gz NJPZAAKKAJWMCE-ZIAGYGMSSA-N -1 3 384.444 0.533 20 0 GCADHM CCN1C[C@H](C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571242762 953259487 /nfs/dbraw/zinc/25/94/87/953259487.db2.gz NJPZAAKKAJWMCE-ZIAGYGMSSA-N -1 3 384.444 0.533 20 0 GCADHM CCN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242825 953260566 /nfs/dbraw/zinc/26/05/66/953260566.db2.gz OVVCSXCRLCOVDY-TZMCWYRMSA-N -1 3 384.444 0.215 20 0 GCADHM CCN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242825 953260567 /nfs/dbraw/zinc/26/05/67/953260567.db2.gz OVVCSXCRLCOVDY-TZMCWYRMSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001571242925 953261008 /nfs/dbraw/zinc/26/10/08/953261008.db2.gz REQMOUSPAVXILN-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001571242925 953261010 /nfs/dbraw/zinc/26/10/10/953261010.db2.gz REQMOUSPAVXILN-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001571242927 953261156 /nfs/dbraw/zinc/26/11/56/953261156.db2.gz REWKAOJHXBYICI-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001571242927 953261162 /nfs/dbraw/zinc/26/11/62/953261162.db2.gz REWKAOJHXBYICI-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM CCN1C[C@@H](C(=O)N2CC[C@H](N(C)c3ncccc3-c3nnn[n-]3)C2)CC1=O ZINC001571242942 953262080 /nfs/dbraw/zinc/26/20/80/953262080.db2.gz RMJRTSSWGRNOJK-STQMWFEESA-N -1 3 384.444 0.167 20 0 GCADHM CCN1C[C@@H](C(=O)N2CC[C@H](N(C)c3ncccc3-c3nn[n-]n3)C2)CC1=O ZINC001571242942 953262082 /nfs/dbraw/zinc/26/20/82/953262082.db2.gz RMJRTSSWGRNOJK-STQMWFEESA-N -1 3 384.444 0.167 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001571242955 953262109 /nfs/dbraw/zinc/26/21/09/953262109.db2.gz RVPUNCYAVXMREL-RISCZKNCSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001571242955 953262113 /nfs/dbraw/zinc/26/21/13/953262113.db2.gz RVPUNCYAVXMREL-RISCZKNCSA-N -1 3 384.444 0.579 20 0 GCADHM CCN1C[C@@H](C(=O)N2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)CC1=O ZINC001571243183 953263969 /nfs/dbraw/zinc/26/39/69/953263969.db2.gz YETONPXSURGRBP-ZDUSSCGKSA-N -1 3 384.444 0.087 20 0 GCADHM CCN1C[C@@H](C(=O)N2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)CC1=O ZINC001571243183 953263970 /nfs/dbraw/zinc/26/39/70/953263970.db2.gz YETONPXSURGRBP-ZDUSSCGKSA-N -1 3 384.444 0.087 20 0 GCADHM CC[C@H](C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)N1CCCC1=O ZINC001571243186 953264064 /nfs/dbraw/zinc/26/40/64/953264064.db2.gz YFIUAVJMAABIDJ-GXTWGEPZSA-N -1 3 384.444 0.676 20 0 GCADHM CC[C@H](C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)N1CCCC1=O ZINC001571243186 953264067 /nfs/dbraw/zinc/26/40/67/953264067.db2.gz YFIUAVJMAABIDJ-GXTWGEPZSA-N -1 3 384.444 0.676 20 0 GCADHM CCn1nncc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001571245063 953269834 /nfs/dbraw/zinc/26/98/34/953269834.db2.gz DDCJPOVLCMRNBJ-AAEUAGOBSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1nncc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001571245063 953269836 /nfs/dbraw/zinc/26/98/36/953269836.db2.gz DDCJPOVLCMRNBJ-AAEUAGOBSA-N -1 3 384.448 0.589 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCN(Cc2nncn2C)C1 ZINC001571245148 953271040 /nfs/dbraw/zinc/27/10/40/953271040.db2.gz DRWYSCNOIJHFND-NWDGAFQWSA-N -1 3 384.448 0.354 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCN(Cc2nncn2C)C1 ZINC001571245148 953271043 /nfs/dbraw/zinc/27/10/43/953271043.db2.gz DRWYSCNOIJHFND-NWDGAFQWSA-N -1 3 384.448 0.354 20 0 GCADHM CN(Cc1nncn1C)C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571245206 953271372 /nfs/dbraw/zinc/27/13/72/953271372.db2.gz FGPISULUPBRACA-LBPRGKRZSA-N -1 3 384.448 0.308 20 0 GCADHM CN(Cc1nncn1C)C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571245206 953271374 /nfs/dbraw/zinc/27/13/74/953271374.db2.gz FGPISULUPBRACA-LBPRGKRZSA-N -1 3 384.448 0.308 20 0 GCADHM CC(C)n1ncnc1CN[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571245402 953273232 /nfs/dbraw/zinc/27/32/32/953273232.db2.gz HTTNNMPTLGEJFV-LBPRGKRZSA-N -1 3 384.448 0.762 20 0 GCADHM CCCn1ncnc1CN1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571245593 953275073 /nfs/dbraw/zinc/27/50/73/953275073.db2.gz KAGMNSBONYEXOG-GFCCVEGCSA-N -1 3 384.448 0.448 20 0 GCADHM CCCn1ncnc1CN1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571245593 953275074 /nfs/dbraw/zinc/27/50/74/953275074.db2.gz KAGMNSBONYEXOG-GFCCVEGCSA-N -1 3 384.448 0.448 20 0 GCADHM CCn1ncc(CN(C)C[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571245886 953277615 /nfs/dbraw/zinc/27/76/15/953277615.db2.gz NXOOJIYDFUEUCX-GFCCVEGCSA-N -1 3 384.448 0.400 20 0 GCADHM CCn1ncc(CN(C)C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571245886 953277616 /nfs/dbraw/zinc/27/76/16/953277616.db2.gz NXOOJIYDFUEUCX-GFCCVEGCSA-N -1 3 384.448 0.400 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1Cc1cnnn1CC ZINC001571245997 953279572 /nfs/dbraw/zinc/27/95/72/953279572.db2.gz QIMUGQKBACMFTF-DZGCQCFKSA-N -1 3 384.448 0.589 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1Cc1cnnn1CC ZINC001571245997 953279578 /nfs/dbraw/zinc/27/95/78/953279578.db2.gz QIMUGQKBACMFTF-DZGCQCFKSA-N -1 3 384.448 0.589 20 0 GCADHM CNS(=O)(=O)c1ccc(CNC(=O)c2csc(-c3nnn[n-]3)c2)s1 ZINC001571246069 953280174 /nfs/dbraw/zinc/28/01/74/953280174.db2.gz RUEOZAQMPXWEGQ-UHFFFAOYSA-N -1 3 384.468 0.828 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C)C2)ccc1-c1nnn[n-]1 ZINC001571248048 953289193 /nfs/dbraw/zinc/28/91/93/953289193.db2.gz CQDFMISBIFLJBE-QWHCGFSZSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C)C2)ccc1-c1nn[n-]n1 ZINC001571248048 953289198 /nfs/dbraw/zinc/28/91/98/953289198.db2.gz CQDFMISBIFLJBE-QWHCGFSZSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)[C@H]3CCNC(=O)CC3)C2)ccc1-c1nnn[n-]1 ZINC001571248824 953298319 /nfs/dbraw/zinc/29/83/19/953298319.db2.gz JMHGCNMAWNDIMM-CHWSQXEVSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)[C@H]3CCNC(=O)CC3)C2)ccc1-c1nn[n-]n1 ZINC001571248824 953298320 /nfs/dbraw/zinc/29/83/20/953298320.db2.gz JMHGCNMAWNDIMM-CHWSQXEVSA-N -1 3 384.444 0.181 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571248882 953298538 /nfs/dbraw/zinc/29/85/38/953298538.db2.gz LCVUNUWKHCBWKE-QWHCGFSZSA-N -1 3 384.444 0.202 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571248882 953298541 /nfs/dbraw/zinc/29/85/41/953298541.db2.gz LCVUNUWKHCBWKE-QWHCGFSZSA-N -1 3 384.444 0.202 20 0 GCADHM Cc1nc(NCC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571248962 953299715 /nfs/dbraw/zinc/29/97/15/953299715.db2.gz MYQKYNASMQPPJH-GXTWGEPZSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(NCC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571248962 953299720 /nfs/dbraw/zinc/29/97/20/953299720.db2.gz MYQKYNASMQPPJH-GXTWGEPZSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(NC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)ccc1-c1nnn[n-]1 ZINC001571249315 953303447 /nfs/dbraw/zinc/30/34/47/953303447.db2.gz ODZFPUMEIIAHOA-TZMCWYRMSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1nc(NC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)ccc1-c1nn[n-]n1 ZINC001571249315 953303452 /nfs/dbraw/zinc/30/34/52/953303452.db2.gz ODZFPUMEIIAHOA-TZMCWYRMSA-N -1 3 384.444 0.451 20 0 GCADHM O=C([C@H]1CCCC(=O)N1)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571249290 953303868 /nfs/dbraw/zinc/30/38/68/953303868.db2.gz NJXILGQQHOSGCR-TZMCWYRMSA-N -1 3 384.444 0.723 20 0 GCADHM O=C([C@H]1CCCC(=O)N1)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571249290 953303873 /nfs/dbraw/zinc/30/38/73/953303873.db2.gz NJXILGQQHOSGCR-TZMCWYRMSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@H]1CCC(=O)NC1 ZINC001571249422 953304140 /nfs/dbraw/zinc/30/41/40/953304140.db2.gz PNHMFHJLWQPLJM-QWHCGFSZSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@H]1CCC(=O)NC1 ZINC001571249422 953304143 /nfs/dbraw/zinc/30/41/43/953304143.db2.gz PNHMFHJLWQPLJM-QWHCGFSZSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571251223 953315232 /nfs/dbraw/zinc/31/52/32/953315232.db2.gz SSSNQLTZHIKWJG-STQMWFEESA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571251223 953315236 /nfs/dbraw/zinc/31/52/36/953315236.db2.gz SSSNQLTZHIKWJG-STQMWFEESA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571251712 953318830 /nfs/dbraw/zinc/31/88/30/953318830.db2.gz UVHAVALTVNAHBF-IACUBPJLSA-N -1 3 384.444 0.770 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571251712 953318834 /nfs/dbraw/zinc/31/88/34/953318834.db2.gz UVHAVALTVNAHBF-IACUBPJLSA-N -1 3 384.444 0.770 20 0 GCADHM O=C(CN1CCCC1=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001571252228 953325164 /nfs/dbraw/zinc/32/51/64/953325164.db2.gz ZGRRETWZFXIDRK-JOCQHMNTSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(CN1CCCC1=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001571252228 953325167 /nfs/dbraw/zinc/32/51/67/953325167.db2.gz ZGRRETWZFXIDRK-JOCQHMNTSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(NCC1CN(C[C@@H](O)c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571254172 953335861 /nfs/dbraw/zinc/33/58/61/953335861.db2.gz DIVRPWGWZXMYJC-MRXNPFEDSA-N -1 3 385.403 0.729 20 0 GCADHM C[C@@H](NC(=O)c1ccco1)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001571254502 953338816 /nfs/dbraw/zinc/33/88/16/953338816.db2.gz ACDOWCBUZQUCRW-QMTHXVAHSA-N -1 3 385.384 0.447 20 0 GCADHM C[C@@H](NC(=O)c1ccco1)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001571254502 953338820 /nfs/dbraw/zinc/33/88/20/953338820.db2.gz ACDOWCBUZQUCRW-QMTHXVAHSA-N -1 3 385.384 0.447 20 0 GCADHM C[C@@H](NC(=O)c1ccco1)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001571254507 953339324 /nfs/dbraw/zinc/33/93/24/953339324.db2.gz ACDOWCBUZQUCRW-YGRLFVJLSA-N -1 3 385.384 0.447 20 0 GCADHM C[C@@H](NC(=O)c1ccco1)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001571254507 953339326 /nfs/dbraw/zinc/33/93/26/953339326.db2.gz ACDOWCBUZQUCRW-YGRLFVJLSA-N -1 3 385.384 0.447 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccccc1F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571254698 953341188 /nfs/dbraw/zinc/34/11/88/953341188.db2.gz ICGSEEDIUMALQO-CQSZACIVSA-N -1 3 385.403 0.965 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccccc1F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571254698 953341190 /nfs/dbraw/zinc/34/11/90/953341190.db2.gz ICGSEEDIUMALQO-CQSZACIVSA-N -1 3 385.403 0.965 20 0 GCADHM CCC(=O)N1CC(n2cc(CNCc3ccc(-c4nnn[n-]4)c(F)c3)nn2)C1 ZINC001571254802 953343074 /nfs/dbraw/zinc/34/30/74/953343074.db2.gz JPHZSRFADGXINQ-UHFFFAOYSA-N -1 3 385.407 0.680 20 0 GCADHM CCC(=O)N1CC(n2cc(CNCc3ccc(-c4nn[n-]n4)c(F)c3)nn2)C1 ZINC001571254802 953343075 /nfs/dbraw/zinc/34/30/75/953343075.db2.gz JPHZSRFADGXINQ-UHFFFAOYSA-N -1 3 385.407 0.680 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)n1cncn1 ZINC001571254791 953343137 /nfs/dbraw/zinc/34/31/37/953343137.db2.gz JDOHQDYTSOIWQB-NSHDSACASA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)n1cncn1 ZINC001571254791 953343139 /nfs/dbraw/zinc/34/31/39/953343139.db2.gz JDOHQDYTSOIWQB-NSHDSACASA-N -1 3 385.407 0.944 20 0 GCADHM COC(=O)COCC(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001571254975 953344256 /nfs/dbraw/zinc/34/42/56/953344256.db2.gz DJICYOUSCSYXQP-UHFFFAOYSA-N -1 3 385.384 0.073 20 0 GCADHM COC(=O)COCC(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001571254975 953344261 /nfs/dbraw/zinc/34/42/61/953344261.db2.gz DJICYOUSCSYXQP-UHFFFAOYSA-N -1 3 385.384 0.073 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)co1 ZINC001571255577 953350737 /nfs/dbraw/zinc/35/07/37/953350737.db2.gz JPKQHQGRRJBYCO-TZMCWYRMSA-N -1 3 385.384 0.102 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)co1 ZINC001571255577 953350741 /nfs/dbraw/zinc/35/07/41/953350741.db2.gz JPKQHQGRRJBYCO-TZMCWYRMSA-N -1 3 385.384 0.102 20 0 GCADHM O=C(NC[C@@H]1CCN1C[C@@H](O)c1ccccc1F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571255569 953351129 /nfs/dbraw/zinc/35/11/29/953351129.db2.gz QLUYPZSPXATPPN-BLLLJJGKSA-N -1 3 385.403 0.872 20 0 GCADHM O=C(NC[C@@H]1CCN1C[C@@H](O)c1ccccc1F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571255569 953351133 /nfs/dbraw/zinc/35/11/33/953351133.db2.gz QLUYPZSPXATPPN-BLLLJJGKSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1CC(=O)Nc1ccon1 ZINC001571255722 953353710 /nfs/dbraw/zinc/35/37/10/953353710.db2.gz MBJGCIKZFLYDBO-KOLCDFICSA-N -1 3 385.388 0.014 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1CC(=O)Nc1ccon1 ZINC001571255722 953353717 /nfs/dbraw/zinc/35/37/17/953353717.db2.gz MBJGCIKZFLYDBO-KOLCDFICSA-N -1 3 385.388 0.014 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571255827 953356248 /nfs/dbraw/zinc/35/62/48/953356248.db2.gz QKDPUMOCSXDBJK-LBPRGKRZSA-N -1 3 384.849 0.665 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571255827 953356255 /nfs/dbraw/zinc/35/62/55/953356255.db2.gz QKDPUMOCSXDBJK-LBPRGKRZSA-N -1 3 384.849 0.665 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C)n1cncn1 ZINC001571255896 953358082 /nfs/dbraw/zinc/35/80/82/953358082.db2.gz VYIPRKHCOPUXLX-NQBHXWOUSA-N -1 3 385.407 0.799 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C)n1cncn1 ZINC001571255896 953358090 /nfs/dbraw/zinc/35/80/90/953358090.db2.gz VYIPRKHCOPUXLX-NQBHXWOUSA-N -1 3 385.407 0.799 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1cnn(C)c1 ZINC001571256079 953361633 /nfs/dbraw/zinc/36/16/33/953361633.db2.gz XRPVEXUDHLTNFA-ZWNOBZJWSA-N -1 3 385.407 0.951 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1cnn(C)c1 ZINC001571256079 953361639 /nfs/dbraw/zinc/36/16/39/953361639.db2.gz XRPVEXUDHLTNFA-ZWNOBZJWSA-N -1 3 385.407 0.951 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571256212 953364744 /nfs/dbraw/zinc/36/47/44/953364744.db2.gz QGEFXBSWWZIMAS-UWVGGRQHSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571256212 953364754 /nfs/dbraw/zinc/36/47/54/953364754.db2.gz QGEFXBSWWZIMAS-UWVGGRQHSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571256211 953366622 /nfs/dbraw/zinc/36/66/22/953366622.db2.gz QGEFXBSWWZIMAS-NXEZZACHSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001571256211 953366628 /nfs/dbraw/zinc/36/66/28/953366628.db2.gz QGEFXBSWWZIMAS-NXEZZACHSA-N -1 3 385.388 0.249 20 0 GCADHM COc1cncc(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571256323 953370355 /nfs/dbraw/zinc/37/03/55/953370355.db2.gz UVGRHWPEOULDDV-JTQLQIEISA-N -1 3 385.363 0.208 20 0 GCADHM COc1cncc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571256323 953370364 /nfs/dbraw/zinc/37/03/64/953370364.db2.gz UVGRHWPEOULDDV-JTQLQIEISA-N -1 3 385.363 0.208 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCC(=O)N(CCN(C)C)CC(=O)[O-])cc1C ZINC000532865921 953565554 /nfs/dbraw/zinc/56/55/54/953565554.db2.gz OIAPKMAPPDIXBL-UHFFFAOYSA-N -1 3 385.486 0.447 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000532866373 953565840 /nfs/dbraw/zinc/56/58/40/953565840.db2.gz IZFHEIYFRZNPLH-ZDUSSCGKSA-N -1 3 391.424 0.286 20 0 GCADHM CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(CCN(C)C)CC(=O)[O-])c1 ZINC000532872130 953566463 /nfs/dbraw/zinc/56/64/63/953566463.db2.gz KJSBLEYHYHWXST-UHFFFAOYSA-N -1 3 385.486 0.804 20 0 GCADHM O=C([O-])CN1CCC(NS(=O)(=O)c2ccnn2CCc2ccccc2)CC1 ZINC000621242877 953790315 /nfs/dbraw/zinc/79/03/15/953790315.db2.gz AIPXUJRFPATGHQ-UHFFFAOYSA-N -1 3 392.481 0.953 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001593699160 954094720 /nfs/dbraw/zinc/09/47/20/954094720.db2.gz GXNRDBIDCNYIDB-AWEZNQCLSA-N -1 3 387.477 0.877 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cccc(I)c1N ZINC001593699334 954097235 /nfs/dbraw/zinc/09/72/35/954097235.db2.gz WWPQFXVYGDJIPQ-UHFFFAOYSA-N -1 3 391.209 0.962 20 0 GCADHM CC1CCN(CCNC(=O)[C@@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001589353494 954103715 /nfs/dbraw/zinc/10/37/15/954103715.db2.gz OCZDJEFDTACCJK-LJQANCHMSA-N -1 3 399.488 0.925 20 0 GCADHM O=C([O-])C1(C(=O)N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CCS(=O)(=O)CC1 ZINC001594847304 954156360 /nfs/dbraw/zinc/15/63/60/954156360.db2.gz IXWUKQVDBCBILY-DZGCQCFKSA-N -1 3 384.498 0.741 20 0 GCADHM CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000659412771 954335394 /nfs/dbraw/zinc/33/53/94/954335394.db2.gz SMEUWYULZJFPJR-LJQANCHMSA-N -1 3 378.473 0.690 20 0 GCADHM C[C@@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1C(=O)[O-] ZINC001589396410 954379276 /nfs/dbraw/zinc/37/92/76/954379276.db2.gz YETLYRPPAXCCKD-IUODEOHRSA-N -1 3 383.470 0.035 20 0 GCADHM O=C([O-])C1=NO[C@@H](C(=O)N2CCCN(Cc3ccccc3)CCOCC2)C1 ZINC001594892517 954546259 /nfs/dbraw/zinc/54/62/59/954546259.db2.gz SCMUYVXMBJKRDQ-QGZVFWFLSA-N -1 3 375.425 0.967 20 0 GCADHM Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N(CCC(=O)[O-])C2CCOCC2)cn1 ZINC001593773955 954573266 /nfs/dbraw/zinc/57/32/66/954573266.db2.gz HJCGBAKFTLNUDE-IRXDYDNUSA-N -1 3 378.473 0.938 20 0 GCADHM CCC1CCC2(CC1)NC(=O)N(CC(=O)N(CCN(C)C)CC(=O)[O-])C2=O ZINC000676206034 954582431 /nfs/dbraw/zinc/58/24/31/954582431.db2.gz CFFMAUZIDGXECX-UHFFFAOYSA-N -1 3 382.461 0.352 20 0 GCADHM Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)cn1 ZINC001593774538 954585081 /nfs/dbraw/zinc/58/50/81/954585081.db2.gz OVOQPJBQWCVKQB-TVXJVOLJSA-N -1 3 390.484 0.984 20 0 GCADHM COC[C@]1(C(=O)[O-])CN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000711534997 955047129 /nfs/dbraw/zinc/04/71/29/955047129.db2.gz PGHMOXHHICSKKB-LPHOPBHVSA-N -1 3 377.441 0.773 20 0 GCADHM C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CC[C@@H](C(=O)[O-])C1 ZINC000817738149 955365738 /nfs/dbraw/zinc/36/57/38/955365738.db2.gz SYUGQEAZXBBCHX-CRAIPNDOSA-N -1 3 375.469 0.930 20 0 GCADHM COC(=O)CCN1CCC[C@H](N2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)C1=O ZINC001593844150 955390887 /nfs/dbraw/zinc/39/08/87/955390887.db2.gz AFNNVJFHBHYVHB-YCPHGPKFSA-N -1 3 392.456 0.464 20 0 GCADHM O=C([O-])[C@@H]1CCN(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000819153724 955435705 /nfs/dbraw/zinc/43/57/05/955435705.db2.gz IESPMRJHGALCCC-CQSZACIVSA-N -1 3 392.431 0.315 20 0 GCADHM COC(=O)c1c(Cl)cccc1S(=O)(=O)NC1CCN(CC(=O)[O-])CC1 ZINC001593866896 955586952 /nfs/dbraw/zinc/58/69/52/955586952.db2.gz GBPSUXDFIRFFDC-UHFFFAOYSA-N -1 3 390.845 0.954 20 0 GCADHM Cn1ncc(S(=O)(=O)[N-]C2CC[NH+](CC(=O)[O-])CC2)c1Br ZINC001594586664 956004718 /nfs/dbraw/zinc/00/47/18/956004718.db2.gz OIFMJHHPKQNWMR-UHFFFAOYSA-N -1 3 381.252 0.010 20 0 GCADHM COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1CN(C3CC3)C[C@@H]1C)C[C@H]2C(=O)[O-] ZINC000898819082 956263298 /nfs/dbraw/zinc/26/32/98/956263298.db2.gz FTYAFAJGSDJJPL-JZZYWRLASA-N -1 3 379.457 0.765 20 0 GCADHM COC[C@]1(C(=O)[O-])CCN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1 ZINC001593967603 956572990 /nfs/dbraw/zinc/57/29/90/956572990.db2.gz TYABAOOOWNYFLX-SFHVURJKSA-N -1 3 380.397 0.333 20 0 GCADHM COC[C@@]1(C(=O)[O-])CCN(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)C1 ZINC001593967744 956577216 /nfs/dbraw/zinc/57/72/16/956577216.db2.gz VUORZZCMXKTFRV-LJQANCHMSA-N -1 3 377.441 0.815 20 0 GCADHM COCCN(C)CCN1C[C@H](NC(=O)/C=C\c2ccc(C(=O)[O-])o2)CC1=O ZINC001593995763 956894983 /nfs/dbraw/zinc/89/49/83/956894983.db2.gz SHUXYIIHXQTPNW-RYWCDNDXSA-N -1 3 379.413 0.286 20 0 GCADHM COC(=O)/C=C\c1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001119059023 957183675 /nfs/dbraw/zinc/18/36/75/957183675.db2.gz KORMIMVVJUGHBU-DAXSKMNVSA-N -1 3 382.438 0.700 20 0 GCADHM COc1ccc([C@@H](CN(C)C)NC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc1 ZINC001594081222 958270000 /nfs/dbraw/zinc/27/00/00/958270000.db2.gz YLOONTDDKQUJRC-HZPDHXFCSA-N -1 3 377.441 0.737 20 0 GCADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(CC[NH+](C)C)CC(=O)[O-] ZINC001594445092 959320426 /nfs/dbraw/zinc/32/04/26/959320426.db2.gz KJDVKJSPAYPAQQ-UHFFFAOYSA-N -1 3 387.440 0.548 20 0 GCADHM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N(CC[NH+](C)C)CC(=O)[O-] ZINC001594445808 959328445 /nfs/dbraw/zinc/32/84/45/959328445.db2.gz HSZMVSRHZRGTKT-UHFFFAOYSA-N -1 3 387.440 0.960 20 0 GCADHM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001594221126 959375675 /nfs/dbraw/zinc/37/56/75/959375675.db2.gz MBWZSJGCDQPUNX-ZBFHGGJFSA-N -1 3 396.488 0.347 20 0 GCADHM C[S@](=O)(=NS(=O)(=O)NC1CCN(CC(=O)[O-])CC1)C1CCCCC1 ZINC001574241885 960465422 /nfs/dbraw/zinc/46/54/22/960465422.db2.gz HHPKJVWOTXWIPH-HSZRJFAPSA-N -1 3 381.520 0.800 20 0 GCADHM NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC001329604967 961279975 /nfs/dbraw/zinc/27/99/75/961279975.db2.gz UDXXRKPLSCHYIO-CQSZACIVSA-N -1 3 383.470 0.322 20 0 GCADHM CCN1CCN(c2ccc(NC(=O)CN(CCOC)CC(=O)[O-])cc2)CC1 ZINC001573888353 961323860 /nfs/dbraw/zinc/32/38/60/961323860.db2.gz BUSUTNIXFDQNIU-UHFFFAOYSA-N -1 3 378.473 0.800 20 0 GCADHM CN(C)[C@@H](CNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)Cc1ccccc1 ZINC001573986475 961793628 /nfs/dbraw/zinc/79/36/28/961793628.db2.gz LWNVJSORPYUJSX-SJORKVTESA-N -1 3 390.484 0.924 20 0 GCADHM COC(=O)C1CC2(C1)CN(CC(=O)N1C[C@@H](C)OC(C)(C)C1)C[C@@H]2C(=O)[O-] ZINC001574046665 962116566 /nfs/dbraw/zinc/11/65/66/962116566.db2.gz FFOQZJUWNYBYNO-QWHDWNGZSA-N -1 3 382.457 0.598 20 0 GCADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C1CC[NH+](CC(=O)[O-])CC1 ZINC001574098127 962383951 /nfs/dbraw/zinc/38/39/51/962383951.db2.gz YWLKYQHQMOLJKX-UHFFFAOYSA-N -1 3 391.833 0.349 20 0 GCADHM C[C@H](C(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1)N1CCN(C)CC1 ZINC001517333766 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GCADHM O=S1CCC(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000443040421 531195099 /nfs/dbraw/zinc/19/50/99/531195099.db2.gz JYIVGIIXPHMLNZ-UHFFFAOYSA-N -1 3 375.863 0.710 20 0 GCADHM O=S1CCC(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000443040421 531195103 /nfs/dbraw/zinc/19/51/03/531195103.db2.gz JYIVGIIXPHMLNZ-UHFFFAOYSA-N -1 3 375.863 0.710 20 0 GCADHM CCN1C[C@@H](C)N(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C)C[C@H]1C ZINC000443038637 531195436 /nfs/dbraw/zinc/19/54/36/531195436.db2.gz PFNNLSVBCJXDES-CHWSQXEVSA-N -1 3 375.516 0.698 20 0 GCADHM O=S(=O)(CC1CCOCC1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000443087340 531196644 /nfs/dbraw/zinc/19/66/44/531196644.db2.gz PLTUQFPHGUJOOH-UHFFFAOYSA-N -1 3 398.453 0.589 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C)C(=O)N1CCCC[C@H]1C ZINC000443076985 531196649 /nfs/dbraw/zinc/19/66/49/531196649.db2.gz LBXWUPIQXNCRHA-NXEZZACHSA-N -1 3 375.472 0.998 20 0 GCADHM O=S(=O)([N-]CCNS(=O)(=O)c1cncc(F)c1)c1ccc(F)cc1F ZINC000443093071 531196771 /nfs/dbraw/zinc/19/67/71/531196771.db2.gz IFODPHFWYDYNBN-UHFFFAOYSA-N -1 3 395.384 0.756 20 0 GCADHM COCCCCS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000443088300 531196792 /nfs/dbraw/zinc/19/67/92/531196792.db2.gz MVBLJZCILSCWBG-UHFFFAOYSA-N -1 3 386.442 0.589 20 0 GCADHM O=S(=O)([N-]CCNS(=O)(=O)c1cccnc1)c1ccc(F)cc1F ZINC000443092756 531196941 /nfs/dbraw/zinc/19/69/41/531196941.db2.gz KLGNULKVNJBSMR-UHFFFAOYSA-N -1 3 377.394 0.617 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](C(C)C)N1CCOCC1 ZINC000443103168 531197355 /nfs/dbraw/zinc/19/73/55/531197355.db2.gz QSCFPMVEGKISOJ-LLVKDONJSA-N -1 3 377.488 0.565 20 0 GCADHM C[C@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)NCCO)cc1)C(F)(F)F ZINC000566487061 531198786 /nfs/dbraw/zinc/19/87/86/531198786.db2.gz SXWXESURQUSGHQ-QMMMGPOBSA-N -1 3 376.378 0.186 20 0 GCADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C(=O)NC(C)(C)C ZINC000443209929 531198210 /nfs/dbraw/zinc/19/82/10/531198210.db2.gz GYYUDEVAXRMEEW-LLVKDONJSA-N -1 3 391.515 0.518 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736040788 598823734 /nfs/dbraw/zinc/82/37/34/598823734.db2.gz RKVYFPIGMZOONZ-FZMZJTMJSA-N -1 3 378.458 0.385 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736040793 598823824 /nfs/dbraw/zinc/82/38/24/598823824.db2.gz RKVYFPIGMZOONZ-SMDDNHRTSA-N -1 3 378.458 0.385 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736884660 598827619 /nfs/dbraw/zinc/82/76/19/598827619.db2.gz WKQHLXXEFQKXGR-XEHSLEBBSA-N -1 3 376.442 0.420 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736884660 598827621 /nfs/dbraw/zinc/82/76/21/598827621.db2.gz WKQHLXXEFQKXGR-XEHSLEBBSA-N -1 3 376.442 0.420 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736040968 598827009 /nfs/dbraw/zinc/82/70/09/598827009.db2.gz SRGMOOBLKZHUAR-NSHDSACASA-N -1 3 378.458 0.703 20 0 GCADHM CO[C@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(F)(F)F ZINC000736961203 598827252 /nfs/dbraw/zinc/82/72/52/598827252.db2.gz JYZCLTKNKSITRN-LLVKDONJSA-N -1 3 396.333 0.942 20 0 GCADHM CO[C@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(F)(F)F ZINC000736961203 598827254 /nfs/dbraw/zinc/82/72/54/598827254.db2.gz JYZCLTKNKSITRN-LLVKDONJSA-N -1 3 396.333 0.942 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736881657 598827413 /nfs/dbraw/zinc/82/74/13/598827413.db2.gz GIVKOZYZFBHYLZ-CQSZACIVSA-N -1 3 378.458 0.340 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736881657 598827415 /nfs/dbraw/zinc/82/74/15/598827415.db2.gz GIVKOZYZFBHYLZ-CQSZACIVSA-N -1 3 378.458 0.340 20 0 GCADHM COC[C@]1(C)NC(=O)N(CN(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)C1=O ZINC000736976606 598829580 /nfs/dbraw/zinc/82/95/80/598829580.db2.gz GGUVNSLQSSPNJJ-SFHVURJKSA-N -1 3 387.444 0.992 20 0 GCADHM COC[C@]1(C)NC(=O)N(CN(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)C1=O ZINC000736976606 598829583 /nfs/dbraw/zinc/82/95/83/598829583.db2.gz GGUVNSLQSSPNJJ-SFHVURJKSA-N -1 3 387.444 0.992 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735571669 598830794 /nfs/dbraw/zinc/83/07/94/598830794.db2.gz GVUCWLCKCOQOAK-NEPJUHHUSA-N -1 3 380.474 0.236 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735571669 598830795 /nfs/dbraw/zinc/83/07/95/598830795.db2.gz GVUCWLCKCOQOAK-NEPJUHHUSA-N -1 3 380.474 0.236 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735572105 598835656 /nfs/dbraw/zinc/83/56/56/598835656.db2.gz RJSXYCCSCWQAJK-QWRGUYRKSA-N -1 3 387.487 0.450 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735572105 598835658 /nfs/dbraw/zinc/83/56/58/598835658.db2.gz RJSXYCCSCWQAJK-QWRGUYRKSA-N -1 3 387.487 0.450 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736885104 598840804 /nfs/dbraw/zinc/84/08/04/598840804.db2.gz XDVMRTPLFYVQIE-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736885104 598840808 /nfs/dbraw/zinc/84/08/08/598840808.db2.gz XDVMRTPLFYVQIE-BXUZGUMPSA-N -1 3 393.473 0.651 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737769457 598841860 /nfs/dbraw/zinc/84/18/60/598841860.db2.gz KPHVAUUSSIMIGM-UHFFFAOYSA-N -1 3 394.363 0.722 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737769457 598841861 /nfs/dbraw/zinc/84/18/61/598841861.db2.gz KPHVAUUSSIMIGM-UHFFFAOYSA-N -1 3 394.363 0.722 20 0 GCADHM COC(=O)CCc1nc(COC(=O)COc2ccccc2-c2nnn[n-]2)no1 ZINC000736918523 598842803 /nfs/dbraw/zinc/84/28/03/598842803.db2.gz FALQNVQDGOZNRV-UHFFFAOYSA-N -1 3 388.340 0.478 20 0 GCADHM COC(=O)CCc1nc(COC(=O)COc2ccccc2-c2nn[n-]n2)no1 ZINC000736918523 598842804 /nfs/dbraw/zinc/84/28/04/598842804.db2.gz FALQNVQDGOZNRV-UHFFFAOYSA-N -1 3 388.340 0.478 20 0 GCADHM CCOc1nnc(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736657936 598844994 /nfs/dbraw/zinc/84/49/94/598844994.db2.gz ZRTXWXXIGYDTMJ-UHFFFAOYSA-N -1 3 389.397 0.590 20 0 GCADHM CCOc1nnc(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736657936 598844997 /nfs/dbraw/zinc/84/49/97/598844997.db2.gz ZRTXWXXIGYDTMJ-UHFFFAOYSA-N -1 3 389.397 0.590 20 0 GCADHM COC(=O)NCCCC(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736937147 598846805 /nfs/dbraw/zinc/84/68/05/598846805.db2.gz JCZUXTSJQFTXSD-UHFFFAOYSA-N -1 3 376.373 0.162 20 0 GCADHM COC(=O)NCCCC(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736937147 598846806 /nfs/dbraw/zinc/84/68/06/598846806.db2.gz JCZUXTSJQFTXSD-UHFFFAOYSA-N -1 3 376.373 0.162 20 0 GCADHM C[C@@H](OC(=O)COC[C@H]1CCCO1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736155442 598849044 /nfs/dbraw/zinc/84/90/44/598849044.db2.gz NRLSCOGKWVCXMG-BXUZGUMPSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@@H](OC(=O)COC[C@H]1CCCO1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736155442 598849046 /nfs/dbraw/zinc/84/90/46/598849046.db2.gz NRLSCOGKWVCXMG-BXUZGUMPSA-N -1 3 375.385 0.933 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCn2c(C)nnc2C1 ZINC000737535488 598853348 /nfs/dbraw/zinc/85/33/48/598853348.db2.gz YLWIJAUEVCNUPI-UHFFFAOYSA-N -1 3 377.416 0.807 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCn2c(C)nnc2C1 ZINC000737535488 598853350 /nfs/dbraw/zinc/85/33/50/598853350.db2.gz YLWIJAUEVCNUPI-UHFFFAOYSA-N -1 3 377.416 0.807 20 0 GCADHM CC(=O)NCc1ccc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735482205 598853438 /nfs/dbraw/zinc/85/34/38/598853438.db2.gz OABRIBFNGTVVBQ-UHFFFAOYSA-N -1 3 393.407 0.758 20 0 GCADHM CC(=O)NCc1ccc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735482205 598853440 /nfs/dbraw/zinc/85/34/40/598853440.db2.gz OABRIBFNGTVVBQ-UHFFFAOYSA-N -1 3 393.407 0.758 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736657766 598854202 /nfs/dbraw/zinc/85/42/02/598854202.db2.gz WRDYUGXEDJEOHL-NSHDSACASA-N -1 3 394.457 0.395 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736657766 598854204 /nfs/dbraw/zinc/85/42/04/598854204.db2.gz WRDYUGXEDJEOHL-NSHDSACASA-N -1 3 394.457 0.395 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000737002607 598854490 /nfs/dbraw/zinc/85/44/90/598854490.db2.gz PBZDAFBTKVYIIC-GFCCVEGCSA-N -1 3 396.473 0.458 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000737002607 598854492 /nfs/dbraw/zinc/85/44/92/598854492.db2.gz PBZDAFBTKVYIIC-GFCCVEGCSA-N -1 3 396.473 0.458 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735571397 598855241 /nfs/dbraw/zinc/85/52/41/598855241.db2.gz CUDIBOQZPRSKTA-UWVGGRQHSA-N -1 3 380.430 0.085 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735571397 598855243 /nfs/dbraw/zinc/85/52/43/598855243.db2.gz CUDIBOQZPRSKTA-UWVGGRQHSA-N -1 3 380.430 0.085 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736657757 598855604 /nfs/dbraw/zinc/85/56/04/598855604.db2.gz WNNBOKUFUCDBAM-SNVBAGLBSA-N -1 3 380.430 0.053 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736657757 598855605 /nfs/dbraw/zinc/85/56/05/598855605.db2.gz WNNBOKUFUCDBAM-SNVBAGLBSA-N -1 3 380.430 0.053 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncccn2)CC1 ZINC000736900754 598857836 /nfs/dbraw/zinc/85/78/36/598857836.db2.gz FSDOOMGRRVNHPJ-OAHLLOKOSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncccn2)CC1 ZINC000736900754 598857837 /nfs/dbraw/zinc/85/78/37/598857837.db2.gz FSDOOMGRRVNHPJ-OAHLLOKOSA-N -1 3 380.412 0.693 20 0 GCADHM NC(=O)COc1ccc(OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737751921 598858646 /nfs/dbraw/zinc/85/86/46/598858646.db2.gz BFNGUEVHSWPPPQ-UHFFFAOYSA-N -1 3 382.380 0.426 20 0 GCADHM NC(=O)COc1ccc(OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737751921 598858647 /nfs/dbraw/zinc/85/86/47/598858647.db2.gz BFNGUEVHSWPPPQ-UHFFFAOYSA-N -1 3 382.380 0.426 20 0 GCADHM CO[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000736960202 598855780 /nfs/dbraw/zinc/85/57/80/598855780.db2.gz GMBFRKSOKNUQRU-SECBINFHSA-N -1 3 376.270 0.638 20 0 GCADHM CO[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000736960202 598855781 /nfs/dbraw/zinc/85/57/81/598855781.db2.gz GMBFRKSOKNUQRU-SECBINFHSA-N -1 3 376.270 0.638 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2cnccn2)CC1 ZINC000736901538 598859651 /nfs/dbraw/zinc/85/96/51/598859651.db2.gz LNECSPHLYWQNSD-INIZCTEOSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cnccn2)CC1 ZINC000736901538 598859653 /nfs/dbraw/zinc/85/96/53/598859653.db2.gz LNECSPHLYWQNSD-INIZCTEOSA-N -1 3 380.412 0.693 20 0 GCADHM CCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736706570 598862063 /nfs/dbraw/zinc/86/20/63/598862063.db2.gz UIKLVSBDFTVIOE-CJNGLKHVSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736706570 598862064 /nfs/dbraw/zinc/86/20/64/598862064.db2.gz UIKLVSBDFTVIOE-CJNGLKHVSA-N -1 3 382.428 0.839 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000736900069 598860887 /nfs/dbraw/zinc/86/08/87/598860887.db2.gz CJIXFZVWCHWFEZ-GJZGRUSLSA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000736900069 598860888 /nfs/dbraw/zinc/86/08/88/598860888.db2.gz CJIXFZVWCHWFEZ-GJZGRUSLSA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000736901083 598862621 /nfs/dbraw/zinc/86/26/21/598862621.db2.gz IEASYGZMGIHHTI-CVEARBPZSA-N -1 3 383.412 0.678 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000736901083 598862623 /nfs/dbraw/zinc/86/26/23/598862623.db2.gz IEASYGZMGIHHTI-CVEARBPZSA-N -1 3 383.412 0.678 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736910694 598862880 /nfs/dbraw/zinc/86/28/80/598862880.db2.gz YAHKMUQNBAEHES-CABCVRRESA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736910694 598862882 /nfs/dbraw/zinc/86/28/82/598862882.db2.gz YAHKMUQNBAEHES-CABCVRRESA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cnn(C)c2)CC1 ZINC000736903335 598863195 /nfs/dbraw/zinc/86/31/95/598863195.db2.gz ZWJHGAUCHPUDIH-QGZVFWFLSA-N -1 3 396.455 0.632 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cnn(C)c2)CC1 ZINC000736903335 598863196 /nfs/dbraw/zinc/86/31/96/598863196.db2.gz ZWJHGAUCHPUDIH-QGZVFWFLSA-N -1 3 396.455 0.632 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736900175 598863572 /nfs/dbraw/zinc/86/35/72/598863572.db2.gz CYFLDAWKEZDQMW-RISCZKNCSA-N -1 3 394.457 0.081 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736900175 598863573 /nfs/dbraw/zinc/86/35/73/598863573.db2.gz CYFLDAWKEZDQMW-RISCZKNCSA-N -1 3 394.457 0.081 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736293878 598864676 /nfs/dbraw/zinc/86/46/76/598864676.db2.gz SCEJFSMZMIZJOG-JTQLQIEISA-N -1 3 398.876 0.968 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736293878 598864677 /nfs/dbraw/zinc/86/46/77/598864677.db2.gz SCEJFSMZMIZJOG-JTQLQIEISA-N -1 3 398.876 0.968 20 0 GCADHM C[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736279558 598866544 /nfs/dbraw/zinc/86/65/44/598866544.db2.gz ZAHVORQTCFTGDO-FZMZJTMJSA-N -1 3 383.412 0.940 20 0 GCADHM C[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736279558 598866546 /nfs/dbraw/zinc/86/65/46/598866546.db2.gz ZAHVORQTCFTGDO-FZMZJTMJSA-N -1 3 383.412 0.940 20 0 GCADHM C[C@@H]1C[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736233691 598866767 /nfs/dbraw/zinc/86/67/67/598866767.db2.gz GLZZOORTNVJKIV-MPKXVKKWSA-N -1 3 383.412 0.844 20 0 GCADHM C[C@@H]1C[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736233691 598866769 /nfs/dbraw/zinc/86/67/69/598866769.db2.gz GLZZOORTNVJKIV-MPKXVKKWSA-N -1 3 383.412 0.844 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736511024 598867026 /nfs/dbraw/zinc/86/70/26/598867026.db2.gz BZVJPYRZJOPKEQ-JTQLQIEISA-N -1 3 389.434 0.204 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736511024 598867028 /nfs/dbraw/zinc/86/70/28/598867028.db2.gz BZVJPYRZJOPKEQ-JTQLQIEISA-N -1 3 389.434 0.204 20 0 GCADHM O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738338232 598867815 /nfs/dbraw/zinc/86/78/15/598867815.db2.gz DTOCAYZUKXCKJZ-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM O=S(=O)(Oc1cccc(-n2cnnn2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738338232 598867817 /nfs/dbraw/zinc/86/78/17/598867817.db2.gz DTOCAYZUKXCKJZ-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM NC(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737760676 598869903 /nfs/dbraw/zinc/86/99/03/598869903.db2.gz JJLRBCUKJCSZIP-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NC(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737760676 598869905 /nfs/dbraw/zinc/86/99/05/598869905.db2.gz JJLRBCUKJCSZIP-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000735476347 598872138 /nfs/dbraw/zinc/87/21/38/598872138.db2.gz YIDLJVSEGZDMHR-LLVKDONJSA-N -1 3 382.421 0.543 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000735476347 598872139 /nfs/dbraw/zinc/87/21/39/598872139.db2.gz YIDLJVSEGZDMHR-LLVKDONJSA-N -1 3 382.421 0.543 20 0 GCADHM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737749566 598873952 /nfs/dbraw/zinc/87/39/52/598873952.db2.gz WXTNCRXDROFWAY-JTQLQIEISA-N -1 3 382.421 0.672 20 0 GCADHM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737749566 598873953 /nfs/dbraw/zinc/87/39/53/598873953.db2.gz WXTNCRXDROFWAY-JTQLQIEISA-N -1 3 382.421 0.672 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735572507 598874441 /nfs/dbraw/zinc/87/44/41/598874441.db2.gz XARMWEYCHLXYHV-BDAKNGLRSA-N -1 3 391.450 0.448 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735572507 598874443 /nfs/dbraw/zinc/87/44/43/598874443.db2.gz XARMWEYCHLXYHV-BDAKNGLRSA-N -1 3 391.450 0.448 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC1 ZINC000735921397 598875252 /nfs/dbraw/zinc/87/52/52/598875252.db2.gz RQJBLGWJLCLQFQ-AWEZNQCLSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC1 ZINC000735921397 598875253 /nfs/dbraw/zinc/87/52/53/598875253.db2.gz RQJBLGWJLCLQFQ-AWEZNQCLSA-N -1 3 378.458 0.792 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736909852 598875867 /nfs/dbraw/zinc/87/58/67/598875867.db2.gz RVUGNLKUCUXSPB-ZDUSSCGKSA-N -1 3 377.426 0.831 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736909852 598875868 /nfs/dbraw/zinc/87/58/68/598875868.db2.gz RVUGNLKUCUXSPB-ZDUSSCGKSA-N -1 3 377.426 0.831 20 0 GCADHM COC(=O)CCSCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736919455 598878505 /nfs/dbraw/zinc/87/85/05/598878505.db2.gz RXRDLJHFUZOAJT-UHFFFAOYSA-N -1 3 392.441 0.009 20 0 GCADHM COC(=O)CCSCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736919455 598878506 /nfs/dbraw/zinc/87/85/06/598878506.db2.gz RXRDLJHFUZOAJT-UHFFFAOYSA-N -1 3 392.441 0.009 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)OCC(F)F ZINC000737824166 598878561 /nfs/dbraw/zinc/87/85/61/598878561.db2.gz DSQCZYQICWLSKW-SNVBAGLBSA-N -1 3 380.311 0.880 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCC(F)F ZINC000737824166 598878562 /nfs/dbraw/zinc/87/85/62/598878562.db2.gz DSQCZYQICWLSKW-SNVBAGLBSA-N -1 3 380.311 0.880 20 0 GCADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CS(=O)(=O)NC(C)(C)C ZINC000736037663 598882647 /nfs/dbraw/zinc/88/26/47/598882647.db2.gz NJBVGDFBQSXPJE-LLVKDONJSA-N -1 3 397.457 0.895 20 0 GCADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CS(=O)(=O)NC(C)(C)C ZINC000736037663 598882649 /nfs/dbraw/zinc/88/26/49/598882649.db2.gz NJBVGDFBQSXPJE-LLVKDONJSA-N -1 3 397.457 0.895 20 0 GCADHM COC(=O)[C@H](N[C@@H](C)C(=O)NCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899115 598883971 /nfs/dbraw/zinc/88/39/71/598883971.db2.gz XPCGYLDYDACOIH-XHDPSFHLSA-N -1 3 384.396 0.968 20 0 GCADHM COC(=O)[C@H](N[C@@H](C)C(=O)NCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899115 598883973 /nfs/dbraw/zinc/88/39/73/598883973.db2.gz XPCGYLDYDACOIH-XHDPSFHLSA-N -1 3 384.396 0.968 20 0 GCADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCCN1C(=O)CNC1=O ZINC000736037330 598884276 /nfs/dbraw/zinc/88/42/76/598884276.db2.gz KKEMESJSJWMCCF-NSHDSACASA-N -1 3 388.384 0.509 20 0 GCADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCCN1C(=O)CNC1=O ZINC000736037330 598884277 /nfs/dbraw/zinc/88/42/77/598884277.db2.gz KKEMESJSJWMCCF-NSHDSACASA-N -1 3 388.384 0.509 20 0 GCADHM C[C@](O)(CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000736142318 598891243 /nfs/dbraw/zinc/89/12/43/598891243.db2.gz NGQVKAOVAUXOAP-KRWDZBQOSA-N -1 3 386.437 0.682 20 0 GCADHM C[C@](O)(CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000736142318 598891245 /nfs/dbraw/zinc/89/12/45/598891245.db2.gz NGQVKAOVAUXOAP-KRWDZBQOSA-N -1 3 386.437 0.682 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899233 598894666 /nfs/dbraw/zinc/89/46/66/598894666.db2.gz UUUJEBJPYYZHOU-STQMWFEESA-N -1 3 388.384 0.415 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899233 598894667 /nfs/dbraw/zinc/89/46/67/598894667.db2.gz UUUJEBJPYYZHOU-STQMWFEESA-N -1 3 388.384 0.415 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899554 598894672 /nfs/dbraw/zinc/89/46/72/598894672.db2.gz OFKFXQZYTCMYEN-HNNXBMFYSA-N -1 3 387.352 0.163 20 0 GCADHM COC(=O)[C@@H](OC(=O)CCN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899554 598894673 /nfs/dbraw/zinc/89/46/73/598894673.db2.gz OFKFXQZYTCMYEN-HNNXBMFYSA-N -1 3 387.352 0.163 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1cnn2cccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901078 598895330 /nfs/dbraw/zinc/89/53/30/598895330.db2.gz IAHHICRFFHXELT-ZDUSSCGKSA-N -1 3 379.336 0.981 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1cnn2cccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901078 598895331 /nfs/dbraw/zinc/89/53/31/598895331.db2.gz IAHHICRFFHXELT-ZDUSSCGKSA-N -1 3 379.336 0.981 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CCCN(C(C)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897444 598895728 /nfs/dbraw/zinc/89/57/28/598895728.db2.gz MKMFZYKJQQNZCU-GJZGRUSLSA-N -1 3 387.396 0.883 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CCCN(C(C)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897444 598895729 /nfs/dbraw/zinc/89/57/29/598895729.db2.gz MKMFZYKJQQNZCU-GJZGRUSLSA-N -1 3 387.396 0.883 20 0 GCADHM CN(CCN1CCOCC1)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736799171 598897459 /nfs/dbraw/zinc/89/74/59/598897459.db2.gz OPORWHCZKIATHG-UHFFFAOYSA-N -1 3 379.852 0.723 20 0 GCADHM CN(CCN1CCOCC1)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736799171 598897460 /nfs/dbraw/zinc/89/74/60/598897460.db2.gz OPORWHCZKIATHG-UHFFFAOYSA-N -1 3 379.852 0.723 20 0 GCADHM Cc1oc(NC(=O)CN2CCC[C@@H](CS(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000737552338 598898307 /nfs/dbraw/zinc/89/83/07/598898307.db2.gz NKWCOONUWHLEOT-LLVKDONJSA-N -1 3 397.461 0.016 20 0 GCADHM Cc1oc(NC(=O)CN2CCC[C@@H](CS(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000737552338 598898310 /nfs/dbraw/zinc/89/83/10/598898310.db2.gz NKWCOONUWHLEOT-LLVKDONJSA-N -1 3 397.461 0.016 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1ccccn1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736156029 598901823 /nfs/dbraw/zinc/90/18/23/598901823.db2.gz RUFPOVNXBIEGFR-NSHDSACASA-N -1 3 395.379 0.562 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1ccccn1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736156029 598901825 /nfs/dbraw/zinc/90/18/25/598901825.db2.gz RUFPOVNXBIEGFR-NSHDSACASA-N -1 3 395.379 0.562 20 0 GCADHM COC(=O)[C@H](OC(=O)COC1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900678 598902238 /nfs/dbraw/zinc/90/22/38/598902238.db2.gz TXSGWBDEZPMVFB-OAHLLOKOSA-N -1 3 376.369 0.820 20 0 GCADHM COC(=O)[C@H](OC(=O)COC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900678 598902239 /nfs/dbraw/zinc/90/22/39/598902239.db2.gz TXSGWBDEZPMVFB-OAHLLOKOSA-N -1 3 376.369 0.820 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1cccs1 ZINC000736140759 598906580 /nfs/dbraw/zinc/90/65/80/598906580.db2.gz BJNJQIQDUKDOLS-MRXNPFEDSA-N -1 3 388.457 0.942 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1cccs1 ZINC000736140759 598906581 /nfs/dbraw/zinc/90/65/81/598906581.db2.gz BJNJQIQDUKDOLS-MRXNPFEDSA-N -1 3 388.457 0.942 20 0 GCADHM COC[C@@H](CCO)NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736978712 598906888 /nfs/dbraw/zinc/90/68/88/598906888.db2.gz RBQZNIXKHSXWPP-CYBMUJFWSA-N -1 3 380.474 0.797 20 0 GCADHM COC[C@@H](CCO)NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736978712 598906890 /nfs/dbraw/zinc/90/68/90/598906890.db2.gz RBQZNIXKHSXWPP-CYBMUJFWSA-N -1 3 380.474 0.797 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)n1C ZINC000737519670 598907110 /nfs/dbraw/zinc/90/71/10/598907110.db2.gz CIBILEAGTPHXPF-UHFFFAOYSA-N -1 3 396.459 0.331 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)n1C ZINC000737519670 598907112 /nfs/dbraw/zinc/90/71/12/598907112.db2.gz CIBILEAGTPHXPF-UHFFFAOYSA-N -1 3 396.459 0.331 20 0 GCADHM CC(C)CCn1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC000735819082 598910332 /nfs/dbraw/zinc/91/03/32/598910332.db2.gz RIWTWJHGLYOPOS-UHFFFAOYSA-N -1 3 396.459 0.862 20 0 GCADHM CC(C)CCn1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC000735819082 598910334 /nfs/dbraw/zinc/91/03/34/598910334.db2.gz RIWTWJHGLYOPOS-UHFFFAOYSA-N -1 3 396.459 0.862 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000737778074 598913232 /nfs/dbraw/zinc/91/32/32/598913232.db2.gz WIYGYHQWYFCVBB-GFCCVEGCSA-N -1 3 390.411 0.645 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)cc1 ZINC000737778074 598913235 /nfs/dbraw/zinc/91/32/35/598913235.db2.gz WIYGYHQWYFCVBB-GFCCVEGCSA-N -1 3 390.411 0.645 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)CCN2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000737548416 598916204 /nfs/dbraw/zinc/91/62/04/598916204.db2.gz QAUJHXYLABDASL-LBPRGKRZSA-N -1 3 377.449 0.668 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)CCN2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000737548416 598916206 /nfs/dbraw/zinc/91/62/06/598916206.db2.gz QAUJHXYLABDASL-LBPRGKRZSA-N -1 3 377.449 0.668 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735874997 598927501 /nfs/dbraw/zinc/92/75/01/598927501.db2.gz JAYLRWFUAFPMRZ-HOTGVXAUSA-N -1 3 383.456 0.961 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000736590524 598929700 /nfs/dbraw/zinc/92/97/00/598929700.db2.gz IWKWRSUVQCJJDT-GFCCVEGCSA-N -1 3 389.412 0.551 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000736590524 598929702 /nfs/dbraw/zinc/92/97/02/598929702.db2.gz IWKWRSUVQCJJDT-GFCCVEGCSA-N -1 3 389.412 0.551 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)Cc2ccon2)nn1-c1ccccc1 ZINC000737769141 598931237 /nfs/dbraw/zinc/93/12/37/598931237.db2.gz FXRQNBVUOOTVAH-UHFFFAOYSA-N -1 3 393.411 0.914 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)Cc2ccon2)nn1-c1ccccc1 ZINC000737769141 598931239 /nfs/dbraw/zinc/93/12/39/598931239.db2.gz FXRQNBVUOOTVAH-UHFFFAOYSA-N -1 3 393.411 0.914 20 0 GCADHM Cc1nc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737481575 598932333 /nfs/dbraw/zinc/93/23/33/598932333.db2.gz ZQTVDHFNRGXILN-SNVBAGLBSA-N -1 3 397.443 0.667 20 0 GCADHM Cc1ncc(Cl)c(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000737491847 598932587 /nfs/dbraw/zinc/93/25/87/598932587.db2.gz OCARFSOORDNNBN-UHFFFAOYSA-N -1 3 385.819 0.976 20 0 GCADHM Cc1ncc(Cl)c(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000737491847 598932588 /nfs/dbraw/zinc/93/25/88/598932588.db2.gz OCARFSOORDNNBN-UHFFFAOYSA-N -1 3 385.819 0.976 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1=O ZINC000735874425 598934305 /nfs/dbraw/zinc/93/43/05/598934305.db2.gz DOGPGFYDZQBMOO-AWEZNQCLSA-N -1 3 395.427 0.374 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1=O ZINC000735874425 598934307 /nfs/dbraw/zinc/93/43/07/598934307.db2.gz DOGPGFYDZQBMOO-AWEZNQCLSA-N -1 3 395.427 0.374 20 0 GCADHM c1cn(-c2cc(N3CCN(c4ncccc4-c4nnn[n-]4)CC3)ncn2)cn1 ZINC000738446315 598935413 /nfs/dbraw/zinc/93/54/13/598935413.db2.gz VGZIBFOZCYIEHH-UHFFFAOYSA-N -1 3 375.400 0.564 20 0 GCADHM c1cn(-c2cc(N3CCN(c4ncccc4-c4nn[n-]n4)CC3)ncn2)cn1 ZINC000738446315 598935415 /nfs/dbraw/zinc/93/54/15/598935415.db2.gz VGZIBFOZCYIEHH-UHFFFAOYSA-N -1 3 375.400 0.564 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCCOC[C@@H]1CCOC1 ZINC000737022940 598941358 /nfs/dbraw/zinc/94/13/58/598941358.db2.gz FXAOCMMUFWJFES-ZDUSSCGKSA-N -1 3 391.428 0.814 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCCOC[C@@H]1CCOC1 ZINC000737022940 598941360 /nfs/dbraw/zinc/94/13/60/598941360.db2.gz FXAOCMMUFWJFES-ZDUSSCGKSA-N -1 3 391.428 0.814 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737160609 598943945 /nfs/dbraw/zinc/94/39/45/598943945.db2.gz AKVZHSIKSAQJMT-OCCSQVGLSA-N -1 3 379.442 0.718 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737160609 598943947 /nfs/dbraw/zinc/94/39/47/598943947.db2.gz AKVZHSIKSAQJMT-OCCSQVGLSA-N -1 3 379.442 0.718 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737162809 598943991 /nfs/dbraw/zinc/94/39/91/598943991.db2.gz RVDRXYKPQPEVHW-OCCSQVGLSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@@H](O)C[C@@H](C)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736146190 598952710 /nfs/dbraw/zinc/95/27/10/598952710.db2.gz YLIZDEUDGRURJX-VXGBXAGGSA-N -1 3 381.458 0.305 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(N2CCNC2=O)CC1 ZINC000737296598 598952972 /nfs/dbraw/zinc/95/29/72/598952972.db2.gz MAUYLUNHEJYKBY-UHFFFAOYSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(N2CCNC2=O)CC1 ZINC000737296598 598952975 /nfs/dbraw/zinc/95/29/75/598952975.db2.gz MAUYLUNHEJYKBY-UHFFFAOYSA-N -1 3 391.457 0.353 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737162319 598953586 /nfs/dbraw/zinc/95/35/86/598953586.db2.gz OZOPEJSDUZULJQ-ZIAGYGMSSA-N -1 3 378.458 0.751 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000735474281 598955133 /nfs/dbraw/zinc/95/51/33/598955133.db2.gz IDQDOENGXKJNJM-UHFFFAOYSA-N -1 3 378.458 0.901 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000735474281 598955135 /nfs/dbraw/zinc/95/51/35/598955135.db2.gz IDQDOENGXKJNJM-UHFFFAOYSA-N -1 3 378.458 0.901 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000737296262 598956219 /nfs/dbraw/zinc/95/62/19/598956219.db2.gz HNMIZSAHDJOVBB-GFCCVEGCSA-N -1 3 378.458 0.841 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000737296262 598956221 /nfs/dbraw/zinc/95/62/21/598956221.db2.gz HNMIZSAHDJOVBB-GFCCVEGCSA-N -1 3 378.458 0.841 20 0 GCADHM c1cn(-c2cc(N3CCN(c4cc(-c5nnn[n-]5)ccn4)CC3)ncn2)cn1 ZINC000738446076 598957669 /nfs/dbraw/zinc/95/76/69/598957669.db2.gz RLDUITJELDCFOF-UHFFFAOYSA-N -1 3 375.400 0.564 20 0 GCADHM c1cn(-c2cc(N3CCN(c4cc(-c5nn[n-]n5)ccn4)CC3)ncn2)cn1 ZINC000738446076 598957671 /nfs/dbraw/zinc/95/76/71/598957671.db2.gz RLDUITJELDCFOF-UHFFFAOYSA-N -1 3 375.400 0.564 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 ZINC000737297648 598958181 /nfs/dbraw/zinc/95/81/81/598958181.db2.gz XXLYZUCUCFHGNU-UHFFFAOYSA-N -1 3 386.437 0.851 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 ZINC000737297648 598958182 /nfs/dbraw/zinc/95/81/82/598958182.db2.gz XXLYZUCUCFHGNU-UHFFFAOYSA-N -1 3 386.437 0.851 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736746150 598959855 /nfs/dbraw/zinc/95/98/55/598959855.db2.gz KVRZULPKAYARDL-STQMWFEESA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736746150 598959856 /nfs/dbraw/zinc/95/98/56/598959856.db2.gz KVRZULPKAYARDL-STQMWFEESA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736746147 598959913 /nfs/dbraw/zinc/95/99/13/598959913.db2.gz KVRZULPKAYARDL-QWHCGFSZSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736746147 598959914 /nfs/dbraw/zinc/95/99/14/598959914.db2.gz KVRZULPKAYARDL-QWHCGFSZSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736746139 598959933 /nfs/dbraw/zinc/95/99/33/598959933.db2.gz KVRZULPKAYARDL-CHWSQXEVSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736746139 598959934 /nfs/dbraw/zinc/95/99/34/598959934.db2.gz KVRZULPKAYARDL-CHWSQXEVSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736136560 598960948 /nfs/dbraw/zinc/96/09/48/598960948.db2.gz GLPLKTSXHZOOTI-NSHDSACASA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H](Nc1ccn(CC(=O)N(C)C)n1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736136560 598960950 /nfs/dbraw/zinc/96/09/50/598960950.db2.gz GLPLKTSXHZOOTI-NSHDSACASA-N -1 3 383.416 0.591 20 0 GCADHM CN(C)C(=O)Cc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736746501 598962563 /nfs/dbraw/zinc/96/25/63/598962563.db2.gz JULZWUWRSUWWSC-ZDUSSCGKSA-N -1 3 381.444 0.848 20 0 GCADHM CN(C)C(=O)Cc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736746501 598962564 /nfs/dbraw/zinc/96/25/64/598962564.db2.gz JULZWUWRSUWWSC-ZDUSSCGKSA-N -1 3 381.444 0.848 20 0 GCADHM COc1cc(CCNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)ccc1O ZINC000737044789 598966876 /nfs/dbraw/zinc/96/68/76/598966876.db2.gz SHPNCWQLGKPNIQ-UHFFFAOYSA-N -1 3 398.427 0.930 20 0 GCADHM COc1cc(CCNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)ccc1O ZINC000737044789 598966877 /nfs/dbraw/zinc/96/68/77/598966877.db2.gz SHPNCWQLGKPNIQ-UHFFFAOYSA-N -1 3 398.427 0.930 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1nc(CO)n(C)c1=S ZINC000821690551 607255462 /nfs/dbraw/zinc/25/54/62/607255462.db2.gz PRZJURAQMYYQNW-UHFFFAOYSA-N -1 3 390.473 0.730 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1nc(CO)n(C)c1=S ZINC000821690551 607255463 /nfs/dbraw/zinc/25/54/63/607255463.db2.gz PRZJURAQMYYQNW-UHFFFAOYSA-N -1 3 390.473 0.730 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000736150587 598963887 /nfs/dbraw/zinc/96/38/87/598963887.db2.gz JUXHHEMDDXWBBB-XQQFMLRXSA-N -1 3 389.412 0.861 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000736150587 598963888 /nfs/dbraw/zinc/96/38/88/598963888.db2.gz JUXHHEMDDXWBBB-XQQFMLRXSA-N -1 3 389.412 0.861 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC000735874828 598967920 /nfs/dbraw/zinc/96/79/20/598967920.db2.gz HJCVYMJJAGAIPS-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC000735874828 598967921 /nfs/dbraw/zinc/96/79/21/598967921.db2.gz HJCVYMJJAGAIPS-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000737289056 598968179 /nfs/dbraw/zinc/96/81/79/598968179.db2.gz NYZVNTDWXDVVRO-ZIAGYGMSSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000737289056 598968181 /nfs/dbraw/zinc/96/81/81/598968181.db2.gz NYZVNTDWXDVVRO-ZIAGYGMSSA-N -1 3 399.455 0.877 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736748942 598968273 /nfs/dbraw/zinc/96/82/73/598968273.db2.gz ZVJVSOCAUPEYEQ-TZMCWYRMSA-N -1 3 385.428 0.568 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736748942 598968275 /nfs/dbraw/zinc/96/82/75/598968275.db2.gz ZVJVSOCAUPEYEQ-TZMCWYRMSA-N -1 3 385.428 0.568 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCC(=O)Nc1cccnc1 ZINC000737298081 598968322 /nfs/dbraw/zinc/96/83/22/598968322.db2.gz NTCAQUOEGOCSRJ-UHFFFAOYSA-N -1 3 387.425 0.877 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCC(=O)Nc1cccnc1 ZINC000737298081 598968324 /nfs/dbraw/zinc/96/83/24/598968324.db2.gz NTCAQUOEGOCSRJ-UHFFFAOYSA-N -1 3 387.425 0.877 20 0 GCADHM CC[C@@H](C)[C@H](O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736328857 598972636 /nfs/dbraw/zinc/97/26/36/598972636.db2.gz IINUEESGQGMIRB-IUODEOHRSA-N -1 3 388.476 0.937 20 0 GCADHM CC[C@@H](C)[C@H](O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736328857 598972638 /nfs/dbraw/zinc/97/26/38/598972638.db2.gz IINUEESGQGMIRB-IUODEOHRSA-N -1 3 388.476 0.937 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000736704843 598973071 /nfs/dbraw/zinc/97/30/71/598973071.db2.gz CIAUMZJOUAAIIZ-LBPRGKRZSA-N -1 3 397.447 0.142 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000736704843 598973073 /nfs/dbraw/zinc/97/30/73/598973073.db2.gz CIAUMZJOUAAIIZ-LBPRGKRZSA-N -1 3 397.447 0.142 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)CC2 ZINC000736706175 598973197 /nfs/dbraw/zinc/97/31/97/598973197.db2.gz RIVUJPOBNYLBAW-LLVKDONJSA-N -1 3 397.447 0.142 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)CC2 ZINC000736706175 598973198 /nfs/dbraw/zinc/97/31/98/598973198.db2.gz RIVUJPOBNYLBAW-LLVKDONJSA-N -1 3 397.447 0.142 20 0 GCADHM O=C(NCCn1cccn1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738094802 598974029 /nfs/dbraw/zinc/97/40/29/598974029.db2.gz KOOXUKBEQHFQTR-UHFFFAOYSA-N -1 3 381.444 0.591 20 0 GCADHM COC[C@]1(C)NC(=O)N(CCOc2ccc(-c3nnn[n-]3)cc2OC)C1=O ZINC000736977318 598979349 /nfs/dbraw/zinc/97/93/49/598979349.db2.gz KOULYPIORGOHGA-INIZCTEOSA-N -1 3 376.373 0.211 20 0 GCADHM COC[C@]1(C)NC(=O)N(CCOc2ccc(-c3nn[n-]n3)cc2OC)C1=O ZINC000736977318 598979352 /nfs/dbraw/zinc/97/93/52/598979352.db2.gz KOULYPIORGOHGA-INIZCTEOSA-N -1 3 376.373 0.211 20 0 GCADHM O=C(COc1ccc(C(=O)NCCO)cc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737918815 598979709 /nfs/dbraw/zinc/97/97/09/598979709.db2.gz MNPNDPPLUMVUOQ-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM O=C(COc1ccc(C(=O)NCCO)cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737918815 598979710 /nfs/dbraw/zinc/97/97/10/598979710.db2.gz MNPNDPPLUMVUOQ-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM O=C(COc1ccc(C(=O)NCCO)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737919227 598979904 /nfs/dbraw/zinc/97/99/04/598979904.db2.gz QVPXXBKPDGFVNX-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM O=C(COc1ccc(C(=O)NCCO)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737919227 598979905 /nfs/dbraw/zinc/97/99/05/598979905.db2.gz QVPXXBKPDGFVNX-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000737033789 598986351 /nfs/dbraw/zinc/98/63/51/598986351.db2.gz YYDNGURKYBOPPO-CQSZACIVSA-N -1 3 393.469 0.906 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000737033789 598986353 /nfs/dbraw/zinc/98/63/53/598986353.db2.gz YYDNGURKYBOPPO-CQSZACIVSA-N -1 3 393.469 0.906 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000735562070 598992302 /nfs/dbraw/zinc/99/23/02/598992302.db2.gz NDTCOVBJMKYIFP-NWDGAFQWSA-N -1 3 378.458 0.560 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000735562070 598992303 /nfs/dbraw/zinc/99/23/03/598992303.db2.gz NDTCOVBJMKYIFP-NWDGAFQWSA-N -1 3 378.458 0.560 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000736901038 598993493 /nfs/dbraw/zinc/99/34/93/598993493.db2.gz HPZJKZKAZLATMR-RISCZKNCSA-N -1 3 379.442 0.447 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000736901038 598993495 /nfs/dbraw/zinc/99/34/95/598993495.db2.gz HPZJKZKAZLATMR-RISCZKNCSA-N -1 3 379.442 0.447 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736791009 598993543 /nfs/dbraw/zinc/99/35/43/598993543.db2.gz KSJRPCBBAKSMIG-WFASDCNBSA-N -1 3 390.469 0.339 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736791009 598993545 /nfs/dbraw/zinc/99/35/45/598993545.db2.gz KSJRPCBBAKSMIG-WFASDCNBSA-N -1 3 390.469 0.339 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)Oc1cccc(-n2cnnn2)c1 ZINC000737225335 598996987 /nfs/dbraw/zinc/99/69/87/598996987.db2.gz BWIKRDAADUADAJ-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)Oc1cccc(-n2cnnn2)c1 ZINC000737225335 598996988 /nfs/dbraw/zinc/99/69/88/598996988.db2.gz BWIKRDAADUADAJ-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736594160 598997484 /nfs/dbraw/zinc/99/74/84/598997484.db2.gz OGCABGAZFSCGEF-LBPRGKRZSA-N -1 3 397.482 0.844 20 0 GCADHM CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736594160 598997485 /nfs/dbraw/zinc/99/74/85/598997485.db2.gz OGCABGAZFSCGEF-LBPRGKRZSA-N -1 3 397.482 0.844 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCNC(=O)c1cccs1 ZINC000737223584 598998929 /nfs/dbraw/zinc/99/89/29/598998929.db2.gz IUHUAISKGBXMJI-UHFFFAOYSA-N -1 3 392.466 0.945 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCNC(=O)c1cccs1 ZINC000737223584 598998931 /nfs/dbraw/zinc/99/89/31/598998931.db2.gz IUHUAISKGBXMJI-UHFFFAOYSA-N -1 3 392.466 0.945 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCNC(=O)OC(C)(C)C ZINC000737223179 599001763 /nfs/dbraw/zinc/00/17/63/599001763.db2.gz BMEOJVXTLGSFQU-UHFFFAOYSA-N -1 3 382.446 0.978 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCNC(=O)OC(C)(C)C ZINC000737223179 599001764 /nfs/dbraw/zinc/00/17/64/599001764.db2.gz BMEOJVXTLGSFQU-UHFFFAOYSA-N -1 3 382.446 0.978 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000737221237 599002170 /nfs/dbraw/zinc/00/21/70/599002170.db2.gz KHLRNUJAGLASCW-CYBMUJFWSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000737221237 599002171 /nfs/dbraw/zinc/00/21/71/599002171.db2.gz KHLRNUJAGLASCW-CYBMUJFWSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000737221241 599002252 /nfs/dbraw/zinc/00/22/52/599002252.db2.gz KHLRNUJAGLASCW-ZDUSSCGKSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000737221241 599002254 /nfs/dbraw/zinc/00/22/54/599002254.db2.gz KHLRNUJAGLASCW-ZDUSSCGKSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000737220102 599003299 /nfs/dbraw/zinc/00/32/99/599003299.db2.gz BJXXCYNROBSJMD-GFCCVEGCSA-N -1 3 378.458 0.841 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000737220102 599003301 /nfs/dbraw/zinc/00/33/01/599003301.db2.gz BJXXCYNROBSJMD-GFCCVEGCSA-N -1 3 378.458 0.841 20 0 GCADHM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736508899 599004346 /nfs/dbraw/zinc/00/43/46/599004346.db2.gz PRSWNTBZHPWNAC-NSHDSACASA-N -1 3 387.487 0.619 20 0 GCADHM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736508899 599004348 /nfs/dbraw/zinc/00/43/48/599004348.db2.gz PRSWNTBZHPWNAC-NSHDSACASA-N -1 3 387.487 0.619 20 0 GCADHM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736508897 599004551 /nfs/dbraw/zinc/00/45/51/599004551.db2.gz PRSWNTBZHPWNAC-LLVKDONJSA-N -1 3 387.487 0.619 20 0 GCADHM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736508897 599004553 /nfs/dbraw/zinc/00/45/53/599004553.db2.gz PRSWNTBZHPWNAC-LLVKDONJSA-N -1 3 387.487 0.619 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C[C@H]1C ZINC000737003333 599006584 /nfs/dbraw/zinc/00/65/84/599006584.db2.gz GKKYCTMLCNVTNV-CYBMUJFWSA-N -1 3 380.474 0.516 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C[C@H]1C ZINC000737003333 599006585 /nfs/dbraw/zinc/00/65/85/599006585.db2.gz GKKYCTMLCNVTNV-CYBMUJFWSA-N -1 3 380.474 0.516 20 0 GCADHM COCCOC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000737006519 599007022 /nfs/dbraw/zinc/00/70/22/599007022.db2.gz RDKJPRDLZSKMAT-UHFFFAOYSA-N -1 3 381.458 0.991 20 0 GCADHM COCCOC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000737006519 599007024 /nfs/dbraw/zinc/00/70/24/599007024.db2.gz RDKJPRDLZSKMAT-UHFFFAOYSA-N -1 3 381.458 0.991 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737161448 599010432 /nfs/dbraw/zinc/01/04/32/599010432.db2.gz KCEMUYRZAWOBEO-YPMHNXCESA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737161448 599010434 /nfs/dbraw/zinc/01/04/34/599010434.db2.gz KCEMUYRZAWOBEO-YPMHNXCESA-N -1 3 385.471 0.501 20 0 GCADHM CC(C)(C)N1C[C@@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000735617819 599014802 /nfs/dbraw/zinc/01/48/02/599014802.db2.gz ARRZPPWCZKVCMN-GXTWGEPZSA-N -1 3 386.412 0.583 20 0 GCADHM CC(C)(C)N1C[C@@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735617819 599014804 /nfs/dbraw/zinc/01/48/04/599014804.db2.gz ARRZPPWCZKVCMN-GXTWGEPZSA-N -1 3 386.412 0.583 20 0 GCADHM C[C@@](O)(CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000736142399 599014880 /nfs/dbraw/zinc/01/48/80/599014880.db2.gz NRMUJWZFPPMWSN-QGZVFWFLSA-N -1 3 386.437 0.682 20 0 GCADHM C[C@@](O)(CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000736142399 599014882 /nfs/dbraw/zinc/01/48/82/599014882.db2.gz NRMUJWZFPPMWSN-QGZVFWFLSA-N -1 3 386.437 0.682 20 0 GCADHM NC(=O)[C@@H](Sc1nnc(C(F)(F)F)n1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737627 599012314 /nfs/dbraw/zinc/01/23/14/599012314.db2.gz BGDLJBDQNUVGFA-ZETCQYMHSA-N -1 3 385.335 0.510 20 0 GCADHM NC(=O)[C@@H](Sc1nnc(C(F)(F)F)n1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737627 599012316 /nfs/dbraw/zinc/01/23/16/599012316.db2.gz BGDLJBDQNUVGFA-ZETCQYMHSA-N -1 3 385.335 0.510 20 0 GCADHM NC(=O)[C@H](Sc1nnnn1Cc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737636 599013357 /nfs/dbraw/zinc/01/33/57/599013357.db2.gz BOSOOXWCHPHYGI-GFCCVEGCSA-N -1 3 383.397 0.813 20 0 GCADHM 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JDXJYCHUTCQEJK-QGZVFWFLSA-N -1 3 391.435 0.851 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000737738430 599066260 /nfs/dbraw/zinc/06/62/60/599066260.db2.gz JDXJYCHUTCQEJK-QGZVFWFLSA-N -1 3 391.435 0.851 20 0 GCADHM CNC(=O)c1ccc(CN(C)[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736877207 599068391 /nfs/dbraw/zinc/06/83/91/599068391.db2.gz IWCBCMAPRXGWSK-INIZCTEOSA-N -1 3 379.424 0.885 20 0 GCADHM CNC(=O)c1ccc(CN(C)[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736877207 599068394 /nfs/dbraw/zinc/06/83/94/599068394.db2.gz IWCBCMAPRXGWSK-INIZCTEOSA-N -1 3 379.424 0.885 20 0 GCADHM Cc1noc(C)c1CN1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737539049 599071348 /nfs/dbraw/zinc/07/13/48/599071348.db2.gz XZYHQYAICFBPOV-QGZVFWFLSA-N -1 3 396.455 0.816 20 0 GCADHM Cc1noc(C)c1CN1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737539049 599071351 /nfs/dbraw/zinc/07/13/51/599071351.db2.gz XZYHQYAICFBPOV-QGZVFWFLSA-N -1 3 396.455 0.816 20 0 GCADHM CC(C)c1nc([C@H]2CN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)no1 ZINC000735939960 599071583 /nfs/dbraw/zinc/07/15/83/599071583.db2.gz MPCMVTUIAYNTCI-KGLIPLIRSA-N -1 3 398.427 0.973 20 0 GCADHM CC(C)c1nc([C@H]2CN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)no1 ZINC000735939960 599071585 /nfs/dbraw/zinc/07/15/85/599071585.db2.gz MPCMVTUIAYNTCI-KGLIPLIRSA-N -1 3 398.427 0.973 20 0 GCADHM CC(C)c1nc([C@@H]2CN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)no1 ZINC000735939961 599071647 /nfs/dbraw/zinc/07/16/47/599071647.db2.gz MPCMVTUIAYNTCI-UONOGXRCSA-N -1 3 398.427 0.973 20 0 GCADHM CC(C)c1nc([C@@H]2CN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)no1 ZINC000735939961 599071649 /nfs/dbraw/zinc/07/16/49/599071649.db2.gz MPCMVTUIAYNTCI-UONOGXRCSA-N -1 3 398.427 0.973 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735943532 599074389 /nfs/dbraw/zinc/07/43/89/599074389.db2.gz TZQPZXOXAHUAKP-DZGCQCFKSA-N -1 3 381.444 0.713 20 0 GCADHM CN(C)c1cc2c(nn1)CCN([C@@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000736774242 599074612 /nfs/dbraw/zinc/07/46/12/599074612.db2.gz SSFYZQJLSUPVEB-MRXNPFEDSA-N -1 3 379.428 0.307 20 0 GCADHM CN(C)c1cc2c(nn1)CCN([C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000736774242 599074615 /nfs/dbraw/zinc/07/46/15/599074615.db2.gz SSFYZQJLSUPVEB-MRXNPFEDSA-N -1 3 379.428 0.307 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](N[C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735943533 599075114 /nfs/dbraw/zinc/07/51/14/599075114.db2.gz TZQPZXOXAHUAKP-HIFRSBDPSA-N -1 3 381.444 0.713 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCCN(c2cccnn2)CC1 ZINC000737738823 599075654 /nfs/dbraw/zinc/07/56/54/599075654.db2.gz MOBRZSDDRNOAHH-INIZCTEOSA-N -1 3 379.428 0.395 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823566731 599084008 /nfs/dbraw/zinc/08/40/08/599084008.db2.gz KYFMCZPNCZBDMK-UHFFFAOYSA-N -1 3 393.404 0.646 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823566731 599084012 /nfs/dbraw/zinc/08/40/12/599084012.db2.gz KYFMCZPNCZBDMK-UHFFFAOYSA-N -1 3 393.404 0.646 20 0 GCADHM COCCOC[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821691756 599084908 /nfs/dbraw/zinc/08/49/08/599084908.db2.gz CMEIFQRTTBDHTM-LLVKDONJSA-N -1 3 382.446 0.003 20 0 GCADHM COCCOC[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821691756 599084910 /nfs/dbraw/zinc/08/49/10/599084910.db2.gz CMEIFQRTTBDHTM-LLVKDONJSA-N -1 3 382.446 0.003 20 0 GCADHM NC(=O)[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737731375 599087553 /nfs/dbraw/zinc/08/75/53/599087553.db2.gz RJPQQBJWFWXPAH-HNNXBMFYSA-N -1 3 387.350 0.900 20 0 GCADHM NC(=O)[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737731375 599087555 /nfs/dbraw/zinc/08/75/55/599087555.db2.gz RJPQQBJWFWXPAH-HNNXBMFYSA-N -1 3 387.350 0.900 20 0 GCADHM CN(C)C(=O)COc1ccc(N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736746460 599089121 /nfs/dbraw/zinc/08/91/21/599089121.db2.gz ITSANAGILFVUIV-KRWDZBQOSA-N -1 3 395.423 0.972 20 0 GCADHM CN(C)C(=O)COc1ccc(N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736746460 599089122 /nfs/dbraw/zinc/08/91/22/599089122.db2.gz ITSANAGILFVUIV-KRWDZBQOSA-N -1 3 395.423 0.972 20 0 GCADHM COC(=O)c1cc(CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000736942092 599089640 /nfs/dbraw/zinc/08/96/40/599089640.db2.gz YYKRBTDTZZSYEV-INIZCTEOSA-N -1 3 396.407 0.978 20 0 GCADHM COC(=O)c1cc(CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000736942092 599089643 /nfs/dbraw/zinc/08/96/43/599089643.db2.gz YYKRBTDTZZSYEV-INIZCTEOSA-N -1 3 396.407 0.978 20 0 GCADHM NC(=O)[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739286 599090463 /nfs/dbraw/zinc/09/04/63/599090463.db2.gz XTHYBXVLUBUYKD-KRWDZBQOSA-N -1 3 389.423 0.823 20 0 GCADHM CS(=O)(=O)CCOCCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737162495 599091450 /nfs/dbraw/zinc/09/14/50/599091450.db2.gz LNANAUJCNIEMHY-UHFFFAOYSA-N -1 3 385.471 0.136 20 0 GCADHM CS(=O)(=O)CCOCCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737162495 599091453 /nfs/dbraw/zinc/09/14/53/599091453.db2.gz LNANAUJCNIEMHY-UHFFFAOYSA-N -1 3 385.471 0.136 20 0 GCADHM CS(=O)(=O)c1ccc(CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737173698 599091745 /nfs/dbraw/zinc/09/17/45/599091745.db2.gz MDAMRFNBVMHROU-OAHLLOKOSA-N -1 3 386.437 0.586 20 0 GCADHM CS(=O)(=O)c1ccc(CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737173698 599091748 /nfs/dbraw/zinc/09/17/48/599091748.db2.gz MDAMRFNBVMHROU-OAHLLOKOSA-N -1 3 386.437 0.586 20 0 GCADHM CNC(=O)COc1cccc(CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736873193 599093571 /nfs/dbraw/zinc/09/35/71/599093571.db2.gz GYZMYMCVEUBZAB-QGZVFWFLSA-N -1 3 395.423 0.308 20 0 GCADHM CNC(=O)COc1cccc(CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736873193 599093572 /nfs/dbraw/zinc/09/35/72/599093572.db2.gz GYZMYMCVEUBZAB-QGZVFWFLSA-N -1 3 395.423 0.308 20 0 GCADHM NC(=O)[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729687 599096003 /nfs/dbraw/zinc/09/60/03/599096003.db2.gz BMPPJVCYLJUQHE-PBHICJAKSA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@@H](N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729687 599096005 /nfs/dbraw/zinc/09/60/05/599096005.db2.gz BMPPJVCYLJUQHE-PBHICJAKSA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737732255 599098081 /nfs/dbraw/zinc/09/80/81/599098081.db2.gz XLMHFSGMKBQIGY-CVEARBPZSA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737732255 599098084 /nfs/dbraw/zinc/09/80/84/599098084.db2.gz XLMHFSGMKBQIGY-CVEARBPZSA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@@H](NCC(=O)N1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737730255 599098207 /nfs/dbraw/zinc/09/82/07/599098207.db2.gz IPVDDCGPBZNBRH-KRWDZBQOSA-N -1 3 377.408 0.572 20 0 GCADHM NC(=O)[C@@H](NCC(=O)N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737730255 599098210 /nfs/dbraw/zinc/09/82/10/599098210.db2.gz IPVDDCGPBZNBRH-KRWDZBQOSA-N -1 3 377.408 0.572 20 0 GCADHM NC(=O)[C@H](NCCN1C(=O)Cc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736720 599099145 /nfs/dbraw/zinc/09/91/45/599099145.db2.gz LKACJSRIZHMBDC-QGZVFWFLSA-N -1 3 377.408 0.572 20 0 GCADHM COC(=O)COc1cccc(CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736930358 599099480 /nfs/dbraw/zinc/09/94/80/599099480.db2.gz CMMNLDRICOCZDE-QGZVFWFLSA-N -1 3 396.407 0.735 20 0 GCADHM COC(=O)COc1cccc(CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736930358 599099482 /nfs/dbraw/zinc/09/94/82/599099482.db2.gz CMMNLDRICOCZDE-QGZVFWFLSA-N -1 3 396.407 0.735 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCc3nn(C)c(=O)cc3C2)c(-c2nnn[n-]2)c1C ZINC000822542191 599103863 /nfs/dbraw/zinc/10/38/63/599103863.db2.gz UUWQREZHCVZFMU-SNVBAGLBSA-N -1 3 398.427 0.556 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccccc1NCCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740547 599111648 /nfs/dbraw/zinc/11/16/48/599111648.db2.gz NPZLMPJDZJOMBS-HNNXBMFYSA-N -1 3 382.380 0.654 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccccc1NCCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740547 599111651 /nfs/dbraw/zinc/11/16/51/599111651.db2.gz NPZLMPJDZJOMBS-HNNXBMFYSA-N -1 3 382.380 0.654 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736919 599116023 /nfs/dbraw/zinc/11/60/23/599116023.db2.gz MYBZDUBSRPWHHZ-OAHLLOKOSA-N -1 3 398.354 0.505 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736919 599116026 /nfs/dbraw/zinc/11/60/26/599116026.db2.gz MYBZDUBSRPWHHZ-OAHLLOKOSA-N -1 3 398.354 0.505 20 0 GCADHM C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000819858157 599117791 /nfs/dbraw/zinc/11/77/91/599117791.db2.gz ZTHBPOMBEAVFNO-LURJTMIESA-N -1 3 381.311 0.847 20 0 GCADHM C[C@@H](C(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000819858157 599117794 /nfs/dbraw/zinc/11/77/94/599117794.db2.gz ZTHBPOMBEAVFNO-LURJTMIESA-N -1 3 381.311 0.847 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000819854086 599118317 /nfs/dbraw/zinc/11/83/17/599118317.db2.gz AIZXYEZIBPPVBI-ONGXEEELSA-N -1 3 383.405 0.463 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000819854086 599118320 /nfs/dbraw/zinc/11/83/20/599118320.db2.gz AIZXYEZIBPPVBI-ONGXEEELSA-N -1 3 383.405 0.463 20 0 GCADHM C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@H](C)O1 ZINC000820735296 599119043 /nfs/dbraw/zinc/11/90/43/599119043.db2.gz RATSRQICKLPEBV-UWVGGRQHSA-N -1 3 383.405 0.415 20 0 GCADHM C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@H](C)O1 ZINC000820735296 599119045 /nfs/dbraw/zinc/11/90/45/599119045.db2.gz RATSRQICKLPEBV-UWVGGRQHSA-N -1 3 383.405 0.415 20 0 GCADHM COC(=O)c1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736948119 599120821 /nfs/dbraw/zinc/12/08/21/599120821.db2.gz KXTSDFSZPPDPIL-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)c1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736948119 599120824 /nfs/dbraw/zinc/12/08/24/599120824.db2.gz KXTSDFSZPPDPIL-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM NC(=O)[C@H](OC(=O)CS(=O)(=O)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737745392 599122211 /nfs/dbraw/zinc/12/22/11/599122211.db2.gz YARMMTUMQSKGFB-CQSZACIVSA-N -1 3 393.425 0.294 20 0 GCADHM NC(=O)[C@H](OC(=O)CS(=O)(=O)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737745392 599122212 /nfs/dbraw/zinc/12/22/12/599122212.db2.gz YARMMTUMQSKGFB-CQSZACIVSA-N -1 3 393.425 0.294 20 0 GCADHM CC(C)(C)n1cc(C(=O)C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000735661054 599122439 /nfs/dbraw/zinc/12/24/39/599122439.db2.gz HQRHGPPPCKAVJY-AWEZNQCLSA-N -1 3 397.395 0.771 20 0 GCADHM CC(C)(C)n1cc(C(=O)C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000735661054 599122441 /nfs/dbraw/zinc/12/24/41/599122441.db2.gz HQRHGPPPCKAVJY-AWEZNQCLSA-N -1 3 397.395 0.771 20 0 GCADHM CCn1nc(C)c(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)c1C ZINC000736731646 599123693 /nfs/dbraw/zinc/12/36/93/599123693.db2.gz PXBRWGOWMIFMOM-UHFFFAOYSA-N -1 3 391.461 0.485 20 0 GCADHM CCn1nc(C)c(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)c1C ZINC000736731646 599123695 /nfs/dbraw/zinc/12/36/95/599123695.db2.gz PXBRWGOWMIFMOM-UHFFFAOYSA-N -1 3 391.461 0.485 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cc2c(cc1O)OCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740571 599124168 /nfs/dbraw/zinc/12/41/68/599124168.db2.gz NRLVUWYFWNRJBD-CQSZACIVSA-N -1 3 383.320 0.684 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cc2c(cc1O)OCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740571 599124170 /nfs/dbraw/zinc/12/41/70/599124170.db2.gz NRLVUWYFWNRJBD-CQSZACIVSA-N -1 3 383.320 0.684 20 0 GCADHM NC(=O)NC1CCC(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737758317 599124298 /nfs/dbraw/zinc/12/42/98/599124298.db2.gz IXTVQGGFIOKZGF-BPCQOVAHSA-N -1 3 387.400 0.163 20 0 GCADHM NC(=O)NC1CCC(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737758317 599124300 /nfs/dbraw/zinc/12/43/00/599124300.db2.gz IXTVQGGFIOKZGF-BPCQOVAHSA-N -1 3 387.400 0.163 20 0 GCADHM Cc1nsc(N2CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000737547035 599124672 /nfs/dbraw/zinc/12/46/72/599124672.db2.gz HQWQLYUTKSXLKM-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1nsc(N2CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000737547035 599124674 /nfs/dbraw/zinc/12/46/74/599124674.db2.gz HQWQLYUTKSXLKM-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738763 599125440 /nfs/dbraw/zinc/12/54/40/599125440.db2.gz IBKMXENNMNQQKK-OAHLLOKOSA-N -1 3 393.363 0.614 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc2c(c1)NC(=O)CN2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738763 599125443 /nfs/dbraw/zinc/12/54/43/599125443.db2.gz IBKMXENNMNQQKK-OAHLLOKOSA-N -1 3 393.363 0.614 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2cnnc2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738671 599125780 /nfs/dbraw/zinc/12/57/80/599125780.db2.gz HATKTYHELVZPHU-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2cnnc2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738671 599125782 /nfs/dbraw/zinc/12/57/82/599125782.db2.gz HATKTYHELVZPHU-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM Cc1ccn2ncc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737437392 599127369 /nfs/dbraw/zinc/12/73/69/599127369.db2.gz VJZYJLKVVDOBLL-ZDUSSCGKSA-N -1 3 378.352 0.601 20 0 GCADHM Cc1ccn2ncc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737437392 599127372 /nfs/dbraw/zinc/12/73/72/599127372.db2.gz VJZYJLKVVDOBLL-ZDUSSCGKSA-N -1 3 378.352 0.601 20 0 GCADHM NC(=O)[C@H](OC(=O)Cn1ncc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739194 599128425 /nfs/dbraw/zinc/12/84/25/599128425.db2.gz JEHWQPMNMKHGRV-MRXNPFEDSA-N -1 3 377.364 0.986 20 0 GCADHM NC(=O)[C@H](OC(=O)Cn1ncc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739194 599128429 /nfs/dbraw/zinc/12/84/29/599128429.db2.gz JEHWQPMNMKHGRV-MRXNPFEDSA-N -1 3 377.364 0.986 20 0 GCADHM CCCn1c(CO)nnc1SCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821143869 607258683 /nfs/dbraw/zinc/25/86/83/607258683.db2.gz ZGKPNEUJMXNARK-UHFFFAOYSA-N -1 3 388.457 0.769 20 0 GCADHM CCCn1c(CO)nnc1SCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821143869 607258684 /nfs/dbraw/zinc/25/86/84/607258684.db2.gz ZGKPNEUJMXNARK-UHFFFAOYSA-N -1 3 388.457 0.769 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737174093 599130500 /nfs/dbraw/zinc/13/05/00/599130500.db2.gz RBJRTXPTRKEUNI-LBPRGKRZSA-N -1 3 391.365 0.247 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737174093 599130502 /nfs/dbraw/zinc/13/05/02/599130502.db2.gz RBJRTXPTRKEUNI-LBPRGKRZSA-N -1 3 391.365 0.247 20 0 GCADHM NC(=O)[C@H](OC(=O)COc1cccc(C=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736705 599130840 /nfs/dbraw/zinc/13/08/40/599130840.db2.gz LDSAKVRNOHEUBM-MRXNPFEDSA-N -1 3 381.348 0.828 20 0 GCADHM NC(=O)[C@H](OC(=O)COc1cccc(C=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736705 599130843 /nfs/dbraw/zinc/13/08/43/599130843.db2.gz LDSAKVRNOHEUBM-MRXNPFEDSA-N -1 3 381.348 0.828 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cn(Cc2cccs2)nn1 ZINC000823205962 599145149 /nfs/dbraw/zinc/14/51/49/599145149.db2.gz DQHFNIQUCOSYDY-UHFFFAOYSA-N -1 3 396.440 0.805 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cn(Cc2cccs2)nn1 ZINC000823205962 599145151 /nfs/dbraw/zinc/14/51/51/599145151.db2.gz DQHFNIQUCOSYDY-UHFFFAOYSA-N -1 3 396.440 0.805 20 0 GCADHM CCOC(=O)C[C@@H](C)S(=O)(=O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736595885 599147816 /nfs/dbraw/zinc/14/78/16/599147816.db2.gz YEDYHCPKDRYWLA-LLVKDONJSA-N -1 3 395.441 0.239 20 0 GCADHM Cn1c(CO)nnc1SCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822596430 607259117 /nfs/dbraw/zinc/25/91/17/607259117.db2.gz JIDBMYOGMSPOBW-UHFFFAOYSA-N -1 3 380.821 0.872 20 0 GCADHM Cn1c(CO)nnc1SCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822596430 607259118 /nfs/dbraw/zinc/25/91/18/607259118.db2.gz JIDBMYOGMSPOBW-UHFFFAOYSA-N -1 3 380.821 0.872 20 0 GCADHM COc1cc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc(NC(C)=O)c1OC ZINC000821703308 599153834 /nfs/dbraw/zinc/15/38/34/599153834.db2.gz YPZXMDRDBIJPMU-UHFFFAOYSA-N -1 3 383.368 0.912 20 0 GCADHM COc1cc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc(NC(C)=O)c1OC ZINC000821703308 599153837 /nfs/dbraw/zinc/15/38/37/599153837.db2.gz YPZXMDRDBIJPMU-UHFFFAOYSA-N -1 3 383.368 0.912 20 0 GCADHM CCOC(=O)C[C@H](C)[S@@](=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736595690 599156432 /nfs/dbraw/zinc/15/64/32/599156432.db2.gz WVTQWBOMPHPNRC-LJZMDLFKSA-N -1 3 379.442 0.573 20 0 GCADHM CCN1CCO[C@@H](CNC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000736568096 599164160 /nfs/dbraw/zinc/16/41/60/599164160.db2.gz IRFYAGWOXBTOHS-ZDUSSCGKSA-N -1 3 376.417 0.091 20 0 GCADHM CCN1CCO[C@H](CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736570166 599164567 /nfs/dbraw/zinc/16/45/67/599164567.db2.gz WLNMRWHBUNWVRT-OAHLLOKOSA-N -1 3 376.486 0.937 20 0 GCADHM Cn1cc([C@@H]2CCN([C@@H]3CC(=O)N(c4ccc(-c5nn[n-]n5)cc4)C3=O)C2)cn1 ZINC000737604778 599181839 /nfs/dbraw/zinc/18/18/39/599181839.db2.gz KMXDXDIHEZFCCJ-CZUORRHYSA-N -1 3 392.423 0.722 20 0 GCADHM Cc1ncc(Cl)c(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737491490 599185262 /nfs/dbraw/zinc/18/52/62/599185262.db2.gz KIFAUOIORCLMAK-UHFFFAOYSA-N -1 3 385.819 0.976 20 0 GCADHM Cc1ncc(Cl)c(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737491490 599185264 /nfs/dbraw/zinc/18/52/64/599185264.db2.gz KIFAUOIORCLMAK-UHFFFAOYSA-N -1 3 385.819 0.976 20 0 GCADHM CNC(=O)c1cccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000736877157 599185312 /nfs/dbraw/zinc/18/53/12/599185312.db2.gz IEXMHNZGEAUCQP-UHFFFAOYSA-N -1 3 392.423 0.584 20 0 GCADHM CNC(=O)c1cccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000736877157 599185314 /nfs/dbraw/zinc/18/53/14/599185314.db2.gz IEXMHNZGEAUCQP-UHFFFAOYSA-N -1 3 392.423 0.584 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@@H]1CCN(C)C1=O ZINC000737033804 599185444 /nfs/dbraw/zinc/18/54/44/599185444.db2.gz UELLTIVQBGXGAB-CYBMUJFWSA-N -1 3 375.385 0.808 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@@H]1CCN(C)C1=O ZINC000737033804 599185445 /nfs/dbraw/zinc/18/54/45/599185445.db2.gz UELLTIVQBGXGAB-CYBMUJFWSA-N -1 3 375.385 0.808 20 0 GCADHM COc1ccccc1[C@@H](CO)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737143606 599189684 /nfs/dbraw/zinc/18/96/84/599189684.db2.gz WYTVXODEBSUASA-CQSZACIVSA-N -1 3 398.427 0.715 20 0 GCADHM COc1ccccc1[C@@H](CO)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737143606 599189686 /nfs/dbraw/zinc/18/96/86/599189686.db2.gz WYTVXODEBSUASA-CQSZACIVSA-N -1 3 398.427 0.715 20 0 GCADHM Cn1cc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c(=O)n(C)c1=O ZINC000737611169 599191989 /nfs/dbraw/zinc/19/19/89/599191989.db2.gz SKAAJHFJMQGYKF-UHFFFAOYSA-N -1 3 387.425 0.136 20 0 GCADHM Cn1cc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c(=O)n(C)c1=O ZINC000737611169 599191991 /nfs/dbraw/zinc/19/19/91/599191991.db2.gz SKAAJHFJMQGYKF-UHFFFAOYSA-N -1 3 387.425 0.136 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822205875 599196295 /nfs/dbraw/zinc/19/62/95/599196295.db2.gz LPQDEFMZKDEOEK-CQSZACIVSA-N -1 3 380.412 0.373 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822205875 599196298 /nfs/dbraw/zinc/19/62/98/599196298.db2.gz LPQDEFMZKDEOEK-CQSZACIVSA-N -1 3 380.412 0.373 20 0 GCADHM CC(=O)NCCCCCC(=O)Nc1nc(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000735473844 599200340 /nfs/dbraw/zinc/20/03/40/599200340.db2.gz JYSKDLYBGCWEPI-UHFFFAOYSA-N -1 3 397.443 0.813 20 0 GCADHM CC(=O)N1CCC(C(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735460824 599200539 /nfs/dbraw/zinc/20/05/39/599200539.db2.gz MMUUCVOVCIXBKE-UHFFFAOYSA-N -1 3 395.427 0.375 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735465245 599200553 /nfs/dbraw/zinc/20/05/53/599200553.db2.gz HOWMHFJDBQMSQZ-CQSZACIVSA-N -1 3 395.427 0.375 20 0 GCADHM CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)cn2)ncn1 ZINC000821637473 599202045 /nfs/dbraw/zinc/20/20/45/599202045.db2.gz HGIQYLMZFSEMCB-LBPRGKRZSA-N -1 3 380.416 0.492 20 0 GCADHM CNc1cc(N2CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)cn2)ncn1 ZINC000821637473 599202047 /nfs/dbraw/zinc/20/20/47/599202047.db2.gz HGIQYLMZFSEMCB-LBPRGKRZSA-N -1 3 380.416 0.492 20 0 GCADHM COCCN(C(=O)CCN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736989067 599202106 /nfs/dbraw/zinc/20/21/06/599202106.db2.gz QHXPICDYMKBLOU-UHFFFAOYSA-N -1 3 394.457 0.272 20 0 GCADHM COCCN(C(=O)CCN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736989067 599202108 /nfs/dbraw/zinc/20/21/08/599202108.db2.gz QHXPICDYMKBLOU-UHFFFAOYSA-N -1 3 394.457 0.272 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737168379 599204137 /nfs/dbraw/zinc/20/41/37/599204137.db2.gz ZTVCBXDLCHOVLB-NSHDSACASA-N -1 3 382.471 0.109 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737168379 599204139 /nfs/dbraw/zinc/20/41/39/599204139.db2.gz ZTVCBXDLCHOVLB-NSHDSACASA-N -1 3 382.471 0.109 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737165468 599204744 /nfs/dbraw/zinc/20/47/44/599204744.db2.gz KQPOOVPBKBNNNM-CYBMUJFWSA-N -1 3 396.498 0.250 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737165468 599204745 /nfs/dbraw/zinc/20/47/45/599204745.db2.gz KQPOOVPBKBNNNM-CYBMUJFWSA-N -1 3 396.498 0.250 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000820666798 599206031 /nfs/dbraw/zinc/20/60/31/599206031.db2.gz KECKWYYNZQYWQV-WNOSKKOXSA-N -1 3 395.467 0.961 20 0 GCADHM O=C(NCc1nnnn1C1CC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823269660 599202682 /nfs/dbraw/zinc/20/26/82/599202682.db2.gz LCQUBNMSKKHGTL-AWEZNQCLSA-N -1 3 380.416 0.473 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657448 599207811 /nfs/dbraw/zinc/20/78/11/599207811.db2.gz LFDOHLWBGYSTHT-BLLLJJGKSA-N -1 3 394.439 0.843 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657448 599207812 /nfs/dbraw/zinc/20/78/12/599207812.db2.gz LFDOHLWBGYSTHT-BLLLJJGKSA-N -1 3 394.439 0.843 20 0 GCADHM C[S@@](=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000737171485 599210828 /nfs/dbraw/zinc/21/08/28/599210828.db2.gz BLHHDUBIIVCADM-HSZRJFAPSA-N -1 3 383.377 0.542 20 0 GCADHM C[S@@](=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737171485 599210831 /nfs/dbraw/zinc/21/08/31/599210831.db2.gz BLHHDUBIIVCADM-HSZRJFAPSA-N -1 3 383.377 0.542 20 0 GCADHM C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)CS2 ZINC000736228131 599213762 /nfs/dbraw/zinc/21/37/62/599213762.db2.gz GJJAPQZHWORCOI-CXAGYDPISA-N -1 3 388.453 0.816 20 0 GCADHM C[C@]12CCC(=O)N1[C@@H](C(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)CS2 ZINC000736228133 599213897 /nfs/dbraw/zinc/21/38/97/599213897.db2.gz GJJAPQZHWORCOI-DYVFJYSZSA-N -1 3 388.453 0.816 20 0 GCADHM CC[S@@](=O)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736666355 599214172 /nfs/dbraw/zinc/21/41/72/599214172.db2.gz RNOOAULZGVGCGH-HHHXNRCGSA-N -1 3 395.464 0.606 20 0 GCADHM CC[S@@](=O)CCNC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736665534 599214301 /nfs/dbraw/zinc/21/43/01/599214301.db2.gz PGIYPKUIWXHRNP-AREMUKBSSA-N -1 3 380.474 0.793 20 0 GCADHM CC[S@@](=O)CCNC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736665534 599214302 /nfs/dbraw/zinc/21/43/02/599214302.db2.gz PGIYPKUIWXHRNP-AREMUKBSSA-N -1 3 380.474 0.793 20 0 GCADHM CC[S@@](=O)CCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736665032 599214612 /nfs/dbraw/zinc/21/46/12/599214612.db2.gz NTPGXBGCQGTLKX-AREMUKBSSA-N -1 3 377.474 0.467 20 0 GCADHM CC[S@@](=O)CCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736665032 599214614 /nfs/dbraw/zinc/21/46/14/599214614.db2.gz NTPGXBGCQGTLKX-AREMUKBSSA-N -1 3 377.474 0.467 20 0 GCADHM C[S@](=O)CCNC(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737172925 599214829 /nfs/dbraw/zinc/21/48/29/599214829.db2.gz LVSSQRFBPZEWSC-MHZLTWQESA-N -1 3 391.501 0.463 20 0 GCADHM CC(C)CS(=O)(=O)CCC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735849360 599215264 /nfs/dbraw/zinc/21/52/64/599215264.db2.gz DZIJSJRCYMIJFQ-UHFFFAOYSA-N -1 3 381.458 0.823 20 0 GCADHM COCCCCCOC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736979390 599215401 /nfs/dbraw/zinc/21/54/01/599215401.db2.gz SDCACPLNNGKINX-UHFFFAOYSA-N -1 3 383.430 0.505 20 0 GCADHM COCCCCCOC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736979390 599215402 /nfs/dbraw/zinc/21/54/02/599215402.db2.gz SDCACPLNNGKINX-UHFFFAOYSA-N -1 3 383.430 0.505 20 0 GCADHM COCCCCCOC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736979727 599215439 /nfs/dbraw/zinc/21/54/39/599215439.db2.gz UNTNOLWNPVHCBX-UHFFFAOYSA-N -1 3 383.430 0.505 20 0 GCADHM COCCCCCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736979727 599215442 /nfs/dbraw/zinc/21/54/42/599215442.db2.gz UNTNOLWNPVHCBX-UHFFFAOYSA-N -1 3 383.430 0.505 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822206875 599215805 /nfs/dbraw/zinc/21/58/05/599215805.db2.gz BRPSNHHSLUUGBL-HNNXBMFYSA-N -1 3 394.439 0.763 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822206875 599215808 /nfs/dbraw/zinc/21/58/08/599215808.db2.gz BRPSNHHSLUUGBL-HNNXBMFYSA-N -1 3 394.439 0.763 20 0 GCADHM COC(=O)CN(C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000821661306 599215825 /nfs/dbraw/zinc/21/58/25/599215825.db2.gz BWBCPCOJIZGVFO-LBPRGKRZSA-N -1 3 389.412 0.815 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736214624 599217459 /nfs/dbraw/zinc/21/74/59/599217459.db2.gz OYGDCLHUWRSNSM-GOSISDBHSA-N -1 3 399.411 0.082 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736633533 599219332 /nfs/dbraw/zinc/21/93/32/599219332.db2.gz CLEYFONCHNHZSG-LLVKDONJSA-N -1 3 395.445 0.421 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736633533 599219335 /nfs/dbraw/zinc/21/93/35/599219335.db2.gz CLEYFONCHNHZSG-LLVKDONJSA-N -1 3 395.445 0.421 20 0 GCADHM CN1C(=O)c2ccc(C(=O)NCCOc3ccc(-c4nn[n-]n4)cc3)cc2C1=O ZINC000736847164 599220460 /nfs/dbraw/zinc/22/04/60/599220460.db2.gz UNOZDIXFLPRGSF-UHFFFAOYSA-N -1 3 392.375 0.901 20 0 GCADHM CN(C)C(=O)N1CCC(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736751886 599220965 /nfs/dbraw/zinc/22/09/65/599220965.db2.gz PWMNYLUVAQQLGR-UHFFFAOYSA-N -1 3 387.444 0.755 20 0 GCADHM CSc1nc2nc(C)c(CC(=O)N(CCN(C)C)CC(=O)[O-])c(C)n2n1 ZINC000740024747 596909936 /nfs/dbraw/zinc/90/99/36/596909936.db2.gz KOZIXYVLOMJAGU-UHFFFAOYSA-N -1 3 380.474 0.480 20 0 GCADHM COCCCS(=O)(=O)N1CCN([C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821688648 607261530 /nfs/dbraw/zinc/26/15/30/607261530.db2.gz TVWHGYDTIXSHQH-CQSZACIVSA-N -1 3 394.501 0.912 20 0 GCADHM COCCCS(=O)(=O)N1CCN([C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821688648 607261531 /nfs/dbraw/zinc/26/15/31/607261531.db2.gz TVWHGYDTIXSHQH-CQSZACIVSA-N -1 3 394.501 0.912 20 0 GCADHM CNC(=O)Cn1cnc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000736878990 599229264 /nfs/dbraw/zinc/22/92/64/599229264.db2.gz MZDIBXVWWOYJHW-UHFFFAOYSA-N -1 3 399.415 0.392 20 0 GCADHM CNC(=O)Cn1cnc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000736878990 599229266 /nfs/dbraw/zinc/22/92/66/599229266.db2.gz MZDIBXVWWOYJHW-UHFFFAOYSA-N -1 3 399.415 0.392 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000737610991 599235123 /nfs/dbraw/zinc/23/51/23/599235123.db2.gz CNWAQZMPARNEKE-CQSZACIVSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000737610991 599235126 /nfs/dbraw/zinc/23/51/26/599235126.db2.gz CNWAQZMPARNEKE-CQSZACIVSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1nc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cc1C1CC1 ZINC000737623124 599239536 /nfs/dbraw/zinc/23/95/36/599239536.db2.gz PRZNTKYFWCDUTN-UHFFFAOYSA-N -1 3 379.428 0.835 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccc2c(c1)COC2 ZINC000823005631 607265744 /nfs/dbraw/zinc/26/57/44/607265744.db2.gz ZFSYKGDYLFOOOJ-UHFFFAOYSA-N -1 3 378.392 0.943 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccc2c(c1)COC2 ZINC000823005631 607265745 /nfs/dbraw/zinc/26/57/45/607265745.db2.gz ZFSYKGDYLFOOOJ-UHFFFAOYSA-N -1 3 378.392 0.943 20 0 GCADHM C[C@H](CNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)CN1CCN(C)CC1 ZINC000738917804 597017151 /nfs/dbraw/zinc/01/71/51/597017151.db2.gz YLNLPCANDRMSSL-CRAIPNDOSA-N -1 3 387.484 0.706 20 0 GCADHM Cn1nc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cc1C1CC1 ZINC000737623124 599239538 /nfs/dbraw/zinc/23/95/38/599239538.db2.gz PRZNTKYFWCDUTN-UHFFFAOYSA-N -1 3 379.428 0.835 20 0 GCADHM COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000737007417 599236669 /nfs/dbraw/zinc/23/66/69/599236669.db2.gz RUXYAEZYTPSHNI-CQSZACIVSA-N -1 3 388.384 0.693 20 0 GCADHM COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000737007417 599236671 /nfs/dbraw/zinc/23/66/71/599236671.db2.gz RUXYAEZYTPSHNI-CQSZACIVSA-N -1 3 388.384 0.693 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000821761521 607266394 /nfs/dbraw/zinc/26/63/94/607266394.db2.gz AWKUIPSYLKJXSI-UHFFFAOYSA-N -1 3 388.432 0.113 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000821761521 607266395 /nfs/dbraw/zinc/26/63/95/607266395.db2.gz AWKUIPSYLKJXSI-UHFFFAOYSA-N -1 3 388.432 0.113 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC000736624063 599237383 /nfs/dbraw/zinc/23/73/83/599237383.db2.gz QYULNBIQXVOVQK-CYBMUJFWSA-N -1 3 380.474 0.598 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC000736624063 599237386 /nfs/dbraw/zinc/23/73/86/599237386.db2.gz QYULNBIQXVOVQK-CYBMUJFWSA-N -1 3 380.474 0.598 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C[C@H]1C ZINC000736624094 599237427 /nfs/dbraw/zinc/23/74/27/599237427.db2.gz RNGSFHWCFVLYMJ-CQSZACIVSA-N -1 3 394.501 0.906 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C[C@H]1C ZINC000736624094 599237428 /nfs/dbraw/zinc/23/74/28/599237428.db2.gz RNGSFHWCFVLYMJ-CQSZACIVSA-N -1 3 394.501 0.906 20 0 GCADHM Cn1nnnc1-c1cccc(S(=O)(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737626813 599237692 /nfs/dbraw/zinc/23/76/92/599237692.db2.gz LLPQNNMTJJKRFH-UHFFFAOYSA-N -1 3 397.424 0.536 20 0 GCADHM Cn1nnnc1-c1cccc(S(=O)(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737626813 599237694 /nfs/dbraw/zinc/23/76/94/599237694.db2.gz LLPQNNMTJJKRFH-UHFFFAOYSA-N -1 3 397.424 0.536 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(C)(C)NS(C)(=O)=O ZINC000736997037 599238665 /nfs/dbraw/zinc/23/86/65/599238665.db2.gz GTTUXQLLVWWMLM-UHFFFAOYSA-N -1 3 396.473 0.170 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(C)(C)NS(C)(=O)=O ZINC000736997037 599238667 /nfs/dbraw/zinc/23/86/67/599238667.db2.gz GTTUXQLLVWWMLM-UHFFFAOYSA-N -1 3 396.473 0.170 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820656550 599240662 /nfs/dbraw/zinc/24/06/62/599240662.db2.gz GBVYZIKTJSKLIA-YGRLFVJLSA-N -1 3 381.400 0.916 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820656550 599240664 /nfs/dbraw/zinc/24/06/64/599240664.db2.gz GBVYZIKTJSKLIA-YGRLFVJLSA-N -1 3 381.400 0.916 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822205622 599241428 /nfs/dbraw/zinc/24/14/28/599241428.db2.gz AYRKCJOYUPISCC-CYBMUJFWSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822205622 599241431 /nfs/dbraw/zinc/24/14/31/599241431.db2.gz AYRKCJOYUPISCC-CYBMUJFWSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000740081655 597110369 /nfs/dbraw/zinc/11/03/69/597110369.db2.gz YDRPSWYPEMRIBI-UHFFFAOYSA-N -1 3 383.470 0.623 20 0 GCADHM NC(=O)COc1ccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737753797 599243510 /nfs/dbraw/zinc/24/35/10/599243510.db2.gz RFJJOTGDVOVQOT-UHFFFAOYSA-N -1 3 382.380 0.540 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)C2 ZINC000821553017 607275965 /nfs/dbraw/zinc/27/59/65/607275965.db2.gz DSJSCUZPZCQOBJ-UHFFFAOYSA-N -1 3 381.400 0.310 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)C2 ZINC000821553017 607275966 /nfs/dbraw/zinc/27/59/66/607275966.db2.gz DSJSCUZPZCQOBJ-UHFFFAOYSA-N -1 3 381.400 0.310 20 0 GCADHM NC(=O)NCc1ccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737754512 599245120 /nfs/dbraw/zinc/24/51/20/599245120.db2.gz FAYGVCVLQFHZOG-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822045972 607278607 /nfs/dbraw/zinc/27/86/07/607278607.db2.gz VXMFUADANDMZRK-NEPJUHHUSA-N -1 3 387.444 0.027 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000819789461 607278085 /nfs/dbraw/zinc/27/80/85/607278085.db2.gz PAWSADXEATXQNU-UHFFFAOYSA-N -1 3 385.428 0.583 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000819789461 607278086 /nfs/dbraw/zinc/27/80/86/607278086.db2.gz PAWSADXEATXQNU-UHFFFAOYSA-N -1 3 385.428 0.583 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2ccnc2)nn1 ZINC000738087741 599245788 /nfs/dbraw/zinc/24/57/88/599245788.db2.gz AESNASDPJPJUST-UHFFFAOYSA-N -1 3 377.368 0.651 20 0 GCADHM O=C(CCc1nc(-c2nc[nH]n2)no1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737860547 599245939 /nfs/dbraw/zinc/24/59/39/599245939.db2.gz TVJYFIBQSQQPDI-UHFFFAOYSA-N -1 3 396.371 0.163 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822052564 607273005 /nfs/dbraw/zinc/27/30/05/607273005.db2.gz DCWITMHYJKGHBB-ZDUSSCGKSA-N -1 3 396.407 0.670 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822052564 607273006 /nfs/dbraw/zinc/27/30/06/607273006.db2.gz DCWITMHYJKGHBB-ZDUSSCGKSA-N -1 3 396.407 0.670 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)Nc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822680330 599246345 /nfs/dbraw/zinc/24/63/45/599246345.db2.gz LURRRJLLVBCKGJ-CQSZACIVSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822680330 599246347 /nfs/dbraw/zinc/24/63/47/599246347.db2.gz LURRRJLLVBCKGJ-CQSZACIVSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1cc(CN2CCCN(C(=O)Nc3nn(C)cc3-c3nnn[n-]3)CC2)cn1 ZINC000822679632 607273273 /nfs/dbraw/zinc/27/32/73/607273273.db2.gz IDIDRLXTLQLUBA-UHFFFAOYSA-N -1 3 385.436 0.074 20 0 GCADHM Cn1cc(CN2CCCN(C(=O)Nc3nn(C)cc3-c3nn[n-]n3)CC2)cn1 ZINC000822679632 607273274 /nfs/dbraw/zinc/27/32/74/607273274.db2.gz IDIDRLXTLQLUBA-UHFFFAOYSA-N -1 3 385.436 0.074 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)Nc3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000822690079 599246599 /nfs/dbraw/zinc/24/65/99/599246599.db2.gz RYDVOWKIDXFTKM-CYBMUJFWSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000822690079 599246600 /nfs/dbraw/zinc/24/66/00/599246600.db2.gz RYDVOWKIDXFTKM-CYBMUJFWSA-N -1 3 381.400 0.917 20 0 GCADHM COC(=O)CC1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821658838 607274370 /nfs/dbraw/zinc/27/43/70/607274370.db2.gz KEKGEQCZHCSIQU-UHFFFAOYSA-N -1 3 386.412 0.915 20 0 GCADHM COC(=O)CC1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821658838 607274371 /nfs/dbraw/zinc/27/43/71/607274371.db2.gz KEKGEQCZHCSIQU-UHFFFAOYSA-N -1 3 386.412 0.915 20 0 GCADHM Cc1c(NC(=O)C(=O)N(C)Cc2cccc(C(N)=O)c2)cccc1-c1nnn[n-]1 ZINC000822034504 607274407 /nfs/dbraw/zinc/27/44/07/607274407.db2.gz FLEXXGPFBHHOEX-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM Cc1c(NC(=O)C(=O)N(C)Cc2cccc(C(N)=O)c2)cccc1-c1nn[n-]n1 ZINC000822034504 607274408 /nfs/dbraw/zinc/27/44/08/607274408.db2.gz FLEXXGPFBHHOEX-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821664891 607274954 /nfs/dbraw/zinc/27/49/54/607274954.db2.gz MWMHHFGREKYKJA-LLVKDONJSA-N -1 3 387.400 0.461 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821664891 607274955 /nfs/dbraw/zinc/27/49/55/607274955.db2.gz MWMHHFGREKYKJA-LLVKDONJSA-N -1 3 387.400 0.461 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)cccc1-c1nnn[n-]1 ZINC000822043481 607275263 /nfs/dbraw/zinc/27/52/63/607275263.db2.gz FKTQVTATPYUGLR-LBPRGKRZSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)cccc1-c1nn[n-]n1 ZINC000822043481 607275264 /nfs/dbraw/zinc/27/52/64/607275264.db2.gz FKTQVTATPYUGLR-LBPRGKRZSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)cccc1-c1nnn[n-]1 ZINC000822044222 607279114 /nfs/dbraw/zinc/27/91/14/607279114.db2.gz ITAXKNQFSQFGDU-UHFFFAOYSA-N -1 3 392.441 0.149 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)cccc1-c1nn[n-]n1 ZINC000822044222 607279115 /nfs/dbraw/zinc/27/91/15/607279115.db2.gz ITAXKNQFSQFGDU-UHFFFAOYSA-N -1 3 392.441 0.149 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCOC3(CCOCC3)C2)cccc1-c1nnn[n-]1 ZINC000822043469 607279934 /nfs/dbraw/zinc/27/99/34/607279934.db2.gz FGGLDQUFKUNFTB-UHFFFAOYSA-N -1 3 386.412 0.522 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCOC3(CCOCC3)C2)cccc1-c1nn[n-]n1 ZINC000822043469 607279935 /nfs/dbraw/zinc/27/99/35/607279935.db2.gz FGGLDQUFKUNFTB-UHFFFAOYSA-N -1 3 386.412 0.522 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821636209 607280338 /nfs/dbraw/zinc/28/03/38/607280338.db2.gz JQLSSSAFBGXBPZ-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821636209 607280339 /nfs/dbraw/zinc/28/03/39/607280339.db2.gz JQLSSSAFBGXBPZ-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O ZINC000818378641 597263515 /nfs/dbraw/zinc/26/35/15/597263515.db2.gz YNDBWPGSVYUYFJ-GOSISDBHSA-N -1 3 382.461 0.352 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCCS(=O)(=O)CC1 ZINC000737526285 599251907 /nfs/dbraw/zinc/25/19/07/599251907.db2.gz ZZHWSAKHDGOOLY-UHFFFAOYSA-N -1 3 388.457 0.512 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCCS(=O)(=O)CC1 ZINC000737526285 599251909 /nfs/dbraw/zinc/25/19/09/599251909.db2.gz ZZHWSAKHDGOOLY-UHFFFAOYSA-N -1 3 388.457 0.512 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821442788 607287761 /nfs/dbraw/zinc/28/77/61/607287761.db2.gz WCOWSPRGRNUPNF-UHFFFAOYSA-N -1 3 379.446 0.674 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821442788 607287762 /nfs/dbraw/zinc/28/77/62/607287762.db2.gz WCOWSPRGRNUPNF-UHFFFAOYSA-N -1 3 379.446 0.674 20 0 GCADHM COc1ccccc1N1C[C@H](C(=O)Nc2ccncc2-c2nnn[n-]2)CC1=O ZINC000737152334 599254610 /nfs/dbraw/zinc/25/46/10/599254610.db2.gz KMDVZAYTAAYZJD-LLVKDONJSA-N -1 3 379.380 0.684 20 0 GCADHM COc1ccccc1N1C[C@H](C(=O)Nc2ccncc2-c2nn[n-]n2)CC1=O ZINC000737152334 599254613 /nfs/dbraw/zinc/25/46/13/599254613.db2.gz KMDVZAYTAAYZJD-LLVKDONJSA-N -1 3 379.380 0.684 20 0 GCADHM Cc1c(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cccc1-c1nnn[n-]1 ZINC000822091292 607287351 /nfs/dbraw/zinc/28/73/51/607287351.db2.gz PLWDLGPLCXCILR-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM Cc1c(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cccc1-c1nn[n-]n1 ZINC000822091292 607287352 /nfs/dbraw/zinc/28/73/52/607287352.db2.gz PLWDLGPLCXCILR-LLVKDONJSA-N -1 3 379.446 0.721 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[C@H]1CN(C)CCO1 ZINC000820314443 607292812 /nfs/dbraw/zinc/29/28/12/607292812.db2.gz IZMFHCFETXEVJL-NOZJJQNGSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[C@H]1CN(C)CCO1 ZINC000820314443 607292813 /nfs/dbraw/zinc/29/28/13/607292813.db2.gz IZMFHCFETXEVJL-NOZJJQNGSA-N -1 3 393.835 0.294 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822242799 607294344 /nfs/dbraw/zinc/29/43/44/607294344.db2.gz YBRKLUSTMWKBSH-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822242799 607294345 /nfs/dbraw/zinc/29/43/45/607294345.db2.gz YBRKLUSTMWKBSH-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM CC(=O)N1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000819796846 607297763 /nfs/dbraw/zinc/29/77/63/607297763.db2.gz PWBKFSWDPMEBFJ-UHFFFAOYSA-N -1 3 385.428 0.666 20 0 GCADHM CC(=O)N1CCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000819796846 607297764 /nfs/dbraw/zinc/29/77/64/607297764.db2.gz PWBKFSWDPMEBFJ-UHFFFAOYSA-N -1 3 385.428 0.666 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)c1nncn1C ZINC000820321796 607298719 /nfs/dbraw/zinc/29/87/19/607298719.db2.gz MOSVABYQPUHCLE-LLVKDONJSA-N -1 3 383.416 0.981 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)c1nncn1C ZINC000820321796 607298720 /nfs/dbraw/zinc/29/87/20/607298720.db2.gz MOSVABYQPUHCLE-LLVKDONJSA-N -1 3 383.416 0.981 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737611371 599260813 /nfs/dbraw/zinc/26/08/13/599260813.db2.gz VWFXFPNYZPCZSL-OAHLLOKOSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737611371 599260814 /nfs/dbraw/zinc/26/08/14/599260814.db2.gz VWFXFPNYZPCZSL-OAHLLOKOSA-N -1 3 380.412 0.455 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822868689 607301789 /nfs/dbraw/zinc/30/17/89/607301789.db2.gz FKLZBUOQZXUKSB-UHFFFAOYSA-N -1 3 387.787 0.709 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822868689 607301790 /nfs/dbraw/zinc/30/17/90/607301790.db2.gz FKLZBUOQZXUKSB-UHFFFAOYSA-N -1 3 387.787 0.709 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000735473875 599264267 /nfs/dbraw/zinc/26/42/67/599264267.db2.gz KJKCIRKZXBNJEH-OAHLLOKOSA-N -1 3 390.469 0.463 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000735473875 599264269 /nfs/dbraw/zinc/26/42/69/599264269.db2.gz KJKCIRKZXBNJEH-OAHLLOKOSA-N -1 3 390.469 0.463 20 0 GCADHM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736009263 599264509 /nfs/dbraw/zinc/26/45/09/599264509.db2.gz GDZNLUZKNKHVFL-AWEZNQCLSA-N -1 3 393.455 0.597 20 0 GCADHM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736009263 599264512 /nfs/dbraw/zinc/26/45/12/599264512.db2.gz GDZNLUZKNKHVFL-AWEZNQCLSA-N -1 3 393.455 0.597 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(C)CC(C)(CO)CO ZINC000819868476 607311120 /nfs/dbraw/zinc/31/11/20/607311120.db2.gz YUKARGCYZOLBOP-JTQLQIEISA-N -1 3 382.852 0.770 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(C)CC(C)(CO)CO ZINC000819868476 607311121 /nfs/dbraw/zinc/31/11/21/607311121.db2.gz YUKARGCYZOLBOP-JTQLQIEISA-N -1 3 382.852 0.770 20 0 GCADHM c1ncn(Cc2ccc(NC[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2)n1 ZINC000823821538 607312147 /nfs/dbraw/zinc/31/21/47/607312147.db2.gz WGSPELPVWIXHSZ-ZDUSSCGKSA-N -1 3 377.416 0.857 20 0 GCADHM c1ncn(Cc2ccc(NC[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2)n1 ZINC000823821538 607312148 /nfs/dbraw/zinc/31/21/48/607312148.db2.gz WGSPELPVWIXHSZ-ZDUSSCGKSA-N -1 3 377.416 0.857 20 0 GCADHM COc1ccc(CNc2cccc(C(=O)NCC(N)=O)c2)cc1-c1nnn[n-]1 ZINC000821821493 607312580 /nfs/dbraw/zinc/31/25/80/607312580.db2.gz ICOATGHDXIFCFI-UHFFFAOYSA-N -1 3 381.396 0.703 20 0 GCADHM COc1ccc(CNc2cccc(C(=O)NCC(N)=O)c2)cc1-c1nn[n-]n1 ZINC000821821493 607312581 /nfs/dbraw/zinc/31/25/81/607312581.db2.gz ICOATGHDXIFCFI-UHFFFAOYSA-N -1 3 381.396 0.703 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000821406592 599264717 /nfs/dbraw/zinc/26/47/17/599264717.db2.gz IZPURCKGBMNKGH-NSHDSACASA-N -1 3 380.430 0.964 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000821406592 599264718 /nfs/dbraw/zinc/26/47/18/599264718.db2.gz IZPURCKGBMNKGH-NSHDSACASA-N -1 3 380.430 0.964 20 0 GCADHM CS(=O)(=O)Cc1ccccc1NC[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821932087 607314306 /nfs/dbraw/zinc/31/43/06/607314306.db2.gz JGLVRXIJUQRPKZ-NSHDSACASA-N -1 3 388.457 0.762 20 0 GCADHM CS(=O)(=O)Cc1ccccc1NC[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821932087 607314307 /nfs/dbraw/zinc/31/43/07/607314307.db2.gz JGLVRXIJUQRPKZ-NSHDSACASA-N -1 3 388.457 0.762 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCC(=O)N1CCOCC1 ZINC000737263643 599265219 /nfs/dbraw/zinc/26/52/19/599265219.db2.gz NFWGWTFGQPKCRH-UHFFFAOYSA-N -1 3 385.403 0.945 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCC(=O)N1CCOCC1 ZINC000737263643 599265222 /nfs/dbraw/zinc/26/52/22/599265222.db2.gz NFWGWTFGQPKCRH-UHFFFAOYSA-N -1 3 385.403 0.945 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)C(=O)[O-] ZINC000818019118 597516153 /nfs/dbraw/zinc/51/61/53/597516153.db2.gz XWSNTNJXIBYDIQ-IUODEOHRSA-N -1 3 390.440 0.381 20 0 GCADHM CN(C)CC(=O)Nc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821582945 607316792 /nfs/dbraw/zinc/31/67/92/607316792.db2.gz CNTJBGHEUBCKBN-GFCCVEGCSA-N -1 3 396.459 0.717 20 0 GCADHM CN(C)CC(=O)Nc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821582945 607316793 /nfs/dbraw/zinc/31/67/93/607316793.db2.gz CNTJBGHEUBCKBN-GFCCVEGCSA-N -1 3 396.459 0.717 20 0 GCADHM CNC(=O)COc1ccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821633905 607317270 /nfs/dbraw/zinc/31/72/70/607317270.db2.gz JIXXXXBYDVDPFF-LLVKDONJSA-N -1 3 383.416 0.342 20 0 GCADHM CNC(=O)COc1ccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821633905 607317271 /nfs/dbraw/zinc/31/72/71/607317271.db2.gz JIXXXXBYDVDPFF-LLVKDONJSA-N -1 3 383.416 0.342 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cn1 ZINC000821691398 599268938 /nfs/dbraw/zinc/26/89/38/599268938.db2.gz SRGUJOWRVYKMEK-UHFFFAOYSA-N -1 3 399.415 0.778 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000821691398 599268941 /nfs/dbraw/zinc/26/89/41/599268941.db2.gz SRGUJOWRVYKMEK-UHFFFAOYSA-N -1 3 399.415 0.778 20 0 GCADHM Cc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)c(-c2nnn[n-]2)c1C ZINC000737522465 599268986 /nfs/dbraw/zinc/26/89/86/599268986.db2.gz UCXFCCZIIAELPN-UHFFFAOYSA-N -1 3 379.428 0.699 20 0 GCADHM Cc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)c(-c2nn[n-]n2)c1C ZINC000737522465 599268990 /nfs/dbraw/zinc/26/89/90/599268990.db2.gz UCXFCCZIIAELPN-UHFFFAOYSA-N -1 3 379.428 0.699 20 0 GCADHM CC(=O)NC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000735475576 599270639 /nfs/dbraw/zinc/27/06/39/599270639.db2.gz XXYSOWRGDXSXPQ-LBPRGKRZSA-N -1 3 393.835 0.296 20 0 GCADHM CC(=O)NC[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000735475576 599270642 /nfs/dbraw/zinc/27/06/42/599270642.db2.gz XXYSOWRGDXSXPQ-LBPRGKRZSA-N -1 3 393.835 0.296 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737161959 599276057 /nfs/dbraw/zinc/27/60/57/599276057.db2.gz OIKSYOYNZTUXCL-CYBMUJFWSA-N -1 3 383.455 0.192 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737161959 599276059 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GCADHM O=S(=O)(C[C@H]1CCCCO1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738320317 598272568 /nfs/dbraw/zinc/27/25/68/598272568.db2.gz WZQPWBRVVDCEIL-CQSZACIVSA-N -1 3 392.485 0.888 20 0 GCADHM O=C(NCc1cccc(CO)c1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738117898 598273799 /nfs/dbraw/zinc/27/37/99/598273799.db2.gz YJBWAMSXCIYGGH-UHFFFAOYSA-N -1 3 394.439 0.786 20 0 GCADHM O=C(NCc1cccc(CO)c1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738117898 598273801 /nfs/dbraw/zinc/27/38/01/598273801.db2.gz YJBWAMSXCIYGGH-UHFFFAOYSA-N -1 3 394.439 0.786 20 0 GCADHM CC(C)NC(=O)CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735884696 598281738 /nfs/dbraw/zinc/28/17/38/598281738.db2.gz PFAITAAGQOTKSH-UHFFFAOYSA-N -1 3 390.423 0.362 20 0 GCADHM CCCNC(=O)CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736483863 598282340 /nfs/dbraw/zinc/28/23/40/598282340.db2.gz RLCQYSXLJQXCMF-UHFFFAOYSA-N -1 3 390.423 0.364 20 0 GCADHM O=C(CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)NC1CCCC1 ZINC000737888351 598284559 /nfs/dbraw/zinc/28/45/59/598284559.db2.gz BVJNAYLHGRHOTM-UHFFFAOYSA-N -1 3 398.471 0.757 20 0 GCADHM O=C(CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)NC1CCCC1 ZINC000737888351 598284560 /nfs/dbraw/zinc/28/45/60/598284560.db2.gz BVJNAYLHGRHOTM-UHFFFAOYSA-N -1 3 398.471 0.757 20 0 GCADHM CCn1cc(N2C(=O)C[C@H](N(C)Cc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000736721477 598284695 /nfs/dbraw/zinc/28/46/95/598284695.db2.gz BRLWZDUUICJMTF-HNNXBMFYSA-N -1 3 380.412 0.847 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)s1 ZINC000737761096 598287273 /nfs/dbraw/zinc/28/72/73/598287273.db2.gz UKKDYWDHQHFQTP-UHFFFAOYSA-N -1 3 383.437 0.990 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)s1 ZINC000737761096 598287275 /nfs/dbraw/zinc/28/72/75/598287275.db2.gz UKKDYWDHQHFQTP-UHFFFAOYSA-N -1 3 383.437 0.990 20 0 GCADHM Cc1occc1C(=O)NCC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737555991 598287590 /nfs/dbraw/zinc/28/75/90/598287590.db2.gz CFZRYPCJGRSJCD-UHFFFAOYSA-N -1 3 395.423 0.847 20 0 GCADHM Cc1occc1C(=O)NCC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737555991 598287592 /nfs/dbraw/zinc/28/75/92/598287592.db2.gz CFZRYPCJGRSJCD-UHFFFAOYSA-N -1 3 395.423 0.847 20 0 GCADHM O=C(NC1CC1)C1(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000738294229 598288116 /nfs/dbraw/zinc/28/81/16/598288116.db2.gz AEDXRLODWXNASX-CQSZACIVSA-N -1 3 396.407 0.574 20 0 GCADHM O=C(NC1CC1)C1(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000738294229 598288118 /nfs/dbraw/zinc/28/81/18/598288118.db2.gz AEDXRLODWXNASX-CQSZACIVSA-N -1 3 396.407 0.574 20 0 GCADHM NC(=O)CN1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000737753180 598288389 /nfs/dbraw/zinc/28/83/89/598288389.db2.gz NGOFNLUQKAWBTL-UHFFFAOYSA-N -1 3 391.435 0.777 20 0 GCADHM NC(=O)CN1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000737753180 598288391 /nfs/dbraw/zinc/28/83/91/598288391.db2.gz NGOFNLUQKAWBTL-UHFFFAOYSA-N -1 3 391.435 0.777 20 0 GCADHM COC(=O)N(C)CCCC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736932083 598288958 /nfs/dbraw/zinc/28/89/58/598288958.db2.gz FAUIQZVTEWYEDN-UHFFFAOYSA-N -1 3 376.373 0.827 20 0 GCADHM COC(=O)N(C)CCCC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736932083 598288959 /nfs/dbraw/zinc/28/89/59/598288959.db2.gz FAUIQZVTEWYEDN-UHFFFAOYSA-N -1 3 376.373 0.827 20 0 GCADHM CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC1=O ZINC000735692913 598290708 /nfs/dbraw/zinc/29/07/08/598290708.db2.gz VJVDOJZDBSLWLD-INIZCTEOSA-N -1 3 386.412 0.995 20 0 GCADHM CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000735692913 598290709 /nfs/dbraw/zinc/29/07/09/598290709.db2.gz VJVDOJZDBSLWLD-INIZCTEOSA-N -1 3 386.412 0.995 20 0 GCADHM CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)N1CCCC1=O ZINC000735692915 598290769 /nfs/dbraw/zinc/29/07/69/598290769.db2.gz VJVDOJZDBSLWLD-MRXNPFEDSA-N -1 3 386.412 0.995 20 0 GCADHM CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000735692915 598290770 /nfs/dbraw/zinc/29/07/70/598290770.db2.gz VJVDOJZDBSLWLD-MRXNPFEDSA-N -1 3 386.412 0.995 20 0 GCADHM O=S(=O)(Cc1nnnn1-c1ccccc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000738332336 598291031 /nfs/dbraw/zinc/29/10/31/598291031.db2.gz WDPLPFSNWSXYCD-UHFFFAOYSA-N -1 3 382.409 0.957 20 0 GCADHM O=S(=O)(Cc1nnnn1-c1ccccc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000738332336 598291033 /nfs/dbraw/zinc/29/10/33/598291033.db2.gz WDPLPFSNWSXYCD-UHFFFAOYSA-N -1 3 382.409 0.957 20 0 GCADHM O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738036368 598292185 /nfs/dbraw/zinc/29/21/85/598292185.db2.gz BEHIJNBTABRSEH-CYBMUJFWSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(NC[C@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738036368 598292186 /nfs/dbraw/zinc/29/21/86/598292186.db2.gz BEHIJNBTABRSEH-CYBMUJFWSA-N -1 3 384.371 0.664 20 0 GCADHM C[C@H](NC(=O)c1cccs1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736125231 598292451 /nfs/dbraw/zinc/29/24/51/598292451.db2.gz JBCAUYOEQIKWEM-QMMMGPOBSA-N -1 3 376.402 0.069 20 0 GCADHM C[C@H](NC(=O)c1cccs1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736125231 598292452 /nfs/dbraw/zinc/29/24/52/598292452.db2.gz JBCAUYOEQIKWEM-QMMMGPOBSA-N -1 3 376.402 0.069 20 0 GCADHM C[C@@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)NC(=O)c1ccccc1 ZINC000735976343 598292749 /nfs/dbraw/zinc/29/27/49/598292749.db2.gz LZHXMENUJZZSIZ-NSHDSACASA-N -1 3 384.400 0.397 20 0 GCADHM C[C@@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)NC(=O)c1ccccc1 ZINC000735976343 598292751 /nfs/dbraw/zinc/29/27/51/598292751.db2.gz LZHXMENUJZZSIZ-NSHDSACASA-N -1 3 384.400 0.397 20 0 GCADHM COc1ccc(CCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1OC ZINC000737085926 598293048 /nfs/dbraw/zinc/29/30/48/598293048.db2.gz DFPZJMIAFNJHAR-UHFFFAOYSA-N -1 3 387.400 0.839 20 0 GCADHM COc1ccc(CCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1OC ZINC000737085926 598293050 /nfs/dbraw/zinc/29/30/50/598293050.db2.gz DFPZJMIAFNJHAR-UHFFFAOYSA-N -1 3 387.400 0.839 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCNC(=O)C1CCCCC1 ZINC000737770118 598295063 /nfs/dbraw/zinc/29/50/63/598295063.db2.gz ITERBYWJAIJAIB-UHFFFAOYSA-N -1 3 376.421 0.275 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCNC(=O)C1CCCCC1 ZINC000737770118 598295065 /nfs/dbraw/zinc/29/50/65/598295065.db2.gz ITERBYWJAIJAIB-UHFFFAOYSA-N -1 3 376.421 0.275 20 0 GCADHM C[C@@]1(c2ccc(CNC(=O)c3sccc3-c3nnn[n-]3)cc2)NC(=O)NC1=O ZINC000736224237 598297479 /nfs/dbraw/zinc/29/74/79/598297479.db2.gz RDEMTZHKKMDYFF-KRWDZBQOSA-N -1 3 397.420 0.913 20 0 GCADHM C[C@@]1(c2ccc(CNC(=O)c3sccc3-c3nn[n-]n3)cc2)NC(=O)NC1=O ZINC000736224237 598297481 /nfs/dbraw/zinc/29/74/81/598297481.db2.gz RDEMTZHKKMDYFF-KRWDZBQOSA-N -1 3 397.420 0.913 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735623401 598299771 /nfs/dbraw/zinc/29/97/71/598299771.db2.gz NNJISYXJYSBCTI-LBPRGKRZSA-N -1 3 396.498 0.845 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735623401 598299772 /nfs/dbraw/zinc/29/97/72/598299772.db2.gz NNJISYXJYSBCTI-LBPRGKRZSA-N -1 3 396.498 0.845 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736497452 598303149 /nfs/dbraw/zinc/30/31/49/598303149.db2.gz HMZVVXMJOHUGQB-CQSZACIVSA-N -1 3 396.448 0.826 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736497452 598303150 /nfs/dbraw/zinc/30/31/50/598303150.db2.gz HMZVVXMJOHUGQB-CQSZACIVSA-N -1 3 396.448 0.826 20 0 GCADHM Cc1noc([C@@H](C)NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000737534831 598304047 /nfs/dbraw/zinc/30/40/47/598304047.db2.gz RFPNTWUAZOBULL-SNVBAGLBSA-N -1 3 384.404 0.546 20 0 GCADHM Cc1noc([C@@H](C)NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000737534831 598304049 /nfs/dbraw/zinc/30/40/49/598304049.db2.gz RFPNTWUAZOBULL-SNVBAGLBSA-N -1 3 384.404 0.546 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737759598 598304179 /nfs/dbraw/zinc/30/41/79/598304179.db2.gz WGFLFFCQEYJTAY-HNNXBMFYSA-N -1 3 384.444 0.054 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735684092 598304867 /nfs/dbraw/zinc/30/48/67/598304867.db2.gz AZDUPCSWWGEVJI-CQSZACIVSA-N -1 3 385.428 0.568 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735684092 598304868 /nfs/dbraw/zinc/30/48/68/598304868.db2.gz AZDUPCSWWGEVJI-CQSZACIVSA-N -1 3 385.428 0.568 20 0 GCADHM CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735685713 598306518 /nfs/dbraw/zinc/30/65/18/598306518.db2.gz ZCEZZDVXDRPDNO-CYBMUJFWSA-N -1 3 399.455 0.816 20 0 GCADHM CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735685713 598306519 /nfs/dbraw/zinc/30/65/19/598306519.db2.gz ZCEZZDVXDRPDNO-CYBMUJFWSA-N -1 3 399.455 0.816 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)cnc21 ZINC000737588901 598309356 /nfs/dbraw/zinc/30/93/56/598309356.db2.gz LBNGMKSVXBXSCB-UHFFFAOYSA-N -1 3 396.342 0.283 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)cnc21 ZINC000737588901 598309357 /nfs/dbraw/zinc/30/93/57/598309357.db2.gz LBNGMKSVXBXSCB-UHFFFAOYSA-N -1 3 396.342 0.283 20 0 GCADHM CC(C)(CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)N1CCOCC1 ZINC000735670436 598315388 /nfs/dbraw/zinc/31/53/88/598315388.db2.gz PMSORTNGQXMUMI-UHFFFAOYSA-N -1 3 377.424 0.916 20 0 GCADHM CC(C)(CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)N1CCOCC1 ZINC000735670436 598315390 /nfs/dbraw/zinc/31/53/90/598315390.db2.gz PMSORTNGQXMUMI-UHFFFAOYSA-N -1 3 377.424 0.916 20 0 GCADHM CS(=O)(=O)N1CCC[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737166248 598319389 /nfs/dbraw/zinc/31/93/89/598319389.db2.gz PDGRZWZBJXHPHR-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM CS(=O)(=O)N1CCC[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737166248 598319391 /nfs/dbraw/zinc/31/93/91/598319391.db2.gz PDGRZWZBJXHPHR-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM NC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737758068 598328054 /nfs/dbraw/zinc/32/80/54/598328054.db2.gz DHDBQTCCYYAGQA-JTQLQIEISA-N -1 3 376.396 0.596 20 0 GCADHM NC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737758068 598328056 /nfs/dbraw/zinc/32/80/56/598328056.db2.gz DHDBQTCCYYAGQA-JTQLQIEISA-N -1 3 376.396 0.596 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737164890 598328275 /nfs/dbraw/zinc/32/82/75/598328275.db2.gz CVLOHTALBRZSNM-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737164890 598328277 /nfs/dbraw/zinc/32/82/77/598328277.db2.gz CVLOHTALBRZSNM-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000737290422 598329833 /nfs/dbraw/zinc/32/98/33/598329833.db2.gz VPDYLTABRODJHH-UHFFFAOYSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(N2CCCC2=O)CC1 ZINC000737290422 598329835 /nfs/dbraw/zinc/32/98/35/598329835.db2.gz VPDYLTABRODJHH-UHFFFAOYSA-N -1 3 397.439 0.727 20 0 GCADHM CCc1nc(CCNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)no1 ZINC000736700071 598329839 /nfs/dbraw/zinc/32/98/39/598329839.db2.gz PRJCEBRRGRUMOI-UHFFFAOYSA-N -1 3 386.372 0.118 20 0 GCADHM CCc1nc(CCNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)no1 ZINC000736700071 598329842 /nfs/dbraw/zinc/32/98/42/598329842.db2.gz PRJCEBRRGRUMOI-UHFFFAOYSA-N -1 3 386.372 0.118 20 0 GCADHM CS(=O)(=O)CCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737162007 598330471 /nfs/dbraw/zinc/33/04/71/598330471.db2.gz HATIKAHQDVIZNO-UHFFFAOYSA-N -1 3 391.409 0.813 20 0 GCADHM CS(=O)(=O)CCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737162007 598330473 /nfs/dbraw/zinc/33/04/73/598330473.db2.gz HATIKAHQDVIZNO-UHFFFAOYSA-N -1 3 391.409 0.813 20 0 GCADHM OC[C@@H]1CCCN1c1cc(NCCNc2ccc(-c3nn[n-]n3)cn2)ncn1 ZINC000738394367 598333231 /nfs/dbraw/zinc/33/32/31/598333231.db2.gz QWZIEACYOUKUBP-ZDUSSCGKSA-N -1 3 382.432 0.537 20 0 GCADHM Fc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)c(-c2nnn[n-]2)c1 ZINC000737650614 598344309 /nfs/dbraw/zinc/34/43/09/598344309.db2.gz UBEIQOQPYDTWER-UHFFFAOYSA-N -1 3 380.391 0.766 20 0 GCADHM Fc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)c(-c2nn[n-]n2)c1 ZINC000737650614 598344311 /nfs/dbraw/zinc/34/43/11/598344311.db2.gz UBEIQOQPYDTWER-UHFFFAOYSA-N -1 3 380.391 0.766 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736284652 598344825 /nfs/dbraw/zinc/34/48/25/598344825.db2.gz CFQLQGVUEVNUJS-RHSMWYFYSA-N -1 3 385.472 0.344 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000737547237 598347980 /nfs/dbraw/zinc/34/79/80/598347980.db2.gz IZMHJHBCQONWRY-LBPRGKRZSA-N -1 3 385.428 0.697 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000737547237 598347981 /nfs/dbraw/zinc/34/79/81/598347981.db2.gz IZMHJHBCQONWRY-LBPRGKRZSA-N -1 3 385.428 0.697 20 0 GCADHM COC(=O)c1ccncc1C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821671496 607352557 /nfs/dbraw/zinc/35/25/57/607352557.db2.gz YLCUAUFGCGUTSA-UHFFFAOYSA-N -1 3 388.365 0.905 20 0 GCADHM COC(=O)c1ccncc1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821671496 607352559 /nfs/dbraw/zinc/35/25/59/607352559.db2.gz YLCUAUFGCGUTSA-UHFFFAOYSA-N -1 3 388.365 0.905 20 0 GCADHM NC(=O)c1ccccc1OCC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737761202 598350062 /nfs/dbraw/zinc/35/00/62/598350062.db2.gz RCHIUKBAHXXQHJ-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM NC(=O)c1ccccc1OCC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737761202 598350063 /nfs/dbraw/zinc/35/00/63/598350063.db2.gz RCHIUKBAHXXQHJ-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM O=c1ccccn1CCN1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000738379379 598350267 /nfs/dbraw/zinc/35/02/67/598350267.db2.gz HERSHEZLXLNOBX-UHFFFAOYSA-N -1 3 383.431 0.985 20 0 GCADHM O=c1ccccn1CCN1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738379379 598350269 /nfs/dbraw/zinc/35/02/69/598350269.db2.gz HERSHEZLXLNOBX-UHFFFAOYSA-N -1 3 383.431 0.985 20 0 GCADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CN1CCO[C@@H](Cn2cccn2)C1 ZINC000738389723 598353828 /nfs/dbraw/zinc/35/38/28/598353828.db2.gz ZNXBPWKLVDUZKR-DOTOQJQBSA-N -1 3 385.428 0.204 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736510575 598355733 /nfs/dbraw/zinc/35/57/33/598355733.db2.gz YSEURIXGSFFIDU-NSHDSACASA-N -1 3 382.471 0.409 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736510575 598355735 /nfs/dbraw/zinc/35/57/35/598355735.db2.gz YSEURIXGSFFIDU-NSHDSACASA-N -1 3 382.471 0.409 20 0 GCADHM CNC(=O)C1(C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)CCC1 ZINC000736869098 598360493 /nfs/dbraw/zinc/36/04/93/598360493.db2.gz BHYCMZZAXFSASE-UHFFFAOYSA-N -1 3 383.456 0.822 20 0 GCADHM CNC(=O)C1(C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)CCC1 ZINC000736869098 598360495 /nfs/dbraw/zinc/36/04/95/598360495.db2.gz BHYCMZZAXFSASE-UHFFFAOYSA-N -1 3 383.456 0.822 20 0 GCADHM Cn1cc(CN2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737603102 598362143 /nfs/dbraw/zinc/36/21/43/598362143.db2.gz UMEHDSBXYWPYHX-UHFFFAOYSA-N -1 3 382.428 0.323 20 0 GCADHM O=C(NCCn1cncn1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738094123 598362409 /nfs/dbraw/zinc/36/24/09/598362409.db2.gz BMUXRASTXOFQCW-UHFFFAOYSA-N -1 3 382.432 0.380 20 0 GCADHM O=C(NCCn1cncn1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738094123 598362410 /nfs/dbraw/zinc/36/24/10/598362410.db2.gz BMUXRASTXOFQCW-UHFFFAOYSA-N -1 3 382.432 0.380 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCc1nccn1C(F)F ZINC000738077941 598362499 /nfs/dbraw/zinc/36/24/99/598362499.db2.gz JSCHXDHSQXGJSI-UHFFFAOYSA-N -1 3 378.347 0.765 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCc1nccn1C(F)F ZINC000738077941 598362500 /nfs/dbraw/zinc/36/25/00/598362500.db2.gz JSCHXDHSQXGJSI-UHFFFAOYSA-N -1 3 378.347 0.765 20 0 GCADHM O=C(NCCCN1C(=O)CCC1=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738066527 598362511 /nfs/dbraw/zinc/36/25/11/598362511.db2.gz PMLTZUQCWGWAGJ-OAHLLOKOSA-N -1 3 397.439 0.491 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737760156 598364180 /nfs/dbraw/zinc/36/41/80/598364180.db2.gz GORIFCFLAWRBHX-UHFFFAOYSA-N -1 3 379.380 0.263 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737760156 598364182 /nfs/dbraw/zinc/36/41/82/598364182.db2.gz GORIFCFLAWRBHX-UHFFFAOYSA-N -1 3 379.380 0.263 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000737534406 598367077 /nfs/dbraw/zinc/36/70/77/598367077.db2.gz OBQOZQVIFRFKIE-GFCCVEGCSA-N -1 3 397.443 0.875 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000737534406 598367080 /nfs/dbraw/zinc/36/70/80/598367080.db2.gz OBQOZQVIFRFKIE-GFCCVEGCSA-N -1 3 397.443 0.875 20 0 GCADHM CNC(=O)C1(C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000736869145 598371227 /nfs/dbraw/zinc/37/12/27/598371227.db2.gz CAEIQYAVKXCEJG-UHFFFAOYSA-N -1 3 378.776 0.528 20 0 GCADHM CNC(=O)C1(C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000736869145 598371228 /nfs/dbraw/zinc/37/12/28/598371228.db2.gz CAEIQYAVKXCEJG-UHFFFAOYSA-N -1 3 378.776 0.528 20 0 GCADHM O=C(Cc1ccc(O)cc1)NCC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737959852 598372232 /nfs/dbraw/zinc/37/22/32/598372232.db2.gz QPRBYXCWBWWLAG-UHFFFAOYSA-N -1 3 397.391 0.853 20 0 GCADHM O=C(Cc1ccc(O)cc1)NCC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737959852 598372235 /nfs/dbraw/zinc/37/22/35/598372235.db2.gz QPRBYXCWBWWLAG-UHFFFAOYSA-N -1 3 397.391 0.853 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCc1cnn(C)c1 ZINC000737059996 598372661 /nfs/dbraw/zinc/37/26/61/598372661.db2.gz YZPZFIPRZBWQDW-UHFFFAOYSA-N -1 3 384.400 0.296 20 0 GCADHM NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737761328 598373363 /nfs/dbraw/zinc/37/33/63/598373363.db2.gz XDYCIUVSVGPFLE-UHFFFAOYSA-N -1 3 383.343 0.360 20 0 GCADHM NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737761328 598373365 /nfs/dbraw/zinc/37/33/65/598373365.db2.gz XDYCIUVSVGPFLE-UHFFFAOYSA-N -1 3 383.343 0.360 20 0 GCADHM Cc1cccc2c(=O)n(CCC(=O)Nc3ccncc3-c3nnn[n-]3)cnc12 ZINC000737407826 598379522 /nfs/dbraw/zinc/37/95/22/598379522.db2.gz HWIHRFSJNHZDCV-UHFFFAOYSA-N -1 3 376.380 0.731 20 0 GCADHM Cc1cccc2c(=O)n(CCC(=O)Nc3ccncc3-c3nn[n-]n3)cnc12 ZINC000737407826 598379524 /nfs/dbraw/zinc/37/95/24/598379524.db2.gz HWIHRFSJNHZDCV-UHFFFAOYSA-N -1 3 376.380 0.731 20 0 GCADHM C[C@@H]1Cc2cc(C(=O)Nc3ccncc3-c3nnn[n-]3)ccc2N1S(C)(=O)=O ZINC000736300602 598380173 /nfs/dbraw/zinc/38/01/73/598380173.db2.gz ZDOGYNMQWNPGIC-SNVBAGLBSA-N -1 3 399.436 0.647 20 0 GCADHM C[C@@H]1Cc2cc(C(=O)Nc3ccncc3-c3nn[n-]n3)ccc2N1S(C)(=O)=O ZINC000736300602 598380175 /nfs/dbraw/zinc/38/01/75/598380175.db2.gz ZDOGYNMQWNPGIC-SNVBAGLBSA-N -1 3 399.436 0.647 20 0 GCADHM CS(=O)(=O)c1cc(C(=O)Nc2ccncc2-c2nnn[n-]2)ccc1Cl ZINC000737174443 598380963 /nfs/dbraw/zinc/38/09/63/598380963.db2.gz XOKOEWFWZZBASU-UHFFFAOYSA-N -1 3 378.801 0.993 20 0 GCADHM CS(=O)(=O)c1cc(C(=O)Nc2ccncc2-c2nn[n-]n2)ccc1Cl ZINC000737174443 598380965 /nfs/dbraw/zinc/38/09/65/598380965.db2.gz XOKOEWFWZZBASU-UHFFFAOYSA-N -1 3 378.801 0.993 20 0 GCADHM CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1 ZINC000737023811 598381386 /nfs/dbraw/zinc/38/13/86/598381386.db2.gz NWWAMSCPZDJDON-UHFFFAOYSA-N -1 3 389.397 0.118 20 0 GCADHM CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1 ZINC000737023811 598381388 /nfs/dbraw/zinc/38/13/88/598381388.db2.gz NWWAMSCPZDJDON-UHFFFAOYSA-N -1 3 389.397 0.118 20 0 GCADHM Cc1nc(CN2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000737476088 598382828 /nfs/dbraw/zinc/38/28/28/598382828.db2.gz AVURNAFBYVTEFI-SREVYHEPSA-N -1 3 380.412 0.916 20 0 GCADHM Cc1nc(CN2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000737476088 598382830 /nfs/dbraw/zinc/38/28/30/598382830.db2.gz AVURNAFBYVTEFI-SREVYHEPSA-N -1 3 380.412 0.916 20 0 GCADHM CCN1C(=S)N=NC1CCNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736713691 598382970 /nfs/dbraw/zinc/38/29/70/598382970.db2.gz LLUPRHODNGCEAQ-SNVBAGLBSA-N -1 3 388.457 0.893 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736510481 598384160 /nfs/dbraw/zinc/38/41/60/598384160.db2.gz XPAVKTJMNBJIDX-CYBMUJFWSA-N -1 3 375.458 0.658 20 0 GCADHM c1cc(-c2nnn[n-]2)cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)n1 ZINC000738406149 598386020 /nfs/dbraw/zinc/38/60/20/598386020.db2.gz SCXJZACVBJUOSE-UHFFFAOYSA-N -1 3 378.444 0.979 20 0 GCADHM c1cc(-c2nn[n-]n2)cc(N2CCN(c3nccc(N4CCCC4)n3)CC2)n1 ZINC000738406149 598386021 /nfs/dbraw/zinc/38/60/21/598386021.db2.gz SCXJZACVBJUOSE-UHFFFAOYSA-N -1 3 378.444 0.979 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCCN1CCCCC1=O ZINC000737025703 598397458 /nfs/dbraw/zinc/39/74/58/598397458.db2.gz ZLQFYDYXZFTORV-UHFFFAOYSA-N -1 3 388.428 0.773 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCCN1CCCCC1=O ZINC000737025703 598397460 /nfs/dbraw/zinc/39/74/60/598397460.db2.gz ZLQFYDYXZFTORV-UHFFFAOYSA-N -1 3 388.428 0.773 20 0 GCADHM O=C(CN1CCN(CCOc2ccc(-c3nn[n-]n3)cc2)CC1)N1CCCC1 ZINC000737871943 598397651 /nfs/dbraw/zinc/39/76/51/598397651.db2.gz FCIRUMKUDBTQKI-UHFFFAOYSA-N -1 3 385.472 0.486 20 0 GCADHM O=S(=O)(c1cncc(F)c1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738356610 598397886 /nfs/dbraw/zinc/39/78/86/598397886.db2.gz HCVVEDQKPUENEA-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM O=S(=O)(c1cncc(F)c1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738356610 598397888 /nfs/dbraw/zinc/39/78/88/598397888.db2.gz HCVVEDQKPUENEA-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM O=S(=O)(c1cncc(F)c1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738358403 598398191 /nfs/dbraw/zinc/39/81/91/598398191.db2.gz VEGYZRQCTTUFEA-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM O=S(=O)(c1cncc(F)c1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738358403 598398192 /nfs/dbraw/zinc/39/81/92/598398192.db2.gz VEGYZRQCTTUFEA-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM COc1ccc(OCCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737112621 598398822 /nfs/dbraw/zinc/39/88/22/598398822.db2.gz WFDSKRGSTWGCBN-UHFFFAOYSA-N -1 3 396.407 0.800 20 0 GCADHM COc1ccc(OCCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737112621 598398824 /nfs/dbraw/zinc/39/88/24/598398824.db2.gz WFDSKRGSTWGCBN-UHFFFAOYSA-N -1 3 396.407 0.800 20 0 GCADHM COc1ccc(OC)c(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737109264 598399674 /nfs/dbraw/zinc/39/96/74/598399674.db2.gz HZUJNGQNAWGTAW-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM COc1ccc(OC)c(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737109264 598399676 /nfs/dbraw/zinc/39/96/76/598399676.db2.gz HZUJNGQNAWGTAW-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1cn2ccsc2n1 ZINC000737889110 598400446 /nfs/dbraw/zinc/40/04/46/598400446.db2.gz JWMGFLKRHBMUGL-UHFFFAOYSA-N -1 3 382.409 0.622 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1cn2ccsc2n1 ZINC000737889110 598400447 /nfs/dbraw/zinc/40/04/47/598400447.db2.gz JWMGFLKRHBMUGL-UHFFFAOYSA-N -1 3 382.409 0.622 20 0 GCADHM NC(=O)Nc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737756276 598400503 /nfs/dbraw/zinc/40/05/03/598400503.db2.gz VGRVLNMGYJYTNC-UHFFFAOYSA-N -1 3 394.395 0.404 20 0 GCADHM NC(=O)Nc1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737756276 598400504 /nfs/dbraw/zinc/40/05/04/598400504.db2.gz VGRVLNMGYJYTNC-UHFFFAOYSA-N -1 3 394.395 0.404 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC1CCN(C(=O)C2CC2)CC1 ZINC000737890785 598400512 /nfs/dbraw/zinc/40/05/12/598400512.db2.gz YFDPNCNZVISASC-UHFFFAOYSA-N -1 3 397.439 0.114 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC1CCN(C(=O)C2CC2)CC1 ZINC000737890785 598400513 /nfs/dbraw/zinc/40/05/13/598400513.db2.gz YFDPNCNZVISASC-UHFFFAOYSA-N -1 3 397.439 0.114 20 0 GCADHM CCCCOC(=O)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736461071 598402067 /nfs/dbraw/zinc/40/20/67/598402067.db2.gz NUZQOHZKRSHVRX-UHFFFAOYSA-N -1 3 384.400 0.708 20 0 GCADHM CCCCOC(=O)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736461071 598402069 /nfs/dbraw/zinc/40/20/69/598402069.db2.gz NUZQOHZKRSHVRX-UHFFFAOYSA-N -1 3 384.400 0.708 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H]1Cc2ccccc2O1 ZINC000737888373 598402212 /nfs/dbraw/zinc/40/22/12/598402212.db2.gz BEAYQKARBPTKRK-OAHLLOKOSA-N -1 3 378.392 0.716 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H]1Cc2ccccc2O1 ZINC000737888373 598402213 /nfs/dbraw/zinc/40/22/13/598402213.db2.gz BEAYQKARBPTKRK-OAHLLOKOSA-N -1 3 378.392 0.716 20 0 GCADHM CCCOC(=O)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736487306 598402933 /nfs/dbraw/zinc/40/29/33/598402933.db2.gz DHANGQDWWBPRGV-UHFFFAOYSA-N -1 3 395.441 0.241 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1COc2ccccc2C1 ZINC000737888734 598403387 /nfs/dbraw/zinc/40/33/87/598403387.db2.gz DSPADGICJKBHAC-HNNXBMFYSA-N -1 3 378.392 0.716 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1COc2ccccc2C1 ZINC000737888734 598403388 /nfs/dbraw/zinc/40/33/88/598403388.db2.gz DSPADGICJKBHAC-HNNXBMFYSA-N -1 3 378.392 0.716 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC1CCC2(CC1)OCCO2 ZINC000737888463 598403513 /nfs/dbraw/zinc/40/35/13/598403513.db2.gz CSSPJWAAWCNBRK-UHFFFAOYSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC1CCC2(CC1)OCCO2 ZINC000737888463 598403516 /nfs/dbraw/zinc/40/35/16/598403516.db2.gz CSSPJWAAWCNBRK-UHFFFAOYSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC1CCCCC1 ZINC000737888339 598405024 /nfs/dbraw/zinc/40/50/24/598405024.db2.gz AXCONZUZAISGEZ-UHFFFAOYSA-N -1 3 399.455 0.552 20 0 GCADHM O=C(CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC1CCCCC1 ZINC000737888339 598405026 /nfs/dbraw/zinc/40/50/26/598405026.db2.gz AXCONZUZAISGEZ-UHFFFAOYSA-N -1 3 399.455 0.552 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000737889123 598406623 /nfs/dbraw/zinc/40/66/23/598406623.db2.gz KDULWNJTAVWWQE-LBPRGKRZSA-N -1 3 397.361 0.349 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000737889123 598406626 /nfs/dbraw/zinc/40/66/26/598406626.db2.gz KDULWNJTAVWWQE-LBPRGKRZSA-N -1 3 397.361 0.349 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(CCOc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000738358032 598407283 /nfs/dbraw/zinc/40/72/83/598407283.db2.gz UQCOFMZCNYJHDX-HNNXBMFYSA-N -1 3 392.485 0.050 20 0 GCADHM O=c1oc2ccccc2n1CCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738380531 598407317 /nfs/dbraw/zinc/40/73/17/598407317.db2.gz GWZHYMVNPJGNFA-UHFFFAOYSA-N -1 3 386.393 0.753 20 0 GCADHM O=c1oc2ccccc2n1CCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738380531 598407319 /nfs/dbraw/zinc/40/73/19/598407319.db2.gz GWZHYMVNPJGNFA-UHFFFAOYSA-N -1 3 386.393 0.753 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000735466688 598409649 /nfs/dbraw/zinc/40/96/49/598409649.db2.gz HTLKBPNRVBVPQZ-ZANVPECISA-N -1 3 390.425 0.658 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000735466688 598409650 /nfs/dbraw/zinc/40/96/50/598409650.db2.gz HTLKBPNRVBVPQZ-ZANVPECISA-N -1 3 390.425 0.658 20 0 GCADHM CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736423807 598409728 /nfs/dbraw/zinc/40/97/28/598409728.db2.gz OIUKXVUFXUWKLN-NEPJUHHUSA-N -1 3 388.428 0.833 20 0 GCADHM CCC[C@@H](C)NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736423807 598409729 /nfs/dbraw/zinc/40/97/29/598409729.db2.gz OIUKXVUFXUWKLN-NEPJUHHUSA-N -1 3 388.428 0.833 20 0 GCADHM COC(=O)c1coc(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736956620 598409768 /nfs/dbraw/zinc/40/97/68/598409768.db2.gz GLSYAOMXINUHKM-UHFFFAOYSA-N -1 3 385.336 0.720 20 0 GCADHM COC(=O)c1coc(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736956620 598409769 /nfs/dbraw/zinc/40/97/69/598409769.db2.gz GLSYAOMXINUHKM-UHFFFAOYSA-N -1 3 385.336 0.720 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736304834 598410024 /nfs/dbraw/zinc/41/00/24/598410024.db2.gz RACQSNATQZWSTJ-SECBINFHSA-N -1 3 396.454 0.721 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736304834 598410026 /nfs/dbraw/zinc/41/00/26/598410026.db2.gz RACQSNATQZWSTJ-SECBINFHSA-N -1 3 396.454 0.721 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735467780 598410263 /nfs/dbraw/zinc/41/02/63/598410263.db2.gz XUEFKAMQKOUIOQ-GFCCVEGCSA-N -1 3 376.398 0.270 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735467780 598410264 /nfs/dbraw/zinc/41/02/64/598410264.db2.gz XUEFKAMQKOUIOQ-GFCCVEGCSA-N -1 3 376.398 0.270 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736306535 598410275 /nfs/dbraw/zinc/41/02/75/598410275.db2.gz ZBIMDDYOIZGKNM-LBPRGKRZSA-N -1 3 390.425 0.660 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736306535 598410276 /nfs/dbraw/zinc/41/02/76/598410276.db2.gz ZBIMDDYOIZGKNM-LBPRGKRZSA-N -1 3 390.425 0.660 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000737735972 598410348 /nfs/dbraw/zinc/41/03/48/598410348.db2.gz FVFOFLOAHLJCTP-OAHLLOKOSA-N -1 3 398.354 0.505 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000737735972 598410349 /nfs/dbraw/zinc/41/03/49/598410349.db2.gz FVFOFLOAHLJCTP-OAHLLOKOSA-N -1 3 398.354 0.505 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccccc1F ZINC000737904407 598412201 /nfs/dbraw/zinc/41/22/01/598412201.db2.gz FAQKQPVNQJKQIC-UHFFFAOYSA-N -1 3 398.354 0.918 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccccc1F ZINC000737904407 598412202 /nfs/dbraw/zinc/41/22/02/598412202.db2.gz FAQKQPVNQJKQIC-UHFFFAOYSA-N -1 3 398.354 0.918 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc(O)cc1 ZINC000737905544 598412376 /nfs/dbraw/zinc/41/23/76/598412376.db2.gz RCSCVKQDTMXLMP-UHFFFAOYSA-N -1 3 396.363 0.484 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc(O)cc1 ZINC000737905544 598412379 /nfs/dbraw/zinc/41/23/79/598412379.db2.gz RCSCVKQDTMXLMP-UHFFFAOYSA-N -1 3 396.363 0.484 20 0 GCADHM CN(C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H]1CCOC1 ZINC000736733787 598413127 /nfs/dbraw/zinc/41/31/27/598413127.db2.gz YTIMFODUWQTDTG-VIFPVBQESA-N -1 3 382.327 0.654 20 0 GCADHM CN(C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H]1CCOC1 ZINC000736733787 598413128 /nfs/dbraw/zinc/41/31/28/598413128.db2.gz YTIMFODUWQTDTG-VIFPVBQESA-N -1 3 382.327 0.654 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736395102 598413183 /nfs/dbraw/zinc/41/31/83/598413183.db2.gz HDRMIFOCVGXAQQ-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736395102 598413184 /nfs/dbraw/zinc/41/31/84/598413184.db2.gz HDRMIFOCVGXAQQ-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=S)NCCNS(C)(=O)=O ZINC000735907281 598416776 /nfs/dbraw/zinc/41/67/76/598416776.db2.gz ZXQNOCJXQUTHIR-UHFFFAOYSA-N -1 3 399.502 0.490 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=S)NCCNS(C)(=O)=O ZINC000735907281 598416777 /nfs/dbraw/zinc/41/67/77/598416777.db2.gz ZXQNOCJXQUTHIR-UHFFFAOYSA-N -1 3 399.502 0.490 20 0 GCADHM C[C@H](CC(=O)NCCNc1ncccc1-c1nnn[n-]1)NC(=O)C1CCCC1 ZINC000735977547 598419445 /nfs/dbraw/zinc/41/94/45/598419445.db2.gz SWGCABQWRAWTMJ-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@H](CC(=O)NCCNc1ncccc1-c1nn[n-]n1)NC(=O)C1CCCC1 ZINC000735977547 598419447 /nfs/dbraw/zinc/41/94/47/598419447.db2.gz SWGCABQWRAWTMJ-GFCCVEGCSA-N -1 3 386.460 0.875 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000737024654 598419749 /nfs/dbraw/zinc/41/97/49/598419749.db2.gz MEDVYBVKLWNDDK-LBPRGKRZSA-N -1 3 388.428 0.758 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000737024654 598419751 /nfs/dbraw/zinc/41/97/51/598419751.db2.gz MEDVYBVKLWNDDK-LBPRGKRZSA-N -1 3 388.428 0.758 20 0 GCADHM c1coc(-c2nc(-c3nnn[n-]3)c(N3CCN(CCn4cncn4)CC3)o2)c1 ZINC000738448311 598422258 /nfs/dbraw/zinc/42/22/58/598422258.db2.gz NUSNRIMAIRNWNT-UHFFFAOYSA-N -1 3 382.388 0.528 20 0 GCADHM c1coc(-c2nc(-c3nn[n-]n3)c(N3CCN(CCn4cncn4)CC3)o2)c1 ZINC000738448311 598422260 /nfs/dbraw/zinc/42/22/60/598422260.db2.gz NUSNRIMAIRNWNT-UHFFFAOYSA-N -1 3 382.388 0.528 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NCc1nnnn1-c1ccccc1 ZINC000737929664 598423308 /nfs/dbraw/zinc/42/33/08/598423308.db2.gz GFCNUXKBNYMGAZ-UHFFFAOYSA-N -1 3 377.368 0.538 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NCc1nnnn1-c1ccccc1 ZINC000737929664 598423310 /nfs/dbraw/zinc/42/33/10/598423310.db2.gz GFCNUXKBNYMGAZ-UHFFFAOYSA-N -1 3 377.368 0.538 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736912127 598423436 /nfs/dbraw/zinc/42/34/36/598423436.db2.gz YZQDPTONQIIRNZ-VIFPVBQESA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736912127 598423437 /nfs/dbraw/zinc/42/34/37/598423437.db2.gz YZQDPTONQIIRNZ-VIFPVBQESA-N -1 3 392.803 0.870 20 0 GCADHM CN(CCN1CCOCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736799026 598425243 /nfs/dbraw/zinc/42/52/43/598425243.db2.gz MOEMIFVEXYFYAF-UHFFFAOYSA-N -1 3 386.865 0.473 20 0 GCADHM CN(CCN1CCOCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736799026 598425244 /nfs/dbraw/zinc/42/52/44/598425244.db2.gz MOEMIFVEXYFYAF-UHFFFAOYSA-N -1 3 386.865 0.473 20 0 GCADHM O=S(=O)(CCNc1nc2c(cc1-c1nnn[n-]1)CCC2)N1CCSCC1 ZINC000738330463 598426974 /nfs/dbraw/zinc/42/69/74/598426974.db2.gz OUEDIHWPXUCGGW-UHFFFAOYSA-N -1 3 395.514 0.541 20 0 GCADHM O=S(=O)(CCNc1nc2c(cc1-c1nn[n-]n1)CCC2)N1CCSCC1 ZINC000738330463 598426976 /nfs/dbraw/zinc/42/69/76/598426976.db2.gz OUEDIHWPXUCGGW-UHFFFAOYSA-N -1 3 395.514 0.541 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)C[C@H]2CN(C)CCO2)c(-c2nnn[n-]2)c1C ZINC000737547272 598427653 /nfs/dbraw/zinc/42/76/53/598427653.db2.gz JPPTVZWKVIRSFB-DGCLKSJQSA-N -1 3 377.449 0.666 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)C[C@H]2CN(C)CCO2)c(-c2nn[n-]n2)c1C ZINC000737547272 598427654 /nfs/dbraw/zinc/42/76/54/598427654.db2.gz JPPTVZWKVIRSFB-DGCLKSJQSA-N -1 3 377.449 0.666 20 0 GCADHM O=C(NCCS(=O)(=O)N1CCSCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738085427 598429304 /nfs/dbraw/zinc/42/93/04/598429304.db2.gz IYQBCHDVPPPZGG-UHFFFAOYSA-N -1 3 397.486 0.367 20 0 GCADHM O=C(NCCS(=O)(=O)N1CCSCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738085427 598429306 /nfs/dbraw/zinc/42/93/06/598429306.db2.gz IYQBCHDVPPPZGG-UHFFFAOYSA-N -1 3 397.486 0.367 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NC[C@H](O)COc1ccc(F)cc1 ZINC000737925421 598430459 /nfs/dbraw/zinc/43/04/59/598430459.db2.gz SMRCZPBZXYDJFH-AWEZNQCLSA-N -1 3 387.371 0.941 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NC[C@H](O)COc1ccc(F)cc1 ZINC000737925421 598430461 /nfs/dbraw/zinc/43/04/61/598430461.db2.gz SMRCZPBZXYDJFH-AWEZNQCLSA-N -1 3 387.371 0.941 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000737289081 598431490 /nfs/dbraw/zinc/43/14/90/598431490.db2.gz OMPBECHGXVQQFT-GFCCVEGCSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](CCC(N)=O)C1 ZINC000737289081 598431491 /nfs/dbraw/zinc/43/14/91/598431491.db2.gz OMPBECHGXVQQFT-GFCCVEGCSA-N -1 3 385.428 0.618 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000735562773 598432135 /nfs/dbraw/zinc/43/21/35/598432135.db2.gz RNLPULRFWLWJMC-CYBMUJFWSA-N -1 3 398.471 0.090 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000735562773 598432137 /nfs/dbraw/zinc/43/21/37/598432137.db2.gz RNLPULRFWLWJMC-CYBMUJFWSA-N -1 3 398.471 0.090 20 0 GCADHM O=C(CN1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)NC[C@@H]1CCCO1 ZINC000737873274 598432456 /nfs/dbraw/zinc/43/24/56/598432456.db2.gz MRMQLZBSKDLOIE-KRWDZBQOSA-N -1 3 385.472 0.280 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cn1 ZINC000737092622 598432957 /nfs/dbraw/zinc/43/29/57/598432957.db2.gz OGKDSMUBOKENPV-UHFFFAOYSA-N -1 3 391.395 0.968 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cn1 ZINC000737092622 598432958 /nfs/dbraw/zinc/43/29/58/598432958.db2.gz OGKDSMUBOKENPV-UHFFFAOYSA-N -1 3 391.395 0.968 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1c(C)noc1C ZINC000737058771 598433206 /nfs/dbraw/zinc/43/32/06/598433206.db2.gz OASXWAKHKRMDEC-UHFFFAOYSA-N -1 3 385.384 0.778 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1c(C)noc1C ZINC000737058771 598433208 /nfs/dbraw/zinc/43/32/08/598433208.db2.gz OASXWAKHKRMDEC-UHFFFAOYSA-N -1 3 385.384 0.778 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736098710 598434130 /nfs/dbraw/zinc/43/41/30/598434130.db2.gz SVCQRSCEEULNTM-JTQLQIEISA-N -1 3 379.388 0.045 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736098710 598434132 /nfs/dbraw/zinc/43/41/32/598434132.db2.gz SVCQRSCEEULNTM-JTQLQIEISA-N -1 3 379.388 0.045 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736237034 598434729 /nfs/dbraw/zinc/43/47/29/598434729.db2.gz NWFDKRWNVSGZAL-ZYHUDNBSSA-N -1 3 395.427 0.361 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736237034 598434730 /nfs/dbraw/zinc/43/47/30/598434730.db2.gz NWFDKRWNVSGZAL-ZYHUDNBSSA-N -1 3 395.427 0.361 20 0 GCADHM CCC(CC)(NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(N)=O ZINC000736336074 598435539 /nfs/dbraw/zinc/43/55/39/598435539.db2.gz ZDGWWBRKEDVUHJ-UHFFFAOYSA-N -1 3 383.416 0.409 20 0 GCADHM CCC(CC)(NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(N)=O ZINC000736336074 598435540 /nfs/dbraw/zinc/43/55/40/598435540.db2.gz ZDGWWBRKEDVUHJ-UHFFFAOYSA-N -1 3 383.416 0.409 20 0 GCADHM CC[C@@](C)(NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)OC ZINC000736315604 598435877 /nfs/dbraw/zinc/43/58/77/598435877.db2.gz PFRFAGNUEUETRZ-QGZVFWFLSA-N -1 3 384.400 0.706 20 0 GCADHM CC[C@@](C)(NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)OC ZINC000736315604 598435880 /nfs/dbraw/zinc/43/58/80/598435880.db2.gz PFRFAGNUEUETRZ-QGZVFWFLSA-N -1 3 384.400 0.706 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736913158 598436439 /nfs/dbraw/zinc/43/64/39/598436439.db2.gz VERWDTUMKIPZJI-NSHDSACASA-N -1 3 382.384 0.270 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736913158 598436441 /nfs/dbraw/zinc/43/64/41/598436441.db2.gz VERWDTUMKIPZJI-NSHDSACASA-N -1 3 382.384 0.270 20 0 GCADHM NC(=O)C1(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCCCC1 ZINC000737739361 598436675 /nfs/dbraw/zinc/43/66/75/598436675.db2.gz OBJYTQLCUQPYCJ-UHFFFAOYSA-N -1 3 395.427 0.553 20 0 GCADHM NC(=O)C1(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCCCC1 ZINC000737739361 598436676 /nfs/dbraw/zinc/43/66/76/598436676.db2.gz OBJYTQLCUQPYCJ-UHFFFAOYSA-N -1 3 395.427 0.553 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000737776429 598437118 /nfs/dbraw/zinc/43/71/18/598437118.db2.gz MWQULIONLBXZBC-OAHLLOKOSA-N -1 3 393.455 0.945 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCCn3nccc32)cc1 ZINC000737777291 598438542 /nfs/dbraw/zinc/43/85/42/598438542.db2.gz SVIKNZRJJWFAPM-UHFFFAOYSA-N -1 3 376.384 0.882 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCCn3nccc32)cc1 ZINC000737777291 598438544 /nfs/dbraw/zinc/43/85/44/598438544.db2.gz SVIKNZRJJWFAPM-UHFFFAOYSA-N -1 3 376.384 0.882 20 0 GCADHM COC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736957606 598439254 /nfs/dbraw/zinc/43/92/54/598439254.db2.gz TWQYQKBBALRRNJ-UHFFFAOYSA-N -1 3 394.457 0.125 20 0 GCADHM COC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736957606 598439256 /nfs/dbraw/zinc/43/92/56/598439256.db2.gz TWQYQKBBALRRNJ-UHFFFAOYSA-N -1 3 394.457 0.125 20 0 GCADHM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nnn[n-]3)cn1)C[C@@H]2O ZINC000737109580 598439892 /nfs/dbraw/zinc/43/98/92/598439892.db2.gz JTTYOUZEGCPUDP-ZDUSSCGKSA-N -1 3 382.380 0.968 20 0 GCADHM COc1ccc(OC)c2c1CN(C(=O)c1ccc(-c3nn[n-]n3)cn1)C[C@@H]2O ZINC000737109580 598439894 /nfs/dbraw/zinc/43/98/94/598439894.db2.gz JTTYOUZEGCPUDP-ZDUSSCGKSA-N -1 3 382.380 0.968 20 0 GCADHM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)cn2)N2CCOCC2)o1 ZINC000737321358 598440799 /nfs/dbraw/zinc/44/07/99/598440799.db2.gz UQOVZBPSHYAWTG-OAHLLOKOSA-N -1 3 383.412 0.966 20 0 GCADHM Cc1ccc([C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)cn2)N2CCOCC2)o1 ZINC000737321358 598440800 /nfs/dbraw/zinc/44/08/00/598440800.db2.gz UQOVZBPSHYAWTG-OAHLLOKOSA-N -1 3 383.412 0.966 20 0 GCADHM O=C(Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1)N1CCOCC1 ZINC000738157781 598444679 /nfs/dbraw/zinc/44/46/79/598444679.db2.gz AXQFKSWBLVXKKC-UHFFFAOYSA-N -1 3 393.407 0.915 20 0 GCADHM O=C(Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1)N1CCOCC1 ZINC000738157781 598444681 /nfs/dbraw/zinc/44/46/81/598444681.db2.gz AXQFKSWBLVXKKC-UHFFFAOYSA-N -1 3 393.407 0.915 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736807658 598446967 /nfs/dbraw/zinc/44/69/67/598446967.db2.gz XIQUTTJELXZCRQ-UHFFFAOYSA-N -1 3 379.424 0.622 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736807658 598446968 /nfs/dbraw/zinc/44/69/68/598446968.db2.gz XIQUTTJELXZCRQ-UHFFFAOYSA-N -1 3 379.424 0.622 20 0 GCADHM CC1=C(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C(=O)OC1(C)C ZINC000736231437 598448304 /nfs/dbraw/zinc/44/83/04/598448304.db2.gz WRMBEPJGWMKJGG-UHFFFAOYSA-N -1 3 397.439 0.999 20 0 GCADHM CC1=C(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C(=O)OC1(C)C ZINC000736231437 598448307 /nfs/dbraw/zinc/44/83/07/598448307.db2.gz WRMBEPJGWMKJGG-UHFFFAOYSA-N -1 3 397.439 0.999 20 0 GCADHM CCN1C[C@H](C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1=O ZINC000736566314 598448617 /nfs/dbraw/zinc/44/86/17/598448617.db2.gz YSSCZCMMRQGZNC-CYBMUJFWSA-N -1 3 384.444 0.215 20 0 GCADHM CCN1C[C@H](C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1=O ZINC000736566314 598448619 /nfs/dbraw/zinc/44/86/19/598448619.db2.gz YSSCZCMMRQGZNC-CYBMUJFWSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC000735474315 598449303 /nfs/dbraw/zinc/44/93/03/598449303.db2.gz IWMOQBPXPJRQRW-INIZCTEOSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC000735474315 598449305 /nfs/dbraw/zinc/44/93/05/598449305.db2.gz IWMOQBPXPJRQRW-INIZCTEOSA-N -1 3 386.460 0.507 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CCc2ccccn2)CC1 ZINC000738347278 598451477 /nfs/dbraw/zinc/45/14/77/598451477.db2.gz FKKHGDBDCOSYQH-UHFFFAOYSA-N -1 3 399.480 0.811 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CCc2ccccn2)CC1 ZINC000738347278 598451478 /nfs/dbraw/zinc/45/14/78/598451478.db2.gz FKKHGDBDCOSYQH-UHFFFAOYSA-N -1 3 399.480 0.811 20 0 GCADHM Cn1ncc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1C(F)F ZINC000737623138 598452353 /nfs/dbraw/zinc/45/23/53/598452353.db2.gz QABTUNSARPZQDU-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM Cn1ncc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1C(F)F ZINC000737623138 598452355 /nfs/dbraw/zinc/45/23/55/598452355.db2.gz QABTUNSARPZQDU-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CSC[C@@H]1C(=O)N(C)C ZINC000736171170 598452937 /nfs/dbraw/zinc/45/29/37/598452937.db2.gz UJUGJPLRQPFBCI-GXFFZTMASA-N -1 3 376.442 0.624 20 0 GCADHM CCCC(=O)N1CSC[C@H]1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736412503 598453278 /nfs/dbraw/zinc/45/32/78/598453278.db2.gz QFDJSEKLTATJJG-LBPRGKRZSA-N -1 3 390.473 0.491 20 0 GCADHM CCCC(=O)N1CSC[C@H]1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736412503 598453279 /nfs/dbraw/zinc/45/32/79/598453279.db2.gz QFDJSEKLTATJJG-LBPRGKRZSA-N -1 3 390.473 0.491 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CSC[C@@H]1C(=O)N(C)C ZINC000737022909 598453592 /nfs/dbraw/zinc/45/35/92/598453592.db2.gz DTPXZWYSEOSEDV-LLVKDONJSA-N -1 3 392.441 0.244 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CSC[C@@H]1C(=O)N(C)C ZINC000737022909 598453594 /nfs/dbraw/zinc/45/35/94/598453594.db2.gz DTPXZWYSEOSEDV-LLVKDONJSA-N -1 3 392.441 0.244 20 0 GCADHM Cc1cc(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n(CCO)n1 ZINC000737272022 598454256 /nfs/dbraw/zinc/45/42/56/598454256.db2.gz PBYDHMXPIYHZQY-UHFFFAOYSA-N -1 3 390.791 0.595 20 0 GCADHM Cc1cc(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n(CCO)n1 ZINC000737272022 598454258 /nfs/dbraw/zinc/45/42/58/598454258.db2.gz PBYDHMXPIYHZQY-UHFFFAOYSA-N -1 3 390.791 0.595 20 0 GCADHM CCOC(=O)C(C)(C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736583426 598455776 /nfs/dbraw/zinc/45/57/76/598455776.db2.gz CJGMQSDGGQTPCE-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM CCOC(=O)C(C)(C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736583426 598455777 /nfs/dbraw/zinc/45/57/77/598455777.db2.gz CJGMQSDGGQTPCE-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM NC(=O)c1csc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737763756 598456362 /nfs/dbraw/zinc/45/63/62/598456362.db2.gz GXUGNMQPLNQEAU-UHFFFAOYSA-N -1 3 398.452 0.821 20 0 GCADHM NC(=O)c1csc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737763756 598456363 /nfs/dbraw/zinc/45/63/63/598456363.db2.gz GXUGNMQPLNQEAU-UHFFFAOYSA-N -1 3 398.452 0.821 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1n[nH]c2c1CCC2 ZINC000738033910 598456943 /nfs/dbraw/zinc/45/69/43/598456943.db2.gz CHUOUYAWEOYXCR-UHFFFAOYSA-N -1 3 379.428 0.872 20 0 GCADHM C[C@]1(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)NC(=O)NC1=O ZINC000736224273 598462665 /nfs/dbraw/zinc/46/26/65/598462665.db2.gz ROFYFZUVAYUEBB-GOSISDBHSA-N -1 3 392.379 0.246 20 0 GCADHM C[C@]1(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)NC(=O)NC1=O ZINC000736224273 598462667 /nfs/dbraw/zinc/46/26/67/598462667.db2.gz ROFYFZUVAYUEBB-GOSISDBHSA-N -1 3 392.379 0.246 20 0 GCADHM CCn1cc(S(=O)(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000736723972 598464873 /nfs/dbraw/zinc/46/48/73/598464873.db2.gz ZYNUNVYFMVBBMA-UHFFFAOYSA-N -1 3 388.457 0.594 20 0 GCADHM CCn1cc(S(=O)(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000736723972 598464874 /nfs/dbraw/zinc/46/48/74/598464874.db2.gz ZYNUNVYFMVBBMA-UHFFFAOYSA-N -1 3 388.457 0.594 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000738261188 598465450 /nfs/dbraw/zinc/46/54/50/598465450.db2.gz JXBSGRDXLCCMFX-KRWDZBQOSA-N -1 3 379.424 0.753 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000738261188 598465451 /nfs/dbraw/zinc/46/54/51/598465451.db2.gz JXBSGRDXLCCMFX-KRWDZBQOSA-N -1 3 379.424 0.753 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737745597 598466978 /nfs/dbraw/zinc/46/69/78/598466978.db2.gz PVIGAWNNCCBYLD-KRWDZBQOSA-N -1 3 377.408 0.890 20 0 GCADHM C[C@H](Cn1ccnc1)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736100418 598469483 /nfs/dbraw/zinc/46/94/83/598469483.db2.gz YOTGZNPRABKRKT-CYBMUJFWSA-N -1 3 396.459 0.815 20 0 GCADHM C[C@H](Cn1ccnc1)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736100418 598469486 /nfs/dbraw/zinc/46/94/86/598469486.db2.gz YOTGZNPRABKRKT-CYBMUJFWSA-N -1 3 396.459 0.815 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737740886 598470658 /nfs/dbraw/zinc/47/06/58/598470658.db2.gz BAEYOVYOVOUQRZ-GOSISDBHSA-N -1 3 391.435 0.568 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737740886 598470659 /nfs/dbraw/zinc/47/06/59/598470659.db2.gz BAEYOVYOVOUQRZ-GOSISDBHSA-N -1 3 391.435 0.568 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000737745419 598470816 /nfs/dbraw/zinc/47/08/16/598470816.db2.gz NMFFGUNRICGSSL-AWEZNQCLSA-N -1 3 383.437 0.951 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000737745419 598470818 /nfs/dbraw/zinc/47/08/18/598470818.db2.gz NMFFGUNRICGSSL-AWEZNQCLSA-N -1 3 383.437 0.951 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736830924 598471512 /nfs/dbraw/zinc/47/15/12/598471512.db2.gz FFGHMHRSBVRSJN-UHFFFAOYSA-N -1 3 396.459 0.806 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736830924 598471513 /nfs/dbraw/zinc/47/15/13/598471513.db2.gz FFGHMHRSBVRSJN-UHFFFAOYSA-N -1 3 396.459 0.806 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743770 598472417 /nfs/dbraw/zinc/47/24/17/598472417.db2.gz JTNPCFRNHVUHKN-OAHLLOKOSA-N -1 3 384.421 0.640 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743770 598472419 /nfs/dbraw/zinc/47/24/19/598472419.db2.gz JTNPCFRNHVUHKN-OAHLLOKOSA-N -1 3 384.421 0.640 20 0 GCADHM Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C(N)=O ZINC000737356851 598473323 /nfs/dbraw/zinc/47/33/23/598473323.db2.gz IQTBQRCCIDVNQJ-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC000737356851 598473324 /nfs/dbraw/zinc/47/33/24/598473324.db2.gz IQTBQRCCIDVNQJ-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM O=C(NCCn1ncnn1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000823229600 607358223 /nfs/dbraw/zinc/35/82/23/607358223.db2.gz ZYZYRXONTJJDFO-UHFFFAOYSA-N -1 3 391.395 0.862 20 0 GCADHM O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738034489 598476935 /nfs/dbraw/zinc/47/69/35/598476935.db2.gz GAJYOJPEUWQZMS-CYBMUJFWSA-N -1 3 376.442 0.728 20 0 GCADHM O=C(N[C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738034489 598476937 /nfs/dbraw/zinc/47/69/37/598476937.db2.gz GAJYOJPEUWQZMS-CYBMUJFWSA-N -1 3 376.442 0.728 20 0 GCADHM O=C(NCCn1ncnn1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000823229600 607358225 /nfs/dbraw/zinc/35/82/25/607358225.db2.gz ZYZYRXONTJJDFO-UHFFFAOYSA-N -1 3 391.395 0.862 20 0 GCADHM CC(C)(CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(N)=O ZINC000735670518 598477887 /nfs/dbraw/zinc/47/78/87/598477887.db2.gz SAKXHQGPWQMLSE-UHFFFAOYSA-N -1 3 387.448 0.041 20 0 GCADHM CC(C)(CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(N)=O ZINC000735670518 598477888 /nfs/dbraw/zinc/47/78/88/598477888.db2.gz SAKXHQGPWQMLSE-UHFFFAOYSA-N -1 3 387.448 0.041 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)NC[C@H]1COc2ccccc2O1 ZINC000737907594 598478051 /nfs/dbraw/zinc/47/80/51/598478051.db2.gz FDCFJKWFQZOLMK-LBPRGKRZSA-N -1 3 396.363 0.375 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)NC[C@H]1COc2ccccc2O1 ZINC000737907594 598478053 /nfs/dbraw/zinc/47/80/53/598478053.db2.gz FDCFJKWFQZOLMK-LBPRGKRZSA-N -1 3 396.363 0.375 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)NC(=O)NCc1ccccc1 ZINC000736157865 598479113 /nfs/dbraw/zinc/47/91/13/598479113.db2.gz DCTBSAAGDHSOKD-LLVKDONJSA-N -1 3 395.379 0.833 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)NC(=O)NCc1ccccc1 ZINC000736157865 598479114 /nfs/dbraw/zinc/47/91/14/598479114.db2.gz DCTBSAAGDHSOKD-LLVKDONJSA-N -1 3 395.379 0.833 20 0 GCADHM O=C(NC[C@H](O)c1ccco1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738042248 598482278 /nfs/dbraw/zinc/48/22/78/598482278.db2.gz XTENDNBVUWAYRS-AWEZNQCLSA-N -1 3 398.427 0.856 20 0 GCADHM O=C(NC[C@H](O)c1ccco1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738042248 598482280 /nfs/dbraw/zinc/48/22/80/598482280.db2.gz XTENDNBVUWAYRS-AWEZNQCLSA-N -1 3 398.427 0.856 20 0 GCADHM COCc1ccccc1CNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737022505 598482459 /nfs/dbraw/zinc/48/24/59/598482459.db2.gz VDLGNIXNSIILSV-UHFFFAOYSA-N -1 3 382.380 0.881 20 0 GCADHM COCc1ccccc1CNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737022505 598482462 /nfs/dbraw/zinc/48/24/62/598482462.db2.gz VDLGNIXNSIILSV-UHFFFAOYSA-N -1 3 382.380 0.881 20 0 GCADHM COC(=O)C1(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC000736909527 598482708 /nfs/dbraw/zinc/48/27/08/598482708.db2.gz QKCZNTAKXKGUFR-UHFFFAOYSA-N -1 3 388.384 0.411 20 0 GCADHM COC(=O)C1(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC000736909527 598482709 /nfs/dbraw/zinc/48/27/09/598482709.db2.gz QKCZNTAKXKGUFR-UHFFFAOYSA-N -1 3 388.384 0.411 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccc2c(c1)NC(=O)CO2 ZINC000738307323 598483100 /nfs/dbraw/zinc/48/31/00/598483100.db2.gz QWHOCBUNNXAUQD-UHFFFAOYSA-N -1 3 380.320 0.632 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccc2c(c1)NC(=O)CO2 ZINC000738307323 598483102 /nfs/dbraw/zinc/48/31/02/598483102.db2.gz QWHOCBUNNXAUQD-UHFFFAOYSA-N -1 3 380.320 0.632 20 0 GCADHM C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736161647 598490874 /nfs/dbraw/zinc/49/08/74/598490874.db2.gz XEYTZUUQQCWNMT-SNVBAGLBSA-N -1 3 380.368 0.615 20 0 GCADHM C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736161647 598490875 /nfs/dbraw/zinc/49/08/75/598490875.db2.gz XEYTZUUQQCWNMT-SNVBAGLBSA-N -1 3 380.368 0.615 20 0 GCADHM C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736224676 598494534 /nfs/dbraw/zinc/49/45/34/598494534.db2.gz UVFZGHAGFJRHRT-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736224676 598494536 /nfs/dbraw/zinc/49/45/36/598494536.db2.gz UVFZGHAGFJRHRT-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735684503 598507656 /nfs/dbraw/zinc/50/76/56/598507656.db2.gz DTWOGDNTKLCAMP-HNNXBMFYSA-N -1 3 392.485 0.933 20 0 GCADHM CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735684503 598507657 /nfs/dbraw/zinc/50/76/57/598507657.db2.gz DTWOGDNTKLCAMP-HNNXBMFYSA-N -1 3 392.485 0.933 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000738319383 598507860 /nfs/dbraw/zinc/50/78/60/598507860.db2.gz OVUIJVCMKGDQPL-CQSZACIVSA-N -1 3 391.457 0.186 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000738319383 598507862 /nfs/dbraw/zinc/50/78/62/598507862.db2.gz OVUIJVCMKGDQPL-CQSZACIVSA-N -1 3 391.457 0.186 20 0 GCADHM C[C@@](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)(C(N)=O)c1ccccc1 ZINC000736130813 598508076 /nfs/dbraw/zinc/50/80/76/598508076.db2.gz OBDAEQULPHODAV-KRWDZBQOSA-N -1 3 386.437 0.687 20 0 GCADHM C[C@@](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)(C(N)=O)c1ccccc1 ZINC000736130813 598508078 /nfs/dbraw/zinc/50/80/78/598508078.db2.gz OBDAEQULPHODAV-KRWDZBQOSA-N -1 3 386.437 0.687 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCS(=O)(=O)CC1 ZINC000735550190 598508749 /nfs/dbraw/zinc/50/87/49/598508749.db2.gz FWKBNNUZFHZESW-VIFPVBQESA-N -1 3 384.849 0.578 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCS(=O)(=O)CC1 ZINC000735550190 598508752 /nfs/dbraw/zinc/50/87/52/598508752.db2.gz FWKBNNUZFHZESW-VIFPVBQESA-N -1 3 384.849 0.578 20 0 GCADHM C[C@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736227328 598509167 /nfs/dbraw/zinc/50/91/67/598509167.db2.gz BYHVCZMFORMELH-JTQLQIEISA-N -1 3 389.485 0.956 20 0 GCADHM C[C@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736227328 598509168 /nfs/dbraw/zinc/50/91/68/598509168.db2.gz BYHVCZMFORMELH-JTQLQIEISA-N -1 3 389.485 0.956 20 0 GCADHM CC(C)CCC(=O)NCC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000735794788 598510370 /nfs/dbraw/zinc/51/03/70/598510370.db2.gz DUPQGUQKHWINSS-UHFFFAOYSA-N -1 3 380.430 0.962 20 0 GCADHM CC(C)CCC(=O)NCC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000735794788 598510372 /nfs/dbraw/zinc/51/03/72/598510372.db2.gz DUPQGUQKHWINSS-UHFFFAOYSA-N -1 3 380.430 0.962 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)N1CCOCC1 ZINC000736132342 598510391 /nfs/dbraw/zinc/51/03/91/598510391.db2.gz VHQMUFVBIWEBGM-CHWSQXEVSA-N -1 3 380.474 0.395 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)N1CCOCC1 ZINC000736132342 598510393 /nfs/dbraw/zinc/51/03/93/598510393.db2.gz VHQMUFVBIWEBGM-CHWSQXEVSA-N -1 3 380.474 0.395 20 0 GCADHM CNC(=O)CCN(C)C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736870837 598510942 /nfs/dbraw/zinc/51/09/42/598510942.db2.gz LVWPZSAXGLFYCQ-UHFFFAOYSA-N -1 3 376.417 0.629 20 0 GCADHM CNC(=O)CCN(C)C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736870837 598510944 /nfs/dbraw/zinc/51/09/44/598510944.db2.gz LVWPZSAXGLFYCQ-UHFFFAOYSA-N -1 3 376.417 0.629 20 0 GCADHM CN(C)S(=O)(=O)N(C)CCOC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736771765 598515738 /nfs/dbraw/zinc/51/57/38/598515738.db2.gz QVIDSUULQVGKIB-UHFFFAOYSA-N -1 3 382.446 0.081 20 0 GCADHM CN(C)S(=O)(=O)N(C)CCOC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736771765 598515740 /nfs/dbraw/zinc/51/57/40/598515740.db2.gz QVIDSUULQVGKIB-UHFFFAOYSA-N -1 3 382.446 0.081 20 0 GCADHM CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736660232 598526028 /nfs/dbraw/zinc/52/60/28/598526028.db2.gz ZPGQJAYTIDHPCU-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736660232 598526030 /nfs/dbraw/zinc/52/60/30/598526030.db2.gz ZPGQJAYTIDHPCU-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM O=C(C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1)N1CCCC1 ZINC000737791543 598529984 /nfs/dbraw/zinc/52/99/84/598529984.db2.gz LJPRWNRCOBTFRY-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM O=C(C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1)N1CCCC1 ZINC000737791543 598529985 /nfs/dbraw/zinc/52/99/85/598529985.db2.gz LJPRWNRCOBTFRY-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CC(=O)NCC2CCC2)C1=O ZINC000736224259 598531243 /nfs/dbraw/zinc/53/12/43/598531243.db2.gz RHHYSVFUVNARTJ-SFHVURJKSA-N -1 3 383.412 0.550 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CC(=O)NCC2CCC2)C1=O ZINC000736224259 598531245 /nfs/dbraw/zinc/53/12/45/598531245.db2.gz RHHYSVFUVNARTJ-SFHVURJKSA-N -1 3 383.412 0.550 20 0 GCADHM CN(C)CCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCS(C)(=O)=O ZINC000736767089 598533282 /nfs/dbraw/zinc/53/32/82/598533282.db2.gz LCIOMBMWZBFHSW-UHFFFAOYSA-N -1 3 394.501 0.582 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737161198 598534248 /nfs/dbraw/zinc/53/42/48/598534248.db2.gz ILXHGMSSPOFYFK-UHFFFAOYSA-N -1 3 392.485 0.336 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737161198 598534250 /nfs/dbraw/zinc/53/42/50/598534250.db2.gz ILXHGMSSPOFYFK-UHFFFAOYSA-N -1 3 392.485 0.336 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735748922 598536099 /nfs/dbraw/zinc/53/60/99/598536099.db2.gz ZAORPOGDMFWRIU-GFCCVEGCSA-N -1 3 391.819 0.442 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735748922 598536100 /nfs/dbraw/zinc/53/61/00/598536100.db2.gz ZAORPOGDMFWRIU-GFCCVEGCSA-N -1 3 391.819 0.442 20 0 GCADHM C[C@H](NC(=O)COCC(=O)NCc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736105223 598536222 /nfs/dbraw/zinc/53/62/22/598536222.db2.gz MVLAUTUSHRAZMK-ZDUSSCGKSA-N -1 3 395.423 0.772 20 0 GCADHM C[C@H](NC(=O)COCC(=O)NCc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736105223 598536224 /nfs/dbraw/zinc/53/62/24/598536224.db2.gz MVLAUTUSHRAZMK-ZDUSSCGKSA-N -1 3 395.423 0.772 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737160802 598536303 /nfs/dbraw/zinc/53/63/03/598536303.db2.gz FHHWYVNSLVKLPO-UHFFFAOYSA-N -1 3 392.485 0.730 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737160802 598536305 /nfs/dbraw/zinc/53/63/05/598536305.db2.gz FHHWYVNSLVKLPO-UHFFFAOYSA-N -1 3 392.485 0.730 20 0 GCADHM O=C(NCc1nccn1CC(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738122884 598536892 /nfs/dbraw/zinc/53/68/92/598536892.db2.gz KGXXTEJENFAYSM-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM O=C(NCc1nccn1CC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738122884 598536894 /nfs/dbraw/zinc/53/68/94/598536894.db2.gz KGXXTEJENFAYSM-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM NC(=O)C1CCC(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737741542 598542685 /nfs/dbraw/zinc/54/26/85/598542685.db2.gz YLPNBKAMNZUWHB-PXCJXSSVSA-N -1 3 383.456 0.996 20 0 GCADHM COCCN1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CC1=O ZINC000737007570 598545359 /nfs/dbraw/zinc/54/53/59/598545359.db2.gz MXFCWMIBUALSQL-SNVBAGLBSA-N -1 3 396.354 0.902 20 0 GCADHM COCCN1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1=O ZINC000737007570 598545360 /nfs/dbraw/zinc/54/53/60/598545360.db2.gz MXFCWMIBUALSQL-SNVBAGLBSA-N -1 3 396.354 0.902 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000736504164 598547602 /nfs/dbraw/zinc/54/76/02/598547602.db2.gz ARWWMMXKEQDGDR-SNVBAGLBSA-N -1 3 383.405 0.420 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000736504164 598547604 /nfs/dbraw/zinc/54/76/04/598547604.db2.gz ARWWMMXKEQDGDR-SNVBAGLBSA-N -1 3 383.405 0.420 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736302606 598547898 /nfs/dbraw/zinc/54/78/98/598547898.db2.gz JECMFZBGJHCWBP-LLVKDONJSA-N -1 3 376.446 0.101 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736302606 598547900 /nfs/dbraw/zinc/54/79/00/598547900.db2.gz JECMFZBGJHCWBP-LLVKDONJSA-N -1 3 376.446 0.101 20 0 GCADHM CCOC(=O)C1=C(COc2ccc(-c3nnn[n-]3)c(F)c2)NC(=O)N[C@@H]1C ZINC000736590506 598549271 /nfs/dbraw/zinc/54/92/71/598549271.db2.gz IPSMZAVLTSOYCH-MRVPVSSYSA-N -1 3 376.348 0.903 20 0 GCADHM CCOC(=O)C1=C(COc2ccc(-c3nn[n-]n3)c(F)c2)NC(=O)N[C@@H]1C ZINC000736590506 598549273 /nfs/dbraw/zinc/54/92/73/598549273.db2.gz IPSMZAVLTSOYCH-MRVPVSSYSA-N -1 3 376.348 0.903 20 0 GCADHM CN1C[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)CC1=O ZINC000736848116 598549762 /nfs/dbraw/zinc/54/97/62/598549762.db2.gz YHTLXVUZKPBVPL-GFCCVEGCSA-N -1 3 382.380 0.999 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000737025974 598555899 /nfs/dbraw/zinc/55/58/99/598555899.db2.gz RTVHYCSXOAGZJU-CYBMUJFWSA-N -1 3 389.412 0.866 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000737025974 598555901 /nfs/dbraw/zinc/55/59/01/598555901.db2.gz RTVHYCSXOAGZJU-CYBMUJFWSA-N -1 3 389.412 0.866 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](C2OCCO2)C1 ZINC000738040779 598556570 /nfs/dbraw/zinc/55/65/70/598556570.db2.gz WMEGNRNCJQFRNY-CQSZACIVSA-N -1 3 386.412 0.208 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](C2OCCO2)C1 ZINC000738040779 598556572 /nfs/dbraw/zinc/55/65/72/598556572.db2.gz WMEGNRNCJQFRNY-CQSZACIVSA-N -1 3 386.412 0.208 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)NC1CCOCC1 ZINC000736169806 598557014 /nfs/dbraw/zinc/55/70/14/598557014.db2.gz PJJLIPZLPOOWCQ-LLVKDONJSA-N -1 3 375.385 0.472 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCC(=O)NC1CCOCC1 ZINC000736189077 598557093 /nfs/dbraw/zinc/55/70/93/598557093.db2.gz QUARCUDQJFCLKA-NSHDSACASA-N -1 3 375.385 0.472 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCC(=O)NC1CCOCC1 ZINC000736189077 598557095 /nfs/dbraw/zinc/55/70/95/598557095.db2.gz QUARCUDQJFCLKA-NSHDSACASA-N -1 3 375.385 0.472 20 0 GCADHM Cn1cc(NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cn1 ZINC000737612472 598564262 /nfs/dbraw/zinc/56/42/62/598564262.db2.gz ZIBGNCLTSQEGHQ-UHFFFAOYSA-N -1 3 378.299 0.779 20 0 GCADHM Cn1cc(NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cn1 ZINC000737612472 598564263 /nfs/dbraw/zinc/56/42/63/598564263.db2.gz ZIBGNCLTSQEGHQ-UHFFFAOYSA-N -1 3 378.299 0.779 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000738139219 598564292 /nfs/dbraw/zinc/56/42/92/598564292.db2.gz MSJQSHGXYKNSHG-VHSXEESVSA-N -1 3 396.354 0.826 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000738139219 598564293 /nfs/dbraw/zinc/56/42/93/598564293.db2.gz MSJQSHGXYKNSHG-VHSXEESVSA-N -1 3 396.354 0.826 20 0 GCADHM O=C(CN1CCSC1=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737884540 598564317 /nfs/dbraw/zinc/56/43/17/598564317.db2.gz OCVGXBYZWRIPJS-UHFFFAOYSA-N -1 3 387.469 0.680 20 0 GCADHM O=C(NC[C@H]1CCCOC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738049801 598564331 /nfs/dbraw/zinc/56/43/31/598564331.db2.gz LGKQOLBGUANWKL-SECBINFHSA-N -1 3 396.354 0.949 20 0 GCADHM O=C(NC[C@H]1CCCOC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738049801 598564333 /nfs/dbraw/zinc/56/43/33/598564333.db2.gz LGKQOLBGUANWKL-SECBINFHSA-N -1 3 396.354 0.949 20 0 GCADHM O=C(NCCn1ccnc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738094850 598564388 /nfs/dbraw/zinc/56/43/88/598564388.db2.gz MZSPBSNPEXVTQA-UHFFFAOYSA-N -1 3 392.326 0.420 20 0 GCADHM O=C(NC[C@@H]1CCCO1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000738049502 598564630 /nfs/dbraw/zinc/56/46/30/598564630.db2.gz JPOIXIRDQFLTHV-VIFPVBQESA-N -1 3 382.327 0.702 20 0 GCADHM O=C(NC[C@@H]1CCCO1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738049502 598564632 /nfs/dbraw/zinc/56/46/32/598564632.db2.gz JPOIXIRDQFLTHV-VIFPVBQESA-N -1 3 382.327 0.702 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735798897 598564932 /nfs/dbraw/zinc/56/49/32/598564932.db2.gz HCQCYGXLNVTSNO-SNVBAGLBSA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735798897 598564933 /nfs/dbraw/zinc/56/49/33/598564933.db2.gz HCQCYGXLNVTSNO-SNVBAGLBSA-N -1 3 398.370 0.930 20 0 GCADHM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737744731 598565460 /nfs/dbraw/zinc/56/54/60/598565460.db2.gz ATHOWXBYHVNIFW-UHFFFAOYSA-N -1 3 379.380 0.724 20 0 GCADHM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737744731 598565461 /nfs/dbraw/zinc/56/54/61/598565461.db2.gz ATHOWXBYHVNIFW-UHFFFAOYSA-N -1 3 379.380 0.724 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCC(=O)NC(C)(C)C ZINC000737056909 598565592 /nfs/dbraw/zinc/56/55/92/598565592.db2.gz DKGKQYIIYROEQB-UHFFFAOYSA-N -1 3 389.416 0.235 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCC(=O)NC(C)(C)C ZINC000737056909 598565594 /nfs/dbraw/zinc/56/55/94/598565594.db2.gz DKGKQYIIYROEQB-UHFFFAOYSA-N -1 3 389.416 0.235 20 0 GCADHM NS(=O)(=O)C1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737766139 598568357 /nfs/dbraw/zinc/56/83/57/598568357.db2.gz YHRAFCHOZAVALC-UHFFFAOYSA-N -1 3 399.864 0.212 20 0 GCADHM NS(=O)(=O)C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737766139 598568358 /nfs/dbraw/zinc/56/83/58/598568358.db2.gz YHRAFCHOZAVALC-UHFFFAOYSA-N -1 3 399.864 0.212 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NC[C@H](O)COc1ccc(F)cc1 ZINC000737925653 598568734 /nfs/dbraw/zinc/56/87/34/598568734.db2.gz WOQWHLIYWTYUNM-ZDUSSCGKSA-N -1 3 387.371 0.941 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NC[C@H](O)COc1ccc(F)cc1 ZINC000737925653 598568736 /nfs/dbraw/zinc/56/87/36/598568736.db2.gz WOQWHLIYWTYUNM-ZDUSSCGKSA-N -1 3 387.371 0.941 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ncc(Br)cn1 ZINC000736798413 598570946 /nfs/dbraw/zinc/57/09/46/598570946.db2.gz ZHERDQVVUBGUHR-UHFFFAOYSA-N -1 3 379.226 0.794 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738037452 598576452 /nfs/dbraw/zinc/57/64/52/598576452.db2.gz VQKWWRXEVUBVHT-GXTWGEPZSA-N -1 3 376.442 0.139 20 0 GCADHM O=C(C1CC1)N1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737782480 598577822 /nfs/dbraw/zinc/57/78/22/598577822.db2.gz GHTHCANSJUOGNU-QGZVFWFLSA-N -1 3 395.467 0.916 20 0 GCADHM O=C(CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NCC(F)(F)F ZINC000737889863 598579282 /nfs/dbraw/zinc/57/92/82/598579282.db2.gz SNNUWWKBAGARED-LBPRGKRZSA-N -1 3 397.361 0.630 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000736009008 598580370 /nfs/dbraw/zinc/58/03/70/598580370.db2.gz VOWIPTQXGBGVRH-WMLDXEAASA-N -1 3 385.472 0.672 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CSCN1C(=O)c1cc[n+]([O-])cc1 ZINC000738151969 598586956 /nfs/dbraw/zinc/58/69/56/598586956.db2.gz MKDSCYKEBCWJIC-CQSZACIVSA-N -1 3 397.420 0.654 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CSCN1C(=O)c1cc[n+]([O-])cc1 ZINC000738151969 598586958 /nfs/dbraw/zinc/58/69/58/598586958.db2.gz MKDSCYKEBCWJIC-CQSZACIVSA-N -1 3 397.420 0.654 20 0 GCADHM NC(=O)C1(C(=O)N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)CC1 ZINC000737738441 598589861 /nfs/dbraw/zinc/58/98/61/598589861.db2.gz JMSKJJBEEKYEQU-UHFFFAOYSA-N -1 3 392.423 0.329 20 0 GCADHM NC(=O)C1(C(=O)N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)CC1 ZINC000737738441 598589863 /nfs/dbraw/zinc/58/98/63/598589863.db2.gz JMSKJJBEEKYEQU-UHFFFAOYSA-N -1 3 392.423 0.329 20 0 GCADHM c1cc(-c2nnn[n-]2)cc(N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)n1 ZINC000738404372 598592987 /nfs/dbraw/zinc/59/29/87/598592987.db2.gz DCQJIBFEJBIGHL-UHFFFAOYSA-N -1 3 389.427 0.903 20 0 GCADHM c1cc(-c2nn[n-]n2)cc(N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)n1 ZINC000738404372 598592988 /nfs/dbraw/zinc/59/29/88/598592988.db2.gz DCQJIBFEJBIGHL-UHFFFAOYSA-N -1 3 389.427 0.903 20 0 GCADHM c1cc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn2c1nnc2C1CC1 ZINC000738413834 598593429 /nfs/dbraw/zinc/59/34/29/598593429.db2.gz YLXOAIJHDLHGAY-UHFFFAOYSA-N -1 3 389.427 0.903 20 0 GCADHM c1cc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn2c1nnc2C1CC1 ZINC000738413834 598593431 /nfs/dbraw/zinc/59/34/31/598593431.db2.gz YLXOAIJHDLHGAY-UHFFFAOYSA-N -1 3 389.427 0.903 20 0 GCADHM CNC(=O)Cn1cc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736879013 598594932 /nfs/dbraw/zinc/59/49/32/598594932.db2.gz NNIRZVAVMUMUMK-OAHLLOKOSA-N -1 3 395.427 0.417 20 0 GCADHM NC(=O)Cn1cc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737758923 598595448 /nfs/dbraw/zinc/59/54/48/598595448.db2.gz OSVYVECQEUWZOB-AWEZNQCLSA-N -1 3 381.400 0.156 20 0 GCADHM O=C(NCCc1nnc2n1CCC2)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738094523 598595503 /nfs/dbraw/zinc/59/55/03/598595503.db2.gz JOKYYBXNXMPMBU-OAHLLOKOSA-N -1 3 393.455 0.732 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C[C@H]1CCOC1 ZINC000737003124 598595680 /nfs/dbraw/zinc/59/56/80/598595680.db2.gz UERKNURXBZCPKO-AWEZNQCLSA-N -1 3 381.458 0.681 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C[C@H]1CCOC1 ZINC000737003124 598595681 /nfs/dbraw/zinc/59/56/81/598595681.db2.gz UERKNURXBZCPKO-AWEZNQCLSA-N -1 3 381.458 0.681 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1c1ccccc1 ZINC000738298056 598597420 /nfs/dbraw/zinc/59/74/20/598597420.db2.gz VRRVMIQVGSRWFG-HNNXBMFYSA-N -1 3 384.421 0.951 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1c1ccccc1 ZINC000738298056 598597422 /nfs/dbraw/zinc/59/74/22/598597422.db2.gz VRRVMIQVGSRWFG-HNNXBMFYSA-N -1 3 384.421 0.951 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738340339 598597440 /nfs/dbraw/zinc/59/74/40/598597440.db2.gz ZHQHWWIFEDSAFO-SNVBAGLBSA-N -1 3 387.849 0.852 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738340339 598597442 /nfs/dbraw/zinc/59/74/42/598597442.db2.gz ZHQHWWIFEDSAFO-SNVBAGLBSA-N -1 3 387.849 0.852 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000736820859 598598091 /nfs/dbraw/zinc/59/80/91/598598091.db2.gz QOMBAJBVCMUUKW-UHFFFAOYSA-N -1 3 381.462 0.336 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000736820859 598598093 /nfs/dbraw/zinc/59/80/93/598598093.db2.gz QOMBAJBVCMUUKW-UHFFFAOYSA-N -1 3 381.462 0.336 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000736633563 598599332 /nfs/dbraw/zinc/59/93/32/598599332.db2.gz DEKUQDGCDAJAAN-UHFFFAOYSA-N -1 3 397.461 0.715 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000736633563 598599333 /nfs/dbraw/zinc/59/93/33/598599333.db2.gz DEKUQDGCDAJAAN-UHFFFAOYSA-N -1 3 397.461 0.715 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@@H](OCCO)C1 ZINC000821700109 607362309 /nfs/dbraw/zinc/36/23/09/607362309.db2.gz CZBJDOBKIYOTED-CYBMUJFWSA-N -1 3 377.401 0.254 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@@H](OCCO)C1 ZINC000821700109 607362310 /nfs/dbraw/zinc/36/23/10/607362310.db2.gz CZBJDOBKIYOTED-CYBMUJFWSA-N -1 3 377.401 0.254 20 0 GCADHM O=C(NCCOC[C@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738081613 598602257 /nfs/dbraw/zinc/60/22/57/598602257.db2.gz FLFGWQITLPGSAE-JTQLQIEISA-N -1 3 378.364 0.114 20 0 GCADHM O=C(NCCOC[C@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738081613 598602258 /nfs/dbraw/zinc/60/22/58/598602258.db2.gz FLFGWQITLPGSAE-JTQLQIEISA-N -1 3 378.364 0.114 20 0 GCADHM Cc1nn2c(nc(C)cc2C)c1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737257223 598602548 /nfs/dbraw/zinc/60/25/48/598602548.db2.gz RENVDOQUWURMLM-UHFFFAOYSA-N -1 3 382.388 0.470 20 0 GCADHM Cc1nn2c(nc(C)cc2C)c1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737257223 598602550 /nfs/dbraw/zinc/60/25/50/598602550.db2.gz RENVDOQUWURMLM-UHFFFAOYSA-N -1 3 382.388 0.470 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCNC(=O)c1ccsc1 ZINC000737771619 598603198 /nfs/dbraw/zinc/60/31/98/598603198.db2.gz STQWHPPIMXFIRH-UHFFFAOYSA-N -1 3 376.402 0.070 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCNC(=O)c1ccsc1 ZINC000737771619 598603199 /nfs/dbraw/zinc/60/31/99/598603199.db2.gz STQWHPPIMXFIRH-UHFFFAOYSA-N -1 3 376.402 0.070 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cnn(Cc2ccccc2)c1 ZINC000737775108 598603621 /nfs/dbraw/zinc/60/36/21/598603621.db2.gz ZGAFFRHNRPHKQS-UHFFFAOYSA-N -1 3 379.384 0.747 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cnn(Cc2ccccc2)c1 ZINC000737775108 598603623 /nfs/dbraw/zinc/60/36/23/598603623.db2.gz ZGAFFRHNRPHKQS-UHFFFAOYSA-N -1 3 379.384 0.747 20 0 GCADHM CC(C)n1cnnc1SCC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735966805 598603641 /nfs/dbraw/zinc/60/36/41/598603641.db2.gz WKNLXQYUOOKUGS-UHFFFAOYSA-N -1 3 378.422 0.153 20 0 GCADHM CC(C)n1cnnc1SCC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735966805 598603643 /nfs/dbraw/zinc/60/36/43/598603643.db2.gz WKNLXQYUOOKUGS-UHFFFAOYSA-N -1 3 378.422 0.153 20 0 GCADHM Cc1c(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)nnn1-c1ccc(C)cc1 ZINC000737305389 598604472 /nfs/dbraw/zinc/60/44/72/598604472.db2.gz ICVOGCLFSAEFRI-UHFFFAOYSA-N -1 3 394.399 0.700 20 0 GCADHM Cc1c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)nnn1-c1ccc(C)cc1 ZINC000737305389 598604473 /nfs/dbraw/zinc/60/44/73/598604473.db2.gz ICVOGCLFSAEFRI-UHFFFAOYSA-N -1 3 394.399 0.700 20 0 GCADHM COc1ccc(CCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1F ZINC000737089600 598604552 /nfs/dbraw/zinc/60/45/52/598604552.db2.gz YKNBZJCDQOHCHO-UHFFFAOYSA-N -1 3 375.364 0.969 20 0 GCADHM COc1ccc(CCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1F ZINC000737089600 598604553 /nfs/dbraw/zinc/60/45/53/598604553.db2.gz YKNBZJCDQOHCHO-UHFFFAOYSA-N -1 3 375.364 0.969 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000737772582 598605052 /nfs/dbraw/zinc/60/50/52/598605052.db2.gz ZUSJMOLJVLWRIH-UHFFFAOYSA-N -1 3 395.383 0.470 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000737772582 598605053 /nfs/dbraw/zinc/60/50/53/598605053.db2.gz ZUSJMOLJVLWRIH-UHFFFAOYSA-N -1 3 395.383 0.470 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000737770123 598606055 /nfs/dbraw/zinc/60/60/55/598606055.db2.gz IWJIFWMJHYYXTA-LLVKDONJSA-N -1 3 388.432 0.370 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000737770123 598606057 /nfs/dbraw/zinc/60/60/57/598606057.db2.gz IWJIFWMJHYYXTA-LLVKDONJSA-N -1 3 388.432 0.370 20 0 GCADHM Cc1nnc(S[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1CC(N)=O ZINC000737532904 598606326 /nfs/dbraw/zinc/60/63/26/598606326.db2.gz MOEMGQSRYRBSKE-MRVPVSSYSA-N -1 3 387.429 0.371 20 0 GCADHM Cc1nnc(S[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1CC(N)=O ZINC000737532904 598606327 /nfs/dbraw/zinc/60/63/27/598606327.db2.gz MOEMGQSRYRBSKE-MRVPVSSYSA-N -1 3 387.429 0.371 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cnc(-c2ccccc2)nc1 ZINC000737775064 598606628 /nfs/dbraw/zinc/60/66/28/598606628.db2.gz XPDFISJVJJJMRI-UHFFFAOYSA-N -1 3 377.368 0.959 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cnc(-c2ccccc2)nc1 ZINC000737775064 598606630 /nfs/dbraw/zinc/60/66/30/598606630.db2.gz XPDFISJVJJJMRI-UHFFFAOYSA-N -1 3 377.368 0.959 20 0 GCADHM O=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737785990 598607864 /nfs/dbraw/zinc/60/78/64/598607864.db2.gz QJLSQCXVYPKYJF-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM O=C(C1CCCC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737785990 598607865 /nfs/dbraw/zinc/60/78/65/598607865.db2.gz QJLSQCXVYPKYJF-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000737771416 598608036 /nfs/dbraw/zinc/60/80/36/598608036.db2.gz QZZDNOGBDXDPFF-SNVBAGLBSA-N -1 3 386.347 0.454 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000737771416 598608038 /nfs/dbraw/zinc/60/80/38/598608038.db2.gz QZZDNOGBDXDPFF-SNVBAGLBSA-N -1 3 386.347 0.454 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000737770102 598608125 /nfs/dbraw/zinc/60/81/25/598608125.db2.gz IBJJOPKMYLNHEK-UHFFFAOYSA-N -1 3 391.775 0.927 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000737770102 598608126 /nfs/dbraw/zinc/60/81/26/598608126.db2.gz IBJJOPKMYLNHEK-UHFFFAOYSA-N -1 3 391.775 0.927 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000737012853 598609551 /nfs/dbraw/zinc/60/95/51/598609551.db2.gz CBGAGRQLHAQJNS-UHFFFAOYSA-N -1 3 379.402 0.259 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000737012853 598609553 /nfs/dbraw/zinc/60/95/53/598609553.db2.gz CBGAGRQLHAQJNS-UHFFFAOYSA-N -1 3 379.402 0.259 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000735952430 598611660 /nfs/dbraw/zinc/61/16/60/598611660.db2.gz GPKFKKBWCSWAJV-UHFFFAOYSA-N -1 3 395.427 0.354 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000735952430 598611661 /nfs/dbraw/zinc/61/16/61/598611661.db2.gz GPKFKKBWCSWAJV-UHFFFAOYSA-N -1 3 395.427 0.354 20 0 GCADHM CC(=O)N[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000735473635 598615569 /nfs/dbraw/zinc/61/55/69/598615569.db2.gz CFUHYWHGQPVTAQ-HIFRSBDPSA-N -1 3 383.412 0.099 20 0 GCADHM CC(=O)N[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000735473635 598615571 /nfs/dbraw/zinc/61/55/71/598615571.db2.gz CFUHYWHGQPVTAQ-HIFRSBDPSA-N -1 3 383.412 0.099 20 0 GCADHM O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737955374 598615837 /nfs/dbraw/zinc/61/58/37/598615837.db2.gz FKECCETZVZACJY-UHFFFAOYSA-N -1 3 395.412 0.326 20 0 GCADHM O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737955374 598615838 /nfs/dbraw/zinc/61/58/38/598615838.db2.gz FKECCETZVZACJY-UHFFFAOYSA-N -1 3 395.412 0.326 20 0 GCADHM O=C(COC(=O)c1cnc2sccn2c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826416780 607362805 /nfs/dbraw/zinc/36/28/05/607362805.db2.gz PJGNXWCAZVRGAE-UHFFFAOYSA-N -1 3 382.361 0.976 20 0 GCADHM O=C(COC(=O)c1cnc2sccn2c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826416780 607362807 /nfs/dbraw/zinc/36/28/07/607362807.db2.gz PJGNXWCAZVRGAE-UHFFFAOYSA-N -1 3 382.361 0.976 20 0 GCADHM NC(=O)Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737758112 598616881 /nfs/dbraw/zinc/61/68/81/598616881.db2.gz FKDRDWADEKRETC-OAHLLOKOSA-N -1 3 391.391 0.639 20 0 GCADHM NC(=O)Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737758112 598616882 /nfs/dbraw/zinc/61/68/82/598616882.db2.gz FKDRDWADEKRETC-OAHLLOKOSA-N -1 3 391.391 0.639 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736885142 598617198 /nfs/dbraw/zinc/61/71/98/598617198.db2.gz XYKSOGABCCFCKQ-NSHDSACASA-N -1 3 394.457 0.174 20 0 GCADHM O=C(COc1ccc(CC(=O)NCCO)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737960569 598617249 /nfs/dbraw/zinc/61/72/49/598617249.db2.gz XEIKVDFIQIMFJO-UHFFFAOYSA-N -1 3 396.407 0.535 20 0 GCADHM O=C(COc1ccc(CC(=O)NCCO)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737960569 598617252 /nfs/dbraw/zinc/61/72/52/598617252.db2.gz XEIKVDFIQIMFJO-UHFFFAOYSA-N -1 3 396.407 0.535 20 0 GCADHM O=C(CCN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737839965 598618368 /nfs/dbraw/zinc/61/83/68/598618368.db2.gz XUKBELPWFOADEO-LLVKDONJSA-N -1 3 396.498 0.908 20 0 GCADHM O=C(CCN(C1CC1)[C@@H]1CCS(=O)(=O)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737839965 598618370 /nfs/dbraw/zinc/61/83/70/598618370.db2.gz XUKBELPWFOADEO-LLVKDONJSA-N -1 3 396.498 0.908 20 0 GCADHM COCCCN(CCOc1ccccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000736980274 598618512 /nfs/dbraw/zinc/61/85/12/598618512.db2.gz CANLTQBZJJIECH-AWEZNQCLSA-N -1 3 395.485 0.771 20 0 GCADHM COCCCN(CCOc1ccccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000736980274 598618513 /nfs/dbraw/zinc/61/85/13/598618513.db2.gz CANLTQBZJJIECH-AWEZNQCLSA-N -1 3 395.485 0.771 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000737764941 598622178 /nfs/dbraw/zinc/62/21/78/598622178.db2.gz KNVCUCFJXVIYEK-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000737764941 598622180 /nfs/dbraw/zinc/62/21/80/598622180.db2.gz KNVCUCFJXVIYEK-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000736166486 598622800 /nfs/dbraw/zinc/62/28/00/598622800.db2.gz APKHUYSOPZNQLN-RYUDHWBXSA-N -1 3 394.457 0.161 20 0 GCADHM O=C([C@H](O)c1cccnc1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737781129 598624303 /nfs/dbraw/zinc/62/43/03/598624303.db2.gz HYGFJXRRCPVYIR-MRXNPFEDSA-N -1 3 383.387 0.783 20 0 GCADHM O=C([C@H](O)c1cccnc1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737781129 598624305 /nfs/dbraw/zinc/62/43/05/598624305.db2.gz HYGFJXRRCPVYIR-MRXNPFEDSA-N -1 3 383.387 0.783 20 0 GCADHM O=C(NCCCN1CCCS1(=O)=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738064826 598627101 /nfs/dbraw/zinc/62/71/01/598627101.db2.gz FMVOIHBXXYOPDA-UHFFFAOYSA-N -1 3 383.409 0.553 20 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/nfs/dbraw/zinc/63/20/69/598632069.db2.gz DVIDBEBCMLTJLV-UHFFFAOYSA-N -1 3 378.444 0.879 20 0 GCADHM Cc1nn(C)c(N2CCN(Cc3cn4ccccc4n3)CC2)c1-c1nn[n-]n1 ZINC000737510561 598632071 /nfs/dbraw/zinc/63/20/71/598632071.db2.gz DVIDBEBCMLTJLV-UHFFFAOYSA-N -1 3 378.444 0.879 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](O)COc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737768905 598633512 /nfs/dbraw/zinc/63/35/12/598633512.db2.gz AYOWFFULWSADHX-LLVKDONJSA-N -1 3 390.425 0.366 20 0 GCADHM NS(=O)(=O)c1ccc(NC[C@@H](O)COc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737768905 598633514 /nfs/dbraw/zinc/63/35/14/598633514.db2.gz AYOWFFULWSADHX-LLVKDONJSA-N -1 3 390.425 0.366 20 0 GCADHM O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738051660 598635956 /nfs/dbraw/zinc/63/59/56/598635956.db2.gz PHIVWSOPYFNDKF-LLVKDONJSA-N -1 3 398.354 0.901 20 0 GCADHM O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738051660 598635958 /nfs/dbraw/zinc/63/59/58/598635958.db2.gz PHIVWSOPYFNDKF-LLVKDONJSA-N -1 3 398.354 0.901 20 0 GCADHM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000737500748 598636218 /nfs/dbraw/zinc/63/62/18/598636218.db2.gz PIUOWLWMLWGCDG-LLVKDONJSA-N -1 3 396.386 0.716 20 0 GCADHM Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000737500748 598636220 /nfs/dbraw/zinc/63/62/20/598636220.db2.gz PIUOWLWMLWGCDG-LLVKDONJSA-N -1 3 396.386 0.716 20 0 GCADHM CC(C)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735835734 598636897 /nfs/dbraw/zinc/63/68/97/598636897.db2.gz MGFUBBOGVHKFOG-UHFFFAOYSA-N -1 3 375.408 0.745 20 0 GCADHM CC(C)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735835734 598636898 /nfs/dbraw/zinc/63/68/98/598636898.db2.gz MGFUBBOGVHKFOG-UHFFFAOYSA-N -1 3 375.408 0.745 20 0 GCADHM O=C(NC[C@@H](O)c1ccccc1F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738039077 598637140 /nfs/dbraw/zinc/63/71/40/598637140.db2.gz LMEBAJFSBKHRBL-CQSZACIVSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@@H](O)c1ccccc1F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738039077 598637142 /nfs/dbraw/zinc/63/71/42/598637142.db2.gz LMEBAJFSBKHRBL-CQSZACIVSA-N -1 3 388.334 0.933 20 0 GCADHM CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000736773835 598637261 /nfs/dbraw/zinc/63/72/61/598637261.db2.gz PGOJRBZDAMLASW-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000736773835 598637263 /nfs/dbraw/zinc/63/72/63/598637263.db2.gz PGOJRBZDAMLASW-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737629533 598637391 /nfs/dbraw/zinc/63/73/91/598637391.db2.gz XHGOFLVTBLDQSP-CYBMUJFWSA-N -1 3 384.375 0.872 20 0 GCADHM Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737629533 598637393 /nfs/dbraw/zinc/63/73/93/598637393.db2.gz XHGOFLVTBLDQSP-CYBMUJFWSA-N -1 3 384.375 0.872 20 0 GCADHM O=C(NC[C@H](O)c1ccccc1F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738039072 598637457 /nfs/dbraw/zinc/63/74/57/598637457.db2.gz LMEBAJFSBKHRBL-AWEZNQCLSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@H](O)c1ccccc1F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738039072 598637459 /nfs/dbraw/zinc/63/74/59/598637459.db2.gz LMEBAJFSBKHRBL-AWEZNQCLSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NCCCNc1ccccn1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738077126 598639036 /nfs/dbraw/zinc/63/90/36/598639036.db2.gz ZUJMPEIQPUVKQI-UHFFFAOYSA-N -1 3 384.375 0.958 20 0 GCADHM O=C(NCCCNc1ccccn1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738077126 598639038 /nfs/dbraw/zinc/63/90/38/598639038.db2.gz ZUJMPEIQPUVKQI-UHFFFAOYSA-N -1 3 384.375 0.958 20 0 GCADHM OC[C@@H]1CCCN(c2cc(NCCNc3ccc(-c4nn[n-]n4)cn3)ncn2)C1 ZINC000738393016 598639609 /nfs/dbraw/zinc/63/96/09/598639609.db2.gz HQUDXLOLHYQQSD-CYBMUJFWSA-N -1 3 396.459 0.784 20 0 GCADHM COc1cccc2c1OC[C@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)C2 ZINC000737143421 598642224 /nfs/dbraw/zinc/64/22/24/598642224.db2.gz QPTXEMBYMZTDER-CQSZACIVSA-N -1 3 394.391 0.934 20 0 GCADHM COc1cccc2c1OC[C@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)C2 ZINC000737143421 598642226 /nfs/dbraw/zinc/64/22/26/598642226.db2.gz QPTXEMBYMZTDER-CQSZACIVSA-N -1 3 394.391 0.934 20 0 GCADHM Cn1c2nc(Cl)n(Cc3ccc(F)cc3-c3nnn[n-]3)c2c(=O)n(C)c1=O ZINC000737590007 598643009 /nfs/dbraw/zinc/64/30/09/598643009.db2.gz OGIWLOZVQHPYHJ-UHFFFAOYSA-N -1 3 390.766 0.455 20 0 GCADHM Cn1c2nc(Cl)n(Cc3ccc(F)cc3-c3nn[n-]n3)c2c(=O)n(C)c1=O ZINC000737590007 598643011 /nfs/dbraw/zinc/64/30/11/598643011.db2.gz OGIWLOZVQHPYHJ-UHFFFAOYSA-N -1 3 390.766 0.455 20 0 GCADHM COCCN(CC(=O)N(C)C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736990350 598653611 /nfs/dbraw/zinc/65/36/11/598653611.db2.gz ODNXYPOZJOWWPM-UHFFFAOYSA-N -1 3 378.458 0.522 20 0 GCADHM COCCN(CC(=O)N(C)C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736990350 598653612 /nfs/dbraw/zinc/65/36/12/598653612.db2.gz ODNXYPOZJOWWPM-UHFFFAOYSA-N -1 3 378.458 0.522 20 0 GCADHM CCn1nc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1=O ZINC000736721910 598656117 /nfs/dbraw/zinc/65/61/17/598656117.db2.gz KIYMYOZTTDYUGD-UHFFFAOYSA-N -1 3 380.412 0.406 20 0 GCADHM CCn1nc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1=O ZINC000736721910 598656119 /nfs/dbraw/zinc/65/61/19/598656119.db2.gz KIYMYOZTTDYUGD-UHFFFAOYSA-N -1 3 380.412 0.406 20 0 GCADHM CN(C)C(=O)c1cc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ccn1 ZINC000736752080 598656386 /nfs/dbraw/zinc/65/63/86/598656386.db2.gz SUIKIXLHDKFGFU-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM CN(C)C(=O)c1cc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ccn1 ZINC000736752080 598656388 /nfs/dbraw/zinc/65/63/88/598656388.db2.gz SUIKIXLHDKFGFU-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737167492 598659421 /nfs/dbraw/zinc/65/94/21/598659421.db2.gz BMHVQCAOZKEDNL-UHFFFAOYSA-N -1 3 387.425 0.606 20 0 GCADHM CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737167492 598659423 /nfs/dbraw/zinc/65/94/23/598659423.db2.gz BMHVQCAOZKEDNL-UHFFFAOYSA-N -1 3 387.425 0.606 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000737740675 598663652 /nfs/dbraw/zinc/66/36/52/598663652.db2.gz AOJFRPBOLBPGPK-GFCCVEGCSA-N -1 3 384.421 0.720 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000737740675 598663654 /nfs/dbraw/zinc/66/36/54/598663654.db2.gz AOJFRPBOLBPGPK-GFCCVEGCSA-N -1 3 384.421 0.720 20 0 GCADHM CNC(=O)c1ccc(C(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736878921 598664697 /nfs/dbraw/zinc/66/46/97/598664697.db2.gz KXXYVKVWCVAYCZ-UHFFFAOYSA-N -1 3 395.423 0.910 20 0 GCADHM CNC(=O)c1ccc(C(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736878921 598664699 /nfs/dbraw/zinc/66/46/99/598664699.db2.gz KXXYVKVWCVAYCZ-UHFFFAOYSA-N -1 3 395.423 0.910 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738304901 598665889 /nfs/dbraw/zinc/66/58/89/598665889.db2.gz QBLSNMCEYAFGFZ-UHFFFAOYSA-N -1 3 399.411 0.178 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738304901 598665891 /nfs/dbraw/zinc/66/58/91/598665891.db2.gz QBLSNMCEYAFGFZ-UHFFFAOYSA-N -1 3 399.411 0.178 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000737943186 598667968 /nfs/dbraw/zinc/66/79/68/598667968.db2.gz QAFIUNGWBROXLB-ZDUSSCGKSA-N -1 3 387.469 0.975 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000737943186 598667970 /nfs/dbraw/zinc/66/79/70/598667970.db2.gz QAFIUNGWBROXLB-ZDUSSCGKSA-N -1 3 387.469 0.975 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736912846 598670430 /nfs/dbraw/zinc/67/04/30/598670430.db2.gz RKKRYBSAUZRSPX-ZDUSSCGKSA-N -1 3 377.426 0.500 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736912846 598670431 /nfs/dbraw/zinc/67/04/31/598670431.db2.gz RKKRYBSAUZRSPX-ZDUSSCGKSA-N -1 3 377.426 0.500 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cs1 ZINC000737482473 598674619 /nfs/dbraw/zinc/67/46/19/598674619.db2.gz LMYVRINJFIXCAY-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cs1 ZINC000737482473 598674622 /nfs/dbraw/zinc/67/46/22/598674622.db2.gz LMYVRINJFIXCAY-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1nnc(NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(-c2nnn[n-]2)c1C ZINC000737523375 598679621 /nfs/dbraw/zinc/67/96/21/598679621.db2.gz WPWAOXHJFAFWLE-LBPRGKRZSA-N -1 3 396.477 0.174 20 0 GCADHM Cc1nnc(NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(-c2nn[n-]n2)c1C ZINC000737523375 598679623 /nfs/dbraw/zinc/67/96/23/598679623.db2.gz WPWAOXHJFAFWLE-LBPRGKRZSA-N -1 3 396.477 0.174 20 0 GCADHM COC(=O)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCO1 ZINC000736912599 598684889 /nfs/dbraw/zinc/68/48/89/598684889.db2.gz QDSXSPSBSVIMCR-GFCCVEGCSA-N -1 3 380.792 0.332 20 0 GCADHM COC(=O)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCO1 ZINC000736912599 598684890 /nfs/dbraw/zinc/68/48/90/598684890.db2.gz QDSXSPSBSVIMCR-GFCCVEGCSA-N -1 3 380.792 0.332 20 0 GCADHM COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736913201 598685300 /nfs/dbraw/zinc/68/53/00/598685300.db2.gz WKAGPIQKYKOOIP-TVQRCGJNSA-N -1 3 394.819 0.721 20 0 GCADHM COC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000736913201 598685301 /nfs/dbraw/zinc/68/53/01/598685301.db2.gz WKAGPIQKYKOOIP-TVQRCGJNSA-N -1 3 394.819 0.721 20 0 GCADHM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735684613 598686175 /nfs/dbraw/zinc/68/61/75/598686175.db2.gz PYCJECBMAAHKMH-UHFFFAOYSA-N -1 3 382.421 0.495 20 0 GCADHM CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736593867 598686655 /nfs/dbraw/zinc/68/66/55/598686655.db2.gz LQBQHCJDKGGBAZ-JTQLQIEISA-N -1 3 383.405 0.970 20 0 GCADHM CCNC(=O)CCC(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736573616 598686808 /nfs/dbraw/zinc/68/68/08/598686808.db2.gz LFNGEGZIAKMHHR-UHFFFAOYSA-N -1 3 399.455 0.960 20 0 GCADHM CCNC(=O)CCC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736573616 598686809 /nfs/dbraw/zinc/68/68/09/598686809.db2.gz LFNGEGZIAKMHHR-UHFFFAOYSA-N -1 3 399.455 0.960 20 0 GCADHM CC(C)[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000735711900 598687563 /nfs/dbraw/zinc/68/75/63/598687563.db2.gz ZCAVMKWBSGNXRI-OAHLLOKOSA-N -1 3 398.464 0.641 20 0 GCADHM CC(C)[C@@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000735711900 598687564 /nfs/dbraw/zinc/68/75/64/598687564.db2.gz ZCAVMKWBSGNXRI-OAHLLOKOSA-N -1 3 398.464 0.641 20 0 GCADHM O=S(=O)(Oc1ccc(-n2cnnn2)cc1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738338242 598687760 /nfs/dbraw/zinc/68/77/60/598687760.db2.gz DXCOUIVCYDWXIR-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM CC(C)[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000735711898 598687799 /nfs/dbraw/zinc/68/77/99/598687799.db2.gz ZCAVMKWBSGNXRI-HNNXBMFYSA-N -1 3 398.464 0.641 20 0 GCADHM CC(C)[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000735711898 598687801 /nfs/dbraw/zinc/68/78/01/598687801.db2.gz ZCAVMKWBSGNXRI-HNNXBMFYSA-N -1 3 398.464 0.641 20 0 GCADHM O=C(C1CC1)N1CCC(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737780243 598688795 /nfs/dbraw/zinc/68/87/95/598688795.db2.gz AFVTVHBXRRWUKW-UHFFFAOYSA-N -1 3 394.432 0.685 20 0 GCADHM O=C(C1CC1)N1CCC(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737780243 598688796 /nfs/dbraw/zinc/68/87/96/598688796.db2.gz AFVTVHBXRRWUKW-UHFFFAOYSA-N -1 3 394.432 0.685 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736181201 598689723 /nfs/dbraw/zinc/68/97/23/598689723.db2.gz KAVQRKIJYWJEPQ-VXGBXAGGSA-N -1 3 394.457 0.161 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736181201 598689725 /nfs/dbraw/zinc/68/97/25/598689725.db2.gz KAVQRKIJYWJEPQ-VXGBXAGGSA-N -1 3 394.457 0.161 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737619584 598690802 /nfs/dbraw/zinc/69/08/02/598690802.db2.gz WCLYIUHDCPCBED-SNVBAGLBSA-N -1 3 392.420 0.703 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000737924730 598694734 /nfs/dbraw/zinc/69/47/34/598694734.db2.gz JIRNGPKETILHHC-MRXNPFEDSA-N -1 3 386.456 0.959 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000737924730 598694736 /nfs/dbraw/zinc/69/47/36/598694736.db2.gz JIRNGPKETILHHC-MRXNPFEDSA-N -1 3 386.456 0.959 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000737921414 598694824 /nfs/dbraw/zinc/69/48/24/598694824.db2.gz WMLNXXWMZVACFG-MRXNPFEDSA-N -1 3 386.456 0.959 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1CN1CCOCC1 ZINC000737924729 598695076 /nfs/dbraw/zinc/69/50/76/598695076.db2.gz JIRNGPKETILHHC-INIZCTEOSA-N -1 3 386.456 0.959 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1CN1CCOCC1 ZINC000737924729 598695078 /nfs/dbraw/zinc/69/50/78/598695078.db2.gz JIRNGPKETILHHC-INIZCTEOSA-N -1 3 386.456 0.959 20 0 GCADHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736188947 598696390 /nfs/dbraw/zinc/69/63/90/598696390.db2.gz MYDMCMSISNMGCW-BXKDBHETSA-N -1 3 399.473 0.931 20 0 GCADHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736188947 598696392 /nfs/dbraw/zinc/69/63/92/598696392.db2.gz MYDMCMSISNMGCW-BXKDBHETSA-N -1 3 399.473 0.931 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000736171854 598696415 /nfs/dbraw/zinc/69/64/15/598696415.db2.gz YXZDWPQHMACXRU-XJKSGUPXSA-N -1 3 383.412 0.758 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000736182418 598697277 /nfs/dbraw/zinc/69/72/77/598697277.db2.gz FFXGHVOGJPKKQN-ZIAGYGMSSA-N -1 3 383.412 0.758 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000736182418 598697278 /nfs/dbraw/zinc/69/72/78/598697278.db2.gz FFXGHVOGJPKKQN-ZIAGYGMSSA-N -1 3 383.412 0.758 20 0 GCADHM O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000737997835 598697676 /nfs/dbraw/zinc/69/76/76/598697676.db2.gz YIPUCCFZCFDYLP-QGZVFWFLSA-N -1 3 393.451 0.935 20 0 GCADHM O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000737997835 598697678 /nfs/dbraw/zinc/69/76/78/598697678.db2.gz YIPUCCFZCFDYLP-QGZVFWFLSA-N -1 3 393.451 0.935 20 0 GCADHM CN(CCn1cccn1)CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736814522 598698768 /nfs/dbraw/zinc/69/87/68/598698768.db2.gz KYIRJXQBBKGQNG-SFHVURJKSA-N -1 3 395.427 0.420 20 0 GCADHM CN(CCn1cccn1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736814522 598698769 /nfs/dbraw/zinc/69/87/69/598698769.db2.gz KYIRJXQBBKGQNG-SFHVURJKSA-N -1 3 395.427 0.420 20 0 GCADHM O=C(COc1ccc(CC(=O)NCCO)cc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737960355 598700337 /nfs/dbraw/zinc/70/03/37/598700337.db2.gz WQSBQGZGKPZKQO-UHFFFAOYSA-N -1 3 396.407 0.535 20 0 GCADHM O=C(COc1ccc(CC(=O)NCCO)cc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737960355 598700339 /nfs/dbraw/zinc/70/03/39/598700339.db2.gz WQSBQGZGKPZKQO-UHFFFAOYSA-N -1 3 396.407 0.535 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1=O ZINC000736214614 598702866 /nfs/dbraw/zinc/70/28/66/598702866.db2.gz OXKGEOKATYCWID-KRWDZBQOSA-N -1 3 388.359 0.770 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1=O ZINC000736214614 598702867 /nfs/dbraw/zinc/70/28/67/598702867.db2.gz OXKGEOKATYCWID-KRWDZBQOSA-N -1 3 388.359 0.770 20 0 GCADHM CC1(C)NC(=O)N(CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1=O ZINC000736213198 598704257 /nfs/dbraw/zinc/70/42/57/598704257.db2.gz FFOALBYYLDILFV-UHFFFAOYSA-N -1 3 376.348 0.770 20 0 GCADHM CC1(C)NC(=O)N(CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1=O ZINC000736213198 598704259 /nfs/dbraw/zinc/70/42/59/598704259.db2.gz FFOALBYYLDILFV-UHFFFAOYSA-N -1 3 376.348 0.770 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCCS(=O)(=O)CC2)c(-c2nnn[n-]2)c1C ZINC000737548325 598708045 /nfs/dbraw/zinc/70/80/45/598708045.db2.gz OEOMADBHLQTYIT-SNVBAGLBSA-N -1 3 382.446 0.524 20 0 GCADHM COCCCS(=O)(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736988921 598709393 /nfs/dbraw/zinc/70/93/93/598709393.db2.gz XGLSZWGWMHWJMB-UHFFFAOYSA-N -1 3 380.474 0.745 20 0 GCADHM COCCCS(=O)(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736988921 598709395 /nfs/dbraw/zinc/70/93/95/598709395.db2.gz XGLSZWGWMHWJMB-UHFFFAOYSA-N -1 3 380.474 0.745 20 0 GCADHM Cc1n[nH]cc1S(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737201775 598709710 /nfs/dbraw/zinc/70/97/10/598709710.db2.gz INCCVNAZLXQVFM-UHFFFAOYSA-N -1 3 389.445 0.241 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736624471 598710861 /nfs/dbraw/zinc/71/08/61/598710861.db2.gz ZDKHRRCMIBCRSF-UHFFFAOYSA-N -1 3 384.437 0.349 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736624471 598710862 /nfs/dbraw/zinc/71/08/62/598710862.db2.gz ZDKHRRCMIBCRSF-UHFFFAOYSA-N -1 3 384.437 0.349 20 0 GCADHM O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1)N1CCCC1 ZINC000737792594 598713057 /nfs/dbraw/zinc/71/30/57/598713057.db2.gz RIIGSFVHJMIOGB-ZDUSSCGKSA-N -1 3 390.469 0.890 20 0 GCADHM O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1)N1CCCC1 ZINC000737792594 598713060 /nfs/dbraw/zinc/71/30/60/598713060.db2.gz RIIGSFVHJMIOGB-ZDUSSCGKSA-N -1 3 390.469 0.890 20 0 GCADHM COC(=O)CCNC(=O)COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736919884 598713122 /nfs/dbraw/zinc/71/31/22/598713122.db2.gz XZTDSPSOPRGJDH-UHFFFAOYSA-N -1 3 379.398 0.181 20 0 GCADHM COC(=O)CCNC(=O)COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736919884 598713123 /nfs/dbraw/zinc/71/31/23/598713123.db2.gz XZTDSPSOPRGJDH-UHFFFAOYSA-N -1 3 379.398 0.181 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736877914 598714900 /nfs/dbraw/zinc/71/49/00/598714900.db2.gz QMEFXKNZULOEKO-UHFFFAOYSA-N -1 3 381.352 0.417 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736877914 598714901 /nfs/dbraw/zinc/71/49/01/598714901.db2.gz QMEFXKNZULOEKO-UHFFFAOYSA-N -1 3 381.352 0.417 20 0 GCADHM CCNC(=O)NC(=O)[C@@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736576425 598714936 /nfs/dbraw/zinc/71/49/36/598714936.db2.gz RSTGTERDXQURGX-SECBINFHSA-N -1 3 378.414 0.736 20 0 GCADHM CCNC(=O)NC(=O)[C@@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736576425 598714938 /nfs/dbraw/zinc/71/49/38/598714938.db2.gz RSTGTERDXQURGX-SECBINFHSA-N -1 3 378.414 0.736 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736876740 598715185 /nfs/dbraw/zinc/71/51/85/598715185.db2.gz DWBHVRHELUFAAF-UHFFFAOYSA-N -1 3 395.379 0.095 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736876740 598715186 /nfs/dbraw/zinc/71/51/86/598715186.db2.gz DWBHVRHELUFAAF-UHFFFAOYSA-N -1 3 395.379 0.095 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736885158 598716014 /nfs/dbraw/zinc/71/60/14/598716014.db2.gz YMZBULWLIGLQIT-NSHDSACASA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736885158 598716015 /nfs/dbraw/zinc/71/60/15/598716015.db2.gz YMZBULWLIGLQIT-NSHDSACASA-N -1 3 393.473 0.651 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H](O)c1cccnc1 ZINC000738032208 598721017 /nfs/dbraw/zinc/72/10/17/598721017.db2.gz MMVCSNZKBTVUIT-INIZCTEOSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H](O)c1cccnc1 ZINC000738032208 598721018 /nfs/dbraw/zinc/72/10/18/598721018.db2.gz MMVCSNZKBTVUIT-INIZCTEOSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000738304935 598721365 /nfs/dbraw/zinc/72/13/65/598721365.db2.gz QXZBNQUTFRHMKW-AWEZNQCLSA-N -1 3 383.412 0.322 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000738304935 598721367 /nfs/dbraw/zinc/72/13/67/598721367.db2.gz QXZBNQUTFRHMKW-AWEZNQCLSA-N -1 3 383.412 0.322 20 0 GCADHM CCN(CC(=O)OC)CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736512460 598722464 /nfs/dbraw/zinc/72/24/64/598722464.db2.gz IZCRYEHTKMZBKM-UHFFFAOYSA-N -1 3 387.400 0.083 20 0 GCADHM CCN(CC(=O)OC)CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736512460 598722465 /nfs/dbraw/zinc/72/24/65/598722465.db2.gz IZCRYEHTKMZBKM-UHFFFAOYSA-N -1 3 387.400 0.083 20 0 GCADHM C[C@@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736153931 598722809 /nfs/dbraw/zinc/72/28/09/598722809.db2.gz SCRJCLHJOYAJCX-LDWIPMOCSA-N -1 3 379.764 0.072 20 0 GCADHM C[C@@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736153931 598722810 /nfs/dbraw/zinc/72/28/10/598722810.db2.gz SCRJCLHJOYAJCX-LDWIPMOCSA-N -1 3 379.764 0.072 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736171137 598723061 /nfs/dbraw/zinc/72/30/61/598723061.db2.gz ZZAPATDSZAFPOX-NHYWBVRUSA-N -1 3 397.395 0.716 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737610688 598723322 /nfs/dbraw/zinc/72/33/22/598723322.db2.gz QAANAUWDVXACCY-CQSZACIVSA-N -1 3 382.384 0.361 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737610283 598723441 /nfs/dbraw/zinc/72/34/41/598723441.db2.gz MGGYKCJCKIIQOB-CQSZACIVSA-N -1 3 383.368 0.328 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737610283 598723442 /nfs/dbraw/zinc/72/34/42/598723442.db2.gz MGGYKCJCKIIQOB-CQSZACIVSA-N -1 3 383.368 0.328 20 0 GCADHM NC(=O)NC(=O)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737758518 598726225 /nfs/dbraw/zinc/72/62/25/598726225.db2.gz LNODNSXDUQAIAG-UHFFFAOYSA-N -1 3 383.324 0.406 20 0 GCADHM NC(=O)NC(=O)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737758518 598726227 /nfs/dbraw/zinc/72/62/27/598726227.db2.gz LNODNSXDUQAIAG-UHFFFAOYSA-N -1 3 383.324 0.406 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC(n2ccnc2)CC1 ZINC000738076029 598726300 /nfs/dbraw/zinc/72/63/00/598726300.db2.gz URMHYDKRZSVKCO-UHFFFAOYSA-N -1 3 382.432 0.917 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC(n2ccnc2)CC1 ZINC000738076029 598726302 /nfs/dbraw/zinc/72/63/02/598726302.db2.gz URMHYDKRZSVKCO-UHFFFAOYSA-N -1 3 382.432 0.917 20 0 GCADHM O=C1CCCN1C[C@H](O)CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738304441 598728355 /nfs/dbraw/zinc/72/83/55/598728355.db2.gz YSTMAHSFELANBE-CYBMUJFWSA-N -1 3 389.435 0.111 20 0 GCADHM CC[C@H](CO)N1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820909416 607365425 /nfs/dbraw/zinc/36/54/25/607365425.db2.gz VVBRREMVFRBMRX-CQSZACIVSA-N -1 3 376.486 0.874 20 0 GCADHM O=C1CCCN1C[C@@H](O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738304030 598728466 /nfs/dbraw/zinc/72/84/66/598728466.db2.gz VWCNRIIQLHNTTG-AWEZNQCLSA-N -1 3 389.435 0.111 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736882651 598730582 /nfs/dbraw/zinc/73/05/82/598730582.db2.gz MYVHJSIKKSMSDJ-UHFFFAOYSA-N -1 3 383.409 0.551 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736882651 598730584 /nfs/dbraw/zinc/73/05/84/598730584.db2.gz MYVHJSIKKSMSDJ-UHFFFAOYSA-N -1 3 383.409 0.551 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCCC[C@@H]1C1OCCO1 ZINC000738075320 598731206 /nfs/dbraw/zinc/73/12/06/598731206.db2.gz PKOBDONDIKCHQS-CYBMUJFWSA-N -1 3 388.432 0.611 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCCC[C@@H]1C1OCCO1 ZINC000738075320 598731208 /nfs/dbraw/zinc/73/12/08/598731208.db2.gz PKOBDONDIKCHQS-CYBMUJFWSA-N -1 3 388.432 0.611 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)NCCNc1ncccc1-c1nnn[n-]1)C2 ZINC000735952797 598731814 /nfs/dbraw/zinc/73/18/14/598731814.db2.gz LEBOEPDVJSZAGR-UHFFFAOYSA-N -1 3 397.447 0.614 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)NCCNc1ncccc1-c1nn[n-]n1)C2 ZINC000735952797 598731817 /nfs/dbraw/zinc/73/18/17/598731817.db2.gz LEBOEPDVJSZAGR-UHFFFAOYSA-N -1 3 397.447 0.614 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000738079370 598733065 /nfs/dbraw/zinc/73/30/65/598733065.db2.gz ZDGHNMGQYWBWAO-CYBMUJFWSA-N -1 3 399.459 0.470 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000738079370 598733066 /nfs/dbraw/zinc/73/30/66/598733066.db2.gz ZDGHNMGQYWBWAO-CYBMUJFWSA-N -1 3 399.459 0.470 20 0 GCADHM CCC(CC)[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736337577 598733697 /nfs/dbraw/zinc/73/36/97/598733697.db2.gz KRZHWCLWEGKRSD-CYBMUJFWSA-N -1 3 376.417 0.727 20 0 GCADHM CCC(CC)[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736337577 598733698 /nfs/dbraw/zinc/73/36/98/598733698.db2.gz KRZHWCLWEGKRSD-CYBMUJFWSA-N -1 3 376.417 0.727 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@H]1CN1CCCC1=O ZINC000738150567 598734711 /nfs/dbraw/zinc/73/47/11/598734711.db2.gz AJSYUIZGKAVJKI-HNNXBMFYSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1CN1CCCC1=O ZINC000738150567 598734713 /nfs/dbraw/zinc/73/47/13/598734713.db2.gz AJSYUIZGKAVJKI-HNNXBMFYSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000738160761 598734747 /nfs/dbraw/zinc/73/47/47/598734747.db2.gz AORQVNIVAYSZRI-UHFFFAOYSA-N -1 3 397.374 0.456 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000738160761 598734748 /nfs/dbraw/zinc/73/47/48/598734748.db2.gz AORQVNIVAYSZRI-UHFFFAOYSA-N -1 3 397.374 0.456 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC000738150570 598734893 /nfs/dbraw/zinc/73/48/93/598734893.db2.gz AJSYUIZGKAVJKI-OAHLLOKOSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1CN1CCCC1=O ZINC000738150570 598734894 /nfs/dbraw/zinc/73/48/94/598734894.db2.gz AJSYUIZGKAVJKI-OAHLLOKOSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000738224459 598737682 /nfs/dbraw/zinc/73/76/82/598737682.db2.gz RHONFZPOQHBUEK-SECBINFHSA-N -1 3 399.333 0.628 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000738224459 598737683 /nfs/dbraw/zinc/73/76/83/598737683.db2.gz RHONFZPOQHBUEK-SECBINFHSA-N -1 3 399.333 0.628 20 0 GCADHM CN(C)C(=O)N1CCC(C(=O)OCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000736751796 598738252 /nfs/dbraw/zinc/73/82/52/598738252.db2.gz OTVRCFDPYVECPZ-UHFFFAOYSA-N -1 3 388.432 0.610 20 0 GCADHM CN(C)C(=O)N1CCC(C(=O)OCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000736751796 598738253 /nfs/dbraw/zinc/73/82/53/598738253.db2.gz OTVRCFDPYVECPZ-UHFFFAOYSA-N -1 3 388.432 0.610 20 0 GCADHM O=C(Cn1cc(Br)cn1)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737982891 598738896 /nfs/dbraw/zinc/73/88/96/598738896.db2.gz UBOYVKUCBLVLPC-UHFFFAOYSA-N -1 3 393.205 0.876 20 0 GCADHM O=C(Cn1cc(Br)cn1)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737982891 598738897 /nfs/dbraw/zinc/73/88/97/598738897.db2.gz UBOYVKUCBLVLPC-UHFFFAOYSA-N -1 3 393.205 0.876 20 0 GCADHM O=C(CCN1CCCS1(=O)=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826407262 607365776 /nfs/dbraw/zinc/36/57/76/607365776.db2.gz HEHXPBKFTFRMMW-UHFFFAOYSA-N -1 3 379.398 0.018 20 0 GCADHM O=C(CCN1CCCS1(=O)=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826407262 607365777 /nfs/dbraw/zinc/36/57/77/607365777.db2.gz HEHXPBKFTFRMMW-UHFFFAOYSA-N -1 3 379.398 0.018 20 0 GCADHM O=C(CSc1nnnn1C1CC1)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737952861 598740659 /nfs/dbraw/zinc/74/06/59/598740659.db2.gz DFFREHOGODSFOK-UHFFFAOYSA-N -1 3 388.413 0.902 20 0 GCADHM CC[C@@H](CO)N1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820909415 607365876 /nfs/dbraw/zinc/36/58/76/607365876.db2.gz VVBRREMVFRBMRX-AWEZNQCLSA-N -1 3 376.486 0.874 20 0 GCADHM CS(=O)(=O)CCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737163005 598745780 /nfs/dbraw/zinc/74/57/80/598745780.db2.gz UFTVSSBLAMHAKJ-UHFFFAOYSA-N -1 3 379.442 0.671 20 0 GCADHM CN1N=C(C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)CCC1=O ZINC000736865972 598746706 /nfs/dbraw/zinc/74/67/06/598746706.db2.gz AFOVDMOSLFGONH-UHFFFAOYSA-N -1 3 383.412 0.845 20 0 GCADHM COC[C@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC000736967862 598750254 /nfs/dbraw/zinc/75/02/54/598750254.db2.gz MXGYPJLLWIZXFN-LBPRGKRZSA-N -1 3 384.444 0.966 20 0 GCADHM COC[C@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000736967862 598750256 /nfs/dbraw/zinc/75/02/56/598750256.db2.gz MXGYPJLLWIZXFN-LBPRGKRZSA-N -1 3 384.444 0.966 20 0 GCADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000736501497 598762234 /nfs/dbraw/zinc/76/22/34/598762234.db2.gz CTSMNBBXIQAXOD-RYUDHWBXSA-N -1 3 379.442 0.670 20 0 GCADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000736501497 598762235 /nfs/dbraw/zinc/76/22/35/598762235.db2.gz CTSMNBBXIQAXOD-RYUDHWBXSA-N -1 3 379.442 0.670 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cn1ncn2nccc2c1=O ZINC000736479490 598763038 /nfs/dbraw/zinc/76/30/38/598763038.db2.gz KWBZHOJXEITWOL-UHFFFAOYSA-N -1 3 393.411 0.510 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cn1ncn2nccc2c1=O ZINC000736479490 598763040 /nfs/dbraw/zinc/76/30/40/598763040.db2.gz KWBZHOJXEITWOL-UHFFFAOYSA-N -1 3 393.411 0.510 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(CC(N)=O)Cc1ccccc1 ZINC000737023492 598767516 /nfs/dbraw/zinc/76/75/16/598767516.db2.gz HESQZUYMGOGCJQ-UHFFFAOYSA-N -1 3 396.407 0.768 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CC(N)=O)Cc1ccccc1 ZINC000737023492 598767518 /nfs/dbraw/zinc/76/75/18/598767518.db2.gz HESQZUYMGOGCJQ-UHFFFAOYSA-N -1 3 396.407 0.768 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCC[C@H](CCO)C2)cc1 ZINC000822899662 607366637 /nfs/dbraw/zinc/36/66/37/607366637.db2.gz NVGWRXHSERFWAC-GFCCVEGCSA-N -1 3 382.428 0.869 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCC[C@H](CCO)C2)cc1 ZINC000822899662 607366639 /nfs/dbraw/zinc/36/66/39/607366639.db2.gz NVGWRXHSERFWAC-GFCCVEGCSA-N -1 3 382.428 0.869 20 0 GCADHM Cc1nc(CN2CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000737476668 598768410 /nfs/dbraw/zinc/76/84/10/598768410.db2.gz FUVGKUGLRLHPSC-UHFFFAOYSA-N -1 3 382.428 0.835 20 0 GCADHM Cc1nc(CN2CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737476668 598768413 /nfs/dbraw/zinc/76/84/13/598768413.db2.gz FUVGKUGLRLHPSC-UHFFFAOYSA-N -1 3 382.428 0.835 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736986941 598768412 /nfs/dbraw/zinc/76/84/12/598768412.db2.gz RGYVLGKEEIXCHL-OAHLLOKOSA-N -1 3 387.488 0.526 20 0 GCADHM CN(C(=O)COc1cccc(-c2nnn[n-]2)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736736638 598768960 /nfs/dbraw/zinc/76/89/60/598768960.db2.gz FWSOWQJXRRJTQL-LBPRGKRZSA-N -1 3 398.345 0.867 20 0 GCADHM CN(C(=O)COc1cccc(-c2nn[n-]n2)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736736638 598768962 /nfs/dbraw/zinc/76/89/62/598768962.db2.gz FWSOWQJXRRJTQL-LBPRGKRZSA-N -1 3 398.345 0.867 20 0 GCADHM O=C(CN1CCC[C@@H](N2CCCCC2=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737877320 598775531 /nfs/dbraw/zinc/77/55/31/598775531.db2.gz WBWFUAGVNLUQAS-QGZVFWFLSA-N -1 3 397.483 0.960 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736788620 598776126 /nfs/dbraw/zinc/77/61/26/598776126.db2.gz URVKSKLDWSZZLM-GFCCVEGCSA-N -1 3 397.361 0.900 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736788620 598776128 /nfs/dbraw/zinc/77/61/28/598776128.db2.gz URVKSKLDWSZZLM-GFCCVEGCSA-N -1 3 397.361 0.900 20 0 GCADHM CC(C)(C)OC(=O)NCc1nc(C(=O)n2ncc(-c3nnn[n-]3)c2N)cs1 ZINC000735640076 598778729 /nfs/dbraw/zinc/77/87/29/598778729.db2.gz WSSPJHONUVOPOS-UHFFFAOYSA-N -1 3 391.417 0.815 20 0 GCADHM CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736436260 598784113 /nfs/dbraw/zinc/78/41/13/598784113.db2.gz QBKNBXQORZJWMS-GFCCVEGCSA-N -1 3 376.417 0.870 20 0 GCADHM CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736436260 598784114 /nfs/dbraw/zinc/78/41/14/598784114.db2.gz QBKNBXQORZJWMS-GFCCVEGCSA-N -1 3 376.417 0.870 20 0 GCADHM CCNC(=O)c1ccc(N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nc1 ZINC000736577460 598785082 /nfs/dbraw/zinc/78/50/82/598785082.db2.gz IOFDKVYBVQXEOK-UHFFFAOYSA-N -1 3 379.428 0.733 20 0 GCADHM CCNC(=O)c1ccc(N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nc1 ZINC000736577460 598785084 /nfs/dbraw/zinc/78/50/84/598785084.db2.gz IOFDKVYBVQXEOK-UHFFFAOYSA-N -1 3 379.428 0.733 20 0 GCADHM CN(CC(=O)NCc1cccs1)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736783494 598795303 /nfs/dbraw/zinc/79/53/03/598795303.db2.gz KJHRIHQLXMWEBU-UHFFFAOYSA-N -1 3 399.480 0.793 20 0 GCADHM CN(CC(=O)NCc1cccs1)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736783494 598795305 /nfs/dbraw/zinc/79/53/05/598795305.db2.gz KJHRIHQLXMWEBU-UHFFFAOYSA-N -1 3 399.480 0.793 20 0 GCADHM NC(=O)C1CCN(c2ncccc2CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737746366 598796694 /nfs/dbraw/zinc/79/66/94/598796694.db2.gz SLTYTCIRJAGREN-UHFFFAOYSA-N -1 3 379.428 0.971 20 0 GCADHM NC(=O)C1CCN(c2ncccc2CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737746366 598796695 /nfs/dbraw/zinc/79/66/95/598796695.db2.gz SLTYTCIRJAGREN-UHFFFAOYSA-N -1 3 379.428 0.971 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N(CCO)CCc1ccccc1 ZINC000738039385 598799062 /nfs/dbraw/zinc/79/90/62/598799062.db2.gz OZDIRCCMEVPBBE-UHFFFAOYSA-N -1 3 394.435 0.660 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N(CCO)CCc1ccccc1 ZINC000738039385 598799063 /nfs/dbraw/zinc/79/90/63/598799063.db2.gz OZDIRCCMEVPBBE-UHFFFAOYSA-N -1 3 394.435 0.660 20 0 GCADHM CC1(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)COC1 ZINC000736214241 598801466 /nfs/dbraw/zinc/80/14/66/598801466.db2.gz LWWHOKDMKYMJEX-UHFFFAOYSA-N -1 3 382.327 0.559 20 0 GCADHM CC1(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)COC1 ZINC000736214241 598801468 /nfs/dbraw/zinc/80/14/68/598801468.db2.gz LWWHOKDMKYMJEX-UHFFFAOYSA-N -1 3 382.327 0.559 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCc2cncnc2C1 ZINC000736633493 598801972 /nfs/dbraw/zinc/80/19/72/598801972.db2.gz BZBOWNMOPHVLAJ-UHFFFAOYSA-N -1 3 394.395 0.579 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCc2cncnc2C1 ZINC000736633493 598801973 /nfs/dbraw/zinc/80/19/73/598801973.db2.gz BZBOWNMOPHVLAJ-UHFFFAOYSA-N -1 3 394.395 0.579 20 0 GCADHM CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737025134 598804701 /nfs/dbraw/zinc/80/47/01/598804701.db2.gz WUJPOLZQNMIDNI-UHFFFAOYSA-N -1 3 389.397 0.696 20 0 GCADHM CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737025134 598804703 /nfs/dbraw/zinc/80/47/03/598804703.db2.gz WUJPOLZQNMIDNI-UHFFFAOYSA-N -1 3 389.397 0.696 20 0 GCADHM C[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC000735525819 598804883 /nfs/dbraw/zinc/80/48/83/598804883.db2.gz QHEMHJTWXBGSMF-GWCFXTLKSA-N -1 3 399.440 0.559 20 0 GCADHM C[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC000735525819 598804885 /nfs/dbraw/zinc/80/48/85/598804885.db2.gz QHEMHJTWXBGSMF-GWCFXTLKSA-N -1 3 399.440 0.559 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737748223 598806008 /nfs/dbraw/zinc/80/60/08/598806008.db2.gz QEIKXVNBSAGGFA-UHFFFAOYSA-N -1 3 397.370 0.863 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737748223 598806010 /nfs/dbraw/zinc/80/60/10/598806010.db2.gz QEIKXVNBSAGGFA-UHFFFAOYSA-N -1 3 397.370 0.863 20 0 GCADHM Cn1cc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]c1=O ZINC000737604645 598807938 /nfs/dbraw/zinc/80/79/38/598807938.db2.gz IMZGPBLBEQQPLY-UHFFFAOYSA-N -1 3 379.340 0.104 20 0 GCADHM CCn1nc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000736728873 598808739 /nfs/dbraw/zinc/80/87/39/598808739.db2.gz PPGYGEGCVXJLDS-UHFFFAOYSA-N -1 3 377.368 0.881 20 0 GCADHM O=C(NCCCc1ccccc1)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000738076654 598809535 /nfs/dbraw/zinc/80/95/35/598809535.db2.gz WWZYBFZRVKYZKU-UHFFFAOYSA-N -1 3 394.439 0.539 20 0 GCADHM O=C(NCCCc1ccccc1)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000738076654 598809537 /nfs/dbraw/zinc/80/95/37/598809537.db2.gz WWZYBFZRVKYZKU-UHFFFAOYSA-N -1 3 394.439 0.539 20 0 GCADHM Cc1nnc(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1C ZINC000737523973 598812489 /nfs/dbraw/zinc/81/24/89/598812489.db2.gz YOEOBDSQLCWHTD-UHFFFAOYSA-N -1 3 379.388 0.002 20 0 GCADHM Cc1nnc(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1C ZINC000737523973 598812491 /nfs/dbraw/zinc/81/24/91/598812491.db2.gz YOEOBDSQLCWHTD-UHFFFAOYSA-N -1 3 379.388 0.002 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735747044 598812710 /nfs/dbraw/zinc/81/27/10/598812710.db2.gz OUPFMRGIIYMZDQ-LBPRGKRZSA-N -1 3 384.849 0.665 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735747044 598812712 /nfs/dbraw/zinc/81/27/12/598812712.db2.gz OUPFMRGIIYMZDQ-LBPRGKRZSA-N -1 3 384.849 0.665 20 0 GCADHM CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736591366 598813269 /nfs/dbraw/zinc/81/32/69/598813269.db2.gz BFAHDZLCAUTQGZ-UHFFFAOYSA-N -1 3 380.792 0.870 20 0 GCADHM CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736591366 598813271 /nfs/dbraw/zinc/81/32/71/598813271.db2.gz BFAHDZLCAUTQGZ-UHFFFAOYSA-N -1 3 380.792 0.870 20 0 GCADHM CCCNC(=O)CCCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736483847 598813949 /nfs/dbraw/zinc/81/39/49/598813949.db2.gz QWBYGGZPKYPATE-UHFFFAOYSA-N -1 3 386.460 0.607 20 0 GCADHM CCCNC(=O)CCCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736483847 598813950 /nfs/dbraw/zinc/81/39/50/598813950.db2.gz QWBYGGZPKYPATE-UHFFFAOYSA-N -1 3 386.460 0.607 20 0 GCADHM CCCNC(=O)CCCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736484120 598813982 /nfs/dbraw/zinc/81/39/82/598813982.db2.gz VBKKHODACPIBJC-UHFFFAOYSA-N -1 3 386.460 0.607 20 0 GCADHM CCCNC(=O)CCCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736484120 598813983 /nfs/dbraw/zinc/81/39/83/598813983.db2.gz VBKKHODACPIBJC-UHFFFAOYSA-N -1 3 386.460 0.607 20 0 GCADHM COC(=O)N(C)CCCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736932946 598815950 /nfs/dbraw/zinc/81/59/50/598815950.db2.gz YGRBLTVTLNMYIT-UHFFFAOYSA-N -1 3 388.432 0.389 20 0 GCADHM COC(=O)N(C)CCCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736932946 598815952 /nfs/dbraw/zinc/81/59/52/598815952.db2.gz YGRBLTVTLNMYIT-UHFFFAOYSA-N -1 3 388.432 0.389 20 0 GCADHM O=C(OCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000738222292 598816496 /nfs/dbraw/zinc/81/64/96/598816496.db2.gz NRSZOBBBZGTCAB-UHFFFAOYSA-N -1 3 379.332 0.986 20 0 GCADHM C[C@@H]1Oc2c(cccc2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)NC1=O ZINC000736300941 598816770 /nfs/dbraw/zinc/81/67/70/598816770.db2.gz IBSRDPHRIMWDCZ-JTQLQIEISA-N -1 3 394.395 0.823 20 0 GCADHM C[C@@H]1Oc2c(cccc2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)NC1=O ZINC000736300941 598816771 /nfs/dbraw/zinc/81/67/71/598816771.db2.gz IBSRDPHRIMWDCZ-JTQLQIEISA-N -1 3 394.395 0.823 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736655742 598820035 /nfs/dbraw/zinc/82/00/35/598820035.db2.gz FTHODCOTOBGFTR-GXTWGEPZSA-N -1 3 383.474 0.361 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736657869 598820257 /nfs/dbraw/zinc/82/02/57/598820257.db2.gz YNOCEUZVBLSJKU-LBPRGKRZSA-N -1 3 380.474 0.238 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736657869 598820258 /nfs/dbraw/zinc/82/02/58/598820258.db2.gz YNOCEUZVBLSJKU-LBPRGKRZSA-N -1 3 380.474 0.238 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)CCC1 ZINC000738022958 598821389 /nfs/dbraw/zinc/82/13/89/598821389.db2.gz UQCXPJAFLZTKKS-UHFFFAOYSA-N -1 3 395.467 0.964 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)CCC1 ZINC000738022958 598821391 /nfs/dbraw/zinc/82/13/91/598821391.db2.gz UQCXPJAFLZTKKS-UHFFFAOYSA-N -1 3 395.467 0.964 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736164399 598823070 /nfs/dbraw/zinc/82/30/70/598823070.db2.gz OHDMRPRBBUKVIL-GRYCIOLGSA-N -1 3 381.458 0.914 20 0 GCADHM O=C(CN1CCO[C@H](CNc2cccnn2)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737884821 599292623 /nfs/dbraw/zinc/29/26/23/599292623.db2.gz XAXQYGOAMRLGMB-OAHLLOKOSA-N -1 3 395.427 0.408 20 0 GCADHM O=C(CN1CCO[C@H](CNc2cccnn2)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737884821 599292624 /nfs/dbraw/zinc/29/26/24/599292624.db2.gz XAXQYGOAMRLGMB-OAHLLOKOSA-N -1 3 395.427 0.408 20 0 GCADHM c1cnnc(NC[C@H]2CN(CCOc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000738447612 599293422 /nfs/dbraw/zinc/29/34/22/599293422.db2.gz IJDVCDDYEOZSST-INIZCTEOSA-N -1 3 382.428 0.848 20 0 GCADHM O=C(CCCN1C(=O)CCC1=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737840959 599294799 /nfs/dbraw/zinc/29/47/99/599294799.db2.gz GNCHTKIXVFTNDM-UHFFFAOYSA-N -1 3 376.402 0.037 20 0 GCADHM O=C(CCCN1C(=O)CCC1=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737840959 599294801 /nfs/dbraw/zinc/29/48/01/599294801.db2.gz GNCHTKIXVFTNDM-UHFFFAOYSA-N -1 3 376.402 0.037 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738352938 599301893 /nfs/dbraw/zinc/30/18/93/599301893.db2.gz CNVCKZLAFKFDLA-GFCCVEGCSA-N -1 3 398.876 0.615 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000737288610 599303317 /nfs/dbraw/zinc/30/33/17/599303317.db2.gz LZOSWXKQVIJMTB-AWEZNQCLSA-N -1 3 385.428 0.047 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000737288610 599303320 /nfs/dbraw/zinc/30/33/20/599303320.db2.gz LZOSWXKQVIJMTB-AWEZNQCLSA-N -1 3 385.428 0.047 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000737270643 599314520 /nfs/dbraw/zinc/31/45/20/599314520.db2.gz FCUGCAJMPLEKJZ-CYBMUJFWSA-N -1 3 396.411 0.209 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000737270643 599314523 /nfs/dbraw/zinc/31/45/23/599314523.db2.gz FCUGCAJMPLEKJZ-CYBMUJFWSA-N -1 3 396.411 0.209 20 0 GCADHM COC(=O)[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)c1ccccn1 ZINC000736892601 599315277 /nfs/dbraw/zinc/31/52/77/599315277.db2.gz ATTFMVYTQCGRRI-MRXNPFEDSA-N -1 3 398.379 0.680 20 0 GCADHM COC(=O)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)c1ccccn1 ZINC000736892601 599315280 /nfs/dbraw/zinc/31/52/80/599315280.db2.gz ATTFMVYTQCGRRI-MRXNPFEDSA-N -1 3 398.379 0.680 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@H](C)C(=O)OC(C)C ZINC000737024382 599315972 /nfs/dbraw/zinc/31/59/72/599315972.db2.gz RJMLBDHSCOLQEY-NSHDSACASA-N -1 3 377.401 0.958 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@H](C)C(=O)OC(C)C ZINC000737024382 599315975 /nfs/dbraw/zinc/31/59/75/599315975.db2.gz RJMLBDHSCOLQEY-NSHDSACASA-N -1 3 377.401 0.958 20 0 GCADHM CC[C@@H](C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)N1CCCC1=O ZINC000820843349 599320077 /nfs/dbraw/zinc/32/00/77/599320077.db2.gz WXLRPHFSQIQARV-HNNXBMFYSA-N -1 3 383.456 0.916 20 0 GCADHM CC[C@@H](C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)N1CCCC1=O ZINC000820843349 599320080 /nfs/dbraw/zinc/32/00/80/599320080.db2.gz WXLRPHFSQIQARV-HNNXBMFYSA-N -1 3 383.456 0.916 20 0 GCADHM C[C@H](O)C1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000820467453 599329005 /nfs/dbraw/zinc/32/90/05/599329005.db2.gz HSBXNMXWMLNWNN-ZDUSSCGKSA-N -1 3 399.455 0.681 20 0 GCADHM COc1ccc(NCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1-n1cnnn1 ZINC000737107008 599330807 /nfs/dbraw/zinc/33/08/07/599330807.db2.gz YBRYEWQECVQPDU-UHFFFAOYSA-N -1 3 392.383 0.902 20 0 GCADHM COc1ccc(NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1-n1cnnn1 ZINC000737107008 599330809 /nfs/dbraw/zinc/33/08/09/599330809.db2.gz YBRYEWQECVQPDU-UHFFFAOYSA-N -1 3 392.383 0.902 20 0 GCADHM C[C@]1(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCS(=O)(=O)C1 ZINC000736223675 599334171 /nfs/dbraw/zinc/33/41/71/599334171.db2.gz OWCMFXXSQGPWPL-LBPRGKRZSA-N -1 3 391.862 0.376 20 0 GCADHM C[C@]1(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCS(=O)(=O)C1 ZINC000736223675 599334169 /nfs/dbraw/zinc/33/41/69/599334169.db2.gz OWCMFXXSQGPWPL-LBPRGKRZSA-N -1 3 391.862 0.376 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)O[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737918765 599336083 /nfs/dbraw/zinc/33/60/83/599336083.db2.gz KRPVYTJHSYDALN-LLVKDONJSA-N -1 3 385.302 0.952 20 0 GCADHM CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821592504 599336195 /nfs/dbraw/zinc/33/61/95/599336195.db2.gz JBHMSBNQMDBMPU-SECBINFHSA-N -1 3 391.862 0.328 20 0 GCADHM NC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000822864534 599338829 /nfs/dbraw/zinc/33/88/29/599338829.db2.gz CUNUSRGPVKHFOR-UHFFFAOYSA-N -1 3 384.849 0.796 20 0 GCADHM CS(=O)(=O)CCS(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821926189 599340781 /nfs/dbraw/zinc/34/07/81/599340781.db2.gz BGBQAOWYSQIXES-UHFFFAOYSA-N -1 3 385.471 0.206 20 0 GCADHM CS(=O)(=O)CCS(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000821926189 599340783 /nfs/dbraw/zinc/34/07/83/599340783.db2.gz BGBQAOWYSQIXES-UHFFFAOYSA-N -1 3 385.471 0.206 20 0 GCADHM COC(=O)[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)C(C)(C)C ZINC000736894692 599344445 /nfs/dbraw/zinc/34/44/45/599344445.db2.gz GXFAEKOKIKNMBY-AWEZNQCLSA-N -1 3 377.401 0.958 20 0 GCADHM COC(=O)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C(C)(C)C ZINC000736894692 599344449 /nfs/dbraw/zinc/34/44/49/599344449.db2.gz GXFAEKOKIKNMBY-AWEZNQCLSA-N -1 3 377.401 0.958 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCC[C@@H](O)C(F)(F)F ZINC000737025728 599346963 /nfs/dbraw/zinc/34/69/63/599346963.db2.gz ZWYQAFXRCLTQDS-LLVKDONJSA-N -1 3 375.307 0.684 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCC[C@@H](O)C(F)(F)F ZINC000737025728 599346966 /nfs/dbraw/zinc/34/69/66/599346966.db2.gz ZWYQAFXRCLTQDS-LLVKDONJSA-N -1 3 375.307 0.684 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000736187915 599348394 /nfs/dbraw/zinc/34/83/94/599348394.db2.gz KGASVTFTYXAHIG-MRVPVSSYSA-N -1 3 393.385 0.200 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000736187915 599348397 /nfs/dbraw/zinc/34/83/97/599348397.db2.gz KGASVTFTYXAHIG-MRVPVSSYSA-N -1 3 393.385 0.200 20 0 GCADHM O=C(c1csc2cncn21)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738292256 599351056 /nfs/dbraw/zinc/35/10/56/599351056.db2.gz KRIGPCCKGJOIRC-UHFFFAOYSA-N -1 3 381.425 0.933 20 0 GCADHM O=C(c1csc2cncn21)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738292256 599351059 /nfs/dbraw/zinc/35/10/59/599351059.db2.gz KRIGPCCKGJOIRC-UHFFFAOYSA-N -1 3 381.425 0.933 20 0 GCADHM COCCOC[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821692461 599354698 /nfs/dbraw/zinc/35/46/98/599354698.db2.gz YHLJHTLFYLRHIN-SECBINFHSA-N -1 3 375.838 0.850 20 0 GCADHM COCCOC[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821692461 599354701 /nfs/dbraw/zinc/35/47/01/599354701.db2.gz YHLJHTLFYLRHIN-SECBINFHSA-N -1 3 375.838 0.850 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737770374 599355545 /nfs/dbraw/zinc/35/55/45/599355545.db2.gz VKSPRYFLAZEZQU-UHFFFAOYSA-N -1 3 399.436 0.515 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737770374 599355547 /nfs/dbraw/zinc/35/55/47/599355547.db2.gz VKSPRYFLAZEZQU-UHFFFAOYSA-N -1 3 399.436 0.515 20 0 GCADHM O=C(Cc1ccc(O)cc1)NCC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826422843 607371070 /nfs/dbraw/zinc/37/10/70/607371070.db2.gz OCXXWWKOHVDLCU-UHFFFAOYSA-N -1 3 395.375 0.657 20 0 GCADHM O=C(Cc1ccc(O)cc1)NCC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826422843 607371072 /nfs/dbraw/zinc/37/10/72/607371072.db2.gz OCXXWWKOHVDLCU-UHFFFAOYSA-N -1 3 395.375 0.657 20 0 GCADHM O=C(Cc1ccc(O)cc1)NCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826422576 607371172 /nfs/dbraw/zinc/37/11/72/607371172.db2.gz FAIKACYNHYHAEO-UHFFFAOYSA-N -1 3 395.375 0.657 20 0 GCADHM O=C(Cc1ccc(O)cc1)NCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826422576 607371174 /nfs/dbraw/zinc/37/11/74/607371174.db2.gz FAIKACYNHYHAEO-UHFFFAOYSA-N -1 3 395.375 0.657 20 0 GCADHM Cc1nonc1COC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737547679 599360183 /nfs/dbraw/zinc/36/01/83/599360183.db2.gz NPIWGZPVWACGDY-UHFFFAOYSA-N -1 3 378.370 0.216 20 0 GCADHM Cc1nonc1COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737547679 599360185 /nfs/dbraw/zinc/36/01/85/599360185.db2.gz NPIWGZPVWACGDY-UHFFFAOYSA-N -1 3 378.370 0.216 20 0 GCADHM NC(=O)c1ccc(S(=O)(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822890362 599366456 /nfs/dbraw/zinc/36/64/56/599366456.db2.gz SEPWQRMREIUIIT-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NC(=O)c1ccc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822890362 599366458 /nfs/dbraw/zinc/36/64/58/599366458.db2.gz SEPWQRMREIUIIT-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM C[C@H](OC(=O)[C@@H](O)C1CCOCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736154616 599367198 /nfs/dbraw/zinc/36/71/98/599367198.db2.gz XBYUILZFXJSIMB-HZMBPMFUSA-N -1 3 375.385 0.524 20 0 GCADHM C[C@H](OC(=O)[C@@H](O)C1CCOCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736154616 599367200 /nfs/dbraw/zinc/36/72/00/599367200.db2.gz XBYUILZFXJSIMB-HZMBPMFUSA-N -1 3 375.385 0.524 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821691941 599372337 /nfs/dbraw/zinc/37/23/37/599372337.db2.gz KMNOQEUQNSBBBC-AWEZNQCLSA-N -1 3 381.458 0.681 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821691941 599372340 /nfs/dbraw/zinc/37/23/40/599372340.db2.gz KMNOQEUQNSBBBC-AWEZNQCLSA-N -1 3 381.458 0.681 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1=O ZINC000443016146 599373309 /nfs/dbraw/zinc/37/33/09/599373309.db2.gz VBUFRSRXRIDGCS-VYUIOLGVSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1=O ZINC000443016146 599373312 /nfs/dbraw/zinc/37/33/12/599373312.db2.gz VBUFRSRXRIDGCS-VYUIOLGVSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1=O ZINC000820676922 599373839 /nfs/dbraw/zinc/37/38/39/599373839.db2.gz PGWPBXYNRGCUIO-VYUIOLGVSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1=O ZINC000820676922 599373841 /nfs/dbraw/zinc/37/38/41/599373841.db2.gz PGWPBXYNRGCUIO-VYUIOLGVSA-N -1 3 396.860 0.808 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000822153094 599374673 /nfs/dbraw/zinc/37/46/73/599374673.db2.gz KYDZJYPLKHULMH-ZWKOPEQDSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000822153094 599374676 /nfs/dbraw/zinc/37/46/76/599374676.db2.gz KYDZJYPLKHULMH-ZWKOPEQDSA-N -1 3 376.442 0.463 20 0 GCADHM COC(=O)[C@](C)(NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)C1CC1 ZINC000736889635 599380812 /nfs/dbraw/zinc/38/08/12/599380812.db2.gz VMNGHXNQULRXDP-QGZVFWFLSA-N -1 3 375.385 0.712 20 0 GCADHM COC(=O)[C@](C)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C1CC1 ZINC000736889635 599380815 /nfs/dbraw/zinc/38/08/15/599380815.db2.gz VMNGHXNQULRXDP-QGZVFWFLSA-N -1 3 375.385 0.712 20 0 GCADHM COC(=O)CCc1nnc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736919388 599382540 /nfs/dbraw/zinc/38/25/40/599382540.db2.gz QHXRYQFHVCBATJ-UHFFFAOYSA-N -1 3 389.397 0.841 20 0 GCADHM C[C@@H](Oc1ccc(OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1)C(N)=O ZINC000820536016 599385646 /nfs/dbraw/zinc/38/56/46/599385646.db2.gz RMDAUZLAHCQPMZ-GFCCVEGCSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@@H](Oc1ccc(OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1)C(N)=O ZINC000820536016 599385649 /nfs/dbraw/zinc/38/56/49/599385649.db2.gz RMDAUZLAHCQPMZ-GFCCVEGCSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000736170700 599390664 /nfs/dbraw/zinc/39/06/64/599390664.db2.gz RLOCIKIENXTPLM-GRYCIOLGSA-N -1 3 379.442 0.668 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736231459 599390764 /nfs/dbraw/zinc/39/07/64/599390764.db2.gz XCWGOWRACJROSN-MNOVXSKESA-N -1 3 381.483 0.993 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736231459 599390768 /nfs/dbraw/zinc/39/07/68/599390768.db2.gz XCWGOWRACJROSN-MNOVXSKESA-N -1 3 381.483 0.993 20 0 GCADHM CCN1C(=O)CN(CN2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)C1=O ZINC000736564617 599393253 /nfs/dbraw/zinc/39/32/53/599393253.db2.gz JEVFTQHXZHIWSH-UHFFFAOYSA-N -1 3 388.407 0.369 20 0 GCADHM CCN1C(=O)CN(CN2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1=O ZINC000736564617 599393255 /nfs/dbraw/zinc/39/32/55/599393255.db2.gz JEVFTQHXZHIWSH-UHFFFAOYSA-N -1 3 388.407 0.369 20 0 GCADHM CC(C)(CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000819980288 599398638 /nfs/dbraw/zinc/39/86/38/599398638.db2.gz BYYJTXPYBRWXHN-UHFFFAOYSA-N -1 3 389.460 0.656 20 0 GCADHM Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737437421 599399526 /nfs/dbraw/zinc/39/95/26/599399526.db2.gz POSAHNZDMJTXPW-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737437421 599399530 /nfs/dbraw/zinc/39/95/30/599399530.db2.gz POSAHNZDMJTXPW-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM COC(=O)[C@H](c1cccnc1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821651511 607374703 /nfs/dbraw/zinc/37/47/03/607374703.db2.gz AQJKRBSMWVVXBY-HNNXBMFYSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@H](c1cccnc1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821651511 607374705 /nfs/dbraw/zinc/37/47/05/607374705.db2.gz AQJKRBSMWVVXBY-HNNXBMFYSA-N -1 3 380.412 0.693 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822679785 599413476 /nfs/dbraw/zinc/41/34/76/599413476.db2.gz IIEBNUHXCSJESL-HNNXBMFYSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822679785 599413478 /nfs/dbraw/zinc/41/34/78/599413478.db2.gz IIEBNUHXCSJESL-HNNXBMFYSA-N -1 3 395.427 0.595 20 0 GCADHM C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820368176 599419760 /nfs/dbraw/zinc/41/97/60/599419760.db2.gz XHXQDHWIALCIAY-NSHDSACASA-N -1 3 381.462 0.508 20 0 GCADHM C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820368176 599419764 /nfs/dbraw/zinc/41/97/64/599419764.db2.gz XHXQDHWIALCIAY-NSHDSACASA-N -1 3 381.462 0.508 20 0 GCADHM C[C@@H](O)CC(C)(C)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820468116 599425119 /nfs/dbraw/zinc/42/51/19/599425119.db2.gz RGURYNFBLAQUPO-GFCCVEGCSA-N -1 3 395.485 0.695 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NCCN1C(=O)CSC1=O ZINC000823215999 599426523 /nfs/dbraw/zinc/42/65/23/599426523.db2.gz UVDZQXLZHJBQEJ-UHFFFAOYSA-N -1 3 391.413 0.240 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736229530 599446410 /nfs/dbraw/zinc/44/64/10/599446410.db2.gz MPHKKNASGQWEFL-YRGRVCCFSA-N -1 3 381.458 0.114 20 0 GCADHM C[C@@H]1[C@H](C)N(CCC(=O)Nc2sccc2-c2nnn[n-]2)CCS1(=O)=O ZINC000736229980 599446449 /nfs/dbraw/zinc/44/64/49/599446449.db2.gz QBLOTVSRVWRRFW-VHSXEESVSA-N -1 3 384.487 0.764 20 0 GCADHM C[C@@H]1[C@H](C)N(CCC(=O)Nc2sccc2-c2nn[n-]n2)CCS1(=O)=O ZINC000736229980 599446451 /nfs/dbraw/zinc/44/64/51/599446451.db2.gz QBLOTVSRVWRRFW-VHSXEESVSA-N -1 3 384.487 0.764 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736229979 599446877 /nfs/dbraw/zinc/44/68/77/599446877.db2.gz QBLOTVSRVWRRFW-UWVGGRQHSA-N -1 3 384.487 0.764 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736229979 599446879 /nfs/dbraw/zinc/44/68/79/599446879.db2.gz QBLOTVSRVWRRFW-UWVGGRQHSA-N -1 3 384.487 0.764 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000820033232 599447061 /nfs/dbraw/zinc/44/70/61/599447061.db2.gz SRRFTBGZXIUVRL-ZBFHGGJFSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](O)c1cnn(C)c1 ZINC000820033232 599447063 /nfs/dbraw/zinc/44/70/63/599447063.db2.gz SRRFTBGZXIUVRL-ZBFHGGJFSA-N -1 3 385.428 0.853 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736230473 599447363 /nfs/dbraw/zinc/44/73/63/599447363.db2.gz RLRJUSTZSBEVKG-NEPJUHHUSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736230473 599447364 /nfs/dbraw/zinc/44/73/64/599447364.db2.gz RLRJUSTZSBEVKG-NEPJUHHUSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736230476 599447490 /nfs/dbraw/zinc/44/74/90/599447490.db2.gz RLRJUSTZSBEVKG-VXGBXAGGSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736230476 599447492 /nfs/dbraw/zinc/44/74/92/599447492.db2.gz RLRJUSTZSBEVKG-VXGBXAGGSA-N -1 3 378.458 0.703 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCOCCS(C)(=O)=O ZINC000821612028 599447786 /nfs/dbraw/zinc/44/77/86/599447786.db2.gz FOMLUJKBSHFTRD-UHFFFAOYSA-N -1 3 382.446 0.069 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCOCCS(C)(=O)=O ZINC000821612028 599447787 /nfs/dbraw/zinc/44/77/87/599447787.db2.gz FOMLUJKBSHFTRD-UHFFFAOYSA-N -1 3 382.446 0.069 20 0 GCADHM C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccccc2-c2nnn[n-]2)CCS1(=O)=O ZINC000736230474 599447868 /nfs/dbraw/zinc/44/78/68/599447868.db2.gz RLRJUSTZSBEVKG-NWDGAFQWSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H]1[C@H](C)N(CCC(=O)Nc2ccccc2-c2nn[n-]n2)CCS1(=O)=O ZINC000736230474 599447870 /nfs/dbraw/zinc/44/78/70/599447870.db2.gz RLRJUSTZSBEVKG-NWDGAFQWSA-N -1 3 378.458 0.703 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCN(CC2CCOCC2)CC1 ZINC000738355530 599450156 /nfs/dbraw/zinc/45/01/56/599450156.db2.gz PGXKCABSHIGWCY-UHFFFAOYSA-N -1 3 392.485 0.600 20 0 GCADHM CN(CC(=O)NC(C)(C)C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821592792 599450444 /nfs/dbraw/zinc/45/04/44/599450444.db2.gz VRZNYYQNGGXBCP-UHFFFAOYSA-N -1 3 375.433 0.802 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736224808 599451207 /nfs/dbraw/zinc/45/12/07/599451207.db2.gz NPRAKZLDCHKWBF-RKDXNWHRSA-N -1 3 389.434 0.202 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738152166 599452240 /nfs/dbraw/zinc/45/22/40/599452240.db2.gz PYLAZNJEVSYCHH-UHFFFAOYSA-N -1 3 391.399 0.659 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738152166 599452243 /nfs/dbraw/zinc/45/22/43/599452243.db2.gz PYLAZNJEVSYCHH-UHFFFAOYSA-N -1 3 391.399 0.659 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820643456 599453687 /nfs/dbraw/zinc/45/36/87/599453687.db2.gz WXEZDBUZCCSPHX-RYUDHWBXSA-N -1 3 394.457 0.463 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821442534 599458924 /nfs/dbraw/zinc/45/89/24/599458924.db2.gz USSUOWSGTNSQSF-JTQLQIEISA-N -1 3 384.437 0.970 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821442534 599458926 /nfs/dbraw/zinc/45/89/26/599458926.db2.gz USSUOWSGTNSQSF-JTQLQIEISA-N -1 3 384.437 0.970 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)s1 ZINC000822266774 607380725 /nfs/dbraw/zinc/38/07/25/607380725.db2.gz HYPFOWZNVRSWBD-UHFFFAOYSA-N -1 3 381.443 0.273 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)s1 ZINC000822266774 607380727 /nfs/dbraw/zinc/38/07/27/607380727.db2.gz HYPFOWZNVRSWBD-UHFFFAOYSA-N -1 3 381.443 0.273 20 0 GCADHM C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348169 599470352 /nfs/dbraw/zinc/47/03/52/599470352.db2.gz APXIDDMBOHRZQN-GFCCVEGCSA-N -1 3 393.473 0.605 20 0 GCADHM C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348169 599470355 /nfs/dbraw/zinc/47/03/55/599470355.db2.gz APXIDDMBOHRZQN-GFCCVEGCSA-N -1 3 393.473 0.605 20 0 GCADHM O=S(=O)(N1CCCC1)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823567919 599470978 /nfs/dbraw/zinc/47/09/78/599470978.db2.gz YSIUFUYOFUAQDC-UHFFFAOYSA-N -1 3 381.437 0.468 20 0 GCADHM O=S(=O)(N1CCCC1)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000823567919 599470979 /nfs/dbraw/zinc/47/09/79/599470979.db2.gz YSIUFUYOFUAQDC-UHFFFAOYSA-N -1 3 381.437 0.468 20 0 GCADHM CN(CCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)S(C)(=O)=O ZINC000821600504 599471816 /nfs/dbraw/zinc/47/18/16/599471816.db2.gz PIMNOVDZELKUBQ-UHFFFAOYSA-N -1 3 397.411 0.808 20 0 GCADHM CN(CCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)S(C)(=O)=O ZINC000821600504 599471817 /nfs/dbraw/zinc/47/18/17/599471817.db2.gz PIMNOVDZELKUBQ-UHFFFAOYSA-N -1 3 397.411 0.808 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)n1C ZINC000736780652 599480372 /nfs/dbraw/zinc/48/03/72/599480372.db2.gz YXRUFYNKSHAXGN-UHFFFAOYSA-N -1 3 380.409 0.284 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1C ZINC000736780652 599480373 /nfs/dbraw/zinc/48/03/73/599480373.db2.gz YXRUFYNKSHAXGN-UHFFFAOYSA-N -1 3 380.409 0.284 20 0 GCADHM O=S(=O)(c1c[nH]cn1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738347274 599481793 /nfs/dbraw/zinc/48/17/93/599481793.db2.gz FHKKGPAQLYPVEU-UHFFFAOYSA-N -1 3 375.414 0.822 20 0 GCADHM NS(=O)(=O)c1ccc(NCCNC(=O)c2cccs2)c(-c2nnn[n-]2)c1 ZINC000822899528 599483863 /nfs/dbraw/zinc/48/38/63/599483863.db2.gz JXBKSUJCORLBSU-UHFFFAOYSA-N -1 3 393.454 0.418 20 0 GCADHM NS(=O)(=O)c1ccc(NCCNC(=O)c2cccs2)c(-c2nn[n-]n2)c1 ZINC000822899528 599483865 /nfs/dbraw/zinc/48/38/65/599483865.db2.gz JXBKSUJCORLBSU-UHFFFAOYSA-N -1 3 393.454 0.418 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000735828935 599494578 /nfs/dbraw/zinc/49/45/78/599494578.db2.gz CHOPOXYIQBZBAL-GFCCVEGCSA-N -1 3 380.474 0.789 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000735828935 599494580 /nfs/dbraw/zinc/49/45/80/599494580.db2.gz CHOPOXYIQBZBAL-GFCCVEGCSA-N -1 3 380.474 0.789 20 0 GCADHM O=C(NC[C@@H](O)C1CCOCC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738036857 599498443 /nfs/dbraw/zinc/49/84/43/599498443.db2.gz FSPWPOGMNYZLNP-IAGOWNOFSA-N -1 3 386.456 0.739 20 0 GCADHM CC(C)(C)OC(=O)NCCNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000819940176 599499530 /nfs/dbraw/zinc/49/95/30/599499530.db2.gz RCHOHZHFLPNTQM-UHFFFAOYSA-N -1 3 383.434 0.451 20 0 GCADHM CC(C)(C)OC(=O)NCCNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000819940176 599499532 /nfs/dbraw/zinc/49/95/32/599499532.db2.gz RCHOHZHFLPNTQM-UHFFFAOYSA-N -1 3 383.434 0.451 20 0 GCADHM C[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820322676 599503401 /nfs/dbraw/zinc/50/34/01/599503401.db2.gz UCFVPSITNTUPHU-LLVKDONJSA-N -1 3 399.436 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ZINC000820396499 599509534 /nfs/dbraw/zinc/50/95/34/599509534.db2.gz FYCKPGVGHHSDMY-VIFPVBQESA-N -1 3 377.364 0.888 20 0 GCADHM C[C@H](NC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396499 599509536 /nfs/dbraw/zinc/50/95/36/599509536.db2.gz FYCKPGVGHHSDMY-VIFPVBQESA-N -1 3 377.364 0.888 20 0 GCADHM COC(=O)CCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736913007 599511218 /nfs/dbraw/zinc/51/12/18/599511218.db2.gz LRTUNRSWMCTZOP-UHFFFAOYSA-N -1 3 390.400 0.662 20 0 GCADHM COC(=O)CCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736913007 599511221 /nfs/dbraw/zinc/51/12/21/599511221.db2.gz LRTUNRSWMCTZOP-UHFFFAOYSA-N -1 3 390.400 0.662 20 0 GCADHM CC(C)(O)CNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735679264 599512860 /nfs/dbraw/zinc/51/28/60/599512860.db2.gz HXFWUJWIXCSGBY-UHFFFAOYSA-N -1 3 397.395 0.880 20 0 GCADHM CC(C)(O)CNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735679264 599512863 /nfs/dbraw/zinc/51/28/63/599512863.db2.gz HXFWUJWIXCSGBY-UHFFFAOYSA-N -1 3 397.395 0.880 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[S@](C)=O ZINC000735904621 599513049 /nfs/dbraw/zinc/51/30/49/599513049.db2.gz SRTKGEMNANMWQH-SANMLTNESA-N -1 3 380.430 0.087 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[S@](C)=O ZINC000735904621 599513051 /nfs/dbraw/zinc/51/30/51/599513051.db2.gz SRTKGEMNANMWQH-SANMLTNESA-N -1 3 380.430 0.087 20 0 GCADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736968633 599514251 /nfs/dbraw/zinc/51/42/51/599514251.db2.gz RYXUZSWSJRVAGI-KRWDZBQOSA-N -1 3 392.416 0.106 20 0 GCADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736968633 599514254 /nfs/dbraw/zinc/51/42/54/599514254.db2.gz RYXUZSWSJRVAGI-KRWDZBQOSA-N -1 3 392.416 0.106 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCc2nccn2C1 ZINC000738162942 599514980 /nfs/dbraw/zinc/51/49/80/599514980.db2.gz IWFTWHGURWWGIE-SNVBAGLBSA-N -1 3 386.803 0.786 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCc2nccn2C1 ZINC000738162942 599514982 /nfs/dbraw/zinc/51/49/82/599514982.db2.gz IWFTWHGURWWGIE-SNVBAGLBSA-N -1 3 386.803 0.786 20 0 GCADHM O=C(NCC1(O)CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738040796 599515188 /nfs/dbraw/zinc/51/51/88/599515188.db2.gz SVAFNDWWDXWLOL-UHFFFAOYSA-N -1 3 380.792 0.116 20 0 GCADHM O=C(NCC1(O)CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738040796 599515189 /nfs/dbraw/zinc/51/51/89/599515189.db2.gz SVAFNDWWDXWLOL-UHFFFAOYSA-N -1 3 380.792 0.116 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736224011 599516135 /nfs/dbraw/zinc/51/61/35/599516135.db2.gz KXILTCOHZKUGDZ-IBZIYZMPSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736224011 599516138 /nfs/dbraw/zinc/51/61/38/599516138.db2.gz KXILTCOHZKUGDZ-IBZIYZMPSA-N -1 3 396.860 0.827 20 0 GCADHM COC(=O)N1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821664712 599516303 /nfs/dbraw/zinc/51/63/03/599516303.db2.gz GCLAIGQUAKYHCY-SECBINFHSA-N -1 3 381.418 0.157 20 0 GCADHM COC(=O)N1CCC[C@@H](Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821664712 599516304 /nfs/dbraw/zinc/51/63/04/599516304.db2.gz GCLAIGQUAKYHCY-SECBINFHSA-N -1 3 381.418 0.157 20 0 GCADHM O=C(NCC[C@H](O)C(F)(F)F)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738056863 599517729 /nfs/dbraw/zinc/51/77/29/599517729.db2.gz VKRHMCLZDKPPPM-VIFPVBQESA-N -1 3 392.725 0.888 20 0 GCADHM O=C(NCC[C@H](O)C(F)(F)F)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738056863 599517731 /nfs/dbraw/zinc/51/77/31/599517731.db2.gz VKRHMCLZDKPPPM-VIFPVBQESA-N -1 3 392.725 0.888 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819803256 599518421 /nfs/dbraw/zinc/51/84/21/599518421.db2.gz MADYIYHEJBPYSF-ABAIWWIYSA-N -1 3 385.428 0.171 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819803256 599518423 /nfs/dbraw/zinc/51/84/23/599518423.db2.gz MADYIYHEJBPYSF-ABAIWWIYSA-N -1 3 385.428 0.171 20 0 GCADHM NS(=O)(=O)C1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000822895558 599524622 /nfs/dbraw/zinc/52/46/22/599524622.db2.gz SUZJYJKIXCIGLS-UHFFFAOYSA-N -1 3 395.395 0.950 20 0 GCADHM NS(=O)(=O)C1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000822895558 599524624 /nfs/dbraw/zinc/52/46/24/599524624.db2.gz SUZJYJKIXCIGLS-UHFFFAOYSA-N -1 3 395.395 0.950 20 0 GCADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820752987 599535774 /nfs/dbraw/zinc/53/57/74/599535774.db2.gz VFQSMPXCHVTASO-QWHCGFSZSA-N -1 3 392.895 0.756 20 0 GCADHM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1cccc(-c2nnn[n-]2)c1 ZINC000820391422 599552337 /nfs/dbraw/zinc/55/23/37/599552337.db2.gz PPSUJZXCPWUCHX-SECBINFHSA-N -1 3 375.414 0.344 20 0 GCADHM C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cn1C)c1cccc(-c2nn[n-]n2)c1 ZINC000820391422 599552339 /nfs/dbraw/zinc/55/23/39/599552339.db2.gz PPSUJZXCPWUCHX-SECBINFHSA-N -1 3 375.414 0.344 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822894590 599558511 /nfs/dbraw/zinc/55/85/11/599558511.db2.gz CERIXJWQHSQKEX-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822894590 599558514 /nfs/dbraw/zinc/55/85/14/599558514.db2.gz CERIXJWQHSQKEX-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM CN(CCNS(=O)(=O)c1cnn(C)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821602871 599559142 /nfs/dbraw/zinc/55/91/42/599559142.db2.gz YXRBYYWTNFIMEH-UHFFFAOYSA-N -1 3 376.446 0.011 20 0 GCADHM CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825395489 607384003 /nfs/dbraw/zinc/38/40/03/607384003.db2.gz QNTHOVPPWLPVPE-UHFFFAOYSA-N -1 3 388.428 0.705 20 0 GCADHM CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825395489 607384005 /nfs/dbraw/zinc/38/40/05/607384005.db2.gz QNTHOVPPWLPVPE-UHFFFAOYSA-N -1 3 388.428 0.705 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOC[C@@H]2CCOC2)c(-c2nnn[n-]2)c1 ZINC000822899299 599570165 /nfs/dbraw/zinc/57/01/65/599570165.db2.gz GAXCQEOERLESQH-NSHDSACASA-N -1 3 382.446 0.369 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOC[C@@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC000822899299 599570167 /nfs/dbraw/zinc/57/01/67/599570167.db2.gz GAXCQEOERLESQH-NSHDSACASA-N -1 3 382.446 0.369 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737738261 599576236 /nfs/dbraw/zinc/57/62/36/599576236.db2.gz GYCSNFDIKGJLST-IUCAKERBSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737738261 599576240 /nfs/dbraw/zinc/57/62/40/599576240.db2.gz GYCSNFDIKGJLST-IUCAKERBSA-N -1 3 391.819 0.619 20 0 GCADHM C[C@@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCS1(=O)=O ZINC000820759887 599576369 /nfs/dbraw/zinc/57/63/69/599576369.db2.gz OANSFTSNFSGVAK-SNVBAGLBSA-N -1 3 375.414 0.536 20 0 GCADHM C[C@@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCS1(=O)=O ZINC000820759887 599576371 /nfs/dbraw/zinc/57/63/71/599576371.db2.gz OANSFTSNFSGVAK-SNVBAGLBSA-N -1 3 375.414 0.536 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000737740954 599576559 /nfs/dbraw/zinc/57/65/59/599576559.db2.gz BRFBRTLPZQABQR-NEPJUHHUSA-N -1 3 395.427 0.409 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000737740954 599576560 /nfs/dbraw/zinc/57/65/60/599576560.db2.gz BRFBRTLPZQABQR-NEPJUHHUSA-N -1 3 395.427 0.409 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000737740956 599577177 /nfs/dbraw/zinc/57/71/77/599577177.db2.gz BRFBRTLPZQABQR-NWDGAFQWSA-N -1 3 395.427 0.409 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000737740956 599577178 /nfs/dbraw/zinc/57/71/78/599577178.db2.gz BRFBRTLPZQABQR-NWDGAFQWSA-N -1 3 395.427 0.409 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000823548121 599577451 /nfs/dbraw/zinc/57/74/51/599577451.db2.gz UHDQAZZKCQGBAV-CQSZACIVSA-N -1 3 395.427 0.906 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000823548121 599577452 /nfs/dbraw/zinc/57/74/52/599577452.db2.gz UHDQAZZKCQGBAV-CQSZACIVSA-N -1 3 395.427 0.906 20 0 GCADHM CN(C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736791278 599578344 /nfs/dbraw/zinc/57/83/44/599578344.db2.gz KUOIGCMMRVDNQW-KSSFIOAISA-N -1 3 385.428 0.702 20 0 GCADHM CN(C[C@@H]1CCCO1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736791278 599578346 /nfs/dbraw/zinc/57/83/46/599578346.db2.gz KUOIGCMMRVDNQW-KSSFIOAISA-N -1 3 385.428 0.702 20 0 GCADHM O=C1CN(CN2CCn3ccnc3C2)C(=O)N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738307384 599580160 /nfs/dbraw/zinc/58/01/60/599580160.db2.gz SAQBJDVSNKJGIH-UHFFFAOYSA-N -1 3 393.411 0.301 20 0 GCADHM O=C1CN(CN2CCn3ccnc3C2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738307384 599580163 /nfs/dbraw/zinc/58/01/63/599580163.db2.gz SAQBJDVSNKJGIH-UHFFFAOYSA-N -1 3 393.411 0.301 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)[C@H]1CCN(C)C1=O ZINC000735569054 599588106 /nfs/dbraw/zinc/58/81/06/599588106.db2.gz CUYFVUZSTDIXHY-KOLCDFICSA-N -1 3 389.485 0.906 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)[C@H]1CCN(C)C1=O ZINC000735569054 599588108 /nfs/dbraw/zinc/58/81/08/599588108.db2.gz CUYFVUZSTDIXHY-KOLCDFICSA-N -1 3 389.485 0.906 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)[C@H]1CCN(C)C1=O ZINC000735569057 599588819 /nfs/dbraw/zinc/58/88/19/599588819.db2.gz CUYFVUZSTDIXHY-ONGXEEELSA-N -1 3 389.485 0.906 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)[C@H]1CCN(C)C1=O ZINC000735569057 599588821 /nfs/dbraw/zinc/58/88/21/599588821.db2.gz CUYFVUZSTDIXHY-ONGXEEELSA-N -1 3 389.485 0.906 20 0 GCADHM CS(=O)(=O)CCOCCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821926290 599591142 /nfs/dbraw/zinc/59/11/42/599591142.db2.gz FJKMRQZUJGLRFY-UHFFFAOYSA-N -1 3 396.860 0.963 20 0 GCADHM CS(=O)(=O)CCOCCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821926290 599591144 /nfs/dbraw/zinc/59/11/44/599591144.db2.gz FJKMRQZUJGLRFY-UHFFFAOYSA-N -1 3 396.860 0.963 20 0 GCADHM COC(=O)CN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000821662441 599592540 /nfs/dbraw/zinc/59/25/40/599592540.db2.gz CGGXSMZEMNTJFJ-UHFFFAOYSA-N -1 3 388.428 0.137 20 0 GCADHM COC(=O)CN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000821662441 599592542 /nfs/dbraw/zinc/59/25/42/599592542.db2.gz CGGXSMZEMNTJFJ-UHFFFAOYSA-N -1 3 388.428 0.137 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737747694 599597936 /nfs/dbraw/zinc/59/79/36/599597936.db2.gz WHKFCEIQFODBGN-RKDXNWHRSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737747694 599597937 /nfs/dbraw/zinc/59/79/37/599597937.db2.gz WHKFCEIQFODBGN-RKDXNWHRSA-N -1 3 384.849 0.843 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)c1-c1nnn[n-]1 ZINC000822319578 599598563 /nfs/dbraw/zinc/59/85/63/599598563.db2.gz UBQJIJWRVFSURR-UHFFFAOYSA-N -1 3 379.380 0.529 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)c1-c1nn[n-]n1 ZINC000822319578 599598564 /nfs/dbraw/zinc/59/85/64/599598564.db2.gz UBQJIJWRVFSURR-UHFFFAOYSA-N -1 3 379.380 0.529 20 0 GCADHM NC(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822865176 599600732 /nfs/dbraw/zinc/60/07/32/599600732.db2.gz XGBBMUWWRBKFGI-UHFFFAOYSA-N -1 3 385.306 0.206 20 0 GCADHM NC(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822865176 599600734 /nfs/dbraw/zinc/60/07/34/599600734.db2.gz XGBBMUWWRBKFGI-UHFFFAOYSA-N -1 3 385.306 0.206 20 0 GCADHM CN1CC[C@@H](NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1=O ZINC000736854460 599601235 /nfs/dbraw/zinc/60/12/35/599601235.db2.gz FAXQMSHMVVKHOU-CYBMUJFWSA-N -1 3 375.458 0.630 20 0 GCADHM CN1CC[C@@H](NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1=O ZINC000736854460 599601237 /nfs/dbraw/zinc/60/12/37/599601237.db2.gz FAXQMSHMVVKHOU-CYBMUJFWSA-N -1 3 375.458 0.630 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCC1(O)Cc2ccccc2C1 ZINC000738079248 599601527 /nfs/dbraw/zinc/60/15/27/599601527.db2.gz YHYDTBOEZILGPF-UHFFFAOYSA-N -1 3 394.439 0.503 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCC1(O)Cc2ccccc2C1 ZINC000738079248 599601528 /nfs/dbraw/zinc/60/15/28/599601528.db2.gz YHYDTBOEZILGPF-UHFFFAOYSA-N -1 3 394.439 0.503 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)c1-c1nnn[n-]1 ZINC000822312643 599601529 /nfs/dbraw/zinc/60/15/29/599601529.db2.gz GXXIBHPWQFNCPL-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)c1-c1nn[n-]n1 ZINC000822312643 599601530 /nfs/dbraw/zinc/60/15/30/599601530.db2.gz GXXIBHPWQFNCPL-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCn1cccn1 ZINC000820151304 599602202 /nfs/dbraw/zinc/60/22/02/599602202.db2.gz GQOZLKRKPKBSTA-UHFFFAOYSA-N -1 3 384.400 0.605 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N(CCO)C1CC1 ZINC000823303393 599602409 /nfs/dbraw/zinc/60/24/09/599602409.db2.gz HSSLAQUKNZGANT-UHFFFAOYSA-N -1 3 384.318 0.807 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N(CCO)C1CC1 ZINC000823303393 599602411 /nfs/dbraw/zinc/60/24/11/599602411.db2.gz HSSLAQUKNZGANT-UHFFFAOYSA-N -1 3 384.318 0.807 20 0 GCADHM CN1C[C@H](NC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCC1=O ZINC000736846492 599603088 /nfs/dbraw/zinc/60/30/88/599603088.db2.gz QZJXMMVPPLMHFD-MRXNPFEDSA-N -1 3 398.471 0.315 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000823207027 599603261 /nfs/dbraw/zinc/60/32/61/599603261.db2.gz ZHAGTDVEDDHREZ-UHFFFAOYSA-N -1 3 391.395 0.910 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000823207027 599603262 /nfs/dbraw/zinc/60/32/62/599603262.db2.gz ZHAGTDVEDDHREZ-UHFFFAOYSA-N -1 3 391.395 0.910 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)C2 ZINC000821553909 599605244 /nfs/dbraw/zinc/60/52/44/599605244.db2.gz MBLIWHBFJOGMHV-UHFFFAOYSA-N -1 3 381.400 0.310 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)C2 ZINC000821553909 599605245 /nfs/dbraw/zinc/60/52/45/599605245.db2.gz MBLIWHBFJOGMHV-UHFFFAOYSA-N -1 3 381.400 0.310 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1-c1nnn[n-]1 ZINC000822312855 599605548 /nfs/dbraw/zinc/60/55/48/599605548.db2.gz JDLIZIXICOXJAL-ZDUSSCGKSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC000822312855 599605550 /nfs/dbraw/zinc/60/55/50/599605550.db2.gz JDLIZIXICOXJAL-ZDUSSCGKSA-N -1 3 397.439 0.727 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)c1 ZINC000821863889 599605572 /nfs/dbraw/zinc/60/55/72/599605572.db2.gz QERMRAAFXWJHSA-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)c1 ZINC000821863889 599605574 /nfs/dbraw/zinc/60/55/74/599605574.db2.gz QERMRAAFXWJHSA-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1-c1nnn[n-]1 ZINC000822312851 599605895 /nfs/dbraw/zinc/60/58/95/599605895.db2.gz JDLIZIXICOXJAL-CYBMUJFWSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC000822312851 599605897 /nfs/dbraw/zinc/60/58/97/599605897.db2.gz JDLIZIXICOXJAL-CYBMUJFWSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822309328 599606005 /nfs/dbraw/zinc/60/60/05/599606005.db2.gz UTMQMZXZWZNDKT-WDEREUQCSA-N -1 3 394.457 0.394 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822309328 599606006 /nfs/dbraw/zinc/60/60/06/599606006.db2.gz UTMQMZXZWZNDKT-WDEREUQCSA-N -1 3 394.457 0.394 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000822313958 599609177 /nfs/dbraw/zinc/60/91/77/599609177.db2.gz PXJLXXZOIYNKGE-SNVBAGLBSA-N -1 3 384.318 0.903 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000822313958 599609179 /nfs/dbraw/zinc/60/91/79/599609179.db2.gz PXJLXXZOIYNKGE-SNVBAGLBSA-N -1 3 384.318 0.903 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](COC)C(C)C ZINC000821400113 599609723 /nfs/dbraw/zinc/60/97/23/599609723.db2.gz FEJVPOKJPYBXPI-CYBMUJFWSA-N -1 3 376.417 0.991 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](COC)C(C)C ZINC000821400113 599609725 /nfs/dbraw/zinc/60/97/25/599609725.db2.gz FEJVPOKJPYBXPI-CYBMUJFWSA-N -1 3 376.417 0.991 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCC[C@@H](O)CC ZINC000821400609 599610079 /nfs/dbraw/zinc/61/00/79/599610079.db2.gz MIMDDTXORVWVLB-LBPRGKRZSA-N -1 3 376.417 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCC[C@@H](O)CC ZINC000821400609 599610080 /nfs/dbraw/zinc/61/00/80/599610080.db2.gz MIMDDTXORVWVLB-LBPRGKRZSA-N -1 3 376.417 0.871 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCOC1CCOCC1 ZINC000822216427 599610605 /nfs/dbraw/zinc/61/06/05/599610605.db2.gz OKBARKHZPNSBKN-UHFFFAOYSA-N -1 3 388.428 0.816 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCOC1CCOCC1 ZINC000822216427 599610606 /nfs/dbraw/zinc/61/06/06/599610606.db2.gz OKBARKHZPNSBKN-UHFFFAOYSA-N -1 3 388.428 0.816 20 0 GCADHM CCc1cc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000821471080 599611605 /nfs/dbraw/zinc/61/16/05/599611605.db2.gz VITUDFDWGNCUDZ-UHFFFAOYSA-N -1 3 384.400 0.296 20 0 GCADHM Cn1cc(C2CCN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737606419 599613593 /nfs/dbraw/zinc/61/35/93/599613593.db2.gz RDOXRLMLBJXOQU-UHFFFAOYSA-N -1 3 396.459 0.996 20 0 GCADHM Cn1cc(C2CCN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737606419 599613595 /nfs/dbraw/zinc/61/35/95/599613595.db2.gz RDOXRLMLBJXOQU-UHFFFAOYSA-N -1 3 396.459 0.996 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000737003150 599614528 /nfs/dbraw/zinc/61/45/28/599614528.db2.gz USTZWYWRXMDXLZ-OAHLLOKOSA-N -1 3 397.443 0.631 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000737003150 599614530 /nfs/dbraw/zinc/61/45/30/599614530.db2.gz USTZWYWRXMDXLZ-OAHLLOKOSA-N -1 3 397.443 0.631 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821692470 599616047 /nfs/dbraw/zinc/61/60/47/599616047.db2.gz YKDWATLBRUBNIN-CYBMUJFWSA-N -1 3 388.428 0.625 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821692470 599616048 /nfs/dbraw/zinc/61/60/48/599616048.db2.gz YKDWATLBRUBNIN-CYBMUJFWSA-N -1 3 388.428 0.625 20 0 GCADHM O=C(NCc1nnnn1C1CC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823269352 599616594 /nfs/dbraw/zinc/61/65/94/599616594.db2.gz DEUJECLIFCPPLA-UHFFFAOYSA-N -1 3 388.779 0.096 20 0 GCADHM O=C(NCc1nnnn1C1CC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823269352 599616596 /nfs/dbraw/zinc/61/65/96/599616596.db2.gz DEUJECLIFCPPLA-UHFFFAOYSA-N -1 3 388.779 0.096 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000822215986 599616683 /nfs/dbraw/zinc/61/66/83/599616683.db2.gz AZSLYOZDNUCVIE-ZDUSSCGKSA-N -1 3 381.400 0.569 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000822215986 599616685 /nfs/dbraw/zinc/61/66/85/599616685.db2.gz AZSLYOZDNUCVIE-ZDUSSCGKSA-N -1 3 381.400 0.569 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000738162009 599616876 /nfs/dbraw/zinc/61/68/76/599616876.db2.gz IHZAUYVYRNZAFE-GFCCVEGCSA-N -1 3 384.375 0.832 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000738162009 599616878 /nfs/dbraw/zinc/61/68/78/599616878.db2.gz IHZAUYVYRNZAFE-GFCCVEGCSA-N -1 3 384.375 0.832 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](C)CCO ZINC000820243034 599616915 /nfs/dbraw/zinc/61/69/15/599616915.db2.gz UHQFJGJDXVWDGV-LLVKDONJSA-N -1 3 376.417 0.727 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](C)CCO ZINC000820243034 599616917 /nfs/dbraw/zinc/61/69/17/599616917.db2.gz UHQFJGJDXVWDGV-LLVKDONJSA-N -1 3 376.417 0.727 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313661 599616957 /nfs/dbraw/zinc/61/69/57/599616957.db2.gz FIQDOOYMALPQNE-NSHDSACASA-N -1 3 393.407 0.710 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313661 599616958 /nfs/dbraw/zinc/61/69/58/599616958.db2.gz FIQDOOYMALPQNE-NSHDSACASA-N -1 3 393.407 0.710 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737739357 599617130 /nfs/dbraw/zinc/61/71/30/599617130.db2.gz NXVSEGWDHCNOGU-IUCAKERBSA-N -1 3 375.364 0.105 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737739357 599617131 /nfs/dbraw/zinc/61/71/31/599617131.db2.gz NXVSEGWDHCNOGU-IUCAKERBSA-N -1 3 375.364 0.105 20 0 GCADHM CCN(CCCO)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000821206318 599617475 /nfs/dbraw/zinc/61/74/75/599617475.db2.gz AMWMAOLRDYLTID-UHFFFAOYSA-N -1 3 376.417 0.823 20 0 GCADHM CCN(CCCO)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000821206318 599617476 /nfs/dbraw/zinc/61/74/76/599617476.db2.gz AMWMAOLRDYLTID-UHFFFAOYSA-N -1 3 376.417 0.823 20 0 GCADHM COCCn1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821695146 599619380 /nfs/dbraw/zinc/61/93/80/599619380.db2.gz LGIUUZFXTGUASH-NSHDSACASA-N -1 3 384.400 0.526 20 0 GCADHM COCCn1cc(NC(=O)C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821695146 599619381 /nfs/dbraw/zinc/61/93/81/599619381.db2.gz LGIUUZFXTGUASH-NSHDSACASA-N -1 3 384.400 0.526 20 0 GCADHM C[C@H](C(=O)OCCn1ncc(-c2nnn[n-]2)c1N)n1nnc(-c2ccccc2)n1 ZINC000819883590 599622010 /nfs/dbraw/zinc/62/20/10/599622010.db2.gz ILXRPUNZPJJQLY-SNVBAGLBSA-N -1 3 395.387 0.103 20 0 GCADHM C[C@H](C(=O)OCCn1ncc(-c2nn[n-]n2)c1N)n1nnc(-c2ccccc2)n1 ZINC000819883590 599622011 /nfs/dbraw/zinc/62/20/11/599622011.db2.gz ILXRPUNZPJJQLY-SNVBAGLBSA-N -1 3 395.387 0.103 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000822904109 599623311 /nfs/dbraw/zinc/62/33/11/599623311.db2.gz SISZFFZIPDYLKI-UGSOOPFHSA-N -1 3 381.396 0.929 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000822904109 599623312 /nfs/dbraw/zinc/62/33/12/599623312.db2.gz 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BBAQNBZVZRVFOO-UHFFFAOYSA-N -1 3 379.429 0.777 20 0 GCADHM Cn1nccc1NC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826366586 607516315 /nfs/dbraw/zinc/51/63/15/607516315.db2.gz PDHJJRXRXRPHBK-UHFFFAOYSA-N -1 3 399.390 0.027 20 0 GCADHM CCN1C[C@H](NC(=O)C(=O)Nc2ccc(C(=O)[O-])c(C(=O)OC)c2)[C@@H](C)C1 ZINC000829745107 601601019 /nfs/dbraw/zinc/60/10/19/601601019.db2.gz OIEXGDJFOAAFSR-HZMBPMFUSA-N -1 3 377.397 0.566 20 0 GCADHM CCN1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)C1 ZINC000829744334 601601883 /nfs/dbraw/zinc/60/18/83/601601883.db2.gz HNPHDXXASAYQII-MFKMUULPSA-N -1 3 379.413 0.797 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccnn1CC1CC1 ZINC000826441561 607516380 /nfs/dbraw/zinc/51/63/80/607516380.db2.gz JNPKHLIQNQOTTC-UHFFFAOYSA-N -1 3 384.375 0.867 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccnn1CC1CC1 ZINC000826441561 607516382 /nfs/dbraw/zinc/51/63/82/607516382.db2.gz JNPKHLIQNQOTTC-UHFFFAOYSA-N -1 3 384.375 0.867 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CO)CC(C)(C)C ZINC000826184834 607518116 /nfs/dbraw/zinc/51/81/16/607518116.db2.gz MPFZYUAJOHYCKX-LLVKDONJSA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CO)CC(C)(C)C ZINC000826184834 607518117 /nfs/dbraw/zinc/51/81/17/607518117.db2.gz MPFZYUAJOHYCKX-LLVKDONJSA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(CN2CCN(c3ncccc3C(N)=O)CC2)cc1-c1nnn[n-]1 ZINC000826195444 607519988 /nfs/dbraw/zinc/51/99/88/607519988.db2.gz UVOFHQVQACGECJ-UHFFFAOYSA-N -1 3 394.439 0.691 20 0 GCADHM COc1ccc(CN2CCN(c3ncccc3C(N)=O)CC2)cc1-c1nn[n-]n1 ZINC000826195444 607519990 /nfs/dbraw/zinc/51/99/90/607519990.db2.gz UVOFHQVQACGECJ-UHFFFAOYSA-N -1 3 394.439 0.691 20 0 GCADHM O=C(Cn1ccc(=O)[nH]c1=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833122537 601729957 /nfs/dbraw/zinc/72/99/57/601729957.db2.gz FJXDJEGIKKAIFF-LJQANCHMSA-N -1 3 386.408 0.185 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833357623 601735396 /nfs/dbraw/zinc/73/53/96/601735396.db2.gz YBHZHWKOZAPZLI-LJQANCHMSA-N -1 3 388.424 0.164 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000826174378 607523975 /nfs/dbraw/zinc/52/39/75/607523975.db2.gz UNZTVXKVFQGVAE-AWEZNQCLSA-N -1 3 395.441 0.841 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H](C(C)C)N1CCCS1(=O)=O ZINC000826174378 607523978 /nfs/dbraw/zinc/52/39/78/607523978.db2.gz UNZTVXKVFQGVAE-AWEZNQCLSA-N -1 3 395.441 0.841 20 0 GCADHM COC(=O)[C@H](O)C1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826111233 607525642 /nfs/dbraw/zinc/52/56/42/607525642.db2.gz ASNCHIOJTDEKHQ-XHDPSFHLSA-N -1 3 388.428 0.440 20 0 GCADHM CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000828423494 601768113 /nfs/dbraw/zinc/76/81/13/601768113.db2.gz KPSBSMJWFVYGTH-IOASZLSFSA-N -1 3 375.425 0.710 20 0 GCADHM CC(C)N1C[C@@H](C)[C@H](NC(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000828423500 601768176 /nfs/dbraw/zinc/76/81/76/601768176.db2.gz KPSBSMJWFVYGTH-XJKCOSOUSA-N -1 3 375.425 0.710 20 0 GCADHM O=C(CN1CCC(N2CCCNC2=O)CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826410227 607526230 /nfs/dbraw/zinc/52/62/30/607526230.db2.gz GZEQUHGGJVSFTH-UHFFFAOYSA-N -1 3 398.471 0.363 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000826183366 607526314 /nfs/dbraw/zinc/52/63/14/607526314.db2.gz NMUBYTDYRVCAFR-UHFFFAOYSA-N -1 3 392.427 0.635 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(Cc2nnc(C)n2C)CC1 ZINC000826183572 607527612 /nfs/dbraw/zinc/52/76/12/607527612.db2.gz TXAMIVHVAVBGFT-UHFFFAOYSA-N -1 3 383.460 0.630 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000824448141 607528378 /nfs/dbraw/zinc/52/83/78/607528378.db2.gz GFAMTUWTVGMWPK-SNVBAGLBSA-N -1 3 389.441 0.554 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000824448141 607528381 /nfs/dbraw/zinc/52/83/81/607528381.db2.gz GFAMTUWTVGMWPK-SNVBAGLBSA-N -1 3 389.441 0.554 20 0 GCADHM CN1CCN(CCCCNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000830951361 601859083 /nfs/dbraw/zinc/85/90/83/601859083.db2.gz YOLAWTWVYMDHNR-UHFFFAOYSA-N -1 3 380.420 0.606 20 0 GCADHM C[C@]1(C(=O)[O-])CCN(CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000828024161 601917967 /nfs/dbraw/zinc/91/79/67/601917967.db2.gz JIDTVZOSSNRTBX-FQEVSTJZSA-N -1 3 375.469 0.932 20 0 GCADHM O=C([O-])C[C@H]1CSCCN1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000833222056 601921748 /nfs/dbraw/zinc/92/17/48/601921748.db2.gz RTSYZGJBDCBUCX-KBPBESRZSA-N -1 3 379.438 0.756 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826084044 607537702 /nfs/dbraw/zinc/53/77/02/607537702.db2.gz ULDUTRHVRULBAC-GWCFXTLKSA-N -1 3 379.446 0.261 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084044 607537703 /nfs/dbraw/zinc/53/77/03/607537703.db2.gz ULDUTRHVRULBAC-GWCFXTLKSA-N -1 3 379.446 0.261 20 0 GCADHM CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000830604130 602125405 /nfs/dbraw/zinc/12/54/05/602125405.db2.gz HIKRIKUVNNJREB-INIZCTEOSA-N -1 3 377.441 0.821 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)CN1CCN(C)CC1 ZINC000737670005 602128466 /nfs/dbraw/zinc/12/84/66/602128466.db2.gz VPGPIUYSMTUQMU-AWEZNQCLSA-N -1 3 376.457 0.252 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC000823994537 607546439 /nfs/dbraw/zinc/54/64/39/607546439.db2.gz KPGLUWBFNXQSTM-ZDUSSCGKSA-N -1 3 378.458 0.712 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC000823994537 607546441 /nfs/dbraw/zinc/54/64/41/607546441.db2.gz KPGLUWBFNXQSTM-ZDUSSCGKSA-N -1 3 378.458 0.712 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H](CCC(N)=O)C2)c1-c1nnn[n-]1 ZINC000826301490 607546943 /nfs/dbraw/zinc/54/69/43/607546943.db2.gz GMRSVUDZWYGUJS-LBPRGKRZSA-N -1 3 378.458 0.841 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H](CCC(N)=O)C2)c1-c1nn[n-]n1 ZINC000826301490 607546944 /nfs/dbraw/zinc/54/69/44/607546944.db2.gz GMRSVUDZWYGUJS-LBPRGKRZSA-N -1 3 378.458 0.841 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(CCOC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826301857 607549608 /nfs/dbraw/zinc/54/96/08/607549608.db2.gz RQFDUIUYJUXZSX-UHFFFAOYSA-N -1 3 394.501 0.906 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(CCOC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826301857 607549610 /nfs/dbraw/zinc/54/96/10/607549610.db2.gz RQFDUIUYJUXZSX-UHFFFAOYSA-N -1 3 394.501 0.906 20 0 GCADHM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1cc(-n2nnnc2C)ccc1F ZINC000831578751 602206200 /nfs/dbraw/zinc/20/62/00/602206200.db2.gz QFCFBPDNODANLD-INIZCTEOSA-N -1 3 380.380 0.518 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000830934741 602221590 /nfs/dbraw/zinc/22/15/90/602221590.db2.gz JIHPFMLUNBNTQQ-CQSZACIVSA-N -1 3 399.444 0.451 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000830935300 602221778 /nfs/dbraw/zinc/22/17/78/602221778.db2.gz VIHLBNPPXRWVPE-HNNXBMFYSA-N -1 3 399.444 0.451 20 0 GCADHM Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1C(=O)[O-] ZINC000832903295 602222487 /nfs/dbraw/zinc/22/24/87/602222487.db2.gz XHPMDURATIACHO-MRXNPFEDSA-N -1 3 395.481 0.620 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1C(=O)[O-] ZINC000832972653 602222493 /nfs/dbraw/zinc/22/24/93/602222493.db2.gz IZPBZNBBVOWAOF-AWEZNQCLSA-N -1 3 395.481 0.620 20 0 GCADHM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000832852126 602222625 /nfs/dbraw/zinc/22/26/25/602222625.db2.gz QCDPPTRIMLSDMG-HNNXBMFYSA-N -1 3 395.481 0.620 20 0 GCADHM COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826149430 607554683 /nfs/dbraw/zinc/55/46/83/607554683.db2.gz HHYJQLLODNHBMP-YGRLFVJLSA-N -1 3 394.457 0.075 20 0 GCADHM COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826149430 607554685 /nfs/dbraw/zinc/55/46/85/607554685.db2.gz HHYJQLLODNHBMP-YGRLFVJLSA-N -1 3 394.457 0.075 20 0 GCADHM COC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826149429 607554749 /nfs/dbraw/zinc/55/47/49/607554749.db2.gz HHYJQLLODNHBMP-QMTHXVAHSA-N -1 3 394.457 0.075 20 0 GCADHM COC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826149429 607554750 /nfs/dbraw/zinc/55/47/50/607554750.db2.gz HHYJQLLODNHBMP-QMTHXVAHSA-N -1 3 394.457 0.075 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825604757 607551417 /nfs/dbraw/zinc/55/14/17/607551417.db2.gz KPIPXIPRTCWUGG-HNNXBMFYSA-N -1 3 381.458 0.824 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825604757 607551419 /nfs/dbraw/zinc/55/14/19/607551419.db2.gz KPIPXIPRTCWUGG-HNNXBMFYSA-N -1 3 381.458 0.824 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000826082694 607556384 /nfs/dbraw/zinc/55/63/84/607556384.db2.gz AAVHBIHSRWWQGB-GFCCVEGCSA-N -1 3 390.429 0.040 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000826082694 607556386 /nfs/dbraw/zinc/55/63/86/607556386.db2.gz AAVHBIHSRWWQGB-GFCCVEGCSA-N -1 3 390.429 0.040 20 0 GCADHM COc1ccc(CNC(=O)NCc2cccc(C(N)=O)c2)cc1-c1nnn[n-]1 ZINC000826199693 607557936 /nfs/dbraw/zinc/55/79/36/607557936.db2.gz IXQQOTDYXXKZHV-UHFFFAOYSA-N -1 3 381.396 0.974 20 0 GCADHM COc1ccc(CNC(=O)NCc2cccc(C(N)=O)c2)cc1-c1nn[n-]n1 ZINC000826199693 607557938 /nfs/dbraw/zinc/55/79/38/607557938.db2.gz IXQQOTDYXXKZHV-UHFFFAOYSA-N -1 3 381.396 0.974 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826083358 607558087 /nfs/dbraw/zinc/55/80/87/607558087.db2.gz JQPXBUXEBMWQNW-SECBINFHSA-N -1 3 385.837 0.676 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826083358 607558089 /nfs/dbraw/zinc/55/80/89/607558089.db2.gz JQPXBUXEBMWQNW-SECBINFHSA-N -1 3 385.837 0.676 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826199997 607558127 /nfs/dbraw/zinc/55/81/27/607558127.db2.gz UUSXAEYMZCDLPU-LLVKDONJSA-N -1 3 380.430 0.109 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826199997 607558129 /nfs/dbraw/zinc/55/81/29/607558129.db2.gz UUSXAEYMZCDLPU-LLVKDONJSA-N -1 3 380.430 0.109 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826082889 607561400 /nfs/dbraw/zinc/56/14/00/607561400.db2.gz DBPWPYHKDWPOMK-VIFPVBQESA-N -1 3 385.837 0.676 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826082889 607561402 /nfs/dbraw/zinc/56/14/02/607561402.db2.gz DBPWPYHKDWPOMK-VIFPVBQESA-N -1 3 385.837 0.676 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@H]1CCCn2ccnc21 ZINC000826438034 607562465 /nfs/dbraw/zinc/56/24/65/607562465.db2.gz KBFDZQDGOHMWNL-CYBMUJFWSA-N -1 3 382.432 0.747 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@H]1CCCn2ccnc21 ZINC000826438034 607562467 /nfs/dbraw/zinc/56/24/67/607562467.db2.gz KBFDZQDGOHMWNL-CYBMUJFWSA-N -1 3 382.432 0.747 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CC2 ZINC000826501190 607564792 /nfs/dbraw/zinc/56/47/92/607564792.db2.gz DGDMDARAAUFCKO-UHFFFAOYSA-N -1 3 395.351 0.388 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000826501190 607564793 /nfs/dbraw/zinc/56/47/93/607564793.db2.gz DGDMDARAAUFCKO-UHFFFAOYSA-N -1 3 395.351 0.388 20 0 GCADHM CCN1CCO[C@@H](CNC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC000825465523 607565464 /nfs/dbraw/zinc/56/54/64/607565464.db2.gz MQFMOLFAOWCMDD-ZDUSSCGKSA-N -1 3 375.433 0.395 20 0 GCADHM CCN1CCO[C@@H](CNC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC000825465523 607565466 /nfs/dbraw/zinc/56/54/66/607565466.db2.gz MQFMOLFAOWCMDD-ZDUSSCGKSA-N -1 3 375.433 0.395 20 0 GCADHM O=C(c1cnc2n1CCCC2)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826474753 607566657 /nfs/dbraw/zinc/56/66/57/607566657.db2.gz DDPMDWRAKGKQAD-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM O=C(c1cnc2n1CCCC2)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826474753 607566659 /nfs/dbraw/zinc/56/66/59/607566659.db2.gz DDPMDWRAKGKQAD-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)N1CCN(c3cc(-c4nnn[n-]4)ccn3)CC1)CC2 ZINC000826337697 607567239 /nfs/dbraw/zinc/56/72/39/607567239.db2.gz XULNZZNIEKMSMN-AWEZNQCLSA-N -1 3 394.443 0.073 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)N1CCN(c3cc(-c4nn[n-]n4)ccn3)CC1)CC2 ZINC000826337697 607567241 /nfs/dbraw/zinc/56/72/41/607567241.db2.gz XULNZZNIEKMSMN-AWEZNQCLSA-N -1 3 394.443 0.073 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H](C)CN2CCOCC2)cc1-c1nnn[n-]1 ZINC000826199073 607569460 /nfs/dbraw/zinc/56/94/60/607569460.db2.gz PVJQRIDPFGCFSL-CYBMUJFWSA-N -1 3 389.460 0.643 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H](C)CN2CCOCC2)cc1-c1nn[n-]n1 ZINC000826199073 607569461 /nfs/dbraw/zinc/56/94/61/607569461.db2.gz PVJQRIDPFGCFSL-CYBMUJFWSA-N -1 3 389.460 0.643 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCc2c[nH]nc2C1 ZINC000826432183 607569760 /nfs/dbraw/zinc/56/97/60/607569760.db2.gz UMLSQMNVLWPZSJ-UHFFFAOYSA-N -1 3 394.443 0.722 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCc2c[nH]nc2C1 ZINC000826432183 607569762 /nfs/dbraw/zinc/56/97/62/607569762.db2.gz UMLSQMNVLWPZSJ-UHFFFAOYSA-N -1 3 394.443 0.722 20 0 GCADHM CCN1CCO[C@H](CNC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC000825465520 607565829 /nfs/dbraw/zinc/56/58/29/607565829.db2.gz MQFMOLFAOWCMDD-CYBMUJFWSA-N -1 3 375.433 0.395 20 0 GCADHM CCN1CCO[C@H](CNC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC000825465520 607565830 /nfs/dbraw/zinc/56/58/30/607565830.db2.gz MQFMOLFAOWCMDD-CYBMUJFWSA-N -1 3 375.433 0.395 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)OCC(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826337652 607566108 /nfs/dbraw/zinc/56/61/08/607566108.db2.gz VYUZFPNDKAICPX-GFCCVEGCSA-N -1 3 382.384 0.511 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)OCC(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826337652 607566109 /nfs/dbraw/zinc/56/61/09/607566109.db2.gz VYUZFPNDKAICPX-GFCCVEGCSA-N -1 3 382.384 0.511 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1-c1nnn[n-]1 ZINC000826197710 607571012 /nfs/dbraw/zinc/57/10/12/607571012.db2.gz AHTWXLIIEFYWBW-UHFFFAOYSA-N -1 3 395.427 0.697 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1-c1nn[n-]n1 ZINC000826197710 607571014 /nfs/dbraw/zinc/57/10/14/607571014.db2.gz AHTWXLIIEFYWBW-UHFFFAOYSA-N -1 3 395.427 0.697 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@H](CNC(N)=O)C2)cc1-c1nnn[n-]1 ZINC000826198448 607572781 /nfs/dbraw/zinc/57/27/81/607572781.db2.gz YTFGQFLMEINHLY-GFCCVEGCSA-N -1 3 388.432 0.465 20 0 GCADHM COc1ccc(CNC(=O)N2CCC[C@H](CNC(N)=O)C2)cc1-c1nn[n-]n1 ZINC000826198448 607572783 /nfs/dbraw/zinc/57/27/83/607572783.db2.gz YTFGQFLMEINHLY-GFCCVEGCSA-N -1 3 388.432 0.465 20 0 GCADHM CCN(C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)[C@@H](C)CS(C)(=O)=O ZINC000825376725 607576326 /nfs/dbraw/zinc/57/63/26/607576326.db2.gz MNSMVWUKCALAAE-NSHDSACASA-N -1 3 396.473 0.840 20 0 GCADHM CCN(C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)[C@@H](C)CS(C)(=O)=O ZINC000825376725 607576328 /nfs/dbraw/zinc/57/63/28/607576328.db2.gz MNSMVWUKCALAAE-NSHDSACASA-N -1 3 396.473 0.840 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)o1 ZINC000826392529 607577016 /nfs/dbraw/zinc/57/70/16/607577016.db2.gz BNQSYKWUGCAHSB-UHFFFAOYSA-N -1 3 381.396 0.911 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)o1 ZINC000826392529 607577017 /nfs/dbraw/zinc/57/70/17/607577017.db2.gz BNQSYKWUGCAHSB-UHFFFAOYSA-N -1 3 381.396 0.911 20 0 GCADHM CCCNC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825328750 607578629 /nfs/dbraw/zinc/57/86/29/607578629.db2.gz WYROCVJYSLODKG-UHFFFAOYSA-N -1 3 392.363 0.690 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccco2)c1-c1nnn[n-]1 ZINC000826302310 607580168 /nfs/dbraw/zinc/58/01/68/607580168.db2.gz FYANXPKUTIWELK-UHFFFAOYSA-N -1 3 376.398 0.363 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccco2)c1-c1nn[n-]n1 ZINC000826302310 607580170 /nfs/dbraw/zinc/58/01/70/607580170.db2.gz FYANXPKUTIWELK-UHFFFAOYSA-N -1 3 376.398 0.363 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)NCc1ccco1 ZINC000826412898 607581195 /nfs/dbraw/zinc/58/11/95/607581195.db2.gz ILBFIDKLBTWOMX-UHFFFAOYSA-N -1 3 396.816 0.708 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)NCc1ccco1 ZINC000826412898 607581196 /nfs/dbraw/zinc/58/11/96/607581196.db2.gz ILBFIDKLBTWOMX-UHFFFAOYSA-N -1 3 396.816 0.708 20 0 GCADHM NC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826393705 607584087 /nfs/dbraw/zinc/58/40/87/607584087.db2.gz FSWHOCMZJYSOFW-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824262213 607584687 /nfs/dbraw/zinc/58/46/87/607584687.db2.gz YFCYNDRZRVADTO-ZDUSSCGKSA-N -1 3 398.464 0.641 20 0 GCADHM CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824262213 607584688 /nfs/dbraw/zinc/58/46/88/607584688.db2.gz YFCYNDRZRVADTO-ZDUSSCGKSA-N -1 3 398.464 0.641 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000826196318 607589197 /nfs/dbraw/zinc/58/91/97/607589197.db2.gz XXCJPSQVYVVYMU-JTQLQIEISA-N -1 3 398.345 0.902 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000826196318 607589198 /nfs/dbraw/zinc/58/91/98/607589198.db2.gz XXCJPSQVYVVYMU-JTQLQIEISA-N -1 3 398.345 0.902 20 0 GCADHM CN(C)C(=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825840914 607590066 /nfs/dbraw/zinc/59/00/66/607590066.db2.gz RSTQIBXAIAGWKG-UHFFFAOYSA-N -1 3 392.363 0.642 20 0 GCADHM COc1ccc(CNC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1-c1nnn[n-]1 ZINC000826197370 607591208 /nfs/dbraw/zinc/59/12/08/607591208.db2.gz MNXQCGYGLAOSHL-UHFFFAOYSA-N -1 3 397.424 0.976 20 0 GCADHM COc1ccc(CNC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1-c1nn[n-]n1 ZINC000826197370 607591209 /nfs/dbraw/zinc/59/12/09/607591209.db2.gz MNXQCGYGLAOSHL-UHFFFAOYSA-N -1 3 397.424 0.976 20 0 GCADHM Cc1cccc(C(=O)NCCNS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826296010 607594250 /nfs/dbraw/zinc/59/42/50/607594250.db2.gz GRXUPJLHDDBUJZ-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM Cc1cccc(C(=O)NCCNS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826296010 607594252 /nfs/dbraw/zinc/59/42/52/607594252.db2.gz GRXUPJLHDDBUJZ-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM O=C1C[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CN1c1ccccc1 ZINC000826478418 607599160 /nfs/dbraw/zinc/59/91/60/607599160.db2.gz BEBQZQSYKMHQFX-LBPRGKRZSA-N -1 3 384.421 0.951 20 0 GCADHM O=C1C[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CN1c1ccccc1 ZINC000826478418 607599162 /nfs/dbraw/zinc/59/91/62/607599162.db2.gz BEBQZQSYKMHQFX-LBPRGKRZSA-N -1 3 384.421 0.951 20 0 GCADHM O=S(=O)(NCCn1cncn1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826491316 607599405 /nfs/dbraw/zinc/59/94/05/607599405.db2.gz COTDJOINWWCLQS-UHFFFAOYSA-N -1 3 388.335 0.456 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826090431 607600453 /nfs/dbraw/zinc/60/04/53/607600453.db2.gz HOUJUHDDLQUABG-UHFFFAOYSA-N -1 3 392.397 0.469 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826090431 607600455 /nfs/dbraw/zinc/60/04/55/607600455.db2.gz HOUJUHDDLQUABG-UHFFFAOYSA-N -1 3 392.397 0.469 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000826496221 607601931 /nfs/dbraw/zinc/60/19/31/607601931.db2.gz OUDURGIMQXHMAR-AWEZNQCLSA-N -1 3 392.485 0.742 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000826496221 607601932 /nfs/dbraw/zinc/60/19/32/607601932.db2.gz OUDURGIMQXHMAR-AWEZNQCLSA-N -1 3 392.485 0.742 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@](C)(C(N)=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826301413 607602535 /nfs/dbraw/zinc/60/25/35/607602535.db2.gz DTQTWGMHCZBRFA-KRWDZBQOSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@](C)(C(N)=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826301413 607602536 /nfs/dbraw/zinc/60/25/36/607602536.db2.gz DTQTWGMHCZBRFA-KRWDZBQOSA-N -1 3 386.437 0.854 20 0 GCADHM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1=O ZINC000824296846 607602926 /nfs/dbraw/zinc/60/29/26/607602926.db2.gz KYVMXLDZMNIDLX-SNVBAGLBSA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1=O ZINC000824296846 607602928 /nfs/dbraw/zinc/60/29/28/607602928.db2.gz KYVMXLDZMNIDLX-SNVBAGLBSA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1=O ZINC000824296845 607602932 /nfs/dbraw/zinc/60/29/32/607602932.db2.gz KYVMXLDZMNIDLX-JTQLQIEISA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1=O ZINC000824296845 607602934 /nfs/dbraw/zinc/60/29/34/607602934.db2.gz KYVMXLDZMNIDLX-JTQLQIEISA-N -1 3 384.849 0.808 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCCC[C@@H]1C1OCCO1 ZINC000826495046 607604095 /nfs/dbraw/zinc/60/40/95/607604095.db2.gz ARMMHLWFLUZAGL-GFCCVEGCSA-N -1 3 383.405 0.922 20 0 GCADHM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826098811 607604765 /nfs/dbraw/zinc/60/47/65/607604765.db2.gz PSPWUKZYEURXAB-VIFPVBQESA-N -1 3 383.405 0.968 20 0 GCADHM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826098810 607604925 /nfs/dbraw/zinc/60/49/25/607604925.db2.gz PSPWUKZYEURXAB-SECBINFHSA-N -1 3 383.405 0.968 20 0 GCADHM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825838789 607604928 /nfs/dbraw/zinc/60/49/28/607604928.db2.gz CFOFBOCWRLUVMT-JTQLQIEISA-N -1 3 386.434 0.158 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000826329191 607605090 /nfs/dbraw/zinc/60/50/90/607605090.db2.gz SVUXKRCQKKZSSE-JTQLQIEISA-N -1 3 378.393 0.199 20 0 GCADHM COCCN1CCC[C@H]1CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826159887 607606570 /nfs/dbraw/zinc/60/65/70/607606570.db2.gz WQFRIHKBECAECA-NSHDSACASA-N -1 3 384.437 0.395 20 0 GCADHM COc1ccc(CNC(=O)CCSc2nnnn2C)cc1-c1nnn[n-]1 ZINC000826196726 607608715 /nfs/dbraw/zinc/60/87/15/607608715.db2.gz MJSGVVYETQPYML-UHFFFAOYSA-N -1 3 375.418 0.197 20 0 GCADHM COc1ccc(CNC(=O)CCSc2nnnn2C)cc1-c1nn[n-]n1 ZINC000826196726 607608717 /nfs/dbraw/zinc/60/87/17/607608717.db2.gz MJSGVVYETQPYML-UHFFFAOYSA-N -1 3 375.418 0.197 20 0 GCADHM CCc1nc(CCNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)no1 ZINC000825744811 607609678 /nfs/dbraw/zinc/60/96/78/607609678.db2.gz FUSLHSJHOQAJOI-UHFFFAOYSA-N -1 3 383.821 0.987 20 0 GCADHM CCc1nc(CCNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)no1 ZINC000825744811 607609679 /nfs/dbraw/zinc/60/96/79/607609679.db2.gz FUSLHSJHOQAJOI-UHFFFAOYSA-N -1 3 383.821 0.987 20 0 GCADHM C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824412920 607610045 /nfs/dbraw/zinc/61/00/45/607610045.db2.gz HGRKKEXIYOULGS-LLVKDONJSA-N -1 3 399.908 0.434 20 0 GCADHM COc1ccc(COC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nnn[n-]1 ZINC000826204578 607610454 /nfs/dbraw/zinc/61/04/54/607610454.db2.gz QMOGOVKYHZDJAJ-LKFCYVNXSA-N -1 3 375.385 0.194 20 0 GCADHM COc1ccc(COC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nn[n-]n1 ZINC000826204578 607610455 /nfs/dbraw/zinc/61/04/55/607610455.db2.gz QMOGOVKYHZDJAJ-LKFCYVNXSA-N -1 3 375.385 0.194 20 0 GCADHM COCCN1CCC[C@H](NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC000826159892 607610705 /nfs/dbraw/zinc/61/07/05/607610705.db2.gz WTHAIMYBHPAUGM-ZDUSSCGKSA-N -1 3 380.474 0.564 20 0 GCADHM COCCN1CCC[C@H](NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC000826159892 607610706 /nfs/dbraw/zinc/61/07/06/607610706.db2.gz WTHAIMYBHPAUGM-ZDUSSCGKSA-N -1 3 380.474 0.564 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825399394 607612989 /nfs/dbraw/zinc/61/29/89/607612989.db2.gz RZPPKLLBPVGZET-CYBMUJFWSA-N -1 3 378.458 0.888 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825399394 607612990 /nfs/dbraw/zinc/61/29/90/607612990.db2.gz RZPPKLLBPVGZET-CYBMUJFWSA-N -1 3 378.458 0.888 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1c1ccccc1 ZINC000826477476 607614069 /nfs/dbraw/zinc/61/40/69/607614069.db2.gz DVYYWIWZQJTHQZ-CQSZACIVSA-N -1 3 384.421 0.951 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1c1ccccc1 ZINC000826477476 607614071 /nfs/dbraw/zinc/61/40/71/607614071.db2.gz DVYYWIWZQJTHQZ-CQSZACIVSA-N -1 3 384.421 0.951 20 0 GCADHM Cc1cccc(S(=O)(=O)NCc2cnc(N(C)C)n2C)c1-c1nnn[n-]1 ZINC000826303329 607615309 /nfs/dbraw/zinc/61/53/09/607615309.db2.gz KNIKKJALQTYFMK-UHFFFAOYSA-N -1 3 376.446 0.453 20 0 GCADHM Cc1cccc(S(=O)(=O)NCc2cnc(N(C)C)n2C)c1-c1nn[n-]n1 ZINC000826303329 607615312 /nfs/dbraw/zinc/61/53/12/607615312.db2.gz KNIKKJALQTYFMK-UHFFFAOYSA-N -1 3 376.446 0.453 20 0 GCADHM NC(=O)c1ccc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)o1 ZINC000826393151 607615530 /nfs/dbraw/zinc/61/55/30/607615530.db2.gz DYTKZJCLCDICOV-UHFFFAOYSA-N -1 3 381.308 0.966 20 0 GCADHM NC(=O)c1ccc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)o1 ZINC000826393151 607615532 /nfs/dbraw/zinc/61/55/32/607615532.db2.gz DYTKZJCLCDICOV-UHFFFAOYSA-N -1 3 381.308 0.966 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCCC1 ZINC000824342270 607616010 /nfs/dbraw/zinc/61/60/10/607616010.db2.gz OGVIFRPNMIKBHI-AWEZNQCLSA-N -1 3 396.448 0.931 20 0 GCADHM CNc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C2 ZINC000826090792 607618618 /nfs/dbraw/zinc/61/86/18/607618618.db2.gz PFLJBPBHGOODQB-UHFFFAOYSA-N -1 3 390.404 0.585 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H](C)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826302661 607621362 /nfs/dbraw/zinc/62/13/62/607621362.db2.gz PGCZKSHBKIQYDX-GFCCVEGCSA-N -1 3 380.474 0.422 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H](C)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826302661 607621364 /nfs/dbraw/zinc/62/13/64/607621364.db2.gz PGCZKSHBKIQYDX-GFCCVEGCSA-N -1 3 380.474 0.422 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)o1 ZINC000826392834 607622418 /nfs/dbraw/zinc/62/24/18/607622418.db2.gz OQSHEBZNZXCLOT-UHFFFAOYSA-N -1 3 385.359 0.660 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)o1 ZINC000826392834 607622419 /nfs/dbraw/zinc/62/24/19/607622419.db2.gz OQSHEBZNZXCLOT-UHFFFAOYSA-N -1 3 385.359 0.660 20 0 GCADHM CNc1cc2c(nn1)CCN(C(=O)NCc1ccc(OC)c(-c3nnn[n-]3)c1)C2 ZINC000826090640 607624524 /nfs/dbraw/zinc/62/45/24/607624524.db2.gz KHYRSBLOGOBYQP-UHFFFAOYSA-N -1 3 395.427 0.975 20 0 GCADHM CNc1cc2c(nn1)CCN(C(=O)NCc1ccc(OC)c(-c3nn[n-]n3)c1)C2 ZINC000826090640 607624526 /nfs/dbraw/zinc/62/45/26/607624526.db2.gz KHYRSBLOGOBYQP-UHFFFAOYSA-N -1 3 395.427 0.975 20 0 GCADHM CCOCCN1CCN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000825598828 607624584 /nfs/dbraw/zinc/62/45/84/607624584.db2.gz CRLNAMHZJIXMIL-UHFFFAOYSA-N -1 3 389.460 0.739 20 0 GCADHM CCOCCN1CCN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000825598828 607624586 /nfs/dbraw/zinc/62/45/86/607624586.db2.gz CRLNAMHZJIXMIL-UHFFFAOYSA-N -1 3 389.460 0.739 20 0 GCADHM COc1ccc(CNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1-c1nnn[n-]1 ZINC000826198375 607625175 /nfs/dbraw/zinc/62/51/75/607625175.db2.gz WOBKXXUHSZEOIP-KBPBESRZSA-N -1 3 385.428 0.828 20 0 GCADHM COc1ccc(CNC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000826198375 607625177 /nfs/dbraw/zinc/62/51/77/607625177.db2.gz WOBKXXUHSZEOIP-KBPBESRZSA-N -1 3 385.428 0.828 20 0 GCADHM COc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826189542 607626002 /nfs/dbraw/zinc/62/60/02/607626002.db2.gz YGYXMISIPXGQRG-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826189542 607626003 /nfs/dbraw/zinc/62/60/03/607626003.db2.gz YGYXMISIPXGQRG-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM CC(C)COC[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824271653 607626240 /nfs/dbraw/zinc/62/62/40/607626240.db2.gz QGHAXYBVYWRJHY-LLVKDONJSA-N -1 3 389.865 0.832 20 0 GCADHM CC(C)COC[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824271653 607626241 /nfs/dbraw/zinc/62/62/41/607626241.db2.gz QGHAXYBVYWRJHY-LLVKDONJSA-N -1 3 389.865 0.832 20 0 GCADHM O=S(=O)(c1cccc(Cl)c1-c1nnn[n-]1)N1CCCN(CCO)CC1 ZINC000826495514 607626297 /nfs/dbraw/zinc/62/62/97/607626297.db2.gz SBJGOTDQTVQCDL-UHFFFAOYSA-N -1 3 386.865 0.209 20 0 GCADHM O=S(=O)(c1cccc(Cl)c1-c1nn[n-]n1)N1CCCN(CCO)CC1 ZINC000826495514 607626298 /nfs/dbraw/zinc/62/62/98/607626298.db2.gz SBJGOTDQTVQCDL-UHFFFAOYSA-N -1 3 386.865 0.209 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccccc1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826489067 607627043 /nfs/dbraw/zinc/62/70/43/607627043.db2.gz HBXPGBDMFFJXLA-NSHDSACASA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccccc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826489067 607627045 /nfs/dbraw/zinc/62/70/45/607627045.db2.gz HBXPGBDMFFJXLA-NSHDSACASA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826489362 607629365 /nfs/dbraw/zinc/62/93/65/607629365.db2.gz NKTNWNCFDGWZBE-ZDUSSCGKSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccc(F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826489362 607629367 /nfs/dbraw/zinc/62/93/67/607629367.db2.gz NKTNWNCFDGWZBE-ZDUSSCGKSA-N -1 3 393.400 0.724 20 0 GCADHM CCOc1ncccc1NC(=O)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825658719 607630129 /nfs/dbraw/zinc/63/01/29/607630129.db2.gz JGAXWAMYDYPXSN-UHFFFAOYSA-N -1 3 397.395 0.924 20 0 GCADHM CCOc1ncccc1NC(=O)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825658719 607630130 /nfs/dbraw/zinc/63/01/30/607630130.db2.gz JGAXWAMYDYPXSN-UHFFFAOYSA-N -1 3 397.395 0.924 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000825621436 607630145 /nfs/dbraw/zinc/63/01/45/607630145.db2.gz TULSCGZVJLSOMU-DGCLKSJQSA-N -1 3 388.428 0.823 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]([C@@H](C)O)C1 ZINC000825621436 607630147 /nfs/dbraw/zinc/63/01/47/607630147.db2.gz TULSCGZVJLSOMU-DGCLKSJQSA-N -1 3 388.428 0.823 20 0 GCADHM COc1cccc([C@@H](O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826215728 607630873 /nfs/dbraw/zinc/63/08/73/607630873.db2.gz XIWBCHYJJBBAQS-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@@H](O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826215728 607630874 /nfs/dbraw/zinc/63/08/74/607630874.db2.gz XIWBCHYJJBBAQS-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826489484 607632434 /nfs/dbraw/zinc/63/24/34/607632434.db2.gz QQXFXDOVOKFYHR-GFCCVEGCSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826489484 607632436 /nfs/dbraw/zinc/63/24/36/607632436.db2.gz QQXFXDOVOKFYHR-GFCCVEGCSA-N -1 3 377.401 0.888 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826111610 607632455 /nfs/dbraw/zinc/63/24/55/607632455.db2.gz IEJTUNPDAMPLNJ-GFCCVEGCSA-N -1 3 380.792 0.301 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826111610 607632457 /nfs/dbraw/zinc/63/24/57/607632457.db2.gz IEJTUNPDAMPLNJ-GFCCVEGCSA-N -1 3 380.792 0.301 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111281 607632519 /nfs/dbraw/zinc/63/25/19/607632519.db2.gz CJEDXJYSKPIWNU-IAQYHMDHSA-N -1 3 389.412 0.407 20 0 GCADHM O=S(=O)(NCCSCCCO)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826491738 607632611 /nfs/dbraw/zinc/63/26/11/607632611.db2.gz YIDULQXEEDQDAQ-UHFFFAOYSA-N -1 3 377.879 0.914 20 0 GCADHM O=S(=O)(NCCSCCCO)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826491738 607632612 /nfs/dbraw/zinc/63/26/12/607632612.db2.gz YIDULQXEEDQDAQ-UHFFFAOYSA-N -1 3 377.879 0.914 20 0 GCADHM O=C(NCC1(CO)COC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826433547 607632796 /nfs/dbraw/zinc/63/27/96/607632796.db2.gz KELUDTFDUIATJL-UHFFFAOYSA-N -1 3 385.380 0.777 20 0 GCADHM O=C(NCC1(CO)COC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826433547 607632797 /nfs/dbraw/zinc/63/27/97/607632797.db2.gz KELUDTFDUIATJL-UHFFFAOYSA-N -1 3 385.380 0.777 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N(CCO)Cc1cccnc1 ZINC000826495205 607633383 /nfs/dbraw/zinc/63/33/83/607633383.db2.gz HGWLUDYNWMJKGN-UHFFFAOYSA-N -1 3 378.389 0.584 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCC[C@H](OCCO)C1 ZINC000826494966 607634282 /nfs/dbraw/zinc/63/42/82/607634282.db2.gz XBRNFIZUUXJHIE-NSHDSACASA-N -1 3 387.849 0.682 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000826495986 607635105 /nfs/dbraw/zinc/63/51/05/607635105.db2.gz HXOIJZKCRJJIHQ-ONGXEEELSA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000826495986 607635107 /nfs/dbraw/zinc/63/51/07/607635107.db2.gz HXOIJZKCRJJIHQ-ONGXEEELSA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000826495985 607635264 /nfs/dbraw/zinc/63/52/64/607635264.db2.gz HXOIJZKCRJJIHQ-MWLCHTKSSA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000826495985 607635265 /nfs/dbraw/zinc/63/52/65/607635265.db2.gz HXOIJZKCRJJIHQ-MWLCHTKSSA-N -1 3 377.348 0.943 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2nccn(C)c2=O)CC1 ZINC000826183581 607637260 /nfs/dbraw/zinc/63/72/60/607637260.db2.gz UEMIVMGHPLZUJA-UHFFFAOYSA-N -1 3 382.428 0.291 20 0 GCADHM O=S(=O)(N[C@@H](CO)C1CC1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826487520 607639191 /nfs/dbraw/zinc/63/91/91/607639191.db2.gz QUQQBMAYFTUBAE-NSHDSACASA-N -1 3 388.247 0.678 20 0 GCADHM O=S(=O)(N[C@@H](CO)C1CC1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826487520 607639193 /nfs/dbraw/zinc/63/91/93/607639193.db2.gz QUQQBMAYFTUBAE-NSHDSACASA-N -1 3 388.247 0.678 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H](OCCO)C1 ZINC000826494013 607634732 /nfs/dbraw/zinc/63/47/32/607634732.db2.gz LRAJKMRKWJCMBP-JTQLQIEISA-N -1 3 389.384 0.307 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H](OCCO)C1 ZINC000826494013 607634733 /nfs/dbraw/zinc/63/47/33/607634733.db2.gz LRAJKMRKWJCMBP-JTQLQIEISA-N -1 3 389.384 0.307 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825011995 607639733 /nfs/dbraw/zinc/63/97/33/607639733.db2.gz BZLQKAWJOMETJY-QMMMGPOBSA-N -1 3 391.862 0.328 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826222533 607642742 /nfs/dbraw/zinc/64/27/42/607642742.db2.gz ZWESQLZRPAMGFW-GHMZBOCLSA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826222533 607642745 /nfs/dbraw/zinc/64/27/45/607642745.db2.gz ZWESQLZRPAMGFW-GHMZBOCLSA-N -1 3 385.471 0.501 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC000825581923 607643793 /nfs/dbraw/zinc/64/37/93/607643793.db2.gz GDXZGQIWGXSBOU-HUUCEWRRSA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC000825581923 607643794 /nfs/dbraw/zinc/64/37/94/607643794.db2.gz GDXZGQIWGXSBOU-HUUCEWRRSA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC000825581922 607644090 /nfs/dbraw/zinc/64/40/90/607644090.db2.gz GDXZGQIWGXSBOU-GJZGRUSLSA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@H]1C[C@H](O)C12CCN(S(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC000825581922 607644092 /nfs/dbraw/zinc/64/40/92/607644092.db2.gz GDXZGQIWGXSBOU-GJZGRUSLSA-N -1 3 393.469 0.807 20 0 GCADHM COc1cccc([C@@H](CO)NS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826215679 607645758 /nfs/dbraw/zinc/64/57/58/607645758.db2.gz WCYOZQMPAHCZJJ-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@@H](CO)NS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826215679 607645759 /nfs/dbraw/zinc/64/57/59/607645759.db2.gz WCYOZQMPAHCZJJ-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC000824706064 607648422 /nfs/dbraw/zinc/64/84/22/607648422.db2.gz GJDMAPXGEIDWBT-GHMZBOCLSA-N -1 3 384.437 0.081 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC000824706064 607648424 /nfs/dbraw/zinc/64/84/24/607648424.db2.gz GJDMAPXGEIDWBT-GHMZBOCLSA-N -1 3 384.437 0.081 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826494979 607653639 /nfs/dbraw/zinc/65/36/39/607653639.db2.gz XRQBJEUULRFWDD-LLVKDONJSA-N -1 3 381.311 0.694 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826494979 607653640 /nfs/dbraw/zinc/65/36/40/607653640.db2.gz XRQBJEUULRFWDD-LLVKDONJSA-N -1 3 381.311 0.694 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CCN1C[C@@H](C)O ZINC000825209999 607650047 /nfs/dbraw/zinc/65/00/47/607650047.db2.gz DOMDUOKQDWMCOM-ZIAGYGMSSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CCN1C[C@@H](C)O ZINC000825209999 607650048 /nfs/dbraw/zinc/65/00/48/607650048.db2.gz DOMDUOKQDWMCOM-ZIAGYGMSSA-N -1 3 394.501 0.641 20 0 GCADHM Cn1cc(CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(C(F)(F)F)n1 ZINC000826361331 607652093 /nfs/dbraw/zinc/65/20/93/607652093.db2.gz TWYYRPYYXRSYOQ-LLVKDONJSA-N -1 3 380.334 0.935 20 0 GCADHM Cn1cc(CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)n1 ZINC000826361331 607652095 /nfs/dbraw/zinc/65/20/95/607652095.db2.gz TWYYRPYYXRSYOQ-LLVKDONJSA-N -1 3 380.334 0.935 20 0 GCADHM CCOC(=O)C1(O)CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000825499522 607652254 /nfs/dbraw/zinc/65/22/54/607652254.db2.gz NZGDKURMAKTQSC-UHFFFAOYSA-N -1 3 395.441 0.254 20 0 GCADHM CCOC(=O)C1(O)CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000825499522 607652256 /nfs/dbraw/zinc/65/22/56/607652256.db2.gz NZGDKURMAKTQSC-UHFFFAOYSA-N -1 3 395.441 0.254 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC000826302853 607655103 /nfs/dbraw/zinc/65/51/03/607655103.db2.gz UPHQTPIXXRZAGH-TUAOUCFPSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000826302853 607655105 /nfs/dbraw/zinc/65/51/05/607655105.db2.gz UPHQTPIXXRZAGH-TUAOUCFPSA-N -1 3 376.442 0.463 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000826496198 607655682 /nfs/dbraw/zinc/65/56/82/607655682.db2.gz OCGKAWVEMGLJIH-CQSZACIVSA-N -1 3 392.485 0.742 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000826496198 607655683 /nfs/dbraw/zinc/65/56/83/607655683.db2.gz OCGKAWVEMGLJIH-CQSZACIVSA-N -1 3 392.485 0.742 20 0 GCADHM COC(=O)CN(C1CCOCC1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826138536 607656344 /nfs/dbraw/zinc/65/63/44/607656344.db2.gz YRNUVGFIQWXALW-UHFFFAOYSA-N -1 3 399.404 0.349 20 0 GCADHM CC(C)(C)OC(=O)NCc1nnnn1CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824114643 607659820 /nfs/dbraw/zinc/65/98/20/607659820.db2.gz YKHQAMJBOFODPV-UHFFFAOYSA-N -1 3 385.388 0.761 20 0 GCADHM CC(C)(C)OC(=O)NCc1nnnn1CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824114643 607659821 /nfs/dbraw/zinc/65/98/21/607659821.db2.gz YKHQAMJBOFODPV-UHFFFAOYSA-N -1 3 385.388 0.761 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000826248569 607664841 /nfs/dbraw/zinc/66/48/41/607664841.db2.gz OBCWYMIJEYDYOI-UHFFFAOYSA-N -1 3 382.428 0.690 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000826248569 607664842 /nfs/dbraw/zinc/66/48/42/607664842.db2.gz OBCWYMIJEYDYOI-UHFFFAOYSA-N -1 3 382.428 0.690 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000826244970 607665129 /nfs/dbraw/zinc/66/51/29/607665129.db2.gz JMBLSEVKAZEZBA-UHFFFAOYSA-N -1 3 397.439 0.082 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000826244970 607665131 /nfs/dbraw/zinc/66/51/31/607665131.db2.gz JMBLSEVKAZEZBA-UHFFFAOYSA-N -1 3 397.439 0.082 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1C(F)(F)F)N1CCO[C@@H](CO)C1 ZINC000826494127 607666722 /nfs/dbraw/zinc/66/67/22/607666722.db2.gz PFLKJLVSGABDQV-SECBINFHSA-N -1 3 393.347 0.267 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)N1CCO[C@@H](CO)C1 ZINC000826494127 607666724 /nfs/dbraw/zinc/66/67/24/607666724.db2.gz PFLKJLVSGABDQV-SECBINFHSA-N -1 3 393.347 0.267 20 0 GCADHM COc1ccnc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3C)CC2)n1 ZINC000826220900 607668410 /nfs/dbraw/zinc/66/84/10/607668410.db2.gz GAJFAXYFPDPGRN-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM COc1ccnc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3C)CC2)n1 ZINC000826220900 607668411 /nfs/dbraw/zinc/66/84/11/607668411.db2.gz GAJFAXYFPDPGRN-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM O=S(=O)(N[C@H]1CCN(c2ncccc2F)C1)c1ccccc1-c1nnn[n-]1 ZINC000826488288 607669317 /nfs/dbraw/zinc/66/93/17/607669317.db2.gz MHAKEMCGEOROHF-NSHDSACASA-N -1 3 389.416 0.958 20 0 GCADHM O=S(=O)(N[C@H]1CCN(c2ncccc2F)C1)c1ccccc1-c1nn[n-]n1 ZINC000826488288 607669319 /nfs/dbraw/zinc/66/93/19/607669319.db2.gz MHAKEMCGEOROHF-NSHDSACASA-N -1 3 389.416 0.958 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC(OCCCO)CC1 ZINC000826495480 607670312 /nfs/dbraw/zinc/67/03/12/607670312.db2.gz QJUOPLCEAUCWED-UHFFFAOYSA-N -1 3 385.421 0.558 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000826301062 607670831 /nfs/dbraw/zinc/67/08/31/607670831.db2.gz PYODQSAODYDDMW-NWDGAFQWSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826301062 607670834 /nfs/dbraw/zinc/67/08/34/607670834.db2.gz PYODQSAODYDDMW-NWDGAFQWSA-N -1 3 376.442 0.607 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@@H]2CCCC[C@@H]2N1 ZINC000826481119 607671269 /nfs/dbraw/zinc/67/12/69/607671269.db2.gz IHOAJDADJGWPDG-NWDGAFQWSA-N -1 3 380.405 0.438 20 0 GCADHM CCc1nnc(N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c(-c2nnn[n-]2)c1CC ZINC000825768114 607674622 /nfs/dbraw/zinc/67/46/22/607674622.db2.gz ZKOMVWXRHDRCJC-GOSISDBHSA-N -1 3 399.459 0.691 20 0 GCADHM CCc1nnc(N2CC[C@]3(C2)NC(=O)N(C(C)C)C3=O)c(-c2nn[n-]n2)c1CC ZINC000825768114 607674624 /nfs/dbraw/zinc/67/46/24/607674624.db2.gz ZKOMVWXRHDRCJC-GOSISDBHSA-N -1 3 399.459 0.691 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000826248700 607678157 /nfs/dbraw/zinc/67/81/57/607678157.db2.gz UARXVNQYVXXOMD-UHFFFAOYSA-N -1 3 378.458 0.577 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000826248700 607678159 /nfs/dbraw/zinc/67/81/59/607678159.db2.gz UARXVNQYVXXOMD-UHFFFAOYSA-N -1 3 378.458 0.577 20 0 GCADHM NC(=O)C1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)CCC1 ZINC000826390002 607680277 /nfs/dbraw/zinc/68/02/77/607680277.db2.gz NQKHFHWADUFKDU-UHFFFAOYSA-N -1 3 390.347 0.572 20 0 GCADHM COCCn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)cn1 ZINC000826163966 607683316 /nfs/dbraw/zinc/68/33/16/607683316.db2.gz SSCJHMSGJNXBII-UHFFFAOYSA-N -1 3 380.386 0.486 20 0 GCADHM COCCn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)cn1 ZINC000826163966 607683317 /nfs/dbraw/zinc/68/33/17/607683317.db2.gz SSCJHMSGJNXBII-UHFFFAOYSA-N -1 3 380.386 0.486 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826138174 607687598 /nfs/dbraw/zinc/68/75/98/607687598.db2.gz IMJFHTJLMRTHSQ-UHFFFAOYSA-N -1 3 388.428 0.123 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826138174 607687600 /nfs/dbraw/zinc/68/76/00/607687600.db2.gz IMJFHTJLMRTHSQ-UHFFFAOYSA-N -1 3 388.428 0.123 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825875460 607688125 /nfs/dbraw/zinc/68/81/25/607688125.db2.gz QHXZJYNGNWGRAJ-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825875460 607688127 /nfs/dbraw/zinc/68/81/27/607688127.db2.gz QHXZJYNGNWGRAJ-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CCOC(=O)NCCCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000825523193 607688570 /nfs/dbraw/zinc/68/85/70/607688570.db2.gz NXZGFYDEXAWJKU-UHFFFAOYSA-N -1 3 388.432 0.437 20 0 GCADHM CCOC(=O)NCCCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000825523193 607688572 /nfs/dbraw/zinc/68/85/72/607688572.db2.gz NXZGFYDEXAWJKU-UHFFFAOYSA-N -1 3 388.432 0.437 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000830935248 604372178 /nfs/dbraw/zinc/37/21/78/604372178.db2.gz TYLVMACVDKXUQJ-AEFFLSMTSA-N -1 3 391.468 0.363 20 0 GCADHM COCCn1cc(S(=O)(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cn1 ZINC000826163634 607689026 /nfs/dbraw/zinc/68/90/26/607689026.db2.gz DGGUVYKXCJIIOS-UHFFFAOYSA-N -1 3 393.429 0.197 20 0 GCADHM COCCn1cc(S(=O)(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cn1 ZINC000826163634 607689028 /nfs/dbraw/zinc/68/90/28/607689028.db2.gz DGGUVYKXCJIIOS-UHFFFAOYSA-N -1 3 393.429 0.197 20 0 GCADHM COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)c1 ZINC000826213918 607691800 /nfs/dbraw/zinc/69/18/00/607691800.db2.gz RQBIRWNLDBHMPH-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)c1 ZINC000826213918 607691802 /nfs/dbraw/zinc/69/18/02/607691802.db2.gz RQBIRWNLDBHMPH-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000833701565 604476385 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392.420 0.698 20 0 GCADHM CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825898034 607745700 /nfs/dbraw/zinc/74/57/00/607745700.db2.gz WJJDQFGNXPXEHQ-UHFFFAOYSA-N -1 3 394.501 0.846 20 0 GCADHM CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825898034 607745701 /nfs/dbraw/zinc/74/57/01/607745701.db2.gz WJJDQFGNXPXEHQ-UHFFFAOYSA-N -1 3 394.501 0.846 20 0 GCADHM CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825897018 607745881 /nfs/dbraw/zinc/74/58/81/607745881.db2.gz BBAAHOIPTVPDEM-UHFFFAOYSA-N -1 3 394.501 0.846 20 0 GCADHM CN(CC(C)(C)CN1CCOCC1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825897018 607745882 /nfs/dbraw/zinc/74/58/82/607745882.db2.gz BBAAHOIPTVPDEM-UHFFFAOYSA-N -1 3 394.501 0.846 20 0 GCADHM O=C(COc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N1CCOCC1 ZINC000826458005 607747320 /nfs/dbraw/zinc/74/73/20/607747320.db2.gz ZIELURCYLOSFLS-UHFFFAOYSA-N -1 3 397.395 0.685 20 0 GCADHM O=C(COc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N1CCOCC1 ZINC000826458005 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Cn1cc(N2CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000822681638 606117321 /nfs/dbraw/zinc/11/73/21/606117321.db2.gz ZQVHYNPPARBIOD-UHFFFAOYSA-N -1 3 380.412 0.408 20 0 GCADHM Cn1cc(N2CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822681638 606117323 /nfs/dbraw/zinc/11/73/23/606117323.db2.gz ZQVHYNPPARBIOD-UHFFFAOYSA-N -1 3 380.412 0.408 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC000822673879 606117387 /nfs/dbraw/zinc/11/73/87/606117387.db2.gz FIDJJAPSYOZDTA-CYBMUJFWSA-N -1 3 396.459 0.681 20 0 GCADHM Cn1cc(C[C@H]2CCN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC000822673879 606117389 /nfs/dbraw/zinc/11/73/89/606117389.db2.gz FIDJJAPSYOZDTA-CYBMUJFWSA-N -1 3 396.459 0.681 20 0 GCADHM O=C(CCN1CCO[C@H](CO)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822969454 606117522 /nfs/dbraw/zinc/11/75/22/606117522.db2.gz OQWMHPINYMUNDR-NSHDSACASA-N -1 3 392.485 0.829 20 0 GCADHM O=C(CCN1CCO[C@H](CO)C1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822969454 606117524 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Cc1cccc(NC(=O)C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c1-c1nnn[n-]1 ZINC000822308661 606120968 /nfs/dbraw/zinc/12/09/68/606120968.db2.gz IFCCKXNBVVVUPN-CYBMUJFWSA-N -1 3 394.439 0.938 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)c1-c1nn[n-]n1 ZINC000822308661 606120969 /nfs/dbraw/zinc/12/09/69/606120969.db2.gz IFCCKXNBVVVUPN-CYBMUJFWSA-N -1 3 394.439 0.938 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000819789830 606121288 /nfs/dbraw/zinc/12/12/88/606121288.db2.gz ZJVRBPUVFHGFOC-IBGZPJMESA-N -1 3 398.471 0.605 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000819789830 606121290 /nfs/dbraw/zinc/12/12/90/606121290.db2.gz ZJVRBPUVFHGFOC-IBGZPJMESA-N -1 3 398.471 0.605 20 0 GCADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(=O)N1CC[C@@H](O)C1 ZINC000823350285 606121612 /nfs/dbraw/zinc/12/16/12/606121612.db2.gz HMOADSJFTOBCCD-CYBMUJFWSA-N -1 3 395.379 0.586 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000820295091 606122113 /nfs/dbraw/zinc/12/21/13/606122113.db2.gz XVNSIZPBUPGHQV-NSHDSACASA-N -1 3 396.448 0.335 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)CS(C)(=O)=O ZINC000821689535 606122386 /nfs/dbraw/zinc/12/23/86/606122386.db2.gz BSAKDVLYEVRZOB-LBPRGKRZSA-N -1 3 381.458 0.522 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)CS(C)(=O)=O ZINC000821689535 606122388 /nfs/dbraw/zinc/12/23/88/606122388.db2.gz BSAKDVLYEVRZOB-LBPRGKRZSA-N -1 3 381.458 0.522 20 0 GCADHM CS(=O)(=O)CC1(CC(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000821920803 606122423 /nfs/dbraw/zinc/12/24/23/606122423.db2.gz YIRRTUTUXPSGKR-UHFFFAOYSA-N -1 3 379.446 0.005 20 0 GCADHM CS(=O)(=O)CC1(CC(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000821920803 606122426 /nfs/dbraw/zinc/12/24/26/606122426.db2.gz YIRRTUTUXPSGKR-UHFFFAOYSA-N -1 3 379.446 0.005 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820294899 606123293 /nfs/dbraw/zinc/12/32/93/606123293.db2.gz WLKUOBNYNZVIRR-LBPRGKRZSA-N -1 3 393.469 0.917 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820294899 606123295 /nfs/dbraw/zinc/12/32/95/606123295.db2.gz WLKUOBNYNZVIRR-LBPRGKRZSA-N -1 3 393.469 0.917 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820353410 606129485 /nfs/dbraw/zinc/12/94/85/606129485.db2.gz ZSKFUUBRUBYAQA-GFCCVEGCSA-N -1 3 395.427 0.720 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820353410 606129486 /nfs/dbraw/zinc/12/94/86/606129486.db2.gz ZSKFUUBRUBYAQA-GFCCVEGCSA-N -1 3 395.427 0.720 20 0 GCADHM CNC(=O)Cc1noc(COC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000821634189 606130457 /nfs/dbraw/zinc/13/04/57/606130457.db2.gz WDCFNGGCUNXOIM-SECBINFHSA-N -1 3 387.356 0.049 20 0 GCADHM CNC(=O)Cc1noc(COC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)n1 ZINC000821634189 606130459 /nfs/dbraw/zinc/13/04/59/606130459.db2.gz WDCFNGGCUNXOIM-SECBINFHSA-N -1 3 387.356 0.049 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)O[C@H]1CCN(C2CCOCC2)C1=O ZINC000823054601 606130657 /nfs/dbraw/zinc/13/06/57/606130657.db2.gz BJPRFOBWDBXHHS-HNNXBMFYSA-N -1 3 387.396 0.569 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)O[C@H]1CCN(C2CCOCC2)C1=O ZINC000823054601 606130659 /nfs/dbraw/zinc/13/06/59/606130659.db2.gz BJPRFOBWDBXHHS-HNNXBMFYSA-N -1 3 387.396 0.569 20 0 GCADHM C[C@]1(c2ccco2)NC(=O)N(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820636045 606130745 /nfs/dbraw/zinc/13/07/45/606130745.db2.gz PDPMIDYHCUGPDU-KZULUSFZSA-N -1 3 398.379 0.667 20 0 GCADHM COC(=O)[C@H](OC(=O)Cn1nnnc1C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648551 606130956 /nfs/dbraw/zinc/13/09/56/606130956.db2.gz MTHOZKOWEYNIMQ-CYBMUJFWSA-N -1 3 386.372 0.434 20 0 GCADHM COC(=O)[C@H](OC(=O)Cn1nnnc1C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648551 606130957 /nfs/dbraw/zinc/13/09/57/606130957.db2.gz MTHOZKOWEYNIMQ-CYBMUJFWSA-N -1 3 386.372 0.434 20 0 GCADHM Cc1oc(NC(=O)COC(=O)Cn2nnnc2C(C)C)c(-c2nnn[n-]2)c1C ZINC000822548974 606131560 /nfs/dbraw/zinc/13/15/60/606131560.db2.gz QJAKKXIUOUDXBC-UHFFFAOYSA-N -1 3 389.376 0.368 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000819789745 606131923 /nfs/dbraw/zinc/13/19/23/606131923.db2.gz WVWPDIUSULKLNQ-BBATYDOGSA-N -1 3 386.412 0.995 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000819789745 606131924 /nfs/dbraw/zinc/13/19/24/606131924.db2.gz WVWPDIUSULKLNQ-BBATYDOGSA-N -1 3 386.412 0.995 20 0 GCADHM CCN(C(=O)Cn1cc(C(=O)OC)nn1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821155046 606136333 /nfs/dbraw/zinc/13/63/33/606136333.db2.gz VJULDHITIABBIH-LLVKDONJSA-N -1 3 384.400 0.855 20 0 GCADHM CCN(C(=O)Cn1cc(C(=O)OC)nn1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821155046 606136334 /nfs/dbraw/zinc/13/63/34/606136334.db2.gz VJULDHITIABBIH-LLVKDONJSA-N -1 3 384.400 0.855 20 0 GCADHM NC(=O)c1cc(Cl)nnc1N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822880269 606137108 /nfs/dbraw/zinc/13/71/08/606137108.db2.gz MDPFOBSAAPBAJI-UHFFFAOYSA-N -1 3 386.807 0.131 20 0 GCADHM NC(=O)c1cc(Cl)nnc1N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822880269 606137110 /nfs/dbraw/zinc/13/71/10/606137110.db2.gz MDPFOBSAAPBAJI-UHFFFAOYSA-N -1 3 386.807 0.131 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000819927990 606143903 /nfs/dbraw/zinc/14/39/03/606143903.db2.gz FILCXTLDBHZADI-ZDUSSCGKSA-N -1 3 395.441 0.598 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000819927990 606143905 /nfs/dbraw/zinc/14/39/05/606143905.db2.gz FILCXTLDBHZADI-ZDUSSCGKSA-N -1 3 395.441 0.598 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000819928095 606144308 /nfs/dbraw/zinc/14/43/08/606144308.db2.gz IDUQZVLXFYBJJR-LBPRGKRZSA-N -1 3 395.441 0.598 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000819928095 606144310 /nfs/dbraw/zinc/14/43/10/606144310.db2.gz IDUQZVLXFYBJJR-LBPRGKRZSA-N -1 3 395.441 0.598 20 0 GCADHM CC(C)OCCN1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000820146372 606146058 /nfs/dbraw/zinc/14/60/58/606146058.db2.gz MNFKXXQNOSJTSS-UHFFFAOYSA-N -1 3 395.489 0.429 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C2CCOCC2)CC1 ZINC000822222770 606146464 /nfs/dbraw/zinc/14/64/64/606146464.db2.gz SMLYTOJNMVLBRP-UHFFFAOYSA-N -1 3 392.485 0.660 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C2CCOCC2)CC1 ZINC000822222770 606146466 /nfs/dbraw/zinc/14/64/66/606146466.db2.gz SMLYTOJNMVLBRP-UHFFFAOYSA-N -1 3 392.485 0.660 20 0 GCADHM O=C(COC(=O)Cc1cccc(-c2nnn[n-]2)c1)NCc1ccc2c(c1)OCO2 ZINC000823022896 606147085 /nfs/dbraw/zinc/14/70/85/606147085.db2.gz PFMVIJBEAWKOMO-UHFFFAOYSA-N -1 3 395.375 0.998 20 0 GCADHM O=C(COC(=O)Cc1cccc(-c2nn[n-]n2)c1)NCc1ccc2c(c1)OCO2 ZINC000823022896 606147087 /nfs/dbraw/zinc/14/70/87/606147087.db2.gz PFMVIJBEAWKOMO-UHFFFAOYSA-N -1 3 395.375 0.998 20 0 GCADHM CCOC(=O)[C@H](CC)S(=O)(=O)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821315667 606154562 /nfs/dbraw/zinc/15/45/62/606154562.db2.gz VGVUGTXCJPSRKI-LBPRGKRZSA-N -1 3 381.414 0.562 20 0 GCADHM Cc1cc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nnn[n-]3)C2)nc(C)n1 ZINC000822207040 606155546 /nfs/dbraw/zinc/15/55/46/606155546.db2.gz JBYLYFYJNKYPOY-GFCCVEGCSA-N -1 3 397.447 0.798 20 0 GCADHM Cc1cc(N2CCC[C@@H](NC(=O)Nc3nn(C)cc3-c3nn[n-]n3)C2)nc(C)n1 ZINC000822207040 606155548 /nfs/dbraw/zinc/15/55/48/606155548.db2.gz JBYLYFYJNKYPOY-GFCCVEGCSA-N -1 3 397.447 0.798 20 0 GCADHM CN(C)c1nc(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)cs1 ZINC000821591066 606158345 /nfs/dbraw/zinc/15/83/45/606158345.db2.gz TUPPBIRYLBUAEZ-UHFFFAOYSA-N -1 3 388.461 0.696 20 0 GCADHM CN(C)c1nc(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)cs1 ZINC000821591066 606158347 /nfs/dbraw/zinc/15/83/47/606158347.db2.gz TUPPBIRYLBUAEZ-UHFFFAOYSA-N -1 3 388.461 0.696 20 0 GCADHM O=C1[C@@H](N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCN1C1CCOCC1 ZINC000823504944 606158876 /nfs/dbraw/zinc/15/88/76/606158876.db2.gz VVPVIQJCGZZTGU-INIZCTEOSA-N -1 3 398.471 0.164 20 0 GCADHM O=C1[C@@H](N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCN1C1CCOCC1 ZINC000823504944 606158878 /nfs/dbraw/zinc/15/88/78/606158878.db2.gz VVPVIQJCGZZTGU-INIZCTEOSA-N -1 3 398.471 0.164 20 0 GCADHM CNc1cc(N2CCC[C@H]2CNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)ncn1 ZINC000821637807 606161274 /nfs/dbraw/zinc/16/12/74/606161274.db2.gz UXLXPCVXOGEXGK-JTQLQIEISA-N -1 3 398.435 0.222 20 0 GCADHM CNc1cc(N2CCC[C@H]2CNC(=O)Nc2nn(C)cc2-c2nn[n-]n2)ncn1 ZINC000821637807 606161275 /nfs/dbraw/zinc/16/12/75/606161275.db2.gz UXLXPCVXOGEXGK-JTQLQIEISA-N -1 3 398.435 0.222 20 0 GCADHM CN(C)C(=O)Cn1cnc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821578194 606161414 /nfs/dbraw/zinc/16/14/14/606161414.db2.gz SALFRCJBJFWYFN-UHFFFAOYSA-N -1 3 388.367 0.007 20 0 GCADHM CN(C)C(=O)Cn1cnc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821578194 606161415 /nfs/dbraw/zinc/16/14/15/606161415.db2.gz SALFRCJBJFWYFN-UHFFFAOYSA-N -1 3 388.367 0.007 20 0 GCADHM CC(C)(C)N1C[C@H](NC(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1=O ZINC000819914606 606173634 /nfs/dbraw/zinc/17/36/34/606173634.db2.gz ZDWTWQVAOPJQMG-LLVKDONJSA-N -1 3 387.448 0.372 20 0 GCADHM CC(C)(C)N1C[C@H](NC(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1=O ZINC000819914606 606173636 /nfs/dbraw/zinc/17/36/36/606173636.db2.gz ZDWTWQVAOPJQMG-LLVKDONJSA-N -1 3 387.448 0.372 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 ZINC000822609635 606173666 /nfs/dbraw/zinc/17/36/66/606173666.db2.gz SPSJXOLAUUSMOE-OAHLLOKOSA-N -1 3 397.443 0.483 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000820674701 606174068 /nfs/dbraw/zinc/17/40/68/606174068.db2.gz GFYLNYZTRKTBSU-KYOSRNDESA-N -1 3 385.428 0.554 20 0 GCADHM CO[C@@H](C)c1noc(CN(c2cccc(-c3nnn[n-]3)c2)S(C)(=O)=O)n1 ZINC000821675936 606175571 /nfs/dbraw/zinc/17/55/71/606175571.db2.gz WWPCTYXAJRCMRT-VIFPVBQESA-N -1 3 379.402 0.923 20 0 GCADHM CO[C@@H](C)c1noc(CN(c2cccc(-c3nn[n-]n3)c2)S(C)(=O)=O)n1 ZINC000821675936 606175572 /nfs/dbraw/zinc/17/55/72/606175572.db2.gz WWPCTYXAJRCMRT-VIFPVBQESA-N -1 3 379.402 0.923 20 0 GCADHM CN(Cc1nnnn1-c1ccccc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821619233 606176674 /nfs/dbraw/zinc/17/66/74/606176674.db2.gz ORKBODSNFGLBGY-UHFFFAOYSA-N -1 3 397.424 0.663 20 0 GCADHM CN(Cc1nnnn1-c1ccccc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821619233 606176676 /nfs/dbraw/zinc/17/66/76/606176676.db2.gz ORKBODSNFGLBGY-UHFFFAOYSA-N -1 3 397.424 0.663 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(Cc3cn4ccccc4c3-c3nnn[n-]3)C2=O)cn1 ZINC000822673964 606177106 /nfs/dbraw/zinc/17/71/06/606177106.db2.gz HUVPBUMCVRQYAD-CYBMUJFWSA-N -1 3 390.407 0.971 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(Cc3cn4ccccc4c3-c3nn[n-]n3)C2=O)cn1 ZINC000822673964 606177108 /nfs/dbraw/zinc/17/71/08/606177108.db2.gz HUVPBUMCVRQYAD-CYBMUJFWSA-N -1 3 390.407 0.971 20 0 GCADHM CO[C@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821675483 606177193 /nfs/dbraw/zinc/17/71/93/606177193.db2.gz MGMWJHDWTGPKPA-SECBINFHSA-N -1 3 379.402 0.778 20 0 GCADHM CO[C@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 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/nfs/dbraw/zinc/25/73/67/606257367.db2.gz NDWCMACPDSBGPW-UHFFFAOYSA-N -1 3 394.439 0.512 20 0 GCADHM Cc1cc(N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)cn3C)C2=O)n(C)n1 ZINC000822207371 606259302 /nfs/dbraw/zinc/25/93/02/606259302.db2.gz TZCNHXYMGMTHBM-GFCCVEGCSA-N -1 3 383.416 0.173 20 0 GCADHM Cc1cc(N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)cn3C)C2=O)n(C)n1 ZINC000822207371 606259303 /nfs/dbraw/zinc/25/93/03/606259303.db2.gz TZCNHXYMGMTHBM-GFCCVEGCSA-N -1 3 383.416 0.173 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823535982 606264506 /nfs/dbraw/zinc/26/45/06/606264506.db2.gz NZJTXPVTFZSKHX-GFCCVEGCSA-N -1 3 397.395 0.249 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823535982 606264508 /nfs/dbraw/zinc/26/45/08/606264508.db2.gz NZJTXPVTFZSKHX-GFCCVEGCSA-N -1 3 397.395 0.249 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000823337602 606270803 /nfs/dbraw/zinc/27/08/03/606270803.db2.gz ORGZYGSVLDOKQW-UHFFFAOYSA-N -1 3 389.372 0.442 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000823337602 606270805 /nfs/dbraw/zinc/27/08/05/606270805.db2.gz ORGZYGSVLDOKQW-UHFFFAOYSA-N -1 3 389.372 0.442 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000822641555 606276272 /nfs/dbraw/zinc/27/62/72/606276272.db2.gz PYLQOGSPKBUAQG-UHFFFAOYSA-N -1 3 381.440 0.967 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000822641555 606276273 /nfs/dbraw/zinc/27/62/73/606276273.db2.gz PYLQOGSPKBUAQG-UHFFFAOYSA-N -1 3 381.440 0.967 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000822649689 606280478 /nfs/dbraw/zinc/28/04/78/606280478.db2.gz JCZMJDCKUXCKGS-KRWDZBQOSA-N -1 3 380.368 0.512 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000822649689 606280480 /nfs/dbraw/zinc/28/04/80/606280480.db2.gz JCZMJDCKUXCKGS-KRWDZBQOSA-N -1 3 380.368 0.512 20 0 GCADHM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823146072 606280686 /nfs/dbraw/zinc/28/06/86/606280686.db2.gz UJJWZSAISCWWEE-ZDUSSCGKSA-N -1 3 381.396 0.605 20 0 GCADHM O=C(N[C@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823146072 606280688 /nfs/dbraw/zinc/28/06/88/606280688.db2.gz UJJWZSAISCWWEE-ZDUSSCGKSA-N -1 3 381.396 0.605 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccc(S(N)(=O)=O)c1 ZINC000820384674 606281460 /nfs/dbraw/zinc/28/14/60/606281460.db2.gz KKRDDRBWQCWWAP-VIFPVBQESA-N -1 3 375.414 0.344 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccc(S(N)(=O)=O)c1 ZINC000820384674 606281461 /nfs/dbraw/zinc/28/14/61/606281461.db2.gz KKRDDRBWQCWWAP-VIFPVBQESA-N -1 3 375.414 0.344 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC1CCN(C(=O)c2ccncc2)CC1 ZINC000822638053 606283583 /nfs/dbraw/zinc/28/35/83/606283583.db2.gz XULMTHMRGRGMID-UHFFFAOYSA-N -1 3 380.412 0.635 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC1CCN(C(=O)c2ccncc2)CC1 ZINC000822638053 606283585 /nfs/dbraw/zinc/28/35/85/606283585.db2.gz XULMTHMRGRGMID-UHFFFAOYSA-N -1 3 380.412 0.635 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000822641749 606285166 /nfs/dbraw/zinc/28/51/66/606285166.db2.gz ZSYITXMMSAWBMU-SFHVURJKSA-N -1 3 394.395 0.190 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000822641749 606285167 /nfs/dbraw/zinc/28/51/67/606285167.db2.gz ZSYITXMMSAWBMU-SFHVURJKSA-N -1 3 394.395 0.190 20 0 GCADHM CNC(=O)N1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821634056 606291447 /nfs/dbraw/zinc/29/14/47/606291447.db2.gz PWAMJQNGLCEWHB-OAHLLOKOSA-N -1 3 384.444 0.319 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H](O)COCC2CC2)cc1 ZINC000822904524 606291689 /nfs/dbraw/zinc/29/16/89/606291689.db2.gz ZVVILBVNIUINHL-AWEZNQCLSA-N -1 3 398.427 0.152 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H](O)COCC2CC2)cc1 ZINC000822904524 606291691 /nfs/dbraw/zinc/29/16/91/606291691.db2.gz ZVVILBVNIUINHL-AWEZNQCLSA-N -1 3 398.427 0.152 20 0 GCADHM CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820121634 606293911 /nfs/dbraw/zinc/29/39/11/606293911.db2.gz SRUFHLSHQNEZNY-LSDHHAIUSA-N -1 3 397.439 0.488 20 0 GCADHM CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820121632 606294231 /nfs/dbraw/zinc/29/42/31/606294231.db2.gz SRUFHLSHQNEZNY-GJZGRUSLSA-N -1 3 397.439 0.488 20 0 GCADHM CC(C)C(=O)N1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820011422 606297872 /nfs/dbraw/zinc/29/78/72/606297872.db2.gz MIWNKSRNTQNQFS-ZDUSSCGKSA-N -1 3 389.485 0.834 20 0 GCADHM CC(C)C(=O)N1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000820011422 606297873 /nfs/dbraw/zinc/29/78/73/606297873.db2.gz MIWNKSRNTQNQFS-ZDUSSCGKSA-N -1 3 389.485 0.834 20 0 GCADHM CCS(=O)(=O)N(C)CCCN[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821441009 606299647 /nfs/dbraw/zinc/29/96/47/606299647.db2.gz HCUDVLFMIKIOAG-AWEZNQCLSA-N -1 3 396.473 0.342 20 0 GCADHM CCS(=O)(=O)N(C)CCCN[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821441009 606299648 /nfs/dbraw/zinc/29/96/48/606299648.db2.gz HCUDVLFMIKIOAG-AWEZNQCLSA-N -1 3 396.473 0.342 20 0 GCADHM COC(=O)[C@H](N[C@@H](C)C(=O)NCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640551 606302840 /nfs/dbraw/zinc/30/28/40/606302840.db2.gz KSACYMLJJVNBRM-XHDPSFHLSA-N -1 3 384.396 0.968 20 0 GCADHM COC(=O)[C@H](N[C@@H](C)C(=O)NCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640551 606302841 /nfs/dbraw/zinc/30/28/41/606302841.db2.gz KSACYMLJJVNBRM-XHDPSFHLSA-N -1 3 384.396 0.968 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820607358 606307521 /nfs/dbraw/zinc/30/75/21/606307521.db2.gz RNYXGNRSQUGHHO-INIZCTEOSA-N -1 3 390.425 0.361 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820607358 606307523 /nfs/dbraw/zinc/30/75/23/606307523.db2.gz RNYXGNRSQUGHHO-INIZCTEOSA-N -1 3 390.425 0.361 20 0 GCADHM O=C1c2ccccc2C(=O)N1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823551305 606308318 /nfs/dbraw/zinc/30/83/18/606308318.db2.gz MDVPTXRLERCOGE-UHFFFAOYSA-N -1 3 383.389 0.937 20 0 GCADHM O=C1c2ccccc2C(=O)N1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823551305 606308319 /nfs/dbraw/zinc/30/83/19/606308319.db2.gz MDVPTXRLERCOGE-UHFFFAOYSA-N -1 3 383.389 0.937 20 0 GCADHM O=c1n(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nnn1-c1ccccc1 ZINC000823665575 606308465 /nfs/dbraw/zinc/30/84/65/606308465.db2.gz QPGPMXYQYSNSMR-UHFFFAOYSA-N -1 3 398.408 0.083 20 0 GCADHM O=c1n(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nnn1-c1ccccc1 ZINC000823665575 606308467 /nfs/dbraw/zinc/30/84/67/606308467.db2.gz QPGPMXYQYSNSMR-UHFFFAOYSA-N -1 3 398.408 0.083 20 0 GCADHM CN(CC(=O)NC(C)(C)C)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821592418 606313689 /nfs/dbraw/zinc/31/36/89/606313689.db2.gz FBOQFDKZZDVJSO-LLVKDONJSA-N -1 3 377.474 0.880 20 0 GCADHM CN(CC(=O)NC(C)(C)C)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821592418 606313691 /nfs/dbraw/zinc/31/36/91/606313691.db2.gz FBOQFDKZZDVJSO-LLVKDONJSA-N -1 3 377.474 0.880 20 0 GCADHM CC(=O)N[C@@H]1CCCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000819803157 606314747 /nfs/dbraw/zinc/31/47/47/606314747.db2.gz KHQRNNAJFMDOIX-YPMHNXCESA-N -1 3 375.458 0.634 20 0 GCADHM CC(=O)N[C@@H]1CCCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000819803157 606314748 /nfs/dbraw/zinc/31/47/48/606314748.db2.gz KHQRNNAJFMDOIX-YPMHNXCESA-N -1 3 375.458 0.634 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000821651501 606315461 /nfs/dbraw/zinc/31/54/61/606315461.db2.gz ALQMJHAXPIJCSN-INIZCTEOSA-N -1 3 399.455 0.914 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000821651501 606315463 /nfs/dbraw/zinc/31/54/63/606315463.db2.gz ALQMJHAXPIJCSN-INIZCTEOSA-N -1 3 399.455 0.914 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000821651602 606315688 /nfs/dbraw/zinc/31/56/88/606315688.db2.gz CEXNECUGOYJHIV-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000821651602 606315689 /nfs/dbraw/zinc/31/56/89/606315689.db2.gz CEXNECUGOYJHIV-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821664727 606316312 /nfs/dbraw/zinc/31/63/12/606316312.db2.gz GSJILHNVACDDKD-LLVKDONJSA-N -1 3 377.430 0.418 20 0 GCADHM COC(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821664727 606316314 /nfs/dbraw/zinc/31/63/14/606316314.db2.gz GSJILHNVACDDKD-LLVKDONJSA-N -1 3 377.430 0.418 20 0 GCADHM O=C(Cn1cc2ccccc2n1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823123407 606317321 /nfs/dbraw/zinc/31/73/21/606317321.db2.gz YGSYFLPCWCLMDV-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM O=C(Cn1cc2ccccc2n1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823123407 606317322 /nfs/dbraw/zinc/31/73/22/606317322.db2.gz YGSYFLPCWCLMDV-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM COCCCNC(=O)CN(C)[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821687611 606318471 /nfs/dbraw/zinc/31/84/71/606318471.db2.gz HIOKHEHIETZPJU-HNNXBMFYSA-N -1 3 376.417 0.165 20 0 GCADHM COCCCNC(=O)CN(C)[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821687611 606318472 /nfs/dbraw/zinc/31/84/72/606318472.db2.gz HIOKHEHIETZPJU-HNNXBMFYSA-N -1 3 376.417 0.165 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000821651922 606320894 /nfs/dbraw/zinc/32/08/94/606320894.db2.gz JCRWBMYWVCOBMH-HOTGVXAUSA-N -1 3 383.412 0.678 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000821651922 606320895 /nfs/dbraw/zinc/32/08/95/606320895.db2.gz JCRWBMYWVCOBMH-HOTGVXAUSA-N -1 3 383.412 0.678 20 0 GCADHM O=C1[C@H](N2CCC[C@@H](OCCO)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503343 606323751 /nfs/dbraw/zinc/32/37/51/606323751.db2.gz DBFRLIQTGHBNRZ-DGCLKSJQSA-N -1 3 378.458 0.507 20 0 GCADHM O=C1[C@H](N2CCC[C@@H](OCCO)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503343 606323753 /nfs/dbraw/zinc/32/37/53/606323753.db2.gz DBFRLIQTGHBNRZ-DGCLKSJQSA-N -1 3 378.458 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382.380 0.664 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CO)c1ccccc1 ZINC000821757088 606609762 /nfs/dbraw/zinc/60/97/62/606609762.db2.gz UXILWCYQNRRLHV-CQSZACIVSA-N -1 3 382.380 0.664 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821508872 606609826 /nfs/dbraw/zinc/60/98/26/606609826.db2.gz BYNWBTMNIYEAKX-GFCCVEGCSA-N -1 3 381.400 0.090 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821508872 606609828 /nfs/dbraw/zinc/60/98/28/606609828.db2.gz BYNWBTMNIYEAKX-GFCCVEGCSA-N -1 3 381.400 0.090 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCN1C[C@H](C)O ZINC000820989691 606609989 /nfs/dbraw/zinc/60/99/89/606609989.db2.gz YWODHZBWHMVRAQ-WFASDCNBSA-N -1 3 387.444 0.109 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000822314979 606610340 /nfs/dbraw/zinc/61/03/40/606610340.db2.gz XLQWLLRUCXHPHZ-CHWSQXEVSA-N -1 3 387.444 0.027 20 0 GCADHM 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606610695 /nfs/dbraw/zinc/61/06/95/606610695.db2.gz AIQRJOGBBVXORK-UHFFFAOYSA-N -1 3 394.457 0.684 20 0 GCADHM COC(=O)CCC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000821659966 606610696 /nfs/dbraw/zinc/61/06/96/606610696.db2.gz AIQRJOGBBVXORK-UHFFFAOYSA-N -1 3 394.457 0.684 20 0 GCADHM C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820280688 606610790 /nfs/dbraw/zinc/61/07/90/606610790.db2.gz MIPSCZIQTCBIFN-YUMQZZPRSA-N -1 3 384.343 0.540 20 0 GCADHM C[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820280688 606610792 /nfs/dbraw/zinc/61/07/92/606610792.db2.gz MIPSCZIQTCBIFN-YUMQZZPRSA-N -1 3 384.343 0.540 20 0 GCADHM CC(C)[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC1 ZINC000820183980 606610879 /nfs/dbraw/zinc/61/08/79/606610879.db2.gz QMTCZSXIVGUTRN-AWEZNQCLSA-N -1 3 385.428 0.568 20 0 GCADHM CC(C)[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC1 ZINC000820183980 606610881 /nfs/dbraw/zinc/61/08/81/606610881.db2.gz QMTCZSXIVGUTRN-AWEZNQCLSA-N -1 3 385.428 0.568 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO ZINC000820152416 606610910 /nfs/dbraw/zinc/61/09/10/606610910.db2.gz XNCUEJRKSYGPJG-QWRGUYRKSA-N -1 3 376.417 0.726 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)CO ZINC000820152416 606610912 /nfs/dbraw/zinc/61/09/12/606610912.db2.gz XNCUEJRKSYGPJG-QWRGUYRKSA-N -1 3 376.417 0.726 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)CO ZINC000820152417 606611213 /nfs/dbraw/zinc/61/12/13/606611213.db2.gz XNCUEJRKSYGPJG-WDEREUQCSA-N -1 3 376.417 0.726 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)CO ZINC000820152417 606611214 /nfs/dbraw/zinc/61/12/14/606611214.db2.gz XNCUEJRKSYGPJG-WDEREUQCSA-N -1 3 376.417 0.726 20 0 GCADHM CC[C@@H](CCO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820903270 606611791 /nfs/dbraw/zinc/61/17/91/606611791.db2.gz SARVTCAKMBSSJG-VIFPVBQESA-N -1 3 384.343 0.684 20 0 GCADHM CC[C@@H](CCO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820903270 606611792 /nfs/dbraw/zinc/61/17/92/606611792.db2.gz SARVTCAKMBSSJG-VIFPVBQESA-N -1 3 384.343 0.684 20 0 GCADHM CCOCCNC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821378189 606612512 /nfs/dbraw/zinc/61/25/12/606612512.db2.gz KYRDUEHOXSBZRN-UHFFFAOYSA-N -1 3 377.424 0.281 20 0 GCADHM CCOCCNC(=O)CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821378341 606612525 /nfs/dbraw/zinc/61/25/25/606612525.db2.gz LZJIZQNWUNCUBV-UHFFFAOYSA-N -1 3 377.424 0.281 20 0 GCADHM CCOCCNC(=O)CN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821378341 606612526 /nfs/dbraw/zinc/61/25/26/606612526.db2.gz LZJIZQNWUNCUBV-UHFFFAOYSA-N -1 3 377.424 0.281 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)[C@H](CO)SC ZINC000821757503 606612803 /nfs/dbraw/zinc/61/28/03/606612803.db2.gz YGMQQUCLWOFOBY-PELKAZGASA-N -1 3 380.430 0.042 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)[C@H](CO)SC ZINC000821757503 606612804 /nfs/dbraw/zinc/61/28/04/606612804.db2.gz YGMQQUCLWOFOBY-PELKAZGASA-N -1 3 380.430 0.042 20 0 GCADHM CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821951200 606613397 /nfs/dbraw/zinc/61/33/97/606613397.db2.gz VSMIQJJKDYQGRE-RDDDGLTNSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821951200 606613398 /nfs/dbraw/zinc/61/33/98/606613398.db2.gz VSMIQJJKDYQGRE-RDDDGLTNSA-N -1 3 384.849 0.687 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000822216725 606613584 /nfs/dbraw/zinc/61/35/84/606613584.db2.gz YANNSTPVBVJYEV-MPKXVKKWSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000822216725 606613586 /nfs/dbraw/zinc/61/35/86/606613586.db2.gz YANNSTPVBVJYEV-MPKXVKKWSA-N -1 3 383.412 0.239 20 0 GCADHM CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821950555 606613606 /nfs/dbraw/zinc/61/36/06/606613606.db2.gz OQOMJFXOODDMNT-RDDDGLTNSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821950555 606613608 /nfs/dbraw/zinc/61/36/08/606613608.db2.gz OQOMJFXOODDMNT-RDDDGLTNSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821951199 606613612 /nfs/dbraw/zinc/61/36/12/606613612.db2.gz VSMIQJJKDYQGRE-HQJQHLMTSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821951199 606613614 /nfs/dbraw/zinc/61/36/14/606613614.db2.gz VSMIQJJKDYQGRE-HQJQHLMTSA-N -1 3 384.849 0.687 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000823333120 606614018 /nfs/dbraw/zinc/61/40/18/606614018.db2.gz XUTKHUDNOMGOIP-CYBMUJFWSA-N -1 3 388.281 0.470 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000823333120 606614019 /nfs/dbraw/zinc/61/40/19/606614019.db2.gz XUTKHUDNOMGOIP-CYBMUJFWSA-N -1 3 388.281 0.470 20 0 GCADHM CNC(=O)N1CCN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000821634079 606614370 /nfs/dbraw/zinc/61/43/70/606614370.db2.gz QWQPRTPHKUSIPM-UHFFFAOYSA-N -1 3 378.462 0.441 20 0 GCADHM CNC(=O)N1CCN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000821634079 606614371 /nfs/dbraw/zinc/61/43/71/606614371.db2.gz QWQPRTPHKUSIPM-UHFFFAOYSA-N -1 3 378.462 0.441 20 0 GCADHM CN(C[C@H]1CCOC1)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821598335 606614672 /nfs/dbraw/zinc/61/46/72/606614672.db2.gz YZFQQFGIXBAWLC-SECBINFHSA-N -1 3 396.354 0.902 20 0 GCADHM CN(C[C@H]1CCOC1)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821598335 606614674 /nfs/dbraw/zinc/61/46/74/606614674.db2.gz YZFQQFGIXBAWLC-SECBINFHSA-N -1 3 396.354 0.902 20 0 GCADHM CO[C@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1(C)C ZINC000821678841 606614977 /nfs/dbraw/zinc/61/49/77/606614977.db2.gz SWBULWLNXMBCLD-KBPBESRZSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@H]1C[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1(C)C ZINC000821678841 606614978 /nfs/dbraw/zinc/61/49/78/606614978.db2.gz SWBULWLNXMBCLD-KBPBESRZSA-N -1 3 386.460 0.907 20 0 GCADHM O=C(NC[C@@H](CO)c1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823162436 606615085 /nfs/dbraw/zinc/61/50/85/606615085.db2.gz WEPHNZBYWCZGQN-LBPRGKRZSA-N -1 3 384.371 0.837 20 0 GCADHM O=C(NC[C@@H](CO)c1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823162436 606615086 /nfs/dbraw/zinc/61/50/86/606615086.db2.gz WEPHNZBYWCZGQN-LBPRGKRZSA-N -1 3 384.371 0.837 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000821755267 606615091 /nfs/dbraw/zinc/61/50/91/606615091.db2.gz CYUXQWMPJPLUCJ-DOMZBBRYSA-N -1 3 388.428 0.991 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCO[C@H]1C(C)C ZINC000821755267 606615092 /nfs/dbraw/zinc/61/50/92/606615092.db2.gz CYUXQWMPJPLUCJ-DOMZBBRYSA-N -1 3 388.428 0.991 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](CO)c1ccccc1 ZINC000821756977 606615191 /nfs/dbraw/zinc/61/51/91/606615191.db2.gz SJKCAPVXRKTCMV-CQSZACIVSA-N -1 3 396.407 0.706 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](CO)c1ccccc1 ZINC000821756977 606615193 /nfs/dbraw/zinc/61/51/93/606615193.db2.gz SJKCAPVXRKTCMV-CQSZACIVSA-N -1 3 396.407 0.706 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000822312355 606615312 /nfs/dbraw/zinc/61/53/12/606615312.db2.gz FBXPFUYLVXGVDH-NSHDSACASA-N -1 3 385.428 0.629 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000822312355 606615313 /nfs/dbraw/zinc/61/53/13/606615313.db2.gz FBXPFUYLVXGVDH-NSHDSACASA-N -1 3 385.428 0.629 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000822215961 606615346 /nfs/dbraw/zinc/61/53/46/606615346.db2.gz AJNBWKGVODEHFE-GFCCVEGCSA-N -1 3 385.428 0.629 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000822215961 606615348 /nfs/dbraw/zinc/61/53/48/606615348.db2.gz AJNBWKGVODEHFE-GFCCVEGCSA-N -1 3 385.428 0.629 20 0 GCADHM CCOC(=O)C1(O)CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000821321414 606616726 /nfs/dbraw/zinc/61/67/26/606616726.db2.gz WPICJRFVDOXWNS-UHFFFAOYSA-N -1 3 394.457 0.647 20 0 GCADHM CC1CC(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000820649201 606617252 /nfs/dbraw/zinc/61/72/52/606617252.db2.gz JVSYGOAMPPWRLE-UHFFFAOYSA-N -1 3 390.469 0.746 20 0 GCADHM CC1CC(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000820649201 606617254 /nfs/dbraw/zinc/61/72/54/606617254.db2.gz JVSYGOAMPPWRLE-UHFFFAOYSA-N -1 3 390.469 0.746 20 0 GCADHM Cc1cnc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000822394558 606622244 /nfs/dbraw/zinc/62/22/44/606622244.db2.gz CXSUATSLUBLUFU-CQSZACIVSA-N -1 3 384.469 0.980 20 0 GCADHM Cc1cnc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000822394558 606622245 /nfs/dbraw/zinc/62/22/45/606622245.db2.gz CXSUATSLUBLUFU-CQSZACIVSA-N -1 3 384.469 0.980 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000821636334 606623405 /nfs/dbraw/zinc/62/34/05/606623405.db2.gz NZNVNNNEGCZZST-LLVKDONJSA-N -1 3 397.461 0.029 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823092803 606623440 /nfs/dbraw/zinc/62/34/40/606623440.db2.gz LNRVIUORRVIQDD-LSDHHAIUSA-N -1 3 375.454 0.977 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823092803 606623442 /nfs/dbraw/zinc/62/34/42/606623442.db2.gz LNRVIUORRVIQDD-LSDHHAIUSA-N -1 3 375.454 0.977 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823049905 606623990 /nfs/dbraw/zinc/62/39/90/606623990.db2.gz MCCISFYGPODEFQ-HIFRSBDPSA-N -1 3 391.453 0.814 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823049905 606623991 /nfs/dbraw/zinc/62/39/91/606623991.db2.gz MCCISFYGPODEFQ-HIFRSBDPSA-N -1 3 391.453 0.814 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000823078748 606626236 /nfs/dbraw/zinc/62/62/36/606626236.db2.gz RRGXAGIEAQSKKC-UHFFFAOYSA-N -1 3 390.469 0.482 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000823078748 606626238 /nfs/dbraw/zinc/62/62/38/606626238.db2.gz RRGXAGIEAQSKKC-UHFFFAOYSA-N -1 3 390.469 0.482 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823001243 606632104 /nfs/dbraw/zinc/63/21/04/606632104.db2.gz IUISHRWRWZZTPV-GJZGRUSLSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823001243 606632106 /nfs/dbraw/zinc/63/21/06/606632106.db2.gz IUISHRWRWZZTPV-GJZGRUSLSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)Nc1sccc1-c1nnn[n-]1 ZINC000823000657 606632127 /nfs/dbraw/zinc/63/21/27/606632127.db2.gz CCNTWBBNWWCZNL-VXGBXAGGSA-N -1 3 396.498 0.908 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)Nc1sccc1-c1nn[n-]n1 ZINC000823000657 606632129 /nfs/dbraw/zinc/63/21/29/606632129.db2.gz CCNTWBBNWWCZNL-VXGBXAGGSA-N -1 3 396.498 0.908 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823001244 606632493 /nfs/dbraw/zinc/63/24/93/606632493.db2.gz IUISHRWRWZZTPV-HUUCEWRRSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823001244 606632494 /nfs/dbraw/zinc/63/24/94/606632494.db2.gz IUISHRWRWZZTPV-HUUCEWRRSA-N -1 3 390.469 0.847 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCO[C@H](c3ccco3)C2)c(-c2nnn[n-]2)c1 ZINC000822895133 606633623 /nfs/dbraw/zinc/63/36/23/606633623.db2.gz LAQLILAPZIAJFY-AWEZNQCLSA-N -1 3 376.398 0.685 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCO[C@H](c3ccco3)C2)c(-c2nn[n-]n2)c1 ZINC000822895133 606633624 /nfs/dbraw/zinc/63/36/24/606633624.db2.gz LAQLILAPZIAJFY-AWEZNQCLSA-N -1 3 376.398 0.685 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820288972 606634748 /nfs/dbraw/zinc/63/47/48/606634748.db2.gz ZMHAYUHWNZHDBX-NXEZZACHSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820288972 606634749 /nfs/dbraw/zinc/63/47/49/606634749.db2.gz ZMHAYUHWNZHDBX-NXEZZACHSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820286545 606635634 /nfs/dbraw/zinc/63/56/34/606635634.db2.gz CDKOKHWENQEKTQ-ONGXEEELSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820286545 606635635 /nfs/dbraw/zinc/63/56/35/606635635.db2.gz CDKOKHWENQEKTQ-ONGXEEELSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820286253 606635716 /nfs/dbraw/zinc/63/57/16/606635716.db2.gz ACHLLKGKJUHGOC-GXSJLCMTSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820286253 606635717 /nfs/dbraw/zinc/63/57/17/606635717.db2.gz ACHLLKGKJUHGOC-GXSJLCMTSA-N -1 3 378.364 0.255 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820286544 606635877 /nfs/dbraw/zinc/63/58/77/606635877.db2.gz CDKOKHWENQEKTQ-MWLCHTKSSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820286544 606635878 /nfs/dbraw/zinc/63/58/78/606635878.db2.gz CDKOKHWENQEKTQ-MWLCHTKSSA-N -1 3 394.819 0.769 20 0 GCADHM Cn1cnnc1CNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000822703803 606638995 /nfs/dbraw/zinc/63/89/95/606638995.db2.gz FHCYCYGAVZPPOT-UHFFFAOYSA-N -1 3 399.234 0.236 20 0 GCADHM Cn1cnnc1CNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000822703803 606638996 /nfs/dbraw/zinc/63/89/96/606638996.db2.gz FHCYCYGAVZPPOT-UHFFFAOYSA-N -1 3 399.234 0.236 20 0 GCADHM Cn1cc(CNS(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)cn1 ZINC000822680471 606639618 /nfs/dbraw/zinc/63/96/18/606639618.db2.gz OVFWLEKDKOTCBR-UHFFFAOYSA-N -1 3 398.246 0.841 20 0 GCADHM Cn1cc(CNS(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)cn1 ZINC000822680471 606639619 /nfs/dbraw/zinc/63/96/19/606639619.db2.gz OVFWLEKDKOTCBR-UHFFFAOYSA-N -1 3 398.246 0.841 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000822439406 606641203 /nfs/dbraw/zinc/64/12/03/606641203.db2.gz AVBSUCVFKUNVJT-OAHLLOKOSA-N -1 3 397.443 0.974 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000822439406 606641204 /nfs/dbraw/zinc/64/12/04/606641204.db2.gz AVBSUCVFKUNVJT-OAHLLOKOSA-N -1 3 397.443 0.974 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NC1(CC(N)=O)CCC1 ZINC000821701593 606641795 /nfs/dbraw/zinc/64/17/95/606641795.db2.gz VBNPFRDFSIDANI-UHFFFAOYSA-N -1 3 388.428 0.949 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NC1(CC(N)=O)CCC1 ZINC000821701593 606641796 /nfs/dbraw/zinc/64/17/96/606641796.db2.gz VBNPFRDFSIDANI-UHFFFAOYSA-N -1 3 388.428 0.949 20 0 GCADHM CN1CCO[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)C1 ZINC000821628210 606641865 /nfs/dbraw/zinc/64/18/65/606641865.db2.gz CGFQPUANUZLJAN-MRXNPFEDSA-N -1 3 387.444 0.097 20 0 GCADHM CN1CCO[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)C1 ZINC000821628210 606641866 /nfs/dbraw/zinc/64/18/66/606641866.db2.gz CGFQPUANUZLJAN-MRXNPFEDSA-N -1 3 387.444 0.097 20 0 GCADHM Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000822457973 606642136 /nfs/dbraw/zinc/64/21/36/606642136.db2.gz BEAAHECDSPAOIC-UHFFFAOYSA-N -1 3 382.388 0.523 20 0 GCADHM COc1coc(CN2C(=O)N[C@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1=O ZINC000821910835 606642796 /nfs/dbraw/zinc/64/27/96/606642796.db2.gz HZCTWXAPIDOJJW-GOSISDBHSA-N -1 3 396.363 0.796 20 0 GCADHM COc1coc(CN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1=O ZINC000821910835 606642797 /nfs/dbraw/zinc/64/27/97/606642797.db2.gz HZCTWXAPIDOJJW-GOSISDBHSA-N -1 3 396.363 0.796 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCC[C@H](O)c1ccccc1 ZINC000823005139 606658508 /nfs/dbraw/zinc/65/85/08/606658508.db2.gz DEDULXGHXBPBBO-INIZCTEOSA-N -1 3 380.408 0.836 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCC[C@H](O)c1ccccc1 ZINC000823005139 606658509 /nfs/dbraw/zinc/65/85/09/606658509.db2.gz DEDULXGHXBPBBO-INIZCTEOSA-N -1 3 380.408 0.836 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1ccc(CC(=O)NCCO)cc1 ZINC000823083118 606659156 /nfs/dbraw/zinc/65/91/56/606659156.db2.gz XESKKJTUQYIIGU-UHFFFAOYSA-N -1 3 396.407 0.535 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1ccc(CC(=O)NCCO)cc1 ZINC000823083118 606659157 /nfs/dbraw/zinc/65/91/57/606659157.db2.gz XESKKJTUQYIIGU-UHFFFAOYSA-N -1 3 396.407 0.535 20 0 GCADHM CNC(=O)CN1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000821632960 606659663 /nfs/dbraw/zinc/65/96/63/606659663.db2.gz QOVFRCOVLBEDIN-UHFFFAOYSA-N -1 3 378.824 0.416 20 0 GCADHM CNC(=O)CN1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000821632960 606659664 /nfs/dbraw/zinc/65/96/64/606659664.db2.gz QOVFRCOVLBEDIN-UHFFFAOYSA-N -1 3 378.824 0.416 20 0 GCADHM COC(=O)[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C[C@@H]1C ZINC000821655001 606661252 /nfs/dbraw/zinc/66/12/52/606661252.db2.gz CCMBMQTYVNYPJA-ZLKJLUDKSA-N -1 3 384.396 0.240 20 0 GCADHM COC(=O)CCCS(=O)(=O)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000821661296 606662046 /nfs/dbraw/zinc/66/20/46/606662046.db2.gz BHYCBIWDLSEPAN-UHFFFAOYSA-N -1 3 384.414 0.622 20 0 GCADHM COC(=O)CCCS(=O)(=O)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000821661296 606662047 /nfs/dbraw/zinc/66/20/47/606662047.db2.gz BHYCBIWDLSEPAN-UHFFFAOYSA-N -1 3 384.414 0.622 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822669850 606663028 /nfs/dbraw/zinc/66/30/28/606663028.db2.gz SELQOKTTYSDLPR-UHFFFAOYSA-N -1 3 385.453 0.967 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822669850 606663029 /nfs/dbraw/zinc/66/30/29/606663029.db2.gz SELQOKTTYSDLPR-UHFFFAOYSA-N -1 3 385.453 0.967 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000821509678 606677638 /nfs/dbraw/zinc/67/76/38/606677638.db2.gz LBZWSCUJGAYTRV-GFCCVEGCSA-N -1 3 397.447 0.662 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000821509678 606677639 /nfs/dbraw/zinc/67/76/39/606677639.db2.gz LBZWSCUJGAYTRV-GFCCVEGCSA-N -1 3 397.447 0.662 20 0 GCADHM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000820292752 606678199 /nfs/dbraw/zinc/67/81/99/606678199.db2.gz GKBLZKURMULEDJ-JTQLQIEISA-N -1 3 390.400 0.871 20 0 GCADHM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000820292752 606678200 /nfs/dbraw/zinc/67/82/00/606678200.db2.gz GKBLZKURMULEDJ-JTQLQIEISA-N -1 3 390.400 0.871 20 0 GCADHM NS(=O)(=O)CC1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000822895384 606679272 /nfs/dbraw/zinc/67/92/72/606679272.db2.gz QEQGSCZMNFHZTH-UHFFFAOYSA-N -1 3 386.384 0.286 20 0 GCADHM NS(=O)(=O)CC1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000822895384 606679273 /nfs/dbraw/zinc/67/92/73/606679273.db2.gz QEQGSCZMNFHZTH-UHFFFAOYSA-N -1 3 386.384 0.286 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000822699388 606681779 /nfs/dbraw/zinc/68/17/79/606681779.db2.gz ZCMASVDXAVUHGA-UHFFFAOYSA-N -1 3 388.382 0.836 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000822699388 606681780 /nfs/dbraw/zinc/68/17/80/606681780.db2.gz ZCMASVDXAVUHGA-UHFFFAOYSA-N -1 3 388.382 0.836 20 0 GCADHM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823150283 606685298 /nfs/dbraw/zinc/68/52/98/606685298.db2.gz NOSYQKQPAWGMSN-ZDUSSCGKSA-N -1 3 392.366 0.655 20 0 GCADHM O=C(N[C@H]1CCN(C2CCOCC2)C1=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823150283 606685299 /nfs/dbraw/zinc/68/52/99/606685299.db2.gz NOSYQKQPAWGMSN-ZDUSSCGKSA-N -1 3 392.366 0.655 20 0 GCADHM C[S@@](=O)CCN1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821943092 606686752 /nfs/dbraw/zinc/68/67/52/606686752.db2.gz SWDJSBZVOUIWBC-AREMUKBSSA-N -1 3 384.412 0.281 20 0 GCADHM C[S@@](=O)CCN1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821943092 606686753 /nfs/dbraw/zinc/68/67/53/606686753.db2.gz SWDJSBZVOUIWBC-AREMUKBSSA-N -1 3 384.412 0.281 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823453802 606686943 /nfs/dbraw/zinc/68/69/43/606686943.db2.gz ABHDKIDRJLSBEV-NSHDSACASA-N -1 3 378.383 0.939 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823453802 606686944 /nfs/dbraw/zinc/68/69/44/606686944.db2.gz ABHDKIDRJLSBEV-NSHDSACASA-N -1 3 378.383 0.939 20 0 GCADHM C[C@H]1CN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@H]1N1CCOCC1 ZINC000820741678 606687118 /nfs/dbraw/zinc/68/71/18/606687118.db2.gz FDTKQNBZRKYEJF-IINYFYTJSA-N -1 3 378.383 0.938 20 0 GCADHM C[C@H]1CN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@H]1N1CCOCC1 ZINC000820741678 606687119 /nfs/dbraw/zinc/68/71/19/606687119.db2.gz FDTKQNBZRKYEJF-IINYFYTJSA-N -1 3 378.383 0.938 20 0 GCADHM O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823541325 606687850 /nfs/dbraw/zinc/68/78/50/606687850.db2.gz PCULKQLPQNHYTN-VPTHRUTESA-N -1 3 391.338 0.253 20 0 GCADHM O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823541325 606687851 /nfs/dbraw/zinc/68/78/51/606687851.db2.gz PCULKQLPQNHYTN-VPTHRUTESA-N -1 3 391.338 0.253 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N2C[C@H](O)C[C@H](O)C2)c1-c1nnn[n-]1 ZINC000821989354 606688315 /nfs/dbraw/zinc/68/83/15/606688315.db2.gz KBDIRJBMNKBBAY-AOOOYVTPSA-N -1 3 376.442 0.429 20 0 GCADHM COC(=O)C[C@@H](C)N1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821656947 606688462 /nfs/dbraw/zinc/68/84/62/606688462.db2.gz CYDINVZNYZBHFX-SNVBAGLBSA-N -1 3 394.382 0.854 20 0 GCADHM COC(=O)C[C@@H](C)N1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821656947 606688463 /nfs/dbraw/zinc/68/84/63/606688463.db2.gz CYDINVZNYZBHFX-SNVBAGLBSA-N -1 3 394.382 0.854 20 0 GCADHM CCn1nc2c(cc1=O)CN(C(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CC2 ZINC000821568316 606689098 /nfs/dbraw/zinc/68/90/98/606689098.db2.gz PRYFVXIEVZBOON-UHFFFAOYSA-N -1 3 387.350 0.920 20 0 GCADHM CCn1nc2c(cc1=O)CN(C(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000821568316 606689099 /nfs/dbraw/zinc/68/90/99/606689099.db2.gz PRYFVXIEVZBOON-UHFFFAOYSA-N -1 3 387.350 0.920 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000819857790 606691536 /nfs/dbraw/zinc/69/15/36/606691536.db2.gz VHDQENGIHSALTJ-GFCCVEGCSA-N -1 3 389.485 0.697 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000819857790 606691537 /nfs/dbraw/zinc/69/15/37/606691537.db2.gz VHDQENGIHSALTJ-GFCCVEGCSA-N -1 3 389.485 0.697 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000819857793 606691559 /nfs/dbraw/zinc/69/15/59/606691559.db2.gz VHDQENGIHSALTJ-LBPRGKRZSA-N -1 3 389.485 0.697 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000819857793 606691560 /nfs/dbraw/zinc/69/15/60/606691560.db2.gz VHDQENGIHSALTJ-LBPRGKRZSA-N -1 3 389.485 0.697 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C[C@H]1C ZINC000821656157 606694216 /nfs/dbraw/zinc/69/42/16/606694216.db2.gz YSEWELACVLKTMV-QMTHXVAHSA-N -1 3 396.411 0.516 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C[C@H]1C ZINC000821656157 606694217 /nfs/dbraw/zinc/69/42/17/606694217.db2.gz YSEWELACVLKTMV-QMTHXVAHSA-N -1 3 396.411 0.516 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821334513 606707263 /nfs/dbraw/zinc/70/72/63/606707263.db2.gz MMQWPHKDSWWGAR-UHFFFAOYSA-N -1 3 399.408 0.437 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821334513 606707264 /nfs/dbraw/zinc/70/72/64/606707264.db2.gz MMQWPHKDSWWGAR-UHFFFAOYSA-N -1 3 399.408 0.437 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(CC[S@](C)=O)CC1 ZINC000821652144 606707282 /nfs/dbraw/zinc/70/72/82/606707282.db2.gz MVDOPOSUWFICKU-QZXCRCNTSA-N -1 3 392.485 0.077 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(CC[S@](C)=O)CC1 ZINC000821652144 606707284 /nfs/dbraw/zinc/70/72/84/606707284.db2.gz MVDOPOSUWFICKU-QZXCRCNTSA-N -1 3 392.485 0.077 20 0 GCADHM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nnn[n-]3)C[C@H]21 ZINC000821628989 606737691 /nfs/dbraw/zinc/73/76/91/606737691.db2.gz WANMMJVFTPZIMO-NEPJUHHUSA-N -1 3 384.849 0.224 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000822143670 606738464 /nfs/dbraw/zinc/73/84/64/606738464.db2.gz FTTDBHMMUQCBNN-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000822143670 606738466 /nfs/dbraw/zinc/73/84/66/606738466.db2.gz FTTDBHMMUQCBNN-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000819928873 606738904 /nfs/dbraw/zinc/73/89/04/606738904.db2.gz ZHOHRMSGRMJISR-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000819928873 606738906 /nfs/dbraw/zinc/73/89/06/606738906.db2.gz ZHOHRMSGRMJISR-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM CS(=O)(=O)CCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821926886 606739669 /nfs/dbraw/zinc/73/96/69/606739669.db2.gz NZDPXAQWYFQYCR-UHFFFAOYSA-N -1 3 386.821 0.010 20 0 GCADHM CS(=O)(=O)CCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821926886 606739671 /nfs/dbraw/zinc/73/96/71/606739671.db2.gz NZDPXAQWYFQYCR-UHFFFAOYSA-N -1 3 386.821 0.010 20 0 GCADHM Cc1noc(CCCNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)n1 ZINC000822528163 606740091 /nfs/dbraw/zinc/74/00/91/606740091.db2.gz VPYGKMFCVVXCCV-UHFFFAOYSA-N -1 3 390.791 0.899 20 0 GCADHM Cc1noc(CCCNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)n1 ZINC000822528163 606740093 /nfs/dbraw/zinc/74/00/93/606740093.db2.gz VPYGKMFCVVXCCV-UHFFFAOYSA-N -1 3 390.791 0.899 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@H]1CCc2nccn2C1 ZINC000823289406 606740344 /nfs/dbraw/zinc/74/03/44/606740344.db2.gz IMNZDSXWTPTDJH-JTQLQIEISA-N -1 3 386.803 0.786 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@H]1CCc2nccn2C1 ZINC000823289406 606740346 /nfs/dbraw/zinc/74/03/46/606740346.db2.gz IMNZDSXWTPTDJH-JTQLQIEISA-N -1 3 386.803 0.786 20 0 GCADHM CSC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821956606 606741369 /nfs/dbraw/zinc/74/13/69/606741369.db2.gz SKRCZGSMMUDAHY-AWEZNQCLSA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821956606 606741370 /nfs/dbraw/zinc/74/13/70/606741370.db2.gz SKRCZGSMMUDAHY-AWEZNQCLSA-N -1 3 384.849 0.689 20 0 GCADHM CN1C[C@@H](NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CCC1=O ZINC000821620880 606741644 /nfs/dbraw/zinc/74/16/44/606741644.db2.gz YTDSHDZMDMNGJF-VIFPVBQESA-N -1 3 377.792 0.196 20 0 GCADHM CN1C[C@@H](NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CCC1=O ZINC000821620880 606741645 /nfs/dbraw/zinc/74/16/45/606741645.db2.gz YTDSHDZMDMNGJF-VIFPVBQESA-N -1 3 377.792 0.196 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000821656223 606743598 /nfs/dbraw/zinc/74/35/98/606743598.db2.gz ZZIGKVVBTXLHRC-UHFFFAOYSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000821656223 606743600 /nfs/dbraw/zinc/74/36/00/606743600.db2.gz ZZIGKVVBTXLHRC-UHFFFAOYSA-N -1 3 392.803 0.870 20 0 GCADHM CC[C@@H](CCO)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820901330 606743827 /nfs/dbraw/zinc/74/38/27/606743827.db2.gz BFAYNQNGCIVSOD-VIFPVBQESA-N -1 3 398.370 0.931 20 0 GCADHM CC[C@@H](CCO)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820901330 606743828 /nfs/dbraw/zinc/74/38/28/606743828.db2.gz BFAYNQNGCIVSOD-VIFPVBQESA-N -1 3 398.370 0.931 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000823290273 606744162 /nfs/dbraw/zinc/74/41/62/606744162.db2.gz VOMSIXOOOZIKQI-SNVBAGLBSA-N -1 3 387.791 0.701 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000823290273 606744164 /nfs/dbraw/zinc/74/41/64/606744164.db2.gz VOMSIXOOOZIKQI-SNVBAGLBSA-N -1 3 387.791 0.701 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](CC)CCO ZINC000821400433 606744793 /nfs/dbraw/zinc/74/47/93/606744793.db2.gz JQCYGIGKDNWSCL-LLVKDONJSA-N -1 3 376.417 0.729 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](CC)CCO ZINC000821400433 606744795 /nfs/dbraw/zinc/74/47/95/606744795.db2.gz JQCYGIGKDNWSCL-LLVKDONJSA-N -1 3 376.417 0.729 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C[C@@H]1C ZINC000821657291 606745535 /nfs/dbraw/zinc/74/55/35/606745535.db2.gz LKDSOUFKNZVQBM-GZMMTYOYSA-N -1 3 385.833 0.950 20 0 GCADHM CS(=O)(=O)C1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821920856 606745636 /nfs/dbraw/zinc/74/56/36/606745636.db2.gz ZYZDYVNKBUTKMX-UHFFFAOYSA-N -1 3 394.457 0.464 20 0 GCADHM CC[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000820979920 606745696 /nfs/dbraw/zinc/74/56/96/606745696.db2.gz KDMZWQTVXKIKIO-LBPRGKRZSA-N -1 3 395.427 0.704 20 0 GCADHM CC[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000820979920 606745698 /nfs/dbraw/zinc/74/56/98/606745698.db2.gz KDMZWQTVXKIKIO-LBPRGKRZSA-N -1 3 395.427 0.704 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCOC1 ZINC000821654197 606746531 /nfs/dbraw/zinc/74/65/31/606746531.db2.gz WXFAIORWFZMSBM-CYBMUJFWSA-N -1 3 387.805 0.131 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCOC1 ZINC000821654197 606746533 /nfs/dbraw/zinc/74/65/33/606746533.db2.gz WXFAIORWFZMSBM-CYBMUJFWSA-N -1 3 387.805 0.131 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820859246 606750771 /nfs/dbraw/zinc/75/07/71/606750771.db2.gz CKDJCGUSVKIZEM-JTQLQIEISA-N -1 3 381.414 0.303 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820859246 606750773 /nfs/dbraw/zinc/75/07/73/606750773.db2.gz CKDJCGUSVKIZEM-JTQLQIEISA-N -1 3 381.414 0.303 20 0 GCADHM CN1CCO[C@@H]2CN(C(=O)CCCCOc3cccc(-c4nnn[n-]4)c3)C[C@@H]21 ZINC000821628472 606751782 /nfs/dbraw/zinc/75/17/82/606751782.db2.gz JJZKSMBOHGVPBY-DLBZAZTESA-N -1 3 386.456 0.957 20 0 GCADHM CN1CCO[C@@H]2CN(C(=O)CCCCOc3cccc(-c4nn[n-]n4)c3)C[C@@H]21 ZINC000821628472 606751784 /nfs/dbraw/zinc/75/17/84/606751784.db2.gz JJZKSMBOHGVPBY-DLBZAZTESA-N -1 3 386.456 0.957 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)CCCCOc3cccc(-c4nnn[n-]4)c3)C[C@H]21 ZINC000821628475 606751982 /nfs/dbraw/zinc/75/19/82/606751982.db2.gz JJZKSMBOHGVPBY-SJORKVTESA-N -1 3 386.456 0.957 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)CCCCOc3cccc(-c4nn[n-]n4)c3)C[C@H]21 ZINC000821628475 606751984 /nfs/dbraw/zinc/75/19/84/606751984.db2.gz JJZKSMBOHGVPBY-SJORKVTESA-N -1 3 386.456 0.957 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000820519753 606753948 /nfs/dbraw/zinc/75/39/48/606753948.db2.gz WNFJLEHWMZKLID-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2=O)cn1 ZINC000822680338 606757333 /nfs/dbraw/zinc/75/73/33/606757333.db2.gz LWJHTNCKFMKDHZ-LBPRGKRZSA-N -1 3 389.322 0.841 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2=O)cn1 ZINC000822680338 606757334 /nfs/dbraw/zinc/75/73/34/606757334.db2.gz LWJHTNCKFMKDHZ-LBPRGKRZSA-N -1 3 389.322 0.841 20 0 GCADHM Cn1cc([C@@]2(C)CN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822670043 606757786 /nfs/dbraw/zinc/75/77/86/606757786.db2.gz ZPENMXOYQIFPGC-CRAIPNDOSA-N -1 3 382.428 0.374 20 0 GCADHM Cn1cc([C@@]2(C)CN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822670043 606757787 /nfs/dbraw/zinc/75/77/87/606757787.db2.gz ZPENMXOYQIFPGC-CRAIPNDOSA-N -1 3 382.428 0.374 20 0 GCADHM CC(C)(C)OC(=O)NC1(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)CC1 ZINC000819933250 606759108 /nfs/dbraw/zinc/75/91/08/606759108.db2.gz LBMYQJNKRHPOSV-UHFFFAOYSA-N -1 3 378.393 0.246 20 0 GCADHM CC(C)(C)OC(=O)NC1(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)CC1 ZINC000819933250 606759110 /nfs/dbraw/zinc/75/91/10/606759110.db2.gz LBMYQJNKRHPOSV-UHFFFAOYSA-N -1 3 378.393 0.246 20 0 GCADHM COC(=O)[C@H](OC(=O)c1cc(C(N)=O)cn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648383 606759997 /nfs/dbraw/zinc/75/99/97/606759997.db2.gz IVSYBEVHCXNESQ-CYBMUJFWSA-N -1 3 384.352 0.375 20 0 GCADHM COC(=O)[C@H](OC(=O)c1cc(C(N)=O)cn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648383 606759998 /nfs/dbraw/zinc/75/99/98/606759998.db2.gz IVSYBEVHCXNESQ-CYBMUJFWSA-N -1 3 384.352 0.375 20 0 GCADHM CN1CCO[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3-c3nnn[n-]3)C[C@@H]21 ZINC000821628447 606761262 /nfs/dbraw/zinc/76/12/62/606761262.db2.gz IYFRQIZHHXNPKH-UONOGXRCSA-N -1 3 377.836 0.473 20 0 GCADHM CN1CCO[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3-c3nn[n-]n3)C[C@@H]21 ZINC000821628447 606761264 /nfs/dbraw/zinc/76/12/64/606761264.db2.gz IYFRQIZHHXNPKH-UONOGXRCSA-N -1 3 377.836 0.473 20 0 GCADHM C[C@@H](OC(=O)[C@@H]1CCNC(=O)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820488940 606761897 /nfs/dbraw/zinc/76/18/97/606761897.db2.gz XBJVUVAAUATKLG-RKDXNWHRSA-N -1 3 392.803 0.917 20 0 GCADHM C[C@@H](OC(=O)[C@@H]1CCNC(=O)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820488940 606761898 /nfs/dbraw/zinc/76/18/98/606761898.db2.gz XBJVUVAAUATKLG-RKDXNWHRSA-N -1 3 392.803 0.917 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821286879 606762579 /nfs/dbraw/zinc/76/25/79/606762579.db2.gz YUVUSHIEWXXJSC-GFCCVEGCSA-N -1 3 386.416 0.034 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821286879 606762581 /nfs/dbraw/zinc/76/25/81/606762581.db2.gz YUVUSHIEWXXJSC-GFCCVEGCSA-N -1 3 386.416 0.034 20 0 GCADHM CCOC(=O)CN1CCC[C@@H](OC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821330034 606762831 /nfs/dbraw/zinc/76/28/31/606762831.db2.gz BPTLADUFEVCGOD-OAHLLOKOSA-N -1 3 389.412 0.816 20 0 GCADHM O=C(COC(=O)[C@@H]1CCNC(=O)C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823519827 606764004 /nfs/dbraw/zinc/76/40/04/606764004.db2.gz JDEAVXRTSLZOGX-MRVPVSSYSA-N -1 3 378.776 0.528 20 0 GCADHM O=C(COC(=O)[C@@H]1CCNC(=O)C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823519827 606764006 /nfs/dbraw/zinc/76/40/06/606764006.db2.gz JDEAVXRTSLZOGX-MRVPVSSYSA-N -1 3 378.776 0.528 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822705143 606764005 /nfs/dbraw/zinc/76/40/05/606764005.db2.gz XBNJFYFVGFKIIB-SNVBAGLBSA-N -1 3 392.420 0.703 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000822215971 606765036 /nfs/dbraw/zinc/76/50/36/606765036.db2.gz ANJSDYWGAXJIHV-UHFFFAOYSA-N -1 3 392.441 0.149 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000822215971 606765037 /nfs/dbraw/zinc/76/50/37/606765037.db2.gz ANJSDYWGAXJIHV-UHFFFAOYSA-N -1 3 392.441 0.149 20 0 GCADHM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)C[C@H]21 ZINC000821629052 606766264 /nfs/dbraw/zinc/76/62/64/606766264.db2.gz XNSZUTIECDFOGV-CHWSQXEVSA-N -1 3 391.819 0.000 20 0 GCADHM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)C[C@H]21 ZINC000821629052 606766267 /nfs/dbraw/zinc/76/62/67/606766267.db2.gz XNSZUTIECDFOGV-CHWSQXEVSA-N -1 3 391.819 0.000 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3cc(-c4nnn[n-]4)ccc3Cl)C[C@@H]21 ZINC000821628479 606766330 /nfs/dbraw/zinc/76/63/30/606766330.db2.gz JKFUNBNCJPFWLX-STQMWFEESA-N -1 3 391.819 0.000 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3cc(-c4nn[n-]n4)ccc3Cl)C[C@@H]21 ZINC000821628479 606766332 /nfs/dbraw/zinc/76/63/32/606766332.db2.gz JKFUNBNCJPFWLX-STQMWFEESA-N -1 3 391.819 0.000 20 0 GCADHM Cn1cc([C@@]2(C)CN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822669687 606766556 /nfs/dbraw/zinc/76/65/56/606766556.db2.gz LRUZWJMHTDUHEK-GOSISDBHSA-N -1 3 383.412 0.753 20 0 GCADHM Cn1cc([C@@]2(C)CN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822669687 606766557 /nfs/dbraw/zinc/76/65/57/606766557.db2.gz LRUZWJMHTDUHEK-GOSISDBHSA-N -1 3 383.412 0.753 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CC[C@@]3(CCOC3)C2)C1=O ZINC000820633687 606769174 /nfs/dbraw/zinc/76/91/74/606769174.db2.gz CTAIQSDCMMZWRR-RTBURBONSA-N -1 3 397.439 0.704 20 0 GCADHM Cc1oc(NC(=O)CN2CCO[C@@H]([C@H]3CCCO3)C2)c(-c2nnn[n-]2)c1C ZINC000822548998 606771089 /nfs/dbraw/zinc/77/10/89/606771089.db2.gz REPOCVXIMDZZQM-CHWSQXEVSA-N -1 3 376.417 0.895 20 0 GCADHM CC1(C)CN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CCS1(=O)=O ZINC000820601179 606775653 /nfs/dbraw/zinc/77/56/53/606775653.db2.gz DDUSOFWZIXTDRM-UHFFFAOYSA-N -1 3 384.487 0.766 20 0 GCADHM CC1(C)CN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CCS1(=O)=O ZINC000820601179 606775654 /nfs/dbraw/zinc/77/56/54/606775654.db2.gz DDUSOFWZIXTDRM-UHFFFAOYSA-N -1 3 384.487 0.766 20 0 GCADHM Cc1oc(NC(=O)CN2CCS(=O)(=O)C(C)(C)C2)c(-c2nnn[n-]2)c1C ZINC000822548779 606776887 /nfs/dbraw/zinc/77/68/87/606776887.db2.gz NPVSRFMOWBMMKJ-UHFFFAOYSA-N -1 3 382.446 0.524 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@H](O)COc1ccccc1 ZINC000820788228 606777458 /nfs/dbraw/zinc/77/74/58/606777458.db2.gz BDUHZLBYRIDJIP-GJZGRUSLSA-N -1 3 396.455 0.607 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C[C@H](O)COc1ccccc1 ZINC000820788228 606777459 /nfs/dbraw/zinc/77/74/59/606777459.db2.gz BDUHZLBYRIDJIP-GJZGRUSLSA-N -1 3 396.455 0.607 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC[S@@](=O)c1ccccc1 ZINC000820788947 606778077 /nfs/dbraw/zinc/77/80/77/606778077.db2.gz RUEMNTVSLZYDRE-GMYLUUGSSA-N -1 3 398.496 0.975 20 0 GCADHM Cc1csc(=O)n1CCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822408685 606779731 /nfs/dbraw/zinc/77/97/31/606779731.db2.gz GOMRBFDBERVFNI-NSHDSACASA-N -1 3 387.473 0.399 20 0 GCADHM Cc1csc(=O)n1CCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822408685 606779732 /nfs/dbraw/zinc/77/97/32/606779732.db2.gz GOMRBFDBERVFNI-NSHDSACASA-N -1 3 387.473 0.399 20 0 GCADHM Cc1cc(NC(=O)CCN2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)no1 ZINC000822207114 606780041 /nfs/dbraw/zinc/78/00/41/606780041.db2.gz LBVWZPZFGVYFOJ-LLVKDONJSA-N -1 3 398.431 0.492 20 0 GCADHM Cc1cc(NC(=O)CCN2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)no1 ZINC000822207114 606780044 /nfs/dbraw/zinc/78/00/44/606780044.db2.gz LBVWZPZFGVYFOJ-LLVKDONJSA-N -1 3 398.431 0.492 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cccc(C(N)=O)c1 ZINC000820803893 606780806 /nfs/dbraw/zinc/78/08/06/606780806.db2.gz JKDWMCGPVOXIDP-GFCCVEGCSA-N -1 3 379.428 0.466 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cccc(C(N)=O)c1 ZINC000820803893 606780808 /nfs/dbraw/zinc/78/08/08/606780808.db2.gz JKDWMCGPVOXIDP-GFCCVEGCSA-N -1 3 379.428 0.466 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823211899 606795519 /nfs/dbraw/zinc/79/55/19/606795519.db2.gz TZYVVDIVSIEEHU-HOTGVXAUSA-N -1 3 388.428 0.835 20 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ZINC000821932922 606808027 /nfs/dbraw/zinc/80/80/27/606808027.db2.gz UIAOOANTZRAHLD-SMDDNHRTSA-N -1 3 387.469 0.967 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)[C@H]1CSC(=O)N1 ZINC000823540336 606808962 /nfs/dbraw/zinc/80/89/62/606808962.db2.gz AVTRDJLDUSAEMS-GFCCVEGCSA-N -1 3 389.441 0.591 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)[C@H]1CSC(=O)N1 ZINC000823540336 606808964 /nfs/dbraw/zinc/80/89/64/606808964.db2.gz AVTRDJLDUSAEMS-GFCCVEGCSA-N -1 3 389.441 0.591 20 0 GCADHM CCCn1cc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000821147438 606814194 /nfs/dbraw/zinc/81/41/94/606814194.db2.gz GDUFAIDTNYAHNU-UHFFFAOYSA-N -1 3 384.404 0.035 20 0 GCADHM CCCn1cc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000821147438 606814196 /nfs/dbraw/zinc/81/41/96/606814196.db2.gz GDUFAIDTNYAHNU-UHFFFAOYSA-N -1 3 384.404 0.035 20 0 GCADHM Cn1cc(NC(=O)C(=O)NCCSCc2ccccc2-c2nnn[n-]2)cn1 ZINC000822685429 606814200 /nfs/dbraw/zinc/81/42/00/606814200.db2.gz ZRXYVGHREUCQBG-UHFFFAOYSA-N -1 3 386.441 0.588 20 0 GCADHM Cn1cc(NC(=O)C(=O)NCCSCc2ccccc2-c2nn[n-]n2)cn1 ZINC000822685429 606814201 /nfs/dbraw/zinc/81/42/01/606814201.db2.gz ZRXYVGHREUCQBG-UHFFFAOYSA-N -1 3 386.441 0.588 20 0 GCADHM NC(=O)C1(NCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)CC1 ZINC000822860479 606814976 /nfs/dbraw/zinc/81/49/76/606814976.db2.gz WGLHJKXYKILZFF-UHFFFAOYSA-N -1 3 375.458 0.743 20 0 GCADHM NC(=O)C1(NCC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)CC1 ZINC000822860479 606814978 /nfs/dbraw/zinc/81/49/78/606814978.db2.gz WGLHJKXYKILZFF-UHFFFAOYSA-N -1 3 375.458 0.743 20 0 GCADHM COc1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)C1=O ZINC000821898528 606817190 /nfs/dbraw/zinc/81/71/90/606817190.db2.gz PRXOALIVFXUGPX-ZDUSSCGKSA-N -1 3 379.380 0.806 20 0 GCADHM COc1ccccc1N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)C1=O ZINC000821898528 606817191 /nfs/dbraw/zinc/81/71/91/606817191.db2.gz PRXOALIVFXUGPX-ZDUSSCGKSA-N -1 3 379.380 0.806 20 0 GCADHM O=C(NCc1ccn2ccnc2c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823261693 606817729 /nfs/dbraw/zinc/81/77/29/606817729.db2.gz QMQLSLGEKMTZSS-UHFFFAOYSA-N -1 3 380.343 0.908 20 0 GCADHM O=C(NCc1ccn2ccnc2c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823261693 606817731 /nfs/dbraw/zinc/81/77/31/606817731.db2.gz QMQLSLGEKMTZSS-UHFFFAOYSA-N -1 3 380.343 0.908 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)CC[C@@H](C)O ZINC000820474691 606818403 /nfs/dbraw/zinc/81/84/03/606818403.db2.gz UXBMMBJWFSKALK-LLVKDONJSA-N -1 3 376.417 0.822 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CC[C@@H](C)O ZINC000820474691 606818406 /nfs/dbraw/zinc/81/84/06/606818406.db2.gz UXBMMBJWFSKALK-LLVKDONJSA-N -1 3 376.417 0.822 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821932790 606818878 /nfs/dbraw/zinc/81/88/78/606818878.db2.gz QZCXVPQQRUEQTP-LSDHHAIUSA-N -1 3 392.485 0.633 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821932790 606818880 /nfs/dbraw/zinc/81/88/80/606818880.db2.gz QZCXVPQQRUEQTP-LSDHHAIUSA-N -1 3 392.485 0.633 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821931713 606819157 /nfs/dbraw/zinc/81/91/57/606819157.db2.gz GPNDWNYUDFYGGR-WCQYABFASA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821931713 606819158 /nfs/dbraw/zinc/81/91/58/606819158.db2.gz GPNDWNYUDFYGGR-WCQYABFASA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821933295 606819173 /nfs/dbraw/zinc/81/91/73/606819173.db2.gz ZPJUOPWYEFGLRF-ZIAGYGMSSA-N -1 3 378.458 0.243 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821933295 606819174 /nfs/dbraw/zinc/81/91/74/606819174.db2.gz ZPJUOPWYEFGLRF-ZIAGYGMSSA-N -1 3 378.458 0.243 20 0 GCADHM CCN1C(=O)N=NC1C1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000821563939 606820355 /nfs/dbraw/zinc/82/03/55/606820355.db2.gz MYKHMSRUMOZAPK-UHFFFAOYSA-N -1 3 398.427 0.969 20 0 GCADHM CCN1C(=O)N=NC1C1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000821563939 606820357 /nfs/dbraw/zinc/82/03/57/606820357.db2.gz MYKHMSRUMOZAPK-UHFFFAOYSA-N -1 3 398.427 0.969 20 0 GCADHM COC(=O)C[C@H]1CSCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821660390 606822294 /nfs/dbraw/zinc/82/22/94/606822294.db2.gz PJEQLACOIJGFAX-ZDUSSCGKSA-N -1 3 376.442 0.786 20 0 GCADHM COC(=O)C[C@H]1CSCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821660390 606822295 /nfs/dbraw/zinc/82/22/95/606822295.db2.gz PJEQLACOIJGFAX-ZDUSSCGKSA-N -1 3 376.442 0.786 20 0 GCADHM CC(=O)CCCCOC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819782279 606827734 /nfs/dbraw/zinc/82/77/34/606827734.db2.gz KJVIGWNDTDDGJX-UHFFFAOYSA-N -1 3 381.414 0.448 20 0 GCADHM CC(=O)CCCCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819782279 606827735 /nfs/dbraw/zinc/82/77/35/606827735.db2.gz KJVIGWNDTDDGJX-UHFFFAOYSA-N -1 3 381.414 0.448 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000821690040 606835130 /nfs/dbraw/zinc/83/51/30/606835130.db2.gz WXGABKNGLWAAIK-GFCCVEGCSA-N -1 3 386.416 0.187 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cn1cc([C@@H](C)O)nn1 ZINC000821690040 606835131 /nfs/dbraw/zinc/83/51/31/606835131.db2.gz WXGABKNGLWAAIK-GFCCVEGCSA-N -1 3 386.416 0.187 20 0 GCADHM CC(C)n1cc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000820211503 606835699 /nfs/dbraw/zinc/83/56/99/606835699.db2.gz PLFUIZFBRCLVSF-UHFFFAOYSA-N -1 3 384.404 0.206 20 0 GCADHM CC(C)n1cc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000820211503 606835700 /nfs/dbraw/zinc/83/57/00/606835700.db2.gz PLFUIZFBRCLVSF-UHFFFAOYSA-N -1 3 384.404 0.206 20 0 GCADHM CC(C)n1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1 ZINC000820211670 606835886 /nfs/dbraw/zinc/83/58/86/606835886.db2.gz UPAJVAFUFKMRFX-UHFFFAOYSA-N -1 3 384.404 0.206 20 0 GCADHM CC(C)n1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1 ZINC000820211670 606835888 /nfs/dbraw/zinc/83/58/88/606835888.db2.gz UPAJVAFUFKMRFX-UHFFFAOYSA-N -1 3 384.404 0.206 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823191354 606837906 /nfs/dbraw/zinc/83/79/06/606837906.db2.gz KGKUGXHRXZYTEE-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823191354 606837908 /nfs/dbraw/zinc/83/79/08/606837908.db2.gz KGKUGXHRXZYTEE-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000821400776 606838026 /nfs/dbraw/zinc/83/80/26/606838026.db2.gz OJRMBNVKHKBXGB-GOSISDBHSA-N -1 3 386.412 0.843 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000821400776 606838029 /nfs/dbraw/zinc/83/80/29/606838029.db2.gz OJRMBNVKHKBXGB-GOSISDBHSA-N -1 3 386.412 0.843 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823337427 606838704 /nfs/dbraw/zinc/83/87/04/606838704.db2.gz LWAAXHIIFYUJFC-KBPBESRZSA-N -1 3 390.375 0.351 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823337427 606838706 /nfs/dbraw/zinc/83/87/06/606838706.db2.gz LWAAXHIIFYUJFC-KBPBESRZSA-N -1 3 390.375 0.351 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN(c2ccccn2)CC1 ZINC000823607690 606841479 /nfs/dbraw/zinc/84/14/79/606841479.db2.gz WBEBHCFRHQVLIO-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(c2ccccn2)CC1 ZINC000823607690 606841480 /nfs/dbraw/zinc/84/14/80/606841480.db2.gz WBEBHCFRHQVLIO-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN(c2nccs2)CC1 ZINC000823607228 606841493 /nfs/dbraw/zinc/84/14/93/606841493.db2.gz RWGZAEDZXWCQHQ-UHFFFAOYSA-N -1 3 395.445 0.973 20 0 GCADHM COC(=O)CC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821658821 606842889 /nfs/dbraw/zinc/84/28/89/606842889.db2.gz JUHGTYVZGZRELF-UHFFFAOYSA-N -1 3 383.405 0.970 20 0 GCADHM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821638768 606843827 /nfs/dbraw/zinc/84/38/27/606843827.db2.gz HTXLDOLIUZIVIA-LBPRGKRZSA-N -1 3 394.457 0.128 20 0 GCADHM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821638768 606843829 /nfs/dbraw/zinc/84/38/29/606843829.db2.gz HTXLDOLIUZIVIA-LBPRGKRZSA-N -1 3 394.457 0.128 20 0 GCADHM CO[C@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000821675205 606845244 /nfs/dbraw/zinc/84/52/44/606845244.db2.gz GKFRTIPFVBEOQW-MRVPVSSYSA-N -1 3 397.392 0.917 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821692265 606845915 /nfs/dbraw/zinc/84/59/15/606845915.db2.gz SLMKNNPGSSNSTP-NSHDSACASA-N -1 3 385.421 0.679 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823566162 606846890 /nfs/dbraw/zinc/84/68/90/606846890.db2.gz AFQCCDLBSBJOHP-GJZGRUSLSA-N -1 3 379.442 0.576 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823566162 606846892 /nfs/dbraw/zinc/84/68/92/606846892.db2.gz AFQCCDLBSBJOHP-GJZGRUSLSA-N -1 3 379.442 0.576 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823600331 606846908 /nfs/dbraw/zinc/84/69/08/606846908.db2.gz GJEMGSFFBSIZGU-OLZOCXBDSA-N -1 3 383.405 0.574 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823600331 606846909 /nfs/dbraw/zinc/84/69/09/606846909.db2.gz GJEMGSFFBSIZGU-OLZOCXBDSA-N -1 3 383.405 0.574 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823600333 606846960 /nfs/dbraw/zinc/84/69/60/606846960.db2.gz GJEMGSFFBSIZGU-STQMWFEESA-N -1 3 383.405 0.574 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823600333 606846961 /nfs/dbraw/zinc/84/69/61/606846961.db2.gz GJEMGSFFBSIZGU-STQMWFEESA-N -1 3 383.405 0.574 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823606260 606847419 /nfs/dbraw/zinc/84/74/19/606847419.db2.gz HSTMNBZZVVAGMI-OLZOCXBDSA-N -1 3 383.405 0.574 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000822222389 606849095 /nfs/dbraw/zinc/84/90/95/606849095.db2.gz FJIMGGLTROHTGD-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000822222389 606849096 /nfs/dbraw/zinc/84/90/96/606849096.db2.gz FJIMGGLTROHTGD-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM NC(=O)c1ccc(-c2nnn(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000822879571 606851515 /nfs/dbraw/zinc/85/15/15/606851515.db2.gz CVPWIRPAHMVXRY-AWEZNQCLSA-N -1 3 377.368 0.353 20 0 GCADHM NC(=O)c1ccc(-c2nnn(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000822879571 606851517 /nfs/dbraw/zinc/85/15/17/606851517.db2.gz CVPWIRPAHMVXRY-AWEZNQCLSA-N -1 3 377.368 0.353 20 0 GCADHM CCOC(=O)[C@H](C)N(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821315688 606857008 /nfs/dbraw/zinc/85/70/08/606857008.db2.gz VILZCBIXHQKJRR-JTQLQIEISA-N -1 3 384.400 0.658 20 0 GCADHM CCOC(=O)[C@H](C)N(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821315688 606857009 /nfs/dbraw/zinc/85/70/09/606857009.db2.gz VILZCBIXHQKJRR-JTQLQIEISA-N -1 3 384.400 0.658 20 0 GCADHM Cc1noc([C@H](C)N2CCN(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822519779 606861069 /nfs/dbraw/zinc/86/10/69/606861069.db2.gz LRHLFQUYAOIAAF-LRDDRELGSA-N -1 3 384.444 0.970 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCOc2c1c(C)nn2C ZINC000821700696 606861635 /nfs/dbraw/zinc/86/16/35/606861635.db2.gz VEMUXNHMVUTONV-UHFFFAOYSA-N -1 3 385.384 0.722 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCOc2c1c(C)nn2C ZINC000821700696 606861636 /nfs/dbraw/zinc/86/16/36/606861636.db2.gz VEMUXNHMVUTONV-UHFFFAOYSA-N -1 3 385.384 0.722 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822674333 606862761 /nfs/dbraw/zinc/86/27/61/606862761.db2.gz QQVZNEPUVHIHCI-GJZGRUSLSA-N -1 3 381.396 0.251 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674333 606862762 /nfs/dbraw/zinc/86/27/62/606862762.db2.gz QQVZNEPUVHIHCI-GJZGRUSLSA-N -1 3 381.396 0.251 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696607 606862927 /nfs/dbraw/zinc/86/29/27/606862927.db2.gz JNWVAPJILWJLIK-BXUZGUMPSA-N -1 3 397.443 0.980 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696607 606862928 /nfs/dbraw/zinc/86/29/28/606862928.db2.gz JNWVAPJILWJLIK-BXUZGUMPSA-N -1 3 397.443 0.980 20 0 GCADHM CC(C)n1nnnc1CS(=O)(=O)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820220376 606863387 /nfs/dbraw/zinc/86/33/87/606863387.db2.gz SMTUPZDQVMXJKM-GFCCVEGCSA-N -1 3 378.418 0.083 20 0 GCADHM CC(C)n1nnnc1CS(=O)(=O)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820220376 606863388 /nfs/dbraw/zinc/86/33/88/606863388.db2.gz SMTUPZDQVMXJKM-GFCCVEGCSA-N -1 3 378.418 0.083 20 0 GCADHM CCNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821293626 606869499 /nfs/dbraw/zinc/86/94/99/606869499.db2.gz MFGCTEDOYIDECY-UHFFFAOYSA-N -1 3 375.414 0.423 20 0 GCADHM CCNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821293626 606869500 /nfs/dbraw/zinc/86/95/00/606869500.db2.gz MFGCTEDOYIDECY-UHFFFAOYSA-N -1 3 375.414 0.423 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822860629 606870124 /nfs/dbraw/zinc/87/01/24/606870124.db2.gz ZTHUJVRYJXSLAJ-HUUCEWRRSA-N -1 3 387.444 0.979 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696850 606871674 /nfs/dbraw/zinc/87/16/74/606871674.db2.gz RMFXHMKDTBUWBV-SMDDNHRTSA-N -1 3 397.443 0.980 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696850 606871676 /nfs/dbraw/zinc/87/16/76/606871676.db2.gz RMFXHMKDTBUWBV-SMDDNHRTSA-N -1 3 397.443 0.980 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H](C)C1 ZINC000819797245 606872614 /nfs/dbraw/zinc/87/26/14/606872614.db2.gz XAUWQIYHOGWZFA-SECBINFHSA-N -1 3 384.849 0.761 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H](C)C1 ZINC000819797245 606872616 /nfs/dbraw/zinc/87/26/16/606872616.db2.gz XAUWQIYHOGWZFA-SECBINFHSA-N -1 3 384.849 0.761 20 0 GCADHM CC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000819803614 606885579 /nfs/dbraw/zinc/88/55/79/606885579.db2.gz NXQYBKNHZKGEQX-JTQLQIEISA-N -1 3 386.384 0.434 20 0 GCADHM CC(=O)N[C@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000819803614 606885581 /nfs/dbraw/zinc/88/55/81/606885581.db2.gz NXQYBKNHZKGEQX-JTQLQIEISA-N -1 3 386.384 0.434 20 0 GCADHM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000821631527 606890211 /nfs/dbraw/zinc/89/02/11/606890211.db2.gz KZXSQYWUFHWPKX-QMMMGPOBSA-N -1 3 386.384 0.292 20 0 GCADHM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821631527 606890212 /nfs/dbraw/zinc/89/02/12/606890212.db2.gz KZXSQYWUFHWPKX-QMMMGPOBSA-N -1 3 386.384 0.292 20 0 GCADHM CN(CCN1CCCC1=O)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821601509 606890546 /nfs/dbraw/zinc/89/05/46/606890546.db2.gz LAXPEONKEMMCPV-UHFFFAOYSA-N -1 3 386.384 0.388 20 0 GCADHM CN(CCN1CCCC1=O)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821601509 606890547 /nfs/dbraw/zinc/89/05/47/606890547.db2.gz LAXPEONKEMMCPV-UHFFFAOYSA-N -1 3 386.384 0.388 20 0 GCADHM Cn1cnc2c1CCN(S(=O)(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)C2 ZINC000822699123 606896208 /nfs/dbraw/zinc/89/62/08/606896208.db2.gz PCTPIUWPNQOVCE-UHFFFAOYSA-N -1 3 381.368 0.625 20 0 GCADHM Cn1cnc2c1CCN(S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)C2 ZINC000822699123 606896210 /nfs/dbraw/zinc/89/62/10/606896210.db2.gz PCTPIUWPNQOVCE-UHFFFAOYSA-N -1 3 381.368 0.625 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822859716 606898394 /nfs/dbraw/zinc/89/83/94/606898394.db2.gz IOAVXZQWGYENRM-ZWNOBZJWSA-N -1 3 382.421 0.718 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822859716 606898395 /nfs/dbraw/zinc/89/83/95/606898395.db2.gz IOAVXZQWGYENRM-ZWNOBZJWSA-N -1 3 382.421 0.718 20 0 GCADHM CCNC(=O)NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821285599 606900969 /nfs/dbraw/zinc/90/09/69/606900969.db2.gz LHZKPRIBNWYABX-UHFFFAOYSA-N -1 3 386.290 0.888 20 0 GCADHM CCNC(=O)NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821285599 606900970 /nfs/dbraw/zinc/90/09/70/606900970.db2.gz LHZKPRIBNWYABX-UHFFFAOYSA-N -1 3 386.290 0.888 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)c1ccc2nnnn2c1 ZINC000823219554 606903235 /nfs/dbraw/zinc/90/32/35/606903235.db2.gz LEDORWQFKQOELD-UHFFFAOYSA-N -1 3 381.425 0.968 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)c1ccc2nnnn2c1 ZINC000823219554 606903237 /nfs/dbraw/zinc/90/32/37/606903237.db2.gz LEDORWQFKQOELD-UHFFFAOYSA-N -1 3 381.425 0.968 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696861 606904370 /nfs/dbraw/zinc/90/43/70/606904370.db2.gz RUEFPMDYRDONRI-WCQYABFASA-N -1 3 398.427 0.503 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CC2 ZINC000821696371 606904552 /nfs/dbraw/zinc/90/45/52/606904552.db2.gz AMEFBYVCVCJIPN-VIFPVBQESA-N -1 3 390.354 0.628 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000821696371 606904554 /nfs/dbraw/zinc/90/45/54/606904554.db2.gz AMEFBYVCVCJIPN-VIFPVBQESA-N -1 3 390.354 0.628 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CCN2C1=O ZINC000821239260 606905663 /nfs/dbraw/zinc/90/56/63/606905663.db2.gz AFORVVAIAPJXQW-GFCCVEGCSA-N -1 3 388.363 0.506 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CCN2C1=O ZINC000821239260 606905665 /nfs/dbraw/zinc/90/56/65/606905665.db2.gz AFORVVAIAPJXQW-GFCCVEGCSA-N -1 3 388.363 0.506 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(-c3nnn[n-]3)ccc1OC)CC2 ZINC000821696904 606906614 /nfs/dbraw/zinc/90/66/14/606906614.db2.gz UAUQDHCKGQJBHV-LLVKDONJSA-N -1 3 399.415 0.750 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)Nc1cc(-c3nn[n-]n3)ccc1OC)CC2 ZINC000821696904 606906616 /nfs/dbraw/zinc/90/66/16/606906616.db2.gz UAUQDHCKGQJBHV-LLVKDONJSA-N -1 3 399.415 0.750 20 0 GCADHM Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)no1 ZINC000822207233 606906644 /nfs/dbraw/zinc/90/66/44/606906644.db2.gz PAYXTFLFSFHFET-KRWDZBQOSA-N -1 3 396.367 0.569 20 0 GCADHM Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)no1 ZINC000822207233 606906646 /nfs/dbraw/zinc/90/66/46/606906646.db2.gz PAYXTFLFSFHFET-KRWDZBQOSA-N -1 3 396.367 0.569 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000821696827 606906734 /nfs/dbraw/zinc/90/67/34/606906734.db2.gz QXLTUOYXLRFUOD-JTQLQIEISA-N -1 3 387.379 0.880 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000821696827 606906735 /nfs/dbraw/zinc/90/67/35/606906735.db2.gz QXLTUOYXLRFUOD-JTQLQIEISA-N -1 3 387.379 0.880 20 0 GCADHM CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820015503 606907006 /nfs/dbraw/zinc/90/70/06/606907006.db2.gz DCPBBCFMXFBDIX-ZMZPIMSZSA-N -1 3 385.428 0.794 20 0 GCADHM CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820015503 606907008 /nfs/dbraw/zinc/90/70/08/606907008.db2.gz DCPBBCFMXFBDIX-ZMZPIMSZSA-N -1 3 385.428 0.794 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000820704362 606914147 /nfs/dbraw/zinc/91/41/47/606914147.db2.gz NWWHCUQRAGWMEX-HXPMCKFVSA-N -1 3 397.439 0.892 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000820704362 606914149 /nfs/dbraw/zinc/91/41/49/606914149.db2.gz NWWHCUQRAGWMEX-HXPMCKFVSA-N -1 3 397.439 0.892 20 0 GCADHM Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1C)CCO2 ZINC000822144425 606914652 /nfs/dbraw/zinc/91/46/52/606914652.db2.gz MEPDWHDRACYGKL-UHFFFAOYSA-N -1 3 375.414 0.805 20 0 GCADHM Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1C)CCO2 ZINC000822144425 606914653 /nfs/dbraw/zinc/91/46/53/606914653.db2.gz MEPDWHDRACYGKL-UHFFFAOYSA-N -1 3 375.414 0.805 20 0 GCADHM CCc1nnc(NCCCN2CCCS2(=O)=O)c(-c2nnn[n-]2)c1CC ZINC000821535791 606929619 /nfs/dbraw/zinc/92/96/19/606929619.db2.gz OZBLHRLGTUWCNJ-UHFFFAOYSA-N -1 3 380.478 0.619 20 0 GCADHM CCc1nnc(NCCCN2CCCS2(=O)=O)c(-c2nn[n-]n2)c1CC ZINC000821535791 606929621 /nfs/dbraw/zinc/92/96/21/606929621.db2.gz OZBLHRLGTUWCNJ-UHFFFAOYSA-N -1 3 380.478 0.619 20 0 GCADHM CCc1nnc(N2CCC(S(=O)(=O)NC)CC2)c(-c2nnn[n-]2)c1CC ZINC000821521195 606934213 /nfs/dbraw/zinc/93/42/13/606934213.db2.gz DTHDFSFQCXDCFG-UHFFFAOYSA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCC(S(=O)(=O)NC)CC2)c(-c2nn[n-]n2)c1CC ZINC000821521195 606934215 /nfs/dbraw/zinc/93/42/15/606934215.db2.gz DTHDFSFQCXDCFG-UHFFFAOYSA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCC[C@@H](S(=O)(=O)NC)C2)c(-c2nnn[n-]2)c1CC ZINC000821522262 606935541 /nfs/dbraw/zinc/93/55/41/606935541.db2.gz KOJDOOBGVPSKIH-SNVBAGLBSA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(N2CCC[C@@H](S(=O)(=O)NC)C2)c(-c2nn[n-]n2)c1CC ZINC000821522262 606935543 /nfs/dbraw/zinc/93/55/43/606935543.db2.gz KOJDOOBGVPSKIH-SNVBAGLBSA-N -1 3 380.478 0.300 20 0 GCADHM CCc1nnc(NCC2(O)CCS(=O)(=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000821535833 606938623 /nfs/dbraw/zinc/93/86/23/606938623.db2.gz QHOOABQIAJIBMY-UHFFFAOYSA-N -1 3 381.462 0.133 20 0 GCADHM CCc1nnc(NCC2(O)CCS(=O)(=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000821535833 606938625 /nfs/dbraw/zinc/93/86/25/606938625.db2.gz QHOOABQIAJIBMY-UHFFFAOYSA-N -1 3 381.462 0.133 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@H]2N1 ZINC000281734934 606942704 /nfs/dbraw/zinc/94/27/04/606942704.db2.gz IAVJUEWFKMDZRA-CHWSQXEVSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@@H]2CCCC[C@H]2N1 ZINC000281734934 606942706 /nfs/dbraw/zinc/94/27/06/606942706.db2.gz IAVJUEWFKMDZRA-CHWSQXEVSA-N -1 3 396.860 0.952 20 0 GCADHM CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)cn1)CCO2 ZINC000821937939 606943553 /nfs/dbraw/zinc/94/35/53/606943553.db2.gz UEEOKJRVNPAHHD-UHFFFAOYSA-N -1 3 386.393 0.704 20 0 GCADHM CS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)cn1)CCO2 ZINC000821937939 606943555 /nfs/dbraw/zinc/94/35/55/606943555.db2.gz UEEOKJRVNPAHHD-UHFFFAOYSA-N -1 3 386.393 0.704 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@H]2CCCC[C@H]2N1 ZINC000823536178 606943806 /nfs/dbraw/zinc/94/38/06/606943806.db2.gz UYFHJSAQTZHBRE-NEPJUHHUSA-N -1 3 380.405 0.438 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@H]2CCCC[C@H]2N1 ZINC000823536178 606943807 /nfs/dbraw/zinc/94/38/07/606943807.db2.gz UYFHJSAQTZHBRE-NEPJUHHUSA-N -1 3 380.405 0.438 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H]2CCCC[C@H]2N1 ZINC000823535643 606943942 /nfs/dbraw/zinc/94/39/42/606943942.db2.gz CPAAQEUPERRKPK-VXGBXAGGSA-N -1 3 398.395 0.577 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H]2CCCC[C@H]2N1 ZINC000823535643 606943944 /nfs/dbraw/zinc/94/39/44/606943944.db2.gz CPAAQEUPERRKPK-VXGBXAGGSA-N -1 3 398.395 0.577 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]2CCCC[C@@H]2N1 ZINC000823536197 606943956 /nfs/dbraw/zinc/94/39/56/606943956.db2.gz VHGKODWSKPMBPI-QWHCGFSZSA-N -1 3 380.405 0.438 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@@H]2CCCC[C@@H]2N1 ZINC000823536179 606944028 /nfs/dbraw/zinc/94/40/28/606944028.db2.gz UYFHJSAQTZHBRE-NWDGAFQWSA-N -1 3 380.405 0.438 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@@H]2CCCC[C@@H]2N1 ZINC000823536179 606944030 /nfs/dbraw/zinc/94/40/30/606944030.db2.gz UYFHJSAQTZHBRE-NWDGAFQWSA-N -1 3 380.405 0.438 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820467293 606949347 /nfs/dbraw/zinc/94/93/47/606949347.db2.gz CWTVWUDXCPJXGT-IAQYHMDHSA-N -1 3 389.412 0.454 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820467293 606949349 /nfs/dbraw/zinc/94/93/49/606949349.db2.gz CWTVWUDXCPJXGT-IAQYHMDHSA-N -1 3 389.412 0.454 20 0 GCADHM CC(C)(NS(C)(=O)=O)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819991292 606950988 /nfs/dbraw/zinc/95/09/88/606950988.db2.gz FBWUUJCADDPMPS-UHFFFAOYSA-N -1 3 383.430 0.507 20 0 GCADHM CC(C)(NS(C)(=O)=O)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819991292 606950990 /nfs/dbraw/zinc/95/09/90/606950990.db2.gz FBWUUJCADDPMPS-UHFFFAOYSA-N -1 3 383.430 0.507 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OC[C@H]2C1 ZINC000822916791 606954219 /nfs/dbraw/zinc/95/42/19/606954219.db2.gz DFLAKDMWEZJCEQ-HUUCEWRRSA-N -1 3 383.412 0.499 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000822614343 606955749 /nfs/dbraw/zinc/95/57/49/606955749.db2.gz MBHSLGQWBPNJMQ-QWHCGFSZSA-N -1 3 375.437 0.365 20 0 GCADHM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)n1 ZINC000822614343 606955751 /nfs/dbraw/zinc/95/57/51/606955751.db2.gz MBHSLGQWBPNJMQ-QWHCGFSZSA-N -1 3 375.437 0.365 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000822614345 606956272 /nfs/dbraw/zinc/95/62/72/606956272.db2.gz MBHSLGQWBPNJMQ-STQMWFEESA-N -1 3 375.437 0.365 20 0 GCADHM Cn1cc(-c2nn[n-]n2)c(NC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)n1 ZINC000822614345 606956273 /nfs/dbraw/zinc/95/62/73/606956273.db2.gz MBHSLGQWBPNJMQ-STQMWFEESA-N -1 3 375.437 0.365 20 0 GCADHM O=C(NCc1cnn(CC(F)(F)F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823266499 606966458 /nfs/dbraw/zinc/96/64/58/606966458.db2.gz WBAGWYKNKXHPOU-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM O=C(NCc1cnn(CC(F)(F)F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823266499 606966460 /nfs/dbraw/zinc/96/64/60/606966460.db2.gz WBAGWYKNKXHPOU-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823309274 606967105 /nfs/dbraw/zinc/96/71/05/606967105.db2.gz VUPUOJADACATPH-CQSZACIVSA-N -1 3 379.380 0.880 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823309274 606967107 /nfs/dbraw/zinc/96/71/07/606967107.db2.gz VUPUOJADACATPH-CQSZACIVSA-N -1 3 379.380 0.880 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823205892 606968409 /nfs/dbraw/zinc/96/84/09/606968409.db2.gz BCGGMJIJRJXYMO-CYBMUJFWSA-N -1 3 395.427 0.932 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823205892 606968411 /nfs/dbraw/zinc/96/84/11/606968411.db2.gz BCGGMJIJRJXYMO-CYBMUJFWSA-N -1 3 395.427 0.932 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC[C@H](Oc2ccccn2)C1 ZINC000823205893 606968614 /nfs/dbraw/zinc/96/86/14/606968614.db2.gz BCGGMJIJRJXYMO-ZDUSSCGKSA-N -1 3 395.427 0.932 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC[C@H](Oc2ccccn2)C1 ZINC000823205893 606968616 /nfs/dbraw/zinc/96/86/16/606968616.db2.gz BCGGMJIJRJXYMO-ZDUSSCGKSA-N -1 3 395.427 0.932 20 0 GCADHM O=c1ccccn1CCN1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000823664778 606970857 /nfs/dbraw/zinc/97/08/57/606970857.db2.gz DZIDLQVJLXFSTM-UHFFFAOYSA-N -1 3 383.431 0.985 20 0 GCADHM O=c1ccccn1CCN1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000823664778 606970859 /nfs/dbraw/zinc/97/08/59/606970859.db2.gz DZIDLQVJLXFSTM-UHFFFAOYSA-N -1 3 383.431 0.985 20 0 GCADHM CC(C)OCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820142311 606979815 /nfs/dbraw/zinc/97/98/15/606979815.db2.gz JZUDJIDHJULHKI-LBPRGKRZSA-N -1 3 396.473 0.465 20 0 GCADHM CC(C)OCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820142311 606979816 /nfs/dbraw/zinc/97/98/16/606979816.db2.gz JZUDJIDHJULHKI-LBPRGKRZSA-N -1 3 396.473 0.465 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ccco1 ZINC000820444851 606981695 /nfs/dbraw/zinc/98/16/95/606981695.db2.gz MLWJIYYCQJPFEA-LLVKDONJSA-N -1 3 390.425 0.785 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ccco1 ZINC000820444851 606981696 /nfs/dbraw/zinc/98/16/96/606981696.db2.gz MLWJIYYCQJPFEA-LLVKDONJSA-N -1 3 390.425 0.785 20 0 GCADHM COCCc1noc(CN(C)[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821694254 606983869 /nfs/dbraw/zinc/98/38/69/606983869.db2.gz DWLCCJKICHELQG-NSHDSACASA-N -1 3 386.416 0.898 20 0 GCADHM COCCc1noc(CN(C)[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821694254 606983871 /nfs/dbraw/zinc/98/38/71/606983871.db2.gz DWLCCJKICHELQG-NSHDSACASA-N -1 3 386.416 0.898 20 0 GCADHM COCCc1noc(CN(C)[C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821694342 606983937 /nfs/dbraw/zinc/98/39/37/606983937.db2.gz JBADQVKZQOIVBJ-OAHLLOKOSA-N -1 3 387.400 0.785 20 0 GCADHM COCCc1noc(CN(C)[C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821694342 606983939 /nfs/dbraw/zinc/98/39/39/606983939.db2.gz JBADQVKZQOIVBJ-OAHLLOKOSA-N -1 3 387.400 0.785 20 0 GCADHM COC(=O)c1cc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc(S(C)(=O)=O)c1 ZINC000821668165 606985068 /nfs/dbraw/zinc/98/50/68/606985068.db2.gz SIZHTZFAJYMKNC-UHFFFAOYSA-N -1 3 390.381 0.637 20 0 GCADHM COC(=O)c1cc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc(S(C)(=O)=O)c1 ZINC000821668165 606985069 /nfs/dbraw/zinc/98/50/69/606985069.db2.gz SIZHTZFAJYMKNC-UHFFFAOYSA-N -1 3 390.381 0.637 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000822899612 606985517 /nfs/dbraw/zinc/98/55/17/606985517.db2.gz LYIPGKCEXTVRMI-LBPRGKRZSA-N -1 3 390.411 0.645 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000822899612 606985519 /nfs/dbraw/zinc/98/55/19/606985519.db2.gz LYIPGKCEXTVRMI-LBPRGKRZSA-N -1 3 390.411 0.645 20 0 GCADHM COC(C)(C)CN(C)CC(=O)N1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1 ZINC000821672835 606985792 /nfs/dbraw/zinc/98/57/92/606985792.db2.gz ZSLVIWFFKAIFNY-UHFFFAOYSA-N -1 3 392.464 0.169 20 0 GCADHM COCCc1noc(CN(C)C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000821694433 606987623 /nfs/dbraw/zinc/98/76/23/606987623.db2.gz MZYCOGPWDFGAQD-LLVKDONJSA-N -1 3 387.400 0.865 20 0 GCADHM COCCc1noc(CN(C)C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)n1 ZINC000821694433 606987625 /nfs/dbraw/zinc/98/76/25/606987625.db2.gz MZYCOGPWDFGAQD-LLVKDONJSA-N -1 3 387.400 0.865 20 0 GCADHM COC(=O)[C@@H](NCCS(=O)(=O)CC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821643053 606987810 /nfs/dbraw/zinc/98/78/10/606987810.db2.gz UYSPHCYEPGUROD-AWEZNQCLSA-N -1 3 379.442 0.495 20 0 GCADHM COC(=O)[C@@H](NCCS(=O)(=O)CC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821643053 606987811 /nfs/dbraw/zinc/98/78/11/606987811.db2.gz UYSPHCYEPGUROD-AWEZNQCLSA-N -1 3 379.442 0.495 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C2CCC1CC2 ZINC000820438673 606988954 /nfs/dbraw/zinc/98/89/54/606988954.db2.gz UOMJHOSVBJLODN-QFWMXSHPSA-N -1 3 376.442 0.687 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C2CCC1CC2 ZINC000820438673 606988955 /nfs/dbraw/zinc/98/89/55/606988955.db2.gz UOMJHOSVBJLODN-QFWMXSHPSA-N -1 3 376.442 0.687 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)C1=O ZINC000820606956 606990000 /nfs/dbraw/zinc/99/00/00/606990000.db2.gz GZWQGNNADDYOJV-KRWDZBQOSA-N -1 3 388.359 0.770 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)C1=O ZINC000820606956 606990001 /nfs/dbraw/zinc/99/00/01/606990001.db2.gz GZWQGNNADDYOJV-KRWDZBQOSA-N -1 3 388.359 0.770 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@@H]1CCCO1 ZINC000820449739 606990160 /nfs/dbraw/zinc/99/01/60/606990160.db2.gz BMUGATFMUVACAE-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@@H]1CCCO1 ZINC000820449739 606990161 /nfs/dbraw/zinc/99/01/61/606990161.db2.gz BMUGATFMUVACAE-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC000822242725 606992469 /nfs/dbraw/zinc/99/24/69/606992469.db2.gz VRKDGDFCDULNST-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC000822242725 606992470 /nfs/dbraw/zinc/99/24/70/606992470.db2.gz VRKDGDFCDULNST-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000820734356 606993383 /nfs/dbraw/zinc/99/33/83/606993383.db2.gz LXSCFUBYZNHCLQ-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000820734356 606993384 /nfs/dbraw/zinc/99/33/84/606993384.db2.gz LXSCFUBYZNHCLQ-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000820734763 606993516 /nfs/dbraw/zinc/99/35/16/606993516.db2.gz OMOATNXHDRKRLF-QJPTWQEYSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000820734763 606993518 /nfs/dbraw/zinc/99/35/18/606993518.db2.gz OMOATNXHDRKRLF-QJPTWQEYSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000820444004 606995045 /nfs/dbraw/zinc/99/50/45/606995045.db2.gz DCTXQQUCDOQOBO-MJVIPROJSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000820444004 606995046 /nfs/dbraw/zinc/99/50/46/606995046.db2.gz DCTXQQUCDOQOBO-MJVIPROJSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)cn1 ZINC000820450310 606998249 /nfs/dbraw/zinc/99/82/49/606998249.db2.gz JLTLDRWGGCADNV-SECBINFHSA-N -1 3 391.388 0.706 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)cn1 ZINC000820450310 606998250 /nfs/dbraw/zinc/99/82/50/606998250.db2.gz JLTLDRWGGCADNV-SECBINFHSA-N -1 3 391.388 0.706 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCSCC1 ZINC000820443930 606998263 /nfs/dbraw/zinc/99/82/63/606998263.db2.gz BKUBPRNEUSCFDV-NSHDSACASA-N -1 3 396.498 0.499 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCSCC1 ZINC000820443930 606998264 /nfs/dbraw/zinc/99/82/64/606998264.db2.gz BKUBPRNEUSCFDV-NSHDSACASA-N -1 3 396.498 0.499 20 0 GCADHM Cc1cccnc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822369413 606998584 /nfs/dbraw/zinc/99/85/84/606998584.db2.gz JDNMJXWMMYLVCJ-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cccnc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822369413 606998585 /nfs/dbraw/zinc/99/85/85/606998585.db2.gz JDNMJXWMMYLVCJ-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1csc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822414497 606998749 /nfs/dbraw/zinc/99/87/49/606998749.db2.gz HWQNWVZVTCMHHR-SECBINFHSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1csc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822414497 606998750 /nfs/dbraw/zinc/99/87/50/606998750.db2.gz HWQNWVZVTCMHHR-SECBINFHSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1cccnc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822369414 606998876 /nfs/dbraw/zinc/99/88/76/606998876.db2.gz JDNMJXWMMYLVCJ-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cccnc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822369414 606998877 /nfs/dbraw/zinc/99/88/77/606998877.db2.gz JDNMJXWMMYLVCJ-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820467709 607001483 /nfs/dbraw/zinc/00/14/83/607001483.db2.gz MBTPOXDGTWZPEY-RNCFNFMXSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820467709 607001485 /nfs/dbraw/zinc/00/14/85/607001485.db2.gz MBTPOXDGTWZPEY-RNCFNFMXSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccoc1 ZINC000820444124 607001776 /nfs/dbraw/zinc/00/17/76/607001776.db2.gz GQJBGXNUIOUPAT-SNVBAGLBSA-N -1 3 376.398 0.443 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccoc1 ZINC000820444124 607001778 /nfs/dbraw/zinc/00/17/78/607001778.db2.gz GQJBGXNUIOUPAT-SNVBAGLBSA-N -1 3 376.398 0.443 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCCO1 ZINC000820449670 607001819 /nfs/dbraw/zinc/00/18/19/607001819.db2.gz ABXUEXFCLDDDAT-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCCO1 ZINC000820449670 607001822 /nfs/dbraw/zinc/00/18/22/607001822.db2.gz ABXUEXFCLDDDAT-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820438355 607002028 /nfs/dbraw/zinc/00/20/28/607002028.db2.gz NMLFPSOBYRDGQV-WDEREUQCSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820438355 607002029 /nfs/dbraw/zinc/00/20/29/607002029.db2.gz NMLFPSOBYRDGQV-WDEREUQCSA-N -1 3 378.458 0.696 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nnn[n-]1)c1cccc2nonc21 ZINC000823578405 607004262 /nfs/dbraw/zinc/00/42/62/607004262.db2.gz OWOYMPQAFRKUDT-UHFFFAOYSA-N -1 3 387.385 0.188 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nn[n-]n1)c1cccc2nonc21 ZINC000823578405 607004264 /nfs/dbraw/zinc/00/42/64/607004264.db2.gz OWOYMPQAFRKUDT-UHFFFAOYSA-N -1 3 387.385 0.188 20 0 GCADHM CS(=O)(=O)c1ccccc1NNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821940963 607004444 /nfs/dbraw/zinc/00/44/44/607004444.db2.gz ANZYZPVVKHMVMF-UHFFFAOYSA-N -1 3 394.438 0.576 20 0 GCADHM CS(=O)(=O)c1ccccc1NNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821940963 607004445 /nfs/dbraw/zinc/00/44/45/607004445.db2.gz ANZYZPVVKHMVMF-UHFFFAOYSA-N -1 3 394.438 0.576 20 0 GCADHM O=S(=O)(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cccc2nonc21 ZINC000823577938 607004559 /nfs/dbraw/zinc/00/45/59/607004559.db2.gz DDEAJBSGHJCCTA-UHFFFAOYSA-N -1 3 387.385 0.188 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1nnc2n1CCCC2 ZINC000820444009 607005068 /nfs/dbraw/zinc/00/50/68/607005068.db2.gz DFBIMKKIZOVINY-SECBINFHSA-N -1 3 392.420 0.973 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1nnc2n1CCCC2 ZINC000820444009 607005070 /nfs/dbraw/zinc/00/50/70/607005070.db2.gz DFBIMKKIZOVINY-SECBINFHSA-N -1 3 392.420 0.973 20 0 GCADHM O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823572198 607006505 /nfs/dbraw/zinc/00/65/05/607006505.db2.gz DNOLVSAJSKTWON-SECBINFHSA-N -1 3 391.862 0.376 20 0 GCADHM O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823572198 607006506 /nfs/dbraw/zinc/00/65/06/607006506.db2.gz DNOLVSAJSKTWON-SECBINFHSA-N -1 3 391.862 0.376 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(Cc1ccc(F)c(-c3nnn[n-]3)c1)c2=O ZINC000821663989 607008054 /nfs/dbraw/zinc/00/80/54/607008054.db2.gz XRSWPMRYVFXEKC-UHFFFAOYSA-N -1 3 384.331 0.134 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(Cc1ccc(F)c(-c3nn[n-]n3)c1)c2=O ZINC000821663989 607008057 /nfs/dbraw/zinc/00/80/57/607008057.db2.gz XRSWPMRYVFXEKC-UHFFFAOYSA-N -1 3 384.331 0.134 20 0 GCADHM COCCCNC(=O)CN(C)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821687833 607009638 /nfs/dbraw/zinc/00/96/38/607009638.db2.gz QQFBKDQKKVSAEZ-UHFFFAOYSA-N -1 3 390.444 0.635 20 0 GCADHM COCCCNC(=O)CN(C)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821687833 607009640 /nfs/dbraw/zinc/00/96/40/607009640.db2.gz QQFBKDQKKVSAEZ-UHFFFAOYSA-N -1 3 390.444 0.635 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOC(C)(C)C ZINC000820444350 607016937 /nfs/dbraw/zinc/01/69/37/607016937.db2.gz IUDLANBBNMVXGE-NSHDSACASA-N -1 3 396.473 0.465 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOC(C)(C)C ZINC000820444350 607016939 /nfs/dbraw/zinc/01/69/39/607016939.db2.gz IUDLANBBNMVXGE-NSHDSACASA-N -1 3 396.473 0.465 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000821400088 607018990 /nfs/dbraw/zinc/01/89/90/607018990.db2.gz DTYMSGJTOHHNCK-GFCCVEGCSA-N -1 3 396.411 0.601 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000823290361 607019566 /nfs/dbraw/zinc/01/95/66/607019566.db2.gz XBYCSRAVBJUERC-JTQLQIEISA-N -1 3 386.803 0.855 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC(=O)Nc1ccncc1 ZINC000819997412 607019903 /nfs/dbraw/zinc/01/99/03/607019903.db2.gz VBPHJQSCPPUJRB-UHFFFAOYSA-N -1 3 395.423 0.986 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000820444768 607020182 /nfs/dbraw/zinc/02/01/82/607020182.db2.gz LRLYVMSLAGPRGH-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@@H]1CCCO1 ZINC000820444768 607020184 /nfs/dbraw/zinc/02/01/84/607020184.db2.gz LRLYVMSLAGPRGH-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCO[C@@H](C)C1 ZINC000820734207 607020341 /nfs/dbraw/zinc/02/03/41/607020341.db2.gz LSCZFUOHRATVDT-NWDGAFQWSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCO[C@@H](C)C1 ZINC000820734207 607020343 /nfs/dbraw/zinc/02/03/43/607020343.db2.gz LSCZFUOHRATVDT-NWDGAFQWSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)S(=O)(=O)C1CCOCC1 ZINC000819865334 607020851 /nfs/dbraw/zinc/02/08/51/607020851.db2.gz CVUWWTDLBWUBAM-SECBINFHSA-N -1 3 383.405 0.927 20 0 GCADHM C[C@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000819865334 607020852 /nfs/dbraw/zinc/02/08/52/607020852.db2.gz CVUWWTDLBWUBAM-SECBINFHSA-N -1 3 383.405 0.927 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)S(=O)(=O)C1CCOCC1 ZINC000819865335 607020976 /nfs/dbraw/zinc/02/09/76/607020976.db2.gz CVUWWTDLBWUBAM-VIFPVBQESA-N -1 3 383.405 0.927 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000819865335 607020978 /nfs/dbraw/zinc/02/09/78/607020978.db2.gz CVUWWTDLBWUBAM-VIFPVBQESA-N -1 3 383.405 0.927 20 0 GCADHM COCC(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821680528 607021470 /nfs/dbraw/zinc/02/14/70/607021470.db2.gz LTOPXGIJJWVGMJ-SNVBAGLBSA-N -1 3 382.446 0.075 20 0 GCADHM COCC(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821680528 607021471 /nfs/dbraw/zinc/02/14/71/607021471.db2.gz LTOPXGIJJWVGMJ-SNVBAGLBSA-N -1 3 382.446 0.075 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821656090 607021504 /nfs/dbraw/zinc/02/15/04/607021504.db2.gz XMUCDCYSAMPEAK-ZDUSSCGKSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821656090 607021505 /nfs/dbraw/zinc/02/15/05/607021505.db2.gz XMUCDCYSAMPEAK-ZDUSSCGKSA-N -1 3 375.385 0.425 20 0 GCADHM CC[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820981520 607021603 /nfs/dbraw/zinc/02/16/03/607021603.db2.gz SEGDBFKZHFHUDF-WCQYABFASA-N -1 3 378.458 0.935 20 0 GCADHM CC[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820981520 607021604 /nfs/dbraw/zinc/02/16/04/607021604.db2.gz SEGDBFKZHFHUDF-WCQYABFASA-N -1 3 378.458 0.935 20 0 GCADHM Cc1cnccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822400042 607023266 /nfs/dbraw/zinc/02/32/66/607023266.db2.gz UQCPJQQLMQHBDK-LLVKDONJSA-N -1 3 387.425 0.298 20 0 GCADHM Cc1cnccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822400042 607023267 /nfs/dbraw/zinc/02/32/67/607023267.db2.gz UQCPJQQLMQHBDK-LLVKDONJSA-N -1 3 387.425 0.298 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000819996941 607025616 /nfs/dbraw/zinc/02/56/16/607025616.db2.gz OEZUUJDYIJCRCJ-GFCCVEGCSA-N -1 3 379.442 0.718 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000819996941 607025617 /nfs/dbraw/zinc/02/56/17/607025617.db2.gz OEZUUJDYIJCRCJ-GFCCVEGCSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CC1(C)C ZINC000820443877 607025776 /nfs/dbraw/zinc/02/57/76/607025776.db2.gz AGPIAOMDBAEXOG-PWSUYJOCSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CC1(C)C ZINC000820443877 607025778 /nfs/dbraw/zinc/02/57/78/607025778.db2.gz AGPIAOMDBAEXOG-PWSUYJOCSA-N -1 3 378.458 0.696 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@]3(O)CCCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000822895555 607032732 /nfs/dbraw/zinc/03/27/32/607032732.db2.gz STLYCIKQZAKBFA-MEDUHNTESA-N -1 3 378.458 0.646 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@]3(O)CCCC[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC000822895555 607032734 /nfs/dbraw/zinc/03/27/34/607032734.db2.gz STLYCIKQZAKBFA-MEDUHNTESA-N -1 3 378.458 0.646 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000821588337 607037361 /nfs/dbraw/zinc/03/73/61/607037361.db2.gz NBTRSJDWWMCUCR-UHFFFAOYSA-N -1 3 378.389 0.466 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(=O)n(Cc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000821588337 607037363 /nfs/dbraw/zinc/03/73/63/607037363.db2.gz NBTRSJDWWMCUCR-UHFFFAOYSA-N -1 3 378.389 0.466 20 0 GCADHM CSCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821962625 607038204 /nfs/dbraw/zinc/03/82/04/607038204.db2.gz UEHGIZKMKKWLNW-JTQLQIEISA-N -1 3 384.487 0.403 20 0 GCADHM CSCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821962625 607038207 /nfs/dbraw/zinc/03/82/07/607038207.db2.gz UEHGIZKMKKWLNW-JTQLQIEISA-N -1 3 384.487 0.403 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC=CCC1 ZINC000820443963 607039660 /nfs/dbraw/zinc/03/96/60/607039660.db2.gz CEPSQBNPGRVNSC-WCQYABFASA-N -1 3 376.442 0.758 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC=CCC1 ZINC000820443963 607039662 /nfs/dbraw/zinc/03/96/62/607039662.db2.gz CEPSQBNPGRVNSC-WCQYABFASA-N -1 3 376.442 0.758 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000819991216 607039893 /nfs/dbraw/zinc/03/98/93/607039893.db2.gz CCYFPPBEANFLDL-CYBMUJFWSA-N -1 3 394.457 0.304 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000820438774 607041556 /nfs/dbraw/zinc/04/15/56/607041556.db2.gz WNRXUNZNIRHTCQ-JKOKRWQUSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000820438774 607041559 /nfs/dbraw/zinc/04/15/59/607041559.db2.gz WNRXUNZNIRHTCQ-JKOKRWQUSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCSC[C@@H]1C ZINC000820445379 607041749 /nfs/dbraw/zinc/04/17/49/607041749.db2.gz PCPNHOBCRAHAAL-QWRGUYRKSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCSC[C@@H]1C ZINC000820445379 607041751 /nfs/dbraw/zinc/04/17/51/607041751.db2.gz PCPNHOBCRAHAAL-QWRGUYRKSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000820438473 607042392 /nfs/dbraw/zinc/04/23/92/607042392.db2.gz QGBDZMOYXUJOES-SRVKXCTJSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000820438473 607042393 /nfs/dbraw/zinc/04/23/93/607042393.db2.gz QGBDZMOYXUJOES-SRVKXCTJSA-N -1 3 394.457 0.169 20 0 GCADHM CC(C)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820450040 607042689 /nfs/dbraw/zinc/04/26/89/607042689.db2.gz GFHMJOCSFXONNO-NEPJUHHUSA-N -1 3 380.474 0.942 20 0 GCADHM CC(C)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820450040 607042691 /nfs/dbraw/zinc/04/26/91/607042691.db2.gz GFHMJOCSFXONNO-NEPJUHHUSA-N -1 3 380.474 0.942 20 0 GCADHM CCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000821470747 607042924 /nfs/dbraw/zinc/04/29/24/607042924.db2.gz STTRUMYNOHMIGO-VIFPVBQESA-N -1 3 391.413 0.723 20 0 GCADHM CCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000821470747 607042925 /nfs/dbraw/zinc/04/29/25/607042925.db2.gz STTRUMYNOHMIGO-VIFPVBQESA-N -1 3 391.413 0.723 20 0 GCADHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCN1C(=O)CNC1=O ZINC000821119396 607043115 /nfs/dbraw/zinc/04/31/15/607043115.db2.gz YOPCTCDWZAUQTQ-UHFFFAOYSA-N -1 3 386.416 0.959 20 0 GCADHM C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@@H]1n1ccnc1 ZINC000820727900 607047511 /nfs/dbraw/zinc/04/75/11/607047511.db2.gz QLXZNJDMZYEWCL-NHYWBVRUSA-N -1 3 388.457 0.798 20 0 GCADHM C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@@H]1n1ccnc1 ZINC000820727900 607047512 /nfs/dbraw/zinc/04/75/12/607047512.db2.gz QLXZNJDMZYEWCL-NHYWBVRUSA-N -1 3 388.457 0.798 20 0 GCADHM C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@H]1n1ccnc1 ZINC000820727901 607047640 /nfs/dbraw/zinc/04/76/40/607047640.db2.gz QLXZNJDMZYEWCL-XHDPSFHLSA-N -1 3 388.457 0.798 20 0 GCADHM C[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@H]1n1ccnc1 ZINC000820727901 607047642 /nfs/dbraw/zinc/04/76/42/607047642.db2.gz QLXZNJDMZYEWCL-XHDPSFHLSA-N -1 3 388.457 0.798 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821696661 607048445 /nfs/dbraw/zinc/04/84/45/607048445.db2.gz LNUQYVOOKRCUNA-ZDUSSCGKSA-N -1 3 393.473 0.807 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821696661 607048446 /nfs/dbraw/zinc/04/84/46/607048446.db2.gz LNUQYVOOKRCUNA-ZDUSSCGKSA-N -1 3 393.473 0.807 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOC1CCC1 ZINC000820445197 607049238 /nfs/dbraw/zinc/04/92/38/607049238.db2.gz OLGPHZARVYDLOW-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOC1CCC1 ZINC000820445197 607049240 /nfs/dbraw/zinc/04/92/40/607049240.db2.gz OLGPHZARVYDLOW-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCSC1 ZINC000820450463 607049313 /nfs/dbraw/zinc/04/93/13/607049313.db2.gz KTUCYGJHDSQMJC-KOLCDFICSA-N -1 3 382.471 0.155 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCSC1 ZINC000820450463 607049315 /nfs/dbraw/zinc/04/93/15/607049315.db2.gz KTUCYGJHDSQMJC-KOLCDFICSA-N -1 3 382.471 0.155 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)C2 ZINC000821727242 607049919 /nfs/dbraw/zinc/04/99/19/607049919.db2.gz FMHWYUSMQRXIFD-UHFFFAOYSA-N -1 3 396.415 0.240 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)C2 ZINC000821727242 607049921 /nfs/dbraw/zinc/04/99/21/607049921.db2.gz FMHWYUSMQRXIFD-UHFFFAOYSA-N -1 3 396.415 0.240 20 0 GCADHM CC[C@H](O)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820931655 607051234 /nfs/dbraw/zinc/05/12/34/607051234.db2.gz IDPBRKOHQADIHP-YPMHNXCESA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@H](O)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820931655 607051236 /nfs/dbraw/zinc/05/12/36/607051236.db2.gz IDPBRKOHQADIHP-YPMHNXCESA-N -1 3 396.473 0.201 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000820445139 607051354 /nfs/dbraw/zinc/05/13/54/607051354.db2.gz NXQXFRXPAXZURS-GRYCIOLGSA-N -1 3 378.458 0.648 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000820445139 607051356 /nfs/dbraw/zinc/05/13/56/607051356.db2.gz NXQXFRXPAXZURS-GRYCIOLGSA-N -1 3 378.458 0.648 20 0 GCADHM CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821033912 607051512 /nfs/dbraw/zinc/05/15/12/607051512.db2.gz GYDCBMGLVUPVSI-QKCSRTOESA-N -1 3 378.458 0.838 20 0 GCADHM CCC[C@@H]1C[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821033912 607051514 /nfs/dbraw/zinc/05/15/14/607051514.db2.gz GYDCBMGLVUPVSI-QKCSRTOESA-N -1 3 378.458 0.838 20 0 GCADHM CCC[C@@H]1C[C@@H]1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821034620 607051753 /nfs/dbraw/zinc/05/17/53/607051753.db2.gz PVGFUXFLDRPOGU-WDMOLILDSA-N -1 3 378.458 0.838 20 0 GCADHM CCC[C@@H]1C[C@@H]1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821034620 607051755 /nfs/dbraw/zinc/05/17/55/607051755.db2.gz PVGFUXFLDRPOGU-WDMOLILDSA-N -1 3 378.458 0.838 20 0 GCADHM CSC(C)(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821943197 607051810 /nfs/dbraw/zinc/05/18/10/607051810.db2.gz UEDFBLFFIMWUOB-JTQLQIEISA-N -1 3 398.514 0.791 20 0 GCADHM CSC(C)(C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821943197 607051812 /nfs/dbraw/zinc/05/18/12/607051812.db2.gz UEDFBLFFIMWUOB-JTQLQIEISA-N -1 3 398.514 0.791 20 0 GCADHM CSC(C)(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821943556 607051912 /nfs/dbraw/zinc/05/19/12/607051912.db2.gz WIUKSAPZZRJPPK-SNVBAGLBSA-N -1 3 398.514 0.791 20 0 GCADHM CSC(C)(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821943556 607051913 /nfs/dbraw/zinc/05/19/13/607051913.db2.gz WIUKSAPZZRJPPK-SNVBAGLBSA-N -1 3 398.514 0.791 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ccc[nH]1 ZINC000820438220 607052297 /nfs/dbraw/zinc/05/22/97/607052297.db2.gz KYMKMLINCSWOCY-LLVKDONJSA-N -1 3 389.441 0.520 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ccc[nH]1 ZINC000820438220 607052299 /nfs/dbraw/zinc/05/22/99/607052299.db2.gz KYMKMLINCSWOCY-LLVKDONJSA-N -1 3 389.441 0.520 20 0 GCADHM Cc1cnc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822389391 607053389 /nfs/dbraw/zinc/05/33/89/607053389.db2.gz UXFPWYGSTMHXDY-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM Cc1cnc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822389391 607053390 /nfs/dbraw/zinc/05/33/90/607053390.db2.gz UXFPWYGSTMHXDY-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000820444356 607053926 /nfs/dbraw/zinc/05/39/26/607053926.db2.gz JCRIMQBSPMYXKY-WOPDTQHZSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000820444356 607053928 /nfs/dbraw/zinc/05/39/28/607053928.db2.gz JCRIMQBSPMYXKY-WOPDTQHZSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCSC1 ZINC000820437821 607053960 /nfs/dbraw/zinc/05/39/60/607053960.db2.gz DFSVXNXQTMZOPT-ZYHUDNBSSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCSC1 ZINC000820437821 607053961 /nfs/dbraw/zinc/05/39/61/607053961.db2.gz DFSVXNXQTMZOPT-ZYHUDNBSSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C[C@H]1CCOC1 ZINC000820438783 607054050 /nfs/dbraw/zinc/05/40/50/607054050.db2.gz WQKDYDMFALIJDB-NWDGAFQWSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@H]1CCOC1 ZINC000820438783 607054052 /nfs/dbraw/zinc/05/40/52/607054052.db2.gz WQKDYDMFALIJDB-NWDGAFQWSA-N -1 3 394.457 0.028 20 0 GCADHM CCC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820958655 607054598 /nfs/dbraw/zinc/05/45/98/607054598.db2.gz WTLLKSVUHDHOBM-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM CCC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820958655 607054600 /nfs/dbraw/zinc/05/46/00/607054600.db2.gz WTLLKSVUHDHOBM-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@H]1CCOC1 ZINC000820445163 607054615 /nfs/dbraw/zinc/05/46/15/607054615.db2.gz ODOMQSOLIDRFLN-NWDGAFQWSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@H]1CCOC1 ZINC000820445163 607054617 /nfs/dbraw/zinc/05/46/17/607054617.db2.gz ODOMQSOLIDRFLN-NWDGAFQWSA-N -1 3 394.457 0.028 20 0 GCADHM Cc1cncc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822399453 607054908 /nfs/dbraw/zinc/05/49/08/607054908.db2.gz IKQCCKJIKMZZHQ-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cncc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822399453 607054909 /nfs/dbraw/zinc/05/49/09/607054909.db2.gz IKQCCKJIKMZZHQ-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCCS1 ZINC000820444034 607060315 /nfs/dbraw/zinc/06/03/15/607060315.db2.gz DTBJBUYGBPJTDI-JQWIXIFHSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCS1 ZINC000820444034 607060316 /nfs/dbraw/zinc/06/03/16/607060316.db2.gz DTBJBUYGBPJTDI-JQWIXIFHSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCS1 ZINC000820451903 607061017 /nfs/dbraw/zinc/06/10/17/607061017.db2.gz YIRIOBYRNZFNNV-CMPLNLGQSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCS1 ZINC000820451903 607061019 /nfs/dbraw/zinc/06/10/19/607061019.db2.gz YIRIOBYRNZFNNV-CMPLNLGQSA-N -1 3 396.498 0.545 20 0 GCADHM CC[C@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820902867 607061122 /nfs/dbraw/zinc/06/11/22/607061122.db2.gz PAHGASCJDVZLLI-VXGBXAGGSA-N -1 3 396.473 0.058 20 0 GCADHM CC[C@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820902867 607061124 /nfs/dbraw/zinc/06/11/24/607061124.db2.gz PAHGASCJDVZLLI-VXGBXAGGSA-N -1 3 396.473 0.058 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCC1CCC1 ZINC000820450639 607061153 /nfs/dbraw/zinc/06/11/53/607061153.db2.gz NVYQBLBQNBFEND-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCC1CCC1 ZINC000820450639 607061156 /nfs/dbraw/zinc/06/11/56/607061156.db2.gz NVYQBLBQNBFEND-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM CC(=O)N1CCCN([C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)CC1 ZINC000819796487 607062905 /nfs/dbraw/zinc/06/29/05/607062905.db2.gz KAROJMDBSLSEFX-CXAGYDPISA-N -1 3 398.471 0.276 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@]1(CCO)CCOC1 ZINC000819997126 607063044 /nfs/dbraw/zinc/06/30/44/607063044.db2.gz RGPTWGBVGWRCOX-SFHVURJKSA-N -1 3 375.429 0.929 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@]1(CCO)CCOC1 ZINC000819997126 607063045 /nfs/dbraw/zinc/06/30/45/607063045.db2.gz RGPTWGBVGWRCOX-SFHVURJKSA-N -1 3 375.429 0.929 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820249402 607063097 /nfs/dbraw/zinc/06/30/97/607063097.db2.gz WPHDUTGSNJKOEF-NSHDSACASA-N -1 3 381.458 0.964 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820249402 607063099 /nfs/dbraw/zinc/06/30/99/607063099.db2.gz WPHDUTGSNJKOEF-NSHDSACASA-N -1 3 381.458 0.964 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820995887 607063362 /nfs/dbraw/zinc/06/33/62/607063362.db2.gz ZUPKOSMMHOKLIF-UKRRQHHQSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820995887 607063363 /nfs/dbraw/zinc/06/33/63/607063363.db2.gz ZUPKOSMMHOKLIF-UKRRQHHQSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000820993755 607063474 /nfs/dbraw/zinc/06/34/74/607063474.db2.gz BFMYFWQCGCJTOX-ZYHUDNBSSA-N -1 3 379.446 0.052 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000820993755 607063476 /nfs/dbraw/zinc/06/34/76/607063476.db2.gz BFMYFWQCGCJTOX-ZYHUDNBSSA-N -1 3 379.446 0.052 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820859035 607063589 /nfs/dbraw/zinc/06/35/89/607063589.db2.gz ARWXXNPFHCDRNL-WDMOLILDSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820859035 607063590 /nfs/dbraw/zinc/06/35/90/607063590.db2.gz ARWXXNPFHCDRNL-WDMOLILDSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[S@@](C)=O ZINC000820243109 607064485 /nfs/dbraw/zinc/06/44/85/607064485.db2.gz VQRSTCGIACBXKT-KHXSAUHESA-N -1 3 392.489 0.250 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[S@@](C)=O ZINC000820243109 607064487 /nfs/dbraw/zinc/06/44/87/607064487.db2.gz VQRSTCGIACBXKT-KHXSAUHESA-N -1 3 392.489 0.250 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000820445372 607065367 /nfs/dbraw/zinc/06/53/67/607065367.db2.gz PBLKGESEEBBYCM-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000820445372 607065369 /nfs/dbraw/zinc/06/53/69/607065369.db2.gz PBLKGESEEBBYCM-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000820438303 607065705 /nfs/dbraw/zinc/06/57/05/607065705.db2.gz MKMHIWHIOJSKKV-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000820438303 607065707 /nfs/dbraw/zinc/06/57/07/607065707.db2.gz MKMHIWHIOJSKKV-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1=O ZINC000820958786 607071312 /nfs/dbraw/zinc/07/13/12/607071312.db2.gz ZRIBDCSSRIGXPG-INIZCTEOSA-N -1 3 376.348 0.770 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1=O ZINC000820958786 607071313 /nfs/dbraw/zinc/07/13/13/607071313.db2.gz ZRIBDCSSRIGXPG-INIZCTEOSA-N -1 3 376.348 0.770 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCCO1 ZINC000820445874 607079306 /nfs/dbraw/zinc/07/93/06/607079306.db2.gz RHTGIPLZWKGANT-PWSUYJOCSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCCO1 ZINC000820445874 607079308 /nfs/dbraw/zinc/07/93/08/607079308.db2.gz RHTGIPLZWKGANT-PWSUYJOCSA-N -1 3 381.414 0.256 20 0 GCADHM CCCCOCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821071530 607079723 /nfs/dbraw/zinc/07/97/23/607079723.db2.gz HLDXCZYCVIGXFJ-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM CCCCOCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821071530 607079724 /nfs/dbraw/zinc/07/97/24/607079724.db2.gz HLDXCZYCVIGXFJ-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821696514 607080153 /nfs/dbraw/zinc/08/01/53/607080153.db2.gz GLEAIEWKSAGXCK-ZDUSSCGKSA-N -1 3 394.457 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCOC1 ZINC000820452105 607080811 /nfs/dbraw/zinc/08/08/11/607080811.db2.gz ZPPPAMYWWPINFI-WDEREUQCSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCOC1 ZINC000820452105 607080812 /nfs/dbraw/zinc/08/08/12/607080812.db2.gz ZPPPAMYWWPINFI-WDEREUQCSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCOC1 ZINC000820452100 607080861 /nfs/dbraw/zinc/08/08/61/607080861.db2.gz ZPPPAMYWWPINFI-MNOVXSKESA-N -1 3 381.414 0.113 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCOC1 ZINC000820452100 607080863 /nfs/dbraw/zinc/08/08/63/607080863.db2.gz ZPPPAMYWWPINFI-MNOVXSKESA-N -1 3 381.414 0.113 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCCCO1 ZINC000820445974 607082831 /nfs/dbraw/zinc/08/28/31/607082831.db2.gz SAMVMDLLMBIWPJ-DGCLKSJQSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCCCO1 ZINC000820445974 607082833 /nfs/dbraw/zinc/08/28/33/607082833.db2.gz SAMVMDLLMBIWPJ-DGCLKSJQSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCCCO1 ZINC000820450512 607082920 /nfs/dbraw/zinc/08/29/20/607082920.db2.gz LQBZQJZJHSBSTB-DGCLKSJQSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCCCO1 ZINC000820450512 607082921 /nfs/dbraw/zinc/08/29/21/607082921.db2.gz LQBZQJZJHSBSTB-DGCLKSJQSA-N -1 3 395.441 0.646 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1CCCS1(=O)=O ZINC000823061174 607085102 /nfs/dbraw/zinc/08/51/02/607085102.db2.gz YRLZXXXCQHJVSR-ZDUSSCGKSA-N -1 3 381.483 0.793 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCCS1(=O)=O ZINC000823061174 607085104 /nfs/dbraw/zinc/08/51/04/607085104.db2.gz YRLZXXXCQHJVSR-ZDUSSCGKSA-N -1 3 381.483 0.793 20 0 GCADHM CCCOCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821127579 607089505 /nfs/dbraw/zinc/08/95/05/607089505.db2.gz JUSIKSLHSBOAMY-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM CCCOCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821127579 607089507 /nfs/dbraw/zinc/08/95/07/607089507.db2.gz JUSIKSLHSBOAMY-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cnccn1 ZINC000820450571 607090957 /nfs/dbraw/zinc/09/09/57/607090957.db2.gz MWIWVPDCKKBARJ-JTQLQIEISA-N -1 3 389.397 0.067 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cnccn1 ZINC000820450571 607090959 /nfs/dbraw/zinc/09/09/59/607090959.db2.gz MWIWVPDCKKBARJ-JTQLQIEISA-N -1 3 389.397 0.067 20 0 GCADHM CCOCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821378870 607091465 /nfs/dbraw/zinc/09/14/65/607091465.db2.gz VRMRROUFJTWSIF-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM CCOCCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821378870 607091467 /nfs/dbraw/zinc/09/14/67/607091467.db2.gz VRMRROUFJTWSIF-GFCCVEGCSA-N -1 3 397.457 0.893 20 0 GCADHM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC000820451564 607091910 /nfs/dbraw/zinc/09/19/10/607091910.db2.gz VYVMXCUVOSIRQM-DMDPSCGWSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC000820451564 607091911 /nfs/dbraw/zinc/09/19/11/607091911.db2.gz VYVMXCUVOSIRQM-DMDPSCGWSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820804294 607093051 /nfs/dbraw/zinc/09/30/51/607093051.db2.gz PUDPAALTFMNPAS-WCBMZHEXSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820804294 607093053 /nfs/dbraw/zinc/09/30/53/607093053.db2.gz PUDPAALTFMNPAS-WCBMZHEXSA-N -1 3 380.792 0.067 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821170994 607093577 /nfs/dbraw/zinc/09/35/77/607093577.db2.gz ZBDVAPRSISCYIV-AWEZNQCLSA-N -1 3 385.428 0.665 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821170994 607093578 /nfs/dbraw/zinc/09/35/78/607093578.db2.gz ZBDVAPRSISCYIV-AWEZNQCLSA-N -1 3 385.428 0.665 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821170582 607093583 /nfs/dbraw/zinc/09/35/83/607093583.db2.gz TYPSAUUCSYZGCY-AWEZNQCLSA-N -1 3 399.455 0.973 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821170582 607093584 /nfs/dbraw/zinc/09/35/84/607093584.db2.gz TYPSAUUCSYZGCY-AWEZNQCLSA-N -1 3 399.455 0.973 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000819996864 607094311 /nfs/dbraw/zinc/09/43/11/607094311.db2.gz LHBRBUVGQRVCMN-UHFFFAOYSA-N -1 3 393.469 0.965 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000819996864 607094312 /nfs/dbraw/zinc/09/43/12/607094312.db2.gz LHBRBUVGQRVCMN-UHFFFAOYSA-N -1 3 393.469 0.965 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000821319593 607095175 /nfs/dbraw/zinc/09/51/75/607095175.db2.gz FFQPUIDGLLKEHF-GFCCVEGCSA-N -1 3 386.412 0.915 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000821319593 607095177 /nfs/dbraw/zinc/09/51/77/607095177.db2.gz FFQPUIDGLLKEHF-GFCCVEGCSA-N -1 3 386.412 0.915 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC000821755355 607095232 /nfs/dbraw/zinc/09/52/32/607095232.db2.gz FLJDIHSJXUSGQY-UHFFFAOYSA-N -1 3 386.412 0.985 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCOC2(CCCC2)C1 ZINC000821755355 607095237 /nfs/dbraw/zinc/09/52/37/607095237.db2.gz FLJDIHSJXUSGQY-UHFFFAOYSA-N -1 3 386.412 0.985 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[C@H](C)[S@](C)=O ZINC000821755193 607096570 /nfs/dbraw/zinc/09/65/70/607096570.db2.gz ARZYJJOYPSVUJR-MGGBDBEPSA-N -1 3 380.430 0.087 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[C@H](C)[S@](C)=O ZINC000821755193 607096572 /nfs/dbraw/zinc/09/65/72/607096572.db2.gz ARZYJJOYPSVUJR-MGGBDBEPSA-N -1 3 380.430 0.087 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)[S@@](C)=O ZINC000820242321 607096889 /nfs/dbraw/zinc/09/68/89/607096889.db2.gz MYVAUTJSTIQTPR-IWHNICOQSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)[S@@](C)=O ZINC000820242321 607096891 /nfs/dbraw/zinc/09/68/91/607096891.db2.gz MYVAUTJSTIQTPR-IWHNICOQSA-N -1 3 384.849 0.732 20 0 GCADHM CN(C(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821572201 607097052 /nfs/dbraw/zinc/09/70/52/607097052.db2.gz VPIXUANSDSJVMH-UHFFFAOYSA-N -1 3 393.473 0.432 20 0 GCADHM CN(C(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821572201 607097053 /nfs/dbraw/zinc/09/70/53/607097053.db2.gz VPIXUANSDSJVMH-UHFFFAOYSA-N -1 3 393.473 0.432 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[S@@](C)=O ZINC000820242160 607098402 /nfs/dbraw/zinc/09/84/02/607098402.db2.gz LHYCRDSSEXXUPF-FLESLCNUSA-N -1 3 388.457 0.522 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[S@@](C)=O ZINC000820242160 607098404 /nfs/dbraw/zinc/09/84/04/607098404.db2.gz LHYCRDSSEXXUPF-FLESLCNUSA-N -1 3 388.457 0.522 20 0 GCADHM Cc1cc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)c(=O)n(C)c1 ZINC000822209485 607099130 /nfs/dbraw/zinc/09/91/30/607099130.db2.gz KZUWCGRCNVXADM-UHFFFAOYSA-N -1 3 391.395 0.894 20 0 GCADHM Cc1cc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)c(=O)n(C)c1 ZINC000822209485 607099132 /nfs/dbraw/zinc/09/91/32/607099132.db2.gz KZUWCGRCNVXADM-UHFFFAOYSA-N -1 3 391.395 0.894 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821640617 607101310 /nfs/dbraw/zinc/10/13/10/607101310.db2.gz LOEGVNYELWMGNF-CQSZACIVSA-N -1 3 377.401 0.671 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000822217750 607101761 /nfs/dbraw/zinc/10/17/61/607101761.db2.gz MQVYMBVJZQVLQT-UHFFFAOYSA-N -1 3 386.445 0.963 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000822217750 607101762 /nfs/dbraw/zinc/10/17/62/607101762.db2.gz MQVYMBVJZQVLQT-UHFFFAOYSA-N -1 3 386.445 0.963 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821641248 607101822 /nfs/dbraw/zinc/10/18/22/607101822.db2.gz YYCHRMRQHXNKKM-AWEZNQCLSA-N -1 3 376.417 0.704 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1cc(C(N)=O)no1 ZINC000820033274 607103133 /nfs/dbraw/zinc/10/31/33/607103133.db2.gz TUNWEDHJSNGAEY-CQSZACIVSA-N -1 3 385.384 0.673 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1cc(C(N)=O)no1 ZINC000820033274 607103134 /nfs/dbraw/zinc/10/31/34/607103134.db2.gz TUNWEDHJSNGAEY-CQSZACIVSA-N -1 3 385.384 0.673 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820803649 607103254 /nfs/dbraw/zinc/10/32/54/607103254.db2.gz DPXHWJPNRSNAQZ-WDEREUQCSA-N -1 3 392.485 0.827 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820803649 607103255 /nfs/dbraw/zinc/10/32/55/607103255.db2.gz DPXHWJPNRSNAQZ-WDEREUQCSA-N -1 3 392.485 0.827 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)NCCNc1ncccc1-c1nnn[n-]1)C2 ZINC000821727260 607103290 /nfs/dbraw/zinc/10/32/90/607103290.db2.gz GGAGMZANUIQVRJ-UHFFFAOYSA-N -1 3 396.415 0.240 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)NCCNc1ncccc1-c1nn[n-]n1)C2 ZINC000821727260 607103291 /nfs/dbraw/zinc/10/32/91/607103291.db2.gz GGAGMZANUIQVRJ-UHFFFAOYSA-N -1 3 396.415 0.240 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccncc1I ZINC000822655769 607103526 /nfs/dbraw/zinc/10/35/26/607103526.db2.gz XBCVTQBJZYMANL-UHFFFAOYSA-N -1 3 395.164 0.879 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccncc1I ZINC000822655769 607103528 /nfs/dbraw/zinc/10/35/28/607103528.db2.gz XBCVTQBJZYMANL-UHFFFAOYSA-N -1 3 395.164 0.879 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cc1)CN1C(=O)c2ccccc2C1=O ZINC000823027480 607110909 /nfs/dbraw/zinc/11/09/09/607110909.db2.gz VETQVYHZKMOIMG-UHFFFAOYSA-N -1 3 391.343 0.889 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cc1)CN1C(=O)c2ccccc2C1=O ZINC000823027480 607110911 /nfs/dbraw/zinc/11/09/11/607110911.db2.gz VETQVYHZKMOIMG-UHFFFAOYSA-N -1 3 391.343 0.889 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](CNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)O1 ZINC000822860168 607111747 /nfs/dbraw/zinc/11/17/47/607111747.db2.gz OFLSBAZFRQXLQW-GZMMTYOYSA-N -1 3 381.849 0.839 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](CNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)O1 ZINC000822860168 607111748 /nfs/dbraw/zinc/11/17/48/607111748.db2.gz OFLSBAZFRQXLQW-GZMMTYOYSA-N -1 3 381.849 0.839 20 0 GCADHM Cc1ncc(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(N)n1 ZINC000822467307 607113690 /nfs/dbraw/zinc/11/36/90/607113690.db2.gz LEHGBANWNJGUNL-UHFFFAOYSA-N -1 3 379.340 0.954 20 0 GCADHM Cc1ncc(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(N)n1 ZINC000822467307 607113692 /nfs/dbraw/zinc/11/36/92/607113692.db2.gz LEHGBANWNJGUNL-UHFFFAOYSA-N -1 3 379.340 0.954 20 0 GCADHM Cc1ncc(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(N)n1 ZINC000822467427 607113739 /nfs/dbraw/zinc/11/37/39/607113739.db2.gz MNOKYBXWYRGCBM-CYBMUJFWSA-N -1 3 380.368 0.510 20 0 GCADHM Cc1ncc(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(N)n1 ZINC000822467427 607113740 /nfs/dbraw/zinc/11/37/40/607113740.db2.gz MNOKYBXWYRGCBM-CYBMUJFWSA-N -1 3 380.368 0.510 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cscn1 ZINC000820444817 607115888 /nfs/dbraw/zinc/11/58/88/607115888.db2.gz MAHFTBJKBSEMSY-SECBINFHSA-N -1 3 394.438 0.733 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cscn1 ZINC000820444817 607115891 /nfs/dbraw/zinc/11/58/91/607115891.db2.gz MAHFTBJKBSEMSY-SECBINFHSA-N -1 3 394.438 0.733 20 0 GCADHM CC[C@@H](C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820859180 607116809 /nfs/dbraw/zinc/11/68/09/607116809.db2.gz BXSSYEHJRKVOLA-MNOVXSKESA-N -1 3 395.441 0.692 20 0 GCADHM CC[C@@H](C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820859180 607116810 /nfs/dbraw/zinc/11/68/10/607116810.db2.gz BXSSYEHJRKVOLA-MNOVXSKESA-N -1 3 395.441 0.692 20 0 GCADHM O=C(COC(=O)CNC(=O)c1cccnc1)Nc1sccc1-c1nnn[n-]1 ZINC000823018514 607117242 /nfs/dbraw/zinc/11/72/42/607117242.db2.gz QDGULFROQYTIDK-UHFFFAOYSA-N -1 3 387.381 0.235 20 0 GCADHM O=C(COC(=O)CNC(=O)c1cccnc1)Nc1sccc1-c1nn[n-]n1 ZINC000823018514 607117244 /nfs/dbraw/zinc/11/72/44/607117244.db2.gz QDGULFROQYTIDK-UHFFFAOYSA-N -1 3 387.381 0.235 20 0 GCADHM O=C(COC(=O)CNC(=O)c1cccnc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823018346 607117486 /nfs/dbraw/zinc/11/74/86/607117486.db2.gz LDSGLAQOIDHWCV-UHFFFAOYSA-N -1 3 381.352 0.173 20 0 GCADHM O=C(COC(=O)CNC(=O)c1cccnc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823018346 607117487 /nfs/dbraw/zinc/11/74/87/607117487.db2.gz LDSGLAQOIDHWCV-UHFFFAOYSA-N -1 3 381.352 0.173 20 0 GCADHM CC(C)[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(N)=O ZINC000820026103 607117729 /nfs/dbraw/zinc/11/77/29/607117729.db2.gz HRWRBSPUALGZGD-GFCCVEGCSA-N -1 3 390.400 0.787 20 0 GCADHM CC(C)[C@@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(N)=O ZINC000820026103 607117731 /nfs/dbraw/zinc/11/77/31/607117731.db2.gz HRWRBSPUALGZGD-GFCCVEGCSA-N -1 3 390.400 0.787 20 0 GCADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCNC1=O ZINC000820480022 607117791 /nfs/dbraw/zinc/11/77/91/607117791.db2.gz FFPSXLWISUQNOD-JTQLQIEISA-N -1 3 388.384 0.508 20 0 GCADHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCNC1=O ZINC000820480022 607117794 /nfs/dbraw/zinc/11/77/94/607117794.db2.gz FFPSXLWISUQNOD-JTQLQIEISA-N -1 3 388.384 0.508 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1cnn(-c2cccnc2)c1 ZINC000823202700 607118483 /nfs/dbraw/zinc/11/84/83/607118483.db2.gz ZMXRHOAWVGCCHI-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cnn(-c2cccnc2)c1 ZINC000823202700 607118485 /nfs/dbraw/zinc/11/84/85/607118485.db2.gz ZMXRHOAWVGCCHI-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCCCC1=O ZINC000820450132 607119139 /nfs/dbraw/zinc/11/91/39/607119139.db2.gz HGPSLTOKHIYHQN-IINYFYTJSA-N -1 3 393.425 0.588 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCCCC1=O ZINC000820450132 607119141 /nfs/dbraw/zinc/11/91/41/607119141.db2.gz HGPSLTOKHIYHQN-IINYFYTJSA-N -1 3 393.425 0.588 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820861773 607120407 /nfs/dbraw/zinc/12/04/07/607120407.db2.gz NNOWYIXHDNUVFX-QWRGUYRKSA-N -1 3 395.441 0.692 20 0 GCADHM CC[C@H](C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820861773 607120408 /nfs/dbraw/zinc/12/04/08/607120408.db2.gz NNOWYIXHDNUVFX-QWRGUYRKSA-N -1 3 395.441 0.692 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[Si](C)(C)C ZINC000820449713 607120766 /nfs/dbraw/zinc/12/07/66/607120766.db2.gz BFBIRCQNCGZAJL-JTQLQIEISA-N -1 3 383.506 0.954 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[Si](C)(C)C ZINC000820449713 607120767 /nfs/dbraw/zinc/12/07/67/607120767.db2.gz BFBIRCQNCGZAJL-JTQLQIEISA-N -1 3 383.506 0.954 20 0 GCADHM Cc1cnc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822395056 607121201 /nfs/dbraw/zinc/12/12/01/607121201.db2.gz QFRNRYTWAMGMOB-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cnc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822395056 607121203 /nfs/dbraw/zinc/12/12/03/607121203.db2.gz QFRNRYTWAMGMOB-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM O=S(=O)(CCN1CCSC[C@H]1CCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562278 607121305 /nfs/dbraw/zinc/12/13/05/607121305.db2.gz QIIJZFUEADANDD-CYBMUJFWSA-N -1 3 383.499 0.440 20 0 GCADHM O=S(=O)(CCN1CCSC[C@H]1CCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562278 607121307 /nfs/dbraw/zinc/12/13/07/607121307.db2.gz QIIJZFUEADANDD-CYBMUJFWSA-N -1 3 383.499 0.440 20 0 GCADHM Cc1cc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)on1 ZINC000822200918 607121406 /nfs/dbraw/zinc/12/14/06/607121406.db2.gz IQYCTNRJKOWLQX-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)on1 ZINC000822200918 607121408 /nfs/dbraw/zinc/12/14/08/607121408.db2.gz IQYCTNRJKOWLQX-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM C[C@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820231649 607124004 /nfs/dbraw/zinc/12/40/04/607124004.db2.gz CRXRMGZYESVOIS-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820231649 607124005 /nfs/dbraw/zinc/12/40/05/607124005.db2.gz CRXRMGZYESVOIS-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000821104584 607124725 /nfs/dbraw/zinc/12/47/25/607124725.db2.gz JFMUFZYXKOFKLS-CABCVRRESA-N -1 3 387.444 0.821 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000821104584 607124727 /nfs/dbraw/zinc/12/47/27/607124727.db2.gz JFMUFZYXKOFKLS-CABCVRRESA-N -1 3 387.444 0.821 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000821104586 607124845 /nfs/dbraw/zinc/12/48/45/607124845.db2.gz JFMUFZYXKOFKLS-HUUCEWRRSA-N -1 3 387.444 0.821 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000821104586 607124848 /nfs/dbraw/zinc/12/48/48/607124848.db2.gz JFMUFZYXKOFKLS-HUUCEWRRSA-N -1 3 387.444 0.821 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1ncccc1[O-] ZINC000820445878 607127208 /nfs/dbraw/zinc/12/72/08/607127208.db2.gz RIHPSLNZOPNUNU-SECBINFHSA-N -1 3 389.397 0.273 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821139161 607128532 /nfs/dbraw/zinc/12/85/32/607128532.db2.gz QKKIEWLERYHPNH-CQSZACIVSA-N -1 3 386.460 0.789 20 0 GCADHM CCC[C@@H](NC(N)=O)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821139161 607128534 /nfs/dbraw/zinc/12/85/34/607128534.db2.gz QKKIEWLERYHPNH-CQSZACIVSA-N -1 3 386.460 0.789 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)O1 ZINC000822860302 607132653 /nfs/dbraw/zinc/13/26/53/607132653.db2.gz QXLCPWTZWXMZCL-LSDHHAIUSA-N -1 3 388.428 0.565 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)O1 ZINC000822860302 607132655 /nfs/dbraw/zinc/13/26/55/607132655.db2.gz QXLCPWTZWXMZCL-LSDHHAIUSA-N -1 3 388.428 0.565 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000821652509 607141046 /nfs/dbraw/zinc/14/10/46/607141046.db2.gz UNAJFLZWPVUYOG-KRWDZBQOSA-N -1 3 375.385 0.666 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000821652509 607141048 /nfs/dbraw/zinc/14/10/48/607141048.db2.gz UNAJFLZWPVUYOG-KRWDZBQOSA-N -1 3 375.385 0.666 20 0 GCADHM Cc1cc(Oc2ncccc2-c2nnn[n-]2)ccc1NC(=O)C(=O)NCCO ZINC000822211476 607141240 /nfs/dbraw/zinc/14/12/40/607141240.db2.gz AICKKCLIJWUHRN-UHFFFAOYSA-N -1 3 383.368 0.409 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NC1CC=CC1 ZINC000822955335 607141843 /nfs/dbraw/zinc/14/18/43/607141843.db2.gz QMRZWDHVRSKXKZ-AWEZNQCLSA-N -1 3 381.396 0.907 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NC1CC=CC1 ZINC000822955335 607141845 /nfs/dbraw/zinc/14/18/45/607141845.db2.gz QMRZWDHVRSKXKZ-AWEZNQCLSA-N -1 3 381.396 0.907 20 0 GCADHM O=C(NCCO)C(=O)Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823206211 607141920 /nfs/dbraw/zinc/14/19/20/607141920.db2.gz OJNPDRYTUNKUNM-UHFFFAOYSA-N -1 3 382.380 0.493 20 0 GCADHM O=C(NCCO)C(=O)Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823206211 607141921 /nfs/dbraw/zinc/14/19/21/607141921.db2.gz OJNPDRYTUNKUNM-UHFFFAOYSA-N -1 3 382.380 0.493 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000821651790 607142211 /nfs/dbraw/zinc/14/22/11/607142211.db2.gz GHGCLUPZJKOOCT-MRXNPFEDSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000821651790 607142212 /nfs/dbraw/zinc/14/22/12/607142212.db2.gz GHGCLUPZJKOOCT-MRXNPFEDSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821651571 607142367 /nfs/dbraw/zinc/14/23/67/607142367.db2.gz BUTRIQPHDGUXOF-INIZCTEOSA-N -1 3 376.348 0.356 20 0 GCADHM COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821651571 607142370 /nfs/dbraw/zinc/14/23/70/607142370.db2.gz BUTRIQPHDGUXOF-INIZCTEOSA-N -1 3 376.348 0.356 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)O1 ZINC000822860313 607145614 /nfs/dbraw/zinc/14/56/14/607145614.db2.gz RFSAGCHWEVSLSF-GJZGRUSLSA-N -1 3 385.428 0.574 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)O1 ZINC000822860313 607145615 /nfs/dbraw/zinc/14/56/15/607145615.db2.gz RFSAGCHWEVSLSF-GJZGRUSLSA-N -1 3 385.428 0.574 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCS[C@H]2COCC[C@@H]21 ZINC000823601300 607146507 /nfs/dbraw/zinc/14/65/07/607146507.db2.gz ZLLHGLRIAQPETK-STQMWFEESA-N -1 3 385.446 0.901 20 0 GCADHM COc1coc(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)cc1=O ZINC000821911451 607157173 /nfs/dbraw/zinc/15/71/73/607157173.db2.gz SSMKRTCAJOZBFO-SFHVURJKSA-N -1 3 396.363 0.796 20 0 GCADHM COc1coc(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)cc1=O ZINC000821911451 607157174 /nfs/dbraw/zinc/15/71/74/607157174.db2.gz SSMKRTCAJOZBFO-SFHVURJKSA-N -1 3 396.363 0.796 20 0 GCADHM CC(=O)c1cn(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(=O)n(C)c1=O ZINC000819844642 607158044 /nfs/dbraw/zinc/15/80/44/607158044.db2.gz JZFWYBBQFDSKBY-UHFFFAOYSA-N -1 3 394.351 0.028 20 0 GCADHM CC(=O)c1cn(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c(=O)n(C)c1=O ZINC000819844642 607158046 /nfs/dbraw/zinc/15/80/46/607158046.db2.gz JZFWYBBQFDSKBY-UHFFFAOYSA-N -1 3 394.351 0.028 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCn1cc(C(C)=O)c(=O)n(C)c1=O ZINC000821702008 607158503 /nfs/dbraw/zinc/15/85/03/607158503.db2.gz DOBWLYVFMSHDLX-UHFFFAOYSA-N -1 3 386.368 0.017 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCn1cc(C(C)=O)c(=O)n(C)c1=O ZINC000821702008 607158505 /nfs/dbraw/zinc/15/85/05/607158505.db2.gz DOBWLYVFMSHDLX-UHFFFAOYSA-N -1 3 386.368 0.017 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](O)C(C)(C)C ZINC000820438841 607159181 /nfs/dbraw/zinc/15/91/81/607159181.db2.gz XUFHRMMWBFYKQH-GXFFZTMASA-N -1 3 396.473 0.057 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](O)C(C)(C)C ZINC000820438841 607159183 /nfs/dbraw/zinc/15/91/83/607159183.db2.gz XUFHRMMWBFYKQH-GXFFZTMASA-N -1 3 396.473 0.057 20 0 GCADHM COc1ccc(CCNC(=O)Cn2nc(C)c(-c3nnn[n-]3)c2N)cc1OC ZINC000821790229 607159405 /nfs/dbraw/zinc/15/94/05/607159405.db2.gz KFDFEDBKOQKIBK-UHFFFAOYSA-N -1 3 386.416 0.330 20 0 GCADHM COc1ccc(CCNC(=O)Cn2nc(C)c(-c3nn[n-]n3)c2N)cc1OC ZINC000821790229 607159406 /nfs/dbraw/zinc/15/94/06/607159406.db2.gz KFDFEDBKOQKIBK-UHFFFAOYSA-N -1 3 386.416 0.330 20 0 GCADHM Cc1nn(CC(=O)Nc2ccccc2N2CCCC2=O)c(N)c1-c1nnn[n-]1 ZINC000822500810 607160362 /nfs/dbraw/zinc/16/03/62/607160362.db2.gz IACZMWQFENCCIL-UHFFFAOYSA-N -1 3 381.400 0.719 20 0 GCADHM Cc1nn(CC(=O)Nc2ccccc2N2CCCC2=O)c(N)c1-c1nn[n-]n1 ZINC000822500810 607160364 /nfs/dbraw/zinc/16/03/64/607160364.db2.gz IACZMWQFENCCIL-UHFFFAOYSA-N -1 3 381.400 0.719 20 0 GCADHM CC(C)n1ncc2c1ncn(CC(=O)Nc1ccc(-c3nnn[n-]3)cc1)c2=O ZINC000820214757 607169582 /nfs/dbraw/zinc/16/95/82/607169582.db2.gz NTXWCGFAMXTHOM-UHFFFAOYSA-N -1 3 379.384 0.993 20 0 GCADHM CC(C)n1ncc2c1ncn(CC(=O)Nc1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000820214757 607169583 /nfs/dbraw/zinc/16/95/83/607169583.db2.gz NTXWCGFAMXTHOM-UHFFFAOYSA-N -1 3 379.384 0.993 20 0 GCADHM Cc1nc(N(C)C)nc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC000822449952 607173178 /nfs/dbraw/zinc/17/31/78/607173178.db2.gz WMCFIFMIRBZQJC-UHFFFAOYSA-N -1 3 384.423 0.892 20 0 GCADHM Cc1nc(N(C)C)nc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC000822449952 607173179 /nfs/dbraw/zinc/17/31/79/607173179.db2.gz WMCFIFMIRBZQJC-UHFFFAOYSA-N -1 3 384.423 0.892 20 0 GCADHM COCCC1(CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC1 ZINC000821686310 607173658 /nfs/dbraw/zinc/17/36/58/607173658.db2.gz JUHXQTPVESSCNJ-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM COCCC1(CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC1 ZINC000821686310 607173659 /nfs/dbraw/zinc/17/36/59/607173659.db2.gz JUHXQTPVESSCNJ-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCN4C(=O)C(=O)NC[C@@H]4C3)c2c1 ZINC000822195625 607174039 /nfs/dbraw/zinc/17/40/39/607174039.db2.gz YRFQCVQJYMVOSL-GFCCVEGCSA-N -1 3 392.423 0.179 20 0 GCADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCN4C(=O)C(=O)NC[C@@H]4C3)c2c1 ZINC000822195625 607174040 /nfs/dbraw/zinc/17/40/40/607174040.db2.gz YRFQCVQJYMVOSL-GFCCVEGCSA-N -1 3 392.423 0.179 20 0 GCADHM CN(Cc1nc(-c2cccnc2)no1)[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821617059 607176240 /nfs/dbraw/zinc/17/62/40/607176240.db2.gz UXJSKTGLQVTMPV-HNNXBMFYSA-N -1 3 391.395 0.970 20 0 GCADHM CN(Cc1nc(-c2cccnc2)no1)[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821617059 607176241 /nfs/dbraw/zinc/17/62/41/607176241.db2.gz UXJSKTGLQVTMPV-HNNXBMFYSA-N -1 3 391.395 0.970 20 0 GCADHM CC[C@H]1CN(CC(=O)Nc2sccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820994831 607177430 /nfs/dbraw/zinc/17/74/30/607177430.db2.gz LBSXDMMHBDZOEL-JSGCOSHPSA-N -1 3 391.501 0.909 20 0 GCADHM CN(C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000821568135 607179917 /nfs/dbraw/zinc/17/99/17/607179917.db2.gz IRSCPMOAWFFXSG-VIFPVBQESA-N -1 3 398.832 0.104 20 0 GCADHM CN(C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000821568135 607179918 /nfs/dbraw/zinc/17/99/18/607179918.db2.gz IRSCPMOAWFFXSG-VIFPVBQESA-N -1 3 398.832 0.104 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000819804656 607180469 /nfs/dbraw/zinc/18/04/69/607180469.db2.gz YBXZNMSGRLBCDL-LLVKDONJSA-N -1 3 391.819 0.586 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000819804656 607180470 /nfs/dbraw/zinc/18/04/70/607180470.db2.gz YBXZNMSGRLBCDL-LLVKDONJSA-N -1 3 391.819 0.586 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820876405 607180790 /nfs/dbraw/zinc/18/07/90/607180790.db2.gz PZLVFJVNYNCYHP-BDAKNGLRSA-N -1 3 393.835 0.878 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820876405 607180791 /nfs/dbraw/zinc/18/07/91/607180791.db2.gz PZLVFJVNYNCYHP-BDAKNGLRSA-N -1 3 393.835 0.878 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821656215 607180895 /nfs/dbraw/zinc/18/08/95/607180895.db2.gz ZWZZQMFKWCBNLI-SECBINFHSA-N -1 3 378.776 0.480 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821656215 607180896 /nfs/dbraw/zinc/18/08/96/607180896.db2.gz ZWZZQMFKWCBNLI-SECBINFHSA-N -1 3 378.776 0.480 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@@H]1CCCCNC1=O ZINC000823314527 607181168 /nfs/dbraw/zinc/18/11/68/607181168.db2.gz PHDBFEFJBXYYSI-LLVKDONJSA-N -1 3 377.792 0.244 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@@H]1CCCCNC1=O ZINC000823314527 607181169 /nfs/dbraw/zinc/18/11/69/607181169.db2.gz PHDBFEFJBXYYSI-LLVKDONJSA-N -1 3 377.792 0.244 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820295127 607181644 /nfs/dbraw/zinc/18/16/44/607181644.db2.gz YSKLAEWBTCYXDO-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820295127 607181645 /nfs/dbraw/zinc/18/16/45/607181645.db2.gz YSKLAEWBTCYXDO-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM Cc1nnc2n1CCN(C(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1Cl)C2 ZINC000822516393 607181959 /nfs/dbraw/zinc/18/19/59/607181959.db2.gz YDDGBQVBICXUQL-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM Cc1nnc2n1CCN(C(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1Cl)C2 ZINC000822516393 607181960 /nfs/dbraw/zinc/18/19/60/607181960.db2.gz YDDGBQVBICXUQL-UHFFFAOYSA-N -1 3 387.791 0.401 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820643204 607182343 /nfs/dbraw/zinc/18/23/43/607182343.db2.gz RTCXXOJZADYJBY-IBZIYZMPSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820643204 607182344 /nfs/dbraw/zinc/18/23/44/607182344.db2.gz RTCXXOJZADYJBY-IBZIYZMPSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCS1(=O)=O ZINC000820735337 607182525 /nfs/dbraw/zinc/18/25/25/607182525.db2.gz RJISAAUHNRQHEP-QMMMGPOBSA-N -1 3 398.832 0.104 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCS1(=O)=O ZINC000820735337 607182526 /nfs/dbraw/zinc/18/25/26/607182526.db2.gz RJISAAUHNRQHEP-QMMMGPOBSA-N -1 3 398.832 0.104 20 0 GCADHM CN1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCC1=O ZINC000821620797 607182574 /nfs/dbraw/zinc/18/25/74/607182574.db2.gz WEYWGERRJZSPHY-SECBINFHSA-N -1 3 377.792 0.196 20 0 GCADHM CN1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCC1=O ZINC000821620797 607182575 /nfs/dbraw/zinc/18/25/75/607182575.db2.gz WEYWGERRJZSPHY-SECBINFHSA-N -1 3 377.792 0.196 20 0 GCADHM COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821654186 607183367 /nfs/dbraw/zinc/18/33/67/607183367.db2.gz WLLURVWZYXEFLC-HNNXBMFYSA-N -1 3 396.766 0.572 20 0 GCADHM COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821654186 607183368 /nfs/dbraw/zinc/18/33/68/607183368.db2.gz WLLURVWZYXEFLC-HNNXBMFYSA-N -1 3 396.766 0.572 20 0 GCADHM O=C(NC[C@@]1(O)CCSC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823170936 607183571 /nfs/dbraw/zinc/18/35/71/607183571.db2.gz MDRCIADGIBXULZ-AWEZNQCLSA-N -1 3 382.833 0.443 20 0 GCADHM O=C(NC[C@@]1(O)CCSC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823170936 607183572 /nfs/dbraw/zinc/18/35/72/607183572.db2.gz MDRCIADGIBXULZ-AWEZNQCLSA-N -1 3 382.833 0.443 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000823314588 607184182 /nfs/dbraw/zinc/18/41/82/607184182.db2.gz RGZIQIVQZIDQAA-JTQLQIEISA-N -1 3 386.803 0.855 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CC[C@H](CO)CC2)cc1 ZINC000822904415 607186283 /nfs/dbraw/zinc/18/62/83/607186283.db2.gz YJSJOBJGOIYMFI-AULYBMBSSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CC[C@H](CO)CC2)cc1 ZINC000822904415 607186284 /nfs/dbraw/zinc/18/62/84/607186284.db2.gz YJSJOBJGOIYMFI-AULYBMBSSA-N -1 3 382.428 0.916 20 0 GCADHM CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821948580 607187099 /nfs/dbraw/zinc/18/70/99/607187099.db2.gz CVKQZGWFMVJYNR-NOZJJQNGSA-N -1 3 388.457 0.477 20 0 GCADHM CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821948580 607187100 /nfs/dbraw/zinc/18/71/00/607187100.db2.gz CVKQZGWFMVJYNR-NOZJJQNGSA-N -1 3 388.457 0.477 20 0 GCADHM CN(CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)S(C)(=O)=O ZINC000821598966 607195945 /nfs/dbraw/zinc/19/59/45/607195945.db2.gz ALKMUQLZQKVWNT-UHFFFAOYSA-N -1 3 387.853 0.923 20 0 GCADHM CN(CCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)S(C)(=O)=O ZINC000821598966 607195946 /nfs/dbraw/zinc/19/59/46/607195946.db2.gz ALKMUQLZQKVWNT-UHFFFAOYSA-N -1 3 387.853 0.923 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000819810265 607200656 /nfs/dbraw/zinc/20/06/56/607200656.db2.gz DMOIUWXQIVSNBO-LLVKDONJSA-N -1 3 379.808 0.889 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000819810265 607200657 /nfs/dbraw/zinc/20/06/57/607200657.db2.gz DMOIUWXQIVSNBO-LLVKDONJSA-N -1 3 379.808 0.889 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820137592 607203003 /nfs/dbraw/zinc/20/30/03/607203003.db2.gz LFXQPPBBONALLW-UHFFFAOYSA-N -1 3 387.853 0.969 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820137592 607203004 /nfs/dbraw/zinc/20/30/04/607203004.db2.gz LFXQPPBBONALLW-UHFFFAOYSA-N -1 3 387.853 0.969 20 0 GCADHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000822206816 607205232 /nfs/dbraw/zinc/20/52/32/607205232.db2.gz AEOVHGDLAVWLBG-UHFFFAOYSA-N -1 3 382.432 0.157 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000823536107 607205399 /nfs/dbraw/zinc/20/53/99/607205399.db2.gz RRQPSDNRLQYXNT-STQMWFEESA-N -1 3 385.432 0.126 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000823536107 607205400 /nfs/dbraw/zinc/20/54/00/607205400.db2.gz RRQPSDNRLQYXNT-STQMWFEESA-N -1 3 385.432 0.126 20 0 GCADHM CC(C)(CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)N1CCc2ccccc2C1 ZINC000819980264 607206988 /nfs/dbraw/zinc/20/69/88/607206988.db2.gz BFKINNWNBSYHHF-UHFFFAOYSA-N -1 3 381.444 0.411 20 0 GCADHM NC(=O)NC(=O)C1CCC(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000822873821 607217871 /nfs/dbraw/zinc/21/78/71/607217871.db2.gz LOYXSYTXDQNELA-UHFFFAOYSA-N -1 3 393.354 0.628 20 0 GCADHM NC(=O)NC(=O)C1CCC(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000822873821 607217872 /nfs/dbraw/zinc/21/78/72/607217872.db2.gz LOYXSYTXDQNELA-UHFFFAOYSA-N -1 3 393.354 0.628 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000822215240 607226751 /nfs/dbraw/zinc/22/67/51/607226751.db2.gz SBWYBRAMPYVUDE-INIZCTEOSA-N -1 3 378.440 0.919 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000822215240 607226752 /nfs/dbraw/zinc/22/67/52/607226752.db2.gz SBWYBRAMPYVUDE-INIZCTEOSA-N -1 3 378.440 0.919 20 0 GCADHM NC(=O)Cc1ccccc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822873771 607231005 /nfs/dbraw/zinc/23/10/05/607231005.db2.gz INFZOKBTQKVZSH-UHFFFAOYSA-N -1 3 377.357 0.801 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000820526712 607234829 /nfs/dbraw/zinc/23/48/29/607234829.db2.gz JPAUDCLUTRPRPG-DGCLKSJQSA-N -1 3 394.457 0.304 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000820526714 607235071 /nfs/dbraw/zinc/23/50/71/607235071.db2.gz JPAUDCLUTRPRPG-WCQYABFASA-N -1 3 394.457 0.304 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819868562 607236119 /nfs/dbraw/zinc/23/61/19/607236119.db2.gz ZUZWQNGSODNIMH-PSASIEDQSA-N -1 3 399.864 0.210 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819868562 607236120 /nfs/dbraw/zinc/23/61/20/607236120.db2.gz ZUZWQNGSODNIMH-PSASIEDQSA-N -1 3 399.864 0.210 20 0 GCADHM C[C@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819857659 607238023 /nfs/dbraw/zinc/23/80/23/607238023.db2.gz TXQMRDNDQIUACS-SNVBAGLBSA-N -1 3 397.432 0.951 20 0 GCADHM C[C@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819857659 607238024 /nfs/dbraw/zinc/23/80/24/607238024.db2.gz TXQMRDNDQIUACS-SNVBAGLBSA-N -1 3 397.432 0.951 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)S(=O)(=O)C1CCOCC1 ZINC000819866239 607238483 /nfs/dbraw/zinc/23/84/83/607238483.db2.gz LISYJVCUQRGCAT-VIFPVBQESA-N -1 3 383.405 0.927 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)S(=O)(=O)C1CCOCC1 ZINC000819866239 607238484 /nfs/dbraw/zinc/23/84/84/607238484.db2.gz LISYJVCUQRGCAT-VIFPVBQESA-N -1 3 383.405 0.927 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)N1CCC[C@H](O)C1 ZINC000826459744 607772571 /nfs/dbraw/zinc/77/25/71/607772571.db2.gz XSWBVKNMIOGSAI-LBPRGKRZSA-N -1 3 399.436 0.912 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)N1CCC[C@H](O)C1 ZINC000826459744 607772572 /nfs/dbraw/zinc/77/25/72/607772572.db2.gz XSWBVKNMIOGSAI-LBPRGKRZSA-N -1 3 399.436 0.912 20 0 GCADHM CN(C)c1ncc(NC(=O)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825958330 607773047 /nfs/dbraw/zinc/77/30/47/607773047.db2.gz RXHRXXDZUQBIIV-UHFFFAOYSA-N -1 3 381.400 0.320 20 0 GCADHM CN(C)c1ncc(NC(=O)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825958330 607773048 /nfs/dbraw/zinc/77/30/48/607773048.db2.gz RXHRXXDZUQBIIV-UHFFFAOYSA-N -1 3 381.400 0.320 20 0 GCADHM C[C@@H](CCO)NC(=O)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824406069 607773412 /nfs/dbraw/zinc/77/34/12/607773412.db2.gz CCJMGJNHNBCPJG-VIFPVBQESA-N -1 3 387.425 0.816 20 0 GCADHM C[C@@H](CCO)NC(=O)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824406069 607773413 /nfs/dbraw/zinc/77/34/13/607773413.db2.gz CCJMGJNHNBCPJG-VIFPVBQESA-N -1 3 387.425 0.816 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C2CC2)CC1 ZINC000824640628 607773496 /nfs/dbraw/zinc/77/34/96/607773496.db2.gz MPABLBLNUUZEEY-LLVKDONJSA-N -1 3 390.469 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C2CC2)CC1 ZINC000824640628 607773497 /nfs/dbraw/zinc/77/34/97/607773497.db2.gz MPABLBLNUUZEEY-LLVKDONJSA-N -1 3 390.469 0.840 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)N[C@@H](CO)C1CC1 ZINC000826459421 607773977 /nfs/dbraw/zinc/77/39/77/607773977.db2.gz IVZDNLJSIPCWHL-LBPRGKRZSA-N -1 3 399.436 0.816 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)N[C@@H](CO)C1CC1 ZINC000826459421 607773978 /nfs/dbraw/zinc/77/39/78/607773978.db2.gz IVZDNLJSIPCWHL-LBPRGKRZSA-N -1 3 399.436 0.816 20 0 GCADHM O=C(NCC1(O)CCC1)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826433341 607774001 /nfs/dbraw/zinc/77/40/01/607774001.db2.gz CBEKIGODFGBAOW-UHFFFAOYSA-N -1 3 399.436 0.960 20 0 GCADHM O=C(NCC1(O)CCC1)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826433341 607774002 /nfs/dbraw/zinc/77/40/02/607774002.db2.gz CBEKIGODFGBAOW-UHFFFAOYSA-N -1 3 399.436 0.960 20 0 GCADHM O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826434500 607776145 /nfs/dbraw/zinc/77/61/45/607776145.db2.gz ONZWUYGFEOWKBE-LJQANCHMSA-N -1 3 396.382 0.895 20 0 GCADHM O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826434500 607776146 /nfs/dbraw/zinc/77/61/46/607776146.db2.gz ONZWUYGFEOWKBE-LJQANCHMSA-N -1 3 396.382 0.895 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)N[C@@H]1CCOC1 ZINC000826459382 607776229 /nfs/dbraw/zinc/77/62/29/607776229.db2.gz HRYSRCBPYCSQOF-LLVKDONJSA-N -1 3 385.409 0.834 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)N[C@@H]1CCOC1 ZINC000826459382 607776230 /nfs/dbraw/zinc/77/62/30/607776230.db2.gz HRYSRCBPYCSQOF-LLVKDONJSA-N -1 3 385.409 0.834 20 0 GCADHM CC(=O)N1CC[C@@H](NC(=O)NCCNc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC000823972404 607781327 /nfs/dbraw/zinc/78/13/27/607781327.db2.gz AJTJQHCKRWBNKG-BXUZGUMPSA-N -1 3 387.448 0.230 20 0 GCADHM CC(=O)N1CC[C@@H](NC(=O)NCCNc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC000823972404 607781328 /nfs/dbraw/zinc/78/13/28/607781328.db2.gz AJTJQHCKRWBNKG-BXUZGUMPSA-N -1 3 387.448 0.230 20 0 GCADHM CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)NC(=O)NC)cc1-c1nnn[n-]1 ZINC000825544600 607784506 /nfs/dbraw/zinc/78/45/06/607784506.db2.gz FGBLICDYDFMRGN-QMMMGPOBSA-N -1 3 376.377 0.691 20 0 GCADHM CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)NC(=O)NC)cc1-c1nn[n-]n1 ZINC000825544600 607784507 /nfs/dbraw/zinc/78/45/07/607784507.db2.gz FGBLICDYDFMRGN-QMMMGPOBSA-N -1 3 376.377 0.691 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nn1cc(Br)cn1 ZINC000826175168 607792398 /nfs/dbraw/zinc/79/23/98/607792398.db2.gz VWVGJVFAWKXVBM-UHFFFAOYSA-N -1 3 394.189 0.983 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nn1cc(Br)cn1 ZINC000826175168 607792399 /nfs/dbraw/zinc/79/23/99/607792399.db2.gz VWVGJVFAWKXVBM-UHFFFAOYSA-N -1 3 394.189 0.983 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826223656 607793204 /nfs/dbraw/zinc/79/32/04/607793204.db2.gz VEBYZEHCNZCYRX-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826223656 607793205 /nfs/dbraw/zinc/79/32/05/607793205.db2.gz VEBYZEHCNZCYRX-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000825971386 607793816 /nfs/dbraw/zinc/79/38/16/607793816.db2.gz DQJOTQLFIBIOMI-CYBMUJFWSA-N -1 3 393.473 0.290 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000825971386 607793817 /nfs/dbraw/zinc/79/38/17/607793817.db2.gz DQJOTQLFIBIOMI-CYBMUJFWSA-N -1 3 393.473 0.290 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000825957568 607794753 /nfs/dbraw/zinc/79/47/53/607794753.db2.gz CJFFFOPDCNZKOE-CQSZACIVSA-N -1 3 393.473 0.432 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000825957568 607794754 /nfs/dbraw/zinc/79/47/54/607794754.db2.gz CJFFFOPDCNZKOE-CQSZACIVSA-N -1 3 393.473 0.432 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000824744323 607795135 /nfs/dbraw/zinc/79/51/35/607795135.db2.gz AIEJKGKWEGGSQE-NWDGAFQWSA-N -1 3 394.457 0.174 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000824744323 607795136 /nfs/dbraw/zinc/79/51/36/607795136.db2.gz AIEJKGKWEGGSQE-NWDGAFQWSA-N -1 3 394.457 0.174 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000824738266 607795209 /nfs/dbraw/zinc/79/52/09/607795209.db2.gz ODUHHTKLYKWUPG-WCQYABFASA-N -1 3 394.457 0.174 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826438325 607795285 /nfs/dbraw/zinc/79/52/85/607795285.db2.gz YFMRVHCDZZTILP-ZDUSSCGKSA-N -1 3 394.443 0.647 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826438325 607795286 /nfs/dbraw/zinc/79/52/86/607795286.db2.gz YFMRVHCDZZTILP-ZDUSSCGKSA-N -1 3 394.443 0.647 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000825424595 607801321 /nfs/dbraw/zinc/80/13/21/607801321.db2.gz LFDLKJPJCPJMHC-LLVKDONJSA-N -1 3 384.487 0.400 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000825424595 607801322 /nfs/dbraw/zinc/80/13/22/607801322.db2.gz LFDLKJPJCPJMHC-LLVKDONJSA-N -1 3 384.487 0.400 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000824745214 607801354 /nfs/dbraw/zinc/80/13/54/607801354.db2.gz OWRJQFISDPPXTK-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000824745214 607801355 /nfs/dbraw/zinc/80/13/55/607801355.db2.gz OWRJQFISDPPXTK-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@H](C)C(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000825424782 607801391 /nfs/dbraw/zinc/80/13/91/607801391.db2.gz QKTABDWHXUNINM-SNVBAGLBSA-N -1 3 384.462 0.770 20 0 GCADHM CCN(CCS(C)(=O)=O)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825424906 607801411 /nfs/dbraw/zinc/80/14/11/607801411.db2.gz SEPKCHHRFNPIIF-UHFFFAOYSA-N -1 3 386.865 0.825 20 0 GCADHM CCN(CCS(C)(=O)=O)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825424906 607801412 /nfs/dbraw/zinc/80/14/12/607801412.db2.gz SEPKCHHRFNPIIF-UHFFFAOYSA-N -1 3 386.865 0.825 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000824728775 607801783 /nfs/dbraw/zinc/80/17/83/607801783.db2.gz HDHKDGPVIIOBEJ-LBPRGKRZSA-N -1 3 381.458 0.916 20 0 GCADHM CS(=O)(=O)CCN(CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826222710 607802280 /nfs/dbraw/zinc/80/22/80/607802280.db2.gz IVTAOQPIUKSFFC-UHFFFAOYSA-N -1 3 378.458 0.704 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000826186558 607803233 /nfs/dbraw/zinc/80/32/33/607803233.db2.gz ZBZWDFRFDPWXRR-LLVKDONJSA-N -1 3 395.445 0.421 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000826186558 607803234 /nfs/dbraw/zinc/80/32/34/607803234.db2.gz ZBZWDFRFDPWXRR-LLVKDONJSA-N -1 3 395.445 0.421 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000826186244 607803251 /nfs/dbraw/zinc/80/32/51/607803251.db2.gz KRHKQDSQXRLPNK-SNVBAGLBSA-N -1 3 395.445 0.278 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000826186244 607803252 /nfs/dbraw/zinc/80/32/52/607803252.db2.gz KRHKQDSQXRLPNK-SNVBAGLBSA-N -1 3 395.445 0.278 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826411897 607804072 /nfs/dbraw/zinc/80/40/72/607804072.db2.gz RMRDVWWTLALYLA-HNNXBMFYSA-N -1 3 392.423 0.387 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCN(c2ccccn2)C1 ZINC000826411897 607804073 /nfs/dbraw/zinc/80/40/73/607804073.db2.gz RMRDVWWTLALYLA-HNNXBMFYSA-N -1 3 392.423 0.387 20 0 GCADHM C[C@H](Oc1cccc(CO)c1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824737309 607804670 /nfs/dbraw/zinc/80/46/70/607804670.db2.gz DYEMXEJJQOHMDB-ZBEGNZNMSA-N -1 3 397.391 0.896 20 0 GCADHM C[C@H](Oc1cccc(CO)c1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824737309 607804671 /nfs/dbraw/zinc/80/46/71/607804671.db2.gz DYEMXEJJQOHMDB-ZBEGNZNMSA-N -1 3 397.391 0.896 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000826277367 607805468 /nfs/dbraw/zinc/80/54/68/607805468.db2.gz RXMNJIPBGBPIFU-AWEZNQCLSA-N -1 3 392.423 0.904 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826456211 607805931 /nfs/dbraw/zinc/80/59/31/607805931.db2.gz UTKTYEXYHUSMJE-CQSZACIVSA-N -1 3 378.396 0.595 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000826456211 607805932 /nfs/dbraw/zinc/80/59/32/607805932.db2.gz UTKTYEXYHUSMJE-CQSZACIVSA-N -1 3 378.396 0.595 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000826223725 607807141 /nfs/dbraw/zinc/80/71/41/607807141.db2.gz XUVQQIPFQWORNE-SNVBAGLBSA-N -1 3 381.487 0.577 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000826223725 607807142 /nfs/dbraw/zinc/80/71/42/607807142.db2.gz XUVQQIPFQWORNE-SNVBAGLBSA-N -1 3 381.487 0.577 20 0 GCADHM COc1ccc(CNC(=O)N(CCS(C)(=O)=O)C2CC2)cc1-c1nnn[n-]1 ZINC000826198036 607807158 /nfs/dbraw/zinc/80/71/58/607807158.db2.gz KCVIBUPBHFRSST-UHFFFAOYSA-N -1 3 394.457 0.594 20 0 GCADHM COc1ccc(CNC(=O)N(CCS(C)(=O)=O)C2CC2)cc1-c1nn[n-]n1 ZINC000826198036 607807159 /nfs/dbraw/zinc/80/71/59/607807159.db2.gz KCVIBUPBHFRSST-UHFFFAOYSA-N -1 3 394.457 0.594 20 0 GCADHM CC(=O)OC1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000824004662 607807524 /nfs/dbraw/zinc/80/75/24/607807524.db2.gz CDDDOQVSCANTIZ-UHFFFAOYSA-N -1 3 396.411 0.802 20 0 GCADHM CC(=O)OC1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000824004662 607807525 /nfs/dbraw/zinc/80/75/25/607807525.db2.gz CDDDOQVSCANTIZ-UHFFFAOYSA-N -1 3 396.411 0.802 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826223287 607807938 /nfs/dbraw/zinc/80/79/38/607807938.db2.gz HZLWTGLGIWYSGT-SECBINFHSA-N -1 3 385.837 0.069 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826223287 607807939 /nfs/dbraw/zinc/80/79/39/607807939.db2.gz HZLWTGLGIWYSGT-SECBINFHSA-N -1 3 385.837 0.069 20 0 GCADHM CCC(CC)(CO)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825089423 607808795 /nfs/dbraw/zinc/80/87/95/607808795.db2.gz FOIQLYNTUZIOHR-UHFFFAOYSA-N -1 3 395.485 0.696 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000824288605 607811507 /nfs/dbraw/zinc/81/15/07/607811507.db2.gz KQUKWPJHLWEWHE-UHFFFAOYSA-N -1 3 391.450 0.450 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000824288605 607811508 /nfs/dbraw/zinc/81/15/08/607811508.db2.gz KQUKWPJHLWEWHE-UHFFFAOYSA-N -1 3 391.450 0.450 20 0 GCADHM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826222949 607811889 /nfs/dbraw/zinc/81/18/89/607811889.db2.gz VBLXHVXPWNKFNP-UHFFFAOYSA-N -1 3 385.471 0.206 20 0 GCADHM CS(=O)(=O)CCN(C1CC1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826222949 607811890 /nfs/dbraw/zinc/81/18/90/607811890.db2.gz VBLXHVXPWNKFNP-UHFFFAOYSA-N -1 3 385.471 0.206 20 0 GCADHM CC(=O)N1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823980535 607814358 /nfs/dbraw/zinc/81/43/58/607814358.db2.gz FDEFPJMOHFRMMS-UHFFFAOYSA-N -1 3 378.458 0.195 20 0 GCADHM CC(=O)N1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823980535 607814359 /nfs/dbraw/zinc/81/43/59/607814359.db2.gz FDEFPJMOHFRMMS-UHFFFAOYSA-N -1 3 378.458 0.195 20 0 GCADHM CCC1(CC)NC(=O)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825172028 607814484 /nfs/dbraw/zinc/81/44/84/607814484.db2.gz ZIOAYUALWVBMJA-UHFFFAOYSA-N -1 3 392.441 0.751 20 0 GCADHM CCC1(CC)NC(=O)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825172028 607814485 /nfs/dbraw/zinc/81/44/85/607814485.db2.gz ZIOAYUALWVBMJA-UHFFFAOYSA-N -1 3 392.441 0.751 20 0 GCADHM C[C@@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000824707305 607814997 /nfs/dbraw/zinc/81/49/97/607814997.db2.gz POORBSFDUAWUCH-ZIAGYGMSSA-N -1 3 394.501 0.027 20 0 GCADHM C[C@@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000824707305 607814998 /nfs/dbraw/zinc/81/49/98/607814998.db2.gz POORBSFDUAWUCH-ZIAGYGMSSA-N -1 3 394.501 0.027 20 0 GCADHM CC(=O)N[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823989145 607815172 /nfs/dbraw/zinc/81/51/72/607815172.db2.gz NRBISCDGYOWSLP-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM CC(=O)N[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823989145 607815173 /nfs/dbraw/zinc/81/51/73/607815173.db2.gz NRBISCDGYOWSLP-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM CC(C)n1cnc(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000824377874 607817680 /nfs/dbraw/zinc/81/76/80/607817680.db2.gz QEMREWFAEDREAV-UHFFFAOYSA-N -1 3 377.434 0.430 20 0 GCADHM CC(C)n1cnc(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000824377874 607817681 /nfs/dbraw/zinc/81/76/81/607817681.db2.gz QEMREWFAEDREAV-UHFFFAOYSA-N -1 3 377.434 0.430 20 0 GCADHM C[C@@H]1COCCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C1 ZINC000825006851 607817858 /nfs/dbraw/zinc/81/78/58/607817858.db2.gz QVUQPIMXZGZJTJ-ZDUSSCGKSA-N -1 3 385.428 0.557 20 0 GCADHM C[C@@H]1COCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000825006851 607817859 /nfs/dbraw/zinc/81/78/59/607817859.db2.gz QVUQPIMXZGZJTJ-ZDUSSCGKSA-N -1 3 385.428 0.557 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826487111 607818875 /nfs/dbraw/zinc/81/88/75/607818875.db2.gz DHWKKGAMLFQZRR-GDBMZVCRSA-N -1 3 389.437 0.630 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826487111 607818876 /nfs/dbraw/zinc/81/88/76/607818876.db2.gz DHWKKGAMLFQZRR-GDBMZVCRSA-N -1 3 389.437 0.630 20 0 GCADHM CS(=O)(=O)N1CCC(CNC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826223478 607823415 /nfs/dbraw/zinc/82/34/15/607823415.db2.gz NXVFMLFJMIBBOR-UHFFFAOYSA-N -1 3 399.864 0.317 20 0 GCADHM CS(=O)(=O)N1CCC(CNC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826223478 607823416 /nfs/dbraw/zinc/82/34/16/607823416.db2.gz NXVFMLFJMIBBOR-UHFFFAOYSA-N -1 3 399.864 0.317 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826437924 607823497 /nfs/dbraw/zinc/82/34/97/607823497.db2.gz HPBUUSVYWNTKLR-IACUBPJLSA-N -1 3 384.444 0.930 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826437924 607823498 /nfs/dbraw/zinc/82/34/98/607823498.db2.gz HPBUUSVYWNTKLR-IACUBPJLSA-N -1 3 384.444 0.930 20 0 GCADHM C[C@H](OC(=O)[C@@H]1CCC(=O)O1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000824713131 607826199 /nfs/dbraw/zinc/82/61/99/607826199.db2.gz GYDIVFDBHVFFNB-CBAPKCEASA-N -1 3 391.409 0.993 20 0 GCADHM C[C@H](OC(=O)[C@@H]1CCC(=O)O1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000824713131 607826200 /nfs/dbraw/zinc/82/62/00/607826200.db2.gz GYDIVFDBHVFFNB-CBAPKCEASA-N -1 3 391.409 0.993 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826411570 607826853 /nfs/dbraw/zinc/82/68/53/607826853.db2.gz DTLFGCMLBIZPHS-FVQBIDKESA-N -1 3 382.424 0.670 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826411570 607826854 /nfs/dbraw/zinc/82/68/54/607826854.db2.gz DTLFGCMLBIZPHS-FVQBIDKESA-N -1 3 382.424 0.670 20 0 GCADHM CCC[C@@](C)(NCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000825232939 607828952 /nfs/dbraw/zinc/82/89/52/607828952.db2.gz LMIQJXLJQKNXQG-MRXNPFEDSA-N -1 3 381.458 0.962 20 0 GCADHM CCC[C@@](C)(NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000825232939 607828953 /nfs/dbraw/zinc/82/89/53/607828953.db2.gz LMIQJXLJQKNXQG-MRXNPFEDSA-N -1 3 381.458 0.962 20 0 GCADHM CN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C(C)(C)C1=O ZINC000826037732 607829622 /nfs/dbraw/zinc/82/96/22/607829622.db2.gz BRFGWJLKEWJIEJ-UHFFFAOYSA-N -1 3 378.458 0.193 20 0 GCADHM CN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C(C)(C)C1=O ZINC000826037732 607829623 /nfs/dbraw/zinc/82/96/23/607829623.db2.gz BRFGWJLKEWJIEJ-UHFFFAOYSA-N -1 3 378.458 0.193 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)Cc1nnc2n1CCC2 ZINC000825946318 607829807 /nfs/dbraw/zinc/82/98/07/607829807.db2.gz SGVZCDAAMPHNNT-UHFFFAOYSA-N -1 3 388.457 0.310 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)Cc1nnc2n1CCC2 ZINC000825946318 607829808 /nfs/dbraw/zinc/82/98/08/607829808.db2.gz SGVZCDAAMPHNNT-UHFFFAOYSA-N -1 3 388.457 0.310 20 0 GCADHM O=S(=O)(CCN1CCSC[C@@H]1CCO)c1cccc(-c2nnn[n-]2)c1 ZINC000826484775 607829938 /nfs/dbraw/zinc/82/99/38/607829938.db2.gz ONNSBEGPRDSQIL-ZDUSSCGKSA-N -1 3 383.499 0.440 20 0 GCADHM O=S(=O)(CCN1CCSC[C@@H]1CCO)c1cccc(-c2nn[n-]n2)c1 ZINC000826484775 607829939 /nfs/dbraw/zinc/82/99/39/607829939.db2.gz ONNSBEGPRDSQIL-ZDUSSCGKSA-N -1 3 383.499 0.440 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](CO)Cc1ccccc1 ZINC000826174557 607831988 /nfs/dbraw/zinc/83/19/88/607831988.db2.gz BKLLDPFAXWIIOW-OAHLLOKOSA-N -1 3 383.408 0.974 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](CO)Cc1ccccc1 ZINC000826174557 607831989 /nfs/dbraw/zinc/83/19/89/607831989.db2.gz BKLLDPFAXWIIOW-OAHLLOKOSA-N -1 3 383.408 0.974 20 0 GCADHM C[C@H]1COCCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000825006931 607832208 /nfs/dbraw/zinc/83/22/08/607832208.db2.gz SXKYPPDTRMCXQV-CYBMUJFWSA-N -1 3 382.428 0.959 20 0 GCADHM C[C@H]1COCCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000825006931 607832209 /nfs/dbraw/zinc/83/22/09/607832209.db2.gz SXKYPPDTRMCXQV-CYBMUJFWSA-N -1 3 382.428 0.959 20 0 GCADHM C[C@@H]1COCCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C1 ZINC000825006932 607832334 /nfs/dbraw/zinc/83/23/34/607832334.db2.gz SXKYPPDTRMCXQV-ZDUSSCGKSA-N -1 3 382.428 0.959 20 0 GCADHM C[C@@H]1COCCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000825006932 607832335 /nfs/dbraw/zinc/83/23/35/607832335.db2.gz SXKYPPDTRMCXQV-ZDUSSCGKSA-N -1 3 382.428 0.959 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000826184836 607835964 /nfs/dbraw/zinc/83/59/64/607835964.db2.gz MPIGHWQDLNUWNR-AWEZNQCLSA-N -1 3 390.444 0.973 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000826184836 607835965 /nfs/dbraw/zinc/83/59/65/607835965.db2.gz MPIGHWQDLNUWNR-AWEZNQCLSA-N -1 3 390.444 0.973 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826451931 607836114 /nfs/dbraw/zinc/83/61/14/607836114.db2.gz BTVDWNVVFBNARG-HZPDHXFCSA-N -1 3 396.407 0.406 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826451931 607836115 /nfs/dbraw/zinc/83/61/15/607836115.db2.gz BTVDWNVVFBNARG-HZPDHXFCSA-N -1 3 396.407 0.406 20 0 GCADHM COCC[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826154244 607836632 /nfs/dbraw/zinc/83/66/32/607836632.db2.gz LDUOBULRQFKWGN-QWRGUYRKSA-N -1 3 383.430 0.502 20 0 GCADHM COCC[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826154244 607836633 /nfs/dbraw/zinc/83/66/33/607836633.db2.gz LDUOBULRQFKWGN-QWRGUYRKSA-N -1 3 383.430 0.502 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826060111 607837431 /nfs/dbraw/zinc/83/74/31/607837431.db2.gz HFOJPOYWIHFPSS-CQSZACIVSA-N -1 3 399.459 0.151 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826060111 607837432 /nfs/dbraw/zinc/83/74/32/607837432.db2.gz HFOJPOYWIHFPSS-CQSZACIVSA-N -1 3 399.459 0.151 20 0 GCADHM O=S(=O)(c1ccc(F)cc1)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826495334 607838367 /nfs/dbraw/zinc/83/83/67/607838367.db2.gz LXDPJTJBPOMMMN-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1ccc(F)cc1)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826495334 607838368 /nfs/dbraw/zinc/83/83/68/607838368.db2.gz LXDPJTJBPOMMMN-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=c1cc(CN2CCN(c3cnccc3-c3nnn[n-]3)CC2)nc2sccn21 ZINC000826501907 607839216 /nfs/dbraw/zinc/83/92/16/607839216.db2.gz LSNNTTCSJJTFSL-UHFFFAOYSA-N -1 3 395.452 0.653 20 0 GCADHM O=c1cc(CN2CCN(c3cnccc3-c3nn[n-]n3)CC2)nc2sccn21 ZINC000826501907 607839217 /nfs/dbraw/zinc/83/92/17/607839217.db2.gz LSNNTTCSJJTFSL-UHFFFAOYSA-N -1 3 395.452 0.653 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@H](C3CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000826394278 607851242 /nfs/dbraw/zinc/85/12/42/607851242.db2.gz DTWQKBNMWYGYEX-LBPRGKRZSA-N -1 3 378.458 0.767 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@H](C3CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000826394278 607851243 /nfs/dbraw/zinc/85/12/43/607851243.db2.gz DTWQKBNMWYGYEX-LBPRGKRZSA-N -1 3 378.458 0.767 20 0 GCADHM Cc1ncc(S(=O)(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)s1 ZINC000826330079 607852238 /nfs/dbraw/zinc/85/22/38/607852238.db2.gz DPMNAYDPVVZRKW-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1ncc(S(=O)(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)s1 ZINC000826330079 607852239 /nfs/dbraw/zinc/85/22/39/607852239.db2.gz DPMNAYDPVVZRKW-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000825621651 607860514 /nfs/dbraw/zinc/86/05/14/607860514.db2.gz WJQBJHBNSSFUOP-OCCSQVGLSA-N -1 3 388.428 0.823 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000825621651 607860515 /nfs/dbraw/zinc/86/05/15/607860515.db2.gz WJQBJHBNSSFUOP-OCCSQVGLSA-N -1 3 388.428 0.823 20 0 GCADHM Cc1nc(SCC(=O)NC[C@]2(O)CCOC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327679 607862233 /nfs/dbraw/zinc/86/22/33/607862233.db2.gz QAZVPDDDFVDTNE-MRXNPFEDSA-N -1 3 378.458 0.547 20 0 GCADHM Cc1nc(SCC(=O)NC[C@]2(O)CCOC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327679 607862234 /nfs/dbraw/zinc/86/22/34/607862234.db2.gz QAZVPDDDFVDTNE-MRXNPFEDSA-N -1 3 378.458 0.547 20 0 GCADHM Cn1cc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c(C(F)F)n1 ZINC000826358215 607862481 /nfs/dbraw/zinc/86/24/81/607862481.db2.gz KOYGRXZYRIIQEJ-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM Cn1cc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c(C(F)F)n1 ZINC000826358215 607862482 /nfs/dbraw/zinc/86/24/82/607862482.db2.gz KOYGRXZYRIIQEJ-UHFFFAOYSA-N -1 3 389.370 0.895 20 0 GCADHM O=C(NC[C@@]1(O)CCOC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826434231 607862504 /nfs/dbraw/zinc/86/25/04/607862504.db2.gz HDRVTYBTVYWGQR-SFHVURJKSA-N -1 3 385.380 0.920 20 0 GCADHM O=C(NC[C@@]1(O)CCOC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826434231 607862505 /nfs/dbraw/zinc/86/25/05/607862505.db2.gz HDRVTYBTVYWGQR-SFHVURJKSA-N -1 3 385.380 0.920 20 0 GCADHM CN(C)C(=O)CCN1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000825841311 607866933 /nfs/dbraw/zinc/86/69/33/607866933.db2.gz VAGTUAWQLPRLHE-UHFFFAOYSA-N -1 3 392.851 0.151 20 0 GCADHM CN(C)C(=O)CCN1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000825841311 607866934 /nfs/dbraw/zinc/86/69/34/607866934.db2.gz VAGTUAWQLPRLHE-UHFFFAOYSA-N -1 3 392.851 0.151 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826391377 607876372 /nfs/dbraw/zinc/87/63/72/607876372.db2.gz IUECCPHQYZTAEK-OAHLLOKOSA-N -1 3 382.380 0.194 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826391377 607876373 /nfs/dbraw/zinc/87/63/73/607876373.db2.gz IUECCPHQYZTAEK-OAHLLOKOSA-N -1 3 382.380 0.194 20 0 GCADHM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826481731 607876486 /nfs/dbraw/zinc/87/64/86/607876486.db2.gz GYPIRAPIPRRCBY-CQSZACIVSA-N -1 3 378.348 0.836 20 0 GCADHM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826481731 607876487 /nfs/dbraw/zinc/87/64/87/607876487.db2.gz GYPIRAPIPRRCBY-CQSZACIVSA-N -1 3 378.348 0.836 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(CN(C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825176407 607889238 /nfs/dbraw/zinc/88/92/38/607889238.db2.gz SCEMHKQGMLVGGX-GOSISDBHSA-N -1 3 395.427 0.851 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](CO)Cc1ccco1 ZINC000826255633 607906278 /nfs/dbraw/zinc/90/62/78/607906278.db2.gz FBIHNBKJMSAOSR-GFCCVEGCSA-N -1 3 377.426 0.898 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](CO)Cc1ccco1 ZINC000826255633 607906279 /nfs/dbraw/zinc/90/62/79/607906279.db2.gz FBIHNBKJMSAOSR-GFCCVEGCSA-N -1 3 377.426 0.898 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825210626 607907044 /nfs/dbraw/zinc/90/70/44/607907044.db2.gz IPMRZQBDGZNGRJ-IUODEOHRSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825210626 607907045 /nfs/dbraw/zinc/90/70/45/607907045.db2.gz IPMRZQBDGZNGRJ-IUODEOHRSA-N -1 3 378.458 0.792 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826067191 607907768 /nfs/dbraw/zinc/90/77/68/607907768.db2.gz DPUFFCUVOLIQMT-LBPRGKRZSA-N -1 3 386.865 0.959 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826067191 607907769 /nfs/dbraw/zinc/90/77/69/607907769.db2.gz DPUFFCUVOLIQMT-LBPRGKRZSA-N -1 3 386.865 0.959 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)c1-c1nnn[n-]1 ZINC000826303306 607907837 /nfs/dbraw/zinc/90/78/37/607907837.db2.gz JNMOAVVZTUELCD-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)c1-c1nn[n-]n1 ZINC000826303306 607907838 /nfs/dbraw/zinc/90/78/38/607907838.db2.gz JNMOAVVZTUELCD-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM O=S(=O)(NCC1CCS(=O)(=O)CC1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826496634 607907892 /nfs/dbraw/zinc/90/78/92/607907892.db2.gz CDLYNAHNZWZXSA-UHFFFAOYSA-N -1 3 389.434 0.109 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000825035157 607915032 /nfs/dbraw/zinc/91/50/32/607915032.db2.gz WCMJFDHTHZRYSN-LLVKDONJSA-N -1 3 387.396 0.955 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)C1 ZINC000825035157 607915033 /nfs/dbraw/zinc/91/50/33/607915033.db2.gz WCMJFDHTHZRYSN-LLVKDONJSA-N -1 3 387.396 0.955 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825659604 607922347 /nfs/dbraw/zinc/92/23/47/607922347.db2.gz WHWPOMVGLUFRDC-NSHDSACASA-N -1 3 381.458 0.908 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825659604 607922348 /nfs/dbraw/zinc/92/23/48/607922348.db2.gz WHWPOMVGLUFRDC-NSHDSACASA-N -1 3 381.458 0.908 20 0 GCADHM CCOC(=O)[C@@H]1CN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CCO1 ZINC000825499270 607923569 /nfs/dbraw/zinc/92/35/69/607923569.db2.gz JHEZJVXNKKXPNK-ZDUSSCGKSA-N -1 3 375.385 0.417 20 0 GCADHM CCOC(=O)[C@@H]1CN(Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)CCO1 ZINC000825499270 607923570 /nfs/dbraw/zinc/92/35/70/607923570.db2.gz JHEZJVXNKKXPNK-ZDUSSCGKSA-N -1 3 375.385 0.417 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000826395836 607923826 /nfs/dbraw/zinc/92/38/26/607923826.db2.gz UVXYXRHWVKWJPA-JTQLQIEISA-N -1 3 376.402 0.810 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000826395836 607923827 /nfs/dbraw/zinc/92/38/27/607923827.db2.gz UVXYXRHWVKWJPA-JTQLQIEISA-N -1 3 376.402 0.810 20 0 GCADHM CS(=O)(=O)CC1(COC(=O)c2cc(-c3nnn[n-]3)cs2)CCOCC1 ZINC000826221899 607925756 /nfs/dbraw/zinc/92/57/56/607925756.db2.gz ADMONBSWRJPGCD-UHFFFAOYSA-N -1 3 386.455 0.926 20 0 GCADHM CS(=O)(=O)CC1(COC(=O)c2cc(-c3nn[n-]n3)cs2)CCOCC1 ZINC000826221899 607925757 /nfs/dbraw/zinc/92/57/57/607925757.db2.gz ADMONBSWRJPGCD-UHFFFAOYSA-N -1 3 386.455 0.926 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823981045 607926980 /nfs/dbraw/zinc/92/69/80/607926980.db2.gz KCDZDZMASBWQDB-OAHLLOKOSA-N -1 3 395.427 0.846 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823981045 607926981 /nfs/dbraw/zinc/92/69/81/607926981.db2.gz KCDZDZMASBWQDB-OAHLLOKOSA-N -1 3 395.427 0.846 20 0 GCADHM O=C(NCCc1cnc(C2CC2)nc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826440042 607928719 /nfs/dbraw/zinc/92/87/19/607928719.db2.gz WCXSBTTXPHPTJH-UHFFFAOYSA-N -1 3 396.386 0.971 20 0 GCADHM O=C(NCCc1cnc(C2CC2)nc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826440042 607928720 /nfs/dbraw/zinc/92/87/20/607928720.db2.gz WCXSBTTXPHPTJH-UHFFFAOYSA-N -1 3 396.386 0.971 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826364162 607929633 /nfs/dbraw/zinc/92/96/33/607929633.db2.gz MVRDBNAMIBEHRB-SNVBAGLBSA-N -1 3 384.375 0.694 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826364162 607929634 /nfs/dbraw/zinc/92/96/34/607929634.db2.gz MVRDBNAMIBEHRB-SNVBAGLBSA-N -1 3 384.375 0.694 20 0 GCADHM O=C([C@H]1CCc2n[nH]cc2C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826398645 607934419 /nfs/dbraw/zinc/93/44/19/607934419.db2.gz BALBSAYNGATZHG-LBPRGKRZSA-N -1 3 379.428 0.439 20 0 GCADHM Cn1cc([C@@H](CO)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826358990 607938451 /nfs/dbraw/zinc/93/84/51/607938451.db2.gz QTEKIPQBGMJHOD-SNVBAGLBSA-N -1 3 383.821 0.266 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC(OCCO)CC1 ZINC000826494151 607938499 /nfs/dbraw/zinc/93/84/99/607938499.db2.gz PVDGJHMFDCKIOE-UHFFFAOYSA-N -1 3 387.849 0.682 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC(OCCO)CC1 ZINC000826494151 607938500 /nfs/dbraw/zinc/93/85/00/607938500.db2.gz PVDGJHMFDCKIOE-UHFFFAOYSA-N -1 3 387.849 0.682 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826453284 607944195 /nfs/dbraw/zinc/94/41/95/607944195.db2.gz FAVSGGFTLBUSJP-SSDOTTSWSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826453284 607944196 /nfs/dbraw/zinc/94/41/96/607944196.db2.gz FAVSGGFTLBUSJP-SSDOTTSWSA-N -1 3 392.725 0.888 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000826395810 607944991 /nfs/dbraw/zinc/94/49/91/607944991.db2.gz TXCDALIBQQQUCJ-UHFFFAOYSA-N -1 3 382.384 0.395 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000826395810 607944992 /nfs/dbraw/zinc/94/49/92/607944992.db2.gz TXCDALIBQQQUCJ-UHFFFAOYSA-N -1 3 382.384 0.395 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1cncc(N2CCOCC2)c1 ZINC000826463777 607945305 /nfs/dbraw/zinc/94/53/05/607945305.db2.gz UMRKRFOGRQZTDE-UHFFFAOYSA-N -1 3 396.411 0.762 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1cncc(N2CCOCC2)c1 ZINC000826463777 607945306 /nfs/dbraw/zinc/94/53/06/607945306.db2.gz UMRKRFOGRQZTDE-UHFFFAOYSA-N -1 3 396.411 0.762 20 0 GCADHM O=C(CCc1nc(-c2nc[nH]n2)no1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826409229 607946673 /nfs/dbraw/zinc/94/66/73/607946673.db2.gz NTIIHCBFKPKZCI-UHFFFAOYSA-N -1 3 378.356 0.557 20 0 GCADHM CNS(=O)(=O)c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826090808 607947109 /nfs/dbraw/zinc/94/71/09/607947109.db2.gz PQXHIIAZBFHAFL-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM CNS(=O)(=O)c1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826090808 607947110 /nfs/dbraw/zinc/94/71/10/607947110.db2.gz PQXHIIAZBFHAFL-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM O=C(CCn1nnc2ccccc2c1=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826409682 607950273 /nfs/dbraw/zinc/95/02/73/607950273.db2.gz KMDPPVOTYKHGFL-UHFFFAOYSA-N -1 3 388.391 0.951 20 0 GCADHM O=C(CCn1nnc2ccccc2c1=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826409682 607950274 /nfs/dbraw/zinc/95/02/74/607950274.db2.gz KMDPPVOTYKHGFL-UHFFFAOYSA-N -1 3 388.391 0.951 20 0 GCADHM Cn1c2cccc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)c2oc1=O ZINC000826354616 607960106 /nfs/dbraw/zinc/96/01/06/607960106.db2.gz MZIKAWDNUQFSAN-ZDUSSCGKSA-N -1 3 394.347 0.695 20 0 GCADHM Cn1c2cccc(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)c2oc1=O ZINC000826354616 607960107 /nfs/dbraw/zinc/96/01/07/607960107.db2.gz MZIKAWDNUQFSAN-ZDUSSCGKSA-N -1 3 394.347 0.695 20 0 GCADHM CCS(=O)(=O)c1ccc(CCC(=O)n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825669446 607960963 /nfs/dbraw/zinc/96/09/63/607960963.db2.gz XYAOXYSBWIYGMD-UHFFFAOYSA-N -1 3 375.414 0.712 20 0 GCADHM NC(=O)c1cc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)on1 ZINC000826392539 607961282 /nfs/dbraw/zinc/96/12/82/607961282.db2.gz BYLFKYLXLBIGCJ-UHFFFAOYSA-N -1 3 394.298 0.877 20 0 GCADHM NC(=O)c1cc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)on1 ZINC000826392539 607961283 /nfs/dbraw/zinc/96/12/83/607961283.db2.gz BYLFKYLXLBIGCJ-UHFFFAOYSA-N -1 3 394.298 0.877 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000826419497 607963699 /nfs/dbraw/zinc/96/36/99/607963699.db2.gz ZVDJSBTVTWTGDX-GOEBONIOSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000826419497 607963700 /nfs/dbraw/zinc/96/37/00/607963700.db2.gz ZVDJSBTVTWTGDX-GOEBONIOSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826419499 607963740 /nfs/dbraw/zinc/96/37/40/607963740.db2.gz ZVDJSBTVTWTGDX-ZBFHGGJFSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826419499 607963741 /nfs/dbraw/zinc/96/37/41/607963741.db2.gz ZVDJSBTVTWTGDX-ZBFHGGJFSA-N -1 3 383.408 0.846 20 0 GCADHM Cc1nc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c(=O)[nH]c1C ZINC000826323453 607964107 /nfs/dbraw/zinc/96/41/07/607964107.db2.gz FCGAFNUYWMIHIF-UHFFFAOYSA-N -1 3 398.402 0.668 20 0 GCADHM Cc1ccc(S(N)(=O)=O)c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826292953 607964181 /nfs/dbraw/zinc/96/41/81/607964181.db2.gz UTEOAFMQNVWZQM-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM Cc1ccc(S(N)(=O)=O)c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826292953 607964182 /nfs/dbraw/zinc/96/41/82/607964182.db2.gz UTEOAFMQNVWZQM-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM COCC(=O)N(C)CC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826147775 607964700 /nfs/dbraw/zinc/96/47/00/607964700.db2.gz LUYNCXMISIKASU-UHFFFAOYSA-N -1 3 378.458 0.321 20 0 GCADHM COCC(=O)N(C)CC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826147775 607964701 /nfs/dbraw/zinc/96/47/01/607964701.db2.gz LUYNCXMISIKASU-UHFFFAOYSA-N -1 3 378.458 0.321 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000825799916 607964761 /nfs/dbraw/zinc/96/47/61/607964761.db2.gz WQSNYMXWUBQAAN-UHFFFAOYSA-N -1 3 394.439 0.610 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000825799916 607964762 /nfs/dbraw/zinc/96/47/62/607964762.db2.gz WQSNYMXWUBQAAN-UHFFFAOYSA-N -1 3 394.439 0.610 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000825799115 607965314 /nfs/dbraw/zinc/96/53/14/607965314.db2.gz DXIGNEKZKSIPCN-UHFFFAOYSA-N -1 3 381.400 0.010 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000825799115 607965315 /nfs/dbraw/zinc/96/53/15/607965315.db2.gz DXIGNEKZKSIPCN-UHFFFAOYSA-N -1 3 381.400 0.010 20 0 GCADHM O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826489030 607971482 /nfs/dbraw/zinc/97/14/82/607971482.db2.gz GFXHKHTXGBYAPS-DZGCQCFKSA-N -1 3 375.385 0.942 20 0 GCADHM COC(=O)[C@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CCSC1 ZINC000826124537 607973210 /nfs/dbraw/zinc/97/32/10/607973210.db2.gz SZUZNKQOBXONAN-AWEZNQCLSA-N -1 3 383.455 0.502 20 0 GCADHM COC(=O)[C@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CCSC1 ZINC000826124537 607973211 /nfs/dbraw/zinc/97/32/11/607973211.db2.gz SZUZNKQOBXONAN-AWEZNQCLSA-N -1 3 383.455 0.502 20 0 GCADHM CN1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccccc1 ZINC000826028621 607973431 /nfs/dbraw/zinc/97/34/31/607973431.db2.gz DMVWQVMTEVYKGB-ZBFHGGJFSA-N -1 3 385.453 0.985 20 0 GCADHM CN1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccccc1 ZINC000826028621 607973432 /nfs/dbraw/zinc/97/34/32/607973432.db2.gz DMVWQVMTEVYKGB-ZBFHGGJFSA-N -1 3 385.453 0.985 20 0 GCADHM COCC1(O)CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000826153333 607973552 /nfs/dbraw/zinc/97/35/52/607973552.db2.gz JXFAYGMLZRAKHC-UHFFFAOYSA-N -1 3 389.384 0.307 20 0 GCADHM COCC1(O)CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000826153333 607973553 /nfs/dbraw/zinc/97/35/53/607973553.db2.gz JXFAYGMLZRAKHC-UHFFFAOYSA-N -1 3 389.384 0.307 20 0 GCADHM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825662909 607974923 /nfs/dbraw/zinc/97/49/23/607974923.db2.gz DRODEHRAHPTLIT-UHFFFAOYSA-N -1 3 377.423 0.061 20 0 GCADHM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825662909 607974924 /nfs/dbraw/zinc/97/49/24/607974924.db2.gz DRODEHRAHPTLIT-UHFFFAOYSA-N -1 3 377.423 0.061 20 0 GCADHM CCS(=O)(=O)NCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000825663803 607980117 /nfs/dbraw/zinc/98/01/17/607980117.db2.gz WLBNJZKIVFBWAE-UHFFFAOYSA-N -1 3 380.474 0.791 20 0 GCADHM CCS(=O)(=O)NCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000825663803 607980118 /nfs/dbraw/zinc/98/01/18/607980118.db2.gz WLBNJZKIVFBWAE-UHFFFAOYSA-N -1 3 380.474 0.791 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cn1 ZINC000825799317 607981064 /nfs/dbraw/zinc/98/10/64/607981064.db2.gz JFCZHJHMRYPTGQ-UHFFFAOYSA-N -1 3 398.402 0.754 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1cnn(C)c1C ZINC000825621220 607981468 /nfs/dbraw/zinc/98/14/68/607981468.db2.gz PWVIEFILAFOWFJ-UHFFFAOYSA-N -1 3 384.400 0.562 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1cnn(C)c1C ZINC000825621220 607981469 /nfs/dbraw/zinc/98/14/69/607981469.db2.gz PWVIEFILAFOWFJ-UHFFFAOYSA-N -1 3 384.400 0.562 20 0 GCADHM CCS(=O)(=O)NCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825663549 607981551 /nfs/dbraw/zinc/98/15/51/607981551.db2.gz RJNSTEZSPZIEGS-UHFFFAOYSA-N -1 3 394.457 0.176 20 0 GCADHM CCS(=O)(=O)NCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825663418 607981631 /nfs/dbraw/zinc/98/16/31/607981631.db2.gz OFGDKMDVXVKQND-UHFFFAOYSA-N -1 3 394.457 0.176 20 0 GCADHM CCS(=O)(=O)NCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825663418 607981632 /nfs/dbraw/zinc/98/16/32/607981632.db2.gz OFGDKMDVXVKQND-UHFFFAOYSA-N -1 3 394.457 0.176 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824288367 607986336 /nfs/dbraw/zinc/98/63/36/607986336.db2.gz DPTOIALDCMSAGT-UHFFFAOYSA-N -1 3 380.474 0.238 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824288367 607986337 /nfs/dbraw/zinc/98/63/37/607986337.db2.gz DPTOIALDCMSAGT-UHFFFAOYSA-N -1 3 380.474 0.238 20 0 GCADHM CCS(=O)(=O)CCN(C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000825663246 607991669 /nfs/dbraw/zinc/99/16/69/607991669.db2.gz KLPXZYQZFILRHB-UHFFFAOYSA-N -1 3 386.503 0.850 20 0 GCADHM CCS(=O)(=O)CCN(C)CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000825663246 607991670 /nfs/dbraw/zinc/99/16/70/607991670.db2.gz KLPXZYQZFILRHB-UHFFFAOYSA-N -1 3 386.503 0.850 20 0 GCADHM COCC1(O)CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826153063 607993675 /nfs/dbraw/zinc/99/36/75/607993675.db2.gz AQMGBRIGZPMMLX-UHFFFAOYSA-N -1 3 376.417 0.428 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN([C@H]2CCOC2)CC1 ZINC000826495461 608001359 /nfs/dbraw/zinc/00/13/59/608001359.db2.gz PSWJZZBXSMQIBO-NSHDSACASA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN([C@H]2CCOC2)CC1 ZINC000826495461 608001360 /nfs/dbraw/zinc/00/13/60/608001360.db2.gz PSWJZZBXSMQIBO-NSHDSACASA-N -1 3 382.421 0.101 20 0 GCADHM C[C@H](OC(=O)C(C)(CO)CO)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824705721 608003057 /nfs/dbraw/zinc/00/30/57/608003057.db2.gz CNBUXNOOBYFUKL-QMMMGPOBSA-N -1 3 383.792 0.381 20 0 GCADHM C[C@H](OC(=O)C(C)(CO)CO)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824705721 608003058 /nfs/dbraw/zinc/00/30/58/608003058.db2.gz CNBUXNOOBYFUKL-QMMMGPOBSA-N -1 3 383.792 0.381 20 0 GCADHM C[C@H](CO)CCCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824433461 608005289 /nfs/dbraw/zinc/00/52/89/608005289.db2.gz FGBAPCXMUPKKAQ-LBPRGKRZSA-N -1 3 381.458 0.306 20 0 GCADHM COC(=O)C1(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCSCC1 ZINC000826123745 608006128 /nfs/dbraw/zinc/00/61/28/608006128.db2.gz IPGXSGNJKBHFJP-UHFFFAOYSA-N -1 3 376.442 0.834 20 0 GCADHM COC(=O)[C@@]1(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)CCSC1 ZINC000826123468 608006210 /nfs/dbraw/zinc/00/62/10/608006210.db2.gz DLKMDYALFGWKDU-QLJPJBMISA-N -1 3 377.426 0.799 20 0 GCADHM COC(=O)[C@@]1(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)CCSC1 ZINC000826123468 608006211 /nfs/dbraw/zinc/00/62/11/608006211.db2.gz DLKMDYALFGWKDU-QLJPJBMISA-N -1 3 377.426 0.799 20 0 GCADHM COC(=O)[C@]1(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCSC1 ZINC000826124854 608007126 /nfs/dbraw/zinc/00/71/26/608007126.db2.gz XIJORGKWUSDEOL-QFYYESIMSA-N -1 3 377.426 0.799 20 0 GCADHM O=C(CNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)NCCO ZINC000826411667 608007410 /nfs/dbraw/zinc/00/74/10/608007410.db2.gz IGKLJBLRXDGFME-UHFFFAOYSA-N -1 3 397.395 0.889 20 0 GCADHM O=C(CNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)NCCO ZINC000826411667 608007411 /nfs/dbraw/zinc/00/74/11/608007411.db2.gz IGKLJBLRXDGFME-UHFFFAOYSA-N -1 3 397.395 0.889 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H]2CCNC2=O)cc1-c1nnn[n-]1 ZINC000825532826 608007555 /nfs/dbraw/zinc/00/75/55/608007555.db2.gz XIWOBBYWMRKWOC-GFCCVEGCSA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H]2CCNC2=O)cc1-c1nn[n-]n1 ZINC000825532826 608007556 /nfs/dbraw/zinc/00/75/56/608007556.db2.gz XIWOBBYWMRKWOC-GFCCVEGCSA-N -1 3 388.388 0.787 20 0 GCADHM Cc1nc(SCC(=O)N(C)[C@@H]2CCNC2=O)c(-c2nnn[n-]2)c(C)c1C ZINC000826327481 608010925 /nfs/dbraw/zinc/01/09/25/608010925.db2.gz JNVPPQXQHJQHBD-LLVKDONJSA-N -1 3 375.458 0.626 20 0 GCADHM Cc1nc(SCC(=O)N(C)[C@@H]2CCNC2=O)c(-c2nn[n-]n2)c(C)c1C ZINC000826327481 608010926 /nfs/dbraw/zinc/01/09/26/608010926.db2.gz JNVPPQXQHJQHBD-LLVKDONJSA-N -1 3 375.458 0.626 20 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394.277 0.887 20 0 GCADHM O=C(N[C@H]1CCCCNC1=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826482944 608049244 /nfs/dbraw/zinc/04/92/44/608049244.db2.gz VTMHBAJSBQMUKA-LSDHHAIUSA-N -1 3 385.428 0.618 20 0 GCADHM O=C(N[C@H]1CCCCNC1=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826482944 608049245 /nfs/dbraw/zinc/04/92/45/608049245.db2.gz VTMHBAJSBQMUKA-LSDHHAIUSA-N -1 3 385.428 0.618 20 0 GCADHM CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000823994738 608049898 /nfs/dbraw/zinc/04/98/98/608049898.db2.gz OIGSULUXYNCSPM-LLVKDONJSA-N -1 3 381.234 0.971 20 0 GCADHM Cn1ncc2c1nc(N1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)[nH]c2=O ZINC000826366318 608052444 /nfs/dbraw/zinc/05/24/44/608052444.db2.gz BYBLFQNKIGIGEP-CYBMUJFWSA-N -1 3 379.384 0.827 20 0 GCADHM Cn1ncc2c1nc(N1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)[nH]c2=O ZINC000826366318 608052445 /nfs/dbraw/zinc/05/24/45/608052445.db2.gz BYBLFQNKIGIGEP-CYBMUJFWSA-N -1 3 379.384 0.827 20 0 GCADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826104166 608056301 /nfs/dbraw/zinc/05/63/01/608056301.db2.gz QXZLQNQUZGROQZ-RISCZKNCSA-N -1 3 395.441 0.379 20 0 GCADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826104166 608056302 /nfs/dbraw/zinc/05/63/02/608056302.db2.gz QXZLQNQUZGROQZ-RISCZKNCSA-N -1 3 395.441 0.379 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826364993 608056544 /nfs/dbraw/zinc/05/65/44/608056544.db2.gz WFHBRYMJYMBJJO-CYBMUJFWSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826364993 608056545 /nfs/dbraw/zinc/05/65/45/608056545.db2.gz WFHBRYMJYMBJJO-CYBMUJFWSA-N -1 3 375.414 0.362 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826484664 608056645 /nfs/dbraw/zinc/05/66/45/608056645.db2.gz KWWQIXPAHPAYDY-CABCVRRESA-N -1 3 379.442 0.749 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826484664 608056646 /nfs/dbraw/zinc/05/66/46/608056646.db2.gz KWWQIXPAHPAYDY-CABCVRRESA-N -1 3 379.442 0.749 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826104464 608057234 /nfs/dbraw/zinc/05/72/34/608057234.db2.gz XALDLSXLDLJFNW-SECBINFHSA-N -1 3 375.357 0.650 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826104464 608057235 /nfs/dbraw/zinc/05/72/35/608057235.db2.gz XALDLSXLDLJFNW-SECBINFHSA-N -1 3 375.357 0.650 20 0 GCADHM NC(=O)c1ccc(CNC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)o1 ZINC000826393077 608064841 /nfs/dbraw/zinc/06/48/41/608064841.db2.gz ATYVLVLTTSGVMF-HNNXBMFYSA-N -1 3 397.395 0.842 20 0 GCADHM NC(=O)c1ccc(CNC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)o1 ZINC000826393077 608064842 /nfs/dbraw/zinc/06/48/42/608064842.db2.gz ATYVLVLTTSGVMF-HNNXBMFYSA-N -1 3 397.395 0.842 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826428878 608065948 /nfs/dbraw/zinc/06/59/48/608065948.db2.gz NYCAMJVFUZZTPR-GOEBONIOSA-N -1 3 397.439 0.713 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826428878 608065949 /nfs/dbraw/zinc/06/59/49/608065949.db2.gz NYCAMJVFUZZTPR-GOEBONIOSA-N -1 3 397.439 0.713 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824305975 608066203 /nfs/dbraw/zinc/06/62/03/608066203.db2.gz YPDDKTMRKVLOFL-WFASDCNBSA-N -1 3 387.444 0.863 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@H](C)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824305975 608066204 /nfs/dbraw/zinc/06/62/04/608066204.db2.gz YPDDKTMRKVLOFL-WFASDCNBSA-N -1 3 387.444 0.863 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824305973 608066284 /nfs/dbraw/zinc/06/62/84/608066284.db2.gz YPDDKTMRKVLOFL-IUODEOHRSA-N -1 3 387.444 0.863 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824305973 608066285 /nfs/dbraw/zinc/06/62/85/608066285.db2.gz YPDDKTMRKVLOFL-IUODEOHRSA-N -1 3 387.444 0.863 20 0 GCADHM O[C@@H](COc1ccc(-c2nn[n-]n2)cc1)CN1CCN(c2ncccc2F)CC1 ZINC000826504281 608066781 /nfs/dbraw/zinc/06/67/81/608066781.db2.gz SAFLGOHVVGEIQC-OAHLLOKOSA-N -1 3 399.430 0.963 20 0 GCADHM CN(C)c1nc(N)nc(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000825883705 608067044 /nfs/dbraw/zinc/06/70/44/608067044.db2.gz KZXXYEPBVZITJU-CYBMUJFWSA-N -1 3 382.432 0.273 20 0 GCADHM CN(C)c1nc(N)nc(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000825883705 608067045 /nfs/dbraw/zinc/06/70/45/608067045.db2.gz KZXXYEPBVZITJU-CYBMUJFWSA-N -1 3 382.432 0.273 20 0 GCADHM O[C@H](COC[C@@H]1CCCO1)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826504438 608067806 /nfs/dbraw/zinc/06/78/06/608067806.db2.gz WDHQZWZSPQEFSL-BZSNNMDCSA-N -1 3 389.456 0.797 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000825700884 608074468 /nfs/dbraw/zinc/07/44/68/608074468.db2.gz XRQKOJVUNKWNGF-CQSZACIVSA-N -1 3 397.395 0.956 20 0 GCADHM CCc1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000825700884 608074469 /nfs/dbraw/zinc/07/44/69/608074469.db2.gz XRQKOJVUNKWNGF-CQSZACIVSA-N -1 3 397.395 0.956 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000826269338 608074647 /nfs/dbraw/zinc/07/46/47/608074647.db2.gz IWYZOLMAUPOLEY-CYBMUJFWSA-N -1 3 383.368 0.702 20 0 GCADHM Cc1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000826269338 608074648 /nfs/dbraw/zinc/07/46/48/608074648.db2.gz IWYZOLMAUPOLEY-CYBMUJFWSA-N -1 3 383.368 0.702 20 0 GCADHM Cc1conc1NC(=O)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826320278 608074752 /nfs/dbraw/zinc/07/47/52/608074752.db2.gz LKOGWTOLQXCENL-CYBMUJFWSA-N -1 3 383.368 0.702 20 0 GCADHM Cc1conc1NC(=O)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826320278 608074753 /nfs/dbraw/zinc/07/47/53/608074753.db2.gz LKOGWTOLQXCENL-CYBMUJFWSA-N -1 3 383.368 0.702 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826363553 608074982 /nfs/dbraw/zinc/07/49/82/608074982.db2.gz RXEBLBLAVZRTAA-ZDUSSCGKSA-N -1 3 382.384 0.139 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826363553 608074983 /nfs/dbraw/zinc/07/49/83/608074983.db2.gz RXEBLBLAVZRTAA-ZDUSSCGKSA-N -1 3 382.384 0.139 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000826456198 608075100 /nfs/dbraw/zinc/07/51/00/608075100.db2.gz UKICRCWUUGGNRX-UHFFFAOYSA-N -1 3 396.386 0.688 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000826456198 608075101 /nfs/dbraw/zinc/07/51/01/608075101.db2.gz UKICRCWUUGGNRX-UHFFFAOYSA-N -1 3 396.386 0.688 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826454793 608075113 /nfs/dbraw/zinc/07/51/13/608075113.db2.gz LLQWAQGSVIBYAE-CQSZACIVSA-N -1 3 397.370 0.939 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826454793 608075114 /nfs/dbraw/zinc/07/51/14/608075114.db2.gz LLQWAQGSVIBYAE-CQSZACIVSA-N -1 3 397.370 0.939 20 0 GCADHM CC(=O)N(CCc1ccccc1)CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000823967905 608075210 /nfs/dbraw/zinc/07/52/10/608075210.db2.gz SNVUEPWQNPLUNQ-UHFFFAOYSA-N -1 3 398.427 0.280 20 0 GCADHM CC(=O)N(CCc1ccccc1)CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000823967905 608075211 /nfs/dbraw/zinc/07/52/11/608075211.db2.gz SNVUEPWQNPLUNQ-UHFFFAOYSA-N -1 3 398.427 0.280 20 0 GCADHM O=C(Nc1cccnc1)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826457570 608075475 /nfs/dbraw/zinc/07/54/75/608075475.db2.gz HHUUWBXLWGVARS-HNNXBMFYSA-N -1 3 379.380 0.800 20 0 GCADHM O=C(Nc1cccnc1)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826457570 608075476 /nfs/dbraw/zinc/07/54/76/608075476.db2.gz HHUUWBXLWGVARS-HNNXBMFYSA-N -1 3 379.380 0.800 20 0 GCADHM C[C@@H]1CC[C@H](COC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000824908167 608076271 /nfs/dbraw/zinc/07/62/71/608076271.db2.gz MYCNFKKYNAEGCB-BXUZGUMPSA-N -1 3 380.426 0.892 20 0 GCADHM C[C@@H]1CC[C@H](COC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000824908167 608076272 /nfs/dbraw/zinc/07/62/72/608076272.db2.gz MYCNFKKYNAEGCB-BXUZGUMPSA-N -1 3 380.426 0.892 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826406895 608082062 /nfs/dbraw/zinc/08/20/62/608082062.db2.gz RUSGSBWUMRIBHZ-AWEZNQCLSA-N -1 3 384.396 0.306 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826406895 608082063 /nfs/dbraw/zinc/08/20/63/608082063.db2.gz RUSGSBWUMRIBHZ-AWEZNQCLSA-N -1 3 384.396 0.306 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823988342 608082106 /nfs/dbraw/zinc/08/21/06/608082106.db2.gz HJOWVDGAKXBTSH-HUUCEWRRSA-N -1 3 388.453 0.688 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823988342 608082107 /nfs/dbraw/zinc/08/21/07/608082107.db2.gz HJOWVDGAKXBTSH-HUUCEWRRSA-N -1 3 388.453 0.688 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC000826392787 608082115 /nfs/dbraw/zinc/08/21/15/608082115.db2.gz NBYVYRKSNJRLPE-OAHLLOKOSA-N -1 3 379.380 0.574 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC000826392787 608082116 /nfs/dbraw/zinc/08/21/16/608082116.db2.gz NBYVYRKSNJRLPE-OAHLLOKOSA-N -1 3 379.380 0.574 20 0 GCADHM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826398496 608082172 /nfs/dbraw/zinc/08/21/72/608082172.db2.gz YATFQCGTVMQCIA-GOEBONIOSA-N -1 3 382.424 0.778 20 0 GCADHM O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826398496 608082173 /nfs/dbraw/zinc/08/21/73/608082173.db2.gz YATFQCGTVMQCIA-GOEBONIOSA-N -1 3 382.424 0.778 20 0 GCADHM O=C(CNC(=O)c1cccnc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826432805 608084346 /nfs/dbraw/zinc/08/43/46/608084346.db2.gz LMDIDTSGMBKLFR-MRXNPFEDSA-N -1 3 393.407 0.592 20 0 GCADHM O=C(CNC(=O)c1cccnc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826432805 608084347 /nfs/dbraw/zinc/08/43/47/608084347.db2.gz LMDIDTSGMBKLFR-MRXNPFEDSA-N -1 3 393.407 0.592 20 0 GCADHM NC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000826391768 608089788 /nfs/dbraw/zinc/08/97/88/608089788.db2.gz BAQYYQILCWPBSH-GJZGRUSLSA-N -1 3 385.428 0.557 20 0 GCADHM NC(=O)N1CCC[C@H](C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000826391768 608089789 /nfs/dbraw/zinc/08/97/89/608089789.db2.gz BAQYYQILCWPBSH-GJZGRUSLSA-N -1 3 385.428 0.557 20 0 GCADHM O=C(OCc1ccccc1-c1nnn[n-]1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000826466764 608090092 /nfs/dbraw/zinc/09/00/92/608090092.db2.gz SHZNWIGYJDEHFZ-UHFFFAOYSA-N -1 3 386.393 0.408 20 0 GCADHM O=C(OCc1ccccc1-c1nn[n-]n1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000826466764 608090093 /nfs/dbraw/zinc/09/00/93/608090093.db2.gz SHZNWIGYJDEHFZ-UHFFFAOYSA-N -1 3 386.393 0.408 20 0 GCADHM C[C@@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824713637 608101102 /nfs/dbraw/zinc/10/11/02/608101102.db2.gz JIHTWRKVAZQSHB-GHMZBOCLSA-N -1 3 387.400 0.528 20 0 GCADHM C[C@@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824713637 608101103 /nfs/dbraw/zinc/10/11/03/608101103.db2.gz JIHTWRKVAZQSHB-GHMZBOCLSA-N -1 3 387.400 0.528 20 0 GCADHM O=C(c1ccc2n[nH]c(=O)n2c1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826473923 608102305 /nfs/dbraw/zinc/10/23/05/608102305.db2.gz UDDRPWSXCQZSTJ-UHFFFAOYSA-N -1 3 391.395 0.577 20 0 GCADHM O=C(c1ccc2n[nH]c(=O)n2c1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826473923 608102306 /nfs/dbraw/zinc/10/23/06/608102306.db2.gz UDDRPWSXCQZSTJ-UHFFFAOYSA-N -1 3 391.395 0.577 20 0 GCADHM C[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000824977872 608105627 /nfs/dbraw/zinc/10/56/27/608105627.db2.gz SNVRUEVCMGWWDU-MFKMUULPSA-N -1 3 383.378 0.962 20 0 GCADHM C[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000824977872 608105628 /nfs/dbraw/zinc/10/56/28/608105628.db2.gz SNVRUEVCMGWWDU-MFKMUULPSA-N -1 3 383.378 0.962 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1scnc1C1CC1 ZINC000826438236 608108147 /nfs/dbraw/zinc/10/81/47/608108147.db2.gz UDERWANVQLXPSW-UHFFFAOYSA-N -1 3 399.440 0.762 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1scnc1C1CC1 ZINC000826438236 608108148 /nfs/dbraw/zinc/10/81/48/608108148.db2.gz UDERWANVQLXPSW-UHFFFAOYSA-N -1 3 399.440 0.762 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000826279176 608111683 /nfs/dbraw/zinc/11/16/83/608111683.db2.gz IBVOWAOVBCSOBJ-ZIAGYGMSSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000826279176 608111684 /nfs/dbraw/zinc/11/16/84/608111684.db2.gz IBVOWAOVBCSOBJ-ZIAGYGMSSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000826279173 608111760 /nfs/dbraw/zinc/11/17/60/608111760.db2.gz IBVOWAOVBCSOBJ-KBPBESRZSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000826279173 608111761 /nfs/dbraw/zinc/11/17/61/608111761.db2.gz IBVOWAOVBCSOBJ-KBPBESRZSA-N -1 3 390.469 0.854 20 0 GCADHM O=C1C[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CN1 ZINC000826479139 608111900 /nfs/dbraw/zinc/11/19/00/608111900.db2.gz RJZMOWYBFBDCQA-AAEUAGOBSA-N -1 3 394.432 0.685 20 0 GCADHM O=C1C[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CN1 ZINC000826479139 608111901 /nfs/dbraw/zinc/11/19/01/608111901.db2.gz RJZMOWYBFBDCQA-AAEUAGOBSA-N -1 3 394.432 0.685 20 0 GCADHM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CN1 ZINC000826479318 608111915 /nfs/dbraw/zinc/11/19/15/608111915.db2.gz WJPNPTOELXIYOC-TZMCWYRMSA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CN1 ZINC000826479318 608111916 /nfs/dbraw/zinc/11/19/16/608111916.db2.gz WJPNPTOELXIYOC-TZMCWYRMSA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CN1 ZINC000826479346 608112030 /nfs/dbraw/zinc/11/20/30/608112030.db2.gz WWINXFXMGSVVNM-OCCSQVGLSA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CN1 ZINC000826479346 608112031 /nfs/dbraw/zinc/11/20/31/608112031.db2.gz WWINXFXMGSVVNM-OCCSQVGLSA-N -1 3 376.442 0.546 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826440147 608113401 /nfs/dbraw/zinc/11/34/01/608113401.db2.gz ALESXRNQQGSSNU-LBPRGKRZSA-N -1 3 375.364 0.742 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826440147 608113402 /nfs/dbraw/zinc/11/34/02/608113402.db2.gz ALESXRNQQGSSNU-LBPRGKRZSA-N -1 3 375.364 0.742 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826438644 608113431 /nfs/dbraw/zinc/11/34/31/608113431.db2.gz LBDFRBKJZQXRJC-CYBMUJFWSA-N -1 3 387.400 0.482 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCC1(CO)COC1 ZINC000826175327 608116442 /nfs/dbraw/zinc/11/64/42/608116442.db2.gz AUCWUJSHKLEXJI-UHFFFAOYSA-N -1 3 378.385 0.586 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCC1(CO)COC1 ZINC000826175327 608116443 /nfs/dbraw/zinc/11/64/43/608116443.db2.gz AUCWUJSHKLEXJI-UHFFFAOYSA-N -1 3 378.385 0.586 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826277196 608117756 /nfs/dbraw/zinc/11/77/56/608117756.db2.gz MSJVAQNQRZYCIW-LBPRGKRZSA-N -1 3 385.384 0.167 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826277196 608117757 /nfs/dbraw/zinc/11/77/57/608117757.db2.gz MSJVAQNQRZYCIW-LBPRGKRZSA-N -1 3 385.384 0.167 20 0 GCADHM CCC1(CO)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825170479 608117977 /nfs/dbraw/zinc/11/79/77/608117977.db2.gz AHIZXLPJRCCWAO-UHFFFAOYSA-N -1 3 376.392 0.955 20 0 GCADHM CCC1(CO)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825170479 608117978 /nfs/dbraw/zinc/11/79/78/608117978.db2.gz AHIZXLPJRCCWAO-UHFFFAOYSA-N -1 3 376.392 0.955 20 0 GCADHM C[C@H]1OCC[C@@H]1NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825021744 608117995 /nfs/dbraw/zinc/11/79/95/608117995.db2.gz UCLWPRFJJWEHGD-APPZFPTMSA-N -1 3 382.327 0.700 20 0 GCADHM C[C@H]1OCC[C@@H]1NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825021744 608117996 /nfs/dbraw/zinc/11/79/96/608117996.db2.gz UCLWPRFJJWEHGD-APPZFPTMSA-N -1 3 382.327 0.700 20 0 GCADHM Cc1c(NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000826241036 608118250 /nfs/dbraw/zinc/11/82/50/608118250.db2.gz OUVZRTFZOIYLBI-UHFFFAOYSA-N -1 3 394.457 0.395 20 0 GCADHM Cc1c(NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000826241036 608118251 /nfs/dbraw/zinc/11/82/51/608118251.db2.gz OUVZRTFZOIYLBI-UHFFFAOYSA-N -1 3 394.457 0.395 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC2(COC(=O)N2)CC1 ZINC000826481650 608124979 /nfs/dbraw/zinc/12/49/79/608124979.db2.gz DPIZIZMYSJZUPB-HNNXBMFYSA-N -1 3 397.439 0.937 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000825972281 608125113 /nfs/dbraw/zinc/12/51/13/608125113.db2.gz ZCKFRUZTGICVSP-CQSZACIVSA-N -1 3 378.458 0.975 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000825972281 608125114 /nfs/dbraw/zinc/12/51/14/608125114.db2.gz ZCKFRUZTGICVSP-CQSZACIVSA-N -1 3 378.458 0.975 20 0 GCADHM CC(=O)NC1CCC(N(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823989236 608126134 /nfs/dbraw/zinc/12/61/34/608126134.db2.gz QQMFOVTZFMQSJX-UHFFFAOYSA-N -1 3 378.458 0.935 20 0 GCADHM CC(=O)NC1CCC(N(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823989236 608126135 /nfs/dbraw/zinc/12/61/35/608126135.db2.gz QQMFOVTZFMQSJX-UHFFFAOYSA-N -1 3 378.458 0.935 20 0 GCADHM O=C1NC2(CO1)CCN([C@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)CC2 ZINC000826482927 608126590 /nfs/dbraw/zinc/12/65/90/608126590.db2.gz VGRWTNMSTUUILR-NSHDSACASA-N -1 3 389.441 0.608 20 0 GCADHM O=C1NC2(CO1)CCN([C@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)CC2 ZINC000826482927 608126591 /nfs/dbraw/zinc/12/65/91/608126591.db2.gz VGRWTNMSTUUILR-NSHDSACASA-N -1 3 389.441 0.608 20 0 GCADHM O=C1NC2(CO1)CCN([C@H]1CCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)CC2 ZINC000826482673 608126613 /nfs/dbraw/zinc/12/66/13/608126613.db2.gz NEKFCKAFWPCUTF-AWEZNQCLSA-N -1 3 383.412 0.546 20 0 GCADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000824449875 608130181 /nfs/dbraw/zinc/13/01/81/608130181.db2.gz PUNSDUBQGKQENV-DQQVXTMASA-N -1 3 395.464 0.604 20 0 GCADHM COCCCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000826156330 608138006 /nfs/dbraw/zinc/13/80/06/608138006.db2.gz YLLQZRVFEPRSID-UHFFFAOYSA-N -1 3 392.416 0.325 20 0 GCADHM COCCCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000826156330 608138007 /nfs/dbraw/zinc/13/80/07/608138007.db2.gz YLLQZRVFEPRSID-UHFFFAOYSA-N -1 3 392.416 0.325 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CN1CSCC1=O ZINC000826161465 608138716 /nfs/dbraw/zinc/13/87/16/608138716.db2.gz JRZMQKYUECAVAR-UHFFFAOYSA-N -1 3 378.414 0.363 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CN1CSCC1=O ZINC000826161465 608138717 /nfs/dbraw/zinc/13/87/17/608138717.db2.gz JRZMQKYUECAVAR-UHFFFAOYSA-N -1 3 378.414 0.363 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCS(C)(=O)=O ZINC000826161617 608139050 /nfs/dbraw/zinc/13/90/50/608139050.db2.gz QPSIPSIALHSNJF-UHFFFAOYSA-N -1 3 383.430 0.655 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCS(C)(=O)=O ZINC000826161617 608139051 /nfs/dbraw/zinc/13/90/51/608139051.db2.gz QPSIPSIALHSNJF-UHFFFAOYSA-N -1 3 383.430 0.655 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)c1-c1nnn[n-]1 ZINC000826299308 608141979 /nfs/dbraw/zinc/14/19/79/608141979.db2.gz ZJMOMGLICACKBE-NSHDSACASA-N -1 3 392.441 0.197 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)c1-c1nn[n-]n1 ZINC000826299308 608141980 /nfs/dbraw/zinc/14/19/80/608141980.db2.gz ZJMOMGLICACKBE-NSHDSACASA-N -1 3 392.441 0.197 20 0 GCADHM O=C(NC[C@@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826435494 608142394 /nfs/dbraw/zinc/14/23/94/608142394.db2.gz PLRHNUCRFDWAPI-JTQLQIEISA-N -1 3 396.404 0.028 20 0 GCADHM O=C(NC[C@@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826435494 608142395 /nfs/dbraw/zinc/14/23/95/608142395.db2.gz PLRHNUCRFDWAPI-JTQLQIEISA-N -1 3 396.404 0.028 20 0 GCADHM CC(C)(C)OC(=O)N1CC(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824103674 608145932 /nfs/dbraw/zinc/14/59/32/608145932.db2.gz GVIWDLNDDBOAOP-UHFFFAOYSA-N -1 3 388.432 0.657 20 0 GCADHM CC(C)(C)OC(=O)N1CC(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824103674 608145933 /nfs/dbraw/zinc/14/59/33/608145933.db2.gz GVIWDLNDDBOAOP-UHFFFAOYSA-N -1 3 388.432 0.657 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000824100561 608146065 /nfs/dbraw/zinc/14/60/65/608146065.db2.gz VFHRCORWWJABBS-UHFFFAOYSA-N -1 3 391.384 0.247 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000824100561 608146066 /nfs/dbraw/zinc/14/60/66/608146066.db2.gz VFHRCORWWJABBS-UHFFFAOYSA-N -1 3 391.384 0.247 20 0 GCADHM O=C(NC[C@H](O)CCc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826432641 608146611 /nfs/dbraw/zinc/14/66/11/608146611.db2.gz HECAYDNMQBEDMD-MRXNPFEDSA-N -1 3 380.408 0.915 20 0 GCADHM O=C(NC[C@H](O)CCc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826432641 608146612 /nfs/dbraw/zinc/14/66/12/608146612.db2.gz HECAYDNMQBEDMD-MRXNPFEDSA-N -1 3 380.408 0.915 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1-n1ccnn1 ZINC000826438313 608146640 /nfs/dbraw/zinc/14/66/40/608146640.db2.gz XYLWPEDEBLLHBF-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1-n1ccnn1 ZINC000826438313 608146641 /nfs/dbraw/zinc/14/66/41/608146641.db2.gz XYLWPEDEBLLHBF-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM CC1([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)OCCO1 ZINC000824817122 608146763 /nfs/dbraw/zinc/14/67/63/608146763.db2.gz KYHHRVJGJKPXLK-CYBMUJFWSA-N -1 3 386.412 0.807 20 0 GCADHM CC1([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)OCCO1 ZINC000824817122 608146764 /nfs/dbraw/zinc/14/67/64/608146764.db2.gz KYHHRVJGJKPXLK-CYBMUJFWSA-N -1 3 386.412 0.807 20 0 GCADHM COCc1noc([C@H](C)OC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826166065 608147168 /nfs/dbraw/zinc/14/71/68/608147168.db2.gz USLLSJRSDIDLPD-VIFPVBQESA-N -1 3 387.356 0.430 20 0 GCADHM COCc1noc([C@H](C)OC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826166065 608147169 /nfs/dbraw/zinc/14/71/69/608147169.db2.gz USLLSJRSDIDLPD-VIFPVBQESA-N -1 3 387.356 0.430 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000826455730 608147243 /nfs/dbraw/zinc/14/72/43/608147243.db2.gz BETVVNYRICZCKG-UHFFFAOYSA-N -1 3 386.412 0.461 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000826455730 608147244 /nfs/dbraw/zinc/14/72/44/608147244.db2.gz BETVVNYRICZCKG-UHFFFAOYSA-N -1 3 386.412 0.461 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1cccnc1-n1cccn1 ZINC000826414158 608152925 /nfs/dbraw/zinc/15/29/25/608152925.db2.gz IGQLPWHWZJGCNA-UHFFFAOYSA-N -1 3 376.384 0.571 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1cccnc1-n1cccn1 ZINC000826414158 608152926 /nfs/dbraw/zinc/15/29/26/608152926.db2.gz IGQLPWHWZJGCNA-UHFFFAOYSA-N -1 3 376.384 0.571 20 0 GCADHM Cc1cc(C(=O)Nc2ccncc2-c2nnn[n-]2)nn1-c1nc(C)cc(C)n1 ZINC000826265660 608156823 /nfs/dbraw/zinc/15/68/23/608156823.db2.gz IMCBIJAYNYJLLP-UHFFFAOYSA-N -1 3 376.384 0.837 20 0 GCADHM Cc1cc(C(=O)Nc2ccncc2-c2nn[n-]n2)nn1-c1nc(C)cc(C)n1 ZINC000826265660 608156824 /nfs/dbraw/zinc/15/68/24/608156824.db2.gz IMCBIJAYNYJLLP-UHFFFAOYSA-N -1 3 376.384 0.837 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1-c1nnn[n-]1 ZINC000826302620 608158750 /nfs/dbraw/zinc/15/87/50/608158750.db2.gz OCZIGSSFAKGODT-MLGOLLRUSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000826302620 608158751 /nfs/dbraw/zinc/15/87/51/608158751.db2.gz OCZIGSSFAKGODT-MLGOLLRUSA-N -1 3 379.442 0.792 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476236 608161777 /nfs/dbraw/zinc/16/17/77/608161777.db2.gz CTBAIZYHFMALAL-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476236 608161778 /nfs/dbraw/zinc/16/17/78/608161778.db2.gz CTBAIZYHFMALAL-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476535 608161895 /nfs/dbraw/zinc/16/18/95/608161895.db2.gz MVZDTMKFPAWPLT-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476535 608161896 /nfs/dbraw/zinc/16/18/96/608161896.db2.gz MVZDTMKFPAWPLT-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H]1C[C@H](CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCO1 ZINC000824882598 608164060 /nfs/dbraw/zinc/16/40/60/608164060.db2.gz CGKDBOOSUVAPJX-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H]1C[C@H](CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCO1 ZINC000824882598 608164062 /nfs/dbraw/zinc/16/40/62/608164062.db2.gz CGKDBOOSUVAPJX-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825583949 608164561 /nfs/dbraw/zinc/16/45/61/608164561.db2.gz YTKSSNSVJYZFGK-LLVKDONJSA-N -1 3 382.446 0.767 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000825583949 608164562 /nfs/dbraw/zinc/16/45/62/608164562.db2.gz YTKSSNSVJYZFGK-LLVKDONJSA-N -1 3 382.446 0.767 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825583005 608164705 /nfs/dbraw/zinc/16/47/05/608164705.db2.gz QJRAGDBHOVKUOG-CYBMUJFWSA-N -1 3 396.835 0.969 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825583005 608164706 /nfs/dbraw/zinc/16/47/06/608164706.db2.gz QJRAGDBHOVKUOG-CYBMUJFWSA-N -1 3 396.835 0.969 20 0 GCADHM C[C@H]1C[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824882550 608165633 /nfs/dbraw/zinc/16/56/33/608165633.db2.gz BRDINKPHYYOJCV-JSGCOSHPSA-N -1 3 393.469 0.713 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000826478934 608165794 /nfs/dbraw/zinc/16/57/94/608165794.db2.gz MOCSPQJFOFOICG-ZIAGYGMSSA-N -1 3 399.459 0.374 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000826478934 608165795 /nfs/dbraw/zinc/16/57/95/608165795.db2.gz MOCSPQJFOFOICG-ZIAGYGMSSA-N -1 3 399.459 0.374 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000826478933 608165853 /nfs/dbraw/zinc/16/58/53/608165853.db2.gz MOCSPQJFOFOICG-UONOGXRCSA-N -1 3 399.459 0.374 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000826478933 608165854 /nfs/dbraw/zinc/16/58/54/608165854.db2.gz MOCSPQJFOFOICG-UONOGXRCSA-N -1 3 399.459 0.374 20 0 GCADHM O=C1[C@H](N2CCN3C(=O)OCC[C@@H]3C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476669 608168185 /nfs/dbraw/zinc/16/81/85/608168185.db2.gz MHMQCMIIKWLGKW-HUUCEWRRSA-N -1 3 383.412 0.499 20 0 GCADHM O=C1[C@H](N2CCN3C(=O)OCC[C@@H]3C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476669 608168186 /nfs/dbraw/zinc/16/81/86/608168186.db2.gz MHMQCMIIKWLGKW-HUUCEWRRSA-N -1 3 383.412 0.499 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000826479350 608168227 /nfs/dbraw/zinc/16/82/27/608168227.db2.gz WWTFNUFVBKCNQI-HOCLYGCPSA-N -1 3 399.455 0.946 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N(C)CC(C)(C)S(C)(=O)=O ZINC000824045874 608168968 /nfs/dbraw/zinc/16/89/68/608168968.db2.gz OMLFXBAJMPHMCO-LLVKDONJSA-N -1 3 380.474 0.949 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)CC(C)(C)S(C)(=O)=O ZINC000824045874 608168970 /nfs/dbraw/zinc/16/89/70/608168970.db2.gz OMLFXBAJMPHMCO-LLVKDONJSA-N -1 3 380.474 0.949 20 0 GCADHM Cc1cnc([C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826317665 608169070 /nfs/dbraw/zinc/16/90/70/608169070.db2.gz KMQIKRFFTZIEDK-SNVBAGLBSA-N -1 3 392.397 0.746 20 0 GCADHM Cc1cnc([C@@H](C)OC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317665 608169072 /nfs/dbraw/zinc/16/90/72/608169072.db2.gz KMQIKRFFTZIEDK-SNVBAGLBSA-N -1 3 392.397 0.746 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825897205 608169108 /nfs/dbraw/zinc/16/91/08/608169108.db2.gz DKZGORABUJQTAS-AWEZNQCLSA-N -1 3 392.485 0.727 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825897205 608169111 /nfs/dbraw/zinc/16/91/11/608169111.db2.gz DKZGORABUJQTAS-AWEZNQCLSA-N -1 3 392.485 0.727 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](CO)CC(F)(F)F ZINC000826174887 608182166 /nfs/dbraw/zinc/18/21/66/608182166.db2.gz MLOSHNCTSGEWDU-SECBINFHSA-N -1 3 375.307 0.684 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](CO)CC(F)(F)F ZINC000826174887 608182167 /nfs/dbraw/zinc/18/21/67/608182167.db2.gz MLOSHNCTSGEWDU-SECBINFHSA-N -1 3 375.307 0.684 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H](CO)CC(F)(F)F)cc1 ZINC000826394946 608183284 /nfs/dbraw/zinc/18/32/84/608183284.db2.gz GBVCXUQFEMRWNV-SECBINFHSA-N -1 3 396.333 0.678 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H](CO)CC(F)(F)F)cc1 ZINC000826394946 608183285 /nfs/dbraw/zinc/18/32/85/608183285.db2.gz GBVCXUQFEMRWNV-SECBINFHSA-N -1 3 396.333 0.678 20 0 GCADHM CCN1C(=O)N=NC1C1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825789146 608185258 /nfs/dbraw/zinc/18/52/58/608185258.db2.gz XJVJYPBHUKOTED-UHFFFAOYSA-N -1 3 398.427 0.969 20 0 GCADHM CCN1C(=O)N=NC1C1CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825789146 608185259 /nfs/dbraw/zinc/18/52/59/608185259.db2.gz XJVJYPBHUKOTED-UHFFFAOYSA-N -1 3 398.427 0.969 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC(C(F)F)C1 ZINC000824640630 608186603 /nfs/dbraw/zinc/18/66/03/608186603.db2.gz MPTWACKIAZPWOY-MRVPVSSYSA-N -1 3 386.384 0.257 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC(C(F)F)C1 ZINC000824640630 608186604 /nfs/dbraw/zinc/18/66/04/608186604.db2.gz MPTWACKIAZPWOY-MRVPVSSYSA-N -1 3 386.384 0.257 20 0 GCADHM O=C(N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1(O)CCSCC1 ZINC000826425972 608187749 /nfs/dbraw/zinc/18/77/49/608187749.db2.gz ATNUZWSCOGOAKY-UHFFFAOYSA-N -1 3 375.458 0.168 20 0 GCADHM O=C(N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1(O)CCSCC1 ZINC000826425972 608187751 /nfs/dbraw/zinc/18/77/51/608187751.db2.gz ATNUZWSCOGOAKY-UHFFFAOYSA-N -1 3 375.458 0.168 20 0 GCADHM O=C(CN1CSCC1=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826411743 608190782 /nfs/dbraw/zinc/19/07/82/608190782.db2.gz LCBJFFCSJNLZLL-UHFFFAOYSA-N -1 3 384.425 0.406 20 0 GCADHM O=C(CN1CSCC1=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826411743 608190783 /nfs/dbraw/zinc/19/07/83/608190783.db2.gz LCBJFFCSJNLZLL-UHFFFAOYSA-N -1 3 384.425 0.406 20 0 GCADHM CCn1nc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)ccc1=O ZINC000825807504 608191576 /nfs/dbraw/zinc/19/15/76/608191576.db2.gz RITVJEAABQYEIX-UHFFFAOYSA-N -1 3 391.395 0.763 20 0 GCADHM CCn1nc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)ccc1=O ZINC000825807504 608191577 /nfs/dbraw/zinc/19/15/77/608191577.db2.gz RITVJEAABQYEIX-UHFFFAOYSA-N -1 3 391.395 0.763 20 0 GCADHM O=C(CCCn1cncn1)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826406850 608192091 /nfs/dbraw/zinc/19/20/91/608192091.db2.gz PWYGPGNDLHTWSA-UHFFFAOYSA-N -1 3 378.400 0.945 20 0 GCADHM O=C(CCCn1cncn1)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826406850 608192092 /nfs/dbraw/zinc/19/20/92/608192092.db2.gz PWYGPGNDLHTWSA-UHFFFAOYSA-N -1 3 378.400 0.945 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cccc1-c1nnn[n-]1 ZINC000826241238 608192442 /nfs/dbraw/zinc/19/24/42/608192442.db2.gz WLJKKCMVHDRGHL-KPZWWZAWSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cccc1-c1nn[n-]n1 ZINC000826241238 608192443 /nfs/dbraw/zinc/19/24/43/608192443.db2.gz WLJKKCMVHDRGHL-KPZWWZAWSA-N -1 3 386.412 0.568 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@]1(C)CCOC1 ZINC000824641369 608199281 /nfs/dbraw/zinc/19/92/81/608199281.db2.gz VCAQQAWTFOISEP-ZBEGNZNMSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@]1(C)CCOC1 ZINC000824641369 608199283 /nfs/dbraw/zinc/19/92/83/608199283.db2.gz VCAQQAWTFOISEP-ZBEGNZNMSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(Cl)[nH]n1 ZINC000824633930 608199631 /nfs/dbraw/zinc/19/96/31/608199631.db2.gz RWONBZOVMAFQHG-SSDOTTSWSA-N -1 3 396.820 0.549 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(Cl)[nH]n1 ZINC000824633930 608199634 /nfs/dbraw/zinc/19/96/34/608199634.db2.gz RWONBZOVMAFQHG-SSDOTTSWSA-N -1 3 396.820 0.549 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@]1(C)CCOC1 ZINC000824633820 608199790 /nfs/dbraw/zinc/19/97/90/608199790.db2.gz QPMQAKLCBLIHMZ-BDJLRTHQSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@]1(C)CCOC1 ZINC000824633820 608199792 /nfs/dbraw/zinc/19/97/92/608199792.db2.gz QPMQAKLCBLIHMZ-BDJLRTHQSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H]1[C@H](C)N(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCN1C ZINC000824860809 608202598 /nfs/dbraw/zinc/20/25/98/608202598.db2.gz XXCCOFVWZLYIEL-RYUDHWBXSA-N -1 3 381.444 0.799 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825476766 608202908 /nfs/dbraw/zinc/20/29/08/608202908.db2.gz VJUVAYQPWLJGLY-SECBINFHSA-N -1 3 385.837 0.069 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825476766 608202910 /nfs/dbraw/zinc/20/29/10/608202910.db2.gz VJUVAYQPWLJGLY-SECBINFHSA-N -1 3 385.837 0.069 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NN1CCCCC1 ZINC000826405902 608205566 /nfs/dbraw/zinc/20/55/66/608205566.db2.gz YPLSBJQAHAOLDO-AWEZNQCLSA-N -1 3 398.427 0.589 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NN1CCCCC1 ZINC000826405902 608205567 /nfs/dbraw/zinc/20/55/67/608205567.db2.gz YPLSBJQAHAOLDO-AWEZNQCLSA-N -1 3 398.427 0.589 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000825476926 608206859 /nfs/dbraw/zinc/20/68/59/608206859.db2.gz YXXPCSNWNCGLHC-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000825476926 608206862 /nfs/dbraw/zinc/20/68/62/608206862.db2.gz YXXPCSNWNCGLHC-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM Cc1ocnc1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826342434 608208480 /nfs/dbraw/zinc/20/84/80/608208480.db2.gz KDKQDOBUFLTNJA-SECBINFHSA-N -1 3 391.413 0.146 20 0 GCADHM Cc1ocnc1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826342434 608208482 /nfs/dbraw/zinc/20/84/82/608208482.db2.gz KDKQDOBUFLTNJA-SECBINFHSA-N -1 3 391.413 0.146 20 0 GCADHM C[C@H](OC(=O)C1(O)CCSCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824713086 608209268 /nfs/dbraw/zinc/20/92/68/608209268.db2.gz GNTGJAZRHDAYBH-JTQLQIEISA-N -1 3 377.426 0.995 20 0 GCADHM C[C@H](OC(=O)C1(O)CCSCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824713086 608209270 /nfs/dbraw/zinc/20/92/70/608209270.db2.gz GNTGJAZRHDAYBH-JTQLQIEISA-N -1 3 377.426 0.995 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCCCc1nnc2n1CCCC2 ZINC000826412907 608210350 /nfs/dbraw/zinc/21/03/50/608210350.db2.gz IXZSOCLLYULICH-UHFFFAOYSA-N -1 3 381.444 0.955 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000826478381 608210354 /nfs/dbraw/zinc/21/03/54/608210354.db2.gz AHHWBWXHMWPURH-LSDHHAIUSA-N -1 3 397.439 0.114 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000826478381 608210356 /nfs/dbraw/zinc/21/03/56/608210356.db2.gz AHHWBWXHMWPURH-LSDHHAIUSA-N -1 3 397.439 0.114 20 0 GCADHM COC(=O)[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1cccc(O)c1 ZINC000826104010 608213254 /nfs/dbraw/zinc/21/32/54/608213254.db2.gz NRJQKLHNVLUKOO-INIZCTEOSA-N -1 3 383.364 0.982 20 0 GCADHM COC(=O)[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1cccc(O)c1 ZINC000826104010 608213256 /nfs/dbraw/zinc/21/32/56/608213256.db2.gz NRJQKLHNVLUKOO-INIZCTEOSA-N -1 3 383.364 0.982 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1ccc(C(=O)NCCO)cc1 ZINC000826419282 608213510 /nfs/dbraw/zinc/21/35/10/608213510.db2.gz QTYUQMHJQNIGAZ-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1ccc(C(=O)NCCO)cc1 ZINC000826419282 608213511 /nfs/dbraw/zinc/21/35/11/608213511.db2.gz QTYUQMHJQNIGAZ-UHFFFAOYSA-N -1 3 382.380 0.606 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCOC[C@@H]1CCO ZINC000826175591 608213513 /nfs/dbraw/zinc/21/35/13/608213513.db2.gz KAFXQTRVNBHLHC-AWEZNQCLSA-N -1 3 391.428 0.644 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCOC[C@@H]1CCO ZINC000826175591 608213514 /nfs/dbraw/zinc/21/35/14/608213514.db2.gz KAFXQTRVNBHLHC-AWEZNQCLSA-N -1 3 391.428 0.644 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)Nc2ccc3nncn3c2)cc1 ZINC000826395229 608213705 /nfs/dbraw/zinc/21/37/05/608213705.db2.gz SITANSDENBFGOP-UHFFFAOYSA-N -1 3 387.367 0.930 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)Nc2ccc3nncn3c2)cc1 ZINC000826395229 608213706 /nfs/dbraw/zinc/21/37/06/608213706.db2.gz SITANSDENBFGOP-UHFFFAOYSA-N -1 3 387.367 0.930 20 0 GCADHM O=C(c1cnc2n[nH]nc2c1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826474883 608214486 /nfs/dbraw/zinc/21/44/86/608214486.db2.gz JYBJINRQKSSVOB-UHFFFAOYSA-N -1 3 390.411 0.886 20 0 GCADHM O=C(c1cnc2n[nH]nc2c1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826474883 608214488 /nfs/dbraw/zinc/21/44/88/608214488.db2.gz JYBJINRQKSSVOB-UHFFFAOYSA-N -1 3 390.411 0.886 20 0 GCADHM C[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)C(=O)NCc1ccccc1 ZINC000824479911 608219833 /nfs/dbraw/zinc/21/98/33/608219833.db2.gz RGLIIMNCSCAYHQ-GFCCVEGCSA-N -1 3 380.412 0.495 20 0 GCADHM C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)C(=O)NCc1ccccc1 ZINC000824479911 608219835 /nfs/dbraw/zinc/21/98/35/608219835.db2.gz RGLIIMNCSCAYHQ-GFCCVEGCSA-N -1 3 380.412 0.495 20 0 GCADHM CCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367392 608219942 /nfs/dbraw/zinc/21/99/42/608219942.db2.gz OUFDHEHPJLIJAO-GFCCVEGCSA-N -1 3 385.428 0.747 20 0 GCADHM CCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367392 608219944 /nfs/dbraw/zinc/21/99/44/608219944.db2.gz OUFDHEHPJLIJAO-GFCCVEGCSA-N -1 3 385.428 0.747 20 0 GCADHM O[C@H](Cn1cnc2c1ncnc2N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826505199 608220845 /nfs/dbraw/zinc/22/08/45/608220845.db2.gz PFJSKAXFCBOWPH-CQSZACIVSA-N -1 3 393.411 0.577 20 0 GCADHM O[C@H](Cn1cnc2c1ncnc2N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826505199 608220847 /nfs/dbraw/zinc/22/08/47/608220847.db2.gz PFJSKAXFCBOWPH-CQSZACIVSA-N -1 3 393.411 0.577 20 0 GCADHM CSCC[C@@H](O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826228137 608221673 /nfs/dbraw/zinc/22/16/73/608221673.db2.gz GCEUKVKDYINRPV-CQSZACIVSA-N -1 3 380.449 0.768 20 0 GCADHM CSCC[C@H](O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826228136 608222054 /nfs/dbraw/zinc/22/20/54/608222054.db2.gz GCEUKVKDYINRPV-AWEZNQCLSA-N -1 3 380.449 0.768 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000826482812 608222146 /nfs/dbraw/zinc/22/21/46/608222146.db2.gz QVJREQSRURJUIV-MRXNPFEDSA-N -1 3 378.396 0.373 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000826482812 608222148 /nfs/dbraw/zinc/22/21/48/608222148.db2.gz QVJREQSRURJUIV-MRXNPFEDSA-N -1 3 378.396 0.373 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000826413532 608223428 /nfs/dbraw/zinc/22/34/28/608223428.db2.gz JAFIXQLNRBBHGJ-AWEZNQCLSA-N -1 3 378.396 0.595 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1CCN(c2ccccc2)C1=O ZINC000826413532 608223430 /nfs/dbraw/zinc/22/34/30/608223430.db2.gz JAFIXQLNRBBHGJ-AWEZNQCLSA-N -1 3 378.396 0.595 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000826413906 608224363 /nfs/dbraw/zinc/22/43/63/608224363.db2.gz WKWLPFDJPNTUMX-CYBMUJFWSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000826413906 608224365 /nfs/dbraw/zinc/22/43/65/608224365.db2.gz WKWLPFDJPNTUMX-CYBMUJFWSA-N -1 3 396.386 0.734 20 0 GCADHM C[C@@H](c1cccnc1)N1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824771535 608224372 /nfs/dbraw/zinc/22/43/72/608224372.db2.gz QXTAMVHWFYVIHH-AWEZNQCLSA-N -1 3 393.455 0.974 20 0 GCADHM C[C@@H](c1cccnc1)N1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824771535 608224373 /nfs/dbraw/zinc/22/43/73/608224373.db2.gz QXTAMVHWFYVIHH-AWEZNQCLSA-N -1 3 393.455 0.974 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826429278 608224426 /nfs/dbraw/zinc/22/44/26/608224426.db2.gz YTNIATXRPGCNRZ-UHFFFAOYSA-N -1 3 392.423 0.342 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826429278 608224427 /nfs/dbraw/zinc/22/44/27/608224427.db2.gz YTNIATXRPGCNRZ-UHFFFAOYSA-N -1 3 392.423 0.342 20 0 GCADHM CCN1C(=O)[C@H]2CN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CCN2C1=O ZINC000825444994 608232053 /nfs/dbraw/zinc/23/20/53/608232053.db2.gz UKNGVXRVOCIBOJ-CQSZACIVSA-N -1 3 378.396 0.888 20 0 GCADHM CCN1C(=O)[C@H]2CN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CCN2C1=O ZINC000825444994 608232055 /nfs/dbraw/zinc/23/20/55/608232055.db2.gz UKNGVXRVOCIBOJ-CQSZACIVSA-N -1 3 378.396 0.888 20 0 GCADHM C[C@H](O)C(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000824678797 608234574 /nfs/dbraw/zinc/23/45/74/608234574.db2.gz ORQAXZRVRHXQPB-VIFPVBQESA-N -1 3 389.366 0.723 20 0 GCADHM C[C@H](O)C(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000824678797 608234577 /nfs/dbraw/zinc/23/45/77/608234577.db2.gz ORQAXZRVRHXQPB-VIFPVBQESA-N -1 3 389.366 0.723 20 0 GCADHM CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)[C@H](O)C(F)(F)F ZINC000825148747 608239284 /nfs/dbraw/zinc/23/92/84/608239284.db2.gz SXAHCARVMXPCKH-WPRPVWTQSA-N -1 3 383.327 0.986 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826060607 608239830 /nfs/dbraw/zinc/23/98/30/608239830.db2.gz PLZSQVQVKNWFGC-ONGXEEELSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826060607 608239832 /nfs/dbraw/zinc/23/98/32/608239832.db2.gz PLZSQVQVKNWFGC-ONGXEEELSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826060010 608241120 /nfs/dbraw/zinc/24/11/20/608241120.db2.gz DWXWASQYXKZTLF-KGLIPLIRSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826060010 608241121 /nfs/dbraw/zinc/24/11/21/608241121.db2.gz DWXWASQYXKZTLF-KGLIPLIRSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826061011 608241164 /nfs/dbraw/zinc/24/11/64/608241164.db2.gz YGUIJPLWZXQDHR-BZUAXINKSA-N -1 3 399.455 0.864 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826061011 608241166 /nfs/dbraw/zinc/24/11/66/608241166.db2.gz YGUIJPLWZXQDHR-BZUAXINKSA-N -1 3 399.455 0.864 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826060968 608241183 /nfs/dbraw/zinc/24/11/83/608241183.db2.gz XIXPQFIRAYCZQT-TZMCWYRMSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826060968 608241185 /nfs/dbraw/zinc/24/11/85/608241185.db2.gz XIXPQFIRAYCZQT-TZMCWYRMSA-N -1 3 399.459 0.008 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@@]1(O)CCSC1 ZINC000826431555 608241416 /nfs/dbraw/zinc/24/14/16/608241416.db2.gz FJMYHVHNCPLBEA-MRXNPFEDSA-N -1 3 375.458 0.215 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@@]1(O)CCSC1 ZINC000826431555 608241418 /nfs/dbraw/zinc/24/14/18/608241418.db2.gz FJMYHVHNCPLBEA-MRXNPFEDSA-N -1 3 375.458 0.215 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826322091 608241778 /nfs/dbraw/zinc/24/17/78/608241778.db2.gz ZARYQTUEKSRMGJ-ZDUSSCGKSA-N -1 3 389.441 0.969 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826322091 608241780 /nfs/dbraw/zinc/24/17/80/608241780.db2.gz ZARYQTUEKSRMGJ-ZDUSSCGKSA-N -1 3 389.441 0.969 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)[C@]1(O)CCSC1 ZINC000826454869 608244695 /nfs/dbraw/zinc/24/46/95/608244695.db2.gz OAVNSKURDOFVTI-KRWDZBQOSA-N -1 3 390.469 0.634 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)[C@]1(O)CCSC1 ZINC000826454869 608244697 /nfs/dbraw/zinc/24/46/97/608244697.db2.gz OAVNSKURDOFVTI-KRWDZBQOSA-N -1 3 390.469 0.634 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)[C@H](O)C(F)(F)F ZINC000825133129 608244935 /nfs/dbraw/zinc/24/49/35/608244935.db2.gz JRXDEWLKHZXBDL-KWQFWETISA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)[C@H](O)C(F)(F)F ZINC000825133129 608244937 /nfs/dbraw/zinc/24/49/37/608244937.db2.gz JRXDEWLKHZXBDL-KWQFWETISA-N -1 3 386.334 0.932 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000826052705 608245092 /nfs/dbraw/zinc/24/50/92/608245092.db2.gz SNCHOMLAHNMRQJ-MWLCHTKSSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000826052705 608245093 /nfs/dbraw/zinc/24/50/93/608245093.db2.gz SNCHOMLAHNMRQJ-MWLCHTKSSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826052648 608245612 /nfs/dbraw/zinc/24/56/12/608245612.db2.gz RHQGAGOEPMOWTG-SKDRFNHKSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826052648 608245613 /nfs/dbraw/zinc/24/56/13/608245613.db2.gz RHQGAGOEPMOWTG-SKDRFNHKSA-N -1 3 391.819 0.490 20 0 GCADHM COC[C@H](O)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000826151998 608246175 /nfs/dbraw/zinc/24/61/75/608246175.db2.gz NXDAHAKYVIHGFM-GFCCVEGCSA-N -1 3 380.474 0.793 20 0 GCADHM COC[C@H](O)CCNC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000826151998 608246176 /nfs/dbraw/zinc/24/61/76/608246176.db2.gz NXDAHAKYVIHGFM-GFCCVEGCSA-N -1 3 380.474 0.793 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000825620527 608247284 /nfs/dbraw/zinc/24/72/84/608247284.db2.gz CUVXZFMPDREMBM-LBPRGKRZSA-N -1 3 399.411 0.037 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000825620527 608247285 /nfs/dbraw/zinc/24/72/85/608247285.db2.gz CUVXZFMPDREMBM-LBPRGKRZSA-N -1 3 399.411 0.037 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826060067 608248431 /nfs/dbraw/zinc/24/84/31/608248431.db2.gz GDGVINKKRAEPHY-TZMCWYRMSA-N -1 3 395.427 0.279 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826060067 608248432 /nfs/dbraw/zinc/24/84/32/608248432.db2.gz GDGVINKKRAEPHY-TZMCWYRMSA-N -1 3 395.427 0.279 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825759288 608249494 /nfs/dbraw/zinc/24/94/94/608249494.db2.gz BKZIOCASXVCCEO-UHFFFAOYSA-N -1 3 377.430 0.650 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825759288 608249495 /nfs/dbraw/zinc/24/94/95/608249495.db2.gz BKZIOCASXVCCEO-UHFFFAOYSA-N -1 3 377.430 0.650 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824679189 608249539 /nfs/dbraw/zinc/24/95/39/608249539.db2.gz RAWVALLHDJUSIC-LLVKDONJSA-N -1 3 376.442 0.010 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824679189 608249540 /nfs/dbraw/zinc/24/95/40/608249540.db2.gz RAWVALLHDJUSIC-LLVKDONJSA-N -1 3 376.442 0.010 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824679761 608249742 /nfs/dbraw/zinc/24/97/42/608249742.db2.gz VSYIAQIEGJKHDM-MRVPVSSYSA-N -1 3 399.238 0.839 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824679761 608249744 /nfs/dbraw/zinc/24/97/44/608249744.db2.gz VSYIAQIEGJKHDM-MRVPVSSYSA-N -1 3 399.238 0.839 20 0 GCADHM O=C(CCCC(=O)N1CCN2C(=O)CC[C@H]2C1)Nc1ccccc1-c1nnn[n-]1 ZINC000826405433 608251992 /nfs/dbraw/zinc/25/19/92/608251992.db2.gz FMQKUXGHOSAQCL-ZDUSSCGKSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(CCCC(=O)N1CCN2C(=O)CC[C@H]2C1)Nc1ccccc1-c1nn[n-]n1 ZINC000826405433 608251994 /nfs/dbraw/zinc/25/19/94/608251994.db2.gz FMQKUXGHOSAQCL-ZDUSSCGKSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCOC[C@H]1C1CC1 ZINC000826411409 608254493 /nfs/dbraw/zinc/25/44/93/608254493.db2.gz XCQNLWNSPZCVDQ-INIZCTEOSA-N -1 3 398.471 0.021 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCOC[C@H]1C1CC1 ZINC000826411409 608254494 /nfs/dbraw/zinc/25/44/94/608254494.db2.gz XCQNLWNSPZCVDQ-INIZCTEOSA-N -1 3 398.471 0.021 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCSC1 ZINC000825897896 608254480 /nfs/dbraw/zinc/25/44/80/608254480.db2.gz PYVVTNCJQCPXNA-CYBMUJFWSA-N -1 3 376.442 0.786 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCSC1 ZINC000825897896 608254482 /nfs/dbraw/zinc/25/44/82/608254482.db2.gz PYVVTNCJQCPXNA-CYBMUJFWSA-N -1 3 376.442 0.786 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826472811 608256615 /nfs/dbraw/zinc/25/66/15/608256615.db2.gz XLVHSXYHPACESN-MRXNPFEDSA-N -1 3 395.423 0.459 20 0 GCADHM C[C@H](O)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000824678513 608257214 /nfs/dbraw/zinc/25/72/14/608257214.db2.gz NDIPGVULKNYRIQ-JTQLQIEISA-N -1 3 382.371 0.493 20 0 GCADHM C[C@H](O)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000824678513 608257215 /nfs/dbraw/zinc/25/72/15/608257215.db2.gz NDIPGVULKNYRIQ-JTQLQIEISA-N -1 3 382.371 0.493 20 0 GCADHM CC(C)(C)n1nccc1NC(=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000824152541 608257473 /nfs/dbraw/zinc/25/74/73/608257473.db2.gz GVTJMTWXQUTXHN-UHFFFAOYSA-N -1 3 398.431 0.380 20 0 GCADHM CC(C)(C)n1nccc1NC(=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000824152541 608257475 /nfs/dbraw/zinc/25/74/75/608257475.db2.gz GVTJMTWXQUTXHN-UHFFFAOYSA-N -1 3 398.431 0.380 20 0 GCADHM CC(C)(C)n1nccc1NC(=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824153026 608259393 /nfs/dbraw/zinc/25/93/93/608259393.db2.gz YOEQPNISNCGOJV-UHFFFAOYSA-N -1 3 398.427 0.952 20 0 GCADHM CNC(=O)c1nn(Cc2ccc(-c3nnn[n-]3)cc2OC)c(=O)c2ccccc21 ZINC000826073437 608263736 /nfs/dbraw/zinc/26/37/36/608263736.db2.gz RRHKQGKDDNXKMG-UHFFFAOYSA-N -1 3 391.391 0.993 20 0 GCADHM CNC(=O)c1nn(Cc2ccc(-c3nn[n-]n3)cc2OC)c(=O)c2ccccc21 ZINC000826073437 608263738 /nfs/dbraw/zinc/26/37/38/608263738.db2.gz RRHKQGKDDNXKMG-UHFFFAOYSA-N -1 3 391.391 0.993 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825760016 608264762 /nfs/dbraw/zinc/26/47/62/608264762.db2.gz RYCGLNNIBQNBDJ-UHFFFAOYSA-N -1 3 398.427 0.735 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825760016 608264763 /nfs/dbraw/zinc/26/47/63/608264763.db2.gz RYCGLNNIBQNBDJ-UHFFFAOYSA-N -1 3 398.427 0.735 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)C(N)=O)cc1-c1nnn[n-]1 ZINC000825532620 608269382 /nfs/dbraw/zinc/26/93/82/608269382.db2.gz VMWMDDACROBTQO-QMMMGPOBSA-N -1 3 376.377 0.773 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N(C)[C@@H](C)C(N)=O)cc1-c1nn[n-]n1 ZINC000825532620 608269383 /nfs/dbraw/zinc/26/93/83/608269383.db2.gz VMWMDDACROBTQO-QMMMGPOBSA-N -1 3 376.377 0.773 20 0 GCADHM C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000824522343 608273821 /nfs/dbraw/zinc/27/38/21/608273821.db2.gz QWTISYNSQXNLPF-QMMMGPOBSA-N -1 3 390.381 0.821 20 0 GCADHM C[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000824522343 608273822 /nfs/dbraw/zinc/27/38/22/608273822.db2.gz QWTISYNSQXNLPF-QMMMGPOBSA-N -1 3 390.381 0.821 20 0 GCADHM O=S(=O)(CCNc1nc2c(cc1-c1nnn[n-]1)CCCC2)N1CCOCC1 ZINC000826485260 608280505 /nfs/dbraw/zinc/28/05/05/608280505.db2.gz IMNVMTGLHDELJM-UHFFFAOYSA-N -1 3 393.473 0.214 20 0 GCADHM O=S(=O)(CCNc1nc2c(cc1-c1nn[n-]n1)CCCC2)N1CCOCC1 ZINC000826485260 608280506 /nfs/dbraw/zinc/28/05/06/608280506.db2.gz IMNVMTGLHDELJM-UHFFFAOYSA-N -1 3 393.473 0.214 20 0 GCADHM CCN1C(=O)[C@H]2CN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CCN2C1=O ZINC000825445189 608294640 /nfs/dbraw/zinc/29/46/40/608294640.db2.gz WZOUHBLGZUPMJW-CQSZACIVSA-N -1 3 382.428 0.613 20 0 GCADHM CCN1C(=O)[C@H]2CN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CCN2C1=O ZINC000825445189 608294641 /nfs/dbraw/zinc/29/46/41/608294641.db2.gz WZOUHBLGZUPMJW-CQSZACIVSA-N -1 3 382.428 0.613 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCN([C@H]2CCOC2)CC1 ZINC000669631718 608302010 /nfs/dbraw/zinc/30/20/10/608302010.db2.gz BNGWJBUXTPENHF-NSHDSACASA-N -1 3 398.876 0.615 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCN([C@H]2CCOC2)CC1 ZINC000669631718 608302012 /nfs/dbraw/zinc/30/20/12/608302012.db2.gz BNGWJBUXTPENHF-NSHDSACASA-N -1 3 398.876 0.615 20 0 GCADHM Cc1nnc(CS(=O)(=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826336233 608305335 /nfs/dbraw/zinc/30/53/35/608305335.db2.gz SCKPGPSCRCKNSV-UHFFFAOYSA-N -1 3 379.427 0.580 20 0 GCADHM Cc1nnc(CS(=O)(=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826336233 608305337 /nfs/dbraw/zinc/30/53/37/608305337.db2.gz SCKPGPSCRCKNSV-UHFFFAOYSA-N -1 3 379.427 0.580 20 0 GCADHM CCC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCN1CCOC ZINC000825254778 608306263 /nfs/dbraw/zinc/30/62/63/608306263.db2.gz URACLGROVQPULH-GFCCVEGCSA-N -1 3 377.453 0.565 20 0 GCADHM NC(=O)c1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000826393260 608306617 /nfs/dbraw/zinc/30/66/17/608306617.db2.gz KGCAVAMONJYSIK-HNNXBMFYSA-N -1 3 394.395 0.966 20 0 GCADHM NC(=O)c1ccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000826393260 608306619 /nfs/dbraw/zinc/30/66/19/608306619.db2.gz KGCAVAMONJYSIK-HNNXBMFYSA-N -1 3 394.395 0.966 20 0 GCADHM COCCCOCCN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826157179 608308579 /nfs/dbraw/zinc/30/85/79/608308579.db2.gz KRAJBNRHBJXYSX-UHFFFAOYSA-N -1 3 391.400 0.819 20 0 GCADHM COCCCOCCN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826157179 608308581 /nfs/dbraw/zinc/30/85/81/608308581.db2.gz KRAJBNRHBJXYSX-UHFFFAOYSA-N -1 3 391.400 0.819 20 0 GCADHM COCC(=O)N1CCN(Cc2c(-c3nnn[n-]3)c(C)nn2-c2ccccc2)CC1 ZINC000826147994 608308663 /nfs/dbraw/zinc/30/86/63/608308663.db2.gz ULVOIKDIXNMMMH-UHFFFAOYSA-N -1 3 396.455 0.651 20 0 GCADHM CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826227994 608314816 /nfs/dbraw/zinc/31/48/16/608314816.db2.gz AUPZKFWTDVEQMK-LLVKDONJSA-N -1 3 375.414 0.479 20 0 GCADHM CSCC[C@H]1NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826227994 608314818 /nfs/dbraw/zinc/31/48/18/608314818.db2.gz AUPZKFWTDVEQMK-LLVKDONJSA-N -1 3 375.414 0.479 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CC[C@]3(C2)NC(=O)NC3=O)c1-c1nnn[n-]1 ZINC000826332612 608317292 /nfs/dbraw/zinc/31/72/92/608317292.db2.gz ZMBFBXADCPPLFQ-GOSISDBHSA-N -1 3 393.411 0.145 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826454217 608317522 /nfs/dbraw/zinc/31/75/22/608317522.db2.gz NOSIDGUFWMZJMC-UHFFFAOYSA-N -1 3 397.361 0.744 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826454217 608317524 /nfs/dbraw/zinc/31/75/24/608317524.db2.gz NOSIDGUFWMZJMC-UHFFFAOYSA-N -1 3 397.361 0.744 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000826168411 608325544 /nfs/dbraw/zinc/32/55/44/608325544.db2.gz LVNKJSGJWTUZCY-AWEZNQCLSA-N -1 3 381.396 0.727 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000826168411 608325546 /nfs/dbraw/zinc/32/55/46/608325546.db2.gz LVNKJSGJWTUZCY-AWEZNQCLSA-N -1 3 381.396 0.727 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000825961654 608327095 /nfs/dbraw/zinc/32/70/95/608327095.db2.gz KPCTVYAKGBFWBN-UHFFFAOYSA-N -1 3 394.457 0.382 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000825961654 608327097 /nfs/dbraw/zinc/32/70/97/608327097.db2.gz KPCTVYAKGBFWBN-UHFFFAOYSA-N -1 3 394.457 0.382 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000825034376 608328117 /nfs/dbraw/zinc/32/81/17/608328117.db2.gz ITZVRMQOWABGEB-UHFFFAOYSA-N -1 3 396.448 0.780 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000825034376 608328119 /nfs/dbraw/zinc/32/81/19/608328119.db2.gz ITZVRMQOWABGEB-UHFFFAOYSA-N -1 3 396.448 0.780 20 0 GCADHM O=S(=O)(NCc1cccc(-c2nnn[n-]2)c1)N1CCC2(CC1)OCCO2 ZINC000826492258 608329718 /nfs/dbraw/zinc/32/97/18/608329718.db2.gz ZXEVGHPHGUTMOA-UHFFFAOYSA-N -1 3 380.430 0.040 20 0 GCADHM O=S(=O)(NCc1cccc(-c2nn[n-]n2)c1)N1CCC2(CC1)OCCO2 ZINC000826492258 608329719 /nfs/dbraw/zinc/32/97/19/608329719.db2.gz ZXEVGHPHGUTMOA-UHFFFAOYSA-N -1 3 380.430 0.040 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCN(CC(F)F)CC1 ZINC000826485581 608330588 /nfs/dbraw/zinc/33/05/88/608330588.db2.gz VXYOTTHZZAZFSX-UHFFFAOYSA-N -1 3 390.391 0.718 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCN(CC(F)F)CC1 ZINC000826485581 608330589 /nfs/dbraw/zinc/33/05/89/608330589.db2.gz VXYOTTHZZAZFSX-UHFFFAOYSA-N -1 3 390.391 0.718 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824214421 608331067 /nfs/dbraw/zinc/33/10/67/608331067.db2.gz GFBJMYRURKUEAP-ZDUSSCGKSA-N -1 3 382.421 0.292 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824214421 608331069 /nfs/dbraw/zinc/33/10/69/608331069.db2.gz GFBJMYRURKUEAP-ZDUSSCGKSA-N -1 3 382.421 0.292 20 0 GCADHM CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826060884 608331977 /nfs/dbraw/zinc/33/19/77/608331977.db2.gz VOOQUNRCSWOTOI-LLVKDONJSA-N -1 3 382.421 0.294 20 0 GCADHM CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826060884 608331978 /nfs/dbraw/zinc/33/19/78/608331978.db2.gz VOOQUNRCSWOTOI-LLVKDONJSA-N -1 3 382.421 0.294 20 0 GCADHM CC(C)N1CC[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC000824296147 608332502 /nfs/dbraw/zinc/33/25/02/608332502.db2.gz DYYWKYUIMAKIGB-CYBMUJFWSA-N -1 3 382.421 0.435 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NC[C@@H](CO)Cc1ccco1 ZINC000826486028 608334996 /nfs/dbraw/zinc/33/49/96/608334996.db2.gz MDGHMUFWEXNDHT-NSHDSACASA-N -1 3 395.416 0.869 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NC[C@@H](CO)Cc1ccco1 ZINC000826486028 608334998 /nfs/dbraw/zinc/33/49/98/608334998.db2.gz MDGHMUFWEXNDHT-NSHDSACASA-N -1 3 395.416 0.869 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1=O ZINC000824901625 608335798 /nfs/dbraw/zinc/33/57/98/608335798.db2.gz ZOGOWVYNHHILRO-GAJTVXKRSA-N -1 3 394.432 0.435 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H](n2cncn2)C1 ZINC000826485517 608336852 /nfs/dbraw/zinc/33/68/52/608336852.db2.gz UFJBPEJCIZYZPM-ZDUSSCGKSA-N -1 3 392.420 0.764 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H](n2cncn2)C1 ZINC000826485517 608336853 /nfs/dbraw/zinc/33/68/53/608336853.db2.gz UFJBPEJCIZYZPM-ZDUSSCGKSA-N -1 3 392.420 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20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](C3OCCO3)C2)cccc1-c1nnn[n-]1 ZINC000826241066 608360496 /nfs/dbraw/zinc/36/04/96/608360496.db2.gz QBFKPQLLBNHVCX-GFCCVEGCSA-N -1 3 386.412 0.725 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](C3OCCO3)C2)cccc1-c1nn[n-]n1 ZINC000826241066 608360498 /nfs/dbraw/zinc/36/04/98/608360498.db2.gz QBFKPQLLBNHVCX-GFCCVEGCSA-N -1 3 386.412 0.725 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2cncnc2N)cc1-c1nnn[n-]1 ZINC000824324430 608360674 /nfs/dbraw/zinc/36/06/74/608360674.db2.gz ODVAXHKMZQUCNE-UHFFFAOYSA-N -1 3 397.399 0.281 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCc2cncnc2N)cc1-c1nn[n-]n1 ZINC000824324430 608360676 /nfs/dbraw/zinc/36/06/76/608360676.db2.gz ODVAXHKMZQUCNE-UHFFFAOYSA-N -1 3 397.399 0.281 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)O1 ZINC000824813013 608361205 /nfs/dbraw/zinc/36/12/05/608361205.db2.gz SZXYPGIQIHCBQO-SECBINFHSA-N -1 3 380.792 0.726 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)O1 ZINC000824813013 608361207 /nfs/dbraw/zinc/36/12/07/608361207.db2.gz SZXYPGIQIHCBQO-SECBINFHSA-N -1 3 380.792 0.726 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C[C@@H]1O ZINC000824967029 608361621 /nfs/dbraw/zinc/36/16/21/608361621.db2.gz GQEDZADCMCHBFV-XCBNKYQSSA-N -1 3 382.327 0.246 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C[C@@H]1O ZINC000824967029 608361623 /nfs/dbraw/zinc/36/16/23/608361623.db2.gz GQEDZADCMCHBFV-XCBNKYQSSA-N -1 3 382.327 0.246 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O ZINC000826171646 608362040 /nfs/dbraw/zinc/36/20/40/608362040.db2.gz TVGJOCOXOZGSGO-YGRLFVJLSA-N -1 3 391.428 0.830 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O ZINC000826171646 608362042 /nfs/dbraw/zinc/36/20/42/608362042.db2.gz TVGJOCOXOZGSGO-YGRLFVJLSA-N -1 3 391.428 0.830 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O ZINC000826171706 608362224 /nfs/dbraw/zinc/36/22/24/608362224.db2.gz 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CC[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC000825202951 608363892 /nfs/dbraw/zinc/36/38/92/608363892.db2.gz LPIKXGZHMBXVGW-FZMZJTMJSA-N -1 3 388.428 0.822 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC000825202951 608363895 /nfs/dbraw/zinc/36/38/95/608363895.db2.gz LPIKXGZHMBXVGW-FZMZJTMJSA-N -1 3 388.428 0.822 20 0 GCADHM O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826434940 608364518 /nfs/dbraw/zinc/36/45/18/608364518.db2.gz BTNUBKSEKVXKAA-NSHDSACASA-N -1 3 390.375 0.746 20 0 GCADHM O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826434940 608364520 /nfs/dbraw/zinc/36/45/20/608364520.db2.gz BTNUBKSEKVXKAA-NSHDSACASA-N -1 3 390.375 0.746 20 0 GCADHM CN(CCCNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC(F)(F)F ZINC000825918914 608367794 /nfs/dbraw/zinc/36/77/94/608367794.db2.gz OYKLTFADQFIGOF-UHFFFAOYSA-N -1 3 393.395 0.810 20 0 GCADHM CN(CCCNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC(F)(F)F ZINC000825918914 608367796 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/nfs/dbraw/zinc/56/32/48/608563248.db2.gz BMJQBBFCUAIXRJ-OIBJUYFYSA-N -1 3 377.348 0.887 20 0 GCADHM C[C@@H](CNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)S(N)(=O)=O ZINC000824429476 608564227 /nfs/dbraw/zinc/56/42/27/608564227.db2.gz XRMNEWXPYWBCLE-NSHDSACASA-N -1 3 386.437 0.941 20 0 GCADHM C[C@@H](CNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1)S(N)(=O)=O ZINC000824429476 608564229 /nfs/dbraw/zinc/56/42/29/608564229.db2.gz XRMNEWXPYWBCLE-NSHDSACASA-N -1 3 386.437 0.941 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000824206210 608564670 /nfs/dbraw/zinc/56/46/70/608564670.db2.gz BCHFWNHFCHYUAK-ZWNOBZJWSA-N -1 3 382.446 0.063 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000824206210 608564671 /nfs/dbraw/zinc/56/46/71/608564671.db2.gz BCHFWNHFCHYUAK-ZWNOBZJWSA-N -1 3 382.446 0.063 20 0 GCADHM CCOC(=O)C1(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000825493815 608565190 /nfs/dbraw/zinc/56/51/90/608565190.db2.gz OBUMERBUAKJLLD-UHFFFAOYSA-N -1 3 387.396 0.760 20 0 GCADHM CCOC(=O)C1(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000825493815 608565192 /nfs/dbraw/zinc/56/51/92/608565192.db2.gz OBUMERBUAKJLLD-UHFFFAOYSA-N -1 3 387.396 0.760 20 0 GCADHM NC(=O)CCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826390884 608566001 /nfs/dbraw/zinc/56/60/01/608566001.db2.gz QCRZWTJCUVOKJA-UHFFFAOYSA-N -1 3 392.363 0.819 20 0 GCADHM NC(=O)CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826390884 608566002 /nfs/dbraw/zinc/56/60/02/608566002.db2.gz QCRZWTJCUVOKJA-UHFFFAOYSA-N -1 3 392.363 0.819 20 0 GCADHM CN(C)C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000825855600 608566633 /nfs/dbraw/zinc/56/66/33/608566633.db2.gz IFDOXWMLNCDZJR-UHFFFAOYSA-N -1 3 376.364 0.820 20 0 GCADHM CN(C)C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000825855600 608566635 /nfs/dbraw/zinc/56/66/35/608566635.db2.gz IFDOXWMLNCDZJR-UHFFFAOYSA-N -1 3 376.364 0.820 20 0 GCADHM O=S(=O)(NC[C@H](O)c1ccccn1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826489583 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KVZCNMXQZFXQDC-CYBMUJFWSA-N -1 3 394.819 0.723 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCCC1CCS(=O)(=O)CC1 ZINC000826413632 608634669 /nfs/dbraw/zinc/63/46/69/608634669.db2.gz MBTXIWKWNZIXJN-UHFFFAOYSA-N -1 3 379.446 0.005 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCCC1CCS(=O)(=O)CC1 ZINC000826413632 608634671 /nfs/dbraw/zinc/63/46/71/608634671.db2.gz MBTXIWKWNZIXJN-UHFFFAOYSA-N -1 3 379.446 0.005 20 0 GCADHM Cn1cc(OC(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826362528 608672313 /nfs/dbraw/zinc/67/23/13/608672313.db2.gz WRAQYXXMCNYCPN-ZDUSSCGKSA-N -1 3 396.367 0.411 20 0 GCADHM Cn1cc(OC(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826362528 608672318 /nfs/dbraw/zinc/67/23/18/608672318.db2.gz WRAQYXXMCNYCPN-ZDUSSCGKSA-N -1 3 396.367 0.411 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2 ZINC000825875321 608682634 /nfs/dbraw/zinc/68/26/34/608682634.db2.gz KMWMEHSDMKTEMV-UHFFFAOYSA-N -1 3 376.428 0.929 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2 ZINC000825875321 608682636 /nfs/dbraw/zinc/68/26/36/608682636.db2.gz KMWMEHSDMKTEMV-UHFFFAOYSA-N -1 3 376.428 0.929 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)C1 ZINC000826084043 608702309 /nfs/dbraw/zinc/70/23/09/608702309.db2.gz UKDADKMAHOOKBY-ZDUSSCGKSA-N -1 3 376.446 0.028 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)C1 ZINC000826084043 608702311 /nfs/dbraw/zinc/70/23/11/608702311.db2.gz UKDADKMAHOOKBY-ZDUSSCGKSA-N -1 3 376.446 0.028 20 0 GCADHM NS(=O)(=O)c1ccc(O)c(C(=O)OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826395287 608767262 /nfs/dbraw/zinc/76/72/62/608767262.db2.gz VMUYVXWSYSXXBW-UHFFFAOYSA-N -1 3 375.366 0.577 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000826184207 608769588 /nfs/dbraw/zinc/76/95/88/608769588.db2.gz OEQKMZSMEPTKGQ-UHFFFAOYSA-N -1 3 390.381 0.275 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)nc1 ZINC000826394225 608772169 /nfs/dbraw/zinc/77/21/69/608772169.db2.gz BPQYREROTXZNGD-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)nc1 ZINC000826394225 608772171 /nfs/dbraw/zinc/77/21/71/608772171.db2.gz BPQYREROTXZNGD-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM COC(=O)C1(O)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CC1 ZINC000826129266 608809450 /nfs/dbraw/zinc/80/94/50/608809450.db2.gz NWWCRLHKMWAXSW-UHFFFAOYSA-N -1 3 376.373 0.407 20 0 GCADHM COC(=O)C1(O)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000826129266 608809451 /nfs/dbraw/zinc/80/94/51/608809451.db2.gz NWWCRLHKMWAXSW-UHFFFAOYSA-N -1 3 376.373 0.407 20 0 GCADHM O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826432757 608818122 /nfs/dbraw/zinc/81/81/22/608818122.db2.gz JVXFIEHZVQMEDD-NSHDSACASA-N -1 3 381.824 0.335 20 0 GCADHM O=C(NC[C@H](O)CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826432757 608818124 /nfs/dbraw/zinc/81/81/24/608818124.db2.gz JVXFIEHZVQMEDD-NSHDSACASA-N -1 3 381.824 0.335 20 0 GCADHM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1sccc1-c1nnn[n-]1 ZINC000826481874 608824421 /nfs/dbraw/zinc/82/44/21/608824421.db2.gz KPGOZXHUHVFLHG-LLVKDONJSA-N -1 3 383.393 0.931 20 0 GCADHM O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1sccc1-c1nn[n-]n1 ZINC000826481874 608824423 /nfs/dbraw/zinc/82/44/23/608824423.db2.gz KPGOZXHUHVFLHG-LLVKDONJSA-N -1 3 383.393 0.931 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(N(C)C)nc1 ZINC000824999748 608839988 /nfs/dbraw/zinc/83/99/88/608839988.db2.gz JBVHUJAGNDZFCF-ZDUSSCGKSA-N -1 3 380.460 0.828 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(N(C)C)nc1 ZINC000824999748 608839989 /nfs/dbraw/zinc/83/99/89/608839989.db2.gz JBVHUJAGNDZFCF-ZDUSSCGKSA-N -1 3 380.460 0.828 20 0 GCADHM C[C@@]1(CCC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCC(=O)N1 ZINC000824816309 608873134 /nfs/dbraw/zinc/87/31/34/608873134.db2.gz BCWVFYFBQGYCBO-SFHVURJKSA-N -1 3 384.444 0.359 20 0 GCADHM C[C@@]1(CCC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCC(=O)N1 ZINC000824816309 608873137 /nfs/dbraw/zinc/87/31/37/608873137.db2.gz BCWVFYFBQGYCBO-SFHVURJKSA-N -1 3 384.444 0.359 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CC(=O)C2CCOCC2)C1=O ZINC000824844130 608884630 /nfs/dbraw/zinc/88/46/30/608884630.db2.gz QFPCFAKFPPYONM-SFHVURJKSA-N -1 3 384.396 0.629 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CC(=O)C2CCOCC2)C1=O ZINC000824844130 608884632 /nfs/dbraw/zinc/88/46/32/608884632.db2.gz QFPCFAKFPPYONM-SFHVURJKSA-N -1 3 384.396 0.629 20 0 GCADHM O=C(Cn1ccnc1-c1nnn[n-]1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000826425157 608890876 /nfs/dbraw/zinc/89/08/76/608890876.db2.gz RSKPWTCTFAFCHB-UHFFFAOYSA-N -1 3 394.439 0.343 20 0 GCADHM COCCOCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826160876 609134132 /nfs/dbraw/zinc/13/41/32/609134132.db2.gz KKYDDZKCDCKALH-OAHLLOKOSA-N -1 3 388.428 0.531 20 0 GCADHM COCCOCCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826160876 609134134 /nfs/dbraw/zinc/13/41/34/609134134.db2.gz KKYDDZKCDCKALH-OAHLLOKOSA-N -1 3 388.428 0.531 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1=O ZINC000824300999 609136902 /nfs/dbraw/zinc/13/69/02/609136902.db2.gz PXDBKNHHTVEXGX-UHFFFAOYSA-N -1 3 391.819 0.538 20 0 GCADHM CC(C)N1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1=O ZINC000824300999 609136904 /nfs/dbraw/zinc/13/69/04/609136904.db2.gz PXDBKNHHTVEXGX-UHFFFAOYSA-N -1 3 391.819 0.538 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCCCOCCO)cc1-c1nnn[n-]1 ZINC000824325044 609136930 /nfs/dbraw/zinc/13/69/30/609136930.db2.gz YPPZIOZMOATKSQ-UHFFFAOYSA-N -1 3 392.416 0.108 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NCCCOCCO)cc1-c1nn[n-]n1 ZINC000824325044 609136932 /nfs/dbraw/zinc/13/69/32/609136932.db2.gz YPPZIOZMOATKSQ-UHFFFAOYSA-N -1 3 392.416 0.108 20 0 GCADHM Cc1nnc(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)s1 ZINC000826335497 609138289 /nfs/dbraw/zinc/13/82/89/609138289.db2.gz PMSKWCPCTYJRBU-UHFFFAOYSA-N -1 3 378.805 0.935 20 0 GCADHM Cc1nnc(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)s1 ZINC000826335497 609138290 /nfs/dbraw/zinc/13/82/90/609138290.db2.gz PMSKWCPCTYJRBU-UHFFFAOYSA-N -1 3 378.805 0.935 20 0 GCADHM CN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)Cc1cnc(N(C)C)nc1 ZINC000825892048 609140484 /nfs/dbraw/zinc/14/04/84/609140484.db2.gz DABFYNBOWKIBPM-UHFFFAOYSA-N -1 3 381.444 0.471 20 0 GCADHM CN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)Cc1cnc(N(C)C)nc1 ZINC000825892048 609140486 /nfs/dbraw/zinc/14/04/86/609140486.db2.gz DABFYNBOWKIBPM-UHFFFAOYSA-N -1 3 381.444 0.471 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826132089 609144223 /nfs/dbraw/zinc/14/42/23/609144223.db2.gz AVJHVUSHWNZPKF-SMDDNHRTSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826132089 609144225 /nfs/dbraw/zinc/14/42/25/609144225.db2.gz AVJHVUSHWNZPKF-SMDDNHRTSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)[C@H](C(=O)OC)C1 ZINC000826133323 609144299 /nfs/dbraw/zinc/14/42/99/609144299.db2.gz LLEZWXBJDKMWJP-YGRLFVJLSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)[C@H](C(=O)OC)C1 ZINC000826133323 609144301 /nfs/dbraw/zinc/14/43/01/609144301.db2.gz LLEZWXBJDKMWJP-YGRLFVJLSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(-c2nnn[n-]2)ccc1OC ZINC000826133268 609144367 /nfs/dbraw/zinc/14/43/67/609144367.db2.gz LDGWUFWPHFKCRL-GXTWGEPZSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000826133268 609144368 /nfs/dbraw/zinc/14/43/68/609144368.db2.gz LDGWUFWPHFKCRL-GXTWGEPZSA-N -1 3 389.412 0.802 20 0 GCADHM CC(C)N1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1=O ZINC000824301237 609147583 /nfs/dbraw/zinc/14/75/83/609147583.db2.gz UKMXDFKZGOJUNX-LBPRGKRZSA-N -1 3 375.458 0.586 20 0 GCADHM CC(C)N1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1=O ZINC000824301237 609147584 /nfs/dbraw/zinc/14/75/84/609147584.db2.gz UKMXDFKZGOJUNX-LBPRGKRZSA-N -1 3 375.458 0.586 20 0 GCADHM CCN(CC(=O)N(C)C)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825394740 609147754 /nfs/dbraw/zinc/14/77/54/609147754.db2.gz HDNHNMPOKUTWIR-UHFFFAOYSA-N -1 3 382.428 0.911 20 0 GCADHM CCN(CC(=O)N(C)C)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825394740 609147756 /nfs/dbraw/zinc/14/77/56/609147756.db2.gz HDNHNMPOKUTWIR-UHFFFAOYSA-N -1 3 382.428 0.911 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259118 609152215 /nfs/dbraw/zinc/15/22/15/609152215.db2.gz IDQNDHLRVMHDJE-OAHLLOKOSA-N -1 3 382.428 0.421 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(C)CCO2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259118 609152216 /nfs/dbraw/zinc/15/22/16/609152216.db2.gz IDQNDHLRVMHDJE-OAHLLOKOSA-N -1 3 382.428 0.421 20 0 GCADHM COC(=O)[C@@H](OC(=O)CN1CCSC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117470 609161697 /nfs/dbraw/zinc/16/16/97/609161697.db2.gz MFBCRURYSZCIGT-LBPRGKRZSA-N -1 3 377.382 0.793 20 0 GCADHM COC(=O)[C@@H](OC(=O)CN1CCSC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117470 609161698 /nfs/dbraw/zinc/16/16/98/609161698.db2.gz MFBCRURYSZCIGT-LBPRGKRZSA-N -1 3 377.382 0.793 20 0 GCADHM COCC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826153659 609161712 /nfs/dbraw/zinc/16/17/12/609161712.db2.gz VZAOFDQEUWVVHO-GOSISDBHSA-N -1 3 385.428 0.878 20 0 GCADHM COCC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826153659 609161713 /nfs/dbraw/zinc/16/17/13/609161713.db2.gz VZAOFDQEUWVVHO-GOSISDBHSA-N -1 3 385.428 0.878 20 0 GCADHM CNC(=O)[C@@H](C)CN(C)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826051315 609161774 /nfs/dbraw/zinc/16/17/74/609161774.db2.gz KFJOMTTWADJRII-NSHDSACASA-N -1 3 382.428 0.815 20 0 GCADHM CNC(=O)[C@@H](C)CN(C)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826051315 609161775 /nfs/dbraw/zinc/16/17/75/609161775.db2.gz KFJOMTTWADJRII-NSHDSACASA-N -1 3 382.428 0.815 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)NC[C@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258680 609161998 /nfs/dbraw/zinc/16/19/98/609161998.db2.gz SDTPZIQJNWJTBZ-AWEZNQCLSA-N -1 3 393.411 0.210 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)NC[C@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258680 609161999 /nfs/dbraw/zinc/16/19/99/609161999.db2.gz SDTPZIQJNWJTBZ-AWEZNQCLSA-N -1 3 393.411 0.210 20 0 GCADHM Cc1cc(C(=O)NC[C@@H](O)COCC2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259105 609162135 /nfs/dbraw/zinc/16/21/35/609162135.db2.gz HNVHYRDRCVKFIN-MRXNPFEDSA-N -1 3 397.439 0.878 20 0 GCADHM Cc1cc(C(=O)NC[C@@H](O)COCC2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259105 609162137 /nfs/dbraw/zinc/16/21/37/609162137.db2.gz HNVHYRDRCVKFIN-MRXNPFEDSA-N -1 3 397.439 0.878 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258186 609162951 /nfs/dbraw/zinc/16/29/51/609162951.db2.gz CYLTXMZBGGJLRI-CQSZACIVSA-N -1 3 394.395 0.637 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258186 609162952 /nfs/dbraw/zinc/16/29/52/609162952.db2.gz CYLTXMZBGGJLRI-CQSZACIVSA-N -1 3 394.395 0.637 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258077 609163372 /nfs/dbraw/zinc/16/33/72/609163372.db2.gz YNXDSESMPYLIRD-WFASDCNBSA-N -1 3 383.412 0.583 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258077 609163373 /nfs/dbraw/zinc/16/33/73/609163373.db2.gz YNXDSESMPYLIRD-WFASDCNBSA-N -1 3 383.412 0.583 20 0 GCADHM C[C@H](CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21)S(N)(=O)=O ZINC000824427766 609165944 /nfs/dbraw/zinc/16/59/44/609165944.db2.gz OPGBXKNFHDYXEC-ZCFIWIBFSA-N -1 3 385.812 0.718 20 0 GCADHM C[C@H](CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21)S(N)(=O)=O ZINC000824427766 609165945 /nfs/dbraw/zinc/16/59/45/609165945.db2.gz OPGBXKNFHDYXEC-ZCFIWIBFSA-N -1 3 385.812 0.718 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CC[C@@H](C)O2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559917 609169163 /nfs/dbraw/zinc/16/91/63/609169163.db2.gz LNVOYIFZTZPHHE-PWSUYJOCSA-N -1 3 392.416 0.997 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CC[C@@H](C)O2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559917 609169165 /nfs/dbraw/zinc/16/91/65/609169165.db2.gz LNVOYIFZTZPHHE-PWSUYJOCSA-N -1 3 392.416 0.997 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCCCO2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560702 609169195 /nfs/dbraw/zinc/16/91/95/609169195.db2.gz VTVRMRZUVUFWEO-LBPRGKRZSA-N -1 3 392.416 0.999 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCCCO2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560702 609169196 /nfs/dbraw/zinc/16/91/96/609169196.db2.gz VTVRMRZUVUFWEO-LBPRGKRZSA-N -1 3 392.416 0.999 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000824206855 609174739 /nfs/dbraw/zinc/17/47/39/609174739.db2.gz KOMHPNQHHQGSRW-OAHLLOKOSA-N -1 3 398.427 0.539 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000824206855 609174742 /nfs/dbraw/zinc/17/47/42/609174742.db2.gz KOMHPNQHHQGSRW-OAHLLOKOSA-N -1 3 398.427 0.539 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826174623 609177208 /nfs/dbraw/zinc/17/72/08/609177208.db2.gz DGGIROIMAFQIAX-LLVKDONJSA-N -1 3 386.412 0.381 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826174623 609177210 /nfs/dbraw/zinc/17/72/10/609177210.db2.gz DGGIROIMAFQIAX-LLVKDONJSA-N -1 3 386.412 0.381 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)NC(=O)N[C@@H](C)COC ZINC000825480826 609178021 /nfs/dbraw/zinc/17/80/21/609178021.db2.gz MTKLFLCIZIKQAP-JTQLQIEISA-N -1 3 376.421 0.571 20 0 GCADHM O=C(CCn1cncn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826409634 609179163 /nfs/dbraw/zinc/17/91/63/609179163.db2.gz IJFDQHQZOYTHRO-AWEZNQCLSA-N -1 3 381.400 0.160 20 0 GCADHM O=C(CCn1cncn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826409634 609179165 /nfs/dbraw/zinc/17/91/65/609179165.db2.gz IJFDQHQZOYTHRO-AWEZNQCLSA-N -1 3 381.400 0.160 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc(=O)[nH]n1 ZINC000826431167 609179525 /nfs/dbraw/zinc/17/95/25/609179525.db2.gz TVBRZJPYJPRFHH-ZDUSSCGKSA-N -1 3 380.368 0.288 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc(=O)[nH]n1 ZINC000826431167 609179527 /nfs/dbraw/zinc/17/95/27/609179527.db2.gz TVBRZJPYJPRFHH-ZDUSSCGKSA-N -1 3 380.368 0.288 20 0 GCADHM C[C@H](CCCO)NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824402598 609179531 /nfs/dbraw/zinc/17/95/31/609179531.db2.gz XKBDXICLCJJZDN-DOMZBBRYSA-N -1 3 387.444 0.822 20 0 GCADHM C[C@H](CCCO)NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824402598 609179532 /nfs/dbraw/zinc/17/95/32/609179532.db2.gz XKBDXICLCJJZDN-DOMZBBRYSA-N -1 3 387.444 0.822 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc(=O)[nH]n1 ZINC000826431166 609179804 /nfs/dbraw/zinc/17/98/04/609179804.db2.gz TVBRZJPYJPRFHH-CYBMUJFWSA-N -1 3 380.368 0.288 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc(=O)[nH]n1 ZINC000826431166 609179805 /nfs/dbraw/zinc/17/98/05/609179805.db2.gz TVBRZJPYJPRFHH-CYBMUJFWSA-N -1 3 380.368 0.288 20 0 GCADHM CCc1nnc2n1C[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)CC2 ZINC000825771564 609179907 /nfs/dbraw/zinc/17/99/07/609179907.db2.gz MLJOILQXEYVPTF-NSHDSACASA-N -1 3 397.447 0.142 20 0 GCADHM CCc1nnc2n1C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)CC2 ZINC000825771564 609179909 /nfs/dbraw/zinc/17/99/09/609179909.db2.gz MLJOILQXEYVPTF-NSHDSACASA-N -1 3 397.447 0.142 20 0 GCADHM CCc1nnc2n1C[C@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)CC2 ZINC000825771562 609179958 /nfs/dbraw/zinc/17/99/58/609179958.db2.gz MLJOILQXEYVPTF-LLVKDONJSA-N -1 3 397.447 0.142 20 0 GCADHM CCc1nnc2n1C[C@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)CC2 ZINC000825771562 609179960 /nfs/dbraw/zinc/17/99/60/609179960.db2.gz MLJOILQXEYVPTF-LLVKDONJSA-N -1 3 397.447 0.142 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)no1 ZINC000826324708 609180523 /nfs/dbraw/zinc/18/05/23/609180523.db2.gz BRWMZUDPSWOYNO-ZDUSSCGKSA-N -1 3 388.363 0.980 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)no1 ZINC000826324708 609180524 /nfs/dbraw/zinc/18/05/24/609180524.db2.gz BRWMZUDPSWOYNO-ZDUSSCGKSA-N -1 3 388.363 0.980 20 0 GCADHM C[C@@H](CCCO)NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824402606 609181194 /nfs/dbraw/zinc/18/11/94/609181194.db2.gz XKBDXICLCJJZDN-WFASDCNBSA-N -1 3 387.444 0.822 20 0 GCADHM C[C@@H](CCCO)NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824402606 609181196 /nfs/dbraw/zinc/18/11/96/609181196.db2.gz XKBDXICLCJJZDN-WFASDCNBSA-N -1 3 387.444 0.822 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1-c1nnn[n-]1 ZINC000826200036 609182037 /nfs/dbraw/zinc/18/20/37/609182037.db2.gz WGSFCIVVJHXVLL-LBPRGKRZSA-N -1 3 385.428 0.685 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1-c1nn[n-]n1 ZINC000826200036 609182040 /nfs/dbraw/zinc/18/20/40/609182040.db2.gz WGSFCIVVJHXVLL-LBPRGKRZSA-N -1 3 385.428 0.685 20 0 GCADHM COCCOc1cc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)ccn1 ZINC000826161044 609185159 /nfs/dbraw/zinc/18/51/59/609185159.db2.gz QSKHPWOTUVNUNW-UHFFFAOYSA-N -1 3 388.413 0.841 20 0 GCADHM COCCOc1cc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)ccn1 ZINC000826161044 609185160 /nfs/dbraw/zinc/18/51/60/609185160.db2.gz QSKHPWOTUVNUNW-UHFFFAOYSA-N -1 3 388.413 0.841 20 0 GCADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc(F)c(F)c1 ZINC000826411615 609185487 /nfs/dbraw/zinc/18/54/87/609185487.db2.gz GGJHSFFVENVIDC-OAHLLOKOSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc(F)c(F)c1 ZINC000826411615 609185488 /nfs/dbraw/zinc/18/54/88/609185488.db2.gz GGJHSFFVENVIDC-OAHLLOKOSA-N -1 3 388.334 0.933 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000825971782 609187815 /nfs/dbraw/zinc/18/78/15/609187815.db2.gz OAVZIPJKVXBEAF-OAHLLOKOSA-N -1 3 388.428 0.930 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000825971782 609187817 /nfs/dbraw/zinc/18/78/17/609187817.db2.gz OAVZIPJKVXBEAF-OAHLLOKOSA-N -1 3 388.428 0.930 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000825958257 609187820 /nfs/dbraw/zinc/18/78/20/609187820.db2.gz PIGNGAUVDVTICQ-OAHLLOKOSA-N -1 3 388.428 0.930 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000825958257 609187822 /nfs/dbraw/zinc/18/78/22/609187822.db2.gz PIGNGAUVDVTICQ-OAHLLOKOSA-N -1 3 388.428 0.930 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2cccc(O)c2)CC1 ZINC000826397809 609188245 /nfs/dbraw/zinc/18/82/45/609188245.db2.gz KYNPBLDGOZECOX-KRWDZBQOSA-N -1 3 380.408 0.955 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cccc(O)c2)CC1 ZINC000826397809 609188247 /nfs/dbraw/zinc/18/82/47/609188247.db2.gz KYNPBLDGOZECOX-KRWDZBQOSA-N -1 3 380.408 0.955 20 0 GCADHM C[C@@H]1CN(C(C)(C)CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000824976120 609189120 /nfs/dbraw/zinc/18/91/20/609189120.db2.gz NDSAVOURGRTOFA-DVOMOZLQSA-N -1 3 388.472 0.904 20 0 GCADHM CC(C)CNC(=O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824266010 609190189 /nfs/dbraw/zinc/19/01/89/609190189.db2.gz BDLHGDHOZWHHHT-MRXNPFEDSA-N -1 3 386.456 0.911 20 0 GCADHM CC(C)CNC(=O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824266010 609190191 /nfs/dbraw/zinc/19/01/91/609190191.db2.gz BDLHGDHOZWHHHT-MRXNPFEDSA-N -1 3 386.456 0.911 20 0 GCADHM O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826454736 609191526 /nfs/dbraw/zinc/19/15/26/609191526.db2.gz JAOQFNYQQBCRAD-INIZCTEOSA-N -1 3 381.396 0.770 20 0 GCADHM O=C(Nc1ccc(N2CCOCC2)cn1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826454736 609191527 /nfs/dbraw/zinc/19/15/27/609191527.db2.gz JAOQFNYQQBCRAD-INIZCTEOSA-N -1 3 381.396 0.770 20 0 GCADHM CCCN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825300943 609191834 /nfs/dbraw/zinc/19/18/34/609191834.db2.gz GABHYSYTZKERDF-KGLIPLIRSA-N -1 3 379.442 0.326 20 0 GCADHM CCCN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825300943 609191836 /nfs/dbraw/zinc/19/18/36/609191836.db2.gz GABHYSYTZKERDF-KGLIPLIRSA-N -1 3 379.442 0.326 20 0 GCADHM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826441851 609193977 /nfs/dbraw/zinc/19/39/77/609193977.db2.gz YHBGAHMHFQSNRR-UHFFFAOYSA-N -1 3 381.396 0.597 20 0 GCADHM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826441851 609193980 /nfs/dbraw/zinc/19/39/80/609193980.db2.gz YHBGAHMHFQSNRR-UHFFFAOYSA-N -1 3 381.396 0.597 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)Nc1ccccc1 ZINC000826411058 609194239 /nfs/dbraw/zinc/19/42/39/609194239.db2.gz JNOHJUSRLQBKCP-UHFFFAOYSA-N -1 3 380.412 0.591 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)Nc1ccccc1 ZINC000826411058 609194240 /nfs/dbraw/zinc/19/42/40/609194240.db2.gz JNOHJUSRLQBKCP-UHFFFAOYSA-N -1 3 380.412 0.591 20 0 GCADHM Cn1ccnc1[C@@](O)(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000826364110 609196734 /nfs/dbraw/zinc/19/67/34/609196734.db2.gz LNXOOLQCEALXKA-ZDUSSCGKSA-N -1 3 384.322 0.498 20 0 GCADHM Cn1ccnc1[C@@](O)(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000826364110 609196736 /nfs/dbraw/zinc/19/67/36/609196736.db2.gz LNXOOLQCEALXKA-ZDUSSCGKSA-N -1 3 384.322 0.498 20 0 GCADHM O=C(Nc1cccc(N2C(=O)CNC2=O)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456613 609197037 /nfs/dbraw/zinc/19/70/37/609197037.db2.gz OGNLBNBMOXJURZ-HNNXBMFYSA-N -1 3 393.363 0.595 20 0 GCADHM O=C(Nc1cccc(N2C(=O)CNC2=O)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456613 609197038 /nfs/dbraw/zinc/19/70/38/609197038.db2.gz OGNLBNBMOXJURZ-HNNXBMFYSA-N -1 3 393.363 0.595 20 0 GCADHM O=C(NCc1cccnc1-n1cccn1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443611 609197233 /nfs/dbraw/zinc/19/72/33/609197233.db2.gz WVXXQZJWRZCOSQ-HNNXBMFYSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1cccnc1-n1cccn1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443611 609197235 /nfs/dbraw/zinc/19/72/35/609197235.db2.gz WVXXQZJWRZCOSQ-HNNXBMFYSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431112 609201209 /nfs/dbraw/zinc/20/12/09/609201209.db2.gz RTJZSDLBWAFJHP-LSDHHAIUSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431112 609201210 /nfs/dbraw/zinc/20/12/10/609201210.db2.gz RTJZSDLBWAFJHP-LSDHHAIUSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000826469525 609201720 /nfs/dbraw/zinc/20/17/20/609201720.db2.gz JQJSYVMRGJSGGQ-UHFFFAOYSA-N -1 3 391.395 0.669 20 0 GCADHM C[C@@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825005654 609202444 /nfs/dbraw/zinc/20/24/44/609202444.db2.gz BKVVVYBHZVVCIN-DOMZBBRYSA-N -1 3 385.428 0.792 20 0 GCADHM C[C@@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825005654 609202446 /nfs/dbraw/zinc/20/24/46/609202446.db2.gz BKVVVYBHZVVCIN-DOMZBBRYSA-N -1 3 385.428 0.792 20 0 GCADHM C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000824968521 609202514 /nfs/dbraw/zinc/20/25/14/609202514.db2.gz QEYQSRGKPKREEG-SWLSCSKDSA-N -1 3 385.428 0.792 20 0 GCADHM C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000824968521 609202515 /nfs/dbraw/zinc/20/25/15/609202515.db2.gz QEYQSRGKPKREEG-SWLSCSKDSA-N -1 3 385.428 0.792 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@H](CO)C1 ZINC000826431022 609202975 /nfs/dbraw/zinc/20/29/75/609202975.db2.gz PWXRKWTUHDCLIP-BBRMVZONSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@H](CO)C1 ZINC000826431022 609202977 /nfs/dbraw/zinc/20/29/77/609202977.db2.gz PWXRKWTUHDCLIP-BBRMVZONSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826443006 609203376 /nfs/dbraw/zinc/20/33/76/609203376.db2.gz VYVPSYCJKBCAJN-UHFFFAOYSA-N -1 3 381.396 0.597 20 0 GCADHM O=C(NCc1cccc(C(=O)N2CCOCC2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826443006 609203377 /nfs/dbraw/zinc/20/33/77/609203377.db2.gz VYVPSYCJKBCAJN-UHFFFAOYSA-N -1 3 381.396 0.597 20 0 GCADHM O=C(NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826480956 609203389 /nfs/dbraw/zinc/20/33/89/609203389.db2.gz ZTLCJZFNRTVCSH-LBPRGKRZSA-N -1 3 397.395 0.249 20 0 GCADHM O=C(NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826480956 609203390 /nfs/dbraw/zinc/20/33/90/609203390.db2.gz ZTLCJZFNRTVCSH-LBPRGKRZSA-N -1 3 397.395 0.249 20 0 GCADHM CN(C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CCOC1 ZINC000825820684 609204492 /nfs/dbraw/zinc/20/44/92/609204492.db2.gz PAGFKONYIBOUHF-GJZGRUSLSA-N -1 3 385.428 0.792 20 0 GCADHM CN(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CCOC1 ZINC000825820684 609204494 /nfs/dbraw/zinc/20/44/94/609204494.db2.gz PAGFKONYIBOUHF-GJZGRUSLSA-N -1 3 385.428 0.792 20 0 GCADHM CO[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826166743 609204932 /nfs/dbraw/zinc/20/49/32/609204932.db2.gz YWJYEBCXBHWMTM-GJZGRUSLSA-N -1 3 385.428 0.792 20 0 GCADHM CO[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826166743 609204934 /nfs/dbraw/zinc/20/49/34/609204934.db2.gz YWJYEBCXBHWMTM-GJZGRUSLSA-N -1 3 385.428 0.792 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CC[C@H](CO)C1 ZINC000826431071 609204975 /nfs/dbraw/zinc/20/49/75/609204975.db2.gz RIUCASPQRQEDMG-SWLSCSKDSA-N -1 3 385.428 0.386 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CC[C@H](CO)C1 ZINC000826431071 609204977 /nfs/dbraw/zinc/20/49/77/609204977.db2.gz RIUCASPQRQEDMG-SWLSCSKDSA-N -1 3 385.428 0.386 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000826397954 609205008 /nfs/dbraw/zinc/20/50/08/609205008.db2.gz NGHIKARCSDLCFD-INIZCTEOSA-N -1 3 394.439 0.844 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(c2nnc3n2CCC3)CC1 ZINC000826397954 609205010 /nfs/dbraw/zinc/20/50/10/609205010.db2.gz NGHIKARCSDLCFD-INIZCTEOSA-N -1 3 394.439 0.844 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@H]1CO ZINC000826476305 609205715 /nfs/dbraw/zinc/20/57/15/609205715.db2.gz FFIUAUPRCQBTBT-LSDHHAIUSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@H]1CO ZINC000826476305 609205716 /nfs/dbraw/zinc/20/57/16/609205716.db2.gz FFIUAUPRCQBTBT-LSDHHAIUSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(Cn1cc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1)NC1CC1 ZINC000826424476 609206587 /nfs/dbraw/zinc/20/65/87/609206587.db2.gz NRVRZLNSINIAQA-HNNXBMFYSA-N -1 3 382.384 0.014 20 0 GCADHM O=C(Cn1cc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1)NC1CC1 ZINC000826424476 609206589 /nfs/dbraw/zinc/20/65/89/609206589.db2.gz NRVRZLNSINIAQA-HNNXBMFYSA-N -1 3 382.384 0.014 20 0 GCADHM O=C(NCC1(CO)CC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826434018 609206924 /nfs/dbraw/zinc/20/69/24/609206924.db2.gz ZLBDJBWXMYNGHW-CQSZACIVSA-N -1 3 385.428 0.434 20 0 GCADHM O=C(NCC1(CO)CC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826434018 609206926 /nfs/dbraw/zinc/20/69/26/609206926.db2.gz ZLBDJBWXMYNGHW-CQSZACIVSA-N -1 3 385.428 0.434 20 0 GCADHM O=C(c1ccsc1)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826475093 609208513 /nfs/dbraw/zinc/20/85/13/609208513.db2.gz SBKBXRXOCMCWRT-OAHLLOKOSA-N -1 3 398.448 0.946 20 0 GCADHM O=C(c1ccsc1)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826475093 609208514 /nfs/dbraw/zinc/20/85/14/609208514.db2.gz SBKBXRXOCMCWRT-OAHLLOKOSA-N -1 3 398.448 0.946 20 0 GCADHM CS(=O)(=O)c1ccc(OCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826224269 609209874 /nfs/dbraw/zinc/20/98/74/609209874.db2.gz XCRSUYFAAGCZQO-UHFFFAOYSA-N -1 3 376.398 0.407 20 0 GCADHM CS(=O)(=O)c1ccc(OCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826224269 609209876 /nfs/dbraw/zinc/20/98/76/609209876.db2.gz XCRSUYFAAGCZQO-UHFFFAOYSA-N -1 3 376.398 0.407 20 0 GCADHM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826329013 609211704 /nfs/dbraw/zinc/21/17/04/609211704.db2.gz MVZMHMBDGYXGHM-OAHLLOKOSA-N -1 3 391.395 0.464 20 0 GCADHM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826329013 609211705 /nfs/dbraw/zinc/21/17/05/609211705.db2.gz MVZMHMBDGYXGHM-OAHLLOKOSA-N -1 3 391.395 0.464 20 0 GCADHM NC(=O)[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)cc1 ZINC000826389315 609212797 /nfs/dbraw/zinc/21/27/97/609212797.db2.gz VIRYTGRKSJXVFZ-GDBMZVCRSA-N -1 3 398.398 0.500 20 0 GCADHM NC(=O)[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)cc1 ZINC000826389315 609212798 /nfs/dbraw/zinc/21/27/98/609212798.db2.gz VIRYTGRKSJXVFZ-GDBMZVCRSA-N -1 3 398.398 0.500 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CC2 ZINC000825875168 609214344 /nfs/dbraw/zinc/21/43/44/609214344.db2.gz BYAHGXSLHXZIBR-UHFFFAOYSA-N -1 3 387.425 0.648 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2 ZINC000825875168 609214346 /nfs/dbraw/zinc/21/43/46/609214346.db2.gz BYAHGXSLHXZIBR-UHFFFAOYSA-N -1 3 387.425 0.648 20 0 GCADHM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825068437 609216219 /nfs/dbraw/zinc/21/62/19/609216219.db2.gz RQRWLCCSXYFGEO-GDLCADMTSA-N -1 3 390.469 0.716 20 0 GCADHM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825068437 609216221 /nfs/dbraw/zinc/21/62/21/609216221.db2.gz RQRWLCCSXYFGEO-GDLCADMTSA-N -1 3 390.469 0.716 20 0 GCADHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826067564 609217705 /nfs/dbraw/zinc/21/77/05/609217705.db2.gz JMBXXNHQMIHZDD-HNNXBMFYSA-N -1 3 378.396 0.763 20 0 GCADHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826067564 609217707 /nfs/dbraw/zinc/21/77/07/609217707.db2.gz JMBXXNHQMIHZDD-HNNXBMFYSA-N -1 3 378.396 0.763 20 0 GCADHM CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824178145 609218834 /nfs/dbraw/zinc/21/88/34/609218834.db2.gz NGINVHDAFMHUJN-CZUORRHYSA-N -1 3 386.456 0.911 20 0 GCADHM CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824178145 609218835 /nfs/dbraw/zinc/21/88/35/609218835.db2.gz NGINVHDAFMHUJN-CZUORRHYSA-N -1 3 386.456 0.911 20 0 GCADHM CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824178143 609219239 /nfs/dbraw/zinc/21/92/39/609219239.db2.gz NGINVHDAFMHUJN-CJNGLKHVSA-N -1 3 386.456 0.911 20 0 GCADHM CC(C)C(=O)NC[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824178143 609219240 /nfs/dbraw/zinc/21/92/40/609219240.db2.gz NGINVHDAFMHUJN-CJNGLKHVSA-N -1 3 386.456 0.911 20 0 GCADHM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2=O)c1 ZINC000826181316 609221396 /nfs/dbraw/zinc/22/13/96/609221396.db2.gz USTYKSPTDGMUDH-CQSZACIVSA-N -1 3 397.395 0.747 20 0 GCADHM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2=O)c1 ZINC000826181316 609221398 /nfs/dbraw/zinc/22/13/98/609221398.db2.gz USTYKSPTDGMUDH-CQSZACIVSA-N -1 3 397.395 0.747 20 0 GCADHM COCCN(CC(=O)OC(C)(C)C)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157682 609224035 /nfs/dbraw/zinc/22/40/35/609224035.db2.gz GYRGEVCULVEMOM-OAHLLOKOSA-N -1 3 391.428 0.717 20 0 GCADHM COCCN(CC(=O)OC(C)(C)C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157682 609224037 /nfs/dbraw/zinc/22/40/37/609224037.db2.gz GYRGEVCULVEMOM-OAHLLOKOSA-N -1 3 391.428 0.717 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390728 609227350 /nfs/dbraw/zinc/22/73/50/609227350.db2.gz KCOCFTBGFMDCKZ-HZPDHXFCSA-N -1 3 378.392 0.511 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390728 609227352 /nfs/dbraw/zinc/22/73/52/609227352.db2.gz KCOCFTBGFMDCKZ-HZPDHXFCSA-N -1 3 378.392 0.511 20 0 GCADHM CCN(C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)c1cccnn1 ZINC000825415918 609228189 /nfs/dbraw/zinc/22/81/89/609228189.db2.gz FTTVGDLGKJYCCY-ZDUSSCGKSA-N -1 3 383.416 0.352 20 0 GCADHM CCN(C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)c1cccnn1 ZINC000825415918 609228190 /nfs/dbraw/zinc/22/81/90/609228190.db2.gz FTTVGDLGKJYCCY-ZDUSSCGKSA-N -1 3 383.416 0.352 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826338025 609228379 /nfs/dbraw/zinc/22/83/79/609228379.db2.gz IRSMOUXACZRBNG-ABAIWWIYSA-N -1 3 398.427 0.497 20 0 GCADHM Cc1noc([C@@H](C)N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826338025 609228380 /nfs/dbraw/zinc/22/83/80/609228380.db2.gz IRSMOUXACZRBNG-ABAIWWIYSA-N -1 3 398.427 0.497 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000826320042 609228653 /nfs/dbraw/zinc/22/86/53/609228653.db2.gz DWKBXXMUQWCUJR-JKSUJKDBSA-N -1 3 383.412 0.333 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826320042 609228655 /nfs/dbraw/zinc/22/86/55/609228655.db2.gz DWKBXXMUQWCUJR-JKSUJKDBSA-N -1 3 383.412 0.333 20 0 GCADHM O=C(NCCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000826437120 609229081 /nfs/dbraw/zinc/22/90/81/609229081.db2.gz WYUSXMPNUXNUNU-MRXNPFEDSA-N -1 3 398.398 0.976 20 0 GCADHM O=C(NCCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000826437120 609229083 /nfs/dbraw/zinc/22/90/83/609229083.db2.gz WYUSXMPNUXNUNU-MRXNPFEDSA-N -1 3 398.398 0.976 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000825812694 609229567 /nfs/dbraw/zinc/22/95/67/609229567.db2.gz RGFTZZXSMWAROM-NWDGAFQWSA-N -1 3 398.345 0.522 20 0 GCADHM CN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000825812694 609229568 /nfs/dbraw/zinc/22/95/68/609229568.db2.gz RGFTZZXSMWAROM-NWDGAFQWSA-N -1 3 398.345 0.522 20 0 GCADHM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000824270736 609232202 /nfs/dbraw/zinc/23/22/02/609232202.db2.gz FMMVENYDUJHFJN-UHFFFAOYSA-N -1 3 381.462 0.375 20 0 GCADHM CC(C)CS(=O)(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000824270736 609232204 /nfs/dbraw/zinc/23/22/04/609232204.db2.gz FMMVENYDUJHFJN-UHFFFAOYSA-N -1 3 381.462 0.375 20 0 GCADHM O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432736 609233330 /nfs/dbraw/zinc/23/33/30/609233330.db2.gz JIAKYRQWARLKEF-HIFRSBDPSA-N -1 3 385.405 0.545 20 0 GCADHM O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432736 609233331 /nfs/dbraw/zinc/23/33/31/609233331.db2.gz JIAKYRQWARLKEF-HIFRSBDPSA-N -1 3 385.405 0.545 20 0 GCADHM C[C@@H]1CN=C(N2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)S1 ZINC000824999591 609237850 /nfs/dbraw/zinc/23/78/50/609237850.db2.gz IHGSUTKJNLMPBU-BXUZGUMPSA-N -1 3 387.469 0.536 20 0 GCADHM C[C@@H]1CN=C(N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)S1 ZINC000824999591 609237851 /nfs/dbraw/zinc/23/78/51/609237851.db2.gz IHGSUTKJNLMPBU-BXUZGUMPSA-N -1 3 387.469 0.536 20 0 GCADHM Cc1nsc(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826339973 609238303 /nfs/dbraw/zinc/23/83/03/609238303.db2.gz BFDMOIWGUQHNKT-ZDUSSCGKSA-N -1 3 386.441 0.409 20 0 GCADHM Cc1nsc(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826339973 609238305 /nfs/dbraw/zinc/23/83/05/609238305.db2.gz BFDMOIWGUQHNKT-ZDUSSCGKSA-N -1 3 386.441 0.409 20 0 GCADHM O=C(COC(=O)c1nccn2ccnc12)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826416694 609239176 /nfs/dbraw/zinc/23/91/76/609239176.db2.gz KXBIBDQDIJRTCK-UHFFFAOYSA-N -1 3 378.352 0.383 20 0 GCADHM O=C(COC(=O)c1nccn2ccnc12)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826416694 609239177 /nfs/dbraw/zinc/23/91/77/609239177.db2.gz KXBIBDQDIJRTCK-UHFFFAOYSA-N -1 3 378.352 0.383 20 0 GCADHM O=C(NCC1(O)CCC2(CC1)OCCO2)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826433559 609243082 /nfs/dbraw/zinc/24/30/82/609243082.db2.gz KIODGVBNNRHWPC-CQSZACIVSA-N -1 3 389.412 0.065 20 0 GCADHM O=C(NCC1(O)CCC2(CC1)OCCO2)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826433559 609243083 /nfs/dbraw/zinc/24/30/83/609243083.db2.gz KIODGVBNNRHWPC-CQSZACIVSA-N -1 3 389.412 0.065 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824315812 609243879 /nfs/dbraw/zinc/24/38/79/609243879.db2.gz ZNAYJBJZYRXXTD-HZPDHXFCSA-N -1 3 393.444 0.161 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824315812 609243880 /nfs/dbraw/zinc/24/38/80/609243880.db2.gz ZNAYJBJZYRXXTD-HZPDHXFCSA-N -1 3 393.444 0.161 20 0 GCADHM O=C(NCCn1c(=O)[nH]c2ccccc21)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439791 609245064 /nfs/dbraw/zinc/24/50/64/609245064.db2.gz KFPJOVFGCVSYRR-OAHLLOKOSA-N -1 3 379.380 0.772 20 0 GCADHM O=C(NCCn1c(=O)[nH]c2ccccc21)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439791 609245066 /nfs/dbraw/zinc/24/50/66/609245066.db2.gz KFPJOVFGCVSYRR-OAHLLOKOSA-N -1 3 379.380 0.772 20 0 GCADHM COCCOc1cc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000826160914 609245823 /nfs/dbraw/zinc/24/58/23/609245823.db2.gz MKGVVXLLQWZBBF-HNNXBMFYSA-N -1 3 398.379 0.670 20 0 GCADHM COCCOc1cc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000826160914 609245824 /nfs/dbraw/zinc/24/58/24/609245824.db2.gz MKGVVXLLQWZBBF-HNNXBMFYSA-N -1 3 398.379 0.670 20 0 GCADHM C[C@H](c1ccccc1)N(CC(N)=O)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826232352 609246486 /nfs/dbraw/zinc/24/64/86/609246486.db2.gz DCOZXHCFQCOSRR-SJKOYZFVSA-N -1 3 380.408 0.975 20 0 GCADHM C[C@H](c1ccccc1)N(CC(N)=O)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826232352 609246487 /nfs/dbraw/zinc/24/64/87/609246487.db2.gz DCOZXHCFQCOSRR-SJKOYZFVSA-N -1 3 380.408 0.975 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826165940 609247447 /nfs/dbraw/zinc/24/74/47/609247447.db2.gz OSONKCZOTPCQAD-JSGCOSHPSA-N -1 3 384.400 0.289 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826165940 609247449 /nfs/dbraw/zinc/24/74/49/609247449.db2.gz OSONKCZOTPCQAD-JSGCOSHPSA-N -1 3 384.400 0.289 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnc2c(c1)COCC2 ZINC000826441986 609248006 /nfs/dbraw/zinc/24/80/06/609248006.db2.gz DMGURWSKZNNFRK-UHFFFAOYSA-N -1 3 379.380 0.589 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnc2c(c1)COCC2 ZINC000826441986 609248008 /nfs/dbraw/zinc/24/80/08/609248008.db2.gz DMGURWSKZNNFRK-UHFFFAOYSA-N -1 3 379.380 0.589 20 0 GCADHM O=C(NC[C@@H](O)COc1cccc(F)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432456 609249384 /nfs/dbraw/zinc/24/93/84/609249384.db2.gz BFCAKMCGNCJOLP-ZBFHGGJFSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(NC[C@@H](O)COc1cccc(F)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432456 609249385 /nfs/dbraw/zinc/24/93/85/609249385.db2.gz BFCAKMCGNCJOLP-ZBFHGGJFSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(NCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)NC1CCCCC1 ZINC000826437287 609250409 /nfs/dbraw/zinc/25/04/09/609250409.db2.gz DUKZAQQPIYNUSH-OAHLLOKOSA-N -1 3 387.444 0.648 20 0 GCADHM O=C(NCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)NC1CCCCC1 ZINC000826437287 609250411 /nfs/dbraw/zinc/25/04/11/609250411.db2.gz DUKZAQQPIYNUSH-OAHLLOKOSA-N -1 3 387.444 0.648 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826428397 609251374 /nfs/dbraw/zinc/25/13/74/609251374.db2.gz AVTPKBDBRFIJQL-RHSMWYFYSA-N -1 3 384.440 0.950 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826428397 609251376 /nfs/dbraw/zinc/25/13/76/609251376.db2.gz AVTPKBDBRFIJQL-RHSMWYFYSA-N -1 3 384.440 0.950 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H](OCCO)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257665 609252588 /nfs/dbraw/zinc/25/25/88/609252588.db2.gz KYJDCDWARROEKR-MRXNPFEDSA-N -1 3 397.439 0.974 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H](OCCO)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257665 609252590 /nfs/dbraw/zinc/25/25/90/609252590.db2.gz KYJDCDWARROEKR-MRXNPFEDSA-N -1 3 397.439 0.974 20 0 GCADHM COCCOc1cc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC000826161082 609254547 /nfs/dbraw/zinc/25/45/47/609254547.db2.gz SOSGHBBCGODSED-UHFFFAOYSA-N -1 3 384.400 0.524 20 0 GCADHM COCCOc1cc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC000826161082 609254548 /nfs/dbraw/zinc/25/45/48/609254548.db2.gz SOSGHBBCGODSED-UHFFFAOYSA-N -1 3 384.400 0.524 20 0 GCADHM O=C(N[C@H](CO)C[C@H](O)c1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826426814 609255520 /nfs/dbraw/zinc/25/55/20/609255520.db2.gz XAVSTPUQYRATIZ-ULQDDVLXSA-N -1 3 383.408 0.501 20 0 GCADHM O=C(N[C@H](CO)C[C@H](O)c1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826426814 609255521 /nfs/dbraw/zinc/25/55/21/609255521.db2.gz XAVSTPUQYRATIZ-ULQDDVLXSA-N -1 3 383.408 0.501 20 0 GCADHM C[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000824966595 609257000 /nfs/dbraw/zinc/25/70/00/609257000.db2.gz CCINYNPUSAMNTB-GXFFZTMASA-N -1 3 384.362 0.995 20 0 GCADHM C[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000824966595 609257001 /nfs/dbraw/zinc/25/70/01/609257001.db2.gz CCINYNPUSAMNTB-GXFFZTMASA-N -1 3 384.362 0.995 20 0 GCADHM COC(=O)[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(O)c1 ZINC000826104267 609257006 /nfs/dbraw/zinc/25/70/06/609257006.db2.gz SWOVSBDWSSKSJL-GJZGRUSLSA-N -1 3 383.364 0.636 20 0 GCADHM COC(=O)[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC000826104267 609257007 /nfs/dbraw/zinc/25/70/07/609257007.db2.gz SWOVSBDWSSKSJL-GJZGRUSLSA-N -1 3 383.364 0.636 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncccc2F)CC1 ZINC000826397405 609257621 /nfs/dbraw/zinc/25/76/21/609257621.db2.gz CCHFLNVZYNKSSG-OAHLLOKOSA-N -1 3 383.387 0.783 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncccc2F)CC1 ZINC000826397405 609257622 /nfs/dbraw/zinc/25/76/22/609257622.db2.gz CCHFLNVZYNKSSG-OAHLLOKOSA-N -1 3 383.387 0.783 20 0 GCADHM O=C(c1cccn2c(=O)[nH]nc12)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826474963 609258296 /nfs/dbraw/zinc/25/82/96/609258296.db2.gz MPGFYVQFGJHPAW-AWEZNQCLSA-N -1 3 392.379 0.829 20 0 GCADHM O=C(c1cccn2c(=O)[nH]nc12)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826474963 609258298 /nfs/dbraw/zinc/25/82/98/609258298.db2.gz MPGFYVQFGJHPAW-AWEZNQCLSA-N -1 3 392.379 0.829 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000820732981 609259561 /nfs/dbraw/zinc/25/95/61/609259561.db2.gz BPDYMDHJDOIGMQ-GRYCIOLGSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000820732981 609259562 /nfs/dbraw/zinc/25/95/62/609259562.db2.gz BPDYMDHJDOIGMQ-GRYCIOLGSA-N -1 3 394.457 0.169 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2)c1=O ZINC000826365116 609259608 /nfs/dbraw/zinc/25/96/08/609259608.db2.gz BZDCOJQCICMVCO-HNNXBMFYSA-N -1 3 392.379 0.423 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2)c1=O ZINC000826365116 609259609 /nfs/dbraw/zinc/25/96/09/609259609.db2.gz BZDCOJQCICMVCO-HNNXBMFYSA-N -1 3 392.379 0.423 20 0 GCADHM CN(C)C(=O)NCCNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825845126 609262481 /nfs/dbraw/zinc/26/24/81/609262481.db2.gz CWSAIWQODIKLNG-UHFFFAOYSA-N -1 3 388.432 0.363 20 0 GCADHM CN(C)C(=O)NCCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825845126 609262482 /nfs/dbraw/zinc/26/24/82/609262482.db2.gz CWSAIWQODIKLNG-UHFFFAOYSA-N -1 3 388.432 0.363 20 0 GCADHM CSCC[C@H](O)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826228309 609265589 /nfs/dbraw/zinc/26/55/89/609265589.db2.gz LGEKINPEVHREBL-KBPBESRZSA-N -1 3 390.469 0.592 20 0 GCADHM CSCC[C@H](O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826228309 609265590 /nfs/dbraw/zinc/26/55/90/609265590.db2.gz LGEKINPEVHREBL-KBPBESRZSA-N -1 3 390.469 0.592 20 0 GCADHM Cc1c[nH]cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1=O ZINC000826319217 609265849 /nfs/dbraw/zinc/26/58/49/609265849.db2.gz SORBETATVRCDPH-OAHLLOKOSA-N -1 3 393.407 0.789 20 0 GCADHM Cc1c[nH]cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1=O ZINC000826319217 609265852 /nfs/dbraw/zinc/26/58/52/609265852.db2.gz SORBETATVRCDPH-OAHLLOKOSA-N -1 3 393.407 0.789 20 0 GCADHM O=C(C=Cc1ccncn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826403229 609266047 /nfs/dbraw/zinc/26/60/47/609266047.db2.gz MXIUIPXFXXLHDM-WHWKNOJMSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(C=Cc1ccncn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826403229 609266048 /nfs/dbraw/zinc/26/60/48/609266048.db2.gz MXIUIPXFXXLHDM-WHWKNOJMSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(CCn1cccn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826409461 609266070 /nfs/dbraw/zinc/26/60/70/609266070.db2.gz AAGOTJIOPFMBOO-OAHLLOKOSA-N -1 3 380.412 0.765 20 0 GCADHM O=C(CCn1cccn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826409461 609266071 /nfs/dbraw/zinc/26/60/71/609266071.db2.gz AAGOTJIOPFMBOO-OAHLLOKOSA-N -1 3 380.412 0.765 20 0 GCADHM COCCn1cc2c(n1)[C@H](NC(=O)CNc1ccc(-c3nnn[n-]3)cn1)CCC2 ZINC000826164058 609266859 /nfs/dbraw/zinc/26/68/59/609266859.db2.gz XGURAIONYPWWMI-CQSZACIVSA-N -1 3 397.443 0.710 20 0 GCADHM COCCn1cc2c(n1)[C@H](NC(=O)CNc1ccc(-c3nn[n-]n3)cn1)CCC2 ZINC000826164058 609266860 /nfs/dbraw/zinc/26/68/60/609266860.db2.gz XGURAIONYPWWMI-CQSZACIVSA-N -1 3 397.443 0.710 20 0 GCADHM COCCn1cc2c(n1)[C@@H](NC(=O)[C@H](O)c1ccc(-c3nnn[n-]3)cc1)CCC2 ZINC000826163752 609266990 /nfs/dbraw/zinc/26/69/90/609266990.db2.gz JRVDLCKTCPBRPX-DOTOQJQBSA-N -1 3 397.439 0.937 20 0 GCADHM COCCn1cc2c(n1)[C@@H](NC(=O)[C@H](O)c1ccc(-c3nn[n-]n3)cc1)CCC2 ZINC000826163752 609266992 /nfs/dbraw/zinc/26/69/92/609266992.db2.gz JRVDLCKTCPBRPX-DOTOQJQBSA-N -1 3 397.439 0.937 20 0 GCADHM CN(C)c1nc(CS(=O)(=O)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)ns1 ZINC000825884173 609268869 /nfs/dbraw/zinc/26/88/69/609268869.db2.gz UKWAYNIUUMLMSK-LLVKDONJSA-N -1 3 395.470 0.433 20 0 GCADHM CN(C)c1nc(CS(=O)(=O)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)ns1 ZINC000825884173 609268871 /nfs/dbraw/zinc/26/88/71/609268871.db2.gz UKWAYNIUUMLMSK-LLVKDONJSA-N -1 3 395.470 0.433 20 0 GCADHM CN(C)C(=O)N1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC000825846131 609283185 /nfs/dbraw/zinc/28/31/85/609283185.db2.gz SCSPWTNETUYHGX-UHFFFAOYSA-N -1 3 386.460 0.883 20 0 GCADHM CN(C)C(=O)N1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000825846131 609283187 /nfs/dbraw/zinc/28/31/87/609283187.db2.gz SCSPWTNETUYHGX-UHFFFAOYSA-N -1 3 386.460 0.883 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000825492130 609285669 /nfs/dbraw/zinc/28/56/69/609285669.db2.gz DHICUXGONXJHIR-MLGOLLRUSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000825492130 609285671 /nfs/dbraw/zinc/28/56/71/609285671.db2.gz DHICUXGONXJHIR-MLGOLLRUSA-N -1 3 389.412 0.720 20 0 GCADHM O=C(NCCN1CCNC(=O)C1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826481046 609288481 /nfs/dbraw/zinc/28/84/81/609288481.db2.gz DFEADFYTDFVVSJ-UHFFFAOYSA-N -1 3 391.435 0.695 20 0 GCADHM O=C(NCCN1CCNC(=O)C1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826481046 609288483 /nfs/dbraw/zinc/28/84/83/609288483.db2.gz DFEADFYTDFVVSJ-UHFFFAOYSA-N -1 3 391.435 0.695 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000826223678 609288516 /nfs/dbraw/zinc/28/85/16/609288516.db2.gz WBRLPGTXVWXEFI-SNVBAGLBSA-N -1 3 384.849 0.674 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000826223678 609288517 /nfs/dbraw/zinc/28/85/17/609288517.db2.gz WBRLPGTXVWXEFI-SNVBAGLBSA-N -1 3 384.849 0.674 20 0 GCADHM CN(CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)S(C)(=O)=O ZINC000825892490 609292316 /nfs/dbraw/zinc/29/23/16/609292316.db2.gz MLNCHVCUTUIHOQ-UHFFFAOYSA-N -1 3 394.392 0.021 20 0 GCADHM Cn1cnn(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1=O ZINC000826365518 609294869 /nfs/dbraw/zinc/29/48/69/609294869.db2.gz RDYIICVYMVIGAZ-UHFFFAOYSA-N -1 3 381.299 0.107 20 0 GCADHM Cn1cnn(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1=O ZINC000826365518 609294870 /nfs/dbraw/zinc/29/48/70/609294870.db2.gz RDYIICVYMVIGAZ-UHFFFAOYSA-N -1 3 381.299 0.107 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCCCn1ccnc1 ZINC000825929448 609300656 /nfs/dbraw/zinc/30/06/56/609300656.db2.gz GCSJIMCIRAMJSQ-UHFFFAOYSA-N -1 3 387.452 0.423 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCCCn1ccnc1 ZINC000825929448 609300658 /nfs/dbraw/zinc/30/06/58/609300658.db2.gz GCSJIMCIRAMJSQ-UHFFFAOYSA-N -1 3 387.452 0.423 20 0 GCADHM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825902176 609301267 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ZINC000826393455 609396210 /nfs/dbraw/zinc/39/62/10/609396210.db2.gz SSYGBYBGPNOQJC-AWEZNQCLSA-N -1 3 393.363 0.323 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000824640402 609400457 /nfs/dbraw/zinc/40/04/57/609400457.db2.gz HRBDDYIDEDZPRD-COPLHBTASA-N -1 3 396.448 0.740 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000824640402 609400459 /nfs/dbraw/zinc/40/04/59/609400459.db2.gz HRBDDYIDEDZPRD-COPLHBTASA-N -1 3 396.448 0.740 20 0 GCADHM CC[C@@](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)(C(N)=O)C(C)C ZINC000825147326 609401557 /nfs/dbraw/zinc/40/15/57/609401557.db2.gz IGGTVBXZTHIJML-HNNXBMFYSA-N -1 3 384.437 0.715 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NCC(=O)NCC1CC1 ZINC000826405553 609403300 /nfs/dbraw/zinc/40/33/00/609403300.db2.gz KBNWLNUEFJZRIL-UHFFFAOYSA-N -1 3 385.428 0.618 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NCC(=O)NCC1CC1 ZINC000826405553 609403303 /nfs/dbraw/zinc/40/33/03/609403303.db2.gz KBNWLNUEFJZRIL-UHFFFAOYSA-N -1 3 385.428 0.618 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000825620533 609403706 /nfs/dbraw/zinc/40/37/06/609403706.db2.gz CZGUBCVHSUUUDM-ZDUSSCGKSA-N -1 3 375.389 0.244 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000825620533 609403708 /nfs/dbraw/zinc/40/37/08/609403708.db2.gz CZGUBCVHSUUUDM-ZDUSSCGKSA-N -1 3 375.389 0.244 20 0 GCADHM COC[C@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(=O)OC ZINC000826150334 609404333 /nfs/dbraw/zinc/40/43/33/609404333.db2.gz BISQMHQSIHIMPM-AWEZNQCLSA-N -1 3 398.379 0.972 20 0 GCADHM COC[C@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(=O)OC ZINC000826150334 609404334 /nfs/dbraw/zinc/40/43/34/609404334.db2.gz BISQMHQSIHIMPM-AWEZNQCLSA-N -1 3 398.379 0.972 20 0 GCADHM COC[C@H](NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C)C(=O)OC ZINC000826151327 609404866 /nfs/dbraw/zinc/40/48/66/609404866.db2.gz ZAMBWGDRSALUKR-JSGCOSHPSA-N -1 3 377.401 0.574 20 0 GCADHM COC[C@H](NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C)C(=O)OC ZINC000826151327 609404869 /nfs/dbraw/zinc/40/48/69/609404869.db2.gz ZAMBWGDRSALUKR-JSGCOSHPSA-N -1 3 377.401 0.574 20 0 GCADHM COC[C@@H](NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C)C(=O)OC ZINC000826151329 609405045 /nfs/dbraw/zinc/40/50/45/609405045.db2.gz ZAMBWGDRSALUKR-TZMCWYRMSA-N -1 3 377.401 0.574 20 0 GCADHM COC[C@@H](NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C)C(=O)OC ZINC000826151329 609405046 /nfs/dbraw/zinc/40/50/46/609405046.db2.gz ZAMBWGDRSALUKR-TZMCWYRMSA-N -1 3 377.401 0.574 20 0 GCADHM COc1ccccc1[C@@H](CO)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826219161 609406475 /nfs/dbraw/zinc/40/64/75/609406475.db2.gz UUMYUPSNUHTNPL-OAHLLOKOSA-N -1 3 396.407 0.455 20 0 GCADHM COc1ccccc1[C@@H](CO)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826219161 609406478 /nfs/dbraw/zinc/40/64/78/609406478.db2.gz UUMYUPSNUHTNPL-OAHLLOKOSA-N -1 3 396.407 0.455 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)c1ccc(F)cc1 ZINC000826411958 609407025 /nfs/dbraw/zinc/40/70/25/609407025.db2.gz VHYDHYSAGCAKLC-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)c1ccc(F)cc1 ZINC000826411958 609407028 /nfs/dbraw/zinc/40/70/28/609407028.db2.gz VHYDHYSAGCAKLC-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM Cn1c(CO)nnc1S[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826355389 609408929 /nfs/dbraw/zinc/40/89/29/609408929.db2.gz XNHSQZOTWKMSFJ-LBPRGKRZSA-N -1 3 386.441 0.775 20 0 GCADHM Cn1c(CO)nnc1S[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826355389 609408930 /nfs/dbraw/zinc/40/89/30/609408930.db2.gz XNHSQZOTWKMSFJ-LBPRGKRZSA-N -1 3 386.441 0.775 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826471273 609416876 /nfs/dbraw/zinc/41/68/76/609416876.db2.gz UERFOTXTGJZIQY-LBPRGKRZSA-N -1 3 393.473 0.661 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826471273 609416877 /nfs/dbraw/zinc/41/68/77/609416877.db2.gz UERFOTXTGJZIQY-LBPRGKRZSA-N -1 3 393.473 0.661 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)S(N)(=O)=O ZINC000824419818 609417879 /nfs/dbraw/zinc/41/78/79/609417879.db2.gz CBRPTRYGILDMST-YFKPBYRVSA-N -1 3 379.229 0.580 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)S(N)(=O)=O ZINC000824419818 609417880 /nfs/dbraw/zinc/41/78/80/609417880.db2.gz CBRPTRYGILDMST-YFKPBYRVSA-N -1 3 379.229 0.580 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826060395 609418558 /nfs/dbraw/zinc/41/85/58/609418558.db2.gz LXQKPCXLNCWEKT-ZDUSSCGKSA-N -1 3 376.442 0.073 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826060395 609418561 /nfs/dbraw/zinc/41/85/61/609418561.db2.gz LXQKPCXLNCWEKT-ZDUSSCGKSA-N -1 3 376.442 0.073 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000824019472 609419218 /nfs/dbraw/zinc/41/92/18/609419218.db2.gz BNZKDHLJFRDEBN-UHFFFAOYSA-N -1 3 399.455 0.050 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000824019472 609419219 /nfs/dbraw/zinc/41/92/19/609419219.db2.gz BNZKDHLJFRDEBN-UHFFFAOYSA-N -1 3 399.455 0.050 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825875439 609420763 /nfs/dbraw/zinc/42/07/63/609420763.db2.gz PMXCNJBUDQAFSE-UHFFFAOYSA-N -1 3 387.425 0.648 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825875439 609420766 /nfs/dbraw/zinc/42/07/66/609420766.db2.gz PMXCNJBUDQAFSE-UHFFFAOYSA-N -1 3 387.425 0.648 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCN(c2ccc3nncn3n2)CC1 ZINC000824019614 609421772 /nfs/dbraw/zinc/42/17/72/609421772.db2.gz ILUYNBGBBOHATQ-UHFFFAOYSA-N -1 3 390.411 0.834 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCN(c2ccc3nncn3n2)CC1 ZINC000824019614 609421775 /nfs/dbraw/zinc/42/17/75/609421775.db2.gz ILUYNBGBBOHATQ-UHFFFAOYSA-N -1 3 390.411 0.834 20 0 GCADHM COCCCNC(=O)CN(C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000826156536 609428139 /nfs/dbraw/zinc/42/81/39/609428139.db2.gz IMVSEKBYOJTQJM-UHFFFAOYSA-N -1 3 395.489 0.568 20 0 GCADHM COCCCNC(=O)CN(C)CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000826156536 609428140 /nfs/dbraw/zinc/42/81/40/609428140.db2.gz IMVSEKBYOJTQJM-UHFFFAOYSA-N -1 3 395.489 0.568 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000826279469 609437297 /nfs/dbraw/zinc/43/72/97/609437297.db2.gz QWJMJHVMNOUDOF-ZIAGYGMSSA-N -1 3 391.453 0.934 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000826279469 609437300 /nfs/dbraw/zinc/43/73/00/609437300.db2.gz QWJMJHVMNOUDOF-ZIAGYGMSSA-N -1 3 391.453 0.934 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000826279466 609437757 /nfs/dbraw/zinc/43/77/57/609437757.db2.gz QWJMJHVMNOUDOF-KBPBESRZSA-N -1 3 391.453 0.934 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000826279466 609437759 /nfs/dbraw/zinc/43/77/59/609437759.db2.gz QWJMJHVMNOUDOF-KBPBESRZSA-N -1 3 391.453 0.934 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CN1c1ccc(F)cc1 ZINC000826477034 609438447 /nfs/dbraw/zinc/43/84/47/609438447.db2.gz UOUTWQUVZCUMJF-CQSZACIVSA-N -1 3 388.384 0.700 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CN1c1ccc(F)cc1 ZINC000826477034 609438449 /nfs/dbraw/zinc/43/84/49/609438449.db2.gz UOUTWQUVZCUMJF-CQSZACIVSA-N -1 3 388.384 0.700 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CN1c1ccc(F)cc1 ZINC000826476197 609438511 /nfs/dbraw/zinc/43/85/11/609438511.db2.gz CMQIQGFDKSTPTQ-CQSZACIVSA-N -1 3 388.384 0.700 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CN1c1ccc(F)cc1 ZINC000826476197 609438512 /nfs/dbraw/zinc/43/85/12/609438512.db2.gz CMQIQGFDKSTPTQ-CQSZACIVSA-N -1 3 388.384 0.700 20 0 GCADHM CCOC(=O)[C@@H](NCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000825494283 609439127 /nfs/dbraw/zinc/43/91/27/609439127.db2.gz VHZZOTTWYLOMSZ-CJNGLKHVSA-N -1 3 388.428 0.753 20 0 GCADHM CCOC(=O)[C@@H](NCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC000825494283 609439130 /nfs/dbraw/zinc/43/91/30/609439130.db2.gz VHZZOTTWYLOMSZ-CJNGLKHVSA-N -1 3 388.428 0.753 20 0 GCADHM CCOC(=O)[C@@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000825493442 609439183 /nfs/dbraw/zinc/43/91/83/609439183.db2.gz LSYKUIFXYUKPIX-GWCFXTLKSA-N -1 3 394.457 0.815 20 0 GCADHM CCOC(=O)[C@@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000825493442 609439186 /nfs/dbraw/zinc/43/91/86/609439186.db2.gz LSYKUIFXYUKPIX-GWCFXTLKSA-N -1 3 394.457 0.815 20 0 GCADHM CCCN(CC(=O)Nc1sccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000825307729 609448011 /nfs/dbraw/zinc/44/80/11/609448011.db2.gz OAYALCASYCMWQV-JTQLQIEISA-N -1 3 384.487 0.766 20 0 GCADHM CCCN(CC(=O)Nc1sccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000825307729 609448012 /nfs/dbraw/zinc/44/80/12/609448012.db2.gz OAYALCASYCMWQV-JTQLQIEISA-N -1 3 384.487 0.766 20 0 GCADHM COC(=O)[C@H]1CC(=O)N(CN2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000826128470 609462186 /nfs/dbraw/zinc/46/21/86/609462186.db2.gz DHIZJUHGHBJPTR-INIZCTEOSA-N -1 3 382.424 0.935 20 0 GCADHM COC(=O)[C@H]1CC(=O)N(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826128470 609462188 /nfs/dbraw/zinc/46/21/88/609462188.db2.gz DHIZJUHGHBJPTR-INIZCTEOSA-N -1 3 382.424 0.935 20 0 GCADHM C[C@@H](C(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)S(C)(=O)=O ZINC000824053137 609463748 /nfs/dbraw/zinc/46/37/48/609463748.db2.gz VDAJHFQMFHSMOO-GWCFXTLKSA-N -1 3 393.425 0.338 20 0 GCADHM C[C@@H](C(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)S(C)(=O)=O ZINC000824053137 609463751 /nfs/dbraw/zinc/46/37/51/609463751.db2.gz VDAJHFQMFHSMOO-GWCFXTLKSA-N -1 3 393.425 0.338 20 0 GCADHM Cn1cc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1=O ZINC000826358652 609465372 /nfs/dbraw/zinc/46/53/72/609465372.db2.gz CACMIUXKOJDLDD-OAHLLOKOSA-N -1 3 394.391 0.918 20 0 GCADHM Cn1cc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1=O ZINC000826358652 609465373 /nfs/dbraw/zinc/46/53/73/609465373.db2.gz CACMIUXKOJDLDD-OAHLLOKOSA-N -1 3 394.391 0.918 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826321853 609468988 /nfs/dbraw/zinc/46/89/88/609468988.db2.gz RRPXUMIMDROCMX-ZDUSSCGKSA-N -1 3 383.416 0.614 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826321853 609468990 /nfs/dbraw/zinc/46/89/90/609468990.db2.gz RRPXUMIMDROCMX-ZDUSSCGKSA-N -1 3 383.416 0.614 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CC(n2ccnn2)C1 ZINC000826175780 609472575 /nfs/dbraw/zinc/47/25/75/609472575.db2.gz QDIMZMFPWBQRNE-UHFFFAOYSA-N -1 3 384.400 0.709 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CC(n2ccnn2)C1 ZINC000826175780 609472576 /nfs/dbraw/zinc/47/25/76/609472576.db2.gz QDIMZMFPWBQRNE-UHFFFAOYSA-N -1 3 384.400 0.709 20 0 GCADHM O=C(CCCC(=O)N1CC(n2ccnn2)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000826405723 609473321 /nfs/dbraw/zinc/47/33/21/609473321.db2.gz QXRSURQNOWISES-UHFFFAOYSA-N -1 3 381.400 0.651 20 0 GCADHM O=C(CCCC(=O)N1CC(n2ccnn2)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000826405723 609473323 /nfs/dbraw/zinc/47/33/23/609473323.db2.gz QXRSURQNOWISES-UHFFFAOYSA-N -1 3 381.400 0.651 20 0 GCADHM Cn1cc(C(C)(C)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000826358841 609493620 /nfs/dbraw/zinc/49/36/20/609493620.db2.gz KYHRUTDFFKNGCS-UHFFFAOYSA-N -1 3 381.444 0.622 20 0 GCADHM Cn1cc(C(C)(C)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000826358841 609493621 /nfs/dbraw/zinc/49/36/21/609493621.db2.gz KYHRUTDFFKNGCS-UHFFFAOYSA-N -1 3 381.444 0.622 20 0 GCADHM Cc1nc([C@@H]2COCCN2C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826324843 609497558 /nfs/dbraw/zinc/49/75/58/609497558.db2.gz GUCHWWUKWXKTRN-HIFRSBDPSA-N -1 3 387.400 0.371 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000826337408 609497788 /nfs/dbraw/zinc/49/77/88/609497788.db2.gz NMPLXKLAIRHVNS-VIFPVBQESA-N -1 3 378.393 0.199 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000826337408 609497790 /nfs/dbraw/zinc/49/77/90/609497790.db2.gz NMPLXKLAIRHVNS-VIFPVBQESA-N -1 3 378.393 0.199 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)Cc1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC000826337507 609497852 /nfs/dbraw/zinc/49/78/52/609497852.db2.gz RBMKKPFLZCZFJE-GFCCVEGCSA-N -1 3 392.420 0.340 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC000826337507 609497855 /nfs/dbraw/zinc/49/78/55/609497855.db2.gz RBMKKPFLZCZFJE-GFCCVEGCSA-N -1 3 392.420 0.340 20 0 GCADHM CCc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1C)CC2 ZINC000825771889 609499488 /nfs/dbraw/zinc/49/94/88/609499488.db2.gz UVSLYEQRYCSAGY-GFCCVEGCSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1C)CC2 ZINC000825771889 609499491 /nfs/dbraw/zinc/49/94/91/609499491.db2.gz UVSLYEQRYCSAGY-GFCCVEGCSA-N -1 3 388.457 0.622 20 0 GCADHM O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000826482304 609500680 /nfs/dbraw/zinc/50/06/80/609500680.db2.gz ZLUQXSKFUFHTSU-UHFFFAOYSA-N -1 3 382.409 0.845 20 0 GCADHM O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000826482304 609500683 /nfs/dbraw/zinc/50/06/83/609500683.db2.gz ZLUQXSKFUFHTSU-UHFFFAOYSA-N -1 3 382.409 0.845 20 0 GCADHM O=C(CC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)NCC(F)(F)F ZINC000826404080 609501625 /nfs/dbraw/zinc/50/16/25/609501625.db2.gz NRBUKFRLMUNMJK-UHFFFAOYSA-N -1 3 397.361 0.584 20 0 GCADHM O=C(CC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)NCC(F)(F)F ZINC000826404080 609501628 /nfs/dbraw/zinc/50/16/28/609501628.db2.gz NRBUKFRLMUNMJK-UHFFFAOYSA-N -1 3 397.361 0.584 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)CCc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826164997 609502794 /nfs/dbraw/zinc/50/27/94/609502794.db2.gz ATDBUMNVGPHQTA-AWEZNQCLSA-N -1 3 399.411 0.929 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)CCc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826164997 609502796 /nfs/dbraw/zinc/50/27/96/609502796.db2.gz ATDBUMNVGPHQTA-AWEZNQCLSA-N -1 3 399.411 0.929 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)no1 ZINC000826165029 609503121 /nfs/dbraw/zinc/50/31/21/609503121.db2.gz CCLWXUOMMHSDCK-ZDUSSCGKSA-N -1 3 385.384 0.918 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)no1 ZINC000826165029 609503123 /nfs/dbraw/zinc/50/31/23/609503123.db2.gz CCLWXUOMMHSDCK-ZDUSSCGKSA-N -1 3 385.384 0.918 20 0 GCADHM Cc1nc([C@H]2COCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)no1 ZINC000826325275 609503476 /nfs/dbraw/zinc/50/34/76/609503476.db2.gz SLWOUGCXOMQTFW-GXFFZTMASA-N -1 3 385.384 0.926 20 0 GCADHM Cc1nc([C@H]2COCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)no1 ZINC000826325275 609503477 /nfs/dbraw/zinc/50/34/77/609503477.db2.gz SLWOUGCXOMQTFW-GXFFZTMASA-N -1 3 385.384 0.926 20 0 GCADHM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825308214 609509679 /nfs/dbraw/zinc/50/96/79/609509679.db2.gz XOQHVONMXJIUQM-CQSZACIVSA-N -1 3 399.498 0.596 20 0 GCADHM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825308214 609509681 /nfs/dbraw/zinc/50/96/81/609509681.db2.gz XOQHVONMXJIUQM-CQSZACIVSA-N -1 3 399.498 0.596 20 0 GCADHM Cc1cc(C(=O)N(C)CC(=O)NC(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826256826 609512673 /nfs/dbraw/zinc/51/26/73/609512673.db2.gz BMQJOJNPYLDSST-UHFFFAOYSA-N -1 3 382.428 0.957 20 0 GCADHM Cc1cc(C(=O)N(C)CC(=O)NC(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826256826 609512676 /nfs/dbraw/zinc/51/26/76/609512676.db2.gz BMQJOJNPYLDSST-UHFFFAOYSA-N -1 3 382.428 0.957 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(CC(=O)N3CCCC3)CC2)c1-c1nnn[n-]1 ZINC000826237556 609522853 /nfs/dbraw/zinc/52/28/53/609522853.db2.gz DFZLOWVIDHKFIL-UHFFFAOYSA-N -1 3 390.879 0.968 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(CC(=O)N3CCCC3)CC2)c1-c1nn[n-]n1 ZINC000826237556 609522855 /nfs/dbraw/zinc/52/28/55/609522855.db2.gz DFZLOWVIDHKFIL-UHFFFAOYSA-N -1 3 390.879 0.968 20 0 GCADHM O=S(=O)(NCCCN1CCOCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826490840 609525342 /nfs/dbraw/zinc/52/53/42/609525342.db2.gz JOEJEMFJKBVWOG-UHFFFAOYSA-N -1 3 386.865 0.521 20 0 GCADHM O=S(=O)(NCCCN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826490840 609525343 /nfs/dbraw/zinc/52/53/43/609525343.db2.gz JOEJEMFJKBVWOG-UHFFFAOYSA-N -1 3 386.865 0.521 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H](C(N)=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257898 609534710 /nfs/dbraw/zinc/53/47/10/609534710.db2.gz RZPRXMVMJFKKDF-ZDUSSCGKSA-N -1 3 380.412 0.698 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H](C(N)=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257898 609534711 /nfs/dbraw/zinc/53/47/11/609534711.db2.gz RZPRXMVMJFKKDF-ZDUSSCGKSA-N -1 3 380.412 0.698 20 0 GCADHM NC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826391544 609539231 /nfs/dbraw/zinc/53/92/31/609539231.db2.gz PPOQEYFOMKYBHJ-UHFFFAOYSA-N -1 3 384.849 0.939 20 0 GCADHM NC(=O)CN(C1CCCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826391544 609539232 /nfs/dbraw/zinc/53/92/32/609539232.db2.gz PPOQEYFOMKYBHJ-UHFFFAOYSA-N -1 3 384.849 0.939 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)NCC(F)(F)F ZINC000826413052 609539490 /nfs/dbraw/zinc/53/94/90/609539490.db2.gz ONIUEOSAXKTZEA-UHFFFAOYSA-N -1 3 398.754 0.477 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)NCC(F)(F)F ZINC000826413052 609539491 /nfs/dbraw/zinc/53/94/91/609539491.db2.gz ONIUEOSAXKTZEA-UHFFFAOYSA-N -1 3 398.754 0.477 20 0 GCADHM Cc1ccnc(N2CCc3ncnc(N4CCOCC4)c3C2)c1-c1nnn[n-]1 ZINC000826312110 609544384 /nfs/dbraw/zinc/54/43/84/609544384.db2.gz WGJWGQPCQLPGJT-UHFFFAOYSA-N -1 3 379.428 0.759 20 0 GCADHM Cc1ccnc(N2CCc3ncnc(N4CCOCC4)c3C2)c1-c1nn[n-]n1 ZINC000826312110 609544387 /nfs/dbraw/zinc/54/43/87/609544387.db2.gz WGJWGQPCQLPGJT-UHFFFAOYSA-N -1 3 379.428 0.759 20 0 GCADHM Cc1c(Cl)cnc(N2CCC[C@@H](CNS(N)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826238113 609545315 /nfs/dbraw/zinc/54/53/15/609545315.db2.gz WTCOTSZNAJFPGL-VIFPVBQESA-N -1 3 386.869 0.233 20 0 GCADHM Cc1c(Cl)cnc(N2CCC[C@@H](CNS(N)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826238113 609545317 /nfs/dbraw/zinc/54/53/17/609545317.db2.gz WTCOTSZNAJFPGL-VIFPVBQESA-N -1 3 386.869 0.233 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC000826134704 609545769 /nfs/dbraw/zinc/54/57/69/609545769.db2.gz ZDWMEHHYMPPBGZ-ZDUSSCGKSA-N -1 3 381.396 0.996 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000826134704 609545770 /nfs/dbraw/zinc/54/57/70/609545770.db2.gz ZDWMEHHYMPPBGZ-ZDUSSCGKSA-N -1 3 381.396 0.996 20 0 GCADHM CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826038618 609545919 /nfs/dbraw/zinc/54/59/19/609545919.db2.gz RKGRZFZVLQVDKR-NSHDSACASA-N -1 3 385.881 0.044 20 0 GCADHM CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826038618 609545922 /nfs/dbraw/zinc/54/59/22/609545922.db2.gz RKGRZFZVLQVDKR-NSHDSACASA-N -1 3 385.881 0.044 20 0 GCADHM O=C1OCCN1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826483365 609546393 /nfs/dbraw/zinc/54/63/93/609546393.db2.gz LFTFNGKGIQBUBI-UHFFFAOYSA-N -1 3 386.821 0.641 20 0 GCADHM O=C1OCCN1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826483365 609546396 /nfs/dbraw/zinc/54/63/96/609546396.db2.gz LFTFNGKGIQBUBI-UHFFFAOYSA-N -1 3 386.821 0.641 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1CCN(c2nccc(C)c2-c2nnn[n-]2)CC1 ZINC000826156338 609548468 /nfs/dbraw/zinc/54/84/68/609548468.db2.gz YVRDCCDNSYVRNN-CQSZACIVSA-N -1 3 388.476 0.233 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1CCN(c2nccc(C)c2-c2nn[n-]n2)CC1 ZINC000826156338 609548470 /nfs/dbraw/zinc/54/84/70/609548470.db2.gz YVRDCCDNSYVRNN-CQSZACIVSA-N -1 3 388.476 0.233 20 0 GCADHM O=S(=O)(NC[C@H](O)C1CCOCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826489699 609550518 /nfs/dbraw/zinc/55/05/18/609550518.db2.gz XKPPUFPKBNFGMO-LBPRGKRZSA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NC[C@H](O)C1CCOCC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826489699 609550520 /nfs/dbraw/zinc/55/05/20/609550520.db2.gz XKPPUFPKBNFGMO-LBPRGKRZSA-N -1 3 387.849 0.586 20 0 GCADHM O=S(=O)(NCCSCCCO)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826491319 609550811 /nfs/dbraw/zinc/55/08/11/609550811.db2.gz CPUNFOBUAQNKCF-UHFFFAOYSA-N -1 3 377.879 0.914 20 0 GCADHM O=S(=O)(NCCSCCCO)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826491319 609550813 /nfs/dbraw/zinc/55/08/13/609550813.db2.gz CPUNFOBUAQNKCF-UHFFFAOYSA-N -1 3 377.879 0.914 20 0 GCADHM Cc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257431 609554057 /nfs/dbraw/zinc/55/40/57/609554057.db2.gz CAPSKORCKKUZHU-CQSZACIVSA-N -1 3 396.455 0.499 20 0 GCADHM Cc1cc(C(=O)N2CCN(C[C@@H](C)O)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257431 609554061 /nfs/dbraw/zinc/55/40/61/609554061.db2.gz CAPSKORCKKUZHU-CQSZACIVSA-N -1 3 396.455 0.499 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824440641 609554735 /nfs/dbraw/zinc/55/47/35/609554735.db2.gz HQQPZFAMXZKWTN-KOLCDFICSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824440641 609554739 /nfs/dbraw/zinc/55/47/39/609554739.db2.gz HQQPZFAMXZKWTN-KOLCDFICSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824440642 609554853 /nfs/dbraw/zinc/55/48/53/609554853.db2.gz HQQPZFAMXZKWTN-MWLCHTKSSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824440642 609554854 /nfs/dbraw/zinc/55/48/54/609554854.db2.gz HQQPZFAMXZKWTN-MWLCHTKSSA-N -1 3 387.849 0.992 20 0 GCADHM COCCN(CCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000826158231 609556395 /nfs/dbraw/zinc/55/63/95/609556395.db2.gz GPDKQHHENYTUDK-CQSZACIVSA-N -1 3 381.458 0.381 20 0 GCADHM COCCCOC1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826156603 609556505 /nfs/dbraw/zinc/55/65/05/609556505.db2.gz LSTRGMVBLWIGNM-UHFFFAOYSA-N -1 3 387.849 0.946 20 0 GCADHM COCCCOC1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826156603 609556507 /nfs/dbraw/zinc/55/65/07/609556507.db2.gz LSTRGMVBLWIGNM-UHFFFAOYSA-N -1 3 387.849 0.946 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824448214 609562204 /nfs/dbraw/zinc/56/22/04/609562204.db2.gz HFGUPOOJHIMEKZ-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824448214 609562206 /nfs/dbraw/zinc/56/22/06/609562206.db2.gz HFGUPOOJHIMEKZ-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM CC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000825154866 609567121 /nfs/dbraw/zinc/56/71/21/609567121.db2.gz VEFFDSRGQFHTIL-CYBMUJFWSA-N -1 3 380.474 0.252 20 0 GCADHM CC[C@@H](O)CN1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000825154866 609567124 /nfs/dbraw/zinc/56/71/24/609567124.db2.gz VEFFDSRGQFHTIL-CYBMUJFWSA-N -1 3 380.474 0.252 20 0 GCADHM CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825152830 609567185 /nfs/dbraw/zinc/56/71/85/609567185.db2.gz CTPOQWCMBNWDPB-LBPRGKRZSA-N -1 3 384.437 0.083 20 0 GCADHM CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825152830 609567188 /nfs/dbraw/zinc/56/71/88/609567188.db2.gz CTPOQWCMBNWDPB-LBPRGKRZSA-N -1 3 384.437 0.083 20 0 GCADHM O=C(NCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)c1ccn[nH]1 ZINC000826437264 609568011 /nfs/dbraw/zinc/56/80/11/609568011.db2.gz CUADMBFDDPCHAN-UHFFFAOYSA-N -1 3 385.338 0.680 20 0 GCADHM O=C(NCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)c1ccn[nH]1 ZINC000826437264 609568013 /nfs/dbraw/zinc/56/80/13/609568013.db2.gz CUADMBFDDPCHAN-UHFFFAOYSA-N -1 3 385.338 0.680 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(C)C2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259029 609571385 /nfs/dbraw/zinc/57/13/85/609571385.db2.gz FIEZHGJJORKOJG-AWEZNQCLSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(C)C2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259029 609571388 /nfs/dbraw/zinc/57/13/88/609571388.db2.gz FIEZHGJJORKOJG-AWEZNQCLSA-N -1 3 380.412 0.711 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826495653 609572147 /nfs/dbraw/zinc/57/21/47/609572147.db2.gz VWXGEOPSDRCPOG-GJZGRUSLSA-N -1 3 378.458 0.086 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826495653 609572149 /nfs/dbraw/zinc/57/21/49/609572149.db2.gz VWXGEOPSDRCPOG-GJZGRUSLSA-N -1 3 378.458 0.086 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826486434 609572179 /nfs/dbraw/zinc/57/21/79/609572179.db2.gz CKHMYTHELWDUHJ-HZPDHXFCSA-N -1 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399.469 0.460 20 0 GCADHM C[C@H](C(=O)NCCNC(=O)c1ccc([O-])cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000110468282 1197331448 /nfs/dbraw/zinc/33/14/48/1197331448.db2.gz RPGXUWJMEPZCMM-GFCCVEGCSA-N -1 3 388.424 0.491 20 0 GCADHM C[C@H](NC(=O)CCCN1C(=O)CNC1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614825971 1197334787 /nfs/dbraw/zinc/33/47/87/1197334787.db2.gz ZUQXWIDKRUGGMF-QWRGUYRKSA-N -1 3 377.401 0.199 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O ZINC000532641516 1197352384 /nfs/dbraw/zinc/35/23/84/1197352384.db2.gz HFCYZHBTJCYHKW-XIKOKIGWSA-N -1 3 377.445 0.505 20 0 GCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cn(C)c2c(cnn2C)c1=O ZINC000614827313 1197355263 /nfs/dbraw/zinc/35/52/63/1197355263.db2.gz QPTSPNCEMVLVIN-MNOVXSKESA-N -1 3 398.423 0.766 20 0 GCADHM CO[C@@H]1C[C@@H]2C(=O)N(CC[N-]S(=O)(=O)c3ccc(F)cc3F)C(=O)N2C1 ZINC000348663989 1197358417 /nfs/dbraw/zinc/35/84/17/1197358417.db2.gz AGKBJLYDRVTHQW-ZYHUDNBSSA-N -1 3 389.380 0.295 20 0 GCADHM 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O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCc2nccn2C1)c1cnc[n-]c1=O ZINC001003591139 1199597404 /nfs/dbraw/zinc/59/74/04/1199597404.db2.gz BVWMUKHAGBXERI-GBOPCIDUSA-N -1 3 382.424 0.503 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCCn2nccc21)c1cnc[n-]c1=O ZINC001003592899 1199597631 /nfs/dbraw/zinc/59/76/31/1199597631.db2.gz UDIDKBAQOQFPNQ-FIRUKDTASA-N -1 3 382.424 0.818 20 0 GCADHM Cc1ncc(CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)c(=O)[n-]1 ZINC000543314162 1199650393 /nfs/dbraw/zinc/65/03/93/1199650393.db2.gz ABZYKTOZAGPJOE-UHFFFAOYSA-N -1 3 398.466 0.503 20 0 GCADHM O=C(Cn1ccnc1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001003748615 1199651635 /nfs/dbraw/zinc/65/16/35/1199651635.db2.gz FEKKETCSWZFTPK-YUELXQCFSA-N -1 3 382.424 0.818 20 0 GCADHM Cc1ncc(CNC(=O)c2ccccc2S(=O)(=O)CCN(C)C)c(=O)[n-]1 ZINC000543316652 1199652602 /nfs/dbraw/zinc/65/26/02/1199652602.db2.gz MFHNKJFDSAAEEM-UHFFFAOYSA-N -1 3 378.454 0.756 20 0 GCADHM 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386.441 0.604 20 0 GCADHM CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185641919 1205926326 /nfs/dbraw/zinc/92/63/26/1205926326.db2.gz JKULMMKBBHNHLZ-XBFCOCLRSA-N -1 3 395.441 0.238 20 0 GCADHM CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185641919 1205926327 /nfs/dbraw/zinc/92/63/27/1205926327.db2.gz JKULMMKBBHNHLZ-XBFCOCLRSA-N -1 3 395.441 0.238 20 0 GCADHM CCOC(=O)CN1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185631345 1205926346 /nfs/dbraw/zinc/92/63/46/1205926346.db2.gz FTERJQPAXBTYAP-UHFFFAOYSA-N -1 3 394.457 0.173 20 0 GCADHM CCOC(=O)CN1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185631345 1205926348 /nfs/dbraw/zinc/92/63/48/1205926348.db2.gz FTERJQPAXBTYAP-UHFFFAOYSA-N -1 3 394.457 0.173 20 0 GCADHM O=S(=O)(NCc1cc(OCC2CC2)ncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185637762 1205926394 /nfs/dbraw/zinc/92/63/94/1205926394.db2.gz KERNEGGFNSVHEB-UHFFFAOYSA-N -1 3 387.425 0.924 20 0 GCADHM O=S(=O)(NCc1cc(OCC2CC2)ncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185637762 1205926396 /nfs/dbraw/zinc/92/63/96/1205926396.db2.gz KERNEGGFNSVHEB-UHFFFAOYSA-N -1 3 387.425 0.924 20 0 GCADHM O=S(=O)(NCc1cc(OC2COC2)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185621329 1205926747 /nfs/dbraw/zinc/92/67/47/1205926747.db2.gz WEPMOWNBGGYOFH-UHFFFAOYSA-N -1 3 388.409 0.518 20 0 GCADHM O=S(=O)(NCc1cc(OC2COC2)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185621329 1205926748 /nfs/dbraw/zinc/92/67/48/1205926748.db2.gz WEPMOWNBGGYOFH-UHFFFAOYSA-N -1 3 388.409 0.518 20 0 GCADHM CCOC(=O)C1=C(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C)OC1 ZINC001185620458 1205926757 /nfs/dbraw/zinc/92/67/57/1205926757.db2.gz GGAFTPJLAJHSDL-VIFPVBQESA-N -1 3 379.398 0.381 20 0 GCADHM CCOC(=O)C1=C(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C)OC1 ZINC001185620458 1205926758 /nfs/dbraw/zinc/92/67/58/1205926758.db2.gz GGAFTPJLAJHSDL-VIFPVBQESA-N -1 3 379.398 0.381 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)NC1CCCCC1 ZINC001185620300 1205926918 /nfs/dbraw/zinc/92/69/18/1205926918.db2.gz CYYQUJLFYZVXSY-UHFFFAOYSA-N -1 3 378.458 0.984 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)NC1CCCCC1 ZINC001185620300 1205926920 /nfs/dbraw/zinc/92/69/20/1205926920.db2.gz CYYQUJLFYZVXSY-UHFFFAOYSA-N -1 3 378.458 0.984 20 0 GCADHM COC(=O)[C@H](COC(C)(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185622044 1205927044 /nfs/dbraw/zinc/92/70/44/1205927044.db2.gz HGBODSUZKLZVES-LBPRGKRZSA-N -1 3 383.430 0.502 20 0 GCADHM COC(=O)[C@H](COC(C)(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185622044 1205927045 /nfs/dbraw/zinc/92/70/45/1205927045.db2.gz HGBODSUZKLZVES-LBPRGKRZSA-N -1 3 383.430 0.502 20 0 GCADHM CN(CC(=O)NC[C@@H]1CCCN1Cc1ccccc1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185667694 1205927796 /nfs/dbraw/zinc/92/77/96/1205927796.db2.gz OYLQUDPGISBZGM-AWEZNQCLSA-N -1 3 383.389 0.316 20 0 GCADHM CC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N=c1ncnc2[nH][n-]cc1-2 ZINC001185828317 1205929449 /nfs/dbraw/zinc/92/94/49/1205929449.db2.gz SRIROQIWJLJUOL-NEPJUHHUSA-N -1 3 390.400 0.464 20 0 GCADHM COC(=O)[C@H]1CCN(CC(=O)N(C(=S)N=C([O-])OC)c2ccccc2N)C1 ZINC001186109430 1205935238 /nfs/dbraw/zinc/93/52/38/1205935238.db2.gz IXZSKEJDYAZJOP-NSHDSACASA-N -1 3 394.453 0.738 20 0 GCADHM COC(=O)[N-]C(=S)N(C(=O)CN1CC[C@H](C(=O)OC)C1)c1ccccc1N ZINC001186109430 1205935239 /nfs/dbraw/zinc/93/52/39/1205935239.db2.gz IXZSKEJDYAZJOP-NSHDSACASA-N -1 3 394.453 0.738 20 0 GCADHM Cc1nc(CS(=O)(=O)[N-]CC(=O)N2CCN(c3ccccc3)CC2)no1 ZINC001186176508 1205935861 /nfs/dbraw/zinc/93/58/61/1205935861.db2.gz ISRHAYAPNFCXBS-UHFFFAOYSA-N -1 3 379.442 0.146 20 0 GCADHM O=S(=O)([N-]CCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccco1 ZINC001186875612 1205950392 /nfs/dbraw/zinc/95/03/92/1205950392.db2.gz MBKHQQCBGDEHGK-UHFFFAOYSA-N -1 3 399.494 0.564 20 0 GCADHM CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001187007327 1205953435 /nfs/dbraw/zinc/95/34/35/1205953435.db2.gz WVAOSJXGGQANFA-UHFFFAOYSA-N -1 3 388.428 0.968 20 0 GCADHM CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001187007327 1205953437 /nfs/dbraw/zinc/95/34/37/1205953437.db2.gz WVAOSJXGGQANFA-UHFFFAOYSA-N -1 3 388.428 0.968 20 0 GCADHM COC(=O)C[C@H](NC(=O)c1ccccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC001187008840 1205953713 /nfs/dbraw/zinc/95/37/13/1205953713.db2.gz ULGYZKGTLNKMPZ-LBPRGKRZSA-N -1 3 375.385 0.870 20 0 GCADHM COC(=O)C[C@H](NC(=O)c1ccccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC001187008840 1205953716 /nfs/dbraw/zinc/95/37/16/1205953716.db2.gz ULGYZKGTLNKMPZ-LBPRGKRZSA-N -1 3 375.385 0.870 20 0 GCADHM O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)c1ccccc1-c1nnn[n-]1 ZINC001186991007 1205953940 /nfs/dbraw/zinc/95/39/40/1205953940.db2.gz GHPGCCAKCMIWAK-UHFFFAOYSA-N -1 3 379.380 0.986 20 0 GCADHM O=C(Nc1ccc(C(=O)N2CCOCC2)cn1)c1ccccc1-c1nn[n-]n1 ZINC001186991007 1205953942 /nfs/dbraw/zinc/95/39/42/1205953942.db2.gz GHPGCCAKCMIWAK-UHFFFAOYSA-N -1 3 379.380 0.986 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2ccccc2-c2nnn[n-]2)[C@@H]2COC[C@H]12)C1CCC1 ZINC001186992737 1205953956 /nfs/dbraw/zinc/95/39/56/1205953956.db2.gz QGBKXKJMMCVBTN-BZUAXINKSA-N -1 3 382.424 0.622 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2ccccc2-c2nn[n-]n2)[C@@H]2COC[C@H]12)C1CCC1 ZINC001186992737 1205953957 /nfs/dbraw/zinc/95/39/57/1205953957.db2.gz QGBKXKJMMCVBTN-BZUAXINKSA-N -1 3 382.424 0.622 20 0 GCADHM CCOC(=O)c1snc(C(N)=O)c1NC(=O)c1ccccc1-c1nnn[n-]1 ZINC001186991697 1205954213 /nfs/dbraw/zinc/95/42/13/1205954213.db2.gz PEEJDANDFSQTJR-UHFFFAOYSA-N -1 3 387.381 0.851 20 0 GCADHM CCOC(=O)c1snc(C(N)=O)c1NC(=O)c1ccccc1-c1nn[n-]n1 ZINC001186991697 1205954214 /nfs/dbraw/zinc/95/42/14/1205954214.db2.gz PEEJDANDFSQTJR-UHFFFAOYSA-N -1 3 387.381 0.851 20 0 GCADHM CS(=O)(=O)CCCN1CCN(C(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC001186999278 1205954395 /nfs/dbraw/zinc/95/43/95/1205954395.db2.gz KRAFYNQUVNWILA-UHFFFAOYSA-N -1 3 378.458 0.059 20 0 GCADHM CS(=O)(=O)CCCN1CCN(C(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC001186999278 1205954398 /nfs/dbraw/zinc/95/43/98/1205954398.db2.gz KRAFYNQUVNWILA-UHFFFAOYSA-N -1 3 378.458 0.059 20 0 GCADHM CCOCCS(=O)(=O)[N-][C@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001187243682 1205958218 /nfs/dbraw/zinc/95/82/18/1205958218.db2.gz OCYPHJXQQKVPCP-CHWSQXEVSA-N -1 3 382.276 0.799 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@H](O)COc1c(C)cccc1C ZINC001187325074 1205959703 /nfs/dbraw/zinc/95/97/03/1205959703.db2.gz HXTRTJISAOLANG-CYBMUJFWSA-N -1 3 397.453 0.840 20 0 GCADHM Cc1oncc1S(=O)(=O)[N-]C1(Cc2ccccn2)CCS(=O)(=O)CC1 ZINC001187415098 1205962326 /nfs/dbraw/zinc/96/23/26/1205962326.db2.gz YBBYLOGYYMQJAM-UHFFFAOYSA-N -1 3 385.467 0.846 20 0 GCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C(=O)N1c1cnn(C)c1 ZINC001187573989 1205966082 /nfs/dbraw/zinc/96/60/82/1205966082.db2.gz VABGDKPNIODHKS-MEYUZBJRSA-N -1 3 382.486 0.791 20 0 GCADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)C[C@H]2CC3(CCC3)CO2)C(=O)N1c1cnn(C)c1 ZINC001187574064 1205966143 /nfs/dbraw/zinc/96/61/43/1205966143.db2.gz WPWUFHTUMWUSGA-BPLDGKMQSA-N -1 3 382.486 0.793 20 0 GCADHM CC(C)[C@H]([N-]S(=O)(=O)CC1CN(S(C)(=O)=O)C1)C(=O)OC(C)(C)C ZINC001188111152 1205975335 /nfs/dbraw/zinc/97/53/35/1205975335.db2.gz WQZVCHBELGILBC-LBPRGKRZSA-N -1 3 384.520 0.164 20 0 GCADHM COC(=O)CCS(=O)(=O)[N-][C@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001188344608 1205979860 /nfs/dbraw/zinc/97/98/60/1205979860.db2.gz JIMKESPTENTVQY-DGCLKSJQSA-N -1 3 396.259 0.326 20 0 GCADHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCOc1ncccc1C(F)(F)F ZINC001188373111 1205981299 /nfs/dbraw/zinc/98/12/99/1205981299.db2.gz MCPCGMDIPVUALL-HSZRJFAPSA-N -1 3 390.409 0.888 20 0 GCADHM COC(=O)CCS(=O)(=O)[N-]c1ncc(C(=O)OC)cc1Br ZINC001188349355 1205981773 /nfs/dbraw/zinc/98/17/73/1205981773.db2.gz AEBJHZVVIYYPGX-UHFFFAOYSA-N -1 3 381.204 0.936 20 0 GCADHM COC(=O)CCS(=O)(=O)[N-][C@]1(C(=O)OC)CCN(Cc2ccccc2)C1 ZINC001188402045 1205982549 /nfs/dbraw/zinc/98/25/49/1205982549.db2.gz CEZOJUREEROXRR-QGZVFWFLSA-N -1 3 384.454 0.287 20 0 GCADHM Nc1ccc(S(=O)(=O)N(C(=O)c2nc[n-]n2)c2ccc(Cl)nn2)cc1 ZINC001188696141 1205989333 /nfs/dbraw/zinc/98/93/33/1205989333.db2.gz SKALBQLROXEDGL-UHFFFAOYSA-N -1 3 379.789 0.866 20 0 GCADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1ccc2c(c1)C(=O)NCC2 ZINC001189057082 1205994734 /nfs/dbraw/zinc/99/47/34/1205994734.db2.gz NIRLWBNCPJNBNH-UHFFFAOYSA-N -1 3 392.437 0.659 20 0 GCADHM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC001189071687 1205995743 /nfs/dbraw/zinc/99/57/43/1205995743.db2.gz IVGKMHQJSMYOOI-UHFFFAOYSA-N -1 3 396.238 0.619 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)C1 ZINC001189156024 1205998055 /nfs/dbraw/zinc/99/80/55/1205998055.db2.gz SCYXDFDLKAIJIF-NXEZZACHSA-N -1 3 392.396 0.465 20 0 GCADHM COC(=O)c1cc(Cn2cc(I)c(=O)[n-]c2=O)on1 ZINC001189347727 1206002262 /nfs/dbraw/zinc/00/22/62/1206002262.db2.gz HKNOQAFJESUOKC-UHFFFAOYSA-N -1 3 377.094 0.376 20 0 GCADHM NC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(N)=O ZINC001189774377 1206015665 /nfs/dbraw/zinc/01/56/65/1206015665.db2.gz YWCOYSRWPZEEDS-ZETCQYMHSA-N -1 3 384.639 0.110 20 0 GCADHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)C[C@H](COC)OC)CC2)n[n-]1 ZINC001189823368 1206016709 /nfs/dbraw/zinc/01/67/09/1206016709.db2.gz WISCIUSHPXGKTL-LBPRGKRZSA-N -1 3 390.462 0.152 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)C[C@H](COC)OC)CC2)[n-]1 ZINC001189823368 1206016713 /nfs/dbraw/zinc/01/67/13/1206016713.db2.gz WISCIUSHPXGKTL-LBPRGKRZSA-N -1 3 390.462 0.152 20 0 GCADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](CO)Cc1ccc(F)cc1 ZINC001189871734 1206018478 /nfs/dbraw/zinc/01/84/78/1206018478.db2.gz JFGHQSANIOPQRQ-ZDUSSCGKSA-N -1 3 385.417 0.916 20 0 GCADHM COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1c([O-])cc(OC)cc1OC)C2 ZINC001190129743 1206027435 /nfs/dbraw/zinc/02/74/35/1206027435.db2.gz OGJOUIDJAGKXSE-NSHDSACASA-N -1 3 399.421 0.212 20 0 GCADHM COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)c1c([O-])cc(OC)cc1OC ZINC001190130603 1206027552 /nfs/dbraw/zinc/02/75/52/1206027552.db2.gz XKTZLTOFCKCFCN-LKFCYVNXSA-N -1 3 385.394 0.639 20 0 GCADHM CCOC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(F)c(OC)n2)CC1 ZINC001190125511 1206027636 /nfs/dbraw/zinc/02/76/36/1206027636.db2.gz DPEFQGPBKHUAGO-UHFFFAOYSA-N -1 3 375.422 0.535 20 0 GCADHM COc1nc(S(=O)(=O)[N-][C@H](C(=O)N2CCOCC2)C(C)C)ccc1F ZINC001190120213 1206027714 /nfs/dbraw/zinc/02/77/14/1206027714.db2.gz KTVNYCFGLBNLQD-ZDUSSCGKSA-N -1 3 375.422 0.391 20 0 GCADHM COc1nc(S(=O)(=O)[N-][C@@H]2CCN(C(=O)c3ccccn3)C2)ccc1F ZINC001190125486 1206027813 /nfs/dbraw/zinc/02/78/13/1206027813.db2.gz CXTPTOPPBODMLE-LLVKDONJSA-N -1 3 380.401 0.817 20 0 GCADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cc(CN2CCOCC2)on1 ZINC001190194843 1206029307 /nfs/dbraw/zinc/02/93/07/1206029307.db2.gz KJMDFANNMDNDSR-UHFFFAOYSA-N -1 3 392.368 0.660 20 0 GCADHM O=S(=O)([N-][C@@H]1CCC[C@@H]1CO)c1cnn2cc(Br)cnc12 ZINC001190302870 1206032362 /nfs/dbraw/zinc/03/23/62/1206032362.db2.gz LUIKWNHXQSNSMI-PSASIEDQSA-N -1 3 375.248 0.931 20 0 GCADHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)[C@@H](C)O ZINC001190596587 1206039646 /nfs/dbraw/zinc/03/96/46/1206039646.db2.gz 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20 0 GCADHM Cc1nc(NC(=O)COC[C@H]2CCCO2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480370 945076990 /nfs/dbraw/zinc/07/69/90/945076990.db2.gz OBVQOKBQLZMFHP-CQSZACIVSA-N -1 3 384.400 0.312 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N(CCO)CCc1ccccc1 ZINC000738177079 945252709 /nfs/dbraw/zinc/25/27/09/945252709.db2.gz FTUVSOVMQUUOOR-UHFFFAOYSA-N -1 3 380.408 0.869 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N(CCO)CCc1ccccc1 ZINC000738177079 945252718 /nfs/dbraw/zinc/25/27/18/945252718.db2.gz FTUVSOVMQUUOOR-UHFFFAOYSA-N -1 3 380.408 0.869 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000738304338 945259231 /nfs/dbraw/zinc/25/92/31/945259231.db2.gz XOVFLFSGJNEZOO-LBPRGKRZSA-N -1 3 394.432 0.781 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000738304338 945259240 /nfs/dbraw/zinc/25/92/40/945259240.db2.gz XOVFLFSGJNEZOO-LBPRGKRZSA-N -1 3 394.432 0.781 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(c3nnc(C)c(C)c3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000819796121 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382.428 0.921 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](N(C)c3ncc(-c4nnn[n-]4)cc3F)C2)cn1 ZINC001571257588 945341170 /nfs/dbraw/zinc/34/11/70/945341170.db2.gz GMDSUOIDMSSOTQ-ZDUSSCGKSA-N -1 3 385.407 0.968 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](N(C)c3ncc(-c4nn[n-]n4)cc3F)C2)cn1 ZINC001571257588 945341181 /nfs/dbraw/zinc/34/11/81/945341181.db2.gz GMDSUOIDMSSOTQ-ZDUSSCGKSA-N -1 3 385.407 0.968 20 0 GCADHM C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001571257716 945341647 /nfs/dbraw/zinc/34/16/47/945341647.db2.gz HRFJBSWRCXPEGJ-GHMZBOCLSA-N -1 3 385.407 0.955 20 0 GCADHM C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001571257716 945341659 /nfs/dbraw/zinc/34/16/59/945341659.db2.gz HRFJBSWRCXPEGJ-GHMZBOCLSA-N -1 3 385.407 0.955 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2CCCCN2c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001571257743 945343094 /nfs/dbraw/zinc/34/30/94/945343094.db2.gz IRBZUZPTEDUCJK-NSHDSACASA-N -1 3 385.407 0.923 20 0 GCADHM 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O=C(NC[C@@H]1CCCN(C(=O)C2=CCOCC2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571258839 945366786 /nfs/dbraw/zinc/36/67/86/945366786.db2.gz COFVVWMXFSYVEX-LBPRGKRZSA-N -1 3 385.428 0.510 20 0 GCADHM CC(C)(C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)S(C)(=O)=O ZINC000735575519 944673905 /nfs/dbraw/zinc/67/39/05/944673905.db2.gz SOSIBQJZZTXABA-UHFFFAOYSA-N -1 3 392.485 0.334 20 0 GCADHM CC(C)(C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)S(C)(=O)=O ZINC000735575519 944673909 /nfs/dbraw/zinc/67/39/09/944673909.db2.gz SOSIBQJZZTXABA-UHFFFAOYSA-N -1 3 392.485 0.334 20 0 GCADHM COC(=O)Cn1ccc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC000736932089 944912612 /nfs/dbraw/zinc/91/26/12/944912612.db2.gz FGEBWZXRTROOBC-UHFFFAOYSA-N -1 3 387.356 0.262 20 0 GCADHM COC(=O)Cn1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC000736932089 944912618 /nfs/dbraw/zinc/91/26/18/944912618.db2.gz FGEBWZXRTROOBC-UHFFFAOYSA-N -1 3 387.356 0.262 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](CNC(=O)C3=CCOCC3)C2)n1 ZINC001571258904 945370614 /nfs/dbraw/zinc/37/06/14/945370614.db2.gz FCOMLWUHQGAWJW-CQSZACIVSA-N -1 3 385.428 0.238 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@H](CNC(=O)C3=CCOCC3)C2)n1 ZINC001571258904 945370627 /nfs/dbraw/zinc/37/06/27/945370627.db2.gz FCOMLWUHQGAWJW-CQSZACIVSA-N -1 3 385.428 0.238 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571259026 945372866 /nfs/dbraw/zinc/37/28/66/945372866.db2.gz BZDLODGLPJOKDC-JQWIXIFHSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571259026 945372878 /nfs/dbraw/zinc/37/28/78/945372878.db2.gz BZDLODGLPJOKDC-JQWIXIFHSA-N -1 3 385.436 0.016 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C1CC2(CC2)C1 ZINC001571259174 945377148 /nfs/dbraw/zinc/37/71/48/945377148.db2.gz IZBCHXYDCDSPIG-JSGCOSHPSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C1CC2(CC2)C1 ZINC001571259174 945377157 /nfs/dbraw/zinc/37/71/57/945377157.db2.gz IZBCHXYDCDSPIG-JSGCOSHPSA-N -1 3 385.428 0.077 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571259267 945379776 /nfs/dbraw/zinc/37/97/76/945379776.db2.gz KGXKVZWQMBNWFL-CHWSQXEVSA-N -1 3 385.428 0.546 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571259267 945379788 /nfs/dbraw/zinc/37/97/88/945379788.db2.gz KGXKVZWQMBNWFL-CHWSQXEVSA-N -1 3 385.428 0.546 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC2(C1)CCCN(C(=O)[C@H]1CCCO1)C2 ZINC001571259266 945380319 /nfs/dbraw/zinc/38/03/19/945380319.db2.gz KFZSGDQACIBGFJ-CQSZACIVSA-N -1 3 385.428 0.438 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC2(C1)CCCN(C(=O)[C@H]1CCCO1)C2 ZINC001571259266 945380325 /nfs/dbraw/zinc/38/03/25/945380325.db2.gz KFZSGDQACIBGFJ-CQSZACIVSA-N -1 3 385.428 0.438 20 0 GCADHM O=C(CC1(O)CCC1)N1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001571259208 945380414 /nfs/dbraw/zinc/38/04/14/945380414.db2.gz JKJHMTAAVGOQOW-SMDDNHRTSA-N -1 3 385.428 0.173 20 0 GCADHM O=C(CC1(O)CCC1)N1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571259208 945380421 /nfs/dbraw/zinc/38/04/21/945380421.db2.gz JKJHMTAAVGOQOW-SMDDNHRTSA-N -1 3 385.428 0.173 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571259315 945384602 /nfs/dbraw/zinc/38/46/02/945384602.db2.gz KMAUFBHUQCMNKC-HLVVYCRESA-N -1 3 385.428 0.483 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCOC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571259315 945384615 /nfs/dbraw/zinc/38/46/15/945384615.db2.gz KMAUFBHUQCMNKC-HLVVYCRESA-N -1 3 385.428 0.483 20 0 GCADHM CO[C@H](C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1)C1CC1 ZINC001571259415 945384903 /nfs/dbraw/zinc/38/49/03/945384903.db2.gz NALYKSXOQUPEKY-AWEZNQCLSA-N -1 3 385.428 0.294 20 0 GCADHM CO[C@H](C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1)C1CC1 ZINC001571259415 945384912 /nfs/dbraw/zinc/38/49/12/945384912.db2.gz NALYKSXOQUPEKY-AWEZNQCLSA-N -1 3 385.428 0.294 20 0 GCADHM CC(C)c1noc(CNCC2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571259409 945385814 /nfs/dbraw/zinc/38/58/14/945385814.db2.gz MTQDFCQUZPUCEA-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CNCC2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571259409 945385827 /nfs/dbraw/zinc/38/58/27/945385827.db2.gz MTQDFCQUZPUCEA-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571259547 945392080 /nfs/dbraw/zinc/39/20/80/945392080.db2.gz OJQOHKZHUVDQSH-OXHZDVMGSA-N -1 3 385.428 0.686 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571259547 945392091 /nfs/dbraw/zinc/39/20/91/945392091.db2.gz OJQOHKZHUVDQSH-OXHZDVMGSA-N -1 3 385.428 0.686 20 0 GCADHM CCc1noc(CN(C)[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571259621 945394627 /nfs/dbraw/zinc/39/46/27/945394627.db2.gz PGROYQLGEFXFNI-LBPRGKRZSA-N -1 3 385.432 0.877 20 0 GCADHM CCc1noc(CN(C)[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571259621 945394633 /nfs/dbraw/zinc/39/46/33/945394633.db2.gz PGROYQLGEFXFNI-LBPRGKRZSA-N -1 3 385.432 0.877 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259719 945396443 /nfs/dbraw/zinc/39/64/43/945396443.db2.gz PPLVBWFDJFOFHR-BLTAXRJOSA-N -1 3 385.428 0.483 20 0 GCADHM O=C(N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259719 945396453 /nfs/dbraw/zinc/39/64/53/945396453.db2.gz PPLVBWFDJFOFHR-BLTAXRJOSA-N -1 3 385.428 0.483 20 0 GCADHM Cc1nc([C@@H](C)NC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)no1 ZINC001571259830 945399980 /nfs/dbraw/zinc/39/99/80/945399980.db2.gz LBPGSTRZRHFADK-CKYFFXLPSA-N -1 3 385.432 0.945 20 0 GCADHM CCCc1noc(CN2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571259993 945403336 /nfs/dbraw/zinc/40/33/36/945403336.db2.gz VEESRMKHHPUHST-LLVKDONJSA-N -1 3 385.432 0.782 20 0 GCADHM CCCc1noc(CN2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571259993 945403340 /nfs/dbraw/zinc/40/33/40/945403340.db2.gz VEESRMKHHPUHST-LLVKDONJSA-N -1 3 385.432 0.782 20 0 GCADHM CC(C)Cc1noc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571260114 945407615 /nfs/dbraw/zinc/40/76/15/945407615.db2.gz WBWFEETZABMXNI-LBPRGKRZSA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)Cc1noc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571260114 945407619 /nfs/dbraw/zinc/40/76/19/945407619.db2.gz WBWFEETZABMXNI-LBPRGKRZSA-N -1 3 385.432 0.781 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCOC1)C2 ZINC001571260148 945408347 /nfs/dbraw/zinc/40/83/47/945408347.db2.gz WOKCVVYCGRKJDE-FPMFFAJLSA-N -1 3 385.428 0.437 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCOC1)C2 ZINC001571260148 945408355 /nfs/dbraw/zinc/40/83/55/945408355.db2.gz WOKCVVYCGRKJDE-FPMFFAJLSA-N -1 3 385.428 0.437 20 0 GCADHM O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571260245 945411388 /nfs/dbraw/zinc/41/13/88/945411388.db2.gz YUZYGYYLASCTRU-PWNZVWSESA-N -1 3 385.428 0.326 20 0 GCADHM O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571260245 945411394 /nfs/dbraw/zinc/41/13/94/945411394.db2.gz YUZYGYYLASCTRU-PWNZVWSESA-N -1 3 385.428 0.326 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571260248 945411425 /nfs/dbraw/zinc/41/14/25/945411425.db2.gz YWSLWPPHDDQNGX-UQGFQMMYSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571260248 945411428 /nfs/dbraw/zinc/41/14/28/945411428.db2.gz YWSLWPPHDDQNGX-UQGFQMMYSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)C1CCOCC1)C2 ZINC001571260276 945411780 /nfs/dbraw/zinc/41/17/80/945411780.db2.gz ZTRJJFQYUVPKAR-BETUJISGSA-N -1 3 385.428 0.437 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)C1CCOCC1)C2 ZINC001571260276 945411782 /nfs/dbraw/zinc/41/17/82/945411782.db2.gz ZTRJJFQYUVPKAR-BETUJISGSA-N -1 3 385.428 0.437 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@@H]2CCN(C(=O)C3CCOCC3)[C@@H]2C1 ZINC001571260281 945411875 /nfs/dbraw/zinc/41/18/75/945411875.db2.gz ZZDJCTAZKDFRSZ-SWLSCSKDSA-N -1 3 385.428 0.294 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@@H]2CCN(C(=O)C3CCOCC3)[C@@H]2C1 ZINC001571260281 945411880 /nfs/dbraw/zinc/41/18/80/945411880.db2.gz ZZDJCTAZKDFRSZ-SWLSCSKDSA-N -1 3 385.428 0.294 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2O)ns1 ZINC001571261149 945423089 /nfs/dbraw/zinc/42/30/89/945423089.db2.gz BEEIBKGXCJIYPB-CABCVRRESA-N -1 3 385.453 0.607 20 0 GCADHM CN(C(=O)c1ccc(=O)n(C)c1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571261679 945429349 /nfs/dbraw/zinc/42/93/49/945429349.db2.gz IHHQHIAPSFAHKH-UHFFFAOYSA-N -1 3 385.453 0.583 20 0 GCADHM C[C@H](c1csnn1)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571261706 945430905 /nfs/dbraw/zinc/43/09/05/945430905.db2.gz IXGJYYMVQVYPCY-SNVBAGLBSA-N -1 3 385.457 0.955 20 0 GCADHM C[C@H](c1csnn1)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571261706 945430914 /nfs/dbraw/zinc/43/09/14/945430914.db2.gz IXGJYYMVQVYPCY-SNVBAGLBSA-N -1 3 385.457 0.955 20 0 GCADHM C[C@H]([C@H](C)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000820367979 945432683 /nfs/dbraw/zinc/43/26/83/945432683.db2.gz WPVILTFMHOVDIU-UONOGXRCSA-N -1 3 389.460 0.654 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H]1C1CC1 ZINC000820438125 945448795 /nfs/dbraw/zinc/44/87/95/945448795.db2.gz IYRILWIBSLSMCM-XHDPSFHLSA-N -1 3 390.469 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1C1CC1 ZINC000820438125 945448809 /nfs/dbraw/zinc/44/88/09/945448809.db2.gz IYRILWIBSLSMCM-XHDPSFHLSA-N -1 3 390.469 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC2(CCC2)C1 ZINC000820443922 945448897 /nfs/dbraw/zinc/44/88/97/945448897.db2.gz BAPABAOCTXDHQU-LBPRGKRZSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC2(CCC2)C1 ZINC000820443922 945448900 /nfs/dbraw/zinc/44/89/00/945448900.db2.gz BAPABAOCTXDHQU-LBPRGKRZSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ccoc1 ZINC000820443874 945449141 /nfs/dbraw/zinc/44/91/41/945449141.db2.gz AFTSEANLKORJRY-NSHDSACASA-N -1 3 390.425 0.785 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ccoc1 ZINC000820443874 945449149 /nfs/dbraw/zinc/44/91/49/945449149.db2.gz AFTSEANLKORJRY-NSHDSACASA-N -1 3 390.425 0.785 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ccoc1 ZINC000820443873 945449315 /nfs/dbraw/zinc/44/93/15/945449315.db2.gz AFTSEANLKORJRY-LLVKDONJSA-N -1 3 390.425 0.785 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ccoc1 ZINC000820443873 945449321 /nfs/dbraw/zinc/44/93/21/945449321.db2.gz AFTSEANLKORJRY-LLVKDONJSA-N -1 3 390.425 0.785 20 0 GCADHM CC(C)N(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820447109 945452374 /nfs/dbraw/zinc/45/23/74/945452374.db2.gz YGEYRYLQPWCABL-LLVKDONJSA-N -1 3 378.458 0.933 20 0 GCADHM CC(C)N(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820447109 945452383 /nfs/dbraw/zinc/45/23/83/945452383.db2.gz YGEYRYLQPWCABL-LLVKDONJSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000820447118 945452523 /nfs/dbraw/zinc/45/25/23/945452523.db2.gz YGYQMJGDSMVGQD-GRYCIOLGSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000820447118 945452527 /nfs/dbraw/zinc/45/25/27/945452527.db2.gz YGYQMJGDSMVGQD-GRYCIOLGSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1[C@H](C)CC[C@H]1C ZINC000820447127 945453055 /nfs/dbraw/zinc/45/30/55/945453055.db2.gz YGYQMJGDSMVGQD-UTUOFQBUSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1[C@H](C)CC[C@H]1C ZINC000820447127 945453059 /nfs/dbraw/zinc/45/30/59/945453059.db2.gz YGYQMJGDSMVGQD-UTUOFQBUSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000820447121 945453438 /nfs/dbraw/zinc/45/34/38/945453438.db2.gz YGYQMJGDSMVGQD-SRVKXCTJSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000820447121 945453439 /nfs/dbraw/zinc/45/34/39/945453439.db2.gz YGYQMJGDSMVGQD-SRVKXCTJSA-N -1 3 378.458 0.933 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820467510 945457801 /nfs/dbraw/zinc/45/78/01/945457801.db2.gz IXLRETZJDQKOID-HZMBPMFUSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820467510 945457805 /nfs/dbraw/zinc/45/78/05/945457805.db2.gz IXLRETZJDQKOID-HZMBPMFUSA-N -1 3 375.385 0.064 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(Cc1nncs1)CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571263479 945459980 /nfs/dbraw/zinc/45/99/80/945459980.db2.gz RGBXCHLRPFUJDQ-MLGOLLRUSA-N -1 3 385.457 0.973 20 0 GCADHM O=C(N[C@@]12CCC[C@H]1N(Cc1nncs1)CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571263479 945459984 /nfs/dbraw/zinc/45/99/84/945459984.db2.gz RGBXCHLRPFUJDQ-MLGOLLRUSA-N -1 3 385.457 0.973 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@H]2CN(Cc3cnns3)C[C@H]21 ZINC001571263576 945461956 /nfs/dbraw/zinc/46/19/56/945461956.db2.gz UGASYRBUKALMHH-IINYFYTJSA-N -1 3 385.457 0.783 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@H]2CN(Cc3cnns3)C[C@H]21 ZINC001571263576 945461965 /nfs/dbraw/zinc/46/19/65/945461965.db2.gz UGASYRBUKALMHH-IINYFYTJSA-N -1 3 385.457 0.783 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000820502998 945468188 /nfs/dbraw/zinc/46/81/88/945468188.db2.gz XBSKJLXJLSSXHI-MRVPVSSYSA-N -1 3 382.336 0.954 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000820502998 945468203 /nfs/dbraw/zinc/46/82/03/945468203.db2.gz XBSKJLXJLSSXHI-MRVPVSSYSA-N -1 3 382.336 0.954 20 0 GCADHM Cc1nnsc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001571263895 945469286 /nfs/dbraw/zinc/46/92/86/945469286.db2.gz ZFZWAUISJQNXAI-WZRBSPASSA-N -1 3 385.457 0.890 20 0 GCADHM Cc1nnsc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571263895 945469292 /nfs/dbraw/zinc/46/92/92/945469292.db2.gz ZFZWAUISJQNXAI-WZRBSPASSA-N -1 3 385.457 0.890 20 0 GCADHM C[C@@]1(C2CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)NC(=O)NC1=O ZINC000820613331 945498553 /nfs/dbraw/zinc/49/85/53/945498553.db2.gz ZZKKYRAYJPZWEM-SFHVURJKSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@@]1(C2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)NC(=O)NC1=O ZINC000820613331 945498559 /nfs/dbraw/zinc/49/85/59/945498559.db2.gz ZZKKYRAYJPZWEM-SFHVURJKSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820607351 945499201 /nfs/dbraw/zinc/49/92/01/945499201.db2.gz RLFMOILBIKGKAR-KZULUSFZSA-N -1 3 399.411 0.082 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820607228 945499299 /nfs/dbraw/zinc/49/92/99/945499299.db2.gz MZOAXJMRSOSRSB-BPRJSDSCSA-N -1 3 395.423 0.717 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820607228 945499307 /nfs/dbraw/zinc/49/93/07/945499307.db2.gz MZOAXJMRSOSRSB-BPRJSDSCSA-N -1 3 395.423 0.717 20 0 GCADHM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001571265191 945502426 /nfs/dbraw/zinc/50/24/26/945502426.db2.gz GPJBKEVRMBTANK-KBPBESRZSA-N -1 3 385.476 0.568 20 0 GCADHM Cn1cc(Cl)c(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)n1 ZINC001571265868 945523449 /nfs/dbraw/zinc/52/34/49/945523449.db2.gz QYMQUVFEGUNVII-IAZYJMLFSA-N -1 3 385.819 0.513 20 0 GCADHM Cn1cc(Cl)c(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)n1 ZINC001571265868 945523465 /nfs/dbraw/zinc/52/34/65/945523465.db2.gz QYMQUVFEGUNVII-IAZYJMLFSA-N -1 3 385.819 0.513 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001571266435 945540867 /nfs/dbraw/zinc/54/08/67/945540867.db2.gz QPUWNZLMRJDTQF-WCBMZHEXSA-N -1 3 385.475 0.768 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001571266435 945540871 /nfs/dbraw/zinc/54/08/71/945540871.db2.gz QPUWNZLMRJDTQF-WCBMZHEXSA-N -1 3 385.475 0.768 20 0 GCADHM COc1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)on1 ZINC001571267078 945560319 /nfs/dbraw/zinc/56/03/19/945560319.db2.gz IPASBYJICPZMOQ-SNVBAGLBSA-N -1 3 386.372 0.178 20 0 GCADHM COc1cc(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)on1 ZINC001571267078 945560329 /nfs/dbraw/zinc/56/03/29/945560329.db2.gz IPASBYJICPZMOQ-SNVBAGLBSA-N -1 3 386.372 0.178 20 0 GCADHM COC(=O)c1ccn(CCCC(=O)Nc2cnc(OC)c(-c3nnn[n-]3)c2)n1 ZINC001571267248 945564514 /nfs/dbraw/zinc/56/45/14/945564514.db2.gz NTVPYBQNDVEXIV-UHFFFAOYSA-N -1 3 386.372 0.672 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O)c1ccco1 ZINC001571267463 945571758 /nfs/dbraw/zinc/57/17/58/945571758.db2.gz VVSKKRUZEKVKBI-GJZGRUSLSA-N -1 3 386.387 0.964 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O)c1ccco1 ZINC001571267463 945571762 /nfs/dbraw/zinc/57/17/62/945571762.db2.gz VVSKKRUZEKVKBI-GJZGRUSLSA-N -1 3 386.387 0.964 20 0 GCADHM COc1nc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)co1 ZINC001571267606 945574904 /nfs/dbraw/zinc/57/49/04/945574904.db2.gz ZTYRKFLPLGPOCJ-DTORHVGOSA-N -1 3 386.372 0.130 20 0 GCADHM COc1nc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)co1 ZINC001571267606 945574908 /nfs/dbraw/zinc/57/49/08/945574908.db2.gz ZTYRKFLPLGPOCJ-DTORHVGOSA-N -1 3 386.372 0.130 20 0 GCADHM Cn1nncc1C(=O)N1CCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571267638 945575282 /nfs/dbraw/zinc/57/52/82/945575282.db2.gz ASDLUGPDPLZYIH-LLVKDONJSA-N -1 3 386.395 0.636 20 0 GCADHM Cn1nncc1C(=O)N1CCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571267638 945575289 /nfs/dbraw/zinc/57/52/89/945575289.db2.gz ASDLUGPDPLZYIH-LLVKDONJSA-N -1 3 386.395 0.636 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CC[C@@H](NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267686 945577844 /nfs/dbraw/zinc/57/78/44/945577844.db2.gz BRAATAJBGMBJOB-VHSXEESVSA-N -1 3 386.395 0.838 20 0 GCADHM COc1ncc(NC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1-c1nnn[n-]1 ZINC001571267884 945581825 /nfs/dbraw/zinc/58/18/25/945581825.db2.gz HMRQFRKTCCYALN-JTQLQIEISA-N -1 3 386.416 0.793 20 0 GCADHM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@](C)(NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267845 945582240 /nfs/dbraw/zinc/58/22/40/945582240.db2.gz GQESUOGFZMBWAJ-INIZCTEOSA-N -1 3 386.395 0.480 20 0 GCADHM CC[C@H](CO)N1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820908917 945585937 /nfs/dbraw/zinc/58/59/37/945585937.db2.gz RKOMYAOGRAOMSH-OAHLLOKOSA-N -1 3 394.501 0.029 20 0 GCADHM CC[C@H](CO)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820908917 945585943 /nfs/dbraw/zinc/58/59/43/945585943.db2.gz RKOMYAOGRAOMSH-OAHLLOKOSA-N -1 3 394.501 0.029 20 0 GCADHM CO[C@@H]1CCOC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571268094 945588093 /nfs/dbraw/zinc/58/80/93/945588093.db2.gz NSLFGMWFECJMHG-BPLDGKMQSA-N -1 3 386.412 0.140 20 0 GCADHM CO[C@@H]1CCOC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571268094 945588097 /nfs/dbraw/zinc/58/80/97/945588097.db2.gz NSLFGMWFECJMHG-BPLDGKMQSA-N -1 3 386.412 0.140 20 0 GCADHM CC[C@@H](O)CN1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820932962 945590711 /nfs/dbraw/zinc/59/07/11/945590711.db2.gz RPZYEADLPWSJQU-OCCSQVGLSA-N -1 3 391.501 0.422 20 0 GCADHM CCc1nnc(N2CC[C@]3(CC(C(=O)OC)=NO3)C2)c(-c2nnn[n-]2)c1CC ZINC001571268249 945591340 /nfs/dbraw/zinc/59/13/40/945591340.db2.gz POHNCEBJKFWLJQ-KRWDZBQOSA-N -1 3 386.416 0.680 20 0 GCADHM CCc1nnc(N2CC[C@]3(CC(C(=O)OC)=NO3)C2)c(-c2nn[n-]n2)c1CC ZINC001571268249 945591350 /nfs/dbraw/zinc/59/13/50/945591350.db2.gz POHNCEBJKFWLJQ-KRWDZBQOSA-N -1 3 386.416 0.680 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001571268429 945595569 /nfs/dbraw/zinc/59/55/69/945595569.db2.gz RQVFVCBSMRIVTK-MNOVXSKESA-N -1 3 386.395 0.514 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001571268429 945595576 /nfs/dbraw/zinc/59/55/76/945595576.db2.gz RQVFVCBSMRIVTK-MNOVXSKESA-N -1 3 386.395 0.514 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnn(C)c1N ZINC001571268477 945596520 /nfs/dbraw/zinc/59/65/20/945596520.db2.gz SWJUBPLABBCBRB-UFBFGSQYSA-N -1 3 386.395 0.432 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnn(C)c1N ZINC001571268477 945596528 /nfs/dbraw/zinc/59/65/28/945596528.db2.gz SWJUBPLABBCBRB-UFBFGSQYSA-N -1 3 386.395 0.432 20 0 GCADHM Cn1c(C(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)c[nH]c1=O ZINC001571268637 945599548 /nfs/dbraw/zinc/59/95/48/945599548.db2.gz VLEYRJSTMFZFKB-NSHDSACASA-N -1 3 386.391 0.449 20 0 GCADHM Cc1cc(CN[C@@H](C)[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)no1 ZINC001571268950 945607586 /nfs/dbraw/zinc/60/75/86/945607586.db2.gz LJHNMVQANJVBOI-NHYWBVRUSA-N -1 3 386.416 0.511 20 0 GCADHM Cc1c(C(=O)N(C)[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)nnn1C ZINC001571268914 945608506 /nfs/dbraw/zinc/60/85/06/945608506.db2.gz ZJKMHKVWTDIYLQ-LLVKDONJSA-N -1 3 386.395 0.189 20 0 GCADHM Cc1c(C(=O)N(C)[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)nnn1C ZINC001571268914 945608516 /nfs/dbraw/zinc/60/85/16/945608516.db2.gz ZJKMHKVWTDIYLQ-LLVKDONJSA-N -1 3 386.395 0.189 20 0 GCADHM Cc1cnc(CN2CCCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001571268961 945609519 /nfs/dbraw/zinc/60/95/19/945609519.db2.gz LPJCMGAGQIPZFS-CYBMUJFWSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1cnc(CN2CCCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001571268961 945609526 /nfs/dbraw/zinc/60/95/26/945609526.db2.gz LPJCMGAGQIPZFS-CYBMUJFWSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1ncsc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571269670 945623712 /nfs/dbraw/zinc/62/37/12/945623712.db2.gz BXGQFLORVPRGLP-AOOOYVTPSA-N -1 3 386.441 0.898 20 0 GCADHM Cc1ncsc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571269670 945623718 /nfs/dbraw/zinc/62/37/18/945623718.db2.gz BXGQFLORVPRGLP-AOOOYVTPSA-N -1 3 386.441 0.898 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncs1 ZINC001571269850 945625199 /nfs/dbraw/zinc/62/51/99/945625199.db2.gz FFUAHQDPVZWASD-GXSJLCMTSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncs1 ZINC001571269850 945625209 /nfs/dbraw/zinc/62/52/09/945625209.db2.gz FFUAHQDPVZWASD-GXSJLCMTSA-N -1 3 386.441 0.980 20 0 GCADHM CN(C(=O)Cc1cscn1)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571269925 945627181 /nfs/dbraw/zinc/62/71/81/945627181.db2.gz IACDALDTLWAMME-UHFFFAOYSA-N -1 3 386.441 0.613 20 0 GCADHM CN(C(=O)Cc1cscn1)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571269925 945627189 /nfs/dbraw/zinc/62/71/89/945627189.db2.gz IACDALDTLWAMME-UHFFFAOYSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cncs1 ZINC001571269941 945627272 /nfs/dbraw/zinc/62/72/72/945627272.db2.gz IMBYVUOYXKABSS-CABZTGNLSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cncs1 ZINC001571269941 945627280 /nfs/dbraw/zinc/62/72/80/945627280.db2.gz IMBYVUOYXKABSS-CABZTGNLSA-N -1 3 386.441 0.613 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1CNC(=O)c1csnn1 ZINC001571269981 945629881 /nfs/dbraw/zinc/62/98/81/945629881.db2.gz JJSLMVLIBLREMW-LBPRGKRZSA-N -1 3 386.441 0.731 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)c1cn[nH]c(=O)c1 ZINC001571270092 945630879 /nfs/dbraw/zinc/63/08/79/945630879.db2.gz MWLOPUGJEZPSBH-LLVKDONJSA-N -1 3 386.441 0.818 20 0 GCADHM Cc1ncsc1C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571270042 945631098 /nfs/dbraw/zinc/63/10/98/945631098.db2.gz LFYAZSOIKKZQKS-UHFFFAOYSA-N -1 3 386.441 0.994 20 0 GCADHM Cc1ncsc1C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571270042 945631107 /nfs/dbraw/zinc/63/11/07/945631107.db2.gz LFYAZSOIKKZQKS-UHFFFAOYSA-N -1 3 386.441 0.994 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)ns1 ZINC001571270076 945631649 /nfs/dbraw/zinc/63/16/49/945631649.db2.gz MPGMLBUOYILRLY-PSASIEDQSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)ns1 ZINC001571270076 945631652 /nfs/dbraw/zinc/63/16/52/945631652.db2.gz MPGMLBUOYILRLY-PSASIEDQSA-N -1 3 386.441 0.993 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1)c1nccs1 ZINC001571270046 945631696 /nfs/dbraw/zinc/63/16/96/945631696.db2.gz LKCUAXFMFWTPLB-LBPRGKRZSA-N -1 3 386.441 0.744 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1)c1nccs1 ZINC001571270046 945631699 /nfs/dbraw/zinc/63/16/99/945631699.db2.gz LKCUAXFMFWTPLB-LBPRGKRZSA-N -1 3 386.441 0.744 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C2)c1-c1nnn[n-]1 ZINC001571270234 945633420 /nfs/dbraw/zinc/63/34/20/945633420.db2.gz NZNLLRAIOMTSBL-SNVBAGLBSA-N -1 3 386.441 0.657 20 0 GCADHM Cc1ncsc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571270362 945634754 /nfs/dbraw/zinc/63/47/54/945634754.db2.gz RHIFZUTUDRQLHO-SNVBAGLBSA-N -1 3 386.441 0.852 20 0 GCADHM Cc1ncsc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571270362 945634759 /nfs/dbraw/zinc/63/47/59/945634759.db2.gz RHIFZUTUDRQLHO-SNVBAGLBSA-N -1 3 386.441 0.852 20 0 GCADHM Cc1nc(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cs1 ZINC001571270435 945636837 /nfs/dbraw/zinc/63/68/37/945636837.db2.gz TUKVVMCANFJVRL-UHFFFAOYSA-N -1 3 386.441 0.948 20 0 GCADHM Cc1nc(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cs1 ZINC001571270435 945636844 /nfs/dbraw/zinc/63/68/44/945636844.db2.gz TUKVVMCANFJVRL-UHFFFAOYSA-N -1 3 386.441 0.948 20 0 GCADHM Cc1ncsc1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571270384 945637433 /nfs/dbraw/zinc/63/74/33/945637433.db2.gz RYPAZIUVIDWHBW-NSHDSACASA-N -1 3 386.441 0.946 20 0 GCADHM Cc1ncsc1C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571270384 945637438 /nfs/dbraw/zinc/63/74/38/945637438.db2.gz RYPAZIUVIDWHBW-NSHDSACASA-N -1 3 386.441 0.946 20 0 GCADHM Cc1nsc(N2CC[C@@H](NC(=O)Cn3ccccc3=O)C2)c1-c1nnn[n-]1 ZINC001571270603 945638461 /nfs/dbraw/zinc/63/84/61/945638461.db2.gz WKXCQRCAEGLGDC-LLVKDONJSA-N -1 3 386.441 0.188 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)ns1 ZINC001571270648 945641039 /nfs/dbraw/zinc/64/10/39/945641039.db2.gz XORGOXNYEQOMJW-ONGXEEELSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)ns1 ZINC001571270648 945641043 /nfs/dbraw/zinc/64/10/43/945641043.db2.gz XORGOXNYEQOMJW-ONGXEEELSA-N -1 3 386.441 0.993 20 0 GCADHM CCOC(=O)C1(O)CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000821319577 945668395 /nfs/dbraw/zinc/66/83/95/945668395.db2.gz DTELKLLNRHYHTN-UHFFFAOYSA-N -1 3 399.411 0.807 20 0 GCADHM CCOC(=O)C1(O)CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000821319577 945668407 /nfs/dbraw/zinc/66/84/07/945668407.db2.gz DTELKLLNRHYHTN-UHFFFAOYSA-N -1 3 399.411 0.807 20 0 GCADHM CCOC(=O)[C@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821325978 945671040 /nfs/dbraw/zinc/67/10/40/945671040.db2.gz QNWYSYJOOQESSE-AWEZNQCLSA-N -1 3 393.469 0.916 20 0 GCADHM CCOC(=O)[C@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821325978 945671046 /nfs/dbraw/zinc/67/10/46/945671046.db2.gz QNWYSYJOOQESSE-AWEZNQCLSA-N -1 3 393.469 0.916 20 0 GCADHM CN1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571273214 945680949 /nfs/dbraw/zinc/68/09/49/945680949.db2.gz SSPGYJCHZKKXCJ-ZFWWWQNUSA-N -1 3 386.460 0.243 20 0 GCADHM CN1CCO[C@H](C(=O)N2CCC[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571273214 945680955 /nfs/dbraw/zinc/68/09/55/945680955.db2.gz SSPGYJCHZKKXCJ-ZFWWWQNUSA-N -1 3 386.460 0.243 20 0 GCADHM CN(C[C@@H]1CCN1CC(=O)N1CCCCC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571273317 945683681 /nfs/dbraw/zinc/68/36/81/945683681.db2.gz VKLAGBMVVOVXKK-AWEZNQCLSA-N -1 3 386.460 0.354 20 0 GCADHM CN(C[C@@H]1CCN1CC(=O)N1CCCCC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571273317 945683690 /nfs/dbraw/zinc/68/36/90/945683690.db2.gz VKLAGBMVVOVXKK-AWEZNQCLSA-N -1 3 386.460 0.354 20 0 GCADHM CCOCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821373871 945686484 /nfs/dbraw/zinc/68/64/84/945686484.db2.gz NABBLMFXFZOURL-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM CCOCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821373871 945686494 /nfs/dbraw/zinc/68/64/94/945686494.db2.gz NABBLMFXFZOURL-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C)n1 ZINC001571273523 945689949 /nfs/dbraw/zinc/68/99/49/945689949.db2.gz YXJKDYDJIHUUIH-SWLSCSKDSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C)n1 ZINC001571273523 945689959 /nfs/dbraw/zinc/68/99/59/945689959.db2.gz YXJKDYDJIHUUIH-SWLSCSKDSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@@H]2O)on1 ZINC001571273975 945693007 /nfs/dbraw/zinc/69/30/07/945693007.db2.gz ACTPUCURFPIBQB-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C[C@@H]2O)on1 ZINC001571273975 945693011 /nfs/dbraw/zinc/69/30/11/945693011.db2.gz ACTPUCURFPIBQB-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1nonc1CC(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571274919 945701495 /nfs/dbraw/zinc/70/14/95/945701495.db2.gz MPOOLODFVWQSCY-NSHDSACASA-N -1 3 387.379 0.738 20 0 GCADHM Cc1nonc1CC(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571274919 945701498 /nfs/dbraw/zinc/70/14/98/945701498.db2.gz MPOOLODFVWQSCY-NSHDSACASA-N -1 3 387.379 0.738 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3-c3nnn[n-]3)C[C@@H]2O)on1 ZINC001571275067 945702589 /nfs/dbraw/zinc/70/25/89/945702589.db2.gz NXFCVRRVWCOBDJ-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C[C@@H]2O)on1 ZINC001571275067 945702591 /nfs/dbraw/zinc/70/25/91/945702591.db2.gz NXFCVRRVWCOBDJ-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2F)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571275085 945703359 /nfs/dbraw/zinc/70/33/59/945703359.db2.gz ORVYNFZADCFHTD-SCZZXKLOSA-N -1 3 387.379 0.480 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2COCCN2c2cccc(F)c2-c2nnn[n-]2)on1 ZINC001571275523 945706510 /nfs/dbraw/zinc/70/65/10/945706510.db2.gz VOWNTSXWROYDAM-LLVKDONJSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2COCCN2c2cccc(F)c2-c2nn[n-]n2)on1 ZINC001571275523 945706516 /nfs/dbraw/zinc/70/65/16/945706516.db2.gz VOWNTSXWROYDAM-LLVKDONJSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001571275543 945708733 /nfs/dbraw/zinc/70/87/33/945708733.db2.gz WGMZOHKGKGZMCJ-XCBNKYQSSA-N -1 3 387.379 0.853 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001571275543 945708745 /nfs/dbraw/zinc/70/87/45/945708745.db2.gz WGMZOHKGKGZMCJ-XCBNKYQSSA-N -1 3 387.379 0.853 20 0 GCADHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821569419 945718741 /nfs/dbraw/zinc/71/87/41/945718741.db2.gz JQMUQEOMJPKDAI-FPLPWBNLSA-N -1 3 390.469 0.762 20 0 GCADHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCN(S(C)(=O)=O)CC1 ZINC000821569419 945718745 /nfs/dbraw/zinc/71/87/45/945718745.db2.gz JQMUQEOMJPKDAI-FPLPWBNLSA-N -1 3 390.469 0.762 20 0 GCADHM COCc1noc([C@@H](C)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571276011 945720731 /nfs/dbraw/zinc/72/07/31/945720731.db2.gz CBYVOZGZRHEZPN-MWLCHTKSSA-N -1 3 387.404 0.290 20 0 GCADHM COCc1noc([C@@H](C)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571276011 945720739 /nfs/dbraw/zinc/72/07/39/945720739.db2.gz CBYVOZGZRHEZPN-MWLCHTKSSA-N -1 3 387.404 0.290 20 0 GCADHM CCO[C@H]1C[C@@H]1C(=O)N(C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC001571276107 945724342 /nfs/dbraw/zinc/72/43/42/945724342.db2.gz HGOWPZXXEBRJDQ-RDJZCZTQSA-N -1 3 386.456 0.943 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571276231 945727125 /nfs/dbraw/zinc/72/71/25/945727125.db2.gz FVFGKDWDJWMUJT-HJPYRHJCSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571276231 945727131 /nfs/dbraw/zinc/72/71/31/945727131.db2.gz FVFGKDWDJWMUJT-HJPYRHJCSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571276232 945727477 /nfs/dbraw/zinc/72/74/77/945727477.db2.gz FVFGKDWDJWMUJT-PLNRXTSHSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571276232 945727485 /nfs/dbraw/zinc/72/74/85/945727485.db2.gz FVFGKDWDJWMUJT-PLNRXTSHSA-N -1 3 387.419 0.767 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)C2=COCCO2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571276303 945729195 /nfs/dbraw/zinc/72/91/95/945729195.db2.gz HCYSPRJCLUKFCC-JQWIXIFHSA-N -1 3 387.400 0.098 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)C2=COCCO2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571276303 945729205 /nfs/dbraw/zinc/72/92/05/945729205.db2.gz HCYSPRJCLUKFCC-JQWIXIFHSA-N -1 3 387.400 0.098 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)[C@@H]1CCC(=O)NC1 ZINC001571276287 945730482 /nfs/dbraw/zinc/73/04/82/945730482.db2.gz GZMUMBATUGZXEK-OLZOCXBDSA-N -1 3 387.419 0.223 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)C2=COCCO2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571276349 945732072 /nfs/dbraw/zinc/73/20/72/945732072.db2.gz IAUQTBFXINDMHX-LLVKDONJSA-N -1 3 387.400 0.051 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)C2=COCCO2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571276349 945732077 /nfs/dbraw/zinc/73/20/77/945732077.db2.gz IAUQTBFXINDMHX-LLVKDONJSA-N -1 3 387.400 0.051 20 0 GCADHM CO[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571276342 945733198 /nfs/dbraw/zinc/73/31/98/945733198.db2.gz HTYMEIWLEPKLMK-CDYMVBJSSA-N -1 3 387.419 0.767 20 0 GCADHM CO[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001571276342 945733201 /nfs/dbraw/zinc/73/32/01/945733201.db2.gz HTYMEIWLEPKLMK-CDYMVBJSSA-N -1 3 387.419 0.767 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571276729 945736481 /nfs/dbraw/zinc/73/64/81/945736481.db2.gz KLILYVYBJABUGJ-NWDGAFQWSA-N -1 3 387.419 0.792 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571276729 945736490 /nfs/dbraw/zinc/73/64/90/945736490.db2.gz KLILYVYBJABUGJ-NWDGAFQWSA-N -1 3 387.419 0.792 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[C@H](F)C3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571276980 945738955 /nfs/dbraw/zinc/73/89/55/945738955.db2.gz 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ZINC001571279130 945769209 /nfs/dbraw/zinc/76/92/09/945769209.db2.gz JHYZCVUBYYSVBD-QIMFLAQGSA-N -1 3 387.444 0.587 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)CCOCC1 ZINC001571279085 945769334 /nfs/dbraw/zinc/76/93/34/945769334.db2.gz ILMSTHICWJWGHT-ZIAGYGMSSA-N -1 3 387.444 0.134 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)CCOCC1 ZINC001571279085 945769339 /nfs/dbraw/zinc/76/93/39/945769339.db2.gz ILMSTHICWJWGHT-ZIAGYGMSSA-N -1 3 387.444 0.134 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC(NC(=O)C[C@@H]2CCCCO2)C1 ZINC001571279127 945769380 /nfs/dbraw/zinc/76/93/80/945769380.db2.gz JHUFNTFRRPZMKJ-BPCQOVAHSA-N -1 3 387.444 0.873 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC(NC(=O)C[C@@H]2CCCCO2)C1 ZINC001571279127 945769382 /nfs/dbraw/zinc/76/93/82/945769382.db2.gz JHUFNTFRRPZMKJ-BPCQOVAHSA-N -1 3 387.444 0.873 20 0 GCADHM COC1CC(C(=O)N2CCCO[C@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571279116 945770138 /nfs/dbraw/zinc/77/01/38/945770138.db2.gz IYVHTHSQXRSURF-JXQTWKCFSA-N -1 3 387.444 0.716 20 0 GCADHM COC1CC(C(=O)N2CCCO[C@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571279116 945770145 /nfs/dbraw/zinc/77/01/45/945770145.db2.gz IYVHTHSQXRSURF-JXQTWKCFSA-N -1 3 387.444 0.716 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279167 945771227 /nfs/dbraw/zinc/77/12/27/945771227.db2.gz KKBULCFYGCJRBC-ZOWXZIJZSA-N -1 3 387.444 0.588 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279167 945771234 /nfs/dbraw/zinc/77/12/34/945771234.db2.gz KKBULCFYGCJRBC-ZOWXZIJZSA-N -1 3 387.444 0.588 20 0 GCADHM CC[C@@H]1CC[C@@H](C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)O1 ZINC001571279195 945771428 /nfs/dbraw/zinc/77/14/28/945771428.db2.gz KXEXYGLMMIBJCV-HIFRSBDPSA-N -1 3 387.444 0.873 20 0 GCADHM CC[C@@H]1CC[C@@H](C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)O1 ZINC001571279195 945771432 /nfs/dbraw/zinc/77/14/32/945771432.db2.gz KXEXYGLMMIBJCV-HIFRSBDPSA-N -1 3 387.444 0.873 20 0 GCADHM Cc1nnsc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571279183 945772180 /nfs/dbraw/zinc/77/21/80/945772180.db2.gz KQRLUILJTPSVMY-GMSGAONNSA-N -1 3 387.429 0.388 20 0 GCADHM Cc1nnsc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571279183 945772185 /nfs/dbraw/zinc/77/21/85/945772185.db2.gz KQRLUILJTPSVMY-GMSGAONNSA-N -1 3 387.429 0.388 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CO1 ZINC001571279434 945777207 /nfs/dbraw/zinc/77/72/07/945777207.db2.gz OOCGJWDEHAIGIG-DGCLKSJQSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CO1 ZINC001571279434 945777213 /nfs/dbraw/zinc/77/72/13/945777213.db2.gz OOCGJWDEHAIGIG-DGCLKSJQSA-N -1 3 387.444 0.683 20 0 GCADHM CC1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CCCCC1 ZINC001571279481 945779290 /nfs/dbraw/zinc/77/92/90/945779290.db2.gz PUSSCFAMEUETMN-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CCCCC1 ZINC001571279481 945779295 /nfs/dbraw/zinc/77/92/95/945779295.db2.gz PUSSCFAMEUETMN-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H]1COCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571279488 945779529 /nfs/dbraw/zinc/77/95/29/945779529.db2.gz PZGMBNNZUVHHAC-AUZPSNTRSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H]1COCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571279488 945779533 /nfs/dbraw/zinc/77/95/33/945779533.db2.gz PZGMBNNZUVHHAC-AUZPSNTRSA-N -1 3 387.444 0.492 20 0 GCADHM COc1ccsc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571279515 945779597 /nfs/dbraw/zinc/77/95/97/945779597.db2.gz QYOABDUQOZLKHR-JTQLQIEISA-N -1 3 387.425 0.909 20 0 GCADHM COc1ccsc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571279515 945779605 /nfs/dbraw/zinc/77/96/05/945779605.db2.gz QYOABDUQOZLKHR-JTQLQIEISA-N -1 3 387.425 0.909 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001571279516 945780608 /nfs/dbraw/zinc/78/06/08/945780608.db2.gz RAAFSUQJGQYPFD-BXUZGUMPSA-N -1 3 387.444 0.450 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001571279516 945780616 /nfs/dbraw/zinc/78/06/16/945780616.db2.gz RAAFSUQJGQYPFD-BXUZGUMPSA-N -1 3 387.444 0.450 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC001571279595 945781318 /nfs/dbraw/zinc/78/13/18/945781318.db2.gz SPCODZMXRLAVCP-PIMMBPRGSA-N -1 3 387.444 0.873 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC001571279595 945781328 /nfs/dbraw/zinc/78/13/28/945781328.db2.gz SPCODZMXRLAVCP-PIMMBPRGSA-N -1 3 387.444 0.873 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC001571279583 945782317 /nfs/dbraw/zinc/78/23/17/945782317.db2.gz SINDJNNKQNUWNX-JSGCOSHPSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(C(=O)C[C@@H]2CCCOC2)C1 ZINC001571279583 945782325 /nfs/dbraw/zinc/78/23/25/945782325.db2.gz SINDJNNKQNUWNX-JSGCOSHPSA-N -1 3 387.444 0.684 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)c3csc(=O)[nH]3)C2)n1 ZINC001571279570 945782873 /nfs/dbraw/zinc/78/28/73/945782873.db2.gz SGUSLHWWOVVRQS-VIFPVBQESA-N -1 3 387.429 0.384 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571279599 945783041 /nfs/dbraw/zinc/78/30/41/945783041.db2.gz SQZHPJRQZITCBO-WOSRLPQWSA-N -1 3 387.444 0.574 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571279599 945783049 /nfs/dbraw/zinc/78/30/49/945783049.db2.gz SQZHPJRQZITCBO-WOSRLPQWSA-N -1 3 387.444 0.574 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C1CCC1 ZINC001571279759 945786874 /nfs/dbraw/zinc/78/68/74/945786874.db2.gz UVWAUVDVUVYQEW-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C1CCC1 ZINC001571279759 945786880 /nfs/dbraw/zinc/78/68/80/945786880.db2.gz UVWAUVDVUVYQEW-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM COC1CC(C(=O)N(C)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571279736 945787016 /nfs/dbraw/zinc/78/70/16/945787016.db2.gz UKGUTIHGPLLYQF-UHFFFAOYSA-N -1 3 387.444 0.683 20 0 GCADHM COC1CC(C(=O)N(C)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571279736 945787019 /nfs/dbraw/zinc/78/70/19/945787019.db2.gz UKGUTIHGPLLYQF-UHFFFAOYSA-N -1 3 387.444 0.683 20 0 GCADHM Cc1nsc(N[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2C)c1-c1nnn[n-]1 ZINC001571279925 945790165 /nfs/dbraw/zinc/79/01/65/945790165.db2.gz ZSHSPLORABABDL-GMSGAONNSA-N -1 3 387.429 0.700 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571279888 945790459 /nfs/dbraw/zinc/79/04/59/945790459.db2.gz YSAIAFYHQLNOKG-KYOSRNDESA-N -1 3 387.444 0.683 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571279888 945790464 /nfs/dbraw/zinc/79/04/64/945790464.db2.gz YSAIAFYHQLNOKG-KYOSRNDESA-N -1 3 387.444 0.683 20 0 GCADHM COC(=O)c1ccccc1N(C)C(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821670167 945790897 /nfs/dbraw/zinc/79/08/97/945790897.db2.gz PUXOFIUYSBSJMD-UHFFFAOYSA-N -1 3 384.352 0.801 20 0 GCADHM COC(=O)c1ccccc1N(C)C(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821670167 945790904 /nfs/dbraw/zinc/79/09/04/945790904.db2.gz PUXOFIUYSBSJMD-UHFFFAOYSA-N -1 3 384.352 0.801 20 0 GCADHM CO[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1)C1CC1 ZINC001571279894 945791025 /nfs/dbraw/zinc/79/10/25/945791025.db2.gz YTGGACRXLOQOET-KGLIPLIRSA-N -1 3 387.444 0.587 20 0 GCADHM CO[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1)C1CC1 ZINC001571279894 945791033 /nfs/dbraw/zinc/79/10/33/945791033.db2.gz YTGGACRXLOQOET-KGLIPLIRSA-N -1 3 387.444 0.587 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)CC2OCCCO2)C1 ZINC001571279908 945791073 /nfs/dbraw/zinc/79/10/73/945791073.db2.gz ZDMQENXAFIJPTJ-AWEZNQCLSA-N -1 3 387.444 0.842 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)CC2OCCCO2)C1 ZINC001571279908 945791078 /nfs/dbraw/zinc/79/10/78/945791078.db2.gz ZDMQENXAFIJPTJ-AWEZNQCLSA-N -1 3 387.444 0.842 20 0 GCADHM COC1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001571279913 945791372 /nfs/dbraw/zinc/79/13/72/945791372.db2.gz ZHJQHGIHEFBUDS-CPCZMJQVSA-N -1 3 387.444 0.731 20 0 GCADHM COC1CCC(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001571279913 945791381 /nfs/dbraw/zinc/79/13/81/945791381.db2.gz ZHJQHGIHEFBUDS-CPCZMJQVSA-N -1 3 387.444 0.731 20 0 GCADHM CCN1CCO[C@@H](C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571280011 945793376 /nfs/dbraw/zinc/79/33/76/945793376.db2.gz ZLIAHTZSTHGWIM-HUUCEWRRSA-N -1 3 386.460 0.020 20 0 GCADHM CCC1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CCCC1 ZINC001571279940 945793583 /nfs/dbraw/zinc/79/35/83/945793583.db2.gz ZUJOKEXOWRWNNW-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM CCC1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CCCC1 ZINC001571279940 945793593 /nfs/dbraw/zinc/79/35/93/945793593.db2.gz ZUJOKEXOWRWNNW-KGLIPLIRSA-N -1 3 387.444 0.467 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573447343 945799044 /nfs/dbraw/zinc/79/90/44/945799044.db2.gz WXQJMTLDAQVVOL-XJKSGUPXSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573447343 945799051 /nfs/dbraw/zinc/79/90/51/945799051.db2.gz WXQJMTLDAQVVOL-XJKSGUPXSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573447136 945799123 /nfs/dbraw/zinc/79/91/23/945799123.db2.gz WSDNHCPHBAOUCM-MRXNPFEDSA-N -1 3 386.460 0.557 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573447136 945799128 /nfs/dbraw/zinc/79/91/28/945799128.db2.gz WSDNHCPHBAOUCM-MRXNPFEDSA-N -1 3 386.460 0.557 20 0 GCADHM CCn1nncc1C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281211 945800474 /nfs/dbraw/zinc/80/04/74/945800474.db2.gz FLRRAFKTZGSPPY-NSHDSACASA-N -1 3 387.473 0.886 20 0 GCADHM CCn1cc(CC(=O)N[C@@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C2)cn1 ZINC001571281571 945806475 /nfs/dbraw/zinc/80/64/75/945806475.db2.gz IVJDVCSFCVCOGE-GFCCVEGCSA-N -1 3 387.473 0.786 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573448421 945807727 /nfs/dbraw/zinc/80/77/27/945807727.db2.gz JSUHDLRTMLGAAD-DZGCQCFKSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573448421 945807731 /nfs/dbraw/zinc/80/77/31/945807731.db2.gz JSUHDLRTMLGAAD-DZGCQCFKSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573448729 945810260 /nfs/dbraw/zinc/81/02/60/945810260.db2.gz LKYDQUZNXBGKGH-LSDHHAIUSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573448729 945810270 /nfs/dbraw/zinc/81/02/70/945810270.db2.gz LKYDQUZNXBGKGH-LSDHHAIUSA-N -1 3 384.444 0.358 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1CC[C@@](C)(O)C1 ZINC000821688234 945814069 /nfs/dbraw/zinc/81/40/69/945814069.db2.gz DATOVAPWZZGIBS-GOSISDBHSA-N -1 3 391.476 0.717 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN1CC[C@@](C)(O)C1 ZINC000821688234 945814079 /nfs/dbraw/zinc/81/40/79/945814079.db2.gz DATOVAPWZZGIBS-GOSISDBHSA-N -1 3 391.476 0.717 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573449288 945815898 /nfs/dbraw/zinc/81/58/98/945815898.db2.gz XOXOKHMJLAEJBC-IINYFYTJSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573449288 945815906 /nfs/dbraw/zinc/81/59/06/945815906.db2.gz XOXOKHMJLAEJBC-IINYFYTJSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)Nc1nn(-c2ccc(-c3nnn[n-]3)cn2)cc1C ZINC001573449244 945816888 /nfs/dbraw/zinc/81/68/88/945816888.db2.gz VGHSWNQXDIWOMF-CYBMUJFWSA-N -1 3 381.400 0.705 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)Nc1nn(-c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC001573449244 945816906 /nfs/dbraw/zinc/81/69/06/945816906.db2.gz VGHSWNQXDIWOMF-CYBMUJFWSA-N -1 3 381.400 0.705 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573449241 945817767 /nfs/dbraw/zinc/81/77/67/945817767.db2.gz VEAPRFHCTMVMDM-LLVKDONJSA-N -1 3 390.473 0.703 20 0 GCADHM O=C(C[C@@H]1CCCOC1)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571281959 945823499 /nfs/dbraw/zinc/82/34/99/945823499.db2.gz CEFKBHUEQHNKNY-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@@H]1CCCOC1)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571281959 945823513 /nfs/dbraw/zinc/82/35/13/945823513.db2.gz CEFKBHUEQHNKNY-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC(C)(C)CS(C)(=O)=O ZINC001571281991 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3 384.849 0.761 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571282528 945850483 /nfs/dbraw/zinc/85/04/83/945850483.db2.gz JNOWBNINAISYEJ-KGLIPLIRSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571282528 945850495 /nfs/dbraw/zinc/85/04/95/945850495.db2.gz JNOWBNINAISYEJ-KGLIPLIRSA-N -1 3 387.444 0.718 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C(C)C ZINC001573452479 945853261 /nfs/dbraw/zinc/85/32/61/945853261.db2.gz FWRQOQUCKJOFBK-GOSISDBHSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C(C)C ZINC001573452479 945853281 /nfs/dbraw/zinc/85/32/81/945853281.db2.gz FWRQOQUCKJOFBK-GOSISDBHSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573452682 945854363 /nfs/dbraw/zinc/85/43/63/945854363.db2.gz HEQNBIIEKDVZPX-KZULUSFZSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573452682 945854374 /nfs/dbraw/zinc/85/43/74/945854374.db2.gz HEQNBIIEKDVZPX-KZULUSFZSA-N -1 3 388.476 0.753 20 0 GCADHM CC[C@H](NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(=O)NC ZINC001571282610 945854803 /nfs/dbraw/zinc/85/48/03/945854803.db2.gz LUPNXSUHPDPFSC-ZDUSSCGKSA-N -1 3 387.448 0.054 20 0 GCADHM CC[C@H](NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(=O)NC ZINC001571282610 945854820 /nfs/dbraw/zinc/85/48/20/945854820.db2.gz LUPNXSUHPDPFSC-ZDUSSCGKSA-N -1 3 387.448 0.054 20 0 GCADHM O=C([C@@H]1CCOC1)N1CCC(N(CCO)c2ncccc2-c2nnn[n-]2)CC1 ZINC001571282621 945855013 /nfs/dbraw/zinc/85/50/13/945855013.db2.gz LZOWLYHUTFMTIJ-CYBMUJFWSA-N -1 3 387.444 0.088 20 0 GCADHM O=C([C@@H]1CCOC1)N1CCC(N(CCO)c2ncccc2-c2nn[n-]n2)CC1 ZINC001571282621 945855026 /nfs/dbraw/zinc/85/50/26/945855026.db2.gz LZOWLYHUTFMTIJ-CYBMUJFWSA-N -1 3 387.444 0.088 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573452891 945856149 /nfs/dbraw/zinc/85/61/49/945856149.db2.gz IUHRPCXWXWTIGL-KBXCAEBGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573452891 945856158 /nfs/dbraw/zinc/85/61/58/945856158.db2.gz IUHRPCXWXWTIGL-KBXCAEBGSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)CC[S@]1=O ZINC001571282741 945856765 /nfs/dbraw/zinc/85/67/65/945856765.db2.gz PJANCLFAKUGBPG-VKTRGTBVSA-N -1 3 387.462 0.679 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)CC[S@]1=O ZINC001571282741 945856783 /nfs/dbraw/zinc/85/67/83/945856783.db2.gz PJANCLFAKUGBPG-VKTRGTBVSA-N -1 3 387.462 0.679 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573453551 945863686 /nfs/dbraw/zinc/86/36/86/945863686.db2.gz LXZUAVHRLSQHJJ-NHYWBVRUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573453551 945863692 /nfs/dbraw/zinc/86/36/92/945863692.db2.gz 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O=C(NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC001571282985 945868519 /nfs/dbraw/zinc/86/85/19/945868519.db2.gz XOLQAWPHKLOTHB-GXTWGEPZSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571282944 945869652 /nfs/dbraw/zinc/86/96/52/945869652.db2.gz WJRHYFYKTIFNRL-ACJLOTCBSA-N -1 3 387.444 0.454 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571282944 945869660 /nfs/dbraw/zinc/86/96/60/945869660.db2.gz WJRHYFYKTIFNRL-ACJLOTCBSA-N -1 3 387.444 0.454 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573453963 945869977 /nfs/dbraw/zinc/86/99/77/945869977.db2.gz RZCSXFRSQLWNIP-GOSISDBHSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573453963 945869985 /nfs/dbraw/zinc/86/99/85/945869985.db2.gz RZCSXFRSQLWNIP-GOSISDBHSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1)C(C)C 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/nfs/dbraw/zinc/88/39/68/945883968.db2.gz FQBOHIKRAYQLQL-UHFFFAOYSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573455609 945883982 /nfs/dbraw/zinc/88/39/82/945883982.db2.gz FQBOHIKRAYQLQL-UHFFFAOYSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)(C)C1 ZINC001573455611 945886238 /nfs/dbraw/zinc/88/62/38/945886238.db2.gz FQUQSVWRSRJWLY-AWEZNQCLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C1 ZINC001573455611 945886249 /nfs/dbraw/zinc/88/62/49/945886249.db2.gz FQUQSVWRSRJWLY-AWEZNQCLSA-N -1 3 386.460 0.825 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001571283662 945886427 /nfs/dbraw/zinc/88/64/27/945886427.db2.gz HAKFZKAHLNJJRW-LLVKDONJSA-N -1 3 387.835 1.000 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001571283662 945886444 /nfs/dbraw/zinc/88/64/44/945886444.db2.gz HAKFZKAHLNJJRW-LLVKDONJSA-N 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CC(=O)NC(C)(C)C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573455851 945888910 /nfs/dbraw/zinc/88/89/10/945888910.db2.gz HJWSHYHWNMIGKP-BXUZGUMPSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(C)(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573456414 945890264 /nfs/dbraw/zinc/89/02/64/945890264.db2.gz KKFDWUWOBUXTJP-UHFFFAOYSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(C)(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573456414 945890279 /nfs/dbraw/zinc/89/02/79/945890279.db2.gz KKFDWUWOBUXTJP-UHFFFAOYSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573456350 945890405 /nfs/dbraw/zinc/89/04/05/945890405.db2.gz JWUHLCVIFOGWSI-SNUQEOBHSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573456350 945890422 /nfs/dbraw/zinc/89/04/22/945890422.db2.gz JWUHLCVIFOGWSI-SNUQEOBHSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573456591 945893179 /nfs/dbraw/zinc/89/31/79/945893179.db2.gz MNRQLVSSXJJNFU-UHFFFAOYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573456591 945893193 /nfs/dbraw/zinc/89/31/93/945893193.db2.gz MNRQLVSSXJJNFU-UHFFFAOYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1)C(C)C ZINC001573457020 945903560 /nfs/dbraw/zinc/90/35/60/945903560.db2.gz SFARKPIWEZZFAJ-QGZVFWFLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1)C(C)C ZINC001573457020 945903570 /nfs/dbraw/zinc/90/35/70/945903570.db2.gz SFARKPIWEZZFAJ-QGZVFWFLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573460164 945915042 /nfs/dbraw/zinc/91/50/42/945915042.db2.gz JZYDSMUTISJLNK-RKDXNWHRSA-N -1 3 378.412 0.621 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573460164 945915046 /nfs/dbraw/zinc/91/50/46/945915046.db2.gz JZYDSMUTISJLNK-RKDXNWHRSA-N -1 3 378.412 0.621 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001571285399 945916041 /nfs/dbraw/zinc/91/60/41/945916041.db2.gz CPBGBACUCYJTSR-UONOGXRCSA-N -1 3 388.403 0.459 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571285399 945916049 /nfs/dbraw/zinc/91/60/49/945916049.db2.gz CPBGBACUCYJTSR-UONOGXRCSA-N -1 3 388.403 0.459 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001571285400 945916462 /nfs/dbraw/zinc/91/64/62/945916462.db2.gz CPBGBACUCYJTSR-ZIAGYGMSSA-N -1 3 388.403 0.459 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571285400 945916468 /nfs/dbraw/zinc/91/64/68/945916468.db2.gz CPBGBACUCYJTSR-ZIAGYGMSSA-N -1 3 388.403 0.459 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1)[C@H]1COCCO1 ZINC001571285488 945919014 /nfs/dbraw/zinc/91/90/14/945919014.db2.gz GEHHUOZNIJSPDT-GVUJHPQVSA-N -1 3 388.403 0.647 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1)[C@H]1COCCO1 ZINC001571285488 945919020 /nfs/dbraw/zinc/91/90/20/945919020.db2.gz GEHHUOZNIJSPDT-GVUJHPQVSA-N -1 3 388.403 0.647 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1C[C@H](O)[C@H](CO)C1 ZINC001571285591 945919603 /nfs/dbraw/zinc/91/96/03/945919603.db2.gz JJYXSQIHHZIKEM-CABZTGNLSA-N -1 3 388.363 0.008 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573460877 945919898 /nfs/dbraw/zinc/91/98/98/945919898.db2.gz MUCOEZWBBXUROQ-VHSXEESVSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573460877 945919907 /nfs/dbraw/zinc/91/99/07/945919907.db2.gz MUCOEZWBBXUROQ-VHSXEESVSA-N -1 3 390.448 0.123 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573461875 945924498 /nfs/dbraw/zinc/92/44/98/945924498.db2.gz SGIKBDGVRVHVEH-GFCCVEGCSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573461875 945924500 /nfs/dbraw/zinc/92/45/00/945924500.db2.gz SGIKBDGVRVHVEH-GFCCVEGCSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573461880 945924673 /nfs/dbraw/zinc/92/46/73/945924673.db2.gz SMIJGRNWBBDWOV-NSHDSACASA-N -1 3 391.451 0.857 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573461880 945924674 /nfs/dbraw/zinc/92/46/74/945924674.db2.gz SMIJGRNWBBDWOV-NSHDSACASA-N -1 3 391.451 0.857 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573461876 945924907 /nfs/dbraw/zinc/92/49/07/945924907.db2.gz SGIKBDGVRVHVEH-LBPRGKRZSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573461876 945924912 /nfs/dbraw/zinc/92/49/12/945924912.db2.gz SGIKBDGVRVHVEH-LBPRGKRZSA-N -1 3 390.423 0.718 20 0 GCADHM CN1C[C@H](C(=O)NC[C@@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)NC1=O ZINC001571285741 945925154 /nfs/dbraw/zinc/92/51/54/945925154.db2.gz MSMBEBKMYBTNOW-CMPLNLGQSA-N -1 3 388.407 0.114 20 0 GCADHM CN1C[C@H](C(=O)NC[C@@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)NC1=O ZINC001571285741 945925157 /nfs/dbraw/zinc/92/51/57/945925157.db2.gz MSMBEBKMYBTNOW-CMPLNLGQSA-N -1 3 388.407 0.114 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001571285735 945925704 /nfs/dbraw/zinc/92/57/04/945925704.db2.gz MNWWIUPZDGKWNW-ZJUUUORDSA-N -1 3 387.849 0.132 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001571285735 945925710 /nfs/dbraw/zinc/92/57/10/945925710.db2.gz MNWWIUPZDGKWNW-ZJUUUORDSA-N -1 3 387.849 0.132 20 0 GCADHM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C(=O)NCCO)n1C ZINC001571285764 945927155 /nfs/dbraw/zinc/92/71/55/945927155.db2.gz NGGMYOPBIWOOBF-UHFFFAOYSA-N -1 3 388.363 0.022 20 0 GCADHM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C(=O)NCCO)n1C ZINC001571285764 945927159 /nfs/dbraw/zinc/92/71/59/945927159.db2.gz NGGMYOPBIWOOBF-UHFFFAOYSA-N -1 3 388.363 0.022 20 0 GCADHM O=C([C@H]1COCCO1)N1CC[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001571285766 945927312 /nfs/dbraw/zinc/92/73/12/945927312.db2.gz NHMWLNKQNLVUFT-NILFDRSVSA-N -1 3 388.403 0.458 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573462012 945927337 /nfs/dbraw/zinc/92/73/37/945927337.db2.gz VUFTYWADRBFHFN-SNVBAGLBSA-N -1 3 391.501 0.779 20 0 GCADHM O=C([C@H]1COCCO1)N1CC[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001571285766 945927318 /nfs/dbraw/zinc/92/73/18/945927318.db2.gz NHMWLNKQNLVUFT-NILFDRSVSA-N -1 3 388.403 0.458 20 0 GCADHM CN(C(=O)C[C@@H]1COC(=O)C1)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571285812 945928155 /nfs/dbraw/zinc/92/81/55/945928155.db2.gz OPVHXAMCYXDQNR-NSHDSACASA-N -1 3 388.403 0.602 20 0 GCADHM CN(C(=O)C[C@@H]1COC(=O)C1)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571285812 945928166 /nfs/dbraw/zinc/92/81/66/945928166.db2.gz OPVHXAMCYXDQNR-NSHDSACASA-N -1 3 388.403 0.602 20 0 GCADHM Cn1cncc1CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571285788 945928891 /nfs/dbraw/zinc/92/88/91/945928891.db2.gz OEOIJMWGLBYZIN-LLVKDONJSA-N -1 3 387.835 0.586 20 0 GCADHM Cn1cncc1CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571285788 945928903 /nfs/dbraw/zinc/92/89/03/945928903.db2.gz OEOIJMWGLBYZIN-LLVKDONJSA-N -1 3 387.835 0.586 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573462078 945929693 /nfs/dbraw/zinc/92/96/93/945929693.db2.gz YOGLFZBYNGUQKM-UHFFFAOYSA-N -1 3 378.462 0.195 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573462042 945929738 /nfs/dbraw/zinc/92/97/38/945929738.db2.gz WVWUFEFBTVFDLF-UHFFFAOYSA-N -1 3 391.501 0.877 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573462042 945929745 /nfs/dbraw/zinc/92/97/45/945929745.db2.gz WVWUFEFBTVFDLF-UHFFFAOYSA-N -1 3 391.501 0.877 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1-c1nnn[n-]1 ZINC001573462064 945929991 /nfs/dbraw/zinc/92/99/91/945929991.db2.gz XUJODYVMGFEOGH-RYUDHWBXSA-N -1 3 387.419 0.710 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1-c1nn[n-]n1 ZINC001573462064 945929996 /nfs/dbraw/zinc/92/99/96/945929996.db2.gz XUJODYVMGFEOGH-RYUDHWBXSA-N -1 3 387.419 0.710 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285880 945930961 /nfs/dbraw/zinc/93/09/61/945930961.db2.gz QAEKCMYKZQUJCU-STQMWFEESA-N -1 3 388.403 0.650 20 0 GCADHM Cc1ocnc1C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001571285978 945933232 /nfs/dbraw/zinc/93/32/32/945933232.db2.gz TXZHGQFKFSHNPR-VXGBXAGGSA-N -1 3 388.363 0.067 20 0 GCADHM Cc1ocnc1C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001571285978 945933239 /nfs/dbraw/zinc/93/32/39/945933239.db2.gz TXZHGQFKFSHNPR-VXGBXAGGSA-N -1 3 388.363 0.067 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571286067 945934551 /nfs/dbraw/zinc/93/45/51/945934551.db2.gz WYBRSMRNGUHKQG-UHFFFAOYSA-N -1 3 388.382 0.801 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571286067 945934558 /nfs/dbraw/zinc/93/45/58/945934558.db2.gz WYBRSMRNGUHKQG-UHFFFAOYSA-N -1 3 388.382 0.801 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)C1 ZINC001573462401 945940001 /nfs/dbraw/zinc/94/00/01/945940001.db2.gz IEUSWTNVFVHNNZ-WCQYABFASA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)C1 ZINC001573462401 945940014 /nfs/dbraw/zinc/94/00/14/945940014.db2.gz IEUSWTNVFVHNNZ-WCQYABFASA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573462370 945940198 /nfs/dbraw/zinc/94/01/98/945940198.db2.gz HOFVEJADSNKRNV-ZDUSSCGKSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573462370 945940206 /nfs/dbraw/zinc/94/02/06/945940206.db2.gz HOFVEJADSNKRNV-ZDUSSCGKSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC001573462400 945940700 /nfs/dbraw/zinc/94/07/00/945940700.db2.gz IEUSWTNVFVHNNZ-DGCLKSJQSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC001573462400 945940707 /nfs/dbraw/zinc/94/07/07/945940707.db2.gz IEUSWTNVFVHNNZ-DGCLKSJQSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCC1 ZINC001573462467 945941332 /nfs/dbraw/zinc/94/13/32/945941332.db2.gz KDWQBJDQMGGLLG-UHFFFAOYSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCC1 ZINC001573462467 945941335 /nfs/dbraw/zinc/94/13/35/945941335.db2.gz KDWQBJDQMGGLLG-UHFFFAOYSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573462733 945943825 /nfs/dbraw/zinc/94/38/25/945943825.db2.gz MQIBOKIUCLQJEN-JTQLQIEISA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573462679 945944516 /nfs/dbraw/zinc/94/45/16/945944516.db2.gz MCUQKDVWAUCWKQ-CQSZACIVSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573462679 945944526 /nfs/dbraw/zinc/94/45/26/945944526.db2.gz MCUQKDVWAUCWKQ-CQSZACIVSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCC1 ZINC001573463359 945953350 /nfs/dbraw/zinc/95/33/50/945953350.db2.gz VPKMHRASOOCAPK-UHFFFAOYSA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCC1 ZINC001573463359 945953356 /nfs/dbraw/zinc/95/33/56/945953356.db2.gz VPKMHRASOOCAPK-UHFFFAOYSA-N -1 3 390.423 0.766 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)sn1 ZINC001571286808 945959991 /nfs/dbraw/zinc/95/99/91/945959991.db2.gz SBDFBDHDZJZEST-DTORHVGOSA-N -1 3 388.413 0.351 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)sn1 ZINC001571286808 945960007 /nfs/dbraw/zinc/96/00/07/945960007.db2.gz SBDFBDHDZJZEST-DTORHVGOSA-N -1 3 388.413 0.351 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001571286802 945960953 /nfs/dbraw/zinc/96/09/53/945960953.db2.gz RWZSOHKDCPJKLP-UHFFFAOYSA-N -1 3 388.413 0.724 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(S(C)(=O)=O)nn1 ZINC001571286802 945960958 /nfs/dbraw/zinc/96/09/58/945960958.db2.gz RWZSOHKDCPJKLP-UHFFFAOYSA-N -1 3 388.413 0.724 20 0 GCADHM C[C@]1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN(Cc2ncnn2CCF)C1 ZINC001571286914 945962970 /nfs/dbraw/zinc/96/29/70/945962970.db2.gz VOXTXIBWZLLFQZ-INIZCTEOSA-N -1 3 388.411 0.150 20 0 GCADHM C[C@]1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN(Cc2ncnn2CCF)C1 ZINC001571286914 945962972 /nfs/dbraw/zinc/96/29/72/945962972.db2.gz VOXTXIBWZLLFQZ-INIZCTEOSA-N -1 3 388.411 0.150 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573464172 945964470 /nfs/dbraw/zinc/96/44/70/945964470.db2.gz GWYJXWAZLJGSKE-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573464172 945964479 /nfs/dbraw/zinc/96/44/79/945964479.db2.gz GWYJXWAZLJGSKE-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CCOC(=O)C[C@H](O)C(=O)N1CCC(Nc2ccccc2-c2nnn[n-]2)CC1 ZINC001571287005 945966032 /nfs/dbraw/zinc/96/60/32/945966032.db2.gz XUKVBBFHDGKTKJ-HNNXBMFYSA-N -1 3 388.428 0.584 20 0 GCADHM CCOC(=O)C[C@H](O)C(=O)N1CCC(Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001571287005 945966038 /nfs/dbraw/zinc/96/60/38/945966038.db2.gz XUKVBBFHDGKTKJ-HNNXBMFYSA-N -1 3 388.428 0.584 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571287066 945967872 /nfs/dbraw/zinc/96/78/72/945967872.db2.gz ZNTRVUYMZVYAJA-ZYHUDNBSSA-N -1 3 388.407 0.330 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571287066 945967877 /nfs/dbraw/zinc/96/78/77/945967877.db2.gz ZNTRVUYMZVYAJA-ZYHUDNBSSA-N -1 3 388.407 0.330 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571287065 945968057 /nfs/dbraw/zinc/96/80/57/945968057.db2.gz ZNTRVUYMZVYAJA-PWSUYJOCSA-N -1 3 388.407 0.330 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571287065 945968059 /nfs/dbraw/zinc/96/80/59/945968059.db2.gz ZNTRVUYMZVYAJA-PWSUYJOCSA-N -1 3 388.407 0.330 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCN(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573464885 945968480 /nfs/dbraw/zinc/96/84/80/945968480.db2.gz RAOFCTWRISXPDE-UHFFFAOYSA-N -1 3 377.424 0.469 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571287064 945968763 /nfs/dbraw/zinc/96/87/63/945968763.db2.gz ZNTRVUYMZVYAJA-JQWIXIFHSA-N -1 3 388.407 0.330 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571287064 945968772 /nfs/dbraw/zinc/96/87/72/945968772.db2.gz ZNTRVUYMZVYAJA-JQWIXIFHSA-N -1 3 388.407 0.330 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573464579 945969494 /nfs/dbraw/zinc/96/94/94/945969494.db2.gz NKNCHYNQWYSWPB-QMMMGPOBSA-N -1 3 380.478 0.853 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCN(c1nc(C)ccc1-c1nnn[n-]1)C1CC1 ZINC001573465204 945971240 /nfs/dbraw/zinc/97/12/40/945971240.db2.gz UVQCAYWVGHQFRX-UHFFFAOYSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCN(c1nc(C)ccc1-c1nn[n-]n1)C1CC1 ZINC001573465204 945971247 /nfs/dbraw/zinc/97/12/47/945971247.db2.gz UVQCAYWVGHQFRX-UHFFFAOYSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573465493 945973527 /nfs/dbraw/zinc/97/35/27/945973527.db2.gz ZJHJXDSNTMTVPY-BETUJISGSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573465493 945973532 /nfs/dbraw/zinc/97/35/32/945973532.db2.gz ZJHJXDSNTMTVPY-BETUJISGSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573467402 945979946 /nfs/dbraw/zinc/97/99/46/945979946.db2.gz DGZATEIPXJNIGS-NSHDSACASA-N -1 3 390.448 0.028 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573467402 945979954 /nfs/dbraw/zinc/97/99/54/945979954.db2.gz DGZATEIPXJNIGS-NSHDSACASA-N -1 3 390.448 0.028 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573468130 945990154 /nfs/dbraw/zinc/99/01/54/945990154.db2.gz KYUQXCHGOATRAP-BDAKNGLRSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573468130 945990160 /nfs/dbraw/zinc/99/01/60/945990160.db2.gz KYUQXCHGOATRAP-BDAKNGLRSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573468367 945992731 /nfs/dbraw/zinc/99/27/31/945992731.db2.gz NGPLIEQJXUZWHZ-BXUZGUMPSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573468628 945998295 /nfs/dbraw/zinc/99/82/95/945998295.db2.gz PZZOKUHYJLLATP-CABZTGNLSA-N -1 3 392.489 0.805 20 0 GCADHM CSc1ccc(CNC(=O)N[C@@H](CO)c2cnn(C)c2)cc1-c1nnn[n-]1 ZINC001571289553 946008602 /nfs/dbraw/zinc/00/86/02/946008602.db2.gz HKELUTFLJFVXPK-ZDUSSCGKSA-N -1 3 388.457 0.855 20 0 GCADHM CSc1ccc(CNC(=O)N[C@@H](CO)c2cnn(C)c2)cc1-c1nn[n-]n1 ZINC001571289553 946008610 /nfs/dbraw/zinc/00/86/10/946008610.db2.gz HKELUTFLJFVXPK-ZDUSSCGKSA-N -1 3 388.457 0.855 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@H]2CNc2snc(C)c2-c2nnn[n-]2)[nH]1 ZINC001571289494 946010316 /nfs/dbraw/zinc/01/03/16/946010316.db2.gz FYEUWJXOQCDRQX-JTQLQIEISA-N -1 3 388.461 0.704 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](CO)Cc1cccnc1 ZINC001571289678 946016049 /nfs/dbraw/zinc/01/60/49/946016049.db2.gz KAVKZEHNLRBBKV-AWEZNQCLSA-N -1 3 388.453 0.700 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](CO)Cc1cccnc1 ZINC001571289678 946016055 /nfs/dbraw/zinc/01/60/55/946016055.db2.gz KAVKZEHNLRBBKV-AWEZNQCLSA-N -1 3 388.453 0.700 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573470382 946021500 /nfs/dbraw/zinc/02/15/00/946021500.db2.gz DLSNAWDCNPCHIU-DFBGVHRSSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573470382 946021512 /nfs/dbraw/zinc/02/15/12/946021512.db2.gz DLSNAWDCNPCHIU-DFBGVHRSSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C(C)(C)C1 ZINC001573470327 946022031 /nfs/dbraw/zinc/02/20/31/946022031.db2.gz CVPWEKYGWDJIIW-GXSJLCMTSA-N -1 3 392.489 0.805 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573470348 946022210 /nfs/dbraw/zinc/02/22/10/946022210.db2.gz DAVUCEXUBQZNEW-XIKOKIGWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573470348 946022222 /nfs/dbraw/zinc/02/22/22/946022222.db2.gz DAVUCEXUBQZNEW-XIKOKIGWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573470369 946022329 /nfs/dbraw/zinc/02/23/29/946022329.db2.gz DFICPLAASSAZKC-PWSUYJOCSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573470393 946022747 /nfs/dbraw/zinc/02/27/47/946022747.db2.gz DNINTATWFFCVRA-SWLSCSKDSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573470393 946022759 /nfs/dbraw/zinc/02/27/59/946022759.db2.gz DNINTATWFFCVRA-SWLSCSKDSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573470383 946022782 /nfs/dbraw/zinc/02/27/82/946022782.db2.gz DLSNAWDCNPCHIU-KCPJHIHWSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573470383 946022795 /nfs/dbraw/zinc/02/27/95/946022795.db2.gz DLSNAWDCNPCHIU-KCPJHIHWSA-N -1 3 384.444 0.356 20 0 GCADHM Cc1nc(C)c(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)s1 ZINC001571289973 946023819 /nfs/dbraw/zinc/02/38/19/946023819.db2.gz RIHASHNOIXGRIW-CHWSQXEVSA-N -1 3 388.457 0.243 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001573470441 946025350 /nfs/dbraw/zinc/02/53/50/946025350.db2.gz FDYGOKZCUWINHJ-BYCMXARLSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001573470441 946025359 /nfs/dbraw/zinc/02/53/59/946025359.db2.gz FDYGOKZCUWINHJ-BYCMXARLSA-N -1 3 384.444 0.356 20 0 GCADHM Cc1nsc(N2CCCO[C@@H](CNC(=O)c3ccc[nH]3)C2)c1-c1nnn[n-]1 ZINC001571289996 946026576 /nfs/dbraw/zinc/02/65/76/946026576.db2.gz RXSDMBXODSHRNF-NSHDSACASA-N -1 3 388.457 0.985 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573470594 946031167 /nfs/dbraw/zinc/03/11/67/946031167.db2.gz HPDJFGCXQBJBER-CMPLNLGQSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573470594 946031181 /nfs/dbraw/zinc/03/11/81/946031181.db2.gz HPDJFGCXQBJBER-CMPLNLGQSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573470576 946031366 /nfs/dbraw/zinc/03/13/66/946031366.db2.gz HEEJENSEQJOYKA-MWLCHTKSSA-N -1 3 378.462 0.417 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470678 946032255 /nfs/dbraw/zinc/03/22/55/946032255.db2.gz INUWEWJIBUGPJU-PWSUYJOCSA-N -1 3 390.423 0.210 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470678 946032265 /nfs/dbraw/zinc/03/22/65/946032265.db2.gz INUWEWJIBUGPJU-PWSUYJOCSA-N -1 3 390.423 0.210 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)nn1C ZINC001571290227 946035290 /nfs/dbraw/zinc/03/52/90/946035290.db2.gz YDFPITNXCIVHTD-JTQLQIEISA-N -1 3 388.457 0.675 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)nn1C ZINC001571290227 946035304 /nfs/dbraw/zinc/03/53/04/946035304.db2.gz YDFPITNXCIVHTD-JTQLQIEISA-N -1 3 388.457 0.675 20 0 GCADHM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CCC(=O)N2)c1-c1nnn[n-]1 ZINC001571290275 946036390 /nfs/dbraw/zinc/03/63/90/946036390.db2.gz ZDASXTHDLJWGQN-DCAQKATOSA-N -1 3 388.457 0.090 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470785 946036902 /nfs/dbraw/zinc/03/69/02/946036902.db2.gz JORSGCHDOYCYQA-ZWNOBZJWSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470785 946036916 /nfs/dbraw/zinc/03/69/16/946036916.db2.gz JORSGCHDOYCYQA-ZWNOBZJWSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573471113 946042922 /nfs/dbraw/zinc/04/29/22/946042922.db2.gz MDVQJNVKWWTYPP-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573471113 946042936 /nfs/dbraw/zinc/04/29/36/946042936.db2.gz MDVQJNVKWWTYPP-QGHHPUGFSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cc1nnc[nH]1 ZINC001571290528 946045692 /nfs/dbraw/zinc/04/56/92/946045692.db2.gz HYNPALUVNNHVSQ-LDYMZIIASA-N -1 3 388.823 0.677 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573471370 946049919 /nfs/dbraw/zinc/04/99/19/946049919.db2.gz OHYQLLPJCPQGAD-HWPZZCPQSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573471340 946050448 /nfs/dbraw/zinc/05/04/48/946050448.db2.gz NYSAXSSGJWQIBF-GWCFXTLKSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573471340 946050463 /nfs/dbraw/zinc/05/04/63/946050463.db2.gz NYSAXSSGJWQIBF-GWCFXTLKSA-N -1 3 390.423 0.353 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571290642 946050523 /nfs/dbraw/zinc/05/05/23/946050523.db2.gz KQXNPQRBROGWBK-LDYMZIIASA-N -1 3 388.823 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571290642 946050531 /nfs/dbraw/zinc/05/05/31/946050531.db2.gz KQXNPQRBROGWBK-LDYMZIIASA-N -1 3 388.823 0.616 20 0 GCADHM 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OODVZMAVFCVZDZ-BLZCZZARSA-N -1 3 389.460 0.441 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCCCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571293687 946113737 /nfs/dbraw/zinc/11/37/37/946113737.db2.gz PHCSHGQNRAZOCK-UKRRQHHQSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCCCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571293687 946113741 /nfs/dbraw/zinc/11/37/41/946113741.db2.gz PHCSHGQNRAZOCK-UKRRQHHQSA-N -1 3 389.460 0.713 20 0 GCADHM Cc1ncc(C(=O)NC[C@H]2CN(c3snc(C)c3-c3nnn[n-]3)CCO2)[nH]1 ZINC001571293944 946120037 /nfs/dbraw/zinc/12/00/37/946120037.db2.gz WRRPLOUMULOGJU-JTQLQIEISA-N -1 3 389.445 0.298 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573476672 946122805 /nfs/dbraw/zinc/12/28/05/946122805.db2.gz IOJNVHUQARGKSC-JSGCOSHPSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573476672 946122813 /nfs/dbraw/zinc/12/28/13/946122813.db2.gz IOJNVHUQARGKSC-JSGCOSHPSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573476684 946123149 /nfs/dbraw/zinc/12/31/49/946123149.db2.gz IVVSEFQEHLLHOU-FVMDXXJSSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573476684 946123156 /nfs/dbraw/zinc/12/31/56/946123156.db2.gz IVVSEFQEHLLHOU-FVMDXXJSSA-N -1 3 376.396 0.010 20 0 GCADHM Cc1sc(NC(=O)CN2CCC(NC(N)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000822557428 946126550 /nfs/dbraw/zinc/12/65/50/946126550.db2.gz IEMHPMPJBOFKMS-UHFFFAOYSA-N -1 3 378.462 0.616 20 0 GCADHM Cc1sc(NC(=O)CN2CCC(NC(N)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000822557428 946126554 /nfs/dbraw/zinc/12/65/54/946126554.db2.gz IEMHPMPJBOFKMS-UHFFFAOYSA-N -1 3 378.462 0.616 20 0 GCADHM Cc1sc(NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000822558367 946126560 /nfs/dbraw/zinc/12/65/60/946126560.db2.gz PKWKWGQVDMAURL-SNVBAGLBSA-N -1 3 399.502 0.236 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573476871 946126591 /nfs/dbraw/zinc/12/65/91/946126591.db2.gz KJVCSVPZRZRQHT-BXUZGUMPSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573476871 946126594 /nfs/dbraw/zinc/12/65/94/946126594.db2.gz KJVCSVPZRZRQHT-BXUZGUMPSA-N -1 3 389.435 0.611 20 0 GCADHM Cc1sc(NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)c(-c2nn[n-]n2)c1C ZINC000822558367 946126563 /nfs/dbraw/zinc/12/65/63/946126563.db2.gz PKWKWGQVDMAURL-SNVBAGLBSA-N -1 3 399.502 0.236 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573476933 946128371 /nfs/dbraw/zinc/12/83/71/946128371.db2.gz LNFWADHTOJSOHG-GHMZBOCLSA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573476933 946128374 /nfs/dbraw/zinc/12/83/74/946128374.db2.gz LNFWADHTOJSOHG-GHMZBOCLSA-N -1 3 377.424 0.467 20 0 GCADHM Cc1sc(NC(=O)CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(-c2nnn[n-]2)c1C ZINC000822562669 946128637 /nfs/dbraw/zinc/12/86/37/946128637.db2.gz CWSPFNXPGBBRRO-GXSJLCMTSA-N -1 3 398.514 0.991 20 0 GCADHM Cc1sc(NC(=O)CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(-c2nn[n-]n2)c1C ZINC000822562669 946128643 /nfs/dbraw/zinc/12/86/43/946128643.db2.gz CWSPFNXPGBBRRO-GXSJLCMTSA-N -1 3 398.514 0.991 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571294274 946129417 /nfs/dbraw/zinc/12/94/17/946129417.db2.gz CYABYCHQWSTHGD-XYPYZODXSA-N -1 3 389.807 0.122 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571294274 946129424 /nfs/dbraw/zinc/12/94/24/946129424.db2.gz CYABYCHQWSTHGD-XYPYZODXSA-N -1 3 389.807 0.122 20 0 GCADHM Cn1nnc(C(=O)NC2CC(CNc3ncc(-c4nnn[n-]4)cc3Cl)C2)n1 ZINC001571294272 946129849 /nfs/dbraw/zinc/12/98/49/946129849.db2.gz CWARERZPOATHDY-UHFFFAOYSA-N -1 3 389.811 0.059 20 0 GCADHM Cn1nnc(C(=O)NC2CC(CNc3ncc(-c4nn[n-]n4)cc3Cl)C2)n1 ZINC001571294272 946129854 /nfs/dbraw/zinc/12/98/54/946129854.db2.gz CWARERZPOATHDY-UHFFFAOYSA-N -1 3 389.811 0.059 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573477258 946129916 /nfs/dbraw/zinc/12/99/16/946129916.db2.gz NMJGCKFFGRXANT-LBPRGKRZSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573477258 946129921 /nfs/dbraw/zinc/12/99/21/946129921.db2.gz NMJGCKFFGRXANT-LBPRGKRZSA-N -1 3 386.460 0.570 20 0 GCADHM Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571294325 946131446 /nfs/dbraw/zinc/13/14/46/946131446.db2.gz FOAOMBITKZURNY-QMMMGPOBSA-N -1 3 389.807 0.524 20 0 GCADHM Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571294325 946131451 /nfs/dbraw/zinc/13/14/51/946131451.db2.gz FOAOMBITKZURNY-QMMMGPOBSA-N -1 3 389.807 0.524 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CC1(C)C ZINC001573477310 946131762 /nfs/dbraw/zinc/13/17/62/946131762.db2.gz ONPZYIMNMWHXDJ-RNCFNFMXSA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CC1(C)C ZINC001573477310 946131772 /nfs/dbraw/zinc/13/17/72/946131772.db2.gz ONPZYIMNMWHXDJ-RNCFNFMXSA-N -1 3 390.423 0.256 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1(C)C ZINC001573477279 946132683 /nfs/dbraw/zinc/13/26/83/946132683.db2.gz NVMCQUNJQOPOBU-RISCZKNCSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1(C)C ZINC001573477279 946132690 /nfs/dbraw/zinc/13/26/90/946132690.db2.gz NVMCQUNJQOPOBU-RISCZKNCSA-N -1 3 386.460 0.426 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccc(F)cc3-c3nnn[n-]3)cnc21 ZINC000822590196 946133586 /nfs/dbraw/zinc/13/35/86/946133586.db2.gz JTWDTDBAOIGJJI-UHFFFAOYSA-N -1 3 397.326 0.710 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccc(F)cc3-c3nn[n-]n3)cnc21 ZINC000822590196 946133592 /nfs/dbraw/zinc/13/35/92/946133592.db2.gz JTWDTDBAOIGJJI-UHFFFAOYSA-N -1 3 397.326 0.710 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3)cnc21 ZINC000822591581 946133646 /nfs/dbraw/zinc/13/36/46/946133646.db2.gz VXUYPWXGKHOKRB-UHFFFAOYSA-N -1 3 379.336 0.571 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573477343 946134977 /nfs/dbraw/zinc/13/49/77/946134977.db2.gz OVZURBFRMMQLDQ-ABAIWWIYSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573477343 946134983 /nfs/dbraw/zinc/13/49/83/946134983.db2.gz OVZURBFRMMQLDQ-ABAIWWIYSA-N -1 3 384.444 0.261 20 0 GCADHM O=C([C@H]1CCCO1)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]2C1 ZINC001571294460 946136177 /nfs/dbraw/zinc/13/61/77/946136177.db2.gz HSCXACWLJNXGPV-MBNYWOFBSA-N -1 3 389.847 0.989 20 0 GCADHM O=C([C@H]1CCCO1)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]2C1 ZINC001571294460 946136185 /nfs/dbraw/zinc/13/61/85/946136185.db2.gz HSCXACWLJNXGPV-MBNYWOFBSA-N -1 3 389.847 0.989 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573478601 946149344 /nfs/dbraw/zinc/14/93/44/946149344.db2.gz XPMRRLIDMYYTJG-ZYHUDNBSSA-N -1 3 392.489 0.631 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001573478580 946149578 /nfs/dbraw/zinc/14/95/78/946149578.db2.gz XIMXMCMZPIBPJA-RISCZKNCSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001573478580 946149582 /nfs/dbraw/zinc/14/95/82/946149582.db2.gz XIMXMCMZPIBPJA-RISCZKNCSA-N -1 3 386.460 0.507 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571295091 946152831 /nfs/dbraw/zinc/15/28/31/946152831.db2.gz SOJKLIJCXPRFAX-JOYOIKCWSA-N -1 3 390.379 0.160 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571295091 946152838 /nfs/dbraw/zinc/15/28/38/946152838.db2.gz SOJKLIJCXPRFAX-JOYOIKCWSA-N -1 3 390.379 0.160 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571295099 946154532 /nfs/dbraw/zinc/15/45/32/946154532.db2.gz SSHSOZLNMSAMHI-CMPLNLGQSA-N -1 3 390.379 0.302 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571295099 946154538 /nfs/dbraw/zinc/15/45/38/946154538.db2.gz SSHSOZLNMSAMHI-CMPLNLGQSA-N -1 3 390.379 0.302 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001573478983 946154940 /nfs/dbraw/zinc/15/49/40/946154940.db2.gz ZUBATQQBHUKAFD-KQMXJJGSSA-N -1 3 384.444 0.402 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001573478983 946154944 /nfs/dbraw/zinc/15/49/44/946154944.db2.gz ZUBATQQBHUKAFD-KQMXJJGSSA-N -1 3 384.444 0.402 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571295100 946155026 /nfs/dbraw/zinc/15/50/26/946155026.db2.gz SSHSOZLNMSAMHI-JQWIXIFHSA-N -1 3 390.379 0.302 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571295100 946155033 /nfs/dbraw/zinc/15/50/33/946155033.db2.gz SSHSOZLNMSAMHI-JQWIXIFHSA-N -1 3 390.379 0.302 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)NC1 ZINC001571295249 946156774 /nfs/dbraw/zinc/15/67/74/946156774.db2.gz QZJRCYMARCDKHI-NEPJUHHUSA-N -1 3 389.485 0.535 20 0 GCADHM CN(C(=O)Cn1cnnn1)C1CC(Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571295307 946159250 /nfs/dbraw/zinc/15/92/50/946159250.db2.gz XGSRWINZPLCAKI-UHFFFAOYSA-N -1 3 389.811 0.003 20 0 GCADHM CN(C(=O)Cn1cnnn1)C1CC(Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571295307 946159254 /nfs/dbraw/zinc/15/92/54/946159254.db2.gz XGSRWINZPLCAKI-UHFFFAOYSA-N -1 3 389.811 0.003 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CC(Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573479740 946166197 /nfs/dbraw/zinc/16/61/97/946166197.db2.gz GYQZLTVMRDODCL-DUACVJHASA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CC(Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573479740 946166207 /nfs/dbraw/zinc/16/62/07/946166207.db2.gz GYQZLTVMRDODCL-DUACVJHASA-N -1 3 392.851 0.746 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]21)C1=COCCO1 ZINC001571295623 946169555 /nfs/dbraw/zinc/16/95/55/946169555.db2.gz ZUNOJZJSNIBHEV-IWIIMEHWSA-N -1 3 389.803 0.354 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]21)C1=COCCO1 ZINC001571295623 946169560 /nfs/dbraw/zinc/16/95/60/946169560.db2.gz ZUNOJZJSNIBHEV-IWIIMEHWSA-N -1 3 389.803 0.354 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)sn1 ZINC001571295712 946171095 /nfs/dbraw/zinc/17/10/95/946171095.db2.gz CVUJYTRRYYLMJZ-VIFPVBQESA-N -1 3 390.404 0.875 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)sn1 ZINC001571295712 946171101 /nfs/dbraw/zinc/17/11/01/946171101.db2.gz CVUJYTRRYYLMJZ-VIFPVBQESA-N -1 3 390.404 0.875 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)sn1 ZINC001571295711 946171792 /nfs/dbraw/zinc/17/17/92/946171792.db2.gz CVUJYTRRYYLMJZ-SECBINFHSA-N -1 3 390.404 0.875 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)sn1 ZINC001571295711 946171801 /nfs/dbraw/zinc/17/18/01/946171801.db2.gz CVUJYTRRYYLMJZ-SECBINFHSA-N -1 3 390.404 0.875 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](c2nncn2C)C1 ZINC001571295861 946177928 /nfs/dbraw/zinc/17/79/28/946177928.db2.gz HRIJWFMHWIGARU-NSHDSACASA-N -1 3 390.429 0.182 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](c2nncn2C)C1 ZINC001571295861 946177941 /nfs/dbraw/zinc/17/79/41/946177941.db2.gz HRIJWFMHWIGARU-NSHDSACASA-N -1 3 390.429 0.182 20 0 GCADHM CN1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571295967 946178728 /nfs/dbraw/zinc/17/87/28/946178728.db2.gz KMMDCOPZSGDZCD-MPKXVKKWSA-N -1 3 390.423 0.038 20 0 GCADHM CN1CCO[C@@H](C(=O)N[C@H]2C[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571295967 946178730 /nfs/dbraw/zinc/17/87/30/946178730.db2.gz KMMDCOPZSGDZCD-MPKXVKKWSA-N -1 3 390.423 0.038 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573481347 946179698 /nfs/dbraw/zinc/17/96/98/946179698.db2.gz OGNXDLLDVDWJJP-JTQLQIEISA-N -1 3 375.408 0.078 20 0 GCADHM O=C(c1csc(=O)[nH]1)N1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571295929 946180403 /nfs/dbraw/zinc/18/04/03/946180403.db2.gz JQEOLBFPRJXKMZ-UHFFFAOYSA-N -1 3 390.404 0.915 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573481616 946183990 /nfs/dbraw/zinc/18/39/90/946183990.db2.gz PZPKXBLOCBNKMH-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573481616 946183997 /nfs/dbraw/zinc/18/39/97/946183997.db2.gz PZPKXBLOCBNKMH-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CCn1ncc(NC(=O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC001571296164 946188029 /nfs/dbraw/zinc/18/80/29/946188029.db2.gz PIBNKVOAPXDGQH-UHFFFAOYSA-N -1 3 390.429 0.309 20 0 GCADHM CCn1ncc(NC(=O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC001571296164 946188037 /nfs/dbraw/zinc/18/80/37/946188037.db2.gz PIBNKVOAPXDGQH-UHFFFAOYSA-N -1 3 390.429 0.309 20 0 GCADHM Cc1nsc(N2CCO[C@H](CNC(=O)c3ncoc3C)C2)c1-c1nnn[n-]1 ZINC001571296256 946190047 /nfs/dbraw/zinc/19/00/47/946190047.db2.gz RXCTZXOZNHCAQA-SNVBAGLBSA-N -1 3 390.429 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573482441 946195599 /nfs/dbraw/zinc/19/55/99/946195599.db2.gz WQCPVUVAZKCGHN-CMPLNLGQSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573482441 946195605 /nfs/dbraw/zinc/19/56/05/946195605.db2.gz WQCPVUVAZKCGHN-CMPLNLGQSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573482442 946196317 /nfs/dbraw/zinc/19/63/17/946196317.db2.gz WQCPVUVAZKCGHN-JQWIXIFHSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573482442 946196323 /nfs/dbraw/zinc/19/63/23/946196323.db2.gz WQCPVUVAZKCGHN-JQWIXIFHSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573482584 946198745 /nfs/dbraw/zinc/19/87/45/946198745.db2.gz YJBRULVTSWTFDP-MWLCHTKSSA-N -1 3 380.478 0.709 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573482582 946199214 /nfs/dbraw/zinc/19/92/14/946199214.db2.gz YJBRULVTSWTFDP-GXSJLCMTSA-N -1 3 380.478 0.709 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573482935 946206207 /nfs/dbraw/zinc/20/62/07/946206207.db2.gz CDWXVEMGMVWHJH-JTQLQIEISA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573482935 946206219 /nfs/dbraw/zinc/20/62/19/946206219.db2.gz CDWXVEMGMVWHJH-JTQLQIEISA-N -1 3 375.408 0.615 20 0 GCADHM NC(=O)c1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c[nH]1 ZINC000822880541 946209136 /nfs/dbraw/zinc/20/91/36/946209136.db2.gz RBPRJYQSCYZOEM-UHFFFAOYSA-N -1 3 396.411 0.507 20 0 GCADHM NC(=O)c1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c[nH]1 ZINC000822880541 946209145 /nfs/dbraw/zinc/20/91/45/946209145.db2.gz RBPRJYQSCYZOEM-UHFFFAOYSA-N -1 3 396.411 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1(CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573483380 946209329 /nfs/dbraw/zinc/20/93/29/946209329.db2.gz FLDMTTJCAPAIAC-JTQLQIEISA-N -1 3 392.489 0.855 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573483367 946209605 /nfs/dbraw/zinc/20/96/05/946209605.db2.gz FCFASVKXLFBCRR-ZYHUDNBSSA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573483973 946211506 /nfs/dbraw/zinc/21/15/06/946211506.db2.gz IGADNLMXESWWNW-YRGRVCCFSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573483973 946211519 /nfs/dbraw/zinc/21/15/19/946211519.db2.gz IGADNLMXESWWNW-YRGRVCCFSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573484020 946214272 /nfs/dbraw/zinc/21/42/72/946214272.db2.gz JJZOUBDXYNJUPN-FRJFDASCSA-N -1 3 389.485 0.674 20 0 GCADHM Nc1nccnc1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000822907398 946216259 /nfs/dbraw/zinc/21/62/59/946216259.db2.gz KXRCRDXDUZLGBL-UHFFFAOYSA-N -1 3 381.400 0.452 20 0 GCADHM Nc1nccnc1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000822907398 946216270 /nfs/dbraw/zinc/21/62/70/946216270.db2.gz KXRCRDXDUZLGBL-UHFFFAOYSA-N -1 3 381.400 0.452 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCN(Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573485342 946223062 /nfs/dbraw/zinc/22/30/62/946223062.db2.gz QRCNQMPLLSHHEU-NSHDSACASA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573485354 946224867 /nfs/dbraw/zinc/22/48/67/946224867.db2.gz QWZGEPVOBPYTGA-TZMCWYRMSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573485354 946224880 /nfs/dbraw/zinc/22/48/80/946224880.db2.gz QWZGEPVOBPYTGA-TZMCWYRMSA-N -1 3 386.460 0.427 20 0 GCADHM NC(=O)[C@H]1CC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571298624 946224865 /nfs/dbraw/zinc/22/48/65/946224865.db2.gz BOASZMVXXPKVQS-XWLWVQCSSA-N -1 3 390.835 0.486 20 0 GCADHM NC(=O)[C@H]1CC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571298624 946224877 /nfs/dbraw/zinc/22/48/77/946224877.db2.gz BOASZMVXXPKVQS-XWLWVQCSSA-N -1 3 390.835 0.486 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCCS1(=O)=O ZINC001571298714 946226845 /nfs/dbraw/zinc/22/68/45/946226845.db2.gz PTZFLXVPNURTHG-GJZGRUSLSA-N -1 3 390.469 0.134 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCCS1(=O)=O ZINC001571298714 946226854 /nfs/dbraw/zinc/22/68/54/946226854.db2.gz PTZFLXVPNURTHG-GJZGRUSLSA-N -1 3 390.469 0.134 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001571298719 946227177 /nfs/dbraw/zinc/22/71/77/946227177.db2.gz PVGSKIJCPSANCF-AWEZNQCLSA-N -1 3 390.469 0.436 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001571298719 946227188 /nfs/dbraw/zinc/22/71/88/946227188.db2.gz PVGSKIJCPSANCF-AWEZNQCLSA-N -1 3 390.469 0.436 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573485512 946227428 /nfs/dbraw/zinc/22/74/28/946227428.db2.gz UNRUMRHGDSJKRO-KWCYVHTRSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573485512 946227442 /nfs/dbraw/zinc/22/74/42/946227442.db2.gz UNRUMRHGDSJKRO-KWCYVHTRSA-N -1 3 386.460 0.792 20 0 GCADHM Cc1nsc(NC2CC(CNC(=O)[C@@H]3CCC(=O)N3C)C2)c1-c1nnn[n-]1 ZINC001571298795 946229949 /nfs/dbraw/zinc/22/99/49/946229949.db2.gz RDDGOOYTYUQFDI-ILDUYXDCSA-N -1 3 390.473 0.559 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573486035 946235537 /nfs/dbraw/zinc/23/55/37/946235537.db2.gz BYAZRLRZOOLFOL-MRVWCRGKSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573486035 946235548 /nfs/dbraw/zinc/23/55/48/946235548.db2.gz BYAZRLRZOOLFOL-MRVWCRGKSA-N -1 3 386.460 0.873 20 0 GCADHM Cc1nsc(NC[C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571299444 946250776 /nfs/dbraw/zinc/25/07/76/946250776.db2.gz WIPXOJXRIUJBBD-MNOVXSKESA-N -1 3 390.473 0.561 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1F ZINC001573487495 946253382 /nfs/dbraw/zinc/25/33/82/946253382.db2.gz PENNRKMRLZMRIH-KNEYZDPSSA-N -1 3 388.407 0.151 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1F ZINC001573487495 946253390 /nfs/dbraw/zinc/25/33/90/946253390.db2.gz PENNRKMRLZMRIH-KNEYZDPSSA-N -1 3 388.407 0.151 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573487604 946253792 /nfs/dbraw/zinc/25/37/92/946253792.db2.gz PUIUXIUWRSTMJM-ONOSFVFSSA-N -1 3 378.824 0.499 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573487604 946253800 /nfs/dbraw/zinc/25/38/00/946253800.db2.gz PUIUXIUWRSTMJM-ONOSFVFSSA-N -1 3 378.824 0.499 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573487685 946255528 /nfs/dbraw/zinc/25/55/28/946255528.db2.gz RLCBICQCHVXZRY-YUSALJHKSA-N -1 3 392.489 0.996 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571299672 946258479 /nfs/dbraw/zinc/25/84/79/946258479.db2.gz OKQQDECVOMEURQ-KOLCDFICSA-N -1 3 390.835 0.454 20 0 GCADHM O=C([C@@H]1CCC(=O)NC1)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571299672 946258491 /nfs/dbraw/zinc/25/84/91/946258491.db2.gz OKQQDECVOMEURQ-KOLCDFICSA-N -1 3 390.835 0.454 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573488192 946267251 /nfs/dbraw/zinc/26/72/51/946267251.db2.gz ZYXBOYPEOJFJER-HLUHBDAQSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573488192 946267260 /nfs/dbraw/zinc/26/72/60/946267260.db2.gz ZYXBOYPEOJFJER-HLUHBDAQSA-N -1 3 376.396 0.232 20 0 GCADHM O=C(NC1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1)[C@@H]1CCC(=O)N1 ZINC001571300067 946271438 /nfs/dbraw/zinc/27/14/38/946271438.db2.gz SOSPNENDHSRSLN-LBPRGKRZSA-N -1 3 390.835 0.279 20 0 GCADHM O=C(NC1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1)[C@@H]1CCC(=O)N1 ZINC001571300067 946271450 /nfs/dbraw/zinc/27/14/50/946271450.db2.gz SOSPNENDHSRSLN-LBPRGKRZSA-N -1 3 390.835 0.279 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488750 946275307 /nfs/dbraw/zinc/27/53/07/946275307.db2.gz LDXCCOWETUKGGP-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488750 946275318 /nfs/dbraw/zinc/27/53/18/946275318.db2.gz LDXCCOWETUKGGP-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM O=C([C@@H]1CCNC(=O)C1)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571300195 946276400 /nfs/dbraw/zinc/27/64/00/946276400.db2.gz WMVNMLGFRFLCAB-KOLCDFICSA-N -1 3 390.835 0.454 20 0 GCADHM O=C([C@@H]1CCNC(=O)C1)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571300195 946276408 /nfs/dbraw/zinc/27/64/08/946276408.db2.gz WMVNMLGFRFLCAB-KOLCDFICSA-N -1 3 390.835 0.454 20 0 GCADHM Cc1nc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)oc1C ZINC001571301770 946282072 /nfs/dbraw/zinc/28/20/72/946282072.db2.gz CQKJRVGVDWVRET-VIFPVBQESA-N -1 3 391.413 0.777 20 0 GCADHM Cc1nc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)oc1C ZINC001571301770 946282080 /nfs/dbraw/zinc/28/20/80/946282080.db2.gz CQKJRVGVDWVRET-VIFPVBQESA-N -1 3 391.413 0.777 20 0 GCADHM CC1(C)CN(C(=O)[C@@H]2COCCO2)C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571301798 946283077 /nfs/dbraw/zinc/28/30/77/946283077.db2.gz DOXUHLVYUWHEHK-STQMWFEESA-N -1 3 391.407 0.465 20 0 GCADHM CC1(C)CN(C(=O)[C@@H]2COCCO2)C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571301798 946283087 /nfs/dbraw/zinc/28/30/87/946283087.db2.gz DOXUHLVYUWHEHK-STQMWFEESA-N -1 3 391.407 0.465 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823031875 946283215 /nfs/dbraw/zinc/28/32/15/946283215.db2.gz IOXBOFDPCKRCJE-LSDHHAIUSA-N -1 3 391.453 0.814 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 ZINC001571301945 946287337 /nfs/dbraw/zinc/28/73/37/946287337.db2.gz IUOWUXSOANEASE-AVWBDOJWSA-N -1 3 391.382 0.769 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C(F)F)[C@@H]2C1 ZINC001571301945 946287348 /nfs/dbraw/zinc/28/73/48/946287348.db2.gz IUOWUXSOANEASE-AVWBDOJWSA-N -1 3 391.382 0.769 20 0 GCADHM CC(=O)c1cnccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571301953 946287958 /nfs/dbraw/zinc/28/79/58/946287958.db2.gz IYAGSUMRXPMKAF-CYBMUJFWSA-N -1 3 391.391 0.878 20 0 GCADHM CC(=O)c1cnccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571301953 946287969 /nfs/dbraw/zinc/28/79/69/946287969.db2.gz IYAGSUMRXPMKAF-CYBMUJFWSA-N -1 3 391.391 0.878 20 0 GCADHM O=C([C@H]1CCOC1)N1CCCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571301985 946289594 /nfs/dbraw/zinc/28/95/94/946289594.db2.gz KOTNJPKEARIUQM-WCQYABFASA-N -1 3 391.407 0.467 20 0 GCADHM O=C([C@H]1CCOC1)N1CCCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571301985 946289599 /nfs/dbraw/zinc/28/95/99/946289599.db2.gz KOTNJPKEARIUQM-WCQYABFASA-N -1 3 391.407 0.467 20 0 GCADHM C[C@]12CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]1CN(C(=O)[C@H]1CC1(F)F)C2 ZINC001571301994 946290110 /nfs/dbraw/zinc/29/01/10/946290110.db2.gz KXVPXHMIXQJMGF-LYOVBCGYSA-N -1 3 391.382 0.771 20 0 GCADHM C[C@]12CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]1CN(C(=O)[C@H]1CC1(F)F)C2 ZINC001571301994 946290123 /nfs/dbraw/zinc/29/01/23/946290123.db2.gz KXVPXHMIXQJMGF-LYOVBCGYSA-N -1 3 391.382 0.771 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823043854 946291789 /nfs/dbraw/zinc/29/17/89/946291789.db2.gz KBXDKPWWKGLPSY-OAHLLOKOSA-N -1 3 386.412 0.142 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823043854 946291797 /nfs/dbraw/zinc/29/17/97/946291797.db2.gz KBXDKPWWKGLPSY-OAHLLOKOSA-N -1 3 386.412 0.142 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)[C@@H]1COCCO1 ZINC001571302135 946293603 /nfs/dbraw/zinc/29/36/03/946293603.db2.gz PHMRXANJSCDBHX-OCCSQVGLSA-N -1 3 391.407 0.291 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)[C@@H]1COCCO1 ZINC001571302135 946293613 /nfs/dbraw/zinc/29/36/13/946293613.db2.gz PHMRXANJSCDBHX-OCCSQVGLSA-N -1 3 391.407 0.291 20 0 GCADHM O=C(CC1OCCCO1)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571302185 946294788 /nfs/dbraw/zinc/29/47/88/946294788.db2.gz QMZVVVYZORVUCE-NSHDSACASA-N -1 3 391.407 0.814 20 0 GCADHM O=C(CC1OCCCO1)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571302185 946294801 /nfs/dbraw/zinc/29/48/01/946294801.db2.gz QMZVVVYZORVUCE-NSHDSACASA-N -1 3 391.407 0.814 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC2(CN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC001571302306 946299934 /nfs/dbraw/zinc/29/99/34/946299934.db2.gz UJHFHRQGARCNOX-JTQLQIEISA-N -1 3 391.382 0.915 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC2(CN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC001571302306 946299940 /nfs/dbraw/zinc/29/99/40/946299940.db2.gz UJHFHRQGARCNOX-JTQLQIEISA-N -1 3 391.382 0.915 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1 ZINC001571302452 946303329 /nfs/dbraw/zinc/30/33/29/946303329.db2.gz YCGZCPCOVYBRPB-OPQQBVKSSA-N -1 3 391.382 0.913 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)[C@@H]2C1 ZINC001571302452 946303338 /nfs/dbraw/zinc/30/33/38/946303338.db2.gz YCGZCPCOVYBRPB-OPQQBVKSSA-N -1 3 391.382 0.913 20 0 GCADHM O=C([C@H]1CCCCO1)N1CCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571302492 946304557 /nfs/dbraw/zinc/30/45/57/946304557.db2.gz ZEDSXYWYKMKFQO-GXTWGEPZSA-N -1 3 391.407 0.609 20 0 GCADHM O=C([C@H]1CCCCO1)N1CCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571302492 946304568 /nfs/dbraw/zinc/30/45/68/946304568.db2.gz ZEDSXYWYKMKFQO-GXTWGEPZSA-N -1 3 391.407 0.609 20 0 GCADHM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573495028 946306666 /nfs/dbraw/zinc/30/66/66/946306666.db2.gz OBPSWVAZSUNXPL-LMWSTFAQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573495028 946306681 /nfs/dbraw/zinc/30/66/81/946306681.db2.gz OBPSWVAZSUNXPL-LMWSTFAQSA-N -1 3 386.460 0.873 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)[C@@H]1Cc2ccccc21 ZINC001571302725 946312408 /nfs/dbraw/zinc/31/24/08/946312408.db2.gz ACUORVJUFUTESW-NVXWUHKLSA-N -1 3 391.435 0.923 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)[C@@H]1Cc2ccccc21 ZINC001571302725 946312422 /nfs/dbraw/zinc/31/24/22/946312422.db2.gz ACUORVJUFUTESW-NVXWUHKLSA-N -1 3 391.435 0.923 20 0 GCADHM CC(=O)N[C@H]1CC2(CN(Cc3cc(-c4nnn[n-]4)ccc3F)C2)n2ccnc21 ZINC001573495811 946314063 /nfs/dbraw/zinc/31/40/63/946314063.db2.gz TYIPXOYIFWJZAC-HNNXBMFYSA-N -1 3 382.403 0.994 20 0 GCADHM CC(=O)N[C@H]1CC2(CN(Cc3cc(-c4nn[n-]n4)ccc3F)C2)n2ccnc21 ZINC001573495811 946314075 /nfs/dbraw/zinc/31/40/75/946314075.db2.gz TYIPXOYIFWJZAC-HNNXBMFYSA-N -1 3 382.403 0.994 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2Cc3ccccc3C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571302806 946315855 /nfs/dbraw/zinc/31/58/55/946315855.db2.gz CZWFMCIHTVRXIF-MRXNPFEDSA-N -1 3 391.435 0.941 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2Cc3ccccc3C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571302806 946315864 /nfs/dbraw/zinc/31/58/64/946315864.db2.gz CZWFMCIHTVRXIF-MRXNPFEDSA-N -1 3 391.435 0.941 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1Cc2ccccc2C1 ZINC001571303018 946323290 /nfs/dbraw/zinc/32/32/90/946323290.db2.gz HJACTXQKPPKFKO-INIZCTEOSA-N -1 3 391.435 0.941 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1Cc2ccccc2C1 ZINC001571303018 946323302 /nfs/dbraw/zinc/32/33/02/946323302.db2.gz HJACTXQKPPKFKO-INIZCTEOSA-N -1 3 391.435 0.941 20 0 GCADHM CC(=O)NC1CCC(C(=O)NC[C@@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573496373 946325062 /nfs/dbraw/zinc/32/50/62/946325062.db2.gz YZVWGZCSJXQTHV-LMWSTFAQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC1CCC(C(=O)NC[C@@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573496373 946325071 /nfs/dbraw/zinc/32/50/71/946325071.db2.gz YZVWGZCSJXQTHV-LMWSTFAQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NCC(=O)N(C)C1CCC(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573496780 946330595 /nfs/dbraw/zinc/33/05/95/946330595.db2.gz CSOGKBQBWPKOJK-UHFFFAOYSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N(C)C1CCC(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573496780 946330604 /nfs/dbraw/zinc/33/06/04/946330604.db2.gz CSOGKBQBWPKOJK-UHFFFAOYSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@@H](CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573496859 946334962 /nfs/dbraw/zinc/33/49/62/946334962.db2.gz FBHCDWLXLNAPJD-NSHDSACASA-N -1 3 378.462 0.417 20 0 GCADHM O=C(NCCS(=O)(=O)NCc1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823219529 946349156 /nfs/dbraw/zinc/34/91/56/946349156.db2.gz KORWAULHSNZRCT-UHFFFAOYSA-N -1 3 375.414 0.044 20 0 GCADHM O=C(NCCS(=O)(=O)NCc1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823219529 946349165 /nfs/dbraw/zinc/34/91/65/946349165.db2.gz KORWAULHSNZRCT-UHFFFAOYSA-N -1 3 375.414 0.044 20 0 GCADHM C[C@@H]1[C@H](NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2Cl)CCS1(=O)=O ZINC001571305543 946365764 /nfs/dbraw/zinc/36/57/64/946365764.db2.gz DWAKODJWYYANLG-GMSGAONNSA-N -1 3 391.862 0.374 20 0 GCADHM C[C@@H]1[C@H](NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CCS1(=O)=O ZINC001571305543 946365776 /nfs/dbraw/zinc/36/57/76/946365776.db2.gz DWAKODJWYYANLG-GMSGAONNSA-N -1 3 391.862 0.374 20 0 GCADHM O=C(Cc1cc[nH]n1)N1C[C@@H]2C[C@H]1CN2c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001571305570 946368358 /nfs/dbraw/zinc/36/83/58/946368358.db2.gz FPETUBDREGFODJ-IUCAKERBSA-N -1 3 391.848 0.732 20 0 GCADHM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCS1(=O)=O ZINC001571305750 946372143 /nfs/dbraw/zinc/37/21/43/946372143.db2.gz BQZDUWLWOIESGR-RAIGVLPGSA-N -1 3 391.457 0.146 20 0 GCADHM O=C(N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCS1(=O)=O ZINC001571305750 946372153 /nfs/dbraw/zinc/37/21/53/946372153.db2.gz BQZDUWLWOIESGR-RAIGVLPGSA-N -1 3 391.457 0.146 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571305797 946376693 /nfs/dbraw/zinc/37/66/93/946376693.db2.gz CYVGHNFSHFESTF-GWOFURMSSA-N -1 3 391.457 0.747 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@](C)(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573503551 946392862 /nfs/dbraw/zinc/39/28/62/946392862.db2.gz AEMRIGAZGCNUJX-INIZCTEOSA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@](C)(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573503551 946392869 /nfs/dbraw/zinc/39/28/69/946392869.db2.gz AEMRIGAZGCNUJX-INIZCTEOSA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]([C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573503739 946398386 /nfs/dbraw/zinc/39/83/86/946398386.db2.gz BORKKDXFOLDUTB-CABZTGNLSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573503740 946399776 /nfs/dbraw/zinc/39/97/76/946399776.db2.gz BORKKDXFOLDUTB-JOYOIKCWSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573504000 946403544 /nfs/dbraw/zinc/40/35/44/946403544.db2.gz DNSRNXOAEVYVPF-HNNXBMFYSA-N -1 3 378.462 0.418 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573503995 946404495 /nfs/dbraw/zinc/40/44/95/946404495.db2.gz DCSJACXJIIUAAV-DOMZBBRYSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573503995 946404502 /nfs/dbraw/zinc/40/45/02/946404502.db2.gz DCSJACXJIIUAAV-DOMZBBRYSA-N -1 3 386.460 0.888 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571306562 946405026 /nfs/dbraw/zinc/40/50/26/946405026.db2.gz XJRMYQPNGKOIJT-XWLWVQCSSA-N -1 3 391.819 0.783 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571306562 946405031 /nfs/dbraw/zinc/40/50/31/946405031.db2.gz XJRMYQPNGKOIJT-XWLWVQCSSA-N -1 3 391.819 0.783 20 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/nfs/dbraw/zinc/40/92/50/946409250.db2.gz OWAVFNIQHCKXAF-LBPRGKRZSA-N -1 3 391.457 0.099 20 0 GCADHM Cc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)ccc1-c1nnn[n-]1 ZINC001571306735 946409985 /nfs/dbraw/zinc/40/99/85/946409985.db2.gz OCIMSDMAKYGMQT-GVXVVHGQSA-N -1 3 391.457 0.206 20 0 GCADHM Cc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)ccc1-c1nn[n-]n1 ZINC001571306735 946409991 /nfs/dbraw/zinc/40/99/91/946409991.db2.gz OCIMSDMAKYGMQT-GVXVVHGQSA-N -1 3 391.457 0.206 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@H]2C1 ZINC001573504659 946412498 /nfs/dbraw/zinc/41/24/98/946412498.db2.gz IFTVNBSIWRDYHB-SOUVJXGZSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@H]2C1 ZINC001573504659 946412501 /nfs/dbraw/zinc/41/25/01/946412501.db2.gz IFTVNBSIWRDYHB-SOUVJXGZSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@H]2C1 ZINC001573504654 946413331 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MFBBBNLPOQDKKY-KRWDZBQOSA-N -1 3 375.408 0.792 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573505611 946421202 /nfs/dbraw/zinc/42/12/02/946421202.db2.gz LWZAXQOCFHTUKB-LBPRGKRZSA-N -1 3 392.489 0.443 20 0 GCADHM O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1cncc(-c2nnn[n-]2)c1 ZINC001571307228 946421138 /nfs/dbraw/zinc/42/11/38/946421138.db2.gz ACMOCTHQJVWUNJ-WDEREUQCSA-N -1 3 392.363 0.791 20 0 GCADHM O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1cncc(-c2nn[n-]n2)c1 ZINC001571307228 946421141 /nfs/dbraw/zinc/42/11/41/946421141.db2.gz ACMOCTHQJVWUNJ-WDEREUQCSA-N -1 3 392.363 0.791 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573505610 946421449 /nfs/dbraw/zinc/42/14/49/946421449.db2.gz LWZAXQOCFHTUKB-GFCCVEGCSA-N -1 3 392.489 0.443 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573505638 946424644 /nfs/dbraw/zinc/42/46/44/946424644.db2.gz MEJUIUIKHZAYEP-CQSZACIVSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573505638 946424646 /nfs/dbraw/zinc/42/46/46/946424646.db2.gz MEJUIUIKHZAYEP-CQSZACIVSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573505623 946424747 /nfs/dbraw/zinc/42/47/47/946424747.db2.gz MCJRORQPPLPCSB-LLVKDONJSA-N -1 3 378.462 0.418 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CCN2c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573506764 946437307 /nfs/dbraw/zinc/43/73/07/946437307.db2.gz TVUSXQXNOREDJD-RYUDHWBXSA-N -1 3 390.473 0.195 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1O)C1(F)CCCC1 ZINC001571308893 946437626 /nfs/dbraw/zinc/43/76/26/946437626.db2.gz UNXAQNQFMSXYHT-HUUCEWRRSA-N -1 3 392.410 0.949 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1O)C1(F)CCCC1 ZINC001571308893 946437635 /nfs/dbraw/zinc/43/76/35/946437635.db2.gz UNXAQNQFMSXYHT-HUUCEWRRSA-N -1 3 392.410 0.949 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)[C@H]1CCC(=O)NC1 ZINC000823526123 946443631 /nfs/dbraw/zinc/44/36/31/946443631.db2.gz ZJYCDNOJZQXWRR-NSHDSACASA-N -1 3 385.428 0.293 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)[C@H]1CCC(=O)NC1 ZINC000823526123 946443636 /nfs/dbraw/zinc/44/36/36/946443636.db2.gz ZJYCDNOJZQXWRR-NSHDSACASA-N -1 3 385.428 0.293 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2snc(C)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573507449 946445985 /nfs/dbraw/zinc/44/59/85/946445985.db2.gz YAQJBEXGZZFGBF-BXKDBHETSA-N -1 3 392.489 0.664 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC2(O)CCC2)CC1 ZINC000823601278 946452975 /nfs/dbraw/zinc/45/29/75/946452975.db2.gz YUZWBSGMOHWQAG-UHFFFAOYSA-N -1 3 378.458 0.088 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC2(O)CCC2)CC1 ZINC000823601278 946452985 /nfs/dbraw/zinc/45/29/85/946452985.db2.gz YUZWBSGMOHWQAG-UHFFFAOYSA-N -1 3 378.458 0.088 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573508058 946453101 /nfs/dbraw/zinc/45/31/01/946453101.db2.gz XXIAEJQWNPTATF-DZGCQCFKSA-N 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Cc1cccnc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571309792 946454025 /nfs/dbraw/zinc/45/40/25/946454025.db2.gz KYNONBRZHJTHEF-XYYAHUGASA-N -1 3 392.423 0.646 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@H]2Cc3cccnc3C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571309863 946454932 /nfs/dbraw/zinc/45/49/32/946454932.db2.gz NFCMAVBUXYZPEK-JSGCOSHPSA-N -1 3 392.423 0.336 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@H]2Cc3cccnc3C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571309863 946454938 /nfs/dbraw/zinc/45/49/38/946454938.db2.gz NFCMAVBUXYZPEK-JSGCOSHPSA-N -1 3 392.423 0.336 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573508916 946454909 /nfs/dbraw/zinc/45/49/09/946454909.db2.gz AWRMRHHDLKTNCR-GFCCVEGCSA-N -1 3 376.396 0.330 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573508916 946454919 /nfs/dbraw/zinc/45/49/19/946454919.db2.gz AWRMRHHDLKTNCR-GFCCVEGCSA-N -1 3 376.396 0.330 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573508913 946455809 /nfs/dbraw/zinc/45/58/09/946455809.db2.gz ASSJSSDBKVXZBK-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573508913 946455819 /nfs/dbraw/zinc/45/58/19/946455819.db2.gz ASSJSSDBKVXZBK-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573509235 946459444 /nfs/dbraw/zinc/45/94/44/946459444.db2.gz IOMGTOQLNJHAFL-GFCCVEGCSA-N -1 3 392.489 0.951 20 0 GCADHM C[C@@]12CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC001571310070 946461092 /nfs/dbraw/zinc/46/10/92/946461092.db2.gz UHRFEYRNRXMVPD-IFXJQAMLSA-N -1 3 392.423 0.824 20 0 GCADHM C[C@@]12CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC001571310070 946461099 /nfs/dbraw/zinc/46/10/99/946461099.db2.gz UHRFEYRNRXMVPD-IFXJQAMLSA-N -1 3 392.423 0.824 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573510061 946468756 /nfs/dbraw/zinc/46/87/56/946468756.db2.gz XOVGGFPLRGSBDS-CYBMUJFWSA-N -1 3 390.423 0.720 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573510061 946468766 /nfs/dbraw/zinc/46/87/66/946468766.db2.gz XOVGGFPLRGSBDS-CYBMUJFWSA-N -1 3 390.423 0.720 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573510097 946472078 /nfs/dbraw/zinc/47/20/78/946472078.db2.gz YWHRTZLXIXAXFA-CYBMUJFWSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573510097 946472083 /nfs/dbraw/zinc/47/20/83/946472083.db2.gz YWHRTZLXIXAXFA-CYBMUJFWSA-N -1 3 390.423 0.354 20 0 GCADHM Cc1nsc(N2CCC[C@H](NC(=O)[C@@H]3COC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571310521 946472879 /nfs/dbraw/zinc/47/28/79/946472879.db2.gz IOVDVGWELGZRDX-UWVGGRQHSA-N -1 3 392.445 0.215 20 0 GCADHM Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571310569 946475177 /nfs/dbraw/zinc/47/51/77/946475177.db2.gz JCHJMJYVKNHSQR-RFAUZJTJSA-N -1 3 392.445 0.391 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)C1CS(=O)(=O)C1 ZINC001571310793 946479125 /nfs/dbraw/zinc/47/91/25/946479125.db2.gz NEDWODGLOUQKGH-UHFFFAOYSA-N -1 3 392.441 0.113 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)C1CS(=O)(=O)C1 ZINC001571310793 946479134 /nfs/dbraw/zinc/47/91/34/946479134.db2.gz NEDWODGLOUQKGH-UHFFFAOYSA-N -1 3 392.441 0.113 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CCCC1 ZINC001573510498 946480122 /nfs/dbraw/zinc/48/01/22/946480122.db2.gz ISDGTHBEPWRABX-OAHLLOKOSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CCCC1 ZINC001573510498 946480125 /nfs/dbraw/zinc/48/01/25/946480125.db2.gz ISDGTHBEPWRABX-OAHLLOKOSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)C[C@H]21 ZINC001573511441 946485522 /nfs/dbraw/zinc/48/55/22/946485522.db2.gz QFUSDBABVFQPFG-CZUORRHYSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573511520 946487572 /nfs/dbraw/zinc/48/75/72/946487572.db2.gz BAXHLAVPXXZMGJ-GXFFZTMASA-N -1 3 392.851 0.748 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573511520 946487577 /nfs/dbraw/zinc/48/75/77/946487577.db2.gz BAXHLAVPXXZMGJ-GXFFZTMASA-N -1 3 392.851 0.748 20 0 GCADHM Cc1nsc(NCC[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571311502 946488882 /nfs/dbraw/zinc/48/88/82/946488882.db2.gz ZJBHTLGQYHQJTL-NXEZZACHSA-N -1 3 392.445 0.391 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571312361 946489619 /nfs/dbraw/zinc/48/96/19/946489619.db2.gz AOQWVHLDCXGBTI-SOUVJXGZSA-N -1 3 392.423 0.724 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1C[C@H]1c1cccnc1 ZINC001571312361 946489625 /nfs/dbraw/zinc/48/96/25/946489625.db2.gz AOQWVHLDCXGBTI-SOUVJXGZSA-N -1 3 392.423 0.724 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573511621 946490015 /nfs/dbraw/zinc/49/00/15/946490015.db2.gz BYCNBZVAZIJEMQ-AAEUAGOBSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573511621 946490020 /nfs/dbraw/zinc/49/00/20/946490020.db2.gz BYCNBZVAZIJEMQ-AAEUAGOBSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573512160 946496168 /nfs/dbraw/zinc/49/61/68/946496168.db2.gz VBOINMGHNSUDSJ-JTQLQIEISA-N -1 3 375.408 0.078 20 0 GCADHM O=C(NC[C@H]1CNC(=O)C1)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001571312576 946496439 /nfs/dbraw/zinc/49/64/39/946496439.db2.gz HYHKUKSPTPUHAT-CYBMUJFWSA-N -1 3 392.423 0.740 20 0 GCADHM O=C(NC[C@H]1CNC(=O)C1)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001571312576 946496449 /nfs/dbraw/zinc/49/64/49/946496449.db2.gz HYHKUKSPTPUHAT-CYBMUJFWSA-N -1 3 392.423 0.740 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1N(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC001573512459 946497614 /nfs/dbraw/zinc/49/76/14/946497614.db2.gz GFVLXCUNBGAKEQ-KDOFPFPSSA-N -1 3 387.419 0.760 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1N(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC001573512459 946497624 /nfs/dbraw/zinc/49/76/24/946497624.db2.gz GFVLXCUNBGAKEQ-KDOFPFPSSA-N -1 3 387.419 0.760 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2ncc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC001573512350 946498100 /nfs/dbraw/zinc/49/81/00/946498100.db2.gz FBTQQHZXZVHOOC-UHFFFAOYSA-N -1 3 390.423 0.768 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2ncc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC001573512350 946498113 /nfs/dbraw/zinc/49/81/13/946498113.db2.gz FBTQQHZXZVHOOC-UHFFFAOYSA-N -1 3 390.423 0.768 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C12CCC2 ZINC001573512363 946498948 /nfs/dbraw/zinc/49/89/48/946498948.db2.gz FHJAANGDNUCJRY-MNOVXSKESA-N -1 3 390.473 0.607 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512797 946505951 /nfs/dbraw/zinc/50/59/51/946505951.db2.gz HWQKOXMQWRNADU-NWDGAFQWSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512797 946505959 /nfs/dbraw/zinc/50/59/59/946505959.db2.gz HWQKOXMQWRNADU-NWDGAFQWSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573513182 946507295 /nfs/dbraw/zinc/50/72/95/946507295.db2.gz LMWUEJOULJYREP-DZGCQCFKSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573513182 946507304 /nfs/dbraw/zinc/50/73/04/946507304.db2.gz LMWUEJOULJYREP-DZGCQCFKSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573513202 946508061 /nfs/dbraw/zinc/50/80/61/946508061.db2.gz LQCYTZGYVWSSFG-KWQFWETISA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)NCC(=O)NC1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573513227 946510390 /nfs/dbraw/zinc/51/03/90/946510390.db2.gz LUQVGBGKAVGWEL-UHFFFAOYSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)NCC(=O)NC1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573513227 946510400 /nfs/dbraw/zinc/51/04/00/946510400.db2.gz LUQVGBGKAVGWEL-UHFFFAOYSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1N(c1ncc(-c3nnn[n-]3)cc1F)CC2 ZINC001573513274 946510856 /nfs/dbraw/zinc/51/08/56/946510856.db2.gz MCWGAXNOMCPAIW-DYVFJYSZSA-N -1 3 388.407 0.155 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1N(c1ncc(-c3nn[n-]n3)cc1F)CC2 ZINC001573513274 946510862 /nfs/dbraw/zinc/51/08/62/946510862.db2.gz MCWGAXNOMCPAIW-DYVFJYSZSA-N -1 3 388.407 0.155 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C12CCC2 ZINC001573513791 946516528 /nfs/dbraw/zinc/51/65/28/946516528.db2.gz QGSFXZAQEIPYAL-STQMWFEESA-N -1 3 388.407 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C12CCC2 ZINC001573513791 946516538 /nfs/dbraw/zinc/51/65/38/946516538.db2.gz QGSFXZAQEIPYAL-STQMWFEESA-N -1 3 388.407 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC[C@H]1C ZINC001573514171 946521053 /nfs/dbraw/zinc/52/10/53/946521053.db2.gz UEEYLQUECOHARB-KZULUSFZSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@@]1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC[C@H]1C ZINC001573514171 946521065 /nfs/dbraw/zinc/52/10/65/946521065.db2.gz UEEYLQUECOHARB-KZULUSFZSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)NC1CCC(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573514261 946523492 /nfs/dbraw/zinc/52/34/92/946523492.db2.gz WAHIRMYQVIIKLY-UHFFFAOYSA-N -1 3 378.462 0.607 20 0 GCADHM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1snc(C)c1-c1nnn[n-]1 ZINC001573514312 946526119 /nfs/dbraw/zinc/52/61/19/946526119.db2.gz XBFYQHNFKQLABW-YOGCLGLASA-N -1 3 390.473 0.384 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC12CCN(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC001573514521 946527412 /nfs/dbraw/zinc/52/74/12/946527412.db2.gz ZHFOTCKCZDNZAV-AWEZNQCLSA-N -1 3 387.419 0.617 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC12CCN(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC001573514521 946527418 /nfs/dbraw/zinc/52/74/18/946527418.db2.gz ZHFOTCKCZDNZAV-AWEZNQCLSA-N -1 3 387.419 0.617 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573514583 946530751 /nfs/dbraw/zinc/53/07/51/946530751.db2.gz APUCETNXZCXZGA-ZDUSSCGKSA-N -1 3 375.408 0.473 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001573514583 946530756 /nfs/dbraw/zinc/53/07/56/946530756.db2.gz APUCETNXZCXZGA-ZDUSSCGKSA-N -1 3 375.408 0.473 20 0 GCADHM O=C(c1cc[nH]n1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571313868 946534873 /nfs/dbraw/zinc/53/48/73/946534873.db2.gz WSALSUXEUXHQCC-YFCNSXCBSA-N -1 3 392.427 0.367 20 0 GCADHM CC(=O)N[C@@H]1CCCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000823989432 946534889 /nfs/dbraw/zinc/53/48/89/946534889.db2.gz XYXWDERRMMKZLO-NVXWUHKLSA-N -1 3 383.456 0.963 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1C ZINC001573514801 946535546 /nfs/dbraw/zinc/53/55/46/946535546.db2.gz DLBDWTXZHLCRDN-NOZJJQNGSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H]1C ZINC001573514801 946535556 /nfs/dbraw/zinc/53/55/56/946535556.db2.gz DLBDWTXZHLCRDN-NOZJJQNGSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001573515470 946544982 /nfs/dbraw/zinc/54/49/82/946544982.db2.gz MVGOWFVRKDPFCZ-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001573515470 946544987 /nfs/dbraw/zinc/54/49/87/946544987.db2.gz MVGOWFVRKDPFCZ-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000824014291 946547333 /nfs/dbraw/zinc/54/73/33/946547333.db2.gz HRAQVKGPGSBWSN-AWEZNQCLSA-N -1 3 390.469 0.378 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 ZINC000824014291 946547344 /nfs/dbraw/zinc/54/73/44/946547344.db2.gz HRAQVKGPGSBWSN-AWEZNQCLSA-N -1 3 390.469 0.378 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573515664 946548405 /nfs/dbraw/zinc/54/84/05/946548405.db2.gz OVQHTWHIXXCFNX-KCJUWKMLSA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)NCC(=O)NCC1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573517529 946577930 /nfs/dbraw/zinc/57/79/30/946577930.db2.gz MLPVAHUSZFYVHA-UHFFFAOYSA-N -1 3 390.423 0.260 20 0 GCADHM CC(=O)NCC(=O)NCC1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573517529 946577936 /nfs/dbraw/zinc/57/79/36/946577936.db2.gz MLPVAHUSZFYVHA-UHFFFAOYSA-N -1 3 390.423 0.260 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573517849 946582512 /nfs/dbraw/zinc/58/25/12/946582512.db2.gz SQDNHGCMURDRLC-NSHDSACASA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573517849 946582525 /nfs/dbraw/zinc/58/25/25/946582525.db2.gz SQDNHGCMURDRLC-NSHDSACASA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573518319 946587967 /nfs/dbraw/zinc/58/79/67/946587967.db2.gz YTFVUTPDNNOZQK-NSHDSACASA-N -1 3 392.851 0.384 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573518319 946587974 /nfs/dbraw/zinc/58/79/74/946587974.db2.gz YTFVUTPDNNOZQK-NSHDSACASA-N -1 3 392.851 0.384 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573520965 946604502 /nfs/dbraw/zinc/60/45/02/946604502.db2.gz QJJFJMSFQBAGPH-JGZJWPJOSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573520965 946604508 /nfs/dbraw/zinc/60/45/08/946604508.db2.gz QJJFJMSFQBAGPH-JGZJWPJOSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)NCCC1(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573521453 946606039 /nfs/dbraw/zinc/60/60/39/946606039.db2.gz WPFNDPUGCVUODR-UHFFFAOYSA-N -1 3 375.408 0.840 20 0 GCADHM CC(=O)NCC(=O)NCCC1(CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573521453 946606045 /nfs/dbraw/zinc/60/60/45/946606045.db2.gz WPFNDPUGCVUODR-UHFFFAOYSA-N -1 3 375.408 0.840 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573521254 946606869 /nfs/dbraw/zinc/60/68/69/946606869.db2.gz VFLIEADFBAQNEW-DGCLKSJQSA-N -1 3 389.435 0.721 20 0 GCADHM CC(=O)NCC(=O)NCC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573521254 946606876 /nfs/dbraw/zinc/60/68/76/946606876.db2.gz VFLIEADFBAQNEW-DGCLKSJQSA-N -1 3 389.435 0.721 20 0 GCADHM CC(=O)NCC(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573521558 946608729 /nfs/dbraw/zinc/60/87/29/946608729.db2.gz ZCHWLOYCPMULLQ-UHFFFAOYSA-N -1 3 380.412 0.626 20 0 GCADHM CC(=O)NCC(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573521558 946608733 /nfs/dbraw/zinc/60/87/33/946608733.db2.gz ZCHWLOYCPMULLQ-UHFFFAOYSA-N -1 3 380.412 0.626 20 0 GCADHM Cc1nsc(NC[C@H]2CCN(C(=O)CN3CCOCC3)C2)c1-c1nnn[n-]1 ZINC001571317660 946616383 /nfs/dbraw/zinc/61/63/83/946616383.db2.gz QBGJAWKUZXOHPB-GFCCVEGCSA-N -1 3 392.489 0.224 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cc(C)c1CS(=O)(=O)N1CCC(CC(N)=O)CC1 ZINC001571317676 946616925 /nfs/dbraw/zinc/61/69/25/946616925.db2.gz QOBRGDFTWDJNQC-UHFFFAOYSA-N -1 3 392.485 0.901 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1CS(=O)(=O)N1CCC(CC(N)=O)CC1 ZINC001571317676 946616929 /nfs/dbraw/zinc/61/69/29/946616929.db2.gz QOBRGDFTWDJNQC-UHFFFAOYSA-N -1 3 392.485 0.901 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1C ZINC001573521989 946617369 /nfs/dbraw/zinc/61/73/69/946617369.db2.gz SBQPUAAVLRPTSI-PELKAZGASA-N -1 3 378.824 0.135 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H]1C ZINC001573521989 946617377 /nfs/dbraw/zinc/61/73/77/946617377.db2.gz SBQPUAAVLRPTSI-PELKAZGASA-N -1 3 378.824 0.135 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ncc(Cl)s1 ZINC001571317705 946618773 /nfs/dbraw/zinc/61/87/73/946618773.db2.gz RNZQOSQSCAJSMT-QMMMGPOBSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ncc(Cl)s1 ZINC001571317705 946618781 /nfs/dbraw/zinc/61/87/81/946618781.db2.gz RNZQOSQSCAJSMT-QMMMGPOBSA-N -1 3 392.832 0.949 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573522213 946621955 /nfs/dbraw/zinc/62/19/55/946621955.db2.gz CFPVCMNJCQVLMB-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573522213 946621963 /nfs/dbraw/zinc/62/19/63/946621963.db2.gz CFPVCMNJCQVLMB-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573522155 946622564 /nfs/dbraw/zinc/62/25/64/946622564.db2.gz BKUBKJRWLREORM-OAHLLOKOSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573522155 946622571 /nfs/dbraw/zinc/62/25/71/946622571.db2.gz BKUBKJRWLREORM-OAHLLOKOSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573522115 946622740 /nfs/dbraw/zinc/62/27/40/946622740.db2.gz AVATUHRVLWUYNL-WXHSDQCUSA-N -1 3 390.835 0.277 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573522115 946622743 /nfs/dbraw/zinc/62/27/43/946622743.db2.gz AVATUHRVLWUYNL-WXHSDQCUSA-N -1 3 390.835 0.277 20 0 GCADHM CO[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1NC(=O)CN1CCCC1 ZINC001571317937 946624001 /nfs/dbraw/zinc/62/40/01/946624001.db2.gz ZHIIVKHPVXEFFR-VXGBXAGGSA-N -1 3 392.489 0.047 20 0 GCADHM Cc1nsc(NC2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)c1-c1nnn[n-]1 ZINC001571317906 946624036 /nfs/dbraw/zinc/62/40/36/946624036.db2.gz XWZRKKBJIIUDSA-GFCCVEGCSA-N -1 3 392.489 0.365 20 0 GCADHM Cc1nsc(NC2CCN(C(=O)[C@H]3CN(C)CCO3)CC2)c1-c1nn[n-]n1 ZINC001571317906 946624043 /nfs/dbraw/zinc/62/40/43/946624043.db2.gz XWZRKKBJIIUDSA-GFCCVEGCSA-N -1 3 392.489 0.365 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573522431 946625096 /nfs/dbraw/zinc/62/50/96/946625096.db2.gz FRCOIWDDANCMND-LBPRGKRZSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573522431 946625102 /nfs/dbraw/zinc/62/51/02/946625102.db2.gz FRCOIWDDANCMND-LBPRGKRZSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573522611 946627663 /nfs/dbraw/zinc/62/76/63/946627663.db2.gz HGXLINQITNSMLS-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573522611 946627671 /nfs/dbraw/zinc/62/76/71/946627671.db2.gz HGXLINQITNSMLS-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573522696 946628161 /nfs/dbraw/zinc/62/81/61/946628161.db2.gz ILTOMOWQBWOHDZ-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573522696 946628168 /nfs/dbraw/zinc/62/81/68/946628168.db2.gz ILTOMOWQBWOHDZ-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573523087 946631701 /nfs/dbraw/zinc/63/17/01/946631701.db2.gz NXAVWXIAQTZQBB-NXEZZACHSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573523087 946631707 /nfs/dbraw/zinc/63/17/07/946631707.db2.gz NXAVWXIAQTZQBB-NXEZZACHSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573523227 946634132 /nfs/dbraw/zinc/63/41/32/946634132.db2.gz PWMQFHJDKSVNIG-CYBMUJFWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573523227 946634135 /nfs/dbraw/zinc/63/41/35/946634135.db2.gz PWMQFHJDKSVNIG-CYBMUJFWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573523145 946634961 /nfs/dbraw/zinc/63/49/61/946634961.db2.gz OXBPQLOESQQODD-BXUZGUMPSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573523145 946634967 /nfs/dbraw/zinc/63/49/67/946634967.db2.gz OXBPQLOESQQODD-BXUZGUMPSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573523697 946638308 /nfs/dbraw/zinc/63/83/08/946638308.db2.gz VULOSSOJKDATBP-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573523697 946638313 /nfs/dbraw/zinc/63/83/13/946638313.db2.gz VULOSSOJKDATBP-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573523711 946639545 /nfs/dbraw/zinc/63/95/45/946639545.db2.gz WCJNNZDIXPFSIC-GFCCVEGCSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573523711 946639550 /nfs/dbraw/zinc/63/95/50/946639550.db2.gz WCJNNZDIXPFSIC-GFCCVEGCSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573523981 946640558 /nfs/dbraw/zinc/64/05/58/946640558.db2.gz YYZGEKMSOOHGJW-GFCCVEGCSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573523981 946640563 /nfs/dbraw/zinc/64/05/63/946640563.db2.gz YYZGEKMSOOHGJW-GFCCVEGCSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573524105 946641573 /nfs/dbraw/zinc/64/15/73/946641573.db2.gz ZRPCSRQJPGHIRQ-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573524105 946641591 /nfs/dbraw/zinc/64/15/91/946641591.db2.gz ZRPCSRQJPGHIRQ-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573527585 946645276 /nfs/dbraw/zinc/64/52/76/946645276.db2.gz DLWUYHURCBTVKZ-XYPYZODXSA-N -1 3 392.489 0.853 20 0 GCADHM CC(C)N1CCO[C@@H](C(N)=NOCCOc2ccccc2-c2nnn[n-]2)C1 ZINC000824300772 946648632 /nfs/dbraw/zinc/64/86/32/946648632.db2.gz KNWNGJZWBZBHMX-OAHLLOKOSA-N -1 3 375.433 0.853 20 0 GCADHM CC(C)N1CCO[C@@H](C(N)=NOCCOc2ccccc2-c2nn[n-]n2)C1 ZINC000824300772 946648643 /nfs/dbraw/zinc/64/86/43/946648643.db2.gz KNWNGJZWBZBHMX-OAHLLOKOSA-N -1 3 375.433 0.853 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573527938 946651235 /nfs/dbraw/zinc/65/12/35/946651235.db2.gz MDQURAQUMMHJDY-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573527938 946651239 /nfs/dbraw/zinc/65/12/39/946651239.db2.gz MDQURAQUMMHJDY-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC/C=C\CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573528016 946653161 /nfs/dbraw/zinc/65/31/61/946653161.db2.gz PHEUJUFGCHNFIQ-WAYWQWQTSA-N -1 3 386.460 0.817 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC/C=C\CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573528016 946653169 /nfs/dbraw/zinc/65/31/69/946653169.db2.gz PHEUJUFGCHNFIQ-WAYWQWQTSA-N -1 3 386.460 0.817 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573528227 946659042 /nfs/dbraw/zinc/65/90/42/946659042.db2.gz ZGIMXQQXHSZAHZ-JTQLQIEISA-N -1 3 392.439 0.727 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573528227 946659050 /nfs/dbraw/zinc/65/90/50/946659050.db2.gz ZGIMXQQXHSZAHZ-JTQLQIEISA-N -1 3 392.439 0.727 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573528224 946659699 /nfs/dbraw/zinc/65/96/99/946659699.db2.gz ZAKBJIXOQGUBFM-UHFFFAOYSA-N -1 3 390.423 0.624 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573528224 946659708 /nfs/dbraw/zinc/65/97/08/946659708.db2.gz ZAKBJIXOQGUBFM-UHFFFAOYSA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NC(=O)CNc1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000824364751 946669918 /nfs/dbraw/zinc/66/99/18/946669918.db2.gz SXOWACNGSQKLDQ-GFCCVEGCSA-N -1 3 382.432 0.520 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NC(=O)CNc1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000824364751 946669924 /nfs/dbraw/zinc/66/99/24/946669924.db2.gz SXOWACNGSQKLDQ-GFCCVEGCSA-N -1 3 382.432 0.520 20 0 GCADHM CC(=O)NCCNC(=O)CCC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001573529926 946680335 /nfs/dbraw/zinc/68/03/35/946680335.db2.gz PJIABHTWVFIRCF-UHFFFAOYSA-N -1 3 377.380 0.285 20 0 GCADHM CC(=O)NCCNC(=O)CCC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001573529926 946680340 /nfs/dbraw/zinc/68/03/40/946680340.db2.gz PJIABHTWVFIRCF-UHFFFAOYSA-N -1 3 377.380 0.285 20 0 GCADHM CC(=O)NCc1ccc(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573533314 946710871 /nfs/dbraw/zinc/71/08/71/946710871.db2.gz NRSYPSZLWRELEP-UHFFFAOYSA-N -1 3 380.412 0.626 20 0 GCADHM CC(=O)NCc1ccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573533314 946710892 /nfs/dbraw/zinc/71/08/92/946710892.db2.gz NRSYPSZLWRELEP-UHFFFAOYSA-N -1 3 380.412 0.626 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1)C(C)C ZINC001573535945 946727509 /nfs/dbraw/zinc/72/75/09/946727509.db2.gz LOXFZYXVOFXVJH-OAHLLOKOSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1)C(C)C ZINC001573535945 946727514 /nfs/dbraw/zinc/72/75/14/946727514.db2.gz LOXFZYXVOFXVJH-OAHLLOKOSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573536386 946734485 /nfs/dbraw/zinc/73/44/85/946734485.db2.gz VMCSHLYLEUGYFM-CZUORRHYSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573536386 946734489 /nfs/dbraw/zinc/73/44/89/946734489.db2.gz VMCSHLYLEUGYFM-CZUORRHYSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)C(C)C ZINC001573536592 946737261 /nfs/dbraw/zinc/73/72/61/946737261.db2.gz YHEGCOZUKPCPQP-MLGOLLRUSA-N -1 3 389.435 0.861 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)C(C)C ZINC001573536592 946737266 /nfs/dbraw/zinc/73/72/66/946737266.db2.gz YHEGCOZUKPCPQP-MLGOLLRUSA-N -1 3 389.435 0.861 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)C(C)C ZINC001573536569 946737425 /nfs/dbraw/zinc/73/74/25/946737425.db2.gz XVJJENMUGKFYJS-MBNYWOFBSA-N -1 3 390.423 0.621 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)C(C)C ZINC001573536569 946737433 /nfs/dbraw/zinc/73/74/33/946737433.db2.gz XVJJENMUGKFYJS-MBNYWOFBSA-N -1 3 390.423 0.621 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CC(CNc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537071 946742292 /nfs/dbraw/zinc/74/22/92/946742292.db2.gz GGUFMGHEUZRLKW-SSDMNJCBSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CC(CNc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537071 946742298 /nfs/dbraw/zinc/74/22/98/946742298.db2.gz GGUFMGHEUZRLKW-SSDMNJCBSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537335 946745311 /nfs/dbraw/zinc/74/53/11/946745311.db2.gz KIDQUTSBKOHPTM-DZGCQCFKSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](N(C)c2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537335 946745319 /nfs/dbraw/zinc/74/53/19/946745319.db2.gz KIDQUTSBKOHPTM-DZGCQCFKSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573537135 946745354 /nfs/dbraw/zinc/74/53/54/946745354.db2.gz ITQQETUKUCRBJX-IINYFYTJSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573537135 946745367 /nfs/dbraw/zinc/74/53/67/946745367.db2.gz ITQQETUKUCRBJX-IINYFYTJSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537124 946745443 /nfs/dbraw/zinc/74/54/43/946745443.db2.gz IDTQFXIUOGCWMN-UKRRQHHQSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537124 946745451 /nfs/dbraw/zinc/74/54/51/946745451.db2.gz IDTQFXIUOGCWMN-UKRRQHHQSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1)C(C)C ZINC001573537327 946745546 /nfs/dbraw/zinc/74/55/46/946745546.db2.gz JYUBQUPQRUAQFX-QGZVFWFLSA-N -1 3 385.472 0.672 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1)C(C)C ZINC001573537327 946745550 /nfs/dbraw/zinc/74/55/50/946745550.db2.gz JYUBQUPQRUAQFX-QGZVFWFLSA-N -1 3 385.472 0.672 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)C(C)C ZINC001573537536 946753274 /nfs/dbraw/zinc/75/32/74/946753274.db2.gz NWRNYJCFIICWAY-OAHLLOKOSA-N -1 3 391.501 0.733 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573538026 946763869 /nfs/dbraw/zinc/76/38/69/946763869.db2.gz TVFZKUYOMHDRJL-MRXNPFEDSA-N -1 3 388.476 0.625 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573538026 946763878 /nfs/dbraw/zinc/76/38/78/946763878.db2.gz TVFZKUYOMHDRJL-MRXNPFEDSA-N -1 3 388.476 0.625 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573538270 946766459 /nfs/dbraw/zinc/76/64/59/946766459.db2.gz RTCWWADYZXJWNT-DOMZBBRYSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573538270 946766467 /nfs/dbraw/zinc/76/64/67/946766467.db2.gz RTCWWADYZXJWNT-DOMZBBRYSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573538468 946767594 /nfs/dbraw/zinc/76/75/94/946767594.db2.gz UHCRRLVISWRZBD-INIZCTEOSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573538468 946767605 /nfs/dbraw/zinc/76/76/05/946767605.db2.gz UHCRRLVISWRZBD-INIZCTEOSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC001573538561 946772162 /nfs/dbraw/zinc/77/21/62/946772162.db2.gz XJTKNRLNVVZOMZ-MRXNPFEDSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC001573538561 946772170 /nfs/dbraw/zinc/77/21/70/946772170.db2.gz XJTKNRLNVVZOMZ-MRXNPFEDSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573540391 946775364 /nfs/dbraw/zinc/77/53/64/946775364.db2.gz CGEFCJYZPVVVTD-IAQYHMDHSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573540391 946775370 /nfs/dbraw/zinc/77/53/70/946775370.db2.gz CGEFCJYZPVVVTD-IAQYHMDHSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCNc1nc(C)ccc1-c1nnn[n-]1)C(C)(C)C ZINC001573540404 946776891 /nfs/dbraw/zinc/77/68/91/946776891.db2.gz CVMFSDHBUDAFEI-CQSZACIVSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCNc1nc(C)ccc1-c1nn[n-]n1)C(C)(C)C ZINC001573540404 946776895 /nfs/dbraw/zinc/77/68/95/946776895.db2.gz CVMFSDHBUDAFEI-CQSZACIVSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573540620 946778767 /nfs/dbraw/zinc/77/87/67/946778767.db2.gz IDUPVORZOFGFNQ-QMTHXVAHSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573540620 946778775 /nfs/dbraw/zinc/77/87/75/946778775.db2.gz IDUPVORZOFGFNQ-QMTHXVAHSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001573540563 946778868 /nfs/dbraw/zinc/77/88/68/946778868.db2.gz GBRUOYAWLHMZEP-IUODEOHRSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001573540563 946778874 /nfs/dbraw/zinc/77/88/74/946778874.db2.gz GBRUOYAWLHMZEP-IUODEOHRSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573540557 946778888 /nfs/dbraw/zinc/77/88/88/946778888.db2.gz FLJQMHWCDGQRFU-UKRRQHHQSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573540557 946778896 /nfs/dbraw/zinc/77/88/96/946778896.db2.gz FLJQMHWCDGQRFU-UKRRQHHQSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC001573540628 946782188 /nfs/dbraw/zinc/78/21/88/946782188.db2.gz ILVMBSIYDLIUJY-OAHLLOKOSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC001573540628 946782191 /nfs/dbraw/zinc/78/21/91/946782191.db2.gz ILVMBSIYDLIUJY-OAHLLOKOSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001573541536 946784843 /nfs/dbraw/zinc/78/48/43/946784843.db2.gz QZWNHPTUJFMWQI-IUODEOHRSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001573541536 946784849 /nfs/dbraw/zinc/78/48/49/946784849.db2.gz QZWNHPTUJFMWQI-IUODEOHRSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)Nc1cc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC001573542200 946793254 /nfs/dbraw/zinc/79/32/54/946793254.db2.gz ATJJCSWASHTNEO-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001573542200 946793263 /nfs/dbraw/zinc/79/32/63/946793263.db2.gz ATJJCSWASHTNEO-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573542269 946794183 /nfs/dbraw/zinc/79/41/83/946794183.db2.gz FDWSXSWVFBGZHK-MEDUHNTESA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573542269 946794189 /nfs/dbraw/zinc/79/41/89/946794189.db2.gz FDWSXSWVFBGZHK-MEDUHNTESA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573542236 946794599 /nfs/dbraw/zinc/79/45/99/946794599.db2.gz CIQZBRJHMVDWLS-QLFBSQMISA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573542236 946794606 /nfs/dbraw/zinc/79/46/06/946794606.db2.gz CIQZBRJHMVDWLS-QLFBSQMISA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC2CN(Cc3ccccc3-c3nnn[n-]3)C2)ccn1 ZINC001573542913 946804424 /nfs/dbraw/zinc/80/44/24/946804424.db2.gz QTDCIQHWWQMJMR-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC2CN(Cc3ccccc3-c3nn[n-]n3)C2)ccn1 ZINC001573542913 946804435 /nfs/dbraw/zinc/80/44/35/946804435.db2.gz QTDCIQHWWQMJMR-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM CC(=O)Nc1nc(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nc2)cs1 ZINC001573548044 946846778 /nfs/dbraw/zinc/84/67/78/946846778.db2.gz BXOAILLRYHPVEZ-UHFFFAOYSA-N -1 3 387.429 0.861 20 0 GCADHM CC(=O)Nc1nc(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nc2)cs1 ZINC001573548044 946846791 /nfs/dbraw/zinc/84/67/91/946846791.db2.gz BXOAILLRYHPVEZ-UHFFFAOYSA-N -1 3 387.429 0.861 20 0 GCADHM CC(=O)Nc1nc(C(=O)N(C)CCNc2ncccc2-c2nnn[n-]2)cs1 ZINC001573548445 946852439 /nfs/dbraw/zinc/85/24/39/946852439.db2.gz KYJSKLFVDPBDJW-UHFFFAOYSA-N -1 3 387.429 0.861 20 0 GCADHM CC(=O)Nc1nc(C(=O)N(C)CCNc2ncccc2-c2nn[n-]n2)cs1 ZINC001573548445 946852452 /nfs/dbraw/zinc/85/24/52/946852452.db2.gz KYJSKLFVDPBDJW-UHFFFAOYSA-N -1 3 387.429 0.861 20 0 GCADHM CC(=O)Nc1nc(CN[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cs1 ZINC001573548518 946852494 /nfs/dbraw/zinc/85/24/94/946852494.db2.gz MOVYLMWUPMAWOS-QMMMGPOBSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CN[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cs1 ZINC001573548518 946852506 /nfs/dbraw/zinc/85/25/06/946852506.db2.gz MOVYLMWUPMAWOS-QMMMGPOBSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001573548735 946857090 /nfs/dbraw/zinc/85/70/90/946857090.db2.gz SAKUXBCDBPEFPN-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001573548735 946857102 /nfs/dbraw/zinc/85/71/02/946857102.db2.gz SAKUXBCDBPEFPN-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1nc(CN2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cs1 ZINC001573548749 946859421 /nfs/dbraw/zinc/85/94/21/946859421.db2.gz SPJMUDMMFMAEMZ-UHFFFAOYSA-N -1 3 387.429 0.224 20 0 GCADHM CC(=O)Nc1nc(CN2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cs1 ZINC001573548749 946859436 /nfs/dbraw/zinc/85/94/36/946859436.db2.gz SPJMUDMMFMAEMZ-UHFFFAOYSA-N -1 3 387.429 0.224 20 0 GCADHM CC(=O)Nc1nc(CN(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cs1 ZINC001573548970 946863169 /nfs/dbraw/zinc/86/31/69/946863169.db2.gz ZEQINIJIXDGPFB-UHFFFAOYSA-N -1 3 389.445 0.472 20 0 GCADHM CC(=O)Nc1nc(CN(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cs1 ZINC001573548970 946863183 /nfs/dbraw/zinc/86/31/83/946863183.db2.gz ZEQINIJIXDGPFB-UHFFFAOYSA-N -1 3 389.445 0.472 20 0 GCADHM CC(=O)OC[C@@H](CO)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001573552572 946878304 /nfs/dbraw/zinc/87/83/04/946878304.db2.gz RHVLGKUBAMSQEI-MRVPVSSYSA-N -1 3 384.190 0.283 20 0 GCADHM CC(=O)OC[C@@H](CO)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001573552572 946878315 /nfs/dbraw/zinc/87/83/15/946878315.db2.gz RHVLGKUBAMSQEI-MRVPVSSYSA-N -1 3 384.190 0.283 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCCCO ZINC000824635215 946880556 /nfs/dbraw/zinc/88/05/56/946880556.db2.gz ZURBLNQTILQBPX-LBPRGKRZSA-N -1 3 396.473 0.202 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCCCO ZINC000824635215 946880574 /nfs/dbraw/zinc/88/05/74/946880574.db2.gz ZURBLNQTILQBPX-LBPRGKRZSA-N -1 3 396.473 0.202 20 0 GCADHM C[C@H](O)C[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824689082 946898070 /nfs/dbraw/zinc/89/80/70/946898070.db2.gz JZAWSUCONVCOPX-HUBLWGQQSA-N -1 3 387.444 0.821 20 0 GCADHM C[C@H](O)C[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824689082 946898079 /nfs/dbraw/zinc/89/80/79/946898079.db2.gz JZAWSUCONVCOPX-HUBLWGQQSA-N -1 3 387.444 0.821 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)O)cc1-c1nnn[n-]1 ZINC000824690025 946899098 /nfs/dbraw/zinc/89/90/98/946899098.db2.gz PGHXHECHQXLEIU-WDEREUQCSA-N -1 3 376.417 0.868 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)O)cc1-c1nn[n-]n1 ZINC000824690025 946899110 /nfs/dbraw/zinc/89/91/10/946899110.db2.gz PGHXHECHQXLEIU-WDEREUQCSA-N -1 3 376.417 0.868 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cn(CC2(C)COC2)nn1 ZINC001573554631 946902119 /nfs/dbraw/zinc/90/21/19/946902119.db2.gz YMYHGOPIJUVEHP-UHFFFAOYSA-N -1 3 382.384 0.950 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cn(CC2(C)COC2)nn1 ZINC001573554631 946902127 /nfs/dbraw/zinc/90/21/27/946902127.db2.gz YMYHGOPIJUVEHP-UHFFFAOYSA-N -1 3 382.384 0.950 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001573558770 946941685 /nfs/dbraw/zinc/94/16/85/946941685.db2.gz PJZRZEOECDOJII-LSDHHAIUSA-N -1 3 378.396 0.848 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001573558770 946941688 /nfs/dbraw/zinc/94/16/88/946941688.db2.gz PJZRZEOECDOJII-LSDHHAIUSA-N -1 3 378.396 0.848 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000824991867 947029820 /nfs/dbraw/zinc/02/98/20/947029820.db2.gz HRSROKFFWGYJSI-WDEREUQCSA-N -1 3 376.446 0.596 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000824991867 947029833 /nfs/dbraw/zinc/02/98/33/947029833.db2.gz HRSROKFFWGYJSI-WDEREUQCSA-N -1 3 376.446 0.596 20 0 GCADHM C=C=CCNC(=O)Nc1c(-c2nnn[n-]2)cn(CCOC)c1C(=O)OCC ZINC001573299719 947099457 /nfs/dbraw/zinc/09/94/57/947099457.db2.gz GWUGBLDGDIFSIN-UHFFFAOYSA-N -1 3 375.389 0.954 20 0 GCADHM C=C=CCNC(=O)Nc1c(-c2nn[n-]n2)cn(CCOC)c1C(=O)OCC ZINC001573299719 947099473 /nfs/dbraw/zinc/09/94/73/947099473.db2.gz GWUGBLDGDIFSIN-UHFFFAOYSA-N -1 3 375.389 0.954 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000825201139 947115315 /nfs/dbraw/zinc/11/53/15/947115315.db2.gz DTLJSIISYMGXDM-TZMCWYRMSA-N -1 3 375.433 0.275 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000825201139 947115327 /nfs/dbraw/zinc/11/53/27/947115327.db2.gz DTLJSIISYMGXDM-TZMCWYRMSA-N -1 3 375.433 0.275 20 0 GCADHM CC[C@@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@@H]1O ZINC000825209809 947121033 /nfs/dbraw/zinc/12/10/33/947121033.db2.gz CSEMZCVIOXQLEA-DOMZBBRYSA-N -1 3 382.428 0.694 20 0 GCADHM CC[C@@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@@H]1O ZINC000825209809 947121038 /nfs/dbraw/zinc/12/10/38/947121038.db2.gz CSEMZCVIOXQLEA-DOMZBBRYSA-N -1 3 382.428 0.694 20 0 GCADHM CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385523 947169494 /nfs/dbraw/zinc/16/94/94/947169494.db2.gz JHSWYNYKKWKBDT-UHFFFAOYSA-N -1 3 375.776 0.986 20 0 GCADHM CCN(C(=O)c1cn(C)c(=O)[nH]c1=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385523 947169502 /nfs/dbraw/zinc/16/95/02/947169502.db2.gz JHSWYNYKKWKBDT-UHFFFAOYSA-N -1 3 375.776 0.986 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000825494334 947204771 /nfs/dbraw/zinc/20/47/71/947204771.db2.gz WNFRFSJHPHHXAX-NSHDSACASA-N -1 3 392.441 0.515 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)N(C)Cc2ccccc2OC)c1-c1nnn[n-]1 ZINC000825564703 947222340 /nfs/dbraw/zinc/22/23/40/947222340.db2.gz DBTSOMQYJUBTEG-UHFFFAOYSA-N -1 3 399.411 0.907 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)N2CCO[C@H]3CCCC[C@H]32)c1-c1nnn[n-]1 ZINC000825565326 947224632 /nfs/dbraw/zinc/22/46/32/947224632.db2.gz RDTSCRVQVUNMBX-OLZOCXBDSA-N -1 3 389.416 0.410 20 0 GCADHM CCOC(=O)c1cnn(CCNS(=O)(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000825570598 947231709 /nfs/dbraw/zinc/23/17/09/947231709.db2.gz LKZZNKUNTOGSBO-UHFFFAOYSA-N -1 3 391.413 0.218 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncnc1 ZINC001573584895 947237691 /nfs/dbraw/zinc/23/76/91/947237691.db2.gz ALVYKLJOYBMPPP-WDEREUQCSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncnc1 ZINC001573584895 947237705 /nfs/dbraw/zinc/23/77/05/947237705.db2.gz ALVYKLJOYBMPPP-WDEREUQCSA-N -1 3 383.416 0.365 20 0 GCADHM C=C/C(C)=C/CC(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573315686 947256817 /nfs/dbraw/zinc/25/68/17/947256817.db2.gz DNMGDPQGZJTRGG-CJPFPAEUSA-N -1 3 387.419 0.981 20 0 GCADHM C=C/C(C)=C/CC(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573315686 947256831 /nfs/dbraw/zinc/25/68/31/947256831.db2.gz DNMGDPQGZJTRGG-CJPFPAEUSA-N -1 3 387.419 0.981 20 0 GCADHM C=C/C(C)=C\CC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573315687 947257972 /nfs/dbraw/zinc/25/79/72/947257972.db2.gz DNMGDPQGZJTRGG-FLRSBDJRSA-N -1 3 387.419 0.981 20 0 GCADHM C=C/C(C)=C\CC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573315687 947257982 /nfs/dbraw/zinc/25/79/82/947257982.db2.gz DNMGDPQGZJTRGG-FLRSBDJRSA-N -1 3 387.419 0.981 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCOCC2(CC2)C1 ZINC000825620790 947262023 /nfs/dbraw/zinc/26/20/23/947262023.db2.gz HZGCCBFYKGUZMB-UHFFFAOYSA-N -1 3 386.412 0.843 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCOCC2(CC2)C1 ZINC000825620790 947262039 /nfs/dbraw/zinc/26/20/39/947262039.db2.gz HZGCCBFYKGUZMB-UHFFFAOYSA-N -1 3 386.412 0.843 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573586403 947288915 /nfs/dbraw/zinc/28/89/15/947288915.db2.gz PPGCRSNQNOYRQQ-TZMCWYRMSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573586403 947288920 /nfs/dbraw/zinc/28/89/20/947288920.db2.gz PPGCRSNQNOYRQQ-TZMCWYRMSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573586402 947289766 /nfs/dbraw/zinc/28/97/66/947289766.db2.gz PPGCRSNQNOYRQQ-OCCSQVGLSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(C)C(=O)[C@@H](C)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573586402 947289776 /nfs/dbraw/zinc/28/97/76/947289776.db2.gz PPGCRSNQNOYRQQ-OCCSQVGLSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)C(F)(F)F ZINC001573591555 947317058 /nfs/dbraw/zinc/31/70/58/947317058.db2.gz CSWRXRSDSUCPJS-UWVGGRQHSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)C(F)(F)F ZINC001573591555 947317070 /nfs/dbraw/zinc/31/70/70/947317070.db2.gz CSWRXRSDSUCPJS-UWVGGRQHSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573591743 947319014 /nfs/dbraw/zinc/31/90/14/947319014.db2.gz FBHZOQMHUSETSP-MWLCHTKSSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573591743 947319027 /nfs/dbraw/zinc/31/90/27/947319027.db2.gz FBHZOQMHUSETSP-MWLCHTKSSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573592513 947338597 /nfs/dbraw/zinc/33/85/97/947338597.db2.gz DDJRKYQOISBNNZ-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573592513 947338612 /nfs/dbraw/zinc/33/86/12/947338612.db2.gz DDJRKYQOISBNNZ-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573592652 947345807 /nfs/dbraw/zinc/34/58/07/947345807.db2.gz MAIUDZRPRBPQHE-SECBINFHSA-N -1 3 384.487 0.004 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573593044 947358373 /nfs/dbraw/zinc/35/83/73/947358373.db2.gz POCOIXMCWDBGTB-RYUDHWBXSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573593044 947358388 /nfs/dbraw/zinc/35/83/88/947358388.db2.gz POCOIXMCWDBGTB-RYUDHWBXSA-N -1 3 391.476 0.768 20 0 GCADHM CN(C)c1nccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000825888870 947360286 /nfs/dbraw/zinc/36/02/86/947360286.db2.gz XRTFTVZFIDTFSC-UHFFFAOYSA-N -1 3 378.393 0.340 20 0 GCADHM CN(C)c1nccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000825888870 947360300 /nfs/dbraw/zinc/36/03/00/947360300.db2.gz XRTFTVZFIDTFSC-UHFFFAOYSA-N -1 3 378.393 0.340 20 0 GCADHM CN(CC(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(=O)C1CC1 ZINC000825897477 947360775 /nfs/dbraw/zinc/36/07/75/947360775.db2.gz GWBCAEJKGSXEHG-HNNXBMFYSA-N -1 3 398.423 0.774 20 0 GCADHM CN(CC(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(=O)C1CC1 ZINC000825897477 947360784 /nfs/dbraw/zinc/36/07/84/947360784.db2.gz GWBCAEJKGSXEHG-HNNXBMFYSA-N -1 3 398.423 0.774 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573593402 947369666 /nfs/dbraw/zinc/36/96/66/947369666.db2.gz SSYGQAHAIHBCSJ-FZMZJTMJSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573593402 947369674 /nfs/dbraw/zinc/36/96/74/947369674.db2.gz SSYGQAHAIHBCSJ-FZMZJTMJSA-N -1 3 389.460 0.522 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(-n2ccnc2)ccn1 ZINC000825933875 947375631 /nfs/dbraw/zinc/37/56/31/947375631.db2.gz HJAQAVQAXUBIEA-UHFFFAOYSA-N -1 3 393.415 0.458 20 0 GCADHM CN(CCS(C)(=O)=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825946060 947380236 /nfs/dbraw/zinc/38/02/36/947380236.db2.gz HBPUZPOMOVXASX-AWEZNQCLSA-N -1 3 378.458 0.339 20 0 GCADHM CN(CCS(C)(=O)=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825946060 947380248 /nfs/dbraw/zinc/38/02/48/947380248.db2.gz HBPUZPOMOVXASX-AWEZNQCLSA-N -1 3 378.458 0.339 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573593898 947380534 /nfs/dbraw/zinc/38/05/34/947380534.db2.gz MRLTVYPUATWVOO-SWLSCSKDSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001573594086 947387234 /nfs/dbraw/zinc/38/72/34/947387234.db2.gz XHQRFXBBIWQLBZ-GXTWGEPZSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001573594086 947387252 /nfs/dbraw/zinc/38/72/52/947387252.db2.gz XHQRFXBBIWQLBZ-GXTWGEPZSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573594207 947389343 /nfs/dbraw/zinc/38/93/43/947389343.db2.gz OSAFLTUBRUVXAT-LMWSTFAQSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573594207 947389350 /nfs/dbraw/zinc/38/93/50/947389350.db2.gz OSAFLTUBRUVXAT-LMWSTFAQSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001573594338 947391302 /nfs/dbraw/zinc/39/13/02/947391302.db2.gz AEINDMWMEFNESO-WDEREUQCSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001573594338 947391314 /nfs/dbraw/zinc/39/13/14/947391314.db2.gz AEINDMWMEFNESO-WDEREUQCSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573594703 947402497 /nfs/dbraw/zinc/40/24/97/947402497.db2.gz CNAZGJVUNZAEGT-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573594703 947402503 /nfs/dbraw/zinc/40/25/03/947402503.db2.gz CNAZGJVUNZAEGT-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573594706 947403231 /nfs/dbraw/zinc/40/32/31/947403231.db2.gz CNAZGJVUNZAEGT-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573594706 947403238 /nfs/dbraw/zinc/40/32/38/947403238.db2.gz CNAZGJVUNZAEGT-ZWNOBZJWSA-N -1 3 375.433 0.180 20 0 GCADHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2nc3ccccn3c2-c2nnn[n-]2)C1=O ZINC000826018437 947406166 /nfs/dbraw/zinc/40/61/66/947406166.db2.gz ZCWDEUIAFFZOLC-BMLIUANNSA-N -1 3 381.400 0.647 20 0 GCADHM CN1C(=O)N[C@@]2(CCC[C@@H]2CNc2nc3ccccn3c2-c2nn[n-]n2)C1=O ZINC000826018437 947406176 /nfs/dbraw/zinc/40/61/76/947406176.db2.gz ZCWDEUIAFFZOLC-BMLIUANNSA-N -1 3 381.400 0.647 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573594857 947407614 /nfs/dbraw/zinc/40/76/14/947407614.db2.gz DBRPEKWYLNKZNR-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573594857 947407620 /nfs/dbraw/zinc/40/76/20/947407620.db2.gz DBRPEKWYLNKZNR-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573594915 947410698 /nfs/dbraw/zinc/41/06/98/947410698.db2.gz DXXQLNOXCWCSET-SCZZXKLOSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573594915 947410704 /nfs/dbraw/zinc/41/07/04/947410704.db2.gz DXXQLNOXCWCSET-SCZZXKLOSA-N -1 3 385.375 0.035 20 0 GCADHM CN1CCN(C(=O)Cc2cccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c2)CC1 ZINC000826038408 947416738 /nfs/dbraw/zinc/41/67/38/947416738.db2.gz NCCDLSDBENEWDH-UHFFFAOYSA-N -1 3 394.439 0.764 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC000826090671 947424988 /nfs/dbraw/zinc/42/49/88/947424988.db2.gz KYIXGKZAHOUHOY-UHFFFAOYSA-N -1 3 392.397 0.469 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC000826090671 947424994 /nfs/dbraw/zinc/42/49/94/947424994.db2.gz KYIXGKZAHOUHOY-UHFFFAOYSA-N -1 3 392.397 0.469 20 0 GCADHM COC(=O)[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1cccc(O)c1 ZINC000826103649 947430157 /nfs/dbraw/zinc/43/01/57/947430157.db2.gz JMTUJDBBTRPWMB-OAHLLOKOSA-N -1 3 383.368 0.410 20 0 GCADHM COC(=O)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1cccc(O)c1 ZINC000826103649 947430165 /nfs/dbraw/zinc/43/01/65/947430165.db2.gz JMTUJDBBTRPWMB-OAHLLOKOSA-N -1 3 383.368 0.410 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1)c1cccnc1 ZINC001573597868 947438932 /nfs/dbraw/zinc/43/89/32/947438932.db2.gz PCRSHOGITYYYSZ-TZMCWYRMSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1)c1cccnc1 ZINC001573597868 947438935 /nfs/dbraw/zinc/43/89/35/947438935.db2.gz PCRSHOGITYYYSZ-TZMCWYRMSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1)c1cccnc1 ZINC001573597867 947439901 /nfs/dbraw/zinc/43/99/01/947439901.db2.gz PCRSHOGITYYYSZ-OCCSQVGLSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1)c1cccnc1 ZINC001573597867 947439908 /nfs/dbraw/zinc/43/99/08/947439908.db2.gz PCRSHOGITYYYSZ-OCCSQVGLSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)cn1)[C@H]1CCC(=O)N1 ZINC001573598419 947442586 /nfs/dbraw/zinc/44/25/86/947442586.db2.gz QTRCAEHONXVYCI-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)cn1)[C@H]1CCC(=O)N1 ZINC001573598419 947442600 /nfs/dbraw/zinc/44/26/00/947442600.db2.gz QTRCAEHONXVYCI-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001573598319 947443062 /nfs/dbraw/zinc/44/30/62/947443062.db2.gz QBBQKZONHZXHKQ-SMDDNHRTSA-N -1 3 385.432 0.030 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001573598319 947443069 /nfs/dbraw/zinc/44/30/69/947443069.db2.gz QBBQKZONHZXHKQ-SMDDNHRTSA-N -1 3 385.432 0.030 20 0 GCADHM COC(=O)C1(O)CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000826129333 947443967 /nfs/dbraw/zinc/44/39/67/947443967.db2.gz PFMRHKUVNZJQIQ-SNVBAGLBSA-N -1 3 392.416 0.403 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)(F)F ZINC001573598973 947447312 /nfs/dbraw/zinc/44/73/12/947447312.db2.gz SSPATMYXUXZLTP-SCZZXKLOSA-N -1 3 387.366 0.923 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)(F)F ZINC001573598973 947447324 /nfs/dbraw/zinc/44/73/24/947447324.db2.gz SSPATMYXUXZLTP-SCZZXKLOSA-N -1 3 387.366 0.923 20 0 GCADHM COC(=O)[C@H]1CN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000826134342 947450067 /nfs/dbraw/zinc/45/00/67/947450067.db2.gz VOQSRMSWEYRBHX-LSDHHAIUSA-N -1 3 386.412 0.236 20 0 GCADHM COC(=O)[C@H]1CN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000826134342 947450072 /nfs/dbraw/zinc/45/00/72/947450072.db2.gz VOQSRMSWEYRBHX-LSDHHAIUSA-N -1 3 386.412 0.236 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cccn1 ZINC001573599743 947459811 /nfs/dbraw/zinc/45/98/11/947459811.db2.gz ZVHPBHZGKFJGKK-VXGBXAGGSA-N -1 3 388.407 0.695 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cccn1 ZINC001573599743 947459817 /nfs/dbraw/zinc/45/98/17/947459817.db2.gz ZVHPBHZGKFJGKK-VXGBXAGGSA-N -1 3 388.407 0.695 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573602993 947475476 /nfs/dbraw/zinc/47/54/76/947475476.db2.gz IJELBXAIALEYSJ-LLVKDONJSA-N -1 3 385.432 0.262 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573602993 947475481 /nfs/dbraw/zinc/47/54/81/947475481.db2.gz IJELBXAIALEYSJ-LLVKDONJSA-N -1 3 385.432 0.262 20 0 GCADHM COCCCOCC(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826156547 947493558 /nfs/dbraw/zinc/49/35/58/947493558.db2.gz JFOUCYYEHBTCLB-HNNXBMFYSA-N -1 3 389.412 0.958 20 0 GCADHM COCCCOCC(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826156547 947493564 /nfs/dbraw/zinc/49/35/64/947493564.db2.gz JFOUCYYEHBTCLB-HNNXBMFYSA-N -1 3 389.412 0.958 20 0 GCADHM C[C@@H](C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCOCC1 ZINC001573603753 947496590 /nfs/dbraw/zinc/49/65/90/947496590.db2.gz PVIFMWDDSMSNFN-LLVKDONJSA-N -1 3 375.433 0.446 20 0 GCADHM C[C@@H](C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCOCC1 ZINC001573603753 947496598 /nfs/dbraw/zinc/49/65/98/947496598.db2.gz PVIFMWDDSMSNFN-LLVKDONJSA-N -1 3 375.433 0.446 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000826161805 947507434 /nfs/dbraw/zinc/50/74/34/947507434.db2.gz ATSPPAFPHRPOJA-SNVBAGLBSA-N -1 3 389.416 0.681 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000826161805 947507440 /nfs/dbraw/zinc/50/74/40/947507440.db2.gz ATSPPAFPHRPOJA-SNVBAGLBSA-N -1 3 389.416 0.681 20 0 GCADHM C[C@H](C(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573604576 947513899 /nfs/dbraw/zinc/51/38/99/947513899.db2.gz PHEWBYUAYSGGFF-JQWIXIFHSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](C(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573604576 947513907 /nfs/dbraw/zinc/51/39/07/947513907.db2.gz PHEWBYUAYSGGFF-JQWIXIFHSA-N -1 3 375.408 0.791 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000826163567 947514295 /nfs/dbraw/zinc/51/42/95/947514295.db2.gz ABFAGGLWUYWLHJ-UHFFFAOYSA-N -1 3 399.411 0.491 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000826163567 947514311 /nfs/dbraw/zinc/51/43/11/947514311.db2.gz ABFAGGLWUYWLHJ-UHFFFAOYSA-N -1 3 399.411 0.491 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573604686 947515288 /nfs/dbraw/zinc/51/52/88/947515288.db2.gz PNNULRSSLKMELG-VIFPVBQESA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573604686 947515298 /nfs/dbraw/zinc/51/52/98/947515298.db2.gz PNNULRSSLKMELG-VIFPVBQESA-N -1 3 385.375 0.037 20 0 GCADHM COCCn1cc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c(C)n1 ZINC000826164105 947517571 /nfs/dbraw/zinc/51/75/71/947517571.db2.gz ZZVMQBDIHYKOHP-UHFFFAOYSA-N -1 3 397.443 0.375 20 0 GCADHM COCCn1cc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c(C)n1 ZINC000826164105 947517578 /nfs/dbraw/zinc/51/75/78/947517578.db2.gz ZZVMQBDIHYKOHP-UHFFFAOYSA-N -1 3 397.443 0.375 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccc1 ZINC001573604988 947521742 /nfs/dbraw/zinc/52/17/42/947521742.db2.gz RNXJSDIQSIRDBV-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccc1 ZINC001573604988 947521748 /nfs/dbraw/zinc/52/17/48/947521748.db2.gz RNXJSDIQSIRDBV-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573605066 947523299 /nfs/dbraw/zinc/52/32/99/947523299.db2.gz UOLXFQVATRTOAC-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573605066 947523308 /nfs/dbraw/zinc/52/33/08/947523308.db2.gz UOLXFQVATRTOAC-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573607102 947541193 /nfs/dbraw/zinc/54/11/93/947541193.db2.gz FOQIOZQNTNHILF-SNVBAGLBSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573607102 947541206 /nfs/dbraw/zinc/54/12/06/947541206.db2.gz FOQIOZQNTNHILF-SNVBAGLBSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001573608412 947560595 /nfs/dbraw/zinc/56/05/95/947560595.db2.gz ZNYWAFWAPGTLGE-OCCSQVGLSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001573608412 947560602 /nfs/dbraw/zinc/56/06/02/947560602.db2.gz ZNYWAFWAPGTLGE-OCCSQVGLSA-N -1 3 375.433 0.310 20 0 GCADHM COc1cc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ncn1 ZINC000826180852 947561656 /nfs/dbraw/zinc/56/16/56/947561656.db2.gz ZTMABYKIQROEKK-UHFFFAOYSA-N -1 3 382.388 0.414 20 0 GCADHM COc1cc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ncn1 ZINC000826180852 947561669 /nfs/dbraw/zinc/56/16/69/947561669.db2.gz ZTMABYKIQROEKK-UHFFFAOYSA-N -1 3 382.388 0.414 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573613899 947572730 /nfs/dbraw/zinc/57/27/30/947572730.db2.gz BKNCZPORJGMQQE-CHWSQXEVSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573613899 947572738 /nfs/dbraw/zinc/57/27/38/947572738.db2.gz BKNCZPORJGMQQE-CHWSQXEVSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)(C)C1)n1cncn1 ZINC001573614024 947575145 /nfs/dbraw/zinc/57/51/45/947575145.db2.gz KHSHKERRMGBHTD-BXUZGUMPSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C1)n1cncn1 ZINC001573614024 947575152 /nfs/dbraw/zinc/57/51/52/947575152.db2.gz KHSHKERRMGBHTD-BXUZGUMPSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2)C1CC1 ZINC001573614147 947577776 /nfs/dbraw/zinc/57/77/76/947577776.db2.gz LFTWLTHGRTZMSD-CMPLNLGQSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2)C1CC1 ZINC001573614147 947577781 /nfs/dbraw/zinc/57/77/81/947577781.db2.gz LFTWLTHGRTZMSD-CMPLNLGQSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573614447 947586450 /nfs/dbraw/zinc/58/64/50/947586450.db2.gz FGVZYJNSIMWRBA-LBPRGKRZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573614447 947586456 /nfs/dbraw/zinc/58/64/56/947586456.db2.gz FGVZYJNSIMWRBA-LBPRGKRZSA-N -1 3 382.432 0.907 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cccc3c2OCO3)cc1-c1nnn[n-]1 ZINC000826196191 947594442 /nfs/dbraw/zinc/59/44/42/947594442.db2.gz SPWXOHUGJZVZNM-UHFFFAOYSA-N -1 3 396.363 0.859 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cccc3c2OCO3)cc1-c1nn[n-]n1 ZINC000826196191 947594446 /nfs/dbraw/zinc/59/44/46/947594446.db2.gz SPWXOHUGJZVZNM-UHFFFAOYSA-N -1 3 396.363 0.859 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccc1 ZINC001573615398 947604960 /nfs/dbraw/zinc/60/49/60/947604960.db2.gz DUJXEEGVKLGQMQ-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccc1 ZINC001573615398 947604972 /nfs/dbraw/zinc/60/49/72/947604972.db2.gz DUJXEEGVKLGQMQ-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2)C1CC1 ZINC001573615616 947606363 /nfs/dbraw/zinc/60/63/63/947606363.db2.gz TZERAPQIYOYEGU-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2)C1CC1 ZINC001573615616 947606370 /nfs/dbraw/zinc/60/63/70/947606370.db2.gz TZERAPQIYOYEGU-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM C=CS(=O)(=O)CCC(=O)N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573351282 947610414 /nfs/dbraw/zinc/61/04/14/947610414.db2.gz PDUMUGSISFHMIF-LBPRGKRZSA-N -1 3 378.414 0.190 20 0 GCADHM C=CS(=O)(=O)CCC(=O)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573351282 947610420 /nfs/dbraw/zinc/61/04/20/947610420.db2.gz PDUMUGSISFHMIF-LBPRGKRZSA-N -1 3 378.414 0.190 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573615784 947613057 /nfs/dbraw/zinc/61/30/57/947613057.db2.gz KLXZEQLEQAYYOA-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573615784 947613063 /nfs/dbraw/zinc/61/30/63/947613063.db2.gz KLXZEQLEQAYYOA-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2)C1CC1 ZINC001573616005 947615498 /nfs/dbraw/zinc/61/54/98/947615498.db2.gz URLGKZIDMXFWEI-GXFFZTMASA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2)C1CC1 ZINC001573616005 947615508 /nfs/dbraw/zinc/61/55/08/947615508.db2.gz URLGKZIDMXFWEI-GXFFZTMASA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573617039 947632072 /nfs/dbraw/zinc/63/20/72/947632072.db2.gz KWOZDOZUADBRAI-ZYHUDNBSSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573617039 947632077 /nfs/dbraw/zinc/63/20/77/947632077.db2.gz KWOZDOZUADBRAI-ZYHUDNBSSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573617686 947638721 /nfs/dbraw/zinc/63/87/21/947638721.db2.gz MNHACCZABAUPFC-TZMCWYRMSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573617686 947638729 /nfs/dbraw/zinc/63/87/29/947638729.db2.gz MNHACCZABAUPFC-TZMCWYRMSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573617826 947640830 /nfs/dbraw/zinc/64/08/30/947640830.db2.gz NJDFDDXVNCGTPE-AAEUAGOBSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573617826 947640837 /nfs/dbraw/zinc/64/08/37/947640837.db2.gz NJDFDDXVNCGTPE-AAEUAGOBSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573617827 947641297 /nfs/dbraw/zinc/64/12/97/947641297.db2.gz NJDFDDXVNCGTPE-DGCLKSJQSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573617827 947641307 /nfs/dbraw/zinc/64/13/07/947641307.db2.gz NJDFDDXVNCGTPE-DGCLKSJQSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573617717 947641420 /nfs/dbraw/zinc/64/14/20/947641420.db2.gz MPUGOZDXNVPTMH-SWLSCSKDSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573617717 947641429 /nfs/dbraw/zinc/64/14/29/947641429.db2.gz MPUGOZDXNVPTMH-SWLSCSKDSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573617844 947641503 /nfs/dbraw/zinc/64/15/03/947641503.db2.gz PSZRGJXAMHVUGA-APPDUMDISA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573617844 947641510 /nfs/dbraw/zinc/64/15/10/947641510.db2.gz PSZRGJXAMHVUGA-APPDUMDISA-N -1 3 383.416 0.373 20 0 GCADHM C=Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cc1 ZINC001573355345 947641659 /nfs/dbraw/zinc/64/16/59/947641659.db2.gz ODKPNCKPXYSACM-HZPDHXFCSA-N -1 3 393.407 0.453 20 0 GCADHM C=Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cc1 ZINC001573355345 947641667 /nfs/dbraw/zinc/64/16/67/947641667.db2.gz ODKPNCKPXYSACM-HZPDHXFCSA-N -1 3 393.407 0.453 20 0 GCADHM C[C@H](C(=O)N1CCC(CNc2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573619273 947661937 /nfs/dbraw/zinc/66/19/37/947661937.db2.gz VIBGFUMVXSULDS-GFCCVEGCSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC(CNc2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573619273 947661948 /nfs/dbraw/zinc/66/19/48/947661948.db2.gz VIBGFUMVXSULDS-GFCCVEGCSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001573619599 947667677 /nfs/dbraw/zinc/66/76/77/947667677.db2.gz WABKQWPDPKBQCN-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001573619599 947667688 /nfs/dbraw/zinc/66/76/88/947667688.db2.gz WABKQWPDPKBQCN-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CS[C@@H]1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1N(C)C ZINC000826227465 947668093 /nfs/dbraw/zinc/66/80/93/947668093.db2.gz RGUDSEUUORODBW-LSDHHAIUSA-N -1 3 396.542 0.618 20 0 GCADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCN1S(C)(=O)=O ZINC000826232522 947679017 /nfs/dbraw/zinc/67/90/17/947679017.db2.gz TVNXYWBWHYCOBD-NSHDSACASA-N -1 3 396.498 0.451 20 0 GCADHM C[C@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCN1S(C)(=O)=O ZINC000826232522 947679029 /nfs/dbraw/zinc/67/90/29/947679029.db2.gz TVNXYWBWHYCOBD-NSHDSACASA-N -1 3 396.498 0.451 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573620293 947679019 /nfs/dbraw/zinc/67/90/19/947679019.db2.gz ZICJFWUCXWCOTA-XIKOKIGWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573620293 947679030 /nfs/dbraw/zinc/67/90/30/947679030.db2.gz ZICJFWUCXWCOTA-XIKOKIGWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001573622601 947680892 /nfs/dbraw/zinc/68/08/92/947680892.db2.gz BHPOICRSULOCRC-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001573622601 947680897 /nfs/dbraw/zinc/68/08/97/947680897.db2.gz BHPOICRSULOCRC-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573625915 947704549 /nfs/dbraw/zinc/70/45/49/947704549.db2.gz QCZFIQCYLJCLOA-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573625915 947704554 /nfs/dbraw/zinc/70/45/54/947704554.db2.gz QCZFIQCYLJCLOA-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573626306 947707541 /nfs/dbraw/zinc/70/75/41/947707541.db2.gz SVPDNCFVBBFTMM-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573626306 947707553 /nfs/dbraw/zinc/70/75/53/947707553.db2.gz SVPDNCFVBBFTMM-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573626355 947709234 /nfs/dbraw/zinc/70/92/34/947709234.db2.gz TUUBGFYUVXGRTL-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573626355 947709243 /nfs/dbraw/zinc/70/92/43/947709243.db2.gz TUUBGFYUVXGRTL-AAEUAGOBSA-N -1 3 383.416 0.325 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000826246847 947723988 /nfs/dbraw/zinc/72/39/88/947723988.db2.gz NGPUEDJIIRZLNN-HNNXBMFYSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000826246847 947723997 /nfs/dbraw/zinc/72/39/97/947723997.db2.gz NGPUEDJIIRZLNN-HNNXBMFYSA-N -1 3 380.412 0.834 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573627565 947727852 /nfs/dbraw/zinc/72/78/52/947727852.db2.gz ARJPOHPKOZDILU-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573627565 947727863 /nfs/dbraw/zinc/72/78/63/947727863.db2.gz ARJPOHPKOZDILU-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573627859 947736514 /nfs/dbraw/zinc/73/65/14/947736514.db2.gz GDEUMEFAJCYSRC-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM Cc1cc(C(=O)NCCNc2cnccn2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259305 947748611 /nfs/dbraw/zinc/74/86/11/947748611.db2.gz ODYNYVMLOXVNEV-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM Cc1cc(C(=O)NCCNc2cnccn2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259305 947748618 /nfs/dbraw/zinc/74/86/18/947748618.db2.gz ODYNYVMLOXVNEV-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573628573 947759236 /nfs/dbraw/zinc/75/92/36/947759236.db2.gz ITDCVVYCMIQQCH-OCCSQVGLSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573628573 947759244 /nfs/dbraw/zinc/75/92/44/947759244.db2.gz ITDCVVYCMIQQCH-OCCSQVGLSA-N -1 3 382.432 0.542 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573367974 947764869 /nfs/dbraw/zinc/76/48/69/947764869.db2.gz JXJFNNXOUDESMG-OKILXGFUSA-N -1 3 385.428 0.770 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573367974 947764876 /nfs/dbraw/zinc/76/48/76/947764876.db2.gz JXJFNNXOUDESMG-OKILXGFUSA-N -1 3 385.428 0.770 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573368285 947766600 /nfs/dbraw/zinc/76/66/00/947766600.db2.gz LTCUGFZYNSJJLE-SFHVURJKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573368285 947766605 /nfs/dbraw/zinc/76/66/05/947766605.db2.gz LTCUGFZYNSJJLE-SFHVURJKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573368740 947769156 /nfs/dbraw/zinc/76/91/56/947769156.db2.gz OOOYBTNEBLIIPA-CQSZACIVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573368740 947769160 /nfs/dbraw/zinc/76/91/60/947769160.db2.gz OOOYBTNEBLIIPA-CQSZACIVSA-N -1 3 387.444 0.921 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)no1 ZINC000826269586 947779317 /nfs/dbraw/zinc/77/93/17/947779317.db2.gz QAXKURDIISBUKL-UHFFFAOYSA-N -1 3 393.367 0.808 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)no1 ZINC000826269586 947779324 /nfs/dbraw/zinc/77/93/24/947779324.db2.gz QAXKURDIISBUKL-UHFFFAOYSA-N -1 3 393.367 0.808 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573629473 947779405 /nfs/dbraw/zinc/77/94/05/947779405.db2.gz UIFBWHWBWVUDQC-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573629473 947779413 /nfs/dbraw/zinc/77/94/13/947779413.db2.gz UIFBWHWBWVUDQC-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573630096 947788635 /nfs/dbraw/zinc/78/86/35/947788635.db2.gz QLNFAQMQSWMAER-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573630096 947788638 /nfs/dbraw/zinc/78/86/38/947788638.db2.gz QLNFAQMQSWMAER-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573373674 947798080 /nfs/dbraw/zinc/79/80/80/947798080.db2.gz KCYXVEHPUNACCL-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573373674 947798089 /nfs/dbraw/zinc/79/80/89/947798089.db2.gz KCYXVEHPUNACCL-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000826277560 947798318 /nfs/dbraw/zinc/79/83/18/947798318.db2.gz XZEBETQFZWARBN-UHFFFAOYSA-N -1 3 381.400 0.286 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000826277560 947798326 /nfs/dbraw/zinc/79/83/26/947798326.db2.gz XZEBETQFZWARBN-UHFFFAOYSA-N -1 3 381.400 0.286 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573632061 947806669 /nfs/dbraw/zinc/80/66/69/947806669.db2.gz YQOHUSYOFYZJTR-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573632061 947806675 /nfs/dbraw/zinc/80/66/75/947806675.db2.gz YQOHUSYOFYZJTR-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573374686 947811668 /nfs/dbraw/zinc/81/16/68/947811668.db2.gz PDCLHIXMRNWEEF-SMDDNHRTSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573374686 947811672 /nfs/dbraw/zinc/81/16/72/947811672.db2.gz PDCLHIXMRNWEEF-SMDDNHRTSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573375093 947815823 /nfs/dbraw/zinc/81/58/23/947815823.db2.gz QQSYHJIULQEIKA-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573375093 947815828 /nfs/dbraw/zinc/81/58/28/947815828.db2.gz QQSYHJIULQEIKA-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573637561 947816522 /nfs/dbraw/zinc/81/65/22/947816522.db2.gz IUNRMGODYPTPSR-GFCCVEGCSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573637561 947816529 /nfs/dbraw/zinc/81/65/29/947816529.db2.gz IUNRMGODYPTPSR-GFCCVEGCSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@H](C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573637556 947817810 /nfs/dbraw/zinc/81/78/10/947817810.db2.gz ILMCMYDVIIUZIT-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573637556 947817821 /nfs/dbraw/zinc/81/78/21/947817821.db2.gz ILMCMYDVIIUZIT-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccn1 ZINC001573637599 947820579 /nfs/dbraw/zinc/82/05/79/947820579.db2.gz JWRAMWMQSALCBQ-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccn1 ZINC001573637599 947820591 /nfs/dbraw/zinc/82/05/91/947820591.db2.gz JWRAMWMQSALCBQ-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573375806 947825886 /nfs/dbraw/zinc/82/58/86/947825886.db2.gz QCVADASOWVYEAV-CQSZACIVSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573375806 947825893 /nfs/dbraw/zinc/82/58/93/947825893.db2.gz QCVADASOWVYEAV-CQSZACIVSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573375960 947827875 /nfs/dbraw/zinc/82/78/75/947827875.db2.gz VAGOMXYNABPJMF-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573375960 947827878 /nfs/dbraw/zinc/82/78/78/947827878.db2.gz VAGOMXYNABPJMF-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1ccnn1C ZINC001573638021 947830412 /nfs/dbraw/zinc/83/04/12/947830412.db2.gz ASUFJNNPOUGFTJ-NSHDSACASA-N -1 3 383.416 0.016 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1ccnn1C ZINC001573638021 947830421 /nfs/dbraw/zinc/83/04/21/947830421.db2.gz ASUFJNNPOUGFTJ-NSHDSACASA-N -1 3 383.416 0.016 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001573376301 947833673 /nfs/dbraw/zinc/83/36/73/947833673.db2.gz YBVGQVXHMFJJBZ-RISCZKNCSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001573376301 947833678 /nfs/dbraw/zinc/83/36/78/947833678.db2.gz YBVGQVXHMFJJBZ-RISCZKNCSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573638550 947839967 /nfs/dbraw/zinc/83/99/67/947839967.db2.gz PKIJWBYINFLFPD-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573638550 947839972 /nfs/dbraw/zinc/83/99/72/947839972.db2.gz PKIJWBYINFLFPD-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CCOCC1 ZINC001573638756 947842171 /nfs/dbraw/zinc/84/21/71/947842171.db2.gz UKRGXJYVMPVYTR-GFCCVEGCSA-N -1 3 387.444 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CCOCC1 ZINC001573638756 947842177 /nfs/dbraw/zinc/84/21/77/947842177.db2.gz UKRGXJYVMPVYTR-GFCCVEGCSA-N -1 3 387.444 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1ccnn1C ZINC001573638736 947842951 /nfs/dbraw/zinc/84/29/51/947842951.db2.gz TZFSJPHIEYZQCD-LLVKDONJSA-N -1 3 383.416 0.016 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1ccnn1C ZINC001573638736 947842958 /nfs/dbraw/zinc/84/29/58/947842958.db2.gz TZFSJPHIEYZQCD-LLVKDONJSA-N -1 3 383.416 0.016 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573376897 947843709 /nfs/dbraw/zinc/84/37/09/947843709.db2.gz DIKYCJFQTRYDCP-GHMZBOCLSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573376897 947843713 /nfs/dbraw/zinc/84/37/13/947843713.db2.gz DIKYCJFQTRYDCP-GHMZBOCLSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573377093 947845660 /nfs/dbraw/zinc/84/56/60/947845660.db2.gz HXHBMRUXOUHJSE-IUODEOHRSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573377093 947845666 /nfs/dbraw/zinc/84/56/66/947845666.db2.gz HXHBMRUXOUHJSE-IUODEOHRSA-N -1 3 385.428 0.627 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573377118 947846622 /nfs/dbraw/zinc/84/66/22/947846622.db2.gz IMFCPGXPVMLSOW-NFAWXSAZSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573377118 947846628 /nfs/dbraw/zinc/84/66/28/947846628.db2.gz IMFCPGXPVMLSOW-NFAWXSAZSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N[C@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573377411 947850617 /nfs/dbraw/zinc/85/06/17/947850617.db2.gz NMBBBGXEHSGDBP-GOSISDBHSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573377411 947850624 /nfs/dbraw/zinc/85/06/24/947850624.db2.gz NMBBBGXEHSGDBP-GOSISDBHSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@@H](C(=O)N1CCOC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1)C1CC1 ZINC001573640507 947852871 /nfs/dbraw/zinc/85/28/71/947852871.db2.gz HUZNSOQIOMKDHM-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](C(=O)N1CCOC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1)C1CC1 ZINC001573640507 947852877 /nfs/dbraw/zinc/85/28/77/947852877.db2.gz HUZNSOQIOMKDHM-LLVKDONJSA-N -1 3 385.428 0.294 20 0 GCADHM CC(=O)CCCC(=O)N[C@](C)(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573378223 947855242 /nfs/dbraw/zinc/85/52/42/947855242.db2.gz WURVZLKRQRAFLG-GOSISDBHSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@](C)(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573378223 947855252 /nfs/dbraw/zinc/85/52/52/947855252.db2.gz WURVZLKRQRAFLG-GOSISDBHSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573642391 947861673 /nfs/dbraw/zinc/86/16/73/947861673.db2.gz QCFNYDVEKIEDRC-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573642391 947861680 /nfs/dbraw/zinc/86/16/80/947861680.db2.gz QCFNYDVEKIEDRC-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573380570 947861858 /nfs/dbraw/zinc/86/18/58/947861858.db2.gz FVONIHHIKVPCAK-DLBZAZTESA-N -1 3 386.456 0.677 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573380878 947865578 /nfs/dbraw/zinc/86/55/78/947865578.db2.gz JBPHQGBUIRZRMT-SFHVURJKSA-N -1 3 387.444 0.387 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573380878 947865580 /nfs/dbraw/zinc/86/55/80/947865580.db2.gz JBPHQGBUIRZRMT-SFHVURJKSA-N -1 3 387.444 0.387 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573380937 947866609 /nfs/dbraw/zinc/86/66/09/947866609.db2.gz KOMCBPUUIPPLAB-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573380937 947866613 /nfs/dbraw/zinc/86/66/13/947866613.db2.gz KOMCBPUUIPPLAB-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573644081 947867454 /nfs/dbraw/zinc/86/74/54/947867454.db2.gz XXYNGXRBCKDCQO-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573644081 947867457 /nfs/dbraw/zinc/86/74/57/947867457.db2.gz XXYNGXRBCKDCQO-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)n1cncn1 ZINC001573645813 947870266 /nfs/dbraw/zinc/87/02/66/947870266.db2.gz BNOFERBUFAFLII-MBNYWOFBSA-N -1 3 380.416 0.152 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)n1cncn1 ZINC001573645813 947870277 /nfs/dbraw/zinc/87/02/77/947870277.db2.gz BNOFERBUFAFLII-MBNYWOFBSA-N -1 3 380.416 0.152 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573381185 947870349 /nfs/dbraw/zinc/87/03/49/947870349.db2.gz PZZWPIVQLZYMQF-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573381185 947870357 /nfs/dbraw/zinc/87/03/57/947870357.db2.gz PZZWPIVQLZYMQF-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573381267 947872756 /nfs/dbraw/zinc/87/27/56/947872756.db2.gz SEXLZIQQUDXRCS-UHFFFAOYSA-N -1 3 390.419 0.428 20 0 GCADHM CC(=O)CCCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573381267 947872763 /nfs/dbraw/zinc/87/27/63/947872763.db2.gz SEXLZIQQUDXRCS-UHFFFAOYSA-N -1 3 390.419 0.428 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573381647 947876724 /nfs/dbraw/zinc/87/67/24/947876724.db2.gz XEPJCFIRGNDLJW-CHWSQXEVSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573381647 947876734 /nfs/dbraw/zinc/87/67/34/947876734.db2.gz XEPJCFIRGNDLJW-CHWSQXEVSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1(C)C ZINC001573381750 947878608 /nfs/dbraw/zinc/87/86/08/947878608.db2.gz YOCRSCJFABVWTP-AWEZNQCLSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001573381750 947878613 /nfs/dbraw/zinc/87/86/13/947878613.db2.gz YOCRSCJFABVWTP-AWEZNQCLSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)n1cccn1 ZINC001573646789 947880511 /nfs/dbraw/zinc/88/05/11/947880511.db2.gz VKFFEHCFYLRBQI-VNHYZAJKSA-N -1 3 379.428 0.757 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)n1cccn1 ZINC001573646789 947880518 /nfs/dbraw/zinc/88/05/18/947880518.db2.gz VKFFEHCFYLRBQI-VNHYZAJKSA-N -1 3 379.428 0.757 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1Cc1ccccc1-c1nnn[n-]1 ZINC001573382327 947882402 /nfs/dbraw/zinc/88/24/02/947882402.db2.gz FJCZERGLMKPCKJ-MRXNPFEDSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001573382327 947882407 /nfs/dbraw/zinc/88/24/07/947882407.db2.gz FJCZERGLMKPCKJ-MRXNPFEDSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573383143 947889578 /nfs/dbraw/zinc/88/95/78/947889578.db2.gz NXZACFGJTDLVOM-ZDUSSCGKSA-N -1 3 391.407 0.482 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573383143 947889584 /nfs/dbraw/zinc/88/95/84/947889584.db2.gz NXZACFGJTDLVOM-ZDUSSCGKSA-N -1 3 391.407 0.482 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001573383214 947889964 /nfs/dbraw/zinc/88/99/64/947889964.db2.gz QDHXUEFPVQPNHV-WCQYABFASA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001573383214 947889971 /nfs/dbraw/zinc/88/99/71/947889971.db2.gz QDHXUEFPVQPNHV-WCQYABFASA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573383531 947895176 /nfs/dbraw/zinc/89/51/76/947895176.db2.gz VRWRHQXLHUTFTO-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573383531 947895184 /nfs/dbraw/zinc/89/51/84/947895184.db2.gz VRWRHQXLHUTFTO-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NCC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573383532 947895772 /nfs/dbraw/zinc/89/57/72/947895772.db2.gz VRWRHQXLHUTFTO-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NCC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573383532 947895780 /nfs/dbraw/zinc/89/57/80/947895780.db2.gz VRWRHQXLHUTFTO-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001573383802 947895815 /nfs/dbraw/zinc/89/58/15/947895815.db2.gz XQEBDIMTVGCCMI-BXUZGUMPSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001573383802 947895822 /nfs/dbraw/zinc/89/58/22/947895822.db2.gz XQEBDIMTVGCCMI-BXUZGUMPSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1O ZINC001573384187 947900203 /nfs/dbraw/zinc/90/02/03/947900203.db2.gz IPYAQAPVRJBOQP-GHMZBOCLSA-N -1 3 379.446 0.057 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573647915 947904123 /nfs/dbraw/zinc/90/41/23/947904123.db2.gz VMCHXFPPKDBISN-OASPWFOLSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573647915 947904128 /nfs/dbraw/zinc/90/41/28/947904128.db2.gz VMCHXFPPKDBISN-OASPWFOLSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573648293 947906955 /nfs/dbraw/zinc/90/69/55/947906955.db2.gz YIZMQXPDWDUSFA-ZWKOPEQDSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573648293 947906961 /nfs/dbraw/zinc/90/69/61/947906961.db2.gz YIZMQXPDWDUSFA-ZWKOPEQDSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N1CCc2c1cccc2-c1nnn[n-]1)S(=O)(=O)C1CCOCC1 ZINC001573648449 947908538 /nfs/dbraw/zinc/90/85/38/947908538.db2.gz ZUMJXMJHGDAWBZ-LLVKDONJSA-N -1 3 391.453 0.738 20 0 GCADHM C[C@H](C(=O)N1CCc2c1cccc2-c1nn[n-]n1)S(=O)(=O)C1CCOCC1 ZINC001573648449 947908540 /nfs/dbraw/zinc/90/85/40/947908540.db2.gz ZUMJXMJHGDAWBZ-LLVKDONJSA-N -1 3 391.453 0.738 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573650404 947911199 /nfs/dbraw/zinc/91/11/99/947911199.db2.gz BHEPAOVJQVRPIB-ADDUCUOXSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573650404 947911208 /nfs/dbraw/zinc/91/12/08/947911208.db2.gz BHEPAOVJQVRPIB-ADDUCUOXSA-N -1 3 392.423 0.580 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573388061 947915600 /nfs/dbraw/zinc/91/56/00/947915600.db2.gz HGRQRQMDCJOERE-UHFFFAOYSA-N -1 3 377.424 0.374 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573388061 947915606 /nfs/dbraw/zinc/91/56/06/947915606.db2.gz HGRQRQMDCJOERE-UHFFFAOYSA-N -1 3 377.424 0.374 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573388139 947916412 /nfs/dbraw/zinc/91/64/12/947916412.db2.gz IMDQLPASCRHARB-FZMZJTMJSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573388139 947916418 /nfs/dbraw/zinc/91/64/18/947916418.db2.gz IMDQLPASCRHARB-FZMZJTMJSA-N -1 3 386.460 0.555 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573651202 947917335 /nfs/dbraw/zinc/91/73/35/947917335.db2.gz JTMDLQHXQSKZDK-WOPDTQHZSA-N -1 3 381.400 0.078 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573651202 947917342 /nfs/dbraw/zinc/91/73/42/947917342.db2.gz JTMDLQHXQSKZDK-WOPDTQHZSA-N -1 3 381.400 0.078 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001573651217 947918004 /nfs/dbraw/zinc/91/80/04/947918004.db2.gz KFKXFAPHGFOVRH-KMUNFCNLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C1CCCC1 ZINC001573651217 947918010 /nfs/dbraw/zinc/91/80/10/947918010.db2.gz KFKXFAPHGFOVRH-KMUNFCNLSA-N -1 3 387.444 0.323 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573388346 947918641 /nfs/dbraw/zinc/91/86/41/947918641.db2.gz LFQBWVJVLYJNDS-AWEZNQCLSA-N -1 3 389.435 0.517 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573388346 947918651 /nfs/dbraw/zinc/91/86/51/947918651.db2.gz LFQBWVJVLYJNDS-AWEZNQCLSA-N -1 3 389.435 0.517 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573388617 947920113 /nfs/dbraw/zinc/92/01/13/947920113.db2.gz MWEZYVHWJBCCAK-UHFFFAOYSA-N -1 3 392.489 0.537 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573388598 947920827 /nfs/dbraw/zinc/92/08/27/947920827.db2.gz MNSVPTXMXDUTTE-AAEUAGOBSA-N -1 3 389.435 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573388598 947920833 /nfs/dbraw/zinc/92/08/33/947920833.db2.gz MNSVPTXMXDUTTE-AAEUAGOBSA-N -1 3 389.435 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001573388612 947921085 /nfs/dbraw/zinc/92/10/85/947921085.db2.gz MSEAGDSDTNZFPJ-CABZTGNLSA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001573388612 947921089 /nfs/dbraw/zinc/92/10/89/947921089.db2.gz MSEAGDSDTNZFPJ-CABZTGNLSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573651636 947922110 /nfs/dbraw/zinc/92/21/10/947922110.db2.gz NQBYEWQOYNQCNJ-LSJOCFKGSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573651636 947922112 /nfs/dbraw/zinc/92/21/12/947922112.db2.gz NQBYEWQOYNQCNJ-LSJOCFKGSA-N -1 3 379.371 0.911 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573389055 947922282 /nfs/dbraw/zinc/92/22/82/947922282.db2.gz PHKVRFLVBAJMGR-NSHDSACASA-N -1 3 378.462 0.147 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573651728 947923540 /nfs/dbraw/zinc/92/35/40/947923540.db2.gz PZXMDGCKUBWNNE-ADDUCUOXSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573651728 947923544 /nfs/dbraw/zinc/92/35/44/947923544.db2.gz PZXMDGCKUBWNNE-ADDUCUOXSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573651709 947923683 /nfs/dbraw/zinc/92/36/83/947923683.db2.gz PNFHBKDVKISZKI-VGMNWLOBSA-N -1 3 383.334 0.819 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573651709 947923691 /nfs/dbraw/zinc/92/36/91/947923691.db2.gz PNFHBKDVKISZKI-VGMNWLOBSA-N -1 3 383.334 0.819 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573389436 947924523 /nfs/dbraw/zinc/92/45/23/947924523.db2.gz QSLCLLTXGFCUIJ-UHFFFAOYSA-N -1 3 388.476 0.945 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573389436 947924526 /nfs/dbraw/zinc/92/45/26/947924526.db2.gz QSLCLLTXGFCUIJ-UHFFFAOYSA-N -1 3 388.476 0.945 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573651929 947924787 /nfs/dbraw/zinc/92/47/87/947924787.db2.gz QZEWJKVVZWPVGB-CQDKDKBSSA-N -1 3 392.423 0.819 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573651929 947924795 /nfs/dbraw/zinc/92/47/95/947924795.db2.gz QZEWJKVVZWPVGB-CQDKDKBSSA-N -1 3 392.423 0.819 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNc1nc(C)ccc1-c1nnn[n-]1)C1CC1 ZINC001573389955 947925883 /nfs/dbraw/zinc/92/58/83/947925883.db2.gz VOXLEKCCCWGSDC-HNNXBMFYSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNc1nc(C)ccc1-c1nn[n-]n1)C1CC1 ZINC001573389955 947925889 /nfs/dbraw/zinc/92/58/89/947925889.db2.gz VOXLEKCCCWGSDC-HNNXBMFYSA-N -1 3 386.460 0.697 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001573652024 947927829 /nfs/dbraw/zinc/92/78/29/947927829.db2.gz UNQQPLYSLILTIX-FWTMIXAASA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001573652024 947927847 /nfs/dbraw/zinc/92/78/47/947927847.db2.gz UNQQPLYSLILTIX-FWTMIXAASA-N -1 3 385.428 0.197 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001573389979 947927858 /nfs/dbraw/zinc/92/78/58/947927858.db2.gz VRRPQNBMABDZNG-HNNXBMFYSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001573389979 947927868 /nfs/dbraw/zinc/92/78/68/947927868.db2.gz VRRPQNBMABDZNG-HNNXBMFYSA-N -1 3 386.460 0.697 20 0 GCADHM C[C@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccn1 ZINC001573652109 947928841 /nfs/dbraw/zinc/92/88/41/947928841.db2.gz AZGUNOKHSSLIRY-QMTHXVAHSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccn1 ZINC001573652109 947928846 /nfs/dbraw/zinc/92/88/46/947928846.db2.gz AZGUNOKHSSLIRY-QMTHXVAHSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573652079 947930258 /nfs/dbraw/zinc/93/02/58/947930258.db2.gz AOPXTYZQOBEODO-NEPJUHHUSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573652079 947930270 /nfs/dbraw/zinc/93/02/70/947930270.db2.gz AOPXTYZQOBEODO-NEPJUHHUSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001573652171 947931342 /nfs/dbraw/zinc/93/13/42/947931342.db2.gz VMCHXFPPKDBISN-BIMULSAOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001573652171 947931348 /nfs/dbraw/zinc/93/13/48/947931348.db2.gz VMCHXFPPKDBISN-BIMULSAOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573652268 947932971 /nfs/dbraw/zinc/93/29/71/947932971.db2.gz WPKRBXBDBKHUDC-HGTKMLMNSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573652268 947932976 /nfs/dbraw/zinc/93/29/76/947932976.db2.gz WPKRBXBDBKHUDC-HGTKMLMNSA-N -1 3 383.456 0.971 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573390908 947933575 /nfs/dbraw/zinc/93/35/75/947933575.db2.gz DREIHNQDULJJJV-GFCCVEGCSA-N -1 3 392.489 0.903 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573391222 947934005 /nfs/dbraw/zinc/93/40/05/947934005.db2.gz FTDJKJMUKSSPGO-UHFFFAOYSA-N -1 3 375.408 0.128 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573391222 947934012 /nfs/dbraw/zinc/93/40/12/947934012.db2.gz FTDJKJMUKSSPGO-UHFFFAOYSA-N -1 3 375.408 0.128 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573652382 947937416 /nfs/dbraw/zinc/93/74/16/947937416.db2.gz YOGJUSVWNOORDZ-DRZSPHRISA-N -1 3 381.400 0.078 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573652382 947937420 /nfs/dbraw/zinc/93/74/20/947937420.db2.gz YOGJUSVWNOORDZ-DRZSPHRISA-N -1 3 381.400 0.078 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccs1 ZINC001573652450 947937872 /nfs/dbraw/zinc/93/78/72/947937872.db2.gz CHBNAOSVTIESPQ-NXEZZACHSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccs1 ZINC001573652450 947937880 /nfs/dbraw/zinc/93/78/80/947937880.db2.gz CHBNAOSVTIESPQ-NXEZZACHSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573652395 947938340 /nfs/dbraw/zinc/93/83/40/947938340.db2.gz YWEMSKZNISBLLV-NYMYIZQJSA-N -1 3 381.396 0.778 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573652395 947938346 /nfs/dbraw/zinc/93/83/46/947938346.db2.gz YWEMSKZNISBLLV-NYMYIZQJSA-N -1 3 381.396 0.778 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573652437 947938486 /nfs/dbraw/zinc/93/84/86/947938486.db2.gz ZSENLZCIAMSHHS-UGFHNGPFSA-N -1 3 392.423 0.819 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573652437 947938493 /nfs/dbraw/zinc/93/84/93/947938493.db2.gz ZSENLZCIAMSHHS-UGFHNGPFSA-N -1 3 392.423 0.819 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573392055 947939581 /nfs/dbraw/zinc/93/95/81/947939581.db2.gz QCTQPHBRUXVYGZ-SWLSCSKDSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573392055 947939586 /nfs/dbraw/zinc/93/95/86/947939586.db2.gz QCTQPHBRUXVYGZ-SWLSCSKDSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573652468 947939659 /nfs/dbraw/zinc/93/96/59/947939659.db2.gz CLADISVMIXUOEZ-AAEUAGOBSA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573392054 947940584 /nfs/dbraw/zinc/94/05/84/947940584.db2.gz QCTQPHBRUXVYGZ-IUODEOHRSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573392054 947940591 /nfs/dbraw/zinc/94/05/91/947940591.db2.gz QCTQPHBRUXVYGZ-IUODEOHRSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573392167 947942405 /nfs/dbraw/zinc/94/24/05/947942405.db2.gz USDAFOYZLVSCDT-CQSZACIVSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573392167 947942413 /nfs/dbraw/zinc/94/24/13/947942413.db2.gz USDAFOYZLVSCDT-CQSZACIVSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573392318 947946437 /nfs/dbraw/zinc/94/64/37/947946437.db2.gz ZTHLSZIIZUSOLP-HNNXBMFYSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573392318 947946444 /nfs/dbraw/zinc/94/64/44/947946444.db2.gz ZTHLSZIIZUSOLP-HNNXBMFYSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@](C)(CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573392353 947946615 /nfs/dbraw/zinc/94/66/15/947946615.db2.gz ACUCHJWTTNUMLL-GOSISDBHSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@](C)(CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573392353 947946622 /nfs/dbraw/zinc/94/66/22/947946622.db2.gz ACUCHJWTTNUMLL-GOSISDBHSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573392407 947947089 /nfs/dbraw/zinc/94/70/89/947947089.db2.gz AQCXGODNFKRLQT-OCCSQVGLSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573392407 947947099 /nfs/dbraw/zinc/94/70/99/947947099.db2.gz AQCXGODNFKRLQT-OCCSQVGLSA-N -1 3 386.460 0.697 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573652885 947948637 /nfs/dbraw/zinc/94/86/37/947948637.db2.gz HYJYAPHPLBNFKS-WOPDTQHZSA-N -1 3 386.460 0.397 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573652885 947948643 /nfs/dbraw/zinc/94/86/43/947948643.db2.gz HYJYAPHPLBNFKS-WOPDTQHZSA-N -1 3 386.460 0.397 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(C)(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573392832 947950690 /nfs/dbraw/zinc/95/06/90/947950690.db2.gz GBNHZTDXZMWVBC-UHFFFAOYSA-N -1 3 392.489 0.903 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392692 947950724 /nfs/dbraw/zinc/95/07/24/947950724.db2.gz FBNLLKHHAXABEG-GXTWGEPZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392692 947950730 /nfs/dbraw/zinc/95/07/30/947950730.db2.gz FBNLLKHHAXABEG-GXTWGEPZSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccc1 ZINC001573653137 947950833 /nfs/dbraw/zinc/95/08/33/947950833.db2.gz JJGOSNNARCIMCT-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccc1 ZINC001573653137 947950842 /nfs/dbraw/zinc/95/08/42/947950842.db2.gz JJGOSNNARCIMCT-XHDPSFHLSA-N -1 3 382.428 0.882 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000826326029 947952048 /nfs/dbraw/zinc/95/20/48/947952048.db2.gz WDQYOBUBNKAQDD-ZBFHGGJFSA-N -1 3 398.427 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CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001573393409 947956602 /nfs/dbraw/zinc/95/66/02/947956602.db2.gz LQZOHMMJIANDLK-GXFFZTMASA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001573393409 947956610 /nfs/dbraw/zinc/95/66/10/947956610.db2.gz LQZOHMMJIANDLK-GXFFZTMASA-N -1 3 390.423 0.671 20 0 GCADHM Cc1nc2n(n1)CCN([C@@H]1CCCN(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000826329338 947959139 /nfs/dbraw/zinc/95/91/39/947959139.db2.gz ZBFDHRJYUAHIGO-OAHLLOKOSA-N -1 3 379.428 0.778 20 0 GCADHM Cc1nc2n(n1)CCN([C@@H]1CCCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000826329338 947959144 /nfs/dbraw/zinc/95/91/44/947959144.db2.gz ZBFDHRJYUAHIGO-OAHLLOKOSA-N -1 3 379.428 0.778 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573394037 947963208 /nfs/dbraw/zinc/96/32/08/947963208.db2.gz RUICRZUKFQXZHA-SWLSCSKDSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 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3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573403849 948015067 /nfs/dbraw/zinc/01/50/67/948015067.db2.gz OYHACXPDZBMGFR-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573403849 948015075 /nfs/dbraw/zinc/01/50/75/948015075.db2.gz OYHACXPDZBMGFR-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)[C@H]1C ZINC001573404083 948015250 /nfs/dbraw/zinc/01/52/50/948015250.db2.gz PPGDQBAHYIEDSH-WFASDCNBSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)[C@H]1C ZINC001573404083 948015257 /nfs/dbraw/zinc/01/52/57/948015257.db2.gz PPGDQBAHYIEDSH-WFASDCNBSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1)[C@H]1CCCO1 ZINC001573660100 948018041 /nfs/dbraw/zinc/01/80/41/948018041.db2.gz YSCZSZLGFCJJHD-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1)[C@H]1CCCO1 ZINC001573660100 948018050 /nfs/dbraw/zinc/01/80/50/948018050.db2.gz YSCZSZLGFCJJHD-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573660098 948018140 /nfs/dbraw/zinc/01/81/40/948018140.db2.gz YSCZSZLGFCJJHD-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1)[C@@H]1CCCO1 ZINC001573660098 948018149 /nfs/dbraw/zinc/01/81/49/948018149.db2.gz YSCZSZLGFCJJHD-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573404383 948021012 /nfs/dbraw/zinc/02/10/12/948021012.db2.gz SVDDPUBUDMZMKW-NSHDSACASA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573404383 948021023 /nfs/dbraw/zinc/02/10/23/948021023.db2.gz SVDDPUBUDMZMKW-NSHDSACASA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573404323 948022640 /nfs/dbraw/zinc/02/26/40/948022640.db2.gz RXGYJKHSEYYKRZ-AWEZNQCLSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573404323 948022651 /nfs/dbraw/zinc/02/26/51/948022651.db2.gz RXGYJKHSEYYKRZ-AWEZNQCLSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573404429 948024781 /nfs/dbraw/zinc/02/47/81/948024781.db2.gz DTKZTIGJCLGDNJ-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573404429 948024789 /nfs/dbraw/zinc/02/47/89/948024789.db2.gz DTKZTIGJCLGDNJ-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)[C@H]1C ZINC001573404586 948029623 /nfs/dbraw/zinc/02/96/23/948029623.db2.gz VHQWESHOINJSDH-IINYFYTJSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)[C@H]1C ZINC001573404586 948029629 /nfs/dbraw/zinc/02/96/29/948029629.db2.gz VHQWESHOINJSDH-IINYFYTJSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404820 948033163 /nfs/dbraw/zinc/03/31/63/948033163.db2.gz WRJOLRLVYFTWTD-NSHDSACASA-N -1 3 378.462 0.195 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573404862 948033276 /nfs/dbraw/zinc/03/32/76/948033276.db2.gz XCLGXLUDOIWLNT-WCQYABFASA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573404862 948033284 /nfs/dbraw/zinc/03/32/84/948033284.db2.gz XCLGXLUDOIWLNT-WCQYABFASA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)NCCN(Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001573404964 948034746 /nfs/dbraw/zinc/03/47/46/948034746.db2.gz MDMOHDHHIPASDP-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573663304 948035615 /nfs/dbraw/zinc/03/56/15/948035615.db2.gz KZGFGKZQTXPCMC-RTXFEEFZSA-N -1 3 384.444 0.151 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573663304 948035626 /nfs/dbraw/zinc/03/56/26/948035626.db2.gz KZGFGKZQTXPCMC-RTXFEEFZSA-N -1 3 384.444 0.151 20 0 GCADHM C[C@H](C(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573663451 948037687 /nfs/dbraw/zinc/03/76/87/948037687.db2.gz LUOWRPZOHLYDAP-GRZMOONWSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@H](C(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573663451 948037696 /nfs/dbraw/zinc/03/76/96/948037696.db2.gz LUOWRPZOHLYDAP-GRZMOONWSA-N -1 3 386.395 0.560 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573405215 948039440 /nfs/dbraw/zinc/03/94/40/948039440.db2.gz NAKSSDCTNJINQE-HNNXBMFYSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573405215 948039448 /nfs/dbraw/zinc/03/94/48/948039448.db2.gz NAKSSDCTNJINQE-HNNXBMFYSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573405190 948039500 /nfs/dbraw/zinc/03/95/00/948039500.db2.gz ZYLMNMRLZZRVPL-KBPBESRZSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573405190 948039508 /nfs/dbraw/zinc/03/95/08/948039508.db2.gz ZYLMNMRLZZRVPL-KBPBESRZSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573405850 948049438 /nfs/dbraw/zinc/04/94/38/948049438.db2.gz XOYGLQWHFIJTEZ-CYBMUJFWSA-N -1 3 389.435 0.959 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573405850 948049446 /nfs/dbraw/zinc/04/94/46/948049446.db2.gz XOYGLQWHFIJTEZ-CYBMUJFWSA-N -1 3 389.435 0.959 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573405853 948049601 /nfs/dbraw/zinc/04/96/01/948049601.db2.gz XOZRXFYKNPKZKJ-ZDUSSCGKSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573405853 948049610 /nfs/dbraw/zinc/04/96/10/948049610.db2.gz XOZRXFYKNPKZKJ-ZDUSSCGKSA-N -1 3 375.408 0.175 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573664331 948051117 /nfs/dbraw/zinc/05/11/17/948051117.db2.gz TWABDMOPOZJJFM-YGRLFVJLSA-N -1 3 386.460 0.302 20 0 GCADHM C[C@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573664377 948054164 /nfs/dbraw/zinc/05/41/64/948054164.db2.gz UXEJRPVASWVBCZ-XSRFYTQQSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573664377 948054175 /nfs/dbraw/zinc/05/41/75/948054175.db2.gz UXEJRPVASWVBCZ-XSRFYTQQSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573664513 948055630 /nfs/dbraw/zinc/05/56/30/948055630.db2.gz FFHUXWPQLSXRDB-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573664513 948055639 /nfs/dbraw/zinc/05/56/39/948055639.db2.gz FFHUXWPQLSXRDB-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573406605 948056408 /nfs/dbraw/zinc/05/64/08/948056408.db2.gz NMVLTBYCPWZPMQ-ZDUSSCGKSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573406783 948058999 /nfs/dbraw/zinc/05/89/99/948058999.db2.gz SUNWRPBELTVYJY-ZDUSSCGKSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573408653 948066947 /nfs/dbraw/zinc/06/69/47/948066947.db2.gz KEFLYNHXSJIBBY-SNPRPXQTSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573408653 948066956 /nfs/dbraw/zinc/06/69/56/948066956.db2.gz KEFLYNHXSJIBBY-SNPRPXQTSA-N -1 3 384.444 0.274 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573665439 948071974 /nfs/dbraw/zinc/07/19/74/948071974.db2.gz KURNOODIMRIBIR-DGCLKSJQSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573665439 948071984 /nfs/dbraw/zinc/07/19/84/948071984.db2.gz KURNOODIMRIBIR-DGCLKSJQSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573665809 948077699 /nfs/dbraw/zinc/07/76/99/948077699.db2.gz NGCCTFAYQHUILM-NSHDSACASA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573665809 948077710 /nfs/dbraw/zinc/07/77/10/948077710.db2.gz NGCCTFAYQHUILM-NSHDSACASA-N -1 3 386.460 0.398 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573413388 948081483 /nfs/dbraw/zinc/08/14/83/948081483.db2.gz CUKVRTKUAOHZHZ-ZDUSSCGKSA-N -1 3 388.407 0.282 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573413388 948081489 /nfs/dbraw/zinc/08/14/89/948081489.db2.gz CUKVRTKUAOHZHZ-ZDUSSCGKSA-N -1 3 388.407 0.282 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573666223 948083406 /nfs/dbraw/zinc/08/34/06/948083406.db2.gz RGBIFSKPVFJUAP-CHWSQXEVSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573666223 948083415 /nfs/dbraw/zinc/08/34/15/948083415.db2.gz RGBIFSKPVFJUAP-CHWSQXEVSA-N -1 3 382.432 0.590 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001573414053 948088247 /nfs/dbraw/zinc/08/82/47/948088247.db2.gz GWWYJHBBFGWTOB-UHFFFAOYSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001573414053 948088256 /nfs/dbraw/zinc/08/82/56/948088256.db2.gz GWWYJHBBFGWTOB-UHFFFAOYSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N(CCN(C)c2ccc(-c3nnn[n-]3)nc2)C(C)C)C1 ZINC001573414149 948089812 /nfs/dbraw/zinc/08/98/12/948089812.db2.gz JTNNHTSFNSJRFL-UHFFFAOYSA-N -1 3 386.460 0.413 20 0 GCADHM CC(=O)N1CC(C(=O)N(CCN(C)c2ccc(-c3nn[n-]n3)nc2)C(C)C)C1 ZINC001573414149 948089821 /nfs/dbraw/zinc/08/98/21/948089821.db2.gz JTNNHTSFNSJRFL-UHFFFAOYSA-N -1 3 386.460 0.413 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573414414 948092597 /nfs/dbraw/zinc/09/25/97/948092597.db2.gz LTTJIPIKJNLTNW-ZDUSSCGKSA-N -1 3 387.419 0.521 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573414414 948092605 /nfs/dbraw/zinc/09/26/05/948092605.db2.gz LTTJIPIKJNLTNW-ZDUSSCGKSA-N -1 3 387.419 0.521 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3snc(C)c3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573414462 948093370 /nfs/dbraw/zinc/09/33/70/948093370.db2.gz MOZOJSJIUBEMMS-PRHODGIISA-N -1 3 390.473 0.511 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573667143 948093807 /nfs/dbraw/zinc/09/38/07/948093807.db2.gz YFWBTXNSIDJVKD-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573667143 948093817 /nfs/dbraw/zinc/09/38/17/948093817.db2.gz YFWBTXNSIDJVKD-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001573415175 948103197 /nfs/dbraw/zinc/10/31/97/948103197.db2.gz VRKCUYOCQKQLTD-GFCCVEGCSA-N -1 3 390.835 0.406 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001573415175 948103202 /nfs/dbraw/zinc/10/32/02/948103202.db2.gz VRKCUYOCQKQLTD-GFCCVEGCSA-N -1 3 390.835 0.406 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]2C)C1 ZINC001573415317 948105268 /nfs/dbraw/zinc/10/52/68/948105268.db2.gz XCRIYMUMOCLEPS-QMTHXVAHSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]2C)C1 ZINC001573415317 948105270 /nfs/dbraw/zinc/10/52/70/948105270.db2.gz XCRIYMUMOCLEPS-QMTHXVAHSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573415288 948105468 /nfs/dbraw/zinc/10/54/68/948105468.db2.gz RIDNIKXQICXNMX-VIFPVBQESA-N -1 3 376.396 0.138 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573415288 948105473 /nfs/dbraw/zinc/10/54/73/948105473.db2.gz RIDNIKXQICXNMX-VIFPVBQESA-N -1 3 376.396 0.138 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3nc(C)ccc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001573415306 948105981 /nfs/dbraw/zinc/10/59/81/948105981.db2.gz WYGWXXSQRSRYAF-FZMZJTMJSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3nc(C)ccc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001573415306 948105987 /nfs/dbraw/zinc/10/59/87/948105987.db2.gz WYGWXXSQRSRYAF-FZMZJTMJSA-N -1 3 384.444 0.450 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)n1cncn1 ZINC001573673367 948112979 /nfs/dbraw/zinc/11/29/79/948112979.db2.gz KRPNUICOSAMCAV-WCQYABFASA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)n1cncn1 ZINC001573673367 948112982 /nfs/dbraw/zinc/11/29/82/948112982.db2.gz KRPNUICOSAMCAV-WCQYABFASA-N -1 3 385.407 0.549 20 0 GCADHM Cn1cc(C(=O)C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826358087 948113110 /nfs/dbraw/zinc/11/31/10/948113110.db2.gz DENGCYJXYUICQJ-CQSZACIVSA-N -1 3 395.379 0.522 20 0 GCADHM Cn1cc(C(=O)C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826358087 948113116 /nfs/dbraw/zinc/11/31/16/948113116.db2.gz DENGCYJXYUICQJ-CQSZACIVSA-N -1 3 395.379 0.522 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CC2(C)C)C1 ZINC001573418251 948115747 /nfs/dbraw/zinc/11/57/47/948115747.db2.gz FQKWMRARFJRAQS-OAHLLOKOSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CC2(C)C)C1 ZINC001573418251 948115752 /nfs/dbraw/zinc/11/57/52/948115752.db2.gz FQKWMRARFJRAQS-OAHLLOKOSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)CC(C)C)C1 ZINC001573418548 948117265 /nfs/dbraw/zinc/11/72/65/948117265.db2.gz GWZFPVXVPLEEKV-OAHLLOKOSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)CC(C)C)C1 ZINC001573418548 948117268 /nfs/dbraw/zinc/11/72/68/948117268.db2.gz GWZFPVXVPLEEKV-OAHLLOKOSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573419070 948121765 /nfs/dbraw/zinc/12/17/65/948121765.db2.gz JPCABIPMBIITLI-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573419070 948121769 /nfs/dbraw/zinc/12/17/69/948121769.db2.gz JPCABIPMBIITLI-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@]2(C)CCN(c3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573419500 948123863 /nfs/dbraw/zinc/12/38/63/948123863.db2.gz NBAKRKCGWQVTOC-MRXNPFEDSA-N -1 3 390.473 0.195 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573419629 948125238 /nfs/dbraw/zinc/12/52/38/948125238.db2.gz NWIUPYQYFKCHJR-BDAKNGLRSA-N -1 3 392.489 0.805 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573419647 948125717 /nfs/dbraw/zinc/12/57/17/948125717.db2.gz OHSQOJMFDHYJTP-LLVKDONJSA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573419647 948125721 /nfs/dbraw/zinc/12/57/21/948125721.db2.gz OHSQOJMFDHYJTP-LLVKDONJSA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573419630 948125766 /nfs/dbraw/zinc/12/57/66/948125766.db2.gz NWIUPYQYFKCHJR-DTWKUNHWSA-N -1 3 392.489 0.805 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573419992 948132361 /nfs/dbraw/zinc/13/23/61/948132361.db2.gz XTUDQYCVMFHSDY-ZJUUUORDSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573419992 948132365 /nfs/dbraw/zinc/13/23/65/948132365.db2.gz XTUDQYCVMFHSDY-ZJUUUORDSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573419989 948132780 /nfs/dbraw/zinc/13/27/80/948132780.db2.gz XTUDQYCVMFHSDY-NXEZZACHSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573419989 948132785 /nfs/dbraw/zinc/13/27/85/948132785.db2.gz XTUDQYCVMFHSDY-NXEZZACHSA-N -1 3 390.423 0.574 20 0 GCADHM Cn1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nn1 ZINC000826361684 948134187 /nfs/dbraw/zinc/13/41/87/948134187.db2.gz IZWWWYDWVCIQSI-UHFFFAOYSA-N -1 3 388.335 0.493 20 0 GCADHM Cn1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nn1 ZINC000826361684 948134191 /nfs/dbraw/zinc/13/41/91/948134191.db2.gz IZWWWYDWVCIQSI-UHFFFAOYSA-N -1 3 388.335 0.493 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)[C@@H](C)C2)C1 ZINC001573420236 948134247 /nfs/dbraw/zinc/13/42/47/948134247.db2.gz ZOISSFQJNPUXFW-XHDPSFHLSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)[C@@H](C)C2)C1 ZINC001573420236 948134252 /nfs/dbraw/zinc/13/42/52/948134252.db2.gz ZOISSFQJNPUXFW-XHDPSFHLSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)[C@@H](C)C2)C1 ZINC001573420235 948134269 /nfs/dbraw/zinc/13/42/69/948134269.db2.gz ZOISSFQJNPUXFW-NHYWBVRUSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)[C@@H](C)C2)C1 ZINC001573420235 948134275 /nfs/dbraw/zinc/13/42/75/948134275.db2.gz ZOISSFQJNPUXFW-NHYWBVRUSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3nc(C)ccc3-c3nnn[n-]3)CCC2)C1 ZINC001573421075 948135744 /nfs/dbraw/zinc/13/57/44/948135744.db2.gz BZYQRJBQKCVRMS-UHFFFAOYSA-N -1 3 384.444 0.499 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3nc(C)ccc3-c3nn[n-]n3)CCC2)C1 ZINC001573421075 948135761 /nfs/dbraw/zinc/13/57/61/948135761.db2.gz BZYQRJBQKCVRMS-UHFFFAOYSA-N -1 3 384.444 0.499 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CCCC2)C1 ZINC001573421489 948137790 /nfs/dbraw/zinc/13/77/90/948137790.db2.gz GNRYJZXAMOYOOJ-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CCCC2)C1 ZINC001573421489 948137796 /nfs/dbraw/zinc/13/77/96/948137796.db2.gz GNRYJZXAMOYOOJ-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573421521 948140553 /nfs/dbraw/zinc/14/05/53/948140553.db2.gz GSRPDJSQRCJZBS-OAHLLOKOSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573421521 948140557 /nfs/dbraw/zinc/14/05/57/948140557.db2.gz GSRPDJSQRCJZBS-OAHLLOKOSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573677953 948145156 /nfs/dbraw/zinc/14/51/56/948145156.db2.gz BOGCEJBCVIKLHG-ZYHUDNBSSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573677953 948145159 /nfs/dbraw/zinc/14/51/59/948145159.db2.gz BOGCEJBCVIKLHG-ZYHUDNBSSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573677956 948145548 /nfs/dbraw/zinc/14/55/48/948145548.db2.gz ZJVNBWNPRWXZOE-NXEZZACHSA-N -1 3 382.421 0.134 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573677956 948145558 /nfs/dbraw/zinc/14/55/58/948145558.db2.gz ZJVNBWNPRWXZOE-NXEZZACHSA-N -1 3 382.421 0.134 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573424271 948149538 /nfs/dbraw/zinc/14/95/38/948149538.db2.gz WTXIGZALNMECID-UHFFFAOYSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573424271 948149543 /nfs/dbraw/zinc/14/95/43/948149543.db2.gz WTXIGZALNMECID-UHFFFAOYSA-N -1 3 384.444 0.073 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573678318 948149571 /nfs/dbraw/zinc/14/95/71/948149571.db2.gz GRVPKDGTYNRNHE-QWRGUYRKSA-N -1 3 387.423 0.879 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573678318 948149577 /nfs/dbraw/zinc/14/95/77/948149577.db2.gz GRVPKDGTYNRNHE-QWRGUYRKSA-N -1 3 387.423 0.879 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C2CC2)C1 ZINC001573424388 948151272 /nfs/dbraw/zinc/15/12/72/948151272.db2.gz ZOAULPYCXOHGRD-HNNXBMFYSA-N -1 3 387.419 0.791 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)C1 ZINC001573424388 948151281 /nfs/dbraw/zinc/15/12/81/948151281.db2.gz ZOAULPYCXOHGRD-HNNXBMFYSA-N -1 3 387.419 0.791 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001573427213 948163416 /nfs/dbraw/zinc/16/34/16/948163416.db2.gz UOVDREZQZCZVML-QMTHXVAHSA-N -1 3 387.419 0.425 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001573427213 948163420 /nfs/dbraw/zinc/16/34/20/948163420.db2.gz UOVDREZQZCZVML-QMTHXVAHSA-N -1 3 387.419 0.425 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573428780 948167158 /nfs/dbraw/zinc/16/71/58/948167158.db2.gz BLQKNNQUFZWONO-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573428780 948167162 /nfs/dbraw/zinc/16/71/62/948167162.db2.gz BLQKNNQUFZWONO-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573428970 948168678 /nfs/dbraw/zinc/16/86/78/948168678.db2.gz FKUCNKISSMEETL-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573428970 948168683 /nfs/dbraw/zinc/16/86/83/948168683.db2.gz FKUCNKISSMEETL-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573429362 948169589 /nfs/dbraw/zinc/16/95/89/948169589.db2.gz HKXRUUQNAACHOW-GFCCVEGCSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573429362 948169598 /nfs/dbraw/zinc/16/95/98/948169598.db2.gz HKXRUUQNAACHOW-GFCCVEGCSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC[C@@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573429410 948171539 /nfs/dbraw/zinc/17/15/39/948171539.db2.gz IPGUGPVVBKMMGT-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC[C@@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573429410 948171542 /nfs/dbraw/zinc/17/15/42/948171542.db2.gz IPGUGPVVBKMMGT-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573679989 948172009 /nfs/dbraw/zinc/17/20/09/948172009.db2.gz NTLGDHXDAGEYCJ-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573679989 948172014 /nfs/dbraw/zinc/17/20/14/948172014.db2.gz NTLGDHXDAGEYCJ-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM CC(=O)N1CCC(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC001573431477 948179109 /nfs/dbraw/zinc/17/91/09/948179109.db2.gz WAHNJPYJCIATBY-UHFFFAOYSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001573431477 948179118 /nfs/dbraw/zinc/17/91/18/948179118.db2.gz WAHNJPYJCIATBY-UHFFFAOYSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573431566 948180525 /nfs/dbraw/zinc/18/05/25/948180525.db2.gz WZTNRFOOVPDGGO-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573431566 948180532 /nfs/dbraw/zinc/18/05/32/948180532.db2.gz WZTNRFOOVPDGGO-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CC1 ZINC001573431684 948181750 /nfs/dbraw/zinc/18/17/50/948181750.db2.gz YEKVOZAJAVSLKP-AWEZNQCLSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CC1 ZINC001573431684 948181757 /nfs/dbraw/zinc/18/17/57/948181757.db2.gz YEKVOZAJAVSLKP-AWEZNQCLSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)C1 ZINC001573432160 948185454 /nfs/dbraw/zinc/18/54/54/948185454.db2.gz FHHIQKIIAYVKFL-MRXNPFEDSA-N -1 3 375.458 0.654 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)C1 ZINC001573432160 948185461 /nfs/dbraw/zinc/18/54/61/948185461.db2.gz FHHIQKIIAYVKFL-MRXNPFEDSA-N -1 3 375.458 0.654 20 0 GCADHM C[C@@H](C(=O)NC[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1)n1cncn1 ZINC001573680875 948189716 /nfs/dbraw/zinc/18/97/16/948189716.db2.gz RDPVXPAMHKLYCX-ZANVPECISA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](C(=O)NC[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1)n1cncn1 ZINC001573680875 948189724 /nfs/dbraw/zinc/18/97/24/948189724.db2.gz RDPVXPAMHKLYCX-ZANVPECISA-N -1 3 386.395 0.560 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573432613 948190995 /nfs/dbraw/zinc/19/09/95/948190995.db2.gz HHRPXSJQYBRMGS-VOJFVSQTSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573432613 948190999 /nfs/dbraw/zinc/19/09/99/948190999.db2.gz HHRPXSJQYBRMGS-VOJFVSQTSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573680973 948191340 /nfs/dbraw/zinc/19/13/40/948191340.db2.gz TYLKHVCROMWXGD-BONVTDFDSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573680973 948191343 /nfs/dbraw/zinc/19/13/43/948191343.db2.gz TYLKHVCROMWXGD-BONVTDFDSA-N -1 3 387.419 0.221 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)c1ccco1 ZINC001573681054 948194147 /nfs/dbraw/zinc/19/41/47/948194147.db2.gz SCCUTOBBBXMUOF-GXSJLCMTSA-N -1 3 375.364 0.687 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC001573681054 948194152 /nfs/dbraw/zinc/19/41/52/948194152.db2.gz SCCUTOBBBXMUOF-GXSJLCMTSA-N -1 3 375.364 0.687 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432934 948195574 /nfs/dbraw/zinc/19/55/74/948195574.db2.gz ITWXWTXTCLNCJY-GOSISDBHSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432934 948195577 /nfs/dbraw/zinc/19/55/77/948195577.db2.gz ITWXWTXTCLNCJY-GOSISDBHSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573433097 948197118 /nfs/dbraw/zinc/19/71/18/948197118.db2.gz JDRHQXDVPOIYJL-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC([C@@H]2OCCC[C@@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573433097 948197127 /nfs/dbraw/zinc/19/71/27/948197127.db2.gz JDRHQXDVPOIYJL-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM NC(=O)CCC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000826390569 948198260 /nfs/dbraw/zinc/19/82/60/948198260.db2.gz DYYYYEUCOKNADX-UHFFFAOYSA-N -1 3 389.391 0.448 20 0 GCADHM NC(=O)CCC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826390569 948198263 /nfs/dbraw/zinc/19/82/63/948198263.db2.gz DYYYYEUCOKNADX-UHFFFAOYSA-N -1 3 389.391 0.448 20 0 GCADHM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826392869 948200130 /nfs/dbraw/zinc/20/01/30/948200130.db2.gz QEMDUTMATIZDSB-UHFFFAOYSA-N -1 3 382.384 0.383 20 0 GCADHM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826392869 948200134 /nfs/dbraw/zinc/20/01/34/948200134.db2.gz QEMDUTMATIZDSB-UHFFFAOYSA-N -1 3 382.384 0.383 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573681315 948200567 /nfs/dbraw/zinc/20/05/67/948200567.db2.gz VTJUCARPNSLWRU-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573681315 948200576 /nfs/dbraw/zinc/20/05/76/948200576.db2.gz VTJUCARPNSLWRU-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573433443 948200936 /nfs/dbraw/zinc/20/09/36/948200936.db2.gz LLVARWSXVPIQPZ-FXHACXQTSA-N -1 3 398.471 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573433443 948200944 /nfs/dbraw/zinc/20/09/44/948200944.db2.gz LLVARWSXVPIQPZ-FXHACXQTSA-N -1 3 398.471 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573433612 948202859 /nfs/dbraw/zinc/20/28/59/948202859.db2.gz MVEBFHHYQPWJCM-XIKOKIGWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573433612 948202868 /nfs/dbraw/zinc/20/28/68/948202868.db2.gz MVEBFHHYQPWJCM-XIKOKIGWSA-N -1 3 386.460 0.745 20 0 GCADHM NC(=O)c1cccc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826393675 948203408 /nfs/dbraw/zinc/20/34/08/948203408.db2.gz DDGZJMKMFDVZIJ-UHFFFAOYSA-N -1 3 394.399 0.110 20 0 GCADHM NC(=O)c1cccc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826393675 948203418 /nfs/dbraw/zinc/20/34/18/948203418.db2.gz DDGZJMKMFDVZIJ-UHFFFAOYSA-N -1 3 394.399 0.110 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccsc1 ZINC001573681687 948209973 /nfs/dbraw/zinc/20/99/73/948209973.db2.gz ZAKZXKCAMFXFIX-SKDRFNHKSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccsc1 ZINC001573681687 948209981 /nfs/dbraw/zinc/20/99/81/948209981.db2.gz ZAKZXKCAMFXFIX-SKDRFNHKSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573434548 948215795 /nfs/dbraw/zinc/21/57/95/948215795.db2.gz QIXPIRGTEIXXKK-XIKOKIGWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573434548 948215800 /nfs/dbraw/zinc/21/58/00/948215800.db2.gz QIXPIRGTEIXXKK-XIKOKIGWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573689951 948221457 /nfs/dbraw/zinc/22/14/57/948221457.db2.gz AWXWAMRRZWJJDU-WDEREUQCSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573689951 948221470 /nfs/dbraw/zinc/22/14/70/948221470.db2.gz AWXWAMRRZWJJDU-WDEREUQCSA-N -1 3 377.449 0.426 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573435290 948228993 /nfs/dbraw/zinc/22/89/93/948228993.db2.gz VJEQBIKIBHZFMA-FZKQIMNGSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573435290 948228998 /nfs/dbraw/zinc/22/89/98/948228998.db2.gz VJEQBIKIBHZFMA-FZKQIMNGSA-N -1 3 384.444 0.533 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CC(F)(F)C1 ZINC000826405416 948232438 /nfs/dbraw/zinc/23/24/38/948232438.db2.gz FAOGZKUVQNSYDP-NSHDSACASA-N -1 3 391.338 0.549 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CC(F)(F)C1 ZINC000826405416 948232448 /nfs/dbraw/zinc/23/24/48/948232448.db2.gz FAOGZKUVQNSYDP-NSHDSACASA-N -1 3 391.338 0.549 20 0 GCADHM CC(=O)N1CCC([C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)CC1 ZINC001573435693 948232902 /nfs/dbraw/zinc/23/29/02/948232902.db2.gz ZNMCUXNMTXYHPO-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC([C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)CC1 ZINC001573435693 948232913 /nfs/dbraw/zinc/23/29/13/948232913.db2.gz ZNMCUXNMTXYHPO-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573435702 948233791 /nfs/dbraw/zinc/23/37/91/948233791.db2.gz ZQEGBFRBESOOHB-LJQANCHMSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573435702 948233800 /nfs/dbraw/zinc/23/38/00/948233800.db2.gz ZQEGBFRBESOOHB-LJQANCHMSA-N -1 3 383.456 0.426 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573438427 948235335 /nfs/dbraw/zinc/23/53/35/948235335.db2.gz AEZIHMNABBQKLR-ZIAGYGMSSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573438427 948235343 /nfs/dbraw/zinc/23/53/43/948235343.db2.gz AEZIHMNABBQKLR-ZIAGYGMSSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CC1 ZINC001573691132 948237576 /nfs/dbraw/zinc/23/75/76/948237576.db2.gz HQQHSGLBVMPPMJ-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CC1 ZINC001573691132 948237587 /nfs/dbraw/zinc/23/75/87/948237587.db2.gz HQQHSGLBVMPPMJ-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573438560 948237609 /nfs/dbraw/zinc/23/76/09/948237609.db2.gz BPWFTKLZXVBXLK-GJZGRUSLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573438560 948237621 /nfs/dbraw/zinc/23/76/21/948237621.db2.gz BPWFTKLZXVBXLK-GJZGRUSLSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cccnc1 ZINC001573691447 948243328 /nfs/dbraw/zinc/24/33/28/948243328.db2.gz IRTOVKYGRSBEHY-LLVKDONJSA-N -1 3 380.412 0.772 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cccnc1 ZINC001573691447 948243338 /nfs/dbraw/zinc/24/33/38/948243338.db2.gz IRTOVKYGRSBEHY-LLVKDONJSA-N -1 3 380.412 0.772 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001573691445 948243699 /nfs/dbraw/zinc/24/36/99/948243699.db2.gz IRDLUUOEGCNLDU-WDEREUQCSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001573691445 948243707 /nfs/dbraw/zinc/24/37/07/948243707.db2.gz IRDLUUOEGCNLDU-WDEREUQCSA-N -1 3 387.400 0.141 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573439571 948245795 /nfs/dbraw/zinc/24/57/95/948245795.db2.gz MVUDOXBUBRFBON-AWEZNQCLSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573439571 948245805 /nfs/dbraw/zinc/24/58/05/948245805.db2.gz MVUDOXBUBRFBON-AWEZNQCLSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573439387 948246090 /nfs/dbraw/zinc/24/60/90/948246090.db2.gz LKUQZTJHFBPKMA-UKRRQHHQSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573439387 948246100 /nfs/dbraw/zinc/24/61/00/948246100.db2.gz LKUQZTJHFBPKMA-UKRRQHHQSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCC1)n1cncn1 ZINC001573691817 948247026 /nfs/dbraw/zinc/24/70/26/948247026.db2.gz JBLVURXVQQILTM-JTQLQIEISA-N -1 3 386.395 0.704 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCC1)n1cncn1 ZINC001573691817 948247035 /nfs/dbraw/zinc/24/70/35/948247035.db2.gz JBLVURXVQQILTM-JTQLQIEISA-N -1 3 386.395 0.704 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573439814 948253478 /nfs/dbraw/zinc/25/34/78/948253478.db2.gz SSNIQISLUPRYFB-LBPRGKRZSA-N -1 3 392.489 0.760 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1ccc(N2CCOC2=O)cc1 ZINC000826413750 948253755 /nfs/dbraw/zinc/25/37/55/948253755.db2.gz QAUCTTLLIFGONG-UHFFFAOYSA-N -1 3 394.395 0.947 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1ccc(N2CCOC2=O)cc1 ZINC000826413750 948253764 /nfs/dbraw/zinc/25/37/64/948253764.db2.gz QAUCTTLLIFGONG-UHFFFAOYSA-N -1 3 394.395 0.947 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573439877 948255637 /nfs/dbraw/zinc/25/56/37/948255637.db2.gz VIJBYCQSKZKUQU-IUODEOHRSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573439877 948255645 /nfs/dbraw/zinc/25/56/45/948255645.db2.gz VIJBYCQSKZKUQU-IUODEOHRSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573439876 948255891 /nfs/dbraw/zinc/25/58/91/948255891.db2.gz VIJBYCQSKZKUQU-DOMZBBRYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573439876 948255900 /nfs/dbraw/zinc/25/59/00/948255900.db2.gz VIJBYCQSKZKUQU-DOMZBBRYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573440051 948257634 /nfs/dbraw/zinc/25/76/34/948257634.db2.gz YZEPJQBMNGRSOJ-CABCVRRESA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573440051 948257640 /nfs/dbraw/zinc/25/76/40/948257640.db2.gz YZEPJQBMNGRSOJ-CABCVRRESA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@H](OCC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001573440002 948257658 /nfs/dbraw/zinc/25/76/58/948257658.db2.gz YBEOZICVCFJXTM-AWEZNQCLSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CC[C@H](OCC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573440002 948257664 /nfs/dbraw/zinc/25/76/64/948257664.db2.gz YBEOZICVCFJXTM-AWEZNQCLSA-N -1 3 387.444 0.684 20 0 GCADHM O=C(COC(=O)CN1CCOCC1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826415715 948257649 /nfs/dbraw/zinc/25/76/49/948257649.db2.gz PJCIRKHIQGAQNN-UHFFFAOYSA-N -1 3 380.792 0.334 20 0 GCADHM O=C(COC(=O)CN1CCOCC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826415715 948257655 /nfs/dbraw/zinc/25/76/55/948257655.db2.gz PJCIRKHIQGAQNN-UHFFFAOYSA-N -1 3 380.792 0.334 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573440053 948258787 /nfs/dbraw/zinc/25/87/87/948258787.db2.gz YZEPJQBMNGRSOJ-GJZGRUSLSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573440053 948258799 /nfs/dbraw/zinc/25/87/99/948258799.db2.gz YZEPJQBMNGRSOJ-GJZGRUSLSA-N -1 3 384.444 0.533 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000826417237 948259456 /nfs/dbraw/zinc/25/94/56/948259456.db2.gz JONPUCXJZSSMQB-HNNXBMFYSA-N -1 3 382.355 0.916 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CC1 ZINC001573692531 948267565 /nfs/dbraw/zinc/26/75/65/948267565.db2.gz PQSSPCDGNJISDL-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CC1 ZINC001573692531 948267574 /nfs/dbraw/zinc/26/75/74/948267574.db2.gz PQSSPCDGNJISDL-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573441248 948268312 /nfs/dbraw/zinc/26/83/12/948268312.db2.gz GETDNGZJNMYBEX-CYBMUJFWSA-N -1 3 390.423 0.720 20 0 GCADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573441248 948268319 /nfs/dbraw/zinc/26/83/19/948268319.db2.gz GETDNGZJNMYBEX-CYBMUJFWSA-N -1 3 390.423 0.720 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2cccc(F)c2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573692946 948273682 /nfs/dbraw/zinc/27/36/82/948273682.db2.gz TWBJUAKLFDTZFE-ZYHUDNBSSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2cccc(F)c2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573692946 948273692 /nfs/dbraw/zinc/27/36/92/948273692.db2.gz TWBJUAKLFDTZFE-ZYHUDNBSSA-N -1 3 387.419 0.981 20 0 GCADHM O=C(CNC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCOCC1 ZINC000826432467 948286146 /nfs/dbraw/zinc/28/61/46/948286146.db2.gz BQRYBVRRGVWZFH-UHFFFAOYSA-N -1 3 399.333 0.866 20 0 GCADHM O=C(CNC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCOCC1 ZINC000826432467 948286153 /nfs/dbraw/zinc/28/61/53/948286153.db2.gz BQRYBVRRGVWZFH-UHFFFAOYSA-N -1 3 399.333 0.866 20 0 GCADHM O=C(CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCOCC1 ZINC000826433048 948286830 /nfs/dbraw/zinc/28/68/30/948286830.db2.gz SOSPSULOZGYCFR-UHFFFAOYSA-N -1 3 397.342 0.448 20 0 GCADHM O=C(CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCOCC1 ZINC000826433048 948286840 /nfs/dbraw/zinc/28/68/40/948286840.db2.gz SOSPSULOZGYCFR-UHFFFAOYSA-N -1 3 397.342 0.448 20 0 GCADHM C[C@H](C(=O)NC[C@]1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C1CC1 ZINC001573693824 948289787 /nfs/dbraw/zinc/28/97/87/948289787.db2.gz UJHCSVAGPNZDHC-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@]1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C1CC1 ZINC001573693824 948289796 /nfs/dbraw/zinc/28/97/96/948289796.db2.gz UJHCSVAGPNZDHC-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cccc1 ZINC001573693830 948290442 /nfs/dbraw/zinc/29/04/42/948290442.db2.gz UJIKYZFWLXRCRI-CMPLNLGQSA-N -1 3 390.835 0.867 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cccc1 ZINC001573693830 948290447 /nfs/dbraw/zinc/29/04/47/948290447.db2.gz UJIKYZFWLXRCRI-CMPLNLGQSA-N -1 3 390.835 0.867 20 0 GCADHM CC(=O)N1CCC[C@@H](n2cc(CNc3ncc(-c4nnn[n-]4)cc3F)nn2)C1 ZINC001573442476 948293345 /nfs/dbraw/zinc/29/33/45/948293345.db2.gz WLNUOFKSYLIKAN-CYBMUJFWSA-N -1 3 386.395 0.788 20 0 GCADHM CC(=O)N1CCC[C@@H](n2cc(CNc3ncc(-c4nn[n-]n4)cc3F)nn2)C1 ZINC001573442476 948293352 /nfs/dbraw/zinc/29/33/52/948293352.db2.gz WLNUOFKSYLIKAN-CYBMUJFWSA-N -1 3 386.395 0.788 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573694295 948293921 /nfs/dbraw/zinc/29/39/21/948293921.db2.gz CEEPZHPZDYXPSC-LKFCYVNXSA-N -1 3 385.350 0.518 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573694295 948293929 /nfs/dbraw/zinc/29/39/29/948293929.db2.gz CEEPZHPZDYXPSC-LKFCYVNXSA-N -1 3 385.350 0.518 20 0 GCADHM CC(=O)N1CCC[C@H](n2cc(CNc3nc(C)ccc3-c3nnn[n-]3)nn2)C1 ZINC001573442469 948294500 /nfs/dbraw/zinc/29/45/00/948294500.db2.gz WKNCOBIKRUIKQG-AWEZNQCLSA-N -1 3 382.432 0.957 20 0 GCADHM CC(=O)N1CCC[C@H](n2cc(CNc3nc(C)ccc3-c3nn[n-]n3)nn2)C1 ZINC001573442469 948294508 /nfs/dbraw/zinc/29/45/08/948294508.db2.gz WKNCOBIKRUIKQG-AWEZNQCLSA-N -1 3 382.432 0.957 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc2c1OCO2 ZINC000826438842 948295354 /nfs/dbraw/zinc/29/53/54/948295354.db2.gz SOHWKZCCWMZTFT-UHFFFAOYSA-N -1 3 396.363 0.729 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccs1 ZINC001573695162 948303427 /nfs/dbraw/zinc/30/34/27/948303427.db2.gz XBJBFGOIHXGQRE-NXEZZACHSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccs1 ZINC001573695162 948303436 /nfs/dbraw/zinc/30/34/36/948303436.db2.gz XBJBFGOIHXGQRE-NXEZZACHSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCCC1)n1cncn1 ZINC001573695522 948305698 /nfs/dbraw/zinc/30/56/98/948305698.db2.gz GQASNFOCQXNGBS-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCCC1)n1cncn1 ZINC001573695522 948305704 /nfs/dbraw/zinc/30/57/04/948305704.db2.gz GQASNFOCQXNGBS-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573443467 948308783 /nfs/dbraw/zinc/30/87/83/948308783.db2.gz OASLFOXGWKTSCM-CMPLNLGQSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573443467 948308788 /nfs/dbraw/zinc/30/87/88/948308788.db2.gz OASLFOXGWKTSCM-CMPLNLGQSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573444363 948312916 /nfs/dbraw/zinc/31/29/16/948312916.db2.gz SPHHFCZDWBCJAM-GXTWGEPZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573444363 948312921 /nfs/dbraw/zinc/31/29/21/948312921.db2.gz SPHHFCZDWBCJAM-GXTWGEPZSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1)n1cccn1 ZINC001573695957 948314771 /nfs/dbraw/zinc/31/47/71/948314771.db2.gz ZBZDBZKUSHCPRH-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1)n1cccn1 ZINC001573695957 948314781 /nfs/dbraw/zinc/31/47/81/948314781.db2.gz ZBZDBZKUSHCPRH-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)C(F)(F)F ZINC001573696110 948315904 /nfs/dbraw/zinc/31/59/04/948315904.db2.gz LGDSRGOWLYPENN-MRVPVSSYSA-N -1 3 390.391 0.790 20 0 GCADHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826451539 948318692 /nfs/dbraw/zinc/31/86/92/948318692.db2.gz KZVFFUANBMVQHJ-UHFFFAOYSA-N -1 3 389.397 0.693 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573696268 948320081 /nfs/dbraw/zinc/32/00/81/948320081.db2.gz MUMHSLNZSKYWKP-SCLBCKFNSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573696268 948320087 /nfs/dbraw/zinc/32/00/87/948320087.db2.gz MUMHSLNZSKYWKP-SCLBCKFNSA-N -1 3 382.428 0.382 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573445100 948321382 /nfs/dbraw/zinc/32/13/82/948321382.db2.gz YFNGLGQXCPJJCP-LBPRGKRZSA-N -1 3 392.489 0.443 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1ccco1 ZINC001573696277 948321819 /nfs/dbraw/zinc/32/18/19/948321819.db2.gz NEUBYKLWCWZBNL-KZULUSFZSA-N -1 3 383.412 0.716 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1ccco1 ZINC001573696277 948321828 /nfs/dbraw/zinc/32/18/28/948321828.db2.gz NEUBYKLWCWZBNL-KZULUSFZSA-N -1 3 383.412 0.716 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573445275 948325548 /nfs/dbraw/zinc/32/55/48/948325548.db2.gz ZGVABUIWYFIXHO-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573445275 948325555 /nfs/dbraw/zinc/32/55/55/948325555.db2.gz ZGVABUIWYFIXHO-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000826456578 948330453 /nfs/dbraw/zinc/33/04/53/948330453.db2.gz MOYIRHJNYISNIY-CJNGLKHVSA-N -1 3 392.441 0.725 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000826456578 948330460 /nfs/dbraw/zinc/33/04/60/948330460.db2.gz MOYIRHJNYISNIY-CJNGLKHVSA-N -1 3 392.441 0.725 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573446619 948332794 /nfs/dbraw/zinc/33/27/94/948332794.db2.gz KPHVGEZFZZRZJM-XHDPSFHLSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573446619 948332802 /nfs/dbraw/zinc/33/28/02/948332802.db2.gz KPHVGEZFZZRZJM-XHDPSFHLSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573446626 948333172 /nfs/dbraw/zinc/33/31/72/948333172.db2.gz KTLCVHRUGIEOFP-HUUCEWRRSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573446626 948333180 /nfs/dbraw/zinc/33/31/80/948333180.db2.gz KTLCVHRUGIEOFP-HUUCEWRRSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1CCC1 ZINC001573696784 948335013 /nfs/dbraw/zinc/33/50/13/948335013.db2.gz XCDUSRHGKFKALU-VOJFVSQTSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1CCC1 ZINC001573696784 948335023 /nfs/dbraw/zinc/33/50/23/948335023.db2.gz XCDUSRHGKFKALU-VOJFVSQTSA-N -1 3 389.435 0.894 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573446858 948336026 /nfs/dbraw/zinc/33/60/26/948336026.db2.gz PUROECJJKXTGKT-JOYOIKCWSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573447070 948340381 /nfs/dbraw/zinc/34/03/81/948340381.db2.gz TWPYESZZEUDUJV-OAHLLOKOSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573447070 948340386 /nfs/dbraw/zinc/34/03/86/948340386.db2.gz TWPYESZZEUDUJV-OAHLLOKOSA-N -1 3 386.460 0.476 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573703366 948352893 /nfs/dbraw/zinc/35/28/93/948352893.db2.gz JTJMTROKXDBSDN-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573703366 948352899 /nfs/dbraw/zinc/35/28/99/948352899.db2.gz JTJMTROKXDBSDN-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573704046 948364976 /nfs/dbraw/zinc/36/49/76/948364976.db2.gz OMDNWQSSERQILM-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573704046 948364980 /nfs/dbraw/zinc/36/49/80/948364980.db2.gz OMDNWQSSERQILM-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM O=C(c1ccn(C(F)F)n1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826474812 948376183 /nfs/dbraw/zinc/37/61/83/948376183.db2.gz GRKIMLFBKCNZTJ-UHFFFAOYSA-N -1 3 375.343 0.816 20 0 GCADHM O=C(c1ccn(C(F)F)n1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826474812 948376188 /nfs/dbraw/zinc/37/61/88/948376188.db2.gz GRKIMLFBKCNZTJ-UHFFFAOYSA-N -1 3 375.343 0.816 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573704613 948377686 /nfs/dbraw/zinc/37/76/86/948377686.db2.gz TXUILWUICRXOIT-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573704613 948377697 /nfs/dbraw/zinc/37/76/97/948377697.db2.gz TXUILWUICRXOIT-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM O=C1NC[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476397 948381429 /nfs/dbraw/zinc/38/14/29/948381429.db2.gz GUDDJCAKRVNNJZ-CABCVRRESA-N -1 3 382.428 0.072 20 0 GCADHM O=C1NC[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476397 948381437 /nfs/dbraw/zinc/38/14/37/948381437.db2.gz GUDDJCAKRVNNJZ-CABCVRRESA-N -1 3 382.428 0.072 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573704812 948382141 /nfs/dbraw/zinc/38/21/41/948382141.db2.gz ATHJYAZNUVXFCI-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573704812 948382150 /nfs/dbraw/zinc/38/21/50/948382150.db2.gz ATHJYAZNUVXFCI-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM O=C(O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1CCNC(=O)C1 ZINC000826478400 948390445 /nfs/dbraw/zinc/39/04/45/948390445.db2.gz ARQDABALANMCQM-OCCSQVGLSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1CCNC(=O)C1 ZINC000826478400 948390453 /nfs/dbraw/zinc/39/04/53/948390453.db2.gz ARQDABALANMCQM-OCCSQVGLSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCC2(COC(=O)N2)CC1 ZINC000826481645 948394535 /nfs/dbraw/zinc/39/45/35/948394535.db2.gz DGAWUGWHCAOIRB-UHFFFAOYSA-N -1 3 387.400 0.530 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573705154 948394568 /nfs/dbraw/zinc/39/45/68/948394568.db2.gz GCTXOGDICDBEAK-BXUZGUMPSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573705154 948394576 /nfs/dbraw/zinc/39/45/76/948394576.db2.gz GCTXOGDICDBEAK-BXUZGUMPSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1)n1cncn1 ZINC001573705365 948397224 /nfs/dbraw/zinc/39/72/24/948397224.db2.gz HNVHQXCNKFCVEC-BXUZGUMPSA-N -1 3 385.407 0.549 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826490221 948404822 /nfs/dbraw/zinc/40/48/22/948404822.db2.gz NKIQLAMOFJLSRI-QWRGUYRKSA-N -1 3 398.876 0.662 20 0 GCADHM O=S1(=O)CCN(C2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC000826496730 948409818 /nfs/dbraw/zinc/40/98/18/948409818.db2.gz HFPKTNRWPAKRFF-UHFFFAOYSA-N -1 3 376.486 0.562 20 0 GCADHM O=S(=O)(N[C@H]1CS(=O)(=O)c2ccccc21)c1ccc(-c2nnn[n-]2)nc1 ZINC000826495787 948409938 /nfs/dbraw/zinc/40/99/38/948409938.db2.gz BDYWYJQTCAEDRW-LBPRGKRZSA-N -1 3 392.422 0.069 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573705968 948409977 /nfs/dbraw/zinc/40/99/77/948409977.db2.gz HWBIKFZFEDDDGU-QWHCGFSZSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573705968 948409979 /nfs/dbraw/zinc/40/99/79/948409979.db2.gz HWBIKFZFEDDDGU-QWHCGFSZSA-N -1 3 383.416 0.041 20 0 GCADHM O=S1(=O)CCN(C2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000826496606 948410214 /nfs/dbraw/zinc/41/02/14/948410214.db2.gz BHJDLRFJHCNXQM-UHFFFAOYSA-N -1 3 376.486 0.562 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573706026 948410930 /nfs/dbraw/zinc/41/09/30/948410930.db2.gz JFPPQCMDNKLCCM-OLZOCXBDSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573706026 948410938 /nfs/dbraw/zinc/41/09/38/948410938.db2.gz JFPPQCMDNKLCCM-OLZOCXBDSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573706292 948415790 /nfs/dbraw/zinc/41/57/90/948415790.db2.gz IBWVOZFWSSSNSC-GXTWGEPZSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573706292 948415797 /nfs/dbraw/zinc/41/57/97/948415797.db2.gz IBWVOZFWSSSNSC-GXTWGEPZSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)n1cccn1 ZINC001573706810 948424226 /nfs/dbraw/zinc/42/42/26/948424226.db2.gz LFMOWKVYFKXNRI-GXTWGEPZSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)n1cccn1 ZINC001573706810 948424229 /nfs/dbraw/zinc/42/42/29/948424229.db2.gz LFMOWKVYFKXNRI-GXTWGEPZSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C1CCC1 ZINC001573706788 948425055 /nfs/dbraw/zinc/42/50/55/948425055.db2.gz MAPNKTGWLNITNT-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C1CCC1 ZINC001573706788 948425061 /nfs/dbraw/zinc/42/50/61/948425061.db2.gz MAPNKTGWLNITNT-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573706966 948426566 /nfs/dbraw/zinc/42/65/66/948426566.db2.gz MPCRLLBRSRBPGH-DGCLKSJQSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)n1cncn1 ZINC001573706966 948426571 /nfs/dbraw/zinc/42/65/71/948426571.db2.gz MPCRLLBRSRBPGH-DGCLKSJQSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573707082 948428351 /nfs/dbraw/zinc/42/83/51/948428351.db2.gz MFNQGNWVZFSHQR-LLVKDONJSA-N -1 3 385.407 0.407 20 0 GCADHM CC(C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)=C1CCC1 ZINC001573707269 948431801 /nfs/dbraw/zinc/43/18/01/948431801.db2.gz OKGLORNVLPTSOT-AWEZNQCLSA-N -1 3 385.428 0.652 20 0 GCADHM CC(C(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)=C1CCC1 ZINC001573707269 948431809 /nfs/dbraw/zinc/43/18/09/948431809.db2.gz OKGLORNVLPTSOT-AWEZNQCLSA-N -1 3 385.428 0.652 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001573707766 948436684 /nfs/dbraw/zinc/43/66/84/948436684.db2.gz POKHBQGUBLTUJZ-ZIAGYGMSSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001573707766 948436688 /nfs/dbraw/zinc/43/66/88/948436688.db2.gz POKHBQGUBLTUJZ-ZIAGYGMSSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573708381 948449678 /nfs/dbraw/zinc/44/96/78/948449678.db2.gz UNHZQDHLZRUHGS-QWHCGFSZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573708381 948449682 /nfs/dbraw/zinc/44/96/82/948449682.db2.gz UNHZQDHLZRUHGS-QWHCGFSZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573708481 948451756 /nfs/dbraw/zinc/45/17/56/948451756.db2.gz VGBWMCFKGWBYQP-ZYHUDNBSSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573708481 948451760 /nfs/dbraw/zinc/45/17/60/948451760.db2.gz VGBWMCFKGWBYQP-ZYHUDNBSSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)c1ccco1 ZINC001573708657 948456520 /nfs/dbraw/zinc/45/65/20/948456520.db2.gz WVQSVWNIYAAVSG-OCCSQVGLSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)c1ccco1 ZINC001573708657 948456524 /nfs/dbraw/zinc/45/65/24/948456524.db2.gz WVQSVWNIYAAVSG-OCCSQVGLSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573708822 948459901 /nfs/dbraw/zinc/45/99/01/948459901.db2.gz YCJUOXCGKXJNJJ-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573708822 948459906 /nfs/dbraw/zinc/45/99/06/948459906.db2.gz YCJUOXCGKXJNJJ-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC001573708953 948463414 /nfs/dbraw/zinc/46/34/14/948463414.db2.gz ZNWLSWJUUIXGKE-OCCSQVGLSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC001573708953 948463415 /nfs/dbraw/zinc/46/34/15/948463415.db2.gz ZNWLSWJUUIXGKE-OCCSQVGLSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)[C@@H]1CCCO1 ZINC001573714704 948474793 /nfs/dbraw/zinc/47/47/93/948474793.db2.gz JBNSATVHQFNLTK-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)[C@@H]1CCCO1 ZINC001573714704 948474797 /nfs/dbraw/zinc/47/47/97/948474797.db2.gz JBNSATVHQFNLTK-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001194127554 948494173 /nfs/dbraw/zinc/49/41/73/948494173.db2.gz GHYFQEONUNYAAS-PHIMTYICSA-N -1 3 396.860 0.619 20 0 GCADHM CC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001194127554 948494181 /nfs/dbraw/zinc/49/41/81/948494181.db2.gz GHYFQEONUNYAAS-PHIMTYICSA-N -1 3 396.860 0.619 20 0 GCADHM CN1CCn2nc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)cc2S1(=O)=O ZINC001275489691 948498075 /nfs/dbraw/zinc/49/80/75/948498075.db2.gz BVDUPMMAHPVGIJ-UHFFFAOYSA-N -1 3 392.376 0.089 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1N1CCOCC1)n1cnc(-c2nnn[n-]2)n1 ZINC001573716271 948499247 /nfs/dbraw/zinc/49/92/47/948499247.db2.gz FBYYKZSPNUMCGI-RDBSUJKOSA-N -1 3 389.464 0.026 20 0 GCADHM C[C@H](C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573717133 948504594 /nfs/dbraw/zinc/50/45/94/948504594.db2.gz BVSSQODIAQYZQW-AWEZNQCLSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@H](C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573717133 948504597 /nfs/dbraw/zinc/50/45/97/948504597.db2.gz BVSSQODIAQYZQW-AWEZNQCLSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573717367 948505675 /nfs/dbraw/zinc/50/56/75/948505675.db2.gz LYGVCTBYLWUZIJ-UWVGGRQHSA-N -1 3 384.437 0.746 20 0 GCADHM C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573717367 948505680 /nfs/dbraw/zinc/50/56/80/948505680.db2.gz LYGVCTBYLWUZIJ-UWVGGRQHSA-N -1 3 384.437 0.746 20 0 GCADHM C[C@H](C(=O)NCCN1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573717473 948508535 /nfs/dbraw/zinc/50/85/35/948508535.db2.gz CTNLXJZYEHCOIJ-LBPRGKRZSA-N -1 3 385.476 0.695 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(F)F ZINC001573720144 948531190 /nfs/dbraw/zinc/53/11/90/948531190.db2.gz PCACFNCUIGAJOW-SECBINFHSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(F)F ZINC001573720144 948531193 /nfs/dbraw/zinc/53/11/93/948531193.db2.gz PCACFNCUIGAJOW-SECBINFHSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573728319 948561081 /nfs/dbraw/zinc/56/10/81/948561081.db2.gz CZQURYNLYZXWMY-CKYFFXLPSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573728319 948561085 /nfs/dbraw/zinc/56/10/85/948561085.db2.gz CZQURYNLYZXWMY-CKYFFXLPSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573729155 948567209 /nfs/dbraw/zinc/56/72/09/948567209.db2.gz HTFRWVQCXJDPDO-NLRBGTRBSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573729155 948567213 /nfs/dbraw/zinc/56/72/13/948567213.db2.gz HTFRWVQCXJDPDO-NLRBGTRBSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573729431 948568239 /nfs/dbraw/zinc/56/82/39/948568239.db2.gz SRWRAARLSRBPJK-FRRDWIJNSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573729431 948568245 /nfs/dbraw/zinc/56/82/45/948568245.db2.gz SRWRAARLSRBPJK-FRRDWIJNSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001573730007 948572959 /nfs/dbraw/zinc/57/29/59/948572959.db2.gz XOQFRJDHUSJDSO-UUIJZJDISA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001573730007 948572963 /nfs/dbraw/zinc/57/29/63/948572963.db2.gz XOQFRJDHUSJDSO-UUIJZJDISA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)n1cnc2c1ncnc2N ZINC001573730946 948586190 /nfs/dbraw/zinc/58/61/90/948586190.db2.gz TVWIZCPBXMVJKA-QMMMGPOBSA-N -1 3 382.363 0.605 20 0 GCADHM C[C@@H](C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)n1cnc2c1ncnc2N ZINC001573730946 948586197 /nfs/dbraw/zinc/58/61/97/948586197.db2.gz TVWIZCPBXMVJKA-QMMMGPOBSA-N -1 3 382.363 0.605 20 0 GCADHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001573731560 948593410 /nfs/dbraw/zinc/59/34/10/948593410.db2.gz GSUMWYJHNAKQSG-RYUDHWBXSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001573731560 948593418 /nfs/dbraw/zinc/59/34/18/948593418.db2.gz GSUMWYJHNAKQSG-RYUDHWBXSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001573731819 948595835 /nfs/dbraw/zinc/59/58/35/948595835.db2.gz IESHHJOUOLAFCC-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001573731819 948595840 /nfs/dbraw/zinc/59/58/40/948595840.db2.gz IESHHJOUOLAFCC-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccnn1C ZINC001573732704 948607698 /nfs/dbraw/zinc/60/76/98/948607698.db2.gz VPHDMNXSPCYCTB-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccnn1C ZINC001573732704 948607702 /nfs/dbraw/zinc/60/77/02/948607702.db2.gz VPHDMNXSPCYCTB-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573736064 948611402 /nfs/dbraw/zinc/61/14/02/948611402.db2.gz FCKOIJCTICMWJW-SWLSCSKDSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)C(F)(F)F ZINC001573739744 948622978 /nfs/dbraw/zinc/62/29/78/948622978.db2.gz ADJUMADKDKIQLN-JVUFJMBOSA-N -1 3 388.325 0.870 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)C(F)(F)F ZINC001573739744 948622981 /nfs/dbraw/zinc/62/29/81/948622981.db2.gz ADJUMADKDKIQLN-JVUFJMBOSA-N -1 3 388.325 0.870 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C)c1cnn(C)c1 ZINC001573740417 948634079 /nfs/dbraw/zinc/63/40/79/948634079.db2.gz OLZDGCRWSNVGJL-LALPHHSUSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C)c1cnn(C)c1 ZINC001573740417 948634085 /nfs/dbraw/zinc/63/40/85/948634085.db2.gz OLZDGCRWSNVGJL-LALPHHSUSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C1CCC1 ZINC001573740783 948642875 /nfs/dbraw/zinc/64/28/75/948642875.db2.gz SJUYXFYOMLGLFM-FZZIBODNSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C1CCC1 ZINC001573740783 948642877 /nfs/dbraw/zinc/64/28/77/948642877.db2.gz SJUYXFYOMLGLFM-FZZIBODNSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O)n1cccc1 ZINC001573740860 948645343 /nfs/dbraw/zinc/64/53/43/948645343.db2.gz PQHOOLWELYYLEK-JLZZUVOBSA-N -1 3 399.430 0.730 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O)n1cccc1 ZINC001573740860 948645351 /nfs/dbraw/zinc/64/53/51/948645351.db2.gz PQHOOLWELYYLEK-JLZZUVOBSA-N -1 3 399.430 0.730 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C)C(F)(F)F ZINC001573740939 948646635 /nfs/dbraw/zinc/64/66/35/948646635.db2.gz QVEUTFZSTHFCEK-SOCHQFKDSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C)C(F)(F)F ZINC001573740939 948646641 /nfs/dbraw/zinc/64/66/41/948646641.db2.gz QVEUTFZSTHFCEK-SOCHQFKDSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573741198 948652832 /nfs/dbraw/zinc/65/28/32/948652832.db2.gz YVPUQRUOPOXQLI-OJDYBEQGSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573741198 948652839 /nfs/dbraw/zinc/65/28/39/948652839.db2.gz YVPUQRUOPOXQLI-OJDYBEQGSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C)n1cccc1 ZINC001573741576 948655844 /nfs/dbraw/zinc/65/58/44/948655844.db2.gz DGUPASANUWWPGN-BZPMIXESSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C)n1cccc1 ZINC001573741576 948655849 /nfs/dbraw/zinc/65/58/49/948655849.db2.gz DGUPASANUWWPGN-BZPMIXESSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573741824 948657227 /nfs/dbraw/zinc/65/72/27/948657227.db2.gz FCKOIJCTICMWJW-DOMZBBRYSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)C(C)(C)C ZINC001573741612 948657686 /nfs/dbraw/zinc/65/76/86/948657686.db2.gz ZRXXLYGLFWHPAS-WQAKAFBOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)C(C)(C)C ZINC001573741612 948657691 /nfs/dbraw/zinc/65/76/91/948657691.db2.gz ZRXXLYGLFWHPAS-WQAKAFBOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C)n1cccn1 ZINC001573742061 948659210 /nfs/dbraw/zinc/65/92/10/948659210.db2.gz HUKRXQBNOAQRCW-UTUOFQBUSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C)n1cccn1 ZINC001573742061 948659215 /nfs/dbraw/zinc/65/92/15/948659215.db2.gz HUKRXQBNOAQRCW-UTUOFQBUSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573745889 948675172 /nfs/dbraw/zinc/67/51/72/948675172.db2.gz GMOTWXLFOXTLMD-BYNQJWBRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573745889 948675175 /nfs/dbraw/zinc/67/51/75/948675175.db2.gz GMOTWXLFOXTLMD-BYNQJWBRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573745891 948675410 /nfs/dbraw/zinc/67/54/10/948675410.db2.gz GMOTWXLFOXTLMD-HKUMRIAESA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573745891 948675418 /nfs/dbraw/zinc/67/54/18/948675418.db2.gz GMOTWXLFOXTLMD-HKUMRIAESA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)[C@@H]1C)n1cncn1 ZINC001573745956 948676334 /nfs/dbraw/zinc/67/63/34/948676334.db2.gz HYYOCMYIUNBFBK-BREBYQMCSA-N -1 3 386.395 0.337 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)[C@@H]1C)n1cncn1 ZINC001573745956 948676339 /nfs/dbraw/zinc/67/63/39/948676339.db2.gz HYYOCMYIUNBFBK-BREBYQMCSA-N -1 3 386.395 0.337 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573746374 948680575 /nfs/dbraw/zinc/68/05/75/948680575.db2.gz JKBYDUWNVGWUHY-XDTLVQLUSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573746374 948680579 /nfs/dbraw/zinc/68/05/79/948680579.db2.gz JKBYDUWNVGWUHY-XDTLVQLUSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573746516 948682933 /nfs/dbraw/zinc/68/29/33/948682933.db2.gz NMYDGHVCMJNNFT-HONMWMINSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573746516 948682935 /nfs/dbraw/zinc/68/29/35/948682935.db2.gz NMYDGHVCMJNNFT-HONMWMINSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573746809 948685455 /nfs/dbraw/zinc/68/54/55/948685455.db2.gz LJLRRBMSZRPMCU-OASPWFOLSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573746809 948685462 /nfs/dbraw/zinc/68/54/62/948685462.db2.gz LJLRRBMSZRPMCU-OASPWFOLSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCC(=O)N1 ZINC001573748870 948698627 /nfs/dbraw/zinc/69/86/27/948698627.db2.gz WGIKXMSCEXQCCK-HBJVGIJOSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCC(=O)N1 ZINC001573748870 948698632 /nfs/dbraw/zinc/69/86/32/948698632.db2.gz WGIKXMSCEXQCCK-HBJVGIJOSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)C(C)(F)F ZINC001573753982 948722691 /nfs/dbraw/zinc/72/26/91/948722691.db2.gz YZGBUODTUSJLNJ-APOZVJGGSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)C(C)(F)F ZINC001573753982 948722695 /nfs/dbraw/zinc/72/26/95/948722695.db2.gz YZGBUODTUSJLNJ-APOZVJGGSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573753956 948722929 /nfs/dbraw/zinc/72/29/29/948722929.db2.gz YVPUQRUOPOXQLI-MPTQWLOMSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573753956 948722934 /nfs/dbraw/zinc/72/29/34/948722934.db2.gz YVPUQRUOPOXQLI-MPTQWLOMSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(N)=O)N(C)Cc1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573754384 948741073 /nfs/dbraw/zinc/74/10/73/948741073.db2.gz FUFSBSOLIHXOAM-NSHDSACASA-N -1 3 382.428 0.430 20 0 GCADHM CC(C)c1ccc(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nc1 ZINC001574416504 948748657 /nfs/dbraw/zinc/74/86/57/948748657.db2.gz VSFRYSXEFKNMOY-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)c1ccc(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nc1 ZINC001574416504 948748669 /nfs/dbraw/zinc/74/86/69/948748669.db2.gz VSFRYSXEFKNMOY-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575222794 948760226 /nfs/dbraw/zinc/76/02/26/948760226.db2.gz KIOBBMSOSGAECN-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575222794 948760237 /nfs/dbraw/zinc/76/02/37/948760237.db2.gz KIOBBMSOSGAECN-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM C[C@@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573755302 948760405 /nfs/dbraw/zinc/76/04/05/948760405.db2.gz OJSSUPCAAQKGOO-QMMMGPOBSA-N -1 3 387.429 0.093 20 0 GCADHM C[C@@H](C(=O)Nc1nccs1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573755302 948760413 /nfs/dbraw/zinc/76/04/13/948760413.db2.gz OJSSUPCAAQKGOO-QMMMGPOBSA-N -1 3 387.429 0.093 20 0 GCADHM C[C@H](CNC(=O)CCS(C)(=O)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574915383 948764591 /nfs/dbraw/zinc/76/45/91/948764591.db2.gz SFCFHOHQTPGZNN-MRVPVSSYSA-N -1 3 387.853 0.266 20 0 GCADHM C[C@H](CNC(=O)CCS(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574915383 948764601 /nfs/dbraw/zinc/76/46/01/948764601.db2.gz SFCFHOHQTPGZNN-MRVPVSSYSA-N -1 3 387.853 0.266 20 0 GCADHM C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1n[nH]c2c1CCCC2 ZINC001574679197 948769732 /nfs/dbraw/zinc/76/97/32/948769732.db2.gz PXQMTUAIFQBGKE-SNVBAGLBSA-N -1 3 382.432 0.879 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001575223934 948774999 /nfs/dbraw/zinc/77/49/99/948774999.db2.gz PUVYUTDLORMQAL-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001575223934 948775009 /nfs/dbraw/zinc/77/50/09/948775009.db2.gz PUVYUTDLORMQAL-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCOCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574079655 948775144 /nfs/dbraw/zinc/77/51/44/948775144.db2.gz DAAYGLKITDVZQG-ZDUSSCGKSA-N -1 3 381.412 0.394 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCOCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574079655 948775153 /nfs/dbraw/zinc/77/51/53/948775153.db2.gz DAAYGLKITDVZQG-ZDUSSCGKSA-N -1 3 381.412 0.394 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574079715 948775983 /nfs/dbraw/zinc/77/59/83/948775983.db2.gz FUIQCNGWEAABLG-OAHLLOKOSA-N -1 3 391.455 0.643 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574079715 948775997 /nfs/dbraw/zinc/77/59/97/948775997.db2.gz FUIQCNGWEAABLG-OAHLLOKOSA-N -1 3 391.455 0.643 20 0 GCADHM CC(F)(F)CC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001575224215 948778506 /nfs/dbraw/zinc/77/85/06/948778506.db2.gz KGDULIKEALVRGN-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)CC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001575224215 948778513 /nfs/dbraw/zinc/77/85/13/948778513.db2.gz KGDULIKEALVRGN-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574079722 948779223 /nfs/dbraw/zinc/77/92/23/948779223.db2.gz GBUOKORUEZMPDU-MFKMUULPSA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574079722 948779237 /nfs/dbraw/zinc/77/92/37/948779237.db2.gz GBUOKORUEZMPDU-MFKMUULPSA-N -1 3 379.396 0.146 20 0 GCADHM C[C@H](CNC(=O)CCc1cncn1C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574916521 948779871 /nfs/dbraw/zinc/77/98/71/948779871.db2.gz CKGOZOPQUSCGTN-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CNC(=O)CCc1cncn1C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574916521 948779887 /nfs/dbraw/zinc/77/98/87/948779887.db2.gz CKGOZOPQUSCGTN-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001575224392 948784018 /nfs/dbraw/zinc/78/40/18/948784018.db2.gz VOLOYGGAKOKYMD-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001575224392 948784029 /nfs/dbraw/zinc/78/40/29/948784029.db2.gz VOLOYGGAKOKYMD-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575224365 948784583 /nfs/dbraw/zinc/78/45/83/948784583.db2.gz VIOLDUCUQXYQJL-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575224365 948784591 /nfs/dbraw/zinc/78/45/91/948784591.db2.gz VIOLDUCUQXYQJL-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001574080454 948794338 /nfs/dbraw/zinc/79/43/38/948794338.db2.gz LGBUQUFMZQBGJJ-AAEUAGOBSA-N -1 3 381.387 0.716 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001574080454 948794350 /nfs/dbraw/zinc/79/43/50/948794350.db2.gz LGBUQUFMZQBGJJ-AAEUAGOBSA-N -1 3 381.387 0.716 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN([S@@](C)(=N)=O)CC1 ZINC001573755983 948794518 /nfs/dbraw/zinc/79/45/18/948794518.db2.gz KSSNSXGILRIBBR-KPHLJTLVSA-N -1 3 378.462 0.403 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([S@@](C)(=N)=O)CC1 ZINC001573755983 948794529 /nfs/dbraw/zinc/79/45/29/948794529.db2.gz KSSNSXGILRIBBR-KPHLJTLVSA-N -1 3 378.462 0.403 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@@H]1O ZINC001574080486 948796274 /nfs/dbraw/zinc/79/62/74/948796274.db2.gz MBVXWZOBLRMFNH-ILXRZTDVSA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1O ZINC001574080486 948796280 /nfs/dbraw/zinc/79/62/80/948796280.db2.gz MBVXWZOBLRMFNH-ILXRZTDVSA-N -1 3 380.399 0.661 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1C[C@H](O)[C@H](CO)C1 ZINC001573756076 948796650 /nfs/dbraw/zinc/79/66/50/948796650.db2.gz WRGPLUUDAPKHBG-YWVKMMECSA-N -1 3 378.458 0.029 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1C[C@H](O)[C@H](CO)C1 ZINC001573756076 948796660 /nfs/dbraw/zinc/79/66/60/948796660.db2.gz WRGPLUUDAPKHBG-YWVKMMECSA-N -1 3 378.458 0.029 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574916984 948798388 /nfs/dbraw/zinc/79/83/88/948798388.db2.gz NXNCRLMCEKDGAV-NSHDSACASA-N -1 3 385.407 0.765 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574916984 948798393 /nfs/dbraw/zinc/79/83/93/948798393.db2.gz NXNCRLMCEKDGAV-NSHDSACASA-N -1 3 385.407 0.765 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001573756294 948806776 /nfs/dbraw/zinc/80/67/76/948806776.db2.gz YSJPKYOQNVRMFT-CKYFFXLPSA-N -1 3 392.485 0.419 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001573756294 948806793 /nfs/dbraw/zinc/80/67/93/948806793.db2.gz YSJPKYOQNVRMFT-CKYFFXLPSA-N -1 3 392.485 0.419 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)c1cnn(C)c1 ZINC001573756359 948812000 /nfs/dbraw/zinc/81/20/00/948812000.db2.gz PEIZELHIPCHFDB-RABLLNBGSA-N -1 3 379.428 0.350 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)c1cnn(C)c1 ZINC001573756359 948812015 /nfs/dbraw/zinc/81/20/15/948812015.db2.gz PEIZELHIPCHFDB-RABLLNBGSA-N -1 3 379.428 0.350 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1O ZINC001574081069 948813996 /nfs/dbraw/zinc/81/39/96/948813996.db2.gz PBYJJXBZSFJGIF-UTUOFQBUSA-N -1 3 383.815 0.575 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1O ZINC001574081069 948814006 /nfs/dbraw/zinc/81/40/06/948814006.db2.gz PBYJJXBZSFJGIF-UTUOFQBUSA-N -1 3 383.815 0.575 20 0 GCADHM C[C@H](CNC(=O)CCc1cncn1C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917226 948815952 /nfs/dbraw/zinc/81/59/52/948815952.db2.gz UTNGSOYDEIPWST-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CNC(=O)CCc1cncn1C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917226 948815967 /nfs/dbraw/zinc/81/59/67/948815967.db2.gz UTNGSOYDEIPWST-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574422031 948828353 /nfs/dbraw/zinc/82/83/53/948828353.db2.gz VEVCKHXSHAORFA-JTQLQIEISA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574422031 948828374 /nfs/dbraw/zinc/82/83/74/948828374.db2.gz VEVCKHXSHAORFA-JTQLQIEISA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574422014 948828646 /nfs/dbraw/zinc/82/86/46/948828646.db2.gz USIBMJPYQZUEJB-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574422014 948828663 /nfs/dbraw/zinc/82/86/63/948828663.db2.gz USIBMJPYQZUEJB-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccn1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917964 948833469 /nfs/dbraw/zinc/83/34/69/948833469.db2.gz DNOJCYHQZBMIIJ-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccn1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917964 948833488 /nfs/dbraw/zinc/83/34/88/948833488.db2.gz DNOJCYHQZBMIIJ-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM CC(C)c1cnc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001574423993 948835838 /nfs/dbraw/zinc/83/58/38/948835838.db2.gz AIFPLPQKIFLDHQ-UHFFFAOYSA-N -1 3 386.416 0.283 20 0 GCADHM CC(C)c1cnc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001574423993 948835855 /nfs/dbraw/zinc/83/58/55/948835855.db2.gz AIFPLPQKIFLDHQ-UHFFFAOYSA-N -1 3 386.416 0.283 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574081572 948835959 /nfs/dbraw/zinc/83/59/59/948835959.db2.gz USDHCPAWIOWAEO-AAEUAGOBSA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574081572 948835977 /nfs/dbraw/zinc/83/59/77/948835977.db2.gz USDHCPAWIOWAEO-AAEUAGOBSA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574081573 948836090 /nfs/dbraw/zinc/83/60/90/948836090.db2.gz USDHCPAWIOWAEO-DGCLKSJQSA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574081573 948836112 /nfs/dbraw/zinc/83/61/12/948836112.db2.gz USDHCPAWIOWAEO-DGCLKSJQSA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)c1cnc[nH]1 ZINC001573761288 948841289 /nfs/dbraw/zinc/84/12/89/948841289.db2.gz GDUHEVMUYRPPJE-NSHDSACASA-N -1 3 382.432 0.040 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCCO1 ZINC001573761503 948842724 /nfs/dbraw/zinc/84/27/24/948842724.db2.gz JAXJEABOJVSBHI-AWEZNQCLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCCO1 ZINC001573761503 948842740 /nfs/dbraw/zinc/84/27/40/948842740.db2.gz JAXJEABOJVSBHI-AWEZNQCLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573761449 948845948 /nfs/dbraw/zinc/84/59/48/948845948.db2.gz IVMVCILYLLZHEL-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573761449 948845952 /nfs/dbraw/zinc/84/59/52/948845952.db2.gz IVMVCILYLLZHEL-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574918383 948846526 /nfs/dbraw/zinc/84/65/26/948846526.db2.gz KFDJHINSCUMMAP-SECBINFHSA-N -1 3 385.425 0.142 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574918383 948846540 /nfs/dbraw/zinc/84/65/40/948846540.db2.gz KFDJHINSCUMMAP-SECBINFHSA-N -1 3 385.425 0.142 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001574082024 948847327 /nfs/dbraw/zinc/84/73/27/948847327.db2.gz ZLSUYOOMUSEEDF-QLFBSQMISA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001574082024 948847343 /nfs/dbraw/zinc/84/73/43/948847343.db2.gz ZLSUYOOMUSEEDF-QLFBSQMISA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573761961 948849793 /nfs/dbraw/zinc/84/97/93/948849793.db2.gz NDABFCQZLXIOQK-UHFFFAOYSA-N -1 3 380.412 0.508 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573761961 948849814 /nfs/dbraw/zinc/84/98/14/948849814.db2.gz NDABFCQZLXIOQK-UHFFFAOYSA-N -1 3 380.412 0.508 20 0 GCADHM CC(C)(C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573762711 948860397 /nfs/dbraw/zinc/86/03/97/948860397.db2.gz ZFSWHNUVXJDRGM-UHFFFAOYSA-N -1 3 385.350 0.972 20 0 GCADHM CC(C)(C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573762711 948860414 /nfs/dbraw/zinc/86/04/14/948860414.db2.gz ZFSWHNUVXJDRGM-UHFFFAOYSA-N -1 3 385.350 0.972 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cnc[nH]1 ZINC001573762691 948861015 /nfs/dbraw/zinc/86/10/15/948861015.db2.gz YIQBQLXUDLTPPP-NSHDSACASA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cnc[nH]1 ZINC001573762691 948861035 /nfs/dbraw/zinc/86/10/35/948861035.db2.gz YIQBQLXUDLTPPP-NSHDSACASA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)C1(C(=O)N2CCO[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001574082501 948861511 /nfs/dbraw/zinc/86/15/11/948861511.db2.gz FOCJRDXZAQQFEQ-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)C1(C(=O)N2CCO[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001574082501 948861527 /nfs/dbraw/zinc/86/15/27/948861527.db2.gz FOCJRDXZAQQFEQ-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)no1 ZINC001574425195 948869058 /nfs/dbraw/zinc/86/90/58/948869058.db2.gz ARBRYZCKNFHJLS-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)no1 ZINC001574425195 948869074 /nfs/dbraw/zinc/86/90/74/948869074.db2.gz ARBRYZCKNFHJLS-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@@H](CNC(=O)CCCc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574919180 948870103 /nfs/dbraw/zinc/87/01/03/948870103.db2.gz VTCGNDZXFQQFEF-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)CCCc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574919180 948870126 /nfs/dbraw/zinc/87/01/26/948870126.db2.gz VTCGNDZXFQQFEF-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1nnn(C)n1 ZINC001574684452 948870479 /nfs/dbraw/zinc/87/04/79/948870479.db2.gz GQNIMJGKQXTBQP-ZETCQYMHSA-N -1 3 377.800 0.059 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1nnn(C)n1 ZINC001574684452 948870489 /nfs/dbraw/zinc/87/04/89/948870489.db2.gz GQNIMJGKQXTBQP-ZETCQYMHSA-N -1 3 377.800 0.059 20 0 GCADHM CC(C)c1nc(CN[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)no1 ZINC001574425221 948871644 /nfs/dbraw/zinc/87/16/44/948871644.db2.gz AWPLCXGEVNKKSM-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)no1 ZINC001574425221 948871658 /nfs/dbraw/zinc/87/16/58/948871658.db2.gz AWPLCXGEVNKKSM-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CCn1ccnn1 ZINC001574684548 948873950 /nfs/dbraw/zinc/87/39/50/948873950.db2.gz IBNZTTXAORPFJK-SNVBAGLBSA-N -1 3 390.839 0.904 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CCn1ccnn1 ZINC001574684548 948873961 /nfs/dbraw/zinc/87/39/61/948873961.db2.gz IBNZTTXAORPFJK-SNVBAGLBSA-N -1 3 390.839 0.904 20 0 GCADHM CC(C)c1nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001574425468 948875072 /nfs/dbraw/zinc/87/50/72/948875072.db2.gz FMBRGYPPVHAQRN-QWRGUYRKSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)c1nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001574425468 948875093 /nfs/dbraw/zinc/87/50/93/948875093.db2.gz FMBRGYPPVHAQRN-QWRGUYRKSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)(C(=O)N1CCC(Nc2cnc(-c3nnn[n-]3)cn2)CC1)c1cnc[nH]1 ZINC001573763793 948876959 /nfs/dbraw/zinc/87/69/59/948876959.db2.gz IDVMEXRQDJQGND-UHFFFAOYSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)c1cnc[nH]1 ZINC001573763793 948876978 /nfs/dbraw/zinc/87/69/78/948876978.db2.gz IDVMEXRQDJQGND-UHFFFAOYSA-N -1 3 382.432 0.761 20 0 GCADHM C[C@H](CNC(=O)CCCc1ccccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574919431 948878038 /nfs/dbraw/zinc/87/80/38/948878038.db2.gz ZGOYLDBRMKNQOP-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CNC(=O)CCCc1ccccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574919431 948878049 /nfs/dbraw/zinc/87/80/49/948878049.db2.gz ZGOYLDBRMKNQOP-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H](O)c1ccnn1C ZINC001574083169 948879457 /nfs/dbraw/zinc/87/94/57/948879457.db2.gz PEJWHFKHCQXBMV-GOEBONIOSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H](O)c1ccnn1C ZINC001574083169 948879480 /nfs/dbraw/zinc/87/94/80/948879480.db2.gz PEJWHFKHCQXBMV-GOEBONIOSA-N -1 3 385.428 0.853 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)no1 ZINC001574425746 948881690 /nfs/dbraw/zinc/88/16/90/948881690.db2.gz MMMHLIUVQUAQFZ-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)no1 ZINC001574425746 948881709 /nfs/dbraw/zinc/88/17/09/948881709.db2.gz MMMHLIUVQUAQFZ-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573764294 948886468 /nfs/dbraw/zinc/88/64/68/948886468.db2.gz LUQFNGDKXDGUBM-NSHDSACASA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573764294 948886483 /nfs/dbraw/zinc/88/64/83/948886483.db2.gz LUQFNGDKXDGUBM-NSHDSACASA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C1CC1 ZINC001573764303 948886536 /nfs/dbraw/zinc/88/65/36/948886536.db2.gz MCMHBLBWIXSBBD-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C1CC1 ZINC001573764303 948886556 /nfs/dbraw/zinc/88/65/56/948886556.db2.gz MCMHBLBWIXSBBD-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001574083714 948890373 /nfs/dbraw/zinc/89/03/73/948890373.db2.gz XLMPEPINNVLYDM-UYHMYPTGSA-N -1 3 375.429 0.661 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 ZINC001574083714 948890386 /nfs/dbraw/zinc/89/03/86/948890386.db2.gz XLMPEPINNVLYDM-UYHMYPTGSA-N -1 3 375.429 0.661 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574684955 948894815 /nfs/dbraw/zinc/89/48/15/948894815.db2.gz PPIJEYBFFDBENQ-KOLCDFICSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574684955 948894837 /nfs/dbraw/zinc/89/48/37/948894837.db2.gz PPIJEYBFFDBENQ-KOLCDFICSA-N -1 3 376.396 0.186 20 0 GCADHM CC(C)(C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573764679 948896098 /nfs/dbraw/zinc/89/60/98/948896098.db2.gz QCGSCVAKJDVYOX-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573764679 948896110 /nfs/dbraw/zinc/89/61/10/948896110.db2.gz QCGSCVAKJDVYOX-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1)C1CC1 ZINC001573765205 948901804 /nfs/dbraw/zinc/90/18/04/948901804.db2.gz WKXHYCDKZKGFBI-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1)C1CC1 ZINC001573765205 948901817 /nfs/dbraw/zinc/90/18/17/948901817.db2.gz WKXHYCDKZKGFBI-GXTWGEPZSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574427387 948902912 /nfs/dbraw/zinc/90/29/12/948902912.db2.gz DIFZLCDOHFOOJN-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574427387 948902922 /nfs/dbraw/zinc/90/29/22/948902922.db2.gz DIFZLCDOHFOOJN-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920614 948904322 /nfs/dbraw/zinc/90/43/22/948904322.db2.gz NACYAQIEETWERB-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920614 948904330 /nfs/dbraw/zinc/90/43/30/948904330.db2.gz NACYAQIEETWERB-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM CC(C)(C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1cnc[nH]1 ZINC001573765380 948905075 /nfs/dbraw/zinc/90/50/75/948905075.db2.gz AQQLIFZNILXCSD-UHFFFAOYSA-N -1 3 382.432 0.396 20 0 GCADHM C[C@H](CNC(=O)CCc1cscn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920495 948907464 /nfs/dbraw/zinc/90/74/64/948907464.db2.gz MRULMDAOMONJME-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1cscn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920495 948907476 /nfs/dbraw/zinc/90/74/76/948907476.db2.gz MRULMDAOMONJME-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1cscn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574920494 948907503 /nfs/dbraw/zinc/90/75/03/948907503.db2.gz MRULMDAOMONJME-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1cscn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574920494 948907521 /nfs/dbraw/zinc/90/75/21/948907521.db2.gz MRULMDAOMONJME-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574920960 948915651 /nfs/dbraw/zinc/91/56/51/948915651.db2.gz RWORREXJVCMUKO-VIFPVBQESA-N -1 3 390.839 0.593 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574920960 948915663 /nfs/dbraw/zinc/91/56/63/948915663.db2.gz RWORREXJVCMUKO-VIFPVBQESA-N -1 3 390.839 0.593 20 0 GCADHM CC(C)(C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)c1cnc[nH]1 ZINC001573765591 948916023 /nfs/dbraw/zinc/91/60/23/948916023.db2.gz PRINSAPVYDIZDN-UHFFFAOYSA-N -1 3 385.407 0.750 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCO1 ZINC001574088291 948916924 /nfs/dbraw/zinc/91/69/24/948916924.db2.gz AJOHFZISTWAGEK-ABAIWWIYSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCO1 ZINC001574088291 948916938 /nfs/dbraw/zinc/91/69/38/948916938.db2.gz AJOHFZISTWAGEK-ABAIWWIYSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)NCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574088345 948920966 /nfs/dbraw/zinc/92/09/66/948920966.db2.gz BENDWUPOXAMFGW-DOMZBBRYSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)NCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574088345 948920977 /nfs/dbraw/zinc/92/09/77/948920977.db2.gz BENDWUPOXAMFGW-DOMZBBRYSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cn(C)ccc1=O ZINC001574685865 948922005 /nfs/dbraw/zinc/92/20/05/948922005.db2.gz BOJPNHWCBMKVDD-SNVBAGLBSA-N -1 3 386.391 0.720 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cn(C)ccc1=O ZINC001574685865 948922016 /nfs/dbraw/zinc/92/20/16/948922016.db2.gz BOJPNHWCBMKVDD-SNVBAGLBSA-N -1 3 386.391 0.720 20 0 GCADHM CC(F)(F)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575235590 948923690 /nfs/dbraw/zinc/92/36/90/948923690.db2.gz PSLOLFKVFZLHNZ-WOFXILAISA-N -1 3 379.371 0.817 20 0 GCADHM CC(F)(F)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575235590 948923698 /nfs/dbraw/zinc/92/36/98/948923698.db2.gz PSLOLFKVFZLHNZ-WOFXILAISA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnc[nH]1 ZINC001573765797 948924259 /nfs/dbraw/zinc/92/42/59/948924259.db2.gz HXLTTWAPBFHCOE-JTQLQIEISA-N -1 3 383.416 0.226 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574431839 948925238 /nfs/dbraw/zinc/92/52/38/948925238.db2.gz CQKYTVKWPRUMAP-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574431764 948926501 /nfs/dbraw/zinc/92/65/01/948926501.db2.gz BELXPCWAMZLQSN-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001574432217 948927428 /nfs/dbraw/zinc/92/74/28/948927428.db2.gz FQDVDRQDYHHNIN-GFCCVEGCSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001574432217 948927440 /nfs/dbraw/zinc/92/74/40/948927440.db2.gz FQDVDRQDYHHNIN-GFCCVEGCSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574431882 948927550 /nfs/dbraw/zinc/92/75/50/948927550.db2.gz DAUKVIGIHLZFAB-NWDGAFQWSA-N -1 3 384.448 0.404 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574431921 948930087 /nfs/dbraw/zinc/93/00/87/948930087.db2.gz FGEWZYKODKEMAC-JTQLQIEISA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574431921 948930093 /nfs/dbraw/zinc/93/00/93/948930093.db2.gz FGEWZYKODKEMAC-JTQLQIEISA-N -1 3 383.416 0.657 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCCC(=O)N(C)C ZINC001574686220 948931489 /nfs/dbraw/zinc/93/14/89/948931489.db2.gz GRQQIRVQFOBRML-LLVKDONJSA-N -1 3 392.439 0.966 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCCC(=O)N(C)C ZINC001574686220 948931503 /nfs/dbraw/zinc/93/15/03/948931503.db2.gz GRQQIRVQFOBRML-LLVKDONJSA-N -1 3 392.439 0.966 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574432252 948932278 /nfs/dbraw/zinc/93/22/78/948932278.db2.gz GSWLTAJAGSIARX-JTQLQIEISA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574432252 948932284 /nfs/dbraw/zinc/93/22/84/948932284.db2.gz GSWLTAJAGSIARX-JTQLQIEISA-N -1 3 383.416 0.657 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001574686366 948932823 /nfs/dbraw/zinc/93/28/23/948932823.db2.gz HMYRGVDAGWVPMN-CMPLNLGQSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001574686366 948932829 /nfs/dbraw/zinc/93/28/29/948932829.db2.gz HMYRGVDAGWVPMN-CMPLNLGQSA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574432543 948936888 /nfs/dbraw/zinc/93/68/88/948936888.db2.gz MIUOEVXVPXAFIW-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574432543 948936900 /nfs/dbraw/zinc/93/69/00/948936900.db2.gz MIUOEVXVPXAFIW-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574088908 948937159 /nfs/dbraw/zinc/93/71/59/948937159.db2.gz HEWCQLQFRHMCJA-SCLBCKFNSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574088908 948937171 /nfs/dbraw/zinc/93/71/71/948937171.db2.gz HEWCQLQFRHMCJA-SCLBCKFNSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574088906 948939274 /nfs/dbraw/zinc/93/92/74/948939274.db2.gz HEWCQLQFRHMCJA-ACJLOTCBSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574088906 948939286 /nfs/dbraw/zinc/93/92/86/948939286.db2.gz HEWCQLQFRHMCJA-ACJLOTCBSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574432953 948944795 /nfs/dbraw/zinc/94/47/95/948944795.db2.gz QHPRJLDZCZEGAG-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574432953 948944812 /nfs/dbraw/zinc/94/48/12/948944812.db2.gz QHPRJLDZCZEGAG-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574687056 948944966 /nfs/dbraw/zinc/94/49/66/948944966.db2.gz MMCCWLXQVINOEG-CABZTGNLSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574687056 948944984 /nfs/dbraw/zinc/94/49/84/948944984.db2.gz MMCCWLXQVINOEG-CABZTGNLSA-N -1 3 376.396 0.328 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574432971 948946189 /nfs/dbraw/zinc/94/61/89/948946189.db2.gz RDKCSGCMHMXCDA-GFCCVEGCSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574432971 948946203 /nfs/dbraw/zinc/94/62/03/948946203.db2.gz RDKCSGCMHMXCDA-GFCCVEGCSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574433277 948950398 /nfs/dbraw/zinc/95/03/98/948950398.db2.gz RWYBICHKCZQHCQ-GFCCVEGCSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574433320 948953391 /nfs/dbraw/zinc/95/33/91/948953391.db2.gz UIQNDSXNKUGNGS-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574433364 948953845 /nfs/dbraw/zinc/95/38/45/948953845.db2.gz WHJOGXRVXNCJPJ-CYBMUJFWSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574433364 948953856 /nfs/dbraw/zinc/95/38/56/948953856.db2.gz WHJOGXRVXNCJPJ-CYBMUJFWSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574433398 948958170 /nfs/dbraw/zinc/95/81/70/948958170.db2.gz LDRBOIYYGJRPGS-LBPRGKRZSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574433398 948958179 /nfs/dbraw/zinc/95/81/79/948958179.db2.gz LDRBOIYYGJRPGS-LBPRGKRZSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573772358 948959652 /nfs/dbraw/zinc/95/96/52/948959652.db2.gz AQVJMBLPJCWVFB-LBPRGKRZSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573772358 948959664 /nfs/dbraw/zinc/95/96/64/948959664.db2.gz AQVJMBLPJCWVFB-LBPRGKRZSA-N -1 3 389.460 0.618 20 0 GCADHM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574924089 948961712 /nfs/dbraw/zinc/96/17/12/948961712.db2.gz VPUWPZXEEMTMEM-LBPRGKRZSA-N -1 3 383.416 0.073 20 0 GCADHM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574924089 948961723 /nfs/dbraw/zinc/96/17/23/948961723.db2.gz VPUWPZXEEMTMEM-LBPRGKRZSA-N -1 3 383.416 0.073 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCCO1 ZINC001573772751 948965494 /nfs/dbraw/zinc/96/54/94/948965494.db2.gz DHVQKQRKTFTKCN-CQSZACIVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCCO1 ZINC001573772751 948965502 /nfs/dbraw/zinc/96/55/02/948965502.db2.gz DHVQKQRKTFTKCN-CQSZACIVSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)CCn1cncn1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574924114 948967971 /nfs/dbraw/zinc/96/79/71/948967971.db2.gz WFOSKFTXVICZML-JTQLQIEISA-N -1 3 390.839 0.761 20 0 GCADHM C[C@@H](CNC(=O)CCn1cncn1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574924114 948967986 /nfs/dbraw/zinc/96/79/86/948967986.db2.gz WFOSKFTXVICZML-JTQLQIEISA-N -1 3 390.839 0.761 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001575240107 948970626 /nfs/dbraw/zinc/97/06/26/948970626.db2.gz ZGMXWYZKRWMGMR-VXGBXAGGSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001575240107 948970635 /nfs/dbraw/zinc/97/06/35/948970635.db2.gz ZGMXWYZKRWMGMR-VXGBXAGGSA-N -1 3 381.387 0.753 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCO1 ZINC001574090015 948973785 /nfs/dbraw/zinc/97/37/85/948973785.db2.gz HFSUYUKQXPPMNS-XHDPSFHLSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@H]1C[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCO1 ZINC001574090015 948973797 /nfs/dbraw/zinc/97/37/97/948973797.db2.gz HFSUYUKQXPPMNS-XHDPSFHLSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001574434199 948976651 /nfs/dbraw/zinc/97/66/51/948976651.db2.gz ZNGNQUUASCVVJP-LLVKDONJSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001574434199 948976660 /nfs/dbraw/zinc/97/66/60/948976660.db2.gz ZNGNQUUASCVVJP-LLVKDONJSA-N -1 3 385.432 0.321 20 0 GCADHM C[C@H](CNC(=O)CN1CCCNC1=O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574925731 948977492 /nfs/dbraw/zinc/97/74/92/948977492.db2.gz CRVPHZGSCQXAOR-NSHDSACASA-N -1 3 390.423 0.585 20 0 GCADHM C[C@H](CNC(=O)CN1CCCNC1=O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574925731 948977503 /nfs/dbraw/zinc/97/75/03/948977503.db2.gz CRVPHZGSCQXAOR-NSHDSACASA-N -1 3 390.423 0.585 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573773108 948978136 /nfs/dbraw/zinc/97/81/36/948978136.db2.gz GYIDBWMEDKRSNJ-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573773108 948978154 /nfs/dbraw/zinc/97/81/54/948978154.db2.gz GYIDBWMEDKRSNJ-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574434623 948982472 /nfs/dbraw/zinc/98/24/72/948982472.db2.gz LDCZGFGVMAEBLM-NSHDSACASA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574434623 948982482 /nfs/dbraw/zinc/98/24/82/948982482.db2.gz LDCZGFGVMAEBLM-NSHDSACASA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)c1nnc(CN[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001574434569 948983509 /nfs/dbraw/zinc/98/35/09/948983509.db2.gz KCBGRTNSRHGNAX-KLPPZKSPSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnc(CN[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)o1 ZINC001574434983 948986995 /nfs/dbraw/zinc/98/69/95/948986995.db2.gz NZAXSICWAZQQIR-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)o1 ZINC001574434983 948987011 /nfs/dbraw/zinc/98/70/11/948987011.db2.gz NZAXSICWAZQQIR-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CNC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)o1 ZINC001574434960 948989010 /nfs/dbraw/zinc/98/90/10/948989010.db2.gz NHBJKABCWMFVMV-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnc(CNC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)o1 ZINC001574434960 948989019 /nfs/dbraw/zinc/98/90/19/948989019.db2.gz NHBJKABCWMFVMV-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](F)CCN1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001575243198 948991411 /nfs/dbraw/zinc/99/14/11/948991411.db2.gz NXYDDMOBXFRFGT-WCQYABFASA-N -1 3 377.424 0.906 20 0 GCADHM C[C@@H](CNC(=O)CN(C)CC(C)(C)C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574926186 948991974 /nfs/dbraw/zinc/99/19/74/948991974.db2.gz KENZBBJYKBZQTI-GFCCVEGCSA-N -1 3 375.481 0.221 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574926334 948994236 /nfs/dbraw/zinc/99/42/36/948994236.db2.gz NVGIZUWTXMRZOR-SECBINFHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574926334 948994257 /nfs/dbraw/zinc/99/42/57/948994257.db2.gz NVGIZUWTXMRZOR-SECBINFHSA-N -1 3 376.396 0.186 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574435371 948994449 /nfs/dbraw/zinc/99/44/49/948994449.db2.gz ULNNFIXEZIUNNR-WDEREUQCSA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574435371 948994463 /nfs/dbraw/zinc/99/44/63/948994463.db2.gz ULNNFIXEZIUNNR-WDEREUQCSA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCCO1 ZINC001573774025 948996187 /nfs/dbraw/zinc/99/61/87/948996187.db2.gz PGXNYSQPPXGCHB-AWEZNQCLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCCO1 ZINC001573774025 948996194 /nfs/dbraw/zinc/99/61/94/948996194.db2.gz PGXNYSQPPXGCHB-AWEZNQCLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)c1nnc(CNC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)o1 ZINC001574435603 948997963 /nfs/dbraw/zinc/99/79/63/948997963.db2.gz WJNRBUUDNWNIHY-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnc(CNC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)o1 ZINC001574435603 948997975 /nfs/dbraw/zinc/99/79/75/948997975.db2.gz WJNRBUUDNWNIHY-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573774130 949000484 /nfs/dbraw/zinc/00/04/84/949000484.db2.gz QUSOSCQPQXTCPX-ZDUSSCGKSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573774130 949000494 /nfs/dbraw/zinc/00/04/94/949000494.db2.gz QUSOSCQPQXTCPX-ZDUSSCGKSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)c1noc(CN2CC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574439182 949001418 /nfs/dbraw/zinc/00/14/18/949001418.db2.gz BQYPDNWXNDZBHA-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1noc(CN2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574439182 949001432 /nfs/dbraw/zinc/00/14/32/949001432.db2.gz BQYPDNWXNDZBHA-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1noc(CN2CC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574439184 949002053 /nfs/dbraw/zinc/00/20/53/949002053.db2.gz BQYPDNWXNDZBHA-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1noc(CN2CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574439184 949002065 /nfs/dbraw/zinc/00/20/65/949002065.db2.gz BQYPDNWXNDZBHA-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573774153 949005767 /nfs/dbraw/zinc/00/57/67/949005767.db2.gz ROIGVNSIBFXWCZ-ZDUSSCGKSA-N -1 3 386.460 0.067 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573774153 949005793 /nfs/dbraw/zinc/00/57/93/949005793.db2.gz ROIGVNSIBFXWCZ-ZDUSSCGKSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575501345 949006721 /nfs/dbraw/zinc/00/67/21/949006721.db2.gz HDRWSCQIUUCLBN-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575501345 949006736 /nfs/dbraw/zinc/00/67/36/949006736.db2.gz HDRWSCQIUUCLBN-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574439256 949007023 /nfs/dbraw/zinc/00/70/23/949007023.db2.gz DQCZLGPNAJSRKI-JTQLQIEISA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574439256 949007037 /nfs/dbraw/zinc/00/70/37/949007037.db2.gz DQCZLGPNAJSRKI-JTQLQIEISA-N -1 3 389.445 0.439 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cc(C(N)=O)ccn1 ZINC001574690717 949008091 /nfs/dbraw/zinc/00/80/91/949008091.db2.gz QESRJFYWBIZOQF-JTQLQIEISA-N -1 3 381.400 0.376 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cc(C(N)=O)ccn1 ZINC001574690717 949008110 /nfs/dbraw/zinc/00/81/10/949008110.db2.gz QESRJFYWBIZOQF-JTQLQIEISA-N -1 3 381.400 0.376 20 0 GCADHM CC(C)c1nnsc1C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574440076 949016017 /nfs/dbraw/zinc/01/60/17/949016017.db2.gz MLOWSPHNTYYNPB-UHFFFAOYSA-N -1 3 389.445 0.672 20 0 GCADHM CC(C)c1nnsc1C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574440076 949016036 /nfs/dbraw/zinc/01/60/36/949016036.db2.gz MLOWSPHNTYYNPB-UHFFFAOYSA-N -1 3 389.445 0.672 20 0 GCADHM CC(C)c1nnsc1C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574439828 949018537 /nfs/dbraw/zinc/01/85/37/949018537.db2.gz JRNPCRAYVFXSHZ-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM CC(C)c1nnsc1C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574439828 949018557 /nfs/dbraw/zinc/01/85/57/949018557.db2.gz JRNPCRAYVFXSHZ-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001574091496 949019402 /nfs/dbraw/zinc/01/94/02/949019402.db2.gz NURWDZDJDCVKPP-HZPDHXFCSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001574091496 949019417 /nfs/dbraw/zinc/01/94/17/949019417.db2.gz NURWDZDJDCVKPP-HZPDHXFCSA-N -1 3 388.447 0.961 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCC1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574926772 949019944 /nfs/dbraw/zinc/01/99/44/949019944.db2.gz XFQKODHAVIXGOT-LLVKDONJSA-N -1 3 390.423 0.354 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCC1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574926772 949019963 /nfs/dbraw/zinc/01/99/63/949019963.db2.gz XFQKODHAVIXGOT-LLVKDONJSA-N -1 3 390.423 0.354 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574926892 949025710 /nfs/dbraw/zinc/02/57/10/949025710.db2.gz CQUHMDBCOBDTCT-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574926892 949025731 /nfs/dbraw/zinc/02/57/31/949025731.db2.gz CQUHMDBCOBDTCT-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM C[C@@H](CNC(=O)CN1CCOCC1=O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574926887 949028281 /nfs/dbraw/zinc/02/82/81/949028281.db2.gz CMMBJWJCHWEQKQ-LLVKDONJSA-N -1 3 391.407 0.029 20 0 GCADHM C[C@@H](CNC(=O)CN1CCOCC1=O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574926887 949028300 /nfs/dbraw/zinc/02/83/00/949028300.db2.gz CMMBJWJCHWEQKQ-LLVKDONJSA-N -1 3 391.407 0.029 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574440536 949029020 /nfs/dbraw/zinc/02/90/20/949029020.db2.gz QZXGANZFLJHWTK-TXEJJXNPSA-N -1 3 383.420 0.131 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574440536 949029047 /nfs/dbraw/zinc/02/90/47/949029047.db2.gz QZXGANZFLJHWTK-TXEJJXNPSA-N -1 3 383.420 0.131 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575245858 949029564 /nfs/dbraw/zinc/02/95/64/949029564.db2.gz DPXOEGDAHPRIPV-UWVGGRQHSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575245858 949029575 /nfs/dbraw/zinc/02/95/75/949029575.db2.gz DPXOEGDAHPRIPV-UWVGGRQHSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575245855 949030649 /nfs/dbraw/zinc/03/06/49/949030649.db2.gz DPXOEGDAHPRIPV-NXEZZACHSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575245855 949030623 /nfs/dbraw/zinc/03/06/23/949030623.db2.gz DPXOEGDAHPRIPV-NXEZZACHSA-N -1 3 392.439 0.868 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)c1c[nH]cn1 ZINC001573775253 949035042 /nfs/dbraw/zinc/03/50/42/949035042.db2.gz UYEZTSDPBCNWPG-UHFFFAOYSA-N -1 3 382.432 0.808 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)c1c[nH]cn1 ZINC001573775253 949035075 /nfs/dbraw/zinc/03/50/75/949035075.db2.gz UYEZTSDPBCNWPG-UHFFFAOYSA-N -1 3 382.432 0.808 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575502934 949035299 /nfs/dbraw/zinc/03/52/99/949035299.db2.gz LTKZXTAYWZPVEM-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575502934 949035319 /nfs/dbraw/zinc/03/53/19/949035319.db2.gz LTKZXTAYWZPVEM-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001575503009 949037484 /nfs/dbraw/zinc/03/74/84/949037484.db2.gz MRZHIXPTWRVVAM-LURJTMIESA-N -1 3 387.433 0.908 20 0 GCADHM CC(C)c1noc(CN2CC([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574440804 949037563 /nfs/dbraw/zinc/03/75/63/949037563.db2.gz VGYFOOUFVQSHLP-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN2CC([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574440804 949037580 /nfs/dbraw/zinc/03/75/80/949037580.db2.gz VGYFOOUFVQSHLP-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCCO1 ZINC001573775282 949038643 /nfs/dbraw/zinc/03/86/43/949038643.db2.gz VPFXNXACEZFIOR-KGLIPLIRSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCCO1 ZINC001573775282 949038662 /nfs/dbraw/zinc/03/86/62/949038662.db2.gz VPFXNXACEZFIOR-KGLIPLIRSA-N -1 3 389.460 0.746 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574927412 949039929 /nfs/dbraw/zinc/03/99/29/949039929.db2.gz IIPFVLSAGVQALH-JTQLQIEISA-N -1 3 392.439 0.504 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574927412 949039904 /nfs/dbraw/zinc/03/99/04/949039904.db2.gz IIPFVLSAGVQALH-JTQLQIEISA-N -1 3 392.439 0.504 20 0 GCADHM CC(C)(C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)c1c[nH]cn1 ZINC001573775290 949040228 /nfs/dbraw/zinc/04/02/28/949040228.db2.gz VVGBMUBQOJQUOJ-NSHDSACASA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574440940 949041954 /nfs/dbraw/zinc/04/19/54/949041954.db2.gz ZBNZTRHKMBRABX-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574440940 949041974 /nfs/dbraw/zinc/04/19/74/949041974.db2.gz ZBNZTRHKMBRABX-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001574092195 949048287 /nfs/dbraw/zinc/04/82/87/949048287.db2.gz QRTCVJOSKOOXKU-ZIAGYGMSSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001574092195 949048303 /nfs/dbraw/zinc/04/83/03/949048303.db2.gz QRTCVJOSKOOXKU-ZIAGYGMSSA-N -1 3 388.447 0.961 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575247622 949049951 /nfs/dbraw/zinc/04/99/51/949049951.db2.gz KMCJUFVHTGDPHN-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575247622 949049929 /nfs/dbraw/zinc/04/99/29/949049929.db2.gz KMCJUFVHTGDPHN-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1c[nH]cn1 ZINC001573778974 949050867 /nfs/dbraw/zinc/05/08/67/949050867.db2.gz AYVLXYKMLCVRJR-LLVKDONJSA-N -1 3 383.416 0.226 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575248149 949058295 /nfs/dbraw/zinc/05/82/95/949058295.db2.gz OKTJGOHUZIBRDW-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575248149 949058314 /nfs/dbraw/zinc/05/83/14/949058314.db2.gz OKTJGOHUZIBRDW-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)c1nsc(CNC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574441415 949058649 /nfs/dbraw/zinc/05/86/49/949058649.db2.gz JWHWWNJBOSKJMK-SECBINFHSA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)(C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)C(F)F ZINC001573779317 949059304 /nfs/dbraw/zinc/05/93/04/949059304.db2.gz HIVBFVIXCAZFHU-UHFFFAOYSA-N -1 3 380.399 0.821 20 0 GCADHM CC(C)(C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)C(F)F ZINC001573779317 949059325 /nfs/dbraw/zinc/05/93/25/949059325.db2.gz HIVBFVIXCAZFHU-UHFFFAOYSA-N -1 3 380.399 0.821 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575248150 949060604 /nfs/dbraw/zinc/06/06/04/949060604.db2.gz OKTJGOHUZIBRDW-RYUDHWBXSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575248150 949060626 /nfs/dbraw/zinc/06/06/26/949060626.db2.gz OKTJGOHUZIBRDW-RYUDHWBXSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)(C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)C(F)F ZINC001573779488 949063241 /nfs/dbraw/zinc/06/32/41/949063241.db2.gz JVJDNDSBTYFMOD-UHFFFAOYSA-N -1 3 386.428 0.882 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1ncccc1-c1nn[n-]n1 ZINC001574928858 949063483 /nfs/dbraw/zinc/06/34/83/949063483.db2.gz RSHQQPLWERAVHE-JTQLQIEISA-N -1 3 386.441 0.670 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC/C=C/CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575248257 949063398 /nfs/dbraw/zinc/06/33/98/949063398.db2.gz QBTQRHQYLCRXND-BTDICHCPSA-N -1 3 386.460 0.897 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC/C=C/CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575248257 949063418 /nfs/dbraw/zinc/06/34/18/949063418.db2.gz QBTQRHQYLCRXND-BTDICHCPSA-N -1 3 386.460 0.897 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1ncccc1-c1nnn[n-]1 ZINC001574928858 949063461 /nfs/dbraw/zinc/06/34/61/949063461.db2.gz RSHQQPLWERAVHE-JTQLQIEISA-N -1 3 386.441 0.670 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574928848 949064922 /nfs/dbraw/zinc/06/49/22/949064922.db2.gz RIUHLCRLPUVRNK-LBPRGKRZSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574928848 949064943 /nfs/dbraw/zinc/06/49/43/949064943.db2.gz RIUHLCRLPUVRNK-LBPRGKRZSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574441608 949069503 /nfs/dbraw/zinc/06/95/03/949069503.db2.gz OZPPDCSKDLYRNZ-MGCOHNPYSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574441608 949069525 /nfs/dbraw/zinc/06/95/25/949069525.db2.gz OZPPDCSKDLYRNZ-MGCOHNPYSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)c1c[nH]cn1 ZINC001573780039 949075037 /nfs/dbraw/zinc/07/50/37/949075037.db2.gz QITFPWRJGZBQJA-LLVKDONJSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)c1nsc(CNC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574441778 949076352 /nfs/dbraw/zinc/07/63/52/949076352.db2.gz XAUWTNFWTWGSDY-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nsc(CNC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574441778 949076370 /nfs/dbraw/zinc/07/63/70/949076370.db2.gz XAUWTNFWTWGSDY-JTQLQIEISA-N -1 3 391.461 0.050 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1ncccc1-c1nnn[n-]1 ZINC001574929090 949078036 /nfs/dbraw/zinc/07/80/36/949078036.db2.gz XXFNKXIDKOIZGO-LBPRGKRZSA-N -1 3 387.448 0.231 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)CNc1ncccc1-c1nn[n-]n1 ZINC001574929090 949078053 /nfs/dbraw/zinc/07/80/53/949078053.db2.gz XXFNKXIDKOIZGO-LBPRGKRZSA-N -1 3 387.448 0.231 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574441933 949083344 /nfs/dbraw/zinc/08/33/44/949083344.db2.gz GBXWIYDSDRSNBX-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574441933 949083360 /nfs/dbraw/zinc/08/33/60/949083360.db2.gz GBXWIYDSDRSNBX-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574929248 949086100 /nfs/dbraw/zinc/08/61/00/949086100.db2.gz BLSMHFFCONQQAE-NSHDSACASA-N -1 3 384.400 0.496 20 0 GCADHM C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574929248 949086116 /nfs/dbraw/zinc/08/61/16/949086116.db2.gz BLSMHFFCONQQAE-NSHDSACASA-N -1 3 384.400 0.496 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574092952 949087308 /nfs/dbraw/zinc/08/73/08/949087308.db2.gz QNBAWNCMPIAGFK-CHWSQXEVSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574092952 949087328 /nfs/dbraw/zinc/08/73/28/949087328.db2.gz QNBAWNCMPIAGFK-CHWSQXEVSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1c[nH]cn1 ZINC001573780356 949088507 /nfs/dbraw/zinc/08/85/07/949088507.db2.gz WVTPDELPNJGKCT-LLVKDONJSA-N -1 3 382.432 0.300 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574092992 949089391 /nfs/dbraw/zinc/08/93/91/949089391.db2.gz QPTVBVSRECUVEZ-NEPJUHHUSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574092992 949089408 /nfs/dbraw/zinc/08/94/08/949089408.db2.gz QPTVBVSRECUVEZ-NEPJUHHUSA-N -1 3 375.433 0.038 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574929333 949089991 /nfs/dbraw/zinc/08/99/91/949089991.db2.gz CZIUAYRNKLCARF-QWHCGFSZSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574929334 949090147 /nfs/dbraw/zinc/09/01/47/949090147.db2.gz CZIUAYRNKLCARF-STQMWFEESA-N -1 3 375.433 0.398 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574929333 949090008 /nfs/dbraw/zinc/09/00/08/949090008.db2.gz CZIUAYRNKLCARF-QWHCGFSZSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574929334 949090169 /nfs/dbraw/zinc/09/01/69/949090169.db2.gz CZIUAYRNKLCARF-STQMWFEESA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)c1nocc1C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574442725 949100174 /nfs/dbraw/zinc/10/01/74/949100174.db2.gz SAMDQKABCHDYDP-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM CC(C)c1nocc1C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574442725 949100189 /nfs/dbraw/zinc/10/01/89/949100189.db2.gz SAMDQKABCHDYDP-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575249547 949102302 /nfs/dbraw/zinc/10/23/02/949102302.db2.gz YZOXJEQDBMYOJA-DGCLKSJQSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575249547 949102310 /nfs/dbraw/zinc/10/23/10/949102310.db2.gz YZOXJEQDBMYOJA-DGCLKSJQSA-N -1 3 386.460 0.507 20 0 GCADHM CC(C)(C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC001573781420 949103223 /nfs/dbraw/zinc/10/32/23/949103223.db2.gz GHUPYJJLYLXNGD-ONEGZZNKSA-N -1 3 386.460 0.457 20 0 GCADHM CC(C)(C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC001573781420 949103233 /nfs/dbraw/zinc/10/32/33/949103233.db2.gz GHUPYJJLYLXNGD-ONEGZZNKSA-N -1 3 386.460 0.457 20 0 GCADHM CC(C)(C(=O)NCCCn1ccc(=O)[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001573781399 949104045 /nfs/dbraw/zinc/10/40/45/949104045.db2.gz FQBQPDODAFDKNL-UHFFFAOYSA-N -1 3 383.412 0.613 20 0 GCADHM CC(C)(C(=O)NCCCn1ccc(=O)[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001573781399 949104056 /nfs/dbraw/zinc/10/40/56/949104056.db2.gz FQBQPDODAFDKNL-UHFFFAOYSA-N -1 3 383.412 0.613 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CC1 ZINC001573781401 949104358 /nfs/dbraw/zinc/10/43/58/949104358.db2.gz FQHYPUCQRYLRMS-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CC1 ZINC001573781401 949104373 /nfs/dbraw/zinc/10/43/73/949104373.db2.gz FQHYPUCQRYLRMS-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C1CC1 ZINC001573781165 949104616 /nfs/dbraw/zinc/10/46/16/949104616.db2.gz DHGUVDZAFASTJB-UHFFFAOYSA-N -1 3 384.488 0.936 20 0 GCADHM CC(C)(C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C1CC1 ZINC001573781165 949104630 /nfs/dbraw/zinc/10/46/30/949104630.db2.gz DHGUVDZAFASTJB-UHFFFAOYSA-N -1 3 384.488 0.936 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574443211 949105741 /nfs/dbraw/zinc/10/57/41/949105741.db2.gz VZDUKBDEFKYTHT-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574443211 949105753 /nfs/dbraw/zinc/10/57/53/949105753.db2.gz VZDUKBDEFKYTHT-LBPRGKRZSA-N -1 3 386.416 0.918 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575250052 949107722 /nfs/dbraw/zinc/10/77/22/949107722.db2.gz CRFKAVFDMGNMMO-ZWNOBZJWSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575250052 949107713 /nfs/dbraw/zinc/10/77/13/949107713.db2.gz CRFKAVFDMGNMMO-ZWNOBZJWSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCOCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574093621 949111946 /nfs/dbraw/zinc/11/19/46/949111946.db2.gz WRISEUCEGKIDHJ-QWHCGFSZSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCOCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574093621 949111958 /nfs/dbraw/zinc/11/19/58/949111958.db2.gz WRISEUCEGKIDHJ-QWHCGFSZSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)C(F)F ZINC001573781967 949112285 /nfs/dbraw/zinc/11/22/85/949112285.db2.gz NQCAWWKDHWWZPA-LLVKDONJSA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)C(F)F ZINC001573781967 949112299 /nfs/dbraw/zinc/11/22/99/949112299.db2.gz NQCAWWKDHWWZPA-LLVKDONJSA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574445764 949112396 /nfs/dbraw/zinc/11/23/96/949112396.db2.gz CEYYTSIDQBDJAQ-SNVBAGLBSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574445764 949112405 /nfs/dbraw/zinc/11/24/05/949112405.db2.gz CEYYTSIDQBDJAQ-SNVBAGLBSA-N -1 3 387.400 0.432 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001575250358 949114027 /nfs/dbraw/zinc/11/40/27/949114027.db2.gz FKZXQRNSKGKISR-NWDGAFQWSA-N -1 3 392.485 0.236 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574446029 949114528 /nfs/dbraw/zinc/11/45/28/949114528.db2.gz GBAMRTJQPBUXBZ-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574446029 949114541 /nfs/dbraw/zinc/11/45/41/949114541.db2.gz GBAMRTJQPBUXBZ-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574446100 949121002 /nfs/dbraw/zinc/12/10/02/949121002.db2.gz IMJFRUPZXMSZGS-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574446100 949121020 /nfs/dbraw/zinc/12/10/20/949121020.db2.gz IMJFRUPZXMSZGS-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574093936 949121707 /nfs/dbraw/zinc/12/17/07/949121707.db2.gz UCAOUPNMLBIFGG-OLZOCXBDSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574093936 949121722 /nfs/dbraw/zinc/12/17/22/949121722.db2.gz UCAOUPNMLBIFGG-OLZOCXBDSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574446188 949125012 /nfs/dbraw/zinc/12/50/12/949125012.db2.gz JMHRIEWDVYYPFT-NSHDSACASA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574446188 949125030 /nfs/dbraw/zinc/12/50/30/949125030.db2.gz JMHRIEWDVYYPFT-NSHDSACASA-N -1 3 386.416 0.918 20 0 GCADHM C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575250998 949125907 /nfs/dbraw/zinc/12/59/07/949125907.db2.gz JVGGNLSZBMELAP-STQMWFEESA-N -1 3 388.476 0.678 20 0 GCADHM C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575250998 949125887 /nfs/dbraw/zinc/12/58/87/949125887.db2.gz JVGGNLSZBMELAP-STQMWFEESA-N -1 3 388.476 0.678 20 0 GCADHM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1c[nH]cn1 ZINC001573782679 949129403 /nfs/dbraw/zinc/12/94/03/949129403.db2.gz GWSVYJUDESTUTD-XYPYZODXSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574094219 949131130 /nfs/dbraw/zinc/13/11/30/949131130.db2.gz YEZKWAZIUFKAEY-CVEARBPZSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574094219 949131147 /nfs/dbraw/zinc/13/11/47/949131147.db2.gz YEZKWAZIUFKAEY-CVEARBPZSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574446570 949132356 /nfs/dbraw/zinc/13/23/56/949132356.db2.gz RIACQNHQLVESRJ-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574446570 949132368 /nfs/dbraw/zinc/13/23/68/949132368.db2.gz RIACQNHQLVESRJ-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)COC1CCCC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574932195 949132830 /nfs/dbraw/zinc/13/28/30/949132830.db2.gz VSOUYNAXLFGBTE-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)COC1CCCC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574932195 949132843 /nfs/dbraw/zinc/13/28/43/949132843.db2.gz VSOUYNAXLFGBTE-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574094226 949133611 /nfs/dbraw/zinc/13/36/11/949133611.db2.gz YEZKWAZIUFKAEY-HZPDHXFCSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574094226 949133630 /nfs/dbraw/zinc/13/36/30/949133630.db2.gz YEZKWAZIUFKAEY-HZPDHXFCSA-N -1 3 384.488 0.792 20 0 GCADHM C[C@H](CNC(=O)COC1CCCC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574932194 949134450 /nfs/dbraw/zinc/13/44/50/949134450.db2.gz VSOUYNAXLFGBTE-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)COC1CCCC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574932194 949134468 /nfs/dbraw/zinc/13/44/68/949134468.db2.gz VSOUYNAXLFGBTE-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575251217 949135414 /nfs/dbraw/zinc/13/54/14/949135414.db2.gz MDQUALUJHWFKJR-UWVGGRQHSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575251217 949135422 /nfs/dbraw/zinc/13/54/22/949135422.db2.gz MDQUALUJHWFKJR-UWVGGRQHSA-N -1 3 381.462 0.390 20 0 GCADHM CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1c[nH]cn1 ZINC001573782961 949136240 /nfs/dbraw/zinc/13/62/40/949136240.db2.gz PLRWBWUSCFCNGK-XYPYZODXSA-N -1 3 382.432 0.664 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575251481 949140432 /nfs/dbraw/zinc/14/04/32/949140432.db2.gz NOVGYXYDUGIJHM-GHMZBOCLSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)n1cccn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575251481 949140442 /nfs/dbraw/zinc/14/04/42/949140442.db2.gz NOVGYXYDUGIJHM-GHMZBOCLSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)C(F)(F)F)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575251426 949142638 /nfs/dbraw/zinc/14/26/38/949142638.db2.gz NAQQTBZOOSMGJS-JGVFFNPUSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)C(F)(F)F)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575251426 949142652 /nfs/dbraw/zinc/14/26/52/949142652.db2.gz NAQQTBZOOSMGJS-JGVFFNPUSA-N -1 3 385.350 0.970 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574447099 949150879 /nfs/dbraw/zinc/15/08/79/949150879.db2.gz GCAZQJGFCAWINS-AOOOYVTPSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574447099 949150886 /nfs/dbraw/zinc/15/08/86/949150886.db2.gz GCAZQJGFCAWINS-AOOOYVTPSA-N -1 3 384.400 0.997 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1ncccc1-c1nnn[n-]1 ZINC001574934258 949152162 /nfs/dbraw/zinc/15/21/62/949152162.db2.gz CYYVEIFNHJITGH-LBPRGKRZSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccnn1C)CNc1ncccc1-c1nn[n-]n1 ZINC001574934258 949152171 /nfs/dbraw/zinc/15/21/71/949152171.db2.gz CYYVEIFNHJITGH-LBPRGKRZSA-N -1 3 385.432 0.376 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574934339 949156488 /nfs/dbraw/zinc/15/64/88/949156488.db2.gz FMLRECFGCLRCAJ-LBPRGKRZSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574934339 949156499 /nfs/dbraw/zinc/15/64/99/949156499.db2.gz FMLRECFGCLRCAJ-LBPRGKRZSA-N -1 3 385.432 0.153 20 0 GCADHM CC(C)c1ocnc1C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574447529 949161133 /nfs/dbraw/zinc/16/11/33/949161133.db2.gz RONUGECACLSLID-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1ocnc1C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574447529 949161146 /nfs/dbraw/zinc/16/11/46/949161146.db2.gz RONUGECACLSLID-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O)C(F)F ZINC001573787108 949165083 /nfs/dbraw/zinc/16/50/83/949165083.db2.gz OTWRCXABYVJRID-CHWSQXEVSA-N -1 3 398.389 0.958 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O)C(F)F ZINC001573787108 949165101 /nfs/dbraw/zinc/16/51/01/949165101.db2.gz OTWRCXABYVJRID-CHWSQXEVSA-N -1 3 398.389 0.958 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)C(F)(F)F ZINC001573787173 949168628 /nfs/dbraw/zinc/16/86/28/949168628.db2.gz QEYQDTHVLNESHD-GHMZBOCLSA-N -1 3 385.350 0.516 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)C(F)(F)F ZINC001573787173 949168634 /nfs/dbraw/zinc/16/86/34/949168634.db2.gz QEYQDTHVLNESHD-GHMZBOCLSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575514628 949170108 /nfs/dbraw/zinc/17/01/08/949170108.db2.gz XIJLFBYHTNXQDY-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575514628 949170123 /nfs/dbraw/zinc/17/01/23/949170123.db2.gz XIJLFBYHTNXQDY-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574934621 949172238 /nfs/dbraw/zinc/17/22/38/949172238.db2.gz MHLFZJGHGZLXOI-NSHDSACASA-N -1 3 386.391 0.816 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574934621 949172256 /nfs/dbraw/zinc/17/22/56/949172256.db2.gz MHLFZJGHGZLXOI-NSHDSACASA-N -1 3 386.391 0.816 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575514629 949172419 /nfs/dbraw/zinc/17/24/19/949172419.db2.gz XIJLFBYHTNXQDY-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575514629 949172432 /nfs/dbraw/zinc/17/24/32/949172432.db2.gz XIJLFBYHTNXQDY-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001574447732 949173241 /nfs/dbraw/zinc/17/32/41/949173241.db2.gz ZHERZXIBPBFHGA-VXGBXAGGSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001574447732 949173249 /nfs/dbraw/zinc/17/32/49/949173249.db2.gz ZHERZXIBPBFHGA-VXGBXAGGSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573787312 949173980 /nfs/dbraw/zinc/17/39/80/949173980.db2.gz SMZIRTBBWODLOS-BETUJISGSA-N -1 3 386.460 0.432 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573787312 949173991 /nfs/dbraw/zinc/17/39/91/949173991.db2.gz SMZIRTBBWODLOS-BETUJISGSA-N -1 3 386.460 0.432 20 0 GCADHM CC(C)(C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)C(F)F ZINC001573787278 949174019 /nfs/dbraw/zinc/17/40/19/949174019.db2.gz RGGUQPYZXFXFFR-JZYVYDRUSA-N -1 3 379.371 0.673 20 0 GCADHM CC(C)(C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)C(F)F ZINC001573787278 949174027 /nfs/dbraw/zinc/17/40/27/949174027.db2.gz RGGUQPYZXFXFFR-JZYVYDRUSA-N -1 3 379.371 0.673 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574934708 949174081 /nfs/dbraw/zinc/17/40/81/949174081.db2.gz OXBDIDTVKTVWFK-SECBINFHSA-N -1 3 385.425 0.141 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574934708 949174095 /nfs/dbraw/zinc/17/40/95/949174095.db2.gz OXBDIDTVKTVWFK-SECBINFHSA-N -1 3 385.425 0.141 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)C(F)F ZINC001573787432 949178367 /nfs/dbraw/zinc/17/83/67/949178367.db2.gz ZUHCZIKPLWCTHE-KOLCDFICSA-N -1 3 384.362 0.963 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)C(F)F ZINC001573787432 949178380 /nfs/dbraw/zinc/17/83/80/949178380.db2.gz ZUHCZIKPLWCTHE-KOLCDFICSA-N -1 3 384.362 0.963 20 0 GCADHM CC(C)c1oncc1C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574448192 949178666 /nfs/dbraw/zinc/17/86/66/949178666.db2.gz FKHZZGXJSJARMC-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM CC(C)c1oncc1C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574448192 949178680 /nfs/dbraw/zinc/17/86/80/949178680.db2.gz FKHZZGXJSJARMC-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574934931 949182403 /nfs/dbraw/zinc/18/24/03/949182403.db2.gz VJYPQQXKOGDPNW-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574934931 949182421 /nfs/dbraw/zinc/18/24/21/949182421.db2.gz VJYPQQXKOGDPNW-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC001574698390 949190627 /nfs/dbraw/zinc/19/06/27/949190627.db2.gz KDADBHNZOOEUJA-DTWKUNHWSA-N -1 3 385.425 0.093 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC001574698390 949190633 /nfs/dbraw/zinc/19/06/33/949190633.db2.gz KDADBHNZOOEUJA-DTWKUNHWSA-N -1 3 385.425 0.093 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001574935060 949192683 /nfs/dbraw/zinc/19/26/83/949192683.db2.gz YIRTTWYMYMKIEB-LLVKDONJSA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001574935060 949192694 /nfs/dbraw/zinc/19/26/94/949192694.db2.gz YIRTTWYMYMKIEB-LLVKDONJSA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573788113 949192875 /nfs/dbraw/zinc/19/28/75/949192875.db2.gz GNUOGTQGLATCCA-UHFFFAOYSA-N -1 3 392.851 0.733 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573788113 949192884 /nfs/dbraw/zinc/19/28/84/949192884.db2.gz GNUOGTQGLATCCA-UHFFFAOYSA-N -1 3 392.851 0.733 20 0 GCADHM CC(C)c1oncc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001574448915 949195337 /nfs/dbraw/zinc/19/53/37/949195337.db2.gz PMTYTWNCKFEPDC-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM CC(C)c1oncc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001574448915 949195347 /nfs/dbraw/zinc/19/53/47/949195347.db2.gz PMTYTWNCKFEPDC-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM C[C@@H](c1ccccc1F)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575515817 949196115 /nfs/dbraw/zinc/19/61/15/949196115.db2.gz KVSUNJFQDNSFAI-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](c1ccccc1F)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575515817 949196131 /nfs/dbraw/zinc/19/61/31/949196131.db2.gz KVSUNJFQDNSFAI-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574935593 949201163 /nfs/dbraw/zinc/20/11/63/949201163.db2.gz CSWSHAWJTYMATJ-NSHDSACASA-N -1 3 380.412 0.520 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574935593 949201183 /nfs/dbraw/zinc/20/11/83/949201183.db2.gz CSWSHAWJTYMATJ-NSHDSACASA-N -1 3 380.412 0.520 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573788609 949204434 /nfs/dbraw/zinc/20/44/34/949204434.db2.gz OZHSQKSHOJLIDF-GXSJLCMTSA-N -1 3 390.423 0.609 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC[C@H]1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573788609 949204455 /nfs/dbraw/zinc/20/44/55/949204455.db2.gz OZHSQKSHOJLIDF-GXSJLCMTSA-N -1 3 390.423 0.609 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574449930 949204941 /nfs/dbraw/zinc/20/49/41/949204941.db2.gz WLVSKGNUVYAZTR-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574449930 949204961 /nfs/dbraw/zinc/20/49/61/949204961.db2.gz WLVSKGNUVYAZTR-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1CNC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574450266 949205161 /nfs/dbraw/zinc/20/51/61/949205161.db2.gz XXNNAZYJPUPHQA-LLVKDONJSA-N -1 3 388.432 0.529 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575254618 949207327 /nfs/dbraw/zinc/20/73/27/949207327.db2.gz NDQAXUBIJBHHRX-MFKMUULPSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575254618 949207346 /nfs/dbraw/zinc/20/73/46/949207346.db2.gz NDQAXUBIJBHHRX-MFKMUULPSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574698802 949208449 /nfs/dbraw/zinc/20/84/49/949208449.db2.gz OUOMYFSPRMICSX-ZIAGYGMSSA-N -1 3 388.476 0.489 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574698801 949209726 /nfs/dbraw/zinc/20/97/26/949209726.db2.gz OUOMYFSPRMICSX-UONOGXRCSA-N -1 3 388.476 0.489 20 0 GCADHM C[C@@H](NC(=O)C1=CCCC1)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575254666 949211460 /nfs/dbraw/zinc/21/14/60/949211460.db2.gz NXESAHICILHKGM-ABAIWWIYSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H](NC(=O)C1=CCCC1)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575254666 949211484 /nfs/dbraw/zinc/21/14/84/949211484.db2.gz NXESAHICILHKGM-ABAIWWIYSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575254705 949212277 /nfs/dbraw/zinc/21/22/77/949212277.db2.gz WWJMZJUAKRBDIB-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575254705 949212304 /nfs/dbraw/zinc/21/23/04/949212304.db2.gz WWJMZJUAKRBDIB-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573788781 949216277 /nfs/dbraw/zinc/21/62/77/949216277.db2.gz XMKPOUKEOXPPNC-CYBMUJFWSA-N -1 3 386.460 0.956 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573788781 949216300 /nfs/dbraw/zinc/21/63/00/949216300.db2.gz XMKPOUKEOXPPNC-CYBMUJFWSA-N -1 3 386.460 0.956 20 0 GCADHM CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)CCn2ccnc2)CC1 ZINC001575853663 949218104 /nfs/dbraw/zinc/21/81/04/949218104.db2.gz WVKBVYURADWBGO-UHFFFAOYSA-N -1 3 382.432 0.737 20 0 GCADHM CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)CCn2ccnc2)CC1 ZINC001575853663 949218126 /nfs/dbraw/zinc/21/81/26/949218126.db2.gz WVKBVYURADWBGO-UHFFFAOYSA-N -1 3 382.432 0.737 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575255046 949220946 /nfs/dbraw/zinc/22/09/46/949220946.db2.gz OZYOELDVERITGB-SNVBAGLBSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575255046 949220963 /nfs/dbraw/zinc/22/09/63/949220963.db2.gz OZYOELDVERITGB-SNVBAGLBSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)CC(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574103154 949228546 /nfs/dbraw/zinc/22/85/46/949228546.db2.gz LTKDVJHDJBAHIC-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574103154 949228569 /nfs/dbraw/zinc/22/85/69/949228569.db2.gz LTKDVJHDJBAHIC-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 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CC1=C(C(=O)N2CC([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575860952 949315995 /nfs/dbraw/zinc/31/59/95/949315995.db2.gz OFHJQPCYBXAATG-SNVBAGLBSA-N -1 3 385.428 0.856 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)C1 ZINC001573795290 949321170 /nfs/dbraw/zinc/32/11/70/949321170.db2.gz LLNFTUFIIYVTFU-SNVBAGLBSA-N -1 3 388.432 0.679 20 0 GCADHM C[C@H](CNC(=O)Cc1c[nH]cn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574941874 949322503 /nfs/dbraw/zinc/32/25/03/949322503.db2.gz HULPUEUWCOTTAO-SSDOTTSWSA-N -1 3 381.853 0.883 20 0 GCADHM C[C@H](CNC(=O)Cc1c[nH]cn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574941874 949322525 /nfs/dbraw/zinc/32/25/25/949322525.db2.gz HULPUEUWCOTTAO-SSDOTTSWSA-N -1 3 381.853 0.883 20 0 GCADHM CC1=C(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001575861288 949323303 /nfs/dbraw/zinc/32/33/03/949323303.db2.gz RYHSDKNVWAKITA-LBPRGKRZSA-N -1 3 385.428 0.858 20 0 GCADHM CC1=C(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001575861288 949323322 /nfs/dbraw/zinc/32/33/22/949323322.db2.gz RYHSDKNVWAKITA-LBPRGKRZSA-N -1 3 385.428 0.858 20 0 GCADHM C[C@@H](c1ncccn1)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575524504 949324875 /nfs/dbraw/zinc/32/48/75/949324875.db2.gz UDSSZKQAKOEZPU-WCQYABFASA-N -1 3 385.432 0.111 20 0 GCADHM C[C@@H](c1ncccn1)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575524504 949324897 /nfs/dbraw/zinc/32/48/97/949324897.db2.gz UDSSZKQAKOEZPU-WCQYABFASA-N -1 3 385.432 0.111 20 0 GCADHM CC1=C(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001575861492 949327586 /nfs/dbraw/zinc/32/75/86/949327586.db2.gz SAQLWQLXABNSMD-GFCCVEGCSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001575861492 949327610 /nfs/dbraw/zinc/32/76/10/949327610.db2.gz SAQLWQLXABNSMD-GFCCVEGCSA-N -1 3 385.428 1.000 20 0 GCADHM C[C@@](CNC(=O)Cc1cc[nH]n1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574942017 949328061 /nfs/dbraw/zinc/32/80/61/949328061.db2.gz IYMWXKYQLPDBJO-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)Cc1cc[nH]n1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574942017 949328084 /nfs/dbraw/zinc/32/80/84/949328084.db2.gz IYMWXKYQLPDBJO-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@]1(C(=O)N(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCOC1 ZINC001575524925 949327944 /nfs/dbraw/zinc/32/79/44/949327944.db2.gz LIFJZOIZKGCMSE-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCOC1 ZINC001575524925 949327968 /nfs/dbraw/zinc/32/79/68/949327968.db2.gz LIFJZOIZKGCMSE-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575259459 949328300 /nfs/dbraw/zinc/32/83/00/949328300.db2.gz OSFOIVJGFVHXBR-VXGBXAGGSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575259459 949328319 /nfs/dbraw/zinc/32/83/19/949328319.db2.gz OSFOIVJGFVHXBR-VXGBXAGGSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001575259460 949328690 /nfs/dbraw/zinc/32/86/90/949328690.db2.gz OSSOLOWZPXMWGN-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001575259460 949328712 /nfs/dbraw/zinc/32/87/12/949328712.db2.gz OSSOLOWZPXMWGN-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575861584 949330474 /nfs/dbraw/zinc/33/04/74/949330474.db2.gz UICKURDZBPYSOS-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575861584 949330493 /nfs/dbraw/zinc/33/04/93/949330493.db2.gz UICKURDZBPYSOS-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575525082 949331725 /nfs/dbraw/zinc/33/17/25/949331725.db2.gz WACIMTSWEIELDM-AAEUAGOBSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575525082 949331747 /nfs/dbraw/zinc/33/17/47/949331747.db2.gz WACIMTSWEIELDM-AAEUAGOBSA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574109836 949332339 /nfs/dbraw/zinc/33/23/39/949332339.db2.gz FHCUILDVAAZQFQ-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574109836 949332367 /nfs/dbraw/zinc/33/23/67/949332367.db2.gz FHCUILDVAAZQFQ-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)n1 ZINC001574458150 949337261 /nfs/dbraw/zinc/33/72/61/949337261.db2.gz PRZCOSVOALFQIZ-LLVKDONJSA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)n1 ZINC001574458150 949337280 /nfs/dbraw/zinc/33/72/80/949337280.db2.gz PRZCOSVOALFQIZ-LLVKDONJSA-N -1 3 389.395 0.381 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575525398 949340597 /nfs/dbraw/zinc/34/05/97/949340597.db2.gz NCOSOQDVGCNNBY-ZYHUDNBSSA-N -1 3 385.436 0.064 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575525398 949340618 /nfs/dbraw/zinc/34/06/18/949340618.db2.gz NCOSOQDVGCNNBY-ZYHUDNBSSA-N -1 3 385.436 0.064 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)n1 ZINC001574458280 949342428 /nfs/dbraw/zinc/34/24/28/949342428.db2.gz RVGTYVQLIRDFBZ-NSHDSACASA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)n1 ZINC001574458280 949342447 /nfs/dbraw/zinc/34/24/47/949342447.db2.gz RVGTYVQLIRDFBZ-NSHDSACASA-N -1 3 389.395 0.381 20 0 GCADHM CC1(C(=O)N(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCOCC1 ZINC001575525479 949342846 /nfs/dbraw/zinc/34/28/46/949342846.db2.gz OEPMQBGBUDOOGU-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCOCC1 ZINC001575525479 949342867 /nfs/dbraw/zinc/34/28/67/949342867.db2.gz OEPMQBGBUDOOGU-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC(C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575525445 949344116 /nfs/dbraw/zinc/34/41/16/949344116.db2.gz NUWCXYFTBYNTIZ-JTQLQIEISA-N -1 3 385.436 0.064 20 0 GCADHM C[C@@H](c1nnnn1C)N1CCC(C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575525445 949344140 /nfs/dbraw/zinc/34/41/40/949344140.db2.gz NUWCXYFTBYNTIZ-JTQLQIEISA-N -1 3 385.436 0.064 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575862215 949344848 /nfs/dbraw/zinc/34/48/48/949344848.db2.gz ZYLRNMMAZWRZSM-LBPRGKRZSA-N -1 3 385.428 0.858 20 0 GCADHM CC1=C(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575862215 949344867 /nfs/dbraw/zinc/34/48/67/949344867.db2.gz ZYLRNMMAZWRZSM-LBPRGKRZSA-N -1 3 385.428 0.858 20 0 GCADHM C[C@@H](c1ncccn1)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575525656 949346232 /nfs/dbraw/zinc/34/62/32/949346232.db2.gz ZAMHNNQGUNQDPP-AAEUAGOBSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H](c1ncccn1)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575525656 949346250 /nfs/dbraw/zinc/34/62/50/949346250.db2.gz ZAMHNNQGUNQDPP-AAEUAGOBSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001575863707 949350378 /nfs/dbraw/zinc/35/03/78/949350378.db2.gz DAEHCBGTVDQNIA-MRVPVSSYSA-N -1 3 379.218 0.932 20 0 GCADHM C[C@@H]1C(=O)N(C)CCN1C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001575863707 949350401 /nfs/dbraw/zinc/35/04/01/949350401.db2.gz DAEHCBGTVDQNIA-MRVPVSSYSA-N -1 3 379.218 0.932 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575525751 949354468 /nfs/dbraw/zinc/35/44/68/949354468.db2.gz QIXZOYATFFSLFH-SNVBAGLBSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575525751 949354490 /nfs/dbraw/zinc/35/44/90/949354490.db2.gz QIXZOYATFFSLFH-SNVBAGLBSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@@H](c1nncn1C)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575525914 949356132 /nfs/dbraw/zinc/35/61/32/949356132.db2.gz ZKRGMXUHEWAAQC-MISXGVKJSA-N -1 3 382.432 0.231 20 0 GCADHM C[C@@H](c1nncn1C)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575525914 949356161 /nfs/dbraw/zinc/35/61/61/949356161.db2.gz ZKRGMXUHEWAAQC-MISXGVKJSA-N -1 3 382.432 0.231 20 0 GCADHM CC(C)n1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574459805 949359909 /nfs/dbraw/zinc/35/99/09/949359909.db2.gz LBSIQCWQLJSIGA-FOLVSLTJSA-N -1 3 381.444 0.832 20 0 GCADHM CC(C)n1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574459805 949359932 /nfs/dbraw/zinc/35/99/32/949359932.db2.gz LBSIQCWQLJSIGA-FOLVSLTJSA-N -1 3 381.444 0.832 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574459801 949361221 /nfs/dbraw/zinc/36/12/21/949361221.db2.gz KZVBUQKPZNCPDK-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574459801 949361238 /nfs/dbraw/zinc/36/12/38/949361238.db2.gz KZVBUQKPZNCPDK-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574459480 949364467 /nfs/dbraw/zinc/36/44/67/949364467.db2.gz IGIXXDQFMUAGBT-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574459480 949364488 /nfs/dbraw/zinc/36/44/88/949364488.db2.gz IGIXXDQFMUAGBT-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001574110659 949365054 /nfs/dbraw/zinc/36/50/54/949365054.db2.gz AAMFEMPHHAWPND-CYBMUJFWSA-N -1 3 385.428 0.162 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001574110659 949365074 /nfs/dbraw/zinc/36/50/74/949365074.db2.gz AAMFEMPHHAWPND-CYBMUJFWSA-N -1 3 385.428 0.162 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ncc2c(c1-c1nnn[n-]1)COCC2 ZINC001575260973 949370449 /nfs/dbraw/zinc/37/04/49/949370449.db2.gz YSWHHCJMTSVBJV-SNVBAGLBSA-N -1 3 385.428 0.968 20 0 GCADHM CC(C)CC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574111414 949376644 /nfs/dbraw/zinc/37/66/44/949376644.db2.gz HEHHWQNXTIXQRY-SMDDNHRTSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574111414 949376654 /nfs/dbraw/zinc/37/66/54/949376654.db2.gz HEHHWQNXTIXQRY-SMDDNHRTSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001574111475 949379791 /nfs/dbraw/zinc/37/97/91/949379791.db2.gz ICUHDEUBDQPFLA-FZMZJTMJSA-N -1 3 387.444 0.450 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001574111475 949379812 /nfs/dbraw/zinc/37/98/12/949379812.db2.gz ICUHDEUBDQPFLA-FZMZJTMJSA-N -1 3 387.444 0.450 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573799949 949386026 /nfs/dbraw/zinc/38/60/26/949386026.db2.gz RRTGXVJZBMFURT-LBPRGKRZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573799949 949386044 /nfs/dbraw/zinc/38/60/44/949386044.db2.gz RRTGXVJZBMFURT-LBPRGKRZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001574463886 949386579 /nfs/dbraw/zinc/38/65/79/949386579.db2.gz AEFUYZWJYSEABM-NSHDSACASA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC001574463886 949386604 /nfs/dbraw/zinc/38/66/04/949386604.db2.gz AEFUYZWJYSEABM-NSHDSACASA-N -1 3 388.407 0.986 20 0 GCADHM C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574944310 949388872 /nfs/dbraw/zinc/38/88/72/949388872.db2.gz ABTPBIXUWXMHED-ZCFIWIBFSA-N -1 3 382.841 0.278 20 0 GCADHM C[C@H](CNC(=O)Cc1nc[nH]n1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574944310 949388894 /nfs/dbraw/zinc/38/88/94/949388894.db2.gz ABTPBIXUWXMHED-ZCFIWIBFSA-N -1 3 382.841 0.278 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574463854 949388768 /nfs/dbraw/zinc/38/87/68/949388768.db2.gz DBVKUBFAFJWBRC-LLVKDONJSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574463854 949388784 /nfs/dbraw/zinc/38/87/84/949388784.db2.gz DBVKUBFAFJWBRC-LLVKDONJSA-N -1 3 386.416 0.098 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575263276 949392137 /nfs/dbraw/zinc/39/21/37/949392137.db2.gz FMUGFMCRMLUQCF-BXUZGUMPSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575263276 949392156 /nfs/dbraw/zinc/39/21/56/949392156.db2.gz FMUGFMCRMLUQCF-BXUZGUMPSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575528218 949392614 /nfs/dbraw/zinc/39/26/14/949392614.db2.gz PCERRGNVPOCAJT-JKCQUFRZSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575528218 949392638 /nfs/dbraw/zinc/39/26/38/949392638.db2.gz PCERRGNVPOCAJT-JKCQUFRZSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCOC1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575263323 949395084 /nfs/dbraw/zinc/39/50/84/949395084.db2.gz FYEZBDFDBHWUIL-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCOC1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575263323 949395103 /nfs/dbraw/zinc/39/51/03/949395103.db2.gz FYEZBDFDBHWUIL-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574704578 949400660 /nfs/dbraw/zinc/40/06/60/949400660.db2.gz DBEVAZLOHNQGTD-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704578 949400673 /nfs/dbraw/zinc/40/06/73/949400673.db2.gz DBEVAZLOHNQGTD-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001575528396 949400825 /nfs/dbraw/zinc/40/08/25/949400825.db2.gz UWXHNGYUPQQWOK-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001575528396 949400833 /nfs/dbraw/zinc/40/08/33/949400833.db2.gz UWXHNGYUPQQWOK-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575263699 949404081 /nfs/dbraw/zinc/40/40/81/949404081.db2.gz IUCJVXOFYHJTHX-SMDDNHRTSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575263699 949404096 /nfs/dbraw/zinc/40/40/96/949404096.db2.gz IUCJVXOFYHJTHX-SMDDNHRTSA-N -1 3 389.460 0.855 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573801992 949407279 /nfs/dbraw/zinc/40/72/79/949407279.db2.gz BJKYZNJFRFMYJL-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573801992 949407302 /nfs/dbraw/zinc/40/73/02/949407302.db2.gz BJKYZNJFRFMYJL-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574945099 949409483 /nfs/dbraw/zinc/40/94/83/949409483.db2.gz KPSDIRQKQSZHGX-JTQLQIEISA-N -1 3 382.432 0.418 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576155596 949414023 /nfs/dbraw/zinc/41/40/23/949414023.db2.gz VLUQPBWWLDDLAS-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576155596 949414034 /nfs/dbraw/zinc/41/40/34/949414034.db2.gz VLUQPBWWLDDLAS-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573802298 949416768 /nfs/dbraw/zinc/41/67/68/949416768.db2.gz DKWZVKNKVSNUNI-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573802298 949416785 /nfs/dbraw/zinc/41/67/85/949416785.db2.gz DKWZVKNKVSNUNI-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575264220 949420197 /nfs/dbraw/zinc/42/01/97/949420197.db2.gz NAIIITRCFINUFX-FZMZJTMJSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575264220 949420213 /nfs/dbraw/zinc/42/02/13/949420213.db2.gz NAIIITRCFINUFX-FZMZJTMJSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575533773 949420478 /nfs/dbraw/zinc/42/04/78/949420478.db2.gz IOMXTIDHMRKPIW-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575533773 949420488 /nfs/dbraw/zinc/42/04/88/949420488.db2.gz IOMXTIDHMRKPIW-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001574464625 949421474 /nfs/dbraw/zinc/42/14/74/949421474.db2.gz OTBSGBGBRINKKI-LLVKDONJSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC001574464625 949421486 /nfs/dbraw/zinc/42/14/86/949421486.db2.gz OTBSGBGBRINKKI-LLVKDONJSA-N -1 3 388.407 0.986 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001575866970 949423501 /nfs/dbraw/zinc/42/35/01/949423501.db2.gz WFBYKLRTCNUPJD-SECBINFHSA-N -1 3 375.414 0.579 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001575866970 949423513 /nfs/dbraw/zinc/42/35/13/949423513.db2.gz WFBYKLRTCNUPJD-SECBINFHSA-N -1 3 375.414 0.579 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573802701 949423792 /nfs/dbraw/zinc/42/37/92/949423792.db2.gz KHNDKSRXZWKZIO-AULYBMBSSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573802701 949423816 /nfs/dbraw/zinc/42/38/16/949423816.db2.gz KHNDKSRXZWKZIO-AULYBMBSSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CNC(=O)Cc1ncccc1F)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574945978 949424713 /nfs/dbraw/zinc/42/47/13/949424713.db2.gz QUMPSTYUVCKIAU-SNVBAGLBSA-N -1 3 386.391 0.454 20 0 GCADHM C[C@H](CNC(=O)Cc1ncccc1F)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574945978 949424728 /nfs/dbraw/zinc/42/47/28/949424728.db2.gz QUMPSTYUVCKIAU-SNVBAGLBSA-N -1 3 386.391 0.454 20 0 GCADHM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ncccc1-c1nnn[n-]1 ZINC001574946006 949425219 /nfs/dbraw/zinc/42/52/19/949425219.db2.gz RPQMEPIDYZIQLI-SNVBAGLBSA-N -1 3 382.432 0.427 20 0 GCADHM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ncccc1-c1nn[n-]n1 ZINC001574946006 949425232 /nfs/dbraw/zinc/42/52/32/949425232.db2.gz RPQMEPIDYZIQLI-SNVBAGLBSA-N -1 3 382.432 0.427 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574705515 949428174 /nfs/dbraw/zinc/42/81/74/949428174.db2.gz UFWYZEAHAYWPRS-MWLCHTKSSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574705515 949428185 /nfs/dbraw/zinc/42/81/85/949428185.db2.gz UFWYZEAHAYWPRS-MWLCHTKSSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@@H](NC(=O)[C@H]1COCCO1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575264551 949429025 /nfs/dbraw/zinc/42/90/25/949429025.db2.gz OMBWUMAYMBCQBJ-BDJLRTHQSA-N -1 3 390.419 0.358 20 0 GCADHM Cc1ccc(CNC(=O)C2=CN(C)S(=O)(=O)N=C2C)cc1-c1nnn[n-]1 ZINC001575867008 949428975 /nfs/dbraw/zinc/42/89/75/949428975.db2.gz WMBQPMJLVTVUTF-UHFFFAOYSA-N -1 3 375.414 0.326 20 0 GCADHM Cc1ccc(CNC(=O)C2=CN(C)S(=O)(=O)N=C2C)cc1-c1nn[n-]n1 ZINC001575867008 949428989 /nfs/dbraw/zinc/42/89/89/949428989.db2.gz WMBQPMJLVTVUTF-UHFFFAOYSA-N -1 3 375.414 0.326 20 0 GCADHM C[C@@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574946021 949429862 /nfs/dbraw/zinc/42/98/62/949429862.db2.gz RVOZDRZIOSJHSY-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)Cc1ncc[nH]1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574946021 949429877 /nfs/dbraw/zinc/42/98/77/949429877.db2.gz RVOZDRZIOSJHSY-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM CC(C)CC(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574116572 949430865 /nfs/dbraw/zinc/43/08/65/949430865.db2.gz AOULYMGDTDCGTF-KRWDZBQOSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574116572 949430879 /nfs/dbraw/zinc/43/08/79/949430879.db2.gz AOULYMGDTDCGTF-KRWDZBQOSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575534576 949431270 /nfs/dbraw/zinc/43/12/70/949431270.db2.gz OFLCLQLLJWCVPP-SGTLLEGYSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575534576 949431285 /nfs/dbraw/zinc/43/12/85/949431285.db2.gz OFLCLQLLJWCVPP-SGTLLEGYSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@]1(C(=O)N2CCC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575534590 949431364 /nfs/dbraw/zinc/43/13/64/949431364.db2.gz ONSIAMVWFISPRX-SFHVURJKSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CCC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575534590 949431377 /nfs/dbraw/zinc/43/13/77/949431377.db2.gz ONSIAMVWFISPRX-SFHVURJKSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H]1[C@@H](CO)CCN1CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC001575867388 949433886 /nfs/dbraw/zinc/43/38/86/949433886.db2.gz JMZWSMBETVTGDF-CHWSQXEVSA-N -1 3 382.428 0.694 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574705811 949440306 /nfs/dbraw/zinc/44/03/06/949440306.db2.gz VTRCPKGKZUHTOV-MWLCHTKSSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574705811 949440321 /nfs/dbraw/zinc/44/03/21/949440321.db2.gz VTRCPKGKZUHTOV-MWLCHTKSSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CCNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575535211 949440928 /nfs/dbraw/zinc/44/09/28/949440928.db2.gz UCFQIGMFGRCYQD-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CCNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575535211 949440936 /nfs/dbraw/zinc/44/09/36/949440936.db2.gz UCFQIGMFGRCYQD-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575265229 949442949 /nfs/dbraw/zinc/44/29/49/949442949.db2.gz SMDPTHILLQSIOE-XPTSAGLGSA-N -1 3 389.391 0.051 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575535360 949444477 /nfs/dbraw/zinc/44/44/77/949444477.db2.gz VVMUQCPVGIRWFC-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575535360 949444494 /nfs/dbraw/zinc/44/44/94/949444494.db2.gz VVMUQCPVGIRWFC-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM CC1(C(=O)N2CCC(N(CCO)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CC1 ZINC001575535519 949449637 /nfs/dbraw/zinc/44/96/37/949449637.db2.gz YBIVKTOSOPQWIM-UHFFFAOYSA-N -1 3 387.444 0.420 20 0 GCADHM CC1(C(=O)N2CCC(N(CCO)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CC1 ZINC001575535519 949449655 /nfs/dbraw/zinc/44/96/55/949449655.db2.gz YBIVKTOSOPQWIM-UHFFFAOYSA-N -1 3 387.444 0.420 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574706198 949449865 /nfs/dbraw/zinc/44/98/65/949449865.db2.gz LKQCEAKWABAGLP-WDEREUQCSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575265602 949451626 /nfs/dbraw/zinc/45/16/26/949451626.db2.gz VMEOJPZOGFJDNF-YMTOWFKASA-N -1 3 389.391 0.051 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574468037 949453282 /nfs/dbraw/zinc/45/32/82/949453282.db2.gz FUYZZKDLLQFPTN-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574468037 949453298 /nfs/dbraw/zinc/45/32/98/949453298.db2.gz FUYZZKDLLQFPTN-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccnc1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574947864 949454771 /nfs/dbraw/zinc/45/47/71/949454771.db2.gz FIDFSYCXTYDQTA-JTQLQIEISA-N -1 3 375.824 0.753 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccnc1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574947864 949454781 /nfs/dbraw/zinc/45/47/81/949454781.db2.gz FIDFSYCXTYDQTA-JTQLQIEISA-N -1 3 375.824 0.753 20 0 GCADHM C[C@]1(C(=O)N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCCOC1 ZINC001575535767 949455552 /nfs/dbraw/zinc/45/55/52/949455552.db2.gz AZFBSDQBUPLZKG-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCCOC1 ZINC001575535767 949455558 /nfs/dbraw/zinc/45/55/58/949455558.db2.gz AZFBSDQBUPLZKG-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)n1nccc1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574468079 949455975 /nfs/dbraw/zinc/45/59/75/949455975.db2.gz HQFIVNFDIHEFMI-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1nccc1C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574468079 949455997 /nfs/dbraw/zinc/45/59/97/949455997.db2.gz HQFIVNFDIHEFMI-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001575535972 949457618 /nfs/dbraw/zinc/45/76/18/949457618.db2.gz CRRMXIZBXFQRPC-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001575535972 949457624 /nfs/dbraw/zinc/45/76/24/949457624.db2.gz CRRMXIZBXFQRPC-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccccc1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574947953 949459011 /nfs/dbraw/zinc/45/90/11/949459011.db2.gz GLBCNMXADZZMTO-JTQLQIEISA-N -1 3 388.819 0.694 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccccc1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574947953 949459025 /nfs/dbraw/zinc/45/90/25/949459025.db2.gz GLBCNMXADZZMTO-JTQLQIEISA-N -1 3 388.819 0.694 20 0 GCADHM CC(C)(C)C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001573804191 949465828 /nfs/dbraw/zinc/46/58/28/949465828.db2.gz SZCAIJABVLEVSD-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C)C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001573804191 949465844 /nfs/dbraw/zinc/46/58/44/949465844.db2.gz SZCAIJABVLEVSD-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574468791 949466210 /nfs/dbraw/zinc/46/62/10/949466210.db2.gz QVFDRLVQKVIYNG-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574468791 949466224 /nfs/dbraw/zinc/46/62/24/949466224.db2.gz QVFDRLVQKVIYNG-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574948563 949466721 /nfs/dbraw/zinc/46/67/21/949466721.db2.gz LGINSCVGSYQSDX-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574948563 949466735 /nfs/dbraw/zinc/46/67/35/949466735.db2.gz LGINSCVGSYQSDX-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)O1 ZINC001573804368 949468086 /nfs/dbraw/zinc/46/80/86/949468086.db2.gz VWOUXDNMITXBRM-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)NC[C@H]1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)O1 ZINC001573804368 949468104 /nfs/dbraw/zinc/46/81/04/949468104.db2.gz VWOUXDNMITXBRM-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575266277 949471829 /nfs/dbraw/zinc/47/18/29/949471829.db2.gz CJIZQBDNHQPCRO-RYUDHWBXSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575266277 949471845 /nfs/dbraw/zinc/47/18/45/949471845.db2.gz CJIZQBDNHQPCRO-RYUDHWBXSA-N -1 3 387.444 0.467 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573804563 949472890 /nfs/dbraw/zinc/47/28/90/949472890.db2.gz XGMBWMQXPVDIAV-BJHJDKERSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573804563 949472909 /nfs/dbraw/zinc/47/29/09/949472909.db2.gz XGMBWMQXPVDIAV-BJHJDKERSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574469116 949473230 /nfs/dbraw/zinc/47/32/30/949473230.db2.gz WTSWFMNHHOQVMO-GFCCVEGCSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574469116 949473242 /nfs/dbraw/zinc/47/32/42/949473242.db2.gz WTSWFMNHHOQVMO-GFCCVEGCSA-N -1 3 385.432 0.584 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574948840 949473854 /nfs/dbraw/zinc/47/38/54/949473854.db2.gz NKDMOKGZTKEDIU-SNVBAGLBSA-N -1 3 375.824 0.976 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574948840 949473873 /nfs/dbraw/zinc/47/38/73/949473873.db2.gz NKDMOKGZTKEDIU-SNVBAGLBSA-N -1 3 375.824 0.976 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CCNC(=O)C1 ZINC001575536758 949475060 /nfs/dbraw/zinc/47/50/60/949475060.db2.gz LMUVUARFZAFRJO-APPDUMDISA-N -1 3 388.407 0.330 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CCNC(=O)C1 ZINC001575536758 949475068 /nfs/dbraw/zinc/47/50/68/949475068.db2.gz LMUVUARFZAFRJO-APPDUMDISA-N -1 3 388.407 0.330 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574469320 949476390 /nfs/dbraw/zinc/47/63/90/949476390.db2.gz BPFVPNIJMTXZJW-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574469320 949476401 /nfs/dbraw/zinc/47/64/01/949476401.db2.gz BPFVPNIJMTXZJW-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574707998 949479854 /nfs/dbraw/zinc/47/98/54/949479854.db2.gz RQUMHPCRIDTRRL-PWSUYJOCSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574707998 949479872 /nfs/dbraw/zinc/47/98/72/949479872.db2.gz RQUMHPCRIDTRRL-PWSUYJOCSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575266573 949481926 /nfs/dbraw/zinc/48/19/26/949481926.db2.gz ZPNNTEUQMGXOAK-BXUZGUMPSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575266573 949481939 /nfs/dbraw/zinc/48/19/39/949481939.db2.gz ZPNNTEUQMGXOAK-BXUZGUMPSA-N -1 3 389.460 0.977 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H](O)C2)CCCC1 ZINC001575537119 949485874 /nfs/dbraw/zinc/48/58/74/949485874.db2.gz ROEWXXGQETUXKT-GXTWGEPZSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H](O)C2)CCCC1 ZINC001575537119 949485885 /nfs/dbraw/zinc/48/58/85/949485885.db2.gz ROEWXXGQETUXKT-GXTWGEPZSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H](O)C2)CCCC1 ZINC001575537126 949488162 /nfs/dbraw/zinc/48/81/62/949488162.db2.gz ROEWXXGQETUXKT-TZMCWYRMSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H](O)C2)CCCC1 ZINC001575537126 949488179 /nfs/dbraw/zinc/48/81/79/949488179.db2.gz ROEWXXGQETUXKT-TZMCWYRMSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575537188 949489804 /nfs/dbraw/zinc/48/98/04/949489804.db2.gz SXZWRXRHUDZBMZ-LRDDRELGSA-N -1 3 392.441 0.209 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575537188 949489814 /nfs/dbraw/zinc/48/98/14/949489814.db2.gz SXZWRXRHUDZBMZ-LRDDRELGSA-N -1 3 392.441 0.209 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574470138 949490416 /nfs/dbraw/zinc/49/04/16/949490416.db2.gz MRRYTCHZRJQPMF-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574470138 949490427 /nfs/dbraw/zinc/49/04/27/949490427.db2.gz MRRYTCHZRJQPMF-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575266879 949490918 /nfs/dbraw/zinc/49/09/18/949490918.db2.gz FOPVKKFBAUGMCC-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575266879 949490927 /nfs/dbraw/zinc/49/09/27/949490927.db2.gz FOPVKKFBAUGMCC-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574949376 949491620 /nfs/dbraw/zinc/49/16/20/949491620.db2.gz VGUMIVNODKLNCN-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574949376 949491639 /nfs/dbraw/zinc/49/16/39/949491639.db2.gz VGUMIVNODKLNCN-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001574118932 949493892 /nfs/dbraw/zinc/49/38/92/949493892.db2.gz GSQQYRHTZVTEFO-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001574118932 949493905 /nfs/dbraw/zinc/49/39/05/949493905.db2.gz GSQQYRHTZVTEFO-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575537708 949497975 /nfs/dbraw/zinc/49/79/75/949497975.db2.gz ANXOKGKSJYZTIO-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575537708 949497986 /nfs/dbraw/zinc/49/79/86/949497986.db2.gz ANXOKGKSJYZTIO-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1c[nH]cn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573807945 949503610 /nfs/dbraw/zinc/50/36/10/949503610.db2.gz ATEDRAWMQHXEQE-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574470486 949503992 /nfs/dbraw/zinc/50/39/92/949503992.db2.gz SNDJYPWRLRNXHD-LLVKDONJSA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574470486 949504001 /nfs/dbraw/zinc/50/40/01/949504001.db2.gz SNDJYPWRLRNXHD-LLVKDONJSA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1c[nH]cn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573807946 949505021 /nfs/dbraw/zinc/50/50/21/949505021.db2.gz ATEDRAWMQHXEQE-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnccn1 ZINC001573808163 949507397 /nfs/dbraw/zinc/50/73/97/949507397.db2.gz DDBFOONKKWIKKF-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnccn1 ZINC001573808163 949507413 /nfs/dbraw/zinc/50/74/13/949507413.db2.gz DDBFOONKKWIKKF-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)CC1(O)CCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808155 949510173 /nfs/dbraw/zinc/51/01/73/949510173.db2.gz DBYMZYZIVWENPU-CYBMUJFWSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)CC1(O)CCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808155 949510189 /nfs/dbraw/zinc/51/01/89/949510189.db2.gz DBYMZYZIVWENPU-CYBMUJFWSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574120915 949511391 /nfs/dbraw/zinc/51/13/91/949511391.db2.gz OPWNXAREVGMYLV-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574120915 949511408 /nfs/dbraw/zinc/51/14/08/949511408.db2.gz OPWNXAREVGMYLV-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574949752 949511882 /nfs/dbraw/zinc/51/18/82/949511882.db2.gz CLLFEWHUXRXZKP-JSGCOSHPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574949752 949511892 /nfs/dbraw/zinc/51/18/92/949511892.db2.gz CLLFEWHUXRXZKP-JSGCOSHPSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575267993 949512731 /nfs/dbraw/zinc/51/27/31/949512731.db2.gz LEXUMXAKPPPCJO-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575267993 949512750 /nfs/dbraw/zinc/51/27/50/949512750.db2.gz LEXUMXAKPPPCJO-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574121369 949512571 /nfs/dbraw/zinc/51/25/71/949512571.db2.gz OZQIYEXOZSRVRY-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574121369 949512585 /nfs/dbraw/zinc/51/25/85/949512585.db2.gz OZQIYEXOZSRVRY-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575267986 949513540 /nfs/dbraw/zinc/51/35/40/949513540.db2.gz KYUDUMZOCUDNGJ-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575267986 949513560 /nfs/dbraw/zinc/51/35/60/949513560.db2.gz KYUDUMZOCUDNGJ-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001575538371 949517385 /nfs/dbraw/zinc/51/73/85/949517385.db2.gz GMNNJTPSODRKPW-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001575538371 949517394 /nfs/dbraw/zinc/51/73/94/949517394.db2.gz GMNNJTPSODRKPW-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1csnn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808472 949517416 /nfs/dbraw/zinc/51/74/16/949517416.db2.gz GJDVWKLXGOOYOD-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1csnn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808472 949517428 /nfs/dbraw/zinc/51/74/28/949517428.db2.gz GJDVWKLXGOOYOD-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808730 949524366 /nfs/dbraw/zinc/52/43/66/949524366.db2.gz JDNGXBKJDLTKJK-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808730 949524379 /nfs/dbraw/zinc/52/43/79/949524379.db2.gz JDNGXBKJDLTKJK-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cn1ccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808982 949525997 /nfs/dbraw/zinc/52/59/97/949525997.db2.gz KEDSFMULPCFSFV-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cn1ccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808982 949526014 /nfs/dbraw/zinc/52/60/14/949526014.db2.gz KEDSFMULPCFSFV-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574122483 949527042 /nfs/dbraw/zinc/52/70/42/949527042.db2.gz XOBBACNSGWHTHH-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574122483 949527063 /nfs/dbraw/zinc/52/70/63/949527063.db2.gz XOBBACNSGWHTHH-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808995 949528923 /nfs/dbraw/zinc/52/89/23/949528923.db2.gz KJSDAMBIHDKCFA-NSHDSACASA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cnoc1 ZINC001573809172 949531907 /nfs/dbraw/zinc/53/19/07/949531907.db2.gz MIAJQZYKXCCAPV-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cnoc1 ZINC001573809172 949531922 /nfs/dbraw/zinc/53/19/22/949531922.db2.gz MIAJQZYKXCCAPV-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574471270 949532090 /nfs/dbraw/zinc/53/20/90/949532090.db2.gz LAXUOERYQGFOFP-BXUZGUMPSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574471270 949532101 /nfs/dbraw/zinc/53/21/01/949532101.db2.gz LAXUOERYQGFOFP-BXUZGUMPSA-N -1 3 384.448 0.618 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711399 949535235 /nfs/dbraw/zinc/53/52/35/949535235.db2.gz GUAXKXGLCLAILO-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711399 949535243 /nfs/dbraw/zinc/53/52/43/949535243.db2.gz GUAXKXGLCLAILO-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576163528 949536032 /nfs/dbraw/zinc/53/60/32/949536032.db2.gz BPNMRGZOIWTWEG-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576163528 949536051 /nfs/dbraw/zinc/53/60/51/949536051.db2.gz BPNMRGZOIWTWEG-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)n1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001574471859 949537036 /nfs/dbraw/zinc/53/70/36/949537036.db2.gz NSIUXOKEUYJZOC-NSHDSACASA-N -1 3 382.388 0.426 20 0 GCADHM CC(C)n1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001574471859 949537055 /nfs/dbraw/zinc/53/70/55/949537055.db2.gz NSIUXOKEUYJZOC-NSHDSACASA-N -1 3 382.388 0.426 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711401 949537461 /nfs/dbraw/zinc/53/74/61/949537461.db2.gz GUAXKXGLCLAILO-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711401 949537481 /nfs/dbraw/zinc/53/74/81/949537481.db2.gz GUAXKXGLCLAILO-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809248 949539411 /nfs/dbraw/zinc/53/94/11/949539411.db2.gz NVMHSYYTCSJRBS-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809248 949539419 /nfs/dbraw/zinc/53/94/19/949539419.db2.gz NVMHSYYTCSJRBS-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1ccon1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809428 949541857 /nfs/dbraw/zinc/54/18/57/949541857.db2.gz PPAOVGSIUQWLFV-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1ccon1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809428 949541873 /nfs/dbraw/zinc/54/18/73/949541873.db2.gz PPAOVGSIUQWLFV-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574950694 949544121 /nfs/dbraw/zinc/54/41/21/949544121.db2.gz SDVQNMIGFJDNGS-LLVKDONJSA-N -1 3 385.436 0.236 20 0 GCADHM CC(C)c1nnnn1CC(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574950694 949544137 /nfs/dbraw/zinc/54/41/37/949544137.db2.gz SDVQNMIGFJDNGS-LLVKDONJSA-N -1 3 385.436 0.236 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001573809665 949545155 /nfs/dbraw/zinc/54/51/55/949545155.db2.gz SNSPFXCWSMSPBT-ZWNOBZJWSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001573809665 949545167 /nfs/dbraw/zinc/54/51/67/949545167.db2.gz SNSPFXCWSMSPBT-ZWNOBZJWSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001573809560 949545550 /nfs/dbraw/zinc/54/55/50/949545550.db2.gz SEIATMNJSVOILF-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001573809560 949545556 /nfs/dbraw/zinc/54/55/56/949545556.db2.gz SEIATMNJSVOILF-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576163942 949545582 /nfs/dbraw/zinc/54/55/82/949545582.db2.gz DJNRVIWVOUVUEB-AAEUAGOBSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163942 949545598 /nfs/dbraw/zinc/54/55/98/949545598.db2.gz DJNRVIWVOUVUEB-AAEUAGOBSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576163946 949546250 /nfs/dbraw/zinc/54/62/50/949546250.db2.gz DJNRVIWVOUVUEB-WCQYABFASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1CCCC[C@H]1NC(=O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163946 949546268 /nfs/dbraw/zinc/54/62/68/949546268.db2.gz DJNRVIWVOUVUEB-WCQYABFASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)nc1)NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001576164193 949546319 /nfs/dbraw/zinc/54/63/19/949546319.db2.gz DYIRDQMZGCPVSD-QWHCGFSZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](CN(C)c1ccc(-c2nn[n-]n2)nc1)NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001576164193 949546337 /nfs/dbraw/zinc/54/63/37/949546337.db2.gz DYIRDQMZGCPVSD-QWHCGFSZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1CCOCC1 ZINC001573809494 949546416 /nfs/dbraw/zinc/54/64/16/949546416.db2.gz QPTMCMNVHUWZEK-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1CCOCC1 ZINC001573809494 949546435 /nfs/dbraw/zinc/54/64/35/949546435.db2.gz QPTMCMNVHUWZEK-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575269375 949546918 /nfs/dbraw/zinc/54/69/18/949546918.db2.gz UKMXQJDFDWIIRG-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C[C@H]1CCCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575269375 949546941 /nfs/dbraw/zinc/54/69/41/949546941.db2.gz UKMXQJDFDWIIRG-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574951286 949550976 /nfs/dbraw/zinc/55/09/76/949550976.db2.gz YHUFJURLYJYYEN-WFASDCNBSA-N -1 3 386.460 0.602 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574951286 949550997 /nfs/dbraw/zinc/55/09/97/949550997.db2.gz YHUFJURLYJYYEN-WFASDCNBSA-N -1 3 386.460 0.602 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574951284 949552356 /nfs/dbraw/zinc/55/23/56/949552356.db2.gz YHUFJURLYJYYEN-DOMZBBRYSA-N -1 3 386.460 0.602 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574951284 949552375 /nfs/dbraw/zinc/55/23/75/949552375.db2.gz YHUFJURLYJYYEN-DOMZBBRYSA-N -1 3 386.460 0.602 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711789 949554808 /nfs/dbraw/zinc/55/48/08/949554808.db2.gz MESMAZNKBFJQSF-AAEUAGOBSA-N -1 3 382.432 0.375 20 0 GCADHM 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C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H](C)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576167124 949601268 /nfs/dbraw/zinc/60/12/68/949601268.db2.gz OVVKFIGBBOYZNX-CHWSQXEVSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](CN(C)C(=O)C(=O)N1CCC[C@@H](C)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576167124 949601283 /nfs/dbraw/zinc/60/12/83/949601283.db2.gz OVVKFIGBBOYZNX-CHWSQXEVSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575874233 949604731 /nfs/dbraw/zinc/60/47/31/949604731.db2.gz SJHAEXHOGGTOBX-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575874233 949604744 /nfs/dbraw/zinc/60/47/44/949604744.db2.gz SJHAEXHOGGTOBX-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574476511 949608323 /nfs/dbraw/zinc/60/83/23/949608323.db2.gz DJIHFKQIBAVCLC-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574476511 949608338 /nfs/dbraw/zinc/60/83/38/949608338.db2.gz DJIHFKQIBAVCLC-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575546138 949609620 /nfs/dbraw/zinc/60/96/20/949609620.db2.gz OYABHNPHUJPKJV-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575546138 949609628 /nfs/dbraw/zinc/60/96/28/949609628.db2.gz OYABHNPHUJPKJV-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574713709 949609778 /nfs/dbraw/zinc/60/97/78/949609778.db2.gz BKESRNVSCIKMHD-GXSJLCMTSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574713709 949609789 /nfs/dbraw/zinc/60/97/89/949609789.db2.gz BKESRNVSCIKMHD-GXSJLCMTSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574476610 949610485 /nfs/dbraw/zinc/61/04/85/949610485.db2.gz FCPBEXHDJPOEGM-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574476610 949610497 /nfs/dbraw/zinc/61/04/97/949610497.db2.gz FCPBEXHDJPOEGM-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874652 949615378 /nfs/dbraw/zinc/61/53/78/949615378.db2.gz SYTCSGDRINDXEG-YPMHNXCESA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874652 949615390 /nfs/dbraw/zinc/61/53/90/949615390.db2.gz SYTCSGDRINDXEG-YPMHNXCESA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H](NC(=O)CC[C@H]1CCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575271292 949615482 /nfs/dbraw/zinc/61/54/82/949615482.db2.gz JHVWMKWWXVUFCU-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CC[C@H]1CCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575271292 949615496 /nfs/dbraw/zinc/61/54/96/949615496.db2.gz JHVWMKWWXVUFCU-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874779 949617631 /nfs/dbraw/zinc/61/76/31/949617631.db2.gz GWMZRKDHWXOUCB-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874779 949617643 /nfs/dbraw/zinc/61/76/43/949617643.db2.gz GWMZRKDHWXOUCB-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575271413 949620189 /nfs/dbraw/zinc/62/01/89/949620189.db2.gz KAWAXYNPNMGTGC-TZMCWYRMSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575271413 949620199 /nfs/dbraw/zinc/62/01/99/949620199.db2.gz KAWAXYNPNMGTGC-TZMCWYRMSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575271550 949620520 /nfs/dbraw/zinc/62/05/20/949620520.db2.gz KPBLHAPXFMDQGJ-QWRGUYRKSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575271550 949620527 /nfs/dbraw/zinc/62/05/27/949620527.db2.gz KPBLHAPXFMDQGJ-QWRGUYRKSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCCOC1 ZINC001575547177 949620843 /nfs/dbraw/zinc/62/08/43/949620843.db2.gz VQDTZGVXGXRCTB-GOSISDBHSA-N -1 3 387.444 0.686 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCCOC1 ZINC001575547177 949620852 /nfs/dbraw/zinc/62/08/52/949620852.db2.gz VQDTZGVXGXRCTB-GOSISDBHSA-N -1 3 387.444 0.686 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574714138 949622470 /nfs/dbraw/zinc/62/24/70/949622470.db2.gz CLSCZLHCDHLUIZ-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574714138 949622478 /nfs/dbraw/zinc/62/24/78/949622478.db2.gz CLSCZLHCDHLUIZ-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@](CNC(=O)[C@]12C[C@H]1COC2)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574957616 949624373 /nfs/dbraw/zinc/62/43/73/949624373.db2.gz CSGGYMUZMBQGIG-RZAIGCCYSA-N -1 3 385.428 0.246 20 0 GCADHM C[C@](CNC(=O)[C@]12C[C@H]1COC2)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574957616 949624389 /nfs/dbraw/zinc/62/43/89/949624389.db2.gz CSGGYMUZMBQGIG-RZAIGCCYSA-N -1 3 385.428 0.246 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576168019 949625280 /nfs/dbraw/zinc/62/52/80/949625280.db2.gz RZYGLJDJDKVIAF-ZDUSSCGKSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576168019 949625296 /nfs/dbraw/zinc/62/52/96/949625296.db2.gz RZYGLJDJDKVIAF-ZDUSSCGKSA-N -1 3 388.476 0.600 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)C(=O)N1CCC[C@H](C)C1 ZINC001576168027 949627840 /nfs/dbraw/zinc/62/78/40/949627840.db2.gz SAJDOMRUFOXKFH-STQMWFEESA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)C(=O)N1CCC[C@H](C)C1 ZINC001576168027 949627852 /nfs/dbraw/zinc/62/78/52/949627852.db2.gz SAJDOMRUFOXKFH-STQMWFEESA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574957708 949627744 /nfs/dbraw/zinc/62/77/44/949627744.db2.gz GMOITVVPFKHADT-UKTARXLSSA-N -1 3 387.444 0.254 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574957708 949627756 /nfs/dbraw/zinc/62/77/56/949627756.db2.gz GMOITVVPFKHADT-UKTARXLSSA-N -1 3 387.444 0.254 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575271830 949629091 /nfs/dbraw/zinc/62/90/91/949629091.db2.gz MTBVXZNYDMCXCB-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574476923 949629118 /nfs/dbraw/zinc/62/91/18/949629118.db2.gz LXWSQOCYMOKSCX-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574476923 949629134 /nfs/dbraw/zinc/62/91/34/949629134.db2.gz LXWSQOCYMOKSCX-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575271830 949629097 /nfs/dbraw/zinc/62/90/97/949629097.db2.gz MTBVXZNYDMCXCB-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM CC(C)(C)[C@@H](CNCc1nncs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573813282 949630422 /nfs/dbraw/zinc/63/04/22/949630422.db2.gz XWZMAYFHXLYDQV-LLVKDONJSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575272078 949632224 /nfs/dbraw/zinc/63/22/24/949632224.db2.gz NGCOZJAKWJVCEW-RYUDHWBXSA-N -1 3 392.439 0.428 20 0 GCADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575272078 949632237 /nfs/dbraw/zinc/63/22/37/949632237.db2.gz NGCOZJAKWJVCEW-RYUDHWBXSA-N -1 3 392.439 0.428 20 0 GCADHM CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)CC1 ZINC001575547655 949636464 /nfs/dbraw/zinc/63/64/64/949636464.db2.gz AZYYSFSZOKTQCR-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)C2)CC1 ZINC001575547655 949636474 /nfs/dbraw/zinc/63/64/74/949636474.db2.gz AZYYSFSZOKTQCR-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715033 949636541 /nfs/dbraw/zinc/63/65/41/949636541.db2.gz AANOAWPPHLRTQV-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715033 949636556 /nfs/dbraw/zinc/63/65/56/949636556.db2.gz AANOAWPPHLRTQV-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCC1 ZINC001575547678 949636628 /nfs/dbraw/zinc/63/66/28/949636628.db2.gz CCHJKJKNFWBPIP-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCO[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCC1 ZINC001575547678 949636642 /nfs/dbraw/zinc/63/66/42/949636642.db2.gz CCHJKJKNFWBPIP-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574477105 949637325 /nfs/dbraw/zinc/63/73/25/949637325.db2.gz OQTYUWBRYNUTJD-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574477105 949637333 /nfs/dbraw/zinc/63/73/33/949637333.db2.gz OQTYUWBRYNUTJD-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576168372 949637397 /nfs/dbraw/zinc/63/73/97/949637397.db2.gz GPTHGSPWFRFKNU-OCCSQVGLSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576168372 949637410 /nfs/dbraw/zinc/63/74/10/949637410.db2.gz GPTHGSPWFRFKNU-OCCSQVGLSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576168381 949637842 /nfs/dbraw/zinc/63/78/42/949637842.db2.gz GRLDXLVZFOUKKD-WCQYABFASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576168381 949637862 /nfs/dbraw/zinc/63/78/62/949637862.db2.gz GRLDXLVZFOUKKD-WCQYABFASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575547761 949638865 /nfs/dbraw/zinc/63/88/65/949638865.db2.gz GNPLHDGSSDESDF-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575547761 949638884 /nfs/dbraw/zinc/63/88/84/949638884.db2.gz GNPLHDGSSDESDF-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CCC(=O)NC1 ZINC001575547732 949639167 /nfs/dbraw/zinc/63/91/67/949639167.db2.gz FSRTXUGSDSVTAR-PIGZYNQJSA-N -1 3 388.407 0.330 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CCC(=O)NC1 ZINC001575547732 949639179 /nfs/dbraw/zinc/63/91/79/949639179.db2.gz FSRTXUGSDSVTAR-PIGZYNQJSA-N -1 3 388.407 0.330 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCn1cnnn1 ZINC001573814295 949640289 /nfs/dbraw/zinc/64/02/89/949640289.db2.gz CZBOOMCDIDTGRH-ZDUSSCGKSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CCn1cnnn1 ZINC001573814295 949640306 /nfs/dbraw/zinc/64/03/06/949640306.db2.gz CZBOOMCDIDTGRH-ZDUSSCGKSA-N -1 3 385.436 0.281 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575547758 949640894 /nfs/dbraw/zinc/64/08/94/949640894.db2.gz GNPLHDGSSDESDF-ACJLOTCBSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575547758 949640907 /nfs/dbraw/zinc/64/09/07/949640907.db2.gz GNPLHDGSSDESDF-ACJLOTCBSA-N -1 3 384.444 0.581 20 0 GCADHM CC1(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575547826 949643165 /nfs/dbraw/zinc/64/31/65/949643165.db2.gz MOHZGIPQFYSZIT-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575547826 949643181 /nfs/dbraw/zinc/64/31/81/949643181.db2.gz MOHZGIPQFYSZIT-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCN(CCNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCC1 ZINC001575547794 949644726 /nfs/dbraw/zinc/64/47/26/949644726.db2.gz JGOYTISKCMFRSV-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM CC1(C(=O)N2CCN(CCNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCC1 ZINC001575547794 949644735 /nfs/dbraw/zinc/64/47/35/949644735.db2.gz JGOYTISKCMFRSV-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1COCCO1 ZINC001573814722 949645042 /nfs/dbraw/zinc/64/50/42/949645042.db2.gz FGJTVMJAKJQPTH-UONOGXRCSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1COCCO1 ZINC001573814722 949645053 /nfs/dbraw/zinc/64/50/53/949645053.db2.gz FGJTVMJAKJQPTH-UONOGXRCSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001574477250 949646770 /nfs/dbraw/zinc/64/67/70/949646770.db2.gz MOHSUXCDABSMAC-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001574477250 949646784 /nfs/dbraw/zinc/64/67/84/949646784.db2.gz MOHSUXCDABSMAC-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM CC(C)N(CCN(C)c1ncccc1-c1nnn[n-]1)C(=O)C[C@H](C)NC(N)=O ZINC001574477364 949650418 /nfs/dbraw/zinc/65/04/18/949650418.db2.gz NGMTUHCKKWRWMM-LBPRGKRZSA-N -1 3 389.464 0.382 20 0 GCADHM CC(C)N(CCN(C)c1ncccc1-c1nn[n-]n1)C(=O)C[C@H](C)NC(N)=O ZINC001574477364 949650425 /nfs/dbraw/zinc/65/04/25/949650425.db2.gz NGMTUHCKKWRWMM-LBPRGKRZSA-N -1 3 389.464 0.382 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575272725 949650795 /nfs/dbraw/zinc/65/07/95/949650795.db2.gz SBXKDRQLKZEGBN-SNVBAGLBSA-N -1 3 390.423 0.001 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575272685 949652042 /nfs/dbraw/zinc/65/20/42/949652042.db2.gz RRAMNZFCVONJQR-GXFFZTMASA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575272685 949652055 /nfs/dbraw/zinc/65/20/55/949652055.db2.gz RRAMNZFCVONJQR-GXFFZTMASA-N -1 3 379.396 0.290 20 0 GCADHM CC1(C(=O)N2CCN([C@H]3CCN(c4ccc(-c5nnn[n-]5)nn4)C3)CC2)CC1 ZINC001575548082 949655020 /nfs/dbraw/zinc/65/50/20/949655020.db2.gz QNRRJZYCMNRJCK-ZDUSSCGKSA-N -1 3 383.460 0.180 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccncc1 ZINC001574477387 949655573 /nfs/dbraw/zinc/65/55/73/949655573.db2.gz NRGRKIYXNAPYPV-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccncc1 ZINC001574477387 949655585 /nfs/dbraw/zinc/65/55/85/949655585.db2.gz NRGRKIYXNAPYPV-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574958210 949656790 /nfs/dbraw/zinc/65/67/90/949656790.db2.gz OCSCOSPINYFDKP-ATVPRXPUSA-N -1 3 387.444 0.254 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574958210 949656811 /nfs/dbraw/zinc/65/68/11/949656811.db2.gz OCSCOSPINYFDKP-ATVPRXPUSA-N -1 3 387.444 0.254 20 0 GCADHM CC(C)(C)[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573815769 949657983 /nfs/dbraw/zinc/65/79/83/949657983.db2.gz KBSAURMOJYAYDD-NWDGAFQWSA-N -1 3 390.423 0.630 20 0 GCADHM CC(C)(C)[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573815769 949657994 /nfs/dbraw/zinc/65/79/94/949657994.db2.gz KBSAURMOJYAYDD-NWDGAFQWSA-N -1 3 390.423 0.630 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575877165 949658274 /nfs/dbraw/zinc/65/82/74/949658274.db2.gz KYQGHHPEWABARO-OCCSQVGLSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575877165 949658282 /nfs/dbraw/zinc/65/82/82/949658282.db2.gz KYQGHHPEWABARO-OCCSQVGLSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575877163 949658857 /nfs/dbraw/zinc/65/88/57/949658857.db2.gz KYQGHHPEWABARO-JSGCOSHPSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575877163 949658868 /nfs/dbraw/zinc/65/88/68/949658868.db2.gz KYQGHHPEWABARO-JSGCOSHPSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574715673 949659440 /nfs/dbraw/zinc/65/94/40/949659440.db2.gz DPODVEHKZPSLEE-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574715673 949659454 /nfs/dbraw/zinc/65/94/54/949659454.db2.gz DPODVEHKZPSLEE-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](CC(=O)N(C)CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574477472 949660301 /nfs/dbraw/zinc/66/03/01/949660301.db2.gz RNEQHJGHTIRUQC-LBPRGKRZSA-N -1 3 385.432 0.621 20 0 GCADHM C[C@@H](CC(=O)N(C)CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574477472 949660308 /nfs/dbraw/zinc/66/03/08/949660308.db2.gz RNEQHJGHTIRUQC-LBPRGKRZSA-N -1 3 385.432 0.621 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574477506 949660486 /nfs/dbraw/zinc/66/04/86/949660486.db2.gz RULQOUCJMHJCOQ-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNc3ncccc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575548156 949660545 /nfs/dbraw/zinc/66/05/45/949660545.db2.gz RXOPVMKIXPFZFU-CYBMUJFWSA-N -1 3 387.444 0.718 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNc3ncccc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575548156 949660556 /nfs/dbraw/zinc/66/05/56/949660556.db2.gz RXOPVMKIXPFZFU-CYBMUJFWSA-N -1 3 387.444 0.718 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574131648 949665663 /nfs/dbraw/zinc/66/56/63/949665663.db2.gz JCEZNPHLFOJOHX-OCCSQVGLSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574131648 949665676 /nfs/dbraw/zinc/66/56/76/949665676.db2.gz JCEZNPHLFOJOHX-OCCSQVGLSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575877656 949667538 /nfs/dbraw/zinc/66/75/38/949667538.db2.gz MGCWNPBGWHVWOX-OCCSQVGLSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575877656 949667545 /nfs/dbraw/zinc/66/75/45/949667545.db2.gz MGCWNPBGWHVWOX-OCCSQVGLSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575877659 949668222 /nfs/dbraw/zinc/66/82/22/949668222.db2.gz MGCWNPBGWHVWOX-TZMCWYRMSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575877659 949668238 /nfs/dbraw/zinc/66/82/38/949668238.db2.gz MGCWNPBGWHVWOX-TZMCWYRMSA-N -1 3 382.432 0.417 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@@H]1CCNC1=O ZINC001573816185 949669177 /nfs/dbraw/zinc/66/91/77/949669177.db2.gz PMUNKUYEMCSHKX-FZMZJTMJSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@@H]1CCNC1=O ZINC001573816185 949669190 /nfs/dbraw/zinc/66/91/90/949669190.db2.gz PMUNKUYEMCSHKX-FZMZJTMJSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@H]1CCNC1=O ZINC001573816186 949669305 /nfs/dbraw/zinc/66/93/05/949669305.db2.gz PMUNKUYEMCSHKX-RISCZKNCSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@H]1CCNC1=O ZINC001573816186 949669316 /nfs/dbraw/zinc/66/93/16/949669316.db2.gz PMUNKUYEMCSHKX-RISCZKNCSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574132032 949673500 /nfs/dbraw/zinc/67/35/00/949673500.db2.gz PCCOJHKGJPSZMY-CHWSQXEVSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574132032 949673510 /nfs/dbraw/zinc/67/35/10/949673510.db2.gz PCCOJHKGJPSZMY-CHWSQXEVSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878212 949675304 /nfs/dbraw/zinc/67/53/04/949675304.db2.gz OBDHJXNBHHXVGM-GHMZBOCLSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878212 949675315 /nfs/dbraw/zinc/67/53/15/949675315.db2.gz OBDHJXNBHHXVGM-GHMZBOCLSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001574477708 949675964 /nfs/dbraw/zinc/67/59/64/949675964.db2.gz UJPXFZOGJNXLOH-SMDDNHRTSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001574477708 949675977 /nfs/dbraw/zinc/67/59/77/949675977.db2.gz UJPXFZOGJNXLOH-SMDDNHRTSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878163 949676779 /nfs/dbraw/zinc/67/67/79/949676779.db2.gz NOSJBOCCPKILSS-CHWSQXEVSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878163 949676789 /nfs/dbraw/zinc/67/67/89/949676789.db2.gz NOSJBOCCPKILSS-CHWSQXEVSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878785 949681076 /nfs/dbraw/zinc/68/10/76/949681076.db2.gz PCFVZCNYUOTVTI-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878785 949681088 /nfs/dbraw/zinc/68/10/88/949681088.db2.gz PCFVZCNYUOTVTI-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575878762 949681687 /nfs/dbraw/zinc/68/16/87/949681687.db2.gz OXTMOGRYISQPBO-FZMZJTMJSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575878762 949681697 /nfs/dbraw/zinc/68/16/97/949681697.db2.gz OXTMOGRYISQPBO-FZMZJTMJSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575552688 949681866 /nfs/dbraw/zinc/68/18/66/949681866.db2.gz HRVQZQGZNFKWQE-ZBEGNZNMSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575552688 949681879 /nfs/dbraw/zinc/68/18/79/949681879.db2.gz HRVQZQGZNFKWQE-ZBEGNZNMSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574716288 949682454 /nfs/dbraw/zinc/68/24/54/949682454.db2.gz IKRNKIMUYLBUKR-VHSXEESVSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574716288 949682469 /nfs/dbraw/zinc/68/24/69/949682469.db2.gz IKRNKIMUYLBUKR-VHSXEESVSA-N -1 3 392.851 0.700 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574132254 949683754 /nfs/dbraw/zinc/68/37/54/949683754.db2.gz UJXJJCHVOANWIK-OCCSQVGLSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574132254 949683771 /nfs/dbraw/zinc/68/37/71/949683771.db2.gz UJXJJCHVOANWIK-OCCSQVGLSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574132255 949684786 /nfs/dbraw/zinc/68/47/86/949684786.db2.gz UJXJJCHVOANWIK-TZMCWYRMSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574132255 949684797 /nfs/dbraw/zinc/68/47/97/949684797.db2.gz UJXJJCHVOANWIK-TZMCWYRMSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574477995 949687184 /nfs/dbraw/zinc/68/71/84/949687184.db2.gz UDNPAFZQHWFARA-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574132271 949687186 /nfs/dbraw/zinc/68/71/86/949687186.db2.gz UPZLYOPYUBNQFZ-CHWSQXEVSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574132271 949687193 /nfs/dbraw/zinc/68/71/93/949687193.db2.gz UPZLYOPYUBNQFZ-CHWSQXEVSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001574477995 949687195 /nfs/dbraw/zinc/68/71/95/949687195.db2.gz UDNPAFZQHWFARA-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575879684 949689644 /nfs/dbraw/zinc/68/96/44/949689644.db2.gz REQNTPPUMRELCG-BXUZGUMPSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575879684 949689661 /nfs/dbraw/zinc/68/96/61/949689661.db2.gz REQNTPPUMRELCG-BXUZGUMPSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574477946 949689745 /nfs/dbraw/zinc/68/97/45/949689745.db2.gz WMJFLPNTDSHDRN-DGCLKSJQSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574477946 949689759 /nfs/dbraw/zinc/68/97/59/949689759.db2.gz WMJFLPNTDSHDRN-DGCLKSJQSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]3C2)CCCOC1 ZINC001575553725 949692283 /nfs/dbraw/zinc/69/22/83/949692283.db2.gz PBWUBSLQEBJXEJ-ZRGWGRIASA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)CCCOC1 ZINC001575553725 949692294 /nfs/dbraw/zinc/69/22/94/949692294.db2.gz PBWUBSLQEBJXEJ-ZRGWGRIASA-N -1 3 383.456 0.973 20 0 GCADHM CC(C)CC(C)(C)C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574132368 949693252 /nfs/dbraw/zinc/69/32/52/949693252.db2.gz YCUGOETWFKISSF-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)CC(C)(C)C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574132368 949693263 /nfs/dbraw/zinc/69/32/63/949693263.db2.gz YCUGOETWFKISSF-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574716445 949693181 /nfs/dbraw/zinc/69/31/81/949693181.db2.gz OQRAFDDDKDQPOV-MNOVXSKESA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574716445 949693199 /nfs/dbraw/zinc/69/31/99/949693199.db2.gz OQRAFDDDKDQPOV-MNOVXSKESA-N -1 3 375.408 0.933 20 0 GCADHM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]3C2)CCOCC1 ZINC001575554451 949696385 /nfs/dbraw/zinc/69/63/85/949696385.db2.gz SLXFOEZKZGCAJO-GASCZTMLSA-N -1 3 383.456 0.973 20 0 GCADHM CC1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)CCOCC1 ZINC001575554451 949696398 /nfs/dbraw/zinc/69/63/98/949696398.db2.gz SLXFOEZKZGCAJO-GASCZTMLSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574716594 949697937 /nfs/dbraw/zinc/69/79/37/949697937.db2.gz KWMNYNNQZYMVKG-LLVKDONJSA-N -1 3 392.439 0.918 20 0 GCADHM C[C@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574716594 949697947 /nfs/dbraw/zinc/69/79/47/949697947.db2.gz KWMNYNNQZYMVKG-LLVKDONJSA-N -1 3 392.439 0.918 20 0 GCADHM C[C@@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716597 949700218 /nfs/dbraw/zinc/70/02/18/949700218.db2.gz KXLPYPLCPZRSMG-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716597 949700225 /nfs/dbraw/zinc/70/02/25/949700225.db2.gz KXLPYPLCPZRSMG-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](NC(=O)CCc1cncn1C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575275517 949700256 /nfs/dbraw/zinc/70/02/56/949700256.db2.gz DRTDRZIPXCSWCS-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575880203 949700576 /nfs/dbraw/zinc/70/05/76/949700576.db2.gz SFGIGAJOUWRCQJ-SCZZXKLOSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575880203 949700584 /nfs/dbraw/zinc/70/05/84/949700584.db2.gz SFGIGAJOUWRCQJ-SCZZXKLOSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575275802 949700962 /nfs/dbraw/zinc/70/09/62/949700962.db2.gz DTAPWZSKEIDFKY-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575275802 949700981 /nfs/dbraw/zinc/70/09/81/949700981.db2.gz DTAPWZSKEIDFKY-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575555243 949701428 /nfs/dbraw/zinc/70/14/28/949701428.db2.gz XTPVXADUUMNDGF-AGRHKRQWSA-N -1 3 399.455 0.732 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575555243 949701439 /nfs/dbraw/zinc/70/14/39/949701439.db2.gz XTPVXADUUMNDGF-AGRHKRQWSA-N -1 3 399.455 0.732 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575555140 949703800 /nfs/dbraw/zinc/70/38/00/949703800.db2.gz WIGLJMKBLOJZFD-BLLLJJGKSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575555140 949703813 /nfs/dbraw/zinc/70/38/13/949703813.db2.gz WIGLJMKBLOJZFD-BLLLJJGKSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575557147 949706127 /nfs/dbraw/zinc/70/61/27/949706127.db2.gz BOFPKKVJDWJENZ-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCOC1 ZINC001575557147 949706142 /nfs/dbraw/zinc/70/61/42/949706142.db2.gz BOFPKKVJDWJENZ-RDTXWAMCSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1ccon1 ZINC001576170183 949708474 /nfs/dbraw/zinc/70/84/74/949708474.db2.gz JLZARPNYQYHSJQ-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1ccon1 ZINC001576170183 949708500 /nfs/dbraw/zinc/70/85/00/949708500.db2.gz JLZARPNYQYHSJQ-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCc1nccn1C ZINC001575276139 949709572 /nfs/dbraw/zinc/70/95/72/949709572.db2.gz GVRQCMSLMAZYCX-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCc1nccn1C ZINC001575276139 949709583 /nfs/dbraw/zinc/70/95/83/949709583.db2.gz GVRQCMSLMAZYCX-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCCO1 ZINC001574478568 949712927 /nfs/dbraw/zinc/71/29/27/949712927.db2.gz YZYYYCVHFYIMFS-CJNGLKHVSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCCO1 ZINC001574478568 949712940 /nfs/dbraw/zinc/71/29/40/949712940.db2.gz YZYYYCVHFYIMFS-CJNGLKHVSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@@]3(C)C2)CCOC1 ZINC001575557275 949714296 /nfs/dbraw/zinc/71/42/96/949714296.db2.gz GBPXYMOAHOCKSP-ZNOIYHFQSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@@]3(C)C2)CCOC1 ZINC001575557275 949714315 /nfs/dbraw/zinc/71/43/15/949714315.db2.gz GBPXYMOAHOCKSP-ZNOIYHFQSA-N -1 3 383.456 0.973 20 0 GCADHM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575557341 949715094 /nfs/dbraw/zinc/71/50/94/949715094.db2.gz HSWZRKZMYQHHQD-IMRBUKKESA-N -1 3 385.428 0.198 20 0 GCADHM CC1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575557341 949715103 /nfs/dbraw/zinc/71/51/03/949715103.db2.gz HSWZRKZMYQHHQD-IMRBUKKESA-N -1 3 385.428 0.198 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@@]3(C)C2)CCOC1 ZINC001575557274 949715777 /nfs/dbraw/zinc/71/57/77/949715777.db2.gz GBPXYMOAHOCKSP-VMDGZTHMSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@@]3(C)C2)CCOC1 ZINC001575557274 949715797 /nfs/dbraw/zinc/71/57/97/949715797.db2.gz GBPXYMOAHOCKSP-VMDGZTHMSA-N -1 3 383.456 0.973 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001575557296 949716325 /nfs/dbraw/zinc/71/63/25/949716325.db2.gz GMAWMDHZGCHABW-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001575557296 949716332 /nfs/dbraw/zinc/71/63/32/949716332.db2.gz GMAWMDHZGCHABW-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@@H]1CCCO1 ZINC001574478650 949719248 /nfs/dbraw/zinc/71/92/48/949719248.db2.gz ZZZDAJGKVKAKKN-HIFRSBDPSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@@H]1CCCO1 ZINC001574478650 949719257 /nfs/dbraw/zinc/71/92/57/949719257.db2.gz ZZZDAJGKVKAKKN-HIFRSBDPSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881536 949721735 /nfs/dbraw/zinc/72/17/35/949721735.db2.gz YXIHEMZYZNRGQC-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881536 949721759 /nfs/dbraw/zinc/72/17/59/949721759.db2.gz YXIHEMZYZNRGQC-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H](NC(=O)CCc1ccon1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575276352 949722727 /nfs/dbraw/zinc/72/27/27/949722727.db2.gz IZCDTWRPISKDTO-JTQLQIEISA-N -1 3 384.400 0.392 20 0 GCADHM C[C@H](NC(=O)CCc1ccon1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575276352 949722743 /nfs/dbraw/zinc/72/27/43/949722743.db2.gz IZCDTWRPISKDTO-JTQLQIEISA-N -1 3 384.400 0.392 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H](C)n1ccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574717045 949722918 /nfs/dbraw/zinc/72/29/18/949722918.db2.gz SPQKXRPGDFESQF-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC(F)F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575881522 949723659 /nfs/dbraw/zinc/72/36/59/949723659.db2.gz YULILBKQXSZKNQ-WCBMZHEXSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC(F)F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575881522 949723678 /nfs/dbraw/zinc/72/36/78/949723678.db2.gz YULILBKQXSZKNQ-WCBMZHEXSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ncccc1-c1nnn[n-]1 ZINC001574717008 949724674 /nfs/dbraw/zinc/72/46/74/949724674.db2.gz NPKUKTPPPFGSGD-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ncccc1-c1nn[n-]n1 ZINC001574717008 949724686 /nfs/dbraw/zinc/72/46/86/949724686.db2.gz NPKUKTPPPFGSGD-XIKOKIGWSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCC[C@H](C)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576170526 949725669 /nfs/dbraw/zinc/72/56/69/949725669.db2.gz LZGHMFWRCWLAPR-QWHCGFSZSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCC[C@H](C)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576170526 949725697 /nfs/dbraw/zinc/72/56/97/949725697.db2.gz LZGHMFWRCWLAPR-QWHCGFSZSA-N -1 3 388.476 0.503 20 0 GCADHM CC1(C(=O)N[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCOCC1 ZINC001575557653 949725914 /nfs/dbraw/zinc/72/59/14/949725914.db2.gz KWQCNVSULFTQTB-AWEZNQCLSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCOCC1 ZINC001575557653 949725932 /nfs/dbraw/zinc/72/59/32/949725932.db2.gz KWQCNVSULFTQTB-AWEZNQCLSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881538 949725916 /nfs/dbraw/zinc/72/59/16/949725916.db2.gz YXIHEMZYZNRGQC-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881538 949725933 /nfs/dbraw/zinc/72/59/33/949725933.db2.gz YXIHEMZYZNRGQC-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM CC1(C(=O)NC2(CCO)CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCC1 ZINC001575557702 949727185 /nfs/dbraw/zinc/72/71/85/949727185.db2.gz LSBYHYCHADPDOH-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NC2(CCO)CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCC1 ZINC001575557702 949727203 /nfs/dbraw/zinc/72/72/03/949727203.db2.gz LSBYHYCHADPDOH-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881700 949727983 /nfs/dbraw/zinc/72/79/83/949727983.db2.gz ZSKIAOXAOYMZHD-ZYHUDNBSSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881700 949728002 /nfs/dbraw/zinc/72/80/02/949728002.db2.gz ZSKIAOXAOYMZHD-ZYHUDNBSSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)c1cnon1 ZINC001576170647 949728499 /nfs/dbraw/zinc/72/84/99/949728499.db2.gz MHOXCDYUMWFFMS-ZANVPECISA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1cnon1 ZINC001576170647 949728517 /nfs/dbraw/zinc/72/85/17/949728517.db2.gz MHOXCDYUMWFFMS-ZANVPECISA-N -1 3 385.388 0.249 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574135710 949731817 /nfs/dbraw/zinc/73/18/17/949731817.db2.gz LRKCUKLPZFKCDO-JSGCOSHPSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574135710 949731824 /nfs/dbraw/zinc/73/18/24/949731824.db2.gz LRKCUKLPZFKCDO-JSGCOSHPSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCC[C@@H](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576170676 949733801 /nfs/dbraw/zinc/73/38/01/949733801.db2.gz NBUZMEQQAXLJBF-CHWSQXEVSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881794 949734899 /nfs/dbraw/zinc/73/48/99/949734899.db2.gz AXRHSUSZOZJZCG-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2c[nH]cn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881765 949735010 /nfs/dbraw/zinc/73/50/10/949735010.db2.gz APVDWJMZCKXBSG-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574479390 949737836 /nfs/dbraw/zinc/73/78/36/949737836.db2.gz DYAURFUIPBJZEQ-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574479390 949737857 /nfs/dbraw/zinc/73/78/57/949737857.db2.gz DYAURFUIPBJZEQ-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576170979 949742945 /nfs/dbraw/zinc/74/29/45/949742945.db2.gz OLHPMWMLEBVXEA-YPMHNXCESA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576170979 949742955 /nfs/dbraw/zinc/74/29/55/949742955.db2.gz OLHPMWMLEBVXEA-YPMHNXCESA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](CC(=O)N1CCC(CNc2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574479731 949744345 /nfs/dbraw/zinc/74/43/45/949744345.db2.gz GKZKRIISHKYUEU-LLVKDONJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CCC(CNc2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574479731 949744363 /nfs/dbraw/zinc/74/43/63/949744363.db2.gz GKZKRIISHKYUEU-LLVKDONJSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881955 949744509 /nfs/dbraw/zinc/74/45/09/949744509.db2.gz DMZKWTAKOCIDNB-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881955 949744525 /nfs/dbraw/zinc/74/45/25/949744525.db2.gz DMZKWTAKOCIDNB-VXGBXAGGSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574480058 949744737 /nfs/dbraw/zinc/74/47/37/949744737.db2.gz GSGZFJXXONGMBR-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574480058 949744750 /nfs/dbraw/zinc/74/47/50/949744750.db2.gz GSGZFJXXONGMBR-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](NC(=O)CCc1cncn1C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575277310 949746093 /nfs/dbraw/zinc/74/60/93/949746093.db2.gz PWZNTTXPGODCSM-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1cncn1C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575277310 949746112 /nfs/dbraw/zinc/74/61/12/949746112.db2.gz PWZNTTXPGODCSM-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001576171018 949746537 /nfs/dbraw/zinc/74/65/37/949746537.db2.gz OQHODIKHDVQAHS-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001576171018 949746555 /nfs/dbraw/zinc/74/65/55/949746555.db2.gz OQHODIKHDVQAHS-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277194 949746475 /nfs/dbraw/zinc/74/64/75/949746475.db2.gz ORNBNVOMZJOKQK-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277194 949746492 /nfs/dbraw/zinc/74/64/92/949746492.db2.gz ORNBNVOMZJOKQK-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)c1ccn[nH]1 ZINC001576171016 949746660 /nfs/dbraw/zinc/74/66/60/949746660.db2.gz OQHODIKHDVQAHS-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1ccn[nH]1 ZINC001576171016 949746674 /nfs/dbraw/zinc/74/66/74/949746674.db2.gz OQHODIKHDVQAHS-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](NC(=O)CCc1cncn1C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575277306 949747627 /nfs/dbraw/zinc/74/76/27/949747627.db2.gz PWZNTTXPGODCSM-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1cncn1C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575277306 949747641 /nfs/dbraw/zinc/74/76/41/949747641.db2.gz PWZNTTXPGODCSM-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574480414 949748646 /nfs/dbraw/zinc/74/86/46/949748646.db2.gz IGXYEFKZYZYCFZ-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574480414 949748668 /nfs/dbraw/zinc/74/86/68/949748668.db2.gz IGXYEFKZYZYCFZ-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM CC1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCC1 ZINC001575559187 949750501 /nfs/dbraw/zinc/75/05/01/949750501.db2.gz VBCXUNZDVYURCF-LLVKDONJSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCC1 ZINC001575559187 949750520 /nfs/dbraw/zinc/75/05/20/949750520.db2.gz VBCXUNZDVYURCF-LLVKDONJSA-N -1 3 375.433 0.372 20 0 GCADHM C[C@H](NC(=O)CCc1ccccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277834 949754304 /nfs/dbraw/zinc/75/43/04/949754304.db2.gz RRCOYVHOCLQXTI-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](NC(=O)CCc1ccccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277834 949754319 /nfs/dbraw/zinc/75/43/19/949754319.db2.gz RRCOYVHOCLQXTI-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575882077 949754418 /nfs/dbraw/zinc/75/44/18/949754418.db2.gz GAPDYAPAEYFGSY-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575882077 949754433 /nfs/dbraw/zinc/75/44/33/949754433.db2.gz GAPDYAPAEYFGSY-IUODEOHRSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574963607 949754939 /nfs/dbraw/zinc/75/49/39/949754939.db2.gz KAMAVCIDHZPICO-GZMMTYOYSA-N -1 3 378.824 0.358 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574963607 949754952 /nfs/dbraw/zinc/75/49/52/949754952.db2.gz KAMAVCIDHZPICO-GZMMTYOYSA-N -1 3 378.824 0.358 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1ccccn1 ZINC001575277832 949755975 /nfs/dbraw/zinc/75/59/75/949755975.db2.gz RRCOYVHOCLQXTI-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1ccccn1 ZINC001575277832 949755989 /nfs/dbraw/zinc/75/59/89/949755989.db2.gz RRCOYVHOCLQXTI-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576171319 949756494 /nfs/dbraw/zinc/75/64/94/949756494.db2.gz QGLXBNVQFLSRLS-STQMWFEESA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576171319 949756515 /nfs/dbraw/zinc/75/65/15/949756515.db2.gz QGLXBNVQFLSRLS-STQMWFEESA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC(N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576171272 949758928 /nfs/dbraw/zinc/75/89/28/949758928.db2.gz QAQIINQGKUMEAD-LBPRGKRZSA-N -1 3 386.460 0.210 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC(N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576171272 949758948 /nfs/dbraw/zinc/75/89/48/949758948.db2.gz QAQIINQGKUMEAD-LBPRGKRZSA-N -1 3 386.460 0.210 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574480876 949759055 /nfs/dbraw/zinc/75/90/55/949759055.db2.gz KWMIEDUBHNUFDL-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574480931 949763182 /nfs/dbraw/zinc/76/31/82/949763182.db2.gz LOPQFPGXVNRJGU-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574480931 949763199 /nfs/dbraw/zinc/76/31/99/949763199.db2.gz LOPQFPGXVNRJGU-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574137549 949765115 /nfs/dbraw/zinc/76/51/15/949765115.db2.gz VQERWKGCHGLLTJ-QWHCGFSZSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574137549 949765125 /nfs/dbraw/zinc/76/51/25/949765125.db2.gz VQERWKGCHGLLTJ-QWHCGFSZSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CC(C)(C)CO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718219 949765246 /nfs/dbraw/zinc/76/52/46/949765246.db2.gz ZLHNMZDRBATDIX-DGCLKSJQSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CC(C)(C)CO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718219 949765259 /nfs/dbraw/zinc/76/52/59/949765259.db2.gz ZLHNMZDRBATDIX-DGCLKSJQSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)CCc1ncccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575278776 949768025 /nfs/dbraw/zinc/76/80/25/949768025.db2.gz VLMXMACLZUQIMI-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1ncccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575278776 949768042 /nfs/dbraw/zinc/76/80/42/949768042.db2.gz VLMXMACLZUQIMI-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1ncccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575278778 949769132 /nfs/dbraw/zinc/76/91/32/949769132.db2.gz VLMXMACLZUQIMI-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1ncccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575278778 949769147 /nfs/dbraw/zinc/76/91/47/949769147.db2.gz VLMXMACLZUQIMI-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574964281 949769782 /nfs/dbraw/zinc/76/97/82/949769782.db2.gz SWRLTYHLMYGRSR-ZYHUDNBSSA-N -1 3 375.408 0.615 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574964281 949769804 /nfs/dbraw/zinc/76/98/04/949769804.db2.gz SWRLTYHLMYGRSR-ZYHUDNBSSA-N -1 3 375.408 0.615 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576171651 949771516 /nfs/dbraw/zinc/77/15/16/949771516.db2.gz QWRVNVKMXPSLMB-JSGCOSHPSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576171651 949771540 /nfs/dbraw/zinc/77/15/40/949771540.db2.gz QWRVNVKMXPSLMB-JSGCOSHPSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnsn1 ZINC001575882398 949772638 /nfs/dbraw/zinc/77/26/38/949772638.db2.gz KCDCAMCFGYMMCE-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnsn1 ZINC001575882398 949772647 /nfs/dbraw/zinc/77/26/47/949772647.db2.gz KCDCAMCFGYMMCE-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574964397 949777237 /nfs/dbraw/zinc/77/72/37/949777237.db2.gz VMJRKARBOAWALR-AXFHLTTASA-N -1 3 390.423 0.243 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574964397 949777250 /nfs/dbraw/zinc/77/72/50/949777250.db2.gz VMJRKARBOAWALR-AXFHLTTASA-N -1 3 390.423 0.243 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575560163 949780356 /nfs/dbraw/zinc/78/03/56/949780356.db2.gz LNKMROOIULHNEJ-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575560163 949780369 /nfs/dbraw/zinc/78/03/69/949780369.db2.gz LNKMROOIULHNEJ-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574481531 949782389 /nfs/dbraw/zinc/78/23/89/949782389.db2.gz QZTSJOAPDWWUEN-OLZOCXBDSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](N(C)c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574481531 949782403 /nfs/dbraw/zinc/78/24/03/949782403.db2.gz QZTSJOAPDWWUEN-OLZOCXBDSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574964892 949790047 /nfs/dbraw/zinc/79/00/47/949790047.db2.gz BQEHDUOGZZURIS-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574964892 949790059 /nfs/dbraw/zinc/79/00/59/949790059.db2.gz BQEHDUOGZZURIS-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccncn1 ZINC001575882808 949790803 /nfs/dbraw/zinc/79/08/03/949790803.db2.gz OAZRXDFHNIBUGS-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccncn1 ZINC001575882808 949790811 /nfs/dbraw/zinc/79/08/11/949790811.db2.gz OAZRXDFHNIBUGS-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2cccn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575882845 949790956 /nfs/dbraw/zinc/79/09/56/949790956.db2.gz ONWABVFFUIFDCR-BXUZGUMPSA-N -1 3 385.407 0.771 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2cccn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575882845 949790967 /nfs/dbraw/zinc/79/09/67/949790967.db2.gz ONWABVFFUIFDCR-BXUZGUMPSA-N -1 3 385.407 0.771 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575280873 949791297 /nfs/dbraw/zinc/79/12/97/949791297.db2.gz AYWBAHXDUBPVFU-GHMZBOCLSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575280873 949791309 /nfs/dbraw/zinc/79/13/09/949791309.db2.gz AYWBAHXDUBPVFU-GHMZBOCLSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccncn1 ZINC001575882806 949791521 /nfs/dbraw/zinc/79/15/21/949791521.db2.gz OAZRXDFHNIBUGS-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccncn1 ZINC001575882806 949791532 /nfs/dbraw/zinc/79/15/32/949791532.db2.gz OAZRXDFHNIBUGS-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2cccn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575882853 949792979 /nfs/dbraw/zinc/79/29/79/949792979.db2.gz ONWABVFFUIFDCR-SMDDNHRTSA-N -1 3 385.407 0.771 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2cccn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575882853 949792998 /nfs/dbraw/zinc/79/29/98/949792998.db2.gz ONWABVFFUIFDCR-SMDDNHRTSA-N -1 3 385.407 0.771 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481674 949795603 /nfs/dbraw/zinc/79/56/03/949795603.db2.gz TWSVCHCOBQQAQZ-QWRGUYRKSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481674 949795619 /nfs/dbraw/zinc/79/56/19/949795619.db2.gz TWSVCHCOBQQAQZ-QWRGUYRKSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575883028 949797555 /nfs/dbraw/zinc/79/75/55/949797555.db2.gz PDFUGMYODFHQMZ-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575883028 949797568 /nfs/dbraw/zinc/79/75/68/949797568.db2.gz PDFUGMYODFHQMZ-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575883034 949798538 /nfs/dbraw/zinc/79/85/38/949798538.db2.gz BUQPOUONEUVKHP-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575883034 949798556 /nfs/dbraw/zinc/79/85/56/949798556.db2.gz BUQPOUONEUVKHP-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575281159 949801733 /nfs/dbraw/zinc/80/17/33/949801733.db2.gz DIGFCYBMCKAJBS-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575281159 949801753 /nfs/dbraw/zinc/80/17/53/949801753.db2.gz DIGFCYBMCKAJBS-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)C1CCOCC1 ZINC001575883094 949802142 /nfs/dbraw/zinc/80/21/42/949802142.db2.gz CLFROTSFFFFIFQ-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)C1CCOCC1 ZINC001575883094 949802167 /nfs/dbraw/zinc/80/21/67/949802167.db2.gz CLFROTSFFFFIFQ-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573822819 949806196 /nfs/dbraw/zinc/80/61/96/949806196.db2.gz NQWPPZALKNXION-AAEUAGOBSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573822819 949806218 /nfs/dbraw/zinc/80/62/18/949806218.db2.gz NQWPPZALKNXION-AAEUAGOBSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575281430 949807276 /nfs/dbraw/zinc/80/72/76/949807276.db2.gz GBWRCYFAMFRAOW-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)COCC1CC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575281430 949807298 /nfs/dbraw/zinc/80/72/98/949807298.db2.gz GBWRCYFAMFRAOW-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721115 949810232 /nfs/dbraw/zinc/81/02/32/949810232.db2.gz JJWSOZAHWVQHCN-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721115 949810256 /nfs/dbraw/zinc/81/02/56/949810256.db2.gz JJWSOZAHWVQHCN-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172596 949810193 /nfs/dbraw/zinc/81/01/93/949810193.db2.gz XUWDXTXATJHCST-AAEUAGOBSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]n2)[C@H]1CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576172558 949810425 /nfs/dbraw/zinc/81/04/25/949810425.db2.gz XDPQRQILCICEBS-MFKMUULPSA-N -1 3 383.420 0.518 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574965738 949810527 /nfs/dbraw/zinc/81/05/27/949810527.db2.gz KOSSNSHGOQXZFE-ABKXIKBNSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574965738 949810551 /nfs/dbraw/zinc/81/05/51/949810551.db2.gz KOSSNSHGOQXZFE-ABKXIKBNSA-N -1 3 376.396 0.234 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1COCCO1 ZINC001573822815 949810665 /nfs/dbraw/zinc/81/06/65/949810665.db2.gz NNRKHSMGJDGBEF-QWHCGFSZSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1COCCO1 ZINC001573822815 949810689 /nfs/dbraw/zinc/81/06/89/949810689.db2.gz NNRKHSMGJDGBEF-QWHCGFSZSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574965747 949811415 /nfs/dbraw/zinc/81/14/15/949811415.db2.gz KWOJNDRIKXAWQR-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574965747 949811444 /nfs/dbraw/zinc/81/14/44/949811444.db2.gz KWOJNDRIKXAWQR-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576172575 949811981 /nfs/dbraw/zinc/81/19/81/949811981.db2.gz XMZVWZULUVAFGR-TZMCWYRMSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576172575 949812002 /nfs/dbraw/zinc/81/20/02/949812002.db2.gz XMZVWZULUVAFGR-TZMCWYRMSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574965729 949813638 /nfs/dbraw/zinc/81/36/38/949813638.db2.gz KIVNBUFNZWOOFC-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574965729 949813658 /nfs/dbraw/zinc/81/36/58/949813658.db2.gz KIVNBUFNZWOOFC-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481948 949815980 /nfs/dbraw/zinc/81/59/80/949815980.db2.gz XXJKTEIDJJXLSY-GHMZBOCLSA-N -1 3 390.423 0.713 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481948 949815999 /nfs/dbraw/zinc/81/59/99/949815999.db2.gz XXJKTEIDJJXLSY-GHMZBOCLSA-N -1 3 390.423 0.713 20 0 GCADHM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574965834 949816552 /nfs/dbraw/zinc/81/65/52/949816552.db2.gz NCUCENDDQJLJDM-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574965834 949816578 /nfs/dbraw/zinc/81/65/78/949816578.db2.gz NCUCENDDQJLJDM-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1[nH]ncc1Br)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574965771 949817701 /nfs/dbraw/zinc/81/77/01/949817701.db2.gz LPWHGIWNDKZOKT-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1[nH]ncc1Br)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574965771 949817714 /nfs/dbraw/zinc/81/77/14/949817714.db2.gz LPWHGIWNDKZOKT-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574139581 949818327 /nfs/dbraw/zinc/81/83/27/949818327.db2.gz KZEWVWNRHDNQEG-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574139581 949818346 /nfs/dbraw/zinc/81/83/46/949818346.db2.gz KZEWVWNRHDNQEG-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576172878 949819634 /nfs/dbraw/zinc/81/96/34/949819634.db2.gz YYFNFDKFMNKRFT-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576172878 949819645 /nfs/dbraw/zinc/81/96/45/949819645.db2.gz YYFNFDKFMNKRFT-BXUZGUMPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CC(C)(C)O ZINC001575883673 949824909 /nfs/dbraw/zinc/82/49/09/949824909.db2.gz SCWHWXCPMRXKFE-ZYHUDNBSSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CC(C)(C)O ZINC001575883673 949824933 /nfs/dbraw/zinc/82/49/33/949824933.db2.gz SCWHWXCPMRXKFE-ZYHUDNBSSA-N -1 3 375.433 0.465 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573823316 949825136 /nfs/dbraw/zinc/82/51/36/949825136.db2.gz USOLBHIJWKPXQC-ZYHUDNBSSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573823316 949825162 /nfs/dbraw/zinc/82/51/62/949825162.db2.gz USOLBHIJWKPXQC-ZYHUDNBSSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)c1ccon1 ZINC001576172899 949825237 /nfs/dbraw/zinc/82/52/37/949825237.db2.gz ZCFRGMJUWZYQII-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1ccon1 ZINC001576172899 949825258 /nfs/dbraw/zinc/82/52/58/949825258.db2.gz ZCFRGMJUWZYQII-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CC(C)(C)O ZINC001575883667 949827001 /nfs/dbraw/zinc/82/70/01/949827001.db2.gz SCWHWXCPMRXKFE-CMPLNLGQSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CC(C)(C)O ZINC001575883667 949827019 /nfs/dbraw/zinc/82/70/19/949827019.db2.gz SCWHWXCPMRXKFE-CMPLNLGQSA-N -1 3 375.433 0.465 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC(F)(F)C1 ZINC001575562368 949828421 /nfs/dbraw/zinc/82/84/21/949828421.db2.gz GAVBNVXURABPJG-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC(F)(F)C1 ZINC001575562368 949828442 /nfs/dbraw/zinc/82/84/42/949828442.db2.gz GAVBNVXURABPJG-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574722203 949829608 /nfs/dbraw/zinc/82/96/08/949829608.db2.gz RCQAFAKRNXQEIT-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574722203 949829631 /nfs/dbraw/zinc/82/96/31/949829631.db2.gz RCQAFAKRNXQEIT-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574722201 949831173 /nfs/dbraw/zinc/83/11/73/949831173.db2.gz RCQAFAKRNXQEIT-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574722201 949831188 /nfs/dbraw/zinc/83/11/88/949831188.db2.gz RCQAFAKRNXQEIT-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575282416 949832507 /nfs/dbraw/zinc/83/25/07/949832507.db2.gz BKFPWUYRQNSHPG-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575282416 949832532 /nfs/dbraw/zinc/83/25/32/949832532.db2.gz BKFPWUYRQNSHPG-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576173358 949837563 /nfs/dbraw/zinc/83/75/63/949837563.db2.gz XVPUXEDBRWXNRS-TZMCWYRMSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576173358 949837582 /nfs/dbraw/zinc/83/75/82/949837582.db2.gz XVPUXEDBRWXNRS-TZMCWYRMSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575883943 949838000 /nfs/dbraw/zinc/83/80/00/949838000.db2.gz TWGJCKBNTWOHRW-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575883943 949838022 /nfs/dbraw/zinc/83/80/22/949838022.db2.gz TWGJCKBNTWOHRW-DOMZBBRYSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575282490 949840233 /nfs/dbraw/zinc/84/02/33/949840233.db2.gz CBQKBBOFCULCIE-WXHSDQCUSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575282490 949840254 /nfs/dbraw/zinc/84/02/54/949840254.db2.gz CBQKBBOFCULCIE-WXHSDQCUSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](NC(=O)CN(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)C1CC1 ZINC001575282491 949840402 /nfs/dbraw/zinc/84/04/02/949840402.db2.gz CFBHUOOJTCFESD-LLVKDONJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)C1CC1 ZINC001575282491 949840423 /nfs/dbraw/zinc/84/04/23/949840423.db2.gz CFBHUOOJTCFESD-LLVKDONJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CNC(=O)c1[nH]ncc1Br)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574966120 949841115 /nfs/dbraw/zinc/84/11/15/949841115.db2.gz VBPZNCLQFKMZIH-SSDOTTSWSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@H](CNC(=O)c1[nH]ncc1Br)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574966120 949841137 /nfs/dbraw/zinc/84/11/37/949841137.db2.gz VBPZNCLQFKMZIH-SSDOTTSWSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1[nH]ncc1Br)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574966121 949841359 /nfs/dbraw/zinc/84/13/59/949841359.db2.gz VBPZNCLQFKMZIH-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1[nH]ncc1Br)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574966121 949841385 /nfs/dbraw/zinc/84/13/85/949841385.db2.gz VBPZNCLQFKMZIH-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573823852 949841150 /nfs/dbraw/zinc/84/11/50/949841150.db2.gz ZQTOUQBJERJIAK-CQSZACIVSA-N -1 3 386.460 0.598 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1csnn1 ZINC001575884260 949841871 /nfs/dbraw/zinc/84/18/71/949841871.db2.gz IAFKVOLNRLFJGO-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1csnn1 ZINC001575884260 949841895 /nfs/dbraw/zinc/84/18/95/949841895.db2.gz IAFKVOLNRLFJGO-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)COc1ccccc1 ZINC001575282704 949843585 /nfs/dbraw/zinc/84/35/85/949843585.db2.gz LUUCVUHBRFROSH-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)COc1ccccc1 ZINC001575282704 949843610 /nfs/dbraw/zinc/84/36/10/949843610.db2.gz LUUCVUHBRFROSH-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575884532 949845164 /nfs/dbraw/zinc/84/51/64/949845164.db2.gz URRQGBMBRHELTN-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575884532 949845182 /nfs/dbraw/zinc/84/51/82/949845182.db2.gz URRQGBMBRHELTN-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575282698 949846241 /nfs/dbraw/zinc/84/62/41/949846241.db2.gz LTLWFXAFMQJJKC-NWDGAFQWSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575282698 949846264 /nfs/dbraw/zinc/84/62/64/949846264.db2.gz LTLWFXAFMQJJKC-NWDGAFQWSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575563859 949846135 /nfs/dbraw/zinc/84/61/35/949846135.db2.gz MPLREJCVGNLXDO-SCLBCKFNSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575563859 949846162 /nfs/dbraw/zinc/84/61/62/949846162.db2.gz MPLREJCVGNLXDO-SCLBCKFNSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573824157 949848130 /nfs/dbraw/zinc/84/81/30/949848130.db2.gz DHLOPLRFLQWEFY-LOWVWBTDSA-N -1 3 387.448 0.404 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573824157 949848144 /nfs/dbraw/zinc/84/81/44/949848144.db2.gz DHLOPLRFLQWEFY-LOWVWBTDSA-N -1 3 387.448 0.404 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001574483909 949850461 /nfs/dbraw/zinc/85/04/61/949850461.db2.gz PTUOLANZLNPOOT-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001574483909 949850479 /nfs/dbraw/zinc/85/04/79/949850479.db2.gz PTUOLANZLNPOOT-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)CCCC1 ZINC001575563831 949851006 /nfs/dbraw/zinc/85/10/06/949851006.db2.gz MOFHUCJHODJAGP-OCCSQVGLSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)CCCC1 ZINC001575563831 949851031 /nfs/dbraw/zinc/85/10/31/949851031.db2.gz MOFHUCJHODJAGP-OCCSQVGLSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574966500 949851508 /nfs/dbraw/zinc/85/15/08/949851508.db2.gz ZTLSVWBPMYYKOQ-ZMZPIMSZSA-N -1 3 389.435 0.611 20 0 GCADHM C[C@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574723047 949851570 /nfs/dbraw/zinc/85/15/70/949851570.db2.gz ZQCKZFAYTMCPJO-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CN(C)C(=O)CCCn1cccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574723047 949851594 /nfs/dbraw/zinc/85/15/94/949851594.db2.gz ZQCKZFAYTMCPJO-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ccc(Cl)[nH]1 ZINC001574966742 949852932 /nfs/dbraw/zinc/85/29/32/949852932.db2.gz BRKQLACWEGBGQK-MRVPVSSYSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ccc(Cl)[nH]1 ZINC001574966742 949852956 /nfs/dbraw/zinc/85/29/56/949852956.db2.gz BRKQLACWEGBGQK-MRVPVSSYSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001574966668 949852999 /nfs/dbraw/zinc/85/29/99/949852999.db2.gz BCPDGYMDKGQXTA-AAEUAGOBSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001574966668 949853018 /nfs/dbraw/zinc/85/30/18/949853018.db2.gz BCPDGYMDKGQXTA-AAEUAGOBSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574484041 949853834 /nfs/dbraw/zinc/85/38/34/949853834.db2.gz CVALCTPSSIINPS-NEPJUHHUSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574484041 949853849 /nfs/dbraw/zinc/85/38/49/949853849.db2.gz CVALCTPSSIINPS-NEPJUHHUSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575283001 949853927 /nfs/dbraw/zinc/85/39/27/949853927.db2.gz DRGRSZWZRFHZKL-ADLMAVQZSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575283001 949853948 /nfs/dbraw/zinc/85/39/48/949853948.db2.gz DRGRSZWZRFHZKL-ADLMAVQZSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575283002 949855166 /nfs/dbraw/zinc/85/51/66/949855166.db2.gz DRGRSZWZRFHZKL-BBATYDOGSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575283002 949855171 /nfs/dbraw/zinc/85/51/71/949855171.db2.gz DRGRSZWZRFHZKL-BBATYDOGSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573824952 949855822 /nfs/dbraw/zinc/85/58/22/949855822.db2.gz JBLNBKLKQUOVAY-GWCFXTLKSA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573824952 949855843 /nfs/dbraw/zinc/85/58/43/949855843.db2.gz JBLNBKLKQUOVAY-GWCFXTLKSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575885072 949858272 /nfs/dbraw/zinc/85/82/72/949858272.db2.gz KHAOXPAKMCOEBY-PWSUYJOCSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575885072 949858292 /nfs/dbraw/zinc/85/82/92/949858292.db2.gz KHAOXPAKMCOEBY-PWSUYJOCSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575885278 949858710 /nfs/dbraw/zinc/85/87/10/949858710.db2.gz WCILYKOGLZBICZ-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575885278 949858734 /nfs/dbraw/zinc/85/87/34/949858734.db2.gz WCILYKOGLZBICZ-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001574142171 949861706 /nfs/dbraw/zinc/86/17/06/949861706.db2.gz WTWRBCKBUZKHGX-NILFDRSVSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001574142171 949861728 /nfs/dbraw/zinc/86/17/28/949861728.db2.gz WTWRBCKBUZKHGX-NILFDRSVSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573825209 949865780 /nfs/dbraw/zinc/86/57/80/949865780.db2.gz MXUCIKUKEIKCBT-AWEZNQCLSA-N -1 3 386.460 0.250 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573825209 949865803 /nfs/dbraw/zinc/86/58/03/949865803.db2.gz MXUCIKUKEIKCBT-AWEZNQCLSA-N -1 3 386.460 0.250 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001574967742 949874798 /nfs/dbraw/zinc/87/47/98/949874798.db2.gz JRYSYEXNPASMJO-GOSISDBHSA-N -1 3 385.428 0.556 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C1=CCOCC1)C1CC1 ZINC001574967742 949874821 /nfs/dbraw/zinc/87/48/21/949874821.db2.gz JRYSYEXNPASMJO-GOSISDBHSA-N -1 3 385.428 0.556 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575885854 949875475 /nfs/dbraw/zinc/87/54/75/949875475.db2.gz LTEOSACSMXUBCI-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575885854 949875483 /nfs/dbraw/zinc/87/54/83/949875483.db2.gz LTEOSACSMXUBCI-GXFFZTMASA-N -1 3 384.400 0.535 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575564972 949877967 /nfs/dbraw/zinc/87/79/67/949877967.db2.gz UIPBHZSRARHZET-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575564972 949877988 /nfs/dbraw/zinc/87/79/88/949877988.db2.gz UIPBHZSRARHZET-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H](C)c1cccnc1 ZINC001574967976 949881181 /nfs/dbraw/zinc/88/11/81/949881181.db2.gz KSQCBYCAXKWQLC-RYUDHWBXSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H](C)c1cccnc1 ZINC001574967976 949881207 /nfs/dbraw/zinc/88/12/07/949881207.db2.gz KSQCBYCAXKWQLC-RYUDHWBXSA-N -1 3 382.428 0.876 20 0 GCADHM CC(C)C[C@@H](C)OCCC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574143038 949883679 /nfs/dbraw/zinc/88/36/79/949883679.db2.gz FDWRKROEATZULP-GFCCVEGCSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@@H](C)OCCC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574143038 949883704 /nfs/dbraw/zinc/88/37/04/949883704.db2.gz FDWRKROEATZULP-GFCCVEGCSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@H](C)OCCC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574143039 949885915 /nfs/dbraw/zinc/88/59/15/949885915.db2.gz FDWRKROEATZULP-LBPRGKRZSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@H](C)OCCC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574143039 949885942 /nfs/dbraw/zinc/88/59/42/949885942.db2.gz FDWRKROEATZULP-LBPRGKRZSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1c(F)cncc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574968153 949887106 /nfs/dbraw/zinc/88/71/06/949887106.db2.gz MHIUDYGYIRQCML-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1c(F)cncc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968153 949887119 /nfs/dbraw/zinc/88/71/19/949887119.db2.gz MHIUDYGYIRQCML-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM CC1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575565719 949888794 /nfs/dbraw/zinc/88/87/94/949888794.db2.gz XRRXRBVQYWJTSL-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575565719 949888815 /nfs/dbraw/zinc/88/88/15/949888815.db2.gz XRRXRBVQYWJTSL-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575284017 949891749 /nfs/dbraw/zinc/89/17/49/949891749.db2.gz SNZIXJDWTNVNTO-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575284017 949891763 /nfs/dbraw/zinc/89/17/63/949891763.db2.gz SNZIXJDWTNVNTO-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574968353 949892449 /nfs/dbraw/zinc/89/24/49/949892449.db2.gz OFTRHLSQIOLIGL-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968353 949892481 /nfs/dbraw/zinc/89/24/81/949892481.db2.gz OFTRHLSQIOLIGL-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575284298 949901051 /nfs/dbraw/zinc/90/10/51/949901051.db2.gz UAQICSWVXIMYGO-NWDGAFQWSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575284298 949901069 /nfs/dbraw/zinc/90/10/69/949901069.db2.gz UAQICSWVXIMYGO-NWDGAFQWSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccn(C)n1 ZINC001575887269 949901327 /nfs/dbraw/zinc/90/13/27/949901327.db2.gz YOKJBERMQAGKDC-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccn(C)n1 ZINC001575887269 949901342 /nfs/dbraw/zinc/90/13/42/949901342.db2.gz YOKJBERMQAGKDC-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)COCc1ccnn1C ZINC001575284296 949902828 /nfs/dbraw/zinc/90/28/28/949902828.db2.gz UAQICSWVXIMYGO-NEPJUHHUSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)COCc1ccnn1C ZINC001575284296 949902843 /nfs/dbraw/zinc/90/28/43/949902843.db2.gz UAQICSWVXIMYGO-NEPJUHHUSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1ncccc1-c1nnn[n-]1 ZINC001574725668 949903197 /nfs/dbraw/zinc/90/31/97/949903197.db2.gz AFROYLIDIDJQHN-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1ncccc1-c1nn[n-]n1 ZINC001574725668 949903209 /nfs/dbraw/zinc/90/32/09/949903209.db2.gz AFROYLIDIDJQHN-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576178851 949903420 /nfs/dbraw/zinc/90/34/20/949903420.db2.gz JDOHFPQCNROWHO-ZYHUDNBSSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576178851 949903437 /nfs/dbraw/zinc/90/34/37/949903437.db2.gz JDOHFPQCNROWHO-ZYHUDNBSSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ncc(F)cc1F ZINC001574968557 949904640 /nfs/dbraw/zinc/90/46/40/949904640.db2.gz PXYJJWMCSCVGAF-QMMMGPOBSA-N -1 3 390.354 0.664 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ncc(F)cc1F ZINC001574968557 949904664 /nfs/dbraw/zinc/90/46/64/949904664.db2.gz PXYJJWMCSCVGAF-QMMMGPOBSA-N -1 3 390.354 0.664 20 0 GCADHM CC(C)C[C@H](C)OCCC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574144241 949906972 /nfs/dbraw/zinc/90/69/72/949906972.db2.gz MDOUXLKWRWHHKC-LBPRGKRZSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)C[C@H](C)OCCC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574144241 949906983 /nfs/dbraw/zinc/90/69/83/949906983.db2.gz MDOUXLKWRWHHKC-LBPRGKRZSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001574968651 949907230 /nfs/dbraw/zinc/90/72/30/949907230.db2.gz RDRMFCPIWFUQHZ-INIZCTEOSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H](C)c1ccnn1C ZINC001574968744 949907343 /nfs/dbraw/zinc/90/73/43/949907343.db2.gz SBPFZFXXNVGUON-MNOVXSKESA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H](C)c1ccnn1C ZINC001574968744 949907354 /nfs/dbraw/zinc/90/73/54/949907354.db2.gz SBPFZFXXNVGUON-MNOVXSKESA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1CC(=O)N(C)C1CC1 ZINC001575887758 949908089 /nfs/dbraw/zinc/90/80/89/949908089.db2.gz OTAKBOZHNVKSBS-RISCZKNCSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CC(=O)N(C)C1CC1 ZINC001575887758 949908108 /nfs/dbraw/zinc/90/81/08/949908108.db2.gz OTAKBOZHNVKSBS-RISCZKNCSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ncccc1-c1nnn[n-]1 ZINC001574968675 949910184 /nfs/dbraw/zinc/91/01/84/949910184.db2.gz RLYFLCMFAVTCLU-NSHDSACASA-N -1 3 381.444 0.962 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ncccc1-c1nn[n-]n1 ZINC001574968675 949910200 /nfs/dbraw/zinc/91/02/00/949910200.db2.gz RLYFLCMFAVTCLU-NSHDSACASA-N -1 3 381.444 0.962 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ncccc1-c1nnn[n-]1 ZINC001574968672 949910466 /nfs/dbraw/zinc/91/04/66/949910466.db2.gz RLYFLCMFAVTCLU-LLVKDONJSA-N -1 3 381.444 0.962 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ncccc1-c1nn[n-]n1 ZINC001574968672 949910485 /nfs/dbraw/zinc/91/04/85/949910485.db2.gz RLYFLCMFAVTCLU-LLVKDONJSA-N -1 3 381.444 0.962 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575284614 949913651 /nfs/dbraw/zinc/91/36/51/949913651.db2.gz KAVHHTVYRBZBMG-YPMHNXCESA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[nH]n1 ZINC001574968865 949914593 /nfs/dbraw/zinc/91/45/93/949914593.db2.gz UOIVAQAIMASOON-JTQLQIEISA-N -1 3 385.432 0.837 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[nH]n1 ZINC001574968865 949914631 /nfs/dbraw/zinc/91/46/31/949914631.db2.gz UOIVAQAIMASOON-JTQLQIEISA-N -1 3 385.432 0.837 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576179510 949917448 /nfs/dbraw/zinc/91/74/48/949917448.db2.gz AGBZAFMPYRWCEJ-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575888332 949917645 /nfs/dbraw/zinc/91/76/45/949917645.db2.gz PQWDJYDNBSYNCE-CMPLNLGQSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575888332 949917654 /nfs/dbraw/zinc/91/76/54/949917654.db2.gz PQWDJYDNBSYNCE-CMPLNLGQSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576179527 949917947 /nfs/dbraw/zinc/91/79/47/949917947.db2.gz AQGARHQTAFOFMG-NEPJUHHUSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576179527 949917966 /nfs/dbraw/zinc/91/79/66/949917966.db2.gz AQGARHQTAFOFMG-NEPJUHHUSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576179529 949918132 /nfs/dbraw/zinc/91/81/32/949918132.db2.gz AQGARHQTAFOFMG-NWDGAFQWSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576179529 949918150 /nfs/dbraw/zinc/91/81/50/949918150.db2.gz AQGARHQTAFOFMG-NWDGAFQWSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)(C)/C=C\C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573827638 949925987 /nfs/dbraw/zinc/92/59/87/949925987.db2.gz NAMQRDCVDJCKKJ-ZHRWSRJISA-N -1 3 387.444 0.754 20 0 GCADHM CC(C)(C)/C=C\C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573827638 949926004 /nfs/dbraw/zinc/92/60/04/949926004.db2.gz NAMQRDCVDJCKKJ-ZHRWSRJISA-N -1 3 387.444 0.754 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cc[nH]n1 ZINC001575889089 949927082 /nfs/dbraw/zinc/92/70/82/949927082.db2.gz RSRICGUDCSOOFE-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001574969080 949928078 /nfs/dbraw/zinc/92/80/78/949928078.db2.gz ZEEPUDGUVPQPLB-BBATYDOGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001574969080 949928096 /nfs/dbraw/zinc/92/80/96/949928096.db2.gz ZEEPUDGUVPQPLB-BBATYDOGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575889051 949928437 /nfs/dbraw/zinc/92/84/37/949928437.db2.gz RFQSQRMMQODVAD-TZMCWYRMSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575889051 949928451 /nfs/dbraw/zinc/92/84/51/949928451.db2.gz RFQSQRMMQODVAD-TZMCWYRMSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C)NC(N)=O ZINC001574487612 949929882 /nfs/dbraw/zinc/92/98/82/949929882.db2.gz AEISONZRJVPVFQ-GXFFZTMASA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C)NC(N)=O ZINC001574487612 949929896 /nfs/dbraw/zinc/92/98/96/949929896.db2.gz AEISONZRJVPVFQ-GXFFZTMASA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C)NC(N)=O ZINC001574487618 949930711 /nfs/dbraw/zinc/93/07/11/949930711.db2.gz AHFZARXBYNHZAI-CMPLNLGQSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C)NC(N)=O ZINC001574487618 949930731 /nfs/dbraw/zinc/93/07/31/949930731.db2.gz AHFZARXBYNHZAI-CMPLNLGQSA-N -1 3 389.464 0.651 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@@H]2O)CC1 ZINC001575569740 949930892 /nfs/dbraw/zinc/93/08/92/949930892.db2.gz NKJFDJQEPCDOIT-RYUDHWBXSA-N -1 3 377.836 0.771 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@@H]2O)CC1 ZINC001575569740 949930907 /nfs/dbraw/zinc/93/09/07/949930907.db2.gz NKJFDJQEPCDOIT-RYUDHWBXSA-N -1 3 377.836 0.771 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575889457 949932821 /nfs/dbraw/zinc/93/28/21/949932821.db2.gz RYZQMDCDMLCYRX-VXNVDRBHSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575889457 949932837 /nfs/dbraw/zinc/93/28/37/949932837.db2.gz RYZQMDCDMLCYRX-VXNVDRBHSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc[nH]n2)[C@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576180060 949934111 /nfs/dbraw/zinc/93/41/11/949934111.db2.gz GZNULEUPBLPLBF-YPMHNXCESA-N -1 3 382.432 0.545 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576180060 949934127 /nfs/dbraw/zinc/93/41/27/949934127.db2.gz GZNULEUPBLPLBF-YPMHNXCESA-N -1 3 382.432 0.545 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc[nH]n2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180060 949934143 /nfs/dbraw/zinc/93/41/43/949934143.db2.gz GZNULEUPBLPLBF-YPMHNXCESA-N -1 3 382.432 0.545 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)CCCS1(=O)=O ZINC001575570220 949934362 /nfs/dbraw/zinc/93/43/62/949934362.db2.gz QMXLAUDUPRDYKI-QGZVFWFLSA-N -1 3 390.469 0.134 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CCCS1(=O)=O ZINC001575570220 949934379 /nfs/dbraw/zinc/93/43/79/949934379.db2.gz QMXLAUDUPRDYKI-QGZVFWFLSA-N -1 3 390.469 0.134 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cncn1C ZINC001574972165 949936381 /nfs/dbraw/zinc/93/63/81/949936381.db2.gz BGBMCNVSLWSOAC-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ncccc1-c1nnn[n-]1 ZINC001574726542 949939265 /nfs/dbraw/zinc/93/92/65/949939265.db2.gz JXSFYJDCQMXOLA-OLZOCXBDSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ncccc1-c1nn[n-]n1 ZINC001574726542 949939285 /nfs/dbraw/zinc/93/92/85/949939285.db2.gz JXSFYJDCQMXOLA-OLZOCXBDSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1)[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575285230 949939134 /nfs/dbraw/zinc/93/91/34/949939134.db2.gz LWIKGVXSVJFMMY-ZIAGYGMSSA-N -1 3 385.476 0.474 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574146277 949940499 /nfs/dbraw/zinc/94/04/99/949940499.db2.gz XHCCEABYGHUADK-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574146277 949940517 /nfs/dbraw/zinc/94/05/17/949940517.db2.gz XHCCEABYGHUADK-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285349 949940970 /nfs/dbraw/zinc/94/09/70/949940970.db2.gz NGHCJRPCUJAEDW-VXGBXAGGSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285349 949940988 /nfs/dbraw/zinc/94/09/88/949940988.db2.gz NGHCJRPCUJAEDW-VXGBXAGGSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001574972534 949941000 /nfs/dbraw/zinc/94/10/00/949941000.db2.gz CWUCMPZOEBXOOR-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001574972534 949941009 /nfs/dbraw/zinc/94/10/09/949941009.db2.gz CWUCMPZOEBXOOR-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001574972546 949942434 /nfs/dbraw/zinc/94/24/34/949942434.db2.gz CYSSHVXMDKNWSK-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@]1(C)CCCOC1 ZINC001574972546 949942447 /nfs/dbraw/zinc/94/24/47/949942447.db2.gz CYSSHVXMDKNWSK-APPDUMDISA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1nccs1 ZINC001574972206 949942490 /nfs/dbraw/zinc/94/24/90/949942490.db2.gz BVKPSDKBIMGPIO-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1nccs1 ZINC001574972206 949942504 /nfs/dbraw/zinc/94/25/04/949942504.db2.gz BVKPSDKBIMGPIO-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575285346 949943037 /nfs/dbraw/zinc/94/30/37/949943037.db2.gz NGHCJRPCUJAEDW-NEPJUHHUSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001575285346 949943050 /nfs/dbraw/zinc/94/30/50/949943050.db2.gz NGHCJRPCUJAEDW-NEPJUHHUSA-N -1 3 387.448 0.372 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001573828822 949944170 /nfs/dbraw/zinc/94/41/70/949944170.db2.gz VHCLQPBXJYGBTQ-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001573828822 949944183 /nfs/dbraw/zinc/94/41/83/949944183.db2.gz VHCLQPBXJYGBTQ-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574146338 949944279 /nfs/dbraw/zinc/94/42/79/949944279.db2.gz YBHSCVSUFKXUGG-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574146338 949944307 /nfs/dbraw/zinc/94/43/07/949944307.db2.gz YBHSCVSUFKXUGG-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](NC(=O)CN1CCCC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285267 949944421 /nfs/dbraw/zinc/94/44/21/949944421.db2.gz MCQGROULFMWNCY-UWVGGRQHSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](NC(=O)CN1CCCC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285267 949944438 /nfs/dbraw/zinc/94/44/38/949944438.db2.gz MCQGROULFMWNCY-UWVGGRQHSA-N -1 3 376.396 0.328 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574146336 949945022 /nfs/dbraw/zinc/94/50/22/949945022.db2.gz YBHSCVSUFKXUGG-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574146336 949945037 /nfs/dbraw/zinc/94/50/37/949945037.db2.gz YBHSCVSUFKXUGG-ACJLOTCBSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180194 949945644 /nfs/dbraw/zinc/94/56/44/949945644.db2.gz CRXBGUSYPMEYHL-VXGBXAGGSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180194 949945664 /nfs/dbraw/zinc/94/56/64/949945664.db2.gz CRXBGUSYPMEYHL-VXGBXAGGSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574726892 949946567 /nfs/dbraw/zinc/94/65/67/949946567.db2.gz MCOYNOZKZXJHCK-SNVBAGLBSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574726892 949946585 /nfs/dbraw/zinc/94/65/85/949946585.db2.gz MCOYNOZKZXJHCK-SNVBAGLBSA-N -1 3 375.408 0.791 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574146518 949946837 /nfs/dbraw/zinc/94/68/37/949946837.db2.gz ZBJJLYOXMICVCN-OCCSQVGLSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574146518 949946858 /nfs/dbraw/zinc/94/68/58/949946858.db2.gz ZBJJLYOXMICVCN-OCCSQVGLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CN(C)C(=O)CS(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574726583 949947027 /nfs/dbraw/zinc/94/70/27/949947027.db2.gz KICHVKJCOYMFGG-QMMMGPOBSA-N -1 3 387.853 0.219 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001574972940 949947445 /nfs/dbraw/zinc/94/74/45/949947445.db2.gz DYNLVEJUQADXMO-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001574972940 949947464 /nfs/dbraw/zinc/94/74/64/949947464.db2.gz DYNLVEJUQADXMO-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cnc[nH]1 ZINC001575890545 949950541 /nfs/dbraw/zinc/95/05/41/949950541.db2.gz XUVWDRZZLOUJNF-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001574973063 949953081 /nfs/dbraw/zinc/95/30/81/949953081.db2.gz GIXWZIOWYFLMHL-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001574973063 949953097 /nfs/dbraw/zinc/95/30/97/949953097.db2.gz GIXWZIOWYFLMHL-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1cnc[nH]1 ZINC001575890543 949953315 /nfs/dbraw/zinc/95/33/15/949953315.db2.gz XUVWDRZZLOUJNF-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1n[nH]cc1F ZINC001574147841 949954033 /nfs/dbraw/zinc/95/40/33/949954033.db2.gz DMNGMEYIAAEACM-SNVBAGLBSA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](O)C(C)C ZINC001574147811 949954070 /nfs/dbraw/zinc/95/40/70/949954070.db2.gz CVBNDZPHXFZKOI-TZMCWYRMSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](O)C(C)C ZINC001574147811 949954085 /nfs/dbraw/zinc/95/40/85/949954085.db2.gz CVBNDZPHXFZKOI-TZMCWYRMSA-N -1 3 377.449 0.472 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCCOC1 ZINC001575571168 949954782 /nfs/dbraw/zinc/95/47/82/949954782.db2.gz XXNTWNPQUYANNN-SJCJKPOMSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCCOC1 ZINC001575571168 949954814 /nfs/dbraw/zinc/95/48/14/949954814.db2.gz XXNTWNPQUYANNN-SJCJKPOMSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574727083 949955720 /nfs/dbraw/zinc/95/57/20/949955720.db2.gz OXEDRRNGVLRELP-NSHDSACASA-N -1 3 390.423 0.672 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574727083 949955737 /nfs/dbraw/zinc/95/57/37/949955737.db2.gz OXEDRRNGVLRELP-NSHDSACASA-N -1 3 390.423 0.672 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575890606 949957224 /nfs/dbraw/zinc/95/72/24/949957224.db2.gz YQGYVCBNTVKYNZ-CBAPKCEASA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575890606 949957242 /nfs/dbraw/zinc/95/72/42/949957242.db2.gz YQGYVCBNTVKYNZ-CBAPKCEASA-N -1 3 390.791 0.869 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574147886 949958817 /nfs/dbraw/zinc/95/88/17/949958817.db2.gz FTTLFPUVBSMCSH-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574147886 949958838 /nfs/dbraw/zinc/95/88/38/949958838.db2.gz FTTLFPUVBSMCSH-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnoc1C1CC1 ZINC001574974005 949960850 /nfs/dbraw/zinc/96/08/50/949960850.db2.gz KEUXPEMZFGQGIP-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnoc1C1CC1 ZINC001574974005 949960866 /nfs/dbraw/zinc/96/08/66/949960866.db2.gz KEUXPEMZFGQGIP-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575285976 949965263 /nfs/dbraw/zinc/96/52/63/949965263.db2.gz RYMHCJYDHPZHBT-DGCLKSJQSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575285976 949965279 /nfs/dbraw/zinc/96/52/79/949965279.db2.gz RYMHCJYDHPZHBT-DGCLKSJQSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727459 949966745 /nfs/dbraw/zinc/96/67/45/949966745.db2.gz TVFADXAAMSLPJN-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CN(C)C(=O)COCc1nccn1C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727459 949966761 /nfs/dbraw/zinc/96/67/61/949966761.db2.gz TVFADXAAMSLPJN-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575890842 949967643 /nfs/dbraw/zinc/96/76/43/949967643.db2.gz AHQLYALDJSVYBI-ZYHUDNBSSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575890842 949967669 /nfs/dbraw/zinc/96/76/69/949967669.db2.gz AHQLYALDJSVYBI-ZYHUDNBSSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001574489704 949968083 /nfs/dbraw/zinc/96/80/83/949968083.db2.gz LAMZRJQXGKLBDR-LERXQTSPSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001574489704 949968099 /nfs/dbraw/zinc/96/80/99/949968099.db2.gz LAMZRJQXGKLBDR-LERXQTSPSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)COCC1CCCC1 ZINC001574974195 949974090 /nfs/dbraw/zinc/97/40/90/949974090.db2.gz MADXXGQSZBTUOX-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)COCC1CCCC1 ZINC001574974195 949974106 /nfs/dbraw/zinc/97/41/06/949974106.db2.gz MADXXGQSZBTUOX-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1cccnc1 ZINC001574974250 949974502 /nfs/dbraw/zinc/97/45/02/949974502.db2.gz MOIRJPAQRGIBOL-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cccnc1 ZINC001574974250 949974512 /nfs/dbraw/zinc/97/45/12/949974512.db2.gz MOIRJPAQRGIBOL-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnn(C)c1Cl ZINC001574974293 949974819 /nfs/dbraw/zinc/97/48/19/949974819.db2.gz NSUMCCCWFCAMIC-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnn(C)c1Cl ZINC001574974293 949974839 /nfs/dbraw/zinc/97/48/39/949974839.db2.gz NSUMCCCWFCAMIC-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C)NC(N)=O ZINC001574489952 949975713 /nfs/dbraw/zinc/97/57/13/949975713.db2.gz LZQRRTHVJBWFEC-CMPLNLGQSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C)NC(N)=O ZINC001574489952 949975755 /nfs/dbraw/zinc/97/57/55/949975755.db2.gz LZQRRTHVJBWFEC-CMPLNLGQSA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573830427 949976795 /nfs/dbraw/zinc/97/67/95/949976795.db2.gz MRBORQZYCHCGLB-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573830427 949976816 /nfs/dbraw/zinc/97/68/16/949976816.db2.gz MRBORQZYCHCGLB-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574148145 949976747 /nfs/dbraw/zinc/97/67/47/949976747.db2.gz LHRXLLOLSJTWDN-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148145 949976767 /nfs/dbraw/zinc/97/67/67/949976767.db2.gz LHRXLLOLSJTWDN-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H](O)C(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148171 949977462 /nfs/dbraw/zinc/97/74/62/949977462.db2.gz LUDBJYMXQOSZQE-TZMCWYRMSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H](O)C(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148171 949977480 /nfs/dbraw/zinc/97/74/80/949977480.db2.gz LUDBJYMXQOSZQE-TZMCWYRMSA-N -1 3 377.449 0.472 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574974303 949978368 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CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001574149635 950017731 /nfs/dbraw/zinc/01/77/31/950017731.db2.gz WULOYIZBKJDZBQ-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001574149635 950017752 /nfs/dbraw/zinc/01/77/52/950017752.db2.gz WULOYIZBKJDZBQ-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573834117 950017877 /nfs/dbraw/zinc/01/78/77/950017877.db2.gz GIWUWYGMMQDKCN-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573834117 950017899 /nfs/dbraw/zinc/01/78/99/950017899.db2.gz GIWUWYGMMQDKCN-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575891613 950017927 /nfs/dbraw/zinc/01/79/27/950017927.db2.gz LUWXVRHUOXACOY-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575891613 950017949 /nfs/dbraw/zinc/01/79/49/950017949.db2.gz LUWXVRHUOXACOY-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001574150210 950019099 /nfs/dbraw/zinc/01/90/99/950019099.db2.gz ZDFRJNZIEARMBH-KZULUSFZSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001574150210 950019121 /nfs/dbraw/zinc/01/91/21/950019121.db2.gz ZDFRJNZIEARMBH-KZULUSFZSA-N -1 3 389.460 0.882 20 0 GCADHM CC1CCN(C(=O)CN2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001576181737 950020395 /nfs/dbraw/zinc/02/03/95/950020395.db2.gz JHWFYZVNGZGYSM-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC1CCN(C(=O)CN2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001576181737 950020420 /nfs/dbraw/zinc/02/04/20/950020420.db2.gz JHWFYZVNGZGYSM-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nc(C2CC2)nn1C ZINC001574975235 950021225 /nfs/dbraw/zinc/02/12/25/950021225.db2.gz HEAHMDQZHPKDGV-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nc(C2CC2)nn1C ZINC001574975235 950021249 /nfs/dbraw/zinc/02/12/49/950021249.db2.gz HEAHMDQZHPKDGV-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)C1CC(F)(F)C1 ZINC001575891623 950023904 /nfs/dbraw/zinc/02/39/04/950023904.db2.gz LWVXEOSANCGPRF-SCZZXKLOSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)C1CC(F)(F)C1 ZINC001575891623 950023923 /nfs/dbraw/zinc/02/39/23/950023923.db2.gz LWVXEOSANCGPRF-SCZZXKLOSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H](C)NC(N)=O ZINC001574490831 950026187 /nfs/dbraw/zinc/02/61/87/950026187.db2.gz ZVSMFWCIBRMKCT-IUCAKERBSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H](C)NC(N)=O ZINC001574490831 950026208 /nfs/dbraw/zinc/02/62/08/950026208.db2.gz ZVSMFWCIBRMKCT-IUCAKERBSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCCn1cccn1 ZINC001574975271 950027022 /nfs/dbraw/zinc/02/70/22/950027022.db2.gz WBQJWJPWSBMMLU-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCCn1cccn1 ZINC001574975271 950027041 /nfs/dbraw/zinc/02/70/41/950027041.db2.gz WBQJWJPWSBMMLU-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574975238 950027680 /nfs/dbraw/zinc/02/76/80/950027680.db2.gz HEBSOUABLCDVRO-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCCC1 ZINC001575574721 950027696 /nfs/dbraw/zinc/02/76/96/950027696.db2.gz YCWQBKMUTGIPJX-GFCCVEGCSA-N -1 3 389.460 0.762 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574491236 950027781 /nfs/dbraw/zinc/02/77/81/950027781.db2.gz BLMAMPQFMRGFRZ-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574491236 950027802 /nfs/dbraw/zinc/02/78/02/950027802.db2.gz BLMAMPQFMRGFRZ-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574975238 950027700 /nfs/dbraw/zinc/02/77/00/950027700.db2.gz HEBSOUABLCDVRO-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCCC1 ZINC001575574721 950027717 /nfs/dbraw/zinc/02/77/17/950027717.db2.gz YCWQBKMUTGIPJX-GFCCVEGCSA-N -1 3 389.460 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575891753 950028548 /nfs/dbraw/zinc/02/85/48/950028548.db2.gz NHOUNUITLLBCDJ-GHMZBOCLSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)CC(C)(C)O ZINC001575891753 950028569 /nfs/dbraw/zinc/02/85/69/950028569.db2.gz NHOUNUITLLBCDJ-GHMZBOCLSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCn1cc(Cl)cn1 ZINC001574975490 950029642 /nfs/dbraw/zinc/02/96/42/950029642.db2.gz HPKWTOJKKBTYFW-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCn1cc(Cl)cn1 ZINC001574975490 950029663 /nfs/dbraw/zinc/02/96/63/950029663.db2.gz HPKWTOJKKBTYFW-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCOC1 ZINC001574150399 950030650 /nfs/dbraw/zinc/03/06/50/950030650.db2.gz ZMXJMIVZZAMWAI-YPMHNXCESA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCOC1 ZINC001574150399 950030672 /nfs/dbraw/zinc/03/06/72/950030672.db2.gz ZMXJMIVZZAMWAI-YPMHNXCESA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCOC1 ZINC001574150395 950031618 /nfs/dbraw/zinc/03/16/18/950031618.db2.gz ZMXJMIVZZAMWAI-AAEUAGOBSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCOC1 ZINC001574150395 950031642 /nfs/dbraw/zinc/03/16/42/950031642.db2.gz ZMXJMIVZZAMWAI-AAEUAGOBSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575891791 950032865 /nfs/dbraw/zinc/03/28/65/950032865.db2.gz NRNPKKQEYNDETO-MWLCHTKSSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575891791 950032869 /nfs/dbraw/zinc/03/28/69/950032869.db2.gz NRNPKKQEYNDETO-MWLCHTKSSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574975649 950035332 /nfs/dbraw/zinc/03/53/32/950035332.db2.gz XYCKMTYRUVVIRP-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574975649 950035354 /nfs/dbraw/zinc/03/53/54/950035354.db2.gz XYCKMTYRUVVIRP-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)(C)CC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001573835176 950039918 /nfs/dbraw/zinc/03/99/18/950039918.db2.gz QHSQAZKUBLHNIE-STQMWFEESA-N -1 3 377.424 0.893 20 0 GCADHM CC(C)(C)CC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001573835176 950039941 /nfs/dbraw/zinc/03/99/41/950039941.db2.gz QHSQAZKUBLHNIE-STQMWFEESA-N -1 3 377.424 0.893 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnns1 ZINC001574150882 950040720 /nfs/dbraw/zinc/04/07/20/950040720.db2.gz GCLHBLGJXWVDKW-SECBINFHSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnns1 ZINC001574150882 950040742 /nfs/dbraw/zinc/04/07/42/950040742.db2.gz GCLHBLGJXWVDKW-SECBINFHSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576182166 950040880 /nfs/dbraw/zinc/04/08/80/950040880.db2.gz NLAWKGHVDOIRAQ-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576182166 950040901 /nfs/dbraw/zinc/04/09/01/950040901.db2.gz NLAWKGHVDOIRAQ-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnsn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574150826 950041928 /nfs/dbraw/zinc/04/19/28/950041928.db2.gz FBUHKSUVZLDSRL-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnsn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574150826 950041947 /nfs/dbraw/zinc/04/19/47/950041947.db2.gz FBUHKSUVZLDSRL-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575891949 950043740 /nfs/dbraw/zinc/04/37/40/950043740.db2.gz PRNHIPRFUTZMSI-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575891949 950043757 /nfs/dbraw/zinc/04/37/57/950043757.db2.gz PRNHIPRFUTZMSI-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575892004 950043999 /nfs/dbraw/zinc/04/39/99/950043999.db2.gz QFBQVNUCKZBJGC-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575892004 950044026 /nfs/dbraw/zinc/04/40/26/950044026.db2.gz QFBQVNUCKZBJGC-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1ccnc1 ZINC001574491640 950045162 /nfs/dbraw/zinc/04/51/62/950045162.db2.gz FGWRFEKUYFOTFK-LBPRGKRZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](CC(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1ccnc1 ZINC001574491640 950045181 /nfs/dbraw/zinc/04/51/81/950045181.db2.gz FGWRFEKUYFOTFK-LBPRGKRZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575892001 950045394 /nfs/dbraw/zinc/04/53/94/950045394.db2.gz QFBQVNUCKZBJGC-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575892001 950045413 /nfs/dbraw/zinc/04/54/13/950045413.db2.gz QFBQVNUCKZBJGC-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574731441 950046023 /nfs/dbraw/zinc/04/60/23/950046023.db2.gz DUELARDMHMAAFR-KWQFWETISA-N -1 3 378.824 0.453 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574731441 950046045 /nfs/dbraw/zinc/04/60/45/950046045.db2.gz DUELARDMHMAAFR-KWQFWETISA-N -1 3 378.824 0.453 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001574491754 950046429 /nfs/dbraw/zinc/04/64/29/950046429.db2.gz FNPBGECHYOURBZ-IUODEOHRSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001574491754 950046451 /nfs/dbraw/zinc/04/64/51/950046451.db2.gz FNPBGECHYOURBZ-IUODEOHRSA-N -1 3 381.444 0.884 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCCC1 ZINC001575575243 950046457 /nfs/dbraw/zinc/04/64/57/950046457.db2.gz GQYYOVKGNYWVLG-ZDUSSCGKSA-N -1 3 389.460 0.762 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCCC1 ZINC001575575243 950046481 /nfs/dbraw/zinc/04/64/81/950046481.db2.gz GQYYOVKGNYWVLG-ZDUSSCGKSA-N -1 3 389.460 0.762 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574731286 950047137 /nfs/dbraw/zinc/04/71/37/950047137.db2.gz CLYJEHHNMIZRSK-LBPRGKRZSA-N -1 3 384.448 0.358 20 0 GCADHM CC1(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCC2)CCOCC1 ZINC001575575406 950049216 /nfs/dbraw/zinc/04/92/16/950049216.db2.gz IUXTYDMLYCFDGP-UHFFFAOYSA-N -1 3 387.444 0.780 20 0 GCADHM CC1(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCC2)CCOCC1 ZINC001575575406 950049236 /nfs/dbraw/zinc/04/92/36/950049236.db2.gz IUXTYDMLYCFDGP-UHFFFAOYSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574975949 950051427 /nfs/dbraw/zinc/05/14/27/950051427.db2.gz KRQXXVWUUWPSQK-ZYHUDNBSSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574975949 950051451 /nfs/dbraw/zinc/05/14/51/950051451.db2.gz KRQXXVWUUWPSQK-ZYHUDNBSSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574975946 950051887 /nfs/dbraw/zinc/05/18/87/950051887.db2.gz KRQXXVWUUWPSQK-CMPLNLGQSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574975946 950051911 /nfs/dbraw/zinc/05/19/11/950051911.db2.gz KRQXXVWUUWPSQK-CMPLNLGQSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575892108 950053131 /nfs/dbraw/zinc/05/31/31/950053131.db2.gz ROLVKZAOYICUHK-WDEREUQCSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575892108 950053153 /nfs/dbraw/zinc/05/31/53/950053153.db2.gz ROLVKZAOYICUHK-WDEREUQCSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575892164 950053475 /nfs/dbraw/zinc/05/34/75/950053475.db2.gz SLKJGQHOJOFWCP-QKZHPOIUSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575892164 950053500 /nfs/dbraw/zinc/05/35/00/950053500.db2.gz SLKJGQHOJOFWCP-QKZHPOIUSA-N -1 3 385.428 0.197 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CC(F)(F)C1 ZINC001575575535 950056452 /nfs/dbraw/zinc/05/64/52/950056452.db2.gz KIMYJRVZTWQFNB-SECBINFHSA-N -1 3 385.350 0.725 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CC(F)(F)C1 ZINC001575575535 950056474 /nfs/dbraw/zinc/05/64/74/950056474.db2.gz KIMYJRVZTWQFNB-SECBINFHSA-N -1 3 385.350 0.725 20 0 GCADHM CC(C)C[C@@H](CN[C@@H](C)c1nnnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151195 950059139 /nfs/dbraw/zinc/05/91/39/950059139.db2.gz NEILXPPLPQFWEM-JQWIXIFHSA-N -1 3 387.452 0.214 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cncn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151192 950059367 /nfs/dbraw/zinc/05/93/67/950059367.db2.gz NDBSDHWPQRJITJ-LLVKDONJSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cncn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151192 950059383 /nfs/dbraw/zinc/05/93/83/950059383.db2.gz NDBSDHWPQRJITJ-LLVKDONJSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnns1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151198 950060453 /nfs/dbraw/zinc/06/04/53/950060453.db2.gz NFMBZWRFUASRPE-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnns1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151198 950060481 /nfs/dbraw/zinc/06/04/81/950060481.db2.gz NFMBZWRFUASRPE-JTQLQIEISA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573835750 950061351 /nfs/dbraw/zinc/06/13/51/950061351.db2.gz BNIRPQFIYQOLBJ-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573835750 950061369 /nfs/dbraw/zinc/06/13/69/950061369.db2.gz BNIRPQFIYQOLBJ-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)CC(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573835734 950062631 /nfs/dbraw/zinc/06/26/31/950062631.db2.gz AZZFFXPHKHSTCR-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573835734 950062652 /nfs/dbraw/zinc/06/26/52/950062652.db2.gz AZZFFXPHKHSTCR-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573835740 950063989 /nfs/dbraw/zinc/06/39/89/950063989.db2.gz BCVIWDJWKOJIMY-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573835740 950064012 /nfs/dbraw/zinc/06/40/12/950064012.db2.gz BCVIWDJWKOJIMY-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ncccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151250 950066114 /nfs/dbraw/zinc/06/61/14/950066114.db2.gz OGPLIDQQHKZJHI-LLVKDONJSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ncccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151250 950066137 /nfs/dbraw/zinc/06/61/37/950066137.db2.gz OGPLIDQQHKZJHI-LLVKDONJSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001574492207 950067850 /nfs/dbraw/zinc/06/78/50/950067850.db2.gz LALOMBREQNGODP-TZMCWYRMSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001574492207 950067865 /nfs/dbraw/zinc/06/78/65/950067865.db2.gz LALOMBREQNGODP-TZMCWYRMSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@]1(C(=O)NCC2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCC2)CCCOC1 ZINC001575576580 950069134 /nfs/dbraw/zinc/06/91/34/950069134.db2.gz RNSNATQAVYGEND-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@]1(C(=O)NCC2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC2)CCCOC1 ZINC001575576580 950069162 /nfs/dbraw/zinc/06/91/62/950069162.db2.gz RNSNATQAVYGEND-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1cn(CC2CC2)nn1 ZINC001574976312 950069130 /nfs/dbraw/zinc/06/91/30/950069130.db2.gz PZJPWCCJXFGWRY-NSHDSACASA-N -1 3 384.448 0.447 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1cn(CC2CC2)nn1 ZINC001574976312 950069150 /nfs/dbraw/zinc/06/91/50/950069150.db2.gz PZJPWCCJXFGWRY-NSHDSACASA-N -1 3 384.448 0.447 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576182922 950069596 /nfs/dbraw/zinc/06/95/96/950069596.db2.gz PXMPCFKNHJVUQS-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576182922 950069612 /nfs/dbraw/zinc/06/96/12/950069612.db2.gz PXMPCFKNHJVUQS-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ncccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151290 950070095 /nfs/dbraw/zinc/07/00/95/950070095.db2.gz OSPHYUMFEYYYPY-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ncccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151290 950070110 /nfs/dbraw/zinc/07/01/10/950070110.db2.gz OSPHYUMFEYYYPY-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574492245 950070745 /nfs/dbraw/zinc/07/07/45/950070745.db2.gz LLIOBVUHCMJQTL-MNOVXSKESA-N -1 3 390.423 0.538 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574492245 950070761 /nfs/dbraw/zinc/07/07/61/950070761.db2.gz LLIOBVUHCMJQTL-MNOVXSKESA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CC(=O)NC1(CNc2ncccc2-c2nnn[n-]2)CCCC1)NC(N)=O ZINC001574492239 950071617 /nfs/dbraw/zinc/07/16/17/950071617.db2.gz LICUDIZQHBWBGN-NSHDSACASA-N -1 3 387.448 0.550 20 0 GCADHM C[C@@H](CC(=O)NC1(CNc2ncccc2-c2nn[n-]n2)CCCC1)NC(N)=O ZINC001574492239 950071633 /nfs/dbraw/zinc/07/16/33/950071633.db2.gz LICUDIZQHBWBGN-NSHDSACASA-N -1 3 387.448 0.550 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575892564 950073338 /nfs/dbraw/zinc/07/33/38/950073338.db2.gz YBANEBXWKREEJV-JQWIXIFHSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575892564 950073355 /nfs/dbraw/zinc/07/33/55/950073355.db2.gz YBANEBXWKREEJV-JQWIXIFHSA-N -1 3 384.400 0.535 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151389 950075769 /nfs/dbraw/zinc/07/57/69/950075769.db2.gz QLLUECORFFHGRV-ZDUSSCGKSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151389 950075789 /nfs/dbraw/zinc/07/57/89/950075789.db2.gz QLLUECORFFHGRV-ZDUSSCGKSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576183051 950075718 /nfs/dbraw/zinc/07/57/18/950075718.db2.gz QNEXCWVZAFXLPK-RISCZKNCSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnnn2C)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576183051 950075739 /nfs/dbraw/zinc/07/57/39/950075739.db2.gz QNEXCWVZAFXLPK-RISCZKNCSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574492309 950078937 /nfs/dbraw/zinc/07/89/37/950078937.db2.gz LZRXTLNUKCEPJL-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574492309 950078956 /nfs/dbraw/zinc/07/89/56/950078956.db2.gz LZRXTLNUKCEPJL-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151449 950081317 /nfs/dbraw/zinc/08/13/17/950081317.db2.gz RFIFBDNHADWHGK-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151449 950081339 /nfs/dbraw/zinc/08/13/39/950081339.db2.gz RFIFBDNHADWHGK-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573836507 950082954 /nfs/dbraw/zinc/08/29/54/950082954.db2.gz MLCQYQYFRJQIIV-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573836507 950082976 /nfs/dbraw/zinc/08/29/76/950082976.db2.gz MLCQYQYFRJQIIV-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575892784 950085505 /nfs/dbraw/zinc/08/55/05/950085505.db2.gz ZLGSBLREORQIMU-CMPLNLGQSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(=O)[nH]n2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575892784 950085525 /nfs/dbraw/zinc/08/55/25/950085525.db2.gz ZLGSBLREORQIMU-CMPLNLGQSA-N -1 3 381.400 0.545 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574732990 950085503 /nfs/dbraw/zinc/08/55/03/950085503.db2.gz OTWGGULUYFYOJV-LURJTMIESA-N -1 3 382.841 0.596 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCOc1ccccc1 ZINC001574976555 950086319 /nfs/dbraw/zinc/08/63/19/950086319.db2.gz VHKYYUUBXZNHFP-LBPRGKRZSA-N -1 3 383.412 0.898 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCOc1ccccc1 ZINC001574976555 950086343 /nfs/dbraw/zinc/08/63/43/950086343.db2.gz VHKYYUUBXZNHFP-LBPRGKRZSA-N -1 3 383.412 0.898 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCc1cccnc1 ZINC001574976622 950088774 /nfs/dbraw/zinc/08/87/74/950088774.db2.gz WUFCWDQOFQOVFJ-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCc1cccnc1 ZINC001574976622 950088796 /nfs/dbraw/zinc/08/87/96/950088796.db2.gz WUFCWDQOFQOVFJ-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574733064 950088958 /nfs/dbraw/zinc/08/89/58/950088958.db2.gz RATOYGWKWPBQKL-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574733064 950088984 /nfs/dbraw/zinc/08/89/84/950088984.db2.gz RATOYGWKWPBQKL-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cn(C)cn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151840 950092958 /nfs/dbraw/zinc/09/29/58/950092958.db2.gz ZFISBHLWLOKHEJ-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cn(C)cn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151840 950092980 /nfs/dbraw/zinc/09/29/80/950092980.db2.gz ZFISBHLWLOKHEJ-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573836815 950093055 /nfs/dbraw/zinc/09/30/55/950093055.db2.gz RXXCJCFGGSOTBK-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573836815 950093077 /nfs/dbraw/zinc/09/30/77/950093077.db2.gz RXXCJCFGGSOTBK-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C)c1 ZINC001574151687 950095288 /nfs/dbraw/zinc/09/52/88/950095288.db2.gz YAKQTBQXKFRCCL-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C)c1 ZINC001574151687 950095309 /nfs/dbraw/zinc/09/53/09/950095309.db2.gz YAKQTBQXKFRCCL-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccnn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151827 950095758 /nfs/dbraw/zinc/09/57/58/950095758.db2.gz YZEWVUTXVPTMKI-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151827 950095778 /nfs/dbraw/zinc/09/57/78/950095778.db2.gz YZEWVUTXVPTMKI-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1ncc(Cl)n1C ZINC001574976756 950097243 /nfs/dbraw/zinc/09/72/43/950097243.db2.gz ZUZOSXUEBOIJDO-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1ncc(Cl)n1C ZINC001574976756 950097264 /nfs/dbraw/zinc/09/72/64/950097264.db2.gz ZUZOSXUEBOIJDO-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574976828 950099684 /nfs/dbraw/zinc/09/96/84/950099684.db2.gz BSKOFPJCOGTFTH-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc2c(c1)CCO2 ZINC001574976828 950099694 /nfs/dbraw/zinc/09/96/94/950099694.db2.gz BSKOFPJCOGTFTH-JTQLQIEISA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)CCOC1 ZINC001575582042 950100849 /nfs/dbraw/zinc/10/08/49/950100849.db2.gz CMBICNCZGMUWMY-FEIHFNIMSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)CCOC1 ZINC001575582042 950100865 /nfs/dbraw/zinc/10/08/65/950100865.db2.gz CMBICNCZGMUWMY-FEIHFNIMSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)c1cnon1 ZINC001576183737 950100977 /nfs/dbraw/zinc/10/09/77/950100977.db2.gz UEHSMNMBIGJJCN-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)c1cnon1 ZINC001576183737 950100990 /nfs/dbraw/zinc/10/09/90/950100990.db2.gz UEHSMNMBIGJJCN-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM CC(C)C[C@H](CNCc1nncs1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574152349 950101055 /nfs/dbraw/zinc/10/10/55/950101055.db2.gz AITRZKQRDZLJTL-LLVKDONJSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)C[C@H](CNCc1nncs1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574152349 950101063 /nfs/dbraw/zinc/10/10/63/950101063.db2.gz AITRZKQRDZLJTL-LLVKDONJSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)c1cnco1 ZINC001576183697 950101434 /nfs/dbraw/zinc/10/14/34/950101434.db2.gz SPGHDTBUIOPTSB-MFKMUULPSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1cnco1 ZINC001576183697 950101445 /nfs/dbraw/zinc/10/14/45/950101445.db2.gz SPGHDTBUIOPTSB-MFKMUULPSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccccc1N(C)C ZINC001574976800 950101862 /nfs/dbraw/zinc/10/18/62/950101862.db2.gz AZXFZGNYZOBBGZ-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccccc1N(C)C ZINC001574976800 950101871 /nfs/dbraw/zinc/10/18/71/950101871.db2.gz AZXFZGNYZOBBGZ-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccccc1N(C)C ZINC001574976801 950101889 /nfs/dbraw/zinc/10/18/89/950101889.db2.gz AZXFZGNYZOBBGZ-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccccc1N(C)C ZINC001574976801 950101898 /nfs/dbraw/zinc/10/18/98/950101898.db2.gz AZXFZGNYZOBBGZ-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)c1cnon1 ZINC001576183738 950102398 /nfs/dbraw/zinc/10/23/98/950102398.db2.gz UEHSMNMBIGJJCN-ZANVPECISA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1cnon1 ZINC001576183738 950102408 /nfs/dbraw/zinc/10/24/08/950102408.db2.gz UEHSMNMBIGJJCN-ZANVPECISA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccn(C(F)F)n1 ZINC001574976825 950102404 /nfs/dbraw/zinc/10/24/04/950102404.db2.gz BRVOKVIZOOUYOD-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccn(C(F)F)n1 ZINC001574976825 950102410 /nfs/dbraw/zinc/10/24/10/950102410.db2.gz BRVOKVIZOOUYOD-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@]1(C(=O)NCC2=CCN(c3ncccc3-c3nnn[n-]3)CC2)CCNC1=O ZINC001575582128 950102791 /nfs/dbraw/zinc/10/27/91/950102791.db2.gz FXEWPUVNHLZJSW-SFHVURJKSA-N -1 3 382.428 0.041 20 0 GCADHM C[C@]1(C(=O)NCC2=CCN(c3ncccc3-c3nn[n-]n3)CC2)CCNC1=O ZINC001575582128 950102801 /nfs/dbraw/zinc/10/28/01/950102801.db2.gz FXEWPUVNHLZJSW-SFHVURJKSA-N -1 3 382.428 0.041 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C)nc1Cl ZINC001574976906 950103938 /nfs/dbraw/zinc/10/39/38/950103938.db2.gz CHVMILUUEOTIDW-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C)nc1Cl ZINC001574976906 950103954 /nfs/dbraw/zinc/10/39/54/950103954.db2.gz CHVMILUUEOTIDW-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574152433 950104711 /nfs/dbraw/zinc/10/47/11/950104711.db2.gz CAZKVSTVVDFBOY-QWHCGFSZSA-N -1 3 387.448 0.228 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574152433 950104724 /nfs/dbraw/zinc/10/47/24/950104724.db2.gz CAZKVSTVVDFBOY-QWHCGFSZSA-N -1 3 387.448 0.228 20 0 GCADHM CC(C)C[C@H](CNCc1nncs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574152439 950105019 /nfs/dbraw/zinc/10/50/19/950105019.db2.gz CFUGJBUAEKPMGA-LLVKDONJSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574152432 950105058 /nfs/dbraw/zinc/10/50/58/950105058.db2.gz CAZKVSTVVDFBOY-OLZOCXBDSA-N -1 3 387.448 0.228 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574152432 950105068 /nfs/dbraw/zinc/10/50/68/950105068.db2.gz CAZKVSTVVDFBOY-OLZOCXBDSA-N -1 3 387.448 0.228 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575894637 950106106 /nfs/dbraw/zinc/10/61/06/950106106.db2.gz FLBNEMUNOKIIMR-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575894637 950106115 /nfs/dbraw/zinc/10/61/15/950106115.db2.gz FLBNEMUNOKIIMR-TVQRCGJNSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1)NC(N)=O ZINC001574492809 950107916 /nfs/dbraw/zinc/10/79/16/950107916.db2.gz CXSJAPKLQLXDLV-QPUJVOFHSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1)NC(N)=O ZINC001574492809 950107933 /nfs/dbraw/zinc/10/79/33/950107933.db2.gz CXSJAPKLQLXDLV-QPUJVOFHSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574977046 950108002 /nfs/dbraw/zinc/10/80/02/950108002.db2.gz FXJDJYGODDVETK-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574977046 950108016 /nfs/dbraw/zinc/10/80/16/950108016.db2.gz FXJDJYGODDVETK-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574977047 950108736 /nfs/dbraw/zinc/10/87/36/950108736.db2.gz FXJDJYGODDVETK-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574977047 950108753 /nfs/dbraw/zinc/10/87/53/950108753.db2.gz FXJDJYGODDVETK-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn2c1CCCC2 ZINC001574977041 950109222 /nfs/dbraw/zinc/10/92/22/950109222.db2.gz FSWWCDXXRAXYOR-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn2c1CCCC2 ZINC001574977041 950109237 /nfs/dbraw/zinc/10/92/37/950109237.db2.gz FSWWCDXXRAXYOR-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574977057 950109332 /nfs/dbraw/zinc/10/93/32/950109332.db2.gz GFTSTTFOBQUSLS-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccnc(C2CC2)n1 ZINC001574977057 950109346 /nfs/dbraw/zinc/10/93/46/950109346.db2.gz GFTSTTFOBQUSLS-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc2c(c1)COC2 ZINC001574977043 950109673 /nfs/dbraw/zinc/10/96/73/950109673.db2.gz FVTLBSSIHHHBCN-SNVBAGLBSA-N -1 3 381.396 0.773 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc2c(c1)COC2 ZINC001574977043 950109687 /nfs/dbraw/zinc/10/96/87/950109687.db2.gz FVTLBSSIHHHBCN-SNVBAGLBSA-N -1 3 381.396 0.773 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573838428 950110247 /nfs/dbraw/zinc/11/02/47/950110247.db2.gz DBCBUPPAZRXWGU-LBPRGKRZSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573838428 950110254 /nfs/dbraw/zinc/11/02/54/950110254.db2.gz DBCBUPPAZRXWGU-LBPRGKRZSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574152551 950110943 /nfs/dbraw/zinc/11/09/43/950110943.db2.gz GEGBKTKHPKUOSB-OCCSQVGLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574152551 950110961 /nfs/dbraw/zinc/11/09/61/950110961.db2.gz GEGBKTKHPKUOSB-OCCSQVGLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574152552 950111318 /nfs/dbraw/zinc/11/13/18/950111318.db2.gz GEGBKTKHPKUOSB-TZMCWYRMSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574152552 950111331 /nfs/dbraw/zinc/11/13/31/950111331.db2.gz GEGBKTKHPKUOSB-TZMCWYRMSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574977231 950111967 /nfs/dbraw/zinc/11/19/67/950111967.db2.gz HQPBOCJAASFUBT-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001574977231 950111980 /nfs/dbraw/zinc/11/19/80/950111980.db2.gz HQPBOCJAASFUBT-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1ccnc1 ZINC001574493052 950112002 /nfs/dbraw/zinc/11/20/02/950112002.db2.gz RAXDETWMOLSMBC-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1ccnc1 ZINC001574493052 950112012 /nfs/dbraw/zinc/11/20/12/950112012.db2.gz RAXDETWMOLSMBC-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573837508 950112968 /nfs/dbraw/zinc/11/29/68/950112968.db2.gz ZTXDBSYZMHSJLS-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573837508 950112988 /nfs/dbraw/zinc/11/29/88/950112988.db2.gz ZTXDBSYZMHSJLS-GOSISDBHSA-N -1 3 389.460 0.978 20 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950121226 /nfs/dbraw/zinc/12/12/26/950121226.db2.gz RGLLHWHVAKWTIR-HIFPTAJRSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574493278 950121673 /nfs/dbraw/zinc/12/16/73/950121673.db2.gz RRYNSHNHDXQTLR-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574493278 950121693 /nfs/dbraw/zinc/12/16/93/950121693.db2.gz RRYNSHNHDXQTLR-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncc(Cl)s1 ZINC001574977574 950122815 /nfs/dbraw/zinc/12/28/15/950122815.db2.gz LPKGKWPQOLNCLR-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncc(Cl)s1 ZINC001574977574 950122835 /nfs/dbraw/zinc/12/28/35/950122835.db2.gz LPKGKWPQOLNCLR-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCNC(N)=O ZINC001574152852 950123591 /nfs/dbraw/zinc/12/35/91/950123591.db2.gz 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LZJSZWSXZPNZBV-JWXAPSBJSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575582705 950125034 /nfs/dbraw/zinc/12/50/34/950125034.db2.gz FZCDTIYYJDPLGO-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575582705 950125052 /nfs/dbraw/zinc/12/50/52/950125052.db2.gz FZCDTIYYJDPLGO-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574977784 950125343 /nfs/dbraw/zinc/12/53/43/950125343.db2.gz NTRPMWBZDSQTPJ-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574977784 950125353 /nfs/dbraw/zinc/12/53/53/950125353.db2.gz NTRPMWBZDSQTPJ-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575896274 950126177 /nfs/dbraw/zinc/12/61/77/950126177.db2.gz LRETWNKMRKKRAL-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM 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C[C@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575896732 950131363 /nfs/dbraw/zinc/13/13/63/950131363.db2.gz NAVKCYMPICPGTH-JQWIXIFHSA-N -1 3 387.473 0.840 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575582889 950134037 /nfs/dbraw/zinc/13/40/37/950134037.db2.gz ILRXWGMLZHARGE-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575582889 950134055 /nfs/dbraw/zinc/13/40/55/950134055.db2.gz ILRXWGMLZHARGE-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574153208 950135059 /nfs/dbraw/zinc/13/50/59/950135059.db2.gz PHASYPWFMREHQO-GXTWGEPZSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574153208 950135066 /nfs/dbraw/zinc/13/50/66/950135066.db2.gz PHASYPWFMREHQO-GXTWGEPZSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCn1ccnn1 ZINC001574153231 950136315 /nfs/dbraw/zinc/13/63/15/950136315.db2.gz POSDBZWGICLJAL-CQSZACIVSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CCn1ccnn1 ZINC001574153231 950136328 /nfs/dbraw/zinc/13/63/28/950136328.db2.gz POSDBZWGICLJAL-CQSZACIVSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575583083 950136875 /nfs/dbraw/zinc/13/68/75/950136875.db2.gz KBMKLUKAMDMYQB-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575583083 950136888 /nfs/dbraw/zinc/13/68/88/950136888.db2.gz KBMKLUKAMDMYQB-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc(N(C)C)cc1 ZINC001574978397 950139761 /nfs/dbraw/zinc/13/97/61/950139761.db2.gz SPYCNQKIOWIBSZ-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc(N(C)C)cc1 ZINC001574978397 950139790 /nfs/dbraw/zinc/13/97/90/950139790.db2.gz 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CZWYRUINYHVJAZ-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cncnc1)C1CC1 ZINC001574983062 950196386 /nfs/dbraw/zinc/19/63/86/950196386.db2.gz JKSHVKNIAPSIST-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cncnc1)C1CC1 ZINC001574983062 950196399 /nfs/dbraw/zinc/19/63/99/950196399.db2.gz JKSHVKNIAPSIST-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2csnn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575900329 950197268 /nfs/dbraw/zinc/19/72/68/950197268.db2.gz DVRPKANAZGQMLQ-IUCAKERBSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2csnn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575900329 950197282 /nfs/dbraw/zinc/19/72/82/950197282.db2.gz DVRPKANAZGQMLQ-IUCAKERBSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574739566 950198771 /nfs/dbraw/zinc/19/87/71/950198771.db2.gz RXTLRBKZPLWCNW-REJLFOLJSA-N -1 3 387.444 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ZINC001574495493 950203153 /nfs/dbraw/zinc/20/31/53/950203153.db2.gz SZNDRROOLASAIM-JTQLQIEISA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNC(=O)c1cnco1 ZINC001576191932 950212795 /nfs/dbraw/zinc/21/27/95/950212795.db2.gz KTXHWOMAZDCCRG-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNC(=O)c1cnco1 ZINC001576191932 950212812 /nfs/dbraw/zinc/21/28/12/950212812.db2.gz KTXHWOMAZDCCRG-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573844963 950212784 /nfs/dbraw/zinc/21/27/84/950212784.db2.gz PFBYKMQSJCJHOD-KGLIPLIRSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573844963 950212804 /nfs/dbraw/zinc/21/28/04/950212804.db2.gz PFBYKMQSJCJHOD-KGLIPLIRSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574739967 950214257 /nfs/dbraw/zinc/21/42/57/950214257.db2.gz AKQADFPVKOUVFP-YPMHNXCESA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574739967 950214273 /nfs/dbraw/zinc/21/42/73/950214273.db2.gz AKQADFPVKOUVFP-YPMHNXCESA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574739941 950216707 /nfs/dbraw/zinc/21/67/07/950216707.db2.gz ZTHYYYAXKFVLDE-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574739941 950216727 /nfs/dbraw/zinc/21/67/27/950216727.db2.gz ZTHYYYAXKFVLDE-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001574983390 950217557 /nfs/dbraw/zinc/21/75/57/950217557.db2.gz OGSXNDRZCAZODF-ZUZCIYMTSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001574983390 950217572 /nfs/dbraw/zinc/21/75/72/950217572.db2.gz OGSXNDRZCAZODF-ZUZCIYMTSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574496551 950218722 /nfs/dbraw/zinc/21/87/22/950218722.db2.gz XGRUJJAWPYMLBI-QWRGUYRKSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574496551 950218738 /nfs/dbraw/zinc/21/87/38/950218738.db2.gz XGRUJJAWPYMLBI-QWRGUYRKSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001574497048 950219947 /nfs/dbraw/zinc/21/99/47/950219947.db2.gz YNSRHYJWQZCDGO-SMDDNHRTSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001574497048 950219967 /nfs/dbraw/zinc/21/99/67/950219967.db2.gz YNSRHYJWQZCDGO-SMDDNHRTSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575586745 950222026 /nfs/dbraw/zinc/22/20/26/950222026.db2.gz JKQLAOIWHYVYEE-ACJLOTCBSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575586745 950222036 /nfs/dbraw/zinc/22/20/36/950222036.db2.gz JKQLAOIWHYVYEE-ACJLOTCBSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575586747 950223460 /nfs/dbraw/zinc/22/34/60/950223460.db2.gz JKQLAOIWHYVYEE-FZKQIMNGSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575586747 950223479 /nfs/dbraw/zinc/22/34/79/950223479.db2.gz JKQLAOIWHYVYEE-FZKQIMNGSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001576192189 950230802 /nfs/dbraw/zinc/23/08/02/950230802.db2.gz MJRKYZQUQMQUKN-MNOVXSKESA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574983677 950231735 /nfs/dbraw/zinc/23/17/35/950231735.db2.gz QOTFKJMUCUFEQL-ZETCQYMHSA-N -1 3 375.780 0.229 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574983677 950231753 /nfs/dbraw/zinc/23/17/53/950231753.db2.gz QOTFKJMUCUFEQL-ZETCQYMHSA-N -1 3 375.780 0.229 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574156217 950232162 /nfs/dbraw/zinc/23/21/62/950232162.db2.gz ZDHQSSORKQCAOY-LBPRGKRZSA-N -1 3 383.416 0.602 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574156217 950232179 /nfs/dbraw/zinc/23/21/79/950232179.db2.gz ZDHQSSORKQCAOY-LBPRGKRZSA-N -1 3 383.416 0.602 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1CCCCO1 ZINC001574740766 950232448 /nfs/dbraw/zinc/23/24/48/950232448.db2.gz GEESJLLRAFKRFE-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1CCCCO1 ZINC001574740766 950232470 /nfs/dbraw/zinc/23/24/70/950232470.db2.gz GEESJLLRAFKRFE-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575587897 950241775 /nfs/dbraw/zinc/24/17/75/950241775.db2.gz OXQGMFVLOCAEDM-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575587897 950241791 /nfs/dbraw/zinc/24/17/91/950241791.db2.gz OXQGMFVLOCAEDM-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)CCNC(=O)C1 ZINC001575587820 950242199 /nfs/dbraw/zinc/24/21/99/950242199.db2.gz OOIZYSTXGLMOOL-APPDUMDISA-N -1 3 389.485 0.535 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)CCNC(=O)C1 ZINC001575587820 950242225 /nfs/dbraw/zinc/24/22/25/950242225.db2.gz OOIZYSTXGLMOOL-APPDUMDISA-N -1 3 389.485 0.535 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1ccccc1 ZINC001574741562 950249317 /nfs/dbraw/zinc/24/93/17/950249317.db2.gz JFKGKXKHSHPNAN-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1ccccc1 ZINC001574741562 950249333 /nfs/dbraw/zinc/24/93/33/950249333.db2.gz JFKGKXKHSHPNAN-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576192446 950249745 /nfs/dbraw/zinc/24/97/45/950249745.db2.gz NEGWTIQUZOFIIK-CMPLNLGQSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576192446 950249760 /nfs/dbraw/zinc/24/97/60/950249760.db2.gz NEGWTIQUZOFIIK-CMPLNLGQSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575902229 950252244 /nfs/dbraw/zinc/25/22/44/950252244.db2.gz TWFUDIIMYBSOTF-BDAKNGLRSA-N -1 3 387.429 0.606 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001574497947 950252310 /nfs/dbraw/zinc/25/23/10/950252310.db2.gz GYMRAXXWLMXCIE-BXUZGUMPSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001574497947 950252323 /nfs/dbraw/zinc/25/23/23/950252323.db2.gz GYMRAXXWLMXCIE-BXUZGUMPSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574497983 950252643 /nfs/dbraw/zinc/25/26/43/950252643.db2.gz HSUZXUHFJRMGMB-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574497983 950252662 /nfs/dbraw/zinc/25/26/62/950252662.db2.gz HSUZXUHFJRMGMB-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574983985 950252899 /nfs/dbraw/zinc/25/28/99/950252899.db2.gz URPCRVLDYNQSQD-MRVPVSSYSA-N -1 3 387.379 0.306 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574983985 950252917 /nfs/dbraw/zinc/25/29/17/950252917.db2.gz URPCRVLDYNQSQD-MRVPVSSYSA-N -1 3 387.379 0.306 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)CCC(=O)NC1 ZINC001575589167 950254269 /nfs/dbraw/zinc/25/42/69/950254269.db2.gz VCOHEPZQMAFSND-PIGZYNQJSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)CCC(=O)NC1 ZINC001575589167 950254289 /nfs/dbraw/zinc/25/42/89/950254289.db2.gz VCOHEPZQMAFSND-PIGZYNQJSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575902415 950255338 /nfs/dbraw/zinc/25/53/38/950255338.db2.gz UPBOAZNSIAFUIY-PWSUYJOCSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575902415 950255367 /nfs/dbraw/zinc/25/53/67/950255367.db2.gz UPBOAZNSIAFUIY-PWSUYJOCSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cnoc1C1CC1 ZINC001574984056 950256566 /nfs/dbraw/zinc/25/65/66/950256566.db2.gz VXNAONZCOCTXLZ-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cnoc1C1CC1 ZINC001574984056 950256585 /nfs/dbraw/zinc/25/65/85/950256585.db2.gz VXNAONZCOCTXLZ-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574498026 950257726 /nfs/dbraw/zinc/25/77/26/950257726.db2.gz INYDCUVSKGUJDA-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574498026 950257746 /nfs/dbraw/zinc/25/77/46/950257746.db2.gz INYDCUVSKGUJDA-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)Cn1cccn1)C1CC1 ZINC001574984034 950258427 /nfs/dbraw/zinc/25/84/27/950258427.db2.gz VCPSIALTXSPXDE-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)Cn1cccn1)C1CC1 ZINC001574984034 950258443 /nfs/dbraw/zinc/25/84/43/950258443.db2.gz VCPSIALTXSPXDE-QGZVFWFLSA-N -1 3 383.416 0.106 20 0 GCADHM CC(C)(C)CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573847072 950258739 /nfs/dbraw/zinc/25/87/39/950258739.db2.gz ZJXAZIVQTYVHKK-JYAVWHMHSA-N -1 3 386.460 0.017 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccn1 ZINC001574498096 950260445 /nfs/dbraw/zinc/26/04/45/950260445.db2.gz JVVNRFARLFNBGE-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccn1 ZINC001574498096 950260466 /nfs/dbraw/zinc/26/04/66/950260466.db2.gz JVVNRFARLFNBGE-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM CC(C)(C)OC(=O)[C@]1(NC[C@@H](O)c2cccc(-c3nnn[n-]3)c2)CCOC1 ZINC001573849848 950263465 /nfs/dbraw/zinc/26/34/65/950263465.db2.gz CXQNIKODUIZJHP-KDOFPFPSSA-N -1 3 375.429 0.991 20 0 GCADHM CC(C)(C)OC(=O)[C@]1(NC[C@@H](O)c2cccc(-c3nn[n-]n3)c2)CCOC1 ZINC001573849848 950263486 /nfs/dbraw/zinc/26/34/86/950263486.db2.gz CXQNIKODUIZJHP-KDOFPFPSSA-N -1 3 375.429 0.991 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001574498202 950264442 /nfs/dbraw/zinc/26/44/42/950264442.db2.gz LDYNDCGHFMTWGK-ZYHUDNBSSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001574498202 950264461 /nfs/dbraw/zinc/26/44/61/950264461.db2.gz LDYNDCGHFMTWGK-ZYHUDNBSSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)C1CCOCC1)C1CC1 ZINC001574984348 950266092 /nfs/dbraw/zinc/26/60/92/950266092.db2.gz XOBXQOUCUSFCCD-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)C1CCOCC1)C1CC1 ZINC001574984348 950266110 /nfs/dbraw/zinc/26/61/10/950266110.db2.gz XOBXQOUCUSFCCD-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCc1nnc(C(F)F)s1 ZINC001574984268 950266236 /nfs/dbraw/zinc/26/62/36/950266236.db2.gz XHMHJCWLQKAFGS-LURJTMIESA-N -1 3 383.388 0.892 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnc(C(F)F)s1 ZINC001574984268 950266251 /nfs/dbraw/zinc/26/62/51/950266251.db2.gz XHMHJCWLQKAFGS-LURJTMIESA-N -1 3 383.388 0.892 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cocn2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576192856 950272901 /nfs/dbraw/zinc/27/29/01/950272901.db2.gz PZUKCVNGDNJBSR-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cocn2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576192856 950272919 /nfs/dbraw/zinc/27/29/19/950272919.db2.gz PZUKCVNGDNJBSR-ZYHUDNBSSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc(C2CC2)o1 ZINC001574742243 950274541 /nfs/dbraw/zinc/27/45/41/950274541.db2.gz JHXFCPAPORFZDE-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc(C2CC2)o1 ZINC001574742243 950274562 /nfs/dbraw/zinc/27/45/62/950274562.db2.gz JHXFCPAPORFZDE-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574984485 950275403 /nfs/dbraw/zinc/27/54/03/950275403.db2.gz YGTLSLRHGURCCR-QMMMGPOBSA-N -1 3 387.379 0.083 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574984485 950275424 /nfs/dbraw/zinc/27/54/24/950275424.db2.gz YGTLSLRHGURCCR-QMMMGPOBSA-N -1 3 387.379 0.083 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1ccnc1 ZINC001574498432 950275915 /nfs/dbraw/zinc/27/59/15/950275915.db2.gz NGHNWANTBCTNNX-VXGBXAGGSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1ccnc1 ZINC001574498432 950275935 /nfs/dbraw/zinc/27/59/35/950275935.db2.gz NGHNWANTBCTNNX-VXGBXAGGSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1ccnc1 ZINC001574498429 950276458 /nfs/dbraw/zinc/27/64/58/950276458.db2.gz NGHNWANTBCTNNX-NEPJUHHUSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1ccnc1 ZINC001574498429 950276481 /nfs/dbraw/zinc/27/64/81/950276481.db2.gz NGHNWANTBCTNNX-NEPJUHHUSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@@H]1CCCO1 ZINC001574742319 950277120 /nfs/dbraw/zinc/27/71/20/950277120.db2.gz OHBMXWSDTQAFHD-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@@H]1CCCO1 ZINC001574742319 950277141 /nfs/dbraw/zinc/27/71/41/950277141.db2.gz OHBMXWSDTQAFHD-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1ccccn1 ZINC001574742340 950283124 /nfs/dbraw/zinc/28/31/24/950283124.db2.gz JXVFXWIQGSWQGI-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1ccccn1 ZINC001574742340 950283147 /nfs/dbraw/zinc/28/31/47/950283147.db2.gz JXVFXWIQGSWQGI-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COc1cccnc1 ZINC001574987397 950286671 /nfs/dbraw/zinc/28/66/71/950286671.db2.gz CANYAYAHRCVNKF-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COc1cccnc1 ZINC001574987397 950286689 /nfs/dbraw/zinc/28/66/89/950286689.db2.gz CANYAYAHRCVNKF-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)n2ncc(-c3nnn[n-]3)c2N)CO1 ZINC001573851369 950291968 /nfs/dbraw/zinc/29/19/68/950291968.db2.gz WIBGWIQKOIXJKM-NXEZZACHSA-N -1 3 377.405 0.813 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574742528 950294348 /nfs/dbraw/zinc/29/43/48/950294348.db2.gz MVZHZLPLAALHDZ-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574742528 950294365 /nfs/dbraw/zinc/29/43/65/950294365.db2.gz MVZHZLPLAALHDZ-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574499084 950295506 /nfs/dbraw/zinc/29/55/06/950295506.db2.gz RYNZRBWPZOWMJB-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCCO1 ZINC001574499084 950295518 /nfs/dbraw/zinc/29/55/18/950295518.db2.gz RYNZRBWPZOWMJB-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)c1ccnn1C ZINC001574742613 950296453 /nfs/dbraw/zinc/29/64/53/950296453.db2.gz PYZAEQPBWXMXEK-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)c1ccnn1C ZINC001574742613 950296470 /nfs/dbraw/zinc/29/64/70/950296470.db2.gz PYZAEQPBWXMXEK-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)c1cncnc1 ZINC001574742642 950297381 /nfs/dbraw/zinc/29/73/81/950297381.db2.gz QHCFPVMQQREDPY-QWRGUYRKSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)c1cncnc1 ZINC001574742642 950297404 /nfs/dbraw/zinc/29/74/04/950297404.db2.gz QHCFPVMQQREDPY-QWRGUYRKSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@H](OCC1CC1)C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574742630 950298033 /nfs/dbraw/zinc/29/80/33/950298033.db2.gz QGWYPVAOGACVIR-WDEREUQCSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](OCC1CC1)C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574742630 950298052 /nfs/dbraw/zinc/29/80/52/950298052.db2.gz QGWYPVAOGACVIR-WDEREUQCSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCn1cccn1 ZINC001574742649 950298218 /nfs/dbraw/zinc/29/82/18/950298218.db2.gz NQAVANPICUAKNR-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCn1cccn1 ZINC001574742649 950298240 /nfs/dbraw/zinc/29/82/40/950298240.db2.gz NQAVANPICUAKNR-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H](C)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574742699 950303149 /nfs/dbraw/zinc/30/31/49/950303149.db2.gz OGZANSBWJJXTJN-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H](C)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574742699 950303169 /nfs/dbraw/zinc/30/31/69/950303169.db2.gz OGZANSBWJJXTJN-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)ccn2)[C@H](CO)C1 ZINC001573852337 950303182 /nfs/dbraw/zinc/30/31/82/950303182.db2.gz 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CC1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001575595117 950347756 /nfs/dbraw/zinc/34/77/56/950347756.db2.gz XVWGYQHAZMZCMO-UHFFFAOYSA-N -1 3 375.433 0.326 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@@H]1CCCO1 ZINC001574988804 950348060 /nfs/dbraw/zinc/34/80/60/950348060.db2.gz VKECQGYJXYFLOF-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574502037 950352713 /nfs/dbraw/zinc/35/27/13/950352713.db2.gz IDPFVMSAPIDBOZ-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574502037 950352733 /nfs/dbraw/zinc/35/27/33/950352733.db2.gz IDPFVMSAPIDBOZ-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC001573854776 950352585 /nfs/dbraw/zinc/35/25/85/950352585.db2.gz GEHMAWVOHHTHIY-JSGCOSHPSA-N -1 3 386.460 0.398 20 0 GCADHM 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ZINC001574502714 950392800 /nfs/dbraw/zinc/39/28/00/950392800.db2.gz QQVPIUHEDOLAFM-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1cn(C(C)(C)C)nn1 ZINC001574745886 950393023 /nfs/dbraw/zinc/39/30/23/950393023.db2.gz LSVYALAOTSXVFA-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1cn(C(C)(C)C)nn1 ZINC001574745886 950393046 /nfs/dbraw/zinc/39/30/46/950393046.db2.gz LSVYALAOTSXVFA-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574991200 950393166 /nfs/dbraw/zinc/39/31/66/950393166.db2.gz IOUBEELDKWTSAG-MNOVXSKESA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574991200 950393183 /nfs/dbraw/zinc/39/31/83/950393183.db2.gz IOUBEELDKWTSAG-MNOVXSKESA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nnn(C(C)(C)C)n1 ZINC001574746321 950394712 /nfs/dbraw/zinc/39/47/12/950394712.db2.gz NLQTVLKXAIBGBK-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nnn(C(C)(C)C)n1 ZINC001574746321 950394729 /nfs/dbraw/zinc/39/47/29/950394729.db2.gz NLQTVLKXAIBGBK-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575597097 950399152 /nfs/dbraw/zinc/39/91/52/950399152.db2.gz LSASTKFNSJQHPG-AEDCBLDQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575597097 950399169 /nfs/dbraw/zinc/39/91/69/950399169.db2.gz LSASTKFNSJQHPG-AEDCBLDQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574503069 950400821 /nfs/dbraw/zinc/40/08/21/950400821.db2.gz SXLZIZMGSAZSSI-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574503069 950400836 /nfs/dbraw/zinc/40/08/36/950400836.db2.gz SXLZIZMGSAZSSI-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574991450 950402834 /nfs/dbraw/zinc/40/28/34/950402834.db2.gz LTRMXMWHGJSEIQ-XPTSAGLGSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001574991450 950402844 /nfs/dbraw/zinc/40/28/44/950402844.db2.gz LTRMXMWHGJSEIQ-XPTSAGLGSA-N -1 3 383.387 0.908 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cn2)CO1 ZINC001573857102 950406167 /nfs/dbraw/zinc/40/61/67/950406167.db2.gz NVTCJXNXIKGCFP-JTQLQIEISA-N -1 3 376.377 0.934 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cn2)CO1 ZINC001573857102 950406189 /nfs/dbraw/zinc/40/61/89/950406189.db2.gz NVTCJXNXIKGCFP-JTQLQIEISA-N -1 3 376.377 0.934 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575597254 950406301 /nfs/dbraw/zinc/40/63/01/950406301.db2.gz MQWVUEKGPSXKQF-SUFBMKPHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575597254 950406312 /nfs/dbraw/zinc/40/63/12/950406312.db2.gz MQWVUEKGPSXKQF-SUFBMKPHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574747517 950408463 /nfs/dbraw/zinc/40/84/63/950408463.db2.gz SZVTUKCGZQQLPR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001574747517 950408474 /nfs/dbraw/zinc/40/84/74/950408474.db2.gz SZVTUKCGZQQLPR-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CCNC(=O)C[C@H](C)NC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574503623 950412343 /nfs/dbraw/zinc/41/23/43/950412343.db2.gz XWMCLWBJKNHSJE-BDAKNGLRSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@H](CCNC(=O)C[C@H](C)NC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574503623 950412361 /nfs/dbraw/zinc/41/23/61/950412361.db2.gz XWMCLWBJKNHSJE-BDAKNGLRSA-N -1 3 379.400 0.154 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001573860025 950413321 /nfs/dbraw/zinc/41/33/21/950413321.db2.gz AJPJXRDOZBDGJQ-CYBMUJFWSA-N -1 3 376.417 0.759 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001573860025 950413337 /nfs/dbraw/zinc/41/33/37/950413337.db2.gz AJPJXRDOZBDGJQ-CYBMUJFWSA-N -1 3 376.417 0.759 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001574503506 950413540 /nfs/dbraw/zinc/41/35/40/950413540.db2.gz XOGZPGKSJGWOCD-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001574503506 950413557 /nfs/dbraw/zinc/41/35/57/950413557.db2.gz XOGZPGKSJGWOCD-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573860039 950416614 /nfs/dbraw/zinc/41/66/14/950416614.db2.gz BHEXDZLCFFFIKY-KRWDZBQOSA-N -1 3 391.432 0.687 20 0 GCADHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573860039 950416624 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YWSYQNXZCHGWKM-VXGBXAGGSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574503710 950418120 /nfs/dbraw/zinc/41/81/20/950418120.db2.gz YWSYQNXZCHGWKM-VXGBXAGGSA-N -1 3 387.448 0.184 20 0 GCADHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573860040 950418779 /nfs/dbraw/zinc/41/87/79/950418779.db2.gz BHEXDZLCFFFIKY-QGZVFWFLSA-N -1 3 391.432 0.687 20 0 GCADHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573860040 950418793 /nfs/dbraw/zinc/41/87/93/950418793.db2.gz BHEXDZLCFFFIKY-QGZVFWFLSA-N -1 3 391.432 0.687 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)c1c[nH]c(=O)n1C ZINC001574163142 950418762 /nfs/dbraw/zinc/41/87/62/950418762.db2.gz QAIWRAFTXQTZPC-NSHDSACASA-N -1 3 385.432 0.957 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)c1c[nH]c(=O)n1C ZINC001574163142 950418776 /nfs/dbraw/zinc/41/87/76/950418776.db2.gz QAIWRAFTXQTZPC-NSHDSACASA-N -1 3 385.432 0.957 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575597865 950424235 /nfs/dbraw/zinc/42/42/35/950424235.db2.gz YHGVDVCZRRRNMJ-IUUKEHGRSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575597865 950424249 /nfs/dbraw/zinc/42/42/49/950424249.db2.gz YHGVDVCZRRRNMJ-IUUKEHGRSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCC1CCOCC1 ZINC001574992028 950428640 /nfs/dbraw/zinc/42/86/40/950428640.db2.gz VMBWGARJBFUALR-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCC1CCOCC1 ZINC001574992028 950428651 /nfs/dbraw/zinc/42/86/51/950428651.db2.gz VMBWGARJBFUALR-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCOC1 ZINC001574750553 950430454 /nfs/dbraw/zinc/43/04/54/950430454.db2.gz CRQSESSOWYGDLW-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCOC1 ZINC001574750553 950430465 /nfs/dbraw/zinc/43/04/65/950430465.db2.gz CRQSESSOWYGDLW-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCO2)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574750643 950434313 /nfs/dbraw/zinc/43/43/13/950434313.db2.gz DZHSCOVRGWAEQN-SECBINFHSA-N -1 3 387.379 0.562 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCO2)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574750643 950434323 /nfs/dbraw/zinc/43/43/23/950434323.db2.gz DZHSCOVRGWAEQN-SECBINFHSA-N -1 3 387.379 0.562 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001574992154 950434964 /nfs/dbraw/zinc/43/49/64/950434964.db2.gz XWXCCRIFTSYSTK-GXSJLCMTSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1ccsc1 ZINC001574992196 950437697 /nfs/dbraw/zinc/43/76/97/950437697.db2.gz YSAGCESTEXKSJB-SECBINFHSA-N -1 3 375.414 0.570 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1ccsc1 ZINC001574992196 950437712 /nfs/dbraw/zinc/43/77/12/950437712.db2.gz YSAGCESTEXKSJB-SECBINFHSA-N -1 3 375.414 0.570 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574750723 950437963 /nfs/dbraw/zinc/43/79/63/950437963.db2.gz GOIQLRCGRJDNLQ-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574750723 950437984 /nfs/dbraw/zinc/43/79/84/950437984.db2.gz GOIQLRCGRJDNLQ-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575600169 950438215 /nfs/dbraw/zinc/43/82/15/950438215.db2.gz UAVNACQCLGUPLD-ADLMAVQZSA-N -1 3 387.419 0.617 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575600169 950438227 /nfs/dbraw/zinc/43/82/27/950438227.db2.gz UAVNACQCLGUPLD-ADLMAVQZSA-N -1 3 387.419 0.617 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCCO1 ZINC001574750989 950447563 /nfs/dbraw/zinc/44/75/63/950447563.db2.gz JYYDSUYTZNLMIW-VXGBXAGGSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCCO1 ZINC001574750989 950447571 /nfs/dbraw/zinc/44/75/71/950447571.db2.gz JYYDSUYTZNLMIW-VXGBXAGGSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001573861605 950450957 /nfs/dbraw/zinc/45/09/57/950450957.db2.gz CNWFHJQKDXYUSY-OLZOCXBDSA-N -1 3 389.416 0.560 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001573861605 950450975 /nfs/dbraw/zinc/45/09/75/950450975.db2.gz CNWFHJQKDXYUSY-OLZOCXBDSA-N -1 3 389.416 0.560 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@@H]2O)CCCOC1 ZINC001575604993 950453315 /nfs/dbraw/zinc/45/33/15/950453315.db2.gz JPHNIIBLRNPSEP-IAISJRAMSA-N -1 3 390.419 0.488 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@@H]2O)CCCOC1 ZINC001575604993 950453326 /nfs/dbraw/zinc/45/33/26/950453326.db2.gz JPHNIIBLRNPSEP-IAISJRAMSA-N -1 3 390.419 0.488 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574751397 950456116 /nfs/dbraw/zinc/45/61/16/950456116.db2.gz MYUQQSMYPZFGIO-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574751397 950456130 /nfs/dbraw/zinc/45/61/30/950456130.db2.gz MYUQQSMYPZFGIO-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cncc(-c2nnn[n-]2)c1)C(C)(C)O ZINC001573861938 950457692 /nfs/dbraw/zinc/45/76/92/950457692.db2.gz LVLLZMFDBCDJCO-GFCCVEGCSA-N -1 3 391.432 0.542 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cncc(-c2nn[n-]n2)c1)C(C)(C)O ZINC001573861938 950457704 /nfs/dbraw/zinc/45/77/04/950457704.db2.gz LVLLZMFDBCDJCO-GFCCVEGCSA-N -1 3 391.432 0.542 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001574166120 950459440 /nfs/dbraw/zinc/45/94/40/950459440.db2.gz MTHIUJLMLCWMDY-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001574166120 950459456 /nfs/dbraw/zinc/45/94/56/950459456.db2.gz MTHIUJLMLCWMDY-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@@H]2O)CCOCC1 ZINC001575605391 950463966 /nfs/dbraw/zinc/46/39/66/950463966.db2.gz NIJMYZCLUPUCIU-OCCSQVGLSA-N -1 3 390.419 0.488 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@@H]2O)CCOCC1 ZINC001575605391 950463981 /nfs/dbraw/zinc/46/39/81/950463981.db2.gz NIJMYZCLUPUCIU-OCCSQVGLSA-N -1 3 390.419 0.488 20 0 GCADHM C[C@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575912243 950465877 /nfs/dbraw/zinc/46/58/77/950465877.db2.gz RAVDJXBDWUSASL-ONGXEEELSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575912243 950465886 /nfs/dbraw/zinc/46/58/86/950465886.db2.gz RAVDJXBDWUSASL-ONGXEEELSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912715 950468453 /nfs/dbraw/zinc/46/84/53/950468453.db2.gz IEFQQIJETRIGBZ-CABZTGNLSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912715 950468466 /nfs/dbraw/zinc/46/84/66/950468466.db2.gz IEFQQIJETRIGBZ-CABZTGNLSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912666 950469810 /nfs/dbraw/zinc/46/98/10/950469810.db2.gz IAIZFGGDUVFILI-CABZTGNLSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912666 950469815 /nfs/dbraw/zinc/46/98/15/950469815.db2.gz IAIZFGGDUVFILI-CABZTGNLSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912717 950470471 /nfs/dbraw/zinc/47/04/71/950470471.db2.gz IEFQQIJETRIGBZ-JOYOIKCWSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912717 950470481 /nfs/dbraw/zinc/47/04/81/950470481.db2.gz IEFQQIJETRIGBZ-JOYOIKCWSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574993875 950472530 /nfs/dbraw/zinc/47/25/30/950472530.db2.gz MTMWLBLQWKWVSY-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574993875 950472541 /nfs/dbraw/zinc/47/25/41/950472541.db2.gz MTMWLBLQWKWVSY-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001575913024 950472685 /nfs/dbraw/zinc/47/26/85/950472685.db2.gz SOOHDGGCIILTEF-VXGBXAGGSA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574166713 950472990 /nfs/dbraw/zinc/47/29/90/950472990.db2.gz WGSFYVHSGQMMBY-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574166713 950473004 /nfs/dbraw/zinc/47/30/04/950473004.db2.gz WGSFYVHSGQMMBY-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc2nccnc2c1 ZINC001574993898 950473128 /nfs/dbraw/zinc/47/31/28/950473128.db2.gz NEOLKMVSHGCYDE-SECBINFHSA-N -1 3 392.383 0.081 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc2nccnc2c1 ZINC001574993898 950473148 /nfs/dbraw/zinc/47/31/48/950473148.db2.gz NEOLKMVSHGCYDE-SECBINFHSA-N -1 3 392.383 0.081 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCn1cccn1 ZINC001574752198 950478582 /nfs/dbraw/zinc/47/85/82/950478582.db2.gz VLZMMHLFJKLOJT-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCn1cccn1 ZINC001574752198 950478593 /nfs/dbraw/zinc/47/85/93/950478593.db2.gz VLZMMHLFJKLOJT-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574994345 950479396 /nfs/dbraw/zinc/47/93/96/950479396.db2.gz QJXPJGYVUOWYHE-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574994345 950479409 /nfs/dbraw/zinc/47/94/09/950479409.db2.gz QJXPJGYVUOWYHE-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM CC1CCN(CC(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CCC2)CC1 ZINC001576204880 950481442 /nfs/dbraw/zinc/48/14/42/950481442.db2.gz DFMNXZSICJOFAY-UHFFFAOYSA-N -1 3 385.476 0.839 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574752371 950482496 /nfs/dbraw/zinc/48/24/96/950482496.db2.gz VXSXAMJPWVWUPR-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574752371 950482510 /nfs/dbraw/zinc/48/25/10/950482510.db2.gz VXSXAMJPWVWUPR-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc2n1CCCC2 ZINC001574994666 950492707 /nfs/dbraw/zinc/49/27/07/950492707.db2.gz WMXDOOHLSMUUTN-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc2n1CCCC2 ZINC001574994666 950492719 /nfs/dbraw/zinc/49/27/19/950492719.db2.gz WMXDOOHLSMUUTN-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575913916 950493188 /nfs/dbraw/zinc/49/31/88/950493188.db2.gz KHRJMJMMERAPSH-CMPLNLGQSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575913916 950493201 /nfs/dbraw/zinc/49/32/01/950493201.db2.gz KHRJMJMMERAPSH-CMPLNLGQSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575914605 950496201 /nfs/dbraw/zinc/49/62/01/950496201.db2.gz LMWAUXBHQGMFQC-OCCSQVGLSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575914605 950496217 /nfs/dbraw/zinc/49/62/17/950496217.db2.gz LMWAUXBHQGMFQC-OCCSQVGLSA-N -1 3 386.460 0.922 20 0 GCADHM CC(C)(C)OCC(=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573864099 950498061 /nfs/dbraw/zinc/49/80/61/950498061.db2.gz ZIHHZFNLZUDKPI-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573864099 950498070 /nfs/dbraw/zinc/49/80/70/950498070.db2.gz ZIHHZFNLZUDKPI-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574995009 950501951 /nfs/dbraw/zinc/50/19/51/950501951.db2.gz BZZYOJIXYNZFEY-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574995009 950501965 /nfs/dbraw/zinc/50/19/65/950501965.db2.gz BZZYOJIXYNZFEY-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573866546 950505214 /nfs/dbraw/zinc/50/52/14/950505214.db2.gz HBGYCNFPCGXONC-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573866546 950505227 /nfs/dbraw/zinc/50/52/27/950505227.db2.gz HBGYCNFPCGXONC-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574753015 950507227 /nfs/dbraw/zinc/50/72/27/950507227.db2.gz IHIKYWRRUZCCBV-MRVPVSSYSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574753015 950507243 /nfs/dbraw/zinc/50/72/43/950507243.db2.gz IHIKYWRRUZCCBV-MRVPVSSYSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574995392 950511753 /nfs/dbraw/zinc/51/17/53/950511753.db2.gz ZJEHQBUNUUMIRX-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnc(N(C)C)c1 ZINC001574995392 950511759 /nfs/dbraw/zinc/51/17/59/950511759.db2.gz ZJEHQBUNUUMIRX-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575608078 950513039 /nfs/dbraw/zinc/51/30/39/950513039.db2.gz MTKHBOXERGEDGG-PISHQANHSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575608078 950513059 /nfs/dbraw/zinc/51/30/59/950513059.db2.gz MTKHBOXERGEDGG-PISHQANHSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575608051 950513269 /nfs/dbraw/zinc/51/32/69/950513269.db2.gz MOZKEPGNKXEYEH-BFQNTYOBSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575608051 950513283 /nfs/dbraw/zinc/51/32/83/950513283.db2.gz MOZKEPGNKXEYEH-BFQNTYOBSA-N -1 3 391.457 0.288 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573866752 950515910 /nfs/dbraw/zinc/51/59/10/950515910.db2.gz LEEQCOMXDHISBQ-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573866752 950515928 /nfs/dbraw/zinc/51/59/28/950515928.db2.gz LEEQCOMXDHISBQ-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573866753 950516941 /nfs/dbraw/zinc/51/69/41/950516941.db2.gz LEEQCOMXDHISBQ-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573866753 950516970 /nfs/dbraw/zinc/51/69/70/950516970.db2.gz LEEQCOMXDHISBQ-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575608752 950517686 /nfs/dbraw/zinc/51/76/86/950517686.db2.gz RFLWIETXGPEUFN-AEDCBLDQSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575608752 950517699 /nfs/dbraw/zinc/51/76/99/950517699.db2.gz RFLWIETXGPEUFN-AEDCBLDQSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573867109 950525315 /nfs/dbraw/zinc/52/53/15/950525315.db2.gz PKQUVQKKLAAVRQ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573867109 950525337 /nfs/dbraw/zinc/52/53/37/950525337.db2.gz PKQUVQKKLAAVRQ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574753568 950532860 /nfs/dbraw/zinc/53/28/60/950532860.db2.gz PKAVGYQWEVLAOS-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574753568 950532868 /nfs/dbraw/zinc/53/28/68/950532868.db2.gz PKAVGYQWEVLAOS-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H]1[C@@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575916378 950533278 /nfs/dbraw/zinc/53/32/78/950533278.db2.gz YWRRLNMNWAJXPX-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575916378 950533298 /nfs/dbraw/zinc/53/32/98/950533298.db2.gz YWRRLNMNWAJXPX-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575916567 950539062 /nfs/dbraw/zinc/53/90/62/950539062.db2.gz QLJWJNPMEJUSPN-JOYOIKCWSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575916567 950539081 /nfs/dbraw/zinc/53/90/81/950539081.db2.gz QLJWJNPMEJUSPN-JOYOIKCWSA-N -1 3 382.384 0.669 20 0 GCADHM CC(C)CCC(=O)N1CCC(CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574170523 950542836 /nfs/dbraw/zinc/54/28/36/950542836.db2.gz IRUVSEUKCGNCHT-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N1CCC(CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574170523 950542852 /nfs/dbraw/zinc/54/28/52/950542852.db2.gz IRUVSEUKCGNCHT-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574753807 950544639 /nfs/dbraw/zinc/54/46/39/950544639.db2.gz SQPZBNSCQCKTIP-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574753807 950544659 /nfs/dbraw/zinc/54/46/59/950544659.db2.gz SQPZBNSCQCKTIP-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM CC(C)CCC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574170860 950549119 /nfs/dbraw/zinc/54/91/19/950549119.db2.gz MZGXZFPMWWIYCD-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574170860 950549136 /nfs/dbraw/zinc/54/91/36/950549136.db2.gz MZGXZFPMWWIYCD-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc2n[nH]nc2n1 ZINC001575916780 950549864 /nfs/dbraw/zinc/54/98/64/950549864.db2.gz RXDQYACGHGQNLR-ONGXEEELSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc2n[nH]nc2n1 ZINC001575916780 950549883 /nfs/dbraw/zinc/54/98/83/950549883.db2.gz RXDQYACGHGQNLR-ONGXEEELSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nsc(N(C)C)n1 ZINC001574997712 950549964 /nfs/dbraw/zinc/54/99/64/950549964.db2.gz XBSCINZZQGVWOL-MRVPVSSYSA-N -1 3 376.450 0.020 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nsc(N(C)C)n1 ZINC001574997712 950549983 /nfs/dbraw/zinc/54/99/83/950549983.db2.gz XBSCINZZQGVWOL-MRVPVSSYSA-N -1 3 376.450 0.020 20 0 GCADHM CC(C)CCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574170797 950551002 /nfs/dbraw/zinc/55/10/02/950551002.db2.gz MBXUKBYICVHARL-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574170797 950551016 /nfs/dbraw/zinc/55/10/16/950551016.db2.gz MBXUKBYICVHARL-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4ncc(-c5nnn[n-]5)cc4Cl)C[C@H]32)CCOC1 ZINC001575614782 950552677 /nfs/dbraw/zinc/55/26/77/950552677.db2.gz PPUJNILDEIIDBU-JJTUWOBKSA-N 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C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCN1CCOCC1 ZINC001575917324 950564484 /nfs/dbraw/zinc/56/44/84/950564484.db2.gz WKIHEPUVYCTFDD-ZFWWWQNUSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCN1CCOCC1 ZINC001575917324 950564500 /nfs/dbraw/zinc/56/45/00/950564500.db2.gz WKIHEPUVYCTFDD-ZFWWWQNUSA-N -1 3 386.460 0.385 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575615567 950566244 /nfs/dbraw/zinc/56/62/44/950566244.db2.gz BEXBWFKBJQXZGN-NSHDSACASA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575615567 950566261 /nfs/dbraw/zinc/56/62/61/950566261.db2.gz BEXBWFKBJQXZGN-NSHDSACASA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575917329 950566125 /nfs/dbraw/zinc/56/61/25/950566125.db2.gz WMXRHVVKRRJZFU-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575917329 950566139 /nfs/dbraw/zinc/56/61/39/950566139.db2.gz WMXRHVVKRRJZFU-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001573869658 950568517 /nfs/dbraw/zinc/56/85/17/950568517.db2.gz AUATZLVGPKFGFZ-INIZCTEOSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001573869658 950568538 /nfs/dbraw/zinc/56/85/38/950568538.db2.gz AUATZLVGPKFGFZ-INIZCTEOSA-N -1 3 388.472 0.999 20 0 GCADHM CC1(C)C(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1(C)C ZINC001575615748 950569929 /nfs/dbraw/zinc/56/99/29/950569929.db2.gz FLJQUFPEXWERAZ-UHFFFAOYSA-N -1 3 389.460 0.428 20 0 GCADHM CC1(C)C(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1(C)C ZINC001575615748 950569946 /nfs/dbraw/zinc/56/99/46/950569946.db2.gz FLJQUFPEXWERAZ-UHFFFAOYSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)n1cccc1 ZINC001574511918 950574396 /nfs/dbraw/zinc/57/43/96/950574396.db2.gz WFDRLEAWMCBMKU-APHBMKBZSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)n1cccc1 ZINC001574511918 950574416 /nfs/dbraw/zinc/57/44/16/950574416.db2.gz WFDRLEAWMCBMKU-APHBMKBZSA-N -1 3 382.428 0.380 20 0 GCADHM CC(C)CCC(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2 ZINC001574172155 950576222 /nfs/dbraw/zinc/57/62/22/950576222.db2.gz ZOZFJLNSRBBPEJ-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CCC(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001574172155 950576242 /nfs/dbraw/zinc/57/62/42/950576242.db2.gz ZOZFJLNSRBBPEJ-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575615772 950576720 /nfs/dbraw/zinc/57/67/20/950576720.db2.gz HBTJUMMVIJUDLH-LLVKDONJSA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575615772 950576741 /nfs/dbraw/zinc/57/67/41/950576741.db2.gz HBTJUMMVIJUDLH-LLVKDONJSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1ncnn1C(C)(C)C ZINC001574754601 950578092 /nfs/dbraw/zinc/57/80/92/950578092.db2.gz NMEZFBBAACTOKU-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM CC(C)CCC(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001574172147 950579861 /nfs/dbraw/zinc/57/98/61/950579861.db2.gz ZNMYRKBKPDMKIP-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CCC(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001574172147 950579878 /nfs/dbraw/zinc/57/98/78/950579878.db2.gz ZNMYRKBKPDMKIP-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C)NC(N)=O ZINC001574512795 950584354 /nfs/dbraw/zinc/58/43/54/950584354.db2.gz CNUZCVBMOWCRSJ-UMNHJUIQSA-N -1 3 390.423 0.536 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C)NC(N)=O ZINC001574512795 950584371 /nfs/dbraw/zinc/58/43/71/950584371.db2.gz CNUZCVBMOWCRSJ-UMNHJUIQSA-N -1 3 390.423 0.536 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917604 950584982 /nfs/dbraw/zinc/58/49/82/950584982.db2.gz ZWMKVGWTHKHIGF-YPMHNXCESA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917604 950585005 /nfs/dbraw/zinc/58/50/05/950585005.db2.gz ZWMKVGWTHKHIGF-YPMHNXCESA-N -1 3 380.412 0.676 20 0 GCADHM CC(C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574173154 950591076 /nfs/dbraw/zinc/59/10/76/950591076.db2.gz GLJDGENNEAQSCY-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574173154 950591088 /nfs/dbraw/zinc/59/10/88/950591088.db2.gz GLJDGENNEAQSCY-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnoc1C1CC1 ZINC001574755189 950591124 /nfs/dbraw/zinc/59/11/24/950591124.db2.gz SQWQBEFWEIYNTD-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnoc1C1CC1 ZINC001574755189 950591146 /nfs/dbraw/zinc/59/11/46/950591146.db2.gz SQWQBEFWEIYNTD-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CCC(=O)N1CCOC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001574173297 950592444 /nfs/dbraw/zinc/59/24/44/950592444.db2.gz HEOATQGIUSVBFD-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CCC(=O)N1CCOC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001574173297 950592452 /nfs/dbraw/zinc/59/24/52/950592452.db2.gz HEOATQGIUSVBFD-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ocnc1C1CC1 ZINC001574755333 950595430 /nfs/dbraw/zinc/59/54/30/950595430.db2.gz USYDPXPGPKEYJX-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ocnc1C1CC1 ZINC001574755333 950595451 /nfs/dbraw/zinc/59/54/51/950595451.db2.gz USYDPXPGPKEYJX-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573870547 950596084 /nfs/dbraw/zinc/59/60/84/950596084.db2.gz ICURNJBTTWRXJQ-HNNXBMFYSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573870547 950596100 /nfs/dbraw/zinc/59/61/00/950596100.db2.gz ICURNJBTTWRXJQ-HNNXBMFYSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573870535 950597355 /nfs/dbraw/zinc/59/73/55/950597355.db2.gz HRWUGFYOSVHCKV-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)NCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573870535 950597376 /nfs/dbraw/zinc/59/73/76/950597376.db2.gz HRWUGFYOSVHCKV-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574173661 950598123 /nfs/dbraw/zinc/59/81/23/950598123.db2.gz KSNGIPLOUMJPCL-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574173661 950598137 /nfs/dbraw/zinc/59/81/37/950598137.db2.gz KSNGIPLOUMJPCL-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574756298 950602451 /nfs/dbraw/zinc/60/24/51/950602451.db2.gz YPORESQWTPXWLX-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574756298 950602460 /nfs/dbraw/zinc/60/24/60/950602460.db2.gz YPORESQWTPXWLX-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575000406 950603703 /nfs/dbraw/zinc/60/37/03/950603703.db2.gz CKLPJCPBBGROAO-QGZVFWFLSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575000406 950603714 /nfs/dbraw/zinc/60/37/14/950603714.db2.gz CKLPJCPBBGROAO-QGZVFWFLSA-N -1 3 386.391 0.991 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574173717 950604384 /nfs/dbraw/zinc/60/43/84/950604384.db2.gz LZTKWCKKKQPQAX-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574173717 950604397 /nfs/dbraw/zinc/60/43/97/950604397.db2.gz LZTKWCKKKQPQAX-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H]1[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CS(C)(=O)=O ZINC001575918997 950606158 /nfs/dbraw/zinc/60/61/58/950606158.db2.gz FJRGQHJFPMMGEX-GXSJLCMTSA-N -1 3 382.421 0.452 20 0 GCADHM C[C@H]1[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CS(C)(=O)=O ZINC001575918997 950606169 /nfs/dbraw/zinc/60/61/69/950606169.db2.gz FJRGQHJFPMMGEX-GXSJLCMTSA-N -1 3 382.421 0.452 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573870883 950606515 /nfs/dbraw/zinc/60/65/15/950606515.db2.gz ZCOHFZIOROLLKI-BXUZGUMPSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573870883 950606521 /nfs/dbraw/zinc/60/65/21/950606521.db2.gz ZCOHFZIOROLLKI-BXUZGUMPSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574173963 950611188 /nfs/dbraw/zinc/61/11/88/950611188.db2.gz PGEBLDPGCWUQCR-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574173963 950611202 /nfs/dbraw/zinc/61/12/02/950611202.db2.gz PGEBLDPGCWUQCR-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574173938 950611927 /nfs/dbraw/zinc/61/19/27/950611927.db2.gz BWAZRFWFJCKTRT-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574173938 950611940 /nfs/dbraw/zinc/61/19/40/950611940.db2.gz BWAZRFWFJCKTRT-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2ncccc2-c2nnn[n-]2)CCO1 ZINC001573871346 950614865 /nfs/dbraw/zinc/61/48/65/950614865.db2.gz OIMIOMJLIPDLLX-GOSISDBHSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@]1(C)CN(c2ncccc2-c2nn[n-]n2)CCO1 ZINC001573871346 950614882 /nfs/dbraw/zinc/61/48/82/950614882.db2.gz OIMIOMJLIPDLLX-GOSISDBHSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574174004 950616226 /nfs/dbraw/zinc/61/62/26/950616226.db2.gz CYSNICMVIPDHHX-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574174004 950616237 /nfs/dbraw/zinc/61/62/37/950616237.db2.gz CYSNICMVIPDHHX-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000879 950617718 /nfs/dbraw/zinc/61/77/18/950617718.db2.gz HPFVNJOCONYEEH-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000879 950617739 /nfs/dbraw/zinc/61/77/39/950617739.db2.gz HPFVNJOCONYEEH-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC1(C)C(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)C1(C)C ZINC001575619087 950617651 /nfs/dbraw/zinc/61/76/51/950617651.db2.gz MPXBDYPSFDCKSQ-STQMWFEESA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)C1(C)C ZINC001575619087 950617679 /nfs/dbraw/zinc/61/76/79/950617679.db2.gz MPXBDYPSFDCKSQ-STQMWFEESA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1(C)C ZINC001575619134 950618503 /nfs/dbraw/zinc/61/85/03/950618503.db2.gz MXZDRVMRSHWGDA-UHFFFAOYSA-N -1 3 389.460 0.428 20 0 GCADHM CC1(C)C(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1(C)C ZINC001575619134 950618517 /nfs/dbraw/zinc/61/85/17/950618517.db2.gz MXZDRVMRSHWGDA-UHFFFAOYSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573871533 950619850 /nfs/dbraw/zinc/61/98/50/950619850.db2.gz RBHBOGRXDRZDFJ-SNVBAGLBSA-N -1 3 383.840 0.619 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573871533 950619864 /nfs/dbraw/zinc/61/98/64/950619864.db2.gz RBHBOGRXDRZDFJ-SNVBAGLBSA-N -1 3 383.840 0.619 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573871427 950620154 /nfs/dbraw/zinc/62/01/54/950620154.db2.gz PYZVFXXNFIYOQF-ZDUSSCGKSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573871427 950620164 /nfs/dbraw/zinc/62/01/64/950620164.db2.gz PYZVFXXNFIYOQF-ZDUSSCGKSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001576208987 950620533 /nfs/dbraw/zinc/62/05/33/950620533.db2.gz XMTXGBGYRXNKIC-UKRRQHHQSA-N -1 3 385.476 0.330 20 0 GCADHM CC1(C)C(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1(C)C ZINC001575619864 950622200 /nfs/dbraw/zinc/62/22/00/950622200.db2.gz RJSOEHBEMGNPBP-UHFFFAOYSA-N -1 3 387.444 0.180 20 0 GCADHM CC1(C)C(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1(C)C ZINC001575619864 950622222 /nfs/dbraw/zinc/62/22/22/950622222.db2.gz RJSOEHBEMGNPBP-UHFFFAOYSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001573871611 950622646 /nfs/dbraw/zinc/62/26/46/950622646.db2.gz TUFORXHKEBTHDE-UHFFFAOYSA-N -1 3 375.433 0.779 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001573871611 950622667 /nfs/dbraw/zinc/62/26/67/950622667.db2.gz TUFORXHKEBTHDE-UHFFFAOYSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001575001147 950623914 /nfs/dbraw/zinc/62/39/14/950623914.db2.gz UHFGWWQYBBDQEP-SECBINFHSA-N -1 3 386.391 0.911 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001575001147 950623925 /nfs/dbraw/zinc/62/39/25/950623925.db2.gz UHFGWWQYBBDQEP-SECBINFHSA-N -1 3 386.391 0.911 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575001195 950628657 /nfs/dbraw/zinc/62/86/57/950628657.db2.gz VEFMOMXENICRJB-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575001195 950628671 /nfs/dbraw/zinc/62/86/71/950628671.db2.gz VEFMOMXENICRJB-SSDOTTSWSA-N -1 3 391.342 0.471 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573871994 950630308 /nfs/dbraw/zinc/63/03/08/950630308.db2.gz YJVPLBVMSADHMB-PHIMTYICSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573871994 950630316 /nfs/dbraw/zinc/63/03/16/950630316.db2.gz YJVPLBVMSADHMB-PHIMTYICSA-N -1 3 375.433 0.635 20 0 GCADHM CC1(C)C(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1(C)C ZINC001575620408 950632480 /nfs/dbraw/zinc/63/24/80/950632480.db2.gz XRIADLYQNDNHCP-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1(C)C ZINC001575620408 950632492 /nfs/dbraw/zinc/63/24/92/950632492.db2.gz XRIADLYQNDNHCP-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)[C@@H](C(N)=O)C1 ZINC001576213518 950633069 /nfs/dbraw/zinc/63/30/69/950633069.db2.gz BNBNXOYCQIPLCJ-WCBMZHEXSA-N -1 3 384.849 0.795 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)[C@@H](C(N)=O)C1 ZINC001576213518 950633085 /nfs/dbraw/zinc/63/30/85/950633085.db2.gz BNBNXOYCQIPLCJ-WCBMZHEXSA-N -1 3 384.849 0.795 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)[C@@H](C(N)=O)C1 ZINC001576213516 950633806 /nfs/dbraw/zinc/63/38/06/950633806.db2.gz BNBNXOYCQIPLCJ-PSASIEDQSA-N -1 3 384.849 0.795 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)[C@@H](C(N)=O)C1 ZINC001576213516 950633813 /nfs/dbraw/zinc/63/38/13/950633813.db2.gz BNBNXOYCQIPLCJ-PSASIEDQSA-N -1 3 384.849 0.795 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574759298 950634666 /nfs/dbraw/zinc/63/46/66/950634666.db2.gz MOSBHOFOHRNQDM-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574759298 950634676 /nfs/dbraw/zinc/63/46/76/950634676.db2.gz MOSBHOFOHRNQDM-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)n1ccnc1 ZINC001574516969 950642870 /nfs/dbraw/zinc/64/28/70/950642870.db2.gz JJWBGOUDZUBUHG-PVTKRXDGSA-N -1 3 380.416 0.055 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001574174714 950644409 /nfs/dbraw/zinc/64/44/09/950644409.db2.gz JPHXNIMQERTTSJ-JSGCOSHPSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001574174714 950644427 /nfs/dbraw/zinc/64/44/27/950644427.db2.gz JPHXNIMQERTTSJ-JSGCOSHPSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575001871 950647506 /nfs/dbraw/zinc/64/75/06/950647506.db2.gz NTSZIDHJEZLAKC-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM C[C@H](CNC(=O)c1cc2c([nH]1)CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575001871 950647518 /nfs/dbraw/zinc/64/75/18/950647518.db2.gz NTSZIDHJEZLAKC-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574517695 950647683 /nfs/dbraw/zinc/64/76/83/950647683.db2.gz LMEWFQKYIRFSDW-DNVSUFBTSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574517695 950647695 /nfs/dbraw/zinc/64/76/95/950647695.db2.gz LMEWFQKYIRFSDW-DNVSUFBTSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001574518333 950651060 /nfs/dbraw/zinc/65/10/60/950651060.db2.gz NYGIAXDSNZGVDZ-MCYUEQNJSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001574518333 950651072 /nfs/dbraw/zinc/65/10/72/950651072.db2.gz NYGIAXDSNZGVDZ-MCYUEQNJSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)no1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575002286 950654623 /nfs/dbraw/zinc/65/46/23/950654623.db2.gz RCFILGFCORIWHB-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)no1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575002286 950654633 /nfs/dbraw/zinc/65/46/33/950654633.db2.gz RCFILGFCORIWHB-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574518354 950655432 /nfs/dbraw/zinc/65/54/32/950655432.db2.gz ODHIFBXAFJZOEJ-QXEWZRGKSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574518354 950655448 /nfs/dbraw/zinc/65/54/48/950655448.db2.gz ODHIFBXAFJZOEJ-QXEWZRGKSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574518358 950655729 /nfs/dbraw/zinc/65/57/29/950655729.db2.gz OEIUKRZJBNERPZ-SRVKXCTJSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574518358 950655746 /nfs/dbraw/zinc/65/57/46/950655746.db2.gz OEIUKRZJBNERPZ-SRVKXCTJSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575002344 950660783 /nfs/dbraw/zinc/66/07/83/950660783.db2.gz SSHKCVJJSGRLGS-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575002344 950660794 /nfs/dbraw/zinc/66/07/94/950660794.db2.gz SSHKCVJJSGRLGS-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574518956 950662791 /nfs/dbraw/zinc/66/27/91/950662791.db2.gz AILOGKCHSZGOSE-LBPRGKRZSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574518956 950662812 /nfs/dbraw/zinc/66/28/12/950662812.db2.gz AILOGKCHSZGOSE-LBPRGKRZSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575002599 950665039 /nfs/dbraw/zinc/66/50/39/950665039.db2.gz VUWJLFNYQRMHHI-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575002599 950665044 /nfs/dbraw/zinc/66/50/44/950665044.db2.gz VUWJLFNYQRMHHI-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001574175855 950667103 /nfs/dbraw/zinc/66/71/03/950667103.db2.gz RQBVDIRINPQPKN-FZMZJTMJSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001574175855 950667118 /nfs/dbraw/zinc/66/71/18/950667118.db2.gz RQBVDIRINPQPKN-FZMZJTMJSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574519034 950668627 /nfs/dbraw/zinc/66/86/27/950668627.db2.gz AQUPCULTFFDAMN-WCQYABFASA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574519034 950668643 /nfs/dbraw/zinc/66/86/43/950668643.db2.gz AQUPCULTFFDAMN-WCQYABFASA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575005426 950684179 /nfs/dbraw/zinc/68/41/79/950684179.db2.gz DSGDONWOCZWOFL-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575005426 950684194 /nfs/dbraw/zinc/68/41/94/950684194.db2.gz DSGDONWOCZWOFL-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575005534 950690172 /nfs/dbraw/zinc/69/01/72/950690172.db2.gz HLKMSKMZCDMTEJ-BJOHPYRUSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001575005534 950690186 /nfs/dbraw/zinc/69/01/86/950690186.db2.gz HLKMSKMZCDMTEJ-BJOHPYRUSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575005535 950690568 /nfs/dbraw/zinc/69/05/68/950690568.db2.gz HLKMSKMZCDMTEJ-PSLIRLAXSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@H]1CC1(F)F)C1CC1 ZINC001575005535 950690581 /nfs/dbraw/zinc/69/05/81/950690581.db2.gz HLKMSKMZCDMTEJ-PSLIRLAXSA-N -1 3 379.371 0.865 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)C1 ZINC001575625613 950692062 /nfs/dbraw/zinc/69/20/62/950692062.db2.gz VIODOYCVTPUDGA-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)C1 ZINC001575625613 950692077 /nfs/dbraw/zinc/69/20/77/950692077.db2.gz VIODOYCVTPUDGA-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576215291 950692073 /nfs/dbraw/zinc/69/20/73/950692073.db2.gz AKOUDSWNOUALBR-GHMZBOCLSA-N -1 3 382.432 0.038 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576215215 950692177 /nfs/dbraw/zinc/69/21/77/950692177.db2.gz DRWPTXOEDGHPCV-NXEZZACHSA-N -1 3 382.432 0.735 20 0 GCADHM CC(C)CCC(=O)NCCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574178889 950692690 /nfs/dbraw/zinc/69/26/90/950692690.db2.gz CXJPLNDISDKBDU-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)CCC(=O)NCCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574178889 950692698 /nfs/dbraw/zinc/69/26/98/950692698.db2.gz CXJPLNDISDKBDU-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576215363 950695942 /nfs/dbraw/zinc/69/59/42/950695942.db2.gz FREIABWJYVFZSU-MEBBXXQBSA-N -1 3 382.432 0.616 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001574179071 950696725 /nfs/dbraw/zinc/69/67/25/950696725.db2.gz AFZNYSJKKBBTQL-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001574179071 950696738 /nfs/dbraw/zinc/69/67/38/950696738.db2.gz AFZNYSJKKBBTQL-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576215361 950697419 /nfs/dbraw/zinc/69/74/19/950697419.db2.gz FREIABWJYVFZSU-BONVTDFDSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575005700 950698163 /nfs/dbraw/zinc/69/81/63/950698163.db2.gz LFDASQFMXVRLSF-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575005700 950698171 /nfs/dbraw/zinc/69/81/71/950698171.db2.gz LFDASQFMXVRLSF-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574519886 950699763 /nfs/dbraw/zinc/69/97/63/950699763.db2.gz JLVDAEUGQHYAPN-QWRGUYRKSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574519886 950699783 /nfs/dbraw/zinc/69/97/83/950699783.db2.gz JLVDAEUGQHYAPN-QWRGUYRKSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574762133 950700050 /nfs/dbraw/zinc/70/00/50/950700050.db2.gz VONVKGVXDUFLOA-QMMMGPOBSA-N -1 3 391.823 0.927 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573878217 950701170 /nfs/dbraw/zinc/70/11/70/950701170.db2.gz LDDZZYFAABPVKT-HBJVGIJOSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573878217 950701182 /nfs/dbraw/zinc/70/11/82/950701182.db2.gz LDDZZYFAABPVKT-HBJVGIJOSA-N -1 3 387.444 0.179 20 0 GCADHM CC1(C)CC(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575626071 950704778 /nfs/dbraw/zinc/70/47/78/950704778.db2.gz WUZLULKJWFLBMG-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC1(C)CC(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575626071 950704791 /nfs/dbraw/zinc/70/47/91/950704791.db2.gz WUZLULKJWFLBMG-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573878554 950714076 /nfs/dbraw/zinc/71/40/76/950714076.db2.gz UHUQHSFOWCGAPV-DMTCVQMQSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573878554 950714092 /nfs/dbraw/zinc/71/40/92/950714092.db2.gz UHUQHSFOWCGAPV-DMTCVQMQSA-N -1 3 387.444 0.179 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573878656 950717513 /nfs/dbraw/zinc/71/75/13/950717513.db2.gz YMEPWLOZOYYPQW-HBNTYKKESA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573878656 950717524 /nfs/dbraw/zinc/71/75/24/950717524.db2.gz YMEPWLOZOYYPQW-HBNTYKKESA-N -1 3 375.433 0.084 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001575006852 950723433 /nfs/dbraw/zinc/72/34/33/950723433.db2.gz XDVWKIDEFCEAHZ-BBATYDOGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001575006852 950723445 /nfs/dbraw/zinc/72/34/45/950723445.db2.gz XDVWKIDEFCEAHZ-BBATYDOGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ccncc1)C1CC1 ZINC001575006846 950725510 /nfs/dbraw/zinc/72/55/10/950725510.db2.gz XCROCETWOOZMKA-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ccncc1)C1CC1 ZINC001575006846 950725521 /nfs/dbraw/zinc/72/55/21/950725521.db2.gz XCROCETWOOZMKA-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM CC(C)(C)c1cc(CNC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001573879561 950727496 /nfs/dbraw/zinc/72/74/96/950727496.db2.gz FJFYKOBSYDFVSJ-LBPRGKRZSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cc(CNC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001573879561 950727506 /nfs/dbraw/zinc/72/75/06/950727506.db2.gz FJFYKOBSYDFVSJ-LBPRGKRZSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001573879547 950727767 /nfs/dbraw/zinc/72/77/67/950727767.db2.gz FBNAPHVATFYQJM-OXHZDVMGSA-N -1 3 389.435 0.749 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001573879547 950727784 /nfs/dbraw/zinc/72/77/84/950727784.db2.gz FBNAPHVATFYQJM-OXHZDVMGSA-N -1 3 389.435 0.749 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575007039 950730677 /nfs/dbraw/zinc/73/06/77/950730677.db2.gz ZWONPMSUGLXBAR-SECBINFHSA-N -1 3 387.379 0.468 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575007039 950730685 /nfs/dbraw/zinc/73/06/85/950730685.db2.gz ZWONPMSUGLXBAR-SECBINFHSA-N -1 3 387.379 0.468 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ccns1)C1CC1 ZINC001575007035 950731200 /nfs/dbraw/zinc/73/12/00/950731200.db2.gz ZVSUZSVLWAAWFX-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ccns1)C1CC1 ZINC001575007035 950731219 /nfs/dbraw/zinc/73/12/19/950731219.db2.gz ZVSUZSVLWAAWFX-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575007847 950735333 /nfs/dbraw/zinc/73/53/33/950735333.db2.gz ADMRENIOZAGNKD-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001575007847 950735343 /nfs/dbraw/zinc/73/53/43/950735343.db2.gz ADMRENIOZAGNKD-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574181047 950741547 /nfs/dbraw/zinc/74/15/47/950741547.db2.gz JGLGJSDLYAYMAJ-LLVKDONJSA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574181047 950741558 /nfs/dbraw/zinc/74/15/58/950741558.db2.gz JGLGJSDLYAYMAJ-LLVKDONJSA-N -1 3 392.439 0.870 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576216664 950742641 /nfs/dbraw/zinc/74/26/41/950742641.db2.gz FEAVUHHXNATUCO-LDYMZIIASA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576216664 950742655 /nfs/dbraw/zinc/74/26/55/950742655.db2.gz FEAVUHHXNATUCO-LDYMZIIASA-N -1 3 379.371 0.817 20 0 GCADHM CC1(C)CC(C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575629571 950744466 /nfs/dbraw/zinc/74/44/66/950744466.db2.gz PNMZBTPNGXSYCR-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575629571 950744487 /nfs/dbraw/zinc/74/44/87/950744487.db2.gz PNMZBTPNGXSYCR-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)C1 ZINC001575629612 950744952 /nfs/dbraw/zinc/74/49/52/950744952.db2.gz QYZJLKKSGBJWRZ-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)C1 ZINC001575629612 950744970 /nfs/dbraw/zinc/74/49/70/950744970.db2.gz QYZJLKKSGBJWRZ-TZMCWYRMSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)no1 ZINC001573880411 950746957 /nfs/dbraw/zinc/74/69/57/950746957.db2.gz ZTZRMBZGWVETQU-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)no1 ZINC001573880411 950746968 /nfs/dbraw/zinc/74/69/68/950746968.db2.gz ZTZRMBZGWVETQU-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2cccnn21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574764396 950748189 /nfs/dbraw/zinc/74/81/89/950748189.db2.gz RXOKETYRAKKWMV-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2cccnn21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574764396 950748200 /nfs/dbraw/zinc/74/82/00/950748200.db2.gz RXOKETYRAKKWMV-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574764276 950748427 /nfs/dbraw/zinc/74/84/27/950748427.db2.gz RUBIYXXNDGNJPK-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574764276 950748441 /nfs/dbraw/zinc/74/84/41/950748441.db2.gz RUBIYXXNDGNJPK-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575008790 950757237 /nfs/dbraw/zinc/75/72/37/950757237.db2.gz IHEITEAVXIWAMZ-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001575008790 950757251 /nfs/dbraw/zinc/75/72/51/950757251.db2.gz IHEITEAVXIWAMZ-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@@H]1CCCOC1 ZINC001575008825 950757958 /nfs/dbraw/zinc/75/79/58/950757958.db2.gz ITZQWIOCDVEODC-OLZOCXBDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@@H]1CCCOC1 ZINC001575008825 950757973 /nfs/dbraw/zinc/75/79/73/950757973.db2.gz ITZQWIOCDVEODC-OLZOCXBDSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574182108 950759109 /nfs/dbraw/zinc/75/91/09/950759109.db2.gz URDUNNPBVXUVBV-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574182108 950759124 /nfs/dbraw/zinc/75/91/24/950759124.db2.gz URDUNNPBVXUVBV-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001575008884 950759940 /nfs/dbraw/zinc/75/99/40/950759940.db2.gz JPBITHREJZXZEI-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H](C)n1ccnc1 ZINC001575008884 950759954 /nfs/dbraw/zinc/75/99/54/950759954.db2.gz JPBITHREJZXZEI-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cncnc1 ZINC001574520996 950760534 /nfs/dbraw/zinc/76/05/34/950760534.db2.gz CDNATZCIEKJFSY-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cncnc1 ZINC001574520996 950760552 /nfs/dbraw/zinc/76/05/52/950760552.db2.gz CDNATZCIEKJFSY-GHMZBOCLSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574764948 950763901 /nfs/dbraw/zinc/76/39/01/950763901.db2.gz ALULKXFOFVSIMA-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574764948 950763915 /nfs/dbraw/zinc/76/39/15/950763915.db2.gz ALULKXFOFVSIMA-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575927914 950764973 /nfs/dbraw/zinc/76/49/73/950764973.db2.gz VZXVNTIZTKJIIP-KOLCDFICSA-N -1 3 380.416 0.972 20 0 GCADHM CC(C)CCC(=O)N[C@H]1COC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001574182801 950765918 /nfs/dbraw/zinc/76/59/18/950765918.db2.gz ZITWKHCDSSNYKE-CYBMUJFWSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CCC(=O)N[C@H]1COC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001574182801 950765932 /nfs/dbraw/zinc/76/59/32/950765932.db2.gz ZITWKHCDSSNYKE-CYBMUJFWSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)CCN3C(=O)CCC3=O)c(-c3nnn[n-]3)cc2C1 ZINC001576217708 950770177 /nfs/dbraw/zinc/77/01/77/950770177.db2.gz NWBWQRGMXVGKKF-SNVBAGLBSA-N -1 3 383.412 0.864 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)CCN3C(=O)CCC3=O)c(-c3nn[n-]n3)cc2C1 ZINC001576217708 950770192 /nfs/dbraw/zinc/77/01/92/950770192.db2.gz NWBWQRGMXVGKKF-SNVBAGLBSA-N -1 3 383.412 0.864 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cnc2n1CCC2 ZINC001575009121 950772840 /nfs/dbraw/zinc/77/28/40/950772840.db2.gz NWZLTDNCZUJRRQ-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cnc2n1CCC2 ZINC001575009121 950772856 /nfs/dbraw/zinc/77/28/56/950772856.db2.gz NWZLTDNCZUJRRQ-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnoc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574765062 950773520 /nfs/dbraw/zinc/77/35/20/950773520.db2.gz CTWWDMBGXOMXSH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnoc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765062 950773531 /nfs/dbraw/zinc/77/35/31/950773531.db2.gz CTWWDMBGXOMXSH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1nccn1C ZINC001575009116 950773478 /nfs/dbraw/zinc/77/34/78/950773478.db2.gz NWVLVNVYFVXAQK-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1nccn1C ZINC001575009116 950773492 /nfs/dbraw/zinc/77/34/92/950773492.db2.gz NWVLVNVYFVXAQK-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCOCC1 ZINC001575009104 950773894 /nfs/dbraw/zinc/77/38/94/950773894.db2.gz NSAPCZNCHLUVTC-NWDGAFQWSA-N -1 3 389.460 0.740 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCOCC1 ZINC001575009104 950773913 /nfs/dbraw/zinc/77/39/13/950773913.db2.gz NSAPCZNCHLUVTC-NWDGAFQWSA-N -1 3 389.460 0.740 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cncnc1 ZINC001575009132 950775606 /nfs/dbraw/zinc/77/56/06/950775606.db2.gz OFCHWYWFQCCWNC-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cncnc1 ZINC001575009132 950775620 /nfs/dbraw/zinc/77/56/20/950775620.db2.gz OFCHWYWFQCCWNC-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574521313 950776225 /nfs/dbraw/zinc/77/62/25/950776225.db2.gz FKDHOPXZXAUEQO-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574521313 950776248 /nfs/dbraw/zinc/77/62/48/950776248.db2.gz FKDHOPXZXAUEQO-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573883996 950777495 /nfs/dbraw/zinc/77/74/95/950777495.db2.gz BKJWERQLBCGWRD-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573883996 950777505 /nfs/dbraw/zinc/77/75/05/950777505.db2.gz BKJWERQLBCGWRD-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cc(Cl)cn1C ZINC001575009197 950780116 /nfs/dbraw/zinc/78/01/16/950780116.db2.gz PRJJLMBXLGMCGR-SECBINFHSA-N -1 3 390.835 0.983 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cc(Cl)cn1C ZINC001575009197 950780124 /nfs/dbraw/zinc/78/01/24/950780124.db2.gz PRJJLMBXLGMCGR-SECBINFHSA-N -1 3 390.835 0.983 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573884054 950782305 /nfs/dbraw/zinc/78/23/05/950782305.db2.gz FIDWGBQIYBBPBM-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573884054 950782325 /nfs/dbraw/zinc/78/23/25/950782325.db2.gz FIDWGBQIYBBPBM-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1csc(NC(=O)c2cn(CC(N)=O)nn2)c1-c1nnn[n-]1 ZINC001573884177 950784939 /nfs/dbraw/zinc/78/49/39/950784939.db2.gz LBOQHDMDDXTSEF-UHFFFAOYSA-N -1 3 375.418 0.555 20 0 GCADHM CC(C)(C)c1csc(NC(=O)c2cn(CC(N)=O)nn2)c1-c1nn[n-]n1 ZINC001573884177 950784956 /nfs/dbraw/zinc/78/49/56/950784956.db2.gz LBOQHDMDDXTSEF-UHFFFAOYSA-N -1 3 375.418 0.555 20 0 GCADHM CC1(C)CC(C(=O)NCCN2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001575632052 950785222 /nfs/dbraw/zinc/78/52/22/950785222.db2.gz YMUCWVMDKMIXDZ-UHFFFAOYSA-N -1 3 384.488 0.936 20 0 GCADHM CC1(C)CC(C(=O)NCCN2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001575632052 950785245 /nfs/dbraw/zinc/78/52/45/950785245.db2.gz YMUCWVMDKMIXDZ-UHFFFAOYSA-N -1 3 384.488 0.936 20 0 GCADHM CC1(C)CC(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575631808 950785636 /nfs/dbraw/zinc/78/56/36/950785636.db2.gz VHPJHYPTXGTYSM-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC1(C)CC(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575631808 950785659 /nfs/dbraw/zinc/78/56/59/950785659.db2.gz VHPJHYPTXGTYSM-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)CN(C)S(C)(=O)=O)c(-c3nnn[n-]3)cc2C1 ZINC001576218376 950785929 /nfs/dbraw/zinc/78/59/29/950785929.db2.gz RGSCEULLDDSJDV-VIFPVBQESA-N -1 3 379.446 0.216 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)CN(C)S(C)(=O)=O)c(-c3nn[n-]n3)cc2C1 ZINC001576218376 950785945 /nfs/dbraw/zinc/78/59/45/950785945.db2.gz RGSCEULLDDSJDV-VIFPVBQESA-N -1 3 379.446 0.216 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCC[C@@H]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765377 950786981 /nfs/dbraw/zinc/78/69/81/950786981.db2.gz CIAICQQPUUFZNZ-OLZOCXBDSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCC[C@@H]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765377 950786997 /nfs/dbraw/zinc/78/69/97/950786997.db2.gz CIAICQQPUUFZNZ-OLZOCXBDSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CN1CCCC1=O ZINC001575929886 950787254 /nfs/dbraw/zinc/78/72/54/950787254.db2.gz CVBBPHFGFODFPW-MFKMUULPSA-N -1 3 388.407 0.425 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CN1CCCC1=O ZINC001575929886 950787276 /nfs/dbraw/zinc/78/72/76/950787276.db2.gz CVBBPHFGFODFPW-MFKMUULPSA-N -1 3 388.407 0.425 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CN1CCCC1=O ZINC001575929891 950787853 /nfs/dbraw/zinc/78/78/53/950787853.db2.gz CVBBPHFGFODFPW-ZWNOBZJWSA-N -1 3 388.407 0.425 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CN1CCCC1=O ZINC001575929891 950787866 /nfs/dbraw/zinc/78/78/66/950787866.db2.gz CVBBPHFGFODFPW-ZWNOBZJWSA-N -1 3 388.407 0.425 20 0 GCADHM CC1(C)CC(C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001575632061 950788004 /nfs/dbraw/zinc/78/80/04/950788004.db2.gz YQEYIXVFWUUCNR-UHFFFAOYSA-N -1 3 384.488 0.936 20 0 GCADHM CC1(C)CC(C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001575632061 950788019 /nfs/dbraw/zinc/78/80/19/950788019.db2.gz YQEYIXVFWUUCNR-UHFFFAOYSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)CCCC(N)=O ZINC001575930169 950791702 /nfs/dbraw/zinc/79/17/02/950791702.db2.gz DTMBFYDLOBVMIR-BXKDBHETSA-N -1 3 392.851 0.972 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)CCCC(N)=O ZINC001575930169 950791719 /nfs/dbraw/zinc/79/17/19/950791719.db2.gz DTMBFYDLOBVMIR-BXKDBHETSA-N -1 3 392.851 0.972 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@]1(C)CCCOC1 ZINC001575009645 950793157 /nfs/dbraw/zinc/79/31/57/950793157.db2.gz WBNPKRGABABXOW-PIGZYNQJSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@]1(C)CCCOC1 ZINC001575009645 950793163 /nfs/dbraw/zinc/79/31/63/950793163.db2.gz WBNPKRGABABXOW-PIGZYNQJSA-N -1 3 375.433 0.494 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001573884515 950795662 /nfs/dbraw/zinc/79/56/62/950795662.db2.gz DLULDAKLEXBXPK-AOOOYVTPSA-N -1 3 385.432 0.926 20 0 GCADHM CC(C)(C)c1nc(CN[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001573884515 950795680 /nfs/dbraw/zinc/79/56/80/950795680.db2.gz DLULDAKLEXBXPK-AOOOYVTPSA-N -1 3 385.432 0.926 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575930585 950797409 /nfs/dbraw/zinc/79/74/09/950797409.db2.gz FLCYQRRWOGPNSI-UFBFGSQYSA-N -1 3 385.363 0.612 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001575930585 950797436 /nfs/dbraw/zinc/79/74/36/950797436.db2.gz FLCYQRRWOGPNSI-UFBFGSQYSA-N -1 3 385.363 0.612 20 0 GCADHM CC(C)N(C(=O)CN(C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001574765928 950799683 /nfs/dbraw/zinc/79/96/83/950799683.db2.gz GHVOVIRNNFDSSB-CYBMUJFWSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)N(C(=O)CN(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001574765928 950799691 /nfs/dbraw/zinc/79/96/91/950799691.db2.gz GHVOVIRNNFDSSB-CYBMUJFWSA-N -1 3 390.492 0.890 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575632459 950800902 /nfs/dbraw/zinc/80/09/02/950800902.db2.gz IGOPAGRSCUNOOV-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575632459 950800930 /nfs/dbraw/zinc/80/09/30/950800930.db2.gz IGOPAGRSCUNOOV-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574765940 950802269 /nfs/dbraw/zinc/80/22/69/950802269.db2.gz GRPWTXQOEQNIIZ-JTQLQIEISA-N -1 3 384.400 0.895 20 0 GCADHM C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574765940 950802292 /nfs/dbraw/zinc/80/22/92/950802292.db2.gz GRPWTXQOEQNIIZ-JTQLQIEISA-N -1 3 384.400 0.895 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1nnn(C)n1 ZINC001575930705 950803268 /nfs/dbraw/zinc/80/32/68/950803268.db2.gz GMIKWKAYTXCUSD-OIBJUYFYSA-N -1 3 389.811 0.154 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1nnn(C)n1 ZINC001575930705 950803289 /nfs/dbraw/zinc/80/32/89/950803289.db2.gz GMIKWKAYTXCUSD-OIBJUYFYSA-N -1 3 389.811 0.154 20 0 GCADHM C[C@@H](CN(C)CC(=O)NCc1ccco1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765916 950803328 /nfs/dbraw/zinc/80/33/28/950803328.db2.gz GDPOUWZQRSXMJH-NSHDSACASA-N -1 3 386.416 0.154 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cn[nH]c1 ZINC001574522943 950804828 /nfs/dbraw/zinc/80/48/28/950804828.db2.gz LYGFWLJOXSGZPJ-QWRGUYRKSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cn[nH]c1 ZINC001574522943 950804848 /nfs/dbraw/zinc/80/48/48/950804848.db2.gz LYGFWLJOXSGZPJ-QWRGUYRKSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1noc2c1COCC2 ZINC001575010090 950805621 /nfs/dbraw/zinc/80/56/21/950805621.db2.gz ABZDSALFKFATTI-JTQLQIEISA-N -1 3 386.416 0.506 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1noc2c1COCC2 ZINC001575010090 950805644 /nfs/dbraw/zinc/80/56/44/950805644.db2.gz ABZDSALFKFATTI-JTQLQIEISA-N -1 3 386.416 0.506 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001575010104 950805936 /nfs/dbraw/zinc/80/59/36/950805936.db2.gz AIBNOQKBJFAVMN-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001575010104 950805954 /nfs/dbraw/zinc/80/59/54/950805954.db2.gz AIBNOQKBJFAVMN-RYUDHWBXSA-N -1 3 383.412 0.897 20 0 GCADHM CC(C)(C)c1cnc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001573884763 950808037 /nfs/dbraw/zinc/80/80/37/950808037.db2.gz PEVIICZTLPHMEO-SNVBAGLBSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cnc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001573884763 950808056 /nfs/dbraw/zinc/80/80/56/950808056.db2.gz PEVIICZTLPHMEO-SNVBAGLBSA-N -1 3 388.432 0.361 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1ncnn1CCF ZINC001575010181 950812804 /nfs/dbraw/zinc/81/28/04/950812804.db2.gz BZQXSJUXDRWQOR-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1ncnn1CCF ZINC001575010181 950812825 /nfs/dbraw/zinc/81/28/25/950812825.db2.gz BZQXSJUXDRWQOR-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573885564 950831104 /nfs/dbraw/zinc/83/11/04/950831104.db2.gz UCZYAGCFGYEIMB-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573885564 950831124 /nfs/dbraw/zinc/83/11/24/950831124.db2.gz UCZYAGCFGYEIMB-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM C[C@H]1CCc2nc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)nc3)cn2C1 ZINC001576220271 950831239 /nfs/dbraw/zinc/83/12/39/950831239.db2.gz WTZGRTHUWSKOSY-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@H]1CCc2nc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)nc3)cn2C1 ZINC001576220271 950831262 /nfs/dbraw/zinc/83/12/62/950831262.db2.gz WTZGRTHUWSKOSY-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574766868 950832924 /nfs/dbraw/zinc/83/29/24/950832924.db2.gz NNYZKGPCHBUNFB-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574766868 950832950 /nfs/dbraw/zinc/83/29/50/950832950.db2.gz NNYZKGPCHBUNFB-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nc(C(F)F)no1 ZINC001575010861 950836489 /nfs/dbraw/zinc/83/64/89/950836489.db2.gz KGIDQXUFJBRZEA-SSDOTTSWSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nc(C(F)F)no1 ZINC001575010861 950836501 /nfs/dbraw/zinc/83/65/01/950836501.db2.gz KGIDQXUFJBRZEA-SSDOTTSWSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)CC(=O)Nc1nccs1 ZINC001575010997 950837867 /nfs/dbraw/zinc/83/78/67/950837867.db2.gz LBEVXCBYWKBOCJ-SECBINFHSA-N -1 3 389.445 0.340 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)Nc1nccs1 ZINC001575010997 950837893 /nfs/dbraw/zinc/83/78/93/950837893.db2.gz LBEVXCBYWKBOCJ-SECBINFHSA-N -1 3 389.445 0.340 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1ncoc1C1CC1 ZINC001575010988 950839658 /nfs/dbraw/zinc/83/96/58/950839658.db2.gz KRXMQQYBYICTCH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1ncoc1C1CC1 ZINC001575010988 950839682 /nfs/dbraw/zinc/83/96/82/950839682.db2.gz KRXMQQYBYICTCH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)CC(=O)NCCC(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767172 950841153 /nfs/dbraw/zinc/84/11/53/950841153.db2.gz MSSXHIFPTOKOFY-GFCCVEGCSA-N -1 3 390.492 0.797 20 0 GCADHM CC(C)(C)c1nnc(CN2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001573885904 950841120 /nfs/dbraw/zinc/84/11/20/950841120.db2.gz WXVDRVORPGVWGV-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM CC(C)(C)c1nnc(CN2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001573885904 950841145 /nfs/dbraw/zinc/84/11/45/950841145.db2.gz WXVDRVORPGVWGV-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573887501 950842246 /nfs/dbraw/zinc/84/22/46/950842246.db2.gz FHMDVCXUCOTHQI-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573887501 950842265 /nfs/dbraw/zinc/84/22/65/950842265.db2.gz FHMDVCXUCOTHQI-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574767193 950843798 /nfs/dbraw/zinc/84/37/98/950843798.db2.gz NALPDTXYSIOPHI-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ocnc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767193 950843823 /nfs/dbraw/zinc/84/38/23/950843823.db2.gz NALPDTXYSIOPHI-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC1(C)C[C@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC001575638674 950844815 /nfs/dbraw/zinc/84/48/15/950844815.db2.gz IFQOBLLCVMNWOM-CHWSQXEVSA-N -1 3 379.442 0.372 20 0 GCADHM CC1(C)C[C@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC001575638674 950844834 /nfs/dbraw/zinc/84/48/34/950844834.db2.gz IFQOBLLCVMNWOM-CHWSQXEVSA-N -1 3 379.442 0.372 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ncc[nH]1 ZINC001574524117 950845693 /nfs/dbraw/zinc/84/56/93/950845693.db2.gz TYGOQXIJNXNRHV-MNOVXSKESA-N -1 3 385.432 0.564 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ncc[nH]1 ZINC001574524117 950845712 /nfs/dbraw/zinc/84/57/12/950845712.db2.gz TYGOQXIJNXNRHV-MNOVXSKESA-N -1 3 385.432 0.564 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001574188589 950848137 /nfs/dbraw/zinc/84/81/37/950848137.db2.gz WMPHVIDUXJUXKS-UKRRQHHQSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001574188589 950848160 /nfs/dbraw/zinc/84/81/60/950848160.db2.gz WMPHVIDUXJUXKS-UKRRQHHQSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575011256 950849006 /nfs/dbraw/zinc/84/90/06/950849006.db2.gz OCOARRFXKBMNHL-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575011256 950849028 /nfs/dbraw/zinc/84/90/28/950849028.db2.gz OCOARRFXKBMNHL-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573887714 950854972 /nfs/dbraw/zinc/85/49/72/950854972.db2.gz JTWNBMGKWQCUOP-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573887714 950855005 /nfs/dbraw/zinc/85/50/05/950855005.db2.gz JTWNBMGKWQCUOP-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCn1cncn1 ZINC001575934456 950855123 /nfs/dbraw/zinc/85/51/23/950855123.db2.gz RMLNZLZGGIIMJK-GWCFXTLKSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCn1cncn1 ZINC001575934456 950855144 /nfs/dbraw/zinc/85/51/44/950855144.db2.gz RMLNZLZGGIIMJK-GWCFXTLKSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001575934382 950855473 /nfs/dbraw/zinc/85/54/73/950855473.db2.gz RBHKIRBDOSAHCJ-KCJUWKMLSA-N -1 3 387.379 0.555 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573887966 950857070 /nfs/dbraw/zinc/85/70/70/950857070.db2.gz MBXCCTLDEFBCMX-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573887966 950857110 /nfs/dbraw/zinc/85/71/10/950857110.db2.gz MBXCCTLDEFBCMX-LLVKDONJSA-N -1 3 386.416 0.750 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1ocnc1C1CC1 ZINC001575011687 950858438 /nfs/dbraw/zinc/85/84/38/950858438.db2.gz RBLFBPORZRCYQS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1ocnc1C1CC1 ZINC001575011687 950858461 /nfs/dbraw/zinc/85/84/61/950858461.db2.gz RBLFBPORZRCYQS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCn1cncn1 ZINC001575934459 950858980 /nfs/dbraw/zinc/85/89/80/950858980.db2.gz RMLNZLZGGIIMJK-ZWNOBZJWSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCn1cncn1 ZINC001575934459 950859000 /nfs/dbraw/zinc/85/90/00/950859000.db2.gz RMLNZLZGGIIMJK-ZWNOBZJWSA-N -1 3 386.395 0.484 20 0 GCADHM CC(C)(C)c1nsc(N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001573888132 950859195 /nfs/dbraw/zinc/85/91/95/950859195.db2.gz OKCAXJYJGHZEOK-MRVPVSSYSA-N -1 3 391.461 0.547 20 0 GCADHM CC(C)(C)c1nsc(N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001573888132 950859223 /nfs/dbraw/zinc/85/92/23/950859223.db2.gz OKCAXJYJGHZEOK-MRVPVSSYSA-N -1 3 391.461 0.547 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574767767 950867778 /nfs/dbraw/zinc/86/77/78/950867778.db2.gz QGULANXKFVECEK-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767767 950867790 /nfs/dbraw/zinc/86/77/90/950867790.db2.gz QGULANXKFVECEK-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575011871 950868011 /nfs/dbraw/zinc/86/80/11/950868011.db2.gz SVRASPQYEHPUAH-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575011871 950868027 /nfs/dbraw/zinc/86/80/27/950868027.db2.gz SVRASPQYEHPUAH-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001573893331 950873497 /nfs/dbraw/zinc/87/34/97/950873497.db2.gz AHDVSURUIZNURU-LLVKDONJSA-N -1 3 383.420 0.330 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001573893331 950873514 /nfs/dbraw/zinc/87/35/14/950873514.db2.gz AHDVSURUIZNURU-LLVKDONJSA-N -1 3 383.420 0.330 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575935414 950875390 /nfs/dbraw/zinc/87/53/90/950875390.db2.gz WCYBEUXFFVEKGX-JSGCOSHPSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575935414 950875405 /nfs/dbraw/zinc/87/54/05/950875405.db2.gz WCYBEUXFFVEKGX-JSGCOSHPSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575012155 950876344 /nfs/dbraw/zinc/87/63/44/950876344.db2.gz XJFKJKQQFHYQKJ-JUFZMCDQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575012155 950876361 /nfs/dbraw/zinc/87/63/61/950876361.db2.gz XJFKJKQQFHYQKJ-JUFZMCDQSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)(C)n1ncnc1CNS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573893351 950879611 /nfs/dbraw/zinc/87/96/11/950879611.db2.gz AZKQFNMNLARJBS-UHFFFAOYSA-N -1 3 380.409 0.831 20 0 GCADHM CC(C)(C)n1ncnc1CNS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573893351 950879629 /nfs/dbraw/zinc/87/96/29/950879629.db2.gz AZKQFNMNLARJBS-UHFFFAOYSA-N -1 3 380.409 0.831 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCCC[C@@H]1C ZINC001575012329 950885776 /nfs/dbraw/zinc/88/57/76/950885776.db2.gz YSJQLCFCUPQIIG-STQMWFEESA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOCC1 ZINC001575935700 950886306 /nfs/dbraw/zinc/88/63/06/950886306.db2.gz AGIUJFZMGPKADK-ZFWWWQNUSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935700 950886320 /nfs/dbraw/zinc/88/63/20/950886320.db2.gz AGIUJFZMGPKADK-ZFWWWQNUSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574527439 950886545 /nfs/dbraw/zinc/88/65/45/950886545.db2.gz BQURTUNNDAECHL-ZJUUUORDSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574527439 950886561 /nfs/dbraw/zinc/88/65/61/950886561.db2.gz BQURTUNNDAECHL-ZJUUUORDSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NCCC(C)(C)C ZINC001575012390 950888101 /nfs/dbraw/zinc/88/81/01/950888101.db2.gz ZKDILXSGLYOADX-GFCCVEGCSA-N -1 3 390.492 0.797 20 0 GCADHM CC(C)(C)n1ncnc1CNS(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001573893556 950888150 /nfs/dbraw/zinc/88/81/50/950888150.db2.gz KZAZYQPPZIPWFJ-UHFFFAOYSA-N -1 3 382.475 0.894 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NCCC(C)(C)C ZINC001575012392 950890523 /nfs/dbraw/zinc/89/05/23/950890523.db2.gz ZKDILXSGLYOADX-LBPRGKRZSA-N -1 3 390.492 0.797 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575935754 950893436 /nfs/dbraw/zinc/89/34/36/950893436.db2.gz BECGRRSCACNNPA-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575935754 950893448 /nfs/dbraw/zinc/89/34/48/950893448.db2.gz BECGRRSCACNNPA-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H](CN(C)CC(=O)Nc1ccccc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574768669 950894182 /nfs/dbraw/zinc/89/41/82/950894182.db2.gz VBGVOCGQUNJNIS-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](CN(C)CC(=O)Nc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768669 950894200 /nfs/dbraw/zinc/89/42/00/950894200.db2.gz VBGVOCGQUNJNIS-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc2c(c1)COC2 ZINC001575013648 950895910 /nfs/dbraw/zinc/89/59/10/950895910.db2.gz BPILWMNHCYOWTM-SNVBAGLBSA-N -1 3 381.396 0.773 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc2c(c1)COC2 ZINC001575013648 950895916 /nfs/dbraw/zinc/89/59/16/950895916.db2.gz BPILWMNHCYOWTM-SNVBAGLBSA-N -1 3 381.396 0.773 20 0 GCADHM CC(C)(CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573893632 950895947 /nfs/dbraw/zinc/89/59/47/950895947.db2.gz ODWWUDRXRIHUFS-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573893632 950895962 /nfs/dbraw/zinc/89/59/62/950895962.db2.gz ODWWUDRXRIHUFS-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001574189833 950899310 /nfs/dbraw/zinc/89/93/10/950899310.db2.gz RSPCJILUBPEDGA-ZFWWWQNUSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001574189833 950899328 /nfs/dbraw/zinc/89/93/28/950899328.db2.gz RSPCJILUBPEDGA-ZFWWWQNUSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001574189830 950899869 /nfs/dbraw/zinc/89/98/69/950899869.db2.gz RSPCJILUBPEDGA-DZGCQCFKSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001574189830 950899884 /nfs/dbraw/zinc/89/98/84/950899884.db2.gz RSPCJILUBPEDGA-DZGCQCFKSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001575014085 950900993 /nfs/dbraw/zinc/90/09/93/950900993.db2.gz CWHLHCZCAMYBMB-VHSXEESVSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574527794 950904108 /nfs/dbraw/zinc/90/41/08/950904108.db2.gz HFARHJDAULJDEV-SFYZADRCSA-N -1 3 375.368 0.384 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574527794 950904126 /nfs/dbraw/zinc/90/41/26/950904126.db2.gz HFARHJDAULJDEV-SFYZADRCSA-N -1 3 375.368 0.384 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1n[nH]cc1F ZINC001574527793 950905514 /nfs/dbraw/zinc/90/55/14/950905514.db2.gz HFARHJDAULJDEV-JGVFFNPUSA-N -1 3 375.368 0.384 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1n[nH]cc1F ZINC001574527793 950905529 /nfs/dbraw/zinc/90/55/29/950905529.db2.gz HFARHJDAULJDEV-JGVFFNPUSA-N -1 3 375.368 0.384 20 0 GCADHM CC(C)c1cc(C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1C ZINC001575014558 950907594 /nfs/dbraw/zinc/90/75/94/950907594.db2.gz HDVAWRJINVGEHO-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1cc(C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1C ZINC001575014558 950907609 /nfs/dbraw/zinc/90/76/09/950907609.db2.gz HDVAWRJINVGEHO-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccccc1N(C)C ZINC001575014655 950909826 /nfs/dbraw/zinc/90/98/26/950909826.db2.gz HQVFQUBBXJHNMT-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccccc1N(C)C ZINC001575014655 950909835 /nfs/dbraw/zinc/90/98/35/950909835.db2.gz HQVFQUBBXJHNMT-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM CC(C)[C@H](C)NC(=O)CN(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574769060 950909676 /nfs/dbraw/zinc/90/96/76/950909676.db2.gz ZDPXTIAKNKOLKX-NEPJUHHUSA-N -1 3 376.465 0.406 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575014691 950910767 /nfs/dbraw/zinc/91/07/67/950910767.db2.gz HZNZZNDAXCWSQP-TVQRCGJNSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575014691 950910787 /nfs/dbraw/zinc/91/07/87/950910787.db2.gz HZNZZNDAXCWSQP-TVQRCGJNSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCOc1ccccc1 ZINC001575014543 950911022 /nfs/dbraw/zinc/91/10/22/950911022.db2.gz GZEHDJSZGQTZGM-LBPRGKRZSA-N -1 3 383.412 0.898 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCOc1ccccc1 ZINC001575014543 950911042 /nfs/dbraw/zinc/91/10/42/950911042.db2.gz GZEHDJSZGQTZGM-LBPRGKRZSA-N -1 3 383.412 0.898 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001575014937 950913788 /nfs/dbraw/zinc/91/37/88/950913788.db2.gz JUOLDBTXGKCMNO-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001575014937 950913806 /nfs/dbraw/zinc/91/38/06/950913806.db2.gz JUOLDBTXGKCMNO-SNVBAGLBSA-N -1 3 382.428 0.950 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(=O)[nH]c1=O ZINC001573894117 950922596 /nfs/dbraw/zinc/92/25/96/950922596.db2.gz MPAYIRCSQJNLNM-UHFFFAOYSA-N -1 3 387.375 0.953 20 0 GCADHM CC(C)(C)n1cc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(=O)[nH]c1=O ZINC001573894117 950922608 /nfs/dbraw/zinc/92/26/08/950922608.db2.gz MPAYIRCSQJNLNM-UHFFFAOYSA-N -1 3 387.375 0.953 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001575015182 950924824 /nfs/dbraw/zinc/92/48/24/950924824.db2.gz NJTACZYBJNHREF-RYUDHWBXSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001575015182 950924843 /nfs/dbraw/zinc/92/48/43/950924843.db2.gz NJTACZYBJNHREF-RYUDHWBXSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCC1CCCC1 ZINC001575015220 950926570 /nfs/dbraw/zinc/92/65/70/950926570.db2.gz OJLNYKGUKQANRL-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCC1CCCC1 ZINC001575015220 950926586 /nfs/dbraw/zinc/92/65/86/950926586.db2.gz OJLNYKGUKQANRL-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001573894500 950927916 /nfs/dbraw/zinc/92/79/16/950927916.db2.gz SVBFFICFXJZVFK-LLVKDONJSA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001573894500 950927938 /nfs/dbraw/zinc/92/79/38/950927938.db2.gz SVBFFICFXJZVFK-LLVKDONJSA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cc(CN[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001573894461 950928333 /nfs/dbraw/zinc/92/83/33/950928333.db2.gz SDTVLWAWBXGLBV-NSHDSACASA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)cn1 ZINC001573894183 950928785 /nfs/dbraw/zinc/92/87/85/950928785.db2.gz QGRDBJVOUQCNRO-GFCCVEGCSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)cn1 ZINC001573894183 950928810 /nfs/dbraw/zinc/92/88/10/950928810.db2.gz QGRDBJVOUQCNRO-GFCCVEGCSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001573894400 950929372 /nfs/dbraw/zinc/92/93/72/950929372.db2.gz RKWSVDCUHFUGDW-LBPRGKRZSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001573894400 950929382 /nfs/dbraw/zinc/92/93/82/950929382.db2.gz RKWSVDCUHFUGDW-LBPRGKRZSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001573894449 950929557 /nfs/dbraw/zinc/92/95/57/950929557.db2.gz RXMXUUQYCLRKDG-UHFFFAOYSA-N -1 3 381.444 0.827 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001573894449 950929570 /nfs/dbraw/zinc/92/95/70/950929570.db2.gz RXMXUUQYCLRKDG-UHFFFAOYSA-N -1 3 381.444 0.827 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ccc(F)cc1F ZINC001575015230 950931120 /nfs/dbraw/zinc/93/11/20/950931120.db2.gz OLWXVUFVDDIYLA-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ccc(F)cc1F ZINC001575015230 950931134 /nfs/dbraw/zinc/93/11/34/950931134.db2.gz OLWXVUFVDDIYLA-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CO1 ZINC001575936909 950931560 /nfs/dbraw/zinc/93/15/60/950931560.db2.gz AQQHZOKTYSZXET-DGCLKSJQSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CO1 ZINC001575936909 950931579 /nfs/dbraw/zinc/93/15/79/950931579.db2.gz AQQHZOKTYSZXET-DGCLKSJQSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575015443 950933720 /nfs/dbraw/zinc/93/37/20/950933720.db2.gz QQZSHQWFXHEKQE-WCFLWFBJSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575015443 950933736 /nfs/dbraw/zinc/93/37/36/950933736.db2.gz QQZSHQWFXHEKQE-WCFLWFBJSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574528556 950934881 /nfs/dbraw/zinc/93/48/81/950934881.db2.gz NDHIKQZQSYHULA-HTQZYQBOSA-N -1 3 390.429 0.684 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574528556 950934889 /nfs/dbraw/zinc/93/48/89/950934889.db2.gz NDHIKQZQSYHULA-HTQZYQBOSA-N -1 3 390.429 0.684 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001573894716 950936998 /nfs/dbraw/zinc/93/69/98/950936998.db2.gz ZAVUNBPXYPGPOJ-CYBMUJFWSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001573894716 950937011 /nfs/dbraw/zinc/93/70/11/950937011.db2.gz ZAVUNBPXYPGPOJ-CYBMUJFWSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001573894704 950938001 /nfs/dbraw/zinc/93/80/01/950938001.db2.gz YSGOVCFKNWPKKY-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001573894704 950938017 /nfs/dbraw/zinc/93/80/17/950938017.db2.gz YSGOVCFKNWPKKY-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575937160 950938036 /nfs/dbraw/zinc/93/80/36/950938036.db2.gz JJWQGOYWKFVZLK-ONGXEEELSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575937160 950938055 /nfs/dbraw/zinc/93/80/55/950938055.db2.gz JJWQGOYWKFVZLK-ONGXEEELSA-N -1 3 381.400 0.404 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001575642538 950945249 /nfs/dbraw/zinc/94/52/49/950945249.db2.gz IDOCFBGXSURVOC-NEPJUHHUSA-N -1 3 385.428 0.341 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001575642538 950945271 /nfs/dbraw/zinc/94/52/71/950945271.db2.gz IDOCFBGXSURVOC-NEPJUHHUSA-N -1 3 385.428 0.341 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001574193929 950946189 /nfs/dbraw/zinc/94/61/89/950946189.db2.gz UOCOKKRAEGPNEO-KGLIPLIRSA-N -1 3 377.424 0.893 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001574193929 950946206 /nfs/dbraw/zinc/94/62/06/950946206.db2.gz UOCOKKRAEGPNEO-KGLIPLIRSA-N -1 3 377.424 0.893 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001575015752 950947882 /nfs/dbraw/zinc/94/78/82/950947882.db2.gz WESFFROJZITAIR-BMIGLBTASA-N -1 3 381.396 0.433 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001575015752 950947902 /nfs/dbraw/zinc/94/79/02/950947902.db2.gz WESFFROJZITAIR-BMIGLBTASA-N -1 3 381.396 0.433 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001575015950 950953267 /nfs/dbraw/zinc/95/32/67/950953267.db2.gz YOTIXZPIKONZSV-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001575015950 950953279 /nfs/dbraw/zinc/95/32/79/950953279.db2.gz YOTIXZPIKONZSV-QWRGUYRKSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573897198 950954918 /nfs/dbraw/zinc/95/49/18/950954918.db2.gz LXKWJYWZUXIGPU-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573897198 950954926 /nfs/dbraw/zinc/95/49/26/950954926.db2.gz LXKWJYWZUXIGPU-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001575016830 950958755 /nfs/dbraw/zinc/95/87/55/950958755.db2.gz AMEVGEPDOGDJFT-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001575016830 950958768 /nfs/dbraw/zinc/95/87/68/950958768.db2.gz AMEVGEPDOGDJFT-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ocnc1C(F)F ZINC001575016828 950958956 /nfs/dbraw/zinc/95/89/56/950958956.db2.gz ALPLRGTTXQIDJI-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ocnc1C(F)F ZINC001575016828 950958969 /nfs/dbraw/zinc/95/89/69/950958969.db2.gz ALPLRGTTXQIDJI-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)n1cncn1 ZINC001574772117 950960166 /nfs/dbraw/zinc/96/01/66/950960166.db2.gz PPQXTYUKJNCVMH-NWDGAFQWSA-N -1 3 387.423 0.795 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCc1cccnc1 ZINC001575015991 950960892 /nfs/dbraw/zinc/96/08/92/950960892.db2.gz ZORNNMNMMIUEOV-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCc1cccnc1 ZINC001575015991 950960905 /nfs/dbraw/zinc/96/09/05/950960905.db2.gz ZORNNMNMMIUEOV-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1ncc[nH]1 ZINC001574529840 950961109 /nfs/dbraw/zinc/96/11/09/950961109.db2.gz AQBIOAHSOJTXIL-GHMZBOCLSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1ncc[nH]1 ZINC001574529840 950961126 /nfs/dbraw/zinc/96/11/26/950961126.db2.gz AQBIOAHSOJTXIL-GHMZBOCLSA-N -1 3 385.432 0.564 20 0 GCADHM CC(C)(CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573897338 950961849 /nfs/dbraw/zinc/96/18/49/950961849.db2.gz OQELMCNTOCGKOW-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573897338 950961862 /nfs/dbraw/zinc/96/18/62/950961862.db2.gz OQELMCNTOCGKOW-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1nc[nH]n1 ZINC001575937998 950964327 /nfs/dbraw/zinc/96/43/27/950964327.db2.gz IEPHXYYYBANKNC-WDSKDSINSA-N -1 3 380.825 0.810 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573897773 950964788 /nfs/dbraw/zinc/96/47/88/950964788.db2.gz RTYWGSOPMCBINE-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573897773 950964803 /nfs/dbraw/zinc/96/48/03/950964803.db2.gz RTYWGSOPMCBINE-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575937986 950966639 /nfs/dbraw/zinc/96/66/39/950966639.db2.gz IBDUYBZAQOCHCP-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575937986 950966649 /nfs/dbraw/zinc/96/66/49/950966649.db2.gz IBDUYBZAQOCHCP-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cncs1 ZINC001574530239 950975453 /nfs/dbraw/zinc/97/54/53/950975453.db2.gz BBRUCIAQODGQQP-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cncs1 ZINC001574530239 950975469 /nfs/dbraw/zinc/97/54/69/950975469.db2.gz BBRUCIAQODGQQP-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncc(Cl)s1 ZINC001575017089 950976151 /nfs/dbraw/zinc/97/61/51/950976151.db2.gz HFWBKJWUAQQOOR-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncc(Cl)s1 ZINC001575017089 950976167 /nfs/dbraw/zinc/97/61/67/950976167.db2.gz HFWBKJWUAQQOOR-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001575643891 950978646 /nfs/dbraw/zinc/97/86/46/950978646.db2.gz QLQZEOPENILXDY-GFCCVEGCSA-N -1 3 385.428 0.294 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001575643891 950978662 /nfs/dbraw/zinc/97/86/62/950978662.db2.gz QLQZEOPENILXDY-GFCCVEGCSA-N -1 3 385.428 0.294 20 0 GCADHM CC(C)(CC(F)F)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573899495 950979828 /nfs/dbraw/zinc/97/98/28/950979828.db2.gz AUZNIKQADQCDNC-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM CC(C)(CC(F)F)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573899495 950979849 /nfs/dbraw/zinc/97/98/49/950979849.db2.gz AUZNIKQADQCDNC-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)C1=COCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530622 950987870 /nfs/dbraw/zinc/98/78/70/950987870.db2.gz CPHJYQNAVCXSIH-NXEZZACHSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)C1=COCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530622 950987896 /nfs/dbraw/zinc/98/78/96/950987896.db2.gz CPHJYQNAVCXSIH-NXEZZACHSA-N -1 3 375.389 0.096 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573899966 950989606 /nfs/dbraw/zinc/98/96/06/950989606.db2.gz MKNPKHZPWVVRLI-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573899966 950989627 /nfs/dbraw/zinc/98/96/27/950989627.db2.gz MKNPKHZPWVVRLI-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccon1 ZINC001574530648 950993655 /nfs/dbraw/zinc/99/36/55/950993655.db2.gz DAQGMGXOZUHAAK-QWRGUYRKSA-N -1 3 386.416 0.829 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccon1 ZINC001574530648 950993674 /nfs/dbraw/zinc/99/36/74/950993674.db2.gz DAQGMGXOZUHAAK-QWRGUYRKSA-N -1 3 386.416 0.829 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001575017547 951000573 /nfs/dbraw/zinc/00/05/73/951000573.db2.gz LELXDUCYIYEKGH-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001575017547 951000593 /nfs/dbraw/zinc/00/05/93/951000593.db2.gz LELXDUCYIYEKGH-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001573900258 951001475 /nfs/dbraw/zinc/00/14/75/951001475.db2.gz XCFCUIUAFISQNG-VXGBXAGGSA-N -1 3 399.377 0.906 20 0 GCADHM CC(C)(CC(F)(F)F)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001573900258 951001497 /nfs/dbraw/zinc/00/14/97/951001497.db2.gz XCFCUIUAFISQNG-VXGBXAGGSA-N -1 3 399.377 0.906 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1nnc2ccccc2n1 ZINC001575017584 951005118 /nfs/dbraw/zinc/00/51/18/951005118.db2.gz LZNSNCAOLFFUBH-VIFPVBQESA-N -1 3 392.383 0.081 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1nnc2ccccc2n1 ZINC001575017584 951005137 /nfs/dbraw/zinc/00/51/37/951005137.db2.gz LZNSNCAOLFFUBH-VIFPVBQESA-N -1 3 392.383 0.081 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1cnn(C)c1 ZINC001574530923 951005365 /nfs/dbraw/zinc/00/53/65/951005365.db2.gz DSVNTJXPROTINZ-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1cnn(C)c1 ZINC001574530923 951005383 /nfs/dbraw/zinc/00/53/83/951005383.db2.gz DSVNTJXPROTINZ-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575646649 951006017 /nfs/dbraw/zinc/00/60/17/951006017.db2.gz BXXOLQNKTLWMSM-KZULUSFZSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575646649 951006037 /nfs/dbraw/zinc/00/60/37/951006037.db2.gz BXXOLQNKTLWMSM-KZULUSFZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc2n[nH]cc2c1 ZINC001575018448 951021252 /nfs/dbraw/zinc/02/12/52/951021252.db2.gz QEZVKMLWKWLYTQ-MRVPVSSYSA-N -1 3 380.372 0.014 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc2n[nH]cc2c1 ZINC001575018448 951021265 /nfs/dbraw/zinc/02/12/65/951021265.db2.gz QEZVKMLWKWLYTQ-MRVPVSSYSA-N -1 3 380.372 0.014 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575019833 951048739 /nfs/dbraw/zinc/04/87/39/951048739.db2.gz WBFHALYCJMSQLQ-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575019833 951048748 /nfs/dbraw/zinc/04/87/48/951048748.db2.gz WBFHALYCJMSQLQ-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575024132 951093494 /nfs/dbraw/zinc/09/34/94/951093494.db2.gz VYEPUHNKLREQHA-VIFPVBQESA-N -1 3 386.441 0.677 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575024132 951093507 /nfs/dbraw/zinc/09/35/07/951093507.db2.gz VYEPUHNKLREQHA-VIFPVBQESA-N -1 3 386.441 0.677 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(NC(N)=O)cc1)Nc1ncccc1-c1nnn[n-]1 ZINC001575024391 951101997 /nfs/dbraw/zinc/10/19/97/951101997.db2.gz CTGYWZFWRBLZMG-JTQLQIEISA-N -1 3 381.400 0.983 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(NC(N)=O)cc1)Nc1ncccc1-c1nn[n-]n1 ZINC001575024391 951102005 /nfs/dbraw/zinc/10/20/05/951102005.db2.gz CTGYWZFWRBLZMG-JTQLQIEISA-N -1 3 381.400 0.983 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575024394 951102517 /nfs/dbraw/zinc/10/25/17/951102517.db2.gz CUBRSIKZXOMWCF-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575024394 951102523 /nfs/dbraw/zinc/10/25/23/951102523.db2.gz CUBRSIKZXOMWCF-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575024454 951104276 /nfs/dbraw/zinc/10/42/76/951104276.db2.gz DZRYUBUHJXMPQU-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575024454 951104289 /nfs/dbraw/zinc/10/42/89/951104289.db2.gz DZRYUBUHJXMPQU-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575024476 951104309 /nfs/dbraw/zinc/10/43/09/951104309.db2.gz FLUXLMUAXKOIRA-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575024476 951104322 /nfs/dbraw/zinc/10/43/22/951104322.db2.gz FLUXLMUAXKOIRA-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575024910 951119899 /nfs/dbraw/zinc/11/98/99/951119899.db2.gz POWZMFWLAXZNAD-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575024910 951119904 /nfs/dbraw/zinc/11/99/04/951119904.db2.gz POWZMFWLAXZNAD-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575024909 951120656 /nfs/dbraw/zinc/12/06/56/951120656.db2.gz POWZMFWLAXZNAD-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575024909 951120664 /nfs/dbraw/zinc/12/06/64/951120664.db2.gz POWZMFWLAXZNAD-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cccc2nccnc21)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575026871 951147167 /nfs/dbraw/zinc/14/71/67/951147167.db2.gz AAJZEFNRXXBZJG-SNVBAGLBSA-N -1 3 391.395 0.686 20 0 GCADHM C[C@H](CNC(=O)c1cccc2nccnc21)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575026871 951147178 /nfs/dbraw/zinc/14/71/78/951147178.db2.gz AAJZEFNRXXBZJG-SNVBAGLBSA-N -1 3 391.395 0.686 20 0 GCADHM C[C@H](CNC(=O)c1ccc2ncn(C)c2n1)Nc1ncccc1-c1nnn[n-]1 ZINC001575028087 951168147 /nfs/dbraw/zinc/16/81/47/951168147.db2.gz UQZKKHCCCSEYGN-SNVBAGLBSA-N -1 3 378.400 0.774 20 0 GCADHM C[C@H](CNC(=O)c1ccc2ncn(C)c2n1)Nc1ncccc1-c1nn[n-]n1 ZINC001575028087 951168153 /nfs/dbraw/zinc/16/81/53/951168153.db2.gz UQZKKHCCCSEYGN-SNVBAGLBSA-N -1 3 378.400 0.774 20 0 GCADHM C[C@H](CNC(=O)c1cccc(=O)n1C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575028486 951174263 /nfs/dbraw/zinc/17/42/63/951174263.db2.gz XNTUFYCHJVDXBJ-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@H](CNC(=O)c1cccc(=O)n1C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575028486 951174272 /nfs/dbraw/zinc/17/42/72/951174272.db2.gz XNTUFYCHJVDXBJ-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575031494 951194088 /nfs/dbraw/zinc/19/40/88/951194088.db2.gz BKVQYXKZNMOJCZ-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575031494 951194103 /nfs/dbraw/zinc/19/41/03/951194103.db2.gz BKVQYXKZNMOJCZ-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cccn2nccc12)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575031801 951204741 /nfs/dbraw/zinc/20/47/41/951204741.db2.gz JHGXJXNSAHUVBW-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cccn2nccc12)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575031801 951204746 /nfs/dbraw/zinc/20/47/46/951204746.db2.gz JHGXJXNSAHUVBW-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cccn2c(=O)[nH]nc12)Nc1ncccc1-c1nnn[n-]1 ZINC001575031836 951207871 /nfs/dbraw/zinc/20/78/71/951207871.db2.gz KANHNMHBMBRIRF-VIFPVBQESA-N -1 3 380.372 0.240 20 0 GCADHM C[C@@H](CNC(=O)c1cccn2c(=O)[nH]nc12)Nc1ncccc1-c1nn[n-]n1 ZINC001575031836 951207878 /nfs/dbraw/zinc/20/78/78/951207878.db2.gz KANHNMHBMBRIRF-VIFPVBQESA-N -1 3 380.372 0.240 20 0 GCADHM C[C@H](CNC(=O)c1cccn(C)c1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575031971 951211240 /nfs/dbraw/zinc/21/12/40/951211240.db2.gz NGCPCKROKHWBJX-LLVKDONJSA-N -1 3 385.403 0.959 20 0 GCADHM C[C@H](CNC(=O)c1cccn(C)c1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575031971 951211246 /nfs/dbraw/zinc/21/12/46/951211246.db2.gz NGCPCKROKHWBJX-LLVKDONJSA-N -1 3 385.403 0.959 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575031992 951213887 /nfs/dbraw/zinc/21/38/87/951213887.db2.gz NPTMFNUCDWMGPU-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575031992 951213891 /nfs/dbraw/zinc/21/38/91/951213891.db2.gz NPTMFNUCDWMGPU-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575032512 951227241 /nfs/dbraw/zinc/22/72/41/951227241.db2.gz ZINSEKLCOZQKDL-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575032512 951227249 /nfs/dbraw/zinc/22/72/49/951227249.db2.gz ZINSEKLCOZQKDL-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@](CNC(=O)c1ccns1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575033799 951229213 /nfs/dbraw/zinc/22/92/13/951229213.db2.gz BHXSTIKBDRASBV-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1ccns1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575033799 951229224 /nfs/dbraw/zinc/22/92/24/951229224.db2.gz BHXSTIKBDRASBV-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575034221 951241028 /nfs/dbraw/zinc/24/10/28/951241028.db2.gz JUYWORIADYXTDH-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575034221 951241037 /nfs/dbraw/zinc/24/10/37/951241037.db2.gz JUYWORIADYXTDH-JTQLQIEISA-N -1 3 391.386 0.978 20 0 GCADHM C[C@@](CNC(=O)c1ccncc1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575034430 951247235 /nfs/dbraw/zinc/24/72/35/951247235.db2.gz NBPQRJKHWKSIRE-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1ccncc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575034430 951247248 /nfs/dbraw/zinc/24/72/48/951247248.db2.gz NBPQRJKHWKSIRE-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575035106 951266207 /nfs/dbraw/zinc/26/62/07/951266207.db2.gz GGNWLRYBAVMDIH-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575035106 951266215 /nfs/dbraw/zinc/26/62/15/951266215.db2.gz GGNWLRYBAVMDIH-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575035752 951281661 /nfs/dbraw/zinc/28/16/61/951281661.db2.gz KNVISQOVSNDQCJ-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575035752 951281675 /nfs/dbraw/zinc/28/16/75/951281675.db2.gz KNVISQOVSNDQCJ-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575036338 951291907 /nfs/dbraw/zinc/29/19/07/951291907.db2.gz RKURLQSXOPWOAM-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575036338 951291914 /nfs/dbraw/zinc/29/19/14/951291914.db2.gz RKURLQSXOPWOAM-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575037510 951303998 /nfs/dbraw/zinc/30/39/98/951303998.db2.gz AAMUOGNHAVDHRG-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575037510 951304008 /nfs/dbraw/zinc/30/40/08/951304008.db2.gz AAMUOGNHAVDHRG-VIFPVBQESA-N -1 3 386.420 0.090 20 0 GCADHM C[C@@](CNC(=O)c1ccsn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575037566 951309227 /nfs/dbraw/zinc/30/92/27/951309227.db2.gz APVUQZWGFZJJJP-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1ccsn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575037566 951309241 /nfs/dbraw/zinc/30/92/41/951309241.db2.gz APVUQZWGFZJJJP-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001575039136 951330048 /nfs/dbraw/zinc/33/00/48/951330048.db2.gz NXJVLBWPPYXVNN-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001575039136 951330059 /nfs/dbraw/zinc/33/00/59/951330059.db2.gz NXJVLBWPPYXVNN-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575042722 951369201 /nfs/dbraw/zinc/36/92/01/951369201.db2.gz MNXROPNOIYKSHL-QMMMGPOBSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575042722 951369211 /nfs/dbraw/zinc/36/92/11/951369211.db2.gz MNXROPNOIYKSHL-QMMMGPOBSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575043121 951382779 /nfs/dbraw/zinc/38/27/79/951382779.db2.gz FYAUOZCZDOYKFI-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575043121 951382801 /nfs/dbraw/zinc/38/28/01/951382801.db2.gz FYAUOZCZDOYKFI-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575043302 951387588 /nfs/dbraw/zinc/38/75/88/951387588.db2.gz HXDCKHOKHQFZKF-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575043302 951387603 /nfs/dbraw/zinc/38/76/03/951387603.db2.gz HXDCKHOKHQFZKF-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCC2)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575044538 951415291 /nfs/dbraw/zinc/41/52/91/951415291.db2.gz SFHKUXSIHLEAFU-JTQLQIEISA-N -1 3 385.407 0.798 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCC2)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575044538 951415296 /nfs/dbraw/zinc/41/52/96/951415296.db2.gz SFHKUXSIHLEAFU-JTQLQIEISA-N -1 3 385.407 0.798 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ncccc1-c1nnn[n-]1 ZINC001575044950 951423503 /nfs/dbraw/zinc/42/35/03/951423503.db2.gz XYFHNSVHTSBWOB-LLVKDONJSA-N -1 3 382.432 0.596 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ncccc1-c1nn[n-]n1 ZINC001575044950 951423508 /nfs/dbraw/zinc/42/35/08/951423508.db2.gz XYFHNSVHTSBWOB-LLVKDONJSA-N -1 3 382.432 0.596 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2[nH]cnc2c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575044995 951423680 /nfs/dbraw/zinc/42/36/80/951423680.db2.gz YSBVFYGKRUTDMQ-JTQLQIEISA-N -1 3 378.400 0.788 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2[nH]cnc2c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575044995 951423686 /nfs/dbraw/zinc/42/36/86/951423686.db2.gz YSBVFYGKRUTDMQ-JTQLQIEISA-N -1 3 378.400 0.788 20 0 GCADHM C[C@H](CNC(=O)c1cnc2nccnc2c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575045918 951435643 /nfs/dbraw/zinc/43/56/43/951435643.db2.gz JMIKSXBPBUETJS-LLVKDONJSA-N -1 3 390.411 0.855 20 0 GCADHM C[C@H](CNC(=O)c1cnc2nccnc2c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575045918 951435651 /nfs/dbraw/zinc/43/56/51/951435651.db2.gz JMIKSXBPBUETJS-LLVKDONJSA-N -1 3 390.411 0.855 20 0 GCADHM C[C@H](CNC(=O)c1cncc(-n2ccnn2)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575046892 951451037 /nfs/dbraw/zinc/45/10/37/951451037.db2.gz VDQRGEUWQWVFAX-LLVKDONJSA-N -1 3 391.399 0.468 20 0 GCADHM C[C@H](CNC(=O)c1cncc(-n2ccnn2)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575046892 951451047 /nfs/dbraw/zinc/45/10/47/951451047.db2.gz VDQRGEUWQWVFAX-LLVKDONJSA-N -1 3 391.399 0.468 20 0 GCADHM C[C@H](CNC(=O)c1cncnc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575047019 951452094 /nfs/dbraw/zinc/45/20/94/951452094.db2.gz XGNKFWORHMRDOP-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1cncnc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575047019 951452098 /nfs/dbraw/zinc/45/20/98/951452098.db2.gz XGNKFWORHMRDOP-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575053140 951474881 /nfs/dbraw/zinc/47/48/81/951474881.db2.gz RAFYQKPKBFIIMG-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575053140 951474892 /nfs/dbraw/zinc/47/48/92/951474892.db2.gz RAFYQKPKBFIIMG-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575053195 951476976 /nfs/dbraw/zinc/47/69/76/951476976.db2.gz ABNGNENWXVCJMU-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575053195 951476985 /nfs/dbraw/zinc/47/69/85/951476985.db2.gz ABNGNENWXVCJMU-NSHDSACASA-N -1 3 383.416 0.719 20 0 GCADHM C[C@](CNC(=O)c1cnns1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575053380 951477954 /nfs/dbraw/zinc/47/79/54/951477954.db2.gz BUASZTGPJAGBFM-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1cnns1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575053380 951477957 /nfs/dbraw/zinc/47/79/57/951477957.db2.gz BUASZTGPJAGBFM-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053633 951478691 /nfs/dbraw/zinc/47/86/91/951478691.db2.gz SONPQEXMBIHEGY-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053633 951478699 /nfs/dbraw/zinc/47/86/99/951478699.db2.gz SONPQEXMBIHEGY-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575054603 951493250 /nfs/dbraw/zinc/49/32/50/951493250.db2.gz YWVNKTWQEPAQQW-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575054603 951493257 /nfs/dbraw/zinc/49/32/57/951493257.db2.gz YWVNKTWQEPAQQW-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575054706 951496624 /nfs/dbraw/zinc/49/66/24/951496624.db2.gz KDEWEDFTUFAGOQ-SNVBAGLBSA-N -1 3 391.386 0.822 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CCF)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575054706 951496635 /nfs/dbraw/zinc/49/66/35/951496635.db2.gz KDEWEDFTUFAGOQ-SNVBAGLBSA-N -1 3 391.386 0.822 20 0 GCADHM C[C@H](CNC(=O)c1cnn2ncccc12)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575055075 951499328 /nfs/dbraw/zinc/49/93/28/951499328.db2.gz NIUSBECXBZBOJS-LLVKDONJSA-N -1 3 378.400 0.559 20 0 GCADHM C[C@H](CNC(=O)c1cnn2ncccc12)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575055075 951499334 /nfs/dbraw/zinc/49/93/34/951499334.db2.gz NIUSBECXBZBOJS-LLVKDONJSA-N -1 3 378.400 0.559 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCC2)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575055264 951502038 /nfs/dbraw/zinc/50/20/38/951502038.db2.gz PEDNWAFIFFCXCI-SNVBAGLBSA-N -1 3 385.407 0.798 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCC2)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575055264 951502044 /nfs/dbraw/zinc/50/20/44/951502044.db2.gz PEDNWAFIFFCXCI-SNVBAGLBSA-N -1 3 385.407 0.798 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055444 951506259 /nfs/dbraw/zinc/50/62/59/951506259.db2.gz UKRJIWHTZDFXEK-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055444 951506267 /nfs/dbraw/zinc/50/62/67/951506267.db2.gz UKRJIWHTZDFXEK-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1csc(=O)[nH]1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575056035 951516597 /nfs/dbraw/zinc/51/65/97/951516597.db2.gz DTSGQTHLUNZXBS-SSDOTTSWSA-N -1 3 378.393 0.818 20 0 GCADHM C[C@H](CNC(=O)c1csc(=O)[nH]1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575056375 951521021 /nfs/dbraw/zinc/52/10/21/951521021.db2.gz IEXAUAQSRSIXBT-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@@](CNC(=O)c1csnn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575061172 951554763 /nfs/dbraw/zinc/55/47/63/951554763.db2.gz KTPXSBKVEZBVAI-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1csnn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575061172 951554770 /nfs/dbraw/zinc/55/47/70/951554770.db2.gz KTPXSBKVEZBVAI-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575064634 951575229 /nfs/dbraw/zinc/57/52/29/951575229.db2.gz BQCLNGYIGVHAKP-JTQLQIEISA-N -1 3 385.436 0.258 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575064634 951575235 /nfs/dbraw/zinc/57/52/35/951575235.db2.gz BQCLNGYIGVHAKP-JTQLQIEISA-N -1 3 385.436 0.258 20 0 GCADHM C[C@](CNC(=O)c1ncccn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575065252 951582090 /nfs/dbraw/zinc/58/20/90/951582090.db2.gz AMXBBINLBUOESI-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ncccn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575065252 951582092 /nfs/dbraw/zinc/58/20/92/951582092.db2.gz AMXBBINLBUOESI-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575065340 951584297 /nfs/dbraw/zinc/58/42/97/951584297.db2.gz GFVVDAPSKCQJCR-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575065340 951584306 /nfs/dbraw/zinc/58/43/06/951584306.db2.gz GFVVDAPSKCQJCR-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575067241 951606454 /nfs/dbraw/zinc/60/64/54/951606454.db2.gz PBORZBHNRFJYND-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575067241 951606460 /nfs/dbraw/zinc/60/64/60/951606460.db2.gz PBORZBHNRFJYND-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575067245 951606776 /nfs/dbraw/zinc/60/67/76/951606776.db2.gz PDOUNGVMDISKBG-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575067245 951606780 /nfs/dbraw/zinc/60/67/80/951606780.db2.gz PDOUNGVMDISKBG-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575067390 951612461 /nfs/dbraw/zinc/61/24/61/951612461.db2.gz RYHUUDGJXNWSAN-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575067390 951612469 /nfs/dbraw/zinc/61/24/69/951612469.db2.gz RYHUUDGJXNWSAN-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575067458 951613702 /nfs/dbraw/zinc/61/37/02/951613702.db2.gz MGKFYQKLVKQARU-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575067458 951613708 /nfs/dbraw/zinc/61/37/08/951613708.db2.gz MGKFYQKLVKQARU-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1nccnc1N)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575067507 951613806 /nfs/dbraw/zinc/61/38/06/951613806.db2.gz MTJBKEAFFQPKNZ-JTQLQIEISA-N -1 3 385.407 0.628 20 0 GCADHM C[C@@H](CNC(=O)c1nccnc1C(N)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575068087 951629910 /nfs/dbraw/zinc/62/99/10/951629910.db2.gz XGIHEYLBNKNSLJ-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@@H](CNC(=O)c1nccnc1C(N)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575068087 951629918 /nfs/dbraw/zinc/62/99/18/951629918.db2.gz XGIHEYLBNKNSLJ-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM O=C([O-])CN1CC[C@H](N[C@@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC001595079812 951669317 /nfs/dbraw/zinc/66/93/17/951669317.db2.gz TXQCDTCMUIIQTR-YOEHRIQHSA-N -1 3 397.269 0.944 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl)S(C)(=O)=O ZINC001575116153 951968238 /nfs/dbraw/zinc/96/82/38/951968238.db2.gz ALTNNUYCPDRMGX-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl)S(C)(=O)=O ZINC001575116153 951968244 /nfs/dbraw/zinc/96/82/44/951968244.db2.gz ALTNNUYCPDRMGX-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@@H](CNCc1nnsc1Cl)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116768 951973932 /nfs/dbraw/zinc/97/39/32/951973932.db2.gz ICUOQEFNAOVTSQ-ZETCQYMHSA-N -1 3 381.853 0.855 20 0 GCADHM C[C@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575117657 951980284 /nfs/dbraw/zinc/98/02/84/951980284.db2.gz OCSKIHCTMBBVNP-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM C[C@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575117657 951980290 /nfs/dbraw/zinc/98/02/90/951980290.db2.gz OCSKIHCTMBBVNP-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM C[C@@H](CNCc1nc(C(F)F)no1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575117775 951982194 /nfs/dbraw/zinc/98/21/94/951982194.db2.gz PPJSCLYJQKZPES-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@@H](CNCc1nc(C(F)F)no1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575117775 951982201 /nfs/dbraw/zinc/98/22/01/951982201.db2.gz PPJSCLYJQKZPES-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1nccn1C ZINC001575121186 951994184 /nfs/dbraw/zinc/99/41/84/951994184.db2.gz CVLDHCNGFAJGDA-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1nccn1C ZINC001575121186 951994191 /nfs/dbraw/zinc/99/41/91/951994191.db2.gz CVLDHCNGFAJGDA-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575121540 951996580 /nfs/dbraw/zinc/99/65/80/951996580.db2.gz FZDXTDCFAHQDLS-KRWDZBQOSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001575121540 951996585 /nfs/dbraw/zinc/99/65/85/951996585.db2.gz FZDXTDCFAHQDLS-KRWDZBQOSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575122875 952006713 /nfs/dbraw/zinc/00/67/13/952006713.db2.gz AAMNMWKOFPFVCR-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575122875 952006720 /nfs/dbraw/zinc/00/67/20/952006720.db2.gz AAMNMWKOFPFVCR-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575123369 952012471 /nfs/dbraw/zinc/01/24/71/952012471.db2.gz CJNCNEAXKUJRBA-KRWDZBQOSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575123369 952012484 /nfs/dbraw/zinc/01/24/84/952012484.db2.gz CJNCNEAXKUJRBA-KRWDZBQOSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575124026 952022637 /nfs/dbraw/zinc/02/26/37/952022637.db2.gz FGGKNDGOANZAMF-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575124026 952022644 /nfs/dbraw/zinc/02/26/44/952022644.db2.gz FGGKNDGOANZAMF-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575124559 952032789 /nfs/dbraw/zinc/03/27/89/952032789.db2.gz UGWMGYRMSKKYIK-LBPRGKRZSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575124559 952032798 /nfs/dbraw/zinc/03/27/98/952032798.db2.gz UGWMGYRMSKKYIK-LBPRGKRZSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575124614 952033940 /nfs/dbraw/zinc/03/39/40/952033940.db2.gz VJIOVRJHSODWGN-ADLMAVQZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575124614 952033945 /nfs/dbraw/zinc/03/39/45/952033945.db2.gz VJIOVRJHSODWGN-ADLMAVQZSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575125112 952037833 /nfs/dbraw/zinc/03/78/33/952037833.db2.gz MHFDSFCFKHLUEL-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575125112 952037839 /nfs/dbraw/zinc/03/78/39/952037839.db2.gz MHFDSFCFKHLUEL-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575126599 952051438 /nfs/dbraw/zinc/05/14/38/952051438.db2.gz TVHDNEWGVKOCLG-KBXCAEBGSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575126599 952051445 /nfs/dbraw/zinc/05/14/45/952051445.db2.gz TVHDNEWGVKOCLG-KBXCAEBGSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575126547 952052074 /nfs/dbraw/zinc/05/20/74/952052074.db2.gz SKHWSHVSQLJDMQ-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575126547 952052086 /nfs/dbraw/zinc/05/20/86/952052086.db2.gz SKHWSHVSQLJDMQ-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cnn2ccncc12 ZINC001575128795 952071166 /nfs/dbraw/zinc/07/11/66/952071166.db2.gz MFLWDHKXIATDKA-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cnn2ccncc12 ZINC001575128795 952071177 /nfs/dbraw/zinc/07/11/77/952071177.db2.gz MFLWDHKXIATDKA-NSHDSACASA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575129512 952082478 /nfs/dbraw/zinc/08/24/78/952082478.db2.gz UNZXWJGOVPWYRR-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575129512 952082491 /nfs/dbraw/zinc/08/24/91/952082491.db2.gz UNZXWJGOVPWYRR-SECBINFHSA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)COCc1nccn1C ZINC001575129665 952084160 /nfs/dbraw/zinc/08/41/60/952084160.db2.gz YHVMQADNIDOOMQ-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)COCc1nccn1C ZINC001575129665 952084166 /nfs/dbraw/zinc/08/41/66/952084166.db2.gz YHVMQADNIDOOMQ-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)NCCN2CCCCC2)C1 ZINC001602892476 971803749 /nfs/dbraw/zinc/80/37/49/971803749.db2.gz HFIGTLBWKXZCNF-GOSISDBHSA-N -1 3 385.461 0.679 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575134524 952112317 /nfs/dbraw/zinc/11/23/17/952112317.db2.gz IWVURWWYKVCTIH-MFKMUULPSA-N -1 3 390.423 0.808 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575134524 952112323 /nfs/dbraw/zinc/11/23/23/952112323.db2.gz IWVURWWYKVCTIH-MFKMUULPSA-N -1 3 390.423 0.808 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575137072 952133768 /nfs/dbraw/zinc/13/37/68/952133768.db2.gz SXESORDUCWOPJL-YVEFUNNKSA-N -1 3 389.391 0.811 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575137072 952133772 /nfs/dbraw/zinc/13/37/72/952133772.db2.gz SXESORDUCWOPJL-YVEFUNNKSA-N -1 3 389.391 0.811 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575137082 952134956 /nfs/dbraw/zinc/13/49/56/952134956.db2.gz TXVHNLQFJGTDEB-SNVBAGLBSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575137082 952134960 /nfs/dbraw/zinc/13/49/60/952134960.db2.gz TXVHNLQFJGTDEB-SNVBAGLBSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575137310 952137556 /nfs/dbraw/zinc/13/75/56/952137556.db2.gz WKDGLBMBCFNJGM-WDEREUQCSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575137310 952137559 /nfs/dbraw/zinc/13/75/59/952137559.db2.gz WKDGLBMBCFNJGM-WDEREUQCSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001575137335 952138003 /nfs/dbraw/zinc/13/80/03/952138003.db2.gz WTDWPWMGUGDLRS-NXEZZACHSA-N -1 3 384.437 0.698 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001575137335 952138008 /nfs/dbraw/zinc/13/80/08/952138008.db2.gz WTDWPWMGUGDLRS-NXEZZACHSA-N -1 3 384.437 0.698 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575137419 952138538 /nfs/dbraw/zinc/13/85/38/952138538.db2.gz YPNBFWUTRIHURL-QWRGUYRKSA-N -1 3 375.408 0.743 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575137419 952138540 /nfs/dbraw/zinc/13/85/40/952138540.db2.gz YPNBFWUTRIHURL-QWRGUYRKSA-N -1 3 375.408 0.743 20 0 GCADHM O=C([O-])Cn1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1=O ZINC001595153965 952154384 /nfs/dbraw/zinc/15/43/84/952154384.db2.gz BSEBBJBBPDZRAM-FUHWJXTLSA-N -1 3 399.447 0.546 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575153397 952208304 /nfs/dbraw/zinc/20/83/04/952208304.db2.gz GVXWGQYHNBEAJK-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575154171 952216692 /nfs/dbraw/zinc/21/66/92/952216692.db2.gz PNJIDGYBONOFFE-GHMZBOCLSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575154724 952229063 /nfs/dbraw/zinc/22/90/63/952229063.db2.gz VFAVYJQZWYPLHY-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575155072 952234319 /nfs/dbraw/zinc/23/43/19/952234319.db2.gz JZZYSBGCCDVJGM-KRWDZBQOSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575155072 952234323 /nfs/dbraw/zinc/23/43/23/952234323.db2.gz JZZYSBGCCDVJGM-KRWDZBQOSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575163553 952279978 /nfs/dbraw/zinc/27/99/78/952279978.db2.gz DBZQJLKDWOUWEK-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575163553 952279982 /nfs/dbraw/zinc/27/99/82/952279982.db2.gz DBZQJLKDWOUWEK-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575163718 952281492 /nfs/dbraw/zinc/28/14/92/952281492.db2.gz FCJPKCXIEBVZIC-MNOVXSKESA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575163718 952281498 /nfs/dbraw/zinc/28/14/98/952281498.db2.gz FCJPKCXIEBVZIC-MNOVXSKESA-N -1 3 390.423 0.576 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575163712 952282237 /nfs/dbraw/zinc/28/22/37/952282237.db2.gz FBVYGWLXNRRWKN-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575163712 952282241 /nfs/dbraw/zinc/28/22/41/952282241.db2.gz FBVYGWLXNRRWKN-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575163999 952285385 /nfs/dbraw/zinc/28/53/85/952285385.db2.gz HDDBUTHLSKSQAK-MNOVXSKESA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575163999 952285393 /nfs/dbraw/zinc/28/53/93/952285393.db2.gz HDDBUTHLSKSQAK-MNOVXSKESA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575164260 952290361 /nfs/dbraw/zinc/29/03/61/952290361.db2.gz JVQMCAKHOBGKIK-GXSJLCMTSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575164260 952290366 /nfs/dbraw/zinc/29/03/66/952290366.db2.gz JVQMCAKHOBGKIK-GXSJLCMTSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575164650 952297751 /nfs/dbraw/zinc/29/77/51/952297751.db2.gz MLEUKCTZNXPQKU-HNNXBMFYSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001575164650 952297755 /nfs/dbraw/zinc/29/77/55/952297755.db2.gz MLEUKCTZNXPQKU-HNNXBMFYSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575165045 952302032 /nfs/dbraw/zinc/30/20/32/952302032.db2.gz QJBXJMSLTCFWRO-ABKXIKBNSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575165045 952302037 /nfs/dbraw/zinc/30/20/37/952302037.db2.gz QJBXJMSLTCFWRO-ABKXIKBNSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575165039 952302567 /nfs/dbraw/zinc/30/25/67/952302567.db2.gz QHCDUMBQFAYKPI-KZULUSFZSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575165039 952302573 /nfs/dbraw/zinc/30/25/73/952302573.db2.gz QHCDUMBQFAYKPI-KZULUSFZSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575165006 952302712 /nfs/dbraw/zinc/30/27/12/952302712.db2.gz JEPQRTBCABRMCD-SKDRFNHKSA-N -1 3 392.851 0.795 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575165006 952302718 /nfs/dbraw/zinc/30/27/18/952302718.db2.gz JEPQRTBCABRMCD-SKDRFNHKSA-N -1 3 392.851 0.795 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575165001 952302997 /nfs/dbraw/zinc/30/29/97/952302997.db2.gz QCNWQGJBDWKXBC-VHSXEESVSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575165001 952303002 /nfs/dbraw/zinc/30/30/02/952303002.db2.gz QCNWQGJBDWKXBC-VHSXEESVSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575165377 952308519 /nfs/dbraw/zinc/30/85/19/952308519.db2.gz SGKXHFORULDQHR-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001575165377 952308525 /nfs/dbraw/zinc/30/85/25/952308525.db2.gz SGKXHFORULDQHR-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575165360 952309026 /nfs/dbraw/zinc/30/90/26/952309026.db2.gz NWVCWSHIPMXYTH-LDYMZIIASA-N -1 3 378.824 0.453 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575165360 952309035 /nfs/dbraw/zinc/30/90/35/952309035.db2.gz NWVCWSHIPMXYTH-LDYMZIIASA-N -1 3 378.824 0.453 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575165440 952309269 /nfs/dbraw/zinc/30/92/69/952309269.db2.gz TVVDEECJUBTESB-QWRGUYRKSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575165440 952309276 /nfs/dbraw/zinc/30/92/76/952309276.db2.gz TVVDEECJUBTESB-QWRGUYRKSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575165614 952311235 /nfs/dbraw/zinc/31/12/35/952311235.db2.gz UHPKCBBNRBBDSF-QGZVFWFLSA-N -1 3 381.400 0.356 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575165614 952311241 /nfs/dbraw/zinc/31/12/41/952311241.db2.gz UHPKCBBNRBBDSF-QGZVFWFLSA-N -1 3 381.400 0.356 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575165704 952313786 /nfs/dbraw/zinc/31/37/86/952313786.db2.gz VEYWQPYXKPXSQN-UWVGGRQHSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575165704 952313797 /nfs/dbraw/zinc/31/37/97/952313797.db2.gz VEYWQPYXKPXSQN-UWVGGRQHSA-N -1 3 377.380 0.613 20 0 GCADHM C[C@@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575165977 952317575 /nfs/dbraw/zinc/31/75/75/952317575.db2.gz RMSHHHIDTWZBCD-PXAZEXFGSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575165977 952317586 /nfs/dbraw/zinc/31/75/86/952317586.db2.gz RMSHHHIDTWZBCD-PXAZEXFGSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575166122 952320628 /nfs/dbraw/zinc/32/06/28/952320628.db2.gz YPVHHUWKYYWXJU-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001575166122 952320621 /nfs/dbraw/zinc/32/06/21/952320621.db2.gz YPVHHUWKYYWXJU-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1cnnn1C ZINC001575166304 952323567 /nfs/dbraw/zinc/32/35/67/952323567.db2.gz VCKUHVIYKYVWTQ-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1cnnn1C ZINC001575166304 952323578 /nfs/dbraw/zinc/32/35/78/952323578.db2.gz VCKUHVIYKYVWTQ-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575166293 952323802 /nfs/dbraw/zinc/32/38/02/952323802.db2.gz UTRVKGMVKJBYHY-XVKPBYJWSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001575166293 952323808 /nfs/dbraw/zinc/32/38/08/952323808.db2.gz UTRVKGMVKJBYHY-XVKPBYJWSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1ncn(C)n1 ZINC001575166286 952324980 /nfs/dbraw/zinc/32/49/80/952324980.db2.gz UMYGKPMPMIDSBE-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1ncn(C)n1 ZINC001575166286 952324986 /nfs/dbraw/zinc/32/49/86/952324986.db2.gz UMYGKPMPMIDSBE-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575166472 952326102 /nfs/dbraw/zinc/32/61/02/952326102.db2.gz WKJCKGGHYRUJKB-ZJUUUORDSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575166472 952326113 /nfs/dbraw/zinc/32/61/13/952326113.db2.gz WKJCKGGHYRUJKB-ZJUUUORDSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575166957 952330363 /nfs/dbraw/zinc/33/03/63/952330363.db2.gz AZJWKUCRECUKDG-STQMWFEESA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575166957 952330371 /nfs/dbraw/zinc/33/03/71/952330371.db2.gz AZJWKUCRECUKDG-STQMWFEESA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575166956 952330882 /nfs/dbraw/zinc/33/08/82/952330882.db2.gz AZJWKUCRECUKDG-QWHCGFSZSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575166956 952330889 /nfs/dbraw/zinc/33/08/89/952330889.db2.gz AZJWKUCRECUKDG-QWHCGFSZSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575166983 952332244 /nfs/dbraw/zinc/33/22/44/952332244.db2.gz BMBPUUOLTSJBBJ-WDEREUQCSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575166983 952332248 /nfs/dbraw/zinc/33/22/48/952332248.db2.gz BMBPUUOLTSJBBJ-WDEREUQCSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575167144 952334590 /nfs/dbraw/zinc/33/45/90/952334590.db2.gz CPVLOCCVEVQHHD-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575167144 952334598 /nfs/dbraw/zinc/33/45/98/952334598.db2.gz CPVLOCCVEVQHHD-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575168849 952344627 /nfs/dbraw/zinc/34/46/27/952344627.db2.gz OGNSVFYTMAEKAF-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575168849 952344633 /nfs/dbraw/zinc/34/46/33/952344633.db2.gz OGNSVFYTMAEKAF-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001575169747 952350517 /nfs/dbraw/zinc/35/05/17/952350517.db2.gz SJHBCGWKVDIBGR-NSHDSACASA-N -1 3 381.462 0.344 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001575169747 952350522 /nfs/dbraw/zinc/35/05/22/952350522.db2.gz SJHBCGWKVDIBGR-NSHDSACASA-N -1 3 381.462 0.344 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575170366 952353690 /nfs/dbraw/zinc/35/36/90/952353690.db2.gz YCIXNGXAKWQUJP-YPMHNXCESA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575170366 952353694 /nfs/dbraw/zinc/35/36/94/952353694.db2.gz YCIXNGXAKWQUJP-YPMHNXCESA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575170362 952353914 /nfs/dbraw/zinc/35/39/14/952353914.db2.gz YCIXNGXAKWQUJP-DGCLKSJQSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001575170362 952353920 /nfs/dbraw/zinc/35/39/20/952353920.db2.gz YCIXNGXAKWQUJP-DGCLKSJQSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575170316 952354702 /nfs/dbraw/zinc/35/47/02/952354702.db2.gz XHHHKXVITKFEAS-PWNZVWSESA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575170316 952354708 /nfs/dbraw/zinc/35/47/08/952354708.db2.gz XHHHKXVITKFEAS-PWNZVWSESA-N -1 3 387.444 0.572 20 0 GCADHM C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575174401 952371487 /nfs/dbraw/zinc/37/14/87/952371487.db2.gz NPIGYGVDOBJULU-QGZVFWFLSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575174401 952371489 /nfs/dbraw/zinc/37/14/89/952371489.db2.gz NPIGYGVDOBJULU-QGZVFWFLSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575174400 952371807 /nfs/dbraw/zinc/37/18/07/952371807.db2.gz NPIGYGVDOBJULU-KRWDZBQOSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575174400 952371816 /nfs/dbraw/zinc/37/18/16/952371816.db2.gz NPIGYGVDOBJULU-KRWDZBQOSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575174735 952379035 /nfs/dbraw/zinc/37/90/35/952379035.db2.gz RUVYCVLHKLDFDW-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575174735 952379040 /nfs/dbraw/zinc/37/90/40/952379040.db2.gz RUVYCVLHKLDFDW-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001575184749 952423356 /nfs/dbraw/zinc/42/33/56/952423356.db2.gz BLVLPQNGLLFIMH-CWMRNNLJSA-N -1 3 377.879 0.908 20 0 GCADHM C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001575184749 952423362 /nfs/dbraw/zinc/42/33/62/952423362.db2.gz BLVLPQNGLLFIMH-CWMRNNLJSA-N -1 3 377.879 0.908 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575184971 952426141 /nfs/dbraw/zinc/42/61/41/952426141.db2.gz IHDQBSALCUYXTD-OCCSQVGLSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575184971 952426145 /nfs/dbraw/zinc/42/61/45/952426145.db2.gz IHDQBSALCUYXTD-OCCSQVGLSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575184970 952427000 /nfs/dbraw/zinc/42/70/00/952427000.db2.gz IHDQBSALCUYXTD-JSGCOSHPSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575184970 952427005 /nfs/dbraw/zinc/42/70/05/952427005.db2.gz IHDQBSALCUYXTD-JSGCOSHPSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575185539 952434381 /nfs/dbraw/zinc/43/43/81/952434381.db2.gz RVJRPRDTIHFJIV-SNVBAGLBSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575185539 952434387 /nfs/dbraw/zinc/43/43/87/952434387.db2.gz RVJRPRDTIHFJIV-SNVBAGLBSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575185753 952435030 /nfs/dbraw/zinc/43/50/30/952435030.db2.gz VSAZLRPSJSUXIE-JTQLQIEISA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575185753 952435033 /nfs/dbraw/zinc/43/50/33/952435033.db2.gz VSAZLRPSJSUXIE-JTQLQIEISA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccccc1-c1nnn[n-]1 ZINC001575186060 952437401 /nfs/dbraw/zinc/43/74/01/952437401.db2.gz YKBCRRSUYFATMR-LBPRGKRZSA-N -1 3 380.474 0.095 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccccc1-c1nn[n-]n1 ZINC001575186060 952437406 /nfs/dbraw/zinc/43/74/06/952437406.db2.gz YKBCRRSUYFATMR-LBPRGKRZSA-N -1 3 380.474 0.095 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001575186062 952438013 /nfs/dbraw/zinc/43/80/13/952438013.db2.gz YLKARBSOVKRGGV-NSHDSACASA-N -1 3 389.441 0.731 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001575186062 952438015 /nfs/dbraw/zinc/43/80/15/952438015.db2.gz YLKARBSOVKRGGV-NSHDSACASA-N -1 3 389.441 0.731 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575188529 952448707 /nfs/dbraw/zinc/44/87/07/952448707.db2.gz JGJSXQOCLRBTRK-NEPJUHHUSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575188529 952448712 /nfs/dbraw/zinc/44/87/12/952448712.db2.gz JGJSXQOCLRBTRK-NEPJUHHUSA-N -1 3 383.412 0.997 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001571114304 952451278 /nfs/dbraw/zinc/45/12/78/952451278.db2.gz GGCYEJSHGWKNSV-LBPRGKRZSA-N -1 3 375.364 0.517 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001571114304 952451281 /nfs/dbraw/zinc/45/12/81/952451281.db2.gz GGCYEJSHGWKNSV-LBPRGKRZSA-N -1 3 375.364 0.517 20 0 GCADHM O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571114286 952452074 /nfs/dbraw/zinc/45/20/74/952452074.db2.gz FXABYCMSALZXJB-GJZGRUSLSA-N -1 3 375.385 0.942 20 0 GCADHM O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571114286 952452077 /nfs/dbraw/zinc/45/20/77/952452077.db2.gz FXABYCMSALZXJB-GJZGRUSLSA-N -1 3 375.385 0.942 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575189773 952458412 /nfs/dbraw/zinc/45/84/12/952458412.db2.gz QHHLGATYFNJNNC-GXTWGEPZSA-N -1 3 385.428 0.965 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575189773 952458413 /nfs/dbraw/zinc/45/84/13/952458413.db2.gz QHHLGATYFNJNNC-GXTWGEPZSA-N -1 3 385.428 0.965 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1ccn(C(F)F)n1 ZINC001571115194 952464389 /nfs/dbraw/zinc/46/43/89/952464389.db2.gz RRCNJSXBJQYGET-VIFPVBQESA-N -1 3 375.343 0.862 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1ccn(C(F)F)n1 ZINC001571115194 952464391 /nfs/dbraw/zinc/46/43/91/952464391.db2.gz RRCNJSXBJQYGET-VIFPVBQESA-N -1 3 375.343 0.862 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1nnc2n1CCN(C)C2=O ZINC001575191107 952466041 /nfs/dbraw/zinc/46/60/41/952466041.db2.gz WGUULURUDHOPFD-NSHDSACASA-N -1 3 395.427 0.039 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1nnc2n1CCN(C)C2=O ZINC001575191107 952466046 /nfs/dbraw/zinc/46/60/46/952466046.db2.gz WGUULURUDHOPFD-NSHDSACASA-N -1 3 395.427 0.039 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575195893 952473229 /nfs/dbraw/zinc/47/32/29/952473229.db2.gz CUJZZNFGKLSUMC-RYUDHWBXSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575195893 952473232 /nfs/dbraw/zinc/47/32/32/952473232.db2.gz CUJZZNFGKLSUMC-RYUDHWBXSA-N -1 3 383.412 0.997 20 0 GCADHM O=C(NC[C@H]1COCCN1CC[C@@H]1CCOC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571116606 952475182 /nfs/dbraw/zinc/47/51/82/952475182.db2.gz AHWSKHICAXKDEF-OCCSQVGLSA-N -1 3 375.433 0.052 20 0 GCADHM O=C(NC[C@H]1COCCN1CC[C@@H]1CCOC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571116606 952475190 /nfs/dbraw/zinc/47/51/90/952475190.db2.gz AHWSKHICAXKDEF-OCCSQVGLSA-N -1 3 375.433 0.052 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)NC1 ZINC001571116600 952475311 /nfs/dbraw/zinc/47/53/11/952475311.db2.gz ADYIVXOTYLSMMZ-GHMZBOCLSA-N -1 3 375.458 0.145 20 0 GCADHM CSCC(=O)N1CC[C@]2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCC[C@H]12 ZINC001571116669 952476516 /nfs/dbraw/zinc/47/65/16/952476516.db2.gz BWAQFQRWFXSTIB-BLLLJJGKSA-N -1 3 375.458 0.811 20 0 GCADHM CSCC(=O)N1CC[C@]2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC[C@H]12 ZINC001571116669 952476525 /nfs/dbraw/zinc/47/65/25/952476525.db2.gz BWAQFQRWFXSTIB-BLLLJJGKSA-N -1 3 375.458 0.811 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001575196822 952477049 /nfs/dbraw/zinc/47/70/49/952477049.db2.gz JKVZTVAYMBPERC-DFBGVHRSSA-N -1 3 383.412 0.399 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001575196822 952477052 /nfs/dbraw/zinc/47/70/52/952477052.db2.gz JKVZTVAYMBPERC-DFBGVHRSSA-N -1 3 383.412 0.399 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C1CCCCC1 ZINC001571116794 952477390 /nfs/dbraw/zinc/47/73/90/952477390.db2.gz CKXFQSHBBHCDBQ-KGLIPLIRSA-N -1 3 375.408 0.647 20 0 GCADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C1CCCCC1 ZINC001571116794 952477393 /nfs/dbraw/zinc/47/73/93/952477393.db2.gz CKXFQSHBBHCDBQ-KGLIPLIRSA-N -1 3 375.408 0.647 20 0 GCADHM CN1C[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)CC1=O ZINC001571116872 952477742 /nfs/dbraw/zinc/47/77/42/952477742.db2.gz FGCCVIOFOMOTLS-WDEREUQCSA-N -1 3 375.458 0.097 20 0 GCADHM COCC(=O)N1C[C@@]2(C)CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@]2(C)C1 ZINC001571116811 952478259 /nfs/dbraw/zinc/47/82/59/952478259.db2.gz DBYBETYRFRIKIM-CALCHBBNSA-N -1 3 375.408 0.722 20 0 GCADHM COCC(=O)N1C[C@@]2(C)CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@]2(C)C1 ZINC001571116811 952478264 /nfs/dbraw/zinc/47/82/64/952478264.db2.gz DBYBETYRFRIKIM-CALCHBBNSA-N -1 3 375.408 0.722 20 0 GCADHM Cc1nonc1C(=O)NC[C@H]1CCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001571116859 952478351 /nfs/dbraw/zinc/47/83/51/952478351.db2.gz FCYNPLZVUJMCRO-SECBINFHSA-N -1 3 375.418 0.722 20 0 GCADHM CN1C[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)CC1=O ZINC001571116867 952478575 /nfs/dbraw/zinc/47/85/75/952478575.db2.gz FGCCVIOFOMOTLS-GHMZBOCLSA-N -1 3 375.458 0.097 20 0 GCADHM CC[C@@H](C)C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571117130 952479114 /nfs/dbraw/zinc/47/91/14/952479114.db2.gz HBJJFJOYOAGXGY-DGCLKSJQSA-N -1 3 375.433 0.588 20 0 GCADHM CC[C@@H](C)C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571117130 952479118 /nfs/dbraw/zinc/47/91/18/952479118.db2.gz HBJJFJOYOAGXGY-DGCLKSJQSA-N -1 3 375.433 0.588 20 0 GCADHM CO[C@H](C)C(=O)N1CCCO[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571117100 952479859 /nfs/dbraw/zinc/47/98/59/952479859.db2.gz GVIQZOHRQDYIIP-CHWSQXEVSA-N -1 3 375.433 0.634 20 0 GCADHM CO[C@H](C)C(=O)N1CCCO[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571117100 952479861 /nfs/dbraw/zinc/47/98/61/952479861.db2.gz GVIQZOHRQDYIIP-CHWSQXEVSA-N -1 3 375.433 0.634 20 0 GCADHM CC(C)[C@H](F)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571117190 952480305 /nfs/dbraw/zinc/48/03/05/952480305.db2.gz IDLYVNSQKLLSKJ-ZDUSSCGKSA-N -1 3 375.408 0.863 20 0 GCADHM CC(C)[C@H](F)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571117190 952480312 /nfs/dbraw/zinc/48/03/12/952480312.db2.gz IDLYVNSQKLLSKJ-ZDUSSCGKSA-N -1 3 375.408 0.863 20 0 GCADHM CO[C@@H](C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571117332 952481194 /nfs/dbraw/zinc/48/11/94/952481194.db2.gz JNPWUDWSNNFCBX-STQMWFEESA-N -1 3 375.433 0.634 20 0 GCADHM CO[C@@H](C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571117332 952481196 /nfs/dbraw/zinc/48/11/96/952481196.db2.gz JNPWUDWSNNFCBX-STQMWFEESA-N -1 3 375.433 0.634 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001571117369 952481756 /nfs/dbraw/zinc/48/17/56/952481756.db2.gz KIRZQZPGXIPVHC-QGZVFWFLSA-N -1 3 375.454 0.837 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001571117369 952481762 /nfs/dbraw/zinc/48/17/62/952481762.db2.gz KIRZQZPGXIPVHC-QGZVFWFLSA-N -1 3 375.454 0.837 20 0 GCADHM CC(C)(CNC(=O)NCc1ccc(-c2nnn[n-]2)cn1)C1(O)CCOCC1 ZINC001571117707 952483386 /nfs/dbraw/zinc/48/33/86/952483386.db2.gz OORXKZATBFFAHJ-UHFFFAOYSA-N -1 3 375.433 0.629 20 0 GCADHM CC(C)(CNC(=O)NCc1ccc(-c2nn[n-]n2)cn1)C1(O)CCOCC1 ZINC001571117707 952483388 /nfs/dbraw/zinc/48/33/88/952483388.db2.gz OORXKZATBFFAHJ-UHFFFAOYSA-N -1 3 375.433 0.629 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571117580 952483623 /nfs/dbraw/zinc/48/36/23/952483623.db2.gz NGSPDELXGLKDOA-ZLKJLUDKSA-N -1 3 375.408 0.862 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571117580 952483632 /nfs/dbraw/zinc/48/36/32/952483632.db2.gz NGSPDELXGLKDOA-ZLKJLUDKSA-N -1 3 375.408 0.862 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571117755 952484022 /nfs/dbraw/zinc/48/40/22/952484022.db2.gz QEVLTTFCHSEKHS-WCQGTBRESA-N -1 3 375.458 0.130 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571117754 952484044 /nfs/dbraw/zinc/48/40/44/952484044.db2.gz QEVLTTFCHSEKHS-JLLWLGSASA-N -1 3 375.458 0.130 20 0 GCADHM C[C@@]1(NC(=O)[C@@H]2CCCOC2)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571117751 952484754 /nfs/dbraw/zinc/48/47/54/952484754.db2.gz QCQROEFXUIXOMT-PIGZYNQJSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@]1(NC(=O)[C@@H]2CCCOC2)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571117751 952484757 /nfs/dbraw/zinc/48/47/57/952484757.db2.gz QCQROEFXUIXOMT-PIGZYNQJSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575197571 952484759 /nfs/dbraw/zinc/48/47/59/952484759.db2.gz WYRLACUHSFAPRV-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575197571 952484763 /nfs/dbraw/zinc/48/47/63/952484763.db2.gz WYRLACUHSFAPRV-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575197593 952485649 /nfs/dbraw/zinc/48/56/49/952485649.db2.gz XIORBDWMXBVCIG-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575197593 952485652 /nfs/dbraw/zinc/48/56/52/952485652.db2.gz XIORBDWMXBVCIG-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM Nc1nnc([C@@H]2CCCN(CC(=O)Nc3sccc3-c3nnn[n-]3)C2)o1 ZINC001571118322 952486936 /nfs/dbraw/zinc/48/69/36/952486936.db2.gz VLMFZGOFIXWTPA-MRVPVSSYSA-N -1 3 375.418 0.712 20 0 GCADHM Nc1nnc([C@@H]2CCCN(CC(=O)Nc3sccc3-c3nn[n-]n3)C2)o1 ZINC001571118322 952486939 /nfs/dbraw/zinc/48/69/39/952486939.db2.gz VLMFZGOFIXWTPA-MRVPVSSYSA-N -1 3 375.418 0.712 20 0 GCADHM CC(C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575199285 952488228 /nfs/dbraw/zinc/48/82/28/952488228.db2.gz BKFZOYVNDKCVFO-RISCZKNCSA-N -1 3 384.448 0.811 20 0 GCADHM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001571118588 952488264 /nfs/dbraw/zinc/48/82/64/952488264.db2.gz XJOBTNFMVGGNDR-IMJCEVDSSA-N -1 3 375.408 0.503 20 0 GCADHM CCC[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001571118588 952488269 /nfs/dbraw/zinc/48/82/69/952488269.db2.gz XJOBTNFMVGGNDR-IMJCEVDSSA-N -1 3 375.408 0.503 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575199754 952491329 /nfs/dbraw/zinc/49/13/29/952491329.db2.gz FEZQUQNLXNLGKV-IJLUTSLNSA-N -1 3 382.432 0.565 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1csc(=O)[nH]1 ZINC001571119769 952493663 /nfs/dbraw/zinc/49/36/63/952493663.db2.gz DNUOMFZBERBWSD-MRVPVSSYSA-N -1 3 376.377 0.572 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200240 952493696 /nfs/dbraw/zinc/49/36/96/952493696.db2.gz BFBYJRRNZUUNTG-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM O=C(N[C@@H](CO)[C@@H](O)c1ccccn1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571119621 952494040 /nfs/dbraw/zinc/49/40/40/952494040.db2.gz DKCWLAYXEWUQLD-AAEUAGOBSA-N -1 3 375.776 0.134 20 0 GCADHM O=C(N[C@@H](CO)[C@@H](O)c1ccccn1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571119621 952494046 /nfs/dbraw/zinc/49/40/46/952494046.db2.gz DKCWLAYXEWUQLD-AAEUAGOBSA-N -1 3 375.776 0.134 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001571119820 952495820 /nfs/dbraw/zinc/49/58/20/952495820.db2.gz GGVSQEREWYREKR-QWHCGFSZSA-N -1 3 376.417 0.720 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001571119820 952495826 /nfs/dbraw/zinc/49/58/26/952495826.db2.gz GGVSQEREWYREKR-QWHCGFSZSA-N -1 3 376.417 0.720 20 0 GCADHM COc1ccc(OS(=O)(=O)N=[S@](C)(=O)N(C)C)cc1-c1nnn[n-]1 ZINC001571120175 952501026 /nfs/dbraw/zinc/50/10/26/952501026.db2.gz KMLWZOHOKQYQOY-QHCPKHFHSA-N -1 3 376.420 0.073 20 0 GCADHM COc1ccc(OS(=O)(=O)N=[S@](C)(=O)N(C)C)cc1-c1nn[n-]n1 ZINC001571120175 952501029 /nfs/dbraw/zinc/50/10/29/952501029.db2.gz KMLWZOHOKQYQOY-QHCPKHFHSA-N -1 3 376.420 0.073 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575201882 952508991 /nfs/dbraw/zinc/50/89/91/952508991.db2.gz RWUVTBJPHMQPNT-WCQYABFASA-N -1 3 384.448 0.811 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575201882 952508994 /nfs/dbraw/zinc/50/89/94/952508994.db2.gz RWUVTBJPHMQPNT-WCQYABFASA-N -1 3 384.448 0.811 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575202289 952511089 /nfs/dbraw/zinc/51/10/89/952511089.db2.gz VCPFYKSMJHCRDO-RYUDHWBXSA-N -1 3 382.432 0.201 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575202289 952511094 /nfs/dbraw/zinc/51/10/94/952511094.db2.gz VCPFYKSMJHCRDO-RYUDHWBXSA-N -1 3 382.432 0.201 20 0 GCADHM CSc1nn(C)c(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)c1C(N)=O ZINC001571120974 952512897 /nfs/dbraw/zinc/51/28/97/952512897.db2.gz SRWYRVUBPQBENX-UHFFFAOYSA-N -1 3 376.377 0.812 20 0 GCADHM CSc1nn(C)c(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)c1C(N)=O ZINC001571120974 952512904 /nfs/dbraw/zinc/51/29/04/952512904.db2.gz SRWYRVUBPQBENX-UHFFFAOYSA-N -1 3 376.377 0.812 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575202346 952513376 /nfs/dbraw/zinc/51/33/76/952513376.db2.gz VSGZTVDLXYOEHG-PIGZYNQJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575202346 952513380 /nfs/dbraw/zinc/51/33/80/952513380.db2.gz VSGZTVDLXYOEHG-PIGZYNQJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575202342 952513756 /nfs/dbraw/zinc/51/37/56/952513756.db2.gz VSGZTVDLXYOEHG-DIFFPNOSSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@]1(C)CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575202342 952513761 /nfs/dbraw/zinc/51/37/61/952513761.db2.gz VSGZTVDLXYOEHG-DIFFPNOSSA-N -1 3 382.432 0.344 20 0 GCADHM Cc1cc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc(-c2nnn[n-]2)c1 ZINC001571121054 952514247 /nfs/dbraw/zinc/51/42/47/952514247.db2.gz VPIHFXLLZFWKEQ-UHFFFAOYSA-N -1 3 376.402 0.048 20 0 GCADHM Cc1cc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc(-c2nn[n-]n2)c1 ZINC001571121054 952514256 /nfs/dbraw/zinc/51/42/56/952514256.db2.gz VPIHFXLLZFWKEQ-UHFFFAOYSA-N -1 3 376.402 0.048 20 0 GCADHM CCOC(=O)C1([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)[nH]c2C)CCOCC1 ZINC001571121166 952516195 /nfs/dbraw/zinc/51/61/95/952516195.db2.gz XBBCGESQPFBDEJ-LLVKDONJSA-N -1 3 376.417 0.981 20 0 GCADHM CCOC(=O)C1([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CCOCC1 ZINC001571121166 952516200 /nfs/dbraw/zinc/51/62/00/952516200.db2.gz XBBCGESQPFBDEJ-LLVKDONJSA-N -1 3 376.417 0.981 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1nccnc1-c1nnn[n-]1 ZINC001575203079 952518606 /nfs/dbraw/zinc/51/86/06/952518606.db2.gz ZNYSCWGVCSAVHH-WCQYABFASA-N -1 3 384.448 0.811 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1nccnc1-c1nn[n-]n1 ZINC001575203079 952518608 /nfs/dbraw/zinc/51/86/08/952518608.db2.gz ZNYSCWGVCSAVHH-WCQYABFASA-N -1 3 384.448 0.811 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NCCN(c1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001575203123 952518822 /nfs/dbraw/zinc/51/88/22/952518822.db2.gz ZZDMDSZLXRIQEE-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NCCN(c1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575203123 952518826 /nfs/dbraw/zinc/51/88/26/952518826.db2.gz ZZDMDSZLXRIQEE-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)CC1 ZINC001571121599 952521119 /nfs/dbraw/zinc/52/11/19/952521119.db2.gz AKWSPKPZWVZQBO-UONOGXRCSA-N -1 3 376.442 0.074 20 0 GCADHM CN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)CC1 ZINC001571121599 952521124 /nfs/dbraw/zinc/52/11/24/952521124.db2.gz AKWSPKPZWVZQBO-UONOGXRCSA-N -1 3 376.442 0.074 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001575203359 952521386 /nfs/dbraw/zinc/52/13/86/952521386.db2.gz UWUUETAOMVCAHJ-LBPRGKRZSA-N -1 3 382.432 0.297 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001575203359 952521391 /nfs/dbraw/zinc/52/13/91/952521391.db2.gz UWUUETAOMVCAHJ-LBPRGKRZSA-N -1 3 382.432 0.297 20 0 GCADHM Cn1ncnc1C1(O)CN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001571121874 952521563 /nfs/dbraw/zinc/52/15/63/952521563.db2.gz DDDDPJKJPCFNHO-UHFFFAOYSA-N -1 3 377.206 0.466 20 0 GCADHM Cn1ncnc1C1(O)CN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001571121874 952521565 /nfs/dbraw/zinc/52/15/65/952521565.db2.gz DDDDPJKJPCFNHO-UHFFFAOYSA-N -1 3 377.206 0.466 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1 ZINC001575203479 952522326 /nfs/dbraw/zinc/52/23/26/952522326.db2.gz YDCGELGCQVOVSU-ZWNOBZJWSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1 ZINC001575203479 952522328 /nfs/dbraw/zinc/52/23/28/952522328.db2.gz YDCGELGCQVOVSU-ZWNOBZJWSA-N -1 3 382.432 0.565 20 0 GCADHM Cc1nsc(NC[C@H]2CCCN2C(=O)[C@H]2C[C@H]2C(N)=O)c1-c1nnn[n-]1 ZINC001571123110 952528399 /nfs/dbraw/zinc/52/83/99/952528399.db2.gz OZUOTJAUDYUXRD-BBBLOLIVSA-N -1 3 376.446 0.156 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575206480 952529854 /nfs/dbraw/zinc/52/98/54/952529854.db2.gz JRGOKMJODFNOJY-MNOVXSKESA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575206480 952529856 /nfs/dbraw/zinc/52/98/56/952529856.db2.gz JRGOKMJODFNOJY-MNOVXSKESA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575206603 952530439 /nfs/dbraw/zinc/53/04/39/952530439.db2.gz KJINUDWIKNOJOO-BNOWGMLFSA-N -1 3 381.444 0.933 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575206603 952530442 /nfs/dbraw/zinc/53/04/42/952530442.db2.gz KJINUDWIKNOJOO-BNOWGMLFSA-N -1 3 381.444 0.933 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)c1cccs1 ZINC001571123998 952531953 /nfs/dbraw/zinc/53/19/53/952531953.db2.gz WXDZZJZTURATNO-MNOVXSKESA-N -1 3 376.467 0.965 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O)c1cccs1 ZINC001571123998 952531959 /nfs/dbraw/zinc/53/19/59/952531959.db2.gz WXDZZJZTURATNO-MNOVXSKESA-N -1 3 376.467 0.965 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001575207463 952533356 /nfs/dbraw/zinc/53/33/56/952533356.db2.gz QHDBQYDYRURYOA-GHMZBOCLSA-N -1 3 387.423 0.930 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001575207463 952533361 /nfs/dbraw/zinc/53/33/61/952533361.db2.gz QHDBQYDYRURYOA-GHMZBOCLSA-N -1 3 387.423 0.930 20 0 GCADHM COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1cc(F)c(-c2nnn[n-]2)c(F)c1 ZINC001571124037 952533373 /nfs/dbraw/zinc/53/33/73/952533373.db2.gz XVMGGNWWHACENP-LLVKDONJSA-N -1 3 377.311 0.382 20 0 GCADHM COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)c1cc(F)c(-c2nn[n-]n2)c(F)c1 ZINC001571124037 952533379 /nfs/dbraw/zinc/53/33/79/952533379.db2.gz XVMGGNWWHACENP-LLVKDONJSA-N -1 3 377.311 0.382 20 0 GCADHM Cc1nsc(N[C@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)c1-c1nnn[n-]1 ZINC001571124125 952533894 /nfs/dbraw/zinc/53/38/94/952533894.db2.gz ZIMYDOOOTPBWQV-UWVGGRQHSA-N -1 3 376.446 0.171 20 0 GCADHM Cc1nsc(N[C@H]2C[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571124068 952534001 /nfs/dbraw/zinc/53/40/01/952534001.db2.gz YCWADTKYCRWZIJ-BBBLOLIVSA-N -1 3 376.446 0.359 20 0 GCADHM O=S(=O)(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001571124556 952541779 /nfs/dbraw/zinc/54/17/79/952541779.db2.gz MSVSZWVANTVZRE-AWEZNQCLSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(NC[C@@H](O)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001571124556 952541782 /nfs/dbraw/zinc/54/17/82/952541782.db2.gz MSVSZWVANTVZRE-AWEZNQCLSA-N -1 3 377.401 0.888 20 0 GCADHM CC(F)(F)C(=O)NCCN1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001575210990 952542305 /nfs/dbraw/zinc/54/23/05/952542305.db2.gz LUAAUHJFZCSMLO-UHFFFAOYSA-N -1 3 385.444 0.817 20 0 GCADHM CC(F)(F)C(=O)NCCN1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001575210990 952542312 /nfs/dbraw/zinc/54/23/12/952542312.db2.gz LUAAUHJFZCSMLO-UHFFFAOYSA-N -1 3 385.444 0.817 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)c3n[nH]cc3F)[C@H]2C)c1-c1nnn[n-]1 ZINC001571124667 952542888 /nfs/dbraw/zinc/54/28/88/952542888.db2.gz QTHQQMKJGPEJBG-APPZFPTMSA-N -1 3 377.409 0.891 20 0 GCADHM COC(=O)CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1OC)C(=O)OC ZINC001571124779 952543759 /nfs/dbraw/zinc/54/37/59/952543759.db2.gz UGIZVZJCCUJVPS-LLVKDONJSA-N -1 3 377.357 0.100 20 0 GCADHM COC(=O)CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1OC)C(=O)OC ZINC001571124779 952543765 /nfs/dbraw/zinc/54/37/65/952543765.db2.gz UGIZVZJCCUJVPS-LLVKDONJSA-N -1 3 377.357 0.100 20 0 GCADHM O=C(c1cnccn1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571127140 952550557 /nfs/dbraw/zinc/55/05/57/952550557.db2.gz HDCDJUAERUCLSU-KGLIPLIRSA-N -1 3 377.412 0.650 20 0 GCADHM O=C(c1cnccn1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571127140 952550558 /nfs/dbraw/zinc/55/05/58/952550558.db2.gz HDCDJUAERUCLSU-KGLIPLIRSA-N -1 3 377.412 0.650 20 0 GCADHM CC(F)(F)C(=O)N1CCN(C2CN(Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001575212531 952553602 /nfs/dbraw/zinc/55/36/02/952553602.db2.gz IIKDCSPIEWLTKB-UHFFFAOYSA-N -1 3 391.426 0.850 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1CC12CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CC2 ZINC001575213362 952558112 /nfs/dbraw/zinc/55/81/12/952558112.db2.gz SVMYNUGYHFJZPM-LLVKDONJSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1CC12CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2 ZINC001575213362 952558115 /nfs/dbraw/zinc/55/81/15/952558115.db2.gz SVMYNUGYHFJZPM-LLVKDONJSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(c1ccncn1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571127674 952559658 /nfs/dbraw/zinc/55/96/58/952559658.db2.gz LQKAGCFGOCANDN-HZPDHXFCSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ccncn1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571127674 952559664 /nfs/dbraw/zinc/55/96/64/952559664.db2.gz LQKAGCFGOCANDN-HZPDHXFCSA-N -1 3 377.412 0.935 20 0 GCADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncnc2)C3)ccc1-c1nnn[n-]1 ZINC001571127773 952559809 /nfs/dbraw/zinc/55/98/09/952559809.db2.gz MVVZPFSPGYHNGZ-YUELXQCFSA-N -1 3 377.412 0.900 20 0 GCADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cncnc2)C3)ccc1-c1nn[n-]n1 ZINC001571127773 952559815 /nfs/dbraw/zinc/55/98/15/952559815.db2.gz MVVZPFSPGYHNGZ-YUELXQCFSA-N -1 3 377.412 0.900 20 0 GCADHM Cc1cc(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ncc1-c1nnn[n-]1 ZINC001571127888 952560972 /nfs/dbraw/zinc/56/09/72/952560972.db2.gz LVKRPPBXOVBGOG-GFCCVEGCSA-N -1 3 377.474 0.868 20 0 GCADHM Cc1cc(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ncc1-c1nn[n-]n1 ZINC001571127888 952560975 /nfs/dbraw/zinc/56/09/75/952560975.db2.gz LVKRPPBXOVBGOG-GFCCVEGCSA-N -1 3 377.474 0.868 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575214144 952562469 /nfs/dbraw/zinc/56/24/69/952562469.db2.gz JMIIWJQGVSMSGJ-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575214144 952562471 /nfs/dbraw/zinc/56/24/71/952562471.db2.gz JMIIWJQGVSMSGJ-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM CC[C@@H](F)CN1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nnn[n-]3)c1)O2 ZINC001571128139 952563313 /nfs/dbraw/zinc/56/33/13/952563313.db2.gz OYCGNUOGSZCQRC-CHWSQXEVSA-N -1 3 377.424 0.906 20 0 GCADHM CC[C@@H](F)CN1CC2(C1)CC[C@H](CNC(=O)c1c[nH]c(-c3nn[n-]n3)c1)O2 ZINC001571128139 952563318 /nfs/dbraw/zinc/56/33/18/952563318.db2.gz OYCGNUOGSZCQRC-CHWSQXEVSA-N -1 3 377.424 0.906 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)s1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001571128127 952564043 /nfs/dbraw/zinc/56/40/43/952564043.db2.gz QHUNOHJFGDNGFE-CHWSQXEVSA-N -1 3 377.474 0.669 20 0 GCADHM Cc1ncncc1C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571128211 952564743 /nfs/dbraw/zinc/56/47/43/952564743.db2.gz QZKOWCFJEVMEKA-DZGCQCFKSA-N -1 3 377.412 0.711 20 0 GCADHM Cc1ncncc1C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571128211 952564745 /nfs/dbraw/zinc/56/47/45/952564745.db2.gz QZKOWCFJEVMEKA-DZGCQCFKSA-N -1 3 377.412 0.711 20 0 GCADHM O=C(c1cccnn1)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571128195 952564962 /nfs/dbraw/zinc/56/49/62/952564962.db2.gz QHBDWBLNTXVVDN-HUUCEWRRSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1cccnn1)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571128195 952564964 /nfs/dbraw/zinc/56/49/64/952564964.db2.gz QHBDWBLNTXVVDN-HUUCEWRRSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ncccn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571128462 952567392 /nfs/dbraw/zinc/56/73/92/952567392.db2.gz TVMOOUCGYKUXHK-OKILXGFUSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ncccn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571128462 952567394 /nfs/dbraw/zinc/56/73/94/952567394.db2.gz TVMOOUCGYKUXHK-OKILXGFUSA-N -1 3 377.412 0.935 20 0 GCADHM CC(C)(CNC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1)NS(C)(=O)=O ZINC001571128509 952568644 /nfs/dbraw/zinc/56/86/44/952568644.db2.gz VIFFQPLSWBWDAA-UHFFFAOYSA-N -1 3 377.430 0.406 20 0 GCADHM CC(C)(CNC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1)NS(C)(=O)=O ZINC001571128509 952568648 /nfs/dbraw/zinc/56/86/48/952568648.db2.gz VIFFQPLSWBWDAA-UHFFFAOYSA-N -1 3 377.430 0.406 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001575215539 952568736 /nfs/dbraw/zinc/56/87/36/952568736.db2.gz VMEXBFRXABIBSI-MNOVXSKESA-N -1 3 381.387 0.609 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001575215539 952568740 /nfs/dbraw/zinc/56/87/40/952568740.db2.gz VMEXBFRXABIBSI-MNOVXSKESA-N -1 3 381.387 0.609 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl)[S@@](C)=O ZINC001571129314 952574067 /nfs/dbraw/zinc/57/40/67/952574067.db2.gz CIWXXQWFTJMJKF-QSIZCVBASA-N -1 3 377.879 0.956 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl)[S@@](C)=O ZINC001571129314 952574070 /nfs/dbraw/zinc/57/40/70/952574070.db2.gz CIWXXQWFTJMJKF-QSIZCVBASA-N -1 3 377.879 0.956 20 0 GCADHM COC(=O)[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001571129466 952574132 /nfs/dbraw/zinc/57/41/32/952574132.db2.gz DGZRWWDNYNFHIP-SKDRFNHKSA-N -1 3 378.364 0.953 20 0 GCADHM COC(=O)[C@@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC001571129466 952574134 /nfs/dbraw/zinc/57/41/34/952574134.db2.gz DGZRWWDNYNFHIP-SKDRFNHKSA-N -1 3 378.364 0.953 20 0 GCADHM COC(=O)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCOC1 ZINC001571129250 952574419 /nfs/dbraw/zinc/57/44/19/952574419.db2.gz BUKMHADJYVRLKL-CABZTGNLSA-N -1 3 378.364 0.953 20 0 GCADHM COC(=O)[C@@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCOC1 ZINC001571129250 952574429 /nfs/dbraw/zinc/57/44/29/952574429.db2.gz BUKMHADJYVRLKL-CABZTGNLSA-N -1 3 378.364 0.953 20 0 GCADHM COCC[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571135989 952611153 /nfs/dbraw/zinc/61/11/53/952611153.db2.gz JYCCIBGTZHKGTN-GFCCVEGCSA-N -1 3 378.414 0.781 20 0 GCADHM COCC[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571135989 952611155 /nfs/dbraw/zinc/61/11/55/952611155.db2.gz JYCCIBGTZHKGTN-GFCCVEGCSA-N -1 3 378.414 0.781 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC2(C1)CCN(C(=O)c1cccnc1)C2 ZINC001571136828 952617446 /nfs/dbraw/zinc/61/74/46/952617446.db2.gz XHFKEHSDNJBYSH-UHFFFAOYSA-N -1 3 378.396 0.578 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC2(C1)CCN(C(=O)c1cccnc1)C2 ZINC001571136828 952617449 /nfs/dbraw/zinc/61/74/49/952617449.db2.gz XHFKEHSDNJBYSH-UHFFFAOYSA-N -1 3 378.396 0.578 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@@H]2CCN(C(=O)c3ccncc3)[C@@H]2C1 ZINC001571136975 952617476 /nfs/dbraw/zinc/61/74/76/952617476.db2.gz YTUAZVBEEDKTDX-SWLSCSKDSA-N -1 3 378.396 0.577 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@@H]2CCN(C(=O)c3ccncc3)[C@@H]2C1 ZINC001571136975 952617479 /nfs/dbraw/zinc/61/74/79/952617479.db2.gz YTUAZVBEEDKTDX-SWLSCSKDSA-N -1 3 378.396 0.577 20 0 GCADHM O=C(c1cccc(=O)[nH]1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001571136969 952617535 /nfs/dbraw/zinc/61/75/35/952617535.db2.gz YLJJRSJQKWEPFK-BETUJISGSA-N -1 3 378.396 0.856 20 0 GCADHM O=C(c1cccc(=O)[nH]1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001571136969 952617538 /nfs/dbraw/zinc/61/75/38/952617538.db2.gz YLJJRSJQKWEPFK-BETUJISGSA-N -1 3 378.396 0.856 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571139094 952618936 /nfs/dbraw/zinc/61/89/36/952618936.db2.gz BWWWVYGTQMTFKW-BDJLRTHQSA-N -1 3 379.371 0.567 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571139094 952618943 /nfs/dbraw/zinc/61/89/43/952618943.db2.gz BWWWVYGTQMTFKW-BDJLRTHQSA-N -1 3 379.371 0.567 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)[C@@H]1CCC(F)(F)C1 ZINC001571139280 952619062 /nfs/dbraw/zinc/61/90/62/952619062.db2.gz FBMHPKXWRSPBRM-JLLWLGSASA-N -1 3 379.371 0.363 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)[C@@H]1CCC(F)(F)C1 ZINC001571139280 952619065 /nfs/dbraw/zinc/61/90/65/952619065.db2.gz FBMHPKXWRSPBRM-JLLWLGSASA-N -1 3 379.371 0.363 20 0 GCADHM C[C@]12CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@]1(C)CN(C(=O)C(F)F)C2 ZINC001571139390 952619967 /nfs/dbraw/zinc/61/99/67/952619967.db2.gz GZBIWKSHOMNCCZ-IYBDPMFKSA-N -1 3 379.371 0.771 20 0 GCADHM C[C@]12CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@]1(C)CN(C(=O)C(F)F)C2 ZINC001571139390 952619969 /nfs/dbraw/zinc/61/99/69/952619969.db2.gz GZBIWKSHOMNCCZ-IYBDPMFKSA-N -1 3 379.371 0.771 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC(F)(F)C1 ZINC001571139651 952620905 /nfs/dbraw/zinc/62/09/05/952620905.db2.gz KHDGSXMGDXVECA-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC(F)(F)C1 ZINC001571139651 952620908 /nfs/dbraw/zinc/62/09/08/952620908.db2.gz KHDGSXMGDXVECA-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2(C(F)F)CCC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571139594 952621208 /nfs/dbraw/zinc/62/12/08/952621208.db2.gz JKGLUKWTCPHOBU-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2(C(F)F)CCC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571139594 952621212 /nfs/dbraw/zinc/62/12/12/952621212.db2.gz JKGLUKWTCPHOBU-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)c1 ZINC001571140353 952624510 /nfs/dbraw/zinc/62/45/10/952624510.db2.gz BRVLVMAVXBDCKD-DOTOQJQBSA-N -1 3 379.424 0.940 20 0 GCADHM Cc1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)c1 ZINC001571140353 952624513 /nfs/dbraw/zinc/62/45/13/952624513.db2.gz BRVLVMAVXBDCKD-DOTOQJQBSA-N -1 3 379.424 0.940 20 0 GCADHM O=C(N[C@H]1COC2(CN(Cc3ccccc3)C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571140609 952627893 /nfs/dbraw/zinc/62/78/93/952627893.db2.gz DBVYGDNMBWXNEM-OAHLLOKOSA-N -1 3 379.424 0.968 20 0 GCADHM O=C(N[C@H]1COC2(CN(Cc3ccccc3)C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571140609 952627896 /nfs/dbraw/zinc/62/78/96/952627896.db2.gz DBVYGDNMBWXNEM-OAHLLOKOSA-N -1 3 379.424 0.968 20 0 GCADHM O=C(NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CC1(F)F ZINC001571140864 952629729 /nfs/dbraw/zinc/62/97/29/952629729.db2.gz UTIHRJNNNIIUSP-ZJUUUORDSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CC1(F)F ZINC001571140864 952629732 /nfs/dbraw/zinc/62/97/32/952629732.db2.gz UTIHRJNNNIIUSP-ZJUUUORDSA-N -1 3 379.371 0.961 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)C[C@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001571141709 952636279 /nfs/dbraw/zinc/63/62/79/952636279.db2.gz ZWRYPRLYTIEFMY-JSGCOSHPSA-N -1 3 379.417 0.116 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)C[C@H](O)COc1ccccc1-c1nn[n-]n1 ZINC001571141709 952636281 /nfs/dbraw/zinc/63/62/81/952636281.db2.gz ZWRYPRLYTIEFMY-JSGCOSHPSA-N -1 3 379.417 0.116 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnnc1 ZINC001571141697 952636367 /nfs/dbraw/zinc/63/63/67/952636367.db2.gz ZHIDESCWQRUAML-BZPMIXESSA-N -1 3 379.384 0.160 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnnc1 ZINC001571141697 952636371 /nfs/dbraw/zinc/63/63/71/952636371.db2.gz ZHIDESCWQRUAML-BZPMIXESSA-N -1 3 379.384 0.160 20 0 GCADHM C[C@]1(C(N)=O)CCN(C(=O)c2cccc(-c3nnn[n-]3)c2Br)C1 ZINC001571142742 952646252 /nfs/dbraw/zinc/64/62/52/952646252.db2.gz XDZJDTSIYJWQNA-AWEZNQCLSA-N -1 3 379.218 0.967 20 0 GCADHM C[C@]1(C(N)=O)CCN(C(=O)c2cccc(-c3nn[n-]n3)c2Br)C1 ZINC001571142742 952646254 /nfs/dbraw/zinc/64/62/54/952646254.db2.gz XDZJDTSIYJWQNA-AWEZNQCLSA-N -1 3 379.218 0.967 20 0 GCADHM Cc1nc(C)c(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)[nH]1 ZINC001571146148 952647984 /nfs/dbraw/zinc/64/79/84/952647984.db2.gz DJNJCAGNLZLZHX-ZSOGYDGISA-N -1 3 379.428 0.714 20 0 GCADHM Cc1nc(C)c(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)[nH]1 ZINC001571146148 952647988 /nfs/dbraw/zinc/64/79/88/952647988.db2.gz DJNJCAGNLZLZHX-ZSOGYDGISA-N -1 3 379.428 0.714 20 0 GCADHM Cc1ncc(CN2CCC3(CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)cn1 ZINC001571146153 952648004 /nfs/dbraw/zinc/64/80/04/952648004.db2.gz DMCFYXZFBKBHTC-UHFFFAOYSA-N -1 3 379.428 0.641 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)c1n[nH]c2c1CCC2 ZINC001571146552 952649718 /nfs/dbraw/zinc/64/97/18/952649718.db2.gz IMEAROZQJZDJHB-LLVKDONJSA-N -1 3 379.428 0.872 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)c1n[nH]c2c1CCC2 ZINC001571146552 952649720 /nfs/dbraw/zinc/64/97/20/952649720.db2.gz IMEAROZQJZDJHB-LLVKDONJSA-N -1 3 379.428 0.872 20 0 GCADHM O=C(Cn1ccnc1)NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571146693 952651355 /nfs/dbraw/zinc/65/13/55/952651355.db2.gz LMIMPFCOEJDNQZ-UHFFFAOYSA-N -1 3 379.428 0.998 20 0 GCADHM O=C(Cn1ccnc1)NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571146693 952651360 /nfs/dbraw/zinc/65/13/60/952651360.db2.gz LMIMPFCOEJDNQZ-UHFFFAOYSA-N -1 3 379.428 0.998 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571146828 952653226 /nfs/dbraw/zinc/65/32/26/952653226.db2.gz NGTRNKSOCUCHJS-ZIAGYGMSSA-N -1 3 379.428 0.879 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571146828 952653229 /nfs/dbraw/zinc/65/32/29/952653229.db2.gz NGTRNKSOCUCHJS-ZIAGYGMSSA-N -1 3 379.428 0.879 20 0 GCADHM O=C(Cn1cccn1)N1CC[C@@H]2[C@@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001571147031 952656109 /nfs/dbraw/zinc/65/61/09/952656109.db2.gz QOMDGAZUQBQRJM-DZGCQCFKSA-N -1 3 379.428 0.586 20 0 GCADHM O=C(Cn1cccn1)N1CC[C@@H]2[C@@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001571147031 952656112 /nfs/dbraw/zinc/65/61/12/952656112.db2.gz QOMDGAZUQBQRJM-DZGCQCFKSA-N -1 3 379.428 0.586 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001571147175 952657486 /nfs/dbraw/zinc/65/74/86/952657486.db2.gz IDDYIEHSRGZGAE-YUELXQCFSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001571147175 952657490 /nfs/dbraw/zinc/65/74/90/952657490.db2.gz IDDYIEHSRGZGAE-YUELXQCFSA-N -1 3 379.428 0.899 20 0 GCADHM Cc1nc(N2C[C@@H]3CN(C(=O)c4cn[nH]c4)C[C@]3(C)C2)ccc1-c1nnn[n-]1 ZINC001571147474 952661390 /nfs/dbraw/zinc/66/13/90/952661390.db2.gz ZIEMWNQQXJAUIQ-ACJLOTCBSA-N -1 3 379.428 0.892 20 0 GCADHM Cc1nc(N2C[C@@H]3CN(C(=O)c4cn[nH]c4)C[C@]3(C)C2)ccc1-c1nn[n-]n1 ZINC001571147474 952661396 /nfs/dbraw/zinc/66/13/96/952661396.db2.gz ZIEMWNQQXJAUIQ-ACJLOTCBSA-N -1 3 379.428 0.892 20 0 GCADHM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC001571150493 952668852 /nfs/dbraw/zinc/66/88/52/952668852.db2.gz CBMYMBFNZXQNJI-LLVKDONJSA-N -1 3 379.446 0.257 20 0 GCADHM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC001571150493 952668854 /nfs/dbraw/zinc/66/88/54/952668854.db2.gz CBMYMBFNZXQNJI-LLVKDONJSA-N -1 3 379.446 0.257 20 0 GCADHM NS(=O)(=O)CCCC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571151021 952671431 /nfs/dbraw/zinc/67/14/31/952671431.db2.gz IVZDYSYPGQGRTJ-UHFFFAOYSA-N -1 3 379.446 0.036 20 0 GCADHM NS(=O)(=O)CCCC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571151021 952671435 /nfs/dbraw/zinc/67/14/35/952671435.db2.gz IVZDYSYPGQGRTJ-UHFFFAOYSA-N -1 3 379.446 0.036 20 0 GCADHM Cc1nsc(N[C@H]2C[C@H](CNC(=O)[C@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571151152 952673717 /nfs/dbraw/zinc/67/37/17/952673717.db2.gz MMOFVMALMMARQL-GMTAPVOTSA-N -1 3 379.446 0.354 20 0 GCADHM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001571151877 952680225 /nfs/dbraw/zinc/68/02/25/952680225.db2.gz ZZYUQQBHYANDBY-MFKMUULPSA-N -1 3 379.442 0.573 20 0 GCADHM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001571151877 952680228 /nfs/dbraw/zinc/68/02/28/952680228.db2.gz ZZYUQQBHYANDBY-MFKMUULPSA-N -1 3 379.442 0.573 20 0 GCADHM COC(=O)c1ccc(NC(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)nn1 ZINC001571152618 952683109 /nfs/dbraw/zinc/68/31/09/952683109.db2.gz HQJLFGDWXZWDBR-GFCCVEGCSA-N -1 3 380.368 0.732 20 0 GCADHM COC(=O)c1ccc(NC(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)nn1 ZINC001571152618 952683114 /nfs/dbraw/zinc/68/31/14/952683114.db2.gz HQJLFGDWXZWDBR-GFCCVEGCSA-N -1 3 380.368 0.732 20 0 GCADHM Cn1nnc(NC(=O)COc2ccc(-c3nnn[n-]3)c(Br)c2)n1 ZINC001571152652 952683119 /nfs/dbraw/zinc/68/31/19/952683119.db2.gz JGEFHDOCMYNGJZ-UHFFFAOYSA-N -1 3 380.166 0.170 20 0 GCADHM Cn1nnc(NC(=O)COc2ccc(-c3nn[n-]n3)c(Br)c2)n1 ZINC001571152652 952683123 /nfs/dbraw/zinc/68/31/23/952683123.db2.gz JGEFHDOCMYNGJZ-UHFFFAOYSA-N -1 3 380.166 0.170 20 0 GCADHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)NCc1ccc(C(N)=O)o1 ZINC001571153297 952685037 /nfs/dbraw/zinc/68/50/37/952685037.db2.gz NPCMJQGLPLOZKT-UHFFFAOYSA-N -1 3 380.361 0.485 20 0 GCADHM CN1C[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C(=O)N1 ZINC001571153587 952685834 /nfs/dbraw/zinc/68/58/34/952685834.db2.gz RHGXGEOCWLWCSS-CYBMUJFWSA-N -1 3 380.368 0.129 20 0 GCADHM CN1C[C@@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C(=O)N1 ZINC001571153587 952685838 /nfs/dbraw/zinc/68/58/38/952685838.db2.gz RHGXGEOCWLWCSS-CYBMUJFWSA-N -1 3 380.368 0.129 20 0 GCADHM CN1C[C@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C(=O)N1 ZINC001571153590 952686387 /nfs/dbraw/zinc/68/63/87/952686387.db2.gz RHGXGEOCWLWCSS-ZDUSSCGKSA-N -1 3 380.368 0.129 20 0 GCADHM CN1C[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C(=O)N1 ZINC001571153590 952686391 /nfs/dbraw/zinc/68/63/91/952686391.db2.gz RHGXGEOCWLWCSS-ZDUSSCGKSA-N -1 3 380.368 0.129 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1ccc(=O)n(C)c1 ZINC001571154867 952690165 /nfs/dbraw/zinc/69/01/65/952690165.db2.gz CTQHPMGAESGNTC-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1ccc(=O)n(C)c1 ZINC001571154867 952690170 /nfs/dbraw/zinc/69/01/70/952690170.db2.gz CTQHPMGAESGNTC-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM CCNC(=O)c1ccc(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001571154878 952690230 /nfs/dbraw/zinc/69/02/30/952690230.db2.gz CZPOSNLXIGREJZ-UHFFFAOYSA-N -1 3 380.412 0.740 20 0 GCADHM CCNC(=O)c1ccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001571154878 952690232 /nfs/dbraw/zinc/69/02/32/952690232.db2.gz CZPOSNLXIGREJZ-UHFFFAOYSA-N -1 3 380.412 0.740 20 0 GCADHM CCc1c[nH]c(=O)c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC001571154824 952690361 /nfs/dbraw/zinc/69/03/61/952690361.db2.gz BWNWKYJNNMLLGB-LBPRGKRZSA-N -1 3 380.412 0.933 20 0 GCADHM CCc1c[nH]c(=O)c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC001571154824 952690365 /nfs/dbraw/zinc/69/03/65/952690365.db2.gz BWNWKYJNNMLLGB-LBPRGKRZSA-N -1 3 380.412 0.933 20 0 GCADHM O=C(N[C@H](CO)[C@@H](O)c1ccccn1)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001571154828 952690807 /nfs/dbraw/zinc/69/08/07/952690807.db2.gz BYVNZUNLDNAENE-ABFRBSLYSA-N -1 3 380.408 0.576 20 0 GCADHM O=C(N[C@H](CO)[C@@H](O)c1ccccn1)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001571154828 952690809 /nfs/dbraw/zinc/69/08/09/952690809.db2.gz BYVNZUNLDNAENE-ABFRBSLYSA-N -1 3 380.408 0.576 20 0 GCADHM CN(C(=O)Cc1cccnc1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571154988 952691628 /nfs/dbraw/zinc/69/16/28/952691628.db2.gz DEWRIZFUQGWVCM-AWEZNQCLSA-N -1 3 380.412 0.505 20 0 GCADHM CN(C(=O)Cc1cccnc1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571154988 952691635 /nfs/dbraw/zinc/69/16/35/952691635.db2.gz DEWRIZFUQGWVCM-AWEZNQCLSA-N -1 3 380.412 0.505 20 0 GCADHM CCc1cccnc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571155197 952693669 /nfs/dbraw/zinc/69/36/69/952693669.db2.gz KOASHZUABWKZDR-CYBMUJFWSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccnc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571155197 952693674 /nfs/dbraw/zinc/69/36/74/952693674.db2.gz KOASHZUABWKZDR-CYBMUJFWSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccnc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571155193 952693985 /nfs/dbraw/zinc/69/39/85/952693985.db2.gz KGPMUKKEXLFSTI-ZIAGYGMSSA-N -1 3 380.412 0.199 20 0 GCADHM CCc1cccnc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571155193 952693989 /nfs/dbraw/zinc/69/39/89/952693989.db2.gz KGPMUKKEXLFSTI-ZIAGYGMSSA-N -1 3 380.412 0.199 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001571155252 952695052 /nfs/dbraw/zinc/69/50/52/952695052.db2.gz LWVOTOWYZDCCJS-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001571155252 952695055 /nfs/dbraw/zinc/69/50/55/952695055.db2.gz LWVOTOWYZDCCJS-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)c1cccnc1 ZINC001571155405 952697030 /nfs/dbraw/zinc/69/70/30/952697030.db2.gz QPWIESMTWYJRMC-ZSOGYDGISA-N -1 3 380.387 0.908 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)c1cccnc1 ZINC001571155405 952697032 /nfs/dbraw/zinc/69/70/32/952697032.db2.gz QPWIESMTWYJRMC-ZSOGYDGISA-N -1 3 380.387 0.908 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)ccc1=O ZINC001571155747 952700073 /nfs/dbraw/zinc/70/00/73/952700073.db2.gz YUQMRHNAIKJDRC-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001571155747 952700076 /nfs/dbraw/zinc/70/00/76/952700076.db2.gz YUQMRHNAIKJDRC-SMDDNHRTSA-N -1 3 380.412 0.676 20 0 GCADHM CCc1ccnc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)c1 ZINC001571155740 952700211 /nfs/dbraw/zinc/70/02/11/952700211.db2.gz YRBVHJBGYJMMTH-HUUCEWRRSA-N -1 3 380.412 0.199 20 0 GCADHM CCc1ccnc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c1 ZINC001571155740 952700216 /nfs/dbraw/zinc/70/02/16/952700216.db2.gz YRBVHJBGYJMMTH-HUUCEWRRSA-N -1 3 380.412 0.199 20 0 GCADHM Cc1ccnn1CC(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571156045 952700695 /nfs/dbraw/zinc/70/06/95/952700695.db2.gz BPWQESAKXUXRIK-OKILXGFUSA-N -1 3 379.428 0.361 20 0 GCADHM Cc1ccnn1CC(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571156045 952700698 /nfs/dbraw/zinc/70/06/98/952700698.db2.gz BPWQESAKXUXRIK-OKILXGFUSA-N -1 3 379.428 0.361 20 0 GCADHM Cc1cnc(CN2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)cn1 ZINC001571156839 952706381 /nfs/dbraw/zinc/70/63/81/952706381.db2.gz KZQATHKCWMWKNT-BLLLJJGKSA-N -1 3 379.428 0.640 20 0 GCADHM Cc1cnc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001571158038 952708878 /nfs/dbraw/zinc/70/88/78/952708878.db2.gz QBQONVISFGIVEZ-OKILXGFUSA-N -1 3 379.428 0.782 20 0 GCADHM Cc1cnc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001571158038 952708881 /nfs/dbraw/zinc/70/88/81/952708881.db2.gz QBQONVISFGIVEZ-OKILXGFUSA-N -1 3 379.428 0.782 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)n1 ZINC001571158340 952711451 /nfs/dbraw/zinc/71/14/51/952711451.db2.gz HTBYXHVNFWEFJZ-GFCCVEGCSA-N -1 3 380.412 0.851 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)n1 ZINC001571158340 952711457 /nfs/dbraw/zinc/71/14/57/952711457.db2.gz HTBYXHVNFWEFJZ-GFCCVEGCSA-N -1 3 380.412 0.851 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)cn2)n(C)n1 ZINC001571158874 952714336 /nfs/dbraw/zinc/71/43/36/952714336.db2.gz SWJWEQHQAPEQRK-OKILXGFUSA-N -1 3 379.428 0.797 20 0 GCADHM Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)cn2)n(C)n1 ZINC001571158874 952714341 /nfs/dbraw/zinc/71/43/41/952714341.db2.gz SWJWEQHQAPEQRK-OKILXGFUSA-N -1 3 379.428 0.797 20 0 GCADHM Cc1cccnc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001571158732 952714597 /nfs/dbraw/zinc/71/45/97/952714597.db2.gz NOJOMFDJLATSGS-AAEUAGOBSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001571158732 952714600 /nfs/dbraw/zinc/71/46/00/952714600.db2.gz NOJOMFDJLATSGS-AAEUAGOBSA-N -1 3 380.412 0.931 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H](NC(=O)c2cnccn2)C1 ZINC001571158954 952715869 /nfs/dbraw/zinc/71/58/69/952715869.db2.gz OALFJHFDIBKAPP-CQSZACIVSA-N -1 3 380.412 0.670 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H](NC(=O)c3cccc(=O)n3C)C2)n1 ZINC001571158981 952715956 /nfs/dbraw/zinc/71/59/56/952715956.db2.gz OPNZUMYAIBOAAD-TXEJJXNPSA-N -1 3 380.412 0.642 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H](NC(=O)c3cccc(=O)n3C)C2)n1 ZINC001571158981 952715958 /nfs/dbraw/zinc/71/59/58/952715958.db2.gz OPNZUMYAIBOAAD-TXEJJXNPSA-N -1 3 380.412 0.642 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)c[nH]1 ZINC001571158975 952716270 /nfs/dbraw/zinc/71/62/70/952716270.db2.gz OJULONXQHGRMLC-GFCCVEGCSA-N -1 3 380.412 0.657 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)c[nH]1 ZINC001571158975 952716280 /nfs/dbraw/zinc/71/62/80/952716280.db2.gz OJULONXQHGRMLC-GFCCVEGCSA-N -1 3 380.412 0.657 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)cn1C ZINC001571159325 952718007 /nfs/dbraw/zinc/71/80/07/952718007.db2.gz UPEXOFFRPFNDOX-GFCCVEGCSA-N -1 3 380.412 0.595 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)cn1C ZINC001571159325 952718009 /nfs/dbraw/zinc/71/80/09/952718009.db2.gz UPEXOFFRPFNDOX-GFCCVEGCSA-N -1 3 380.412 0.595 20 0 GCADHM CO[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ccc(C)nc1 ZINC001571159348 952718300 /nfs/dbraw/zinc/71/83/00/952718300.db2.gz UYOURPWNLOAGGH-HUUCEWRRSA-N -1 3 380.412 0.599 20 0 GCADHM CO[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ccc(C)nc1 ZINC001571159348 952718307 /nfs/dbraw/zinc/71/83/07/952718307.db2.gz UYOURPWNLOAGGH-HUUCEWRRSA-N -1 3 380.412 0.599 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)nc1C ZINC001571159342 952718391 /nfs/dbraw/zinc/71/83/91/952718391.db2.gz UVMQSIQWPIMVLE-HUUCEWRRSA-N -1 3 380.412 0.253 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)nc1C ZINC001571159342 952718395 /nfs/dbraw/zinc/71/83/95/952718395.db2.gz UVMQSIQWPIMVLE-HUUCEWRRSA-N -1 3 380.412 0.253 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)C2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)ccn1 ZINC001571159467 952719890 /nfs/dbraw/zinc/71/98/90/952719890.db2.gz VNFFZWLOWDIMAD-NSHDSACASA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)C2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)ccn1 ZINC001571159467 952719901 /nfs/dbraw/zinc/71/99/01/952719901.db2.gz VNFFZWLOWDIMAD-NSHDSACASA-N -1 3 380.412 0.789 20 0 GCADHM Cc1cn(C)nc1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571159691 952720747 /nfs/dbraw/zinc/72/07/47/952720747.db2.gz VSOBGWVXVBMSKU-ZSOGYDGISA-N -1 3 379.428 0.416 20 0 GCADHM Cc1cn(C)nc1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571159691 952720750 /nfs/dbraw/zinc/72/07/50/952720750.db2.gz VSOBGWVXVBMSKU-ZSOGYDGISA-N -1 3 379.428 0.416 20 0 GCADHM Cc1ccncc1C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571160028 952722828 /nfs/dbraw/zinc/72/28/28/952722828.db2.gz BELZCPYLEDZUCA-LBPRGKRZSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1ccncc1C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571160028 952722832 /nfs/dbraw/zinc/72/28/32/952722832.db2.gz BELZCPYLEDZUCA-LBPRGKRZSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1ccn(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(=O)c1 ZINC001571160363 952726210 /nfs/dbraw/zinc/72/62/10/952726210.db2.gz HROMJITXPHQDPT-CQSZACIVSA-N -1 3 380.412 0.445 20 0 GCADHM Cc1ccn(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c(=O)c1 ZINC001571160363 952726212 /nfs/dbraw/zinc/72/62/12/952726212.db2.gz HROMJITXPHQDPT-CQSZACIVSA-N -1 3 380.412 0.445 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571160666 952727467 /nfs/dbraw/zinc/72/74/67/952727467.db2.gz LBPQHAUVWIQBPZ-ZDUSSCGKSA-N -1 3 380.412 0.677 20 0 GCADHM Cn1c(=O)cccc1C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571160666 952727472 /nfs/dbraw/zinc/72/74/72/952727472.db2.gz LBPQHAUVWIQBPZ-ZDUSSCGKSA-N -1 3 380.412 0.677 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001571160840 952728308 /nfs/dbraw/zinc/72/83/08/952728308.db2.gz MWJRBRPVUVJITG-ZDUSSCGKSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cncc(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001571160840 952728312 /nfs/dbraw/zinc/72/83/12/952728312.db2.gz MWJRBRPVUVJITG-ZDUSSCGKSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1ccncc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571161259 952731571 /nfs/dbraw/zinc/73/15/71/952731571.db2.gz SZFKVKAEDMCYFQ-HUUCEWRRSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccncc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571161259 952731574 /nfs/dbraw/zinc/73/15/74/952731574.db2.gz SZFKVKAEDMCYFQ-HUUCEWRRSA-N -1 3 380.412 0.335 20 0 GCADHM Cn1cccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)c1=O ZINC001571161407 952731677 /nfs/dbraw/zinc/73/16/77/952731677.db2.gz UWYPQJVRRJRSJA-ZDUSSCGKSA-N -1 3 380.412 0.677 20 0 GCADHM Cn1cccc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)c1=O ZINC001571161407 952731682 /nfs/dbraw/zinc/73/16/82/952731682.db2.gz UWYPQJVRRJRSJA-ZDUSSCGKSA-N -1 3 380.412 0.677 20 0 GCADHM Cc1ncccc1CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161390 952732172 /nfs/dbraw/zinc/73/21/72/952732172.db2.gz UIJRBUAXLXMMFG-ZDUSSCGKSA-N -1 3 380.412 0.472 20 0 GCADHM Cc1ncccc1CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161390 952732173 /nfs/dbraw/zinc/73/21/73/952732173.db2.gz UIJRBUAXLXMMFG-ZDUSSCGKSA-N -1 3 380.412 0.472 20 0 GCADHM Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571161452 952732650 /nfs/dbraw/zinc/73/26/50/952732650.db2.gz VWKNAUDHZDFWRQ-LBPRGKRZSA-N -1 3 380.412 0.790 20 0 GCADHM Cc1cncc(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571161452 952732653 /nfs/dbraw/zinc/73/26/53/952732653.db2.gz VWKNAUDHZDFWRQ-LBPRGKRZSA-N -1 3 380.412 0.790 20 0 GCADHM O=C(CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC001571161482 952732975 /nfs/dbraw/zinc/73/29/75/952732975.db2.gz WZOSVPDXSZNCBR-AWEZNQCLSA-N -1 3 380.412 0.638 20 0 GCADHM O=C(CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC001571161482 952732978 /nfs/dbraw/zinc/73/29/78/952732978.db2.gz WZOSVPDXSZNCBR-AWEZNQCLSA-N -1 3 380.412 0.638 20 0 GCADHM CN(C(=O)c1cc(C2CC2)n[nH]1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571161951 952736226 /nfs/dbraw/zinc/73/62/26/952736226.db2.gz GABKVJPLOQTWIE-NSHDSACASA-N -1 3 380.416 0.608 20 0 GCADHM CN(c1cnc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001571162031 952737854 /nfs/dbraw/zinc/73/78/54/952737854.db2.gz IHTWYERVWMVWKP-LLVKDONJSA-N -1 3 380.416 0.608 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571162177 952739579 /nfs/dbraw/zinc/73/95/79/952739579.db2.gz MXGJSLAZOGNGRB-OTYXRUKQSA-N -1 3 380.416 0.830 20 0 GCADHM Cc1nc[nH]c1C(=O)N1C[C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571162352 952741729 /nfs/dbraw/zinc/74/17/29/952741729.db2.gz RERAGCFYLQVNKQ-NEPJUHHUSA-N -1 3 380.416 0.287 20 0 GCADHM O=C(c1ncc[nH]1)N1CCOC2(CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001571162472 952744524 /nfs/dbraw/zinc/74/45/24/952744524.db2.gz VDUYHIMEEPXZRG-UHFFFAOYSA-N -1 3 380.412 0.317 20 0 GCADHM O=C(c1ncc[nH]1)N1CCOC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001571162472 952744527 /nfs/dbraw/zinc/74/45/27/952744527.db2.gz VDUYHIMEEPXZRG-UHFFFAOYSA-N -1 3 380.412 0.317 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571162663 952745289 /nfs/dbraw/zinc/74/52/89/952745289.db2.gz XLDQZLPXGBPTIR-GHMZBOCLSA-N -1 3 380.416 0.597 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571162663 952745293 /nfs/dbraw/zinc/74/52/93/952745293.db2.gz XLDQZLPXGBPTIR-GHMZBOCLSA-N -1 3 380.416 0.597 20 0 GCADHM O=C(Cn1cncn1)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571164989 952746349 /nfs/dbraw/zinc/74/63/49/952746349.db2.gz AFLWBGADUQPHGF-DYVFJYSZSA-N -1 3 380.416 0.171 20 0 GCADHM O=C(Cn1cncn1)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571164989 952746352 /nfs/dbraw/zinc/74/63/52/952746352.db2.gz AFLWBGADUQPHGF-DYVFJYSZSA-N -1 3 380.416 0.171 20 0 GCADHM Cc1nc(NC2CCN(C(=O)c3nccnc3N)CC2)ccc1-c1nnn[n-]1 ZINC001571165528 952751870 /nfs/dbraw/zinc/75/18/70/952751870.db2.gz IZTRXZHHLDWTDO-UHFFFAOYSA-N -1 3 380.416 0.659 20 0 GCADHM Cc1nc(NC2CCN(C(=O)c3nccnc3N)CC2)ccc1-c1nn[n-]n1 ZINC001571165528 952751874 /nfs/dbraw/zinc/75/18/74/952751874.db2.gz IZTRXZHHLDWTDO-UHFFFAOYSA-N -1 3 380.416 0.659 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571165491 952752049 /nfs/dbraw/zinc/75/20/49/952752049.db2.gz HYELSBKIFZBCTL-ZIAGYGMSSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571165491 952752054 /nfs/dbraw/zinc/75/20/54/952752054.db2.gz HYELSBKIFZBCTL-ZIAGYGMSSA-N -1 3 380.416 0.192 20 0 GCADHM O=C([C@@H]1CCc2n[nH]cc2C1)N1CC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571165837 952756498 /nfs/dbraw/zinc/75/64/98/952756498.db2.gz LVUPFJQYDVSQBR-PWSUYJOCSA-N -1 3 380.416 0.198 20 0 GCADHM Cc1nc(N2CC[C@@H]3CN(C(=O)c4nc[nH]n4)CC[C@H]32)ccc1-c1nn[n-]n1 ZINC001571165969 952757207 /nfs/dbraw/zinc/75/72/07/952757207.db2.gz MIWDZKAEMFMTGX-DGCLKSJQSA-N -1 3 380.416 0.429 20 0 GCADHM O=C(Cc1c[nH]cn1)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571166149 952758070 /nfs/dbraw/zinc/75/80/70/952758070.db2.gz OTOJGHHPRZLJRP-VGPLMAKISA-N -1 3 380.416 0.239 20 0 GCADHM O=C(Cc1c[nH]cn1)NC1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571166149 952758073 /nfs/dbraw/zinc/75/80/73/952758073.db2.gz OTOJGHHPRZLJRP-VGPLMAKISA-N -1 3 380.416 0.239 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571166119 952758920 /nfs/dbraw/zinc/75/89/20/952758920.db2.gz OFGKCFVTPBBBMO-CXAGYDPISA-N -1 3 380.416 0.620 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571166119 952758922 /nfs/dbraw/zinc/75/89/22/952758922.db2.gz OFGKCFVTPBBBMO-CXAGYDPISA-N -1 3 380.416 0.620 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nnn[n-]4)nc2)C3)n1 ZINC001571166126 952759057 /nfs/dbraw/zinc/75/90/57/952759057.db2.gz OGBCERIMCVHORZ-LOWVWBTDSA-N -1 3 380.416 0.178 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccc(-c4nn[n-]n4)nc2)C3)n1 ZINC001571166126 952759059 /nfs/dbraw/zinc/75/90/59/952759059.db2.gz OGBCERIMCVHORZ-LOWVWBTDSA-N -1 3 380.416 0.178 20 0 GCADHM O=C(c1cn[nH]n1)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571166208 952759454 /nfs/dbraw/zinc/75/94/54/952759454.db2.gz QAEMVOLQHJYTEH-QGZVFWFLSA-N -1 3 380.416 0.513 20 0 GCADHM Cc1nc(C(=O)N2C[C@H]3CN(c4cnc(-c5nnn[n-]5)cn4)C[C@@]3(C)C2)c[nH]1 ZINC001571166606 952762684 /nfs/dbraw/zinc/76/26/84/952762684.db2.gz UDNIFSAMTVDEBD-DIFFPNOSSA-N -1 3 380.416 0.287 20 0 GCADHM O=C([C@@H]1C[C@H]1c1c[nH]cn1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166837 952765409 /nfs/dbraw/zinc/76/54/09/952765409.db2.gz XQJDCXNENWYSIW-IJLUTSLNSA-N -1 3 380.416 0.586 20 0 GCADHM Cc1nc(N[C@H]2C[C@H](C)N(C(=O)c3nccnc3N)C2)ccc1-c1nnn[n-]1 ZINC001571166801 952765430 /nfs/dbraw/zinc/76/54/30/952765430.db2.gz WIDMEXGEMOVNTK-ONGXEEELSA-N -1 3 380.416 0.657 20 0 GCADHM Cc1nc(N[C@H]2C[C@H](C)N(C(=O)c3nccnc3N)C2)ccc1-c1nn[n-]n1 ZINC001571166801 952765433 /nfs/dbraw/zinc/76/54/33/952765433.db2.gz WIDMEXGEMOVNTK-ONGXEEELSA-N -1 3 380.416 0.657 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3nccnc3N)C2)ccc1-c1nnn[n-]1 ZINC001571166799 952765630 /nfs/dbraw/zinc/76/56/30/952765630.db2.gz WIDMEXGEMOVNTK-KOLCDFICSA-N -1 3 380.416 0.657 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](C)N(C(=O)c3nccnc3N)C2)ccc1-c1nn[n-]n1 ZINC001571166799 952765632 /nfs/dbraw/zinc/76/56/32/952765632.db2.gz WIDMEXGEMOVNTK-KOLCDFICSA-N -1 3 380.416 0.657 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571166878 952766976 /nfs/dbraw/zinc/76/69/76/952766976.db2.gz YNVQIGQCHAGNEE-DYVFJYSZSA-N -1 3 380.416 0.240 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nn1)CC2 ZINC001571166878 952766979 /nfs/dbraw/zinc/76/69/79/952766979.db2.gz YNVQIGQCHAGNEE-DYVFJYSZSA-N -1 3 380.416 0.240 20 0 GCADHM O=C(Cn1cncn1)NC1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001571166950 952767513 /nfs/dbraw/zinc/76/75/13/952767513.db2.gz ZCRDYSYKYNHRIG-YHWZYXNKSA-N -1 3 380.416 0.169 20 0 GCADHM O=C(Cn1cncn1)NC1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001571166950 952767519 /nfs/dbraw/zinc/76/75/19/952767519.db2.gz ZCRDYSYKYNHRIG-YHWZYXNKSA-N -1 3 380.416 0.169 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571166964 952767863 /nfs/dbraw/zinc/76/78/63/952767863.db2.gz ZMLQCBFRMSXIIC-VXGBXAGGSA-N -1 3 380.416 0.787 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571166964 952767868 /nfs/dbraw/zinc/76/78/68/952767868.db2.gz ZMLQCBFRMSXIIC-VXGBXAGGSA-N -1 3 380.416 0.787 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170012 952781534 /nfs/dbraw/zinc/78/15/34/952781534.db2.gz CIFGZXIQPGIWPL-YNEHKIRRSA-N -1 3 381.396 0.922 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170012 952781537 /nfs/dbraw/zinc/78/15/37/952781537.db2.gz CIFGZXIQPGIWPL-YNEHKIRRSA-N -1 3 381.396 0.922 20 0 GCADHM O=C(NC1CN(C[C@H]2COc3ccccc3O2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571170155 952783699 /nfs/dbraw/zinc/78/36/99/952783699.db2.gz DRNQWXHPVYHZTJ-LBPRGKRZSA-N -1 3 381.396 0.449 20 0 GCADHM O=C(NC1CN(C[C@H]2COc3ccccc3O2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571170155 952783703 /nfs/dbraw/zinc/78/37/03/952783703.db2.gz DRNQWXHPVYHZTJ-LBPRGKRZSA-N -1 3 381.396 0.449 20 0 GCADHM CCn1nc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)ccc1=O ZINC001571170422 952785616 /nfs/dbraw/zinc/78/56/16/952785616.db2.gz JHUMHXKICQKKTJ-LBPRGKRZSA-N -1 3 381.400 0.165 20 0 GCADHM CCn1nc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)ccc1=O ZINC001571170422 952785623 /nfs/dbraw/zinc/78/56/23/952785623.db2.gz JHUMHXKICQKKTJ-LBPRGKRZSA-N -1 3 381.400 0.165 20 0 GCADHM COc1cccc(CC(=O)N2CC[C@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571171132 952791657 /nfs/dbraw/zinc/79/16/57/952791657.db2.gz PTOUMXIBVGVVAA-AWEZNQCLSA-N -1 3 381.396 0.888 20 0 GCADHM COc1cccc(CC(=O)N2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571171132 952791664 /nfs/dbraw/zinc/79/16/64/952791664.db2.gz PTOUMXIBVGVVAA-AWEZNQCLSA-N -1 3 381.396 0.888 20 0 GCADHM CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571171394 952792664 /nfs/dbraw/zinc/79/26/64/952792664.db2.gz SGSMYIJWPXJHKJ-LBPRGKRZSA-N -1 3 381.400 0.040 20 0 GCADHM CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571171394 952792670 /nfs/dbraw/zinc/79/26/70/952792670.db2.gz SGSMYIJWPXJHKJ-LBPRGKRZSA-N -1 3 381.400 0.040 20 0 GCADHM CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571171393 952792697 /nfs/dbraw/zinc/79/26/97/952792697.db2.gz SGSMYIJWPXJHKJ-GFCCVEGCSA-N -1 3 381.400 0.040 20 0 GCADHM CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571171393 952792704 /nfs/dbraw/zinc/79/27/04/952792704.db2.gz SGSMYIJWPXJHKJ-GFCCVEGCSA-N -1 3 381.400 0.040 20 0 GCADHM O=C(c1cc2n(n1)CCC[C@@H]2O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571171788 952797173 /nfs/dbraw/zinc/79/71/73/952797173.db2.gz WFOBVAKWXDMMIV-INIZCTEOSA-N -1 3 381.396 0.794 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571171997 952800250 /nfs/dbraw/zinc/80/02/50/952800250.db2.gz ZYQMBWDNPMGNFL-WDEREUQCSA-N -1 3 381.400 0.545 20 0 GCADHM Cc1ccc(C(=O)N(C)C2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571174568 952809824 /nfs/dbraw/zinc/80/98/24/952809824.db2.gz ALWGABUIJXJQQJ-UHFFFAOYSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccc(C(=O)N(C)C2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571174568 952809831 /nfs/dbraw/zinc/80/98/31/952809831.db2.gz ALWGABUIJXJQQJ-UHFFFAOYSA-N -1 3 381.400 0.326 20 0 GCADHM COc1ccc(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nnn[n-]2)nn1 ZINC001571174696 952813446 /nfs/dbraw/zinc/81/34/46/952813446.db2.gz FJAOMEXNTXKHCL-NSHDSACASA-N -1 3 381.400 0.777 20 0 GCADHM COc1ccc(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nn[n-]n2)nn1 ZINC001571174696 952813449 /nfs/dbraw/zinc/81/34/49/952813449.db2.gz FJAOMEXNTXKHCL-NSHDSACASA-N -1 3 381.400 0.777 20 0 GCADHM COc1nccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571174744 952814415 /nfs/dbraw/zinc/81/44/15/952814415.db2.gz GXONTYZRBYJJPN-LLVKDONJSA-N -1 3 381.400 0.317 20 0 GCADHM COc1nccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571174744 952814420 /nfs/dbraw/zinc/81/44/20/952814420.db2.gz GXONTYZRBYJJPN-LLVKDONJSA-N -1 3 381.400 0.317 20 0 GCADHM CNC(=O)N[C@@H]1CCN(c2nccc(Oc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001571174763 952814468 /nfs/dbraw/zinc/81/44/68/952814468.db2.gz HRIMARCSLXCHMZ-GFCCVEGCSA-N -1 3 381.400 0.957 20 0 GCADHM CNC(=O)N[C@@H]1CCN(c2nccc(Oc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001571174763 952814473 /nfs/dbraw/zinc/81/44/73/952814473.db2.gz HRIMARCSLXCHMZ-GFCCVEGCSA-N -1 3 381.400 0.957 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cncnc1 ZINC001571174754 952814713 /nfs/dbraw/zinc/81/47/13/952814713.db2.gz HJYNBAWSIAOZSQ-CYBMUJFWSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cncnc1 ZINC001571174754 952814717 /nfs/dbraw/zinc/81/47/17/952814717.db2.gz HJYNBAWSIAOZSQ-CYBMUJFWSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cncnc1 ZINC001571174755 952814810 /nfs/dbraw/zinc/81/48/10/952814810.db2.gz HJYNBAWSIAOZSQ-ZDUSSCGKSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cncnc1 ZINC001571174755 952814818 /nfs/dbraw/zinc/81/48/18/952814818.db2.gz HJYNBAWSIAOZSQ-ZDUSSCGKSA-N -1 3 381.400 0.362 20 0 GCADHM COc1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001571174847 952815338 /nfs/dbraw/zinc/81/53/38/952815338.db2.gz KBSWUMNTCNYFLO-UMSPYCQHSA-N -1 3 381.400 0.681 20 0 GCADHM COc1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001571174847 952815340 /nfs/dbraw/zinc/81/53/40/952815340.db2.gz KBSWUMNTCNYFLO-UMSPYCQHSA-N -1 3 381.400 0.681 20 0 GCADHM Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)n1 ZINC001571174828 952816205 /nfs/dbraw/zinc/81/62/05/952816205.db2.gz JMBYXPJCELUTQN-ZWNOBZJWSA-N -1 3 381.400 0.213 20 0 GCADHM Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)n1 ZINC001571174828 952816210 /nfs/dbraw/zinc/81/62/10/952816210.db2.gz JMBYXPJCELUTQN-ZWNOBZJWSA-N -1 3 381.400 0.213 20 0 GCADHM COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001571175147 952818375 /nfs/dbraw/zinc/81/83/75/952818375.db2.gz QVRAVMPNZSECHV-GFCCVEGCSA-N -1 3 381.400 0.777 20 0 GCADHM COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001571175147 952818380 /nfs/dbraw/zinc/81/83/80/952818380.db2.gz QVRAVMPNZSECHV-GFCCVEGCSA-N -1 3 381.400 0.777 20 0 GCADHM O=C(N[C@@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2)c1cn[nH]c1 ZINC001571175317 952818976 /nfs/dbraw/zinc/81/89/76/952818976.db2.gz ARINJLBPKZPYGX-CHWSQXEVSA-N -1 3 381.400 0.389 20 0 GCADHM O=C(N[C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2)c1cn[nH]c1 ZINC001571175317 952818983 /nfs/dbraw/zinc/81/89/83/952818983.db2.gz ARINJLBPKZPYGX-CHWSQXEVSA-N -1 3 381.400 0.389 20 0 GCADHM COc1ncc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571175318 952819638 /nfs/dbraw/zinc/81/96/38/952819638.db2.gz SFJGZVWFMKPFKW-UHFFFAOYSA-N -1 3 381.400 0.681 20 0 GCADHM COc1ncc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571175318 952819644 /nfs/dbraw/zinc/81/96/44/952819644.db2.gz SFJGZVWFMKPFKW-UHFFFAOYSA-N -1 3 381.400 0.681 20 0 GCADHM COc1cncc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571175320 952819814 /nfs/dbraw/zinc/81/98/14/952819814.db2.gz SJXYVLTYWAIPTF-LLVKDONJSA-N -1 3 381.400 0.635 20 0 GCADHM COc1cncc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571175320 952819819 /nfs/dbraw/zinc/81/98/19/952819819.db2.gz SJXYVLTYWAIPTF-LLVKDONJSA-N -1 3 381.400 0.635 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](C)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001571175573 952822619 /nfs/dbraw/zinc/82/26/19/952822619.db2.gz VJZGKZBLWITKJX-NOZJJQNGSA-N -1 3 381.400 0.320 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](C)[C@H](NC(=O)c3cn[nH]c(=O)c3)C2)n1 ZINC001571175573 952822624 /nfs/dbraw/zinc/82/26/24/952822624.db2.gz VJZGKZBLWITKJX-NOZJJQNGSA-N -1 3 381.400 0.320 20 0 GCADHM O=C(N[C@@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)c1c[nH]c(=O)cn1 ZINC001571175665 952823249 /nfs/dbraw/zinc/82/32/49/952823249.db2.gz DMNKAKWPRDOSDL-WDEREUQCSA-N -1 3 381.400 0.498 20 0 GCADHM O=C(N[C@@H]1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)c1c[nH]c(=O)cn1 ZINC001571175665 952823254 /nfs/dbraw/zinc/82/32/54/952823254.db2.gz DMNKAKWPRDOSDL-WDEREUQCSA-N -1 3 381.400 0.498 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001571175624 952823382 /nfs/dbraw/zinc/82/33/82/952823382.db2.gz XMAHOUQYAWDHFN-LLVKDONJSA-N -1 3 381.400 0.040 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001571175624 952823383 /nfs/dbraw/zinc/82/33/83/952823383.db2.gz XMAHOUQYAWDHFN-LLVKDONJSA-N -1 3 381.400 0.040 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)ccc1-c1nnn[n-]1 ZINC001571175706 952824642 /nfs/dbraw/zinc/82/46/42/952824642.db2.gz FOESJCMFRPQKDJ-NSHDSACASA-N -1 3 381.400 0.324 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)c3cc(C(N)=O)c[nH]3)C2)ccc1-c1nn[n-]n1 ZINC001571175706 952824649 /nfs/dbraw/zinc/82/46/49/952824649.db2.gz FOESJCMFRPQKDJ-NSHDSACASA-N -1 3 381.400 0.324 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571175704 952824930 /nfs/dbraw/zinc/82/49/30/952824930.db2.gz FOAIDCPZYUMRLA-PHIMTYICSA-N -1 3 381.400 0.028 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cn3c(n2)CCC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571175704 952824933 /nfs/dbraw/zinc/82/49/33/952824933.db2.gz FOAIDCPZYUMRLA-PHIMTYICSA-N -1 3 381.400 0.028 20 0 GCADHM O=C(Cc1ncc[nH]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001571175728 952825274 /nfs/dbraw/zinc/82/52/74/952825274.db2.gz GPZXVLTZWVNTBN-WZRBSPASSA-N -1 3 381.400 0.022 20 0 GCADHM O=C(Cc1ncc[nH]1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571175728 952825281 /nfs/dbraw/zinc/82/52/81/952825281.db2.gz GPZXVLTZWVNTBN-WZRBSPASSA-N -1 3 381.400 0.022 20 0 GCADHM Cc1nc(N2CC[C@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)ccc1-c1nnn[n-]1 ZINC001571175934 952825998 /nfs/dbraw/zinc/82/59/98/952825998.db2.gz IQOKWFJCAAHTGQ-KRWDZBQOSA-N -1 3 381.400 0.465 20 0 GCADHM Cc1nc(N2CC[C@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)ccc1-c1nn[n-]n1 ZINC001571175934 952826006 /nfs/dbraw/zinc/82/60/06/952826006.db2.gz IQOKWFJCAAHTGQ-KRWDZBQOSA-N -1 3 381.400 0.465 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)c3cn[nH]c(=O)c3)C2)ccc1-c1nnn[n-]1 ZINC001571175922 952826039 /nfs/dbraw/zinc/82/60/39/952826039.db2.gz IGSRPFIDURSAIY-UHFFFAOYSA-N -1 3 381.400 0.686 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)c3cn[nH]c(=O)c3)C2)ccc1-c1nn[n-]n1 ZINC001571175922 952826045 /nfs/dbraw/zinc/82/60/45/952826045.db2.gz IGSRPFIDURSAIY-UHFFFAOYSA-N -1 3 381.400 0.686 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001571175773 952826216 /nfs/dbraw/zinc/82/62/16/952826216.db2.gz ZIIGUGWSCIMEAF-GFCCVEGCSA-N -1 3 381.400 0.040 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001571175773 952826222 /nfs/dbraw/zinc/82/62/22/952826222.db2.gz ZIIGUGWSCIMEAF-GFCCVEGCSA-N -1 3 381.400 0.040 20 0 GCADHM NC(=O)c1nccnc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571175981 952827531 /nfs/dbraw/zinc/82/75/31/952827531.db2.gz KLNNNDHJRLTOTK-UHFFFAOYSA-N -1 3 381.400 0.953 20 0 GCADHM NC(=O)c1nccnc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571175981 952827539 /nfs/dbraw/zinc/82/75/39/952827539.db2.gz KLNNNDHJRLTOTK-UHFFFAOYSA-N -1 3 381.400 0.953 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)c1cnc[nH]c1=O ZINC001571175980 952828288 /nfs/dbraw/zinc/82/82/88/952828288.db2.gz KLCQWGQNRJRCDF-NSHDSACASA-N -1 3 381.400 0.546 20 0 GCADHM Cc1nnccc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001571176522 952831701 /nfs/dbraw/zinc/83/17/01/952831701.db2.gz SLCKCGXEVJGTRG-MFKMUULPSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001571176522 952831705 /nfs/dbraw/zinc/83/17/05/952831705.db2.gz SLCKCGXEVJGTRG-MFKMUULPSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nc(N2CC[C@H]3CN(C(=O)c4cnon4)CC[C@@H]32)ccc1-c1nnn[n-]1 ZINC001571176513 952832472 /nfs/dbraw/zinc/83/24/72/952832472.db2.gz SFHVQLSOGIJYSH-FZMZJTMJSA-N -1 3 381.400 0.694 20 0 GCADHM Cc1nc(N2CC[C@H]3CN(C(=O)c4cnon4)CC[C@@H]32)ccc1-c1nn[n-]n1 ZINC001571176513 952832475 /nfs/dbraw/zinc/83/24/75/952832475.db2.gz SFHVQLSOGIJYSH-FZMZJTMJSA-N -1 3 381.400 0.694 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)c[nH]1 ZINC001571176565 952833884 /nfs/dbraw/zinc/83/38/84/952833884.db2.gz UWOZZXINDDXFFQ-UHFFFAOYSA-N -1 3 381.400 0.405 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)c[nH]1 ZINC001571176565 952833887 /nfs/dbraw/zinc/83/38/87/952833887.db2.gz UWOZZXINDDXFFQ-UHFFFAOYSA-N -1 3 381.400 0.405 20 0 GCADHM O=C(c1cnon1)N1CCC2(CCN(c3ncccc3-c3nnn[n-]3)C2)CC1 ZINC001571178495 952842063 /nfs/dbraw/zinc/84/20/63/952842063.db2.gz KRVILNJOPYNEAI-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM O=C(c1cnon1)N1CCC2(CCN(c3ncccc3-c3nn[n-]n3)C2)CC1 ZINC001571178495 952842071 /nfs/dbraw/zinc/84/20/71/952842071.db2.gz KRVILNJOPYNEAI-UHFFFAOYSA-N -1 3 381.400 0.777 20 0 GCADHM O=C(Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)C1(n2cnnn2)CCOCC1 ZINC001571178639 952845026 /nfs/dbraw/zinc/84/50/26/952845026.db2.gz PHTKRFAPDJVFKZ-UHFFFAOYSA-N -1 3 381.400 0.875 20 0 GCADHM O=C(Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)C1(n2cnnn2)CCOCC1 ZINC001571178639 952845033 /nfs/dbraw/zinc/84/50/33/952845033.db2.gz PHTKRFAPDJVFKZ-UHFFFAOYSA-N -1 3 381.400 0.875 20 0 GCADHM O=C(c1cc2n(n1)CCCO2)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571178660 952845122 /nfs/dbraw/zinc/84/51/22/952845122.db2.gz QMVWQQHCWUORMW-LBPRGKRZSA-N -1 3 381.400 0.567 20 0 GCADHM O=C(c1cc2n(n1)CCCO2)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571178660 952845128 /nfs/dbraw/zinc/84/51/28/952845128.db2.gz QMVWQQHCWUORMW-LBPRGKRZSA-N -1 3 381.400 0.567 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571178708 952846406 /nfs/dbraw/zinc/84/64/06/952846406.db2.gz RGTRASFUHVZIOI-NSHDSACASA-N -1 3 381.400 0.309 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571178708 952846412 /nfs/dbraw/zinc/84/64/12/952846412.db2.gz RGTRASFUHVZIOI-NSHDSACASA-N -1 3 381.400 0.309 20 0 GCADHM O=C(c1ccncn1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571178772 952848523 /nfs/dbraw/zinc/84/85/23/952848523.db2.gz TVBWQGULMDZYLU-UHFFFAOYSA-N -1 3 381.400 0.131 20 0 GCADHM O=C(c1ccncn1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571178772 952848530 /nfs/dbraw/zinc/84/85/30/952848530.db2.gz TVBWQGULMDZYLU-UHFFFAOYSA-N -1 3 381.400 0.131 20 0 GCADHM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571179481 952853063 /nfs/dbraw/zinc/85/30/63/952853063.db2.gz FCFWQFSEBNPOLJ-SSLCOKDMSA-N -1 3 381.440 0.946 20 0 GCADHM O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571179481 952853069 /nfs/dbraw/zinc/85/30/69/952853069.db2.gz FCFWQFSEBNPOLJ-SSLCOKDMSA-N -1 3 381.440 0.946 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571179668 952856110 /nfs/dbraw/zinc/85/61/10/952856110.db2.gz IYYBCBMZZCGSCG-FWCRSNNSSA-N -1 3 381.440 0.864 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571179668 952856113 /nfs/dbraw/zinc/85/61/13/952856113.db2.gz IYYBCBMZZCGSCG-FWCRSNNSSA-N -1 3 381.440 0.864 20 0 GCADHM C[C@@]12CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]1CN(C(=O)[C@@H]1CC13CC3)C2 ZINC001571182743 952868211 /nfs/dbraw/zinc/86/82/11/952868211.db2.gz DDDXJOGQVAVFFF-ZJNRKIDTSA-N -1 3 381.440 0.915 20 0 GCADHM C[C@@]12CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]1CN(C(=O)[C@@H]1CC13CC3)C2 ZINC001571182743 952868215 /nfs/dbraw/zinc/86/82/15/952868215.db2.gz DDDXJOGQVAVFFF-ZJNRKIDTSA-N -1 3 381.440 0.915 20 0 GCADHM COc1ccc(NC(=O)NCC2(S(N)(=O)=O)CCC2)cc1-c1nnn[n-]1 ZINC001571182850 952869845 /nfs/dbraw/zinc/86/98/45/952869845.db2.gz HWSUVKLUGPBUOB-UHFFFAOYSA-N -1 3 381.418 0.208 20 0 GCADHM COc1ccc(NC(=O)NCC2(S(N)(=O)=O)CCC2)cc1-c1nn[n-]n1 ZINC001571182850 952869848 /nfs/dbraw/zinc/86/98/48/952869848.db2.gz HWSUVKLUGPBUOB-UHFFFAOYSA-N -1 3 381.418 0.208 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C[C@@H](O)Cc2ccccc2)C1 ZINC001571182893 952871105 /nfs/dbraw/zinc/87/11/05/952871105.db2.gz IWKHLIKIMJXRPC-INIZCTEOSA-N -1 3 381.440 0.555 20 0 GCADHM C[C@@H](c1ccccc1)[C@@H](O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571183030 952871670 /nfs/dbraw/zinc/87/16/70/952871670.db2.gz MGIDZEBHVINRCY-SJCJKPOMSA-N -1 3 381.440 0.773 20 0 GCADHM C[C@@H](c1ccccc1)[C@@H](O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571183030 952871673 /nfs/dbraw/zinc/87/16/73/952871673.db2.gz MGIDZEBHVINRCY-SJCJKPOMSA-N -1 3 381.440 0.773 20 0 GCADHM CO[C@H](Cc1ccccc1)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571183139 952874696 /nfs/dbraw/zinc/87/46/96/952874696.db2.gz PVUCLOXLIJDXLJ-MRXNPFEDSA-N -1 3 381.440 0.867 20 0 GCADHM CO[C@H](Cc1ccccc1)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571183139 952874699 /nfs/dbraw/zinc/87/46/99/952874699.db2.gz PVUCLOXLIJDXLJ-MRXNPFEDSA-N -1 3 381.440 0.867 20 0 GCADHM Cc1nsc(N2CCC[C@H](NC(=O)[C@@]3(F)CCOC3)C2)c1-c1nnn[n-]1 ZINC001571183254 952875465 /nfs/dbraw/zinc/87/54/65/952875465.db2.gz UPZORHFIOSOZDV-ZUZCIYMTSA-N -1 3 381.437 0.845 20 0 GCADHM CCc1c[nH]c(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)n1 ZINC001571183930 952885880 /nfs/dbraw/zinc/88/58/80/952885880.db2.gz MWDJVICWOWKXTO-ZDUSSCGKSA-N -1 3 381.444 0.793 20 0 GCADHM C[C@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571184238 952889280 /nfs/dbraw/zinc/88/92/80/952889280.db2.gz UMGHJKUTBPFODJ-WFASDCNBSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H]1CN(C(=O)CCc2ccn(C)n2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571184238 952889282 /nfs/dbraw/zinc/88/92/82/952889282.db2.gz UMGHJKUTBPFODJ-WFASDCNBSA-N -1 3 381.444 0.887 20 0 GCADHM CCn1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)[C@@H]2C)cn1 ZINC001571186092 952904646 /nfs/dbraw/zinc/90/46/46/952904646.db2.gz SDNNMYVINAYWEN-DOMZBBRYSA-N -1 3 381.444 0.804 20 0 GCADHM CCn1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)[C@@H]2C)cn1 ZINC001571186092 952904648 /nfs/dbraw/zinc/90/46/48/952904648.db2.gz SDNNMYVINAYWEN-DOMZBBRYSA-N -1 3 381.444 0.804 20 0 GCADHM Cc1c(CC(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571186310 952907130 /nfs/dbraw/zinc/90/71/30/952907130.db2.gz WEVQVYFJRFPHOS-CYBMUJFWSA-N -1 3 381.444 0.807 20 0 GCADHM Cc1c(CC(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571186310 952907136 /nfs/dbraw/zinc/90/71/36/952907136.db2.gz WEVQVYFJRFPHOS-CYBMUJFWSA-N -1 3 381.444 0.807 20 0 GCADHM Cc1ccnn1CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC001571187962 952911088 /nfs/dbraw/zinc/91/10/88/952911088.db2.gz DPMPWUCXDBIQPT-TZMCWYRMSA-N -1 3 381.444 0.973 20 0 GCADHM Cc1ccnn1CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC001571187962 952911093 /nfs/dbraw/zinc/91/10/93/952911093.db2.gz DPMPWUCXDBIQPT-TZMCWYRMSA-N -1 3 381.444 0.973 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571188337 952913876 /nfs/dbraw/zinc/91/38/76/952913876.db2.gz IUZTZPYFSAVFLH-UHFFFAOYSA-N -1 3 381.444 0.883 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571188337 952913881 /nfs/dbraw/zinc/91/38/81/952913881.db2.gz IUZTZPYFSAVFLH-UHFFFAOYSA-N -1 3 381.444 0.883 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001571188399 952914349 /nfs/dbraw/zinc/91/43/49/952914349.db2.gz AISKAMHJSGOOKY-DOMZBBRYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2CC[C@@H](C)N(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571188915 952922062 /nfs/dbraw/zinc/92/20/62/952922062.db2.gz PPMUNVAPVICFAT-KGLIPLIRSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2CC[C@@H](C)N(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571188915 952922066 /nfs/dbraw/zinc/92/20/66/952922066.db2.gz PPMUNVAPVICFAT-KGLIPLIRSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nc(N2CCC(NC(=O)Cc3cncn3C)CC2)ccc1-c1nn[n-]n1 ZINC001571189136 952925570 /nfs/dbraw/zinc/92/55/70/952925570.db2.gz NAHJDHVXZORFJS-UHFFFAOYSA-N -1 3 381.444 0.631 20 0 GCADHM Cc1nn(C)cc1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571189400 952929573 /nfs/dbraw/zinc/92/95/73/952929573.db2.gz QWVLOGMNYAQQEA-ZDUSSCGKSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1nn(C)cc1C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571189400 952929576 /nfs/dbraw/zinc/92/95/76/952929576.db2.gz QWVLOGMNYAQQEA-ZDUSSCGKSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)[C@@H]1C ZINC001571189607 952932350 /nfs/dbraw/zinc/93/23/50/952932350.db2.gz YEVZEVPBSDZYAN-HIFRSBDPSA-N -1 3 381.444 0.859 20 0 GCADHM Cc1nc(N2CCC(CNC(=O)c3cncn3C)CC2)ccc1-c1nnn[n-]1 ZINC001571189779 952935268 /nfs/dbraw/zinc/93/52/68/952935268.db2.gz UNTWKPCTSWOZKM-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1nc(N2CCC(CNC(=O)c3cncn3C)CC2)ccc1-c1nn[n-]n1 ZINC001571189779 952935274 /nfs/dbraw/zinc/93/52/74/952935274.db2.gz UNTWKPCTSWOZKM-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)[C@@H](C)c3cnn(C)c3)C2)ccc1-c1nnn[n-]1 ZINC001571189744 952935437 /nfs/dbraw/zinc/93/54/37/952935437.db2.gz TWXVYYOPYBFIAG-FZMZJTMJSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)[C@@H](C)c3cnn(C)c3)C2)ccc1-c1nn[n-]n1 ZINC001571189744 952935443 /nfs/dbraw/zinc/93/54/43/952935443.db2.gz TWXVYYOPYBFIAG-FZMZJTMJSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1nc(N(C)C[C@H]2CCCN2C(=O)Cn2cccn2)ccc1-c1nnn[n-]1 ZINC001571189899 952937463 /nfs/dbraw/zinc/93/74/63/952937463.db2.gz YWBIHPXOAIQLPJ-CQSZACIVSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1nc(N(C)C[C@H]2CCCN2C(=O)Cn2cccn2)ccc1-c1nn[n-]n1 ZINC001571189899 952937464 /nfs/dbraw/zinc/93/74/64/952937464.db2.gz YWBIHPXOAIQLPJ-CQSZACIVSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ccc(S(=O)(=O)N2C[C@](C)(CO)[C@](C)(CO)C2)c(-c2nnn[n-]2)c1 ZINC001571189903 952937603 /nfs/dbraw/zinc/93/76/03/952937603.db2.gz YZGHBGHCQWLYQD-IYBDPMFKSA-N -1 3 381.458 0.177 20 0 GCADHM Cc1ccc(S(=O)(=O)N2C[C@](C)(CO)[C@](C)(CO)C2)c(-c2nn[n-]n2)c1 ZINC001571189903 952937612 /nfs/dbraw/zinc/93/76/12/952937612.db2.gz YZGHBGHCQWLYQD-IYBDPMFKSA-N -1 3 381.458 0.177 20 0 GCADHM COC(=O)[C@H]1C[C@@H](O)CN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001571190815 952944289 /nfs/dbraw/zinc/94/42/89/952944289.db2.gz MSHMLDBURQNMNE-WCBMZHEXSA-N -1 3 382.218 0.989 20 0 GCADHM COC(=O)[C@H]1C[C@@H](O)CN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001571190815 952944292 /nfs/dbraw/zinc/94/42/92/952944292.db2.gz MSHMLDBURQNMNE-WCBMZHEXSA-N -1 3 382.218 0.989 20 0 GCADHM O=C(Cc1ccc(Br)cc1-c1nnn[n-]1)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001571193078 952949722 /nfs/dbraw/zinc/94/97/22/952949722.db2.gz XQVQFDWYIAWVHU-YHPBZONMSA-N -1 3 382.218 0.172 20 0 GCADHM O=C(Cc1ccc(Br)cc1-c1nn[n-]n1)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001571193078 952949726 /nfs/dbraw/zinc/94/97/26/952949726.db2.gz XQVQFDWYIAWVHU-YHPBZONMSA-N -1 3 382.218 0.172 20 0 GCADHM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc[nH]c1=O ZINC001571193767 952951669 /nfs/dbraw/zinc/95/16/69/952951669.db2.gz BVKHUAQJZFDCEL-UWVGGRQHSA-N -1 3 382.388 0.258 20 0 GCADHM Cn1c(C(=O)Nc2ccc(C(=O)N3CCOCC3)cn2)ccc1-c1nnn[n-]1 ZINC001571193990 952955289 /nfs/dbraw/zinc/95/52/89/952955289.db2.gz DEJWIWQYPTUUCB-UHFFFAOYSA-N -1 3 382.384 0.325 20 0 GCADHM Cn1c(C(=O)Nc2ccc(C(=O)N3CCOCC3)cn2)ccc1-c1nn[n-]n1 ZINC001571193990 952955300 /nfs/dbraw/zinc/95/53/00/952955300.db2.gz DEJWIWQYPTUUCB-UHFFFAOYSA-N -1 3 382.384 0.325 20 0 GCADHM CN(C[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cccc(=O)[nH]1 ZINC001571194003 952955402 /nfs/dbraw/zinc/95/54/02/952955402.db2.gz DTKYNHXSUBUCMG-LLVKDONJSA-N -1 3 382.384 0.282 20 0 GCADHM CN(C[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cccc(=O)[nH]1 ZINC001571194003 952955409 /nfs/dbraw/zinc/95/54/09/952955409.db2.gz DTKYNHXSUBUCMG-LLVKDONJSA-N -1 3 382.384 0.282 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cccc(=O)[nH]1 ZINC001571194004 952955748 /nfs/dbraw/zinc/95/57/48/952955748.db2.gz DTKYNHXSUBUCMG-NSHDSACASA-N -1 3 382.384 0.282 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cccc(=O)[nH]1 ZINC001571194004 952955751 /nfs/dbraw/zinc/95/57/51/952955751.db2.gz DTKYNHXSUBUCMG-NSHDSACASA-N -1 3 382.384 0.282 20 0 GCADHM Cc1nocc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571193970 952955972 /nfs/dbraw/zinc/95/59/72/952955972.db2.gz CHJYTUZDBLMWOZ-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM Cc1nocc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571193970 952955982 /nfs/dbraw/zinc/95/59/82/952955982.db2.gz CHJYTUZDBLMWOZ-CNDDSTCGSA-N -1 3 382.384 0.239 20 0 GCADHM O=C(N[C@@H]1C[C@@H](NC(=O)c2cnco2)C12CCC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194074 952956936 /nfs/dbraw/zinc/95/69/36/952956936.db2.gz FRRLKAPTSUKWGF-CHWSQXEVSA-N -1 3 382.384 0.654 20 0 GCADHM O=C(N[C@@H]1C[C@@H](NC(=O)c2cnco2)C12CCC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194074 952956940 /nfs/dbraw/zinc/95/69/40/952956940.db2.gz FRRLKAPTSUKWGF-CHWSQXEVSA-N -1 3 382.384 0.654 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)no2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194155 952957886 /nfs/dbraw/zinc/95/78/86/952957886.db2.gz HLXOLDKPAZBCGM-PHIMTYICSA-N -1 3 382.384 0.751 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cc(C3CC3)no2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194155 952957888 /nfs/dbraw/zinc/95/78/88/952957888.db2.gz HLXOLDKPAZBCGM-PHIMTYICSA-N -1 3 382.384 0.751 20 0 GCADHM COC(=O)c1cc(NC(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)nn1C ZINC001571194207 952959414 /nfs/dbraw/zinc/95/94/14/952959414.db2.gz JAXDVESIOIKVPV-GFCCVEGCSA-N -1 3 382.384 0.676 20 0 GCADHM COC(=O)c1cc(NC(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)nn1C ZINC001571194207 952959417 /nfs/dbraw/zinc/95/94/17/952959417.db2.gz JAXDVESIOIKVPV-GFCCVEGCSA-N -1 3 382.384 0.676 20 0 GCADHM CC(=O)c1cn(CC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571194192 952959775 /nfs/dbraw/zinc/95/97/75/952959775.db2.gz ILCPVLQFEDCXJP-OAHLLOKOSA-N -1 3 382.384 0.261 20 0 GCADHM CC(=O)c1cn(CC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571194192 952959778 /nfs/dbraw/zinc/95/97/78/952959778.db2.gz ILCPVLQFEDCXJP-OAHLLOKOSA-N -1 3 382.384 0.261 20 0 GCADHM Cc1cnoc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571194300 952960578 /nfs/dbraw/zinc/96/05/78/952960578.db2.gz JVWDCEBWLOMULB-WZRBSPASSA-N -1 3 382.384 0.667 20 0 GCADHM Cc1cnoc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571194300 952960582 /nfs/dbraw/zinc/96/05/82/952960582.db2.gz JVWDCEBWLOMULB-WZRBSPASSA-N -1 3 382.384 0.667 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)no1 ZINC001571194348 952961679 /nfs/dbraw/zinc/96/16/79/952961679.db2.gz KUJLOFJHANNGQY-QMTHXVAHSA-N -1 3 382.384 0.478 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)no1 ZINC001571194348 952961681 /nfs/dbraw/zinc/96/16/81/952961681.db2.gz KUJLOFJHANNGQY-QMTHXVAHSA-N -1 3 382.384 0.478 20 0 GCADHM Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)no1 ZINC001571194453 952962750 /nfs/dbraw/zinc/96/27/50/952962750.db2.gz NKZFNWSIAKTEKA-GYSYKLTISA-N -1 3 382.384 0.667 20 0 GCADHM Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)no1 ZINC001571194453 952962755 /nfs/dbraw/zinc/96/27/55/952962755.db2.gz NKZFNWSIAKTEKA-GYSYKLTISA-N -1 3 382.384 0.667 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1C(=O)c1cc[nH]c(=O)c1 ZINC001571194505 952964251 /nfs/dbraw/zinc/96/42/51/952964251.db2.gz OFZZHIDCDCGRCP-KOLCDFICSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CN1C(=O)c1cc[nH]c(=O)c1 ZINC001571194505 952964258 /nfs/dbraw/zinc/96/42/58/952964258.db2.gz OFZZHIDCDCGRCP-KOLCDFICSA-N -1 3 382.384 0.328 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cnoc2C2CC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571194814 952968201 /nfs/dbraw/zinc/96/82/01/952968201.db2.gz RPCVTKMZZLBXPK-AOOOYVTPSA-N -1 3 382.384 0.751 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cnoc2C2CC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571194814 952968205 /nfs/dbraw/zinc/96/82/05/952968205.db2.gz RPCVTKMZZLBXPK-AOOOYVTPSA-N -1 3 382.384 0.751 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1cocn1)C2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571195025 952972039 /nfs/dbraw/zinc/97/20/39/952972039.db2.gz WNWJBPHCXCKOBB-GTNSWQLSSA-N -1 3 382.384 0.608 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1cocn1)C2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571195025 952972044 /nfs/dbraw/zinc/97/20/44/952972044.db2.gz WNWJBPHCXCKOBB-GTNSWQLSSA-N -1 3 382.384 0.608 20 0 GCADHM Cc1cc(C(=O)N2CCC3(CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)C2)no1 ZINC001571195047 952972235 /nfs/dbraw/zinc/97/22/35/952972235.db2.gz WWRSPTLMQHDBTJ-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM Cc1cc(C(=O)N2CCC3(CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)no1 ZINC001571195047 952972237 /nfs/dbraw/zinc/97/22/37/952972237.db2.gz WWRSPTLMQHDBTJ-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM O=C(Cc1ccon1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571195043 952972390 /nfs/dbraw/zinc/97/23/90/952972390.db2.gz WUEFYCJNRDCFON-BZPMIXESSA-N -1 3 382.384 0.287 20 0 GCADHM O=C(Cc1ccon1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571195043 952972392 /nfs/dbraw/zinc/97/23/92/952972392.db2.gz WUEFYCJNRDCFON-BZPMIXESSA-N -1 3 382.384 0.287 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)c1ccon1)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571195049 952972865 /nfs/dbraw/zinc/97/28/65/952972865.db2.gz XAAUFWQPFVMOFW-DYVFJYSZSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)c1ccon1)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571195049 952972870 /nfs/dbraw/zinc/97/28/70/952972870.db2.gz XAAUFWQPFVMOFW-DYVFJYSZSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(c1ccc([O-])cn1)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC001571195063 952973353 /nfs/dbraw/zinc/97/33/53/952973353.db2.gz XKSCBQLAMGHJPV-UHFFFAOYSA-N -1 3 382.384 0.795 20 0 GCADHM O=C(c1ccc(O)cn1)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC001571195063 952973359 /nfs/dbraw/zinc/97/33/59/952973359.db2.gz XKSCBQLAMGHJPV-UHFFFAOYSA-N -1 3 382.384 0.795 20 0 GCADHM O=C(c1ccc(O)cn1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001571195063 952973371 /nfs/dbraw/zinc/97/33/71/952973371.db2.gz XKSCBQLAMGHJPV-UHFFFAOYSA-N -1 3 382.384 0.795 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1conc1C1CC1 ZINC001571195066 952973454 /nfs/dbraw/zinc/97/34/54/952973454.db2.gz XLXJOVCSRRLJQE-NSHDSACASA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1conc1C1CC1 ZINC001571195066 952973459 /nfs/dbraw/zinc/97/34/59/952973459.db2.gz XLXJOVCSRRLJQE-NSHDSACASA-N -1 3 382.384 0.705 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571195087 952973954 /nfs/dbraw/zinc/97/39/54/952973954.db2.gz YARCGOKJUAWGED-ONGXEEELSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571195087 952973961 /nfs/dbraw/zinc/97/39/61/952973961.db2.gz YARCGOKJUAWGED-ONGXEEELSA-N -1 3 382.384 0.328 20 0 GCADHM COc1nn(C)cc1C(=O)N(C)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571198546 952990856 /nfs/dbraw/zinc/99/08/56/952990856.db2.gz BXIBQOIRKDFTNP-UHFFFAOYSA-N -1 3 382.428 0.565 20 0 GCADHM COc1nn(C)cc1C(=O)N(C)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571198546 952990863 /nfs/dbraw/zinc/99/08/63/952990863.db2.gz BXIBQOIRKDFTNP-UHFFFAOYSA-N -1 3 382.428 0.565 20 0 GCADHM CN(C)Cc1ccc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)o1 ZINC001571198758 952993822 /nfs/dbraw/zinc/99/38/22/952993822.db2.gz FTXKFOIWAUSMRY-UHFFFAOYSA-N -1 3 382.428 0.879 20 0 GCADHM CN(C)Cc1ccc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)o1 ZINC001571198758 952993826 /nfs/dbraw/zinc/99/38/26/952993826.db2.gz FTXKFOIWAUSMRY-UHFFFAOYSA-N -1 3 382.428 0.879 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)cc2)nn1C ZINC001571199184 952997267 /nfs/dbraw/zinc/99/72/67/952997267.db2.gz MUUPDXXTWLPGMV-CQSZACIVSA-N -1 3 382.428 0.613 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1[nH]ccc1C ZINC001571199215 952998240 /nfs/dbraw/zinc/99/82/40/952998240.db2.gz NKVWFBMOUKNMDX-ZIAGYGMSSA-N -1 3 382.428 0.840 20 0 GCADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1[nH]ccc1C ZINC001571199215 952998243 /nfs/dbraw/zinc/99/82/43/952998243.db2.gz NKVWFBMOUKNMDX-ZIAGYGMSSA-N -1 3 382.428 0.840 20 0 GCADHM CCc1c(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)ccn1C ZINC001571199569 953001269 /nfs/dbraw/zinc/00/12/69/953001269.db2.gz VJZNKIYOIKROAN-LLVKDONJSA-N -1 3 382.428 0.740 20 0 GCADHM CCc1c(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)ccn1C ZINC001571199569 953001274 /nfs/dbraw/zinc/00/12/74/953001274.db2.gz VJZNKIYOIKROAN-LLVKDONJSA-N -1 3 382.428 0.740 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)ccn1C ZINC001571199612 953001778 /nfs/dbraw/zinc/00/17/78/953001778.db2.gz WNLJIESWYMACEM-LSDHHAIUSA-N -1 3 382.428 0.278 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)ccn1C ZINC001571199612 953001783 /nfs/dbraw/zinc/00/17/83/953001783.db2.gz WNLJIESWYMACEM-LSDHHAIUSA-N -1 3 382.428 0.278 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](O)c1cncs1 ZINC001571199743 953004229 /nfs/dbraw/zinc/00/42/29/953004229.db2.gz ATBKZDLWFNJVKF-SECBINFHSA-N -1 3 382.427 0.344 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](O)c1cncs1 ZINC001571199743 953004233 /nfs/dbraw/zinc/00/42/33/953004233.db2.gz ATBKZDLWFNJVKF-SECBINFHSA-N -1 3 382.427 0.344 20 0 GCADHM O=C(NC1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1)c1cnn2c1CCC2 ZINC001571200317 953008418 /nfs/dbraw/zinc/00/84/18/953008418.db2.gz HSASFVUKZUTDGS-UHFFFAOYSA-N -1 3 382.403 0.763 20 0 GCADHM O=C(NC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)c1cnn2c1CCC2 ZINC001571200317 953008422 /nfs/dbraw/zinc/00/84/22/953008422.db2.gz HSASFVUKZUTDGS-UHFFFAOYSA-N -1 3 382.403 0.763 20 0 GCADHM CCCc1[nH]ccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571200306 953008646 /nfs/dbraw/zinc/00/86/46/953008646.db2.gz HJBGKZBUTAJMSJ-HUUCEWRRSA-N -1 3 382.428 0.522 20 0 GCADHM CCCc1[nH]ccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571200306 953008650 /nfs/dbraw/zinc/00/86/50/953008650.db2.gz HJBGKZBUTAJMSJ-HUUCEWRRSA-N -1 3 382.428 0.522 20 0 GCADHM O=C(Cn1cccn1)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001571200798 953012234 /nfs/dbraw/zinc/01/22/34/953012234.db2.gz LVTVWUAUWMEISF-GJZGRUSLSA-N -1 3 382.403 0.688 20 0 GCADHM O=C(Cn1cccn1)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001571200798 953012238 /nfs/dbraw/zinc/01/22/38/953012238.db2.gz LVTVWUAUWMEISF-GJZGRUSLSA-N -1 3 382.403 0.688 20 0 GCADHM Cc1ccc(C(=O)N2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1C ZINC001571200863 953012704 /nfs/dbraw/zinc/01/27/04/953012704.db2.gz HBSQRNFCTXESRZ-WCQYABFASA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1C ZINC001571200863 953012707 /nfs/dbraw/zinc/01/27/07/953012707.db2.gz HBSQRNFCTXESRZ-WCQYABFASA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)n1C ZINC001571201313 953016799 /nfs/dbraw/zinc/01/67/99/953016799.db2.gz JYCBTHKGOFQHMC-DGCLKSJQSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)n1C ZINC001571201313 953016804 /nfs/dbraw/zinc/01/68/04/953016804.db2.gz JYCBTHKGOFQHMC-DGCLKSJQSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C)n1cccc1 ZINC001571201527 953018332 /nfs/dbraw/zinc/01/83/32/953018332.db2.gz RAMPADVQLFTRPG-LALPHHSUSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C)n1cccc1 ZINC001571201527 953018334 /nfs/dbraw/zinc/01/83/34/953018334.db2.gz RAMPADVQLFTRPG-LALPHHSUSA-N -1 3 382.428 0.834 20 0 GCADHM Cc1ccn(C)c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571202301 953024572 /nfs/dbraw/zinc/02/45/72/953024572.db2.gz SWYYPAUMOXSSBL-NEPJUHHUSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccn(C)c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571202301 953024577 /nfs/dbraw/zinc/02/45/77/953024577.db2.gz SWYYPAUMOXSSBL-NEPJUHHUSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccn(C)c1C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571202341 953024612 /nfs/dbraw/zinc/02/46/12/953024612.db2.gz UDVQLDAKRSNXTK-UHFFFAOYSA-N -1 3 382.428 0.780 20 0 GCADHM Cc1ccn(C)c1C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571202341 953024616 /nfs/dbraw/zinc/02/46/16/953024616.db2.gz UDVQLDAKRSNXTK-UHFFFAOYSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cccn1C ZINC001571202449 953025465 /nfs/dbraw/zinc/02/54/65/953025465.db2.gz XGDGGAFINCZASC-VXGBXAGGSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cccn1C ZINC001571202449 953025470 /nfs/dbraw/zinc/02/54/70/953025470.db2.gz XGDGGAFINCZASC-VXGBXAGGSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001571204829 953032199 /nfs/dbraw/zinc/03/21/99/953032199.db2.gz CEXAISOKTNVHBL-OLZOCXBDSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001571204829 953032202 /nfs/dbraw/zinc/03/22/02/953032202.db2.gz CEXAISOKTNVHBL-OLZOCXBDSA-N -1 3 382.432 0.592 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571204713 953032378 /nfs/dbraw/zinc/03/23/78/953032378.db2.gz CSONJALVUJCOPA-OVSNFEJUSA-N -1 3 382.428 0.001 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571204713 953032383 /nfs/dbraw/zinc/03/23/83/953032383.db2.gz CSONJALVUJCOPA-OVSNFEJUSA-N -1 3 382.428 0.001 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571204714 953032906 /nfs/dbraw/zinc/03/29/06/953032906.db2.gz CSONJALVUJCOPA-OXRQTFEDSA-N -1 3 382.428 0.001 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571204714 953032912 /nfs/dbraw/zinc/03/29/12/953032912.db2.gz CSONJALVUJCOPA-OXRQTFEDSA-N -1 3 382.428 0.001 20 0 GCADHM Cn1nccc1C1(O)CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571205069 953034582 /nfs/dbraw/zinc/03/45/82/953034582.db2.gz GDCXLRJRLYAIPY-UHFFFAOYSA-N -1 3 382.428 0.522 20 0 GCADHM Cn1nccc1C1(O)CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571205069 953034588 /nfs/dbraw/zinc/03/45/88/953034588.db2.gz GDCXLRJRLYAIPY-UHFFFAOYSA-N -1 3 382.428 0.522 20 0 GCADHM CCCc1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571205136 953036260 /nfs/dbraw/zinc/03/62/60/953036260.db2.gz FZQNMQMJRZKSON-IINYFYTJSA-N -1 3 382.432 0.905 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571205158 953036549 /nfs/dbraw/zinc/03/65/49/953036549.db2.gz GRRZCAIALQYTFR-YPMHNXCESA-N -1 3 382.432 0.836 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571205158 953036551 /nfs/dbraw/zinc/03/65/51/953036551.db2.gz GRRZCAIALQYTFR-YPMHNXCESA-N -1 3 382.432 0.836 20 0 GCADHM C[C@H]1C[C@H](NC(=O)c2cnn(C)c2N)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571205210 953037536 /nfs/dbraw/zinc/03/75/36/953037536.db2.gz HOUKMGHWSLKKGB-CMPLNLGQSA-N -1 3 382.432 0.365 20 0 GCADHM C[C@H]1C[C@H](NC(=O)c2cnn(C)c2N)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571205210 953037540 /nfs/dbraw/zinc/03/75/40/953037540.db2.gz HOUKMGHWSLKKGB-CMPLNLGQSA-N -1 3 382.432 0.365 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571205384 953038268 /nfs/dbraw/zinc/03/82/68/953038268.db2.gz IPTRSKMLWLHXKJ-FPMFFAJLSA-N -1 3 382.428 0.110 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571205384 953038271 /nfs/dbraw/zinc/03/82/71/953038271.db2.gz IPTRSKMLWLHXKJ-FPMFFAJLSA-N -1 3 382.428 0.110 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571205647 953040086 /nfs/dbraw/zinc/04/00/86/953040086.db2.gz MJHFWKNCOOARQF-PWSUYJOCSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571205647 953040088 /nfs/dbraw/zinc/04/00/88/953040088.db2.gz MJHFWKNCOOARQF-PWSUYJOCSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001571205735 953041289 /nfs/dbraw/zinc/04/12/89/953041289.db2.gz LEQVBRIMVCWJNS-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001571205735 953041293 /nfs/dbraw/zinc/04/12/93/953041293.db2.gz LEQVBRIMVCWJNS-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)c(C)n2)nn1 ZINC001571205701 953041436 /nfs/dbraw/zinc/04/14/36/953041436.db2.gz NCYAIAKRXPCSFP-LBPRGKRZSA-N -1 3 382.432 0.898 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)c(C)n2)nn1 ZINC001571205701 953041441 /nfs/dbraw/zinc/04/14/41/953041441.db2.gz NCYAIAKRXPCSFP-LBPRGKRZSA-N -1 3 382.432 0.898 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cn(C)nn2)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571205812 953042003 /nfs/dbraw/zinc/04/20/03/953042003.db2.gz BIOVLOYABWWETF-GFCCVEGCSA-N -1 3 382.432 0.379 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cn(C)nn2)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571205812 953042006 /nfs/dbraw/zinc/04/20/06/953042006.db2.gz BIOVLOYABWWETF-GFCCVEGCSA-N -1 3 382.432 0.379 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571205793 953042186 /nfs/dbraw/zinc/04/21/86/953042186.db2.gz BEXAFLBTOSQHDS-CYBMUJFWSA-N -1 3 382.432 0.255 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571205793 953042191 /nfs/dbraw/zinc/04/21/91/953042191.db2.gz BEXAFLBTOSQHDS-CYBMUJFWSA-N -1 3 382.432 0.255 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)Cc2cncn2C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571205889 953043090 /nfs/dbraw/zinc/04/30/90/953043090.db2.gz NMZZLKUWTSZXTD-NEPJUHHUSA-N -1 3 382.432 0.106 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571205899 953043710 /nfs/dbraw/zinc/04/37/10/953043710.db2.gz NWPWXCUZVRZEDS-NEPJUHHUSA-N -1 3 382.432 0.662 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CC[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571205902 953043959 /nfs/dbraw/zinc/04/39/59/953043959.db2.gz NWPWXCUZVRZEDS-VXGBXAGGSA-N -1 3 382.432 0.662 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571205848 953044193 /nfs/dbraw/zinc/04/41/93/953044193.db2.gz CBSRQCXJJHIIJG-RYUDHWBXSA-N -1 3 382.432 0.884 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571205848 953044194 /nfs/dbraw/zinc/04/41/94/953044194.db2.gz CBSRQCXJJHIIJG-RYUDHWBXSA-N -1 3 382.432 0.884 20 0 GCADHM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1ccnc1 ZINC001571205980 953044568 /nfs/dbraw/zinc/04/45/68/953044568.db2.gz PUKPNMFOYAESSV-ZDUSSCGKSA-N -1 3 382.432 0.543 20 0 GCADHM C[C@@H](CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1ccnc1 ZINC001571205980 953044570 /nfs/dbraw/zinc/04/45/70/953044570.db2.gz PUKPNMFOYAESSV-ZDUSSCGKSA-N -1 3 382.432 0.543 20 0 GCADHM CCn1ncc(CN2C[C@@H]3CCN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)n1 ZINC001571206058 953046283 /nfs/dbraw/zinc/04/62/83/953046283.db2.gz CVDDTYPSVORXSD-XHDPSFHLSA-N -1 3 382.432 0.153 20 0 GCADHM CCn1ncc(CN2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)n1 ZINC001571206058 953046288 /nfs/dbraw/zinc/04/62/88/953046288.db2.gz CVDDTYPSVORXSD-XHDPSFHLSA-N -1 3 382.432 0.153 20 0 GCADHM CN(C(=O)C(C)(C)c1cnc[nH]1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206092 953046713 /nfs/dbraw/zinc/04/67/13/953046713.db2.gz CYRSJTISFGYJJI-LLVKDONJSA-N -1 3 382.432 0.395 20 0 GCADHM CN(C(=O)C(C)(C)c1cnc[nH]1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206092 953046715 /nfs/dbraw/zinc/04/67/15/953046715.db2.gz CYRSJTISFGYJJI-LLVKDONJSA-N -1 3 382.432 0.395 20 0 GCADHM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001571206350 953050085 /nfs/dbraw/zinc/05/00/85/953050085.db2.gz UDKACCQXTRWBPP-RISCZKNCSA-N -1 3 382.432 0.804 20 0 GCADHM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001571206350 953050089 /nfs/dbraw/zinc/05/00/89/953050089.db2.gz UDKACCQXTRWBPP-RISCZKNCSA-N -1 3 382.432 0.804 20 0 GCADHM Cc1noc(CCC(=O)N2CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC001571206497 953051763 /nfs/dbraw/zinc/05/17/63/953051763.db2.gz QHGQVQLIOPOLQW-UHFFFAOYSA-N -1 3 382.428 0.835 20 0 GCADHM Cc1noc(CCC(=O)N2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC001571206497 953051767 /nfs/dbraw/zinc/05/17/67/953051767.db2.gz QHGQVQLIOPOLQW-UHFFFAOYSA-N -1 3 382.428 0.835 20 0 GCADHM O=C(Cc1ccc[nH]1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571206519 953052289 /nfs/dbraw/zinc/05/22/89/953052289.db2.gz QONFNQAAVMHARG-OAHLLOKOSA-N -1 3 382.428 0.862 20 0 GCADHM O=C(Cc1ccc[nH]1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571206519 953052290 /nfs/dbraw/zinc/05/22/90/953052290.db2.gz QONFNQAAVMHARG-OAHLLOKOSA-N -1 3 382.428 0.862 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571206499 953052296 /nfs/dbraw/zinc/05/22/96/953052296.db2.gz VBZQQPLGMPTZKN-AAEUAGOBSA-N -1 3 382.432 0.662 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571206499 953052297 /nfs/dbraw/zinc/05/22/97/953052297.db2.gz VBZQQPLGMPTZKN-AAEUAGOBSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](NC(=O)c1cn(C)nn1)[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571206482 953052383 /nfs/dbraw/zinc/05/23/83/953052383.db2.gz UXVGSNOUDZKZLN-RYUDHWBXSA-N -1 3 382.432 0.425 20 0 GCADHM C[C@H](NC(=O)c1cn(C)nn1)[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571206482 953052387 /nfs/dbraw/zinc/05/23/87/953052387.db2.gz UXVGSNOUDZKZLN-RYUDHWBXSA-N -1 3 382.432 0.425 20 0 GCADHM O=C(c1cc[nH]c1)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571206622 953053187 /nfs/dbraw/zinc/05/31/87/953053187.db2.gz SADWRJRTFSUVFN-OAHLLOKOSA-N -1 3 382.428 0.693 20 0 GCADHM O=C(c1cc[nH]c1)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571206622 953053188 /nfs/dbraw/zinc/05/31/88/953053188.db2.gz SADWRJRTFSUVFN-OAHLLOKOSA-N -1 3 382.428 0.693 20 0 GCADHM CCc1cc(C(=O)N2C[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)[C@H](C)C2)[nH]n1 ZINC001571206575 953053214 /nfs/dbraw/zinc/05/32/14/953053214.db2.gz VLOSDVCCDQULQY-GHMZBOCLSA-N -1 3 382.432 0.762 20 0 GCADHM CCc1cc(C(=O)N2C[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)[C@H](C)C2)[nH]n1 ZINC001571206575 953053215 /nfs/dbraw/zinc/05/32/15/953053215.db2.gz VLOSDVCCDQULQY-GHMZBOCLSA-N -1 3 382.432 0.762 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@H]2C)nnn1C ZINC001571206775 953054877 /nfs/dbraw/zinc/05/48/77/953054877.db2.gz KOMLPJCLFYUFRF-MFKMUULPSA-N -1 3 382.432 0.804 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@H]2C)nnn1C ZINC001571206775 953054881 /nfs/dbraw/zinc/05/48/81/953054881.db2.gz KOMLPJCLFYUFRF-MFKMUULPSA-N -1 3 382.432 0.804 20 0 GCADHM CCn1nccc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@H]1C ZINC001571206782 953055062 /nfs/dbraw/zinc/05/50/62/953055062.db2.gz KRJGMLUHFVRRHW-NEPJUHHUSA-N -1 3 382.432 0.978 20 0 GCADHM CCn1nccc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C[C@H]1C ZINC001571206782 953055063 /nfs/dbraw/zinc/05/50/63/953055063.db2.gz KRJGMLUHFVRRHW-NEPJUHHUSA-N -1 3 382.432 0.978 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571206751 953055088 /nfs/dbraw/zinc/05/50/88/953055088.db2.gz XBYDDOZBCXZKFR-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571206751 953055092 /nfs/dbraw/zinc/05/50/92/953055092.db2.gz XBYDDOZBCXZKFR-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)nn3)C2)[nH]n1 ZINC001571206719 953055445 /nfs/dbraw/zinc/05/54/45/953055445.db2.gz WUDFDYMVMLNKMQ-JQWIXIFHSA-N -1 3 382.432 0.953 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)[nH]n1 ZINC001571206719 953055451 /nfs/dbraw/zinc/05/54/51/953055451.db2.gz WUDFDYMVMLNKMQ-JQWIXIFHSA-N -1 3 382.432 0.953 20 0 GCADHM C[C@H](C(=O)N(C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001571206915 953057220 /nfs/dbraw/zinc/05/72/20/953057220.db2.gz SYDLRVUMYHXHLD-GFCCVEGCSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N(C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001571206915 953057226 /nfs/dbraw/zinc/05/72/26/953057226.db2.gz SYDLRVUMYHXHLD-GFCCVEGCSA-N -1 3 382.432 0.542 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571206931 953057661 /nfs/dbraw/zinc/05/76/61/953057661.db2.gz UBKVDFFIBJTELO-RBSFLKMASA-N -1 3 382.428 0.110 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571206931 953057665 /nfs/dbraw/zinc/05/76/65/953057665.db2.gz UBKVDFFIBJTELO-RBSFLKMASA-N -1 3 382.428 0.110 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571207015 953057862 /nfs/dbraw/zinc/05/78/62/953057862.db2.gz ZTHORPFIKMADSK-CHWSQXEVSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571207015 953057866 /nfs/dbraw/zinc/05/78/66/953057866.db2.gz ZTHORPFIKMADSK-CHWSQXEVSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206990 953058167 /nfs/dbraw/zinc/05/81/67/953058167.db2.gz YZQZYCWJCFNRAE-TZMCWYRMSA-N -1 3 382.432 0.592 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)CCn3ccnc3)C[C@H]2C)n1 ZINC001571207094 953059011 /nfs/dbraw/zinc/05/90/11/953059011.db2.gz MXUPEUSFYYOPGK-BXUZGUMPSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)CCn3ccnc3)C[C@H]2C)n1 ZINC001571207094 953059014 /nfs/dbraw/zinc/05/90/14/953059014.db2.gz MXUPEUSFYYOPGK-BXUZGUMPSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N[C@H]2CN(C(=O)Cc3cc[nH]n3)CC2(C)C)n1 ZINC001571207077 953059370 /nfs/dbraw/zinc/05/93/70/953059370.db2.gz MRBZUQFKCBBBKX-ZDUSSCGKSA-N -1 3 382.432 0.580 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CN(C(=O)Cc3cc[nH]n3)CC2(C)C)n1 ZINC001571207077 953059373 /nfs/dbraw/zinc/05/93/73/953059373.db2.gz MRBZUQFKCBBBKX-ZDUSSCGKSA-N -1 3 382.432 0.580 20 0 GCADHM Cc1c(C(=O)N2CCC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)nnn1C ZINC001571207253 953060932 /nfs/dbraw/zinc/06/09/32/953060932.db2.gz PAVXTZHSHRJQLO-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1c(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)nnn1C ZINC001571207253 953060937 /nfs/dbraw/zinc/06/09/37/953060937.db2.gz PAVXTZHSHRJQLO-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571207267 953061199 /nfs/dbraw/zinc/06/11/99/953061199.db2.gz PHZJWJUNUMVERB-GFCCVEGCSA-N -1 3 382.432 0.581 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571207414 953062982 /nfs/dbraw/zinc/06/29/82/953062982.db2.gz RBPNHJUOUYNTOC-UHFFFAOYSA-N -1 3 382.432 0.724 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571207445 953063355 /nfs/dbraw/zinc/06/33/55/953063355.db2.gz RSUVUVCDMSTMNY-NEPJUHHUSA-N -1 3 382.432 0.628 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571207445 953063357 /nfs/dbraw/zinc/06/33/57/953063357.db2.gz RSUVUVCDMSTMNY-NEPJUHHUSA-N -1 3 382.432 0.628 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1 ZINC001571207625 953065591 /nfs/dbraw/zinc/06/55/91/953065591.db2.gz YGAKWIMDKZBCRZ-CQSZACIVSA-N -1 3 382.432 0.060 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1 ZINC001571207625 953065593 /nfs/dbraw/zinc/06/55/93/953065593.db2.gz YGAKWIMDKZBCRZ-CQSZACIVSA-N -1 3 382.432 0.060 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)c1N ZINC001571209937 953068401 /nfs/dbraw/zinc/06/84/01/953068401.db2.gz JMFOLYMXYHDRNF-CMPLNLGQSA-N -1 3 382.432 0.588 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)c1N ZINC001571209937 953068406 /nfs/dbraw/zinc/06/84/06/953068406.db2.gz JMFOLYMXYHDRNF-CMPLNLGQSA-N -1 3 382.432 0.588 20 0 GCADHM Cn1ncc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571210647 953074493 /nfs/dbraw/zinc/07/44/93/953074493.db2.gz VGESZHGSMMXONG-HUUCEWRRSA-N -1 3 382.432 0.202 20 0 GCADHM Cn1ncc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571210647 953074497 /nfs/dbraw/zinc/07/44/97/953074497.db2.gz VGESZHGSMMXONG-HUUCEWRRSA-N -1 3 382.432 0.202 20 0 GCADHM Cn1cc(CCC(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571211444 953075999 /nfs/dbraw/zinc/07/59/99/953075999.db2.gz ATQRCUVVNQDHGQ-CYBMUJFWSA-N -1 3 382.432 0.426 20 0 GCADHM Cn1cc(CCC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571211444 953076004 /nfs/dbraw/zinc/07/60/04/953076004.db2.gz ATQRCUVVNQDHGQ-CYBMUJFWSA-N -1 3 382.432 0.426 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](C)[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)[nH]n1 ZINC001571211435 953076740 /nfs/dbraw/zinc/07/67/40/953076740.db2.gz ANHLDIVGAFQFAZ-ZYHUDNBSSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](C)[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)[nH]n1 ZINC001571211435 953076745 /nfs/dbraw/zinc/07/67/45/953076745.db2.gz ANHLDIVGAFQFAZ-ZYHUDNBSSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)[nH]n1 ZINC001571211608 953078976 /nfs/dbraw/zinc/07/89/76/953078976.db2.gz CCGNGEFACHOFTR-CMPLNLGQSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)[nH]n1 ZINC001571211608 953078979 /nfs/dbraw/zinc/07/89/79/953078979.db2.gz CCGNGEFACHOFTR-CMPLNLGQSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571211634 953079513 /nfs/dbraw/zinc/07/95/13/953079513.db2.gz DFDHMJVECWJTER-DGCLKSJQSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571211634 953079520 /nfs/dbraw/zinc/07/95/20/953079520.db2.gz DFDHMJVECWJTER-DGCLKSJQSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(CNC(=O)c3ncn(C)n3)CC2)n1 ZINC001571211630 953079587 /nfs/dbraw/zinc/07/95/87/953079587.db2.gz DBWFNSZQCDZQKY-UHFFFAOYSA-N -1 3 382.432 0.345 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(CNC(=O)c3ncn(C)n3)CC2)n1 ZINC001571211630 953079591 /nfs/dbraw/zinc/07/95/91/953079591.db2.gz DBWFNSZQCDZQKY-UHFFFAOYSA-N -1 3 382.432 0.345 20 0 GCADHM Cc1nnc(CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)[nH]1 ZINC001571211681 953079670 /nfs/dbraw/zinc/07/96/70/953079670.db2.gz FMRUZMYSITXXPJ-CYBMUJFWSA-N -1 3 382.432 0.724 20 0 GCADHM O=C1C[C@]2(NS(=O)(=O)Cc3csc(-c4nnn[n-]4)c3)CCCC[C@@H]2N1 ZINC001571211772 953080537 /nfs/dbraw/zinc/08/05/37/953080537.db2.gz FZUUWKOGNLHSEV-SMDDNHRTSA-N -1 3 382.471 0.549 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)Nc2ccnc(-c3nnn[n-]3)n2)[nH]n1 ZINC001571211864 953081217 /nfs/dbraw/zinc/08/12/17/953081217.db2.gz HPDNPNLUJIIFRM-AAEUAGOBSA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)Nc2ccnc(-c3nnn[n-]3)n2)n[nH]1 ZINC001571211864 953081221 /nfs/dbraw/zinc/08/12/21/953081221.db2.gz HPDNPNLUJIIFRM-AAEUAGOBSA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571211864 953081223 /nfs/dbraw/zinc/08/12/23/953081223.db2.gz HPDNPNLUJIIFRM-AAEUAGOBSA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n[nH]1 ZINC001571211864 953081227 /nfs/dbraw/zinc/08/12/27/953081227.db2.gz HPDNPNLUJIIFRM-AAEUAGOBSA-N -1 3 382.432 0.605 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)Cn3cncn3)[C@@H]2C)n1 ZINC001571211927 953082851 /nfs/dbraw/zinc/08/28/51/953082851.db2.gz ISUUPQCASPVAQE-GXTWGEPZSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)Cn3cncn3)[C@@H]2C)n1 ZINC001571211927 953082856 /nfs/dbraw/zinc/08/28/56/953082856.db2.gz ISUUPQCASPVAQE-GXTWGEPZSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nc(C)c(C(=O)N2CC[C@](C)(CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]1 ZINC001571212365 953087255 /nfs/dbraw/zinc/08/72/55/953087255.db2.gz MQEKCCWDWJKNLI-QGZVFWFLSA-N -1 3 382.432 0.961 20 0 GCADHM Cc1nnc(CC(=O)N(C)[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571212782 953090742 /nfs/dbraw/zinc/09/07/42/953090742.db2.gz PBXBCVKKUSJARV-GFCCVEGCSA-N -1 3 382.432 0.276 20 0 GCADHM Cc1nnc(CC(=O)N(C)[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571212782 953090746 /nfs/dbraw/zinc/09/07/46/953090746.db2.gz PBXBCVKKUSJARV-GFCCVEGCSA-N -1 3 382.432 0.276 20 0 GCADHM Cc1nc(N[C@@H]2CCC[C@H](NC(=O)Cn3cncn3)C2)ccc1-c1nnn[n-]1 ZINC001571213012 953092716 /nfs/dbraw/zinc/09/27/16/953092716.db2.gz PSHBBWQLVOTVBB-OLZOCXBDSA-N -1 3 382.432 0.701 20 0 GCADHM Cc1nc(N[C@@H]2CCC[C@H](NC(=O)Cn3cncn3)C2)ccc1-c1nn[n-]n1 ZINC001571213012 953092719 /nfs/dbraw/zinc/09/27/19/953092719.db2.gz PSHBBWQLVOTVBB-OLZOCXBDSA-N -1 3 382.432 0.701 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)c1N ZINC001571213203 953093528 /nfs/dbraw/zinc/09/35/28/953093528.db2.gz RZFFNKBAKFVREI-GWCFXTLKSA-N -1 3 382.432 0.588 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)c1N ZINC001571213203 953093533 /nfs/dbraw/zinc/09/35/33/953093533.db2.gz RZFFNKBAKFVREI-GWCFXTLKSA-N -1 3 382.432 0.588 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)[nH]1 ZINC001571213809 953097918 /nfs/dbraw/zinc/09/79/18/953097918.db2.gz WEZUYBVNZVPIDK-LBPRGKRZSA-N -1 3 382.432 0.642 20 0 GCADHM CC1(C(=O)N2CCN([C@H]3CCN(c4ccc(-c5nnn[n-]5)nc4)C3)CC2)CC1 ZINC001571214091 953099491 /nfs/dbraw/zinc/09/94/91/953099491.db2.gz WQIZKCUNLFPWJZ-HNNXBMFYSA-N -1 3 382.472 0.785 20 0 GCADHM CC1(C(=O)N2CCN([C@H]3CCN(c4ccc(-c5nn[n-]n5)nc4)C3)CC2)CC1 ZINC001571214091 953099494 /nfs/dbraw/zinc/09/94/94/953099494.db2.gz WQIZKCUNLFPWJZ-HNNXBMFYSA-N -1 3 382.472 0.785 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001571214157 953100479 /nfs/dbraw/zinc/10/04/79/953100479.db2.gz YPYTZTDOPIOLRZ-YPMHNXCESA-N -1 3 382.432 0.791 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001571214157 953100481 /nfs/dbraw/zinc/10/04/81/953100481.db2.gz YPYTZTDOPIOLRZ-YPMHNXCESA-N -1 3 382.432 0.791 20 0 GCADHM O=C(Cc1ccccc1F)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571217032 953105240 /nfs/dbraw/zinc/10/52/40/953105240.db2.gz FCOBSWQKOYDTIY-ZDUSSCGKSA-N -1 3 383.387 0.907 20 0 GCADHM O=C(Cc1ccccc1F)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571217032 953105242 /nfs/dbraw/zinc/10/52/42/953105242.db2.gz FCOBSWQKOYDTIY-ZDUSSCGKSA-N -1 3 383.387 0.907 20 0 GCADHM Cn1ccc(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)cc1=O ZINC001571217090 953105694 /nfs/dbraw/zinc/10/56/94/953105694.db2.gz GHOCZJPDWMTBGH-LBPRGKRZSA-N -1 3 383.387 0.713 20 0 GCADHM Cn1ccc(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)cc1=O ZINC001571217090 953105695 /nfs/dbraw/zinc/10/56/95/953105695.db2.gz GHOCZJPDWMTBGH-LBPRGKRZSA-N -1 3 383.387 0.713 20 0 GCADHM CCn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(-c3nnn[n-]3)cc2F)c1 ZINC001571217306 953107104 /nfs/dbraw/zinc/10/71/04/953107104.db2.gz ICLBJZJEGOUPTA-RYUDHWBXSA-N -1 3 383.391 0.721 20 0 GCADHM CCn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(-c3nn[n-]n3)cc2F)c1 ZINC001571217306 953107109 /nfs/dbraw/zinc/10/71/09/953107109.db2.gz ICLBJZJEGOUPTA-RYUDHWBXSA-N -1 3 383.391 0.721 20 0 GCADHM C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001571217563 953109336 /nfs/dbraw/zinc/10/93/36/953109336.db2.gz NPADVAAYPIYKDR-JOYOIKCWSA-N -1 3 383.391 0.951 20 0 GCADHM C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001571217563 953109339 /nfs/dbraw/zinc/10/93/39/953109339.db2.gz NPADVAAYPIYKDR-JOYOIKCWSA-N -1 3 383.391 0.951 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571217638 953110206 /nfs/dbraw/zinc/11/02/06/953110206.db2.gz GQDLTJBEMKODDG-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571217638 953110207 /nfs/dbraw/zinc/11/02/07/953110207.db2.gz GQDLTJBEMKODDG-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@]2(CCN(c3cnc(F)cn3)C2)C1 ZINC001571218569 953117213 /nfs/dbraw/zinc/11/72/13/953117213.db2.gz BRDOOAGYEPUCMV-KRWDZBQOSA-N -1 3 383.391 0.867 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@]2(CCN(c3cnc(F)cn3)C2)C1 ZINC001571218569 953117215 /nfs/dbraw/zinc/11/72/15/953117215.db2.gz BRDOOAGYEPUCMV-KRWDZBQOSA-N -1 3 383.391 0.867 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)cc1F ZINC001571218663 953117937 /nfs/dbraw/zinc/11/79/37/953117937.db2.gz XYPMLEGTXUYLCD-HZPDHXFCSA-N -1 3 383.387 0.689 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)cc1F ZINC001571218663 953117939 /nfs/dbraw/zinc/11/79/39/953117939.db2.gz XYPMLEGTXUYLCD-HZPDHXFCSA-N -1 3 383.387 0.689 20 0 GCADHM CC1(C)CN(C(=O)Cc2ccco2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571218916 953120674 /nfs/dbraw/zinc/12/06/74/953120674.db2.gz GURPHWVDXHJVTC-CQSZACIVSA-N -1 3 383.412 0.997 20 0 GCADHM CC1(C)CN(C(=O)Cc2ccco2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571218916 953120675 /nfs/dbraw/zinc/12/06/75/953120675.db2.gz GURPHWVDXHJVTC-CQSZACIVSA-N -1 3 383.412 0.997 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571219380 953124977 /nfs/dbraw/zinc/12/49/77/953124977.db2.gz YKRXTTMJKMMDKV-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571219380 953124980 /nfs/dbraw/zinc/12/49/80/953124980.db2.gz YKRXTTMJKMMDKV-SNVBAGLBSA-N -1 3 383.359 0.197 20 0 GCADHM Cn1cncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1F ZINC001571219545 953125557 /nfs/dbraw/zinc/12/55/57/953125557.db2.gz PUGPZVZXPNEBPM-WXHSDQCUSA-N -1 3 383.391 0.674 20 0 GCADHM Cn1cncc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1F ZINC001571219545 953125558 /nfs/dbraw/zinc/12/55/58/953125558.db2.gz PUGPZVZXPNEBPM-WXHSDQCUSA-N -1 3 383.391 0.674 20 0 GCADHM CCc1nnc(NCCN(C)CCS(C)(=O)=O)c(-c2nnn[n-]2)c1CC ZINC001571219586 953126750 /nfs/dbraw/zinc/12/67/50/953126750.db2.gz ZZRAUQOYHCXXOR-UHFFFAOYSA-N -1 3 382.494 0.170 20 0 GCADHM CCc1nnc(NCCN(C)CCS(C)(=O)=O)c(-c2nn[n-]n2)c1CC ZINC001571219586 953126752 /nfs/dbraw/zinc/12/67/52/953126752.db2.gz ZZRAUQOYHCXXOR-UHFFFAOYSA-N -1 3 382.494 0.170 20 0 GCADHM Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(F)ccc2-c2nnn[n-]2)nn1 ZINC001571219755 953127323 /nfs/dbraw/zinc/12/73/23/953127323.db2.gz RZTNPHVSTQGBQM-STQMWFEESA-N -1 3 383.391 0.233 20 0 GCADHM Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(F)ccc2-c2nn[n-]n2)nn1 ZINC001571219755 953127326 /nfs/dbraw/zinc/12/73/26/953127326.db2.gz RZTNPHVSTQGBQM-STQMWFEESA-N -1 3 383.391 0.233 20 0 GCADHM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001571219942 953128129 /nfs/dbraw/zinc/12/81/29/953128129.db2.gz UMAZYENWAMMKEK-PWSUYJOCSA-N -1 3 383.405 0.767 20 0 GCADHM COC(=O)[C@@H]1CC[C@H](S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571219942 953128132 /nfs/dbraw/zinc/12/81/32/953128132.db2.gz UMAZYENWAMMKEK-PWSUYJOCSA-N -1 3 383.405 0.767 20 0 GCADHM CCn1nccc1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571222290 953133283 /nfs/dbraw/zinc/13/32/83/953133283.db2.gz DGESZEXEJVNASO-XYPYZODXSA-N -1 3 383.416 0.350 20 0 GCADHM CCn1nccc1C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571222290 953133285 /nfs/dbraw/zinc/13/32/85/953133285.db2.gz DGESZEXEJVNASO-XYPYZODXSA-N -1 3 383.416 0.350 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)c1ccnn1C ZINC001571222310 953133516 /nfs/dbraw/zinc/13/35/16/953133516.db2.gz GGHIGJMYPOCFCJ-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)c1ccnn1C ZINC001571222310 953133519 /nfs/dbraw/zinc/13/35/19/953133519.db2.gz GGHIGJMYPOCFCJ-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001571222320 953133644 /nfs/dbraw/zinc/13/36/44/953133644.db2.gz GHZGNJRLHCYRJI-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001571222320 953133645 /nfs/dbraw/zinc/13/36/45/953133645.db2.gz GHZGNJRLHCYRJI-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)n1 ZINC001571222361 953134197 /nfs/dbraw/zinc/13/41/97/953134197.db2.gz FBOZQOOCWBUSBE-ZYHUDNBSSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)n1 ZINC001571222361 953134199 /nfs/dbraw/zinc/13/41/99/953134199.db2.gz FBOZQOOCWBUSBE-ZYHUDNBSSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)n1 ZINC001571222355 953134239 /nfs/dbraw/zinc/13/42/39/953134239.db2.gz FBOZQOOCWBUSBE-CMPLNLGQSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)n1 ZINC001571222355 953134240 /nfs/dbraw/zinc/13/42/40/953134240.db2.gz FBOZQOOCWBUSBE-CMPLNLGQSA-N -1 3 383.416 0.649 20 0 GCADHM CCc1noc(CN2C[C@@H]3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)n1 ZINC001571222346 953134269 /nfs/dbraw/zinc/13/42/69/953134269.db2.gz DTVVROBEYJUNCR-GXFFZTMASA-N -1 3 383.416 0.487 20 0 GCADHM CCc1noc(CN2C[C@@H]3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)n1 ZINC001571222346 953134270 /nfs/dbraw/zinc/13/42/70/953134270.db2.gz DTVVROBEYJUNCR-GXFFZTMASA-N -1 3 383.416 0.487 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)Cn1ccnc1 ZINC001571222384 953134283 /nfs/dbraw/zinc/13/42/83/953134283.db2.gz HMQHPLLZNZDEIE-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)Cn1ccnc1 ZINC001571222384 953134284 /nfs/dbraw/zinc/13/42/84/953134284.db2.gz HMQHPLLZNZDEIE-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001571222452 953134672 /nfs/dbraw/zinc/13/46/72/953134672.db2.gz GBOJVYOONYNYMF-SNVBAGLBSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001571222452 953134675 /nfs/dbraw/zinc/13/46/75/953134675.db2.gz GBOJVYOONYNYMF-SNVBAGLBSA-N -1 3 383.416 0.589 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001571222573 953135663 /nfs/dbraw/zinc/13/56/63/953135663.db2.gz HNPMUANDEOSZBA-UHFFFAOYSA-N -1 3 383.416 0.509 20 0 GCADHM CCc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC001571222611 953137004 /nfs/dbraw/zinc/13/70/04/953137004.db2.gz JXJYYBIIAGIZKB-TXEJJXNPSA-N -1 3 383.416 0.182 20 0 GCADHM CCc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC001571222611 953137006 /nfs/dbraw/zinc/13/70/06/953137006.db2.gz JXJYYBIIAGIZKB-TXEJJXNPSA-N -1 3 383.416 0.182 20 0 GCADHM CCn1cnc(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571222742 953137562 /nfs/dbraw/zinc/13/75/62/953137562.db2.gz KTUUKIZRAROJKQ-SNVBAGLBSA-N -1 3 383.416 0.302 20 0 GCADHM CCn1cnc(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571222742 953137564 /nfs/dbraw/zinc/13/75/64/953137564.db2.gz KTUUKIZRAROJKQ-SNVBAGLBSA-N -1 3 383.416 0.302 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222740 953137714 /nfs/dbraw/zinc/13/77/14/953137714.db2.gz KTFDNTFXYBFTHQ-VIFPVBQESA-N -1 3 383.416 0.371 20 0 GCADHM CCc1nc[nH]c1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222740 953137717 /nfs/dbraw/zinc/13/77/17/953137717.db2.gz KTFDNTFXYBFTHQ-VIFPVBQESA-N -1 3 383.416 0.371 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)Cc1cnc[nH]1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571222759 953138443 /nfs/dbraw/zinc/13/84/43/953138443.db2.gz LGMRGOQSTQQSGI-ZDUSSCGKSA-N -1 3 383.416 0.224 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)n1 ZINC001571222821 953138558 /nfs/dbraw/zinc/13/85/58/953138558.db2.gz LODHNDQBWLYSAE-KGLIPLIRSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)n1 ZINC001571222821 953138561 /nfs/dbraw/zinc/13/85/61/953138561.db2.gz LODHNDQBWLYSAE-KGLIPLIRSA-N -1 3 383.416 0.019 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C)n1cccn1 ZINC001571222801 953138835 /nfs/dbraw/zinc/13/88/35/953138835.db2.gz LJJCKMOERLOVEP-WZRBSPASSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C)n1cccn1 ZINC001571222801 953138840 /nfs/dbraw/zinc/13/88/40/953138840.db2.gz LJJCKMOERLOVEP-WZRBSPASSA-N -1 3 383.416 0.372 20 0 GCADHM CCn1cc(C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cn1 ZINC001571222749 953138997 /nfs/dbraw/zinc/13/89/97/953138997.db2.gz KXCHGKNQRAUJKJ-UHFFFAOYSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1cc(C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC001571222749 953139001 /nfs/dbraw/zinc/13/90/01/953139001.db2.gz KXCHGKNQRAUJKJ-UHFFFAOYSA-N -1 3 383.416 0.446 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2COC(=O)C2)n1 ZINC001571222904 953139433 /nfs/dbraw/zinc/13/94/33/953139433.db2.gz NDQAXGIWOUQRMU-AVGNSLFASA-N -1 3 383.412 0.313 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2COC(=O)C2)n1 ZINC001571222904 953139436 /nfs/dbraw/zinc/13/94/36/953139436.db2.gz NDQAXGIWOUQRMU-AVGNSLFASA-N -1 3 383.412 0.313 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC001571222849 953139489 /nfs/dbraw/zinc/13/94/89/953139489.db2.gz NBADTQMCRGTTCB-MWLCHTKSSA-N -1 3 383.416 0.819 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC001571222849 953139492 /nfs/dbraw/zinc/13/94/92/953139492.db2.gz NBADTQMCRGTTCB-MWLCHTKSSA-N -1 3 383.416 0.819 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571222838 953139633 /nfs/dbraw/zinc/13/96/33/953139633.db2.gz LYINYMGEPRDXKY-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571222838 953139635 /nfs/dbraw/zinc/13/96/35/953139635.db2.gz LYINYMGEPRDXKY-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)[C@@H]2C)nn1C ZINC001571222855 953139681 /nfs/dbraw/zinc/13/96/81/953139681.db2.gz NCDXFGSHTQQPDC-PWSUYJOCSA-N -1 3 383.416 0.401 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)[C@@H]2C)nn1C ZINC001571222855 953139686 /nfs/dbraw/zinc/13/96/86/953139686.db2.gz NCDXFGSHTQQPDC-PWSUYJOCSA-N -1 3 383.416 0.401 20 0 GCADHM CCCc1n[nH]cc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222827 953139897 /nfs/dbraw/zinc/13/98/97/953139897.db2.gz LQCPYWTVBBLTQY-NSHDSACASA-N -1 3 383.416 0.515 20 0 GCADHM CCCc1n[nH]cc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222827 953139901 /nfs/dbraw/zinc/13/99/01/953139901.db2.gz LQCPYWTVBBLTQY-NSHDSACASA-N -1 3 383.416 0.515 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571222924 953140875 /nfs/dbraw/zinc/14/08/75/953140875.db2.gz NRKIJJXBSLQYAB-UHFFFAOYSA-N -1 3 383.416 0.190 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571222924 953140877 /nfs/dbraw/zinc/14/08/77/953140877.db2.gz NRKIJJXBSLQYAB-UHFFFAOYSA-N -1 3 383.416 0.190 20 0 GCADHM CCc1cc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)nn1C ZINC001571223137 953141247 /nfs/dbraw/zinc/14/12/47/953141247.db2.gz OEZZSHACIWWKTN-UHFFFAOYSA-N -1 3 383.416 0.089 20 0 GCADHM CCc1cc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)nn1C ZINC001571223137 953141248 /nfs/dbraw/zinc/14/12/48/953141248.db2.gz OEZZSHACIWWKTN-UHFFFAOYSA-N -1 3 383.416 0.089 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)[nH]n1 ZINC001571223131 953141541 /nfs/dbraw/zinc/14/15/41/953141541.db2.gz OAIZHTYTVUJQOH-CABZTGNLSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)[nH]n1 ZINC001571223131 953141543 /nfs/dbraw/zinc/14/15/43/953141543.db2.gz OAIZHTYTVUJQOH-CABZTGNLSA-N -1 3 383.416 0.513 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1Cc1nnc(C2CC2)o1 ZINC001571223243 953142307 /nfs/dbraw/zinc/14/23/07/953142307.db2.gz RIWVLUYMBYTONZ-KOLCDFICSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1Cc1nnc(C2CC2)o1 ZINC001571223243 953142311 /nfs/dbraw/zinc/14/23/11/953142311.db2.gz RIWVLUYMBYTONZ-KOLCDFICSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571223215 953142344 /nfs/dbraw/zinc/14/23/44/953142344.db2.gz PZHSQEYHCIPEQY-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223215 953142345 /nfs/dbraw/zinc/14/23/45/953142345.db2.gz PZHSQEYHCIPEQY-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223288 953142861 /nfs/dbraw/zinc/14/28/61/953142861.db2.gz SIQNZOWSIJCUPL-NSHDSACASA-N -1 3 383.416 0.467 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223288 953142863 /nfs/dbraw/zinc/14/28/63/953142863.db2.gz SIQNZOWSIJCUPL-NSHDSACASA-N -1 3 383.416 0.467 20 0 GCADHM CCn1cnc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001571223257 953143009 /nfs/dbraw/zinc/14/30/09/953143009.db2.gz RVNCAWKIUNMFHI-ZDUSSCGKSA-N -1 3 383.416 0.113 20 0 GCADHM CCn1cnc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001571223257 953143015 /nfs/dbraw/zinc/14/30/15/953143015.db2.gz RVNCAWKIUNMFHI-ZDUSSCGKSA-N -1 3 383.416 0.113 20 0 GCADHM CCc1n[nH]cc1C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223367 953143177 /nfs/dbraw/zinc/14/31/77/953143177.db2.gz QDAOTTYMCOBSHP-NSHDSACASA-N -1 3 383.416 0.515 20 0 GCADHM CCc1n[nH]cc1C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223367 953143180 /nfs/dbraw/zinc/14/31/80/953143180.db2.gz QDAOTTYMCOBSHP-NSHDSACASA-N -1 3 383.416 0.515 20 0 GCADHM COc1cc(C(=O)N2CC[C@@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)nn1C ZINC001571223279 953143294 /nfs/dbraw/zinc/14/32/94/953143294.db2.gz SERFFNMMAXHMAR-LLVKDONJSA-N -1 3 383.416 0.639 20 0 GCADHM COc1cc(C(=O)N2CC[C@@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)nn1C ZINC001571223279 953143297 /nfs/dbraw/zinc/14/32/97/953143297.db2.gz SERFFNMMAXHMAR-LLVKDONJSA-N -1 3 383.416 0.639 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571223493 953143876 /nfs/dbraw/zinc/14/38/76/953143876.db2.gz ROMIQZNBNFVOKR-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571223493 953143879 /nfs/dbraw/zinc/14/38/79/953143879.db2.gz ROMIQZNBNFVOKR-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1 ZINC001571223483 953144442 /nfs/dbraw/zinc/14/44/42/953144442.db2.gz RILVUSRGAKEBQM-OXHZDVMGSA-N -1 3 383.412 0.441 20 0 GCADHM O=C(C[C@H]1COC(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1 ZINC001571223483 953144444 /nfs/dbraw/zinc/14/44/44/953144444.db2.gz RILVUSRGAKEBQM-OXHZDVMGSA-N -1 3 383.412 0.441 20 0 GCADHM CCn1nc(C)cc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571223540 953144976 /nfs/dbraw/zinc/14/49/76/953144976.db2.gz URCNJIRZAMPDAP-NSHDSACASA-N -1 3 383.416 0.364 20 0 GCADHM CCn1nc(C)cc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571223540 953144980 /nfs/dbraw/zinc/14/49/80/953144980.db2.gz URCNJIRZAMPDAP-NSHDSACASA-N -1 3 383.416 0.364 20 0 GCADHM COc1cc(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nnn[n-]2)nn1C ZINC001571223543 953145251 /nfs/dbraw/zinc/14/52/51/953145251.db2.gz UVWCSVNMROPWHZ-NSHDSACASA-N -1 3 383.416 0.721 20 0 GCADHM COc1cc(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nn[n-]n2)nn1C ZINC001571223543 953145253 /nfs/dbraw/zinc/14/52/53/953145253.db2.gz UVWCSVNMROPWHZ-NSHDSACASA-N -1 3 383.416 0.721 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2COC(=O)C2)ccc1-c1nnn[n-]1 ZINC001571223516 953145340 /nfs/dbraw/zinc/14/53/40/953145340.db2.gz SJMMFAWSSIPOAU-AVGNSLFASA-N -1 3 383.412 0.313 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2COC(=O)C2)ccc1-c1nn[n-]n1 ZINC001571223516 953145342 /nfs/dbraw/zinc/14/53/42/953145342.db2.gz SJMMFAWSSIPOAU-AVGNSLFASA-N -1 3 383.412 0.313 20 0 GCADHM COc1ccc(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001571223599 953145891 /nfs/dbraw/zinc/14/58/91/953145891.db2.gz WUBZECUEJIXNIV-CYBMUJFWSA-N -1 3 383.416 0.340 20 0 GCADHM COc1ccc(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001571223599 953145894 /nfs/dbraw/zinc/14/58/94/953145894.db2.gz WUBZECUEJIXNIV-CYBMUJFWSA-N -1 3 383.416 0.340 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001571223760 953146004 /nfs/dbraw/zinc/14/60/04/953146004.db2.gz ULZHWIXSITXTOZ-HIFRSBDPSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001571223760 953146013 /nfs/dbraw/zinc/14/60/13/953146013.db2.gz ULZHWIXSITXTOZ-HIFRSBDPSA-N -1 3 383.416 0.019 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223800 953146798 /nfs/dbraw/zinc/14/67/98/953146798.db2.gz VRMVQJWNHJQVKR-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223800 953146800 /nfs/dbraw/zinc/14/68/00/953146800.db2.gz VRMVQJWNHJQVKR-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571223796 953146951 /nfs/dbraw/zinc/14/69/51/953146951.db2.gz VRKBLGPNSYBMLN-XYPYZODXSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571223796 953146953 /nfs/dbraw/zinc/14/69/53/953146953.db2.gz VRKBLGPNSYBMLN-XYPYZODXSA-N -1 3 383.416 0.663 20 0 GCADHM CCn1nccc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001571223881 953147630 /nfs/dbraw/zinc/14/76/30/953147630.db2.gz ZHDJLMLUPUZAJG-ZDUSSCGKSA-N -1 3 383.416 0.113 20 0 GCADHM CCn1nccc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001571223881 953147632 /nfs/dbraw/zinc/14/76/32/953147632.db2.gz ZHDJLMLUPUZAJG-ZDUSSCGKSA-N -1 3 383.416 0.113 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571224011 953148534 /nfs/dbraw/zinc/14/85/34/953148534.db2.gz WZHMABNBTJUELA-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571224011 953148538 /nfs/dbraw/zinc/14/85/38/953148538.db2.gz WZHMABNBTJUELA-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(C(=O)CCn2ccnc2)C1 ZINC001571224080 953148697 /nfs/dbraw/zinc/14/86/97/953148697.db2.gz XUJGJAUGLINYHJ-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(C(=O)CCn2ccnc2)C1 ZINC001571224080 953148701 /nfs/dbraw/zinc/14/87/01/953148701.db2.gz XUJGJAUGLINYHJ-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM Cc1cnn(C)c1C(=O)NC1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571224737 953150517 /nfs/dbraw/zinc/15/05/17/953150517.db2.gz FJGWOFBCYRIELZ-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cnn(C)c1C(=O)NC1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571224737 953150521 /nfs/dbraw/zinc/15/05/21/953150521.db2.gz FJGWOFBCYRIELZ-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1c[nH]nc1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571224698 953150721 /nfs/dbraw/zinc/15/07/21/953150721.db2.gz DEMUAKCACWEKFQ-GFCCVEGCSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1c[nH]nc1C(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571224698 953150723 /nfs/dbraw/zinc/15/07/23/953150723.db2.gz DEMUAKCACWEKFQ-GFCCVEGCSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2C[C@@H](CNc3nc(C)ccc3-c3nnn[n-]3)C2)o1 ZINC001571224887 953151227 /nfs/dbraw/zinc/15/12/27/953151227.db2.gz FWRUQPWXWSIUNO-HAQNSBGRSA-N -1 3 383.416 0.811 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2C[C@@H](CNc3nc(C)ccc3-c3nn[n-]n3)C2)o1 ZINC001571224887 953151229 /nfs/dbraw/zinc/15/12/29/953151229.db2.gz FWRUQPWXWSIUNO-HAQNSBGRSA-N -1 3 383.416 0.811 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)[C@@H](C)C2)o1 ZINC001571224755 953151246 /nfs/dbraw/zinc/15/12/46/953151246.db2.gz FNVYWKTYHRTOLZ-GWCFXTLKSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)[C@@H](C)C2)o1 ZINC001571224755 953151247 /nfs/dbraw/zinc/15/12/47/953151247.db2.gz FNVYWKTYHRTOLZ-GWCFXTLKSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571224929 953151384 /nfs/dbraw/zinc/15/13/84/953151384.db2.gz GYXRGHUPADOIET-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571224929 953151386 /nfs/dbraw/zinc/15/13/86/953151386.db2.gz GYXRGHUPADOIET-CMPLNLGQSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cncn1CC(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571224926 953151423 /nfs/dbraw/zinc/15/14/23/953151423.db2.gz GXIDKOTUXGTWOX-UHFFFAOYSA-N -1 3 383.416 0.074 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)o1 ZINC001571225214 953152140 /nfs/dbraw/zinc/15/21/40/953152140.db2.gz IRNDVOODBKCTPI-GWCFXTLKSA-N -1 3 383.416 0.702 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](C)[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)o1 ZINC001571225214 953152143 /nfs/dbraw/zinc/15/21/43/953152143.db2.gz IRNDVOODBKCTPI-GWCFXTLKSA-N -1 3 383.416 0.702 20 0 GCADHM Cc1c[nH]nc1C(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001571224946 953152287 /nfs/dbraw/zinc/15/22/87/953152287.db2.gz HBYPDUYGZYEHMG-GFCCVEGCSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1c[nH]nc1C(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001571224946 953152288 /nfs/dbraw/zinc/15/22/88/953152288.db2.gz HBYPDUYGZYEHMG-GFCCVEGCSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1ccn(CC(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)n1 ZINC001571225310 953152806 /nfs/dbraw/zinc/15/28/06/953152806.db2.gz JKGLLRHPBKREOM-WCQYABFASA-N -1 3 383.416 0.119 20 0 GCADHM Cc1ccn(CC(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)n1 ZINC001571225310 953152808 /nfs/dbraw/zinc/15/28/08/953152808.db2.gz JKGLLRHPBKREOM-WCQYABFASA-N -1 3 383.416 0.119 20 0 GCADHM Cc1ccn(CC(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)n1 ZINC001571225305 953153107 /nfs/dbraw/zinc/15/31/07/953153107.db2.gz JKGLLRHPBKREOM-AAEUAGOBSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1ccn(CC(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)n1 ZINC001571225305 953153111 /nfs/dbraw/zinc/15/31/11/953153111.db2.gz JKGLLRHPBKREOM-AAEUAGOBSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1ncc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1C ZINC001571225924 953154698 /nfs/dbraw/zinc/15/46/98/953154698.db2.gz OKRPEYVYXFEXHO-LBPRGKRZSA-N -1 3 383.416 0.223 20 0 GCADHM Cc1ncc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1C ZINC001571225924 953154700 /nfs/dbraw/zinc/15/47/00/953154700.db2.gz OKRPEYVYXFEXHO-LBPRGKRZSA-N -1 3 383.416 0.223 20 0 GCADHM Cc1ccc(NC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCCO2)nn1 ZINC001571225878 953154751 /nfs/dbraw/zinc/15/47/51/953154751.db2.gz NHTJDUQWKWMPDF-ZDUSSCGKSA-N -1 3 383.416 0.636 20 0 GCADHM Cc1ccc(NC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCCO2)nn1 ZINC001571225878 953154756 /nfs/dbraw/zinc/15/47/56/953154756.db2.gz NHTJDUQWKWMPDF-ZDUSSCGKSA-N -1 3 383.416 0.636 20 0 GCADHM Cc1c[nH]nc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001571225960 953155389 /nfs/dbraw/zinc/15/53/89/953155389.db2.gz PCEYVIUDEHVPFW-GFCCVEGCSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1c[nH]nc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001571225960 953155390 /nfs/dbraw/zinc/15/53/90/953155390.db2.gz PCEYVIUDEHVPFW-GFCCVEGCSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1noc(CCC(=O)N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571226384 953155513 /nfs/dbraw/zinc/15/55/13/953155513.db2.gz PPEAKKHOERSSNE-LBPRGKRZSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1noc(CCC(=O)N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571226384 953155514 /nfs/dbraw/zinc/15/55/14/953155514.db2.gz PPEAKKHOERSSNE-LBPRGKRZSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)[C@@H](C)C2)o1 ZINC001571226494 953155963 /nfs/dbraw/zinc/15/59/63/953155963.db2.gz SFKDFCRBJNQRPP-GWCFXTLKSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)[C@@H](C)C2)o1 ZINC001571226494 953155965 /nfs/dbraw/zinc/15/59/65/953155965.db2.gz SFKDFCRBJNQRPP-GWCFXTLKSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)[nH]1 ZINC001571226461 953156044 /nfs/dbraw/zinc/15/60/44/953156044.db2.gz RGUGNGRKKBTCPK-UMSPYCQHSA-N -1 3 383.416 0.473 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)[nH]1 ZINC001571226461 953156045 /nfs/dbraw/zinc/15/60/45/953156045.db2.gz RGUGNGRKKBTCPK-UMSPYCQHSA-N -1 3 383.416 0.473 20 0 GCADHM Cc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nnn[n-]1 ZINC001571226473 953156055 /nfs/dbraw/zinc/15/60/55/953156055.db2.gz ROLFYHYRZXOEGN-MWLCHTKSSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nn[n-]n1 ZINC001571226473 953156057 /nfs/dbraw/zinc/15/60/57/953156057.db2.gz ROLFYHYRZXOEGN-MWLCHTKSSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1c[nH]nc1C(=O)NC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571226655 953157153 /nfs/dbraw/zinc/15/71/53/953157153.db2.gz UWIGMTQEXTVHKJ-UHFFFAOYSA-N -1 3 383.416 0.697 20 0 GCADHM Cc1c[nH]nc1C(=O)NC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571226655 953157155 /nfs/dbraw/zinc/15/71/55/953157155.db2.gz UWIGMTQEXTVHKJ-UHFFFAOYSA-N -1 3 383.416 0.697 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571227148 953158154 /nfs/dbraw/zinc/15/81/54/953158154.db2.gz ZUEASYWNYUOJJZ-BXKDBHETSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571227148 953158156 /nfs/dbraw/zinc/15/81/56/953158156.db2.gz ZUEASYWNYUOJJZ-BXKDBHETSA-N -1 3 383.416 0.270 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227797 953160043 /nfs/dbraw/zinc/16/00/43/953160043.db2.gz CHYSUMRGWZWDTJ-GHMZBOCLSA-N -1 3 383.420 0.057 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228003 953160551 /nfs/dbraw/zinc/16/05/51/953160551.db2.gz GESVEIIOYMPNAI-WDEREUQCSA-N -1 3 383.416 0.318 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228002 953160798 /nfs/dbraw/zinc/16/07/98/953160798.db2.gz GESVEIIOYMPNAI-QWRGUYRKSA-N -1 3 383.416 0.318 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2nc(C3CCC3)no2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571227875 953160946 /nfs/dbraw/zinc/16/09/46/953160946.db2.gz DURLTAWGHGWASZ-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2nc(C3CCC3)no2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571227875 953160949 /nfs/dbraw/zinc/16/09/49/953160949.db2.gz DURLTAWGHGWASZ-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571228135 953162545 /nfs/dbraw/zinc/16/25/45/953162545.db2.gz IYGKMOBDYWHJLG-CMPLNLGQSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571228135 953162546 /nfs/dbraw/zinc/16/25/46/953162546.db2.gz IYGKMOBDYWHJLG-CMPLNLGQSA-N -1 3 383.416 0.845 20 0 GCADHM Cn1cc(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[nH]c1=O ZINC001571228292 953163670 /nfs/dbraw/zinc/16/36/70/953163670.db2.gz MVWMAINQBYYVIM-UHFFFAOYSA-N -1 3 383.416 0.347 20 0 GCADHM Cn1ccnc1[C@H]1C[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001571228583 953165055 /nfs/dbraw/zinc/16/50/55/953165055.db2.gz SMWLPYRNHVRYNB-GXTWGEPZSA-N -1 3 383.416 0.715 20 0 GCADHM Cn1ccnc1[C@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001571228583 953165060 /nfs/dbraw/zinc/16/50/60/953165060.db2.gz SMWLPYRNHVRYNB-GXTWGEPZSA-N -1 3 383.416 0.715 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nc2)[nH]c1=O ZINC001571228835 953167084 /nfs/dbraw/zinc/16/70/84/953167084.db2.gz WICYPHOQPUSQIP-NSHDSACASA-N -1 3 383.416 0.490 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nc2)[nH]c1=O ZINC001571228835 953167085 /nfs/dbraw/zinc/16/70/85/953167085.db2.gz WICYPHOQPUSQIP-NSHDSACASA-N -1 3 383.416 0.490 20 0 GCADHM Cc1nonc1CN1CC[C@@]2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCC[C@@H]12 ZINC001571229062 953167589 /nfs/dbraw/zinc/16/75/89/953167589.db2.gz ZERAWLINUIBCDG-PBHICJAKSA-N -1 3 383.416 0.813 20 0 GCADHM Cc1nonc1CN1CC[C@@]2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCC[C@@H]12 ZINC001571229062 953167591 /nfs/dbraw/zinc/16/75/91/953167591.db2.gz ZERAWLINUIBCDG-PBHICJAKSA-N -1 3 383.416 0.813 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571228993 953167997 /nfs/dbraw/zinc/16/79/97/953167997.db2.gz XXSMDGPPXXIVOP-KRWDZBQOSA-N -1 3 383.416 0.074 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571228993 953168000 /nfs/dbraw/zinc/16/80/00/953168000.db2.gz XXSMDGPPXXIVOP-KRWDZBQOSA-N -1 3 383.416 0.074 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCCCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571230159 953174688 /nfs/dbraw/zinc/17/46/88/953174688.db2.gz SSTJHEJFRGTZRK-LLVKDONJSA-N -1 3 383.420 0.580 20 0 GCADHM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccncn2)c1-c1nnn[n-]1 ZINC001571230640 953178847 /nfs/dbraw/zinc/17/88/47/953178847.db2.gz HRCNKEYYFXTZEU-PHIMTYICSA-N -1 3 383.441 0.915 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(c2nc(C)cc(-c3nnn[n-]3)n2)CC1 ZINC001571230625 953179078 /nfs/dbraw/zinc/17/90/78/953179078.db2.gz YZFLRHQLEGZHGS-LLVKDONJSA-N -1 3 383.420 0.181 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N2C[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]3C2)CCO1 ZINC001571231087 953182446 /nfs/dbraw/zinc/18/24/46/953182446.db2.gz RYJBPMSYYMQALS-BARDWOONSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N2C[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]3C2)CCO1 ZINC001571231087 953182448 /nfs/dbraw/zinc/18/24/48/953182448.db2.gz RYJBPMSYYMQALS-BARDWOONSA-N -1 3 383.456 0.971 20 0 GCADHM O=C([C@H]1CC12CC2)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571232113 953186220 /nfs/dbraw/zinc/18/62/20/953186220.db2.gz BLNOQVDWEGGIDE-HUUCEWRRSA-N -1 3 383.456 0.852 20 0 GCADHM O=C([C@H]1CC12CC2)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571232113 953186223 /nfs/dbraw/zinc/18/62/23/953186223.db2.gz BLNOQVDWEGGIDE-HUUCEWRRSA-N -1 3 383.456 0.852 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)n1 ZINC001571232692 953188233 /nfs/dbraw/zinc/18/82/33/953188233.db2.gz JDNQNJIFGSWKRA-LJISPDSOSA-N -1 3 383.456 0.794 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C(C)(C)C2)n1 ZINC001571232692 953188234 /nfs/dbraw/zinc/18/82/34/953188234.db2.gz JDNQNJIFGSWKRA-LJISPDSOSA-N -1 3 383.456 0.794 20 0 GCADHM O=C(CN1CCCC1)N[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571234198 953199616 /nfs/dbraw/zinc/19/96/16/953199616.db2.gz PKOSVPXRIMHTRV-KDOFPFPSSA-N -1 3 383.460 0.370 20 0 GCADHM CN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nnn[n-]2)n1 ZINC001571234301 953200273 /nfs/dbraw/zinc/20/02/73/953200273.db2.gz SYMKRMSSNSZABC-GSPSYOTPSA-N -1 3 383.460 0.367 20 0 GCADHM O=C1OCC[C@@]12CCN(S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC001571234734 953205381 /nfs/dbraw/zinc/20/53/81/953205381.db2.gz HEWKOKFVVJJISN-CQSZACIVSA-N -1 3 383.817 0.848 20 0 GCADHM COc1cnc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)nc1 ZINC001571234957 953206793 /nfs/dbraw/zinc/20/67/93/953206793.db2.gz NUXMJZLAJRALKU-UHFFFAOYSA-N -1 3 384.375 0.767 20 0 GCADHM COc1cnc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)nc1 ZINC001571234957 953206797 /nfs/dbraw/zinc/20/67/97/953206797.db2.gz NUXMJZLAJRALKU-UHFFFAOYSA-N -1 3 384.375 0.767 20 0 GCADHM CN(c1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001571234887 953206969 /nfs/dbraw/zinc/20/69/69/953206969.db2.gz LVCMXEPYLPNFNF-SNVBAGLBSA-N -1 3 384.375 0.852 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC(NC(=O)c2ncccc2F)C1 ZINC001571235017 953207486 /nfs/dbraw/zinc/20/74/86/953207486.db2.gz PTCVVIHWXQDZGR-UHFFFAOYSA-N -1 3 384.375 0.762 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC(NC(=O)c2ncccc2F)C1 ZINC001571235017 953207489 /nfs/dbraw/zinc/20/74/89/953207489.db2.gz PTCVVIHWXQDZGR-UHFFFAOYSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cncc(F)c1 ZINC001571234999 953207774 /nfs/dbraw/zinc/20/77/74/953207774.db2.gz PEFUDFGOJHCPEA-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cncc(F)c1 ZINC001571234999 953207777 /nfs/dbraw/zinc/20/77/77/953207777.db2.gz PEFUDFGOJHCPEA-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(C(=O)c2ccc(F)cn2)C1 ZINC001571235066 953208587 /nfs/dbraw/zinc/20/85/87/953208587.db2.gz ROUAKVBSHMAKHY-VIFPVBQESA-N -1 3 384.375 0.619 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(C(=O)c2ccc(F)cn2)C1 ZINC001571235066 953208588 /nfs/dbraw/zinc/20/85/88/953208588.db2.gz ROUAKVBSHMAKHY-VIFPVBQESA-N -1 3 384.375 0.619 20 0 GCADHM CO[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)c1c[nH]cc1C ZINC001571235344 953211634 /nfs/dbraw/zinc/21/16/34/953211634.db2.gz AQLPRNFWGVVJQV-ZIAGYGMSSA-N -1 3 384.400 0.101 20 0 GCADHM CO[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)c1c[nH]cc1C ZINC001571235344 953211637 /nfs/dbraw/zinc/21/16/37/953211637.db2.gz AQLPRNFWGVVJQV-ZIAGYGMSSA-N -1 3 384.400 0.101 20 0 GCADHM CCc1ncoc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001571235441 953211924 /nfs/dbraw/zinc/21/19/24/953211924.db2.gz FDJPICSEIMDGIH-UWVGGRQHSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ncoc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571235441 953211926 /nfs/dbraw/zinc/21/19/26/953211926.db2.gz FDJPICSEIMDGIH-UWVGGRQHSA-N -1 3 384.400 0.778 20 0 GCADHM O=C(c1cccnn1)N1CCO[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571235475 953212633 /nfs/dbraw/zinc/21/26/33/953212633.db2.gz GDJWRUIGNNHVAD-LLVKDONJSA-N -1 3 384.375 0.749 20 0 GCADHM O=C(c1cccnn1)N1CCO[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571235475 953212637 /nfs/dbraw/zinc/21/26/37/953212637.db2.gz GDJWRUIGNNHVAD-LLVKDONJSA-N -1 3 384.375 0.749 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235472 953213173 /nfs/dbraw/zinc/21/31/73/953213173.db2.gz GCAZQJGFCAWINS-MGCOHNPYSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235472 953213176 /nfs/dbraw/zinc/21/31/76/953213176.db2.gz GCAZQJGFCAWINS-MGCOHNPYSA-N -1 3 384.400 0.997 20 0 GCADHM COCc1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)no1 ZINC001571235562 953213498 /nfs/dbraw/zinc/21/34/98/953213498.db2.gz ILATZEZMFWIQEF-GFCCVEGCSA-N -1 3 384.400 0.795 20 0 GCADHM COCc1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)no1 ZINC001571235562 953213499 /nfs/dbraw/zinc/21/34/99/953213499.db2.gz ILATZEZMFWIQEF-GFCCVEGCSA-N -1 3 384.400 0.795 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571235602 953213827 /nfs/dbraw/zinc/21/38/27/953213827.db2.gz KOARNRYNZWDKKF-NSHDSACASA-N -1 3 384.400 0.780 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571235602 953213830 /nfs/dbraw/zinc/21/38/30/953213830.db2.gz KOARNRYNZWDKKF-NSHDSACASA-N -1 3 384.400 0.780 20 0 GCADHM COCc1cc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)no1 ZINC001571235563 953213852 /nfs/dbraw/zinc/21/38/52/953213852.db2.gz ILATZEZMFWIQEF-LBPRGKRZSA-N -1 3 384.400 0.795 20 0 GCADHM COCc1cc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)no1 ZINC001571235563 953213855 /nfs/dbraw/zinc/21/38/55/953213855.db2.gz ILATZEZMFWIQEF-LBPRGKRZSA-N -1 3 384.400 0.795 20 0 GCADHM CCc1nc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)co1 ZINC001571235591 953213894 /nfs/dbraw/zinc/21/38/94/953213894.db2.gz JXRKYMMMXBLDMT-AOOOYVTPSA-N -1 3 384.400 0.684 20 0 GCADHM CCc1nc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)co1 ZINC001571235591 953213896 /nfs/dbraw/zinc/21/38/96/953213896.db2.gz JXRKYMMMXBLDMT-AOOOYVTPSA-N -1 3 384.400 0.684 20 0 GCADHM CCc1cc(C(=O)N(C)C2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571235526 953213942 /nfs/dbraw/zinc/21/39/42/953213942.db2.gz HKJTVOYADBJSLF-UHFFFAOYSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1cc(C(=O)N(C)C2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571235526 953213944 /nfs/dbraw/zinc/21/39/44/953213944.db2.gz HKJTVOYADBJSLF-UHFFFAOYSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235659 953214389 /nfs/dbraw/zinc/21/43/89/953214389.db2.gz MIWQJUCVTWBKJD-SNVBAGLBSA-N -1 3 384.400 0.732 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235659 953214391 /nfs/dbraw/zinc/21/43/91/953214391.db2.gz MIWQJUCVTWBKJD-SNVBAGLBSA-N -1 3 384.400 0.732 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1NC(=O)c1cc(C)on1 ZINC001571235672 953214444 /nfs/dbraw/zinc/21/44/44/953214444.db2.gz MXIRLWHFPDKNTQ-ZIAGYGMSSA-N -1 3 384.400 0.500 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1NC(=O)c1cc(C)on1 ZINC001571235672 953214446 /nfs/dbraw/zinc/21/44/46/953214446.db2.gz MXIRLWHFPDKNTQ-ZIAGYGMSSA-N -1 3 384.400 0.500 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1cocn1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571235649 953214556 /nfs/dbraw/zinc/21/45/56/953214556.db2.gz MCFXDSBERWRPAW-NSHDSACASA-N -1 3 384.400 0.950 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1cocn1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571235649 953214558 /nfs/dbraw/zinc/21/45/58/953214558.db2.gz MCFXDSBERWRPAW-NSHDSACASA-N -1 3 384.400 0.950 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2ocnc2C)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571235650 953214598 /nfs/dbraw/zinc/21/45/98/953214598.db2.gz MCVJGLJJXABTIK-WCQYABFASA-N -1 3 384.400 0.914 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2ocnc2C)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571235650 953214600 /nfs/dbraw/zinc/21/46/00/953214600.db2.gz MCVJGLJJXABTIK-WCQYABFASA-N -1 3 384.400 0.914 20 0 GCADHM CCc1oncc1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571235721 953215153 /nfs/dbraw/zinc/21/51/53/953215153.db2.gz OOXPWROSNWMQNN-LLVKDONJSA-N -1 3 384.400 0.732 20 0 GCADHM CCc1oncc1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571235721 953215156 /nfs/dbraw/zinc/21/51/56/953215156.db2.gz OOXPWROSNWMQNN-LLVKDONJSA-N -1 3 384.400 0.732 20 0 GCADHM CO[C@@H]1COC[C@@H]1NC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001571235773 953215278 /nfs/dbraw/zinc/21/52/78/953215278.db2.gz POAXKBVLKMSGGT-LSDHHAIUSA-N -1 3 384.400 0.647 20 0 GCADHM CO[C@@H]1COC[C@@H]1NC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001571235773 953215280 /nfs/dbraw/zinc/21/52/80/953215280.db2.gz POAXKBVLKMSGGT-LSDHHAIUSA-N -1 3 384.400 0.647 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2ccncc2F)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571235878 953216055 /nfs/dbraw/zinc/21/60/55/953216055.db2.gz QNMZGHORJHPOSU-JTQLQIEISA-N -1 3 384.375 0.621 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2ccncc2F)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571235878 953216059 /nfs/dbraw/zinc/21/60/59/953216059.db2.gz QNMZGHORJHPOSU-JTQLQIEISA-N -1 3 384.375 0.621 20 0 GCADHM CCc1ncoc1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571235925 953216141 /nfs/dbraw/zinc/21/61/41/953216141.db2.gz RNNCAXFADSUXFZ-LLVKDONJSA-N -1 3 384.400 0.732 20 0 GCADHM CCc1ncoc1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571235925 953216144 /nfs/dbraw/zinc/21/61/44/953216144.db2.gz RNNCAXFADSUXFZ-LLVKDONJSA-N -1 3 384.400 0.732 20 0 GCADHM CCc1ocnc1C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236162 953216658 /nfs/dbraw/zinc/21/66/58/953216658.db2.gz SRDUDNPQMFSRNK-UHFFFAOYSA-N -1 3 384.400 0.684 20 0 GCADHM CCc1ocnc1C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236162 953216661 /nfs/dbraw/zinc/21/66/61/953216661.db2.gz SRDUDNPQMFSRNK-UHFFFAOYSA-N -1 3 384.400 0.684 20 0 GCADHM O=C(Cc1ccc(F)cn1)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236379 953217312 /nfs/dbraw/zinc/21/73/12/953217312.db2.gz YDQWYZHXEPMPCM-CYBMUJFWSA-N -1 3 384.375 0.302 20 0 GCADHM O=C(Cc1ccc(F)cn1)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236379 953217313 /nfs/dbraw/zinc/21/73/13/953217313.db2.gz YDQWYZHXEPMPCM-CYBMUJFWSA-N -1 3 384.375 0.302 20 0 GCADHM CCc1nc(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)co1 ZINC001571236372 953217569 /nfs/dbraw/zinc/21/75/69/953217569.db2.gz XWZCJECPMAJVGI-LLVKDONJSA-N -1 3 384.400 0.780 20 0 GCADHM CCc1nc(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)co1 ZINC001571236372 953217571 /nfs/dbraw/zinc/21/75/71/953217571.db2.gz XWZCJECPMAJVGI-LLVKDONJSA-N -1 3 384.400 0.780 20 0 GCADHM Cc1noc(C)c1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236675 953217968 /nfs/dbraw/zinc/21/79/68/953217968.db2.gz AWCLPGLSGHKUFU-LBPRGKRZSA-N -1 3 384.400 0.373 20 0 GCADHM Cc1noc(C)c1CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236675 953217971 /nfs/dbraw/zinc/21/79/71/953217971.db2.gz AWCLPGLSGHKUFU-LBPRGKRZSA-N -1 3 384.400 0.373 20 0 GCADHM O=C(c1cnon1)N1C[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@H]21 ZINC001571236413 953218112 /nfs/dbraw/zinc/21/81/12/953218112.db2.gz ZHMTZIWARBCGLN-IAQYHMDHSA-N -1 3 384.375 0.735 20 0 GCADHM O=C(c1cnon1)N1C[C@H]2CCN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C[C@H]21 ZINC001571236413 953218115 /nfs/dbraw/zinc/21/81/15/953218115.db2.gz ZHMTZIWARBCGLN-IAQYHMDHSA-N -1 3 384.375 0.735 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2O)n1 ZINC001571236409 953218399 /nfs/dbraw/zinc/21/83/99/953218399.db2.gz ZDGJOIXBYSSMIF-DGCLKSJQSA-N -1 3 384.375 0.084 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2O)n1 ZINC001571236409 953218402 /nfs/dbraw/zinc/21/84/02/953218402.db2.gz ZDGJOIXBYSSMIF-DGCLKSJQSA-N -1 3 384.375 0.084 20 0 GCADHM Cc1noc(C)c1CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571236920 953218874 /nfs/dbraw/zinc/21/88/74/953218874.db2.gz CXSYRFSCNSQOET-GFCCVEGCSA-N -1 3 384.400 0.373 20 0 GCADHM Cc1noc(C)c1CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571236920 953218878 /nfs/dbraw/zinc/21/88/78/953218878.db2.gz CXSYRFSCNSQOET-GFCCVEGCSA-N -1 3 384.400 0.373 20 0 GCADHM COc1nc(C(=O)N(C)[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)co1 ZINC001571237297 953220851 /nfs/dbraw/zinc/22/08/51/953220851.db2.gz GXDHGXJONITDOA-LLVKDONJSA-N -1 3 384.400 0.918 20 0 GCADHM COc1nc(C(=O)N(C)[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)co1 ZINC001571237297 953220855 /nfs/dbraw/zinc/22/08/55/953220855.db2.gz GXDHGXJONITDOA-LLVKDONJSA-N -1 3 384.400 0.918 20 0 GCADHM Cc1noc(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571237426 953221077 /nfs/dbraw/zinc/22/10/77/953221077.db2.gz HOAQRQHDJVTBAF-NSHDSACASA-N -1 3 384.400 0.692 20 0 GCADHM Cc1noc(C)c1C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571237426 953221082 /nfs/dbraw/zinc/22/10/82/953221082.db2.gz HOAQRQHDJVTBAF-NSHDSACASA-N -1 3 384.400 0.692 20 0 GCADHM Cc1nc(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)o1 ZINC001571237475 953221483 /nfs/dbraw/zinc/22/14/83/953221483.db2.gz ILXDRMGMKFHGCQ-QMMMGPOBSA-N -1 3 384.400 0.690 20 0 GCADHM Cc1nc(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)o1 ZINC001571237475 953221487 /nfs/dbraw/zinc/22/14/87/953221487.db2.gz ILXDRMGMKFHGCQ-QMMMGPOBSA-N -1 3 384.400 0.690 20 0 GCADHM Cc1noc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1C ZINC001571237634 953222393 /nfs/dbraw/zinc/22/23/93/953222393.db2.gz KAMZUEWMFJYDAP-LLVKDONJSA-N -1 3 384.400 0.692 20 0 GCADHM Cc1noc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1C ZINC001571237634 953222396 /nfs/dbraw/zinc/22/23/96/953222396.db2.gz KAMZUEWMFJYDAP-LLVKDONJSA-N -1 3 384.400 0.692 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571237667 953222525 /nfs/dbraw/zinc/22/25/25/953222525.db2.gz LBXPSISDDPAKAC-RYUDHWBXSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571237667 953222527 /nfs/dbraw/zinc/22/25/27/953222527.db2.gz LBXPSISDDPAKAC-RYUDHWBXSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1ncc(CC(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)o1 ZINC001571237686 953223071 /nfs/dbraw/zinc/22/30/71/953223071.db2.gz LREJDZJZVZIJDJ-SKDRFNHKSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1ncc(CC(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)o1 ZINC001571237686 953223073 /nfs/dbraw/zinc/22/30/73/953223073.db2.gz LREJDZJZVZIJDJ-SKDRFNHKSA-N -1 3 384.400 0.453 20 0 GCADHM C[C@H](NC(=O)c1ccon1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571237887 953223455 /nfs/dbraw/zinc/22/34/55/953223455.db2.gz NCWZTBSPFNBLMU-JTQLQIEISA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](NC(=O)c1ccon1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571237887 953223458 /nfs/dbraw/zinc/22/34/58/953223458.db2.gz NCWZTBSPFNBLMU-JTQLQIEISA-N -1 3 384.400 0.854 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)[C@@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC001571237743 953223504 /nfs/dbraw/zinc/22/35/04/953223504.db2.gz MXQLNIMQHSTZLN-RISCZKNCSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)[C@@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC001571237743 953223506 /nfs/dbraw/zinc/22/35/06/953223506.db2.gz MXQLNIMQHSTZLN-RISCZKNCSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ocnc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571237981 953223866 /nfs/dbraw/zinc/22/38/66/953223866.db2.gz PRMQXCBAWPMYCW-ZWNOBZJWSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ocnc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571237981 953223867 /nfs/dbraw/zinc/22/38/67/953223867.db2.gz PRMQXCBAWPMYCW-ZWNOBZJWSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ncc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)o1 ZINC001571237940 953223940 /nfs/dbraw/zinc/22/39/40/953223940.db2.gz OQPBLPUGAAXKPM-TVQRCGJNSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1ncc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)o1 ZINC001571237940 953223943 /nfs/dbraw/zinc/22/39/43/953223943.db2.gz OQPBLPUGAAXKPM-TVQRCGJNSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1ocnc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571237980 953223952 /nfs/dbraw/zinc/22/39/52/953223952.db2.gz PRMQXCBAWPMYCW-MFKMUULPSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ocnc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571237980 953223955 /nfs/dbraw/zinc/22/39/55/953223955.db2.gz PRMQXCBAWPMYCW-MFKMUULPSA-N -1 3 384.400 0.900 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ncc(C3CC3)o2)C[C@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238040 953224603 /nfs/dbraw/zinc/22/46/03/953224603.db2.gz RTLDOZNHLHLBIH-CHWSQXEVSA-N -1 3 384.400 0.035 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ncc(C3CC3)o2)C[C@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238040 953224606 /nfs/dbraw/zinc/22/46/06/953224606.db2.gz RTLDOZNHLHLBIH-CHWSQXEVSA-N -1 3 384.400 0.035 20 0 GCADHM Cc1nc(C(=O)NC2CC(N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C)o1 ZINC001571238011 953224798 /nfs/dbraw/zinc/22/47/98/953224798.db2.gz QWOSYNWKNBCIPD-UHFFFAOYSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C(=O)NC2CC(N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C)o1 ZINC001571238011 953224801 /nfs/dbraw/zinc/22/48/01/953224801.db2.gz QWOSYNWKNBCIPD-UHFFFAOYSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1noc(C)c1C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571238009 953224955 /nfs/dbraw/zinc/22/49/55/953224955.db2.gz QNQMJQCYQLOVER-UHFFFAOYSA-N -1 3 384.400 0.834 20 0 GCADHM Cc1noc(C)c1C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571238009 953224959 /nfs/dbraw/zinc/22/49/59/953224959.db2.gz QNQMJQCYQLOVER-UHFFFAOYSA-N -1 3 384.400 0.834 20 0 GCADHM Cc1cc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)no1 ZINC001571238197 953226419 /nfs/dbraw/zinc/22/64/19/953226419.db2.gz WLHFXDHVKMJRCZ-GWCFXTLKSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1cc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)no1 ZINC001571238197 953226423 /nfs/dbraw/zinc/22/64/23/953226423.db2.gz WLHFXDHVKMJRCZ-GWCFXTLKSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571238282 953227117 /nfs/dbraw/zinc/22/71/17/953227117.db2.gz YOAJJJBKVIQVDO-GHMZBOCLSA-N -1 3 384.400 0.629 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571238282 953227119 /nfs/dbraw/zinc/22/71/19/953227119.db2.gz YOAJJJBKVIQVDO-GHMZBOCLSA-N -1 3 384.400 0.629 20 0 GCADHM Cc1ncoc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238287 953227243 /nfs/dbraw/zinc/22/72/43/953227243.db2.gz YONVLBMDAANUEK-WDEREUQCSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1ncoc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238287 953227245 /nfs/dbraw/zinc/22/72/45/953227245.db2.gz YONVLBMDAANUEK-WDEREUQCSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C)o1 ZINC001571238249 953227278 /nfs/dbraw/zinc/22/72/78/953227278.db2.gz XZNIEHPANSKNIQ-QPUJVOFHSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C)o1 ZINC001571238249 953227281 /nfs/dbraw/zinc/22/72/81/953227281.db2.gz XZNIEHPANSKNIQ-QPUJVOFHSA-N -1 3 384.400 0.833 20 0 GCADHM COc1ccc(CN2CCN(C(=O)C3=CCOCC3)CC2)cc1-c1nnn[n-]1 ZINC001571241623 953247813 /nfs/dbraw/zinc/24/78/13/953247813.db2.gz GPQCHYZGQQTDIH-UHFFFAOYSA-N -1 3 384.440 0.866 20 0 GCADHM COc1ccc(CN2CCN(C(=O)C3=CCOCC3)CC2)cc1-c1nn[n-]n1 ZINC001571241623 953247816 /nfs/dbraw/zinc/24/78/16/953247816.db2.gz GPQCHYZGQQTDIH-UHFFFAOYSA-N -1 3 384.440 0.866 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571241657 953248974 /nfs/dbraw/zinc/24/89/74/953248974.db2.gz HMLWDNUJXIULCO-ZJUUUORDSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571241657 953248977 /nfs/dbraw/zinc/24/89/77/953248977.db2.gz HMLWDNUJXIULCO-ZJUUUORDSA-N -1 3 384.437 0.969 20 0 GCADHM Cn1ccc(CC(=O)N[C@H]2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571241890 953250510 /nfs/dbraw/zinc/25/05/10/953250510.db2.gz OOSUHHUEYNBSHO-HNNXBMFYSA-N -1 3 384.419 0.673 20 0 GCADHM NC(=O)c1csc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571241974 953251354 /nfs/dbraw/zinc/25/13/54/953251354.db2.gz RLJRDSPYWODHRF-UHFFFAOYSA-N -1 3 384.425 0.385 20 0 GCADHM NC(=O)c1csc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571241974 953251357 /nfs/dbraw/zinc/25/13/57/953251357.db2.gz RLJRDSPYWODHRF-UHFFFAOYSA-N -1 3 384.425 0.385 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@H]2CCN(C(=O)c3cscn3)C[C@H]21 ZINC001571241993 953251908 /nfs/dbraw/zinc/25/19/08/953251908.db2.gz SFQDAJURXGVUCG-NOZJJQNGSA-N -1 3 384.425 0.638 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@H]2CCN(C(=O)c3cscn3)C[C@H]21 ZINC001571241993 953251909 /nfs/dbraw/zinc/25/19/09/953251909.db2.gz SFQDAJURXGVUCG-NOZJJQNGSA-N -1 3 384.425 0.638 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC001571242186 953253570 /nfs/dbraw/zinc/25/35/70/953253570.db2.gz CAMBXGMLBYMPOH-YPMHNXCESA-N -1 3 384.444 0.119 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC001571242186 953253574 /nfs/dbraw/zinc/25/35/74/953253574.db2.gz CAMBXGMLBYMPOH-YPMHNXCESA-N -1 3 384.444 0.119 20 0 GCADHM CN1C(=O)c2ccccc2[C@@H]1CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571242356 953255504 /nfs/dbraw/zinc/25/55/04/953255504.db2.gz ZYHRUTOQULNCAY-HNNXBMFYSA-N -1 3 384.421 0.972 20 0 GCADHM CN1C(=O)c2ccccc2[C@@H]1CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571242356 953255510 /nfs/dbraw/zinc/25/55/10/953255510.db2.gz ZYHRUTOQULNCAY-HNNXBMFYSA-N -1 3 384.421 0.972 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571242393 953256314 /nfs/dbraw/zinc/25/63/14/953256314.db2.gz FIWLIUHGIBWBAJ-HONMWMINSA-N -1 3 384.444 0.151 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571242393 953256316 /nfs/dbraw/zinc/25/63/16/953256316.db2.gz FIWLIUHGIBWBAJ-HONMWMINSA-N -1 3 384.444 0.151 20 0 GCADHM CN1C[C@@H](C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)CC2)CC1=O ZINC001571242420 953256354 /nfs/dbraw/zinc/25/63/54/953256354.db2.gz FXQCOTHQFUJRBY-AVGNSLFASA-N -1 3 384.444 0.579 20 0 GCADHM CN1C[C@@H](C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)CC2)CC1=O ZINC001571242420 953256355 /nfs/dbraw/zinc/25/63/55/953256355.db2.gz FXQCOTHQFUJRBY-AVGNSLFASA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001571242515 953257119 /nfs/dbraw/zinc/25/71/19/953257119.db2.gz IEBGJFGBPOJQQA-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCCC1=O ZINC001571242515 953257121 /nfs/dbraw/zinc/25/71/21/953257121.db2.gz IEBGJFGBPOJQQA-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571242503 953257186 /nfs/dbraw/zinc/25/71/86/953257186.db2.gz IALWKTJHWSNSGS-UKRRQHHQSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571242503 953257188 /nfs/dbraw/zinc/25/71/88/953257188.db2.gz IALWKTJHWSNSGS-UKRRQHHQSA-N -1 3 384.444 0.533 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1)c1ncccc1-c1nnn[n-]1 ZINC001571242500 953257229 /nfs/dbraw/zinc/25/72/29/953257229.db2.gz HXVHOHWHBJGIBP-QWHCGFSZSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1)c1ncccc1-c1nn[n-]n1 ZINC001571242500 953257232 /nfs/dbraw/zinc/25/72/32/953257232.db2.gz HXVHOHWHBJGIBP-QWHCGFSZSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1)c1ncccc1-c1nnn[n-]1 ZINC001571242695 953258655 /nfs/dbraw/zinc/25/86/55/953258655.db2.gz LWQFNVWHKBNFMM-TZMCWYRMSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1)c1ncccc1-c1nn[n-]n1 ZINC001571242695 953258656 /nfs/dbraw/zinc/25/86/56/953258656.db2.gz LWQFNVWHKBNFMM-TZMCWYRMSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H]1C[C@H](NC(=O)CN2CCCC2=O)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571242631 953258733 /nfs/dbraw/zinc/25/87/33/953258733.db2.gz KOVKLEQYBBOGIY-GXTWGEPZSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H]1C[C@H](NC(=O)CN2CCCC2=O)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571242631 953258736 /nfs/dbraw/zinc/25/87/36/953258736.db2.gz KOVKLEQYBBOGIY-GXTWGEPZSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571242711 953259584 /nfs/dbraw/zinc/25/95/84/953259584.db2.gz MEYKNZMFMJDAAB-OLZOCXBDSA-N -1 3 384.444 0.391 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571242711 953259588 /nfs/dbraw/zinc/25/95/88/953259588.db2.gz MEYKNZMFMJDAAB-OLZOCXBDSA-N -1 3 384.444 0.391 20 0 GCADHM CCN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571242823 953259929 /nfs/dbraw/zinc/25/99/29/953259929.db2.gz OVVCSXCRLCOVDY-JSGCOSHPSA-N -1 3 384.444 0.215 20 0 GCADHM CCN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571242823 953259934 /nfs/dbraw/zinc/25/99/34/953259934.db2.gz OVVCSXCRLCOVDY-JSGCOSHPSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)[C@@H]1CCCC(=O)N1C ZINC001571242873 953260980 /nfs/dbraw/zinc/26/09/80/953260980.db2.gz QDWGSJOGWBXGCY-BNOWGMLFSA-N -1 3 384.444 0.214 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)[C@@H]1CCCC(=O)N1C ZINC001571242873 953260981 /nfs/dbraw/zinc/26/09/81/953260981.db2.gz QDWGSJOGWBXGCY-BNOWGMLFSA-N -1 3 384.444 0.214 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001571242868 953261374 /nfs/dbraw/zinc/26/13/74/953261374.db2.gz QARBUNSXNLXKQZ-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001571242868 953261379 /nfs/dbraw/zinc/26/13/79/953261379.db2.gz QARBUNSXNLXKQZ-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM CCN1C[C@H](C(=O)N2CC[C@H](N(C)c3ncccc3-c3nnn[n-]3)C2)CC1=O ZINC001571242940 953261873 /nfs/dbraw/zinc/26/18/73/953261873.db2.gz RMJRTSSWGRNOJK-OLZOCXBDSA-N -1 3 384.444 0.167 20 0 GCADHM CCN1C[C@H](C(=O)N2CC[C@H](N(C)c3ncccc3-c3nn[n-]n3)C2)CC1=O ZINC001571242940 953261877 /nfs/dbraw/zinc/26/18/77/953261877.db2.gz RMJRTSSWGRNOJK-OLZOCXBDSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571243039 953262513 /nfs/dbraw/zinc/26/25/13/953262513.db2.gz UMUVMPJSRVKKDH-GDBMZVCRSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571243039 953262517 /nfs/dbraw/zinc/26/25/17/953262517.db2.gz UMUVMPJSRVKKDH-GDBMZVCRSA-N -1 3 384.444 0.310 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1)c1ncccc1-c1nnn[n-]1 ZINC001571243016 953262649 /nfs/dbraw/zinc/26/26/49/953262649.db2.gz UBSIVVASKYBJHK-GXTWGEPZSA-N -1 3 384.444 0.358 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1)c1ncccc1-c1nn[n-]n1 ZINC001571243016 953262654 /nfs/dbraw/zinc/26/26/54/953262654.db2.gz UBSIVVASKYBJHK-GXTWGEPZSA-N -1 3 384.444 0.358 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571243085 953262720 /nfs/dbraw/zinc/26/27/20/953262720.db2.gz VJTQVZTUMGJEFT-TZMCWYRMSA-N -1 3 384.444 0.533 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571243085 953262722 /nfs/dbraw/zinc/26/27/22/953262722.db2.gz VJTQVZTUMGJEFT-TZMCWYRMSA-N -1 3 384.444 0.533 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571243051 953262725 /nfs/dbraw/zinc/26/27/25/953262725.db2.gz USJHFYQYZIACBB-ZIAGYGMSSA-N -1 3 384.444 0.533 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571243051 953262727 /nfs/dbraw/zinc/26/27/27/953262727.db2.gz USJHFYQYZIACBB-ZIAGYGMSSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571243160 953263286 /nfs/dbraw/zinc/26/32/86/953263286.db2.gz XOKNBBPFANEENE-GDLCADMTSA-N -1 3 384.444 0.104 20 0 GCADHM C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571243160 953263288 /nfs/dbraw/zinc/26/32/88/953263288.db2.gz XOKNBBPFANEENE-GDLCADMTSA-N -1 3 384.444 0.104 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC001571243216 953264153 /nfs/dbraw/zinc/26/41/53/953264153.db2.gz ZQFYXDYBHAJGBM-KGLIPLIRSA-N -1 3 384.444 0.261 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC001571243216 953264156 /nfs/dbraw/zinc/26/41/56/953264156.db2.gz ZQFYXDYBHAJGBM-KGLIPLIRSA-N -1 3 384.444 0.261 20 0 GCADHM CC1(NC(=O)[C@H]2CCCC(=O)N2)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571243225 953264462 /nfs/dbraw/zinc/26/44/62/953264462.db2.gz ZUMLOSWBLNYEOV-CYBMUJFWSA-N -1 3 384.444 0.406 20 0 GCADHM CC1(NC(=O)[C@H]2CCCC(=O)N2)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571243225 953264467 /nfs/dbraw/zinc/26/44/67/953264467.db2.gz ZUMLOSWBLNYEOV-CYBMUJFWSA-N -1 3 384.444 0.406 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571244983 953268972 /nfs/dbraw/zinc/26/89/72/953268972.db2.gz BUDKIVMHYIAXRG-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571244983 953268976 /nfs/dbraw/zinc/26/89/76/953268976.db2.gz BUDKIVMHYIAXRG-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CCn1nncc1CN(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571245775 953276789 /nfs/dbraw/zinc/27/67/89/953276789.db2.gz MLBMHXDFVXYOBJ-ZDUSSCGKSA-N -1 3 384.448 0.543 20 0 GCADHM CCn1nncc1CN(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571245775 953276793 /nfs/dbraw/zinc/27/67/93/953276793.db2.gz MLBMHXDFVXYOBJ-ZDUSSCGKSA-N -1 3 384.448 0.543 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571245882 953277838 /nfs/dbraw/zinc/27/78/38/953277838.db2.gz NRTMWEHSPRDPPN-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571245882 953277842 /nfs/dbraw/zinc/27/78/42/953277842.db2.gz NRTMWEHSPRDPPN-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CN(Cc1ncnn1C)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571246165 953281038 /nfs/dbraw/zinc/28/10/38/953281038.db2.gz VHDBRNBAUBAAHQ-LBPRGKRZSA-N -1 3 384.448 0.450 20 0 GCADHM CN(Cc1ncnn1C)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571246165 953281041 /nfs/dbraw/zinc/28/10/41/953281041.db2.gz VHDBRNBAUBAAHQ-LBPRGKRZSA-N -1 3 384.448 0.450 20 0 GCADHM CCn1ncc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1 ZINC001571246244 953281794 /nfs/dbraw/zinc/28/17/94/953281794.db2.gz WVIOFVOTQKXOGG-DGCLKSJQSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1ncc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1 ZINC001571246244 953281797 /nfs/dbraw/zinc/28/17/97/953281797.db2.gz WVIOFVOTQKXOGG-DGCLKSJQSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1ncc(CN2CCC(C)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001571246330 953282717 /nfs/dbraw/zinc/28/27/17/953282717.db2.gz YGYHTHPNCICMQE-UHFFFAOYSA-N -1 3 384.448 0.591 20 0 GCADHM CCn1ncc(CN2CCC(C)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001571246330 953282718 /nfs/dbraw/zinc/28/27/18/953282718.db2.gz YGYHTHPNCICMQE-UHFFFAOYSA-N -1 3 384.448 0.591 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001571248042 953288688 /nfs/dbraw/zinc/28/86/88/953288688.db2.gz CPFOKHPDITUSFL-BNOWGMLFSA-N -1 3 384.444 0.342 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001571248042 953288693 /nfs/dbraw/zinc/28/86/93/953288693.db2.gz CPFOKHPDITUSFL-BNOWGMLFSA-N -1 3 384.444 0.342 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001571248038 953289083 /nfs/dbraw/zinc/28/90/83/953289083.db2.gz CNXLGPNHKQLNLA-CHWSQXEVSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C)C2)n1 ZINC001571248038 953289086 /nfs/dbraw/zinc/28/90/86/953289086.db2.gz CNXLGPNHKQLNLA-CHWSQXEVSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1nc(N2CCC(C)(NC(=O)[C@@H]3CCC(=O)N3)CC2)ccc1-c1nnn[n-]1 ZINC001571248075 953289158 /nfs/dbraw/zinc/28/91/58/953289158.db2.gz DGZNQQFGBXXCCE-ZDUSSCGKSA-N -1 3 384.444 0.324 20 0 GCADHM Cc1nc(N2CCC(C)(NC(=O)[C@@H]3CCC(=O)N3)CC2)ccc1-c1nn[n-]n1 ZINC001571248075 953289160 /nfs/dbraw/zinc/28/91/60/953289160.db2.gz DGZNQQFGBXXCCE-ZDUSSCGKSA-N -1 3 384.444 0.324 20 0 GCADHM Cc1nc(N2CC[C@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571248129 953289513 /nfs/dbraw/zinc/28/95/13/953289513.db2.gz FABZLDCGQUWLOJ-TZMCWYRMSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1nc(N2CC[C@H](CNC(=O)[C@H]3CCCC(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571248129 953289514 /nfs/dbraw/zinc/28/95/14/953289514.db2.gz FABZLDCGQUWLOJ-TZMCWYRMSA-N -1 3 384.444 0.181 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001571248098 953290148 /nfs/dbraw/zinc/29/01/48/953290148.db2.gz DQCPPIXEJDBRNU-NSHDSACASA-N -1 3 384.448 0.615 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)[C@H]3CCNC(=O)CC3)C2)n1 ZINC001571248952 953298484 /nfs/dbraw/zinc/29/84/84/953298484.db2.gz MQDIMAIHWTYQOW-CHWSQXEVSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)[C@H]3CCNC(=O)CC3)C2)n1 ZINC001571248952 953298488 /nfs/dbraw/zinc/29/84/88/953298488.db2.gz MQDIMAIHWTYQOW-CHWSQXEVSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)ccc1-c1nnn[n-]1 ZINC001571249307 953303881 /nfs/dbraw/zinc/30/38/81/953303881.db2.gz OBEUGWWVAJOPOC-BNOWGMLFSA-N -1 3 384.444 0.485 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)[C@H]2C[C@H]2C(N)=O)ccc1-c1nn[n-]n1 ZINC001571249307 953303884 /nfs/dbraw/zinc/30/38/84/953303884.db2.gz OBEUGWWVAJOPOC-BNOWGMLFSA-N -1 3 384.444 0.485 20 0 GCADHM Cc1nc(N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)ccc1-c1nnn[n-]1 ZINC001571249384 953304342 /nfs/dbraw/zinc/30/43/42/953304342.db2.gz PDBVEEBLNXXUOS-SFHVURJKSA-N -1 3 384.444 0.135 20 0 GCADHM Cc1nc(N2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)CC2)ccc1-c1nn[n-]n1 ZINC001571249384 953304346 /nfs/dbraw/zinc/30/43/46/953304346.db2.gz PDBVEEBLNXXUOS-SFHVURJKSA-N -1 3 384.444 0.135 20 0 GCADHM O=C(N[C@@H]1CCN([C@@H]2CCN(C3CCC3)C2=O)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571249407 953304854 /nfs/dbraw/zinc/30/48/54/953304854.db2.gz PLPHKFTVNJCYLG-IAQYHMDHSA-N -1 3 384.444 0.152 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001571250025 953307620 /nfs/dbraw/zinc/30/76/20/953307620.db2.gz NLJQYMYGCCLITR-AWEZNQCLSA-N -1 3 384.488 0.827 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001571250025 953307625 /nfs/dbraw/zinc/30/76/25/953307625.db2.gz NLJQYMYGCCLITR-AWEZNQCLSA-N -1 3 384.488 0.827 20 0 GCADHM CN(C)CCN(C(=O)c1csc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001571249907 953307663 /nfs/dbraw/zinc/30/76/63/953307663.db2.gz MLFCIRNWNBLXTP-LLVKDONJSA-N -1 3 384.487 0.119 20 0 GCADHM CN(C)CCN(C(=O)c1csc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001571249907 953307668 /nfs/dbraw/zinc/30/76/68/953307668.db2.gz MLFCIRNWNBLXTP-LLVKDONJSA-N -1 3 384.487 0.119 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571250419 953310975 /nfs/dbraw/zinc/31/09/75/953310975.db2.gz RINRPTZYZONASM-NRWUCQMLSA-N -1 3 384.444 0.470 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571250419 953310979 /nfs/dbraw/zinc/31/09/79/953310979.db2.gz RINRPTZYZONASM-NRWUCQMLSA-N -1 3 384.444 0.470 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571250412 953311732 /nfs/dbraw/zinc/31/17/32/953311732.db2.gz RIGYLFDRDLIRIB-QWHCGFSZSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571250412 953311736 /nfs/dbraw/zinc/31/17/36/953311736.db2.gz RIGYLFDRDLIRIB-QWHCGFSZSA-N -1 3 384.444 0.581 20 0 GCADHM CS(=O)(=O)C[C@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571250856 953313688 /nfs/dbraw/zinc/31/36/88/953313688.db2.gz UINWEFWMDFSUBS-JTQLQIEISA-N -1 3 384.487 0.894 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571251220 953315247 /nfs/dbraw/zinc/31/52/47/953315247.db2.gz SSSNQLTZHIKWJG-CHWSQXEVSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571251220 953315252 /nfs/dbraw/zinc/31/52/52/953315252.db2.gz SSSNQLTZHIKWJG-CHWSQXEVSA-N -1 3 384.444 0.438 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)n1 ZINC001571251197 953315577 /nfs/dbraw/zinc/31/55/77/953315577.db2.gz RVVPOGABTXQHEU-AGIUHOORSA-N -1 3 384.444 0.167 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)n1 ZINC001571251197 953315580 /nfs/dbraw/zinc/31/55/80/953315580.db2.gz RVVPOGABTXQHEU-AGIUHOORSA-N -1 3 384.444 0.167 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC001571251764 953319568 /nfs/dbraw/zinc/31/95/68/953319568.db2.gz WDBUNKCUWYQLAD-QWHCGFSZSA-N -1 3 384.444 0.133 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC001571251764 953319572 /nfs/dbraw/zinc/31/95/72/953319572.db2.gz WDBUNKCUWYQLAD-QWHCGFSZSA-N -1 3 384.444 0.133 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)NC1 ZINC001571252157 953324094 /nfs/dbraw/zinc/32/40/94/953324094.db2.gz XKXXJMINVNIHON-YNEHKIRRSA-N -1 3 384.444 0.485 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)NC1 ZINC001571252157 953324098 /nfs/dbraw/zinc/32/40/98/953324098.db2.gz XKXXJMINVNIHON-YNEHKIRRSA-N -1 3 384.444 0.485 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571252195 953325366 /nfs/dbraw/zinc/32/53/66/953325366.db2.gz YNYGUORQUYEPIV-QWHCGFSZSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571252195 953325368 /nfs/dbraw/zinc/32/53/68/953325368.db2.gz YNYGUORQUYEPIV-QWHCGFSZSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571252419 953328323 /nfs/dbraw/zinc/32/83/23/953328323.db2.gz ZYOUFDUZUIPBQK-QWHCGFSZSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571252419 953328326 /nfs/dbraw/zinc/32/83/26/953328326.db2.gz ZYOUFDUZUIPBQK-QWHCGFSZSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571252416 953328629 /nfs/dbraw/zinc/32/86/29/953328629.db2.gz ZYOUFDUZUIPBQK-CHWSQXEVSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571252416 953328631 /nfs/dbraw/zinc/32/86/31/953328631.db2.gz ZYOUFDUZUIPBQK-CHWSQXEVSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncn2C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571253979 953336253 /nfs/dbraw/zinc/33/62/53/953336253.db2.gz CHWOTNRRQYUPKJ-ZWNOBZJWSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncn2C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571253979 953336255 /nfs/dbraw/zinc/33/62/55/953336255.db2.gz CHWOTNRRQYUPKJ-ZWNOBZJWSA-N -1 3 385.407 0.922 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CN(Cc3cc(F)ccc3-c3nnn[n-]3)C2)o1 ZINC001571254535 953339859 /nfs/dbraw/zinc/33/98/59/953339859.db2.gz DWNMWSXQONZIET-UHFFFAOYSA-N -1 3 385.359 0.312 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)o1 ZINC001571254535 953339862 /nfs/dbraw/zinc/33/98/62/953339862.db2.gz DWNMWSXQONZIET-UHFFFAOYSA-N -1 3 385.359 0.312 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O)c1ccc[nH]1 ZINC001571254823 953343158 /nfs/dbraw/zinc/34/31/58/953343158.db2.gz KAWYQMRUJVTLKZ-GDBMZVCRSA-N -1 3 385.403 0.699 20 0 GCADHM O=C(c1cc2n(n1)CCO2)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571255764 953356634 /nfs/dbraw/zinc/35/66/34/953356634.db2.gz 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20 0 GCADHM NC(=O)Cc1ccc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000685879337 531194418 /nfs/dbraw/zinc/19/44/18/531194418.db2.gz RFJQLMWLQHOKLK-UHFFFAOYSA-N -1 3 395.213 0.056 20 0 GCADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000443055373 531195960 /nfs/dbraw/zinc/19/59/60/531195960.db2.gz XIMQTCUQUBSKNE-SNVBAGLBSA-N -1 3 376.378 0.138 20 0 GCADHM COc1cccc(C[C@@H](O)C(=O)NCC[N-]S(=O)(=O)c2cccs2)c1 ZINC000443068401 531196198 /nfs/dbraw/zinc/19/61/98/531196198.db2.gz HZGXZHAZRKDXFN-CQSZACIVSA-N -1 3 384.479 0.755 20 0 GCADHM CCOC(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000443040681 531195375 /nfs/dbraw/zinc/19/53/75/531195375.db2.gz FGEMALYHFRSPCU-LLVKDONJSA-N -1 3 378.472 0.557 20 0 GCADHM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443046040 531195449 /nfs/dbraw/zinc/19/54/49/531195449.db2.gz JJFZKIWQAGWCAS-SNVBAGLBSA-N -1 3 388.862 0.112 20 0 GCADHM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443046040 531195451 /nfs/dbraw/zinc/19/54/51/531195451.db2.gz JJFZKIWQAGWCAS-SNVBAGLBSA-N -1 3 388.862 0.112 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000443133080 531198002 /nfs/dbraw/zinc/19/80/02/531198002.db2.gz UFWKCDSJBHLBLD-UWVGGRQHSA-N -1 3 375.472 0.855 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)[N-]Cc1ccnc(-n2cccn2)c1 ZINC000443092138 531196830 /nfs/dbraw/zinc/19/68/30/531196830.db2.gz GKTFSDVUBVFSCP-UHFFFAOYSA-N -1 3 379.423 0.989 20 0 GCADHM COc1cc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c(OC)cc1Br ZINC000443106765 531197134 /nfs/dbraw/zinc/19/71/34/531197134.db2.gz XNOZGQXZKKFGSV-CYBMUJFWSA-N -1 3 396.259 0.896 20 0 GCADHM Cn1cnc(S(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000443101375 531197316 /nfs/dbraw/zinc/19/73/16/531197316.db2.gz ILCLYCKUZGJCHE-UHFFFAOYSA-N -1 3 396.853 0.469 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-]CCC[S@@](C)=O)c(C(=O)OC)s1 ZINC000443126400 531197412 /nfs/dbraw/zinc/19/74/12/531197412.db2.gz YVJPYDSJUAAWMB-JOCHJYFZSA-N -1 3 383.469 0.368 20 0 GCADHM C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)C[C@@H]1N(C)C ZINC000566485869 531198644 /nfs/dbraw/zinc/19/86/44/531198644.db2.gz CGLDMVLQISIDLU-STQMWFEESA-N -1 3 393.535 0.143 20 0 GCADHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCN(c2ccccn2)CC1 ZINC000104859880 136191287 /nfs/dbraw/zinc/19/12/87/136191287.db2.gz MUMMKAVEBQTSIG-UHFFFAOYSA-N -1 3 379.420 0.824 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000737025419 598823098 /nfs/dbraw/zinc/82/30/98/598823098.db2.gz QIEDYZIUSPRZSJ-MNOVXSKESA-N -1 3 397.457 0.534 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000737025419 598823099 /nfs/dbraw/zinc/82/30/99/598823099.db2.gz QIEDYZIUSPRZSJ-MNOVXSKESA-N -1 3 397.457 0.534 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736039281 598823818 /nfs/dbraw/zinc/82/38/18/598823818.db2.gz HYEXYPJQWQLCQB-GFCCVEGCSA-N -1 3 381.458 0.965 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736039281 598823819 /nfs/dbraw/zinc/82/38/19/598823819.db2.gz HYEXYPJQWQLCQB-GFCCVEGCSA-N -1 3 381.458 0.965 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000736037444 598823928 /nfs/dbraw/zinc/82/39/28/598823928.db2.gz GXSJBZFPNCGRQW-SMDDNHRTSA-N -1 3 381.458 0.819 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000736037444 598823929 /nfs/dbraw/zinc/82/39/29/598823929.db2.gz GXSJBZFPNCGRQW-SMDDNHRTSA-N -1 3 381.458 0.819 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)NCC(=O)N1CCCC1 ZINC000737520827 598825949 /nfs/dbraw/zinc/82/59/49/598825949.db2.gz FZLNIDWHHIGINH-UHFFFAOYSA-N -1 3 395.427 0.172 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)NCC(=O)N1CCCC1 ZINC000737520827 598825950 /nfs/dbraw/zinc/82/59/50/598825950.db2.gz FZLNIDWHHIGINH-UHFFFAOYSA-N -1 3 395.427 0.172 20 0 GCADHM COC[C@H](C)NC(=O)NC(=O)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736967317 598826231 /nfs/dbraw/zinc/82/62/31/598826231.db2.gz ARNNZVXVBFHPGQ-JTQLQIEISA-N -1 3 399.415 0.294 20 0 GCADHM COC[C@H](C)NC(=O)NC(=O)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000736967317 598826232 /nfs/dbraw/zinc/82/62/32/598826232.db2.gz ARNNZVXVBFHPGQ-JTQLQIEISA-N -1 3 399.415 0.294 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736041786 598826706 /nfs/dbraw/zinc/82/67/06/598826706.db2.gz ZELKDWIPOUWKIQ-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736041786 598826708 /nfs/dbraw/zinc/82/67/08/598826708.db2.gz ZELKDWIPOUWKIQ-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000736881187 598827235 /nfs/dbraw/zinc/82/72/35/598827235.db2.gz ANMJJERDAMAMAK-VXGBXAGGSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000736881187 598827237 /nfs/dbraw/zinc/82/72/37/598827237.db2.gz ANMJJERDAMAMAK-VXGBXAGGSA-N -1 3 394.457 0.174 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736039382 598832061 /nfs/dbraw/zinc/83/20/61/598832061.db2.gz IXABLTPAOARNFL-LBPRGKRZSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736039382 598832062 /nfs/dbraw/zinc/83/20/62/598832062.db2.gz IXABLTPAOARNFL-LBPRGKRZSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736040594 598832083 /nfs/dbraw/zinc/83/20/83/598832083.db2.gz QPSSQTRQDWINDC-LBPRGKRZSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736040594 598832084 /nfs/dbraw/zinc/83/20/84/598832084.db2.gz QPSSQTRQDWINDC-LBPRGKRZSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736041513 598832129 /nfs/dbraw/zinc/83/21/29/598832129.db2.gz XBSKVQIWOZCEOJ-NSHDSACASA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736041513 598832130 /nfs/dbraw/zinc/83/21/30/598832130.db2.gz XBSKVQIWOZCEOJ-NSHDSACASA-N -1 3 378.458 0.703 20 0 GCADHM Cn1ccnc1CN1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737615632 598832352 /nfs/dbraw/zinc/83/23/52/598832352.db2.gz JMHSDTQQCUWZFY-UHFFFAOYSA-N -1 3 395.471 0.034 20 0 GCADHM Cn1ccnc1CN1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737615632 598832354 /nfs/dbraw/zinc/83/23/54/598832354.db2.gz JMHSDTQQCUWZFY-UHFFFAOYSA-N -1 3 395.471 0.034 20 0 GCADHM COCCN(CC(=O)OC)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736989747 598836276 /nfs/dbraw/zinc/83/62/76/598836276.db2.gz GSKMEHWLKCMMOQ-UHFFFAOYSA-N -1 3 389.821 0.330 20 0 GCADHM COCCN(CC(=O)OC)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736989747 598836277 /nfs/dbraw/zinc/83/62/77/598836277.db2.gz GSKMEHWLKCMMOQ-UHFFFAOYSA-N -1 3 389.821 0.330 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)CSCC(=O)Nc1ccc(F)cc1 ZINC000737778064 598841981 /nfs/dbraw/zinc/84/19/81/598841981.db2.gz WHTFRIWBIWDIHL-UHFFFAOYSA-N -1 3 376.377 0.797 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737755178 598843679 /nfs/dbraw/zinc/84/36/79/598843679.db2.gz KFSJFAMLSYQHRF-ZDUSSCGKSA-N -1 3 388.384 0.611 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737755178 598843681 /nfs/dbraw/zinc/84/36/81/598843681.db2.gz KFSJFAMLSYQHRF-ZDUSSCGKSA-N -1 3 388.384 0.611 20 0 GCADHM COC(=O)NCCC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736937664 598846561 /nfs/dbraw/zinc/84/65/61/598846561.db2.gz ORHAZKODEAMVEC-UHFFFAOYSA-N -1 3 382.764 0.748 20 0 GCADHM COC(=O)NCCC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736937664 598846562 /nfs/dbraw/zinc/84/65/62/598846562.db2.gz ORHAZKODEAMVEC-UHFFFAOYSA-N -1 3 382.764 0.748 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736292477 598846617 /nfs/dbraw/zinc/84/66/17/598846617.db2.gz JTBVJDXFPHWZTM-NSHDSACASA-N -1 3 381.483 0.745 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736292477 598846619 /nfs/dbraw/zinc/84/66/19/598846619.db2.gz JTBVJDXFPHWZTM-NSHDSACASA-N -1 3 381.483 0.745 20 0 GCADHM COC(=O)NCCCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000736937185 598846906 /nfs/dbraw/zinc/84/69/06/598846906.db2.gz LDILABJGHPHIJM-UHFFFAOYSA-N -1 3 380.361 0.694 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000737524518 598850169 /nfs/dbraw/zinc/85/01/69/598850169.db2.gz MKYPHYDNUSAHRR-CQSZACIVSA-N -1 3 388.457 0.510 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000737524518 598850171 /nfs/dbraw/zinc/85/01/71/598850171.db2.gz MKYPHYDNUSAHRR-CQSZACIVSA-N -1 3 388.457 0.510 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735572556 598853461 /nfs/dbraw/zinc/85/34/61/598853461.db2.gz XLOSSFAYAIWXFD-NXEZZACHSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735572556 598853463 /nfs/dbraw/zinc/85/34/63/598853463.db2.gz XLOSSFAYAIWXFD-NXEZZACHSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735571402 598855019 /nfs/dbraw/zinc/85/50/19/598855019.db2.gz CUDIBOQZPRSKTA-ZJUUUORDSA-N -1 3 380.430 0.085 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735571402 598855020 /nfs/dbraw/zinc/85/50/20/598855020.db2.gz CUDIBOQZPRSKTA-ZJUUUORDSA-N -1 3 380.430 0.085 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736036812 598855177 /nfs/dbraw/zinc/85/51/77/598855177.db2.gz ARXWHKOIKFNMKX-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736036812 598855179 /nfs/dbraw/zinc/85/51/79/598855179.db2.gz ARXWHKOIKFNMKX-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736657756 598855848 /nfs/dbraw/zinc/85/58/48/598855848.db2.gz WNNBOKUFUCDBAM-JTQLQIEISA-N -1 3 380.430 0.053 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736657756 598855849 /nfs/dbraw/zinc/85/58/49/598855849.db2.gz WNNBOKUFUCDBAM-JTQLQIEISA-N -1 3 380.430 0.053 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000736902246 598860010 /nfs/dbraw/zinc/86/00/10/598860010.db2.gz SCIJNQCZHLGAPI-HNNXBMFYSA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(N2CCNC2=O)CC1 ZINC000736902246 598860011 /nfs/dbraw/zinc/86/00/11/598860011.db2.gz SCIJNQCZHLGAPI-HNNXBMFYSA-N -1 3 385.428 0.570 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NCc1ccco1 ZINC000737827234 598861743 /nfs/dbraw/zinc/86/17/43/598861743.db2.gz XXWIQKBSECZDRG-CQSZACIVSA-N -1 3 395.379 0.981 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NCc1ccco1 ZINC000737827234 598861745 /nfs/dbraw/zinc/86/17/45/598861745.db2.gz XXWIQKBSECZDRG-CQSZACIVSA-N -1 3 395.379 0.981 20 0 GCADHM COCCCNC(=O)CN(C)[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736988022 598861843 /nfs/dbraw/zinc/86/18/43/598861843.db2.gz YSSPXGQUVPYGKR-HNNXBMFYSA-N -1 3 376.417 0.165 20 0 GCADHM COCCCNC(=O)CN(C)[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736988022 598861846 /nfs/dbraw/zinc/86/18/46/598861846.db2.gz YSSPXGQUVPYGKR-HNNXBMFYSA-N -1 3 376.417 0.165 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCc2nnc(N(C)C)cc2C1 ZINC000736909238 598862868 /nfs/dbraw/zinc/86/28/68/598862868.db2.gz PGINNACAVDNKQL-KRWDZBQOSA-N -1 3 394.439 0.995 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2nnc(N(C)C)cc2C1 ZINC000736909238 598862870 /nfs/dbraw/zinc/86/28/70/598862870.db2.gz PGINNACAVDNKQL-KRWDZBQOSA-N -1 3 394.439 0.995 20 0 GCADHM C[C@@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736291898 598863092 /nfs/dbraw/zinc/86/30/92/598863092.db2.gz DPDUIEGUZALSKX-RISCZKNCSA-N -1 3 399.411 0.319 20 0 GCADHM C[C@@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736291898 598863093 /nfs/dbraw/zinc/86/30/93/598863093.db2.gz DPDUIEGUZALSKX-RISCZKNCSA-N -1 3 399.411 0.319 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736293152 598864582 /nfs/dbraw/zinc/86/45/82/598864582.db2.gz OHNTVGJEVSOLLL-VIFPVBQESA-N -1 3 384.849 0.578 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736293152 598864583 /nfs/dbraw/zinc/86/45/83/598864583.db2.gz OHNTVGJEVSOLLL-VIFPVBQESA-N -1 3 384.849 0.578 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN(c2ncccn2)CC1 ZINC000738347660 598867831 /nfs/dbraw/zinc/86/78/31/598867831.db2.gz MHHIDFYDXCCMMU-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN(c2ncccn2)CC1 ZINC000738347660 598867832 /nfs/dbraw/zinc/86/78/32/598867832.db2.gz MHHIDFYDXCCMMU-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM CNC(=O)c1cccc(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000736883117 598871939 /nfs/dbraw/zinc/87/19/39/598871939.db2.gz TUHMUYMWBSDMPS-UHFFFAOYSA-N -1 3 378.440 0.944 20 0 GCADHM CNC(=O)c1cccc(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000736883117 598871940 /nfs/dbraw/zinc/87/19/40/598871940.db2.gz TUHMUYMWBSDMPS-UHFFFAOYSA-N -1 3 378.440 0.944 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCCC[C@H]1C1OCCO1 ZINC000738348299 598873969 /nfs/dbraw/zinc/87/39/69/598873969.db2.gz UCKPETJRUVNPMC-LBPRGKRZSA-N -1 3 383.405 0.922 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCCC[C@H]1C1OCCO1 ZINC000738348299 598873971 /nfs/dbraw/zinc/87/39/71/598873971.db2.gz UCKPETJRUVNPMC-LBPRGKRZSA-N -1 3 383.405 0.922 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735572513 598874617 /nfs/dbraw/zinc/87/46/17/598874617.db2.gz XARMWEYCHLXYHV-IUCAKERBSA-N -1 3 391.450 0.448 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735572513 598874619 /nfs/dbraw/zinc/87/46/19/598874619.db2.gz XARMWEYCHLXYHV-IUCAKERBSA-N -1 3 391.450 0.448 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736295079 598875452 /nfs/dbraw/zinc/87/54/52/598875452.db2.gz YHGIWIITQKJJSF-MRVPVSSYSA-N -1 3 391.862 0.328 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736295079 598875453 /nfs/dbraw/zinc/87/54/53/598875453.db2.gz YHGIWIITQKJJSF-MRVPVSSYSA-N -1 3 391.862 0.328 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC000736910642 598875832 /nfs/dbraw/zinc/87/58/32/598875832.db2.gz XQIYOXNVDPDFKS-LBPRGKRZSA-N -1 3 377.426 0.831 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC000736910642 598875834 /nfs/dbraw/zinc/87/58/34/598875834.db2.gz XQIYOXNVDPDFKS-LBPRGKRZSA-N -1 3 377.426 0.831 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736910991 598875934 /nfs/dbraw/zinc/87/59/34/598875934.db2.gz ZBQAVAPFQSISQB-CYBMUJFWSA-N -1 3 377.426 0.831 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736910991 598875935 /nfs/dbraw/zinc/87/59/35/598875935.db2.gz ZBQAVAPFQSISQB-CYBMUJFWSA-N -1 3 377.426 0.831 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCOC[C@H]1C(F)(F)F ZINC000738348051 598876439 /nfs/dbraw/zinc/87/64/39/598876439.db2.gz QRNMJOFPUWUGNQ-JTQLQIEISA-N -1 3 381.311 0.958 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCOC[C@H]1C(F)(F)F ZINC000738348051 598876441 /nfs/dbraw/zinc/87/64/41/598876441.db2.gz QRNMJOFPUWUGNQ-JTQLQIEISA-N -1 3 381.311 0.958 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)OCCCCO ZINC000737825181 598878591 /nfs/dbraw/zinc/87/85/91/598878591.db2.gz MABXHJXQNGVCPZ-CYBMUJFWSA-N -1 3 388.384 0.387 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCCCCO ZINC000737825181 598878592 /nfs/dbraw/zinc/87/85/92/598878592.db2.gz MABXHJXQNGVCPZ-CYBMUJFWSA-N -1 3 388.384 0.387 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)OCc1ccno1 ZINC000737823824 598878732 /nfs/dbraw/zinc/87/87/32/598878732.db2.gz BJLVLXYXUKGOFL-CYBMUJFWSA-N -1 3 397.351 0.803 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCc1ccno1 ZINC000737823824 598878733 /nfs/dbraw/zinc/87/87/33/598878733.db2.gz BJLVLXYXUKGOFL-CYBMUJFWSA-N -1 3 397.351 0.803 20 0 GCADHM COC[C@@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736967616 598882184 /nfs/dbraw/zinc/88/21/84/598882184.db2.gz BPYZFBRNTONXMJ-MFKMUULPSA-N -1 3 388.384 0.650 20 0 GCADHM COC[C@@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736967616 598882186 /nfs/dbraw/zinc/88/21/86/598882186.db2.gz BPYZFBRNTONXMJ-MFKMUULPSA-N -1 3 388.384 0.650 20 0 GCADHM COC(=O)[C@H](N[C@H](C)C(=O)NCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899113 598883533 /nfs/dbraw/zinc/88/35/33/598883533.db2.gz XPCGYLDYDACOIH-IAQYHMDHSA-N -1 3 384.396 0.968 20 0 GCADHM COC(=O)[C@H](N[C@H](C)C(=O)NCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899113 598883535 /nfs/dbraw/zinc/88/35/35/598883535.db2.gz XPCGYLDYDACOIH-IAQYHMDHSA-N -1 3 384.396 0.968 20 0 GCADHM COC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894770 598884627 /nfs/dbraw/zinc/88/46/27/598884627.db2.gz IHCNJDPFFDOENR-NEPJUHHUSA-N -1 3 398.345 0.834 20 0 GCADHM COC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894770 598884629 /nfs/dbraw/zinc/88/46/29/598884629.db2.gz IHCNJDPFFDOENR-NEPJUHHUSA-N -1 3 398.345 0.834 20 0 GCADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CN1CCCS1(=O)=O ZINC000736037166 598885796 /nfs/dbraw/zinc/88/57/96/598885796.db2.gz JVKWPDZRWLLVNH-NSHDSACASA-N -1 3 381.414 0.213 20 0 GCADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CN1CCCS1(=O)=O ZINC000736037166 598885797 /nfs/dbraw/zinc/88/57/97/598885797.db2.gz JVKWPDZRWLLVNH-NSHDSACASA-N -1 3 381.414 0.213 20 0 GCADHM COCCN1C[C@H](C(=O)O[C@@H](C)COc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000737008388 598886918 /nfs/dbraw/zinc/88/69/18/598886918.db2.gz SRBAOCDMKJPDNB-GXTWGEPZSA-N -1 3 389.412 0.672 20 0 GCADHM COCCN1C[C@H](C(=O)O[C@@H](C)COc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000737008388 598886920 /nfs/dbraw/zinc/88/69/20/598886920.db2.gz SRBAOCDMKJPDNB-GXTWGEPZSA-N -1 3 389.412 0.672 20 0 GCADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1nc2ncccn2n1 ZINC000736039728 598889490 /nfs/dbraw/zinc/88/94/90/598889490.db2.gz KKSBUJQYWRXOIJ-NSHDSACASA-N -1 3 380.368 0.858 20 0 GCADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1nc2ncccn2n1 ZINC000736039728 598889491 /nfs/dbraw/zinc/88/94/91/598889491.db2.gz KKSBUJQYWRXOIJ-NSHDSACASA-N -1 3 380.368 0.858 20 0 GCADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cc1nc2ncccn2n1 ZINC000736039727 598889832 /nfs/dbraw/zinc/88/98/32/598889832.db2.gz KKSBUJQYWRXOIJ-LLVKDONJSA-N -1 3 380.368 0.858 20 0 GCADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cc1nc2ncccn2n1 ZINC000736039727 598889833 /nfs/dbraw/zinc/88/98/33/598889833.db2.gz KKSBUJQYWRXOIJ-LLVKDONJSA-N -1 3 380.368 0.858 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738040109 598892669 /nfs/dbraw/zinc/89/26/69/598892669.db2.gz SRFHKXGBTJAXBJ-LLVKDONJSA-N -1 3 384.318 0.386 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738040109 598892671 /nfs/dbraw/zinc/89/26/71/598892671.db2.gz SRFHKXGBTJAXBJ-LLVKDONJSA-N -1 3 384.318 0.386 20 0 GCADHM CCOC(=O)NCCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736600445 598895992 /nfs/dbraw/zinc/89/59/92/598895992.db2.gz LBXUJHIZMFTANZ-ZDUSSCGKSA-N -1 3 377.357 0.760 20 0 GCADHM CCOC(=O)NCCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736600445 598895993 /nfs/dbraw/zinc/89/59/93/598895993.db2.gz LBXUJHIZMFTANZ-ZDUSSCGKSA-N -1 3 377.357 0.760 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898579 598896235 /nfs/dbraw/zinc/89/62/35/598896235.db2.gz PRCFHZAWIVVMHM-VXGBXAGGSA-N -1 3 380.382 0.059 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898579 598896237 /nfs/dbraw/zinc/89/62/37/598896237.db2.gz PRCFHZAWIVVMHM-VXGBXAGGSA-N -1 3 380.382 0.059 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H](C)N1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894399 598897010 /nfs/dbraw/zinc/89/70/10/598897010.db2.gz CMHILGUIFMCPCT-LKFCYVNXSA-N -1 3 387.352 0.162 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H](C)N1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894399 598897012 /nfs/dbraw/zinc/89/70/12/598897012.db2.gz CMHILGUIFMCPCT-LKFCYVNXSA-N -1 3 387.352 0.162 20 0 GCADHM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)Cc1cc[nH]n1 ZINC000736786671 598897318 /nfs/dbraw/zinc/89/73/18/598897318.db2.gz BOFGKNCLCMTHKR-UHFFFAOYSA-N -1 3 378.400 0.846 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000735564507 598897330 /nfs/dbraw/zinc/89/73/30/598897330.db2.gz XVGNJIRTFOXPEY-NWDGAFQWSA-N -1 3 393.473 0.194 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000735564507 598897331 /nfs/dbraw/zinc/89/73/31/598897331.db2.gz XVGNJIRTFOXPEY-NWDGAFQWSA-N -1 3 393.473 0.194 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737763386 598899673 /nfs/dbraw/zinc/89/96/73/598899673.db2.gz CKZLPFDOGXSUJG-JTQLQIEISA-N -1 3 399.864 0.212 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737763386 598899674 /nfs/dbraw/zinc/89/96/74/598899674.db2.gz CKZLPFDOGXSUJG-JTQLQIEISA-N -1 3 399.864 0.212 20 0 GCADHM O=C(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737910055 598903783 /nfs/dbraw/zinc/90/37/83/598903783.db2.gz YJOCKJRJTAWGJK-GOOCMWNKSA-N -1 3 399.407 0.268 20 0 GCADHM O=C(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737910055 598903784 /nfs/dbraw/zinc/90/37/84/598903784.db2.gz YJOCKJRJTAWGJK-GOOCMWNKSA-N -1 3 399.407 0.268 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738077165 598906667 /nfs/dbraw/zinc/90/66/67/598906667.db2.gz AQFALYIIEXOJMA-JTQLQIEISA-N -1 3 386.338 0.646 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738077165 598906668 /nfs/dbraw/zinc/90/66/68/598906668.db2.gz AQFALYIIEXOJMA-JTQLQIEISA-N -1 3 386.338 0.646 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1cccs1 ZINC000736140758 598906277 /nfs/dbraw/zinc/90/62/77/598906277.db2.gz BJNJQIQDUKDOLS-INIZCTEOSA-N -1 3 388.457 0.942 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1cccs1 ZINC000736140758 598906279 /nfs/dbraw/zinc/90/62/79/598906279.db2.gz BJNJQIQDUKDOLS-INIZCTEOSA-N -1 3 388.457 0.942 20 0 GCADHM COC[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000736970209 598908386 /nfs/dbraw/zinc/90/83/86/598908386.db2.gz BUZKAPSIOBGKCW-SECBINFHSA-N -1 3 396.354 0.902 20 0 GCADHM COC[C@@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000736970209 598908388 /nfs/dbraw/zinc/90/83/88/598908388.db2.gz BUZKAPSIOBGKCW-SECBINFHSA-N -1 3 396.354 0.902 20 0 GCADHM COc1ncc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737163864 598909063 /nfs/dbraw/zinc/90/90/63/598909063.db2.gz RHTXOZKOWDJCGD-UHFFFAOYSA-N -1 3 380.412 0.623 20 0 GCADHM NC(=O)N1CC[C@H](NC(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000737760347 598911845 /nfs/dbraw/zinc/91/18/45/598911845.db2.gz ZWJXSGCJSUIZAI-LBPRGKRZSA-N -1 3 397.395 0.922 20 0 GCADHM NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)cn2)n1 ZINC000737763722 598911847 /nfs/dbraw/zinc/91/18/47/598911847.db2.gz GKVCECFJAOPALB-UHFFFAOYSA-N -1 3 375.352 0.799 20 0 GCADHM NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)cn2)n1 ZINC000737763722 598911848 /nfs/dbraw/zinc/91/18/48/598911848.db2.gz GKVCECFJAOPALB-UHFFFAOYSA-N -1 3 375.352 0.799 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H]2CCN(C(N)=O)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737485107 598912278 /nfs/dbraw/zinc/91/22/78/598912278.db2.gz ZTSQXLWXJHWWKI-LLVKDONJSA-N -1 3 390.473 0.548 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H]2CCN(C(N)=O)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737485107 598912280 /nfs/dbraw/zinc/91/22/80/598912280.db2.gz ZTSQXLWXJHWWKI-LLVKDONJSA-N -1 3 390.473 0.548 20 0 GCADHM COC(=O)C[C@H]1CSCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736912083 598912804 /nfs/dbraw/zinc/91/28/04/598912804.db2.gz PDTWVQXJCUTRPY-NSHDSACASA-N -1 3 377.426 0.753 20 0 GCADHM COC(=O)C[C@H]1CSCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736912083 598912805 /nfs/dbraw/zinc/91/28/05/598912805.db2.gz PDTWVQXJCUTRPY-NSHDSACASA-N -1 3 377.426 0.753 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736144571 598924228 /nfs/dbraw/zinc/92/42/28/598924228.db2.gz ZXHHYKSIYBMCOT-GOSISDBHSA-N -1 3 384.371 0.968 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736144571 598924230 /nfs/dbraw/zinc/92/42/30/598924230.db2.gz ZXHHYKSIYBMCOT-GOSISDBHSA-N -1 3 384.371 0.968 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1NS(=O)(=O)N1CCCC1 ZINC000737776630 598924642 /nfs/dbraw/zinc/92/46/42/598924642.db2.gz NBYOWAJRZROHOX-UHFFFAOYSA-N -1 3 375.418 0.387 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1NS(=O)(=O)N1CCCC1 ZINC000737776630 598924643 /nfs/dbraw/zinc/92/46/43/598924643.db2.gz NBYOWAJRZROHOX-UHFFFAOYSA-N -1 3 375.418 0.387 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735875003 598927611 /nfs/dbraw/zinc/92/76/11/598927611.db2.gz JAYLRWFUAFPMRZ-JKSUJKDBSA-N -1 3 383.456 0.961 20 0 GCADHM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736912768 598929336 /nfs/dbraw/zinc/92/93/36/598929336.db2.gz HJMIMUMDHGGDOF-HNNXBMFYSA-N -1 3 389.412 0.816 20 0 GCADHM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736912768 598929337 /nfs/dbraw/zinc/92/93/37/598929337.db2.gz HJMIMUMDHGGDOF-HNNXBMFYSA-N -1 3 389.412 0.816 20 0 GCADHM O=C([C@@H]1CSC(=O)N1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738316071 598931268 /nfs/dbraw/zinc/93/12/68/598931268.db2.gz PFTNNCVZVIJMRA-JTQLQIEISA-N -1 3 377.405 0.479 20 0 GCADHM O=C([C@@H]1CSC(=O)N1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738316071 598931270 /nfs/dbraw/zinc/93/12/70/598931270.db2.gz PFTNNCVZVIJMRA-JTQLQIEISA-N -1 3 377.405 0.479 20 0 GCADHM O=C([C@H]1CSC(=O)N1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738316118 598931511 /nfs/dbraw/zinc/93/15/11/598931511.db2.gz PXMJELZUQXLYSO-LLVKDONJSA-N -1 3 377.405 0.479 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000737298887 598931778 /nfs/dbraw/zinc/93/17/78/598931778.db2.gz MJCBRSJBADBXQF-AWEZNQCLSA-N -1 3 384.421 0.780 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000737298887 598931779 /nfs/dbraw/zinc/93/17/79/598931779.db2.gz MJCBRSJBADBXQF-AWEZNQCLSA-N -1 3 384.421 0.780 20 0 GCADHM C[C@H](O)C1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CC1 ZINC000736143005 598932934 /nfs/dbraw/zinc/93/29/34/598932934.db2.gz HJTKNLHOIMDVLU-HXPMCKFVSA-N -1 3 399.455 0.684 20 0 GCADHM C[C@H](O)C1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CC1 ZINC000736143005 598932936 /nfs/dbraw/zinc/93/29/36/598932936.db2.gz HJTKNLHOIMDVLU-HXPMCKFVSA-N -1 3 399.455 0.684 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000735538740 598934172 /nfs/dbraw/zinc/93/41/72/598934172.db2.gz YMMORJLAPHCQKV-LBPRGKRZSA-N -1 3 393.455 0.599 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1nnc(C)n1CC(N)=O ZINC000737032851 598940262 /nfs/dbraw/zinc/94/02/62/598940262.db2.gz QKEFIEWERMKPAL-UHFFFAOYSA-N -1 3 390.429 0.432 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1nnc(C)n1CC(N)=O ZINC000737032851 598940263 /nfs/dbraw/zinc/94/02/63/598940263.db2.gz QKEFIEWERMKPAL-UHFFFAOYSA-N -1 3 390.429 0.432 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000737297968 598946880 /nfs/dbraw/zinc/94/68/80/598946880.db2.gz HNTBDZNMWVJUSD-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000737297968 598946881 /nfs/dbraw/zinc/94/68/81/598946881.db2.gz HNTBDZNMWVJUSD-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM COC(=O)CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C[C@H]1CCCO1 ZINC000736912747 598946895 /nfs/dbraw/zinc/94/68/95/598946895.db2.gz GRSNNUDJKMEWRV-OAHLLOKOSA-N -1 3 388.428 0.849 20 0 GCADHM CC(C)CCn1cc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)nn1 ZINC000735817784 598949779 /nfs/dbraw/zinc/94/97/79/598949779.db2.gz DMDVGWBZUPCPEV-UHFFFAOYSA-N -1 3 396.459 0.862 20 0 GCADHM CC(C)CCn1cc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)nn1 ZINC000735817784 598949781 /nfs/dbraw/zinc/94/97/81/598949781.db2.gz DMDVGWBZUPCPEV-UHFFFAOYSA-N -1 3 396.459 0.862 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000737297770 598954615 /nfs/dbraw/zinc/95/46/15/598954615.db2.gz LGOALKGIRQGIJZ-CQSZACIVSA-N -1 3 386.437 0.550 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000737297770 598954617 /nfs/dbraw/zinc/95/46/17/598954617.db2.gz LGOALKGIRQGIJZ-CQSZACIVSA-N -1 3 386.437 0.550 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(C2OCCO2)CC1 ZINC000737297074 598956686 /nfs/dbraw/zinc/95/66/86/598956686.db2.gz SRBQHYJNAJHAND-UHFFFAOYSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(C2OCCO2)CC1 ZINC000737297074 598956689 /nfs/dbraw/zinc/95/66/89/598956689.db2.gz SRBQHYJNAJHAND-UHFFFAOYSA-N -1 3 379.442 0.949 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000735474090 598954337 /nfs/dbraw/zinc/95/43/37/598954337.db2.gz GTRGOQSUZKNELU-ZDUSSCGKSA-N -1 3 378.458 0.712 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000735474090 598954338 /nfs/dbraw/zinc/95/43/38/598954338.db2.gz GTRGOQSUZKNELU-ZDUSSCGKSA-N -1 3 378.458 0.712 20 0 GCADHM CC(C)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1=O ZINC000735881261 598959173 /nfs/dbraw/zinc/95/91/73/598959173.db2.gz IHAUEHKRIYBEEU-LBPRGKRZSA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1=O ZINC000735881261 598959174 /nfs/dbraw/zinc/95/91/74/598959174.db2.gz IHAUEHKRIYBEEU-LBPRGKRZSA-N -1 3 384.849 0.808 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736744598 598959846 /nfs/dbraw/zinc/95/98/46/598959846.db2.gz BAMYPHDCXZPOFU-OLZOCXBDSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736744598 598959847 /nfs/dbraw/zinc/95/98/47/598959847.db2.gz BAMYPHDCXZPOFU-OLZOCXBDSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)Cn1ccc(N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000736752384 598961679 /nfs/dbraw/zinc/96/16/79/598961679.db2.gz WRCNQGCZSZIBKW-AWEZNQCLSA-N -1 3 395.427 0.369 20 0 GCADHM CN(C)C(=O)Cn1ccc(N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000736752384 598961681 /nfs/dbraw/zinc/96/16/81/598961681.db2.gz WRCNQGCZSZIBKW-AWEZNQCLSA-N -1 3 395.427 0.369 20 0 GCADHM COC(=O)c1ccc(CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)o1 ZINC000736947140 598962608 /nfs/dbraw/zinc/96/26/08/598962608.db2.gz DNWHHIDLEXVFHF-UHFFFAOYSA-N -1 3 386.372 0.553 20 0 GCADHM COC(=O)c1ccc(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)o1 ZINC000736947140 598962609 /nfs/dbraw/zinc/96/26/09/598962609.db2.gz DNWHHIDLEXVFHF-UHFFFAOYSA-N -1 3 386.372 0.553 20 0 GCADHM Cc1c([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cccc1-c1nn[nH]n1 ZINC000822121983 607255109 /nfs/dbraw/zinc/25/51/09/607255109.db2.gz IVANQAKANLIMHW-UHFFFAOYSA-N -1 3 383.397 0.952 20 0 GCADHM CS(=O)(=O)Cc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000737163125 598963426 /nfs/dbraw/zinc/96/34/26/598963426.db2.gz SSHGBXWMQBGSLT-LBPRGKRZSA-N -1 3 388.457 0.762 20 0 GCADHM CS(=O)(=O)Cc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000737163125 598963428 /nfs/dbraw/zinc/96/34/28/598963428.db2.gz SSHGBXWMQBGSLT-LBPRGKRZSA-N -1 3 388.457 0.762 20 0 GCADHM C[C@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCO1 ZINC000736155053 598964260 /nfs/dbraw/zinc/96/42/60/598964260.db2.gz GJWJTOJVNXCKIM-SMDDNHRTSA-N -1 3 375.385 0.472 20 0 GCADHM C[C@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCO1 ZINC000736155053 598964262 /nfs/dbraw/zinc/96/42/62/598964262.db2.gz GJWJTOJVNXCKIM-SMDDNHRTSA-N -1 3 375.385 0.472 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736706716 598970360 /nfs/dbraw/zinc/97/03/60/598970360.db2.gz VMTZDBANHIHEOE-AAEUAGOBSA-N -1 3 382.428 0.919 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736706721 598970585 /nfs/dbraw/zinc/97/05/85/598970585.db2.gz VMTZDBANHIHEOE-WCQYABFASA-N -1 3 382.428 0.919 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)CC2 ZINC000736705791 598970718 /nfs/dbraw/zinc/97/07/18/598970718.db2.gz NXRCYXRWVOGLSF-NWDGAFQWSA-N -1 3 382.428 0.919 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)CC2 ZINC000736705791 598970720 /nfs/dbraw/zinc/97/07/20/598970720.db2.gz NXRCYXRWVOGLSF-NWDGAFQWSA-N -1 3 382.428 0.919 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(-c3nnn[n-]3)ccc1C)CC2 ZINC000736705875 598971689 /nfs/dbraw/zinc/97/16/89/598971689.db2.gz ONGAOSZJHPGWFA-LBPRGKRZSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1cc(-c3nn[n-]n3)ccc1C)CC2 ZINC000736705875 598971691 /nfs/dbraw/zinc/97/16/91/598971691.db2.gz ONGAOSZJHPGWFA-LBPRGKRZSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000736704646 598972741 /nfs/dbraw/zinc/97/27/41/598972741.db2.gz AFFFQLQGPQPCNL-LBPRGKRZSA-N -1 3 385.407 0.974 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000736704646 598972743 /nfs/dbraw/zinc/97/27/43/598972743.db2.gz AFFFQLQGPQPCNL-LBPRGKRZSA-N -1 3 385.407 0.974 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736328859 598972871 /nfs/dbraw/zinc/97/28/71/598972871.db2.gz IINUEESGQGMIRB-WFASDCNBSA-N -1 3 388.476 0.937 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736328859 598972872 /nfs/dbraw/zinc/97/28/72/598972872.db2.gz IINUEESGQGMIRB-WFASDCNBSA-N -1 3 388.476 0.937 20 0 GCADHM CN(Cc1nnc2ccccn21)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736829810 598973397 /nfs/dbraw/zinc/97/33/97/598973397.db2.gz DKKJPWYKJAJZPY-UHFFFAOYSA-N -1 3 393.415 0.558 20 0 GCADHM CN(Cc1nnc2ccccn21)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736829810 598973399 /nfs/dbraw/zinc/97/33/99/598973399.db2.gz DKKJPWYKJAJZPY-UHFFFAOYSA-N -1 3 393.415 0.558 20 0 GCADHM CCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000736536070 598980511 /nfs/dbraw/zinc/98/05/11/598980511.db2.gz AWEKKVKDRSVLOZ-ZDUSSCGKSA-N -1 3 381.458 0.763 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C(=O)N[C@H](CCSC)C1=O ZINC000737033723 598978118 /nfs/dbraw/zinc/97/81/18/598978118.db2.gz YNGYXTRUGYPFTE-LLVKDONJSA-N -1 3 392.441 0.928 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1C(=O)N[C@H](CCSC)C1=O ZINC000737033723 598978120 /nfs/dbraw/zinc/97/81/20/598978120.db2.gz YNGYXTRUGYPFTE-LLVKDONJSA-N -1 3 392.441 0.928 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000737033718 598983713 /nfs/dbraw/zinc/98/37/13/598983713.db2.gz YJIGRQMDVNOZNR-CYBMUJFWSA-N -1 3 396.473 0.268 20 0 GCADHM O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738076606 598983926 /nfs/dbraw/zinc/98/39/26/598983926.db2.gz VINFNRJBHPOMDK-UHFFFAOYSA-N -1 3 392.467 0.809 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCO[C@@H](Cn2cccn2)C1 ZINC000737031549 598985894 /nfs/dbraw/zinc/98/58/94/598985894.db2.gz ACGOVYPMVYLWAK-OAHLLOKOSA-N -1 3 385.428 0.852 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCO[C@@H](Cn2cncn2)C1 ZINC000737032189 598985987 /nfs/dbraw/zinc/98/59/87/598985987.db2.gz JBWYQEDDIIRQBK-CQSZACIVSA-N -1 3 386.416 0.247 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000736882104 598986927 /nfs/dbraw/zinc/98/69/27/598986927.db2.gz IQAIVLJJOJJXEH-CYBMUJFWSA-N -1 3 396.473 0.268 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000737033433 598987976 /nfs/dbraw/zinc/98/79/76/598987976.db2.gz WRHDJZGCAUXXTC-NWDGAFQWSA-N -1 3 381.458 0.762 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000737033433 598987978 /nfs/dbraw/zinc/98/79/78/598987978.db2.gz WRHDJZGCAUXXTC-NWDGAFQWSA-N -1 3 381.458 0.762 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)C[C@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000737549671 598995385 /nfs/dbraw/zinc/99/53/85/598995385.db2.gz WOCHXJCFRHLVMA-CMPLNLGQSA-N -1 3 396.473 0.770 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)CCCS(C)(=O)=O ZINC000737031388 598995678 /nfs/dbraw/zinc/99/56/78/598995678.db2.gz AZOLFNNSMIBULA-UHFFFAOYSA-N -1 3 376.416 0.019 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)CCCS(C)(=O)=O ZINC000737031388 598995679 /nfs/dbraw/zinc/99/56/79/598995679.db2.gz AZOLFNNSMIBULA-UHFFFAOYSA-N -1 3 376.416 0.019 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCNC(=O)c1ccco1 ZINC000737223363 598998134 /nfs/dbraw/zinc/99/81/34/598998134.db2.gz FZBBTAHRDLDCRQ-UHFFFAOYSA-N -1 3 376.398 0.476 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCNC(=O)c1ccco1 ZINC000737223363 598998135 /nfs/dbraw/zinc/99/81/35/598998135.db2.gz FZBBTAHRDLDCRQ-UHFFFAOYSA-N -1 3 376.398 0.476 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000737224644 598998178 /nfs/dbraw/zinc/99/81/78/598998178.db2.gz YVCPZNVBZPRFLS-HNNXBMFYSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000737224644 598998179 /nfs/dbraw/zinc/99/81/79/598998179.db2.gz YVCPZNVBZPRFLS-HNNXBMFYSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC(=O)NCC(F)(F)F ZINC000737223168 598999320 /nfs/dbraw/zinc/99/93/20/598999320.db2.gz BCIJPSOHVMYYFL-UHFFFAOYSA-N -1 3 378.336 0.132 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC(=O)NCC(F)(F)F ZINC000737223168 598999322 /nfs/dbraw/zinc/99/93/22/598999322.db2.gz BCIJPSOHVMYYFL-UHFFFAOYSA-N -1 3 378.336 0.132 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000736304316 598999891 /nfs/dbraw/zinc/99/98/91/598999891.db2.gz OJVOIHUBEKOHAD-UHFFFAOYSA-N -1 3 378.458 0.808 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000736304316 598999892 /nfs/dbraw/zinc/99/98/92/598999892.db2.gz OJVOIHUBEKOHAD-UHFFFAOYSA-N -1 3 378.458 0.808 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(C2OCCO2)CC1 ZINC000737220160 599002100 /nfs/dbraw/zinc/00/21/00/599002100.db2.gz DLWGTVGFAZVQCO-UHFFFAOYSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(C2OCCO2)CC1 ZINC000737220160 599002102 /nfs/dbraw/zinc/00/21/02/599002102.db2.gz DLWGTVGFAZVQCO-UHFFFAOYSA-N -1 3 379.442 0.949 20 0 GCADHM CC(=O)N1CCC(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000735461430 599003543 /nfs/dbraw/zinc/00/35/43/599003543.db2.gz SDVPUCHOHIQDNQ-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM CC(=O)N1CCC(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000735461430 599003544 /nfs/dbraw/zinc/00/35/44/599003544.db2.gz SDVPUCHOHIQDNQ-UHFFFAOYSA-N -1 3 378.458 0.712 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000737223298 599003788 /nfs/dbraw/zinc/00/37/88/599003788.db2.gz DXWNMVSCVIBJEU-QWHCGFSZSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000737223298 599003790 /nfs/dbraw/zinc/00/37/90/599003790.db2.gz DXWNMVSCVIBJEU-QWHCGFSZSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000737223299 599003798 /nfs/dbraw/zinc/00/37/98/599003798.db2.gz DXWNMVSCVIBJEU-STQMWFEESA-N -1 3 380.474 0.563 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000737223299 599003800 /nfs/dbraw/zinc/00/38/00/599003800.db2.gz DXWNMVSCVIBJEU-STQMWFEESA-N -1 3 380.474 0.563 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 ZINC000737221062 599004993 /nfs/dbraw/zinc/00/49/93/599004993.db2.gz HQHAVBOAPWPSPX-UHFFFAOYSA-N -1 3 386.437 0.851 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 ZINC000737221062 599004994 /nfs/dbraw/zinc/00/49/94/599004994.db2.gz HQHAVBOAPWPSPX-UHFFFAOYSA-N -1 3 386.437 0.851 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CCN1CCOC ZINC000736408873 599006031 /nfs/dbraw/zinc/00/60/31/599006031.db2.gz VYUTWJQOTSMZQP-HNNXBMFYSA-N -1 3 394.501 0.906 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CCN1CCOC ZINC000736408873 599006034 /nfs/dbraw/zinc/00/60/34/599006034.db2.gz VYUTWJQOTSMZQP-HNNXBMFYSA-N -1 3 394.501 0.906 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCOC[C@H]1CCOC1 ZINC000737224745 599008404 /nfs/dbraw/zinc/00/84/04/599008404.db2.gz ZYMLDZBHWZTIDC-CYBMUJFWSA-N -1 3 381.458 0.897 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCOC[C@H]1CCOC1 ZINC000737224745 599008406 /nfs/dbraw/zinc/00/84/06/599008406.db2.gz ZYMLDZBHWZTIDC-CYBMUJFWSA-N -1 3 381.458 0.897 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000737298967 599010290 /nfs/dbraw/zinc/01/02/90/599010290.db2.gz UPQRUBGMQQCKMJ-STQMWFEESA-N -1 3 399.498 0.809 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000737298967 599010292 /nfs/dbraw/zinc/01/02/92/599010292.db2.gz UPQRUBGMQQCKMJ-STQMWFEESA-N -1 3 399.498 0.809 20 0 GCADHM CC(C)(C)N1C[C@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000735617821 599014861 /nfs/dbraw/zinc/01/48/61/599014861.db2.gz ARRZPPWCZKVCMN-OCCSQVGLSA-N -1 3 386.412 0.583 20 0 GCADHM CC(C)(C)N1C[C@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735617821 599014862 /nfs/dbraw/zinc/01/48/62/599014862.db2.gz ARRZPPWCZKVCMN-OCCSQVGLSA-N -1 3 386.412 0.583 20 0 GCADHM Cn1cc([C@@H]2[C@H](C(=O)NCc3cccc(-c4nnn[n-]4)c3)CCC(=O)N2C)cn1 ZINC000736844321 599015663 /nfs/dbraw/zinc/01/56/63/599015663.db2.gz VSOAJSOEBQMHJJ-NVXWUHKLSA-N -1 3 394.439 0.826 20 0 GCADHM Cn1cc([C@@H]2[C@H](C(=O)NCc3cccc(-c4nn[n-]n4)c3)CCC(=O)N2C)cn1 ZINC000736844321 599015665 /nfs/dbraw/zinc/01/56/65/599015665.db2.gz VSOAJSOEBQMHJJ-NVXWUHKLSA-N -1 3 394.439 0.826 20 0 GCADHM CC(=O)Nc1nnc(S[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735488180 599012840 /nfs/dbraw/zinc/01/28/40/599012840.db2.gz FFOQTMIJBZALKT-VIFPVBQESA-N -1 3 376.427 0.995 20 0 GCADHM CC(=O)Nc1nnc(S[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735488180 599012842 /nfs/dbraw/zinc/01/28/42/599012842.db2.gz FFOQTMIJBZALKT-VIFPVBQESA-N -1 3 376.427 0.995 20 0 GCADHM CCc1nc(CS(=O)(=O)CCOc2ccc(-c3nnn[n-]3)cc2OC)no1 ZINC000736704730 599019316 /nfs/dbraw/zinc/01/93/16/599019316.db2.gz SFTNLGBHGGYAGW-UHFFFAOYSA-N -1 3 394.413 0.815 20 0 GCADHM CCc1nc(CS(=O)(=O)CCOc2ccc(-c3nn[n-]n3)cc2OC)no1 ZINC000736704730 599019317 /nfs/dbraw/zinc/01/93/17/599019317.db2.gz SFTNLGBHGGYAGW-UHFFFAOYSA-N -1 3 394.413 0.815 20 0 GCADHM CCN1C(=O)N=NC1S(=O)(=O)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736713142 599023726 /nfs/dbraw/zinc/02/37/26/599023726.db2.gz FUVNFIPTUHCALL-UHFFFAOYSA-N -1 3 395.401 0.045 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ncccc1-c1nnn[n-]1)c1ccsc1 ZINC000736144561 599023935 /nfs/dbraw/zinc/02/39/35/599023935.db2.gz ZUQZVESWLVCRBA-INIZCTEOSA-N -1 3 388.457 0.942 20 0 GCADHM C[C@](O)(CNC(=O)NCCNc1ncccc1-c1nn[n-]n1)c1ccsc1 ZINC000736144561 599023937 /nfs/dbraw/zinc/02/39/37/599023937.db2.gz ZUQZVESWLVCRBA-INIZCTEOSA-N -1 3 388.457 0.942 20 0 GCADHM COC(=O)[C@@H](C)CS(=O)(=O)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736892878 599024092 /nfs/dbraw/zinc/02/40/92/599024092.db2.gz PNVIQFBWIQRKFJ-JTQLQIEISA-N -1 3 384.414 0.478 20 0 GCADHM COC(=O)[C@@H](C)CS(=O)(=O)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736892878 599024094 /nfs/dbraw/zinc/02/40/94/599024094.db2.gz PNVIQFBWIQRKFJ-JTQLQIEISA-N -1 3 384.414 0.478 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](C)C[C@@H](C)O ZINC000736637230 599025542 /nfs/dbraw/zinc/02/55/42/599025542.db2.gz UJZGPLRZNVHBSS-GHMZBOCLSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](C)C[C@@H](C)O ZINC000736637230 599025546 /nfs/dbraw/zinc/02/55/46/599025546.db2.gz UJZGPLRZNVHBSS-GHMZBOCLSA-N -1 3 376.417 0.727 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737161827 599025569 /nfs/dbraw/zinc/02/55/69/599025569.db2.gz MFBASAXWEHISBL-OLZOCXBDSA-N -1 3 392.441 0.277 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737161827 599025572 /nfs/dbraw/zinc/02/55/72/599025572.db2.gz MFBASAXWEHISBL-OLZOCXBDSA-N -1 3 392.441 0.277 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000736634817 599025716 /nfs/dbraw/zinc/02/57/16/599025716.db2.gz JKQBBRSATRUPOD-GXTWGEPZSA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000736634817 599025718 /nfs/dbraw/zinc/02/57/18/599025718.db2.gz JKQBBRSATRUPOD-GXTWGEPZSA-N -1 3 388.428 0.871 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737162338 599025862 /nfs/dbraw/zinc/02/58/62/599025862.db2.gz PCUCLPMNFWPQOM-QWHCGFSZSA-N -1 3 392.441 0.277 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737162338 599025863 /nfs/dbraw/zinc/02/58/63/599025863.db2.gz PCUCLPMNFWPQOM-QWHCGFSZSA-N -1 3 392.441 0.277 20 0 GCADHM O=C(NCCCOCC1CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738076882 599025980 /nfs/dbraw/zinc/02/59/80/599025980.db2.gz WSKRQICCEZONNV-UHFFFAOYSA-N -1 3 388.428 0.755 20 0 GCADHM O=C(NCCCOCC1CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738076882 599025982 /nfs/dbraw/zinc/02/59/82/599025982.db2.gz WSKRQICCEZONNV-UHFFFAOYSA-N -1 3 388.428 0.755 20 0 GCADHM O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738037389 599026132 /nfs/dbraw/zinc/02/61/32/599026132.db2.gz HCELZSXIUMXDPW-ZDUSSCGKSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738037389 599026134 /nfs/dbraw/zinc/02/61/34/599026134.db2.gz HCELZSXIUMXDPW-ZDUSSCGKSA-N -1 3 388.334 0.933 20 0 GCADHM CCn1cc(CN2CCCN(C(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC000736722120 599029731 /nfs/dbraw/zinc/02/97/31/599029731.db2.gz OSOAQFSGEPACAK-UHFFFAOYSA-N -1 3 381.444 0.826 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCOC[C@H]1CCCO1 ZINC000737023195 599034185 /nfs/dbraw/zinc/03/41/85/599034185.db2.gz HWLVUFPFNRKGFE-CYBMUJFWSA-N -1 3 377.401 0.566 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCOC[C@H]1CCCO1 ZINC000737023195 599034186 /nfs/dbraw/zinc/03/41/86/599034186.db2.gz HWLVUFPFNRKGFE-CYBMUJFWSA-N -1 3 377.401 0.566 20 0 GCADHM CN(CCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)S(C)(=O)=O ZINC000736802250 599043389 /nfs/dbraw/zinc/04/33/89/599043389.db2.gz ZAVHGUPRIHPUFC-UHFFFAOYSA-N -1 3 379.368 0.974 20 0 GCADHM CN(CCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)S(C)(=O)=O ZINC000736802250 599043392 /nfs/dbraw/zinc/04/33/92/599043392.db2.gz ZAVHGUPRIHPUFC-UHFFFAOYSA-N -1 3 379.368 0.974 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000736592876 599048113 /nfs/dbraw/zinc/04/81/13/599048113.db2.gz FGIAYRYYNVAGLU-GJZGRUSLSA-N -1 3 386.412 0.236 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000736592876 599048116 /nfs/dbraw/zinc/04/81/16/599048116.db2.gz FGIAYRYYNVAGLU-GJZGRUSLSA-N -1 3 386.412 0.236 20 0 GCADHM CCOC(=O)[C@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736595140 599048456 /nfs/dbraw/zinc/04/84/56/599048456.db2.gz VCOWQKUYKUGAFK-CYBMUJFWSA-N -1 3 394.819 0.723 20 0 GCADHM CCOC(=O)[C@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000736595140 599048458 /nfs/dbraw/zinc/04/84/58/599048458.db2.gz VCOWQKUYKUGAFK-CYBMUJFWSA-N -1 3 394.819 0.723 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000736595003 599048529 /nfs/dbraw/zinc/04/85/29/599048529.db2.gz UNJOYHBXWMSISG-PWSUYJOCSA-N -1 3 392.416 0.667 20 0 GCADHM Cn1c(NCCOc2ccc(-c3nn[n-]n3)cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000822601032 599048607 /nfs/dbraw/zinc/04/86/07/599048607.db2.gz SIYXKNNSXOZTSC-UHFFFAOYSA-N -1 3 383.372 0.044 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000736594998 599048793 /nfs/dbraw/zinc/04/87/93/599048793.db2.gz UNJOYHBXWMSISG-JQWIXIFHSA-N -1 3 392.416 0.667 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000736182308 599054124 /nfs/dbraw/zinc/05/41/24/599054124.db2.gz CZZHJVDDYLCLAO-PFUSGODGSA-N -1 3 392.485 0.157 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000736182308 599054128 /nfs/dbraw/zinc/05/41/28/599054128.db2.gz CZZHJVDDYLCLAO-PFUSGODGSA-N -1 3 392.485 0.157 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000737775939 599054961 /nfs/dbraw/zinc/05/49/61/599054961.db2.gz INUJSIWRGPNOFW-JTQLQIEISA-N -1 3 396.367 0.110 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000736884400 599056454 /nfs/dbraw/zinc/05/64/54/599056454.db2.gz TVBLAJHQDVEUBS-QMMMGPOBSA-N -1 3 391.379 0.799 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000736884400 599056457 /nfs/dbraw/zinc/05/64/57/599056457.db2.gz TVBLAJHQDVEUBS-QMMMGPOBSA-N -1 3 391.379 0.799 20 0 GCADHM Cn1cc(C(=O)COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737604588 599056674 /nfs/dbraw/zinc/05/66/74/599056674.db2.gz YWMPHRGSWAIKLQ-OAHLLOKOSA-N -1 3 381.396 0.995 20 0 GCADHM NC(=O)[C@H](OC(=O)CN1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738501 599056921 /nfs/dbraw/zinc/05/69/21/599056921.db2.gz VVVFZKIJUHUEEB-QGZVFWFLSA-N -1 3 378.392 0.999 20 0 GCADHM NC(=O)[C@H](OC(=O)CN1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738501 599056924 /nfs/dbraw/zinc/05/69/24/599056924.db2.gz VVVFZKIJUHUEEB-QGZVFWFLSA-N -1 3 378.392 0.999 20 0 GCADHM Cc1nnc(NCc2cc(S(N)(=O)=O)ccc2F)c(-c2nnn[n-]2)c1C ZINC000737519228 599058314 /nfs/dbraw/zinc/05/83/14/599058314.db2.gz BSALPFWDISNZQX-UHFFFAOYSA-N -1 3 378.393 0.672 20 0 GCADHM Cc1nnc(NCc2cc(S(N)(=O)=O)ccc2F)c(-c2nn[n-]n2)c1C ZINC000737519228 599058317 /nfs/dbraw/zinc/05/83/17/599058317.db2.gz BSALPFWDISNZQX-UHFFFAOYSA-N -1 3 378.393 0.672 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1)C(C)C ZINC000736965185 599058631 /nfs/dbraw/zinc/05/86/31/599058631.db2.gz AEHAISDUVUCDAN-INIZCTEOSA-N -1 3 386.412 0.950 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1)C(C)C ZINC000736965185 599058633 /nfs/dbraw/zinc/05/86/33/599058633.db2.gz AEHAISDUVUCDAN-INIZCTEOSA-N -1 3 386.412 0.950 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C)o1 ZINC000737058613 599061249 /nfs/dbraw/zinc/06/12/49/599061249.db2.gz NNBPZVDVCNRTEH-GFCCVEGCSA-N -1 3 386.368 0.565 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C)o1 ZINC000737058613 599061252 /nfs/dbraw/zinc/06/12/52/599061252.db2.gz NNBPZVDVCNRTEH-GFCCVEGCSA-N -1 3 386.368 0.565 20 0 GCADHM CC(C)(C)OC(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735633114 599067372 /nfs/dbraw/zinc/06/73/72/599067372.db2.gz MIDVMPRQIDJUJO-CQSZACIVSA-N -1 3 387.444 0.946 20 0 GCADHM CC(C)(C)OC(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735633114 599067375 /nfs/dbraw/zinc/06/73/75/599067375.db2.gz MIDVMPRQIDJUJO-CQSZACIVSA-N -1 3 387.444 0.946 20 0 GCADHM Cc1nc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000737478614 599067804 /nfs/dbraw/zinc/06/78/04/599067804.db2.gz UOJXGBIVQVXFNR-MRXNPFEDSA-N -1 3 398.496 0.976 20 0 GCADHM Cc1nc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cs1 ZINC000737478614 599067807 /nfs/dbraw/zinc/06/78/07/599067807.db2.gz UOJXGBIVQVXFNR-MRXNPFEDSA-N -1 3 398.496 0.976 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000737738162 599068847 /nfs/dbraw/zinc/06/88/47/599068847.db2.gz FOCWGMWPJJPZEP-INIZCTEOSA-N -1 3 383.456 0.728 20 0 GCADHM CC(C)C(=O)NC[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735685187 599071643 /nfs/dbraw/zinc/07/16/43/599071643.db2.gz RCDWPPSKYPLUPB-CZUORRHYSA-N -1 3 385.472 0.877 20 0 GCADHM Cc1ncc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000737492492 599075802 /nfs/dbraw/zinc/07/58/02/599075802.db2.gz TXGGWQJZHDCDGL-MRXNPFEDSA-N -1 3 398.496 0.976 20 0 GCADHM Cc1ncc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000737492492 599075805 /nfs/dbraw/zinc/07/58/05/599075805.db2.gz TXGGWQJZHDCDGL-MRXNPFEDSA-N -1 3 398.496 0.976 20 0 GCADHM CN(C[C@H](O)COCc1ccccc1)[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736789050 599078040 /nfs/dbraw/zinc/07/80/40/599078040.db2.gz SPUPXMVWFQWYKC-ZWKOTPCHSA-N -1 3 396.451 0.903 20 0 GCADHM CN(C[C@H](O)COCc1ccccc1)[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736789050 599078043 /nfs/dbraw/zinc/07/80/43/599078043.db2.gz SPUPXMVWFQWYKC-ZWKOTPCHSA-N -1 3 396.451 0.903 20 0 GCADHM O=C(CN1CCC[C@@H](OCCO)C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737876386 599078753 /nfs/dbraw/zinc/07/87/53/599078753.db2.gz QBMHHDPUDVPLBE-GFCCVEGCSA-N -1 3 380.836 0.932 20 0 GCADHM O=C(CN1CCC[C@@H](OCCO)C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737876386 599078756 /nfs/dbraw/zinc/07/87/56/599078756.db2.gz QBMHHDPUDVPLBE-GFCCVEGCSA-N -1 3 380.836 0.932 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738019108 599086165 /nfs/dbraw/zinc/08/61/65/599086165.db2.gz CZXKLXGIIFILJF-CQSZACIVSA-N -1 3 393.407 0.671 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738019108 599086168 /nfs/dbraw/zinc/08/61/68/599086168.db2.gz CZXKLXGIIFILJF-CQSZACIVSA-N -1 3 393.407 0.671 20 0 GCADHM COc1cccc(C(=O)NCCN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737122108 599089321 /nfs/dbraw/zinc/08/93/21/599089321.db2.gz RGYWXGRUMIEGMT-MRXNPFEDSA-N -1 3 395.423 0.421 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)COc3ccccc3-c3nnn[n-]3)C2)cn1 ZINC000737612708 599091807 /nfs/dbraw/zinc/09/18/07/599091807.db2.gz ZJEFGQYTFBXXAW-ZDUSSCGKSA-N -1 3 382.428 0.764 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)COc3ccccc3-c3nn[n-]n3)C2)cn1 ZINC000737612708 599091808 /nfs/dbraw/zinc/09/18/08/599091808.db2.gz ZJEFGQYTFBXXAW-ZDUSSCGKSA-N -1 3 382.428 0.764 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)c2sccc2-c2nnn[n-]2)cn1 ZINC000737006625 599093647 /nfs/dbraw/zinc/09/36/47/599093647.db2.gz LAQJPOFZKNHMAD-UHFFFAOYSA-N -1 3 376.402 0.140 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)c2sccc2-c2nn[n-]n2)cn1 ZINC000737006625 599093650 /nfs/dbraw/zinc/09/36/50/599093650.db2.gz LAQJPOFZKNHMAD-UHFFFAOYSA-N -1 3 376.402 0.140 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cn1 ZINC000737006173 599093856 /nfs/dbraw/zinc/09/38/56/599093856.db2.gz HLQGBPAIFPUVNU-VOTSOKGWSA-N -1 3 396.411 0.478 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cn1 ZINC000737006173 599093858 /nfs/dbraw/zinc/09/38/58/599093858.db2.gz HLQGBPAIFPUVNU-VOTSOKGWSA-N -1 3 396.411 0.478 20 0 GCADHM COc1ccc(CNC(=O)CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737091816 599095985 /nfs/dbraw/zinc/09/59/85/599095985.db2.gz GATXPZSZOABODH-QGZVFWFLSA-N -1 3 395.423 0.308 20 0 GCADHM COc1ccc(CNC(=O)CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737091816 599095986 /nfs/dbraw/zinc/09/59/86/599095986.db2.gz GATXPZSZOABODH-QGZVFWFLSA-N -1 3 395.423 0.308 20 0 GCADHM NC(=O)[C@@H](NCC(=O)N1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737732100 599098454 /nfs/dbraw/zinc/09/84/54/599098454.db2.gz VVAJWPKRZXSNHQ-SFHVURJKSA-N -1 3 391.435 0.568 20 0 GCADHM NC(=O)[C@@H](NCC(=O)N1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737732100 599098456 /nfs/dbraw/zinc/09/84/56/599098456.db2.gz VVAJWPKRZXSNHQ-SFHVURJKSA-N -1 3 391.435 0.568 20 0 GCADHM NC(=O)[C@H](NCC(=O)N1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737732098 599098513 /nfs/dbraw/zinc/09/85/13/599098513.db2.gz VVAJWPKRZXSNHQ-GOSISDBHSA-N -1 3 391.435 0.568 20 0 GCADHM NC(=O)[C@H](NCC(=O)N1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737732098 599098516 /nfs/dbraw/zinc/09/85/16/599098516.db2.gz VVAJWPKRZXSNHQ-GOSISDBHSA-N -1 3 391.435 0.568 20 0 GCADHM COC(=O)COc1cccc(CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736930356 599099885 /nfs/dbraw/zinc/09/98/85/599099885.db2.gz CMMNLDRICOCZDE-KRWDZBQOSA-N -1 3 396.407 0.735 20 0 GCADHM COC(=O)COc1cccc(CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736930356 599099886 /nfs/dbraw/zinc/09/98/86/599099886.db2.gz CMMNLDRICOCZDE-KRWDZBQOSA-N -1 3 396.407 0.735 20 0 GCADHM O=C(Cn1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cn1)N1CCOCC1 ZINC000738196035 599103545 /nfs/dbraw/zinc/10/35/45/599103545.db2.gz BFRJOHKTMAEXBR-UHFFFAOYSA-N -1 3 382.384 0.174 20 0 GCADHM O=C(Cn1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cn1)N1CCOCC1 ZINC000738196035 599103547 /nfs/dbraw/zinc/10/35/47/599103547.db2.gz BFRJOHKTMAEXBR-UHFFFAOYSA-N -1 3 382.384 0.174 20 0 GCADHM Cc1oc(NC(=O)CN2CCc3nn(C)c(=O)cc3C2)c(-c2nnn[n-]2)c1C ZINC000822548766 599103896 /nfs/dbraw/zinc/10/38/96/599103896.db2.gz NLAVOTBIPGXDOF-UHFFFAOYSA-N -1 3 384.400 0.167 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000736886632 599108620 /nfs/dbraw/zinc/10/86/20/599108620.db2.gz IGUOBYDMRMSFGJ-UHFFFAOYSA-N -1 3 385.409 0.373 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000736886632 599108622 /nfs/dbraw/zinc/10/86/22/599108622.db2.gz IGUOBYDMRMSFGJ-UHFFFAOYSA-N -1 3 385.409 0.373 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCNC(=O)c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736336 599114494 /nfs/dbraw/zinc/11/44/94/599114494.db2.gz IDIWSHNNWDMSQO-AWEZNQCLSA-N -1 3 384.352 0.349 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCNC(=O)c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736336 599114496 /nfs/dbraw/zinc/11/44/96/599114496.db2.gz IDIWSHNNWDMSQO-AWEZNQCLSA-N -1 3 384.352 0.349 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737734685 599111545 /nfs/dbraw/zinc/11/15/45/599111545.db2.gz AEIFHVCCMRAQDL-OAHLLOKOSA-N -1 3 380.364 0.366 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737734685 599111548 /nfs/dbraw/zinc/11/15/48/599111548.db2.gz AEIFHVCCMRAQDL-OAHLLOKOSA-N -1 3 380.364 0.366 20 0 GCADHM COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736939636 599115176 /nfs/dbraw/zinc/11/51/76/599115176.db2.gz JIUYATJZJSWMJF-AWEZNQCLSA-N -1 3 398.379 0.982 20 0 GCADHM COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736939636 599115177 /nfs/dbraw/zinc/11/51/77/599115177.db2.gz JIUYATJZJSWMJF-AWEZNQCLSA-N -1 3 398.379 0.982 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737735389 599116039 /nfs/dbraw/zinc/11/60/39/599116039.db2.gz CPTPSZQXOSXVIP-QGZVFWFLSA-N -1 3 394.391 0.295 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735389 599116042 /nfs/dbraw/zinc/11/60/42/599116042.db2.gz CPTPSZQXOSXVIP-QGZVFWFLSA-N -1 3 394.391 0.295 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737744163 599117159 /nfs/dbraw/zinc/11/71/59/599117159.db2.gz UXVZFUIUUCIDFK-CQSZACIVSA-N -1 3 391.351 0.226 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737744163 599117163 /nfs/dbraw/zinc/11/71/63/599117163.db2.gz UXVZFUIUUCIDFK-CQSZACIVSA-N -1 3 391.351 0.226 20 0 GCADHM NC(=O)COc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737753020 599117246 /nfs/dbraw/zinc/11/72/46/599117246.db2.gz JNVYGBCKGKMQNL-OAHLLOKOSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)COc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737753020 599117249 /nfs/dbraw/zinc/11/72/49/599117249.db2.gz JNVYGBCKGKMQNL-OAHLLOKOSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)[C@H](OC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738107 599117377 /nfs/dbraw/zinc/11/73/77/599117377.db2.gz DIHMBYKYECFTIM-QGZVFWFLSA-N -1 3 395.375 0.950 20 0 GCADHM NC(=O)[C@H](OC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738107 599117380 /nfs/dbraw/zinc/11/73/80/599117380.db2.gz DIHMBYKYECFTIM-QGZVFWFLSA-N -1 3 395.375 0.950 20 0 GCADHM C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C[C@@H](C)O1 ZINC000820735295 599117829 /nfs/dbraw/zinc/11/78/29/599117829.db2.gz RATSRQICKLPEBV-NXEZZACHSA-N -1 3 383.405 0.415 20 0 GCADHM C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@@H](C)O1 ZINC000820735295 599117832 /nfs/dbraw/zinc/11/78/32/599117832.db2.gz RATSRQICKLPEBV-NXEZZACHSA-N -1 3 383.405 0.415 20 0 GCADHM CC(C)CN1C[C@@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000735831430 599118046 /nfs/dbraw/zinc/11/80/46/599118046.db2.gz RNKLCMURVJVHCN-DZGCQCFKSA-N -1 3 386.412 0.441 20 0 GCADHM CC(C)CN1C[C@@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735831430 599118049 /nfs/dbraw/zinc/11/80/49/599118049.db2.gz RNKLCMURVJVHCN-DZGCQCFKSA-N -1 3 386.412 0.441 20 0 GCADHM CC(C)CS(=O)(=O)CCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735850610 599119312 /nfs/dbraw/zinc/11/93/12/599119312.db2.gz UBZKSLHQRSXIPL-CQSZACIVSA-N -1 3 395.441 0.397 20 0 GCADHM CC(C)CS(=O)(=O)CCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735850610 599119314 /nfs/dbraw/zinc/11/93/14/599119314.db2.gz UBZKSLHQRSXIPL-CQSZACIVSA-N -1 3 395.441 0.397 20 0 GCADHM NC(=O)COc1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737752447 599119397 /nfs/dbraw/zinc/11/93/97/599119397.db2.gz GPLRRPURYLWUOQ-OAHLLOKOSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)COc1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737752447 599119398 /nfs/dbraw/zinc/11/93/98/599119398.db2.gz GPLRRPURYLWUOQ-OAHLLOKOSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)c1ccccc1OCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737761237 599119609 /nfs/dbraw/zinc/11/96/09/599119609.db2.gz RKWOADJSLHWELJ-OAHLLOKOSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)c1ccccc1OCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737761237 599119612 /nfs/dbraw/zinc/11/96/12/599119612.db2.gz RKWOADJSLHWELJ-OAHLLOKOSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)COc1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737752446 599119798 /nfs/dbraw/zinc/11/97/98/599119798.db2.gz GPLRRPURYLWUOQ-HNNXBMFYSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)COc1cccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737752446 599119800 /nfs/dbraw/zinc/11/98/00/599119800.db2.gz GPLRRPURYLWUOQ-HNNXBMFYSA-N -1 3 396.363 0.114 20 0 GCADHM O=C(CS(=O)(=O)C[C@H](O)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823054566 599120005 /nfs/dbraw/zinc/12/00/05/599120005.db2.gz AVXFVTQJNGQJCN-HNNXBMFYSA-N -1 3 387.421 0.954 20 0 GCADHM O=C(CS(=O)(=O)C[C@H](O)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823054566 599120008 /nfs/dbraw/zinc/12/00/08/599120008.db2.gz AVXFVTQJNGQJCN-HNNXBMFYSA-N -1 3 387.421 0.954 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737226 599121199 /nfs/dbraw/zinc/12/11/99/599121199.db2.gz PIJFZZGWACFGCT-LSDHHAIUSA-N -1 3 398.423 0.585 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737226 599121201 /nfs/dbraw/zinc/12/12/01/599121201.db2.gz PIJFZZGWACFGCT-LSDHHAIUSA-N -1 3 398.423 0.585 20 0 GCADHM NC(=O)[C@@H](OC(=O)Cn1c2ccccc2[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738140 599121236 /nfs/dbraw/zinc/12/12/36/599121236.db2.gz DXJPXCLDSPRNDU-HNNXBMFYSA-N -1 3 393.363 0.692 20 0 GCADHM NC(=O)[C@@H](OC(=O)Cn1c2ccccc2[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738140 599121238 /nfs/dbraw/zinc/12/12/38/599121238.db2.gz DXJPXCLDSPRNDU-HNNXBMFYSA-N -1 3 393.363 0.692 20 0 GCADHM NC(=O)[C@H](OC(=O)Cn1c2ccccc2[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738141 599121458 /nfs/dbraw/zinc/12/14/58/599121458.db2.gz DXJPXCLDSPRNDU-OAHLLOKOSA-N -1 3 393.363 0.692 20 0 GCADHM NC(=O)[C@H](OC(=O)Cn1c2ccccc2[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738141 599121460 /nfs/dbraw/zinc/12/14/60/599121460.db2.gz DXJPXCLDSPRNDU-OAHLLOKOSA-N -1 3 393.363 0.692 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739245 599121467 /nfs/dbraw/zinc/12/14/67/599121467.db2.gz JSLFSHKCDOVASC-CYBMUJFWSA-N -1 3 379.336 0.832 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739245 599121471 /nfs/dbraw/zinc/12/14/71/599121471.db2.gz JSLFSHKCDOVASC-CYBMUJFWSA-N -1 3 379.336 0.832 20 0 GCADHM O=c1cc(CS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)nc2ccccn12 ZINC000823665718 599122767 /nfs/dbraw/zinc/12/27/67/599122767.db2.gz STTFTFBMULRSNN-UHFFFAOYSA-N -1 3 386.368 0.988 20 0 GCADHM O=c1cc(CS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)nc2ccccn12 ZINC000823665718 599122768 /nfs/dbraw/zinc/12/27/68/599122768.db2.gz STTFTFBMULRSNN-UHFFFAOYSA-N -1 3 386.368 0.988 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)CCS(C)(=O)=O ZINC000736626863 599123518 /nfs/dbraw/zinc/12/35/18/599123518.db2.gz MCIOFQAYQIJLHT-UHFFFAOYSA-N -1 3 376.416 0.019 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)CCS(C)(=O)=O ZINC000736626863 599123520 /nfs/dbraw/zinc/12/35/20/599123520.db2.gz MCIOFQAYQIJLHT-UHFFFAOYSA-N -1 3 376.416 0.019 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCn1cc(Cl)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739331 599123935 /nfs/dbraw/zinc/12/39/35/599123935.db2.gz YGCGLDRRSCBSEH-ZDUSSCGKSA-N -1 3 375.776 0.877 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCn1cc(Cl)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739331 599123936 /nfs/dbraw/zinc/12/39/36/599123936.db2.gz YGCGLDRRSCBSEH-ZDUSSCGKSA-N -1 3 375.776 0.877 20 0 GCADHM NC(=O)c1ccc(OCC(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737761885 599123953 /nfs/dbraw/zinc/12/39/53/599123953.db2.gz UZJDGFMZXKVRFS-OAHLLOKOSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)c1ccc(OCC(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737761885 599123956 /nfs/dbraw/zinc/12/39/56/599123956.db2.gz UZJDGFMZXKVRFS-OAHLLOKOSA-N -1 3 396.363 0.114 20 0 GCADHM C[C@H](OC[C@@H]1CCCO1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736164905 599124762 /nfs/dbraw/zinc/12/47/62/599124762.db2.gz QVKNFZLLGAVORL-LEWSCRJBSA-N -1 3 375.385 0.520 20 0 GCADHM C[C@H](OC[C@@H]1CCCO1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736164905 599124763 /nfs/dbraw/zinc/12/47/63/599124763.db2.gz QVKNFZLLGAVORL-LEWSCRJBSA-N -1 3 375.385 0.520 20 0 GCADHM CCOC(=O)C[C@H](C)S(=O)(=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736595747 599148077 /nfs/dbraw/zinc/14/80/77/599148077.db2.gz XIXWOGOAXGIBCK-JTQLQIEISA-N -1 3 381.414 0.562 20 0 GCADHM CCOC(=O)C[C@H](C)S(=O)(=O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736595747 599148078 /nfs/dbraw/zinc/14/80/78/599148078.db2.gz XIXWOGOAXGIBCK-JTQLQIEISA-N -1 3 381.414 0.562 20 0 GCADHM COCCN(C[C@@H]1CCCOC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821689042 607259186 /nfs/dbraw/zinc/25/91/86/607259186.db2.gz IRTOUPYYZTVRND-ZDUSSCGKSA-N -1 3 381.458 0.930 20 0 GCADHM COCCN(C[C@@H]1CCCOC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821689042 607259187 /nfs/dbraw/zinc/25/91/87/607259187.db2.gz IRTOUPYYZTVRND-ZDUSSCGKSA-N -1 3 381.458 0.930 20 0 GCADHM 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CC(C)[C@]1(C)CC(=O)N(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC000735747015 599203174 /nfs/dbraw/zinc/20/31/74/599203174.db2.gz OOKITTXJYUKMSW-IBGZPJMESA-N -1 3 398.471 0.762 20 0 GCADHM CC(C)[C@]1(C)CC(=O)N(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC000735747015 599203176 /nfs/dbraw/zinc/20/31/76/599203176.db2.gz OOKITTXJYUKMSW-IBGZPJMESA-N -1 3 398.471 0.762 20 0 GCADHM COCCN(C(=O)c1nc2nccc(C)n2n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987306 599203299 /nfs/dbraw/zinc/20/32/99/599203299.db2.gz ALINCXCXEHNKGH-UHFFFAOYSA-N -1 3 379.384 0.906 20 0 GCADHM COCCN(C(=O)c1nc2nccc(C)n2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987306 599203302 /nfs/dbraw/zinc/20/33/02/599203302.db2.gz ALINCXCXEHNKGH-UHFFFAOYSA-N -1 3 379.384 0.906 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820655438 599208158 /nfs/dbraw/zinc/20/81/58/599208158.db2.gz BAJDNKWLRNOGCH-ASWLPBJDSA-N -1 3 392.423 0.924 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820655438 599208161 /nfs/dbraw/zinc/20/81/61/599208161.db2.gz BAJDNKWLRNOGCH-ASWLPBJDSA-N -1 3 392.423 0.924 20 0 GCADHM C[C@H]1C[C@H](NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657449 599208269 /nfs/dbraw/zinc/20/82/69/599208269.db2.gz LFDOHLWBGYSTHT-LRDDRELGSA-N -1 3 394.439 0.843 20 0 GCADHM C[C@H]1C[C@H](NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657449 599208271 /nfs/dbraw/zinc/20/82/71/599208271.db2.gz LFDOHLWBGYSTHT-LRDDRELGSA-N -1 3 394.439 0.843 20 0 GCADHM C[C@H]1C[C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657687 599208276 /nfs/dbraw/zinc/20/82/76/599208276.db2.gz MFHQRSNVCMOGGM-NHYWBVRUSA-N -1 3 380.412 0.453 20 0 GCADHM C[C@H]1C[C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657687 599208279 /nfs/dbraw/zinc/20/82/79/599208279.db2.gz MFHQRSNVCMOGGM-NHYWBVRUSA-N -1 3 380.412 0.453 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737165105 599208637 /nfs/dbraw/zinc/20/86/37/599208637.db2.gz 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C[C@H]1C[C@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820656827 599211567 /nfs/dbraw/zinc/21/15/67/599211567.db2.gz HNGJJZVSGIQJKI-NHYWBVRUSA-N -1 3 396.411 0.289 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735643276 599211785 /nfs/dbraw/zinc/21/17/85/599211785.db2.gz MBCDKRSZJDFSIV-SANMLTNESA-N -1 3 380.478 0.520 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735643276 599211788 /nfs/dbraw/zinc/21/17/88/599211788.db2.gz MBCDKRSZJDFSIV-SANMLTNESA-N -1 3 380.478 0.520 20 0 GCADHM C[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112965 599211827 /nfs/dbraw/zinc/21/18/27/599211827.db2.gz LJMYVZOZESELHP-GXFFZTMASA-N -1 3 379.446 0.261 20 0 GCADHM C[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112965 599211829 /nfs/dbraw/zinc/21/18/29/599211829.db2.gz LJMYVZOZESELHP-GXFFZTMASA-N -1 3 379.446 0.261 20 0 GCADHM C[C@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112964 599212057 /nfs/dbraw/zinc/21/20/57/599212057.db2.gz LJMYVZOZESELHP-GWCFXTLKSA-N -1 3 379.446 0.261 20 0 GCADHM C[C@H](NC(=O)N1CC[C@H](NS(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112964 599212058 /nfs/dbraw/zinc/21/20/58/599212058.db2.gz LJMYVZOZESELHP-GWCFXTLKSA-N -1 3 379.446 0.261 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000735661645 599212158 /nfs/dbraw/zinc/21/21/58/599212158.db2.gz WFRXOYAWJDGAMP-NSHDSACASA-N -1 3 396.477 0.579 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000735661645 599212159 /nfs/dbraw/zinc/21/21/59/599212159.db2.gz WFRXOYAWJDGAMP-NSHDSACASA-N -1 3 396.477 0.579 20 0 GCADHM C[S@@](=O)CCNC(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737172924 599212854 /nfs/dbraw/zinc/21/28/54/599212854.db2.gz LVSSQRFBPZEWSC-HHHXNRCGSA-N -1 3 391.501 0.463 20 0 GCADHM C[C@]12CCC(=O)N1[C@H](C(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)CS2 ZINC000736228135 599213758 /nfs/dbraw/zinc/21/37/58/599213758.db2.gz 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Cc1cc(N2CCC[C@@H](NC(=O)c3sccc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207375 599215933 /nfs/dbraw/zinc/21/59/33/599215933.db2.gz UILHNCABMRLUTP-LLVKDONJSA-N -1 3 386.441 0.896 20 0 GCADHM COC(=O)CN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000821661646 599216045 /nfs/dbraw/zinc/21/60/45/599216045.db2.gz RUOHVSWMDKYDNF-GFCCVEGCSA-N -1 3 389.412 0.815 20 0 GCADHM COC(=O)CN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000821661646 599216048 /nfs/dbraw/zinc/21/60/48/599216048.db2.gz RUOHVSWMDKYDNF-GFCCVEGCSA-N -1 3 389.412 0.815 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822207321 599216116 /nfs/dbraw/zinc/21/61/16/599216116.db2.gz RRPZFOWKEYSVRO-AWEZNQCLSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822207321 599216118 /nfs/dbraw/zinc/21/61/18/599216118.db2.gz RRPZFOWKEYSVRO-AWEZNQCLSA-N -1 3 380.412 0.834 20 0 GCADHM COC(=O)CN(C(=O)COc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000821661374 599216300 /nfs/dbraw/zinc/21/63/00/599216300.db2.gz GGYZCGMFJKZTKY-UHFFFAOYSA-N -1 3 375.385 0.426 20 0 GCADHM COC(=O)CN(C(=O)COc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000821661374 599216301 /nfs/dbraw/zinc/21/63/01/599216301.db2.gz GGYZCGMFJKZTKY-UHFFFAOYSA-N -1 3 375.385 0.426 20 0 GCADHM O=C(NCC[S@@](=O)Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738085415 599218955 /nfs/dbraw/zinc/21/89/55/599218955.db2.gz IREZHHUFKJRISF-MUUNZHRXSA-N -1 3 398.448 0.870 20 0 GCADHM O=C(NCC[S@@](=O)Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738085415 599218956 /nfs/dbraw/zinc/21/89/56/599218956.db2.gz IREZHHUFKJRISF-MUUNZHRXSA-N -1 3 398.448 0.870 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736633535 599219314 /nfs/dbraw/zinc/21/93/14/599219314.db2.gz CLEYFONCHNHZSG-NSHDSACASA-N -1 3 395.445 0.421 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736633535 599219318 /nfs/dbraw/zinc/21/93/18/599219318.db2.gz CLEYFONCHNHZSG-NSHDSACASA-N -1 3 395.445 0.421 20 0 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/nfs/dbraw/zinc/22/96/64/599229664.db2.gz JUFSZESYOWGSML-CQSZACIVSA-N -1 3 399.415 0.246 20 0 GCADHM CNC(=O)Cn1cnc(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)n1 ZINC000736878881 599229667 /nfs/dbraw/zinc/22/96/67/599229667.db2.gz JUFSZESYOWGSML-CQSZACIVSA-N -1 3 399.415 0.246 20 0 GCADHM Cc1noc(CCC(=O)O[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n1 ZINC000822527951 607261366 /nfs/dbraw/zinc/26/13/66/607261366.db2.gz LQFMATUDUIBRQL-SNVBAGLBSA-N -1 3 389.397 0.901 20 0 GCADHM Cc1noc(CCC(=O)O[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n1 ZINC000822527951 607261367 /nfs/dbraw/zinc/26/13/67/607261367.db2.gz LQFMATUDUIBRQL-SNVBAGLBSA-N -1 3 389.397 0.901 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)O[C@H]1Cc2ccccc2C1=O ZINC000823005441 607262034 /nfs/dbraw/zinc/26/20/34/607262034.db2.gz RAOTWWYEYXUMGH-HNNXBMFYSA-N -1 3 377.360 0.947 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)O[C@H]1Cc2ccccc2C1=O ZINC000823005441 607262035 /nfs/dbraw/zinc/26/20/35/607262035.db2.gz RAOTWWYEYXUMGH-HNNXBMFYSA-N -1 3 377.360 0.947 20 0 GCADHM CN1CCN(CCCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000739739121 596959465 /nfs/dbraw/zinc/95/94/65/596959465.db2.gz YTCTUEXJQHBZOZ-GOSISDBHSA-N -1 3 387.484 0.850 20 0 GCADHM CN1CCO[C@@H]2CN([C@@H]3CCN(c4sccc4-c4nnn[n-]4)C3=O)C[C@@H]21 ZINC000821628120 607265285 /nfs/dbraw/zinc/26/52/85/607265285.db2.gz AIZKILDEIHPEKC-FRRDWIJNSA-N -1 3 375.458 0.048 20 0 GCADHM CN1CCO[C@@H]2CN([C@@H]3CCN(c4sccc4-c4nn[n-]n4)C3=O)C[C@@H]21 ZINC000821628120 607265286 /nfs/dbraw/zinc/26/52/86/607265286.db2.gz AIZKILDEIHPEKC-FRRDWIJNSA-N -1 3 375.458 0.048 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000737610990 599234522 /nfs/dbraw/zinc/23/45/22/599234522.db2.gz CNWAQZMPARNEKE-AWEZNQCLSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1ccc(N2CCC[C@H](NC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000737610990 599234524 /nfs/dbraw/zinc/23/45/24/599234524.db2.gz CNWAQZMPARNEKE-AWEZNQCLSA-N -1 3 396.411 0.291 20 0 GCADHM C[C@@H](C(=O)N(CCN(C)C)CC(=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000237508539 597003144 /nfs/dbraw/zinc/00/31/44/597003144.db2.gz ZCTXJPWOPSYLCF-HNNXBMFYSA-N -1 3 380.464 0.811 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)N1CCc2ncccc21 ZINC000823055588 607265632 /nfs/dbraw/zinc/26/56/32/607265632.db2.gz RNEGAELKNOAMPE-UHFFFAOYSA-N -1 3 384.421 0.766 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)N1CCc2ncccc21 ZINC000823055588 607265633 /nfs/dbraw/zinc/26/56/33/607265633.db2.gz RNEGAELKNOAMPE-UHFFFAOYSA-N -1 3 384.421 0.766 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCN1CCOC ZINC000736406881 599236865 /nfs/dbraw/zinc/23/68/65/599236865.db2.gz MLRKQSQEVFHTRN-MRXNPFEDSA-N -1 3 394.501 0.739 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCN1CCOC ZINC000736406881 599236869 /nfs/dbraw/zinc/23/68/69/599236869.db2.gz MLRKQSQEVFHTRN-MRXNPFEDSA-N -1 3 394.501 0.739 20 0 GCADHM CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@H](CC(=O)[O-])C2)CC1 ZINC000676232860 597069593 /nfs/dbraw/zinc/06/95/93/597069593.db2.gz IPMXGSPEUZFQCH-OAHLLOKOSA-N 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COCCNC(=O)Cn1cc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000821691515 599241317 /nfs/dbraw/zinc/24/13/17/599241317.db2.gz XDHRKPYDEKRYFU-UHFFFAOYSA-N -1 3 385.388 0.470 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821691515 599241319 /nfs/dbraw/zinc/24/13/19/599241319.db2.gz XDHRKPYDEKRYFU-UHFFFAOYSA-N -1 3 385.388 0.470 20 0 GCADHM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736226118 599242736 /nfs/dbraw/zinc/24/27/36/599242736.db2.gz VJIRHVZINMJZJO-MRVPVSSYSA-N -1 3 377.792 0.196 20 0 GCADHM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736226118 599242739 /nfs/dbraw/zinc/24/27/39/599242739.db2.gz VJIRHVZINMJZJO-MRVPVSSYSA-N -1 3 377.792 0.196 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCNC(=O)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000822052307 607272223 /nfs/dbraw/zinc/27/22/23/607272223.db2.gz BNLMNIXCFZCWSW-UHFFFAOYSA-N -1 3 393.407 0.660 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCNC(=O)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000822052307 607272224 /nfs/dbraw/zinc/27/22/24/607272224.db2.gz BNLMNIXCFZCWSW-UHFFFAOYSA-N -1 3 393.407 0.660 20 0 GCADHM Cc1c(NC(=O)C(=O)NC2CCN(C(=O)C(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000822052840 607272317 /nfs/dbraw/zinc/27/23/17/607272317.db2.gz GVNZBNTXOSRHJO-UHFFFAOYSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)NC2CCN(C(=O)C(C)C)CC2)cccc1-c1nn[n-]n1 ZINC000822052840 607272318 /nfs/dbraw/zinc/27/23/18/607272318.db2.gz GVNZBNTXOSRHJO-UHFFFAOYSA-N -1 3 399.455 0.877 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000738091091 599244292 /nfs/dbraw/zinc/24/42/92/599244292.db2.gz ZFXGBCOYHWDPFT-NWDGAFQWSA-N -1 3 398.345 0.819 20 0 GCADHM Cc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000822242266 607275596 /nfs/dbraw/zinc/27/55/96/607275596.db2.gz GGFHSIROVOTYCN-UHFFFAOYSA-N -1 3 392.423 0.857 20 0 GCADHM Cc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000822242266 607275597 /nfs/dbraw/zinc/27/55/97/607275597.db2.gz GGFHSIROVOTYCN-UHFFFAOYSA-N -1 3 392.423 0.857 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000738091095 599244342 /nfs/dbraw/zinc/24/43/42/599244342.db2.gz ZFXGBCOYHWDPFT-VXGBXAGGSA-N -1 3 398.345 0.819 20 0 GCADHM COC(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)o1 ZINC000821668873 607275901 /nfs/dbraw/zinc/27/59/01/607275901.db2.gz NGEOGQMQSMGWCS-UHFFFAOYSA-N -1 3 384.352 0.810 20 0 GCADHM COC(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)o1 ZINC000821668873 607275902 /nfs/dbraw/zinc/27/59/02/607275902.db2.gz NGEOGQMQSMGWCS-UHFFFAOYSA-N -1 3 384.352 0.810 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CNS(=O)(=O)CCCOC ZINC000821407369 607276034 /nfs/dbraw/zinc/27/60/34/607276034.db2.gz RHLRUGOCTADYHY-UHFFFAOYSA-N -1 3 398.445 0.160 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)cccc1-c1nnn[n-]1 ZINC000822045822 607278583 /nfs/dbraw/zinc/27/85/83/607278583.db2.gz USWQAIUAWGTYAP-UHFFFAOYSA-N -1 3 398.427 0.130 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)cccc1-c1nn[n-]n1 ZINC000822045822 607278584 /nfs/dbraw/zinc/27/85/84/607278584.db2.gz USWQAIUAWGTYAP-UHFFFAOYSA-N -1 3 398.427 0.130 20 0 GCADHM Cc1cc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c2c(=O)[nH]n(C)c2n1 ZINC000737236104 599245013 /nfs/dbraw/zinc/24/50/13/599245013.db2.gz ARARNHCGTXEDFM-UHFFFAOYSA-N -1 3 394.395 0.971 20 0 GCADHM Cc1ccn2c(c1)ncc(C(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000737437803 599245154 /nfs/dbraw/zinc/24/51/54/599245154.db2.gz XVZHVUJFJGVGMI-UHFFFAOYSA-N -1 3 391.391 0.992 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821691811 607277350 /nfs/dbraw/zinc/27/73/50/607277350.db2.gz FSFVYJVSMSLPDR-CYBMUJFWSA-N -1 3 388.428 0.625 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821691811 607277351 /nfs/dbraw/zinc/27/73/51/607277351.db2.gz FSFVYJVSMSLPDR-CYBMUJFWSA-N -1 3 388.428 0.625 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cccc1-c1nnn[n-]1 ZINC000822043132 607277410 /nfs/dbraw/zinc/27/74/10/607277410.db2.gz BHORKTJQOBWWMA-ZDUSSCGKSA-N -1 3 385.428 0.047 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)cccc1-c1nn[n-]n1 ZINC000822043132 607277411 /nfs/dbraw/zinc/27/74/11/607277411.db2.gz BHORKTJQOBWWMA-ZDUSSCGKSA-N -1 3 385.428 0.047 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](CO)Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822044648 607278344 /nfs/dbraw/zinc/27/83/44/607278344.db2.gz LOAHIEQXXNIDNM-CQSZACIVSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](CO)Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822044648 607278345 /nfs/dbraw/zinc/27/83/45/607278345.db2.gz LOAHIEQXXNIDNM-CQSZACIVSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cccc1-c1nnn[n-]1 ZINC000822052155 607278489 /nfs/dbraw/zinc/27/84/89/607278489.db2.gz AAAUZTOWHRWWPK-CVEARBPZSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)cccc1-c1nn[n-]n1 ZINC000822052155 607278490 /nfs/dbraw/zinc/27/84/90/607278490.db2.gz AAAUZTOWHRWWPK-CVEARBPZSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1c(NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cccc1-c1nnn[n-]1 ZINC000822061673 607278502 /nfs/dbraw/zinc/27/85/02/607278502.db2.gz UOCCVZHHISEEIW-UHFFFAOYSA-N -1 3 397.399 0.037 20 0 GCADHM Cc1c(NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)cccc1-c1nn[n-]n1 ZINC000822061673 607278503 /nfs/dbraw/zinc/27/85/03/607278503.db2.gz UOCCVZHHISEEIW-UHFFFAOYSA-N -1 3 397.399 0.037 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)cccc1-c1nnn[n-]1 ZINC000822061807 607273087 /nfs/dbraw/zinc/27/30/87/607273087.db2.gz YIWPXYUSNMOQAE-UHFFFAOYSA-N -1 3 379.380 0.529 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2cccc(C(N)=O)c2)cccc1-c1nn[n-]n1 ZINC000822061807 607273088 /nfs/dbraw/zinc/27/30/88/607273088.db2.gz YIWPXYUSNMOQAE-UHFFFAOYSA-N -1 3 379.380 0.529 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)cccc1-c1nnn[n-]1 ZINC000822059684 607273282 /nfs/dbraw/zinc/27/32/82/607273282.db2.gz DXBFOSSMCPMODH-UHFFFAOYSA-N -1 3 379.380 0.529 20 0 GCADHM Cc1c(NC(=O)C(=O)NCc2ccc(C(N)=O)cc2)cccc1-c1nn[n-]n1 ZINC000822059684 607273283 /nfs/dbraw/zinc/27/32/83/607273283.db2.gz DXBFOSSMCPMODH-UHFFFAOYSA-N -1 3 379.380 0.529 20 0 GCADHM C[C@@H](O)CN1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC000736149605 599246891 /nfs/dbraw/zinc/24/68/91/599246891.db2.gz UOFBZOSMEMKCHR-CHWSQXEVSA-N -1 3 376.486 0.872 20 0 GCADHM Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000822242623 607274160 /nfs/dbraw/zinc/27/41/60/607274160.db2.gz RMRFEUBQRSGQDM-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000822242623 607274161 /nfs/dbraw/zinc/27/41/61/607274161.db2.gz RMRFEUBQRSGQDM-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCNC(=O)c2cccs2)cccc1-c1nnn[n-]1 ZINC000822052604 607274277 /nfs/dbraw/zinc/27/42/77/607274277.db2.gz DWOYNZCMYFMTKD-UHFFFAOYSA-N -1 3 399.436 0.721 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCNC(=O)c2cccs2)cccc1-c1nn[n-]n1 ZINC000822052604 607274278 /nfs/dbraw/zinc/27/42/78/607274278.db2.gz DWOYNZCMYFMTKD-UHFFFAOYSA-N -1 3 399.436 0.721 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000821664892 607275041 /nfs/dbraw/zinc/27/50/41/607275041.db2.gz MWMHHFGREKYKJA-NSHDSACASA-N -1 3 387.400 0.461 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000821664892 607275042 /nfs/dbraw/zinc/27/50/42/607275042.db2.gz MWMHHFGREKYKJA-NSHDSACASA-N -1 3 387.400 0.461 20 0 GCADHM COCCOCCCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821692413 607275099 /nfs/dbraw/zinc/27/50/99/607275099.db2.gz XEOQKXAKVOKOMZ-UHFFFAOYSA-N -1 3 376.417 0.673 20 0 GCADHM COCCOCCCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821692413 607275100 /nfs/dbraw/zinc/27/51/00/607275100.db2.gz XEOQKXAKVOKOMZ-UHFFFAOYSA-N -1 3 376.417 0.673 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)cccc1-c1nnn[n-]1 ZINC000822044087 607275290 /nfs/dbraw/zinc/27/52/90/607275290.db2.gz HUWJNCMCAXLSGB-CYBMUJFWSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)cccc1-c1nn[n-]n1 ZINC000822044087 607275291 /nfs/dbraw/zinc/27/52/91/607275291.db2.gz HUWJNCMCAXLSGB-CYBMUJFWSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)cccc1-c1nnn[n-]1 ZINC000822044627 607275329 /nfs/dbraw/zinc/27/53/29/607275329.db2.gz LNRLONVJGSBVGR-UHFFFAOYSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(N3CCCC3=O)CC2)cccc1-c1nn[n-]n1 ZINC000822044627 607275330 /nfs/dbraw/zinc/27/53/30/607275330.db2.gz LNRLONVJGSBVGR-UHFFFAOYSA-N -1 3 397.439 0.727 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821508904 607278848 /nfs/dbraw/zinc/27/88/48/607278848.db2.gz CFTQADMFCUBSLS-ZDUSSCGKSA-N -1 3 395.427 0.919 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821508904 607278849 /nfs/dbraw/zinc/27/88/49/607278849.db2.gz CFTQADMFCUBSLS-ZDUSSCGKSA-N -1 3 395.427 0.919 20 0 GCADHM CNC(=O)COc1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1OC ZINC000736873762 599250852 /nfs/dbraw/zinc/25/08/52/599250852.db2.gz LKJCSVBEDYYRCM-UHFFFAOYSA-N -1 3 383.368 0.069 20 0 GCADHM CNC(=O)COc1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1OC ZINC000736873762 599250855 /nfs/dbraw/zinc/25/08/55/599250855.db2.gz LKJCSVBEDYYRCM-UHFFFAOYSA-N -1 3 383.368 0.069 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)CCS(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000822045416 607279876 /nfs/dbraw/zinc/27/98/76/607279876.db2.gz QQUWPMFWWJFIQM-SECBINFHSA-N -1 3 380.430 0.053 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)CCS(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000822045416 607279877 /nfs/dbraw/zinc/27/98/77/607279877.db2.gz QQUWPMFWWJFIQM-SECBINFHSA-N -1 3 380.430 0.053 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)CCS(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000822045417 607279928 /nfs/dbraw/zinc/27/99/28/607279928.db2.gz QQUWPMFWWJFIQM-VIFPVBQESA-N -1 3 380.430 0.053 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H](C)CCS(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000822045417 607279929 /nfs/dbraw/zinc/27/99/29/607279929.db2.gz QQUWPMFWWJFIQM-VIFPVBQESA-N -1 3 380.430 0.053 20 0 GCADHM Cc1c(NC(=O)N[C@H]2CCN(S(C)(=O)=O)C[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822091863 607282456 /nfs/dbraw/zinc/28/24/56/607282456.db2.gz UETYQLRTZZFXEO-MFKMUULPSA-N -1 3 393.473 0.967 20 0 GCADHM Cc1c(NC(=O)N[C@H]2CCN(S(C)(=O)=O)C[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822091863 607282457 /nfs/dbraw/zinc/28/24/57/607282457.db2.gz UETYQLRTZZFXEO-MFKMUULPSA-N -1 3 393.473 0.967 20 0 GCADHM COc1ccccc1N1C[C@@H](C(=O)Nc2ccncc2-c2nnn[n-]2)CC1=O ZINC000737152337 599254026 /nfs/dbraw/zinc/25/40/26/599254026.db2.gz KMDVZAYTAAYZJD-NSHDSACASA-N -1 3 379.380 0.684 20 0 GCADHM COc1ccccc1N1C[C@@H](C(=O)Nc2ccncc2-c2nn[n-]n2)CC1=O ZINC000737152337 599254028 /nfs/dbraw/zinc/25/40/28/599254028.db2.gz KMDVZAYTAAYZJD-NSHDSACASA-N -1 3 379.380 0.684 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NC[C@]1(O)CCSC1 ZINC000822955168 607302606 /nfs/dbraw/zinc/30/26/06/607302606.db2.gz KTXMJFGDBKLKLF-QGZVFWFLSA-N -1 3 390.469 0.960 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NC[C@]1(O)CCSC1 ZINC000822955168 607302607 /nfs/dbraw/zinc/30/26/07/607302607.db2.gz KTXMJFGDBKLKLF-QGZVFWFLSA-N -1 3 390.469 0.960 20 0 GCADHM Cc1c(NC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cccc1-c1nnn[n-]1 ZINC000822096425 607291744 /nfs/dbraw/zinc/29/17/44/607291744.db2.gz MNVFMGROXNAGJH-QGHHPUGFSA-N -1 3 384.400 0.675 20 0 GCADHM Cc1c(NC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cccc1-c1nn[n-]n1 ZINC000822096425 607291745 /nfs/dbraw/zinc/29/17/45/607291745.db2.gz MNVFMGROXNAGJH-QGHHPUGFSA-N -1 3 384.400 0.675 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCc2ncccc21 ZINC000820446652 607293597 /nfs/dbraw/zinc/29/35/97/607293597.db2.gz WMKHHFWJATYJLC-LLVKDONJSA-N -1 3 399.436 0.518 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCc2ncccc21 ZINC000820446652 607293598 /nfs/dbraw/zinc/29/35/98/607293598.db2.gz WMKHHFWJATYJLC-LLVKDONJSA-N -1 3 399.436 0.518 20 0 GCADHM Cc1c(NC(=O)CSCC(=O)N2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822077839 607297518 /nfs/dbraw/zinc/29/75/18/607297518.db2.gz ZFADHHUBWVHLGQ-UHFFFAOYSA-N -1 3 376.442 0.706 20 0 GCADHM Cc1c(NC(=O)CSCC(=O)N2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822077839 607297519 /nfs/dbraw/zinc/29/75/19/607297519.db2.gz ZFADHHUBWVHLGQ-UHFFFAOYSA-N -1 3 376.442 0.706 20 0 GCADHM CC(C)CN(CC(N)=O)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820087281 607298872 /nfs/dbraw/zinc/29/88/72/607298872.db2.gz OTUWYTVXFDVOSD-UHFFFAOYSA-N -1 3 387.444 0.945 20 0 GCADHM CC(C)CN(CC(N)=O)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820087281 607298873 /nfs/dbraw/zinc/29/88/73/607298873.db2.gz OTUWYTVXFDVOSD-UHFFFAOYSA-N -1 3 387.444 0.945 20 0 GCADHM NS(=O)(=O)c1ccc(NCCc2ccc3c(c2)OCO3)c(-c2nnn[n-]2)c1 ZINC000737769958 599260591 /nfs/dbraw/zinc/26/05/91/599260591.db2.gz RSORGROEDCSCCV-UHFFFAOYSA-N -1 3 388.409 0.897 20 0 GCADHM NS(=O)(=O)c1ccc(NCCc2ccc3c(c2)OCO3)c(-c2nn[n-]n2)c1 ZINC000737769958 599260593 /nfs/dbraw/zinc/26/05/93/599260593.db2.gz RSORGROEDCSCCV-UHFFFAOYSA-N -1 3 388.409 0.897 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820307091 607299591 /nfs/dbraw/zinc/29/95/91/607299591.db2.gz IEKOHOFAQIOFIM-LBPRGKRZSA-N -1 3 383.416 0.772 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820307091 607299592 /nfs/dbraw/zinc/29/95/92/607299592.db2.gz IEKOHOFAQIOFIM-LBPRGKRZSA-N -1 3 383.416 0.772 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820037329 607300232 /nfs/dbraw/zinc/30/02/32/607300232.db2.gz CKQDDYKRBNVPJQ-KRWDZBQOSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820037329 607300233 /nfs/dbraw/zinc/30/02/33/607300233.db2.gz CKQDDYKRBNVPJQ-KRWDZBQOSA-N -1 3 399.455 0.959 20 0 GCADHM CS(=O)(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000737168347 599262731 /nfs/dbraw/zinc/26/27/31/599262731.db2.gz ZOPKNAJFCFCDDX-UHFFFAOYSA-N -1 3 395.395 0.775 20 0 GCADHM CS(=O)(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000737168347 599262732 /nfs/dbraw/zinc/26/27/32/599262732.db2.gz ZOPKNAJFCFCDDX-UHFFFAOYSA-N -1 3 395.395 0.775 20 0 GCADHM CS(=O)(=O)Nc1cccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821937631 607311390 /nfs/dbraw/zinc/31/13/90/607311390.db2.gz ONXJHKIWXMZGPH-JTQLQIEISA-N -1 3 389.445 0.589 20 0 GCADHM CS(=O)(=O)Nc1cccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821937631 607311391 /nfs/dbraw/zinc/31/13/91/607311391.db2.gz ONXJHKIWXMZGPH-JTQLQIEISA-N -1 3 389.445 0.589 20 0 GCADHM Cc1cc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)ccc1-n1cnnn1 ZINC000822209409 607312727 /nfs/dbraw/zinc/31/27/27/607312727.db2.gz HRSNJCBLSQZPNJ-NSHDSACASA-N -1 3 378.404 0.501 20 0 GCADHM Cc1cc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)ccc1-n1cnnn1 ZINC000822209409 607312728 /nfs/dbraw/zinc/31/27/28/607312728.db2.gz HRSNJCBLSQZPNJ-NSHDSACASA-N -1 3 378.404 0.501 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)C(=O)[O-] ZINC000818019120 597516332 /nfs/dbraw/zinc/51/63/32/597516332.db2.gz XWSNTNJXIBYDIQ-SWLSCSKDSA-N -1 3 390.440 0.381 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3cc(-c4nnn[n-]4)c4ccccc4n3)CC2)C1 ZINC000823612889 607304227 /nfs/dbraw/zinc/30/42/27/607304227.db2.gz FTIUBCJAHWNNAX-ZDUSSCGKSA-N -1 3 399.480 0.724 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3cc(-c4nn[n-]n4)c4ccccc4n3)CC2)C1 ZINC000823612889 607304228 /nfs/dbraw/zinc/30/42/28/607304228.db2.gz FTIUBCJAHWNNAX-ZDUSSCGKSA-N -1 3 399.480 0.724 20 0 GCADHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819899141 607316501 /nfs/dbraw/zinc/31/65/01/607316501.db2.gz NZERMUNLVFDZGU-LBPRGKRZSA-N -1 3 384.437 0.586 20 0 GCADHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819899141 607316502 /nfs/dbraw/zinc/31/65/02/607316502.db2.gz NZERMUNLVFDZGU-LBPRGKRZSA-N -1 3 384.437 0.586 20 0 GCADHM COCCNS(=O)(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC000737006329 599268665 /nfs/dbraw/zinc/26/86/65/599268665.db2.gz JXBKLGHHRIDFSF-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM COCCNS(=O)(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC000737006329 599268666 /nfs/dbraw/zinc/26/86/66/599268666.db2.gz JXBKLGHHRIDFSF-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821636684 599272007 /nfs/dbraw/zinc/27/20/07/599272007.db2.gz YTCGJTQKNGWJAL-LBPRGKRZSA-N -1 3 379.446 0.721 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821636684 599272009 /nfs/dbraw/zinc/27/20/09/599272009.db2.gz YTCGJTQKNGWJAL-LBPRGKRZSA-N -1 3 379.446 0.721 20 0 GCADHM COC[C@@H](C)S(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736968812 599273890 /nfs/dbraw/zinc/27/38/90/599273890.db2.gz JKNMSVYUMVPHHN-LLVKDONJSA-N -1 3 381.462 0.185 20 0 GCADHM COC[C@@H](C)S(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736968812 599273893 /nfs/dbraw/zinc/27/38/93/599273893.db2.gz JKNMSVYUMVPHHN-LLVKDONJSA-N -1 3 381.462 0.185 20 0 GCADHM COc1cccc(CS(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737133010 599274255 /nfs/dbraw/zinc/27/42/55/599274255.db2.gz VBFZGGZCXBUIDB-UHFFFAOYSA-N -1 3 389.441 0.802 20 0 GCADHM COc1cccc(CS(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737133010 599274258 /nfs/dbraw/zinc/27/42/58/599274258.db2.gz VBFZGGZCXBUIDB-UHFFFAOYSA-N -1 3 389.441 0.802 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCSC[C@@H]1S(C)(=O)=O ZINC000736171183 599274303 /nfs/dbraw/zinc/27/43/03/599274303.db2.gz ULSRMLMJNYQIEN-GWCFXTLKSA-N -1 3 397.482 0.580 20 0 GCADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737163428 599275893 /nfs/dbraw/zinc/27/58/93/599275893.db2.gz XBEIOEPDYQAXOJ-ZDUSSCGKSA-N -1 3 399.523 0.905 20 0 GCADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737163428 599275895 /nfs/dbraw/zinc/27/58/95/599275895.db2.gz XBEIOEPDYQAXOJ-ZDUSSCGKSA-N -1 3 399.523 0.905 20 0 GCADHM Cc1cc(F)cc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000822203045 607319438 /nfs/dbraw/zinc/31/94/38/607319438.db2.gz BBRYHMPXOVLDFX-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM Cc1cc(F)cc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000822203045 607319439 /nfs/dbraw/zinc/31/94/39/607319439.db2.gz BBRYHMPXOVLDFX-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@@H](Cn2cncn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113534 599277484 /nfs/dbraw/zinc/27/74/84/599277484.db2.gz PFZCYZAYWHFHMF-SWLSCSKDSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@@H](Cn2cncn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113534 599277486 /nfs/dbraw/zinc/27/74/86/599277486.db2.gz PFZCYZAYWHFHMF-SWLSCSKDSA-N -1 3 383.416 0.630 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000735475483 599277641 /nfs/dbraw/zinc/27/76/41/599277641.db2.gz VXDZGUQIGZYDAL-LLVKDONJSA-N -1 3 379.808 0.889 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000735475483 599277643 /nfs/dbraw/zinc/27/76/43/599277643.db2.gz VXDZGUQIGZYDAL-LLVKDONJSA-N -1 3 379.808 0.889 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000736633486 599277733 /nfs/dbraw/zinc/27/77/33/599277733.db2.gz BSVGBUZGOIBCOL-CYBMUJFWSA-N -1 3 389.416 0.634 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000736633486 599277734 /nfs/dbraw/zinc/27/77/34/599277734.db2.gz BSVGBUZGOIBCOL-CYBMUJFWSA-N -1 3 389.416 0.634 20 0 GCADHM CN1CCc2ccc(NC[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2C1=O ZINC000821630297 607318313 /nfs/dbraw/zinc/31/83/13/607318313.db2.gz SGLUKAFZBQRDOU-LLVKDONJSA-N -1 3 379.428 0.845 20 0 GCADHM CN1CCc2ccc(NC[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2C1=O ZINC000821630297 607318314 /nfs/dbraw/zinc/31/83/14/607318314.db2.gz SGLUKAFZBQRDOU-LLVKDONJSA-N -1 3 379.428 0.845 20 0 GCADHM CN(Cc1cnccn1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736830248 599279998 /nfs/dbraw/zinc/27/99/98/599279998.db2.gz QQEWUFKLDVANHB-UHFFFAOYSA-N -1 3 394.443 0.862 20 0 GCADHM CN(Cc1cnccn1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736830248 599280000 /nfs/dbraw/zinc/28/00/00/599280000.db2.gz QQEWUFKLDVANHB-UHFFFAOYSA-N -1 3 394.443 0.862 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000737062298 599280934 /nfs/dbraw/zinc/28/09/34/599280934.db2.gz IKJYGWROFHJREV-GFCCVEGCSA-N -1 3 375.389 0.244 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC000737062298 599280936 /nfs/dbraw/zinc/28/09/36/599280936.db2.gz IKJYGWROFHJREV-GFCCVEGCSA-N -1 3 375.389 0.244 20 0 GCADHM Cc1cnn(CCNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000737447499 599280978 /nfs/dbraw/zinc/28/09/78/599280978.db2.gz CWPWGIOKHQRWBI-UHFFFAOYSA-N -1 3 382.432 0.298 20 0 GCADHM Cc1cnn(CCNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000737447499 599280980 /nfs/dbraw/zinc/28/09/80/599280980.db2.gz CWPWGIOKHQRWBI-UHFFFAOYSA-N -1 3 382.432 0.298 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000737294461 599281625 /nfs/dbraw/zinc/28/16/25/599281625.db2.gz PDRCFSOIWQGUEC-CYBMUJFWSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000737294461 599281626 /nfs/dbraw/zinc/28/16/26/599281626.db2.gz PDRCFSOIWQGUEC-CYBMUJFWSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000737222443 599283812 /nfs/dbraw/zinc/28/38/12/599283812.db2.gz ZKXZKISHQMJOMD-UHFFFAOYSA-N -1 3 384.440 0.943 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1nc2c(s1)COCC2 ZINC000736813595 599280439 /nfs/dbraw/zinc/28/04/39/599280439.db2.gz LEBYIACMJDVMJW-UHFFFAOYSA-N -1 3 399.436 0.993 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1nc2c(s1)COCC2 ZINC000736813595 599280442 /nfs/dbraw/zinc/28/04/42/599280442.db2.gz LEBYIACMJDVMJW-UHFFFAOYSA-N -1 3 399.436 0.993 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821926251 599287687 /nfs/dbraw/zinc/28/76/87/599287687.db2.gz CNQUSJSDJIITRC-UHFFFAOYSA-N -1 3 390.429 0.430 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821926251 599287690 /nfs/dbraw/zinc/28/76/90/599287690.db2.gz CNQUSJSDJIITRC-UHFFFAOYSA-N -1 3 390.429 0.430 20 0 GCADHM NC(=O)COCCNC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000822869617 607324756 /nfs/dbraw/zinc/32/47/56/607324756.db2.gz ZMTRXDODCFUAAV-UHFFFAOYSA-N -1 3 396.407 0.677 20 0 GCADHM NC(=O)COCCNC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000822869617 607324757 /nfs/dbraw/zinc/32/47/57/607324757.db2.gz ZMTRXDODCFUAAV-UHFFFAOYSA-N -1 3 396.407 0.677 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1(O)CCCC1 ZINC000820450287 607323481 /nfs/dbraw/zinc/32/34/81/607323481.db2.gz JBXMOGFZBFPLHT-NSHDSACASA-N -1 3 395.441 0.382 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1(O)CCCC1 ZINC000820450287 607323482 /nfs/dbraw/zinc/32/34/82/607323482.db2.gz JBXMOGFZBFPLHT-NSHDSACASA-N -1 3 395.441 0.382 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1(O)CCCC1 ZINC000820450285 607323563 /nfs/dbraw/zinc/32/35/63/607323563.db2.gz JBXMOGFZBFPLHT-LLVKDONJSA-N -1 3 395.441 0.382 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1(O)CCCC1 ZINC000820450285 607323564 /nfs/dbraw/zinc/32/35/64/607323564.db2.gz JBXMOGFZBFPLHT-LLVKDONJSA-N -1 3 395.441 0.382 20 0 GCADHM COc1cc(CN(C)C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1O ZINC000821712295 607324285 /nfs/dbraw/zinc/32/42/85/607324285.db2.gz DUKDBQOUBSFIAJ-UHFFFAOYSA-N -1 3 396.407 0.969 20 0 GCADHM COc1cc(CN(C)C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC000821712295 607324286 /nfs/dbraw/zinc/32/42/86/607324286.db2.gz DUKDBQOUBSFIAJ-UHFFFAOYSA-N -1 3 396.407 0.969 20 0 GCADHM C[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@H]1CN(C)CCO1 ZINC000820396279 607325171 /nfs/dbraw/zinc/32/51/71/607325171.db2.gz DSJGUITXPPAJBV-XHDPSFHLSA-N -1 3 397.443 0.084 20 0 GCADHM C[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[C@H]1CN(C)CCO1 ZINC000820396279 607325172 /nfs/dbraw/zinc/32/51/72/607325172.db2.gz DSJGUITXPPAJBV-XHDPSFHLSA-N -1 3 397.443 0.084 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821284662 607328311 /nfs/dbraw/zinc/32/83/11/607328311.db2.gz GRFZNSZTICBDNP-UHFFFAOYSA-N -1 3 383.409 0.042 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821284662 607328312 /nfs/dbraw/zinc/32/83/12/607328312.db2.gz GRFZNSZTICBDNP-UHFFFAOYSA-N -1 3 383.409 0.042 20 0 GCADHM Cc1nnc(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000822509648 607332018 /nfs/dbraw/zinc/33/20/18/607332018.db2.gz CAYGVCJSLFQZIX-JTQLQIEISA-N 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CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000819802429 607334784 /nfs/dbraw/zinc/33/47/84/607334784.db2.gz BDOMWUOQTDSYIE-NSHDSACASA-N -1 3 389.391 0.319 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000819802429 607334786 /nfs/dbraw/zinc/33/47/86/607334786.db2.gz BDOMWUOQTDSYIE-NSHDSACASA-N -1 3 389.391 0.319 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCN(c2ncccn2)CC1 ZINC000823323197 607335007 /nfs/dbraw/zinc/33/50/07/607335007.db2.gz GJQHVBJVDRIXEZ-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCN(c2ncccn2)CC1 ZINC000823323197 607335009 /nfs/dbraw/zinc/33/50/09/607335009.db2.gz GJQHVBJVDRIXEZ-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM CNC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821631808 607336156 /nfs/dbraw/zinc/33/61/56/607336156.db2.gz UEDONJXSZGNOSK-UHFFFAOYSA-N -1 3 389.391 0.365 20 0 GCADHM CNC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821631808 607336158 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375.364 0.025 20 0 GCADHM CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821601430 607339262 /nfs/dbraw/zinc/33/92/62/607339262.db2.gz GXHXNNXRADSQAX-UHFFFAOYSA-N -1 3 375.364 0.025 20 0 GCADHM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000822864936 607342008 /nfs/dbraw/zinc/34/20/08/607342008.db2.gz PRYBYLNIMUZKIM-VIFPVBQESA-N -1 3 375.364 0.058 20 0 GCADHM NC(=O)C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000822864936 607342010 /nfs/dbraw/zinc/34/20/10/607342010.db2.gz PRYBYLNIMUZKIM-VIFPVBQESA-N -1 3 375.364 0.058 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000820620977 598175484 /nfs/dbraw/zinc/17/54/84/598175484.db2.gz ZKQZLTIGIBNRGZ-OAHLLOKOSA-N -1 3 388.424 0.088 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000823323455 607342584 /nfs/dbraw/zinc/34/25/84/607342584.db2.gz OIZPXQYCODDVBX-LSDHHAIUSA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000823323455 607342586 /nfs/dbraw/zinc/34/25/86/607342586.db2.gz OIZPXQYCODDVBX-LSDHHAIUSA-N -1 3 382.355 0.719 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1=O ZINC000820665790 607343533 /nfs/dbraw/zinc/34/35/33/607343533.db2.gz GTCMFLHDKFOUSG-ZDSQKVDBSA-N -1 3 387.375 0.070 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1=O ZINC000820665790 607343535 /nfs/dbraw/zinc/34/35/35/607343535.db2.gz GTCMFLHDKFOUSG-ZDSQKVDBSA-N -1 3 387.375 0.070 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c[nH]1 ZINC000737756577 598231674 /nfs/dbraw/zinc/23/16/74/598231674.db2.gz XEWAQAMIHHQOFZ-UHFFFAOYSA-N -1 3 384.375 0.395 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)nc1 ZINC000737760682 598232443 /nfs/dbraw/zinc/23/24/43/598232443.db2.gz QFXLUZBACBAELR-UHFFFAOYSA-N -1 3 378.396 0.323 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)nc1 ZINC000737760682 598232445 /nfs/dbraw/zinc/23/24/45/598232445.db2.gz QFXLUZBACBAELR-UHFFFAOYSA-N -1 3 378.396 0.323 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCN1CCCS1(=O)=O ZINC000736184699 598233040 /nfs/dbraw/zinc/23/30/40/598233040.db2.gz MJRJYWOFFLQTMG-LBPRGKRZSA-N -1 3 394.457 0.176 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCN1CCCS1(=O)=O ZINC000736184699 598233041 /nfs/dbraw/zinc/23/30/41/598233041.db2.gz MJRJYWOFFLQTMG-LBPRGKRZSA-N -1 3 394.457 0.176 20 0 GCADHM CN(Cc1cnn(C)c1)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736831759 598233470 /nfs/dbraw/zinc/23/34/70/598233470.db2.gz UIAWKMNCFLWEIZ-GOSISDBHSA-N -1 3 395.427 0.457 20 0 GCADHM CN(Cc1cnn(C)c1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736831759 598233472 /nfs/dbraw/zinc/23/34/72/598233472.db2.gz UIAWKMNCFLWEIZ-GOSISDBHSA-N -1 3 395.427 0.457 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736295540 598233501 /nfs/dbraw/zinc/23/35/01/598233501.db2.gz ZSABTWSVMXVVFA-PBHICJAKSA-N -1 3 385.472 0.672 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736293128 598233687 /nfs/dbraw/zinc/23/36/87/598233687.db2.gz ODSAMIFDKWYYQB-GFCCVEGCSA-N -1 3 397.443 0.085 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736293128 598233689 /nfs/dbraw/zinc/23/36/89/598233689.db2.gz ODSAMIFDKWYYQB-GFCCVEGCSA-N -1 3 397.443 0.085 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736295047 598233704 /nfs/dbraw/zinc/23/37/04/598233704.db2.gz XJHWHCGVZOCHRK-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736295047 598233706 /nfs/dbraw/zinc/23/37/06/598233706.db2.gz XJHWHCGVZOCHRK-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM O=S(=O)(N1CCCC1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738331686 598237810 /nfs/dbraw/zinc/23/78/10/598237810.db2.gz WAKMMJOKMJTXCU-UHFFFAOYSA-N -1 3 381.437 0.468 20 0 GCADHM CCS(=O)(=O)NCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000736663453 598248147 /nfs/dbraw/zinc/24/81/47/598248147.db2.gz FYABWMFJHZPIPD-UHFFFAOYSA-N -1 3 399.839 0.981 20 0 GCADHM CCS(=O)(=O)NCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000736663453 598248148 /nfs/dbraw/zinc/24/81/48/598248148.db2.gz FYABWMFJHZPIPD-UHFFFAOYSA-N -1 3 399.839 0.981 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737755654 598250685 /nfs/dbraw/zinc/25/06/85/598250685.db2.gz OLCWEHXFVFYGKG-INIZCTEOSA-N -1 3 377.408 0.400 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737755654 598250686 /nfs/dbraw/zinc/25/06/86/598250686.db2.gz OLCWEHXFVFYGKG-INIZCTEOSA-N -1 3 377.408 0.400 20 0 GCADHM CCCCOCCNC(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736462659 598251282 /nfs/dbraw/zinc/25/12/82/598251282.db2.gz FRJLIPWPFRQSMK-UHFFFAOYSA-N -1 3 387.488 0.922 20 0 GCADHM CCCCOCCNC(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736462659 598251283 /nfs/dbraw/zinc/25/12/83/598251283.db2.gz FRJLIPWPFRQSMK-UHFFFAOYSA-N -1 3 387.488 0.922 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735888160 598252405 /nfs/dbraw/zinc/25/24/05/598252405.db2.gz HXSZOIXATHXCBZ-ZDUSSCGKSA-N -1 3 386.460 0.611 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735888160 598252407 /nfs/dbraw/zinc/25/24/07/598252407.db2.gz HXSZOIXATHXCBZ-ZDUSSCGKSA-N -1 3 386.460 0.611 20 0 GCADHM O=C(CN1CCC(N2CCCC2=O)CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737875313 598252765 /nfs/dbraw/zinc/25/27/65/598252765.db2.gz IOYOXOAVLOHWLT-UHFFFAOYSA-N -1 3 383.456 0.570 20 0 GCADHM O=C(CN1CCC(N2CCCC2=O)CC1)Nc1sccc1-c1nnn[n-]1 ZINC000737876596 598252779 /nfs/dbraw/zinc/25/27/79/598252779.db2.gz RLASYNLQSRCGDS-UHFFFAOYSA-N -1 3 375.458 0.954 20 0 GCADHM O=C(CN1CCC(N2CCCC2=O)CC1)Nc1sccc1-c1nn[n-]n1 ZINC000737876596 598252780 /nfs/dbraw/zinc/25/27/80/598252780.db2.gz RLASYNLQSRCGDS-UHFFFAOYSA-N -1 3 375.458 0.954 20 0 GCADHM COCCOc1cn(-c2ccccc2)nc1C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000737012903 598259231 /nfs/dbraw/zinc/25/92/31/598259231.db2.gz AJAHGPKTVYHJAP-UHFFFAOYSA-N -1 3 395.383 0.545 20 0 GCADHM CN(C)[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000736760908 598260780 /nfs/dbraw/zinc/26/07/80/598260780.db2.gz RMKBNRXTNBWDRC-GFCCVEGCSA-N -1 3 379.471 0.904 20 0 GCADHM CN(C)[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000736760908 598260781 /nfs/dbraw/zinc/26/07/81/598260781.db2.gz RMKBNRXTNBWDRC-GFCCVEGCSA-N -1 3 379.471 0.904 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738319327 598260912 /nfs/dbraw/zinc/26/09/12/598260912.db2.gz VCSSFSKYZXRPIL-MRXNPFEDSA-N -1 3 392.485 0.493 20 0 GCADHM O=S(=O)(C[C@H]1CCCO1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738319327 598260914 /nfs/dbraw/zinc/26/09/14/598260914.db2.gz VCSSFSKYZXRPIL-MRXNPFEDSA-N -1 3 392.485 0.493 20 0 GCADHM CCOCCS(=O)(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736625630 598265531 /nfs/dbraw/zinc/26/55/31/598265531.db2.gz JJPXQYJQQXGMGX-UHFFFAOYSA-N -1 3 380.474 0.745 20 0 GCADHM CCOCCS(=O)(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736625630 598265532 /nfs/dbraw/zinc/26/55/32/598265532.db2.gz JJPXQYJQQXGMGX-UHFFFAOYSA-N -1 3 380.474 0.745 20 0 GCADHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736593874 598265861 /nfs/dbraw/zinc/26/58/61/598265861.db2.gz LXTJEWMRTDAZES-CYBMUJFWSA-N -1 3 380.430 0.229 20 0 GCADHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736593874 598265863 /nfs/dbraw/zinc/26/58/63/598265863.db2.gz LXTJEWMRTDAZES-CYBMUJFWSA-N -1 3 380.430 0.229 20 0 GCADHM C[C@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@H](C)N1CCOCC1 ZINC000736119926 598268664 /nfs/dbraw/zinc/26/86/64/598268664.db2.gz WUXRLTCFNQYNST-STQMWFEESA-N -1 3 389.464 0.082 20 0 GCADHM C[C@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@H](C)N1CCOCC1 ZINC000736119926 598268665 /nfs/dbraw/zinc/26/86/65/598268665.db2.gz WUXRLTCFNQYNST-STQMWFEESA-N -1 3 389.464 0.082 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735684118 598271139 /nfs/dbraw/zinc/27/11/39/598271139.db2.gz BQULGLWUFKRIGM-CYBMUJFWSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735684118 598271141 /nfs/dbraw/zinc/27/11/41/598271141.db2.gz BQULGLWUFKRIGM-CYBMUJFWSA-N -1 3 378.458 0.792 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000738354692 598271604 /nfs/dbraw/zinc/27/16/04/598271604.db2.gz JSBOJLKIZWXCBG-ZDUSSCGKSA-N -1 3 393.473 0.137 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000738354692 598271605 /nfs/dbraw/zinc/27/16/05/598271605.db2.gz JSBOJLKIZWXCBG-ZDUSSCGKSA-N -1 3 393.473 0.137 20 0 GCADHM O=S(=O)(N1CCCCC1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738330895 598272511 /nfs/dbraw/zinc/27/25/11/598272511.db2.gz UINHPIKDNNBEGY-UHFFFAOYSA-N -1 3 395.464 0.859 20 0 GCADHM O=C(NCc1cccc(CO)c1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738117403 598273601 /nfs/dbraw/zinc/27/36/01/598273601.db2.gz REWLOKMFQBJRPX-UHFFFAOYSA-N -1 3 394.439 0.786 20 0 GCADHM O=C(NCc1cccc(CO)c1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738117403 598273602 /nfs/dbraw/zinc/27/36/02/598273602.db2.gz REWLOKMFQBJRPX-UHFFFAOYSA-N -1 3 394.439 0.786 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000737198942 598278835 /nfs/dbraw/zinc/27/88/35/598278835.db2.gz KTHZLYBUMNVKOH-UHFFFAOYSA-N -1 3 382.359 0.856 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000737198942 598278837 /nfs/dbraw/zinc/27/88/37/598278837.db2.gz KTHZLYBUMNVKOH-UHFFFAOYSA-N -1 3 382.359 0.856 20 0 GCADHM CN(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(-c2nnn[n-]2)cc1F ZINC000736731368 598279390 /nfs/dbraw/zinc/27/93/90/598279390.db2.gz AXRWAUIHAVGGES-UHFFFAOYSA-N -1 3 397.374 0.984 20 0 GCADHM CN(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(-c2nn[n-]n2)cc1F ZINC000736731368 598279392 /nfs/dbraw/zinc/27/93/92/598279392.db2.gz AXRWAUIHAVGGES-UHFFFAOYSA-N -1 3 397.374 0.984 20 0 GCADHM CC(=O)NCCCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735474347 598281681 /nfs/dbraw/zinc/28/16/81/598281681.db2.gz NWMNAQRIXXVDBQ-UHFFFAOYSA-N -1 3 390.423 0.364 20 0 GCADHM Cc1ccncc1NC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737444535 598290184 /nfs/dbraw/zinc/29/01/84/598290184.db2.gz MTBYZPWMCDDILD-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1ccncc1NC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737444535 598290186 /nfs/dbraw/zinc/29/01/86/598290186.db2.gz MTBYZPWMCDDILD-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735536432 598290848 /nfs/dbraw/zinc/29/08/48/598290848.db2.gz GHIMZDHOXZNTBQ-GJZGRUSLSA-N -1 3 385.472 0.672 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735536432 598290850 /nfs/dbraw/zinc/29/08/50/598290850.db2.gz GHIMZDHOXZNTBQ-GJZGRUSLSA-N -1 3 385.472 0.672 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)c1nnc(N2CCOCC2)s1 ZINC000738328452 598291114 /nfs/dbraw/zinc/29/11/14/598291114.db2.gz FMDVCAPHFZWXIT-UHFFFAOYSA-N -1 3 393.454 0.529 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)c1nnc(N2CCOCC2)s1 ZINC000738328452 598291115 /nfs/dbraw/zinc/29/11/15/598291115.db2.gz FMDVCAPHFZWXIT-UHFFFAOYSA-N -1 3 393.454 0.529 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCNS(C)(=O)=O ZINC000735734909 598291188 /nfs/dbraw/zinc/29/11/88/598291188.db2.gz KMIBBPRVOCXYSQ-CYBMUJFWSA-N -1 3 383.430 0.363 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCNS(C)(=O)=O ZINC000735734909 598291189 /nfs/dbraw/zinc/29/11/89/598291189.db2.gz KMIBBPRVOCXYSQ-CYBMUJFWSA-N -1 3 383.430 0.363 20 0 GCADHM COCCCNC(=O)CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736986809 598292325 /nfs/dbraw/zinc/29/23/25/598292325.db2.gz PMYKQVLUXSOFKK-UHFFFAOYSA-N -1 3 377.424 0.281 20 0 GCADHM COCCn1ccc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737017735 598292476 /nfs/dbraw/zinc/29/24/76/598292476.db2.gz ZVVDZODRPXKZRM-UHFFFAOYSA-N -1 3 398.431 0.459 20 0 GCADHM COCCn1ccc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737017735 598292478 /nfs/dbraw/zinc/29/24/78/598292478.db2.gz ZVVDZODRPXKZRM-UHFFFAOYSA-N -1 3 398.431 0.459 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000738224857 598292525 /nfs/dbraw/zinc/29/25/25/598292525.db2.gz WQZFBIURXFARFO-ZDUSSCGKSA-N -1 3 385.428 0.865 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000738224857 598292527 /nfs/dbraw/zinc/29/25/27/598292527.db2.gz WQZFBIURXFARFO-ZDUSSCGKSA-N -1 3 385.428 0.865 20 0 GCADHM COCCn1ccc(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000737016999 598292533 /nfs/dbraw/zinc/29/25/33/598292533.db2.gz QDTUYURVTOGBEM-UHFFFAOYSA-N -1 3 398.431 0.459 20 0 GCADHM COCCn1ccc(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000737016999 598292535 /nfs/dbraw/zinc/29/25/35/598292535.db2.gz QDTUYURVTOGBEM-UHFFFAOYSA-N -1 3 398.431 0.459 20 0 GCADHM O=C(NCCn1ccnc1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000738095498 598293267 /nfs/dbraw/zinc/29/32/67/598293267.db2.gz WNOPYQSQZFNTLB-UHFFFAOYSA-N -1 3 385.407 0.734 20 0 GCADHM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738315222 598293654 /nfs/dbraw/zinc/29/36/54/598293654.db2.gz GBXWLNBAHYAILP-AWEZNQCLSA-N -1 3 378.348 0.836 20 0 GCADHM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738315222 598293655 /nfs/dbraw/zinc/29/36/55/598293655.db2.gz GBXWLNBAHYAILP-AWEZNQCLSA-N -1 3 378.348 0.836 20 0 GCADHM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738315225 598293719 /nfs/dbraw/zinc/29/37/19/598293719.db2.gz GBXWLNBAHYAILP-CQSZACIVSA-N -1 3 378.348 0.836 20 0 GCADHM O=C(Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738315225 598293721 /nfs/dbraw/zinc/29/37/21/598293721.db2.gz GBXWLNBAHYAILP-CQSZACIVSA-N -1 3 378.348 0.836 20 0 GCADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735467292 598293830 /nfs/dbraw/zinc/29/38/30/598293830.db2.gz LWGUVTZXXFFAPE-AWEZNQCLSA-N -1 3 382.384 0.166 20 0 GCADHM CC(=O)N1c2ccccc2C[C@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735467292 598293832 /nfs/dbraw/zinc/29/38/32/598293832.db2.gz LWGUVTZXXFFAPE-AWEZNQCLSA-N -1 3 382.384 0.166 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000737772253 598293917 /nfs/dbraw/zinc/29/39/17/598293917.db2.gz WNCATUGRKXYXQH-UHFFFAOYSA-N -1 3 379.384 0.617 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000737772253 598293919 /nfs/dbraw/zinc/29/39/19/598293919.db2.gz WNCATUGRKXYXQH-UHFFFAOYSA-N -1 3 379.384 0.617 20 0 GCADHM COC(=O)COc1cccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000736930589 598294323 /nfs/dbraw/zinc/29/43/23/598294323.db2.gz FMEURYYRRHGEDF-UHFFFAOYSA-N -1 3 387.356 0.054 20 0 GCADHM COC(=O)COc1cccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000736930589 598294325 /nfs/dbraw/zinc/29/43/25/598294325.db2.gz FMEURYYRRHGEDF-UHFFFAOYSA-N -1 3 387.356 0.054 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCNC(=O)c1ccc(F)cc1 ZINC000737769759 598295198 /nfs/dbraw/zinc/29/51/98/598295198.db2.gz CZFOIDJVOKQQTA-UHFFFAOYSA-N -1 3 388.363 0.148 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCNC(=O)c1ccc(F)cc1 ZINC000737769759 598295199 /nfs/dbraw/zinc/29/51/99/598295199.db2.gz CZFOIDJVOKQQTA-UHFFFAOYSA-N -1 3 388.363 0.148 20 0 GCADHM CCn1cc(NC(=S)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000736721892 598295523 /nfs/dbraw/zinc/29/55/23/598295523.db2.gz GIBWCTZVKQDDFW-UHFFFAOYSA-N -1 3 384.473 0.997 20 0 GCADHM CCn1cc(NC(=S)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000736721892 598295524 /nfs/dbraw/zinc/29/55/24/598295524.db2.gz GIBWCTZVKQDDFW-UHFFFAOYSA-N -1 3 384.473 0.997 20 0 GCADHM COC(=O)c1nc2n(n1)CCCN2C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736957869 598296338 /nfs/dbraw/zinc/29/63/38/598296338.db2.gz WLFSNDXUQOGGJX-UHFFFAOYSA-N -1 3 382.384 0.614 20 0 GCADHM COC(=O)c1nc2n(n1)CCCN2C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736957869 598296340 /nfs/dbraw/zinc/29/63/40/598296340.db2.gz WLFSNDXUQOGGJX-UHFFFAOYSA-N -1 3 382.384 0.614 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)Nc1cccnc1 ZINC000737847719 598296436 /nfs/dbraw/zinc/29/64/36/598296436.db2.gz LBWRUQZBNXMXAT-UHFFFAOYSA-N -1 3 391.388 0.708 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)Nc1cccnc1 ZINC000737847719 598296438 /nfs/dbraw/zinc/29/64/38/598296438.db2.gz LBWRUQZBNXMXAT-UHFFFAOYSA-N -1 3 391.388 0.708 20 0 GCADHM O=c1ccn(C2CC2)c(SCc2cc(=O)n3ncc(-c4nnn[n-]4)c3[nH]2)n1 ZINC000738381098 598296501 /nfs/dbraw/zinc/29/65/01/598296501.db2.gz TYDJYTFQOYLLPR-UHFFFAOYSA-N -1 3 383.397 0.799 20 0 GCADHM S=C(NCCc1ccccn1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738400634 598296827 /nfs/dbraw/zinc/29/68/27/598296827.db2.gz HSIHFLMVZBPXKK-UHFFFAOYSA-N -1 3 395.496 0.896 20 0 GCADHM S=C(NCCc1ccccn1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738400634 598296828 /nfs/dbraw/zinc/29/68/28/598296828.db2.gz HSIHFLMVZBPXKK-UHFFFAOYSA-N -1 3 395.496 0.896 20 0 GCADHM CC(C)CNC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000735836276 598300312 /nfs/dbraw/zinc/30/03/12/598300312.db2.gz XDZVACXVBDIWEG-GFCCVEGCSA-N -1 3 396.498 0.703 20 0 GCADHM CC(C)CNC(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000735836276 598300314 /nfs/dbraw/zinc/30/03/14/598300314.db2.gz XDZVACXVBDIWEG-GFCCVEGCSA-N -1 3 396.498 0.703 20 0 GCADHM O=C(NCC1CC1)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000738044181 598300987 /nfs/dbraw/zinc/30/09/87/598300987.db2.gz HXJDHOMDEOCZAD-GFCCVEGCSA-N -1 3 394.482 0.457 20 0 GCADHM O=C(NCC1CC1)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000738044181 598300989 /nfs/dbraw/zinc/30/09/89/598300989.db2.gz HXJDHOMDEOCZAD-GFCCVEGCSA-N -1 3 394.482 0.457 20 0 GCADHM CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736731335 598301176 /nfs/dbraw/zinc/30/11/76/598301176.db2.gz AFHBIZIIHGPNGC-LBPRGKRZSA-N -1 3 394.482 0.551 20 0 GCADHM CN(C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736731335 598301177 /nfs/dbraw/zinc/30/11/77/598301177.db2.gz AFHBIZIIHGPNGC-LBPRGKRZSA-N -1 3 394.482 0.551 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000735465342 598302801 /nfs/dbraw/zinc/30/28/01/598302801.db2.gz JBZAQPQJXJDYID-GOSISDBHSA-N -1 3 397.483 0.769 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736658310 598303273 /nfs/dbraw/zinc/30/32/73/598303273.db2.gz AKFWMJCHQDMIIX-UHFFFAOYSA-N -1 3 396.448 0.684 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736658310 598303274 /nfs/dbraw/zinc/30/32/74/598303274.db2.gz AKFWMJCHQDMIIX-UHFFFAOYSA-N -1 3 396.448 0.684 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736095551 598303631 /nfs/dbraw/zinc/30/36/31/598303631.db2.gz GNJCVZBPCMRULA-CYBMUJFWSA-N -1 3 382.432 0.379 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736095551 598303632 /nfs/dbraw/zinc/30/36/32/598303632.db2.gz GNJCVZBPCMRULA-CYBMUJFWSA-N -1 3 382.432 0.379 20 0 GCADHM CC1(C)CN(CCNC(=O)NCCNc2ncccc2-c2nnn[n-]2)CCO1 ZINC000736213671 598303683 /nfs/dbraw/zinc/30/36/83/598303683.db2.gz LWGPCKLDQRUXLT-UHFFFAOYSA-N -1 3 389.464 0.084 20 0 GCADHM CC1(C)CN(CCNC(=O)NCCNc2ncccc2-c2nn[n-]n2)CCO1 ZINC000736213671 598303685 /nfs/dbraw/zinc/30/36/85/598303685.db2.gz LWGPCKLDQRUXLT-UHFFFAOYSA-N -1 3 389.464 0.084 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736095552 598303778 /nfs/dbraw/zinc/30/37/78/598303778.db2.gz GNJCVZBPCMRULA-ZDUSSCGKSA-N -1 3 382.432 0.379 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736095552 598303780 /nfs/dbraw/zinc/30/37/80/598303780.db2.gz GNJCVZBPCMRULA-ZDUSSCGKSA-N -1 3 382.432 0.379 20 0 GCADHM Cn1c2ccccc2n(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1=O ZINC000737588438 598303998 /nfs/dbraw/zinc/30/39/98/598303998.db2.gz HGSPMIKTOWRGNE-UHFFFAOYSA-N -1 3 381.371 0.976 20 0 GCADHM Cn1c2ccccc2n(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1=O ZINC000737588438 598303999 /nfs/dbraw/zinc/30/39/99/598303999.db2.gz HGSPMIKTOWRGNE-UHFFFAOYSA-N -1 3 381.371 0.976 20 0 GCADHM CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000736395855 598304303 /nfs/dbraw/zinc/30/43/03/598304303.db2.gz JRTJXBVHKOYJHJ-UHFFFAOYSA-N -1 3 389.391 0.733 20 0 GCADHM CCC1(CC)NC(=O)N(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000736395855 598304305 /nfs/dbraw/zinc/30/43/05/598304305.db2.gz JRTJXBVHKOYJHJ-UHFFFAOYSA-N -1 3 389.391 0.733 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736411458 598305337 /nfs/dbraw/zinc/30/53/37/598305337.db2.gz JONLKPMHINOYDE-CQSZACIVSA-N -1 3 385.428 0.713 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736411458 598305338 /nfs/dbraw/zinc/30/53/38/598305338.db2.gz JONLKPMHINOYDE-CQSZACIVSA-N -1 3 385.428 0.713 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736412979 598305583 /nfs/dbraw/zinc/30/55/83/598305583.db2.gz RVAWHDOKNJOWMF-AWEZNQCLSA-N -1 3 385.428 0.713 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736412979 598305585 /nfs/dbraw/zinc/30/55/85/598305585.db2.gz RVAWHDOKNJOWMF-AWEZNQCLSA-N -1 3 385.428 0.713 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000737287557 598306273 /nfs/dbraw/zinc/30/62/73/598306273.db2.gz DPFZANDUEWWVBD-CQSZACIVSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000737287557 598306274 /nfs/dbraw/zinc/30/62/74/598306274.db2.gz DPFZANDUEWWVBD-CQSZACIVSA-N -1 3 399.455 0.877 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737879641 598306426 /nfs/dbraw/zinc/30/64/26/598306426.db2.gz WBHRYXIOGRWDCI-BETUJISGSA-N -1 3 386.387 0.797 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737879641 598306428 /nfs/dbraw/zinc/30/64/28/598306428.db2.gz WBHRYXIOGRWDCI-BETUJISGSA-N -1 3 386.387 0.797 20 0 GCADHM CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736412434 598307015 /nfs/dbraw/zinc/30/70/15/598307015.db2.gz ORBMROVPDIKONF-ZDUSSCGKSA-N -1 3 399.455 0.960 20 0 GCADHM CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736412434 598307017 /nfs/dbraw/zinc/30/70/17/598307017.db2.gz ORBMROVPDIKONF-ZDUSSCGKSA-N -1 3 399.455 0.960 20 0 GCADHM CCc1nc(CCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)no1 ZINC000736700942 598307251 /nfs/dbraw/zinc/30/72/51/598307251.db2.gz VYIUOZFIJLMZDA-UHFFFAOYSA-N -1 3 394.399 0.553 20 0 GCADHM CCc1nc(CCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)no1 ZINC000736700942 598307253 /nfs/dbraw/zinc/30/72/53/598307253.db2.gz VYIUOZFIJLMZDA-UHFFFAOYSA-N -1 3 394.399 0.553 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000738304938 598308791 /nfs/dbraw/zinc/30/87/91/598308791.db2.gz QXZBNQUTFRHMKW-CQSZACIVSA-N -1 3 383.412 0.322 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000738304938 598308793 /nfs/dbraw/zinc/30/87/93/598308793.db2.gz QXZBNQUTFRHMKW-CQSZACIVSA-N -1 3 383.412 0.322 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000738102662 598309591 /nfs/dbraw/zinc/30/95/91/598309591.db2.gz SUPSMDIJKQZQRP-UHFFFAOYSA-N -1 3 381.327 0.466 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000738102662 598309593 /nfs/dbraw/zinc/30/95/93/598309593.db2.gz SUPSMDIJKQZQRP-UHFFFAOYSA-N -1 3 381.327 0.466 20 0 GCADHM COC(=O)CSCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736931122 598310565 /nfs/dbraw/zinc/31/05/65/598310565.db2.gz QCFZYTLHRBLBRX-AWEZNQCLSA-N -1 3 390.469 0.858 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-n2cncn2)cc1 ZINC000737889102 598312456 /nfs/dbraw/zinc/31/24/56/598312456.db2.gz JPMOHMUBDQTINU-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-n2cncn2)cc1 ZINC000737889102 598312458 /nfs/dbraw/zinc/31/24/58/598312458.db2.gz JPMOHMUBDQTINU-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM NS(=O)(=O)c1ccc(OCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737769949 598312957 /nfs/dbraw/zinc/31/29/57/598312957.db2.gz RRCXNFIWXGHTJO-UHFFFAOYSA-N -1 3 388.409 0.922 20 0 GCADHM NS(=O)(=O)c1ccc(OCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737769949 598312960 /nfs/dbraw/zinc/31/29/60/598312960.db2.gz RRCXNFIWXGHTJO-UHFFFAOYSA-N -1 3 388.409 0.922 20 0 GCADHM NS(=O)(=O)c1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737768989 598316617 /nfs/dbraw/zinc/31/66/17/598316617.db2.gz BXNPBGCLGRNQKG-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737768989 598316619 /nfs/dbraw/zinc/31/66/19/598316619.db2.gz BXNPBGCLGRNQKG-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737891126 598322970 /nfs/dbraw/zinc/32/29/70/598322970.db2.gz GUCWZMMXOJPPQW-UHFFFAOYSA-N -1 3 398.354 0.781 20 0 GCADHM O=C(CNC(=O)c1ccc2c(c1)OCO2)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737891126 598322971 /nfs/dbraw/zinc/32/29/71/598322971.db2.gz GUCWZMMXOJPPQW-UHFFFAOYSA-N -1 3 398.354 0.781 20 0 GCADHM CS(=O)(=O)N1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737165707 598326861 /nfs/dbraw/zinc/32/68/61/598326861.db2.gz LZIJHDFSQCIFQE-UHFFFAOYSA-N -1 3 397.436 0.183 20 0 GCADHM CS(=O)(=O)N1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737165707 598326863 /nfs/dbraw/zinc/32/68/63/598326863.db2.gz LZIJHDFSQCIFQE-UHFFFAOYSA-N -1 3 397.436 0.183 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736751580 598328473 /nfs/dbraw/zinc/32/84/73/598328473.db2.gz NKSMUYMZBVDDKL-UHFFFAOYSA-N -1 3 376.396 0.515 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736751580 598328475 /nfs/dbraw/zinc/32/84/75/598328475.db2.gz NKSMUYMZBVDDKL-UHFFFAOYSA-N -1 3 376.396 0.515 20 0 GCADHM COCC(=O)N1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736965698 598329664 /nfs/dbraw/zinc/32/96/64/598329664.db2.gz GSBKBDKYHYXWHZ-UHFFFAOYSA-N -1 3 377.380 0.006 20 0 GCADHM COCC(=O)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736965698 598329665 /nfs/dbraw/zinc/32/96/65/598329665.db2.gz GSBKBDKYHYXWHZ-UHFFFAOYSA-N -1 3 377.380 0.006 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000737839479 598330771 /nfs/dbraw/zinc/33/07/71/598330771.db2.gz TVPKUPLGGLEKKX-UHFFFAOYSA-N -1 3 388.453 0.755 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000737839479 598330773 /nfs/dbraw/zinc/33/07/73/598330773.db2.gz TVPKUPLGGLEKKX-UHFFFAOYSA-N -1 3 388.453 0.755 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736931129 598331992 /nfs/dbraw/zinc/33/19/92/598331992.db2.gz QCWXUFJMZIXDGV-UHFFFAOYSA-N -1 3 398.832 0.481 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736931129 598331994 /nfs/dbraw/zinc/33/19/94/598331994.db2.gz QCWXUFJMZIXDGV-UHFFFAOYSA-N -1 3 398.832 0.481 20 0 GCADHM c1nnc2ccc(N3CCN(c4nc5c(cc4-c4nnn[n-]4)CCC5)CC3)nn12 ZINC000738420497 598335151 /nfs/dbraw/zinc/33/51/51/598335151.db2.gz HZHRAUXQJYXWKK-UHFFFAOYSA-N -1 3 389.427 0.515 20 0 GCADHM c1nnc2ccc(N3CCN(c4nc5c(cc4-c4nn[n-]n4)CCC5)CC3)nn12 ZINC000738420497 598335153 /nfs/dbraw/zinc/33/51/53/598335153.db2.gz HZHRAUXQJYXWKK-UHFFFAOYSA-N -1 3 389.427 0.515 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(CC(=O)Nc1cccc(-c3nnn[n-]3)c1)C2 ZINC000736772554 598340939 /nfs/dbraw/zinc/34/09/39/598340939.db2.gz FIPZSCUROUYQQW-UHFFFAOYSA-N -1 3 379.428 0.720 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(CC(=O)Nc1cccc(-c3nn[n-]n3)c1)C2 ZINC000736772554 598340941 /nfs/dbraw/zinc/34/09/41/598340941.db2.gz FIPZSCUROUYQQW-UHFFFAOYSA-N -1 3 379.428 0.720 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCCN(c2cccnn2)CC1 ZINC000737896725 598341939 /nfs/dbraw/zinc/34/19/39/598341939.db2.gz XQFHLKKOTGAQMP-UHFFFAOYSA-N -1 3 379.428 0.808 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736284788 598344503 /nfs/dbraw/zinc/34/45/03/598344503.db2.gz GEBMXYZBCFBKTH-PBHICJAKSA-N -1 3 385.472 0.344 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000736145153 598349017 /nfs/dbraw/zinc/34/90/17/598349017.db2.gz BNSTZJPLZXVVKD-RHSMWYFYSA-N -1 3 388.472 0.795 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000736145153 598349020 /nfs/dbraw/zinc/34/90/20/598349020.db2.gz BNSTZJPLZXVVKD-RHSMWYFYSA-N -1 3 388.472 0.795 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000735563322 598352411 /nfs/dbraw/zinc/35/24/11/598352411.db2.gz SVZYIIMPHXYDLB-KBPBESRZSA-N -1 3 382.428 0.791 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000735563322 598352414 /nfs/dbraw/zinc/35/24/14/598352414.db2.gz SVZYIIMPHXYDLB-KBPBESRZSA-N -1 3 382.428 0.791 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1Cn1cccn1 ZINC000738040105 598352561 /nfs/dbraw/zinc/35/25/61/598352561.db2.gz SQSUCJACURMEQP-HNNXBMFYSA-N -1 3 380.412 0.484 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1Cn1cccn1 ZINC000738040105 598352563 /nfs/dbraw/zinc/35/25/63/598352563.db2.gz SQSUCJACURMEQP-HNNXBMFYSA-N -1 3 380.412 0.484 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000735563326 598352736 /nfs/dbraw/zinc/35/27/36/598352736.db2.gz SVZYIIMPHXYDLB-UONOGXRCSA-N -1 3 382.428 0.791 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000735563326 598352738 /nfs/dbraw/zinc/35/27/38/598352738.db2.gz SVZYIIMPHXYDLB-UONOGXRCSA-N -1 3 382.428 0.791 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736509744 598355451 /nfs/dbraw/zinc/35/54/51/598355451.db2.gz LAONVHJJSLSAII-LBPRGKRZSA-N -1 3 382.471 0.409 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736509744 598355453 /nfs/dbraw/zinc/35/54/53/598355453.db2.gz LAONVHJJSLSAII-LBPRGKRZSA-N -1 3 382.471 0.409 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736510574 598355671 /nfs/dbraw/zinc/35/56/71/598355671.db2.gz YSEURIXGSFFIDU-LLVKDONJSA-N -1 3 382.471 0.409 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 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CC(=O)NC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735476278 598365678 /nfs/dbraw/zinc/36/56/78/598365678.db2.gz SRWCXWBOMFEDLY-UHFFFAOYSA-N -1 3 399.455 0.959 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735476278 598365679 /nfs/dbraw/zinc/36/56/79/598365679.db2.gz SRWCXWBOMFEDLY-UHFFFAOYSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)C[C@]1(C)NC(=O)N(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735796253 598365734 /nfs/dbraw/zinc/36/57/34/598365734.db2.gz YBEYDCLBAQDRGE-UGSOOPFHSA-N -1 3 388.428 0.963 20 0 GCADHM CC(C)C[C@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735796250 598365786 /nfs/dbraw/zinc/36/57/86/598365786.db2.gz YBEYDCLBAQDRGE-ACJLOTCBSA-N -1 3 388.428 0.963 20 0 GCADHM Cc1cnn(C[C@H]2CN(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737444124 598367807 /nfs/dbraw/zinc/36/78/07/598367807.db2.gz MHELCUJQBWSYRR-QGZVFWFLSA-N -1 3 396.455 0.389 20 0 GCADHM Cc1cnn(C[C@H]2CN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737444124 598367809 /nfs/dbraw/zinc/36/78/09/598367809.db2.gz MHELCUJQBWSYRR-QGZVFWFLSA-N -1 3 396.455 0.389 20 0 GCADHM O=C(CCN1CCO[C@H](Cn2cncn2)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737843592 598368729 /nfs/dbraw/zinc/36/87/29/598368729.db2.gz LDFOTXZLZVWQPE-ZDUSSCGKSA-N -1 3 383.416 0.188 20 0 GCADHM O=C(CCN1CCO[C@H](Cn2cncn2)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737843592 598368731 /nfs/dbraw/zinc/36/87/31/598368731.db2.gz LDFOTXZLZVWQPE-ZDUSSCGKSA-N -1 3 383.416 0.188 20 0 GCADHM Cn1ccnc1CN1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737616871 598369868 /nfs/dbraw/zinc/36/98/68/598369868.db2.gz WIOGWUWKJNBIAR-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM Cn1ccnc1CN1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737616871 598369870 /nfs/dbraw/zinc/36/98/70/598369870.db2.gz WIOGWUWKJNBIAR-UHFFFAOYSA-N -1 3 388.457 0.107 20 0 GCADHM CNC(=O)C1(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC1 ZINC000736869796 598371150 /nfs/dbraw/zinc/37/11/50/598371150.db2.gz FTKWIZUAWYSONC-ZDUSSCGKSA-N -1 3 384.396 0.432 20 0 GCADHM CNC(=O)C1(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC1 ZINC000736869796 598371151 /nfs/dbraw/zinc/37/11/51/598371151.db2.gz FTKWIZUAWYSONC-ZDUSSCGKSA-N -1 3 384.396 0.432 20 0 GCADHM Cc1nn(-c2ccccc2)c(COC(=O)C2CC(=O)NC(=O)C2)c1-c1nnn[n-]1 ZINC000737504447 598371226 /nfs/dbraw/zinc/37/12/26/598371226.db2.gz YVFRCPGDRQMQMU-UHFFFAOYSA-N -1 3 395.379 0.457 20 0 GCADHM CNC(=O)C1(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736870361 598371513 /nfs/dbraw/zinc/37/15/13/598371513.db2.gz JACATZCVWQYXIU-UHFFFAOYSA-N -1 3 378.776 0.528 20 0 GCADHM CNC(=O)C1(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000736870361 598371515 /nfs/dbraw/zinc/37/15/15/598371515.db2.gz JACATZCVWQYXIU-UHFFFAOYSA-N -1 3 378.776 0.528 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@@H]1CCCOC1 ZINC000738138969 598374836 /nfs/dbraw/zinc/37/48/36/598374836.db2.gz JKSUUYBZFBUWLB-SECBINFHSA-N -1 3 382.327 0.702 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@@H]1CCCOC1 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VXMCSGNCRQMIRE-UHFFFAOYSA-N -1 3 385.350 0.758 20 0 GCADHM NC(=O)CNC(=O)c1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737754484 598383318 /nfs/dbraw/zinc/38/33/18/598383318.db2.gz WHAKHJHNWUTCFO-UHFFFAOYSA-N -1 3 394.395 0.132 20 0 GCADHM CC[C@H](C)NC(=O)CN1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000736325461 598387560 /nfs/dbraw/zinc/38/75/60/598387560.db2.gz JVZCJQYMAFSVRD-NSHDSACASA-N -1 3 378.868 0.952 20 0 GCADHM CC[C@H](C)NC(=O)CN1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000736325461 598387562 /nfs/dbraw/zinc/38/75/62/598387562.db2.gz JVZCJQYMAFSVRD-NSHDSACASA-N -1 3 378.868 0.952 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000735883458 598387886 /nfs/dbraw/zinc/38/78/86/598387886.db2.gz YNFFSASUPDFYLG-UHFFFAOYSA-N -1 3 378.824 0.088 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000735883458 598387888 /nfs/dbraw/zinc/38/78/88/598387888.db2.gz YNFFSASUPDFYLG-UHFFFAOYSA-N -1 3 378.824 0.088 20 0 GCADHM CC[C@@H](C)NC(=O)CN1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000736325458 598387917 /nfs/dbraw/zinc/38/79/17/598387917.db2.gz JVZCJQYMAFSVRD-LLVKDONJSA-N -1 3 378.868 0.952 20 0 GCADHM CC[C@@H](C)NC(=O)CN1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000736325458 598387918 /nfs/dbraw/zinc/38/79/18/598387918.db2.gz JVZCJQYMAFSVRD-LLVKDONJSA-N -1 3 378.868 0.952 20 0 GCADHM Cn1ncc2c1ncnc2N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000737629554 598388657 /nfs/dbraw/zinc/38/86/57/598388657.db2.gz XQJABZNLOSDDED-UHFFFAOYSA-N -1 3 397.834 0.918 20 0 GCADHM Cn1ncc2c1ncnc2N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737629554 598388658 /nfs/dbraw/zinc/38/86/58/598388658.db2.gz XQJABZNLOSDDED-UHFFFAOYSA-N -1 3 397.834 0.918 20 0 GCADHM O=C(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(F)cc1 ZINC000737784571 598389917 /nfs/dbraw/zinc/38/99/17/598389917.db2.gz VZIQZVBHHPXKBK-UHFFFAOYSA-N -1 3 381.371 0.932 20 0 GCADHM O=C(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc(F)cc1 ZINC000737784571 598389918 /nfs/dbraw/zinc/38/99/18/598389918.db2.gz VZIQZVBHHPXKBK-UHFFFAOYSA-N -1 3 381.371 0.932 20 0 GCADHM C[C@H]1C(=O)NCCN1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736228654 598391007 /nfs/dbraw/zinc/39/10/07/598391007.db2.gz IHMDZGDXGBZRHX-NSHDSACASA-N -1 3 375.458 0.630 20 0 GCADHM C[C@H]1C(=O)NCCN1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736228654 598391008 /nfs/dbraw/zinc/39/10/08/598391008.db2.gz IHMDZGDXGBZRHX-NSHDSACASA-N -1 3 375.458 0.630 20 0 GCADHM NC(=O)CNC(=O)c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737753126 598391098 /nfs/dbraw/zinc/39/10/98/598391098.db2.gz MGUXGJIIBLOREX-UHFFFAOYSA-N -1 3 386.803 0.742 20 0 GCADHM NC(=O)CNC(=O)c1ccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000737753126 598391100 /nfs/dbraw/zinc/39/11/00/598391100.db2.gz MGUXGJIIBLOREX-UHFFFAOYSA-N -1 3 386.803 0.742 20 0 GCADHM COC(=O)C1CCC(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736911889 598391518 /nfs/dbraw/zinc/39/15/18/598391518.db2.gz YFJGSHPMUPZEAP-UHFFFAOYSA-N -1 3 388.432 0.705 20 0 GCADHM COC(=O)C1CCC(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736911889 598391519 /nfs/dbraw/zinc/39/15/19/598391519.db2.gz YFJGSHPMUPZEAP-UHFFFAOYSA-N -1 3 388.432 0.705 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2ccccn21 ZINC000736107338 598399393 /nfs/dbraw/zinc/39/93/93/598399393.db2.gz YHHYAXSOZHXPGH-LLVKDONJSA-N -1 3 391.395 0.517 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2ccccn21 ZINC000736107338 598399395 /nfs/dbraw/zinc/39/93/95/598399395.db2.gz YHHYAXSOZHXPGH-LLVKDONJSA-N -1 3 391.395 0.517 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc2c(c1)NC(=O)CO2 ZINC000737889195 598400485 /nfs/dbraw/zinc/40/04/85/598400485.db2.gz KRCIGYSIOXVCKM-UHFFFAOYSA-N -1 3 393.363 0.566 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(c1)NC(=O)CO2 ZINC000737889195 598400486 /nfs/dbraw/zinc/40/04/86/598400486.db2.gz KRCIGYSIOXVCKM-UHFFFAOYSA-N -1 3 393.363 0.566 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccco2)CC1 ZINC000738039535 598400776 /nfs/dbraw/zinc/40/07/76/598400776.db2.gz QCZGWOXONIBEDB-UHFFFAOYSA-N -1 3 395.423 0.534 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccco2)CC1 ZINC000738039535 598400778 /nfs/dbraw/zinc/40/07/78/598400778.db2.gz QCZGWOXONIBEDB-UHFFFAOYSA-N -1 3 395.423 0.534 20 0 GCADHM NC(=O)Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737759563 598401985 /nfs/dbraw/zinc/40/19/85/598401985.db2.gz VAUHXLKNYRLGHU-UHFFFAOYSA-N -1 3 379.380 0.263 20 0 GCADHM NC(=O)Cc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737759563 598401987 /nfs/dbraw/zinc/40/19/87/598401987.db2.gz VAUHXLKNYRLGHU-UHFFFAOYSA-N -1 3 379.380 0.263 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](O)COc1ccccc1 ZINC000737888807 598402281 /nfs/dbraw/zinc/40/22/81/598402281.db2.gz GAJHVDSZVLSUMG-HNNXBMFYSA-N -1 3 396.407 0.153 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)COc1ccccc1 ZINC000737888807 598402282 /nfs/dbraw/zinc/40/22/82/598402282.db2.gz GAJHVDSZVLSUMG-HNNXBMFYSA-N -1 3 396.407 0.153 20 0 GCADHM CCCOC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736487046 598403010 /nfs/dbraw/zinc/40/30/10/598403010.db2.gz CXSZIECHUILSAZ-UHFFFAOYSA-N -1 3 384.400 0.708 20 0 GCADHM CCCOC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736487046 598403012 /nfs/dbraw/zinc/40/30/12/598403012.db2.gz CXSZIECHUILSAZ-UHFFFAOYSA-N -1 3 384.400 0.708 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735458510 598404002 /nfs/dbraw/zinc/40/40/02/598404002.db2.gz OTAZVVKPSKJWSL-UHFFFAOYSA-N -1 3 385.428 0.066 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735458510 598404003 /nfs/dbraw/zinc/40/40/03/598404003.db2.gz OTAZVVKPSKJWSL-UHFFFAOYSA-N -1 3 385.428 0.066 20 0 GCADHM Cc1noc([C@H]2CCCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000737535200 598405112 /nfs/dbraw/zinc/40/51/12/598405112.db2.gz QHOPJMWPLHEQBL-AWEZNQCLSA-N -1 3 396.411 0.694 20 0 GCADHM Cc1noc([C@H]2CCCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737535200 598405114 /nfs/dbraw/zinc/40/51/14/598405114.db2.gz QHOPJMWPLHEQBL-AWEZNQCLSA-N -1 3 396.411 0.694 20 0 GCADHM CCc1nc(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000736698514 598406161 /nfs/dbraw/zinc/40/61/61/598406161.db2.gz GBLJTKQKAGXFEJ-UHFFFAOYSA-N -1 3 385.453 0.974 20 0 GCADHM CCc1nc(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000736698514 598406162 /nfs/dbraw/zinc/40/61/62/598406162.db2.gz GBLJTKQKAGXFEJ-UHFFFAOYSA-N -1 3 385.453 0.974 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCCOC(=O)c1ccccc1 ZINC000737891217 598410597 /nfs/dbraw/zinc/41/05/97/598410597.db2.gz IUQLVWBDIDYJRT-UHFFFAOYSA-N -1 3 395.375 0.997 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCCOC(=O)c1ccccc1 ZINC000737891217 598410598 /nfs/dbraw/zinc/41/05/98/598410598.db2.gz IUQLVWBDIDYJRT-UHFFFAOYSA-N -1 3 395.375 0.997 20 0 GCADHM COC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000736947047 598411102 /nfs/dbraw/zinc/41/11/02/598411102.db2.gz BLJJQVSCLBCNIL-UHFFFAOYSA-N -1 3 385.336 0.720 20 0 GCADHM COC(=O)c1ccc(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000736947047 598411106 /nfs/dbraw/zinc/41/11/06/598411106.db2.gz BLJJQVSCLBCNIL-UHFFFAOYSA-N -1 3 385.336 0.720 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(CCO)CC1 ZINC000736636261 598412905 /nfs/dbraw/zinc/41/29/05/598412905.db2.gz QBVSIBWTWWKADC-UHFFFAOYSA-N -1 3 388.428 0.825 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(CCO)CC1 ZINC000736636261 598412907 /nfs/dbraw/zinc/41/29/07/598412907.db2.gz QBVSIBWTWWKADC-UHFFFAOYSA-N -1 3 388.428 0.825 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000737896280 598416241 /nfs/dbraw/zinc/41/62/41/598416241.db2.gz VTSBUBBDUXKUSY-UHFFFAOYSA-N -1 3 384.400 0.565 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1c[nH]nc1-c1cccnc1 ZINC000738079233 598417245 /nfs/dbraw/zinc/41/72/45/598417245.db2.gz YDLGGVYJQMJHHQ-UHFFFAOYSA-N -1 3 376.384 0.889 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1c[nH]nc1-c1cccnc1 ZINC000738079233 598417247 /nfs/dbraw/zinc/41/72/47/598417247.db2.gz YDLGGVYJQMJHHQ-UHFFFAOYSA-N -1 3 376.384 0.889 20 0 GCADHM NC(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737751903 598420241 /nfs/dbraw/zinc/42/02/41/598420241.db2.gz AZOGFVHKLCGZJS-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM NC(=O)COc1ccc(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737751903 598420242 /nfs/dbraw/zinc/42/02/42/598420242.db2.gz AZOGFVHKLCGZJS-UHFFFAOYSA-N -1 3 396.363 0.526 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000736182872 598422548 /nfs/dbraw/zinc/42/25/48/598422548.db2.gz GYSPMXWEICVMHG-LBPRGKRZSA-N -1 3 391.395 0.926 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1nnnn1-c1ccccc1 ZINC000736182872 598422550 /nfs/dbraw/zinc/42/25/50/598422550.db2.gz GYSPMXWEICVMHG-LBPRGKRZSA-N -1 3 391.395 0.926 20 0 GCADHM Cc1noc(C)c1CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737535860 598430176 /nfs/dbraw/zinc/43/01/76/598430176.db2.gz CTTYSKHZWCBYBA-UHFFFAOYSA-N -1 3 397.443 0.941 20 0 GCADHM Cc1noc(C)c1CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737535860 598430178 /nfs/dbraw/zinc/43/01/78/598430178.db2.gz CTTYSKHZWCBYBA-UHFFFAOYSA-N -1 3 397.443 0.941 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000738117436 598431105 /nfs/dbraw/zinc/43/11/05/598431105.db2.gz SPCQGYMSLFRKKR-UHFFFAOYSA-N -1 3 376.384 0.842 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000738117436 598431107 /nfs/dbraw/zinc/43/11/07/598431107.db2.gz SPCQGYMSLFRKKR-UHFFFAOYSA-N -1 3 376.384 0.842 20 0 GCADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)CC2 ZINC000737489525 598431472 /nfs/dbraw/zinc/43/14/72/598431472.db2.gz JKZMZBOJKLXZDY-GFCCVEGCSA-N -1 3 381.400 0.145 20 0 GCADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)CC2 ZINC000737489525 598431474 /nfs/dbraw/zinc/43/14/74/598431474.db2.gz JKZMZBOJKLXZDY-GFCCVEGCSA-N -1 3 381.400 0.145 20 0 GCADHM Cc1noc(CNC(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC000737547304 598432337 /nfs/dbraw/zinc/43/23/37/598432337.db2.gz SUFGLFDWHUTTMU-UHFFFAOYSA-N -1 3 387.379 0.729 20 0 GCADHM Cc1noc(CNC(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC000737547304 598432339 /nfs/dbraw/zinc/43/23/39/598432339.db2.gz SUFGLFDWHUTTMU-UHFFFAOYSA-N -1 3 387.379 0.729 20 0 GCADHM COCCN(CCOC)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736995186 598432519 /nfs/dbraw/zinc/43/25/19/598432519.db2.gz OQGPFHWFUJWFTP-UHFFFAOYSA-N -1 3 386.416 0.370 20 0 GCADHM COCCN(CCOC)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736995186 598432520 /nfs/dbraw/zinc/43/25/20/598432520.db2.gz OQGPFHWFUJWFTP-UHFFFAOYSA-N -1 3 386.416 0.370 20 0 GCADHM COCCOCCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737006471 598432759 /nfs/dbraw/zinc/43/27/59/598432759.db2.gz QFBTWGZJFAVPGI-UHFFFAOYSA-N -1 3 386.416 0.418 20 0 GCADHM COCCOCCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737006471 598432761 /nfs/dbraw/zinc/43/27/61/598432761.db2.gz QFBTWGZJFAVPGI-UHFFFAOYSA-N -1 3 386.416 0.418 20 0 GCADHM CC(C)N1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000735881235 598433736 /nfs/dbraw/zinc/43/37/36/598433736.db2.gz HTOMMPRJIAJHQI-UHFFFAOYSA-N -1 3 381.444 0.801 20 0 GCADHM C[C@H](Cn1ccnc1)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736094975 598434162 /nfs/dbraw/zinc/43/41/62/598434162.db2.gz BXQCIMYBUSPWKQ-LLVKDONJSA-N -1 3 378.400 0.650 20 0 GCADHM C[C@H](Cn1ccnc1)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736094975 598434164 /nfs/dbraw/zinc/43/41/64/598434164.db2.gz BXQCIMYBUSPWKQ-LLVKDONJSA-N -1 3 378.400 0.650 20 0 GCADHM CCCN(CC(=O)N(C)C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736473003 598436360 /nfs/dbraw/zinc/43/63/60/598436360.db2.gz WEIYQTXZCQUMMM-UHFFFAOYSA-N -1 3 397.443 0.575 20 0 GCADHM CCCN(CC(=O)N(C)C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736473003 598436362 /nfs/dbraw/zinc/43/63/62/598436362.db2.gz WEIYQTXZCQUMMM-UHFFFAOYSA-N -1 3 397.443 0.575 20 0 GCADHM CCOC(=O)CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C1CC1 ZINC000736597037 598436377 /nfs/dbraw/zinc/43/63/77/598436377.db2.gz ZAWLYMUUVPKQBR-UHFFFAOYSA-N -1 3 396.411 0.802 20 0 GCADHM CCOC(=O)CN(C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C1CC1 ZINC000736597037 598436379 /nfs/dbraw/zinc/43/63/79/598436379.db2.gz ZAWLYMUUVPKQBR-UHFFFAOYSA-N -1 3 396.411 0.802 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000737776428 598436692 /nfs/dbraw/zinc/43/66/92/598436692.db2.gz MWQULIONLBXZBC-HNNXBMFYSA-N -1 3 393.455 0.945 20 0 GCADHM CC(C)(C)C(=O)NCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735588095 598437549 /nfs/dbraw/zinc/43/75/49/598437549.db2.gz AGOPZCYFUQHQRX-UHFFFAOYSA-N -1 3 397.443 0.527 20 0 GCADHM CC(C)(C)C(=O)NCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735588095 598437551 /nfs/dbraw/zinc/43/75/51/598437551.db2.gz AGOPZCYFUQHQRX-UHFFFAOYSA-N -1 3 397.443 0.527 20 0 GCADHM Cn1cnc2c1CCN(C(=O)c1ccc(-n3ncc(-c4nnn[n-]4)c3N)cc1)C2 ZINC000737618765 598438623 /nfs/dbraw/zinc/43/86/23/598438623.db2.gz MRVCATPRPCASLI-UHFFFAOYSA-N -1 3 390.411 0.567 20 0 GCADHM Cn1cnc2c1CCN(C(=O)c1ccc(-n3ncc(-c4nn[n-]n4)c3N)cc1)C2 ZINC000737618765 598438625 /nfs/dbraw/zinc/43/86/25/598438625.db2.gz MRVCATPRPCASLI-UHFFFAOYSA-N -1 3 390.411 0.567 20 0 GCADHM Cn1c(Cl)cnc1CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737592425 598438635 /nfs/dbraw/zinc/43/86/35/598438635.db2.gz OQHJUJQCTBUOAS-UHFFFAOYSA-N -1 3 398.818 0.952 20 0 GCADHM Cn1c(Cl)cnc1CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737592425 598438637 /nfs/dbraw/zinc/43/86/37/598438637.db2.gz OQHJUJQCTBUOAS-UHFFFAOYSA-N -1 3 398.818 0.952 20 0 GCADHM CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737025208 598439315 /nfs/dbraw/zinc/43/93/15/598439315.db2.gz XLAOWZPZDABKIR-UHFFFAOYSA-N -1 3 389.397 0.696 20 0 GCADHM CON(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737025208 598439317 /nfs/dbraw/zinc/43/93/17/598439317.db2.gz XLAOWZPZDABKIR-UHFFFAOYSA-N -1 3 389.397 0.696 20 0 GCADHM S=C(NC[C@@H]1CCCO1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738400518 598441730 /nfs/dbraw/zinc/44/17/30/598441730.db2.gz FTTLMPHLRISLEK-AWEZNQCLSA-N -1 3 388.501 0.874 20 0 GCADHM S=C(NC[C@@H]1CCCO1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738400518 598441731 /nfs/dbraw/zinc/44/17/31/598441731.db2.gz FTTLMPHLRISLEK-AWEZNQCLSA-N -1 3 388.501 0.874 20 0 GCADHM O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738191142 598442200 /nfs/dbraw/zinc/44/22/00/598442200.db2.gz RPWXOTFAGTYSHI-UHFFFAOYSA-N -1 3 379.380 0.986 20 0 GCADHM O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738191142 598442201 /nfs/dbraw/zinc/44/22/01/598442201.db2.gz RPWXOTFAGTYSHI-UHFFFAOYSA-N -1 3 379.380 0.986 20 0 GCADHM CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736497472 598443864 /nfs/dbraw/zinc/44/38/64/598443864.db2.gz IFPYDMOYBJMHKG-UHFFFAOYSA-N -1 3 379.446 0.196 20 0 GCADHM CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736497472 598443865 /nfs/dbraw/zinc/44/38/65/598443865.db2.gz IFPYDMOYBJMHKG-UHFFFAOYSA-N -1 3 379.446 0.196 20 0 GCADHM C[C@]1(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)NC(=O)NC1=O ZINC000736224272 598445101 /nfs/dbraw/zinc/44/51/01/598445101.db2.gz RNTSVNZZRHNDBQ-QGZVFWFLSA-N -1 3 378.352 0.569 20 0 GCADHM C[C@]1(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)NC(=O)NC1=O ZINC000736224272 598445102 /nfs/dbraw/zinc/44/51/02/598445102.db2.gz RNTSVNZZRHNDBQ-QGZVFWFLSA-N -1 3 378.352 0.569 20 0 GCADHM C[C@@]1(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)NC(=O)NC1=O ZINC000736224271 598445354 /nfs/dbraw/zinc/44/53/54/598445354.db2.gz RNTSVNZZRHNDBQ-KRWDZBQOSA-N -1 3 378.352 0.569 20 0 GCADHM C[C@@]1(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)NC(=O)NC1=O ZINC000736224271 598445356 /nfs/dbraw/zinc/44/53/56/598445356.db2.gz RNTSVNZZRHNDBQ-KRWDZBQOSA-N -1 3 378.352 0.569 20 0 GCADHM O=C(CCN1CCOC1=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737843691 598447519 /nfs/dbraw/zinc/44/75/19/598447519.db2.gz MMJMCFWMZSUNCB-UHFFFAOYSA-N -1 3 386.416 0.189 20 0 GCADHM O=C(CCN1CCOC1=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737843691 598447520 /nfs/dbraw/zinc/44/75/20/598447520.db2.gz MMJMCFWMZSUNCB-UHFFFAOYSA-N -1 3 386.416 0.189 20 0 GCADHM CCN1C[C@@H](C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1=O ZINC000736566315 598448091 /nfs/dbraw/zinc/44/80/91/598448091.db2.gz YSSCZCMMRQGZNC-ZDUSSCGKSA-N -1 3 384.444 0.215 20 0 GCADHM CCN1C[C@@H](C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1=O ZINC000736566315 598448092 /nfs/dbraw/zinc/44/80/92/598448092.db2.gz YSSCZCMMRQGZNC-ZDUSSCGKSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000735465413 598448186 /nfs/dbraw/zinc/44/81/86/598448186.db2.gz JVMWSTWUARXMFR-HNNXBMFYSA-N -1 3 398.471 0.605 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000735465413 598448187 /nfs/dbraw/zinc/44/81/87/598448187.db2.gz JVMWSTWUARXMFR-HNNXBMFYSA-N -1 3 398.471 0.605 20 0 GCADHM Cn1ccc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nnn[n-]2)n1 ZINC000737611804 598452543 /nfs/dbraw/zinc/45/25/43/598452543.db2.gz HXCFKGVQAFNTQI-UHFFFAOYSA-N -1 3 392.427 0.731 20 0 GCADHM Cn1ccc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nn[n-]n2)n1 ZINC000737611804 598452545 /nfs/dbraw/zinc/45/25/45/598452545.db2.gz HXCFKGVQAFNTQI-UHFFFAOYSA-N -1 3 392.427 0.731 20 0 GCADHM CCCC(=O)N1CSC[C@@H]1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736412824 598453091 /nfs/dbraw/zinc/45/30/91/598453091.db2.gz QPRDQAVLDRCUTD-GFCCVEGCSA-N -1 3 390.473 0.491 20 0 GCADHM CCCC(=O)N1CSC[C@@H]1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736412824 598453093 /nfs/dbraw/zinc/45/30/93/598453093.db2.gz QPRDQAVLDRCUTD-GFCCVEGCSA-N -1 3 390.473 0.491 20 0 GCADHM CN(C)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nnn[n-]1 ZINC000736764425 598453490 /nfs/dbraw/zinc/45/34/90/598453490.db2.gz QURRSEIQROVNON-UHFFFAOYSA-N -1 3 387.423 0.384 20 0 GCADHM Cn1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737613880 598454076 /nfs/dbraw/zinc/45/40/76/598454076.db2.gz SXSYKCFHXQPKNW-CYBMUJFWSA-N -1 3 384.425 0.754 20 0 GCADHM Cn1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737613880 598454078 /nfs/dbraw/zinc/45/40/78/598454078.db2.gz SXSYKCFHXQPKNW-CYBMUJFWSA-N -1 3 384.425 0.754 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000737789946 598454135 /nfs/dbraw/zinc/45/41/35/598454135.db2.gz DRNHEFAKLGFSMF-GFCCVEGCSA-N -1 3 391.482 0.352 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000737789946 598454137 /nfs/dbraw/zinc/45/41/37/598454137.db2.gz DRNHEFAKLGFSMF-GFCCVEGCSA-N -1 3 391.482 0.352 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000737760045 598456347 /nfs/dbraw/zinc/45/63/47/598456347.db2.gz NUWJAIQLVLGMNE-UHFFFAOYSA-N -1 3 392.423 0.759 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000737760045 598456348 /nfs/dbraw/zinc/45/63/48/598456348.db2.gz NUWJAIQLVLGMNE-UHFFFAOYSA-N -1 3 392.423 0.759 20 0 GCADHM O=C(CCCNC(=O)C1CC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737843069 598456655 /nfs/dbraw/zinc/45/66/55/598456655.db2.gz ZLHZYTOSCJGUKJ-UHFFFAOYSA-N -1 3 398.471 0.653 20 0 GCADHM O=C(CCCNC(=O)C1CC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737843069 598456657 /nfs/dbraw/zinc/45/66/57/598456657.db2.gz ZLHZYTOSCJGUKJ-UHFFFAOYSA-N -1 3 398.471 0.653 20 0 GCADHM O=C(CN1CCCCCC1=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737873250 598457057 /nfs/dbraw/zinc/45/70/57/598457057.db2.gz MLKWSPZVDPFHLO-UHFFFAOYSA-N -1 3 398.471 0.749 20 0 GCADHM O=C(CN1CCCCCC1=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737873250 598457058 /nfs/dbraw/zinc/45/70/58/598457058.db2.gz MLKWSPZVDPFHLO-UHFFFAOYSA-N -1 3 398.471 0.749 20 0 GCADHM NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000737759068 598459342 /nfs/dbraw/zinc/45/93/42/598459342.db2.gz GOSIFKIRRHHISK-UHFFFAOYSA-N -1 3 392.423 0.319 20 0 GCADHM NC(=O)c1ccc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000737759068 598459344 /nfs/dbraw/zinc/45/93/44/598459344.db2.gz GOSIFKIRRHHISK-UHFFFAOYSA-N -1 3 392.423 0.319 20 0 GCADHM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738075919 598459598 /nfs/dbraw/zinc/45/95/98/598459598.db2.gz NNPDPKCCUNWQBB-UHFFFAOYSA-N -1 3 386.437 0.997 20 0 GCADHM O=C(NCCCS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738075919 598459600 /nfs/dbraw/zinc/45/96/00/598459600.db2.gz NNPDPKCCUNWQBB-UHFFFAOYSA-N -1 3 386.437 0.997 20 0 GCADHM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000735964325 598463943 /nfs/dbraw/zinc/46/39/43/598463943.db2.gz YIQGBCQXFOUEPX-GFCCVEGCSA-N -1 3 392.489 0.359 20 0 GCADHM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000735964325 598463945 /nfs/dbraw/zinc/46/39/45/598463945.db2.gz YIQGBCQXFOUEPX-GFCCVEGCSA-N -1 3 392.489 0.359 20 0 GCADHM CCOc1ccnc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000736655260 598464612 /nfs/dbraw/zinc/46/46/12/598464612.db2.gz SONHIGKBDFFJFX-UHFFFAOYSA-N -1 3 381.400 0.413 20 0 GCADHM CCOc1ccnc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000736655260 598464614 /nfs/dbraw/zinc/46/46/14/598464614.db2.gz SONHIGKBDFFJFX-UHFFFAOYSA-N -1 3 381.400 0.413 20 0 GCADHM CCn1cc(S(=O)(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736722825 598464732 /nfs/dbraw/zinc/46/47/32/598464732.db2.gz OYKCJESCUFSYNU-UHFFFAOYSA-N -1 3 391.457 0.920 20 0 GCADHM CCn1cc(S(=O)(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736722825 598464734 /nfs/dbraw/zinc/46/47/34/598464734.db2.gz OYKCJESCUFSYNU-UHFFFAOYSA-N -1 3 391.457 0.920 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000738261189 598465340 /nfs/dbraw/zinc/46/53/40/598465340.db2.gz JXBSGRDXLCCMFX-QGZVFWFLSA-N -1 3 379.424 0.753 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000738261189 598465341 /nfs/dbraw/zinc/46/53/41/598465341.db2.gz JXBSGRDXLCCMFX-QGZVFWFLSA-N -1 3 379.424 0.753 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737746271 598468030 /nfs/dbraw/zinc/46/80/30/598468030.db2.gz QPDAOBADUIJGMA-KRWDZBQOSA-N -1 3 378.392 0.857 20 0 GCADHM Cn1nccc1CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737626414 598470120 /nfs/dbraw/zinc/47/01/20/598470120.db2.gz BXZZTXKOAZVHLW-UHFFFAOYSA-N -1 3 382.432 0.463 20 0 GCADHM Cn1nccc1CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737626414 598470122 /nfs/dbraw/zinc/47/01/22/598470122.db2.gz BXZZTXKOAZVHLW-UHFFFAOYSA-N -1 3 382.432 0.463 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737746987 598470627 /nfs/dbraw/zinc/47/06/27/598470627.db2.gz UZJVQLGJKTUSTF-SFHVURJKSA-N -1 3 391.435 0.568 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737746987 598470629 /nfs/dbraw/zinc/47/06/29/598470629.db2.gz UZJVQLGJKTUSTF-SFHVURJKSA-N -1 3 391.435 0.568 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@@H]1CCC[C@@H](O)C1 ZINC000738031306 598472128 /nfs/dbraw/zinc/47/21/28/598472128.db2.gz DNLUSFYDBMQWPS-HUUCEWRRSA-N -1 3 386.460 0.833 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@@H]1CCC[C@@H](O)C1 ZINC000738031306 598472129 /nfs/dbraw/zinc/47/21/29/598472129.db2.gz DNLUSFYDBMQWPS-HUUCEWRRSA-N -1 3 386.460 0.833 20 0 GCADHM O=C(COC(=O)c1sccc1-c1nnn[n-]1)Nc1nnc([C@H]2CCCO2)o1 ZINC000737915623 598473940 /nfs/dbraw/zinc/47/39/40/598473940.db2.gz KAKXJPMBEQPQRU-MRVPVSSYSA-N -1 3 391.369 0.958 20 0 GCADHM O=C(COC(=O)c1sccc1-c1nn[n-]n1)Nc1nnc([C@H]2CCCO2)o1 ZINC000737915623 598473941 /nfs/dbraw/zinc/47/39/41/598473941.db2.gz KAKXJPMBEQPQRU-MRVPVSSYSA-N -1 3 391.369 0.958 20 0 GCADHM COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736947927 598477381 /nfs/dbraw/zinc/47/73/81/598477381.db2.gz OPWJBPUWFYEESO-UHFFFAOYSA-N -1 3 382.336 0.844 20 0 GCADHM COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736947927 598477382 /nfs/dbraw/zinc/47/73/82/598477382.db2.gz OPWJBPUWFYEESO-UHFFFAOYSA-N -1 3 382.336 0.844 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)NC(=O)NCc1cccs1 ZINC000737908225 598480303 /nfs/dbraw/zinc/48/03/03/598480303.db2.gz JPJWKLZDNQBEDN-UHFFFAOYSA-N -1 3 387.381 0.506 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)NC(=O)NCc1cccs1 ZINC000737908225 598480304 /nfs/dbraw/zinc/48/03/04/598480304.db2.gz JPJWKLZDNQBEDN-UHFFFAOYSA-N -1 3 387.381 0.506 20 0 GCADHM O=CN1CCc2cc(C(=O)COC(=O)c3ccc(-c4nnn[n-]4)cn3)ccc21 ZINC000738313732 598480345 /nfs/dbraw/zinc/48/03/45/598480345.db2.gz LSHSMKBBNHDSGY-UHFFFAOYSA-N -1 3 378.348 0.820 20 0 GCADHM O=CN1CCc2cc(C(=O)COC(=O)c3ccc(-c4nn[n-]n4)cn3)ccc21 ZINC000738313732 598480346 /nfs/dbraw/zinc/48/03/46/598480346.db2.gz LSHSMKBBNHDSGY-UHFFFAOYSA-N -1 3 378.348 0.820 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCC[C@H](CO)C1 ZINC000738033195 598480414 /nfs/dbraw/zinc/48/04/14/598480414.db2.gz XCJCIWHZXMBGID-ZDUSSCGKSA-N -1 3 386.460 0.644 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCC[C@H](CO)C1 ZINC000738033195 598480415 /nfs/dbraw/zinc/48/04/15/598480415.db2.gz XCJCIWHZXMBGID-ZDUSSCGKSA-N -1 3 386.460 0.644 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC000736590803 598480940 /nfs/dbraw/zinc/48/09/40/598480940.db2.gz LCVVQHYHUWUUDX-LBPRGKRZSA-N -1 3 388.384 0.220 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC000736590803 598480941 /nfs/dbraw/zinc/48/09/41/598480941.db2.gz LCVVQHYHUWUUDX-LBPRGKRZSA-N -1 3 388.384 0.220 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000736159411 598481892 /nfs/dbraw/zinc/48/18/92/598481892.db2.gz MXLBPMWEBQDTBK-SSDOTTSWSA-N -1 3 380.328 0.112 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000736159411 598481894 /nfs/dbraw/zinc/48/18/94/598481894.db2.gz MXLBPMWEBQDTBK-SSDOTTSWSA-N -1 3 380.328 0.112 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)NC1CCC2(CC1)OCCO2 ZINC000737907616 598483328 /nfs/dbraw/zinc/48/33/28/598483328.db2.gz FOBIERKJQSTYTL-UHFFFAOYSA-N -1 3 388.384 0.220 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)NC1CCC2(CC1)OCCO2 ZINC000737907616 598483329 /nfs/dbraw/zinc/48/33/29/598483329.db2.gz FOBIERKJQSTYTL-UHFFFAOYSA-N -1 3 388.384 0.220 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cn1nc2ccccn2c1=O ZINC000735660540 598489244 /nfs/dbraw/zinc/48/92/44/598489244.db2.gz MMWBIJQABGJYBS-UHFFFAOYSA-N -1 3 381.400 0.871 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cn1nc2ccccn2c1=O ZINC000735660540 598489245 /nfs/dbraw/zinc/48/92/45/598489245.db2.gz MMWBIJQABGJYBS-UHFFFAOYSA-N -1 3 381.400 0.871 20 0 GCADHM C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736222768 598494682 /nfs/dbraw/zinc/49/46/82/598494682.db2.gz KBNUVEMQUZJJSY-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736222768 598494683 /nfs/dbraw/zinc/49/46/83/598494683.db2.gz KBNUVEMQUZJJSY-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NCCCN1C(=O)CNC1=O ZINC000737942393 598496759 /nfs/dbraw/zinc/49/67/59/598496759.db2.gz ZMUGZNRJRJECBV-UHFFFAOYSA-N -1 3 375.414 0.017 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NCCCN1C(=O)CNC1=O ZINC000737942393 598496760 /nfs/dbraw/zinc/49/67/60/598496760.db2.gz ZMUGZNRJRJECBV-UHFFFAOYSA-N -1 3 375.414 0.017 20 0 GCADHM O=C(CCc1nc(-c2ncccn2)no1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000369170075 598497643 /nfs/dbraw/zinc/49/76/43/598497643.db2.gz OKYXUFZBHOETCP-UHFFFAOYSA-N -1 3 377.368 0.956 20 0 GCADHM O=C(CCc1nc(-c2ncccn2)no1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000369170075 598497645 /nfs/dbraw/zinc/49/76/45/598497645.db2.gz OKYXUFZBHOETCP-UHFFFAOYSA-N -1 3 377.368 0.956 20 0 GCADHM CCS(=O)(=O)CCNC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736658726 598499953 /nfs/dbraw/zinc/49/99/53/598499953.db2.gz HWVJFVIAZIEBAM-UHFFFAOYSA-N -1 3 397.457 0.585 20 0 GCADHM CCS(=O)(=O)CCNC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736658726 598499955 /nfs/dbraw/zinc/49/99/55/598499955.db2.gz HWVJFVIAZIEBAM-UHFFFAOYSA-N -1 3 397.457 0.585 20 0 GCADHM O=C(CCN1CCCC1=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738301508 598500342 /nfs/dbraw/zinc/50/03/42/598500342.db2.gz AUSNPUKOOWBRHI-UHFFFAOYSA-N -1 3 383.456 0.523 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737741948 598506020 /nfs/dbraw/zinc/50/60/20/598506020.db2.gz DGNPJCIPIPYNFJ-ZDUSSCGKSA-N -1 3 384.421 0.720 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737741948 598506022 /nfs/dbraw/zinc/50/60/22/598506022.db2.gz DGNPJCIPIPYNFJ-ZDUSSCGKSA-N -1 3 384.421 0.720 20 0 GCADHM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736744944 598508423 /nfs/dbraw/zinc/50/84/23/598508423.db2.gz DHFMMZHNPHGFLY-LBPRGKRZSA-N -1 3 382.471 0.160 20 0 GCADHM CN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736744944 598508425 /nfs/dbraw/zinc/50/84/25/598508425.db2.gz DHFMMZHNPHGFLY-LBPRGKRZSA-N -1 3 382.471 0.160 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736480190 598508461 /nfs/dbraw/zinc/50/84/61/598508461.db2.gz IBWHJDKMPJKEGV-OAHLLOKOSA-N -1 3 392.485 0.935 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736480190 598508462 /nfs/dbraw/zinc/50/84/62/598508462.db2.gz IBWHJDKMPJKEGV-OAHLLOKOSA-N -1 3 392.485 0.935 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737742151 598508659 /nfs/dbraw/zinc/50/86/59/598508659.db2.gz FHUMPDRKSJWQJK-OAHLLOKOSA-N -1 3 398.448 0.861 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737742151 598508661 /nfs/dbraw/zinc/50/86/61/598508661.db2.gz FHUMPDRKSJWQJK-OAHLLOKOSA-N -1 3 398.448 0.861 20 0 GCADHM O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409544 607359319 /nfs/dbraw/zinc/35/93/19/607359319.db2.gz DYKPPNSTGYVOBX-UHFFFAOYSA-N -1 3 391.343 0.889 20 0 GCADHM O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409544 607359320 /nfs/dbraw/zinc/35/93/20/607359320.db2.gz DYKPPNSTGYVOBX-UHFFFAOYSA-N -1 3 391.343 0.889 20 0 GCADHM COC(=O)CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)CC(=O)OC ZINC000736923281 598509424 /nfs/dbraw/zinc/50/94/24/598509424.db2.gz PSCQESQDEUWWKA-UHFFFAOYSA-N -1 3 396.791 0.107 20 0 GCADHM COC(=O)CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)CC(=O)OC ZINC000736923281 598509426 /nfs/dbraw/zinc/50/94/26/598509426.db2.gz PSCQESQDEUWWKA-UHFFFAOYSA-N -1 3 396.791 0.107 20 0 GCADHM C[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)N1CCOCC1 ZINC000736132348 598510515 /nfs/dbraw/zinc/51/05/15/598510515.db2.gz VHQMUFVBIWEBGM-STQMWFEESA-N -1 3 380.474 0.395 20 0 GCADHM C[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)N1CCOCC1 ZINC000736132348 598510516 /nfs/dbraw/zinc/51/05/16/598510516.db2.gz VHQMUFVBIWEBGM-STQMWFEESA-N -1 3 380.474 0.395 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737742736 598510778 /nfs/dbraw/zinc/51/07/78/598510778.db2.gz GQAVCUCLKFXJHI-INIZCTEOSA-N -1 3 398.448 0.781 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737742736 598510779 /nfs/dbraw/zinc/51/07/79/598510779.db2.gz GQAVCUCLKFXJHI-INIZCTEOSA-N -1 3 398.448 0.781 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000736813401 598511039 /nfs/dbraw/zinc/51/10/39/598511039.db2.gz KARZAQXYOGYZNG-INIZCTEOSA-N -1 3 399.436 0.555 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000736813401 598511041 /nfs/dbraw/zinc/51/10/41/598511041.db2.gz KARZAQXYOGYZNG-INIZCTEOSA-N -1 3 399.436 0.555 20 0 GCADHM NC(=O)c1ccc(OCC(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000737762369 598511408 /nfs/dbraw/zinc/51/14/08/598511408.db2.gz ZEMXRWPFIHJWFD-UHFFFAOYSA-N -1 3 383.368 0.395 20 0 GCADHM NC(=O)c1ccc(OCC(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000737762369 598511410 /nfs/dbraw/zinc/51/14/10/598511410.db2.gz ZEMXRWPFIHJWFD-UHFFFAOYSA-N -1 3 383.368 0.395 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1ccc2c(c1)NC(=O)CO2 ZINC000738305971 598513097 /nfs/dbraw/zinc/51/30/97/598513097.db2.gz FILJRMKSMBUBIP-UHFFFAOYSA-N -1 3 381.352 0.862 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1ccc2c(c1)NC(=O)CO2 ZINC000738305971 598513099 /nfs/dbraw/zinc/51/30/99/598513099.db2.gz FILJRMKSMBUBIP-UHFFFAOYSA-N -1 3 381.352 0.862 20 0 GCADHM Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737513172 598529206 /nfs/dbraw/zinc/52/92/06/598529206.db2.gz HZSCGTPQNSTAMX-GFCCVEGCSA-N -1 3 396.459 0.896 20 0 GCADHM Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737513172 598529207 /nfs/dbraw/zinc/52/92/07/598529207.db2.gz HZSCGTPQNSTAMX-GFCCVEGCSA-N -1 3 396.459 0.896 20 0 GCADHM c1nn(Cc2ccccn2)cc1NC[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738432931 598530537 /nfs/dbraw/zinc/53/05/37/598530537.db2.gz NVVCIIOVIQRLPK-LBPRGKRZSA-N -1 3 377.416 0.857 20 0 GCADHM c1nn(Cc2ccccn2)cc1NC[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738432931 598530538 /nfs/dbraw/zinc/53/05/38/598530538.db2.gz NVVCIIOVIQRLPK-LBPRGKRZSA-N -1 3 377.416 0.857 20 0 GCADHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)NCC2CCC2)C1=O ZINC000736222162 598531398 /nfs/dbraw/zinc/53/13/98/598531398.db2.gz FAAIJKGOGNGWFN-SFHVURJKSA-N -1 3 383.412 0.550 20 0 GCADHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)NCC2CCC2)C1=O ZINC000736222162 598531400 /nfs/dbraw/zinc/53/14/00/598531400.db2.gz FAAIJKGOGNGWFN-SFHVURJKSA-N -1 3 383.412 0.550 20 0 GCADHM CC(C)C(=O)N1CCCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735684663 598532756 /nfs/dbraw/zinc/53/27/56/598532756.db2.gz RYTKMNYTRIVLGQ-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM CC(C)C(=O)N1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735684663 598532758 /nfs/dbraw/zinc/53/27/58/598532758.db2.gz RYTKMNYTRIVLGQ-UHFFFAOYSA-N -1 3 385.472 0.673 20 0 GCADHM CCS(=O)(=O)CCNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736659185 598534468 /nfs/dbraw/zinc/53/44/68/598534468.db2.gz PNVLEHGFZJJIDH-UHFFFAOYSA-N -1 3 398.514 0.834 20 0 GCADHM CCS(=O)(=O)CCNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736659185 598534470 /nfs/dbraw/zinc/53/44/70/598534470.db2.gz PNVLEHGFZJJIDH-UHFFFAOYSA-N -1 3 398.514 0.834 20 0 GCADHM CCS(=O)(=O)CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736659111 598534625 /nfs/dbraw/zinc/53/46/25/598534625.db2.gz NPWJFZYRYDIZHH-UHFFFAOYSA-N -1 3 378.458 0.975 20 0 GCADHM CCS(=O)(=O)CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736659111 598534627 /nfs/dbraw/zinc/53/46/27/598534627.db2.gz NPWJFZYRYDIZHH-UHFFFAOYSA-N -1 3 378.458 0.975 20 0 GCADHM CS(=O)(=O)CCNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737162483 598534930 /nfs/dbraw/zinc/53/49/30/598534930.db2.gz KZJKQZMZCCPDKJ-UHFFFAOYSA-N -1 3 393.473 0.133 20 0 GCADHM CS(=O)(=O)CCNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737162483 598534931 /nfs/dbraw/zinc/53/49/31/598534931.db2.gz KZJKQZMZCCPDKJ-UHFFFAOYSA-N -1 3 393.473 0.133 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000738079241 598535148 /nfs/dbraw/zinc/53/51/48/598535148.db2.gz YGLVCFCIVAQOLH-GFCCVEGCSA-N -1 3 382.432 0.986 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000738079241 598535149 /nfs/dbraw/zinc/53/51/49/598535149.db2.gz YGLVCFCIVAQOLH-GFCCVEGCSA-N -1 3 382.432 0.986 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)C1CCCCC1 ZINC000737058766 598536376 /nfs/dbraw/zinc/53/63/76/598536376.db2.gz NXSFKXXPOVFFIK-AWEZNQCLSA-N -1 3 388.428 0.871 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)C1CCCCC1 ZINC000737058766 598536378 /nfs/dbraw/zinc/53/63/78/598536378.db2.gz NXSFKXXPOVFFIK-AWEZNQCLSA-N -1 3 388.428 0.871 20 0 GCADHM CC(C)C(=O)N1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735683874 598539593 /nfs/dbraw/zinc/53/95/93/598539593.db2.gz GRTVJDJIEZEJOB-UHFFFAOYSA-N -1 3 392.485 0.887 20 0 GCADHM CC(C)C(=O)N1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735683874 598539595 /nfs/dbraw/zinc/53/95/95/598539595.db2.gz GRTVJDJIEZEJOB-UHFFFAOYSA-N -1 3 392.485 0.887 20 0 GCADHM Cc1oc(NC(=O)COC(=O)CCCS(C)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000737551609 598542374 /nfs/dbraw/zinc/54/23/74/598542374.db2.gz JLPOVATXLVIXTH-UHFFFAOYSA-N -1 3 385.402 0.383 20 0 GCADHM NC(=O)C1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737741539 598542854 /nfs/dbraw/zinc/54/28/54/598542854.db2.gz YLPNBKAMNZUWHB-LDZOIKDWSA-N -1 3 383.456 0.996 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736451272 598547877 /nfs/dbraw/zinc/54/78/77/598547877.db2.gz IPDSUANKOOYPRW-UHFFFAOYSA-N -1 3 381.462 0.395 20 0 GCADHM CO[C@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C1 ZINC000736962594 598551394 /nfs/dbraw/zinc/55/13/94/598551394.db2.gz PLYBZDCIERIQGW-KBXCAEBGSA-N -1 3 385.428 0.702 20 0 GCADHM CO[C@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736962594 598551396 /nfs/dbraw/zinc/55/13/96/598551396.db2.gz PLYBZDCIERIQGW-KBXCAEBGSA-N -1 3 385.428 0.702 20 0 GCADHM CO[C@@H]1CCCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736962747 598551479 /nfs/dbraw/zinc/55/14/79/598551479.db2.gz RCXXGNQGKOGYBE-OAHLLOKOSA-N -1 3 385.428 0.699 20 0 GCADHM CN(CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)CCS(C)(=O)=O ZINC000736793291 598552472 /nfs/dbraw/zinc/55/24/72/598552472.db2.gz WCYGKKARMMYFLI-UHFFFAOYSA-N -1 3 386.865 0.825 20 0 GCADHM CN(CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)CCS(C)(=O)=O ZINC000736793291 598552473 /nfs/dbraw/zinc/55/24/73/598552473.db2.gz WCYGKKARMMYFLI-UHFFFAOYSA-N -1 3 386.865 0.825 20 0 GCADHM CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736804237 598554375 /nfs/dbraw/zinc/55/43/75/598554375.db2.gz JWKLRMKXCYLRRF-UHFFFAOYSA-N -1 3 379.851 0.185 20 0 GCADHM CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736804237 598554376 /nfs/dbraw/zinc/55/43/76/598554376.db2.gz JWKLRMKXCYLRRF-UHFFFAOYSA-N -1 3 379.851 0.185 20 0 GCADHM CC1CCC(NS(=O)(=O)CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736239574 598555308 /nfs/dbraw/zinc/55/53/08/598555308.db2.gz HAIQPHDYJHTNMH-UHFFFAOYSA-N -1 3 392.485 0.981 20 0 GCADHM CC1CCC(NS(=O)(=O)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736239574 598555310 /nfs/dbraw/zinc/55/53/10/598555310.db2.gz HAIQPHDYJHTNMH-UHFFFAOYSA-N -1 3 392.485 0.981 20 0 GCADHM O=C(COC(=O)COc1ccc(-c2nn[n-]n2)cc1)NCC(=O)c1ccccc1 ZINC000737904853 598558012 /nfs/dbraw/zinc/55/80/12/598558012.db2.gz QIIIXSQEZYUPPL-UHFFFAOYSA-N -1 3 395.375 0.788 20 0 GCADHM CN(CCS(C)(=O)=O)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736804386 598561939 /nfs/dbraw/zinc/56/19/39/598561939.db2.gz MEAIXRLGDZGBSB-UHFFFAOYSA-N -1 3 398.514 0.786 20 0 GCADHM CN(CCS(C)(=O)=O)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736804386 598561940 /nfs/dbraw/zinc/56/19/40/598561940.db2.gz MEAIXRLGDZGBSB-UHFFFAOYSA-N -1 3 398.514 0.786 20 0 GCADHM CN(CCS(C)(=O)=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736803911 598562162 /nfs/dbraw/zinc/56/21/62/598562162.db2.gz FQRGBDPMPKHYJN-UHFFFAOYSA-N -1 3 390.372 0.976 20 0 GCADHM CN(CCS(C)(=O)=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736803911 598562164 /nfs/dbraw/zinc/56/21/64/598562164.db2.gz FQRGBDPMPKHYJN-UHFFFAOYSA-N -1 3 390.372 0.976 20 0 GCADHM CCN1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CC1 ZINC000736568958 598563645 /nfs/dbraw/zinc/56/36/45/598563645.db2.gz GOONCMRUJQXLKE-UHFFFAOYSA-N -1 3 395.370 0.571 20 0 GCADHM COCCOc1ncccc1NC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737015348 598564115 /nfs/dbraw/zinc/56/41/15/598564115.db2.gz WOTBGYOISYLQBA-UHFFFAOYSA-N -1 3 397.395 0.542 20 0 GCADHM COCCOc1ncccc1NC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737015348 598564117 /nfs/dbraw/zinc/56/41/17/598564117.db2.gz WOTBGYOISYLQBA-UHFFFAOYSA-N -1 3 397.395 0.542 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N(CCO)C1CC1 ZINC000738138581 598564250 /nfs/dbraw/zinc/56/42/50/598564250.db2.gz GEXNOWIWCWTIRK-UHFFFAOYSA-N -1 3 382.327 0.390 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N(CCO)C1CC1 ZINC000738138581 598564251 /nfs/dbraw/zinc/56/42/51/598564251.db2.gz GEXNOWIWCWTIRK-UHFFFAOYSA-N -1 3 382.327 0.390 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCCC1N=NC(=S)N1C1CC1 ZINC000737896221 598567468 /nfs/dbraw/zinc/56/74/68/598567468.db2.gz UGHWSKNAOVTLLY-UHFFFAOYSA-N -1 3 385.457 0.853 20 0 GCADHM CN1C(=S)N=NC1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737597526 598567479 /nfs/dbraw/zinc/56/74/79/598567479.db2.gz RVOYAYZPTKISMA-ZDUSSCGKSA-N -1 3 399.484 0.612 20 0 GCADHM C[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736101070 598569179 /nfs/dbraw/zinc/56/91/79/598569179.db2.gz ONRDHRXYTCKIPZ-QHIGXMINSA-N -1 3 383.412 0.812 20 0 GCADHM C[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736101070 598569181 /nfs/dbraw/zinc/56/91/81/598569181.db2.gz ONRDHRXYTCKIPZ-QHIGXMINSA-N -1 3 383.412 0.812 20 0 GCADHM CNC(=O)C1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736870149 598575802 /nfs/dbraw/zinc/57/58/02/598575802.db2.gz FJFOWPRNLXWSPL-MRXNPFEDSA-N -1 3 383.456 0.820 20 0 GCADHM NC(=O)Cc1csc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737758200 598576223 /nfs/dbraw/zinc/57/62/23/598576223.db2.gz HPLFWBMXTFKMKG-CYBMUJFWSA-N -1 3 398.452 0.959 20 0 GCADHM O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738037455 598576558 /nfs/dbraw/zinc/57/65/58/598576558.db2.gz VQKWWRXEVUBVHT-TZMCWYRMSA-N -1 3 376.442 0.139 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000738085342 598579271 /nfs/dbraw/zinc/57/92/71/598579271.db2.gz FFMXWXDVJPTJSK-GFCCVEGCSA-N -1 3 381.483 0.651 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000738085342 598579273 /nfs/dbraw/zinc/57/92/73/598579273.db2.gz FFMXWXDVJPTJSK-GFCCVEGCSA-N -1 3 381.483 0.651 20 0 GCADHM O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826423566 607361784 /nfs/dbraw/zinc/36/17/84/607361784.db2.gz VMPJUZUIKFIRTA-UHFFFAOYSA-N -1 3 379.376 0.952 20 0 GCADHM O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826423566 607361786 /nfs/dbraw/zinc/36/17/86/607361786.db2.gz VMPJUZUIKFIRTA-UHFFFAOYSA-N -1 3 379.376 0.952 20 0 GCADHM O=C(CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000738055335 598581320 /nfs/dbraw/zinc/58/13/20/598581320.db2.gz LGLWPLFKLMEVBY-INIZCTEOSA-N -1 3 399.455 0.201 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)C1 ZINC000738358772 598581617 /nfs/dbraw/zinc/58/16/17/598581617.db2.gz XCXCFQDGRFAVBF-ZDUSSCGKSA-N -1 3 399.480 0.724 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)C1 ZINC000738358772 598581619 /nfs/dbraw/zinc/58/16/19/598581619.db2.gz XCXCFQDGRFAVBF-ZDUSSCGKSA-N -1 3 399.480 0.724 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCS(=O)(=O)CC1 ZINC000735905537 598582817 /nfs/dbraw/zinc/58/28/17/598582817.db2.gz KFXQDGQQOYMDBH-UHFFFAOYSA-N -1 3 380.430 0.916 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCS(=O)(=O)CC1 ZINC000735905537 598582819 /nfs/dbraw/zinc/58/28/19/598582819.db2.gz KFXQDGQQOYMDBH-UHFFFAOYSA-N -1 3 380.430 0.916 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000736184548 598587556 /nfs/dbraw/zinc/58/75/56/598587556.db2.gz LQRZGACQCQTIJZ-SNVBAGLBSA-N -1 3 382.446 0.078 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000736184548 598587558 /nfs/dbraw/zinc/58/75/58/598587558.db2.gz LQRZGACQCQTIJZ-SNVBAGLBSA-N -1 3 382.446 0.078 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736578062 598590191 /nfs/dbraw/zinc/59/01/91/598590191.db2.gz QSINLMSVOQFOAL-UHFFFAOYSA-N -1 3 384.487 0.155 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736578062 598590193 /nfs/dbraw/zinc/59/01/93/598590193.db2.gz QSINLMSVOQFOAL-UHFFFAOYSA-N -1 3 384.487 0.155 20 0 GCADHM O=C(c1ccc2nccn2c1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738270672 598590325 /nfs/dbraw/zinc/59/03/25/598590325.db2.gz SDMRZSWZSSSYOL-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(c1ccc2nccn2c1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738270672 598590326 /nfs/dbraw/zinc/59/03/26/598590326.db2.gz SDMRZSWZSSSYOL-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(NCCOC[C@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738082305 598591266 /nfs/dbraw/zinc/59/12/66/598591266.db2.gz LFKPQXWTEYDATA-JTQLQIEISA-N -1 3 394.819 0.628 20 0 GCADHM O=C(NCCOC[C@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738082305 598591268 /nfs/dbraw/zinc/59/12/68/598591268.db2.gz LFKPQXWTEYDATA-JTQLQIEISA-N -1 3 394.819 0.628 20 0 GCADHM CS(=O)(=O)CCN1CCC(Nc2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000737163582 598592743 /nfs/dbraw/zinc/59/27/43/598592743.db2.gz ZPYACHWIOQJZEE-UHFFFAOYSA-N -1 3 391.501 0.671 20 0 GCADHM CS(=O)(=O)CCN1CCC(Nc2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000737163582 598592745 /nfs/dbraw/zinc/59/27/45/598592745.db2.gz ZPYACHWIOQJZEE-UHFFFAOYSA-N -1 3 391.501 0.671 20 0 GCADHM c1cnc(N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c(-c2nnn[n-]2)c1 ZINC000738446405 598592968 /nfs/dbraw/zinc/59/29/68/598592968.db2.gz YLKNKTYPSGEUIB-UHFFFAOYSA-N -1 3 389.427 0.903 20 0 GCADHM c1cnc(N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c(-c2nn[n-]n2)c1 ZINC000738446405 598592969 /nfs/dbraw/zinc/59/29/69/598592969.db2.gz YLKNKTYPSGEUIB-UHFFFAOYSA-N -1 3 389.427 0.903 20 0 GCADHM CCS(=O)(=O)NCCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736665390 598593386 /nfs/dbraw/zinc/59/33/86/598593386.db2.gz UPPIEAJGBKAPNL-UHFFFAOYSA-N -1 3 383.453 0.067 20 0 GCADHM CCS(=O)(=O)NCCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736665390 598593387 /nfs/dbraw/zinc/59/33/87/598593387.db2.gz UPPIEAJGBKAPNL-UHFFFAOYSA-N -1 3 383.453 0.067 20 0 GCADHM C[C@H](CN1CCCC1=O)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735999457 598594434 /nfs/dbraw/zinc/59/44/34/598594434.db2.gz AOTNGHBAIDHLGE-CZUORRHYSA-N -1 3 383.456 0.963 20 0 GCADHM C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736010618 598594787 /nfs/dbraw/zinc/59/47/87/598594787.db2.gz STTKDPUUTFRLHA-WMLDXEAASA-N -1 3 385.472 0.672 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738316499 598595757 /nfs/dbraw/zinc/59/57/57/598595757.db2.gz BVNAPNYLJYRPGN-GFCCVEGCSA-N -1 3 393.473 0.186 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738316499 598595758 /nfs/dbraw/zinc/59/57/58/598595758.db2.gz BVNAPNYLJYRPGN-GFCCVEGCSA-N -1 3 393.473 0.186 20 0 GCADHM C[C@H]1CN(CCNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736284812 598596395 /nfs/dbraw/zinc/59/63/95/598596395.db2.gz GKUXIPHSFZEQSZ-WMLDXEAASA-N -1 3 385.472 0.672 20 0 GCADHM CS(=O)(=O)CCN1CCC(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737163559 598596704 /nfs/dbraw/zinc/59/67/04/598596704.db2.gz ZCCDJYKZPRHFQT-UHFFFAOYSA-N -1 3 393.473 0.497 20 0 GCADHM CS(=O)(=O)CCN1CCC(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737163559 598596705 /nfs/dbraw/zinc/59/67/05/598596705.db2.gz ZCCDJYKZPRHFQT-UHFFFAOYSA-N -1 3 393.473 0.497 20 0 GCADHM O=C(NCCNc1cnccn1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738078012 598597075 /nfs/dbraw/zinc/59/70/75/598597075.db2.gz LFKKRAKTNRPFFD-OAHLLOKOSA-N -1 3 379.428 0.854 20 0 GCADHM Cn1c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000737588442 598597727 /nfs/dbraw/zinc/59/77/27/598597727.db2.gz HMFUTNWQTDPRID-UHFFFAOYSA-N -1 3 398.358 0.147 20 0 GCADHM CNC(=O)CN(C)CC(=O)Nc1c(-c2nnn[n-]2)c(C)c(C)n1-c1ccccc1 ZINC000821633113 607362257 /nfs/dbraw/zinc/36/22/57/607362257.db2.gz YZVBZFDRXAGZBW-UHFFFAOYSA-N -1 3 396.455 0.891 20 0 GCADHM CNC(=O)CN(C)CC(=O)Nc1c(-c2nn[n-]n2)c(C)c(C)n1-c1ccccc1 ZINC000821633113 607362259 /nfs/dbraw/zinc/36/22/59/607362259.db2.gz YZVBZFDRXAGZBW-UHFFFAOYSA-N -1 3 396.455 0.891 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCCOC[C@@H]1CCOC1 ZINC000738078651 598598533 /nfs/dbraw/zinc/59/85/33/598598533.db2.gz UDSMSONFOXCMSO-GFCCVEGCSA-N -1 3 376.421 0.026 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCCOC[C@@H]1CCOC1 ZINC000738078651 598598535 /nfs/dbraw/zinc/59/85/35/598598535.db2.gz UDSMSONFOXCMSO-GFCCVEGCSA-N -1 3 376.421 0.026 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCCOC[C@H]1CCOC1 ZINC000738084028 598599321 /nfs/dbraw/zinc/59/93/21/598599321.db2.gz YROHAAINOCHRFM-LBPRGKRZSA-N -1 3 376.421 0.026 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCCOC[C@H]1CCOC1 ZINC000738084028 598599323 /nfs/dbraw/zinc/59/93/23/598599323.db2.gz YROHAAINOCHRFM-LBPRGKRZSA-N -1 3 376.421 0.026 20 0 GCADHM C[C@@]1(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)Cc2ccccc2C(=O)O1 ZINC000736204349 598600542 /nfs/dbraw/zinc/60/05/42/598600542.db2.gz FAGJHCRRJUQGQF-KRWDZBQOSA-N -1 3 383.368 0.360 20 0 GCADHM C[C@@]1(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)Cc2ccccc2C(=O)O1 ZINC000736204349 598600543 /nfs/dbraw/zinc/60/05/43/598600543.db2.gz FAGJHCRRJUQGQF-KRWDZBQOSA-N -1 3 383.368 0.360 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738081614 598602260 /nfs/dbraw/zinc/60/22/60/598602260.db2.gz FLFGWQITLPGSAE-SNVBAGLBSA-N -1 3 378.364 0.114 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738081614 598602261 /nfs/dbraw/zinc/60/22/61/598602261.db2.gz FLFGWQITLPGSAE-SNVBAGLBSA-N -1 3 378.364 0.114 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000737770079 598604543 /nfs/dbraw/zinc/60/45/43/598604543.db2.gz HETPTSHNEGKNRJ-CYBMUJFWSA-N -1 3 396.411 0.237 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000737770079 598604544 /nfs/dbraw/zinc/60/45/44/598604544.db2.gz HETPTSHNEGKNRJ-CYBMUJFWSA-N -1 3 396.411 0.237 20 0 GCADHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735626400 598604932 /nfs/dbraw/zinc/60/49/32/598604932.db2.gz JXXBSNFTIMRWNH-NSHDSACASA-N -1 3 392.420 0.588 20 0 GCADHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735626400 598604933 /nfs/dbraw/zinc/60/49/33/598604933.db2.gz JXXBSNFTIMRWNH-NSHDSACASA-N -1 3 392.420 0.588 20 0 GCADHM O=C(NC1CCS(=O)(=O)CC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738038385 598605195 /nfs/dbraw/zinc/60/51/95/598605195.db2.gz ZBXJWHLNPSESIC-OAHLLOKOSA-N -1 3 390.469 0.529 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCOC[C@H]1CCCO1 ZINC000737888887 598605207 /nfs/dbraw/zinc/60/52/07/598605207.db2.gz HUWDXYQTMSKTTN-OAHLLOKOSA-N -1 3 388.428 0.298 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCOC[C@H]1CCCO1 ZINC000737888887 598605208 /nfs/dbraw/zinc/60/52/08/598605208.db2.gz HUWDXYQTMSKTTN-OAHLLOKOSA-N -1 3 388.428 0.298 20 0 GCADHM O=C(CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCCCC1 ZINC000738037055 598605214 /nfs/dbraw/zinc/60/52/14/598605214.db2.gz CUPQTYPDWFMPIN-MRXNPFEDSA-N -1 3 383.456 0.964 20 0 GCADHM C[C@@H]1Oc2ccccc2N(CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1=O ZINC000736300925 598605501 /nfs/dbraw/zinc/60/55/01/598605501.db2.gz HUFKIQPKUTZSSX-JTQLQIEISA-N -1 3 398.383 0.003 20 0 GCADHM C[C@@H]1Oc2ccccc2N(CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1=O ZINC000736300925 598605502 /nfs/dbraw/zinc/60/55/02/598605502.db2.gz HUFKIQPKUTZSSX-JTQLQIEISA-N -1 3 398.383 0.003 20 0 GCADHM Cc1ccc(N2C[C@@H](C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)CC2=O)cc1 ZINC000737353844 598605583 /nfs/dbraw/zinc/60/55/83/598605583.db2.gz XQZKEIWVRTWAGH-LBPRGKRZSA-N -1 3 396.411 0.550 20 0 GCADHM Cc1ccc(N2C[C@@H](C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)CC2=O)cc1 ZINC000737353844 598605585 /nfs/dbraw/zinc/60/55/85/598605585.db2.gz XQZKEIWVRTWAGH-LBPRGKRZSA-N -1 3 396.411 0.550 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000737770600 598606342 /nfs/dbraw/zinc/60/63/42/598606342.db2.gz LXIQRUPNLIEWSM-VIFPVBQESA-N -1 3 388.354 0.463 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000737770600 598606344 /nfs/dbraw/zinc/60/63/44/598606344.db2.gz LXIQRUPNLIEWSM-VIFPVBQESA-N -1 3 388.354 0.463 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(Cn2cncn2)cc1 ZINC000737769644 598607880 /nfs/dbraw/zinc/60/78/80/598607880.db2.gz ASGLMUVBMRQLDP-UHFFFAOYSA-N -1 3 380.372 0.142 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(Cn2cncn2)cc1 ZINC000737769644 598607881 /nfs/dbraw/zinc/60/78/81/598607881.db2.gz ASGLMUVBMRQLDP-UHFFFAOYSA-N -1 3 380.372 0.142 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCn2c(C)nnc2C1 ZINC000737032934 598612403 /nfs/dbraw/zinc/61/24/03/598612403.db2.gz LVSCCISPIKAGIQ-UHFFFAOYSA-N -1 3 398.427 0.977 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCn2c(C)nnc2C1 ZINC000737032934 598612405 /nfs/dbraw/zinc/61/24/05/598612405.db2.gz LVSCCISPIKAGIQ-UHFFFAOYSA-N -1 3 398.427 0.977 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCN1CCOCC1(C)C ZINC000737023528 598613204 /nfs/dbraw/zinc/61/32/04/598613204.db2.gz LVUIIVNHXUUVES-UHFFFAOYSA-N -1 3 390.444 0.481 20 0 GCADHM CCOC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736601477 598616280 /nfs/dbraw/zinc/61/62/80/598616280.db2.gz YPUOZOSNFMNMAL-AWEZNQCLSA-N -1 3 399.411 0.273 20 0 GCADHM CCOC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736601477 598616281 /nfs/dbraw/zinc/61/62/81/598616281.db2.gz YPUOZOSNFMNMAL-AWEZNQCLSA-N -1 3 399.411 0.273 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CN1CCC(=O)NC1=O ZINC000736629222 598616414 /nfs/dbraw/zinc/61/64/14/598616414.db2.gz VKTHVYJJAOSUDW-UHFFFAOYSA-N -1 3 394.775 0.766 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CN1CCC(=O)NC1=O ZINC000736629222 598616415 /nfs/dbraw/zinc/61/64/15/598616415.db2.gz VKTHVYJJAOSUDW-UHFFFAOYSA-N -1 3 394.775 0.766 20 0 GCADHM CC(=O)NC1CCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735475770 598616711 /nfs/dbraw/zinc/61/67/11/598616711.db2.gz SOIIORQMHNTWAN-OAHLLOKOSA-N -1 3 383.412 0.099 20 0 GCADHM CC(=O)NC1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735475770 598616712 /nfs/dbraw/zinc/61/67/12/598616712.db2.gz SOIIORQMHNTWAN-OAHLLOKOSA-N -1 3 383.412 0.099 20 0 GCADHM O=C(Cc1ccc(OCCOc2ccc(-c3nn[n-]n3)cc2)cc1)NCCO ZINC000737959856 598616959 /nfs/dbraw/zinc/61/69/59/598616959.db2.gz QUZFDRKYPBEKHC-UHFFFAOYSA-N -1 3 383.408 0.976 20 0 GCADHM NC(=O)CC[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000737749050 598617889 /nfs/dbraw/zinc/61/78/89/598617889.db2.gz VWNOGKQUBOFLAQ-IUODEOHRSA-N -1 3 397.439 0.476 20 0 GCADHM NC(=O)CC[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000737749049 598617974 /nfs/dbraw/zinc/61/79/74/598617974.db2.gz VWNOGKQUBOFLAQ-DOMZBBRYSA-N -1 3 397.439 0.476 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736939958 598618464 /nfs/dbraw/zinc/61/84/64/598618464.db2.gz MEELRHMOFVSFMF-MFKMUULPSA-N -1 3 394.819 0.457 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](O)CN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736939958 598618466 /nfs/dbraw/zinc/61/84/66/598618466.db2.gz MEELRHMOFVSFMF-MFKMUULPSA-N -1 3 394.819 0.457 20 0 GCADHM COCCCN(CCOc1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000736981573 598618731 /nfs/dbraw/zinc/61/87/31/598618731.db2.gz NCTOGZAMKSZSFD-HNNXBMFYSA-N -1 3 395.485 0.771 20 0 GCADHM COCCCN(CCOc1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000736981573 598618732 /nfs/dbraw/zinc/61/87/32/598618732.db2.gz NCTOGZAMKSZSFD-HNNXBMFYSA-N -1 3 395.485 0.771 20 0 GCADHM CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736576657 598621754 /nfs/dbraw/zinc/62/17/54/598621754.db2.gz YLZPIVZJIXQSBE-CYBMUJFWSA-N -1 3 387.400 0.224 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1)NCc1cccnc1 ZINC000737881474 598622433 /nfs/dbraw/zinc/62/24/33/598622433.db2.gz FGCVNKIKYUBETB-UHFFFAOYSA-N -1 3 396.430 0.839 20 0 GCADHM CCCNC(=O)CCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736479794 598623899 /nfs/dbraw/zinc/62/38/99/598623899.db2.gz HGFRKQBCXHACSM-UHFFFAOYSA-N -1 3 389.435 0.961 20 0 GCADHM CCCNC(=O)CCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736479794 598623901 /nfs/dbraw/zinc/62/39/01/598623901.db2.gz HGFRKQBCXHACSM-UHFFFAOYSA-N -1 3 389.435 0.961 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737164769 598625138 /nfs/dbraw/zinc/62/51/38/598625138.db2.gz BKWAJGMRUTYRTR-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737164769 598625140 /nfs/dbraw/zinc/62/51/40/598625140.db2.gz BKWAJGMRUTYRTR-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM NS(=O)(=O)c1cccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737770744 598627032 /nfs/dbraw/zinc/62/70/32/598627032.db2.gz YCZPEHWDCHHXOQ-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1cccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737770744 598627034 /nfs/dbraw/zinc/62/70/34/598627034.db2.gz YCZPEHWDCHHXOQ-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM CNS(=O)(=O)C1CCN([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000736883194 598627139 /nfs/dbraw/zinc/62/71/39/598627139.db2.gz NZJIFXDOZMHUQI-LLVKDONJSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)C1CCN([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000736883194 598627141 /nfs/dbraw/zinc/62/71/41/598627141.db2.gz NZJIFXDOZMHUQI-LLVKDONJSA-N -1 3 393.473 0.207 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2ccc3c(c2)OCCO3)c(-c2nnn[n-]2)c1 ZINC000737769515 598631112 /nfs/dbraw/zinc/63/11/12/598631112.db2.gz MITIMIVKKSPVLT-UHFFFAOYSA-N -1 3 388.409 0.897 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2ccc3c(c2)OCCO3)c(-c2nn[n-]n2)c1 ZINC000737769515 598631113 /nfs/dbraw/zinc/63/11/13/598631113.db2.gz MITIMIVKKSPVLT-UHFFFAOYSA-N -1 3 388.409 0.897 20 0 GCADHM NS(=O)(=O)c1ccc(NCCNC(=O)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737769155 598632657 /nfs/dbraw/zinc/63/26/57/598632657.db2.gz GFZWRZPFTCUNEA-UHFFFAOYSA-N -1 3 387.425 0.356 20 0 GCADHM NS(=O)(=O)c1ccc(NCCNC(=O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737769155 598632659 /nfs/dbraw/zinc/63/26/59/598632659.db2.gz GFZWRZPFTCUNEA-UHFFFAOYSA-N -1 3 387.425 0.356 20 0 GCADHM NS(=O)(=O)c1ccc(NCC(=O)NCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000737769267 598633716 /nfs/dbraw/zinc/63/37/16/598633716.db2.gz IOYBFGJYVSLPQC-UHFFFAOYSA-N -1 3 387.425 0.242 20 0 GCADHM NS(=O)(=O)c1ccc(NCC(=O)NCc2ccccc2)c(-c2nn[n-]n2)c1 ZINC000737769267 598633718 /nfs/dbraw/zinc/63/37/18/598633718.db2.gz IOYBFGJYVSLPQC-UHFFFAOYSA-N -1 3 387.425 0.242 20 0 GCADHM Cn1c2ccc(NC(=O)NCCNc3ncccc3-c3nnn[n-]3)cc2oc1=O ZINC000737588530 598634281 /nfs/dbraw/zinc/63/42/81/598634281.db2.gz JDGABOVHRGPERD-UHFFFAOYSA-N -1 3 395.383 0.940 20 0 GCADHM Cn1c2ccc(NC(=O)NCCNc3ncccc3-c3nn[n-]n3)cc2oc1=O ZINC000737588530 598634283 /nfs/dbraw/zinc/63/42/83/598634283.db2.gz JDGABOVHRGPERD-UHFFFAOYSA-N -1 3 395.383 0.940 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCS(=O)(=O)N(C)C ZINC000736169328 598635801 /nfs/dbraw/zinc/63/58/01/598635801.db2.gz MTVCYXQSORUKKD-NSHDSACASA-N -1 3 383.430 0.459 20 0 GCADHM O=C(NCCNC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738074774 598636024 /nfs/dbraw/zinc/63/60/24/598636024.db2.gz MVXDJCAAAAARKN-UHFFFAOYSA-N -1 3 397.370 0.491 20 0 GCADHM O=C(NCCNC(=O)c1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738074774 598636026 /nfs/dbraw/zinc/63/60/26/598636026.db2.gz MVXDJCAAAAARKN-UHFFFAOYSA-N -1 3 397.370 0.491 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCS(=O)(=O)N(C)C ZINC000736169325 598636269 /nfs/dbraw/zinc/63/62/69/598636269.db2.gz MTVCYXQSORUKKD-LLVKDONJSA-N -1 3 383.430 0.459 20 0 GCADHM O=C(NCCOCC(F)(F)F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738083293 598636345 /nfs/dbraw/zinc/63/63/45/598636345.db2.gz UDKVPMIHNKDRPX-UHFFFAOYSA-N -1 3 376.270 0.639 20 0 GCADHM O=C(NCCOCC(F)(F)F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738083293 598636346 /nfs/dbraw/zinc/63/63/46/598636346.db2.gz UDKVPMIHNKDRPX-UHFFFAOYSA-N -1 3 376.270 0.639 20 0 GCADHM CCOC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736600200 598637505 /nfs/dbraw/zinc/63/75/05/598637505.db2.gz LAMBXTFIQYGCNO-UHFFFAOYSA-N -1 3 391.363 0.245 20 0 GCADHM CCOC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736600200 598637506 /nfs/dbraw/zinc/63/75/06/598637506.db2.gz LAMBXTFIQYGCNO-UHFFFAOYSA-N -1 3 391.363 0.245 20 0 GCADHM CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736781960 598638313 /nfs/dbraw/zinc/63/83/13/598638313.db2.gz GDOVFAYCYFJVMV-UHFFFAOYSA-N -1 3 377.380 0.317 20 0 GCADHM CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736781960 598638315 /nfs/dbraw/zinc/63/83/15/598638315.db2.gz GDOVFAYCYFJVMV-UHFFFAOYSA-N -1 3 377.380 0.317 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000738162185 598638941 /nfs/dbraw/zinc/63/89/41/598638941.db2.gz KFRUUKUDYNITOK-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCN(c2cnccn2)CC1 ZINC000738162185 598638943 /nfs/dbraw/zinc/63/89/43/598638943.db2.gz KFRUUKUDYNITOK-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM CNS(=O)(=O)c1ccc(NCCNc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC000736886785 598639116 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391.363 0.291 20 0 GCADHM NC(=O)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737748309 598640769 /nfs/dbraw/zinc/64/07/69/598640769.db2.gz RPJOLBQNZXQOBD-SNVBAGLBSA-N -1 3 389.391 0.448 20 0 GCADHM NC(=O)CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737748309 598640771 /nfs/dbraw/zinc/64/07/71/598640771.db2.gz RPJOLBQNZXQOBD-SNVBAGLBSA-N -1 3 389.391 0.448 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737760693 598641121 /nfs/dbraw/zinc/64/11/21/598641121.db2.gz JVCRLCUARTUCES-UHFFFAOYSA-N -1 3 397.370 0.402 20 0 GCADHM NC(=O)c1cccc(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737760693 598641122 /nfs/dbraw/zinc/64/11/22/598641122.db2.gz JVCRLCUARTUCES-UHFFFAOYSA-N -1 3 397.370 0.402 20 0 GCADHM COc1cccc2c1OC[C@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000737144048 598641742 /nfs/dbraw/zinc/64/17/42/598641742.db2.gz ZEKMJVKYLZRYDS-CQSZACIVSA-N -1 3 394.391 0.934 20 0 GCADHM COc1cccc2c1OC[C@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000737144048 598641744 /nfs/dbraw/zinc/64/17/44/598641744.db2.gz ZEKMJVKYLZRYDS-CQSZACIVSA-N -1 3 394.391 0.934 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000737833459 598648861 /nfs/dbraw/zinc/64/88/61/598648861.db2.gz SGHZJPDGLWNRMX-CYBMUJFWSA-N -1 3 379.442 0.719 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000737833459 598648863 /nfs/dbraw/zinc/64/88/63/598648863.db2.gz SGHZJPDGLWNRMX-CYBMUJFWSA-N -1 3 379.442 0.719 20 0 GCADHM CCn1nc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ccc1=O ZINC000736721981 598657099 /nfs/dbraw/zinc/65/70/99/598657099.db2.gz LOEGGRJLBSAODE-UHFFFAOYSA-N -1 3 395.427 0.237 20 0 GCADHM CCn1nc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ccc1=O ZINC000736721981 598657100 /nfs/dbraw/zinc/65/71/00/598657100.db2.gz LOEGGRJLBSAODE-UHFFFAOYSA-N -1 3 395.427 0.237 20 0 GCADHM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000736463901 598664106 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0.500 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1cnn(CCN2CCOCC2)c1 ZINC000737956068 598670915 /nfs/dbraw/zinc/67/09/15/598670915.db2.gz TZZSKLSUPFSPOJ-UHFFFAOYSA-N -1 3 382.428 0.577 20 0 GCADHM CN(c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1)S(C)(=O)=O ZINC000736842706 598672584 /nfs/dbraw/zinc/67/25/84/598672584.db2.gz VFEIHYKBMQZWGF-UHFFFAOYSA-N -1 3 387.425 0.588 20 0 GCADHM CN(c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1)S(C)(=O)=O ZINC000736842706 598672585 /nfs/dbraw/zinc/67/25/85/598672585.db2.gz VFEIHYKBMQZWGF-UHFFFAOYSA-N -1 3 387.425 0.588 20 0 GCADHM COc1ncnc(OC)c1C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737162377 598683595 /nfs/dbraw/zinc/68/35/95/598683595.db2.gz QCZWTXIEXSOHQM-UHFFFAOYSA-N -1 3 397.399 0.031 20 0 GCADHM COc1ncnc(OC)c1C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737162377 598683596 /nfs/dbraw/zinc/68/35/96/598683596.db2.gz QCZWTXIEXSOHQM-UHFFFAOYSA-N -1 3 397.399 0.031 20 0 GCADHM CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736601476 598686513 /nfs/dbraw/zinc/68/65/13/598686513.db2.gz YODCHLNABYPNGG-UHFFFAOYSA-N -1 3 398.420 0.905 20 0 GCADHM CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736601476 598686515 /nfs/dbraw/zinc/68/65/15/598686515.db2.gz YODCHLNABYPNGG-UHFFFAOYSA-N -1 3 398.420 0.905 20 0 GCADHM CN(CCS(C)(=O)=O)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736804858 598688326 /nfs/dbraw/zinc/68/83/26/598688326.db2.gz YWECORJKXMRPSI-UHFFFAOYSA-N -1 3 381.458 0.919 20 0 GCADHM CN(CCS(C)(=O)=O)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736804858 598688327 /nfs/dbraw/zinc/68/83/27/598688327.db2.gz YWECORJKXMRPSI-UHFFFAOYSA-N -1 3 381.458 0.919 20 0 GCADHM NC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737760214 598688825 /nfs/dbraw/zinc/68/88/25/598688825.db2.gz IXCIRAJRTWTGDF-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN(c2nccs2)CC1 ZINC000738353744 598689121 /nfs/dbraw/zinc/68/91/21/598689121.db2.gz GIUVNTZWJXYEGM-UHFFFAOYSA-N -1 3 395.445 0.973 20 0 GCADHM CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736601248 598690046 /nfs/dbraw/zinc/69/00/46/598690046.db2.gz UKTUOIDDYDQVSB-SNVBAGLBSA-N -1 3 398.420 0.905 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H](C2OCCO2)C1 ZINC000738355786 598694480 /nfs/dbraw/zinc/69/44/80/598694480.db2.gz SQPBIWDXZDAPJO-JTQLQIEISA-N -1 3 383.405 0.779 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000737921412 598694952 /nfs/dbraw/zinc/69/49/52/598694952.db2.gz WMLNXXWMZVACFG-INIZCTEOSA-N -1 3 386.456 0.959 20 0 GCADHM CCn1ccnc1CN1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736722459 598697240 /nfs/dbraw/zinc/69/72/40/598697240.db2.gz MLYCIFRCSNGYRD-UHFFFAOYSA-N -1 3 396.455 0.806 20 0 GCADHM CN(CCn1cccn1)CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736814663 598698617 /nfs/dbraw/zinc/69/86/17/598698617.db2.gz MBEHKRNKAMYFCF-UHFFFAOYSA-N -1 3 395.427 0.417 20 0 GCADHM CN(CCn1cccn1)CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736814663 598698618 /nfs/dbraw/zinc/69/86/18/598698618.db2.gz MBEHKRNKAMYFCF-UHFFFAOYSA-N -1 3 395.427 0.417 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCC[C@H](OCCO)C2)cc1 ZINC000822899408 607363016 /nfs/dbraw/zinc/36/30/16/607363016.db2.gz JGMRZXDDQUCERZ-AWEZNQCLSA-N -1 3 398.427 0.248 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCC[C@H](OCCO)C2)cc1 ZINC000822899408 607363018 /nfs/dbraw/zinc/36/30/18/607363018.db2.gz JGMRZXDDQUCERZ-AWEZNQCLSA-N -1 3 398.427 0.248 20 0 GCADHM NC(=O)CN1CCC(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737753052 598699509 /nfs/dbraw/zinc/69/95/09/598699509.db2.gz KIHVHSHRZZUGKY-UHFFFAOYSA-N -1 3 375.458 0.025 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737984822 598705561 /nfs/dbraw/zinc/70/55/61/598705561.db2.gz GZIZYASAXZQPPB-UHFFFAOYSA-N -1 3 381.327 0.854 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737984822 598705562 /nfs/dbraw/zinc/70/55/62/598705562.db2.gz GZIZYASAXZQPPB-UHFFFAOYSA-N -1 3 381.327 0.854 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736522603 598709419 /nfs/dbraw/zinc/70/94/19/598709419.db2.gz MWKGECVYKADDPE-CQSZACIVSA-N -1 3 378.458 0.888 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736522603 598709420 /nfs/dbraw/zinc/70/94/20/598709420.db2.gz MWKGECVYKADDPE-CQSZACIVSA-N -1 3 378.458 0.888 20 0 GCADHM COCCCS(=O)(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736988572 598709514 /nfs/dbraw/zinc/70/95/14/598709514.db2.gz VWISSBJCMQCTDH-UHFFFAOYSA-N -1 3 384.437 0.494 20 0 GCADHM COCCCS(=O)(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736988572 598709515 /nfs/dbraw/zinc/70/95/15/598709515.db2.gz VWISSBJCMQCTDH-UHFFFAOYSA-N -1 3 384.437 0.494 20 0 GCADHM O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1)N1CCCC1 ZINC000737792592 598712974 /nfs/dbraw/zinc/71/29/74/598712974.db2.gz RIIGSFVHJMIOGB-CYBMUJFWSA-N -1 3 390.469 0.890 20 0 GCADHM O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1)N1CCCC1 ZINC000737792592 598712976 /nfs/dbraw/zinc/71/29/76/598712976.db2.gz RIIGSFVHJMIOGB-CYBMUJFWSA-N -1 3 390.469 0.890 20 0 GCADHM C[C@@H](NC(=O)COC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000736105480 598713443 /nfs/dbraw/zinc/71/34/43/598713443.db2.gz PTFLAPJDQYKPKU-SNVBAGLBSA-N -1 3 392.441 0.095 20 0 GCADHM C[C@@H](NC(=O)COC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000736105480 598713446 /nfs/dbraw/zinc/71/34/46/598713446.db2.gz PTFLAPJDQYKPKU-SNVBAGLBSA-N -1 3 392.441 0.095 20 0 GCADHM CC(C)[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(N)=O ZINC000735735811 598714378 /nfs/dbraw/zinc/71/43/78/598714378.db2.gz VRXCWYJOEZUFQV-GFCCVEGCSA-N -1 3 378.414 0.722 20 0 GCADHM CC(C)[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(N)=O ZINC000735735811 598714379 /nfs/dbraw/zinc/71/43/79/598714379.db2.gz VRXCWYJOEZUFQV-GFCCVEGCSA-N -1 3 378.414 0.722 20 0 GCADHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(=O)NC1CC1 ZINC000736155012 598714619 /nfs/dbraw/zinc/71/46/19/598714619.db2.gz FQJJMJAYMBLDEU-SECBINFHSA-N -1 3 390.425 0.879 20 0 GCADHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(=O)NC1CC1 ZINC000736155012 598714621 /nfs/dbraw/zinc/71/46/21/598714621.db2.gz FQJJMJAYMBLDEU-SECBINFHSA-N -1 3 390.425 0.879 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)cn1 ZINC000736878700 598715095 /nfs/dbraw/zinc/71/50/95/598715095.db2.gz WPFYLGGDADSPEX-UHFFFAOYSA-N -1 3 387.381 0.478 20 0 GCADHM CNC(=O)c1ccc(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)cn1 ZINC000736878700 598715097 /nfs/dbraw/zinc/71/50/97/598715097.db2.gz WPFYLGGDADSPEX-UHFFFAOYSA-N -1 3 387.381 0.478 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736878041 598715283 /nfs/dbraw/zinc/71/52/83/598715283.db2.gz RNUYRSRLUWCEHK-SNVBAGLBSA-N -1 3 395.379 0.805 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736878041 598715285 /nfs/dbraw/zinc/71/52/85/598715285.db2.gz RNUYRSRLUWCEHK-SNVBAGLBSA-N -1 3 395.379 0.805 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000736910779 598716637 /nfs/dbraw/zinc/71/66/37/598716637.db2.gz BNIBMAIAMKPBLP-LLVKDONJSA-N -1 3 398.326 0.874 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000736910779 598716639 /nfs/dbraw/zinc/71/66/39/598716639.db2.gz BNIBMAIAMKPBLP-LLVKDONJSA-N -1 3 398.326 0.874 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737128104 598722065 /nfs/dbraw/zinc/72/20/65/598722065.db2.gz MUTLTUDQZBNXJM-INIZCTEOSA-N -1 3 396.407 0.455 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737128104 598722067 /nfs/dbraw/zinc/72/20/67/598722067.db2.gz MUTLTUDQZBNXJM-INIZCTEOSA-N -1 3 396.407 0.455 20 0 GCADHM COc1ccc(OC)c(CN(CCO)C(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737110380 598722091 /nfs/dbraw/zinc/72/20/91/598722091.db2.gz WFSWLXWXJRIGEC-UHFFFAOYSA-N -1 3 384.396 0.914 20 0 GCADHM COc1ccc(OC)c(CN(CCO)C(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737110380 598722092 /nfs/dbraw/zinc/72/20/92/598722092.db2.gz WFSWLXWXJRIGEC-UHFFFAOYSA-N -1 3 384.396 0.914 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCn2c(nnc2C2CC2)C1 ZINC000738040691 598722271 /nfs/dbraw/zinc/72/22/71/598722271.db2.gz VTAXXNIKVFEMLG-UHFFFAOYSA-N -1 3 393.411 0.108 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCn2c(nnc2C2CC2)C1 ZINC000738040691 598722273 /nfs/dbraw/zinc/72/22/73/598722273.db2.gz VTAXXNIKVFEMLG-UHFFFAOYSA-N -1 3 393.411 0.108 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000738040623 598722338 /nfs/dbraw/zinc/72/23/38/598722338.db2.gz VJXHGLCWCRGHCE-HNNXBMFYSA-N -1 3 397.439 0.210 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000738040623 598722341 /nfs/dbraw/zinc/72/23/41/598722341.db2.gz VJXHGLCWCRGHCE-HNNXBMFYSA-N -1 3 397.439 0.210 20 0 GCADHM CCCNC(=O)CCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000736482851 598723002 /nfs/dbraw/zinc/72/30/02/598723002.db2.gz ASOFXMSMPLNULJ-UHFFFAOYSA-N -1 3 378.389 0.865 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737610282 598723450 /nfs/dbraw/zinc/72/34/50/598723450.db2.gz MGGYKCJCKIIQOB-AWEZNQCLSA-N -1 3 383.368 0.328 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737610282 598723451 /nfs/dbraw/zinc/72/34/51/598723451.db2.gz MGGYKCJCKIIQOB-AWEZNQCLSA-N -1 3 383.368 0.328 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737610744 598723496 /nfs/dbraw/zinc/72/34/96/598723496.db2.gz QNKJZLCFBXPWRY-IDTUSYRASA-N -1 3 379.380 0.962 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737610744 598723497 /nfs/dbraw/zinc/72/34/97/598723497.db2.gz QNKJZLCFBXPWRY-IDTUSYRASA-N -1 3 379.380 0.962 20 0 GCADHM CC(C)CCC(=O)NCC(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735795983 598723855 /nfs/dbraw/zinc/72/38/55/598723855.db2.gz QCVHADDCJJJDDT-UHFFFAOYSA-N -1 3 388.428 0.579 20 0 GCADHM CC(C)CCC(=O)NCC(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735795983 598723856 /nfs/dbraw/zinc/72/38/56/598723856.db2.gz QCVHADDCJJJDDT-UHFFFAOYSA-N -1 3 388.428 0.579 20 0 GCADHM CCn1nc(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1=O ZINC000736727716 598724523 /nfs/dbraw/zinc/72/45/23/598724523.db2.gz DJKRYCRKCGZNJP-CQSZACIVSA-N -1 3 395.379 0.406 20 0 GCADHM CCn1nc(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1=O ZINC000736727716 598724525 /nfs/dbraw/zinc/72/45/25/598724525.db2.gz DJKRYCRKCGZNJP-CQSZACIVSA-N -1 3 395.379 0.406 20 0 GCADHM CNC(=O)NC(=O)[C@H](C)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736879000 598726309 /nfs/dbraw/zinc/72/63/09/598726309.db2.gz NECWOLXOMKDWBK-NSHDSACASA-N -1 3 390.400 0.803 20 0 GCADHM CNC(=O)NC(=O)[C@H](C)OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736879000 598726311 /nfs/dbraw/zinc/72/63/11/598726311.db2.gz NECWOLXOMKDWBK-NSHDSACASA-N -1 3 390.400 0.803 20 0 GCADHM Cn1cc([C@H]2CCCN2C(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1 ZINC000737604810 598726324 /nfs/dbraw/zinc/72/63/24/598726324.db2.gz KSIRAGAUVHAAIA-CQSZACIVSA-N -1 3 382.432 0.954 20 0 GCADHM Cn1cc([C@H]2CCCN2C(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1 ZINC000737604810 598726326 /nfs/dbraw/zinc/72/63/26/598726326.db2.gz KSIRAGAUVHAAIA-CQSZACIVSA-N -1 3 382.432 0.954 20 0 GCADHM Nc1nc(N)nc(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737775690 598726520 /nfs/dbraw/zinc/72/65/20/598726520.db2.gz AKIOTGVKGARUAF-UHFFFAOYSA-N -1 3 385.388 0.509 20 0 GCADHM Nc1nc(N)nc(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737775690 598726521 /nfs/dbraw/zinc/72/65/21/598726521.db2.gz AKIOTGVKGARUAF-UHFFFAOYSA-N -1 3 385.388 0.509 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736783394 598727482 /nfs/dbraw/zinc/72/74/82/598727482.db2.gz QTPOIHPHYOLROF-UHFFFAOYSA-N -1 3 379.808 0.843 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736783394 598727483 /nfs/dbraw/zinc/72/74/83/598727483.db2.gz QTPOIHPHYOLROF-UHFFFAOYSA-N -1 3 379.808 0.843 20 0 GCADHM COCCOCCCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737006960 598727570 /nfs/dbraw/zinc/72/75/70/598727570.db2.gz WCBALLSIOKMKGF-UHFFFAOYSA-N -1 3 389.460 0.751 20 0 GCADHM COCCOCCCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737006960 598727571 /nfs/dbraw/zinc/72/75/71/598727571.db2.gz WCBALLSIOKMKGF-UHFFFAOYSA-N -1 3 389.460 0.751 20 0 GCADHM O=C1CCCN1C[C@@H](O)CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738304442 598728010 /nfs/dbraw/zinc/72/80/10/598728010.db2.gz YSTMAHSFELANBE-ZDUSSCGKSA-N -1 3 389.435 0.111 20 0 GCADHM CCNC(=O)NC(=O)[C@H](C)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821285903 607365499 /nfs/dbraw/zinc/36/54/99/607365499.db2.gz LKNHJNLWLLLSGS-LBPRGKRZSA-N -1 3 375.433 0.549 20 0 GCADHM CNC(=O)CCN(C)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736870917 598730547 /nfs/dbraw/zinc/73/05/47/598730547.db2.gz NBZMQNGAYKXJON-UHFFFAOYSA-N -1 3 377.474 0.877 20 0 GCADHM CNC(=O)CCN(C)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736870917 598730549 /nfs/dbraw/zinc/73/05/49/598730549.db2.gz NBZMQNGAYKXJON-UHFFFAOYSA-N -1 3 377.474 0.877 20 0 GCADHM Cc1cc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)ccc1C(N)=O ZINC000737273839 598730673 /nfs/dbraw/zinc/73/06/73/598730673.db2.gz HZBMFTAYBKFXSO-UHFFFAOYSA-N -1 3 381.400 0.903 20 0 GCADHM Cc1cc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)ccc1C(N)=O ZINC000737273839 598730674 /nfs/dbraw/zinc/73/06/74/598730674.db2.gz HZBMFTAYBKFXSO-UHFFFAOYSA-N -1 3 381.400 0.903 20 0 GCADHM CCOCCN1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000736617672 598732498 /nfs/dbraw/zinc/73/24/98/598732498.db2.gz FFDCXGMXLJEZCU-UHFFFAOYSA-N -1 3 389.464 0.037 20 0 GCADHM CCOCCN1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000736617672 598732499 /nfs/dbraw/zinc/73/24/99/598732499.db2.gz FFDCXGMXLJEZCU-UHFFFAOYSA-N -1 3 389.464 0.037 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCCC[C@H]1C1OCCO1 ZINC000738075323 598732952 /nfs/dbraw/zinc/73/29/52/598732952.db2.gz PKOBDONDIKCHQS-ZDUSSCGKSA-N -1 3 388.432 0.611 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCCC[C@H]1C1OCCO1 ZINC000738075323 598732955 /nfs/dbraw/zinc/73/29/55/598732955.db2.gz PKOBDONDIKCHQS-ZDUSSCGKSA-N -1 3 388.432 0.611 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000735952846 598733392 /nfs/dbraw/zinc/73/33/92/598733392.db2.gz NEOVNKWJKAVHDS-UHFFFAOYSA-N -1 3 381.400 0.563 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000735952846 598733394 /nfs/dbraw/zinc/73/33/94/598733394.db2.gz NEOVNKWJKAVHDS-UHFFFAOYSA-N -1 3 381.400 0.563 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000736637619 598733641 /nfs/dbraw/zinc/73/36/41/598733641.db2.gz XBHPNEIHJILXSR-LLVKDONJSA-N -1 3 388.428 0.823 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000736637619 598733642 /nfs/dbraw/zinc/73/36/42/598733642.db2.gz XBHPNEIHJILXSR-LLVKDONJSA-N -1 3 388.428 0.823 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCn2cnnc2C1 ZINC000735904893 598733767 /nfs/dbraw/zinc/73/37/67/598733767.db2.gz VWEQFNMDCXHCPB-UHFFFAOYSA-N -1 3 397.399 0.226 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2cnnc2C1 ZINC000735904893 598733768 /nfs/dbraw/zinc/73/37/68/598733768.db2.gz VWEQFNMDCXHCPB-UHFFFAOYSA-N -1 3 397.399 0.226 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000736711287 598734030 /nfs/dbraw/zinc/73/40/30/598734030.db2.gz UNFGEUCLOXAAAG-UHFFFAOYSA-N -1 3 385.363 0.141 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000736711287 598734031 /nfs/dbraw/zinc/73/40/31/598734031.db2.gz UNFGEUCLOXAAAG-UHFFFAOYSA-N -1 3 385.363 0.141 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737127487 598734195 /nfs/dbraw/zinc/73/41/95/598734195.db2.gz KLFYGLMVSHZXEO-INIZCTEOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737127487 598734196 /nfs/dbraw/zinc/73/41/96/598734196.db2.gz KLFYGLMVSHZXEO-INIZCTEOSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000737287584 598734228 /nfs/dbraw/zinc/73/42/28/598734228.db2.gz DUWKTPGCUZYYSD-CQSZACIVSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000737287584 598734229 /nfs/dbraw/zinc/73/42/29/598734229.db2.gz DUWKTPGCUZYYSD-CQSZACIVSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000737286941 598734246 /nfs/dbraw/zinc/73/42/46/598734246.db2.gz ALDCYCIASKBRQM-UHFFFAOYSA-N -1 3 393.411 0.625 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000737286941 598734247 /nfs/dbraw/zinc/73/42/47/598734247.db2.gz ALDCYCIASKBRQM-UHFFFAOYSA-N -1 3 393.411 0.625 20 0 GCADHM CS(=O)(=O)N1CCN(CCNc2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000737164711 598746212 /nfs/dbraw/zinc/74/62/12/598746212.db2.gz AGZFGVDLLNABPG-UHFFFAOYSA-N -1 3 387.416 0.134 20 0 GCADHM CS(=O)(=O)N1CCN(CCNc2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000737164711 598746213 /nfs/dbraw/zinc/74/62/13/598746213.db2.gz AGZFGVDLLNABPG-UHFFFAOYSA-N -1 3 387.416 0.134 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737837526 598747336 /nfs/dbraw/zinc/74/73/36/598747336.db2.gz HYEKFQSNZUPSSM-UHFFFAOYSA-N -1 3 398.423 0.776 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000738294277 598749563 /nfs/dbraw/zinc/74/95/63/598749563.db2.gz BFWZLZLXAXPZRU-JTQLQIEISA-N -1 3 390.347 0.308 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000738294277 598749565 /nfs/dbraw/zinc/74/95/65/598749565.db2.gz BFWZLZLXAXPZRU-JTQLQIEISA-N -1 3 390.347 0.308 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1 ZINC000736105907 598750392 /nfs/dbraw/zinc/75/03/92/598750392.db2.gz PSQNFMDMVIHJQD-LBPRGKRZSA-N -1 3 393.407 0.740 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1 ZINC000736105907 598750393 /nfs/dbraw/zinc/75/03/93/598750393.db2.gz PSQNFMDMVIHJQD-LBPRGKRZSA-N -1 3 393.407 0.740 20 0 GCADHM O=C(Cn1cccnc1=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737988483 598755121 /nfs/dbraw/zinc/75/51/21/598755121.db2.gz JLNIGOSXSIATAN-UHFFFAOYSA-N -1 3 381.396 0.493 20 0 GCADHM CN1C(=O)C(=O)N(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000736844262 598755694 /nfs/dbraw/zinc/75/56/94/598755694.db2.gz UMVYBUUXENILSK-UHFFFAOYSA-N -1 3 385.384 0.088 20 0 GCADHM CN(Cc1cc[nH]n1)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736812085 598756110 /nfs/dbraw/zinc/75/61/10/598756110.db2.gz BRGNVQDYCHMPCY-QGZVFWFLSA-N -1 3 381.400 0.446 20 0 GCADHM CN(Cc1cc[nH]n1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736812085 598756112 /nfs/dbraw/zinc/75/61/12/598756112.db2.gz BRGNVQDYCHMPCY-QGZVFWFLSA-N -1 3 381.400 0.446 20 0 GCADHM Cc1nc([C@@H]2CN([C@H]3CCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCO2)no1 ZINC000737473625 598760868 /nfs/dbraw/zinc/76/08/68/598760868.db2.gz FDYGWNFVSLFEEB-GJZGRUSLSA-N -1 3 396.411 0.737 20 0 GCADHM Cc1nc([C@@H]2CN([C@H]3CCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCO2)no1 ZINC000737473625 598760869 /nfs/dbraw/zinc/76/08/69/598760869.db2.gz FDYGWNFVSLFEEB-GJZGRUSLSA-N -1 3 396.411 0.737 20 0 GCADHM O=C1NCCN1[C@H]1CCCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000738291403 598761465 /nfs/dbraw/zinc/76/14/65/598761465.db2.gz UPHNDXVVYWWRBM-HOTGVXAUSA-N -1 3 396.455 0.462 20 0 GCADHM O=C(Cn1ncn2nccc2c1=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737985218 598764425 /nfs/dbraw/zinc/76/44/25/598764425.db2.gz KMTKTJAPJIHEIV-UHFFFAOYSA-N -1 3 397.424 0.650 20 0 GCADHM O=C(Cn1ncn2nccc2c1=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737985218 598764427 /nfs/dbraw/zinc/76/44/27/598764427.db2.gz KMTKTJAPJIHEIV-UHFFFAOYSA-N -1 3 397.424 0.650 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000737742906 598765343 /nfs/dbraw/zinc/76/53/43/598765343.db2.gz HRGVKVJOZKDEBJ-CYBMUJFWSA-N -1 3 378.392 0.936 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737742906 598765345 /nfs/dbraw/zinc/76/53/45/598765345.db2.gz HRGVKVJOZKDEBJ-CYBMUJFWSA-N -1 3 378.392 0.936 20 0 GCADHM COC(=O)CNC(=O)[C@H](C)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736932050 598765394 /nfs/dbraw/zinc/76/53/94/598765394.db2.gz ZDSXSFUGLYZXGA-LBPRGKRZSA-N -1 3 388.428 0.388 20 0 GCADHM COc1c(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c(C)nn1C ZINC000737022862 598765891 /nfs/dbraw/zinc/76/58/91/598765891.db2.gz DDDLPLFPUBIXCF-UHFFFAOYSA-N -1 3 383.416 0.275 20 0 GCADHM COc1c(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c(C)nn1C ZINC000737022862 598765893 /nfs/dbraw/zinc/76/58/93/598765893.db2.gz DDDLPLFPUBIXCF-UHFFFAOYSA-N -1 3 383.416 0.275 20 0 GCADHM Cc1nc(SCC(=O)NCCc2nncn2C)c(-c2nnn[n-]2)c(C)c1C ZINC000737481957 598768563 /nfs/dbraw/zinc/76/85/63/598768563.db2.gz DAANQZNDXFOKAZ-UHFFFAOYSA-N -1 3 387.473 0.766 20 0 GCADHM Cc1nc(SCC(=O)NCCc2nncn2C)c(-c2nn[n-]n2)c(C)c1C ZINC000737481957 598768564 /nfs/dbraw/zinc/76/85/64/598768564.db2.gz DAANQZNDXFOKAZ-UHFFFAOYSA-N -1 3 387.473 0.766 20 0 GCADHM O=C(CN1CCC[C@@H](N2CCCCC2=O)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737877186 598775636 /nfs/dbraw/zinc/77/56/36/598775636.db2.gz VAHOIKKQMFKYLL-QGZVFWFLSA-N -1 3 397.483 0.960 20 0 GCADHM NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737747335 598776962 /nfs/dbraw/zinc/77/69/62/598776962.db2.gz LUIRXOCLAYGWBB-UHFFFAOYSA-N -1 3 390.400 0.682 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735887541 598778506 /nfs/dbraw/zinc/77/85/06/598778506.db2.gz BSTUXOJMZWDGBR-SNVBAGLBSA-N -1 3 376.373 0.411 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735887540 598778662 /nfs/dbraw/zinc/77/86/62/598778662.db2.gz BSTUXOJMZWDGBR-JTQLQIEISA-N -1 3 376.373 0.411 20 0 GCADHM COc1c(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(C)nn1C ZINC000737024527 598779975 /nfs/dbraw/zinc/77/99/75/598779975.db2.gz SXWUSANSALVNEG-CYBMUJFWSA-N -1 3 397.395 0.880 20 0 GCADHM COc1c(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)nn1C ZINC000737024527 598779977 /nfs/dbraw/zinc/77/99/77/598779977.db2.gz SXWUSANSALVNEG-CYBMUJFWSA-N -1 3 397.395 0.880 20 0 GCADHM COc1c(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(C)nn1C ZINC000737023333 598780077 /nfs/dbraw/zinc/78/00/77/598780077.db2.gz LEPHIQUHRBBVDA-UHFFFAOYSA-N -1 3 385.384 0.390 20 0 GCADHM COc1c(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(C)nn1C ZINC000737023333 598780078 /nfs/dbraw/zinc/78/00/78/598780078.db2.gz LEPHIQUHRBBVDA-UHFFFAOYSA-N -1 3 385.384 0.390 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)[C@H](C)CC ZINC000736636141 598784009 /nfs/dbraw/zinc/78/40/09/598784009.db2.gz PAGANDMLNUMAIN-MFKMUULPSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)[C@H](C)CC ZINC000736636141 598784010 /nfs/dbraw/zinc/78/40/10/598784010.db2.gz PAGANDMLNUMAIN-MFKMUULPSA-N -1 3 376.417 0.727 20 0 GCADHM CCNC(=O)c1ccc(N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nc1 ZINC000736577994 598784903 /nfs/dbraw/zinc/78/49/03/598784903.db2.gz OBSNUZTZGDMUPT-UHFFFAOYSA-N -1 3 379.428 0.733 20 0 GCADHM CCNC(=O)c1ccc(N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nc1 ZINC000736577994 598784904 /nfs/dbraw/zinc/78/49/04/598784904.db2.gz OBSNUZTZGDMUPT-UHFFFAOYSA-N -1 3 379.428 0.733 20 0 GCADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)[C@@H](C)CS(C)(=O)=O ZINC000736501828 598792609 /nfs/dbraw/zinc/79/26/09/598792609.db2.gz GZDGQDPECTZAGP-RYUDHWBXSA-N -1 3 381.458 0.916 20 0 GCADHM CCN(C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)[C@@H](C)CS(C)(=O)=O ZINC000736501828 598792610 /nfs/dbraw/zinc/79/26/10/598792610.db2.gz GZDGQDPECTZAGP-RYUDHWBXSA-N -1 3 381.458 0.916 20 0 GCADHM Cn1ncc(NCCNc2ccc(-c3nnn[n-]3)cn2)c(Br)c1=O ZINC000737623076 598794275 /nfs/dbraw/zinc/79/42/75/598794275.db2.gz OVNFLXLDQRSCBK-UHFFFAOYSA-N -1 3 392.221 0.642 20 0 GCADHM Cn1ncc(NCCNc2ccc(-c3nn[n-]n3)cn2)c(Br)c1=O ZINC000737623076 598794277 /nfs/dbraw/zinc/79/42/77/598794277.db2.gz OVNFLXLDQRSCBK-UHFFFAOYSA-N -1 3 392.221 0.642 20 0 GCADHM c1cnc(N2CCN(CCCCNc3nccnc3-c3nnn[n-]3)CC2)nc1 ZINC000738445478 598796692 /nfs/dbraw/zinc/79/66/92/598796692.db2.gz JLYVHAMOLNZXDX-UHFFFAOYSA-N -1 3 381.448 0.461 20 0 GCADHM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736507272 598796803 /nfs/dbraw/zinc/79/68/03/598796803.db2.gz CPKCMHJASVMEMS-VIFPVBQESA-N -1 3 391.450 0.450 20 0 GCADHM CCN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@H](C)CS(C)(=O)=O ZINC000736510794 598797142 /nfs/dbraw/zinc/79/71/42/598797142.db2.gz KQZCYIPGFAFHHC-GFCCVEGCSA-N -1 3 380.474 0.238 20 0 GCADHM CCN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)[C@H](C)CS(C)(=O)=O ZINC000736510794 598797143 /nfs/dbraw/zinc/79/71/43/598797143.db2.gz KQZCYIPGFAFHHC-GFCCVEGCSA-N -1 3 380.474 0.238 20 0 GCADHM C[C@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736151208 598799815 /nfs/dbraw/zinc/79/98/15/598799815.db2.gz LQZGYAGDVZKRPI-JTQLQIEISA-N -1 3 393.425 0.562 20 0 GCADHM C[C@H](OC(=O)C1CCS(=O)(=O)CC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736151208 598799818 /nfs/dbraw/zinc/79/98/18/598799818.db2.gz LQZGYAGDVZKRPI-JTQLQIEISA-N -1 3 393.425 0.562 20 0 GCADHM COc1ccnc(N2CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737160276 598800987 /nfs/dbraw/zinc/80/09/87/598800987.db2.gz YEWXYTOVAPYKEK-UHFFFAOYSA-N -1 3 395.427 0.697 20 0 GCADHM COc1ccnc(N2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737160276 598800988 /nfs/dbraw/zinc/80/09/88/598800988.db2.gz YEWXYTOVAPYKEK-UHFFFAOYSA-N -1 3 395.427 0.697 20 0 GCADHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736160937 598801604 /nfs/dbraw/zinc/80/16/04/598801604.db2.gz AJIQACOEEFHHMP-GXFFZTMASA-N -1 3 393.425 0.058 20 0 GCADHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736160937 598801605 /nfs/dbraw/zinc/80/16/05/598801605.db2.gz AJIQACOEEFHHMP-GXFFZTMASA-N -1 3 393.425 0.058 20 0 GCADHM CCN(C(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@H](C)CS(C)(=O)=O ZINC000736506292 598802008 /nfs/dbraw/zinc/80/20/08/598802008.db2.gz STWCZZTWTKTBQA-LLVKDONJSA-N -1 3 396.477 0.138 20 0 GCADHM CCN(C(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@H](C)CS(C)(=O)=O ZINC000736506292 598802010 /nfs/dbraw/zinc/80/20/10/598802010.db2.gz STWCZZTWTKTBQA-LLVKDONJSA-N -1 3 396.477 0.138 20 0 GCADHM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(-c3nnn[n-]3)cn1)C2=O ZINC000736244826 598805731 /nfs/dbraw/zinc/80/57/31/598805731.db2.gz NZMPLTOCLPKWFT-UHFFFAOYSA-N -1 3 384.400 0.701 20 0 GCADHM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(-c3nn[n-]n3)cn1)C2=O ZINC000736244826 598805732 /nfs/dbraw/zinc/80/57/32/598805732.db2.gz NZMPLTOCLPKWFT-UHFFFAOYSA-N -1 3 384.400 0.701 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737838236 598807591 /nfs/dbraw/zinc/80/75/91/598807591.db2.gz KVEKMUFBKHMIOT-UHFFFAOYSA-N -1 3 380.368 0.530 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000737023211 598808915 /nfs/dbraw/zinc/80/89/15/598808915.db2.gz IFNJKRUBICLVCW-CYBMUJFWSA-N -1 3 384.400 0.709 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000737023211 598808916 /nfs/dbraw/zinc/80/89/16/598808916.db2.gz IFNJKRUBICLVCW-CYBMUJFWSA-N -1 3 384.400 0.709 20 0 GCADHM CN(CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(=O)C1CC1 ZINC000736782239 598811908 /nfs/dbraw/zinc/81/19/08/598811908.db2.gz JGUIHVNYIKVWGP-UHFFFAOYSA-N -1 3 384.444 0.215 20 0 GCADHM CN(CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(=O)C1CC1 ZINC000736782239 598811910 /nfs/dbraw/zinc/81/19/10/598811910.db2.gz JGUIHVNYIKVWGP-UHFFFAOYSA-N -1 3 384.444 0.215 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)cn1)Cc1ccc(O)cc1 ZINC000736890707 598812686 /nfs/dbraw/zinc/81/26/86/598812686.db2.gz CDOUCVGQKFKBLK-CYBMUJFWSA-N -1 3 382.380 0.729 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)cn1)Cc1ccc(O)cc1 ZINC000736890707 598812687 /nfs/dbraw/zinc/81/26/87/598812687.db2.gz CDOUCVGQKFKBLK-CYBMUJFWSA-N -1 3 382.380 0.729 20 0 GCADHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000736505322 598813119 /nfs/dbraw/zinc/81/31/19/598813119.db2.gz LQZJTKJLLOJGGH-LBPRGKRZSA-N -1 3 380.474 0.950 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736498468 598816344 /nfs/dbraw/zinc/81/63/44/598816344.db2.gz SOXPNBZZZZRUSC-LBPRGKRZSA-N -1 3 395.441 0.985 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736498468 598816345 /nfs/dbraw/zinc/81/63/45/598816345.db2.gz SOXPNBZZZZRUSC-LBPRGKRZSA-N -1 3 395.441 0.985 20 0 GCADHM NC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737745486 598816576 /nfs/dbraw/zinc/81/65/76/598816576.db2.gz OSCYNWYDYCJOFQ-QMMMGPOBSA-N -1 3 377.792 0.183 20 0 GCADHM NC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737745486 598816577 /nfs/dbraw/zinc/81/65/77/598816577.db2.gz OSCYNWYDYCJOFQ-QMMMGPOBSA-N -1 3 377.792 0.183 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736870574 598820073 /nfs/dbraw/zinc/82/00/73/598820073.db2.gz JQVZTBOSZACFLX-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736870574 598820075 /nfs/dbraw/zinc/82/00/75/598820075.db2.gz JQVZTBOSZACFLX-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736656566 598820381 /nfs/dbraw/zinc/82/03/81/598820381.db2.gz JQVCUXNAIBEYDJ-GFCCVEGCSA-N -1 3 380.474 0.238 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736656566 598820382 /nfs/dbraw/zinc/82/03/82/598820382.db2.gz JQVCUXNAIBEYDJ-GFCCVEGCSA-N -1 3 380.474 0.238 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000736602139 598821686 /nfs/dbraw/zinc/82/16/86/598821686.db2.gz HEWLJVYBHHQMCF-UHFFFAOYSA-N -1 3 389.347 0.934 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000736602139 598821688 /nfs/dbraw/zinc/82/16/88/598821688.db2.gz HEWLJVYBHHQMCF-UHFFFAOYSA-N -1 3 389.347 0.934 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)CSc1ccc(-c2nnn[n-]2)cn1 ZINC000736604925 598821696 /nfs/dbraw/zinc/82/16/96/598821696.db2.gz AEYXWAIJEMCDKB-UHFFFAOYSA-N -1 3 388.413 0.903 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)CSc1ccc(-c2nn[n-]n2)cn1 ZINC000736604925 598821698 /nfs/dbraw/zinc/82/16/98/598821698.db2.gz AEYXWAIJEMCDKB-UHFFFAOYSA-N -1 3 388.413 0.903 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000736171611 599296142 /nfs/dbraw/zinc/29/61/42/599296142.db2.gz XIAYSCQZVHWMEJ-JKIFEVAISA-N -1 3 386.456 0.813 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000736184278 599296447 /nfs/dbraw/zinc/29/64/47/599296447.db2.gz XPFLCHSJKRSQSJ-IJEWVQPXSA-N -1 3 386.456 0.813 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000736184278 599296448 /nfs/dbraw/zinc/29/64/48/599296448.db2.gz XPFLCHSJKRSQSJ-IJEWVQPXSA-N -1 3 386.456 0.813 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000738095518 599297136 /nfs/dbraw/zinc/29/71/36/599297136.db2.gz XOXKEXCTNQOZDK-CQSZACIVSA-N -1 3 375.408 0.622 20 0 GCADHM CC(C)(C)N1C[C@H](C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)CC1=O ZINC000735619004 599297542 /nfs/dbraw/zinc/29/75/42/599297542.db2.gz PLMNFDWZAPABPE-MRVPVSSYSA-N -1 3 376.446 0.754 20 0 GCADHM CC(C)(C)N1C[C@H](C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)CC1=O ZINC000735619004 599297545 /nfs/dbraw/zinc/29/75/45/599297545.db2.gz PLMNFDWZAPABPE-MRVPVSSYSA-N -1 3 376.446 0.754 20 0 GCADHM CC[C@H]1CN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000736406772 599298066 /nfs/dbraw/zinc/29/80/66/599298066.db2.gz BPWMQRPJGQSFMT-YOEHRIQHSA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@H]1CN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000736406772 599298068 /nfs/dbraw/zinc/29/80/68/599298068.db2.gz BPWMQRPJGQSFMT-YOEHRIQHSA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000736413665 599299126 /nfs/dbraw/zinc/29/91/26/599299126.db2.gz YOABOHQNERTLJE-GDBMZVCRSA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000736413665 599299128 /nfs/dbraw/zinc/29/91/28/599299128.db2.gz YOABOHQNERTLJE-GDBMZVCRSA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000736413668 599299211 /nfs/dbraw/zinc/29/92/11/599299211.db2.gz YOABOHQNERTLJE-GOEBONIOSA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000736413668 599299213 /nfs/dbraw/zinc/29/92/13/599299213.db2.gz YOABOHQNERTLJE-GOEBONIOSA-N -1 3 386.456 0.815 20 0 GCADHM c1cc(-c2nn[n-]n2)cc(-c2nnc(CN3CC[C@@H](N4CCOCC4)C3)o2)c1 ZINC000738405221 599300278 /nfs/dbraw/zinc/30/02/78/599300278.db2.gz NEUMTOGTETWOPF-OAHLLOKOSA-N -1 3 382.428 0.823 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000738321727 599300411 /nfs/dbraw/zinc/30/04/11/599300411.db2.gz XGXUULPXRQNXQB-JTQLQIEISA-N -1 3 383.393 0.889 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000738321727 599300412 /nfs/dbraw/zinc/30/04/12/599300412.db2.gz XGXUULPXRQNXQB-JTQLQIEISA-N -1 3 383.393 0.889 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](N3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737547285 599301910 /nfs/dbraw/zinc/30/19/10/599301910.db2.gz JVDSCAQADIJWSM-GXTWGEPZSA-N -1 3 389.460 0.810 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](N3CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000737547285 599301913 /nfs/dbraw/zinc/30/19/13/599301913.db2.gz JVDSCAQADIJWSM-GXTWGEPZSA-N -1 3 389.460 0.810 20 0 GCADHM O=C(CNC(=O)OCC(F)(F)F)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411914 607367836 /nfs/dbraw/zinc/36/78/36/607367836.db2.gz SJJLNFAHPVSPTP-UHFFFAOYSA-N -1 3 387.274 0.881 20 0 GCADHM O=C(CNC(=O)OCC(F)(F)F)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411914 607367837 /nfs/dbraw/zinc/36/78/37/607367837.db2.gz SJJLNFAHPVSPTP-UHFFFAOYSA-N -1 3 387.274 0.881 20 0 GCADHM O=C(c1nccn2ccnc12)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823498275 599312762 /nfs/dbraw/zinc/31/27/62/599312762.db2.gz JWSRWIFBRPRPGS-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM O=C(c1nccn2ccnc12)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823498275 599312765 /nfs/dbraw/zinc/31/27/65/599312765.db2.gz JWSRWIFBRPRPGS-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)c[nH]1 ZINC000737226074 599320786 /nfs/dbraw/zinc/32/07/86/599320786.db2.gz NMOMURAYMRRADY-UHFFFAOYSA-N -1 3 383.387 0.965 20 0 GCADHM O=C([C@@H](O)C1CCOCC1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737780302 599321399 /nfs/dbraw/zinc/32/13/99/599321399.db2.gz BAOHCLVIOKFTRB-KRWDZBQOSA-N -1 3 386.456 0.693 20 0 GCADHM O=C([C@@H](O)C1CCOCC1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737780302 599321402 /nfs/dbraw/zinc/32/14/02/599321402.db2.gz BAOHCLVIOKFTRB-KRWDZBQOSA-N -1 3 386.456 0.693 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736932150 599323910 /nfs/dbraw/zinc/32/39/10/599323910.db2.gz HLAPAGPFCAIXQT-UHFFFAOYSA-N -1 3 377.386 0.061 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736932150 599323912 /nfs/dbraw/zinc/32/39/12/599323912.db2.gz HLAPAGPFCAIXQT-UHFFFAOYSA-N -1 3 377.386 0.061 20 0 GCADHM O=S(=O)([C@@H]1CCOC1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738319188 599325091 /nfs/dbraw/zinc/32/50/91/599325091.db2.gz SWPGLBGRTOBIGL-CYBMUJFWSA-N -1 3 378.458 0.498 20 0 GCADHM O=S(=O)([C@@H]1CCOC1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738319188 599325094 /nfs/dbraw/zinc/32/50/94/599325094.db2.gz SWPGLBGRTOBIGL-CYBMUJFWSA-N -1 3 378.458 0.498 20 0 GCADHM O=S(=O)([C@H]1CCOC1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738320288 599325172 /nfs/dbraw/zinc/32/51/72/599325172.db2.gz WPBQWUPBKRELOF-HNNXBMFYSA-N -1 3 379.442 0.829 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820450812 599325418 /nfs/dbraw/zinc/32/54/18/599325418.db2.gz PHXVALVAHHWEBP-LLVKDONJSA-N -1 3 397.424 0.882 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-n2cnnn2)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820450812 599325420 /nfs/dbraw/zinc/32/54/20/599325420.db2.gz PHXVALVAHHWEBP-LLVKDONJSA-N -1 3 397.424 0.882 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000821691335 599335795 /nfs/dbraw/zinc/33/57/95/599335795.db2.gz QRKVOYPZZVQIRA-UHFFFAOYSA-N -1 3 386.865 0.473 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000821691335 599335798 /nfs/dbraw/zinc/33/57/98/599335798.db2.gz QRKVOYPZZVQIRA-UHFFFAOYSA-N -1 3 386.865 0.473 20 0 GCADHM O=S(=O)(CC1CCOCC1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823557988 599336892 /nfs/dbraw/zinc/33/68/92/599336892.db2.gz YBGLEMPKSBMZII-UHFFFAOYSA-N -1 3 393.473 0.140 20 0 GCADHM O=S(=O)(CC1CCOCC1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823557988 599336894 /nfs/dbraw/zinc/33/68/94/599336894.db2.gz YBGLEMPKSBMZII-UHFFFAOYSA-N -1 3 393.473 0.140 20 0 GCADHM NS(=O)(=O)c1cc(F)cc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737764462 599338479 /nfs/dbraw/zinc/33/84/79/599338479.db2.gz HIYNYDOADIGIAE-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1cc(F)cc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737764462 599338482 /nfs/dbraw/zinc/33/84/82/599338482.db2.gz HIYNYDOADIGIAE-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM CSc1nn(C)c(NC(=O)COc2ccccc2-c2nnn[n-]2)c1C(N)=O ZINC000737190316 599339620 /nfs/dbraw/zinc/33/96/20/599339620.db2.gz XXSREGVVNYQEKM-UHFFFAOYSA-N -1 3 388.413 0.439 20 0 GCADHM CSc1nn(C)c(NC(=O)COc2ccccc2-c2nn[n-]n2)c1C(N)=O ZINC000737190316 599339621 /nfs/dbraw/zinc/33/96/21/599339621.db2.gz XXSREGVVNYQEKM-UHFFFAOYSA-N -1 3 388.413 0.439 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000736187917 599348289 /nfs/dbraw/zinc/34/82/89/599348289.db2.gz KGASVTFTYXAHIG-QMMMGPOBSA-N -1 3 393.385 0.200 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000736187917 599348292 /nfs/dbraw/zinc/34/82/92/599348292.db2.gz KGASVTFTYXAHIG-QMMMGPOBSA-N -1 3 393.385 0.200 20 0 GCADHM CN([C@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821592428 599349755 /nfs/dbraw/zinc/34/97/55/599349755.db2.gz FOKBNIFYCUCPIC-KBPBESRZSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821592428 599349758 /nfs/dbraw/zinc/34/97/58/599349758.db2.gz FOKBNIFYCUCPIC-KBPBESRZSA-N -1 3 399.498 0.843 20 0 GCADHM Cn1cc(N2CCC[C@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000822680873 599352597 /nfs/dbraw/zinc/35/25/97/599352597.db2.gz QPAQQURDRBXFCA-ZDUSSCGKSA-N -1 3 388.457 0.548 20 0 GCADHM Cn1cc(N2CCC[C@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000822680873 599352598 /nfs/dbraw/zinc/35/25/98/599352598.db2.gz QPAQQURDRBXFCA-ZDUSSCGKSA-N -1 3 388.457 0.548 20 0 GCADHM Cn1cc(N2CCC[C@H](NS(=O)(=O)c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000822679306 599353060 /nfs/dbraw/zinc/35/30/60/599353060.db2.gz AIZMOOBPBIPLSX-ZDUSSCGKSA-N -1 3 388.457 0.548 20 0 GCADHM Cn1cc(N2CCC[C@H](NS(=O)(=O)c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000822679306 599353063 /nfs/dbraw/zinc/35/30/63/599353063.db2.gz AIZMOOBPBIPLSX-ZDUSSCGKSA-N -1 3 388.457 0.548 20 0 GCADHM CC[C@@H](O)CN1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000736383459 599357427 /nfs/dbraw/zinc/35/74/27/599357427.db2.gz RUXGHKUARZRLFA-TZMCWYRMSA-N -1 3 391.476 0.792 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CC[C@H](CN2CCOCC2)C1 ZINC000823601082 599359602 /nfs/dbraw/zinc/35/96/02/599359602.db2.gz QDFYJVBJDKLAFH-GFCCVEGCSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CC[C@H](CN2CCOCC2)C1 ZINC000823601082 599359604 /nfs/dbraw/zinc/35/96/04/599359604.db2.gz QDFYJVBJDKLAFH-GFCCVEGCSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823601083 599359888 /nfs/dbraw/zinc/35/98/88/599359888.db2.gz QDFYJVBJDKLAFH-LBPRGKRZSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823601083 599359890 /nfs/dbraw/zinc/35/98/90/599359890.db2.gz QDFYJVBJDKLAFH-LBPRGKRZSA-N -1 3 396.448 0.349 20 0 GCADHM C[C@@H](OC(=O)[C@@H](O)C1CCOCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736149551 599365305 /nfs/dbraw/zinc/36/53/05/599365305.db2.gz HDNOMNHFYIQVOO-YGRLFVJLSA-N -1 3 375.385 0.524 20 0 GCADHM C[C@@H](OC(=O)[C@@H](O)C1CCOCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736149551 599365308 /nfs/dbraw/zinc/36/53/08/599365308.db2.gz HDNOMNHFYIQVOO-YGRLFVJLSA-N -1 3 375.385 0.524 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H]1CN1CCOCC1 ZINC000823594516 599367828 /nfs/dbraw/zinc/36/78/28/599367828.db2.gz LMGMPPHSZDAPOC-AWEZNQCLSA-N -1 3 378.458 0.352 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1CN1CCOCC1 ZINC000823594516 599367831 /nfs/dbraw/zinc/36/78/31/599367831.db2.gz LMGMPPHSZDAPOC-AWEZNQCLSA-N -1 3 378.458 0.352 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821692228 599372048 /nfs/dbraw/zinc/37/20/48/599372048.db2.gz RLPLKAGERHBVTD-LLVKDONJSA-N -1 3 385.421 0.679 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821692228 599372049 /nfs/dbraw/zinc/37/20/49/599372049.db2.gz RLPLKAGERHBVTD-LLVKDONJSA-N -1 3 385.421 0.679 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000821692497 599372533 /nfs/dbraw/zinc/37/25/33/599372533.db2.gz ZLHLOUJJPGMYNC-NSHDSACASA-N -1 3 385.421 0.679 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1=O ZINC000443016145 599372965 /nfs/dbraw/zinc/37/29/65/599372965.db2.gz VBUFRSRXRIDGCS-KKFJDGPESA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1=O ZINC000443016145 599372967 /nfs/dbraw/zinc/37/29/67/599372967.db2.gz VBUFRSRXRIDGCS-KKFJDGPESA-N -1 3 396.860 0.808 20 0 GCADHM O=C1NCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccs1 ZINC000823547933 599373404 /nfs/dbraw/zinc/37/34/04/599373404.db2.gz QVTXFXPSFHGVJS-ZDUSSCGKSA-N -1 3 390.450 0.790 20 0 GCADHM O=C1NCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccs1 ZINC000823547933 599373408 /nfs/dbraw/zinc/37/34/08/599373408.db2.gz QVTXFXPSFHGVJS-ZDUSSCGKSA-N -1 3 390.450 0.790 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000820678316 599374089 /nfs/dbraw/zinc/37/40/89/599374089.db2.gz UZLVVWMCANMMRJ-LERXQTSPSA-N -1 3 376.442 0.295 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000820678316 599374092 /nfs/dbraw/zinc/37/40/92/599374092.db2.gz UZLVVWMCANMMRJ-LERXQTSPSA-N -1 3 376.442 0.295 20 0 GCADHM COC(=O)c1ccc(=O)n(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000821668896 599382085 /nfs/dbraw/zinc/38/20/85/599382085.db2.gz OAOCYPNGLFBUBQ-UHFFFAOYSA-N -1 3 379.336 0.913 20 0 GCADHM COC(=O)c1ccc(=O)n(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000821668896 599382088 /nfs/dbraw/zinc/38/20/88/599382088.db2.gz OAOCYPNGLFBUBQ-UHFFFAOYSA-N -1 3 379.336 0.913 20 0 GCADHM COC(=O)CCc1nnc(NC(=O)COc2ccccc2-c2nnn[n-]2)s1 ZINC000736918386 599382269 /nfs/dbraw/zinc/38/22/69/599382269.db2.gz ANVJGBLLUMVAGC-UHFFFAOYSA-N -1 3 389.397 0.841 20 0 GCADHM COC(=O)CCc1nnc(NC(=O)COc2ccccc2-c2nn[n-]n2)s1 ZINC000736918386 599382271 /nfs/dbraw/zinc/38/22/71/599382271.db2.gz ANVJGBLLUMVAGC-UHFFFAOYSA-N -1 3 389.397 0.841 20 0 GCADHM COC[C@]1(C)NC(=O)N(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1=O ZINC000821683454 599384071 /nfs/dbraw/zinc/38/40/71/599384071.db2.gz AYZCUIOMZVRLCJ-INIZCTEOSA-N -1 3 384.356 0.374 20 0 GCADHM COC[C@]1(C)NC(=O)N(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1=O ZINC000821683454 599384074 /nfs/dbraw/zinc/38/40/74/599384074.db2.gz AYZCUIOMZVRLCJ-INIZCTEOSA-N -1 3 384.356 0.374 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(C(=O)CNc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737769190 599385702 /nfs/dbraw/zinc/38/57/02/599385702.db2.gz GYJNZBBCGKSKLS-UHFFFAOYSA-N -1 3 399.436 0.515 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000737925899 599387449 /nfs/dbraw/zinc/38/74/49/599387449.db2.gz ZZGHMPUUYDXIDX-CQSZACIVSA-N -1 3 380.412 0.821 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000737925899 599387452 /nfs/dbraw/zinc/38/74/52/599387452.db2.gz ZZGHMPUUYDXIDX-CQSZACIVSA-N -1 3 380.412 0.821 20 0 GCADHM O=C(NCC[C@H](O)C(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738054628 599389590 /nfs/dbraw/zinc/38/95/90/599389590.db2.gz DMDICPKNPTXCHV-VIFPVBQESA-N -1 3 392.725 0.888 20 0 GCADHM O=C(NCC[C@H](O)C(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738054628 599389593 /nfs/dbraw/zinc/38/95/93/599389593.db2.gz DMDICPKNPTXCHV-VIFPVBQESA-N -1 3 392.725 0.888 20 0 GCADHM O=C(NCC[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738054627 599389835 /nfs/dbraw/zinc/38/98/35/599389835.db2.gz DMDICPKNPTXCHV-SECBINFHSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(NCC[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738054627 599389837 /nfs/dbraw/zinc/38/98/37/599389837.db2.gz DMDICPKNPTXCHV-SECBINFHSA-N -1 3 392.725 0.888 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000735881978 599398615 /nfs/dbraw/zinc/39/86/15/599398615.db2.gz MHUCPXURLNSYPO-UHFFFAOYSA-N -1 3 394.439 0.588 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000735881978 599398619 /nfs/dbraw/zinc/39/86/19/599398619.db2.gz MHUCPXURLNSYPO-UHFFFAOYSA-N -1 3 394.439 0.588 20 0 GCADHM O=C(NCCNC(=O)c1ccccc1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823202517 599407723 /nfs/dbraw/zinc/40/77/23/599407723.db2.gz VQASAXDAJWSZCY-UHFFFAOYSA-N -1 3 395.423 0.975 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657472 599411932 /nfs/dbraw/zinc/41/19/32/599411932.db2.gz LSGORELWNRFUKD-XHDPSFHLSA-N -1 3 395.427 0.593 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657472 599411936 /nfs/dbraw/zinc/41/19/36/599411936.db2.gz LSGORELWNRFUKD-XHDPSFHLSA-N -1 3 395.427 0.593 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822205957 599412185 /nfs/dbraw/zinc/41/21/85/599412185.db2.gz OSTBCVTYLOJQHO-CQSZACIVSA-N -1 3 395.427 0.513 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822205957 599412186 /nfs/dbraw/zinc/41/21/86/599412186.db2.gz OSTBCVTYLOJQHO-CQSZACIVSA-N -1 3 395.427 0.513 20 0 GCADHM COCCNS(=O)(=O)c1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821691472 599416374 /nfs/dbraw/zinc/41/63/74/599416374.db2.gz VVNIYNIWULLYNN-UHFFFAOYSA-N -1 3 392.441 0.674 20 0 GCADHM COCCNS(=O)(=O)c1ccc(CNCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821691472 599416377 /nfs/dbraw/zinc/41/63/77/599416377.db2.gz VVNIYNIWULLYNN-UHFFFAOYSA-N -1 3 392.441 0.674 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)NCc3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000822690448 599418515 /nfs/dbraw/zinc/41/85/15/599418515.db2.gz YYYKQTBMVUUWJM-CQSZACIVSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)NCc3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000822690448 599418518 /nfs/dbraw/zinc/41/85/18/599418518.db2.gz YYYKQTBMVUUWJM-CQSZACIVSA-N -1 3 395.427 0.595 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000821692011 599420587 /nfs/dbraw/zinc/42/05/87/599420587.db2.gz MNMNEOJPNOYPQS-CYBMUJFWSA-N -1 3 390.448 0.368 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000821692011 599420588 /nfs/dbraw/zinc/42/05/88/599420588.db2.gz MNMNEOJPNOYPQS-CYBMUJFWSA-N -1 3 390.448 0.368 20 0 GCADHM CNC(=O)C1CCC(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821631672 599425310 /nfs/dbraw/zinc/42/53/10/599425310.db2.gz PJHGHBKZBMIODD-UHFFFAOYSA-N -1 3 387.444 0.850 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824677495 607376596 /nfs/dbraw/zinc/37/65/96/607376596.db2.gz FQVUCLWGPRSFNI-IINYFYTJSA-N -1 3 389.412 0.504 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824677495 607376598 /nfs/dbraw/zinc/37/65/98/607376598.db2.gz FQVUCLWGPRSFNI-IINYFYTJSA-N -1 3 389.412 0.504 20 0 GCADHM C[C@H](NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCOC1 ZINC000820358901 599430036 /nfs/dbraw/zinc/43/00/36/599430036.db2.gz QEODDSCTBBIETA-JSGCOSHPSA-N -1 3 386.460 0.955 20 0 GCADHM C[C@H](NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCOC1 ZINC000820358901 599430038 /nfs/dbraw/zinc/43/00/38/599430038.db2.gz QEODDSCTBBIETA-JSGCOSHPSA-N -1 3 386.460 0.955 20 0 GCADHM C[C@H](NC(=O)NCCCN1CCCS1(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820364917 599430440 /nfs/dbraw/zinc/43/04/40/599430440.db2.gz GLXVKKNAPUOZAU-LBPRGKRZSA-N -1 3 393.473 0.653 20 0 GCADHM C[C@H](NC(=O)NCCCN1CCCS1(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820364917 599430441 /nfs/dbraw/zinc/43/04/41/599430441.db2.gz GLXVKKNAPUOZAU-LBPRGKRZSA-N -1 3 393.473 0.653 20 0 GCADHM O=C(COC(=O)c1cn(Cc2ccccn2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826416902 607377442 /nfs/dbraw/zinc/37/74/42/607377442.db2.gz VVNTYBRKLAFJRK-UHFFFAOYSA-N -1 3 390.363 0.941 20 0 GCADHM O=C(COC(=O)c1cn(Cc2ccccn2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826416902 607377444 /nfs/dbraw/zinc/37/74/44/607377444.db2.gz VVNTYBRKLAFJRK-UHFFFAOYSA-N -1 3 390.363 0.941 20 0 GCADHM O=C(NCCCN1CCCCC1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823192335 599437340 /nfs/dbraw/zinc/43/73/40/599437340.db2.gz XMMRLWDLONLJTO-UHFFFAOYSA-N -1 3 387.444 0.947 20 0 GCADHM Cn1cc([C@@H](O)CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822670003 599448997 /nfs/dbraw/zinc/44/89/97/599448997.db2.gz XWHPMVHXFPDFEF-CVEARBPZSA-N -1 3 382.428 0.419 20 0 GCADHM CCNS(=O)(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000736577748 599449449 /nfs/dbraw/zinc/44/94/49/599449449.db2.gz MRBLWXZLJRGWPF-UHFFFAOYSA-N -1 3 388.457 0.391 20 0 GCADHM CCNS(=O)(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000736577748 599449451 /nfs/dbraw/zinc/44/94/51/599449451.db2.gz MRBLWXZLJRGWPF-UHFFFAOYSA-N -1 3 388.457 0.391 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821578282 599452017 /nfs/dbraw/zinc/45/20/17/599452017.db2.gz WUJCWFNBVMESME-UHFFFAOYSA-N -1 3 388.432 0.254 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738179588 599452381 /nfs/dbraw/zinc/45/23/81/599452381.db2.gz XUZQLJDTTRHWOC-UHFFFAOYSA-N -1 3 391.399 0.659 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738179588 599452382 /nfs/dbraw/zinc/45/23/82/599452382.db2.gz XUZQLJDTTRHWOC-UHFFFAOYSA-N -1 3 391.399 0.659 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)C1CCOCC1 ZINC000823210979 599452532 /nfs/dbraw/zinc/45/25/32/599452532.db2.gz JFHRRINROKEDIK-HNNXBMFYSA-N -1 3 376.417 0.332 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncccn2)CC1 ZINC000823211461 599452670 /nfs/dbraw/zinc/45/26/70/599452670.db2.gz POOSSCYVKFYERQ-UHFFFAOYSA-N -1 3 395.427 0.567 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821691960 599452802 /nfs/dbraw/zinc/45/28/02/599452802.db2.gz LAOXDISMIMBTGY-AWEZNQCLSA-N -1 3 390.444 0.940 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820292805 599453312 /nfs/dbraw/zinc/45/33/12/599453312.db2.gz HKIPQWZMHZZHKJ-LLVKDONJSA-N -1 3 382.446 0.320 20 0 GCADHM O=C(NCCNC(=O)c1cccnc1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823201255 599454801 /nfs/dbraw/zinc/45/48/01/599454801.db2.gz FMKPEUQSZLBLGW-UHFFFAOYSA-N -1 3 396.411 0.370 20 0 GCADHM COCC(=O)N1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821680203 599458660 /nfs/dbraw/zinc/45/86/60/599458660.db2.gz BQXJTOXSRFBVSD-UHFFFAOYSA-N -1 3 377.380 0.006 20 0 GCADHM COCC(=O)N1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821680203 599458662 /nfs/dbraw/zinc/45/86/62/599458662.db2.gz BQXJTOXSRFBVSD-UHFFFAOYSA-N -1 3 377.380 0.006 20 0 GCADHM CS(=O)(=O)N1CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821933211 599459605 /nfs/dbraw/zinc/45/96/05/599459605.db2.gz XMSJNUOLSPAGFG-UHFFFAOYSA-N -1 3 397.436 0.183 20 0 GCADHM CS(=O)(=O)N1CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821933211 599459606 /nfs/dbraw/zinc/45/96/06/599459606.db2.gz XMSJNUOLSPAGFG-UHFFFAOYSA-N -1 3 397.436 0.183 20 0 GCADHM CC(C)(C)C(=O)C=c1[nH]c(=O)c(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000735586993 599460470 /nfs/dbraw/zinc/46/04/70/599460470.db2.gz OYRPXIGKAUKHQS-UHFFFAOYSA-N -1 3 395.448 0.901 20 0 GCADHM CC(C)(C)C(=O)C=c1[nH]c(=O)c(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)s1 ZINC000735586993 599460472 /nfs/dbraw/zinc/46/04/72/599460472.db2.gz OYRPXIGKAUKHQS-UHFFFAOYSA-N -1 3 395.448 0.901 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCC(N2CCNC2=O)CC1 ZINC000823235039 599462625 /nfs/dbraw/zinc/46/26/25/599462625.db2.gz QTDJVQPZOOCFHV-UHFFFAOYSA-N -1 3 388.407 0.705 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCC(N2CCNC2=O)CC1 ZINC000823235039 599462627 /nfs/dbraw/zinc/46/26/27/599462627.db2.gz QTDJVQPZOOCFHV-UHFFFAOYSA-N -1 3 388.407 0.705 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819883713 599462793 /nfs/dbraw/zinc/46/27/93/599462793.db2.gz LDCGDULSASGNIE-UWVGGRQHSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819883713 599462797 /nfs/dbraw/zinc/46/27/97/599462797.db2.gz LDCGDULSASGNIE-UWVGGRQHSA-N -1 3 384.437 0.969 20 0 GCADHM CCc1nncn1CCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821553786 599468917 /nfs/dbraw/zinc/46/89/17/599468917.db2.gz KBDNHJLBWFHXPH-UHFFFAOYSA-N -1 3 396.459 0.552 20 0 GCADHM CCc1nncn1CCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821553786 599468920 /nfs/dbraw/zinc/46/89/20/599468920.db2.gz KBDNHJLBWFHXPH-UHFFFAOYSA-N -1 3 396.459 0.552 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000735736643 599469342 /nfs/dbraw/zinc/46/93/42/599469342.db2.gz YGQJLVQAAVQKDE-UGSOOPFHSA-N -1 3 399.411 0.081 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000735736643 599469343 /nfs/dbraw/zinc/46/93/43/599469343.db2.gz YGQJLVQAAVQKDE-UGSOOPFHSA-N -1 3 399.411 0.081 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cccc(-n2cccn2)n1 ZINC000738082249 599471166 /nfs/dbraw/zinc/47/11/66/599471166.db2.gz KDUIMTDKENVIML-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cccc(-n2cccn2)n1 ZINC000738082249 599471168 /nfs/dbraw/zinc/47/11/68/599471168.db2.gz KDUIMTDKENVIML-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCN(C)S(C)(=O)=O ZINC000822334928 599471556 /nfs/dbraw/zinc/47/15/56/599471556.db2.gz HYJWICUDPOAFIJ-UHFFFAOYSA-N -1 3 375.458 0.839 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCCN(C)S(C)(=O)=O ZINC000822334928 599471558 /nfs/dbraw/zinc/47/15/58/599471558.db2.gz HYJWICUDPOAFIJ-UHFFFAOYSA-N -1 3 375.458 0.839 20 0 GCADHM CCc1c(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)[nH]c(C)c1C(N)=O ZINC000825687313 607381141 /nfs/dbraw/zinc/38/11/41/607381141.db2.gz GDRKRQRULZFQGO-UHFFFAOYSA-N -1 3 397.395 0.960 20 0 GCADHM CCc1c(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)[nH]c(C)c1C(N)=O ZINC000825687313 607381142 /nfs/dbraw/zinc/38/11/42/607381142.db2.gz GDRKRQRULZFQGO-UHFFFAOYSA-N -1 3 397.395 0.960 20 0 GCADHM C[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820341281 599482976 /nfs/dbraw/zinc/48/29/76/599482976.db2.gz PHHAIRRPFVVWBH-GXFFZTMASA-N -1 3 379.446 0.261 20 0 GCADHM C[C@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820341281 599482978 /nfs/dbraw/zinc/48/29/78/599482978.db2.gz PHHAIRRPFVVWBH-GXFFZTMASA-N -1 3 379.446 0.261 20 0 GCADHM Cn1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cc1=O ZINC000822685140 599491095 /nfs/dbraw/zinc/49/10/95/599491095.db2.gz 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C[C@H](NC(=O)COCC(=O)NCc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329516 599504469 /nfs/dbraw/zinc/50/44/69/599504469.db2.gz XADIAOLCAKJCCZ-ZDUSSCGKSA-N -1 3 395.423 0.772 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCNc1cnccn1 ZINC000736635360 599510660 /nfs/dbraw/zinc/51/06/60/599510660.db2.gz MRSRMKAGDDTKSC-UHFFFAOYSA-N -1 3 397.399 0.222 20 0 GCADHM CCOC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000736595741 599510990 /nfs/dbraw/zinc/51/09/90/599510990.db2.gz MOPSERLLAPVNOH-UHFFFAOYSA-N -1 3 376.373 0.273 20 0 GCADHM CCOC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000736595741 599510992 /nfs/dbraw/zinc/51/09/92/599510992.db2.gz MOPSERLLAPVNOH-UHFFFAOYSA-N -1 3 376.373 0.273 20 0 GCADHM CCc1nnc2n1C[C@H](Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC2 ZINC000821554963 599511322 /nfs/dbraw/zinc/51/13/22/599511322.db2.gz WKGVSIZZLLKEBT-SECBINFHSA-N -1 3 389.445 0.095 20 0 GCADHM CCc1nnc2n1C[C@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC2 ZINC000821554963 599511326 /nfs/dbraw/zinc/51/13/26/599511326.db2.gz WKGVSIZZLLKEBT-SECBINFHSA-N -1 3 389.445 0.095 20 0 GCADHM O=C(NCc1ccc(CO)c(F)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738102744 599512921 /nfs/dbraw/zinc/51/29/21/599512921.db2.gz BVBSWZRQNPXXQT-UHFFFAOYSA-N -1 3 388.334 0.892 20 0 GCADHM O=C(NCc1ccc(CO)c(F)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738102744 599512923 /nfs/dbraw/zinc/51/29/23/599512923.db2.gz BVBSWZRQNPXXQT-UHFFFAOYSA-N -1 3 388.334 0.892 20 0 GCADHM O=C(NCCn1cnc2ccccc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738094835 599512945 /nfs/dbraw/zinc/51/29/45/599512945.db2.gz MBWRIDCDLAPHSX-UHFFFAOYSA-N -1 3 376.380 0.971 20 0 GCADHM O=C(NCCn1cnc2ccccc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738094835 599512946 /nfs/dbraw/zinc/51/29/46/599512946.db2.gz MBWRIDCDLAPHSX-UHFFFAOYSA-N -1 3 376.380 0.971 20 0 GCADHM CCCOC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000736488427 599512977 /nfs/dbraw/zinc/51/29/77/599512977.db2.gz PEVVVZKEJXUEJK-UHFFFAOYSA-N -1 3 376.373 0.273 20 0 GCADHM CCCOC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000736488427 599512979 /nfs/dbraw/zinc/51/29/79/599512979.db2.gz PEVVVZKEJXUEJK-UHFFFAOYSA-N -1 3 376.373 0.273 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736224004 599516073 /nfs/dbraw/zinc/51/60/73/599516073.db2.gz KXILTCOHZKUGDZ-IFMBPYNJSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736224004 599516075 /nfs/dbraw/zinc/51/60/75/599516075.db2.gz KXILTCOHZKUGDZ-IFMBPYNJSA-N -1 3 396.860 0.827 20 0 GCADHM CCS(=O)(=O)NCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821442865 599516663 /nfs/dbraw/zinc/51/66/63/599516663.db2.gz WLGPULXHFLHSFL-UHFFFAOYSA-N -1 3 383.384 0.466 20 0 GCADHM CCS(=O)(=O)NCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821442865 599516666 /nfs/dbraw/zinc/51/66/66/599516666.db2.gz WLGPULXHFLHSFL-UHFFFAOYSA-N -1 3 383.384 0.466 20 0 GCADHM CN(CCNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000821602840 599518937 /nfs/dbraw/zinc/51/89/37/599518937.db2.gz XNYRVDOSDJXVBK-UHFFFAOYSA-N -1 3 397.461 0.793 20 0 GCADHM CN(CCNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000821602840 599518938 /nfs/dbraw/zinc/51/89/38/599518938.db2.gz XNYRVDOSDJXVBK-UHFFFAOYSA-N -1 3 397.461 0.793 20 0 GCADHM Cc1ccn(-c2ccc(N3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)nn2)n1 ZINC000737436592 599520782 /nfs/dbraw/zinc/52/07/82/599520782.db2.gz OZGDFWJDDLQMFF-UHFFFAOYSA-N -1 3 389.427 0.872 20 0 GCADHM Cc1ccn(-c2ccc(N3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)nn2)n1 ZINC000737436592 599520784 /nfs/dbraw/zinc/52/07/84/599520784.db2.gz OZGDFWJDDLQMFF-UHFFFAOYSA-N -1 3 389.427 0.872 20 0 GCADHM C[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1cccc(-c2nnn[n-]2)c1 ZINC000820322690 599528773 /nfs/dbraw/zinc/52/87/73/599528773.db2.gz UHNVCHIWJOFTFL-LLVKDONJSA-N -1 3 399.436 0.542 20 0 GCADHM C[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1cccc(-c2nn[n-]n2)c1 ZINC000820322690 599528775 /nfs/dbraw/zinc/52/87/75/599528775.db2.gz UHNVCHIWJOFTFL-LLVKDONJSA-N -1 3 399.436 0.542 20 0 GCADHM c1cnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(-c2nnn[n-]2)c1 ZINC000738445622 599538465 /nfs/dbraw/zinc/53/84/65/599538465.db2.gz KQBFVCLJUQFWBF-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM c1cnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c(-c2nn[n-]n2)c1 ZINC000738445622 599538466 /nfs/dbraw/zinc/53/84/66/599538466.db2.gz KQBFVCLJUQFWBF-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000826251218 607382981 /nfs/dbraw/zinc/38/29/81/607382981.db2.gz IURGIDZWMGXJAD-UHFFFAOYSA-N -1 3 386.290 0.720 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000826251218 607382983 /nfs/dbraw/zinc/38/29/83/607382983.db2.gz IURGIDZWMGXJAD-UHFFFAOYSA-N -1 3 386.290 0.720 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328631 599552522 /nfs/dbraw/zinc/55/25/22/599552522.db2.gz PYVBLMDRSVCTEW-FZMZJTMJSA-N -1 3 378.458 0.163 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328631 599552523 /nfs/dbraw/zinc/55/25/23/599552523.db2.gz PYVBLMDRSVCTEW-FZMZJTMJSA-N -1 3 378.458 0.163 20 0 GCADHM CN1CC[C@@H](NC(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736853867 599558995 /nfs/dbraw/zinc/55/89/95/599558995.db2.gz AXPSEMQQIDCSHD-CQSZACIVSA-N -1 3 382.380 0.999 20 0 GCADHM CN1CC[C@@H](NC(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736853867 599558997 /nfs/dbraw/zinc/55/89/97/599558997.db2.gz AXPSEMQQIDCSHD-CQSZACIVSA-N -1 3 382.380 0.999 20 0 GCADHM CN(C)C(=O)N1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000821578262 599559724 /nfs/dbraw/zinc/55/97/24/599559724.db2.gz VVNHAWXQZMIQMC-UHFFFAOYSA-N -1 3 383.416 0.716 20 0 GCADHM CN(C)C(=O)N1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000821578262 599559726 /nfs/dbraw/zinc/55/97/26/599559726.db2.gz VVNHAWXQZMIQMC-UHFFFAOYSA-N -1 3 383.416 0.716 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cnn(-c2ccc(F)cc2)n1 ZINC000738083224 599565707 /nfs/dbraw/zinc/56/57/07/599565707.db2.gz QYSCECCBAMPIDC-UHFFFAOYSA-N -1 3 394.374 0.823 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cnn(-c2ccc(F)cc2)n1 ZINC000738083224 599565708 /nfs/dbraw/zinc/56/57/08/599565708.db2.gz QYSCECCBAMPIDC-UHFFFAOYSA-N -1 3 394.374 0.823 20 0 GCADHM C[C@@](O)(CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)c1cccs1 ZINC000820468051 599568155 /nfs/dbraw/zinc/56/81/55/599568155.db2.gz PUCQWGKOAXFSJZ-CQSZACIVSA-N -1 3 380.455 0.895 20 0 GCADHM C[C@@](O)(CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)c1cccs1 ZINC000820468051 599568156 /nfs/dbraw/zinc/56/81/56/599568156.db2.gz PUCQWGKOAXFSJZ-CQSZACIVSA-N -1 3 380.455 0.895 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000735736711 599570540 /nfs/dbraw/zinc/57/05/40/599570540.db2.gz YUNHNIIPYTVHTQ-WFASDCNBSA-N -1 3 393.469 0.916 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000735736711 599570543 /nfs/dbraw/zinc/57/05/43/599570543.db2.gz YUNHNIIPYTVHTQ-WFASDCNBSA-N -1 3 393.469 0.916 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000735736709 599570719 /nfs/dbraw/zinc/57/07/19/599570719.db2.gz YUNHNIIPYTVHTQ-SWLSCSKDSA-N -1 3 393.469 0.916 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000735736709 599570721 /nfs/dbraw/zinc/57/07/21/599570721.db2.gz YUNHNIIPYTVHTQ-SWLSCSKDSA-N -1 3 393.469 0.916 20 0 GCADHM C[C@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736278732 599571703 /nfs/dbraw/zinc/57/17/03/599571703.db2.gz HVOJKXBMEDENFK-NSHDSACASA-N -1 3 381.483 0.745 20 0 GCADHM C[C@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736278732 599571704 /nfs/dbraw/zinc/57/17/04/599571704.db2.gz HVOJKXBMEDENFK-NSHDSACASA-N -1 3 381.483 0.745 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820642202 599575138 /nfs/dbraw/zinc/57/51/38/599575138.db2.gz GSXJEDGWMVVVGE-QWRGUYRKSA-N -1 3 389.441 0.924 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820642202 599575140 /nfs/dbraw/zinc/57/51/40/599575140.db2.gz GSXJEDGWMVVVGE-QWRGUYRKSA-N -1 3 389.441 0.924 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737739805 599576145 /nfs/dbraw/zinc/57/61/45/599576145.db2.gz RAXYCIVQLQFJAM-FMKPAKJESA-N -1 3 383.456 0.996 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000737740963 599576876 /nfs/dbraw/zinc/57/68/76/599576876.db2.gz BRFBRTLPZQABQR-VXGBXAGGSA-N -1 3 395.427 0.409 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000737740963 599576879 /nfs/dbraw/zinc/57/68/79/599576879.db2.gz BRFBRTLPZQABQR-VXGBXAGGSA-N -1 3 395.427 0.409 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000821931773 599576983 /nfs/dbraw/zinc/57/69/83/599576983.db2.gz HGCFENOVAYJPNN-GFCCVEGCSA-N -1 3 390.429 0.040 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000821931773 599576985 /nfs/dbraw/zinc/57/69/85/599576985.db2.gz HGCFENOVAYJPNN-GFCCVEGCSA-N -1 3 390.429 0.040 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)C1 ZINC000823547919 599577028 /nfs/dbraw/zinc/57/70/28/599577028.db2.gz QNBMDURSYOZBDY-CQSZACIVSA-N -1 3 395.427 0.906 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)C1 ZINC000823547919 599577031 /nfs/dbraw/zinc/57/70/31/599577031.db2.gz QNBMDURSYOZBDY-CQSZACIVSA-N -1 3 395.427 0.906 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000737740959 599577297 /nfs/dbraw/zinc/57/72/97/599577297.db2.gz BRFBRTLPZQABQR-RYUDHWBXSA-N -1 3 395.427 0.409 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000737740959 599577300 /nfs/dbraw/zinc/57/73/00/599577300.db2.gz BRFBRTLPZQABQR-RYUDHWBXSA-N -1 3 395.427 0.409 20 0 GCADHM CN(C[C@@H]1CCCO1)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736791019 599577938 /nfs/dbraw/zinc/57/79/38/599577938.db2.gz KUOIGCMMRVDNQW-KBXCAEBGSA-N -1 3 385.428 0.702 20 0 GCADHM CN(C[C@@H]1CCCO1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736791019 599577941 /nfs/dbraw/zinc/57/79/41/599577941.db2.gz KUOIGCMMRVDNQW-KBXCAEBGSA-N -1 3 385.428 0.702 20 0 GCADHM CN(C)S(=O)(=O)c1cnn(CN(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736822321 599577972 /nfs/dbraw/zinc/57/79/72/599577972.db2.gz LOICNJZLALBXJV-UHFFFAOYSA-N -1 3 376.446 0.403 20 0 GCADHM CN(C)S(=O)(=O)c1cnn(CN(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736822321 599577976 /nfs/dbraw/zinc/57/79/76/599577976.db2.gz LOICNJZLALBXJV-UHFFFAOYSA-N -1 3 376.446 0.403 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)CCCO1 ZINC000736289313 599578256 /nfs/dbraw/zinc/57/82/56/599578256.db2.gz WCBOCDCRVXYLKS-CYBMUJFWSA-N -1 3 385.428 0.699 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)CCCO1 ZINC000736289313 599578259 /nfs/dbraw/zinc/57/82/59/599578259.db2.gz WCBOCDCRVXYLKS-CYBMUJFWSA-N -1 3 385.428 0.699 20 0 GCADHM CN(C[C@@H]1CCCO1)CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736791342 599578271 /nfs/dbraw/zinc/57/82/71/599578271.db2.gz LOUFVWMVIHOOID-HNNXBMFYSA-N -1 3 385.428 0.699 20 0 GCADHM c1cn(CN2CCO[C@H](Cn3cncn3)C2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738448965 599582567 /nfs/dbraw/zinc/58/25/67/599582567.db2.gz CCCPOCOYMFEJQW-INIZCTEOSA-N -1 3 392.427 0.680 20 0 GCADHM c1cn(CN2CCO[C@H](Cn3cncn3)C2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738448965 599582569 /nfs/dbraw/zinc/58/25/69/599582569.db2.gz CCCPOCOYMFEJQW-INIZCTEOSA-N -1 3 392.427 0.680 20 0 GCADHM COC(=O)[C@H]1Cc2ccccc2CN1C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821657529 607385107 /nfs/dbraw/zinc/38/51/07/607385107.db2.gz PIXPRRRZRDHLID-BLLLJJGKSA-N -1 3 394.439 0.705 20 0 GCADHM COC(=O)[C@H]1Cc2ccccc2CN1C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821657529 607385109 /nfs/dbraw/zinc/38/51/09/607385109.db2.gz PIXPRRRZRDHLID-BLLLJJGKSA-N -1 3 394.439 0.705 20 0 GCADHM C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCS1(=O)=O ZINC000736290036 599583364 /nfs/dbraw/zinc/58/33/64/599583364.db2.gz ZERNJPQTXDXSJL-SECBINFHSA-N -1 3 384.849 0.578 20 0 GCADHM C[C@@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCS1(=O)=O ZINC000736290036 599583365 /nfs/dbraw/zinc/58/33/65/599583365.db2.gz ZERNJPQTXDXSJL-SECBINFHSA-N -1 3 384.849 0.578 20 0 GCADHM O=C(CN1CCNC(=O)[C@@H]1c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737883064 599587440 /nfs/dbraw/zinc/58/74/40/599587440.db2.gz OPSVLMXYIHSGSU-SFHVURJKSA-N -1 3 391.435 0.656 20 0 GCADHM O=C(CN1CCNC(=O)[C@@H]1c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737883064 599587441 /nfs/dbraw/zinc/58/74/41/599587441.db2.gz OPSVLMXYIHSGSU-SFHVURJKSA-N -1 3 391.435 0.656 20 0 GCADHM O=C1NCCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)[C@@H]1c1ccccc1 ZINC000738316000 599587711 /nfs/dbraw/zinc/58/77/11/599587711.db2.gz OEOZCNGWYYLAHW-SJLPKXTDSA-N -1 3 394.435 0.780 20 0 GCADHM O=C(CN1CCNC(=O)[C@@H]1c1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737884913 599587755 /nfs/dbraw/zinc/58/77/55/599587755.db2.gz XUKHFYBVNKCZKD-KRWDZBQOSA-N -1 3 377.408 0.978 20 0 GCADHM O=C(CN1CCNC(=O)[C@@H]1c1ccccc1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737884913 599587756 /nfs/dbraw/zinc/58/77/56/599587756.db2.gz XUKHFYBVNKCZKD-KRWDZBQOSA-N -1 3 377.408 0.978 20 0 GCADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCSC[C@@H]3C)CC2)o1 ZINC000737466951 599592687 /nfs/dbraw/zinc/59/26/87/599592687.db2.gz IMJFAAXJFSZUHW-NSHDSACASA-N -1 3 392.489 0.249 20 0 GCADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCSC[C@@H]3C)CC2)o1 ZINC000737466951 599592690 /nfs/dbraw/zinc/59/26/90/599592690.db2.gz IMJFAAXJFSZUHW-NSHDSACASA-N -1 3 392.489 0.249 20 0 GCADHM COC(=O)[C@H]1Cc2ccccc2CN1C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000821657531 607385812 /nfs/dbraw/zinc/38/58/12/607385812.db2.gz PIXPRRRZRDHLID-MLGOLLRUSA-N -1 3 394.439 0.705 20 0 GCADHM COC(=O)[C@H]1Cc2ccccc2CN1C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821657531 607385813 /nfs/dbraw/zinc/38/58/13/607385813.db2.gz PIXPRRRZRDHLID-MLGOLLRUSA-N -1 3 394.439 0.705 20 0 GCADHM CC(=O)NCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819810437 599596007 /nfs/dbraw/zinc/59/60/07/599596007.db2.gz JVSGRFXAPCHIBW-UHFFFAOYSA-N -1 3 385.306 0.076 20 0 GCADHM CC(=O)NCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819810437 599596008 /nfs/dbraw/zinc/59/60/08/599596008.db2.gz JVSGRFXAPCHIBW-UHFFFAOYSA-N -1 3 385.306 0.076 20 0 GCADHM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821575597 599596361 /nfs/dbraw/zinc/59/63/61/599596361.db2.gz IICBIIFCCQWKAQ-UHFFFAOYSA-N -1 3 385.306 0.028 20 0 GCADHM CN(C)C(=O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821575597 599596363 /nfs/dbraw/zinc/59/63/63/599596363.db2.gz IICBIIFCCQWKAQ-UHFFFAOYSA-N -1 3 385.306 0.028 20 0 GCADHM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821277232 599596612 /nfs/dbraw/zinc/59/66/12/599596612.db2.gz SFZOTSLXGDOROU-ZETCQYMHSA-N -1 3 399.333 0.465 20 0 GCADHM CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821277232 599596614 /nfs/dbraw/zinc/59/66/14/599596614.db2.gz SFZOTSLXGDOROU-ZETCQYMHSA-N -1 3 399.333 0.465 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000821319594 599599614 /nfs/dbraw/zinc/59/96/14/599599614.db2.gz FFQPUIDGLLKEHF-LBPRGKRZSA-N -1 3 386.412 0.915 20 0 GCADHM CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000821319594 599599615 /nfs/dbraw/zinc/59/96/15/599599615.db2.gz FFQPUIDGLLKEHF-LBPRGKRZSA-N -1 3 386.412 0.915 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2cccs2)c1-c1nnn[n-]1 ZINC000822319377 599601407 /nfs/dbraw/zinc/60/14/07/599601407.db2.gz PQVYAXNTKJKWBC-UHFFFAOYSA-N -1 3 399.436 0.721 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2cccs2)c1-c1nn[n-]n1 ZINC000822319377 599601409 /nfs/dbraw/zinc/60/14/09/599601409.db2.gz PQVYAXNTKJKWBC-UHFFFAOYSA-N -1 3 399.436 0.721 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCCCC2)c1-c1nnn[n-]1 ZINC000822319217 599601750 /nfs/dbraw/zinc/60/17/50/599601750.db2.gz NIRSLCUCDLWAOP-UHFFFAOYSA-N -1 3 385.428 0.632 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCCCC2)c1-c1nn[n-]n1 ZINC000822319217 599601752 /nfs/dbraw/zinc/60/17/52/599601752.db2.gz NIRSLCUCDLWAOP-UHFFFAOYSA-N -1 3 385.428 0.632 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)CCC1=O ZINC000736845798 599602984 /nfs/dbraw/zinc/60/29/84/599602984.db2.gz NEGLSGQBHYSFRB-ZDUSSCGKSA-N -1 3 384.444 0.319 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)CCC1=O ZINC000736845798 599602986 /nfs/dbraw/zinc/60/29/86/599602986.db2.gz NEGLSGQBHYSFRB-ZDUSSCGKSA-N -1 3 384.444 0.319 20 0 GCADHM CN1CC[C@@H](NC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000736858420 599603014 /nfs/dbraw/zinc/60/30/14/599603014.db2.gz WZWNDQFNQDASQH-OAHLLOKOSA-N -1 3 385.428 0.650 20 0 GCADHM Cn1cc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000822679611 599603319 /nfs/dbraw/zinc/60/33/19/599603319.db2.gz HNQRNXZKYCQTEI-UHFFFAOYSA-N -1 3 394.317 0.874 20 0 GCADHM Cn1cc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000822679611 599603320 /nfs/dbraw/zinc/60/33/20/599603320.db2.gz HNQRNXZKYCQTEI-UHFFFAOYSA-N -1 3 394.317 0.874 20 0 GCADHM Cn1nccc1C1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737628104 599604306 /nfs/dbraw/zinc/60/43/06/599604306.db2.gz NUTAQAQMCIJOAW-UHFFFAOYSA-N -1 3 394.439 0.736 20 0 GCADHM Cn1nccc1C1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737628104 599604307 /nfs/dbraw/zinc/60/43/07/599604307.db2.gz NUTAQAQMCIJOAW-UHFFFAOYSA-N -1 3 394.439 0.736 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)c1-c1nnn[n-]1 ZINC000822314562 599604654 /nfs/dbraw/zinc/60/46/54/599604654.db2.gz VKIGIZNXFFYEBA-GFCCVEGCSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](CCC(N)=O)C2)c1-c1nn[n-]n1 ZINC000822314562 599604656 /nfs/dbraw/zinc/60/46/56/599604656.db2.gz VKIGIZNXFFYEBA-GFCCVEGCSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCN2CCCCC2=O)c1-c1nnn[n-]1 ZINC000822318889 599604724 /nfs/dbraw/zinc/60/47/24/599604724.db2.gz ALXZKBQEKVSIEU-UHFFFAOYSA-N -1 3 385.428 0.632 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCN2CCCCC2=O)c1-c1nn[n-]n1 ZINC000822318889 599604726 /nfs/dbraw/zinc/60/47/26/599604726.db2.gz ALXZKBQEKVSIEU-UHFFFAOYSA-N -1 3 385.428 0.632 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)CC2 ZINC000821654059 599605174 /nfs/dbraw/zinc/60/51/74/599605174.db2.gz SHTVGBFILGDPCA-LBPRGKRZSA-N -1 3 398.423 0.915 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)CC2 ZINC000821654059 599605176 /nfs/dbraw/zinc/60/51/76/599605176.db2.gz SHTVGBFILGDPCA-LBPRGKRZSA-N -1 3 398.423 0.915 20 0 GCADHM O=C(COC(=O)c1ccnc(-n2cncn2)c1)Nc1sccc1-c1nnn[n-]1 ZINC000737911006 599606417 /nfs/dbraw/zinc/60/64/17/599606417.db2.gz KZODLBRNIVCIBT-UHFFFAOYSA-N -1 3 397.380 0.699 20 0 GCADHM O=C(COC(=O)c1ccnc(-n2cncn2)c1)Nc1sccc1-c1nn[n-]n1 ZINC000737911006 599606419 /nfs/dbraw/zinc/60/64/19/599606419.db2.gz KZODLBRNIVCIBT-UHFFFAOYSA-N -1 3 397.380 0.699 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccnc2)c1-c1nnn[n-]1 ZINC000822313364 599607727 /nfs/dbraw/zinc/60/77/27/599607727.db2.gz MEHKFARXOSHLNX-UHFFFAOYSA-N -1 3 380.368 0.264 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccnc2)c1-c1nn[n-]n1 ZINC000822313364 599607728 /nfs/dbraw/zinc/60/77/28/599607728.db2.gz MEHKFARXOSHLNX-UHFFFAOYSA-N -1 3 380.368 0.264 20 0 GCADHM CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820026420 599608255 /nfs/dbraw/zinc/60/82/55/599608255.db2.gz JZJAQQJUDMJSIH-NSHDSACASA-N -1 3 386.334 0.957 20 0 GCADHM CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820026420 599608256 /nfs/dbraw/zinc/60/82/56/599608256.db2.gz JZJAQQJUDMJSIH-NSHDSACASA-N -1 3 386.334 0.957 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000821400852 599608705 /nfs/dbraw/zinc/60/87/05/599608705.db2.gz QMFWQDKXWMPRIU-AAEUAGOBSA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H](O)C1 ZINC000821400852 599608707 /nfs/dbraw/zinc/60/87/07/599608707.db2.gz QMFWQDKXWMPRIU-AAEUAGOBSA-N -1 3 388.428 0.871 20 0 GCADHM COCCCOC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821687573 599608827 /nfs/dbraw/zinc/60/88/27/599608827.db2.gz FTTYEAUOGJIXIH-UHFFFAOYSA-N -1 3 388.428 0.849 20 0 GCADHM COCCCOC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821687573 599608829 /nfs/dbraw/zinc/60/88/29/599608829.db2.gz FTTYEAUOGJIXIH-UHFFFAOYSA-N -1 3 388.428 0.849 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCOC[C@H]2CCOC2)c1-c1nnn[n-]1 ZINC000822318912 599609001 /nfs/dbraw/zinc/60/90/01/599609001.db2.gz BGUBGLCNTWLITP-CYBMUJFWSA-N -1 3 388.428 0.673 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCOC[C@H]2CCOC2)c1-c1nn[n-]n1 ZINC000822318912 599609003 /nfs/dbraw/zinc/60/90/03/599609003.db2.gz BGUBGLCNTWLITP-CYBMUJFWSA-N -1 3 388.428 0.673 20 0 GCADHM COC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000821684571 599610187 /nfs/dbraw/zinc/61/01/87/599610187.db2.gz DCIADROMSJNLTK-SNVBAGLBSA-N -1 3 380.792 0.332 20 0 GCADHM COC[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000821684571 599610189 /nfs/dbraw/zinc/61/01/89/599610189.db2.gz DCIADROMSJNLTK-SNVBAGLBSA-N -1 3 380.792 0.332 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H]1CCOC1 ZINC000820315601 599611238 /nfs/dbraw/zinc/61/12/38/599611238.db2.gz ONYAPWSYJUDUPA-SCZZXKLOSA-N -1 3 396.354 0.948 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H]1CCOC1 ZINC000820315601 599611239 /nfs/dbraw/zinc/61/12/39/599611239.db2.gz ONYAPWSYJUDUPA-SCZZXKLOSA-N -1 3 396.354 0.948 20 0 GCADHM CCn1cc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000821565449 599611740 /nfs/dbraw/zinc/61/17/40/599611740.db2.gz UABXPRNQUJRMRV-UHFFFAOYSA-N -1 3 397.395 0.182 20 0 GCADHM CCOc1ncccc1NC(=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821436896 599611802 /nfs/dbraw/zinc/61/18/02/599611802.db2.gz HHNLXQFJUORMMD-UHFFFAOYSA-N -1 3 397.395 0.794 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCn2ccnc2C1 ZINC000738031227 599613651 /nfs/dbraw/zinc/61/36/51/599613651.db2.gz AVQSDIAWJNOYFW-UHFFFAOYSA-N -1 3 394.443 0.652 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCn2ccnc2C1 ZINC000738031227 599613653 /nfs/dbraw/zinc/61/36/53/599613653.db2.gz AVQSDIAWJNOYFW-UHFFFAOYSA-N -1 3 394.443 0.652 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1-c1nnn[n-]1 ZINC000822312673 599616734 /nfs/dbraw/zinc/61/67/34/599616734.db2.gz HIKDQGYLIBUKNB-LBPRGKRZSA-N -1 3 381.400 0.569 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)c1-c1nn[n-]n1 ZINC000822312673 599616735 /nfs/dbraw/zinc/61/67/35/599616735.db2.gz HIKDQGYLIBUKNB-LBPRGKRZSA-N -1 3 381.400 0.569 20 0 GCADHM O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738040928 599616829 /nfs/dbraw/zinc/61/68/29/599616829.db2.gz VBWMADWDVHZFHM-UHFFFAOYSA-N -1 3 378.392 0.451 20 0 GCADHM O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738040928 599616831 /nfs/dbraw/zinc/61/68/31/599616831.db2.gz VBWMADWDVHZFHM-UHFFFAOYSA-N -1 3 378.392 0.451 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000737738527 599616897 /nfs/dbraw/zinc/61/68/97/599616897.db2.gz JPNGUXUKUQRWCR-RKDXNWHRSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000737738527 599616899 /nfs/dbraw/zinc/61/68/99/599616899.db2.gz JPNGUXUKUQRWCR-RKDXNWHRSA-N -1 3 391.819 0.619 20 0 GCADHM CC(=O)N1CCC[C@H]1C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819796531 599650132 /nfs/dbraw/zinc/65/01/32/599650132.db2.gz LADQSSOKOSUNPS-ZDUSSCGKSA-N -1 3 383.368 0.971 20 0 GCADHM CC(=O)N1CCC[C@H]1C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819796531 599650133 /nfs/dbraw/zinc/65/01/33/599650133.db2.gz LADQSSOKOSUNPS-ZDUSSCGKSA-N -1 3 383.368 0.971 20 0 GCADHM CCc1cnc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)o1 ZINC000821499438 599651935 /nfs/dbraw/zinc/65/19/35/599651935.db2.gz KDEKIDUSGRPDBE-UHFFFAOYSA-N -1 3 392.397 0.439 20 0 GCADHM CCc1cnc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)o1 ZINC000821499438 599651936 /nfs/dbraw/zinc/65/19/36/599651936.db2.gz KDEKIDUSGRPDBE-UHFFFAOYSA-N -1 3 392.397 0.439 20 0 GCADHM CS(=O)(=O)Cc1noc(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000821933237 599652143 /nfs/dbraw/zinc/65/21/43/599652143.db2.gz YFKRLHFQEHTHDM-SREVYHEPSA-N -1 3 390.381 0.551 20 0 GCADHM CS(=O)(=O)Cc1noc(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000821933237 599652144 /nfs/dbraw/zinc/65/21/44/599652144.db2.gz YFKRLHFQEHTHDM-SREVYHEPSA-N -1 3 390.381 0.551 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)OCC(F)(F)C(F)F ZINC000823009800 599652380 /nfs/dbraw/zinc/65/23/80/599652380.db2.gz VBCMPJZVSYVCPG-UHFFFAOYSA-N -1 3 397.310 0.589 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)OCC(F)(F)C(F)F ZINC000823009800 599652381 /nfs/dbraw/zinc/65/23/81/599652381.db2.gz VBCMPJZVSYVCPG-UHFFFAOYSA-N -1 3 397.310 0.589 20 0 GCADHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000822978591 599652413 /nfs/dbraw/zinc/65/24/13/599652413.db2.gz NAQRBZGNJCBKPA-UGSOOPFHSA-N -1 3 383.412 0.294 20 0 GCADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000822978591 599652414 /nfs/dbraw/zinc/65/24/14/599652414.db2.gz NAQRBZGNJCBKPA-UGSOOPFHSA-N -1 3 383.412 0.294 20 0 GCADHM Cn1ccnc(N2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)c1=O ZINC000822693926 599654048 /nfs/dbraw/zinc/65/40/48/599654048.db2.gz ONJWHAJDVXETQZ-VOTSOKGWSA-N -1 3 392.423 0.322 20 0 GCADHM Cn1ccnc(N2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)c1=O ZINC000822693926 599654049 /nfs/dbraw/zinc/65/40/49/599654049.db2.gz ONJWHAJDVXETQZ-VOTSOKGWSA-N -1 3 392.423 0.322 20 0 GCADHM Cn1nc(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1=O ZINC000822705173 599657169 /nfs/dbraw/zinc/65/71/69/599657169.db2.gz YGYWOICAUWBWFY-UHFFFAOYSA-N -1 3 380.324 0.367 20 0 GCADHM Cn1nc(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)ccc1=O ZINC000822705173 599657170 /nfs/dbraw/zinc/65/71/70/599657170.db2.gz YGYWOICAUWBWFY-UHFFFAOYSA-N -1 3 380.324 0.367 20 0 GCADHM C[C@@H](OC(=O)c1nonc1N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820518922 599658744 /nfs/dbraw/zinc/65/87/44/599658744.db2.gz NNWKTVXJMSJACS-RXMQYKEDSA-N -1 3 390.385 0.566 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Cc1cccc(S(=O)(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1-c1nnn[n-]1 ZINC000826302028 607547604 /nfs/dbraw/zinc/54/76/04/607547604.db2.gz YMSZVNQGHWEFPA-CYBMUJFWSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1-c1nn[n-]n1 ZINC000826302028 607547605 /nfs/dbraw/zinc/54/76/05/607547605.db2.gz YMSZVNQGHWEFPA-CYBMUJFWSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCn3c(nnc3C3CC3)C2)c1-c1nnn[n-]1 ZINC000826301702 607547742 /nfs/dbraw/zinc/54/77/42/607547742.db2.gz MXYSFKKWKIPWOU-UHFFFAOYSA-N -1 3 386.441 0.849 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCn3c(nnc3C3CC3)C2)c1-c1nn[n-]n1 ZINC000826301702 607547744 /nfs/dbraw/zinc/54/77/44/607547744.db2.gz MXYSFKKWKIPWOU-UHFFFAOYSA-N -1 3 386.441 0.849 20 0 GCADHM CN(C)C[C@@H]1CN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)c2ccccc2O1 ZINC000830600244 602171460 /nfs/dbraw/zinc/17/14/60/602171460.db2.gz DXGNECLBIHFFCA-GFCCVEGCSA-N -1 3 380.426 0.486 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083594 607552915 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20 0 GCADHM COC1(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC000826143616 607561380 /nfs/dbraw/zinc/56/13/80/607561380.db2.gz ILROEZDGHAFQLH-UHFFFAOYSA-N -1 3 376.421 0.168 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CC2 ZINC000548982936 607563533 /nfs/dbraw/zinc/56/35/33/607563533.db2.gz DPMJXHIUSZQLFV-UHFFFAOYSA-N -1 3 393.816 0.763 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CC2 ZINC000548982936 607563536 /nfs/dbraw/zinc/56/35/36/607563536.db2.gz DPMJXHIUSZQLFV-UHFFFAOYSA-N -1 3 393.816 0.763 20 0 GCADHM O=C(c1cnn2c1CCCC2)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826474820 607566663 /nfs/dbraw/zinc/56/66/63/607566663.db2.gz HBISEHPGBBYECY-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM O=C(c1cnn2c1CCCC2)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826474820 607566665 /nfs/dbraw/zinc/56/66/65/607566665.db2.gz HBISEHPGBBYECY-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM C[C@H](C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)N1CCSCC1 ZINC000824041222 607568222 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COc1ccc(CNC(=O)NC[C@H](O)C2CCOCC2)cc1-c1nn[n-]n1 ZINC000826199898 607575210 /nfs/dbraw/zinc/57/52/10/607575210.db2.gz QDIKVEOQTKLLIW-AWEZNQCLSA-N -1 3 376.417 0.462 20 0 GCADHM COc1ccc(CNC(=O)N2CCC3(CNC(=O)C3)CC2)cc1-c1nnn[n-]1 ZINC000826198185 607575876 /nfs/dbraw/zinc/57/58/76/607575876.db2.gz PLIMZPOZGFAPSC-UHFFFAOYSA-N -1 3 385.428 0.687 20 0 GCADHM COc1ccc(CNC(=O)N2CCC3(CNC(=O)C3)CC2)cc1-c1nn[n-]n1 ZINC000826198185 607575878 /nfs/dbraw/zinc/57/58/78/607575878.db2.gz PLIMZPOZGFAPSC-UHFFFAOYSA-N -1 3 385.428 0.687 20 0 GCADHM COc1ccc(CNC(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)cc1-c1nnn[n-]1 ZINC000826197978 607576047 /nfs/dbraw/zinc/57/60/47/607576047.db2.gz IQNSXHSSKICTSR-KDHKCVMQSA-N -1 3 378.458 0.926 20 0 GCADHM COc1ccc(CNC(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)cc1-c1nn[n-]n1 ZINC000826197978 607576048 /nfs/dbraw/zinc/57/60/48/607576048.db2.gz IQNSXHSSKICTSR-KDHKCVMQSA-N -1 3 378.458 0.926 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825394426 607576939 /nfs/dbraw/zinc/57/69/39/607576939.db2.gz CLZRSGNITAKTHD-JTQLQIEISA-N -1 3 389.434 0.204 20 0 GCADHM CN(C)C(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825841634 607578383 /nfs/dbraw/zinc/57/83/83/607578383.db2.gz YHAMLDZXTLJTNY-UHFFFAOYSA-N -1 3 378.336 0.252 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000826196765 607581281 /nfs/dbraw/zinc/58/12/81/607581281.db2.gz NDYWHSXPBCTQLE-UHFFFAOYSA-N -1 3 392.375 0.788 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)c3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000826196765 607581283 /nfs/dbraw/zinc/58/12/83/607581283.db2.gz NDYWHSXPBCTQLE-UHFFFAOYSA-N -1 3 392.375 0.788 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826303173 607582068 /nfs/dbraw/zinc/58/20/68/607582068.db2.gz CNYXFVVNQAWGOV-OKILXGFUSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826303173 607582070 /nfs/dbraw/zinc/58/20/70/607582070.db2.gz CNYXFVVNQAWGOV-OKILXGFUSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826302323 607582248 /nfs/dbraw/zinc/58/22/48/607582248.db2.gz GJCHDXWITMGYSW-CQSZACIVSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826302323 607582250 /nfs/dbraw/zinc/58/22/50/607582250.db2.gz GJCHDXWITMGYSW-CQSZACIVSA-N -1 3 394.501 0.810 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1-c1nnn[n-]1 ZINC000826196933 607582561 /nfs/dbraw/zinc/58/25/61/607582561.db2.gz SRMSULMNJIEWCW-BETUJISGSA-N -1 3 398.423 0.667 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1-c1nn[n-]n1 ZINC000826196933 607582563 /nfs/dbraw/zinc/58/25/63/607582563.db2.gz SRMSULMNJIEWCW-BETUJISGSA-N -1 3 398.423 0.667 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)c1ccco1 ZINC000826437488 607582916 /nfs/dbraw/zinc/58/29/16/607582916.db2.gz NNBJVETYHUAWAB-UHFFFAOYSA-N -1 3 396.816 0.821 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)c1ccco1 ZINC000826437488 607582917 /nfs/dbraw/zinc/58/29/17/607582917.db2.gz NNBJVETYHUAWAB-UHFFFAOYSA-N -1 3 396.816 0.821 20 0 GCADHM O=C(C1CC1)N1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826398017 607582926 /nfs/dbraw/zinc/58/29/26/607582926.db2.gz OSZOMBUSOFSRLZ-UHFFFAOYSA-N -1 3 394.432 0.685 20 0 GCADHM CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000824176863 607583362 /nfs/dbraw/zinc/58/33/62/607583362.db2.gz BHTJYRWUUIHEBN-UHFFFAOYSA-N -1 3 396.448 0.931 20 0 GCADHM COc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1-c1nnn[n-]1 ZINC000826197308 607584603 /nfs/dbraw/zinc/58/46/03/607584603.db2.gz JPBDXZZNYZEWMM-UHFFFAOYSA-N -1 3 392.379 0.297 20 0 GCADHM COc1ccc(CNC(=O)Cn2nnc3ccccc3c2=O)cc1-c1nn[n-]n1 ZINC000826197308 607584605 /nfs/dbraw/zinc/58/46/05/607584605.db2.gz JPBDXZZNYZEWMM-UHFFFAOYSA-N -1 3 392.379 0.297 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000824428133 607584851 /nfs/dbraw/zinc/58/48/51/607584851.db2.gz QGTZHQXWNREEDO-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000824428133 607584853 /nfs/dbraw/zinc/58/48/53/607584853.db2.gz QGTZHQXWNREEDO-SNVBAGLBSA-N -1 3 386.865 0.519 20 0 GCADHM COc1ccc(CNC(=O)c2csc(S(N)(=O)=O)c2)cc1-c1nnn[n-]1 ZINC000826202426 607584974 /nfs/dbraw/zinc/58/49/74/607584974.db2.gz ZLZYRPYOUXYSFH-UHFFFAOYSA-N -1 3 394.438 0.514 20 0 GCADHM COc1ccc(CNC(=O)c2csc(S(N)(=O)=O)c2)cc1-c1nn[n-]n1 ZINC000826202426 607584975 /nfs/dbraw/zinc/58/49/75/607584975.db2.gz ZLZYRPYOUXYSFH-UHFFFAOYSA-N -1 3 394.438 0.514 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000826073188 607585503 /nfs/dbraw/zinc/58/55/03/607585503.db2.gz IWVUKUMSPDKSBJ-GQCTYLIASA-N -1 3 393.407 0.960 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000826073188 607585504 /nfs/dbraw/zinc/58/55/04/607585504.db2.gz IWVUKUMSPDKSBJ-GQCTYLIASA-N -1 3 393.407 0.960 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccs1)c1sccc1-c1nnn[n-]1 ZINC000826437310 607586870 /nfs/dbraw/zinc/58/68/70/607586870.db2.gz GEHRPXSQCULDLT-UHFFFAOYSA-N -1 3 384.468 0.698 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccs1)c1sccc1-c1nn[n-]n1 ZINC000826437310 607586872 /nfs/dbraw/zinc/58/68/72/607586872.db2.gz GEHRPXSQCULDLT-UHFFFAOYSA-N -1 3 384.468 0.698 20 0 GCADHM CSCc1noc(CCC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)n1 ZINC000826229103 607587827 /nfs/dbraw/zinc/58/78/27/607587827.db2.gz OYKWNCCHIPISTG-UHFFFAOYSA-N -1 3 393.458 0.986 20 0 GCADHM CSCc1noc(CCC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)n1 ZINC000826229103 607587828 /nfs/dbraw/zinc/58/78/28/607587828.db2.gz OYKWNCCHIPISTG-UHFFFAOYSA-N -1 3 393.458 0.986 20 0 GCADHM COc1ccc(CNC(=O)CN(C)C(=O)[C@H](C)n2cccn2)cc1-c1nnn[n-]1 ZINC000826196663 607591280 /nfs/dbraw/zinc/59/12/80/607591280.db2.gz JVQYVVJAEPPFOQ-LBPRGKRZSA-N -1 3 398.427 0.408 20 0 GCADHM COc1ccc(CNC(=O)CN(C)C(=O)[C@H](C)n2cccn2)cc1-c1nn[n-]n1 ZINC000826196663 607591281 /nfs/dbraw/zinc/59/12/81/607591281.db2.gz JVQYVVJAEPPFOQ-LBPRGKRZSA-N -1 3 398.427 0.408 20 0 GCADHM COc1ccc(CNC(=O)CSc2nnnn2C2CC2)cc1-c1nnn[n-]1 ZINC000826197551 607591295 /nfs/dbraw/zinc/59/12/95/607591295.db2.gz UCXUDVQOKOTDQM-UHFFFAOYSA-N -1 3 387.429 0.605 20 0 GCADHM COc1ccc(CNC(=O)CSc2nnnn2C2CC2)cc1-c1nn[n-]n1 ZINC000826197551 607591296 /nfs/dbraw/zinc/59/12/96/607591296.db2.gz UCXUDVQOKOTDQM-UHFFFAOYSA-N -1 3 387.429 0.605 20 0 GCADHM O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1ccccc1-c1nnn[n-]1 ZINC000826487829 607592696 /nfs/dbraw/zinc/59/26/96/607592696.db2.gz BCDRBIOXIRIXJH-LBPRGKRZSA-N -1 3 386.441 0.604 20 0 GCADHM O=S(=O)(N[C@H]1CCCN(c2ncccn2)C1)c1ccccc1-c1nn[n-]n1 ZINC000826487829 607592698 /nfs/dbraw/zinc/59/26/98/607592698.db2.gz BCDRBIOXIRIXJH-LBPRGKRZSA-N -1 3 386.441 0.604 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc(OC)c(-c3nnn[n-]3)c2)C1=O ZINC000825165316 607593697 /nfs/dbraw/zinc/59/36/97/607593697.db2.gz YIZFSFPUECGSQH-QGZVFWFLSA-N -1 3 388.384 0.639 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc(OC)c(-c3nn[n-]n3)c2)C1=O ZINC000825165316 607593698 /nfs/dbraw/zinc/59/36/98/607593698.db2.gz YIZFSFPUECGSQH-QGZVFWFLSA-N -1 3 388.384 0.639 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1F ZINC000826437399 607594894 /nfs/dbraw/zinc/59/48/94/607594894.db2.gz JRPJCHNTZUOVEF-UHFFFAOYSA-N -1 3 390.400 0.714 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1F ZINC000826437399 607594895 /nfs/dbraw/zinc/59/48/95/607594895.db2.gz JRPJCHNTZUOVEF-UHFFFAOYSA-N -1 3 390.400 0.714 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000824641344 607595340 /nfs/dbraw/zinc/59/53/40/607595340.db2.gz UQLWMRPZZYLMBL-GFCCVEGCSA-N -1 3 386.437 0.850 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000824641344 607595342 /nfs/dbraw/zinc/59/53/42/607595342.db2.gz UQLWMRPZZYLMBL-GFCCVEGCSA-N -1 3 386.437 0.850 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)NC1CCCCC1 ZINC000826412894 607602343 /nfs/dbraw/zinc/60/23/43/607602343.db2.gz IGHYUJZNCODOGK-UHFFFAOYSA-N -1 3 382.421 0.733 20 0 GCADHM CNC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCCC1 ZINC000826052205 607603021 /nfs/dbraw/zinc/60/30/21/607603021.db2.gz PPHRMNACHBAUHD-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM CNC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCCC1 ZINC000826052205 607603023 /nfs/dbraw/zinc/60/30/23/607603023.db2.gz PPHRMNACHBAUHD-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM O=C1Cc2ccccc2N1CCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826481652 607603357 /nfs/dbraw/zinc/60/33/57/607603357.db2.gz DPXJAUOCLHGWPS-UHFFFAOYSA-N -1 3 384.421 0.734 20 0 GCADHM O=C1Cc2ccccc2N1CCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826481652 607603359 /nfs/dbraw/zinc/60/33/59/607603359.db2.gz DPXJAUOCLHGWPS-UHFFFAOYSA-N -1 3 384.421 0.734 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCc2cccc(C(N)=O)c2)c1-c1nnn[n-]1 ZINC000826303435 607605349 /nfs/dbraw/zinc/60/53/49/607605349.db2.gz PCJOPSLNBNOQHO-UHFFFAOYSA-N -1 3 386.437 0.795 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCc2cccc(C(N)=O)c2)c1-c1nn[n-]n1 ZINC000826303435 607605351 /nfs/dbraw/zinc/60/53/51/607605351.db2.gz PCJOPSLNBNOQHO-UHFFFAOYSA-N -1 3 386.437 0.795 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H](C2OCCO2)C1 ZINC000826495234 607605646 /nfs/dbraw/zinc/60/56/46/607605646.db2.gz HYANRUBRMSBNOL-JTQLQIEISA-N -1 3 383.405 0.779 20 0 GCADHM C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000824412921 607609808 /nfs/dbraw/zinc/60/98/08/607609808.db2.gz HGRKKEXIYOULGS-NSHDSACASA-N -1 3 399.908 0.434 20 0 GCADHM COCCN1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000826159633 607610677 /nfs/dbraw/zinc/61/06/77/607610677.db2.gz MDFABPGYQVHNFY-LLVKDONJSA-N -1 3 384.437 0.395 20 0 GCADHM COCCN1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000826159633 607610678 /nfs/dbraw/zinc/61/06/78/607610678.db2.gz MDFABPGYQVHNFY-LLVKDONJSA-N -1 3 384.437 0.395 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)c1-c1nnn[n-]1 ZINC000826301665 607613358 /nfs/dbraw/zinc/61/33/58/607613358.db2.gz LVIXDCSYVPALHG-CYBMUJFWSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@H](Cn3cccn3)C2)c1-c1nn[n-]n1 ZINC000826301665 607613359 /nfs/dbraw/zinc/61/33/59/607613359.db2.gz LVIXDCSYVPALHG-CYBMUJFWSA-N -1 3 389.441 0.461 20 0 GCADHM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826497066 607613945 /nfs/dbraw/zinc/61/39/45/607613945.db2.gz SXXUFPOFZHOLSD-VIFPVBQESA-N -1 3 391.862 0.376 20 0 GCADHM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826497066 607613948 /nfs/dbraw/zinc/61/39/48/607613948.db2.gz SXXUFPOFZHOLSD-VIFPVBQESA-N -1 3 391.862 0.376 20 0 GCADHM COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826157923 607615596 /nfs/dbraw/zinc/61/55/96/607615596.db2.gz RMASVLQKFDRWGL-UHFFFAOYSA-N -1 3 387.393 0.206 20 0 GCADHM CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000825465192 607616555 /nfs/dbraw/zinc/61/65/55/607616555.db2.gz JBCZKTKFJDQMRY-NSHDSACASA-N -1 3 386.865 0.519 20 0 GCADHM CCN1CCO[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000825465192 607616556 /nfs/dbraw/zinc/61/65/56/607616556.db2.gz JBCZKTKFJDQMRY-NSHDSACASA-N -1 3 386.865 0.519 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccnn1C ZINC000824640979 607618036 /nfs/dbraw/zinc/61/80/36/607618036.db2.gz QKEUITQIUVDOID-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccnn1C ZINC000824640979 607618038 /nfs/dbraw/zinc/61/80/38/607618038.db2.gz QKEUITQIUVDOID-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccnn1C ZINC000824641554 607618054 /nfs/dbraw/zinc/61/80/54/607618054.db2.gz WUHONYOQKGVHMS-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccnn1C ZINC000824641554 607618056 /nfs/dbraw/zinc/61/80/56/607618056.db2.gz WUHONYOQKGVHMS-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111214 607618230 /nfs/dbraw/zinc/61/82/30/607618230.db2.gz AJXBPXSLRHJWFH-NHYWBVRUSA-N -1 3 388.428 0.883 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111214 607618232 /nfs/dbraw/zinc/61/82/32/607618232.db2.gz AJXBPXSLRHJWFH-NHYWBVRUSA-N -1 3 388.428 0.883 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccnn1C ZINC000824641553 607618284 /nfs/dbraw/zinc/61/82/84/607618284.db2.gz WUHONYOQKGVHMS-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccnn1C ZINC000824641553 607618285 /nfs/dbraw/zinc/61/82/85/607618285.db2.gz WUHONYOQKGVHMS-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[S@@](=O)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826224450 607618309 /nfs/dbraw/zinc/61/83/09/607618309.db2.gz DTCBHTQLJAJZBX-XMMPIXPASA-N -1 3 397.404 0.932 20 0 GCADHM O=S(=O)(NCc1cccc(-n2cncn2)c1)c1ccccc1-c1nnn[n-]1 ZINC000826492126 607619350 /nfs/dbraw/zinc/61/93/50/607619350.db2.gz UUMPRQOKTWWCSC-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM O=S(=O)(NCc1cccc(-n2cncn2)c1)c1ccccc1-c1nn[n-]n1 ZINC000826492126 607619353 /nfs/dbraw/zinc/61/93/53/607619353.db2.gz UUMPRQOKTWWCSC-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM CC(C)N1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1=O ZINC000824295821 607615832 /nfs/dbraw/zinc/61/58/32/607615832.db2.gz AKKNUEVCZPSDRZ-NSHDSACASA-N -1 3 384.849 0.808 20 0 GCADHM CC(C)N1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1=O ZINC000824295821 607615834 /nfs/dbraw/zinc/61/58/34/607615834.db2.gz AKKNUEVCZPSDRZ-NSHDSACASA-N -1 3 384.849 0.808 20 0 GCADHM COc1ccc(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1-c1nnn[n-]1 ZINC000826198376 607625326 /nfs/dbraw/zinc/62/53/26/607625326.db2.gz WOBKXXUHSZEOIP-KGLIPLIRSA-N -1 3 385.428 0.828 20 0 GCADHM COc1ccc(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1-c1nn[n-]n1 ZINC000826198376 607625327 /nfs/dbraw/zinc/62/53/27/607625327.db2.gz WOBKXXUHSZEOIP-KGLIPLIRSA-N -1 3 385.428 0.828 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826390364 607622371 /nfs/dbraw/zinc/62/23/71/607622371.db2.gz XQBFJYGCXARPAD-WPRPVWTQSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000826390364 607622373 /nfs/dbraw/zinc/62/23/73/607622373.db2.gz XQBFJYGCXARPAD-WPRPVWTQSA-N -1 3 384.849 0.843 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000826137948 607623216 /nfs/dbraw/zinc/62/32/16/607623216.db2.gz AGVCTPWDRPELJI-UHFFFAOYSA-N -1 3 390.444 0.183 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826199425 607623945 /nfs/dbraw/zinc/62/39/45/607623945.db2.gz YMVDEVILZNWEOF-JTQLQIEISA-N -1 3 375.433 0.978 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826199425 607623946 /nfs/dbraw/zinc/62/39/46/607623946.db2.gz YMVDEVILZNWEOF-JTQLQIEISA-N -1 3 375.433 0.978 20 0 GCADHM O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826487143 607624008 /nfs/dbraw/zinc/62/40/08/607624008.db2.gz FJXQRXIWUSTXDT-GFCCVEGCSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(N[C@@H](CO)Cc1ccccc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826487143 607624010 /nfs/dbraw/zinc/62/40/10/607624010.db2.gz FJXQRXIWUSTXDT-GFCCVEGCSA-N -1 3 377.401 0.888 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H](O)COc1ccccc1 ZINC000826280254 607626537 /nfs/dbraw/zinc/62/65/37/607626537.db2.gz UMQVZCOJAUJELU-AWEZNQCLSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H](O)COc1ccccc1 ZINC000826280254 607626539 /nfs/dbraw/zinc/62/65/39/607626539.db2.gz UMQVZCOJAUJELU-AWEZNQCLSA-N -1 3 389.437 0.893 20 0 GCADHM COc1ccc(CNC(=O)C(=O)NCc2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC000826195820 607627494 /nfs/dbraw/zinc/62/74/94/607627494.db2.gz GRQOQTQQMACPQT-UHFFFAOYSA-N -1 3 384.371 0.947 20 0 GCADHM COc1ccc(CNC(=O)C(=O)NCc2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC000826195820 607627495 /nfs/dbraw/zinc/62/74/95/607627495.db2.gz GRQOQTQQMACPQT-UHFFFAOYSA-N -1 3 384.371 0.947 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cc1-c1nnn[n-]1 ZINC000826195796 607627692 /nfs/dbraw/zinc/62/76/92/607627692.db2.gz FXCHJZNJKSRBHD-NSHDSACASA-N -1 3 382.384 0.268 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cc1-c1nn[n-]n1 ZINC000826195796 607627694 /nfs/dbraw/zinc/62/76/94/607627694.db2.gz FXCHJZNJKSRBHD-NSHDSACASA-N -1 3 382.384 0.268 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1-c1nnn[n-]1 ZINC000826489434 607629519 /nfs/dbraw/zinc/62/95/19/607629519.db2.gz PJOMVJBGPHCHSC-GFCCVEGCSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC[C@@H](O)COc1ccc(F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000826489434 607629524 /nfs/dbraw/zinc/62/95/24/607629524.db2.gz PJOMVJBGPHCHSC-GFCCVEGCSA-N -1 3 393.400 0.724 20 0 GCADHM O=S(=O)(NC1CCN(CCO)CC1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826488321 607634656 /nfs/dbraw/zinc/63/46/56/607634656.db2.gz NMILLJOBDCBBQW-UHFFFAOYSA-N -1 3 386.865 0.255 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(CC(C)(C)O)CC1 ZINC000826255639 607630858 /nfs/dbraw/zinc/63/08/58/607630858.db2.gz FFIHMCNZHRFXGE-UHFFFAOYSA-N -1 3 380.474 0.252 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(CC(C)(C)O)CC1 ZINC000826255639 607630859 /nfs/dbraw/zinc/63/08/59/607630859.db2.gz FFIHMCNZHRFXGE-UHFFFAOYSA-N -1 3 380.474 0.252 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H](O)Cc1ccccc1 ZINC000824471430 607631912 /nfs/dbraw/zinc/63/19/12/607631912.db2.gz QLEUTQQUESZXBW-MLGOLLRUSA-N -1 3 380.408 0.914 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H](O)Cc1ccccc1 ZINC000824471430 607631913 /nfs/dbraw/zinc/63/19/13/607631913.db2.gz QLEUTQQUESZXBW-MLGOLLRUSA-N -1 3 380.408 0.914 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000826111573 607632250 /nfs/dbraw/zinc/63/22/50/607632250.db2.gz HNASRPZEVPTGGG-IAQYHMDHSA-N -1 3 389.412 0.407 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000826111573 607632251 /nfs/dbraw/zinc/63/22/51/607632251.db2.gz HNASRPZEVPTGGG-IAQYHMDHSA-N -1 3 389.412 0.407 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000826111574 607632289 /nfs/dbraw/zinc/63/22/89/607632289.db2.gz HNASRPZEVPTGGG-NHYWBVRUSA-N -1 3 389.412 0.407 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000826111574 607632290 /nfs/dbraw/zinc/63/22/90/607632290.db2.gz HNASRPZEVPTGGG-NHYWBVRUSA-N -1 3 389.412 0.407 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCOCC1 ZINC000826143614 607632325 /nfs/dbraw/zinc/63/23/25/607632325.db2.gz ILIFRGHNJXELMW-UHFFFAOYSA-N -1 3 394.819 0.770 20 0 GCADHM COC1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCOCC1 ZINC000826143614 607632326 /nfs/dbraw/zinc/63/23/26/607632326.db2.gz ILIFRGHNJXELMW-UHFFFAOYSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCC1(CO)COC1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826433642 607632951 /nfs/dbraw/zinc/63/29/51/607632951.db2.gz NIASAUUOLSLPDQ-UHFFFAOYSA-N -1 3 382.380 0.793 20 0 GCADHM O=C(NCC1(CO)COC1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826433642 607632954 /nfs/dbraw/zinc/63/29/54/607632954.db2.gz NIASAUUOLSLPDQ-UHFFFAOYSA-N -1 3 382.380 0.793 20 0 GCADHM COCC[C@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826153470 607635754 /nfs/dbraw/zinc/63/57/54/607635754.db2.gz ONSPXYCPWPHJBV-ZDUSSCGKSA-N -1 3 375.838 0.586 20 0 GCADHM COCC[C@](C)(O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826153470 607635756 /nfs/dbraw/zinc/63/57/56/607635756.db2.gz ONSPXYCPWPHJBV-ZDUSSCGKSA-N -1 3 375.838 0.586 20 0 GCADHM COc1ccccc1[C@@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826218642 607639469 /nfs/dbraw/zinc/63/94/69/607639469.db2.gz HVFLRLBMKCGKKS-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826218642 607639471 /nfs/dbraw/zinc/63/94/71/607639471.db2.gz HVFLRLBMKCGKKS-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@H](CO)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826218760 607639535 /nfs/dbraw/zinc/63/95/35/607639535.db2.gz KKDWXHUFTZGMRL-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@H](CO)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826218760 607639536 /nfs/dbraw/zinc/63/95/36/607639536.db2.gz KKDWXHUFTZGMRL-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM O=C1[C@@H](N(CCO)Cc2cccnc2)CCN1c1sccc1-c1nnn[n-]1 ZINC000826476985 607641693 /nfs/dbraw/zinc/64/16/93/607641693.db2.gz STAWIVLBALSWNF-AWEZNQCLSA-N -1 3 385.453 0.923 20 0 GCADHM O=C1[C@@H](N(CCO)Cc2cccnc2)CCN1c1sccc1-c1nn[n-]n1 ZINC000826476985 607641694 /nfs/dbraw/zinc/64/16/94/607641694.db2.gz STAWIVLBALSWNF-AWEZNQCLSA-N -1 3 385.453 0.923 20 0 GCADHM CSC[C@H](CCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826228439 607642575 /nfs/dbraw/zinc/64/25/75/607642575.db2.gz OSMKDWNPXKVDJH-QMMMGPOBSA-N -1 3 377.879 0.912 20 0 GCADHM CSC[C@H](CCO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826228439 607642577 /nfs/dbraw/zinc/64/25/77/607642577.db2.gz OSMKDWNPXKVDJH-QMMMGPOBSA-N -1 3 377.879 0.912 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826222534 607642965 /nfs/dbraw/zinc/64/29/65/607642965.db2.gz ZWESQLZRPAMGFW-MNOVXSKESA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826222534 607642966 /nfs/dbraw/zinc/64/29/66/607642966.db2.gz ZWESQLZRPAMGFW-MNOVXSKESA-N -1 3 385.471 0.501 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(O)c1 ZINC000824641168 607643850 /nfs/dbraw/zinc/64/38/50/607643850.db2.gz SNUPQRJGXWCBTO-JTQLQIEISA-N -1 3 388.409 0.878 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(O)c1 ZINC000824641168 607643852 /nfs/dbraw/zinc/64/38/52/607643852.db2.gz SNUPQRJGXWCBTO-JTQLQIEISA-N -1 3 388.409 0.878 20 0 GCADHM Cn1cc(N2CCC[C@H](NS(=O)(=O)c3ccccc3-c3nnn[n-]3)C2)cn1 ZINC000826362024 607647864 /nfs/dbraw/zinc/64/78/64/607647864.db2.gz ABCKAFFBLIDNJJ-LBPRGKRZSA-N -1 3 388.457 0.548 20 0 GCADHM Cn1cc(N2CCC[C@H](NS(=O)(=O)c3ccccc3-c3nn[n-]n3)C2)cn1 ZINC000826362024 607647867 /nfs/dbraw/zinc/64/78/67/607647867.db2.gz ABCKAFFBLIDNJJ-LBPRGKRZSA-N -1 3 388.457 0.548 20 0 GCADHM Cc1nnc([C@@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nnn[n-]3)CCO2)[nH]1 ZINC000826322325 607652890 /nfs/dbraw/zinc/65/28/90/607652890.db2.gz IAVLIERQXJAUDY-JTQLQIEISA-N -1 3 394.392 0.195 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826254838 607653237 /nfs/dbraw/zinc/65/32/37/607653237.db2.gz CFHWCYRFRZOESJ-GFCCVEGCSA-N -1 3 377.348 0.863 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826254838 607653238 /nfs/dbraw/zinc/65/32/38/607653238.db2.gz CFHWCYRFRZOESJ-GFCCVEGCSA-N -1 3 377.348 0.863 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826495353 607653630 /nfs/dbraw/zinc/65/36/30/607653630.db2.gz MVDRRIWWXOMDMS-LLVKDONJSA-N -1 3 381.311 0.694 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1=O ZINC000824899424 607653740 /nfs/dbraw/zinc/65/37/40/607653740.db2.gz JQBWEFHKZXYCSJ-QRTLGDNMSA-N -1 3 380.405 0.293 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1=O ZINC000824900373 607653807 /nfs/dbraw/zinc/65/38/07/607653807.db2.gz VAAHZJLIGBTCHJ-UISBYWKRSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1=O ZINC000824900373 607653809 /nfs/dbraw/zinc/65/38/09/607653809.db2.gz VAAHZJLIGBTCHJ-UISBYWKRSA-N -1 3 396.860 0.808 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000826244361 607649573 /nfs/dbraw/zinc/64/95/73/607649573.db2.gz PIJUPBWJKZTXHA-UHFFFAOYSA-N -1 3 384.440 0.886 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000826244361 607649575 /nfs/dbraw/zinc/64/95/75/607649575.db2.gz PIJUPBWJKZTXHA-UHFFFAOYSA-N -1 3 384.440 0.886 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000826496084 607649793 /nfs/dbraw/zinc/64/97/93/607649793.db2.gz KMLCOFAVUYRPPE-ZDUSSCGKSA-N -1 3 378.458 0.210 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000826496084 607649795 /nfs/dbraw/zinc/64/97/95/607649795.db2.gz KMLCOFAVUYRPPE-ZDUSSCGKSA-N -1 3 378.458 0.210 20 0 GCADHM 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Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000826244421 607698298 /nfs/dbraw/zinc/69/82/98/607698298.db2.gz RKRVBCQELOOGGB-GOSISDBHSA-N -1 3 383.412 0.625 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000826246096 607698652 /nfs/dbraw/zinc/69/86/52/607698652.db2.gz RKJHFXMZHWZQAZ-UHFFFAOYSA-N -1 3 380.412 0.231 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000826246096 607698653 /nfs/dbraw/zinc/69/86/53/607698653.db2.gz RKJHFXMZHWZQAZ-UHFFFAOYSA-N -1 3 380.412 0.231 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccccc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826437444 607698715 /nfs/dbraw/zinc/69/87/15/607698715.db2.gz LYZVPIYYGDTMLD-UHFFFAOYSA-N -1 3 375.414 0.044 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccccc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826437444 607698717 /nfs/dbraw/zinc/69/87/17/607698717.db2.gz LYZVPIYYGDTMLD-UHFFFAOYSA-N -1 3 375.414 0.044 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000826247640 607702593 /nfs/dbraw/zinc/70/25/93/607702593.db2.gz JVTFDTLFQCKTHB-SMDDNHRTSA-N -1 3 378.458 0.575 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000826247640 607702595 /nfs/dbraw/zinc/70/25/95/607702595.db2.gz JVTFDTLFQCKTHB-SMDDNHRTSA-N -1 3 378.458 0.575 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000826248169 607703615 /nfs/dbraw/zinc/70/36/15/607703615.db2.gz YOXSZZNIIQPKMX-JSGCOSHPSA-N -1 3 378.458 0.623 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000826248169 607703616 /nfs/dbraw/zinc/70/36/16/607703616.db2.gz YOXSZZNIIQPKMX-JSGCOSHPSA-N -1 3 378.458 0.623 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(O)cc1 ZINC000824640100 607707055 /nfs/dbraw/zinc/70/70/55/607707055.db2.gz AJHMEDXNEMLPCB-JTQLQIEISA-N -1 3 388.409 0.878 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(O)cc1 ZINC000824640100 607707056 /nfs/dbraw/zinc/70/70/56/607707056.db2.gz AJHMEDXNEMLPCB-JTQLQIEISA-N -1 3 388.409 0.878 20 0 GCADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000831918540 604755009 /nfs/dbraw/zinc/75/50/09/604755009.db2.gz OZLFUBSVRVYZQW-SQWLQELKSA-N -1 3 382.457 0.520 20 0 GCADHM CN(C)C[C@@H]1CN(CC2=C(C(=O)[O-])[C@H](c3ccccc3)NC(=O)N2C)CCO1 ZINC000830601569 604755959 /nfs/dbraw/zinc/75/59/59/604755959.db2.gz ZFIUXDCNRAABPH-QAPCUYQASA-N -1 3 388.468 0.984 20 0 GCADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCO[C@@H](CN(C)C)C1 ZINC000831369916 604759713 /nfs/dbraw/zinc/75/97/13/604759713.db2.gz LCCHSBUKGXGHQX-OCCSQVGLSA-N -1 3 393.440 0.761 20 0 GCADHM CN(C)C[C@H]1CN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CCO1 ZINC000830600567 604759797 /nfs/dbraw/zinc/75/97/97/604759797.db2.gz MQRRILLTQPXJDY-YJBOKZPZSA-N -1 3 388.468 0.542 20 0 GCADHM NC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccc(Br)c1 ZINC000826388496 607713484 /nfs/dbraw/zinc/71/34/84/607713484.db2.gz BESUTLJGKSSPFG-LLVKDONJSA-N -1 3 390.201 0.914 20 0 GCADHM NC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccc(Br)c1 ZINC000826388496 607713486 /nfs/dbraw/zinc/71/34/86/607713486.db2.gz BESUTLJGKSSPFG-LLVKDONJSA-N -1 3 390.201 0.914 20 0 GCADHM CCc1nnc(N2CCC(C(=O)NCCCO)CC2)c(-c2nnn[n-]2)c1CC ZINC000825767914 607727148 /nfs/dbraw/zinc/72/71/48/607727148.db2.gz UIAUBXVRHLNMED-UHFFFAOYSA-N -1 3 388.476 0.497 20 0 GCADHM CCc1nnc(N2CCC(C(=O)NCCCO)CC2)c(-c2nn[n-]n2)c1CC ZINC000825767914 607727150 /nfs/dbraw/zinc/72/71/50/607727150.db2.gz UIAUBXVRHLNMED-UHFFFAOYSA-N -1 3 388.476 0.497 20 0 GCADHM CCOC(=O)NCCCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825523645 607727411 /nfs/dbraw/zinc/72/74/11/607727411.db2.gz RSSLKIVWOCEJRG-CYBMUJFWSA-N -1 3 376.373 0.463 20 0 GCADHM CCOC(=O)NCCCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825523645 607727413 /nfs/dbraw/zinc/72/74/13/607727413.db2.gz RSSLKIVWOCEJRG-CYBMUJFWSA-N -1 3 376.373 0.463 20 0 GCADHM CCOc1ccc(C[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C(=O)[O-])cc1 ZINC000833664253 605040039 /nfs/dbraw/zinc/04/00/39/605040039.db2.gz NSUPECDPRZZJBL-SJLPKXTDSA-N -1 3 375.469 0.835 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000825976614 607739666 /nfs/dbraw/zinc/73/96/66/607739666.db2.gz NOZDMZKBKVGDFU-AWEZNQCLSA-N -1 3 389.441 0.845 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000825976614 607739667 /nfs/dbraw/zinc/73/96/67/607739667.db2.gz NOZDMZKBKVGDFU-AWEZNQCLSA-N -1 3 389.441 0.845 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2=O)cc1 ZINC000826194139 607739872 /nfs/dbraw/zinc/73/98/72/607739872.db2.gz BXSWCPSGFNGALJ-OAHLLOKOSA-N -1 3 381.396 0.734 20 0 GCADHM COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2=O)cc1 ZINC000826194139 607739873 /nfs/dbraw/zinc/73/98/73/607739873.db2.gz BXSWCPSGFNGALJ-OAHLLOKOSA-N -1 3 381.396 0.734 20 0 GCADHM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000833627535 605205946 /nfs/dbraw/zinc/20/59/46/605205946.db2.gz XQVPGOBMVJKCKR-OAHLLOKOSA-N -1 3 375.473 0.454 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000826471821 607741017 /nfs/dbraw/zinc/74/10/17/607741017.db2.gz NPZAYSMRZCUUSV-AWEZNQCLSA-N -1 3 397.439 0.393 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000826471821 607741018 /nfs/dbraw/zinc/74/10/18/607741018.db2.gz NPZAYSMRZCUUSV-AWEZNQCLSA-N -1 3 397.439 0.393 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)c(F)c1)c1cnn([C@H]2CCOC2)c1 ZINC000826493283 607741923 /nfs/dbraw/zinc/74/19/23/607741923.db2.gz CNLNRSPQVXFHLR-VIFPVBQESA-N -1 3 380.361 0.931 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)c(F)c1)c1cnn([C@H]2CCOC2)c1 ZINC000826493283 607741924 /nfs/dbraw/zinc/74/19/24/607741924.db2.gz CNLNRSPQVXFHLR-VIFPVBQESA-N -1 3 380.361 0.931 20 0 GCADHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826067786 607742066 /nfs/dbraw/zinc/74/20/66/607742066.db2.gz KFRWYZMXRDWCST-HNNXBMFYSA-N -1 3 378.396 0.763 20 0 GCADHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826067786 607742067 /nfs/dbraw/zinc/74/20/67/607742067.db2.gz KFRWYZMXRDWCST-HNNXBMFYSA-N -1 3 378.396 0.763 20 0 GCADHM O=S(=O)(NC[C@H](O)C1CC1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826489533 607742499 /nfs/dbraw/zinc/74/24/99/607742499.db2.gz SLQNHCKYLJZVQW-NSHDSACASA-N -1 3 388.247 0.678 20 0 GCADHM O=S(=O)(NC[C@H](O)C1CC1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826489533 607742500 /nfs/dbraw/zinc/74/25/00/607742500.db2.gz SLQNHCKYLJZVQW-NSHDSACASA-N -1 3 388.247 0.678 20 0 GCADHM O=S(=O)(NCCN1CCC1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826491179 607745497 /nfs/dbraw/zinc/74/54/97/607745497.db2.gz WZTCBGSFPJDIDC-UHFFFAOYSA-N -1 3 376.364 0.870 20 0 GCADHM O=S(=O)(NCCN1CCC1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826491179 607745498 /nfs/dbraw/zinc/74/54/98/607745498.db2.gz WZTCBGSFPJDIDC-UHFFFAOYSA-N -1 3 376.364 0.870 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])c(F)c1)CN1CCN(C)CC1 ZINC000833518329 605289326 /nfs/dbraw/zinc/28/93/26/605289326.db2.gz XTCRNIHGJUSVJH-GFCCVEGCSA-N -1 3 395.435 0.854 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826431390 607749505 /nfs/dbraw/zinc/74/95/05/607749505.db2.gz AAGUIVFHQXVLJE-UHFFFAOYSA-N -1 3 393.351 0.239 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826431390 607749506 /nfs/dbraw/zinc/74/95/06/607749506.db2.gz AAGUIVFHQXVLJE-UHFFFAOYSA-N -1 3 393.351 0.239 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825209612 607754361 /nfs/dbraw/zinc/75/43/61/607754361.db2.gz BAEGUVAVSYUPLH-VXGBXAGGSA-N -1 3 395.489 0.763 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825209612 607754362 /nfs/dbraw/zinc/75/43/62/607754362.db2.gz BAEGUVAVSYUPLH-VXGBXAGGSA-N -1 3 395.489 0.763 20 0 GCADHM CC(C)(C)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1nc(-c2nc[nH]n2)no1 ZINC000824072173 607756626 /nfs/dbraw/zinc/75/66/26/607756626.db2.gz SGVSFUNEPRUZIL-SECBINFHSA-N -1 3 383.376 0.880 20 0 GCADHM CC(=O)N1CC[C@H](NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC000823973553 607758203 /nfs/dbraw/zinc/75/82/03/607758203.db2.gz KQENCTFCLXMXDO-LRDDRELGSA-N -1 3 387.444 0.802 20 0 GCADHM CS[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826226396 607764457 /nfs/dbraw/zinc/76/44/57/607764457.db2.gz YUKNKBDPQLJKML-ZJUUUORDSA-N -1 3 384.487 0.401 20 0 GCADHM CS[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826226396 607764458 /nfs/dbraw/zinc/76/44/58/607764458.db2.gz YUKNKBDPQLJKML-ZJUUUORDSA-N -1 3 384.487 0.401 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)CC(N)=O)cc1-c1nnn[n-]1 ZINC000825539096 607766310 /nfs/dbraw/zinc/76/63/10/607766310.db2.gz MLGILLQUINRLLL-QMMMGPOBSA-N -1 3 376.377 0.821 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H](C)CC(N)=O)cc1-c1nn[n-]n1 ZINC000825539096 607766311 /nfs/dbraw/zinc/76/63/11/607766311.db2.gz MLGILLQUINRLLL-QMMMGPOBSA-N -1 3 376.377 0.821 20 0 GCADHM CN(C)c1ncc(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000825883928 607767887 /nfs/dbraw/zinc/76/78/87/607767887.db2.gz QHFUJQZCIXEQBB-UHFFFAOYSA-N -1 3 395.431 0.472 20 0 GCADHM CN(C)c1ncc(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000825883928 607767888 /nfs/dbraw/zinc/76/78/88/607767888.db2.gz QHFUJQZCIXEQBB-UHFFFAOYSA-N -1 3 395.431 0.472 20 0 GCADHM O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc(-c2nnn[n-]2)cs1 ZINC000826432990 607768022 /nfs/dbraw/zinc/76/80/22/607768022.db2.gz RIXKITNOZFINKH-VIFPVBQESA-N -1 3 399.479 0.554 20 0 GCADHM O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1cc(-c2nn[n-]n2)cs1 ZINC000826432990 607768023 /nfs/dbraw/zinc/76/80/23/607768023.db2.gz RIXKITNOZFINKH-VIFPVBQESA-N -1 3 399.479 0.554 20 0 GCADHM O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(-c2nnn[n-]2)cs1 ZINC000826432989 607768028 /nfs/dbraw/zinc/76/80/28/607768028.db2.gz RIXKITNOZFINKH-SECBINFHSA-N -1 3 399.479 0.554 20 0 GCADHM O=C(NC[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(-c2nn[n-]n2)cs1 ZINC000826432989 607768029 /nfs/dbraw/zinc/76/80/29/607768029.db2.gz RIXKITNOZFINKH-SECBINFHSA-N -1 3 399.479 0.554 20 0 GCADHM COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000833707848 605689740 /nfs/dbraw/zinc/68/97/40/605689740.db2.gz MWXYQYFIQUZMJE-DYEKYZERSA-N -1 3 381.381 0.493 20 0 GCADHM O=S(=O)(Cc1ccccc1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000823567033 606028371 /nfs/dbraw/zinc/02/83/71/606028371.db2.gz NGPOHLHNNKTVQN-UHFFFAOYSA-N -1 3 385.453 0.914 20 0 GCADHM O=S(=O)(Cc1ccccc1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000823567033 606028375 /nfs/dbraw/zinc/02/83/75/606028375.db2.gz NGPOHLHNNKTVQN-UHFFFAOYSA-N -1 3 385.453 0.914 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000821613656 606033401 /nfs/dbraw/zinc/03/34/01/606033401.db2.gz WYOHLPMVUFCHKU-MRXNPFEDSA-N -1 3 394.439 0.607 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O ZINC000821613656 606033404 /nfs/dbraw/zinc/03/34/04/606033404.db2.gz WYOHLPMVUFCHKU-MRXNPFEDSA-N -1 3 394.439 0.607 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)N1CCc2ccccc21 ZINC000822997116 606047614 /nfs/dbraw/zinc/04/76/14/606047614.db2.gz NMTWNTWHYUWYLG-UHFFFAOYSA-N -1 3 390.451 0.973 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)N1CCc2ccccc21 ZINC000822997116 606047620 /nfs/dbraw/zinc/04/76/20/606047620.db2.gz NMTWNTWHYUWYLG-UHFFFAOYSA-N -1 3 390.451 0.973 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(c2nccn2C)CC1 ZINC000819877299 606064335 /nfs/dbraw/zinc/06/43/35/606064335.db2.gz SOMBVBTVWBJOIW-ZDUSSCGKSA-N -1 3 381.444 0.749 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC[C@H](S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000822542450 606066549 /nfs/dbraw/zinc/06/65/49/606066549.db2.gz XUOAWOYBUGEQLO-KOLCDFICSA-N -1 3 397.461 0.156 20 0 GCADHM Cn1ccnc1N1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000822698661 606066957 /nfs/dbraw/zinc/06/69/57/606066957.db2.gz AAJGRJKWZSZHMC-UHFFFAOYSA-N -1 3 392.427 0.972 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN(c3nccn3C)CC2)c(-c2nnn[n-]2)c1C ZINC000822540940 606067058 /nfs/dbraw/zinc/06/70/58/606067058.db2.gz HKYGWSBRZXMLTC-LBPRGKRZSA-N -1 3 399.459 0.959 20 0 GCADHM CN(Cc1nnc2ccccn21)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821618123 606077711 /nfs/dbraw/zinc/07/77/11/606077711.db2.gz RIDFGCJALYOZTM-AWEZNQCLSA-N -1 3 380.412 0.781 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821660133 606082422 /nfs/dbraw/zinc/08/24/22/606082422.db2.gz GZJFLKLVAZTXQX-CYBMUJFWSA-N -1 3 376.442 0.786 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821660133 606082424 /nfs/dbraw/zinc/08/24/24/606082424.db2.gz GZJFLKLVAZTXQX-CYBMUJFWSA-N -1 3 376.442 0.786 20 0 GCADHM O=C1[C@@H](N2CC[C@](O)(C(F)(F)F)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823503051 606084325 /nfs/dbraw/zinc/08/43/25/606084325.db2.gz ARQBBLFBKGCJNV-SWLSCSKDSA-N -1 3 382.346 0.971 20 0 GCADHM O=C1[C@@H](N2CC[C@](O)(C(F)(F)F)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823503051 606084330 /nfs/dbraw/zinc/08/43/30/606084330.db2.gz ARQBBLFBKGCJNV-SWLSCSKDSA-N -1 3 382.346 0.971 20 0 GCADHM COCCNS(=O)(=O)c1cccc(CNc2ccc(-c3nnn[n-]3)nc2)c1 ZINC000821691092 606087419 /nfs/dbraw/zinc/08/74/19/606087419.db2.gz IEWYNIIDMBDGNR-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM COCCNS(=O)(=O)c1cccc(CNc2ccc(-c3nn[n-]n3)nc2)c1 ZINC000821691092 606087424 /nfs/dbraw/zinc/08/74/24/606087424.db2.gz IEWYNIIDMBDGNR-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM O=C(CN1CCn2c(CO)nnc2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823002172 606090075 /nfs/dbraw/zinc/09/00/75/606090075.db2.gz UOPCOCHFQVHNKA-UHFFFAOYSA-N -1 3 389.807 0.058 20 0 GCADHM O=C(CN1CCn2c(CO)nnc2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823002172 606090079 /nfs/dbraw/zinc/09/00/79/606090079.db2.gz UOPCOCHFQVHNKA-UHFFFAOYSA-N -1 3 389.807 0.058 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC(NC(N)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000822541001 606090454 /nfs/dbraw/zinc/09/04/54/606090454.db2.gz KDSTWXCCVDDILX-SECBINFHSA-N -1 3 376.421 0.536 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC(NC(N)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000822541001 606090458 /nfs/dbraw/zinc/09/04/58/606090458.db2.gz KDSTWXCCVDDILX-SECBINFHSA-N -1 3 376.421 0.536 20 0 GCADHM C[C@]1(C2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)NC(=O)NC1=O ZINC000820612925 606096243 /nfs/dbraw/zinc/09/62/43/606096243.db2.gz NYTIVDWIDUXDQL-GOSISDBHSA-N -1 3 398.427 0.115 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821635989 606101770 /nfs/dbraw/zinc/10/17/70/606101770.db2.gz AMPCALGWHFKLDJ-MRVPVSSYSA-N -1 3 391.379 0.799 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821635989 606101773 /nfs/dbraw/zinc/10/17/73/606101773.db2.gz AMPCALGWHFKLDJ-MRVPVSSYSA-N -1 3 391.379 0.799 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000819922227 606109380 /nfs/dbraw/zinc/10/93/80/606109380.db2.gz HSSHCONZVZWHNC-AWEZNQCLSA-N -1 3 389.412 0.815 20 0 GCADHM Cc1sc(NC(=O)CN2CCNC(=O)[C@@H]2C(C)C)c(-c2nnn[n-]2)c1C ZINC000822559235 606110797 /nfs/dbraw/zinc/11/07/97/606110797.db2.gz ZARJUZPNDWTIPQ-ZDUSSCGKSA-N -1 3 377.474 0.940 20 0 GCADHM Cc1sc(NC(=O)CN2CCNC(=O)[C@@H]2C(C)C)c(-c2nn[n-]n2)c1C ZINC000822559235 606110798 /nfs/dbraw/zinc/11/07/98/606110798.db2.gz ZARJUZPNDWTIPQ-ZDUSSCGKSA-N -1 3 377.474 0.940 20 0 GCADHM CCOC(=O)[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000821325615 606113445 /nfs/dbraw/zinc/11/34/45/606113445.db2.gz HSQCSDNMVMLANY-LLVKDONJSA-N -1 3 394.457 0.747 20 0 GCADHM CCOC(=O)[C@H]1CN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CCO1 ZINC000821325615 606113449 /nfs/dbraw/zinc/11/34/49/606113449.db2.gz HSQCSDNMVMLANY-LLVKDONJSA-N -1 3 394.457 0.747 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC[C@H](CC(N)=O)C2)c(-c2nnn[n-]2)c1C ZINC000822541668 606114411 /nfs/dbraw/zinc/11/44/11/606114411.db2.gz PLZQODPDHDREPE-CMPLNLGQSA-N -1 3 375.433 0.991 20 0 GCADHM C[C@@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nnn[n-]2)c1 ZINC000820321544 606117065 /nfs/dbraw/zinc/11/70/65/606117065.db2.gz IDKINAHFFCXQBK-HWPZZCPQSA-N -1 3 399.436 0.774 20 0 GCADHM C[C@@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nn[n-]n2)c1 ZINC000820321544 606117066 /nfs/dbraw/zinc/11/70/66/606117066.db2.gz IDKINAHFFCXQBK-HWPZZCPQSA-N -1 3 399.436 0.774 20 0 GCADHM C[C@H](C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)c1cnn(C)c1 ZINC000819877553 606117183 /nfs/dbraw/zinc/11/71/83/606117183.db2.gz YEGNNJRQPZWBAD-NSHDSACASA-N -1 3 378.400 0.982 20 0 GCADHM C[C@H](C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)c1cnn(C)c1 ZINC000819877553 606117185 /nfs/dbraw/zinc/11/71/85/606117185.db2.gz YEGNNJRQPZWBAD-NSHDSACASA-N -1 3 378.400 0.982 20 0 GCADHM Cn1cc(N2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2=O)cn1 ZINC000822680382 606117545 /nfs/dbraw/zinc/11/75/45/606117545.db2.gz NCMXJXVMWNIQCI-VOTSOKGWSA-N -1 3 378.396 0.489 20 0 GCADHM Cn1cc(N2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2=O)cn1 ZINC000822680382 606117547 /nfs/dbraw/zinc/11/75/47/606117547.db2.gz NCMXJXVMWNIQCI-VOTSOKGWSA-N -1 3 378.396 0.489 20 0 GCADHM O=C(CCN1CCO[C@@H](CO)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000822969453 606117560 /nfs/dbraw/zinc/11/75/60/606117560.db2.gz OQWMHPINYMUNDR-LLVKDONJSA-N -1 3 392.485 0.829 20 0 GCADHM O=C(CCN1CCO[C@@H](CO)C1)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000822969453 606117561 /nfs/dbraw/zinc/11/75/61/606117561.db2.gz OQWMHPINYMUNDR-LLVKDONJSA-N -1 3 392.485 0.829 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000820295089 606121878 /nfs/dbraw/zinc/12/18/78/606121878.db2.gz XVNSIZPBUPGHQV-LLVKDONJSA-N -1 3 396.448 0.335 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820293469 606130897 /nfs/dbraw/zinc/13/08/97/606130897.db2.gz KCVPMMUROAENHU-VIFPVBQESA-N -1 3 392.397 0.641 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820293469 606130898 /nfs/dbraw/zinc/13/08/98/606130898.db2.gz KCVPMMUROAENHU-VIFPVBQESA-N -1 3 392.397 0.641 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000819789216 606131487 /nfs/dbraw/zinc/13/14/87/606131487.db2.gz KMPBUICASHTQFM-GOSISDBHSA-N -1 3 386.412 0.285 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000819789216 606131488 /nfs/dbraw/zinc/13/14/88/606131488.db2.gz KMPBUICASHTQFM-GOSISDBHSA-N -1 3 386.412 0.285 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000819789744 606131918 /nfs/dbraw/zinc/13/19/18/606131918.db2.gz WVWPDIUSULKLNQ-ADLMAVQZSA-N -1 3 386.412 0.995 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000819789744 606131920 /nfs/dbraw/zinc/13/19/20/606131920.db2.gz WVWPDIUSULKLNQ-ADLMAVQZSA-N -1 3 386.412 0.995 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000822873414 606138135 /nfs/dbraw/zinc/13/81/35/606138135.db2.gz ANICRXKTGFIBMI-AWEZNQCLSA-N -1 3 388.407 0.198 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822880325 606140878 /nfs/dbraw/zinc/14/08/78/606140878.db2.gz MWABZIFQMOIWTE-UHFFFAOYSA-N -1 3 389.759 0.743 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822880325 606140879 /nfs/dbraw/zinc/14/08/79/606140879.db2.gz MWABZIFQMOIWTE-UHFFFAOYSA-N -1 3 389.759 0.743 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000822880664 606140949 /nfs/dbraw/zinc/14/09/49/606140949.db2.gz XRIASILTOBVKKV-ZDUSSCGKSA-N -1 3 381.352 0.256 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000822880664 606140951 /nfs/dbraw/zinc/14/09/51/606140951.db2.gz XRIASILTOBVKKV-ZDUSSCGKSA-N -1 3 381.352 0.256 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820146378 606141486 /nfs/dbraw/zinc/14/14/86/606141486.db2.gz MTUDAFKNFZRDCT-UHFFFAOYSA-N -1 3 398.464 0.883 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000820146378 606141488 /nfs/dbraw/zinc/14/14/88/606141488.db2.gz MTUDAFKNFZRDCT-UHFFFAOYSA-N -1 3 398.464 0.883 20 0 GCADHM Cn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)C2)cn1 ZINC000822673820 606145102 /nfs/dbraw/zinc/14/51/02/606145102.db2.gz CMXXZHRTMPUDMK-LLVKDONJSA-N -1 3 391.432 0.993 20 0 GCADHM Cn1cc(C[C@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)C2)cn1 ZINC000822673820 606145104 /nfs/dbraw/zinc/14/51/04/606145104.db2.gz CMXXZHRTMPUDMK-LLVKDONJSA-N -1 3 391.432 0.993 20 0 GCADHM Nc1ncnc2c1ncn2CC(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822907233 606149632 /nfs/dbraw/zinc/14/96/32/606149632.db2.gz CLDJMAKALPAXRO-UHFFFAOYSA-N -1 3 395.383 0.601 20 0 GCADHM COC(=O)c1cn(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)nn1 ZINC000821671375 606151054 /nfs/dbraw/zinc/15/10/54/606151054.db2.gz TVVOZVGIVUWIQP-UHFFFAOYSA-N -1 3 386.372 0.671 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CCCCCCO)CC1 ZINC000823600653 606153919 /nfs/dbraw/zinc/15/39/19/606153919.db2.gz JYDKWZLZNOGBDM-UHFFFAOYSA-N -1 3 394.501 0.726 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CCCCCCO)CC1 ZINC000823600653 606153920 /nfs/dbraw/zinc/15/39/20/606153920.db2.gz JYDKWZLZNOGBDM-UHFFFAOYSA-N -1 3 394.501 0.726 20 0 GCADHM Cn1cc(N2CCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2=O)cn1 ZINC000822679349 606154089 /nfs/dbraw/zinc/15/40/89/606154089.db2.gz BRINBUFVIOIUJL-UHFFFAOYSA-N -1 3 385.363 0.620 20 0 GCADHM Cn1cc(N2CCN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2=O)cn1 ZINC000822679349 606154090 /nfs/dbraw/zinc/15/40/90/606154090.db2.gz BRINBUFVIOIUJL-UHFFFAOYSA-N -1 3 385.363 0.620 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823009305 606155269 /nfs/dbraw/zinc/15/52/69/606155269.db2.gz CPFLDSPHVONJGI-OAHLLOKOSA-N -1 3 385.428 0.175 20 0 GCADHM C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380659 606161340 /nfs/dbraw/zinc/16/13/40/606161340.db2.gz XYKGZSDVFBRKAF-SNVBAGLBSA-N -1 3 384.404 0.429 20 0 GCADHM C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000820380659 606161342 /nfs/dbraw/zinc/16/13/42/606161342.db2.gz XYKGZSDVFBRKAF-SNVBAGLBSA-N -1 3 384.404 0.429 20 0 GCADHM NC(=O)c1ccc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c(F)c1 ZINC000822885970 606162246 /nfs/dbraw/zinc/16/22/46/606162246.db2.gz WQLWFCKBYHEGAD-UHFFFAOYSA-N -1 3 385.363 0.733 20 0 GCADHM NC(=O)c1ccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c(F)c1 ZINC000822885970 606162248 /nfs/dbraw/zinc/16/22/48/606162248.db2.gz WQLWFCKBYHEGAD-UHFFFAOYSA-N -1 3 385.363 0.733 20 0 GCADHM CO[C@H](C)c1noc(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821675863 606168196 /nfs/dbraw/zinc/16/81/96/606168196.db2.gz VJAKIVBDVKWONR-SECBINFHSA-N -1 3 387.356 0.430 20 0 GCADHM CO[C@H](C)c1noc(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821675863 606168197 /nfs/dbraw/zinc/16/81/97/606168197.db2.gz VJAKIVBDVKWONR-SECBINFHSA-N -1 3 387.356 0.430 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000821400956 606174504 /nfs/dbraw/zinc/17/45/04/606174504.db2.gz QUMILYFIALBSEA-STQMWFEESA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1CO ZINC000821400956 606174506 /nfs/dbraw/zinc/17/45/06/606174506.db2.gz QUMILYFIALBSEA-STQMWFEESA-N -1 3 388.428 0.871 20 0 GCADHM CCN(CC)C(=O)CN(CCOC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821175174 606176890 /nfs/dbraw/zinc/17/68/90/606176890.db2.gz HFYWNUJNIBHAHZ-UHFFFAOYSA-N -1 3 396.473 0.372 20 0 GCADHM CCN(CC)C(=O)CN(CCOC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821175174 606176891 /nfs/dbraw/zinc/17/68/91/606176891.db2.gz HFYWNUJNIBHAHZ-UHFFFAOYSA-N -1 3 396.473 0.372 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCc2cn3ccccc3c2-c2nnn[n-]2)c1 ZINC000822868560 606178030 /nfs/dbraw/zinc/17/80/30/606178030.db2.gz DADCEUKHRAARIH-UHFFFAOYSA-N -1 3 391.391 0.914 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OCc2cn3ccccc3c2-c2nn[n-]n2)c1 ZINC000822868560 606178031 /nfs/dbraw/zinc/17/80/31/606178031.db2.gz DADCEUKHRAARIH-UHFFFAOYSA-N -1 3 391.391 0.914 20 0 GCADHM CO[C@H](C)c1nc(C)c(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)s1 ZINC000821676029 606178749 /nfs/dbraw/zinc/17/87/49/606178749.db2.gz ZUGBCOQHUIHYKK-MRVPVSSYSA-N -1 3 378.418 0.975 20 0 GCADHM CO[C@H](C)c1nc(C)c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)s1 ZINC000821676029 606178750 /nfs/dbraw/zinc/17/87/50/606178750.db2.gz ZUGBCOQHUIHYKK-MRVPVSSYSA-N -1 3 378.418 0.975 20 0 GCADHM CCN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821215743 606186025 /nfs/dbraw/zinc/18/60/25/606186025.db2.gz TUMPYONXXMPVHX-ZDUSSCGKSA-N -1 3 399.498 0.149 20 0 GCADHM CCN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821215743 606186026 /nfs/dbraw/zinc/18/60/26/606186026.db2.gz TUMPYONXXMPVHX-ZDUSSCGKSA-N -1 3 399.498 0.149 20 0 GCADHM CCN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821215742 606186155 /nfs/dbraw/zinc/18/61/55/606186155.db2.gz TUMPYONXXMPVHX-CYBMUJFWSA-N -1 3 399.498 0.149 20 0 GCADHM CCN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821215742 606186158 /nfs/dbraw/zinc/18/61/58/606186158.db2.gz TUMPYONXXMPVHX-CYBMUJFWSA-N -1 3 399.498 0.149 20 0 GCADHM NC(=O)CN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000822868745 606186505 /nfs/dbraw/zinc/18/65/05/606186505.db2.gz GXLOVEVRGMHDNV-UHFFFAOYSA-N -1 3 378.458 0.370 20 0 GCADHM NC(=O)CN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000822868745 606186507 /nfs/dbraw/zinc/18/65/07/606186507.db2.gz GXLOVEVRGMHDNV-UHFFFAOYSA-N -1 3 378.458 0.370 20 0 GCADHM Cc1nc(CCN(C)CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822440418 606187858 /nfs/dbraw/zinc/18/78/58/606187858.db2.gz LULSVQTVXGSVDP-UHFFFAOYSA-N -1 3 377.430 0.506 20 0 GCADHM Cc1nc(CCN(C)CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822440418 606187860 /nfs/dbraw/zinc/18/78/60/606187860.db2.gz LULSVQTVXGSVDP-UHFFFAOYSA-N -1 3 377.430 0.506 20 0 GCADHM O=S(=O)(CCN1CCC[C@H](C2OCCO2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823561703 606188406 /nfs/dbraw/zinc/18/84/06/606188406.db2.gz JWGDUBVEKWKEMT-AWEZNQCLSA-N -1 3 393.469 0.725 20 0 GCADHM O=S(=O)(CCN1CCC[C@H](C2OCCO2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823561703 606188408 /nfs/dbraw/zinc/18/84/08/606188408.db2.gz JWGDUBVEKWKEMT-AWEZNQCLSA-N -1 3 393.469 0.725 20 0 GCADHM O=S(=O)(CCN1CCCC[C@H]1C1OCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562398 606188833 /nfs/dbraw/zinc/18/88/33/606188833.db2.gz RLQQJNKDJYSDAG-HNNXBMFYSA-N -1 3 393.469 0.868 20 0 GCADHM O=S(=O)(CCN1CCCC[C@H]1C1OCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562398 606188834 /nfs/dbraw/zinc/18/88/34/606188834.db2.gz RLQQJNKDJYSDAG-HNNXBMFYSA-N -1 3 393.469 0.868 20 0 GCADHM C[C@@H](NC(=O)N1CCN(C(C)(C)C(N)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820348481 606193528 /nfs/dbraw/zinc/19/35/28/606193528.db2.gz DBHKLDZBKVHELS-GFCCVEGCSA-N -1 3 386.460 0.519 20 0 GCADHM C[C@@H](NC(=O)N1CCN(C(C)(C)C(N)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820348481 606193530 /nfs/dbraw/zinc/19/35/30/606193530.db2.gz DBHKLDZBKVHELS-GFCCVEGCSA-N -1 3 386.460 0.519 20 0 GCADHM Cc1cncc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000822399395 606195595 /nfs/dbraw/zinc/19/55/95/606195595.db2.gz GLFGCCBVTKBIIO-UHFFFAOYSA-N -1 3 392.423 0.857 20 0 GCADHM Cc1cncc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000822399395 606195597 /nfs/dbraw/zinc/19/55/97/606195597.db2.gz GLFGCCBVTKBIIO-UHFFFAOYSA-N -1 3 392.423 0.857 20 0 GCADHM C[C@H]1CN=C(N2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)S1 ZINC000820804000 606198103 /nfs/dbraw/zinc/19/81/03/606198103.db2.gz KWKJLFBYOAOZMI-LBPRGKRZSA-N -1 3 386.485 0.914 20 0 GCADHM C[C@H]1CN=C(N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)S1 ZINC000820804000 606198104 /nfs/dbraw/zinc/19/81/04/606198104.db2.gz KWKJLFBYOAOZMI-LBPRGKRZSA-N -1 3 386.485 0.914 20 0 GCADHM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000821675890 606202526 /nfs/dbraw/zinc/20/25/26/606202526.db2.gz VUQJMHJPUONNCM-QMMMGPOBSA-N -1 3 397.392 0.917 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000822637051 606210730 /nfs/dbraw/zinc/21/07/30/606210730.db2.gz NRYDCKMVCVMOSB-MRXNPFEDSA-N -1 3 381.440 0.836 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000822637051 606210731 /nfs/dbraw/zinc/21/07/31/606210731.db2.gz NRYDCKMVCVMOSB-MRXNPFEDSA-N -1 3 381.440 0.836 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000822655823 606217453 /nfs/dbraw/zinc/21/74/53/606217453.db2.gz YYVDIRJWIGKCSC-UHFFFAOYSA-N -1 3 387.425 0.898 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000822655823 606217454 /nfs/dbraw/zinc/21/74/54/606217454.db2.gz YYVDIRJWIGKCSC-UHFFFAOYSA-N -1 3 387.425 0.898 20 0 GCADHM COc1cccc(C(=O)N2CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)c1 ZINC000821854646 606219576 /nfs/dbraw/zinc/21/95/76/606219576.db2.gz QDMHUNRKTVQQRH-UHFFFAOYSA-N -1 3 395.423 0.812 20 0 GCADHM COc1cccc(C(=O)N2CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)c1 ZINC000821854646 606219577 /nfs/dbraw/zinc/21/95/77/606219577.db2.gz QDMHUNRKTVQQRH-UHFFFAOYSA-N -1 3 395.423 0.812 20 0 GCADHM CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821635001 606225158 /nfs/dbraw/zinc/22/51/58/606225158.db2.gz GFTUQBCNOKUCNB-UHFFFAOYSA-N -1 3 385.384 0.834 20 0 GCADHM CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821635001 606225160 /nfs/dbraw/zinc/22/51/60/606225160.db2.gz GFTUQBCNOKUCNB-UHFFFAOYSA-N -1 3 385.384 0.834 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000822641547 606228709 /nfs/dbraw/zinc/22/87/09/606228709.db2.gz POFKBDPJJYIPHX-UHFFFAOYSA-N -1 3 389.441 0.055 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000822641547 606228710 /nfs/dbraw/zinc/22/87/10/606228710.db2.gz POFKBDPJJYIPHX-UHFFFAOYSA-N -1 3 389.441 0.055 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)NC(=O)NC1CCCCC1 ZINC000820500340 606232310 /nfs/dbraw/zinc/23/23/10/606232310.db2.gz DKQMBLWOGBSERP-SECBINFHSA-N -1 3 375.389 0.899 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)NC(=O)NC1CCCCC1 ZINC000820500340 606232311 /nfs/dbraw/zinc/23/23/11/606232311.db2.gz DKQMBLWOGBSERP-SECBINFHSA-N -1 3 375.389 0.899 20 0 GCADHM CCn1cncc1S(=O)(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821566387 606234307 /nfs/dbraw/zinc/23/43/07/606234307.db2.gz BLKMZGVBMFEFGE-UHFFFAOYSA-N -1 3 391.457 0.920 20 0 GCADHM CCn1cncc1S(=O)(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821566387 606234309 /nfs/dbraw/zinc/23/43/09/606234309.db2.gz BLKMZGVBMFEFGE-UHFFFAOYSA-N -1 3 391.457 0.920 20 0 GCADHM O=S(=O)(NCCNc1ccc(-c2nnn[n-]2)cn1)C1Cc2ccccc2C1 ZINC000823578073 606235033 /nfs/dbraw/zinc/23/50/33/606235033.db2.gz HGZUVSBZBVWCGM-UHFFFAOYSA-N -1 3 385.453 0.760 20 0 GCADHM O=S(=O)(NCCNc1ccc(-c2nn[n-]n2)cn1)C1Cc2ccccc2C1 ZINC000823578073 606235035 /nfs/dbraw/zinc/23/50/35/606235035.db2.gz HGZUVSBZBVWCGM-UHFFFAOYSA-N -1 3 385.453 0.760 20 0 GCADHM CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821636075 606235754 /nfs/dbraw/zinc/23/57/54/606235754.db2.gz DIHDODZTYJSDHQ-VIFPVBQESA-N -1 3 383.368 0.738 20 0 GCADHM CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821636075 606235756 /nfs/dbraw/zinc/23/57/56/606235756.db2.gz DIHDODZTYJSDHQ-VIFPVBQESA-N -1 3 383.368 0.738 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000820769505 606237796 /nfs/dbraw/zinc/23/77/96/606237796.db2.gz UWIZTZRZIULOLS-DOMZBBRYSA-N -1 3 378.458 0.208 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820769505 606237797 /nfs/dbraw/zinc/23/77/97/606237797.db2.gz UWIZTZRZIULOLS-DOMZBBRYSA-N -1 3 378.458 0.208 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1N1CCOCC1 ZINC000820769507 606237965 /nfs/dbraw/zinc/23/79/65/606237965.db2.gz UWIZTZRZIULOLS-SWLSCSKDSA-N -1 3 378.458 0.208 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820769507 606237967 /nfs/dbraw/zinc/23/79/67/606237967.db2.gz UWIZTZRZIULOLS-SWLSCSKDSA-N -1 3 378.458 0.208 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000822222621 606239217 /nfs/dbraw/zinc/23/92/17/606239217.db2.gz OCSYETWSHCIXGY-AWEZNQCLSA-N -1 3 389.441 0.671 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000822222621 606239218 /nfs/dbraw/zinc/23/92/18/606239218.db2.gz OCSYETWSHCIXGY-AWEZNQCLSA-N -1 3 389.441 0.671 20 0 GCADHM COc1cc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)ccc1OCC(=O)N(C)C ZINC000821716610 606257336 /nfs/dbraw/zinc/25/73/36/606257336.db2.gz BREWKKAOOZCECT-UHFFFAOYSA-N -1 3 399.411 0.600 20 0 GCADHM COc1cc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)ccc1OCC(=O)N(C)C ZINC000821716610 606257338 /nfs/dbraw/zinc/25/73/38/606257338.db2.gz BREWKKAOOZCECT-UHFFFAOYSA-N -1 3 399.411 0.600 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCCN1C(=O)COc2ccccc21 ZINC000822637581 606257794 /nfs/dbraw/zinc/25/77/94/606257794.db2.gz QSTAFKFAYARBEP-UHFFFAOYSA-N -1 3 381.396 0.751 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCCN1C(=O)COc2ccccc21 ZINC000822637581 606257797 /nfs/dbraw/zinc/25/77/97/606257797.db2.gz QSTAFKFAYARBEP-UHFFFAOYSA-N -1 3 381.396 0.751 20 0 GCADHM Cn1ccnc1[C@@](O)(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC000822693552 606261094 /nfs/dbraw/zinc/26/10/94/606261094.db2.gz FOQHFWKHVCJOGQ-ZDUSSCGKSA-N -1 3 384.322 0.498 20 0 GCADHM Cn1ccnc1[C@@](O)(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC000822693552 606261095 /nfs/dbraw/zinc/26/10/95/606261095.db2.gz FOQHFWKHVCJOGQ-ZDUSSCGKSA-N -1 3 384.322 0.498 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000823466333 606263271 /nfs/dbraw/zinc/26/32/71/606263271.db2.gz JDWIZPPESDXSOQ-UHFFFAOYSA-N -1 3 387.366 0.922 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000823466333 606263272 /nfs/dbraw/zinc/26/32/72/606263272.db2.gz JDWIZPPESDXSOQ-UHFFFAOYSA-N -1 3 387.366 0.922 20 0 GCADHM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823367733 606263298 /nfs/dbraw/zinc/26/32/98/606263298.db2.gz OJRUYXAESZZJGK-UHFFFAOYSA-N -1 3 387.425 0.682 20 0 GCADHM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823367733 606263300 /nfs/dbraw/zinc/26/33/00/606263300.db2.gz OJRUYXAESZZJGK-UHFFFAOYSA-N -1 3 387.425 0.682 20 0 GCADHM O=C(NCc1ccccc1OCCN1CCOCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823261891 606264730 /nfs/dbraw/zinc/26/47/30/606264730.db2.gz VTJHXABQVHHOOV-UHFFFAOYSA-N -1 3 397.439 0.836 20 0 GCADHM O=C(NCc1ccccc1OCCN1CCOCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823261891 606264731 /nfs/dbraw/zinc/26/47/31/606264731.db2.gz VTJHXABQVHHOOV-UHFFFAOYSA-N -1 3 397.439 0.836 20 0 GCADHM O=C(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(Cc2ccccc2)CC1 ZINC000823161586 606267211 /nfs/dbraw/zinc/26/72/11/606267211.db2.gz OPZGCJVXRBWNKV-UHFFFAOYSA-N -1 3 394.439 0.269 20 0 GCADHM O=C(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(Cc2ccccc2)CC1 ZINC000823161586 606267212 /nfs/dbraw/zinc/26/72/12/606267212.db2.gz OPZGCJVXRBWNKV-UHFFFAOYSA-N -1 3 394.439 0.269 20 0 GCADHM CC(C)OCCCNC(=O)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000820142721 606269533 /nfs/dbraw/zinc/26/95/33/606269533.db2.gz SRRMICOHPPEXRL-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)OCCCNC(=O)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000820142721 606269534 /nfs/dbraw/zinc/26/95/34/606269534.db2.gz SRRMICOHPPEXRL-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000820570716 606272235 /nfs/dbraw/zinc/27/22/35/606272235.db2.gz POZNYJTUAUWAGU-JTQLQIEISA-N -1 3 383.416 0.974 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000820570716 606272237 /nfs/dbraw/zinc/27/22/37/606272237.db2.gz POZNYJTUAUWAGU-JTQLQIEISA-N -1 3 383.416 0.974 20 0 GCADHM CN(CC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)S(=O)(=O)c1cccnc1 ZINC000821594080 606272803 /nfs/dbraw/zinc/27/28/03/606272803.db2.gz XSQQXEFWOCINKA-UHFFFAOYSA-N -1 3 391.388 0.660 20 0 GCADHM CN(CC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)S(=O)(=O)c1cccnc1 ZINC000821594080 606272805 /nfs/dbraw/zinc/27/28/05/606272805.db2.gz XSQQXEFWOCINKA-UHFFFAOYSA-N -1 3 391.388 0.660 20 0 GCADHM O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823140504 606274859 /nfs/dbraw/zinc/27/48/59/606274859.db2.gz VIMRVFXQYQLANS-INIZCTEOSA-N -1 3 381.440 0.868 20 0 GCADHM O=C(N[C@@H](Cc1ccccc1)CN1CCOCC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823140504 606274860 /nfs/dbraw/zinc/27/48/60/606274860.db2.gz VIMRVFXQYQLANS-INIZCTEOSA-N -1 3 381.440 0.868 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000821700675 606275663 /nfs/dbraw/zinc/27/56/63/606275663.db2.gz UOBKPWYKWVXLDO-LBPRGKRZSA-N -1 3 384.400 0.805 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000821700675 606275665 /nfs/dbraw/zinc/27/56/65/606275665.db2.gz UOBKPWYKWVXLDO-LBPRGKRZSA-N -1 3 384.400 0.805 20 0 GCADHM CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821636133 606275811 /nfs/dbraw/zinc/27/58/11/606275811.db2.gz GZMSPSGHGYNAIQ-UHFFFAOYSA-N -1 3 389.441 0.184 20 0 GCADHM CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821636133 606275812 /nfs/dbraw/zinc/27/58/12/606275812.db2.gz GZMSPSGHGYNAIQ-UHFFFAOYSA-N -1 3 389.441 0.184 20 0 GCADHM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820261018 606276784 /nfs/dbraw/zinc/27/67/84/606276784.db2.gz LETULRHFXPNPEB-ZDUSSCGKSA-N -1 3 381.444 0.530 20 0 GCADHM C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820261018 606276785 /nfs/dbraw/zinc/27/67/85/606276785.db2.gz LETULRHFXPNPEB-ZDUSSCGKSA-N -1 3 381.444 0.530 20 0 GCADHM CNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cn2C)s1 ZINC000821637793 606277266 /nfs/dbraw/zinc/27/72/66/606277266.db2.gz UFILOCHAKKMPEM-UHFFFAOYSA-N -1 3 381.443 0.105 20 0 GCADHM CNS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cn2C)s1 ZINC000821637793 606277268 /nfs/dbraw/zinc/27/72/68/606277268.db2.gz UFILOCHAKKMPEM-UHFFFAOYSA-N -1 3 381.443 0.105 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000823467601 606278287 /nfs/dbraw/zinc/27/82/87/606278287.db2.gz YODUNKKENJZJDU-OAHLLOKOSA-N -1 3 397.439 0.393 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000823467601 606278289 /nfs/dbraw/zinc/27/82/89/606278289.db2.gz YODUNKKENJZJDU-OAHLLOKOSA-N -1 3 397.439 0.393 20 0 GCADHM CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821637639 606280403 /nfs/dbraw/zinc/28/04/03/606280403.db2.gz NXHBQMKHWPRHKT-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821637639 606280404 /nfs/dbraw/zinc/28/04/04/606280404.db2.gz NXHBQMKHWPRHKT-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000822628279 606280612 /nfs/dbraw/zinc/28/06/12/606280612.db2.gz VIZJLNRWCQAFMD-UHFFFAOYSA-N -1 3 394.439 0.262 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000822628279 606280614 /nfs/dbraw/zinc/28/06/14/606280614.db2.gz VIZJLNRWCQAFMD-UHFFFAOYSA-N -1 3 394.439 0.262 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000822649690 606280631 /nfs/dbraw/zinc/28/06/31/606280631.db2.gz JCZMJDCKUXCKGS-QGZVFWFLSA-N -1 3 380.368 0.512 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000822649690 606280633 /nfs/dbraw/zinc/28/06/33/606280633.db2.gz JCZMJDCKUXCKGS-QGZVFWFLSA-N -1 3 380.368 0.512 20 0 GCADHM CCOCCCNC(=O)C1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000821377514 606285978 /nfs/dbraw/zinc/28/59/78/606285978.db2.gz DDSOLIDOIJPQCE-UHFFFAOYSA-N -1 3 389.460 0.600 20 0 GCADHM CCOCCCNC(=O)C1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000821377514 606285980 /nfs/dbraw/zinc/28/59/80/606285980.db2.gz DDSOLIDOIJPQCE-UHFFFAOYSA-N -1 3 389.460 0.600 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCC1(O)CCC2(CC1)OCCO2 ZINC000823036551 606286192 /nfs/dbraw/zinc/28/61/92/606286192.db2.gz GSPCAGBLZRWGHU-UHFFFAOYSA-N -1 3 389.412 0.410 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCC1(O)CCC2(CC1)OCCO2 ZINC000823043888 606286212 /nfs/dbraw/zinc/28/62/12/606286212.db2.gz LDUHANYVWLKPTF-UHFFFAOYSA-N -1 3 389.412 0.410 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCC1(O)CCC2(CC1)OCCO2 ZINC000823043888 606286213 /nfs/dbraw/zinc/28/62/13/606286213.db2.gz LDUHANYVWLKPTF-UHFFFAOYSA-N -1 3 389.412 0.410 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000822628278 606287929 /nfs/dbraw/zinc/28/79/29/606287929.db2.gz VIFKWAQUPMFNJU-QGZVFWFLSA-N -1 3 381.440 0.697 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000822628278 606287931 /nfs/dbraw/zinc/28/79/31/606287931.db2.gz VIFKWAQUPMFNJU-QGZVFWFLSA-N -1 3 381.440 0.697 20 0 GCADHM C[C@]1(C2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)NC(=O)NC1=O ZINC000820613180 606288183 /nfs/dbraw/zinc/28/81/83/606288183.db2.gz VVESPMNXQHPTJV-GOSISDBHSA-N -1 3 399.411 0.082 20 0 GCADHM C[C@@]1(C2CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)NC(=O)NC1=O ZINC000820613199 606288376 /nfs/dbraw/zinc/28/83/76/606288376.db2.gz WLCOITYVTHUDEB-HNNXBMFYSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@@]1(C2CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)NC(=O)NC1=O ZINC000820613199 606288377 /nfs/dbraw/zinc/28/83/77/606288377.db2.gz WLCOITYVTHUDEB-HNNXBMFYSA-N -1 3 375.414 0.379 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822266441 606288819 /nfs/dbraw/zinc/28/88/19/606288819.db2.gz ACGYBBUVOOHBQT-UHFFFAOYSA-N -1 3 389.441 0.554 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822266441 606288822 /nfs/dbraw/zinc/28/88/22/606288822.db2.gz ACGYBBUVOOHBQT-UHFFFAOYSA-N -1 3 389.441 0.554 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000822627372 606288880 /nfs/dbraw/zinc/28/88/80/606288880.db2.gz MVFGPKNAQBEOGJ-UHFFFAOYSA-N -1 3 375.330 0.863 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000822627372 606288882 /nfs/dbraw/zinc/28/88/82/606288882.db2.gz MVFGPKNAQBEOGJ-UHFFFAOYSA-N -1 3 375.330 0.863 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(-c3nnn[n-]3)cn1C)CC2 ZINC000821637383 606291551 /nfs/dbraw/zinc/29/15/51/606291551.db2.gz DCZQIIOIYAEPAA-UHFFFAOYSA-N -1 3 387.425 0.316 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(-c3nn[n-]n3)cn1C)CC2 ZINC000821637383 606291553 /nfs/dbraw/zinc/29/15/53/606291553.db2.gz DCZQIIOIYAEPAA-UHFFFAOYSA-N -1 3 387.425 0.316 20 0 GCADHM COc1ccc(CN(CCO)C(=O)c2cc(-c3nnn[n-]3)cn2C)c(OC)c1 ZINC000821794696 606291998 /nfs/dbraw/zinc/29/19/98/606291998.db2.gz KEUOYQRTPOKREW-UHFFFAOYSA-N -1 3 386.412 0.857 20 0 GCADHM COc1ccc(CN(CCO)C(=O)c2cc(-c3nn[n-]n3)cn2C)c(OC)c1 ZINC000821794696 606292000 /nfs/dbraw/zinc/29/20/00/606292000.db2.gz KEUOYQRTPOKREW-UHFFFAOYSA-N -1 3 386.412 0.857 20 0 GCADHM CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820121633 606294183 /nfs/dbraw/zinc/29/41/83/606294183.db2.gz SRUFHLSHQNEZNY-HUUCEWRRSA-N -1 3 397.439 0.488 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000820542990 606294187 /nfs/dbraw/zinc/29/41/87/606294187.db2.gz SMDVYASNKGFCME-LRDDRELGSA-N -1 3 383.412 0.968 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000820542990 606294188 /nfs/dbraw/zinc/29/41/88/606294188.db2.gz SMDVYASNKGFCME-LRDDRELGSA-N -1 3 383.412 0.968 20 0 GCADHM Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822461797 606294757 /nfs/dbraw/zinc/29/47/57/606294757.db2.gz AHQODIFYNWPMOA-CYBMUJFWSA-N -1 3 381.400 0.148 20 0 GCADHM Cc1nc2n(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822461797 606294759 /nfs/dbraw/zinc/29/47/59/606294759.db2.gz AHQODIFYNWPMOA-CYBMUJFWSA-N -1 3 381.400 0.148 20 0 GCADHM COC(=O)[C@@H](NCCNC(=O)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642951 606300204 /nfs/dbraw/zinc/30/02/04/606300204.db2.gz RZDXBYKNTOWUMI-HNNXBMFYSA-N -1 3 381.396 0.495 20 0 GCADHM COC(=O)[C@@H](NCCNC(=O)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642951 606300205 /nfs/dbraw/zinc/30/02/05/606300205.db2.gz RZDXBYKNTOWUMI-HNNXBMFYSA-N -1 3 381.396 0.495 20 0 GCADHM CCc1nnc2n1C[C@@H](N[C@@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821547831 606304617 /nfs/dbraw/zinc/30/46/17/606304617.db2.gz CTGDNPHVLWBTPK-XJKSGUPXSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nnc2n1C[C@@H](N[C@@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821547831 606304619 /nfs/dbraw/zinc/30/46/19/606304619.db2.gz CTGDNPHVLWBTPK-XJKSGUPXSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821510015 606306406 /nfs/dbraw/zinc/30/64/06/606306406.db2.gz SJMUMNQUENBKBC-XJKSGUPXSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821510015 606306407 /nfs/dbraw/zinc/30/64/07/606306407.db2.gz SJMUMNQUENBKBC-XJKSGUPXSA-N -1 3 382.428 0.839 20 0 GCADHM COC(=O)[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821642977 606306833 /nfs/dbraw/zinc/30/68/33/606306833.db2.gz SHDYGLOHDKNJIM-CABCVRRESA-N -1 3 396.411 0.209 20 0 GCADHM COC(=O)[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821642977 606306835 /nfs/dbraw/zinc/30/68/35/606306835.db2.gz SHDYGLOHDKNJIM-CABCVRRESA-N -1 3 396.411 0.209 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820607359 606307371 /nfs/dbraw/zinc/30/73/71/606307371.db2.gz RNYXGNRSQUGHHO-MRXNPFEDSA-N -1 3 390.425 0.361 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820607359 606307373 /nfs/dbraw/zinc/30/73/73/606307373.db2.gz RNYXGNRSQUGHHO-MRXNPFEDSA-N -1 3 390.425 0.361 20 0 GCADHM O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823514453 606308046 /nfs/dbraw/zinc/30/80/46/606308046.db2.gz ZRABGALCEXAUPU-KBPBESRZSA-N -1 3 387.421 0.592 20 0 GCADHM O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823514453 606308048 /nfs/dbraw/zinc/30/80/48/606308048.db2.gz ZRABGALCEXAUPU-KBPBESRZSA-N -1 3 387.421 0.592 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H]1CCCN(C)C1=O ZINC000821701102 606310978 /nfs/dbraw/zinc/31/09/78/606310978.db2.gz BEOQUBAFTMXAEC-CYBMUJFWSA-N -1 3 388.428 0.771 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H]1CCCN(C)C1=O ZINC000821701102 606310979 /nfs/dbraw/zinc/31/09/79/606310979.db2.gz BEOQUBAFTMXAEC-CYBMUJFWSA-N -1 3 388.428 0.771 20 0 GCADHM CN(C)C(=O)C1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821575844 606313581 /nfs/dbraw/zinc/31/35/81/606313581.db2.gz RFXKSBGDARDFCV-ZDUSSCGKSA-N -1 3 389.485 0.834 20 0 GCADHM CN(C)C(=O)C1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821575844 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606593223 /nfs/dbraw/zinc/59/32/23/606593223.db2.gz LBPGNBHMPCJISS-UHFFFAOYSA-N -1 3 392.485 0.777 20 0 GCADHM Cn1cc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(=O)[nH]c1=O ZINC000822669916 606594865 /nfs/dbraw/zinc/59/48/65/606594865.db2.gz UUBJUISATOVOJI-UHFFFAOYSA-N -1 3 396.411 0.065 20 0 GCADHM Cn1cc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(=O)[nH]c1=O ZINC000822669916 606594868 /nfs/dbraw/zinc/59/48/68/606594868.db2.gz UUBJUISATOVOJI-UHFFFAOYSA-N -1 3 396.411 0.065 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820769974 606599725 /nfs/dbraw/zinc/59/97/25/606599725.db2.gz YIDMRKIPGOUCLP-FZMZJTMJSA-N -1 3 393.473 0.336 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820769974 606599726 /nfs/dbraw/zinc/59/97/26/606599726.db2.gz YIDMRKIPGOUCLP-FZMZJTMJSA-N -1 3 393.473 0.336 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@H](CO)c1ccccc1 ZINC000823201265 606600992 /nfs/dbraw/zinc/60/09/92/606600992.db2.gz GBANIBDCRUWEQS-OAHLLOKOSA-N -1 3 382.428 0.749 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@H](CO)c1ccccc1 ZINC000823201265 606600993 /nfs/dbraw/zinc/60/09/93/606600993.db2.gz GBANIBDCRUWEQS-OAHLLOKOSA-N -1 3 382.428 0.749 20 0 GCADHM CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820863584 606604767 /nfs/dbraw/zinc/60/47/67/606604767.db2.gz UMKJPVAKPAKOKC-NWDGAFQWSA-N -1 3 397.443 0.996 20 0 GCADHM CC[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820863584 606604768 /nfs/dbraw/zinc/60/47/68/606604768.db2.gz UMKJPVAKPAKOKC-NWDGAFQWSA-N -1 3 397.443 0.996 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821656148 606605324 /nfs/dbraw/zinc/60/53/24/606605324.db2.gz YPKAZSXXCZOBFE-NSHDSACASA-N -1 3 388.384 0.225 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821656148 606605325 /nfs/dbraw/zinc/60/53/25/606605325.db2.gz YPKAZSXXCZOBFE-NSHDSACASA-N -1 3 388.384 0.225 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821655718 606605537 /nfs/dbraw/zinc/60/55/37/606605537.db2.gz QKBJZBVXAUSOBB-UHFFFAOYSA-N -1 3 376.348 0.356 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821655718 606605539 /nfs/dbraw/zinc/60/55/39/606605539.db2.gz QKBJZBVXAUSOBB-UHFFFAOYSA-N -1 3 376.348 0.356 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000821655330 606605555 /nfs/dbraw/zinc/60/55/55/606605555.db2.gz JLLVJCRELVWSAA-VIFPVBQESA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000821655330 606605557 /nfs/dbraw/zinc/60/55/57/606605557.db2.gz JLLVJCRELVWSAA-VIFPVBQESA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821656147 606605569 /nfs/dbraw/zinc/60/55/69/606605569.db2.gz YPKAZSXXCZOBFE-LLVKDONJSA-N -1 3 388.384 0.225 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821656147 606605570 /nfs/dbraw/zinc/60/55/70/606605570.db2.gz YPKAZSXXCZOBFE-LLVKDONJSA-N -1 3 388.384 0.225 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000821656224 606605637 /nfs/dbraw/zinc/60/56/37/606605637.db2.gz ZZKAXNZZRZBTAK-UHFFFAOYSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000821656224 606605639 /nfs/dbraw/zinc/60/56/39/606605639.db2.gz ZZKAXNZZRZBTAK-UHFFFAOYSA-N -1 3 392.803 0.870 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000823308968 606605984 /nfs/dbraw/zinc/60/59/84/606605984.db2.gz NZNIVILDWMOQBW-UHFFFAOYSA-N -1 3 393.407 0.860 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000823308968 606605986 /nfs/dbraw/zinc/60/59/86/606605986.db2.gz NZNIVILDWMOQBW-UHFFFAOYSA-N -1 3 393.407 0.860 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000822216011 606606939 /nfs/dbraw/zinc/60/69/39/606606939.db2.gz BRKOCWXGJIQRNV-OAHLLOKOSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000822216011 606606940 /nfs/dbraw/zinc/60/69/40/606606940.db2.gz BRKOCWXGJIQRNV-OAHLLOKOSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](CO)Cc2ccccc2)c1-c1nnn[n-]1 ZINC000822313341 606607052 /nfs/dbraw/zinc/60/70/52/606607052.db2.gz LWLHYWJKNQOFCF-CQSZACIVSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](CO)Cc2ccccc2)c1-c1nn[n-]n1 ZINC000822313341 606607053 /nfs/dbraw/zinc/60/70/53/606607053.db2.gz LWLHYWJKNQOFCF-CQSZACIVSA-N -1 3 380.408 0.833 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000821337275 606607896 /nfs/dbraw/zinc/60/78/96/606607896.db2.gz FPSNKUAHSWNVBA-CQSZACIVSA-N -1 3 388.428 0.691 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000821337275 606607898 /nfs/dbraw/zinc/60/78/98/606607898.db2.gz FPSNKUAHSWNVBA-CQSZACIVSA-N -1 3 388.428 0.691 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1=O ZINC000820129295 606609183 /nfs/dbraw/zinc/60/91/83/606609183.db2.gz YAMSOVVTZHHEOM-JTQLQIEISA-N -1 3 375.364 0.070 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000820129295 606609185 /nfs/dbraw/zinc/60/91/85/606609185.db2.gz YAMSOVVTZHHEOM-JTQLQIEISA-N -1 3 375.364 0.070 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000822314980 606610224 /nfs/dbraw/zinc/61/02/24/606610224.db2.gz XLQWLLRUCXHPHZ-OLZOCXBDSA-N -1 3 387.444 0.027 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000822314980 606610226 /nfs/dbraw/zinc/61/02/26/606610226.db2.gz XLQWLLRUCXHPHZ-OLZOCXBDSA-N -1 3 387.444 0.027 20 0 GCADHM Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000822435767 606610264 /nfs/dbraw/zinc/61/02/64/606610264.db2.gz ATQGNNPUZKABKF-LBPRGKRZSA-N -1 3 396.411 0.978 20 0 GCADHM Cc1nc(C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000822435767 606610266 /nfs/dbraw/zinc/61/02/66/606610266.db2.gz ATQGNNPUZKABKF-LBPRGKRZSA-N -1 3 396.411 0.978 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000822216474 606610518 /nfs/dbraw/zinc/61/05/18/606610518.db2.gz PUPLXOFDWQQRPM-OLZOCXBDSA-N -1 3 387.444 0.027 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@H](C)CO ZINC000820280685 606611084 /nfs/dbraw/zinc/61/10/84/606611084.db2.gz MIPSCZIQTCBIFN-HTQZYQBOSA-N -1 3 384.343 0.540 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@H](C)CO ZINC000820280685 606611085 /nfs/dbraw/zinc/61/10/85/606611085.db2.gz MIPSCZIQTCBIFN-HTQZYQBOSA-N -1 3 384.343 0.540 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)CO ZINC000820152414 606611087 /nfs/dbraw/zinc/61/10/87/606611087.db2.gz XNCUEJRKSYGPJG-GHMZBOCLSA-N -1 3 376.417 0.726 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)CO ZINC000820152414 606611088 /nfs/dbraw/zinc/61/10/88/606611088.db2.gz XNCUEJRKSYGPJG-GHMZBOCLSA-N -1 3 376.417 0.726 20 0 GCADHM C[C@@]1(O)CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000820623710 606612046 /nfs/dbraw/zinc/61/20/46/606612046.db2.gz WVERJSOSCHWCMM-OAHLLOKOSA-N -1 3 382.327 0.390 20 0 GCADHM C[C@@]1(O)CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000820623710 606612047 /nfs/dbraw/zinc/61/20/47/606612047.db2.gz WVERJSOSCHWCMM-OAHLLOKOSA-N -1 3 382.327 0.390 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000823331145 606612088 /nfs/dbraw/zinc/61/20/88/606612088.db2.gz BBPIYCKADMMAMD-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000823331145 606612090 /nfs/dbraw/zinc/61/20/90/606612090.db2.gz BBPIYCKADMMAMD-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000823331464 606612276 /nfs/dbraw/zinc/61/22/76/606612276.db2.gz DKQJMJGZGVHDDP-VIFPVBQESA-N -1 3 389.803 0.338 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000823331464 606612277 /nfs/dbraw/zinc/61/22/77/606612277.db2.gz DKQJMJGZGVHDDP-VIFPVBQESA-N -1 3 389.803 0.338 20 0 GCADHM CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000820908901 606612563 /nfs/dbraw/zinc/61/25/63/606612563.db2.gz RDKKSQMAFLLSMF-ZDUSSCGKSA-N -1 3 387.444 0.029 20 0 GCADHM CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000820908901 606612566 /nfs/dbraw/zinc/61/25/66/606612566.db2.gz RDKKSQMAFLLSMF-ZDUSSCGKSA-N -1 3 387.444 0.029 20 0 GCADHM CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821956207 606613246 /nfs/dbraw/zinc/61/32/46/606613246.db2.gz JOZRRBHGRPFMOY-VIFPVBQESA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821956207 606613248 /nfs/dbraw/zinc/61/32/48/606613248.db2.gz JOZRRBHGRPFMOY-VIFPVBQESA-N -1 3 384.849 0.689 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)OC1CCCC1 ZINC000822000377 606613271 /nfs/dbraw/zinc/61/32/71/606613271.db2.gz LJXOYGLUYPSKCK-VIFPVBQESA-N -1 3 390.375 0.935 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)OC1CCCC1 ZINC000822000377 606613273 /nfs/dbraw/zinc/61/32/73/606613273.db2.gz LJXOYGLUYPSKCK-VIFPVBQESA-N -1 3 390.375 0.935 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)c1 ZINC000821863073 606613406 /nfs/dbraw/zinc/61/34/06/606613406.db2.gz HNDRTAICKZPFQT-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)c1 ZINC000821863073 606613407 /nfs/dbraw/zinc/61/34/07/606613407.db2.gz HNDRTAICKZPFQT-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000821864145 606613486 /nfs/dbraw/zinc/61/34/86/606613486.db2.gz UGBVCTYDEAPGCK-MRXNPFEDSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000821864145 606613487 /nfs/dbraw/zinc/61/34/87/606613487.db2.gz UGBVCTYDEAPGCK-MRXNPFEDSA-N -1 3 396.407 0.972 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)OC1CCCCC1 ZINC000823000711 606614039 /nfs/dbraw/zinc/61/40/39/606614039.db2.gz DABQUNXFNXRPKL-UHFFFAOYSA-N -1 3 390.375 0.936 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)OC1CCCCC1 ZINC000823000711 606614040 /nfs/dbraw/zinc/61/40/40/606614040.db2.gz DABQUNXFNXRPKL-UHFFFAOYSA-N -1 3 390.375 0.936 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000822874339 606614701 /nfs/dbraw/zinc/61/47/01/606614701.db2.gz YCQHHAYVOZIZGI-UHFFFAOYSA-N -1 3 399.367 0.354 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000822874339 606614703 /nfs/dbraw/zinc/61/47/03/606614703.db2.gz YCQHHAYVOZIZGI-UHFFFAOYSA-N -1 3 399.367 0.354 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000822873732 606614857 /nfs/dbraw/zinc/61/48/57/606614857.db2.gz HFTTWEIIOUZGJZ-UHFFFAOYSA-N -1 3 379.380 0.849 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000822873732 606614859 /nfs/dbraw/zinc/61/48/59/606614859.db2.gz HFTTWEIIOUZGJZ-UHFFFAOYSA-N -1 3 379.380 0.849 20 0 GCADHM O=C(COC(=O)CCOC1CCOCC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823018218 606616391 /nfs/dbraw/zinc/61/63/91/606616391.db2.gz ISFJHSVMJARFEN-UHFFFAOYSA-N -1 3 389.412 0.612 20 0 GCADHM O=C(COC(=O)CCOC1CCOCC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823018218 606616393 /nfs/dbraw/zinc/61/63/93/606616393.db2.gz ISFJHSVMJARFEN-UHFFFAOYSA-N -1 3 389.412 0.612 20 0 GCADHM CNC(=O)Cc1noc(CN2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000821633723 606616424 /nfs/dbraw/zinc/61/64/24/606616424.db2.gz AICOYUIAWIRNDG-UHFFFAOYSA-N -1 3 398.427 0.582 20 0 GCADHM CNC(=O)Cc1noc(CSCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821634065 606618642 /nfs/dbraw/zinc/61/86/42/606618642.db2.gz QDJHLSWDRPYINR-UHFFFAOYSA-N -1 3 375.414 0.850 20 0 GCADHM CNC(=O)Cc1noc(CSCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821634065 606618644 /nfs/dbraw/zinc/61/86/44/606618644.db2.gz QDJHLSWDRPYINR-UHFFFAOYSA-N -1 3 375.414 0.850 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000821937536 606619600 /nfs/dbraw/zinc/61/96/00/606619600.db2.gz NMXVXXPCKWAJNP-UHFFFAOYSA-N -1 3 376.398 0.439 20 0 GCADHM CS(=O)(=O)NCc1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)o1 ZINC000821937536 606619602 /nfs/dbraw/zinc/61/96/02/606619602.db2.gz NMXVXXPCKWAJNP-UHFFFAOYSA-N -1 3 376.398 0.439 20 0 GCADHM Cc1oc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1S(=O)(=O)N(C)C ZINC000822540407 606619860 /nfs/dbraw/zinc/61/98/60/606619860.db2.gz AMFHRIGVAJVTGH-UHFFFAOYSA-N -1 3 390.425 0.948 20 0 GCADHM Cc1oc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1S(=O)(=O)N(C)C ZINC000822540407 606619862 /nfs/dbraw/zinc/61/98/62/606619862.db2.gz AMFHRIGVAJVTGH-UHFFFAOYSA-N -1 3 390.425 0.948 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821636100 606623574 /nfs/dbraw/zinc/62/35/74/606623574.db2.gz FQISXWXHTUCLJS-NWDGAFQWSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821636100 606623576 /nfs/dbraw/zinc/62/35/76/606623576.db2.gz FQISXWXHTUCLJS-NWDGAFQWSA-N -1 3 393.473 0.207 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823043598 606623842 /nfs/dbraw/zinc/62/38/42/606623842.db2.gz BVNCSFZFZCLRAZ-CABCVRRESA-N -1 3 391.453 0.814 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823043598 606623844 /nfs/dbraw/zinc/62/38/44/606623844.db2.gz BVNCSFZFZCLRAZ-CABCVRRESA-N -1 3 391.453 0.814 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823155869 606626293 /nfs/dbraw/zinc/62/62/93/606626293.db2.gz ZCRURDJRYMPNEK-UHFFFAOYSA-N -1 3 382.471 0.615 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C2CC2)CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823155869 606626294 /nfs/dbraw/zinc/62/62/94/606626294.db2.gz ZCRURDJRYMPNEK-UHFFFAOYSA-N -1 3 382.471 0.615 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000823092998 606626642 /nfs/dbraw/zinc/62/66/42/606626642.db2.gz RBHMRFFQVOVHBX-UHFFFAOYSA-N -1 3 390.469 0.482 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000823092998 606626643 /nfs/dbraw/zinc/62/66/43/606626643.db2.gz RBHMRFFQVOVHBX-UHFFFAOYSA-N -1 3 390.469 0.482 20 0 GCADHM CN(C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nnn[n-]2)c1 ZINC000821569593 606628660 /nfs/dbraw/zinc/62/86/60/606628660.db2.gz OYCQZTAAPPCMRU-OAHLLOKOSA-N -1 3 385.409 0.560 20 0 GCADHM CN(C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1cccc(-c2nn[n-]n2)c1 ZINC000821569593 606628662 /nfs/dbraw/zinc/62/86/62/606628662.db2.gz OYCQZTAAPPCMRU-OAHLLOKOSA-N -1 3 385.409 0.560 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000822216227 606630648 /nfs/dbraw/zinc/63/06/48/606630648.db2.gz JEHQUUNVHGBJPM-HNNXBMFYSA-N -1 3 385.409 0.844 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000822216227 606630649 /nfs/dbraw/zinc/63/06/49/606630649.db2.gz JEHQUUNVHGBJPM-HNNXBMFYSA-N -1 3 385.409 0.844 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820287354 606631383 /nfs/dbraw/zinc/63/13/83/606631383.db2.gz LBBYWOVAKYAOGT-WCQYABFASA-N -1 3 376.421 0.167 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820287354 606631384 /nfs/dbraw/zinc/63/13/84/606631384.db2.gz LBBYWOVAKYAOGT-WCQYABFASA-N -1 3 376.421 0.167 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823002406 606632187 /nfs/dbraw/zinc/63/21/87/606632187.db2.gz XQHGKAAVHPQUQC-LSDHHAIUSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823002406 606632188 /nfs/dbraw/zinc/63/21/88/606632188.db2.gz XQHGKAAVHPQUQC-LSDHHAIUSA-N -1 3 390.469 0.847 20 0 GCADHM Nc1nsc(N2CCN(C(=O)CCc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000822912238 606633034 /nfs/dbraw/zinc/63/30/34/606633034.db2.gz SDKLCXFCWBAKQI-UHFFFAOYSA-N -1 3 385.457 0.582 20 0 GCADHM Nc1nsc(N2CCN(C(=O)CCc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822912238 606633035 /nfs/dbraw/zinc/63/30/35/606633035.db2.gz SDKLCXFCWBAKQI-UHFFFAOYSA-N -1 3 385.457 0.582 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000443011295 606634178 /nfs/dbraw/zinc/63/41/78/606634178.db2.gz GBFXYJJALAXBIR-UHFFFAOYSA-N -1 3 393.816 0.493 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000443011295 606634179 /nfs/dbraw/zinc/63/41/79/606634179.db2.gz GBFXYJJALAXBIR-UHFFFAOYSA-N -1 3 393.816 0.493 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820288978 606634951 /nfs/dbraw/zinc/63/49/51/606634951.db2.gz ZMHAYUHWNZHDBX-ZJUUUORDSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820288978 606634952 /nfs/dbraw/zinc/63/49/52/606634952.db2.gz ZMHAYUHWNZHDBX-ZJUUUORDSA-N -1 3 387.849 0.992 20 0 GCADHM COC[C@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821682645 606638777 /nfs/dbraw/zinc/63/87/77/606638777.db2.gz 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Cc1nc(CN(C)[C@@H]2CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000822441058 606641122 /nfs/dbraw/zinc/64/11/22/606641122.db2.gz RJCLXGQUCDEEJK-OAHLLOKOSA-N -1 3 382.428 0.834 20 0 GCADHM CN(Cc1nnc2n1CCC2)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821617794 606646541 /nfs/dbraw/zinc/64/65/41/606646541.db2.gz BRSRHXGTEHIENW-LLVKDONJSA-N -1 3 385.457 0.703 20 0 GCADHM CN(Cc1nnc2n1CCC2)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821617794 606646542 /nfs/dbraw/zinc/64/65/42/606646542.db2.gz BRSRHXGTEHIENW-LLVKDONJSA-N -1 3 385.457 0.703 20 0 GCADHM OCCN(CCN1CCOCC1)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823723026 606656345 /nfs/dbraw/zinc/65/63/45/606656345.db2.gz YXGZEZFHQMJODB-UHFFFAOYSA-N -1 3 398.414 0.595 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CC1 ZINC000821320444 606657238 /nfs/dbraw/zinc/65/72/38/606657238.db2.gz NDOACAQVVKOZTA-UHFFFAOYSA-N -1 3 390.400 0.797 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000821320444 606657239 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ZINC000820134368 606662659 /nfs/dbraw/zinc/66/26/59/606662659.db2.gz ZQAHVEDXFVJKJY-UHFFFAOYSA-N -1 3 393.398 0.427 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000822669853 606669744 /nfs/dbraw/zinc/66/97/44/606669744.db2.gz SFDVFQGKZORZHH-UHFFFAOYSA-N -1 3 398.402 0.406 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000822669853 606669745 /nfs/dbraw/zinc/66/97/45/606669745.db2.gz SFDVFQGKZORZHH-UHFFFAOYSA-N -1 3 398.402 0.406 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000821509679 606677508 /nfs/dbraw/zinc/67/75/08/606677508.db2.gz LBZWSCUJGAYTRV-LBPRGKRZSA-N -1 3 397.447 0.662 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000821509679 606677509 /nfs/dbraw/zinc/67/75/09/606677509.db2.gz LBZWSCUJGAYTRV-LBPRGKRZSA-N -1 3 397.447 0.662 20 0 GCADHM CN(C)C(=O)CN1CCC(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821575641 606683247 /nfs/dbraw/zinc/68/32/47/606683247.db2.gz KATDCKZMDLZNOB-UHFFFAOYSA-N -1 3 393.398 0.427 20 0 GCADHM CN(C)C(=O)CN1CCC(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821575641 606683248 /nfs/dbraw/zinc/68/32/48/606683248.db2.gz KATDCKZMDLZNOB-UHFFFAOYSA-N -1 3 393.398 0.427 20 0 GCADHM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823150278 606685569 /nfs/dbraw/zinc/68/55/69/606685569.db2.gz NOSYQKQPAWGMSN-CYBMUJFWSA-N -1 3 392.366 0.655 20 0 GCADHM O=C(N[C@@H]1CCN(C2CCOCC2)C1=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823150278 606685570 /nfs/dbraw/zinc/68/55/70/606685570.db2.gz NOSYQKQPAWGMSN-CYBMUJFWSA-N -1 3 392.366 0.655 20 0 GCADHM CNC(=O)CCOC1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821632747 606686109 /nfs/dbraw/zinc/68/61/09/606686109.db2.gz HNTACIOKWYPWEZ-UHFFFAOYSA-N -1 3 394.382 0.902 20 0 GCADHM CNC(=O)CCOC1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821632747 606686110 /nfs/dbraw/zinc/68/61/10/606686110.db2.gz HNTACIOKWYPWEZ-UHFFFAOYSA-N -1 3 394.382 0.902 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821636211 606689577 /nfs/dbraw/zinc/68/95/77/606689577.db2.gz JRGGMIATBMRGQL-SECBINFHSA-N -1 3 386.384 0.299 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821636211 606689578 /nfs/dbraw/zinc/68/95/78/606689578.db2.gz JRGGMIATBMRGQL-SECBINFHSA-N -1 3 386.384 0.299 20 0 GCADHM COC(=O)[C@@]1(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC000821653434 606692051 /nfs/dbraw/zinc/69/20/51/606692051.db2.gz BFNGWTBVIXWABS-MRXNPFEDSA-N -1 3 377.426 0.548 20 0 GCADHM COC(=O)[C@@]1(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC000821653434 606692052 /nfs/dbraw/zinc/69/20/52/606692052.db2.gz BFNGWTBVIXWABS-MRXNPFEDSA-N -1 3 377.426 0.548 20 0 GCADHM Cc1csc(CS(=O)(=O)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822414630 606695828 /nfs/dbraw/zinc/69/58/28/606695828.db2.gz NUJWKFFUFGPPEF-UHFFFAOYSA-N -1 3 392.466 0.863 20 0 GCADHM Cc1csc(CS(=O)(=O)C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822414508 606695960 /nfs/dbraw/zinc/69/59/60/606695960.db2.gz IJFIWIOOPSYVMG-GFCCVEGCSA-N -1 3 395.466 0.986 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)CC(=O)Nc1ccc(Cl)cn1 ZINC000821600503 606700250 /nfs/dbraw/zinc/70/02/50/606700250.db2.gz PFZWMDMCOWFKSS-UHFFFAOYSA-N -1 3 390.839 0.724 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000821334998 606707118 /nfs/dbraw/zinc/70/71/18/606707118.db2.gz UTKUQYFSCWXMRH-UHFFFAOYSA-N -1 3 395.445 0.606 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000821334998 606707119 /nfs/dbraw/zinc/70/71/19/606707119.db2.gz UTKUQYFSCWXMRH-UHFFFAOYSA-N -1 3 395.445 0.606 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC[S@@](C)=O)CC1 ZINC000821650283 606707537 /nfs/dbraw/zinc/70/75/37/606707537.db2.gz NZGYYAIVCPFNRV-YVORESIASA-N -1 3 392.485 0.077 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC[S@@](C)=O)CC1 ZINC000821650283 606707539 /nfs/dbraw/zinc/70/75/39/606707539.db2.gz NZGYYAIVCPFNRV-YVORESIASA-N -1 3 392.485 0.077 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819854873 606719317 /nfs/dbraw/zinc/71/93/17/606719317.db2.gz CTVALJNASIMMHH-INIZCTEOSA-N -1 3 399.499 0.874 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000819857436 606730788 /nfs/dbraw/zinc/73/07/88/606730788.db2.gz RTUUOZIMUCXYQQ-CQSZACIVSA-N -1 3 396.499 0.883 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000819857436 606730790 /nfs/dbraw/zinc/73/07/90/606730790.db2.gz RTUUOZIMUCXYQQ-CQSZACIVSA-N -1 3 396.499 0.883 20 0 GCADHM NC(=O)c1ccc(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)cc1 ZINC000822886027 606735107 /nfs/dbraw/zinc/73/51/07/606735107.db2.gz YSOOZXGTJVDUGD-UHFFFAOYSA-N -1 3 399.798 0.874 20 0 GCADHM NC(=O)c1ccc(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)cc1 ZINC000822886027 606735109 /nfs/dbraw/zinc/73/51/09/606735109.db2.gz YSOOZXGTJVDUGD-UHFFFAOYSA-N -1 3 399.798 0.874 20 0 GCADHM CC(=O)N1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000819796330 606735417 /nfs/dbraw/zinc/73/54/17/606735417.db2.gz FGYYQRULXQLJFU-UHFFFAOYSA-N -1 3 377.792 0.149 20 0 GCADHM CC(=O)N1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000819796330 606735418 /nfs/dbraw/zinc/73/54/18/606735418.db2.gz FGYYQRULXQLJFU-UHFFFAOYSA-N -1 3 377.792 0.149 20 0 GCADHM CN(C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000821568263 606735874 /nfs/dbraw/zinc/73/58/74/606735874.db2.gz OEZMPSUYGLQPIG-VIFPVBQESA-N -1 3 398.832 0.104 20 0 GCADHM CN(C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000821568263 606735876 /nfs/dbraw/zinc/73/58/76/606735876.db2.gz OEZMPSUYGLQPIG-VIFPVBQESA-N -1 3 398.832 0.104 20 0 GCADHM CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821592472 606736139 /nfs/dbraw/zinc/73/61/39/606736139.db2.gz HPQBSRLVENDQRC-UHFFFAOYSA-N -1 3 393.835 0.832 20 0 GCADHM CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821592472 606736141 /nfs/dbraw/zinc/73/61/41/606736141.db2.gz HPQBSRLVENDQRC-UHFFFAOYSA-N -1 3 393.835 0.832 20 0 GCADHM O=S(=O)(NCC1(O)CCC2(CC1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000823573051 606737171 /nfs/dbraw/zinc/73/71/71/606737171.db2.gz RCDCORRRSRXOBA-UHFFFAOYSA-N -1 3 395.441 0.193 20 0 GCADHM O=S(=O)(NCC1(O)CCC2(CC1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000823573051 606737173 /nfs/dbraw/zinc/73/71/73/606737173.db2.gz RCDCORRRSRXOBA-UHFFFAOYSA-N -1 3 395.441 0.193 20 0 GCADHM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000281981853 606737210 /nfs/dbraw/zinc/73/72/10/606737210.db2.gz PZFDFWLYEGXTQA-VIFPVBQESA-N -1 3 399.864 0.602 20 0 GCADHM CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000281981853 606737211 /nfs/dbraw/zinc/73/72/11/606737211.db2.gz PZFDFWLYEGXTQA-VIFPVBQESA-N -1 3 399.864 0.602 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@@H]1CCCCNC1=O ZINC000823290651 606737238 /nfs/dbraw/zinc/73/72/38/606737238.db2.gz ZZYCEEOLCJKXAS-SNVBAGLBSA-N -1 3 377.792 0.244 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@@H]1CCCCNC1=O 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3 377.792 0.196 20 0 GCADHM CN1C[C@H](NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CCC1=O ZINC000821620879 606741552 /nfs/dbraw/zinc/74/15/52/606741552.db2.gz YTDSHDZMDMNGJF-SECBINFHSA-N -1 3 377.792 0.196 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1=O ZINC000820126955 606742564 /nfs/dbraw/zinc/74/25/64/606742564.db2.gz FZOSEANSAHKNQX-JTQLQIEISA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1=O ZINC000820126955 606742565 /nfs/dbraw/zinc/74/25/65/606742565.db2.gz FZOSEANSAHKNQX-JTQLQIEISA-N -1 3 391.819 0.584 20 0 GCADHM CSC[C@H](CCO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821955961 606743215 /nfs/dbraw/zinc/74/32/15/606743215.db2.gz CRZDYTCNSIPIIH-VIFPVBQESA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@H](CCO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821955961 606743216 /nfs/dbraw/zinc/74/32/16/606743216.db2.gz CRZDYTCNSIPIIH-VIFPVBQESA-N -1 3 384.849 0.689 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000823289084 606743228 /nfs/dbraw/zinc/74/32/28/606743228.db2.gz ATESQNJLADHPFE-UHFFFAOYSA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000823289084 606743229 /nfs/dbraw/zinc/74/32/29/606743229.db2.gz ATESQNJLADHPFE-UHFFFAOYSA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000823289453 606743926 /nfs/dbraw/zinc/74/39/26/606743926.db2.gz JFGJURYMHDBTGU-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000823289453 606743928 /nfs/dbraw/zinc/74/39/28/606743928.db2.gz JFGJURYMHDBTGU-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821286029 606744259 /nfs/dbraw/zinc/74/42/59/606744259.db2.gz NSITUESLUQKECQ-ZBFHGGJFSA-N -1 3 398.471 0.756 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821696394 606744340 /nfs/dbraw/zinc/74/43/40/606744340.db2.gz BTBGIZMFXTZKGD-CYBMUJFWSA-N -1 3 383.416 0.939 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821696394 606744342 /nfs/dbraw/zinc/74/43/42/606744342.db2.gz BTBGIZMFXTZKGD-CYBMUJFWSA-N -1 3 383.416 0.939 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H]1C ZINC000821656886 606744461 /nfs/dbraw/zinc/74/44/61/606744461.db2.gz BGRXPDVDEXUKHG-GZMMTYOYSA-N -1 3 385.833 0.950 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H]1C ZINC000821656886 606744463 /nfs/dbraw/zinc/74/44/63/606744463.db2.gz BGRXPDVDEXUKHG-GZMMTYOYSA-N -1 3 385.833 0.950 20 0 GCADHM O=S(=O)(N[C@H]1CCN(c2ncccc2F)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823572643 606745350 /nfs/dbraw/zinc/74/53/50/606745350.db2.gz JPPYGUXKIYZHMO-LBPRGKRZSA-N -1 3 389.416 0.958 20 0 GCADHM O=S(=O)(N[C@H]1CCN(c2ncccc2F)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823572643 606745352 /nfs/dbraw/zinc/74/53/52/606745352.db2.gz JPPYGUXKIYZHMO-LBPRGKRZSA-N -1 3 389.416 0.958 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(c2ncccc2F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823572709 606745362 /nfs/dbraw/zinc/74/53/62/606745362.db2.gz LDBIHBQLYWFZBP-GFCCVEGCSA-N -1 3 389.416 0.958 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(c2ncccc2F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823572709 606745364 /nfs/dbraw/zinc/74/53/64/606745364.db2.gz LDBIHBQLYWFZBP-GFCCVEGCSA-N -1 3 389.416 0.958 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000820450440 606746875 /nfs/dbraw/zinc/74/68/75/606746875.db2.gz KTBVIYDPKXSLKL-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000820450440 606746876 /nfs/dbraw/zinc/74/68/76/606746876.db2.gz KTBVIYDPKXSLKL-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821509537 606749242 /nfs/dbraw/zinc/74/92/42/606749242.db2.gz JFHPEAMRALLBIM-LBPRGKRZSA-N -1 3 381.400 0.610 20 0 GCADHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821509537 606749244 /nfs/dbraw/zinc/74/92/44/606749244.db2.gz JFHPEAMRALLBIM-LBPRGKRZSA-N -1 3 381.400 0.610 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000821510102 606749612 /nfs/dbraw/zinc/74/96/12/606749612.db2.gz WOXSPDIEULODHN-GFCCVEGCSA-N -1 3 395.427 0.919 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000821510102 606749614 /nfs/dbraw/zinc/74/96/14/606749614.db2.gz WOXSPDIEULODHN-GFCCVEGCSA-N -1 3 395.427 0.919 20 0 GCADHM CCOc1cccc(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821427020 606750941 /nfs/dbraw/zinc/75/09/41/606750941.db2.gz MGIIIRIPPYUKAX-UHFFFAOYSA-N -1 3 395.423 0.749 20 0 GCADHM CCOc1cccc(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821427020 606750943 /nfs/dbraw/zinc/75/09/43/606750943.db2.gz MGIIIRIPPYUKAX-UHFFFAOYSA-N -1 3 395.423 0.749 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000823360159 606751772 /nfs/dbraw/zinc/75/17/72/606751772.db2.gz WHWZUSACFJOAHP-CYBMUJFWSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000823360159 606751773 /nfs/dbraw/zinc/75/17/73/606751773.db2.gz WHWZUSACFJOAHP-CYBMUJFWSA-N -1 3 396.386 0.734 20 0 GCADHM CN1CCO[C@@H]2CN(C(=O)[C@H]3CCCN3c3ccc(-c4nn[n-]n4)cc3)C[C@@H]21 ZINC000821628656 606752037 /nfs/dbraw/zinc/75/20/37/606752037.db2.gz NWKSFFWGRDYXAQ-IXDOHACOSA-N -1 3 383.456 0.377 20 0 GCADHM Cc1oc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)cc1S(N)(=O)=O ZINC000822540392 606752577 /nfs/dbraw/zinc/75/25/77/606752577.db2.gz AEVUWFNSPYNPKR-UHFFFAOYSA-N -1 3 393.381 0.651 20 0 GCADHM Cc1oc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)cc1S(N)(=O)=O ZINC000822540392 606752578 /nfs/dbraw/zinc/75/25/78/606752578.db2.gz AEVUWFNSPYNPKR-UHFFFAOYSA-N -1 3 393.381 0.651 20 0 GCADHM CS(=O)(=O)C1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000821920511 606754470 /nfs/dbraw/zinc/75/44/70/606754470.db2.gz UKPPCORFBPERMG-UHFFFAOYSA-N -1 3 398.876 0.968 20 0 GCADHM CS(=O)(=O)C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000821920511 606754471 /nfs/dbraw/zinc/75/44/71/606754471.db2.gz UKPPCORFBPERMG-UHFFFAOYSA-N -1 3 398.876 0.968 20 0 GCADHM Cn1cc([C@]2(C)CN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822669112 606757588 /nfs/dbraw/zinc/75/75/88/606757588.db2.gz GFJFICCIXAJAIV-SFHVURJKSA-N -1 3 382.428 0.786 20 0 GCADHM Cn1cc([C@]2(C)CN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822669112 606757590 /nfs/dbraw/zinc/75/75/90/606757590.db2.gz GFJFICCIXAJAIV-SFHVURJKSA-N -1 3 382.428 0.786 20 0 GCADHM Cn1cc([C@@]2(C)CN(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822669882 606757611 /nfs/dbraw/zinc/75/76/11/606757611.db2.gz SZYWBKVLVXXJDL-LJQANCHMSA-N -1 3 396.455 0.464 20 0 GCADHM Cn1cc([C@@]2(C)CN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822669882 606757613 /nfs/dbraw/zinc/75/76/13/606757613.db2.gz SZYWBKVLVXXJDL-LJQANCHMSA-N -1 3 396.455 0.464 20 0 GCADHM FC(F)c1nnc2ccc(N3CCN(c4ncccc4-c4nnn[n-]4)CC3)nn21 ZINC000822737066 606757780 /nfs/dbraw/zinc/75/77/80/606757780.db2.gz PBIXKTHQHWLRFR-UHFFFAOYSA-N -1 3 399.369 0.964 20 0 GCADHM FC(F)c1nnc2ccc(N3CCN(c4ncccc4-c4nn[n-]n4)CC3)nn21 ZINC000822737066 606757781 /nfs/dbraw/zinc/75/77/81/606757781.db2.gz PBIXKTHQHWLRFR-UHFFFAOYSA-N -1 3 399.369 0.964 20 0 GCADHM C[C@@H](OC(=O)c1cc(C(N)=O)cn1C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820508778 606760008 /nfs/dbraw/zinc/76/00/08/606760008.db2.gz XOLZAGPNRQHCES-SECBINFHSA-N -1 3 383.368 0.488 20 0 GCADHM C[C@@H](OC(=O)c1cc(C(N)=O)cn1C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820508778 606760010 /nfs/dbraw/zinc/76/00/10/606760010.db2.gz XOLZAGPNRQHCES-SECBINFHSA-N -1 3 383.368 0.488 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1cc(C(N)=O)cn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648384 606760135 /nfs/dbraw/zinc/76/01/35/606760135.db2.gz IVSYBEVHCXNESQ-ZDUSSCGKSA-N -1 3 384.352 0.375 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1cc(C(N)=O)cn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648384 606760136 /nfs/dbraw/zinc/76/01/36/606760136.db2.gz IVSYBEVHCXNESQ-ZDUSSCGKSA-N -1 3 384.352 0.375 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCc1nnc(C2CCCC2)o1 ZINC000822903331 606760496 /nfs/dbraw/zinc/76/04/96/606760496.db2.gz IMPRQTDPMIWJDG-UHFFFAOYSA-N -1 3 387.404 0.862 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCc1nnc(C2CCCC2)o1 ZINC000822903331 606760497 /nfs/dbraw/zinc/76/04/97/606760497.db2.gz IMPRQTDPMIWJDG-UHFFFAOYSA-N -1 3 387.404 0.862 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000822669905 606760499 /nfs/dbraw/zinc/76/04/99/606760499.db2.gz UIXYMZLIPBXNNN-UHFFFAOYSA-N -1 3 375.370 0.161 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000822669905 606760501 /nfs/dbraw/zinc/76/05/01/606760501.db2.gz UIXYMZLIPBXNNN-UHFFFAOYSA-N -1 3 375.370 0.161 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822669736 606760560 /nfs/dbraw/zinc/76/05/60/606760560.db2.gz NILVLIFXJPFQLJ-UHFFFAOYSA-N -1 3 394.351 0.711 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822669736 606760562 /nfs/dbraw/zinc/76/05/62/606760562.db2.gz NILVLIFXJPFQLJ-UHFFFAOYSA-N -1 3 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ZINC000823505213 606771171 /nfs/dbraw/zinc/77/11/71/606771171.db2.gz ZELLKVRDNOOUIV-RDBSUJKOSA-N -1 3 390.469 0.913 20 0 GCADHM O=C1[C@H](N2CCO[C@H]([C@@H]3CCCO3)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823505213 606771172 /nfs/dbraw/zinc/77/11/72/606771172.db2.gz ZELLKVRDNOOUIV-RDBSUJKOSA-N -1 3 390.469 0.913 20 0 GCADHM CN(C)C(=O)CN1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000821575596 606773641 /nfs/dbraw/zinc/77/36/41/606773641.db2.gz IHTKVMATXHFWOJ-UHFFFAOYSA-N -1 3 392.851 0.758 20 0 GCADHM CN(C)C(=O)CN1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000821575596 606773643 /nfs/dbraw/zinc/77/36/43/606773643.db2.gz IHTKVMATXHFWOJ-UHFFFAOYSA-N -1 3 392.851 0.758 20 0 GCADHM O=C(NCCn1ncnn1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823229069 606774534 /nfs/dbraw/zinc/77/45/34/606774534.db2.gz CECYMYOGVRAQRT-UHFFFAOYSA-N -1 3 381.356 0.455 20 0 GCADHM O=C(NCCn1ncnn1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823229069 606774536 /nfs/dbraw/zinc/77/45/36/606774536.db2.gz CECYMYOGVRAQRT-UHFFFAOYSA-N -1 3 381.356 0.455 20 0 GCADHM C[C@H]1CCCN1C(=O)CCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820788785 606779758 /nfs/dbraw/zinc/77/97/58/606779758.db2.gz OGIPNCSGEPQPHP-UONOGXRCSA-N -1 3 385.476 0.568 20 0 GCADHM CCN(C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000821154961 606780219 /nfs/dbraw/zinc/78/02/19/606780219.db2.gz TZYJRRUPWVEDCW-LLVKDONJSA-N -1 3 399.860 0.935 20 0 GCADHM CCN(C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000821154961 606780220 /nfs/dbraw/zinc/78/02/20/606780220.db2.gz TZYJRRUPWVEDCW-LLVKDONJSA-N -1 3 399.860 0.935 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@H](C)Oc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000819796097 606782375 /nfs/dbraw/zinc/78/23/75/606782375.db2.gz CEBVGSZHCORMJY-JTQLQIEISA-N -1 3 378.820 0.978 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@H](C)Oc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000819796097 606782377 /nfs/dbraw/zinc/78/23/77/606782377.db2.gz CEBVGSZHCORMJY-JTQLQIEISA-N -1 3 378.820 0.978 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821919571 606795075 /nfs/dbraw/zinc/79/50/75/606795075.db2.gz CZDNUSAPQPHPSH-PSKZRQQASA-N -1 3 379.467 0.826 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821919571 606795077 /nfs/dbraw/zinc/79/50/77/606795077.db2.gz CZDNUSAPQPHPSH-PSKZRQQASA-N -1 3 379.467 0.826 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000823161003 606803367 /nfs/dbraw/zinc/80/33/67/606803367.db2.gz JKAGHQIJSDLLAA-INIZCTEOSA-N -1 3 393.407 0.671 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000823161003 606803368 /nfs/dbraw/zinc/80/33/68/606803368.db2.gz JKAGHQIJSDLLAA-INIZCTEOSA-N -1 3 393.407 0.671 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821637858 606804532 /nfs/dbraw/zinc/80/45/32/606804532.db2.gz WORFTGDMIUSUCP-UHFFFAOYSA-N -1 3 387.444 0.898 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821637858 606804535 /nfs/dbraw/zinc/80/45/35/606804535.db2.gz WORFTGDMIUSUCP-UHFFFAOYSA-N -1 3 387.444 0.898 20 0 GCADHM Cc1nc(SCC(=O)N[C@H]2CC[S@](=O)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000822452986 606808406 /nfs/dbraw/zinc/80/84/06/606808406.db2.gz DDYCQMSMVAHMFQ-FTJNGKRUSA-N -1 3 380.499 0.916 20 0 GCADHM Cc1nc(SCC(=O)N[C@H]2CC[S@](=O)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000822452986 606808408 /nfs/dbraw/zinc/80/84/08/606808408.db2.gz DDYCQMSMVAHMFQ-FTJNGKRUSA-N -1 3 380.499 0.916 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@@]1(CCO)CCOC1 ZINC000823210756 606811803 /nfs/dbraw/zinc/81/18/03/606811803.db2.gz DAWMYUPBNAQTEA-QGZVFWFLSA-N -1 3 376.417 0.334 20 0 GCADHM O=C(N[C@@H]1CC[S@](=O)C1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000823154698 606812070 /nfs/dbraw/zinc/81/20/70/606812070.db2.gz HOGFAEOKHQPBJE-MUDIAHQHSA-N -1 3 393.448 0.358 20 0 GCADHM O=C(N[C@@H]1CC[S@](=O)C1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823155238 606812114 /nfs/dbraw/zinc/81/21/14/606812114.db2.gz PQOAQWNCYHWCLL-QWVSSGJLSA-N -1 3 390.469 0.941 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000821700166 606812406 /nfs/dbraw/zinc/81/24/06/606812406.db2.gz FVQQQSSKTBJUAW-CZUORRHYSA-N -1 3 389.412 0.661 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000821700166 606812408 /nfs/dbraw/zinc/81/24/08/606812408.db2.gz FVQQQSSKTBJUAW-CZUORRHYSA-N -1 3 389.412 0.661 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](C)CCS(C)(=O)=O ZINC000821700140 606814106 /nfs/dbraw/zinc/81/41/06/606814106.db2.gz FBOXXJLPGFDUKC-SNVBAGLBSA-N -1 3 383.430 0.194 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C)CCS(C)(=O)=O ZINC000821700140 606814108 /nfs/dbraw/zinc/81/41/08/606814108.db2.gz FBOXXJLPGFDUKC-SNVBAGLBSA-N -1 3 383.430 0.194 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000821700139 606814143 /nfs/dbraw/zinc/81/41/43/606814143.db2.gz FBOXXJLPGFDUKC-JTQLQIEISA-N -1 3 383.430 0.194 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000821700139 606814145 /nfs/dbraw/zinc/81/41/45/606814145.db2.gz FBOXXJLPGFDUKC-JTQLQIEISA-N -1 3 383.430 0.194 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000823253002 606814639 /nfs/dbraw/zinc/81/46/39/606814639.db2.gz DRYMEZHEHMYTII-HNNXBMFYSA-N -1 3 396.411 0.497 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000823253002 606814640 /nfs/dbraw/zinc/81/46/40/606814640.db2.gz DRYMEZHEHMYTII-HNNXBMFYSA-N -1 3 396.411 0.497 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000823201254 606814766 /nfs/dbraw/zinc/81/47/66/606814766.db2.gz FLZJXRFLNLYYPO-UHFFFAOYSA-N -1 3 396.415 0.035 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1cnn(CC2CC2)c1 ZINC000823201254 606814768 /nfs/dbraw/zinc/81/47/68/606814768.db2.gz FLZJXRFLNLYYPO-UHFFFAOYSA-N -1 3 396.415 0.035 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](CCO)C1 ZINC000820152492 606815659 /nfs/dbraw/zinc/81/56/59/606815659.db2.gz ZWRSTYHREBHNMU-LBPRGKRZSA-N -1 3 388.428 0.823 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](CCO)C1 ZINC000820152492 606815661 /nfs/dbraw/zinc/81/56/61/606815661.db2.gz ZWRSTYHREBHNMU-LBPRGKRZSA-N -1 3 388.428 0.823 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CSCCS1 ZINC000821755313 606815927 /nfs/dbraw/zinc/81/59/27/606815927.db2.gz DQURGSONIQZGHN-JTQLQIEISA-N -1 3 394.482 0.779 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CSCCS1 ZINC000821755313 606815929 /nfs/dbraw/zinc/81/59/29/606815929.db2.gz DQURGSONIQZGHN-JTQLQIEISA-N -1 3 394.482 0.779 20 0 GCADHM O=C(NC[C@H]1CSCCS1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823183567 606816361 /nfs/dbraw/zinc/81/63/61/606816361.db2.gz ZQBZROCHTUPWKQ-VIFPVBQESA-N -1 3 382.446 0.909 20 0 GCADHM O=C(NC[C@H]1CSCCS1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823183567 606816363 /nfs/dbraw/zinc/81/63/63/606816363.db2.gz ZQBZROCHTUPWKQ-VIFPVBQESA-N -1 3 382.446 0.909 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)N1C[C@H]2CCC[C@H]21 ZINC000823383791 606816743 /nfs/dbraw/zinc/81/67/43/606816743.db2.gz ZXKPAPWQFJTKLG-ZIAGYGMSSA-N -1 3 393.411 0.456 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)N1C[C@H]2CCC[C@H]21 ZINC000823383791 606816745 /nfs/dbraw/zinc/81/67/45/606816745.db2.gz ZXKPAPWQFJTKLG-ZIAGYGMSSA-N -1 3 393.411 0.456 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820837894 606817061 /nfs/dbraw/zinc/81/70/61/606817061.db2.gz NTZCGGDASIJHRY-JTQLQIEISA-N -1 3 391.819 0.586 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820837894 606817062 /nfs/dbraw/zinc/81/70/62/606817062.db2.gz NTZCGGDASIJHRY-JTQLQIEISA-N -1 3 391.819 0.586 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000820836602 606817434 /nfs/dbraw/zinc/81/74/34/606817434.db2.gz CGWYPDFKGCDVLR-SNVBAGLBSA-N -1 3 391.819 0.586 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000820836602 606817436 /nfs/dbraw/zinc/81/74/36/606817436.db2.gz CGWYPDFKGCDVLR-SNVBAGLBSA-N -1 3 391.819 0.586 20 0 GCADHM COCCN(Cc1cccnc1)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821690310 606819348 /nfs/dbraw/zinc/81/93/48/606819348.db2.gz FJSIDNASSFTXCU-UHFFFAOYSA-N -1 3 395.423 0.667 20 0 GCADHM COCCN(Cc1cccnc1)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821690310 606819349 /nfs/dbraw/zinc/81/93/49/606819349.db2.gz FJSIDNASSFTXCU-UHFFFAOYSA-N -1 3 395.423 0.667 20 0 GCADHM O=C(NC[C@]1(CCO)CCOC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823166415 606819644 /nfs/dbraw/zinc/81/96/44/606819644.db2.gz KWIKVJSFNKSULD-LPHOPBHVSA-N -1 3 386.456 0.741 20 0 GCADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000821699676 606823784 /nfs/dbraw/zinc/82/37/84/606823784.db2.gz YXTXSQOXKKRKNR-QMMMGPOBSA-N -1 3 382.808 0.500 20 0 GCADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000821699676 606823786 /nfs/dbraw/zinc/82/37/86/606823786.db2.gz YXTXSQOXKKRKNR-QMMMGPOBSA-N -1 3 382.808 0.500 20 0 GCADHM COCCOc1cccc(CNC(=O)Cn2nc(C)c(-c3nnn[n-]3)c2N)c1 ZINC000821693900 606826879 /nfs/dbraw/zinc/82/68/79/606826879.db2.gz SRAKQQDKGQSLAN-UHFFFAOYSA-N -1 3 386.416 0.295 20 0 GCADHM COCCOc1cccc(CNC(=O)Cn2nc(C)c(-c3nn[n-]n3)c2N)c1 ZINC000821693900 606826880 /nfs/dbraw/zinc/82/68/80/606826880.db2.gz SRAKQQDKGQSLAN-UHFFFAOYSA-N -1 3 386.416 0.295 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821931998 606830103 /nfs/dbraw/zinc/83/01/03/606830103.db2.gz ILHOFYZSKVOHOH-GXTWGEPZSA-N -1 3 393.473 0.113 20 0 GCADHM C[C@H](O)c1cn(CC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)nn1 ZINC000820481228 606832478 /nfs/dbraw/zinc/83/24/78/606832478.db2.gz UCCGPGBXYYHGLT-ZDUSSCGKSA-N -1 3 397.443 0.250 20 0 GCADHM C[C@H](O)c1cn(CC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)nn1 ZINC000820481228 606832480 /nfs/dbraw/zinc/83/24/80/606832480.db2.gz UCCGPGBXYYHGLT-ZDUSSCGKSA-N -1 3 397.443 0.250 20 0 GCADHM C[C@H](O)c1cn(CC(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)nn1 ZINC000820480735 606834028 /nfs/dbraw/zinc/83/40/28/606834028.db2.gz NQEDFAHEHUKHBK-LBPRGKRZSA-N -1 3 397.443 0.297 20 0 GCADHM C[C@H](O)c1cn(CC(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)nn1 ZINC000820480735 606834031 /nfs/dbraw/zinc/83/40/31/606834031.db2.gz NQEDFAHEHUKHBK-LBPRGKRZSA-N -1 3 397.443 0.297 20 0 GCADHM C[C@H](O)c1cn(CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000820481277 606834168 /nfs/dbraw/zinc/83/41/68/606834168.db2.gz UJQGHZUPBIKDKP-LBPRGKRZSA-N -1 3 398.427 0.582 20 0 GCADHM Cn1c(CCC(N)=O)nnc1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822596872 606836206 /nfs/dbraw/zinc/83/62/06/606836206.db2.gz XIWCSKRIDABKTR-UHFFFAOYSA-N -1 3 388.457 0.974 20 0 GCADHM Cn1c(CCC(N)=O)nnc1SCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822596872 606836208 /nfs/dbraw/zinc/83/62/08/606836208.db2.gz XIWCSKRIDABKTR-UHFFFAOYSA-N -1 3 388.457 0.974 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821931375 606836228 /nfs/dbraw/zinc/83/62/28/606836228.db2.gz CSCRMOCHAAMTOU-BXKDBHETSA-N -1 3 397.436 0.845 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821931375 606836230 /nfs/dbraw/zinc/83/62/30/606836230.db2.gz CSCRMOCHAAMTOU-BXKDBHETSA-N -1 3 397.436 0.845 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000822216040 606837848 /nfs/dbraw/zinc/83/78/48/606837848.db2.gz CQXJUJLWLWPGQX-GJZGRUSLSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000822216040 606837850 /nfs/dbraw/zinc/83/78/50/606837850.db2.gz CQXJUJLWLWPGQX-GJZGRUSLSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1-c1nnn[n-]1 ZINC000822312144 606837854 /nfs/dbraw/zinc/83/78/54/606837854.db2.gz BCRXUWSVAIPEQV-KGLIPLIRSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@H]([C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC000822312144 606837856 /nfs/dbraw/zinc/83/78/56/606837856.db2.gz BCRXUWSVAIPEQV-KGLIPLIRSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1-c1nnn[n-]1 ZINC000822312146 606838133 /nfs/dbraw/zinc/83/81/33/606838133.db2.gz BCRXUWSVAIPEQV-ZIAGYGMSSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c1-c1nn[n-]n1 ZINC000822312146 606838135 /nfs/dbraw/zinc/83/81/35/606838135.db2.gz BCRXUWSVAIPEQV-ZIAGYGMSSA-N -1 3 386.412 0.520 20 0 GCADHM C[C@H](NC(=O)CSCCCOc1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC000820335448 606840736 /nfs/dbraw/zinc/84/07/36/606840736.db2.gz YLDQIDXHSUMYIR-LBPRGKRZSA-N -1 3 392.485 0.962 20 0 GCADHM C[C@H](NC(=O)CSCCCOc1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC000820335448 606840737 /nfs/dbraw/zinc/84/07/37/606840737.db2.gz YLDQIDXHSUMYIR-LBPRGKRZSA-N -1 3 392.485 0.962 20 0 GCADHM C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)S(C)(=O)=O ZINC000819883299 606843524 /nfs/dbraw/zinc/84/35/24/606843524.db2.gz GULSUOARPGPLJJ-DTWKUNHWSA-N -1 3 391.450 0.448 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000823606471 606844387 /nfs/dbraw/zinc/84/43/87/606844387.db2.gz IFBUERPFTVALSR-SNVBAGLBSA-N -1 3 381.311 0.958 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCO[C@H](C(F)(F)F)C1 ZINC000823606470 606844550 /nfs/dbraw/zinc/84/45/50/606844550.db2.gz IFBUERPFTVALSR-JTQLQIEISA-N -1 3 381.311 0.958 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H]1Cn1cncn1 ZINC000823606772 606844675 /nfs/dbraw/zinc/84/46/75/606844675.db2.gz MCJHUYNCLBLYIW-LLVKDONJSA-N -1 3 378.393 0.451 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821692264 606845588 /nfs/dbraw/zinc/84/55/88/606845588.db2.gz SLMKNNPGSSNSTP-LLVKDONJSA-N -1 3 385.421 0.679 20 0 GCADHM Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674107 606845620 /nfs/dbraw/zinc/84/56/20/606845620.db2.gz LLKPOQDSUAXUMG-CYBMUJFWSA-N -1 3 393.404 0.502 20 0 GCADHM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674108 606845834 /nfs/dbraw/zinc/84/58/34/606845834.db2.gz LLKPOQDSUAXUMG-ZDUSSCGKSA-N -1 3 393.404 0.502 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823600314 606845939 /nfs/dbraw/zinc/84/59/39/606845939.db2.gz GDVQXUVPCLVADX-CYBMUJFWSA-N -1 3 397.432 0.964 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820733352 606848163 /nfs/dbraw/zinc/84/81/63/606848163.db2.gz FPCKOPXZYVHTIO-IAQYHMDHSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820733352 606848165 /nfs/dbraw/zinc/84/81/65/606848165.db2.gz FPCKOPXZYVHTIO-IAQYHMDHSA-N -1 3 390.469 0.792 20 0 GCADHM CNC(=O)c1nn(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(=O)c2ccccc21 ZINC000821636657 606850802 /nfs/dbraw/zinc/85/08/02/606850802.db2.gz XXTQDBHOKKLXRF-HNNXBMFYSA-N -1 3 391.391 0.670 20 0 GCADHM CNC(=O)c1nn(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(=O)c2ccccc21 ZINC000821636657 606850804 /nfs/dbraw/zinc/85/08/04/606850804.db2.gz XXTQDBHOKKLXRF-HNNXBMFYSA-N -1 3 391.391 0.670 20 0 GCADHM NC(=O)c1nn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(=O)c2ccccc21 ZINC000822890041 606851105 /nfs/dbraw/zinc/85/11/05/606851105.db2.gz KZOHKRBDTIZFHP-CQSZACIVSA-N -1 3 377.364 0.409 20 0 GCADHM NC(=O)c1nn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(=O)c2ccccc21 ZINC000822890041 606851108 /nfs/dbraw/zinc/85/11/08/606851108.db2.gz KZOHKRBDTIZFHP-CQSZACIVSA-N -1 3 377.364 0.409 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC(OCCCO)CC1 ZINC000821700124 606856944 /nfs/dbraw/zinc/85/69/44/606856944.db2.gz DOHDRZBBKPRTNH-UHFFFAOYSA-N -1 3 391.428 0.644 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC(OCCCO)CC1 ZINC000821700124 606856945 /nfs/dbraw/zinc/85/69/45/606856945.db2.gz DOHDRZBBKPRTNH-UHFFFAOYSA-N -1 3 391.428 0.644 20 0 GCADHM Cc1noc([C@H](C)N2CCN(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822519778 606861381 /nfs/dbraw/zinc/86/13/81/606861381.db2.gz LRHLFQUYAOIAAF-BLLLJJGKSA-N -1 3 384.444 0.970 20 0 GCADHM O=C(CNc1ccc2c(c1)S(=O)(=O)CC2)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823014562 606867004 /nfs/dbraw/zinc/86/70/04/606867004.db2.gz PVGACTSHASZLSJ-UHFFFAOYSA-N -1 3 398.448 0.925 20 0 GCADHM O=C(CNc1ccc2c(c1)S(=O)(=O)CC2)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823014562 606867005 /nfs/dbraw/zinc/86/70/05/606867005.db2.gz PVGACTSHASZLSJ-UHFFFAOYSA-N -1 3 398.448 0.925 20 0 GCADHM NC(=O)C[C@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CCOCC1 ZINC000822864807 606868455 /nfs/dbraw/zinc/86/84/55/606868455.db2.gz LYXPTAVNNVFKBI-LBPRGKRZSA-N -1 3 380.355 0.545 20 0 GCADHM NC(=O)C[C@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCOCC1 ZINC000822864807 606868457 /nfs/dbraw/zinc/86/84/57/606868457.db2.gz LYXPTAVNNVFKBI-LBPRGKRZSA-N -1 3 380.355 0.545 20 0 GCADHM NC(=O)C[C@@H](NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C1CCOCC1 ZINC000822864806 606868921 /nfs/dbraw/zinc/86/89/21/606868921.db2.gz LYXPTAVNNVFKBI-GFCCVEGCSA-N -1 3 380.355 0.545 20 0 GCADHM NC(=O)C[C@@H](NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CCOCC1 ZINC000822864806 606868922 /nfs/dbraw/zinc/86/89/22/606868922.db2.gz LYXPTAVNNVFKBI-GFCCVEGCSA-N -1 3 380.355 0.545 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000823613419 606872869 /nfs/dbraw/zinc/87/28/69/606872869.db2.gz INYLVNNKMBZRII-UHFFFAOYSA-N -1 3 392.418 0.964 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000823613419 606872871 /nfs/dbraw/zinc/87/28/71/606872871.db2.gz INYLVNNKMBZRII-UHFFFAOYSA-N -1 3 392.418 0.964 20 0 GCADHM COC(=O)c1ccncc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821671300 606873584 /nfs/dbraw/zinc/87/35/84/606873584.db2.gz QGSKIEUBLKJABI-UHFFFAOYSA-N -1 3 379.329 0.955 20 0 GCADHM COC(=O)c1ccncc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821671300 606873585 /nfs/dbraw/zinc/87/35/85/606873585.db2.gz QGSKIEUBLKJABI-UHFFFAOYSA-N -1 3 379.329 0.955 20 0 GCADHM C[C@@H]1C[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CN1Cc1ccccc1 ZINC000820668810 606876604 /nfs/dbraw/zinc/87/66/04/606876604.db2.gz WVINWYOUPOWKPZ-OCCSQVGLSA-N -1 3 396.455 0.339 20 0 GCADHM COC(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821670301 606881459 /nfs/dbraw/zinc/88/14/59/606881459.db2.gz WXEOUIUOSMTZHN-UHFFFAOYSA-N -1 3 380.364 0.908 20 0 GCADHM COC(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821670301 606881461 /nfs/dbraw/zinc/88/14/61/606881461.db2.gz WXEOUIUOSMTZHN-UHFFFAOYSA-N -1 3 380.364 0.908 20 0 GCADHM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821631188 606886973 /nfs/dbraw/zinc/88/69/73/606886973.db2.gz ARYJXHFPIMEVHM-NSHDSACASA-N -1 3 386.384 0.434 20 0 GCADHM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821631188 606886975 /nfs/dbraw/zinc/88/69/75/606886975.db2.gz ARYJXHFPIMEVHM-NSHDSACASA-N -1 3 386.384 0.434 20 0 GCADHM CCOC(=O)CCN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821330739 606888281 /nfs/dbraw/zinc/88/82/81/606888281.db2.gz PSCVEYFTTPUPSL-UHFFFAOYSA-N -1 3 375.357 0.719 20 0 GCADHM CCOC(=O)CCN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821330739 606888282 /nfs/dbraw/zinc/88/82/82/606888282.db2.gz PSCVEYFTTPUPSL-UHFFFAOYSA-N -1 3 375.357 0.719 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1Cn1cncn1 ZINC000823594224 606891067 /nfs/dbraw/zinc/89/10/67/606891067.db2.gz DVXGHVHJFHPJSH-JTQLQIEISA-N -1 3 396.383 0.590 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1Cn1cncn1 ZINC000823594224 606891068 /nfs/dbraw/zinc/89/10/68/606891068.db2.gz DVXGHVHJFHPJSH-JTQLQIEISA-N -1 3 396.383 0.590 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820642071 606891719 /nfs/dbraw/zinc/89/17/19/606891719.db2.gz GOWXYGGXXQSRRL-KRQKSXDCSA-N -1 3 391.425 0.675 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820642071 606891721 /nfs/dbraw/zinc/89/17/21/606891721.db2.gz GOWXYGGXXQSRRL-KRQKSXDCSA-N -1 3 391.425 0.675 20 0 GCADHM COC[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000821684861 606892388 /nfs/dbraw/zinc/89/23/88/606892388.db2.gz MQWIBGVAOPUIET-VIFPVBQESA-N -1 3 375.357 0.181 20 0 GCADHM COC[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000821684861 606892389 /nfs/dbraw/zinc/89/23/89/606892389.db2.gz MQWIBGVAOPUIET-VIFPVBQESA-N -1 3 375.357 0.181 20 0 GCADHM COCCCN(C)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821687337 606894364 /nfs/dbraw/zinc/89/43/64/606894364.db2.gz ZLIXUAKOUIVTPR-UHFFFAOYSA-N -1 3 390.416 0.392 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000822153019 606898151 /nfs/dbraw/zinc/89/81/51/606898151.db2.gz KFXKFBFYLSSVDV-STQMWFEESA-N -1 3 378.458 0.888 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000822153019 606898153 /nfs/dbraw/zinc/89/81/53/606898153.db2.gz KFXKFBFYLSSVDV-STQMWFEESA-N -1 3 378.458 0.888 20 0 GCADHM CCc1n[nH]c(=O)c(C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1CC ZINC000821504741 606902522 /nfs/dbraw/zinc/90/25/22/606902522.db2.gz JPVWDZUTCRWBJL-UHFFFAOYSA-N -1 3 383.416 0.724 20 0 GCADHM CCc1n[nH]c(=O)c(C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1CC ZINC000821504741 606902523 /nfs/dbraw/zinc/90/25/23/606902523.db2.gz JPVWDZUTCRWBJL-UHFFFAOYSA-N -1 3 383.416 0.724 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc2nnnn2c1 ZINC000821690222 606902880 /nfs/dbraw/zinc/90/28/80/606902880.db2.gz ALTAQTGWQBZVOW-UHFFFAOYSA-N -1 3 379.384 0.593 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2nnnn2c1 ZINC000821690222 606902882 /nfs/dbraw/zinc/90/28/82/606902882.db2.gz ALTAQTGWQBZVOW-UHFFFAOYSA-N -1 3 379.384 0.593 20 0 GCADHM Cc1cc(NCCC(=O)NC(N)=O)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209768 606910478 /nfs/dbraw/zinc/91/04/78/606910478.db2.gz WBKHGFJWEIHBMN-UHFFFAOYSA-N -1 3 379.384 0.973 20 0 GCADHM Cc1cc(NCCC(=O)NC(N)=O)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209768 606910480 /nfs/dbraw/zinc/91/04/80/606910480.db2.gz WBKHGFJWEIHBMN-UHFFFAOYSA-N -1 3 379.384 0.973 20 0 GCADHM CCc1nnc(N2CCN(S(=O)(=O)CC)CC2)c(-c2nnn[n-]2)c1CC ZINC000821526899 606911133 /nfs/dbraw/zinc/91/11/33/606911133.db2.gz ANMXXJYTYYXSKL-UHFFFAOYSA-N -1 3 380.478 0.253 20 0 GCADHM CCc1nnc(N2CCN(S(=O)(=O)CC)CC2)c(-c2nn[n-]n2)c1CC ZINC000821526899 606911135 /nfs/dbraw/zinc/91/11/35/606911135.db2.gz ANMXXJYTYYXSKL-UHFFFAOYSA-N -1 3 380.478 0.253 20 0 GCADHM COC(=O)C1(NCc2ccc(-c3nnn[n-]3)cc2F)CCS(=O)(=O)CC1 ZINC000821653885 606913974 /nfs/dbraw/zinc/91/39/74/606913974.db2.gz NUIJKDFXWJZRNW-UHFFFAOYSA-N -1 3 383.405 0.216 20 0 GCADHM COC(=O)C1(NCc2ccc(-c3nn[n-]n3)cc2F)CCS(=O)(=O)CC1 ZINC000821653885 606913975 /nfs/dbraw/zinc/91/39/75/606913975.db2.gz NUIJKDFXWJZRNW-UHFFFAOYSA-N -1 3 383.405 0.216 20 0 GCADHM COC(=O)C1(NCc2cc(-c3nnn[n-]3)ccc2F)CCS(=O)(=O)CC1 ZINC000821653617 606914136 /nfs/dbraw/zinc/91/41/36/606914136.db2.gz GDHBALVXKSKTSS-UHFFFAOYSA-N -1 3 383.405 0.216 20 0 GCADHM COC(=O)C1(NCc2cc(-c3nn[n-]n3)ccc2F)CCS(=O)(=O)CC1 ZINC000821653617 606914138 /nfs/dbraw/zinc/91/41/38/606914138.db2.gz GDHBALVXKSKTSS-UHFFFAOYSA-N -1 3 383.405 0.216 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000820704349 606914253 /nfs/dbraw/zinc/91/42/53/606914253.db2.gz NWWHCUQRAGWMEX-BLVKFPJESA-N -1 3 397.439 0.892 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000820704349 606914255 /nfs/dbraw/zinc/91/42/55/606914255.db2.gz NWWHCUQRAGWMEX-BLVKFPJESA-N -1 3 397.439 0.892 20 0 GCADHM Cn1cccc1C(=O)CN1C(=O)N[C@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822688830 606914588 /nfs/dbraw/zinc/91/45/88/606914588.db2.gz ARGFWUBWSBUSMX-GOSISDBHSA-N -1 3 379.380 0.855 20 0 GCADHM Cn1cccc1C(=O)CN1C(=O)N[C@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822688830 606914589 /nfs/dbraw/zinc/91/45/89/606914589.db2.gz ARGFWUBWSBUSMX-GOSISDBHSA-N -1 3 379.380 0.855 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822859956 606914797 /nfs/dbraw/zinc/91/47/97/606914797.db2.gz KNIZEKFMFXURPN-KGLIPLIRSA-N -1 3 385.428 0.147 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822859956 606914798 /nfs/dbraw/zinc/91/47/98/606914798.db2.gz KNIZEKFMFXURPN-KGLIPLIRSA-N -1 3 385.428 0.147 20 0 GCADHM CNC(=O)[C@@H]1CN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000821631656 606919053 /nfs/dbraw/zinc/91/90/53/606919053.db2.gz OYEJEUISARBWBM-RDJZCZTQSA-N -1 3 380.408 0.914 20 0 GCADHM CNC(=O)[C@@H]1CN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000821631656 606919054 /nfs/dbraw/zinc/91/90/54/606919054.db2.gz OYEJEUISARBWBM-RDJZCZTQSA-N -1 3 380.408 0.914 20 0 GCADHM COCCN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821688879 606919090 /nfs/dbraw/zinc/91/90/90/606919090.db2.gz AFMOKKSDXNWPMT-LSDHHAIUSA-N -1 3 381.458 0.036 20 0 GCADHM COCCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821688879 606919092 /nfs/dbraw/zinc/91/90/92/606919092.db2.gz AFMOKKSDXNWPMT-LSDHHAIUSA-N -1 3 381.458 0.036 20 0 GCADHM CNC(=O)[C@H]1CN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c2ccccc2O1 ZINC000821631655 606919248 /nfs/dbraw/zinc/91/92/48/606919248.db2.gz OYEJEUISARBWBM-NVXWUHKLSA-N -1 3 380.408 0.914 20 0 GCADHM CNC(=O)[C@H]1CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000821631655 606919249 /nfs/dbraw/zinc/91/92/49/606919249.db2.gz OYEJEUISARBWBM-NVXWUHKLSA-N -1 3 380.408 0.914 20 0 GCADHM CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000821523522 606923585 /nfs/dbraw/zinc/92/35/85/606923585.db2.gz XMVNKEVGLDELMV-UHFFFAOYSA-N -1 3 394.505 0.642 20 0 GCADHM CCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000821523522 606923587 /nfs/dbraw/zinc/92/35/87/606923587.db2.gz XMVNKEVGLDELMV-UHFFFAOYSA-N -1 3 394.505 0.642 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735633149 606930622 /nfs/dbraw/zinc/93/06/22/606930622.db2.gz NINMSCKLZRVATM-KGLIPLIRSA-N -1 3 387.444 0.992 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735633149 606930624 /nfs/dbraw/zinc/93/06/24/606930624.db2.gz NINMSCKLZRVATM-KGLIPLIRSA-N -1 3 387.444 0.992 20 0 GCADHM CCOC[C@H](O)CN1CCN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)CC1 ZINC000821367014 606932085 /nfs/dbraw/zinc/93/20/85/606932085.db2.gz AGANGNWYYFFENZ-CYBMUJFWSA-N -1 3 390.492 0.301 20 0 GCADHM CC(=O)N1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)[C@@H](C)C1 ZINC000819797242 606933074 /nfs/dbraw/zinc/93/30/74/606933074.db2.gz WVBBPHQPHHOZBE-NSHDSACASA-N -1 3 395.427 0.327 20 0 GCADHM CC(=O)N1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)[C@@H](C)C1 ZINC000819797242 606933076 /nfs/dbraw/zinc/93/30/76/606933076.db2.gz WVBBPHQPHHOZBE-NSHDSACASA-N -1 3 395.427 0.327 20 0 GCADHM COC(=O)Cc1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821663538 606938522 /nfs/dbraw/zinc/93/85/22/606938522.db2.gz BKOMQXSXSISBRW-UHFFFAOYSA-N -1 3 394.391 0.951 20 0 GCADHM COC(=O)Cc1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821663538 606938523 /nfs/dbraw/zinc/93/85/23/606938523.db2.gz BKOMQXSXSISBRW-UHFFFAOYSA-N -1 3 394.391 0.951 20 0 GCADHM CCc1nnc(N2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821522612 606941745 /nfs/dbraw/zinc/94/17/45/606941745.db2.gz MPFSKJXPHSLNTG-XTZNXHDOSA-N -1 3 399.459 0.596 20 0 GCADHM CCc1nnc(N2CCC[C@H]([C@@]3(C)NC(=O)NC3=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821522612 606941747 /nfs/dbraw/zinc/94/17/47/606941747.db2.gz MPFSKJXPHSLNTG-XTZNXHDOSA-N -1 3 399.459 0.596 20 0 GCADHM CCc1nnc(NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(-c2nnn[n-]2)c1CC ZINC000821536523 606942288 /nfs/dbraw/zinc/94/22/88/606942288.db2.gz VJDIFGXJWCZDOP-XTZNXHDOSA-N -1 3 399.459 0.914 20 0 GCADHM CCc1nnc(NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(-c2nn[n-]n2)c1CC ZINC000821536523 606942289 /nfs/dbraw/zinc/94/22/89/606942289.db2.gz VJDIFGXJWCZDOP-XTZNXHDOSA-N -1 3 399.459 0.914 20 0 GCADHM CC(C)S(=O)(=O)CCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000820183753 606942578 /nfs/dbraw/zinc/94/25/78/606942578.db2.gz KYHLFWWJWHBZLO-UHFFFAOYSA-N -1 3 376.435 0.993 20 0 GCADHM CC(C)S(=O)(=O)CCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000820183753 606942579 /nfs/dbraw/zinc/94/25/79/606942579.db2.gz KYHLFWWJWHBZLO-UHFFFAOYSA-N -1 3 376.435 0.993 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H]2CCCC[C@H]2N1 ZINC000823535640 606944043 /nfs/dbraw/zinc/94/40/43/606944043.db2.gz CPAAQEUPERRKPK-NEPJUHHUSA-N -1 3 398.395 0.577 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H]2CCCC[C@H]2N1 ZINC000823535640 606944045 /nfs/dbraw/zinc/94/40/45/606944045.db2.gz CPAAQEUPERRKPK-NEPJUHHUSA-N -1 3 398.395 0.577 20 0 GCADHM CCc1nnc(NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c(-c2nnn[n-]2)c1CC ZINC000821535424 606944300 /nfs/dbraw/zinc/94/43/00/606944300.db2.gz IVEPYWMXEIYYAP-GWCFXTLKSA-N -1 3 394.505 0.911 20 0 GCADHM CCc1nnc(NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c(-c2nn[n-]n2)c1CC ZINC000821535424 606944302 /nfs/dbraw/zinc/94/43/02/606944302.db2.gz IVEPYWMXEIYYAP-GWCFXTLKSA-N -1 3 394.505 0.911 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000821694689 606944477 /nfs/dbraw/zinc/94/44/77/606944477.db2.gz YBQXSGNQIJHDRN-UHFFFAOYSA-N -1 3 397.392 0.398 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c(-c2nnn[n-]2)c1CC ZINC000821535430 606944685 /nfs/dbraw/zinc/94/46/85/606944685.db2.gz IVEPYWMXEIYYAP-MFKMUULPSA-N -1 3 394.505 0.911 20 0 GCADHM CCc1nnc(NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c(-c2nn[n-]n2)c1CC ZINC000821535430 606944686 /nfs/dbraw/zinc/94/46/86/606944686.db2.gz IVEPYWMXEIYYAP-MFKMUULPSA-N -1 3 394.505 0.911 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822210418 606951533 /nfs/dbraw/zinc/95/15/33/606951533.db2.gz AMZBVQGLXTVKFO-NSHDSACASA-N -1 3 398.379 0.785 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822210418 606951535 /nfs/dbraw/zinc/95/15/35/606951535.db2.gz AMZBVQGLXTVKFO-NSHDSACASA-N -1 3 398.379 0.785 20 0 GCADHM Nc1nsc(N2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822911900 606955541 /nfs/dbraw/zinc/95/55/41/606955541.db2.gz CVSJKWSQOJOCOZ-UHFFFAOYSA-N -1 3 387.429 0.028 20 0 GCADHM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821165111 606959943 /nfs/dbraw/zinc/95/99/43/606959943.db2.gz PHZRBFXYDVRPRQ-LBPRGKRZSA-N -1 3 396.448 0.131 20 0 GCADHM CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821165111 606959944 /nfs/dbraw/zinc/95/99/44/606959944.db2.gz PHZRBFXYDVRPRQ-LBPRGKRZSA-N -1 3 396.448 0.131 20 0 GCADHM CC(C)S(=O)(=O)CCCN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000820178611 606960913 /nfs/dbraw/zinc/96/09/13/606960913.db2.gz VUUGVBLGZHRLGH-UHFFFAOYSA-N -1 3 379.490 0.597 20 0 GCADHM CC(C)S(=O)(=O)CCCN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000820178611 606960915 /nfs/dbraw/zinc/96/09/15/606960915.db2.gz VUUGVBLGZHRLGH-UHFFFAOYSA-N -1 3 379.490 0.597 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000823358585 606965605 /nfs/dbraw/zinc/96/56/05/606965605.db2.gz BGKLKTQFLKLWEK-AWEZNQCLSA-N -1 3 379.380 0.880 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000823358585 606965606 /nfs/dbraw/zinc/96/56/06/606965606.db2.gz BGKLKTQFLKLWEK-AWEZNQCLSA-N -1 3 379.380 0.880 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CCCCS(C)(=O)=O)C1=O ZINC000820636383 606979750 /nfs/dbraw/zinc/97/97/50/606979750.db2.gz SEXDGXYETGARRF-INIZCTEOSA-N -1 3 392.441 0.459 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CCCCS(C)(=O)=O)C1=O ZINC000820636383 606979752 /nfs/dbraw/zinc/97/97/52/606979752.db2.gz SEXDGXYETGARRF-INIZCTEOSA-N -1 3 392.441 0.459 20 0 GCADHM O=C(CCN1CC(=O)N[C@@H]2CCCC[C@H]21)Nc1sccc1-c1nnn[n-]1 ZINC000822963874 606984404 /nfs/dbraw/zinc/98/44/04/606984404.db2.gz ACJOYOXELZPSOG-VXGBXAGGSA-N -1 3 375.458 1.000 20 0 GCADHM O=C(CCN1CC(=O)N[C@@H]2CCCC[C@H]21)Nc1sccc1-c1nn[n-]n1 ZINC000822963874 606984405 /nfs/dbraw/zinc/98/44/05/606984405.db2.gz ACJOYOXELZPSOG-VXGBXAGGSA-N -1 3 375.458 1.000 20 0 GCADHM O=C(CCN1CC(=O)N[C@H]2CCCC[C@@H]21)Nc1sccc1-c1nnn[n-]1 ZINC000822963872 606984631 /nfs/dbraw/zinc/98/46/31/606984631.db2.gz ACJOYOXELZPSOG-RYUDHWBXSA-N -1 3 375.458 1.000 20 0 GCADHM O=C(CCN1CC(=O)N[C@H]2CCCC[C@@H]21)Nc1sccc1-c1nn[n-]n1 ZINC000822963872 606984633 /nfs/dbraw/zinc/98/46/33/606984633.db2.gz ACJOYOXELZPSOG-RYUDHWBXSA-N -1 3 375.458 1.000 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1nccs1 ZINC000820447515 606985187 /nfs/dbraw/zinc/98/51/87/606985187.db2.gz ZMUDZHVUFWEDGH-MRVPVSSYSA-N -1 3 379.427 0.629 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1nccs1 ZINC000820447515 606985188 /nfs/dbraw/zinc/98/51/88/606985188.db2.gz ZMUDZHVUFWEDGH-MRVPVSSYSA-N -1 3 379.427 0.629 20 0 GCADHM CN(C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821569890 606985366 /nfs/dbraw/zinc/98/53/66/606985366.db2.gz ZJTUXQQWJPJNAU-GFCCVEGCSA-N -1 3 379.442 0.670 20 0 GCADHM CN(C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821569890 606985367 /nfs/dbraw/zinc/98/53/67/606985367.db2.gz ZJTUXQQWJPJNAU-GFCCVEGCSA-N -1 3 379.442 0.670 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000821699446 606985847 /nfs/dbraw/zinc/98/58/47/606985847.db2.gz PZUGQRJIFJHABB-SNVBAGLBSA-N -1 3 396.425 0.763 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 ZINC000821699446 606985849 /nfs/dbraw/zinc/98/58/49/606985849.db2.gz PZUGQRJIFJHABB-SNVBAGLBSA-N -1 3 396.425 0.763 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822206856 606985946 /nfs/dbraw/zinc/98/59/46/606985946.db2.gz BGUZEDGQSDFPHI-SECBINFHSA-N -1 3 377.386 0.469 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822206856 606985947 /nfs/dbraw/zinc/98/59/47/606985947.db2.gz BGUZEDGQSDFPHI-SECBINFHSA-N -1 3 377.386 0.469 20 0 GCADHM COCCc1noc(CN(C)C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)n1 ZINC000821694434 606987559 /nfs/dbraw/zinc/98/75/59/606987559.db2.gz MZYCOGPWDFGAQD-NSHDSACASA-N -1 3 387.400 0.865 20 0 GCADHM COCCc1noc(CN(C)C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)n1 ZINC000821694434 606987561 /nfs/dbraw/zinc/98/75/61/606987561.db2.gz MZYCOGPWDFGAQD-NSHDSACASA-N -1 3 387.400 0.865 20 0 GCADHM COC(=O)C[C@@H](C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821657565 606988534 /nfs/dbraw/zinc/98/85/34/606988534.db2.gz QDVHVMPPOHLFNF-LLVKDONJSA-N -1 3 388.428 0.966 20 0 GCADHM COC(=O)C[C@@H](C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821657565 606988535 /nfs/dbraw/zinc/98/85/35/606988535.db2.gz QDVHVMPPOHLFNF-LLVKDONJSA-N -1 3 388.428 0.966 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C1CCCC1 ZINC000820438578 606988886 /nfs/dbraw/zinc/98/88/86/606988886.db2.gz SIYVCWIKDVOJDH-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C1CCCC1 ZINC000820438578 606988887 /nfs/dbraw/zinc/98/88/87/606988887.db2.gz SIYVCWIKDVOJDH-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000819996810 606990071 /nfs/dbraw/zinc/99/00/71/606990071.db2.gz JTTSULGMTDHGCJ-NSHDSACASA-N -1 3 379.442 0.575 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000819996810 606990072 /nfs/dbraw/zinc/99/00/72/606990072.db2.gz JTTSULGMTDHGCJ-NSHDSACASA-N -1 3 379.442 0.575 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC[C@H]1CCCO1 ZINC000820449740 606990179 /nfs/dbraw/zinc/99/01/79/606990179.db2.gz BMUGATFMUVACAE-DGCLKSJQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[C@H]1CCCO1 ZINC000820449740 606990181 /nfs/dbraw/zinc/99/01/81/606990181.db2.gz BMUGATFMUVACAE-DGCLKSJQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C1CCOCC1 ZINC000819857505 606991689 /nfs/dbraw/zinc/99/16/89/606991689.db2.gz SBBVUSHMPVRPEJ-LBPRGKRZSA-N -1 3 393.469 0.807 20 0 GCADHM CCN(CCOC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821214860 606994258 /nfs/dbraw/zinc/99/42/58/606994258.db2.gz NCSOUDKGXXOZTE-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM CCN(CCOC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821214860 606994259 /nfs/dbraw/zinc/99/42/59/606994259.db2.gz NCSOUDKGXXOZTE-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC000820444006 606995204 /nfs/dbraw/zinc/99/52/04/606995204.db2.gz DCTXQQUCDOQOBO-UHIISALHSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC000820444006 606995206 /nfs/dbraw/zinc/99/52/06/606995206.db2.gz DCTXQQUCDOQOBO-UHIISALHSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H](C)C1CC1 ZINC000820445477 606995289 /nfs/dbraw/zinc/99/52/89/606995289.db2.gz QLHIOZGFQWCHJK-MNOVXSKESA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H](C)C1CC1 ZINC000820445477 606995290 /nfs/dbraw/zinc/99/52/90/606995290.db2.gz QLHIOZGFQWCHJK-MNOVXSKESA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000820437785 606995389 /nfs/dbraw/zinc/99/53/89/606995389.db2.gz CJBSJYUSLAQJBL-MJVIPROJSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000820437785 606995390 /nfs/dbraw/zinc/99/53/90/606995390.db2.gz CJBSJYUSLAQJBL-MJVIPROJSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(F)cn1 ZINC000820447270 606998096 /nfs/dbraw/zinc/99/80/96/606998096.db2.gz YSSUZZLIOAAKTK-VIFPVBQESA-N -1 3 391.388 0.706 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(F)cn1 ZINC000820447270 606998097 /nfs/dbraw/zinc/99/80/97/606998097.db2.gz YSSUZZLIOAAKTK-VIFPVBQESA-N -1 3 391.388 0.706 20 0 GCADHM COCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821686885 606998765 /nfs/dbraw/zinc/99/87/65/606998765.db2.gz DEVHMYIHDFNZMV-NSHDSACASA-N -1 3 382.446 0.076 20 0 GCADHM COCCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821686885 606998766 /nfs/dbraw/zinc/99/87/66/606998766.db2.gz DEVHMYIHDFNZMV-NSHDSACASA-N -1 3 382.446 0.076 20 0 GCADHM Cn1c2ccncc2n(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1=O ZINC000822596467 606998827 /nfs/dbraw/zinc/99/88/27/606998827.db2.gz KVYGDSJLYWRHSV-UHFFFAOYSA-N -1 3 392.427 0.090 20 0 GCADHM Cn1c2ccncc2n(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1=O ZINC000822596467 606998828 /nfs/dbraw/zinc/99/88/28/606998828.db2.gz KVYGDSJLYWRHSV-UHFFFAOYSA-N -1 3 392.427 0.090 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822414741 606998852 /nfs/dbraw/zinc/99/88/52/606998852.db2.gz RWPPSTJRTJPFRV-JTQLQIEISA-N -1 3 390.429 0.512 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822414741 606998853 /nfs/dbraw/zinc/99/88/53/606998853.db2.gz RWPPSTJRTJPFRV-JTQLQIEISA-N -1 3 390.429 0.512 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C)CCCC1 ZINC000820444242 607002183 /nfs/dbraw/zinc/00/21/83/607002183.db2.gz HXTLQFJYEUSMSS-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C)CCCC1 ZINC000820444242 607002184 /nfs/dbraw/zinc/00/21/84/607002184.db2.gz HXTLQFJYEUSMSS-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM O=S(=O)(CC1CCCC1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823558015 607004221 /nfs/dbraw/zinc/00/42/21/607004221.db2.gz ZCQALDHINZPNCG-UHFFFAOYSA-N -1 3 377.474 0.904 20 0 GCADHM O=S(=O)(CC1CCCC1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823558015 607004224 /nfs/dbraw/zinc/00/42/24/607004224.db2.gz ZCQALDHINZPNCG-UHFFFAOYSA-N -1 3 377.474 0.904 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821325310 607005059 /nfs/dbraw/zinc/00/50/59/607005059.db2.gz DHZKLKRQGNFZPC-SNVBAGLBSA-N -1 3 383.405 0.970 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCN(C2CCCCC2)CC1 ZINC000823600972 607007499 /nfs/dbraw/zinc/00/74/99/607007499.db2.gz NHHONMYZWCDCFG-UHFFFAOYSA-N -1 3 377.474 0.901 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCN(C2CCCCC2)CC1 ZINC000823600972 607007500 /nfs/dbraw/zinc/00/75/00/607007500.db2.gz NHHONMYZWCDCFG-UHFFFAOYSA-N -1 3 377.474 0.901 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc[nH]c1=O ZINC000820449998 607016869 /nfs/dbraw/zinc/01/68/69/607016869.db2.gz FWXKQBPXMSVNDO-SECBINFHSA-N -1 3 389.397 0.273 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc[nH]c1=O ZINC000820449998 607016870 /nfs/dbraw/zinc/01/68/70/607016870.db2.gz FWXKQBPXMSVNDO-SECBINFHSA-N -1 3 389.397 0.273 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C[C@H]1CCCO1 ZINC000820438316 607019674 /nfs/dbraw/zinc/01/96/74/607019674.db2.gz MTZFQDDXQXKAIJ-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@H]1CCCO1 ZINC000820438316 607019675 /nfs/dbraw/zinc/01/96/75/607019675.db2.gz MTZFQDDXQXKAIJ-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@@H](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821673413 607020226 /nfs/dbraw/zinc/02/02/26/607020226.db2.gz AMGWPQIUKFYXQI-WDEREUQCSA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@@H](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821673413 607020227 /nfs/dbraw/zinc/02/02/27/607020227.db2.gz AMGWPQIUKFYXQI-WDEREUQCSA-N -1 3 382.446 0.075 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821578024 607020292 /nfs/dbraw/zinc/02/02/92/607020292.db2.gz KATRKGVHAOFPBQ-UHFFFAOYSA-N -1 3 398.427 0.948 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCO[C@H](C)C1 ZINC000820734213 607020396 /nfs/dbraw/zinc/02/03/96/607020396.db2.gz LSCZFUOHRATVDT-VXGBXAGGSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCO[C@H](C)C1 ZINC000820734213 607020398 /nfs/dbraw/zinc/02/03/98/607020398.db2.gz LSCZFUOHRATVDT-VXGBXAGGSA-N -1 3 394.457 0.171 20 0 GCADHM COCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821685762 607020774 /nfs/dbraw/zinc/02/07/74/607020774.db2.gz OWGNLAWUESTZBF-GHMZBOCLSA-N -1 3 382.446 0.075 20 0 GCADHM COCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821685762 607020776 /nfs/dbraw/zinc/02/07/76/607020776.db2.gz OWGNLAWUESTZBF-GHMZBOCLSA-N -1 3 382.446 0.075 20 0 GCADHM COCC(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821680274 607021246 /nfs/dbraw/zinc/02/12/46/607021246.db2.gz FDRVPVXTMGSMTP-SNVBAGLBSA-N -1 3 382.446 0.075 20 0 GCADHM COCC(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821680274 607021248 /nfs/dbraw/zinc/02/12/48/607021248.db2.gz FDRVPVXTMGSMTP-SNVBAGLBSA-N -1 3 382.446 0.075 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@H]1C ZINC000820444687 607022465 /nfs/dbraw/zinc/02/24/65/607022465.db2.gz LEUNIKBSJFXDIY-SUNKGSAMSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@H]1C ZINC000820444687 607022467 /nfs/dbraw/zinc/02/24/67/607022467.db2.gz LEUNIKBSJFXDIY-SUNKGSAMSA-N -1 3 378.458 0.838 20 0 GCADHM Cc1ccncc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822378563 607022932 /nfs/dbraw/zinc/02/29/32/607022932.db2.gz BKUOHHCHDKMADS-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccncc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822378563 607022935 /nfs/dbraw/zinc/02/29/35/607022935.db2.gz BKUOHHCHDKMADS-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM CN(C(=S)Nc1ccccc1-c1nnn[n-]1)C1CCN(S(C)(=O)=O)CC1 ZINC000821574523 607023625 /nfs/dbraw/zinc/02/36/25/607023625.db2.gz KGLJHADWFSFODP-UHFFFAOYSA-N -1 3 395.514 0.919 20 0 GCADHM CN(C(=S)Nc1ccccc1-c1nn[n-]n1)C1CCN(S(C)(=O)=O)CC1 ZINC000821574523 607023627 /nfs/dbraw/zinc/02/36/27/607023627.db2.gz KGLJHADWFSFODP-UHFFFAOYSA-N -1 3 395.514 0.919 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1cccnc1 ZINC000820438577 607025800 /nfs/dbraw/zinc/02/58/00/607025800.db2.gz SIWRYCGHJQRFLI-NSHDSACASA-N -1 3 387.425 0.592 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1cccnc1 ZINC000820438577 607025801 /nfs/dbraw/zinc/02/58/01/607025801.db2.gz SIWRYCGHJQRFLI-NSHDSACASA-N -1 3 387.425 0.592 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1cccnc1 ZINC000820438576 607025924 /nfs/dbraw/zinc/02/59/24/607025924.db2.gz SIWRYCGHJQRFLI-LLVKDONJSA-N -1 3 387.425 0.592 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1cccnc1 ZINC000820438576 607025925 /nfs/dbraw/zinc/02/59/25/607025925.db2.gz SIWRYCGHJQRFLI-LLVKDONJSA-N -1 3 387.425 0.592 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000822206863 607026558 /nfs/dbraw/zinc/02/65/58/607026558.db2.gz BMSCSJZAWKDCMY-LLVKDONJSA-N -1 3 387.425 0.298 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000822206863 607026560 /nfs/dbraw/zinc/02/65/60/607026560.db2.gz BMSCSJZAWKDCMY-LLVKDONJSA-N -1 3 387.425 0.298 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@]1(C)CCOC1 ZINC000820438484 607028625 /nfs/dbraw/zinc/02/86/25/607028625.db2.gz QMLKVZQKYOSJMR-BDJLRTHQSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@]1(C)CCOC1 ZINC000820438484 607028627 /nfs/dbraw/zinc/02/86/27/607028627.db2.gz QMLKVZQKYOSJMR-BDJLRTHQSA-N -1 3 394.457 0.076 20 0 GCADHM CC[C@@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821001322 607036446 /nfs/dbraw/zinc/03/64/46/607036446.db2.gz PZCNHNMVQHUDNH-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821001322 607036448 /nfs/dbraw/zinc/03/64/48/607036448.db2.gz PZCNHNMVQHUDNH-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000819996185 607037683 /nfs/dbraw/zinc/03/76/83/607037683.db2.gz ATCKUWZPTHJZGT-OAHLLOKOSA-N -1 3 398.427 0.543 20 0 GCADHM CSC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821956176 607038320 /nfs/dbraw/zinc/03/83/20/607038320.db2.gz IZWBMVLQHUFBKZ-UWVGGRQHSA-N -1 3 384.487 0.401 20 0 GCADHM CSC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821956176 607038321 /nfs/dbraw/zinc/03/83/21/607038321.db2.gz IZWBMVLQHUFBKZ-UWVGGRQHSA-N -1 3 384.487 0.401 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(Cc1cc(F)ccc1-c1nnn[n-]1)c2=O ZINC000821663844 607039223 /nfs/dbraw/zinc/03/92/23/607039223.db2.gz QLHCLYOTIGWYQZ-UHFFFAOYSA-N -1 3 384.331 0.134 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(Cc1cc(F)ccc1-c1nn[n-]n1)c2=O ZINC000821663844 607039225 /nfs/dbraw/zinc/03/92/25/607039225.db2.gz QLHCLYOTIGWYQZ-UHFFFAOYSA-N -1 3 384.331 0.134 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000819991218 607039561 /nfs/dbraw/zinc/03/95/61/607039561.db2.gz CCYFPPBEANFLDL-ZDUSSCGKSA-N -1 3 394.457 0.304 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000820736308 607039595 /nfs/dbraw/zinc/03/95/95/607039595.db2.gz YPOGMZOKIVUYOC-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820736308 607039596 /nfs/dbraw/zinc/03/95/96/607039596.db2.gz YPOGMZOKIVUYOC-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM CSCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821962022 607040122 /nfs/dbraw/zinc/04/01/22/607040122.db2.gz NRNVXXQBFGICGT-WDEREUQCSA-N -1 3 398.514 0.791 20 0 GCADHM CSCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821962022 607040123 /nfs/dbraw/zinc/04/01/23/607040123.db2.gz NRNVXXQBFGICGT-WDEREUQCSA-N -1 3 398.514 0.791 20 0 GCADHM CSCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821962021 607040204 /nfs/dbraw/zinc/04/02/04/607040204.db2.gz NRNVXXQBFGICGT-QWRGUYRKSA-N -1 3 398.514 0.791 20 0 GCADHM CSCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821962021 607040205 /nfs/dbraw/zinc/04/02/05/607040205.db2.gz NRNVXXQBFGICGT-QWRGUYRKSA-N -1 3 398.514 0.791 20 0 GCADHM CC[C@@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820907712 607041825 /nfs/dbraw/zinc/04/18/25/607041825.db2.gz GAYQNPPCGVPYTR-PWSUYJOCSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820907712 607041828 /nfs/dbraw/zinc/04/18/28/607041828.db2.gz GAYQNPPCGVPYTR-PWSUYJOCSA-N -1 3 382.446 0.075 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCSC[C@@H]1C ZINC000820445380 607041990 /nfs/dbraw/zinc/04/19/90/607041990.db2.gz PCPNHOBCRAHAAL-WDEREUQCSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCSC[C@@H]1C ZINC000820445380 607041992 /nfs/dbraw/zinc/04/19/92/607041992.db2.gz PCPNHOBCRAHAAL-WDEREUQCSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000820447472 607042485 /nfs/dbraw/zinc/04/24/85/607042485.db2.gz ZETLZQHCUVYQHN-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000820447472 607042486 /nfs/dbraw/zinc/04/24/86/607042486.db2.gz ZETLZQHCUVYQHN-TUAOUCFPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C[C@H](C)O ZINC000820474314 607042879 /nfs/dbraw/zinc/04/28/79/607042879.db2.gz RFMNXTGPAIGTQD-GRYCIOLGSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C[C@H](C)O ZINC000820474314 607042880 /nfs/dbraw/zinc/04/28/80/607042880.db2.gz RFMNXTGPAIGTQD-GRYCIOLGSA-N -1 3 396.473 0.057 20 0 GCADHM CCc1nnc(N2CCN(c3nc(N)ns3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821528909 607045046 /nfs/dbraw/zinc/04/50/46/607045046.db2.gz SPWDQRNLSVUVAG-UHFFFAOYSA-N -1 3 387.477 0.542 20 0 GCADHM CCc1nnc(N2CCN(c3nc(N)ns3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821528909 607045047 /nfs/dbraw/zinc/04/50/47/607045047.db2.gz SPWDQRNLSVUVAG-UHFFFAOYSA-N -1 3 387.477 0.542 20 0 GCADHM COC(C)(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821672709 607049931 /nfs/dbraw/zinc/04/99/31/607049931.db2.gz VEUCLGWESZBSPP-SNVBAGLBSA-N -1 3 382.446 0.075 20 0 GCADHM COC(C)(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821672709 607049932 /nfs/dbraw/zinc/04/99/32/607049932.db2.gz VEUCLGWESZBSPP-SNVBAGLBSA-N -1 3 382.446 0.075 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCC(F)(F)F ZINC000820451004 607051019 /nfs/dbraw/zinc/05/10/19/607051019.db2.gz QTAUIGOZLBFHQS-MRVPVSSYSA-N -1 3 392.363 0.602 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCC(F)(F)F ZINC000820451004 607051021 /nfs/dbraw/zinc/05/10/21/607051021.db2.gz QTAUIGOZLBFHQS-MRVPVSSYSA-N -1 3 392.363 0.602 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000820438574 607051131 /nfs/dbraw/zinc/05/11/31/607051131.db2.gz SGAPDUKMNGHMFW-TUAOUCFPSA-N -1 3 378.458 0.648 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000820438574 607051133 /nfs/dbraw/zinc/05/11/33/607051133.db2.gz SGAPDUKMNGHMFW-TUAOUCFPSA-N -1 3 378.458 0.648 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000820445140 607051137 /nfs/dbraw/zinc/05/11/37/607051137.db2.gz NXQXFRXPAXZURS-SRVKXCTJSA-N -1 3 378.458 0.648 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000820445140 607051139 /nfs/dbraw/zinc/05/11/39/607051139.db2.gz NXQXFRXPAXZURS-SRVKXCTJSA-N -1 3 378.458 0.648 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000820542251 607051228 /nfs/dbraw/zinc/05/12/28/607051228.db2.gz MRRRHZNJEVTVHT-LLVKDONJSA-N -1 3 379.442 0.575 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000820542251 607051230 /nfs/dbraw/zinc/05/12/30/607051230.db2.gz MRRRHZNJEVTVHT-LLVKDONJSA-N -1 3 379.442 0.575 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cccn1C ZINC000820450690 607051418 /nfs/dbraw/zinc/05/14/18/607051418.db2.gz OQLJTCMLZNFJJL-NSHDSACASA-N -1 3 389.441 0.188 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cccn1C ZINC000820450690 607051419 /nfs/dbraw/zinc/05/14/19/607051419.db2.gz OQLJTCMLZNFJJL-NSHDSACASA-N -1 3 389.441 0.188 20 0 GCADHM Cc1cnc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822389092 607053302 /nfs/dbraw/zinc/05/33/02/607053302.db2.gz KVVWKLOGZPOWOC-JTQLQIEISA-N -1 3 391.413 0.146 20 0 GCADHM Cc1cnc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822389092 607053304 /nfs/dbraw/zinc/05/33/04/607053304.db2.gz KVVWKLOGZPOWOC-JTQLQIEISA-N -1 3 391.413 0.146 20 0 GCADHM Cc1cnc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822389093 607053526 /nfs/dbraw/zinc/05/35/26/607053526.db2.gz KVVWKLOGZPOWOC-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM Cc1cnc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822389093 607053527 /nfs/dbraw/zinc/05/35/27/607053527.db2.gz KVVWKLOGZPOWOC-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@H]1CCOC1 ZINC000820445167 607054396 /nfs/dbraw/zinc/05/43/96/607054396.db2.gz ODOMQSOLIDRFLN-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@H]1CCOC1 ZINC000820445167 607054398 /nfs/dbraw/zinc/05/43/98/607054398.db2.gz ODOMQSOLIDRFLN-VXGBXAGGSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCCS1 ZINC000820444036 607060291 /nfs/dbraw/zinc/06/02/91/607060291.db2.gz DTBJBUYGBPJTDI-ZYHUDNBSSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCS1 ZINC000820444036 607060293 /nfs/dbraw/zinc/06/02/93/607060293.db2.gz DTBJBUYGBPJTDI-ZYHUDNBSSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@]1(C)CCCO1 ZINC000820438161 607060514 /nfs/dbraw/zinc/06/05/14/607060514.db2.gz JOOPUBHFQSALSO-BZNIZROVSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@]1(C)CCCO1 ZINC000820438161 607060517 /nfs/dbraw/zinc/06/05/17/607060517.db2.gz JOOPUBHFQSALSO-BZNIZROVSA-N -1 3 394.457 0.219 20 0 GCADHM CC[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820980216 607060975 /nfs/dbraw/zinc/06/09/75/607060975.db2.gz LDRPJDMDMMEMDA-NEPJUHHUSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820980216 607060977 /nfs/dbraw/zinc/06/09/77/607060977.db2.gz LDRPJDMDMMEMDA-NEPJUHHUSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820902863 607061010 /nfs/dbraw/zinc/06/10/10/607061010.db2.gz PAHGASCJDVZLLI-NEPJUHHUSA-N -1 3 396.473 0.058 20 0 GCADHM CC[C@@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820902863 607061012 /nfs/dbraw/zinc/06/10/12/607061012.db2.gz PAHGASCJDVZLLI-NEPJUHHUSA-N -1 3 396.473 0.058 20 0 GCADHM CC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820980227 607061055 /nfs/dbraw/zinc/06/10/55/607061055.db2.gz LDRPJDMDMMEMDA-VXGBXAGGSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820980227 607061056 /nfs/dbraw/zinc/06/10/56/607061056.db2.gz LDRPJDMDMMEMDA-VXGBXAGGSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820902866 607061216 /nfs/dbraw/zinc/06/12/16/607061216.db2.gz PAHGASCJDVZLLI-RYUDHWBXSA-N -1 3 396.473 0.058 20 0 GCADHM CC[C@@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820902866 607061217 /nfs/dbraw/zinc/06/12/17/607061217.db2.gz PAHGASCJDVZLLI-RYUDHWBXSA-N -1 3 396.473 0.058 20 0 GCADHM CC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820979174 607061264 /nfs/dbraw/zinc/06/12/64/607061264.db2.gz FXGWDYSIFPBBKW-VXGBXAGGSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820979174 607061266 /nfs/dbraw/zinc/06/12/66/607061266.db2.gz FXGWDYSIFPBBKW-VXGBXAGGSA-N -1 3 378.458 0.792 20 0 GCADHM O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823161044 607061506 /nfs/dbraw/zinc/06/15/06/607061506.db2.gz KEUNTCOKPQHCGH-CQSZACIVSA-N -1 3 394.443 0.374 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820054542 607062873 /nfs/dbraw/zinc/06/28/73/607062873.db2.gz AZHNOIZOJCJKKR-AAEUAGOBSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820054542 607062875 /nfs/dbraw/zinc/06/28/75/607062875.db2.gz AZHNOIZOJCJKKR-AAEUAGOBSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@]1(CCO)CCOC1 ZINC000819997125 607063035 /nfs/dbraw/zinc/06/30/35/607063035.db2.gz RGPTWGBVGWRCOX-GOSISDBHSA-N -1 3 375.429 0.929 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@]1(CCO)CCOC1 ZINC000819997125 607063036 /nfs/dbraw/zinc/06/30/36/607063036.db2.gz RGPTWGBVGWRCOX-GOSISDBHSA-N -1 3 375.429 0.929 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820859033 607063103 /nfs/dbraw/zinc/06/31/03/607063103.db2.gz ARWXXNPFHCDRNL-MISXGVKJSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820859033 607063104 /nfs/dbraw/zinc/06/31/04/607063104.db2.gz ARWXXNPFHCDRNL-MISXGVKJSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820995886 607063117 /nfs/dbraw/zinc/06/31/17/607063117.db2.gz ZUPKOSMMHOKLIF-HIFRSBDPSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820995886 607063120 /nfs/dbraw/zinc/06/31/20/607063120.db2.gz ZUPKOSMMHOKLIF-HIFRSBDPSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820995730 607063504 /nfs/dbraw/zinc/06/35/04/607063504.db2.gz WQQCHEZFNFOERO-ONGXEEELSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820995730 607063506 /nfs/dbraw/zinc/06/35/06/607063506.db2.gz WQQCHEZFNFOERO-ONGXEEELSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820861760 607063571 /nfs/dbraw/zinc/06/35/71/607063571.db2.gz NICJGUPGXAHXKI-WDMOLILDSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820861760 607063573 /nfs/dbraw/zinc/06/35/73/607063573.db2.gz NICJGUPGXAHXKI-WDMOLILDSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820993705 607063660 /nfs/dbraw/zinc/06/36/60/607063660.db2.gz APKCNOYJVYPSTP-ZFWWWQNUSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820993705 607063662 /nfs/dbraw/zinc/06/36/62/607063662.db2.gz APKCNOYJVYPSTP-ZFWWWQNUSA-N -1 3 392.485 0.586 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)[S@](C)=O ZINC000820243201 607064341 /nfs/dbraw/zinc/06/43/41/607064341.db2.gz XZEMMKKPINRLPO-MUDIAHQHSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)[S@](C)=O ZINC000820243201 607064342 /nfs/dbraw/zinc/06/43/42/607064342.db2.gz XZEMMKKPINRLPO-MUDIAHQHSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[S@@](C)=O ZINC000820240620 607064429 /nfs/dbraw/zinc/06/44/29/607064429.db2.gz CRQOZDNKZSNLMJ-BIXPNRAVSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[S@@](C)=O ZINC000820240620 607064432 /nfs/dbraw/zinc/06/44/32/607064432.db2.gz CRQOZDNKZSNLMJ-BIXPNRAVSA-N -1 3 392.489 0.250 20 0 GCADHM Fc1ccc(-c2nn[n-]n2)c(CN2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000822758182 607064756 /nfs/dbraw/zinc/06/47/56/607064756.db2.gz LGBGYIGKAVWYJL-UHFFFAOYSA-N -1 3 380.391 0.766 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000820438302 607066124 /nfs/dbraw/zinc/06/61/24/607066124.db2.gz MKMHIWHIOJSKKV-SRVKXCTJSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000820438302 607066126 /nfs/dbraw/zinc/06/61/26/607066126.db2.gz MKMHIWHIOJSKKV-SRVKXCTJSA-N -1 3 394.457 0.169 20 0 GCADHM Nc1nsc(N2CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)n1 ZINC000822912048 607076092 /nfs/dbraw/zinc/07/60/92/607076092.db2.gz KCRLSVWCGUKYBP-UHFFFAOYSA-N -1 3 392.474 0.123 20 0 GCADHM Nc1nsc(N2CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)n1 ZINC000822912048 607076094 /nfs/dbraw/zinc/07/60/94/607076094.db2.gz KCRLSVWCGUKYBP-UHFFFAOYSA-N -1 3 392.474 0.123 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3cc(F)ccc3-c3nnn[n-]3)cnc21 ZINC000822590751 607076264 /nfs/dbraw/zinc/07/62/64/607076264.db2.gz OVMFPLDHLZRXRI-UHFFFAOYSA-N -1 3 397.326 0.710 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3cc(F)ccc3-c3nn[n-]n3)cnc21 ZINC000822590751 607076266 /nfs/dbraw/zinc/07/62/66/607076266.db2.gz OVMFPLDHLZRXRI-UHFFFAOYSA-N -1 3 397.326 0.710 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821640467 607078760 /nfs/dbraw/zinc/07/87/60/607078760.db2.gz IXIQGXIMIVQVNN-OAHLLOKOSA-N -1 3 390.444 0.381 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821640467 607078761 /nfs/dbraw/zinc/07/87/61/607078761.db2.gz IXIQGXIMIVQVNN-OAHLLOKOSA-N -1 3 390.444 0.381 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821640739 607078774 /nfs/dbraw/zinc/07/87/74/607078774.db2.gz NXRCYIXDVVSZLW-OAHLLOKOSA-N -1 3 390.444 0.381 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821640739 607078775 /nfs/dbraw/zinc/07/87/75/607078775.db2.gz NXRCYIXDVVSZLW-OAHLLOKOSA-N -1 3 390.444 0.381 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCOC1 ZINC000820444310 607080424 /nfs/dbraw/zinc/08/04/24/607080424.db2.gz IHQBPLUUYCQAAG-QWRGUYRKSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCOC1 ZINC000820444310 607080425 /nfs/dbraw/zinc/08/04/25/607080425.db2.gz IHQBPLUUYCQAAG-QWRGUYRKSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1nccs1 ZINC000820447204 607080868 /nfs/dbraw/zinc/08/08/68/607080868.db2.gz YOHMWWWAGWZEAD-SECBINFHSA-N -1 3 394.438 0.733 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1nccs1 ZINC000820447204 607080869 /nfs/dbraw/zinc/08/08/69/607080869.db2.gz YOHMWWWAGWZEAD-SECBINFHSA-N -1 3 394.438 0.733 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCCCO1 ZINC000820450514 607082611 /nfs/dbraw/zinc/08/26/11/607082611.db2.gz LQBZQJZJHSBSTB-WCQYABFASA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCCCO1 ZINC000820450514 607082612 /nfs/dbraw/zinc/08/26/12/607082612.db2.gz LQBZQJZJHSBSTB-WCQYABFASA-N -1 3 395.441 0.646 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823345724 607084115 /nfs/dbraw/zinc/08/41/15/607084115.db2.gz COPMDXNXSQSSGD-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823345724 607084117 /nfs/dbraw/zinc/08/41/17/607084117.db2.gz COPMDXNXSQSSGD-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM CCC1(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)COC1 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COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)C2 ZINC000821727287 607093861 /nfs/dbraw/zinc/09/38/61/607093861.db2.gz GTLQUPRVQMZQKH-UHFFFAOYSA-N -1 3 394.395 0.497 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)C2 ZINC000821727287 607093862 /nfs/dbraw/zinc/09/38/62/607093862.db2.gz GTLQUPRVQMZQKH-UHFFFAOYSA-N -1 3 394.395 0.497 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000822215958 607093903 /nfs/dbraw/zinc/09/39/03/607093903.db2.gz AIROPDIWTFERFJ-CQSZACIVSA-N -1 3 383.412 0.383 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000822215958 607093904 /nfs/dbraw/zinc/09/39/04/607093904.db2.gz AIROPDIWTFERFJ-CQSZACIVSA-N -1 3 383.412 0.383 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821337519 607094982 /nfs/dbraw/zinc/09/49/82/607094982.db2.gz IHWHUZTXFGVBMN-CYBMUJFWSA-N -1 3 386.412 0.915 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821337519 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0.588 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCCCC1=O ZINC000820445428 607116223 /nfs/dbraw/zinc/11/62/23/607116223.db2.gz PUZLGRNDAHMEBK-IINYFYTJSA-N -1 3 393.425 0.588 20 0 GCADHM CCC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820833072 607116565 /nfs/dbraw/zinc/11/65/65/607116565.db2.gz SCRIIPAPWMSACF-NXEZZACHSA-N -1 3 381.414 0.444 20 0 GCADHM CCC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820833072 607116567 /nfs/dbraw/zinc/11/65/67/607116567.db2.gz SCRIIPAPWMSACF-NXEZZACHSA-N -1 3 381.414 0.444 20 0 GCADHM Cc1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)on1 ZINC000822200878 607116624 /nfs/dbraw/zinc/11/66/24/607116624.db2.gz GQJNLRSEXDBHRI-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)on1 ZINC000822200878 607116626 /nfs/dbraw/zinc/11/66/26/607116626.db2.gz GQJNLRSEXDBHRI-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cnc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822394944 607116831 /nfs/dbraw/zinc/11/68/31/607116831.db2.gz LQTHHBQRUASOMU-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cnc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822394944 607116832 /nfs/dbraw/zinc/11/68/32/607116832.db2.gz LQTHHBQRUASOMU-SNVBAGLBSA-N -1 3 392.397 0.573 20 0 GCADHM C[C@H]1CN(C(=O)COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000820732873 607118605 /nfs/dbraw/zinc/11/86/05/607118605.db2.gz AMHUPAHGJONGRJ-LBPRGKRZSA-N -1 3 389.412 0.815 20 0 GCADHM C[C@H]1CN(C(=O)COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000820732873 607118606 /nfs/dbraw/zinc/11/86/06/607118606.db2.gz AMHUPAHGJONGRJ-LBPRGKRZSA-N -1 3 389.412 0.815 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccon1 ZINC000820449960 607120627 /nfs/dbraw/zinc/12/06/27/607120627.db2.gz FNLWBQYHDPRZDF-VIFPVBQESA-N -1 3 378.370 0.265 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccon1 ZINC000820449960 607120628 /nfs/dbraw/zinc/12/06/28/607120628.db2.gz FNLWBQYHDPRZDF-VIFPVBQESA-N -1 3 378.370 0.265 20 0 GCADHM CC(C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820005010 607120649 /nfs/dbraw/zinc/12/06/49/607120649.db2.gz IMTSGUGSTCRCMK-SNVBAGLBSA-N -1 3 381.414 0.302 20 0 GCADHM CC(C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820005010 607120651 /nfs/dbraw/zinc/12/06/51/607120651.db2.gz IMTSGUGSTCRCMK-SNVBAGLBSA-N -1 3 381.414 0.302 20 0 GCADHM Cc1cc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000822201039 607121064 /nfs/dbraw/zinc/12/10/64/607121064.db2.gz NWXANOZHNLMOOA-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM Cc1cc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000822201039 607121067 /nfs/dbraw/zinc/12/10/67/607121067.db2.gz NWXANOZHNLMOOA-JTQLQIEISA-N -1 3 392.397 0.573 20 0 GCADHM CC1(O)CCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820629032 607122119 /nfs/dbraw/zinc/12/21/19/607122119.db2.gz TUVRKYLMAONMIG-UHFFFAOYSA-N 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C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1ncccc1[O-] ZINC000820451980 607127094 /nfs/dbraw/zinc/12/70/94/607127094.db2.gz YXJDYULRNQYEOS-SECBINFHSA-N -1 3 389.397 0.273 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000822859909 607132573 /nfs/dbraw/zinc/13/25/73/607132573.db2.gz JVRBJYRJKUWSNG-STQMWFEESA-N -1 3 376.442 0.249 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000822859909 607132576 /nfs/dbraw/zinc/13/25/76/607132576.db2.gz JVRBJYRJKUWSNG-STQMWFEESA-N -1 3 376.442 0.249 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000820151306 607135116 /nfs/dbraw/zinc/13/51/16/607135116.db2.gz GRSZZTWNSDGWBC-BXUZGUMPSA-N -1 3 389.416 0.808 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000820151306 607135117 /nfs/dbraw/zinc/13/51/17/607135117.db2.gz GRSZZTWNSDGWBC-BXUZGUMPSA-N -1 3 389.416 0.808 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000821412039 607136298 /nfs/dbraw/zinc/13/62/98/607136298.db2.gz GLZVZNCIBJCSPP-MFKMUULPSA-N -1 3 375.389 0.420 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000821412039 607136299 /nfs/dbraw/zinc/13/62/99/607136299.db2.gz GLZVZNCIBJCSPP-MFKMUULPSA-N -1 3 375.389 0.420 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)O1 ZINC000822859949 607138258 /nfs/dbraw/zinc/13/82/58/607138258.db2.gz KLPBVXLTCOHANQ-GZMMTYOYSA-N -1 3 397.342 0.623 20 0 GCADHM NC(=O)[C@H]1CC[C@@H](CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)O1 ZINC000822859949 607138260 /nfs/dbraw/zinc/13/82/60/607138260.db2.gz KLPBVXLTCOHANQ-GZMMTYOYSA-N -1 3 397.342 0.623 20 0 GCADHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000820121373 607144749 /nfs/dbraw/zinc/14/47/49/607144749.db2.gz QYIBISXKVDTYSA-HUUCEWRRSA-N -1 3 387.444 0.820 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000820121373 607144751 /nfs/dbraw/zinc/14/47/51/607144751.db2.gz QYIBISXKVDTYSA-HUUCEWRRSA-N -1 3 387.444 0.820 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCOC2(CCOCC2)C1 ZINC000822143697 607145951 /nfs/dbraw/zinc/14/59/51/607145951.db2.gz GFGZUOBAVBQPRG-UHFFFAOYSA-N -1 3 379.442 0.745 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCOC2(CCOCC2)C1 ZINC000822143697 607145950 /nfs/dbraw/zinc/14/59/50/607145950.db2.gz GFGZUOBAVBQPRG-UHFFFAOYSA-N -1 3 379.442 0.745 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)n2ncc(-c3nnn[n-]3)c2N)C1 ZINC000819933550 607146419 /nfs/dbraw/zinc/14/64/19/607146419.db2.gz VRIIMPPJCMHAIG-VIFPVBQESA-N -1 3 378.393 0.312 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCS[C@H]2COCC[C@H]21 ZINC000823601298 607146425 /nfs/dbraw/zinc/14/64/25/607146425.db2.gz ZLLHGLRIAQPETK-OLZOCXBDSA-N -1 3 385.446 0.901 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000822904403 607147208 /nfs/dbraw/zinc/14/72/08/607147208.db2.gz XXYUDDIWCKHUHG-UHFFFAOYSA-N -1 3 393.289 0.952 20 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/nfs/dbraw/zinc/16/02/97/607160297.db2.gz VXLQOQDLXSOSOM-UHFFFAOYSA-N -1 3 385.407 0.442 20 0 GCADHM Cc1cccc([C@@H](O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822288726 607162485 /nfs/dbraw/zinc/16/24/85/607162485.db2.gz HQNXBGMNFRYWDW-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1cccc([C@@H](O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822288726 607162487 /nfs/dbraw/zinc/16/24/87/607162487.db2.gz HQNXBGMNFRYWDW-INIZCTEOSA-N -1 3 380.408 0.755 20 0 GCADHM COCCc1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000821694256 607166244 /nfs/dbraw/zinc/16/62/44/607166244.db2.gz DYFMNROMYGOJCW-UHFFFAOYSA-N -1 3 384.400 0.158 20 0 GCADHM COCCc1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000821694256 607166247 /nfs/dbraw/zinc/16/62/47/607166247.db2.gz DYFMNROMYGOJCW-UHFFFAOYSA-N -1 3 384.400 0.158 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821684930 607166450 /nfs/dbraw/zinc/16/64/50/607166450.db2.gz OUACETBYAZBWHD-UHFFFAOYSA-N -1 3 387.444 0.422 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000821700378 607167548 /nfs/dbraw/zinc/16/75/48/607167548.db2.gz MPRYGTORAIXHGX-IUODEOHRSA-N -1 3 391.453 0.987 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000821700378 607167549 /nfs/dbraw/zinc/16/75/49/607167549.db2.gz MPRYGTORAIXHGX-IUODEOHRSA-N -1 3 391.453 0.987 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCOC3(CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822899618 607175742 /nfs/dbraw/zinc/17/57/42/607175742.db2.gz MCXMTLOUOQNQDS-LLVKDONJSA-N -1 3 394.457 0.654 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCOC3(CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822899618 607175743 /nfs/dbraw/zinc/17/57/43/607175743.db2.gz MCXMTLOUOQNQDS-LLVKDONJSA-N -1 3 394.457 0.654 20 0 GCADHM O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823188230 607179452 /nfs/dbraw/zinc/17/94/52/607179452.db2.gz VVBCTEUTGYVUET-UHFFFAOYSA-N -1 3 391.819 0.587 20 0 GCADHM O=C(NCCCN1CCCC1=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823188230 607179453 /nfs/dbraw/zinc/17/94/53/607179453.db2.gz VVBCTEUTGYVUET-UHFFFAOYSA-N -1 3 391.819 0.587 20 0 GCADHM C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820259640 607179837 /nfs/dbraw/zinc/17/98/37/607179837.db2.gz APFCDEWJGDSRHK-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820259640 607179838 /nfs/dbraw/zinc/17/98/38/607179838.db2.gz APFCDEWJGDSRHK-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM O=C(NCCNC(=O)C1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823196623 607180187 /nfs/dbraw/zinc/18/01/87/607180187.db2.gz JQDWWNIDVRGBPR-UHFFFAOYSA-N -1 3 377.792 0.101 20 0 GCADHM O=C(NCCNC(=O)C1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823196623 607180188 /nfs/dbraw/zinc/18/01/88/607180188.db2.gz JQDWWNIDVRGBPR-UHFFFAOYSA-N -1 3 377.792 0.101 20 0 GCADHM CN(C)C(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821575704 607180808 /nfs/dbraw/zinc/18/08/08/607180808.db2.gz MIHDNLQYBCMQRS-UHFFFAOYSA-N -1 3 379.808 0.443 20 0 GCADHM CN(C)C(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821575704 607180809 /nfs/dbraw/zinc/18/08/09/607180809.db2.gz MIHDNLQYBCMQRS-UHFFFAOYSA-N -1 3 379.808 0.443 20 0 GCADHM COCCn1cc(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000821695448 607180823 /nfs/dbraw/zinc/18/08/23/607180823.db2.gz ZWDGUHAGPJKBSQ-UHFFFAOYSA-N -1 3 390.791 0.940 20 0 GCADHM COCCn1cc(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000821695448 607180824 /nfs/dbraw/zinc/18/08/24/607180824.db2.gz ZWDGUHAGPJKBSQ-UHFFFAOYSA-N -1 3 390.791 0.940 20 0 GCADHM COCCc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000821694494 607180931 /nfs/dbraw/zinc/18/09/31/607180931.db2.gz PLPNKIIXCKSCEZ-UHFFFAOYSA-N -1 3 398.427 0.386 20 0 GCADHM COCCc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000821694494 607180932 /nfs/dbraw/zinc/18/09/32/607180932.db2.gz PLPNKIIXCKSCEZ-UHFFFAOYSA-N -1 3 398.427 0.386 20 0 GCADHM CCCNC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821114195 607181089 /nfs/dbraw/zinc/18/10/89/607181089.db2.gz KSJFKAXPGUDXNV-UHFFFAOYSA-N -1 3 379.808 0.491 20 0 GCADHM CCCNC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821114195 607181090 /nfs/dbraw/zinc/18/10/90/607181090.db2.gz KSJFKAXPGUDXNV-UHFFFAOYSA-N -1 3 379.808 0.491 20 0 GCADHM O=C(NCCCN1CCOC1=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823190715 607182077 /nfs/dbraw/zinc/18/20/77/607182077.db2.gz DOEWPIJKKHFWLE-UHFFFAOYSA-N -1 3 393.791 0.417 20 0 GCADHM O=C(NCCCN1CCOC1=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823190715 607182078 /nfs/dbraw/zinc/18/20/78/607182078.db2.gz DOEWPIJKKHFWLE-UHFFFAOYSA-N -1 3 393.791 0.417 20 0 GCADHM CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1=O ZINC000820126571 607183029 /nfs/dbraw/zinc/18/30/29/607183029.db2.gz AGMXSTCLSMPETE-SNVBAGLBSA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1=O ZINC000820126571 607183030 /nfs/dbraw/zinc/18/30/30/607183030.db2.gz AGMXSTCLSMPETE-SNVBAGLBSA-N -1 3 391.819 0.584 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821655667 607183613 /nfs/dbraw/zinc/18/36/13/607183613.db2.gz PGMTYDNVNGEUHA-SNVBAGLBSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821655667 607183614 /nfs/dbraw/zinc/18/36/14/607183614.db2.gz PGMTYDNVNGEUHA-SNVBAGLBSA-N -1 3 392.803 0.870 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000823360358 607185049 /nfs/dbraw/zinc/18/50/49/607185049.db2.gz ZZBVDJJDTXNONW-DYVFJYSZSA-N -1 3 388.453 0.976 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000823360358 607185050 /nfs/dbraw/zinc/18/50/50/607185050.db2.gz ZZBVDJJDTXNONW-DYVFJYSZSA-N -1 3 388.453 0.976 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000822899604 607186322 /nfs/dbraw/zinc/18/63/22/607186322.db2.gz LVWQIWCQIMOWSF-IUODEOHRSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000822899604 607186323 /nfs/dbraw/zinc/18/63/23/607186323.db2.gz LVWQIWCQIMOWSF-IUODEOHRSA-N -1 3 382.428 0.916 20 0 GCADHM CS[C@H](CO)[C@H](C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821948584 607187084 /nfs/dbraw/zinc/18/70/84/607187084.db2.gz CVKQZGWFMVJYNR-TVQRCGJNSA-N -1 3 388.457 0.477 20 0 GCADHM CS[C@H](CO)[C@H](C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821948584 607187085 /nfs/dbraw/zinc/18/70/85/607187085.db2.gz CVKQZGWFMVJYNR-TVQRCGJNSA-N -1 3 388.457 0.477 20 0 GCADHM CSC[C@@H](CCO)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821956055 607187207 /nfs/dbraw/zinc/18/72/07/607187207.db2.gz GGCIVAWBSSTQBM-LLVKDONJSA-N -1 3 388.457 0.478 20 0 GCADHM CSC[C@@H](CCO)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821956055 607187208 /nfs/dbraw/zinc/18/72/08/607187208.db2.gz GGCIVAWBSSTQBM-LLVKDONJSA-N -1 3 388.457 0.478 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000823265561 607188083 /nfs/dbraw/zinc/18/80/83/607188083.db2.gz AGBYLLALSAYGMJ-GFCCVEGCSA-N -1 3 387.425 0.308 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000823265561 607188084 /nfs/dbraw/zinc/18/80/84/607188084.db2.gz AGBYLLALSAYGMJ-GFCCVEGCSA-N -1 3 387.425 0.308 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000821407787 607194156 /nfs/dbraw/zinc/19/41/56/607194156.db2.gz XHKMBYROFHRKOC-JTQLQIEISA-N -1 3 381.418 0.160 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000821407787 607194157 /nfs/dbraw/zinc/19/41/57/607194157.db2.gz XHKMBYROFHRKOC-JTQLQIEISA-N -1 3 381.418 0.160 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821592369 607199147 /nfs/dbraw/zinc/19/91/47/607199147.db2.gz CLSSENLEBYAKPT-UHFFFAOYSA-N -1 3 379.808 0.843 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821592369 607199148 /nfs/dbraw/zinc/19/91/48/607199148.db2.gz CLSSENLEBYAKPT-UHFFFAOYSA-N -1 3 379.808 0.843 20 0 GCADHM CN1CCN(C(=O)CCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821625463 607199904 /nfs/dbraw/zinc/19/99/04/607199904.db2.gz OJRJPHDNXJIFJA-UHFFFAOYSA-N -1 3 392.851 0.806 20 0 GCADHM CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821595215 607200099 /nfs/dbraw/zinc/20/00/99/607200099.db2.gz PIUKCTFIGOLMFC-LBPRGKRZSA-N -1 3 395.851 0.677 20 0 GCADHM CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821595215 607200100 /nfs/dbraw/zinc/20/01/00/607200100.db2.gz PIUKCTFIGOLMFC-LBPRGKRZSA-N -1 3 395.851 0.677 20 0 GCADHM COCCc1cc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)n(C)n1 ZINC000821694608 607204628 /nfs/dbraw/zinc/20/46/28/607204628.db2.gz URHYVWSZHFADPL-UHFFFAOYSA-N -1 3 386.420 0.418 20 0 GCADHM COCCc1cc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)n(C)n1 ZINC000821694608 607204629 /nfs/dbraw/zinc/20/46/29/607204629.db2.gz URHYVWSZHFADPL-UHFFFAOYSA-N -1 3 386.420 0.418 20 0 GCADHM O=C(Cc1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1)NCCO ZINC000823082447 607222229 /nfs/dbraw/zinc/22/22/29/607222229.db2.gz JGEUCLSGWWYEAA-UHFFFAOYSA-N -1 3 380.408 0.699 20 0 GCADHM O=C(Cc1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1)NCCO ZINC000823082447 607222230 /nfs/dbraw/zinc/22/22/30/607222230.db2.gz JGEUCLSGWWYEAA-UHFFFAOYSA-N -1 3 380.408 0.699 20 0 GCADHM O=C(NCCCO)C1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000823192689 607225274 /nfs/dbraw/zinc/22/52/74/607225274.db2.gz YWCQLYQUCBRZLS-UHFFFAOYSA-N -1 3 394.382 0.496 20 0 GCADHM O=C(NCCCO)C1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000823192689 607225275 /nfs/dbraw/zinc/22/52/75/607225275.db2.gz YWCQLYQUCBRZLS-UHFFFAOYSA-N -1 3 394.382 0.496 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1 ZINC000822215175 607228117 /nfs/dbraw/zinc/22/81/17/607228117.db2.gz OXBBXFYZRPZTQI-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1 ZINC000822215175 607228118 /nfs/dbraw/zinc/22/81/18/607228118.db2.gz OXBBXFYZRPZTQI-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM NC(=O)Cc1ccccc1OS(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822873484 607230183 /nfs/dbraw/zinc/23/01/83/607230183.db2.gz CBAQWQXOWABOBS-UHFFFAOYSA-N -1 3 395.347 0.940 20 0 GCADHM NC(=O)Cc1ccccc1OS(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822873484 607230184 /nfs/dbraw/zinc/23/01/84/607230184.db2.gz CBAQWQXOWABOBS-UHFFFAOYSA-N -1 3 395.347 0.940 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1N1CCOCC1 ZINC000820993889 607230508 /nfs/dbraw/zinc/23/05/08/607230508.db2.gz BPHVYOAPDHFTFF-XJKSGUPXSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820993889 607230509 /nfs/dbraw/zinc/23/05/09/607230509.db2.gz BPHVYOAPDHFTFF-XJKSGUPXSA-N -1 3 392.485 0.598 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](CO)C1 ZINC000823497934 607231900 /nfs/dbraw/zinc/23/19/00/607231900.db2.gz BEXUGNPJTAKVMJ-OAHLLOKOSA-N -1 3 385.380 0.872 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](CO)C1 ZINC000823497934 607231901 /nfs/dbraw/zinc/23/19/01/607231901.db2.gz BEXUGNPJTAKVMJ-OAHLLOKOSA-N -1 3 385.380 0.872 20 0 GCADHM Cc1cc(NC(=O)CN(C)C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)no1 ZINC000822207565 607232809 /nfs/dbraw/zinc/23/28/09/607232809.db2.gz ZXCPDBFEWOPLNK-UHFFFAOYSA-N -1 3 376.764 0.922 20 0 GCADHM Cc1cc(NC(=O)CN(C)C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)no1 ZINC000822207565 607232810 /nfs/dbraw/zinc/23/28/10/607232810.db2.gz ZXCPDBFEWOPLNK-UHFFFAOYSA-N -1 3 376.764 0.922 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000820526710 607234893 /nfs/dbraw/zinc/23/48/93/607234893.db2.gz JPAUDCLUTRPRPG-AAEUAGOBSA-N -1 3 394.457 0.304 20 0 GCADHM CC(C)(C)OC(=O)NC1CCN(CC(=O)n2ncc(-c3nnn[n-]3)c2N)CC1 ZINC000819940071 607237237 /nfs/dbraw/zinc/23/72/37/607237237.db2.gz OSSZUKNJEPJEAU-UHFFFAOYSA-N -1 3 391.436 0.275 20 0 GCADHM CC(C)(C)OC(=O)NC1CCN(CC(=O)n2ncc(-c3nn[n-]n3)c2N)CC1 ZINC000819940071 607237238 /nfs/dbraw/zinc/23/72/38/607237238.db2.gz OSSZUKNJEPJEAU-UHFFFAOYSA-N -1 3 391.436 0.275 20 0 GCADHM C[C@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819884343 607247697 /nfs/dbraw/zinc/24/76/97/607247697.db2.gz VHTLJFGKJKFEEH-SECBINFHSA-N -1 3 384.389 0.894 20 0 GCADHM C[C@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819884343 607247698 /nfs/dbraw/zinc/24/76/98/607247698.db2.gz VHTLJFGKJKFEEH-SECBINFHSA-N -1 3 384.389 0.894 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](CC)CO)cc1-c1nnn[n-]1 ZINC000825522420 607772346 /nfs/dbraw/zinc/77/23/46/607772346.db2.gz FBTRVNOHVZTBRI-SECBINFHSA-N -1 3 391.388 0.261 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](CC)CO)cc1-c1nn[n-]n1 ZINC000825522420 607772347 /nfs/dbraw/zinc/77/23/47/607772347.db2.gz FBTRVNOHVZTBRI-SECBINFHSA-N -1 3 391.388 0.261 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N(CC)CCO)cc1-c1nnn[n-]1 ZINC000825523971 607772358 /nfs/dbraw/zinc/77/23/58/607772358.db2.gz XQDLPNZNFLYTKS-UHFFFAOYSA-N -1 3 391.388 0.214 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N(CC)CCO)cc1-c1nn[n-]n1 ZINC000825523971 607772359 /nfs/dbraw/zinc/77/23/59/607772359.db2.gz XQDLPNZNFLYTKS-UHFFFAOYSA-N -1 3 391.388 0.214 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)s1 ZINC000826329986 607772450 /nfs/dbraw/zinc/77/24/50/607772450.db2.gz AJJYZFYHBHEJKM-UHFFFAOYSA-N -1 3 399.440 0.314 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)s1 ZINC000826329986 607772451 /nfs/dbraw/zinc/77/24/51/607772451.db2.gz AJJYZFYHBHEJKM-UHFFFAOYSA-N -1 3 399.440 0.314 20 0 GCADHM C[C@]1(O)CCN(C(=O)C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)C1 ZINC000824843570 607773490 /nfs/dbraw/zinc/77/34/90/607773490.db2.gz GYFJXHIGQZYILN-KRWDZBQOSA-N -1 3 399.436 0.912 20 0 GCADHM C[C@]1(O)CCN(C(=O)C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)C1 ZINC000824843570 607773491 /nfs/dbraw/zinc/77/34/91/607773491.db2.gz GYFJXHIGQZYILN-KRWDZBQOSA-N -1 3 399.436 0.912 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)N1CC[C@@H](CO)C1 ZINC000826459321 607773926 /nfs/dbraw/zinc/77/39/26/607773926.db2.gz FNDKUVMHMMNWCZ-SNVBAGLBSA-N -1 3 399.436 0.770 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)N1CC[C@@H](CO)C1 ZINC000826459321 607773927 /nfs/dbraw/zinc/77/39/27/607773927.db2.gz FNDKUVMHMMNWCZ-SNVBAGLBSA-N -1 3 399.436 0.770 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](Cn3ccnn3)C2)c1-c1nnn[n-]1 ZINC000826299306 607774602 /nfs/dbraw/zinc/77/46/02/607774602.db2.gz ZIZPRSFZGXYSSH-ZDUSSCGKSA-N -1 3 395.427 0.644 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](Cn3ccnn3)C2)c1-c1nn[n-]n1 ZINC000826299306 607774603 /nfs/dbraw/zinc/77/46/03/607774603.db2.gz ZIZPRSFZGXYSSH-ZDUSSCGKSA-N -1 3 395.427 0.644 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826277081 607774696 /nfs/dbraw/zinc/77/46/96/607774696.db2.gz IRHVEGFSBBUYAM-ZDUSSCGKSA-N -1 3 395.427 0.644 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826277081 607774697 /nfs/dbraw/zinc/77/46/97/607774697.db2.gz IRHVEGFSBBUYAM-ZDUSSCGKSA-N -1 3 395.427 0.644 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826455820 607774786 /nfs/dbraw/zinc/77/47/86/607774786.db2.gz FZPPFVYYKODOBC-GFCCVEGCSA-N -1 3 381.400 0.336 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826455820 607774787 /nfs/dbraw/zinc/77/47/87/607774787.db2.gz FZPPFVYYKODOBC-GFCCVEGCSA-N -1 3 381.400 0.336 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826454383 607774947 /nfs/dbraw/zinc/77/49/47/607774947.db2.gz URTKYOSXVRZEAK-NSHDSACASA-N -1 3 399.390 0.475 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826454383 607774948 /nfs/dbraw/zinc/77/49/48/607774948.db2.gz URTKYOSXVRZEAK-NSHDSACASA-N -1 3 399.390 0.475 20 0 GCADHM CCOC(=O)Cc1nnc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)s1 ZINC000825518242 607775221 /nfs/dbraw/zinc/77/52/21/607775221.db2.gz VZOCDBJHBHUAJV-UHFFFAOYSA-N -1 3 389.397 0.841 20 0 GCADHM CCOC(=O)Cc1nnc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)s1 ZINC000825518242 607775222 /nfs/dbraw/zinc/77/52/22/607775222.db2.gz VZOCDBJHBHUAJV-UHFFFAOYSA-N -1 3 389.397 0.841 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C)CCOCC1 ZINC000824641607 607775704 /nfs/dbraw/zinc/77/57/04/607775704.db2.gz XKMLWTUCEWPZSM-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C)CCOCC1 ZINC000824641607 607775705 /nfs/dbraw/zinc/77/57/05/607775705.db2.gz XKMLWTUCEWPZSM-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(=O)N[C@@H]1CCOC1 ZINC000826455547 607776186 /nfs/dbraw/zinc/77/61/86/607776186.db2.gz TVKYHNRLJHUYPF-CYBMUJFWSA-N -1 3 395.379 0.898 20 0 GCADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(=O)N[C@@H]1CCOC1 ZINC000826455547 607776187 /nfs/dbraw/zinc/77/61/87/607776187.db2.gz TVKYHNRLJHUYPF-CYBMUJFWSA-N -1 3 395.379 0.898 20 0 GCADHM CCC(CC)(CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000825090300 607780584 /nfs/dbraw/zinc/78/05/84/607780584.db2.gz WAOXGIPFRVQEOI-UHFFFAOYSA-N -1 3 388.428 0.692 20 0 GCADHM CCC(CC)(CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825090300 607780585 /nfs/dbraw/zinc/78/05/85/607780585.db2.gz WAOXGIPFRVQEOI-UHFFFAOYSA-N -1 3 388.428 0.692 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826438092 607781783 /nfs/dbraw/zinc/78/17/83/607781783.db2.gz MVOJBJKARUNCRA-CYBMUJFWSA-N -1 3 397.447 0.387 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826438092 607781784 /nfs/dbraw/zinc/78/17/84/607781784.db2.gz MVOJBJKARUNCRA-CYBMUJFWSA-N -1 3 397.447 0.387 20 0 GCADHM O=C(NCc1ncccc1F)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826444225 607782787 /nfs/dbraw/zinc/78/27/87/607782787.db2.gz WVVOPGXRBNFVQD-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1ncccc1F)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826444225 607782788 /nfs/dbraw/zinc/78/27/88/607782788.db2.gz WVVOPGXRBNFVQD-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826223626 607794212 /nfs/dbraw/zinc/79/42/12/607794212.db2.gz UFWCIAVHTSHJFR-JTQLQIEISA-N -1 3 397.436 0.087 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826223626 607794213 /nfs/dbraw/zinc/79/42/13/607794213.db2.gz UFWCIAVHTSHJFR-JTQLQIEISA-N -1 3 397.436 0.087 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCC(Cn2ccnn2)CC1 ZINC000826438681 607794484 /nfs/dbraw/zinc/79/44/84/607794484.db2.gz MPRBVPSYUMAFLK-UHFFFAOYSA-N -1 3 397.443 0.959 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000826223249 607794583 /nfs/dbraw/zinc/79/45/83/607794583.db2.gz GQIVBJOPSXFIEG-MRVPVSSYSA-N -1 3 386.384 0.156 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000826223249 607794584 /nfs/dbraw/zinc/79/45/84/607794584.db2.gz GQIVBJOPSXFIEG-MRVPVSSYSA-N -1 3 386.384 0.156 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826223642 607794889 /nfs/dbraw/zinc/79/48/89/607794889.db2.gz UUVWFJLYKDOTEQ-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826223642 607794890 /nfs/dbraw/zinc/79/48/90/607794890.db2.gz UUVWFJLYKDOTEQ-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826223068 607795896 /nfs/dbraw/zinc/79/58/96/607795896.db2.gz AAPWZJYSUXTINX-LJTDUEICSA-N -1 3 376.442 0.420 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826223068 607795897 /nfs/dbraw/zinc/79/58/97/607795897.db2.gz AAPWZJYSUXTINX-LJTDUEICSA-N -1 3 376.442 0.420 20 0 GCADHM Cc1c(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cccc1-c1nnn[n-]1 ZINC000826241429 607804133 /nfs/dbraw/zinc/80/41/33/607804133.db2.gz CZNGZSRMOZNRJO-LLVKDONJSA-N -1 3 379.446 0.578 20 0 GCADHM Cc1c(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cccc1-c1nn[n-]n1 ZINC000826241429 607804134 /nfs/dbraw/zinc/80/41/34/607804134.db2.gz CZNGZSRMOZNRJO-LLVKDONJSA-N -1 3 379.446 0.578 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000826456210 607805746 /nfs/dbraw/zinc/80/57/46/607805746.db2.gz UTKTYEXYHUSMJE-AWEZNQCLSA-N -1 3 378.396 0.595 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000826456210 607805747 /nfs/dbraw/zinc/80/57/47/607805747.db2.gz UTKTYEXYHUSMJE-AWEZNQCLSA-N -1 3 378.396 0.595 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC2(CC(F)C2)C1 ZINC000824640422 607806885 /nfs/dbraw/zinc/80/68/85/607806885.db2.gz IJWMAMACOYACAO-JTQLQIEISA-N -1 3 394.432 0.494 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC2(CC(F)C2)C1 ZINC000824640422 607806886 /nfs/dbraw/zinc/80/68/86/607806886.db2.gz IJWMAMACOYACAO-JTQLQIEISA-N -1 3 394.432 0.494 20 0 GCADHM CS(=O)(=O)CCN(C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826222694 607807094 /nfs/dbraw/zinc/80/70/94/607807094.db2.gz IDQMIUYUZUUZOV-UHFFFAOYSA-N -1 3 394.457 0.464 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000826223279 607807165 /nfs/dbraw/zinc/80/71/65/607807165.db2.gz HNXMOMNQYBZJMO-JTQLQIEISA-N -1 3 381.487 0.435 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000826223279 607807166 /nfs/dbraw/zinc/80/71/66/607807166.db2.gz HNXMOMNQYBZJMO-JTQLQIEISA-N -1 3 381.487 0.435 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000826223552 607809414 /nfs/dbraw/zinc/80/94/14/607809414.db2.gz RBYRTXUGQQUYLH-MRVPVSSYSA-N -1 3 391.379 0.974 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000826223552 607809415 /nfs/dbraw/zinc/80/94/15/607809415.db2.gz RBYRTXUGQQUYLH-MRVPVSSYSA-N -1 3 391.379 0.974 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000826305360 607809549 /nfs/dbraw/zinc/80/95/49/607809549.db2.gz TYPFWJWCWHVOJM-LBPRGKRZSA-N -1 3 387.469 0.839 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000826305360 607809550 /nfs/dbraw/zinc/80/95/50/607809550.db2.gz TYPFWJWCWHVOJM-LBPRGKRZSA-N -1 3 387.469 0.839 20 0 GCADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825425006 607811813 /nfs/dbraw/zinc/81/18/13/607811813.db2.gz XCUQGVXFGDPADN-UHFFFAOYSA-N -1 3 393.878 0.575 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000826255404 607812129 /nfs/dbraw/zinc/81/21/29/607812129.db2.gz XKAUXOSUUBHVEK-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000826255404 607812130 /nfs/dbraw/zinc/81/21/30/607812130.db2.gz XKAUXOSUUBHVEK-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826255136 607812263 /nfs/dbraw/zinc/81/22/63/607812263.db2.gz NCXFBCWNUBCBTC-UHFFFAOYSA-N -1 3 388.457 0.868 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826255136 607812264 /nfs/dbraw/zinc/81/22/64/607812264.db2.gz NCXFBCWNUBCBTC-UHFFFAOYSA-N -1 3 388.457 0.868 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826488574 607812275 /nfs/dbraw/zinc/81/22/75/607812275.db2.gz TVYMTAMNFZLPMM-GFCCVEGCSA-N -1 3 389.416 0.958 20 0 GCADHM O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826488574 607812276 /nfs/dbraw/zinc/81/22/76/607812276.db2.gz TVYMTAMNFZLPMM-GFCCVEGCSA-N -1 3 389.416 0.958 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NCCCN1CCNC(=O)C1 ZINC000826420038 607813834 /nfs/dbraw/zinc/81/38/34/607813834.db2.gz WJDBREJMWAIGAY-UHFFFAOYSA-N -1 3 389.485 0.038 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCCCN1CCNC(=O)C1 ZINC000826420038 607813835 /nfs/dbraw/zinc/81/38/35/607813835.db2.gz WJDBREJMWAIGAY-UHFFFAOYSA-N -1 3 389.485 0.038 20 0 GCADHM CC(C)C(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824177301 607814318 /nfs/dbraw/zinc/81/43/18/607814318.db2.gz GZALSYRCGJGTBF-UHFFFAOYSA-N -1 3 392.485 0.441 20 0 GCADHM CC(C)C(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824177301 607814319 /nfs/dbraw/zinc/81/43/19/607814319.db2.gz GZALSYRCGJGTBF-UHFFFAOYSA-N -1 3 392.485 0.441 20 0 GCADHM O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826482182 607814881 /nfs/dbraw/zinc/81/48/81/607814881.db2.gz UXAIWPAPKOHNPW-UHFFFAOYSA-N -1 3 390.425 0.505 20 0 GCADHM O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826482182 607814882 /nfs/dbraw/zinc/81/48/82/607814882.db2.gz UXAIWPAPKOHNPW-UHFFFAOYSA-N -1 3 390.425 0.505 20 0 GCADHM O=c1c2ccccc2nnn1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826501632 607815184 /nfs/dbraw/zinc/81/51/84/607815184.db2.gz ZTFQUUOPNCVGOG-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM O=c1c2ccccc2nnn1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826501632 607815185 /nfs/dbraw/zinc/81/51/85/607815185.db2.gz ZTFQUUOPNCVGOG-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM O=S(=O)(CCN1CCO[C@H]([C@H]2CCCO2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484488 607816484 /nfs/dbraw/zinc/81/64/84/607816484.db2.gz FNLCTYVXJVGNHK-CVEARBPZSA-N -1 3 393.469 0.520 20 0 GCADHM O=S(=O)(CCN1CCO[C@H]([C@H]2CCCO2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484488 607816485 /nfs/dbraw/zinc/81/64/85/607816485.db2.gz FNLCTYVXJVGNHK-CVEARBPZSA-N -1 3 393.469 0.520 20 0 GCADHM O=S(=O)(CCN1CCO[C@@H]([C@@H]2CCCO2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484491 607816573 /nfs/dbraw/zinc/81/65/73/607816573.db2.gz FNLCTYVXJVGNHK-JKSUJKDBSA-N -1 3 393.469 0.520 20 0 GCADHM O=S(=O)(CCN1CCO[C@@H]([C@@H]2CCCO2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484491 607816574 /nfs/dbraw/zinc/81/65/74/607816574.db2.gz FNLCTYVXJVGNHK-JKSUJKDBSA-N -1 3 393.469 0.520 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826487323 607818887 /nfs/dbraw/zinc/81/88/87/607818887.db2.gz KZVWNXWTGZJEIQ-ZFWWWQNUSA-N -1 3 389.437 0.630 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@H](O)c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826487323 607818888 /nfs/dbraw/zinc/81/88/88/607818888.db2.gz KZVWNXWTGZJEIQ-ZFWWWQNUSA-N -1 3 389.437 0.630 20 0 GCADHM Cc1cccc(S(=O)(=O)Oc2cccc(OCC(N)=O)c2)c1-c1nnn[n-]1 ZINC000826304214 607818891 /nfs/dbraw/zinc/81/88/91/607818891.db2.gz CIPSHFRPTVWLNF-UHFFFAOYSA-N -1 3 389.393 0.807 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000824420339 607826084 /nfs/dbraw/zinc/82/60/84/607826084.db2.gz IEMQKUJUIAJJRG-FZMZJTMJSA-N -1 3 378.458 0.385 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000824420341 607826095 /nfs/dbraw/zinc/82/60/95/607826095.db2.gz IEMQKUJUIAJJRG-SMDDNHRTSA-N -1 3 378.458 0.385 20 0 GCADHM Cc1nc(SCC(=O)NC[C@H](C)S(C)(=O)=O)c(-c2nnn[n-]2)c(C)c1C ZINC000826327351 607826510 /nfs/dbraw/zinc/82/65/10/607826510.db2.gz DPODGMDYSIEGPJ-QMMMGPOBSA-N -1 3 398.514 0.828 20 0 GCADHM Cc1nc(SCC(=O)NC[C@H](C)S(C)(=O)=O)c(-c2nn[n-]n2)c(C)c1C ZINC000826327351 607826511 /nfs/dbraw/zinc/82/65/11/607826511.db2.gz DPODGMDYSIEGPJ-QMMMGPOBSA-N -1 3 398.514 0.828 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826411572 607826895 /nfs/dbraw/zinc/82/68/95/607826895.db2.gz DTLFGCMLBIZPHS-NUEKZKHPSA-N -1 3 382.424 0.670 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826411572 607826896 /nfs/dbraw/zinc/82/68/96/607826896.db2.gz DTLFGCMLBIZPHS-NUEKZKHPSA-N -1 3 382.424 0.670 20 0 GCADHM CCCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)CC(=O)N(C)C ZINC000825314085 607826988 /nfs/dbraw/zinc/82/69/88/607826988.db2.gz WWLGIOWWCWUPNA-UHFFFAOYSA-N -1 3 380.474 0.441 20 0 GCADHM CCCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)CC(=O)N(C)C ZINC000825314085 607826989 /nfs/dbraw/zinc/82/69/89/607826989.db2.gz WWLGIOWWCWUPNA-UHFFFAOYSA-N -1 3 380.474 0.441 20 0 GCADHM CCN(CC)C(=O)CN(C)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825406935 607827051 /nfs/dbraw/zinc/82/70/51/607827051.db2.gz VQRLYFTYRLVMKN-UHFFFAOYSA-N -1 3 380.474 0.441 20 0 GCADHM CCN(CC)C(=O)CN(C)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825406935 607827052 /nfs/dbraw/zinc/82/70/52/607827052.db2.gz VQRLYFTYRLVMKN-UHFFFAOYSA-N -1 3 380.474 0.441 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823994672 607827589 /nfs/dbraw/zinc/82/75/89/607827589.db2.gz MICUWYKVZIXQFF-AWEZNQCLSA-N -1 3 392.485 0.489 20 0 GCADHM CC(=O)NC[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823994672 607827590 /nfs/dbraw/zinc/82/75/90/607827590.db2.gz MICUWYKVZIXQFF-AWEZNQCLSA-N -1 3 392.485 0.489 20 0 GCADHM CN(CCN1CCCC1=O)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825938711 607827932 /nfs/dbraw/zinc/82/79/32/607827932.db2.gz XBNABOXXBIPKAF-UHFFFAOYSA-N -1 3 378.458 0.195 20 0 GCADHM CN(CCN1CCCC1=O)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825938711 607827933 /nfs/dbraw/zinc/82/79/33/607827933.db2.gz XBNABOXXBIPKAF-UHFFFAOYSA-N -1 3 378.458 0.195 20 0 GCADHM COC(=O)[C@H]1CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000826133046 607830073 /nfs/dbraw/zinc/83/00/73/607830073.db2.gz JCQOBAJSDFABRO-RISCZKNCSA-N -1 3 379.442 0.381 20 0 GCADHM COC(=O)[C@H]1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000826133046 607830074 /nfs/dbraw/zinc/83/00/74/607830074.db2.gz JCQOBAJSDFABRO-RISCZKNCSA-N -1 3 379.442 0.381 20 0 GCADHM O=S(=O)(CCN1CCN(CCCCO)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826485011 607830452 /nfs/dbraw/zinc/83/04/52/607830452.db2.gz YSWLECMXHMKSRJ-UHFFFAOYSA-N -1 3 394.501 0.031 20 0 GCADHM O=S(=O)(CCN1CCN(CCCCO)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826485011 607830453 /nfs/dbraw/zinc/83/04/53/607830453.db2.gz YSWLECMXHMKSRJ-UHFFFAOYSA-N -1 3 394.501 0.031 20 0 GCADHM O=S(=O)(CCN1CCS[C@H]2COCC[C@@H]21)c1cccc(-c2nnn[n-]2)c1 ZINC000826484945 607830494 /nfs/dbraw/zinc/83/04/94/607830494.db2.gz VTDBRIHVKRARHC-GJZGRUSLSA-N -1 3 395.510 0.847 20 0 GCADHM O=S(=O)(CCN1CCS[C@H]2COCC[C@@H]21)c1cccc(-c2nn[n-]n2)c1 ZINC000826484945 607830495 /nfs/dbraw/zinc/83/04/95/607830495.db2.gz VTDBRIHVKRARHC-GJZGRUSLSA-N -1 3 395.510 0.847 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000826174556 607832176 /nfs/dbraw/zinc/83/21/76/607832176.db2.gz BKLLDPFAXWIIOW-HNNXBMFYSA-N -1 3 383.408 0.974 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000826174556 607832177 /nfs/dbraw/zinc/83/21/77/607832177.db2.gz BKLLDPFAXWIIOW-HNNXBMFYSA-N -1 3 383.408 0.974 20 0 GCADHM COc1ncnc(N(C)C)c1NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826222514 607835096 /nfs/dbraw/zinc/83/50/96/607835096.db2.gz ZIVWWQYQRYELHL-UHFFFAOYSA-N -1 3 399.419 0.360 20 0 GCADHM COc1ncnc(N(C)C)c1NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826222514 607835097 /nfs/dbraw/zinc/83/50/97/607835097.db2.gz ZIVWWQYQRYELHL-UHFFFAOYSA-N -1 3 399.419 0.360 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000825517396 607835869 /nfs/dbraw/zinc/83/58/69/607835869.db2.gz BZWRADCRDSPLBL-UHFFFAOYSA-N -1 3 397.395 0.913 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000825517396 607835870 /nfs/dbraw/zinc/83/58/70/607835870.db2.gz BZWRADCRDSPLBL-UHFFFAOYSA-N -1 3 397.395 0.913 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000824420660 607836431 /nfs/dbraw/zinc/83/64/31/607836431.db2.gz NPRDEDSKSGHBMH-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000824420660 607836432 /nfs/dbraw/zinc/83/64/32/607836432.db2.gz NPRDEDSKSGHBMH-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM COCC[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826154245 607836651 /nfs/dbraw/zinc/83/66/51/607836651.db2.gz LDUOBULRQFKWGN-WDEREUQCSA-N -1 3 383.430 0.502 20 0 GCADHM COCC[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826154245 607836652 /nfs/dbraw/zinc/83/66/52/607836652.db2.gz LDUOBULRQFKWGN-WDEREUQCSA-N -1 3 383.430 0.502 20 0 GCADHM CC[C@H](CCOC)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825114718 607836717 /nfs/dbraw/zinc/83/67/17/607836717.db2.gz PJAVDFDWKIEXEX-DGCLKSJQSA-N -1 3 397.457 0.892 20 0 GCADHM CC[C@H](CCOC)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825114718 607836718 /nfs/dbraw/zinc/83/67/18/607836718.db2.gz PJAVDFDWKIEXEX-DGCLKSJQSA-N -1 3 397.457 0.892 20 0 GCADHM CC[C@@H](CCOC)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825114628 607836748 /nfs/dbraw/zinc/83/67/48/607836748.db2.gz PJAVDFDWKIEXEX-AAEUAGOBSA-N -1 3 397.457 0.892 20 0 GCADHM CC[C@@H](CCOC)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825114628 607836749 /nfs/dbraw/zinc/83/67/49/607836749.db2.gz PJAVDFDWKIEXEX-AAEUAGOBSA-N -1 3 397.457 0.892 20 0 GCADHM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cnccc3-c3nnn[n-]3)CC2)C1 ZINC000824875321 607838890 /nfs/dbraw/zinc/83/88/90/607838890.db2.gz LKGSKAMWKLNWSB-GASCZTMLSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cnccc3-c3nn[n-]n3)CC2)C1 ZINC000824875321 607838891 /nfs/dbraw/zinc/83/88/91/607838891.db2.gz LKGSKAMWKLNWSB-GASCZTMLSA-N -1 3 384.488 0.888 20 0 GCADHM O=S(=O)(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cncc(Cl)c1 ZINC000826491646 607852108 /nfs/dbraw/zinc/85/21/08/607852108.db2.gz TXQDGGSJMOVTGD-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)[C@H]2C1 ZINC000826145822 607852674 /nfs/dbraw/zinc/85/26/74/607852674.db2.gz MQHLNIBFOCQSBC-KWCYVHTRSA-N -1 3 397.432 0.963 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)[C@H]2C1 ZINC000826145822 607852675 /nfs/dbraw/zinc/85/26/75/607852675.db2.gz MQHLNIBFOCQSBC-KWCYVHTRSA-N -1 3 397.432 0.963 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC000826145629 607852785 /nfs/dbraw/zinc/85/27/85/607852785.db2.gz JZHFAJRWEYXVCG-YUELXQCFSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC000826145629 607852786 /nfs/dbraw/zinc/85/27/86/607852786.db2.gz JZHFAJRWEYXVCG-YUELXQCFSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC000826146254 607852896 /nfs/dbraw/zinc/85/28/96/607852896.db2.gz SMDBGAKGKFYHML-KMUNFCNLSA-N -1 3 397.432 0.963 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000826432558 607856951 /nfs/dbraw/zinc/85/69/51/607856951.db2.gz FKTPFALUEHXPFS-MRXNPFEDSA-N -1 3 384.440 0.872 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](C2CCOCC2)C1 ZINC000826432558 607856952 /nfs/dbraw/zinc/85/69/52/607856952.db2.gz FKTPFALUEHXPFS-MRXNPFEDSA-N -1 3 384.440 0.872 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](CO)CC2CC2)cc1-c1nnn[n-]1 ZINC000824323916 607860557 /nfs/dbraw/zinc/86/05/57/607860557.db2.gz DAHOUPXAVQOGJU-ZDUSSCGKSA-N -1 3 388.428 0.870 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](CO)CC2CC2)cc1-c1nn[n-]n1 ZINC000824323916 607860558 /nfs/dbraw/zinc/86/05/58/607860558.db2.gz DAHOUPXAVQOGJU-ZDUSSCGKSA-N -1 3 388.428 0.870 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000826174350 607861310 /nfs/dbraw/zinc/86/13/10/607861310.db2.gz SQQZDVMYOPTURQ-ZDUSSCGKSA-N -1 3 388.428 0.581 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC000826174350 607861311 /nfs/dbraw/zinc/86/13/11/607861311.db2.gz SQQZDVMYOPTURQ-ZDUSSCGKSA-N -1 3 388.428 0.581 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NC[C@]1(O)CCOC1 ZINC000826176013 607862185 /nfs/dbraw/zinc/86/21/85/607862185.db2.gz XSYRACLCJLMNJJ-QGZVFWFLSA-N -1 3 377.401 0.302 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NC[C@]1(O)CCOC1 ZINC000826176013 607862186 /nfs/dbraw/zinc/86/21/86/607862186.db2.gz XSYRACLCJLMNJJ-QGZVFWFLSA-N -1 3 377.401 0.302 20 0 GCADHM O=C(NC[C@]1(O)CCOC1)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826434230 607862492 /nfs/dbraw/zinc/86/24/92/607862492.db2.gz HDRVTYBTVYWGQR-GOSISDBHSA-N -1 3 385.380 0.920 20 0 GCADHM O=C(NC[C@]1(O)CCOC1)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826434230 607862493 /nfs/dbraw/zinc/86/24/93/607862493.db2.gz HDRVTYBTVYWGQR-GOSISDBHSA-N -1 3 385.380 0.920 20 0 GCADHM CCOC(=O)c1cnn(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000825570319 607865957 /nfs/dbraw/zinc/86/59/57/607865957.db2.gz IDFIUHHMVWGZLO-UHFFFAOYSA-N -1 3 383.416 0.415 20 0 GCADHM CCOC(=O)c1cnn(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000825570319 607865958 /nfs/dbraw/zinc/86/59/58/607865958.db2.gz IDFIUHHMVWGZLO-UHFFFAOYSA-N -1 3 383.416 0.415 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@@H](O)CN1CCOCC1 ZINC000825609736 607872328 /nfs/dbraw/zinc/87/23/28/607872328.db2.gz SJQZALOCOPNSIW-LBPRGKRZSA-N -1 3 383.836 0.991 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@@H](O)CN1CCOCC1 ZINC000825609736 607872329 /nfs/dbraw/zinc/87/23/29/607872329.db2.gz SJQZALOCOPNSIW-LBPRGKRZSA-N -1 3 383.836 0.991 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(CN(C)c2ccccc2-c2nnn[n-]2)C1=O ZINC000825176381 607889228 /nfs/dbraw/zinc/88/92/28/607889228.db2.gz RLLLUAGJXAUSDT-GOSISDBHSA-N -1 3 395.427 0.851 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(CN(C)c2ccccc2-c2nn[n-]n2)C1=O ZINC000825176381 607889229 /nfs/dbraw/zinc/88/92/29/607889229.db2.gz RLLLUAGJXAUSDT-GOSISDBHSA-N -1 3 395.427 0.851 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)co1 ZINC000825875156 607894851 /nfs/dbraw/zinc/89/48/51/607894851.db2.gz BGDKFEPHTDJKBR-UHFFFAOYSA-N -1 3 394.388 0.779 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)co1 ZINC000825875156 607894852 /nfs/dbraw/zinc/89/48/52/607894852.db2.gz BGDKFEPHTDJKBR-UHFFFAOYSA-N -1 3 394.388 0.779 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](CO)Cc1ccco1 ZINC000826255634 607906261 /nfs/dbraw/zinc/90/62/61/607906261.db2.gz FBIHNBKJMSAOSR-LBPRGKRZSA-N -1 3 377.426 0.898 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](CO)Cc1ccco1 ZINC000826255634 607906262 /nfs/dbraw/zinc/90/62/62/607906262.db2.gz FBIHNBKJMSAOSR-LBPRGKRZSA-N -1 3 377.426 0.898 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825211410 607906998 /nfs/dbraw/zinc/90/69/98/607906998.db2.gz MNAMNHJBNYBDIR-SWLSCSKDSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825211410 607906999 /nfs/dbraw/zinc/90/69/99/607906999.db2.gz MNAMNHJBNYBDIR-SWLSCSKDSA-N -1 3 378.458 0.792 20 0 GCADHM COC[C@H](CCO)NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC000826149261 607907878 /nfs/dbraw/zinc/90/78/78/607907878.db2.gz DMADFKKIYJYPLH-JTQLQIEISA-N -1 3 378.458 0.988 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC000824640969 607912444 /nfs/dbraw/zinc/91/24/44/607912444.db2.gz QIRQXLPCBAHWJI-MNOVXSKESA-N -1 3 378.458 0.838 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC000824640969 607912445 /nfs/dbraw/zinc/91/24/45/607912445.db2.gz QIRQXLPCBAHWJI-MNOVXSKESA-N -1 3 378.458 0.838 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823980987 607914835 /nfs/dbraw/zinc/91/48/35/607914835.db2.gz IIZWZWKHWRJRHI-HNNXBMFYSA-N -1 3 386.412 0.427 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823980987 607914836 /nfs/dbraw/zinc/91/48/36/607914836.db2.gz IIZWZWKHWRJRHI-HNNXBMFYSA-N -1 3 386.412 0.427 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000823981768 607914993 /nfs/dbraw/zinc/91/49/93/607914993.db2.gz QZJJCIWMQUYWHI-NSHDSACASA-N -1 3 378.414 0.811 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000823981768 607914994 /nfs/dbraw/zinc/91/49/94/607914994.db2.gz QZJJCIWMQUYWHI-NSHDSACASA-N -1 3 378.414 0.811 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)OCc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000825035158 607915081 /nfs/dbraw/zinc/91/50/81/607915081.db2.gz WCMJFDHTHZRYSN-NSHDSACASA-N -1 3 387.396 0.955 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)OCc2cccc(C(=O)OC)c2-c2nn[n-]n2)C1 ZINC000825035158 607915082 /nfs/dbraw/zinc/91/50/82/607915082.db2.gz WCMJFDHTHZRYSN-NSHDSACASA-N -1 3 387.396 0.955 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000824737064 607918176 /nfs/dbraw/zinc/91/81/76/607918176.db2.gz BNVLFRJCZSYBQE-LLVKDONJSA-N -1 3 379.442 0.575 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826068316 607918876 /nfs/dbraw/zinc/91/88/76/607918876.db2.gz QUSSRWNWZRNUJZ-AWEZNQCLSA-N -1 3 397.443 0.525 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826068316 607918877 /nfs/dbraw/zinc/91/88/77/607918877.db2.gz QUSSRWNWZRNUJZ-AWEZNQCLSA-N -1 3 397.443 0.525 20 0 GCADHM CCN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@H](C)CS(C)(=O)=O ZINC000825434639 607922598 /nfs/dbraw/zinc/92/25/98/607922598.db2.gz CLBYAOUTGCAWFB-LLVKDONJSA-N -1 3 381.458 0.908 20 0 GCADHM CCN(Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@H](C)CS(C)(=O)=O ZINC000825434639 607922599 /nfs/dbraw/zinc/92/25/99/607922599.db2.gz CLBYAOUTGCAWFB-LLVKDONJSA-N -1 3 381.458 0.908 20 0 GCADHM COC(=O)CN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)C1CCOCC1 ZINC000826138211 607924059 /nfs/dbraw/zinc/92/40/59/607924059.db2.gz KNQWVLKUWUSQKW-UHFFFAOYSA-N -1 3 389.412 0.807 20 0 GCADHM COC(=O)CN(Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)C1CCOCC1 ZINC000826138211 607924060 /nfs/dbraw/zinc/92/40/60/607924060.db2.gz KNQWVLKUWUSQKW-UHFFFAOYSA-N -1 3 389.412 0.807 20 0 GCADHM COCCc1noc(CN(C)Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)n1 ZINC000826163064 607924318 /nfs/dbraw/zinc/92/43/18/607924318.db2.gz FFBOXRQRTIFLBO-UHFFFAOYSA-N -1 3 387.400 0.857 20 0 GCADHM COCCc1noc(CN(C)Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)n1 ZINC000826163064 607924319 /nfs/dbraw/zinc/92/43/19/607924319.db2.gz FFBOXRQRTIFLBO-UHFFFAOYSA-N -1 3 387.400 0.857 20 0 GCADHM O=C(NCC1CCS(=O)(=O)CC1)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826435026 607928354 /nfs/dbraw/zinc/92/83/54/607928354.db2.gz FAVLYIDNWIJGSE-UHFFFAOYSA-N -1 3 390.469 0.980 20 0 GCADHM O=C(NCC1CCS(=O)(=O)CC1)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826435026 607928355 /nfs/dbraw/zinc/92/83/55/607928355.db2.gz FAVLYIDNWIJGSE-UHFFFAOYSA-N -1 3 390.469 0.980 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C1CCC1 ZINC000824471053 607928514 /nfs/dbraw/zinc/92/85/14/607928514.db2.gz NUFAMYZZPUJAPJ-LLVKDONJSA-N -1 3 395.427 0.750 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C1CCC1 ZINC000824471053 607928515 /nfs/dbraw/zinc/92/85/15/607928515.db2.gz NUFAMYZZPUJAPJ-LLVKDONJSA-N -1 3 395.427 0.750 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000824178527 607929303 /nfs/dbraw/zinc/92/93/03/607929303.db2.gz WDJLVUSZEBLBHM-UHFFFAOYSA-N -1 3 393.835 0.737 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000824178527 607929304 /nfs/dbraw/zinc/92/93/04/607929304.db2.gz WDJLVUSZEBLBHM-UHFFFAOYSA-N -1 3 393.835 0.737 20 0 GCADHM O=C(COC(=O)C[C@H]1C=CS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826415714 607929594 /nfs/dbraw/zinc/92/95/94/607929594.db2.gz PJAXAIXNRXPWIE-SNVBAGLBSA-N -1 3 377.382 0.297 20 0 GCADHM O=C(COC(=O)C[C@H]1C=CS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826415714 607929595 /nfs/dbraw/zinc/92/95/95/607929595.db2.gz PJAXAIXNRXPWIE-SNVBAGLBSA-N -1 3 377.382 0.297 20 0 GCADHM Cn1c2cccc(C(=O)NCCNc3ncccc3-c3nnn[n-]3)c2oc1=O ZINC000826354498 607934263 /nfs/dbraw/zinc/93/42/63/607934263.db2.gz HKTMRYFLVTURDU-UHFFFAOYSA-N -1 3 380.368 0.549 20 0 GCADHM Cn1c2cccc(C(=O)NCCNc3ncccc3-c3nn[n-]n3)c2oc1=O ZINC000826354498 607934264 /nfs/dbraw/zinc/93/42/64/607934264.db2.gz HKTMRYFLVTURDU-UHFFFAOYSA-N -1 3 380.368 0.549 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824450073 607937125 /nfs/dbraw/zinc/93/71/25/607937125.db2.gz RMSCLFCZHMQIPT-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824450073 607937126 /nfs/dbraw/zinc/93/71/26/607937126.db2.gz RMSCLFCZHMQIPT-ZETCQYMHSA-N -1 3 379.851 0.232 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cncc(I)c1 ZINC000826458976 607940332 /nfs/dbraw/zinc/94/03/32/607940332.db2.gz OXDKCFIDYMOGJH-UHFFFAOYSA-N -1 3 393.148 0.936 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cncc(I)c1 ZINC000826458976 607940333 /nfs/dbraw/zinc/94/03/33/607940333.db2.gz OXDKCFIDYMOGJH-UHFFFAOYSA-N -1 3 393.148 0.936 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@H](CO)CC(F)(F)F ZINC000826453285 607944372 /nfs/dbraw/zinc/94/43/72/607944372.db2.gz FAVSGGFTLBUSJP-ZETCQYMHSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@H](CO)CC(F)(F)F ZINC000826453285 607944373 /nfs/dbraw/zinc/94/43/73/607944373.db2.gz FAVSGGFTLBUSJP-ZETCQYMHSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCC(OCCO)CC1 ZINC000826452081 607945243 /nfs/dbraw/zinc/94/52/43/607945243.db2.gz HIUKNJDWHCUAPV-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CCC(OCCO)CC1 ZINC000826452081 607945244 /nfs/dbraw/zinc/94/52/44/607945244.db2.gz HIUKNJDWHCUAPV-UHFFFAOYSA-N -1 3 394.819 0.459 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1=O ZINC000824816316 607946982 /nfs/dbraw/zinc/94/69/82/607946982.db2.gz BLDSGOBWKYIYFQ-SFHVURJKSA-N -1 3 381.396 0.476 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1=O ZINC000824816316 607946983 /nfs/dbraw/zinc/94/69/83/607946983.db2.gz BLDSGOBWKYIYFQ-SFHVURJKSA-N -1 3 381.396 0.476 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC000826222551 607947808 /nfs/dbraw/zinc/94/78/08/607947808.db2.gz ALVQIDJEGWUYRE-UHFFFAOYSA-N -1 3 376.442 0.427 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC000826222551 607947807 /nfs/dbraw/zinc/94/78/07/607947807.db2.gz ALVQIDJEGWUYRE-UHFFFAOYSA-N -1 3 376.442 0.427 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC000826394271 607948972 /nfs/dbraw/zinc/94/89/72/607948972.db2.gz DITNUMMBLROIMJ-UHFFFAOYSA-N -1 3 384.421 0.646 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC000826394271 607948973 /nfs/dbraw/zinc/94/89/73/607948973.db2.gz DITNUMMBLROIMJ-UHFFFAOYSA-N -1 3 384.421 0.646 20 0 GCADHM Cn1ncc2c1nc(CCC(=O)N1CCc3ccc(-c4nnn[n-]4)cc31)[nH]c2=O ZINC000826366785 607951089 /nfs/dbraw/zinc/95/10/89/607951089.db2.gz XNIFUVYUSKHTAZ-UHFFFAOYSA-N -1 3 391.395 0.771 20 0 GCADHM Cn1ncc2c1nc(CCC(=O)N1CCc3ccc(-c4nn[n-]n4)cc31)[nH]c2=O ZINC000826366785 607951090 /nfs/dbraw/zinc/95/10/90/607951090.db2.gz XNIFUVYUSKHTAZ-UHFFFAOYSA-N -1 3 391.395 0.771 20 0 GCADHM O=C(CCCS(=O)(=O)N1CCCC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826406607 607953548 /nfs/dbraw/zinc/95/35/48/607953548.db2.gz DUBYDUJYCSQGLL-UHFFFAOYSA-N -1 3 390.469 0.962 20 0 GCADHM O=C(CCCS(=O)(=O)N1CCCC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826406607 607953549 /nfs/dbraw/zinc/95/35/49/607953549.db2.gz DUBYDUJYCSQGLL-UHFFFAOYSA-N -1 3 390.469 0.962 20 0 GCADHM CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1=O ZINC000825170811 607953966 /nfs/dbraw/zinc/95/39/66/607953966.db2.gz IGADUHJOSCNLHD-UHFFFAOYSA-N -1 3 383.412 0.866 20 0 GCADHM CCC1(CC)NC(=O)N(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1=O ZINC000825170811 607953967 /nfs/dbraw/zinc/95/39/67/607953967.db2.gz IGADUHJOSCNLHD-UHFFFAOYSA-N -1 3 383.412 0.866 20 0 GCADHM Cn1ccnc1[C@H]1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826363920 607958713 /nfs/dbraw/zinc/95/87/13/607958713.db2.gz FZUUKRMBACUMLL-AWEZNQCLSA-N -1 3 387.469 0.863 20 0 GCADHM Cn1ccnc1[C@H]1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826363920 607958714 /nfs/dbraw/zinc/95/87/14/607958714.db2.gz FZUUKRMBACUMLL-AWEZNQCLSA-N -1 3 387.469 0.863 20 0 GCADHM Cn1c(=O)cccc1C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826355160 607960235 /nfs/dbraw/zinc/96/02/35/607960235.db2.gz MWJPJATZVSXYNJ-UHFFFAOYSA-N -1 3 379.336 0.972 20 0 GCADHM Cn1c(=O)cccc1C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826355160 607960236 /nfs/dbraw/zinc/96/02/36/607960236.db2.gz MWJPJATZVSXYNJ-UHFFFAOYSA-N -1 3 379.336 0.972 20 0 GCADHM Cn1c2cccc(C(=O)Nc3nc4n(c3-c3nnn[n-]3)CCS4)c2oc1=O ZINC000826354668 607962745 /nfs/dbraw/zinc/96/27/45/607962745.db2.gz PGCJMUGUOHLCRU-UHFFFAOYSA-N -1 3 384.381 0.866 20 0 GCADHM Cn1c2cccc(C(=O)Nc3nc4n(c3-c3nn[n-]n3)CCS4)c2oc1=O ZINC000826354668 607962746 /nfs/dbraw/zinc/96/27/46/607962746.db2.gz PGCJMUGUOHLCRU-UHFFFAOYSA-N -1 3 384.381 0.866 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1cncc(N2CCOCC2)c1 ZINC000826459819 607963003 /nfs/dbraw/zinc/96/30/03/607963003.db2.gz ALCMFNVZEMRSOC-UHFFFAOYSA-N -1 3 399.440 0.653 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1cncc(N2CCOCC2)c1 ZINC000826459819 607963004 /nfs/dbraw/zinc/96/30/04/607963004.db2.gz ALCMFNVZEMRSOC-UHFFFAOYSA-N -1 3 399.440 0.653 20 0 GCADHM NC(=O)c1ccc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826393382 607963570 /nfs/dbraw/zinc/96/35/70/607963570.db2.gz PPHIASKREGTGHM-OAHLLOKOSA-N -1 3 378.396 0.968 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000825972199 607964358 /nfs/dbraw/zinc/96/43/58/607964358.db2.gz WNSCKHZGSDZUKF-UHFFFAOYSA-N -1 3 377.368 0.281 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000825972199 607964359 /nfs/dbraw/zinc/96/43/59/607964359.db2.gz WNSCKHZGSDZUKF-UHFFFAOYSA-N -1 3 377.368 0.281 20 0 GCADHM NC(=O)c1cnn2c1nccc2C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826394060 607964388 /nfs/dbraw/zinc/96/43/88/607964388.db2.gz VJRNSEQOJJTLEN-UHFFFAOYSA-N -1 3 381.331 0.077 20 0 GCADHM NC(=O)c1cnn2c1nccc2C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826394060 607964389 /nfs/dbraw/zinc/96/43/89/607964389.db2.gz VJRNSEQOJJTLEN-UHFFFAOYSA-N -1 3 381.331 0.077 20 0 GCADHM S=C(NC[C@@H]1CCCCO1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826511144 607966854 /nfs/dbraw/zinc/96/68/54/607966854.db2.gz DGZIWNLMGWHXDG-AWEZNQCLSA-N -1 3 388.501 0.827 20 0 GCADHM S=C(NC[C@@H]1CCCCO1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826511144 607966855 /nfs/dbraw/zinc/96/68/55/607966855.db2.gz DGZIWNLMGWHXDG-AWEZNQCLSA-N -1 3 388.501 0.827 20 0 GCADHM Cn1cnn(CN2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)c1=O ZINC000826365306 607971054 /nfs/dbraw/zinc/97/10/54/607971054.db2.gz IORBDFDKHIHMHF-UHFFFAOYSA-N -1 3 392.427 0.090 20 0 GCADHM Cn1cnn(CN2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)c1=O ZINC000826365306 607971055 /nfs/dbraw/zinc/97/10/55/607971055.db2.gz IORBDFDKHIHMHF-UHFFFAOYSA-N -1 3 392.427 0.090 20 0 GCADHM O=S(=O)(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826489033 607971427 /nfs/dbraw/zinc/97/14/27/607971427.db2.gz GFXHKHTXGBYAPS-ZFWWWQNUSA-N -1 3 375.385 0.942 20 0 GCADHM O=c1n(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)nc2n1CCCC2 ZINC000826501892 607971549 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CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000824109449 607976130 /nfs/dbraw/zinc/97/61/30/607976130.db2.gz QURDWZRKLFXCPP-LBPRGKRZSA-N -1 3 390.400 0.679 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000824109449 607976131 /nfs/dbraw/zinc/97/61/31/607976131.db2.gz QURDWZRKLFXCPP-LBPRGKRZSA-N -1 3 390.400 0.679 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000824109421 607976154 /nfs/dbraw/zinc/97/61/54/607976154.db2.gz PWULTWNYWOFSKD-GFCCVEGCSA-N -1 3 390.400 0.679 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000824109421 607976155 /nfs/dbraw/zinc/97/61/55/607976155.db2.gz PWULTWNYWOFSKD-GFCCVEGCSA-N -1 3 390.400 0.679 20 0 GCADHM CCS(=O)(=O)CCN(C)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825658523 607980204 /nfs/dbraw/zinc/98/02/04/607980204.db2.gz GBWXNALDZDNQKQ-UHFFFAOYSA-N -1 3 382.446 0.451 20 0 GCADHM CCS(=O)(=O)CCN(C)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825658523 607980205 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Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccnc(OCC(F)F)c1 ZINC000826395714 607991610 /nfs/dbraw/zinc/99/16/10/607991610.db2.gz QHUCKVWJPFHIMJ-UHFFFAOYSA-N -1 3 380.315 0.541 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccnc(OCC(F)F)c1 ZINC000826395714 607991611 /nfs/dbraw/zinc/99/16/11/607991611.db2.gz QHUCKVWJPFHIMJ-UHFFFAOYSA-N -1 3 380.315 0.541 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000825663774 607991693 /nfs/dbraw/zinc/99/16/93/607991693.db2.gz VYXFXTDJNORJGQ-NSHDSACASA-N -1 3 384.487 0.400 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000825663774 607991694 /nfs/dbraw/zinc/99/16/94/607991694.db2.gz VYXFXTDJNORJGQ-NSHDSACASA-N -1 3 384.487 0.400 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)[C@@H]1CCNC1=O ZINC000824052163 607992505 /nfs/dbraw/zinc/99/25/05/607992505.db2.gz LVWFPGHORZKOLF-PSASIEDQSA-N -1 3 375.458 0.564 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)[C@@H]1CCNC1=O ZINC000824052163 607992506 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20 0 GCADHM COC(=O)C1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826134319 608001519 /nfs/dbraw/zinc/00/15/19/608001519.db2.gz UYNFFSXVSMOMIC-UHFFFAOYSA-N -1 3 383.405 0.721 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NCCCN1CCOCC1 ZINC000826485876 608001897 /nfs/dbraw/zinc/00/18/97/608001897.db2.gz GNVSJLBZMKFOGM-UHFFFAOYSA-N -1 3 384.437 0.148 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCCN1CCOCC1 ZINC000826485876 608001898 /nfs/dbraw/zinc/00/18/98/608001898.db2.gz GNVSJLBZMKFOGM-UHFFFAOYSA-N -1 3 384.437 0.148 20 0 GCADHM C[C@@H](CNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)N1CCOCC1 ZINC000824427019 608002220 /nfs/dbraw/zinc/00/22/20/608002220.db2.gz JWGIUEUMVYGLDD-NSHDSACASA-N -1 3 384.437 0.146 20 0 GCADHM C[C@@H](CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)N1CCOCC1 ZINC000824427019 608002221 /nfs/dbraw/zinc/00/22/21/608002221.db2.gz JWGIUEUMVYGLDD-NSHDSACASA-N -1 3 384.437 0.146 20 0 GCADHM O=C(CNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)NCCO ZINC000826411703 608006471 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Cc1cncc(CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826319003 608024481 /nfs/dbraw/zinc/02/44/81/608024481.db2.gz KGDLXYHONJHJEM-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM Cc1cncc(CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826319003 608024482 /nfs/dbraw/zinc/02/44/82/608024482.db2.gz KGDLXYHONJHJEM-UHFFFAOYSA-N -1 3 379.428 0.997 20 0 GCADHM CS(=O)(=O)CCn1cccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1=O ZINC000826222812 608031347 /nfs/dbraw/zinc/03/13/47/608031347.db2.gz NXIKRDMNZSRNNK-UHFFFAOYSA-N -1 3 394.438 0.387 20 0 GCADHM CS(=O)(=O)CCn1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000826222860 608031499 /nfs/dbraw/zinc/03/14/99/608031499.db2.gz PZASLFOKPLHGOV-UHFFFAOYSA-N -1 3 388.409 0.325 20 0 GCADHM O=S1(=O)CC[C@H](CCN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000826496399 608032429 /nfs/dbraw/zinc/03/24/29/608032429.db2.gz UZJHNUHMDQQGFA-ZDUSSCGKSA-N -1 3 377.474 0.209 20 0 GCADHM O=S1(=O)CC[C@H](CCN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000826496399 608032430 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CC(=O)N1CCOC[C@H]1C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823981608 608120506 /nfs/dbraw/zinc/12/05/06/608120506.db2.gz OFTHNHZFPLMRKH-KRWDZBQOSA-N -1 3 399.455 0.199 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000824640784 608120984 /nfs/dbraw/zinc/12/09/84/608120984.db2.gz OVXPTGYOXQQOLW-RISCZKNCSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000824640784 608120985 /nfs/dbraw/zinc/12/09/85/608120985.db2.gz OVXPTGYOXQQOLW-RISCZKNCSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000824632777 608121035 /nfs/dbraw/zinc/12/10/35/608121035.db2.gz DQSMYCUREOXOKW-FZMZJTMJSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](C2CC2)C1 ZINC000824632777 608121036 /nfs/dbraw/zinc/12/10/36/608121036.db2.gz DQSMYCUREOXOKW-FZMZJTMJSA-N -1 3 390.469 0.792 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cnc2[nH]cnc2c1 ZINC000826432289 608121891 /nfs/dbraw/zinc/12/18/91/608121891.db2.gz XBABRZLJMKDMAJ-UHFFFAOYSA-N -1 3 390.411 0.932 20 0 GCADHM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000824449243 608124964 /nfs/dbraw/zinc/12/49/64/608124964.db2.gz MXWIQMYNQIGRDY-JHNRLJBESA-N -1 3 397.404 0.931 20 0 GCADHM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824449243 608124965 /nfs/dbraw/zinc/12/49/65/608124965.db2.gz MXWIQMYNQIGRDY-JHNRLJBESA-N -1 3 397.404 0.931 20 0 GCADHM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824448162 608125005 /nfs/dbraw/zinc/12/50/05/608125005.db2.gz GKCFPFAHBFYZLY-FZTITHCBSA-N -1 3 397.404 0.931 20 0 GCADHM C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824448162 608125006 /nfs/dbraw/zinc/12/50/06/608125006.db2.gz GKCFPFAHBFYZLY-FZTITHCBSA-N -1 3 397.404 0.931 20 0 GCADHM O=C1NC2(CO1)CCN(Cc1nnc(-c3ccc(-c4nnn[n-]4)cc3)o1)CC2 ZINC000826482407 608126862 /nfs/dbraw/zinc/12/68/62/608126862.db2.gz CZGIEKSJMPGRKD-UHFFFAOYSA-N -1 3 382.384 0.991 20 0 GCADHM O=C1NC2(CO1)CCN(Cc1nnc(-c3ccc(-c4nn[n-]n4)cc3)o1)CC2 ZINC000826482407 608126863 /nfs/dbraw/zinc/12/68/63/608126863.db2.gz CZGIEKSJMPGRKD-UHFFFAOYSA-N -1 3 382.384 0.991 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC3(COC(=O)N3)CC2)c(-c2nnn[n-]2)c1C ZINC000826342104 608126887 /nfs/dbraw/zinc/12/68/87/608126887.db2.gz YFEDUCIHSAAFJJ-JTQLQIEISA-N -1 3 389.416 0.978 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC3(COC(=O)N3)CC2)c(-c2nn[n-]n2)c1C ZINC000826342104 608126888 /nfs/dbraw/zinc/12/68/88/608126888.db2.gz YFEDUCIHSAAFJJ-JTQLQIEISA-N -1 3 389.416 0.978 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCOCC2(CCOCC2)C1 ZINC000826493752 608128596 /nfs/dbraw/zinc/12/85/96/608128596.db2.gz AXSHWNMZDCHURO-UHFFFAOYSA-N -1 3 379.442 0.684 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCOCC2(CCOCC2)C1 ZINC000826493752 608128597 /nfs/dbraw/zinc/12/85/97/608128597.db2.gz AXSHWNMZDCHURO-UHFFFAOYSA-N -1 3 379.442 0.684 20 0 GCADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824448481 608130116 /nfs/dbraw/zinc/13/01/16/608130116.db2.gz ILRJVBLYICGRSC-CEXHIMGSSA-N -1 3 391.501 0.461 20 0 GCADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824448481 608130117 /nfs/dbraw/zinc/13/01/17/608130117.db2.gz ILRJVBLYICGRSC-CEXHIMGSSA-N -1 3 391.501 0.461 20 0 GCADHM C[C@H](C[S@](C)=O)NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824450741 608130203 /nfs/dbraw/zinc/13/02/03/608130203.db2.gz ZECQEEJOGPDIJT-WTBMKEIZSA-N -1 3 378.458 0.717 20 0 GCADHM C[C@H](C[S@](C)=O)NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824450741 608130204 /nfs/dbraw/zinc/13/02/04/608130204.db2.gz ZECQEEJOGPDIJT-WTBMKEIZSA-N -1 3 378.458 0.717 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NCC[C@H]1CCOC1 ZINC000826419632 608133354 /nfs/dbraw/zinc/13/33/54/608133354.db2.gz GFZASSRELLWWAW-LBPRGKRZSA-N -1 3 379.442 0.324 20 0 GCADHM O=C(NC[C@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826435255 608142406 /nfs/dbraw/zinc/14/24/06/608142406.db2.gz JYXRGUOOIAXBTI-SNVBAGLBSA-N -1 3 396.404 0.028 20 0 GCADHM O=C(NC[C@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826435255 608142407 /nfs/dbraw/zinc/14/24/07/608142407.db2.gz JYXRGUOOIAXBTI-SNVBAGLBSA-N -1 3 396.404 0.028 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)cc1-c1nnn[n-]1 ZINC000824449311 608144467 /nfs/dbraw/zinc/14/44/67/608144467.db2.gz NRLXCQLYZPKIHZ-FLESLCNUSA-N -1 3 394.457 0.476 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)cc1-c1nn[n-]n1 ZINC000824449311 608144468 /nfs/dbraw/zinc/14/44/68/608144468.db2.gz NRLXCQLYZPKIHZ-FLESLCNUSA-N -1 3 394.457 0.476 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC3(COC(=O)N3)CC2)cccc1-c1nnn[n-]1 ZINC000826240641 608144796 /nfs/dbraw/zinc/14/47/96/608144796.db2.gz CGBASCHEPRSOEG-UHFFFAOYSA-N -1 3 385.384 0.215 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC3(COC(=O)N3)CC2)cccc1-c1nn[n-]n1 ZINC000826240641 608144797 /nfs/dbraw/zinc/14/47/97/608144797.db2.gz CGBASCHEPRSOEG-UHFFFAOYSA-N -1 3 385.384 0.215 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826481609 608145122 /nfs/dbraw/zinc/14/51/22/608145122.db2.gz BZWDZZSBDPMULU-UHFFFAOYSA-N -1 3 389.347 0.045 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826481609 608145123 /nfs/dbraw/zinc/14/51/23/608145123.db2.gz BZWDZZSBDPMULU-UHFFFAOYSA-N -1 3 389.347 0.045 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1-c1nnn[n-]1 ZINC000826302619 608158732 /nfs/dbraw/zinc/15/87/32/608158732.db2.gz OCZIGSSFAKGODT-LRDDRELGSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000826302619 608158733 /nfs/dbraw/zinc/15/87/33/608158733.db2.gz OCZIGSSFAKGODT-LRDDRELGSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1-c1nnn[n-]1 ZINC000826302618 608159050 /nfs/dbraw/zinc/15/90/50/608159050.db2.gz OCZIGSSFAKGODT-BLLLJJGKSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000826302618 608159051 /nfs/dbraw/zinc/15/90/51/608159051.db2.gz OCZIGSSFAKGODT-BLLLJJGKSA-N -1 3 379.442 0.792 20 0 GCADHM O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826488842 608159252 /nfs/dbraw/zinc/15/92/52/608159252.db2.gz AFANLUGJBRAATQ-IAQYHMDHSA-N -1 3 383.405 0.622 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826486563 608159361 /nfs/dbraw/zinc/15/93/61/608159361.db2.gz HKXOALCWNZFHGI-ZBFHGGJFSA-N -1 3 379.442 0.624 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826486563 608159362 /nfs/dbraw/zinc/15/93/62/608159362.db2.gz HKXOALCWNZFHGI-ZBFHGGJFSA-N -1 3 379.442 0.624 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000825583194 608164602 /nfs/dbraw/zinc/16/46/02/608164602.db2.gz RXFFSMMRWWBGIA-LLVKDONJSA-N -1 3 396.473 0.993 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC000825583194 608164604 /nfs/dbraw/zinc/16/46/04/608164604.db2.gz RXFFSMMRWWBGIA-LLVKDONJSA-N -1 3 396.473 0.993 20 0 GCADHM C[C@@H]1C[C@H](CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCO1 ZINC000824884291 608164724 /nfs/dbraw/zinc/16/47/24/608164724.db2.gz NAISNDWUUYVMQK-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H]1C[C@H](CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCO1 ZINC000824884291 608164726 /nfs/dbraw/zinc/16/47/26/608164726.db2.gz NAISNDWUUYVMQK-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H]1C[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824882551 608165555 /nfs/dbraw/zinc/16/55/55/608165555.db2.gz BRDINKPHYYOJCV-OCCSQVGLSA-N -1 3 393.469 0.713 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825581899 608166503 /nfs/dbraw/zinc/16/65/03/608166503.db2.gz FVUHXUFDWHUVSC-CYBMUJFWSA-N -1 3 387.400 0.927 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000825581899 608166504 /nfs/dbraw/zinc/16/65/04/608166504.db2.gz FVUHXUFDWHUVSC-CYBMUJFWSA-N -1 3 387.400 0.927 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000826417294 608166888 /nfs/dbraw/zinc/16/68/88/608166888.db2.gz MAFICFCONRXPGN-NVXWUHKLSA-N -1 3 383.408 0.846 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000825476245 608167329 /nfs/dbraw/zinc/16/73/29/608167329.db2.gz DEUUWEBYUQIQKS-NEPJUHHUSA-N -1 3 394.457 0.174 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000825476245 608167330 /nfs/dbraw/zinc/16/73/30/608167330.db2.gz DEUUWEBYUQIQKS-NEPJUHHUSA-N -1 3 394.457 0.174 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476452 608168056 /nfs/dbraw/zinc/16/80/56/608168056.db2.gz KPNVOGLJIOIEGI-RISCZKNCSA-N -1 3 394.457 0.174 20 0 GCADHM O=C(CCN1CCN2C(=O)OCC[C@H]2C1)Nc1sccc1-c1nnn[n-]1 ZINC000826407121 608168267 /nfs/dbraw/zinc/16/82/67/608168267.db2.gz BTCBHRBCJRJXCP-JTQLQIEISA-N -1 3 377.430 0.783 20 0 GCADHM O=C(CCN1CCN2C(=O)OCC[C@H]2C1)Nc1sccc1-c1nn[n-]n1 ZINC000826407121 608168269 /nfs/dbraw/zinc/16/82/69/608168269.db2.gz BTCBHRBCJRJXCP-JTQLQIEISA-N -1 3 377.430 0.783 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826175146 608168638 /nfs/dbraw/zinc/16/86/38/608168638.db2.gz UZOFIMPWKFPTRQ-SCLBCKFNSA-N -1 3 389.412 0.708 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826175146 608168639 /nfs/dbraw/zinc/16/86/39/608168639.db2.gz UZOFIMPWKFPTRQ-SCLBCKFNSA-N -1 3 389.412 0.708 20 0 GCADHM CN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)CC(C)(C)S(C)(=O)=O ZINC000825902148 608168800 /nfs/dbraw/zinc/16/88/00/608168800.db2.gz OPOGKJPNNJTYOH-CYBMUJFWSA-N -1 3 383.474 0.361 20 0 GCADHM CN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)CC(C)(C)S(C)(=O)=O ZINC000825892014 608168974 /nfs/dbraw/zinc/16/89/74/608168974.db2.gz BORLLTRTTAMPRV-UHFFFAOYSA-N -1 3 380.474 0.238 20 0 GCADHM CN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)CC(C)(C)S(C)(=O)=O ZINC000825892014 608168975 /nfs/dbraw/zinc/16/89/75/608168975.db2.gz BORLLTRTTAMPRV-UHFFFAOYSA-N -1 3 380.474 0.238 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000825897466 608169162 /nfs/dbraw/zinc/16/91/62/608169162.db2.gz GGKXBCDDZMEHAU-LLVKDONJSA-N -1 3 398.514 0.789 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000825897466 608169163 /nfs/dbraw/zinc/16/91/63/608169163.db2.gz GGKXBCDDZMEHAU-LLVKDONJSA-N -1 3 398.514 0.789 20 0 GCADHM O=C(CN1CCN2C(=O)OCC[C@@H]2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826411355 608169320 /nfs/dbraw/zinc/16/93/20/608169320.db2.gz VZPQCSKYTZDSBN-LLVKDONJSA-N -1 3 391.819 0.985 20 0 GCADHM O=C(CN1CCN2C(=O)OCC[C@@H]2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826411355 608169321 /nfs/dbraw/zinc/16/93/21/608169321.db2.gz VZPQCSKYTZDSBN-LLVKDONJSA-N -1 3 391.819 0.985 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CC(C)(C)S(C)(=O)=O ZINC000826116652 608169801 /nfs/dbraw/zinc/16/98/01/608169801.db2.gz COYVPORAZHUYRJ-ZDUSSCGKSA-N -1 3 381.458 0.836 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CC(C)(C)S(C)(=O)=O ZINC000826116652 608169804 /nfs/dbraw/zinc/16/98/04/608169804.db2.gz COYVPORAZHUYRJ-ZDUSSCGKSA-N -1 3 381.458 0.836 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826174735 608171092 /nfs/dbraw/zinc/17/10/92/608171092.db2.gz HOASCLKLGREMRR-LBPRGKRZSA-N -1 3 388.384 0.307 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826174735 608171094 /nfs/dbraw/zinc/17/10/94/608171094.db2.gz HOASCLKLGREMRR-LBPRGKRZSA-N -1 3 388.384 0.307 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CS(=O)(=O)C(C)C ZINC000825793597 608174564 /nfs/dbraw/zinc/17/45/64/608174564.db2.gz XQFJQAQARIPERP-UHFFFAOYSA-N -1 3 377.430 0.998 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CS(=O)(=O)C(C)C ZINC000825793597 608174566 /nfs/dbraw/zinc/17/45/66/608174566.db2.gz XQFJQAQARIPERP-UHFFFAOYSA-N -1 3 377.430 0.998 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000825793335 608177744 /nfs/dbraw/zinc/17/77/44/608177744.db2.gz QTGIBYGNOSMDQT-UHFFFAOYSA-N -1 3 397.399 0.505 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000825793335 608177746 /nfs/dbraw/zinc/17/77/46/608177746.db2.gz QTGIBYGNOSMDQT-UHFFFAOYSA-N -1 3 397.399 0.505 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)CCc1cnccn1 ZINC000825621645 608185688 /nfs/dbraw/zinc/18/56/88/608185688.db2.gz WICKNLJXECFPCX-UHFFFAOYSA-N -1 3 396.411 0.695 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CCc1cnccn1 ZINC000825621645 608185689 /nfs/dbraw/zinc/18/56/89/608185689.db2.gz WICKNLJXECFPCX-UHFFFAOYSA-N -1 3 396.411 0.695 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825006736 608186850 /nfs/dbraw/zinc/18/68/50/608186850.db2.gz OTSISBUVLOJPDT-CHWSQXEVSA-N -1 3 388.428 0.584 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825006736 608186851 /nfs/dbraw/zinc/18/68/51/608186851.db2.gz OTSISBUVLOJPDT-CHWSQXEVSA-N -1 3 388.428 0.584 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2n1CCCC2 ZINC000824477647 608186870 /nfs/dbraw/zinc/18/68/70/608186870.db2.gz BKXUJNUAUUKRJW-LLVKDONJSA-N -1 3 395.427 0.402 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2n1CCCC2 ZINC000824477647 608186872 /nfs/dbraw/zinc/18/68/72/608186872.db2.gz BKXUJNUAUUKRJW-LLVKDONJSA-N -1 3 395.427 0.402 20 0 GCADHM Cn1c(=O)cccc1C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826355408 608191895 /nfs/dbraw/zinc/19/18/95/608191895.db2.gz YBSXLPXFLLRJNO-UHFFFAOYSA-N -1 3 376.380 0.886 20 0 GCADHM Cn1c(=O)cccc1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826355408 608191897 /nfs/dbraw/zinc/19/18/97/608191897.db2.gz YBSXLPXFLLRJNO-UHFFFAOYSA-N -1 3 376.380 0.886 20 0 GCADHM CN(CCc1cnccn1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825950469 608197734 /nfs/dbraw/zinc/19/77/34/608197734.db2.gz PDAMEHAALZKTKW-UHFFFAOYSA-N -1 3 390.411 0.739 20 0 GCADHM CN(CCc1cnccn1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825950469 608197736 /nfs/dbraw/zinc/19/77/36/608197736.db2.gz PDAMEHAALZKTKW-UHFFFAOYSA-N -1 3 390.411 0.739 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCO[C@@]3(CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826395241 608199140 /nfs/dbraw/zinc/19/91/40/608199140.db2.gz TUMIIDSVNSMCSD-BMIGLBTASA-N -1 3 380.430 0.264 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCO[C@@]3(CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826395241 608199141 /nfs/dbraw/zinc/19/91/41/608199141.db2.gz TUMIIDSVNSMCSD-BMIGLBTASA-N -1 3 380.430 0.264 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000825476189 608205859 /nfs/dbraw/zinc/20/58/59/608205859.db2.gz BQWXDVMLMABYJU-GFCCVEGCSA-N -1 3 379.446 0.721 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000825476189 608205862 /nfs/dbraw/zinc/20/58/62/608205862.db2.gz BQWXDVMLMABYJU-GFCCVEGCSA-N -1 3 379.446 0.721 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1ncn(-c2ccccc2)n1 ZINC000825938390 608207576 /nfs/dbraw/zinc/20/75/76/608207576.db2.gz RGRKQOLOONVSLC-UHFFFAOYSA-N -1 3 379.432 0.817 20 0 GCADHM O=C(O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1(O)CCSCC1 ZINC000826477559 608210023 /nfs/dbraw/zinc/21/00/23/608210023.db2.gz GRBIHVOOJRELIX-CYBMUJFWSA-N -1 3 389.437 0.773 20 0 GCADHM O=C(O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1(O)CCSCC1 ZINC000826477559 608210024 /nfs/dbraw/zinc/21/00/24/608210024.db2.gz GRBIHVOOJRELIX-CYBMUJFWSA-N -1 3 389.437 0.773 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000825476325 608210712 /nfs/dbraw/zinc/21/07/12/608210712.db2.gz GOYGFXVRNZWJKF-NEPJUHHUSA-N -1 3 393.473 0.207 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000825476325 608210714 /nfs/dbraw/zinc/21/07/14/608210714.db2.gz GOYGFXVRNZWJKF-NEPJUHHUSA-N -1 3 393.473 0.207 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476196 608211010 /nfs/dbraw/zinc/21/10/10/608211010.db2.gz BUGFTAJCHLZDHP-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476196 608211011 /nfs/dbraw/zinc/21/10/11/608211011.db2.gz BUGFTAJCHLZDHP-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM O=C(c1sccc1-c1nnn[n-]1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000826475517 608214247 /nfs/dbraw/zinc/21/42/47/608214247.db2.gz ILHBNPZRBIJFMX-UHFFFAOYSA-N -1 3 378.458 0.228 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000826413942 608216516 /nfs/dbraw/zinc/21/65/16/608216516.db2.gz XKXPQJCGZCIEFT-UHFFFAOYSA-N -1 3 392.423 0.658 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000826413942 608216518 /nfs/dbraw/zinc/21/65/18/608216518.db2.gz XKXPQJCGZCIEFT-UHFFFAOYSA-N -1 3 392.423 0.658 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1ccc(N2CCCC2)nc1 ZINC000826413578 608217594 /nfs/dbraw/zinc/21/75/94/608217594.db2.gz KGRQMDDLCSILOD-UHFFFAOYSA-N -1 3 379.428 0.985 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1ccc(N2CCCC2)nc1 ZINC000826413578 608217596 /nfs/dbraw/zinc/21/75/96/608217596.db2.gz KGRQMDDLCSILOD-UHFFFAOYSA-N -1 3 379.428 0.985 20 0 GCADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SCC(=O)N2CCN(C)CC2)n1 ZINC000825560896 608217989 /nfs/dbraw/zinc/21/79/89/608217989.db2.gz XBDXNVKJWARCGI-UHFFFAOYSA-N -1 3 391.457 0.305 20 0 GCADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SCC(=O)N2CCN(C)CC2)n1 ZINC000825560896 608217990 /nfs/dbraw/zinc/21/79/90/608217990.db2.gz XBDXNVKJWARCGI-UHFFFAOYSA-N -1 3 391.457 0.305 20 0 GCADHM Cc1noc(C)c1CN1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826339041 608219495 /nfs/dbraw/zinc/21/94/95/608219495.db2.gz PARVAOBLCAXIDN-UHFFFAOYSA-N -1 3 397.443 0.623 20 0 GCADHM Cc1noc(C)c1CN1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826339041 608219497 /nfs/dbraw/zinc/21/94/97/608219497.db2.gz PARVAOBLCAXIDN-UHFFFAOYSA-N -1 3 397.443 0.623 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000826413349 608220549 /nfs/dbraw/zinc/22/05/49/608220549.db2.gz BEJUZVSXBKQSJM-SNVBAGLBSA-N -1 3 384.366 0.674 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000826413349 608220551 /nfs/dbraw/zinc/22/05/51/608220551.db2.gz BEJUZVSXBKQSJM-SNVBAGLBSA-N -1 3 384.366 0.674 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCCN1CCc2sccc2C1 ZINC000826413639 608220587 /nfs/dbraw/zinc/22/05/87/608220587.db2.gz MGUFPUKCNFVZLT-UHFFFAOYSA-N -1 3 384.469 0.910 20 0 GCADHM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824266199 608221013 /nfs/dbraw/zinc/22/10/13/608221013.db2.gz GPFSGVVEZULZES-LBPRGKRZSA-N -1 3 390.473 0.347 20 0 GCADHM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824266199 608221014 /nfs/dbraw/zinc/22/10/14/608221014.db2.gz GPFSGVVEZULZES-LBPRGKRZSA-N -1 3 390.473 0.347 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824094375 608221210 /nfs/dbraw/zinc/22/12/10/608221210.db2.gz SACCXSYRIJRXAZ-NSHDSACASA-N -1 3 390.473 0.490 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824094375 608221212 /nfs/dbraw/zinc/22/12/12/608221212.db2.gz SACCXSYRIJRXAZ-NSHDSACASA-N -1 3 390.473 0.490 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000826482811 608222478 /nfs/dbraw/zinc/22/24/78/608222478.db2.gz QVJREQSRURJUIV-INIZCTEOSA-N -1 3 378.396 0.373 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000826482811 608222480 /nfs/dbraw/zinc/22/24/80/608222480.db2.gz QVJREQSRURJUIV-INIZCTEOSA-N -1 3 378.396 0.373 20 0 GCADHM CCn1cnnc1C1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825805008 608223240 /nfs/dbraw/zinc/22/32/40/608223240.db2.gz ODPUDNFJVLTZQS-UHFFFAOYSA-N -1 3 382.432 0.691 20 0 GCADHM CCn1cnnc1C1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825805008 608223241 /nfs/dbraw/zinc/22/32/41/608223241.db2.gz ODPUDNFJVLTZQS-UHFFFAOYSA-N -1 3 382.432 0.691 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C(=O)N1c1ccccc1 ZINC000824883312 608224376 /nfs/dbraw/zinc/22/43/76/608224376.db2.gz GHLKMUAXMUGGHB-IUODEOHRSA-N -1 3 392.423 0.984 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C(=O)N1c1ccccc1 ZINC000824883312 608224379 /nfs/dbraw/zinc/22/43/79/608224379.db2.gz GHLKMUAXMUGGHB-IUODEOHRSA-N -1 3 392.423 0.984 20 0 GCADHM O=C(N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)[C@]1(O)CCSC1 ZINC000826426121 608231503 /nfs/dbraw/zinc/23/15/03/608231503.db2.gz GBMKMZCNHKWZDH-INIZCTEOSA-N -1 3 378.433 0.522 20 0 GCADHM O=C(N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)[C@]1(O)CCSC1 ZINC000826426121 608231505 /nfs/dbraw/zinc/23/15/05/608231505.db2.gz GBMKMZCNHKWZDH-INIZCTEOSA-N -1 3 378.433 0.522 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CCN(C(=O)[C@H](C)O)CC1 ZINC000826267926 608234773 /nfs/dbraw/zinc/23/47/73/608234773.db2.gz CEMZQXNVTKHRRZ-NSHDSACASA-N -1 3 385.403 0.892 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CCN(C(=O)[C@H](C)O)CC1 ZINC000826267926 608234774 /nfs/dbraw/zinc/23/47/74/608234774.db2.gz CEMZQXNVTKHRRZ-NSHDSACASA-N -1 3 385.403 0.892 20 0 GCADHM Cn1ccc(CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826362632 608237244 /nfs/dbraw/zinc/23/72/44/608237244.db2.gz BLYDXVJYCKDRKM-UHFFFAOYSA-N -1 3 382.432 0.463 20 0 GCADHM Cn1ccc(CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826362632 608237247 /nfs/dbraw/zinc/23/72/47/608237247.db2.gz BLYDXVJYCKDRKM-UHFFFAOYSA-N -1 3 382.432 0.463 20 0 GCADHM COC[C@H](O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826152058 608238852 /nfs/dbraw/zinc/23/88/52/608238852.db2.gz PHZFPTZVGNTNAG-MRVPVSSYSA-N -1 3 395.363 0.561 20 0 GCADHM COC[C@H](O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826152058 608238853 /nfs/dbraw/zinc/23/88/53/608238853.db2.gz PHZFPTZVGNTNAG-MRVPVSSYSA-N -1 3 395.363 0.561 20 0 GCADHM COC[C@@H](O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826152059 608239030 /nfs/dbraw/zinc/23/90/30/608239030.db2.gz PHZFPTZVGNTNAG-QMMMGPOBSA-N -1 3 395.363 0.561 20 0 GCADHM COC[C@@H](O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826152059 608239032 /nfs/dbraw/zinc/23/90/32/608239032.db2.gz PHZFPTZVGNTNAG-QMMMGPOBSA-N -1 3 395.363 0.561 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000826060373 608241126 /nfs/dbraw/zinc/24/11/26/608241126.db2.gz LSHLUOGWQFSKTN-DZGCQCFKSA-N -1 3 398.471 0.613 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826060373 608241128 /nfs/dbraw/zinc/24/11/28/608241128.db2.gz LSHLUOGWQFSKTN-DZGCQCFKSA-N -1 3 398.471 0.613 20 0 GCADHM O=C1CC[C@H]2CN(S(=O)(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CCN12 ZINC000826480372 608242617 /nfs/dbraw/zinc/24/26/17/608242617.db2.gz ZHSKNNNUWBAPTL-VIFPVBQESA-N -1 3 384.368 0.140 20 0 GCADHM O=C1CC[C@H]2CN(S(=O)(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CCN12 ZINC000826480372 608242618 /nfs/dbraw/zinc/24/26/18/608242618.db2.gz ZHSKNNNUWBAPTL-VIFPVBQESA-N -1 3 384.368 0.140 20 0 GCADHM CN1C(=O)NC2(CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000826018215 608244400 /nfs/dbraw/zinc/24/44/00/608244400.db2.gz RJTZAEPHIABRHS-SREVYHEPSA-N -1 3 381.396 0.423 20 0 GCADHM CN1C(=O)NC2(CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000826018215 608244401 /nfs/dbraw/zinc/24/44/01/608244401.db2.gz RJTZAEPHIABRHS-SREVYHEPSA-N -1 3 381.396 0.423 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826453244 608247984 /nfs/dbraw/zinc/24/79/84/608247984.db2.gz CCFBCOSDCRHPNW-SNVBAGLBSA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826453244 608247987 /nfs/dbraw/zinc/24/79/87/608247987.db2.gz CCFBCOSDCRHPNW-SNVBAGLBSA-N -1 3 389.803 0.292 20 0 GCADHM CCOCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825593822 608249312 /nfs/dbraw/zinc/24/93/12/608249312.db2.gz FGUCFBLVHDOVRT-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM CCOCCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825593822 608249315 /nfs/dbraw/zinc/24/93/15/608249315.db2.gz FGUCFBLVHDOVRT-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM C[C@H](O)C(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824678045 608249873 /nfs/dbraw/zinc/24/98/73/608249873.db2.gz KDVOKHBTTQHPND-LBPRGKRZSA-N -1 3 388.428 0.076 20 0 GCADHM C[C@H](O)C(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824678045 608249874 /nfs/dbraw/zinc/24/98/74/608249874.db2.gz KDVOKHBTTQHPND-LBPRGKRZSA-N -1 3 388.428 0.076 20 0 GCADHM C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824052926 608250332 /nfs/dbraw/zinc/25/03/32/608250332.db2.gz SPAURZBRQOHOGT-ZCFIWIBFSA-N -1 3 378.336 0.380 20 0 GCADHM C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824052926 608250333 /nfs/dbraw/zinc/25/03/33/608250333.db2.gz SPAURZBRQOHOGT-ZCFIWIBFSA-N -1 3 378.336 0.380 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OCCn1ccnc1 ZINC000826419734 608253969 /nfs/dbraw/zinc/25/39/69/608253969.db2.gz KIFXHDRDNNVGRL-UHFFFAOYSA-N -1 3 376.398 0.221 20 0 GCADHM O=C(CN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)N1CCOC[C@H]1C1CC1 ZINC000826411267 608254344 /nfs/dbraw/zinc/25/43/44/608254344.db2.gz RNVNTRWRUVHYCU-INIZCTEOSA-N -1 3 398.471 0.021 20 0 GCADHM O=C(CN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)N1CCOC[C@H]1C1CC1 ZINC000826411267 608254346 /nfs/dbraw/zinc/25/43/46/608254346.db2.gz RNVNTRWRUVHYCU-INIZCTEOSA-N -1 3 398.471 0.021 20 0 GCADHM O=C(CN1CCN(c2ncccc2-c2nnn[n-]2)CC1)N1CCOC[C@H]1C1CC1 ZINC000826411412 608254381 /nfs/dbraw/zinc/25/43/81/608254381.db2.gz XGCSTKNKQYCQSN-INIZCTEOSA-N -1 3 398.471 0.021 20 0 GCADHM O=C(CN1CCN(c2ncccc2-c2nn[n-]n2)CC1)N1CCOC[C@H]1C1CC1 ZINC000826411412 608254383 /nfs/dbraw/zinc/25/43/83/608254383.db2.gz XGCSTKNKQYCQSN-INIZCTEOSA-N -1 3 398.471 0.021 20 0 GCADHM O=C(CN1CCN2C(=O)CC[C@H]2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826411377 608259826 /nfs/dbraw/zinc/25/98/26/608259826.db2.gz WIKSYENFSJYOMB-NSHDSACASA-N -1 3 375.820 0.765 20 0 GCADHM O=C(CN1CCN2C(=O)CC[C@H]2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826411377 608259828 /nfs/dbraw/zinc/25/98/28/608259828.db2.gz WIKSYENFSJYOMB-NSHDSACASA-N -1 3 375.820 0.765 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000825759466 608264924 /nfs/dbraw/zinc/26/49/24/608264924.db2.gz INRPYQRELZITMT-UHFFFAOYSA-N -1 3 398.427 0.735 20 0 GCADHM CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000825759466 608264926 /nfs/dbraw/zinc/26/49/26/608264926.db2.gz INRPYQRELZITMT-UHFFFAOYSA-N -1 3 398.427 0.735 20 0 GCADHM C[C@H](NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824488991 608268154 /nfs/dbraw/zinc/26/81/54/608268154.db2.gz HVWCLJZZAOWCHB-NSHDSACASA-N -1 3 398.427 0.654 20 0 GCADHM C[C@H](NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824488991 608268155 /nfs/dbraw/zinc/26/81/55/608268155.db2.gz HVWCLJZZAOWCHB-NSHDSACASA-N -1 3 398.427 0.654 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000825620459 608268811 /nfs/dbraw/zinc/26/88/11/608268811.db2.gz BKDSXIPRYYSPLU-LLVKDONJSA-N -1 3 389.416 0.322 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000825620459 608268813 /nfs/dbraw/zinc/26/88/13/608268813.db2.gz BKDSXIPRYYSPLU-LLVKDONJSA-N -1 3 389.416 0.322 20 0 GCADHM C[C@H](C(N)=O)N(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000824051617 608268967 /nfs/dbraw/zinc/26/89/67/608268967.db2.gz AMWDOHOQBKKBRC-SECBINFHSA-N -1 3 377.474 0.941 20 0 GCADHM C[C@H](C(N)=O)N(C)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000824051617 608268969 /nfs/dbraw/zinc/26/89/69/608268969.db2.gz AMWDOHOQBKKBRC-SECBINFHSA-N -1 3 377.474 0.941 20 0 GCADHM CN(C)S(=O)(=O)N1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000825875449 608272449 /nfs/dbraw/zinc/27/24/49/608272449.db2.gz QAJXHAGMCJNMQI-UHFFFAOYSA-N -1 3 392.489 0.069 20 0 GCADHM CN(C)S(=O)(=O)N1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000825875449 608272451 /nfs/dbraw/zinc/27/24/51/608272451.db2.gz QAJXHAGMCJNMQI-UHFFFAOYSA-N -1 3 392.489 0.069 20 0 GCADHM CC(C)(CCCO)CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824152611 608273443 /nfs/dbraw/zinc/27/34/43/608273443.db2.gz KQGMLYRSVUHDHC-UHFFFAOYSA-N -1 3 388.476 0.892 20 0 GCADHM CC(C)(CCCO)CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824152611 608273444 /nfs/dbraw/zinc/27/34/44/608273444.db2.gz KQGMLYRSVUHDHC-UHFFFAOYSA-N -1 3 388.476 0.892 20 0 GCADHM CC(C)(CCCO)CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000824152600 608273681 /nfs/dbraw/zinc/27/36/81/608273681.db2.gz JQWWADXXJQQYFX-UHFFFAOYSA-N -1 3 388.476 0.892 20 0 GCADHM CC(C)(CCCO)CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000824152600 608273683 /nfs/dbraw/zinc/27/36/83/608273683.db2.gz JQWWADXXJQQYFX-UHFFFAOYSA-N -1 3 388.476 0.892 20 0 GCADHM Cc1nnc(CN2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CC2)n1C ZINC000826335457 608285256 /nfs/dbraw/zinc/28/52/56/608285256.db2.gz NXNVYKKHCIBSTJ-UHFFFAOYSA-N -1 3 394.487 0.900 20 0 GCADHM Cc1nnc(CN2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CC2)n1C ZINC000826335457 608285259 /nfs/dbraw/zinc/28/52/59/608285259.db2.gz NXNVYKKHCIBSTJ-UHFFFAOYSA-N -1 3 394.487 0.900 20 0 GCADHM COCCN(Cc1nnc(C)s1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826159766 608290014 /nfs/dbraw/zinc/29/00/14/608290014.db2.gz QRTOZSSEODOTDJ-UHFFFAOYSA-N -1 3 395.470 0.864 20 0 GCADHM COCCN(Cc1nnc(C)s1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826159766 608290015 /nfs/dbraw/zinc/29/00/15/608290015.db2.gz QRTOZSSEODOTDJ-UHFFFAOYSA-N -1 3 395.470 0.864 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(c3nccn4cnnc34)[C@H](C)C2)n1 ZINC000826274763 608298299 /nfs/dbraw/zinc/29/82/99/608298299.db2.gz DGUPGOUEXDFLSQ-GFCCVEGCSA-N -1 3 377.416 0.723 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(c3nccn4cnnc34)[C@H](C)C2)n1 ZINC000826274763 608298300 /nfs/dbraw/zinc/29/83/00/608298300.db2.gz DGUPGOUEXDFLSQ-GFCCVEGCSA-N -1 3 377.416 0.723 20 0 GCADHM Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)o1 ZINC000826292652 608299861 /nfs/dbraw/zinc/29/98/61/608299861.db2.gz GAJWBEPCVKBAOO-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)o1 ZINC000826292652 608299862 /nfs/dbraw/zinc/29/98/62/608299862.db2.gz GAJWBEPCVKBAOO-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000824148442 608300586 /nfs/dbraw/zinc/30/05/86/608300586.db2.gz VEYDYSOKWKBSTM-LLVKDONJSA-N -1 3 396.477 0.708 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000824148442 608300588 /nfs/dbraw/zinc/30/05/88/608300588.db2.gz VEYDYSOKWKBSTM-LLVKDONJSA-N -1 3 396.477 0.708 20 0 GCADHM CS(=O)(=O)Nc1ccc(OCCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000826224010 608302639 /nfs/dbraw/zinc/30/26/39/608302639.db2.gz KJBLNSZYCDWNDQ-UHFFFAOYSA-N -1 3 391.413 0.375 20 0 GCADHM CS(=O)(=O)Nc1ccc(OCCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000826224010 608302641 /nfs/dbraw/zinc/30/26/41/608302641.db2.gz KJBLNSZYCDWNDQ-UHFFFAOYSA-N -1 3 391.413 0.375 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN([C@H]2CCOC2)CC1 ZINC000826494485 608302895 /nfs/dbraw/zinc/30/28/95/608302895.db2.gz DSLIDUMBTSWHGU-LBPRGKRZSA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN([C@H]2CCOC2)CC1 ZINC000826494485 608302897 /nfs/dbraw/zinc/30/28/97/608302897.db2.gz DSLIDUMBTSWHGU-LBPRGKRZSA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NC[C@H]1COC2(CCCC2)O1 ZINC000826486672 608304164 /nfs/dbraw/zinc/30/41/64/608304164.db2.gz LQUJYAJAXBVXSX-AWEZNQCLSA-N -1 3 379.442 0.972 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NC[C@H]1COC2(CCCC2)O1 ZINC000826486672 608304166 /nfs/dbraw/zinc/30/41/66/608304166.db2.gz LQUJYAJAXBVXSX-AWEZNQCLSA-N -1 3 379.442 0.972 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NC[C@@H]1COC2(CCCC2)O1 ZINC000826486673 608304250 /nfs/dbraw/zinc/30/42/50/608304250.db2.gz LQUJYAJAXBVXSX-CQSZACIVSA-N -1 3 379.442 0.972 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NC[C@@H]1COC2(CCCC2)O1 ZINC000826486673 608304251 /nfs/dbraw/zinc/30/42/51/608304251.db2.gz LQUJYAJAXBVXSX-CQSZACIVSA-N -1 3 379.442 0.972 20 0 GCADHM Cc1nc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nnn[n-]2)no1 ZINC000826323419 608309930 /nfs/dbraw/zinc/30/99/30/608309930.db2.gz DBGRDDLETKBKAC-UHFFFAOYSA-N -1 3 394.399 0.689 20 0 GCADHM Cc1nc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nn[n-]n2)no1 ZINC000826323419 608309932 /nfs/dbraw/zinc/30/99/32/608309932.db2.gz DBGRDDLETKBKAC-UHFFFAOYSA-N -1 3 394.399 0.689 20 0 GCADHM CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826227995 608314875 /nfs/dbraw/zinc/31/48/75/608314875.db2.gz AUPZKFWTDVEQMK-NSHDSACASA-N -1 3 375.414 0.479 20 0 GCADHM CSCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826227995 608314877 /nfs/dbraw/zinc/31/48/77/608314877.db2.gz AUPZKFWTDVEQMK-NSHDSACASA-N -1 3 375.414 0.479 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@](C)(O)C2)cc1-c1nnn[n-]1 ZINC000824324542 608315649 /nfs/dbraw/zinc/31/56/49/608315649.db2.gz OYCUDQIYELSOTG-SFHVURJKSA-N -1 3 388.428 0.966 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@](C)(O)C2)cc1-c1nn[n-]n1 ZINC000824324542 608315651 /nfs/dbraw/zinc/31/56/51/608315651.db2.gz OYCUDQIYELSOTG-SFHVURJKSA-N -1 3 388.428 0.966 20 0 GCADHM c1cc(-c2nnn[n-]2)cc(-c2nnc(CN3CCN([C@@H]4CCOC4)CC3)o2)c1 ZINC000826512841 608320330 /nfs/dbraw/zinc/32/03/30/608320330.db2.gz QPIPQTNUUGLXTQ-OAHLLOKOSA-N -1 3 382.428 0.823 20 0 GCADHM c1cc(-c2nn[n-]n2)cc(-c2nnc(CN3CCN([C@@H]4CCOC4)CC3)o2)c1 ZINC000826512841 608320332 /nfs/dbraw/zinc/32/03/32/608320332.db2.gz QPIPQTNUUGLXTQ-OAHLLOKOSA-N -1 3 382.428 0.823 20 0 GCADHM NC(=O)[C@H]1CSCCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826391027 608322382 /nfs/dbraw/zinc/32/23/82/608322382.db2.gz UPNHAODBUYYYSY-LLVKDONJSA-N -1 3 381.849 0.361 20 0 GCADHM NC(=O)[C@H]1CSCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826391027 608322384 /nfs/dbraw/zinc/32/23/84/608322384.db2.gz UPNHAODBUYYYSY-LLVKDONJSA-N -1 3 381.849 0.361 20 0 GCADHM O=C1NCCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000826482314 608323204 /nfs/dbraw/zinc/32/32/04/608323204.db2.gz AFIPYPVLAWYNMK-AWEZNQCLSA-N -1 3 380.408 0.856 20 0 GCADHM CC(=O)NCC1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000823994658 608327892 /nfs/dbraw/zinc/32/78/92/608327892.db2.gz MBNFRPGJFWQXST-UHFFFAOYSA-N -1 3 396.448 0.684 20 0 GCADHM CC(=O)NCC1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000823994658 608327894 /nfs/dbraw/zinc/32/78/94/608327894.db2.gz MBNFRPGJFWQXST-UHFFFAOYSA-N -1 3 396.448 0.684 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCN(CC2CC2)CC1 ZINC000826485527 608329171 /nfs/dbraw/zinc/32/91/71/608329171.db2.gz ULLQGVGNSBLVHA-UHFFFAOYSA-N -1 3 380.449 0.863 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@@H]1COC2(CCCC2)O1 ZINC000826438037 608330707 /nfs/dbraw/zinc/33/07/07/608330707.db2.gz KDIYOJUTDPOAHN-GFCCVEGCSA-N -1 3 388.432 0.659 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@@H]1COC2(CCCC2)O1 ZINC000826438037 608330708 /nfs/dbraw/zinc/33/07/08/608330708.db2.gz KDIYOJUTDPOAHN-GFCCVEGCSA-N -1 3 388.432 0.659 20 0 GCADHM CC(=O)N1CCC(CNS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000823975287 608330762 /nfs/dbraw/zinc/33/07/62/608330762.db2.gz WGSYFFCAHWCJGJ-UHFFFAOYSA-N -1 3 396.448 0.684 20 0 GCADHM CC(=O)N1CCC(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000823975287 608330763 /nfs/dbraw/zinc/33/07/63/608330763.db2.gz WGSYFFCAHWCJGJ-UHFFFAOYSA-N -1 3 396.448 0.684 20 0 GCADHM NC(=O)CC[C@H]1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826390480 608332264 /nfs/dbraw/zinc/33/22/64/608332264.db2.gz BIPFUGLQUGGCBK-LLVKDONJSA-N -1 3 396.448 0.813 20 0 GCADHM NC(=O)CC[C@H]1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826390480 608332266 /nfs/dbraw/zinc/33/22/66/608332266.db2.gz BIPFUGLQUGGCBK-LLVKDONJSA-N -1 3 396.448 0.813 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824860667 608332817 /nfs/dbraw/zinc/33/28/17/608332817.db2.gz XCIAJOOEXKNSTQ-MTROIWHKSA-N -1 3 387.462 0.677 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824860667 608332819 /nfs/dbraw/zinc/33/28/19/608332819.db2.gz XCIAJOOEXKNSTQ-MTROIWHKSA-N -1 3 387.462 0.677 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)n1C ZINC000825883703 608333859 /nfs/dbraw/zinc/33/38/59/608333859.db2.gz KZABAJQRENQWKR-UHFFFAOYSA-N -1 3 394.436 0.425 20 0 GCADHM CCC[C@@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)OC ZINC000825242062 608333878 /nfs/dbraw/zinc/33/38/78/608333878.db2.gz HMIJPEZLQSPGPC-CYBMUJFWSA-N -1 3 384.400 0.706 20 0 GCADHM CCC[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)OC ZINC000825242062 608333879 /nfs/dbraw/zinc/33/38/79/608333879.db2.gz HMIJPEZLQSPGPC-CYBMUJFWSA-N -1 3 384.400 0.706 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)NCCOC[C@@H]1CCCO1 ZINC000826485708 608333919 /nfs/dbraw/zinc/33/39/19/608333919.db2.gz AXLGSRUAIJZOCA-ZDUSSCGKSA-N -1 3 385.421 0.621 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCCOC[C@@H]1CCCO1 ZINC000826485708 608333921 /nfs/dbraw/zinc/33/39/21/608333921.db2.gz AXLGSRUAIJZOCA-ZDUSSCGKSA-N -1 3 385.421 0.621 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N[C@@H]1CCc2ncnn2C1 ZINC000826485879 608333925 /nfs/dbraw/zinc/33/39/25/608333925.db2.gz GQFKNYKPXYSNPA-LLVKDONJSA-N -1 3 378.393 0.032 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CCc2ncnn2C1 ZINC000826485879 608333927 /nfs/dbraw/zinc/33/39/27/608333927.db2.gz GQFKNYKPXYSNPA-LLVKDONJSA-N -1 3 378.393 0.032 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000825122174 608335726 /nfs/dbraw/zinc/33/57/26/608335726.db2.gz XSYLUIIDLKYCEC-AWEZNQCLSA-N -1 3 398.464 0.224 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824440445 608337589 /nfs/dbraw/zinc/33/75/89/608337589.db2.gz CFDWEMMQAQVPLE-MFKMUULPSA-N -1 3 385.421 0.619 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824440445 608337590 /nfs/dbraw/zinc/33/75/90/608337590.db2.gz CFDWEMMQAQVPLE-MFKMUULPSA-N -1 3 385.421 0.619 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CN1C1CC1 ZINC000826478470 608338185 /nfs/dbraw/zinc/33/81/85/608338185.db2.gz CBCTXYNTCSRGKD-LLVKDONJSA-N -1 3 380.405 0.189 20 0 GCADHM COCCN(C(=O)Nc1cccc(-c2nnn[n-]2)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000826157503 608338829 /nfs/dbraw/zinc/33/88/29/608338829.db2.gz YIRRBXVVOWJMQN-GFCCVEGCSA-N -1 3 394.457 0.843 20 0 GCADHM COCCN(C(=O)Nc1cccc(-c2nn[n-]n2)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000826157503 608338830 /nfs/dbraw/zinc/33/88/30/608338830.db2.gz YIRRBXVVOWJMQN-GFCCVEGCSA-N -1 3 394.457 0.843 20 0 GCADHM CCC(=O)N1CC[C@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000825034732 608338954 /nfs/dbraw/zinc/33/89/54/608338954.db2.gz ODILCGMYRPOBAH-LBPRGKRZSA-N -1 3 382.421 0.436 20 0 GCADHM CCC(=O)N1CC[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000825034732 608338955 /nfs/dbraw/zinc/33/89/55/608338955.db2.gz ODILCGMYRPOBAH-LBPRGKRZSA-N -1 3 382.421 0.436 20 0 GCADHM NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000826393357 608341283 /nfs/dbraw/zinc/34/12/83/608341283.db2.gz ONMMXJIJMDVVFB-UHFFFAOYSA-N -1 3 383.343 0.360 20 0 GCADHM NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826393357 608341285 /nfs/dbraw/zinc/34/12/85/608341285.db2.gz ONMMXJIJMDVVFB-UHFFFAOYSA-N -1 3 383.343 0.360 20 0 GCADHM O=S(=O)(N[C@@H]1CCCCC12OCCO2)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826488295 608341432 /nfs/dbraw/zinc/34/14/32/608341432.db2.gz MJWAWCBZLXDENS-CYBMUJFWSA-N -1 3 383.405 0.970 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826308846 608343074 /nfs/dbraw/zinc/34/30/74/608343074.db2.gz SDQKBGZLCJEWSB-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826308846 608343075 /nfs/dbraw/zinc/34/30/75/608343075.db2.gz SDQKBGZLCJEWSB-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@H]1CCc2nccn2C1 ZINC000826486098 608343122 /nfs/dbraw/zinc/34/31/22/608343122.db2.gz OYPGXLLBJGRLSK-LBPRGKRZSA-N -1 3 377.405 0.637 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)Cc3cc(-c4nnn[n-]4)ccc3F)CCN12 ZINC000826483544 608343483 /nfs/dbraw/zinc/34/34/83/608343483.db2.gz REIMDKUULIELFR-LBPRGKRZSA-N -1 3 396.404 0.362 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)Cc3cc(-c4nn[n-]n4)ccc3F)CCN12 ZINC000826483544 608343484 /nfs/dbraw/zinc/34/34/84/608343484.db2.gz REIMDKUULIELFR-LBPRGKRZSA-N -1 3 396.404 0.362 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000826172132 608347436 /nfs/dbraw/zinc/34/74/36/608347436.db2.gz OOKQKZDVZLNFPL-UHFFFAOYSA-N -1 3 396.367 0.062 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000826172132 608347438 /nfs/dbraw/zinc/34/74/38/608347438.db2.gz OOKQKZDVZLNFPL-UHFFFAOYSA-N -1 3 396.367 0.062 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@@H](CO)NC(=O)c1ccccc1 ZINC000826170807 608349485 /nfs/dbraw/zinc/34/94/85/608349485.db2.gz PVXPRPFPUYROPB-OAHLLOKOSA-N -1 3 397.391 0.709 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@@H](CO)NC(=O)c1ccccc1 ZINC000826170807 608349486 /nfs/dbraw/zinc/34/94/86/608349486.db2.gz PVXPRPFPUYROPB-OAHLLOKOSA-N -1 3 397.391 0.709 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCc3nccn3C2)n1 ZINC000824148535 608352730 /nfs/dbraw/zinc/35/27/30/608352730.db2.gz YVJWXCKUNUTZIH-SNVBAGLBSA-N -1 3 398.431 0.084 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)n1 ZINC000824148224 608357754 /nfs/dbraw/zinc/35/77/54/608357754.db2.gz PHTJCSSXLAPEPA-NSHDSACASA-N -1 3 398.431 0.674 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000826277063 608360075 /nfs/dbraw/zinc/36/00/75/608360075.db2.gz HYARIXIGKUNLBW-CYBMUJFWSA-N -1 3 386.412 0.725 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000826277063 608360077 /nfs/dbraw/zinc/36/00/77/608360077.db2.gz HYARIXIGKUNLBW-CYBMUJFWSA-N -1 3 386.412 0.725 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826277359 608360285 /nfs/dbraw/zinc/36/02/85/608360285.db2.gz RTODZOKKRQKIJK-CVEARBPZSA-N -1 3 399.455 0.171 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1ccncc1C ZINC000826185928 608360300 /nfs/dbraw/zinc/36/03/00/608360300.db2.gz YDFBLMHYHLVGCO-UHFFFAOYSA-N -1 3 381.396 0.876 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1ccncc1C ZINC000826185928 608360302 /nfs/dbraw/zinc/36/03/02/608360302.db2.gz YDFBLMHYHLVGCO-UHFFFAOYSA-N -1 3 381.396 0.876 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC(C2OCCO2)CC1 ZINC000826453614 608360550 /nfs/dbraw/zinc/36/05/50/608360550.db2.gz ROIFSVRYPMFEHW-UHFFFAOYSA-N -1 3 390.375 0.556 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC(C2OCCO2)CC1 ZINC000826453614 608360551 /nfs/dbraw/zinc/36/05/51/608360551.db2.gz ROIFSVRYPMFEHW-UHFFFAOYSA-N -1 3 390.375 0.556 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1cncnc1N ZINC000824319439 608360735 /nfs/dbraw/zinc/36/07/35/608360735.db2.gz QFDXLOIPFBHJIY-UHFFFAOYSA-N -1 3 397.399 0.281 20 0 GCADHM CC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)[C@H](C)C1 ZINC000823972400 608361679 /nfs/dbraw/zinc/36/16/79/608361679.db2.gz ADNNLOQZYVGFBC-YGRLFVJLSA-N -1 3 385.428 0.487 20 0 GCADHM CC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)[C@H](C)C1 ZINC000823972400 608361681 /nfs/dbraw/zinc/36/16/81/608361681.db2.gz ADNNLOQZYVGFBC-YGRLFVJLSA-N -1 3 385.428 0.487 20 0 GCADHM COCCCOCCN(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826156861 608361791 /nfs/dbraw/zinc/36/17/91/608361791.db2.gz XEKNAJKNJDPPJS-UHFFFAOYSA-N -1 3 376.417 0.108 20 0 GCADHM COCCCOCCN(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826156861 608361792 /nfs/dbraw/zinc/36/17/92/608361792.db2.gz XEKNAJKNJDPPJS-UHFFFAOYSA-N -1 3 376.417 0.108 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCCC2(C1)OCCO2 ZINC000826453057 608361804 /nfs/dbraw/zinc/36/18/04/608361804.db2.gz UCWINVLWZBRKAP-UHFFFAOYSA-N -1 3 376.348 0.310 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCCC2(C1)OCCO2 ZINC000826453057 608361806 /nfs/dbraw/zinc/36/18/06/608361806.db2.gz UCWINVLWZBRKAP-UHFFFAOYSA-N -1 3 376.348 0.310 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCCC2(C1)OCCO2 ZINC000826453351 608361976 /nfs/dbraw/zinc/36/19/76/608361976.db2.gz IGUUJWSCUILFOZ-UHFFFAOYSA-N -1 3 376.348 0.310 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCCC2(C1)OCCO2 ZINC000826453351 608361979 /nfs/dbraw/zinc/36/19/79/608361979.db2.gz IGUUJWSCUILFOZ-UHFFFAOYSA-N -1 3 376.348 0.310 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)C[C@H]1O ZINC000825200382 608362595 /nfs/dbraw/zinc/36/25/95/608362595.db2.gz AXIJFDUVTRADTC-SMDDNHRTSA-N -1 3 388.428 0.822 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)C[C@H]1O ZINC000825200382 608362597 /nfs/dbraw/zinc/36/25/97/608362597.db2.gz AXIJFDUVTRADTC-SMDDNHRTSA-N -1 3 388.428 0.822 20 0 GCADHM Cc1c(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cccc1-c1nnn[n-]1 ZINC000826240897 608362833 /nfs/dbraw/zinc/36/28/33/608362833.db2.gz KPIVIHSRFSNODO-LRDDRELGSA-N -1 3 399.455 0.293 20 0 GCADHM Cc1c(NC(=O)C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC000826240897 608362835 /nfs/dbraw/zinc/36/28/35/608362835.db2.gz KPIVIHSRFSNODO-LRDDRELGSA-N -1 3 399.455 0.293 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000825202843 608363208 /nfs/dbraw/zinc/36/32/08/608363208.db2.gz LNCRPRMFJXWYFV-XJKSGUPXSA-N -1 3 399.455 0.374 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000825202843 608363210 /nfs/dbraw/zinc/36/32/10/608363210.db2.gz LNCRPRMFJXWYFV-XJKSGUPXSA-N -1 3 399.455 0.374 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCO[C@H](CNc2cccnn2)C1 ZINC000826169944 608367416 /nfs/dbraw/zinc/36/74/16/608367416.db2.gz KEKZALYSGOQQHT-OAHLLOKOSA-N -1 3 382.428 0.978 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCO[C@H](CNc2cccnn2)C1 ZINC000826169944 608367418 /nfs/dbraw/zinc/36/74/18/608367418.db2.gz KEKZALYSGOQQHT-OAHLLOKOSA-N -1 3 382.428 0.978 20 0 GCADHM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825395871 608383959 /nfs/dbraw/zinc/38/39/59/608383959.db2.gz XHXDBGGJGXFDTI-GFCCVEGCSA-N -1 3 396.448 0.131 20 0 GCADHM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825395871 608383961 /nfs/dbraw/zinc/38/39/61/608383961.db2.gz XHXDBGGJGXFDTI-GFCCVEGCSA-N -1 3 396.448 0.131 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825465624 608386621 /nfs/dbraw/zinc/38/66/21/608386621.db2.gz OOFSKZASKCCBIM-INIZCTEOSA-N -1 3 389.435 0.375 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NC[C@H](O)c1c(F)cccc1F ZINC000826413700 608387323 /nfs/dbraw/zinc/38/73/23/608387323.db2.gz OCOLTHAGIQFBBH-LBPRGKRZSA-N -1 3 375.339 0.802 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NC[C@H](O)c1c(F)cccc1F ZINC000826413700 608387326 /nfs/dbraw/zinc/38/73/26/608387326.db2.gz OCOLTHAGIQFBBH-LBPRGKRZSA-N -1 3 375.339 0.802 20 0 GCADHM NS(=O)(=O)Cc1cccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826394311 608387484 /nfs/dbraw/zinc/38/74/84/608387484.db2.gz FOXLLXCEHXLZBJ-UHFFFAOYSA-N -1 3 388.413 0.101 20 0 GCADHM NS(=O)(=O)Cc1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826394311 608387487 /nfs/dbraw/zinc/38/74/87/608387487.db2.gz FOXLLXCEHXLZBJ-UHFFFAOYSA-N -1 3 388.413 0.101 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825465162 608388109 /nfs/dbraw/zinc/38/81/09/608388109.db2.gz IYHWIZFISCPPJU-KRWDZBQOSA-N -1 3 385.472 0.626 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825465162 608388110 /nfs/dbraw/zinc/38/81/10/608388110.db2.gz IYHWIZFISCPPJU-KRWDZBQOSA-N -1 3 385.472 0.626 20 0 GCADHM COC(=O)[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc(-c2nnn[n-]2)c1 ZINC000826111901 608390319 /nfs/dbraw/zinc/39/03/19/608390319.db2.gz OBDAKSPMPSHOJG-SOUVJXGZSA-N -1 3 388.428 0.306 20 0 GCADHM COC(=O)[C@H](NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc(-c2nn[n-]n2)c1 ZINC000826111901 608390322 /nfs/dbraw/zinc/39/03/22/608390322.db2.gz OBDAKSPMPSHOJG-SOUVJXGZSA-N -1 3 388.428 0.306 20 0 GCADHM C[C@H]1CCOCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824966875 608400450 /nfs/dbraw/zinc/40/04/50/608400450.db2.gz GEBSBRZGJCJBGY-SGTLLEGYSA-N -1 3 385.428 0.702 20 0 GCADHM C[C@H]1CCOCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824966875 608400452 /nfs/dbraw/zinc/40/04/52/608400452.db2.gz GEBSBRZGJCJBGY-SGTLLEGYSA-N -1 3 385.428 0.702 20 0 GCADHM CC(C)(C)S(=O)(=O)CC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000824124737 608406104 /nfs/dbraw/zinc/40/61/04/608406104.db2.gz YDEAXJQMLBTATE-UHFFFAOYSA-N -1 3 393.473 0.124 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)C2)n[nH]1 ZINC000826392877 608407041 /nfs/dbraw/zinc/40/70/41/608407041.db2.gz QLIHLRMGRIXGEX-ZDUSSCGKSA-N -1 3 395.427 0.778 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)C2)n[nH]1 ZINC000826392877 608407043 /nfs/dbraw/zinc/40/70/43/608407043.db2.gz QLIHLRMGRIXGEX-ZDUSSCGKSA-N -1 3 395.427 0.778 20 0 GCADHM CN1CCO[C@H](CNC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826044738 608407416 /nfs/dbraw/zinc/40/74/16/608407416.db2.gz KDLNWAUBTRZOML-QGZVFWFLSA-N -1 3 383.456 0.996 20 0 GCADHM CN(C)C(=O)c1cc(S(=O)(=O)Oc2cccc(-c3nnn[n-]3)c2)cn1C ZINC000825845820 608418521 /nfs/dbraw/zinc/41/85/21/608418521.db2.gz MUFOJANQWSUVRK-UHFFFAOYSA-N -1 3 376.398 0.675 20 0 GCADHM CN(C)C(=O)c1cc(S(=O)(=O)Oc2cccc(-c3nn[n-]n3)c2)cn1C ZINC000825845820 608418523 /nfs/dbraw/zinc/41/85/23/608418523.db2.gz MUFOJANQWSUVRK-UHFFFAOYSA-N -1 3 376.398 0.675 20 0 GCADHM CCOC(=O)c1cnc(C)c(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000825565075 608421417 /nfs/dbraw/zinc/42/14/17/608421417.db2.gz LHTKHTZAHFZGLM-UHFFFAOYSA-N -1 3 396.411 0.984 20 0 GCADHM CCOC(=O)c1cnc(C)c(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000825565075 608421418 /nfs/dbraw/zinc/42/14/18/608421418.db2.gz LHTKHTZAHFZGLM-UHFFFAOYSA-N -1 3 396.411 0.984 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C(C)(C)C1 ZINC000823980273 608424446 /nfs/dbraw/zinc/42/44/46/608424446.db2.gz ACEBCQVOSWMADC-UHFFFAOYSA-N -1 3 382.421 0.637 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C(C)(C)C1 ZINC000823980273 608424447 /nfs/dbraw/zinc/42/44/47/608424447.db2.gz ACEBCQVOSWMADC-UHFFFAOYSA-N -1 3 382.421 0.637 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000824745330 608428907 /nfs/dbraw/zinc/42/89/07/608428907.db2.gz RAEKGJVRTLWTPY-YWPYICTPSA-N -1 3 388.428 0.386 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000824745330 608428909 /nfs/dbraw/zinc/42/89/09/608428909.db2.gz RAEKGJVRTLWTPY-YWPYICTPSA-N -1 3 388.428 0.386 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826409981 608440516 /nfs/dbraw/zinc/44/05/16/608440516.db2.gz WVMCAINRIZPUNB-UHFFFAOYSA-N -1 3 388.359 0.914 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826409981 608440518 /nfs/dbraw/zinc/44/05/18/608440518.db2.gz WVMCAINRIZPUNB-UHFFFAOYSA-N -1 3 388.359 0.914 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCSC[C@H]1CCO ZINC000826485713 608442633 /nfs/dbraw/zinc/44/26/33/608442633.db2.gz BBNWEEHTHJVFSA-GFCCVEGCSA-N -1 3 387.462 0.635 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCSC[C@H]1CCO ZINC000826485713 608442635 /nfs/dbraw/zinc/44/26/35/608442635.db2.gz BBNWEEHTHJVFSA-GFCCVEGCSA-N -1 3 387.462 0.635 20 0 GCADHM CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@@H]1N(C)C ZINC000826227949 608443371 /nfs/dbraw/zinc/44/33/71/608443371.db2.gz ZWPPWDCHLAPZJP-RYUDHWBXSA-N -1 3 386.478 0.672 20 0 GCADHM CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@H]1N(C)C ZINC000826227947 608443698 /nfs/dbraw/zinc/44/36/98/608443698.db2.gz ZWPPWDCHLAPZJP-NEPJUHHUSA-N -1 3 386.478 0.672 20 0 GCADHM CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1N(C)C ZINC000826227654 608443843 /nfs/dbraw/zinc/44/38/43/608443843.db2.gz VFCDVFOCFZGHKO-QWHCGFSZSA-N -1 3 386.478 0.672 20 0 GCADHM CCOCCS(=O)(=O)NCC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000825604284 608450917 /nfs/dbraw/zinc/45/09/17/608450917.db2.gz HEZILVWCFHCZTF-UHFFFAOYSA-N -1 3 387.393 0.005 20 0 GCADHM NS(=O)(=O)c1ccc(CCOC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826394402 608459154 /nfs/dbraw/zinc/45/91/54/608459154.db2.gz IVJHVJXQBDRCOU-UHFFFAOYSA-N -1 3 387.421 0.843 20 0 GCADHM NS(=O)(=O)c1ccc(CCOC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826394402 608459155 /nfs/dbraw/zinc/45/91/55/608459155.db2.gz IVJHVJXQBDRCOU-UHFFFAOYSA-N -1 3 387.421 0.843 20 0 GCADHM COc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(F)cc1N ZINC000826177504 608459786 /nfs/dbraw/zinc/45/97/86/608459786.db2.gz LDYAZGZBBKWOCN-CQSZACIVSA-N -1 3 386.343 0.980 20 0 GCADHM COc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(F)cc1N ZINC000826177504 608459788 /nfs/dbraw/zinc/45/97/88/608459788.db2.gz LDYAZGZBBKWOCN-CQSZACIVSA-N -1 3 386.343 0.980 20 0 GCADHM COC(=O)[C@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117886 608461539 /nfs/dbraw/zinc/46/15/39/608461539.db2.gz UOQXVLMYXSJLOF-CYBMUJFWSA-N -1 3 395.335 0.686 20 0 GCADHM COC(=O)[C@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117886 608461541 /nfs/dbraw/zinc/46/15/41/608461541.db2.gz UOQXVLMYXSJLOF-CYBMUJFWSA-N -1 3 395.335 0.686 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCC(=O)NC1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389421 608468072 /nfs/dbraw/zinc/46/80/72/608468072.db2.gz XZFVQXQHJKFZEQ-INIZCTEOSA-N -1 3 386.412 0.775 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCC(=O)NC1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389421 608468074 /nfs/dbraw/zinc/46/80/74/608468074.db2.gz XZFVQXQHJKFZEQ-INIZCTEOSA-N -1 3 386.412 0.775 20 0 GCADHM COC(=O)[C@H](OC(=O)CS(=O)(=O)C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000826118254 608470947 /nfs/dbraw/zinc/47/09/47/608470947.db2.gz YYOAGFWFWNDSHI-CYBMUJFWSA-N -1 3 396.425 0.837 20 0 GCADHM COC(=O)[C@H](OC(=O)CS(=O)(=O)C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000826118254 608470948 /nfs/dbraw/zinc/47/09/48/608470948.db2.gz YYOAGFWFWNDSHI-CYBMUJFWSA-N -1 3 396.425 0.837 20 0 GCADHM CC(C)C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824237719 608471941 /nfs/dbraw/zinc/47/19/41/608471941.db2.gz UVDJZQGBBZMQJG-WCQYABFASA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824237719 608471942 /nfs/dbraw/zinc/47/19/42/608471942.db2.gz UVDJZQGBBZMQJG-WCQYABFASA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC[C@H]1C ZINC000824633397 608474223 /nfs/dbraw/zinc/47/42/23/608474223.db2.gz MIAVIXUGSFECCZ-VXGBXAGGSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC[C@H]1C ZINC000824633397 608474224 /nfs/dbraw/zinc/47/42/24/608474224.db2.gz MIAVIXUGSFECCZ-VXGBXAGGSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@]1(C)CC(=O)N(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1=O ZINC000825164899 608476576 /nfs/dbraw/zinc/47/65/76/608476576.db2.gz LXVXOFSJFOXQLO-GOSISDBHSA-N -1 3 384.444 0.516 20 0 GCADHM CC[C@]1(C)CC(=O)N(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1=O ZINC000825164899 608476579 /nfs/dbraw/zinc/47/65/79/608476579.db2.gz 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COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000826186049 608479444 /nfs/dbraw/zinc/47/94/44/608479444.db2.gz BSNXOHCZBLVFTJ-RISCZKNCSA-N -1 3 389.416 0.633 20 0 GCADHM CN(C)S(=O)(=O)CCC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825870349 608485105 /nfs/dbraw/zinc/48/51/05/608485105.db2.gz IBUFRGCUDHRWIR-UHFFFAOYSA-N -1 3 390.469 0.764 20 0 GCADHM CN(C)S(=O)(=O)CCC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825870349 608485106 /nfs/dbraw/zinc/48/51/06/608485106.db2.gz IBUFRGCUDHRWIR-UHFFFAOYSA-N -1 3 390.469 0.764 20 0 GCADHM CS(=O)(=O)c1csc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)c1 ZINC000826223942 608494458 /nfs/dbraw/zinc/49/44/58/608494458.db2.gz HVWKHBZGGDKVQE-UHFFFAOYSA-N -1 3 397.467 0.886 20 0 GCADHM CS(=O)(=O)c1csc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)c1 ZINC000826223942 608494459 /nfs/dbraw/zinc/49/44/59/608494459.db2.gz HVWKHBZGGDKVQE-UHFFFAOYSA-N -1 3 397.467 0.886 20 0 GCADHM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825394831 608498132 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CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@H](C)S(N)(=O)=O ZINC000824319465 608656802 /nfs/dbraw/zinc/65/68/02/608656802.db2.gz RLRPMTSYPHGTEH-VIFPVBQESA-N -1 3 383.434 0.452 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](C)S(N)(=O)=O ZINC000824319465 608656805 /nfs/dbraw/zinc/65/68/05/608656805.db2.gz RLRPMTSYPHGTEH-VIFPVBQESA-N -1 3 383.434 0.452 20 0 GCADHM CNS(=O)(=O)C1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000826084001 608695241 /nfs/dbraw/zinc/69/52/41/608695241.db2.gz TVLBFKUGUVZZGN-UHFFFAOYSA-N -1 3 376.446 0.028 20 0 GCADHM CNS(=O)(=O)C1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000826084001 608695242 /nfs/dbraw/zinc/69/52/42/608695242.db2.gz TVLBFKUGUVZZGN-UHFFFAOYSA-N -1 3 376.446 0.028 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(Cc1cnc2ccc(-c3nnn[n-]3)cn12)C1CC1 ZINC000824450056 608700969 /nfs/dbraw/zinc/70/09/69/608700969.db2.gz RIUBBFAHRQXHRB-LLVKDONJSA-N -1 3 375.458 0.912 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(Cc1cnc2ccc(-c3nn[n-]n3)cn12)C1CC1 ZINC000824450056 608700971 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O=C(COC(=O)C1(N2CCOCC2)CCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826414855 608766961 /nfs/dbraw/zinc/76/69/61/608766961.db2.gz KGOFEZXEXJYBGT-UHFFFAOYSA-N -1 3 386.412 0.603 20 0 GCADHM O=C(COC(=O)C1(N2CCOCC2)CCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826414855 608766966 /nfs/dbraw/zinc/76/69/66/608766966.db2.gz KGOFEZXEXJYBGT-UHFFFAOYSA-N -1 3 386.412 0.603 20 0 GCADHM O=C(COC(=O)C1(N2CCOCC2)CCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826415238 608767075 /nfs/dbraw/zinc/76/70/75/608767075.db2.gz XRXGBJDXVSZLJX-UHFFFAOYSA-N -1 3 386.412 0.603 20 0 GCADHM O=C(COC(=O)C1(N2CCOCC2)CCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826415238 608767077 /nfs/dbraw/zinc/76/70/77/608767077.db2.gz XRXGBJDXVSZLJX-UHFFFAOYSA-N -1 3 386.412 0.603 20 0 GCADHM NS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826395206 608767219 /nfs/dbraw/zinc/76/72/19/608767219.db2.gz RMVWZSZNZNVONW-UHFFFAOYSA-N -1 3 393.356 0.716 20 0 GCADHM O=S(=O)(c1cccc(F)c1)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826495417 608768203 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COC(=O)C1CCC(NC(=O)c2cc(-c3nnn[n-]3)cn2C)(C(=O)OC)CC1 ZINC000826128449 608826192 /nfs/dbraw/zinc/82/61/92/608826192.db2.gz CWKQGVJEMQFINB-UHFFFAOYSA-N -1 3 390.400 0.210 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2cc(-c3nn[n-]n3)cn2C)(C(=O)OC)CC1 ZINC000826128449 608826195 /nfs/dbraw/zinc/82/61/95/608826195.db2.gz CWKQGVJEMQFINB-UHFFFAOYSA-N -1 3 390.400 0.210 20 0 GCADHM NC(=O)[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826389769 608826201 /nfs/dbraw/zinc/82/62/01/608826201.db2.gz HXFSSSOFLGQWRZ-CQSZACIVSA-N -1 3 395.379 0.380 20 0 GCADHM NC(=O)[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826389769 608826203 /nfs/dbraw/zinc/82/62/03/608826203.db2.gz HXFSSSOFLGQWRZ-CQSZACIVSA-N -1 3 395.379 0.380 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2cccc(-c3nnn[n-]3)c2)(C(=O)OC)CC1 ZINC000826134351 608826478 /nfs/dbraw/zinc/82/64/78/608826478.db2.gz VVNWZHFKATYGCB-UHFFFAOYSA-N -1 3 387.396 0.872 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2cccc(-c3nn[n-]n3)c2)(C(=O)OC)CC1 ZINC000826134351 608826480 /nfs/dbraw/zinc/82/64/80/608826480.db2.gz VVNWZHFKATYGCB-UHFFFAOYSA-N -1 3 387.396 0.872 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cn1 ZINC000825883938 608865830 /nfs/dbraw/zinc/86/58/30/608865830.db2.gz QTBMFIGVZBNALY-UHFFFAOYSA-N -1 3 397.418 0.824 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cn1 ZINC000825883938 608865831 /nfs/dbraw/zinc/86/58/31/608865831.db2.gz QTBMFIGVZBNALY-UHFFFAOYSA-N -1 3 397.418 0.824 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000825883045 608873716 /nfs/dbraw/zinc/87/37/16/608873716.db2.gz BECJBLOBEMNWRX-UHFFFAOYSA-N -1 3 380.416 0.080 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000825883045 608873719 /nfs/dbraw/zinc/87/37/19/608873719.db2.gz BECJBLOBEMNWRX-UHFFFAOYSA-N -1 3 380.416 0.080 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)o1 ZINC000826335281 609134507 /nfs/dbraw/zinc/13/45/07/609134507.db2.gz HFSNWGWSTPHYDO-ZDUSSCGKSA-N -1 3 382.384 0.412 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)o1 ZINC000826335281 609134508 /nfs/dbraw/zinc/13/45/08/609134508.db2.gz HFSNWGWSTPHYDO-ZDUSSCGKSA-N -1 3 382.384 0.412 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CCC(=O)NC1 ZINC000826480279 609134979 /nfs/dbraw/zinc/13/49/79/609134979.db2.gz WOQAADKILCVTSZ-JSGCOSHPSA-N -1 3 383.412 0.005 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CCC(=O)NC1 ZINC000826480279 609134980 /nfs/dbraw/zinc/13/49/80/609134980.db2.gz WOQAADKILCVTSZ-JSGCOSHPSA-N -1 3 383.412 0.005 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1=O ZINC000826358757 609136224 /nfs/dbraw/zinc/13/62/24/609136224.db2.gz HHCHOSBBWJJOKH-HNNXBMFYSA-N -1 3 393.407 0.491 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1=O ZINC000826358757 609136225 /nfs/dbraw/zinc/13/62/25/609136225.db2.gz HHCHOSBBWJJOKH-HNNXBMFYSA-N -1 3 393.407 0.491 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1=O ZINC000826358758 609136298 /nfs/dbraw/zinc/13/62/98/609136298.db2.gz HHCHOSBBWJJOKH-OAHLLOKOSA-N -1 3 393.407 0.491 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1=O ZINC000826358758 609136300 /nfs/dbraw/zinc/13/63/00/609136300.db2.gz HHCHOSBBWJJOKH-OAHLLOKOSA-N -1 3 393.407 0.491 20 0 GCADHM Cc1cc(C(=O)NCCCN2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259265 609141015 /nfs/dbraw/zinc/14/10/15/609141015.db2.gz MXCLLNXATJGTCQ-UHFFFAOYSA-N -1 3 396.455 0.813 20 0 GCADHM CCCCCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)CC(N)=O ZINC000825275961 609143204 /nfs/dbraw/zinc/14/32/04/609143204.db2.gz JSQHHMVBJURVBW-UHFFFAOYSA-N -1 3 380.474 0.618 20 0 GCADHM CCCCCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)CC(N)=O ZINC000825275961 609143205 /nfs/dbraw/zinc/14/32/05/609143205.db2.gz JSQHHMVBJURVBW-UHFFFAOYSA-N -1 3 380.474 0.618 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)[C@@H](C(=O)OC)C1 ZINC000826133321 609144343 /nfs/dbraw/zinc/14/43/43/609144343.db2.gz LLEZWXBJDKMWJP-QMTHXVAHSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)[C@@H](C(=O)OC)C1 ZINC000826133321 609144344 /nfs/dbraw/zinc/14/43/44/609144344.db2.gz LLEZWXBJDKMWJP-QMTHXVAHSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)[C@H](C(=O)OC)C1 ZINC000826131958 609144374 /nfs/dbraw/zinc/14/43/74/609144374.db2.gz AIWPXVDFPXBCCQ-RISCZKNCSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)[C@H](C(=O)OC)C1 ZINC000826131958 609144375 /nfs/dbraw/zinc/14/43/75/609144375.db2.gz AIWPXVDFPXBCCQ-RISCZKNCSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111673 609144557 /nfs/dbraw/zinc/14/45/57/609144557.db2.gz JOMIEKGMZNZIPH-LSDHHAIUSA-N -1 3 389.412 0.593 20 0 GCADHM COC(=O)[C@H](NC[C@H]1COC2(CCOCC2)O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111673 609144559 /nfs/dbraw/zinc/14/45/59/609144559.db2.gz JOMIEKGMZNZIPH-LSDHHAIUSA-N -1 3 389.412 0.593 20 0 GCADHM COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@H](C(=O)OC)C1 ZINC000826133729 609144707 /nfs/dbraw/zinc/14/47/07/609144707.db2.gz OQPABMPDJQHBNB-QLFBSQMISA-N -1 3 389.412 0.327 20 0 GCADHM COC(=O)[C@@H]1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@H](C(=O)OC)C1 ZINC000826133729 609144709 /nfs/dbraw/zinc/14/47/09/609144709.db2.gz OQPABMPDJQHBNB-QLFBSQMISA-N -1 3 389.412 0.327 20 0 GCADHM COC(=O)[C@@H]1CCN(CCOc2ccc(-c3nn[n-]n3)cc2)[C@@H](C(=O)OC)C1 ZINC000826133069 609144743 /nfs/dbraw/zinc/14/47/43/609144743.db2.gz JNZLUEDDPXKHRI-UKRRQHHQSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@H]1CCN(CCOc2ccccc2-c2nnn[n-]2)[C@H](C(=O)OC)C1 ZINC000826134706 609144963 /nfs/dbraw/zinc/14/49/63/609144963.db2.gz ZDYZWHDZANHVKM-JSGCOSHPSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@H]1CCN(CCOc2ccccc2-c2nn[n-]n2)[C@H](C(=O)OC)C1 ZINC000826134706 609144964 /nfs/dbraw/zinc/14/49/64/609144964.db2.gz ZDYZWHDZANHVKM-JSGCOSHPSA-N -1 3 389.412 0.672 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CCO1 ZINC000826134343 609153297 /nfs/dbraw/zinc/15/32/97/609153297.db2.gz VRNRSINHQWRBNJ-HNNXBMFYSA-N -1 3 397.395 0.375 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CCO1 ZINC000826134343 609153298 /nfs/dbraw/zinc/15/32/98/609153298.db2.gz VRNRSINHQWRBNJ-HNNXBMFYSA-N -1 3 397.395 0.375 20 0 GCADHM CCn1cnnc1CCNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825805142 609153364 /nfs/dbraw/zinc/15/33/64/609153364.db2.gz UPFQLFBDZJPMDN-UHFFFAOYSA-N -1 3 392.427 0.945 20 0 GCADHM CCn1cnnc1CCNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825805142 609153366 /nfs/dbraw/zinc/15/33/66/609153366.db2.gz UPFQLFBDZJPMDN-UHFFFAOYSA-N -1 3 392.427 0.945 20 0 GCADHM Cc1cc(C(=O)NCc2nnc(C)n2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260046 609153636 /nfs/dbraw/zinc/15/36/36/609153636.db2.gz SOZCAUFOJWAJOB-UHFFFAOYSA-N -1 3 378.400 0.728 20 0 GCADHM Cc1cc(C(=O)NCc2nnc(C)n2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260046 609153637 /nfs/dbraw/zinc/15/36/37/609153637.db2.gz SOZCAUFOJWAJOB-UHFFFAOYSA-N -1 3 378.400 0.728 20 0 GCADHM Cc1cc(C(=O)NCCN2CCOC[C@@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259047 609153648 /nfs/dbraw/zinc/15/36/48/609153648.db2.gz FYULOHREMGEOSI-AWEZNQCLSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1cc(C(=O)NCCN2CCOC[C@@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259047 609153649 /nfs/dbraw/zinc/15/36/49/609153649.db2.gz FYULOHREMGEOSI-AWEZNQCLSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1cc(C(=O)NCCN2CCO[C@@H](C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259085 609153777 /nfs/dbraw/zinc/15/37/77/609153777.db2.gz GXZJGWWBZWJHQK-AWEZNQCLSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1cc(C(=O)NCCN2CCO[C@@H](C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259085 609153779 /nfs/dbraw/zinc/15/37/79/609153779.db2.gz GXZJGWWBZWJHQK-AWEZNQCLSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1cc(C(=O)NCC2(O)CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259573 609158557 /nfs/dbraw/zinc/15/85/57/609158557.db2.gz WRXVXFGHIYSKHM-UHFFFAOYSA-N -1 3 383.412 0.632 20 0 GCADHM Cc1cc(C(=O)NCC2(O)CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259573 609158558 /nfs/dbraw/zinc/15/85/58/609158558.db2.gz WRXVXFGHIYSKHM-UHFFFAOYSA-N -1 3 383.412 0.632 20 0 GCADHM CNC(=O)[C@H](C)CN(C)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826051311 609161738 /nfs/dbraw/zinc/16/17/38/609161738.db2.gz KFJOMTTWADJRII-LLVKDONJSA-N -1 3 382.428 0.815 20 0 GCADHM CNC(=O)[C@H](C)CN(C)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826051311 609161740 /nfs/dbraw/zinc/16/17/40/609161740.db2.gz KFJOMTTWADJRII-LLVKDONJSA-N -1 3 382.428 0.815 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117631 609162947 /nfs/dbraw/zinc/16/29/47/609162947.db2.gz OMUAUUPZPBSPHE-WFASDCNBSA-N -1 3 385.380 0.635 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117631 609162948 /nfs/dbraw/zinc/16/29/48/609162948.db2.gz OMUAUUPZPBSPHE-WFASDCNBSA-N -1 3 385.380 0.635 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117629 609162981 /nfs/dbraw/zinc/16/29/81/609162981.db2.gz OMUAUUPZPBSPHE-IUODEOHRSA-N -1 3 385.380 0.635 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117629 609162983 /nfs/dbraw/zinc/16/29/83/609162983.db2.gz OMUAUUPZPBSPHE-IUODEOHRSA-N -1 3 385.380 0.635 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258074 609163181 /nfs/dbraw/zinc/16/31/81/609163181.db2.gz YNXDSESMPYLIRD-DOMZBBRYSA-N -1 3 383.412 0.583 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258074 609163182 /nfs/dbraw/zinc/16/31/82/609163182.db2.gz YNXDSESMPYLIRD-DOMZBBRYSA-N -1 3 383.412 0.583 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117628 609163249 /nfs/dbraw/zinc/16/32/49/609163249.db2.gz OMUAUUPZPBSPHE-DOMZBBRYSA-N -1 3 385.380 0.635 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117628 609163250 /nfs/dbraw/zinc/16/32/50/609163250.db2.gz OMUAUUPZPBSPHE-DOMZBBRYSA-N -1 3 385.380 0.635 20 0 GCADHM Cc1cc(C(=O)NCC2(CO)CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259167 609164978 /nfs/dbraw/zinc/16/49/78/609164978.db2.gz JWBJYVACHXLZAV-UHFFFAOYSA-N -1 3 397.439 0.880 20 0 GCADHM Cc1cc(C(=O)NCC2(CO)CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259167 609164980 /nfs/dbraw/zinc/16/49/80/609164980.db2.gz JWBJYVACHXLZAV-UHFFFAOYSA-N -1 3 397.439 0.880 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@H]2CCOC2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559437 609168823 /nfs/dbraw/zinc/16/88/23/609168823.db2.gz FPQMBRUWHHQURP-LLVKDONJSA-N -1 3 392.416 0.856 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@H]2CCOC2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559437 609168825 /nfs/dbraw/zinc/16/88/25/609168825.db2.gz FPQMBRUWHHQURP-LLVKDONJSA-N -1 3 392.416 0.856 20 0 GCADHM CCOC(=O)c1c(NC(=O)Cn2cccn2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560974 609169347 /nfs/dbraw/zinc/16/93/47/609169347.db2.gz YOBPOQNILVLIHU-UHFFFAOYSA-N -1 3 388.388 0.327 20 0 GCADHM CCOC(=O)c1c(NC(=O)Cn2cccn2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560974 609169348 /nfs/dbraw/zinc/16/93/48/609169348.db2.gz YOBPOQNILVLIHU-UHFFFAOYSA-N -1 3 388.388 0.327 20 0 GCADHM COCc1noc(CN2C(=O)N[C@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826165746 609172897 /nfs/dbraw/zinc/17/28/97/609172897.db2.gz IKMIFZSRKSSABK-MRXNPFEDSA-N -1 3 384.356 0.363 20 0 GCADHM COCc1noc(CN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826165746 609172898 /nfs/dbraw/zinc/17/28/98/609172898.db2.gz IKMIFZSRKSSABK-MRXNPFEDSA-N -1 3 384.356 0.363 20 0 GCADHM CCOC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825523997 609178674 /nfs/dbraw/zinc/17/86/74/609178674.db2.gz YDRRLZQKZPVZRI-CYBMUJFWSA-N -1 3 387.400 0.224 20 0 GCADHM CCOC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825523997 609178676 /nfs/dbraw/zinc/17/86/76/609178676.db2.gz YDRRLZQKZPVZRI-CYBMUJFWSA-N -1 3 387.400 0.224 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826396778 609178875 /nfs/dbraw/zinc/17/88/75/609178875.db2.gz KSVRZNILVVYGSO-LBPRGKRZSA-N -1 3 379.384 0.164 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826396778 609178876 /nfs/dbraw/zinc/17/88/76/609178876.db2.gz KSVRZNILVVYGSO-LBPRGKRZSA-N -1 3 379.384 0.164 20 0 GCADHM O=C(CCN1CCOCC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826407595 609179116 /nfs/dbraw/zinc/17/91/16/609179116.db2.gz UCBZNYZWTKMTAD-INIZCTEOSA-N -1 3 399.455 0.201 20 0 GCADHM CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825114578 609179877 /nfs/dbraw/zinc/17/98/77/609179877.db2.gz NZIFJWUMUUGSJW-ZFWWWQNUSA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825114578 609179879 /nfs/dbraw/zinc/17/98/79/609179879.db2.gz NZIFJWUMUUGSJW-ZFWWWQNUSA-N -1 3 387.444 0.822 20 0 GCADHM C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H](C)CO ZINC000824433507 609180046 /nfs/dbraw/zinc/18/00/46/609180046.db2.gz GEFMATBEENZTCS-LALPHHSUSA-N -1 3 387.444 0.678 20 0 GCADHM C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H](C)CO ZINC000824433507 609180048 /nfs/dbraw/zinc/18/00/48/609180048.db2.gz GEFMATBEENZTCS-LALPHHSUSA-N -1 3 387.444 0.678 20 0 GCADHM CCc1nnc2n1C[C@H](NC(=O)NCc1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC000825771065 609180146 /nfs/dbraw/zinc/18/01/46/609180146.db2.gz IASQFLDCCZSUGR-GFCCVEGCSA-N -1 3 385.407 0.974 20 0 GCADHM CCc1nnc2n1C[C@H](NC(=O)NCc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC000825771065 609180148 /nfs/dbraw/zinc/18/01/48/609180148.db2.gz IASQFLDCCZSUGR-GFCCVEGCSA-N -1 3 385.407 0.974 20 0 GCADHM CC[C@@H](CCO)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825114567 609180181 /nfs/dbraw/zinc/18/01/81/609180181.db2.gz NZIFJWUMUUGSJW-DZGCQCFKSA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@@H](CCO)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825114567 609180182 /nfs/dbraw/zinc/18/01/82/609180182.db2.gz NZIFJWUMUUGSJW-DZGCQCFKSA-N -1 3 387.444 0.822 20 0 GCADHM Cc1nnc(CNC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)o1 ZINC000826335541 609180713 /nfs/dbraw/zinc/18/07/13/609180713.db2.gz RBPPETXAULOZCL-CYBMUJFWSA-N -1 3 397.399 0.553 20 0 GCADHM Cc1nnc(CNC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)o1 ZINC000826335541 609180714 /nfs/dbraw/zinc/18/07/14/609180714.db2.gz RBPPETXAULOZCL-CYBMUJFWSA-N -1 3 397.399 0.553 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H]2CCc3nnc(C)n3C2)cc1-c1nnn[n-]1 ZINC000826199324 609181801 /nfs/dbraw/zinc/18/18/01/609181801.db2.gz WADKFFHCQUMLHW-GFCCVEGCSA-N -1 3 383.416 0.589 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H]2CCc3nnc(C)n3C2)cc1-c1nn[n-]n1 ZINC000826199324 609181802 /nfs/dbraw/zinc/18/18/02/609181802.db2.gz WADKFFHCQUMLHW-GFCCVEGCSA-N -1 3 383.416 0.589 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826491064 609182801 /nfs/dbraw/zinc/18/28/01/609182801.db2.gz RYQSWASHNPKBGS-JTQLQIEISA-N -1 3 399.404 0.206 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826491064 609182802 /nfs/dbraw/zinc/18/28/02/609182802.db2.gz RYQSWASHNPKBGS-JTQLQIEISA-N -1 3 399.404 0.206 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1cccc(-c2nnn[n-]2)c1 ZINC000826490622 609182822 /nfs/dbraw/zinc/18/28/22/609182822.db2.gz BLCZAAUOIDMGNC-LBPRGKRZSA-N -1 3 381.414 0.067 20 0 GCADHM O=S(=O)(NC[C@H]1COC2(CCOCC2)O1)c1cccc(-c2nn[n-]n2)c1 ZINC000826490622 609182824 /nfs/dbraw/zinc/18/28/24/609182824.db2.gz BLCZAAUOIDMGNC-LBPRGKRZSA-N -1 3 381.414 0.067 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826490925 609182966 /nfs/dbraw/zinc/18/29/66/609182966.db2.gz MXSUCLMXESHWDW-GFCCVEGCSA-N -1 3 381.414 0.067 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826490925 609182968 /nfs/dbraw/zinc/18/29/68/609182968.db2.gz MXSUCLMXESHWDW-GFCCVEGCSA-N -1 3 381.414 0.067 20 0 GCADHM O=C(NCCc1nnc2n1CCCCC2)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439698 609191347 /nfs/dbraw/zinc/19/13/47/609191347.db2.gz GHWMWPLUBSFSLC-INIZCTEOSA-N -1 3 382.428 0.577 20 0 GCADHM O=C(NCCc1nnc2n1CCCCC2)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439698 609191349 /nfs/dbraw/zinc/19/13/49/609191349.db2.gz GHWMWPLUBSFSLC-INIZCTEOSA-N -1 3 382.428 0.577 20 0 GCADHM O=C(NCc1cccnc1-n1cccn1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443612 609197139 /nfs/dbraw/zinc/19/71/39/609197139.db2.gz WVXXQZJWRZCOSQ-OAHLLOKOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1cccnc1-n1cccn1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443612 609197140 /nfs/dbraw/zinc/19/71/40/609197140.db2.gz WVXXQZJWRZCOSQ-OAHLLOKOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(Nc1cccc(N2C(=O)CNC2=O)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456614 609197241 /nfs/dbraw/zinc/19/72/41/609197241.db2.gz OGNLBNBMOXJURZ-OAHLLOKOSA-N -1 3 393.363 0.595 20 0 GCADHM O=C(Nc1cccc(N2C(=O)CNC2=O)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456614 609197243 /nfs/dbraw/zinc/19/72/43/609197243.db2.gz OGNLBNBMOXJURZ-OAHLLOKOSA-N -1 3 393.363 0.595 20 0 GCADHM CS(=O)(=O)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826223854 609198078 /nfs/dbraw/zinc/19/80/78/609198078.db2.gz CJVNKICYUFLZJQ-HNNXBMFYSA-N -1 3 387.421 0.620 20 0 GCADHM CS(=O)(=O)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826223854 609198079 /nfs/dbraw/zinc/19/80/79/609198079.db2.gz CJVNKICYUFLZJQ-HNNXBMFYSA-N -1 3 387.421 0.620 20 0 GCADHM NC(=O)CCOc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826391286 609199836 /nfs/dbraw/zinc/19/98/36/609199836.db2.gz DVJFZAVOYFRJQR-INIZCTEOSA-N -1 3 382.380 0.793 20 0 GCADHM NC(=O)CCOc1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826391286 609199838 /nfs/dbraw/zinc/19/98/38/609199838.db2.gz DVJFZAVOYFRJQR-INIZCTEOSA-N -1 3 382.380 0.793 20 0 GCADHM O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826434711 609201268 /nfs/dbraw/zinc/20/12/68/609201268.db2.gz VHYSTHQWVKSZII-JKSUJKDBSA-N -1 3 384.440 0.665 20 0 GCADHM O=C(NCC1CC1)[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826434711 609201270 /nfs/dbraw/zinc/20/12/70/609201270.db2.gz VHYSTHQWVKSZII-JKSUJKDBSA-N -1 3 384.440 0.665 20 0 GCADHM C[C@]1(NC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCOC1 ZINC000824830839 609202264 /nfs/dbraw/zinc/20/22/64/609202264.db2.gz MEUGNZCJEBGZPG-KDOFPFPSSA-N -1 3 385.428 0.840 20 0 GCADHM C[C@]1(NC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCOC1 ZINC000824830839 609202266 /nfs/dbraw/zinc/20/22/66/609202266.db2.gz MEUGNZCJEBGZPG-KDOFPFPSSA-N -1 3 385.428 0.840 20 0 GCADHM CCC[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825248053 609202485 /nfs/dbraw/zinc/20/24/85/609202485.db2.gz MCPPLVVVBBJVQG-HUUCEWRRSA-N -1 3 387.444 0.822 20 0 GCADHM CCC[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825248053 609202486 /nfs/dbraw/zinc/20/24/86/609202486.db2.gz MCPPLVVVBBJVQG-HUUCEWRRSA-N -1 3 387.444 0.822 20 0 GCADHM C[C@@H](O)CCN(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824699478 609202619 /nfs/dbraw/zinc/20/26/19/609202619.db2.gz SYLKVJIQEUUDRK-IUODEOHRSA-N -1 3 387.444 0.774 20 0 GCADHM C[C@@H](O)CCN(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824699478 609202621 /nfs/dbraw/zinc/20/26/21/609202621.db2.gz SYLKVJIQEUUDRK-IUODEOHRSA-N -1 3 387.444 0.774 20 0 GCADHM CN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826038171 609202968 /nfs/dbraw/zinc/20/29/68/609202968.db2.gz JGSDJZDSKSEVCU-OAHLLOKOSA-N -1 3 384.444 0.319 20 0 GCADHM CN(C[C@@H](O)C1CC1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825902194 609203061 /nfs/dbraw/zinc/20/30/61/609203061.db2.gz QIECXJWLMGCFSN-HZPDHXFCSA-N -1 3 399.455 0.774 20 0 GCADHM CN(C[C@@H](O)C1CC1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825902194 609203063 /nfs/dbraw/zinc/20/30/63/609203063.db2.gz QIECXJWLMGCFSN-HZPDHXFCSA-N -1 3 399.455 0.774 20 0 GCADHM C[C@@](CO)(NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000824435271 609203521 /nfs/dbraw/zinc/20/35/21/609203521.db2.gz NPMKYTASYYKQOB-BEFAXECRSA-N -1 3 399.455 0.822 20 0 GCADHM C[C@@](CO)(NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000824435271 609203522 /nfs/dbraw/zinc/20/35/22/609203522.db2.gz NPMKYTASYYKQOB-BEFAXECRSA-N -1 3 399.455 0.822 20 0 GCADHM C[C@](CO)(NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000824435273 609203569 /nfs/dbraw/zinc/20/35/69/609203569.db2.gz NPMKYTASYYKQOB-HNAYVOBHSA-N -1 3 399.455 0.822 20 0 GCADHM C[C@](CO)(NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000824435273 609203570 /nfs/dbraw/zinc/20/35/70/609203570.db2.gz NPMKYTASYYKQOB-HNAYVOBHSA-N -1 3 399.455 0.822 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000826478644 609203713 /nfs/dbraw/zinc/20/37/13/609203713.db2.gz HFJIQACPXOJNIC-SJLPKXTDSA-N -1 3 392.419 0.990 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000826478644 609203715 /nfs/dbraw/zinc/20/37/15/609203715.db2.gz HFJIQACPXOJNIC-SJLPKXTDSA-N -1 3 392.419 0.990 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CC[C@H](CO)C1 ZINC000826431072 609204698 /nfs/dbraw/zinc/20/46/98/609204698.db2.gz RIUCASPQRQEDMG-WFASDCNBSA-N -1 3 385.428 0.386 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CC[C@H](CO)C1 ZINC000826431072 609204699 /nfs/dbraw/zinc/20/46/99/609204699.db2.gz RIUCASPQRQEDMG-WFASDCNBSA-N -1 3 385.428 0.386 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC(CO)CC1 ZINC000826431041 609205138 /nfs/dbraw/zinc/20/51/38/609205138.db2.gz QNUGEHDRSFXXTD-MRXNPFEDSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC(CO)CC1 ZINC000826431041 609205140 /nfs/dbraw/zinc/20/51/40/609205140.db2.gz QNUGEHDRSFXXTD-MRXNPFEDSA-N -1 3 399.455 0.776 20 0 GCADHM COc1ccc(C(=O)NCCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826187583 609206071 /nfs/dbraw/zinc/20/60/71/609206071.db2.gz XDLGNCXWNBKIMP-INIZCTEOSA-N -1 3 396.407 0.455 20 0 GCADHM COc1ccc(C(=O)NCCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826187583 609206073 /nfs/dbraw/zinc/20/60/73/609206073.db2.gz XDLGNCXWNBKIMP-INIZCTEOSA-N -1 3 396.407 0.455 20 0 GCADHM O=C(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(c2ccccc2)CC1 ZINC000826435233 609206320 /nfs/dbraw/zinc/20/63/20/609206320.db2.gz JPNAAGHVKMXPSB-UHFFFAOYSA-N -1 3 394.439 0.664 20 0 GCADHM O=C(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(c2ccccc2)CC1 ZINC000826435233 609206321 /nfs/dbraw/zinc/20/63/21/609206321.db2.gz JPNAAGHVKMXPSB-UHFFFAOYSA-N -1 3 394.439 0.664 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N[C@@H]1CCCC[C@@H]1O ZINC000826430895 609206598 /nfs/dbraw/zinc/20/65/98/609206598.db2.gz MLJVEOWNTXHCAS-OAGGEKHMSA-N -1 3 399.455 0.965 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N[C@@H]1CCCC[C@@H]1O ZINC000826430895 609206600 /nfs/dbraw/zinc/20/66/00/609206600.db2.gz MLJVEOWNTXHCAS-OAGGEKHMSA-N -1 3 399.455 0.965 20 0 GCADHM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826090931 609208593 /nfs/dbraw/zinc/20/85/93/609208593.db2.gz QWRMACZAGONHBG-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826090931 609208594 /nfs/dbraw/zinc/20/85/94/609208594.db2.gz QWRMACZAGONHBG-VIFPVBQESA-N -1 3 375.414 0.594 20 0 GCADHM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435523 609209626 /nfs/dbraw/zinc/20/96/26/609209626.db2.gz QGJWYNWHTKMYLB-MFKMUULPSA-N -1 3 384.362 0.901 20 0 GCADHM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435523 609209627 /nfs/dbraw/zinc/20/96/27/609209627.db2.gz QGJWYNWHTKMYLB-MFKMUULPSA-N -1 3 384.362 0.901 20 0 GCADHM C[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1 ZINC000824470325 609210028 /nfs/dbraw/zinc/21/00/28/609210028.db2.gz HKGRMTFKAOPMHI-WBMJQRKESA-N -1 3 380.408 0.721 20 0 GCADHM C[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1 ZINC000824470325 609210030 /nfs/dbraw/zinc/21/00/30/609210030.db2.gz HKGRMTFKAOPMHI-WBMJQRKESA-N -1 3 380.408 0.721 20 0 GCADHM CC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000825134079 609210020 /nfs/dbraw/zinc/21/00/20/609210020.db2.gz RPMBCSPDYXMNMJ-GFCCVEGCSA-N -1 3 375.414 0.723 20 0 GCADHM CC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(S(N)(=O)=O)c1 ZINC000825134079 609210021 /nfs/dbraw/zinc/21/00/21/609210021.db2.gz RPMBCSPDYXMNMJ-GFCCVEGCSA-N -1 3 375.414 0.723 20 0 GCADHM O=C(NCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000826437259 609211345 /nfs/dbraw/zinc/21/13/45/609211345.db2.gz COKYVPGSJMENBC-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(NCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000826437259 609211347 /nfs/dbraw/zinc/21/13/47/609211347.db2.gz COKYVPGSJMENBC-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(Nc1cccnc1N1CCOCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826458011 609211475 /nfs/dbraw/zinc/21/14/75/609211475.db2.gz ZJZMCFDHOMLJDW-HNNXBMFYSA-N -1 3 381.396 0.770 20 0 GCADHM O=C(Nc1cccnc1N1CCOCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826458011 609211476 /nfs/dbraw/zinc/21/14/76/609211476.db2.gz ZJZMCFDHOMLJDW-HNNXBMFYSA-N -1 3 381.396 0.770 20 0 GCADHM O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826437587 609211481 /nfs/dbraw/zinc/21/14/81/609211481.db2.gz SFKXOMYXSIUEGU-OAHLLOKOSA-N -1 3 392.375 0.313 20 0 GCADHM O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826437587 609211482 /nfs/dbraw/zinc/21/14/82/609211482.db2.gz SFKXOMYXSIUEGU-OAHLLOKOSA-N -1 3 392.375 0.313 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cscn2)CC1 ZINC000826397543 609211493 /nfs/dbraw/zinc/21/14/93/609211493.db2.gz GFEVKHOXSCEVDY-HNNXBMFYSA-N -1 3 385.453 0.701 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cscn2)CC1 ZINC000826397543 609211494 /nfs/dbraw/zinc/21/14/94/609211494.db2.gz GFEVKHOXSCEVDY-HNNXBMFYSA-N -1 3 385.453 0.701 20 0 GCADHM COCCOc1ncccc1CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826163492 609212300 /nfs/dbraw/zinc/21/23/00/609212300.db2.gz XCNBRCZFSHBAGB-OAHLLOKOSA-N -1 3 384.396 0.637 20 0 GCADHM COCCOc1ncccc1CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826163492 609212301 /nfs/dbraw/zinc/21/23/01/609212301.db2.gz XCNBRCZFSHBAGB-OAHLLOKOSA-N -1 3 384.396 0.637 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443889 609214072 /nfs/dbraw/zinc/21/40/72/609214072.db2.gz ILEQVWLVXQFVMI-HNNXBMFYSA-N -1 3 377.368 0.192 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443889 609214074 /nfs/dbraw/zinc/21/40/74/609214074.db2.gz ILEQVWLVXQFVMI-HNNXBMFYSA-N -1 3 377.368 0.192 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCN(CC(F)(F)F)CC1 ZINC000826397674 609214093 /nfs/dbraw/zinc/21/40/93/609214093.db2.gz ILBRRFUHQICICR-CYBMUJFWSA-N -1 3 384.362 0.997 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCCN(CC(F)(F)F)CC1 ZINC000826397674 609214095 /nfs/dbraw/zinc/21/40/95/609214095.db2.gz ILBRRFUHQICICR-CYBMUJFWSA-N -1 3 384.362 0.997 20 0 GCADHM CCN(CC)C(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825398908 609215964 /nfs/dbraw/zinc/21/59/64/609215964.db2.gz AVPPZESKYGLISY-KGLIPLIRSA-N -1 3 390.469 0.670 20 0 GCADHM CCN(CC)C(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825398908 609215965 /nfs/dbraw/zinc/21/59/65/609215965.db2.gz AVPPZESKYGLISY-KGLIPLIRSA-N -1 3 390.469 0.670 20 0 GCADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)[C@@H]1CC(=O)NC1=O ZINC000825380883 609216007 /nfs/dbraw/zinc/21/60/07/609216007.db2.gz WXVBABJQQDEMDP-CQSZACIVSA-N -1 3 394.395 0.238 20 0 GCADHM CCN(C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)[C@@H]1CC(=O)NC1=O ZINC000825380883 609216009 /nfs/dbraw/zinc/21/60/09/609216009.db2.gz WXVBABJQQDEMDP-CQSZACIVSA-N -1 3 394.395 0.238 20 0 GCADHM Cn1c2ccc(NC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2n(C)c1=O ZINC000826354811 609216417 /nfs/dbraw/zinc/21/64/17/609216417.db2.gz WAJFYDOSGJRAML-OAHLLOKOSA-N -1 3 379.380 0.729 20 0 GCADHM Cn1c2ccc(NC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2n(C)c1=O ZINC000826354811 609216418 /nfs/dbraw/zinc/21/64/18/609216418.db2.gz WAJFYDOSGJRAML-OAHLLOKOSA-N -1 3 379.380 0.729 20 0 GCADHM CCCCNC(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825285051 609217966 /nfs/dbraw/zinc/21/79/66/609217966.db2.gz HRSYVMHTAZPQDT-ZIAGYGMSSA-N -1 3 390.469 0.718 20 0 GCADHM CCCCNC(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825285051 609217968 /nfs/dbraw/zinc/21/79/68/609217968.db2.gz HRSYVMHTAZPQDT-ZIAGYGMSSA-N -1 3 390.469 0.718 20 0 GCADHM CNC(=O)c1cc(OC)ccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826067796 609219867 /nfs/dbraw/zinc/21/98/67/609219867.db2.gz KOWBPIHPXBPHCX-OAHLLOKOSA-N -1 3 382.380 0.907 20 0 GCADHM CNC(=O)c1cc(OC)ccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826067796 609219869 /nfs/dbraw/zinc/21/98/69/609219869.db2.gz KOWBPIHPXBPHCX-OAHLLOKOSA-N -1 3 382.380 0.907 20 0 GCADHM O=C(NCCN1C(=O)Cc2ccccc21)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826437690 609220199 /nfs/dbraw/zinc/22/01/99/609220199.db2.gz XKHQDYZSNKHWNV-KRWDZBQOSA-N -1 3 378.392 0.606 20 0 GCADHM O=C(NCCN1C(=O)Cc2ccccc21)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826437690 609220201 /nfs/dbraw/zinc/22/02/01/609220201.db2.gz XKHQDYZSNKHWNV-KRWDZBQOSA-N -1 3 378.392 0.606 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825946115 609220676 /nfs/dbraw/zinc/22/06/76/609220676.db2.gz JOQWUMZWARWPIP-QGZVFWFLSA-N -1 3 395.423 0.112 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825946115 609220677 /nfs/dbraw/zinc/22/06/77/609220677.db2.gz JOQWUMZWARWPIP-QGZVFWFLSA-N -1 3 395.423 0.112 20 0 GCADHM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2=O)c1 ZINC000826181315 609221419 /nfs/dbraw/zinc/22/14/19/609221419.db2.gz USTYKSPTDGMUDH-AWEZNQCLSA-N -1 3 397.395 0.747 20 0 GCADHM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2=O)c1 ZINC000826181315 609221420 /nfs/dbraw/zinc/22/14/20/609221420.db2.gz USTYKSPTDGMUDH-AWEZNQCLSA-N -1 3 397.395 0.747 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000826396998 609224296 /nfs/dbraw/zinc/22/42/96/609224296.db2.gz QXFYYERLAACSAW-KGLIPLIRSA-N -1 3 377.426 0.078 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000826396998 609224299 /nfs/dbraw/zinc/22/42/99/609224299.db2.gz QXFYYERLAACSAW-KGLIPLIRSA-N -1 3 377.426 0.078 20 0 GCADHM CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825805145 609224990 /nfs/dbraw/zinc/22/49/90/609224990.db2.gz UVCYFPHGHJYBMA-GJZGRUSLSA-N -1 3 382.428 0.918 20 0 GCADHM CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825805145 609224992 /nfs/dbraw/zinc/22/49/92/609224992.db2.gz UVCYFPHGHJYBMA-GJZGRUSLSA-N -1 3 382.428 0.918 20 0 GCADHM Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000826324562 609225434 /nfs/dbraw/zinc/22/54/34/609225434.db2.gz WMQMNDNIORORAA-JKSUJKDBSA-N -1 3 382.428 0.972 20 0 GCADHM Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000826324562 609225436 /nfs/dbraw/zinc/22/54/36/609225436.db2.gz WMQMNDNIORORAA-JKSUJKDBSA-N -1 3 382.428 0.972 20 0 GCADHM CN(c1cccnn1)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826010650 609225508 /nfs/dbraw/zinc/22/55/08/609225508.db2.gz MXYIQPRLIZXEJR-KRWDZBQOSA-N -1 3 394.439 0.818 20 0 GCADHM CN(c1cccnn1)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826010650 609225510 /nfs/dbraw/zinc/22/55/10/609225510.db2.gz MXYIQPRLIZXEJR-KRWDZBQOSA-N -1 3 394.439 0.818 20 0 GCADHM Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000826324559 609225541 /nfs/dbraw/zinc/22/55/41/609225541.db2.gz WMQMNDNIORORAA-CVEARBPZSA-N -1 3 382.428 0.972 20 0 GCADHM Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000826324559 609225542 /nfs/dbraw/zinc/22/55/42/609225542.db2.gz WMQMNDNIORORAA-CVEARBPZSA-N -1 3 382.428 0.972 20 0 GCADHM CCNS(=O)(=O)c1ccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825476496 609225763 /nfs/dbraw/zinc/22/57/63/609225763.db2.gz LRHMODWAMAKSBY-UHFFFAOYSA-N -1 3 375.414 0.423 20 0 GCADHM CCNS(=O)(=O)c1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825476496 609225765 /nfs/dbraw/zinc/22/57/65/609225765.db2.gz LRHMODWAMAKSBY-UHFFFAOYSA-N -1 3 375.414 0.423 20 0 GCADHM CC(C)N1C(=S)N=NC1CCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824371695 609226992 /nfs/dbraw/zinc/22/69/92/609226992.db2.gz OQBDGCZAYAQNRD-ZDUSSCGKSA-N -1 3 388.457 0.720 20 0 GCADHM CC(C)N1C(=S)N=NC1CCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824371695 609226994 /nfs/dbraw/zinc/22/69/94/609226994.db2.gz OQBDGCZAYAQNRD-ZDUSSCGKSA-N -1 3 388.457 0.720 20 0 GCADHM O=C(Nc1ccn(CCN2CCOCC2)n1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826459145 609227969 /nfs/dbraw/zinc/22/79/69/609227969.db2.gz XBXIEUYSJDRHMU-INIZCTEOSA-N -1 3 398.427 0.068 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826159995 609228156 /nfs/dbraw/zinc/22/81/56/609228156.db2.gz AOEGWLNBRJOAHA-HNNXBMFYSA-N -1 3 383.412 0.299 20 0 GCADHM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826159995 609228157 /nfs/dbraw/zinc/22/81/57/609228157.db2.gz AOEGWLNBRJOAHA-HNNXBMFYSA-N -1 3 383.412 0.299 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000826397654 609229207 /nfs/dbraw/zinc/22/92/07/609229207.db2.gz IFBYPRNFJWIAFI-IRXDYDNUSA-N -1 3 386.456 0.613 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1CN1CCOCC1 ZINC000826397654 609229208 /nfs/dbraw/zinc/22/92/08/609229208.db2.gz IFBYPRNFJWIAFI-IRXDYDNUSA-N -1 3 386.456 0.613 20 0 GCADHM CCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000825367935 609229572 /nfs/dbraw/zinc/22/95/72/609229572.db2.gz XVJHQBUXZQYVOH-BXUZGUMPSA-N -1 3 381.458 0.572 20 0 GCADHM CCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000825367935 609229573 /nfs/dbraw/zinc/22/95/73/609229573.db2.gz XVJHQBUXZQYVOH-BXUZGUMPSA-N -1 3 381.458 0.572 20 0 GCADHM CCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000825367938 609229623 /nfs/dbraw/zinc/22/96/23/609229623.db2.gz XVJHQBUXZQYVOH-SMDDNHRTSA-N -1 3 381.458 0.572 20 0 GCADHM CCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000825367938 609229624 /nfs/dbraw/zinc/22/96/24/609229624.db2.gz XVJHQBUXZQYVOH-SMDDNHRTSA-N -1 3 381.458 0.572 20 0 GCADHM COCCCOC1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826156481 609237338 /nfs/dbraw/zinc/23/73/38/609237338.db2.gz FTCYAZBCUOWAEV-INIZCTEOSA-N -1 3 375.429 0.944 20 0 GCADHM COCCCOC1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826156481 609237339 /nfs/dbraw/zinc/23/73/39/609237339.db2.gz FTCYAZBCUOWAEV-INIZCTEOSA-N -1 3 375.429 0.944 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cnc2c(c1)COCC2 ZINC000826411855 609238027 /nfs/dbraw/zinc/23/80/27/609238027.db2.gz QJACQRHZOHCPLA-UHFFFAOYSA-N -1 3 379.380 0.703 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cnc2c(c1)COCC2 ZINC000826411855 609238028 /nfs/dbraw/zinc/23/80/28/609238028.db2.gz QJACQRHZOHCPLA-UHFFFAOYSA-N -1 3 379.380 0.703 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)cn1 ZINC000826362504 609238462 /nfs/dbraw/zinc/23/84/62/609238462.db2.gz VQUIPQILINKMPT-GDBMZVCRSA-N -1 3 382.428 0.419 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000826362504 609238463 /nfs/dbraw/zinc/23/84/63/609238463.db2.gz VQUIPQILINKMPT-GDBMZVCRSA-N -1 3 382.428 0.419 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826391259 609240300 /nfs/dbraw/zinc/24/03/00/609240300.db2.gz CUFDIFGQUKUWLI-MRXNPFEDSA-N -1 3 382.380 0.081 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826391259 609240301 /nfs/dbraw/zinc/24/03/01/609240301.db2.gz CUFDIFGQUKUWLI-MRXNPFEDSA-N -1 3 382.380 0.081 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824315813 609243670 /nfs/dbraw/zinc/24/36/70/609243670.db2.gz ZNAYJBJZYRXXTD-JKSUJKDBSA-N -1 3 393.444 0.161 20 0 GCADHM CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824315813 609243671 /nfs/dbraw/zinc/24/36/71/609243671.db2.gz ZNAYJBJZYRXXTD-JKSUJKDBSA-N -1 3 393.444 0.161 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824970794 609245621 /nfs/dbraw/zinc/24/56/21/609245621.db2.gz YAOCAKIHTAGQKL-XFBWCDHKSA-N -1 3 384.440 0.663 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824970794 609245622 /nfs/dbraw/zinc/24/56/22/609245622.db2.gz YAOCAKIHTAGQKL-XFBWCDHKSA-N -1 3 384.440 0.663 20 0 GCADHM COc1ccc(OC)c([C@H](O)CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826211340 609248905 /nfs/dbraw/zinc/24/89/05/609248905.db2.gz YHJSLYJRPMKOED-NVXWUHKLSA-N -1 3 399.407 0.767 20 0 GCADHM COc1ccc(OC)c([C@H](O)CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826211340 609248906 /nfs/dbraw/zinc/24/89/06/609248906.db2.gz YHJSLYJRPMKOED-NVXWUHKLSA-N -1 3 399.407 0.767 20 0 GCADHM O=C(N[C@@H]1CCCC[C@@H]1N1CCOCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826429578 609250087 /nfs/dbraw/zinc/25/00/87/609250087.db2.gz HUEGVOHHNMALRU-IKGGRYGDSA-N -1 3 386.456 0.660 20 0 GCADHM O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826430312 609253166 /nfs/dbraw/zinc/25/31/66/609253166.db2.gz ZBABBNXIHRXIOZ-RYUDHWBXSA-N -1 3 398.345 0.570 20 0 GCADHM O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826430312 609253168 /nfs/dbraw/zinc/25/31/68/609253168.db2.gz ZBABBNXIHRXIOZ-RYUDHWBXSA-N -1 3 398.345 0.570 20 0 GCADHM CCOC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000825494254 609256139 /nfs/dbraw/zinc/25/61/39/609256139.db2.gz UPKQUHKOSUSOAU-CABCVRRESA-N -1 3 389.412 0.375 20 0 GCADHM CCOC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000825494254 609256141 /nfs/dbraw/zinc/25/61/41/609256141.db2.gz UPKQUHKOSUSOAU-CABCVRRESA-N -1 3 389.412 0.375 20 0 GCADHM Cc1nc(SCC(=O)N(C)CC(C)(CO)CO)c(-c2nnn[n-]2)c(C)c1C ZINC000826327728 609256789 /nfs/dbraw/zinc/25/67/89/609256789.db2.gz SDDHVTXFZUYNFG-UHFFFAOYSA-N -1 3 394.501 0.728 20 0 GCADHM Cc1nc(SCC(=O)N(C)CC(C)(CO)CO)c(-c2nn[n-]n2)c(C)c1C ZINC000826327728 609256791 /nfs/dbraw/zinc/25/67/91/609256791.db2.gz SDDHVTXFZUYNFG-UHFFFAOYSA-N -1 3 394.501 0.728 20 0 GCADHM Cc1cc(C(=O)N2CCOC[C@@H]2CCO)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258744 609257764 /nfs/dbraw/zinc/25/77/64/609257764.db2.gz UXVABAAFJOGUNY-HNNXBMFYSA-N -1 3 383.412 0.584 20 0 GCADHM Cc1cc(C(=O)N2CCOC[C@@H]2CCO)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258744 609257766 /nfs/dbraw/zinc/25/77/66/609257766.db2.gz UXVABAAFJOGUNY-HNNXBMFYSA-N -1 3 383.412 0.584 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826321617 609258548 /nfs/dbraw/zinc/25/85/48/609258548.db2.gz JPSMKOABKOXKQX-GOEBONIOSA-N -1 3 383.412 0.840 20 0 GCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826321617 609258551 /nfs/dbraw/zinc/25/85/51/609258551.db2.gz JPSMKOABKOXKQX-GOEBONIOSA-N -1 3 383.412 0.840 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCNC(=O)N(C)C ZINC000824206413 609259157 /nfs/dbraw/zinc/25/91/57/609259157.db2.gz DDGAMEWCQFRGTC-AWEZNQCLSA-N -1 3 375.433 0.658 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCNC(=O)N(C)C ZINC000824206413 609259159 /nfs/dbraw/zinc/25/91/59/609259159.db2.gz DDGAMEWCQFRGTC-AWEZNQCLSA-N -1 3 375.433 0.658 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000820734388 609259260 /nfs/dbraw/zinc/25/92/60/609259260.db2.gz MLUUJWMWEIHUNY-GRYCIOLGSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000820734388 609259263 /nfs/dbraw/zinc/25/92/63/609259263.db2.gz MLUUJWMWEIHUNY-GRYCIOLGSA-N -1 3 394.457 0.169 20 0 GCADHM CN(C)c1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C(N)=O)c1 ZINC000825880182 609259703 /nfs/dbraw/zinc/25/97/03/609259703.db2.gz XJQJTYINWVXCOP-HNNXBMFYSA-N -1 3 381.396 0.704 20 0 GCADHM CN(C)c1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C(N)=O)c1 ZINC000825880182 609259704 /nfs/dbraw/zinc/25/97/04/609259704.db2.gz XJQJTYINWVXCOP-HNNXBMFYSA-N -1 3 381.396 0.704 20 0 GCADHM CN(C)c1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C(N)=O)c1 ZINC000825880183 609259816 /nfs/dbraw/zinc/25/98/16/609259816.db2.gz XJQJTYINWVXCOP-OAHLLOKOSA-N -1 3 381.396 0.704 20 0 GCADHM CN(C)c1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C(N)=O)c1 ZINC000825880183 609259818 /nfs/dbraw/zinc/25/98/18/609259818.db2.gz XJQJTYINWVXCOP-OAHLLOKOSA-N -1 3 381.396 0.704 20 0 GCADHM COC[C@](C)(CCO)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826148905 609262693 /nfs/dbraw/zinc/26/26/93/609262693.db2.gz TZTPOFIZMLMAEA-SFHVURJKSA-N -1 3 385.428 0.878 20 0 GCADHM COC[C@](C)(CCO)NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826148905 609262694 /nfs/dbraw/zinc/26/26/94/609262694.db2.gz TZTPOFIZMLMAEA-SFHVURJKSA-N -1 3 385.428 0.878 20 0 GCADHM CCOCCOC1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000825599970 609265647 /nfs/dbraw/zinc/26/56/47/609265647.db2.gz UXWKTPXAFZUGKK-UHFFFAOYSA-N -1 3 377.401 0.518 20 0 GCADHM CCOCCOC1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000825599970 609265648 /nfs/dbraw/zinc/26/56/48/609265648.db2.gz UXWKTPXAFZUGKK-UHFFFAOYSA-N -1 3 377.401 0.518 20 0 GCADHM CSCC[C@H](O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826228310 609265855 /nfs/dbraw/zinc/26/58/55/609265855.db2.gz LGEKINPEVHREBL-KGLIPLIRSA-N -1 3 390.469 0.592 20 0 GCADHM CSCC[C@H](O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826228310 609265857 /nfs/dbraw/zinc/26/58/57/609265857.db2.gz LGEKINPEVHREBL-KGLIPLIRSA-N -1 3 390.469 0.592 20 0 GCADHM O=C(C=Cc1ccncn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826403226 609266059 /nfs/dbraw/zinc/26/60/59/609266059.db2.gz MXIUIPXFXXLHDM-CDVVCGDMSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(C=Cc1ccncn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826403226 609266060 /nfs/dbraw/zinc/26/60/60/609266060.db2.gz MXIUIPXFXXLHDM-CDVVCGDMSA-N -1 3 390.407 0.982 20 0 GCADHM O=Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)[nH]1 ZINC000826484269 609266514 /nfs/dbraw/zinc/26/65/14/609266514.db2.gz VYJHZVZVMNLGPK-HNNXBMFYSA-N -1 3 379.380 0.933 20 0 GCADHM O=Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)[nH]1 ZINC000826484269 609266515 /nfs/dbraw/zinc/26/65/15/609266515.db2.gz VYJHZVZVMNLGPK-HNNXBMFYSA-N -1 3 379.380 0.933 20 0 GCADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000824764285 609266840 /nfs/dbraw/zinc/26/68/40/609266840.db2.gz VIZALKPACQEDBX-CJNGLKHVSA-N -1 3 376.486 0.732 20 0 GCADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000824764285 609266841 /nfs/dbraw/zinc/26/68/41/609266841.db2.gz VIZALKPACQEDBX-CJNGLKHVSA-N -1 3 376.486 0.732 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](O)c1ccc(F)cc1 ZINC000824480123 609267181 /nfs/dbraw/zinc/26/71/81/609267181.db2.gz UBQSFYMPINFWFO-DIFFPNOSSA-N -1 3 398.398 0.974 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](O)c1ccc(F)cc1 ZINC000824480123 609267182 /nfs/dbraw/zinc/26/71/82/609267182.db2.gz UBQSFYMPINFWFO-DIFFPNOSSA-N -1 3 398.398 0.974 20 0 GCADHM CN(C)c1nc(C[S@](=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)ns1 ZINC000825883718 609268761 /nfs/dbraw/zinc/26/87/61/609268761.db2.gz LRAKRABZALBYPZ-SANMLTNESA-N -1 3 392.470 0.672 20 0 GCADHM CN(C)c1nc(C[S@](=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)ns1 ZINC000825883718 609268762 /nfs/dbraw/zinc/26/87/62/609268762.db2.gz LRAKRABZALBYPZ-SANMLTNESA-N -1 3 392.470 0.672 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826233764 609270000 /nfs/dbraw/zinc/27/00/00/609270000.db2.gz VFIXZAYJWUENTE-UHFFFAOYSA-N -1 3 387.452 0.410 20 0 GCADHM COC[C@@H](O)CN1CCN(c2oc(-c3ccco3)nc2-c2nnn[n-]2)CC1 ZINC000826152009 609272029 /nfs/dbraw/zinc/27/20/29/609272029.db2.gz OFPSQHPIPWYKPW-NSHDSACASA-N -1 3 375.389 0.244 20 0 GCADHM COC[C@@H](O)CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000826152009 609272030 /nfs/dbraw/zinc/27/20/30/609272030.db2.gz OFPSQHPIPWYKPW-NSHDSACASA-N -1 3 375.389 0.244 20 0 GCADHM O=C1[C@@H]2CSCN2C(=O)N1C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826477670 609275682 /nfs/dbraw/zinc/27/56/82/609275682.db2.gz IVZBGICDNRMOEN-LBPRGKRZSA-N -1 3 386.441 0.568 20 0 GCADHM O=C1[C@@H]2CSCN2C(=O)N1C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826477670 609275683 /nfs/dbraw/zinc/27/56/83/609275683.db2.gz IVZBGICDNRMOEN-LBPRGKRZSA-N -1 3 386.441 0.568 20 0 GCADHM O=S1(=O)CCCN1CCNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826496641 609277894 /nfs/dbraw/zinc/27/78/94/609277894.db2.gz CKCGOLMMWOBNRT-UHFFFAOYSA-N -1 3 392.420 0.639 20 0 GCADHM CCOC(=O)Nc1ccc(N2C(=O)CN(CCOC)C2=O)cc1-c1nnn[n-]1 ZINC000825522696 609277913 /nfs/dbraw/zinc/27/79/13/609277913.db2.gz JAMLWNZQZITZFL-UHFFFAOYSA-N -1 3 389.372 0.850 20 0 GCADHM CCOC(=O)Nc1ccc(N2C(=O)CN(CCOC)C2=O)cc1-c1nn[n-]n1 ZINC000825522696 609277915 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GCADHM CN1N=C(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCC1=O ZINC000826052218 609290440 /nfs/dbraw/zinc/29/04/40/609290440.db2.gz QEGLJEUMQPDXEX-UHFFFAOYSA-N -1 3 383.347 0.738 20 0 GCADHM NC(=O)c1ccc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)nc1 ZINC000826393249 609291406 /nfs/dbraw/zinc/29/14/06/609291406.db2.gz JRIGZWPEKDJCSC-UHFFFAOYSA-N -1 3 393.342 0.938 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826439404 609292654 /nfs/dbraw/zinc/29/26/54/609292654.db2.gz SVZWRIGCJVSJRW-UHFFFAOYSA-N -1 3 398.876 0.969 20 0 GCADHM O=C(NCCS(=O)(=O)NCC1CCC1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826439404 609292656 /nfs/dbraw/zinc/29/26/56/609292656.db2.gz SVZWRIGCJVSJRW-UHFFFAOYSA-N -1 3 398.876 0.969 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)C[C@H](O)C(F)(F)F ZINC000826174391 609295316 /nfs/dbraw/zinc/29/53/16/609295316.db2.gz UYGMZSSLKGVNMR-NSHDSACASA-N -1 3 375.307 0.636 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)C[C@H](O)C(F)(F)F ZINC000826174391 609295318 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ZINC000826129632 609369095 /nfs/dbraw/zinc/36/90/95/609369095.db2.gz XCSBWQKIDCCTHD-RYUDHWBXSA-N -1 3 392.416 0.667 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826129509 609369099 /nfs/dbraw/zinc/36/90/99/609369099.db2.gz UEBQNTZPZATTOD-CABCVRRESA-N -1 3 388.428 0.848 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826129509 609369100 /nfs/dbraw/zinc/36/91/00/609369100.db2.gz UEBQNTZPZATTOD-CABCVRRESA-N -1 3 388.428 0.848 20 0 GCADHM CNC(=O)[C@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000826061017 609387165 /nfs/dbraw/zinc/38/71/65/609387165.db2.gz YMIOAIDUOBNMLI-GFCCVEGCSA-N -1 3 375.339 0.644 20 0 GCADHM CNC(=O)[C@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000826061017 609387167 /nfs/dbraw/zinc/38/71/67/609387167.db2.gz YMIOAIDUOBNMLI-GFCCVEGCSA-N -1 3 375.339 0.644 20 0 GCADHM O=C(CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)NCCO ZINC000826412073 609388670 /nfs/dbraw/zinc/38/86/70/609388670.db2.gz AKCCPBRUGMAIOZ-UHFFFAOYSA-N -1 3 382.380 0.497 20 0 GCADHM O=C(CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)NCCO ZINC000826412073 609388673 /nfs/dbraw/zinc/38/86/73/609388673.db2.gz AKCCPBRUGMAIOZ-UHFFFAOYSA-N -1 3 382.380 0.497 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826401745 609389180 /nfs/dbraw/zinc/38/91/80/609389180.db2.gz FYSIQGYDXHFWKU-RTRPANQVSA-N -1 3 398.467 0.830 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826401745 609389182 /nfs/dbraw/zinc/38/91/82/609389182.db2.gz FYSIQGYDXHFWKU-RTRPANQVSA-N -1 3 398.467 0.830 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000824634597 609397597 /nfs/dbraw/zinc/39/75/97/609397597.db2.gz VXYIBVDWCHPNJF-COPLHBTASA-N -1 3 396.448 0.740 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000824634597 609397600 /nfs/dbraw/zinc/39/76/00/609397600.db2.gz VXYIBVDWCHPNJF-COPLHBTASA-N -1 3 396.448 0.740 20 0 GCADHM CC[C@](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)(C(N)=O)C(C)C ZINC000825147327 609401710 /nfs/dbraw/zinc/40/17/10/609401710.db2.gz IGGTVBXZTHIJML-OAHLLOKOSA-N -1 3 384.437 0.715 20 0 GCADHM COC[C@@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C(=O)OC ZINC000826150484 609404250 /nfs/dbraw/zinc/40/42/50/609404250.db2.gz FPFSXLXPKFRMNV-CYBMUJFWSA-N -1 3 390.400 0.280 20 0 GCADHM COC[C@@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C(=O)OC ZINC000826150484 609404252 /nfs/dbraw/zinc/40/42/52/609404252.db2.gz FPFSXLXPKFRMNV-CYBMUJFWSA-N -1 3 390.400 0.280 20 0 GCADHM COC[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C(=O)OC ZINC000826150349 609404328 /nfs/dbraw/zinc/40/43/28/609404328.db2.gz BZELEFLFZJBMCA-NSHDSACASA-N -1 3 394.457 0.583 20 0 GCADHM COC[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C(=O)OC ZINC000826150349 609404329 /nfs/dbraw/zinc/40/43/29/609404329.db2.gz BZELEFLFZJBMCA-NSHDSACASA-N -1 3 394.457 0.583 20 0 GCADHM O=C(Nc1ccncc1I)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826459005 609405663 /nfs/dbraw/zinc/40/56/63/609405663.db2.gz QTSMFOKFQWFOGH-UHFFFAOYSA-N -1 3 381.137 0.869 20 0 GCADHM O=C(Nc1ccncc1I)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826459005 609405664 /nfs/dbraw/zinc/40/56/64/609405664.db2.gz QTSMFOKFQWFOGH-UHFFFAOYSA-N -1 3 381.137 0.869 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000826256444 609414677 /nfs/dbraw/zinc/41/46/77/609414677.db2.gz JZFSPTAEKRTOPV-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826256444 609414679 /nfs/dbraw/zinc/41/46/79/609414679.db2.gz JZFSPTAEKRTOPV-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826256355 609414686 /nfs/dbraw/zinc/41/46/86/609414686.db2.gz FISKVIXWOLLLPK-NSHDSACASA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826256355 609414687 /nfs/dbraw/zinc/41/46/87/609414687.db2.gz FISKVIXWOLLLPK-NSHDSACASA-N -1 3 381.396 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ZINC000824284025 609422855 /nfs/dbraw/zinc/42/28/55/609422855.db2.gz AKXBAJNVEATKBG-AWEZNQCLSA-N -1 3 391.457 0.763 20 0 GCADHM CC(C)Cn1ncnc1CS(=O)(=O)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824284025 609422858 /nfs/dbraw/zinc/42/28/58/609422858.db2.gz AKXBAJNVEATKBG-AWEZNQCLSA-N -1 3 391.457 0.763 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NN1Cc2ccccc2C1=O ZINC000826175199 609426372 /nfs/dbraw/zinc/42/63/72/609426372.db2.gz WQTRGCBTNLPLOQ-UHFFFAOYSA-N -1 3 380.364 0.941 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NN1Cc2ccccc2C1=O ZINC000826175199 609426374 /nfs/dbraw/zinc/42/63/74/609426374.db2.gz WQTRGCBTNLPLOQ-UHFFFAOYSA-N -1 3 380.364 0.941 20 0 GCADHM CN1CCN(C(=O)c2ccccc2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826038779 609429194 /nfs/dbraw/zinc/42/91/94/609429194.db2.gz XOQWDMZXLBDXOR-UHFFFAOYSA-N -1 3 380.412 0.835 20 0 GCADHM O=C(CNC(=O)NCCSCc1ccccc1-c1nnn[n-]1)NCC1CC1 ZINC000826411573 609434252 /nfs/dbraw/zinc/43/42/52/609434252.db2.gz DVFNMQQVHVDCLZ-UHFFFAOYSA-N -1 3 389.485 0.925 20 0 GCADHM O=C(CNC(=O)NCCSCc1ccccc1-c1nn[n-]n1)NCC1CC1 ZINC000826411573 609434255 /nfs/dbraw/zinc/43/42/55/609434255.db2.gz DVFNMQQVHVDCLZ-UHFFFAOYSA-N -1 3 389.485 0.925 20 0 GCADHM NC(Cn1cccn1)=NO[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826393901 609434339 /nfs/dbraw/zinc/43/43/39/609434339.db2.gz OHGRFQKHHCPKPN-CQSZACIVSA-N -1 3 381.400 0.757 20 0 GCADHM NC(Cn1cccn1)=NO[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826393901 609434342 /nfs/dbraw/zinc/43/43/42/609434342.db2.gz OHGRFQKHHCPKPN-CQSZACIVSA-N -1 3 381.400 0.757 20 0 GCADHM O=C(Cc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1)N1CCOCC1 ZINC000826453470 609435721 /nfs/dbraw/zinc/43/57/21/609435721.db2.gz LUBAYGSIQATLFG-UHFFFAOYSA-N -1 3 381.396 0.848 20 0 GCADHM O=C(Cc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1)N1CCOCC1 ZINC000826453470 609435723 /nfs/dbraw/zinc/43/57/23/609435723.db2.gz LUBAYGSIQATLFG-UHFFFAOYSA-N -1 3 381.396 0.848 20 0 GCADHM COC(=O)CNC(=O)Cc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826138251 609437329 /nfs/dbraw/zinc/43/73/29/609437329.db2.gz MGRCFNGCLSGQNK-UHFFFAOYSA-N -1 3 383.368 0.279 20 0 GCADHM COC(=O)CNC(=O)Cc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826138251 609437332 /nfs/dbraw/zinc/43/73/32/609437332.db2.gz MGRCFNGCLSGQNK-UHFFFAOYSA-N -1 3 383.368 0.279 20 0 GCADHM CN(Cc1ncc(Cl)n1C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000825992287 609440208 /nfs/dbraw/zinc/44/02/08/609440208.db2.gz SZKUEZDNYCLBMA-UHFFFAOYSA-N -1 3 390.839 0.902 20 0 GCADHM CN(Cc1ncc(Cl)n1C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000825992287 609440209 /nfs/dbraw/zinc/44/02/09/609440209.db2.gz SZKUEZDNYCLBMA-UHFFFAOYSA-N -1 3 390.839 0.902 20 0 GCADHM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)[C@@]1(CO)CCOC1 ZINC000825892362 609442237 /nfs/dbraw/zinc/44/22/37/609442237.db2.gz LVYMMOVEJVBJDC-GOSISDBHSA-N -1 3 398.427 0.074 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000824148558 609445189 /nfs/dbraw/zinc/44/51/89/609445189.db2.gz ZTODTATYZUWOIZ-SNVBAGLBSA-N -1 3 387.404 0.191 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000824148558 609445191 /nfs/dbraw/zinc/44/51/91/609445191.db2.gz ZTODTATYZUWOIZ-SNVBAGLBSA-N -1 3 387.404 0.191 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@H](Cn2cncn2)C1 ZINC000826494524 609447450 /nfs/dbraw/zinc/44/74/50/609447450.db2.gz GNRKXCJSLWYXJB-LLVKDONJSA-N -1 3 392.420 0.698 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@H](Cn2cncn2)C1 ZINC000826494524 609447451 /nfs/dbraw/zinc/44/74/51/609447451.db2.gz GNRKXCJSLWYXJB-LLVKDONJSA-N -1 3 392.420 0.698 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000826469051 609447627 /nfs/dbraw/zinc/44/76/27/609447627.db2.gz SGTKGSBPHOOWKJ-NWDGAFQWSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000826469051 609447630 /nfs/dbraw/zinc/44/76/30/609447630.db2.gz SGTKGSBPHOOWKJ-NWDGAFQWSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000826399157 609451557 /nfs/dbraw/zinc/45/15/57/609451557.db2.gz OAAWSORIZIAWLP-LLVKDONJSA-N -1 3 379.471 0.285 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CSC[C@@H]1C(=O)N1CCSCC1 ZINC000826399157 609451559 /nfs/dbraw/zinc/45/15/59/609451559.db2.gz OAAWSORIZIAWLP-LLVKDONJSA-N -1 3 379.471 0.285 20 0 GCADHM Cn1ccc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362612 609459741 /nfs/dbraw/zinc/45/97/41/609459741.db2.gz AMFIMSXTDGILMW-CQSZACIVSA-N -1 3 398.452 0.683 20 0 GCADHM Cn1ccc(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362612 609459743 /nfs/dbraw/zinc/45/97/43/609459743.db2.gz AMFIMSXTDGILMW-CQSZACIVSA-N -1 3 398.452 0.683 20 0 GCADHM O=C(c1ccccn1)N1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826474269 609460696 /nfs/dbraw/zinc/46/06/96/609460696.db2.gz IWUUKHFKMWVMEX-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(c1ccccn1)N1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826474269 609460698 /nfs/dbraw/zinc/46/06/98/609460698.db2.gz IWUUKHFKMWVMEX-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM COC(=O)[C@H]1CC(=O)N(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000826129711 609461879 /nfs/dbraw/zinc/46/18/79/609461879.db2.gz YWXJLUVTMZDSGD-LSDHHAIUSA-N -1 3 386.412 0.219 20 0 GCADHM COC(=O)[C@H]1CC(=O)N(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000826129711 609461882 /nfs/dbraw/zinc/46/18/82/609461882.db2.gz YWXJLUVTMZDSGD-LSDHHAIUSA-N -1 3 386.412 0.219 20 0 GCADHM CS(=O)(=O)NC[C@H]1CCCN(c2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC000826223687 609462131 /nfs/dbraw/zinc/46/21/31/609462131.db2.gz WIBWLXJAKDHDHK-LLVKDONJSA-N -1 3 376.446 0.280 20 0 GCADHM CS(=O)(=O)NC[C@H]1CCCN(c2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC000826223687 609462133 /nfs/dbraw/zinc/46/21/33/609462133.db2.gz WIBWLXJAKDHDHK-LLVKDONJSA-N -1 3 376.446 0.280 20 0 GCADHM CN1CC[C@H](C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826022358 609462776 /nfs/dbraw/zinc/46/27/76/609462776.db2.gz KTHGTKSJAHBVBC-ZFWWWQNUSA-N -1 3 398.423 0.774 20 0 GCADHM CN1CC[C@H](C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826022358 609462778 /nfs/dbraw/zinc/46/27/78/609462778.db2.gz KTHGTKSJAHBVBC-ZFWWWQNUSA-N -1 3 398.423 0.774 20 0 GCADHM O=C(CN1CCCC1=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826410767 609463435 /nfs/dbraw/zinc/46/34/35/609463435.db2.gz XYBBQWLFYQGBDN-AWEZNQCLSA-N -1 3 384.396 0.528 20 0 GCADHM O=C(CN1CCCC1=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826410767 609463437 /nfs/dbraw/zinc/46/34/37/609463437.db2.gz XYBBQWLFYQGBDN-AWEZNQCLSA-N -1 3 384.396 0.528 20 0 GCADHM O=C(CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)NCC1CC1 ZINC000826411808 609463538 /nfs/dbraw/zinc/46/35/38/609463538.db2.gz OJHMEAABSQIMKD-UHFFFAOYSA-N -1 3 384.444 0.225 20 0 GCADHM O=C(CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)NCC1CC1 ZINC000826411808 609463539 /nfs/dbraw/zinc/46/35/39/609463539.db2.gz OJHMEAABSQIMKD-UHFFFAOYSA-N -1 3 384.444 0.225 20 0 GCADHM COCCOCC(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826160552 609464582 /nfs/dbraw/zinc/46/45/82/609464582.db2.gz WOQXQHIALZKTJF-AWEZNQCLSA-N -1 3 375.385 0.568 20 0 GCADHM COCCOCC(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826160552 609464584 /nfs/dbraw/zinc/46/45/84/609464584.db2.gz WOQXQHIALZKTJF-AWEZNQCLSA-N -1 3 375.385 0.568 20 0 GCADHM CCN1C[C@@H](C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000825444407 609464591 /nfs/dbraw/zinc/46/45/91/609464591.db2.gz MQZSGMWUPOMDDF-ZFWWWQNUSA-N -1 3 398.423 0.774 20 0 GCADHM CCN1C[C@@H](C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000825444407 609464592 /nfs/dbraw/zinc/46/45/92/609464592.db2.gz MQZSGMWUPOMDDF-ZFWWWQNUSA-N -1 3 398.423 0.774 20 0 GCADHM Cn1cc(C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1=O ZINC000826358651 609465421 /nfs/dbraw/zinc/46/54/21/609465421.db2.gz CACMIUXKOJDLDD-HNNXBMFYSA-N -1 3 394.391 0.918 20 0 GCADHM Cn1cc(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1=O ZINC000826358651 609465422 /nfs/dbraw/zinc/46/54/22/609465422.db2.gz CACMIUXKOJDLDD-HNNXBMFYSA-N -1 3 394.391 0.918 20 0 GCADHM Cn1ccc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1=O ZINC000826363065 609465711 /nfs/dbraw/zinc/46/57/11/609465711.db2.gz VMXMFSMKNCSGEC-OAHLLOKOSA-N -1 3 394.391 0.918 20 0 GCADHM Cn1ccc(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1=O ZINC000826363065 609465714 /nfs/dbraw/zinc/46/57/14/609465714.db2.gz VMXMFSMKNCSGEC-OAHLLOKOSA-N -1 3 394.391 0.918 20 0 GCADHM O=C(O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CCC(=O)NC1 ZINC000826479897 609466248 /nfs/dbraw/zinc/46/62/48/609466248.db2.gz LPKBXYYEVQMZJP-JSGCOSHPSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CCC(=O)NC1 ZINC000826479897 609466249 /nfs/dbraw/zinc/46/62/49/609466249.db2.gz LPKBXYYEVQMZJP-JSGCOSHPSA-N -1 3 384.396 0.432 20 0 GCADHM CNC(=O)C1(C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC1 ZINC000826052222 609467152 /nfs/dbraw/zinc/46/71/52/609467152.db2.gz QISHYVBDBQOSGS-CQSZACIVSA-N -1 3 398.423 0.822 20 0 GCADHM CNC(=O)C1(C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC1 ZINC000826052222 609467154 /nfs/dbraw/zinc/46/71/54/609467154.db2.gz QISHYVBDBQOSGS-CQSZACIVSA-N -1 3 398.423 0.822 20 0 GCADHM Cc1nc(SCC(=O)NN2CC(=O)N(C)C2=O)c(-c2nnn[n-]2)c(C)c1C ZINC000826327490 609468625 /nfs/dbraw/zinc/46/86/25/609468625.db2.gz JTKWZZITCFLYPL-UHFFFAOYSA-N -1 3 390.429 0.204 20 0 GCADHM Cc1nc(SCC(=O)NN2CC(=O)N(C)C2=O)c(-c2nn[n-]n2)c(C)c1C ZINC000826327490 609468627 /nfs/dbraw/zinc/46/86/27/609468627.db2.gz JTKWZZITCFLYPL-UHFFFAOYSA-N -1 3 390.429 0.204 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)CSc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000824706977 609471976 /nfs/dbraw/zinc/47/19/76/609471976.db2.gz MWLITHMGJHOTRP-SNVBAGLBSA-N -1 3 386.441 0.687 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)CSc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000824706977 609471977 /nfs/dbraw/zinc/47/19/77/609471977.db2.gz MWLITHMGJHOTRP-SNVBAGLBSA-N -1 3 386.441 0.687 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCCn1nc2ccccn2c1=O ZINC000826161917 609482376 /nfs/dbraw/zinc/48/23/76/609482376.db2.gz FLYMPCXTZOJSRP-UHFFFAOYSA-N -1 3 396.411 0.813 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCCn1nc2ccccn2c1=O ZINC000826161917 609482377 /nfs/dbraw/zinc/48/23/77/609482377.db2.gz FLYMPCXTZOJSRP-UHFFFAOYSA-N -1 3 396.411 0.813 20 0 GCADHM COCc1nc([C@@H]2COCCN2Cc2ccc(OC)c(-c3nnn[n-]3)c2)no1 ZINC000826165251 609494874 /nfs/dbraw/zinc/49/48/74/609494874.db2.gz MAUZDCMZDXARFQ-ZDUSSCGKSA-N -1 3 387.400 0.978 20 0 GCADHM COCc1nc([C@@H]2COCCN2Cc2ccc(OC)c(-c3nn[n-]n3)c2)no1 ZINC000826165251 609494875 /nfs/dbraw/zinc/49/48/75/609494875.db2.gz MAUZDCMZDXARFQ-ZDUSSCGKSA-N -1 3 387.400 0.978 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)no1 ZINC000826324875 609497221 /nfs/dbraw/zinc/49/72/21/609497221.db2.gz HQIQJPMCQCSDMX-NSHDSACASA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)no1 ZINC000826324875 609497223 /nfs/dbraw/zinc/49/72/23/609497223.db2.gz HQIQJPMCQCSDMX-NSHDSACASA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)no1 ZINC000826325052 609497388 /nfs/dbraw/zinc/49/73/88/609497388.db2.gz MJDAYOFKVOVKFL-LBPRGKRZSA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)no1 ZINC000826325192 609497415 /nfs/dbraw/zinc/49/74/15/609497415.db2.gz QGRQLUGDTPLIFR-LBPRGKRZSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)no1 ZINC000826325192 609497417 /nfs/dbraw/zinc/49/74/17/609497417.db2.gz QGRQLUGDTPLIFR-LBPRGKRZSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@H]2COCCN2CC(=O)NCc2cccc(-c3nnn[n-]3)c2)no1 ZINC000826325172 609497425 /nfs/dbraw/zinc/49/74/25/609497425.db2.gz PPVUXEDBUNVUNB-CQSZACIVSA-N -1 3 384.400 0.248 20 0 GCADHM Cc1nc([C@H]2COCCN2CC(=O)NCc2cccc(-c3nn[n-]n3)c2)no1 ZINC000826325172 609497427 /nfs/dbraw/zinc/49/74/27/609497427.db2.gz PPVUXEDBUNVUNB-CQSZACIVSA-N -1 3 384.400 0.248 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000826325004 609497478 /nfs/dbraw/zinc/49/74/78/609497478.db2.gz LGGDTGRIMZKJSZ-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000826325004 609497480 /nfs/dbraw/zinc/49/74/80/609497480.db2.gz LGGDTGRIMZKJSZ-GFCCVEGCSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000826325413 609497757 /nfs/dbraw/zinc/49/77/57/609497757.db2.gz WSNZHNAOFXUTLL-NSHDSACASA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000826325413 609497760 /nfs/dbraw/zinc/49/77/60/609497760.db2.gz WSNZHNAOFXUTLL-NSHDSACASA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)CCO2)no1 ZINC000826325496 609498066 /nfs/dbraw/zinc/49/80/66/609498066.db2.gz ZPDTVOWSQOXBKR-NSHDSACASA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)CCO2)no1 ZINC000826325496 609498068 /nfs/dbraw/zinc/49/80/68/609498068.db2.gz ZPDTVOWSQOXBKR-NSHDSACASA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000826325412 609498287 /nfs/dbraw/zinc/49/82/87/609498287.db2.gz WSNZHNAOFXUTLL-LLVKDONJSA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000826325412 609498288 /nfs/dbraw/zinc/49/82/88/609498288.db2.gz WSNZHNAOFXUTLL-LLVKDONJSA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)CCO2)no1 ZINC000826325363 609498348 /nfs/dbraw/zinc/49/83/48/609498348.db2.gz VFTHJSNJUWHCNT-LLVKDONJSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@H]2CN(S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)CCO2)no1 ZINC000826325363 609498350 /nfs/dbraw/zinc/49/83/50/609498350.db2.gz VFTHJSNJUWHCNT-LLVKDONJSA-N -1 3 391.413 0.629 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824364374 609498980 /nfs/dbraw/zinc/49/89/80/609498980.db2.gz CWRHVQINLGJDDZ-GFCCVEGCSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824364374 609498982 /nfs/dbraw/zinc/49/89/82/609498982.db2.gz CWRHVQINLGJDDZ-GFCCVEGCSA-N -1 3 388.457 0.875 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000825883986 609499773 /nfs/dbraw/zinc/49/97/73/609499773.db2.gz TYZLBQHSVYTJGH-UHFFFAOYSA-N -1 3 380.416 0.080 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000825883986 609499774 /nfs/dbraw/zinc/49/97/74/609499774.db2.gz TYZLBQHSVYTJGH-UHFFFAOYSA-N -1 3 380.416 0.080 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)no1 ZINC000826325276 609503401 /nfs/dbraw/zinc/50/34/01/609503401.db2.gz SLWOUGCXOMQTFW-MFKMUULPSA-N -1 3 385.384 0.926 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)no1 ZINC000826325276 609503402 /nfs/dbraw/zinc/50/34/02/609503402.db2.gz SLWOUGCXOMQTFW-MFKMUULPSA-N -1 3 385.384 0.926 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)c3ncc(-c4nnn[n-]4)cc3Cl)CCO2)no1 ZINC000826324886 609503418 /nfs/dbraw/zinc/50/34/18/609503418.db2.gz HXISUODDCXPNAC-SNVBAGLBSA-N -1 3 376.764 0.820 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)c3ncc(-c4nn[n-]n4)cc3Cl)CCO2)no1 ZINC000826324886 609503419 /nfs/dbraw/zinc/50/34/19/609503419.db2.gz HXISUODDCXPNAC-SNVBAGLBSA-N -1 3 376.764 0.820 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CCO2)no1 ZINC000826325399 609503752 /nfs/dbraw/zinc/50/37/52/609503752.db2.gz WIYRFXHRNUPZBW-YGRLFVJLSA-N -1 3 385.384 0.926 20 0 GCADHM CCOC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825499388 609505951 /nfs/dbraw/zinc/50/59/51/609505951.db2.gz MECBNVMHQYQKTK-AWEZNQCLSA-N -1 3 379.442 0.972 20 0 GCADHM CCOC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825499388 609505952 /nfs/dbraw/zinc/50/59/52/609505952.db2.gz MECBNVMHQYQKTK-AWEZNQCLSA-N -1 3 379.442 0.972 20 0 GCADHM NC(=O)[C@H](N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389491 609508982 /nfs/dbraw/zinc/50/89/82/609508982.db2.gz ZPXHSSPTNSOKQQ-HZPDHXFCSA-N -1 3 392.423 0.573 20 0 GCADHM NC(=O)[C@H](N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389491 609508983 /nfs/dbraw/zinc/50/89/83/609508983.db2.gz ZPXHSSPTNSOKQQ-HZPDHXFCSA-N -1 3 392.423 0.573 20 0 GCADHM O=C(NC[C@H]1CCCO1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826435571 609509112 /nfs/dbraw/zinc/50/91/12/609509112.db2.gz RDVNDWSYZWLZAS-CABCVRRESA-N -1 3 385.428 0.840 20 0 GCADHM O=C(NC[C@H]1CCCO1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826435571 609509113 /nfs/dbraw/zinc/50/91/13/609509113.db2.gz RDVNDWSYZWLZAS-CABCVRRESA-N -1 3 385.428 0.840 20 0 GCADHM O=C(NCCn1ccnc1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826440500 609509306 /nfs/dbraw/zinc/50/93/06/609509306.db2.gz OJMJOUNHZRPCQG-HNNXBMFYSA-N -1 3 395.427 0.558 20 0 GCADHM COCCNC(=S)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826160244 609510730 /nfs/dbraw/zinc/51/07/30/609510730.db2.gz KRUVEVRHKKIYMU-CYBMUJFWSA-N -1 3 375.458 0.473 20 0 GCADHM COCCNC(=S)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826160244 609510732 /nfs/dbraw/zinc/51/07/32/609510732.db2.gz KRUVEVRHKKIYMU-CYBMUJFWSA-N -1 3 375.458 0.473 20 0 GCADHM COC[C@@H](C)NC(=S)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826149465 609510830 /nfs/dbraw/zinc/51/08/30/609510830.db2.gz IBJHSBWQPRYPJY-RISCZKNCSA-N -1 3 389.485 0.861 20 0 GCADHM COC[C@@H](C)NC(=S)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826149465 609510831 /nfs/dbraw/zinc/51/08/31/609510831.db2.gz IBJHSBWQPRYPJY-RISCZKNCSA-N -1 3 389.485 0.861 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825395474 609512025 /nfs/dbraw/zinc/51/20/25/609512025.db2.gz PTDWCIBXTNQDAV-ZDUSSCGKSA-N -1 3 385.471 0.206 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825395474 609512027 /nfs/dbraw/zinc/51/20/27/609512027.db2.gz PTDWCIBXTNQDAV-ZDUSSCGKSA-N -1 3 385.471 0.206 20 0 GCADHM COCc1nc(CN2C(=O)N[C@@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)no1 ZINC000826165181 609512278 /nfs/dbraw/zinc/51/22/78/609512278.db2.gz JELWHRCHNVVLEW-INIZCTEOSA-N -1 3 384.356 0.363 20 0 GCADHM COCc1nc(CN2C(=O)N[C@@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)no1 ZINC000826165181 609512279 /nfs/dbraw/zinc/51/22/79/609512279.db2.gz JELWHRCHNVVLEW-INIZCTEOSA-N -1 3 384.356 0.363 20 0 GCADHM Cc1cc(C(=O)N(C)CC(=O)NC2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826256800 609513085 /nfs/dbraw/zinc/51/30/85/609513085.db2.gz APNMXNLFBDKPFX-UHFFFAOYSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1cc(C(=O)N(C)CC(=O)NC2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826256800 609513086 /nfs/dbraw/zinc/51/30/86/609513086.db2.gz APNMXNLFBDKPFX-UHFFFAOYSA-N -1 3 380.412 0.711 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)NCCc1nnc2ccccn21 ZINC000826486343 609513781 /nfs/dbraw/zinc/51/37/81/609513781.db2.gz ZCSKEBRJCFKXPS-UHFFFAOYSA-N -1 3 384.425 0.572 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)NCCc1nnc2ccccn21 ZINC000826486343 609513785 /nfs/dbraw/zinc/51/37/85/609513785.db2.gz ZCSKEBRJCFKXPS-UHFFFAOYSA-N -1 3 384.425 0.572 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000824738463 609514483 /nfs/dbraw/zinc/51/44/83/609514483.db2.gz PAKSPWRTMBLLSE-BXUZGUMPSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000824744936 609514701 /nfs/dbraw/zinc/51/47/01/609514701.db2.gz JPQPUKSEIFQNMR-NEPJUHHUSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000824744936 609514703 /nfs/dbraw/zinc/51/47/03/609514703.db2.gz JPQPUKSEIFQNMR-NEPJUHHUSA-N -1 3 379.442 0.718 20 0 GCADHM CCNC(=O)CN(CC)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825471554 609519575 /nfs/dbraw/zinc/51/95/75/609519575.db2.gz WAJCGLQFZSFBBP-UHFFFAOYSA-N -1 3 382.428 0.959 20 0 GCADHM CCNC(=O)CN(CC)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825471554 609519578 /nfs/dbraw/zinc/51/95/78/609519578.db2.gz WAJCGLQFZSFBBP-UHFFFAOYSA-N -1 3 382.428 0.959 20 0 GCADHM Cc1c(Cl)cnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826238078 609534472 /nfs/dbraw/zinc/53/44/72/609534472.db2.gz VVFSHSCURNJWID-JTQLQIEISA-N -1 3 385.881 0.989 20 0 GCADHM Cc1c(Cl)cnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826238078 609534474 /nfs/dbraw/zinc/53/44/74/609534474.db2.gz VVFSHSCURNJWID-JTQLQIEISA-N -1 3 385.881 0.989 20 0 GCADHM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824419647 609537784 /nfs/dbraw/zinc/53/77/84/609537784.db2.gz BBUASXJZPNUNGL-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM C[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824419647 609537785 /nfs/dbraw/zinc/53/77/85/609537785.db2.gz BBUASXJZPNUNGL-JTQLQIEISA-N -1 3 386.865 0.519 20 0 GCADHM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826059972 609538626 /nfs/dbraw/zinc/53/86/26/609538626.db2.gz DHHMWVNTTAUCGL-NSHDSACASA-N -1 3 384.849 0.809 20 0 GCADHM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826059972 609538628 /nfs/dbraw/zinc/53/86/28/609538628.db2.gz DHHMWVNTTAUCGL-NSHDSACASA-N -1 3 384.849 0.809 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1C ZINC000825884161 609545703 /nfs/dbraw/zinc/54/57/03/609545703.db2.gz UAEWLBVAEDUBBW-UHFFFAOYSA-N -1 3 396.864 0.798 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1C ZINC000825884161 609545704 /nfs/dbraw/zinc/54/57/04/609545704.db2.gz UAEWLBVAEDUBBW-UHFFFAOYSA-N -1 3 396.864 0.798 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826389974 609548023 /nfs/dbraw/zinc/54/80/23/609548023.db2.gz MRDZDFPZVJRKEC-PSASIEDQSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826389974 609548026 /nfs/dbraw/zinc/54/80/26/609548026.db2.gz MRDZDFPZVJRKEC-PSASIEDQSA-N -1 3 384.849 0.843 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000824707139 609548846 /nfs/dbraw/zinc/54/88/46/609548846.db2.gz OCEORPBGNSKKPH-SNVBAGLBSA-N -1 3 386.865 0.207 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000824707139 609548847 /nfs/dbraw/zinc/54/88/47/609548847.db2.gz OCEORPBGNSKKPH-SNVBAGLBSA-N -1 3 386.865 0.207 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000823982301 609549659 /nfs/dbraw/zinc/54/96/59/609549659.db2.gz ZMEMMSRLYJWKLB-UHFFFAOYSA-N -1 3 392.851 0.716 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000823982301 609549663 /nfs/dbraw/zinc/54/96/63/609549663.db2.gz ZMEMMSRLYJWKLB-UHFFFAOYSA-N -1 3 392.851 0.716 20 0 GCADHM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC000824295870 609553018 /nfs/dbraw/zinc/55/30/18/609553018.db2.gz AUOOWLXOPZDHCE-SNVBAGLBSA-N -1 3 398.832 0.334 20 0 GCADHM CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000824295870 609553021 /nfs/dbraw/zinc/55/30/21/609553021.db2.gz AUOOWLXOPZDHCE-SNVBAGLBSA-N -1 3 398.832 0.334 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826389641 609554691 /nfs/dbraw/zinc/55/46/91/609554691.db2.gz DHUASFVCFDVVPZ-KOLCDFICSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826389641 609554694 /nfs/dbraw/zinc/55/46/94/609554694.db2.gz DHUASFVCFDVVPZ-KOLCDFICSA-N -1 3 384.849 0.843 20 0 GCADHM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826480231 609554873 /nfs/dbraw/zinc/55/48/73/609554873.db2.gz VFDQWJVIFOJKOK-ZJUUUORDSA-N -1 3 382.833 0.562 20 0 GCADHM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826480231 609554875 /nfs/dbraw/zinc/55/48/75/609554875.db2.gz VFDQWJVIFOJKOK-ZJUUUORDSA-N -1 3 382.833 0.562 20 0 GCADHM O=C1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CN1C1CC1 ZINC000826478730 609554880 /nfs/dbraw/zinc/55/48/80/609554880.db2.gz ISFYKAQUOHCCER-VIFPVBQESA-N -1 3 382.833 0.562 20 0 GCADHM O=C1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CN1C1CC1 ZINC000826478730 609554882 /nfs/dbraw/zinc/55/48/82/609554882.db2.gz ISFYKAQUOHCCER-VIFPVBQESA-N -1 3 382.833 0.562 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)CS(C)(=O)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258709 609558031 /nfs/dbraw/zinc/55/80/31/609558031.db2.gz TUBPMWHPGNAJFA-SNVBAGLBSA-N -1 3 389.441 0.524 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)CS(C)(=O)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258709 609558032 /nfs/dbraw/zinc/55/80/32/609558032.db2.gz TUBPMWHPGNAJFA-SNVBAGLBSA-N -1 3 389.441 0.524 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)[C@@H]2CCCC[C@@H]2N1 ZINC000826481101 609558799 /nfs/dbraw/zinc/55/87/99/609558799.db2.gz HQPRIXLNCIJWDP-NWDGAFQWSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)[C@@H]2CCCC[C@@H]2N1 ZINC000826481101 609558801 /nfs/dbraw/zinc/55/88/01/609558801.db2.gz HQPRIXLNCIJWDP-NWDGAFQWSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)CCN12 ZINC000826483612 609563799 /nfs/dbraw/zinc/56/37/99/609563799.db2.gz TYBTVBOORSEXON-JTQLQIEISA-N -1 3 398.832 0.735 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)CCN12 ZINC000826483612 609563801 /nfs/dbraw/zinc/56/38/01/609563801.db2.gz TYBTVBOORSEXON-JTQLQIEISA-N -1 3 398.832 0.735 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825248723 609564373 /nfs/dbraw/zinc/56/43/73/609564373.db2.gz XOHAGHYFXCVCHW-LLVKDONJSA-N -1 3 384.849 0.809 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825248723 609564374 /nfs/dbraw/zinc/56/43/74/609564374.db2.gz XOHAGHYFXCVCHW-LLVKDONJSA-N -1 3 384.849 0.809 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(c3nccn(C)c3=O)CC2)c1-c1nnn[n-]1 ZINC000826238056 609566078 /nfs/dbraw/zinc/56/60/78/609566078.db2.gz UWXBRXVVOLNIAH-UHFFFAOYSA-N -1 3 387.835 0.644 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(c3nccn(C)c3=O)CC2)c1-c1nn[n-]n1 ZINC000826238056 609566081 /nfs/dbraw/zinc/56/60/81/609566081.db2.gz UWXBRXVVOLNIAH-UHFFFAOYSA-N -1 3 387.835 0.644 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1-c1nnn[n-]1 ZINC000826301514 609571206 /nfs/dbraw/zinc/57/12/06/609571206.db2.gz HELAORUDSWLFGO-UONOGXRCSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1-c1nn[n-]n1 ZINC000826301514 609571207 /nfs/dbraw/zinc/57/12/07/609571207.db2.gz HELAORUDSWLFGO-UONOGXRCSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1-c1nnn[n-]1 ZINC000826301512 609571441 /nfs/dbraw/zinc/57/14/41/609571441.db2.gz HELAORUDSWLFGO-KBPBESRZSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c1-c1nn[n-]n1 ZINC000826301512 609571444 /nfs/dbraw/zinc/57/14/44/609571444.db2.gz HELAORUDSWLFGO-KBPBESRZSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1-c1nnn[n-]1 ZINC000826301513 609571730 /nfs/dbraw/zinc/57/17/30/609571730.db2.gz HELAORUDSWLFGO-KGLIPLIRSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c1-c1nn[n-]n1 ZINC000826301513 609571734 /nfs/dbraw/zinc/57/17/34/609571734.db2.gz HELAORUDSWLFGO-KGLIPLIRSA-N -1 3 392.485 0.395 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826495319 609571949 /nfs/dbraw/zinc/57/19/49/609571949.db2.gz LDLUCEKARAUIJG-ZIAGYGMSSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826495319 609571952 /nfs/dbraw/zinc/57/19/52/609571952.db2.gz LDLUCEKARAUIJG-ZIAGYGMSSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826494665 609572277 /nfs/dbraw/zinc/57/22/77/609572277.db2.gz KYQPXMNBQPPTIG-KGLIPLIRSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826494665 609572280 /nfs/dbraw/zinc/57/22/80/609572280.db2.gz KYQPXMNBQPPTIG-KGLIPLIRSA-N -1 3 396.448 0.226 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259500 609577074 /nfs/dbraw/zinc/57/70/74/609577074.db2.gz UTYXLHWOIFHQNH-UKRRQHHQSA-N -1 3 396.411 0.124 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259500 609577076 /nfs/dbraw/zinc/57/70/76/609577076.db2.gz UTYXLHWOIFHQNH-UKRRQHHQSA-N -1 3 396.411 0.124 20 0 GCADHM CNC(=O)c1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000826067163 609577165 /nfs/dbraw/zinc/57/71/65/609577165.db2.gz CYJGCGXTEBKNMA-CQSZACIVSA-N -1 3 393.411 0.624 20 0 GCADHM CNC(=O)c1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1 ZINC000826067163 609577169 /nfs/dbraw/zinc/57/71/69/609577169.db2.gz CYJGCGXTEBKNMA-CQSZACIVSA-N -1 3 393.411 0.624 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN3CCN2CC3)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258948 609579038 /nfs/dbraw/zinc/57/90/38/609579038.db2.gz BTPPYZJHXWZBHO-MRXNPFEDSA-N -1 3 393.455 0.090 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN3CCN2CC3)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258948 609579039 /nfs/dbraw/zinc/57/90/39/609579039.db2.gz BTPPYZJHXWZBHO-MRXNPFEDSA-N -1 3 393.455 0.090 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CN1C1CC1 ZINC000282534007 609583698 /nfs/dbraw/zinc/58/36/98/609583698.db2.gz MPPAPERZUBDNIF-SECBINFHSA-N -1 3 396.860 0.809 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CN1C1CC1 ZINC000282534007 609583700 /nfs/dbraw/zinc/58/37/00/609583700.db2.gz MPPAPERZUBDNIF-SECBINFHSA-N -1 3 396.860 0.809 20 0 GCADHM Cc1nnc(CN2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CC2)[nH]1 ZINC000826325888 609585798 /nfs/dbraw/zinc/58/57/98/609585798.db2.gz PTMZXASTKKUVSF-UHFFFAOYSA-N -1 3 380.460 0.889 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CN1C1CC1 ZINC000826478583 609585916 /nfs/dbraw/zinc/58/59/16/609585916.db2.gz FYTHQOUVYYAHLS-GFCCVEGCSA-N -1 3 376.442 0.297 20 0 GCADHM O=C1C[C@H](CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CN1C1CC1 ZINC000826478583 609585917 /nfs/dbraw/zinc/58/59/17/609585917.db2.gz FYTHQOUVYYAHLS-GFCCVEGCSA-N -1 3 376.442 0.297 20 0 GCADHM COC(=O)[C@@]1(NC(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CCOC1 ZINC000826124810 609593566 /nfs/dbraw/zinc/59/35/66/609593566.db2.gz WHEBTSNOVRRRLK-GOSISDBHSA-N -1 3 397.395 0.423 20 0 GCADHM COC(=O)[C@@]1(NC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CCOC1 ZINC000826124810 609593568 /nfs/dbraw/zinc/59/35/68/609593568.db2.gz WHEBTSNOVRRRLK-GOSISDBHSA-N -1 3 397.395 0.423 20 0 GCADHM CNC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)C ZINC000826050937 609597986 /nfs/dbraw/zinc/59/79/86/609597986.db2.gz ILTVVUDOXITCPJ-HNNXBMFYSA-N -1 3 382.428 0.861 20 0 GCADHM CNC(=O)[C@@H](NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)C ZINC000826050937 609597988 /nfs/dbraw/zinc/59/79/88/609597988.db2.gz ILTVVUDOXITCPJ-HNNXBMFYSA-N -1 3 382.428 0.861 20 0 GCADHM CNC(=O)[C@H](NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1)C(C)C ZINC000826050938 609598214 /nfs/dbraw/zinc/59/82/14/609598214.db2.gz ILTVVUDOXITCPJ-OAHLLOKOSA-N -1 3 382.428 0.861 20 0 GCADHM CNC(=O)[C@H](NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1)C(C)C ZINC000826050938 609598215 /nfs/dbraw/zinc/59/82/15/609598215.db2.gz ILTVVUDOXITCPJ-OAHLLOKOSA-N -1 3 382.428 0.861 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000826429445 609598577 /nfs/dbraw/zinc/59/85/77/609598577.db2.gz CPZZMDWLPPCDAX-HNNXBMFYSA-N -1 3 378.396 0.578 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826429445 609598579 /nfs/dbraw/zinc/59/85/79/609598579.db2.gz CPZZMDWLPPCDAX-HNNXBMFYSA-N -1 3 378.396 0.578 20 0 GCADHM O=C(NCc1cocn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826443154 609603474 /nfs/dbraw/zinc/60/34/74/609603474.db2.gz CZDZVVPBYMLDFN-AWEZNQCLSA-N -1 3 382.384 0.850 20 0 GCADHM O=C(NCc1cocn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826443154 609603476 /nfs/dbraw/zinc/60/34/76/609603476.db2.gz CZDZVVPBYMLDFN-AWEZNQCLSA-N -1 3 382.384 0.850 20 0 GCADHM Cn1ccnc1CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826364178 609603586 /nfs/dbraw/zinc/60/35/86/609603586.db2.gz NHTZKGWORGYURX-CQSZACIVSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1ccnc1CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826364178 609603589 /nfs/dbraw/zinc/60/35/89/609603589.db2.gz NHTZKGWORGYURX-CQSZACIVSA-N -1 3 395.427 0.595 20 0 GCADHM Cc1nc(CNC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)no1 ZINC000826326300 609605167 /nfs/dbraw/zinc/60/51/67/609605167.db2.gz JUVBZJQRSIVGAU-CYBMUJFWSA-N -1 3 397.399 0.553 20 0 GCADHM Cc1nc(CNC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)no1 ZINC000826326300 609605169 /nfs/dbraw/zinc/60/51/69/609605169.db2.gz JUVBZJQRSIVGAU-CYBMUJFWSA-N -1 3 397.399 0.553 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826334008 609610417 /nfs/dbraw/zinc/61/04/17/609610417.db2.gz CWXKQZCFGXEJQY-OAHLLOKOSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826334008 609610419 /nfs/dbraw/zinc/61/04/19/609610419.db2.gz CWXKQZCFGXEJQY-OAHLLOKOSA-N -1 3 380.412 0.834 20 0 GCADHM CCCC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825224915 609611776 /nfs/dbraw/zinc/61/17/76/609611776.db2.gz GTNPXLURZQTKFQ-CQSZACIVSA-N -1 3 385.428 0.395 20 0 GCADHM CCCC(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825224915 609611779 /nfs/dbraw/zinc/61/17/79/609611779.db2.gz GTNPXLURZQTKFQ-CQSZACIVSA-N -1 3 385.428 0.395 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824065166 609611865 /nfs/dbraw/zinc/61/18/65/609611865.db2.gz UUFDPNNANRVMAY-CQSZACIVSA-N -1 3 399.455 0.641 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824065166 609611866 /nfs/dbraw/zinc/61/18/66/609611866.db2.gz UUFDPNNANRVMAY-CQSZACIVSA-N -1 3 399.455 0.641 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826129690 609612320 /nfs/dbraw/zinc/61/23/20/609612320.db2.gz YIJDKIXEVABQRB-MGPQQGTHSA-N -1 3 384.396 0.287 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826129690 609612321 /nfs/dbraw/zinc/61/23/21/609612321.db2.gz YIJDKIXEVABQRB-MGPQQGTHSA-N -1 3 384.396 0.287 20 0 GCADHM Cc1cc(C(=O)OCC(=O)N2CCCC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260859 609626951 /nfs/dbraw/zinc/62/69/51/609626951.db2.gz HOVIHQQUMRYABQ-UHFFFAOYSA-N -1 3 395.379 0.667 20 0 GCADHM Cc1cc(C(=O)OCC(=O)N2CCCC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260859 609626953 /nfs/dbraw/zinc/62/69/53/609626953.db2.gz HOVIHQQUMRYABQ-UHFFFAOYSA-N -1 3 395.379 0.667 20 0 GCADHM Cn1cc(N2CCC[C@H](OC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826362312 609628187 /nfs/dbraw/zinc/62/81/87/609628187.db2.gz MNIUFPIUDATPQX-GJZGRUSLSA-N -1 3 397.395 0.372 20 0 GCADHM Cn1cc(N2CCC[C@H](OC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826362312 609628188 /nfs/dbraw/zinc/62/81/88/609628188.db2.gz MNIUFPIUDATPQX-GJZGRUSLSA-N -1 3 397.395 0.372 20 0 GCADHM O=C(OCc1cc(=O)n2ccsc2n1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464874 609630575 /nfs/dbraw/zinc/63/05/75/609630575.db2.gz PZYHWEGAKDGADQ-ZDUSSCGKSA-N -1 3 384.377 0.713 20 0 GCADHM O=C(OCc1cc(=O)n2ccsc2n1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464874 609630577 /nfs/dbraw/zinc/63/05/77/609630577.db2.gz PZYHWEGAKDGADQ-ZDUSSCGKSA-N -1 3 384.377 0.713 20 0 GCADHM Cc1cc(N2CC[C@@H](OC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000826269169 609630759 /nfs/dbraw/zinc/63/07/59/609630759.db2.gz CFSRYJDMYHEZNI-UKRRQHHQSA-N -1 3 397.395 0.291 20 0 GCADHM Cc1cc(N2CC[C@@H](OC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000826269169 609630760 /nfs/dbraw/zinc/63/07/60/609630760.db2.gz CFSRYJDMYHEZNI-UKRRQHHQSA-N -1 3 397.395 0.291 20 0 GCADHM O=C(COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc2c(c1)OCO2 ZINC000826415078 609633910 /nfs/dbraw/zinc/63/39/10/609633910.db2.gz QUILCIKEBFACQX-MRXNPFEDSA-N -1 3 397.347 0.811 20 0 GCADHM O=C(COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc2c(c1)OCO2 ZINC000826415078 609633912 /nfs/dbraw/zinc/63/39/12/609633912.db2.gz QUILCIKEBFACQX-MRXNPFEDSA-N -1 3 397.347 0.811 20 0 GCADHM CC(C)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000824300731 609640198 /nfs/dbraw/zinc/64/01/98/609640198.db2.gz KBJKHGSYCJCJFY-INIZCTEOSA-N -1 3 383.456 0.915 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823989309 609641632 /nfs/dbraw/zinc/64/16/32/609641632.db2.gz TXZLUGXUHFNWAX-CQSZACIVSA-N -1 3 385.428 0.393 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823989309 609641633 /nfs/dbraw/zinc/64/16/33/609641633.db2.gz TXZLUGXUHFNWAX-CQSZACIVSA-N -1 3 385.428 0.393 20 0 GCADHM O=C(c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F)N1CC[C@@H](O)[C@H](F)C1 ZINC000890699632 638443351 /nfs/dbraw/zinc/44/33/51/638443351.db2.gz RJWSELMNWMIELJ-GHMZBOCLSA-N -1 3 378.372 0.950 20 0 GCADHM CC(C)NC(=O)[C@H](C)NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000840546657 638549784 /nfs/dbraw/zinc/54/97/84/638549784.db2.gz PVKJDIPXDYPKOE-MNOVXSKESA-N -1 3 390.893 0.821 20 0 GCADHM CCC[C@H](O)[C@H](CO)NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000840548452 638551219 /nfs/dbraw/zinc/55/12/19/638551219.db2.gz BSRNGXFBHIMRLU-WOPDTQHZSA-N -1 3 393.893 0.430 20 0 GCADHM CCC[C@H](O)[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 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397.831 0.872 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCCC[C@H]1C1OCCO1 ZINC000726945796 638714360 /nfs/dbraw/zinc/71/43/60/638714360.db2.gz VIZHTUNGOBIOIQ-JTQLQIEISA-N -1 3 388.218 0.465 20 0 GCADHM CCN1CC[C@@H]1C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000882764301 638745431 /nfs/dbraw/zinc/74/54/31/638745431.db2.gz PRAXCPFGKRAEGN-MRVPVSSYSA-N -1 3 384.243 0.397 20 0 GCADHM COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O ZINC000751003175 639074759 /nfs/dbraw/zinc/07/47/59/639074759.db2.gz BOKVTUHEYLZLGK-UHFFFAOYSA-N -1 3 399.878 0.081 20 0 GCADHM CNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br ZINC000728578358 639087310 /nfs/dbraw/zinc/08/73/10/639087310.db2.gz YGQJMGPSGWWJMF-UHFFFAOYSA-N -1 3 383.195 0.399 20 0 GCADHM COC(=O)CC1([N-]S(=O)(=O)c2cn(C)nc2Br)CCOCC1 ZINC000866925500 639105987 /nfs/dbraw/zinc/10/59/87/639105987.db2.gz OATZXCNCUUCPBI-UHFFFAOYSA-N -1 3 396.263 0.573 20 0 GCADHM COC(=O)CC1([N-]S(=O)(=O)c2cnn(C)c2Br)CCOCC1 ZINC000866925681 639106548 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20 0 GCADHM CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)nc1)C(=O)OCC ZINC001185063338 1205916079 /nfs/dbraw/zinc/91/60/79/1205916079.db2.gz MRDFAJYGZWIZBN-JTQLQIEISA-N -1 3 379.822 0.683 20 0 GCADHM COCCC1([N-]S(=O)(=O)c2cnc(Cl)nc2)CCS(=O)(=O)CC1 ZINC001185076868 1205916653 /nfs/dbraw/zinc/91/66/53/1205916653.db2.gz WHMHBWNXIHGCQB-UHFFFAOYSA-N -1 3 383.879 0.392 20 0 GCADHM CC(C)(C)OC(=O)NCCOCC[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185076568 1205916804 /nfs/dbraw/zinc/91/68/04/1205916804.db2.gz XNNHWCRFAXZSHU-UHFFFAOYSA-N -1 3 380.854 0.950 20 0 GCADHM CN(Cc1ccccc1)[C@@H](CO)C(=O)Nc1ncc(Br)[n-]c1=O ZINC001185235672 1205918437 /nfs/dbraw/zinc/91/84/37/1205918437.db2.gz RACASSXNLRZOFP-NSHDSACASA-N -1 3 381.230 0.964 20 0 GCADHM CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)no1 ZINC001185238533 1205918544 /nfs/dbraw/zinc/91/85/44/1205918544.db2.gz DIRRDEABQBHPMS-UHFFFAOYSA-N -1 3 377.382 0.905 20 0 GCADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1ccsc1 ZINC001185345471 1205921679 /nfs/dbraw/zinc/92/16/79/1205921679.db2.gz OJEHAQSJUHMSPO-LBPRGKRZSA-N -1 3 386.499 0.909 20 0 GCADHM CC(C)(C(N)=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185589403 1205924899 /nfs/dbraw/zinc/92/48/99/1205924899.db2.gz VWCHPJXWDKTIKB-UHFFFAOYSA-N -1 3 378.458 0.779 20 0 GCADHM CC(C)(C(N)=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185589403 1205924902 /nfs/dbraw/zinc/92/49/02/1205924902.db2.gz VWCHPJXWDKTIKB-UHFFFAOYSA-N -1 3 378.458 0.779 20 0 GCADHM CCNC(=O)OC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185588331 1205925105 /nfs/dbraw/zinc/92/51/05/1205925105.db2.gz LHSUTABOYOMPNW-UHFFFAOYSA-N -1 3 380.430 0.766 20 0 GCADHM CCNC(=O)OC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185588331 1205925106 /nfs/dbraw/zinc/92/51/06/1205925106.db2.gz LHSUTABOYOMPNW-UHFFFAOYSA-N -1 3 380.430 0.766 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](Oc2cnccn2)C1 ZINC001185592872 1205925338 /nfs/dbraw/zinc/92/53/38/1205925338.db2.gz MLOWVEXGCRRMRC-ZDUSSCGKSA-N -1 3 387.425 0.889 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](Oc2cnccn2)C1 ZINC001185592872 1205925340 /nfs/dbraw/zinc/92/53/40/1205925340.db2.gz MLOWVEXGCRRMRC-ZDUSSCGKSA-N -1 3 387.425 0.889 20 0 GCADHM Cn1cc2c(n1)[C@@H](CNS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)OCC2 ZINC001185614252 1205925721 /nfs/dbraw/zinc/92/57/21/1205925721.db2.gz QLYFRZHHSUKIHV-CYBMUJFWSA-N -1 3 375.414 0.193 20 0 GCADHM Cn1cc2c(n1)[C@@H](CNS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)OCC2 ZINC001185614252 1205925723 /nfs/dbraw/zinc/92/57/23/1205925723.db2.gz QLYFRZHHSUKIHV-CYBMUJFWSA-N -1 3 375.414 0.193 20 0 GCADHM COCc1cnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)[C@@H]2C ZINC001185578814 1205925783 /nfs/dbraw/zinc/92/57/83/1205925783.db2.gz PBFPBTBMQHRWAU-LLVKDONJSA-N -1 3 389.441 0.975 20 0 GCADHM COCc1cnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)[C@@H]2C ZINC001185578814 1205925785 /nfs/dbraw/zinc/92/57/85/1205925785.db2.gz PBFPBTBMQHRWAU-LLVKDONJSA-N -1 3 389.441 0.975 20 0 GCADHM CC(C)C(=O)N[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001185578793 1205925796 /nfs/dbraw/zinc/92/57/96/1205925796.db2.gz OODDHASEWZKUGP-WDNDVIMCSA-N -1 3 376.442 0.258 20 0 GCADHM CC(C)C(=O)N[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001185578793 1205925797 /nfs/dbraw/zinc/92/57/97/1205925797.db2.gz OODDHASEWZKUGP-WDNDVIMCSA-N -1 3 376.442 0.258 20 0 GCADHM CCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185583123 1205925920 /nfs/dbraw/zinc/92/59/20/1205925920.db2.gz KHZGCRBOFGESIC-CQSZACIVSA-N -1 3 378.458 0.936 20 0 GCADHM CCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185583123 1205925921 /nfs/dbraw/zinc/92/59/21/1205925921.db2.gz KHZGCRBOFGESIC-CQSZACIVSA-N -1 3 378.458 0.936 20 0 GCADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](O)c1ccccc1 ZINC001185628132 1205926000 /nfs/dbraw/zinc/92/60/00/1205926000.db2.gz JHCRYGSAJHHFLT-HOTGVXAUSA-N -1 3 389.437 0.894 20 0 GCADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](O)c1ccccc1 ZINC001185628132 1205926002 /nfs/dbraw/zinc/92/60/02/1205926002.db2.gz JHCRYGSAJHHFLT-HOTGVXAUSA-N -1 3 389.437 0.894 20 0 GCADHM COc1ncnc2c1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001185579569 1205926039 /nfs/dbraw/zinc/92/60/39/1205926039.db2.gz XYGKNKBXCIXXCY-UHFFFAOYSA-N -1 3 387.425 0.455 20 0 GCADHM COc1ncnc2c1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185579569 1205926040 /nfs/dbraw/zinc/92/60/40/1205926040.db2.gz XYGKNKBXCIXXCY-UHFFFAOYSA-N -1 3 387.425 0.455 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccc(F)cc1 ZINC001185632059 1205926189 /nfs/dbraw/zinc/92/61/89/1205926189.db2.gz QRIOSSWWVIQWRS-UHFFFAOYSA-N -1 3 390.400 0.601 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccc(F)cc1 ZINC001185632059 1205926190 /nfs/dbraw/zinc/92/61/90/1205926190.db2.gz QRIOSSWWVIQWRS-UHFFFAOYSA-N -1 3 390.400 0.601 20 0 GCADHM CC(=O)OCN1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185637560 1205926208 /nfs/dbraw/zinc/92/62/08/1205926208.db2.gz GDYYUENJPXUNKT-UHFFFAOYSA-N -1 3 380.430 0.130 20 0 GCADHM CC(=O)OCN1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185637560 1205926210 /nfs/dbraw/zinc/92/62/10/1205926210.db2.gz GDYYUENJPXUNKT-UHFFFAOYSA-N -1 3 380.430 0.130 20 0 GCADHM O=S(=O)(NCc1cn(Cc2ccccn2)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185638729 1205926293 /nfs/dbraw/zinc/92/62/93/1205926293.db2.gz UIJIITCPSLYEDT-UHFFFAOYSA-N -1 3 396.436 0.985 20 0 GCADHM O=S(=O)(NCc1cn(Cc2ccccn2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185638729 1205926294 /nfs/dbraw/zinc/92/62/94/1205926294.db2.gz UIJIITCPSLYEDT-UHFFFAOYSA-N -1 3 396.436 0.985 20 0 GCADHM CCOC(=O)[C@H]([N-]S(=O)(=O)N1CCN(C(=O)OCC)CC1)c1ccccc1 ZINC000774905771 1205926305 /nfs/dbraw/zinc/92/63/05/1205926305.db2.gz RTBBWEUYVSBLQG-OAHLLOKOSA-N -1 3 399.469 0.899 20 0 GCADHM CCC(=O)N[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185638780 1205926323 /nfs/dbraw/zinc/92/63/23/1205926323.db2.gz WHFJTRHGFVWDPC-JOCQHMNTSA-N -1 3 378.458 0.982 20 0 GCADHM CCC(=O)N[C@H]1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185638780 1205926324 /nfs/dbraw/zinc/92/63/24/1205926324.db2.gz WHFJTRHGFVWDPC-JOCQHMNTSA-N -1 3 378.458 0.982 20 0 GCADHM COCCn1cc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC001185637568 1205926399 /nfs/dbraw/zinc/92/63/99/1205926399.db2.gz GKUONURZPQDKDB-UHFFFAOYSA-N -1 3 376.398 0.476 20 0 GCADHM COCCn1cc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC001185637568 1205926402 /nfs/dbraw/zinc/92/64/02/1205926402.db2.gz GKUONURZPQDKDB-UHFFFAOYSA-N -1 3 376.398 0.476 20 0 GCADHM O=S(=O)(N[C@H]1CCCN(c2ccncn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185632423 1205926437 /nfs/dbraw/zinc/92/64/37/1205926437.db2.gz YZTYJNQAPSJLPA-ZDUSSCGKSA-N -1 3 386.441 0.604 20 0 GCADHM O=S(=O)(N[C@H]1CCCN(c2ccncn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185632423 1205926438 /nfs/dbraw/zinc/92/64/38/1205926438.db2.gz YZTYJNQAPSJLPA-ZDUSSCGKSA-N -1 3 386.441 0.604 20 0 GCADHM CC(C)(C)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185642440 1205926521 /nfs/dbraw/zinc/92/65/21/1205926521.db2.gz RRXYXPFQDCWVQB-OAHLLOKOSA-N -1 3 394.501 0.892 20 0 GCADHM CC(C)(C)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185642440 1205926522 /nfs/dbraw/zinc/92/65/22/1205926522.db2.gz RRXYXPFQDCWVQB-OAHLLOKOSA-N -1 3 394.501 0.892 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NC2CCN(Cc3ccncc3)CC2)[n-]n1 ZINC001185623816 1205927028 /nfs/dbraw/zinc/92/70/28/1205927028.db2.gz CORYOBOZOCZUBF-UHFFFAOYSA-N -1 3 379.442 0.534 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NC2CCN(Cc3ccncc3)CC2)n[n-]1 ZINC001185623816 1205927029 /nfs/dbraw/zinc/92/70/29/1205927029.db2.gz CORYOBOZOCZUBF-UHFFFAOYSA-N -1 3 379.442 0.534 20 0 GCADHM O=C1CCCCCN1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185623894 1205927385 /nfs/dbraw/zinc/92/73/85/1205927385.db2.gz QAGPKJGTRSGPKJ-UHFFFAOYSA-N -1 3 378.458 0.938 20 0 GCADHM O=C1CCCCCN1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185623894 1205927387 /nfs/dbraw/zinc/92/73/87/1205927387.db2.gz QAGPKJGTRSGPKJ-UHFFFAOYSA-N -1 3 378.458 0.938 20 0 GCADHM CCS(=O)(=O)c1cnc(C[N-]S(=O)(=O)c2ccc(Cl)nc2)nc1 ZINC001185704754 1205927560 /nfs/dbraw/zinc/92/75/60/1205927560.db2.gz SRBFKRZMGNCPKK-UHFFFAOYSA-N -1 3 376.847 0.797 20 0 GCADHM O=C(COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCCN1C(=O)C(F)(F)F ZINC000774975464 1205934679 /nfs/dbraw/zinc/93/46/79/1205934679.db2.gz XATZPTNVSKKTEG-LLVKDONJSA-N -1 3 398.293 0.849 20 0 GCADHM O=C1C[C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C(=O)N1 ZINC001186357457 1205938717 /nfs/dbraw/zinc/93/87/17/1205938717.db2.gz ZWFRNYJMHOFGSY-RXMQYKEDSA-N -1 3 382.623 0.439 20 0 GCADHM CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001186720101 1205947243 /nfs/dbraw/zinc/94/72/43/1205947243.db2.gz ZRVNPFMJMHNGPJ-WZRBSPASSA-N -1 3 399.444 0.485 20 0 GCADHM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001186802269 1205947784 /nfs/dbraw/zinc/94/77/84/1205947784.db2.gz KKPNRMJJLJTFOC-FHSNZYRGSA-N -1 3 379.413 0.122 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccccc2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC001187008205 1205953418 /nfs/dbraw/zinc/95/34/18/1205953418.db2.gz DOLWWAVLZJPTDD-UHFFFAOYSA-N -1 3 385.428 0.513 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccccc2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC001187008205 1205953419 /nfs/dbraw/zinc/95/34/19/1205953419.db2.gz DOLWWAVLZJPTDD-UHFFFAOYSA-N -1 3 385.428 0.513 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccccc2-c2nnn[n-]2)C[C@H]1O ZINC001186998109 1205954079 /nfs/dbraw/zinc/95/40/79/1205954079.db2.gz AYCYTJSVLKQMQB-ZIAGYGMSSA-N -1 3 388.428 0.967 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccccc2-c2nn[n-]n2)C[C@H]1O ZINC001186998109 1205954080 /nfs/dbraw/zinc/95/40/80/1205954080.db2.gz AYCYTJSVLKQMQB-ZIAGYGMSSA-N -1 3 388.428 0.967 20 0 GCADHM COC(=O)[C@@](C)([N-]S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C1CC1 ZINC001187137511 1205955820 /nfs/dbraw/zinc/95/58/20/1205955820.db2.gz CORAGVQBUXQUHB-HNNXBMFYSA-N -1 3 375.468 0.851 20 0 GCADHM COc1cccc(OC)c1NC(=O)C(=O)N=c1nc2[nH][n-]cc-2c(Cl)n1 ZINC001187475777 1205963502 /nfs/dbraw/zinc/96/35/02/1205963502.db2.gz MQECMIPKPNMRFE-UHFFFAOYSA-N -1 3 376.760 0.974 20 0 GCADHM COC[C@@H]([N-]S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C)o1 ZINC001187668288 1205966845 /nfs/dbraw/zinc/96/68/45/1205966845.db2.gz SRDKBVUONOYMKP-QWHCGFSZSA-N -1 3 380.488 0.476 20 0 GCADHM CCOC(Cc1c(=O)[n-]c(=S)[nH]c1NS(=O)(=O)c1c[nH]cn1)OCC ZINC001187730432 1205967754 /nfs/dbraw/zinc/96/77/54/1205967754.db2.gz GZBVHFKGWPLPCE-UHFFFAOYSA-N -1 3 389.459 0.936 20 0 GCADHM COc1cc(OC)cc(N2CC[C@H]([N-]S(=O)(=O)CCn3cccn3)C2=O)c1 ZINC001187865947 1205969996 /nfs/dbraw/zinc/96/99/96/1205969996.db2.gz VPOXZVAMNWLOPM-INIZCTEOSA-N -1 3 394.453 0.625 20 0 GCADHM O=C1C=CC(=O)N1CCOCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187985325 1205972621 /nfs/dbraw/zinc/97/26/21/1205972621.db2.gz NDDAWANZHFMWGH-UHFFFAOYSA-N -1 3 394.236 0.608 20 0 GCADHM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCN([C@H]2CCOC2=O)CC1 ZINC001188255078 1205978134 /nfs/dbraw/zinc/97/81/34/1205978134.db2.gz 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20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000819796874 945294606 /nfs/dbraw/zinc/29/46/06/945294606.db2.gz QFRCDZMBYBYAQO-MWLCHTKSSA-N -1 3 396.908 0.965 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCN1C(=O)CSC1=O ZINC000819997099 945323727 /nfs/dbraw/zinc/32/37/27/945323727.db2.gz QESIFWVYPFUXHB-UHFFFAOYSA-N -1 3 390.425 0.836 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1C(=O)CSC1=O ZINC000819997099 945323735 /nfs/dbraw/zinc/32/37/35/945323735.db2.gz QESIFWVYPFUXHB-UHFFFAOYSA-N -1 3 390.425 0.836 20 0 GCADHM Cn1ncc(C(=O)NC[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)c1N ZINC001571257734 945341833 /nfs/dbraw/zinc/34/18/33/945341833.db2.gz IMQJCAMMSJSFPQ-JTQLQIEISA-N -1 3 385.407 0.578 20 0 GCADHM Cn1ncc(C(=O)NC[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)c1N ZINC001571257734 945341843 /nfs/dbraw/zinc/34/18/43/945341843.db2.gz IMQJCAMMSJSFPQ-JTQLQIEISA-N -1 3 385.407 0.578 20 0 GCADHM Cn1cncc1CC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571258083 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O=C(NC[C@@H]1CN(C/C(Cl)=C/Cl)CCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571267533 945572516 /nfs/dbraw/zinc/57/25/16/945572516.db2.gz YFDCWFNDXMBFCI-HYHWUIIZSA-N -1 3 386.243 0.944 20 0 GCADHM O=C(NC[C@@H]1CN(C/C(Cl)=C/Cl)CCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571267533 945572524 /nfs/dbraw/zinc/57/25/24/945572524.db2.gz YFDCWFNDXMBFCI-HYHWUIIZSA-N -1 3 386.243 0.944 20 0 GCADHM Cn1nnc(C(=O)N2CCC(C)(Nc3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC001571267611 945575416 /nfs/dbraw/zinc/57/54/16/945575416.db2.gz AAEATNSCXWPUSN-UHFFFAOYSA-N -1 3 386.395 0.636 20 0 GCADHM Cn1nnc(C(=O)N2CCC(C)(Nc3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC001571267611 945575422 /nfs/dbraw/zinc/57/54/22/945575422.db2.gz AAEATNSCXWPUSN-UHFFFAOYSA-N -1 3 386.395 0.636 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CCC(CNC(=O)c3n[nH]cc3F)CC2)n1 ZINC001571267738 945577618 /nfs/dbraw/zinc/57/76/18/945577618.db2.gz CZRGYXYTEGMKKI-UHFFFAOYSA-N -1 3 386.395 0.474 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](CNC(=O)c3n[nH]cc3F)[C@H](C)C2)n1 ZINC001571267807 945578575 /nfs/dbraw/zinc/57/85/75/945578575.db2.gz FJGFHBUSUYIIPF-PSASIEDQSA-N -1 3 386.395 0.330 20 0 GCADHM C[C@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571267930 945583892 /nfs/dbraw/zinc/58/38/92/945583892.db2.gz JIXSMLNDYYDNKQ-CABZTGNLSA-N -1 3 386.395 0.492 20 0 GCADHM C[C@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571267930 945583904 /nfs/dbraw/zinc/58/39/04/945583904.db2.gz JIXSMLNDYYDNKQ-CABZTGNLSA-N -1 3 386.395 0.492 20 0 GCADHM Cc1nn[nH]c1C(=O)NC1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571268110 945587919 /nfs/dbraw/zinc/58/79/19/945587919.db2.gz OEWHWBJRMHZXMX-UHFFFAOYSA-N -1 3 386.395 0.616 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2cc(F)c[nH]2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571268257 945591947 /nfs/dbraw/zinc/59/19/47/945591947.db2.gz PQWMGPMNZRHIKR-SKDRFNHKSA-N -1 3 386.391 0.991 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2cc(F)c[nH]2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571268257 945591956 /nfs/dbraw/zinc/59/19/56/945591956.db2.gz PQWMGPMNZRHIKR-SKDRFNHKSA-N -1 3 386.391 0.991 20 0 GCADHM Cn1nncc1C(=O)NC1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571268268 945592378 /nfs/dbraw/zinc/59/23/78/945592378.db2.gz PWMXPDBJNIBUOO-UHFFFAOYSA-N -1 3 386.395 0.318 20 0 GCADHM Cn1nncc1C(=O)NC1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571268268 945592380 /nfs/dbraw/zinc/59/23/80/945592380.db2.gz PWMXPDBJNIBUOO-UHFFFAOYSA-N -1 3 386.395 0.318 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)[C@H]2COC(=O)N2)ccc1-c1nnn[n-]1 ZINC001571268327 945593743 /nfs/dbraw/zinc/59/37/43/945593743.db2.gz DBCGOZSHHZKSQY-DGCLKSJQSA-N -1 3 386.416 0.472 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)[C@H]2COC(=O)N2)ccc1-c1nn[n-]n1 ZINC001571268327 945593751 /nfs/dbraw/zinc/59/37/51/945593751.db2.gz DBCGOZSHHZKSQY-DGCLKSJQSA-N -1 3 386.416 0.472 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H](NC(=O)c3n[nH]cc3F)CC2)n1 ZINC001571268432 945595529 /nfs/dbraw/zinc/59/55/29/945595529.db2.gz RTKXGBMXQOPBRZ-JTQLQIEISA-N -1 3 386.395 0.616 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnn(C)c1N ZINC001571268474 945596205 /nfs/dbraw/zinc/59/62/05/945596205.db2.gz SWJUBPLABBCBRB-PELKAZGASA-N -1 3 386.395 0.432 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnn(C)c1N ZINC001571268474 945596217 /nfs/dbraw/zinc/59/62/17/945596217.db2.gz SWJUBPLABBCBRB-PELKAZGASA-N -1 3 386.395 0.432 20 0 GCADHM CCn1cc(C(=O)NCC2CC(Nc3ncc(-c4nnn[n-]4)cc3F)C2)nn1 ZINC001571268646 945602387 /nfs/dbraw/zinc/60/23/87/945602387.db2.gz VRZURLLPPQPAHN-UHFFFAOYSA-N -1 3 386.395 0.633 20 0 GCADHM CCn1cc(C(=O)NCC2CC(Nc3ncc(-c4nn[n-]n4)cc3F)C2)nn1 ZINC001571268646 945602389 /nfs/dbraw/zinc/60/23/89/945602389.db2.gz VRZURLLPPQPAHN-UHFFFAOYSA-N -1 3 386.395 0.633 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571268667 945602600 /nfs/dbraw/zinc/60/26/00/945602600.db2.gz WKACVLIDEGOZLX-MWLCHTKSSA-N -1 3 386.395 0.540 20 0 GCADHM Cn1nncc1C(=O)N[C@@H]1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571268667 945602602 /nfs/dbraw/zinc/60/26/02/945602602.db2.gz WKACVLIDEGOZLX-MWLCHTKSSA-N -1 3 386.395 0.540 20 0 GCADHM Cc1cc(CN[C@H](C)[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)no1 ZINC001571268948 945607734 /nfs/dbraw/zinc/60/77/34/945607734.db2.gz LJHNMVQANJVBOI-ABAIWWIYSA-N -1 3 386.416 0.511 20 0 GCADHM Cc1nc(CN2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)oc1C ZINC001571269088 945611406 /nfs/dbraw/zinc/61/14/06/945611406.db2.gz OLVYKTNHUPVOJA-CYBMUJFWSA-N -1 3 386.416 0.430 20 0 GCADHM Cc1nc(CN2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)oc1C ZINC001571269088 945611409 /nfs/dbraw/zinc/61/14/09/945611409.db2.gz OLVYKTNHUPVOJA-CYBMUJFWSA-N -1 3 386.416 0.430 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCCC[C@@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001571269212 945616118 /nfs/dbraw/zinc/61/61/18/945616118.db2.gz SKNWWKQPBZITHL-DGCLKSJQSA-N -1 3 386.416 0.553 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCCC[C@@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001571269212 945616125 /nfs/dbraw/zinc/61/61/25/945616125.db2.gz SKNWWKQPBZITHL-DGCLKSJQSA-N -1 3 386.416 0.553 20 0 GCADHM Cc1nc(CN[C@@H](C)[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)co1 ZINC001571269324 945617400 /nfs/dbraw/zinc/61/74/00/945617400.db2.gz VHQUFLFHKDITRN-ZUZCIYMTSA-N -1 3 386.416 0.511 20 0 GCADHM Cc1nc(CN[C@@H](C)[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)co1 ZINC001571269324 945617406 /nfs/dbraw/zinc/61/74/06/945617406.db2.gz VHQUFLFHKDITRN-ZUZCIYMTSA-N -1 3 386.416 0.511 20 0 GCADHM CCc1ncc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)s1 ZINC001571269878 945625607 /nfs/dbraw/zinc/62/56/07/945625607.db2.gz GFUDOUOADJQJBK-SNVBAGLBSA-N -1 3 386.441 0.858 20 0 GCADHM CCc1ncc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)s1 ZINC001571269878 945625610 /nfs/dbraw/zinc/62/56/10/945625610.db2.gz GFUDOUOADJQJBK-SNVBAGLBSA-N -1 3 386.441 0.858 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)ns1 ZINC001571269919 945627679 /nfs/dbraw/zinc/62/76/79/945627679.db2.gz HTWCENLHWPFPGX-NSHDSACASA-N -1 3 386.441 0.946 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)ns1 ZINC001571269919 945627683 /nfs/dbraw/zinc/62/76/83/945627683.db2.gz HTWCENLHWPFPGX-NSHDSACASA-N -1 3 386.441 0.946 20 0 GCADHM Cc1nonc1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)s1 ZINC001571270011 945629584 /nfs/dbraw/zinc/62/95/84/945629584.db2.gz KLTHERBEASRMAK-QWRGUYRKSA-N -1 3 386.441 0.647 20 0 GCADHM Cc1nonc1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)s1 ZINC001571270011 945629588 /nfs/dbraw/zinc/62/95/88/945629588.db2.gz KLTHERBEASRMAK-QWRGUYRKSA-N -1 3 386.441 0.647 20 0 GCADHM Cc1nc(CC(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cs1 ZINC001571270216 945631388 /nfs/dbraw/zinc/63/13/88/945631388.db2.gz NPPHSBWASDCGLU-LLVKDONJSA-N -1 3 386.441 0.533 20 0 GCADHM Cc1nc(CC(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cs1 ZINC001571270216 945631396 /nfs/dbraw/zinc/63/13/96/945631396.db2.gz NPPHSBWASDCGLU-LLVKDONJSA-N -1 3 386.441 0.533 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)ns1 ZINC001571270078 945631686 /nfs/dbraw/zinc/63/16/86/945631686.db2.gz MPGMLBUOYILRLY-WCBMZHEXSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)ns1 ZINC001571270078 945631689 /nfs/dbraw/zinc/63/16/89/945631689.db2.gz MPGMLBUOYILRLY-WCBMZHEXSA-N -1 3 386.441 0.993 20 0 GCADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cnccc3C)C2)c1-c1nnn[n-]1 ZINC001571270280 945633233 /nfs/dbraw/zinc/63/32/33/945633233.db2.gz PCXXEFTZQATSCP-VXGBXAGGSA-N -1 3 386.441 0.315 20 0 GCADHM Cc1ncsc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571270361 945634551 /nfs/dbraw/zinc/63/45/51/945634551.db2.gz RHIFZUTUDRQLHO-JTQLQIEISA-N -1 3 386.441 0.852 20 0 GCADHM Cc1ncsc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571270361 945634558 /nfs/dbraw/zinc/63/45/58/945634558.db2.gz RHIFZUTUDRQLHO-JTQLQIEISA-N -1 3 386.441 0.852 20 0 GCADHM Cc1ncc(C(=O)N2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)s1 ZINC001571270307 945634570 /nfs/dbraw/zinc/63/45/70/945634570.db2.gz PVFIITQGFHVLLV-UHFFFAOYSA-N -1 3 386.441 0.948 20 0 GCADHM Cc1ncc(C(=O)N2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)s1 ZINC001571270307 945634576 /nfs/dbraw/zinc/63/45/76/945634576.db2.gz PVFIITQGFHVLLV-UHFFFAOYSA-N -1 3 386.441 0.948 20 0 GCADHM CC1(C)CN(C(=O)c2nccs2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571270404 945637245 /nfs/dbraw/zinc/63/72/45/945637245.db2.gz SURKEGLHSWMBTC-NSHDSACASA-N -1 3 386.441 0.932 20 0 GCADHM CC1(C)CN(C(=O)c2nccs2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571270404 945637249 /nfs/dbraw/zinc/63/72/49/945637249.db2.gz SURKEGLHSWMBTC-NSHDSACASA-N -1 3 386.441 0.932 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2cscn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571270673 945640659 /nfs/dbraw/zinc/64/06/59/945640659.db2.gz YLFKCRLEQVNEOZ-MWLCHTKSSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2cscn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571270673 945640664 /nfs/dbraw/zinc/64/06/64/945640664.db2.gz YLFKCRLEQVNEOZ-MWLCHTKSSA-N -1 3 386.441 0.980 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3cncs3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571270650 945640978 /nfs/dbraw/zinc/64/09/78/945640978.db2.gz XTTVPSWFTVIKPT-NEPJUHHUSA-N -1 3 386.441 0.396 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3cncs3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571270650 945640982 /nfs/dbraw/zinc/64/09/82/945640982.db2.gz XTTVPSWFTVIKPT-NEPJUHHUSA-N -1 3 386.441 0.396 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cscn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571270671 945641302 /nfs/dbraw/zinc/64/13/02/945641302.db2.gz YLFKCRLEQVNEOZ-GXSJLCMTSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cscn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571270671 945641308 /nfs/dbraw/zinc/64/13/08/945641308.db2.gz YLFKCRLEQVNEOZ-GXSJLCMTSA-N -1 3 386.441 0.980 20 0 GCADHM CCN(C)S(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821164381 945644856 /nfs/dbraw/zinc/64/48/56/945644856.db2.gz DEPZQSMPVNQFJP-UHFFFAOYSA-N -1 3 393.473 0.714 20 0 GCADHM CCN(C)S(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821164381 945644867 /nfs/dbraw/zinc/64/48/67/945644867.db2.gz DEPZQSMPVNQFJP-UHFFFAOYSA-N -1 3 393.473 0.714 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2ccncc2Cl)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571272080 945655959 /nfs/dbraw/zinc/65/59/59/945655959.db2.gz OXMHAMZAOVSDPC-AOOOYVTPSA-N -1 3 386.803 0.934 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2ccncc2Cl)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571272080 945655966 /nfs/dbraw/zinc/65/59/66/945655966.db2.gz OXMHAMZAOVSDPC-AOOOYVTPSA-N -1 3 386.803 0.934 20 0 GCADHM CCNC(=O)CN1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000821284066 945664060 /nfs/dbraw/zinc/66/40/60/945664060.db2.gz AJHQLXOIHHDILD-UHFFFAOYSA-N -1 3 397.443 0.170 20 0 GCADHM CCNC(=O)CN1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000821284066 945664066 /nfs/dbraw/zinc/66/40/66/945664066.db2.gz AJHQLXOIHHDILD-UHFFFAOYSA-N -1 3 397.443 0.170 20 0 GCADHM CCOC(=O)C1(O)CCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC000821319835 945669032 /nfs/dbraw/zinc/66/90/32/945669032.db2.gz HPGRBQYESCREEU-UHFFFAOYSA-N -1 3 391.428 0.644 20 0 GCADHM CCOC(=O)N1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821335094 945672455 /nfs/dbraw/zinc/67/24/55/945672455.db2.gz YHCOFAUYGRYABS-UHFFFAOYSA-N -1 3 377.380 0.990 20 0 GCADHM CCOC(=O)N1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821335094 945672460 /nfs/dbraw/zinc/67/24/60/945672460.db2.gz YHCOFAUYGRYABS-UHFFFAOYSA-N -1 3 377.380 0.990 20 0 GCADHM CO[C@@H](C)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001571273292 945683613 /nfs/dbraw/zinc/68/36/13/945683613.db2.gz USSWDZKSLCIAPI-ZFWWWQNUSA-N -1 3 386.460 0.020 20 0 GCADHM CO[C@@H](C)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001571273292 945683623 /nfs/dbraw/zinc/68/36/23/945683623.db2.gz USSWDZKSLCIAPI-ZFWWWQNUSA-N -1 3 386.460 0.020 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1ccc(F)cc1F ZINC001571274157 945694347 /nfs/dbraw/zinc/69/43/47/945694347.db2.gz CSARBVBDTFWGGA-HUUCEWRRSA-N -1 3 387.350 0.519 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1ccc(F)cc1F ZINC001571274157 945694352 /nfs/dbraw/zinc/69/43/52/945694352.db2.gz CSARBVBDTFWGGA-HUUCEWRRSA-N -1 3 387.350 0.519 20 0 GCADHM Cn1c(C(=O)N[C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)c[nH]c1=O ZINC001571274654 945698667 /nfs/dbraw/zinc/69/86/67/945698667.db2.gz JNNNNLKYWWIXPD-JTQLQIEISA-N -1 3 387.379 0.239 20 0 GCADHM Cn1c(C(=O)N[C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)c[nH]c1=O ZINC001571274654 945698674 /nfs/dbraw/zinc/69/86/74/945698674.db2.gz JNNNNLKYWWIXPD-JTQLQIEISA-N -1 3 387.379 0.239 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cnon2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571274668 945699432 /nfs/dbraw/zinc/69/94/32/945699432.db2.gz JSKBQKUYJDJLEM-SNVBAGLBSA-N -1 3 387.379 0.772 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cnon2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571274668 945699441 /nfs/dbraw/zinc/69/94/41/945699441.db2.gz JSKBQKUYJDJLEM-SNVBAGLBSA-N -1 3 387.379 0.772 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571274840 945701094 /nfs/dbraw/zinc/70/10/94/945701094.db2.gz LTDBBSHMOQKQQE-KWQFWETISA-N -1 3 387.379 0.413 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571274840 945701102 /nfs/dbraw/zinc/70/11/02/945701102.db2.gz LTDBBSHMOQKQQE-KWQFWETISA-N -1 3 387.379 0.413 20 0 GCADHM COC[C@@](C)(NS(=O)(=O)c1c(C)cc(F)cc1-c1nnn[n-]1)C(=O)OC ZINC001571275111 945703386 /nfs/dbraw/zinc/70/33/86/945703386.db2.gz PLGMTRNPEWHFTI-CQSZACIVSA-N -1 3 387.393 0.171 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCO[C@H](CNc2ncc(F)cn2)C1 ZINC001571275371 945705091 /nfs/dbraw/zinc/70/50/91/945705091.db2.gz SNWWVMZYWAZBOB-GFCCVEGCSA-N -1 3 387.379 0.467 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCO[C@H](CNc2ncc(F)cn2)C1 ZINC001571275371 945705097 /nfs/dbraw/zinc/70/50/97/945705097.db2.gz SNWWVMZYWAZBOB-GFCCVEGCSA-N -1 3 387.379 0.467 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCO[C@@H](CNc2ncc(F)cn2)C1 ZINC001571275373 945705353 /nfs/dbraw/zinc/70/53/53/945705353.db2.gz SNWWVMZYWAZBOB-LBPRGKRZSA-N -1 3 387.379 0.467 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCO[C@@H](CNc2ncc(F)cn2)C1 ZINC001571275373 945705358 /nfs/dbraw/zinc/70/53/58/945705358.db2.gz SNWWVMZYWAZBOB-LBPRGKRZSA-N -1 3 387.379 0.467 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001571275506 945706738 /nfs/dbraw/zinc/70/67/38/945706738.db2.gz VHXOQNQHPAAWHC-NOZJJQNGSA-N -1 3 387.379 0.466 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001571275506 945706744 /nfs/dbraw/zinc/70/67/44/945706744.db2.gz VHXOQNQHPAAWHC-NOZJJQNGSA-N -1 3 387.379 0.466 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1n[nH]cc1F ZINC001571275424 945706935 /nfs/dbraw/zinc/70/69/35/945706935.db2.gz TZNRIMQIGFDSPJ-CMPLNLGQSA-N -1 3 387.379 0.480 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1n[nH]cc1F ZINC001571275424 945706943 /nfs/dbraw/zinc/70/69/43/945706943.db2.gz TZNRIMQIGFDSPJ-CMPLNLGQSA-N -1 3 387.379 0.480 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571275439 945707032 /nfs/dbraw/zinc/70/70/32/945707032.db2.gz UJDFNCNTMAAQSL-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571275439 945707034 /nfs/dbraw/zinc/70/70/34/945707034.db2.gz UJDFNCNTMAAQSL-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM O=C(c1cn[nH]n1)N1CCCO[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571275573 945709075 /nfs/dbraw/zinc/70/90/75/945709075.db2.gz XPMYDJNNDNJRMV-JTQLQIEISA-N -1 3 387.379 0.467 20 0 GCADHM O=C(c1cn[nH]n1)N1CCCO[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571275573 945709082 /nfs/dbraw/zinc/70/90/82/945709082.db2.gz XPMYDJNNDNJRMV-JTQLQIEISA-N -1 3 387.379 0.467 20 0 GCADHM Cc1nc(C(=O)NC[C@@H]2COCCN2c2cccc(F)c2-c2nnn[n-]2)co1 ZINC001571275605 945709492 /nfs/dbraw/zinc/70/94/92/945709492.db2.gz YNBWYDKOJSTZFI-LLVKDONJSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1nc(C(=O)NC[C@@H]2COCCN2c2cccc(F)c2-c2nn[n-]n2)co1 ZINC001571275605 945709497 /nfs/dbraw/zinc/70/94/97/945709497.db2.gz YNBWYDKOJSTZFI-LLVKDONJSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC001571275544 945709988 /nfs/dbraw/zinc/70/99/88/945709988.db2.gz WGMZOHKGKGZMCJ-XVKPBYJWSA-N -1 3 387.379 0.853 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC001571275544 945709995 /nfs/dbraw/zinc/70/99/95/945709995.db2.gz WGMZOHKGKGZMCJ-XVKPBYJWSA-N -1 3 387.379 0.853 20 0 GCADHM CCN1C[C@H](C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)CC1=O ZINC001571275967 945720491 /nfs/dbraw/zinc/72/04/91/945720491.db2.gz APQPVFOQHVRSLE-NEPJUHHUSA-N -1 3 387.419 0.569 20 0 GCADHM CCN1C[C@H](C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)CC1=O ZINC001571275967 945720502 /nfs/dbraw/zinc/72/05/02/945720502.db2.gz APQPVFOQHVRSLE-NEPJUHHUSA-N -1 3 387.419 0.569 20 0 GCADHM CN(C)C(=O)C1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821575723 945720904 /nfs/dbraw/zinc/72/09/04/945720904.db2.gz NBFWBPKDPJKNOE-UHFFFAOYSA-N -1 3 392.485 0.441 20 0 GCADHM CN(C)C(=O)C1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821575723 945720914 /nfs/dbraw/zinc/72/09/14/945720914.db2.gz NBFWBPKDPJKNOE-UHFFFAOYSA-N -1 3 392.485 0.441 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001571276021 945723176 /nfs/dbraw/zinc/72/31/76/945723176.db2.gz CKBJSKXQPCSIJP-PISHQANHSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001571276021 945723187 /nfs/dbraw/zinc/72/31/87/945723187.db2.gz CKBJSKXQPCSIJP-PISHQANHSA-N -1 3 387.419 0.981 20 0 GCADHM CCO[C@@H]1C[C@@H]1C(=O)N(C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC001571276105 945724749 /nfs/dbraw/zinc/72/47/49/945724749.db2.gz HGOWPZXXEBRJDQ-DOTOQJQBSA-N -1 3 386.456 0.943 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001571276146 945725552 /nfs/dbraw/zinc/72/55/52/945725552.db2.gz HZUAYEXAGFEHON-CQSZACIVSA-N -1 3 386.456 0.946 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571276376 945732916 /nfs/dbraw/zinc/73/29/16/945732916.db2.gz IHBPUYVFMLTVAS-RYUDHWBXSA-N -1 3 387.419 0.935 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571276376 945732925 /nfs/dbraw/zinc/73/29/25/945732925.db2.gz IHBPUYVFMLTVAS-RYUDHWBXSA-N -1 3 387.419 0.935 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)[C@@H]1CCC[C@H](F)C1 ZINC001571276645 945733642 /nfs/dbraw/zinc/73/36/42/945733642.db2.gz IRLUGKXDWBIDMI-HJPYRHJCSA-N -1 3 387.419 0.910 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)[C@@H]1CCC[C@H](F)C1 ZINC001571276645 945733645 /nfs/dbraw/zinc/73/36/45/945733645.db2.gz IRLUGKXDWBIDMI-HJPYRHJCSA-N -1 3 387.419 0.910 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)[C@H]1CCC[C@H](F)C1 ZINC001571276641 945734608 /nfs/dbraw/zinc/73/46/08/945734608.db2.gz IRLUGKXDWBIDMI-FIRSIQCYSA-N -1 3 387.419 0.910 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)[C@H]1CCC[C@H](F)C1 ZINC001571276641 945734621 /nfs/dbraw/zinc/73/46/21/945734621.db2.gz IRLUGKXDWBIDMI-FIRSIQCYSA-N -1 3 387.419 0.910 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571276967 945735807 /nfs/dbraw/zinc/73/58/07/945735807.db2.gz LRUIKCDKEIHBAJ-QWHCGFSZSA-N -1 3 387.419 0.365 20 0 GCADHM CN1CC[C@H](C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)CC1=O ZINC001571276699 945736758 /nfs/dbraw/zinc/73/67/58/945736758.db2.gz JJYRSOCSAAHRPR-RYUDHWBXSA-N -1 3 387.419 0.569 20 0 GCADHM CN1CC[C@H](C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)CC1=O ZINC001571276699 945736763 /nfs/dbraw/zinc/73/67/63/945736763.db2.gz JJYRSOCSAAHRPR-RYUDHWBXSA-N -1 3 387.419 0.569 20 0 GCADHM CO[C@H](C(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)C1CC1 ZINC001571277009 945739009 /nfs/dbraw/zinc/73/90/09/945739009.db2.gz MSFSFSACQMMFFL-GLQYFDAESA-N -1 3 387.419 0.863 20 0 GCADHM CO[C@H](C(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)C1CC1 ZINC001571277009 945739018 /nfs/dbraw/zinc/73/90/18/945739018.db2.gz MSFSFSACQMMFFL-GLQYFDAESA-N -1 3 387.419 0.863 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571277322 945740148 /nfs/dbraw/zinc/74/01/48/945740148.db2.gz OVLAHOPNQCLDES-BNOWGMLFSA-N -1 3 387.419 0.208 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571277322 945740153 /nfs/dbraw/zinc/74/01/53/945740153.db2.gz OVLAHOPNQCLDES-BNOWGMLFSA-N -1 3 387.419 0.208 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](c2ncccn2)C1 ZINC001571277692 945744167 /nfs/dbraw/zinc/74/41/67/945744167.db2.gz SDFMEGIDLYTVPE-GFCCVEGCSA-N -1 3 387.425 0.844 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](c2ncccn2)C1 ZINC001571277692 945744171 /nfs/dbraw/zinc/74/41/71/945744171.db2.gz SDFMEGIDLYTVPE-GFCCVEGCSA-N -1 3 387.425 0.844 20 0 GCADHM C[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001571277697 945744404 /nfs/dbraw/zinc/74/44/04/945744404.db2.gz SDRDORPYSUWKNU-NQBHXWOUSA-N -1 3 387.419 0.425 20 0 GCADHM C[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001571277697 945744410 /nfs/dbraw/zinc/74/44/10/945744410.db2.gz SDRDORPYSUWKNU-NQBHXWOUSA-N -1 3 387.419 0.425 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)cn1)CC2)[C@@]1(F)CCOC1 ZINC001571277747 945746615 /nfs/dbraw/zinc/74/66/15/945746615.db2.gz SOJWQBGHZIENPR-SCLBCKFNSA-N -1 3 387.419 0.865 20 0 GCADHM O=C(N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)cn1)CC2)[C@@]1(F)CCOC1 ZINC001571277747 945746625 /nfs/dbraw/zinc/74/66/25/945746625.db2.gz SOJWQBGHZIENPR-SCLBCKFNSA-N -1 3 387.419 0.865 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571277770 945747489 /nfs/dbraw/zinc/74/74/89/945747489.db2.gz SRNJSERNHRTCFO-NEPJUHHUSA-N -1 3 387.419 0.760 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571277770 945747492 /nfs/dbraw/zinc/74/74/92/945747492.db2.gz SRNJSERNHRTCFO-NEPJUHHUSA-N -1 3 387.419 0.760 20 0 GCADHM CO[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)c1ccsc1 ZINC001571277812 945747755 /nfs/dbraw/zinc/74/77/55/945747755.db2.gz TVPBLXPVKWWEDE-CHWSQXEVSA-N -1 3 387.425 0.526 20 0 GCADHM CO[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)c1ccsc1 ZINC001571277812 945747763 /nfs/dbraw/zinc/74/77/63/945747763.db2.gz TVPBLXPVKWWEDE-CHWSQXEVSA-N -1 3 387.425 0.526 20 0 GCADHM COCc1noc(CN2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571278101 945748707 /nfs/dbraw/zinc/74/87/07/945748707.db2.gz VVLLIPZHTKBORX-MRXNPFEDSA-N -1 3 387.404 0.119 20 0 GCADHM COCc1noc(CN2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571278101 945748713 /nfs/dbraw/zinc/74/87/13/945748713.db2.gz VVLLIPZHTKBORX-MRXNPFEDSA-N -1 3 387.404 0.119 20 0 GCADHM COc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H](C)CO3)CC2)cc1-c1nnn[n-]1 ZINC001571278637 945755553 /nfs/dbraw/zinc/75/55/53/945755553.db2.gz PXXZZMXGNKGBFH-DYVFJYSZSA-N -1 3 386.456 0.945 20 0 GCADHM COc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H](C)CO3)CC2)cc1-c1nn[n-]n1 ZINC001571278637 945755560 /nfs/dbraw/zinc/75/55/60/945755560.db2.gz PXXZZMXGNKGBFH-DYVFJYSZSA-N -1 3 386.456 0.945 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCN(C(=O)C2CCOCC2)CC1 ZINC001571278710 945757320 /nfs/dbraw/zinc/75/73/20/945757320.db2.gz ALGJDHJERLGYIF-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCN(C(=O)C2CCOCC2)CC1 ZINC001571278710 945757325 /nfs/dbraw/zinc/75/73/25/945757325.db2.gz ALGJDHJERLGYIF-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CCO[C@H]1C[C@H]1C(=O)N1CCC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571278720 945757714 /nfs/dbraw/zinc/75/77/14/945757714.db2.gz AUMCDWSXKVBRQS-DOMZBBRYSA-N -1 3 387.444 0.683 20 0 GCADHM CCO[C@H]1C[C@H]1C(=O)N1CCC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571278720 945757720 /nfs/dbraw/zinc/75/77/20/945757720.db2.gz AUMCDWSXKVBRQS-DOMZBBRYSA-N -1 3 387.444 0.683 20 0 GCADHM CO[C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571278811 945760142 /nfs/dbraw/zinc/76/01/42/945760142.db2.gz CNQIRCLJONHOJJ-QMPIGLIWSA-N -1 3 387.444 0.635 20 0 GCADHM CO[C@@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571278811 945760148 /nfs/dbraw/zinc/76/01/48/945760148.db2.gz CNQIRCLJONHOJJ-QMPIGLIWSA-N -1 3 387.444 0.635 20 0 GCADHM Cc1nsc(N2CCCN(C(=O)c3cn[nH]c(=O)c3)CC2)c1-c1nnn[n-]1 ZINC001571278746 945760315 /nfs/dbraw/zinc/76/03/15/945760315.db2.gz BHZRKDDLSFQOEG-UHFFFAOYSA-N -1 3 387.429 0.480 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(C(=O)C[C@H]2CCCOC2)C1 ZINC001571278750 945760539 /nfs/dbraw/zinc/76/05/39/945760539.db2.gz BJPQZVQKIFYEGS-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)C[C@H]2CCCOC2)C1 ZINC001571278750 945760547 /nfs/dbraw/zinc/76/05/47/945760547.db2.gz BJPQZVQKIFYEGS-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821631772 945761042 /nfs/dbraw/zinc/76/10/42/945761042.db2.gz RZCNTYAGBPUSGF-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821631772 945761048 /nfs/dbraw/zinc/76/10/48/945761048.db2.gz RZCNTYAGBPUSGF-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cnsn1 ZINC001571278799 945761074 /nfs/dbraw/zinc/76/10/74/945761074.db2.gz CJUNKHRISUGFGC-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cnsn1 ZINC001571278799 945761079 /nfs/dbraw/zinc/76/10/79/945761079.db2.gz CJUNKHRISUGFGC-PSASIEDQSA-N -1 3 387.429 0.469 20 0 GCADHM O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1csc(=O)[nH]1 ZINC001571278862 945763433 /nfs/dbraw/zinc/76/34/33/945763433.db2.gz DTNYBRLEUGUUOB-DTWKUNHWSA-N -1 3 387.429 0.829 20 0 GCADHM CN(C(=O)[C@]1(C)CCCOC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571278880 945763574 /nfs/dbraw/zinc/76/35/74/945763574.db2.gz FCDKYKBIFICPMJ-KPZWWZAWSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)[C@]1(C)CCCOC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571278880 945763580 /nfs/dbraw/zinc/76/35/80/945763580.db2.gz FCDKYKBIFICPMJ-KPZWWZAWSA-N -1 3 387.444 0.684 20 0 GCADHM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1csc(=O)[nH]1 ZINC001571278863 945763669 /nfs/dbraw/zinc/76/36/69/945763669.db2.gz DTNYBRLEUGUUOB-IUCAKERBSA-N -1 3 387.429 0.829 20 0 GCADHM C[C@@]1(C(=O)N2CCCC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001571278896 945765279 /nfs/dbraw/zinc/76/52/79/945765279.db2.gz FHYGJUMCMYSSMS-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001571278896 945765283 /nfs/dbraw/zinc/76/52/83/945765283.db2.gz FHYGJUMCMYSSMS-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571279003 945766561 /nfs/dbraw/zinc/76/65/61/945766561.db2.gz FTKHTUWNOLZURX-KWCYVHTRSA-N -1 3 387.444 0.588 20 0 GCADHM CC[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571279003 945766563 /nfs/dbraw/zinc/76/65/63/945766563.db2.gz FTKHTUWNOLZURX-KWCYVHTRSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(O)CC(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nnn[n-]3)nc1)CCO2 ZINC001571279041 945767167 /nfs/dbraw/zinc/76/71/67/945767167.db2.gz HDRRKYAISIRJQZ-SFHVURJKSA-N -1 3 387.444 0.230 20 0 GCADHM CC(C)(O)CC(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[n-]n3)nc1)CCO2 ZINC001571279041 945767171 /nfs/dbraw/zinc/76/71/71/945767171.db2.gz HDRRKYAISIRJQZ-SFHVURJKSA-N -1 3 387.444 0.230 20 0 GCADHM CC(C)(Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001571279050 945767771 /nfs/dbraw/zinc/76/77/71/945767771.db2.gz HHPBVAQIVGTRGE-KBPBESRZSA-N -1 3 387.444 0.520 20 0 GCADHM CC(C)(Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001571279050 945767774 /nfs/dbraw/zinc/76/77/74/945767774.db2.gz HHPBVAQIVGTRGE-KBPBESRZSA-N -1 3 387.444 0.520 20 0 GCADHM COC1CC(C(=O)N2CCCO[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571279117 945768634 /nfs/dbraw/zinc/76/86/34/945768634.db2.gz IYVHTHSQXRSURF-RUXDESIVSA-N -1 3 387.444 0.716 20 0 GCADHM COC1CC(C(=O)N2CCCO[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571279117 945768638 /nfs/dbraw/zinc/76/86/38/945768638.db2.gz IYVHTHSQXRSURF-RUXDESIVSA-N -1 3 387.444 0.716 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC(NC(=O)C[C@H]2CCCCO2)C1 ZINC001571279128 945770037 /nfs/dbraw/zinc/77/00/37/945770037.db2.gz JHUFNTFRRPZMKJ-WXRRBKDZSA-N -1 3 387.444 0.873 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC(NC(=O)C[C@H]2CCCCO2)C1 ZINC001571279128 945770045 /nfs/dbraw/zinc/77/00/45/945770045.db2.gz JHUFNTFRRPZMKJ-WXRRBKDZSA-N -1 3 387.444 0.873 20 0 GCADHM CC1(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001571279156 945771147 /nfs/dbraw/zinc/77/11/47/945771147.db2.gz KIOLNJHOMPAVJO-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001571279156 945771155 /nfs/dbraw/zinc/77/11/55/945771155.db2.gz KIOLNJHOMPAVJO-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279166 945771165 /nfs/dbraw/zinc/77/11/65/945771165.db2.gz KKBULCFYGCJRBC-JMSVASOKSA-N -1 3 387.444 0.588 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279166 945771173 /nfs/dbraw/zinc/77/11/73/945771173.db2.gz KKBULCFYGCJRBC-JMSVASOKSA-N -1 3 387.444 0.588 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001571279160 945771186 /nfs/dbraw/zinc/77/11/86/945771186.db2.gz KIVSMUHQKRABLZ-KGLIPLIRSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001571279160 945771196 /nfs/dbraw/zinc/77/11/96/945771196.db2.gz KIVSMUHQKRABLZ-KGLIPLIRSA-N -1 3 387.444 0.827 20 0 GCADHM Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001571279168 945771418 /nfs/dbraw/zinc/77/14/18/945771418.db2.gz KKPNCHBBWHPZSG-SECBINFHSA-N -1 3 387.425 0.709 20 0 GCADHM Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001571279168 945771422 /nfs/dbraw/zinc/77/14/22/945771422.db2.gz KKPNCHBBWHPZSG-SECBINFHSA-N -1 3 387.425 0.709 20 0 GCADHM CN(C(=O)[C@@H]1CCCOC1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279176 945771887 /nfs/dbraw/zinc/77/18/87/945771887.db2.gz KOILWFZJJVVCEM-GFCCVEGCSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)[C@@H]1CCCOC1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571279176 945771890 /nfs/dbraw/zinc/77/18/90/945771890.db2.gz KOILWFZJJVVCEM-GFCCVEGCSA-N -1 3 387.444 0.684 20 0 GCADHM O=C(COc1ccsc1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279250 945773068 /nfs/dbraw/zinc/77/30/68/945773068.db2.gz MABZCUKKJROHGY-UHFFFAOYSA-N -1 3 387.425 0.620 20 0 GCADHM O=C(COc1ccsc1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571279250 945773073 /nfs/dbraw/zinc/77/30/73/945773073.db2.gz MABZCUKKJROHGY-UHFFFAOYSA-N -1 3 387.425 0.620 20 0 GCADHM CO[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571279265 945773712 /nfs/dbraw/zinc/77/37/12/945773712.db2.gz MMYLCBYOZAWLRC-HUUCEWRRSA-N -1 3 387.444 0.731 20 0 GCADHM CO[C@@H]1CN(C(=O)CCC2CCC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571279265 945773719 /nfs/dbraw/zinc/77/37/19/945773719.db2.gz MMYLCBYOZAWLRC-HUUCEWRRSA-N -1 3 387.444 0.731 20 0 GCADHM CC1(C)CN(C(=O)c2csnn2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571279438 945777271 /nfs/dbraw/zinc/77/72/71/945777271.db2.gz OODXVAMBOFOMSM-NSHDSACASA-N -1 3 387.429 0.327 20 0 GCADHM CC1(C)CN(C(=O)c2csnn2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571279438 945777279 /nfs/dbraw/zinc/77/72/79/945777279.db2.gz OODXVAMBOFOMSM-NSHDSACASA-N -1 3 387.429 0.327 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CC[C@]2(C1)CN(c1ncccc1-c1nnn[n-]1)CCO2 ZINC001571279407 945777694 /nfs/dbraw/zinc/77/76/94/945777694.db2.gz NSGJVDYBABWVOK-RDTXWAMCSA-N -1 3 387.444 0.086 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CC[C@]2(C1)CN(c1ncccc1-c1nn[n-]n1)CCO2 ZINC001571279407 945777698 /nfs/dbraw/zinc/77/76/98/945777698.db2.gz NSGJVDYBABWVOK-RDTXWAMCSA-N -1 3 387.444 0.086 20 0 GCADHM C[C@](O)(CC(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001571279452 945777771 /nfs/dbraw/zinc/77/77/71/945777771.db2.gz OVYZTLPYNAFSMJ-SFHVURJKSA-N -1 3 387.444 0.420 20 0 GCADHM C[C@](O)(CC(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001571279452 945777778 /nfs/dbraw/zinc/77/77/78/945777778.db2.gz OVYZTLPYNAFSMJ-SFHVURJKSA-N -1 3 387.444 0.420 20 0 GCADHM CC1(C)CN(C(=O)c2csnn2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571279437 945777934 /nfs/dbraw/zinc/77/79/34/945777934.db2.gz OODXVAMBOFOMSM-LLVKDONJSA-N -1 3 387.429 0.327 20 0 GCADHM CC1(C)CN(C(=O)c2csnn2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571279437 945777942 /nfs/dbraw/zinc/77/79/42/945777942.db2.gz OODXVAMBOFOMSM-LLVKDONJSA-N -1 3 387.429 0.327 20 0 GCADHM Cc1nsc(NCc2cc(=O)[nH]c(CNC(=O)C3CC3)n2)c1-c1nnn[n-]1 ZINC001571279413 945778033 /nfs/dbraw/zinc/77/80/33/945778033.db2.gz OARWHBPGWGFDNJ-UHFFFAOYSA-N -1 3 387.429 0.766 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279493 945779335 /nfs/dbraw/zinc/77/93/35/945779335.db2.gz QDNOYWQNTWVGGM-KQFUTBAXSA-N -1 3 387.444 0.635 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)NCC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279493 945779342 /nfs/dbraw/zinc/77/93/42/945779342.db2.gz QDNOYWQNTWVGGM-KQFUTBAXSA-N -1 3 387.444 0.635 20 0 GCADHM Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)ncc1-c1nnn[n-]1 ZINC001571279499 945779356 /nfs/dbraw/zinc/77/93/56/945779356.db2.gz QMEXGFDTJILRBI-UHFFFAOYSA-N -1 3 387.425 0.456 20 0 GCADHM Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)ncc1-c1nn[n-]n1 ZINC001571279499 945779360 /nfs/dbraw/zinc/77/93/60/945779360.db2.gz QMEXGFDTJILRBI-UHFFFAOYSA-N -1 3 387.425 0.456 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001571279465 945779522 /nfs/dbraw/zinc/77/95/22/945779522.db2.gz PORHCCOWAOEQEK-ASHKBJFXSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001571279465 945779523 /nfs/dbraw/zinc/77/95/23/945779523.db2.gz PORHCCOWAOEQEK-ASHKBJFXSA-N -1 3 387.444 0.635 20 0 GCADHM CO[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571279483 945780687 /nfs/dbraw/zinc/78/06/87/945780687.db2.gz PWGCJGXTKNAAAI-HUUCEWRRSA-N -1 3 387.444 0.731 20 0 GCADHM CO[C@@H]1CN(C(=O)CC2CCCC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571279483 945780694 /nfs/dbraw/zinc/78/06/94/945780694.db2.gz PWGCJGXTKNAAAI-HUUCEWRRSA-N -1 3 387.444 0.731 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)CC1OCCCO1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571279597 945781405 /nfs/dbraw/zinc/78/14/05/945781405.db2.gz SPMDFJGWVORSBQ-AWEZNQCLSA-N -1 3 387.444 0.842 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)CC1OCCCO1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571279597 945781411 /nfs/dbraw/zinc/78/14/11/945781411.db2.gz SPMDFJGWVORSBQ-AWEZNQCLSA-N -1 3 387.444 0.842 20 0 GCADHM COC(=O)C[C@H](C)N1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000821657091 945781963 /nfs/dbraw/zinc/78/19/63/945781963.db2.gz HJIZWXYKPCLSSA-NPQIQWPPSA-N -1 3 384.440 0.976 20 0 GCADHM C[C@H]1CO[C@@H](C(=O)N(C)C2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001571279579 945782776 /nfs/dbraw/zinc/78/27/76/945782776.db2.gz SIAYGYDSLVPWNL-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H]1CO[C@@H](C(=O)N(C)C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001571279579 945782783 /nfs/dbraw/zinc/78/27/83/945782783.db2.gz SIAYGYDSLVPWNL-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)s1 ZINC001571279575 945782932 /nfs/dbraw/zinc/78/29/32/945782932.db2.gz SHYTVRSVURELAI-NEPJUHHUSA-N -1 3 387.425 0.180 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)s1 ZINC001571279575 945782938 /nfs/dbraw/zinc/78/29/38/945782938.db2.gz SHYTVRSVURELAI-NEPJUHHUSA-N -1 3 387.425 0.180 20 0 GCADHM C[C@@H]1CO[C@@H](C(=O)N2CCC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001571279726 945786435 /nfs/dbraw/zinc/78/64/35/945786435.db2.gz UFHKGUOHLJVENN-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1CO[C@@H](C(=O)N2CCC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001571279726 945786438 /nfs/dbraw/zinc/78/64/38/945786438.db2.gz UFHKGUOHLJVENN-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM CC[C@@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279712 945786665 /nfs/dbraw/zinc/78/66/65/945786665.db2.gz TUFNLRNOMAHBDS-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM CC[C@@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279712 945786672 /nfs/dbraw/zinc/78/66/72/945786672.db2.gz TUFNLRNOMAHBDS-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCCCO1 ZINC001571279802 945789196 /nfs/dbraw/zinc/78/91/96/945789196.db2.gz WGLCFZSIAGSYIN-ZFWWWQNUSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCCCO1 ZINC001571279802 945789205 /nfs/dbraw/zinc/78/92/05/945789205.db2.gz WGLCFZSIAGSYIN-ZFWWWQNUSA-N -1 3 387.444 0.827 20 0 GCADHM COc1csc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)c1 ZINC001571279805 945789472 /nfs/dbraw/zinc/78/94/72/945789472.db2.gz WJBGJBYNHOBQRU-OLZOCXBDSA-N -1 3 387.425 0.311 20 0 GCADHM COc1csc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)c1 ZINC001571279805 945789478 /nfs/dbraw/zinc/78/94/78/945789478.db2.gz WJBGJBYNHOBQRU-OLZOCXBDSA-N -1 3 387.425 0.311 20 0 GCADHM CO[C@H]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571279876 945791396 /nfs/dbraw/zinc/79/13/96/945791396.db2.gz YOKDPDRXLJHLRH-HIFRSBDPSA-N -1 3 387.444 0.684 20 0 GCADHM CO[C@H]1CCC[C@H]1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571279876 945791401 /nfs/dbraw/zinc/79/14/01/945791401.db2.gz YOKDPDRXLJHLRH-HIFRSBDPSA-N -1 3 387.444 0.684 20 0 GCADHM Cc1nsc(NC[C@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)c1-c1nnn[n-]1 ZINC001571279920 945791591 /nfs/dbraw/zinc/79/15/91/945791591.db2.gz ZMANNDFEPKQECI-SECBINFHSA-N -1 3 387.429 0.844 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573447832 945803555 /nfs/dbraw/zinc/80/35/55/945803555.db2.gz DQNDGHITBRLCKE-KCPJHIHWSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573447832 945803565 /nfs/dbraw/zinc/80/35/65/945803565.db2.gz DQNDGHITBRLCKE-KCPJHIHWSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573448316 945805871 /nfs/dbraw/zinc/80/58/71/945805871.db2.gz HTHGEPNULUHDRH-CQSZACIVSA-N -1 3 384.444 0.642 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573448316 945805875 /nfs/dbraw/zinc/80/58/75/945805875.db2.gz HTHGEPNULUHDRH-CQSZACIVSA-N -1 3 384.444 0.642 20 0 GCADHM CN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nnn[n-]3)s2)CC1=O ZINC001571281718 945812773 /nfs/dbraw/zinc/81/27/73/945812773.db2.gz MNDRBYBMNQNFMI-SRVKXCTJSA-N -1 3 387.469 0.192 20 0 GCADHM CN1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[n-]n3)s2)CC1=O ZINC001571281718 945812783 /nfs/dbraw/zinc/81/27/83/945812783.db2.gz MNDRBYBMNQNFMI-SRVKXCTJSA-N -1 3 387.469 0.192 20 0 GCADHM Cc1nsc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2[C@@H]3COC[C@@H]32)c1-c1nnn[n-]1 ZINC001571281767 945814602 /nfs/dbraw/zinc/81/46/02/945814602.db2.gz NPAAPNILZGBUHT-UZPTXHBLSA-N -1 3 387.469 0.704 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573449368 945818895 /nfs/dbraw/zinc/81/88/95/945818895.db2.gz ZXEYFASHVWTRBV-IAQYHMDHSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573449368 945818908 /nfs/dbraw/zinc/81/89/08/945818908.db2.gz ZXEYFASHVWTRBV-IAQYHMDHSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N1CCc2c(sc(NC(=O)c3nnn(C)c3C)c2-c2nnn[n-]2)C1 ZINC001573450351 945822640 /nfs/dbraw/zinc/82/26/40/945822640.db2.gz FYKSILCICRJRBT-UHFFFAOYSA-N -1 3 387.429 0.522 20 0 GCADHM CC(=O)N1CCc2c(sc(NC(=O)c3nnn(C)c3C)c2-c2nn[n-]n2)C1 ZINC001573450351 945822652 /nfs/dbraw/zinc/82/26/52/945822652.db2.gz FYKSILCICRJRBT-UHFFFAOYSA-N -1 3 387.429 0.522 20 0 GCADHM CCn1ncc(C(=O)N[C@@H](C)C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571282073 945827193 /nfs/dbraw/zinc/82/71/93/945827193.db2.gz SNXLAWALLJJZFX-JTQLQIEISA-N -1 3 387.473 0.790 20 0 GCADHM CCn1ncc(C(=O)N[C@H](C)C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571282075 945828545 /nfs/dbraw/zinc/82/85/45/945828545.db2.gz SNXLAWALLJJZFX-SNVBAGLBSA-N -1 3 387.473 0.790 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571282089 945828890 /nfs/dbraw/zinc/82/88/90/945828890.db2.gz CXNLUZIBSNRLMQ-JSGCOSHPSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571282089 945828909 /nfs/dbraw/zinc/82/89/09/945828909.db2.gz CXNLUZIBSNRLMQ-JSGCOSHPSA-N -1 3 387.444 0.732 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCC1(O)CCOCC1 ZINC000821701572 945835971 /nfs/dbraw/zinc/83/59/71/945835971.db2.gz TWVGOPWZTDTCRQ-UHFFFAOYSA-N -1 3 391.428 0.692 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCC1(O)CCOCC1 ZINC000821701572 945835987 /nfs/dbraw/zinc/83/59/87/945835987.db2.gz TWVGOPWZTDTCRQ-UHFFFAOYSA-N -1 3 391.428 0.692 20 0 GCADHM C[C@@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282264 945836102 /nfs/dbraw/zinc/83/61/02/945836102.db2.gz FOJLVLKFJYXHNM-UXIGCNINSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282264 945836110 /nfs/dbraw/zinc/83/61/10/945836110.db2.gz FOJLVLKFJYXHNM-UXIGCNINSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCOC2(CN(CC[C@@H]3CCCO3)C2)C1 ZINC001571282362 945842474 /nfs/dbraw/zinc/84/24/74/945842474.db2.gz IOYRRUXULSDSHB-AWEZNQCLSA-N -1 3 387.444 0.291 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573452117 945846394 /nfs/dbraw/zinc/84/63/94/945846394.db2.gz BCHFQURCDURVEE-SCLBCKFNSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573452117 945846409 /nfs/dbraw/zinc/84/64/09/945846409.db2.gz BCHFQURCDURVEE-SCLBCKFNSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573452115 945847658 /nfs/dbraw/zinc/84/76/58/945847658.db2.gz BCHFQURCDURVEE-ACJLOTCBSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573452115 945847675 /nfs/dbraw/zinc/84/76/75/945847675.db2.gz BCHFQURCDURVEE-ACJLOTCBSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001573452654 945853079 /nfs/dbraw/zinc/85/30/79/945853079.db2.gz GSDTWLGWGSUTHM-BDJLRTHQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573452654 945853096 /nfs/dbraw/zinc/85/30/96/945853096.db2.gz GSDTWLGWGSUTHM-BDJLRTHQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573453211 945856867 /nfs/dbraw/zinc/85/68/67/945856867.db2.gz JMGWPZFKZWVFFS-KBXCAEBGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573453211 945856873 /nfs/dbraw/zinc/85/68/73/945856873.db2.gz JMGWPZFKZWVFFS-KBXCAEBGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573453178 945857633 /nfs/dbraw/zinc/85/76/33/945857633.db2.gz JDQWXMOEIHOPIX-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573453178 945857653 /nfs/dbraw/zinc/85/76/53/945857653.db2.gz JDQWXMOEIHOPIX-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573453215 945858220 /nfs/dbraw/zinc/85/82/20/945858220.db2.gz JMGWPZFKZWVFFS-RDTXWAMCSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573453215 945858234 /nfs/dbraw/zinc/85/82/34/945858234.db2.gz JMGWPZFKZWVFFS-RDTXWAMCSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)CC[S@@]1=O ZINC001571282740 945858518 /nfs/dbraw/zinc/85/85/18/945858518.db2.gz PJANCLFAKUGBPG-ZZDSUILFSA-N -1 3 387.462 0.679 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)CC[S@@]1=O ZINC001571282740 945858527 /nfs/dbraw/zinc/85/85/27/945858527.db2.gz PJANCLFAKUGBPG-ZZDSUILFSA-N -1 3 387.462 0.679 20 0 GCADHM C[C@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)CC1 ZINC001571282703 945860018 /nfs/dbraw/zinc/86/00/18/945860018.db2.gz OBWJLEYIMWSDFA-FKGLVLAHSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)CC1 ZINC001571282703 945860027 /nfs/dbraw/zinc/86/00/27/945860027.db2.gz OBWJLEYIMWSDFA-FKGLVLAHSA-N -1 3 387.444 0.323 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N(C)CCNc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573453534 945861421 /nfs/dbraw/zinc/86/14/21/945861421.db2.gz LRPDMSMYPPAGFY-GOSISDBHSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N(C)CCNc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573453534 945861435 /nfs/dbraw/zinc/86/14/35/945861435.db2.gz LRPDMSMYPPAGFY-GOSISDBHSA-N -1 3 388.476 0.991 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571282817 945863662 /nfs/dbraw/zinc/86/36/62/945863662.db2.gz RVJYPGLXKDENCL-ZIAGYGMSSA-N -1 3 387.444 0.860 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571282817 945863669 /nfs/dbraw/zinc/86/36/69/945863669.db2.gz RVJYPGLXKDENCL-ZIAGYGMSSA-N -1 3 387.444 0.860 20 0 GCADHM O=C(C[C@H]1CCCCO1)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282902 945865943 /nfs/dbraw/zinc/86/59/43/945865943.db2.gz VCJVPYIILYNYDM-ZIAGYGMSSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(C[C@H]1CCCCO1)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282902 945865956 /nfs/dbraw/zinc/86/59/56/945865956.db2.gz VCJVPYIILYNYDM-ZIAGYGMSSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(NC1CCC(NC(=O)[C@H]2CCCCO2)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282878 945866650 /nfs/dbraw/zinc/86/66/50/945866650.db2.gz UCEFONAAMZMCIQ-SSDMNJCBSA-N -1 3 387.444 0.921 20 0 GCADHM O=C(NC1CCC(NC(=O)[C@H]2CCCCO2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282878 945866664 /nfs/dbraw/zinc/86/66/64/945866664.db2.gz UCEFONAAMZMCIQ-SSDMNJCBSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573453792 945867006 /nfs/dbraw/zinc/86/70/06/945867006.db2.gz QGBXNDYBWOFAQQ-SGTLLEGYSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573453792 945867015 /nfs/dbraw/zinc/86/70/15/945867015.db2.gz QGBXNDYBWOFAQQ-SGTLLEGYSA-N -1 3 388.476 0.977 20 0 GCADHM C[C@H](NC(=O)[C@H]1COCCO1)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571282896 945867284 /nfs/dbraw/zinc/86/72/84/945867284.db2.gz UYOAIHRUKWXBEA-SWLSCSKDSA-N -1 3 387.444 0.398 20 0 GCADHM C[C@H](NC(=O)[C@H]1COCCO1)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571282896 945867295 /nfs/dbraw/zinc/86/72/95/945867295.db2.gz UYOAIHRUKWXBEA-SWLSCSKDSA-N -1 3 387.444 0.398 20 0 GCADHM O=C(CCC1CCOCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571282973 945869359 /nfs/dbraw/zinc/86/93/59/945869359.db2.gz WZQDTRPVBFSMQJ-UHFFFAOYSA-N -1 3 387.444 0.686 20 0 GCADHM O=C(CCC1CCOCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571282973 945869371 /nfs/dbraw/zinc/86/93/71/945869371.db2.gz WZQDTRPVBFSMQJ-UHFFFAOYSA-N -1 3 387.444 0.686 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573453979 945869540 /nfs/dbraw/zinc/86/95/40/945869540.db2.gz SGMHKYXLNHTWOQ-XIKOKIGWSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)CNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573453979 945869556 /nfs/dbraw/zinc/86/95/56/945869556.db2.gz SGMHKYXLNHTWOQ-XIKOKIGWSA-N -1 3 388.476 0.977 20 0 GCADHM O=C(C[C@H]1CCCO1)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571282957 945869967 /nfs/dbraw/zinc/86/99/67/945869967.db2.gz WRFRKXPWPOFLIR-ACJLOTCBSA-N -1 3 387.444 0.596 20 0 GCADHM O=C(C[C@H]1CCCO1)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571282957 945869976 /nfs/dbraw/zinc/86/99/76/945869976.db2.gz WRFRKXPWPOFLIR-ACJLOTCBSA-N -1 3 387.444 0.596 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573454000 945870780 /nfs/dbraw/zinc/87/07/80/945870780.db2.gz SUZKRXMCIYDMMI-HNNXBMFYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573454000 945870800 /nfs/dbraw/zinc/87/08/00/945870800.db2.gz SUZKRXMCIYDMMI-HNNXBMFYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573454001 945871406 /nfs/dbraw/zinc/87/14/06/945871406.db2.gz SUZKRXMCIYDMMI-OAHLLOKOSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573454001 945871421 /nfs/dbraw/zinc/87/14/21/945871421.db2.gz SUZKRXMCIYDMMI-OAHLLOKOSA-N -1 3 386.460 0.509 20 0 GCADHM O=C(CC1OCCCO1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571283057 945873685 /nfs/dbraw/zinc/87/36/85/945873685.db2.gz YOSDFZHHYGLRLX-CQSZACIVSA-N -1 3 387.444 0.890 20 0 GCADHM O=C(CC1OCCCO1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571283057 945873694 /nfs/dbraw/zinc/87/36/94/945873694.db2.gz YOSDFZHHYGLRLX-CQSZACIVSA-N -1 3 387.444 0.890 20 0 GCADHM O=C(C[C@@H]1CCCOC1)N1CCO[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571283017 945873955 /nfs/dbraw/zinc/87/39/55/945873955.db2.gz YAQNRTYKCROFCQ-UONOGXRCSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(C[C@@H]1CCCOC1)N1CCO[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571283017 945873960 /nfs/dbraw/zinc/87/39/60/945873960.db2.gz YAQNRTYKCROFCQ-UONOGXRCSA-N -1 3 387.444 0.718 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573454316 945874726 /nfs/dbraw/zinc/87/47/26/945874726.db2.gz XLNXANRBRABQTL-MRXNPFEDSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573454316 945874734 /nfs/dbraw/zinc/87/47/34/945874734.db2.gz XLNXANRBRABQTL-MRXNPFEDSA-N -1 3 386.460 0.509 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571283142 945875204 /nfs/dbraw/zinc/87/52/04/945875204.db2.gz ZYYMQFWRSMOIAW-CYBMUJFWSA-N -1 3 387.444 0.454 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571283142 945875213 /nfs/dbraw/zinc/87/52/13/945875213.db2.gz ZYYMQFWRSMOIAW-CYBMUJFWSA-N -1 3 387.444 0.454 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001573454575 945878733 /nfs/dbraw/zinc/87/87/33/945878733.db2.gz ZVJSKHKLVFXRNX-INIZCTEOSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573454575 945878747 /nfs/dbraw/zinc/87/87/47/945878747.db2.gz ZVJSKHKLVFXRNX-INIZCTEOSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573456017 945886866 /nfs/dbraw/zinc/88/68/66/945886866.db2.gz IDQUJSJARPQJSW-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573456017 945886873 /nfs/dbraw/zinc/88/68/73/945886873.db2.gz IDQUJSJARPQJSW-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573456399 945889722 /nfs/dbraw/zinc/88/97/22/945889722.db2.gz KEYZSEMISSYVKG-QGHHPUGFSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573456399 945889733 /nfs/dbraw/zinc/88/97/33/945889733.db2.gz KEYZSEMISSYVKG-QGHHPUGFSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573456732 945896870 /nfs/dbraw/zinc/89/68/70/945896870.db2.gz NVQTZVKNQWHNHN-QGZVFWFLSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573456732 945896881 /nfs/dbraw/zinc/89/68/81/945896881.db2.gz NVQTZVKNQWHNHN-QGZVFWFLSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001573456910 945899570 /nfs/dbraw/zinc/89/95/70/945899570.db2.gz PWZAZEQXHCTIOD-ZDUSSCGKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001573456910 945899573 /nfs/dbraw/zinc/89/95/73/945899573.db2.gz PWZAZEQXHCTIOD-ZDUSSCGKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1)C(C)C ZINC001573457019 945902874 /nfs/dbraw/zinc/90/28/74/945902874.db2.gz SFARKPIWEZZFAJ-KRWDZBQOSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1)C(C)C ZINC001573457019 945902882 /nfs/dbraw/zinc/90/28/82/945902882.db2.gz SFARKPIWEZZFAJ-KRWDZBQOSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573457753 945906900 /nfs/dbraw/zinc/90/69/00/945906900.db2.gz ZRVYYGGVLZTEGG-UHFFFAOYSA-N -1 3 380.840 0.700 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573457753 945906905 /nfs/dbraw/zinc/90/69/05/945906905.db2.gz ZRVYYGGVLZTEGG-UHFFFAOYSA-N -1 3 380.840 0.700 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573457621 945906976 /nfs/dbraw/zinc/90/69/76/945906976.db2.gz XZNJIXBFRFQTOZ-CYBMUJFWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573457621 945906985 /nfs/dbraw/zinc/90/69/85/945906985.db2.gz XZNJIXBFRFQTOZ-CYBMUJFWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CC(Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573457580 945907219 /nfs/dbraw/zinc/90/72/19/945907219.db2.gz XOTSWFLZDMOGHB-UHFFFAOYSA-N -1 3 392.489 0.948 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573457710 945907683 /nfs/dbraw/zinc/90/76/83/945907683.db2.gz YWEHIFITWQXUPX-UHFFFAOYSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573457710 945907696 /nfs/dbraw/zinc/90/76/96/945907696.db2.gz YWEHIFITWQXUPX-UHFFFAOYSA-N -1 3 386.460 0.604 20 0 GCADHM CN1CCn2c(CNC(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)nnc2C1=O ZINC001571284917 945908688 /nfs/dbraw/zinc/90/86/88/945908688.db2.gz WPFMKBWADGRCMK-UHFFFAOYSA-N -1 3 387.791 0.127 20 0 GCADHM CN1CCn2c(CNC(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)nnc2C1=O ZINC001571284917 945908697 /nfs/dbraw/zinc/90/86/97/945908697.db2.gz WPFMKBWADGRCMK-UHFFFAOYSA-N -1 3 387.791 0.127 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573459403 945912515 /nfs/dbraw/zinc/91/25/15/945912515.db2.gz DWWBEBYNZCCJEA-UHFFFAOYSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573459403 945912522 /nfs/dbraw/zinc/91/25/22/945912522.db2.gz DWWBEBYNZCCJEA-UHFFFAOYSA-N -1 3 386.460 0.524 20 0 GCADHM CCN1C[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CC1=O ZINC001571285325 945913662 /nfs/dbraw/zinc/91/36/62/945913662.db2.gz BALZVSKBAXITQC-VXGBXAGGSA-N -1 3 388.407 0.282 20 0 GCADHM CCN1C[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CC1=O ZINC001571285325 945913674 /nfs/dbraw/zinc/91/36/74/945913674.db2.gz BALZVSKBAXITQC-VXGBXAGGSA-N -1 3 388.407 0.282 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001571285398 945915598 /nfs/dbraw/zinc/91/55/98/945915598.db2.gz CPBGBACUCYJTSR-KGLIPLIRSA-N -1 3 388.403 0.459 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571285398 945915607 /nfs/dbraw/zinc/91/56/07/945915607.db2.gz CPBGBACUCYJTSR-KGLIPLIRSA-N -1 3 388.403 0.459 20 0 GCADHM O=C1Nc2ccccc2C[C@@H]1NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571285408 945916028 /nfs/dbraw/zinc/91/60/28/945916028.db2.gz CSTCJBJXHDFFQW-AWEZNQCLSA-N -1 3 388.384 0.848 20 0 GCADHM O=C1Nc2ccccc2C[C@@H]1NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571285408 945916034 /nfs/dbraw/zinc/91/60/34/945916034.db2.gz CSTCJBJXHDFFQW-AWEZNQCLSA-N -1 3 388.384 0.848 20 0 GCADHM COCc1nocc1C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571285432 945916364 /nfs/dbraw/zinc/91/63/64/945916364.db2.gz DKCAYFVJILDASC-JTQLQIEISA-N -1 3 388.363 0.544 20 0 GCADHM COCc1nocc1C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571285432 945916372 /nfs/dbraw/zinc/91/63/72/945916372.db2.gz DKCAYFVJILDASC-JTQLQIEISA-N -1 3 388.363 0.544 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573460651 945917237 /nfs/dbraw/zinc/91/72/37/945917237.db2.gz LIUATEMNHDLJNF-FZMZJTMJSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573460651 945917239 /nfs/dbraw/zinc/91/72/39/945917239.db2.gz LIUATEMNHDLJNF-FZMZJTMJSA-N -1 3 386.460 0.825 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571285490 945917583 /nfs/dbraw/zinc/91/75/83/945917583.db2.gz GFVICKFIHHMWHV-CABCVRRESA-N -1 3 388.403 0.458 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571285490 945917600 /nfs/dbraw/zinc/91/76/00/945917600.db2.gz GFVICKFIHHMWHV-CABCVRRESA-N -1 3 388.403 0.458 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573460680 945917679 /nfs/dbraw/zinc/91/76/79/945917679.db2.gz LRPFQLZUBZMPKM-SNVBAGLBSA-N -1 3 378.462 0.559 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573460330 945917820 /nfs/dbraw/zinc/91/78/20/945917820.db2.gz KJFVOFORXWMFPK-AWEZNQCLSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573460330 945917830 /nfs/dbraw/zinc/91/78/30/945917830.db2.gz KJFVOFORXWMFPK-AWEZNQCLSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001573460431 945918163 /nfs/dbraw/zinc/91/81/63/945918163.db2.gz LDTLXOUOSZYBJQ-UHFFFAOYSA-N -1 3 387.444 0.639 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001573460431 945918168 /nfs/dbraw/zinc/91/81/68/945918168.db2.gz LDTLXOUOSZYBJQ-UHFFFAOYSA-N -1 3 387.444 0.639 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573460652 945918253 /nfs/dbraw/zinc/91/82/53/945918253.db2.gz LIUATEMNHDLJNF-RISCZKNCSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573460652 945918260 /nfs/dbraw/zinc/91/82/60/945918260.db2.gz LIUATEMNHDLJNF-RISCZKNCSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573460839 945919741 /nfs/dbraw/zinc/91/97/41/945919741.db2.gz MDTCMJHAVUHBFE-UHFFFAOYSA-N -1 3 392.489 0.949 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573461570 945922404 /nfs/dbraw/zinc/92/24/04/945922404.db2.gz PJYXGYNSRUTKQH-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573461570 945922410 /nfs/dbraw/zinc/92/24/10/945922410.db2.gz PJYXGYNSRUTKQH-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM CN1C[C@@H](C(=O)NC[C@H]2CCCN2c2cccc(F)c2-c2nnn[n-]2)NC1=O ZINC001571285743 945924884 /nfs/dbraw/zinc/92/48/84/945924884.db2.gz MSMBEBKMYBTNOW-PWSUYJOCSA-N -1 3 388.407 0.114 20 0 GCADHM CN1C[C@@H](C(=O)NC[C@H]2CCCN2c2cccc(F)c2-c2nn[n-]n2)NC1=O ZINC001571285743 945924891 /nfs/dbraw/zinc/92/48/91/945924891.db2.gz MSMBEBKMYBTNOW-PWSUYJOCSA-N -1 3 388.407 0.114 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573461889 945925085 /nfs/dbraw/zinc/92/50/85/945925085.db2.gz SVOKXYNNBOXOER-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573461889 945925094 /nfs/dbraw/zinc/92/50/94/945925094.db2.gz SVOKXYNNBOXOER-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573461969 945927267 /nfs/dbraw/zinc/92/72/67/945927267.db2.gz UQQDBZQKAYPPRH-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573461969 945927274 /nfs/dbraw/zinc/92/72/74/945927274.db2.gz UQQDBZQKAYPPRH-UHFFFAOYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573462068 945929983 /nfs/dbraw/zinc/92/99/83/945929983.db2.gz YDBAGRWZOVXNLD-HTQZYQBOSA-N -1 3 380.478 0.851 20 0 GCADHM CN1C[C@H](C(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)NC1=O ZINC001571285853 945930522 /nfs/dbraw/zinc/93/05/22/945930522.db2.gz PRZMXJUSPXXFGS-GIPNMCIBSA-N -1 3 388.407 0.336 20 0 GCADHM CN1C[C@H](C(=O)NC[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)NC1=O ZINC001571285853 945930532 /nfs/dbraw/zinc/93/05/32/945930532.db2.gz PRZMXJUSPXXFGS-GIPNMCIBSA-N -1 3 388.407 0.336 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001571285872 945931218 /nfs/dbraw/zinc/93/12/18/945931218.db2.gz PXQAUAHURXIWLI-VXGBXAGGSA-N -1 3 388.363 0.067 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001571285872 945931225 /nfs/dbraw/zinc/93/12/25/945931225.db2.gz PXQAUAHURXIWLI-VXGBXAGGSA-N -1 3 388.363 0.067 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001573462120 945932130 /nfs/dbraw/zinc/93/21/30/945932130.db2.gz AFCZQSFFLLAOBQ-NSHDSACASA-N -1 3 392.489 0.631 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573462121 945932463 /nfs/dbraw/zinc/93/24/63/945932463.db2.gz AFJGZHOMMRBSKD-GXTWGEPZSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573462121 945932471 /nfs/dbraw/zinc/93/24/71/945932471.db2.gz AFJGZHOMMRBSKD-GXTWGEPZSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573462148 945932574 /nfs/dbraw/zinc/93/25/74/945932574.db2.gz AUPHERRDZLOHKJ-AWEZNQCLSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573462148 945932580 /nfs/dbraw/zinc/93/25/80/945932580.db2.gz AUPHERRDZLOHKJ-AWEZNQCLSA-N -1 3 389.435 0.611 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)on1 ZINC001571285930 945932654 /nfs/dbraw/zinc/93/26/54/945932654.db2.gz RPBWSMRKEPFKEC-SECBINFHSA-N -1 3 388.363 0.654 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)on1 ZINC001571285930 945932656 /nfs/dbraw/zinc/93/26/56/945932656.db2.gz RPBWSMRKEPFKEC-SECBINFHSA-N -1 3 388.363 0.654 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285944 945933155 /nfs/dbraw/zinc/93/31/55/945933155.db2.gz RXPCBVMWYOQCGS-KGLIPLIRSA-N -1 3 388.403 0.363 20 0 GCADHM COC(=O)[C@H]1C[C@H]1C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571285944 945933157 /nfs/dbraw/zinc/93/31/57/945933157.db2.gz RXPCBVMWYOQCGS-KGLIPLIRSA-N -1 3 388.403 0.363 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ncc(F)cc2F)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571286034 945934526 /nfs/dbraw/zinc/93/45/26/945934526.db2.gz VMHPBPCXMOXYQR-VIFPVBQESA-N -1 3 388.338 0.513 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2ncc(F)cc2F)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571286034 945934534 /nfs/dbraw/zinc/93/45/34/945934534.db2.gz VMHPBPCXMOXYQR-VIFPVBQESA-N -1 3 388.338 0.513 20 0 GCADHM Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001571286006 945935739 /nfs/dbraw/zinc/93/57/39/945935739.db2.gz UPKWGQPOPXQDNY-UHFFFAOYSA-N -1 3 388.335 0.493 20 0 GCADHM Cn1nc(C(F)(F)F)cc1S(=O)(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001571286006 945935743 /nfs/dbraw/zinc/93/57/43/945935743.db2.gz UPKWGQPOPXQDNY-UHFFFAOYSA-N -1 3 388.335 0.493 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573462344 945936393 /nfs/dbraw/zinc/93/63/93/945936393.db2.gz GWQAPGFTPCEMLR-NSHDSACASA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573462344 945936405 /nfs/dbraw/zinc/93/64/05/945936405.db2.gz GWQAPGFTPCEMLR-NSHDSACASA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573462331 945936995 /nfs/dbraw/zinc/93/69/95/945936995.db2.gz GSXPBDJUGLJPFJ-GFCCVEGCSA-N -1 3 391.501 0.924 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CC(CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573462272 945938020 /nfs/dbraw/zinc/93/80/20/945938020.db2.gz FKCBHCPRGDTIGB-UHFFFAOYSA-N -1 3 392.489 0.853 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573462424 945940177 /nfs/dbraw/zinc/94/01/77/945940177.db2.gz IVAAAMXGFZANEO-UHFFFAOYSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573462424 945940181 /nfs/dbraw/zinc/94/01/81/945940181.db2.gz IVAAAMXGFZANEO-UHFFFAOYSA-N -1 3 386.460 0.792 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)[C@H](O)c1cccnc1 ZINC001571286314 945943096 /nfs/dbraw/zinc/94/30/96/945943096.db2.gz DLRMMBWSUZLYHK-NWDGAFQWSA-N -1 3 388.409 0.718 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)[C@H](O)c1cccnc1 ZINC001571286314 945943102 /nfs/dbraw/zinc/94/31/02/945943102.db2.gz DLRMMBWSUZLYHK-NWDGAFQWSA-N -1 3 388.409 0.718 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ncnn2CCF)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571286327 945945709 /nfs/dbraw/zinc/94/57/09/945945709.db2.gz DWHYTPOBDYVLMW-LBPRGKRZSA-N -1 3 388.411 0.150 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ncnn2CCF)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571286327 945945711 /nfs/dbraw/zinc/94/57/11/945945711.db2.gz DWHYTPOBDYVLMW-LBPRGKRZSA-N -1 3 388.411 0.150 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001573462966 945947317 /nfs/dbraw/zinc/94/73/17/945947317.db2.gz PWDQKFAMIQKJKG-RISCZKNCSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001573462966 945947324 /nfs/dbraw/zinc/94/73/24/945947324.db2.gz PWDQKFAMIQKJKG-RISCZKNCSA-N -1 3 386.460 0.650 20 0 GCADHM Cc1cc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cn2)ccc1S(N)(=O)=O ZINC001571286445 945948576 /nfs/dbraw/zinc/94/85/76/945948576.db2.gz HYVBXMUNNXBENY-UHFFFAOYSA-N -1 3 388.413 0.539 20 0 GCADHM Cc1cc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cn2)ccc1S(N)(=O)=O ZINC001571286445 945948588 /nfs/dbraw/zinc/94/85/88/945948588.db2.gz HYVBXMUNNXBENY-UHFFFAOYSA-N -1 3 388.413 0.539 20 0 GCADHM O=C(CN1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1)Nc1sccc1-c1nnn[n-]1 ZINC001571286521 945950646 /nfs/dbraw/zinc/95/06/46/945950646.db2.gz JVZQKPUDILNFKN-QMMMGPOBSA-N -1 3 388.413 0.557 20 0 GCADHM O=C(CN1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1)Nc1sccc1-c1nn[n-]n1 ZINC001571286521 945950651 /nfs/dbraw/zinc/95/06/51/945950651.db2.gz JVZQKPUDILNFKN-QMMMGPOBSA-N -1 3 388.413 0.557 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573463159 945951093 /nfs/dbraw/zinc/95/10/93/945951093.db2.gz RTDJLZLWAHSHGV-FZMZJTMJSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573463159 945951100 /nfs/dbraw/zinc/95/11/00/945951100.db2.gz RTDJLZLWAHSHGV-FZMZJTMJSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573463162 945952177 /nfs/dbraw/zinc/95/21/77/945952177.db2.gz RTVQLDWARHWSPA-CYBMUJFWSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573463162 945952187 /nfs/dbraw/zinc/95/21/87/945952187.db2.gz RTVQLDWARHWSPA-CYBMUJFWSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H](C)C1 ZINC001573463161 945952507 /nfs/dbraw/zinc/95/25/07/945952507.db2.gz RTDJLZLWAHSHGV-SMDDNHRTSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H](C)C1 ZINC001573463161 945952514 /nfs/dbraw/zinc/95/25/14/945952514.db2.gz RTDJLZLWAHSHGV-SMDDNHRTSA-N -1 3 386.460 0.650 20 0 GCADHM COC(=O)Cc1cccc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)c1 ZINC001571286562 945952687 /nfs/dbraw/zinc/95/26/87/945952687.db2.gz LCZVQGNVMHLFSM-UHFFFAOYSA-N -1 3 388.409 0.456 20 0 GCADHM COC(=O)Cc1cccc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)c1 ZINC001571286562 945952697 /nfs/dbraw/zinc/95/26/97/945952697.db2.gz LCZVQGNVMHLFSM-UHFFFAOYSA-N -1 3 388.409 0.456 20 0 GCADHM CCOC(=O)[C@H](C[C@@H]1CCCO1)N[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571286576 945953560 /nfs/dbraw/zinc/95/35/60/945953560.db2.gz LIUGYIBNGHPBFB-SOUVJXGZSA-N -1 3 388.428 0.484 20 0 GCADHM CCOC(=O)[C@H](C[C@@H]1CCCO1)N[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571286576 945953564 /nfs/dbraw/zinc/95/35/64/945953564.db2.gz LIUGYIBNGHPBFB-SOUVJXGZSA-N -1 3 388.428 0.484 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)c(C)n2)CCC1 ZINC001573463345 945954740 /nfs/dbraw/zinc/95/47/40/945954740.db2.gz VKHHAJJAIICZBY-UHFFFAOYSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)c(C)n2)CCC1 ZINC001573463345 945954750 /nfs/dbraw/zinc/95/47/50/945954750.db2.gz VKHHAJJAIICZBY-UHFFFAOYSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573463520 945956238 /nfs/dbraw/zinc/95/62/38/945956238.db2.gz XZZAAJYLNPXGSV-NSHDSACASA-N -1 3 392.489 0.489 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCNC(=O)C1 ZINC001571286859 945959744 /nfs/dbraw/zinc/95/97/44/945959744.db2.gz UCBHBYDPDPCMFL-JQWIXIFHSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCNC(=O)C1 ZINC001571286859 945959751 /nfs/dbraw/zinc/95/97/51/945959751.db2.gz UCBHBYDPDPCMFL-JQWIXIFHSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCN(Cc2ncnn2CCF)CC1 ZINC001571286910 945962357 /nfs/dbraw/zinc/96/23/57/945962357.db2.gz VEUQDKQEHHBRQK-UHFFFAOYSA-N -1 3 388.411 0.104 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCN(Cc2ncnn2CCF)CC1 ZINC001571286910 945962368 /nfs/dbraw/zinc/96/23/68/945962368.db2.gz VEUQDKQEHHBRQK-UHFFFAOYSA-N -1 3 388.411 0.104 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573464209 945963847 /nfs/dbraw/zinc/96/38/47/945963847.db2.gz HTKJHUBZGALMFL-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573464209 945963857 /nfs/dbraw/zinc/96/38/57/945963857.db2.gz HTKJHUBZGALMFL-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573464190 945964369 /nfs/dbraw/zinc/96/43/69/945964369.db2.gz HKTUUJGOYDXEOF-PHIMTYICSA-N -1 3 392.489 0.853 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573465228 945971649 /nfs/dbraw/zinc/97/16/49/945971649.db2.gz WCEFAYDHQLDFHL-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573465228 945971657 /nfs/dbraw/zinc/97/16/57/945971657.db2.gz WCEFAYDHQLDFHL-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467641 945983607 /nfs/dbraw/zinc/98/36/07/945983607.db2.gz GVYJOPNKPKWIJA-BXUZGUMPSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467641 945983616 /nfs/dbraw/zinc/98/36/16/945983616.db2.gz GVYJOPNKPKWIJA-BXUZGUMPSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573468133 945990789 /nfs/dbraw/zinc/99/07/89/945990789.db2.gz KYUQXCHGOATRAP-RKDXNWHRSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573468133 945990795 /nfs/dbraw/zinc/99/07/95/945990795.db2.gz KYUQXCHGOATRAP-RKDXNWHRSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573468339 945993056 /nfs/dbraw/zinc/99/30/56/945993056.db2.gz MMKCAFQBZZUZCF-SNVBAGLBSA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573468339 945993065 /nfs/dbraw/zinc/99/30/65/945993065.db2.gz MMKCAFQBZZUZCF-SNVBAGLBSA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573468358 945993553 /nfs/dbraw/zinc/99/35/53/945993553.db2.gz NDAXZZDDUMRWBK-DTWKUNHWSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573468358 945993559 /nfs/dbraw/zinc/99/35/59/945993559.db2.gz NDAXZZDDUMRWBK-DTWKUNHWSA-N -1 3 380.840 0.699 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822210868 945995968 /nfs/dbraw/zinc/99/59/68/945995968.db2.gz ULFFJWMENBUPQZ-BONVTDFDSA-N -1 3 398.379 0.373 20 0 GCADHM Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822210868 945995979 /nfs/dbraw/zinc/99/59/79/945995979.db2.gz ULFFJWMENBUPQZ-BONVTDFDSA-N -1 3 398.379 0.373 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2nccs2)CCCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571289385 946004120 /nfs/dbraw/zinc/00/41/20/946004120.db2.gz BHEGDFLLAJQDEZ-GFCCVEGCSA-N -1 3 388.457 0.672 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2nccs2)CCCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571289385 946004131 /nfs/dbraw/zinc/00/41/31/946004131.db2.gz BHEGDFLLAJQDEZ-GFCCVEGCSA-N -1 3 388.457 0.672 20 0 GCADHM Cc1csc(=O)n1CCN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571289471 946006483 /nfs/dbraw/zinc/00/64/83/946006483.db2.gz FOYSGQFUOCLQCP-GFCCVEGCSA-N -1 3 388.457 0.231 20 0 GCADHM CSc1ccc(CNC(=O)N[C@H](CO)c2cnn(C)c2)cc1-c1nnn[n-]1 ZINC001571289552 946008761 /nfs/dbraw/zinc/00/87/61/946008761.db2.gz HKELUTFLJFVXPK-CYBMUJFWSA-N -1 3 388.457 0.855 20 0 GCADHM CSc1ccc(CNC(=O)N[C@H](CO)c2cnn(C)c2)cc1-c1nn[n-]n1 ZINC001571289552 946008769 /nfs/dbraw/zinc/00/87/69/946008769.db2.gz HKELUTFLJFVXPK-CYBMUJFWSA-N -1 3 388.457 0.855 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573469932 946012941 /nfs/dbraw/zinc/01/29/41/946012941.db2.gz AENGOCUWJMJYJE-ONGXEEELSA-N -1 3 378.462 0.193 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573469942 946014562 /nfs/dbraw/zinc/01/45/62/946014562.db2.gz AFTUVWUGZRTBBR-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573469942 946014574 /nfs/dbraw/zinc/01/45/74/946014574.db2.gz AFTUVWUGZRTBBR-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nnn[n-]2)cc1F ZINC001573470088 946017591 /nfs/dbraw/zinc/01/75/91/946017591.db2.gz BABDKFGQTBXNMM-WQAKAFBOSA-N -1 3 388.407 0.105 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nn[n-]n2)cc1F ZINC001573470088 946017602 /nfs/dbraw/zinc/01/76/02/946017602.db2.gz BABDKFGQTBXNMM-WQAKAFBOSA-N -1 3 388.407 0.105 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573470596 946031210 /nfs/dbraw/zinc/03/12/10/946031210.db2.gz HPDJFGCXQBJBER-PWSUYJOCSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573470596 946031222 /nfs/dbraw/zinc/03/12/22/946031222.db2.gz HPDJFGCXQBJBER-PWSUYJOCSA-N -1 3 375.408 0.933 20 0 GCADHM Cn1nccc1C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290149 946032715 /nfs/dbraw/zinc/03/27/15/946032715.db2.gz WEPQNXNQCCMVEK-LLVKDONJSA-N -1 3 388.457 0.293 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470779 946037025 /nfs/dbraw/zinc/03/70/25/946037025.db2.gz JORSGCHDOYCYQA-GWCFXTLKSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470779 946037040 /nfs/dbraw/zinc/03/70/40/946037040.db2.gz JORSGCHDOYCYQA-GWCFXTLKSA-N -1 3 390.423 0.353 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001571290328 946037217 /nfs/dbraw/zinc/03/72/17/946037217.db2.gz APVNBJXDNGEDDI-SNVBAGLBSA-N -1 3 388.823 0.395 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001571290328 946037231 /nfs/dbraw/zinc/03/72/31/946037231.db2.gz APVNBJXDNGEDDI-SNVBAGLBSA-N -1 3 388.823 0.395 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573471336 946047849 /nfs/dbraw/zinc/04/78/49/946047849.db2.gz NUQWZSLPKOVIGA-CMPLNLGQSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573471443 946050312 /nfs/dbraw/zinc/05/03/12/946050312.db2.gz PAOMZPJLJUTXJP-JSGCOSHPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573471443 946050323 /nfs/dbraw/zinc/05/03/23/946050323.db2.gz PAOMZPJLJUTXJP-JSGCOSHPSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571290660 946051472 /nfs/dbraw/zinc/05/14/72/946051472.db2.gz KZZDPQHGGCRTSD-KCJUWKMLSA-N -1 3 388.823 0.441 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571290660 946051484 /nfs/dbraw/zinc/05/14/84/946051484.db2.gz KZZDPQHGGCRTSD-KCJUWKMLSA-N -1 3 388.823 0.441 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)Cn1cncn1 ZINC001571290733 946053509 /nfs/dbraw/zinc/05/35/09/946053509.db2.gz NNNHAMBTQGRVOO-CABZTGNLSA-N -1 3 388.823 0.608 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cn1cncn1 ZINC001571290733 946053523 /nfs/dbraw/zinc/05/35/23/946053523.db2.gz NNNHAMBTQGRVOO-CABZTGNLSA-N -1 3 388.823 0.608 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573471798 946054278 /nfs/dbraw/zinc/05/42/78/946054278.db2.gz RDVASBZYRUWTBK-BXKDBHETSA-N -1 3 392.851 0.477 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573471798 946054291 /nfs/dbraw/zinc/05/42/91/946054291.db2.gz RDVASBZYRUWTBK-BXKDBHETSA-N -1 3 392.851 0.477 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cn(C)nn1 ZINC001571290913 946059845 /nfs/dbraw/zinc/05/98/45/946059845.db2.gz ULGVAJGELYXHHL-LDYMZIIASA-N -1 3 388.823 0.759 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cn(C)nn1 ZINC001571290913 946059859 /nfs/dbraw/zinc/05/98/59/946059859.db2.gz ULGVAJGELYXHHL-LDYMZIIASA-N -1 3 388.823 0.759 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573472179 946060024 /nfs/dbraw/zinc/06/00/24/946060024.db2.gz UHKFTIYJGXZHHS-ZYHUDNBSSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573472179 946060040 /nfs/dbraw/zinc/06/00/40/946060040.db2.gz UHKFTIYJGXZHHS-ZYHUDNBSSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573472203 946060323 /nfs/dbraw/zinc/06/03/23/946060323.db2.gz USNSUUPMUTZEJP-KOLCDFICSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573472203 946060336 /nfs/dbraw/zinc/06/03/36/946060336.db2.gz USNSUUPMUTZEJP-KOLCDFICSA-N -1 3 392.851 0.700 20 0 GCADHM Cc1c(C(=O)N[C@H]2C[C@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)nnn1C ZINC001571290978 946063327 /nfs/dbraw/zinc/06/33/27/946063327.db2.gz WMJGOEKJIZXWHQ-MGCOHNPYSA-N -1 3 388.823 0.725 20 0 GCADHM Cc1c(C(=O)N[C@H]2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)nnn1C ZINC001571290978 946063340 /nfs/dbraw/zinc/06/33/40/946063340.db2.gz WMJGOEKJIZXWHQ-MGCOHNPYSA-N -1 3 388.823 0.725 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C(C)(C)C1 ZINC001573472351 946063547 /nfs/dbraw/zinc/06/35/47/946063547.db2.gz VQILSQHCEXLOHD-FZMZJTMJSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C(C)(C)C1 ZINC001573472351 946063557 /nfs/dbraw/zinc/06/35/57/946063557.db2.gz VQILSQHCEXLOHD-FZMZJTMJSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001573472912 946069823 /nfs/dbraw/zinc/06/98/23/946069823.db2.gz XURQFUFYDJRTRN-DFBGVHRSSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001573472912 946069837 /nfs/dbraw/zinc/06/98/37/946069837.db2.gz XURQFUFYDJRTRN-DFBGVHRSSA-N -1 3 384.444 0.356 20 0 GCADHM O=C(c1cnn(CCF)c1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571291263 946074721 /nfs/dbraw/zinc/07/47/21/946074721.db2.gz HXZNXORHDRBCSB-GFCCVEGCSA-N -1 3 389.370 0.893 20 0 GCADHM O=C(c1cnn(CCF)c1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571291263 946074732 /nfs/dbraw/zinc/07/47/32/946074732.db2.gz HXZNXORHDRBCSB-GFCCVEGCSA-N -1 3 389.370 0.893 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573473235 946077163 /nfs/dbraw/zinc/07/71/63/946077163.db2.gz AXLHITKVRMVDLB-POZPLHJXSA-N -1 3 378.462 0.415 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573473470 946080005 /nfs/dbraw/zinc/08/00/05/946080005.db2.gz CVCLIBTYZGCKHZ-YRGRVCCFSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573473470 946080019 /nfs/dbraw/zinc/08/00/19/946080019.db2.gz CVCLIBTYZGCKHZ-YRGRVCCFSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573473469 946080612 /nfs/dbraw/zinc/08/06/12/946080612.db2.gz CVCLIBTYZGCKHZ-MBNYWOFBSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573473469 946080625 /nfs/dbraw/zinc/08/06/25/946080625.db2.gz CVCLIBTYZGCKHZ-MBNYWOFBSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573473492 946080666 /nfs/dbraw/zinc/08/06/66/946080666.db2.gz DMRFFLXAQXVOKO-ZYHUDNBSSA-N -1 3 392.489 0.949 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CC1OCCCO1 ZINC001571291823 946083758 /nfs/dbraw/zinc/08/37/58/946083758.db2.gz QQBQAZPDQKXJGE-GHMZBOCLSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CC1OCCCO1 ZINC001571291823 946083767 /nfs/dbraw/zinc/08/37/67/946083767.db2.gz QQBQAZPDQKXJGE-GHMZBOCLSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CC1OCCCO1 ZINC001571291824 946084705 /nfs/dbraw/zinc/08/47/05/946084705.db2.gz QQBQAZPDQKXJGE-MNOVXSKESA-N -1 3 389.416 0.067 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CC1OCCCO1 ZINC001571291824 946084716 /nfs/dbraw/zinc/08/47/16/946084716.db2.gz QQBQAZPDQKXJGE-MNOVXSKESA-N -1 3 389.416 0.067 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O)c1cc(F)c[nH]1 ZINC001571292038 946086388 /nfs/dbraw/zinc/08/63/88/946086388.db2.gz TXOHUSPZMOYUDO-HUUCEWRRSA-N -1 3 389.366 0.448 20 0 GCADHM 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946091365 /nfs/dbraw/zinc/09/13/65/946091365.db2.gz KXYGTPRINBZEFM-JDNHERCYSA-N -1 3 392.489 0.853 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@](C)(CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573474382 946093076 /nfs/dbraw/zinc/09/30/76/946093076.db2.gz LCOAAWOJXDEAOL-HUTHGQBESA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@](C)(CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573474382 946093086 /nfs/dbraw/zinc/09/30/86/946093086.db2.gz LCOAAWOJXDEAOL-HUTHGQBESA-N -1 3 390.423 0.622 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571292244 946093514 /nfs/dbraw/zinc/09/35/14/946093514.db2.gz WJWRYYNVYGUPJX-GHMZBOCLSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571292244 946093526 /nfs/dbraw/zinc/09/35/26/946093526.db2.gz WJWRYYNVYGUPJX-GHMZBOCLSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571292374 946093827 /nfs/dbraw/zinc/09/38/27/946093827.db2.gz YPHAGUDDONGPHV-MFKMUULPSA-N -1 3 389.391 0.763 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2=COCCO2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571292374 946093840 /nfs/dbraw/zinc/09/38/40/946093840.db2.gz YPHAGUDDONGPHV-MFKMUULPSA-N -1 3 389.391 0.763 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573474789 946094242 /nfs/dbraw/zinc/09/42/42/946094242.db2.gz NKRIPAPEIMJILA-XUJVJEKNSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573474789 946094252 /nfs/dbraw/zinc/09/42/52/946094252.db2.gz NKRIPAPEIMJILA-XUJVJEKNSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573474672 946094801 /nfs/dbraw/zinc/09/48/01/946094801.db2.gz MTVNUKCYUSUZJX-GXTWGEPZSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573474672 946094810 /nfs/dbraw/zinc/09/48/10/946094810.db2.gz MTVNUKCYUSUZJX-GXTWGEPZSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573474816 946095121 /nfs/dbraw/zinc/09/51/21/946095121.db2.gz OAQOGLFSISWFPQ-CMPLNLGQSA-N -1 3 391.407 0.170 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573474816 946095132 /nfs/dbraw/zinc/09/51/32/946095132.db2.gz OAQOGLFSISWFPQ-CMPLNLGQSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001571292426 946095222 /nfs/dbraw/zinc/09/52/22/946095222.db2.gz ZLDQYTTXSOIPFT-WDEREUQCSA-N -1 3 389.391 0.938 20 0 GCADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001571292426 946095231 /nfs/dbraw/zinc/09/52/31/946095231.db2.gz ZLDQYTTXSOIPFT-WDEREUQCSA-N -1 3 389.391 0.938 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001573474958 946096780 /nfs/dbraw/zinc/09/67/80/946096780.db2.gz OZDFPLDPWPMIEI-CORIIIEPSA-N -1 3 384.444 0.214 20 0 GCADHM 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/nfs/dbraw/zinc/10/25/07/946102507.db2.gz WCTTYWNRJKXCQG-LBPRGKRZSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573475603 946102512 /nfs/dbraw/zinc/10/25/12/946102512.db2.gz WCTTYWNRJKXCQG-LBPRGKRZSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573475635 946103466 /nfs/dbraw/zinc/10/34/66/946103466.db2.gz WMXFMZJTRCBHNR-JRKPZEMJSA-N -1 3 376.396 0.184 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573475635 946103474 /nfs/dbraw/zinc/10/34/74/946103474.db2.gz WMXFMZJTRCBHNR-JRKPZEMJSA-N -1 3 376.396 0.184 20 0 GCADHM CO[C@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001571293553 946107399 /nfs/dbraw/zinc/10/73/99/946107399.db2.gz LAVYBVIVUCMFKH-DOMZBBRYSA-N -1 3 389.460 0.929 20 0 GCADHM CO[C@H](C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001571293553 946107407 /nfs/dbraw/zinc/10/74/07/946107407.db2.gz 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389.434 0.027 20 0 GCADHM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)C2)c1-c1nnn[n-]1 ZINC001571293941 946120353 /nfs/dbraw/zinc/12/03/53/946120353.db2.gz WQRMAHVBPNKHFI-HZGVNTEJSA-N -1 3 389.445 0.623 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573476558 946120975 /nfs/dbraw/zinc/12/09/75/946120975.db2.gz HYDKECQWZDMXJN-NHYWBVRUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573476558 946120980 /nfs/dbraw/zinc/12/09/80/946120980.db2.gz HYDKECQWZDMXJN-NHYWBVRUSA-N -1 3 386.460 0.873 20 0 GCADHM CC[C@H](OC)C(=O)N1CCC[C@@](CO)(Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571293959 946121390 /nfs/dbraw/zinc/12/13/90/946121390.db2.gz XBJYWIOGPQINBC-KBXCAEBGSA-N -1 3 389.460 0.761 20 0 GCADHM CC[C@H](OC)C(=O)N1CCC[C@@](CO)(Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571293959 946121399 /nfs/dbraw/zinc/12/13/99/946121399.db2.gz XBJYWIOGPQINBC-KBXCAEBGSA-N -1 3 389.460 0.761 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573476717 946123368 /nfs/dbraw/zinc/12/33/68/946123368.db2.gz IXYYGBCEVFKCBI-NHYWBVRUSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573476717 946123376 /nfs/dbraw/zinc/12/33/76/946123376.db2.gz IXYYGBCEVFKCBI-NHYWBVRUSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573476874 946125291 /nfs/dbraw/zinc/12/52/91/946125291.db2.gz KJVCSVPZRZRQHT-SMDDNHRTSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573476874 946125294 /nfs/dbraw/zinc/12/52/94/946125294.db2.gz KJVCSVPZRZRQHT-SMDDNHRTSA-N -1 3 389.435 0.611 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)c1cncnc1C1CC1 ZINC001571294063 946126062 /nfs/dbraw/zinc/12/60/62/946126062.db2.gz ZJQPJBMZRAOXTN-HALDLXJZSA-N -1 3 389.423 0.794 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)c1cncnc1C1CC1 ZINC001571294063 946126067 /nfs/dbraw/zinc/12/60/67/946126067.db2.gz ZJQPJBMZRAOXTN-HALDLXJZSA-N -1 3 389.423 0.794 20 0 GCADHM Cc1sc(NC(=O)CN(C)C[C@H]2CN(C)CCO2)c(-c2nnn[n-]2)c1C ZINC000822557532 946127253 /nfs/dbraw/zinc/12/72/53/946127253.db2.gz IUZRECBSFOMSGB-GFCCVEGCSA-N -1 3 379.490 0.746 20 0 GCADHM Cc1sc(NC(=O)CN(C)C[C@H]2CN(C)CCO2)c(-c2nn[n-]n2)c1C ZINC000822557532 946127261 /nfs/dbraw/zinc/12/72/61/946127261.db2.gz IUZRECBSFOMSGB-GFCCVEGCSA-N -1 3 379.490 0.746 20 0 GCADHM C[C@@]1(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)CCC(=O)NC1 ZINC001571294163 946128519 /nfs/dbraw/zinc/12/85/19/946128519.db2.gz BTUZHLIFEMDRFZ-QGZVFWFLSA-N -1 3 389.485 0.489 20 0 GCADHM Cc1sc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000822562671 946129163 /nfs/dbraw/zinc/12/91/63/946129163.db2.gz CWSPFNXPGBBRRO-KOLCDFICSA-N -1 3 398.514 0.991 20 0 GCADHM Cc1sc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(-c2nn[n-]n2)c1C ZINC000822562671 946129175 /nfs/dbraw/zinc/12/91/75/946129175.db2.gz CWSPFNXPGBBRRO-KOLCDFICSA-N -1 3 398.514 0.991 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294349 946131283 /nfs/dbraw/zinc/13/12/83/946131283.db2.gz GMFBTMJFHLKAOS-VXGBXAGGSA-N -1 3 389.485 0.535 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1(C)C ZINC001573477280 946132314 /nfs/dbraw/zinc/13/23/14/946132314.db2.gz NVMCQUNJQOPOBU-SMDDNHRTSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1(C)C ZINC001573477280 946132320 /nfs/dbraw/zinc/13/23/20/946132320.db2.gz NVMCQUNJQOPOBU-SMDDNHRTSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573477407 946133726 /nfs/dbraw/zinc/13/37/26/946133726.db2.gz QAFDNHCAPMCVMB-BDAKNGLRSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573477407 946133734 /nfs/dbraw/zinc/13/37/34/946133734.db2.gz QAFDNHCAPMCVMB-BDAKNGLRSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CC1(C)C ZINC001573477457 946136449 /nfs/dbraw/zinc/13/64/49/946136449.db2.gz QYCCWWGOVYAGBK-QMTHXVAHSA-N -1 3 391.501 0.779 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573477568 946138492 /nfs/dbraw/zinc/13/84/92/946138492.db2.gz RUOLEUVMNCLLNF-BTDLBPIBSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573477568 946138500 /nfs/dbraw/zinc/13/85/00/946138500.db2.gz RUOLEUVMNCLLNF-BTDLBPIBSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573477584 946140553 /nfs/dbraw/zinc/14/05/53/946140553.db2.gz SDTSPXBVWUFIGN-LDYMZIIASA-N -1 3 378.824 0.135 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573477584 946140562 /nfs/dbraw/zinc/14/05/62/946140562.db2.gz SDTSPXBVWUFIGN-LDYMZIIASA-N -1 3 378.824 0.135 20 0 GCADHM Cn1c(Cl)cnc1CN1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571294655 946140757 /nfs/dbraw/zinc/14/07/57/946140757.db2.gz KVRMGQAYSORJQH-UHFFFAOYSA-N -1 3 389.851 0.976 20 0 GCADHM Cn1c(Cl)cnc1CN1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571294655 946140768 /nfs/dbraw/zinc/14/07/68/946140768.db2.gz KVRMGQAYSORJQH-UHFFFAOYSA-N -1 3 389.851 0.976 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1ccoc1Cl ZINC001571294711 946142994 /nfs/dbraw/zinc/14/29/94/946142994.db2.gz LAJSBRLZNHSNQQ-VXGBXAGGSA-N -1 3 389.803 0.878 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1ccoc1Cl ZINC001571294711 946142998 /nfs/dbraw/zinc/14/29/98/946142998.db2.gz LAJSBRLZNHSNQQ-VXGBXAGGSA-N -1 3 389.803 0.878 20 0 GCADHM Cn1cc(Cl)c(CN2CC[C@](C)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571294873 946147204 /nfs/dbraw/zinc/14/72/04/946147204.db2.gz ONBZUORKHWOZSL-INIZCTEOSA-N -1 3 389.851 0.976 20 0 GCADHM Cn1cc(Cl)c(CN2CC[C@](C)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571294873 946147210 /nfs/dbraw/zinc/14/72/10/946147210.db2.gz ONBZUORKHWOZSL-INIZCTEOSA-N -1 3 389.851 0.976 20 0 GCADHM Cn1cc(C(=O)C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cn1 ZINC000822669942 946150491 /nfs/dbraw/zinc/15/04/91/946150491.db2.gz VZUAAEILCHUQNW-UHFFFAOYSA-N -1 3 396.411 0.383 20 0 GCADHM Cn1cc(C(=O)C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cn1 ZINC000822669942 946150496 /nfs/dbraw/zinc/15/04/96/946150496.db2.gz VZUAAEILCHUQNW-UHFFFAOYSA-N -1 3 396.411 0.383 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571295092 946152747 /nfs/dbraw/zinc/15/27/47/946152747.db2.gz SOJKLIJCXPRFAX-SKDRFNHKSA-N -1 3 390.379 0.160 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571295092 946152753 /nfs/dbraw/zinc/15/27/53/946152753.db2.gz SOJKLIJCXPRFAX-SKDRFNHKSA-N -1 3 390.379 0.160 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]21)c1cnsn1 ZINC001571295093 946153147 /nfs/dbraw/zinc/15/31/47/946153147.db2.gz SPTILKHDOFQXHJ-VROVMSAKSA-N -1 3 389.832 0.631 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]21)c1cnsn1 ZINC001571295093 946153157 /nfs/dbraw/zinc/15/31/57/946153157.db2.gz SPTILKHDOFQXHJ-VROVMSAKSA-N -1 3 389.832 0.631 20 0 GCADHM Cn1cc(Cl)c(CN2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001571295101 946154389 /nfs/dbraw/zinc/15/43/89/946154389.db2.gz SVGQDZWSQWVUAV-UHFFFAOYSA-N -1 3 389.851 0.976 20 0 GCADHM Cn1cc(Cl)c(CN2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001571295101 946154397 /nfs/dbraw/zinc/15/43/97/946154397.db2.gz SVGQDZWSQWVUAV-UHFFFAOYSA-N -1 3 389.851 0.976 20 0 GCADHM Cn1cc(NC(=O)C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000822685031 946155604 /nfs/dbraw/zinc/15/56/04/946155604.db2.gz QMKMMPKQYBPSPL-UHFFFAOYSA-N -1 3 396.411 0.609 20 0 GCADHM Cn1cc(N2CCN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)cn1 ZINC000822684568 946155630 /nfs/dbraw/zinc/15/56/30/946155630.db2.gz BQQFCCJDZUACDZ-UHFFFAOYSA-N -1 3 381.444 0.039 20 0 GCADHM Cn1cc(N2CCN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000822684568 946155637 /nfs/dbraw/zinc/15/56/37/946155637.db2.gz BQQFCCJDZUACDZ-UHFFFAOYSA-N -1 3 381.444 0.039 20 0 GCADHM Cn1cc(NC(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cn1 ZINC000822684633 946155698 /nfs/dbraw/zinc/15/56/98/946155698.db2.gz FOGVFGIFWGTGEO-UHFFFAOYSA-N -1 3 399.390 0.027 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573479237 946156468 /nfs/dbraw/zinc/15/64/68/946156468.db2.gz AWGBKKIHNCXWJZ-LLVKDONJSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573479237 946156471 /nfs/dbraw/zinc/15/64/71/946156471.db2.gz AWGBKKIHNCXWJZ-LLVKDONJSA-N -1 3 389.435 0.863 20 0 GCADHM Cn1nc2c(c1C(=O)N1CCN(c3ccc(-c4nnn[n-]4)cn3)CC1)CCCC2 ZINC000822703773 946160010 /nfs/dbraw/zinc/16/00/10/946160010.db2.gz CZWHXYPOBJPYCR-UHFFFAOYSA-N -1 3 393.455 0.836 20 0 GCADHM Cn1nc2c(c1C(=O)N1CCN(c3ccc(-c4nn[n-]n4)cn3)CC1)CCCC2 ZINC000822703773 946160014 /nfs/dbraw/zinc/16/00/14/946160014.db2.gz CZWHXYPOBJPYCR-UHFFFAOYSA-N -1 3 393.455 0.836 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC001573479535 946162650 /nfs/dbraw/zinc/16/26/50/946162650.db2.gz FBOOATJCWKOGTF-VIFPVBQESA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC001573479535 946162657 /nfs/dbraw/zinc/16/26/57/946162657.db2.gz FBOOATJCWKOGTF-VIFPVBQESA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573479527 946162847 /nfs/dbraw/zinc/16/28/47/946162847.db2.gz DYGCMEOYYJVMTC-ONGXEEELSA-N -1 3 392.851 0.382 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573479527 946162854 /nfs/dbraw/zinc/16/28/54/946162854.db2.gz DYGCMEOYYJVMTC-ONGXEEELSA-N -1 3 392.851 0.382 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573479812 946168449 /nfs/dbraw/zinc/16/84/49/946168449.db2.gz HRBMRRDZNKAHFL-QMTHXVAHSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573479812 946168453 /nfs/dbraw/zinc/16/84/53/946168453.db2.gz HRBMRRDZNKAHFL-QMTHXVAHSA-N -1 3 375.408 0.221 20 0 GCADHM CO[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@H]1CCOC1 ZINC001571295652 946169592 /nfs/dbraw/zinc/16/95/92/946169592.db2.gz AYLDUSUHGPCQGP-HFBAOOFYSA-N -1 3 390.419 0.358 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573480288 946173410 /nfs/dbraw/zinc/17/34/10/946173410.db2.gz KIJSKUIGQSLGFK-MFKMUULPSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573480288 946173414 /nfs/dbraw/zinc/17/34/14/946173414.db2.gz KIJSKUIGQSLGFK-MFKMUULPSA-N -1 3 375.408 0.221 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCOC1 ZINC001571295937 946178750 /nfs/dbraw/zinc/17/87/50/946178750.db2.gz JYHNREHBAWSNGM-ZIAGYGMSSA-N -1 3 390.419 0.359 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)[C@@H]1CCOC1 ZINC001571295937 946178754 /nfs/dbraw/zinc/17/87/54/946178754.db2.gz JYHNREHBAWSNGM-ZIAGYGMSSA-N -1 3 390.419 0.359 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCOC1 ZINC001571295936 946178826 /nfs/dbraw/zinc/17/88/26/946178826.db2.gz JYHNREHBAWSNGM-UONOGXRCSA-N -1 3 390.419 0.359 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)[C@H]1CCOC1 ZINC001571295936 946178830 /nfs/dbraw/zinc/17/88/30/946178830.db2.gz JYHNREHBAWSNGM-UONOGXRCSA-N -1 3 390.419 0.359 20 0 GCADHM Cc1onc(N)c1S(=O)(=O)N1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571295954 946178917 /nfs/dbraw/zinc/17/89/17/946178917.db2.gz KGVFAOXYKQVYMD-UHFFFAOYSA-N -1 3 390.429 0.709 20 0 GCADHM Cc1onc(N)c1S(=O)(=O)N1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571295954 946178921 /nfs/dbraw/zinc/17/89/21/946178921.db2.gz KGVFAOXYKQVYMD-UHFFFAOYSA-N -1 3 390.429 0.709 20 0 GCADHM CCN1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571296273 946190149 /nfs/dbraw/zinc/19/01/49/946190149.db2.gz SOXGIZMTEZQYLX-OCCSQVGLSA-N -1 3 390.423 0.134 20 0 GCADHM CCN1CCO[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571296273 946190157 /nfs/dbraw/zinc/19/01/57/946190157.db2.gz SOXGIZMTEZQYLX-OCCSQVGLSA-N -1 3 390.423 0.134 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1COCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001571296345 946192624 /nfs/dbraw/zinc/19/26/24/946192624.db2.gz VICZOIJPEKICJH-SNVBAGLBSA-N -1 3 390.429 0.563 20 0 GCADHM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)n2C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC001571296401 946194348 /nfs/dbraw/zinc/19/43/48/946194348.db2.gz XABZYHXCKILZIP-SNVBAGLBSA-N -1 3 390.429 0.322 20 0 GCADHM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)n2C)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC001571296401 946194359 /nfs/dbraw/zinc/19/43/59/946194359.db2.gz XABZYHXCKILZIP-SNVBAGLBSA-N -1 3 390.429 0.322 20 0 GCADHM O=C([C@H]1COCCO1)N1CCCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001571296458 946197519 /nfs/dbraw/zinc/19/75/19/946197519.db2.gz YOSFQYYDWQMWKM-MRXNPFEDSA-N -1 3 390.419 0.456 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CNc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001571297839 946198093 /nfs/dbraw/zinc/19/80/93/946198093.db2.gz BBKMDUNUKPETKS-LLVKDONJSA-N -1 3 390.473 0.370 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001571297865 946199346 /nfs/dbraw/zinc/19/93/46/946199346.db2.gz BSRSSUQKMOFWIJ-TUKIKUTGSA-N -1 3 390.469 0.497 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001571297865 946199354 /nfs/dbraw/zinc/19/93/54/946199354.db2.gz BSRSSUQKMOFWIJ-TUKIKUTGSA-N -1 3 390.469 0.497 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573482860 946204156 /nfs/dbraw/zinc/20/41/56/946204156.db2.gz AXMSRMQPAFUACK-IEBDPFPHSA-N -1 3 378.462 0.463 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822864558 946204129 /nfs/dbraw/zinc/20/41/29/946204129.db2.gz DCOKENXBEZIGIR-CJNGLKHVSA-N -1 3 383.456 0.950 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000822864647 946205179 /nfs/dbraw/zinc/20/51/79/946205179.db2.gz HIIMVVMJWCGJOU-LLVKDONJSA-N -1 3 395.427 0.362 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000822864647 946205191 /nfs/dbraw/zinc/20/51/91/946205191.db2.gz HIIMVVMJWCGJOU-LLVKDONJSA-N -1 3 395.427 0.362 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573483366 946208911 /nfs/dbraw/zinc/20/89/11/946208911.db2.gz FCFASVKXLFBCRR-PWSUYJOCSA-N -1 3 392.489 0.489 20 0 GCADHM O=C(CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)NC[C@@H]1C[C@H]1C1CCC1 ZINC001571298288 946210246 /nfs/dbraw/zinc/21/02/46/946210246.db2.gz MNPLYAAKOSJCIJ-ZFWWWQNUSA-N -1 3 390.469 0.697 20 0 GCADHM O=C(CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)NC[C@@H]1C[C@H]1C1CCC1 ZINC001571298288 946210252 /nfs/dbraw/zinc/21/02/52/946210252.db2.gz MNPLYAAKOSJCIJ-ZFWWWQNUSA-N -1 3 390.469 0.697 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573483698 946211139 /nfs/dbraw/zinc/21/11/39/946211139.db2.gz GYQZLTVMRDODCL-HLUHBDAQSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573483698 946211149 /nfs/dbraw/zinc/21/11/49/946211149.db2.gz GYQZLTVMRDODCL-HLUHBDAQSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573484017 946214158 /nfs/dbraw/zinc/21/41/58/946214158.db2.gz JGIFBWBBHWWCLH-BTQDYEIMSA-N -1 3 384.444 0.321 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573484017 946214168 /nfs/dbraw/zinc/21/41/68/946214168.db2.gz JGIFBWBBHWWCLH-BTQDYEIMSA-N -1 3 384.444 0.321 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC001571298444 946215193 /nfs/dbraw/zinc/21/51/93/946215193.db2.gz NYEQGCNVBJDHMZ-NDGTYSDOSA-N -1 3 390.469 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@]12C[C@H]1CCC2 ZINC001571298444 946215203 /nfs/dbraw/zinc/21/52/03/946215203.db2.gz NYEQGCNVBJDHMZ-NDGTYSDOSA-N -1 3 390.469 0.840 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573484563 946218020 /nfs/dbraw/zinc/21/80/20/946218020.db2.gz MNADKCIEYUQHEN-CUOATXAZSA-N -1 3 390.423 0.765 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573484563 946218032 /nfs/dbraw/zinc/21/80/32/946218032.db2.gz MNADKCIEYUQHEN-CUOATXAZSA-N -1 3 390.423 0.765 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573484930 946219668 /nfs/dbraw/zinc/21/96/68/946219668.db2.gz NLPGCDVEWZWMOR-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573484930 946219678 /nfs/dbraw/zinc/21/96/78/946219678.db2.gz NLPGCDVEWZWMOR-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCCC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573484628 946221961 /nfs/dbraw/zinc/22/19/61/946221961.db2.gz MZRVUGGAVQHBAY-WDEREUQCSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573484628 946221973 /nfs/dbraw/zinc/22/19/73/946221973.db2.gz MZRVUGGAVQHBAY-WDEREUQCSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001573485382 946222598 /nfs/dbraw/zinc/22/25/98/946222598.db2.gz RMJYTCNZTXVJPN-MBNYWOFBSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001573485382 946222604 /nfs/dbraw/zinc/22/26/04/946222604.db2.gz RMJYTCNZTXVJPN-MBNYWOFBSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573485350 946223626 /nfs/dbraw/zinc/22/36/26/946223626.db2.gz QWZGEPVOBPYTGA-JSGCOSHPSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573485350 946223637 /nfs/dbraw/zinc/22/36/37/946223637.db2.gz QWZGEPVOBPYTGA-JSGCOSHPSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573485393 946224934 /nfs/dbraw/zinc/22/49/34/946224934.db2.gz RVGOGIPJYZRARY-RYUDHWBXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573485393 946224945 /nfs/dbraw/zinc/22/49/45/946224945.db2.gz RVGOGIPJYZRARY-RYUDHWBXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1(CNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573485607 946228996 /nfs/dbraw/zinc/22/89/96/946228996.db2.gz WTVNSWPLZYQFPC-GFCCVEGCSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCC1(CNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573485607 946229002 /nfs/dbraw/zinc/22/90/02/946229002.db2.gz WTVNSWPLZYQFPC-GFCCVEGCSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573485756 946232143 /nfs/dbraw/zinc/23/21/43/946232143.db2.gz YIMRURKTPGXQOE-PWSUYJOCSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573485756 946232150 /nfs/dbraw/zinc/23/21/50/946232150.db2.gz YIMRURKTPGXQOE-PWSUYJOCSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573486037 946235653 /nfs/dbraw/zinc/23/56/53/946235653.db2.gz BYAZRLRZOOLFOL-UBHSHLNASA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573486037 946235662 /nfs/dbraw/zinc/23/56/62/946235662.db2.gz BYAZRLRZOOLFOL-UBHSHLNASA-N -1 3 386.460 0.873 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c1-c1nnn[n-]1 ZINC001571299068 946237155 /nfs/dbraw/zinc/23/71/55/946237155.db2.gz UEOTVBQBTRGXLW-MFKMUULPSA-N -1 3 390.469 0.676 20 0 GCADHM Cc1nsc(NC[C@]2(C)CCN(C(=O)[C@H]3CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571299044 946237716 /nfs/dbraw/zinc/23/77/16/946237716.db2.gz TVUMBYXZRDIBFR-HWPZZCPQSA-N -1 3 390.473 0.561 20 0 GCADHM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001573487418 946250870 /nfs/dbraw/zinc/25/08/70/946250870.db2.gz NUHPNFYIKXWMQL-HNNXBMFYSA-N -1 3 388.476 0.755 20 0 GCADHM CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001573487418 946250877 /nfs/dbraw/zinc/25/08/77/946250877.db2.gz NUHPNFYIKXWMQL-HNNXBMFYSA-N -1 3 388.476 0.755 20 0 GCADHM Cc1nsc(N[C@H]2CN(C(=O)CN3CCCC3=O)C[C@@H]2C)c1-c1nnn[n-]1 ZINC001571299667 946259840 /nfs/dbraw/zinc/25/98/40/946259840.db2.gz YVUYWUJQJYGSKU-ONGXEEELSA-N -1 3 390.473 0.513 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000823009263 946264889 /nfs/dbraw/zinc/26/48/89/946264889.db2.gz BHVNLIODCJPHMV-HUUCEWRRSA-N -1 3 390.469 0.847 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573488690 946271498 /nfs/dbraw/zinc/27/14/98/946271498.db2.gz IRYYQDKZXSDGBF-UHFFFAOYSA-N -1 3 386.460 0.571 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)c2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573488690 946271504 /nfs/dbraw/zinc/27/15/04/946271504.db2.gz IRYYQDKZXSDGBF-UHFFFAOYSA-N -1 3 386.460 0.571 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1coc(C(F)F)c1 ZINC001571301714 946281153 /nfs/dbraw/zinc/28/11/53/946281153.db2.gz AQKKZOGTDXFDSA-MNOVXSKESA-N -1 3 391.338 0.772 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1coc(C(F)F)c1 ZINC001571301714 946281164 /nfs/dbraw/zinc/28/11/64/946281164.db2.gz AQKKZOGTDXFDSA-MNOVXSKESA-N -1 3 391.338 0.772 20 0 GCADHM Cc1cc2c(cc1-c1nnn[n-]1)[nH]nc2NC(=O)C1(CS(C)(=O)=O)COC1 ZINC001571301718 946281354 /nfs/dbraw/zinc/28/13/54/946281354.db2.gz AURYAYGRXMCAIT-UHFFFAOYSA-N -1 3 391.413 0.051 20 0 GCADHM Cc1cc2c(cc1-c1nn[n-]n1)[nH]nc2NC(=O)C1(CS(C)(=O)=O)COC1 ZINC001571301718 946281362 /nfs/dbraw/zinc/28/13/62/946281362.db2.gz AURYAYGRXMCAIT-UHFFFAOYSA-N -1 3 391.413 0.051 20 0 GCADHM COc1ncc(NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)cc1-c1nnn[n-]1 ZINC001571301773 946282180 /nfs/dbraw/zinc/28/21/80/946282180.db2.gz CWUOKKMAQXYZGN-UHFFFAOYSA-N -1 3 391.388 0.191 20 0 GCADHM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573489027 946284926 /nfs/dbraw/zinc/28/49/26/946284926.db2.gz UXTMSVASGUNUKI-GFCCVEGCSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573489027 946284935 /nfs/dbraw/zinc/28/49/35/946284935.db2.gz UXTMSVASGUNUKI-GFCCVEGCSA-N -1 3 386.460 0.969 20 0 GCADHM CS(=O)(=O)C[C@H](O)CNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001571301921 946287368 /nfs/dbraw/zinc/28/73/68/946287368.db2.gz HUPPASCPRPJYMI-LLVKDONJSA-N -1 3 391.413 0.266 20 0 GCADHM CS(=O)(=O)C[C@H](O)CNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001571301921 946287378 /nfs/dbraw/zinc/28/73/78/946287378.db2.gz HUPPASCPRPJYMI-LLVKDONJSA-N -1 3 391.413 0.266 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@H]21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571301963 946287736 /nfs/dbraw/zinc/28/77/36/946287736.db2.gz JWELVAKFHAJCPA-GOONRYMUSA-N -1 3 391.382 0.817 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571301963 946287748 /nfs/dbraw/zinc/28/77/48/946287748.db2.gz JWELVAKFHAJCPA-GOONRYMUSA-N -1 3 391.382 0.817 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)C1CCOCC1 ZINC001571302015 946290812 /nfs/dbraw/zinc/29/08/12/946290812.db2.gz LSFFFMJRJFSBIF-ZDUSSCGKSA-N -1 3 391.407 0.149 20 0 GCADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)C1CCOCC1 ZINC001571302015 946290821 /nfs/dbraw/zinc/29/08/21/946290821.db2.gz LSFFFMJRJFSBIF-ZDUSSCGKSA-N -1 3 391.407 0.149 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)[C@H]1COCCO1 ZINC001571302136 946293303 /nfs/dbraw/zinc/29/33/03/946293303.db2.gz PHMRXANJSCDBHX-TZMCWYRMSA-N -1 3 391.407 0.291 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)[C@H]1COCCO1 ZINC001571302136 946293317 /nfs/dbraw/zinc/29/33/17/946293317.db2.gz PHMRXANJSCDBHX-TZMCWYRMSA-N -1 3 391.407 0.291 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823050423 946296857 /nfs/dbraw/zinc/29/68/57/946296857.db2.gz ZAMRADMPPFKHOJ-CQSZACIVSA-N -1 3 386.412 0.142 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823050423 946296867 /nfs/dbraw/zinc/29/68/67/946296867.db2.gz ZAMRADMPPFKHOJ-CQSZACIVSA-N -1 3 386.412 0.142 20 0 GCADHM NS(=O)(=O)c1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC001571302400 946303803 /nfs/dbraw/zinc/30/38/03/946303803.db2.gz WOHCXQXJRLZHNQ-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC001571302400 946303809 /nfs/dbraw/zinc/30/38/09/946303809.db2.gz WOHCXQXJRLZHNQ-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)[C@@H]1CCc2c[nH]nc2C1 ZINC001571302835 946314878 /nfs/dbraw/zinc/31/48/78/946314878.db2.gz HCSLVOTZXVHASH-KWAYOQMPSA-N -1 3 391.439 0.341 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)[C@@H]1CCc2c[nH]nc2C1 ZINC001571302835 946314892 /nfs/dbraw/zinc/31/48/92/946314892.db2.gz HCSLVOTZXVHASH-KWAYOQMPSA-N -1 3 391.439 0.341 20 0 GCADHM O=C(CCc1cnccn1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571302864 946318741 /nfs/dbraw/zinc/31/87/41/946318741.db2.gz HZKDUHZOQZDYPA-GOEBONIOSA-N -1 3 391.439 0.722 20 0 GCADHM O=C(CCc1cnccn1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571302864 946318753 /nfs/dbraw/zinc/31/87/53/946318753.db2.gz HZKDUHZOQZDYPA-GOEBONIOSA-N -1 3 391.439 0.722 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)[C@@H]1CCc2n[nH]cc2C1 ZINC001571302863 946319712 /nfs/dbraw/zinc/31/97/12/946319712.db2.gz HXJQDCMHAJIQHB-KWAYOQMPSA-N -1 3 391.439 0.341 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)[C@@H]1CCc2n[nH]cc2C1 ZINC001571302863 946319722 /nfs/dbraw/zinc/31/97/22/946319722.db2.gz HXJQDCMHAJIQHB-KWAYOQMPSA-N -1 3 391.439 0.341 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571303070 946324827 /nfs/dbraw/zinc/32/48/27/946324827.db2.gz KLKHLEUSEJLBHH-KGLIPLIRSA-N -1 3 391.439 0.959 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571303070 946324843 /nfs/dbraw/zinc/32/48/43/946324843.db2.gz KLKHLEUSEJLBHH-KGLIPLIRSA-N -1 3 391.439 0.959 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)c1c[nH]nc1C1CC1 ZINC001571303252 946328786 /nfs/dbraw/zinc/32/87/86/946328786.db2.gz MQWSBRRKNGSYOL-XMQYKBBCSA-N -1 3 391.439 0.974 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)c1c[nH]nc1C1CC1 ZINC001571303252 946328797 /nfs/dbraw/zinc/32/87/97/946328797.db2.gz MQWSBRRKNGSYOL-XMQYKBBCSA-N -1 3 391.439 0.974 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573496843 946334091 /nfs/dbraw/zinc/33/40/91/946334091.db2.gz DRXDBEDURJCQBN-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573496843 946334105 /nfs/dbraw/zinc/33/41/05/946334105.db2.gz DRXDBEDURJCQBN-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(CCc1cncnc1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571303454 946337958 /nfs/dbraw/zinc/33/79/58/946337958.db2.gz RCASRTGONCBJIK-IYBDPMFKSA-N -1 3 391.439 0.864 20 0 GCADHM O=C(CCc1cncnc1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571303454 946337966 /nfs/dbraw/zinc/33/79/66/946337966.db2.gz RCASRTGONCBJIK-IYBDPMFKSA-N -1 3 391.439 0.864 20 0 GCADHM O=C([C@H]1CCc2cncn2C1)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001571303529 946339355 /nfs/dbraw/zinc/33/93/55/946339355.db2.gz SEJSUAXRQCSUIY-QEJZJMRPSA-N -1 3 391.439 0.510 20 0 GCADHM O=C([C@H]1CCc2cncn2C1)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001571303529 946339368 /nfs/dbraw/zinc/33/93/68/946339368.db2.gz SEJSUAXRQCSUIY-QEJZJMRPSA-N -1 3 391.439 0.510 20 0 GCADHM CC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573497130 946342928 /nfs/dbraw/zinc/34/29/28/946342928.db2.gz LTBFGEVMLRNCET-CJNGLKHVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573497130 946342936 /nfs/dbraw/zinc/34/29/36/946342936.db2.gz LTBFGEVMLRNCET-CJNGLKHVSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000823210927 946343763 /nfs/dbraw/zinc/34/37/63/946343763.db2.gz HSRHLLKNIGXUSU-AWEZNQCLSA-N -1 3 386.334 0.954 20 0 GCADHM CC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573497318 946345345 /nfs/dbraw/zinc/34/53/45/946345345.db2.gz QCXRLHMVWJIATG-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573497318 946345356 /nfs/dbraw/zinc/34/53/56/946345356.db2.gz QCXRLHMVWJIATG-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573497322 946346752 /nfs/dbraw/zinc/34/67/52/946346752.db2.gz QCXRLHMVWJIATG-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573497322 946346765 /nfs/dbraw/zinc/34/67/65/946346765.db2.gz QCXRLHMVWJIATG-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001573497480 946349224 /nfs/dbraw/zinc/34/92/24/946349224.db2.gz RIXVQHSTBJKFGW-XJKSGUPXSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573497480 946349232 /nfs/dbraw/zinc/34/92/32/946349232.db2.gz RIXVQHSTBJKFGW-XJKSGUPXSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCO[C@@H](Cn2cncn2)C1 ZINC000823235437 946354139 /nfs/dbraw/zinc/35/41/39/946354139.db2.gz UXLTYUKIFHPBEL-CYBMUJFWSA-N -1 3 387.379 0.208 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCO[C@@H](Cn2cncn2)C1 ZINC000823235437 946354148 /nfs/dbraw/zinc/35/41/48/946354148.db2.gz UXLTYUKIFHPBEL-CYBMUJFWSA-N -1 3 387.379 0.208 20 0 GCADHM CC(=O)NCC(=O)N(C)CC[C@H](Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573498895 946362791 /nfs/dbraw/zinc/36/27/91/946362791.db2.gz AHZSOBJURQKWPU-HNNXBMFYSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(=O)N(C)CC[C@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573498895 946362800 /nfs/dbraw/zinc/36/28/00/946362800.db2.gz AHZSOBJURQKWPU-HNNXBMFYSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(=O)N(CCN(C)Cc1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001573499695 946368516 /nfs/dbraw/zinc/36/85/16/946368516.db2.gz FMUWWZKBMSKTNW-UHFFFAOYSA-N -1 3 379.490 0.733 20 0 GCADHM O=C(NCC1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCS1(=O)=O ZINC001571305786 946374530 /nfs/dbraw/zinc/37/45/30/946374530.db2.gz CUCXORXNFHNHGZ-KGPNIALWSA-N -1 3 391.457 0.146 20 0 GCADHM O=C(NCC1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCS1(=O)=O ZINC001571305786 946374545 /nfs/dbraw/zinc/37/45/45/946374545.db2.gz CUCXORXNFHNHGZ-KGPNIALWSA-N -1 3 391.457 0.146 20 0 GCADHM Cc1nn(C)c(C)c1[C@@H](O)CNS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC001571305918 946381072 /nfs/dbraw/zinc/38/10/72/946381072.db2.gz DMMUXXXOSUNNFB-LBPRGKRZSA-N -1 3 391.457 0.537 20 0 GCADHM Cc1nn(C)c(C)c1[C@@H](O)CNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC001571305918 946381082 /nfs/dbraw/zinc/38/10/82/946381082.db2.gz DMMUXXXOSUNNFB-LBPRGKRZSA-N -1 3 391.457 0.537 20 0 GCADHM O=C(C[C@H]1CCCS1(=O)=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571305945 946383186 /nfs/dbraw/zinc/38/31/86/946383186.db2.gz FHSKPHXGUJSCIZ-IJLUTSLNSA-N -1 3 391.457 0.288 20 0 GCADHM O=C(C[C@H]1CCCS1(=O)=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571305945 946383196 /nfs/dbraw/zinc/38/31/96/946383196.db2.gz FHSKPHXGUJSCIZ-IJLUTSLNSA-N -1 3 391.457 0.288 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573502008 946385939 /nfs/dbraw/zinc/38/59/39/946385939.db2.gz UBOPTNIHESRWEH-CQSZACIVSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N(CCN(C)Cc1cc(-c2nn[n-]n2)ccc1F)C(C)C ZINC001573502777 946391209 /nfs/dbraw/zinc/39/12/09/946391209.db2.gz YUBKBJVCXQWTNU-UHFFFAOYSA-N -1 3 391.451 0.811 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573503656 946396704 /nfs/dbraw/zinc/39/67/04/946396704.db2.gz ATYPEJOIJDFUDK-NSHDSACASA-N -1 3 378.462 0.195 20 0 GCADHM O=C(c1cc[nH]n1)N1C[C@@H]2CN(c3nc(-c4nnn[n-]4)c(Cl)s3)C[C@@H]2C1 ZINC001571306312 946397910 /nfs/dbraw/zinc/39/79/10/946397910.db2.gz SKOOPHTUACKECF-OCAPTIKFSA-N -1 3 391.848 0.908 20 0 GCADHM O=C(c1cc[nH]n1)N1C[C@@H]2CN(c3nc(-c4nn[n-]n4)c(Cl)s3)C[C@@H]2C1 ZINC001571306312 946397920 /nfs/dbraw/zinc/39/79/20/946397920.db2.gz SKOOPHTUACKECF-OCAPTIKFSA-N -1 3 391.848 0.908 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573503754 946400171 /nfs/dbraw/zinc/40/01/71/946400171.db2.gz BVKKDXZIYHWXCU-OLZOCXBDSA-N -1 3 387.419 0.712 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573503754 946400179 /nfs/dbraw/zinc/40/01/79/946400179.db2.gz BVKKDXZIYHWXCU-OLZOCXBDSA-N -1 3 387.419 0.712 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@]2(CCN(c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573503978 946401317 /nfs/dbraw/zinc/40/13/17/946401317.db2.gz CUCRTQJVHAALEY-GOSISDBHSA-N -1 3 387.419 0.571 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@]2(CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573503978 946401326 /nfs/dbraw/zinc/40/13/26/946401326.db2.gz CUCRTQJVHAALEY-GOSISDBHSA-N -1 3 387.419 0.571 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)[C@@H]2C1 ZINC001573504167 946406879 /nfs/dbraw/zinc/40/68/79/946406879.db2.gz GWUPHAIVDRRVOW-CFVMTHIKSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)[C@@H]2C1 ZINC001573504167 946406886 /nfs/dbraw/zinc/40/68/86/946406886.db2.gz GWUPHAIVDRRVOW-CFVMTHIKSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504516 946410250 /nfs/dbraw/zinc/41/02/50/946410250.db2.gz HFDRVYWNCKWOKK-ZYHUDNBSSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504516 946410255 /nfs/dbraw/zinc/41/02/55/946410255.db2.gz HFDRVYWNCKWOKK-ZYHUDNBSSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ncc(-c2nnn[n-]2)cc1F ZINC001573504557 946410402 /nfs/dbraw/zinc/41/04/02/946410402.db2.gz HLSFVHMKISKIGC-KGLIPLIRSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ncc(-c2nn[n-]n2)cc1F ZINC001573504557 946410404 /nfs/dbraw/zinc/41/04/04/946410404.db2.gz HLSFVHMKISKIGC-KGLIPLIRSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573504290 946410416 /nfs/dbraw/zinc/41/04/16/946410416.db2.gz GNMUTIYZPWYQDG-GFCCVEGCSA-N -1 3 375.408 0.792 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573504290 946410420 /nfs/dbraw/zinc/41/04/20/946410420.db2.gz GNMUTIYZPWYQDG-GFCCVEGCSA-N -1 3 375.408 0.792 20 0 GCADHM O=C(CS(=O)(=O)C1CC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571306825 946412053 /nfs/dbraw/zinc/41/20/53/946412053.db2.gz QYBMKSSMCFJTGJ-UHFFFAOYSA-N -1 3 391.453 0.814 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573504634 946412568 /nfs/dbraw/zinc/41/25/68/946412568.db2.gz IGKIILHYNDDFFH-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573504634 946412574 /nfs/dbraw/zinc/41/25/74/946412574.db2.gz IGKIILHYNDDFFH-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573504749 946414185 /nfs/dbraw/zinc/41/41/85/946414185.db2.gz JFCJQVRKFFVQOO-FZMZJTMJSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573504749 946414195 /nfs/dbraw/zinc/41/41/95/946414195.db2.gz JFCJQVRKFFVQOO-FZMZJTMJSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504805 946415302 /nfs/dbraw/zinc/41/53/02/946415302.db2.gz KLEQTPOBMINTNM-MFKMUULPSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504805 946415309 /nfs/dbraw/zinc/41/53/09/946415309.db2.gz KLEQTPOBMINTNM-MFKMUULPSA-N -1 3 390.423 0.433 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001571307043 946416608 /nfs/dbraw/zinc/41/66/08/946416608.db2.gz UYQKKZPPBGGPGH-QWRGUYRKSA-N -1 3 391.457 0.479 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573505118 946416775 /nfs/dbraw/zinc/41/67/75/946416775.db2.gz JZBISDYMHLASPE-CABCVRRESA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573505118 946416778 /nfs/dbraw/zinc/41/67/78/946416778.db2.gz JZBISDYMHLASPE-CABCVRRESA-N -1 3 384.444 0.276 20 0 GCADHM O=C([C@H]1CCCS1(=O)=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571307169 946417981 /nfs/dbraw/zinc/41/79/81/946417981.db2.gz YTKROUPKBDRQIS-QWHCGFSZSA-N -1 3 391.457 0.242 20 0 GCADHM O=C([C@H]1CCCS1(=O)=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571307169 946417986 /nfs/dbraw/zinc/41/79/86/946417986.db2.gz YTKROUPKBDRQIS-QWHCGFSZSA-N -1 3 391.457 0.242 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571307137 946418332 /nfs/dbraw/zinc/41/83/32/946418332.db2.gz XXZZYNMHWXHEJE-AAEUAGOBSA-N -1 3 391.457 0.099 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571307137 946418338 /nfs/dbraw/zinc/41/83/38/946418338.db2.gz XXZZYNMHWXHEJE-AAEUAGOBSA-N -1 3 391.457 0.099 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573505297 946418739 /nfs/dbraw/zinc/41/87/39/946418739.db2.gz MBGGRGTZBOVBRP-BXUZGUMPSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573505297 946418744 /nfs/dbraw/zinc/41/87/44/946418744.db2.gz MBGGRGTZBOVBRP-BXUZGUMPSA-N -1 3 386.460 0.603 20 0 GCADHM CCOC(=O)C[C@@H](O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC001571307230 946420380 /nfs/dbraw/zinc/42/03/80/946420380.db2.gz AEIWIBNZWVAQCL-GFCCVEGCSA-N -1 3 392.372 0.688 20 0 GCADHM CCOC(=O)C[C@@H](O)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC001571307230 946420388 /nfs/dbraw/zinc/42/03/88/946420388.db2.gz AEIWIBNZWVAQCL-GFCCVEGCSA-N -1 3 392.372 0.688 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573505630 946423318 /nfs/dbraw/zinc/42/33/18/946423318.db2.gz MDMLFAAGWDUKEB-IAQYHMDHSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573505630 946423323 /nfs/dbraw/zinc/42/33/23/946423323.db2.gz MDMLFAAGWDUKEB-IAQYHMDHSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573505631 946424712 /nfs/dbraw/zinc/42/47/12/946424712.db2.gz MDMLFAAGWDUKEB-NHYWBVRUSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573505631 946424719 /nfs/dbraw/zinc/42/47/19/946424719.db2.gz MDMLFAAGWDUKEB-NHYWBVRUSA-N -1 3 386.460 0.745 20 0 GCADHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)NCCn1cc(Br)ccc1=O ZINC001571307598 946424792 /nfs/dbraw/zinc/42/47/92/946424792.db2.gz FXZKRDXRZQJAII-UHFFFAOYSA-N -1 3 392.217 0.857 20 0 GCADHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)NCCn1cc(Br)ccc1=O ZINC001571307598 946424800 /nfs/dbraw/zinc/42/48/00/946424800.db2.gz FXZKRDXRZQJAII-UHFFFAOYSA-N -1 3 392.217 0.857 20 0 GCADHM CC[C@@](C)(NS(=O)(=O)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)C(N)=O ZINC001571307561 946424924 /nfs/dbraw/zinc/42/49/24/946424924.db2.gz FBUINVZCOZQZAM-GFCCVEGCSA-N -1 3 392.363 0.818 20 0 GCADHM CC[C@@](C)(NS(=O)(=O)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)C(N)=O ZINC001571307561 946424930 /nfs/dbraw/zinc/42/49/30/946424930.db2.gz FBUINVZCOZQZAM-GFCCVEGCSA-N -1 3 392.363 0.818 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573506036 946428079 /nfs/dbraw/zinc/42/80/79/946428079.db2.gz OELGGIZIOAFMOP-XHDPSFHLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573506036 946428083 /nfs/dbraw/zinc/42/80/83/946428083.db2.gz OELGGIZIOAFMOP-XHDPSFHLSA-N -1 3 386.460 0.745 20 0 GCADHM Cn1cncc1[C@@H](CO)NC(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001571308073 946428861 /nfs/dbraw/zinc/42/88/61/946428861.db2.gz LGFGNTMFLHKKEE-SNVBAGLBSA-N -1 3 392.217 0.826 20 0 GCADHM Cn1cncc1[C@@H](CO)NC(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001571308073 946428873 /nfs/dbraw/zinc/42/88/73/946428873.db2.gz LGFGNTMFLHKKEE-SNVBAGLBSA-N -1 3 392.217 0.826 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573506289 946430754 /nfs/dbraw/zinc/43/07/54/946430754.db2.gz PAJOFMWEKZELEG-OAHLLOKOSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573506347 946433132 /nfs/dbraw/zinc/43/31/32/946433132.db2.gz QZHVNWQNVGUAFC-UHFFFAOYSA-N -1 3 378.462 0.418 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](N(C)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573506343 946433329 /nfs/dbraw/zinc/43/33/29/946433329.db2.gz QYWBKODZCAHRQU-AWEZNQCLSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573506343 946433334 /nfs/dbraw/zinc/43/33/34/946433334.db2.gz QYWBKODZCAHRQU-AWEZNQCLSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001573506675 946434842 /nfs/dbraw/zinc/43/48/42/946434842.db2.gz RHWWKLCIRIQOQA-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@]2(C1)CCCN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001573506675 946434846 /nfs/dbraw/zinc/43/48/46/946434846.db2.gz RHWWKLCIRIQOQA-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM NS(=O)(=O)N1CCC(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC001571308610 946435357 /nfs/dbraw/zinc/43/53/57/946435357.db2.gz SHYVFQVBWAFKNT-UHFFFAOYSA-N -1 3 392.367 0.360 20 0 GCADHM NS(=O)(=O)N1CCC(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC001571308610 946435363 /nfs/dbraw/zinc/43/53/63/946435363.db2.gz SHYVFQVBWAFKNT-UHFFFAOYSA-N -1 3 392.367 0.360 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573506734 946436548 /nfs/dbraw/zinc/43/65/48/946436548.db2.gz SWMMCRNIBDLYPH-SWLSCSKDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573506734 946436555 /nfs/dbraw/zinc/43/65/55/946436555.db2.gz SWMMCRNIBDLYPH-SWLSCSKDSA-N -1 3 386.460 0.827 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O)C1(F)CCCC1 ZINC001571308878 946437285 /nfs/dbraw/zinc/43/72/85/946437285.db2.gz UHPBFQLJEQWTHU-HUUCEWRRSA-N -1 3 392.410 0.949 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O)C1(F)CCCC1 ZINC001571308878 946437288 /nfs/dbraw/zinc/43/72/88/946437288.db2.gz UHPBFQLJEQWTHU-HUUCEWRRSA-N -1 3 392.410 0.949 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573506887 946438750 /nfs/dbraw/zinc/43/87/50/946438750.db2.gz VIYJBLCKZNUXEO-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573506887 946438753 /nfs/dbraw/zinc/43/87/53/946438753.db2.gz VIYJBLCKZNUXEO-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573507272 946445162 /nfs/dbraw/zinc/44/51/62/946445162.db2.gz WJLJFIIYXPBAIX-GXTWGEPZSA-N -1 3 387.419 0.569 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573507272 946445169 /nfs/dbraw/zinc/44/51/69/946445169.db2.gz WJLJFIIYXPBAIX-GXTWGEPZSA-N -1 3 387.419 0.569 20 0 GCADHM Cc1nc(N2C[C@@H]3[C@@H](CNC(=O)c4ccc(=O)[nH]c4)[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001571309472 946445474 /nfs/dbraw/zinc/44/54/74/946445474.db2.gz AZXOLJYHLURTEC-QKDCVEJESA-N -1 3 392.423 0.783 20 0 GCADHM Cc1nc(N2C[C@@H]3[C@@H](CNC(=O)c4ccc(=O)[nH]c4)[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001571309472 946445482 /nfs/dbraw/zinc/44/54/82/946445482.db2.gz AZXOLJYHLURTEC-QKDCVEJESA-N -1 3 392.423 0.783 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CNc2snc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573507453 946446287 /nfs/dbraw/zinc/44/62/87/946446287.db2.gz YAQJBEXGZZFGBF-CABZTGNLSA-N -1 3 392.489 0.664 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CCN2c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573507650 946446872 /nfs/dbraw/zinc/44/68/72/946446872.db2.gz WJLJFIIYXPBAIX-JSGCOSHPSA-N -1 3 387.419 0.569 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573507650 946446878 /nfs/dbraw/zinc/44/68/78/946446878.db2.gz WJLJFIIYXPBAIX-JSGCOSHPSA-N -1 3 387.419 0.569 20 0 GCADHM O=S(=O)(CCN1CCC[C@H](OCCO)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562592 946448032 /nfs/dbraw/zinc/44/80/32/946448032.db2.gz UCEWYGZEFPHPJA-AWEZNQCLSA-N -1 3 381.458 0.114 20 0 GCADHM O=S(=O)(CCN1CCC[C@H](OCCO)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562592 946448038 /nfs/dbraw/zinc/44/80/38/946448038.db2.gz UCEWYGZEFPHPJA-AWEZNQCLSA-N -1 3 381.458 0.114 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001573507746 946450111 /nfs/dbraw/zinc/45/01/11/946450111.db2.gz XUFCUDAWTFCVNC-DOMZBBRYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001573507746 946450116 /nfs/dbraw/zinc/45/01/16/946450116.db2.gz XUFCUDAWTFCVNC-DOMZBBRYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573507668 946450891 /nfs/dbraw/zinc/45/08/91/946450891.db2.gz WJRPYXGGHOBATI-BLLLJJGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573507668 946450897 /nfs/dbraw/zinc/45/08/97/946450897.db2.gz WJRPYXGGHOBATI-BLLLJJGKSA-N -1 3 386.460 0.827 20 0 GCADHM COc1cccnc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571309675 946451430 /nfs/dbraw/zinc/45/14/30/946451430.db2.gz HKOZPUADCZSVRM-KBPBESRZSA-N -1 3 392.423 0.698 20 0 GCADHM COc1cccnc1CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571309675 946451438 /nfs/dbraw/zinc/45/14/38/946451438.db2.gz HKOZPUADCZSVRM-KBPBESRZSA-N -1 3 392.423 0.698 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001573507749 946452373 /nfs/dbraw/zinc/45/23/73/946452373.db2.gz XUFCUDAWTFCVNC-WFASDCNBSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001573507749 946452380 /nfs/dbraw/zinc/45/23/80/946452380.db2.gz XUFCUDAWTFCVNC-WFASDCNBSA-N -1 3 386.460 0.827 20 0 GCADHM O=S(=O)(NC[C@H](CO)Cc1cccnc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571309771 946452922 /nfs/dbraw/zinc/45/29/22/946452922.db2.gz KGGZBQTUQTUSIP-GFCCVEGCSA-N -1 3 392.416 0.530 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573508897 946454499 /nfs/dbraw/zinc/45/44/99/946454499.db2.gz AOOPQWMSMVCYIL-ZDUSSCGKSA-N -1 3 390.423 0.720 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573508897 946454503 /nfs/dbraw/zinc/45/45/03/946454503.db2.gz AOOPQWMSMVCYIL-ZDUSSCGKSA-N -1 3 390.423 0.720 20 0 GCADHM CCc1cnccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571310034 946459151 /nfs/dbraw/zinc/45/91/51/946459151.db2.gz SPWXFVCBGWEQIU-VIKVFOODSA-N -1 3 392.423 0.653 20 0 GCADHM CCc1cnccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571310034 946459160 /nfs/dbraw/zinc/45/91/60/946459160.db2.gz SPWXFVCBGWEQIU-VIKVFOODSA-N -1 3 392.423 0.653 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)ccn1 ZINC001571310140 946463654 /nfs/dbraw/zinc/46/36/54/946463654.db2.gz WGEJXGLRUQSQNL-QKDCVEJESA-N -1 3 392.423 0.778 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)ccn1 ZINC001571310140 946463664 /nfs/dbraw/zinc/46/36/64/946463664.db2.gz WGEJXGLRUQSQNL-QKDCVEJESA-N -1 3 392.423 0.778 20 0 GCADHM CC(=O)NCC(=O)N1CCCO[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573509592 946463990 /nfs/dbraw/zinc/46/39/90/946463990.db2.gz OJUZRSNWLKOTLT-LBPRGKRZSA-N -1 3 391.407 0.171 20 0 GCADHM CC(=O)NCC(=O)N1CCCO[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573509592 946463998 /nfs/dbraw/zinc/46/39/98/946463998.db2.gz OJUZRSNWLKOTLT-LBPRGKRZSA-N -1 3 391.407 0.171 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001573509545 946464239 /nfs/dbraw/zinc/46/42/39/946464239.db2.gz NWIWTQUMFNRHMJ-SWLSCSKDSA-N -1 3 387.419 0.569 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001573509545 946464246 /nfs/dbraw/zinc/46/42/46/946464246.db2.gz NWIWTQUMFNRHMJ-SWLSCSKDSA-N -1 3 387.419 0.569 20 0 GCADHM CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573509795 946466203 /nfs/dbraw/zinc/46/62/03/946466203.db2.gz SBOZBJLGEUEZIY-HZMBPMFUSA-N -1 3 391.407 0.170 20 0 GCADHM CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573509795 946466205 /nfs/dbraw/zinc/46/62/05/946466205.db2.gz SBOZBJLGEUEZIY-HZMBPMFUSA-N 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CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573510070 946472133 /nfs/dbraw/zinc/47/21/33/946472133.db2.gz XUONIAHOEAZZQL-RISCZKNCSA-N -1 3 386.460 0.745 20 0 GCADHM Cc1nsc(NC[C@]2(C)CCN(C(=O)[C@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571310568 946475800 /nfs/dbraw/zinc/47/58/00/946475800.db2.gz JCHJMJYVKNHSQR-PSLIRLAXSA-N -1 3 392.445 0.391 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)CC[C@@H]2C1 ZINC001573510433 946477714 /nfs/dbraw/zinc/47/77/14/946477714.db2.gz HMLGAWQZIAPEOO-NEPJUHHUSA-N -1 3 390.473 0.052 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@]2(C)CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@]2(C)C1 ZINC001573510673 946480327 /nfs/dbraw/zinc/48/03/27/946480327.db2.gz JGHGDDXGFQSVRI-HDICACEKSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@]2(C)CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@]2(C)C1 ZINC001573510673 946480330 /nfs/dbraw/zinc/48/03/30/946480330.db2.gz JGHGDDXGFQSVRI-HDICACEKSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573511117 946483545 /nfs/dbraw/zinc/48/35/45/946483545.db2.gz NAUQLHFWOMSEBM-BXKDBHETSA-N -1 3 376.396 0.043 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573511117 946483549 /nfs/dbraw/zinc/48/35/49/946483549.db2.gz NAUQLHFWOMSEBM-BXKDBHETSA-N -1 3 376.396 0.043 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573511471 946487126 /nfs/dbraw/zinc/48/71/26/946487126.db2.gz AATFRDFRRAWBCR-CQSZACIVSA-N -1 3 375.408 0.223 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573511470 946487627 /nfs/dbraw/zinc/48/76/27/946487627.db2.gz AATFRDFRRAWBCR-AWEZNQCLSA-N -1 3 375.408 0.223 20 0 GCADHM O=C(CCCC(=O)N1CCS(=O)(=O)CC1)Nc1ccccc1-c1nnn[n-]1 ZINC001571311436 946487979 /nfs/dbraw/zinc/48/79/79/946487979.db2.gz XNNKDUUTNYEYPE-UHFFFAOYSA-N -1 3 392.441 0.233 20 0 GCADHM O=C(CCCC(=O)N1CCS(=O)(=O)CC1)Nc1ccccc1-c1nn[n-]n1 ZINC001571311436 946487982 /nfs/dbraw/zinc/48/79/82/946487982.db2.gz XNNKDUUTNYEYPE-UHFFFAOYSA-N -1 3 392.441 0.233 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573511609 946489393 /nfs/dbraw/zinc/48/93/93/946489393.db2.gz BWNOVXXAVJDVAP-VXGBXAGGSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573511609 946489399 /nfs/dbraw/zinc/48/93/99/946489399.db2.gz BWNOVXXAVJDVAP-VXGBXAGGSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573511624 946489680 /nfs/dbraw/zinc/48/96/80/946489680.db2.gz BYCNBZVAZIJEMQ-DGCLKSJQSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573511624 946489689 /nfs/dbraw/zinc/48/96/89/946489689.db2.gz BYCNBZVAZIJEMQ-DGCLKSJQSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573512267 946497551 /nfs/dbraw/zinc/49/75/51/946497551.db2.gz 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20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571313084 946509740 /nfs/dbraw/zinc/50/97/40/946509740.db2.gz NGGJCVZZHFAYCM-SOUVJXGZSA-N -1 3 392.423 0.724 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571313084 946509754 /nfs/dbraw/zinc/50/97/54/946509754.db2.gz NGGJCVZZHFAYCM-SOUVJXGZSA-N -1 3 392.423 0.724 20 0 GCADHM CC(=O)NCC(=O)N[C@@]12CCC[C@H]1N(c1ncc(-c3nnn[n-]3)cc1F)CC2 ZINC001573513271 946510225 /nfs/dbraw/zinc/51/02/25/946510225.db2.gz MCWGAXNOMCPAIW-CXAGYDPISA-N -1 3 388.407 0.155 20 0 GCADHM CC(=O)NCC(=O)N[C@@]12CCC[C@H]1N(c1ncc(-c3nn[n-]n3)cc1F)CC2 ZINC001573513271 946510236 /nfs/dbraw/zinc/51/02/36/946510236.db2.gz MCWGAXNOMCPAIW-CXAGYDPISA-N -1 3 388.407 0.155 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@H]1C ZINC001573513711 946516359 /nfs/dbraw/zinc/51/63/59/946516359.db2.gz PNLZVYBTRIWITD-MEDUHNTESA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NCC(=O)N[C@@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC[C@@H]1C ZINC001573514170 946520445 /nfs/dbraw/zinc/52/04/45/946520445.db2.gz UEEYLQUECOHARB-KPZWWZAWSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@@]1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC[C@@H]1C ZINC001573514170 946520459 /nfs/dbraw/zinc/52/04/59/946520459.db2.gz UEEYLQUECOHARB-KPZWWZAWSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573514272 946523627 /nfs/dbraw/zinc/52/36/27/946523627.db2.gz WBZDQTSCPXCIPL-SKDRFNHKSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573514272 946523636 /nfs/dbraw/zinc/52/36/36/946523636.db2.gz WBZDQTSCPXCIPL-SKDRFNHKSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000823988083 946532365 /nfs/dbraw/zinc/53/23/65/946532365.db2.gz CTACHAAAVSWULG-UHFFFAOYSA-N -1 3 378.458 0.901 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000823988083 946532371 /nfs/dbraw/zinc/53/23/71/946532371.db2.gz CTACHAAAVSWULG-UHFFFAOYSA-N -1 3 378.458 0.901 20 0 GCADHM CN(C(=O)[C@H]1CCn2cncc2C1)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571313780 946533601 /nfs/dbraw/zinc/53/36/01/946533601.db2.gz WBODZDWEEYJZEE-AWEZNQCLSA-N -1 3 392.467 0.968 20 0 GCADHM CC(=O)N[C@H]1CCCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000823989433 946535823 /nfs/dbraw/zinc/53/58/23/946535823.db2.gz XYXWDERRMMKZLO-RDJZCZTQSA-N -1 3 383.456 0.963 20 0 GCADHM CC(=O)NC[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000823994748 946536241 /nfs/dbraw/zinc/53/62/41/946536241.db2.gz OSCYOOKFLNNPMG-KRWDZBQOSA-N -1 3 396.455 0.604 20 0 GCADHM CC(=O)NC[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000823994748 946536253 /nfs/dbraw/zinc/53/62/53/946536253.db2.gz OSCYOOKFLNNPMG-KRWDZBQOSA-N -1 3 396.455 0.604 20 0 GCADHM CC(=O)NCCNC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823994905 946538222 /nfs/dbraw/zinc/53/82/22/946538222.db2.gz RTWNJHJXBYSDLY-UHFFFAOYSA-N -1 3 389.807 0.963 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824046777 946566556 /nfs/dbraw/zinc/56/65/56/946566556.db2.gz UZRAZOOXZXOPTJ-NWDGAFQWSA-N -1 3 393.473 0.159 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824046777 946566563 /nfs/dbraw/zinc/56/65/63/946566563.db2.gz UZRAZOOXZXOPTJ-NWDGAFQWSA-N -1 3 393.473 0.159 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573517306 946568557 /nfs/dbraw/zinc/56/85/57/946568557.db2.gz GOLFBAPOKSMIHW-AWEZNQCLSA-N -1 3 389.435 0.613 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001573517371 946571238 /nfs/dbraw/zinc/57/12/38/946571238.db2.gz ISSLLVOYDDJTIW-GFCCVEGCSA-N -1 3 392.489 0.633 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCCCC1 ZINC001573517389 946572545 /nfs/dbraw/zinc/57/25/45/946572545.db2.gz JBAOXIBNMPEOOX-UHFFFAOYSA-N -1 3 390.423 0.768 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC001573517389 946572552 /nfs/dbraw/zinc/57/25/52/946572552.db2.gz JBAOXIBNMPEOOX-UHFFFAOYSA-N -1 3 390.423 0.768 20 0 GCADHM O=C([C@@H]1CCc2nccn2C1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571316674 946583823 /nfs/dbraw/zinc/58/38/23/946583823.db2.gz JONMXGPMHCXGGG-QGZVFWFLSA-N -1 3 392.467 0.970 20 0 GCADHM CC(=O)NCC(=O)NCC[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573520109 946591769 /nfs/dbraw/zinc/59/17/69/946591769.db2.gz DFHBSBQDJRAMAB-NSHDSACASA-N -1 3 378.462 0.100 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573521743 946611409 /nfs/dbraw/zinc/61/14/09/946611409.db2.gz DOAJABVDWFTNRC-BMFZPTHFSA-N -1 3 387.419 0.363 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573521709 946611676 /nfs/dbraw/zinc/61/16/76/946611676.db2.gz BVRJUMHNVVPCKW-CYBMUJFWSA-N -1 3 375.408 0.223 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573521709 946611683 /nfs/dbraw/zinc/61/16/83/946611683.db2.gz BVRJUMHNVVPCKW-CYBMUJFWSA-N -1 3 375.408 0.223 20 0 GCADHM CC(C)(C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001571317517 946611674 /nfs/dbraw/zinc/61/16/74/946611674.db2.gz LBUDCNHYMDNTJQ-UHFFFAOYSA-N -1 3 392.485 0.334 20 0 GCADHM CC(C)(C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001571317517 946611680 /nfs/dbraw/zinc/61/16/80/946611680.db2.gz LBUDCNHYMDNTJQ-UHFFFAOYSA-N -1 3 392.485 0.334 20 0 GCADHM Cc1nc(SCC(=O)N2[C@H](CO)CC[C@H]2CO)c(-c2nnn[n-]2)c(C)c1C ZINC001571317446 946611843 /nfs/dbraw/zinc/61/18/43/946611843.db2.gz ILISQHPTTSHRDA-STQMWFEESA-N -1 3 392.485 0.623 20 0 GCADHM Cc1nc(SCC(=O)N2[C@H](CO)CC[C@H]2CO)c(-c2nn[n-]n2)c(C)c1C ZINC001571317446 946611851 /nfs/dbraw/zinc/61/18/51/946611851.db2.gz ILISQHPTTSHRDA-STQMWFEESA-N -1 3 392.485 0.623 20 0 GCADHM CO[C@H](C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1CCOC1 ZINC001571317670 946617145 /nfs/dbraw/zinc/61/71/45/946617145.db2.gz QINHMCHHADDEAL-WFASDCNBSA-N -1 3 392.485 0.624 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1scnc1Cl ZINC001571317701 946618374 /nfs/dbraw/zinc/61/83/74/946618374.db2.gz RNJQWHVHHBUFPU-QMMMGPOBSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1scnc1Cl ZINC001571317701 946618384 /nfs/dbraw/zinc/61/83/84/946618384.db2.gz RNJQWHVHHBUFPU-QMMMGPOBSA-N -1 3 392.832 0.949 20 0 GCADHM CC(=O)NCC(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001573521951 946618892 /nfs/dbraw/zinc/61/88/92/946618892.db2.gz QCJZENRUFSLAQA-UHFFFAOYSA-N -1 3 392.423 0.534 20 0 GCADHM CC(=O)NCC(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001573521951 946618899 /nfs/dbraw/zinc/61/88/99/946618899.db2.gz QCJZENRUFSLAQA-UHFFFAOYSA-N -1 3 392.423 0.534 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ncc(Cl)s1 ZINC001571317704 946619128 /nfs/dbraw/zinc/61/91/28/946619128.db2.gz RNZQOSQSCAJSMT-MRVPVSSYSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ncc(Cl)s1 ZINC001571317704 946619132 /nfs/dbraw/zinc/61/91/32/946619132.db2.gz RNZQOSQSCAJSMT-MRVPVSSYSA-N -1 3 392.832 0.949 20 0 GCADHM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001571317750 946619372 /nfs/dbraw/zinc/61/93/72/946619372.db2.gz UEUDTUBGOURGQT-JKSUJKDBSA-N -1 3 392.485 0.191 20 0 GCADHM CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001571317750 946619377 /nfs/dbraw/zinc/61/93/77/946619377.db2.gz UEUDTUBGOURGQT-JKSUJKDBSA-N -1 3 392.485 0.191 20 0 GCADHM O=C(NC1CC(CNc2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@@H]1COC(=O)N1 ZINC001571317734 946619391 /nfs/dbraw/zinc/61/93/91/946619391.db2.gz TUVWTNFIHCQSCM-FBUXNDKQSA-N -1 3 392.807 0.330 20 0 GCADHM O=C(NC1CC(CNc2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@@H]1COC(=O)N1 ZINC001571317734 946619403 /nfs/dbraw/zinc/61/94/03/946619403.db2.gz TUVWTNFIHCQSCM-FBUXNDKQSA-N -1 3 392.807 0.330 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@@H]1CCCCO1 ZINC001571317791 946621241 /nfs/dbraw/zinc/62/12/41/946621241.db2.gz VXOLUBSUJIXUHM-OCCSQVGLSA-N -1 3 392.485 0.814 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573522157 946622356 /nfs/dbraw/zinc/62/23/56/946622356.db2.gz BLSAKBOAUIIXNJ-LLVKDONJSA-N -1 3 392.489 0.807 20 0 GCADHM CO[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1NC(=O)c1ccns1 ZINC001571317844 946624067 /nfs/dbraw/zinc/62/40/67/946624067.db2.gz XDVMPIVMOVAYJK-RKDXNWHRSA-N -1 3 392.470 0.722 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573522331 946624793 /nfs/dbraw/zinc/62/47/93/946624793.db2.gz CVQTYJUCVWMCHI-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573522331 946624801 /nfs/dbraw/zinc/62/48/01/946624801.db2.gz CVQTYJUCVWMCHI-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573522610 946627999 /nfs/dbraw/zinc/62/79/99/946627999.db2.gz HGXLINQITNSMLS-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573522610 946628007 /nfs/dbraw/zinc/62/80/07/946628007.db2.gz HGXLINQITNSMLS-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)ccc1-c1nnn[n-]1)C2 ZINC001573522776 946629493 /nfs/dbraw/zinc/62/94/93/946629493.db2.gz KKNROSXZQUPSCP-UGSOOPFHSA-N -1 3 384.444 0.181 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(c1nc(C)ccc1-c1nn[n-]n1)C2 ZINC001573522776 946629495 /nfs/dbraw/zinc/62/94/95/946629495.db2.gz KKNROSXZQUPSCP-UGSOOPFHSA-N -1 3 384.444 0.181 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573523086 946632236 /nfs/dbraw/zinc/63/22/36/946632236.db2.gz NUBMJFBMIYIWBG-UHFFFAOYSA-N -1 3 377.474 0.391 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573523376 946634852 /nfs/dbraw/zinc/63/48/52/946634852.db2.gz QIIMYJAUJIXCTA-LBPRGKRZSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573523376 946634854 /nfs/dbraw/zinc/63/48/54/946634854.db2.gz QIIMYJAUJIXCTA-LBPRGKRZSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573523256 946634914 /nfs/dbraw/zinc/63/49/14/946634914.db2.gz QCJLHJQLCRSXCI-SNVBAGLBSA-N -1 3 392.439 0.870 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573523256 946634917 /nfs/dbraw/zinc/63/49/17/946634917.db2.gz QCJLHJQLCRSXCI-SNVBAGLBSA-N -1 3 392.439 0.870 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573523175 946635264 /nfs/dbraw/zinc/63/52/64/946635264.db2.gz PKNIOHLEVNDOEG-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573523175 946635269 /nfs/dbraw/zinc/63/52/69/946635269.db2.gz PKNIOHLEVNDOEG-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)COC(=O)COC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000824266596 946638847 /nfs/dbraw/zinc/63/88/47/946638847.db2.gz NQRZDOBLLRIKGM-UHFFFAOYSA-N -1 3 385.384 0.991 20 0 GCADHM CC(C)COC(=O)COC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000824266596 946638856 /nfs/dbraw/zinc/63/88/56/946638856.db2.gz NQRZDOBLLRIKGM-UHFFFAOYSA-N -1 3 385.384 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573523925 946640486 /nfs/dbraw/zinc/64/04/86/946640486.db2.gz YEBBVAGZSNLVIY-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573523925 946640491 /nfs/dbraw/zinc/64/04/91/946640491.db2.gz YEBBVAGZSNLVIY-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573524101 946641878 /nfs/dbraw/zinc/64/18/78/946641878.db2.gz ZOOTWTFAQVDVMG-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573524101 946641883 /nfs/dbraw/zinc/64/18/83/946641883.db2.gz ZOOTWTFAQVDVMG-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(c3nc4ccccn4c3-c3nnn[n-]3)C2)C1=O ZINC000824296361 946646200 /nfs/dbraw/zinc/64/62/00/946646200.db2.gz GOKWHMLGHWMJFJ-KRWDZBQOSA-N -1 3 381.400 0.424 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(c3nc4ccccn4c3-c3nn[n-]n3)C2)C1=O ZINC000824296361 946646207 /nfs/dbraw/zinc/64/62/07/946646207.db2.gz GOKWHMLGHWMJFJ-KRWDZBQOSA-N -1 3 381.400 0.424 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573527810 946647719 /nfs/dbraw/zinc/64/77/19/946647719.db2.gz IKOOZHFLUZVVPB-SNVBAGLBSA-N -1 3 392.439 0.870 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573527810 946647727 /nfs/dbraw/zinc/64/77/27/946647727.db2.gz IKOOZHFLUZVVPB-SNVBAGLBSA-N -1 3 392.439 0.870 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573527844 946648788 /nfs/dbraw/zinc/64/87/88/946648788.db2.gz JLEDFIRMWKLTFI-XBXGTLAGSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573527844 946648793 /nfs/dbraw/zinc/64/87/93/946648793.db2.gz JLEDFIRMWKLTFI-XBXGTLAGSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573527937 946650646 /nfs/dbraw/zinc/65/06/46/946650646.db2.gz MDQURAQUMMHJDY-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573527937 946650651 /nfs/dbraw/zinc/65/06/51/946650651.db2.gz MDQURAQUMMHJDY-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573527962 946653129 /nfs/dbraw/zinc/65/31/29/946653129.db2.gz NJMZTMYWTBDLAH-UHFFFAOYSA-N -1 3 391.451 0.716 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573527962 946653134 /nfs/dbraw/zinc/65/31/34/946653134.db2.gz NJMZTMYWTBDLAH-UHFFFAOYSA-N -1 3 391.451 0.716 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573528230 946658891 /nfs/dbraw/zinc/65/88/91/946658891.db2.gz ZGUOGLCMZQJAAM-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573528230 946658895 /nfs/dbraw/zinc/65/88/95/946658895.db2.gz ZGUOGLCMZQJAAM-CQSZACIVSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)Oc1ccc(NC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nnn[n-]1 ZINC000824324101 946660055 /nfs/dbraw/zinc/66/00/55/946660055.db2.gz GQFHXWLNNFNAPI-BMIGLBTASA-N -1 3 388.428 0.868 20 0 GCADHM CC(C)Oc1ccc(NC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nn[n-]n1 ZINC000824324101 946660060 /nfs/dbraw/zinc/66/00/60/946660060.db2.gz GQFHXWLNNFNAPI-BMIGLBTASA-N -1 3 388.428 0.868 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(c1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573528240 946660264 /nfs/dbraw/zinc/66/02/64/946660264.db2.gz ZSPFNMOHZOIQJJ-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(c1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573528240 946660269 /nfs/dbraw/zinc/66/02/69/946660269.db2.gz ZSPFNMOHZOIQJJ-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)Oc1ccc(NC(=O)NCC(=O)N2CCOCC2)cc1-c1nnn[n-]1 ZINC000824329404 946661661 /nfs/dbraw/zinc/66/16/61/946661661.db2.gz OTODHYBWFCWGJX-UHFFFAOYSA-N -1 3 389.416 0.634 20 0 GCADHM CC(C)Oc1ccc(NC(=O)NCC(=O)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000824329404 946661667 /nfs/dbraw/zinc/66/16/67/946661667.db2.gz OTODHYBWFCWGJX-UHFFFAOYSA-N -1 3 389.416 0.634 20 0 GCADHM CC(=O)NCCCCCN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC001573530390 946694141 /nfs/dbraw/zinc/69/41/41/946694141.db2.gz YRVJAKSRMFEZAJ-GOSISDBHSA-N -1 3 385.428 0.940 20 0 GCADHM CC(=O)NCCCCCN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC001573530390 946694144 /nfs/dbraw/zinc/69/41/44/946694144.db2.gz YRVJAKSRMFEZAJ-GOSISDBHSA-N -1 3 385.428 0.940 20 0 GCADHM CC(=O)NC[C@H]1CN(c2cc(Br)ccc2-c2nnn[n-]2)CCO1 ZINC001573530350 946695419 /nfs/dbraw/zinc/69/54/19/946695419.db2.gz XXMJTDNLVFOECI-NSHDSACASA-N -1 3 381.234 0.971 20 0 GCADHM CC(=O)NC[C@H]1CN(c2cc(Br)ccc2-c2nn[n-]n2)CCO1 ZINC001573530350 946695425 /nfs/dbraw/zinc/69/54/25/946695425.db2.gz XXMJTDNLVFOECI-NSHDSACASA-N -1 3 381.234 0.971 20 0 GCADHM C[C@@H](C[S@@](C)=O)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824449016 946711445 /nfs/dbraw/zinc/71/14/45/946711445.db2.gz MHGLGIAONZPZQX-YBOJIHHZSA-N -1 3 392.489 0.297 20 0 GCADHM C[C@@H](C[S@@](C)=O)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824449016 946711455 /nfs/dbraw/zinc/71/14/55/946711455.db2.gz MHGLGIAONZPZQX-YBOJIHHZSA-N -1 3 392.489 0.297 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1)C(C)C ZINC001573535331 946723045 /nfs/dbraw/zinc/72/30/45/946723045.db2.gz CHWLQYMUYQTLJS-DGCLKSJQSA-N -1 3 392.489 0.487 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)C(C)C)C(C)C ZINC001573535989 946726859 /nfs/dbraw/zinc/72/68/59/946726859.db2.gz MZVJCTOVKOFLES-HUUCEWRRSA-N -1 3 388.476 0.975 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)C(C)C)C(C)C ZINC001573535989 946726867 /nfs/dbraw/zinc/72/68/67/946726867.db2.gz MZVJCTOVKOFLES-HUUCEWRRSA-N -1 3 388.476 0.975 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2n1CCC2 ZINC000824478875 946728789 /nfs/dbraw/zinc/72/87/89/946728789.db2.gz JMBJSRPJSXXFHV-JTQLQIEISA-N -1 3 381.400 0.012 20 0 GCADHM C[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2n1CCC2 ZINC000824478875 946728793 /nfs/dbraw/zinc/72/87/93/946728793.db2.gz JMBJSRPJSXXFHV-JTQLQIEISA-N -1 3 381.400 0.012 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001573536007 946729691 /nfs/dbraw/zinc/72/96/91/946729691.db2.gz NUUQQTZJQBGKTM-IUODEOHRSA-N -1 3 391.501 0.779 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001573536007 946729700 /nfs/dbraw/zinc/72/97/00/946729700.db2.gz NUUQQTZJQBGKTM-IUODEOHRSA-N -1 3 391.501 0.779 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C)C(C)C ZINC001573536013 946730790 /nfs/dbraw/zinc/73/07/90/946730790.db2.gz NXTRHUJYROTMIT-DJSGYFEHSA-N -1 3 386.460 0.363 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C)C(C)C ZINC001573536013 946730808 /nfs/dbraw/zinc/73/08/08/946730808.db2.gz NXTRHUJYROTMIT-DJSGYFEHSA-N -1 3 386.460 0.363 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536097 946730913 /nfs/dbraw/zinc/73/09/13/946730913.db2.gz OWQSBKKPBUVOGW-NOZJJQNGSA-N -1 3 378.412 0.478 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536097 946730916 /nfs/dbraw/zinc/73/09/16/946730916.db2.gz OWQSBKKPBUVOGW-NOZJJQNGSA-N -1 3 378.412 0.478 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C(C)C ZINC001573536192 946733589 /nfs/dbraw/zinc/73/35/89/946733589.db2.gz RTDSJKYDWBZLEV-MRXNPFEDSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C(C)C ZINC001573536192 946733599 /nfs/dbraw/zinc/73/35/99/946733599.db2.gz RTDSJKYDWBZLEV-MRXNPFEDSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573536821 946742661 /nfs/dbraw/zinc/74/26/61/946742661.db2.gz FLCBXFBAAMHJPY-GDBMZVCRSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573536821 946742662 /nfs/dbraw/zinc/74/26/62/946742662.db2.gz FLCBXFBAAMHJPY-GDBMZVCRSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)C(C)C ZINC001573537052 946743055 /nfs/dbraw/zinc/74/30/55/946743055.db2.gz FWRYEKLNJNGEEE-TZMCWYRMSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)C(C)C ZINC001573537052 946743066 /nfs/dbraw/zinc/74/30/66/946743066.db2.gz FWRYEKLNJNGEEE-TZMCWYRMSA-N -1 3 390.423 0.574 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573537336 946744987 /nfs/dbraw/zinc/74/49/87/946744987.db2.gz KIDQUTSBKOHPTM-UKRRQHHQSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573537336 946744998 /nfs/dbraw/zinc/74/49/98/946744998.db2.gz KIDQUTSBKOHPTM-UKRRQHHQSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573537721 946758390 /nfs/dbraw/zinc/75/83/90/946758390.db2.gz RGMGFLIFXLZFNC-GDBMZVCRSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573537721 946758399 /nfs/dbraw/zinc/75/83/99/946758399.db2.gz RGMGFLIFXLZFNC-GDBMZVCRSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573538039 946762540 /nfs/dbraw/zinc/76/25/40/946762540.db2.gz ULXYQFGVFNZYIA-DZGCQCFKSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573538039 946762552 /nfs/dbraw/zinc/76/25/52/946762552.db2.gz ULXYQFGVFNZYIA-DZGCQCFKSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573538040 946762869 /nfs/dbraw/zinc/76/28/69/946762869.db2.gz ULXYQFGVFNZYIA-UKRRQHHQSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573538040 946762876 /nfs/dbraw/zinc/76/28/76/946762876.db2.gz ULXYQFGVFNZYIA-UKRRQHHQSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573538064 946763919 /nfs/dbraw/zinc/76/39/19/946763919.db2.gz VMCSHLYLEUGYFM-XJKSGUPXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573538064 946763926 /nfs/dbraw/zinc/76/39/26/946763926.db2.gz VMCSHLYLEUGYFM-XJKSGUPXSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573538224 946766205 /nfs/dbraw/zinc/76/62/05/946766205.db2.gz QAMYYRZKUCBZDP-CJNGLKHVSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573538224 946766213 /nfs/dbraw/zinc/76/62/13/946766213.db2.gz QAMYYRZKUCBZDP-CJNGLKHVSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573538275 946768303 /nfs/dbraw/zinc/76/83/03/946768303.db2.gz RXUOHIXAIUJIHM-CABCVRRESA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573538275 946768318 /nfs/dbraw/zinc/76/83/18/946768318.db2.gz RXUOHIXAIUJIHM-CABCVRRESA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)C(C)C ZINC001573538591 946771736 /nfs/dbraw/zinc/77/17/36/946771736.db2.gz YBYQGOOPTSMLDI-QGZVFWFLSA-N -1 3 385.472 0.672 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573540459 946777965 /nfs/dbraw/zinc/77/79/65/946777965.db2.gz FFPCHZYENOIPEL-IUODEOHRSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573540459 946777972 /nfs/dbraw/zinc/77/79/72/946777972.db2.gz FFPCHZYENOIPEL-IUODEOHRSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573541206 946783218 /nfs/dbraw/zinc/78/32/18/946783218.db2.gz ONROHQXQUKOKAD-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573541206 946783225 /nfs/dbraw/zinc/78/32/25/946783225.db2.gz ONROHQXQUKOKAD-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)(C)C ZINC001573541669 946787303 /nfs/dbraw/zinc/78/73/03/946787303.db2.gz VRSKNIAMMLTZNU-VNHYZAJKSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)(C)C ZINC001573541669 946787310 /nfs/dbraw/zinc/78/73/10/946787310.db2.gz VRSKNIAMMLTZNU-VNHYZAJKSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573541574 946788244 /nfs/dbraw/zinc/78/82/44/946788244.db2.gz RTCWWADYZXJWNT-IUODEOHRSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573541574 946788248 /nfs/dbraw/zinc/78/82/48/946788248.db2.gz RTCWWADYZXJWNT-IUODEOHRSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)(C)C ZINC001573541947 946793410 /nfs/dbraw/zinc/79/34/10/946793410.db2.gz ZERDGFOOWQXUMZ-CQSZACIVSA-N -1 3 391.501 0.779 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC001573542745 946800259 /nfs/dbraw/zinc/80/02/59/946800259.db2.gz OMNKMLWWQVDIEZ-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cc(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001573542745 946800271 /nfs/dbraw/zinc/80/02/71/946800271.db2.gz OMNKMLWWQVDIEZ-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573543494 946808140 /nfs/dbraw/zinc/80/81/40/946808140.db2.gz ZSQJWMBTDDHEEA-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573543494 946808155 /nfs/dbraw/zinc/80/81/55/946808155.db2.gz ZSQJWMBTDDHEEA-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)Nc1cc(C(=O)NCCNc2ccc(-c3nnn[n-]3)c(C)n2)ccn1 ZINC001573543496 946809933 /nfs/dbraw/zinc/80/99/33/946809933.db2.gz ZVPSZZSCTLOCBQ-UHFFFAOYSA-N -1 3 381.400 0.765 20 0 GCADHM CC(=O)Nc1cc(C(=O)NCCNc2ccc(-c3nn[n-]n3)c(C)n2)ccn1 ZINC001573543496 946809945 /nfs/dbraw/zinc/80/99/45/946809945.db2.gz ZVPSZZSCTLOCBQ-UHFFFAOYSA-N -1 3 381.400 0.765 20 0 GCADHM CC(=O)Nc1ccc(F)c(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)c1 ZINC001573546591 946812047 /nfs/dbraw/zinc/81/20/47/946812047.db2.gz GUOBNJLICSYSAW-UHFFFAOYSA-N -1 3 386.347 0.943 20 0 GCADHM CC(=O)Nc1ccc(F)c(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)c1 ZINC001573546591 946812057 /nfs/dbraw/zinc/81/20/57/946812057.db2.gz GUOBNJLICSYSAW-UHFFFAOYSA-N -1 3 386.347 0.943 20 0 GCADHM CC(=O)Nc1ccc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)c(F)c1 ZINC001573546595 946813103 /nfs/dbraw/zinc/81/31/03/946813103.db2.gz GZSWSVJYFZKSCG-UHFFFAOYSA-N -1 3 391.388 0.838 20 0 GCADHM CC(=O)Nc1ccc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)c(F)c1 ZINC001573546595 946813111 /nfs/dbraw/zinc/81/31/11/946813111.db2.gz GZSWSVJYFZKSCG-UHFFFAOYSA-N -1 3 391.388 0.838 20 0 GCADHM CC(=O)Nc1ccc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)cc1F ZINC001573546973 946822838 /nfs/dbraw/zinc/82/28/38/946822838.db2.gz SOTRUKAPZKTNOX-UHFFFAOYSA-N -1 3 391.388 0.838 20 0 GCADHM CC(=O)Nc1ccc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)cc1F ZINC001573546973 946822850 /nfs/dbraw/zinc/82/28/50/946822850.db2.gz SOTRUKAPZKTNOX-UHFFFAOYSA-N -1 3 391.388 0.838 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001573546981 946824120 /nfs/dbraw/zinc/82/41/20/946824120.db2.gz DLDLBNGBQFANCW-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001573546981 946824124 /nfs/dbraw/zinc/82/41/24/946824124.db2.gz DLDLBNGBQFANCW-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@H](C)CN=c2cc[nH]cc2-c2nn[n-]n2)cs1 ZINC001573548118 946847291 /nfs/dbraw/zinc/84/72/91/946847291.db2.gz DDCOFVVZQQWAMB-MRVPVSSYSA-N -1 3 387.429 0.329 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@H](C)CN=c2cc[nH]cc2-c2nnn[n-]2)cs1 ZINC001573548118 946847301 /nfs/dbraw/zinc/84/73/01/946847301.db2.gz DDCOFVVZQQWAMB-MRVPVSSYSA-N -1 3 387.429 0.329 20 0 GCADHM CC(=O)Nc1ncc(S(=O)(=O)NCc2ccnc(-c3nnn[n-]3)c2)s1 ZINC001573548314 946849926 /nfs/dbraw/zinc/84/99/26/946849926.db2.gz IMQSSTCRRYUJDK-UHFFFAOYSA-N -1 3 380.415 0.155 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573548532 946853002 /nfs/dbraw/zinc/85/30/02/946853002.db2.gz MXRMLUCLZMGAEV-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573548532 946853011 /nfs/dbraw/zinc/85/30/11/946853011.db2.gz MXRMLUCLZMGAEV-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1nc(C(=O)N2CC(=O)Nc3ccc(-c4nnn[n-]4)cc32)cs1 ZINC001573548461 946854075 /nfs/dbraw/zinc/85/40/75/946854075.db2.gz LOWAACDTHWDPFL-UHFFFAOYSA-N -1 3 384.381 0.881 20 0 GCADHM CC(=O)Nc1nc(C(=O)N2CC(=O)Nc3ccc(-c4nn[n-]n4)cc32)cs1 ZINC001573548461 946854079 /nfs/dbraw/zinc/85/40/79/946854079.db2.gz LOWAACDTHWDPFL-UHFFFAOYSA-N -1 3 384.381 0.881 20 0 GCADHM CC(=O)Nc1nc(CNCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cs1 ZINC001573548728 946856862 /nfs/dbraw/zinc/85/68/62/946856862.db2.gz RUHGMCRIKNWBND-UHFFFAOYSA-N -1 3 389.445 0.472 20 0 GCADHM CC(=O)Nc1nc(CNCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cs1 ZINC001573548728 946856872 /nfs/dbraw/zinc/85/68/72/946856872.db2.gz RUHGMCRIKNWBND-UHFFFAOYSA-N -1 3 389.445 0.472 20 0 GCADHM CC(=O)OCC(C)(C)CC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001573551196 946867960 /nfs/dbraw/zinc/86/79/60/946867960.db2.gz HLAMHWANLBIWIU-UHFFFAOYSA-N -1 3 387.444 0.890 20 0 GCADHM CC(=O)OCC(C)(C)CC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001573551196 946867970 /nfs/dbraw/zinc/86/79/70/946867970.db2.gz HLAMHWANLBIWIU-UHFFFAOYSA-N -1 3 387.444 0.890 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)CN1CCCCS1(=O)=O ZINC001573552471 946877263 /nfs/dbraw/zinc/87/72/63/946877263.db2.gz PMGNFZPYVXXLSN-UHFFFAOYSA-N -1 3 378.414 0.433 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)CN1CCCCS1(=O)=O ZINC001573552471 946877269 /nfs/dbraw/zinc/87/72/69/946877269.db2.gz PMGNFZPYVXXLSN-UHFFFAOYSA-N -1 3 378.414 0.433 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 ZINC001573552590 946878587 /nfs/dbraw/zinc/87/85/87/946878587.db2.gz RTFFPHXDRUDVJO-OAHLLOKOSA-N -1 3 380.368 0.935 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@H]1CC(c2cnn(C)c2)=NO1 ZINC001573552590 946878600 /nfs/dbraw/zinc/87/86/00/946878600.db2.gz RTFFPHXDRUDVJO-OAHLLOKOSA-N -1 3 380.368 0.935 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001573552786 946880744 /nfs/dbraw/zinc/88/07/44/946880744.db2.gz BHRRTIBJIQWKHY-NSHDSACASA-N -1 3 382.384 0.950 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001573552786 946880754 /nfs/dbraw/zinc/88/07/54/946880754.db2.gz BHRRTIBJIQWKHY-NSHDSACASA-N -1 3 382.384 0.950 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCOCC1 ZINC000824640280 946881168 /nfs/dbraw/zinc/88/11/68/946881168.db2.gz FNQZOALUHOVQAO-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCOCC1 ZINC000824640280 946881177 /nfs/dbraw/zinc/88/11/77/946881177.db2.gz FNQZOALUHOVQAO-AAEUAGOBSA-N -1 3 394.457 0.219 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)O)cc1-c1nnn[n-]1 ZINC000824690024 946899420 /nfs/dbraw/zinc/89/94/20/946899420.db2.gz PGHXHECHQXLEIU-QWRGUYRKSA-N -1 3 376.417 0.868 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)O)cc1-c1nn[n-]n1 ZINC000824690024 946899432 /nfs/dbraw/zinc/89/94/32/946899432.db2.gz PGHXHECHQXLEIU-QWRGUYRKSA-N -1 3 376.417 0.868 20 0 GCADHM C[C@H](O)CNC(=O)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824705750 946904355 /nfs/dbraw/zinc/90/43/55/946904355.db2.gz CZRJYHWAMHSADX-QMMMGPOBSA-N -1 3 390.791 0.141 20 0 GCADHM C[C@H](O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824707557 946908066 /nfs/dbraw/zinc/90/80/66/946908066.db2.gz SQVAABHKVGCBML-QMMMGPOBSA-N -1 3 390.791 0.141 20 0 GCADHM C[C@H](O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824707557 946908072 /nfs/dbraw/zinc/90/80/72/946908072.db2.gz SQVAABHKVGCBML-QMMMGPOBSA-N -1 3 390.791 0.141 20 0 GCADHM CC(=O)c1cccc(-c2nnn[n-]2)c1OCC(=O)NC(=O)NCC(F)(F)F ZINC001573556109 946921175 /nfs/dbraw/zinc/92/11/75/946921175.db2.gz WHCFRSGAZNQVOF-UHFFFAOYSA-N -1 3 386.290 0.836 20 0 GCADHM CC(=O)c1cccc(-c2nn[n-]n2)c1OCC(=O)NC(=O)NCC(F)(F)F ZINC001573556109 946921194 /nfs/dbraw/zinc/92/11/94/946921194.db2.gz WHCFRSGAZNQVOF-UHFFFAOYSA-N -1 3 386.290 0.836 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)NCc3ccc(C)c(-c4nnn[n-]4)c3)C2)nn1 ZINC001573558287 946937825 /nfs/dbraw/zinc/93/78/25/946937825.db2.gz IQTRAXYQYFHBII-UHFFFAOYSA-N -1 3 381.400 0.736 20 0 GCADHM CC(=O)c1cn(C2CN(C(=O)NCc3ccc(C)c(-c4nn[n-]n4)c3)C2)nn1 ZINC001573558287 946937832 /nfs/dbraw/zinc/93/78/32/946937832.db2.gz IQTRAXYQYFHBII-UHFFFAOYSA-N -1 3 381.400 0.736 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)O1 ZINC000824816274 946938626 /nfs/dbraw/zinc/93/86/26/946938626.db2.gz ACVYNYVSARRJNK-CYBMUJFWSA-N -1 3 387.444 0.850 20 0 GCADHM CC1(C)OC[C@@H](CNC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)O1 ZINC000824816274 946938637 /nfs/dbraw/zinc/93/86/37/946938637.db2.gz ACVYNYVSARRJNK-CYBMUJFWSA-N -1 3 387.444 0.850 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1nc2ccccn2c1-c1nnn[n-]1 ZINC000824991865 947031124 /nfs/dbraw/zinc/03/11/24/947031124.db2.gz HRSROKFFWGYJSI-MNOVXSKESA-N -1 3 376.446 0.596 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1nc2ccccn2c1-c1nn[n-]n1 ZINC000824991865 947031134 /nfs/dbraw/zinc/03/11/34/947031134.db2.gz HRSROKFFWGYJSI-MNOVXSKESA-N -1 3 376.446 0.596 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825066209 947062761 /nfs/dbraw/zinc/06/27/61/947062761.db2.gz ADEQRNYNGDYFNF-QWRGUYRKSA-N -1 3 375.433 0.978 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825066209 947062769 /nfs/dbraw/zinc/06/27/69/947062769.db2.gz ADEQRNYNGDYFNF-QWRGUYRKSA-N -1 3 375.433 0.978 20 0 GCADHM CCNC(=O)NC(=O)[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825471325 947197201 /nfs/dbraw/zinc/19/72/01/947197201.db2.gz RWQPJCNZCVQCKA-JTQLQIEISA-N -1 3 377.405 0.538 20 0 GCADHM CCNC(=O)NC(=O)[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825471325 947197202 /nfs/dbraw/zinc/19/72/02/947197202.db2.gz RWQPJCNZCVQCKA-JTQLQIEISA-N -1 3 377.405 0.538 20 0 GCADHM CCNC(=O)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825471138 947197586 /nfs/dbraw/zinc/19/75/86/947197586.db2.gz NVEAQTLZJGADNK-UHFFFAOYSA-N -1 3 389.807 0.963 20 0 GCADHM CCNC(=O)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000825471138 947197596 /nfs/dbraw/zinc/19/75/96/947197596.db2.gz NVEAQTLZJGADNK-UHFFFAOYSA-N -1 3 389.807 0.963 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825494309 947205348 /nfs/dbraw/zinc/20/53/48/947205348.db2.gz VWOQDFVPSIOSKX-GXTWGEPZSA-N -1 3 377.401 0.310 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825494309 947205358 /nfs/dbraw/zinc/20/53/58/947205358.db2.gz VWOQDFVPSIOSKX-GXTWGEPZSA-N -1 3 377.401 0.310 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)NCc2sccc2C)c1-c1nnn[n-]1 ZINC000825565767 947228096 /nfs/dbraw/zinc/22/80/96/947228096.db2.gz YIHNNGSIOWACRO-UHFFFAOYSA-N -1 3 375.414 0.926 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H](C)c1cncnc1 ZINC001573585157 947245840 /nfs/dbraw/zinc/24/58/40/947245840.db2.gz CUDVEBUNCIXTOC-QWRGUYRKSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H](C)c1cncnc1 ZINC001573585157 947245850 /nfs/dbraw/zinc/24/58/50/947245850.db2.gz CUDVEBUNCIXTOC-QWRGUYRKSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cncnc1 ZINC001573585159 947246040 /nfs/dbraw/zinc/24/60/40/947246040.db2.gz CUDVEBUNCIXTOC-WDEREUQCSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cncnc1 ZINC001573585159 947246051 /nfs/dbraw/zinc/24/60/51/947246051.db2.gz CUDVEBUNCIXTOC-WDEREUQCSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H](C)c1cccnc1 ZINC001573585567 947259332 /nfs/dbraw/zinc/25/93/32/947259332.db2.gz GSMXEZBAMUCYPC-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H](C)c1cccnc1 ZINC001573585567 947259340 /nfs/dbraw/zinc/25/93/40/947259340.db2.gz GSMXEZBAMUCYPC-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C=C/C(C)=C\CC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573316023 947262803 /nfs/dbraw/zinc/26/28/03/947262803.db2.gz FJSYZCIXUHBSHJ-QCDXTXTGSA-N -1 3 385.428 0.410 20 0 GCADHM C=C/C(C)=C\CC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573316023 947262817 /nfs/dbraw/zinc/26/28/17/947262817.db2.gz FJSYZCIXUHBSHJ-QCDXTXTGSA-N -1 3 385.428 0.410 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)n1cncn1 ZINC001573586328 947285738 /nfs/dbraw/zinc/28/57/38/947285738.db2.gz OFQAEXOZFCXBDY-RISCZKNCSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)n1cncn1 ZINC001573586328 947285750 /nfs/dbraw/zinc/28/57/50/947285750.db2.gz OFQAEXOZFCXBDY-RISCZKNCSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC001573591744 947318935 /nfs/dbraw/zinc/31/89/35/947318935.db2.gz FBHZOQMHUSETSP-ONGXEEELSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC001573591744 947318952 /nfs/dbraw/zinc/31/89/52/947318952.db2.gz FBHZOQMHUSETSP-ONGXEEELSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)n1cncn1 ZINC001573591851 947321876 /nfs/dbraw/zinc/32/18/76/947321876.db2.gz GSTAFVXREZQITK-NSHDSACASA-N -1 3 385.407 0.501 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)n1cncn1 ZINC001573591851 947321890 /nfs/dbraw/zinc/32/18/90/947321890.db2.gz GSTAFVXREZQITK-NSHDSACASA-N -1 3 385.407 0.501 20 0 GCADHM CCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(-c2nnn[n-]2)c1CC ZINC000825767018 947324284 /nfs/dbraw/zinc/32/42/84/947324284.db2.gz GDCRLIKLNRUUCT-JTQLQIEISA-N -1 3 380.478 0.252 20 0 GCADHM CCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(-c2nn[n-]n2)c1CC ZINC000825767018 947324300 /nfs/dbraw/zinc/32/43/00/947324300.db2.gz GDCRLIKLNRUUCT-JTQLQIEISA-N -1 3 380.478 0.252 20 0 GCADHM CCc1nnc(N2CCC([C@H](O)C(=O)OC)CC2)c(-c2nnn[n-]2)c1CC ZINC000825767250 947325302 /nfs/dbraw/zinc/32/53/02/947325302.db2.gz IAKQAMKBQOJNAI-AWEZNQCLSA-N -1 3 375.433 0.532 20 0 GCADHM CCc1nnc(N2CCC([C@H](O)C(=O)OC)CC2)c(-c2nn[n-]n2)c1CC ZINC000825767250 947325315 /nfs/dbraw/zinc/32/53/15/947325315.db2.gz IAKQAMKBQOJNAI-AWEZNQCLSA-N -1 3 375.433 0.532 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573592321 947331820 /nfs/dbraw/zinc/33/18/20/947331820.db2.gz JDNNEPXFIKNSOU-WBMJQRKESA-N -1 3 383.456 0.424 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573592321 947331832 /nfs/dbraw/zinc/33/18/32/947331832.db2.gz JDNNEPXFIKNSOU-WBMJQRKESA-N -1 3 383.456 0.424 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573592514 947340107 /nfs/dbraw/zinc/34/01/07/947340107.db2.gz DDJRKYQOISBNNZ-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573592514 947340120 /nfs/dbraw/zinc/34/01/20/947340120.db2.gz DDJRKYQOISBNNZ-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM CN(C)C(=O)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825845880 947344223 /nfs/dbraw/zinc/34/42/23/947344223.db2.gz NMENVHRMYJQLRX-INIZCTEOSA-N -1 3 380.408 0.918 20 0 GCADHM CN(C)C(=O)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825845880 947344239 /nfs/dbraw/zinc/34/42/39/947344239.db2.gz NMENVHRMYJQLRX-INIZCTEOSA-N -1 3 380.408 0.918 20 0 GCADHM CN(C)C(=O)N1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000825845420 947344952 /nfs/dbraw/zinc/34/49/52/947344952.db2.gz IMGWRNMGCAZNCR-INIZCTEOSA-N -1 3 398.471 0.661 20 0 GCADHM CN(C)C(=O)N1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000825845420 947344956 /nfs/dbraw/zinc/34/49/56/947344956.db2.gz IMGWRNMGCAZNCR-INIZCTEOSA-N -1 3 398.471 0.661 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)n(C)c1 ZINC000825875782 947355038 /nfs/dbraw/zinc/35/50/38/947355038.db2.gz XWHAQXYCYDHLQT-UHFFFAOYSA-N -1 3 390.425 0.813 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)n(C)c1 ZINC000825875782 947355050 /nfs/dbraw/zinc/35/50/50/947355050.db2.gz XWHAQXYCYDHLQT-UHFFFAOYSA-N -1 3 390.425 0.813 20 0 GCADHM CN(C)c1nccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000825888099 947357249 /nfs/dbraw/zinc/35/72/49/947357249.db2.gz NNQHEYLZQVKNBG-UHFFFAOYSA-N -1 3 378.393 0.340 20 0 GCADHM CN(C)c1nccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000825887124 947358229 /nfs/dbraw/zinc/35/82/29/947358229.db2.gz DJDHIDLAYIPPSE-UHFFFAOYSA-N -1 3 385.363 0.117 20 0 GCADHM CN(C)c1nccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000825887124 947358239 /nfs/dbraw/zinc/35/82/39/947358239.db2.gz DJDHIDLAYIPPSE-UHFFFAOYSA-N -1 3 385.363 0.117 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573593428 947369744 /nfs/dbraw/zinc/36/97/44/947369744.db2.gz SXXAPSWVQWEGKQ-ZYHUDNBSSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573593428 947369757 /nfs/dbraw/zinc/36/97/57/947369757.db2.gz SXXAPSWVQWEGKQ-ZYHUDNBSSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573594095 947385240 /nfs/dbraw/zinc/38/52/40/947385240.db2.gz XIEWGBWYIUQHMZ-WCQYABFASA-N -1 3 391.476 0.768 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573594095 947385252 /nfs/dbraw/zinc/38/52/52/947385252.db2.gz XIEWGBWYIUQHMZ-WCQYABFASA-N -1 3 391.476 0.768 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573594059 947386452 /nfs/dbraw/zinc/38/64/52/947386452.db2.gz WZCIRHZFGGHSHE-GXTWGEPZSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573594202 947388074 /nfs/dbraw/zinc/38/80/74/947388074.db2.gz OOMQWJMGMKLMEM-WHXUTIOJSA-N -1 3 379.446 0.096 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573594202 947388088 /nfs/dbraw/zinc/38/80/88/947388088.db2.gz OOMQWJMGMKLMEM-WHXUTIOJSA-N -1 3 379.446 0.096 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573594216 947388837 /nfs/dbraw/zinc/38/88/37/947388837.db2.gz OYVUWPDMXHPCKN-IUODEOHRSA-N -1 3 392.485 0.333 20 0 GCADHM CN(Cc1ncc(Cl)n1C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000825991869 947398075 /nfs/dbraw/zinc/39/80/75/947398075.db2.gz KHKADRSCWVETHA-UHFFFAOYSA-N -1 3 392.782 0.990 20 0 GCADHM CN(Cc1ncc(Cl)n1C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000825991869 947398083 /nfs/dbraw/zinc/39/80/83/947398083.db2.gz KHKADRSCWVETHA-UHFFFAOYSA-N -1 3 392.782 0.990 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)c1cccnc1 ZINC001573594660 947404349 /nfs/dbraw/zinc/40/43/49/947404349.db2.gz CADQVBIRVQSHEQ-IUODEOHRSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)c1cccnc1 ZINC001573594660 947404354 /nfs/dbraw/zinc/40/43/54/947404354.db2.gz CADQVBIRVQSHEQ-IUODEOHRSA-N -1 3 382.428 0.692 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573595007 947412834 /nfs/dbraw/zinc/41/28/34/947412834.db2.gz WJNMGNKIZGRAOB-OLZOCXBDSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573595007 947412844 /nfs/dbraw/zinc/41/28/44/947412844.db2.gz WJNMGNKIZGRAOB-OLZOCXBDSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573595009 947413146 /nfs/dbraw/zinc/41/31/46/947413146.db2.gz WJNMGNKIZGRAOB-STQMWFEESA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573595009 947413151 /nfs/dbraw/zinc/41/31/51/947413151.db2.gz WJNMGNKIZGRAOB-STQMWFEESA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573595129 947414786 /nfs/dbraw/zinc/41/47/86/947414786.db2.gz FPWBQUYGORSRDD-MNOVXSKESA-N -1 3 389.395 0.090 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573595129 947414793 /nfs/dbraw/zinc/41/47/93/947414793.db2.gz FPWBQUYGORSRDD-MNOVXSKESA-N -1 3 389.395 0.090 20 0 GCADHM CN1CCO[C@H](C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)C1 ZINC000826045092 947419155 /nfs/dbraw/zinc/41/91/55/947419155.db2.gz PAYZEWKLIDAKGM-ZDUSSCGKSA-N -1 3 388.819 0.975 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573595435 947419771 /nfs/dbraw/zinc/41/97/71/947419771.db2.gz GGABFALMOWLZLO-CMPLNLGQSA-N -1 3 389.395 0.090 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573595435 947419775 /nfs/dbraw/zinc/41/97/75/947419775.db2.gz GGABFALMOWLZLO-CMPLNLGQSA-N -1 3 389.395 0.090 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)C(=O)N(C)C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573595336 947419852 /nfs/dbraw/zinc/41/98/52/947419852.db2.gz YCOXQKJXZJQUDB-LBPRGKRZSA-N -1 3 376.465 0.454 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)C(=O)N(C)C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573595336 947419860 /nfs/dbraw/zinc/41/98/60/947419860.db2.gz YCOXQKJXZJQUDB-LBPRGKRZSA-N -1 3 376.465 0.454 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573595439 947420268 /nfs/dbraw/zinc/42/02/68/947420268.db2.gz GGABFALMOWLZLO-PWSUYJOCSA-N -1 3 389.395 0.090 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573595439 947420272 /nfs/dbraw/zinc/42/02/72/947420272.db2.gz GGABFALMOWLZLO-PWSUYJOCSA-N -1 3 389.395 0.090 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573595644 947424365 /nfs/dbraw/zinc/42/43/65/947424365.db2.gz ZJFXIZJMXQDLMN-GCVQQVDUSA-N -1 3 379.446 0.096 20 0 GCADHM C[C@@H](C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573595644 947424371 /nfs/dbraw/zinc/42/43/71/947424371.db2.gz ZJFXIZJMXQDLMN-GCVQQVDUSA-N -1 3 379.446 0.096 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573596110 947427142 /nfs/dbraw/zinc/42/71/42/947427142.db2.gz INAUGKISULUNHJ-IONNQARKSA-N -1 3 391.329 0.830 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573596110 947427149 /nfs/dbraw/zinc/42/71/49/947427149.db2.gz INAUGKISULUNHJ-IONNQARKSA-N -1 3 391.329 0.830 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573596837 947432453 /nfs/dbraw/zinc/43/24/53/947432453.db2.gz LKXMCQKWVRDKPS-YPMHNXCESA-N -1 3 385.432 0.030 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573596837 947432458 /nfs/dbraw/zinc/43/24/58/947432458.db2.gz LKXMCQKWVRDKPS-YPMHNXCESA-N -1 3 385.432 0.030 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCC(=O)N1 ZINC001573596917 947433581 /nfs/dbraw/zinc/43/35/81/947433581.db2.gz LZWQLBZMZZHFCI-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCC(=O)N1 ZINC001573596917 947433589 /nfs/dbraw/zinc/43/35/89/947433589.db2.gz LZWQLBZMZZHFCI-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCC(=O)N1 ZINC001573596915 947435276 /nfs/dbraw/zinc/43/52/76/947435276.db2.gz LZWQLBZMZZHFCI-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCC(=O)N1 ZINC001573596915 947435281 /nfs/dbraw/zinc/43/52/81/947435281.db2.gz LZWQLBZMZZHFCI-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCC(=O)N1 ZINC001573598422 947441737 /nfs/dbraw/zinc/44/17/37/947441737.db2.gz QTRCAEHONXVYCI-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCC(=O)N1 ZINC001573598422 947441740 /nfs/dbraw/zinc/44/17/40/947441740.db2.gz QTRCAEHONXVYCI-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM COC(=O)C1(O)CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000826129531 947444753 /nfs/dbraw/zinc/44/47/53/947444753.db2.gz UMEBXXUEEGHFJK-UHFFFAOYSA-N -1 3 385.384 0.417 20 0 GCADHM COC(=O)C1(O)CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000826129531 947444760 /nfs/dbraw/zinc/44/47/60/947444760.db2.gz UMEBXXUEEGHFJK-UHFFFAOYSA-N -1 3 385.384 0.417 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573599240 947451234 /nfs/dbraw/zinc/45/12/34/947451234.db2.gz WOMXEWWZRXVPSL-NWDGAFQWSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573599240 947451245 /nfs/dbraw/zinc/45/12/45/947451245.db2.gz WOMXEWWZRXVPSL-NWDGAFQWSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573599666 947461473 /nfs/dbraw/zinc/46/14/73/947461473.db2.gz ZJCUWWFYJRQFIT-JQWIXIFHSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573599666 947461478 /nfs/dbraw/zinc/46/14/78/947461478.db2.gz ZJCUWWFYJRQFIT-JQWIXIFHSA-N -1 3 387.400 0.141 20 0 GCADHM COC[C@@H](O)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826151406 947479078 /nfs/dbraw/zinc/47/90/78/947479078.db2.gz AKGABCPOACXYQJ-IONNQARKSA-N -1 3 381.414 0.294 20 0 GCADHM COC[C@@H](O)C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826151406 947479089 /nfs/dbraw/zinc/47/90/89/947479089.db2.gz AKGABCPOACXYQJ-IONNQARKSA-N -1 3 381.414 0.294 20 0 GCADHM COCC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C(N)=O ZINC000826154325 947485316 /nfs/dbraw/zinc/48/53/16/947485316.db2.gz MUPCFRYHWVHUFR-NSHDSACASA-N -1 3 377.405 0.666 20 0 GCADHM COCC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C(N)=O ZINC000826154325 947485322 /nfs/dbraw/zinc/48/53/22/947485322.db2.gz MUPCFRYHWVHUFR-NSHDSACASA-N -1 3 377.405 0.666 20 0 GCADHM COCC[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C(N)=O ZINC000826154832 947488576 /nfs/dbraw/zinc/48/85/76/947488576.db2.gz YMQWPTMVFIWGIH-NSHDSACASA-N -1 3 393.473 0.286 20 0 GCADHM COCC[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C(N)=O ZINC000826154832 947488582 /nfs/dbraw/zinc/48/85/82/947488582.db2.gz YMQWPTMVFIWGIH-NSHDSACASA-N -1 3 393.473 0.286 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573603496 947489709 /nfs/dbraw/zinc/48/97/09/947489709.db2.gz LZMZNKOPGGOBKP-LLVKDONJSA-N -1 3 385.432 0.262 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573603496 947489716 /nfs/dbraw/zinc/48/97/16/947489716.db2.gz LZMZNKOPGGOBKP-LLVKDONJSA-N -1 3 385.432 0.262 20 0 GCADHM COCCCOC1CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826156689 947494219 /nfs/dbraw/zinc/49/42/19/947494219.db2.gz PGHOBRYRMLWXLO-UHFFFAOYSA-N -1 3 376.417 0.692 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573604122 947504268 /nfs/dbraw/zinc/50/42/68/947504268.db2.gz LUDPAPRSYDUMMZ-LBPRGKRZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573604122 947504278 /nfs/dbraw/zinc/50/42/78/947504278.db2.gz LUDPAPRSYDUMMZ-LBPRGKRZSA-N -1 3 389.460 0.572 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000826161804 947506671 /nfs/dbraw/zinc/50/66/71/947506671.db2.gz ATSPPAFPHRPOJA-JTQLQIEISA-N -1 3 389.416 0.681 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000826161804 947506686 /nfs/dbraw/zinc/50/66/86/947506686.db2.gz ATSPPAFPHRPOJA-JTQLQIEISA-N -1 3 389.416 0.681 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C)C(=O)NC(=O)NC(C)C ZINC000826161840 947507108 /nfs/dbraw/zinc/50/71/08/947507108.db2.gz BWGYMXHYSFPZAV-LLVKDONJSA-N -1 3 391.432 0.927 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C)C(=O)NC(=O)NC(C)C ZINC000826161840 947507125 /nfs/dbraw/zinc/50/71/25/947507125.db2.gz BWGYMXHYSFPZAV-LLVKDONJSA-N -1 3 391.432 0.927 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCC(=O)N1 ZINC001573604380 947507349 /nfs/dbraw/zinc/50/73/49/947507349.db2.gz SUPOOGXSGBZDMT-AAEUAGOBSA-N -1 3 391.501 0.733 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=S)NCC(=O)NC(C)C ZINC000826161975 947507387 /nfs/dbraw/zinc/50/73/87/947507387.db2.gz IDMYQBPWJQVCNI-UHFFFAOYSA-N -1 3 393.473 0.703 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=S)NCC(=O)NC(C)C ZINC000826161975 947507399 /nfs/dbraw/zinc/50/73/99/947507399.db2.gz IDMYQBPWJQVCNI-UHFFFAOYSA-N -1 3 393.473 0.703 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573604238 947508675 /nfs/dbraw/zinc/50/86/75/947508675.db2.gz MVHIAQPECHOMLU-LBPRGKRZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573604238 947508684 /nfs/dbraw/zinc/50/86/84/947508684.db2.gz MVHIAQPECHOMLU-LBPRGKRZSA-N -1 3 389.460 0.572 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000826163651 947514207 /nfs/dbraw/zinc/51/42/07/947514207.db2.gz FDXPCLUDVKAMNE-UHFFFAOYSA-N -1 3 399.411 0.491 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000826163651 947514213 /nfs/dbraw/zinc/51/42/13/947514213.db2.gz FDXPCLUDVKAMNE-UHFFFAOYSA-N -1 3 399.411 0.491 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(F)F ZINC001573604690 947515711 /nfs/dbraw/zinc/51/57/11/947515711.db2.gz PNVAMACUUKVPJB-VIFPVBQESA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(F)F ZINC001573604690 947515716 /nfs/dbraw/zinc/51/57/16/947515716.db2.gz PNVAMACUUKVPJB-VIFPVBQESA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573604989 947521045 /nfs/dbraw/zinc/52/10/45/947521045.db2.gz RQWDPWJZSBAJCQ-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573604989 947521049 /nfs/dbraw/zinc/52/10/49/947521049.db2.gz RQWDPWJZSBAJCQ-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCC(=O)N1 ZINC001573605085 947523017 /nfs/dbraw/zinc/52/30/17/947523017.db2.gz YIPVTQPARFXKKE-GXFFZTMASA-N -1 3 390.423 0.210 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCC(=O)N1 ZINC001573605085 947523028 /nfs/dbraw/zinc/52/30/28/947523028.db2.gz YIPVTQPARFXKKE-GXFFZTMASA-N -1 3 390.423 0.210 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573605660 947532881 /nfs/dbraw/zinc/53/28/81/947532881.db2.gz YFTQHQRXADQHCO-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573605660 947532886 /nfs/dbraw/zinc/53/28/86/947532886.db2.gz YFTQHQRXADQHCO-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573607067 947539260 /nfs/dbraw/zinc/53/92/60/947539260.db2.gz DRSDHSAOTGONEP-LLVKDONJSA-N -1 3 387.444 0.540 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573607067 947539271 /nfs/dbraw/zinc/53/92/71/947539271.db2.gz DRSDHSAOTGONEP-LLVKDONJSA-N -1 3 387.444 0.540 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)CCCN1CCOCC1 ZINC000826176138 947548815 /nfs/dbraw/zinc/54/88/15/947548815.db2.gz COFVLKYLNYYOED-UHFFFAOYSA-N -1 3 383.430 0.306 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)CCCN1CCOCC1 ZINC000826176138 947548822 /nfs/dbraw/zinc/54/88/22/947548822.db2.gz COFVLKYLNYYOED-UHFFFAOYSA-N -1 3 383.430 0.306 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573607475 947549176 /nfs/dbraw/zinc/54/91/76/947549176.db2.gz NSBDEFQELVBKLN-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573607475 947549185 /nfs/dbraw/zinc/54/91/85/947549185.db2.gz NSBDEFQELVBKLN-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573607508 947549725 /nfs/dbraw/zinc/54/97/25/947549725.db2.gz ODPQGDMAYAJGPL-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573607508 947549734 /nfs/dbraw/zinc/54/97/34/947549734.db2.gz ODPQGDMAYAJGPL-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573608012 947554663 /nfs/dbraw/zinc/55/46/63/947554663.db2.gz UEDXJFGBEALPRS-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573608012 947554672 /nfs/dbraw/zinc/55/46/72/947554672.db2.gz UEDXJFGBEALPRS-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2)C1CC1 ZINC001573614154 947578575 /nfs/dbraw/zinc/57/85/75/947578575.db2.gz LFTWLTHGRTZMSD-ZYHUDNBSSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2)C1CC1 ZINC001573614154 947578587 /nfs/dbraw/zinc/57/85/87/947578587.db2.gz LFTWLTHGRTZMSD-ZYHUDNBSSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccn1 ZINC001573614894 947596008 /nfs/dbraw/zinc/59/60/08/947596008.db2.gz BJKORWCTEQZZMA-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccn1 ZINC001573614894 947596016 /nfs/dbraw/zinc/59/60/16/947596016.db2.gz BJKORWCTEQZZMA-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573614904 947596028 /nfs/dbraw/zinc/59/60/28/947596028.db2.gz BLFKBOHTYGVTLO-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573614904 947596036 /nfs/dbraw/zinc/59/60/36/947596036.db2.gz BLFKBOHTYGVTLO-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573614952 947596237 /nfs/dbraw/zinc/59/62/37/947596237.db2.gz BYURFCNXJCLNJN-MFKMUULPSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573614952 947596241 /nfs/dbraw/zinc/59/62/41/947596241.db2.gz BYURFCNXJCLNJN-MFKMUULPSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573614954 947596329 /nfs/dbraw/zinc/59/63/29/947596329.db2.gz BYURFCNXJCLNJN-ZWNOBZJWSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573614954 947596334 /nfs/dbraw/zinc/59/63/34/947596334.db2.gz BYURFCNXJCLNJN-ZWNOBZJWSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccn1 ZINC001573614893 947596451 /nfs/dbraw/zinc/59/64/51/947596451.db2.gz BJKORWCTEQZZMA-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccn1 ZINC001573614893 947596458 /nfs/dbraw/zinc/59/64/58/947596458.db2.gz BJKORWCTEQZZMA-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573615390 947605000 /nfs/dbraw/zinc/60/50/00/947605000.db2.gz DRFKSCFZZXUKRP-TZMCWYRMSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573615390 947605005 /nfs/dbraw/zinc/60/50/05/947605005.db2.gz DRFKSCFZZXUKRP-TZMCWYRMSA-N -1 3 382.428 0.930 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC001573355515 947642710 /nfs/dbraw/zinc/64/27/10/947642710.db2.gz QDDICTNJCJITRA-AWEZNQCLSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC001573355515 947642720 /nfs/dbraw/zinc/64/27/20/947642720.db2.gz QDDICTNJCJITRA-AWEZNQCLSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573617935 947643922 /nfs/dbraw/zinc/64/39/22/947643922.db2.gz RBGJROHWHXUODN-RKDXNWHRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573617935 947643926 /nfs/dbraw/zinc/64/39/26/947643926.db2.gz RBGJROHWHXUODN-RKDXNWHRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573618001 947645703 /nfs/dbraw/zinc/64/57/03/947645703.db2.gz OKMOXTXNOGLDJM-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573618001 947645713 /nfs/dbraw/zinc/64/57/13/947645713.db2.gz OKMOXTXNOGLDJM-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573618290 947647662 /nfs/dbraw/zinc/64/76/62/947647662.db2.gz QFOHTJSIHSVMBU-MFKMUULPSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573618290 947647668 /nfs/dbraw/zinc/64/76/68/947647668.db2.gz QFOHTJSIHSVMBU-MFKMUULPSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573618765 947655026 /nfs/dbraw/zinc/65/50/26/947655026.db2.gz RYFTUJXYCOOUBP-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573618765 947655033 /nfs/dbraw/zinc/65/50/33/947655033.db2.gz RYFTUJXYCOOUBP-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)cc1 ZINC001573358168 947660242 /nfs/dbraw/zinc/66/02/42/947660242.db2.gz BNXIWTRMNJCFPP-HZPDHXFCSA-N -1 3 377.408 0.884 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)cc1 ZINC001573358168 947660245 /nfs/dbraw/zinc/66/02/45/947660245.db2.gz BNXIWTRMNJCFPP-HZPDHXFCSA-N -1 3 377.408 0.884 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573620217 947678236 /nfs/dbraw/zinc/67/82/36/947678236.db2.gz ZICJFWUCXWCOTA-KPZWWZAWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573620217 947678241 /nfs/dbraw/zinc/67/82/41/947678241.db2.gz ZICJFWUCXWCOTA-KPZWWZAWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573620352 947679329 /nfs/dbraw/zinc/67/93/29/947679329.db2.gz ZSFSANHYNBYZFB-OLZOCXBDSA-N -1 3 382.432 0.399 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573620352 947679331 /nfs/dbraw/zinc/67/93/31/947679331.db2.gz ZSFSANHYNBYZFB-OLZOCXBDSA-N -1 3 382.432 0.399 20 0 GCADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCN1S(C)(=O)=O ZINC000826232326 947679622 /nfs/dbraw/zinc/67/96/22/947679622.db2.gz BCBGMNGZEVUARW-VIFPVBQESA-N -1 3 383.409 0.503 20 0 GCADHM C[C@H]1CN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCN1S(C)(=O)=O ZINC000826232326 947679628 /nfs/dbraw/zinc/67/96/28/947679628.db2.gz BCBGMNGZEVUARW-VIFPVBQESA-N -1 3 383.409 0.503 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573622471 947680071 /nfs/dbraw/zinc/68/00/71/947680071.db2.gz ACDPRRQRKRINKE-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573622471 947680079 /nfs/dbraw/zinc/68/00/79/947680079.db2.gz ACDPRRQRKRINKE-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CCN1S(C)(=O)=O ZINC000826232902 947682956 /nfs/dbraw/zinc/68/29/56/947682956.db2.gz MMRGDVNBXDMGJP-QMMMGPOBSA-N -1 3 391.379 0.751 20 0 GCADHM C[C@H]1CN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CCN1S(C)(=O)=O ZINC000826232902 947682968 /nfs/dbraw/zinc/68/29/68/947682968.db2.gz MMRGDVNBXDMGJP-QMMMGPOBSA-N -1 3 391.379 0.751 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573623148 947686046 /nfs/dbraw/zinc/68/60/46/947686046.db2.gz DGDWJWCERCYJKU-FZMZJTMJSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573623148 947686054 /nfs/dbraw/zinc/68/60/54/947686054.db2.gz DGDWJWCERCYJKU-FZMZJTMJSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncnc1 ZINC001573623937 947691739 /nfs/dbraw/zinc/69/17/39/947691739.db2.gz JAVBWQHEQHMOLE-CMPLNLGQSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncnc1 ZINC001573623937 947691749 /nfs/dbraw/zinc/69/17/49/947691749.db2.gz JAVBWQHEQHMOLE-CMPLNLGQSA-N -1 3 381.400 0.119 20 0 GCADHM C/C(=C/C(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1)C1CC1 ZINC001573361582 947692129 /nfs/dbraw/zinc/69/21/29/947692129.db2.gz BTOLRLJGVYADRZ-UZRURVBFSA-N -1 3 383.456 0.984 20 0 GCADHM C/C(=C/C(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1)C1CC1 ZINC001573361582 947692136 /nfs/dbraw/zinc/69/21/36/947692136.db2.gz BTOLRLJGVYADRZ-UZRURVBFSA-N -1 3 383.456 0.984 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573624021 947693711 /nfs/dbraw/zinc/69/37/11/947693711.db2.gz JIMFNCADFBQDLS-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573624021 947693718 /nfs/dbraw/zinc/69/37/18/947693718.db2.gz JIMFNCADFBQDLS-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573625201 947699851 /nfs/dbraw/zinc/69/98/51/947699851.db2.gz NUUCBQZUDIOUCI-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573625201 947699858 /nfs/dbraw/zinc/69/98/58/947699858.db2.gz NUUCBQZUDIOUCI-GXTWGEPZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573625545 947701615 /nfs/dbraw/zinc/70/16/15/947701615.db2.gz OSWYOZFMTRWQGV-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573625545 947701624 /nfs/dbraw/zinc/70/16/24/947701624.db2.gz OSWYOZFMTRWQGV-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001573626309 947707570 /nfs/dbraw/zinc/70/75/70/947707570.db2.gz SVPDNCFVBBFTMM-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001573626309 947707580 /nfs/dbraw/zinc/70/75/80/947707580.db2.gz SVPDNCFVBBFTMM-MFKMUULPSA-N -1 3 383.416 0.063 20 0 GCADHM C/C(=C/C(=O)N1C[C@@H]2C(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1)C1CC1 ZINC001573363397 947710879 /nfs/dbraw/zinc/71/08/79/947710879.db2.gz NPTQDBCMJASUOF-IWHAQGRRSA-N -1 3 381.440 0.985 20 0 GCADHM C/C(=C/C(=O)N1C[C@@H]2C(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1)C1CC1 ZINC001573363397 947710883 /nfs/dbraw/zinc/71/08/83/947710883.db2.gz NPTQDBCMJASUOF-IWHAQGRRSA-N -1 3 381.440 0.985 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573626936 947714335 /nfs/dbraw/zinc/71/43/35/947714335.db2.gz XMEFZBGGHFTSRP-VOJFVSQTSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573626936 947714336 /nfs/dbraw/zinc/71/43/36/947714336.db2.gz XMEFZBGGHFTSRP-VOJFVSQTSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573627443 947723514 /nfs/dbraw/zinc/72/35/14/947723514.db2.gz BMBNLTIBPBQOHM-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573627443 947723521 /nfs/dbraw/zinc/72/35/21/947723521.db2.gz BMBNLTIBPBQOHM-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573627442 947724118 /nfs/dbraw/zinc/72/41/18/947724118.db2.gz BMBNLTIBPBQOHM-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573627442 947724126 /nfs/dbraw/zinc/72/41/26/947724126.db2.gz BMBNLTIBPBQOHM-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573627440 947724151 /nfs/dbraw/zinc/72/41/51/947724151.db2.gz BMBNLTIBPBQOHM-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573627440 947724157 /nfs/dbraw/zinc/72/41/57/947724157.db2.gz BMBNLTIBPBQOHM-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573627686 947731643 /nfs/dbraw/zinc/73/16/43/947731643.db2.gz DVJFOIBLZCGMQR-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573627686 947731648 /nfs/dbraw/zinc/73/16/48/947731648.db2.gz DVJFOIBLZCGMQR-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573627998 947742092 /nfs/dbraw/zinc/74/20/92/947742092.db2.gz DXSVIKMSDRTTDP-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573627998 947742100 /nfs/dbraw/zinc/74/21/00/947742100.db2.gz DXSVIKMSDRTTDP-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)c2nncn2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258556 947747622 /nfs/dbraw/zinc/74/76/22/947747622.db2.gz OICDXFRNEXBDJU-NSHDSACASA-N -1 3 378.400 0.980 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)c2nncn2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258556 947747634 /nfs/dbraw/zinc/74/76/34/947747634.db2.gz OICDXFRNEXBDJU-NSHDSACASA-N -1 3 378.400 0.980 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573628333 947753262 /nfs/dbraw/zinc/75/32/62/947753262.db2.gz GWBTUAICIXHPHG-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573628333 947753271 /nfs/dbraw/zinc/75/32/71/947753271.db2.gz GWBTUAICIXHPHG-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573367266 947756998 /nfs/dbraw/zinc/75/69/98/947756998.db2.gz BFVSFMCCTDRRHQ-SMDDNHRTSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573367266 947757006 /nfs/dbraw/zinc/75/70/06/947757006.db2.gz BFVSFMCCTDRRHQ-SMDDNHRTSA-N -1 3 387.444 0.778 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573628717 947763624 /nfs/dbraw/zinc/76/36/24/947763624.db2.gz NRTVITQAFGBRQP-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573628717 947763633 /nfs/dbraw/zinc/76/36/33/947763633.db2.gz NRTVITQAFGBRQP-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573367929 947764809 /nfs/dbraw/zinc/76/48/09/947764809.db2.gz JAMMMOVHAFUDBQ-AAEUAGOBSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573367929 947764819 /nfs/dbraw/zinc/76/48/19/947764819.db2.gz JAMMMOVHAFUDBQ-AAEUAGOBSA-N -1 3 387.444 0.778 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573628819 947765138 /nfs/dbraw/zinc/76/51/38/947765138.db2.gz OHHHBKJUPVADFS-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573628819 947765144 /nfs/dbraw/zinc/76/51/44/947765144.db2.gz OHHHBKJUPVADFS-OCCSQVGLSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573367940 947765491 /nfs/dbraw/zinc/76/54/91/947765491.db2.gz JEKBFSBUZRAABN-GOSISDBHSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573367940 947765500 /nfs/dbraw/zinc/76/55/00/947765500.db2.gz JEKBFSBUZRAABN-GOSISDBHSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573367978 947765580 /nfs/dbraw/zinc/76/55/80/947765580.db2.gz KCOKLSOHMOZTLL-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573367978 947765587 /nfs/dbraw/zinc/76/55/87/947765587.db2.gz KCOKLSOHMOZTLL-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573628849 947766079 /nfs/dbraw/zinc/76/60/79/947766079.db2.gz OMECOZCWMNNWBN-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573628849 947766085 /nfs/dbraw/zinc/76/60/85/947766085.db2.gz OMECOZCWMNNWBN-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM Cc1cc(CN2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)on1 ZINC000826266111 947768172 /nfs/dbraw/zinc/76/81/72/947768172.db2.gz CGZVEBJGDOVHAR-MRXNPFEDSA-N -1 3 383.412 0.541 20 0 GCADHM Cc1cc(CN2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)on1 ZINC000826266111 947768179 /nfs/dbraw/zinc/76/81/79/947768179.db2.gz CGZVEBJGDOVHAR-MRXNPFEDSA-N -1 3 383.412 0.541 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573368738 947768618 /nfs/dbraw/zinc/76/86/18/947768618.db2.gz OOOYBTNEBLIIPA-AWEZNQCLSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573368738 947768623 /nfs/dbraw/zinc/76/86/23/947768623.db2.gz OOOYBTNEBLIIPA-AWEZNQCLSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573628997 947769083 /nfs/dbraw/zinc/76/90/83/947769083.db2.gz QARVQQBKUHXKBY-GFCCVEGCSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573628997 947769094 /nfs/dbraw/zinc/76/90/94/947769094.db2.gz QARVQQBKUHXKBY-GFCCVEGCSA-N -1 3 386.460 0.257 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573368742 947769243 /nfs/dbraw/zinc/76/92/43/947769243.db2.gz OPQKFHIZPIKMJN-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573368742 947769258 /nfs/dbraw/zinc/76/92/58/947769258.db2.gz OPQKFHIZPIKMJN-ZDUSSCGKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573369180 947772253 /nfs/dbraw/zinc/77/22/53/947772253.db2.gz QZPIPQUEKJAHEM-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573369180 947772256 /nfs/dbraw/zinc/77/22/56/947772256.db2.gz QZPIPQUEKJAHEM-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573369237 947772712 /nfs/dbraw/zinc/77/27/12/947772712.db2.gz RZXONJHHAISTDB-ZDUSSCGKSA-N -1 3 375.433 0.561 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573369237 947772726 /nfs/dbraw/zinc/77/27/26/947772726.db2.gz RZXONJHHAISTDB-ZDUSSCGKSA-N -1 3 375.433 0.561 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573369230 947772917 /nfs/dbraw/zinc/77/29/17/947772917.db2.gz RWZRFOUOKMOCSA-CQSZACIVSA-N -1 3 389.460 0.585 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573369230 947772927 /nfs/dbraw/zinc/77/29/27/947772927.db2.gz RWZRFOUOKMOCSA-CQSZACIVSA-N -1 3 389.460 0.585 20 0 GCADHM Cc1onc(CC(=O)N[C@H]2CCCN(c3cc(C)nc(C)n3)C2)c1-c1nnn[n-]1 ZINC000826269134 947777523 /nfs/dbraw/zinc/77/75/23/947777523.db2.gz BDMSKMBCILAICR-ZDUSSCGKSA-N -1 3 397.443 0.898 20 0 GCADHM Cc1onc(CC(=O)N[C@H]2CCCN(c3cc(C)nc(C)n3)C2)c1-c1nn[n-]n1 ZINC000826269134 947777530 /nfs/dbraw/zinc/77/75/30/947777530.db2.gz BDMSKMBCILAICR-ZDUSSCGKSA-N -1 3 397.443 0.898 20 0 GCADHM CC(=O)CCCC(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573369887 947778453 /nfs/dbraw/zinc/77/84/53/947778453.db2.gz YYZUSFVBSGGLEQ-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM CC(=O)CCCC(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573369887 947778459 /nfs/dbraw/zinc/77/84/59/947778459.db2.gz YYZUSFVBSGGLEQ-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573630282 947789761 /nfs/dbraw/zinc/78/97/61/947789761.db2.gz XOAVYTLUMCPIRJ-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573630282 947789771 /nfs/dbraw/zinc/78/97/71/947789771.db2.gz XOAVYTLUMCPIRJ-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573630283 947791100 /nfs/dbraw/zinc/79/11/00/947791100.db2.gz XOAVYTLUMCPIRJ-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573630283 947791106 /nfs/dbraw/zinc/79/11/06/947791106.db2.gz XOAVYTLUMCPIRJ-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573630285 947791224 /nfs/dbraw/zinc/79/12/24/947791224.db2.gz XOAVYTLUMCPIRJ-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573630285 947791229 /nfs/dbraw/zinc/79/12/29/947791229.db2.gz XOAVYTLUMCPIRJ-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573631491 947801398 /nfs/dbraw/zinc/80/13/98/947801398.db2.gz VMXHKTVNRKJJND-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573631491 947801407 /nfs/dbraw/zinc/80/14/07/947801407.db2.gz VMXHKTVNRKJJND-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573631812 947805176 /nfs/dbraw/zinc/80/51/76/947805176.db2.gz WZJWRSQUSOBVQY-ZYHUDNBSSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573631812 947805184 /nfs/dbraw/zinc/80/51/84/947805184.db2.gz WZJWRSQUSOBVQY-ZYHUDNBSSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573632267 947809216 /nfs/dbraw/zinc/80/92/16/947809216.db2.gz ZNWCCBGQHYFTKI-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573632267 947809222 /nfs/dbraw/zinc/80/92/22/947809222.db2.gz ZNWCCBGQHYFTKI-OLZOCXBDSA-N -1 3 382.432 0.765 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573374680 947811601 /nfs/dbraw/zinc/81/16/01/947811601.db2.gz PDCLHIXMRNWEEF-FZMZJTMJSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573374680 947811607 /nfs/dbraw/zinc/81/16/07/947811607.db2.gz PDCLHIXMRNWEEF-FZMZJTMJSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573374999 947814228 /nfs/dbraw/zinc/81/42/28/947814228.db2.gz LPJBDRJDDGPOEI-ZIAGYGMSSA-N -1 3 392.485 0.739 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O ZINC001573374999 947814235 /nfs/dbraw/zinc/81/42/35/947814235.db2.gz LPJBDRJDDGPOEI-ZIAGYGMSSA-N -1 3 392.485 0.739 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637796 947823879 /nfs/dbraw/zinc/82/38/79/947823879.db2.gz QUISHRZNTUAFIP-JSGCOSHPSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637796 947823885 /nfs/dbraw/zinc/82/38/85/947823885.db2.gz QUISHRZNTUAFIP-JSGCOSHPSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)CCCC(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573375715 947826229 /nfs/dbraw/zinc/82/62/29/947826229.db2.gz UFLFXUFAWRGKEB-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM CC(=O)CCCC(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573375715 947826240 /nfs/dbraw/zinc/82/62/40/947826240.db2.gz UFLFXUFAWRGKEB-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM C[C@H](C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638119 947833230 /nfs/dbraw/zinc/83/32/30/947833230.db2.gz FAEDGEBSYKVJIH-BBRMVZONSA-N -1 3 383.456 0.426 20 0 GCADHM C[C@H](C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638119 947833239 /nfs/dbraw/zinc/83/32/39/947833239.db2.gz FAEDGEBSYKVJIH-BBRMVZONSA-N -1 3 383.456 0.426 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cncnc1 ZINC001573638213 947836590 /nfs/dbraw/zinc/83/65/90/947836590.db2.gz JUYIVVKFYCJTPV-LLVKDONJSA-N -1 3 381.400 0.073 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cncnc1 ZINC001573638213 947836597 /nfs/dbraw/zinc/83/65/97/947836597.db2.gz JUYIVVKFYCJTPV-LLVKDONJSA-N -1 3 381.400 0.073 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573376811 947841305 /nfs/dbraw/zinc/84/13/05/947841305.db2.gz YJXYDOFSPTXGQH-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573376811 947841314 /nfs/dbraw/zinc/84/13/14/947841314.db2.gz YJXYDOFSPTXGQH-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001573376834 947842267 /nfs/dbraw/zinc/84/22/67/947842267.db2.gz YTUDFLAWLSKMIG-WCQYABFASA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001573376834 947842275 /nfs/dbraw/zinc/84/22/75/947842275.db2.gz YTUDFLAWLSKMIG-WCQYABFASA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573376812 947842368 /nfs/dbraw/zinc/84/23/68/947842368.db2.gz YJXYDOFSPTXGQH-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573376812 947842381 /nfs/dbraw/zinc/84/23/81/947842381.db2.gz YJXYDOFSPTXGQH-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001573376832 947842714 /nfs/dbraw/zinc/84/27/14/947842714.db2.gz YTUDFLAWLSKMIG-AAEUAGOBSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001573376832 947842719 /nfs/dbraw/zinc/84/27/19/947842719.db2.gz YTUDFLAWLSKMIG-AAEUAGOBSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CCO[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573377076 947846050 /nfs/dbraw/zinc/84/60/50/947846050.db2.gz HFRHEOCPNKALGQ-AWEZNQCLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N1CCO[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573377076 947846056 /nfs/dbraw/zinc/84/60/56/947846056.db2.gz HFRHEOCPNKALGQ-AWEZNQCLSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573639762 947847938 /nfs/dbraw/zinc/84/79/38/947847938.db2.gz CPOKFYJCRDAFPY-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573639762 947847942 /nfs/dbraw/zinc/84/79/42/947847942.db2.gz CPOKFYJCRDAFPY-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)[C@H]1CCCO1 ZINC001573639751 947848141 /nfs/dbraw/zinc/84/81/41/947848141.db2.gz CEYYHYLWAZRSCR-SMDDNHRTSA-N -1 3 375.408 0.865 20 0 GCADHM C[C@H](C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)[C@H]1CCCO1 ZINC001573639751 947848148 /nfs/dbraw/zinc/84/81/48/947848148.db2.gz CEYYHYLWAZRSCR-SMDDNHRTSA-N -1 3 375.408 0.865 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573377717 947851152 /nfs/dbraw/zinc/85/11/52/947851152.db2.gz RBPUIXOXBSOIFM-QWRGUYRKSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573377717 947851164 /nfs/dbraw/zinc/85/11/64/947851164.db2.gz RBPUIXOXBSOIFM-QWRGUYRKSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573377412 947851315 /nfs/dbraw/zinc/85/13/15/947851315.db2.gz NMBBBGXEHSGDBP-SFHVURJKSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573377412 947851323 /nfs/dbraw/zinc/85/13/23/947851323.db2.gz NMBBBGXEHSGDBP-SFHVURJKSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@H](C(=O)N1CCOC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1)C1CC1 ZINC001573640510 947852143 /nfs/dbraw/zinc/85/21/43/947852143.db2.gz HUZNSOQIOMKDHM-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](C(=O)N1CCOC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1)C1CC1 ZINC001573640510 947852150 /nfs/dbraw/zinc/85/21/50/947852150.db2.gz HUZNSOQIOMKDHM-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM CC(=O)CCCC(=O)N[C@@](C)(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573378226 947854037 /nfs/dbraw/zinc/85/40/37/947854037.db2.gz WURVZLKRQRAFLG-SFHVURJKSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@](C)(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573378226 947854042 /nfs/dbraw/zinc/85/40/42/947854042.db2.gz WURVZLKRQRAFLG-SFHVURJKSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573641262 947856870 /nfs/dbraw/zinc/85/68/70/947856870.db2.gz LXYAIFLNGLWHCF-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573641262 947856880 /nfs/dbraw/zinc/85/68/80/947856880.db2.gz LXYAIFLNGLWHCF-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573641267 947857557 /nfs/dbraw/zinc/85/75/57/947857557.db2.gz LXYAIFLNGLWHCF-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573641267 947857566 /nfs/dbraw/zinc/85/75/66/947857566.db2.gz LXYAIFLNGLWHCF-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573380507 947858479 /nfs/dbraw/zinc/85/84/79/947858479.db2.gz DMLVODXDKMDPHQ-SFHVURJKSA-N -1 3 387.444 0.387 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573380507 947858482 /nfs/dbraw/zinc/85/84/82/947858482.db2.gz DMLVODXDKMDPHQ-SFHVURJKSA-N -1 3 387.444 0.387 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573380704 947863396 /nfs/dbraw/zinc/86/33/96/947863396.db2.gz GNSQERCNSQXRIR-XYYAHUGASA-N -1 3 385.428 0.388 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573380704 947863401 /nfs/dbraw/zinc/86/34/01/947863401.db2.gz GNSQERCNSQXRIR-XYYAHUGASA-N -1 3 385.428 0.388 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573380939 947867396 /nfs/dbraw/zinc/86/73/96/947867396.db2.gz KOMCBPUUIPPLAB-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573380939 947867402 /nfs/dbraw/zinc/86/74/02/947867402.db2.gz KOMCBPUUIPPLAB-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573643715 947868240 /nfs/dbraw/zinc/86/82/40/947868240.db2.gz WNWQZZDOIZBKCG-YPMHNXCESA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573643715 947868248 /nfs/dbraw/zinc/86/82/48/947868248.db2.gz WNWQZZDOIZBKCG-YPMHNXCESA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573646166 947871198 /nfs/dbraw/zinc/87/11/98/947871198.db2.gz FZRWQYQNTLQGRU-ZJUUUORDSA-N -1 3 382.421 0.452 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573646166 947871206 /nfs/dbraw/zinc/87/12/06/947871206.db2.gz FZRWQYQNTLQGRU-ZJUUUORDSA-N -1 3 382.421 0.452 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573381224 947871359 /nfs/dbraw/zinc/87/13/59/947871359.db2.gz RCDQMQIYBJFICS-ZSOGYDGISA-N -1 3 385.428 0.388 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573381224 947871367 /nfs/dbraw/zinc/87/13/67/947871367.db2.gz RCDQMQIYBJFICS-ZSOGYDGISA-N -1 3 385.428 0.388 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)c1cnn(C)c1 ZINC001573646269 947876270 /nfs/dbraw/zinc/87/62/70/947876270.db2.gz KSDAFTWYUDDFJH-IIYDPXPESA-N -1 3 393.455 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)c1cnn(C)c1 ZINC001573646269 947876281 /nfs/dbraw/zinc/87/62/81/947876281.db2.gz KSDAFTWYUDDFJH-IIYDPXPESA-N -1 3 393.455 0.836 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573381650 947876690 /nfs/dbraw/zinc/87/66/90/947876690.db2.gz XEPJCFIRGNDLJW-STQMWFEESA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573381650 947876701 /nfs/dbraw/zinc/87/67/01/947876701.db2.gz XEPJCFIRGNDLJW-STQMWFEESA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573381697 947876984 /nfs/dbraw/zinc/87/69/84/947876984.db2.gz YBDIPUKEXHNAIE-GOSISDBHSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573381697 947876990 /nfs/dbraw/zinc/87/69/90/947876990.db2.gz YBDIPUKEXHNAIE-GOSISDBHSA-N -1 3 387.444 0.733 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573382076 947881291 /nfs/dbraw/zinc/88/12/91/947881291.db2.gz DHQIOKZNRZGYNC-AWEZNQCLSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573382076 947881300 /nfs/dbraw/zinc/88/13/00/947881300.db2.gz DHQIOKZNRZGYNC-AWEZNQCLSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573381940 947882016 /nfs/dbraw/zinc/88/20/16/947882016.db2.gz ZWOUPICEHVOZAS-STQMWFEESA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573381940 947882026 /nfs/dbraw/zinc/88/20/26/947882026.db2.gz ZWOUPICEHVOZAS-STQMWFEESA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C[C@H]1O ZINC001573382470 947882443 /nfs/dbraw/zinc/88/24/43/947882443.db2.gz HCESNZHJPCIWOX-HZPDHXFCSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O ZINC001573382470 947882451 /nfs/dbraw/zinc/88/24/51/947882451.db2.gz HCESNZHJPCIWOX-HZPDHXFCSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573382537 947886539 /nfs/dbraw/zinc/88/65/39/947886539.db2.gz HZPQPMLPKVGJBH-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573382537 947886548 /nfs/dbraw/zinc/88/65/48/947886548.db2.gz HZPQPMLPKVGJBH-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCO1 ZINC001573383442 947889915 /nfs/dbraw/zinc/88/99/15/947889915.db2.gz QPNIAKCAUMPMEW-CQSZACIVSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCO1 ZINC001573383442 947889922 /nfs/dbraw/zinc/88/99/22/947889922.db2.gz QPNIAKCAUMPMEW-CQSZACIVSA-N -1 3 387.444 0.651 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573647477 947894514 /nfs/dbraw/zinc/89/45/14/947894514.db2.gz MHBQGAHERUUCKT-TYNCELHUSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573647477 947894522 /nfs/dbraw/zinc/89/45/22/947894522.db2.gz MHBQGAHERUUCKT-TYNCELHUSA-N -1 3 382.428 0.834 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001573383813 947895023 /nfs/dbraw/zinc/89/50/23/947895023.db2.gz XQEBDIMTVGCCMI-SMDDNHRTSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001573383813 947895035 /nfs/dbraw/zinc/89/50/35/947895035.db2.gz XQEBDIMTVGCCMI-SMDDNHRTSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573383537 947895218 /nfs/dbraw/zinc/89/52/18/947895218.db2.gz VTEOTWWWWFOUCD-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM CC(=O)CCCC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573383537 947895224 /nfs/dbraw/zinc/89/52/24/947895224.db2.gz VTEOTWWWWFOUCD-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM C[C@@H](C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)N1CCN(C)CC1 ZINC001573647635 947899533 /nfs/dbraw/zinc/89/95/33/947899533.db2.gz RAEGSXNDFKQPFV-JTQLQIEISA-N -1 3 376.490 0.031 20 0 GCADHM C[C@@H](C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)N1CCN(C)CC1 ZINC001573647635 947899543 /nfs/dbraw/zinc/89/95/43/947899543.db2.gz RAEGSXNDFKQPFV-JTQLQIEISA-N -1 3 376.490 0.031 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1)n1cncn1 ZINC001573647595 947900480 /nfs/dbraw/zinc/90/04/80/947900480.db2.gz PTOQBELXPJKWIQ-JHJVBQTASA-N -1 3 382.432 0.621 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1)n1cncn1 ZINC001573647595 947900488 /nfs/dbraw/zinc/90/04/88/947900488.db2.gz PTOQBELXPJKWIQ-JHJVBQTASA-N -1 3 382.432 0.621 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001573384430 947902063 /nfs/dbraw/zinc/90/20/63/947902063.db2.gz MYOCHYGPMUOZRM-OLZOCXBDSA-N -1 3 378.458 0.349 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573384530 947903554 /nfs/dbraw/zinc/90/35/54/947903554.db2.gz QOIWKVQKIQUGAE-TZMCWYRMSA-N -1 3 376.392 0.431 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573384530 947903562 /nfs/dbraw/zinc/90/35/62/947903562.db2.gz QOIWKVQKIQUGAE-TZMCWYRMSA-N -1 3 376.392 0.431 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573387905 947915428 /nfs/dbraw/zinc/91/54/28/947915428.db2.gz FZYBJOMJXZWKOX-UHFFFAOYSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573387905 947915434 /nfs/dbraw/zinc/91/54/34/947915434.db2.gz FZYBJOMJXZWKOX-UHFFFAOYSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573388141 947917086 /nfs/dbraw/zinc/91/70/86/947917086.db2.gz IMDQLPASCRHARB-SMDDNHRTSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573388141 947917094 /nfs/dbraw/zinc/91/70/94/947917094.db2.gz IMDQLPASCRHARB-SMDDNHRTSA-N -1 3 386.460 0.555 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573651148 947917848 /nfs/dbraw/zinc/91/78/48/947917848.db2.gz IXLMRAQSPAUGSR-UBHSHLNASA-N -1 3 392.423 0.819 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573651148 947917855 /nfs/dbraw/zinc/91/78/55/947917855.db2.gz IXLMRAQSPAUGSR-UBHSHLNASA-N -1 3 392.423 0.819 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573388695 947920154 /nfs/dbraw/zinc/92/01/54/947920154.db2.gz NSEWUPAYSJWGMR-UHFFFAOYSA-N -1 3 380.840 0.288 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573388695 947920157 /nfs/dbraw/zinc/92/01/57/947920157.db2.gz NSEWUPAYSJWGMR-UHFFFAOYSA-N -1 3 380.840 0.288 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573651493 947921401 /nfs/dbraw/zinc/92/14/01/947921401.db2.gz MOEQMBJSSLOEKE-CQDKDKBSSA-N -1 3 390.469 0.085 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001573652025 947927863 /nfs/dbraw/zinc/92/78/63/947927863.db2.gz UNQQPLYSLILTIX-PRHQYYMVSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001573652025 947927872 /nfs/dbraw/zinc/92/78/72/947927872.db2.gz UNQQPLYSLILTIX-PRHQYYMVSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573652082 947928920 /nfs/dbraw/zinc/92/89/20/947928920.db2.gz AOPXTYZQOBEODO-RYUDHWBXSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573652082 947928923 /nfs/dbraw/zinc/92/89/23/947928923.db2.gz AOPXTYZQOBEODO-RYUDHWBXSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccn1 ZINC001573652110 947929357 /nfs/dbraw/zinc/92/93/57/947929357.db2.gz AZGUNOKHSSLIRY-YGRLFVJLSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccn1 ZINC001573652110 947929365 /nfs/dbraw/zinc/92/93/65/947929365.db2.gz AZGUNOKHSSLIRY-YGRLFVJLSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)n1cncn1 ZINC001573652212 947932100 /nfs/dbraw/zinc/93/21/00/947932100.db2.gz BJMQNLVGJXMVLP-GTNSWQLSSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)n1cncn1 ZINC001573652212 947932107 /nfs/dbraw/zinc/93/21/07/947932107.db2.gz BJMQNLVGJXMVLP-GTNSWQLSSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573652282 947933168 /nfs/dbraw/zinc/93/31/68/947933168.db2.gz WROINSMMTACELF-XBFCOCLRSA-N -1 3 379.428 0.588 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573652282 947933178 /nfs/dbraw/zinc/93/31/78/947933178.db2.gz WROINSMMTACELF-XBFCOCLRSA-N -1 3 379.428 0.588 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573390965 947933464 /nfs/dbraw/zinc/93/34/64/947933464.db2.gz DVLMNIVTNVNXNQ-GFCCVEGCSA-N -1 3 376.396 0.282 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573390965 947933474 /nfs/dbraw/zinc/93/34/74/947933474.db2.gz DVLMNIVTNVNXNQ-GFCCVEGCSA-N -1 3 376.396 0.282 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573391205 947933649 /nfs/dbraw/zinc/93/36/49/947933649.db2.gz FOLDLSKZNUMNGT-UHFFFAOYSA-N -1 3 378.824 0.042 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573391205 947933656 /nfs/dbraw/zinc/93/36/56/947933656.db2.gz FOLDLSKZNUMNGT-UHFFFAOYSA-N -1 3 378.824 0.042 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573391275 947934507 /nfs/dbraw/zinc/93/45/07/947934507.db2.gz FVUDXZQRXUBJGL-HNNXBMFYSA-N -1 3 386.460 0.557 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573391275 947934515 /nfs/dbraw/zinc/93/45/15/947934515.db2.gz FVUDXZQRXUBJGL-HNNXBMFYSA-N -1 3 386.460 0.557 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573652353 947935026 /nfs/dbraw/zinc/93/50/26/947935026.db2.gz XWGLLOSCXYBTHL-UGFHNGPFSA-N -1 3 390.469 0.085 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573652302 947935585 /nfs/dbraw/zinc/93/55/85/947935585.db2.gz CDRXLJKOLISMLQ-JOYOIKCWSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573652302 947935595 /nfs/dbraw/zinc/93/55/95/947935595.db2.gz CDRXLJKOLISMLQ-JOYOIKCWSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573652299 947935936 /nfs/dbraw/zinc/93/59/36/947935936.db2.gz CDRXLJKOLISMLQ-BXKDBHETSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573652299 947935944 /nfs/dbraw/zinc/93/59/44/947935944.db2.gz CDRXLJKOLISMLQ-BXKDBHETSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C1CCCC1 ZINC001573652388 947937452 /nfs/dbraw/zinc/93/74/52/947937452.db2.gz YRMXCEDUGRIGJW-KMUNFCNLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C1CCCC1 ZINC001573652388 947937457 /nfs/dbraw/zinc/93/74/57/947937457.db2.gz YRMXCEDUGRIGJW-KMUNFCNLSA-N -1 3 387.444 0.323 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573391798 947937664 /nfs/dbraw/zinc/93/76/64/947937664.db2.gz KWGGAKGJWHOFBN-CQSZACIVSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573391798 947937675 /nfs/dbraw/zinc/93/76/75/947937675.db2.gz KWGGAKGJWHOFBN-CQSZACIVSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573391804 947937978 /nfs/dbraw/zinc/93/79/78/947937978.db2.gz LEKKXELHOCSODQ-CYBMUJFWSA-N -1 3 389.435 0.911 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573391804 947937983 /nfs/dbraw/zinc/93/79/83/947937983.db2.gz LEKKXELHOCSODQ-CYBMUJFWSA-N -1 3 389.435 0.911 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573391845 947938339 /nfs/dbraw/zinc/93/83/39/947938339.db2.gz MFKLALIHKAAYAU-LBPRGKRZSA-N -1 3 392.851 0.796 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573391845 947938342 /nfs/dbraw/zinc/93/83/42/947938342.db2.gz MFKLALIHKAAYAU-LBPRGKRZSA-N -1 3 392.851 0.796 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573391791 947938514 /nfs/dbraw/zinc/93/85/14/947938514.db2.gz KSYVWFDMRQVQMV-GJZGRUSLSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573391791 947938519 /nfs/dbraw/zinc/93/85/19/947938519.db2.gz KSYVWFDMRQVQMV-GJZGRUSLSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573392117 947942120 /nfs/dbraw/zinc/94/21/20/947942120.db2.gz SOAFFPOQSJEJPI-OAHLLOKOSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573392117 947942126 /nfs/dbraw/zinc/94/21/26/947942126.db2.gz SOAFFPOQSJEJPI-OAHLLOKOSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)S(C)(=O)=O ZINC001573652587 947943024 /nfs/dbraw/zinc/94/30/24/947943024.db2.gz DXNUSKJPAYGAKU-RNCFNFMXSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)S(C)(=O)=O ZINC001573652587 947943028 /nfs/dbraw/zinc/94/30/28/947943028.db2.gz DXNUSKJPAYGAKU-RNCFNFMXSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573652659 947943549 /nfs/dbraw/zinc/94/35/49/947943549.db2.gz GACHPGKWYLPVMZ-SKDRFNHKSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573652659 947943554 /nfs/dbraw/zinc/94/35/54/947943554.db2.gz GACHPGKWYLPVMZ-SKDRFNHKSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573392226 947944502 /nfs/dbraw/zinc/94/45/02/947944502.db2.gz XRTITYBIUULEGW-LBPRGKRZSA-N -1 3 392.489 0.537 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573392405 947947046 /nfs/dbraw/zinc/94/70/46/947947046.db2.gz AQCXGODNFKRLQT-JSGCOSHPSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573392405 947947049 /nfs/dbraw/zinc/94/70/49/947947049.db2.gz AQCXGODNFKRLQT-JSGCOSHPSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392694 947951358 /nfs/dbraw/zinc/95/13/58/947951358.db2.gz FBNLLKHHAXABEG-OCCSQVGLSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392694 947951369 /nfs/dbraw/zinc/95/13/69/947951369.db2.gz FBNLLKHHAXABEG-OCCSQVGLSA-N -1 3 386.460 0.779 20 0 GCADHM Cc1nnc(CN2CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2)[nH]1 ZINC000826326072 947953225 /nfs/dbraw/zinc/95/32/25/947953225.db2.gz YPHWDLMBXAMLFU-UHFFFAOYSA-N -1 3 388.461 0.111 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@@H]1C ZINC001573393039 947954187 /nfs/dbraw/zinc/95/41/87/947954187.db2.gz IRAWHABYYFGRFR-ZANVPECISA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@@H]1C ZINC001573393039 947954194 /nfs/dbraw/zinc/95/41/94/947954194.db2.gz IRAWHABYYFGRFR-ZANVPECISA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001573393123 947955081 /nfs/dbraw/zinc/95/50/81/947955081.db2.gz JSCLWYZLKLXWHY-OKILXGFUSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001573393123 947955088 /nfs/dbraw/zinc/95/50/88/947955088.db2.gz JSCLWYZLKLXWHY-OKILXGFUSA-N -1 3 384.444 0.310 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573653290 947955536 /nfs/dbraw/zinc/95/55/36/947955536.db2.gz KJHHZUZBHXTFQL-VOJFVSQTSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccs1 ZINC001573653381 947955622 /nfs/dbraw/zinc/95/56/22/947955622.db2.gz LFDDIFGGHGFTDW-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccs1 ZINC001573653381 947955625 /nfs/dbraw/zinc/95/56/25/947955625.db2.gz LFDDIFGGHGFTDW-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573653289 947955741 /nfs/dbraw/zinc/95/57/41/947955741.db2.gz KJHHZUZBHXTFQL-BBATYDOGSA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573393399 947957187 /nfs/dbraw/zinc/95/71/87/947957187.db2.gz LJHHDOBAKDAJNI-UHFFFAOYSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573393399 947957195 /nfs/dbraw/zinc/95/71/95/947957195.db2.gz LJHHDOBAKDAJNI-UHFFFAOYSA-N -1 3 386.460 0.781 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573393566 947958251 /nfs/dbraw/zinc/95/82/51/947958251.db2.gz NOWKOWNHUWBRMI-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573393566 947958256 /nfs/dbraw/zinc/95/82/56/947958256.db2.gz NOWKOWNHUWBRMI-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccs1 ZINC001573653667 947958924 /nfs/dbraw/zinc/95/89/24/947958924.db2.gz NDHZQYZOALGHFD-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccs1 ZINC001573653667 947958932 /nfs/dbraw/zinc/95/89/32/947958932.db2.gz NDHZQYZOALGHFD-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573393610 947958919 /nfs/dbraw/zinc/95/89/19/947958919.db2.gz NXSXMAXMQYPLDB-NSHDSACASA-N -1 3 376.396 0.140 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573393610 947958927 /nfs/dbraw/zinc/95/89/27/947958927.db2.gz NXSXMAXMQYPLDB-NSHDSACASA-N -1 3 376.396 0.140 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001573393648 947959257 /nfs/dbraw/zinc/95/92/57/947959257.db2.gz OSBKGNROHFBAQW-BXKDBHETSA-N -1 3 392.489 0.901 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573393960 947960229 /nfs/dbraw/zinc/96/02/29/947960229.db2.gz RGEFGCMXYWOTHL-SKDRFNHKSA-N -1 3 392.489 0.759 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CCNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573393751 947960535 /nfs/dbraw/zinc/96/05/35/947960535.db2.gz PTRUMLLZPXHLOR-LBPRGKRZSA-N -1 3 392.489 0.760 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573394020 947962528 /nfs/dbraw/zinc/96/25/28/947962528.db2.gz RQNBZNJQJRFNBT-UHFFFAOYSA-N -1 3 378.462 0.513 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573394419 947964029 /nfs/dbraw/zinc/96/40/29/947964029.db2.gz TWEANQFUTCUZDH-RISCZKNCSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573394419 947964036 /nfs/dbraw/zinc/96/40/36/947964036.db2.gz TWEANQFUTCUZDH-RISCZKNCSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573394417 947964093 /nfs/dbraw/zinc/96/40/93/947964093.db2.gz TWEANQFUTCUZDH-BXUZGUMPSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573394417 947964099 /nfs/dbraw/zinc/96/40/99/947964099.db2.gz TWEANQFUTCUZDH-BXUZGUMPSA-N -1 3 386.460 0.697 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573654694 947969935 /nfs/dbraw/zinc/96/99/35/947969935.db2.gz STYMREBRKIGEAO-SKDRFNHKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573654694 947969942 /nfs/dbraw/zinc/96/99/42/947969942.db2.gz STYMREBRKIGEAO-SKDRFNHKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573654703 947971230 /nfs/dbraw/zinc/97/12/30/947971230.db2.gz SWKVGKOORGXQCR-DRZSPHRISA-N -1 3 386.460 0.397 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573654703 947971237 /nfs/dbraw/zinc/97/12/37/947971237.db2.gz SWKVGKOORGXQCR-DRZSPHRISA-N -1 3 386.460 0.397 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573397764 947974347 /nfs/dbraw/zinc/97/43/47/947974347.db2.gz CYZPLPGOLYUDQM-SECBINFHSA-N -1 3 380.840 0.334 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573397764 947974357 /nfs/dbraw/zinc/97/43/57/947974357.db2.gz CYZPLPGOLYUDQM-SECBINFHSA-N -1 3 380.840 0.334 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573655453 947978240 /nfs/dbraw/zinc/97/82/40/947978240.db2.gz XMOWKXVVFIGTTB-WCQYABFASA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573398335 947980341 /nfs/dbraw/zinc/98/03/41/947980341.db2.gz JRVFQSSSUOYAKI-VHSXEESVSA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573398335 947980346 /nfs/dbraw/zinc/98/03/46/947980346.db2.gz JRVFQSSSUOYAKI-VHSXEESVSA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573398368 947980364 /nfs/dbraw/zinc/98/03/64/947980364.db2.gz KIESSFVBCVMCHO-NSHDSACASA-N -1 3 378.462 0.417 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573655797 947981305 /nfs/dbraw/zinc/98/13/05/947981305.db2.gz YYYSOFIGYISTAD-LLVKDONJSA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573398871 947986372 /nfs/dbraw/zinc/98/63/72/947986372.db2.gz QCINLLVNNOLSCM-UHFFFAOYSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573398871 947986378 /nfs/dbraw/zinc/98/63/78/947986378.db2.gz QCINLLVNNOLSCM-UHFFFAOYSA-N -1 3 386.460 0.889 20 0 GCADHM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573656227 947987412 /nfs/dbraw/zinc/98/74/12/947987412.db2.gz DSOSQIFLBAVYEF-GFCCVEGCSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)NC1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573656227 947987418 /nfs/dbraw/zinc/98/74/18/947987418.db2.gz DSOSQIFLBAVYEF-GFCCVEGCSA-N -1 3 382.432 0.590 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1nc(C)ccc1-c1nnn[n-]1)CC(C)C ZINC001573398963 947987765 /nfs/dbraw/zinc/98/77/65/947987765.db2.gz RNFCDTZIBJHSLN-AWEZNQCLSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](CNc1nc(C)ccc1-c1nn[n-]n1)CC(C)C ZINC001573398963 947987772 /nfs/dbraw/zinc/98/77/72/947987772.db2.gz RNFCDTZIBJHSLN-AWEZNQCLSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573399024 947988264 /nfs/dbraw/zinc/98/82/64/947988264.db2.gz RYIUMMPAIQVGNA-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573399024 947988271 /nfs/dbraw/zinc/98/82/71/947988271.db2.gz RYIUMMPAIQVGNA-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001573399323 947991974 /nfs/dbraw/zinc/99/19/74/947991974.db2.gz VKVBFGBQOPCSSB-GOOCMWNKSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001573399323 947991979 /nfs/dbraw/zinc/99/19/79/947991979.db2.gz VKVBFGBQOPCSSB-GOOCMWNKSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573399860 947996714 /nfs/dbraw/zinc/99/67/14/947996714.db2.gz ZVZGVBNMNWPTOK-LLVKDONJSA-N -1 3 389.435 0.421 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573657659 948003797 /nfs/dbraw/zinc/00/37/97/948003797.db2.gz OGBZQDFGHWJXBA-PIGZYNQJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573657659 948003806 /nfs/dbraw/zinc/00/38/06/948003806.db2.gz OGBZQDFGHWJXBA-PIGZYNQJSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C ZINC001573402733 948004316 /nfs/dbraw/zinc/00/43/16/948004316.db2.gz HIPGKAKOXDQTNZ-HNNXBMFYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C ZINC001573402733 948004320 /nfs/dbraw/zinc/00/43/20/948004320.db2.gz HIPGKAKOXDQTNZ-HNNXBMFYSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1ccnn1C ZINC001573657820 948005842 /nfs/dbraw/zinc/00/58/42/948005842.db2.gz PECYOADGOJWYRN-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1ccnn1C ZINC001573657820 948005847 /nfs/dbraw/zinc/00/58/47/948005847.db2.gz PECYOADGOJWYRN-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cccnc1 ZINC001573658111 948006519 /nfs/dbraw/zinc/00/65/19/948006519.db2.gz QKZPQFALCXXICO-LLVKDONJSA-N -1 3 380.412 0.772 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cccnc1 ZINC001573658111 948006531 /nfs/dbraw/zinc/00/65/31/948006531.db2.gz QKZPQFALCXXICO-LLVKDONJSA-N -1 3 380.412 0.772 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1)C1CC1 ZINC001573658565 948009910 /nfs/dbraw/zinc/00/99/10/948009910.db2.gz SBEXBDYXHDVUKB-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1)C1CC1 ZINC001573658565 948009918 /nfs/dbraw/zinc/00/99/18/948009918.db2.gz SBEXBDYXHDVUKB-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573658694 948011306 /nfs/dbraw/zinc/01/13/06/948011306.db2.gz TUOKPVNMQHQZKD-KPZWWZAWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573658694 948011314 /nfs/dbraw/zinc/01/13/14/948011314.db2.gz TUOKPVNMQHQZKD-KPZWWZAWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)n1cccn1 ZINC001573658947 948012332 /nfs/dbraw/zinc/01/23/32/948012332.db2.gz UGZUBRYRWFKOFG-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)n1cccn1 ZINC001573658947 948012340 /nfs/dbraw/zinc/01/23/40/948012340.db2.gz UGZUBRYRWFKOFG-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573403693 948013356 /nfs/dbraw/zinc/01/33/56/948013356.db2.gz NKYQKQWGBVXYGR-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573403693 948013359 /nfs/dbraw/zinc/01/33/59/948013359.db2.gz NKYQKQWGBVXYGR-GXTWGEPZSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573403823 948013516 /nfs/dbraw/zinc/01/35/16/948013516.db2.gz OPLVRMMWSIUHQS-ZFWWWQNUSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573403823 948013525 /nfs/dbraw/zinc/01/35/25/948013525.db2.gz OPLVRMMWSIUHQS-ZFWWWQNUSA-N -1 3 386.460 0.827 20 0 GCADHM Cc1onc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826344897 948017313 /nfs/dbraw/zinc/01/73/13/948017313.db2.gz WARCNNBUHOFWSN-CYBMUJFWSA-N -1 3 375.433 0.419 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573404343 948021491 /nfs/dbraw/zinc/02/14/91/948021491.db2.gz SEAQXHSJLCGVLF-GXFFZTMASA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573404343 948021501 /nfs/dbraw/zinc/02/15/01/948021501.db2.gz SEAQXHSJLCGVLF-GXFFZTMASA-N -1 3 390.423 0.353 20 0 GCADHM C[C@H](C(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573662037 948023836 /nfs/dbraw/zinc/02/38/36/948023836.db2.gz BAGWOSAQXNMODL-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573662037 948023849 /nfs/dbraw/zinc/02/38/49/948023849.db2.gz BAGWOSAQXNMODL-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)NCCCN(c1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573404418 948023925 /nfs/dbraw/zinc/02/39/25/948023925.db2.gz DKCYYUWLEZGJJO-UHFFFAOYSA-N -1 3 392.489 0.585 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573404459 948024809 /nfs/dbraw/zinc/02/48/09/948024809.db2.gz FMUSJAMAXXFVMF-VIFPVBQESA-N -1 3 380.840 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573404459 948024816 /nfs/dbraw/zinc/02/48/16/948024816.db2.gz FMUSJAMAXXFVMF-VIFPVBQESA-N -1 3 380.840 0.700 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573662340 948025896 /nfs/dbraw/zinc/02/58/96/948025896.db2.gz BQQOFIMNGVOVHR-JWFUOXDNSA-N -1 3 384.444 0.197 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404531 948027335 /nfs/dbraw/zinc/02/73/35/948027335.db2.gz UGSNLGHFINMYFM-NWDGAFQWSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573404634 948028524 /nfs/dbraw/zinc/02/85/24/948028524.db2.gz HVYMBLSXOYHIPS-CQSZACIVSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573404634 948028532 /nfs/dbraw/zinc/02/85/32/948028532.db2.gz HVYMBLSXOYHIPS-CQSZACIVSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573404861 948033582 /nfs/dbraw/zinc/03/35/82/948033582.db2.gz XCLGXLUDOIWLNT-DGCLKSJQSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@H](C)C1 ZINC001573404861 948033587 /nfs/dbraw/zinc/03/35/87/948033587.db2.gz XCLGXLUDOIWLNT-DGCLKSJQSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573404823 948033790 /nfs/dbraw/zinc/03/37/90/948033790.db2.gz WTOWQXXAIFZTJH-DZGCQCFKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573404823 948033797 /nfs/dbraw/zinc/03/37/97/948033797.db2.gz WTOWQXXAIFZTJH-DZGCQCFKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573404847 948034002 /nfs/dbraw/zinc/03/40/02/948034002.db2.gz WYFGHVBAMHQZCW-CYBMUJFWSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573404847 948034009 /nfs/dbraw/zinc/03/40/09/948034009.db2.gz WYFGHVBAMHQZCW-CYBMUJFWSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404819 948034149 /nfs/dbraw/zinc/03/41/49/948034149.db2.gz WRJOLRLVYFTWTD-LLVKDONJSA-N -1 3 378.462 0.195 20 0 GCADHM Cc1onc(CC(=O)NC2CCN(Cc3ccncc3)CC2)c1-c1nnn[n-]1 ZINC000826346091 948035226 /nfs/dbraw/zinc/03/52/26/948035226.db2.gz CBJBCEKPQKGIRE-UHFFFAOYSA-N -1 3 382.428 0.881 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573404987 948037234 /nfs/dbraw/zinc/03/72/34/948037234.db2.gz MVIRHBNBOQFUHV-UHFFFAOYSA-N -1 3 375.408 0.032 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)C(=O)NC1CC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573663509 948037727 /nfs/dbraw/zinc/03/77/27/948037727.db2.gz NCFFSUZEFKJUAT-GFCCVEGCSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)C(=O)NC1CC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573663509 948037735 /nfs/dbraw/zinc/03/77/35/948037735.db2.gz NCFFSUZEFKJUAT-GFCCVEGCSA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573405140 948037812 /nfs/dbraw/zinc/03/78/12/948037812.db2.gz YWGQKDHWNZVUNF-DZGCQCFKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573405140 948037820 /nfs/dbraw/zinc/03/78/20/948037820.db2.gz YWGQKDHWNZVUNF-DZGCQCFKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)NCCCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573405577 948044267 /nfs/dbraw/zinc/04/42/67/948044267.db2.gz UGDDSYQSSPBPBX-UHFFFAOYSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CC(=O)NCCCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573405577 948044275 /nfs/dbraw/zinc/04/42/75/948044275.db2.gz UGDDSYQSSPBPBX-UHFFFAOYSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573405455 948045179 /nfs/dbraw/zinc/04/51/79/948045179.db2.gz QWKACJJFIMFBDS-GFCCVEGCSA-N -1 3 375.408 0.427 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573405455 948045188 /nfs/dbraw/zinc/04/51/88/948045188.db2.gz QWKACJJFIMFBDS-GFCCVEGCSA-N -1 3 375.408 0.427 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)[C@@H]1C ZINC001573406539 948053384 /nfs/dbraw/zinc/05/33/84/948053384.db2.gz JXJWISLWGBDFKL-KOLCDFICSA-N -1 3 378.462 0.193 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573406792 948058045 /nfs/dbraw/zinc/05/80/45/948058045.db2.gz UCXPFXHHWUPAMW-HDJSIYSDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573406792 948058055 /nfs/dbraw/zinc/05/80/55/948058055.db2.gz UCXPFXHHWUPAMW-HDJSIYSDSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](C(=O)NC1CCCCC1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573664559 948058515 /nfs/dbraw/zinc/05/85/15/948058515.db2.gz FQTMWHXOPNKHRX-NSHDSACASA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CCCCC1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573664559 948058525 /nfs/dbraw/zinc/05/85/25/948058525.db2.gz FQTMWHXOPNKHRX-NSHDSACASA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573406777 948058601 /nfs/dbraw/zinc/05/86/01/948058601.db2.gz SCWZXFKHDHDONG-HDJSIYSDSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573406777 948058608 /nfs/dbraw/zinc/05/86/08/948058608.db2.gz SCWZXFKHDHDONG-HDJSIYSDSA-N -1 3 386.460 0.888 20 0 GCADHM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573664998 948066032 /nfs/dbraw/zinc/06/60/32/948066032.db2.gz ZPOOYCKPQZBRGD-GRZMOONWSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573664998 948066042 /nfs/dbraw/zinc/06/60/42/948066042.db2.gz ZPOOYCKPQZBRGD-GRZMOONWSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573408491 948067870 /nfs/dbraw/zinc/06/78/70/948067870.db2.gz HQRPVGSTEZSSBN-NSHDSACASA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573408491 948067875 /nfs/dbraw/zinc/06/78/75/948067875.db2.gz HQRPVGSTEZSSBN-NSHDSACASA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)c1ccc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001573409017 948073047 /nfs/dbraw/zinc/07/30/47/948073047.db2.gz PURMYPHQLIPHND-UHFFFAOYSA-N -1 3 396.415 0.873 20 0 GCADHM CC(=O)N(C)c1ccc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001573409017 948073056 /nfs/dbraw/zinc/07/30/56/948073056.db2.gz PURMYPHQLIPHND-UHFFFAOYSA-N -1 3 396.415 0.873 20 0 GCADHM CC(=O)N(C)CCCC(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573409460 948074379 /nfs/dbraw/zinc/07/43/79/948074379.db2.gz RZGKRGKROUBNRC-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CCCC(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573409460 948074390 /nfs/dbraw/zinc/07/43/90/948074390.db2.gz RZGKRGKROUBNRC-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573409651 948075830 /nfs/dbraw/zinc/07/58/30/948075830.db2.gz VCJKPWXKDCCURG-GHMZBOCLSA-N -1 3 390.448 0.076 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573409651 948075840 /nfs/dbraw/zinc/07/58/40/948075840.db2.gz VCJKPWXKDCCURG-GHMZBOCLSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573665807 948077533 /nfs/dbraw/zinc/07/75/33/948077533.db2.gz NGCCTFAYQHUILM-LLVKDONJSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573665807 948077542 /nfs/dbraw/zinc/07/75/42/948077542.db2.gz NGCCTFAYQHUILM-LLVKDONJSA-N -1 3 386.460 0.398 20 0 GCADHM CC(=O)N(C)CCCC(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573409862 948078282 /nfs/dbraw/zinc/07/82/82/948078282.db2.gz XMOFUGYULIXGKO-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CCCC(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573409862 948078294 /nfs/dbraw/zinc/07/82/94/948078294.db2.gz XMOFUGYULIXGKO-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573666173 948081165 /nfs/dbraw/zinc/08/11/65/948081165.db2.gz PWQPTSLGUGFJMK-PWSUYJOCSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573666173 948081173 /nfs/dbraw/zinc/08/11/73/948081173.db2.gz PWQPTSLGUGFJMK-PWSUYJOCSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573666390 948083997 /nfs/dbraw/zinc/08/39/97/948083997.db2.gz SFNALYAHVCLZHC-GFCCVEGCSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573666390 948084007 /nfs/dbraw/zinc/08/40/07/948084007.db2.gz SFNALYAHVCLZHC-GFCCVEGCSA-N -1 3 388.476 0.646 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001573414185 948091105 /nfs/dbraw/zinc/09/11/05/948091105.db2.gz KPNGJFNAIGMLQS-CQSZACIVSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001573414185 948091113 /nfs/dbraw/zinc/09/11/13/948091113.db2.gz KPNGJFNAIGMLQS-CQSZACIVSA-N -1 3 384.444 0.451 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(C)(Nc3ncccc3-c3nnn[n-]3)CC2)C1 ZINC001573414243 948092113 /nfs/dbraw/zinc/09/21/13/948092113.db2.gz LHASBGLWNSGBDX-UHFFFAOYSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(C)(Nc3ncccc3-c3nn[n-]n3)CC2)C1 ZINC001573414243 948092120 /nfs/dbraw/zinc/09/21/20/948092120.db2.gz LHASBGLWNSGBDX-UHFFFAOYSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573666801 948092365 /nfs/dbraw/zinc/09/23/65/948092365.db2.gz WGCASVMDDYGVIQ-WFASDCNBSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573666799 948092773 /nfs/dbraw/zinc/09/27/73/948092773.db2.gz WGCASVMDDYGVIQ-IUODEOHRSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573414445 948093386 /nfs/dbraw/zinc/09/33/86/948093386.db2.gz MNBDHLAHNJNVOH-CYBMUJFWSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573414445 948093390 /nfs/dbraw/zinc/09/33/90/948093390.db2.gz MNBDHLAHNJNVOH-CYBMUJFWSA-N -1 3 384.444 0.391 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573666883 948093780 /nfs/dbraw/zinc/09/37/80/948093780.db2.gz XGJCNFAEIUNMHN-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573666883 948093789 /nfs/dbraw/zinc/09/37/89/948093789.db2.gz XGJCNFAEIUNMHN-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573667131 948093876 /nfs/dbraw/zinc/09/38/76/948093876.db2.gz YCKGFLBNAZETEY-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573667131 948093886 /nfs/dbraw/zinc/09/38/86/948093886.db2.gz YCKGFLBNAZETEY-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573414314 948093859 /nfs/dbraw/zinc/09/38/59/948093859.db2.gz KGNOLVWUGCQDOG-VIFPVBQESA-N -1 3 392.851 0.652 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573414314 948093868 /nfs/dbraw/zinc/09/38/68/948093868.db2.gz KGNOLVWUGCQDOG-VIFPVBQESA-N -1 3 392.851 0.652 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573667129 948094150 /nfs/dbraw/zinc/09/41/50/948094150.db2.gz YCKGFLBNAZETEY-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573667129 948094159 /nfs/dbraw/zinc/09/41/59/948094159.db2.gz YCKGFLBNAZETEY-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3cccc(F)c3-c3nnn[n-]3)[C@@H](C)C2)C1 ZINC001573414510 948095986 /nfs/dbraw/zinc/09/59/86/948095986.db2.gz NJIWFOLKSLKRBN-BONVTDFDSA-N -1 3 387.419 0.743 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)[C@@H](C)C2)C1 ZINC001573414510 948095996 /nfs/dbraw/zinc/09/59/96/948095996.db2.gz NJIWFOLKSLKRBN-BONVTDFDSA-N -1 3 387.419 0.743 20 0 GCADHM Cc1sc(NC(=O)CN(C)CC(=O)N2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000826349838 948096488 /nfs/dbraw/zinc/09/64/88/948096488.db2.gz WJGFVDOTCLIULM-UHFFFAOYSA-N -1 3 393.473 0.274 20 0 GCADHM Cc1sc(NC(=O)CN(C)CC(=O)N2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000826349838 948096496 /nfs/dbraw/zinc/09/64/96/948096496.db2.gz WJGFVDOTCLIULM-UHFFFAOYSA-N -1 3 393.473 0.274 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)C1 ZINC001573414841 948099097 /nfs/dbraw/zinc/09/90/97/948099097.db2.gz QRKZSZOGGNYSIS-RISCZKNCSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@H]2C)C1 ZINC001573414841 948099107 /nfs/dbraw/zinc/09/91/07/948099107.db2.gz QRKZSZOGGNYSIS-RISCZKNCSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccc1 ZINC001573667412 948099600 /nfs/dbraw/zinc/09/96/00/948099600.db2.gz ZHWCIYPHOZZIAR-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccc1 ZINC001573667412 948099607 /nfs/dbraw/zinc/09/96/07/948099607.db2.gz ZHWCIYPHOZZIAR-LBPRGKRZSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)[C@@H](C)C2)C1 ZINC001573414786 948100263 /nfs/dbraw/zinc/10/02/63/948100263.db2.gz OXTMMSNGDGZEQW-XPTSAGLGSA-N -1 3 388.407 0.138 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)[C@@H](C)C2)C1 ZINC001573414786 948100270 /nfs/dbraw/zinc/10/02/70/948100270.db2.gz OXTMMSNGDGZEQW-XPTSAGLGSA-N -1 3 388.407 0.138 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CNc3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573414899 948101300 /nfs/dbraw/zinc/10/13/00/948101300.db2.gz RMSKXBMENMLHRX-CYBMUJFWSA-N -1 3 384.444 0.309 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CNc3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573414899 948101303 /nfs/dbraw/zinc/10/13/03/948101303.db2.gz RMSKXBMENMLHRX-CYBMUJFWSA-N -1 3 384.444 0.309 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(Nc3cccc(F)c3-c3nnn[n-]3)CC2)C1 ZINC001573415324 948105076 /nfs/dbraw/zinc/10/50/76/948105076.db2.gz XKOGJQUWNHBDAJ-UHFFFAOYSA-N -1 3 387.419 0.887 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(Nc3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC001573415324 948105080 /nfs/dbraw/zinc/10/50/80/948105080.db2.gz XKOGJQUWNHBDAJ-UHFFFAOYSA-N -1 3 387.419 0.887 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573417738 948112091 /nfs/dbraw/zinc/11/20/91/948112091.db2.gz ALMNKDAKPBOBAC-VIFPVBQESA-N -1 3 376.396 0.043 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573417738 948112096 /nfs/dbraw/zinc/11/20/96/948112096.db2.gz ALMNKDAKPBOBAC-VIFPVBQESA-N -1 3 376.396 0.043 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573673388 948113485 /nfs/dbraw/zinc/11/34/85/948113485.db2.gz KVJISDCBZQKZGN-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573673388 948113491 /nfs/dbraw/zinc/11/34/91/948113491.db2.gz KVJISDCBZQKZGN-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)CN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573418649 948119573 /nfs/dbraw/zinc/11/95/73/948119573.db2.gz HVUKLSCDAVIYPQ-SNVBAGLBSA-N -1 3 375.408 0.425 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)CN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573418649 948119575 /nfs/dbraw/zinc/11/95/75/948119575.db2.gz HVUKLSCDAVIYPQ-SNVBAGLBSA-N -1 3 375.408 0.425 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573418616 948119987 /nfs/dbraw/zinc/11/99/87/948119987.db2.gz HMIIIYQFHUWCEY-SWLSCSKDSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573418616 948119993 /nfs/dbraw/zinc/11/99/93/948119993.db2.gz HMIIIYQFHUWCEY-SWLSCSKDSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C2CC2)C1 ZINC001573419061 948121411 /nfs/dbraw/zinc/12/14/11/948121411.db2.gz JOFGVLUTTRUPJE-SFHVURJKSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C2CC2)C1 ZINC001573419061 948121418 /nfs/dbraw/zinc/12/14/18/948121418.db2.gz JOFGVLUTTRUPJE-SFHVURJKSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCCO1 ZINC001573675850 948122789 /nfs/dbraw/zinc/12/27/89/948122789.db2.gz QMLBRNSKHHZGGF-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCCO1 ZINC001573675850 948122795 /nfs/dbraw/zinc/12/27/95/948122795.db2.gz QMLBRNSKHHZGGF-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573419376 948123647 /nfs/dbraw/zinc/12/36/47/948123647.db2.gz LPYFOQXPXUYRAE-QWRGUYRKSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573419376 948123651 /nfs/dbraw/zinc/12/36/51/948123651.db2.gz LPYFOQXPXUYRAE-QWRGUYRKSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C)N(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573419608 948124618 /nfs/dbraw/zinc/12/46/18/948124618.db2.gz NNARWTDHGAEVST-RISCZKNCSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@@H](C)N(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573419608 948124624 /nfs/dbraw/zinc/12/46/24/948124624.db2.gz NNARWTDHGAEVST-RISCZKNCSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](C)N(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573419607 948125087 /nfs/dbraw/zinc/12/50/87/948125087.db2.gz NNARWTDHGAEVST-FZMZJTMJSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CC[C@H](C)N(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573419607 948125092 /nfs/dbraw/zinc/12/50/92/948125092.db2.gz NNARWTDHGAEVST-FZMZJTMJSA-N -1 3 384.444 0.214 20 0 GCADHM Cn1cc(CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)nn1 ZINC000826361162 948129893 /nfs/dbraw/zinc/12/98/93/948129893.db2.gz NSQINKGYJFYQIH-UHFFFAOYSA-N -1 3 386.395 0.166 20 0 GCADHM Cn1cc(CN2CCCS(=O)(=O)CC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361455 948130858 /nfs/dbraw/zinc/13/08/58/948130858.db2.gz XTMCRCXMNSVWCR-UHFFFAOYSA-N -1 3 387.469 0.888 20 0 GCADHM Cn1cc(CN2CCCS(=O)(=O)CC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361455 948130861 /nfs/dbraw/zinc/13/08/61/948130861.db2.gz XTMCRCXMNSVWCR-UHFFFAOYSA-N -1 3 387.469 0.888 20 0 GCADHM Cn1cc(CNC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)nn1 ZINC000826361374 948131773 /nfs/dbraw/zinc/13/17/73/948131773.db2.gz VGJQFADIDBTOIR-UHFFFAOYSA-N -1 3 383.351 0.642 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@]2(C)CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573419929 948133078 /nfs/dbraw/zinc/13/30/78/948133078.db2.gz VWLHJWOCMWMCIN-GOSISDBHSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@]2(C)CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573419929 948133082 /nfs/dbraw/zinc/13/30/82/948133082.db2.gz VWLHJWOCMWMCIN-GOSISDBHSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)[C@@H]2C)C1 ZINC001573419980 948133397 /nfs/dbraw/zinc/13/33/97/948133397.db2.gz XETOXVLOJUMNQN-IAQYHMDHSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)[C@@H]2C)C1 ZINC001573419980 948133402 /nfs/dbraw/zinc/13/34/02/948133402.db2.gz XETOXVLOJUMNQN-IAQYHMDHSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)[C@H](C)C2)C1 ZINC001573420233 948134779 /nfs/dbraw/zinc/13/47/79/948134779.db2.gz 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Cn1cccc(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1=O ZINC000826363515 948138697 /nfs/dbraw/zinc/13/86/97/948138697.db2.gz PYMDCIRQWZHTBU-HNNXBMFYSA-N -1 3 394.391 0.918 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN2Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573422184 948139610 /nfs/dbraw/zinc/13/96/10/948139610.db2.gz HXCQNRFFMLDDCP-OAHLLOKOSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN2Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573422184 948139620 /nfs/dbraw/zinc/13/96/20/948139620.db2.gz HXCQNRFFMLDDCP-OAHLLOKOSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2C[C@@H](Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573422209 948140456 /nfs/dbraw/zinc/14/04/56/948140456.db2.gz IQCZEGMVFMTDPF-KLPPZKSPSA-N -1 3 390.473 0.417 20 0 GCADHM CC(=O)N1C[C@@H](C(=O)NCc2cncc(-c3nnn[n-]3)c2)Oc2ccccc21 ZINC001573422203 948140644 /nfs/dbraw/zinc/14/06/44/948140644.db2.gz IKRFEQSSPXYOGI-INIZCTEOSA-N -1 3 379.380 0.692 20 0 GCADHM CC(=O)N1C[C@@H](C(=O)NCc2cncc(-c3nn[n-]n3)c2)Oc2ccccc21 ZINC001573422203 948140650 /nfs/dbraw/zinc/14/06/50/948140650.db2.gz IKRFEQSSPXYOGI-INIZCTEOSA-N -1 3 379.380 0.692 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN2Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573422205 948140737 /nfs/dbraw/zinc/14/07/37/948140737.db2.gz IOPWFSMUNLKZTP-AWEZNQCLSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN2Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573422205 948140741 /nfs/dbraw/zinc/14/07/41/948140741.db2.gz IOPWFSMUNLKZTP-AWEZNQCLSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573422271 948141281 /nfs/dbraw/zinc/14/12/81/948141281.db2.gz JLHRCFHIKAMKGB-SECBINFHSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573422271 948141287 /nfs/dbraw/zinc/14/12/87/948141287.db2.gz JLHRCFHIKAMKGB-SECBINFHSA-N -1 3 392.851 0.700 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000826364497 948142273 /nfs/dbraw/zinc/14/22/73/948142273.db2.gz XXADTMVIOMCNIM-OAHLLOKOSA-N -1 3 394.439 0.450 20 0 GCADHM Cn1ccnc1CN1CCC[C@@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000826364497 948142279 /nfs/dbraw/zinc/14/22/79/948142279.db2.gz XXADTMVIOMCNIM-OAHLLOKOSA-N -1 3 394.439 0.450 20 0 GCADHM Cn1ncc2c1nc(CN1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)[nH]c2=O ZINC000826366522 948143285 /nfs/dbraw/zinc/14/32/85/948143285.db2.gz MFTUZTGANUXHSS-CQSZACIVSA-N -1 3 393.411 0.823 20 0 GCADHM Cn1ncc2c1nc(CN1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)[nH]c2=O ZINC000826366522 948143293 /nfs/dbraw/zinc/14/32/93/948143293.db2.gz MFTUZTGANUXHSS-CQSZACIVSA-N -1 3 393.411 0.823 20 0 GCADHM Cn1cnn(CC(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)c1=O ZINC000826365203 948143611 /nfs/dbraw/zinc/14/36/11/948143611.db2.gz FPBQARCZJLEPJX-UHFFFAOYSA-N -1 3 383.397 0.524 20 0 GCADHM Cn1cnn(CC(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)c1=O ZINC000826365203 948143619 /nfs/dbraw/zinc/14/36/19/948143619.db2.gz FPBQARCZJLEPJX-UHFFFAOYSA-N -1 3 383.397 0.524 20 0 GCADHM C[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1)C1CC1 ZINC001573677842 948143625 /nfs/dbraw/zinc/14/36/25/948143625.db2.gz FQFDURVODUAIIP-JQWIXIFHSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1)C1CC1 ZINC001573677842 948143630 /nfs/dbraw/zinc/14/36/30/948143630.db2.gz FQFDURVODUAIIP-JQWIXIFHSA-N -1 3 385.428 0.341 20 0 GCADHM CC(=O)N1CC(C(=O)NCCN(C)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573423929 948145340 /nfs/dbraw/zinc/14/53/40/948145340.db2.gz RIWYDBVLGUNPTK-UHFFFAOYSA-N -1 3 375.408 0.032 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573423335 948146043 /nfs/dbraw/zinc/14/60/43/948146043.db2.gz OVATYEFPGRFAAI-CYBMUJFWSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573423335 948146051 /nfs/dbraw/zinc/14/60/51/948146051.db2.gz OVATYEFPGRFAAI-CYBMUJFWSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573423718 948146331 /nfs/dbraw/zinc/14/63/31/948146331.db2.gz OWYWIEIJTDGGFQ-ZDUSSCGKSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573423718 948146336 /nfs/dbraw/zinc/14/63/36/948146336.db2.gz OWYWIEIJTDGGFQ-ZDUSSCGKSA-N -1 3 384.444 0.073 20 0 GCADHM Cn1nnnc1-c1cccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826367268 948146350 /nfs/dbraw/zinc/14/63/50/948146350.db2.gz RSQLFDVTXNVQHT-AWEZNQCLSA-N -1 3 377.368 0.729 20 0 GCADHM Cn1nnnc1-c1cccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826367268 948146354 /nfs/dbraw/zinc/14/63/54/948146354.db2.gz RSQLFDVTXNVQHT-AWEZNQCLSA-N -1 3 377.368 0.729 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN2Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573424383 948149674 /nfs/dbraw/zinc/14/96/74/948149674.db2.gz ZHEUCLVOOFKLGC-OAHLLOKOSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN2Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573424383 948149678 /nfs/dbraw/zinc/14/96/78/948149678.db2.gz ZHEUCLVOOFKLGC-OAHLLOKOSA-N -1 3 387.419 0.175 20 0 GCADHM C[C@H](C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccn1 ZINC001573678417 948151473 /nfs/dbraw/zinc/15/14/73/948151473.db2.gz DRDNMNUUEOYDOS-QMTHXVAHSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccn1 ZINC001573678417 948151484 /nfs/dbraw/zinc/15/14/84/948151484.db2.gz DRDNMNUUEOYDOS-QMTHXVAHSA-N -1 3 383.416 0.277 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](CNc3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573425932 948153078 /nfs/dbraw/zinc/15/30/78/948153078.db2.gz FPUQTGFDZLKGLN-AULYBMBSSA-N -1 3 387.419 0.791 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](CNc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573425932 948153085 /nfs/dbraw/zinc/15/30/85/948153085.db2.gz FPUQTGFDZLKGLN-AULYBMBSSA-N -1 3 387.419 0.791 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cccnc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573678803 948154590 /nfs/dbraw/zinc/15/45/90/948154590.db2.gz JBKQGKWMSSEUGB-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)c1cccnc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573678803 948154596 /nfs/dbraw/zinc/15/45/96/948154596.db2.gz JBKQGKWMSSEUGB-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1)C1CC1 ZINC001573679875 948167819 /nfs/dbraw/zinc/16/78/19/948167819.db2.gz NAOCWUIAXVHWQC-MFKMUULPSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1)C1CC1 ZINC001573679875 948167823 /nfs/dbraw/zinc/16/78/23/948167823.db2.gz NAOCWUIAXVHWQC-MFKMUULPSA-N -1 3 385.428 0.341 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573428954 948168389 /nfs/dbraw/zinc/16/83/89/948168389.db2.gz FDGAICCEAMAUNW-LLVKDONJSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573428954 948168393 /nfs/dbraw/zinc/16/83/93/948168393.db2.gz FDGAICCEAMAUNW-LLVKDONJSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573429363 948169391 /nfs/dbraw/zinc/16/93/91/948169391.db2.gz HKXRUUQNAACHOW-LBPRGKRZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573429363 948169395 /nfs/dbraw/zinc/16/93/95/948169395.db2.gz HKXRUUQNAACHOW-LBPRGKRZSA-N -1 3 386.460 0.684 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573679960 948170033 /nfs/dbraw/zinc/17/00/33/948170033.db2.gz NNHSCANWUGINPA-GWCFXTLKSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573679960 948170040 /nfs/dbraw/zinc/17/00/40/948170040.db2.gz NNHSCANWUGINPA-GWCFXTLKSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001573429361 948170276 /nfs/dbraw/zinc/17/02/76/948170276.db2.gz HJBNXTCKWVDNGF-OAHLLOKOSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573429361 948170283 /nfs/dbraw/zinc/17/02/83/948170283.db2.gz HJBNXTCKWVDNGF-OAHLLOKOSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001573429327 948170327 /nfs/dbraw/zinc/17/03/27/948170327.db2.gz HEJNKUOMVRUHQN-OAHLLOKOSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573429327 948170332 /nfs/dbraw/zinc/17/03/32/948170332.db2.gz HEJNKUOMVRUHQN-OAHLLOKOSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573679985 948171509 /nfs/dbraw/zinc/17/15/09/948171509.db2.gz NTLGDHXDAGEYCJ-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573679985 948171514 /nfs/dbraw/zinc/17/15/14/948171514.db2.gz NTLGDHXDAGEYCJ-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573429409 948171591 /nfs/dbraw/zinc/17/15/91/948171591.db2.gz IMQKFGLZNRPBPU-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573429409 948171594 /nfs/dbraw/zinc/17/15/94/948171594.db2.gz IMQKFGLZNRPBPU-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573429398 948171687 /nfs/dbraw/zinc/17/16/87/948171687.db2.gz IFAAASJNAOUYSL-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573429398 948171692 /nfs/dbraw/zinc/17/16/92/948171692.db2.gz IFAAASJNAOUYSL-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573430101 948174492 /nfs/dbraw/zinc/17/44/92/948174492.db2.gz NUOXATKCSUVMEU-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573430101 948174501 /nfs/dbraw/zinc/17/45/01/948174501.db2.gz NUOXATKCSUVMEU-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573430041 948174718 /nfs/dbraw/zinc/17/47/18/948174718.db2.gz LUTUTPLUSGKIEF-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573430041 948174722 /nfs/dbraw/zinc/17/47/22/948174722.db2.gz LUTUTPLUSGKIEF-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001573430534 948176138 /nfs/dbraw/zinc/17/61/38/948176138.db2.gz QCDMWHMSDQRSKO-OAHLLOKOSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001573430534 948176141 /nfs/dbraw/zinc/17/61/41/948176141.db2.gz QCDMWHMSDQRSKO-OAHLLOKOSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC(C(=O)NC/C=C\CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573430141 948176267 /nfs/dbraw/zinc/17/62/67/948176267.db2.gz OUEWTIAUDZTOHD-IHWYPQMZSA-N -1 3 384.444 0.605 20 0 GCADHM CC(=O)N1CCC(C(=O)NC/C=C\CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573430141 948176269 /nfs/dbraw/zinc/17/62/69/948176269.db2.gz OUEWTIAUDZTOHD-IHWYPQMZSA-N -1 3 384.444 0.605 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573430499 948176436 /nfs/dbraw/zinc/17/64/36/948176436.db2.gz PGEKLUGNEXLKKV-LBPRGKRZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573430499 948176439 /nfs/dbraw/zinc/17/64/39/948176439.db2.gz PGEKLUGNEXLKKV-LBPRGKRZSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573430498 948176572 /nfs/dbraw/zinc/17/65/72/948176572.db2.gz PGEKLUGNEXLKKV-GFCCVEGCSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573430498 948176578 /nfs/dbraw/zinc/17/65/78/948176578.db2.gz PGEKLUGNEXLKKV-GFCCVEGCSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573431002 948177563 /nfs/dbraw/zinc/17/75/63/948177563.db2.gz TYSIIYMBKQLVHQ-RYUDHWBXSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573431002 948177566 /nfs/dbraw/zinc/17/75/66/948177566.db2.gz TYSIIYMBKQLVHQ-RYUDHWBXSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccs1 ZINC001573680425 948177956 /nfs/dbraw/zinc/17/79/56/948177956.db2.gz PWWFBEZCBZILNI-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccs1 ZINC001573680425 948177965 /nfs/dbraw/zinc/17/79/65/948177965.db2.gz PWWFBEZCBZILNI-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573431025 948179494 /nfs/dbraw/zinc/17/94/94/948179494.db2.gz ULLKYBQCXWQPPZ-SNVBAGLBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573431025 948179500 /nfs/dbraw/zinc/17/95/00/948179500.db2.gz ULLKYBQCXWQPPZ-SNVBAGLBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573432128 948185594 /nfs/dbraw/zinc/18/55/94/948185594.db2.gz FBAJGUJXLKHGKL-DEYYWGMASA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573432128 948185601 /nfs/dbraw/zinc/18/56/01/948185601.db2.gz FBAJGUJXLKHGKL-DEYYWGMASA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573432587 948189585 /nfs/dbraw/zinc/18/95/85/948189585.db2.gz HDFMIJDKFPFJLL-KPZWWZAWSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573432587 948189593 /nfs/dbraw/zinc/18/95/93/948189593.db2.gz HDFMIJDKFPFJLL-KPZWWZAWSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573432588 948189814 /nfs/dbraw/zinc/18/98/14/948189814.db2.gz HDFMIJDKFPFJLL-KZULUSFZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573432588 948189817 /nfs/dbraw/zinc/18/98/17/948189817.db2.gz HDFMIJDKFPFJLL-KZULUSFZSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](C(=O)NC[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1)n1cncn1 ZINC001573680873 948189802 /nfs/dbraw/zinc/18/98/02/948189802.db2.gz RDPVXPAMHKLYCX-RNCFNFMXSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@H](C(=O)NC[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1)n1cncn1 ZINC001573680873 948189808 /nfs/dbraw/zinc/18/98/08/948189808.db2.gz RDPVXPAMHKLYCX-RNCFNFMXSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@H](C(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1)n1cncn1 ZINC001573680872 948190389 /nfs/dbraw/zinc/19/03/89/948190389.db2.gz RDPVXPAMHKLYCX-NOZJJQNGSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@H](C(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1)n1cncn1 ZINC001573680872 948190397 /nfs/dbraw/zinc/19/03/97/948190397.db2.gz RDPVXPAMHKLYCX-NOZJJQNGSA-N -1 3 386.395 0.560 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573432926 948195537 /nfs/dbraw/zinc/19/55/37/948195537.db2.gz ITRKTYDQPAVSPY-FHSNZYRGSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573432926 948195543 /nfs/dbraw/zinc/19/55/43/948195543.db2.gz ITRKTYDQPAVSPY-FHSNZYRGSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C)n1cncn1 ZINC001573681225 948197220 /nfs/dbraw/zinc/19/72/20/948197220.db2.gz VRUSKEKSLTYQCR-SMDDNHRTSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C)n1cncn1 ZINC001573681225 948197227 /nfs/dbraw/zinc/19/72/27/948197227.db2.gz VRUSKEKSLTYQCR-SMDDNHRTSA-N -1 3 382.432 0.445 20 0 GCADHM CC(=O)N1CCC([C@@H]2OCCC[C@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573433101 948197649 /nfs/dbraw/zinc/19/76/49/948197649.db2.gz JDRHQXDVPOIYJL-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC([C@@H]2OCCC[C@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573433101 948197655 /nfs/dbraw/zinc/19/76/55/948197655.db2.gz JDRHQXDVPOIYJL-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826391959 948197829 /nfs/dbraw/zinc/19/78/29/948197829.db2.gz IVMCKVIQWVRTOY-ZDUSSCGKSA-N -1 3 381.400 0.416 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826391959 948197834 /nfs/dbraw/zinc/19/78/34/948197834.db2.gz IVMCKVIQWVRTOY-ZDUSSCGKSA-N -1 3 381.400 0.416 20 0 GCADHM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C)n1cncn1 ZINC001573681223 948197846 /nfs/dbraw/zinc/19/78/46/948197846.db2.gz VRUSKEKSLTYQCR-RISCZKNCSA-N -1 3 382.432 0.445 20 0 GCADHM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C)n1cncn1 ZINC001573681223 948197849 /nfs/dbraw/zinc/19/78/49/948197849.db2.gz VRUSKEKSLTYQCR-RISCZKNCSA-N -1 3 382.432 0.445 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573433352 948199189 /nfs/dbraw/zinc/19/91/89/948199189.db2.gz KBTPZWXPFVEJBM-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573433352 948199197 /nfs/dbraw/zinc/19/91/97/948199197.db2.gz KBTPZWXPFVEJBM-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573433392 948199691 /nfs/dbraw/zinc/19/96/91/948199691.db2.gz KNIDQPUOQWMDEB-SGTLLEGYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573433392 948199697 /nfs/dbraw/zinc/19/96/97/948199697.db2.gz KNIDQPUOQWMDEB-SGTLLEGYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC(CO[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001573433582 948203666 /nfs/dbraw/zinc/20/36/66/948203666.db2.gz MIWKTKUFZPWRTM-HNNXBMFYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CCC(CO[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001573433582 948203673 /nfs/dbraw/zinc/20/36/73/948203673.db2.gz MIWKTKUFZPWRTM-HNNXBMFYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1)S(C)(=O)=O ZINC001573681431 948204624 /nfs/dbraw/zinc/20/46/24/948204624.db2.gz VPZQFDYQFFBZNO-NOZJJQNGSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1)S(C)(=O)=O ZINC001573681431 948204626 /nfs/dbraw/zinc/20/46/26/948204626.db2.gz VPZQFDYQFFBZNO-NOZJJQNGSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1)C1CC1 ZINC001573681671 948210379 /nfs/dbraw/zinc/21/03/79/948210379.db2.gz YRVWSAYKGKVIJL-ZWNOBZJWSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N[C@H]1COC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1)C1CC1 ZINC001573681671 948210386 /nfs/dbraw/zinc/21/03/86/948210386.db2.gz YRVWSAYKGKVIJL-ZWNOBZJWSA-N -1 3 385.428 0.341 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573434325 948214016 /nfs/dbraw/zinc/21/40/16/948214016.db2.gz QINDLHOXCGUIEH-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573434325 948214020 /nfs/dbraw/zinc/21/40/20/948214020.db2.gz QINDLHOXCGUIEH-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl)n1cccc1 ZINC001573681912 948217604 /nfs/dbraw/zinc/21/76/04/948217604.db2.gz YXYSNLMLOMPPOT-CMPLNLGQSA-N -1 3 390.835 0.867 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl)n1cccc1 ZINC001573681912 948217614 /nfs/dbraw/zinc/21/76/14/948217614.db2.gz YXYSNLMLOMPPOT-CMPLNLGQSA-N -1 3 390.835 0.867 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)CCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573434930 948222714 /nfs/dbraw/zinc/22/27/14/948222714.db2.gz SSAKBWBJHJNBEL-SFHVURJKSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573434930 948222723 /nfs/dbraw/zinc/22/27/23/948222723.db2.gz SSAKBWBJHJNBEL-SFHVURJKSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573434937 948222771 /nfs/dbraw/zinc/22/27/71/948222771.db2.gz SXNQBBWKNHWJRF-KBXCAEBGSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573434937 948222781 /nfs/dbraw/zinc/22/27/81/948222781.db2.gz SXNQBBWKNHWJRF-KBXCAEBGSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573690563 948225457 /nfs/dbraw/zinc/22/54/57/948225457.db2.gz DPPXOOGANCBSPH-ZYHUDNBSSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573690563 948225464 /nfs/dbraw/zinc/22/54/64/948225464.db2.gz DPPXOOGANCBSPH-ZYHUDNBSSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)[C@H]1CCCO1 ZINC001573690754 948226931 /nfs/dbraw/zinc/22/69/31/948226931.db2.gz ATAGCPIFDHPPIG-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)[C@H]1CCCO1 ZINC001573690754 948226941 /nfs/dbraw/zinc/22/69/41/948226941.db2.gz ATAGCPIFDHPPIG-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCCC1)n1cncn1 ZINC001573690785 948229255 /nfs/dbraw/zinc/22/92/55/948229255.db2.gz BFZKNOGHRCQEMI-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCCC1)n1cncn1 ZINC001573690785 948229266 /nfs/dbraw/zinc/22/92/66/948229266.db2.gz BFZKNOGHRCQEMI-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573690793 948229530 /nfs/dbraw/zinc/22/95/30/948229530.db2.gz FPKQIWNOYBCROO-FZMZJTMJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573690793 948229540 /nfs/dbraw/zinc/22/95/40/948229540.db2.gz FPKQIWNOYBCROO-FZMZJTMJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573690882 948232057 /nfs/dbraw/zinc/23/20/57/948232057.db2.gz GDQSDQRZNHUZCD-SVRRBLITSA-N -1 3 377.302 0.488 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573690882 948232065 /nfs/dbraw/zinc/23/20/65/948232065.db2.gz GDQSDQRZNHUZCD-SVRRBLITSA-N -1 3 377.302 0.488 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573435698 948232338 /nfs/dbraw/zinc/23/23/38/948232338.db2.gz ZPIYJYRYZUSYFT-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573435698 948232349 /nfs/dbraw/zinc/23/23/49/948232349.db2.gz ZPIYJYRYZUSYFT-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573435668 948233412 /nfs/dbraw/zinc/23/34/12/948233412.db2.gz ZAEAVYANRLVHPP-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573435668 948233418 /nfs/dbraw/zinc/23/34/18/948233418.db2.gz ZAEAVYANRLVHPP-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573438397 948235799 /nfs/dbraw/zinc/23/57/99/948235799.db2.gz ACHNTURJHMLGBF-WFASDCNBSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573438397 948235806 /nfs/dbraw/zinc/23/58/06/948235806.db2.gz ACHNTURJHMLGBF-WFASDCNBSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573438419 948236013 /nfs/dbraw/zinc/23/60/13/948236013.db2.gz AEZIHMNABBQKLR-KBPBESRZSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573438419 948236020 /nfs/dbraw/zinc/23/60/20/948236020.db2.gz AEZIHMNABBQKLR-KBPBESRZSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573438608 948237572 /nfs/dbraw/zinc/23/75/72/948237572.db2.gz CZXYPLXWUZTYHF-JSGCOSHPSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573438608 948237584 /nfs/dbraw/zinc/23/75/84/948237584.db2.gz CZXYPLXWUZTYHF-JSGCOSHPSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573691125 948237730 /nfs/dbraw/zinc/23/77/30/948237730.db2.gz DDCJBZMIOVSDEL-YPMHNXCESA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573691125 948237739 /nfs/dbraw/zinc/23/77/39/948237739.db2.gz DDCJBZMIOVSDEL-YPMHNXCESA-N -1 3 384.444 0.627 20 0 GCADHM O=C(CCN1CCCC1=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826407654 948239712 /nfs/dbraw/zinc/23/97/12/948239712.db2.gz VXSXPPLRAHVKSZ-OAHLLOKOSA-N -1 3 398.423 0.918 20 0 GCADHM O=C(CCN1CCCC1=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826407654 948239722 /nfs/dbraw/zinc/23/97/22/948239722.db2.gz VXSXPPLRAHVKSZ-OAHLLOKOSA-N -1 3 398.423 0.918 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1)n1cncn1 ZINC001573691434 948241136 /nfs/dbraw/zinc/24/11/36/948241136.db2.gz GZFGXKJVUAKEHU-SECBINFHSA-N -1 3 388.823 0.829 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1)n1cncn1 ZINC001573691434 948241146 /nfs/dbraw/zinc/24/11/46/948241146.db2.gz GZFGXKJVUAKEHU-SECBINFHSA-N -1 3 388.823 0.829 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCC1)n1cncn1 ZINC001573691819 948248027 /nfs/dbraw/zinc/24/80/27/948248027.db2.gz JBLVURXVQQILTM-SNVBAGLBSA-N -1 3 386.395 0.704 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCC1)n1cncn1 ZINC001573691819 948248033 /nfs/dbraw/zinc/24/80/33/948248033.db2.gz JBLVURXVQQILTM-SNVBAGLBSA-N -1 3 386.395 0.704 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573439804 948253696 /nfs/dbraw/zinc/25/36/96/948253696.db2.gz SNDUUWVXJVNBCS-TZMCWYRMSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573439804 948253705 /nfs/dbraw/zinc/25/37/05/948253705.db2.gz SNDUUWVXJVNBCS-TZMCWYRMSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573440057 948259018 /nfs/dbraw/zinc/25/90/18/948259018.db2.gz YZEPJQBMNGRSOJ-LSDHHAIUSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573440057 948259026 /nfs/dbraw/zinc/25/90/26/948259026.db2.gz YZEPJQBMNGRSOJ-LSDHHAIUSA-N -1 3 384.444 0.533 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccccn2)CC1 ZINC000826417345 948259037 /nfs/dbraw/zinc/25/90/37/948259037.db2.gz NOQWXJWTAQMTJX-UHFFFAOYSA-N -1 3 379.424 0.985 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CC1 ZINC001573692535 948267772 /nfs/dbraw/zinc/26/77/72/948267772.db2.gz PQSSPCDGNJISDL-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CC1 ZINC001573692535 948267778 /nfs/dbraw/zinc/26/77/78/948267778.db2.gz PQSSPCDGNJISDL-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1)C1CC1 ZINC001573692593 948269494 /nfs/dbraw/zinc/26/94/94/948269494.db2.gz QYRFJFZIINOMCQ-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1)C1CC1 ZINC001573692593 948269503 /nfs/dbraw/zinc/26/95/03/948269503.db2.gz QYRFJFZIINOMCQ-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573692590 948269828 /nfs/dbraw/zinc/26/98/28/948269828.db2.gz PZAXMCATFZVKDJ-PSASIEDQSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573692590 948269831 /nfs/dbraw/zinc/26/98/31/948269831.db2.gz PZAXMCATFZVKDJ-PSASIEDQSA-N -1 3 385.375 0.035 20 0 GCADHM O=C(N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1(N2CCOCC2)CCC1 ZINC000826425975 948274511 /nfs/dbraw/zinc/27/45/11/948274511.db2.gz AVBQCHCQQWAOMQ-UHFFFAOYSA-N -1 3 398.471 0.165 20 0 GCADHM O=C(N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1(N2CCOCC2)CCC1 ZINC000826425975 948274518 /nfs/dbraw/zinc/27/45/18/948274518.db2.gz AVBQCHCQQWAOMQ-UHFFFAOYSA-N -1 3 398.471 0.165 20 0 GCADHM O=C(N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C(F)(F)C1(O)CCC1 ZINC000826426889 948277565 /nfs/dbraw/zinc/27/75/65/948277565.db2.gz YSFBPPIQESJAKY-UHFFFAOYSA-N -1 3 379.371 0.461 20 0 GCADHM O=C(N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C(F)(F)C1(O)CCC1 ZINC000826426889 948277573 /nfs/dbraw/zinc/27/75/73/948277573.db2.gz YSFBPPIQESJAKY-UHFFFAOYSA-N -1 3 379.371 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](N2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2=O)C1 ZINC001573441978 948282017 /nfs/dbraw/zinc/28/20/17/948282017.db2.gz DTBLQEXDSSGMEP-AWEZNQCLSA-N -1 3 384.444 0.230 20 0 GCADHM CC(=O)N1CCC[C@H](N2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2=O)C1 ZINC001573441978 948282028 /nfs/dbraw/zinc/28/20/28/948282028.db2.gz DTBLQEXDSSGMEP-AWEZNQCLSA-N -1 3 384.444 0.230 20 0 GCADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573442272 948288171 /nfs/dbraw/zinc/28/81/71/948288171.db2.gz UWOFCCOKAAKALE-LBPRGKRZSA-N -1 3 392.489 0.951 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCCO1 ZINC001573694269 948291976 /nfs/dbraw/zinc/29/19/76/948291976.db2.gz CAFNIIWMTNFHEV-WCQYABFASA-N -1 3 392.485 0.406 20 0 GCADHM CC(=O)N1CCC[C@H](N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2=O)C1 ZINC001573442689 948297533 /nfs/dbraw/zinc/29/75/33/948297533.db2.gz JYCHNPLLGVAONF-ZDUSSCGKSA-N -1 3 387.419 0.665 20 0 GCADHM CC(=O)N1CCC[C@H](N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2=O)C1 ZINC001573442689 948297539 /nfs/dbraw/zinc/29/75/39/948297539.db2.gz JYCHNPLLGVAONF-ZDUSSCGKSA-N -1 3 387.419 0.665 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573442944 948300946 /nfs/dbraw/zinc/30/09/46/948300946.db2.gz KMOBMXZQOMKGGB-CABZTGNLSA-N -1 3 392.489 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CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573443470 948308577 /nfs/dbraw/zinc/30/85/77/948308577.db2.gz OASLFOXGWKTSCM-ZYHUDNBSSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573695981 948314662 /nfs/dbraw/zinc/31/46/62/948314662.db2.gz JXSZCXKDQGYBHE-ZBOXLXRLSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573695981 948314671 /nfs/dbraw/zinc/31/46/71/948314671.db2.gz JXSZCXKDQGYBHE-ZBOXLXRLSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)C(F)(F)F ZINC001573696111 948317633 /nfs/dbraw/zinc/31/76/33/948317633.db2.gz LGDSRGOWLYPENN-QMMMGPOBSA-N -1 3 390.391 0.790 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573444814 948318408 /nfs/dbraw/zinc/31/84/08/948318408.db2.gz WDIQZJXZCMGGMC-CYBMUJFWSA-N -1 3 391.501 0.735 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCCO1 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20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573446418 948329457 /nfs/dbraw/zinc/32/94/57/948329457.db2.gz FEYWGQBIEDAMHJ-IINYFYTJSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573446576 948330627 /nfs/dbraw/zinc/33/06/27/948330627.db2.gz JIKWMVNMTWFDIA-RDTXWAMCSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573446576 948330639 /nfs/dbraw/zinc/33/06/39/948330639.db2.gz JIKWMVNMTWFDIA-RDTXWAMCSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573446635 948333032 /nfs/dbraw/zinc/33/30/32/948333032.db2.gz KXGDNNYPTBUKDE-MRXNPFEDSA-N -1 3 384.444 0.311 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573446635 948333040 /nfs/dbraw/zinc/33/30/40/948333040.db2.gz KXGDNNYPTBUKDE-MRXNPFEDSA-N -1 3 384.444 0.311 20 0 GCADHM 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QESYRZXLIPBGEM-CMPLNLGQSA-N -1 3 386.395 0.339 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573704335 948369958 /nfs/dbraw/zinc/36/99/58/948369958.db2.gz ARVKYDYFDORZBW-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573704335 948369963 /nfs/dbraw/zinc/36/99/63/948369963.db2.gz ARVKYDYFDORZBW-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM O=C1[C@H](N2CCS(=O)(=O)CC2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826476408 948382230 /nfs/dbraw/zinc/38/22/30/948382230.db2.gz GYRCUOGSFDEZMS-CQSZACIVSA-N -1 3 376.442 0.093 20 0 GCADHM O=C1[C@H](N2CCS(=O)(=O)CC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476408 948382239 /nfs/dbraw/zinc/38/22/39/948382239.db2.gz GYRCUOGSFDEZMS-CQSZACIVSA-N -1 3 376.442 0.093 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826478531 948390492 /nfs/dbraw/zinc/39/04/92/948390492.db2.gz DUUCLPBTLIAEIY-BXUZGUMPSA-N -1 3 385.380 0.859 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826478531 948390504 /nfs/dbraw/zinc/39/05/04/948390504.db2.gz DUUCLPBTLIAEIY-BXUZGUMPSA-N -1 3 385.380 0.859 20 0 GCADHM O=C1NC(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3OC(F)F)C[C@H]12 ZINC000826482082 948396332 /nfs/dbraw/zinc/39/63/32/948396332.db2.gz RFSMMZFUMWYFPS-SNVBAGLBSA-N -1 3 379.327 0.204 20 0 GCADHM O=C1NC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3OC(F)F)C[C@H]12 ZINC000826482082 948396338 /nfs/dbraw/zinc/39/63/38/948396338.db2.gz RFSMMZFUMWYFPS-SNVBAGLBSA-N -1 3 379.327 0.204 20 0 GCADHM C[C@H](C(=O)NCCC1(CNc2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573705601 948403490 /nfs/dbraw/zinc/40/34/90/948403490.db2.gz GHVRTMFNAZSUFI-GFCCVEGCSA-N -1 3 382.432 0.813 20 0 GCADHM C[C@H](C(=O)NCCC1(CNc2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573705601 948403494 /nfs/dbraw/zinc/40/34/94/948403494.db2.gz GHVRTMFNAZSUFI-GFCCVEGCSA-N -1 3 382.432 0.813 20 0 GCADHM C[C@@H](C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573707084 948428481 /nfs/dbraw/zinc/42/84/81/948428481.db2.gz MFNQGNWVZFSHQR-NSHDSACASA-N -1 3 385.407 0.407 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573707459 948433866 /nfs/dbraw/zinc/43/38/66/948433866.db2.gz PBWOBZHKLBWVSE-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573707459 948433870 /nfs/dbraw/zinc/43/38/70/948433870.db2.gz PBWOBZHKLBWVSE-FZMZJTMJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)C(F)(F)F ZINC001573707580 948435524 /nfs/dbraw/zinc/43/55/24/948435524.db2.gz OOCIUWABOQIZQL-KOLCDFICSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)C(F)(F)F ZINC001573707580 948435532 /nfs/dbraw/zinc/43/55/32/948435532.db2.gz OOCIUWABOQIZQL-KOLCDFICSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)n1cccc1 ZINC001573707587 948438076 /nfs/dbraw/zinc/43/80/76/948438076.db2.gz OTTGUIAKKKYJSY-DZGCQCFKSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)n1cccc1 ZINC001573707587 948438081 /nfs/dbraw/zinc/43/80/81/948438081.db2.gz OTTGUIAKKKYJSY-DZGCQCFKSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F)n1cncn1 ZINC001573708131 948442573 /nfs/dbraw/zinc/44/25/73/948442573.db2.gz RTHCNIIHKRMTPC-RISCZKNCSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F)n1cncn1 ZINC001573708130 948442712 /nfs/dbraw/zinc/44/27/12/948442712.db2.gz RTHCNIIHKRMTPC-FZMZJTMJSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)C(F)(F)F ZINC001573708317 948447818 /nfs/dbraw/zinc/44/78/18/948447818.db2.gz UCHOGLWPDVCKFN-ONGXEEELSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)C(F)(F)F ZINC001573708317 948447825 /nfs/dbraw/zinc/44/78/25/948447825.db2.gz UCHOGLWPDVCKFN-ONGXEEELSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)C(C)(F)F ZINC001573708480 948452017 /nfs/dbraw/zinc/45/20/17/948452017.db2.gz VGBWMCFKGWBYQP-PWSUYJOCSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)C(C)(F)F ZINC001573708480 948452020 /nfs/dbraw/zinc/45/20/20/948452020.db2.gz VGBWMCFKGWBYQP-PWSUYJOCSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)c1ccco1 ZINC001573708656 948455434 /nfs/dbraw/zinc/45/54/34/948455434.db2.gz WVQSVWNIYAAVSG-JSGCOSHPSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)c1ccco1 ZINC001573708656 948455440 /nfs/dbraw/zinc/45/54/40/948455440.db2.gz WVQSVWNIYAAVSG-JSGCOSHPSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NCC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573708734 948457264 /nfs/dbraw/zinc/45/72/64/948457264.db2.gz XTCZOULNUWFFJU-NSHDSACASA-N -1 3 385.407 0.407 20 0 GCADHM C[C@@H](C(=O)NCC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573708734 948457265 /nfs/dbraw/zinc/45/72/65/948457265.db2.gz XTCZOULNUWFFJU-NSHDSACASA-N -1 3 385.407 0.407 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573708784 948460131 /nfs/dbraw/zinc/46/01/31/948460131.db2.gz XTESGOXQBGKYDB-OLZOCXBDSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573708784 948460137 /nfs/dbraw/zinc/46/01/37/948460137.db2.gz XTESGOXQBGKYDB-OLZOCXBDSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573708823 948460578 /nfs/dbraw/zinc/46/05/78/948460578.db2.gz YCJUOXCGKXJNJJ-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573708823 948460584 /nfs/dbraw/zinc/46/05/84/948460584.db2.gz YCJUOXCGKXJNJJ-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)C(C)(F)F ZINC001573708883 948461653 /nfs/dbraw/zinc/46/16/53/948461653.db2.gz YAYDMHWSXXZXQF-QWRGUYRKSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)C(C)(F)F ZINC001573708883 948461655 /nfs/dbraw/zinc/46/16/55/948461655.db2.gz YAYDMHWSXXZXQF-QWRGUYRKSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1)C1CC1 ZINC001573708858 948461708 /nfs/dbraw/zinc/46/17/08/948461708.db2.gz XYJUHSFZZOGQCS-GXFFZTMASA-N -1 3 375.408 0.768 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1)C1CC1 ZINC001573708858 948461711 /nfs/dbraw/zinc/46/17/11/948461711.db2.gz XYJUHSFZZOGQCS-GXFFZTMASA-N -1 3 375.408 0.768 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cccc1 ZINC001573708899 948461877 /nfs/dbraw/zinc/46/18/77/948461877.db2.gz YNPGSJBIZNTDOE-DZGCQCFKSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cccc1 ZINC001573708899 948461880 /nfs/dbraw/zinc/46/18/80/948461880.db2.gz YNPGSJBIZNTDOE-DZGCQCFKSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC001573708954 948464370 /nfs/dbraw/zinc/46/43/70/948464370.db2.gz ZNWLSWJUUIXGKE-TZMCWYRMSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC001573708954 948464378 /nfs/dbraw/zinc/46/43/78/948464378.db2.gz ZNWLSWJUUIXGKE-TZMCWYRMSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1)N(C)CC(F)(F)F ZINC001573713754 948468171 /nfs/dbraw/zinc/46/81/71/948468171.db2.gz BIAZSVYWYQDRPJ-SNVBAGLBSA-N -1 3 386.382 0.697 20 0 GCADHM C[C@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1)N(C)CC(F)(F)F ZINC001573713754 948468173 /nfs/dbraw/zinc/46/81/73/948468173.db2.gz BIAZSVYWYQDRPJ-SNVBAGLBSA-N -1 3 386.382 0.697 20 0 GCADHM C[C@@H](C(=O)NCC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573714037 948469547 /nfs/dbraw/zinc/46/95/47/948469547.db2.gz CQVKIZDDMGBDSM-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NCC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573714037 948469552 /nfs/dbraw/zinc/46/95/52/948469552.db2.gz CQVKIZDDMGBDSM-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1F)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC001129729276 948470779 /nfs/dbraw/zinc/47/07/79/948470779.db2.gz SUTUUOICVAWCEP-UHFFFAOYSA-N -1 3 389.372 0.442 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1F)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC001129729276 948470783 /nfs/dbraw/zinc/47/07/83/948470783.db2.gz SUTUUOICVAWCEP-UHFFFAOYSA-N -1 3 389.372 0.442 20 0 GCADHM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573714496 948472165 /nfs/dbraw/zinc/47/21/65/948472165.db2.gz HHOOVORCVAEDQD-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573714496 948472169 /nfs/dbraw/zinc/47/21/69/948472169.db2.gz HHOOVORCVAEDQD-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM CN1C(=O)CO[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[C@H]1c1cccnc1 ZINC001142790106 948481849 /nfs/dbraw/zinc/48/18/49/948481849.db2.gz BJHXHPAZZPDGDY-CVEARBPZSA-N -1 3 379.380 0.799 20 0 GCADHM CN1C(=O)CO[C@H](C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1cccnc1 ZINC001142790106 948481852 /nfs/dbraw/zinc/48/18/52/948481852.db2.gz BJHXHPAZZPDGDY-CVEARBPZSA-N -1 3 379.380 0.799 20 0 GCADHM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573715305 948487449 /nfs/dbraw/zinc/48/74/49/948487449.db2.gz SZWBWYFEJPQSSE-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573715305 948487457 /nfs/dbraw/zinc/48/74/57/948487457.db2.gz SZWBWYFEJPQSSE-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573717481 948508995 /nfs/dbraw/zinc/50/89/95/948508995.db2.gz CWULUBBRVKAUPM-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@H](C(=O)NCCN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573717481 948509001 /nfs/dbraw/zinc/50/90/01/948509001.db2.gz CWULUBBRVKAUPM-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)c2ccc(F)cc2O1 ZINC001452723878 948522709 /nfs/dbraw/zinc/52/27/09/948522709.db2.gz VXAVSBWCGIRTEG-AWEZNQCLSA-N -1 3 384.327 0.982 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)c2ccc(F)cc2O1 ZINC001452723878 948522713 /nfs/dbraw/zinc/52/27/13/948522713.db2.gz VXAVSBWCGIRTEG-AWEZNQCLSA-N -1 3 384.327 0.982 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573719204 948523551 /nfs/dbraw/zinc/52/35/51/948523551.db2.gz LAZRONFCRXWWDJ-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573719204 948523556 /nfs/dbraw/zinc/52/35/56/948523556.db2.gz LAZRONFCRXWWDJ-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573719251 948524979 /nfs/dbraw/zinc/52/49/79/948524979.db2.gz MCFOZDBZSKPZHN-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573719251 948524985 /nfs/dbraw/zinc/52/49/85/948524985.db2.gz MCFOZDBZSKPZHN-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573719252 948525034 /nfs/dbraw/zinc/52/50/34/948525034.db2.gz MCFOZDBZSKPZHN-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573719252 948525042 /nfs/dbraw/zinc/52/50/42/948525042.db2.gz MCFOZDBZSKPZHN-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM O=S(=O)(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001475660464 948534582 /nfs/dbraw/zinc/53/45/82/948534582.db2.gz IBNKGRXXBWVGBI-KKFJDGPESA-N -1 3 385.833 0.602 20 0 GCADHM O=S(=O)(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001475660464 948534587 /nfs/dbraw/zinc/53/45/87/948534587.db2.gz IBNKGRXXBWVGBI-KKFJDGPESA-N -1 3 385.833 0.602 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573721592 948541271 /nfs/dbraw/zinc/54/12/71/948541271.db2.gz YWNGWRAPUHGPMI-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573721592 948541283 /nfs/dbraw/zinc/54/12/83/948541283.db2.gz YWNGWRAPUHGPMI-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573725916 948546299 /nfs/dbraw/zinc/54/62/99/948546299.db2.gz CUUDEWRQMGDKHR-MHDGFBEUSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCC(=O)N1 ZINC001573725916 948546304 /nfs/dbraw/zinc/54/63/04/948546304.db2.gz CUUDEWRQMGDKHR-MHDGFBEUSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cncn1 ZINC001573727416 948553827 /nfs/dbraw/zinc/55/38/27/948553827.db2.gz NKJUOUROLMMAQT-YRGRVCCFSA-N -1 3 382.432 0.303 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cncn1 ZINC001573727416 948553832 /nfs/dbraw/zinc/55/38/32/948553832.db2.gz NKJUOUROLMMAQT-YRGRVCCFSA-N -1 3 382.432 0.303 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCC(=O)N1 ZINC001573728333 948560734 /nfs/dbraw/zinc/56/07/34/948560734.db2.gz DGYDDBNXFWYSBU-HBJVGIJOSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCC(=O)N1 ZINC001573728333 948560743 /nfs/dbraw/zinc/56/07/43/948560743.db2.gz DGYDDBNXFWYSBU-HBJVGIJOSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCC(=O)N1 ZINC001573728331 948561796 /nfs/dbraw/zinc/56/17/96/948561796.db2.gz DGYDDBNXFWYSBU-AUZPSNTRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCC(=O)N1 ZINC001573728331 948561806 /nfs/dbraw/zinc/56/18/06/948561806.db2.gz DGYDDBNXFWYSBU-AUZPSNTRSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl)S(C)(=O)=O ZINC001573731213 948589258 /nfs/dbraw/zinc/58/92/58/948589258.db2.gz FKTUHRQAONMDPO-JGVFFNPUSA-N -1 3 387.853 0.265 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl)S(C)(=O)=O ZINC001573731213 948589264 /nfs/dbraw/zinc/58/92/64/948589264.db2.gz FKTUHRQAONMDPO-JGVFFNPUSA-N -1 3 387.853 0.265 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573731362 948590835 /nfs/dbraw/zinc/59/08/35/948590835.db2.gz WDEJCIHZULFVQE-NHCYSSNCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573731362 948590839 /nfs/dbraw/zinc/59/08/39/948590839.db2.gz WDEJCIHZULFVQE-NHCYSSNCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573732721 948608352 /nfs/dbraw/zinc/60/83/52/948608352.db2.gz WHEMDJVJHHYQAS-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001573732721 948608356 /nfs/dbraw/zinc/60/83/56/948608356.db2.gz WHEMDJVJHHYQAS-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)c1cncnc1 ZINC001573732793 948609341 /nfs/dbraw/zinc/60/93/41/948609341.db2.gz XZLJIABTTVVDQC-QWRGUYRKSA-N -1 3 383.416 0.413 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)c1cncnc1 ZINC001573732793 948609344 /nfs/dbraw/zinc/60/93/44/948609344.db2.gz XZLJIABTTVVDQC-QWRGUYRKSA-N -1 3 383.416 0.413 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573736094 948613054 /nfs/dbraw/zinc/61/30/54/948613054.db2.gz HUCOZZMMWQUFDP-GXFFZTMASA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573736094 948613058 /nfs/dbraw/zinc/61/30/58/948613058.db2.gz HUCOZZMMWQUFDP-GXFFZTMASA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573736118 948613300 /nfs/dbraw/zinc/61/33/00/948613300.db2.gz JDCHDOPLHXEAJW-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573736118 948613305 /nfs/dbraw/zinc/61/33/05/948613305.db2.gz JDCHDOPLHXEAJW-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573736454 948616390 /nfs/dbraw/zinc/61/63/90/948616390.db2.gz VLSSNWSPQCSZID-CYZMBNFOSA-N -1 3 393.473 0.534 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573736454 948616392 /nfs/dbraw/zinc/61/63/92/948616392.db2.gz VLSSNWSPQCSZID-CYZMBNFOSA-N -1 3 393.473 0.534 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573736475 948616408 /nfs/dbraw/zinc/61/64/08/948616408.db2.gz WYZHQSNUHFYIEJ-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573736475 948616411 /nfs/dbraw/zinc/61/64/11/948616411.db2.gz WYZHQSNUHFYIEJ-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C)S(C)(=O)=O ZINC001573739840 948624132 /nfs/dbraw/zinc/62/41/32/948624132.db2.gz BZAPZUDYPORRRO-JFGNBEQYSA-N -1 3 398.514 0.298 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)C[C@H]1C)S(C)(=O)=O ZINC001573739817 948624200 /nfs/dbraw/zinc/62/42/00/948624200.db2.gz AWRVXGYRSQOGKR-TYNCELHUSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)C[C@H]1C)S(C)(=O)=O ZINC001573739817 948624203 /nfs/dbraw/zinc/62/42/03/948624203.db2.gz AWRVXGYRSQOGKR-TYNCELHUSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)n1cccn1 ZINC001573740149 948629017 /nfs/dbraw/zinc/62/90/17/948629017.db2.gz GDBUYNOQRSRIFV-MPKXVKKWSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)n1cccn1 ZINC001573740149 948629020 /nfs/dbraw/zinc/62/90/20/948629020.db2.gz GDBUYNOQRSRIFV-MPKXVKKWSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C(C)(C)C ZINC001573740142 948629790 /nfs/dbraw/zinc/62/97/90/948629790.db2.gz GCBLMKYEZBVOQW-OASPWFOLSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C(C)(C)C ZINC001573740142 948629797 /nfs/dbraw/zinc/62/97/97/948629797.db2.gz GCBLMKYEZBVOQW-OASPWFOLSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C)S(C)(=O)=O ZINC001573740262 948630473 /nfs/dbraw/zinc/63/04/73/948630473.db2.gz HKDZTJGHHSXTJM-LALPHHSUSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C)C(F)(F)F ZINC001573740549 948637543 /nfs/dbraw/zinc/63/75/43/948637543.db2.gz LMATWXFSAKIHHE-SOCHQFKDSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C)C(F)(F)F ZINC001573740549 948637548 /nfs/dbraw/zinc/63/75/48/948637548.db2.gz LMATWXFSAKIHHE-SOCHQFKDSA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C)C(F)(F)F ZINC001573740550 948637903 /nfs/dbraw/zinc/63/79/03/948637903.db2.gz LMATWXFSAKIHHE-VHSKPIJISA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C)C(F)(F)F ZINC001573740550 948637908 /nfs/dbraw/zinc/63/79/08/948637908.db2.gz LMATWXFSAKIHHE-VHSKPIJISA-N -1 3 385.350 0.970 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)C(C)(F)F ZINC001573740760 948641290 /nfs/dbraw/zinc/64/12/90/948641290.db2.gz OCSUGRMZRKRXIN-JMJZKYOTSA-N -1 3 386.428 0.881 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)C(C)(F)F ZINC001573740760 948641292 /nfs/dbraw/zinc/64/12/92/948641292.db2.gz OCSUGRMZRKRXIN-JMJZKYOTSA-N -1 3 386.428 0.881 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C)c1cnn(C)c1 ZINC001573740827 948642966 /nfs/dbraw/zinc/64/29/66/948642966.db2.gz PCVCKSYWDIKWST-TYNCELHUSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C)c1cnn(C)c1 ZINC001573740827 948642969 /nfs/dbraw/zinc/64/29/69/948642969.db2.gz PCVCKSYWDIKWST-TYNCELHUSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)n1cccn1 ZINC001573740945 948646439 /nfs/dbraw/zinc/64/64/39/948646439.db2.gz QWPZRJFSZRAMDT-CYZMBNFOSA-N -1 3 388.457 0.047 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)n1cccn1 ZINC001573740945 948646445 /nfs/dbraw/zinc/64/64/45/948646445.db2.gz QWPZRJFSZRAMDT-CYZMBNFOSA-N -1 3 388.457 0.047 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1ccsc1 ZINC001573741153 948650650 /nfs/dbraw/zinc/65/06/50/948650650.db2.gz TWNSLUYQXCSLPE-KMUNFCNLSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1ccsc1 ZINC001573741153 948650657 /nfs/dbraw/zinc/65/06/57/948650657.db2.gz TWNSLUYQXCSLPE-KMUNFCNLSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573741197 948652271 /nfs/dbraw/zinc/65/22/71/948652271.db2.gz YVPUQRUOPOXQLI-BHTHQVBYSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573741197 948652276 /nfs/dbraw/zinc/65/22/76/948652276.db2.gz YVPUQRUOPOXQLI-BHTHQVBYSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573741831 948656967 /nfs/dbraw/zinc/65/69/67/948656967.db2.gz FKTUHRQAONMDPO-SFYZADRCSA-N -1 3 387.853 0.265 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573741831 948656972 /nfs/dbraw/zinc/65/69/72/948656972.db2.gz FKTUHRQAONMDPO-SFYZADRCSA-N -1 3 387.853 0.265 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001573741830 948657615 /nfs/dbraw/zinc/65/76/15/948657615.db2.gz FKTUHRQAONMDPO-HTQZYQBOSA-N -1 3 387.853 0.265 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001573741830 948657621 /nfs/dbraw/zinc/65/76/21/948657621.db2.gz FKTUHRQAONMDPO-HTQZYQBOSA-N -1 3 387.853 0.265 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C)n1cccn1 ZINC001573742063 948658758 /nfs/dbraw/zinc/65/87/58/948658758.db2.gz HUKRXQBNOAQRCW-WOPDTQHZSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C)n1cccn1 ZINC001573742063 948658762 /nfs/dbraw/zinc/65/87/62/948658762.db2.gz HUKRXQBNOAQRCW-WOPDTQHZSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573745683 948673850 /nfs/dbraw/zinc/67/38/50/948673850.db2.gz GQXXUAPQRWJQMA-UTUOFQBUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573745683 948673858 /nfs/dbraw/zinc/67/38/58/948673858.db2.gz GQXXUAPQRWJQMA-UTUOFQBUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573746404 948680266 /nfs/dbraw/zinc/68/02/66/948680266.db2.gz LKFCYLMQDCCKQC-ZMLRMANQSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573746404 948680271 /nfs/dbraw/zinc/68/02/71/948680271.db2.gz LKFCYLMQDCCKQC-ZMLRMANQSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573746378 948680735 /nfs/dbraw/zinc/68/07/35/948680735.db2.gz JPEQTFFEPJXGFR-BPNCWPANSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573746378 948680738 /nfs/dbraw/zinc/68/07/38/948680738.db2.gz JPEQTFFEPJXGFR-BPNCWPANSA-N -1 3 380.412 0.771 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2-c2nnn[n-]2)[C@@H]1C)S(C)(=O)=O ZINC001573746434 948681219 /nfs/dbraw/zinc/68/12/19/948681219.db2.gz LQOJXAHONRSBBK-XUJVJEKNSA-N -1 3 392.485 0.379 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[n-]n2)[C@@H]1C)S(C)(=O)=O ZINC001573746434 948681223 /nfs/dbraw/zinc/68/12/23/948681223.db2.gz LQOJXAHONRSBBK-XUJVJEKNSA-N -1 3 392.485 0.379 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1cnn(C)c1 ZINC001573746483 948682449 /nfs/dbraw/zinc/68/24/49/948682449.db2.gz KERHOSWNGOIIBJ-TVYUQYBPSA-N -1 3 385.407 0.997 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1cnn(C)c1 ZINC001573746483 948682456 /nfs/dbraw/zinc/68/24/56/948682456.db2.gz KERHOSWNGOIIBJ-TVYUQYBPSA-N -1 3 385.407 0.997 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573748805 948697774 /nfs/dbraw/zinc/69/77/74/948697774.db2.gz VDBRDCSZHMTXCZ-YRGRVCCFSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573748805 948697779 /nfs/dbraw/zinc/69/77/79/948697779.db2.gz VDBRDCSZHMTXCZ-YRGRVCCFSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)[C@@H]1CCC(=O)N1 ZINC001573749343 948699941 /nfs/dbraw/zinc/69/99/41/948699941.db2.gz YOAZXZLOBGBDJR-GOONRYMUSA-N -1 3 388.407 0.375 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)[C@@H]1CCC(=O)N1 ZINC001573749343 948699944 /nfs/dbraw/zinc/69/99/44/948699944.db2.gz YOAZXZLOBGBDJR-GOONRYMUSA-N -1 3 388.407 0.375 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)c1cccnc1 ZINC001573751887 948706930 /nfs/dbraw/zinc/70/69/30/948706930.db2.gz GQJZDYLAGXNBMI-ADDUCUOXSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)c1cccnc1 ZINC001573751887 948706937 /nfs/dbraw/zinc/70/69/37/948706937.db2.gz GQJZDYLAGXNBMI-ADDUCUOXSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)[C@H]1CCCO1 ZINC001573753700 948720963 /nfs/dbraw/zinc/72/09/63/948720963.db2.gz WZZKZMHBPRRDST-PRHQYYMVSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)[C@H]1CCCO1 ZINC001573753700 948720967 /nfs/dbraw/zinc/72/09/67/948720967.db2.gz WZZKZMHBPRRDST-PRHQYYMVSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccn(C)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574914503 948752327 /nfs/dbraw/zinc/75/23/27/948752327.db2.gz LDOMPOGYAZDSPQ-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccn(C)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574914503 948752336 /nfs/dbraw/zinc/75/23/36/948752336.db2.gz LDOMPOGYAZDSPQ-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001574416662 948755065 /nfs/dbraw/zinc/75/50/65/948755065.db2.gz BVCVKYOKGZAQNX-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574416662 948755072 /nfs/dbraw/zinc/75/50/72/948755072.db2.gz BVCVKYOKGZAQNX-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575222736 948759066 /nfs/dbraw/zinc/75/90/66/948759066.db2.gz IAGJVOQDMTYBDH-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575222736 948759082 /nfs/dbraw/zinc/75/90/82/948759082.db2.gz IAGJVOQDMTYBDH-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM C[C@@H](C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1)[C@H](C)S(C)(=O)=O ZINC001573755288 948759356 /nfs/dbraw/zinc/75/93/56/948759356.db2.gz OGTVQEXZBBPRKR-ZJUUUORDSA-N -1 3 390.429 0.455 20 0 GCADHM C[C@@H](C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1)[C@H](C)S(C)(=O)=O ZINC001573755288 948759368 /nfs/dbraw/zinc/75/93/68/948759368.db2.gz OGTVQEXZBBPRKR-ZJUUUORDSA-N -1 3 390.429 0.455 20 0 GCADHM C[C@H]([C@@H](C)C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001573755285 948761414 /nfs/dbraw/zinc/76/14/14/948761414.db2.gz OGTVQEXZBBPRKR-NXEZZACHSA-N -1 3 390.429 0.455 20 0 GCADHM C[C@H]([C@@H](C)C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573755285 948761423 /nfs/dbraw/zinc/76/14/23/948761423.db2.gz OGTVQEXZBBPRKR-NXEZZACHSA-N -1 3 390.429 0.455 20 0 GCADHM CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575224276 948780543 /nfs/dbraw/zinc/78/05/43/948780543.db2.gz LGMRSVXASOAJOR-MRXNPFEDSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575224276 948780557 /nfs/dbraw/zinc/78/05/57/948780557.db2.gz LGMRSVXASOAJOR-MRXNPFEDSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575224437 948784842 /nfs/dbraw/zinc/78/48/42/948784842.db2.gz NKWPENHBXDPPGL-UHFFFAOYSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575224437 948784850 /nfs/dbraw/zinc/78/48/50/948784850.db2.gz NKWPENHBXDPPGL-UHFFFAOYSA-N -1 3 381.387 0.755 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)CCNc1cnc(-c2nnn[n-]2)cn1 ZINC001574679554 948788441 /nfs/dbraw/zinc/78/84/41/948788441.db2.gz XVOQDWHNXIIXDN-GFCCVEGCSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)CCNc1cnc(-c2nn[n-]n2)cn1 ZINC001574679554 948788451 /nfs/dbraw/zinc/78/84/51/948788451.db2.gz XVOQDWHNXIIXDN-GFCCVEGCSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)[C@H](O)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574080294 948788593 /nfs/dbraw/zinc/78/85/93/948788593.db2.gz OGHJCPHNLOVPSY-OAHLLOKOSA-N -1 3 388.476 0.937 20 0 GCADHM CC(C)[C@H](O)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574080294 948788601 /nfs/dbraw/zinc/78/86/01/948788601.db2.gz OGHJCPHNLOVPSY-OAHLLOKOSA-N -1 3 388.476 0.937 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574916762 948790922 /nfs/dbraw/zinc/79/09/22/948790922.db2.gz JAJLUCIKGLBGHH-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574916762 948790939 /nfs/dbraw/zinc/79/09/39/948790939.db2.gz JAJLUCIKGLBGHH-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN([S@](C)(=N)=O)CC1 ZINC001573755986 948793218 /nfs/dbraw/zinc/79/32/18/948793218.db2.gz KSSNSXGILRIBBR-LJZMDLFKSA-N -1 3 378.462 0.403 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN([S@](C)(=N)=O)CC1 ZINC001573755986 948793235 /nfs/dbraw/zinc/79/32/35/948793235.db2.gz KSSNSXGILRIBBR-LJZMDLFKSA-N -1 3 378.462 0.403 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001574080455 948793511 /nfs/dbraw/zinc/79/35/11/948793511.db2.gz LGBUQUFMZQBGJJ-DGCLKSJQSA-N -1 3 381.387 0.716 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001574080455 948793523 /nfs/dbraw/zinc/79/35/23/948793523.db2.gz LGBUQUFMZQBGJJ-DGCLKSJQSA-N -1 3 381.387 0.716 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575225124 948798710 /nfs/dbraw/zinc/79/87/10/948798710.db2.gz WVFXQICGBJJRSK-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575225124 948798721 /nfs/dbraw/zinc/79/87/21/948798721.db2.gz WVFXQICGBJJRSK-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574917054 948802847 /nfs/dbraw/zinc/80/28/47/948802847.db2.gz PTHASYZMOUGSHV-NSHDSACASA-N -1 3 385.407 0.988 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574917054 948802870 /nfs/dbraw/zinc/80/28/70/948802870.db2.gz PTHASYZMOUGSHV-NSHDSACASA-N -1 3 385.407 0.988 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@@H](O)[C@H](CO)C1 ZINC001573756296 948805704 /nfs/dbraw/zinc/80/57/04/948805704.db2.gz YSJPKYOQNVRMFT-JFGNBEQYSA-N -1 3 392.485 0.419 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@@H](O)[C@H](CO)C1 ZINC001573756296 948805720 /nfs/dbraw/zinc/80/57/20/948805720.db2.gz YSJPKYOQNVRMFT-JFGNBEQYSA-N -1 3 392.485 0.419 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001574080807 948806598 /nfs/dbraw/zinc/80/65/98/948806598.db2.gz NRPJSBOUQHWKOG-RBSFLKMASA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@@H](F)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001574080807 948806616 /nfs/dbraw/zinc/80/66/16/948806616.db2.gz NRPJSBOUQHWKOG-RBSFLKMASA-N -1 3 380.399 0.661 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917072 948806869 /nfs/dbraw/zinc/80/68/69/948806869.db2.gz QABRGFKUMXSCSY-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917072 948806876 /nfs/dbraw/zinc/80/68/76/948806876.db2.gz QABRGFKUMXSCSY-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917071 948807817 /nfs/dbraw/zinc/80/78/17/948807817.db2.gz QABRGFKUMXSCSY-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917071 948807836 /nfs/dbraw/zinc/80/78/36/948807836.db2.gz QABRGFKUMXSCSY-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(CN(C)C)on1 ZINC001574681324 948815783 /nfs/dbraw/zinc/81/57/83/948815783.db2.gz LJXCOYUKZKVZEF-JTQLQIEISA-N -1 3 386.420 0.327 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917476 948817940 /nfs/dbraw/zinc/81/79/40/948817940.db2.gz YJKGPCGMGNSEDU-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917476 948817954 /nfs/dbraw/zinc/81/79/54/948817954.db2.gz YJKGPCGMGNSEDU-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917435 948821626 /nfs/dbraw/zinc/82/16/26/948821626.db2.gz XOPNGGJCTMLLIP-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917435 948821642 /nfs/dbraw/zinc/82/16/42/948821642.db2.gz XOPNGGJCTMLLIP-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917578 948823447 /nfs/dbraw/zinc/82/34/47/948823447.db2.gz ZZENPXNXQMCUDB-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917578 948823467 /nfs/dbraw/zinc/82/34/67/948823467.db2.gz ZZENPXNXQMCUDB-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917579 948824148 /nfs/dbraw/zinc/82/41/48/948824148.db2.gz ZZENPXNXQMCUDB-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917579 948824170 /nfs/dbraw/zinc/82/41/70/948824170.db2.gz ZZENPXNXQMCUDB-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574422280 948831763 /nfs/dbraw/zinc/83/17/63/948831763.db2.gz YHIASJKQTVWTHR-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574422280 948831789 /nfs/dbraw/zinc/83/17/89/948831789.db2.gz YHIASJKQTVWTHR-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccn1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917965 948834126 /nfs/dbraw/zinc/83/41/26/948834126.db2.gz DNOJCYHQZBMIIJ-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccn1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917965 948834142 /nfs/dbraw/zinc/83/41/42/948834142.db2.gz DNOJCYHQZBMIIJ-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574918157 948838125 /nfs/dbraw/zinc/83/81/25/948838125.db2.gz GLQUSWGUZATNOX-NSHDSACASA-N -1 3 381.462 0.251 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574918157 948838139 /nfs/dbraw/zinc/83/81/39/948838139.db2.gz GLQUSWGUZATNOX-NSHDSACASA-N -1 3 381.462 0.251 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccnc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574918248 948839831 /nfs/dbraw/zinc/83/98/31/948839831.db2.gz HRYOQSXZJNJCCZ-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccnc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574918248 948839845 /nfs/dbraw/zinc/83/98/45/948839845.db2.gz HRYOQSXZJNJCCZ-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM CC(C)c1cnc(CNC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001574424159 948843116 /nfs/dbraw/zinc/84/31/16/948843116.db2.gz GUPKESZNUQULAF-LBPRGKRZSA-N -1 3 388.432 0.529 20 0 GCADHM CC(C)c1cnc(CNC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001574424158 948845691 /nfs/dbraw/zinc/84/56/91/948845691.db2.gz GUPKESZNUQULAF-GFCCVEGCSA-N -1 3 388.432 0.529 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CNS(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573761556 948845530 /nfs/dbraw/zinc/84/55/30/948845530.db2.gz JMZUHFPXVVXQQO-GFCCVEGCSA-N -1 3 392.485 0.542 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CNS(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573761556 948845548 /nfs/dbraw/zinc/84/55/48/948845548.db2.gz JMZUHFPXVVXQQO-GFCCVEGCSA-N -1 3 392.485 0.542 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001574082023 948846675 /nfs/dbraw/zinc/84/66/75/948846675.db2.gz ZLSUYOOMUSEEDF-ILXRZTDVSA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001574082023 948846690 /nfs/dbraw/zinc/84/66/90/948846690.db2.gz ZLSUYOOMUSEEDF-ILXRZTDVSA-N -1 3 380.399 0.661 20 0 GCADHM CC(F)(F)CC(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001575229458 948847524 /nfs/dbraw/zinc/84/75/24/948847524.db2.gz JDNASUWWFNOZGY-UHFFFAOYSA-N -1 3 380.403 0.545 20 0 GCADHM CC(F)(F)CC(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001575229458 948847542 /nfs/dbraw/zinc/84/75/42/948847542.db2.gz JDNASUWWFNOZGY-UHFFFAOYSA-N -1 3 380.403 0.545 20 0 GCADHM CC(C)C1(C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001574082122 948851075 /nfs/dbraw/zinc/85/10/75/948851075.db2.gz AOVGNEZQNIKAOU-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)C1(C(=O)N2CC(CCO)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001574082122 948851089 /nfs/dbraw/zinc/85/10/89/948851089.db2.gz AOVGNEZQNIKAOU-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1CCNC1=O ZINC001574684252 948858725 /nfs/dbraw/zinc/85/87/25/948858725.db2.gz CHYMATDQCFQKEM-VHSXEESVSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1CCNC1=O ZINC001574684252 948858740 /nfs/dbraw/zinc/85/87/40/948858740.db2.gz CHYMATDQCFQKEM-VHSXEESVSA-N -1 3 376.396 0.234 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)c1cnc[nH]1 ZINC001573762690 948859475 /nfs/dbraw/zinc/85/94/75/948859475.db2.gz YIQBQLXUDLTPPP-LLVKDONJSA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)c1cnc[nH]1 ZINC001573762690 948859483 /nfs/dbraw/zinc/85/94/83/948859483.db2.gz YIQBQLXUDLTPPP-LLVKDONJSA-N -1 3 382.432 0.618 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccnc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574918798 948859945 /nfs/dbraw/zinc/85/99/45/948859945.db2.gz QSMUXZTZIXUOBZ-LBPRGKRZSA-N -1 3 385.432 0.354 20 0 GCADHM CC(C)c1cnc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001574424797 948862405 /nfs/dbraw/zinc/86/24/05/948862405.db2.gz VVQVQVNTGVEZQV-CHWSQXEVSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1cnc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001574424797 948862419 /nfs/dbraw/zinc/86/24/19/948862419.db2.gz VVQVQVNTGVEZQV-CHWSQXEVSA-N -1 3 386.416 0.281 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001575229995 948865312 /nfs/dbraw/zinc/86/53/12/948865312.db2.gz YEBICYZCWAJXKQ-CHWSQXEVSA-N -1 3 384.362 0.712 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O ZINC001575229995 948865325 /nfs/dbraw/zinc/86/53/25/948865325.db2.gz YEBICYZCWAJXKQ-CHWSQXEVSA-N -1 3 384.362 0.712 20 0 GCADHM CC(C)c1nc(CNCC2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001574425151 948866824 /nfs/dbraw/zinc/86/68/24/948866824.db2.gz AAALUPSFNZPZQL-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNCC2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001574425151 948866845 /nfs/dbraw/zinc/86/68/45/948866845.db2.gz AAALUPSFNZPZQL-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001574425283 948871373 /nfs/dbraw/zinc/87/13/73/948871373.db2.gz CBFGZFNDEGRBRV-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574684517 948873855 /nfs/dbraw/zinc/87/38/55/948873855.db2.gz HSAZJAHDKFQCBU-MWLCHTKSSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574684517 948873866 /nfs/dbraw/zinc/87/38/66/948873866.db2.gz HSAZJAHDKFQCBU-MWLCHTKSSA-N -1 3 392.851 0.891 20 0 GCADHM CC(C)c1nc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001574425239 948873799 /nfs/dbraw/zinc/87/37/99/948873799.db2.gz BCMUIMGYQYGLKV-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001574425239 948873812 /nfs/dbraw/zinc/87/38/12/948873812.db2.gz BCMUIMGYQYGLKV-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001574425477 948876468 /nfs/dbraw/zinc/87/64/68/948876468.db2.gz FRHKNBFCUJRYFL-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1nc(CN2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001574425477 948876481 /nfs/dbraw/zinc/87/64/81/948876481.db2.gz FRHKNBFCUJRYFL-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001574083195 948877881 /nfs/dbraw/zinc/87/78/81/948877881.db2.gz PYAQQLJRMYRCKM-XEZPLFJOSA-N -1 3 375.429 0.329 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001574083195 948877896 /nfs/dbraw/zinc/87/78/96/948877896.db2.gz PYAQQLJRMYRCKM-XEZPLFJOSA-N -1 3 375.429 0.329 20 0 GCADHM CC(C)(C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)c1cnc[nH]1 ZINC001573764014 948880055 /nfs/dbraw/zinc/88/00/55/948880055.db2.gz KEPLGWLOQLMEMD-UHFFFAOYSA-N -1 3 382.432 0.182 20 0 GCADHM C[C@@H](CNC(=O)CCc1cscn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920028 948882224 /nfs/dbraw/zinc/88/22/24/948882224.db2.gz AOZGJJSLYLSRRN-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)CCc1cscn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920028 948882243 /nfs/dbraw/zinc/88/22/43/948882243.db2.gz AOZGJJSLYLSRRN-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574684794 948885755 /nfs/dbraw/zinc/88/57/55/948885755.db2.gz MUEDPOLGGUTCGM-MWLCHTKSSA-N -1 3 376.396 0.376 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574684794 948885761 /nfs/dbraw/zinc/88/57/61/948885761.db2.gz MUEDPOLGGUTCGM-MWLCHTKSSA-N -1 3 376.396 0.376 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C1CC1 ZINC001573764304 948886645 /nfs/dbraw/zinc/88/66/45/948886645.db2.gz MCMHBLBWIXSBBD-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C1CC1 ZINC001573764304 948886659 /nfs/dbraw/zinc/88/66/59/948886659.db2.gz MCMHBLBWIXSBBD-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001574083465 948887632 /nfs/dbraw/zinc/88/76/32/948887632.db2.gz TXQPYTWUPZDZPK-QGZVFWFLSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001574083465 948887655 /nfs/dbraw/zinc/88/76/55/948887655.db2.gz TXQPYTWUPZDZPK-QGZVFWFLSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)c1nc(CNC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001574426129 948887961 /nfs/dbraw/zinc/88/79/61/948887961.db2.gz QYBGQSNDLKOBLS-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001574426129 948887973 /nfs/dbraw/zinc/88/79/73/948887973.db2.gz QYBGQSNDLKOBLS-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CO)c1nncn1C ZINC001574083759 948888965 /nfs/dbraw/zinc/88/89/65/948888965.db2.gz XZCHLQGEPJCTQP-TZMCWYRMSA-N -1 3 386.416 0.248 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CO)c1nncn1C ZINC001574083759 948888983 /nfs/dbraw/zinc/88/89/83/948888983.db2.gz XZCHLQGEPJCTQP-TZMCWYRMSA-N -1 3 386.416 0.248 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920189 948890061 /nfs/dbraw/zinc/89/00/61/948890061.db2.gz FJULPRXCDCTOIJ-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920189 948890082 /nfs/dbraw/zinc/89/00/82/948890082.db2.gz FJULPRXCDCTOIJ-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574684884 948890146 /nfs/dbraw/zinc/89/01/46/948890146.db2.gz OKPFGSQLIAPWFH-ABKXIKBNSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574684884 948890159 /nfs/dbraw/zinc/89/01/59/948890159.db2.gz OKPFGSQLIAPWFH-ABKXIKBNSA-N -1 3 392.851 0.891 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001575233813 948891955 /nfs/dbraw/zinc/89/19/55/948891955.db2.gz MCSXGLPGFZXVQE-MNOVXSKESA-N -1 3 385.350 0.502 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001575233813 948891967 /nfs/dbraw/zinc/89/19/67/948891967.db2.gz MCSXGLPGFZXVQE-MNOVXSKESA-N -1 3 385.350 0.502 20 0 GCADHM CC(C)c1nnc(CN2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]1 ZINC001574426574 948892391 /nfs/dbraw/zinc/89/23/91/948892391.db2.gz SHPALZHWPSABAY-LBPRGKRZSA-N -1 3 384.448 0.831 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)c1cnc[nH]1 ZINC001573764911 948892448 /nfs/dbraw/zinc/89/24/48/948892448.db2.gz RJTMSHZGGIDMJH-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)c1cnc[nH]1 ZINC001573764911 948892455 /nfs/dbraw/zinc/89/24/55/948892455.db2.gz RJTMSHZGGIDMJH-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1COCCO1 ZINC001574684991 948895465 /nfs/dbraw/zinc/89/54/65/948895465.db2.gz QNXROWWEBRPLNQ-SKDRFNHKSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1COCCO1 ZINC001574684991 948895478 /nfs/dbraw/zinc/89/54/78/948895478.db2.gz QNXROWWEBRPLNQ-SKDRFNHKSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920275 948897145 /nfs/dbraw/zinc/89/71/45/948897145.db2.gz HJPSZPQJTLLXGD-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920275 948897158 /nfs/dbraw/zinc/89/71/58/948897158.db2.gz HJPSZPQJTLLXGD-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920313 948897348 /nfs/dbraw/zinc/89/73/48/948897348.db2.gz IHTAGFJPKWOSAD-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920313 948897364 /nfs/dbraw/zinc/89/73/64/948897364.db2.gz IHTAGFJPKWOSAD-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574684979 948897837 /nfs/dbraw/zinc/89/78/37/948897837.db2.gz QLVRWCBQXYNBIX-KCJUWKMLSA-N -1 3 378.824 0.500 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574684979 948897849 /nfs/dbraw/zinc/89/78/49/948897849.db2.gz QLVRWCBQXYNBIX-KCJUWKMLSA-N -1 3 378.824 0.500 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1cnn(C)c1N ZINC001574685204 948903779 /nfs/dbraw/zinc/90/37/79/948903779.db2.gz SPFZFQUWBQBOEW-MRVPVSSYSA-N -1 3 390.839 0.851 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1cnn(C)c1N ZINC001574685204 948903788 /nfs/dbraw/zinc/90/37/88/948903788.db2.gz SPFZFQUWBQBOEW-MRVPVSSYSA-N -1 3 390.839 0.851 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CCn1cnnn1 ZINC001574685201 948904162 /nfs/dbraw/zinc/90/41/62/948904162.db2.gz SKOKQMIUMVUOSM-VIFPVBQESA-N -1 3 391.827 0.299 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CCn1cnnn1 ZINC001574685201 948904169 /nfs/dbraw/zinc/90/41/69/948904169.db2.gz SKOKQMIUMVUOSM-VIFPVBQESA-N -1 3 391.827 0.299 20 0 GCADHM C[C@@H](CNC(=O)CCc1cscn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920654 948904849 /nfs/dbraw/zinc/90/48/49/948904849.db2.gz NTEWXGMVOWEMQG-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1cscn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920654 948904863 /nfs/dbraw/zinc/90/48/63/948904863.db2.gz NTEWXGMVOWEMQG-JTQLQIEISA-N -1 3 388.457 0.766 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)c1cnc[nH]1 ZINC001573765364 948906118 /nfs/dbraw/zinc/90/61/18/948906118.db2.gz ZWSXRQKXAZBXEX-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)c1cnc[nH]1 ZINC001573765364 948906128 /nfs/dbraw/zinc/90/61/28/948906128.db2.gz ZWSXRQKXAZBXEX-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)c1nc(CN[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001574427701 948909268 /nfs/dbraw/zinc/90/92/68/948909268.db2.gz LHWTWIVFBQYRFS-KLPPZKSPSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001574427701 948909283 /nfs/dbraw/zinc/90/92/83/948909283.db2.gz LHWTWIVFBQYRFS-KLPPZKSPSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574920959 948913105 /nfs/dbraw/zinc/91/31/05/948913105.db2.gz RWORREXJVCMUKO-SECBINFHSA-N -1 3 390.839 0.593 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574920959 948913119 /nfs/dbraw/zinc/91/31/19/948913119.db2.gz RWORREXJVCMUKO-SECBINFHSA-N -1 3 390.839 0.593 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)c1cnc[nH]1 ZINC001573765637 948916566 /nfs/dbraw/zinc/91/65/66/948916566.db2.gz UNHSVXSBRCNEFA-LLVKDONJSA-N -1 3 382.432 0.182 20 0 GCADHM CC(C)c1nccc(N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)n1 ZINC001574427958 948917681 /nfs/dbraw/zinc/91/76/81/948917681.db2.gz VWNNAPHCUKVAPH-OLZOCXBDSA-N -1 3 383.416 0.088 20 0 GCADHM CC(C)c1nccc(N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)n1 ZINC001574427958 948917697 /nfs/dbraw/zinc/91/76/97/948917697.db2.gz VWNNAPHCUKVAPH-OLZOCXBDSA-N -1 3 383.416 0.088 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574427954 948917850 /nfs/dbraw/zinc/91/78/50/948917850.db2.gz VQSKBGJAYNMNHS-UHFFFAOYSA-N -1 3 384.448 0.571 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574427954 948917864 /nfs/dbraw/zinc/91/78/64/948917864.db2.gz VQSKBGJAYNMNHS-UHFFFAOYSA-N -1 3 384.448 0.571 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574921205 948918085 /nfs/dbraw/zinc/91/80/85/948918085.db2.gz VEJGSCOWEONWGQ-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CNC(=O)CCc1nccn1C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574921205 948918099 /nfs/dbraw/zinc/91/80/99/948918099.db2.gz VEJGSCOWEONWGQ-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CO[C@H]1CCOC1 ZINC001574685767 948918774 /nfs/dbraw/zinc/91/87/74/948918774.db2.gz AZLUJPDLZVTEMT-JQWIXIFHSA-N -1 3 379.396 0.513 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CO[C@H]1CCOC1 ZINC001574685767 948918786 /nfs/dbraw/zinc/91/87/86/948918786.db2.gz AZLUJPDLZVTEMT-JQWIXIFHSA-N -1 3 379.396 0.513 20 0 GCADHM C[C@H](CNC(=O)CCc1cscn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574921378 948920667 /nfs/dbraw/zinc/92/06/67/948920667.db2.gz VXPKTHWNOGTOAL-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)CCc1cscn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574921378 948920684 /nfs/dbraw/zinc/92/06/84/948920684.db2.gz VXPKTHWNOGTOAL-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574921385 948920745 /nfs/dbraw/zinc/92/07/45/948920745.db2.gz WABRMVKBPVIMOA-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574921385 948920757 /nfs/dbraw/zinc/92/07/57/948920757.db2.gz WABRMVKBPVIMOA-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574431762 948925709 /nfs/dbraw/zinc/92/57/09/948925709.db2.gz BELXPCWAMZLQSN-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)c1cnc[nH]1 ZINC001573765844 948927879 /nfs/dbraw/zinc/92/78/79/948927879.db2.gz MYHSKTZFSXZVAP-QWRGUYRKSA-N -1 3 380.416 0.147 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)c1cnc[nH]1 ZINC001573765844 948927891 /nfs/dbraw/zinc/92/78/91/948927891.db2.gz MYHSKTZFSXZVAP-QWRGUYRKSA-N -1 3 380.416 0.147 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccnn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574922972 948928487 /nfs/dbraw/zinc/92/84/87/948928487.db2.gz AODGWJYMSAADPK-LBPRGKRZSA-N -1 3 387.423 0.624 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001574686046 948928500 /nfs/dbraw/zinc/92/85/00/948928500.db2.gz DWIDEVVKJRCGST-DGCLKSJQSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001574686046 948928511 /nfs/dbraw/zinc/92/85/11/948928511.db2.gz DWIDEVVKJRCGST-DGCLKSJQSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001574686044 948928752 /nfs/dbraw/zinc/92/87/52/948928752.db2.gz DWIDEVVKJRCGST-AAEUAGOBSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001574686044 948928763 /nfs/dbraw/zinc/92/87/63/948928763.db2.gz DWIDEVVKJRCGST-AAEUAGOBSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001574686144 948929082 /nfs/dbraw/zinc/92/90/82/948929082.db2.gz DWIDEVVKJRCGST-WCQYABFASA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001574686144 948929090 /nfs/dbraw/zinc/92/90/90/948929090.db2.gz DWIDEVVKJRCGST-WCQYABFASA-N -1 3 387.448 0.502 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574431923 948929072 /nfs/dbraw/zinc/92/90/72/948929072.db2.gz FGEWZYKODKEMAC-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574431923 948929081 /nfs/dbraw/zinc/92/90/81/948929081.db2.gz FGEWZYKODKEMAC-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574923029 948930353 /nfs/dbraw/zinc/93/03/53/948930353.db2.gz BPDHSRUXFZLGAF-GFCCVEGCSA-N -1 3 383.416 0.073 20 0 GCADHM C[C@@H](CNC(=O)CCn1cnccc1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574923029 948930361 /nfs/dbraw/zinc/93/03/61/948930361.db2.gz BPDHSRUXFZLGAF-GFCCVEGCSA-N -1 3 383.416 0.073 20 0 GCADHM CC(C)c1ncncc1C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574432302 948931978 /nfs/dbraw/zinc/93/19/78/948931978.db2.gz JIKHPVCXUNJQMY-UHFFFAOYSA-N -1 3 383.416 0.610 20 0 GCADHM CC(C)c1ncncc1C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574432302 948931990 /nfs/dbraw/zinc/93/19/90/948931990.db2.gz JIKHPVCXUNJQMY-UHFFFAOYSA-N -1 3 383.416 0.610 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)F ZINC001573766074 948933920 /nfs/dbraw/zinc/93/39/20/948933920.db2.gz YDNUGXXJNIQOAX-UWVGGRQHSA-N -1 3 379.371 0.911 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)F ZINC001573766074 948933932 /nfs/dbraw/zinc/93/39/32/948933932.db2.gz YDNUGXXJNIQOAX-UWVGGRQHSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ccn(C)c(=O)c1 ZINC001574686429 948936790 /nfs/dbraw/zinc/93/67/90/948936790.db2.gz IRLQMTUGYSCVCV-SNVBAGLBSA-N -1 3 386.391 0.720 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ccn(C)c(=O)c1 ZINC001574686429 948936795 /nfs/dbraw/zinc/93/67/95/948936795.db2.gz IRLQMTUGYSCVCV-SNVBAGLBSA-N -1 3 386.391 0.720 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432574 948936953 /nfs/dbraw/zinc/93/69/53/948936953.db2.gz NJQFUDHLRIJUAC-NWDGAFQWSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432574 948936959 /nfs/dbraw/zinc/93/69/59/948936959.db2.gz NJQFUDHLRIJUAC-NWDGAFQWSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)(C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1)c1c[nH]cn1 ZINC001573771470 948942992 /nfs/dbraw/zinc/94/29/92/948942992.db2.gz ILNCNSATOYXXHL-GFCCVEGCSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)[C@@H](O)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573771847 948946213 /nfs/dbraw/zinc/94/62/13/948946213.db2.gz MLFAQPYWXYPMAV-CVEARBPZSA-N -1 3 382.424 0.750 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)[C@@H](O)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573771847 948946228 /nfs/dbraw/zinc/94/62/28/948946228.db2.gz MLFAQPYWXYPMAV-CVEARBPZSA-N -1 3 382.424 0.750 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001574687372 948949960 /nfs/dbraw/zinc/94/99/60/948949960.db2.gz OLXURAYKJQIAJB-SKDRFNHKSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001574687372 948949965 /nfs/dbraw/zinc/94/99/65/948949965.db2.gz OLXURAYKJQIAJB-SKDRFNHKSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCc1cn(C)nn1 ZINC001574687698 948951279 /nfs/dbraw/zinc/95/12/79/948951279.db2.gz QVBLPHBKFBPYEW-SNVBAGLBSA-N -1 3 388.411 0.469 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCc1cn(C)nn1 ZINC001574687698 948951293 /nfs/dbraw/zinc/95/12/93/948951293.db2.gz QVBLPHBKFBPYEW-SNVBAGLBSA-N -1 3 388.411 0.469 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574433362 948954119 /nfs/dbraw/zinc/95/41/19/948954119.db2.gz WFCPQUQMMMGNCR-TXEJJXNPSA-N -1 3 382.432 0.736 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574433362 948954124 /nfs/dbraw/zinc/95/41/24/948954124.db2.gz WFCPQUQMMMGNCR-TXEJJXNPSA-N -1 3 382.432 0.736 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001574688347 948958364 /nfs/dbraw/zinc/95/83/64/948958364.db2.gz UHYKZZQKZHLWRZ-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001574688347 948958372 /nfs/dbraw/zinc/95/83/72/948958372.db2.gz UHYKZZQKZHLWRZ-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001574688355 948958724 /nfs/dbraw/zinc/95/87/24/948958724.db2.gz UHYKZZQKZHLWRZ-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001574688355 948958732 /nfs/dbraw/zinc/95/87/32/948958732.db2.gz UHYKZZQKZHLWRZ-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001574688303 948958764 /nfs/dbraw/zinc/95/87/64/948958764.db2.gz STVGQMOQQQBMHC-MRVPVSSYSA-N -1 3 387.379 0.448 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001574688303 948958773 /nfs/dbraw/zinc/95/87/73/948958773.db2.gz STVGQMOQQQBMHC-MRVPVSSYSA-N -1 3 387.379 0.448 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574433622 948960533 /nfs/dbraw/zinc/96/05/33/948960533.db2.gz ZHFZKBXLRIZYEJ-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)c1nccn1CC(=O)NCC[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574433622 948960543 /nfs/dbraw/zinc/96/05/43/948960543.db2.gz ZHFZKBXLRIZYEJ-LBPRGKRZSA-N -1 3 384.448 0.984 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574433599 948960815 /nfs/dbraw/zinc/96/08/15/948960815.db2.gz YJHNRIKBBNQHCF-ZDUSSCGKSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CC1OCCO1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573772544 948962577 /nfs/dbraw/zinc/96/25/77/948962577.db2.gz UPNNIAUTMXXDFH-CYBMUJFWSA-N -1 3 379.392 0.524 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CC1OCCO1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573772544 948962586 /nfs/dbraw/zinc/96/25/86/948962586.db2.gz UPNNIAUTMXXDFH-CYBMUJFWSA-N -1 3 379.392 0.524 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573772614 948965697 /nfs/dbraw/zinc/96/56/97/948965697.db2.gz WCPMQDCMVDDQGD-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573772614 948965707 /nfs/dbraw/zinc/96/57/07/948965707.db2.gz WCPMQDCMVDDQGD-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1ccc(C(N)=O)o1 ZINC001574688749 948966484 /nfs/dbraw/zinc/96/64/84/948966484.db2.gz YNMWEOFIMFHBBB-MRVPVSSYSA-N -1 3 388.363 0.713 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1ccc(C(N)=O)o1 ZINC001574688749 948966500 /nfs/dbraw/zinc/96/65/00/948966500.db2.gz YNMWEOFIMFHBBB-MRVPVSSYSA-N -1 3 388.363 0.713 20 0 GCADHM CC(C)(C(=O)NC1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)c1c[nH]cn1 ZINC001573772764 948966942 /nfs/dbraw/zinc/96/69/42/948966942.db2.gz DPYAMEMWOHOIJV-UHFFFAOYSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)(C(=O)NC1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)c1c[nH]cn1 ZINC001573772764 948966949 /nfs/dbraw/zinc/96/69/49/948966949.db2.gz DPYAMEMWOHOIJV-UHFFFAOYSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574433974 948970123 /nfs/dbraw/zinc/97/01/23/948970123.db2.gz AXWJNXIKWBYGKV-NSHDSACASA-N -1 3 385.436 0.379 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574433974 948970135 /nfs/dbraw/zinc/97/01/35/948970135.db2.gz AXWJNXIKWBYGKV-NSHDSACASA-N -1 3 385.436 0.379 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574433905 948970455 /nfs/dbraw/zinc/97/04/55/948970455.db2.gz VFNWPWXMLCFHQN-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574433905 948970461 /nfs/dbraw/zinc/97/04/61/948970461.db2.gz VFNWPWXMLCFHQN-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574434030 948974506 /nfs/dbraw/zinc/97/45/06/948974506.db2.gz DDMPKCFANUCUCU-NSHDSACASA-N -1 3 385.436 0.379 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574434030 948974517 /nfs/dbraw/zinc/97/45/17/948974517.db2.gz DDMPKCFANUCUCU-NSHDSACASA-N -1 3 385.436 0.379 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCNC1=O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574925730 948976543 /nfs/dbraw/zinc/97/65/43/948976543.db2.gz CRVPHZGSCQXAOR-LLVKDONJSA-N -1 3 390.423 0.585 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCNC1=O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574925730 948976548 /nfs/dbraw/zinc/97/65/48/948976548.db2.gz CRVPHZGSCQXAOR-LLVKDONJSA-N -1 3 390.423 0.585 20 0 GCADHM C[C@@H](CNC(=O)CN(C)Cc1ccccc1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574925750 948976638 /nfs/dbraw/zinc/97/66/38/948976638.db2.gz DAUPZZOEFSLLCJ-ZDUSSCGKSA-N -1 3 381.444 0.705 20 0 GCADHM C[C@@H](CNC(=O)CN(C)Cc1ccccc1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574925750 948976649 /nfs/dbraw/zinc/97/66/49/948976649.db2.gz DAUPZZOEFSLLCJ-ZDUSSCGKSA-N -1 3 381.444 0.705 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)C(F)F ZINC001573773336 948979174 /nfs/dbraw/zinc/97/91/74/948979174.db2.gz LCCAEZHYAAJWIG-QWRGUYRKSA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)C(F)F ZINC001573773336 948979184 /nfs/dbraw/zinc/97/91/84/948979184.db2.gz LCCAEZHYAAJWIG-QWRGUYRKSA-N -1 3 381.387 0.609 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574090210 948979534 /nfs/dbraw/zinc/97/95/34/948979534.db2.gz LZQONMIDJAFCEH-SCLBCKFNSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574090210 948979553 /nfs/dbraw/zinc/97/95/53/948979553.db2.gz LZQONMIDJAFCEH-SCLBCKFNSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573773347 948979889 /nfs/dbraw/zinc/97/98/89/948979889.db2.gz LIBAXFGMXOQKEY-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573773347 948979899 /nfs/dbraw/zinc/97/98/99/948979899.db2.gz LIBAXFGMXOQKEY-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C1CC1 ZINC001573773295 948980104 /nfs/dbraw/zinc/98/01/04/948980104.db2.gz JNWLUUTZQZRHRJ-FZMZJTMJSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C1CC1 ZINC001573773295 948980112 /nfs/dbraw/zinc/98/01/12/948980112.db2.gz JNWLUUTZQZRHRJ-FZMZJTMJSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1)c1cccnc1 ZINC001573773402 948983335 /nfs/dbraw/zinc/98/33/35/948983335.db2.gz AUCCVSHWHZHCJG-CYBMUJFWSA-N -1 3 382.428 0.524 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1)c1cccnc1 ZINC001573773402 948983343 /nfs/dbraw/zinc/98/33/43/948983343.db2.gz AUCCVSHWHZHCJG-CYBMUJFWSA-N -1 3 382.428 0.524 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574689339 948983873 /nfs/dbraw/zinc/98/38/73/948983873.db2.gz GHFKNWWLAURTBI-LLVKDONJSA-N -1 3 380.412 0.981 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574689339 948983887 /nfs/dbraw/zinc/98/38/87/948983887.db2.gz GHFKNWWLAURTBI-LLVKDONJSA-N -1 3 380.412 0.981 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574689340 948985090 /nfs/dbraw/zinc/98/50/90/948985090.db2.gz GHFKNWWLAURTBI-NSHDSACASA-N -1 3 380.412 0.981 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1ccc(C(N)=O)cc1 ZINC001574689340 948985104 /nfs/dbraw/zinc/98/51/04/948985104.db2.gz GHFKNWWLAURTBI-NSHDSACASA-N -1 3 380.412 0.981 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cccnc1C(N)=O ZINC001574689558 948986679 /nfs/dbraw/zinc/98/66/79/948986679.db2.gz IOIIHYONWFZYSV-SNVBAGLBSA-N -1 3 381.400 0.376 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cccnc1C(N)=O ZINC001574689558 948986694 /nfs/dbraw/zinc/98/66/94/948986694.db2.gz IOIIHYONWFZYSV-SNVBAGLBSA-N -1 3 381.400 0.376 20 0 GCADHM CC(C)(C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1c[nH]cn1 ZINC001573773686 948988920 /nfs/dbraw/zinc/98/89/20/948988920.db2.gz DJXOSOBTOPZMKS-UHFFFAOYSA-N -1 3 383.416 0.274 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574090823 948996775 /nfs/dbraw/zinc/99/67/75/948996775.db2.gz JHUABNQPQNKQQT-CHWSQXEVSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574090823 948996786 /nfs/dbraw/zinc/99/67/86/948996786.db2.gz JHUABNQPQNKQQT-CHWSQXEVSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)c1nnc(CN[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001574435695 948998775 /nfs/dbraw/zinc/99/87/75/948998775.db2.gz YHQFZTZIJAIWEG-PHIMTYICSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnsc1C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574439216 949001004 /nfs/dbraw/zinc/00/10/04/949001004.db2.gz CUWIJLAEAIFGEH-UHFFFAOYSA-N -1 3 389.445 0.672 20 0 GCADHM CC(C)c1nnsc1C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574439216 949001017 /nfs/dbraw/zinc/00/10/17/949001017.db2.gz CUWIJLAEAIFGEH-UHFFFAOYSA-N -1 3 389.445 0.672 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574690689 949001820 /nfs/dbraw/zinc/00/18/20/949001820.db2.gz PRBVFQJKYMVRAB-LLVKDONJSA-N -1 3 382.432 0.738 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574690689 949001834 /nfs/dbraw/zinc/00/18/34/949001834.db2.gz PRBVFQJKYMVRAB-LLVKDONJSA-N -1 3 382.432 0.738 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573774152 949001694 /nfs/dbraw/zinc/00/16/94/949001694.db2.gz ROIGVNSIBFXWCZ-CYBMUJFWSA-N -1 3 386.460 0.067 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573774152 949001708 /nfs/dbraw/zinc/00/17/08/949001708.db2.gz ROIGVNSIBFXWCZ-CYBMUJFWSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574926439 949002293 /nfs/dbraw/zinc/00/22/93/949002293.db2.gz QHRUHGOOTIABCX-SNVBAGLBSA-N -1 3 376.396 0.330 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574926439 949002312 /nfs/dbraw/zinc/00/23/12/949002312.db2.gz QHRUHGOOTIABCX-SNVBAGLBSA-N -1 3 376.396 0.330 20 0 GCADHM CC(C)c1noc(CN2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574439249 949006047 /nfs/dbraw/zinc/00/60/47/949006047.db2.gz DNRXFDDNBFZGLW-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1noc(CN2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574439249 949006067 /nfs/dbraw/zinc/00/60/67/949006067.db2.gz DNRXFDDNBFZGLW-LLVKDONJSA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1noc(CN2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574439251 949009751 /nfs/dbraw/zinc/00/97/51/949009751.db2.gz DNRXFDDNBFZGLW-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM CC(C)c1noc(CN2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574439251 949009769 /nfs/dbraw/zinc/00/97/69/949009769.db2.gz DNRXFDDNBFZGLW-NSHDSACASA-N -1 3 385.432 0.953 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926631 949009842 /nfs/dbraw/zinc/00/98/42/949009842.db2.gz BGPXNEWMLYGNEB-LLVKDONJSA-N -1 3 390.423 0.728 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926631 949009858 /nfs/dbraw/zinc/00/98/58/949009858.db2.gz BGPXNEWMLYGNEB-LLVKDONJSA-N -1 3 390.423 0.728 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574926628 949012401 /nfs/dbraw/zinc/01/24/01/949012401.db2.gz BFOUKLWAPPSJAR-QMMMGPOBSA-N -1 3 378.824 0.358 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574926628 949012419 /nfs/dbraw/zinc/01/24/19/949012419.db2.gz BFOUKLWAPPSJAR-QMMMGPOBSA-N -1 3 378.824 0.358 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)n1 ZINC001574439565 949013708 /nfs/dbraw/zinc/01/37/08/949013708.db2.gz HNMPJQGDZDANOV-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)n1 ZINC001574439565 949013729 /nfs/dbraw/zinc/01/37/29/949013729.db2.gz HNMPJQGDZDANOV-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001574691251 949016029 /nfs/dbraw/zinc/01/60/29/949016029.db2.gz VMCVVRDUOBCVJW-LLVKDONJSA-N -1 3 385.436 0.379 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001574691251 949016046 /nfs/dbraw/zinc/01/60/46/949016046.db2.gz VMCVVRDUOBCVJW-LLVKDONJSA-N -1 3 385.436 0.379 20 0 GCADHM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001574691418 949019947 /nfs/dbraw/zinc/01/99/47/949019947.db2.gz XLJJBGDZPZLDIK-NXEZZACHSA-N -1 3 383.420 0.202 20 0 GCADHM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001574691418 949019968 /nfs/dbraw/zinc/01/99/68/949019968.db2.gz XLJJBGDZPZLDIK-NXEZZACHSA-N -1 3 383.420 0.202 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574440115 949022329 /nfs/dbraw/zinc/02/23/29/949022329.db2.gz NTEHPQHTMGAPGI-GXSJLCMTSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440115 949022352 /nfs/dbraw/zinc/02/23/52/949022352.db2.gz NTEHPQHTMGAPGI-GXSJLCMTSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)n1 ZINC001574440540 949028557 /nfs/dbraw/zinc/02/85/57/949028557.db2.gz REVUCFFFLPUELQ-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)n1 ZINC001574440540 949028578 /nfs/dbraw/zinc/02/85/78/949028578.db2.gz REVUCFFFLPUELQ-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)n1 ZINC001574440542 949029333 /nfs/dbraw/zinc/02/93/33/949029333.db2.gz REVUCFFFLPUELQ-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)n1 ZINC001574440542 949029356 /nfs/dbraw/zinc/02/93/56/949029356.db2.gz REVUCFFFLPUELQ-MFKMUULPSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574440830 949036837 /nfs/dbraw/zinc/03/68/37/949036837.db2.gz VTCHMEJSQNHAKA-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574440830 949036855 /nfs/dbraw/zinc/03/68/55/949036855.db2.gz VTCHMEJSQNHAKA-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574440789 949037910 /nfs/dbraw/zinc/03/79/10/949037910.db2.gz UKYKBMKIMAZLKT-JTQLQIEISA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574440789 949037940 /nfs/dbraw/zinc/03/79/40/949037940.db2.gz UKYKBMKIMAZLKT-JTQLQIEISA-N -1 3 389.445 0.439 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575503046 949040108 /nfs/dbraw/zinc/04/01/08/949040108.db2.gz NKNLATOFCQMWJR-TZMCWYRMSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575503046 949040128 /nfs/dbraw/zinc/04/01/28/949040128.db2.gz NKNLATOFCQMWJR-TZMCWYRMSA-N -1 3 380.412 0.819 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574091923 949040870 /nfs/dbraw/zinc/04/08/70/949040870.db2.gz PWPDQBCAFLTFSE-QWHCGFSZSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574091923 949040887 /nfs/dbraw/zinc/04/08/87/949040887.db2.gz PWPDQBCAFLTFSE-QWHCGFSZSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)(C(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)c1c[nH]cn1 ZINC001573775453 949041551 /nfs/dbraw/zinc/04/15/51/949041551.db2.gz WUXJMEGNIBFOST-NSHDSACASA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)c1c[nH]cn1 ZINC001573775453 949041571 /nfs/dbraw/zinc/04/15/71/949041571.db2.gz WUXJMEGNIBFOST-NSHDSACASA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440888 949042072 /nfs/dbraw/zinc/04/20/72/949042072.db2.gz YGIFXFWVTDUMPX-KOLCDFICSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440888 949042096 /nfs/dbraw/zinc/04/20/96/949042096.db2.gz YGIFXFWVTDUMPX-KOLCDFICSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574440903 949043683 /nfs/dbraw/zinc/04/36/83/949043683.db2.gz YMBQRAKSNANKLE-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574440903 949043701 /nfs/dbraw/zinc/04/37/01/949043701.db2.gz YMBQRAKSNANKLE-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574440892 949043739 /nfs/dbraw/zinc/04/37/39/949043739.db2.gz YHOSOJCBHMAYLQ-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574440892 949043758 /nfs/dbraw/zinc/04/37/58/949043758.db2.gz YHOSOJCBHMAYLQ-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574092191 949049995 /nfs/dbraw/zinc/04/99/95/949049995.db2.gz QRAZJGLRTJCOTQ-STQMWFEESA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574092191 949050017 /nfs/dbraw/zinc/05/00/17/949050017.db2.gz QRAZJGLRTJCOTQ-STQMWFEESA-N -1 3 375.433 0.038 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574927912 949050898 /nfs/dbraw/zinc/05/08/98/949050898.db2.gz MLJSNQRBKBEEKX-JTQLQIEISA-N -1 3 375.408 0.473 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574927912 949050915 /nfs/dbraw/zinc/05/09/15/949050915.db2.gz MLJSNQRBKBEEKX-JTQLQIEISA-N -1 3 375.408 0.473 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(F)F ZINC001573779037 949055084 /nfs/dbraw/zinc/05/50/84/949055084.db2.gz DDFWSWGWALRUPA-MRXNPFEDSA-N -1 3 381.387 0.610 20 0 GCADHM CC(C)(C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(F)F ZINC001573779037 949055099 /nfs/dbraw/zinc/05/50/99/949055099.db2.gz DDFWSWGWALRUPA-MRXNPFEDSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ncccc1-c1nnn[n-]1 ZINC001574928601 949059754 /nfs/dbraw/zinc/05/97/54/949059754.db2.gz PMJMHIVVNFQBFT-GFCCVEGCSA-N -1 3 388.476 0.978 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ncccc1-c1nn[n-]n1 ZINC001574928601 949059776 /nfs/dbraw/zinc/05/97/76/949059776.db2.gz PMJMHIVVNFQBFT-GFCCVEGCSA-N -1 3 388.476 0.978 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575504058 949059982 /nfs/dbraw/zinc/05/99/82/949059982.db2.gz RHYSGQASDQVMQK-WCQYABFASA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575504058 949060001 /nfs/dbraw/zinc/06/00/01/949060001.db2.gz RHYSGQASDQVMQK-WCQYABFASA-N -1 3 384.400 0.013 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574928669 949064136 /nfs/dbraw/zinc/06/41/36/949064136.db2.gz QCZGQIIAKCNJNH-JTQLQIEISA-N -1 3 386.441 0.670 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574928669 949064154 /nfs/dbraw/zinc/06/41/54/949064154.db2.gz QCZGQIIAKCNJNH-JTQLQIEISA-N -1 3 386.441 0.670 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574693792 949064510 /nfs/dbraw/zinc/06/45/10/949064510.db2.gz JKCOGIDBLQXYSH-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574693792 949064528 /nfs/dbraw/zinc/06/45/28/949064528.db2.gz JKCOGIDBLQXYSH-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC/C=C\CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575248258 949065791 /nfs/dbraw/zinc/06/57/91/949065791.db2.gz QBTQRHQYLCRXND-FJOGCWAESA-N -1 3 386.460 0.897 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC/C=C\CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575248258 949065806 /nfs/dbraw/zinc/06/58/06/949065806.db2.gz QBTQRHQYLCRXND-FJOGCWAESA-N -1 3 386.460 0.897 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001575504375 949066688 /nfs/dbraw/zinc/06/66/88/949066688.db2.gz QVKKIPBSQHNFPN-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001575504375 949066705 /nfs/dbraw/zinc/06/67/05/949066705.db2.gz QVKKIPBSQHNFPN-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN1Cc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001573779628 949067491 /nfs/dbraw/zinc/06/74/91/949067491.db2.gz KYNZQRQOCAGSOO-AWEZNQCLSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573779628 949067511 /nfs/dbraw/zinc/06/75/11/949067511.db2.gz KYNZQRQOCAGSOO-AWEZNQCLSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](CCO)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574694397 949072706 /nfs/dbraw/zinc/07/27/06/949072706.db2.gz OPSJQUHQQDKQEA-CYBMUJFWSA-N -1 3 388.476 0.938 20 0 GCADHM C[C@@H](CCO)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574694397 949072718 /nfs/dbraw/zinc/07/27/18/949072718.db2.gz OPSJQUHQQDKQEA-CYBMUJFWSA-N -1 3 388.476 0.938 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCCN1c1cnc(-c2nnn[n-]2)cn1)c1c[nH]cn1 ZINC001573779712 949073747 /nfs/dbraw/zinc/07/37/47/949073747.db2.gz MWKMTXVEHQVAQV-LLVKDONJSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)c1c[nH]cn1 ZINC001573779712 949073768 /nfs/dbraw/zinc/07/37/68/949073768.db2.gz MWKMTXVEHQVAQV-LLVKDONJSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574092816 949077544 /nfs/dbraw/zinc/07/75/44/949077544.db2.gz SVVPGKRUDZCLQB-QWHCGFSZSA-N -1 3 376.486 0.883 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1c[nH]cn1 ZINC001573780075 949079400 /nfs/dbraw/zinc/07/94/00/949079400.db2.gz RAJDAPXVNGYXGT-NSHDSACASA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)c1c[nH]cn1 ZINC001573780074 949080490 /nfs/dbraw/zinc/08/04/90/949080490.db2.gz RAJDAPXVNGYXGT-LLVKDONJSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)c1nocc1C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574441924 949081598 /nfs/dbraw/zinc/08/15/98/949081598.db2.gz FKUCIYGOAUCWPF-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1nocc1C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574441924 949081613 /nfs/dbraw/zinc/08/16/13/949081613.db2.gz FKUCIYGOAUCWPF-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574929472 949092380 /nfs/dbraw/zinc/09/23/80/949092380.db2.gz DWIWHDGASNXGKT-WFASDCNBSA-N -1 3 392.435 0.748 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574929472 949092361 /nfs/dbraw/zinc/09/23/61/949092361.db2.gz DWIWHDGASNXGKT-WFASDCNBSA-N -1 3 392.435 0.748 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccncc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574929304 949093047 /nfs/dbraw/zinc/09/30/47/949093047.db2.gz CNXKDRZJEXFJQB-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccncc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929304 949093067 /nfs/dbraw/zinc/09/30/67/949093067.db2.gz CNXKDRZJEXFJQB-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM CC(C)c1nocc1C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001574442450 949094613 /nfs/dbraw/zinc/09/46/13/949094613.db2.gz PLNBSRHUTWXZRG-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM CC(C)c1nocc1C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001574442450 949094632 /nfs/dbraw/zinc/09/46/32/949094632.db2.gz PLNBSRHUTWXZRG-UHFFFAOYSA-N -1 3 386.416 0.920 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001575504909 949095727 /nfs/dbraw/zinc/09/57/27/949095727.db2.gz YSXIWAIEDSVTII-IHRRRGAJSA-N -1 3 392.423 0.914 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001575504909 949095747 /nfs/dbraw/zinc/09/57/47/949095747.db2.gz YSXIWAIEDSVTII-IHRRRGAJSA-N -1 3 392.423 0.914 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574442379 949097569 /nfs/dbraw/zinc/09/75/69/949097569.db2.gz NEASIJVBKMOEEO-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574442379 949097583 /nfs/dbraw/zinc/09/75/83/949097583.db2.gz NEASIJVBKMOEEO-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC001573781418 949102517 /nfs/dbraw/zinc/10/25/17/949102517.db2.gz GHUPYJJLYLXNGD-ARJAWSKDSA-N -1 3 386.460 0.457 20 0 GCADHM CC(C)(C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC001573781418 949102531 /nfs/dbraw/zinc/10/25/31/949102531.db2.gz GHUPYJJLYLXNGD-ARJAWSKDSA-N -1 3 386.460 0.457 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574443109 949103638 /nfs/dbraw/zinc/10/36/38/949103638.db2.gz VBUQXJXIFDWVJU-LLVKDONJSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574443109 949103649 /nfs/dbraw/zinc/10/36/49/949103649.db2.gz VBUQXJXIFDWVJU-LLVKDONJSA-N -1 3 386.416 0.918 20 0 GCADHM C[C@@H](CNC(=O)COC1CCCC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574930627 949104629 /nfs/dbraw/zinc/10/46/29/949104629.db2.gz KTZKXDDDCLNACN-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)COC1CCCC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574930627 949104645 /nfs/dbraw/zinc/10/46/45/949104645.db2.gz KTZKXDDDCLNACN-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)c1nocc1C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574443297 949108324 /nfs/dbraw/zinc/10/83/24/949108324.db2.gz WYYOWWKOROFAJX-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1nocc1C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574443297 949108336 /nfs/dbraw/zinc/10/83/36/949108336.db2.gz WYYOWWKOROFAJX-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574443289 949109214 /nfs/dbraw/zinc/10/92/14/949109214.db2.gz WYUFCDUZRGKBAW-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574443289 949109233 /nfs/dbraw/zinc/10/92/33/949109233.db2.gz WYUFCDUZRGKBAW-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001575250322 949109314 /nfs/dbraw/zinc/10/93/14/949109314.db2.gz DRHDUISALRWWMC-WDEREUQCSA-N -1 3 387.473 0.717 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574446004 949115950 /nfs/dbraw/zinc/11/59/50/949115950.db2.gz FERTZUWJAZRIHP-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574446004 949115963 /nfs/dbraw/zinc/11/59/63/949115963.db2.gz FERTZUWJAZRIHP-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574931518 949117313 /nfs/dbraw/zinc/11/73/13/949117313.db2.gz QCXDTZLAOQZDPP-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574931518 949117321 /nfs/dbraw/zinc/11/73/21/949117321.db2.gz QCXDTZLAOQZDPP-NSHDSACASA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575250728 949117563 /nfs/dbraw/zinc/11/75/63/949117563.db2.gz HEAQHKZJTMGFQH-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)C1(C(F)F)CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575250728 949117570 /nfs/dbraw/zinc/11/75/70/949117570.db2.gz HEAQHKZJTMGFQH-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574931696 949121106 /nfs/dbraw/zinc/12/11/06/949121106.db2.gz QWLICLYASAOFSK-DOMZBBRYSA-N -1 3 392.435 0.748 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573782347 949121624 /nfs/dbraw/zinc/12/16/24/949121624.db2.gz SIWCAMZALDSZIZ-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573782347 949121636 /nfs/dbraw/zinc/12/16/36/949121636.db2.gz SIWCAMZALDSZIZ-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574931749 949121817 /nfs/dbraw/zinc/12/18/17/949121817.db2.gz RSHDWRVLBYMNSW-OCCSQVGLSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574931749 949121828 /nfs/dbraw/zinc/12/18/28/949121828.db2.gz RSHDWRVLBYMNSW-OCCSQVGLSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573782496 949123438 /nfs/dbraw/zinc/12/34/38/949123438.db2.gz VDUFUJLXLYOXTJ-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573782496 949123445 /nfs/dbraw/zinc/12/34/45/949123445.db2.gz VDUFUJLXLYOXTJ-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575251043 949126481 /nfs/dbraw/zinc/12/64/81/949126481.db2.gz KIVWSQIOKDVLEH-DRZSPHRISA-N -1 3 386.460 0.872 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575251043 949126492 /nfs/dbraw/zinc/12/64/92/949126492.db2.gz KIVWSQIOKDVLEH-DRZSPHRISA-N -1 3 386.460 0.872 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574094008 949129332 /nfs/dbraw/zinc/12/93/32/949129332.db2.gz UVMQQERYMWRJHF-VXGBXAGGSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574094008 949129349 /nfs/dbraw/zinc/12/93/49/949129349.db2.gz UVMQQERYMWRJHF-VXGBXAGGSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574932103 949129616 /nfs/dbraw/zinc/12/96/16/949129616.db2.gz VDGGMDMVURCIDM-CMPLNLGQSA-N -1 3 379.396 0.513 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574932103 949129633 /nfs/dbraw/zinc/12/96/33/949129633.db2.gz VDGGMDMVURCIDM-CMPLNLGQSA-N -1 3 379.396 0.513 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574094229 949130947 /nfs/dbraw/zinc/13/09/47/949130947.db2.gz YEZKWAZIUFKAEY-JKSUJKDBSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574094229 949130958 /nfs/dbraw/zinc/13/09/58/949130958.db2.gz YEZKWAZIUFKAEY-JKSUJKDBSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)(C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573782840 949133339 /nfs/dbraw/zinc/13/33/39/949133339.db2.gz YUGHDMQCGBNVDG-UHFFFAOYSA-N -1 3 385.350 0.972 20 0 GCADHM CC(C)(C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573782840 949133354 /nfs/dbraw/zinc/13/33/54/949133354.db2.gz YUGHDMQCGBNVDG-UHFFFAOYSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](c1ccccc1)[C@H](O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575512197 949138027 /nfs/dbraw/zinc/13/80/27/949138027.db2.gz NCEUUDXPYFJGNF-SJKOYZFVSA-N -1 3 381.440 0.773 20 0 GCADHM C[C@](CNC(=O)COCC1CC1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574932388 949142494 /nfs/dbraw/zinc/14/24/94/949142494.db2.gz YYOKZWFUUZFUDJ-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)COCC1CC1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574932388 949142510 /nfs/dbraw/zinc/14/25/10/949142510.db2.gz YYOKZWFUUZFUDJ-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)c1ocnc1C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574446929 949145585 /nfs/dbraw/zinc/14/55/85/949145585.db2.gz BKRFGRSBFAAQEV-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1ocnc1C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574446929 949145602 /nfs/dbraw/zinc/14/56/02/949145602.db2.gz BKRFGRSBFAAQEV-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574446886 949146469 /nfs/dbraw/zinc/14/64/69/949146469.db2.gz ZKWOIAFTXUUOTH-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574446886 949146479 /nfs/dbraw/zinc/14/64/79/949146479.db2.gz ZKWOIAFTXUUOTH-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934020 949146435 /nfs/dbraw/zinc/14/64/35/949146435.db2.gz APNFSVCIKZBNKV-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934020 949146447 /nfs/dbraw/zinc/14/64/47/949146447.db2.gz APNFSVCIKZBNKV-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574934213 949148986 /nfs/dbraw/zinc/14/89/86/949148986.db2.gz CMBZEPADLCNQPJ-GFCCVEGCSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574934213 949148996 /nfs/dbraw/zinc/14/89/96/949148996.db2.gz CMBZEPADLCNQPJ-GFCCVEGCSA-N -1 3 385.432 0.153 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)C1CC1 ZINC001573786876 949149188 /nfs/dbraw/zinc/14/91/88/949149188.db2.gz ATZDESMIGNSWHO-CHWSQXEVSA-N -1 3 375.408 0.503 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)C1CC1 ZINC001573786876 949149201 /nfs/dbraw/zinc/14/92/01/949149201.db2.gz ATZDESMIGNSWHO-CHWSQXEVSA-N -1 3 375.408 0.503 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574446970 949151151 /nfs/dbraw/zinc/15/11/51/949151151.db2.gz DJLSEKRMDUJMNT-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574446970 949151161 /nfs/dbraw/zinc/15/11/61/949151161.db2.gz DJLSEKRMDUJMNT-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575251984 949152979 /nfs/dbraw/zinc/15/29/79/949152979.db2.gz DFMHCGDPSYOKSR-WDEREUQCSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](NC(=O)C1(CF)CC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575251984 949152971 /nfs/dbraw/zinc/15/29/71/949152971.db2.gz DFMHCGDPSYOKSR-WDEREUQCSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575251980 949153131 /nfs/dbraw/zinc/15/31/31/949153131.db2.gz DFMHCGDPSYOKSR-MNOVXSKESA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575251980 949153118 /nfs/dbraw/zinc/15/31/18/949153118.db2.gz DFMHCGDPSYOKSR-MNOVXSKESA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)c1c[nH]cn1 ZINC001573787020 949158110 /nfs/dbraw/zinc/15/81/10/949158110.db2.gz JRRXHAARLXCJQW-JYAVWHMHSA-N -1 3 379.428 0.513 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574697767 949158591 /nfs/dbraw/zinc/15/85/91/949158591.db2.gz BQPKTURSGBDYKK-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574697767 949158602 /nfs/dbraw/zinc/15/86/02/949158602.db2.gz BQPKTURSGBDYKK-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575514067 949159799 /nfs/dbraw/zinc/15/97/99/949159799.db2.gz VBNSPQANFFTETK-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575514067 949159815 /nfs/dbraw/zinc/15/98/15/949159815.db2.gz VBNSPQANFFTETK-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574447528 949161173 /nfs/dbraw/zinc/16/11/73/949161173.db2.gz RMTOESGZRILZRZ-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574447528 949161185 /nfs/dbraw/zinc/16/11/85/949161185.db2.gz RMTOESGZRILZRZ-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574697941 949168830 /nfs/dbraw/zinc/16/88/30/949168830.db2.gz DHKZRYSVZOFOSK-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)c1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574697941 949168839 /nfs/dbraw/zinc/16/88/39/949168839.db2.gz DHKZRYSVZOFOSK-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001575252706 949169258 /nfs/dbraw/zinc/16/92/58/949169258.db2.gz RBXKTTNRDNNNFE-WDEREUQCSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001575252706 949169272 /nfs/dbraw/zinc/16/92/72/949169272.db2.gz RBXKTTNRDNNNFE-WDEREUQCSA-N -1 3 383.416 0.229 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574447715 949170680 /nfs/dbraw/zinc/17/06/80/949170680.db2.gz YMTIQBVROCPUKK-SNVBAGLBSA-N -1 3 390.379 0.715 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574447715 949170695 /nfs/dbraw/zinc/17/06/95/949170695.db2.gz YMTIQBVROCPUKK-SNVBAGLBSA-N -1 3 390.379 0.715 20 0 GCADHM C[C@H](NC(=O)C(C)(F)F)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252800 949171412 /nfs/dbraw/zinc/17/14/12/949171412.db2.gz RHRSSBDROWCXCH-KWQFWETISA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H](NC(=O)C(C)(F)F)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252800 949171397 /nfs/dbraw/zinc/17/13/97/949171397.db2.gz RHRSSBDROWCXCH-KWQFWETISA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934727 949175438 /nfs/dbraw/zinc/17/54/38/949175438.db2.gz PHTKPRADVJXHJK-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934727 949175451 /nfs/dbraw/zinc/17/54/51/949175451.db2.gz PHTKPRADVJXHJK-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](c1cccc(F)c1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575514901 949176689 /nfs/dbraw/zinc/17/66/89/949176689.db2.gz ZVVVJGYWHAKIPA-UHNFBRDESA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](c1cccc(F)c1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575514901 949176695 /nfs/dbraw/zinc/17/66/95/949176695.db2.gz ZVVVJGYWHAKIPA-UHNFBRDESA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575253426 949186815 /nfs/dbraw/zinc/18/68/15/949186815.db2.gz TZMIKRNWYDZXDK-MFKMUULPSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575253426 949186800 /nfs/dbraw/zinc/18/68/00/949186800.db2.gz TZMIKRNWYDZXDK-MFKMUULPSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574448822 949190761 /nfs/dbraw/zinc/19/07/61/949190761.db2.gz MTHOLJLYADAIRJ-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574448822 949190778 /nfs/dbraw/zinc/19/07/78/949190778.db2.gz MTHOLJLYADAIRJ-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM C[C@H](NC(=O)[C@H](C)n1cccc1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575253534 949191049 /nfs/dbraw/zinc/19/10/49/949191049.db2.gz URMQTDGHHFXJAQ-RYUDHWBXSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@H](NC(=O)[C@H](C)n1cccc1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575253534 949191038 /nfs/dbraw/zinc/19/10/38/949191038.db2.gz URMQTDGHHFXJAQ-RYUDHWBXSA-N -1 3 382.428 0.834 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001574935061 949192016 /nfs/dbraw/zinc/19/20/16/949192016.db2.gz YIRTTWYMYMKIEB-NSHDSACASA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001574935061 949192020 /nfs/dbraw/zinc/19/20/20/949192020.db2.gz YIRTTWYMYMKIEB-NSHDSACASA-N -1 3 381.462 0.249 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574698436 949192191 /nfs/dbraw/zinc/19/21/91/949192191.db2.gz KRTTYFPICYFVFV-MNOVXSKESA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574698436 949192198 /nfs/dbraw/zinc/19/21/98/949192198.db2.gz KRTTYFPICYFVFV-MNOVXSKESA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574935068 949192453 /nfs/dbraw/zinc/19/24/53/949192453.db2.gz YKLKXYNTNPGYII-JTQLQIEISA-N -1 3 389.441 0.817 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574935068 949192461 /nfs/dbraw/zinc/19/24/61/949192461.db2.gz YKLKXYNTNPGYII-JTQLQIEISA-N -1 3 389.441 0.817 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574698392 949192760 /nfs/dbraw/zinc/19/27/60/949192760.db2.gz KDADBHNZOOEUJA-RKDXNWHRSA-N -1 3 385.425 0.093 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574698392 949192770 /nfs/dbraw/zinc/19/27/70/949192770.db2.gz KDADBHNZOOEUJA-RKDXNWHRSA-N -1 3 385.425 0.093 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(F)cn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574935347 949194178 /nfs/dbraw/zinc/19/41/78/949194178.db2.gz ANBQRENPOYNFQA-JTQLQIEISA-N -1 3 386.391 0.454 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(F)cn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574935347 949194189 /nfs/dbraw/zinc/19/41/89/949194189.db2.gz ANBQRENPOYNFQA-JTQLQIEISA-N -1 3 386.391 0.454 20 0 GCADHM C[C@H](c1ccccc1F)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575515816 949195050 /nfs/dbraw/zinc/19/50/50/949195050.db2.gz KVSUNJFQDNSFAI-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](c1ccccc1F)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575515816 949195071 /nfs/dbraw/zinc/19/50/71/949195071.db2.gz KVSUNJFQDNSFAI-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574935128 949196284 /nfs/dbraw/zinc/19/62/84/949196284.db2.gz ZVHNGLYRCBEQJS-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574935128 949196301 /nfs/dbraw/zinc/19/63/01/949196301.db2.gz ZVHNGLYRCBEQJS-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574935434 949201695 /nfs/dbraw/zinc/20/16/95/949201695.db2.gz CEJFWNWDQKJTEC-LLVKDONJSA-N -1 3 380.412 0.520 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574935434 949201712 /nfs/dbraw/zinc/20/17/12/949201712.db2.gz CEJFWNWDQKJTEC-LLVKDONJSA-N -1 3 380.412 0.520 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001573788621 949206118 /nfs/dbraw/zinc/20/61/18/949206118.db2.gz PMPIOJKKMKHEHY-BETUJISGSA-N -1 3 384.444 0.343 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001573788621 949206138 /nfs/dbraw/zinc/20/61/38/949206138.db2.gz PMPIOJKKMKHEHY-BETUJISGSA-N -1 3 384.444 0.343 20 0 GCADHM C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574698800 949207536 /nfs/dbraw/zinc/20/75/36/949207536.db2.gz OUOMYFSPRMICSX-KGLIPLIRSA-N -1 3 388.476 0.489 20 0 GCADHM CC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCN(C(=O)CCNC(N)=O)CC1 ZINC001575853242 949209039 /nfs/dbraw/zinc/20/90/39/949209039.db2.gz NSZORBJEYOOYOD-UHFFFAOYSA-N -1 3 391.411 0.252 20 0 GCADHM CC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCN(C(=O)CCNC(N)=O)CC1 ZINC001575853242 949209056 /nfs/dbraw/zinc/20/90/56/949209056.db2.gz NSZORBJEYOOYOD-UHFFFAOYSA-N -1 3 391.411 0.252 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576151219 949210303 /nfs/dbraw/zinc/21/03/03/949210303.db2.gz DSBFTRJUOXJJGR-KPZWWZAWSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576151219 949210322 /nfs/dbraw/zinc/21/03/22/949210322.db2.gz DSBFTRJUOXJJGR-KPZWWZAWSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574451065 949211215 /nfs/dbraw/zinc/21/12/15/949211215.db2.gz AHHCUZLFWBMWNO-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574451065 949211236 /nfs/dbraw/zinc/21/12/36/949211236.db2.gz AHHCUZLFWBMWNO-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)CC(=O)N1CC(N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001574102904 949212679 /nfs/dbraw/zinc/21/26/79/949212679.db2.gz FXYFQCWTXMFHIG-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)CC(=O)N1CC(N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001574102904 949212699 /nfs/dbraw/zinc/21/26/99/949212699.db2.gz FXYFQCWTXMFHIG-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM C[C@H](NC(=O)C1(F)CCOCC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575255086 949222591 /nfs/dbraw/zinc/22/25/91/949222591.db2.gz PGJTYNWFDGYEIB-JTQLQIEISA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](NC(=O)C1(F)CCOCC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575255086 949222614 /nfs/dbraw/zinc/22/26/14/949222614.db2.gz PGJTYNWFDGYEIB-JTQLQIEISA-N -1 3 391.407 0.290 20 0 GCADHM CC(C)(C)C(=O)N1CCC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573791743 949223997 /nfs/dbraw/zinc/22/39/97/949223997.db2.gz DXRVLSYNEIFDLE-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CCC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573791743 949224017 /nfs/dbraw/zinc/22/40/17/949224017.db2.gz DXRVLSYNEIFDLE-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC1(Nc2ncccc2-c2nnn[n-]2)CCN(C(=O)CNC(=O)C2CC2)CC1 ZINC001575854010 949226429 /nfs/dbraw/zinc/22/64/29/949226429.db2.gz YJOMFSROWQXKLT-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM CC1(Nc2ncccc2-c2nn[n-]n2)CCN(C(=O)CNC(=O)C2CC2)CC1 ZINC001575854010 949226448 /nfs/dbraw/zinc/22/64/48/949226448.db2.gz YJOMFSROWQXKLT-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM CC[C@]1(C(=O)[O-])CCCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC001589604730 949229901 /nfs/dbraw/zinc/22/99/01/949229901.db2.gz FSEAQNPYGVUOMQ-KRWDZBQOSA-N -1 3 391.534 0.740 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575255372 949230323 /nfs/dbraw/zinc/23/03/23/949230323.db2.gz PVUUELOYJHTUGY-LLVKDONJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCOCC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575255372 949230341 /nfs/dbraw/zinc/23/03/41/949230341.db2.gz PVUUELOYJHTUGY-LLVKDONJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574699403 949236023 /nfs/dbraw/zinc/23/60/23/949236023.db2.gz ULXVYIQTLCSQEO-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574699403 949236050 /nfs/dbraw/zinc/23/60/50/949236050.db2.gz ULXVYIQTLCSQEO-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574451746 949244243 /nfs/dbraw/zinc/24/42/43/949244243.db2.gz WUBBAWGVIRXETE-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574451746 949244264 /nfs/dbraw/zinc/24/42/64/949244264.db2.gz WUBBAWGVIRXETE-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575520958 949244837 /nfs/dbraw/zinc/24/48/37/949244837.db2.gz BARFCOUEWYFFBH-PDEGPIFNSA-N -1 3 385.457 0.715 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575520958 949244859 /nfs/dbraw/zinc/24/48/59/949244859.db2.gz BARFCOUEWYFFBH-PDEGPIFNSA-N -1 3 385.457 0.715 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575520960 949246092 /nfs/dbraw/zinc/24/60/92/949246092.db2.gz BCFMYNOOGPTSJZ-JTQLQIEISA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575520960 949246111 /nfs/dbraw/zinc/24/61/11/949246111.db2.gz BCFMYNOOGPTSJZ-JTQLQIEISA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1ncccn1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521160 949251402 /nfs/dbraw/zinc/25/14/02/949251402.db2.gz DBDHBBSFXUZXOC-NEPJUHHUSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@H](c1ncccn1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521160 949251418 /nfs/dbraw/zinc/25/14/18/949251418.db2.gz DBDHBBSFXUZXOC-NEPJUHHUSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@H](CNC(=O)Cc1c(F)cccc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574938724 949251887 /nfs/dbraw/zinc/25/18/87/949251887.db2.gz ZQCXKJRKKKZALL-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1c(F)cccc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574938724 949251904 /nfs/dbraw/zinc/25/19/04/949251904.db2.gz ZQCXKJRKKKZALL-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC1(CCO)CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573792590 949255327 /nfs/dbraw/zinc/25/53/27/949255327.db2.gz BLGSYIWXYNAYEY-UHFFFAOYSA-N -1 3 386.456 0.535 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC1(CCO)CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573792590 949255347 /nfs/dbraw/zinc/25/53/47/949255347.db2.gz BLGSYIWXYNAYEY-UHFFFAOYSA-N -1 3 386.456 0.535 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521533 949256454 /nfs/dbraw/zinc/25/64/54/949256454.db2.gz GHVXFYMKPNHOMS-QWRGUYRKSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521533 949256470 /nfs/dbraw/zinc/25/64/70/949256470.db2.gz GHVXFYMKPNHOMS-QWRGUYRKSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1cnccn1)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575521918 949261342 /nfs/dbraw/zinc/26/13/42/949261342.db2.gz ICEGDGGCNHRHNL-BFQNTYOBSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@H](c1ncccn1)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001575521916 949264888 /nfs/dbraw/zinc/26/48/88/949264888.db2.gz IBPYFCWGOLIGOM-BNOWGMLFSA-N -1 3 379.428 0.750 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001574452846 949267594 /nfs/dbraw/zinc/26/75/94/949267594.db2.gz NZGREQLBPOWTEK-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001574452846 949267617 /nfs/dbraw/zinc/26/76/17/949267617.db2.gz NZGREQLBPOWTEK-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575521960 949267534 /nfs/dbraw/zinc/26/75/34/949267534.db2.gz JHYYCTUSLUSUFW-LLVKDONJSA-N -1 3 384.448 0.669 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575521960 949267549 /nfs/dbraw/zinc/26/75/49/949267549.db2.gz JHYYCTUSLUSUFW-LLVKDONJSA-N -1 3 384.448 0.669 20 0 GCADHM C[C@@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574701812 949268060 /nfs/dbraw/zinc/26/80/60/949268060.db2.gz DYLCXYNKLAHOOY-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574701812 949268080 /nfs/dbraw/zinc/26/80/80/949268080.db2.gz DYLCXYNKLAHOOY-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575522007 949268298 /nfs/dbraw/zinc/26/82/98/949268298.db2.gz JPONCRHOVNLNJC-RYUDHWBXSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@@H](c1nncn1C)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575522007 949268318 /nfs/dbraw/zinc/26/83/18/949268318.db2.gz JPONCRHOVNLNJC-RYUDHWBXSA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001574452830 949268926 /nfs/dbraw/zinc/26/89/26/949268926.db2.gz NPDBFZQHTAKSHQ-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001574452830 949268948 /nfs/dbraw/zinc/26/89/48/949268948.db2.gz NPDBFZQHTAKSHQ-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575257185 949269262 /nfs/dbraw/zinc/26/92/62/949269262.db2.gz YSZHQKVMMVZYHI-SNVBAGLBSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CCC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575257185 949269280 /nfs/dbraw/zinc/26/92/80/949269280.db2.gz YSZHQKVMMVZYHI-SNVBAGLBSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573792858 949269325 /nfs/dbraw/zinc/26/93/25/949269325.db2.gz GHJAJOMNUOBPBJ-LSDHHAIUSA-N -1 3 386.456 0.533 20 0 GCADHM C[C@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574940747 949271390 /nfs/dbraw/zinc/27/13/90/949271390.db2.gz JPPDOOQPIAMGAF-GOSISDBHSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574940747 949271411 /nfs/dbraw/zinc/27/14/11/949271411.db2.gz JPPDOOQPIAMGAF-GOSISDBHSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575522485 949272933 /nfs/dbraw/zinc/27/29/33/949272933.db2.gz MBGNSYDINKRXKK-KOLCDFICSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575522485 949272951 /nfs/dbraw/zinc/27/29/51/949272951.db2.gz MBGNSYDINKRXKK-KOLCDFICSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575522381 949273562 /nfs/dbraw/zinc/27/35/62/949273562.db2.gz KYGJVEVZKDJSNE-LLVKDONJSA-N -1 3 384.448 0.526 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575522381 949273582 /nfs/dbraw/zinc/27/35/82/949273582.db2.gz KYGJVEVZKDJSNE-LLVKDONJSA-N -1 3 384.448 0.526 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574702090 949273797 /nfs/dbraw/zinc/27/37/97/949273797.db2.gz GMUHHBFUFKYOKA-MFKMUULPSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](NC(N)=O)C(C)(C)C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574702090 949273811 /nfs/dbraw/zinc/27/38/11/949273811.db2.gz GMUHHBFUFKYOKA-MFKMUULPSA-N -1 3 389.464 0.604 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001574452936 949274288 /nfs/dbraw/zinc/27/42/88/949274288.db2.gz RSPBBFUOBGKKNA-AWEZNQCLSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001574452936 949274309 /nfs/dbraw/zinc/27/43/09/949274309.db2.gz RSPBBFUOBGKKNA-AWEZNQCLSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573792880 949274481 /nfs/dbraw/zinc/27/44/81/949274481.db2.gz HJKKZOISXGYZFO-QWRGUYRKSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573792880 949274500 /nfs/dbraw/zinc/27/45/00/949274500.db2.gz HJKKZOISXGYZFO-QWRGUYRKSA-N -1 3 387.444 0.825 20 0 GCADHM C[C@@H](c1cnccn1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575522408 949276055 /nfs/dbraw/zinc/27/60/55/949276055.db2.gz LETYMUMDOROXQD-HWWQOWPSSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@@H](c1cnccn1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575522408 949276074 /nfs/dbraw/zinc/27/60/74/949276074.db2.gz LETYMUMDOROXQD-HWWQOWPSSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522933 949280003 /nfs/dbraw/zinc/28/00/03/949280003.db2.gz NKSNMZCZZXEFLB-NWDGAFQWSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522933 949280024 /nfs/dbraw/zinc/28/00/24/949280024.db2.gz NKSNMZCZZXEFLB-NWDGAFQWSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576153165 949281119 /nfs/dbraw/zinc/28/11/19/949281119.db2.gz LBGBEJCFXAZAIO-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576153165 949281140 /nfs/dbraw/zinc/28/11/40/949281140.db2.gz LBGBEJCFXAZAIO-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)cn1 ZINC001574453143 949281420 /nfs/dbraw/zinc/28/14/20/949281420.db2.gz XCMUMRUCEJLKTF-LBPRGKRZSA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)cn1 ZINC001574453143 949281439 /nfs/dbraw/zinc/28/14/39/949281439.db2.gz XCMUMRUCEJLKTF-LBPRGKRZSA-N -1 3 389.395 0.381 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575522518 949283968 /nfs/dbraw/zinc/28/39/68/949283968.db2.gz MGUUJJZDMRXNNY-CMPLNLGQSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575522518 949283989 /nfs/dbraw/zinc/28/39/89/949283989.db2.gz MGUUJJZDMRXNNY-CMPLNLGQSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153407 949284599 /nfs/dbraw/zinc/28/45/99/949284599.db2.gz MAYADIMRQCROHY-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153407 949284621 /nfs/dbraw/zinc/28/46/21/949284621.db2.gz MAYADIMRQCROHY-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575257822 949284803 /nfs/dbraw/zinc/28/48/03/949284803.db2.gz CBSIGDDWQZHBTG-SCZZXKLOSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCC1(F)F)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575257822 949284819 /nfs/dbraw/zinc/28/48/19/949284819.db2.gz CBSIGDDWQZHBTG-SCZZXKLOSA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573793163 949285523 /nfs/dbraw/zinc/28/55/23/949285523.db2.gz NARQXJNGPCSUBM-QWRGUYRKSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573793163 949285542 /nfs/dbraw/zinc/28/55/42/949285542.db2.gz NARQXJNGPCSUBM-QWRGUYRKSA-N -1 3 387.444 0.825 20 0 GCADHM C[C@]1(c2nccs2)NC(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC001575860048 949285830 /nfs/dbraw/zinc/28/58/30/949285830.db2.gz BKZUJISBCDLYRW-MRXNPFEDSA-N -1 3 398.408 0.729 20 0 GCADHM C[C@]1(c2nccs2)NC(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC001575860048 949285848 /nfs/dbraw/zinc/28/58/48/949285848.db2.gz BKZUJISBCDLYRW-MRXNPFEDSA-N -1 3 398.408 0.729 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576153422 949287534 /nfs/dbraw/zinc/28/75/34/949287534.db2.gz MBKXFCNUTKADLI-KZULUSFZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576153422 949287554 /nfs/dbraw/zinc/28/75/54/949287554.db2.gz MBKXFCNUTKADLI-KZULUSFZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575258055 949288192 /nfs/dbraw/zinc/28/81/92/949288192.db2.gz DLYHBUQQKBHXNP-QWRGUYRKSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575258055 949288216 /nfs/dbraw/zinc/28/82/16/949288216.db2.gz DLYHBUQQKBHXNP-QWRGUYRKSA-N -1 3 387.400 0.050 20 0 GCADHM CC(C)(C)C(=O)C(=O)NCC1=CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573793341 949291154 /nfs/dbraw/zinc/29/11/54/949291154.db2.gz PFORHNVNRUPZPL-UHFFFAOYSA-N -1 3 385.428 0.699 20 0 GCADHM CC(C)(C)C(=O)C(=O)NCC1=CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573793341 949291174 /nfs/dbraw/zinc/29/11/74/949291174.db2.gz PFORHNVNRUPZPL-UHFFFAOYSA-N -1 3 385.428 0.699 20 0 GCADHM C[C@@H](c1ncccn1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575523447 949291566 /nfs/dbraw/zinc/29/15/66/949291566.db2.gz QEBCBGJADKKAEK-DOERSZECSA-N -1 3 379.428 0.654 20 0 GCADHM C[C@@H](c1ncccn1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575523447 949291586 /nfs/dbraw/zinc/29/15/86/949291586.db2.gz QEBCBGJADKKAEK-DOERSZECSA-N -1 3 379.428 0.654 20 0 GCADHM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574941142 949291548 /nfs/dbraw/zinc/29/15/48/949291548.db2.gz AZGQBVAFFTVSAI-LBPRGKRZSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574941142 949291568 /nfs/dbraw/zinc/29/15/68/949291568.db2.gz AZGQBVAFFTVSAI-LBPRGKRZSA-N -1 3 381.444 0.954 20 0 GCADHM CC1=C(C)C[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)CC1 ZINC001575860083 949291774 /nfs/dbraw/zinc/29/17/74/949291774.db2.gz CVPCKAWVPXDEGM-APHBMKBZSA-N -1 3 399.455 0.633 20 0 GCADHM CC1=C(C)C[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)CC1 ZINC001575860083 949291798 /nfs/dbraw/zinc/29/17/98/949291798.db2.gz CVPCKAWVPXDEGM-APHBMKBZSA-N -1 3 399.455 0.633 20 0 GCADHM C[C@@H](CNC(=O)Cc1c[nH]cn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574941166 949293218 /nfs/dbraw/zinc/29/32/18/949293218.db2.gz BGYQAEXZJIFLJH-VIFPVBQESA-N -1 3 375.824 0.822 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1ncccc1-c1nnn[n-]1 ZINC001574702777 949293718 /nfs/dbraw/zinc/29/37/18/949293718.db2.gz LQFVDEOHCYQSGT-CMPLNLGQSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1ncccc1-c1nn[n-]n1 ZINC001574702777 949293736 /nfs/dbraw/zinc/29/37/36/949293736.db2.gz LQFVDEOHCYQSGT-CMPLNLGQSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575258248 949294008 /nfs/dbraw/zinc/29/40/08/949294008.db2.gz GCMYZPVINHILRU-RKDXNWHRSA-N -1 3 389.391 0.364 20 0 GCADHM C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575258248 949294027 /nfs/dbraw/zinc/29/40/27/949294027.db2.gz GCMYZPVINHILRU-RKDXNWHRSA-N -1 3 389.391 0.364 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)cn1 ZINC001574454950 949296436 /nfs/dbraw/zinc/29/64/36/949296436.db2.gz ITGPPXSFEALXCG-KGLIPLIRSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)cn1 ZINC001574454950 949296457 /nfs/dbraw/zinc/29/64/57/949296457.db2.gz ITGPPXSFEALXCG-KGLIPLIRSA-N -1 3 383.416 0.019 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576153787 949299590 /nfs/dbraw/zinc/29/95/90/949299590.db2.gz BGUPDORGAXPEAN-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576153787 949299607 /nfs/dbraw/zinc/29/96/07/949299607.db2.gz BGUPDORGAXPEAN-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nnnn1C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575523840 949299679 /nfs/dbraw/zinc/29/96/79/949299679.db2.gz FDQYDAMDCJMHTM-LLVKDONJSA-N -1 3 387.452 0.262 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nnnn1C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575523840 949299701 /nfs/dbraw/zinc/29/97/01/949299701.db2.gz FDQYDAMDCJMHTM-LLVKDONJSA-N -1 3 387.452 0.262 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)CCCO1 ZINC001575860621 949301126 /nfs/dbraw/zinc/30/11/26/949301126.db2.gz KBTFPKNGTVBSPJ-BMIGLBTASA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)CCCO1 ZINC001575860621 949301150 /nfs/dbraw/zinc/30/11/50/949301150.db2.gz KBTFPKNGTVBSPJ-BMIGLBTASA-N -1 3 385.428 0.856 20 0 GCADHM CC(C)n1cc(CN2CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001574455230 949302010 /nfs/dbraw/zinc/30/20/10/949302010.db2.gz MZCGYJZHMSBLDJ-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001574455230 949302033 /nfs/dbraw/zinc/30/20/33/949302033.db2.gz MZCGYJZHMSBLDJ-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)CC(=O)N1CCC[C@@H](N(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574108808 949304048 /nfs/dbraw/zinc/30/40/48/949304048.db2.gz RCMOXKIPHQOXJC-CQSZACIVSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N1CCC[C@@H](N(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574108808 949304071 /nfs/dbraw/zinc/30/40/71/949304071.db2.gz RCMOXKIPHQOXJC-CQSZACIVSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)n1cc(CN(C)[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574455364 949304015 /nfs/dbraw/zinc/30/40/15/949304015.db2.gz PBLULSKMRJBICB-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN(C)[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574455364 949304040 /nfs/dbraw/zinc/30/40/40/949304040.db2.gz PBLULSKMRJBICB-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@H]1CCC[C@H](C)N1C(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576153892 949304711 /nfs/dbraw/zinc/30/47/11/949304711.db2.gz NPPXRNZNDCKGCJ-STQMWFEESA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H]1CCC[C@H](C)N1C(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576153892 949304736 /nfs/dbraw/zinc/30/47/36/949304736.db2.gz NPPXRNZNDCKGCJ-STQMWFEESA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001575258698 949305767 /nfs/dbraw/zinc/30/57/67/949305767.db2.gz JMVGMKKAYCNSSV-GLQYFDAESA-N -1 3 380.412 0.474 20 0 GCADHM C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575258698 949305791 /nfs/dbraw/zinc/30/57/91/949305791.db2.gz JMVGMKKAYCNSSV-GLQYFDAESA-N -1 3 380.412 0.474 20 0 GCADHM CC1=C(C(=O)N[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCO1 ZINC001575860723 949306523 /nfs/dbraw/zinc/30/65/23/949306523.db2.gz LHHAMFYPRQJHNG-HNNXBMFYSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)N[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCO1 ZINC001575860723 949306550 /nfs/dbraw/zinc/30/65/50/949306550.db2.gz LHHAMFYPRQJHNG-HNNXBMFYSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575524000 949307672 /nfs/dbraw/zinc/30/76/72/949307672.db2.gz RSXWDKCVLSTQCZ-GXSJLCMTSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575524000 949307692 /nfs/dbraw/zinc/30/76/92/949307692.db2.gz RSXWDKCVLSTQCZ-GXSJLCMTSA-N -1 3 391.461 0.172 20 0 GCADHM CC1=C(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860891 949308638 /nfs/dbraw/zinc/30/86/38/949308638.db2.gz LPTQPHRFDBXRJC-CYBMUJFWSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860891 949308659 /nfs/dbraw/zinc/30/86/59/949308659.db2.gz LPTQPHRFDBXRJC-CYBMUJFWSA-N -1 3 385.428 1.000 20 0 GCADHM CC(C)(C)C(=O)N1CCN([C@H]2CCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001573793958 949309151 /nfs/dbraw/zinc/30/91/51/949309151.db2.gz AAPMDEQWDHJUKH-ZDUSSCGKSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001573794200 949312058 /nfs/dbraw/zinc/31/20/58/949312058.db2.gz CXUHVUROSUMMHA-GFCCVEGCSA-N -1 3 375.458 0.826 20 0 GCADHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001573794200 949312075 /nfs/dbraw/zinc/31/20/75/949312075.db2.gz CXUHVUROSUMMHA-GFCCVEGCSA-N -1 3 375.458 0.826 20 0 GCADHM CC1=C(C(=O)N[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCO1 ZINC001575860982 949312676 /nfs/dbraw/zinc/31/26/76/949312676.db2.gz OUNDDGCZPWUWBA-HNNXBMFYSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)N[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCO1 ZINC001575860982 949312697 /nfs/dbraw/zinc/31/26/97/949312697.db2.gz OUNDDGCZPWUWBA-HNNXBMFYSA-N -1 3 385.428 0.904 20 0 GCADHM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001573794201 949313482 /nfs/dbraw/zinc/31/34/82/949313482.db2.gz CXUHVUROSUMMHA-LBPRGKRZSA-N -1 3 375.458 0.826 20 0 GCADHM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001573794201 949313514 /nfs/dbraw/zinc/31/35/14/949313514.db2.gz CXUHVUROSUMMHA-LBPRGKRZSA-N -1 3 375.458 0.826 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575524432 949314840 /nfs/dbraw/zinc/31/48/40/949314840.db2.gz ITNUJNZABNJLGH-SNVBAGLBSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575524432 949314858 /nfs/dbraw/zinc/31/48/58/949314858.db2.gz ITNUJNZABNJLGH-SNVBAGLBSA-N -1 3 383.420 0.035 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573794671 949315110 /nfs/dbraw/zinc/31/51/10/949315110.db2.gz HIDFABWENKCCGJ-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573794671 949315140 /nfs/dbraw/zinc/31/51/40/949315140.db2.gz HIDFABWENKCCGJ-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CC(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574109281 949316643 /nfs/dbraw/zinc/31/66/43/949316643.db2.gz WRCXVQNQRJYCJJ-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574109281 949316663 /nfs/dbraw/zinc/31/66/63/949316663.db2.gz WRCXVQNQRJYCJJ-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC1=C(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575861221 949319081 /nfs/dbraw/zinc/31/90/81/949319081.db2.gz QIOQXRRFNJBZMF-TXEJJXNPSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575861221 949319103 /nfs/dbraw/zinc/31/91/03/949319103.db2.gz QIOQXRRFNJBZMF-TXEJJXNPSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@@H](NC(=O)C1CC(F)(F)C1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575259182 949322204 /nfs/dbraw/zinc/32/22/04/949322204.db2.gz NKJIXHIAVBXTQG-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)C1CC(F)(F)C1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575259182 949322221 /nfs/dbraw/zinc/32/22/21/949322221.db2.gz NKJIXHIAVBXTQG-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](c1ncccn1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575524501 949322651 /nfs/dbraw/zinc/32/26/51/949322651.db2.gz UDCQIZPSIWBKMG-LBPRGKRZSA-N -1 3 379.428 0.894 20 0 GCADHM C[C@@H](c1ncccn1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575524501 949322674 /nfs/dbraw/zinc/32/26/74/949322674.db2.gz UDCQIZPSIWBKMG-LBPRGKRZSA-N -1 3 379.428 0.894 20 0 GCADHM C[C@@H](CNC(=O)Cc1c[nH]cn1)N(C)c1snc(Cl)c1-c1nnn[n-]1 ZINC001574941876 949323339 /nfs/dbraw/zinc/32/33/39/949323339.db2.gz HULPUEUWCOTTAO-ZETCQYMHSA-N -1 3 381.853 0.883 20 0 GCADHM C[C@@H](CNC(=O)Cc1c[nH]cn1)N(C)c1snc(Cl)c1-c1nn[n-]n1 ZINC001574941876 949323363 /nfs/dbraw/zinc/32/33/63/949323363.db2.gz HULPUEUWCOTTAO-ZETCQYMHSA-N -1 3 381.853 0.883 20 0 GCADHM C[C@H](c1ncccn1)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575524611 949323914 /nfs/dbraw/zinc/32/39/14/949323914.db2.gz UZMPVDSLBVKGFY-LPWJVIDDSA-N -1 3 379.428 0.654 20 0 GCADHM CC1=C(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001575861287 949324893 /nfs/dbraw/zinc/32/48/93/949324893.db2.gz RYHSDKNVWAKITA-GFCCVEGCSA-N -1 3 385.428 0.858 20 0 GCADHM C[C@H](CNC(=O)Cc1c[nH]cn1)N(C)c1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574941995 949324783 /nfs/dbraw/zinc/32/47/83/949324783.db2.gz IFLPOHJEWQYCIF-SSDOTTSWSA-N -1 3 381.853 0.883 20 0 GCADHM C[C@H](CNC(=O)Cc1c[nH]cn1)N(C)c1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574941995 949324806 /nfs/dbraw/zinc/32/48/06/949324806.db2.gz IFLPOHJEWQYCIF-SSDOTTSWSA-N -1 3 381.853 0.883 20 0 GCADHM CC1=C(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001575861287 949324917 /nfs/dbraw/zinc/32/49/17/949324917.db2.gz RYHSDKNVWAKITA-GFCCVEGCSA-N -1 3 385.428 0.858 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001575259497 949326089 /nfs/dbraw/zinc/32/60/89/949326089.db2.gz PDIIJBWLPLHBJH-NWDGAFQWSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001575259497 949326109 /nfs/dbraw/zinc/32/61/09/949326109.db2.gz PDIIJBWLPLHBJH-NWDGAFQWSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nnnn1C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575524866 949326149 /nfs/dbraw/zinc/32/61/49/949326149.db2.gz KDHFSIKXWYNOJB-LLVKDONJSA-N -1 3 387.452 0.262 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nnnn1C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575524866 949326168 /nfs/dbraw/zinc/32/61/68/949326168.db2.gz KDHFSIKXWYNOJB-LLVKDONJSA-N -1 3 387.452 0.262 20 0 GCADHM CC1(C(=O)N(CCO)CCNc2ncccc2-c2nnn[n-]2)CC(F)(F)C1 ZINC001575524912 949327089 /nfs/dbraw/zinc/32/70/89/949327089.db2.gz LBDUMXITWGLYLN-UHFFFAOYSA-N -1 3 381.387 0.930 20 0 GCADHM CC1(C(=O)N(CCO)CCNc2ncccc2-c2nn[n-]n2)CC(F)(F)C1 ZINC001575524912 949327112 /nfs/dbraw/zinc/32/71/12/949327112.db2.gz LBDUMXITWGLYLN-UHFFFAOYSA-N -1 3 381.387 0.930 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001574109737 949328771 /nfs/dbraw/zinc/32/87/71/949328771.db2.gz BTQSSYXWGQWIGX-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001574109737 949328795 /nfs/dbraw/zinc/32/87/95/949328795.db2.gz BTQSSYXWGQWIGX-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@]1(C(=O)N(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCOC1 ZINC001575524926 949328957 /nfs/dbraw/zinc/32/89/57/949328957.db2.gz LIFJZOIZKGCMSE-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCOC1 ZINC001575524926 949328980 /nfs/dbraw/zinc/32/89/80/949328980.db2.gz LIFJZOIZKGCMSE-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573796022 949331989 /nfs/dbraw/zinc/33/19/89/949331989.db2.gz QHELEGWNYCNWDQ-AWEZNQCLSA-N -1 3 390.419 0.896 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573796022 949332012 /nfs/dbraw/zinc/33/20/12/949332012.db2.gz QHELEGWNYCNWDQ-AWEZNQCLSA-N -1 3 390.419 0.896 20 0 GCADHM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575259703 949333044 /nfs/dbraw/zinc/33/30/44/949333044.db2.gz PZQNQNUPCDWSHQ-VXGBXAGGSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@@H](NC(=O)C1=COCCC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575259703 949333068 /nfs/dbraw/zinc/33/30/68/949333068.db2.gz PZQNQNUPCDWSHQ-VXGBXAGGSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](c1ncccn1)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575525071 949333073 /nfs/dbraw/zinc/33/30/73/949333073.db2.gz VZRJPFVOCBDISY-GFCCVEGCSA-N -1 3 379.428 0.894 20 0 GCADHM C[C@H](c1ncccn1)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575525071 949333098 /nfs/dbraw/zinc/33/30/98/949333098.db2.gz VZRJPFVOCBDISY-GFCCVEGCSA-N -1 3 379.428 0.894 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575525210 949337333 /nfs/dbraw/zinc/33/73/33/949337333.db2.gz WPODDTHTTJABIA-LLVKDONJSA-N -1 3 384.448 0.669 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575525210 949337347 /nfs/dbraw/zinc/33/73/47/949337347.db2.gz WPODDTHTTJABIA-LLVKDONJSA-N -1 3 384.448 0.669 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575525372 949338501 /nfs/dbraw/zinc/33/85/01/949338501.db2.gz MUUAEYUJQBJTNQ-SNVBAGLBSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575525372 949338518 /nfs/dbraw/zinc/33/85/18/949338518.db2.gz MUUAEYUJQBJTNQ-SNVBAGLBSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@]1(C(=O)N(CCO)CCNc2cccc(F)c2-c2nnn[n-]2)CCOC1 ZINC001575525386 949339342 /nfs/dbraw/zinc/33/93/42/949339342.db2.gz MZFXBRVRSURJIZ-QGZVFWFLSA-N -1 3 378.408 0.665 20 0 GCADHM C[C@@]1(C(=O)N(CCO)CCNc2cccc(F)c2-c2nn[n-]n2)CCOC1 ZINC001575525386 949339364 /nfs/dbraw/zinc/33/93/64/949339364.db2.gz MZFXBRVRSURJIZ-QGZVFWFLSA-N -1 3 378.408 0.665 20 0 GCADHM C[C@H](CNC(=O)Cc1cccc(F)c1F)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574942175 949340516 /nfs/dbraw/zinc/34/05/16/949340516.db2.gz XCHBLYILIDSXOH-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1cccc(F)c1F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574942175 949340538 /nfs/dbraw/zinc/34/05/38/949340538.db2.gz XCHBLYILIDSXOH-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574942232 949341336 /nfs/dbraw/zinc/34/13/36/949341336.db2.gz LHHHCEAKHZGTSJ-LBPRGKRZSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574942232 949341348 /nfs/dbraw/zinc/34/13/48/949341348.db2.gz LHHHCEAKHZGTSJ-LBPRGKRZSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260059 949342796 /nfs/dbraw/zinc/34/27/96/949342796.db2.gz UAGRXEWAAIGOBO-AAEUAGOBSA-N -1 3 385.428 0.508 20 0 GCADHM C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260059 949342814 /nfs/dbraw/zinc/34/28/14/949342814.db2.gz UAGRXEWAAIGOBO-AAEUAGOBSA-N -1 3 385.428 0.508 20 0 GCADHM C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260061 949343263 /nfs/dbraw/zinc/34/32/63/949343263.db2.gz UAGRXEWAAIGOBO-WCQYABFASA-N -1 3 385.428 0.508 20 0 GCADHM C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260061 949343287 /nfs/dbraw/zinc/34/32/87/949343287.db2.gz UAGRXEWAAIGOBO-WCQYABFASA-N -1 3 385.428 0.508 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001575525564 949346105 /nfs/dbraw/zinc/34/61/05/949346105.db2.gz XWYDNSABHYVVNS-RTXFEEFZSA-N -1 3 382.432 0.088 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001575525564 949346120 /nfs/dbraw/zinc/34/61/20/949346120.db2.gz XWYDNSABHYVVNS-RTXFEEFZSA-N -1 3 382.432 0.088 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573798464 949353176 /nfs/dbraw/zinc/35/31/76/949353176.db2.gz BTXUSQYHUFEZDU-LLVKDONJSA-N -1 3 389.435 0.863 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573798464 949353195 /nfs/dbraw/zinc/35/31/95/949353195.db2.gz BTXUSQYHUFEZDU-LLVKDONJSA-N -1 3 389.435 0.863 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)n1 ZINC001574459411 949357511 /nfs/dbraw/zinc/35/75/11/949357511.db2.gz FWJMWFJOEVRSAB-AWEZNQCLSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)n1 ZINC001574459411 949357536 /nfs/dbraw/zinc/35/75/36/949357536.db2.gz FWJMWFJOEVRSAB-AWEZNQCLSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@](CNC(=O)Cc1cc[nH]n1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574942472 949357647 /nfs/dbraw/zinc/35/76/47/949357647.db2.gz PEVSWWZGYBUHCD-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@](CNC(=O)Cc1cc[nH]n1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574942472 949357667 /nfs/dbraw/zinc/35/76/67/949357667.db2.gz PEVSWWZGYBUHCD-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574110268 949360050 /nfs/dbraw/zinc/36/00/50/949360050.db2.gz XHLPKTMYJIPQOO-KRWDZBQOSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574110268 949360072 /nfs/dbraw/zinc/36/00/72/949360072.db2.gz XHLPKTMYJIPQOO-KRWDZBQOSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575526081 949360471 /nfs/dbraw/zinc/36/04/71/949360471.db2.gz UKUCGNNISIPREW-VIFPVBQESA-N -1 3 383.420 0.034 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575526081 949360494 /nfs/dbraw/zinc/36/04/94/949360494.db2.gz UKUCGNNISIPREW-VIFPVBQESA-N -1 3 383.420 0.034 20 0 GCADHM CC1(C(=O)N2CC3(C2)CN(C(=O)c2ccc(-c4nnn[n-]4)[nH]2)CCO3)CCC1 ZINC001575527346 949369688 /nfs/dbraw/zinc/36/96/88/949369688.db2.gz AGTBUWWUZDQYOS-UHFFFAOYSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CC3(C2)CN(C(=O)c2ccc(-c4nn[n-]n4)[nH]2)CCO3)CCC1 ZINC001575527346 949369711 /nfs/dbraw/zinc/36/97/11/949369711.db2.gz AGTBUWWUZDQYOS-UHFFFAOYSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575527460 949375951 /nfs/dbraw/zinc/37/59/51/949375951.db2.gz CRNPGBBQSJMADH-KZULUSFZSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575527460 949375969 /nfs/dbraw/zinc/37/59/69/949375969.db2.gz CRNPGBBQSJMADH-KZULUSFZSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@@H](CNC(=O)Cc1cc[nH]n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574943293 949376751 /nfs/dbraw/zinc/37/67/51/949376751.db2.gz VSZGAQFKZBDQTN-VIFPVBQESA-N -1 3 375.824 0.822 20 0 GCADHM C[C@@H](CNC(=O)Cc1cc[nH]n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574943293 949376774 /nfs/dbraw/zinc/37/67/74/949376774.db2.gz VSZGAQFKZBDQTN-VIFPVBQESA-N -1 3 375.824 0.822 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575865463 949376847 /nfs/dbraw/zinc/37/68/47/949376847.db2.gz ANLWIYSWCGGHPK-DTWKUNHWSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575865463 949376866 /nfs/dbraw/zinc/37/68/66/949376866.db2.gz ANLWIYSWCGGHPK-DTWKUNHWSA-N -1 3 379.371 0.959 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001574111473 949380400 /nfs/dbraw/zinc/38/04/00/949380400.db2.gz ICUHDEUBDQPFLA-BXUZGUMPSA-N -1 3 387.444 0.450 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001574111473 949380420 /nfs/dbraw/zinc/38/04/20/949380420.db2.gz ICUHDEUBDQPFLA-BXUZGUMPSA-N -1 3 387.444 0.450 20 0 GCADHM C[C@H](CNC(=O)Cc1cncn1C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574943470 949382088 /nfs/dbraw/zinc/38/20/88/949382088.db2.gz YAGZLHSDCKLOLB-GFCCVEGCSA-N -1 3 386.435 0.919 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576155200 949388152 /nfs/dbraw/zinc/38/81/52/949388152.db2.gz TWCNBZRSWHVDFX-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576155200 949388175 /nfs/dbraw/zinc/38/81/75/949388175.db2.gz TWCNBZRSWHVDFX-GTNSWQLSSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C(=O)N2CC3(C2)C[C@@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)CO3)CCC1 ZINC001575528183 949389114 /nfs/dbraw/zinc/38/91/14/949389114.db2.gz NWDARSYVWLLYAV-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N2CC3(C2)C[C@@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)CO3)CCC1 ZINC001575528183 949389138 /nfs/dbraw/zinc/38/91/38/949389138.db2.gz NWDARSYVWLLYAV-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575263361 949392517 /nfs/dbraw/zinc/39/25/17/949392517.db2.gz GIBNEGKNQWOWSW-XTZNXHDOSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575263361 949392536 /nfs/dbraw/zinc/39/25/36/949392536.db2.gz GIBNEGKNQWOWSW-XTZNXHDOSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C(=O)N2CC3(C2)CC[C@H](CNC(=O)c2c[nH]c(-c4nnn[n-]4)c2)O3)CC1 ZINC001575528280 949393430 /nfs/dbraw/zinc/39/34/30/949393430.db2.gz QOBYMQDFJNDSSB-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N2CC3(C2)CC[C@H](CNC(=O)c2c[nH]c(-c4nn[n-]n4)c2)O3)CC1 ZINC001575528280 949393454 /nfs/dbraw/zinc/39/34/54/949393454.db2.gz QOBYMQDFJNDSSB-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573800306 949394390 /nfs/dbraw/zinc/39/43/90/949394390.db2.gz XFKIBLXORXVGFQ-LLVKDONJSA-N -1 3 390.423 0.576 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573800306 949394410 /nfs/dbraw/zinc/39/44/10/949394410.db2.gz XFKIBLXORXVGFQ-LLVKDONJSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575263364 949394660 /nfs/dbraw/zinc/39/46/60/949394660.db2.gz GIBNEGKNQWOWSW-YPMLDQLKSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](NC(=O)C[C@](C)(O)C1CC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575263364 949394683 /nfs/dbraw/zinc/39/46/83/949394683.db2.gz GIBNEGKNQWOWSW-YPMLDQLKSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576155325 949394749 /nfs/dbraw/zinc/39/47/49/949394749.db2.gz IDODFOVKIMLUIB-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576155325 949394770 /nfs/dbraw/zinc/39/47/70/949394770.db2.gz IDODFOVKIMLUIB-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575263342 949395165 /nfs/dbraw/zinc/39/51/65/949395165.db2.gz GEIQXBNVUQYGLF-YMTOWFKASA-N -1 3 389.391 0.051 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc[nH]n1)CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001574944587 949396619 /nfs/dbraw/zinc/39/66/19/949396619.db2.gz GAGKBZCQCRSJFQ-LURJTMIESA-N -1 3 382.841 0.502 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc[nH]n1)CNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001574944587 949396639 /nfs/dbraw/zinc/39/66/39/949396639.db2.gz GAGKBZCQCRSJFQ-LURJTMIESA-N -1 3 382.841 0.502 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575263551 949397184 /nfs/dbraw/zinc/39/71/84/949397184.db2.gz HTIAHNUYQBROGJ-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575263551 949397209 /nfs/dbraw/zinc/39/72/09/949397209.db2.gz HTIAHNUYQBROGJ-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001573801528 949398387 /nfs/dbraw/zinc/39/83/87/949398387.db2.gz AUSKCGOFPZZQSI-UHFFFAOYSA-N -1 3 380.430 0.962 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001573801528 949398409 /nfs/dbraw/zinc/39/84/09/949398409.db2.gz AUSKCGOFPZZQSI-UHFFFAOYSA-N -1 3 380.430 0.962 20 0 GCADHM CC(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574113788 949402058 /nfs/dbraw/zinc/40/20/58/949402058.db2.gz QDJNRMPDTBYHBW-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574113788 949402074 /nfs/dbraw/zinc/40/20/74/949402074.db2.gz QDJNRMPDTBYHBW-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573801757 949402546 /nfs/dbraw/zinc/40/25/46/949402546.db2.gz BYOKLILTPVJRPR-TXEJJXNPSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573801757 949402555 /nfs/dbraw/zinc/40/25/55/949402555.db2.gz BYOKLILTPVJRPR-TXEJJXNPSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575263727 949403640 /nfs/dbraw/zinc/40/36/40/949403640.db2.gz JBMNYCHAWURSHS-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575263727 949403656 /nfs/dbraw/zinc/40/36/56/949403656.db2.gz JBMNYCHAWURSHS-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM CC1(C(=O)N2CC3(C2)CC[C@H](CNC(=O)c2ccc(-c4nnn[n-]4)[nH]2)O3)CC1 ZINC001575528578 949403762 /nfs/dbraw/zinc/40/37/62/949403762.db2.gz XUDVXYAQSKDSLZ-LLVKDONJSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N2CC3(C2)CC[C@H](CNC(=O)c2ccc(-c4nn[n-]n4)[nH]2)O3)CC1 ZINC001575528578 949403772 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/nfs/dbraw/zinc/44/60/78/949446078.db2.gz VWNFULMCWHGVNR-CYBMUJFWSA-N -1 3 383.460 0.180 20 0 GCADHM C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575265318 949446485 /nfs/dbraw/zinc/44/64/85/949446485.db2.gz UGEGBQFNKMCACY-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575265318 949446498 /nfs/dbraw/zinc/44/64/98/949446498.db2.gz UGEGBQFNKMCACY-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574947574 949449011 /nfs/dbraw/zinc/44/90/11/949449011.db2.gz CUBFKSXHSCPYDP-LBPRGKRZSA-N -1 3 384.448 0.263 20 0 GCADHM CC(C)CC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001574117144 949450958 /nfs/dbraw/zinc/45/09/58/949450958.db2.gz MOPWHEGBRQPZIY-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)CC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001574117144 949450976 /nfs/dbraw/zinc/45/09/76/949450976.db2.gz MOPWHEGBRQPZIY-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574467982 949452957 /nfs/dbraw/zinc/45/29/57/949452957.db2.gz BYKRPDFNTULQLF-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574467982 949452968 /nfs/dbraw/zinc/45/29/68/949452968.db2.gz BYKRPDFNTULQLF-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)c1 ZINC001574468105 949457044 /nfs/dbraw/zinc/45/70/44/949457044.db2.gz JPGXRAXKTZICJN-NHAGDIPZSA-N -1 3 379.428 0.904 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)c1 ZINC001574468105 949457060 /nfs/dbraw/zinc/45/70/60/949457060.db2.gz JPGXRAXKTZICJN-NHAGDIPZSA-N -1 3 379.428 0.904 20 0 GCADHM CC1(C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCC1 ZINC001575535999 949460281 /nfs/dbraw/zinc/46/02/81/949460281.db2.gz CUDOQVPIHDAYCW-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCC1 ZINC001575535999 949460294 /nfs/dbraw/zinc/46/02/94/949460294.db2.gz CUDOQVPIHDAYCW-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@@]1(C(=O)N2CCC(Nc3ncccc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575536356 949465765 /nfs/dbraw/zinc/46/57/65/949465765.db2.gz HSCCKGYVHVPURA-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC(Nc3ncccc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575536356 949465787 /nfs/dbraw/zinc/46/57/87/949465787.db2.gz HSCCKGYVHVPURA-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574707231 949466813 /nfs/dbraw/zinc/46/68/13/949466813.db2.gz ODKMKXQLRFHOHO-YPMHNXCESA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574707231 949466822 /nfs/dbraw/zinc/46/68/22/949466822.db2.gz ODKMKXQLRFHOHO-YPMHNXCESA-N -1 3 387.448 0.311 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001574468800 949467365 /nfs/dbraw/zinc/46/73/65/949467365.db2.gz RPLVZLSSUZUERT-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001574468800 949467374 /nfs/dbraw/zinc/46/73/74/949467374.db2.gz RPLVZLSSUZUERT-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574707631 949471052 /nfs/dbraw/zinc/47/10/52/949471052.db2.gz PCUNFODERPXQBC-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574707631 949471068 /nfs/dbraw/zinc/47/10/68/949471068.db2.gz PCUNFODERPXQBC-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@]1(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)CCNC(=O)C1 ZINC001575536809 949475027 /nfs/dbraw/zinc/47/50/27/949475027.db2.gz MIRFSIAADIALMT-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)CCNC(=O)C1 ZINC001575536809 949475038 /nfs/dbraw/zinc/47/50/38/949475038.db2.gz MIRFSIAADIALMT-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC(Nc3ncccc3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575536597 949476360 /nfs/dbraw/zinc/47/63/60/949476360.db2.gz KHHPEBSZFGDAOH-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC(Nc3ncccc3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575536597 949476374 /nfs/dbraw/zinc/47/63/74/949476374.db2.gz KHHPEBSZFGDAOH-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574948993 949478597 /nfs/dbraw/zinc/47/85/97/949478597.db2.gz PEQYXWJUVPDUSM-QMMMGPOBSA-N -1 3 379.787 0.868 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574948993 949478613 /nfs/dbraw/zinc/47/86/13/949478613.db2.gz PEQYXWJUVPDUSM-QMMMGPOBSA-N -1 3 379.787 0.868 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576157237 949478518 /nfs/dbraw/zinc/47/85/18/949478518.db2.gz ZKNXMINHQDGARU-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576157237 949478535 /nfs/dbraw/zinc/47/85/35/949478535.db2.gz ZKNXMINHQDGARU-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576157240 949479089 /nfs/dbraw/zinc/47/90/89/949479089.db2.gz ZKNXMINHQDGARU-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576157240 949479103 /nfs/dbraw/zinc/47/91/03/949479103.db2.gz ZKNXMINHQDGARU-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001574469718 949482397 /nfs/dbraw/zinc/48/23/97/949482397.db2.gz GBVZTWJFJNJCDO-TZMCWYRMSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001574469718 949482415 /nfs/dbraw/zinc/48/24/15/949482415.db2.gz GBVZTWJFJNJCDO-TZMCWYRMSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574117939 949483820 /nfs/dbraw/zinc/48/38/20/949483820.db2.gz BPHWGJFMZFHOET-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574117939 949483833 /nfs/dbraw/zinc/48/38/33/949483833.db2.gz BPHWGJFMZFHOET-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@H](NC(=O)CC1OCCCO1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575266671 949486303 /nfs/dbraw/zinc/48/63/03/949486303.db2.gz DKXIRLWCTNVTBV-UWVGGRQHSA-N -1 3 379.396 0.859 20 0 GCADHM C[C@H](NC(=O)CC1OCCCO1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575266671 949486315 /nfs/dbraw/zinc/48/63/15/949486315.db2.gz DKXIRLWCTNVTBV-UWVGGRQHSA-N -1 3 379.396 0.859 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573806486 949487851 /nfs/dbraw/zinc/48/78/51/949487851.db2.gz PPPAIXXPPTVFHO-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573806486 949487861 /nfs/dbraw/zinc/48/78/61/949487861.db2.gz PPPAIXXPPTVFHO-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H](O)C2)CCCC1 ZINC001575537198 949488517 /nfs/dbraw/zinc/48/85/17/949488517.db2.gz SZSCKXUJKFUSMV-BXUZGUMPSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H](O)C2)CCCC1 ZINC001575537198 949488537 /nfs/dbraw/zinc/48/85/37/949488537.db2.gz SZSCKXUJKFUSMV-BXUZGUMPSA-N -1 3 387.444 0.467 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001574119036 949496636 /nfs/dbraw/zinc/49/66/36/949496636.db2.gz HQDVGTRULCMLQK-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001574119036 949496646 /nfs/dbraw/zinc/49/66/46/949496646.db2.gz HQDVGTRULCMLQK-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575537707 949496695 /nfs/dbraw/zinc/49/66/95/949496695.db2.gz ANXOKGKSJYZTIO-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575537707 949496704 /nfs/dbraw/zinc/49/67/04/949496704.db2.gz ANXOKGKSJYZTIO-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575267255 949500958 /nfs/dbraw/zinc/50/09/58/949500958.db2.gz HQHOROYBKYBDIM-NEPJUHHUSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575267255 949500975 /nfs/dbraw/zinc/50/09/75/949500975.db2.gz HQHOROYBKYBDIM-NEPJUHHUSA-N -1 3 387.444 0.467 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574470487 949501954 /nfs/dbraw/zinc/50/19/54/949501954.db2.gz SNDJYPWRLRNXHD-NSHDSACASA-N -1 3 389.395 0.381 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574470487 949501964 /nfs/dbraw/zinc/50/19/64/949501964.db2.gz SNDJYPWRLRNXHD-NSHDSACASA-N -1 3 389.395 0.381 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCCS1(=O)=O ZINC001575537777 949502534 /nfs/dbraw/zinc/50/25/34/949502534.db2.gz XRTMIJLRLALRFH-WBMJQRKESA-N -1 3 391.457 0.242 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCCS1(=O)=O ZINC001575537777 949502559 /nfs/dbraw/zinc/50/25/59/949502559.db2.gz XRTMIJLRLALRFH-WBMJQRKESA-N -1 3 391.457 0.242 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1ccnc1 ZINC001573807997 949503360 /nfs/dbraw/zinc/50/33/60/949503360.db2.gz BYOYCJRLOBIHJS-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1ccnc1 ZINC001573807997 949503374 /nfs/dbraw/zinc/50/33/74/949503374.db2.gz BYOYCJRLOBIHJS-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574119823 949504160 /nfs/dbraw/zinc/50/41/60/949504160.db2.gz KAVUJSSLMBNRTO-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574119823 949504187 /nfs/dbraw/zinc/50/41/87/949504187.db2.gz KAVUJSSLMBNRTO-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C1=CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573807963 949504484 /nfs/dbraw/zinc/50/44/84/949504484.db2.gz BBRWMBADALLMSW-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C1=CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573807963 949504501 /nfs/dbraw/zinc/50/45/01/949504501.db2.gz BBRWMBADALLMSW-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@]1(C(=O)N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCCOC1 ZINC001575537781 949504808 /nfs/dbraw/zinc/50/48/08/949504808.db2.gz XRVXDSPNTYDOIX-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCCOC1 ZINC001575537781 949504832 /nfs/dbraw/zinc/50/48/32/949504832.db2.gz XRVXDSPNTYDOIX-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C1=CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573807964 949505054 /nfs/dbraw/zinc/50/50/54/949505054.db2.gz BBRWMBADALLMSW-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C1=CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573807964 949505068 /nfs/dbraw/zinc/50/50/68/949505068.db2.gz BBRWMBADALLMSW-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccncn1 ZINC001573808028 949509036 /nfs/dbraw/zinc/50/90/36/949509036.db2.gz CNNIUGJQTLJCOT-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccncn1 ZINC001573808028 949509054 /nfs/dbraw/zinc/50/90/54/949509054.db2.gz CNNIUGJQTLJCOT-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnccn1 ZINC001573808157 949509576 /nfs/dbraw/zinc/50/95/76/949509576.db2.gz DBZHFEPOEQPCEA-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnccn1 ZINC001573808157 949509598 /nfs/dbraw/zinc/50/95/98/949509598.db2.gz DBZHFEPOEQPCEA-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnccn1 ZINC001573808164 949509859 /nfs/dbraw/zinc/50/98/59/949509859.db2.gz DDBFOONKKWIKKF-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnccn1 ZINC001573808164 949509876 /nfs/dbraw/zinc/50/98/76/949509876.db2.gz DDBFOONKKWIKKF-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC1CC1 ZINC001573808213 949512527 /nfs/dbraw/zinc/51/25/27/949512527.db2.gz FABXZYFVEOIMFO-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC1CC1 ZINC001573808213 949512544 /nfs/dbraw/zinc/51/25/44/949512544.db2.gz FABXZYFVEOIMFO-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575267980 949512577 /nfs/dbraw/zinc/51/25/77/949512577.db2.gz KXPDEIQJQMPRTB-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575267980 949512586 /nfs/dbraw/zinc/51/25/86/949512586.db2.gz KXPDEIQJQMPRTB-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575267985 949514107 /nfs/dbraw/zinc/51/41/07/949514107.db2.gz KYUDUMZOCUDNGJ-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C[C@@H]1CCCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575267985 949514119 /nfs/dbraw/zinc/51/41/19/949514119.db2.gz KYUDUMZOCUDNGJ-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808638 949519158 /nfs/dbraw/zinc/51/91/58/949519158.db2.gz HJSUXVQLZJYPGB-WVWOOGAGSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808638 949519173 /nfs/dbraw/zinc/51/91/73/949519173.db2.gz HJSUXVQLZJYPGB-WVWOOGAGSA-N -1 3 387.444 0.348 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575871802 949521313 /nfs/dbraw/zinc/52/13/13/949521313.db2.gz CCGCNHFAHDCFQG-YPMHNXCESA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2=CCOCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575871802 949521327 /nfs/dbraw/zinc/52/13/27/949521327.db2.gz CCGCNHFAHDCFQG-YPMHNXCESA-N -1 3 385.428 0.651 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cccnn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808674 949522027 /nfs/dbraw/zinc/52/20/27/949522027.db2.gz IBGRKNWPZFLIHF-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cccnn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808674 949522042 /nfs/dbraw/zinc/52/20/42/949522042.db2.gz IBGRKNWPZFLIHF-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)NC(N)=O ZINC001574471083 949522084 /nfs/dbraw/zinc/52/20/84/949522084.db2.gz IVDVXKTZVDWTCZ-ZWNOBZJWSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)NC(N)=O ZINC001574471083 949522104 /nfs/dbraw/zinc/52/21/04/949522104.db2.gz IVDVXKTZVDWTCZ-ZWNOBZJWSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1c[nH]cn1 ZINC001573808653 949522687 /nfs/dbraw/zinc/52/26/87/949522687.db2.gz HTIQMIDHSBFJRM-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574471027 949523486 /nfs/dbraw/zinc/52/34/86/949523486.db2.gz YEWXLOIPJQSIQC-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574471027 949523505 /nfs/dbraw/zinc/52/35/05/949523505.db2.gz YEWXLOIPJQSIQC-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808732 949523727 /nfs/dbraw/zinc/52/37/27/949523727.db2.gz JDNGXBKJDLTKJK-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808732 949523746 /nfs/dbraw/zinc/52/37/46/949523746.db2.gz JDNGXBKJDLTKJK-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871916 949523998 /nfs/dbraw/zinc/52/39/98/949523998.db2.gz CXUWCDLIUUOAGF-PWSUYJOCSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871916 949524013 /nfs/dbraw/zinc/52/40/13/949524013.db2.gz CXUWCDLIUUOAGF-PWSUYJOCSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574711089 949524234 /nfs/dbraw/zinc/52/42/34/949524234.db2.gz DBGIVYMOESUEOS-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574711089 949524249 /nfs/dbraw/zinc/52/42/49/949524249.db2.gz DBGIVYMOESUEOS-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574711138 949525256 /nfs/dbraw/zinc/52/52/56/949525256.db2.gz DKDHWOIDQCXQEP-XVKPBYJWSA-N -1 3 380.796 0.282 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574711138 949525271 /nfs/dbraw/zinc/52/52/71/949525271.db2.gz DKDHWOIDQCXQEP-XVKPBYJWSA-N -1 3 380.796 0.282 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001574471148 949525552 /nfs/dbraw/zinc/52/55/52/949525552.db2.gz KHXSBKKGSHBSNM-SWLSCSKDSA-N -1 3 396.459 0.714 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001574471148 949525572 /nfs/dbraw/zinc/52/55/72/949525572.db2.gz KHXSBKKGSHBSNM-SWLSCSKDSA-N -1 3 396.459 0.714 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2=CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575871959 949526163 /nfs/dbraw/zinc/52/61/63/949526163.db2.gz DDADETUBTILVRX-FZMZJTMJSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC2=CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575871959 949526179 /nfs/dbraw/zinc/52/61/79/949526179.db2.gz DDADETUBTILVRX-FZMZJTMJSA-N -1 3 385.428 0.651 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnns1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808977 949527301 /nfs/dbraw/zinc/52/73/01/949527301.db2.gz KCQOGQWPOSEQCD-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnns1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808977 949527316 /nfs/dbraw/zinc/52/73/16/949527316.db2.gz KCQOGQWPOSEQCD-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808994 949528294 /nfs/dbraw/zinc/52/82/94/949528294.db2.gz KJSDAMBIHDKCFA-LLVKDONJSA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)n1nnc(NC(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)n1 ZINC001574471303 949534516 /nfs/dbraw/zinc/53/45/16/949534516.db2.gz LYCKKXUTKMENGM-UHFFFAOYSA-N -1 3 375.422 0.668 20 0 GCADHM CC(C)n1nnc(NC(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)n1 ZINC001574471303 949534535 /nfs/dbraw/zinc/53/45/35/949534535.db2.gz LYCKKXUTKMENGM-UHFFFAOYSA-N -1 3 375.422 0.668 20 0 GCADHM CC(C)CC(=O)NCc1nc(CNc2cnc(-c3nnn[n-]3)cn2)cc(=O)[nH]1 ZINC001574123010 949535299 /nfs/dbraw/zinc/53/52/99/949535299.db2.gz AOSQHDNYOHSKOG-UHFFFAOYSA-N -1 3 384.404 0.427 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nnn[n-]4)nc3)C2)CCOC1 ZINC001575539076 949536363 /nfs/dbraw/zinc/53/63/63/949536363.db2.gz MGCRFAYFLVCUTI-ROUUACIJSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[n-]n4)nc3)C2)CCOC1 ZINC001575539076 949536379 /nfs/dbraw/zinc/53/63/79/949536379.db2.gz MGCRFAYFLVCUTI-ROUUACIJSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574471409 949537871 /nfs/dbraw/zinc/53/78/71/949537871.db2.gz MSIWEUMHXULRJN-RKDXNWHRSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574471409 949537888 /nfs/dbraw/zinc/53/78/88/949537888.db2.gz MSIWEUMHXULRJN-RKDXNWHRSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575872209 949544767 /nfs/dbraw/zinc/54/47/67/949544767.db2.gz HLPJKAZPFRCRIH-GXTWGEPZSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575872209 949544786 /nfs/dbraw/zinc/54/47/86/949544786.db2.gz HLPJKAZPFRCRIH-GXTWGEPZSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575539413 949549331 /nfs/dbraw/zinc/54/93/31/949549331.db2.gz PUJQNQSNXDMRNB-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575539413 949549349 /nfs/dbraw/zinc/54/93/49/949549349.db2.gz PUJQNQSNXDMRNB-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576164198 949551139 /nfs/dbraw/zinc/55/11/39/949551139.db2.gz FAIAOYBEHYWEHM-WFASDCNBSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576164198 949551161 /nfs/dbraw/zinc/55/11/61/949551161.db2.gz FAIAOYBEHYWEHM-WFASDCNBSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711704 949552561 /nfs/dbraw/zinc/55/25/61/949552561.db2.gz KQXYYDFQBDXEMJ-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2nccn2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711704 949552573 /nfs/dbraw/zinc/55/25/73/949552573.db2.gz KQXYYDFQBDXEMJ-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnccn1 ZINC001573809738 949552627 /nfs/dbraw/zinc/55/26/27/949552627.db2.gz UYAMJHOPOMRVPW-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnccn1 ZINC001573809738 949552644 /nfs/dbraw/zinc/55/26/44/949552644.db2.gz UYAMJHOPOMRVPW-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ncccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809736 949553747 /nfs/dbraw/zinc/55/37/47/949553747.db2.gz UVNMMETVKDXCFU-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ncccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809736 949553759 /nfs/dbraw/zinc/55/37/59/949553759.db2.gz UVNMMETVKDXCFU-GFCCVEGCSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576164544 949555069 /nfs/dbraw/zinc/55/50/69/949555069.db2.gz HANPYMUNJKOOPO-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576164544 949555084 /nfs/dbraw/zinc/55/50/84/949555084.db2.gz HANPYMUNJKOOPO-FZMZJTMJSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnsn1 ZINC001573810042 949560226 /nfs/dbraw/zinc/56/02/26/949560226.db2.gz YCRSYLAYOAZARR-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnsn1 ZINC001573810042 949560233 /nfs/dbraw/zinc/56/02/33/949560233.db2.gz YCRSYLAYOAZARR-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnsn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573810051 949560477 /nfs/dbraw/zinc/56/04/77/949560477.db2.gz YESBJAAILMVBRU-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnsn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573810051 949560489 /nfs/dbraw/zinc/56/04/89/949560489.db2.gz YESBJAAILMVBRU-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711861 949560725 /nfs/dbraw/zinc/56/07/25/949560725.db2.gz NGGAYPQODRCUFP-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711861 949560737 /nfs/dbraw/zinc/56/07/37/949560737.db2.gz NGGAYPQODRCUFP-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1csnn1 ZINC001573810031 949562830 /nfs/dbraw/zinc/56/28/30/949562830.db2.gz XZKRDUHEJMMZEZ-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1csnn1 ZINC001573810031 949562844 /nfs/dbraw/zinc/56/28/44/949562844.db2.gz XZKRDUHEJMMZEZ-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574711971 949563439 /nfs/dbraw/zinc/56/34/39/949563439.db2.gz OUYCIWUTVBXKBU-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574711971 949563461 /nfs/dbraw/zinc/56/34/61/949563461.db2.gz OUYCIWUTVBXKBU-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574124091 949564893 /nfs/dbraw/zinc/56/48/93/949564893.db2.gz BKDCYOGDIVMPSA-UBHSHLNASA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574124091 949564904 /nfs/dbraw/zinc/56/49/04/949564904.db2.gz BKDCYOGDIVMPSA-UBHSHLNASA-N -1 3 386.460 0.716 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001574475471 949567289 /nfs/dbraw/zinc/56/72/89/949567289.db2.gz ANWFWQLSNRCJBN-CHWSQXEVSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001574475471 949567308 /nfs/dbraw/zinc/56/73/08/949567308.db2.gz ANWFWQLSNRCJBN-CHWSQXEVSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574955711 949568028 /nfs/dbraw/zinc/56/80/28/949568028.db2.gz CWPLJAQAVLPXMV-FZMZJTMJSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574955711 949568047 /nfs/dbraw/zinc/56/80/47/949568047.db2.gz CWPLJAQAVLPXMV-FZMZJTMJSA-N -1 3 384.444 0.579 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cncnc1 ZINC001573810068 949568339 /nfs/dbraw/zinc/56/83/39/949568339.db2.gz YLNRDQFZLMGVQE-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cncnc1 ZINC001573810068 949568350 /nfs/dbraw/zinc/56/83/50/949568350.db2.gz YLNRDQFZLMGVQE-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C)C1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001576165324 949570353 /nfs/dbraw/zinc/57/03/53/949570353.db2.gz JPVCSMZUCKTCPL-OLZOCXBDSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C)C1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001576165324 949570362 /nfs/dbraw/zinc/57/03/62/949570362.db2.gz JPVCSMZUCKTCPL-OLZOCXBDSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574475495 949570944 /nfs/dbraw/zinc/57/09/44/949570944.db2.gz AYIADCHBLGLQSF-MNOVXSKESA-N -1 3 390.423 0.490 20 0 GCADHM C[C@H](CC(=O)N(C)[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574475495 949570975 /nfs/dbraw/zinc/57/09/75/949570975.db2.gz AYIADCHBLGLQSF-MNOVXSKESA-N -1 3 390.423 0.490 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccncn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573810163 949571437 /nfs/dbraw/zinc/57/14/37/949571437.db2.gz ZZYORWUCOANFKN-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccncn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573810163 949571460 /nfs/dbraw/zinc/57/14/60/949571460.db2.gz ZZYORWUCOANFKN-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](N(CCO)c3ncc(-c4nnn[n-]4)cc3F)C2)CC1 ZINC001575540872 949574070 /nfs/dbraw/zinc/57/40/70/949574070.db2.gz ZTGVUFRXSBBKNB-CYBMUJFWSA-N -1 3 389.435 0.991 20 0 GCADHM CC1(C(=O)N2CCC[C@@H](N(CCO)c3ncc(-c4nn[n-]n4)cc3F)C2)CC1 ZINC001575540872 949574086 /nfs/dbraw/zinc/57/40/86/949574086.db2.gz ZTGVUFRXSBBKNB-CYBMUJFWSA-N -1 3 389.435 0.991 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574475849 949576249 /nfs/dbraw/zinc/57/62/49/949576249.db2.gz COKPXAAZXUPNSP-JTQLQIEISA-N -1 3 380.478 0.265 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ncccc3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575544224 949580327 /nfs/dbraw/zinc/58/03/27/949580327.db2.gz BSHJVXGNKWDNAX-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ncccc3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575544224 949580339 /nfs/dbraw/zinc/58/03/39/949580339.db2.gz BSHJVXGNKWDNAX-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001575270444 949586544 /nfs/dbraw/zinc/58/65/44/949586544.db2.gz ZTDXWBMMAQDCGT-MNOVXSKESA-N -1 3 375.408 0.602 20 0 GCADHM C[C@@H](NC(=O)CC(N)=O)[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001575270444 949586565 /nfs/dbraw/zinc/58/65/65/949586565.db2.gz ZTDXWBMMAQDCGT-MNOVXSKESA-N -1 3 375.408 0.602 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccncc1 ZINC001574476117 949587362 /nfs/dbraw/zinc/58/73/62/949587362.db2.gz AHYPOTMILVUYID-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccncc1 ZINC001574476117 949587377 /nfs/dbraw/zinc/58/73/77/949587377.db2.gz AHYPOTMILVUYID-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001574476158 949587895 /nfs/dbraw/zinc/58/78/95/949587895.db2.gz AZCICFITKNGYHJ-SMDDNHRTSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001574476158 949587914 /nfs/dbraw/zinc/58/79/14/949587914.db2.gz AZCICFITKNGYHJ-SMDDNHRTSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574712751 949588998 /nfs/dbraw/zinc/58/89/98/949588998.db2.gz UEXMBAQSRQBMOK-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574712751 949589010 /nfs/dbraw/zinc/58/90/10/949589010.db2.gz UEXMBAQSRQBMOK-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712861 949589284 /nfs/dbraw/zinc/58/92/84/949589284.db2.gz UGGNAXNZGFFQNX-WDEREUQCSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](CC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574476142 949590007 /nfs/dbraw/zinc/59/00/07/949590007.db2.gz ATIMUGMDSQDSAD-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574476142 949590021 /nfs/dbraw/zinc/59/00/21/949590021.db2.gz ATIMUGMDSQDSAD-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575873816 949590909 /nfs/dbraw/zinc/59/09/09/949590909.db2.gz QFOMNJGIPYDUDJ-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575873816 949590923 /nfs/dbraw/zinc/59/09/23/949590923.db2.gz QFOMNJGIPYDUDJ-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575544869 949593122 /nfs/dbraw/zinc/59/31/22/949593122.db2.gz GWGLXOUYTAYGDY-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575544869 949593135 /nfs/dbraw/zinc/59/31/35/949593135.db2.gz GWGLXOUYTAYGDY-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574713139 949594996 /nfs/dbraw/zinc/59/49/96/949594996.db2.gz VZLUIIMWGKUMPC-ONGXEEELSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574713139 949595011 /nfs/dbraw/zinc/59/50/11/949595011.db2.gz VZLUIIMWGKUMPC-ONGXEEELSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1COCCO1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574713121 949595041 /nfs/dbraw/zinc/59/50/41/949595041.db2.gz VZDXURNWVIGYSA-BXKDBHETSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1COCCO1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574713121 949595056 /nfs/dbraw/zinc/59/50/56/949595056.db2.gz VZDXURNWVIGYSA-BXKDBHETSA-N -1 3 381.824 0.589 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1COCCO1 ZINC001573811268 949596440 /nfs/dbraw/zinc/59/64/40/949596440.db2.gz IUWPROFEHHEBPK-CHWSQXEVSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1COCCO1 ZINC001573811268 949596456 /nfs/dbraw/zinc/59/64/56/949596456.db2.gz IUWPROFEHHEBPK-CHWSQXEVSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1COCCO1 ZINC001573811269 949597501 /nfs/dbraw/zinc/59/75/01/949597501.db2.gz IUWPROFEHHEBPK-OLZOCXBDSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1COCCO1 ZINC001573811269 949597518 /nfs/dbraw/zinc/59/75/18/949597518.db2.gz IUWPROFEHHEBPK-OLZOCXBDSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001573811270 949597548 /nfs/dbraw/zinc/59/75/48/949597548.db2.gz IUWPROFEHHEBPK-QWHCGFSZSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1COCCO1 ZINC001573811270 949597561 /nfs/dbraw/zinc/59/75/61/949597561.db2.gz IUWPROFEHHEBPK-QWHCGFSZSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576167159 949599102 /nfs/dbraw/zinc/59/91/02/949599102.db2.gz OZQXOYQIAXMSEA-LBPRGKRZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574713279 949599321 /nfs/dbraw/zinc/59/93/21/949599321.db2.gz WYHXMCUCKHBMOY-JSGCOSHPSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574713279 949599330 /nfs/dbraw/zinc/59/93/30/949599330.db2.gz WYHXMCUCKHBMOY-JSGCOSHPSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574957200 949604733 /nfs/dbraw/zinc/60/47/33/949604733.db2.gz SKHHYECSMAFQKN-FZMZJTMJSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574957200 949604745 /nfs/dbraw/zinc/60/47/45/949604745.db2.gz SKHHYECSMAFQKN-FZMZJTMJSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713452 949605546 /nfs/dbraw/zinc/60/55/46/949605546.db2.gz XNMCHCWDVUHBGD-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575270912 949606602 /nfs/dbraw/zinc/60/66/02/949606602.db2.gz HCSDUHACKCCQMM-LLVKDONJSA-N -1 3 389.435 0.598 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574957387 949607288 /nfs/dbraw/zinc/60/72/88/949607288.db2.gz WTBJEKJFPIAXGP-GWCFXTLKSA-N -1 3 375.408 0.568 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574957387 949607279 /nfs/dbraw/zinc/60/72/79/949607279.db2.gz WTBJEKJFPIAXGP-GWCFXTLKSA-N -1 3 375.408 0.568 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574476519 949607801 /nfs/dbraw/zinc/60/78/01/949607801.db2.gz DNLNTRHEBSHDNA-GTNSWQLSSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@](C)(CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574476519 949607813 /nfs/dbraw/zinc/60/78/13/949607813.db2.gz DNLNTRHEBSHDNA-GTNSWQLSSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575874301 949608737 /nfs/dbraw/zinc/60/87/37/949608737.db2.gz FUBPHWGWMOXNPV-FZMZJTMJSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575874301 949608753 /nfs/dbraw/zinc/60/87/53/949608753.db2.gz FUBPHWGWMOXNPV-FZMZJTMJSA-N -1 3 380.412 0.552 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574127334 949609034 /nfs/dbraw/zinc/60/90/34/949609034.db2.gz GCBIPANVDOTMPA-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574127334 949609048 /nfs/dbraw/zinc/60/90/48/949609048.db2.gz GCBIPANVDOTMPA-LLVKDONJSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CC(C)(C)CO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574713684 949609165 /nfs/dbraw/zinc/60/91/65/949609165.db2.gz BEFHBULWFIQHOC-NWDGAFQWSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CC(C)(C)CO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574713684 949609179 /nfs/dbraw/zinc/60/91/79/949609179.db2.gz BEFHBULWFIQHOC-NWDGAFQWSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574127335 949610148 /nfs/dbraw/zinc/61/01/48/949610148.db2.gz GCBIPANVDOTMPA-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574127335 949610159 /nfs/dbraw/zinc/61/01/59/949610159.db2.gz GCBIPANVDOTMPA-NSHDSACASA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574713661 949610269 /nfs/dbraw/zinc/61/02/69/949610269.db2.gz AORPWHYQPXLEFX-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574957388 949610205 /nfs/dbraw/zinc/61/02/05/949610205.db2.gz WTBJEKJFPIAXGP-MFKMUULPSA-N -1 3 375.408 0.568 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574957388 949610217 /nfs/dbraw/zinc/61/02/17/949610217.db2.gz WTBJEKJFPIAXGP-MFKMUULPSA-N -1 3 375.408 0.568 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574713661 949610285 /nfs/dbraw/zinc/61/02/85/949610285.db2.gz AORPWHYQPXLEFX-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574713712 949610882 /nfs/dbraw/zinc/61/08/82/949610882.db2.gz BKESRNVSCIKMHD-ONGXEEELSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574713712 949610897 /nfs/dbraw/zinc/61/08/97/949610897.db2.gz BKESRNVSCIKMHD-ONGXEEELSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574713737 949612959 /nfs/dbraw/zinc/61/29/59/949612959.db2.gz BSGBWRAIIALLHM-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574713737 949612970 /nfs/dbraw/zinc/61/29/70/949612970.db2.gz BSGBWRAIIALLHM-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574127417 949614059 /nfs/dbraw/zinc/61/40/59/949614059.db2.gz HNPUJQZWEVVYDO-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574127417 949614068 /nfs/dbraw/zinc/61/40/68/949614068.db2.gz HNPUJQZWEVVYDO-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574713738 949614140 /nfs/dbraw/zinc/61/41/40/949614140.db2.gz BSGBWRAIIALLHM-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574713738 949614152 /nfs/dbraw/zinc/61/41/52/949614152.db2.gz BSGBWRAIIALLHM-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CN1CCCC1=O ZINC001573812409 949615940 /nfs/dbraw/zinc/61/59/40/949615940.db2.gz RPLRNLXDIDLOAA-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CN1CCCC1=O ZINC001573812409 949615952 /nfs/dbraw/zinc/61/59/52/949615952.db2.gz RPLRNLXDIDLOAA-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575271549 949618890 /nfs/dbraw/zinc/61/88/90/949618890.db2.gz KPBLHAPXFMDQGJ-MNOVXSKESA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575271549 949618902 /nfs/dbraw/zinc/61/89/02/949618902.db2.gz KPBLHAPXFMDQGJ-MNOVXSKESA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CCN1CCCC1=O ZINC001575271635 949624468 /nfs/dbraw/zinc/62/44/68/949624468.db2.gz LKJQYFMMHFCOQU-WDEREUQCSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CCN1CCCC1=O ZINC001575271635 949624479 /nfs/dbraw/zinc/62/44/79/949624479.db2.gz LKJQYFMMHFCOQU-WDEREUQCSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574476868 949625068 /nfs/dbraw/zinc/62/50/68/949625068.db2.gz KWYZTVSPKBEWIA-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574476868 949625084 /nfs/dbraw/zinc/62/50/84/949625084.db2.gz KWYZTVSPKBEWIA-NSHDSACASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574714445 949627316 /nfs/dbraw/zinc/62/73/16/949627316.db2.gz DEDDVVOMRDEALD-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574714445 949627333 /nfs/dbraw/zinc/62/73/33/949627333.db2.gz DEDDVVOMRDEALD-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOCC1 ZINC001575547562 949630209 /nfs/dbraw/zinc/63/02/09/949630209.db2.gz ZXPODJMXHPHLJL-UHFFFAOYSA-N -1 3 387.444 0.686 20 0 GCADHM CC1(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOCC1 ZINC001575547562 949630221 /nfs/dbraw/zinc/63/02/21/949630221.db2.gz ZXPODJMXHPHLJL-UHFFFAOYSA-N -1 3 387.444 0.686 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001575547656 949634057 /nfs/dbraw/zinc/63/40/57/949634057.db2.gz BEHOGRGACGGGOG-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001575547656 949634072 /nfs/dbraw/zinc/63/40/72/949634072.db2.gz BEHOGRGACGGGOG-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576168369 949634500 /nfs/dbraw/zinc/63/45/00/949634500.db2.gz GPTHGSPWFRFKNU-GXTWGEPZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576168369 949634515 /nfs/dbraw/zinc/63/45/15/949634515.db2.gz GPTHGSPWFRFKNU-GXTWGEPZSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574129183 949636722 /nfs/dbraw/zinc/63/67/22/949636722.db2.gz RMUOWLPAGHGLPT-KGLIPLIRSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574129183 949636742 /nfs/dbraw/zinc/63/67/42/949636742.db2.gz RMUOWLPAGHGLPT-KGLIPLIRSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715030 949637076 /nfs/dbraw/zinc/63/70/76/949637076.db2.gz AANOAWPPHLRTQV-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715030 949637087 /nfs/dbraw/zinc/63/70/87/949637087.db2.gz AANOAWPPHLRTQV-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575547770 949639046 /nfs/dbraw/zinc/63/90/46/949639046.db2.gz HCHNAJFWVXCVOR-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575547770 949639061 /nfs/dbraw/zinc/63/90/61/949639061.db2.gz HCHNAJFWVXCVOR-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575547759 949639678 /nfs/dbraw/zinc/63/96/78/949639678.db2.gz GNPLHDGSSDESDF-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575547759 949639687 /nfs/dbraw/zinc/63/96/87/949639687.db2.gz GNPLHDGSSDESDF-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574957972 949640294 /nfs/dbraw/zinc/64/02/94/949640294.db2.gz KGEYMERGQNBEMY-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574957972 949640308 /nfs/dbraw/zinc/64/03/08/949640308.db2.gz KGEYMERGQNBEMY-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876191 949641117 /nfs/dbraw/zinc/64/11/17/949641117.db2.gz JKCBETYPPSPWGQ-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575547860 949642768 /nfs/dbraw/zinc/64/27/68/949642768.db2.gz HRVQZQGZNFKWQE-BDJLRTHQSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575547860 949642778 /nfs/dbraw/zinc/64/27/78/949642778.db2.gz HRVQZQGZNFKWQE-BDJLRTHQSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)CCCOC1 ZINC001575547834 949643882 /nfs/dbraw/zinc/64/38/82/949643882.db2.gz GISDQTJHLWHPKC-PEELUZDISA-N -1 3 399.455 0.684 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)CCCOC1 ZINC001575547834 949643893 /nfs/dbraw/zinc/64/38/93/949643893.db2.gz GISDQTJHLWHPKC-PEELUZDISA-N -1 3 399.455 0.684 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575547861 949644346 /nfs/dbraw/zinc/64/43/46/949644346.db2.gz HRVQZQGZNFKWQE-BZNIZROVSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575547861 949644354 /nfs/dbraw/zinc/64/43/54/949644354.db2.gz HRVQZQGZNFKWQE-BZNIZROVSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876304 949644888 /nfs/dbraw/zinc/64/48/88/949644888.db2.gz JTLIBGKXIKQXBS-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2ncc[nH]2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876304 949644896 /nfs/dbraw/zinc/64/48/96/949644896.db2.gz JTLIBGKXIKQXBS-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)CCCOC1 ZINC001575547833 949644988 /nfs/dbraw/zinc/64/49/88/949644988.db2.gz GISDQTJHLWHPKC-KPAZRMRSSA-N -1 3 399.455 0.684 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)CCCOC1 ZINC001575547833 949644995 /nfs/dbraw/zinc/64/49/95/949644995.db2.gz GISDQTJHLWHPKC-KPAZRMRSSA-N -1 3 399.455 0.684 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575876268 949645854 /nfs/dbraw/zinc/64/58/54/949645854.db2.gz JRLIGTZOLDPXBC-BDAKNGLRSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575876268 949645867 /nfs/dbraw/zinc/64/58/67/949645867.db2.gz JRLIGTZOLDPXBC-BDAKNGLRSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)CCOC1 ZINC001575547930 949648898 /nfs/dbraw/zinc/64/88/98/949648898.db2.gz KMEGSHBQBKXTLI-YRILPIOLSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)CCOC1 ZINC001575547930 949648907 /nfs/dbraw/zinc/64/89/07/949648907.db2.gz KMEGSHBQBKXTLI-YRILPIOLSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574477435 949656779 /nfs/dbraw/zinc/65/67/79/949656779.db2.gz OAZQRWYGQQBVEU-LLVKDONJSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001574477420 949657731 /nfs/dbraw/zinc/65/77/31/949657731.db2.gz QXZRKZCLTXWAGL-GXTWGEPZSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001574477420 949657747 /nfs/dbraw/zinc/65/77/47/949657747.db2.gz QXZRKZCLTXWAGL-GXTWGEPZSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001574477447 949658197 /nfs/dbraw/zinc/65/81/97/949658197.db2.gz RGUUGXRGFGDDTD-HIFRSBDPSA-N -1 3 384.444 0.946 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001574477447 949658211 /nfs/dbraw/zinc/65/82/11/949658211.db2.gz RGUUGXRGFGDDTD-HIFRSBDPSA-N -1 3 384.444 0.946 20 0 GCADHM C[C@@]1(C(=O)N2CCO[C@H](CNc3ncccc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575548187 949660881 /nfs/dbraw/zinc/66/08/81/949660881.db2.gz TUNZUKVJCJXVDG-FZKQIMNGSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@]1(C(=O)N2CCO[C@H](CNc3ncccc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575548187 949660892 /nfs/dbraw/zinc/66/08/92/949660892.db2.gz TUNZUKVJCJXVDG-FZKQIMNGSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574477514 949662338 /nfs/dbraw/zinc/66/23/38/949662338.db2.gz RUPJFZOXFKYIJI-SMDDNHRTSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574477514 949662351 /nfs/dbraw/zinc/66/23/51/949662351.db2.gz RUPJFZOXFKYIJI-SMDDNHRTSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575877383 949662793 /nfs/dbraw/zinc/66/27/93/949662793.db2.gz ZNDCPZNNULDPOU-CMPLNLGQSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575877383 949662808 /nfs/dbraw/zinc/66/28/08/949662808.db2.gz ZNDCPZNNULDPOU-CMPLNLGQSA-N -1 3 389.416 0.067 20 0 GCADHM CC(C)C[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574131607 949662974 /nfs/dbraw/zinc/66/29/74/949662974.db2.gz HYTFIHBHPIDJEM-GXTWGEPZSA-N -1 3 391.476 0.768 20 0 GCADHM CC(C)C[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574131607 949662986 /nfs/dbraw/zinc/66/29/86/949662986.db2.gz HYTFIHBHPIDJEM-GXTWGEPZSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575877395 949663141 /nfs/dbraw/zinc/66/31/41/949663141.db2.gz ZNDCPZNNULDPOU-ZYHUDNBSSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575877395 949663150 /nfs/dbraw/zinc/66/31/50/949663150.db2.gz ZNDCPZNNULDPOU-ZYHUDNBSSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CCCC2)[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576169112 949663732 /nfs/dbraw/zinc/66/37/32/949663732.db2.gz FEOLPZSGDBBEDT-ZIAGYGMSSA-N -1 3 385.476 0.213 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574477622 949666026 /nfs/dbraw/zinc/66/60/26/949666026.db2.gz SPHOWJVURFCEFR-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574477622 949666040 /nfs/dbraw/zinc/66/60/40/949666040.db2.gz SPHOWJVURFCEFR-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CN(C)C(=O)CCCC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574715744 949666550 /nfs/dbraw/zinc/66/65/50/949666550.db2.gz GCKKWGWWEVREME-SECBINFHSA-N -1 3 380.840 0.830 20 0 GCADHM C[C@H](CN(C)C(=O)CCCC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574715744 949666561 /nfs/dbraw/zinc/66/65/61/949666561.db2.gz GCKKWGWWEVREME-SECBINFHSA-N -1 3 380.840 0.830 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575877654 949666960 /nfs/dbraw/zinc/66/69/60/949666960.db2.gz MGCWNPBGWHVWOX-JSGCOSHPSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2ccnn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575877654 949666971 /nfs/dbraw/zinc/66/69/71/949666971.db2.gz MGCWNPBGWHVWOX-JSGCOSHPSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCCOC1 ZINC001575548344 949669037 /nfs/dbraw/zinc/66/90/37/949669037.db2.gz XLKSEHWXOKHPBR-KDOFPFPSSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCCOC1 ZINC001575548344 949669048 /nfs/dbraw/zinc/66/90/48/949669048.db2.gz XLKSEHWXOKHPBR-KDOFPFPSSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@H](NC(=O)CC[C@H]1CCCO1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575273764 949671863 /nfs/dbraw/zinc/67/18/63/949671863.db2.gz XYHULXKOPNMEFK-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC[C@H]1CCCO1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575273764 949671879 /nfs/dbraw/zinc/67/18/79/949671879.db2.gz XYHULXKOPNMEFK-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001575878148 949672557 /nfs/dbraw/zinc/67/25/57/949672557.db2.gz NMKXMAKAKWIJGJ-WFASDCNBSA-N -1 3 392.485 0.380 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCOCC1 ZINC001575548397 949672626 /nfs/dbraw/zinc/67/26/26/949672626.db2.gz ZIJWRQLJUQEYPP-CQSZACIVSA-N -1 3 387.444 0.718 20 0 GCADHM CC1(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCOCC1 ZINC001575548397 949672639 /nfs/dbraw/zinc/67/26/39/949672639.db2.gz ZIJWRQLJUQEYPP-CQSZACIVSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@H](NC(=O)CC[C@@H]1CCCO1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575273766 949673521 /nfs/dbraw/zinc/67/35/21/949673521.db2.gz XYHULXKOPNMEFK-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC[C@@H]1CCCO1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575273766 949673535 /nfs/dbraw/zinc/67/35/35/949673535.db2.gz XYHULXKOPNMEFK-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574715988 949675465 /nfs/dbraw/zinc/67/54/65/949675465.db2.gz GVOWIOWQBNHJMO-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574715988 949675484 /nfs/dbraw/zinc/67/54/84/949675484.db2.gz GVOWIOWQBNHJMO-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575552191 949678605 /nfs/dbraw/zinc/67/86/05/949678605.db2.gz BWKHUUCCUKAEGZ-OAVHHTNSSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575552191 949678622 /nfs/dbraw/zinc/67/86/22/949678622.db2.gz BWKHUUCCUKAEGZ-OAVHHTNSSA-N -1 3 385.428 0.437 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573816384 949678960 /nfs/dbraw/zinc/67/89/60/949678960.db2.gz RXKRPXPSPCXICU-SGTLLEGYSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573816384 949678978 /nfs/dbraw/zinc/67/89/78/949678978.db2.gz RXKRPXPSPCXICU-SGTLLEGYSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878788 949680141 /nfs/dbraw/zinc/68/01/41/949680141.db2.gz PCFVZCNYUOTVTI-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878788 949680156 /nfs/dbraw/zinc/68/01/56/949680156.db2.gz PCFVZCNYUOTVTI-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575878804 949681583 /nfs/dbraw/zinc/68/15/83/949681583.db2.gz PFKCBZIPMXEVHH-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575878804 949681589 /nfs/dbraw/zinc/68/15/89/949681589.db2.gz PFKCBZIPMXEVHH-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574132216 949682591 /nfs/dbraw/zinc/68/25/91/949682591.db2.gz SYQGLYFCXYAVMJ-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574132216 949682603 /nfs/dbraw/zinc/68/26/03/949682603.db2.gz SYQGLYFCXYAVMJ-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574958647 949684503 /nfs/dbraw/zinc/68/45/03/949684503.db2.gz VAUCEWZPGRLEPQ-SFYZADRCSA-N -1 3 381.828 0.136 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NC(N)=O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574958647 949684525 /nfs/dbraw/zinc/68/45/25/949684525.db2.gz VAUCEWZPGRLEPQ-SFYZADRCSA-N -1 3 381.828 0.136 20 0 GCADHM C[C@H](NC(=O)CCc1ccn(C)n1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575274610 949687505 /nfs/dbraw/zinc/68/75/05/949687505.db2.gz AQKWWDMRSFPWKI-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1ccn(C)n1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575274610 949687521 /nfs/dbraw/zinc/68/75/21/949687521.db2.gz AQKWWDMRSFPWKI-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574958697 949687949 /nfs/dbraw/zinc/68/79/49/949687949.db2.gz VGYAKXAPOAUUOX-MVVXRAEJSA-N -1 3 377.836 0.748 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574958697 949687959 /nfs/dbraw/zinc/68/79/59/949687959.db2.gz VGYAKXAPOAUUOX-MVVXRAEJSA-N -1 3 377.836 0.748 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001574477983 949688442 /nfs/dbraw/zinc/68/84/42/949688442.db2.gz WRMXMPXJJLTTCM-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001574477983 949688465 /nfs/dbraw/zinc/68/84/65/949688465.db2.gz WRMXMPXJJLTTCM-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001574477950 949688827 /nfs/dbraw/zinc/68/88/27/949688827.db2.gz SZKSCTZEDVSHLK-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001574477950 949688846 /nfs/dbraw/zinc/68/88/46/949688846.db2.gz SZKSCTZEDVSHLK-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169723 949689096 /nfs/dbraw/zinc/68/90/96/949689096.db2.gz HXHGGGVNQCXYQU-ZYHUDNBSSA-N -1 3 383.420 0.057 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169723 949689115 /nfs/dbraw/zinc/68/91/15/949689115.db2.gz HXHGGGVNQCXYQU-ZYHUDNBSSA-N -1 3 383.420 0.057 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCNC(N)=O)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575879433 949690067 /nfs/dbraw/zinc/69/00/67/949690067.db2.gz QWUAYVAIBGFQTJ-CMPLNLGQSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCNC(N)=O)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575879433 949690082 /nfs/dbraw/zinc/69/00/82/949690082.db2.gz QWUAYVAIBGFQTJ-CMPLNLGQSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574716316 949690700 /nfs/dbraw/zinc/69/07/00/949690700.db2.gz JGKILEOPOCJVFY-GHMZBOCLSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574716316 949690715 /nfs/dbraw/zinc/69/07/15/949690715.db2.gz JGKILEOPOCJVFY-GHMZBOCLSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001574478081 949692049 /nfs/dbraw/zinc/69/20/49/949692049.db2.gz UXOKFFXBVXWIKR-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001574478081 949692070 /nfs/dbraw/zinc/69/20/70/949692070.db2.gz UXOKFFXBVXWIKR-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM CC(C)CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574132390 949693866 /nfs/dbraw/zinc/69/38/66/949693866.db2.gz YHXZWRKUHNLNNQ-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)CC(C)(C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574132390 949693879 /nfs/dbraw/zinc/69/38/79/949693879.db2.gz YHXZWRKUHNLNNQ-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575880183 949695790 /nfs/dbraw/zinc/69/57/90/949695790.db2.gz SBFRKKAFCIIKTR-DZGCQCFKSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575880183 949695794 /nfs/dbraw/zinc/69/57/94/949695794.db2.gz SBFRKKAFCIIKTR-DZGCQCFKSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574958943 949696245 /nfs/dbraw/zinc/69/62/45/949696245.db2.gz OKAKVHAUFCNMNA-BYCMXARLSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574958943 949696252 /nfs/dbraw/zinc/69/62/52/949696252.db2.gz OKAKVHAUFCNMNA-BYCMXARLSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001574478168 949697281 /nfs/dbraw/zinc/69/72/81/949697281.db2.gz WAYPNPHBWCOLRH-DZGCQCFKSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001574478168 949697295 /nfs/dbraw/zinc/69/72/95/949697295.db2.gz WAYPNPHBWCOLRH-DZGCQCFKSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716600 949698856 /nfs/dbraw/zinc/69/88/56/949698856.db2.gz KZTZPHORSSUVKO-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716600 949698867 /nfs/dbraw/zinc/69/88/67/949698867.db2.gz KZTZPHORSSUVKO-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573817191 949700789 /nfs/dbraw/zinc/70/07/89/949700789.db2.gz YPKXWRNQTLVRPQ-RISCZKNCSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573817191 949700800 /nfs/dbraw/zinc/70/08/00/949700800.db2.gz YPKXWRNQTLVRPQ-RISCZKNCSA-N -1 3 386.460 0.731 20 0 GCADHM CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCCC1 ZINC001575555203 949701130 /nfs/dbraw/zinc/70/11/30/949701130.db2.gz XBTFCRWKNLADID-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCCC1 ZINC001575555203 949701150 /nfs/dbraw/zinc/70/11/50/949701150.db2.gz XBTFCRWKNLADID-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575880519 949702083 /nfs/dbraw/zinc/70/20/83/949702083.db2.gz TZRYSHAMYSPVPB-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575880519 949702099 /nfs/dbraw/zinc/70/20/99/949702099.db2.gz TZRYSHAMYSPVPB-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575555248 949702537 /nfs/dbraw/zinc/70/25/37/949702537.db2.gz XTPVXADUUMNDGF-BKTGTZMESA-N -1 3 399.455 0.732 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575555248 949702554 /nfs/dbraw/zinc/70/25/54/949702554.db2.gz XTPVXADUUMNDGF-BKTGTZMESA-N -1 3 399.455 0.732 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574959106 949702503 /nfs/dbraw/zinc/70/25/03/949702503.db2.gz ZBYNGYCPXWPKMP-TWJWRFFLSA-N -1 3 387.444 0.477 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574959106 949702518 /nfs/dbraw/zinc/70/25/18/949702518.db2.gz ZBYNGYCPXWPKMP-TWJWRFFLSA-N -1 3 387.444 0.477 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574959382 949708366 /nfs/dbraw/zinc/70/83/66/949708366.db2.gz QTLQNQCOBWXYOW-MRVWCRGKSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574959382 949708390 /nfs/dbraw/zinc/70/83/90/949708390.db2.gz QTLQNQCOBWXYOW-MRVWCRGKSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](CN(C)C(=O)CCC1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716786 949709466 /nfs/dbraw/zinc/70/94/66/949709466.db2.gz LXOAAWFTWUFCLU-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)CCC1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716786 949709480 /nfs/dbraw/zinc/70/94/80/949709480.db2.gz LXOAAWFTWUFCLU-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)CCOC1 ZINC001575557198 949710934 /nfs/dbraw/zinc/71/09/34/949710934.db2.gz DBHJLYWUDXVWNN-BKTMZONDSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)CCOC1 ZINC001575557198 949710939 /nfs/dbraw/zinc/71/09/39/949710939.db2.gz DBHJLYWUDXVWNN-BKTMZONDSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880964 949712058 /nfs/dbraw/zinc/71/20/58/949712058.db2.gz WIFZBNQFUSWQGD-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880964 949712078 /nfs/dbraw/zinc/71/20/78/949712078.db2.gz WIFZBNQFUSWQGD-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001574478616 949714154 /nfs/dbraw/zinc/71/41/54/949714154.db2.gz ZOPJHJNXGPPRLU-SNVBAGLBSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001574478616 949714173 /nfs/dbraw/zinc/71/41/73/949714173.db2.gz ZOPJHJNXGPPRLU-SNVBAGLBSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ncccc1-c1nnn[n-]1 ZINC001574717006 949716894 /nfs/dbraw/zinc/71/68/94/949716894.db2.gz NPKUKTPPPFGSGD-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ncccc1-c1nn[n-]n1 ZINC001574717006 949716924 /nfs/dbraw/zinc/71/69/24/949716924.db2.gz NPKUKTPPPFGSGD-KZULUSFZSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNc2ncccc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575557303 949717029 /nfs/dbraw/zinc/71/70/29/949717029.db2.gz GQBZKRDWYJVQKC-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNc2ncccc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575557303 949717049 /nfs/dbraw/zinc/71/70/49/949717049.db2.gz GQBZKRDWYJVQKC-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCC[C@H](C)C1 ZINC001576170455 949717574 /nfs/dbraw/zinc/71/75/74/949717574.db2.gz KTSJKKUAAVYOKK-STQMWFEESA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)N1CCC[C@H](C)C1 ZINC001576170455 949717589 /nfs/dbraw/zinc/71/75/89/949717589.db2.gz KTSJKKUAAVYOKK-STQMWFEESA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716930 949718317 /nfs/dbraw/zinc/71/83/17/949718317.db2.gz RYSISJZDURTQOV-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716930 949718333 /nfs/dbraw/zinc/71/83/33/949718333.db2.gz RYSISJZDURTQOV-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574134147 949719088 /nfs/dbraw/zinc/71/90/88/949719088.db2.gz HFDLEDNFRUZRJZ-NEPJUHHUSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574134147 949719104 /nfs/dbraw/zinc/71/91/04/949719104.db2.gz HFDLEDNFRUZRJZ-NEPJUHHUSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574959800 949720227 /nfs/dbraw/zinc/72/02/27/949720227.db2.gz UGGQALOCTBBDIR-WCFLWFBJSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574959800 949720244 /nfs/dbraw/zinc/72/02/44/949720244.db2.gz UGGQALOCTBBDIR-WCFLWFBJSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574959813 949720431 /nfs/dbraw/zinc/72/04/31/949720431.db2.gz ULJXAUZRLUUNBL-BYCMXARLSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574959813 949720468 /nfs/dbraw/zinc/72/04/68/949720468.db2.gz ULJXAUZRLUUNBL-BYCMXARLSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](NC(=O)CCS(C)(=O)=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575276461 949721878 /nfs/dbraw/zinc/72/18/78/949721878.db2.gz JFWWSSRSAKXRAH-IUCAKERBSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@H](NC(=O)CCS(C)(=O)=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575276461 949721901 /nfs/dbraw/zinc/72/19/01/949721901.db2.gz JFWWSSRSAKXRAH-IUCAKERBSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575881518 949723131 /nfs/dbraw/zinc/72/31/31/949723131.db2.gz YULILBKQXSZKNQ-PSASIEDQSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COCC(F)F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575881518 949723147 /nfs/dbraw/zinc/72/31/47/949723147.db2.gz YULILBKQXSZKNQ-PSASIEDQSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276713 949725354 /nfs/dbraw/zinc/72/53/54/949725354.db2.gz KPBARYAQIQKKDW-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1cncs1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276713 949725368 /nfs/dbraw/zinc/72/53/68/949725368.db2.gz KPBARYAQIQKKDW-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](NC(=O)CCc1cscn1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276536 949726464 /nfs/dbraw/zinc/72/64/64/949726464.db2.gz KELWWSUIRHQQOU-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](NC(=O)CCc1cscn1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276536 949726472 /nfs/dbraw/zinc/72/64/72/949726472.db2.gz KELWWSUIRHQQOU-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1cscn1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276542 949726727 /nfs/dbraw/zinc/72/67/27/949726727.db2.gz KELWWSUIRHQQOU-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574479108 949726792 /nfs/dbraw/zinc/72/67/92/949726792.db2.gz CVUIBSNKPAXVMH-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574479108 949726801 /nfs/dbraw/zinc/72/68/01/949726801.db2.gz CVUIBSNKPAXVMH-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](NC(=O)CCc1cscn1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276542 949726738 /nfs/dbraw/zinc/72/67/38/949726738.db2.gz KELWWSUIRHQQOU-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574479236 949728864 /nfs/dbraw/zinc/72/88/64/949728864.db2.gz CVUIBSNKPAXVMH-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574479236 949728872 /nfs/dbraw/zinc/72/88/72/949728872.db2.gz CVUIBSNKPAXVMH-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276790 949731692 /nfs/dbraw/zinc/73/16/92/949731692.db2.gz LOJLKOCFBTUQEL-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1cnn(C)c1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276790 949731698 /nfs/dbraw/zinc/73/16/98/949731698.db2.gz LOJLKOCFBTUQEL-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276792 949731725 /nfs/dbraw/zinc/73/17/25/949731725.db2.gz LOJLKOCFBTUQEL-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276792 949731736 /nfs/dbraw/zinc/73/17/36/949731736.db2.gz LOJLKOCFBTUQEL-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCC[C@H](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576170678 949731889 /nfs/dbraw/zinc/73/18/89/949731889.db2.gz NBUZMEQQAXLJBF-QWHCGFSZSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H](NC(=O)CCc1ccoc1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575276805 949732412 /nfs/dbraw/zinc/73/24/12/949732412.db2.gz LXPFBPZBEAQIOA-NSHDSACASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](NC(=O)CCc1ccoc1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575276805 949732433 /nfs/dbraw/zinc/73/24/33/949732433.db2.gz LXPFBPZBEAQIOA-NSHDSACASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576170727 949733834 /nfs/dbraw/zinc/73/38/34/949733834.db2.gz NQVSZQMZYRUDKN-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576170727 949733848 /nfs/dbraw/zinc/73/38/48/949733848.db2.gz NQVSZQMZYRUDKN-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574479682 949737174 /nfs/dbraw/zinc/73/71/74/949737174.db2.gz FLKQQKRGNAFDDQ-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574479682 949737192 /nfs/dbraw/zinc/73/71/92/949737192.db2.gz FLKQQKRGNAFDDQ-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575881859 949738272 /nfs/dbraw/zinc/73/82/72/949738272.db2.gz CGFLHIFECAKECY-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575881859 949738291 /nfs/dbraw/zinc/73/82/91/949738291.db2.gz CGFLHIFECAKECY-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277069 949740801 /nfs/dbraw/zinc/74/08/01/949740801.db2.gz NHDFUNFRSDAJFU-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277069 949740815 /nfs/dbraw/zinc/74/08/15/949740815.db2.gz NHDFUNFRSDAJFU-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881907 949740844 /nfs/dbraw/zinc/74/08/44/949740844.db2.gz CXLKLHVSGHETFZ-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881907 949740852 /nfs/dbraw/zinc/74/08/52/949740852.db2.gz CXLKLHVSGHETFZ-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881952 949740992 /nfs/dbraw/zinc/74/09/92/949740992.db2.gz DMZKWTAKOCIDNB-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881952 949741002 /nfs/dbraw/zinc/74/10/02/949741002.db2.gz DMZKWTAKOCIDNB-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574480061 949742106 /nfs/dbraw/zinc/74/21/06/949742106.db2.gz GSGZFJXXONGMBR-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574480061 949742117 /nfs/dbraw/zinc/74/21/17/949742117.db2.gz GSGZFJXXONGMBR-VXGBXAGGSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881904 949742975 /nfs/dbraw/zinc/74/29/75/949742975.db2.gz CXLKLHVSGHETFZ-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881904 949742989 /nfs/dbraw/zinc/74/29/89/949742989.db2.gz CXLKLHVSGHETFZ-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)CCOC1 ZINC001575558507 949743701 /nfs/dbraw/zinc/74/37/01/949743701.db2.gz QHDYFVXLAVTBQG-YRILPIOLSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)CCOC1 ZINC001575558507 949743714 /nfs/dbraw/zinc/74/37/14/949743714.db2.gz QHDYFVXLAVTBQG-YRILPIOLSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574963256 949747718 /nfs/dbraw/zinc/74/77/18/949747718.db2.gz HJLYBSWVDYFFLW-AEJSXWLSSA-N -1 3 392.851 0.733 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574963256 949747733 /nfs/dbraw/zinc/74/77/33/949747733.db2.gz HJLYBSWVDYFFLW-AEJSXWLSSA-N -1 3 392.851 0.733 20 0 GCADHM C[C@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574717794 949747777 /nfs/dbraw/zinc/74/77/77/949747777.db2.gz PYCHXMMZBBAOSL-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574717794 949747796 /nfs/dbraw/zinc/74/77/96/949747796.db2.gz PYCHXMMZBBAOSL-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574480190 949749486 /nfs/dbraw/zinc/74/94/86/949749486.db2.gz HJVPYWZDDQIAGW-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574480190 949749498 /nfs/dbraw/zinc/74/94/98/949749498.db2.gz HJVPYWZDDQIAGW-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@]1(C(=O)NC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCCC2)CCOC1 ZINC001575559194 949749856 /nfs/dbraw/zinc/74/98/56/949749856.db2.gz AATDJNBVIQZQSN-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@]1(C(=O)NC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCCC2)CCOC1 ZINC001575559194 949749866 /nfs/dbraw/zinc/74/98/66/949749866.db2.gz AATDJNBVIQZQSN-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNc2ncccc2-c2nnn[n-]2)C2CC2)CCNC(=O)C1 ZINC001575559552 949759697 /nfs/dbraw/zinc/75/96/97/949759697.db2.gz WFUCOCNCHMVRJU-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNc2ncccc2-c2nn[n-]n2)C2CC2)CCNC(=O)C1 ZINC001575559552 949759713 /nfs/dbraw/zinc/75/97/13/949759713.db2.gz WFUCOCNCHMVRJU-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574137547 949762224 /nfs/dbraw/zinc/76/22/24/949762224.db2.gz VQERWKGCHGLLTJ-CHWSQXEVSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574137547 949762240 /nfs/dbraw/zinc/76/22/40/949762240.db2.gz VQERWKGCHGLLTJ-CHWSQXEVSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@@H]3C2)CCOC1 ZINC001575559657 949762721 /nfs/dbraw/zinc/76/27/21/949762721.db2.gz XMKBQGFXCHEYBM-IUUKEHGRSA-N -1 3 385.428 0.152 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@@H]3C2)CCOC1 ZINC001575559657 949762747 /nfs/dbraw/zinc/76/27/47/949762747.db2.gz XMKBQGFXCHEYBM-IUUKEHGRSA-N -1 3 385.428 0.152 20 0 GCADHM C[C@@H](NC(=O)CCc1cscn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277974 949763908 /nfs/dbraw/zinc/76/39/08/949763908.db2.gz UCBDBKKJHMWYRF-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1cscn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277974 949763925 /nfs/dbraw/zinc/76/39/25/949763925.db2.gz UCBDBKKJHMWYRF-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CC(C)(C)CO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574718223 949769114 /nfs/dbraw/zinc/76/91/14/949769114.db2.gz ZLHNMZDRBATDIX-WCQYABFASA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CC(C)(C)CO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574718223 949769129 /nfs/dbraw/zinc/76/91/29/949769129.db2.gz ZLHNMZDRBATDIX-WCQYABFASA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1nccs1 ZINC001575278811 949770094 /nfs/dbraw/zinc/77/00/94/949770094.db2.gz VSWHHPWRWLHFCJ-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1nccs1 ZINC001575278811 949770104 /nfs/dbraw/zinc/77/01/04/949770104.db2.gz VSWHHPWRWLHFCJ-VHSXEESVSA-N -1 3 388.457 0.907 20 0 GCADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCCCC1 ZINC001575559938 949770954 /nfs/dbraw/zinc/77/09/54/949770954.db2.gz ZLIUYMXPXFMVGS-LBPRGKRZSA-N -1 3 389.460 0.762 20 0 GCADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCCCC1 ZINC001575559938 949770969 /nfs/dbraw/zinc/77/09/69/949770969.db2.gz ZLIUYMXPXFMVGS-LBPRGKRZSA-N -1 3 389.460 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cncs2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575882419 949772472 /nfs/dbraw/zinc/77/24/72/949772472.db2.gz KPDGYAALDXJNKH-ONGXEEELSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cncs2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575882419 949772489 /nfs/dbraw/zinc/77/24/89/949772489.db2.gz KPDGYAALDXJNKH-ONGXEEELSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575559952 949772303 /nfs/dbraw/zinc/77/23/03/949772303.db2.gz ZQDLUZCOQZKLFD-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575559952 949772321 /nfs/dbraw/zinc/77/23/21/949772321.db2.gz ZQDLUZCOQZKLFD-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](NC(=O)CCc1ccnn1C)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575279199 949773392 /nfs/dbraw/zinc/77/33/92/949773392.db2.gz WZHIGULHLBQMMX-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1ccnn1C)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575279199 949773409 /nfs/dbraw/zinc/77/34/09/949773409.db2.gz WZHIGULHLBQMMX-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574964412 949774817 /nfs/dbraw/zinc/77/48/17/949774817.db2.gz WASDJOLWTJCKEK-ZWNOBZJWSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574964412 949774832 /nfs/dbraw/zinc/77/48/32/949774832.db2.gz WASDJOLWTJCKEK-ZWNOBZJWSA-N -1 3 375.408 0.791 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574138062 949776365 /nfs/dbraw/zinc/77/63/65/949776365.db2.gz ZQIRLLWMKWNHNU-YPMHNXCESA-N -1 3 377.449 0.426 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574138062 949776382 /nfs/dbraw/zinc/77/63/82/949776382.db2.gz ZQIRLLWMKWNHNU-YPMHNXCESA-N -1 3 377.449 0.426 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575560078 949776292 /nfs/dbraw/zinc/77/62/92/949776292.db2.gz JUHVANZBKCPMQX-GFJXOLGBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575560078 949776304 /nfs/dbraw/zinc/77/63/04/949776304.db2.gz JUHVANZBKCPMQX-GFJXOLGBSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573821456 949776890 /nfs/dbraw/zinc/77/68/90/949776890.db2.gz CKEIYHUMGOKIHV-CHWSQXEVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573821456 949776909 /nfs/dbraw/zinc/77/69/09/949776909.db2.gz CKEIYHUMGOKIHV-CHWSQXEVSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481459 949777974 /nfs/dbraw/zinc/77/79/74/949777974.db2.gz QFKIMYPFAVPXGJ-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481459 949777990 /nfs/dbraw/zinc/77/79/90/949777990.db2.gz QFKIMYPFAVPXGJ-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574481455 949780087 /nfs/dbraw/zinc/78/00/87/949780087.db2.gz PZLRFEKTOVEDSO-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574481455 949780095 /nfs/dbraw/zinc/78/00/95/949780095.db2.gz PZLRFEKTOVEDSO-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cn1cccn1 ZINC001575882739 949787238 /nfs/dbraw/zinc/78/72/38/949787238.db2.gz NPOJAIWHYFSLPA-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cn1cccn1 ZINC001575882739 949787261 /nfs/dbraw/zinc/78/72/61/949787261.db2.gz NPOJAIWHYFSLPA-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cn1cccn1 ZINC001575882738 949788661 /nfs/dbraw/zinc/78/86/61/949788661.db2.gz NPOJAIWHYFSLPA-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cn1cccn1 ZINC001575882738 949788675 /nfs/dbraw/zinc/78/86/75/949788675.db2.gz NPOJAIWHYFSLPA-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)C1CCOCC1 ZINC001575882821 949791593 /nfs/dbraw/zinc/79/15/93/949791593.db2.gz OIOJFVNZVLSRKD-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)C1CCOCC1 ZINC001575882821 949791607 /nfs/dbraw/zinc/79/16/07/949791607.db2.gz OIOJFVNZVLSRKD-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574720606 949798622 /nfs/dbraw/zinc/79/86/22/949798622.db2.gz DTINJFDHPYBKCG-MRVPVSSYSA-N -1 3 381.828 0.232 20 0 GCADHM C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574720606 949798638 /nfs/dbraw/zinc/79/86/38/949798638.db2.gz DTINJFDHPYBKCG-MRVPVSSYSA-N -1 3 381.828 0.232 20 0 GCADHM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575280912 949799089 /nfs/dbraw/zinc/79/90/89/949799089.db2.gz BONNCXZTKOXNHN-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)COCC1CC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575280912 949799096 /nfs/dbraw/zinc/79/90/96/949799096.db2.gz BONNCXZTKOXNHN-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CNC(=O)N1 ZINC001573822631 949800838 /nfs/dbraw/zinc/80/08/38/949800838.db2.gz LEBOWEXQILGORD-MNOVXSKESA-N -1 3 391.411 0.025 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CNC(=O)N1 ZINC001573822631 949800863 /nfs/dbraw/zinc/80/08/63/949800863.db2.gz LEBOWEXQILGORD-MNOVXSKESA-N -1 3 391.411 0.025 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574720612 949802105 /nfs/dbraw/zinc/80/21/05/949802105.db2.gz DUWTYKARJRMPKJ-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574720612 949802127 /nfs/dbraw/zinc/80/21/27/949802127.db2.gz DUWTYKARJRMPKJ-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575883121 949803611 /nfs/dbraw/zinc/80/36/11/949803611.db2.gz PUDJAPRMHMRDGW-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575883121 949803630 /nfs/dbraw/zinc/80/36/30/949803630.db2.gz PUDJAPRMHMRDGW-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H](CC(=O)N1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574481793 949803833 /nfs/dbraw/zinc/80/38/33/949803833.db2.gz VLIZOAGMFAWVBA-SNVBAGLBSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@H](CC(=O)N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574481793 949803860 /nfs/dbraw/zinc/80/38/60/949803860.db2.gz VLIZOAGMFAWVBA-SNVBAGLBSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001576172396 949808196 /nfs/dbraw/zinc/80/81/96/949808196.db2.gz WQNCRGFLHJLJQQ-NSHDSACASA-N -1 3 379.446 0.189 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001576172396 949808220 /nfs/dbraw/zinc/80/82/20/949808220.db2.gz WQNCRGFLHJLJQQ-NSHDSACASA-N -1 3 379.446 0.189 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574481917 949809581 /nfs/dbraw/zinc/80/95/81/949809581.db2.gz XLYJNQWIXXLXEO-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574481917 949809596 /nfs/dbraw/zinc/80/95/96/949809596.db2.gz XLYJNQWIXXLXEO-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574721143 949809735 /nfs/dbraw/zinc/80/97/35/949809735.db2.gz JPRUOIHUVDVTNS-LLVKDONJSA-N -1 3 381.462 0.345 20 0 GCADHM C[C@H](CN(C)C(=O)CCCS(C)(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574721143 949809755 /nfs/dbraw/zinc/80/97/55/949809755.db2.gz JPRUOIHUVDVTNS-LLVKDONJSA-N -1 3 381.462 0.345 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574481919 949810352 /nfs/dbraw/zinc/81/03/52/949810352.db2.gz XLYJNQWIXXLXEO-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574481919 949810372 /nfs/dbraw/zinc/81/03/72/949810372.db2.gz XLYJNQWIXXLXEO-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CN(C)C(=O)CCN1CCOCC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574720884 949810753 /nfs/dbraw/zinc/81/07/53/949810753.db2.gz IWBHKDWFECPEEM-LBPRGKRZSA-N -1 3 392.439 0.382 20 0 GCADHM C[C@H](CN(C)C(=O)CCN1CCOCC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574720883 949812180 /nfs/dbraw/zinc/81/21/80/949812180.db2.gz IWBHKDWFECPEEM-GFCCVEGCSA-N -1 3 392.439 0.382 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COCC(F)F ZINC001575883368 949814218 /nfs/dbraw/zinc/81/42/18/949814218.db2.gz FBRRLEUUCHPRGK-SCZZXKLOSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COCC(F)F ZINC001575883368 949814233 /nfs/dbraw/zinc/81/42/33/949814233.db2.gz FBRRLEUUCHPRGK-SCZZXKLOSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281843 949819019 /nfs/dbraw/zinc/81/90/19/949819019.db2.gz HNSFGUKAXDNCMP-VXGBXAGGSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](NC(=O)COCc1nccn1C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281843 949819045 /nfs/dbraw/zinc/81/90/45/949819045.db2.gz HNSFGUKAXDNCMP-VXGBXAGGSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCn1cccc1 ZINC001575883580 949819408 /nfs/dbraw/zinc/81/94/08/949819408.db2.gz RLIGHXZZDJOPJC-JSGCOSHPSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1cccc1 ZINC001575883580 949819431 /nfs/dbraw/zinc/81/94/31/949819431.db2.gz RLIGHXZZDJOPJC-JSGCOSHPSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574721474 949819689 /nfs/dbraw/zinc/81/96/89/949819689.db2.gz MBBRBENZPGJFEN-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574721474 949819707 /nfs/dbraw/zinc/81/97/07/949819707.db2.gz MBBRBENZPGJFEN-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575883519 949822099 /nfs/dbraw/zinc/82/20/99/949822099.db2.gz RFOQPHMGNABHEY-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575883519 949822124 /nfs/dbraw/zinc/82/21/24/949822124.db2.gz RFOQPHMGNABHEY-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574139927 949823189 /nfs/dbraw/zinc/82/31/89/949823189.db2.gz LLRZLAPBBULUNP-VXGBXAGGSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574139927 949823218 /nfs/dbraw/zinc/82/32/18/949823218.db2.gz LLRZLAPBBULUNP-VXGBXAGGSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCNC1=O ZINC001575562265 949823592 /nfs/dbraw/zinc/82/35/92/949823592.db2.gz FHWBGNDCXAYVSA-APPDUMDISA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCNC1=O ZINC001575562265 949823614 /nfs/dbraw/zinc/82/36/14/949823614.db2.gz FHWBGNDCXAYVSA-APPDUMDISA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576172880 949824504 /nfs/dbraw/zinc/82/45/04/949824504.db2.gz YYFNFDKFMNKRFT-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576172880 949824524 /nfs/dbraw/zinc/82/45/24/949824524.db2.gz YYFNFDKFMNKRFT-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574483574 949824630 /nfs/dbraw/zinc/82/46/30/949824630.db2.gz DILRVMYYYMQDBE-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574483574 949824649 /nfs/dbraw/zinc/82/46/49/949824649.db2.gz DILRVMYYYMQDBE-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574139924 949824637 /nfs/dbraw/zinc/82/46/37/949824637.db2.gz LLRZLAPBBULUNP-NEPJUHHUSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574139924 949824658 /nfs/dbraw/zinc/82/46/58/949824658.db2.gz LLRZLAPBBULUNP-NEPJUHHUSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)c1nccnc1N ZINC001573823346 949825298 /nfs/dbraw/zinc/82/52/98/949825298.db2.gz VFSKRVYGEPRQAW-NSHDSACASA-N -1 3 382.432 0.891 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)c1nccnc1N ZINC001573823346 949825317 /nfs/dbraw/zinc/82/53/17/949825317.db2.gz VFSKRVYGEPRQAW-NSHDSACASA-N -1 3 382.432 0.891 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CC(=O)N1CCCC1 ZINC001575883682 949827174 /nfs/dbraw/zinc/82/71/74/949827174.db2.gz SIYBPMHUPMTMLU-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccc1 ZINC001574483595 949829388 /nfs/dbraw/zinc/82/93/88/949829388.db2.gz FCWGAFIUWZSKRH-CYBMUJFWSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccc1 ZINC001574483595 949829401 /nfs/dbraw/zinc/82/94/01/949829401.db2.gz FCWGAFIUWZSKRH-CYBMUJFWSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575883802 949830080 /nfs/dbraw/zinc/83/00/80/949830080.db2.gz HGFCHFBXMRKCKS-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575883802 949830096 /nfs/dbraw/zinc/83/00/96/949830096.db2.gz HGFCHFBXMRKCKS-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574722137 949833844 /nfs/dbraw/zinc/83/38/44/949833844.db2.gz PXXRCOGESGDETF-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574722137 949833866 /nfs/dbraw/zinc/83/38/66/949833866.db2.gz PXXRCOGESGDETF-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1ccnc1 ZINC001574483746 949835086 /nfs/dbraw/zinc/83/50/86/949835086.db2.gz KZUOJZHRKWRJBF-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1ccnc1 ZINC001574483746 949835103 /nfs/dbraw/zinc/83/51/03/949835103.db2.gz KZUOJZHRKWRJBF-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ncccn1 ZINC001575883942 949835074 /nfs/dbraw/zinc/83/50/74/949835074.db2.gz SXCMNTIWYBBONL-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ncccn1 ZINC001575883942 949835095 /nfs/dbraw/zinc/83/50/95/949835095.db2.gz SXCMNTIWYBBONL-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575883941 949835667 /nfs/dbraw/zinc/83/56/67/949835667.db2.gz HPISBIQXQNLDSI-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575883941 949835686 /nfs/dbraw/zinc/83/56/86/949835686.db2.gz HPISBIQXQNLDSI-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CC(=O)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1)NC(N)=O ZINC001574483732 949837333 /nfs/dbraw/zinc/83/73/33/949837333.db2.gz KGEHSRJRMMPHSY-NSHDSACASA-N -1 3 390.423 0.097 20 0 GCADHM C[C@@H](CC(=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1)NC(N)=O ZINC001574483732 949837341 /nfs/dbraw/zinc/83/73/41/949837341.db2.gz KGEHSRJRMMPHSY-NSHDSACASA-N -1 3 390.423 0.097 20 0 GCADHM C[C@@H](NC(=O)CCn1ccnc1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575282497 949838472 /nfs/dbraw/zinc/83/84/72/949838472.db2.gz CGQGHOUMOYKJED-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576173811 949843250 /nfs/dbraw/zinc/84/32/50/949843250.db2.gz ZDQNCNITNXPGRC-DGCLKSJQSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576173811 949843276 /nfs/dbraw/zinc/84/32/76/949843276.db2.gz ZDQNCNITNXPGRC-DGCLKSJQSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)COC1CCOCC1 ZINC001575282663 949845679 /nfs/dbraw/zinc/84/56/79/949845679.db2.gz LONRHSZXINOEIG-WDEREUQCSA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)COC1CCOCC1 ZINC001575282663 949845710 /nfs/dbraw/zinc/84/57/10/949845710.db2.gz LONRHSZXINOEIG-WDEREUQCSA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC001574483910 949847272 /nfs/dbraw/zinc/84/72/72/949847272.db2.gz PTUOLANZLNPOOT-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC001574483910 949847298 /nfs/dbraw/zinc/84/72/98/949847298.db2.gz PTUOLANZLNPOOT-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575563852 949847516 /nfs/dbraw/zinc/84/75/16/949847516.db2.gz MPLREJCVGNLXDO-ACJLOTCBSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575563852 949847538 /nfs/dbraw/zinc/84/75/38/949847538.db2.gz MPLREJCVGNLXDO-ACJLOTCBSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574966499 949848886 /nfs/dbraw/zinc/84/88/86/949848886.db2.gz ZTLSVWBPMYYKOQ-VOJFVSQTSA-N -1 3 389.435 0.611 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575283100 949853233 /nfs/dbraw/zinc/85/32/33/949853233.db2.gz NKGRQHNIRNPIMG-WDEREUQCSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001574966701 949853350 /nfs/dbraw/zinc/85/33/50/949853350.db2.gz BJDKLMWZNYLYIO-GOSISDBHSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001574966701 949853371 /nfs/dbraw/zinc/85/33/71/949853371.db2.gz BJDKLMWZNYLYIO-GOSISDBHSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cccnn1)C1CC1 ZINC001574966635 949855329 /nfs/dbraw/zinc/85/53/29/949855329.db2.gz ASDYGPBZWNJNLE-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cccnn1)C1CC1 ZINC001574966635 949855349 /nfs/dbraw/zinc/85/53/49/949855349.db2.gz ASDYGPBZWNJNLE-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574142136 949857437 /nfs/dbraw/zinc/85/74/37/949857437.db2.gz WKMGTOJIAKGPQR-QWHCGFSZSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574142136 949857453 /nfs/dbraw/zinc/85/74/53/949857453.db2.gz WKMGTOJIAKGPQR-QWHCGFSZSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575885074 949858632 /nfs/dbraw/zinc/85/86/32/949858632.db2.gz KHAOXPAKMCOEBY-ZYHUDNBSSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575885074 949858655 /nfs/dbraw/zinc/85/86/55/949858655.db2.gz KHAOXPAKMCOEBY-ZYHUDNBSSA-N -1 3 375.433 0.729 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573824955 949859513 /nfs/dbraw/zinc/85/95/13/949859513.db2.gz JBLNBKLKQUOVAY-ZWNOBZJWSA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573824955 949859533 /nfs/dbraw/zinc/85/95/33/949859533.db2.gz JBLNBKLKQUOVAY-ZWNOBZJWSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H](NC(=O)COC1CCOCC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575283144 949859976 /nfs/dbraw/zinc/85/99/76/949859976.db2.gz NUZZSJGNRVQABN-GHMZBOCLSA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@H](NC(=O)COC1CCOCC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575283144 949860004 /nfs/dbraw/zinc/86/00/04/949860004.db2.gz NUZZSJGNRVQABN-GHMZBOCLSA-N -1 3 391.432 0.013 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cn1ccnc1)C1CC1 ZINC001574966951 949861952 /nfs/dbraw/zinc/86/19/52/949861952.db2.gz DCXWKACSKAWPMS-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001574142169 949863022 /nfs/dbraw/zinc/86/30/22/949863022.db2.gz WTWRBCKBUZKHGX-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001574142169 949863036 /nfs/dbraw/zinc/86/30/36/949863036.db2.gz WTWRBCKBUZKHGX-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNc1ncnc2c1ncn2C ZINC001574967035 949862907 /nfs/dbraw/zinc/86/29/07/949862907.db2.gz DWAPPUFHADSZJK-VIFPVBQESA-N -1 3 381.404 0.350 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNc1ncnc2c1ncn2C ZINC001574967035 949862930 /nfs/dbraw/zinc/86/29/30/949862930.db2.gz DWAPPUFHADSZJK-VIFPVBQESA-N -1 3 381.404 0.350 20 0 GCADHM C[C@]1(C(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)CCNC1=O ZINC001575564603 949864562 /nfs/dbraw/zinc/86/45/62/949864562.db2.gz QQGGRBOIAJBQKD-GFJXOLGBSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@]1(C(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)CCNC1=O ZINC001575564603 949864585 /nfs/dbraw/zinc/86/45/85/949864585.db2.gz QQGGRBOIAJBQKD-GFJXOLGBSA-N -1 3 384.444 0.627 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573825192 949864861 /nfs/dbraw/zinc/86/48/61/949864861.db2.gz MEPLQZHASMGUTF-CQSZACIVSA-N -1 3 386.460 0.250 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573825192 949864887 /nfs/dbraw/zinc/86/48/87/949864887.db2.gz MEPLQZHASMGUTF-CQSZACIVSA-N -1 3 386.460 0.250 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574484199 949867190 /nfs/dbraw/zinc/86/71/90/949867190.db2.gz FHRYQTODAABAOV-GXSJLCMTSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574484199 949867211 /nfs/dbraw/zinc/86/72/11/949867211.db2.gz FHRYQTODAABAOV-GXSJLCMTSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574724615 949870139 /nfs/dbraw/zinc/87/01/39/949870139.db2.gz IHOYVLQTBYREQI-GFCCVEGCSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1cnccc1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574724615 949870159 /nfs/dbraw/zinc/87/01/59/949870159.db2.gz IHOYVLQTBYREQI-GFCCVEGCSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@]1(C(=O)NC2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575564770 949871887 /nfs/dbraw/zinc/87/18/87/949871887.db2.gz SHNKXXLSFKWLID-PWGQDJSOSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@]1(C(=O)NC2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575564770 949871894 /nfs/dbraw/zinc/87/18/94/949871894.db2.gz SHNKXXLSFKWLID-PWGQDJSOSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1)NC(N)=O ZINC001574484289 949872259 /nfs/dbraw/zinc/87/22/59/949872259.db2.gz XYORQQINBWNYHG-LLVKDONJSA-N -1 3 390.423 0.097 20 0 GCADHM C[C@H](CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1)NC(N)=O ZINC001574484289 949872278 /nfs/dbraw/zinc/87/22/78/949872278.db2.gz XYORQQINBWNYHG-LLVKDONJSA-N -1 3 390.423 0.097 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCc1ccon1 ZINC001575885639 949873282 /nfs/dbraw/zinc/87/32/82/949873282.db2.gz KPRZGHOPUVURTI-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCc1ccon1 ZINC001575885639 949873299 /nfs/dbraw/zinc/87/32/99/949873299.db2.gz KPRZGHOPUVURTI-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574967711 949875090 /nfs/dbraw/zinc/87/50/90/949875090.db2.gz JORSDIYSJRTZLZ-NSHDSACASA-N -1 3 381.444 0.739 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574967711 949875115 /nfs/dbraw/zinc/87/51/15/949875115.db2.gz JORSDIYSJRTZLZ-NSHDSACASA-N -1 3 381.444 0.739 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CC1CCOCC1 ZINC001575886258 949878717 /nfs/dbraw/zinc/87/87/17/949878717.db2.gz XQYQACMGADSMEX-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CC1CCOCC1 ZINC001575886258 949878738 /nfs/dbraw/zinc/87/87/38/949878738.db2.gz XQYQACMGADSMEX-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cn1ccnc1 ZINC001575886181 949879077 /nfs/dbraw/zinc/87/90/77/949879077.db2.gz XKGNEVXMZXLOEV-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cn1cccn1 ZINC001575886413 949881351 /nfs/dbraw/zinc/88/13/51/949881351.db2.gz MFZHKGDZBMWDKS-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cn1cccn1 ZINC001575886413 949881371 /nfs/dbraw/zinc/88/13/71/949881371.db2.gz MFZHKGDZBMWDKS-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC(F)(F)C1 ZINC001575565657 949882101 /nfs/dbraw/zinc/88/21/01/949882101.db2.gz XAYCRVGMMWGCJG-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC(F)(F)C1 ZINC001575565657 949882126 /nfs/dbraw/zinc/88/21/26/949882126.db2.gz XAYCRVGMMWGCJG-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001574967956 949884220 /nfs/dbraw/zinc/88/42/20/949884220.db2.gz KJLPLQAKVPUMAN-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001574967956 949884245 /nfs/dbraw/zinc/88/42/45/949884245.db2.gz KJLPLQAKVPUMAN-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cn1cccn1 ZINC001575886410 949884455 /nfs/dbraw/zinc/88/44/55/949884455.db2.gz MFZHKGDZBMWDKS-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cn1cccn1 ZINC001575886410 949884481 /nfs/dbraw/zinc/88/44/81/949884481.db2.gz MFZHKGDZBMWDKS-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cccnc1)C1CC1 ZINC001574968128 949886575 /nfs/dbraw/zinc/88/65/75/949886575.db2.gz LUCRXMOGLRDHKC-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cccnc1)C1CC1 ZINC001574968128 949886591 /nfs/dbraw/zinc/88/65/91/949886591.db2.gz LUCRXMOGLRDHKC-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484612 949886917 /nfs/dbraw/zinc/88/69/17/949886917.db2.gz KVFYDDRQVOKKOX-YPMHNXCESA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484612 949886935 /nfs/dbraw/zinc/88/69/35/949886935.db2.gz KVFYDDRQVOKKOX-YPMHNXCESA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575886977 949891247 /nfs/dbraw/zinc/89/12/47/949891247.db2.gz YEAYSODDJGVSFX-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575886977 949891276 /nfs/dbraw/zinc/89/12/76/949891276.db2.gz YEAYSODDJGVSFX-WFASDCNBSA-N -1 3 381.444 0.711 20 0 GCADHM CC(C)(C)[C@H]1CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001573825718 949891658 /nfs/dbraw/zinc/89/16/58/949891658.db2.gz BQWYJWUPXUGQCH-CYBMUJFWSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)(C)[C@H]1CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001573825718 949891668 /nfs/dbraw/zinc/89/16/68/949891668.db2.gz BQWYJWUPXUGQCH-CYBMUJFWSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574143430 949893496 /nfs/dbraw/zinc/89/34/96/949893496.db2.gz HOPDOVXNDZIMDQ-JSGCOSHPSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574143430 949893519 /nfs/dbraw/zinc/89/35/19/949893519.db2.gz HOPDOVXNDZIMDQ-JSGCOSHPSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575284178 949893997 /nfs/dbraw/zinc/89/39/97/949893997.db2.gz HZCYGSZZTJEFFU-RISCZKNCSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001574968358 949894452 /nfs/dbraw/zinc/89/44/52/949894452.db2.gz OGDIGPXGWDLNSW-KRWDZBQOSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574725215 949894443 /nfs/dbraw/zinc/89/44/43/949894443.db2.gz PUIARUWRSBTLSV-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574725215 949894467 /nfs/dbraw/zinc/89/44/67/949894467.db2.gz PUIARUWRSBTLSV-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001574968530 949897554 /nfs/dbraw/zinc/89/75/54/949897554.db2.gz POOMNUJWXSXEPP-ACJLOTCBSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001574968530 949897572 /nfs/dbraw/zinc/89/75/72/949897572.db2.gz POOMNUJWXSXEPP-ACJLOTCBSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574484745 949897670 /nfs/dbraw/zinc/89/76/70/949897670.db2.gz NGXTYGBWIYKKTO-MWLCHTKSSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574484745 949897692 /nfs/dbraw/zinc/89/76/92/949897692.db2.gz NGXTYGBWIYKKTO-MWLCHTKSSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575887310 949901544 /nfs/dbraw/zinc/90/15/44/949901544.db2.gz YSSWZVVQGRNSLI-SKDRFNHKSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575887310 949901560 /nfs/dbraw/zinc/90/15/60/949901560.db2.gz YSSWZVVQGRNSLI-SKDRFNHKSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cnccn1)C1CC1 ZINC001574968575 949905661 /nfs/dbraw/zinc/90/56/61/949905661.db2.gz QDKCQUUUXSUUNI-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cnccn1)C1CC1 ZINC001574968575 949905689 /nfs/dbraw/zinc/90/56/89/949905689.db2.gz QDKCQUUUXSUUNI-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574725685 949908720 /nfs/dbraw/zinc/90/87/20/949908720.db2.gz ANGHUXPQAKKFBZ-VIFPVBQESA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574725685 949908745 /nfs/dbraw/zinc/90/87/45/949908745.db2.gz ANGHUXPQAKKFBZ-VIFPVBQESA-N -1 3 376.396 0.186 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575569136 949909150 /nfs/dbraw/zinc/90/91/50/949909150.db2.gz GSUAZFXVPNDGMW-SCLBCKFNSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575569136 949909165 /nfs/dbraw/zinc/90/91/65/949909165.db2.gz GSUAZFXVPNDGMW-SCLBCKFNSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1n[nH]c2c1CCC2 ZINC001574968790 949909569 /nfs/dbraw/zinc/90/95/69/949909569.db2.gz SFQYWXHILKRBDI-VIFPVBQESA-N -1 3 383.416 0.203 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(Cl)c[nH]1 ZINC001574968887 949917221 /nfs/dbraw/zinc/91/72/21/949917221.db2.gz UYDDXNUYTXWDNY-MRVPVSSYSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(Cl)c[nH]1 ZINC001574968887 949917239 /nfs/dbraw/zinc/91/72/39/949917239.db2.gz UYDDXNUYTXWDNY-MRVPVSSYSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575887929 949917443 /nfs/dbraw/zinc/91/74/43/949917443.db2.gz PFGFBXWDTYIQMS-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575887929 949917461 /nfs/dbraw/zinc/91/74/61/949917461.db2.gz PFGFBXWDTYIQMS-MFKMUULPSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCOCC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574725995 949917528 /nfs/dbraw/zinc/91/75/28/949917528.db2.gz FHXVTAWXOYTAKF-LLVKDONJSA-N -1 3 391.407 0.123 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCOCC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574725995 949917549 /nfs/dbraw/zinc/91/75/49/949917549.db2.gz FHXVTAWXOYTAKF-LLVKDONJSA-N -1 3 391.407 0.123 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574144605 949917718 /nfs/dbraw/zinc/91/77/18/949917718.db2.gz PZJNYFSXNKECTJ-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574144605 949917726 /nfs/dbraw/zinc/91/77/26/949917726.db2.gz PZJNYFSXNKECTJ-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575284720 949918793 /nfs/dbraw/zinc/91/87/93/949918793.db2.gz WBACLOJNKLGMKW-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575284720 949918820 /nfs/dbraw/zinc/91/88/20/949918820.db2.gz WBACLOJNKLGMKW-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576179534 949919431 /nfs/dbraw/zinc/91/94/31/949919431.db2.gz AQGARHQTAFOFMG-VXGBXAGGSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1CCN(C(=O)CC(C)(C)O)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576179534 949919454 /nfs/dbraw/zinc/91/94/54/949919454.db2.gz AQGARHQTAFOFMG-VXGBXAGGSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1=O)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575284846 949919611 /nfs/dbraw/zinc/91/96/11/949919611.db2.gz KMUNELPOLXHRPF-NXEZZACHSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1=O)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575284846 949919633 /nfs/dbraw/zinc/91/96/33/949919633.db2.gz KMUNELPOLXHRPF-NXEZZACHSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnn(C)n1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574725984 949920089 /nfs/dbraw/zinc/92/00/89/949920089.db2.gz WNFNOQARAIRTKI-SNVBAGLBSA-N -1 3 388.411 0.421 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnn(C)n1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574725984 949920108 /nfs/dbraw/zinc/92/01/08/949920108.db2.gz WNFNOQARAIRTKI-SNVBAGLBSA-N -1 3 388.411 0.421 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001574968954 949919983 /nfs/dbraw/zinc/91/99/83/949919983.db2.gz WPWPRPCZCHUSKC-SNVBAGLBSA-N -1 3 385.432 0.378 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccccn1)C1CC1 ZINC001574969006 949922141 /nfs/dbraw/zinc/92/21/41/949922141.db2.gz XTNYQZSRSGQMKT-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccccn1)C1CC1 ZINC001574969006 949922158 /nfs/dbraw/zinc/92/21/58/949922158.db2.gz XTNYQZSRSGQMKT-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001574969081 949927285 /nfs/dbraw/zinc/92/72/85/949927285.db2.gz ZEEPUDGUVPQPLB-VOJFVSQTSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@H]1CCCOC1)C1CC1 ZINC001574969081 949927292 /nfs/dbraw/zinc/92/72/92/949927292.db2.gz ZEEPUDGUVPQPLB-VOJFVSQTSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574726242 949928735 /nfs/dbraw/zinc/92/87/35/949928735.db2.gz HFMLGIHNSGVBJX-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574726242 949928755 /nfs/dbraw/zinc/92/87/55/949928755.db2.gz HFMLGIHNSGVBJX-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576180059 949931874 /nfs/dbraw/zinc/93/18/74/949931874.db2.gz GZNULEUPBLPLBF-WCQYABFASA-N -1 3 382.432 0.545 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576180059 949931895 /nfs/dbraw/zinc/93/18/95/949931895.db2.gz GZNULEUPBLPLBF-WCQYABFASA-N -1 3 382.432 0.545 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180059 949931915 /nfs/dbraw/zinc/93/19/15/949931915.db2.gz GZNULEUPBLPLBF-WCQYABFASA-N -1 3 382.432 0.545 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](C)NC(=O)CN1CCOCC1 ZINC001575285036 949932972 /nfs/dbraw/zinc/93/29/72/949932972.db2.gz LPNHMWBRTNATFK-NEPJUHHUSA-N -1 3 377.424 0.643 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](C)NC(=O)CN1CCOCC1 ZINC001575285036 949932985 /nfs/dbraw/zinc/93/29/85/949932985.db2.gz LPNHMWBRTNATFK-NEPJUHHUSA-N -1 3 377.424 0.643 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C1(F)CCOCC1 ZINC001574972170 949933065 /nfs/dbraw/zinc/93/30/65/949933065.db2.gz BHYFEXBUBKHHED-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C1(F)CCOCC1 ZINC001574972170 949933080 /nfs/dbraw/zinc/93/30/80/949933080.db2.gz BHYFEXBUBKHHED-JTQLQIEISA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C1(F)CCOCC1 ZINC001574972171 949935193 /nfs/dbraw/zinc/93/51/93/949935193.db2.gz BHYFEXBUBKHHED-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C1(F)CCOCC1 ZINC001574972171 949935212 /nfs/dbraw/zinc/93/52/12/949935212.db2.gz BHYFEXBUBKHHED-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575285232 949937758 /nfs/dbraw/zinc/93/77/58/949937758.db2.gz ZUIUFWVYEBVQKQ-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575285232 949937776 /nfs/dbraw/zinc/93/77/76/949937776.db2.gz ZUIUFWVYEBVQKQ-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574726552 949938570 /nfs/dbraw/zinc/93/85/70/949938570.db2.gz KALWSQBCNAWODT-GFCCVEGCSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574726552 949938592 /nfs/dbraw/zinc/93/85/92/949938592.db2.gz KALWSQBCNAWODT-GFCCVEGCSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001574487735 949939049 /nfs/dbraw/zinc/93/90/49/949939049.db2.gz BMIWEJYIOWMHJO-JQWIXIFHSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001574487735 949939075 /nfs/dbraw/zinc/93/90/75/949939075.db2.gz BMIWEJYIOWMHJO-JQWIXIFHSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)COC1CCCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574726481 949939922 /nfs/dbraw/zinc/93/99/22/949939922.db2.gz IYFQGOHHIDUQTF-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)COC1CCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574726481 949939946 /nfs/dbraw/zinc/93/99/46/949939946.db2.gz IYFQGOHHIDUQTF-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ncccc1-c1nnn[n-]1 ZINC001574726541 949941149 /nfs/dbraw/zinc/94/11/49/949941149.db2.gz JXSFYJDCQMXOLA-CHWSQXEVSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ncccc1-c1nn[n-]n1 ZINC001574726541 949941161 /nfs/dbraw/zinc/94/11/61/949941161.db2.gz JXSFYJDCQMXOLA-CHWSQXEVSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccnn1C ZINC001575890142 949941772 /nfs/dbraw/zinc/94/17/72/949941772.db2.gz VOHHJYWYXKMKMD-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccnn1C ZINC001575890142 949941789 /nfs/dbraw/zinc/94/17/89/949941789.db2.gz VOHHJYWYXKMKMD-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)C[C@@H](C)N(C)C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574146366 949944968 /nfs/dbraw/zinc/94/49/68/949944968.db2.gz YWJXSTGYZQTHGU-GFCCVEGCSA-N -1 3 388.476 0.502 20 0 GCADHM CC(C)C[C@@H](C)N(C)C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574146366 949944986 /nfs/dbraw/zinc/94/49/86/949944986.db2.gz YWJXSTGYZQTHGU-GFCCVEGCSA-N -1 3 388.476 0.502 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574146340 949946563 /nfs/dbraw/zinc/94/65/63/949946563.db2.gz YBHSCVSUFKXUGG-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@]1(C)CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574146340 949946579 /nfs/dbraw/zinc/94/65/79/949946579.db2.gz YBHSCVSUFKXUGG-UGSOOPFHSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001575890202 949947905 /nfs/dbraw/zinc/94/79/05/949947905.db2.gz WFESFVFUMBUNNB-GXTWGEPZSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001575890202 949947934 /nfs/dbraw/zinc/94/79/34/949947934.db2.gz WFESFVFUMBUNNB-GXTWGEPZSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1=COCCO1 ZINC001574147743 949950653 /nfs/dbraw/zinc/95/06/53/949950653.db2.gz BIMXDTGDZLWISI-NSHDSACASA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1=COCCO1 ZINC001574147743 949950678 /nfs/dbraw/zinc/95/06/78/949950678.db2.gz BIMXDTGDZLWISI-NSHDSACASA-N -1 3 389.416 0.344 20 0 GCADHM C[C@@H](NC(=O)CCn1ccnn1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575285646 949951306 /nfs/dbraw/zinc/95/13/06/949951306.db2.gz PNKVBOJHSLELPC-LLVKDONJSA-N -1 3 387.473 0.547 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCO1 ZINC001574147831 949953464 /nfs/dbraw/zinc/95/34/64/949953464.db2.gz DHYUDHAKAPKFDO-JSGCOSHPSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCO1 ZINC001574147831 949953480 /nfs/dbraw/zinc/95/34/80/949953480.db2.gz DHYUDHAKAPKFDO-JSGCOSHPSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCCO1 ZINC001574147833 949953658 /nfs/dbraw/zinc/95/36/58/949953658.db2.gz DHYUDHAKAPKFDO-TZMCWYRMSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCO1 ZINC001574147833 949953673 /nfs/dbraw/zinc/95/36/73/949953673.db2.gz DHYUDHAKAPKFDO-TZMCWYRMSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1n[nH]cc1F ZINC001574147840 949956557 /nfs/dbraw/zinc/95/65/57/949956557.db2.gz DMNGMEYIAAEACM-JTQLQIEISA-N -1 3 389.395 0.632 20 0 GCADHM C[C@H](NC(=O)CCn1ccnn1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575285647 949960730 /nfs/dbraw/zinc/96/07/30/949960730.db2.gz PNKVBOJHSLELPC-NSHDSACASA-N -1 3 387.473 0.547 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573829684 949961588 /nfs/dbraw/zinc/96/15/88/949961588.db2.gz BJCFGISWAGNVGV-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573829684 949961606 /nfs/dbraw/zinc/96/16/06/949961606.db2.gz BJCFGISWAGNVGV-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576180564 949962048 /nfs/dbraw/zinc/96/20/48/949962048.db2.gz FDOMKQSMLHMXRN-STQMWFEESA-N -1 3 386.460 0.814 20 0 GCADHM C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576180564 949962062 /nfs/dbraw/zinc/96/20/62/949962062.db2.gz FDOMKQSMLHMXRN-STQMWFEESA-N -1 3 386.460 0.814 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574727313 949963029 /nfs/dbraw/zinc/96/30/29/949963029.db2.gz RVARIFYNFCKCNA-SNVBAGLBSA-N -1 3 392.851 0.796 20 0 GCADHM C[C@H](CN(C)C(=O)CN1CCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574727313 949963050 /nfs/dbraw/zinc/96/30/50/949963050.db2.gz RVARIFYNFCKCNA-SNVBAGLBSA-N -1 3 392.851 0.796 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnccn1 ZINC001574148009 949963880 /nfs/dbraw/zinc/96/38/80/949963880.db2.gz ISZYNYCEESVSAC-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnccn1 ZINC001574148009 949963906 /nfs/dbraw/zinc/96/39/06/949963906.db2.gz ISZYNYCEESVSAC-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575286039 949967000 /nfs/dbraw/zinc/96/70/00/949967000.db2.gz SKIPBRNEFMHTIZ-QWHCGFSZSA-N -1 3 382.428 0.819 20 0 GCADHM C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575286039 949967019 /nfs/dbraw/zinc/96/70/19/949967019.db2.gz SKIPBRNEFMHTIZ-QWHCGFSZSA-N -1 3 382.428 0.819 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1c[nH]cn1 ZINC001574147944 949967588 /nfs/dbraw/zinc/96/75/88/949967588.db2.gz GXBUTDTZEVRGFO-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC1(C(=O)NC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCOCC1 ZINC001575572106 949968000 /nfs/dbraw/zinc/96/80/00/949968000.db2.gz DPOLAAWSYUBHIN-CQSZACIVSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCOCC1 ZINC001575572106 949968015 /nfs/dbraw/zinc/96/80/15/949968015.db2.gz DPOLAAWSYUBHIN-CQSZACIVSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574727534 949969571 /nfs/dbraw/zinc/96/95/71/949969571.db2.gz UWILNSSZEPOONN-NSHDSACASA-N -1 3 375.408 0.887 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574727534 949969594 /nfs/dbraw/zinc/96/95/94/949969594.db2.gz UWILNSSZEPOONN-NSHDSACASA-N -1 3 375.408 0.887 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C(C)(C)C ZINC001574489702 949970355 /nfs/dbraw/zinc/97/03/55/949970355.db2.gz LAMZRJQXGKLBDR-GDLCADMTSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C(C)(C)C ZINC001574489702 949970379 /nfs/dbraw/zinc/97/03/79/949970379.db2.gz LAMZRJQXGKLBDR-GDLCADMTSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccco1 ZINC001575286245 949972026 /nfs/dbraw/zinc/97/20/26/949972026.db2.gz UYWALXJZUSDDPZ-SNVBAGLBSA-N -1 3 384.400 0.079 20 0 GCADHM C[C@@H](NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccco1 ZINC001575286245 949972056 /nfs/dbraw/zinc/97/20/56/949972056.db2.gz UYWALXJZUSDDPZ-SNVBAGLBSA-N -1 3 384.400 0.079 20 0 GCADHM C[C@H](NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccco1 ZINC001575286244 949972088 /nfs/dbraw/zinc/97/20/88/949972088.db2.gz UYWALXJZUSDDPZ-JTQLQIEISA-N -1 3 384.400 0.079 20 0 GCADHM C[C@H](NC(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccco1 ZINC001575286244 949972113 /nfs/dbraw/zinc/97/21/13/949972113.db2.gz UYWALXJZUSDDPZ-JTQLQIEISA-N -1 3 384.400 0.079 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575286179 949972967 /nfs/dbraw/zinc/97/29/67/949972967.db2.gz UDOZTRCVZCZXLP-BXUZGUMPSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575286179 949972984 /nfs/dbraw/zinc/97/29/84/949972984.db2.gz UDOZTRCVZCZXLP-BXUZGUMPSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575286206 949973062 /nfs/dbraw/zinc/97/30/62/949973062.db2.gz URSNCIVPXFLHMW-NWDGAFQWSA-N -1 3 383.416 0.214 20 0 GCADHM C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575286206 949973078 /nfs/dbraw/zinc/97/30/78/949973078.db2.gz URSNCIVPXFLHMW-NWDGAFQWSA-N -1 3 383.416 0.214 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148040 949973971 /nfs/dbraw/zinc/97/39/71/949973971.db2.gz JHCRDLRAOBAPFW-WCQYABFASA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148040 949973992 /nfs/dbraw/zinc/97/39/92/949973992.db2.gz JHCRDLRAOBAPFW-WCQYABFASA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574148107 949974754 /nfs/dbraw/zinc/97/47/54/949974754.db2.gz KKRRFILACIZGSB-LXIYXOSZSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001574148107 949974773 /nfs/dbraw/zinc/97/47/73/949974773.db2.gz KKRRFILACIZGSB-LXIYXOSZSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnns1 ZINC001574148119 949975763 /nfs/dbraw/zinc/97/57/63/949975763.db2.gz KXKVCOKAJVSUFN-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnns1 ZINC001574148119 949975791 /nfs/dbraw/zinc/97/57/91/949975791.db2.gz KXKVCOKAJVSUFN-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@]1(C(=O)NC[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CCCOC1 ZINC001575572577 949978268 /nfs/dbraw/zinc/97/82/68/949978268.db2.gz GSASIVGTPCMXNM-BZNIZROVSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@]1(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CCCOC1 ZINC001575572577 949978286 /nfs/dbraw/zinc/97/82/86/949978286.db2.gz GSASIVGTPCMXNM-BZNIZROVSA-N -1 3 379.396 0.107 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCOC1 ZINC001575572568 949978323 /nfs/dbraw/zinc/97/83/23/949978323.db2.gz GOVGLVWGJUQCJQ-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCOC1 ZINC001575572568 949978342 /nfs/dbraw/zinc/97/83/42/949978342.db2.gz GOVGLVWGJUQCJQ-KBXCAEBGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCNC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574727701 949978734 /nfs/dbraw/zinc/97/87/34/949978734.db2.gz XUAKXSINZOJNGB-NSHDSACASA-N -1 3 390.423 0.680 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCNC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574727701 949978751 /nfs/dbraw/zinc/97/87/51/949978751.db2.gz XUAKXSINZOJNGB-NSHDSACASA-N -1 3 390.423 0.680 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C)C1CC1 ZINC001575286403 949980137 /nfs/dbraw/zinc/98/01/37/949980137.db2.gz WBHIHDRJATVBAF-LOWVWBTDSA-N -1 3 386.460 0.302 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C)C1CC1 ZINC001575286403 949980184 /nfs/dbraw/zinc/98/01/84/949980184.db2.gz WBHIHDRJATVBAF-LOWVWBTDSA-N -1 3 386.460 0.302 20 0 GCADHM C[C@@H](CC(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)NC(N)=O ZINC001574490169 949982044 /nfs/dbraw/zinc/98/20/44/949982044.db2.gz NVRPQXWWOCPIOA-BTDLBPIBSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@H](CC(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)NC(N)=O ZINC001574490169 949982065 /nfs/dbraw/zinc/98/20/65/949982065.db2.gz NVRPQXWWOCPIOA-BTDLBPIBSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576180970 949982714 /nfs/dbraw/zinc/98/27/14/949982714.db2.gz QSXWPUOTUZISMT-CMPLNLGQSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576180970 949982737 /nfs/dbraw/zinc/98/27/37/949982737.db2.gz QSXWPUOTUZISMT-CMPLNLGQSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C1CC1)[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575286493 949982745 /nfs/dbraw/zinc/98/27/45/949982745.db2.gz XFUMICXMVUXALB-NXEZZACHSA-N -1 3 375.408 0.837 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)C1CC1)[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575286493 949982763 /nfs/dbraw/zinc/98/27/63/949982763.db2.gz XFUMICXMVUXALB-NXEZZACHSA-N -1 3 375.408 0.837 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCO1 ZINC001574148398 949983172 /nfs/dbraw/zinc/98/31/72/949983172.db2.gz MIVUCSDNCPQNEO-GXTWGEPZSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCO1 ZINC001574148398 949983188 /nfs/dbraw/zinc/98/31/88/949983188.db2.gz MIVUCSDNCPQNEO-GXTWGEPZSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1ccncc1 ZINC001574974404 949984251 /nfs/dbraw/zinc/98/42/51/949984251.db2.gz PVCFQSOJGGKHDZ-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1ccncc1 ZINC001574974404 949984273 /nfs/dbraw/zinc/98/42/73/949984273.db2.gz PVCFQSOJGGKHDZ-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccncn1 ZINC001574148423 949984283 /nfs/dbraw/zinc/98/42/83/949984283.db2.gz MVUGFEFNMRDEFL-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccncn1 ZINC001574148423 949984305 /nfs/dbraw/zinc/98/43/05/949984305.db2.gz MVUGFEFNMRDEFL-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573831059 949985561 /nfs/dbraw/zinc/98/55/61/949985561.db2.gz RNRYPADBFCEMGH-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573831059 949985576 /nfs/dbraw/zinc/98/55/76/949985576.db2.gz RNRYPADBFCEMGH-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1cccn1 ZINC001574148701 949986859 /nfs/dbraw/zinc/98/68/59/949986859.db2.gz OUCJURQXXSOYSU-LBPRGKRZSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1cccn1 ZINC001574148701 949986880 /nfs/dbraw/zinc/98/68/80/949986880.db2.gz OUCJURQXXSOYSU-LBPRGKRZSA-N -1 3 385.432 0.352 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001576181027 949987714 /nfs/dbraw/zinc/98/77/14/949987714.db2.gz GUNDKMALUGCZBV-AWEZNQCLSA-N -1 3 386.460 0.257 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001576181027 949987733 /nfs/dbraw/zinc/98/77/33/949987733.db2.gz GUNDKMALUGCZBV-AWEZNQCLSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)nc1)NC(=O)C(=O)N1CCC(C)CC1 ZINC001576181083 949988839 /nfs/dbraw/zinc/98/88/39/949988839.db2.gz SDMRVJCJIDQISZ-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)nc1)NC(=O)C(=O)N1CCC(C)CC1 ZINC001576181083 949988861 /nfs/dbraw/zinc/98/88/61/949988861.db2.gz SDMRVJCJIDQISZ-ZDUSSCGKSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)c1ccco1 ZINC001574490413 949990835 /nfs/dbraw/zinc/99/08/35/949990835.db2.gz RFGHEFASHGQRPT-GDLCADMTSA-N -1 3 399.411 0.283 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)c1ccco1 ZINC001574490413 949990862 /nfs/dbraw/zinc/99/08/62/949990862.db2.gz RFGHEFASHGQRPT-GDLCADMTSA-N -1 3 399.411 0.283 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573831337 949991446 /nfs/dbraw/zinc/99/14/46/949991446.db2.gz VKZITORDZUCDSF-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573831337 949991464 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CC(C)n1nccc1C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574975751 950045141 /nfs/dbraw/zinc/04/51/41/950045141.db2.gz ZLDFETNTTWZQKY-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)C[C@H](CN[C@H](C)c1nnnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151108 950055061 /nfs/dbraw/zinc/05/50/61/950055061.db2.gz KZOJRCHWCCNDGR-GHMZBOCLSA-N -1 3 387.452 0.214 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573835386 950055200 /nfs/dbraw/zinc/05/52/00/950055200.db2.gz WOTUXOUNGFDWAF-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573835386 950055222 /nfs/dbraw/zinc/05/52/22/950055222.db2.gz WOTUXOUNGFDWAF-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1Cc2cccnc2C1 ZINC001574975948 950056343 /nfs/dbraw/zinc/05/63/43/950056343.db2.gz KRQXXVWUUWPSQK-PWSUYJOCSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1Cc2cccnc2C1 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387.444 0.780 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573836034 950069952 /nfs/dbraw/zinc/06/99/52/950069952.db2.gz DSUQLPXWEQTINF-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573836034 950069976 /nfs/dbraw/zinc/06/99/76/950069976.db2.gz DSUQLPXWEQTINF-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574976346 950070346 /nfs/dbraw/zinc/07/03/46/950070346.db2.gz QOXHPBVXGFIKQG-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574976346 950070365 /nfs/dbraw/zinc/07/03/65/950070365.db2.gz QOXHPBVXGFIKQG-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573835831 950070412 /nfs/dbraw/zinc/07/04/12/950070412.db2.gz CSVGCQRKSCKGHF-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573835831 950070439 /nfs/dbraw/zinc/07/04/39/950070439.db2.gz CSVGCQRKSCKGHF-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576182881 950072191 /nfs/dbraw/zinc/07/21/91/950072191.db2.gz NUZAIVABCHYYMF-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576182881 950072207 /nfs/dbraw/zinc/07/22/07/950072207.db2.gz NUZAIVABCHYYMF-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575892619 950074708 /nfs/dbraw/zinc/07/47/08/950074708.db2.gz YLZDSNSUBGUHNU-UWVGGRQHSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575892619 950074730 /nfs/dbraw/zinc/07/47/30/950074730.db2.gz YLZDSNSUBGUHNU-UWVGGRQHSA-N -1 3 382.384 0.328 20 0 GCADHM 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/nfs/dbraw/zinc/08/97/78/950089778.db2.gz WUFCWDQOFQOVFJ-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575893635 950090304 /nfs/dbraw/zinc/09/03/04/950090304.db2.gz BBPYECNMBXLOKN-CABZTGNLSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575893635 950090321 /nfs/dbraw/zinc/09/03/21/950090321.db2.gz BBPYECNMBXLOKN-CABZTGNLSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nnnn1C(C)(C)C ZINC001574976655 950092130 /nfs/dbraw/zinc/09/21/30/950092130.db2.gz XTZCWXUFVXPOMQ-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nnnn1C(C)(C)C ZINC001574976655 950092155 /nfs/dbraw/zinc/09/21/55/950092155.db2.gz XTZCWXUFVXPOMQ-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CN(C)C(=O)Cc1nnc[nH]1)Nc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574733011 950092549 /nfs/dbraw/zinc/09/25/49/950092549.db2.gz PQDFBOINOUEDRC-ZCFIWIBFSA-N -1 3 382.841 0.596 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CCOCC2)CCOC1 ZINC001575581994 950095691 /nfs/dbraw/zinc/09/56/91/950095691.db2.gz BBYRURBENHRMJK-KRWDZBQOSA-N -1 3 387.444 0.766 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CCOCC2)CCOC1 ZINC001575581994 950095713 /nfs/dbraw/zinc/09/57/13/950095713.db2.gz BBYRURBENHRMJK-KRWDZBQOSA-N -1 3 387.444 0.766 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574976833 950101659 /nfs/dbraw/zinc/10/16/59/950101659.db2.gz BXCBCFKABWBPTQ-ZCFIWIBFSA-N -1 3 379.331 0.404 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001574976833 950101666 /nfs/dbraw/zinc/10/16/66/950101666.db2.gz BXCBCFKABWBPTQ-ZCFIWIBFSA-N -1 3 379.331 0.404 20 0 GCADHM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ncccc1-c1nnn[n-]1 ZINC001574733231 950102027 /nfs/dbraw/zinc/10/20/27/950102027.db2.gz WKZHTGIVOZZJHK-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ncccc1-c1nn[n-]n1 ZINC001574733231 950102038 /nfs/dbraw/zinc/10/20/38/950102038.db2.gz WKZHTGIVOZZJHK-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c(F)cncc1F ZINC001574976845 950102325 /nfs/dbraw/zinc/10/23/25/950102325.db2.gz BZDVLLKQACDORB-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c(F)cncc1F ZINC001574976845 950102332 /nfs/dbraw/zinc/10/23/32/950102332.db2.gz BZDVLLKQACDORB-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574492794 950102484 /nfs/dbraw/zinc/10/24/84/950102484.db2.gz CWMPIWVGXKFHPU-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574492794 950102494 /nfs/dbraw/zinc/10/24/94/950102494.db2.gz CWMPIWVGXKFHPU-GWCFXTLKSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573836978 950102754 /nfs/dbraw/zinc/10/27/54/950102754.db2.gz UZYUODOUBCTUAY-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573836978 950102765 /nfs/dbraw/zinc/10/27/65/950102765.db2.gz UZYUODOUBCTUAY-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574152436 950103917 /nfs/dbraw/zinc/10/39/17/950103917.db2.gz CDXLKLVEXQFZES-JSGCOSHPSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574152436 950103930 /nfs/dbraw/zinc/10/39/30/950103930.db2.gz CDXLKLVEXQFZES-JSGCOSHPSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1C ZINC001574976924 950104690 /nfs/dbraw/zinc/10/46/90/950104690.db2.gz CNMZCHTZWPVTLV-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1C ZINC001574976924 950104704 /nfs/dbraw/zinc/10/47/04/950104704.db2.gz CNMZCHTZWPVTLV-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM CC1(C(=O)NCC2(O)CN(Cc3cccc(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575582124 950105255 /nfs/dbraw/zinc/10/52/55/950105255.db2.gz FVJQPCYETZASMF-UHFFFAOYSA-N -1 3 386.456 0.346 20 0 GCADHM CC1(C(=O)NCC2(O)CN(Cc3cccc(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575582124 950105269 /nfs/dbraw/zinc/10/52/69/950105269.db2.gz FVJQPCYETZASMF-UHFFFAOYSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c2ncccc12 ZINC001574977060 950108465 /nfs/dbraw/zinc/10/84/65/950108465.db2.gz GJPUZMHXAMDREM-SECBINFHSA-N -1 3 379.384 0.619 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c2ncccc12 ZINC001574977060 950108481 /nfs/dbraw/zinc/10/84/81/950108481.db2.gz GJPUZMHXAMDREM-SECBINFHSA-N -1 3 379.384 0.619 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574152550 950108745 /nfs/dbraw/zinc/10/87/45/950108745.db2.gz GEGBKTKHPKUOSB-JSGCOSHPSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574152550 950108760 /nfs/dbraw/zinc/10/87/60/950108760.db2.gz GEGBKTKHPKUOSB-JSGCOSHPSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1ccn[nH]1 ZINC001576183974 950109613 /nfs/dbraw/zinc/10/96/13/950109613.db2.gz UPHDSYSIXDREJZ-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C2CC2)nn1C ZINC001574977045 950110245 /nfs/dbraw/zinc/11/02/45/950110245.db2.gz FWCLKWLIFRBQPH-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C2CC2)nn1C ZINC001574977045 950110253 /nfs/dbraw/zinc/11/02/53/950110253.db2.gz FWCLKWLIFRBQPH-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573838420 950111625 /nfs/dbraw/zinc/11/16/25/950111625.db2.gz CTFJAIPPFJZSNX-LLVKDONJSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573838420 950111641 /nfs/dbraw/zinc/11/16/41/950111641.db2.gz CTFJAIPPFJZSNX-LLVKDONJSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1ccnc1 ZINC001574493037 950112181 /nfs/dbraw/zinc/11/21/81/950112181.db2.gz QUSVWLPHLGQQEN-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1ccnc1 ZINC001574493037 950112194 /nfs/dbraw/zinc/11/21/94/950112194.db2.gz QUSVWLPHLGQQEN-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574152612 950112359 /nfs/dbraw/zinc/11/23/59/950112359.db2.gz HKUVBPRFXSXEPD-JSGCOSHPSA-N -1 3 386.460 0.683 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574152612 950112366 /nfs/dbraw/zinc/11/23/66/950112366.db2.gz HKUVBPRFXSXEPD-JSGCOSHPSA-N -1 3 386.460 0.683 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574493185 950117207 /nfs/dbraw/zinc/11/72/07/950117207.db2.gz FHQNDTVGCMOOEQ-JQWIXIFHSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574493185 950117217 /nfs/dbraw/zinc/11/72/17/950117217.db2.gz FHQNDTVGCMOOEQ-JQWIXIFHSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574977303 950118996 /nfs/dbraw/zinc/11/89/96/950118996.db2.gz JTTYPTUUYYPGOL-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncn(C(C)(C)C)n1 ZINC001574977303 950119007 /nfs/dbraw/zinc/11/90/07/950119007.db2.gz JTTYPTUUYYPGOL-SECBINFHSA-N -1 3 386.420 0.090 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccncn2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575896174 950121883 /nfs/dbraw/zinc/12/18/83/950121883.db2.gz LEXOWFWSMZOKKU-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccncn2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575896174 950121894 /nfs/dbraw/zinc/12/18/94/950121894.db2.gz LEXOWFWSMZOKKU-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)CC1 ZINC001575582609 950121926 /nfs/dbraw/zinc/12/19/26/950121926.db2.gz LJWDEZLQBZRBRJ-INIZCTEOSA-N -1 3 377.836 0.773 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)CC1 ZINC001575582609 950121945 /nfs/dbraw/zinc/12/19/45/950121945.db2.gz LJWDEZLQBZRBRJ-INIZCTEOSA-N -1 3 377.836 0.773 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncc2n1CCCC2 ZINC001574977599 950122500 /nfs/dbraw/zinc/12/25/00/950122500.db2.gz MCYPZDIBPHDYOI-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncc2n1CCCC2 ZINC001574977599 950122516 /nfs/dbraw/zinc/12/25/16/950122516.db2.gz MCYPZDIBPHDYOI-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574733927 950124118 /nfs/dbraw/zinc/12/41/18/950124118.db2.gz HCRFHMWCTOMGNJ-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574733927 950124129 /nfs/dbraw/zinc/12/41/29/950124129.db2.gz HCRFHMWCTOMGNJ-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574493389 950126017 /nfs/dbraw/zinc/12/60/17/950126017.db2.gz GHBGYFOSIPOQFW-SMDDNHRTSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574493389 950126020 /nfs/dbraw/zinc/12/60/20/950126020.db2.gz GHBGYFOSIPOQFW-SMDDNHRTSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575896308 950128227 /nfs/dbraw/zinc/12/82/27/950128227.db2.gz LZBGHOZWCMQBJW-PWSUYJOCSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575896308 950128237 /nfs/dbraw/zinc/12/82/37/950128237.db2.gz LZBGHOZWCMQBJW-PWSUYJOCSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001574493395 950128938 /nfs/dbraw/zinc/12/89/38/950128938.db2.gz GHJWNKBDAYXUCU-CBAPKCEASA-N -1 3 391.329 0.878 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001574493395 950128945 /nfs/dbraw/zinc/12/89/45/950128945.db2.gz GHJWNKBDAYXUCU-CBAPKCEASA-N -1 3 391.329 0.878 20 0 GCADHM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576184416 950130392 /nfs/dbraw/zinc/13/03/92/950130392.db2.gz VOAHHLKTEOIOSV-NWDGAFQWSA-N -1 3 387.448 0.217 20 0 GCADHM C[C@H]1CCN(C(=O)CCNC(N)=O)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576184416 950130402 /nfs/dbraw/zinc/13/04/02/950130402.db2.gz VOAHHLKTEOIOSV-NWDGAFQWSA-N -1 3 387.448 0.217 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896710 950131725 /nfs/dbraw/zinc/13/17/25/950131725.db2.gz MTAFMWIZZCAYER-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)cn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896710 950131736 /nfs/dbraw/zinc/13/17/36/950131736.db2.gz MTAFMWIZZCAYER-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@]1(C(=O)NC[C@]2(O)CCN(c3ncccc3-c3nnn[n-]3)C2)CCCOC1 ZINC001575582922 950133294 /nfs/dbraw/zinc/13/32/94/950133294.db2.gz MSJVOZBZPCMJKH-ZWKOTPCHSA-N -1 3 387.444 0.136 20 0 GCADHM C[C@]1(C(=O)NC[C@]2(O)CCN(c3ncccc3-c3nn[n-]n3)C2)CCCOC1 ZINC001575582922 950133307 /nfs/dbraw/zinc/13/33/07/950133307.db2.gz MSJVOZBZPCMJKH-ZWKOTPCHSA-N -1 3 387.444 0.136 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncnc2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896721 950133349 /nfs/dbraw/zinc/13/33/49/950133349.db2.gz MVHLEWUUZZDPGG-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896721 950133355 /nfs/dbraw/zinc/13/33/55/950133355.db2.gz MVHLEWUUZZDPGG-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM CC1(C(=O)NCC2(O)CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)CCOCC1 ZINC001575583089 950138208 /nfs/dbraw/zinc/13/82/08/950138208.db2.gz ODBRWKUQYNYDQG-UHFFFAOYSA-N -1 3 386.456 0.346 20 0 GCADHM CC1(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CCOCC1 ZINC001575583089 950138218 /nfs/dbraw/zinc/13/82/18/950138218.db2.gz ODBRWKUQYNYDQG-UHFFFAOYSA-N -1 3 386.456 0.346 20 0 GCADHM CC1(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575583036 950138300 /nfs/dbraw/zinc/13/83/00/950138300.db2.gz JSWYSADXOVMWAP-UHFFFAOYSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575583036 950138318 /nfs/dbraw/zinc/13/83/18/950138318.db2.gz JSWYSADXOVMWAP-UHFFFAOYSA-N -1 3 387.444 0.636 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1 ZINC001576184624 950138809 /nfs/dbraw/zinc/13/88/09/950138809.db2.gz WFEGAXVICIIUIQ-ZDUSSCGKSA-N -1 3 386.460 0.257 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1 ZINC001576184624 950138826 /nfs/dbraw/zinc/13/88/26/950138826.db2.gz WFEGAXVICIIUIQ-ZDUSSCGKSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1csc(Cl)n1 ZINC001574978370 950139927 /nfs/dbraw/zinc/13/99/27/950139927.db2.gz SFDCNZDAIVZXOE-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1csc(Cl)n1 ZINC001574978370 950139957 /nfs/dbraw/zinc/13/99/57/950139957.db2.gz SFDCNZDAIVZXOE-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574153477 950142395 /nfs/dbraw/zinc/14/23/95/950142395.db2.gz SWCPFFXPCLZZTL-DGCLKSJQSA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574153477 950142408 /nfs/dbraw/zinc/14/24/08/950142408.db2.gz SWCPFFXPCLZZTL-DGCLKSJQSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574734772 950143091 /nfs/dbraw/zinc/14/30/91/950143091.db2.gz QOEGEGUDJGMJSU-ZWNOBZJWSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574734772 950143107 /nfs/dbraw/zinc/14/31/07/950143107.db2.gz QOEGEGUDJGMJSU-ZWNOBZJWSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccnn1C(F)F ZINC001574978645 950143276 /nfs/dbraw/zinc/14/32/76/950143276.db2.gz UGAWUKRAIAXQBN-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccnn1C(F)F ZINC001574978645 950143294 /nfs/dbraw/zinc/14/32/94/950143294.db2.gz UGAWUKRAIAXQBN-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001574493863 950143299 /nfs/dbraw/zinc/14/32/99/950143299.db2.gz IHXJUASTMRVDID-AAEUAGOBSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001574493863 950143316 /nfs/dbraw/zinc/14/33/16/950143316.db2.gz IHXJUASTMRVDID-AAEUAGOBSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575897648 950144827 /nfs/dbraw/zinc/14/48/27/950144827.db2.gz PMCRBDJEFLWCGT-JQWIXIFHSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575583616 950150714 /nfs/dbraw/zinc/15/07/14/950150714.db2.gz MQWVUEKGPSXKQF-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575583616 950150724 /nfs/dbraw/zinc/15/07/24/950150724.db2.gz MQWVUEKGPSXKQF-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573842648 950152751 /nfs/dbraw/zinc/15/27/51/950152751.db2.gz JQEDKEQWCVHSEL-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573842648 950152762 /nfs/dbraw/zinc/15/27/62/950152762.db2.gz JQEDKEQWCVHSEL-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCCN2c2ncccc2-c2nnn[n-]2)CCNC1=O ZINC001575583787 950153386 /nfs/dbraw/zinc/15/33/86/950153386.db2.gz NPDLFKAUEGNTHK-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCCN2c2ncccc2-c2nn[n-]n2)CCNC1=O ZINC001575583787 950153397 /nfs/dbraw/zinc/15/33/97/950153397.db2.gz NPDLFKAUEGNTHK-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573842647 950153813 /nfs/dbraw/zinc/15/38/13/950153813.db2.gz JQEDKEQWCVHSEL-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573842647 950153828 /nfs/dbraw/zinc/15/38/28/950153828.db2.gz JQEDKEQWCVHSEL-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2ncccc2-c2nnn[n-]2)CCNC1=O ZINC001575583785 950154007 /nfs/dbraw/zinc/15/40/07/950154007.db2.gz NPDLFKAUEGNTHK-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCCN2c2ncccc2-c2nn[n-]n2)CCNC1=O ZINC001575583785 950154015 /nfs/dbraw/zinc/15/40/15/950154015.db2.gz NPDLFKAUEGNTHK-SGTLLEGYSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573842637 950154186 /nfs/dbraw/zinc/15/41/86/950154186.db2.gz JKUHSLAYQIQLPI-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573842637 950154198 /nfs/dbraw/zinc/15/41/98/950154198.db2.gz JKUHSLAYQIQLPI-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574494196 950154699 /nfs/dbraw/zinc/15/46/99/950154699.db2.gz XVDMAVDZVTZPHI-CMPLNLGQSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C=CCC1 ZINC001575583784 950154783 /nfs/dbraw/zinc/15/47/83/950154783.db2.gz UMPWPMDIATZDRP-ROUUACIJSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C=CCC1 ZINC001575583784 950154795 /nfs/dbraw/zinc/15/47/95/950154795.db2.gz UMPWPMDIATZDRP-ROUUACIJSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)CCCOC1 ZINC001575583793 950154816 /nfs/dbraw/zinc/15/48/16/950154816.db2.gz UPTCOEBKQIOGJM-BKEDOTJMSA-N -1 3 383.456 0.877 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)CCCOC1 ZINC001575583793 950154824 /nfs/dbraw/zinc/15/48/24/950154824.db2.gz UPTCOEBKQIOGJM-BKEDOTJMSA-N -1 3 383.456 0.877 20 0 GCADHM CC1(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCCC1 ZINC001575583844 950154922 /nfs/dbraw/zinc/15/49/22/950154922.db2.gz VCALYZRZUNGNEG-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCCC1 ZINC001575583844 950154933 /nfs/dbraw/zinc/15/49/33/950154933.db2.gz VCALYZRZUNGNEG-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001574982293 950158646 /nfs/dbraw/zinc/15/86/46/950158646.db2.gz APPXYPSRPLCQLV-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001574982293 950158661 /nfs/dbraw/zinc/15/86/61/950158661.db2.gz APPXYPSRPLCQLV-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)CCCOC1 ZINC001575584021 950159208 /nfs/dbraw/zinc/15/92/08/950159208.db2.gz OIITYMNGRHCHAQ-ZTENYAIWSA-N -1 3 383.456 0.877 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)CCCOC1 ZINC001575584021 950159216 /nfs/dbraw/zinc/15/92/16/950159216.db2.gz OIITYMNGRHCHAQ-ZTENYAIWSA-N -1 3 383.456 0.877 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001574154027 950161497 /nfs/dbraw/zinc/16/14/97/950161497.db2.gz ZRDRCKCLUXCBKC-TZMCWYRMSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001574154027 950161511 /nfs/dbraw/zinc/16/15/11/950161511.db2.gz ZRDRCKCLUXCBKC-TZMCWYRMSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575898822 950161928 /nfs/dbraw/zinc/16/19/28/950161928.db2.gz UZMFBNQAAOOIBO-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575898822 950161937 /nfs/dbraw/zinc/16/19/37/950161937.db2.gz UZMFBNQAAOOIBO-ZANVPECISA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1CNC(=O)c1ccon1 ZINC001576190448 950162613 /nfs/dbraw/zinc/16/26/13/950162613.db2.gz BPTXKKDXIFBPPD-MNOVXSKESA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNC(=O)c1ccon1 ZINC001576190448 950162628 /nfs/dbraw/zinc/16/26/28/950162628.db2.gz BPTXKKDXIFBPPD-MNOVXSKESA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001574982470 950166267 /nfs/dbraw/zinc/16/62/67/950166267.db2.gz CYIBZIQQYNFYBM-NXKACYDGSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001574982470 950166277 /nfs/dbraw/zinc/16/62/77/950166277.db2.gz CYIBZIQQYNFYBM-NXKACYDGSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575899538 950173619 /nfs/dbraw/zinc/17/36/19/950173619.db2.gz XOGFVDIPUBYVBN-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899538 950173628 /nfs/dbraw/zinc/17/36/28/950173628.db2.gz XOGFVDIPUBYVBN-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnn2C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575899548 950173803 /nfs/dbraw/zinc/17/38/03/950173803.db2.gz XRPPOZRFJSTVGN-GXFFZTMASA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnn2C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575899548 950173816 /nfs/dbraw/zinc/17/38/16/950173816.db2.gz XRPPOZRFJSTVGN-GXFFZTMASA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575899717 950174938 /nfs/dbraw/zinc/17/49/38/950174938.db2.gz YGSWEXLELFGMIE-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899717 950174954 /nfs/dbraw/zinc/17/49/54/950174954.db2.gz YGSWEXLELFGMIE-RNCFNFMXSA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCc1c[nH]cn1 ZINC001574154696 950175343 /nfs/dbraw/zinc/17/53/43/950175343.db2.gz GCPQKUFNWPVSKV-CYBMUJFWSA-N -1 3 384.448 0.955 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575899803 950176874 /nfs/dbraw/zinc/17/68/74/950176874.db2.gz ZPPWHZHQQWNCNP-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899803 950176886 /nfs/dbraw/zinc/17/68/86/950176886.db2.gz ZPPWHZHQQWNCNP-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1coc(C2CC2)n1 ZINC001574738941 950178600 /nfs/dbraw/zinc/17/86/00/950178600.db2.gz JGWNMXLLTPOADL-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1coc(C2CC2)n1 ZINC001574738941 950178613 /nfs/dbraw/zinc/17/86/13/950178613.db2.gz JGWNMXLLTPOADL-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575584962 950181590 /nfs/dbraw/zinc/18/15/90/950181590.db2.gz ULOYVLJOJKDHPT-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575584962 950181601 /nfs/dbraw/zinc/18/16/01/950181601.db2.gz ULOYVLJOJKDHPT-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM 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C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001574983340 950212101 /nfs/dbraw/zinc/21/21/01/950212101.db2.gz NHFGQFNRSGDKRK-YYZJVYOOSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001574983340 950212116 /nfs/dbraw/zinc/21/21/16/950212116.db2.gz NHFGQFNRSGDKRK-YYZJVYOOSA-N -1 3 383.456 0.969 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)C1CCOCC1 ZINC001574739973 950213969 /nfs/dbraw/zinc/21/39/69/950213969.db2.gz AMCVQZWBKZLEJQ-VXGBXAGGSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)C1CCOCC1 ZINC001574739973 950213986 /nfs/dbraw/zinc/21/39/86/950213986.db2.gz AMCVQZWBKZLEJQ-VXGBXAGGSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001574739922 950215330 /nfs/dbraw/zinc/21/53/30/950215330.db2.gz ZHHMPOCYBCRSMG-JTQLQIEISA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001574739922 950215349 /nfs/dbraw/zinc/21/53/49/950215349.db2.gz ZHHMPOCYBCRSMG-JTQLQIEISA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573845166 950217869 /nfs/dbraw/zinc/21/78/69/950217869.db2.gz TZIMUKYACBJRKH-LBPRGKRZSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573845166 950217887 /nfs/dbraw/zinc/21/78/87/950217887.db2.gz TZIMUKYACBJRKH-LBPRGKRZSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575586804 950226394 /nfs/dbraw/zinc/22/63/94/950226394.db2.gz KBPFAFZIUGFRJI-SCLBCKFNSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)CCC(=O)NC1 ZINC001575586804 950226411 /nfs/dbraw/zinc/22/64/11/950226411.db2.gz KBPFAFZIUGFRJI-SCLBCKFNSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901236 950226951 /nfs/dbraw/zinc/22/69/51/950226951.db2.gz MPFCPEBJFKDVCZ-WCBMZHEXSA-N -1 3 387.379 0.480 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H](C)NC(N)=O ZINC001574156156 950227165 /nfs/dbraw/zinc/22/71/65/950227165.db2.gz XWODMVADCNHBJS-CMPLNLGQSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H](C)NC(N)=O ZINC001574156156 950227181 /nfs/dbraw/zinc/22/71/81/950227181.db2.gz XWODMVADCNHBJS-CMPLNLGQSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574156160 950227218 /nfs/dbraw/zinc/22/72/18/950227218.db2.gz XWTOTJDKINJWLX-MFKMUULPSA-N -1 3 390.423 0.630 20 0 GCADHM CC(C)C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574156160 950227237 /nfs/dbraw/zinc/22/72/37/950227237.db2.gz XWTOTJDKINJWLX-MFKMUULPSA-N -1 3 390.423 0.630 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574740731 950227656 /nfs/dbraw/zinc/22/76/56/950227656.db2.gz FQFMMLXCWOZNFX-AXFHLTTASA-N -1 3 390.423 0.561 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574740731 950227678 /nfs/dbraw/zinc/22/76/78/950227678.db2.gz FQFMMLXCWOZNFX-AXFHLTTASA-N -1 3 390.423 0.561 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)c1ccn[nH]1 ZINC001576192187 950229147 /nfs/dbraw/zinc/22/91/47/950229147.db2.gz MJRKYZQUQMQUKN-GHMZBOCLSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901618 950233584 /nfs/dbraw/zinc/23/35/84/950233584.db2.gz PBAQFJSDRDFRRN-APPZFPTMSA-N -1 3 388.413 0.390 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575587267 950233796 /nfs/dbraw/zinc/23/37/96/950233796.db2.gz NAIFWSWDOJCKEM-SGTLLEGYSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575587267 950233809 /nfs/dbraw/zinc/23/38/09/950233809.db2.gz NAIFWSWDOJCKEM-SGTLLEGYSA-N -1 3 384.444 0.121 20 0 GCADHM CC(C)(C)CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573845576 950235470 /nfs/dbraw/zinc/23/54/70/950235470.db2.gz HOHSVNWOYPQZPS-JYAVWHMHSA-N -1 3 386.460 0.017 20 0 GCADHM CC(C)(C)CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573845576 950235491 /nfs/dbraw/zinc/23/54/91/950235491.db2.gz HOHSVNWOYPQZPS-JYAVWHMHSA-N -1 3 386.460 0.017 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573845585 950236580 /nfs/dbraw/zinc/23/65/80/950236580.db2.gz HUNSXXHDBZNNDG-SFHVURJKSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573845585 950236604 /nfs/dbraw/zinc/23/66/04/950236604.db2.gz HUNSXXHDBZNNDG-SFHVURJKSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2csc(=O)[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901620 950238442 /nfs/dbraw/zinc/23/84/42/950238442.db2.gz PBAQFJSDRDFRRN-IONNQARKSA-N -1 3 388.413 0.390 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574741214 950240858 /nfs/dbraw/zinc/24/08/58/950240858.db2.gz IHVBTWMRVZYIHM-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574741214 950240873 /nfs/dbraw/zinc/24/08/73/950240873.db2.gz IHVBTWMRVZYIHM-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H](C)n1cccn1 ZINC001574741215 950241001 /nfs/dbraw/zinc/24/10/01/950241001.db2.gz IHVBTWMRVZYIHM-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H](C)n1cccn1 ZINC001574741215 950241018 /nfs/dbraw/zinc/24/10/18/950241018.db2.gz IHVBTWMRVZYIHM-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCOC1 ZINC001574741441 950243230 /nfs/dbraw/zinc/24/32/30/950243230.db2.gz BILNVTMQVRQLSK-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901876 950243314 /nfs/dbraw/zinc/24/33/14/950243314.db2.gz RDYSLPMURMVVQI-SFYZADRCSA-N -1 3 388.413 0.390 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCOC1 ZINC001574741441 950243247 /nfs/dbraw/zinc/24/32/47/950243247.db2.gz BILNVTMQVRQLSK-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cnc(Cl)n1C ZINC001574983804 950243699 /nfs/dbraw/zinc/24/36/99/950243699.db2.gz SQOUOMSPCSRDLV-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cnc(Cl)n1C ZINC001574983804 950243717 /nfs/dbraw/zinc/24/37/17/950243717.db2.gz SQOUOMSPCSRDLV-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@H]1CCOC1 ZINC001574741442 950244954 /nfs/dbraw/zinc/24/49/54/950244954.db2.gz BILNVTMQVRQLSK-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@H]1CCOC1 ZINC001574741442 950244972 /nfs/dbraw/zinc/24/49/72/950244972.db2.gz BILNVTMQVRQLSK-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574741414 950245697 /nfs/dbraw/zinc/24/56/97/950245697.db2.gz BBZKKVQJCZGNTJ-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CC12CCOCC2 ZINC001574741414 950245719 /nfs/dbraw/zinc/24/57/19/950245719.db2.gz BBZKKVQJCZGNTJ-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574983931 950246474 /nfs/dbraw/zinc/24/64/74/950246474.db2.gz SLGNEHMWKCTGSG-JTQLQIEISA-N -1 3 386.391 0.339 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574983931 950246493 /nfs/dbraw/zinc/24/64/93/950246493.db2.gz SLGNEHMWKCTGSG-JTQLQIEISA-N -1 3 386.391 0.339 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)c1cnco1 ZINC001576192476 950246913 /nfs/dbraw/zinc/24/69/13/950246913.db2.gz OJDQDQMTQAYTQS-GHMZBOCLSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)c1cnco1 ZINC001576192476 950246933 /nfs/dbraw/zinc/24/69/33/950246933.db2.gz OJDQDQMTQAYTQS-GHMZBOCLSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cnn(C)c1Cl ZINC001574983905 950247475 /nfs/dbraw/zinc/24/74/75/950247475.db2.gz UVDDTSFXHGRARR-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cnn(C)c1Cl ZINC001574983905 950247488 /nfs/dbraw/zinc/24/74/88/950247488.db2.gz UVDDTSFXHGRARR-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CC(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574497926 950249249 /nfs/dbraw/zinc/24/92/49/950249249.db2.gz GLPUBOLAWSMWHL-PNESKVBLSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574497926 950249267 /nfs/dbraw/zinc/24/92/67/950249267.db2.gz GLPUBOLAWSMWHL-PNESKVBLSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCC1)NC(N)=O ZINC001574498033 950255402 /nfs/dbraw/zinc/25/54/02/950255402.db2.gz IQQLGLYUTRWWME-SECBINFHSA-N -1 3 391.411 0.299 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCC1)NC(N)=O ZINC001574498033 950255419 /nfs/dbraw/zinc/25/54/19/950255419.db2.gz IQQLGLYUTRWWME-SECBINFHSA-N -1 3 391.411 0.299 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575902416 950255942 /nfs/dbraw/zinc/25/59/42/950255942.db2.gz UPBOAZNSIAFUIY-ZYHUDNBSSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575902416 950255955 /nfs/dbraw/zinc/25/59/55/950255955.db2.gz UPBOAZNSIAFUIY-ZYHUDNBSSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574497986 950256760 /nfs/dbraw/zinc/25/67/60/950256760.db2.gz HSUZXUHFJRMGMB-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574497986 950256781 /nfs/dbraw/zinc/25/67/81/950256781.db2.gz HSUZXUHFJRMGMB-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576192614 950256867 /nfs/dbraw/zinc/25/68/67/950256867.db2.gz OAWWGBXHPJZAJS-GXFFZTMASA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576192614 950256887 /nfs/dbraw/zinc/25/68/87/950256887.db2.gz OAWWGBXHPJZAJS-GXFFZTMASA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c(F)cncc1F ZINC001574741995 950259906 /nfs/dbraw/zinc/25/99/06/950259906.db2.gz FNPZIWKQGLPPJH-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c(F)cncc1F ZINC001574741995 950259925 /nfs/dbraw/zinc/25/99/25/950259925.db2.gz FNPZIWKQGLPPJH-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574984155 950261008 /nfs/dbraw/zinc/26/10/08/950261008.db2.gz WCHRZFLGYHVYCC-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574984155 950261021 /nfs/dbraw/zinc/26/10/21/950261021.db2.gz WCHRZFLGYHVYCC-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)CC(C)(C)O ZINC001576192699 950263588 /nfs/dbraw/zinc/26/35/88/950263588.db2.gz QBXCRVXGUOSVMS-VXGBXAGGSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)CC(C)(C)O ZINC001576192699 950263618 /nfs/dbraw/zinc/26/36/18/950263618.db2.gz QBXCRVXGUOSVMS-VXGBXAGGSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001574498151 950265767 /nfs/dbraw/zinc/26/57/67/950265767.db2.gz KNKPVCXGLVNVLM-APPZFPTMSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001574498151 950265788 /nfs/dbraw/zinc/26/57/88/950265788.db2.gz KNKPVCXGLVNVLM-APPZFPTMSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNc1cc(Cl)c(=O)[nH]n1 ZINC001574984334 950266179 /nfs/dbraw/zinc/26/61/79/950266179.db2.gz XHPRYDDBBHPQNN-ZETCQYMHSA-N -1 3 377.796 0.822 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNc1cc(Cl)c(=O)[nH]n1 ZINC001574984334 950266191 /nfs/dbraw/zinc/26/61/91/950266191.db2.gz XHPRYDDBBHPQNN-ZETCQYMHSA-N -1 3 377.796 0.822 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cnccn1)C1CC1 ZINC001574984439 950272372 /nfs/dbraw/zinc/27/23/72/950272372.db2.gz ZRBIBEGTTLEAPX-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cnccn1)C1CC1 ZINC001574984439 950272397 /nfs/dbraw/zinc/27/23/97/950272397.db2.gz ZRBIBEGTTLEAPX-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1ccnc1 ZINC001574498484 950273796 /nfs/dbraw/zinc/27/37/96/950273796.db2.gz ODTHYBMOXFCEEI-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1ccnc1 ZINC001574498484 950273810 /nfs/dbraw/zinc/27/38/10/950273810.db2.gz ODTHYBMOXFCEEI-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnsn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575903246 950277221 /nfs/dbraw/zinc/27/72/21/950277221.db2.gz ZCNNNMCIJLOZGT-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnsn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575903246 950277239 /nfs/dbraw/zinc/27/72/39/950277239.db2.gz ZCNNNMCIJLOZGT-WCBMZHEXSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2cncc(-c3nnn[n-]3)c2)nn1 ZINC001573850578 950277605 /nfs/dbraw/zinc/27/76/05/950277605.db2.gz LFGWJYALCVIUPM-UHFFFAOYSA-N -1 3 385.388 0.125 20 0 GCADHM CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2cncc(-c3nn[n-]n3)c2)nn1 ZINC001573850578 950277625 /nfs/dbraw/zinc/27/76/25/950277625.db2.gz LFGWJYALCVIUPM-UHFFFAOYSA-N -1 3 385.388 0.125 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001573850642 950277853 /nfs/dbraw/zinc/27/78/53/950277853.db2.gz MDOCXZIGWLDZSN-UHFFFAOYSA-N -1 3 391.457 0.796 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cnc(Cl)n1C ZINC001574987222 950279880 /nfs/dbraw/zinc/27/98/80/950279880.db2.gz AQTSCYJVRXXATQ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cnc(Cl)n1C ZINC001574987222 950279902 /nfs/dbraw/zinc/27/99/02/950279902.db2.gz AQTSCYJVRXXATQ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576193104 950282179 /nfs/dbraw/zinc/28/21/79/950282179.db2.gz RZBSXUAGJSLTCR-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576193104 950282199 /nfs/dbraw/zinc/28/21/99/950282199.db2.gz RZBSXUAGJSLTCR-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NC1CCCCC1 ZINC001574987217 950282148 /nfs/dbraw/zinc/28/21/48/950282148.db2.gz APYSMISLIYUEKN-GFCCVEGCSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NC1CCCCC1 ZINC001574987217 950282166 /nfs/dbraw/zinc/28/21/66/950282166.db2.gz APYSMISLIYUEKN-GFCCVEGCSA-N -1 3 388.476 0.694 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001573850909 950282743 /nfs/dbraw/zinc/28/27/43/950282743.db2.gz OOPJNXLIBVABLU-UHFFFAOYSA-N -1 3 379.446 0.242 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001573850909 950282759 /nfs/dbraw/zinc/28/27/59/950282759.db2.gz OOPJNXLIBVABLU-UHFFFAOYSA-N -1 3 379.446 0.242 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575903428 950283109 /nfs/dbraw/zinc/28/31/09/950283109.db2.gz ZYGNSUMIZCEWPD-ONGXEEELSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575903428 950283130 /nfs/dbraw/zinc/28/31/30/950283130.db2.gz ZYGNSUMIZCEWPD-ONGXEEELSA-N -1 3 384.375 0.762 20 0 GCADHM CC1(C(=O)NCCN2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CCC1 ZINC001575592252 950283884 /nfs/dbraw/zinc/28/38/84/950283884.db2.gz FJLWGJWFJXIFKX-UHFFFAOYSA-N -1 3 385.476 0.839 20 0 GCADHM CC1(C(=O)NCCN2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001575592252 950283901 /nfs/dbraw/zinc/28/39/01/950283901.db2.gz FJLWGJWFJXIFKX-UHFFFAOYSA-N -1 3 385.476 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574987262 950285227 /nfs/dbraw/zinc/28/52/27/950285227.db2.gz BKZBNBQOPZEYRI-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574987262 950285250 /nfs/dbraw/zinc/28/52/50/950285250.db2.gz BKZBNBQOPZEYRI-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1ccccn1 ZINC001574742341 950285634 /nfs/dbraw/zinc/28/56/34/950285634.db2.gz JXVFXWIQGSWQGI-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1ccccn1 ZINC001574742341 950285648 /nfs/dbraw/zinc/28/56/48/950285648.db2.gz JXVFXWIQGSWQGI-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)c1cnn(C)c1 ZINC001574498918 950289158 /nfs/dbraw/zinc/28/91/58/950289158.db2.gz RMPBMPCDRKEYRH-FZMZJTMJSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)c1cnn(C)c1 ZINC001574498918 950289176 /nfs/dbraw/zinc/28/91/76/950289176.db2.gz RMPBMPCDRKEYRH-FZMZJTMJSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2COCCN2c2ncc(-c3nnn[n-]3)cc2F)CCOC1 ZINC001575592595 950291330 /nfs/dbraw/zinc/29/13/30/950291330.db2.gz CEEOUTUNVMFCNK-PXAZEXFGSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2COCCN2c2ncc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001575592595 950291365 /nfs/dbraw/zinc/29/13/65/950291365.db2.gz CEEOUTUNVMFCNK-PXAZEXFGSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)CCOC1 ZINC001575592827 950295310 /nfs/dbraw/zinc/29/53/10/950295310.db2.gz CKPKFGBXDNJWGO-PXAZEXFGSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)CCOC1 ZINC001575592827 950295325 /nfs/dbraw/zinc/29/53/25/950295325.db2.gz CKPKFGBXDNJWGO-PXAZEXFGSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001574742614 950299046 /nfs/dbraw/zinc/29/90/46/950299046.db2.gz PYZAEQPBWXMXEK-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001574742614 950299064 /nfs/dbraw/zinc/29/90/64/950299064.db2.gz PYZAEQPBWXMXEK-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cncnc1 ZINC001574742646 950300191 /nfs/dbraw/zinc/30/01/91/950300191.db2.gz QHCFPVMQQREDPY-WDEREUQCSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cncnc1 ZINC001574742646 950300212 /nfs/dbraw/zinc/30/02/12/950300212.db2.gz QHCFPVMQQREDPY-WDEREUQCSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2cccc(F)c2-c2nnn[n-]2)CCOC1 ZINC001575592983 950301424 /nfs/dbraw/zinc/30/14/24/950301424.db2.gz DLBIWHJSQRYBKH-KZULUSFZSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2cccc(F)c2-c2nn[n-]n2)CCOC1 ZINC001575592983 950301444 /nfs/dbraw/zinc/30/14/44/950301444.db2.gz DLBIWHJSQRYBKH-KZULUSFZSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2COCCN2c2cccc(F)c2-c2nnn[n-]2)CCOC1 ZINC001575592987 950303083 /nfs/dbraw/zinc/30/30/83/950303083.db2.gz DLBIWHJSQRYBKH-XIKOKIGWSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2COCCN2c2cccc(F)c2-c2nn[n-]n2)CCOC1 ZINC001575592987 950303103 /nfs/dbraw/zinc/30/31/03/950303103.db2.gz DLBIWHJSQRYBKH-XIKOKIGWSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2COCCN2c2cccc(F)c2-c2nnn[n-]2)CCOC1 ZINC001575592974 950303827 /nfs/dbraw/zinc/30/38/27/950303827.db2.gz DLBIWHJSQRYBKH-KPZWWZAWSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2COCCN2c2cccc(F)c2-c2nn[n-]n2)CCOC1 ZINC001575592974 950303850 /nfs/dbraw/zinc/30/38/50/950303850.db2.gz DLBIWHJSQRYBKH-KPZWWZAWSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]2C[C@H]2C1 ZINC001575593186 950306067 /nfs/dbraw/zinc/30/60/67/950306067.db2.gz MHPGQFSXNKKSKG-FVGIMDHTSA-N -1 3 387.444 0.182 20 0 GCADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]2C[C@H]2C1 ZINC001575593186 950306091 /nfs/dbraw/zinc/30/60/91/950306091.db2.gz MHPGQFSXNKKSKG-FVGIMDHTSA-N -1 3 387.444 0.182 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cnn(C)c1 ZINC001574987863 950308644 /nfs/dbraw/zinc/30/86/44/950308644.db2.gz JBZTUTPGBNZBRU-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cnn(C)c1 ZINC001574987863 950308662 /nfs/dbraw/zinc/30/86/62/950308662.db2.gz JBZTUTPGBNZBRU-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576193674 950310487 /nfs/dbraw/zinc/31/04/87/950310487.db2.gz VFNGJWQVOJDDHH-UWVGGRQHSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576193674 950310503 /nfs/dbraw/zinc/31/05/03/950310503.db2.gz VFNGJWQVOJDDHH-UWVGGRQHSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576193676 950311631 /nfs/dbraw/zinc/31/16/31/950311631.db2.gz VFNGJWQVOJDDHH-VHSXEESVSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576193676 950311652 /nfs/dbraw/zinc/31/16/52/950311652.db2.gz VFNGJWQVOJDDHH-VHSXEESVSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574743088 950313192 /nfs/dbraw/zinc/31/31/92/950313192.db2.gz RBVHTNCOUKBVML-QGHHPUGFSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574743088 950313213 /nfs/dbraw/zinc/31/32/13/950313213.db2.gz RBVHTNCOUKBVML-QGHHPUGFSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccon2)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576193723 950314129 /nfs/dbraw/zinc/31/41/29/950314129.db2.gz VQFRRCMAUMMCQX-QWRGUYRKSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccon2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576193723 950314152 /nfs/dbraw/zinc/31/41/52/950314152.db2.gz VQFRRCMAUMMCQX-QWRGUYRKSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccon2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576193725 950314467 /nfs/dbraw/zinc/31/44/67/950314467.db2.gz VQFRRCMAUMMCQX-WDEREUQCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccon2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576193725 950314490 /nfs/dbraw/zinc/31/44/90/950314490.db2.gz VQFRRCMAUMMCQX-WDEREUQCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574743086 950315359 /nfs/dbraw/zinc/31/53/59/950315359.db2.gz RBVHTNCOUKBVML-BTDLBPIBSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574743086 950315378 /nfs/dbraw/zinc/31/53/78/950315378.db2.gz RBVHTNCOUKBVML-BTDLBPIBSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574501071 950320068 /nfs/dbraw/zinc/32/00/68/950320068.db2.gz AWBAUWCIDHKCAD-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574501071 950320089 /nfs/dbraw/zinc/32/00/89/950320089.db2.gz AWBAUWCIDHKCAD-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@]1(C(=O)NCC[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575593887 950322938 /nfs/dbraw/zinc/32/29/38/950322938.db2.gz HPCGIZIMFIZXNG-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NCC[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575593887 950322959 /nfs/dbraw/zinc/32/29/59/950322959.db2.gz HPCGIZIMFIZXNG-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574501265 950322900 /nfs/dbraw/zinc/32/29/00/950322900.db2.gz CJLXOIPSFKFHSW-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574501265 950322926 /nfs/dbraw/zinc/32/29/26/950322926.db2.gz CJLXOIPSFKFHSW-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM CC(C)(C)OC(=O)N(CCO)C1CCN(c2cc(-c3nnn[n-]3)cnn2)CC1 ZINC001573853481 950323714 /nfs/dbraw/zinc/32/37/14/950323714.db2.gz QCTGXBHVRYWNNV-UHFFFAOYSA-N -1 3 390.448 0.855 20 0 GCADHM CC(C)(C)OC(=O)N(CCO)C1CCN(c2cc(-c3nn[n-]n3)cnn2)CC1 ZINC001573853481 950323736 /nfs/dbraw/zinc/32/37/36/950323736.db2.gz QCTGXBHVRYWNNV-UHFFFAOYSA-N -1 3 390.448 0.855 20 0 GCADHM C[C@]1(C(=O)NCC[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575593890 950324112 /nfs/dbraw/zinc/32/41/12/950324112.db2.gz HPCGIZIMFIZXNG-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NCC[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575593890 950324133 /nfs/dbraw/zinc/32/41/33/950324133.db2.gz HPCGIZIMFIZXNG-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576194058 950328204 /nfs/dbraw/zinc/32/82/04/950328204.db2.gz YCSMYVQIKJTUFA-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576194058 950328223 /nfs/dbraw/zinc/32/82/23/950328223.db2.gz YCSMYVQIKJTUFA-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)ccn2)[C@@H](O)C1 ZINC001573853504 950328730 /nfs/dbraw/zinc/32/87/30/950328730.db2.gz QKJBDJSNZAAPKT-YPMHNXCESA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)ccn2)[C@@H](O)C1 ZINC001573853504 950328755 /nfs/dbraw/zinc/32/87/55/950328755.db2.gz QKJBDJSNZAAPKT-YPMHNXCESA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](O)C1 ZINC001573853751 950331270 /nfs/dbraw/zinc/33/12/70/950331270.db2.gz VCLICQCRRRIWHQ-UONOGXRCSA-N -1 3 388.428 0.967 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](O)C1 ZINC001573853751 950331290 /nfs/dbraw/zinc/33/12/90/950331290.db2.gz VCLICQCRRRIWHQ-UONOGXRCSA-N -1 3 388.428 0.967 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573853729 950332511 /nfs/dbraw/zinc/33/25/11/950332511.db2.gz UVJFQKYQFVBNTL-CABZTGNLSA-N -1 3 377.405 0.295 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573853729 950332534 /nfs/dbraw/zinc/33/25/34/950332534.db2.gz UVJFQKYQFVBNTL-CABZTGNLSA-N -1 3 377.405 0.295 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](O)C1 ZINC001573853749 950332716 /nfs/dbraw/zinc/33/27/16/950332716.db2.gz VCLICQCRRRIWHQ-KGLIPLIRSA-N -1 3 388.428 0.967 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](O)C1 ZINC001573853749 950332738 /nfs/dbraw/zinc/33/27/38/950332738.db2.gz VCLICQCRRRIWHQ-KGLIPLIRSA-N -1 3 388.428 0.967 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1CCOCC1 ZINC001574743721 950334509 /nfs/dbraw/zinc/33/45/09/950334509.db2.gz VNYOKRRTOJBUMQ-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1CCOCC1 ZINC001574743721 950334529 /nfs/dbraw/zinc/33/45/29/950334529.db2.gz VNYOKRRTOJBUMQ-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cnccc2-c2nnn[n-]2)[C@H](O)C1 ZINC001573854027 950337493 /nfs/dbraw/zinc/33/74/93/950337493.db2.gz XBLPINRBZJDGEY-QWHCGFSZSA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cnccc2-c2nn[n-]n2)[C@H](O)C1 ZINC001573854027 950337512 /nfs/dbraw/zinc/33/75/12/950337512.db2.gz XBLPINRBZJDGEY-QWHCGFSZSA-N -1 3 389.416 0.362 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COc1ccccc1 ZINC001574988610 950337786 /nfs/dbraw/zinc/33/77/86/950337786.db2.gz SPVPPLZRHNYBGH-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COc1ccccc1 ZINC001574988610 950337807 /nfs/dbraw/zinc/33/78/07/950337807.db2.gz SPVPPLZRHNYBGH-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574501628 950338495 /nfs/dbraw/zinc/33/84/95/950338495.db2.gz FLCYTLNGUVPRKZ-XHDPSFHLSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001574501628 950338509 /nfs/dbraw/zinc/33/85/09/950338509.db2.gz FLCYTLNGUVPRKZ-XHDPSFHLSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(N)=O ZINC001574501695 950340086 /nfs/dbraw/zinc/34/00/86/950340086.db2.gz GKRCGHCOQJGVCI-JTQLQIEISA-N -1 3 378.412 0.001 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574744043 950340914 /nfs/dbraw/zinc/34/09/14/950340914.db2.gz WINUVNWGXXRGDD-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574744043 950340934 /nfs/dbraw/zinc/34/09/34/950340934.db2.gz WINUVNWGXXRGDD-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001576194381 950341953 /nfs/dbraw/zinc/34/19/53/950341953.db2.gz ZQDOPGQLKKQCDV-ZYHUDNBSSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001576194381 950341970 /nfs/dbraw/zinc/34/19/70/950341970.db2.gz ZQDOPGQLKKQCDV-ZYHUDNBSSA-N -1 3 383.416 0.446 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(c2cc(-c3nnn[n-]3)cnn2)C[C@@H]1CCO ZINC001573854307 950342897 /nfs/dbraw/zinc/34/28/97/950342897.db2.gz ZVLLEGXKZINQDH-LBPRGKRZSA-N -1 3 376.421 0.465 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(c2cc(-c3nn[n-]n3)cnn2)C[C@@H]1CCO ZINC001573854307 950342917 /nfs/dbraw/zinc/34/29/17/950342917.db2.gz ZVLLEGXKZINQDH-LBPRGKRZSA-N -1 3 376.421 0.465 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001573854699 950344299 /nfs/dbraw/zinc/34/42/99/950344299.db2.gz CLQKQHLVYJZTNB-ZDUSSCGKSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001573854699 950344322 /nfs/dbraw/zinc/34/43/22/950344322.db2.gz CLQKQHLVYJZTNB-ZDUSSCGKSA-N -1 3 388.476 0.550 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2ccnc2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576194444 950344579 /nfs/dbraw/zinc/34/45/79/950344579.db2.gz ZZPJVSVLYMVQMT-CHWSQXEVSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001574988768 950345259 /nfs/dbraw/zinc/34/52/59/950345259.db2.gz UTVRQKJHDLRDHO-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cn2c(n1)CCC2 ZINC001574988768 950345279 /nfs/dbraw/zinc/34/52/79/950345279.db2.gz UTVRQKJHDLRDHO-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)Nc1ccccc1 ZINC001574988945 950347137 /nfs/dbraw/zinc/34/71/37/950347137.db2.gz WSIBILSTTULCKS-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)Nc1ccccc1 ZINC001574988945 950347155 /nfs/dbraw/zinc/34/71/55/950347155.db2.gz WSIBILSTTULCKS-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576194543 950347515 /nfs/dbraw/zinc/34/75/15/950347515.db2.gz ZYFBZNZOLWFVQK-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576194543 950347525 /nfs/dbraw/zinc/34/75/25/950347525.db2.gz ZYFBZNZOLWFVQK-NEPJUHHUSA-N -1 3 382.432 0.601 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574988801 950349231 /nfs/dbraw/zinc/34/92/31/950349231.db2.gz VIEYUNCZEJCRGT-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574988801 950349253 /nfs/dbraw/zinc/34/92/53/950349253.db2.gz VIEYUNCZEJCRGT-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@]1(C(=O)NCCN(c2ncccc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575595284 950350979 /nfs/dbraw/zinc/35/09/79/950350979.db2.gz YVNRHZPOQNJQEN-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NCCN(c2ncccc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575595284 950350999 /nfs/dbraw/zinc/35/09/99/950350999.db2.gz YVNRHZPOQNJQEN-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC001573854784 950351725 /nfs/dbraw/zinc/35/17/25/950351725.db2.gz GEHMAWVOHHTHIY-TZMCWYRMSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC001573854784 950351743 /nfs/dbraw/zinc/35/17/43/950351743.db2.gz GEHMAWVOHHTHIY-TZMCWYRMSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@]1(C(=O)NCCC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575595226 950352929 /nfs/dbraw/zinc/35/29/29/950352929.db2.gz NQRNJAGXWXNCEK-QGZVFWFLSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@@]1(C(=O)NCCC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575595226 950352949 /nfs/dbraw/zinc/35/29/49/950352949.db2.gz NQRNJAGXWXNCEK-QGZVFWFLSA-N -1 3 387.444 0.638 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1=O ZINC001573854775 950353105 /nfs/dbraw/zinc/35/31/05/950353105.db2.gz GEHMAWVOHHTHIY-GXTWGEPZSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1=O ZINC001573854775 950353126 /nfs/dbraw/zinc/35/31/26/950353126.db2.gz GEHMAWVOHHTHIY-GXTWGEPZSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574744447 950355051 /nfs/dbraw/zinc/35/50/51/950355051.db2.gz YOGUUKYIKMCYOF-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574744447 950355068 /nfs/dbraw/zinc/35/50/68/950355068.db2.gz YOGUUKYIKMCYOF-BMLIUANNSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)c1ccnn1C ZINC001574744534 950357945 /nfs/dbraw/zinc/35/79/45/950357945.db2.gz ZWUPWLRSNZQIIP-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1cnnn1 ZINC001574161312 950357720 /nfs/dbraw/zinc/35/77/20/950357720.db2.gz SSLGXGAINLROFY-LLVKDONJSA-N -1 3 389.399 0.030 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1cnnn1 ZINC001574161312 950357736 /nfs/dbraw/zinc/35/77/36/950357736.db2.gz SSLGXGAINLROFY-LLVKDONJSA-N -1 3 389.399 0.030 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)c1ccnn1C ZINC001574744534 950357959 /nfs/dbraw/zinc/35/79/59/950357959.db2.gz ZWUPWLRSNZQIIP-GHMZBOCLSA-N -1 3 385.432 0.309 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573855244 950362007 /nfs/dbraw/zinc/36/20/07/950362007.db2.gz MVYKWCFLJFLESH-CYBMUJFWSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573855244 950362025 /nfs/dbraw/zinc/36/20/25/950362025.db2.gz MVYKWCFLJFLESH-CYBMUJFWSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cn(C)nn1 ZINC001574161506 950362531 /nfs/dbraw/zinc/36/25/31/950362531.db2.gz VOTIRUONRUWMJQ-LLVKDONJSA-N -1 3 388.411 0.786 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cn(C)nn1 ZINC001574161506 950362556 /nfs/dbraw/zinc/36/25/56/950362556.db2.gz VOTIRUONRUWMJQ-LLVKDONJSA-N -1 3 388.411 0.786 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574502225 950364309 /nfs/dbraw/zinc/36/43/09/950364309.db2.gz KQLZGSDEZPUJNJ-CHWSQXEVSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574502227 950365432 /nfs/dbraw/zinc/36/54/32/950365432.db2.gz KQLZGSDEZPUJNJ-QWHCGFSZSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001574989474 950368366 /nfs/dbraw/zinc/36/83/66/950368366.db2.gz ZNFHXVIGGISXIK-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001574989474 950368394 /nfs/dbraw/zinc/36/83/94/950368394.db2.gz ZNFHXVIGGISXIK-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1=O ZINC001573855348 950369537 /nfs/dbraw/zinc/36/95/37/950369537.db2.gz REMFIEDFZQLTIK-TZMCWYRMSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@@H](N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1=O ZINC001573855348 950369556 /nfs/dbraw/zinc/36/95/56/950369556.db2.gz REMFIEDFZQLTIK-TZMCWYRMSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001574990386 950370343 /nfs/dbraw/zinc/37/03/43/950370343.db2.gz BDKHVAANJXAKBE-JTQLQIEISA-N -1 3 385.432 0.141 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C(C)(C)c1cnn(C)c1 ZINC001574990386 950370362 /nfs/dbraw/zinc/37/03/62/950370362.db2.gz BDKHVAANJXAKBE-JTQLQIEISA-N -1 3 385.432 0.141 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1(CF)CCOCC1 ZINC001574990410 950370560 /nfs/dbraw/zinc/37/05/60/950370560.db2.gz BVDZYJBFRAKMIR-JTQLQIEISA-N -1 3 379.396 0.196 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1(CF)CCOCC1 ZINC001574990410 950370576 /nfs/dbraw/zinc/37/05/76/950370576.db2.gz BVDZYJBFRAKMIR-JTQLQIEISA-N -1 3 379.396 0.196 20 0 GCADHM CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574162057 950372243 /nfs/dbraw/zinc/37/22/43/950372243.db2.gz YMFQHHOYUYDPFA-SNVBAGLBSA-N -1 3 386.420 0.352 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1ncc(Cl)n1C ZINC001574745137 950372360 /nfs/dbraw/zinc/37/23/60/950372360.db2.gz FMPRDVHDGDWXDG-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574990395 950372714 /nfs/dbraw/zinc/37/27/14/950372714.db2.gz BFMKLCZACIXMNB-ZYHUDNBSSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001574990395 950372734 /nfs/dbraw/zinc/37/27/34/950372734.db2.gz BFMKLCZACIXMNB-ZYHUDNBSSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CC1 ZINC001574502337 950374828 /nfs/dbraw/zinc/37/48/28/950374828.db2.gz MANOBCIRYNHKSE-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CC1 ZINC001574502337 950374850 /nfs/dbraw/zinc/37/48/50/950374850.db2.gz MANOBCIRYNHKSE-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CC1 ZINC001574502339 950375915 /nfs/dbraw/zinc/37/59/15/950375915.db2.gz MANOBCIRYNHKSE-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CC1 ZINC001574502339 950375931 /nfs/dbraw/zinc/37/59/31/950375931.db2.gz MANOBCIRYNHKSE-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574502333 950376956 /nfs/dbraw/zinc/37/69/56/950376956.db2.gz LZNRPKXJSMITKD-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574502333 950376975 /nfs/dbraw/zinc/37/69/75/950376975.db2.gz LZNRPKXJSMITKD-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001574502480 950379450 /nfs/dbraw/zinc/37/94/50/950379450.db2.gz NWIIHMMYRQHSJY-NSHDSACASA-N -1 3 385.432 0.310 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001574502480 950379471 /nfs/dbraw/zinc/37/94/71/950379471.db2.gz NWIIHMMYRQHSJY-NSHDSACASA-N -1 3 385.432 0.310 20 0 GCADHM CC(C)(C)NC(=O)CN1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573855463 950381301 /nfs/dbraw/zinc/38/13/01/950381301.db2.gz UVLPWKVIQOKMIE-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM CC(C)(C)NC(=O)CN1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573855463 950381321 /nfs/dbraw/zinc/38/13/21/950381321.db2.gz UVLPWKVIQOKMIE-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574162435 950381704 /nfs/dbraw/zinc/38/17/04/950381704.db2.gz AMXBIGHOYJSCOJ-NSHDSACASA-N -1 3 383.416 0.602 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574162435 950381722 /nfs/dbraw/zinc/38/17/22/950381722.db2.gz AMXBIGHOYJSCOJ-NSHDSACASA-N -1 3 383.416 0.602 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ncccc1-c1nnn[n-]1 ZINC001574745382 950381758 /nfs/dbraw/zinc/38/17/58/950381758.db2.gz IXEFAHKYHFGDNL-LLVKDONJSA-N -1 3 385.432 0.884 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ncccc1-c1nn[n-]n1 ZINC001574745382 950381777 /nfs/dbraw/zinc/38/17/77/950381777.db2.gz IXEFAHKYHFGDNL-LLVKDONJSA-N -1 3 385.432 0.884 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574502505 950384014 /nfs/dbraw/zinc/38/40/14/950384014.db2.gz OKOBOEKFZFMJPK-WCQYABFASA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574502505 950384036 /nfs/dbraw/zinc/38/40/36/950384036.db2.gz OKOBOEKFZFMJPK-WCQYABFASA-N -1 3 387.448 0.184 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001573855535 950385643 /nfs/dbraw/zinc/38/56/43/950385643.db2.gz XOQIBFWBVZWPHQ-LLVKDONJSA-N -1 3 379.446 0.330 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001573855535 950385662 /nfs/dbraw/zinc/38/56/62/950385662.db2.gz XOQIBFWBVZWPHQ-LLVKDONJSA-N -1 3 379.446 0.330 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575596742 950386315 /nfs/dbraw/zinc/38/63/15/950386315.db2.gz HSXBERBCLUESGT-SEDUGSJDSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575596742 950386329 /nfs/dbraw/zinc/38/63/29/950386329.db2.gz HSXBERBCLUESGT-SEDUGSJDSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(c2nnccc2-c2nnn[n-]2)C[C@@H]1CCO ZINC001573856575 950388044 /nfs/dbraw/zinc/38/80/44/950388044.db2.gz DLXNJRXKBZTOAM-NSHDSACASA-N -1 3 376.421 0.465 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(c2nnccc2-c2nn[n-]n2)C[C@@H]1CCO ZINC001573856575 950388057 /nfs/dbraw/zinc/38/80/57/950388057.db2.gz DLXNJRXKBZTOAM-NSHDSACASA-N -1 3 376.421 0.465 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCc1ccccn1 ZINC001574991140 950388120 /nfs/dbraw/zinc/38/81/20/950388120.db2.gz HJITVAAMXNCMMY-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCc1ccccn1 ZINC001574991140 950388145 /nfs/dbraw/zinc/38/81/45/950388145.db2.gz HJITVAAMXNCMMY-LBPRGKRZSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574502711 950388565 /nfs/dbraw/zinc/38/85/65/950388565.db2.gz QQVPIUHEDOLAFM-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574502711 950388584 /nfs/dbraw/zinc/38/85/84/950388584.db2.gz QQVPIUHEDOLAFM-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)ccc2F)[C@@H](O)C1 ZINC001573856615 950389917 /nfs/dbraw/zinc/38/99/17/950389917.db2.gz GDJSYKUHNLRTFG-OLZOCXBDSA-N -1 3 392.391 0.716 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)ccc2F)[C@@H](O)C1 ZINC001573856615 950389939 /nfs/dbraw/zinc/38/99/39/950389939.db2.gz GDJSYKUHNLRTFG-OLZOCXBDSA-N -1 3 392.391 0.716 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)CCOCC1 ZINC001575596940 950392647 /nfs/dbraw/zinc/39/26/47/950392647.db2.gz WIRMBSRQTUVLMD-ZDUSSCGKSA-N -1 3 387.444 0.400 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)CCOCC1 ZINC001575596940 950392666 /nfs/dbraw/zinc/39/26/66/950392666.db2.gz WIRMBSRQTUVLMD-ZDUSSCGKSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001574502851 950394108 /nfs/dbraw/zinc/39/41/08/950394108.db2.gz REMMQNMGWMBLHM-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001574502851 950394129 /nfs/dbraw/zinc/39/41/29/950394129.db2.gz REMMQNMGWMBLHM-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2nc(-c3nnn[n-]3)cs2)C1 ZINC001573856737 950396650 /nfs/dbraw/zinc/39/66/50/950396650.db2.gz HARNMFDCKAMIBC-GXSJLCMTSA-N -1 3 381.462 0.641 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1(C2CC2)CCOCC1 ZINC001574991328 950396683 /nfs/dbraw/zinc/39/66/83/950396683.db2.gz KFANYJWXKHYMCC-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1(C2CC2)CCOCC1 ZINC001574991328 950396704 /nfs/dbraw/zinc/39/67/04/950396704.db2.gz KFANYJWXKHYMCC-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574746772 950396688 /nfs/dbraw/zinc/39/66/88/950396688.db2.gz PCITWJIKXMLDQE-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)cs1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574746772 950396708 /nfs/dbraw/zinc/39/67/08/950396708.db2.gz PCITWJIKXMLDQE-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1n[nH]c2c1CCC2 ZINC001574746280 950397181 /nfs/dbraw/zinc/39/71/81/950397181.db2.gz NFRWOUCVWUHKMW-SECBINFHSA-N -1 3 383.416 0.297 20 0 GCADHM C[C@H](CC(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001574503073 950401047 /nfs/dbraw/zinc/40/10/47/950401047.db2.gz SXOAZLXLDAFCSM-FKZRYSJHSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@H](CC(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001574503073 950401059 /nfs/dbraw/zinc/40/10/59/950401059.db2.gz SXOAZLXLDAFCSM-FKZRYSJHSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574991451 950402786 /nfs/dbraw/zinc/40/27/86/950402786.db2.gz LTRMXMWHGJSEIQ-YMTOWFKASA-N -1 3 383.387 0.908 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001574991451 950402804 /nfs/dbraw/zinc/40/28/04/950402804.db2.gz LTRMXMWHGJSEIQ-YMTOWFKASA-N -1 3 383.387 0.908 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1)NC(N)=O ZINC001574503273 950403949 /nfs/dbraw/zinc/40/39/49/950403949.db2.gz UCWJNOHRMJLZGV-ZWNOBZJWSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1)NC(N)=O ZINC001574503273 950403965 /nfs/dbraw/zinc/40/39/65/950403965.db2.gz UCWJNOHRMJLZGV-ZWNOBZJWSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCOCC(F)(F)F ZINC001574991432 950404634 /nfs/dbraw/zinc/40/46/34/950404634.db2.gz LQIGTCBVZWTUGP-MRVPVSSYSA-N -1 3 389.338 0.398 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCOCC(F)(F)F ZINC001574991432 950404652 /nfs/dbraw/zinc/40/46/52/950404652.db2.gz LQIGTCBVZWTUGP-MRVPVSSYSA-N -1 3 389.338 0.398 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574747147 950405210 /nfs/dbraw/zinc/40/52/10/950405210.db2.gz RMSRNBJKAAOZED-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574747147 950405221 /nfs/dbraw/zinc/40/52/21/950405221.db2.gz RMSRNBJKAAOZED-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C2CC2)n[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574747552 950408429 /nfs/dbraw/zinc/40/84/29/950408429.db2.gz UCYGUVUSLZOVPV-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574747505 950408909 /nfs/dbraw/zinc/40/89/09/950408909.db2.gz SYFVUQVRXKVCLW-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574747505 950408921 /nfs/dbraw/zinc/40/89/21/950408921.db2.gz SYFVUQVRXKVCLW-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnccc2-c2nnn[n-]2)C1 ZINC001573857745 950411951 /nfs/dbraw/zinc/41/19/51/950411951.db2.gz ZITBENVKLXIGJG-GXFFZTMASA-N -1 3 389.416 0.219 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2cnccc2-c2nn[n-]n2)C1 ZINC001573857745 950411957 /nfs/dbraw/zinc/41/19/57/950411957.db2.gz ZITBENVKLXIGJG-GXFFZTMASA-N -1 3 389.416 0.219 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574503471 950412291 /nfs/dbraw/zinc/41/22/91/950412291.db2.gz WYMBWJKNJIWHMJ-PWSUYJOCSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(N)=O ZINC001574503471 950412304 /nfs/dbraw/zinc/41/23/04/950412304.db2.gz WYMBWJKNJIWHMJ-PWSUYJOCSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575597449 950412746 /nfs/dbraw/zinc/41/27/46/950412746.db2.gz PYQABDXZTCXIEU-FNFWKMNBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575597449 950412759 /nfs/dbraw/zinc/41/27/59/950412759.db2.gz PYQABDXZTCXIEU-FNFWKMNBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nnnn1C(C)(C)C ZINC001574991630 950413138 /nfs/dbraw/zinc/41/31/38/950413138.db2.gz PVAMRURFBFJFSF-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nnnn1C(C)(C)C ZINC001574991630 950413157 /nfs/dbraw/zinc/41/31/57/950413157.db2.gz PVAMRURFBFJFSF-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1Cc2ccccc2C1 ZINC001574991577 950413724 /nfs/dbraw/zinc/41/37/24/950413724.db2.gz OOXNIXOLYCQJCI-NSHDSACASA-N -1 3 379.424 0.844 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1Cc2ccccc2C1 ZINC001574991577 950413738 /nfs/dbraw/zinc/41/37/38/950413738.db2.gz OOXNIXOLYCQJCI-NSHDSACASA-N -1 3 379.424 0.844 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1(c2ccccn2)CC1 ZINC001574991605 950414027 /nfs/dbraw/zinc/41/40/27/950414027.db2.gz PCQGHMYTAQFUKM-NSHDSACASA-N -1 3 380.412 0.556 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1(c2ccccn2)CC1 ZINC001574991605 950414038 /nfs/dbraw/zinc/41/40/38/950414038.db2.gz PCQGHMYTAQFUKM-NSHDSACASA-N -1 3 380.412 0.556 20 0 GCADHM C[C@H](CCNC(=O)C[C@@H](C)NC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574503626 950414173 /nfs/dbraw/zinc/41/41/73/950414173.db2.gz XWMCLWBJKNHSJE-RKDXNWHRSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@H](CCNC(=O)C[C@@H](C)NC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574503626 950414183 /nfs/dbraw/zinc/41/41/83/950414183.db2.gz XWMCLWBJKNHSJE-RKDXNWHRSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nn(C)cc1Cl ZINC001574747807 950416677 /nfs/dbraw/zinc/41/66/77/950416677.db2.gz XZGWDZBEJCNVNO-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nn(C)cc1Cl ZINC001574747807 950416688 /nfs/dbraw/zinc/41/66/88/950416688.db2.gz XZGWDZBEJCNVNO-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001574503705 950417998 /nfs/dbraw/zinc/41/79/98/950417998.db2.gz YVGVDUOMYUMMSR-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001574503705 950418017 /nfs/dbraw/zinc/41/80/17/950418017.db2.gz YVGVDUOMYUMMSR-MRVPVSSYSA-N -1 3 385.350 0.972 20 0 GCADHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2cc(-c3nnn[n-]3)cnn2)C1 ZINC001573860358 950420574 /nfs/dbraw/zinc/42/05/74/950420574.db2.gz HLZSKWJPUCNPOQ-INIZCTEOSA-N -1 3 376.421 0.513 20 0 GCADHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2cc(-c3nn[n-]n3)cnn2)C1 ZINC001573860358 950420585 /nfs/dbraw/zinc/42/05/85/950420585.db2.gz HLZSKWJPUCNPOQ-INIZCTEOSA-N -1 3 376.421 0.513 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574163391 950421444 /nfs/dbraw/zinc/42/14/44/950421444.db2.gz TTWCNPWROVPJGS-XIKOKIGWSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574163391 950421458 /nfs/dbraw/zinc/42/14/58/950421458.db2.gz TTWCNPWROVPJGS-XIKOKIGWSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574991833 950421999 /nfs/dbraw/zinc/42/19/99/950421999.db2.gz SJQPCYWWKJTECP-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574991833 950422010 /nfs/dbraw/zinc/42/20/10/950422010.db2.gz SJQPCYWWKJTECP-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)C1CC1 ZINC001574503947 950422700 /nfs/dbraw/zinc/42/27/00/950422700.db2.gz YYAOXRIYUIAREJ-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)C1CC1 ZINC001574503947 950422713 /nfs/dbraw/zinc/42/27/13/950422713.db2.gz YYAOXRIYUIAREJ-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573860330 950422701 /nfs/dbraw/zinc/42/27/01/950422701.db2.gz GGQQOZDAANHGJV-UHFFFAOYSA-N -1 3 391.432 0.687 20 0 GCADHM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573860330 950422714 /nfs/dbraw/zinc/42/27/14/950422714.db2.gz GGQQOZDAANHGJV-UHFFFAOYSA-N -1 3 391.432 0.687 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574506136 950426448 /nfs/dbraw/zinc/42/64/48/950426448.db2.gz BQFRTICOQIUXDT-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574506136 950426468 /nfs/dbraw/zinc/42/64/68/950426468.db2.gz BQFRTICOQIUXDT-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM CC1CCN(CC(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001576202542 950430005 /nfs/dbraw/zinc/43/00/05/950430005.db2.gz APVUMQUACDYNIR-CQSZACIVSA-N -1 3 385.476 0.474 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573860996 950431526 /nfs/dbraw/zinc/43/15/26/950431526.db2.gz OJYWGRGDMIGMCV-GFCCVEGCSA-N -1 3 388.432 0.799 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573860996 950431547 /nfs/dbraw/zinc/43/15/47/950431547.db2.gz OJYWGRGDMIGMCV-GFCCVEGCSA-N -1 3 388.432 0.799 20 0 GCADHM CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574163591 950431968 /nfs/dbraw/zinc/43/19/68/950431968.db2.gz WQLWPXPGAAUXQS-JTQLQIEISA-N -1 3 386.420 0.352 20 0 GCADHM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574992077 950433135 /nfs/dbraw/zinc/43/31/35/950433135.db2.gz WUSDOCZLXKPROU-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574992077 950433147 /nfs/dbraw/zinc/43/31/47/950433147.db2.gz WUSDOCZLXKPROU-NWDGAFQWSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575911182 950437607 /nfs/dbraw/zinc/43/76/07/950437607.db2.gz NEHDKWHOWMHZCE-RISCZKNCSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575911182 950437623 /nfs/dbraw/zinc/43/76/23/950437623.db2.gz NEHDKWHOWMHZCE-RISCZKNCSA-N -1 3 384.444 0.531 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001573861117 950441899 /nfs/dbraw/zinc/44/18/99/950441899.db2.gz UJFDOBPNQWTALK-CQSZACIVSA-N -1 3 390.444 0.801 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001573861117 950441910 /nfs/dbraw/zinc/44/19/10/950441910.db2.gz UJFDOBPNQWTALK-CQSZACIVSA-N -1 3 390.444 0.801 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574506850 950447022 /nfs/dbraw/zinc/44/70/22/950447022.db2.gz HGJAUCOXWLTAID-DCAQKATOSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574506850 950447032 /nfs/dbraw/zinc/44/70/32/950447032.db2.gz HGJAUCOXWLTAID-DCAQKATOSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574506851 950447057 /nfs/dbraw/zinc/44/70/57/950447057.db2.gz HGJAUCOXWLTAID-GARJFASQSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574506851 950447066 /nfs/dbraw/zinc/44/70/66/950447066.db2.gz HGJAUCOXWLTAID-GARJFASQSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@H]1CCCO1 ZINC001574750984 950447929 /nfs/dbraw/zinc/44/79/29/950447929.db2.gz JYYDSUYTZNLMIW-NWDGAFQWSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@H]1CCCO1 ZINC001574750984 950447941 /nfs/dbraw/zinc/44/79/41/950447941.db2.gz JYYDSUYTZNLMIW-NWDGAFQWSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C[C@@H]2O)CCOC1 ZINC001575604963 950448030 /nfs/dbraw/zinc/44/80/30/950448030.db2.gz IAODFZHPQIDRSN-VKJFTORMSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C[C@@H]2O)CCOC1 ZINC001575604963 950448036 /nfs/dbraw/zinc/44/80/36/950448036.db2.gz IAODFZHPQIDRSN-VKJFTORMSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncc(Cl)s1 ZINC001574992463 950451105 /nfs/dbraw/zinc/45/11/05/950451105.db2.gz CVXKIQZNSSJMHV-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncc(Cl)s1 ZINC001574992463 950451122 /nfs/dbraw/zinc/45/11/22/950451122.db2.gz CVXKIQZNSSJMHV-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574165542 950451414 /nfs/dbraw/zinc/45/14/14/950451414.db2.gz GSHVNLJEOLWDRS-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574165542 950451425 /nfs/dbraw/zinc/45/14/25/950451425.db2.gz GSHVNLJEOLWDRS-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCCOC1 ZINC001574751191 950451741 /nfs/dbraw/zinc/45/17/41/950451741.db2.gz LBONPEAUAAGLGA-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCCOC1 ZINC001574751191 950451754 /nfs/dbraw/zinc/45/17/54/950451754.db2.gz LBONPEAUAAGLGA-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001574993125 950457232 /nfs/dbraw/zinc/45/72/32/950457232.db2.gz JETMAXQRDOITOX-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001574993125 950457249 /nfs/dbraw/zinc/45/72/49/950457249.db2.gz JETMAXQRDOITOX-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575605239 950458222 /nfs/dbraw/zinc/45/82/22/950458222.db2.gz LHQRSGZXTUYVRN-IUUKEHGRSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575605239 950458233 /nfs/dbraw/zinc/45/82/33/950458233.db2.gz LHQRSGZXTUYVRN-IUUKEHGRSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574507608 950458636 /nfs/dbraw/zinc/45/86/36/950458636.db2.gz GKQUFDJGHHLVTD-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574507608 950458647 /nfs/dbraw/zinc/45/86/47/950458647.db2.gz GKQUFDJGHHLVTD-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C[C@H]2O)CCOC1 ZINC001575605403 950461391 /nfs/dbraw/zinc/46/13/91/950461391.db2.gz NJMYDZXCZUZHBM-RKVPGOIHSA-N -1 3 390.419 0.094 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574166362 950461736 /nfs/dbraw/zinc/46/17/36/950461736.db2.gz PLAWFLFDLRXTPL-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574166362 950461753 /nfs/dbraw/zinc/46/17/53/950461753.db2.gz PLAWFLFDLRXTPL-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1coc(C2CCC2)n1 ZINC001574993590 950461911 /nfs/dbraw/zinc/46/19/11/950461911.db2.gz LINLZMLNTZSGRR-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1coc(C2CCC2)n1 ZINC001574993590 950461923 /nfs/dbraw/zinc/46/19/23/950461923.db2.gz LINLZMLNTZSGRR-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1scnc1Cl ZINC001574993138 950462245 /nfs/dbraw/zinc/46/22/45/950462245.db2.gz JQTFWJMRCZWKDR-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1scnc1Cl ZINC001574993138 950462266 /nfs/dbraw/zinc/46/22/66/950462266.db2.gz JQTFWJMRCZWKDR-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1coc(C2CCC2)n1 ZINC001574993592 950464383 /nfs/dbraw/zinc/46/43/83/950464383.db2.gz LINLZMLNTZSGRR-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1coc(C2CCC2)n1 ZINC001574993592 950464402 /nfs/dbraw/zinc/46/44/02/950464402.db2.gz LINLZMLNTZSGRR-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM CC1CCN(CC(=O)NC[C@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001576204682 950467322 /nfs/dbraw/zinc/46/73/22/950467322.db2.gz ADUKOQUWJVRYHJ-CQSZACIVSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575605528 950468469 /nfs/dbraw/zinc/46/84/69/950468469.db2.gz KQXAHRIAYZZUNY-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575605528 950468489 /nfs/dbraw/zinc/46/84/89/950468489.db2.gz KQXAHRIAYZZUNY-SRBZOADZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575912630 950468524 /nfs/dbraw/zinc/46/85/24/950468524.db2.gz HVVTUHGOXLVWKY-GXSJLCMTSA-N -1 3 380.416 0.972 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912669 950469278 /nfs/dbraw/zinc/46/92/78/950469278.db2.gz IAIZFGGDUVFILI-JOYOIKCWSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575912669 950469294 /nfs/dbraw/zinc/46/92/94/950469294.db2.gz IAIZFGGDUVFILI-JOYOIKCWSA-N -1 3 381.400 0.404 20 0 GCADHM CC1CCN(CC(=O)NC[C@@H]2CCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001576204681 950469714 /nfs/dbraw/zinc/46/97/14/950469714.db2.gz ADUKOQUWJVRYHJ-AWEZNQCLSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574751950 950470705 /nfs/dbraw/zinc/47/07/05/950470705.db2.gz RYVOARXMVOCOIR-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(Cl)n(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574751950 950470718 /nfs/dbraw/zinc/47/07/18/950470718.db2.gz RYVOARXMVOCOIR-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574994474 950479581 /nfs/dbraw/zinc/47/95/81/950479581.db2.gz RUCMXXMYYHEZIC-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574994474 950479588 /nfs/dbraw/zinc/47/95/88/950479588.db2.gz RUCMXXMYYHEZIC-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H]1[C@H](NCc2ncnn2CCF)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575913675 950480950 /nfs/dbraw/zinc/48/09/50/950480950.db2.gz SVKGJXQNQAZSND-GHMZBOCLSA-N -1 3 388.411 0.149 20 0 GCADHM CC1CCN(CC(=O)N[C@]2(C)CCN(c3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576204868 950481598 /nfs/dbraw/zinc/48/15/98/950481598.db2.gz RTHGPDDKFHAYNZ-GOSISDBHSA-N -1 3 385.476 0.474 20 0 GCADHM CC1CCN(CC(=O)N[C@@]2(C)CCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576204910 950483048 /nfs/dbraw/zinc/48/30/48/950483048.db2.gz SDAHPDIUPCMTCR-SFHVURJKSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@H]1[C@@H](NCc2ncnn2CCF)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575913680 950483422 /nfs/dbraw/zinc/48/34/22/950483422.db2.gz SVKGJXQNQAZSND-QWRGUYRKSA-N -1 3 388.411 0.149 20 0 GCADHM CC1CCN(CC(=O)N[C@@]2(C)CCN(c3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576204870 950484839 /nfs/dbraw/zinc/48/48/39/950484839.db2.gz RTHGPDDKFHAYNZ-SFHVURJKSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1occ2c1CCOC2 ZINC001574994642 950488079 /nfs/dbraw/zinc/48/80/79/950488079.db2.gz VYEDAURREAOBQX-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1occ2c1CCOC2 ZINC001574994642 950488092 /nfs/dbraw/zinc/48/80/92/950488092.db2.gz VYEDAURREAOBQX-VIFPVBQESA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574752431 950488444 /nfs/dbraw/zinc/48/84/44/950488444.db2.gz WPTZWBLEJQLGMU-NWDGAFQWSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574752431 950488455 /nfs/dbraw/zinc/48/84/55/950488455.db2.gz WPTZWBLEJQLGMU-NWDGAFQWSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1occ2c1CCOC2 ZINC001574994641 950490261 /nfs/dbraw/zinc/49/02/61/950490261.db2.gz VYEDAURREAOBQX-SECBINFHSA-N -1 3 385.384 0.409 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1occ2c1CCOC2 ZINC001574994641 950490279 /nfs/dbraw/zinc/49/02/79/950490279.db2.gz VYEDAURREAOBQX-SECBINFHSA-N -1 3 385.384 0.409 20 0 GCADHM CC1CCN(CC(=O)NCC2(Nc3nccnc3-c3nnn[n-]3)CCC2)CC1 ZINC001576205045 950492194 /nfs/dbraw/zinc/49/21/94/950492194.db2.gz FXNIUVXGQGKZST-UHFFFAOYSA-N -1 3 385.476 0.839 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575913918 950492469 /nfs/dbraw/zinc/49/24/69/950492469.db2.gz KHRJMJMMERAPSH-JQWIXIFHSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575913918 950492480 /nfs/dbraw/zinc/49/24/80/950492480.db2.gz KHRJMJMMERAPSH-JQWIXIFHSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574752720 950494853 /nfs/dbraw/zinc/49/48/53/950494853.db2.gz ZMOKSGPFOPRUAA-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)c1cnn(C)c1 ZINC001574752720 950494862 /nfs/dbraw/zinc/49/48/62/950494862.db2.gz ZMOKSGPFOPRUAA-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574994881 950498497 /nfs/dbraw/zinc/49/84/97/950498497.db2.gz AWZHOKRKCNUPQL-QMMMGPOBSA-N -1 3 389.807 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574994881 950498505 /nfs/dbraw/zinc/49/85/05/950498505.db2.gz AWZHOKRKCNUPQL-QMMMGPOBSA-N -1 3 389.807 0.239 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H](C)n1cccn1 ZINC001574509196 950499067 /nfs/dbraw/zinc/49/90/67/950499067.db2.gz SECPVVJTXRNIAQ-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H](C)n1cccn1 ZINC001574509196 950499074 /nfs/dbraw/zinc/49/90/74/950499074.db2.gz SECPVVJTXRNIAQ-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573866467 950500900 /nfs/dbraw/zinc/50/09/00/950500900.db2.gz DMRYLSSDZGFTMJ-CYBMUJFWSA-N -1 3 375.433 0.716 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573866467 950500917 /nfs/dbraw/zinc/50/09/17/950500917.db2.gz DMRYLSSDZGFTMJ-CYBMUJFWSA-N -1 3 375.433 0.716 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573866474 950501128 /nfs/dbraw/zinc/50/11/28/950501128.db2.gz DOQUKIMVGUZOFR-ZDUSSCGKSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573866474 950501145 /nfs/dbraw/zinc/50/11/45/950501145.db2.gz DOQUKIMVGUZOFR-ZDUSSCGKSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573866441 950502411 /nfs/dbraw/zinc/50/24/11/950502411.db2.gz CDJAVFHDXRBCPQ-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573866441 950502426 /nfs/dbraw/zinc/50/24/26/950502426.db2.gz CDJAVFHDXRBCPQ-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC1CCN(CC(=O)NC[C@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576205233 950504122 /nfs/dbraw/zinc/50/41/22/950504122.db2.gz HPABJPGSCBZFTM-CQSZACIVSA-N -1 3 385.476 0.331 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl)NC(N)=O ZINC001574509549 950516289 /nfs/dbraw/zinc/51/62/89/950516289.db2.gz XBVCCTMKQOEAMU-SFYZADRCSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl)NC(N)=O ZINC001574509549 950516314 /nfs/dbraw/zinc/51/63/14/950516314.db2.gz XBVCCTMKQOEAMU-SFYZADRCSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1csc(=O)[nH]1 ZINC001574753273 950517143 /nfs/dbraw/zinc/51/71/43/950517143.db2.gz DUTDNMPMQOLOMS-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573867338 950526248 /nfs/dbraw/zinc/52/62/48/950526248.db2.gz WSPDRVFNVJEFHD-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)N1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573867338 950526254 /nfs/dbraw/zinc/52/62/54/950526254.db2.gz WSPDRVFNVJEFHD-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)NC(N)=O ZINC001574509865 950534555 /nfs/dbraw/zinc/53/45/55/950534555.db2.gz ZTQADRMSSPHGTQ-JTQLQIEISA-N -1 3 383.416 0.330 20 0 GCADHM C[C@@H](CC(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)NC(N)=O ZINC001574509865 950534582 /nfs/dbraw/zinc/53/45/82/950534582.db2.gz ZTQADRMSSPHGTQ-JTQLQIEISA-N -1 3 383.416 0.330 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573868364 950539385 /nfs/dbraw/zinc/53/93/85/950539385.db2.gz BTHRVVQIPGYUDD-UHFFFAOYSA-N -1 3 389.460 0.524 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573868364 950539405 /nfs/dbraw/zinc/53/94/05/950539405.db2.gz BTHRVVQIPGYUDD-UHFFFAOYSA-N -1 3 389.460 0.524 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575916568 950539265 /nfs/dbraw/zinc/53/92/65/950539265.db2.gz QLJWJNPMEJUSPN-SKDRFNHKSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575916568 950539281 /nfs/dbraw/zinc/53/92/81/950539281.db2.gz QLJWJNPMEJUSPN-SKDRFNHKSA-N -1 3 382.384 0.669 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CCO)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573868503 950541806 /nfs/dbraw/zinc/54/18/06/950541806.db2.gz CWAQXMGYXSUYDZ-UHFFFAOYSA-N -1 3 388.472 0.735 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573868503 950541829 /nfs/dbraw/zinc/54/18/29/950541829.db2.gz CWAQXMGYXSUYDZ-UHFFFAOYSA-N -1 3 388.472 0.735 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573868566 950542164 /nfs/dbraw/zinc/54/21/64/950542164.db2.gz DKQXYTVQCMSNDA-SFHVURJKSA-N -1 3 389.460 0.524 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573868566 950542181 /nfs/dbraw/zinc/54/21/81/950542181.db2.gz DKQXYTVQCMSNDA-SFHVURJKSA-N -1 3 389.460 0.524 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001574170408 950543574 /nfs/dbraw/zinc/54/35/74/950543574.db2.gz IJMFYCSZUWSEAU-OCCSQVGLSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001574170408 950543598 /nfs/dbraw/zinc/54/35/98/950543598.db2.gz IJMFYCSZUWSEAU-OCCSQVGLSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)CCCOC1 ZINC001575614612 950544870 /nfs/dbraw/zinc/54/48/70/950544870.db2.gz JZXRICJOANPWJZ-NXKACYDGSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)CCCOC1 ZINC001575614612 950544889 /nfs/dbraw/zinc/54/48/89/950544889.db2.gz JZXRICJOANPWJZ-NXKACYDGSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccco1 ZINC001574510852 950546291 /nfs/dbraw/zinc/54/62/91/950546291.db2.gz BKNCEVMCMIDCJK-BNOWGMLFSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccco1 ZINC001574510852 950546312 /nfs/dbraw/zinc/54/63/12/950546312.db2.gz BKNCEVMCMIDCJK-BNOWGMLFSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)C(F)(F)F ZINC001574510893 950546893 /nfs/dbraw/zinc/54/68/93/950546893.db2.gz DFHFZSOEJHJYKN-GDPRMGEGSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)C(F)(F)F ZINC001574510893 950546906 /nfs/dbraw/zinc/54/69/06/950546906.db2.gz DFHFZSOEJHJYKN-GDPRMGEGSA-N -1 3 385.350 0.516 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574170594 950547348 /nfs/dbraw/zinc/54/73/48/950547348.db2.gz KJSPCSFRJVFDRP-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574170594 950547364 /nfs/dbraw/zinc/54/73/64/950547364.db2.gz KJSPCSFRJVFDRP-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4ncc(-c5nnn[n-]5)cc4F)C[C@H]32)CCCOC1 ZINC001575614726 950548360 /nfs/dbraw/zinc/54/83/60/950548360.db2.gz OBPUOVNCTMPGOM-BKTMZONDSA-N -1 3 387.419 0.768 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(c4ncc(-c5nn[n-]n5)cc4F)C[C@H]32)CCCOC1 ZINC001575614726 950548376 /nfs/dbraw/zinc/54/83/76/950548376.db2.gz OBPUOVNCTMPGOM-BKTMZONDSA-N -1 3 387.419 0.768 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575916787 950549185 /nfs/dbraw/zinc/54/91/85/950549185.db2.gz RYIPTDSFDSIPCP-PWSUYJOCSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575916787 950549202 /nfs/dbraw/zinc/54/92/02/950549202.db2.gz RYIPTDSFDSIPCP-PWSUYJOCSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2n(n1)CCC2 ZINC001574754003 950553333 /nfs/dbraw/zinc/55/33/33/950553333.db2.gz JMBWWMMJJAJCPJ-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2n(n1)CCC2 ZINC001574754003 950553354 /nfs/dbraw/zinc/55/33/54/950553354.db2.gz JMBWWMMJJAJCPJ-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575916881 950553660 /nfs/dbraw/zinc/55/36/60/950553660.db2.gz SVJQPWYQOFCFHA-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575916881 950553678 /nfs/dbraw/zinc/55/36/78/950553678.db2.gz SVJQPWYQOFCFHA-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1ccco1 ZINC001574511210 950557370 /nfs/dbraw/zinc/55/73/70/950557370.db2.gz HZOIVQRVGLCRPK-KCPJHIHWSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1ccco1 ZINC001574511210 950557391 /nfs/dbraw/zinc/55/73/91/950557391.db2.gz HZOIVQRVGLCRPK-KCPJHIHWSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575917051 950557949 /nfs/dbraw/zinc/55/79/49/950557949.db2.gz URDQXJQUTCBYGP-PWSUYJOCSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575917051 950557969 /nfs/dbraw/zinc/55/79/69/950557969.db2.gz URDQXJQUTCBYGP-PWSUYJOCSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@H](CNC(=O)c1cc(CN(C)C)on1)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574998806 950558810 /nfs/dbraw/zinc/55/88/10/950558810.db2.gz AMJHXURAOLAKFN-JTQLQIEISA-N -1 3 386.420 0.184 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574998851 950562645 /nfs/dbraw/zinc/56/26/45/950562645.db2.gz BMICBSNPVQHAKA-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574998851 950562660 /nfs/dbraw/zinc/56/26/60/950562660.db2.gz BMICBSNPVQHAKA-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573869464 950564486 /nfs/dbraw/zinc/56/44/86/950564486.db2.gz PRBCFIHVHDHCHD-ZDUSSCGKSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573869464 950564504 /nfs/dbraw/zinc/56/45/04/950564504.db2.gz PRBCFIHVHDHCHD-ZDUSSCGKSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573869425 950564867 /nfs/dbraw/zinc/56/48/67/950564867.db2.gz PNZQFCBPUCDTSS-BZPMIXESSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573869425 950564894 /nfs/dbraw/zinc/56/48/94/950564894.db2.gz PNZQFCBPUCDTSS-BZPMIXESSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573869463 950565213 /nfs/dbraw/zinc/56/52/13/950565213.db2.gz PRBCFIHVHDHCHD-CYBMUJFWSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573869463 950565230 /nfs/dbraw/zinc/56/52/30/950565230.db2.gz PRBCFIHVHDHCHD-CYBMUJFWSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001574754408 950573496 /nfs/dbraw/zinc/57/34/96/950573496.db2.gz KVJMSGZPYSASLY-SNVBAGLBSA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001574754408 950573519 /nfs/dbraw/zinc/57/35/19/950573519.db2.gz KVJMSGZPYSASLY-SNVBAGLBSA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001574754407 950573936 /nfs/dbraw/zinc/57/39/36/950573936.db2.gz KVJMSGZPYSASLY-JTQLQIEISA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001574754407 950573966 /nfs/dbraw/zinc/57/39/66/950573966.db2.gz KVJMSGZPYSASLY-JTQLQIEISA-N -1 3 386.420 0.258 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnnn1C(C)(C)C ZINC001574754535 950574732 /nfs/dbraw/zinc/57/47/32/950574732.db2.gz LZEMEJQTOZYOEV-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1ccncc1 ZINC001574511914 950575956 /nfs/dbraw/zinc/57/59/56/950575956.db2.gz WEZAJXKRVJFPNM-MAZHCROVSA-N -1 3 394.439 0.516 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1ccncc1 ZINC001574511914 950575975 /nfs/dbraw/zinc/57/59/75/950575975.db2.gz WEZAJXKRVJFPNM-MAZHCROVSA-N -1 3 394.439 0.516 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)C1(C)C ZINC001575615847 950576069 /nfs/dbraw/zinc/57/60/69/950576069.db2.gz JFXHRANGZRJKHE-VXGBXAGGSA-N -1 3 389.435 0.749 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)C1(C)C ZINC001575615847 950576085 /nfs/dbraw/zinc/57/60/85/950576085.db2.gz JFXHRANGZRJKHE-VXGBXAGGSA-N -1 3 389.435 0.749 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1 ZINC001573869796 950576417 /nfs/dbraw/zinc/57/64/17/950576417.db2.gz DGXSGNQOJIVMFL-LBPRGKRZSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1 ZINC001573869796 950576435 /nfs/dbraw/zinc/57/64/35/950576435.db2.gz DGXSGNQOJIVMFL-LBPRGKRZSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574511968 950580536 /nfs/dbraw/zinc/58/05/36/950580536.db2.gz YEEFSEITVDVQBP-CYZMBNFOSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574511968 950580554 /nfs/dbraw/zinc/58/05/54/950580554.db2.gz YEEFSEITVDVQBP-CYZMBNFOSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574999724 950584097 /nfs/dbraw/zinc/58/40/97/950584097.db2.gz MIEFXKJIETWRFV-MRVPVSSYSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574999724 950584116 /nfs/dbraw/zinc/58/41/16/950584116.db2.gz MIEFXKJIETWRFV-MRVPVSSYSA-N -1 3 376.808 0.735 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575616493 950584977 /nfs/dbraw/zinc/58/49/77/950584977.db2.gz PZOCZOXIBIXHCR-JTQLQIEISA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575616493 950584991 /nfs/dbraw/zinc/58/49/91/950584991.db2.gz PZOCZOXIBIXHCR-JTQLQIEISA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c(F)cncc1F ZINC001574754814 950585980 /nfs/dbraw/zinc/58/59/80/950585980.db2.gz QRAHETRGJWQUOQ-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c(F)cncc1F ZINC001574754814 950585994 /nfs/dbraw/zinc/58/59/94/950585994.db2.gz QRAHETRGJWQUOQ-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917602 950586392 /nfs/dbraw/zinc/58/63/92/950586392.db2.gz ZWMKVGWTHKHIGF-DGCLKSJQSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917602 950586404 /nfs/dbraw/zinc/58/64/04/950586404.db2.gz ZWMKVGWTHKHIGF-DGCLKSJQSA-N -1 3 380.412 0.676 20 0 GCADHM CC(C)[C@H](CNC(=O)CN1CCC(C)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001576206972 950587903 /nfs/dbraw/zinc/58/79/03/950587903.db2.gz ZXJROMVLGHFRHO-AWEZNQCLSA-N -1 3 387.492 0.941 20 0 GCADHM CC(C)[C@@H](CNC(=O)CN1CCC(C)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001576206973 950589429 /nfs/dbraw/zinc/58/94/29/950589429.db2.gz ZXJROMVLGHFRHO-CQSZACIVSA-N -1 3 387.492 0.941 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncoc1C1CC1 ZINC001574755297 950589748 /nfs/dbraw/zinc/58/97/48/950589748.db2.gz UAIPHWFOQTXRPW-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncoc1C1CC1 ZINC001574755297 950589763 /nfs/dbraw/zinc/58/97/63/950589763.db2.gz UAIPHWFOQTXRPW-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574755169 950591069 /nfs/dbraw/zinc/59/10/69/950591069.db2.gz SOJIQXHYGJZCTA-SNVBAGLBSA-N -1 3 384.400 0.115 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574755169 950591083 /nfs/dbraw/zinc/59/10/83/950591083.db2.gz SOJIQXHYGJZCTA-SNVBAGLBSA-N -1 3 384.400 0.115 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513196 950595667 /nfs/dbraw/zinc/59/56/67/950595667.db2.gz JFSNLCGRQVEWNO-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H](C)c1cnn(C)c1 ZINC001574513196 950595683 /nfs/dbraw/zinc/59/56/83/950595683.db2.gz JFSNLCGRQVEWNO-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575616975 950595663 /nfs/dbraw/zinc/59/56/63/950595663.db2.gz WUVBHZYOKDTUPN-JTQLQIEISA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575616975 950595680 /nfs/dbraw/zinc/59/56/80/950595680.db2.gz WUVBHZYOKDTUPN-JTQLQIEISA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574755804 950599016 /nfs/dbraw/zinc/59/90/16/950599016.db2.gz WHGHAMMQTLMWCV-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574755804 950599033 /nfs/dbraw/zinc/59/90/33/950599033.db2.gz WHGHAMMQTLMWCV-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001574756228 950600288 /nfs/dbraw/zinc/60/02/88/950600288.db2.gz XQZFUUPOGMWPPQ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1nn(C)cc1Cl ZINC001574756228 950600301 /nfs/dbraw/zinc/60/03/01/950600301.db2.gz XQZFUUPOGMWPPQ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574173715 950601656 /nfs/dbraw/zinc/60/16/56/950601656.db2.gz LZTKWCKKKQPQAX-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574173715 950601669 /nfs/dbraw/zinc/60/16/69/950601669.db2.gz LZTKWCKKKQPQAX-DOMZBBRYSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574173716 950602244 /nfs/dbraw/zinc/60/22/44/950602244.db2.gz LZTKWCKKKQPQAX-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574173716 950602253 /nfs/dbraw/zinc/60/22/53/950602253.db2.gz LZTKWCKKKQPQAX-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575000405 950603744 /nfs/dbraw/zinc/60/37/44/950603744.db2.gz CKLPJCPBBGROAO-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@@](CNC(=O)c1cc(F)c[nH]1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575000405 950603756 /nfs/dbraw/zinc/60/37/56/950603756.db2.gz CKLPJCPBBGROAO-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1(C)C ZINC001575617527 950603850 /nfs/dbraw/zinc/60/38/50/950603850.db2.gz CFVNPEGNOHEZJT-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1(C)C ZINC001575617527 950603859 /nfs/dbraw/zinc/60/38/59/950603859.db2.gz CFVNPEGNOHEZJT-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CS(C)(=O)=O ZINC001575919000 950605575 /nfs/dbraw/zinc/60/55/75/950605575.db2.gz FJRGQHJFPMMGEX-KOLCDFICSA-N -1 3 382.421 0.452 20 0 GCADHM C[C@@H]1[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CS(C)(=O)=O ZINC001575919000 950605588 /nfs/dbraw/zinc/60/55/88/950605588.db2.gz FJRGQHJFPMMGEX-KOLCDFICSA-N -1 3 382.421 0.452 20 0 GCADHM C[C@H]1[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575919106 950605926 /nfs/dbraw/zinc/60/59/26/950605926.db2.gz GIFWDOHMXZKCQN-ONGXEEELSA-N -1 3 384.375 0.804 20 0 GCADHM C[C@H]1[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575919106 950605938 /nfs/dbraw/zinc/60/59/38/950605938.db2.gz GIFWDOHMXZKCQN-ONGXEEELSA-N -1 3 384.375 0.804 20 0 GCADHM CC(C)CCC(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574173848 950607243 /nfs/dbraw/zinc/60/72/43/950607243.db2.gz OEWWGOXUAMCDIL-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574173848 950607250 /nfs/dbraw/zinc/60/72/50/950607250.db2.gz OEWWGOXUAMCDIL-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573871040 950609959 /nfs/dbraw/zinc/60/99/59/950609959.db2.gz METHNLMWHKBWQJ-UHFFFAOYSA-N -1 3 380.474 0.406 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573871325 950616333 /nfs/dbraw/zinc/61/63/33/950616333.db2.gz NXMSIONGTBRZBL-MRXNPFEDSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573871325 950616351 /nfs/dbraw/zinc/61/63/51/950616351.db2.gz NXMSIONGTBRZBL-MRXNPFEDSA-N -1 3 388.472 0.999 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)C1(C)C ZINC001575619068 950616878 /nfs/dbraw/zinc/61/68/78/950616878.db2.gz MPXBDYPSFDCKSQ-CHWSQXEVSA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)C1(C)C ZINC001575619068 950616887 /nfs/dbraw/zinc/61/68/87/950616887.db2.gz MPXBDYPSFDCKSQ-CHWSQXEVSA-N -1 3 385.472 1.000 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)C[C@H](C)NC(N)=O ZINC001574513735 950617617 /nfs/dbraw/zinc/61/76/17/950617617.db2.gz XBVCCTMKQOEAMU-JGVFFNPUSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)C[C@H](C)NC(N)=O ZINC001574513735 950617634 /nfs/dbraw/zinc/61/76/34/950617634.db2.gz XBVCCTMKQOEAMU-JGVFFNPUSA-N -1 3 381.828 0.279 20 0 GCADHM CC1(C)C(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)C1(C)C ZINC001575619082 950618134 /nfs/dbraw/zinc/61/81/34/950618134.db2.gz MPXBDYPSFDCKSQ-QWHCGFSZSA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)C1(C)C ZINC001575619082 950618160 /nfs/dbraw/zinc/61/81/60/950618160.db2.gz MPXBDYPSFDCKSQ-QWHCGFSZSA-N -1 3 385.472 1.000 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573871575 950622748 /nfs/dbraw/zinc/62/27/48/950622748.db2.gz SLWWJMMMWMFLHE-XYYAHUGASA-N -1 3 387.444 0.444 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573871575 950622767 /nfs/dbraw/zinc/62/27/67/950622767.db2.gz SLWWJMMMWMFLHE-XYYAHUGASA-N -1 3 387.444 0.444 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574174156 950623860 /nfs/dbraw/zinc/62/38/60/950623860.db2.gz QQUHZEVYGOAJON-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574174156 950623874 /nfs/dbraw/zinc/62/38/74/950623874.db2.gz QQUHZEVYGOAJON-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574515150 950624723 /nfs/dbraw/zinc/62/47/23/950624723.db2.gz AMYLGHYKHLZGIX-WCFLWFBJSA-N -1 3 383.416 0.420 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001573871803 950627664 /nfs/dbraw/zinc/62/76/64/950627664.db2.gz WZNVPLQJBBMUKU-CQSZACIVSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001573871803 950627675 /nfs/dbraw/zinc/62/76/75/950627675.db2.gz WZNVPLQJBBMUKU-CQSZACIVSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573871975 950632509 /nfs/dbraw/zinc/63/25/09/950632509.db2.gz YFFBJMLQKWHADY-KRWDZBQOSA-N -1 3 375.433 0.134 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573871975 950632518 /nfs/dbraw/zinc/63/25/18/950632518.db2.gz YFFBJMLQKWHADY-KRWDZBQOSA-N -1 3 375.433 0.134 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574515704 950633904 /nfs/dbraw/zinc/63/39/04/950633904.db2.gz FNVXXUWONZFIOS-JHJVBQTASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574515704 950633912 /nfs/dbraw/zinc/63/39/12/950633912.db2.gz FNVXXUWONZFIOS-JHJVBQTASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575001539 950636857 /nfs/dbraw/zinc/63/68/57/950636857.db2.gz MRXHXGWHKRKKJD-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)n(C)n1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575001539 950636866 /nfs/dbraw/zinc/63/68/66/950636866.db2.gz MRXHXGWHKRKKJD-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001575622750 950644786 /nfs/dbraw/zinc/64/47/86/950644786.db2.gz GRWLKSMFHVZONV-CHWSQXEVSA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001575622750 950644806 /nfs/dbraw/zinc/64/48/06/950644806.db2.gz GRWLKSMFHVZONV-CHWSQXEVSA-N -1 3 385.472 1.000 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574759860 950648267 /nfs/dbraw/zinc/64/82/67/950648267.db2.gz GDTAZAZWPJMXHB-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574759860 950648276 /nfs/dbraw/zinc/64/82/76/950648276.db2.gz GDTAZAZWPJMXHB-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)on1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575001998 950648940 /nfs/dbraw/zinc/64/89/40/950648940.db2.gz YDGQNIQKTHPUSH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)on1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575001998 950648954 /nfs/dbraw/zinc/64/89/54/950648954.db2.gz YDGQNIQKTHPUSH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573873675 950654881 /nfs/dbraw/zinc/65/48/81/950654881.db2.gz XSPAQMLPQHPUSV-YPMHNXCESA-N -1 3 378.408 0.487 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573873675 950654886 /nfs/dbraw/zinc/65/48/86/950654886.db2.gz XSPAQMLPQHPUSV-YPMHNXCESA-N -1 3 378.408 0.487 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575002188 950654838 /nfs/dbraw/zinc/65/48/38/950654838.db2.gz ZYQVMKAKMFKSNB-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575002188 950654851 /nfs/dbraw/zinc/65/48/51/950654851.db2.gz ZYQVMKAKMFKSNB-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574518682 950654836 /nfs/dbraw/zinc/65/48/36/950654836.db2.gz PNGXTYVNFPBUEZ-GMTAPVOTSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574518682 950654849 /nfs/dbraw/zinc/65/48/49/950654849.db2.gz PNGXTYVNFPBUEZ-GMTAPVOTSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574518699 950655877 /nfs/dbraw/zinc/65/58/77/950655877.db2.gz PWDVMXLONKGOSK-DRZSPHRISA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574518699 950655902 /nfs/dbraw/zinc/65/59/02/950655902.db2.gz PWDVMXLONKGOSK-DRZSPHRISA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001574519125 950670143 /nfs/dbraw/zinc/67/01/43/950670143.db2.gz BJKMHUYOKCJXEF-GDLCADMTSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001574519125 950670150 /nfs/dbraw/zinc/67/01/50/950670150.db2.gz BJKMHUYOKCJXEF-GDLCADMTSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573876357 950670849 /nfs/dbraw/zinc/67/08/49/950670849.db2.gz MLSQKALIEQOPHD-CHWSQXEVSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573876357 950670862 /nfs/dbraw/zinc/67/08/62/950670862.db2.gz MLSQKALIEQOPHD-CHWSQXEVSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccn2nnnc2c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574760678 950675962 /nfs/dbraw/zinc/67/59/62/950675962.db2.gz XREZBLRQCYVQDL-JTQLQIEISA-N -1 3 379.388 0.272 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccn2nnnc2c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574760678 950675977 /nfs/dbraw/zinc/67/59/77/950675977.db2.gz XREZBLRQCYVQDL-JTQLQIEISA-N -1 3 379.388 0.272 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576214831 950684268 /nfs/dbraw/zinc/68/42/68/950684268.db2.gz CMLZJNTUYUJJQK-XPTSAGLGSA-N -1 3 383.416 0.130 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn2c(n1)CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574760878 950684596 /nfs/dbraw/zinc/68/45/96/950684596.db2.gz NPWVDHJTTFVKLB-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn2c(n1)CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574760878 950684610 /nfs/dbraw/zinc/68/46/10/950684610.db2.gz NPWVDHJTTFVKLB-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575005517 950688058 /nfs/dbraw/zinc/68/80/58/950688058.db2.gz GUICJYXUKGCFMZ-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cc1cc[nH]n1)C1CC1 ZINC001575005517 950688072 /nfs/dbraw/zinc/68/80/72/950688072.db2.gz GUICJYXUKGCFMZ-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)C1 ZINC001575625635 950691544 /nfs/dbraw/zinc/69/15/44/950691544.db2.gz VMKNQVMYWKCYPN-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)C1 ZINC001575625635 950691558 /nfs/dbraw/zinc/69/15/58/950691558.db2.gz VMKNQVMYWKCYPN-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1n[nH]cc1F)C1CC1 ZINC001575005653 950693799 /nfs/dbraw/zinc/69/37/99/950693799.db2.gz KBDFWUYKTKTEAN-MRXNPFEDSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cnns1)C1CC1 ZINC001575005602 950695476 /nfs/dbraw/zinc/69/54/76/950695476.db2.gz ISFGLUATYOJJKP-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cnns1)C1CC1 ZINC001575005602 950695495 /nfs/dbraw/zinc/69/54/95/950695495.db2.gz ISFGLUATYOJJKP-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575005745 950700712 /nfs/dbraw/zinc/70/07/12/950700712.db2.gz MKHLLYLPDZWBMS-SFHVURJKSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575005745 950700727 /nfs/dbraw/zinc/70/07/27/950700727.db2.gz MKHLLYLPDZWBMS-SFHVURJKSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ccccn1)C1CC1 ZINC001575005813 950703693 /nfs/dbraw/zinc/70/36/93/950703693.db2.gz NUPWHSKYWKQKKP-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ccccn1)C1CC1 ZINC001575005813 950703709 /nfs/dbraw/zinc/70/37/09/950703709.db2.gz NUPWHSKYWKQKKP-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574762560 950708295 /nfs/dbraw/zinc/70/82/95/950708295.db2.gz YXVJWMVRNXCUMC-QMMMGPOBSA-N -1 3 375.368 0.413 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574763403 950713119 /nfs/dbraw/zinc/71/31/19/950713119.db2.gz AIZXFSJTSTZGEI-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574763403 950713136 /nfs/dbraw/zinc/71/31/36/950713136.db2.gz AIZXFSJTSTZGEI-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574520101 950713463 /nfs/dbraw/zinc/71/34/63/950713463.db2.gz LOJHBYPXSKKWGM-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574520101 950713480 /nfs/dbraw/zinc/71/34/80/950713480.db2.gz LOJHBYPXSKKWGM-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C(=O)N1C[C@@H](C)O[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576215878 950715735 /nfs/dbraw/zinc/71/57/35/950715735.db2.gz CAEONNNYBCMQKH-XIKOKIGWSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)C(=O)N1C[C@@H](C)O[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576215878 950715752 /nfs/dbraw/zinc/71/57/52/950715752.db2.gz CAEONNNYBCMQKH-XIKOKIGWSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573878531 950716076 /nfs/dbraw/zinc/71/60/76/950716076.db2.gz SIMPWTTZCAFXDI-GMTAPVOTSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573878531 950716083 /nfs/dbraw/zinc/71/60/83/950716083.db2.gz SIMPWTTZCAFXDI-GMTAPVOTSA-N -1 3 375.433 0.084 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575006207 950716551 /nfs/dbraw/zinc/71/65/51/950716551.db2.gz SNOYMWJOLCXWSU-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575006207 950716567 /nfs/dbraw/zinc/71/65/67/950716567.db2.gz SNOYMWJOLCXWSU-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)C1 ZINC001575628314 950717705 /nfs/dbraw/zinc/71/77/05/950717705.db2.gz CSJWMBRICWUTJP-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)C1 ZINC001575628314 950717722 /nfs/dbraw/zinc/71/77/22/950717722.db2.gz CSJWMBRICWUTJP-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)C1 ZINC001575628315 950718503 /nfs/dbraw/zinc/71/85/03/950718503.db2.gz CSJWMBRICWUTJP-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)C1 ZINC001575628315 950718519 /nfs/dbraw/zinc/71/85/19/950718519.db2.gz CSJWMBRICWUTJP-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575006486 950719993 /nfs/dbraw/zinc/71/99/93/950719993.db2.gz UWQILMFOAQKSIJ-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575006486 950720008 /nfs/dbraw/zinc/72/00/08/950720008.db2.gz UWQILMFOAQKSIJ-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)[nH]n1 ZINC001573879673 950726712 /nfs/dbraw/zinc/72/67/12/950726712.db2.gz IQEFTHNPDCVOIK-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)[nH]n1 ZINC001573879673 950726727 /nfs/dbraw/zinc/72/67/27/950726727.db2.gz IQEFTHNPDCVOIK-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001575006972 950728736 /nfs/dbraw/zinc/72/87/36/950728736.db2.gz ZHSPFSHHALORCS-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001575006972 950728755 /nfs/dbraw/zinc/72/87/55/950728755.db2.gz ZHSPFSHHALORCS-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575006954 950728835 /nfs/dbraw/zinc/72/88/35/950728835.db2.gz YZDBOALKBVUPET-KRWDZBQOSA-N -1 3 387.400 0.098 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C1=COCCO1)C1CC1 ZINC001575006954 950728845 /nfs/dbraw/zinc/72/88/45/950728845.db2.gz YZDBOALKBVUPET-KRWDZBQOSA-N -1 3 387.400 0.098 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574520389 950730366 /nfs/dbraw/zinc/73/03/66/950730366.db2.gz QVRWYCHFKCZTGX-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574520389 950730376 /nfs/dbraw/zinc/73/03/76/950730376.db2.gz QVRWYCHFKCZTGX-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ccncn1)C1CC1 ZINC001575006933 950730707 /nfs/dbraw/zinc/73/07/07/950730707.db2.gz YDKIHKVSLUOSAK-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ccncn1)C1CC1 ZINC001575006933 950730718 /nfs/dbraw/zinc/73/07/18/950730718.db2.gz YDKIHKVSLUOSAK-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575007045 950735148 /nfs/dbraw/zinc/73/51/48/950735148.db2.gz ZXNBZUDXWJDWTG-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575007045 950735160 /nfs/dbraw/zinc/73/51/60/950735160.db2.gz ZXNBZUDXWJDWTG-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576216660 950741280 /nfs/dbraw/zinc/74/12/80/950741280.db2.gz FEAVUHHXNATUCO-KCJUWKMLSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576216660 950741294 /nfs/dbraw/zinc/74/12/94/950741294.db2.gz FEAVUHHXNATUCO-KCJUWKMLSA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574181393 950742967 /nfs/dbraw/zinc/74/29/67/950742967.db2.gz MLSNCFVCLBRAIG-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574181393 950742975 /nfs/dbraw/zinc/74/29/75/950742975.db2.gz MLSNCFVCLBRAIG-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)C1 ZINC001575629745 950744107 /nfs/dbraw/zinc/74/41/07/950744107.db2.gz RUXWHYBPIXDDJN-BXUZGUMPSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)C1 ZINC001575629745 950744126 /nfs/dbraw/zinc/74/41/26/950744126.db2.gz RUXWHYBPIXDDJN-BXUZGUMPSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H]1CCc2nc(C(=O)NCCN(C)c3ncccc3-c3nnn[n-]3)cn2C1 ZINC001576216855 950744258 /nfs/dbraw/zinc/74/42/58/950744258.db2.gz JRCUDBOJLOHBNL-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)no1 ZINC001573880261 950744077 /nfs/dbraw/zinc/74/40/77/950744077.db2.gz WVCICGFLTJFUBN-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)no1 ZINC001573880261 950744105 /nfs/dbraw/zinc/74/41/05/950744105.db2.gz WVCICGFLTJFUBN-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM C[C@H]1CCc2nc(C(=O)NCCN(C)c3ncccc3-c3nn[n-]n3)cn2C1 ZINC001576216855 950744274 /nfs/dbraw/zinc/74/42/74/950744274.db2.gz JRCUDBOJLOHBNL-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1CCCOCC1 ZINC001575008465 950746969 /nfs/dbraw/zinc/74/69/69/950746969.db2.gz FJIUVNDJISFLHY-RYUDHWBXSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CCCOCC1 ZINC001575008465 950746982 /nfs/dbraw/zinc/74/69/82/950746982.db2.gz FJIUVNDJISFLHY-RYUDHWBXSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576216986 950749920 /nfs/dbraw/zinc/74/99/20/950749920.db2.gz FOWIINNNOBNFLC-KWQFWETISA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576216986 950749935 /nfs/dbraw/zinc/74/99/35/950749935.db2.gz FOWIINNNOBNFLC-KWQFWETISA-N -1 3 379.371 0.817 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001575629975 950750761 /nfs/dbraw/zinc/75/07/61/950750761.db2.gz XEYBAPRWZWYHRO-SFHVURJKSA-N -1 3 389.435 0.894 20 0 GCADHM CC1(C)CC(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001575629975 950750777 /nfs/dbraw/zinc/75/07/77/950750777.db2.gz XEYBAPRWZWYHRO-SFHVURJKSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cnc(Cl)n1C ZINC001575008822 950756069 /nfs/dbraw/zinc/75/60/69/950756069.db2.gz ITQZDPBBCMRFNM-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cnc(Cl)n1C ZINC001575008822 950756087 /nfs/dbraw/zinc/75/60/87/950756087.db2.gz ITQZDPBBCMRFNM-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCCn1ccnc1 ZINC001575008800 950756142 /nfs/dbraw/zinc/75/61/42/950756142.db2.gz IIVGITXNOMRHCT-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCCn1ccnc1 ZINC001575008800 950756154 /nfs/dbraw/zinc/75/61/54/950756154.db2.gz IIVGITXNOMRHCT-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)CCn3ncn(C)c3=O)c(-c3nnn[n-]3)cc2C1 ZINC001576217275 950756185 /nfs/dbraw/zinc/75/61/85/950756185.db2.gz LMXNOPXOINRWRM-SNVBAGLBSA-N -1 3 383.416 0.311 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)CCn3ncn(C)c3=O)c(-c3nn[n-]n3)cc2C1 ZINC001576217275 950756202 /nfs/dbraw/zinc/75/62/02/950756202.db2.gz LMXNOPXOINRWRM-SNVBAGLBSA-N -1 3 383.416 0.311 20 0 GCADHM CC1(C)CC(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575630259 950756821 /nfs/dbraw/zinc/75/68/21/950756821.db2.gz ZMESTLPTGNKUND-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575630259 950756833 /nfs/dbraw/zinc/75/68/33/950756833.db2.gz ZMESTLPTGNKUND-GOSISDBHSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576217398 950760660 /nfs/dbraw/zinc/76/06/60/950760660.db2.gz NJOOQPKTWAHMKV-VHSXEESVSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cncnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574520999 950761921 /nfs/dbraw/zinc/76/19/21/950761921.db2.gz CDNATZCIEKJFSY-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1cncnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574520999 950761932 /nfs/dbraw/zinc/76/19/32/950761932.db2.gz CDNATZCIEKJFSY-WDEREUQCSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576217747 950768089 /nfs/dbraw/zinc/76/80/89/950768089.db2.gz JAJRRRMJVKHCOD-NEPJUHHUSA-N -1 3 384.444 0.424 20 0 GCADHM C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576217747 950768101 /nfs/dbraw/zinc/76/81/01/950768101.db2.gz JAJRRRMJVKHCOD-NEPJUHHUSA-N -1 3 384.444 0.424 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576217749 950768685 /nfs/dbraw/zinc/76/86/85/950768685.db2.gz JAJRRRMJVKHCOD-NWDGAFQWSA-N -1 3 384.444 0.424 20 0 GCADHM C[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576217749 950768695 /nfs/dbraw/zinc/76/86/95/950768695.db2.gz JAJRRRMJVKHCOD-NWDGAFQWSA-N -1 3 384.444 0.424 20 0 GCADHM CC(C)(C)c1ccc(-c2nnn[n-]2)c(NC2CCN(S(N)(=O)=O)CC2)n1 ZINC001573882083 950770575 /nfs/dbraw/zinc/77/05/75/950770575.db2.gz RGSXYFLOYYOBHG-UHFFFAOYSA-N -1 3 380.478 0.639 20 0 GCADHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(NC2CCN(S(N)(=O)=O)CC2)n1 ZINC001573882083 950770592 /nfs/dbraw/zinc/77/05/92/950770592.db2.gz RGSXYFLOYYOBHG-UHFFFAOYSA-N -1 3 380.478 0.639 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccnn1C ZINC001575009538 950786921 /nfs/dbraw/zinc/78/69/21/950786921.db2.gz UUUFLJPACFUAIA-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccnn1C ZINC001575009538 950786939 /nfs/dbraw/zinc/78/69/39/950786939.db2.gz UUUFLJPACFUAIA-WDEREUQCSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCC[C@H]1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765379 950789262 /nfs/dbraw/zinc/78/92/62/950789262.db2.gz CIAICQQPUUFZNZ-QWHCGFSZSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCC[C@H]1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765379 950789277 /nfs/dbraw/zinc/78/92/77/950789277.db2.gz CIAICQQPUUFZNZ-QWHCGFSZSA-N -1 3 388.476 0.646 20 0 GCADHM CC(C)(C)c1noc(CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001573884288 950789533 /nfs/dbraw/zinc/78/95/33/950789533.db2.gz CHVUTPJCSHIURH-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM CC(C)(C)c1noc(CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001573884288 950789553 /nfs/dbraw/zinc/78/95/53/950789553.db2.gz CHVUTPJCSHIURH-UHFFFAOYSA-N -1 3 385.432 0.833 20 0 GCADHM CC(C)(C)c1nnc(CN[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001573884231 950789827 /nfs/dbraw/zinc/78/98/27/950789827.db2.gz BJASKEFWRWWOLL-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001573884231 950789842 /nfs/dbraw/zinc/78/98/42/950789842.db2.gz BJASKEFWRWWOLL-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nccc(NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573884229 950793141 /nfs/dbraw/zinc/79/31/41/950793141.db2.gz BFVWLAITDLROOS-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nccc(NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573884229 950793153 /nfs/dbraw/zinc/79/31/53/950793153.db2.gz BFVWLAITDLROOS-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H](C)c1cccnc1 ZINC001575009607 950793694 /nfs/dbraw/zinc/79/36/94/950793694.db2.gz VJMKFVVLQKKYTP-VXGBXAGGSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H](C)c1cccnc1 ZINC001575009607 950793706 /nfs/dbraw/zinc/79/37/06/950793706.db2.gz VJMKFVVLQKKYTP-VXGBXAGGSA-N -1 3 382.428 0.876 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573884419 950795171 /nfs/dbraw/zinc/79/51/71/950795171.db2.gz MMHNLFZZYMRNGZ-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573884419 950795187 /nfs/dbraw/zinc/79/51/87/950795187.db2.gz MMHNLFZZYMRNGZ-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1noc(CN2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573884517 950795766 /nfs/dbraw/zinc/79/57/66/950795766.db2.gz DNFBLUFSGMEFOZ-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM CC(C)(C)c1noc(CN2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573884517 950795777 /nfs/dbraw/zinc/79/57/77/950795777.db2.gz DNFBLUFSGMEFOZ-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575632303 950796479 /nfs/dbraw/zinc/79/64/79/950796479.db2.gz GWUKYJYFUYJDTE-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575632303 950796500 /nfs/dbraw/zinc/79/65/00/950796500.db2.gz GWUKYJYFUYJDTE-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575009811 950797965 /nfs/dbraw/zinc/79/79/65/950797965.db2.gz WYQTYETXDQZKPF-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001575009811 950797976 /nfs/dbraw/zinc/79/79/76/950797976.db2.gz WYQTYETXDQZKPF-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575009808 950799235 /nfs/dbraw/zinc/79/92/35/950799235.db2.gz WYQTYETXDQZKPF-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC[C@H]1CCOC1 ZINC001575009808 950799249 /nfs/dbraw/zinc/79/92/49/950799249.db2.gz WYQTYETXDQZKPF-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575931156 950800070 /nfs/dbraw/zinc/80/00/70/950800070.db2.gz HEAFSKZPYTZKGL-KCJUWKMLSA-N -1 3 385.363 0.612 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575931156 950800087 /nfs/dbraw/zinc/80/00/87/950800087.db2.gz HEAFSKZPYTZKGL-KCJUWKMLSA-N -1 3 385.363 0.612 20 0 GCADHM C[C@H](CN(C)CC(=O)NCC(C)(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765946 950800593 /nfs/dbraw/zinc/80/05/93/950800593.db2.gz GRUHDDATLKXMKV-LLVKDONJSA-N -1 3 376.465 0.407 20 0 GCADHM C[C@H](CN(C)CC(=O)NCC(C)(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765946 950800616 /nfs/dbraw/zinc/80/06/16/950800616.db2.gz GRUHDDATLKXMKV-LLVKDONJSA-N -1 3 376.465 0.407 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCN1c1cnccn1 ZINC001576218990 950800954 /nfs/dbraw/zinc/80/09/54/950800954.db2.gz NFXAXQZEVGHDFB-MLGOLLRUSA-N -1 3 380.412 0.427 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCN1c1cnccn1 ZINC001576218990 950800970 /nfs/dbraw/zinc/80/09/70/950800970.db2.gz NFXAXQZEVGHDFB-MLGOLLRUSA-N -1 3 380.412 0.427 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576219211 950803092 /nfs/dbraw/zinc/80/30/92/950803092.db2.gz SSWAIGOWOMJFNB-ZUZCIYMTSA-N -1 3 382.432 0.298 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cn[nH]c1 ZINC001574522939 950803403 /nfs/dbraw/zinc/80/34/03/950803403.db2.gz LYGFWLJOXSGZPJ-GHMZBOCLSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cn[nH]c1 ZINC001574522939 950803418 /nfs/dbraw/zinc/80/34/18/950803418.db2.gz LYGFWLJOXSGZPJ-GHMZBOCLSA-N -1 3 385.432 0.564 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573884958 950804734 /nfs/dbraw/zinc/80/47/34/950804734.db2.gz KTQNOZCYMSDHRV-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573884958 950804745 /nfs/dbraw/zinc/80/47/45/950804745.db2.gz KTQNOZCYMSDHRV-JTQLQIEISA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574186254 950804956 /nfs/dbraw/zinc/80/49/56/950804956.db2.gz AJMGQEYJTYERJM-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574186254 950804975 /nfs/dbraw/zinc/80/49/75/950804975.db2.gz AJMGQEYJTYERJM-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576219233 950806391 /nfs/dbraw/zinc/80/63/91/950806391.db2.gz SXZNVNGZESBJNL-BMIGLBTASA-N -1 3 382.432 0.664 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCCNc1cnc(-c2nnn[n-]2)cn1 ZINC001576219567 950808660 /nfs/dbraw/zinc/80/86/60/950808660.db2.gz SXZNVNGZESBJNL-ZUZCIYMTSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)(C)c1nnc(CN2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]1 ZINC001573885062 950809587 /nfs/dbraw/zinc/80/95/87/950809587.db2.gz NOIMTKSJKDOSAB-UHFFFAOYSA-N -1 3 384.448 0.472 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576220078 950820260 /nfs/dbraw/zinc/82/02/60/950820260.db2.gz QHDWVUPHRNIRHY-ZYHUDNBSSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576220078 950820286 /nfs/dbraw/zinc/82/02/86/950820286.db2.gz QHDWVUPHRNIRHY-ZYHUDNBSSA-N -1 3 382.432 0.616 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001573885383 950820521 /nfs/dbraw/zinc/82/05/21/950820521.db2.gz PRDCYTKAQCIVCN-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001573885383 950820549 /nfs/dbraw/zinc/82/05/49/950820549.db2.gz PRDCYTKAQCIVCN-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1csnn1 ZINC001575932219 950825274 /nfs/dbraw/zinc/82/52/74/950825274.db2.gz KQQGQXHKVVMCMS-XVKPBYJWSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1csnn1 ZINC001575932219 950825290 /nfs/dbraw/zinc/82/52/90/950825290.db2.gz KQQGQXHKVVMCMS-XVKPBYJWSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ncccc3-c3nnn[n-]3)c2C1 ZINC001576220291 950830700 /nfs/dbraw/zinc/83/07/00/950830700.db2.gz WZOWLUHYQAIBNA-LLVKDONJSA-N -1 3 381.444 0.976 20 0 GCADHM C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ncccc3-c3nn[n-]n3)c2C1 ZINC001576220291 950830720 /nfs/dbraw/zinc/83/07/20/950830720.db2.gz WZOWLUHYQAIBNA-LLVKDONJSA-N -1 3 381.444 0.976 20 0 GCADHM CC(C)(C)c1cnc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001573885573 950830850 /nfs/dbraw/zinc/83/08/50/950830850.db2.gz ZYMSJBJVCJDATC-NSHDSACASA-N -1 3 388.432 0.361 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)Cn1cnnn1 ZINC001575932818 950832288 /nfs/dbraw/zinc/83/22/88/950832288.db2.gz NBXIPSNCODYHHA-GZMMTYOYSA-N -1 3 389.811 0.003 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cn1cnnn1 ZINC001575932818 950832313 /nfs/dbraw/zinc/83/23/13/950832313.db2.gz NBXIPSNCODYHHA-GZMMTYOYSA-N -1 3 389.811 0.003 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575011017 950842145 /nfs/dbraw/zinc/84/21/45/950842145.db2.gz LOXKYMVAFDAPHY-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575011017 950842165 /nfs/dbraw/zinc/84/21/65/950842165.db2.gz LOXKYMVAFDAPHY-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CCc1ncc[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574524119 950843688 /nfs/dbraw/zinc/84/36/88/950843688.db2.gz TYGOQXIJNXNRHV-WDEREUQCSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)CCc1ncc[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574524119 950843714 /nfs/dbraw/zinc/84/37/14/950843714.db2.gz TYGOQXIJNXNRHV-WDEREUQCSA-N -1 3 385.432 0.564 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573887653 950848291 /nfs/dbraw/zinc/84/82/91/950848291.db2.gz HKFAFWYDVKGQGK-PHIMTYICSA-N -1 3 385.432 0.926 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575933665 950848607 /nfs/dbraw/zinc/84/86/07/950848607.db2.gz PFCHLBHXBXKLLF-GZMMTYOYSA-N -1 3 387.379 0.555 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575933665 950848627 /nfs/dbraw/zinc/84/86/27/950848627.db2.gz PFCHLBHXBXKLLF-GZMMTYOYSA-N -1 3 387.379 0.555 20 0 GCADHM C[C@@H](CN(C)CC(=O)NC1CCCCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574767456 950853569 /nfs/dbraw/zinc/85/35/69/950853569.db2.gz ORWKDKBGYGMGBM-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@@H](CN(C)CC(=O)NC1CCCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574767456 950853589 /nfs/dbraw/zinc/85/35/89/950853589.db2.gz ORWKDKBGYGMGBM-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC1CC1 ZINC001574524375 950854672 /nfs/dbraw/zinc/85/46/72/950854672.db2.gz VZUTYEVHVZMFJR-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC1CC1 ZINC001574524375 950854703 /nfs/dbraw/zinc/85/47/03/950854703.db2.gz VZUTYEVHVZMFJR-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573887967 950855100 /nfs/dbraw/zinc/85/51/00/950855100.db2.gz MBXCCTLDEFBCMX-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573887967 950855131 /nfs/dbraw/zinc/85/51/31/950855131.db2.gz MBXCCTLDEFBCMX-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575011375 950855858 /nfs/dbraw/zinc/85/58/58/950855858.db2.gz OOBZGIKNCUXRRZ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575011375 950855878 /nfs/dbraw/zinc/85/58/78/950855878.db2.gz OOBZGIKNCUXRRZ-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001575011681 950858926 /nfs/dbraw/zinc/85/89/26/950858926.db2.gz QZNASPLGLKXCDV-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1cn(C(C)(C)C)nn1 ZINC001575011681 950858948 /nfs/dbraw/zinc/85/89/48/950858948.db2.gz QZNASPLGLKXCDV-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001574189063 950859017 /nfs/dbraw/zinc/85/90/17/950859017.db2.gz BBUNEPOSTFFUKA-HIFRSBDPSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001574189063 950859040 /nfs/dbraw/zinc/85/90/40/950859040.db2.gz BBUNEPOSTFFUKA-HIFRSBDPSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001574189062 950861297 /nfs/dbraw/zinc/86/12/97/950861297.db2.gz BBUNEPOSTFFUKA-DZGCQCFKSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001574189062 950861317 /nfs/dbraw/zinc/86/13/17/950861317.db2.gz BBUNEPOSTFFUKA-DZGCQCFKSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574767766 950867576 /nfs/dbraw/zinc/86/75/76/950867576.db2.gz QGULANXKFVECEK-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767766 950867587 /nfs/dbraw/zinc/86/75/87/950867587.db2.gz QGULANXKFVECEK-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC1(C)C[C@H](O)CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC001575639426 950870637 /nfs/dbraw/zinc/87/06/37/950870637.db2.gz BKOAHHHIRJJCDN-ZDUSSCGKSA-N -1 3 382.428 0.868 20 0 GCADHM CC1(C)C[C@H](O)CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC001575639426 950870657 /nfs/dbraw/zinc/87/06/57/950870657.db2.gz BKOAHHHIRJJCDN-ZDUSSCGKSA-N -1 3 382.428 0.868 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001575011950 950874258 /nfs/dbraw/zinc/87/42/58/950874258.db2.gz UJORQRLXAOQDRD-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001575011950 950874285 /nfs/dbraw/zinc/87/42/85/950874285.db2.gz UJORQRLXAOQDRD-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM CC(C)(C)n1nnc(CC(=O)Nc2ncc3c(c2-c2nnn[n-]2)COCC3)n1 ZINC001573893378 950879108 /nfs/dbraw/zinc/87/91/08/950879108.db2.gz CIQMETQCWRYONC-UHFFFAOYSA-N -1 3 384.404 0.257 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nc(CC2CC2)no1 ZINC001575012110 950879980 /nfs/dbraw/zinc/87/99/80/950879980.db2.gz WNRYOJOCJFMTIL-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nc(CC2CC2)no1 ZINC001575012110 950879996 /nfs/dbraw/zinc/87/99/96/950879996.db2.gz WNRYOJOCJFMTIL-SNVBAGLBSA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)(C)n1ncnc1CN[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573893340 950880235 /nfs/dbraw/zinc/88/02/35/950880235.db2.gz APBCKACIOCRWNN-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576226760 950886714 /nfs/dbraw/zinc/88/67/14/950886714.db2.gz ANQDBYYSUMLCMI-ZWNOBZJWSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576226760 950886732 /nfs/dbraw/zinc/88/67/32/950886732.db2.gz ANQDBYYSUMLCMI-ZWNOBZJWSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)(C)n1nnc(CNS(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)n1 ZINC001573893548 950888574 /nfs/dbraw/zinc/88/85/74/950888574.db2.gz KLRJRFYYCCDMTI-UHFFFAOYSA-N -1 3 383.463 0.289 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1conc1C1CC1 ZINC001575012549 950891285 /nfs/dbraw/zinc/89/12/85/950891285.db2.gz ZNZIDMOCJBEDJP-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1conc1C1CC1 ZINC001575012549 950891293 /nfs/dbraw/zinc/89/12/93/950891293.db2.gz ZNZIDMOCJBEDJP-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001575014061 950892475 /nfs/dbraw/zinc/89/24/75/950892475.db2.gz CRASOMRTCDBRCY-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1[nH]cnc1C(C)(C)C ZINC001575014061 950892484 /nfs/dbraw/zinc/89/24/84/950892484.db2.gz CRASOMRTCDBRCY-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001575013649 950894844 /nfs/dbraw/zinc/89/48/44/950894844.db2.gz BPUCFIKYARYQBA-CMPLNLGQSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1Cc2cccnc2C1 ZINC001575013649 950894857 /nfs/dbraw/zinc/89/48/57/950894857.db2.gz BPUCFIKYARYQBA-CMPLNLGQSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1csc(=O)[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574527583 950895931 /nfs/dbraw/zinc/89/59/31/950895931.db2.gz DQQOSWNVKLTQQN-YUMQZZPRSA-N -1 3 390.429 0.684 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001573893721 950898566 /nfs/dbraw/zinc/89/85/66/950898566.db2.gz SVBFFICFXJZVFK-NSHDSACASA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001573893721 950898578 /nfs/dbraw/zinc/89/85/78/950898578.db2.gz SVBFFICFXJZVFK-NSHDSACASA-N -1 3 382.432 0.617 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cccc(F)c1F ZINC001575014458 950905239 /nfs/dbraw/zinc/90/52/39/950905239.db2.gz GCKPBHVAOBBMGF-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cccc(F)c1F ZINC001575014458 950905251 /nfs/dbraw/zinc/90/52/51/950905251.db2.gz GCKPBHVAOBBMGF-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575014688 950907548 /nfs/dbraw/zinc/90/75/48/950907548.db2.gz HZNZZNDAXCWSQP-RNCFNFMXSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575014688 950907552 /nfs/dbraw/zinc/90/75/52/950907552.db2.gz HZNZZNDAXCWSQP-RNCFNFMXSA-N -1 3 383.387 0.908 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2n(n1)CCCC2 ZINC001575014582 950907649 /nfs/dbraw/zinc/90/76/49/950907649.db2.gz HISKJZMXQSFGFS-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2n(n1)CCCC2 ZINC001575014582 950907662 /nfs/dbraw/zinc/90/76/62/950907662.db2.gz HISKJZMXQSFGFS-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001573893882 950908903 /nfs/dbraw/zinc/90/89/03/950908903.db2.gz AHEZZJFACYUXTE-LBPRGKRZSA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001573893882 950908924 /nfs/dbraw/zinc/90/89/24/950908924.db2.gz AHEZZJFACYUXTE-LBPRGKRZSA-N -1 3 382.432 0.935 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccccc1N(C)C ZINC001575014658 950909728 /nfs/dbraw/zinc/90/97/28/950909728.db2.gz HQVFQUBBXJHNMT-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccccc1N(C)C ZINC001575014658 950909738 /nfs/dbraw/zinc/90/97/38/950909738.db2.gz HQVFQUBBXJHNMT-NSHDSACASA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1(C2CC2)CCOCC1 ZINC001575014940 950915227 /nfs/dbraw/zinc/91/52/27/950915227.db2.gz JWTBBEPOQQFNMO-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1(C2CC2)CCOCC1 ZINC001575014940 950915242 /nfs/dbraw/zinc/91/52/42/950915242.db2.gz JWTBBEPOQQFNMO-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCc1ccncc1 ZINC001575014777 950915932 /nfs/dbraw/zinc/91/59/32/950915932.db2.gz JAJAZHCUYIOMLH-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCc1ccncc1 ZINC001575014777 950915951 /nfs/dbraw/zinc/91/59/51/950915951.db2.gz JAJAZHCUYIOMLH-NSHDSACASA-N -1 3 384.400 0.041 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001573894031 950918782 /nfs/dbraw/zinc/91/87/82/950918782.db2.gz JMNXUKRCNDLUMJ-LBPRGKRZSA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001573894031 950918796 /nfs/dbraw/zinc/91/87/96/950918796.db2.gz JMNXUKRCNDLUMJ-LBPRGKRZSA-N -1 3 382.432 0.935 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COc1ccc(F)cc1 ZINC001575014985 950920204 /nfs/dbraw/zinc/92/02/04/950920204.db2.gz KVTWLPSUCDJDSE-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COc1ccc(F)cc1 ZINC001575014985 950920218 /nfs/dbraw/zinc/92/02/18/950920218.db2.gz KVTWLPSUCDJDSE-SNVBAGLBSA-N -1 3 387.375 0.647 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001573894432 950927528 /nfs/dbraw/zinc/92/75/28/950927528.db2.gz RQFXTFHHINXVQZ-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001573894432 950927547 /nfs/dbraw/zinc/92/75/47/950927547.db2.gz RQFXTFHHINXVQZ-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1cc(CNC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)nn1 ZINC001573894668 950931882 /nfs/dbraw/zinc/93/18/82/950931882.db2.gz XCAFYHGONCGAFX-UHFFFAOYSA-N -1 3 384.448 0.594 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575937133 950937969 /nfs/dbraw/zinc/93/79/69/950937969.db2.gz CLKNCWUHDVVKRH-NWDGAFQWSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575937133 950937992 /nfs/dbraw/zinc/93/79/92/950937992.db2.gz CLKNCWUHDVVKRH-NWDGAFQWSA-N -1 3 375.433 0.540 20 0 GCADHM CC(C)(CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573895403 950939096 /nfs/dbraw/zinc/93/90/96/950939096.db2.gz AEYZGTHOMWIPSG-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573895403 950939107 /nfs/dbraw/zinc/93/91/07/950939107.db2.gz AEYZGTHOMWIPSG-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575937356 950948480 /nfs/dbraw/zinc/94/84/80/950948480.db2.gz DYNGZWIWMYYDSX-CHWSQXEVSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575937356 950948498 /nfs/dbraw/zinc/94/84/98/950948498.db2.gz DYNGZWIWMYYDSX-CHWSQXEVSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575015770 950950038 /nfs/dbraw/zinc/95/00/38/950950038.db2.gz WESOOISNTSDJHF-VHSXEESVSA-N -1 3 383.416 0.273 20 0 GCADHM CC1CC(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575937916 950959396 /nfs/dbraw/zinc/95/93/96/950959396.db2.gz HIXBBEYLYZNVNY-GCZXYKMCSA-N -1 3 375.433 0.132 20 0 GCADHM CC1CC(C(=O)N(C)C[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575937916 950959414 /nfs/dbraw/zinc/95/94/14/950959414.db2.gz HIXBBEYLYZNVNY-GCZXYKMCSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1ncc[nH]1 ZINC001574529841 950960870 /nfs/dbraw/zinc/96/08/70/950960870.db2.gz AQBIOAHSOJTXIL-MNOVXSKESA-N -1 3 385.432 0.564 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1ncc[nH]1 ZINC001574529841 950960889 /nfs/dbraw/zinc/96/08/89/950960889.db2.gz AQBIOAHSOJTXIL-MNOVXSKESA-N -1 3 385.432 0.564 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573897447 950961934 /nfs/dbraw/zinc/96/19/34/950961934.db2.gz PNDYHPFKJARENS-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573897447 950961948 /nfs/dbraw/zinc/96/19/48/950961948.db2.gz PNDYHPFKJARENS-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001575643264 950964326 /nfs/dbraw/zinc/96/43/26/950964326.db2.gz LBCJYYMSRQJRKW-RYUDHWBXSA-N -1 3 385.428 0.341 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001575643264 950964346 /nfs/dbraw/zinc/96/43/46/950964346.db2.gz LBCJYYMSRQJRKW-RYUDHWBXSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001575016889 950964904 /nfs/dbraw/zinc/96/49/04/950964904.db2.gz CDFSVPBPCTZPKC-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001575016889 950964952 /nfs/dbraw/zinc/96/49/52/950964952.db2.gz CDFSVPBPCTZPKC-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)Cc1cnn(C)c1 ZINC001574772327 950966067 /nfs/dbraw/zinc/96/60/67/950966067.db2.gz RLIQNLSNOBFGSD-LBPRGKRZSA-N -1 3 386.435 0.919 20 0 GCADHM C[C@@H]1[C@@H](Nc2snc(Cl)c2-c2nnn[n-]2)CCN1C(=O)c1nc[nH]n1 ZINC001575937996 950967565 /nfs/dbraw/zinc/96/75/65/950967565.db2.gz IEPHXYYYBANKNC-RITPCOANSA-N -1 3 380.825 0.810 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575643535 950971845 /nfs/dbraw/zinc/97/18/45/950971845.db2.gz MUSBKKPOBIGGDR-STQMWFEESA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575643535 950971868 /nfs/dbraw/zinc/97/18/68/950971868.db2.gz MUSBKKPOBIGGDR-STQMWFEESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cncs1 ZINC001574530233 950975876 /nfs/dbraw/zinc/97/58/76/950975876.db2.gz BBRUCIAQODGQQP-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cncs1 ZINC001574530233 950975898 /nfs/dbraw/zinc/97/58/98/950975898.db2.gz BBRUCIAQODGQQP-NXEZZACHSA-N -1 3 388.457 0.907 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573899510 950979749 /nfs/dbraw/zinc/97/97/49/950979749.db2.gz BIXQBTRXHIASLD-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM CC(C)(CC(F)F)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573899510 950979760 /nfs/dbraw/zinc/97/97/60/950979760.db2.gz BIXQBTRXHIASLD-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1snnc1C1CC1 ZINC001575017204 950981834 /nfs/dbraw/zinc/98/18/34/950981834.db2.gz HRSPTIQOZATRNW-ZETCQYMHSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1snnc1C1CC1 ZINC001575017204 950981848 /nfs/dbraw/zinc/98/18/48/950981848.db2.gz HRSPTIQOZATRNW-ZETCQYMHSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)CCn1cnnn1 ZINC001574773659 950989263 /nfs/dbraw/zinc/98/92/63/950989263.db2.gz XRXWZPDWOLJDII-NSHDSACASA-N -1 3 388.411 0.019 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575644578 950991422 /nfs/dbraw/zinc/99/14/22/950991422.db2.gz WBTLIKFZEYNMAU-GFCCVEGCSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575644578 950991436 /nfs/dbraw/zinc/99/14/36/950991436.db2.gz WBTLIKFZEYNMAU-GFCCVEGCSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575644863 950997054 /nfs/dbraw/zinc/99/70/54/950997054.db2.gz YKYORLWJECUVKF-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575644863 950997074 /nfs/dbraw/zinc/99/70/74/950997074.db2.gz YKYORLWJECUVKF-NWDGAFQWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1n[nH]cc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574530828 951002453 /nfs/dbraw/zinc/00/24/53/951002453.db2.gz XOPGWQOLOKEFHI-SFYZADRCSA-N -1 3 375.368 0.384 20 0 GCADHM C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576230342 951002770 /nfs/dbraw/zinc/00/27/70/951002770.db2.gz BQJRHCIYQMMZAF-DGCLKSJQSA-N -1 3 385.428 0.713 20 0 GCADHM C[C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576230342 951002792 /nfs/dbraw/zinc/00/27/92/951002792.db2.gz BQJRHCIYQMMZAF-DGCLKSJQSA-N -1 3 385.428 0.713 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnnc2ccccc21 ZINC001575018888 951029088 /nfs/dbraw/zinc/02/90/88/951029088.db2.gz RJYWVRKBEGSQBE-JTQLQIEISA-N -1 3 391.395 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnnc2ccccc21 ZINC001575018888 951029101 /nfs/dbraw/zinc/02/91/01/951029101.db2.gz RJYWVRKBEGSQBE-JTQLQIEISA-N -1 3 391.395 0.686 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ncccc1-c1nnn[n-]1 ZINC001575019739 951043744 /nfs/dbraw/zinc/04/37/44/951043744.db2.gz VICZKFNWOZZFQD-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ncccc1-c1nn[n-]n1 ZINC001575019739 951043758 /nfs/dbraw/zinc/04/37/58/951043758.db2.gz VICZKFNWOZZFQD-NSHDSACASA-N -1 3 380.412 0.839 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1onc2c1CCCC2 ZINC001575019734 951044044 /nfs/dbraw/zinc/04/40/44/951044044.db2.gz VIOCEAHVODDILL-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1onc2c1CCCC2 ZINC001575019734 951044058 /nfs/dbraw/zinc/04/40/58/951044058.db2.gz VIOCEAHVODDILL-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ncccc1-c1nnn[n-]1 ZINC001575021592 951062518 /nfs/dbraw/zinc/06/25/18/951062518.db2.gz DLNGJDPKBYVZMD-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ncccc1-c1nn[n-]n1 ZINC001575021592 951062528 /nfs/dbraw/zinc/06/25/28/951062528.db2.gz DLNGJDPKBYVZMD-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575024191 951094241 /nfs/dbraw/zinc/09/42/41/951094241.db2.gz XOWJNDINXDCSLC-SECBINFHSA-N -1 3 386.441 0.900 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575024191 951094257 /nfs/dbraw/zinc/09/42/57/951094257.db2.gz XOWJNDINXDCSLC-SECBINFHSA-N -1 3 386.441 0.900 20 0 GCADHM C[C@H](CNC(=O)c1ccc(Cl)[nH]1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575024282 951098028 /nfs/dbraw/zinc/09/80/28/951098028.db2.gz ZRYIFKAODCCWTK-QMMMGPOBSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@H](CNC(=O)c1ccc(Cl)[nH]1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575024282 951098042 /nfs/dbraw/zinc/09/80/42/951098042.db2.gz ZRYIFKAODCCWTK-QMMMGPOBSA-N -1 3 376.808 0.972 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575024652 951108938 /nfs/dbraw/zinc/10/89/38/951108938.db2.gz JZKNGXVZDWYZQD-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575024652 951108944 /nfs/dbraw/zinc/10/89/44/951108944.db2.gz JZKNGXVZDWYZQD-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575024863 951118106 /nfs/dbraw/zinc/11/81/06/951118106.db2.gz OLSORRDWOAUFLV-JTQLQIEISA-N -1 3 381.396 0.773 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575024863 951118115 /nfs/dbraw/zinc/11/81/15/951118115.db2.gz OLSORRDWOAUFLV-JTQLQIEISA-N -1 3 381.396 0.773 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(c1)nnn2C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575024861 951118587 /nfs/dbraw/zinc/11/85/87/951118587.db2.gz OHZJSDGSHOWTLK-JTQLQIEISA-N -1 3 378.400 0.774 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(c1)nnn2C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575024861 951118592 /nfs/dbraw/zinc/11/85/92/951118592.db2.gz OHZJSDGSHOWTLK-JTQLQIEISA-N -1 3 378.400 0.774 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ncccc1-c1nnn[n-]1 ZINC001575025153 951128424 /nfs/dbraw/zinc/12/84/24/951128424.db2.gz WEWZCVYPTGXPRJ-JTQLQIEISA-N -1 3 382.384 0.658 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ncccc1-c1nn[n-]n1 ZINC001575025153 951128429 /nfs/dbraw/zinc/12/84/29/951128429.db2.gz WEWZCVYPTGXPRJ-JTQLQIEISA-N -1 3 382.384 0.658 20 0 GCADHM C[C@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)Nc1ncccc1-c1nnn[n-]1 ZINC001575025939 951136782 /nfs/dbraw/zinc/13/67/82/951136782.db2.gz CYWPXPMUIRACHS-SECBINFHSA-N -1 3 380.372 0.240 20 0 GCADHM C[C@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)Nc1ncccc1-c1nn[n-]n1 ZINC001575025939 951136790 /nfs/dbraw/zinc/13/67/90/951136790.db2.gz CYWPXPMUIRACHS-SECBINFHSA-N -1 3 380.372 0.240 20 0 GCADHM C[C@@H](CNC(=O)c1ccccc1-n1cnnn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575027195 951155019 /nfs/dbraw/zinc/15/50/19/951155019.db2.gz DBUPPNFWFZRPPT-NSHDSACASA-N -1 3 391.399 0.468 20 0 GCADHM C[C@@H](CNC(=O)c1ccccc1-n1cnnn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575027195 951155027 /nfs/dbraw/zinc/15/50/27/951155027.db2.gz DBUPPNFWFZRPPT-NSHDSACASA-N -1 3 391.399 0.468 20 0 GCADHM C[C@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575028245 951172584 /nfs/dbraw/zinc/17/25/84/951172584.db2.gz MUUHSIMQSPFDEA-SNVBAGLBSA-N -1 3 381.400 0.983 20 0 GCADHM C[C@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575028245 951172592 /nfs/dbraw/zinc/17/25/92/951172592.db2.gz MUUHSIMQSPFDEA-SNVBAGLBSA-N -1 3 381.400 0.983 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575031758 951203637 /nfs/dbraw/zinc/20/36/37/951203637.db2.gz IGKSXAXTMKVYTB-SECBINFHSA-N -1 3 384.375 0.730 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575031758 951203644 /nfs/dbraw/zinc/20/36/44/951203644.db2.gz IGKSXAXTMKVYTB-SECBINFHSA-N -1 3 384.375 0.730 20 0 GCADHM C[C@@](CNC(=O)c1ccns1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575033798 951229605 /nfs/dbraw/zinc/22/96/05/951229605.db2.gz BHXSTIKBDRASBV-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1ccns1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575033798 951229612 /nfs/dbraw/zinc/22/96/12/951229612.db2.gz BHXSTIKBDRASBV-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575034571 951251036 /nfs/dbraw/zinc/25/10/36/951251036.db2.gz NQWBUHLRQWVVEI-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575034571 951251047 /nfs/dbraw/zinc/25/10/47/951251047.db2.gz NQWBUHLRQWVVEI-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@](CNC(=O)c1ccnnc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575035335 951273335 /nfs/dbraw/zinc/27/33/35/951273335.db2.gz WWYFSKJPOUWHKM-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ccnnc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575035335 951273347 /nfs/dbraw/zinc/27/33/47/951273347.db2.gz WWYFSKJPOUWHKM-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575035589 951279482 /nfs/dbraw/zinc/27/94/82/951279482.db2.gz YTJVMXAFVXEBHS-VIFPVBQESA-N -1 3 379.384 0.382 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575035589 951279489 /nfs/dbraw/zinc/27/94/89/951279489.db2.gz YTJVMXAFVXEBHS-VIFPVBQESA-N -1 3 379.384 0.382 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ncccc1-c1nnn[n-]1 ZINC001575037905 951311520 /nfs/dbraw/zinc/31/15/20/951311520.db2.gz FLCYFFCUZFDSFM-SNVBAGLBSA-N -1 3 384.400 0.361 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ncccc1-c1nn[n-]n1 ZINC001575037905 951311531 /nfs/dbraw/zinc/31/15/31/951311531.db2.gz FLCYFFCUZFDSFM-SNVBAGLBSA-N -1 3 384.400 0.361 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001575039187 951330588 /nfs/dbraw/zinc/33/05/88/951330588.db2.gz OOIMTLOAOLOPBJ-JTQLQIEISA-N -1 3 386.420 0.163 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001575039187 951330602 /nfs/dbraw/zinc/33/06/02/951330602.db2.gz OOIMTLOAOLOPBJ-JTQLQIEISA-N -1 3 386.420 0.163 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575042720 951369011 /nfs/dbraw/zinc/36/90/11/951369011.db2.gz MNXROPNOIYKSHL-MRVPVSSYSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575042720 951369024 /nfs/dbraw/zinc/36/90/24/951369024.db2.gz MNXROPNOIYKSHL-MRVPVSSYSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575042655 951369995 /nfs/dbraw/zinc/36/99/95/951369995.db2.gz LUESOVRQEILBKD-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575042655 951370012 /nfs/dbraw/zinc/37/00/12/951370012.db2.gz LUESOVRQEILBKD-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575043073 951380882 /nfs/dbraw/zinc/38/08/82/951380882.db2.gz OCJMCNNIBJLSTK-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575043073 951380895 /nfs/dbraw/zinc/38/08/95/951380895.db2.gz OCJMCNNIBJLSTK-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575043360 951388474 /nfs/dbraw/zinc/38/84/74/951388474.db2.gz QZAPEIFFCUIAOJ-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575043360 951388488 /nfs/dbraw/zinc/38/84/88/951388488.db2.gz QZAPEIFFCUIAOJ-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575043975 951405972 /nfs/dbraw/zinc/40/59/72/951405972.db2.gz XLZQBFRVYFUWDN-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575043975 951405978 /nfs/dbraw/zinc/40/59/78/951405978.db2.gz XLZQBFRVYFUWDN-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCC2)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044277 951409671 /nfs/dbraw/zinc/40/96/71/951409671.db2.gz YLBLJPAVHOEDIZ-SNVBAGLBSA-N -1 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ZINC001575062865 951572790 /nfs/dbraw/zinc/57/27/90/951572790.db2.gz ZUKPOUHOPYIUKV-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1nnc2ccccc2n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575065816 951588761 /nfs/dbraw/zinc/58/87/61/951588761.db2.gz ITQNTCKRXIDEAC-SECBINFHSA-N -1 3 392.383 0.081 20 0 GCADHM C[C@H](CNC(=O)c1nnc2ccccc2n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575065816 951588766 /nfs/dbraw/zinc/58/87/66/951588766.db2.gz ITQNTCKRXIDEAC-SECBINFHSA-N -1 3 392.383 0.081 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575065913 951588817 /nfs/dbraw/zinc/58/88/17/951588817.db2.gz JFOONFOOJHZRJA-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C(F)F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575065913 951588824 /nfs/dbraw/zinc/58/88/24/951588824.db2.gz JFOONFOOJHZRJA-LURJTMIESA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@](CNC(=O)c1nccs1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575068114 951632546 /nfs/dbraw/zinc/63/25/46/951632546.db2.gz XUUOVXSNLXLOBI-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1nccs1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575068114 951632549 /nfs/dbraw/zinc/63/25/49/951632549.db2.gz XUUOVXSNLXLOBI-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1ncccn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575068312 951634559 /nfs/dbraw/zinc/63/45/59/951634559.db2.gz ZTLYCNWSRVWLJP-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ncccn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575068312 951634566 /nfs/dbraw/zinc/63/45/66/951634566.db2.gz ZTLYCNWSRVWLJP-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575068564 951636464 /nfs/dbraw/zinc/63/64/64/951636464.db2.gz AYHBBRCCYUXNEY-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575068564 951636471 /nfs/dbraw/zinc/63/64/71/951636471.db2.gz AYHBBRCCYUXNEY-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575069034 951640594 /nfs/dbraw/zinc/64/05/94/951640594.db2.gz FRLPWDWDCDVESJ-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1onc2c1CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575069034 951640599 /nfs/dbraw/zinc/64/05/99/951640599.db2.gz FRLPWDWDCDVESJ-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1sccc1CN(C)C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575069539 951643526 /nfs/dbraw/zinc/64/35/26/951643526.db2.gz JXAPRBJXDZIPDZ-JTQLQIEISA-N -1 3 387.473 0.432 20 0 GCADHM C[C@@H](CNC(=O)c1sccc1CN(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575069539 951643531 /nfs/dbraw/zinc/64/35/31/951643531.db2.gz JXAPRBJXDZIPDZ-JTQLQIEISA-N -1 3 387.473 0.432 20 0 GCADHM O=C([O-])CN1CC[C@@H](N[C@@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC001595079809 951669125 /nfs/dbraw/zinc/66/91/25/951669125.db2.gz TXQCDTCMUIIQTR-PBHICJAKSA-N -1 3 397.269 0.944 20 0 GCADHM C[C@@H](CNCc1nnn(C(C)(C)C)n1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575116230 951968045 /nfs/dbraw/zinc/96/80/45/951968045.db2.gz BLDRYXQLPLPMOX-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNCc1nnn(C(C)(C)C)n1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116230 951968050 /nfs/dbraw/zinc/96/80/50/951968050.db2.gz BLDRYXQLPLPMOX-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575116971 951976624 /nfs/dbraw/zinc/97/66/24/951976624.db2.gz JPKVUNJRIBHYDK-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575116971 951976628 /nfs/dbraw/zinc/97/66/28/951976628.db2.gz JPKVUNJRIBHYDK-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575117656 951979904 /nfs/dbraw/zinc/97/99/04/951979904.db2.gz OCSKIHCTMBBVNP-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM C[C@@H](CNCc1nc(CC2CC2)no1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575117656 951979913 /nfs/dbraw/zinc/97/99/13/951979913.db2.gz OCSKIHCTMBBVNP-JTQLQIEISA-N -1 3 385.432 0.781 20 0 GCADHM C[C@H](CNCc1nc(C(F)F)no1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575117658 951980148 /nfs/dbraw/zinc/98/01/48/951980148.db2.gz OCZNMIILVOXAEQ-SSDOTTSWSA-N -1 3 381.347 0.671 20 0 GCADHM C[C@@H](CNCc1ncnn1CCF)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575117699 951982669 /nfs/dbraw/zinc/98/26/69/951982669.db2.gz OTOPLUOQWMKZKC-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM C[C@H](CNCc1nnnn1C(C)(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575119383 951988909 /nfs/dbraw/zinc/98/89/09/951988909.db2.gz XSNRFUAZEUREFJ-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575122213 952002340 /nfs/dbraw/zinc/00/23/40/952002340.db2.gz KLIACGSBEFDYES-KBXCAEBGSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575122213 952002348 /nfs/dbraw/zinc/00/23/48/952002348.db2.gz KLIACGSBEFDYES-KBXCAEBGSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575123070 952009326 /nfs/dbraw/zinc/00/93/26/952009326.db2.gz OGKBTSAVKLUIED-JTQLQIEISA-N -1 3 381.462 0.344 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575123070 952009338 /nfs/dbraw/zinc/00/93/38/952009338.db2.gz OGKBTSAVKLUIED-JTQLQIEISA-N -1 3 381.462 0.344 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575123371 952011940 /nfs/dbraw/zinc/01/19/40/952011940.db2.gz CJNCNEAXKUJRBA-QGZVFWFLSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575123371 952011948 /nfs/dbraw/zinc/01/19/48/952011948.db2.gz CJNCNEAXKUJRBA-QGZVFWFLSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575124070 952022024 /nfs/dbraw/zinc/02/20/24/952022024.db2.gz FRJWWBGLHNQPJP-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575124070 952022036 /nfs/dbraw/zinc/02/20/36/952022036.db2.gz FRJWWBGLHNQPJP-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575124351 952030576 /nfs/dbraw/zinc/03/05/76/952030576.db2.gz HYLWPOLUTVKJEM-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575124351 952030583 /nfs/dbraw/zinc/03/05/83/952030583.db2.gz HYLWPOLUTVKJEM-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575125128 952037731 /nfs/dbraw/zinc/03/77/31/952037731.db2.gz XNUAHADEPUYGNX-OCCSQVGLSA-N -1 3 386.460 0.920 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575125128 952037741 /nfs/dbraw/zinc/03/77/41/952037741.db2.gz XNUAHADEPUYGNX-OCCSQVGLSA-N -1 3 386.460 0.920 20 0 GCADHM C[C@@H](CNc1cc(Cl)c(=O)[nH]n1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575125457 952043480 /nfs/dbraw/zinc/04/34/80/952043480.db2.gz YWFQLIWMXIGGMJ-ZETCQYMHSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@@H](CNc1cc(Cl)c(=O)[nH]n1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575125457 952043486 /nfs/dbraw/zinc/04/34/86/952043486.db2.gz YWFQLIWMXIGGMJ-ZETCQYMHSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575125990 952048522 /nfs/dbraw/zinc/04/85/22/952048522.db2.gz QKJFHMVYAOGFID-INIZCTEOSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001575125990 952048533 /nfs/dbraw/zinc/04/85/33/952048533.db2.gz QKJFHMVYAOGFID-INIZCTEOSA-N -1 3 391.457 0.003 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575125988 952049660 /nfs/dbraw/zinc/04/96/60/952049660.db2.gz QJNDMVZZONQTCX-QGZVFWFLSA-N -1 3 381.400 0.356 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001575125988 952049666 /nfs/dbraw/zinc/04/96/66/952049666.db2.gz QJNDMVZZONQTCX-QGZVFWFLSA-N -1 3 381.400 0.356 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575128250 952067427 /nfs/dbraw/zinc/06/74/27/952067427.db2.gz HDQBRYHTNKKGAM-DOMZBBRYSA-N -1 3 386.460 0.920 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575128250 952067439 /nfs/dbraw/zinc/06/74/39/952067439.db2.gz HDQBRYHTNKKGAM-DOMZBBRYSA-N -1 3 386.460 0.920 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)COCc1ccnn1C ZINC001575128681 952070189 /nfs/dbraw/zinc/07/01/89/952070189.db2.gz LXYAPMPISPTNDP-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)COCc1ccnn1C ZINC001575128681 952070198 /nfs/dbraw/zinc/07/01/98/952070198.db2.gz LXYAPMPISPTNDP-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575128876 952072619 /nfs/dbraw/zinc/07/26/19/952072619.db2.gz NTWRJCUSGOCUHO-KRWDZBQOSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575129526 952082654 /nfs/dbraw/zinc/08/26/54/952082654.db2.gz UTLRIGLPSUJKLD-GFCCVEGCSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575129526 952082659 /nfs/dbraw/zinc/08/26/59/952082659.db2.gz UTLRIGLPSUJKLD-GFCCVEGCSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575133293 952101504 /nfs/dbraw/zinc/10/15/04/952101504.db2.gz DJHXLVNXZKYOLG-KRWDZBQOSA-N -1 3 385.407 0.994 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575133293 952101511 /nfs/dbraw/zinc/10/15/11/952101511.db2.gz DJHXLVNXZKYOLG-KRWDZBQOSA-N -1 3 385.407 0.994 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575134714 952112690 /nfs/dbraw/zinc/11/26/90/952112690.db2.gz OLJPWPXBRWYFEM-QJPTWQEYSA-N -1 3 382.432 0.453 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575135229 952115571 /nfs/dbraw/zinc/11/55/71/952115571.db2.gz LHDVPQMAKVORSE-WDEREUQCSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575135229 952115575 /nfs/dbraw/zinc/11/55/75/952115575.db2.gz LHDVPQMAKVORSE-WDEREUQCSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001575137337 952137455 /nfs/dbraw/zinc/13/74/55/952137455.db2.gz WTDWPWMGUGDLRS-VHSXEESVSA-N -1 3 384.437 0.698 20 0 GCADHM C[C@H](C(=O)N(C)[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001575137337 952137458 /nfs/dbraw/zinc/13/74/58/952137458.db2.gz WTDWPWMGUGDLRS-VHSXEESVSA-N -1 3 384.437 0.698 20 0 GCADHM O=C([O-])[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001595168921 952216165 /nfs/dbraw/zinc/21/61/65/952216165.db2.gz CODBBAGYIYRUCY-IKGGRYGDSA-N -1 3 379.482 0.987 20 0 GCADHM C[C@](CNc1cncc(-c2nnn[n-]2)n1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575155074 952234427 /nfs/dbraw/zinc/23/44/27/952234427.db2.gz JZZYSBGCCDVJGM-QGZVFWFLSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@](CNc1cncc(-c2nn[n-]n2)n1)(NC(=O)CCc1c[nH]cn1)C1CC1 ZINC001575155074 952234434 /nfs/dbraw/zinc/23/44/34/952234434.db2.gz JZZYSBGCCDVJGM-QGZVFWFLSA-N -1 3 382.432 0.709 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575163328 952277131 /nfs/dbraw/zinc/27/71/31/952277131.db2.gz AKRNHRFTGAOAIR-ZYHUDNBSSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575163328 952277136 /nfs/dbraw/zinc/27/71/36/952277136.db2.gz AKRNHRFTGAOAIR-ZYHUDNBSSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CNC(=O)C1CC1 ZINC001575163524 952280856 /nfs/dbraw/zinc/28/08/56/952280856.db2.gz CIMINCKLYRRDCN-VIFPVBQESA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CNC(=O)C1CC1 ZINC001575163524 952280864 /nfs/dbraw/zinc/28/08/64/952280864.db2.gz CIMINCKLYRRDCN-VIFPVBQESA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575163996 952284747 /nfs/dbraw/zinc/28/47/47/952284747.db2.gz HDDBUTHLSKSQAK-GHMZBOCLSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575163996 952284753 /nfs/dbraw/zinc/28/47/53/952284753.db2.gz HDDBUTHLSKSQAK-GHMZBOCLSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCc1cn(C)nn1 ZINC001575164162 952289036 /nfs/dbraw/zinc/28/90/36/952289036.db2.gz IYXLZEWLJXLCQD-JTQLQIEISA-N -1 3 388.411 0.421 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCc1cn(C)nn1 ZINC001575164162 952289045 /nfs/dbraw/zinc/28/90/45/952289045.db2.gz IYXLZEWLJXLCQD-JTQLQIEISA-N -1 3 388.411 0.421 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575164424 952292774 /nfs/dbraw/zinc/29/27/74/952292774.db2.gz KTVZEZGTBOQLNR-INIZCTEOSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CCn1cnnn1)C1CC1 ZINC001575164424 952292783 /nfs/dbraw/zinc/29/27/83/952292783.db2.gz KTVZEZGTBOQLNR-INIZCTEOSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)Cn1ccccc1=O ZINC001575164664 952297626 /nfs/dbraw/zinc/29/76/26/952297626.db2.gz MSFUITYNBXXWIM-LLVKDONJSA-N -1 3 386.391 0.522 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)Cn1ccccc1=O ZINC001575164664 952297632 /nfs/dbraw/zinc/29/76/32/952297632.db2.gz MSFUITYNBXXWIM-LLVKDONJSA-N -1 3 386.391 0.522 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575164996 952301963 /nfs/dbraw/zinc/30/19/63/952301963.db2.gz QCNWQGJBDWKXBC-NXEZZACHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575164996 952301968 /nfs/dbraw/zinc/30/19/68/952301968.db2.gz QCNWQGJBDWKXBC-NXEZZACHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)Cn1cncn1 ZINC001575165058 952302625 /nfs/dbraw/zinc/30/26/25/952302625.db2.gz KBOANEVXTDEIDF-VIFPVBQESA-N -1 3 376.812 0.466 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)Cn1cncn1 ZINC001575165058 952302632 /nfs/dbraw/zinc/30/26/32/952302632.db2.gz KBOANEVXTDEIDF-VIFPVBQESA-N -1 3 376.812 0.466 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575165612 952312932 /nfs/dbraw/zinc/31/29/32/952312932.db2.gz UGNKEWUXCIIALS-SNVBAGLBSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575165612 952312939 /nfs/dbraw/zinc/31/29/39/952312939.db2.gz UGNKEWUXCIIALS-SNVBAGLBSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CN1CCCCC1=O ZINC001575165956 952318685 /nfs/dbraw/zinc/31/86/85/952318685.db2.gz XQHGJORQDBAYDZ-NSHDSACASA-N -1 3 390.423 0.672 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CN1CCCCC1=O ZINC001575165956 952318694 /nfs/dbraw/zinc/31/86/94/952318694.db2.gz XQHGJORQDBAYDZ-NSHDSACASA-N -1 3 390.423 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575166465 952326251 /nfs/dbraw/zinc/32/62/51/952326251.db2.gz WKJCKGGHYRUJKB-NXEZZACHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575166465 952326259 /nfs/dbraw/zinc/32/62/59/952326259.db2.gz WKJCKGGHYRUJKB-NXEZZACHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575166953 952329784 /nfs/dbraw/zinc/32/97/84/952329784.db2.gz AWWKRENOCNJCJO-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575166953 952329792 /nfs/dbraw/zinc/32/97/92/952329792.db2.gz AWWKRENOCNJCJO-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575174734 952377874 /nfs/dbraw/zinc/37/78/74/952377874.db2.gz RUVYCVLHKLDFDW-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cnn2c1OCCC2 ZINC001575174734 952377879 /nfs/dbraw/zinc/37/78/79/952377879.db2.gz RUVYCVLHKLDFDW-LLVKDONJSA-N -1 3 383.416 0.813 20 0 GCADHM CC(CO)(CO)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001575178404 952406005 /nfs/dbraw/zinc/40/60/05/952406005.db2.gz PLUYWCDWISLWNX-UHFFFAOYSA-N -1 3 385.222 0.742 20 0 GCADHM CC(CO)(CO)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001575178404 952406010 /nfs/dbraw/zinc/40/60/10/952406010.db2.gz PLUYWCDWISLWNX-UHFFFAOYSA-N -1 3 385.222 0.742 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575185288 952431825 /nfs/dbraw/zinc/43/18/25/952431825.db2.gz OWJQDOMFBYLSOY-IUODEOHRSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575185288 952431828 /nfs/dbraw/zinc/43/18/28/952431828.db2.gz OWJQDOMFBYLSOY-IUODEOHRSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001575185985 952436007 /nfs/dbraw/zinc/43/60/07/952436007.db2.gz XIPKYOJDJIHVHO-WFASDCNBSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001575185985 952436010 /nfs/dbraw/zinc/43/60/10/952436010.db2.gz XIPKYOJDJIHVHO-WFASDCNBSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001575185982 952436321 /nfs/dbraw/zinc/43/63/21/952436321.db2.gz XIPKYOJDJIHVHO-SWLSCSKDSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001575185982 952436326 /nfs/dbraw/zinc/43/63/26/952436326.db2.gz XIPKYOJDJIHVHO-SWLSCSKDSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccccc1-c1nnn[n-]1 ZINC001575186059 952437917 /nfs/dbraw/zinc/43/79/17/952437917.db2.gz YKBCRRSUYFATMR-GFCCVEGCSA-N -1 3 380.474 0.095 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)Cc1ccccc1-c1nn[n-]n1 ZINC001575186059 952437922 /nfs/dbraw/zinc/43/79/22/952437922.db2.gz YKBCRRSUYFATMR-GFCCVEGCSA-N -1 3 380.474 0.095 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575188536 952448995 /nfs/dbraw/zinc/44/89/95/952448995.db2.gz JGJSXQOCLRBTRK-VXGBXAGGSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575188536 952448999 /nfs/dbraw/zinc/44/89/99/952448999.db2.gz JGJSXQOCLRBTRK-VXGBXAGGSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001575189293 952454627 /nfs/dbraw/zinc/45/46/27/952454627.db2.gz NVSUBFJDZOQSCC-JMSVASOKSA-N -1 3 392.485 0.428 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001575189293 952454630 /nfs/dbraw/zinc/45/46/30/952454630.db2.gz NVSUBFJDZOQSCC-JMSVASOKSA-N -1 3 392.485 0.428 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@](C)(Cn1cccn1)C(N)=O ZINC001575190496 952462374 /nfs/dbraw/zinc/46/23/74/952462374.db2.gz SWTPYBIOBORBKO-XIKOKIGWSA-N -1 3 382.428 0.302 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@](C)(Cn1cccn1)C(N)=O ZINC001575190496 952462378 /nfs/dbraw/zinc/46/23/78/952462378.db2.gz SWTPYBIOBORBKO-XIKOKIGWSA-N -1 3 382.428 0.302 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CO)[C@H](O)c1ccccn1 ZINC001575191609 952468692 /nfs/dbraw/zinc/46/86/92/952468692.db2.gz YIYVCBXHJQXFLL-CSMYWGQOSA-N -1 3 382.424 0.651 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CO)[C@H](O)c1ccccn1 ZINC001575191609 952468695 /nfs/dbraw/zinc/46/86/95/952468695.db2.gz YIYVCBXHJQXFLL-CSMYWGQOSA-N -1 3 382.424 0.651 20 0 GCADHM CS(=O)(=O)N1CC[C@H](NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)C1 ZINC001571116613 952475812 /nfs/dbraw/zinc/47/58/12/952475812.db2.gz AKAVHEUNGXRMSZ-VIFPVBQESA-N -1 3 375.414 0.112 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001575196823 952477027 /nfs/dbraw/zinc/47/70/27/952477027.db2.gz JKVZTVAYMBPERC-GLQYFDAESA-N -1 3 383.412 0.399 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001575196823 952477030 /nfs/dbraw/zinc/47/70/30/952477030.db2.gz JKVZTVAYMBPERC-GLQYFDAESA-N -1 3 383.412 0.399 20 0 GCADHM Cc1nonc1CC(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571116833 952477801 /nfs/dbraw/zinc/47/78/01/952477801.db2.gz DHXWIZDUBGVZMX-DTORHVGOSA-N -1 3 375.418 0.625 20 0 GCADHM CN(C(=O)C[C@H]1CCOC1)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571117026 952479240 /nfs/dbraw/zinc/47/92/40/952479240.db2.gz GBIOCZRTHPDADW-DGCLKSJQSA-N -1 3 375.408 0.865 20 0 GCADHM CN(C(=O)C[C@H]1CCOC1)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571117026 952479243 /nfs/dbraw/zinc/47/92/43/952479243.db2.gz GBIOCZRTHPDADW-DGCLKSJQSA-N -1 3 375.408 0.865 20 0 GCADHM CC(C)[C@H](F)C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571117077 952479351 /nfs/dbraw/zinc/47/93/51/952479351.db2.gz GNRYHKPEBVTAEJ-ZDUSSCGKSA-N -1 3 375.408 0.863 20 0 GCADHM CC(C)[C@H](F)C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571117077 952479357 /nfs/dbraw/zinc/47/93/57/952479357.db2.gz GNRYHKPEBVTAEJ-ZDUSSCGKSA-N -1 3 375.408 0.863 20 0 GCADHM CO[C@@H](C)C(=O)N1CCCO[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571117107 952479532 /nfs/dbraw/zinc/47/95/32/952479532.db2.gz GVIQZOHRQDYIIP-STQMWFEESA-N -1 3 375.433 0.634 20 0 GCADHM CO[C@@H](C)C(=O)N1CCCO[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571117107 952479537 /nfs/dbraw/zinc/47/95/37/952479537.db2.gz GVIQZOHRQDYIIP-STQMWFEESA-N -1 3 375.433 0.634 20 0 GCADHM CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001571117636 952483362 /nfs/dbraw/zinc/48/33/62/952483362.db2.gz NZWZUUWFFKQPGY-MFKMUULPSA-N -1 3 375.433 0.323 20 0 GCADHM CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001571117636 952483364 /nfs/dbraw/zinc/48/33/64/952483364.db2.gz NZWZUUWFFKQPGY-MFKMUULPSA-N -1 3 375.433 0.323 20 0 GCADHM CCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001571117632 952483405 /nfs/dbraw/zinc/48/34/05/952483405.db2.gz NZWZUUWFFKQPGY-GWCFXTLKSA-N -1 3 375.433 0.323 20 0 GCADHM CCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001571117632 952483409 /nfs/dbraw/zinc/48/34/09/952483409.db2.gz NZWZUUWFFKQPGY-GWCFXTLKSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571117722 952484198 /nfs/dbraw/zinc/48/41/98/952484198.db2.gz PHCHMARAAYZIMK-ZLKJLUDKSA-N -1 3 375.408 0.862 20 0 GCADHM CC(C)[C@@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571117722 952484199 /nfs/dbraw/zinc/48/41/99/952484199.db2.gz PHCHMARAAYZIMK-ZLKJLUDKSA-N -1 3 375.408 0.862 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575197402 952484554 /nfs/dbraw/zinc/48/45/54/952484554.db2.gz VJMNLHVPADYDDX-VXGBXAGGSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575197402 952484557 /nfs/dbraw/zinc/48/45/57/952484557.db2.gz VJMNLHVPADYDDX-VXGBXAGGSA-N -1 3 383.412 0.997 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571118020 952485700 /nfs/dbraw/zinc/48/57/00/952485700.db2.gz RYDDRRSXERJVSZ-SJCJKPOMSA-N -1 3 375.408 0.784 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)[C@]3(F)CCOC3)C2)n1 ZINC001571118020 952485704 /nfs/dbraw/zinc/48/57/04/952485704.db2.gz RYDDRRSXERJVSZ-SJCJKPOMSA-N -1 3 375.408 0.784 20 0 GCADHM CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001571118056 952485794 /nfs/dbraw/zinc/48/57/94/952485794.db2.gz TVNNKSHNBSDTDS-SMDDNHRTSA-N -1 3 375.408 0.031 20 0 GCADHM CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001571118056 952485797 /nfs/dbraw/zinc/48/57/97/952485797.db2.gz TVNNKSHNBSDTDS-SMDDNHRTSA-N -1 3 375.408 0.031 20 0 GCADHM Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C2CCOCC2)c1-c1nnn[n-]1 ZINC001571118288 952487002 /nfs/dbraw/zinc/48/70/02/952487002.db2.gz 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C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575199265 952488553 /nfs/dbraw/zinc/48/85/53/952488553.db2.gz BDJOFYMZXRPPAE-DOMZBBRYSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575199265 952488560 /nfs/dbraw/zinc/48/85/60/952488560.db2.gz BDJOFYMZXRPPAE-DOMZBBRYSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575199972 952491070 /nfs/dbraw/zinc/49/10/70/952491070.db2.gz GJWMQLMMQYKAQS-NWDGAFQWSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575199972 952491074 /nfs/dbraw/zinc/49/10/74/952491074.db2.gz GJWMQLMMQYKAQS-NWDGAFQWSA-N -1 3 382.432 0.344 20 0 GCADHM O=C(NC[C@@H]1CCN1CCn1cc(Cl)cn1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571119419 952491373 /nfs/dbraw/zinc/49/13/73/952491373.db2.gz AOISTXOQXRROOZ-LBPRGKRZSA-N -1 3 375.824 0.549 20 0 GCADHM O=C(NC[C@@H]1CCN1CCn1cc(Cl)cn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571119419 952491378 /nfs/dbraw/zinc/49/13/78/952491378.db2.gz AOISTXOQXRROOZ-LBPRGKRZSA-N -1 3 375.824 0.549 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200074 952492164 /nfs/dbraw/zinc/49/21/64/952492164.db2.gz HOACZIBEMGQGRI-NEPJUHHUSA-N -1 3 382.432 0.201 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200074 952492166 /nfs/dbraw/zinc/49/21/66/952492166.db2.gz HOACZIBEMGQGRI-NEPJUHHUSA-N -1 3 382.432 0.201 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200041 952493030 /nfs/dbraw/zinc/49/30/30/952493030.db2.gz GZWMLWIAQIEFGL-NEPJUHHUSA-N -1 3 382.432 0.201 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200193 952493104 /nfs/dbraw/zinc/49/31/04/952493104.db2.gz ABTUTSHBANRDOC-DGCLKSJQSA-N -1 3 382.432 0.296 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200193 952493106 /nfs/dbraw/zinc/49/31/06/952493106.db2.gz ABTUTSHBANRDOC-DGCLKSJQSA-N -1 3 382.432 0.296 20 0 GCADHM O=C(N[C@H](CO)[C@H](O)c1ccccn1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571119624 952493537 /nfs/dbraw/zinc/49/35/37/952493537.db2.gz DKCWLAYXEWUQLD-DGCLKSJQSA-N -1 3 375.776 0.134 20 0 GCADHM O=C(N[C@H](CO)[C@H](O)c1ccccn1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571119624 952493541 /nfs/dbraw/zinc/49/35/41/952493541.db2.gz DKCWLAYXEWUQLD-DGCLKSJQSA-N -1 3 375.776 0.134 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](CO)C[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC001571119747 952494246 /nfs/dbraw/zinc/49/42/46/952494246.db2.gz FJZJSNCCNLZKPP-CHWSQXEVSA-N -1 3 376.417 0.605 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](CO)C[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC001571119747 952494256 /nfs/dbraw/zinc/49/42/56/952494256.db2.gz FJZJSNCCNLZKPP-CHWSQXEVSA-N -1 3 376.417 0.605 20 0 GCADHM Cn1c(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)ccc1-c1nnn[n-]1 ZINC001571119831 952496047 /nfs/dbraw/zinc/49/60/47/952496047.db2.gz GJZJYFLPPCJRFO-UHFFFAOYSA-N -1 3 376.398 0.224 20 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ZINC001571120084 952498896 /nfs/dbraw/zinc/49/88/96/952498896.db2.gz JFFJHZUPBBUJSS-MRVPVSSYSA-N -1 3 376.402 0.955 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200983 952499670 /nfs/dbraw/zinc/49/96/70/952499670.db2.gz MFYPDBLWFAXFHQ-VOMCLLRMSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001575200857 952499676 /nfs/dbraw/zinc/49/96/76/952499676.db2.gz LYHPJTCNZONROD-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001575200857 952499679 /nfs/dbraw/zinc/49/96/79/952499679.db2.gz LYHPJTCNZONROD-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575201178 952501816 /nfs/dbraw/zinc/50/18/16/952501816.db2.gz NURIRPWVOHDSKT-WCQYABFASA-N -1 3 384.448 0.233 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575201178 952501821 /nfs/dbraw/zinc/50/18/21/952501821.db2.gz NURIRPWVOHDSKT-WCQYABFASA-N -1 3 384.448 0.233 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575201220 952502277 /nfs/dbraw/zinc/50/22/77/952502277.db2.gz OGFGMQUQZVXUPN-HZMBPMFUSA-N -1 3 382.432 0.565 20 0 GCADHM CN(C(=O)[C@H]1COCCO1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571120731 952508589 /nfs/dbraw/zinc/50/85/89/952508589.db2.gz PAWMJIWAJHLVKX-OAHLLOKOSA-N -1 3 376.392 0.064 20 0 GCADHM CN(C(=O)[C@H]1COCCO1)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571120731 952508595 /nfs/dbraw/zinc/50/85/95/952508595.db2.gz PAWMJIWAJHLVKX-OAHLLOKOSA-N -1 3 376.392 0.064 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001575202096 952510574 /nfs/dbraw/zinc/51/05/74/952510574.db2.gz NMAJLDSGMFFJRG-DRZSPHRISA-N -1 3 380.416 0.048 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001575202096 952510578 /nfs/dbraw/zinc/51/05/78/952510578.db2.gz NMAJLDSGMFFJRG-DRZSPHRISA-N -1 3 380.416 0.048 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575202195 952511392 /nfs/dbraw/zinc/51/13/92/952511392.db2.gz TVEXNMAJVLNHHD-WFASDCNBSA-N -1 3 382.428 0.854 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575202195 952511397 /nfs/dbraw/zinc/51/13/97/952511397.db2.gz TVEXNMAJVLNHHD-WFASDCNBSA-N -1 3 382.428 0.854 20 0 GCADHM COc1ccc(CCNS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)cc1O ZINC001571120900 952511758 /nfs/dbraw/zinc/51/17/58/952511758.db2.gz SWDHFIJVMWGODV-UHFFFAOYSA-N -1 3 376.398 0.497 20 0 GCADHM COc1ccc(CCNS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)cc1O ZINC001571120900 952511763 /nfs/dbraw/zinc/51/17/63/952511763.db2.gz SWDHFIJVMWGODV-UHFFFAOYSA-N -1 3 376.398 0.497 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575203116 952518292 /nfs/dbraw/zinc/51/82/92/952518292.db2.gz ZUAJNMNODMESQE-YPMHNXCESA-N -1 3 382.432 0.344 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(Cl)no2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571121919 952521624 /nfs/dbraw/zinc/52/16/24/952521624.db2.gz FANXSXQSQSCCPH-QMMMGPOBSA-N -1 3 376.764 0.481 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2cc(Cl)no2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571121919 952521631 /nfs/dbraw/zinc/52/16/31/952521631.db2.gz FANXSXQSQSCCPH-QMMMGPOBSA-N -1 3 376.764 0.481 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001571121924 952521930 /nfs/dbraw/zinc/52/19/30/952521930.db2.gz FDLBMGAPXMKNTP-MRXNPFEDSA-N -1 3 376.442 0.611 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001571121924 952521933 /nfs/dbraw/zinc/52/19/33/952521933.db2.gz FDLBMGAPXMKNTP-MRXNPFEDSA-N -1 3 376.442 0.611 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)C1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575203424 952521939 /nfs/dbraw/zinc/52/19/39/952521939.db2.gz WKUZXCQRJRNMGK-XSRFYTQQSA-N -1 3 382.432 0.660 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N(C)C1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575203424 952521943 /nfs/dbraw/zinc/52/19/43/952521943.db2.gz 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GCADHM C[C@H](Cn1cncn1)NC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001575206438 952529657 /nfs/dbraw/zinc/52/96/57/952529657.db2.gz JMKPAKLRNQJUAA-GFCCVEGCSA-N -1 3 393.415 0.913 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001575206438 952529664 /nfs/dbraw/zinc/52/96/64/952529664.db2.gz JMKPAKLRNQJUAA-GFCCVEGCSA-N -1 3 393.415 0.913 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571123470 952531290 /nfs/dbraw/zinc/53/12/90/952531290.db2.gz SJINVLBUGGHQLW-NXEZZACHSA-N -1 3 376.446 0.171 20 0 GCADHM C[C@](Cn1cccn1)(NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)C(N)=O ZINC001575207829 952534706 /nfs/dbraw/zinc/53/47/06/952534706.db2.gz SWHCRJTZCKQALX-QGZVFWFLSA-N -1 3 394.399 0.147 20 0 GCADHM C[C@](Cn1cccn1)(NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1)C(N)=O ZINC001575207829 952534712 /nfs/dbraw/zinc/53/47/12/952534712.db2.gz SWHCRJTZCKQALX-QGZVFWFLSA-N -1 3 394.399 0.147 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(C[C@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 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O=C(CO[C@@H]1CCOC1)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571142315 952640260 /nfs/dbraw/zinc/64/02/60/952640260.db2.gz OXWOZMWWXBDZSB-GFCCVEGCSA-N -1 3 378.458 0.378 20 0 GCADHM Cc1cc(C)cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)c1 ZINC001571142409 952642518 /nfs/dbraw/zinc/64/25/18/952642518.db2.gz UQZWLFWPGOTOSF-IAGOWNOFSA-N -1 3 379.424 0.858 20 0 GCADHM Cc1cc(C)cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)c1 ZINC001571142409 952642521 /nfs/dbraw/zinc/64/25/21/952642521.db2.gz UQZWLFWPGOTOSF-IAGOWNOFSA-N -1 3 379.424 0.858 20 0 GCADHM Cc1nsc(N[C@H]2C[C@H](NC(=O)[C@@H]3CN(C)CCO3)C2)c1-c1nnn[n-]1 ZINC001571142699 952645235 /nfs/dbraw/zinc/64/52/35/952645235.db2.gz VXLGYQWPANFVKH-DCAQKATOSA-N -1 3 378.462 0.021 20 0 GCADHM Cc1nsc(N[C@H]2C[C@H](NC(=O)[C@@H]3CN(C)CCO3)C2)c1-c1nn[n-]n1 ZINC001571142699 952645239 /nfs/dbraw/zinc/64/52/39/952645239.db2.gz VXLGYQWPANFVKH-DCAQKATOSA-N -1 3 378.462 0.021 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCc2cncn2C1 ZINC001571146096 952646785 /nfs/dbraw/zinc/64/67/85/952646785.db2.gz CMSGYRGPGJBOJI-UPJWGTAASA-N -1 3 379.428 0.780 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCc2cncn2C1 ZINC001571146096 952646787 /nfs/dbraw/zinc/64/67/87/952646787.db2.gz CMSGYRGPGJBOJI-UPJWGTAASA-N -1 3 379.428 0.780 20 0 GCADHM Cn1cc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]3C2)cn1 ZINC001571146263 952648338 /nfs/dbraw/zinc/64/83/38/952648338.db2.gz FHRDNSAGNSMZPS-HIFRSBDPSA-N -1 3 379.428 0.594 20 0 GCADHM Cn1cc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)cn1 ZINC001571146263 952648341 /nfs/dbraw/zinc/64/83/41/952648341.db2.gz FHRDNSAGNSMZPS-HIFRSBDPSA-N -1 3 379.428 0.594 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571146301 952649000 /nfs/dbraw/zinc/64/90/00/952649000.db2.gz FUOACPYLQYGJTJ-UKRRQHHQSA-N -1 3 379.428 0.655 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c(C2CC2)n1 ZINC001571146322 952649385 /nfs/dbraw/zinc/64/93/85/952649385.db2.gz GBQZWNUUMYYYKB-ZDUSSCGKSA-N -1 3 379.428 0.881 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c(C2CC2)n1 ZINC001571146322 952649388 /nfs/dbraw/zinc/64/93/88/952649388.db2.gz GBQZWNUUMYYYKB-ZDUSSCGKSA-N -1 3 379.428 0.881 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2cncn2C1 ZINC001571146547 952650390 /nfs/dbraw/zinc/65/03/90/952650390.db2.gz IGGWIEHLBOSXNH-KGLIPLIRSA-N -1 3 379.428 0.416 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2cncn2C1 ZINC001571146547 952650392 /nfs/dbraw/zinc/65/03/92/952650392.db2.gz IGGWIEHLBOSXNH-KGLIPLIRSA-N -1 3 379.428 0.416 20 0 GCADHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571146640 952651218 /nfs/dbraw/zinc/65/12/18/952651218.db2.gz KQLDZVUIIVIMTN-BFHYXJOUSA-N -1 3 379.428 0.812 20 0 GCADHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571146640 952651222 /nfs/dbraw/zinc/65/12/22/952651222.db2.gz KQLDZVUIIVIMTN-BFHYXJOUSA-N -1 3 379.428 0.812 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1 ZINC001571146758 952652124 /nfs/dbraw/zinc/65/21/24/952652124.db2.gz BFJUXDKENCPMTP-LBPRGKRZSA-N -1 3 379.428 0.755 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1 ZINC001571146758 952652126 /nfs/dbraw/zinc/65/21/26/952652126.db2.gz BFJUXDKENCPMTP-LBPRGKRZSA-N -1 3 379.428 0.755 20 0 GCADHM Cn1cncc1CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571146738 952652288 /nfs/dbraw/zinc/65/22/88/952652288.db2.gz MGZAGODTNZSLAN-DZGCQCFKSA-N -1 3 379.428 0.275 20 0 GCADHM Cn1cncc1CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571146738 952652291 /nfs/dbraw/zinc/65/22/91/952652291.db2.gz MGZAGODTNZSLAN-DZGCQCFKSA-N -1 3 379.428 0.275 20 0 GCADHM Cc1nnccc1C(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571146730 952652409 /nfs/dbraw/zinc/65/24/09/952652409.db2.gz MBMPVHDIROQPQB-CYBMUJFWSA-N -1 3 379.428 0.959 20 0 GCADHM Cc1nnccc1C(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571146730 952652412 /nfs/dbraw/zinc/65/24/12/952652412.db2.gz MBMPVHDIROQPQB-CYBMUJFWSA-N -1 3 379.428 0.959 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn2c1CCC2 ZINC001571146718 952652566 /nfs/dbraw/zinc/65/25/66/952652566.db2.gz LVEYRVGERFSYKJ-CYBMUJFWSA-N -1 3 379.428 0.803 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn2c1CCC2 ZINC001571146718 952652568 /nfs/dbraw/zinc/65/25/68/952652568.db2.gz LVEYRVGERFSYKJ-CYBMUJFWSA-N -1 3 379.428 0.803 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC001571146870 952654603 /nfs/dbraw/zinc/65/46/03/952654603.db2.gz OKPSRBOWIISBGT-WCQYABFASA-N -1 3 379.428 0.485 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC001571146870 952654607 /nfs/dbraw/zinc/65/46/07/952654607.db2.gz OKPSRBOWIISBGT-WCQYABFASA-N -1 3 379.428 0.485 20 0 GCADHM O=C(Cc1ncc[nH]1)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571147012 952655244 /nfs/dbraw/zinc/65/52/44/952655244.db2.gz PQXLFPUNQGRCDT-CQSZACIVSA-N -1 3 379.428 0.703 20 0 GCADHM O=C(Cc1ncc[nH]1)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571147012 952655249 /nfs/dbraw/zinc/65/52/49/952655249.db2.gz PQXLFPUNQGRCDT-CQSZACIVSA-N -1 3 379.428 0.703 20 0 GCADHM O=C(Cn1cccn1)N1CC[C@@H]2[C@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001571147033 952656737 /nfs/dbraw/zinc/65/67/37/952656737.db2.gz QOMDGAZUQBQRJM-UKRRQHHQSA-N -1 3 379.428 0.586 20 0 GCADHM O=C(Cn1cccn1)N1CC[C@@H]2[C@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001571147033 952656741 /nfs/dbraw/zinc/65/67/41/952656741.db2.gz QOMDGAZUQBQRJM-UKRRQHHQSA-N -1 3 379.428 0.586 20 0 GCADHM Cc1nccnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571147243 952658609 /nfs/dbraw/zinc/65/86/09/952658609.db2.gz VCICHWKOGUVVGC-WWGRRREGSA-N -1 3 379.428 0.829 20 0 GCADHM Cc1nccnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571147243 952658611 /nfs/dbraw/zinc/65/86/11/952658611.db2.gz VCICHWKOGUVVGC-WWGRRREGSA-N -1 3 379.428 0.829 20 0 GCADHM Cc1nccnc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571147213 952658989 /nfs/dbraw/zinc/65/89/89/952658989.db2.gz TUWWKZFXJAVCDI-BETUJISGSA-N -1 3 379.428 0.782 20 0 GCADHM Cc1nccnc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571147213 952658992 /nfs/dbraw/zinc/65/89/92/952658992.db2.gz TUWWKZFXJAVCDI-BETUJISGSA-N -1 3 379.428 0.782 20 0 GCADHM Cn1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nnn[n-]2)n1 ZINC001571147454 952661618 /nfs/dbraw/zinc/66/16/18/952661618.db2.gz YPDNWFBICXJAEV-SNPRPXQTSA-N -1 3 379.428 0.464 20 0 GCADHM Cn1ccc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2-c2nn[n-]n2)n1 ZINC001571147454 952661622 /nfs/dbraw/zinc/66/16/22/952661622.db2.gz YPDNWFBICXJAEV-SNPRPXQTSA-N -1 3 379.428 0.464 20 0 GCADHM CN(C)c1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)ccn1 ZINC001571147971 952664715 /nfs/dbraw/zinc/66/47/15/952664715.db2.gz SFNRHGKYZUZGOV-CYBMUJFWSA-N -1 3 379.428 0.731 20 0 GCADHM CN(C)c1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)ccn1 ZINC001571147971 952664719 /nfs/dbraw/zinc/66/47/19/952664719.db2.gz SFNRHGKYZUZGOV-CYBMUJFWSA-N -1 3 379.428 0.731 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)nn1C ZINC001571148090 952665272 /nfs/dbraw/zinc/66/52/72/952665272.db2.gz UWOBGCGLQFVIOO-VIKVFOODSA-N -1 3 379.428 0.422 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)nn1C ZINC001571148090 952665273 /nfs/dbraw/zinc/66/52/73/952665273.db2.gz UWOBGCGLQFVIOO-VIKVFOODSA-N -1 3 379.428 0.422 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571148307 952666461 /nfs/dbraw/zinc/66/64/61/952666461.db2.gz YFEMJLBBBRVEGX-WBMJQRKESA-N -1 3 379.428 0.943 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571148307 952666464 /nfs/dbraw/zinc/66/64/64/952666464.db2.gz YFEMJLBBBRVEGX-WBMJQRKESA-N -1 3 379.428 0.943 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001571150443 952668230 /nfs/dbraw/zinc/66/82/30/952668230.db2.gz ARJPOHPKOZDILU-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001571150443 952668232 /nfs/dbraw/zinc/66/82/32/952668232.db2.gz ARJPOHPKOZDILU-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM O=C(c1cn2c(n1)CCC2)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571151100 952672116 /nfs/dbraw/zinc/67/21/16/952672116.db2.gz LMDMRUYUEDFGIG-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM O=C(c1cn2c(n1)CCC2)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571151100 952672122 /nfs/dbraw/zinc/67/21/22/952672122.db2.gz LMDMRUYUEDFGIG-UHFFFAOYSA-N -1 3 379.428 0.757 20 0 GCADHM Cc1nsc(N[C@H]2C[C@H](CNC(=O)[C@@H]3COCCO3)C2)c1-c1nnn[n-]1 ZINC001571151147 952673160 /nfs/dbraw/zinc/67/31/60/952673160.db2.gz MMOFVMALMMARQL-DCAQKATOSA-N -1 3 379.446 0.354 20 0 GCADHM O=S(=O)(CCN1CCO[C@@H]2COCC[C@@H]21)c1cccc(-c2nnn[n-]2)c1 ZINC001571151760 952678221 /nfs/dbraw/zinc/67/82/21/952678221.db2.gz WQEQPBUGCLKBTI-LSDHHAIUSA-N -1 3 379.442 0.130 20 0 GCADHM O=S(=O)(CCN1CCO[C@@H]2COCC[C@@H]21)c1cccc(-c2nn[n-]n2)c1 ZINC001571151760 952678228 /nfs/dbraw/zinc/67/82/28/952678228.db2.gz WQEQPBUGCLKBTI-LSDHHAIUSA-N -1 3 379.442 0.130 20 0 GCADHM Cc1cc(NC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)cc(-c2nnn[n-]2)c1 ZINC001571151839 952679280 /nfs/dbraw/zinc/67/92/80/952679280.db2.gz YQWZDCKDNAMYEN-NSHDSACASA-N -1 3 379.446 0.578 20 0 GCADHM Cc1cc(NC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)cc(-c2nn[n-]n2)c1 ZINC001571151839 952679285 /nfs/dbraw/zinc/67/92/85/952679285.db2.gz YQWZDCKDNAMYEN-NSHDSACASA-N -1 3 379.446 0.578 20 0 GCADHM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001571152913 952683807 /nfs/dbraw/zinc/68/38/07/952683807.db2.gz KYBTZYGXMSLDFQ-JOYOIKCWSA-N -1 3 380.336 0.466 20 0 GCADHM COC(=O)[C@@H]1OCC[C@@H]1NC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001571152913 952683812 /nfs/dbraw/zinc/68/38/12/952683812.db2.gz KYBTZYGXMSLDFQ-JOYOIKCWSA-N -1 3 380.336 0.466 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2nnsc2Cl)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571154174 952689429 /nfs/dbraw/zinc/68/94/29/952689429.db2.gz ZAVLKTMYTIDAJL-MRVPVSSYSA-N -1 3 379.837 0.704 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2nnsc2Cl)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571154174 952689433 /nfs/dbraw/zinc/68/94/33/952689433.db2.gz ZAVLKTMYTIDAJL-MRVPVSSYSA-N -1 3 379.837 0.704 20 0 GCADHM CCc1cccnc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571155000 952691588 /nfs/dbraw/zinc/69/15/88/952691588.db2.gz DKTWHFNSMNKQQR-ZDUSSCGKSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccnc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571155000 952691593 /nfs/dbraw/zinc/69/15/93/952691593.db2.gz DKTWHFNSMNKQQR-ZDUSSCGKSA-N -1 3 380.412 0.797 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cccnc1 ZINC001571155096 952692639 /nfs/dbraw/zinc/69/26/39/952692639.db2.gz HTPQRYSCUSQTFT-KCPJHIHWSA-N -1 3 380.412 0.126 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cccnc1 ZINC001571155096 952692643 /nfs/dbraw/zinc/69/26/43/952692643.db2.gz HTPQRYSCUSQTFT-KCPJHIHWSA-N -1 3 380.412 0.126 20 0 GCADHM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571155224 952693575 /nfs/dbraw/zinc/69/35/75/952693575.db2.gz LDTUKPSLHFDIEV-WQHBLYJGSA-N -1 3 380.405 0.280 20 0 GCADHM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571155224 952693577 /nfs/dbraw/zinc/69/35/77/952693577.db2.gz LDTUKPSLHFDIEV-WQHBLYJGSA-N -1 3 380.405 0.280 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571155312 952695754 /nfs/dbraw/zinc/69/57/54/952695754.db2.gz NMJPUVVJZJYWQO-RISCZKNCSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571155312 952695757 /nfs/dbraw/zinc/69/57/57/952695757.db2.gz NMJPUVVJZJYWQO-RISCZKNCSA-N -1 3 380.412 0.552 20 0 GCADHM CN(C(=O)Cc1cccnc1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571155424 952697083 /nfs/dbraw/zinc/69/70/83/952697083.db2.gz RHWYJCYQYWVUEX-CQSZACIVSA-N -1 3 380.412 0.505 20 0 GCADHM CN(C(=O)Cc1cccnc1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571155424 952697086 /nfs/dbraw/zinc/69/70/86/952697086.db2.gz RHWYJCYQYWVUEX-CQSZACIVSA-N -1 3 380.412 0.505 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cn(C)ccc1=O ZINC001571155744 952700167 /nfs/dbraw/zinc/70/01/67/952700167.db2.gz YUQMRHNAIKJDRC-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001571155744 952700171 /nfs/dbraw/zinc/70/01/71/952700171.db2.gz YUQMRHNAIKJDRC-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM Cc1ccc(N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@@H]3C2)nn1 ZINC001571156011 952701012 /nfs/dbraw/zinc/70/10/12/952701012.db2.gz ASVQWADJPMWKQT-OCCSQVGLSA-N -1 3 379.428 0.892 20 0 GCADHM Cc1ccc(N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@@H]3C2)nn1 ZINC001571156011 952701019 /nfs/dbraw/zinc/70/10/19/952701019.db2.gz ASVQWADJPMWKQT-OCCSQVGLSA-N -1 3 379.428 0.892 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](CN(C)c3ncccc3-c3nnn[n-]3)C2)cnn1 ZINC001571156862 952705646 /nfs/dbraw/zinc/70/56/46/952705646.db2.gz LUMGRGJQLKHRIB-ZDUSSCGKSA-N -1 3 379.428 0.959 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)cnn1 ZINC001571156862 952705651 /nfs/dbraw/zinc/70/56/51/952705651.db2.gz LUMGRGJQLKHRIB-ZDUSSCGKSA-N -1 3 379.428 0.959 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c[nH]1 ZINC001571157945 952708972 /nfs/dbraw/zinc/70/89/72/952708972.db2.gz DGIWABKDVLSYPC-ZDUSSCGKSA-N -1 3 380.412 0.975 20 0 GCADHM Cc1cc(=O)c(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c[nH]1 ZINC001571157945 952708975 /nfs/dbraw/zinc/70/89/75/952708975.db2.gz DGIWABKDVLSYPC-ZDUSSCGKSA-N -1 3 380.412 0.975 20 0 GCADHM Cc1cc(C)nc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)c1 ZINC001571158277 952710820 /nfs/dbraw/zinc/71/08/20/952710820.db2.gz GEMBXUHBCZGRLO-HUUCEWRRSA-N -1 3 380.412 0.253 20 0 GCADHM Cc1cc(C)nc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c1 ZINC001571158277 952710824 /nfs/dbraw/zinc/71/08/24/952710824.db2.gz GEMBXUHBCZGRLO-HUUCEWRRSA-N -1 3 380.412 0.253 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)ccn1 ZINC001571158448 952711144 /nfs/dbraw/zinc/71/11/44/952711144.db2.gz HVFFKLGLSDKUND-CYBMUJFWSA-N -1 3 380.412 0.982 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)ccn1 ZINC001571158448 952711149 /nfs/dbraw/zinc/71/11/49/952711149.db2.gz HVFFKLGLSDKUND-CYBMUJFWSA-N -1 3 380.412 0.982 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)ccn1 ZINC001571158488 952712430 /nfs/dbraw/zinc/71/24/30/952712430.db2.gz JJLILOUUECIMET-WCQYABFASA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)ccn1 ZINC001571158488 952712434 /nfs/dbraw/zinc/71/24/34/952712434.db2.gz JJLILOUUECIMET-WCQYABFASA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c[nH]1 ZINC001571158679 952713452 /nfs/dbraw/zinc/71/34/52/952713452.db2.gz MEWVNJVGPKFUOD-GOSISDBHSA-N -1 3 380.412 0.657 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571158679 952713454 /nfs/dbraw/zinc/71/34/54/952713454.db2.gz MEWVNJVGPKFUOD-GOSISDBHSA-N -1 3 380.412 0.657 20 0 GCADHM Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H](Nc3ncccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571158685 952713966 /nfs/dbraw/zinc/71/39/66/952713966.db2.gz MKFKRRHIMCQFQI-QMTHXVAHSA-N -1 3 380.412 0.831 20 0 GCADHM Cc1cc(=O)c(C(=O)N2C[C@@H](C)[C@H](Nc3ncccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571158685 952713968 /nfs/dbraw/zinc/71/39/68/952713968.db2.gz MKFKRRHIMCQFQI-QMTHXVAHSA-N -1 3 380.412 0.831 20 0 GCADHM Cc1cc(N[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158654 952713985 /nfs/dbraw/zinc/71/39/85/952713985.db2.gz LPYIJDGZDQYXHZ-GFCCVEGCSA-N -1 3 380.412 0.809 20 0 GCADHM COc1nccc(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571158947 952716112 /nfs/dbraw/zinc/71/61/12/952716112.db2.gz NWMHLTHIEJZLFD-AWEZNQCLSA-N -1 3 380.412 0.670 20 0 GCADHM Cc1ccc(CC(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571159065 952716849 /nfs/dbraw/zinc/71/68/49/952716849.db2.gz PXFNFKNKRRTPAS-BETUJISGSA-N -1 3 380.412 0.518 20 0 GCADHM Cc1ccc(CC(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571159065 952716851 /nfs/dbraw/zinc/71/68/51/952716851.db2.gz PXFNFKNKRRTPAS-BETUJISGSA-N -1 3 380.412 0.518 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c(=O)[nH]1 ZINC001571159251 952716937 /nfs/dbraw/zinc/71/69/37/952716937.db2.gz RSNXCGGFGZHDAU-LBPRGKRZSA-N -1 3 380.412 0.988 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c(=O)[nH]1 ZINC001571159251 952716938 /nfs/dbraw/zinc/71/69/38/952716938.db2.gz RSNXCGGFGZHDAU-LBPRGKRZSA-N -1 3 380.412 0.988 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H](NC(=O)Cn3ccccc3=O)C2)n1 ZINC001571159349 952718032 /nfs/dbraw/zinc/71/80/32/952718032.db2.gz UZAHEZPHLKVRNU-BETUJISGSA-N -1 3 380.412 0.491 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H](NC(=O)Cn3ccccc3=O)C2)n1 ZINC001571159349 952718036 /nfs/dbraw/zinc/71/80/36/952718036.db2.gz UZAHEZPHLKVRNU-BETUJISGSA-N -1 3 380.412 0.491 20 0 GCADHM COc1ccnc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571159328 952718850 /nfs/dbraw/zinc/71/88/50/952718850.db2.gz UPJXQCIZMLZRKR-GFCCVEGCSA-N -1 3 380.412 0.922 20 0 GCADHM COc1ccnc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571159328 952718855 /nfs/dbraw/zinc/71/88/55/952718855.db2.gz UPJXQCIZMLZRKR-GFCCVEGCSA-N -1 3 380.412 0.922 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571159503 952720157 /nfs/dbraw/zinc/72/01/57/952720157.db2.gz WRVKOEDJADLHLW-ZDUSSCGKSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571159503 952720160 /nfs/dbraw/zinc/72/01/60/952720160.db2.gz WRVKOEDJADLHLW-ZDUSSCGKSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cnccc1C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571160214 952723770 /nfs/dbraw/zinc/72/37/70/952723770.db2.gz DYUHILOTFICOAD-UHFFFAOYSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cnccc1C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571160214 952723773 /nfs/dbraw/zinc/72/37/73/952723773.db2.gz DYUHILOTFICOAD-UHFFFAOYSA-N -1 3 380.412 0.931 20 0 GCADHM O=C(CCc1ccon1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571160508 952726680 /nfs/dbraw/zinc/72/66/80/952726680.db2.gz IOHYJCVMXVTZHR-DZGCQCFKSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(CCc1ccon1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571160508 952726686 /nfs/dbraw/zinc/72/66/86/952726686.db2.gz IOHYJCVMXVTZHR-DZGCQCFKSA-N -1 3 380.412 0.920 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571160777 952728356 /nfs/dbraw/zinc/72/83/56/952728356.db2.gz LYRPCAJLUGZARG-ZFWWWQNUSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3ccccn3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571160777 952728361 /nfs/dbraw/zinc/72/83/61/952728361.db2.gz LYRPCAJLUGZARG-ZFWWWQNUSA-N -1 3 380.412 0.335 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@@H]2[C@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001571160845 952728664 /nfs/dbraw/zinc/72/86/64/952728664.db2.gz MZVDLJHSKAXQGV-IUODEOHRSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@@H]2[C@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001571160845 952728670 /nfs/dbraw/zinc/72/86/70/952728670.db2.gz MZVDLJHSKAXQGV-IUODEOHRSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(c1ccncc1)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571161035 952729337 /nfs/dbraw/zinc/72/93/37/952729337.db2.gz PCLMVDGTVSOEMX-SFHVURJKSA-N -1 3 380.412 0.736 20 0 GCADHM O=C(c1ccncc1)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571161035 952729339 /nfs/dbraw/zinc/72/93/39/952729339.db2.gz PCLMVDGTVSOEMX-SFHVURJKSA-N -1 3 380.412 0.736 20 0 GCADHM O=C(CCc1ccncc1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571160883 952729450 /nfs/dbraw/zinc/72/94/50/952729450.db2.gz OBQBWASPMFBBFA-CYBMUJFWSA-N -1 3 380.412 0.553 20 0 GCADHM O=C(CCc1ccncc1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571160883 952729454 /nfs/dbraw/zinc/72/94/54/952729454.db2.gz OBQBWASPMFBBFA-CYBMUJFWSA-N -1 3 380.412 0.553 20 0 GCADHM O=C(CCc1ccncc1)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571160884 952729522 /nfs/dbraw/zinc/72/95/22/952729522.db2.gz OBQBWASPMFBBFA-ZDUSSCGKSA-N -1 3 380.412 0.553 20 0 GCADHM O=C(CCc1ccncc1)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571160884 952729524 /nfs/dbraw/zinc/72/95/24/952729524.db2.gz OBQBWASPMFBBFA-ZDUSSCGKSA-N -1 3 380.412 0.553 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1)c1ccncn1 ZINC001571161054 952730504 /nfs/dbraw/zinc/73/05/04/952730504.db2.gz PQGSJJAQWFUDHO-OAHLLOKOSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1)c1ccncn1 ZINC001571161054 952730506 /nfs/dbraw/zinc/73/05/06/952730506.db2.gz PQGSJJAQWFUDHO-OAHLLOKOSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1)c1ccncn1 ZINC001571161058 952730630 /nfs/dbraw/zinc/73/06/30/952730630.db2.gz PRFHTGSNVNHPHN-OAHLLOKOSA-N -1 3 380.412 0.288 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1)c1ccncn1 ZINC001571161058 952730634 /nfs/dbraw/zinc/73/06/34/952730634.db2.gz PRFHTGSNVNHPHN-OAHLLOKOSA-N -1 3 380.412 0.288 20 0 GCADHM Cc1ccncc1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571161239 952731523 /nfs/dbraw/zinc/73/15/23/952731523.db2.gz SDQQXVDEZPNZPJ-ZDUSSCGKSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1ccncc1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571161239 952731525 /nfs/dbraw/zinc/73/15/25/952731525.db2.gz SDQQXVDEZPNZPJ-ZDUSSCGKSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1ccncc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001571161258 952731601 /nfs/dbraw/zinc/73/16/01/952731601.db2.gz SZFKVKAEDMCYFQ-GJZGRUSLSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccncc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001571161258 952731604 /nfs/dbraw/zinc/73/16/04/952731604.db2.gz SZFKVKAEDMCYFQ-GJZGRUSLSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001571161274 952731722 /nfs/dbraw/zinc/73/17/22/952731722.db2.gz UBTCEECMTYTKMI-ZBFHGGJFSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001571161274 952731728 /nfs/dbraw/zinc/73/17/28/952731728.db2.gz UBTCEECMTYTKMI-ZBFHGGJFSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccncc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001571161257 952732142 /nfs/dbraw/zinc/73/21/42/952732142.db2.gz SZFKVKAEDMCYFQ-CABCVRRESA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccncc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001571161257 952732143 /nfs/dbraw/zinc/73/21/43/952732143.db2.gz SZFKVKAEDMCYFQ-CABCVRRESA-N -1 3 380.412 0.335 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001571161240 952732214 /nfs/dbraw/zinc/73/22/14/952732214.db2.gz SFKJLDZCUOICMJ-HUUCEWRRSA-N -1 3 380.412 0.253 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001571161240 952732218 /nfs/dbraw/zinc/73/22/18/952732218.db2.gz SFKJLDZCUOICMJ-HUUCEWRRSA-N -1 3 380.412 0.253 20 0 GCADHM O=C(N[C@H]1CC[C@@H](CNC(=O)c2ccncc2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571161477 952733172 /nfs/dbraw/zinc/73/31/72/952733172.db2.gz WVFPWJGNZGQYNZ-RISCZKNCSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(N[C@H]1CC[C@@H](CNC(=O)c2ccncc2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571161477 952733174 /nfs/dbraw/zinc/73/31/74/952733174.db2.gz WVFPWJGNZGQYNZ-RISCZKNCSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNC(=O)c2ccncc2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571161476 952733201 /nfs/dbraw/zinc/73/32/01/952733201.db2.gz WVFPWJGNZGQYNZ-FZMZJTMJSA-N -1 3 380.412 0.918 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNC(=O)c2ccncc2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571161476 952733203 /nfs/dbraw/zinc/73/32/03/952733203.db2.gz WVFPWJGNZGQYNZ-FZMZJTMJSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571161451 952733224 /nfs/dbraw/zinc/73/32/24/952733224.db2.gz VWKNAUDHZDFWRQ-GFCCVEGCSA-N -1 3 380.412 0.790 20 0 GCADHM Cc1cncc(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571161451 952733228 /nfs/dbraw/zinc/73/32/28/952733228.db2.gz VWKNAUDHZDFWRQ-GFCCVEGCSA-N -1 3 380.412 0.790 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571162120 952739841 /nfs/dbraw/zinc/73/98/41/952739841.db2.gz KTXHGQZLHGBTEX-SMDDNHRTSA-N -1 3 380.416 0.224 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571162120 952739843 /nfs/dbraw/zinc/73/98/43/952739843.db2.gz KTXHGQZLHGBTEX-SMDDNHRTSA-N -1 3 380.416 0.224 20 0 GCADHM Cc1nc[nH]c1C(=O)N1C[C@H]2CN(c3nc(C)cc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571162259 952740903 /nfs/dbraw/zinc/74/09/03/952740903.db2.gz OYEGTARPSCZQSO-TXEJJXNPSA-N -1 3 380.416 0.205 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nccnc1N ZINC001571162435 952742579 /nfs/dbraw/zinc/74/25/79/952742579.db2.gz UGCQASZOARWBQY-ZYHUDNBSSA-N -1 3 380.416 0.739 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nccnc1N ZINC001571162435 952742580 /nfs/dbraw/zinc/74/25/80/952742580.db2.gz UGCQASZOARWBQY-ZYHUDNBSSA-N -1 3 380.416 0.739 20 0 GCADHM C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571162404 952743543 /nfs/dbraw/zinc/74/35/43/952743543.db2.gz STYHLDQSXMUZRC-AGKHESDQSA-N -1 3 380.416 0.269 20 0 GCADHM C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571162404 952743547 /nfs/dbraw/zinc/74/35/47/952743547.db2.gz STYHLDQSXMUZRC-AGKHESDQSA-N -1 3 380.416 0.269 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571162665 952745574 /nfs/dbraw/zinc/74/55/74/952745574.db2.gz XLDQZLPXGBPTIR-QWRGUYRKSA-N -1 3 380.416 0.597 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571162665 952745578 /nfs/dbraw/zinc/74/55/78/952745578.db2.gz XLDQZLPXGBPTIR-QWRGUYRKSA-N -1 3 380.416 0.597 20 0 GCADHM C[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001571162634 952745589 /nfs/dbraw/zinc/74/55/89/952745589.db2.gz WSIBLOPLJWHVIA-ONGXEEELSA-N -1 3 380.416 0.972 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)c3nccnc3N)[C@@H]2C)ccc1-c1nnn[n-]1 ZINC001571165138 952747725 /nfs/dbraw/zinc/74/77/25/952747725.db2.gz CQQFGCMNJWQUEF-ZYHUDNBSSA-N -1 3 380.416 0.657 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)c3nccnc3N)[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001571165138 952747727 /nfs/dbraw/zinc/74/77/27/952747727.db2.gz CQQFGCMNJWQUEF-ZYHUDNBSSA-N -1 3 380.416 0.657 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571165490 952752031 /nfs/dbraw/zinc/75/20/31/952752031.db2.gz HYELSBKIFZBCTL-UONOGXRCSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571165490 952752034 /nfs/dbraw/zinc/75/20/34/952752034.db2.gz HYELSBKIFZBCTL-UONOGXRCSA-N -1 3 380.416 0.192 20 0 GCADHM COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC001571165633 952753504 /nfs/dbraw/zinc/75/35/04/952753504.db2.gz HAVDHYAJYNTTMG-JOYOIKCWSA-N -1 3 380.430 0.404 20 0 GCADHM COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC001571165633 952753505 /nfs/dbraw/zinc/75/35/05/952753505.db2.gz HAVDHYAJYNTTMG-JOYOIKCWSA-N -1 3 380.430 0.404 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@@H]1CCc2c[nH]nc2C1 ZINC001571166123 952758854 /nfs/dbraw/zinc/75/88/54/952758854.db2.gz OFURSPQXRBILBO-JLLWLGSASA-N -1 3 380.416 0.244 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2cncn2)ccc1-c1nnn[n-]1 ZINC001571166312 952760077 /nfs/dbraw/zinc/76/00/77/952760077.db2.gz QPWKCABTBLRCQX-STQMWFEESA-N -1 3 380.416 0.041 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2cncn2)ccc1-c1nn[n-]n1 ZINC001571166312 952760080 /nfs/dbraw/zinc/76/00/80/952760080.db2.gz QPWKCABTBLRCQX-STQMWFEESA-N -1 3 380.416 0.041 20 0 GCADHM Cn1nncc1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571166469 952761819 /nfs/dbraw/zinc/76/18/19/952761819.db2.gz SDDGZKNBLQVFDD-QGZVFWFLSA-N -1 3 380.416 0.133 20 0 GCADHM Cn1nncc1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571166469 952761824 /nfs/dbraw/zinc/76/18/24/952761824.db2.gz SDDGZKNBLQVFDD-QGZVFWFLSA-N -1 3 380.416 0.133 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571166476 952761927 /nfs/dbraw/zinc/76/19/27/952761927.db2.gz SGDKVQWFFUWZKB-OLZOCXBDSA-N -1 3 380.416 0.131 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571166476 952761929 /nfs/dbraw/zinc/76/19/29/952761929.db2.gz SGDKVQWFFUWZKB-OLZOCXBDSA-N -1 3 380.416 0.131 20 0 GCADHM O=C([C@H]1CCCc2n[nH]cc21)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571166448 952761976 /nfs/dbraw/zinc/76/19/76/952761976.db2.gz RUAKHEMDIVVHLY-NSHDSACASA-N -1 3 380.416 0.149 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571166736 952764283 /nfs/dbraw/zinc/76/42/83/952764283.db2.gz PMIONCTZSLRYKL-SNVBAGLBSA-N -1 3 380.434 0.055 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571166736 952764286 /nfs/dbraw/zinc/76/42/86/952764286.db2.gz PMIONCTZSLRYKL-SNVBAGLBSA-N -1 3 380.434 0.055 20 0 GCADHM Cc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3nccnc3N)C2)ccc1-c1nnn[n-]1 ZINC001571166800 952765687 /nfs/dbraw/zinc/76/56/87/952765687.db2.gz WIDMEXGEMOVNTK-MWLCHTKSSA-N -1 3 380.416 0.657 20 0 GCADHM Cc1nc(N[C@@H]2C[C@@H](C)N(C(=O)c3nccnc3N)C2)ccc1-c1nn[n-]n1 ZINC001571166800 952765689 /nfs/dbraw/zinc/76/56/89/952765689.db2.gz WIDMEXGEMOVNTK-MWLCHTKSSA-N -1 3 380.416 0.657 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1F)c1ccnnc1 ZINC001571170187 952783717 /nfs/dbraw/zinc/78/37/17/952783717.db2.gz FRJQSVSEBMTJPG-XBFCOCLRSA-N -1 3 381.375 0.731 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1F)c1ccnnc1 ZINC001571170187 952783722 /nfs/dbraw/zinc/78/37/22/952783722.db2.gz FRJQSVSEBMTJPG-XBFCOCLRSA-N -1 3 381.375 0.731 20 0 GCADHM O=C(NC1CN(C[C@@H]2COc3ccccc3O2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571170153 952783834 /nfs/dbraw/zinc/78/38/34/952783834.db2.gz DRNQWXHPVYHZTJ-GFCCVEGCSA-N -1 3 381.396 0.449 20 0 GCADHM O=C(NC1CN(C[C@@H]2COc3ccccc3O2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571170153 952783839 /nfs/dbraw/zinc/78/38/39/952783839.db2.gz DRNQWXHPVYHZTJ-GFCCVEGCSA-N -1 3 381.396 0.449 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)c(C)o1 ZINC001571170368 952784890 /nfs/dbraw/zinc/78/48/90/952784890.db2.gz HQQZIHMQBJFKBU-NHAGDIPZSA-N -1 3 381.396 0.905 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)c(C)o1 ZINC001571170368 952784891 /nfs/dbraw/zinc/78/48/91/952784891.db2.gz HQQZIHMQBJFKBU-NHAGDIPZSA-N -1 3 381.396 0.905 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571170209 952785011 /nfs/dbraw/zinc/78/50/11/952785011.db2.gz GEPWEDRGSFBVSU-GXSJLCMTSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571170209 952785017 /nfs/dbraw/zinc/78/50/17/952785017.db2.gz GEPWEDRGSFBVSU-GXSJLCMTSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571170210 952785071 /nfs/dbraw/zinc/78/50/71/952785071.db2.gz GEPWEDRGSFBVSU-KOLCDFICSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571170210 952785074 /nfs/dbraw/zinc/78/50/74/952785074.db2.gz GEPWEDRGSFBVSU-KOLCDFICSA-N -1 3 381.400 0.404 20 0 GCADHM O=C(Cc1ccoc1)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571170430 952786027 /nfs/dbraw/zinc/78/60/27/952786027.db2.gz JSSXFEJVFWOTTI-SWLSCSKDSA-N -1 3 381.396 0.703 20 0 GCADHM O=C(Cc1ccoc1)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571170430 952786031 /nfs/dbraw/zinc/78/60/31/952786031.db2.gz JSSXFEJVFWOTTI-SWLSCSKDSA-N -1 3 381.396 0.703 20 0 GCADHM CN(C[C@H]1CCN1CCO[C@@H]1CC1(F)F)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170654 952788217 /nfs/dbraw/zinc/78/82/17/952788217.db2.gz KDOGLQBSEGQDNK-DGCLKSJQSA-N -1 3 381.387 0.765 20 0 GCADHM CN(C[C@H]1CCN1CCO[C@@H]1CC1(F)F)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170654 952788222 /nfs/dbraw/zinc/78/82/22/952788222.db2.gz KDOGLQBSEGQDNK-DGCLKSJQSA-N -1 3 381.387 0.765 20 0 GCADHM CN(C(=O)c1ccc(C(N)=O)o1)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571170660 952788534 /nfs/dbraw/zinc/78/85/34/952788534.db2.gz KGEBUOHOKXBIEJ-UHFFFAOYSA-N -1 3 381.396 0.515 20 0 GCADHM CN(C(=O)c1ccc(C(N)=O)o1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571170660 952788539 /nfs/dbraw/zinc/78/85/39/952788539.db2.gz KGEBUOHOKXBIEJ-UHFFFAOYSA-N -1 3 381.396 0.515 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571171400 952792731 /nfs/dbraw/zinc/79/27/31/952792731.db2.gz SIXOJXAUVKCXGW-KOLCDFICSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001571171400 952792736 /nfs/dbraw/zinc/79/27/36/952792736.db2.gz SIXOJXAUVKCXGW-KOLCDFICSA-N -1 3 381.400 0.404 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(C(=O)c2cccnn2)CC1 ZINC001571171824 952797722 /nfs/dbraw/zinc/79/77/22/952797722.db2.gz XIZDIBRTHMZHIX-UHFFFAOYSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(C(=O)c2cccnn2)CC1 ZINC001571171824 952797724 /nfs/dbraw/zinc/79/77/24/952797724.db2.gz XIZDIBRTHMZHIX-UHFFFAOYSA-N -1 3 381.400 0.362 20 0 GCADHM CCCNC(=O)[C@@H](C)NS(=O)(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001571171871 952798450 /nfs/dbraw/zinc/79/84/50/952798450.db2.gz HIWIATYXUFYACN-GFCCVEGCSA-N -1 3 380.474 0.818 20 0 GCADHM CCCNC(=O)[C@@H](C)NS(=O)(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001571171871 952798452 /nfs/dbraw/zinc/79/84/52/952798452.db2.gz HIWIATYXUFYACN-GFCCVEGCSA-N -1 3 380.474 0.818 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)c2cnc[nH]c2=O)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571171995 952799893 /nfs/dbraw/zinc/79/98/93/952799893.db2.gz ZYQMBWDNPMGNFL-MNOVXSKESA-N -1 3 381.400 0.545 20 0 GCADHM O=C(Cc1nc[nH]n1)N[C@H]1CCN(c2nc(-c3nnn[n-]3)c(Cl)s2)C1 ZINC001571172255 952804459 /nfs/dbraw/zinc/80/44/59/952804459.db2.gz QWVHNSXPYJRPJH-LURJTMIESA-N -1 3 380.825 0.032 20 0 GCADHM O=C(Cc1nc[nH]n1)N[C@H]1CCN(c2nc(-c3nn[n-]n3)c(Cl)s2)C1 ZINC001571172255 952804464 /nfs/dbraw/zinc/80/44/64/952804464.db2.gz QWVHNSXPYJRPJH-LURJTMIESA-N -1 3 380.825 0.032 20 0 GCADHM COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571172824 952809584 /nfs/dbraw/zinc/80/95/84/952809584.db2.gz YJTOSVHVQYETIL-KOLCDFICSA-N -1 3 380.792 0.756 20 0 GCADHM COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571172824 952809589 /nfs/dbraw/zinc/80/95/89/952809589.db2.gz YJTOSVHVQYETIL-KOLCDFICSA-N -1 3 380.792 0.756 20 0 GCADHM COc1nccc(C(=O)N(C)C2CC(Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571174596 952811114 /nfs/dbraw/zinc/81/11/14/952811114.db2.gz BJISOHMNIBUOEN-UHFFFAOYSA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N(C)C2CC(Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571174596 952811123 /nfs/dbraw/zinc/81/11/23/952811123.db2.gz BJISOHMNIBUOEN-UHFFFAOYSA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)n1 ZINC001571174580 952811204 /nfs/dbraw/zinc/81/12/04/952811204.db2.gz AYRSNMMAMSGXPA-LLVKDONJSA-N -1 3 381.400 0.777 20 0 GCADHM COc1nccc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)n1 ZINC001571174580 952811210 /nfs/dbraw/zinc/81/12/10/952811210.db2.gz AYRSNMMAMSGXPA-LLVKDONJSA-N -1 3 381.400 0.777 20 0 GCADHM COc1cncc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571174629 952811976 /nfs/dbraw/zinc/81/19/76/952811976.db2.gz CHHUEHSAYCLWEI-LBPRGKRZSA-N -1 3 381.400 0.777 20 0 GCADHM COc1cncc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571174629 952811985 /nfs/dbraw/zinc/81/19/85/952811985.db2.gz CHHUEHSAYCLWEI-LBPRGKRZSA-N -1 3 381.400 0.777 20 0 GCADHM Cc1cc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cnn1 ZINC001571174776 952814052 /nfs/dbraw/zinc/81/40/52/952814052.db2.gz HYVPQFZISWPTRA-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1cc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cnn1 ZINC001571174776 952814059 /nfs/dbraw/zinc/81/40/59/952814059.db2.gz HYVPQFZISWPTRA-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)C2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cnn1 ZINC001571174861 952815397 /nfs/dbraw/zinc/81/53/97/952815397.db2.gz KTIDDJXXIKHHIZ-JTQLQIEISA-N -1 3 381.400 0.184 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)C2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cnn1 ZINC001571174861 952815400 /nfs/dbraw/zinc/81/54/00/952815400.db2.gz KTIDDJXXIKHHIZ-JTQLQIEISA-N -1 3 381.400 0.184 20 0 GCADHM CN1CC[C@@H](NC(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)C1=O ZINC001571175250 952817833 /nfs/dbraw/zinc/81/78/33/952817833.db2.gz QWJHLEMQFPGSPP-CQSZACIVSA-N -1 3 381.400 0.464 20 0 GCADHM CN1CC[C@@H](NC(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)C1=O ZINC001571175250 952817837 /nfs/dbraw/zinc/81/78/37/952817837.db2.gz QWJHLEMQFPGSPP-CQSZACIVSA-N -1 3 381.400 0.464 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001571175325 952818949 /nfs/dbraw/zinc/81/89/49/952818949.db2.gz SOKWVKXPXBLKIC-XYPYZODXSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001571175325 952818954 /nfs/dbraw/zinc/81/89/54/952818954.db2.gz SOKWVKXPXBLKIC-XYPYZODXSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1ncncc1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571175292 952819148 /nfs/dbraw/zinc/81/91/48/952819148.db2.gz AHSALDYBIPQQFF-YMTOWFKASA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ncncc1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571175292 952819153 /nfs/dbraw/zinc/81/91/53/952819153.db2.gz AHSALDYBIPQQFF-YMTOWFKASA-N -1 3 381.400 0.184 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNC(=O)c2cccnn2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571175293 952819706 /nfs/dbraw/zinc/81/97/06/952819706.db2.gz AJPFSLJRTMYYEA-GHMZBOCLSA-N -1 3 381.400 0.313 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNC(=O)c2cccnn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571175293 952819713 /nfs/dbraw/zinc/81/97/13/952819713.db2.gz AJPFSLJRTMYYEA-GHMZBOCLSA-N -1 3 381.400 0.313 20 0 GCADHM COc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)[C@H]2C)nn1 ZINC001571175278 952820123 /nfs/dbraw/zinc/82/01/23/952820123.db2.gz RLZDFCVIYRUWIL-ZYHUDNBSSA-N -1 3 381.400 0.775 20 0 GCADHM COc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)[C@H]2C)nn1 ZINC001571175278 952820134 /nfs/dbraw/zinc/82/01/34/952820134.db2.gz RLZDFCVIYRUWIL-ZYHUDNBSSA-N -1 3 381.400 0.775 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnn1 ZINC001571175429 952822202 /nfs/dbraw/zinc/82/22/02/952822202.db2.gz CKRRAUQDHBSSJF-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnn1 ZINC001571175429 952822206 /nfs/dbraw/zinc/82/22/06/952822206.db2.gz CKRRAUQDHBSSJF-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)c[nH]1 ZINC001571175432 952822491 /nfs/dbraw/zinc/82/24/91/952822491.db2.gz CNDMFSCXIVNXHU-UHFFFAOYSA-N -1 3 381.400 0.041 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)c[nH]1 ZINC001571175432 952822497 /nfs/dbraw/zinc/82/24/97/952822497.db2.gz CNDMFSCXIVNXHU-UHFFFAOYSA-N -1 3 381.400 0.041 20 0 GCADHM Cn1nccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571175439 952822551 /nfs/dbraw/zinc/82/25/51/952822551.db2.gz CSWCUWBKEPHQTC-TXEJJXNPSA-N -1 3 381.400 0.058 20 0 GCADHM Cn1nccc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571175439 952822561 /nfs/dbraw/zinc/82/25/61/952822561.db2.gz CSWCUWBKEPHQTC-TXEJJXNPSA-N -1 3 381.400 0.058 20 0 GCADHM Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(-c4nnn[n-]4)[nH]2)C3)n1 ZINC001571175567 952822636 /nfs/dbraw/zinc/82/26/36/952822636.db2.gz VGKFRWZNSGROPO-ICCXJUOJSA-N -1 3 381.400 0.402 20 0 GCADHM Cc1c[nH]c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccc(-c4nn[n-]n4)[nH]2)C3)n1 ZINC001571175567 952822640 /nfs/dbraw/zinc/82/26/40/952822640.db2.gz VGKFRWZNSGROPO-ICCXJUOJSA-N -1 3 381.400 0.402 20 0 GCADHM O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1)c1cnc[nH]c1=O ZINC001571175446 952822946 /nfs/dbraw/zinc/82/29/46/952822946.db2.gz DCNXKXFCUBPASJ-GWCFXTLKSA-N -1 3 381.400 0.768 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1ccncn1 ZINC001571175633 952823305 /nfs/dbraw/zinc/82/33/05/952823305.db2.gz XRRDUVCKGGZQTE-GFCCVEGCSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1ccncn1 ZINC001571175633 952823306 /nfs/dbraw/zinc/82/33/06/952823306.db2.gz XRRDUVCKGGZQTE-GFCCVEGCSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C(=O)c1cncnc1)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571175623 952824224 /nfs/dbraw/zinc/82/42/24/952824224.db2.gz XKLSRIINQLUHNZ-UHFFFAOYSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C(=O)c1cncnc1)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571175623 952824229 /nfs/dbraw/zinc/82/42/29/952824229.db2.gz XKLSRIINQLUHNZ-UHFFFAOYSA-N -1 3 381.400 0.362 20 0 GCADHM Cc1nnccc1C(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571175756 952824683 /nfs/dbraw/zinc/82/46/83/952824683.db2.gz GVIFLEHSICBVOO-VIFPVBQESA-N -1 3 381.400 0.184 20 0 GCADHM Cc1nnccc1C(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571175756 952824689 /nfs/dbraw/zinc/82/46/89/952824689.db2.gz GVIFLEHSICBVOO-VIFPVBQESA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ccnc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571175900 952826742 /nfs/dbraw/zinc/82/67/42/952826742.db2.gz HGQQJLDHTOMHAI-ZDUSSCGKSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1ccnc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571175900 952826749 /nfs/dbraw/zinc/82/67/49/952826749.db2.gz HGQQJLDHTOMHAI-ZDUSSCGKSA-N -1 3 381.400 0.313 20 0 GCADHM Cc1nc(N2CC[C@@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)ccc1-c1nnn[n-]1 ZINC001571175935 952826943 /nfs/dbraw/zinc/82/69/43/952826943.db2.gz IQOKWFJCAAHTGQ-QGZVFWFLSA-N -1 3 381.400 0.465 20 0 GCADHM Cc1nc(N2CC[C@@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)ccc1-c1nn[n-]n1 ZINC001571175935 952826947 /nfs/dbraw/zinc/82/69/47/952826947.db2.gz IQOKWFJCAAHTGQ-QGZVFWFLSA-N -1 3 381.400 0.465 20 0 GCADHM O=C(NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cncnc1 ZINC001571176105 952827915 /nfs/dbraw/zinc/82/79/15/952827915.db2.gz LBRYTFIFQUZLSG-UHFFFAOYSA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cncnc1 ZINC001571176105 952827920 /nfs/dbraw/zinc/82/79/20/952827920.db2.gz LBRYTFIFQUZLSG-UHFFFAOYSA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2)c1cnon1 ZINC001571176126 952829664 /nfs/dbraw/zinc/82/96/64/952829664.db2.gz LYZQSERYTXMSFC-CXAGYDPISA-N -1 3 381.400 0.824 20 0 GCADHM O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2)c1cnon1 ZINC001571176126 952829668 /nfs/dbraw/zinc/82/96/68/952829668.db2.gz LYZQSERYTXMSFC-CXAGYDPISA-N -1 3 381.400 0.824 20 0 GCADHM Cn1nc(C(=O)N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)ccc1=O ZINC001571176118 952829693 /nfs/dbraw/zinc/82/96/93/952829693.db2.gz LSUMCZSVTLEUAU-NSHDSACASA-N -1 3 381.400 0.072 20 0 GCADHM Cn1nc(C(=O)N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)ccc1=O ZINC001571176118 952829699 /nfs/dbraw/zinc/82/96/99/952829699.db2.gz LSUMCZSVTLEUAU-NSHDSACASA-N -1 3 381.400 0.072 20 0 GCADHM Cc1nnccc1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571176313 952830225 /nfs/dbraw/zinc/83/02/25/952830225.db2.gz PAYNKDFCLUFQCW-LLVKDONJSA-N -1 3 381.400 0.185 20 0 GCADHM Cc1nnccc1C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571176313 952830230 /nfs/dbraw/zinc/83/02/30/952830230.db2.gz PAYNKDFCLUFQCW-LLVKDONJSA-N -1 3 381.400 0.185 20 0 GCADHM Cc1ccnc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571176317 952830591 /nfs/dbraw/zinc/83/05/91/952830591.db2.gz PCKLGKNVNQNPLQ-JQWIXIFHSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571176317 952830595 /nfs/dbraw/zinc/83/05/95/952830595.db2.gz PCKLGKNVNQNPLQ-JQWIXIFHSA-N -1 3 381.400 0.326 20 0 GCADHM NC(=O)c1cc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nc3)C2)c[nH]1 ZINC001571176354 952830716 /nfs/dbraw/zinc/83/07/16/952830716.db2.gz QISUMYIRXBONTK-UHFFFAOYSA-N -1 3 381.400 0.309 20 0 GCADHM NC(=O)c1cc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nc3)C2)c[nH]1 ZINC001571176354 952830723 /nfs/dbraw/zinc/83/07/23/952830723.db2.gz QISUMYIRXBONTK-UHFFFAOYSA-N -1 3 381.400 0.309 20 0 GCADHM Cc1ccnc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571176318 952830852 /nfs/dbraw/zinc/83/08/52/952830852.db2.gz PCKLGKNVNQNPLQ-PWSUYJOCSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571176318 952830858 /nfs/dbraw/zinc/83/08/58/952830858.db2.gz PCKLGKNVNQNPLQ-PWSUYJOCSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571176367 952831110 /nfs/dbraw/zinc/83/11/10/952831110.db2.gz QRFGCVHLZHQDJP-GFCCVEGCSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1ccnc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571176367 952831117 /nfs/dbraw/zinc/83/11/17/952831117.db2.gz QRFGCVHLZHQDJP-GFCCVEGCSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1nc(N2CC[C@H]3CN(C(=O)c4cnon4)CC[C@H]32)ccc1-c1nnn[n-]1 ZINC001571176515 952831738 /nfs/dbraw/zinc/83/17/38/952831738.db2.gz SFHVQLSOGIJYSH-SMDDNHRTSA-N -1 3 381.400 0.694 20 0 GCADHM Cc1nc(N2CC[C@H]3CN(C(=O)c4cnon4)CC[C@H]32)ccc1-c1nn[n-]n1 ZINC001571176515 952831742 /nfs/dbraw/zinc/83/17/42/952831742.db2.gz SFHVQLSOGIJYSH-SMDDNHRTSA-N -1 3 381.400 0.694 20 0 GCADHM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1)c1cnon1 ZINC001571176555 952833634 /nfs/dbraw/zinc/83/36/34/952833634.db2.gz UTRWQCVPEHMRIA-QJPTWQEYSA-N -1 3 381.400 0.680 20 0 GCADHM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1)c1cnon1 ZINC001571176555 952833643 /nfs/dbraw/zinc/83/36/43/952833643.db2.gz UTRWQCVPEHMRIA-QJPTWQEYSA-N -1 3 381.400 0.680 20 0 GCADHM Cc1cnc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)cn1 ZINC001571176646 952834357 /nfs/dbraw/zinc/83/43/57/952834357.db2.gz WTTPEPDELYJACJ-MNOVXSKESA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cnc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)cn1 ZINC001571176646 952834363 /nfs/dbraw/zinc/83/43/63/952834363.db2.gz WTTPEPDELYJACJ-MNOVXSKESA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nonc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571176662 952834950 /nfs/dbraw/zinc/83/49/50/952834950.db2.gz WZVPQDYADDICFS-UHTWSYAYSA-N -1 3 381.400 0.740 20 0 GCADHM Cc1nonc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571176662 952834954 /nfs/dbraw/zinc/83/49/54/952834954.db2.gz WZVPQDYADDICFS-UHTWSYAYSA-N -1 3 381.400 0.740 20 0 GCADHM O=C(c1cccnn1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571178191 952835846 /nfs/dbraw/zinc/83/58/46/952835846.db2.gz AWNZIUMEOBDBSK-ZDUSSCGKSA-N -1 3 381.400 0.395 20 0 GCADHM O=C(c1cccnn1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571178191 952835851 /nfs/dbraw/zinc/83/58/51/952835851.db2.gz AWNZIUMEOBDBSK-ZDUSSCGKSA-N -1 3 381.400 0.395 20 0 GCADHM CC1=C(C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)[C@H](C)n2ncnc2N1C ZINC001571178431 952840492 /nfs/dbraw/zinc/84/04/92/952840492.db2.gz IQLSFBQVDMFNHF-QMMMGPOBSA-N -1 3 381.404 0.982 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571178707 952846529 /nfs/dbraw/zinc/84/65/29/952846529.db2.gz RGTRASFUHVZIOI-LLVKDONJSA-N -1 3 381.400 0.309 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571178707 952846533 /nfs/dbraw/zinc/84/65/33/952846533.db2.gz RGTRASFUHVZIOI-LLVKDONJSA-N -1 3 381.400 0.309 20 0 GCADHM O=C(c1ccc(=O)[nH]n1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571178882 952849029 /nfs/dbraw/zinc/84/90/29/952849029.db2.gz XBNUSOCTZUESKR-LBPRGKRZSA-N -1 3 381.400 0.864 20 0 GCADHM O=C(c1ccc(=O)[nH]n1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571178882 952849035 /nfs/dbraw/zinc/84/90/35/952849035.db2.gz XBNUSOCTZUESKR-LBPRGKRZSA-N -1 3 381.400 0.864 20 0 GCADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H]1C[C@H](OC)C1 ZINC001571178910 952849271 /nfs/dbraw/zinc/84/92/71/952849271.db2.gz XQSWTYQPYFMCEH-HOMQSWHASA-N -1 3 381.414 0.357 20 0 GCADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H]1C[C@H](OC)C1 ZINC001571178910 952849276 /nfs/dbraw/zinc/84/92/76/952849276.db2.gz XQSWTYQPYFMCEH-HOMQSWHASA-N -1 3 381.414 0.357 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571179951 952857153 /nfs/dbraw/zinc/85/71/53/952857153.db2.gz KWQTVRIHFAFFSZ-PGSNGQOISA-N -1 3 381.440 0.583 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571179951 952857161 /nfs/dbraw/zinc/85/71/61/952857161.db2.gz KWQTVRIHFAFFSZ-PGSNGQOISA-N -1 3 381.440 0.583 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(C2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1)C1CC1 ZINC001571181030 952862303 /nfs/dbraw/zinc/86/23/03/952862303.db2.gz UBIHUFQKPDGOMV-OAHLLOKOSA-N -1 3 381.440 0.178 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(C2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1)C1CC1 ZINC001571181030 952862306 /nfs/dbraw/zinc/86/23/06/952862306.db2.gz UBIHUFQKPDGOMV-OAHLLOKOSA-N -1 3 381.440 0.178 20 0 GCADHM Cc1nc(N2C[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001571181024 952862387 /nfs/dbraw/zinc/86/23/87/952862387.db2.gz TWLVUWPGFIEGSK-IHKLRGMBSA-N -1 3 381.440 0.357 20 0 GCADHM Cc1nc(N2C[C@@H]3CN(C(=O)[C@H]4[C@@H]5COC[C@@H]54)C[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001571181024 952862392 /nfs/dbraw/zinc/86/23/92/952862392.db2.gz TWLVUWPGFIEGSK-IHKLRGMBSA-N -1 3 381.440 0.357 20 0 GCADHM CO[C@@H](Cc1ccccc1)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571183138 952874515 /nfs/dbraw/zinc/87/45/15/952874515.db2.gz PVUCLOXLIJDXLJ-INIZCTEOSA-N -1 3 381.440 0.867 20 0 GCADHM CO[C@@H](Cc1ccccc1)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571183138 952874522 /nfs/dbraw/zinc/87/45/22/952874522.db2.gz PVUCLOXLIJDXLJ-INIZCTEOSA-N -1 3 381.440 0.867 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571183787 952882841 /nfs/dbraw/zinc/88/28/41/952882841.db2.gz JOCPQQAZKRNSCG-LSDHHAIUSA-N -1 3 381.444 0.711 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571183787 952882847 /nfs/dbraw/zinc/88/28/47/952882847.db2.gz JOCPQQAZKRNSCG-LSDHHAIUSA-N -1 3 381.444 0.711 20 0 GCADHM CCc1c(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nnn[n-]2)cnn1C ZINC001571183924 952886299 /nfs/dbraw/zinc/88/62/99/952886299.db2.gz MVSDZXZILUGCPB-LBPRGKRZSA-N -1 3 381.444 0.956 20 0 GCADHM CCc1c(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nn[n-]n2)cnn1C ZINC001571183924 952886303 /nfs/dbraw/zinc/88/63/03/952886303.db2.gz MVSDZXZILUGCPB-LBPRGKRZSA-N -1 3 381.444 0.956 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cn2cc(C)cn2)CCN1c1ncccc1-c1nnn[n-]1 ZINC001571184244 952890145 /nfs/dbraw/zinc/89/01/45/952890145.db2.gz UOYGKWFRKYXTSR-LSDHHAIUSA-N -1 3 381.444 0.940 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cn2cc(C)cn2)CCN1c1ncccc1-c1nn[n-]n1 ZINC001571184244 952890149 /nfs/dbraw/zinc/89/01/49/952890149.db2.gz UOYGKWFRKYXTSR-LSDHHAIUSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)cnn1C ZINC001571185450 952902503 /nfs/dbraw/zinc/90/25/03/952902503.db2.gz LSMFYVFLJRBNRU-CYBMUJFWSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1c(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nc3)C2)cnn1C ZINC001571185450 952902506 /nfs/dbraw/zinc/90/25/06/952902506.db2.gz LSMFYVFLJRBNRU-CYBMUJFWSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1ccnn1CC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571187961 952911202 /nfs/dbraw/zinc/91/12/02/952911202.db2.gz DPMPWUCXDBIQPT-OCCSQVGLSA-N -1 3 381.444 0.973 20 0 GCADHM Cc1ccnn1CC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571187961 952911205 /nfs/dbraw/zinc/91/12/05/952911205.db2.gz DPMPWUCXDBIQPT-OCCSQVGLSA-N -1 3 381.444 0.973 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H](NC(=O)Cn3cccn3)C(C)(C)C2)n1 ZINC001571188193 952912059 /nfs/dbraw/zinc/91/20/59/952912059.db2.gz HXFLBRLTXZVKHE-AWEZNQCLSA-N -1 3 381.444 0.798 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H](NC(=O)Cn3cccn3)C(C)(C)C2)n1 ZINC001571188193 952912062 /nfs/dbraw/zinc/91/20/62/952912062.db2.gz HXFLBRLTXZVKHE-AWEZNQCLSA-N -1 3 381.444 0.798 20 0 GCADHM Cc1nc(N[C@@H]2CCCN(C(=O)Cc3ccn(C)n3)C2)ccc1-c1nnn[n-]1 ZINC001571188717 952919847 /nfs/dbraw/zinc/91/98/47/952919847.db2.gz GOFRNVDDPMUUSN-CQSZACIVSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1nc(N[C@@H]2CCCN(C(=O)Cc3ccn(C)n3)C2)ccc1-c1nn[n-]n1 ZINC001571188717 952919851 /nfs/dbraw/zinc/91/98/51/952919851.db2.gz GOFRNVDDPMUUSN-CQSZACIVSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](CNC(=O)c3ccnn3C)[C@H](C)C2)n1 ZINC001571188841 952920815 /nfs/dbraw/zinc/92/08/15/952920815.db2.gz NVGQLHXYDZEHMU-DGCLKSJQSA-N -1 3 381.444 0.806 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](CNC(=O)c3ccnn3C)[C@H](C)C2)n1 ZINC001571188841 952920819 /nfs/dbraw/zinc/92/08/19/952920819.db2.gz NVGQLHXYDZEHMU-DGCLKSJQSA-N -1 3 381.444 0.806 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCCN2C(=O)Cc2ccn(C)n2)n1 ZINC001571188854 952920950 /nfs/dbraw/zinc/92/09/50/952920950.db2.gz OEMMZOYLGYATCS-AWEZNQCLSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCCN2C(=O)Cc2ccn(C)n2)n1 ZINC001571188854 952920952 /nfs/dbraw/zinc/92/09/52/952920952.db2.gz OEMMZOYLGYATCS-AWEZNQCLSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)[C@@H](C)c3cnn(C)c3)C2)n1 ZINC001571188885 952922018 /nfs/dbraw/zinc/92/20/18/952922018.db2.gz OVHQSYOHOFYHKV-JSGCOSHPSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)[C@@H](C)c3cnn(C)c3)C2)n1 ZINC001571188885 952922024 /nfs/dbraw/zinc/92/20/24/952922024.db2.gz OVHQSYOHOFYHKV-JSGCOSHPSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1nsc(NC[C@H]2CN(C(=O)CC(C)(C)O)CCO2)c1-c1nnn[n-]1 ZINC001571188962 952922746 /nfs/dbraw/zinc/92/27/46/952922746.db2.gz KVOWYZMRJNILRY-JTQLQIEISA-N -1 3 381.462 0.432 20 0 GCADHM Cc1ccnn1CC(=O)N(C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571189105 952924320 /nfs/dbraw/zinc/92/43/20/952924320.db2.gz SCECFULTBUBKEZ-UHFFFAOYSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ccnn1CC(=O)N(C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571189105 952924325 /nfs/dbraw/zinc/92/43/25/952924325.db2.gz SCECFULTBUBKEZ-UHFFFAOYSA-N -1 3 381.444 0.894 20 0 GCADHM CO[C@@H](C)C(=O)N1CCC(O)(CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001571189384 952929451 /nfs/dbraw/zinc/92/94/51/952929451.db2.gz QQJPHRZXNJPIRI-JTQLQIEISA-N -1 3 381.462 0.432 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CN(c3ncccc3-c3nnn[n-]3)CC2(C)C)n(C)n1 ZINC001571189627 952931808 /nfs/dbraw/zinc/93/18/08/952931808.db2.gz ZBHVALBWTQHUJJ-AWEZNQCLSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CN(c3ncccc3-c3nn[n-]n3)CC2(C)C)n(C)n1 ZINC001571189627 952931810 /nfs/dbraw/zinc/93/18/10/952931810.db2.gz ZBHVALBWTQHUJJ-AWEZNQCLSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001571189784 952934952 /nfs/dbraw/zinc/93/49/52/952934952.db2.gz UQGXUSKZXIVEIY-WFASDCNBSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nn(C)cc1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001571189784 952934956 /nfs/dbraw/zinc/93/49/56/952934956.db2.gz UQGXUSKZXIVEIY-WFASDCNBSA-N -1 3 381.444 0.948 20 0 GCADHM C[C@@H](NC(=O)NC(C)(C)CNS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571189905 952937381 /nfs/dbraw/zinc/93/73/81/952937381.db2.gz YZKUIIVPDWIAMZ-SNVBAGLBSA-N -1 3 381.462 0.555 20 0 GCADHM C[C@@H](NC(=O)NC(C)(C)CNS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571189905 952937385 /nfs/dbraw/zinc/93/73/85/952937385.db2.gz YZKUIIVPDWIAMZ-SNVBAGLBSA-N -1 3 381.462 0.555 20 0 GCADHM COC(=O)[C@@H]1C[C@H](O)CN(c2cc(Br)ccc2-c2nnn[n-]2)C1 ZINC001571190814 952944574 /nfs/dbraw/zinc/94/45/74/952944574.db2.gz MSHMLDBURQNMNE-SCZZXKLOSA-N -1 3 382.218 0.989 20 0 GCADHM COC(=O)[C@@H]1C[C@H](O)CN(c2cc(Br)ccc2-c2nn[n-]n2)C1 ZINC001571190814 952944578 /nfs/dbraw/zinc/94/45/78/952944578.db2.gz MSHMLDBURQNMNE-SCZZXKLOSA-N -1 3 382.218 0.989 20 0 GCADHM O=C(N[C@@H](CO)[C@@H]1CCOC1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001571192849 952950222 /nfs/dbraw/zinc/95/02/22/952950222.db2.gz XHSNLWGIWSLNLJ-PELKAZGASA-N -1 3 382.218 0.756 20 0 GCADHM O=C(N[C@@H](CO)[C@@H]1CCOC1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001571192849 952950228 /nfs/dbraw/zinc/95/02/28/952950228.db2.gz XHSNLWGIWSLNLJ-PELKAZGASA-N -1 3 382.218 0.756 20 0 GCADHM C[C@@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc[nH]c1=O ZINC001571193766 952951906 /nfs/dbraw/zinc/95/19/06/952951906.db2.gz BVKHUAQJZFDCEL-NXEZZACHSA-N -1 3 382.388 0.258 20 0 GCADHM 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O=C(Cc1nnc[nH]1)N1CCCCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571210755 953074073 /nfs/dbraw/zinc/07/40/73/953074073.db2.gz WHUVRCKZSLJYJM-LBPRGKRZSA-N -1 3 382.432 0.806 20 0 GCADHM O=C(CCn1cncn1)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571210794 953074340 /nfs/dbraw/zinc/07/43/40/953074340.db2.gz XHEOKYZPTWEXKM-CYBMUJFWSA-N -1 3 382.432 0.594 20 0 GCADHM O=C(CCn1cncn1)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571210794 953074343 /nfs/dbraw/zinc/07/43/43/953074343.db2.gz XHEOKYZPTWEXKM-CYBMUJFWSA-N -1 3 382.432 0.594 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@H](C)C1 ZINC001571211410 953076233 /nfs/dbraw/zinc/07/62/33/953076233.db2.gz ADRGABNFAWQMKR-DGCLKSJQSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@H](C)C1 ZINC001571211410 953076234 /nfs/dbraw/zinc/07/62/34/953076234.db2.gz ADRGABNFAWQMKR-DGCLKSJQSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)c(C)n3)C2)[nH]1 ZINC001571211416 953076397 /nfs/dbraw/zinc/07/63/97/953076397.db2.gz AJPUZSCDVUSRFU-GFCCVEGCSA-N -1 3 382.432 0.276 20 0 GCADHM O=C(Cn1cncn1)N[C@@H]1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571210911 953076548 /nfs/dbraw/zinc/07/65/48/953076548.db2.gz ZXGGXMPWWMCRHU-TZMCWYRMSA-N -1 3 382.432 0.640 20 0 GCADHM O=C(Cn1cncn1)N[C@@H]1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571210911 953076550 /nfs/dbraw/zinc/07/65/50/953076550.db2.gz ZXGGXMPWWMCRHU-TZMCWYRMSA-N -1 3 382.432 0.640 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2ccnc(-c3nnn[n-]3)n2)[nH]n1 ZINC001571211870 953082157 /nfs/dbraw/zinc/08/21/57/953082157.db2.gz HPDNPNLUJIIFRM-YPMHNXCESA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2ccnc(-c3nnn[n-]3)n2)n[nH]1 ZINC001571211870 953082160 /nfs/dbraw/zinc/08/21/60/953082160.db2.gz HPDNPNLUJIIFRM-YPMHNXCESA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571211870 953082163 /nfs/dbraw/zinc/08/21/63/953082163.db2.gz HPDNPNLUJIIFRM-YPMHNXCESA-N -1 3 382.432 0.605 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)n[nH]1 ZINC001571211870 953082166 /nfs/dbraw/zinc/08/21/66/953082166.db2.gz HPDNPNLUJIIFRM-YPMHNXCESA-N -1 3 382.432 0.605 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571212132 953084754 /nfs/dbraw/zinc/08/47/54/953084754.db2.gz JLIDFIGIYZWCOH-CABZTGNLSA-N -1 3 382.432 0.784 20 0 GCADHM Cc1nccn1CC(=O)N1CCC(CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571212201 953085158 /nfs/dbraw/zinc/08/51/58/953085158.db2.gz LDGFSTOZAPJOKO-UHFFFAOYSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1nccn1CC(=O)N1CCC(CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571212201 953085163 /nfs/dbraw/zinc/08/51/63/953085163.db2.gz LDGFSTOZAPJOKO-UHFFFAOYSA-N -1 3 382.432 0.512 20 0 GCADHM Nc1sc2c(c1-c1nnn[n-]1)CCN(C(=O)[C@@H]1CCCCS1(=O)=O)C2 ZINC001571212216 953085998 /nfs/dbraw/zinc/08/59/98/953085998.db2.gz JILUZEDVSYQYOY-JTQLQIEISA-N -1 3 382.471 0.362 20 0 GCADHM Nc1sc2c(c1-c1nn[n-]n1)CCN(C(=O)[C@@H]1CCCCS1(=O)=O)C2 ZINC001571212216 953086002 /nfs/dbraw/zinc/08/60/02/953086002.db2.gz JILUZEDVSYQYOY-JTQLQIEISA-N -1 3 382.471 0.362 20 0 GCADHM Cn1cnc(C(=O)N2CCCC[C@H]2CCNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571212326 953087021 /nfs/dbraw/zinc/08/70/21/953087021.db2.gz LPMVTEVUSXHFSX-ZDUSSCGKSA-N -1 3 382.432 0.887 20 0 GCADHM Cn1cnc(C(=O)N2CCCC[C@H]2CCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571212326 953087023 /nfs/dbraw/zinc/08/70/23/953087023.db2.gz LPMVTEVUSXHFSX-ZDUSSCGKSA-N -1 3 382.432 0.887 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571212358 953087049 /nfs/dbraw/zinc/08/70/49/953087049.db2.gz MKWHIBKSTJNGSC-CHWSQXEVSA-N -1 3 382.432 0.701 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571212358 953087050 /nfs/dbraw/zinc/08/70/50/953087050.db2.gz MKWHIBKSTJNGSC-CHWSQXEVSA-N -1 3 382.432 0.701 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCCN2C(=O)CCn2ccnn2)n1 ZINC001571212675 953089697 /nfs/dbraw/zinc/08/96/97/953089697.db2.gz NZAFHFZMEMDYQJ-ZDUSSCGKSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCCN2C(=O)CCn2ccnn2)n1 ZINC001571212675 953089699 /nfs/dbraw/zinc/08/96/99/953089699.db2.gz NZAFHFZMEMDYQJ-ZDUSSCGKSA-N -1 3 382.432 0.655 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)[C@H](C)C2)[nH]1 ZINC001571212770 953090286 /nfs/dbraw/zinc/09/02/86/953090286.db2.gz OYSDMOQEGRLGMV-MFKMUULPSA-N -1 3 382.432 0.580 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)[C@H](C)C2)[nH]1 ZINC001571212770 953090289 /nfs/dbraw/zinc/09/02/89/953090289.db2.gz OYSDMOQEGRLGMV-MFKMUULPSA-N -1 3 382.432 0.580 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@H](CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571212839 953090436 /nfs/dbraw/zinc/09/04/36/953090436.db2.gz POTHPRIZEFHDLG-CYBMUJFWSA-N -1 3 382.432 0.147 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@H](CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571212839 953090439 /nfs/dbraw/zinc/09/04/39/953090439.db2.gz POTHPRIZEFHDLG-CYBMUJFWSA-N -1 3 382.432 0.147 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)nnn1C ZINC001571213147 953093355 /nfs/dbraw/zinc/09/33/55/953093355.db2.gz RJEFIFDHGKQMKN-LBPRGKRZSA-N -1 3 382.432 0.406 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)nnn1C ZINC001571213147 953093359 /nfs/dbraw/zinc/09/33/59/953093359.db2.gz RJEFIFDHGKQMKN-LBPRGKRZSA-N -1 3 382.432 0.406 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCC(CN(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001571213505 953094976 /nfs/dbraw/zinc/09/49/76/953094976.db2.gz VISDETNPOMTQOH-UHFFFAOYSA-N -1 3 382.432 0.677 20 0 GCADHM Cc1[nH]nc(NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)c1-c1nnn[n-]1 ZINC001571217684 953110270 /nfs/dbraw/zinc/11/02/70/953110270.db2.gz HYVYVSIYPIYIIT-UHFFFAOYSA-N -1 3 382.793 0.602 20 0 GCADHM COC[C@@H](C(N)=O)N(C)C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001571218047 953113333 /nfs/dbraw/zinc/11/33/33/953113333.db2.gz KSPCGCFWYJVWOH-VIFPVBQESA-N -1 3 383.206 0.202 20 0 GCADHM COC[C@@H](C(N)=O)N(C)C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001571218047 953113337 /nfs/dbraw/zinc/11/33/37/953113337.db2.gz KSPCGCFWYJVWOH-VIFPVBQESA-N -1 3 383.206 0.202 20 0 GCADHM O=C(CCc1cncnc1)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571218591 953116849 /nfs/dbraw/zinc/11/68/49/953116849.db2.gz CALSWYGMTRYQPW-ZDUSSCGKSA-N -1 3 383.391 0.836 20 0 GCADHM O=C(CCc1cncnc1)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571218591 953116852 /nfs/dbraw/zinc/11/68/52/953116852.db2.gz CALSWYGMTRYQPW-ZDUSSCGKSA-N -1 3 383.391 0.836 20 0 GCADHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)NCCN1CCCS1(=O)=O ZINC001571218647 953118305 /nfs/dbraw/zinc/11/83/05/953118305.db2.gz CWHDMNKWJJGHLS-UHFFFAOYSA-N -1 3 383.409 0.471 20 0 GCADHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)NCCN1CCCS1(=O)=O ZINC001571218647 953118307 /nfs/dbraw/zinc/11/83/07/953118307.db2.gz CWHDMNKWJJGHLS-UHFFFAOYSA-N -1 3 383.409 0.471 20 0 GCADHM Cn1c(=O)cccc1C(=O)NC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571218713 953118321 /nfs/dbraw/zinc/11/83/21/953118321.db2.gz ZMHXLBUTFWAKNX-UHFFFAOYSA-N -1 3 383.387 0.319 20 0 GCADHM Cn1c(=O)cccc1C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571218713 953118322 /nfs/dbraw/zinc/11/83/22/953118322.db2.gz ZMHXLBUTFWAKNX-UHFFFAOYSA-N -1 3 383.387 0.319 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)[C@H](F)c1ccccc1 ZINC001571218730 953119151 /nfs/dbraw/zinc/11/91/51/953119151.db2.gz ZVTIDIIKNTYXON-QLFBSQMISA-N -1 3 383.387 0.638 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)[C@H](F)c1ccccc1 ZINC001571218730 953119154 /nfs/dbraw/zinc/11/91/54/953119154.db2.gz ZVTIDIIKNTYXON-QLFBSQMISA-N -1 3 383.387 0.638 20 0 GCADHM O=C(c1nc[nH]n1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571218815 953119601 /nfs/dbraw/zinc/11/96/01/953119601.db2.gz FBQQQXLKBAPOMN-TXEJJXNPSA-N -1 3 383.391 0.613 20 0 GCADHM O=C(c1nc[nH]n1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571218815 953119604 /nfs/dbraw/zinc/11/96/04/953119604.db2.gz FBQQQXLKBAPOMN-TXEJJXNPSA-N -1 3 383.391 0.613 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001571218923 953120822 /nfs/dbraw/zinc/12/08/22/953120822.db2.gz HEKDVUJBARDKTO-HUUCEWRRSA-N -1 3 383.412 0.958 20 0 GCADHM CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001571218923 953120824 /nfs/dbraw/zinc/12/08/24/953120824.db2.gz HEKDVUJBARDKTO-HUUCEWRRSA-N -1 3 383.412 0.958 20 0 GCADHM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001571218996 953121747 /nfs/dbraw/zinc/12/17/47/953121747.db2.gz JAUSGIRJQLWPJJ-LLVKDONJSA-N -1 3 383.409 0.088 20 0 GCADHM CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001571218996 953121749 /nfs/dbraw/zinc/12/17/49/953121749.db2.gz JAUSGIRJQLWPJJ-LLVKDONJSA-N -1 3 383.409 0.088 20 0 GCADHM O=C(NC[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F)c1cccnn1 ZINC001571219167 953123218 /nfs/dbraw/zinc/12/32/18/953123218.db2.gz KZILMFDEFDUVIP-GFCCVEGCSA-N -1 3 383.391 0.980 20 0 GCADHM O=C(NC[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F)c1cccnn1 ZINC001571219167 953123220 /nfs/dbraw/zinc/12/32/20/953123220.db2.gz KZILMFDEFDUVIP-GFCCVEGCSA-N -1 3 383.391 0.980 20 0 GCADHM COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571219157 953123330 /nfs/dbraw/zinc/12/33/30/953123330.db2.gz KPTDOHMOEVOGMY-NXEZZACHSA-N -1 3 383.405 0.826 20 0 GCADHM O=C1C[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)CN1C1CC1 ZINC001571219135 953123504 /nfs/dbraw/zinc/12/35/04/953123504.db2.gz WDHDYODLBGJWHE-QMMMGPOBSA-N -1 3 382.833 0.562 20 0 GCADHM O=C1C[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)CN1C1CC1 ZINC001571219135 953123506 /nfs/dbraw/zinc/12/35/06/953123506.db2.gz WDHDYODLBGJWHE-QMMMGPOBSA-N -1 3 382.833 0.562 20 0 GCADHM O=C(NC[C@@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F)c1cccnn1 ZINC001571219168 953123562 /nfs/dbraw/zinc/12/35/62/953123562.db2.gz KZILMFDEFDUVIP-LBPRGKRZSA-N -1 3 383.391 0.980 20 0 GCADHM O=C(NC[C@@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F)c1cccnn1 ZINC001571219168 953123565 /nfs/dbraw/zinc/12/35/65/953123565.db2.gz KZILMFDEFDUVIP-LBPRGKRZSA-N -1 3 383.391 0.980 20 0 GCADHM COCc1nocc1C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571219160 953123782 /nfs/dbraw/zinc/12/37/82/953123782.db2.gz KTBFMQZRJUQVJT-UHFFFAOYSA-N -1 3 383.412 0.959 20 0 GCADHM COCc1nocc1C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571219160 953123783 /nfs/dbraw/zinc/12/37/83/953123783.db2.gz KTBFMQZRJUQVJT-UHFFFAOYSA-N -1 3 383.412 0.959 20 0 GCADHM CCCc1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571219230 953124170 /nfs/dbraw/zinc/12/41/70/953124170.db2.gz MULJZDZSCAUPNW-ZIAGYGMSSA-N -1 3 383.412 0.787 20 0 GCADHM CCCc1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571219230 953124173 /nfs/dbraw/zinc/12/41/73/953124173.db2.gz MULJZDZSCAUPNW-ZIAGYGMSSA-N -1 3 383.412 0.787 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@@H]2[C@H](CCN2c2cnc(F)cn2)C1 ZINC001571219911 953127272 /nfs/dbraw/zinc/12/72/72/953127272.db2.gz SRUUOYXZOHQQDF-ZWNOBZJWSA-N -1 3 383.391 0.865 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@@H]2[C@H](CCN2c2cnc(F)cn2)C1 ZINC001571219911 953127275 /nfs/dbraw/zinc/12/72/75/953127275.db2.gz SRUUOYXZOHQQDF-ZWNOBZJWSA-N -1 3 383.391 0.865 20 0 GCADHM CNC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001571219780 953127349 /nfs/dbraw/zinc/12/73/49/953127349.db2.gz SMKZLMXQWIZYNQ-UHFFFAOYSA-N -1 3 383.409 0.088 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)[C@H](C)c1ccco1 ZINC001571219779 953127367 /nfs/dbraw/zinc/12/73/67/953127367.db2.gz SLWILPKKWUMPAM-UXIGCNINSA-N -1 3 383.412 0.978 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)[C@H](C)c1ccco1 ZINC001571219779 953127368 /nfs/dbraw/zinc/12/73/68/953127368.db2.gz SLWILPKKWUMPAM-UXIGCNINSA-N -1 3 383.412 0.978 20 0 GCADHM O=C(c1nc[nH]n1)N1CCC[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001571219921 953127678 /nfs/dbraw/zinc/12/76/78/953127678.db2.gz SZKHWXGJAYQWQX-GXFFZTMASA-N -1 3 383.391 0.865 20 0 GCADHM O=C(c1nc[nH]n1)N1CCC[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001571219921 953127681 /nfs/dbraw/zinc/12/76/81/953127681.db2.gz SZKHWXGJAYQWQX-GXFFZTMASA-N -1 3 383.391 0.865 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)CCc2ccco2)C1 ZINC001571219966 953128832 /nfs/dbraw/zinc/12/88/32/953128832.db2.gz VQFSXRFZJOCEDW-LLVKDONJSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)CCc2ccco2)C1 ZINC001571219966 953128836 /nfs/dbraw/zinc/12/88/36/953128836.db2.gz VQFSXRFZJOCEDW-LLVKDONJSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571220233 953129056 /nfs/dbraw/zinc/12/90/56/953129056.db2.gz ZNNANQQZMBAMGT-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571220233 953129059 /nfs/dbraw/zinc/12/90/59/953129059.db2.gz ZNNANQQZMBAMGT-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM Cn1cc(C(=O)N2C[C@H]3CN(c4cccc(F)c4-c4nnn[n-]4)C[C@H]3C2)nn1 ZINC001571220263 953129361 /nfs/dbraw/zinc/12/93/61/953129361.db2.gz ZWZZCBHGSVFTEV-PHIMTYICSA-N -1 3 383.391 0.343 20 0 GCADHM Cn1cc(C(=O)N2C[C@H]3CN(c4cccc(F)c4-c4nn[n-]n4)C[C@H]3C2)nn1 ZINC001571220263 953129363 /nfs/dbraw/zinc/12/93/63/953129363.db2.gz ZWZZCBHGSVFTEV-PHIMTYICSA-N -1 3 383.391 0.343 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cncn1C ZINC001571222035 953130919 /nfs/dbraw/zinc/13/09/19/953130919.db2.gz AIKVVVFZHFWBLQ-WCQYABFASA-N -1 3 383.416 0.351 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cncn1C ZINC001571222035 953130924 /nfs/dbraw/zinc/13/09/24/953130924.db2.gz AIKVVVFZHFWBLQ-WCQYABFASA-N -1 3 383.416 0.351 20 0 GCADHM COc1nn(C)cc1C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571222251 953132752 /nfs/dbraw/zinc/13/27/52/953132752.db2.gz BJRCNBGNOLJXMB-XYPYZODXSA-N -1 3 383.416 0.624 20 0 GCADHM COc1nn(C)cc1C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571222251 953132754 /nfs/dbraw/zinc/13/27/54/953132754.db2.gz BJRCNBGNOLJXMB-XYPYZODXSA-N -1 3 383.416 0.624 20 0 GCADHM CCc1nn(C)cc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222348 953133787 /nfs/dbraw/zinc/13/37/87/953133787.db2.gz DVOQISPRCXBFKC-PHIMTYICSA-N -1 3 383.416 0.182 20 0 GCADHM CCc1nn(C)cc1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222348 953133790 /nfs/dbraw/zinc/13/37/90/953133790.db2.gz DVOQISPRCXBFKC-PHIMTYICSA-N -1 3 383.416 0.182 20 0 GCADHM CCc1nc[nH]c1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571222419 953133967 /nfs/dbraw/zinc/13/39/67/953133967.db2.gz FCEDDCYZKBSWDP-UWVGGRQHSA-N -1 3 383.416 0.513 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)Cn1ccnc1 ZINC001571222383 953134017 /nfs/dbraw/zinc/13/40/17/953134017.db2.gz HMQHPLLZNZDEIE-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)Cn1ccnc1 ZINC001571222383 953134020 /nfs/dbraw/zinc/13/40/20/953134020.db2.gz HMQHPLLZNZDEIE-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)o1 ZINC001571222398 953134058 /nfs/dbraw/zinc/13/40/58/953134058.db2.gz HVDOZYKQKIJUTJ-CABCVRRESA-N -1 3 383.412 0.462 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)o1 ZINC001571222398 953134061 /nfs/dbraw/zinc/13/40/61/953134061.db2.gz HVDOZYKQKIJUTJ-CABCVRRESA-N -1 3 383.412 0.462 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cn[nH]c2)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571222349 953134138 /nfs/dbraw/zinc/13/41/38/953134138.db2.gz DWZZVQNLIPYOFP-LLVKDONJSA-N -1 3 383.416 0.542 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)c2cn[nH]c2)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571222349 953134140 /nfs/dbraw/zinc/13/41/40/953134140.db2.gz DWZZVQNLIPYOFP-LLVKDONJSA-N -1 3 383.416 0.542 20 0 GCADHM COCc1cc(NC[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)ncn1 ZINC001571222447 953134723 /nfs/dbraw/zinc/13/47/23/953134723.db2.gz FVVYWDHQHWSASO-NSHDSACASA-N -1 3 383.416 0.705 20 0 GCADHM COCc1cc(NC[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)ncn1 ZINC001571222447 953134727 /nfs/dbraw/zinc/13/47/27/953134727.db2.gz FVVYWDHQHWSASO-NSHDSACASA-N -1 3 383.416 0.705 20 0 GCADHM COc1cc(C)nc(NC[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571222483 953134861 /nfs/dbraw/zinc/13/48/61/953134861.db2.gz GJUSJVFMKXTOKY-UMSPYCQHSA-N -1 3 383.416 0.922 20 0 GCADHM COc1cc(C)nc(NC[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571222483 953134862 /nfs/dbraw/zinc/13/48/62/953134862.db2.gz GJUSJVFMKXTOKY-UMSPYCQHSA-N -1 3 383.416 0.922 20 0 GCADHM CCn1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H]2C)n1 ZINC001571222441 953135043 /nfs/dbraw/zinc/13/50/43/953135043.db2.gz FSYVMVKZAOXCRT-MNOVXSKESA-N -1 3 383.416 0.444 20 0 GCADHM CCn1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H]2C)n1 ZINC001571222441 953135049 /nfs/dbraw/zinc/13/50/49/953135049.db2.gz FSYVMVKZAOXCRT-MNOVXSKESA-N -1 3 383.416 0.444 20 0 GCADHM COCCn1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571222431 953135056 /nfs/dbraw/zinc/13/50/56/953135056.db2.gz FJKXHMYSKFTYGU-ZDUSSCGKSA-N -1 3 383.416 0.431 20 0 GCADHM COCCn1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571222431 953135059 /nfs/dbraw/zinc/13/50/59/953135059.db2.gz FJKXHMYSKFTYGU-ZDUSSCGKSA-N -1 3 383.416 0.431 20 0 GCADHM O=C(C1=COCCO1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571222555 953136185 /nfs/dbraw/zinc/13/61/85/953136185.db2.gz IXYLXUZYPRWKQA-GJZGRUSLSA-N -1 3 383.412 0.720 20 0 GCADHM O=C(C1=COCCO1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571222555 953136186 /nfs/dbraw/zinc/13/61/86/953136186.db2.gz IXYLXUZYPRWKQA-GJZGRUSLSA-N -1 3 383.412 0.720 20 0 GCADHM Cc1ccoc1CC(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571222625 953136786 /nfs/dbraw/zinc/13/67/86/953136786.db2.gz KFRGOGLKYGVFAG-KGLIPLIRSA-N -1 3 383.412 0.380 20 0 GCADHM Cc1ccoc1CC(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571222625 953136788 /nfs/dbraw/zinc/13/67/88/953136788.db2.gz KFRGOGLKYGVFAG-KGLIPLIRSA-N -1 3 383.412 0.380 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222650 953136884 /nfs/dbraw/zinc/13/68/84/953136884.db2.gz IGNTXWYICFIQPY-VIFPVBQESA-N -1 3 383.416 0.371 20 0 GCADHM Cc1nc[nH]c1C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571222621 953136973 /nfs/dbraw/zinc/13/69/73/953136973.db2.gz IAOSEMPOVJVHFV-BXKDBHETSA-N -1 3 383.416 0.364 20 0 GCADHM Cc1nc[nH]c1C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571222621 953136975 /nfs/dbraw/zinc/13/69/75/953136975.db2.gz IAOSEMPOVJVHFV-BXKDBHETSA-N -1 3 383.416 0.364 20 0 GCADHM CCn1nccc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222682 953137724 /nfs/dbraw/zinc/13/77/24/953137724.db2.gz IYQSNVHLBBUGCV-SNVBAGLBSA-N -1 3 383.416 0.302 20 0 GCADHM CCn1nccc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222682 953137725 /nfs/dbraw/zinc/13/77/25/953137725.db2.gz IYQSNVHLBBUGCV-SNVBAGLBSA-N -1 3 383.416 0.302 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222670 953137924 /nfs/dbraw/zinc/13/79/24/953137924.db2.gz IMDYPBVKZNSPTQ-GFCCVEGCSA-N -1 3 383.416 0.142 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222670 953137925 /nfs/dbraw/zinc/13/79/25/953137925.db2.gz IMDYPBVKZNSPTQ-GFCCVEGCSA-N -1 3 383.416 0.142 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001571222881 953139502 /nfs/dbraw/zinc/13/95/02/953139502.db2.gz MSHWSKBGIYGOGF-GHMZBOCLSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001571222881 953139505 /nfs/dbraw/zinc/13/95/05/953139505.db2.gz MSHWSKBGIYGOGF-GHMZBOCLSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)Cn2cccn2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222831 953139563 /nfs/dbraw/zinc/13/95/63/953139563.db2.gz LQROBMURGPVOIZ-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)Cn2cccn2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222831 953139566 /nfs/dbraw/zinc/13/95/66/953139566.db2.gz LQROBMURGPVOIZ-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001571222882 953139921 /nfs/dbraw/zinc/13/99/21/953139921.db2.gz MSHWSKBGIYGOGF-MNOVXSKESA-N -1 3 383.416 0.664 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001571222882 953139923 /nfs/dbraw/zinc/13/99/23/953139923.db2.gz MSHWSKBGIYGOGF-MNOVXSKESA-N -1 3 383.416 0.664 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)c1ccnn1C ZINC001571222923 953140882 /nfs/dbraw/zinc/14/08/82/953140882.db2.gz NRJIUDADIKONBN-GHMZBOCLSA-N -1 3 383.416 0.066 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)c1ccnn1C ZINC001571222923 953140883 /nfs/dbraw/zinc/14/08/83/953140883.db2.gz NRJIUDADIKONBN-GHMZBOCLSA-N -1 3 383.416 0.066 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001571223034 953140956 /nfs/dbraw/zinc/14/09/56/953140956.db2.gz PMDNVYUZYBJUPZ-CYBMUJFWSA-N -1 3 383.416 0.008 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223134 953141236 /nfs/dbraw/zinc/14/12/36/953141236.db2.gz OAWBLZNOJXVZBE-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223134 953141238 /nfs/dbraw/zinc/14/12/38/953141238.db2.gz OAWBLZNOJXVZBE-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM COc1cc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)nn1C ZINC001571223059 953141312 /nfs/dbraw/zinc/14/13/12/953141312.db2.gz PVDJXFOBNPBEOT-UHFFFAOYSA-N -1 3 383.416 0.356 20 0 GCADHM COc1cc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)nn1C ZINC001571223059 953141318 /nfs/dbraw/zinc/14/13/18/953141318.db2.gz PVDJXFOBNPBEOT-UHFFFAOYSA-N -1 3 383.416 0.356 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001571223036 953141618 /nfs/dbraw/zinc/14/16/18/953141618.db2.gz PMDNVYUZYBJUPZ-ZDUSSCGKSA-N -1 3 383.416 0.008 20 0 GCADHM CCn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1C ZINC001571223088 953141742 /nfs/dbraw/zinc/14/17/42/953141742.db2.gz QCZJDGYIXBLSHB-PHIMTYICSA-N -1 3 383.416 0.410 20 0 GCADHM CCn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1C ZINC001571223088 953141745 /nfs/dbraw/zinc/14/17/45/953141745.db2.gz QCZJDGYIXBLSHB-PHIMTYICSA-N -1 3 383.416 0.410 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571223182 953142170 /nfs/dbraw/zinc/14/21/70/953142170.db2.gz PFKITUVJJSPMGS-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cc[nH]n2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223182 953142174 /nfs/dbraw/zinc/14/21/74/953142174.db2.gz PFKITUVJJSPMGS-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223287 953142923 /nfs/dbraw/zinc/14/29/23/953142923.db2.gz SIQNZOWSIJCUPL-LLVKDONJSA-N -1 3 383.416 0.467 20 0 GCADHM CCc1nc[nH]c1C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223287 953142928 /nfs/dbraw/zinc/14/29/28/953142928.db2.gz SIQNZOWSIJCUPL-LLVKDONJSA-N -1 3 383.416 0.467 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001571223317 953143104 /nfs/dbraw/zinc/14/31/04/953143104.db2.gz SVXYZGDWLDYWQN-ONGXEEELSA-N -1 3 383.416 0.188 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571223317 953143107 /nfs/dbraw/zinc/14/31/07/953143107.db2.gz SVXYZGDWLDYWQN-ONGXEEELSA-N -1 3 383.416 0.188 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(C)n1 ZINC001571223268 953143134 /nfs/dbraw/zinc/14/31/34/953143134.db2.gz SAJXVMUNULOOGR-LBPRGKRZSA-N -1 3 383.416 0.364 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(C)n1 ZINC001571223268 953143137 /nfs/dbraw/zinc/14/31/37/953143137.db2.gz SAJXVMUNULOOGR-LBPRGKRZSA-N -1 3 383.416 0.364 20 0 GCADHM CCn1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571223253 953143594 /nfs/dbraw/zinc/14/35/94/953143594.db2.gz RVACXYUPIJRKFH-UMSPYCQHSA-N -1 3 383.416 0.350 20 0 GCADHM CCn1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571223253 953143598 /nfs/dbraw/zinc/14/35/98/953143598.db2.gz RVACXYUPIJRKFH-UMSPYCQHSA-N -1 3 383.416 0.350 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1ncc[nH]1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223294 953143607 /nfs/dbraw/zinc/14/36/07/953143607.db2.gz SMFQZCPBEVKNFH-GFCCVEGCSA-N -1 3 383.416 0.685 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1ncc[nH]1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223294 953143610 /nfs/dbraw/zinc/14/36/10/953143610.db2.gz SMFQZCPBEVKNFH-GFCCVEGCSA-N -1 3 383.416 0.685 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2COC(=O)C2)ccc1-c1nnn[n-]1 ZINC001571223515 953144906 /nfs/dbraw/zinc/14/49/06/953144906.db2.gz SJMMFAWSSIPOAU-AGIUHOORSA-N -1 3 383.412 0.313 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2COC(=O)C2)ccc1-c1nn[n-]n1 ZINC001571223515 953144908 /nfs/dbraw/zinc/14/49/08/953144908.db2.gz SJMMFAWSSIPOAU-AGIUHOORSA-N -1 3 383.412 0.313 20 0 GCADHM COCc1nc(C)cc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571223551 953145357 /nfs/dbraw/zinc/14/53/57/953145357.db2.gz VAOYZTRXLUOWIJ-LBPRGKRZSA-N -1 3 383.416 0.448 20 0 GCADHM COCc1nc(C)cc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571223551 953145359 /nfs/dbraw/zinc/14/53/59/953145359.db2.gz VAOYZTRXLUOWIJ-LBPRGKRZSA-N -1 3 383.416 0.448 20 0 GCADHM COc1ccc(CN2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571223577 953145524 /nfs/dbraw/zinc/14/55/24/953145524.db2.gz WEFSFGDGRRVNDL-JTQLQIEISA-N -1 3 383.416 0.244 20 0 GCADHM COc1ccc(CN2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571223577 953145527 /nfs/dbraw/zinc/14/55/27/953145527.db2.gz WEFSFGDGRRVNDL-JTQLQIEISA-N -1 3 383.416 0.244 20 0 GCADHM CN(C(=O)c1cn(C)c(=O)n1C)C1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571223613 953146077 /nfs/dbraw/zinc/14/60/77/953146077.db2.gz XJPHPINTTLODET-UHFFFAOYSA-N -1 3 383.416 0.014 20 0 GCADHM CN(C(=O)c1cn(C)c(=O)n1C)C1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571223613 953146081 /nfs/dbraw/zinc/14/60/81/953146081.db2.gz XJPHPINTTLODET-UHFFFAOYSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001571223806 953146679 /nfs/dbraw/zinc/14/66/79/953146679.db2.gz VSPDGEWJSSTIRE-FZMZJTMJSA-N -1 3 383.416 0.255 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001571223976 953148771 /nfs/dbraw/zinc/14/87/71/953148771.db2.gz WNFVNNYNGOGCOL-MNOVXSKESA-N -1 3 383.416 0.806 20 0 GCADHM C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001571223976 953148773 /nfs/dbraw/zinc/14/87/73/953148773.db2.gz WNFVNNYNGOGCOL-MNOVXSKESA-N -1 3 383.416 0.806 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571223961 953148875 /nfs/dbraw/zinc/14/88/75/953148875.db2.gz WFFQFPCVOOXHJN-QWRGUYRKSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571223961 953148877 /nfs/dbraw/zinc/14/88/77/953148877.db2.gz WFFQFPCVOOXHJN-QWRGUYRKSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)[C@H](C)n2cccn2)C1 ZINC001571224107 953149543 /nfs/dbraw/zinc/14/95/43/953149543.db2.gz YJNRWDIONUAWRX-QWRGUYRKSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)[C@H](C)n2cccn2)C1 ZINC001571224107 953149545 /nfs/dbraw/zinc/14/95/45/953149545.db2.gz YJNRWDIONUAWRX-QWRGUYRKSA-N -1 3 383.416 0.229 20 0 GCADHM Cc1c[nH]c(C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571224584 953149649 /nfs/dbraw/zinc/14/96/49/953149649.db2.gz AEEZENDZRYAJTD-GFCCVEGCSA-N -1 3 383.416 0.651 20 0 GCADHM Cc1c[nH]c(C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571224584 953149650 /nfs/dbraw/zinc/14/96/50/953149650.db2.gz AEEZENDZRYAJTD-GFCCVEGCSA-N -1 3 383.416 0.651 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@H](Nc3ncccc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC001571224921 953151327 /nfs/dbraw/zinc/15/13/27/953151327.db2.gz GNNCVHZVEIRKGZ-ZYHUDNBSSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@H](Nc3ncccc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001571224921 953151328 /nfs/dbraw/zinc/15/13/28/953151328.db2.gz GNNCVHZVEIRKGZ-ZYHUDNBSSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nnn[n-]1 ZINC001571224922 953151416 /nfs/dbraw/zinc/15/14/16/953151416.db2.gz GPBGIJWOXHBBBM-UHFFFAOYSA-N -1 3 383.416 0.630 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nn[n-]n1 ZINC001571224922 953151417 /nfs/dbraw/zinc/15/14/17/953151417.db2.gz GPBGIJWOXHBBBM-UHFFFAOYSA-N -1 3 383.416 0.630 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1C ZINC001571224754 953151500 /nfs/dbraw/zinc/15/15/00/953151500.db2.gz FNPRTERBVPPYRK-LBPRGKRZSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1C ZINC001571224754 953151503 /nfs/dbraw/zinc/15/15/03/953151503.db2.gz FNPRTERBVPPYRK-LBPRGKRZSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571224955 953151795 /nfs/dbraw/zinc/15/17/95/953151795.db2.gz HEUXAWJNMBUWIO-CYBMUJFWSA-N -1 3 383.416 0.039 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571224955 953151798 /nfs/dbraw/zinc/15/17/98/953151798.db2.gz HEUXAWJNMBUWIO-CYBMUJFWSA-N -1 3 383.416 0.039 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571224956 953151876 /nfs/dbraw/zinc/15/18/76/953151876.db2.gz HEUXAWJNMBUWIO-ZDUSSCGKSA-N -1 3 383.416 0.039 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571224956 953151879 /nfs/dbraw/zinc/15/18/79/953151879.db2.gz HEUXAWJNMBUWIO-ZDUSSCGKSA-N -1 3 383.416 0.039 20 0 GCADHM Cc1nccc(N2CCCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571224960 953151884 /nfs/dbraw/zinc/15/18/84/953151884.db2.gz HHNBLWJCLIIMMK-ZDUSSCGKSA-N -1 3 383.416 0.319 20 0 GCADHM Cc1nccc(N2CCCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571224960 953151886 /nfs/dbraw/zinc/15/18/86/953151886.db2.gz HHNBLWJCLIIMMK-ZDUSSCGKSA-N -1 3 383.416 0.319 20 0 GCADHM Cc1nc(C(=O)N(C)C2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c[nH]1 ZINC001571225239 953152484 /nfs/dbraw/zinc/15/24/84/953152484.db2.gz ITRWTYXRGJPPRT-UHFFFAOYSA-N -1 3 383.416 0.603 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001571225579 953152579 /nfs/dbraw/zinc/15/25/79/953152579.db2.gz KFKUVVZSMSULDY-JOYOIKCWSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001571225579 953152581 /nfs/dbraw/zinc/15/25/81/953152581.db2.gz KFKUVVZSMSULDY-JOYOIKCWSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C)o1 ZINC001571225668 953153386 /nfs/dbraw/zinc/15/33/86/953153386.db2.gz NCTPVYKQZHEHOX-JQWIXIFHSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@@H]2C)o1 ZINC001571225668 953153388 /nfs/dbraw/zinc/15/33/88/953153388.db2.gz NCTPVYKQZHEHOX-JQWIXIFHSA-N -1 3 383.416 0.987 20 0 GCADHM Cc1cncn1CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571225657 953153640 /nfs/dbraw/zinc/15/36/40/953153640.db2.gz MOTFNFLYENWMDO-CYBMUJFWSA-N -1 3 383.416 0.073 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC001571225611 953153765 /nfs/dbraw/zinc/15/37/65/953153765.db2.gz LKSCZJAEARRPTJ-LBPRGKRZSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC001571225611 953153768 /nfs/dbraw/zinc/15/37/68/953153768.db2.gz LKSCZJAEARRPTJ-LBPRGKRZSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571225629 953153807 /nfs/dbraw/zinc/15/38/07/953153807.db2.gz LVSSXAGGWWXANA-DGCLKSJQSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1cnn(CC(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571225629 953153808 /nfs/dbraw/zinc/15/38/08/953153808.db2.gz LVSSXAGGWWXANA-DGCLKSJQSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571225937 953154211 /nfs/dbraw/zinc/15/42/11/953154211.db2.gz OPVWEDLYXYMVLY-MNOVXSKESA-N -1 3 383.416 0.724 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)n1 ZINC001571225937 953154214 /nfs/dbraw/zinc/15/42/14/953154214.db2.gz OPVWEDLYXYMVLY-MNOVXSKESA-N -1 3 383.416 0.724 20 0 GCADHM Cc1noc(CCC(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001571226414 953155401 /nfs/dbraw/zinc/15/54/01/953155401.db2.gz QIOBJRQBRKEYAZ-UHFFFAOYSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1noc(CCC(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001571226414 953155402 /nfs/dbraw/zinc/15/54/02/953155402.db2.gz QIOBJRQBRKEYAZ-UHFFFAOYSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H](C)[C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)n1 ZINC001571225957 953155430 /nfs/dbraw/zinc/15/54/30/953155430.db2.gz PBPADDIPVCQIDN-FZMZJTMJSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H](C)[C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)n1 ZINC001571225957 953155431 /nfs/dbraw/zinc/15/54/31/953155431.db2.gz PBPADDIPVCQIDN-FZMZJTMJSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1noc(CN2C[C@@H]3CCC[C@]3(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571226599 953156189 /nfs/dbraw/zinc/15/61/89/953156189.db2.gz SMMSNWSVXHTJRD-GTNSWQLSSA-N -1 3 383.416 0.671 20 0 GCADHM Cc1noc(CN2C[C@@H]3CCC[C@]3(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571226599 953156191 /nfs/dbraw/zinc/15/61/91/953156191.db2.gz SMMSNWSVXHTJRD-GTNSWQLSSA-N -1 3 383.416 0.671 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)[nH]1 ZINC001571226483 953156340 /nfs/dbraw/zinc/15/63/40/953156340.db2.gz SAUXSRPCEKPECI-AMIZOPFISA-N -1 3 383.416 0.425 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)[nH]1 ZINC001571226483 953156342 /nfs/dbraw/zinc/15/63/42/953156342.db2.gz SAUXSRPCEKPECI-AMIZOPFISA-N -1 3 383.416 0.425 20 0 GCADHM Cc1cc(N[C@@H](C)[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)ncn1 ZINC001571226676 953157079 /nfs/dbraw/zinc/15/70/79/953157079.db2.gz VSFVAOLAXDCCLM-SMDDNHRTSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1cc(N[C@@H](C)[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)ncn1 ZINC001571226676 953157082 /nfs/dbraw/zinc/15/70/82/953157082.db2.gz VSFVAOLAXDCCLM-SMDDNHRTSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1cnn(CC(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571226903 953157111 /nfs/dbraw/zinc/15/71/11/953157111.db2.gz WMJFVDRHVZEKEC-CYBMUJFWSA-N -1 3 383.416 0.073 20 0 GCADHM Cc1cnn(CC(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571226903 953157114 /nfs/dbraw/zinc/15/71/14/953157114.db2.gz WMJFVDRHVZEKEC-CYBMUJFWSA-N -1 3 383.416 0.073 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)[C@@H](C)C2)n1 ZINC001571226953 953157412 /nfs/dbraw/zinc/15/74/12/953157412.db2.gz XUDHBJATOCEVBR-HZMBPMFUSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)[C@@H](C)C2)n1 ZINC001571226953 953157416 /nfs/dbraw/zinc/15/74/16/953157416.db2.gz XUDHBJATOCEVBR-HZMBPMFUSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571226956 953157422 /nfs/dbraw/zinc/15/74/22/953157422.db2.gz XUDHBJATOCEVBR-YGRLFVJLSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1noc(CCC(=O)N2C[C@@H](C)[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571226956 953157425 /nfs/dbraw/zinc/15/74/25/953157425.db2.gz XUDHBJATOCEVBR-YGRLFVJLSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001571226961 953157614 /nfs/dbraw/zinc/15/76/14/953157614.db2.gz XUTDTCWZUMKGNU-JOYOIKCWSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001571226961 953157615 /nfs/dbraw/zinc/15/76/15/953157615.db2.gz XUTDTCWZUMKGNU-JOYOIKCWSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571226922 953157815 /nfs/dbraw/zinc/15/78/15/953157815.db2.gz XASJGLIMSRRTTI-LLVKDONJSA-N -1 3 383.416 0.427 20 0 GCADHM Cc1n[nH]c(C)c1C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571226922 953157817 /nfs/dbraw/zinc/15/78/17/953157817.db2.gz XASJGLIMSRRTTI-LLVKDONJSA-N -1 3 383.416 0.427 20 0 GCADHM O=C(NC[C@@H]1CCCCCN1C(=O)c1ncc[nH]1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571227816 953159960 /nfs/dbraw/zinc/15/99/60/953159960.db2.gz CNKHZJNVHRKAJX-NSHDSACASA-N -1 3 383.416 0.733 20 0 GCADHM O=C(NC[C@@H]1CCCCCN1C(=O)c1ncc[nH]1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571227816 953159962 /nfs/dbraw/zinc/15/99/62/953159962.db2.gz CNKHZJNVHRKAJX-NSHDSACASA-N -1 3 383.416 0.733 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CCCCN1C(=O)Cc1nnc[nH]1 ZINC001571228103 953161358 /nfs/dbraw/zinc/16/13/58/953161358.db2.gz INETUABDGLYNFZ-CMPLNLGQSA-N -1 3 383.420 0.199 20 0 GCADHM O=C(CCc1cn[nH]c1)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571228047 953161884 /nfs/dbraw/zinc/16/18/84/953161884.db2.gz GWBZVAMHYMLKIC-CYBMUJFWSA-N -1 3 383.416 0.272 20 0 GCADHM O=C(CCc1cn[nH]c1)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571228047 953161887 /nfs/dbraw/zinc/16/18/87/953161887.db2.gz GWBZVAMHYMLKIC-CYBMUJFWSA-N -1 3 383.416 0.272 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571228133 953162203 /nfs/dbraw/zinc/16/22/03/953162203.db2.gz IXYBWWRKLNDDSL-MWLCHTKSSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571228133 953162209 /nfs/dbraw/zinc/16/22/09/953162209.db2.gz IXYBWWRKLNDDSL-MWLCHTKSSA-N -1 3 383.420 0.082 20 0 GCADHM Cc1nonc1CC(=O)N[C@H]1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571228262 953163156 /nfs/dbraw/zinc/16/31/56/953163156.db2.gz LYDNLSCMIJJXKN-RYUDHWBXSA-N -1 3 383.416 0.893 20 0 GCADHM Cc1nonc1CC(=O)N[C@H]1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571228262 953163157 /nfs/dbraw/zinc/16/31/57/953163157.db2.gz LYDNLSCMIJJXKN-RYUDHWBXSA-N -1 3 383.416 0.893 20 0 GCADHM O=C(Cc1ncc[nH]1)NC1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571228215 953163232 /nfs/dbraw/zinc/16/32/32/953163232.db2.gz KZKSKWJINFRDRE-UHFFFAOYSA-N -1 3 383.416 0.318 20 0 GCADHM O=C(Cc1ncc[nH]1)NC1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571228215 953163234 /nfs/dbraw/zinc/16/32/34/953163234.db2.gz KZKSKWJINFRDRE-UHFFFAOYSA-N -1 3 383.416 0.318 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCO[C@@H](CNCc2ncccn2)C1 ZINC001571228284 953163548 /nfs/dbraw/zinc/16/35/48/953163548.db2.gz MNENYUDFLJLMKH-ZDUSSCGKSA-N -1 3 383.416 0.006 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCO[C@@H](CNCc2ncccn2)C1 ZINC001571228284 953163549 /nfs/dbraw/zinc/16/35/49/953163549.db2.gz MNENYUDFLJLMKH-ZDUSSCGKSA-N -1 3 383.416 0.006 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228579 953165200 /nfs/dbraw/zinc/16/52/00/953165200.db2.gz SJTOIWMPNPJURT-QWRGUYRKSA-N -1 3 383.416 0.175 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228579 953165202 /nfs/dbraw/zinc/16/52/02/953165202.db2.gz SJTOIWMPNPJURT-QWRGUYRKSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001571228790 953165982 /nfs/dbraw/zinc/16/59/82/953165982.db2.gz VOEQDHJLYQUCLC-WCQYABFASA-N -1 3 383.420 0.130 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001571228790 953165986 /nfs/dbraw/zinc/16/59/86/953165986.db2.gz VOEQDHJLYQUCLC-WCQYABFASA-N -1 3 383.420 0.130 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)n(C)c1=O ZINC001571228876 953167915 /nfs/dbraw/zinc/16/79/15/953167915.db2.gz XJGNFSKNVRANPS-GFCCVEGCSA-N -1 3 383.416 0.016 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)n(C)c1=O ZINC001571228876 953167917 /nfs/dbraw/zinc/16/79/17/953167917.db2.gz XJGNFSKNVRANPS-GFCCVEGCSA-N -1 3 383.416 0.016 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCCCN2C(=O)Cc2nnc[nH]2)n1 ZINC001571229198 953168643 /nfs/dbraw/zinc/16/86/43/953168643.db2.gz ATNWBKAEXFQYTB-LLVKDONJSA-N -1 3 383.420 0.119 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)Cc2nnc[nH]2)n1 ZINC001571229198 953168645 /nfs/dbraw/zinc/16/86/45/953168645.db2.gz ATNWBKAEXFQYTB-LLVKDONJSA-N -1 3 383.420 0.119 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CC[C@H](CNC(=O)c3nnn(C)n3)C2)n1 ZINC001571229996 953173071 /nfs/dbraw/zinc/17/30/71/953173071.db2.gz QMSQAFYCGMWUAL-WDEREUQCSA-N -1 3 383.420 0.104 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CC[C@H](CNC(=O)c3nnn(C)n3)C2)n1 ZINC001571229996 953173072 /nfs/dbraw/zinc/17/30/72/953173072.db2.gz QMSQAFYCGMWUAL-WDEREUQCSA-N -1 3 383.420 0.104 20 0 GCADHM Cn1nnc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571230130 953174466 /nfs/dbraw/zinc/17/44/66/953174466.db2.gz SBKADIYMTCRKGD-ZYHUDNBSSA-N -1 3 383.420 0.186 20 0 GCADHM Cn1nnc(C(=O)N[C@@H]2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571230130 953174469 /nfs/dbraw/zinc/17/44/69/953174469.db2.gz SBKADIYMTCRKGD-ZYHUDNBSSA-N -1 3 383.420 0.186 20 0 GCADHM O=C(c1csnn1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571230403 953176893 /nfs/dbraw/zinc/17/68/93/953176893.db2.gz COQGAIPUTDBPOG-KGLIPLIRSA-N -1 3 383.441 0.997 20 0 GCADHM O=C(c1csnn1)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571230403 953176895 /nfs/dbraw/zinc/17/68/95/953176895.db2.gz COQGAIPUTDBPOG-KGLIPLIRSA-N -1 3 383.441 0.997 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001571230507 953177639 /nfs/dbraw/zinc/17/76/39/953177639.db2.gz XEDJFBLOCOFZPV-LLVKDONJSA-N -1 3 383.420 0.201 20 0 GCADHM Cn1nnc(C(=O)N2CCCC[C@H]2CCNc2ncccc2-c2nnn[n-]2)n1 ZINC001571230505 953177645 /nfs/dbraw/zinc/17/76/45/953177645.db2.gz XDOOMSFUULMVGR-NSHDSACASA-N -1 3 383.420 0.282 20 0 GCADHM Cn1nnc(C(=O)N2CCCC[C@H]2CCNc2ncccc2-c2nn[n-]n2)n1 ZINC001571230505 953177646 /nfs/dbraw/zinc/17/76/46/953177646.db2.gz XDOOMSFUULMVGR-NSHDSACASA-N -1 3 383.420 0.282 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571230664 953179070 /nfs/dbraw/zinc/17/90/70/953179070.db2.gz ZKVDPBFBQHZGMK-GFCCVEGCSA-N -1 3 383.420 0.050 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571230664 953179073 /nfs/dbraw/zinc/17/90/73/953179073.db2.gz ZKVDPBFBQHZGMK-GFCCVEGCSA-N -1 3 383.420 0.050 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571230666 953179115 /nfs/dbraw/zinc/17/91/15/953179115.db2.gz ZKVDPBFBQHZGMK-LBPRGKRZSA-N -1 3 383.420 0.050 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCCN(C(=O)CCn3cnnn3)C2)n1 ZINC001571230666 953179118 /nfs/dbraw/zinc/17/91/18/953179118.db2.gz ZKVDPBFBQHZGMK-LBPRGKRZSA-N -1 3 383.420 0.050 20 0 GCADHM O=C(c1cnsn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571230733 953179697 /nfs/dbraw/zinc/17/96/97/953179697.db2.gz IWOLKGHYSCDBBX-TXEJJXNPSA-N -1 3 383.441 0.997 20 0 GCADHM O=C(c1cnsn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571230733 953179698 /nfs/dbraw/zinc/17/96/98/953179698.db2.gz IWOLKGHYSCDBBX-TXEJJXNPSA-N -1 3 383.441 0.997 20 0 GCADHM O=C(c1csnn1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571230950 953182260 /nfs/dbraw/zinc/18/22/60/953182260.db2.gz NZNRYELJDPGUIT-DGCLKSJQSA-N -1 3 383.441 0.854 20 0 GCADHM O=C(c1csnn1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571230950 953182262 /nfs/dbraw/zinc/18/22/62/953182262.db2.gz NZNRYELJDPGUIT-DGCLKSJQSA-N -1 3 383.441 0.854 20 0 GCADHM O=C([C@@H]1CC12CC2)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571232111 953186238 /nfs/dbraw/zinc/18/62/38/953186238.db2.gz BLNOQVDWEGGIDE-CABCVRRESA-N -1 3 383.456 0.852 20 0 GCADHM O=C([C@@H]1CC12CC2)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571232111 953186240 /nfs/dbraw/zinc/18/62/40/953186240.db2.gz BLNOQVDWEGGIDE-CABCVRRESA-N -1 3 383.456 0.852 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)[C@@H]1CC2CCC1CC2 ZINC001571232319 953186696 /nfs/dbraw/zinc/18/66/96/953186696.db2.gz DTXCUGIVJWHXSR-IYKNYXLFSA-N -1 3 383.456 0.754 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)[C@@H]1CC2CCC1CC2 ZINC001571232319 953186700 /nfs/dbraw/zinc/18/67/00/953186700.db2.gz DTXCUGIVJWHXSR-IYKNYXLFSA-N -1 3 383.456 0.754 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)[C@H]1CC2CCC1CC2 ZINC001571232320 953186999 /nfs/dbraw/zinc/18/69/99/953186999.db2.gz DTXCUGIVJWHXSR-MVKYRMLYSA-N -1 3 383.456 0.754 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)[C@H]1CC2CCC1CC2 ZINC001571232320 953187002 /nfs/dbraw/zinc/18/70/02/953187002.db2.gz DTXCUGIVJWHXSR-MVKYRMLYSA-N -1 3 383.456 0.754 20 0 GCADHM C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571232433 953187170 /nfs/dbraw/zinc/18/71/70/953187170.db2.gz FWCZZVNEOOJUIX-FWYOQMDTSA-N -1 3 383.456 0.875 20 0 GCADHM C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571232433 953187172 /nfs/dbraw/zinc/18/71/72/953187172.db2.gz FWCZZVNEOOJUIX-FWYOQMDTSA-N -1 3 383.456 0.875 20 0 GCADHM O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571232485 953187846 /nfs/dbraw/zinc/18/78/46/953187846.db2.gz GILZPFBBAMCTQL-JKSUJKDBSA-N -1 3 383.456 0.973 20 0 GCADHM O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571232485 953187847 /nfs/dbraw/zinc/18/78/47/953187847.db2.gz GILZPFBBAMCTQL-JKSUJKDBSA-N -1 3 383.456 0.973 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571232901 953189084 /nfs/dbraw/zinc/18/90/84/953189084.db2.gz LTRFGUPYYWNYJR-JJXSEGSLSA-N -1 3 383.456 0.672 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571232901 953189087 /nfs/dbraw/zinc/18/90/87/953189087.db2.gz LTRFGUPYYWNYJR-JJXSEGSLSA-N -1 3 383.456 0.672 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nnn[n-]2)n1 ZINC001571233746 953195081 /nfs/dbraw/zinc/19/50/81/953195081.db2.gz CGUJFHVJDJSDPM-UXOAXIEHSA-N -1 3 383.460 0.367 20 0 GCADHM O=C(CC1CC1)N1CC[C@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571234342 953201461 /nfs/dbraw/zinc/20/14/61/953201461.db2.gz UQZCDEMCOWGJLK-AWEZNQCLSA-N -1 3 383.460 0.180 20 0 GCADHM O=C(CC1CC1)N1CC[C@H](N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571234342 953201463 /nfs/dbraw/zinc/20/14/63/953201463.db2.gz UQZCDEMCOWGJLK-AWEZNQCLSA-N -1 3 383.460 0.180 20 0 GCADHM COc1ncc(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)cn1 ZINC001571234554 953203171 /nfs/dbraw/zinc/20/31/71/953203171.db2.gz BLFMCNAYGGEBMM-NSHDSACASA-N -1 3 384.375 0.813 20 0 GCADHM COc1ncc(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)cn1 ZINC001571234554 953203174 /nfs/dbraw/zinc/20/31/74/953203174.db2.gz BLFMCNAYGGEBMM-NSHDSACASA-N -1 3 384.375 0.813 20 0 GCADHM COC(=O)[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccn1)c1ccc(OC)c(O)c1 ZINC001571234673 953204219 /nfs/dbraw/zinc/20/42/19/953204219.db2.gz FSLMEBOFDWJZQS-AWEZNQCLSA-N -1 3 384.352 0.620 20 0 GCADHM COC(=O)[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccn1)c1ccc(OC)c(O)c1 ZINC001571234673 953204220 /nfs/dbraw/zinc/20/42/20/953204220.db2.gz FSLMEBOFDWJZQS-AWEZNQCLSA-N -1 3 384.352 0.620 20 0 GCADHM COc1cncc(C(=O)NC2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)n1 ZINC001571234716 953204612 /nfs/dbraw/zinc/20/46/12/953204612.db2.gz GTHFFELVVYBPAF-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM COc1cncc(C(=O)NC2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)n1 ZINC001571234716 953204614 /nfs/dbraw/zinc/20/46/14/953204614.db2.gz GTHFFELVVYBPAF-UHFFFAOYSA-N -1 3 384.375 0.419 20 0 GCADHM C[C@H](NC(=O)c1ccc(F)cn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571234799 953205333 /nfs/dbraw/zinc/20/53/33/953205333.db2.gz IZUNIVVBJHGKIS-VIFPVBQESA-N -1 3 384.375 0.619 20 0 GCADHM C[C@H](NC(=O)c1ccc(F)cn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571234799 953205335 /nfs/dbraw/zinc/20/53/35/953205335.db2.gz IZUNIVVBJHGKIS-VIFPVBQESA-N -1 3 384.375 0.619 20 0 GCADHM CN(c1cccc(F)c1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001571234886 953207048 /nfs/dbraw/zinc/20/70/48/953207048.db2.gz LVCMXEPYLPNFNF-JTQLQIEISA-N -1 3 384.375 0.852 20 0 GCADHM CCc1oncc1C(=O)N1CCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571235438 953212416 /nfs/dbraw/zinc/21/24/16/953212416.db2.gz FADIUTZBNSQFSQ-NSHDSACASA-N -1 3 384.400 0.765 20 0 GCADHM CCc1oncc1C(=O)N1CCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571235438 953212420 /nfs/dbraw/zinc/21/24/20/953212420.db2.gz FADIUTZBNSQFSQ-NSHDSACASA-N -1 3 384.400 0.765 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571235523 953213051 /nfs/dbraw/zinc/21/30/51/953213051.db2.gz HHVDJXHBWCKBTD-YMTOWFKASA-N -1 3 384.375 0.619 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571235523 953213052 /nfs/dbraw/zinc/21/30/52/953213052.db2.gz HHVDJXHBWCKBTD-YMTOWFKASA-N -1 3 384.375 0.619 20 0 GCADHM COCc1nnc2n1CCN([C@@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)C2 ZINC001571235503 953213100 /nfs/dbraw/zinc/21/31/00/953213100.db2.gz GUAXJDIPDZZDPM-OAHLLOKOSA-N -1 3 384.400 0.335 20 0 GCADHM COCc1nnc2n1CCN([C@@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)C2 ZINC001571235503 953213103 /nfs/dbraw/zinc/21/31/03/953213103.db2.gz GUAXJDIPDZZDPM-OAHLLOKOSA-N -1 3 384.400 0.335 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCCN1C(=O)c1cnco1 ZINC001571235448 953213156 /nfs/dbraw/zinc/21/31/56/953213156.db2.gz FGTDJJGDVHAEQJ-ZWNOBZJWSA-N -1 3 384.400 0.996 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCCN1C(=O)c1cnco1 ZINC001571235448 953213159 /nfs/dbraw/zinc/21/31/59/953213159.db2.gz FGTDJJGDVHAEQJ-ZWNOBZJWSA-N -1 3 384.400 0.996 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)on1 ZINC001571235613 953214319 /nfs/dbraw/zinc/21/43/19/953214319.db2.gz KUZHAYSVXWXMLH-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)on1 ZINC001571235613 953214322 /nfs/dbraw/zinc/21/43/22/953214322.db2.gz KUZHAYSVXWXMLH-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM C[C@]1(NC(=O)c2nccnc2N)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571235676 953214404 /nfs/dbraw/zinc/21/44/04/953214404.db2.gz NBPZVGWIUJIPFE-INIZCTEOSA-N -1 3 384.379 0.172 20 0 GCADHM C[C@]1(NC(=O)c2nccnc2N)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571235676 953214406 /nfs/dbraw/zinc/21/44/06/953214406.db2.gz NBPZVGWIUJIPFE-INIZCTEOSA-N -1 3 384.379 0.172 20 0 GCADHM CCc1nc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)co1 ZINC001571235619 953214657 /nfs/dbraw/zinc/21/46/57/953214657.db2.gz KZJQECNALNDJQN-LBPRGKRZSA-N -1 3 384.400 0.447 20 0 GCADHM CCc1nc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)co1 ZINC001571235619 953214659 /nfs/dbraw/zinc/21/46/59/953214659.db2.gz KZJQECNALNDJQN-LBPRGKRZSA-N -1 3 384.400 0.447 20 0 GCADHM O=C(NC1CC(CNc2cccc(F)c2-c2nnn[n-]2)C1)c1c[nH]c(=O)cn1 ZINC001571235746 953215330 /nfs/dbraw/zinc/21/53/30/953215330.db2.gz PHVRMZBWVGUKIC-UHFFFAOYSA-N -1 3 384.375 0.710 20 0 GCADHM O=C(NC1CC(CNc2cccc(F)c2-c2nn[n-]n2)C1)c1c[nH]c(=O)cn1 ZINC001571235746 953215335 /nfs/dbraw/zinc/21/53/35/953215335.db2.gz PHVRMZBWVGUKIC-UHFFFAOYSA-N -1 3 384.375 0.710 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC001571236140 953215567 /nfs/dbraw/zinc/21/55/67/953215567.db2.gz RVSLYLWVTVZYJD-IINYFYTJSA-N -1 3 384.400 0.182 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CN(C(=O)c2cc[nH]c2)CCO1 ZINC001571236140 953215570 /nfs/dbraw/zinc/21/55/70/953215570.db2.gz RVSLYLWVTVZYJD-IINYFYTJSA-N -1 3 384.400 0.182 20 0 GCADHM CCc1cc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)no1 ZINC001571235897 953215827 /nfs/dbraw/zinc/21/58/27/953215827.db2.gz QUWRFGXNORETJY-ZDUSSCGKSA-N -1 3 384.400 0.447 20 0 GCADHM CCc1cc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)no1 ZINC001571235897 953215830 /nfs/dbraw/zinc/21/58/30/953215830.db2.gz QUWRFGXNORETJY-ZDUSSCGKSA-N -1 3 384.400 0.447 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1ccncc1F ZINC001571235901 953215992 /nfs/dbraw/zinc/21/59/92/953215992.db2.gz QWPKKCQZJMXEFH-UONOGXRCSA-N -1 3 384.375 0.165 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1ccncc1F ZINC001571235901 953215995 /nfs/dbraw/zinc/21/59/95/953215995.db2.gz QWPKKCQZJMXEFH-UONOGXRCSA-N -1 3 384.375 0.165 20 0 GCADHM CCc1cc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)no1 ZINC001571235896 953216259 /nfs/dbraw/zinc/21/62/59/953216259.db2.gz QUWRFGXNORETJY-CYBMUJFWSA-N -1 3 384.400 0.447 20 0 GCADHM CCc1cc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)no1 ZINC001571235896 953216261 /nfs/dbraw/zinc/21/62/61/953216261.db2.gz QUWRFGXNORETJY-CYBMUJFWSA-N -1 3 384.400 0.447 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001571236180 953216376 /nfs/dbraw/zinc/21/63/76/953216376.db2.gz UBVSUWFPZXCRRV-ZDUSSCGKSA-N -1 3 384.400 0.436 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC001571236180 953216378 /nfs/dbraw/zinc/21/63/78/953216378.db2.gz UBVSUWFPZXCRRV-ZDUSSCGKSA-N -1 3 384.400 0.436 20 0 GCADHM O=C(Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)c1cccc(-c2nnn[n-]2)c1 ZINC001571236218 953216777 /nfs/dbraw/zinc/21/67/77/953216777.db2.gz WANDQHSENJKDOD-UHFFFAOYSA-N -1 3 384.377 0.845 20 0 GCADHM O=C(Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)c1cccc(-c2nn[n-]n2)c1 ZINC001571236218 953216779 /nfs/dbraw/zinc/21/67/79/953216779.db2.gz WANDQHSENJKDOD-UHFFFAOYSA-N -1 3 384.377 0.845 20 0 GCADHM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nnn[n-]3)cn1)C2)[C@H]1COC(=O)N1 ZINC001571236665 953218069 /nfs/dbraw/zinc/21/80/69/953218069.db2.gz AQUUVKNNTXUUGB-YAJAVVBVSA-N -1 3 384.400 0.209 20 0 GCADHM O=C(NC1CC2(C1)CC(Nc1ccc(-c3nn[n-]n3)cn1)C2)[C@H]1COC(=O)N1 ZINC001571236665 953218071 /nfs/dbraw/zinc/21/80/71/953218071.db2.gz AQUUVKNNTXUUGB-YAJAVVBVSA-N -1 3 384.400 0.209 20 0 GCADHM O=C(c1ncccc1F)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571236432 953218164 /nfs/dbraw/zinc/21/81/64/953218164.db2.gz ZUZVXCRACQVBIX-LBPRGKRZSA-N -1 3 384.375 0.749 20 0 GCADHM O=C(c1ncccc1F)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571236432 953218166 /nfs/dbraw/zinc/21/81/66/953218166.db2.gz ZUZVXCRACQVBIX-LBPRGKRZSA-N -1 3 384.375 0.749 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]2O)no1 ZINC001571236664 953218217 /nfs/dbraw/zinc/21/82/17/953218217.db2.gz AQIJJQRJCIETKU-TZMCWYRMSA-N -1 3 384.400 0.236 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]2O)no1 ZINC001571236664 953218218 /nfs/dbraw/zinc/21/82/18/953218218.db2.gz AQIJJQRJCIETKU-TZMCWYRMSA-N -1 3 384.400 0.236 20 0 GCADHM Cc1nc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571236708 953218890 /nfs/dbraw/zinc/21/88/90/953218890.db2.gz BUKDCGOCDHYUBE-PWSUYJOCSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571236708 953218893 /nfs/dbraw/zinc/21/88/93/953218893.db2.gz BUKDCGOCDHYUBE-PWSUYJOCSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nnn[n-]4)nc3)C2)on1 ZINC001571236705 953218994 /nfs/dbraw/zinc/21/89/94/953218994.db2.gz BTNSBAMSBXCZSU-QGZVFWFLSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[n-]n4)nc3)C2)on1 ZINC001571236705 953218998 /nfs/dbraw/zinc/21/89/98/953218998.db2.gz BTNSBAMSBXCZSU-QGZVFWFLSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1noc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1C ZINC001571236719 953219051 /nfs/dbraw/zinc/21/90/51/953219051.db2.gz CDRABCAOZOFKFV-PELKAZGASA-N -1 3 384.400 0.833 20 0 GCADHM Cc1noc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1C ZINC001571236719 953219054 /nfs/dbraw/zinc/21/90/54/953219054.db2.gz CDRABCAOZOFKFV-PELKAZGASA-N -1 3 384.400 0.833 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@H]2C)no1 ZINC001571236724 953219101 /nfs/dbraw/zinc/21/91/01/953219101.db2.gz CFLNQCISHUYRIY-BXKDBHETSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@H]2C)no1 ZINC001571236724 953219104 /nfs/dbraw/zinc/21/91/04/953219104.db2.gz CFLNQCISHUYRIY-BXKDBHETSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nocc1C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001571237009 953219383 /nfs/dbraw/zinc/21/93/83/953219383.db2.gz FDPIBTLFGJPRIX-ZDUSSCGKSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1nocc1C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001571237009 953219387 /nfs/dbraw/zinc/21/93/87/953219387.db2.gz FDPIBTLFGJPRIX-ZDUSSCGKSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1ncoc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571237213 953220290 /nfs/dbraw/zinc/22/02/90/953220290.db2.gz GIJMOYAPPLXMFY-LBPRGKRZSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1ncoc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571237213 953220292 /nfs/dbraw/zinc/22/02/92/953220292.db2.gz GIJMOYAPPLXMFY-LBPRGKRZSA-N -1 3 384.400 0.868 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571237435 953221623 /nfs/dbraw/zinc/22/16/23/953221623.db2.gz HOEYCEZILSMNBM-LLVKDONJSA-N -1 3 384.400 0.394 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571237435 953221628 /nfs/dbraw/zinc/22/16/28/953221628.db2.gz HOEYCEZILSMNBM-LLVKDONJSA-N -1 3 384.400 0.394 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571237677 953221954 /nfs/dbraw/zinc/22/19/54/953221954.db2.gz LIIHRZITGZFQDH-SKDRFNHKSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571237677 953221958 /nfs/dbraw/zinc/22/19/58/953221958.db2.gz LIIHRZITGZFQDH-SKDRFNHKSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(c3ncccc3-c3nnn[n-]3)CCCO2)on1 ZINC001571237638 953221966 /nfs/dbraw/zinc/22/19/66/953221966.db2.gz KBLGMIJBIHGXME-LBPRGKRZSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(c3ncccc3-c3nn[n-]n3)CCCO2)on1 ZINC001571237638 953221969 /nfs/dbraw/zinc/22/19/69/953221969.db2.gz KBLGMIJBIHGXME-LBPRGKRZSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1ncc(CC(=O)N2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)o1 ZINC001571237683 953222292 /nfs/dbraw/zinc/22/22/92/953222292.db2.gz LREJDZJZVZIJDJ-BXKDBHETSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1ncc(CC(=O)N2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)o1 ZINC001571237683 953222296 /nfs/dbraw/zinc/22/22/96/953222296.db2.gz LREJDZJZVZIJDJ-BXKDBHETSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1ncc(CC(=O)N2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)o1 ZINC001571237685 953223342 /nfs/dbraw/zinc/22/33/42/953223342.db2.gz LREJDZJZVZIJDJ-JOYOIKCWSA-N -1 3 384.400 0.453 20 0 GCADHM Cc1ncc(CC(=O)N2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)o1 ZINC001571237685 953223347 /nfs/dbraw/zinc/22/33/47/953223347.db2.gz LREJDZJZVZIJDJ-JOYOIKCWSA-N -1 3 384.400 0.453 20 0 GCADHM O=C(c1ccon1)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571237942 953224104 /nfs/dbraw/zinc/22/41/04/953224104.db2.gz OQRJQBKTFRZWIO-CYBMUJFWSA-N -1 3 384.400 0.353 20 0 GCADHM O=C(c1ccon1)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571237942 953224107 /nfs/dbraw/zinc/22/41/07/953224107.db2.gz OQRJQBKTFRZWIO-CYBMUJFWSA-N -1 3 384.400 0.353 20 0 GCADHM Cc1cnoc1C(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571238073 953225463 /nfs/dbraw/zinc/22/54/63/953225463.db2.gz SXUAUMBBFSRWJM-JQWIXIFHSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cnoc1C(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571238073 953225466 /nfs/dbraw/zinc/22/54/66/953225466.db2.gz SXUAUMBBFSRWJM-JQWIXIFHSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1nc(N2CCCO[C@H](CNC(=O)c3cnco3)C2)ccc1-c1nnn[n-]1 ZINC001571238138 953225479 /nfs/dbraw/zinc/22/54/79/953225479.db2.gz VHBXUQYODKTGPJ-GFCCVEGCSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1nc(N2CCCO[C@H](CNC(=O)c3cnco3)C2)ccc1-c1nn[n-]n1 ZINC001571238138 953225482 /nfs/dbraw/zinc/22/54/82/953225482.db2.gz VHBXUQYODKTGPJ-GFCCVEGCSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1cc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)no1 ZINC001571238198 953226199 /nfs/dbraw/zinc/22/61/99/953226199.db2.gz WLHFXDHVKMJRCZ-GXFFZTMASA-N -1 3 384.400 0.453 20 0 GCADHM Cc1cc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)no1 ZINC001571238198 953226202 /nfs/dbraw/zinc/22/62/02/953226202.db2.gz WLHFXDHVKMJRCZ-GXFFZTMASA-N -1 3 384.400 0.453 20 0 GCADHM Cc1conc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571238276 953227159 /nfs/dbraw/zinc/22/71/59/953227159.db2.gz YKIMFFVEYGHVFO-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1conc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571238276 953227161 /nfs/dbraw/zinc/22/71/61/953227161.db2.gz YKIMFFVEYGHVFO-CMPLNLGQSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1ncoc1C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238286 953227215 /nfs/dbraw/zinc/22/72/15/953227215.db2.gz YONVLBMDAANUEK-QWRGUYRKSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1ncoc1C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238286 953227219 /nfs/dbraw/zinc/22/72/19/953227219.db2.gz YONVLBMDAANUEK-QWRGUYRKSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(CC(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571238288 953227347 /nfs/dbraw/zinc/22/73/47/953227347.db2.gz YPGDVSDIGZNIFI-JTQLQIEISA-N -1 3 384.400 0.311 20 0 GCADHM Cc1cc(CC(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571238288 953227352 /nfs/dbraw/zinc/22/73/52/953227352.db2.gz YPGDVSDIGZNIFI-JTQLQIEISA-N -1 3 384.400 0.311 20 0 GCADHM O=C(Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001571238244 953227599 /nfs/dbraw/zinc/22/75/99/953227599.db2.gz XZAOKJJVNGFNQC-XMQYKBBCSA-N -1 3 384.400 0.117 20 0 GCADHM O=C(Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1)N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001571238244 953227600 /nfs/dbraw/zinc/22/76/00/953227600.db2.gz XZAOKJJVNGFNQC-XMQYKBBCSA-N -1 3 384.400 0.117 20 0 GCADHM Cc1nc[nH]c1C(=O)N1CCO[C@H]([C@@H](C)Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238633 953231329 /nfs/dbraw/zinc/23/13/29/953231329.db2.gz ISBKWUIMENBPHC-SKDRFNHKSA-N -1 3 384.404 0.030 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1[C@@H]2CC[C@H]1CN(C(=O)c1nccs1)C2 ZINC001571241477 953246197 /nfs/dbraw/zinc/24/61/97/953246197.db2.gz ANFXXKRTFDZARH-PHIMTYICSA-N -1 3 384.425 0.781 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1[C@@H]2CC[C@H]1CN(C(=O)c1nccs1)C2 ZINC001571241477 953246199 /nfs/dbraw/zinc/24/61/99/953246199.db2.gz ANFXXKRTFDZARH-PHIMTYICSA-N -1 3 384.425 0.781 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccns1 ZINC001571241635 953248280 /nfs/dbraw/zinc/24/82/80/953248280.db2.gz GZKHXBMPGIEVHO-FOGDFJRCSA-N -1 3 384.425 0.827 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccns1 ZINC001571241635 953248284 /nfs/dbraw/zinc/24/82/84/953248284.db2.gz GZKHXBMPGIEVHO-FOGDFJRCSA-N -1 3 384.425 0.827 20 0 GCADHM NC(=O)c1ccc(S(=O)(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1 ZINC001571241680 953249207 /nfs/dbraw/zinc/24/92/07/953249207.db2.gz IFRDKSIYUAKGER-AWEZNQCLSA-N -1 3 384.421 0.411 20 0 GCADHM NC(=O)c1ccc(S(=O)(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1 ZINC001571241680 953249211 /nfs/dbraw/zinc/24/92/11/953249211.db2.gz IFRDKSIYUAKGER-AWEZNQCLSA-N -1 3 384.421 0.411 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)s1 ZINC001571241926 953251538 /nfs/dbraw/zinc/25/15/38/953251538.db2.gz PWLXDRKQLRNXMJ-JTQLQIEISA-N -1 3 384.425 0.749 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)s1 ZINC001571241926 953251540 /nfs/dbraw/zinc/25/15/40/953251540.db2.gz PWLXDRKQLRNXMJ-JTQLQIEISA-N -1 3 384.425 0.749 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242165 953254150 /nfs/dbraw/zinc/25/41/50/953254150.db2.gz BZSBENJVFQWYGS-KDOFPFPSSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242165 953254152 /nfs/dbraw/zinc/25/41/52/953254152.db2.gz BZSBENJVFQWYGS-KDOFPFPSSA-N -1 3 384.444 0.533 20 0 GCADHM CCN1C[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571242397 953256489 /nfs/dbraw/zinc/25/64/89/953256489.db2.gz FLZVLWVOXVINSX-MRVWCRGKSA-N -1 3 384.444 0.389 20 0 GCADHM CCN1C[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571242397 953256491 /nfs/dbraw/zinc/25/64/91/953256491.db2.gz FLZVLWVOXVINSX-MRVWCRGKSA-N -1 3 384.444 0.389 20 0 GCADHM C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571242477 953257105 /nfs/dbraw/zinc/25/71/05/953257105.db2.gz HLCJVXBNCBJFDL-MBNYWOFBSA-N -1 3 384.444 0.389 20 0 GCADHM C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571242477 953257107 /nfs/dbraw/zinc/25/71/07/953257107.db2.gz HLCJVXBNCBJFDL-MBNYWOFBSA-N -1 3 384.444 0.389 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571242519 953257259 /nfs/dbraw/zinc/25/72/59/953257259.db2.gz IELCMZUDVXDJFK-KBPBESRZSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571242519 953257262 /nfs/dbraw/zinc/25/72/62/953257262.db2.gz IELCMZUDVXDJFK-KBPBESRZSA-N -1 3 384.444 0.676 20 0 GCADHM CN(C(=O)C[C@@H]1CCN(C)C1=O)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571242483 953257289 /nfs/dbraw/zinc/25/72/89/953257289.db2.gz HOWAXDMSUFSQNR-STQMWFEESA-N -1 3 384.444 0.167 20 0 GCADHM CN(C(=O)C[C@@H]1CCN(C)C1=O)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571242483 953257292 /nfs/dbraw/zinc/25/72/92/953257292.db2.gz HOWAXDMSUFSQNR-STQMWFEESA-N -1 3 384.444 0.167 20 0 GCADHM CN1CC[C@@H](CC(=O)N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)C1=O ZINC001571242659 953258348 /nfs/dbraw/zinc/25/83/48/953258348.db2.gz LBMQPAZCUQHWBC-STQMWFEESA-N -1 3 384.444 0.533 20 0 GCADHM CN1CC[C@@H](CC(=O)N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)C1=O ZINC001571242659 953258351 /nfs/dbraw/zinc/25/83/51/953258351.db2.gz LBMQPAZCUQHWBC-STQMWFEESA-N -1 3 384.444 0.533 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001571242654 953258828 /nfs/dbraw/zinc/25/88/28/953258828.db2.gz LAGJDHRLHRMBGY-ACJLOTCBSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001571242654 953258832 /nfs/dbraw/zinc/25/88/32/953258832.db2.gz LAGJDHRLHRMBGY-ACJLOTCBSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571242758 953259111 /nfs/dbraw/zinc/25/91/11/953259111.db2.gz NJMZPMNTPNEHFK-HUUCEWRRSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571242758 953259115 /nfs/dbraw/zinc/25/91/15/953259115.db2.gz NJMZPMNTPNEHFK-HUUCEWRRSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571242724 953259632 /nfs/dbraw/zinc/25/96/32/953259632.db2.gz MLIPBLMBDUHCTI-TZMCWYRMSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571242724 953259636 /nfs/dbraw/zinc/25/96/36/953259636.db2.gz MLIPBLMBDUHCTI-TZMCWYRMSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571242722 953259752 /nfs/dbraw/zinc/25/97/52/953259752.db2.gz MLIPBLMBDUHCTI-JSGCOSHPSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571242722 953259754 /nfs/dbraw/zinc/25/97/54/953259754.db2.gz MLIPBLMBDUHCTI-JSGCOSHPSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571242805 953260536 /nfs/dbraw/zinc/26/05/36/953260536.db2.gz OLRAQYGBJYSMLT-BVRBVLIYSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571242805 953260538 /nfs/dbraw/zinc/26/05/38/953260538.db2.gz OLRAQYGBJYSMLT-BVRBVLIYSA-N -1 3 384.444 0.437 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571242876 953261367 /nfs/dbraw/zinc/26/13/67/953261367.db2.gz QFCHJBATKOSUNT-OLZOCXBDSA-N -1 3 384.444 0.215 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571242876 953261369 /nfs/dbraw/zinc/26/13/69/953261369.db2.gz QFCHJBATKOSUNT-OLZOCXBDSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1C ZINC001571242874 953261385 /nfs/dbraw/zinc/26/13/85/953261385.db2.gz QDWGSJOGWBXGCY-MRVWCRGKSA-N -1 3 384.444 0.214 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1C ZINC001571242874 953261389 /nfs/dbraw/zinc/26/13/89/953261389.db2.gz QDWGSJOGWBXGCY-MRVWCRGKSA-N -1 3 384.444 0.214 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001571243005 953261662 /nfs/dbraw/zinc/26/16/62/953261662.db2.gz SVOSMGOYFAIUGF-KPZWWZAWSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001571243005 953261665 /nfs/dbraw/zinc/26/16/65/953261665.db2.gz SVOSMGOYFAIUGF-KPZWWZAWSA-N -1 3 384.444 0.581 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571243066 953262694 /nfs/dbraw/zinc/26/26/94/953262694.db2.gz VAPAUSYCTJRGJO-JSGCOSHPSA-N -1 3 384.444 0.533 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571243066 953262698 /nfs/dbraw/zinc/26/26/98/953262698.db2.gz VAPAUSYCTJRGJO-JSGCOSHPSA-N -1 3 384.444 0.533 20 0 GCADHM CCN(C(=O)[C@H]1CCCC(=O)N1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571243108 953263218 /nfs/dbraw/zinc/26/32/18/953263218.db2.gz WNANQNJYVNVNDT-DZGCQCFKSA-N -1 3 384.444 0.358 20 0 GCADHM CCN(C(=O)[C@H]1CCCC(=O)N1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571243108 953263221 /nfs/dbraw/zinc/26/32/21/953263221.db2.gz WNANQNJYVNVNDT-DZGCQCFKSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001571243226 953264164 /nfs/dbraw/zinc/26/41/64/953264164.db2.gz ZYIXONWMJSUOMU-KPZWWZAWSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001571243226 953264169 /nfs/dbraw/zinc/26/41/69/953264169.db2.gz ZYIXONWMJSUOMU-KPZWWZAWSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571244942 953268214 /nfs/dbraw/zinc/26/82/14/953268214.db2.gz AOWAEIYUEBSSSZ-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571244942 953268215 /nfs/dbraw/zinc/26/82/15/953268215.db2.gz AOWAEIYUEBSSSZ-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CCn1ncnc1CN1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571245129 953270389 /nfs/dbraw/zinc/27/03/89/953270389.db2.gz DNXHFOGLIZTOLS-NEPJUHHUSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1ncnc1CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571245129 953270391 /nfs/dbraw/zinc/27/03/91/953270391.db2.gz DNXHFOGLIZTOLS-NEPJUHHUSA-N -1 3 384.448 0.589 20 0 GCADHM CCn1nnc(C)c1CN1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571245367 953272881 /nfs/dbraw/zinc/27/28/81/953272881.db2.gz GZQYZZQYALUCBR-CYBMUJFWSA-N -1 3 384.448 0.461 20 0 GCADHM CCn1nc(C)c(CN2CC[C@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571245424 953273730 /nfs/dbraw/zinc/27/37/30/953273730.db2.gz ICWPJHYSXYUTFY-ZDUSSCGKSA-N -1 3 384.448 0.461 20 0 GCADHM CCn1nc(C)c(CN2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571245424 953273731 /nfs/dbraw/zinc/27/37/31/953273731.db2.gz ICWPJHYSXYUTFY-ZDUSSCGKSA-N -1 3 384.448 0.461 20 0 GCADHM CCn1ncnc1CN1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571245992 953279504 /nfs/dbraw/zinc/27/95/04/953279504.db2.gz QCLUJKCDEDUSJU-CYBMUJFWSA-N -1 3 384.448 0.591 20 0 GCADHM CCn1ncnc1CN1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571245992 953279508 /nfs/dbraw/zinc/27/95/08/953279508.db2.gz QCLUJKCDEDUSJU-CYBMUJFWSA-N -1 3 384.448 0.591 20 0 GCADHM CCn1cc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)nn1 ZINC001571246351 953282467 /nfs/dbraw/zinc/28/24/67/953282467.db2.gz YPMFNPQNXFXNNT-CYBMUJFWSA-N -1 3 384.448 0.591 20 0 GCADHM CC(C)(C)n1ncnc1CN[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571246362 953282735 /nfs/dbraw/zinc/28/27/35/953282735.db2.gz YUEJWWXTYAVGFZ-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571246362 953282739 /nfs/dbraw/zinc/28/27/39/953282739.db2.gz YUEJWWXTYAVGFZ-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571247553 953283456 /nfs/dbraw/zinc/28/34/56/953283456.db2.gz ANPQWTWHWUCGOG-OLZOCXBDSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571247553 953283457 /nfs/dbraw/zinc/28/34/57/953283457.db2.gz ANPQWTWHWUCGOG-OLZOCXBDSA-N -1 3 384.444 0.438 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCN2C(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001571248045 953289021 /nfs/dbraw/zinc/28/90/21/953289021.db2.gz CPXAKFWEBPGKES-CHWSQXEVSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCN2C(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001571248045 953289026 /nfs/dbraw/zinc/28/90/26/953289026.db2.gz CPXAKFWEBPGKES-CHWSQXEVSA-N -1 3 384.444 0.499 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571248542 953294242 /nfs/dbraw/zinc/29/42/42/953294242.db2.gz GEQCHCHZQPEYCQ-OLZOCXBDSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571248542 953294245 /nfs/dbraw/zinc/29/42/45/953294245.db2.gz GEQCHCHZQPEYCQ-OLZOCXBDSA-N -1 3 384.444 0.581 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)n1 ZINC001571248584 953295015 /nfs/dbraw/zinc/29/50/15/953295015.db2.gz HBGFRUCYUPEVQR-QWHCGFSZSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)C[C@@H]3CCNC3=O)C2)n1 ZINC001571248584 953295018 /nfs/dbraw/zinc/29/50/18/953295018.db2.gz HBGFRUCYUPEVQR-QWHCGFSZSA-N -1 3 384.444 0.181 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001571248789 953297309 /nfs/dbraw/zinc/29/73/09/953297309.db2.gz IKVJCWHVUASNJO-MCIONIFRSA-N -1 3 384.444 0.566 20 0 GCADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001571248789 953297312 /nfs/dbraw/zinc/29/73/12/953297312.db2.gz IKVJCWHVUASNJO-MCIONIFRSA-N -1 3 384.444 0.566 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)ccc1-c1nnn[n-]1 ZINC001571248794 953297360 /nfs/dbraw/zinc/29/73/60/953297360.db2.gz IPQLKTPBSSDATH-CHWSQXEVSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1nc(N2CCC[C@@H](NC(=O)C[C@H]3CCNC3=O)C2)ccc1-c1nn[n-]n1 ZINC001571248794 953297361 /nfs/dbraw/zinc/29/73/61/953297361.db2.gz IPQLKTPBSSDATH-CHWSQXEVSA-N -1 3 384.444 0.181 20 0 GCADHM O=C(NCC1CN([C@@H]2CCN(C3CCC3)C2=O)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571248914 953298515 /nfs/dbraw/zinc/29/85/15/953298515.db2.gz LSAQPJLOZMVOKB-OAHLLOKOSA-N -1 3 384.444 0.010 20 0 GCADHM O=C(NCC1CN([C@@H]2CCN(C3CCC3)C2=O)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571248914 953298520 /nfs/dbraw/zinc/29/85/20/953298520.db2.gz LSAQPJLOZMVOKB-OAHLLOKOSA-N -1 3 384.444 0.010 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC001571248896 953299142 /nfs/dbraw/zinc/29/91/42/953299142.db2.gz LJAVKLWYQFPWKQ-GXTWGEPZSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC001571248896 953299146 /nfs/dbraw/zinc/29/91/46/953299146.db2.gz LJAVKLWYQFPWKQ-GXTWGEPZSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571249292 953303236 /nfs/dbraw/zinc/30/32/36/953303236.db2.gz NMLPQXJNVCVEHD-OTTFEQOBSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)C[C@H]3CCC(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571249292 953303239 /nfs/dbraw/zinc/30/32/39/953303239.db2.gz NMLPQXJNVCVEHD-OTTFEQOBSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)n1 ZINC001571250292 953309901 /nfs/dbraw/zinc/30/99/01/953309901.db2.gz QGXUQRQVZVUGTF-CPCZMJQVSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC2CC(NC(=O)C[C@@H]3CCC(=O)N3)C2)n1 ZINC001571250292 953309903 /nfs/dbraw/zinc/30/99/03/953309903.db2.gz QGXUQRQVZVUGTF-CPCZMJQVSA-N -1 3 384.444 0.546 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001571250379 953310875 /nfs/dbraw/zinc/31/08/75/953310875.db2.gz RBBYAMMFWWZHQO-LALPHHSUSA-N -1 3 384.444 0.627 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001571250379 953310878 /nfs/dbraw/zinc/31/08/78/953310878.db2.gz RBBYAMMFWWZHQO-LALPHHSUSA-N -1 3 384.444 0.627 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571250409 953311060 /nfs/dbraw/zinc/31/10/60/953311060.db2.gz RIGYLFDRDLIRIB-CHWSQXEVSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571250409 953311065 /nfs/dbraw/zinc/31/10/65/953311065.db2.gz RIGYLFDRDLIRIB-CHWSQXEVSA-N -1 3 384.444 0.581 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001571250423 953311534 /nfs/dbraw/zinc/31/15/34/953311534.db2.gz RKPASMXCUVYHCA-OUCADQQQSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)C2)n1 ZINC001571250423 953311539 /nfs/dbraw/zinc/31/15/39/953311539.db2.gz RKPASMXCUVYHCA-OUCADQQQSA-N -1 3 384.444 0.546 20 0 GCADHM O=C(CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)N1CCCCC1 ZINC001571251721 953318291 /nfs/dbraw/zinc/31/82/91/953318291.db2.gz VGWXFUDYQKQKAP-KBPBESRZSA-N -1 3 384.444 0.106 20 0 GCADHM O=C(CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCCCC1 ZINC001571251721 953318296 /nfs/dbraw/zinc/31/82/96/953318296.db2.gz VGWXFUDYQKQKAP-KBPBESRZSA-N -1 3 384.444 0.106 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2C)n1 ZINC001571251700 953319020 /nfs/dbraw/zinc/31/90/20/953319020.db2.gz UOISAMGJRZCXOQ-LERXQTSPSA-N -1 3 384.444 0.498 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CN(C(=O)[C@H]3CCCC(=O)N3)C[C@H]2C)n1 ZINC001571251700 953319024 /nfs/dbraw/zinc/31/90/24/953319024.db2.gz UOISAMGJRZCXOQ-LERXQTSPSA-N -1 3 384.444 0.498 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]1 ZINC001571251752 953319591 /nfs/dbraw/zinc/31/95/91/953319591.db2.gz VXMOGHCGIPREKS-LLVKDONJSA-N -1 3 384.448 0.615 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571251761 953319692 /nfs/dbraw/zinc/31/96/92/953319692.db2.gz WCZXAKANZBHJES-LBPRGKRZSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571251761 953319697 /nfs/dbraw/zinc/31/96/97/953319697.db2.gz WCZXAKANZBHJES-LBPRGKRZSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571252194 953324941 /nfs/dbraw/zinc/32/49/41/953324941.db2.gz YNYGUORQUYEPIV-CHWSQXEVSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571252194 953324944 /nfs/dbraw/zinc/32/49/44/953324944.db2.gz YNYGUORQUYEPIV-CHWSQXEVSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1)c1cc(F)c[nH]1 ZINC001571253927 953335281 /nfs/dbraw/zinc/33/52/81/953335281.db2.gz BSMIEWGRTRPILT-OAHLLOKOSA-N -1 3 385.403 0.965 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)c1cc(F)c[nH]1 ZINC001571253927 953335284 /nfs/dbraw/zinc/33/52/84/953335284.db2.gz BSMIEWGRTRPILT-OAHLLOKOSA-N -1 3 385.403 0.965 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001571254276 953336771 /nfs/dbraw/zinc/33/67/71/953336771.db2.gz FHOGRGQSFYACDD-CMPLNLGQSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001571254276 953336775 /nfs/dbraw/zinc/33/67/75/953336775.db2.gz FHOGRGQSFYACDD-CMPLNLGQSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001571254279 953337339 /nfs/dbraw/zinc/33/73/39/953337339.db2.gz FHOGRGQSFYACDD-PWSUYJOCSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001571254279 953337344 /nfs/dbraw/zinc/33/73/44/953337344.db2.gz FHOGRGQSFYACDD-PWSUYJOCSA-N -1 3 385.407 0.922 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571254430 953339148 /nfs/dbraw/zinc/33/91/48/953339148.db2.gz DBOZOAFRHRVNMB-JTQLQIEISA-N -1 3 385.363 0.201 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571254430 953339153 /nfs/dbraw/zinc/33/91/53/953339153.db2.gz DBOZOAFRHRVNMB-JTQLQIEISA-N -1 3 385.363 0.201 20 0 GCADHM O=C(NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1ccc(=O)[nH]n1 ZINC001571254441 953339316 /nfs/dbraw/zinc/33/93/16/953339316.db2.gz DDOINUIXHXETHI-WAAGHKOSSA-N -1 3 385.363 0.517 20 0 GCADHM O=C(NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1ccc(=O)[nH]n1 ZINC001571254441 953339319 /nfs/dbraw/zinc/33/93/19/953339319.db2.gz DDOINUIXHXETHI-WAAGHKOSSA-N -1 3 385.363 0.517 20 0 GCADHM C[C@H](c1ccccc1F)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001571254616 953339913 /nfs/dbraw/zinc/33/99/13/953339913.db2.gz HHXFDQLWVJALJW-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](c1ccccc1F)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001571254616 953339916 /nfs/dbraw/zinc/33/99/16/953339916.db2.gz HHXFDQLWVJALJW-GTTSAUCSSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1)n1cncn1 ZINC001571254782 953341601 /nfs/dbraw/zinc/34/16/01/953341601.db2.gz IYJLLFBJYNLCLP-GFCCVEGCSA-N -1 3 385.407 0.503 20 0 GCADHM C[C@H](C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1)n1cncn1 ZINC001571254782 953341603 /nfs/dbraw/zinc/34/16/03/953341603.db2.gz IYJLLFBJYNLCLP-GFCCVEGCSA-N -1 3 385.407 0.503 20 0 GCADHM O=C(c1cn[nH]c(=O)c1)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571254721 953341729 /nfs/dbraw/zinc/34/17/29/953341729.db2.gz GPRSCVRFZOKBFI-LLVKDONJSA-N -1 3 385.363 0.613 20 0 GCADHM O=C(c1cn[nH]c(=O)c1)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571254721 953341732 /nfs/dbraw/zinc/34/17/32/953341732.db2.gz GPRSCVRFZOKBFI-LLVKDONJSA-N -1 3 385.363 0.613 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]21 ZINC001571254793 953343059 /nfs/dbraw/zinc/34/30/59/953343059.db2.gz JGUGPXPDICGPAP-ZSYFIWHWSA-N -1 3 385.403 0.083 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]21 ZINC001571254793 953343060 /nfs/dbraw/zinc/34/30/60/953343060.db2.gz JGUGPXPDICGPAP-ZSYFIWHWSA-N -1 3 385.403 0.083 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)n1cncn1 ZINC001571254790 953343064 /nfs/dbraw/zinc/34/30/64/953343064.db2.gz JDOHQDYTSOIWQB-LLVKDONJSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)n1cncn1 ZINC001571254790 953343065 /nfs/dbraw/zinc/34/30/65/953343065.db2.gz JDOHQDYTSOIWQB-LLVKDONJSA-N -1 3 385.407 0.944 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O)c1ccc[nH]1 ZINC001571254824 953343344 /nfs/dbraw/zinc/34/33/44/953343344.db2.gz KAWYQMRUJVTLKZ-GOEBONIOSA-N -1 3 385.403 0.699 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)c(C)o1 ZINC001571255017 953344355 /nfs/dbraw/zinc/34/43/55/953344355.db2.gz FDAXMWGLXYAVSX-KGLIPLIRSA-N -1 3 385.384 0.020 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)c(C)o1 ZINC001571255017 953344359 /nfs/dbraw/zinc/34/43/59/953344359.db2.gz FDAXMWGLXYAVSX-KGLIPLIRSA-N -1 3 385.384 0.020 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001571255592 953350553 /nfs/dbraw/zinc/35/05/53/953350553.db2.gz QOGNNFYLRXRMNA-YPMHNXCESA-N -1 3 385.407 0.946 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cncn2)CC[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001571255592 953350558 /nfs/dbraw/zinc/35/05/58/953350558.db2.gz QOGNNFYLRXRMNA-YPMHNXCESA-N -1 3 385.407 0.946 20 0 GCADHM Cc1nsc(N2C[C@@H](NC(=O)[C@H]3C[C@@H]3C(F)F)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571255567 953350654 /nfs/dbraw/zinc/35/06/54/953350654.db2.gz QLQRCBUWTBSKAE-MAUMQABQSA-N -1 3 385.400 0.199 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001571255590 953351259 /nfs/dbraw/zinc/35/12/59/953351259.db2.gz QOGNNFYLRXRMNA-WCQYABFASA-N -1 3 385.407 0.946 20 0 GCADHM C[C@H]1CN(C(=O)Cn2cncn2)CC[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001571255590 953351264 /nfs/dbraw/zinc/35/12/64/953351264.db2.gz QOGNNFYLRXRMNA-WCQYABFASA-N -1 3 385.407 0.946 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CN(C(=O)c2ccoc2)CCO1 ZINC001571255732 953353309 /nfs/dbraw/zinc/35/33/09/953353309.db2.gz MCPUYPGLWZFANN-YGRLFVJLSA-N -1 3 385.384 0.447 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CN(C(=O)c2ccoc2)CCO1 ZINC001571255732 953353315 /nfs/dbraw/zinc/35/33/15/953353315.db2.gz MCPUYPGLWZFANN-YGRLFVJLSA-N -1 3 385.384 0.447 20 0 GCADHM C[C@@H]1[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1(=O)=O ZINC001571255863 953358425 /nfs/dbraw/zinc/35/84/25/953358425.db2.gz QQRKFTWEBHZQME-PRHODGIISA-N -1 3 384.849 0.895 20 0 GCADHM C[C@@H]1[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1(=O)=O ZINC001571255863 953358431 /nfs/dbraw/zinc/35/84/31/953358431.db2.gz QQRKFTWEBHZQME-PRHODGIISA-N -1 3 384.849 0.895 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1cnn(C)c1 ZINC001571256078 953360863 /nfs/dbraw/zinc/36/08/63/953360863.db2.gz XRPVEXUDHLTNFA-MFKMUULPSA-N -1 3 385.407 0.951 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1cnn(C)c1 ZINC001571256078 953360867 /nfs/dbraw/zinc/36/08/67/953360867.db2.gz XRPVEXUDHLTNFA-MFKMUULPSA-N -1 3 385.407 0.951 20 0 GCADHM COc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001571256029 953361145 /nfs/dbraw/zinc/36/11/45/953361145.db2.gz OOPOHWCKOZCUFN-SNVBAGLBSA-N -1 3 385.384 0.783 20 0 GCADHM COc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001571256029 953361152 /nfs/dbraw/zinc/36/11/52/953361152.db2.gz OOPOHWCKOZCUFN-SNVBAGLBSA-N -1 3 385.384 0.783 20 0 GCADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c21 ZINC001571256057 953361578 /nfs/dbraw/zinc/36/15/78/953361578.db2.gz PLUGTJJUBHPLSO-IUCAKERBSA-N -1 3 385.384 0.144 20 0 GCADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c21 ZINC001571256057 953361582 /nfs/dbraw/zinc/36/15/82/953361582.db2.gz PLUGTJJUBHPLSO-IUCAKERBSA-N -1 3 385.384 0.144 20 0 GCADHM C[C@@H](C(=O)N1CCN[C@H](Cc2ccc(F)cc2)C1)n1cnc(-c2nnn[n-]2)n1 ZINC001571256156 953363127 /nfs/dbraw/zinc/36/31/27/953363127.db2.gz ZJSKDTSUDLDIEA-SMDDNHRTSA-N -1 3 385.407 0.201 20 0 GCADHM C[C@@H](C(=O)N1CCN[C@H](Cc2ccc(F)cc2)C1)n1cnc(-c2nn[n-]n2)n1 ZINC001571256156 953363135 /nfs/dbraw/zinc/36/31/35/953363135.db2.gz ZJSKDTSUDLDIEA-SMDDNHRTSA-N -1 3 385.407 0.201 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccccc1C(F)(F)F ZINC000533187478 953568110 /nfs/dbraw/zinc/56/81/10/953568110.db2.gz CTPYUDOZBNMUKN-UHFFFAOYSA-N -1 3 375.347 0.910 20 0 GCADHM CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)NC2CCN(CC(=O)[O-])CC2)cn1 ZINC001593665118 953828699 /nfs/dbraw/zinc/82/86/99/953828699.db2.gz JNWBGMKRRLOEMJ-RXAIFQJESA-N -1 3 397.501 0.267 20 0 GCADHM CCn1cc([C@H]2C[S@](=O)CCN2C(=O)NC2CCN(CC(=O)[O-])CC2)cn1 ZINC001593665119 953829176 /nfs/dbraw/zinc/82/91/76/953829176.db2.gz JNWBGMKRRLOEMJ-YVORESIASA-N -1 3 397.501 0.267 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001593697021 954078652 /nfs/dbraw/zinc/07/86/52/954078652.db2.gz DUHSIZWOJZXFKR-HIFRSBDPSA-N -1 3 378.347 0.272 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001593697023 954078962 /nfs/dbraw/zinc/07/89/62/954078962.db2.gz DUHSIZWOJZXFKR-ZFWWWQNUSA-N -1 3 378.347 0.272 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(NCCN2CCOCC2)c(F)c1 ZINC001593699448 954099076 /nfs/dbraw/zinc/09/90/76/954099076.db2.gz HUQDCQAPPUEZDM-UHFFFAOYSA-N -1 3 396.463 0.658 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C ZINC001593699652 954100516 /nfs/dbraw/zinc/10/05/16/954100516.db2.gz QSMPRTHPNLHSNY-CQSZACIVSA-N -1 3 381.433 0.676 20 0 GCADHM CN(C)CCSc1nc(CC(=O)N2CCN(C(=O)C(=O)[O-])CC2)cs1 ZINC001593701308 954113129 /nfs/dbraw/zinc/11/31/29/954113129.db2.gz LXUNOVJTTHQNDN-UHFFFAOYSA-N -1 3 386.499 0.095 20 0 GCADHM C[C@H]1CN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1C(=O)[O-] ZINC001589396411 954379827 /nfs/dbraw/zinc/37/98/27/954379827.db2.gz YETLYRPPAXCCKD-SWLSCSKDSA-N -1 3 383.470 0.035 20 0 GCADHM CN(CCNC(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)Cc1ccccc1 ZINC001593751413 954417905 /nfs/dbraw/zinc/41/79/05/954417905.db2.gz VCMSUJLRRNPWFU-INIZCTEOSA-N -1 3 376.457 0.883 20 0 GCADHM O=C([O-])C1=NO[C@@H](C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C1 ZINC001594893265 954552291 /nfs/dbraw/zinc/55/22/91/954552291.db2.gz YYBGXXNXGSZJGS-MRXNPFEDSA-N -1 3 388.424 0.358 20 0 GCADHM COc1cc(OC)cc(N2C[C@@H](C(=O)N(CCN(C)C)CC(=O)[O-])CC2=O)c1 ZINC000676206674 954582317 /nfs/dbraw/zinc/58/23/17/954582317.db2.gz YCBUFCYIFGVTCZ-ZDUSSCGKSA-N -1 3 393.440 0.532 20 0 GCADHM CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001593784950 954689941 /nfs/dbraw/zinc/68/99/41/954689941.db2.gz GVWQMQGQJWLMTO-OAHLLOKOSA-N -1 3 397.520 0.167 20 0 GCADHM 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/nfs/dbraw/zinc/20/80/99/530208099.db2.gz ANGVHNINRAPCHH-ZDUSSCGKSA-N -1 3 394.446 0.614 20 0 GCADHM CCS(=O)(=O)NCCS(=O)(=O)[N-]CC(=O)c1ccc(Cl)cc1F ZINC000625499008 530208135 /nfs/dbraw/zinc/20/81/35/530208135.db2.gz FNNAYQURXUBJNC-UHFFFAOYSA-N -1 3 386.854 0.521 20 0 GCADHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1cccc(CS(C)(=O)=O)c1 ZINC000267164516 530209199 /nfs/dbraw/zinc/20/91/99/530209199.db2.gz SWCPFTKOQGJYSE-UHFFFAOYSA-N -1 3 392.499 0.514 20 0 GCADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CC(=O)N2CCCCC2)s1 ZINC000267159331 530209375 /nfs/dbraw/zinc/20/93/75/530209375.db2.gz FJDFGHZFHFIULY-UHFFFAOYSA-N -1 3 376.456 0.834 20 0 GCADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)N2CCOCC2)s1 ZINC000267229288 530210441 /nfs/dbraw/zinc/21/04/41/530210441.db2.gz VFBISRBEKJGZJY-WDEREUQCSA-N -1 3 392.499 0.931 20 0 GCADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCC(=O)N2CCOCC2)s1 ZINC000267227907 530210516 /nfs/dbraw/zinc/21/05/16/530210516.db2.gz VCUDUFOVRORGGT-UHFFFAOYSA-N -1 3 392.455 0.071 20 0 GCADHM CN1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)c2cccnc21 ZINC000267274840 530210805 /nfs/dbraw/zinc/21/08/05/530210805.db2.gz JGFOPOBQVCUKDT-UHFFFAOYSA-N -1 3 380.202 0.589 20 0 GCADHM COC(=O)CC1(NC(=O)C[N-]S(=O)(=O)c2cccs2)CCOCC1 ZINC000267268009 530210834 /nfs/dbraw/zinc/21/08/34/530210834.db2.gz HWERASRQDOIKKG-UHFFFAOYSA-N -1 3 376.456 0.255 20 0 GCADHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000267267924 530211021 /nfs/dbraw/zinc/21/10/21/530211021.db2.gz LURZFOWZOJCMCU-SECBINFHSA-N -1 3 384.380 0.844 20 0 GCADHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000267267924 530211023 /nfs/dbraw/zinc/21/10/23/530211023.db2.gz LURZFOWZOJCMCU-SECBINFHSA-N -1 3 384.380 0.844 20 0 GCADHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCN[C@@H](c2ccncc2)C1 ZINC000558642649 530212929 /nfs/dbraw/zinc/21/29/29/530212929.db2.gz AADKWIRQEAHOLH-CQSZACIVSA-N -1 3 380.495 0.985 20 0 GCADHM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000267541512 530213727 /nfs/dbraw/zinc/21/37/27/530213727.db2.gz YAZYHGSMCVMTGE-UHFFFAOYSA-N -1 3 382.460 0.325 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)NCCC2N=NC(=S)N2C2CC2)c(C)o1 ZINC000267562277 530213984 /nfs/dbraw/zinc/21/39/84/530213984.db2.gz GUYKVCFGIIBYLP-UHFFFAOYSA-N -1 3 385.471 0.684 20 0 GCADHM C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br ZINC000558759059 530213981 /nfs/dbraw/zinc/21/39/81/530213981.db2.gz NTIQYRKFFVMZIC-ZETCQYMHSA-N -1 3 399.288 0.395 20 0 GCADHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H]1CCC[C@]12NC(=O)NC2=O ZINC000269822161 530250746 /nfs/dbraw/zinc/25/07/46/530250746.db2.gz NYIHGYJTIJJNOC-CLAHSXSESA-N -1 3 387.439 0.191 20 0 GCADHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)s1)C(=O)N1CCOCC1 ZINC000267597301 530214556 /nfs/dbraw/zinc/21/45/56/530214556.db2.gz CLNNXEXGXBJCQE-JTQLQIEISA-N -1 3 376.456 0.450 20 0 GCADHM C[N-]S(=O)(=O)c1ccc(CNS(=O)(=O)CC2(CC(=O)OC)CC2)s1 ZINC000267715188 530215662 /nfs/dbraw/zinc/21/56/62/530215662.db2.gz WNEBNZABEXAHSK-UHFFFAOYSA-N -1 3 396.512 0.419 20 0 GCADHM CC(C)CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2O)s1 ZINC000625595387 530216086 /nfs/dbraw/zinc/21/60/86/530216086.db2.gz YALYSMXPXHWBOR-ZIAGYGMSSA-N -1 3 390.527 0.881 20 0 GCADHM Cc1cc(S(=O)(=O)[N-]CCC(=O)N[C@H]2CCS(=O)(=O)C2)c(F)cc1F ZINC000267818275 530216785 /nfs/dbraw/zinc/21/67/85/530216785.db2.gz QCQKYYXKDQODBU-JTQLQIEISA-N -1 3 396.437 0.245 20 0 GCADHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CO[C@H]2CCOC2)s1 ZINC000267901924 530218023 /nfs/dbraw/zinc/21/80/23/530218023.db2.gz WOCRVQFBKVEWBL-YPMHNXCESA-N -1 3 376.500 0.899 20 0 GCADHM CC(C)(C)c1ccc(S(=O)(=O)[N-]CC(=O)NCCN2CCOCC2)s1 ZINC000414461368 530218531 /nfs/dbraw/zinc/21/85/31/530218531.db2.gz DNFHGWJLZSSBEL-UHFFFAOYSA-N -1 3 389.543 0.772 20 0 GCADHM CN(C)CCN(C1CC1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000414462446 530218805 /nfs/dbraw/zinc/21/88/05/530218805.db2.gz METUWDAZJSSPDC-UHFFFAOYSA-N -1 3 379.479 0.912 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC(=O)OC1CCCCC1 ZINC000268001426 530219445 /nfs/dbraw/zinc/21/94/45/530219445.db2.gz ZJUGOELCWNWFAH-UHFFFAOYSA-N -1 3 388.218 0.704 20 0 GCADHM CN(CCOc1ccc(Cl)cc1)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000268021377 530219702 /nfs/dbraw/zinc/21/97/02/530219702.db2.gz JEZFTZSWNNGEAU-UHFFFAOYSA-N -1 3 386.861 0.889 20 0 GCADHM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000268104477 530221344 /nfs/dbraw/zinc/22/13/44/530221344.db2.gz BTVBHWMKRILMKL-CABZTGNLSA-N -1 3 376.381 0.799 20 0 GCADHM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000268104484 530221349 /nfs/dbraw/zinc/22/13/49/530221349.db2.gz BTVBHWMKRILMKL-SKDRFNHKSA-N -1 3 376.381 0.799 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)ccc1F ZINC000268107828 530221686 /nfs/dbraw/zinc/22/16/86/530221686.db2.gz OCZOLHSYMFIPQL-GFCCVEGCSA-N -1 3 396.487 0.294 20 0 GCADHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(N)=O ZINC000271287405 530270852 /nfs/dbraw/zinc/27/08/52/530270852.db2.gz SGKQBEWVJKLFMI-MRVPVSSYSA-N -1 3 388.920 0.983 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)[N-]c2sccc2C(=O)OC)C1 ZINC000271307070 530271183 /nfs/dbraw/zinc/27/11/83/530271183.db2.gz HSNHAHDYGGPBRZ-SECBINFHSA-N -1 3 389.455 0.013 20 0 GCADHM CN1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cc3c2OCC3)C1=O ZINC000121625243 530271343 /nfs/dbraw/zinc/27/13/43/530271343.db2.gz JHMOCLQYHIFQEU-JTQLQIEISA-N -1 3 375.244 0.893 20 0 GCADHM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000274203432 530294177 /nfs/dbraw/zinc/29/41/77/530294177.db2.gz OOORVLFORCURGC-SNVBAGLBSA-N -1 3 389.373 0.862 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@H]1COC2(CCCC2)O1 ZINC000271609150 530273922 /nfs/dbraw/zinc/27/39/22/530273922.db2.gz UZVUCNGNAKOSNZ-VIFPVBQESA-N -1 3 388.218 0.513 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCCN2C)c(OC)c1 ZINC000271680183 530274737 /nfs/dbraw/zinc/27/47/37/530274737.db2.gz CJPOOPRJUYQACM-CYBMUJFWSA-N -1 3 391.515 0.829 20 0 GCADHM COC(=O)CCN1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)[C@H](C)C1 ZINC000271687120 530274766 /nfs/dbraw/zinc/27/47/66/530274766.db2.gz DPMNTRSRJOWVNX-GFCCVEGCSA-N -1 3 389.499 0.122 20 0 GCADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CCSCC2)s1 ZINC000525690488 530294227 /nfs/dbraw/zinc/29/42/27/530294227.db2.gz AQCDOFSFHLCIQY-UHFFFAOYSA-N -1 3 377.513 0.238 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H]1n1ccnc1 ZINC000123924233 530275249 /nfs/dbraw/zinc/27/52/49/530275249.db2.gz VCSCIRURELUMBW-JQWIXIFHSA-N -1 3 396.245 0.605 20 0 GCADHM CN(C)C1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000271796433 530275921 /nfs/dbraw/zinc/27/59/21/530275921.db2.gz VRLUMINUKWQKBX-UHFFFAOYSA-N -1 3 382.305 0.561 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1Cl ZINC000271780548 530275939 /nfs/dbraw/zinc/27/59/39/530275939.db2.gz SDFSUVWTWCMJEO-UHFFFAOYSA-N -1 3 384.845 0.926 20 0 GCADHM O=S(=O)([N-][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1cc(F)cc(F)c1 ZINC000272001883 530277491 /nfs/dbraw/zinc/27/74/91/530277491.db2.gz UIPCIBPWLUGGSF-JSGCOSHPSA-N -1 3 381.422 0.979 20 0 GCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2COC3(CCOCC3)O2)s1 ZINC000271995910 530277545 /nfs/dbraw/zinc/27/75/45/530277545.db2.gz CCPJBDMQZGCVDP-JTQLQIEISA-N -1 3 377.440 0.735 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1cccs1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000271978003 530277634 /nfs/dbraw/zinc/27/76/34/530277634.db2.gz LOAHBWUWJSJGKX-LLVKDONJSA-N -1 3 376.456 0.065 20 0 GCADHM C[C@H]1CN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CCN1S(C)(=O)=O ZINC000272069694 530278178 /nfs/dbraw/zinc/27/81/78/530278178.db2.gz YRIGOWBEXPXKDS-JTQLQIEISA-N -1 3 393.462 0.303 20 0 GCADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](CO)C2)cc1F ZINC000272093639 530278692 /nfs/dbraw/zinc/27/86/92/530278692.db2.gz JWMAVFLMCYMMNG-NSHDSACASA-N -1 3 380.463 0.980 20 0 GCADHM COCCN(C)S(=O)(=O)[N-][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000272091885 530278708 /nfs/dbraw/zinc/27/87/08/530278708.db2.gz VDZPDRCHPZUMRU-ZDUSSCGKSA-N -1 3 379.841 0.997 20 0 GCADHM COC(=O)CNC(=O)C[N-]S(=O)(=O)Cc1ccccc1Br ZINC000561477479 530279060 /nfs/dbraw/zinc/27/90/60/530279060.db2.gz MIRLMZRBTOWCSI-UHFFFAOYSA-N -1 3 379.232 0.158 20 0 GCADHM CCN(C[C@H](O)C(F)(F)F)C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000428510601 530279478 /nfs/dbraw/zinc/27/94/78/530279478.db2.gz NKRSBOOYZLDCJA-WPRPVWTQSA-N -1 3 387.380 0.730 20 0 GCADHM COC[C@@H](CCO)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000272405744 530280598 /nfs/dbraw/zinc/28/05/98/530280598.db2.gz KJKOSNJPBVOWRP-GFCCVEGCSA-N -1 3 375.422 0.785 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000272456278 530281065 /nfs/dbraw/zinc/28/10/65/530281065.db2.gz QFUOPVMBLYJPJV-VIFPVBQESA-N -1 3 393.462 0.821 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H]([C@H](C)O)C2)c(OC)c1 ZINC000272486880 530281111 /nfs/dbraw/zinc/28/11/11/530281111.db2.gz ZRAGFHNXVGGVOW-RYUDHWBXSA-N -1 3 392.499 0.848 20 0 GCADHM Cc1cc(Br)c(S(=O)(=O)[N-]CCCN2CCNC(=O)C2)s1 ZINC000272500359 530281364 /nfs/dbraw/zinc/28/13/64/530281364.db2.gz XEOLPUNQGJMFAR-UHFFFAOYSA-N -1 3 396.332 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/nfs/dbraw/zinc/41/31/11/530413111.db2.gz CKXAKYNOKXYRBI-SECBINFHSA-N -1 3 375.447 0.542 20 0 GCADHM CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000287477329 530408778 /nfs/dbraw/zinc/40/87/78/530408778.db2.gz FHVGEUFTQGITKM-BXKDBHETSA-N -1 3 375.422 0.196 20 0 GCADHM CCN(C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000287497129 530409279 /nfs/dbraw/zinc/40/92/79/530409279.db2.gz LFGOLSUDANICBW-NSHDSACASA-N -1 3 393.462 0.775 20 0 GCADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C2CCN(c3cccnn3)CC2)s1 ZINC000287531240 530409283 /nfs/dbraw/zinc/40/92/83/530409283.db2.gz WAEDRQOPHPEKSL-UHFFFAOYSA-N -1 3 382.471 0.839 20 0 GCADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](CO)C(C)(C)C)ccc1F ZINC000287535210 530409585 /nfs/dbraw/zinc/40/95/85/530409585.db2.gz ACRNNIPTKSOEMO-LBPRGKRZSA-N -1 3 375.422 0.196 20 0 GCADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000288084108 530414249 /nfs/dbraw/zinc/41/42/49/530414249.db2.gz ZLQFETRUCGRLIC-LBPRGKRZSA-N -1 3 384.380 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530423936 /nfs/dbraw/zinc/42/39/36/530423936.db2.gz AJAODFKTOLKVKV-NSHDSACASA-N -1 3 398.459 0.434 20 0 GCADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)OC ZINC000029398400 530420491 /nfs/dbraw/zinc/42/04/91/530420491.db2.gz ZACVTLZQYYESIG-LURJTMIESA-N -1 3 386.245 0.894 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1cccs1)NCc1nnnn1-c1ccccc1 ZINC000593163441 530420498 /nfs/dbraw/zinc/42/04/98/530420498.db2.gz SHBLFNYVUCXIGY-UHFFFAOYSA-N -1 3 378.439 0.319 20 0 GCADHM CC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C[C@@H](C)S1(=O)=O ZINC000288802488 530420835 /nfs/dbraw/zinc/42/08/35/530420835.db2.gz TYNOQOLEXPKCDM-MNOVXSKESA-N -1 3 380.513 0.451 20 0 GCADHM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]CCCN2CCOCC2)s1 ZINC000618449126 530420890 /nfs/dbraw/zinc/42/08/90/530420890.db2.gz HEZVHRQYMGZMAN-GFCCVEGCSA-N -1 3 375.516 0.946 20 0 GCADHM CC[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cccs2)C[C@H](C)S1(=O)=O ZINC000288802493 530420999 /nfs/dbraw/zinc/42/09/99/530420999.db2.gz TYNOQOLEXPKCDM-QWRGUYRKSA-N -1 3 380.513 0.451 20 0 GCADHM NS(=O)(=O)CCOCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000288911564 530421466 /nfs/dbraw/zinc/42/14/66/530421466.db2.gz KVAXJWBIWCUWKS-UHFFFAOYSA-N -1 3 377.271 0.577 20 0 GCADHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCS(=O)(=O)C2)c(F)c1 ZINC000593546563 530422122 /nfs/dbraw/zinc/42/21/22/530422122.db2.gz XYZNOGAXPKJIMH-NSHDSACASA-N -1 3 379.431 0.858 20 0 GCADHM CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CO)[C@H]2CCOC2)c(F)c1 ZINC000593591560 530422542 /nfs/dbraw/zinc/42/25/42/530422542.db2.gz OFMIJGGTQNNDGY-QWHCGFSZSA-N -1 3 375.418 0.926 20 0 GCADHM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000289696776 530426769 /nfs/dbraw/zinc/42/67/69/530426769.db2.gz XVWQVUFABBTFCY-UHFFFAOYSA-N -1 3 389.268 0.758 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)N[C@H]1CCC(=O)NC1 ZINC000289657461 530426807 /nfs/dbraw/zinc/42/68/07/530426807.db2.gz DHSJTFMMGHKMKK-VIFPVBQESA-N -1 3 379.360 0.379 20 0 GCADHM CN1C[C@@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1=O ZINC000289719360 530427184 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ZINC000289528480 530425421 /nfs/dbraw/zinc/42/54/21/530425421.db2.gz LTDQAXVMPRGHNU-AAEUAGOBSA-N -1 3 394.471 0.149 20 0 GCADHM O=C(C[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)F)cc1 ZINC000289537277 530425577 /nfs/dbraw/zinc/42/55/77/530425577.db2.gz CFVRQZRRNSLOON-LLVKDONJSA-N -1 3 398.409 0.333 20 0 GCADHM O=C(C[N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(OC(F)F)cc1 ZINC000289537282 530425823 /nfs/dbraw/zinc/42/58/23/530425823.db2.gz CFVRQZRRNSLOON-NSHDSACASA-N -1 3 398.409 0.333 20 0 GCADHM Cc1ccc([C@H](C)NC(=O)C[N-]S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000289582183 530425954 /nfs/dbraw/zinc/42/59/54/530425954.db2.gz WNEUCEXMJUWJKB-KBPBESRZSA-N -1 3 388.511 0.587 20 0 GCADHM CN(Cc1ccc(F)c(F)c1)C(=O)C[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000289568729 530426253 /nfs/dbraw/zinc/42/62/53/530426253.db2.gz VNPFXUBMXYDKNA-LLVKDONJSA-N -1 3 396.437 0.030 20 0 GCADHM O=S(=O)([N-]CC(F)(F)F)c1ccc(S(=O)(=O)NCc2cocn2)cc1 ZINC000594038781 530426289 /nfs/dbraw/zinc/42/62/89/530426289.db2.gz APTUAUGFKHINJS-UHFFFAOYSA-N -1 3 399.372 0.994 20 0 GCADHM CCN1C[C@@H](C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1=O ZINC000651856637 530430887 /nfs/dbraw/zinc/43/08/87/530430887.db2.gz JTBUKVZUYMPDKR-GFCCVEGCSA-N -1 3 389.499 0.084 20 0 GCADHM CCCOc1ccc(NC(=O)C[N-]S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000290273136 530431326 /nfs/dbraw/zinc/43/13/26/530431326.db2.gz CFSQRTINHOBJDV-CQSZACIVSA-N -1 3 390.483 0.520 20 0 GCADHM NC(=O)N[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000290251913 530431389 /nfs/dbraw/zinc/43/13/89/530431389.db2.gz ADUUDTHTXQPKJT-MRVPVSSYSA-N -1 3 395.268 0.541 20 0 GCADHM C[C@H](CNC(=O)C[N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 ZINC000290266192 530431638 /nfs/dbraw/zinc/43/16/38/530431638.db2.gz YBLDGLXHLJHEMR-RISCZKNCSA-N -1 3 392.474 0.152 20 0 GCADHM Cc1nnc(CC[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)s1 ZINC000290291198 530431794 /nfs/dbraw/zinc/43/17/94/530431794.db2.gz WMJQMJYRMCITLD-UHFFFAOYSA-N -1 3 390.512 0.618 20 0 GCADHM 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378.476 0.095 20 0 GCADHM C[C@@H]1C[C@H](NS(=O)(=O)CCCCS(=O)(=O)[N-]c2ncccc2F)CO1 ZINC000349591246 530708833 /nfs/dbraw/zinc/70/88/33/530708833.db2.gz QUTRRXXVGQZKDK-NEPJUHHUSA-N -1 3 395.478 0.839 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000363200432 530710557 /nfs/dbraw/zinc/71/05/57/530710557.db2.gz KHBZWUFHXIMSRD-GFCCVEGCSA-N -1 3 379.463 0.948 20 0 GCADHM CCn1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCOCC2)cn1 ZINC000349596040 530711251 /nfs/dbraw/zinc/71/12/51/530711251.db2.gz ZJBIPXYNULDJAL-UHFFFAOYSA-N -1 3 394.519 0.477 20 0 GCADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CC2(CS(C)(=O)=O)CC2)s1 ZINC000473485937 530711800 /nfs/dbraw/zinc/71/18/00/530711800.db2.gz BWSFPYBZDFYQBS-UHFFFAOYSA-N -1 3 380.513 0.487 20 0 GCADHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1O ZINC000349597207 530711986 /nfs/dbraw/zinc/71/19/86/530711986.db2.gz BNKRAWRXGBCDLY-DGCLKSJQSA-N -1 3 380.492 0.073 20 0 GCADHM Cc1c(Cl)cncc1[N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O ZINC000349599308 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COC[C@@H](C[N-]S(=O)(=O)c1cnn2cc(Br)cnc12)OC ZINC000641417093 530741026 /nfs/dbraw/zinc/74/10/26/530741026.db2.gz QCCBRSXSQDZNBL-SECBINFHSA-N -1 3 379.236 0.432 20 0 GCADHM CS(=O)(=O)C1(CNC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000477254091 530742017 /nfs/dbraw/zinc/74/20/17/530742017.db2.gz SKMLTUVMUTUUDI-UHFFFAOYSA-N -1 3 396.437 0.327 20 0 GCADHM C[C@@]1(O)CCCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cn[nH]c2)CC1 ZINC000349621072 530722614 /nfs/dbraw/zinc/72/26/14/530722614.db2.gz QIPUUOPMFQQOLL-CQSZACIVSA-N -1 3 394.519 0.498 20 0 GCADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C)c1nc[nH]n1 ZINC000578082896 530725577 /nfs/dbraw/zinc/72/55/77/530725577.db2.gz CGCUTBLKJSAYFB-SNVBAGLBSA-N -1 3 387.487 0.921 20 0 GCADHM CC(C)NC(=O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000475545397 530725762 /nfs/dbraw/zinc/72/57/62/530725762.db2.gz YIHZDPSALTYQIG-UHFFFAOYSA-N -1 3 389.499 0.274 20 0 GCADHM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000475556522 530725770 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NC(=O)c1coc(CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000443198874 531198329 /nfs/dbraw/zinc/19/83/29/531198329.db2.gz OENSWHJRSSFFHJ-UHFFFAOYSA-N -1 3 382.789 0.691 20 0 GCADHM NC(=O)c1coc(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000443198874 531198330 /nfs/dbraw/zinc/19/83/30/531198330.db2.gz OENSWHJRSSFFHJ-UHFFFAOYSA-N -1 3 382.789 0.691 20 0 GCADHM CCn1ncnc1C[N-]S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000443210897 531198386 /nfs/dbraw/zinc/19/83/86/531198386.db2.gz JVRKAESJSYSXPP-UHFFFAOYSA-N -1 3 388.247 0.638 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@H](OC)C(F)(F)F ZINC000737023568 598825096 /nfs/dbraw/zinc/82/50/96/598825096.db2.gz NCJFFXRBAUAWMV-NSHDSACASA-N -1 3 375.307 0.948 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@H](OC)C(F)(F)F ZINC000737023568 598825097 /nfs/dbraw/zinc/82/50/97/598825097.db2.gz NCJFFXRBAUAWMV-NSHDSACASA-N -1 3 375.307 0.948 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000737523859 598825614 /nfs/dbraw/zinc/82/56/14/598825614.db2.gz UOLNUCPVJDDLIS-SNVBAGLBSA-N -1 3 383.416 0.027 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)N[C@H](C)C(=O)N(C)C ZINC000737523859 598825616 /nfs/dbraw/zinc/82/56/16/598825616.db2.gz UOLNUCPVJDDLIS-SNVBAGLBSA-N -1 3 383.416 0.027 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC(=O)NCC(=O)NC(C)(C)C ZINC000737520805 598826312 /nfs/dbraw/zinc/82/63/12/598826312.db2.gz FTQDETLBWOGWGK-UHFFFAOYSA-N -1 3 397.443 0.465 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC(=O)NCC(=O)NC(C)(C)C ZINC000737520805 598826314 /nfs/dbraw/zinc/82/63/14/598826314.db2.gz FTQDETLBWOGWGK-UHFFFAOYSA-N -1 3 397.443 0.465 20 0 GCADHM COCCN(CCC(=O)OC)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736994090 598832053 /nfs/dbraw/zinc/83/20/53/598832053.db2.gz DGZALGYMASZWGK-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM COCCN(CCC(=O)OC)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736994090 598832054 /nfs/dbraw/zinc/83/20/54/598832054.db2.gz DGZALGYMASZWGK-UHFFFAOYSA-N -1 3 396.835 0.970 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736883244 598833306 /nfs/dbraw/zinc/83/33/06/598833306.db2.gz PVYFYCBVVGVDJD-RYUDHWBXSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736883244 598833307 /nfs/dbraw/zinc/83/33/07/598833307.db2.gz PVYFYCBVVGVDJD-RYUDHWBXSA-N -1 3 393.473 0.207 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735572153 598835653 /nfs/dbraw/zinc/83/56/53/598835653.db2.gz SEEKVKCXKSDDKG-IUCAKERBSA-N -1 3 391.450 0.448 20 0 GCADHM CN(C)C(=O)C1(CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000736747938 598836414 /nfs/dbraw/zinc/83/64/14/598836414.db2.gz USSGKLGBPFKEGE-UHFFFAOYSA-N -1 3 392.485 0.935 20 0 GCADHM CN(C)C(=O)C1(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000736747938 598836416 /nfs/dbraw/zinc/83/64/16/598836416.db2.gz USSGKLGBPFKEGE-UHFFFAOYSA-N -1 3 392.485 0.935 20 0 GCADHM C[C@]1(CNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCOC1 ZINC000736217451 598840162 /nfs/dbraw/zinc/84/01/62/598840162.db2.gz VSEBSIIHIQOCML-GOSISDBHSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@]1(CNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCOC1 ZINC000736217451 598840163 /nfs/dbraw/zinc/84/01/63/598840163.db2.gz VSEBSIIHIQOCML-GOSISDBHSA-N -1 3 386.460 0.956 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736885105 598840591 /nfs/dbraw/zinc/84/05/91/598840591.db2.gz XDVMRTPLFYVQIE-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736885105 598840592 /nfs/dbraw/zinc/84/05/92/598840592.db2.gz XDVMRTPLFYVQIE-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM CN(C)C(=O)C1(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000736748032 598841126 /nfs/dbraw/zinc/84/11/26/598841126.db2.gz VDIYZSCZZRKSDX-UHFFFAOYSA-N -1 3 399.455 0.361 20 0 GCADHM CN(C)C(=O)C1(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000736748032 598841127 /nfs/dbraw/zinc/84/11/27/598841127.db2.gz VDIYZSCZZRKSDX-UHFFFAOYSA-N -1 3 399.455 0.361 20 0 GCADHM COC(=O)CCc1nc(COC(=O)COc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000736919650 598842702 /nfs/dbraw/zinc/84/27/02/598842702.db2.gz VGJUTXHWDHGBHD-UHFFFAOYSA-N -1 3 388.340 0.478 20 0 GCADHM CN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736842763 598843247 /nfs/dbraw/zinc/84/32/47/598843247.db2.gz WVSNBPXXAPBKMU-UHFFFAOYSA-N -1 3 376.373 0.930 20 0 GCADHM CN(c1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736842763 598843249 /nfs/dbraw/zinc/84/32/49/598843249.db2.gz WVSNBPXXAPBKMU-UHFFFAOYSA-N -1 3 376.373 0.930 20 0 GCADHM COC(=O)N[C@@H](C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)C(C)C ZINC000736935220 598846083 /nfs/dbraw/zinc/84/60/83/598846083.db2.gz GMXHKGSGZZZITH-SNVBAGLBSA-N -1 3 382.402 0.791 20 0 GCADHM COC(=O)N[C@@H](C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)C(C)C ZINC000736935220 598846084 /nfs/dbraw/zinc/84/60/84/598846084.db2.gz GMXHKGSGZZZITH-SNVBAGLBSA-N -1 3 382.402 0.791 20 0 GCADHM COC(=O)N[C@@H](C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)C(C)C ZINC000736936006 598846099 /nfs/dbraw/zinc/84/60/99/598846099.db2.gz MFLSODNZGPVUPK-GFCCVEGCSA-N -1 3 394.388 0.939 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736292476 598846371 /nfs/dbraw/zinc/84/63/71/598846371.db2.gz JTBVJDXFPHWZTM-LLVKDONJSA-N -1 3 381.483 0.745 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736292476 598846372 /nfs/dbraw/zinc/84/63/72/598846372.db2.gz JTBVJDXFPHWZTM-LLVKDONJSA-N -1 3 381.483 0.745 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)n1C ZINC000737522659 598847039 /nfs/dbraw/zinc/84/70/39/598847039.db2.gz PDQRHXOJPKEOEE-FPLPWBNLSA-N -1 3 393.455 0.661 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)n1C ZINC000737522659 598847040 /nfs/dbraw/zinc/84/70/40/598847040.db2.gz PDQRHXOJPKEOEE-FPLPWBNLSA-N -1 3 393.455 0.661 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1ccnc(-n2cccn2)c1 ZINC000738081276 598847350 /nfs/dbraw/zinc/84/73/50/598847350.db2.gz ACDUHYQGBNYLRJ-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1ccnc(-n2cccn2)c1 ZINC000738081276 598847352 /nfs/dbraw/zinc/84/73/52/598847352.db2.gz ACDUHYQGBNYLRJ-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1ccnc(N2CCCC2)n1 ZINC000738083921 598847458 /nfs/dbraw/zinc/84/74/58/598847458.db2.gz XHZOKXGNQHILBT-UHFFFAOYSA-N -1 3 380.416 0.494 20 0 GCADHM O=C(COC[C@H]1CCCO1)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737915213 598848521 /nfs/dbraw/zinc/84/85/21/598848521.db2.gz AENDZSGPWPEPPC-HUUCEWRRSA-N -1 3 387.396 0.711 20 0 GCADHM O=C(COC[C@H]1CCCO1)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737915213 598848523 /nfs/dbraw/zinc/84/85/23/598848523.db2.gz AENDZSGPWPEPPC-HUUCEWRRSA-N -1 3 387.396 0.711 20 0 GCADHM C[C@H](OC(=O)COC[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736156500 598848787 /nfs/dbraw/zinc/84/87/87/598848787.db2.gz WUBCZDNNTVBZQE-RYUDHWBXSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@H](OC(=O)COC[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736156500 598848789 /nfs/dbraw/zinc/84/87/89/598848789.db2.gz WUBCZDNNTVBZQE-RYUDHWBXSA-N -1 3 375.385 0.933 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1ccnc(N2CCCC2)n1 ZINC000738083921 598847456 /nfs/dbraw/zinc/84/74/56/598847456.db2.gz XHZOKXGNQHILBT-UHFFFAOYSA-N -1 3 380.416 0.494 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN(C)CC(=O)N1CCOCC1 ZINC000737525531 598851611 /nfs/dbraw/zinc/85/16/11/598851611.db2.gz RONZUQOCSJOQEQ-UHFFFAOYSA-N -1 3 397.443 0.182 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN(C)CC(=O)N1CCOCC1 ZINC000737525531 598851613 /nfs/dbraw/zinc/85/16/13/598851613.db2.gz RONZUQOCSJOQEQ-UHFFFAOYSA-N -1 3 397.443 0.182 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736657305 598852073 /nfs/dbraw/zinc/85/20/73/598852073.db2.gz RYAVXKIUNABSQU-JTQLQIEISA-N -1 3 384.437 0.970 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736657305 598852074 /nfs/dbraw/zinc/85/20/74/598852074.db2.gz RYAVXKIUNABSQU-JTQLQIEISA-N -1 3 384.437 0.970 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000736037373 598852229 /nfs/dbraw/zinc/85/22/29/598852229.db2.gz GHTROXGNLWAUTP-LLVKDONJSA-N -1 3 398.514 0.832 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000736037373 598852231 /nfs/dbraw/zinc/85/22/31/598852231.db2.gz GHTROXGNLWAUTP-LLVKDONJSA-N -1 3 398.514 0.832 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735572560 598853493 /nfs/dbraw/zinc/85/34/93/598853493.db2.gz XLOSSFAYAIWXFD-ZJUUUORDSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735572560 598853495 /nfs/dbraw/zinc/85/34/95/598853495.db2.gz XLOSSFAYAIWXFD-ZJUUUORDSA-N -1 3 384.437 0.969 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCS(=O)(=O)[C@H](C)C1 ZINC000737523873 598853499 /nfs/dbraw/zinc/85/34/99/598853499.db2.gz KNLAEYOGYCZCFO-LLVKDONJSA-N -1 3 388.457 0.510 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCS(=O)(=O)[C@H](C)C1 ZINC000737523873 598853501 /nfs/dbraw/zinc/85/35/01/598853501.db2.gz KNLAEYOGYCZCFO-LLVKDONJSA-N -1 3 388.457 0.510 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCc1cc2c([nH]c1=O)CCC2 ZINC000738081489 598853630 /nfs/dbraw/zinc/85/36/30/598853630.db2.gz DJUIDKRIQQNBPI-UHFFFAOYSA-N -1 3 395.427 0.762 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCc1cc2c([nH]c1=O)CCC2 ZINC000738081489 598853631 /nfs/dbraw/zinc/85/36/31/598853631.db2.gz DJUIDKRIQQNBPI-UHFFFAOYSA-N -1 3 395.427 0.762 20 0 GCADHM C[C@]1(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCOC1 ZINC000736214820 598854092 /nfs/dbraw/zinc/85/40/92/598854092.db2.gz QQEICDVFFFOCEG-MRXNPFEDSA-N -1 3 396.354 0.949 20 0 GCADHM C[C@]1(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCOC1 ZINC000736214820 598854094 /nfs/dbraw/zinc/85/40/94/598854094.db2.gz QQEICDVFFFOCEG-MRXNPFEDSA-N -1 3 396.354 0.949 20 0 GCADHM CCN(C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H](C)CS(=O)(=O)CC ZINC000736503633 598854110 /nfs/dbraw/zinc/85/41/10/598854110.db2.gz ZCIAYFVIKJQUDK-LLVKDONJSA-N -1 3 394.457 0.477 20 0 GCADHM CCN(C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H](C)CS(=O)(=O)CC ZINC000736503633 598854111 /nfs/dbraw/zinc/85/41/11/598854111.db2.gz ZCIAYFVIKJQUDK-LLVKDONJSA-N -1 3 394.457 0.477 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736656234 598854126 /nfs/dbraw/zinc/85/41/26/598854126.db2.gz IOPOTANVBVMXNK-SNVBAGLBSA-N -1 3 380.430 0.087 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736656234 598854128 /nfs/dbraw/zinc/85/41/28/598854128.db2.gz IOPOTANVBVMXNK-SNVBAGLBSA-N -1 3 380.430 0.087 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735572945 598855226 /nfs/dbraw/zinc/85/52/26/598855226.db2.gz ZEUZCSGKHIUEJB-IUCAKERBSA-N -1 3 398.420 0.224 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735572945 598855227 /nfs/dbraw/zinc/85/52/27/598855227.db2.gz ZEUZCSGKHIUEJB-IUCAKERBSA-N -1 3 398.420 0.224 20 0 GCADHM CC(C)C(=O)N1CCCC[C@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735684880 598856775 /nfs/dbraw/zinc/85/67/75/598856775.db2.gz WYRKVZSNJXIQHF-LBPRGKRZSA-N -1 3 376.421 0.226 20 0 GCADHM CC(C)C(=O)N1CCCC[C@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735684880 598856776 /nfs/dbraw/zinc/85/67/76/598856776.db2.gz WYRKVZSNJXIQHF-LBPRGKRZSA-N -1 3 376.421 0.226 20 0 GCADHM CC(C)C(=O)N1CCCC[C@@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735684879 598857172 /nfs/dbraw/zinc/85/71/72/598857172.db2.gz WYRKVZSNJXIQHF-GFCCVEGCSA-N -1 3 376.421 0.226 20 0 GCADHM CC(C)C(=O)N1CCCC[C@@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735684879 598857173 /nfs/dbraw/zinc/85/71/73/598857173.db2.gz WYRKVZSNJXIQHF-GFCCVEGCSA-N -1 3 376.421 0.226 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2cccnn2)CC1 ZINC000736900233 598860845 /nfs/dbraw/zinc/86/08/45/598860845.db2.gz DGARUBXUMDATQN-MRXNPFEDSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cccnn2)CC1 ZINC000736900233 598860846 /nfs/dbraw/zinc/86/08/46/598860846.db2.gz DGARUBXUMDATQN-MRXNPFEDSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000736900072 598860854 /nfs/dbraw/zinc/86/08/54/598860854.db2.gz CJIXFZVWCHWFEZ-HUUCEWRRSA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000736900072 598860855 /nfs/dbraw/zinc/86/08/55/598860855.db2.gz CJIXFZVWCHWFEZ-HUUCEWRRSA-N -1 3 385.428 0.570 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2nccn2C)CC1 ZINC000736899619 598861593 /nfs/dbraw/zinc/86/15/93/598861593.db2.gz CBNWTQSODRKOSP-KRWDZBQOSA-N -1 3 396.455 0.632 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2nccn2C)CC1 ZINC000736899619 598861596 /nfs/dbraw/zinc/86/15/96/598861596.db2.gz CBNWTQSODRKOSP-KRWDZBQOSA-N -1 3 396.455 0.632 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NC[C@H]1CCCO1 ZINC000737826102 598861954 /nfs/dbraw/zinc/86/19/54/598861954.db2.gz PNURELFQCYANRJ-KGLIPLIRSA-N -1 3 399.411 0.367 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NC[C@H]1CCCO1 ZINC000737826102 598861956 /nfs/dbraw/zinc/86/19/56/598861956.db2.gz PNURELFQCYANRJ-KGLIPLIRSA-N -1 3 399.411 0.367 20 0 GCADHM C[C@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736291895 598862990 /nfs/dbraw/zinc/86/29/90/598862990.db2.gz DPDUIEGUZALSKX-FZMZJTMJSA-N -1 3 399.411 0.319 20 0 GCADHM C[C@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736291895 598862992 /nfs/dbraw/zinc/86/29/92/598862992.db2.gz DPDUIEGUZALSKX-FZMZJTMJSA-N -1 3 399.411 0.319 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NCC(F)(F)F ZINC000737826172 598863315 /nfs/dbraw/zinc/86/33/15/598863315.db2.gz QXDYDMGUEXEBNF-SNVBAGLBSA-N -1 3 397.317 0.750 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NCC(F)(F)F ZINC000737826172 598863316 /nfs/dbraw/zinc/86/33/16/598863316.db2.gz QXDYDMGUEXEBNF-SNVBAGLBSA-N -1 3 397.317 0.750 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NCC1CCC1 ZINC000737823896 598863419 /nfs/dbraw/zinc/86/34/19/598863419.db2.gz CSHNQHWDFYBACE-AWEZNQCLSA-N -1 3 383.412 0.988 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NCC1CCC1 ZINC000737823896 598863421 /nfs/dbraw/zinc/86/34/21/598863421.db2.gz CSHNQHWDFYBACE-AWEZNQCLSA-N -1 3 383.412 0.988 20 0 GCADHM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735684475 598866506 /nfs/dbraw/zinc/86/65/06/598866506.db2.gz OIKQULPRRUSOCG-UHFFFAOYSA-N -1 3 382.421 0.495 20 0 GCADHM CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735684475 598866507 /nfs/dbraw/zinc/86/65/07/598866507.db2.gz OIKQULPRRUSOCG-UHFFFAOYSA-N -1 3 382.421 0.495 20 0 GCADHM C[C@@H]1C[C@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736233694 598866555 /nfs/dbraw/zinc/86/65/55/598866555.db2.gz GLZZOORTNVJKIV-SCDSUCTJSA-N -1 3 383.412 0.844 20 0 GCADHM C[C@@H]1C[C@H]1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736233694 598866557 /nfs/dbraw/zinc/86/65/57/598866557.db2.gz GLZZOORTNVJKIV-SCDSUCTJSA-N -1 3 383.412 0.844 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736599866 598867256 /nfs/dbraw/zinc/86/72/56/598867256.db2.gz FKPTVYOKPJDTLL-UHFFFAOYSA-N -1 3 384.393 0.469 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736599866 598867258 /nfs/dbraw/zinc/86/72/58/598867258.db2.gz FKPTVYOKPJDTLL-UHFFFAOYSA-N -1 3 384.393 0.469 20 0 GCADHM CCOCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736624435 598867251 /nfs/dbraw/zinc/86/72/51/598867251.db2.gz XZEMXFIOGOGESJ-ZDUSSCGKSA-N -1 3 387.400 0.224 20 0 GCADHM CCOCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736624435 598867253 /nfs/dbraw/zinc/86/72/53/598867253.db2.gz XZEMXFIOGOGESJ-ZDUSSCGKSA-N -1 3 387.400 0.224 20 0 GCADHM CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736782562 598868286 /nfs/dbraw/zinc/86/82/86/598868286.db2.gz DZOYIPKDAKEHLH-UHFFFAOYSA-N -1 3 394.388 0.536 20 0 GCADHM CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736782562 598868288 /nfs/dbraw/zinc/86/82/88/598868288.db2.gz DZOYIPKDAKEHLH-UHFFFAOYSA-N -1 3 394.388 0.536 20 0 GCADHM CNC(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736881844 598869928 /nfs/dbraw/zinc/86/99/28/598869928.db2.gz LNECNFDYCNCSNM-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM CNC(=O)c1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736881844 598869930 /nfs/dbraw/zinc/86/99/30/598869930.db2.gz LNECNFDYCNCSNM-UHFFFAOYSA-N -1 3 390.400 0.844 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000738320954 598872676 /nfs/dbraw/zinc/87/26/76/598872676.db2.gz TUQUURWNBRGJIO-LLVKDONJSA-N -1 3 395.420 0.184 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000738320954 598872677 /nfs/dbraw/zinc/87/26/77/598872677.db2.gz TUQUURWNBRGJIO-LLVKDONJSA-N -1 3 395.420 0.184 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCN(CC(F)F)CC1 ZINC000738348550 598873107 /nfs/dbraw/zinc/87/31/07/598873107.db2.gz VDDRWCFZYBVBCV-UHFFFAOYSA-N -1 3 376.364 0.577 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCN(CC(F)F)CC1 ZINC000738348550 598873110 /nfs/dbraw/zinc/87/31/10/598873110.db2.gz VDDRWCFZYBVBCV-UHFFFAOYSA-N -1 3 376.364 0.577 20 0 GCADHM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000735952075 598874380 /nfs/dbraw/zinc/87/43/80/598874380.db2.gz CTNROEAXKABPFY-UHFFFAOYSA-N -1 3 392.420 0.925 20 0 GCADHM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000735952075 598874382 /nfs/dbraw/zinc/87/43/82/598874382.db2.gz CTNROEAXKABPFY-UHFFFAOYSA-N -1 3 392.420 0.925 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736657257 598874484 /nfs/dbraw/zinc/87/44/84/598874484.db2.gz RKCAKUJSWLJALP-SECBINFHSA-N -1 3 391.450 0.450 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736657257 598874485 /nfs/dbraw/zinc/87/44/85/598874485.db2.gz RKCAKUJSWLJALP-SECBINFHSA-N -1 3 391.450 0.450 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736227336 598875656 /nfs/dbraw/zinc/87/56/56/598875656.db2.gz CCPYLPIRLKIZNL-IUCAKERBSA-N -1 3 389.434 0.202 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736227336 598875657 /nfs/dbraw/zinc/87/56/57/598875657.db2.gz CCPYLPIRLKIZNL-IUCAKERBSA-N -1 3 389.434 0.202 20 0 GCADHM Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)C2)cn1 ZINC000737607355 598876094 /nfs/dbraw/zinc/87/60/94/598876094.db2.gz YBINJIYPCSOWHI-NSHDSACASA-N -1 3 377.405 0.918 20 0 GCADHM Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)C2)cn1 ZINC000737607355 598876096 /nfs/dbraw/zinc/87/60/96/598876096.db2.gz YBINJIYPCSOWHI-NSHDSACASA-N -1 3 377.405 0.918 20 0 GCADHM CCC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736301793 598878336 /nfs/dbraw/zinc/87/83/36/598878336.db2.gz BOAGXCPPXZPDEB-ZDUSSCGKSA-N -1 3 386.368 0.594 20 0 GCADHM CCC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736301793 598878338 /nfs/dbraw/zinc/87/83/38/598878338.db2.gz BOAGXCPPXZPDEB-ZDUSSCGKSA-N -1 3 386.368 0.594 20 0 GCADHM O=C(COC(=O)COc1ccc(O)cc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737903787 598878553 /nfs/dbraw/zinc/87/85/53/598878553.db2.gz BFFQXWSDCHBKOH-UHFFFAOYSA-N -1 3 383.364 0.811 20 0 GCADHM O=C(COC(=O)COc1ccc(O)cc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737903787 598878554 /nfs/dbraw/zinc/87/85/54/598878554.db2.gz BFFQXWSDCHBKOH-UHFFFAOYSA-N -1 3 383.364 0.811 20 0 GCADHM Cc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)n[nH]1 ZINC000737270324 598878679 /nfs/dbraw/zinc/87/86/79/598878679.db2.gz GAVQQSGTUUHUQP-LBPRGKRZSA-N -1 3 395.383 0.742 20 0 GCADHM Cc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)n[nH]1 ZINC000737270324 598878681 /nfs/dbraw/zinc/87/86/81/598878681.db2.gz GAVQQSGTUUHUQP-LBPRGKRZSA-N -1 3 395.383 0.742 20 0 GCADHM COC[C@@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736967618 598882265 /nfs/dbraw/zinc/88/22/65/598882265.db2.gz BPYZFBRNTONXMJ-ZWNOBZJWSA-N -1 3 388.384 0.650 20 0 GCADHM COC[C@@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736967618 598882268 /nfs/dbraw/zinc/88/22/68/598882268.db2.gz BPYZFBRNTONXMJ-ZWNOBZJWSA-N -1 3 388.384 0.650 20 0 GCADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCN1CCCS1(=O)=O ZINC000736037031 598885636 /nfs/dbraw/zinc/88/56/36/598885636.db2.gz ITXXLQBUDSNKFH-GFCCVEGCSA-N -1 3 395.441 0.603 20 0 GCADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCN1CCCS1(=O)=O ZINC000736037031 598885639 /nfs/dbraw/zinc/88/56/39/598885639.db2.gz ITXXLQBUDSNKFH-GFCCVEGCSA-N -1 3 395.441 0.603 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CCCN(C(C)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897446 598896057 /nfs/dbraw/zinc/89/60/57/598896057.db2.gz MKMFZYKJQQNZCU-LSDHHAIUSA-N -1 3 387.396 0.883 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CCCN(C(C)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897446 598896058 /nfs/dbraw/zinc/89/60/58/598896058.db2.gz MKMFZYKJQQNZCU-LSDHHAIUSA-N -1 3 387.396 0.883 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000735559985 598896088 /nfs/dbraw/zinc/89/60/88/598896088.db2.gz BCKGOJMRCIPXLH-RYUDHWBXSA-N -1 3 393.473 0.194 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000735559985 598896089 /nfs/dbraw/zinc/89/60/89/598896089.db2.gz BCKGOJMRCIPXLH-RYUDHWBXSA-N -1 3 393.473 0.194 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898578 598896588 /nfs/dbraw/zinc/89/65/88/598896588.db2.gz PRCFHZAWIVVMHM-RYUDHWBXSA-N -1 3 380.382 0.059 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898578 598896590 /nfs/dbraw/zinc/89/65/90/598896590.db2.gz PRCFHZAWIVVMHM-RYUDHWBXSA-N -1 3 380.382 0.059 20 0 GCADHM Cc1nc(CN2CCN([C@H](C)C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)no1 ZINC000737477119 598898099 /nfs/dbraw/zinc/89/80/99/598898099.db2.gz JUHDVYVLFCOXNU-GFCCVEGCSA-N -1 3 397.443 0.703 20 0 GCADHM Cc1nc(CN2CCN([C@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)no1 ZINC000737477119 598898100 /nfs/dbraw/zinc/89/81/00/598898100.db2.gz JUHDVYVLFCOXNU-GFCCVEGCSA-N -1 3 397.443 0.703 20 0 GCADHM Cc1nc(CN2CCN([C@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000737477727 598898284 /nfs/dbraw/zinc/89/82/84/598898284.db2.gz NLIZNFMRSOHOJP-GFCCVEGCSA-N -1 3 397.443 0.703 20 0 GCADHM Cc1nc(CN2CCN([C@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000737477727 598898286 /nfs/dbraw/zinc/89/82/86/598898286.db2.gz NLIZNFMRSOHOJP-GFCCVEGCSA-N -1 3 397.443 0.703 20 0 GCADHM COC(=O)[C@H](OC(=O)c1ccc(C(N)=O)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899534 598899386 /nfs/dbraw/zinc/89/93/86/598899386.db2.gz NXZWWDMPTPMESM-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)[C@H](OC(=O)c1ccc(C(N)=O)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899534 598899388 /nfs/dbraw/zinc/89/93/88/598899388.db2.gz NXZWWDMPTPMESM-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM COCCN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)CC(=O)OC ZINC000736990554 598899613 /nfs/dbraw/zinc/89/96/13/598899613.db2.gz PWOVPNVXUQTXMZ-UHFFFAOYSA-N -1 3 382.808 0.580 20 0 GCADHM COCCN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)CC(=O)OC ZINC000736990554 598899614 /nfs/dbraw/zinc/89/96/14/598899614.db2.gz PWOVPNVXUQTXMZ-UHFFFAOYSA-N -1 3 382.808 0.580 20 0 GCADHM COCCCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736980858 598899643 /nfs/dbraw/zinc/89/96/43/598899643.db2.gz GESHJWCJWANDJN-UHFFFAOYSA-N -1 3 380.474 0.600 20 0 GCADHM COCCCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736980858 598899644 /nfs/dbraw/zinc/89/96/44/598899644.db2.gz GESHJWCJWANDJN-UHFFFAOYSA-N -1 3 380.474 0.600 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CSCN1C(C)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899894 598901002 /nfs/dbraw/zinc/90/10/02/598901002.db2.gz VZDHBRPZFOAIHL-QWHCGFSZSA-N -1 3 391.409 0.545 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CSCN1C(C)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899894 598901004 /nfs/dbraw/zinc/90/10/04/598901004.db2.gz VZDHBRPZFOAIHL-QWHCGFSZSA-N -1 3 391.409 0.545 20 0 GCADHM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738356703 598901129 /nfs/dbraw/zinc/90/11/29/598901129.db2.gz IPHOVIVMJXLTSN-QMMMGPOBSA-N -1 3 391.862 0.376 20 0 GCADHM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738356703 598901131 /nfs/dbraw/zinc/90/11/31/598901131.db2.gz IPHOVIVMJXLTSN-QMMMGPOBSA-N -1 3 391.862 0.376 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1ccccn1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736154768 598901835 /nfs/dbraw/zinc/90/18/35/598901835.db2.gz BVMMZAPDOGVZLD-LLVKDONJSA-N -1 3 395.379 0.562 20 0 GCADHM C[C@@H](OC(=O)CNC(=O)c1ccccn1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736154768 598901836 /nfs/dbraw/zinc/90/18/36/598901836.db2.gz BVMMZAPDOGVZLD-LLVKDONJSA-N -1 3 395.379 0.562 20 0 GCADHM C[C@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736154895 598903355 /nfs/dbraw/zinc/90/33/55/598903355.db2.gz ZWIYAHBFHKKPKA-WODVXLOZSA-N -1 3 399.407 0.979 20 0 GCADHM C[C@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736154895 598903356 /nfs/dbraw/zinc/90/33/56/598903356.db2.gz ZWIYAHBFHKKPKA-WODVXLOZSA-N -1 3 399.407 0.979 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738073865 598907133 /nfs/dbraw/zinc/90/71/33/598907133.db2.gz CCGYAQIBPZFPMP-SNVBAGLBSA-N -1 3 386.338 0.646 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738073865 598907134 /nfs/dbraw/zinc/90/71/34/598907134.db2.gz CCGYAQIBPZFPMP-SNVBAGLBSA-N -1 3 386.338 0.646 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738163159 598908553 /nfs/dbraw/zinc/90/85/53/598908553.db2.gz OYFZHKFWCDVBRJ-SNVBAGLBSA-N -1 3 388.281 0.734 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738163159 598908555 /nfs/dbraw/zinc/90/85/55/598908555.db2.gz OYFZHKFWCDVBRJ-SNVBAGLBSA-N -1 3 388.281 0.734 20 0 GCADHM O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738038822 598908565 /nfs/dbraw/zinc/90/85/65/598908565.db2.gz KCAATZGRCBZEQA-GFCCVEGCSA-N -1 3 376.373 0.856 20 0 GCADHM O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738038822 598908567 /nfs/dbraw/zinc/90/85/67/598908567.db2.gz KCAATZGRCBZEQA-GFCCVEGCSA-N -1 3 376.373 0.856 20 0 GCADHM COCCN(CC(=O)OC)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736990818 598911279 /nfs/dbraw/zinc/91/12/79/598911279.db2.gz SEAIRYDEJQNQMT-UHFFFAOYSA-N -1 3 379.442 0.748 20 0 GCADHM COCCN(CC(=O)OC)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736990818 598911280 /nfs/dbraw/zinc/91/12/80/598911280.db2.gz SEAIRYDEJQNQMT-UHFFFAOYSA-N -1 3 379.442 0.748 20 0 GCADHM COC(=O)C[C@H]1CSCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736913097 598912863 /nfs/dbraw/zinc/91/28/63/598912863.db2.gz YFIKAARKYTZOHT-LBPRGKRZSA-N -1 3 377.426 0.753 20 0 GCADHM COC(=O)C[C@H]1CSCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736913097 598912864 /nfs/dbraw/zinc/91/28/64/598912864.db2.gz YFIKAARKYTZOHT-LBPRGKRZSA-N -1 3 377.426 0.753 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC(n3ccnc3)C2)cc1 ZINC000737775565 598913137 /nfs/dbraw/zinc/91/31/37/598913137.db2.gz BPCPMZJDSHNLTO-UHFFFAOYSA-N -1 3 376.384 0.528 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC(n3ccnc3)C2)cc1 ZINC000737775565 598913139 /nfs/dbraw/zinc/91/31/39/598913139.db2.gz BPCPMZJDSHNLTO-UHFFFAOYSA-N -1 3 376.384 0.528 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000738146657 598913849 /nfs/dbraw/zinc/91/38/49/598913849.db2.gz ZDRJTKCOXGRGTE-VIFPVBQESA-N -1 3 386.803 0.855 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000738146657 598913850 /nfs/dbraw/zinc/91/38/50/598913850.db2.gz ZDRJTKCOXGRGTE-VIFPVBQESA-N -1 3 386.803 0.855 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCOc1cccnc1 ZINC000736635369 598924532 /nfs/dbraw/zinc/92/45/32/598924532.db2.gz MWADKTRUDYCNJX-UHFFFAOYSA-N -1 3 397.395 0.794 20 0 GCADHM CCOCCO[C@H](C)C(=O)Nc1nc(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736624488 598923655 /nfs/dbraw/zinc/92/36/55/598923655.db2.gz ZPYFTCAHOSSYDB-LLVKDONJSA-N -1 3 386.416 0.558 20 0 GCADHM Cc1nc(NC(=O)c2ccn(C)c(=O)c2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737481600 598924605 /nfs/dbraw/zinc/92/46/05/598924605.db2.gz AOYKTKWFQWEVGD-UHFFFAOYSA-N -1 3 377.368 0.129 20 0 GCADHM NS(=O)(=O)[C@H]1CCCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737765657 598926142 /nfs/dbraw/zinc/92/61/42/598926142.db2.gz VZMRZDISGGIOEK-ZDUSSCGKSA-N -1 3 396.498 0.379 20 0 GCADHM NS(=O)(=O)[C@H]1CCCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737765657 598926143 /nfs/dbraw/zinc/92/61/43/598926143.db2.gz VZMRZDISGGIOEK-ZDUSSCGKSA-N -1 3 396.498 0.379 20 0 GCADHM CCc1nncn1CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736711506 598930011 /nfs/dbraw/zinc/93/00/11/598930011.db2.gz YLOANMQPHHHYEA-UHFFFAOYSA-N -1 3 393.415 0.219 20 0 GCADHM CCc1nncn1CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736711506 598930012 /nfs/dbraw/zinc/93/00/12/598930012.db2.gz YLOANMQPHHHYEA-UHFFFAOYSA-N -1 3 393.415 0.219 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(CCn2cncn2)CC1 ZINC000736167748 598930270 /nfs/dbraw/zinc/93/02/70/598930270.db2.gz GGXOQPYLUNOMIE-AWEZNQCLSA-N -1 3 397.443 0.070 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1=O ZINC000735874427 598933897 /nfs/dbraw/zinc/93/38/97/598933897.db2.gz DOGPGFYDZQBMOO-CQSZACIVSA-N -1 3 395.427 0.374 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1=O ZINC000735874427 598933898 /nfs/dbraw/zinc/93/38/98/598933898.db2.gz DOGPGFYDZQBMOO-CQSZACIVSA-N -1 3 395.427 0.374 20 0 GCADHM NC(=O)c1ccc(N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)nc1 ZINC000737761172 598939237 /nfs/dbraw/zinc/93/92/37/598939237.db2.gz UYIPBZGYAZDOHG-UHFFFAOYSA-N -1 3 385.819 0.736 20 0 GCADHM NC(=O)c1ccc(N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)nc1 ZINC000737761172 598939238 /nfs/dbraw/zinc/93/92/38/598939238.db2.gz UYIPBZGYAZDOHG-UHFFFAOYSA-N -1 3 385.819 0.736 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)CC(=O)NCc1ccco1 ZINC000737297035 598948957 /nfs/dbraw/zinc/94/89/57/598948957.db2.gz QXSMLXAVMIMZRG-UHFFFAOYSA-N -1 3 390.425 0.705 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)CC(=O)NCc1ccco1 ZINC000737297035 598948960 /nfs/dbraw/zinc/94/89/60/598948960.db2.gz QXSMLXAVMIMZRG-UHFFFAOYSA-N -1 3 390.425 0.705 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)N1CCNC(=O)C1 ZINC000735569476 598949375 /nfs/dbraw/zinc/94/93/75/598949375.db2.gz IBFPSRMQCADIIQ-JTQLQIEISA-N -1 3 389.485 0.956 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)N1CCNC(=O)C1 ZINC000735569476 598949376 /nfs/dbraw/zinc/94/93/76/598949376.db2.gz IBFPSRMQCADIIQ-JTQLQIEISA-N -1 3 389.485 0.956 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000737299252 598950749 /nfs/dbraw/zinc/95/07/49/598950749.db2.gz WGUZTQVVTYBSJK-HNNXBMFYSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000737299252 598950750 /nfs/dbraw/zinc/95/07/50/598950750.db2.gz WGUZTQVVTYBSJK-HNNXBMFYSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000737299264 598950774 /nfs/dbraw/zinc/95/07/74/598950774.db2.gz WOMXGRYMGNYJPI-UHFFFAOYSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000737299264 598950776 /nfs/dbraw/zinc/95/07/76/598950776.db2.gz WOMXGRYMGNYJPI-UHFFFAOYSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000737295913 598954627 /nfs/dbraw/zinc/95/46/27/598954627.db2.gz ANJVQOBCXPTVJB-CYBMUJFWSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000737295913 598954628 /nfs/dbraw/zinc/95/46/28/598954628.db2.gz ANJVQOBCXPTVJB-CYBMUJFWSA-N -1 3 391.457 0.353 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000735474088 598954188 /nfs/dbraw/zinc/95/41/88/598954188.db2.gz GTRGOQSUZKNELU-CYBMUJFWSA-N -1 3 378.458 0.712 20 0 GCADHM CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000735474088 598954189 /nfs/dbraw/zinc/95/41/89/598954189.db2.gz GTRGOQSUZKNELU-CYBMUJFWSA-N -1 3 378.458 0.712 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736748882 598959927 /nfs/dbraw/zinc/95/99/27/598959927.db2.gz YVXJSYCNLUOOQF-GJZGRUSLSA-N -1 3 392.485 0.933 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736748882 598959928 /nfs/dbraw/zinc/95/99/28/598959928.db2.gz YVXJSYCNLUOOQF-GJZGRUSLSA-N -1 3 392.485 0.933 20 0 GCADHM NC(=O)NC(=O)COC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000737759597 598964496 /nfs/dbraw/zinc/96/44/96/598964496.db2.gz WFODIJGDONELSX-UHFFFAOYSA-N -1 3 396.363 0.797 20 0 GCADHM NC(=O)NC(=O)COC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000737759597 598964497 /nfs/dbraw/zinc/96/44/97/598964497.db2.gz WFODIJGDONELSX-UHFFFAOYSA-N -1 3 396.363 0.797 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736748135 598963954 /nfs/dbraw/zinc/96/39/54/598963954.db2.gz WCLUJMHBWWYDLP-CABCVRRESA-N -1 3 399.455 0.360 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736748135 598963956 /nfs/dbraw/zinc/96/39/56/598963956.db2.gz WCLUJMHBWWYDLP-CABCVRRESA-N -1 3 399.455 0.360 20 0 GCADHM C[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CCCO1 ZINC000736150582 598964228 /nfs/dbraw/zinc/96/42/28/598964228.db2.gz JUXHHEMDDXWBBB-AVGNSLFASA-N -1 3 389.412 0.861 20 0 GCADHM C[C@H](OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CCCO1 ZINC000736150582 598964229 /nfs/dbraw/zinc/96/42/29/598964229.db2.gz JUXHHEMDDXWBBB-AVGNSLFASA-N -1 3 389.412 0.861 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736746665 598968615 /nfs/dbraw/zinc/96/86/15/598968615.db2.gz NFCWVFURQCFELW-TZMCWYRMSA-N -1 3 385.428 0.568 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736746665 598968619 /nfs/dbraw/zinc/96/86/19/598968619.db2.gz NFCWVFURQCFELW-TZMCWYRMSA-N -1 3 385.428 0.568 20 0 GCADHM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(-c3nnn[n-]3)ccc1C)CC2 ZINC000736705872 598971419 /nfs/dbraw/zinc/97/14/19/598971419.db2.gz ONGAOSZJHPGWFA-GFCCVEGCSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1cc(-c3nn[n-]n3)ccc1C)CC2 ZINC000736705872 598971421 /nfs/dbraw/zinc/97/14/21/598971421.db2.gz ONGAOSZJHPGWFA-GFCCVEGCSA-N -1 3 388.457 0.622 20 0 GCADHM C[C@@H](O)CNC(=O)c1cccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736146880 598979467 /nfs/dbraw/zinc/97/94/67/598979467.db2.gz KFRAPXYMEASGOB-GFCCVEGCSA-N -1 3 396.407 0.995 20 0 GCADHM C[C@@H](O)CNC(=O)c1cccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736146880 598979469 /nfs/dbraw/zinc/97/94/69/598979469.db2.gz KFRAPXYMEASGOB-GFCCVEGCSA-N -1 3 396.407 0.995 20 0 GCADHM O=C(COc1cccc(C(=O)NCCO)c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737924807 598980049 /nfs/dbraw/zinc/98/00/49/598980049.db2.gz ITXPMRJZZFNCKO-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM O=C(COc1cccc(C(=O)NCCO)c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737924807 598980051 /nfs/dbraw/zinc/98/00/51/598980051.db2.gz ITXPMRJZZFNCKO-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C)CC(=O)N1CCOCC1 ZINC000737033734 598986649 /nfs/dbraw/zinc/98/66/49/598986649.db2.gz RMEPZLFIASYGNH-UHFFFAOYSA-N -1 3 376.417 0.045 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000735558811 598992135 /nfs/dbraw/zinc/99/21/35/598992135.db2.gz GFUCBJMFZQXDLN-VXGBXAGGSA-N -1 3 378.458 0.560 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000735558811 598992138 /nfs/dbraw/zinc/99/21/38/598992138.db2.gz GFUCBJMFZQXDLN-VXGBXAGGSA-N -1 3 378.458 0.560 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736791003 598993762 /nfs/dbraw/zinc/99/37/62/598993762.db2.gz KSJRPCBBAKSMIG-SWLSCSKDSA-N -1 3 390.469 0.339 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736791003 598993763 /nfs/dbraw/zinc/99/37/63/598993763.db2.gz KSJRPCBBAKSMIG-SWLSCSKDSA-N -1 3 390.469 0.339 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736791001 598993868 /nfs/dbraw/zinc/99/38/68/598993868.db2.gz KSJRPCBBAKSMIG-IUODEOHRSA-N -1 3 390.469 0.339 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736791001 598993870 /nfs/dbraw/zinc/99/38/70/598993870.db2.gz KSJRPCBBAKSMIG-IUODEOHRSA-N -1 3 390.469 0.339 20 0 GCADHM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736471164 598995576 /nfs/dbraw/zinc/99/55/76/598995576.db2.gz ICYWOWUWSDJKHS-ZDUSSCGKSA-N -1 3 399.498 0.763 20 0 GCADHM CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736471164 598995577 /nfs/dbraw/zinc/99/55/77/598995577.db2.gz ICYWOWUWSDJKHS-ZDUSSCGKSA-N -1 3 399.498 0.763 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000737223084 598997177 /nfs/dbraw/zinc/99/71/77/598997177.db2.gz ACBMYOZFMZTONY-HNNXBMFYSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000737223084 598997179 /nfs/dbraw/zinc/99/71/79/598997179.db2.gz ACBMYOZFMZTONY-HNNXBMFYSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000737223382 598997984 /nfs/dbraw/zinc/99/79/84/598997984.db2.gz GOUMOFWNCCJMIS-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCNC(=O)c1ccccc1 ZINC000737223382 598997986 /nfs/dbraw/zinc/99/79/86/598997986.db2.gz GOUMOFWNCCJMIS-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM COCC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000736966351 598998613 /nfs/dbraw/zinc/99/86/13/598998613.db2.gz MXUDOXMZKSJWFQ-UHFFFAOYSA-N -1 3 394.457 0.091 20 0 GCADHM COCC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000736966351 598998615 /nfs/dbraw/zinc/99/86/15/598998615.db2.gz MXUDOXMZKSJWFQ-UHFFFAOYSA-N -1 3 394.457 0.091 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCC(=O)NCc1ccccc1 ZINC000737224381 598999508 /nfs/dbraw/zinc/99/95/08/598999508.db2.gz SVPGZASPOVHXEM-UHFFFAOYSA-N -1 3 386.437 0.770 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCC(=O)NCc1ccccc1 ZINC000737224381 598999510 /nfs/dbraw/zinc/99/95/10/598999510.db2.gz SVPGZASPOVHXEM-UHFFFAOYSA-N -1 3 386.437 0.770 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000737224340 599002687 /nfs/dbraw/zinc/00/26/87/599002687.db2.gz RNFXRZKLDWTDLZ-NSHDSACASA-N -1 3 390.425 0.751 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000737224340 599002689 /nfs/dbraw/zinc/00/26/89/599002689.db2.gz RNFXRZKLDWTDLZ-NSHDSACASA-N -1 3 390.425 0.751 20 0 GCADHM COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736994494 599005263 /nfs/dbraw/zinc/00/52/63/599005263.db2.gz IYRQSZKGPGIHST-UHFFFAOYSA-N -1 3 383.430 0.375 20 0 GCADHM COCCN(CCC(=O)OC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736994494 599005266 /nfs/dbraw/zinc/00/52/66/599005266.db2.gz IYRQSZKGPGIHST-UHFFFAOYSA-N -1 3 383.430 0.375 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737162985 599010205 /nfs/dbraw/zinc/01/02/05/599010205.db2.gz UEYPNXIZXLTRSR-KBPBESRZSA-N -1 3 399.498 0.642 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737162985 599010207 /nfs/dbraw/zinc/01/02/07/599010207.db2.gz UEYPNXIZXLTRSR-KBPBESRZSA-N -1 3 399.498 0.642 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000737224202 599010276 /nfs/dbraw/zinc/01/02/76/599010276.db2.gz ORBFYYUZNDLQKD-STQMWFEESA-N -1 3 399.498 0.809 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000737224202 599010278 /nfs/dbraw/zinc/01/02/78/599010278.db2.gz ORBFYYUZNDLQKD-STQMWFEESA-N -1 3 399.498 0.809 20 0 GCADHM NC(=O)[C@H](Sc1nnc(C(F)(F)F)n1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737626 599012046 /nfs/dbraw/zinc/01/20/46/599012046.db2.gz BGDLJBDQNUVGFA-SSDOTTSWSA-N -1 3 385.335 0.510 20 0 GCADHM NC(=O)[C@H](Sc1nnc(C(F)(F)F)n1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737626 599012048 /nfs/dbraw/zinc/01/20/48/599012048.db2.gz BGDLJBDQNUVGFA-SSDOTTSWSA-N -1 3 385.335 0.510 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@@H](O)CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737968 599017402 /nfs/dbraw/zinc/01/74/02/599017402.db2.gz SUHVGPDXQFGJPG-JKSUJKDBSA-N -1 3 381.392 0.930 20 0 GCADHM NC(=O)[C@H](OC(=O)[C@@H](O)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737968 599017403 /nfs/dbraw/zinc/01/74/03/599017403.db2.gz SUHVGPDXQFGJPG-JKSUJKDBSA-N -1 3 381.392 0.930 20 0 GCADHM CCc1noc(CS(=O)(=O)CCOc2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC000736713522 599019529 /nfs/dbraw/zinc/01/95/29/599019529.db2.gz PRHFMJOOXCSNJY-UHFFFAOYSA-N -1 3 394.413 0.815 20 0 GCADHM CCc1noc(CS(=O)(=O)CCOc2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC000736713522 599019531 /nfs/dbraw/zinc/01/95/31/599019531.db2.gz PRHFMJOOXCSNJY-UHFFFAOYSA-N -1 3 394.413 0.815 20 0 GCADHM CN(C)C(=O)c1cc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC000736752327 599022486 /nfs/dbraw/zinc/02/24/86/599022486.db2.gz VGPYYLRLYXYXEB-UHFFFAOYSA-N -1 3 396.415 0.592 20 0 GCADHM CN(C)C(=O)c1cc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC000736752327 599022488 /nfs/dbraw/zinc/02/24/88/599022488.db2.gz VGPYYLRLYXYXEB-UHFFFAOYSA-N -1 3 396.415 0.592 20 0 GCADHM O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738042143 599026459 /nfs/dbraw/zinc/02/64/59/599026459.db2.gz VOUZPTJDVJHGQH-ZDUSSCGKSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@H](O)c1c(F)cccc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738042143 599026461 /nfs/dbraw/zinc/02/64/61/599026461.db2.gz VOUZPTJDVJHGQH-ZDUSSCGKSA-N -1 3 388.334 0.933 20 0 GCADHM Cn1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737601344 599033177 /nfs/dbraw/zinc/03/31/77/599033177.db2.gz CJXSRDRWPFBKLX-KRWDZBQOSA-N -1 3 380.368 0.250 20 0 GCADHM Cn1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737601344 599033179 /nfs/dbraw/zinc/03/31/79/599033179.db2.gz CJXSRDRWPFBKLX-KRWDZBQOSA-N -1 3 380.368 0.250 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nnn[n-]4)cn3)cn2)C[C@@H](C)O1 ZINC000820734064 599035570 /nfs/dbraw/zinc/03/55/70/599035570.db2.gz KVIGIWOWPWYFLO-VXGBXAGGSA-N -1 3 383.416 0.838 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(Nc3ccc(-c4nn[n-]n4)cn3)cn2)C[C@@H](C)O1 ZINC000820734064 599035573 /nfs/dbraw/zinc/03/55/73/599035573.db2.gz KVIGIWOWPWYFLO-VXGBXAGGSA-N -1 3 383.416 0.838 20 0 GCADHM NC(=O)C1(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCCC1 ZINC000737739411 599037297 /nfs/dbraw/zinc/03/72/97/599037297.db2.gz PFOKAAKHVWWSTC-UHFFFAOYSA-N -1 3 395.427 0.410 20 0 GCADHM NC(=O)C1(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCCC1 ZINC000737739411 599037300 /nfs/dbraw/zinc/03/73/00/599037300.db2.gz PFOKAAKHVWWSTC-UHFFFAOYSA-N -1 3 395.427 0.410 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736592269 599041088 /nfs/dbraw/zinc/04/10/88/599041088.db2.gz BRSLHJUMLAOARB-SMDDNHRTSA-N -1 3 375.385 0.425 20 0 GCADHM CS(=O)(=O)N1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000737164719 599041591 /nfs/dbraw/zinc/04/15/91/599041591.db2.gz AOLBTIVBFOZFQP-UHFFFAOYSA-N -1 3 377.352 0.362 20 0 GCADHM CS(=O)(=O)N1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000737164719 599041593 /nfs/dbraw/zinc/04/15/93/599041593.db2.gz AOLBTIVBFOZFQP-UHFFFAOYSA-N -1 3 377.352 0.362 20 0 GCADHM CS(=O)(=O)N1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000737164911 599042230 /nfs/dbraw/zinc/04/22/30/599042230.db2.gz CYSUZJYCLPIVLK-UHFFFAOYSA-N -1 3 391.379 0.752 20 0 GCADHM CS(=O)(=O)N1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000737164911 599042233 /nfs/dbraw/zinc/04/22/33/599042233.db2.gz CYSUZJYCLPIVLK-UHFFFAOYSA-N -1 3 391.379 0.752 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Nc3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000737611241 599048259 /nfs/dbraw/zinc/04/82/59/599048259.db2.gz TZEMWFLYNAWSRB-UHFFFAOYSA-N -1 3 389.445 0.260 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Nc3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000737611241 599048262 /nfs/dbraw/zinc/04/82/62/599048262.db2.gz TZEMWFLYNAWSRB-UHFFFAOYSA-N -1 3 389.445 0.260 20 0 GCADHM CCOC(=O)[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000736595019 599048722 /nfs/dbraw/zinc/04/87/22/599048722.db2.gz UOVZIOLSKUZZEH-LLVKDONJSA-N -1 3 378.389 0.279 20 0 GCADHM CCOC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000736594974 599048803 /nfs/dbraw/zinc/04/88/03/599048803.db2.gz UNJOYHBXWMSISG-CMPLNLGQSA-N -1 3 392.416 0.667 20 0 GCADHM CCN1CCN(C(=O)CNc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736568150 599053550 /nfs/dbraw/zinc/05/35/50/599053550.db2.gz BBBGOKYEWUMRIL-UHFFFAOYSA-N -1 3 384.366 0.857 20 0 GCADHM CCN1CCN(C(=O)CNc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736568150 599053553 /nfs/dbraw/zinc/05/35/53/599053553.db2.gz BBBGOKYEWUMRIL-UHFFFAOYSA-N -1 3 384.366 0.857 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)[C@@H]2CCO[C@H]21 ZINC000736207354 599054738 /nfs/dbraw/zinc/05/47/38/599054738.db2.gz RIHWUECJMWCEHS-NUEKZKHPSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[C@@H]2CCO[C@H]21 ZINC000736207354 599054741 /nfs/dbraw/zinc/05/47/41/599054741.db2.gz RIHWUECJMWCEHS-NUEKZKHPSA-N -1 3 398.471 0.907 20 0 GCADHM CNS(=O)(=O)C1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736883832 599056496 /nfs/dbraw/zinc/05/64/96/599056496.db2.gz SNYGJMREMFGYSN-UHFFFAOYSA-N -1 3 391.379 0.799 20 0 GCADHM CNS(=O)(=O)C1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736883832 599056499 /nfs/dbraw/zinc/05/64/99/599056499.db2.gz SNYGJMREMFGYSN-UHFFFAOYSA-N -1 3 391.379 0.799 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737765016 599057135 /nfs/dbraw/zinc/05/71/35/599057135.db2.gz QMBSUDHJWDJQON-QMMMGPOBSA-N -1 3 391.379 0.785 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737765016 599057137 /nfs/dbraw/zinc/05/71/37/599057137.db2.gz QMBSUDHJWDJQON-QMMMGPOBSA-N -1 3 391.379 0.785 20 0 GCADHM CN(C)Cc1cc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)ccc1F ZINC000736771438 599058531 /nfs/dbraw/zinc/05/85/31/599058531.db2.gz LRVDJKJKGZLRGS-UHFFFAOYSA-N -1 3 388.407 0.077 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736966422 599058754 /nfs/dbraw/zinc/05/87/54/599058754.db2.gz OYXGDBDPATUDDB-HNNXBMFYSA-N -1 3 390.400 0.136 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736966422 599058757 /nfs/dbraw/zinc/05/87/57/599058757.db2.gz OYXGDBDPATUDDB-HNNXBMFYSA-N -1 3 390.400 0.136 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736966405 599058932 /nfs/dbraw/zinc/05/89/32/599058932.db2.gz OHZOPJLRNAUEGZ-HNNXBMFYSA-N -1 3 377.401 0.576 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737756609 599061851 /nfs/dbraw/zinc/06/18/51/599061851.db2.gz XOMDPYZIBMMREW-INIZCTEOSA-N -1 3 377.408 0.717 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737756609 599061854 /nfs/dbraw/zinc/06/18/54/599061854.db2.gz XOMDPYZIBMMREW-INIZCTEOSA-N -1 3 377.408 0.717 20 0 GCADHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736191998 599064862 /nfs/dbraw/zinc/06/48/62/599064862.db2.gz JRFQTWDQVJTKPI-WCBMZHEXSA-N -1 3 385.446 0.790 20 0 GCADHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736191998 599064865 /nfs/dbraw/zinc/06/48/65/599064865.db2.gz JRFQTWDQVJTKPI-WCBMZHEXSA-N -1 3 385.446 0.790 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000737739860 599066165 /nfs/dbraw/zinc/06/61/65/599066165.db2.gz RIVPBEFWHQMNPT-KRWDZBQOSA-N -1 3 379.424 0.921 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000737739860 599066168 /nfs/dbraw/zinc/06/61/68/599066168.db2.gz RIVPBEFWHQMNPT-KRWDZBQOSA-N -1 3 379.424 0.921 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000737738431 599066634 /nfs/dbraw/zinc/06/66/34/599066634.db2.gz JDZVYUDJUGFDST-HNNXBMFYSA-N -1 3 381.396 0.444 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000737738431 599066636 /nfs/dbraw/zinc/06/66/36/599066636.db2.gz JDZVYUDJUGFDST-HNNXBMFYSA-N -1 3 381.396 0.444 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000737740374 599073802 /nfs/dbraw/zinc/07/38/02/599073802.db2.gz SJXKWFBXKIPGKG-ZIAGYGMSSA-N -1 3 396.411 0.727 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000737740374 599073805 /nfs/dbraw/zinc/07/38/05/599073805.db2.gz SJXKWFBXKIPGKG-ZIAGYGMSSA-N -1 3 396.411 0.727 20 0 GCADHM CN([C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000736779931 599074886 /nfs/dbraw/zinc/07/48/86/599074886.db2.gz QRVBJRKRIWLSCH-WBVHZDCISA-N -1 3 393.455 0.784 20 0 GCADHM COc1ccnc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000737160098 599074933 /nfs/dbraw/zinc/07/49/33/599074933.db2.gz RQUHTYKESFFOIG-QGZVFWFLSA-N -1 3 394.439 0.619 20 0 GCADHM Cc1cc(C)n(C[C@@H]2CN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000737257346 599075230 /nfs/dbraw/zinc/07/52/30/599075230.db2.gz RJXQDCLTDXBKHX-DLBZAZTESA-N -1 3 396.455 0.607 20 0 GCADHM Cc1cc(C)n(C[C@@H]2CN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000737257346 599075234 /nfs/dbraw/zinc/07/52/34/599075234.db2.gz RJXQDCLTDXBKHX-DLBZAZTESA-N -1 3 396.455 0.607 20 0 GCADHM Cc1cnn(C[C@H]2CN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737443289 599075515 /nfs/dbraw/zinc/07/55/15/599075515.db2.gz IMYNFIFPPAQKBA-CVEARBPZSA-N -1 3 382.428 0.299 20 0 GCADHM Cc1cnn(C[C@H]2CN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737443289 599075518 /nfs/dbraw/zinc/07/55/18/599075518.db2.gz IMYNFIFPPAQKBA-CVEARBPZSA-N -1 3 382.428 0.299 20 0 GCADHM Cc1nc(C)n([C@H]2CCCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737473121 599075675 /nfs/dbraw/zinc/07/56/75/599075675.db2.gz FBJONSKECKURHJ-HOTGVXAUSA-N -1 3 381.444 0.939 20 0 GCADHM Cc1ncc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000737492491 599076013 /nfs/dbraw/zinc/07/60/13/599076013.db2.gz TXGGWQJZHDCDGL-INIZCTEOSA-N -1 3 398.496 0.976 20 0 GCADHM Cc1ncc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000737492491 599076016 /nfs/dbraw/zinc/07/60/16/599076016.db2.gz TXGGWQJZHDCDGL-INIZCTEOSA-N -1 3 398.496 0.976 20 0 GCADHM Cc1ccc(N2CCCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000737353866 599076027 /nfs/dbraw/zinc/07/60/27/599076027.db2.gz XXPFSRLUQGMYGI-QGZVFWFLSA-N -1 3 393.455 0.704 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000737737623 599076060 /nfs/dbraw/zinc/07/60/60/599076060.db2.gz BFRFRVOIUPROJD-MRXNPFEDSA-N -1 3 379.428 0.760 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000737737622 599076188 /nfs/dbraw/zinc/07/61/88/599076188.db2.gz BFRFRVOIUPROJD-INIZCTEOSA-N -1 3 379.428 0.760 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](OCCO)C2)c(-c2nnn[n-]2)c1C ZINC000737548911 599077522 /nfs/dbraw/zinc/07/75/22/599077522.db2.gz QMVLAZJPKZXUQK-DGCLKSJQSA-N -1 3 378.433 0.877 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCC[C@@H](OCCO)C2)c(-c2nn[n-]n2)c1C ZINC000737548911 599077525 /nfs/dbraw/zinc/07/75/25/599077525.db2.gz QMVLAZJPKZXUQK-DGCLKSJQSA-N -1 3 378.433 0.877 20 0 GCADHM CN(CC(=O)NCc1cccs1)[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736783047 599077992 /nfs/dbraw/zinc/07/79/92/599077992.db2.gz HQMSRDMJSQDGHT-HNNXBMFYSA-N -1 3 385.453 0.703 20 0 GCADHM CN(CC(=O)NCc1cccs1)[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736783047 599077994 /nfs/dbraw/zinc/07/79/94/599077994.db2.gz HQMSRDMJSQDGHT-HNNXBMFYSA-N -1 3 385.453 0.703 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737007059 599093801 /nfs/dbraw/zinc/09/38/01/599093801.db2.gz PVPQUZRFPGVOCS-UHFFFAOYSA-N -1 3 384.400 0.007 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737007059 599093803 /nfs/dbraw/zinc/09/38/03/599093803.db2.gz PVPQUZRFPGVOCS-UHFFFAOYSA-N -1 3 384.400 0.007 20 0 GCADHM COc1ccc(CNC(=O)CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737091815 599095646 /nfs/dbraw/zinc/09/56/46/599095646.db2.gz GATXPZSZOABODH-KRWDZBQOSA-N -1 3 395.423 0.308 20 0 GCADHM COc1ccc(CNC(=O)CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737091815 599095649 /nfs/dbraw/zinc/09/56/49/599095649.db2.gz GATXPZSZOABODH-KRWDZBQOSA-N -1 3 395.423 0.308 20 0 GCADHM CN(CCc1ccccn1)C(=O)CN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736807592 599097603 /nfs/dbraw/zinc/09/76/03/599097603.db2.gz VSVHESFBEKJTBX-QGZVFWFLSA-N -1 3 394.439 0.079 20 0 GCADHM CN(CCc1ccccn1)C(=O)CN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736807592 599097606 /nfs/dbraw/zinc/09/76/06/599097606.db2.gz VSVHESFBEKJTBX-QGZVFWFLSA-N -1 3 394.439 0.079 20 0 GCADHM NC(=O)[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737732260 599098119 /nfs/dbraw/zinc/09/81/19/599098119.db2.gz XLMHFSGMKBQIGY-JKSUJKDBSA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737732260 599098123 /nfs/dbraw/zinc/09/81/23/599098123.db2.gz XLMHFSGMKBQIGY-JKSUJKDBSA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@@H](NCCN1C(=O)Cc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736718 599098852 /nfs/dbraw/zinc/09/88/52/599098852.db2.gz LKACJSRIZHMBDC-KRWDZBQOSA-N -1 3 377.408 0.572 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000737776622 599100523 /nfs/dbraw/zinc/10/05/23/599100523.db2.gz MYLLNNYNPGTICZ-BXUZGUMPSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000737776622 599100525 /nfs/dbraw/zinc/10/05/25/599100525.db2.gz MYLLNNYNPGTICZ-BXUZGUMPSA-N -1 3 382.428 0.916 20 0 GCADHM NC(=O)[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729698 599100820 /nfs/dbraw/zinc/10/08/20/599100820.db2.gz BSBJNVAVEFYYIK-ZBFHGGJFSA-N -1 3 395.398 0.927 20 0 GCADHM NC(=O)[C@@H](N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729698 599100822 /nfs/dbraw/zinc/10/08/22/599100822.db2.gz BSBJNVAVEFYYIK-ZBFHGGJFSA-N -1 3 395.398 0.927 20 0 GCADHM C[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)c1cnn(C)c1 ZINC000736119014 599101674 /nfs/dbraw/zinc/10/16/74/599101674.db2.gz MBPCUHGRIMWRMD-JTQLQIEISA-N -1 3 378.400 0.859 20 0 GCADHM C[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)c1cnn(C)c1 ZINC000736119014 599101677 /nfs/dbraw/zinc/10/16/77/599101677.db2.gz MBPCUHGRIMWRMD-JTQLQIEISA-N -1 3 378.400 0.859 20 0 GCADHM Cn1nc2c(cc1=O)CN(Cc1nnc(-c3ccc(-c4nnn[n-]4)cc3)o1)CC2 ZINC000822709697 599103266 /nfs/dbraw/zinc/10/32/66/599103266.db2.gz QSMVSDWNPKTIKU-UHFFFAOYSA-N -1 3 391.395 0.569 20 0 GCADHM Cn1nc2c(cc1=O)CN(Cc1nnc(-c3ccc(-c4nn[n-]n4)cc3)o1)CC2 ZINC000822709697 599103270 /nfs/dbraw/zinc/10/32/70/599103270.db2.gz QSMVSDWNPKTIKU-UHFFFAOYSA-N -1 3 391.395 0.569 20 0 GCADHM Cn1nc2c(cc1=O)CN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)CC2 ZINC000822709432 599103856 /nfs/dbraw/zinc/10/38/56/599103856.db2.gz LWTCONUSTXZDMX-UHFFFAOYSA-N -1 3 378.318 0.937 20 0 GCADHM Cn1nc2c(cc1=O)CN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)CC2 ZINC000822709432 599103858 /nfs/dbraw/zinc/10/38/58/599103858.db2.gz LWTCONUSTXZDMX-UHFFFAOYSA-N -1 3 378.318 0.937 20 0 GCADHM COC[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736977642 599104902 /nfs/dbraw/zinc/10/49/02/599104902.db2.gz ZJASAZIGHFMAAY-SNVBAGLBSA-N -1 3 380.792 0.332 20 0 GCADHM COC[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000736977642 599104903 /nfs/dbraw/zinc/10/49/03/599104903.db2.gz ZJASAZIGHFMAAY-SNVBAGLBSA-N -1 3 380.792 0.332 20 0 GCADHM COC[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCO1 ZINC000736977023 599105559 /nfs/dbraw/zinc/10/55/59/599105559.db2.gz UHFGEWUOQHUAIB-CYBMUJFWSA-N -1 3 384.400 0.122 20 0 GCADHM COC[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCO1 ZINC000736977023 599105560 /nfs/dbraw/zinc/10/55/60/599105560.db2.gz UHFGEWUOQHUAIB-CYBMUJFWSA-N -1 3 384.400 0.122 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000738302601 599106161 /nfs/dbraw/zinc/10/61/61/599106161.db2.gz LWGFDUJFHLKWEG-UHFFFAOYSA-N -1 3 381.371 0.885 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000738302601 599106163 /nfs/dbraw/zinc/10/61/63/599106163.db2.gz LWGFDUJFHLKWEG-UHFFFAOYSA-N -1 3 381.371 0.885 20 0 GCADHM NC(=O)[C@H](OC(=O)COc1ccccc1C=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738414 599114335 /nfs/dbraw/zinc/11/43/35/599114335.db2.gz VAFLVTCFTSQALZ-MRXNPFEDSA-N -1 3 381.348 0.828 20 0 GCADHM NC(=O)[C@H](OC(=O)COc1ccccc1C=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738414 599114338 /nfs/dbraw/zinc/11/43/38/599114338.db2.gz VAFLVTCFTSQALZ-MRXNPFEDSA-N -1 3 381.348 0.828 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737741847 599111449 /nfs/dbraw/zinc/11/14/49/599111449.db2.gz QEIICTYSBGHOPG-AWEZNQCLSA-N -1 3 391.351 0.226 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737741847 599111452 /nfs/dbraw/zinc/11/14/52/599111452.db2.gz QEIICTYSBGHOPG-AWEZNQCLSA-N -1 3 391.351 0.226 20 0 GCADHM C[S@](=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737172410 599113331 /nfs/dbraw/zinc/11/33/31/599113331.db2.gz UGISIINMMVAVJW-ASHKIFAZSA-N -1 3 385.405 0.988 20 0 GCADHM C[S@](=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737172410 599113334 /nfs/dbraw/zinc/11/33/34/599113334.db2.gz UGISIINMMVAVJW-ASHKIFAZSA-N -1 3 385.405 0.988 20 0 GCADHM C[S@@](=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737172411 599113372 /nfs/dbraw/zinc/11/33/72/599113372.db2.gz UGISIINMMVAVJW-LOKFHWFJSA-N -1 3 385.405 0.988 20 0 GCADHM C[S@@](=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737172411 599113376 /nfs/dbraw/zinc/11/33/76/599113376.db2.gz UGISIINMMVAVJW-LOKFHWFJSA-N -1 3 385.405 0.988 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737508704 599115749 /nfs/dbraw/zinc/11/57/49/599115749.db2.gz HLKQAMIBIXLVCV-AWEZNQCLSA-N -1 3 383.368 0.170 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737508704 599115750 /nfs/dbraw/zinc/11/57/50/599115750.db2.gz HLKQAMIBIXLVCV-AWEZNQCLSA-N -1 3 383.368 0.170 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736918 599116123 /nfs/dbraw/zinc/11/61/23/599116123.db2.gz MYBZDUBSRPWHHZ-HNNXBMFYSA-N -1 3 398.354 0.505 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736918 599116124 /nfs/dbraw/zinc/11/61/24/599116124.db2.gz MYBZDUBSRPWHHZ-HNNXBMFYSA-N -1 3 398.354 0.505 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cnn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743994 599117333 /nfs/dbraw/zinc/11/73/33/599117333.db2.gz UASNPZZGNLALKY-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cnn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743994 599117336 /nfs/dbraw/zinc/11/73/36/599117336.db2.gz UASNPZZGNLALKY-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738106 599117408 /nfs/dbraw/zinc/11/74/08/599117408.db2.gz DIHMBYKYECFTIM-KRWDZBQOSA-N -1 3 395.375 0.950 20 0 GCADHM NC(=O)[C@@H](OC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738106 599117411 /nfs/dbraw/zinc/11/74/11/599117411.db2.gz DIHMBYKYECFTIM-KRWDZBQOSA-N -1 3 395.375 0.950 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000819854076 599118280 /nfs/dbraw/zinc/11/82/80/599118280.db2.gz AIZXYEZIBPPVBI-KOLCDFICSA-N -1 3 383.405 0.463 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000819854076 599118282 /nfs/dbraw/zinc/11/82/82/599118282.db2.gz AIZXYEZIBPPVBI-KOLCDFICSA-N -1 3 383.405 0.463 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000819854061 599118416 /nfs/dbraw/zinc/11/84/16/599118416.db2.gz AIZXYEZIBPPVBI-GXSJLCMTSA-N -1 3 383.405 0.463 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000819854061 599118417 /nfs/dbraw/zinc/11/84/17/599118417.db2.gz AIZXYEZIBPPVBI-GXSJLCMTSA-N -1 3 383.405 0.463 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@@H]1COc2ccccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737156 599118450 /nfs/dbraw/zinc/11/84/50/599118450.db2.gz ORSDIKYTYHAMDT-GJZGRUSLSA-N -1 3 381.348 0.776 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@@H]1COc2ccccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737156 599118451 /nfs/dbraw/zinc/11/84/51/599118451.db2.gz ORSDIKYTYHAMDT-GJZGRUSLSA-N -1 3 381.348 0.776 20 0 GCADHM Cn1ncc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1-n1cccc1 ZINC000737620738 599118591 /nfs/dbraw/zinc/11/85/91/599118591.db2.gz BNQIDZUWPNKZRT-AWEZNQCLSA-N -1 3 392.379 0.774 20 0 GCADHM Cn1ncc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1-n1cccc1 ZINC000737620738 599118593 /nfs/dbraw/zinc/11/85/93/599118593.db2.gz BNQIDZUWPNKZRT-AWEZNQCLSA-N -1 3 392.379 0.774 20 0 GCADHM C[C@@H](NC(=O)c1ccoc1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736124874 599122064 /nfs/dbraw/zinc/12/20/64/599122064.db2.gz IHYGHTWAVQSLEX-NOZJJQNGSA-N -1 3 384.352 0.348 20 0 GCADHM C[C@@H](NC(=O)c1ccoc1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736124874 599122065 /nfs/dbraw/zinc/12/20/65/599122065.db2.gz IHYGHTWAVQSLEX-NOZJJQNGSA-N -1 3 384.352 0.348 20 0 GCADHM C[C@@H](NC(=O)c1ccoc1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736124876 599122092 /nfs/dbraw/zinc/12/20/92/599122092.db2.gz IHYGHTWAVQSLEX-RNCFNFMXSA-N -1 3 384.352 0.348 20 0 GCADHM C[C@@H](NC(=O)c1ccoc1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736124876 599122094 /nfs/dbraw/zinc/12/20/94/599122094.db2.gz IHYGHTWAVQSLEX-RNCFNFMXSA-N -1 3 384.352 0.348 20 0 GCADHM C[C@@H](Sc1ncccn1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193884 599122530 /nfs/dbraw/zinc/12/25/30/599122530.db2.gz VIMHJIWUHIKKCQ-SKDRFNHKSA-N -1 3 385.409 0.907 20 0 GCADHM C[C@@H](Sc1ncccn1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193884 599122533 /nfs/dbraw/zinc/12/25/33/599122533.db2.gz VIMHJIWUHIKKCQ-SKDRFNHKSA-N -1 3 385.409 0.907 20 0 GCADHM NC(=O)c1ccc(OCC(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737761884 599124147 /nfs/dbraw/zinc/12/41/47/599124147.db2.gz UZJDGFMZXKVRFS-HNNXBMFYSA-N -1 3 396.363 0.114 20 0 GCADHM NC(=O)c1ccc(OCC(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737761884 599124149 /nfs/dbraw/zinc/12/41/49/599124149.db2.gz UZJDGFMZXKVRFS-HNNXBMFYSA-N -1 3 396.363 0.114 20 0 GCADHM COc1cccc([C@@H](O)C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737125801 599127036 /nfs/dbraw/zinc/12/70/36/599127036.db2.gz DXXQJKUGOBNBED-HUUCEWRRSA-N -1 3 383.364 0.679 20 0 GCADHM COc1cccc([C@@H](O)C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737125801 599127039 /nfs/dbraw/zinc/12/70/39/599127039.db2.gz DXXQJKUGOBNBED-HUUCEWRRSA-N -1 3 383.364 0.679 20 0 GCADHM CC(C)OCCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735895478 599129822 /nfs/dbraw/zinc/12/98/22/599129822.db2.gz ASGOORZBGHVZFI-UHFFFAOYSA-N -1 3 394.501 0.988 20 0 GCADHM CC(C)OCCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735895478 599129825 /nfs/dbraw/zinc/12/98/25/599129825.db2.gz ASGOORZBGHVZFI-UHFFFAOYSA-N -1 3 394.501 0.988 20 0 GCADHM CN(C)c1noc(CC[C@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000821592565 607258716 /nfs/dbraw/zinc/25/87/16/607258716.db2.gz LGNBAEPNUONIHE-LLVKDONJSA-N -1 3 383.372 0.373 20 0 GCADHM CN(C)c1noc(CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000821592565 607258717 /nfs/dbraw/zinc/25/87/17/607258717.db2.gz LGNBAEPNUONIHE-LLVKDONJSA-N -1 3 383.372 0.373 20 0 GCADHM CCNC(=O)N1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736575238 599142017 /nfs/dbraw/zinc/14/20/17/599142017.db2.gz CZFNHGAHVZVBBX-UHFFFAOYSA-N -1 3 378.462 0.604 20 0 GCADHM CCNC(=O)N1CCN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000736575238 599142018 /nfs/dbraw/zinc/14/20/18/599142018.db2.gz CZFNHGAHVZVBBX-UHFFFAOYSA-N -1 3 378.462 0.604 20 0 GCADHM CCOC(=O)C[C@H](C)S(=O)(=O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736595889 599147622 /nfs/dbraw/zinc/14/76/22/599147622.db2.gz YEDYHCPKDRYWLA-NSHDSACASA-N -1 3 395.441 0.239 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OCCOCC1CC1 ZINC000737895722 599149102 /nfs/dbraw/zinc/14/91/02/599149102.db2.gz RBPWANABPQCMDZ-UHFFFAOYSA-N -1 3 381.414 0.115 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OCCOCC1CC1 ZINC000737895722 599149104 /nfs/dbraw/zinc/14/91/04/599149104.db2.gz RBPWANABPQCMDZ-UHFFFAOYSA-N -1 3 381.414 0.115 20 0 GCADHM COCc1cc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)no1 ZINC000821694896 599151201 /nfs/dbraw/zinc/15/12/01/599151201.db2.gz ADTNKULDADKRBE-UHFFFAOYSA-N -1 3 384.400 0.795 20 0 GCADHM COCc1cc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)no1 ZINC000821694896 599151203 /nfs/dbraw/zinc/15/12/03/599151203.db2.gz ADTNKULDADKRBE-UHFFFAOYSA-N -1 3 384.400 0.795 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCc2c[nH]nc2C1 ZINC000823154499 599151985 /nfs/dbraw/zinc/15/19/85/599151985.db2.gz DDSUMBXRMFVKCI-LBPRGKRZSA-N -1 3 393.455 0.875 20 0 GCADHM COc1ccc(C=c2sc(=CC(=O)c3ccco3)[nH]c2=O)cc1-c1nnn[n-]1 ZINC000737081729 599153142 /nfs/dbraw/zinc/15/31/42/599153142.db2.gz AOHPNISJSRIWBO-UHFFFAOYSA-N -1 3 395.400 0.710 20 0 GCADHM COc1ccc(C=c2sc(=CC(=O)c3ccco3)[nH]c2=O)cc1-c1nn[n-]n1 ZINC000737081729 599153143 /nfs/dbraw/zinc/15/31/43/599153143.db2.gz AOHPNISJSRIWBO-UHFFFAOYSA-N -1 3 395.400 0.710 20 0 GCADHM CCOC(=O)C[C@@H](C)[S@](=O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736592250 599156124 /nfs/dbraw/zinc/15/61/24/599156124.db2.gz BFOZEUHXZVLGNW-RPHGYIDUSA-N -1 3 379.442 0.573 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000737753149 599156977 /nfs/dbraw/zinc/15/69/77/599156977.db2.gz MTFBGNFCTZATOB-HJWRWDBZSA-N -1 3 392.375 0.701 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000737753149 599156980 /nfs/dbraw/zinc/15/69/80/599156980.db2.gz MTFBGNFCTZATOB-HJWRWDBZSA-N -1 3 392.375 0.701 20 0 GCADHM NC(=O)CNC(=O)c1ccc(OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737753145 599157211 /nfs/dbraw/zinc/15/72/11/599157211.db2.gz MQXTTXQCCGLIEN-UHFFFAOYSA-N -1 3 394.391 0.620 20 0 GCADHM NC(=O)CNC(=O)c1ccc(OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737753145 599157214 /nfs/dbraw/zinc/15/72/14/599157214.db2.gz MQXTTXQCCGLIEN-UHFFFAOYSA-N -1 3 394.391 0.620 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000736818851 599176829 /nfs/dbraw/zinc/17/68/29/599176829.db2.gz YKIPDFZDEJOIEU-UHFFFAOYSA-N -1 3 398.448 0.973 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000736818851 599176830 /nfs/dbraw/zinc/17/68/30/599176830.db2.gz YKIPDFZDEJOIEU-UHFFFAOYSA-N -1 3 398.448 0.973 20 0 GCADHM NS(=O)(=O)Cc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822895347 599181849 /nfs/dbraw/zinc/18/18/49/599181849.db2.gz PCCLTQGFIQAZTG-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM NS(=O)(=O)Cc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822895347 599181851 /nfs/dbraw/zinc/18/18/51/599181851.db2.gz PCCLTQGFIQAZTG-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM Cn1cc([C@@H]2CCN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC000737604646 599183513 /nfs/dbraw/zinc/18/35/13/599183513.db2.gz INOAVOBNKQFFPL-CYBMUJFWSA-N -1 3 382.432 0.606 20 0 GCADHM Cn1cc([C@@H]2CCN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC000737604646 599183516 /nfs/dbraw/zinc/18/35/16/599183516.db2.gz INOAVOBNKQFFPL-CYBMUJFWSA-N -1 3 382.432 0.606 20 0 GCADHM CC(=O)N1CCC(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735466313 599184475 /nfs/dbraw/zinc/18/44/75/599184475.db2.gz TYIKUOUEIRILHS-UHFFFAOYSA-N -1 3 386.412 0.398 20 0 GCADHM CC(=O)N1CCC(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735466313 599184477 /nfs/dbraw/zinc/18/44/77/599184477.db2.gz TYIKUOUEIRILHS-UHFFFAOYSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCC[C@@H]1O ZINC000823055363 599189631 /nfs/dbraw/zinc/18/96/31/599189631.db2.gz NBXVRWZJLLFGND-KBPBESRZSA-N -1 3 379.442 0.059 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000737288525 599190953 /nfs/dbraw/zinc/19/09/53/599190953.db2.gz LABIALVJGWRXCK-ZDUSSCGKSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000737288525 599190956 /nfs/dbraw/zinc/19/09/56/599190956.db2.gz LABIALVJGWRXCK-ZDUSSCGKSA-N -1 3 380.412 0.863 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000738198562 599190937 /nfs/dbraw/zinc/19/09/37/599190937.db2.gz VRHHDNYODGWYQZ-CYBMUJFWSA-N -1 3 378.396 0.570 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000738198562 599190939 /nfs/dbraw/zinc/19/09/39/599190939.db2.gz VRHHDNYODGWYQZ-CYBMUJFWSA-N -1 3 378.396 0.570 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC(C)(C)CCS(C)(=O)=O ZINC000820541587 599199647 /nfs/dbraw/zinc/19/96/47/599199647.db2.gz GWBOTIINCPFLGE-NSHDSACASA-N -1 3 381.458 0.964 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC(C)(C)CCS(C)(=O)=O ZINC000820541587 599199649 /nfs/dbraw/zinc/19/96/49/599199649.db2.gz GWBOTIINCPFLGE-NSHDSACASA-N -1 3 381.458 0.964 20 0 GCADHM Cc1nc(NC(=O)c2ccnc(N(C)C)c2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737483313 599199794 /nfs/dbraw/zinc/19/97/94/599199794.db2.gz UOYPGTSZGWGXJC-UHFFFAOYSA-N -1 3 390.411 0.891 20 0 GCADHM CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)cn2)ncn1 ZINC000821637472 599201939 /nfs/dbraw/zinc/20/19/39/599201939.db2.gz HGIQYLMZFSEMCB-GFCCVEGCSA-N -1 3 380.416 0.492 20 0 GCADHM CNc1cc(N2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)cn2)ncn1 ZINC000821637472 599201942 /nfs/dbraw/zinc/20/19/42/599201942.db2.gz HGIQYLMZFSEMCB-GFCCVEGCSA-N -1 3 380.416 0.492 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737165469 599204155 /nfs/dbraw/zinc/20/41/55/599204155.db2.gz KQPOOVPBKBNNNM-ZDUSSCGKSA-N -1 3 396.498 0.250 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737165469 599204158 /nfs/dbraw/zinc/20/41/58/599204158.db2.gz KQPOOVPBKBNNNM-ZDUSSCGKSA-N -1 3 396.498 0.250 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658756 599208100 /nfs/dbraw/zinc/20/81/00/599208100.db2.gz UROQIMJJIZCDAY-IAQYHMDHSA-N -1 3 395.427 0.322 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657685 599208422 /nfs/dbraw/zinc/20/84/22/599208422.db2.gz MFHQRSNVCMOGGM-IAQYHMDHSA-N -1 3 380.412 0.453 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657685 599208425 /nfs/dbraw/zinc/20/84/25/599208425.db2.gz MFHQRSNVCMOGGM-IAQYHMDHSA-N -1 3 380.412 0.453 20 0 GCADHM C[S@](=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000737171487 599211151 /nfs/dbraw/zinc/21/11/51/599211151.db2.gz BLHHDUBIIVCADM-QHCPKHFHSA-N -1 3 383.377 0.542 20 0 GCADHM C[S@](=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737171487 599211152 /nfs/dbraw/zinc/21/11/52/599211152.db2.gz BLHHDUBIIVCADM-QHCPKHFHSA-N -1 3 383.377 0.542 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)COc2ccccc2-c2nnn[n-]2)C(=O)N1c1cnn(C)c1 ZINC000820656403 599211395 /nfs/dbraw/zinc/21/13/95/599211395.db2.gz FDNNSHHKUWPBFH-SMDDNHRTSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)COc2ccccc2-c2nn[n-]n2)C(=O)N1c1cnn(C)c1 ZINC000820656403 599211397 /nfs/dbraw/zinc/21/13/97/599211397.db2.gz FDNNSHHKUWPBFH-SMDDNHRTSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657451 599211401 /nfs/dbraw/zinc/21/14/01/599211401.db2.gz LFDOHLWBGYSTHT-WBMJQRKESA-N -1 3 394.439 0.843 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657451 599211402 /nfs/dbraw/zinc/21/14/02/599211402.db2.gz LFDOHLWBGYSTHT-WBMJQRKESA-N -1 3 394.439 0.843 20 0 GCADHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737879747 599214748 /nfs/dbraw/zinc/21/47/48/599214748.db2.gz YGBAKXYJJQFLKG-GJZGRUSLSA-N -1 3 398.423 0.537 20 0 GCADHM Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2=O)n(C)n1 ZINC000822207358 599215973 /nfs/dbraw/zinc/21/59/73/599215973.db2.gz SZCBHLYPWVJEIJ-CYBMUJFWSA-N -1 3 381.400 0.229 20 0 GCADHM Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2=O)n(C)n1 ZINC000822207358 599215976 /nfs/dbraw/zinc/21/59/76/599215976.db2.gz SZCBHLYPWVJEIJ-CYBMUJFWSA-N -1 3 381.400 0.229 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737164876 599216622 /nfs/dbraw/zinc/21/66/22/599216622.db2.gz CPXAJDYZHZGPSW-VIFPVBQESA-N -1 3 385.837 0.676 20 0 GCADHM CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737164876 599216625 /nfs/dbraw/zinc/21/66/25/599216625.db2.gz CPXAJDYZHZGPSW-VIFPVBQESA-N -1 3 385.837 0.676 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NCCC(F)(F)F ZINC000823055395 599216600 /nfs/dbraw/zinc/21/66/00/599216600.db2.gz OFLURPICFCDSEH-UHFFFAOYSA-N -1 3 377.348 0.850 20 0 GCADHM O=C(Cn1nnc(-c2ccccc2)n1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737984471 599217970 /nfs/dbraw/zinc/21/79/70/599217970.db2.gz DWKRBHIASDJRMD-UHFFFAOYSA-N -1 3 391.395 0.715 20 0 GCADHM CNC(=O)Cn1cnc(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)n1 ZINC000736878878 599229716 /nfs/dbraw/zinc/22/97/16/599229716.db2.gz JUFSZESYOWGSML-AWEZNQCLSA-N -1 3 399.415 0.246 20 0 GCADHM CNC(=O)Cn1cnc(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)n1 ZINC000736878878 599229717 /nfs/dbraw/zinc/22/97/17/599229717.db2.gz JUFSZESYOWGSML-AWEZNQCLSA-N -1 3 399.415 0.246 20 0 GCADHM C[C@H](C(=O)N(CCN(C)C)CC(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000532866681 596931753 /nfs/dbraw/zinc/93/17/53/596931753.db2.gz ZUBYUZLAIDSVMM-ZDUSSCGKSA-N -1 3 385.486 0.515 20 0 GCADHM CCN1CCN([C@@H](C)CNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000739452935 597013953 /nfs/dbraw/zinc/01/39/53/597013953.db2.gz BSNBPKPYXVYLKI-MAUKXSAKSA-N -1 3 387.484 0.848 20 0 GCADHM Cc1sc(NC(=O)CN2C[C@@H]3[C@H](C2)OCCN3C)c(-c2nnn[n-]2)c1C ZINC000822558592 607265675 /nfs/dbraw/zinc/26/56/75/607265675.db2.gz RWWXNXUUWDJIFO-NEPJUHHUSA-N -1 3 377.474 0.498 20 0 GCADHM Cc1sc(NC(=O)CN2C[C@@H]3[C@H](C2)OCCN3C)c(-c2nn[n-]n2)c1C ZINC000822558592 607265676 /nfs/dbraw/zinc/26/56/76/607265676.db2.gz RWWXNXUUWDJIFO-NEPJUHHUSA-N -1 3 377.474 0.498 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1CCOC ZINC000736405619 599237105 /nfs/dbraw/zinc/23/71/05/599237105.db2.gz HAUXYXKTRRMEEF-AWEZNQCLSA-N -1 3 380.474 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1CCOC ZINC000736405619 599237106 /nfs/dbraw/zinc/23/71/06/599237106.db2.gz HAUXYXKTRRMEEF-AWEZNQCLSA-N -1 3 380.474 0.598 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC000736624064 599237223 /nfs/dbraw/zinc/23/72/23/599237223.db2.gz QYULNBIQXVOVQK-ZDUSSCGKSA-N -1 3 380.474 0.598 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000736624064 599237225 /nfs/dbraw/zinc/23/72/25/599237225.db2.gz QYULNBIQXVOVQK-ZDUSSCGKSA-N -1 3 380.474 0.598 20 0 GCADHM CNC(=O)c1cccc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000736876723 599238520 /nfs/dbraw/zinc/23/85/20/599238520.db2.gz DAXGRPOYAHJJFN-UHFFFAOYSA-N -1 3 392.423 0.584 20 0 GCADHM CNC(=O)c1cccc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000736876723 599238522 /nfs/dbraw/zinc/23/85/22/599238522.db2.gz DAXGRPOYAHJJFN-UHFFFAOYSA-N -1 3 392.423 0.584 20 0 GCADHM Cc1cc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)ccc1-n1cncn1 ZINC000737236158 599238978 /nfs/dbraw/zinc/23/89/78/599238978.db2.gz FEECGJDVTBQOKL-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM Cc1cc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)ccc1-n1cncn1 ZINC000737236158 599238980 /nfs/dbraw/zinc/23/89/80/599238980.db2.gz FEECGJDVTBQOKL-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM Cc1nc(CN2CCC[C@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)cn3)C2)no1 ZINC000737478943 599242091 /nfs/dbraw/zinc/24/20/91/599242091.db2.gz WZOCENCGWYIVKV-ZDUSSCGKSA-N -1 3 383.416 0.690 20 0 GCADHM Cc1nc(CN2CCC[C@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)cn3)C2)no1 ZINC000737478943 599242093 /nfs/dbraw/zinc/24/20/93/599242093.db2.gz WZOCENCGWYIVKV-ZDUSSCGKSA-N -1 3 383.416 0.690 20 0 GCADHM CC(C)(C)NS(=O)(=O)CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735623663 599242882 /nfs/dbraw/zinc/24/28/82/599242882.db2.gz OJOWOTNSWVWTJI-UHFFFAOYSA-N -1 3 382.446 0.080 20 0 GCADHM COC(=O)c1csc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821671421 607272149 /nfs/dbraw/zinc/27/21/49/607272149.db2.gz VIUDMSZPARCLRL-UHFFFAOYSA-N -1 3 386.393 0.970 20 0 GCADHM COC(=O)c1csc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821671421 607272150 /nfs/dbraw/zinc/27/21/50/607272150.db2.gz VIUDMSZPARCLRL-UHFFFAOYSA-N -1 3 386.393 0.970 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H]2Cn2cncn2)cccc1-c1nnn[n-]1 ZINC000822043397 607275853 /nfs/dbraw/zinc/27/58/53/607275853.db2.gz DCJRERMLAJGAGN-LBPRGKRZSA-N -1 3 381.400 0.396 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H]2Cn2cncn2)cccc1-c1nn[n-]n1 ZINC000822043397 607275854 /nfs/dbraw/zinc/27/58/54/607275854.db2.gz DCJRERMLAJGAGN-LBPRGKRZSA-N -1 3 381.400 0.396 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)CC2 ZINC000821654053 607275916 /nfs/dbraw/zinc/27/59/16/607275916.db2.gz SEXHDJNOHLGDEU-ZDUSSCGKSA-N -1 3 398.423 0.915 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)CC2 ZINC000821654053 607275917 /nfs/dbraw/zinc/27/59/17/607275917.db2.gz SEXHDJNOHLGDEU-ZDUSSCGKSA-N -1 3 398.423 0.915 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821441364 607275984 /nfs/dbraw/zinc/27/59/84/607275984.db2.gz KUSCJIXMPHNUQK-VIFPVBQESA-N -1 3 380.430 0.053 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821441364 607275985 /nfs/dbraw/zinc/27/59/85/607275985.db2.gz KUSCJIXMPHNUQK-VIFPVBQESA-N -1 3 380.430 0.053 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000736183127 599244611 /nfs/dbraw/zinc/24/46/11/599244611.db2.gz RKMIQZGGAOJJMN-CABCVRRESA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCN1CCOC ZINC000736411258 599244705 /nfs/dbraw/zinc/24/47/05/599244705.db2.gz PZKSPQCGIJBKBB-OAHLLOKOSA-N -1 3 387.444 0.374 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)cccc1-c1nnn[n-]1 ZINC000822046140 607276299 /nfs/dbraw/zinc/27/62/99/607276299.db2.gz YWPSAVZSDASHJT-CYBMUJFWSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)cccc1-c1nn[n-]n1 ZINC000822046140 607276300 /nfs/dbraw/zinc/27/63/00/607276300.db2.gz YWPSAVZSDASHJT-CYBMUJFWSA-N -1 3 397.439 0.727 20 0 GCADHM CCOCCN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@H]1C ZINC000736617745 599244815 /nfs/dbraw/zinc/24/48/15/599244815.db2.gz GTUWSAFCCWXLKY-CYBMUJFWSA-N -1 3 387.444 0.374 20 0 GCADHM C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820656758 599245149 /nfs/dbraw/zinc/24/51/49/599245149.db2.gz HCGBUWXVARZYCO-HZMBPMFUSA-N -1 3 381.400 0.916 20 0 GCADHM C[C@H]1C[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820656758 599245152 /nfs/dbraw/zinc/24/51/52/599245152.db2.gz HCGBUWXVARZYCO-HZMBPMFUSA-N -1 3 381.400 0.916 20 0 GCADHM COC(=O)C1(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCCC1 ZINC000821654025 607278127 /nfs/dbraw/zinc/27/81/27/607278127.db2.gz RNUVNCGJFDMOBN-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM COC(=O)C1(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCCC1 ZINC000821654025 607278128 /nfs/dbraw/zinc/27/81/28/607278128.db2.gz RNUVNCGJFDMOBN-UHFFFAOYSA-N -1 3 386.412 0.963 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cccc1-c1nnn[n-]1 ZINC000822043136 607278197 /nfs/dbraw/zinc/27/81/97/607278197.db2.gz BJGHGPVXKQDTAK-ZDUSSCGKSA-N -1 3 394.439 0.938 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)cccc1-c1nn[n-]n1 ZINC000822043136 607278198 /nfs/dbraw/zinc/27/81/98/607278198.db2.gz BJGHGPVXKQDTAK-ZDUSSCGKSA-N -1 3 394.439 0.938 20 0 GCADHM O=C(CNC(=O)Cc1cccc(F)c1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737888485 599245934 /nfs/dbraw/zinc/24/59/34/599245934.db2.gz FQWFRSMCUNALMM-UHFFFAOYSA-N -1 3 398.398 0.860 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)cccc1-c1nnn[n-]1 ZINC000822044166 607278389 /nfs/dbraw/zinc/27/83/89/607278389.db2.gz IFULRBOIRFMEAA-ZDUSSCGKSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H](Cn3cccn3)C2)cccc1-c1nn[n-]n1 ZINC000822044166 607278390 /nfs/dbraw/zinc/27/83/90/607278390.db2.gz IFULRBOIRFMEAA-ZDUSSCGKSA-N -1 3 396.411 0.238 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cncn2)nc1 ZINC000738088780 599246158 /nfs/dbraw/zinc/24/61/58/599246158.db2.gz KNEFSKWTZCPJNN-UHFFFAOYSA-N -1 3 377.368 0.651 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)Nc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822205922 599246456 /nfs/dbraw/zinc/24/64/56/599246456.db2.gz NKNAKCVEMKFULJ-ZDUSSCGKSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822205922 599246458 /nfs/dbraw/zinc/24/64/58/599246458.db2.gz NKNAKCVEMKFULJ-ZDUSSCGKSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(=O)NCc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822053329 607273294 /nfs/dbraw/zinc/27/32/94/607273294.db2.gz MIQSBTKRRGOBNU-UHFFFAOYSA-N -1 3 393.407 0.546 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC(=O)NCc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822053329 607273295 /nfs/dbraw/zinc/27/32/95/607273295.db2.gz MIQSBTKRRGOBNU-UHFFFAOYSA-N -1 3 393.407 0.546 20 0 GCADHM COCCN(CC(=O)Nc1ccncc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000736990332 599248907 /nfs/dbraw/zinc/24/89/07/599248907.db2.gz NPPYPRBZEAUHBV-UHFFFAOYSA-N -1 3 377.405 0.506 20 0 GCADHM COCCN(CC(=O)Nc1ccncc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000736990332 599248909 /nfs/dbraw/zinc/24/89/09/599248909.db2.gz NPPYPRBZEAUHBV-UHFFFAOYSA-N -1 3 377.405 0.506 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1)C(=O)[O-] ZINC000578748987 597222437 /nfs/dbraw/zinc/22/24/37/597222437.db2.gz LCYFZTANAPQOKE-MRXNPFEDSA-N -1 3 376.457 0.742 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)C(=O)[O-] ZINC000818269647 597222746 /nfs/dbraw/zinc/22/27/46/597222746.db2.gz CNILJMYHARNCLH-LLVKDONJSA-N -1 3 378.385 0.074 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cccc1-c1nnn[n-]1 ZINC000822052156 607278704 /nfs/dbraw/zinc/27/87/04/607278704.db2.gz AAAUZTOWHRWWPK-HOTGVXAUSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@@H]2O)cccc1-c1nn[n-]n1 ZINC000822052156 607278705 /nfs/dbraw/zinc/27/87/05/607278705.db2.gz AAAUZTOWHRWWPK-HOTGVXAUSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cccc1-c1nnn[n-]1 ZINC000822043176 607278923 /nfs/dbraw/zinc/27/89/23/607278923.db2.gz BRWVYVWSAWDONF-GJZGRUSLSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)cccc1-c1nn[n-]n1 ZINC000822043176 607278924 /nfs/dbraw/zinc/27/89/24/607278924.db2.gz BRWVYVWSAWDONF-GJZGRUSLSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822045726 607279105 /nfs/dbraw/zinc/27/91/05/607279105.db2.gz SFLJNWNWFCNGQC-AWEZNQCLSA-N -1 3 384.318 0.639 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822045726 607279106 /nfs/dbraw/zinc/27/91/06/607279106.db2.gz SFLJNWNWFCNGQC-AWEZNQCLSA-N -1 3 384.318 0.639 20 0 GCADHM COC(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)cc1 ZINC000736947525 599253180 /nfs/dbraw/zinc/25/31/80/599253180.db2.gz NCHGAFGNVFRNEX-UHFFFAOYSA-N -1 3 388.409 0.913 20 0 GCADHM COC(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)cc1 ZINC000736947525 599253182 /nfs/dbraw/zinc/25/31/82/599253182.db2.gz NCHGAFGNVFRNEX-UHFFFAOYSA-N -1 3 388.409 0.913 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(Cl)s1)Nc1ccncc1-c1nnn[n-]1 ZINC000737928095 599254020 /nfs/dbraw/zinc/25/40/20/599254020.db2.gz DALUAQWVGVTMSP-UHFFFAOYSA-N -1 3 398.857 0.952 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(Cl)s1)Nc1ccncc1-c1nn[n-]n1 ZINC000737928095 599254022 /nfs/dbraw/zinc/25/40/22/599254022.db2.gz DALUAQWVGVTMSP-UHFFFAOYSA-N -1 3 398.857 0.952 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)cn1 ZINC000821691194 607291509 /nfs/dbraw/zinc/29/15/09/607291509.db2.gz MLEFQOXKIRRESF-UHFFFAOYSA-N -1 3 399.415 0.778 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cn1 ZINC000821691194 607291510 /nfs/dbraw/zinc/29/15/10/607291510.db2.gz MLEFQOXKIRRESF-UHFFFAOYSA-N -1 3 399.415 0.778 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736182479 599258675 /nfs/dbraw/zinc/25/86/75/599258675.db2.gz GDCXCMPNQHCTBB-BXUZGUMPSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736182479 599258678 /nfs/dbraw/zinc/25/86/78/599258678.db2.gz GDCXCMPNQHCTBB-BXUZGUMPSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736167360 599258829 /nfs/dbraw/zinc/25/88/29/599258829.db2.gz FHXAJNQYEQPUSZ-XHDPSFHLSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736182481 599258946 /nfs/dbraw/zinc/25/89/46/599258946.db2.gz GDCXCMPNQHCTBB-FZMZJTMJSA-N -1 3 396.411 0.289 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736182481 599258947 /nfs/dbraw/zinc/25/89/47/599258947.db2.gz GDCXCMPNQHCTBB-FZMZJTMJSA-N -1 3 396.411 0.289 20 0 GCADHM Cc1nc(S(=O)(=O)NCC(=O)Nc2cccc(-c3nn[n-]n3)c2C)cn1C ZINC000822068004 607294977 /nfs/dbraw/zinc/29/49/77/607294977.db2.gz NAXDXSMBZYLGKW-UHFFFAOYSA-N -1 3 390.429 0.134 20 0 GCADHM NC(=O)[C@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000822860605 607298588 /nfs/dbraw/zinc/29/85/88/607298588.db2.gz ZHTCBBWOTQNKBB-LBPRGKRZSA-N -1 3 385.428 0.699 20 0 GCADHM NC(=O)[C@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000822860605 607298589 /nfs/dbraw/zinc/29/85/89/607298589.db2.gz ZHTCBBWOTQNKBB-LBPRGKRZSA-N -1 3 385.428 0.699 20 0 GCADHM C[C@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)c1nncn1C ZINC000820321797 607298609 /nfs/dbraw/zinc/29/86/09/607298609.db2.gz MOSVABYQPUHCLE-NSHDSACASA-N -1 3 383.416 0.981 20 0 GCADHM C[C@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)c1nncn1C ZINC000820321797 607298610 /nfs/dbraw/zinc/29/86/10/607298610.db2.gz MOSVABYQPUHCLE-NSHDSACASA-N -1 3 383.416 0.981 20 0 GCADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000823498179 607298869 /nfs/dbraw/zinc/29/88/69/607298869.db2.gz GCRSPAHIDFONPX-LBPRGKRZSA-N -1 3 377.836 0.852 20 0 GCADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000823498179 607298870 /nfs/dbraw/zinc/29/88/70/607298870.db2.gz GCRSPAHIDFONPX-LBPRGKRZSA-N -1 3 377.836 0.852 20 0 GCADHM O=C(CCCC(=O)N1CCN(CCO)CC1)Nc1ccccc1-c1nnn[n-]1 ZINC000822955177 607299250 /nfs/dbraw/zinc/29/92/50/607299250.db2.gz KYEGGAPTKSVEBQ-UHFFFAOYSA-N -1 3 387.444 0.112 20 0 GCADHM O=C(CCCC(=O)N1CCN(CCO)CC1)Nc1ccccc1-c1nn[n-]n1 ZINC000822955177 607299251 /nfs/dbraw/zinc/29/92/51/607299251.db2.gz KYEGGAPTKSVEBQ-UHFFFAOYSA-N -1 3 387.444 0.112 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC[C@H](O)CN1CCOCC1 ZINC000822204053 607303097 /nfs/dbraw/zinc/30/30/97/607303097.db2.gz BRBBNEHVJZFCMP-ZDUSSCGKSA-N -1 3 387.419 0.389 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC[C@H](O)CN1CCOCC1 ZINC000822204053 607303098 /nfs/dbraw/zinc/30/30/98/607303098.db2.gz BRBBNEHVJZFCMP-ZDUSSCGKSA-N -1 3 387.419 0.389 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609794 599260790 /nfs/dbraw/zinc/26/07/90/599260790.db2.gz JMSJXTCSXZVONJ-LQYUOIDQSA-N -1 3 378.396 0.535 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609794 599260791 /nfs/dbraw/zinc/26/07/91/599260791.db2.gz JMSJXTCSXZVONJ-LQYUOIDQSA-N -1 3 378.396 0.535 20 0 GCADHM COCCNC(=O)CN1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1 ZINC000737007822 599261212 /nfs/dbraw/zinc/26/12/12/599261212.db2.gz YSCIMEDQGNLXLB-UHFFFAOYSA-N -1 3 396.455 0.300 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000821631417 607300820 /nfs/dbraw/zinc/30/08/20/607300820.db2.gz IPZBTDMWXQJFJS-ZDUSSCGKSA-N -1 3 399.455 0.960 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000821631417 607300821 /nfs/dbraw/zinc/30/08/21/607300821.db2.gz IPZBTDMWXQJFJS-ZDUSSCGKSA-N -1 3 399.455 0.960 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(CC(F)(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000737769499 599263573 /nfs/dbraw/zinc/26/35/73/599263573.db2.gz LWXCQPYNLLDGMN-UHFFFAOYSA-N -1 3 391.379 0.198 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(CC(F)(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000737769499 599263575 /nfs/dbraw/zinc/26/35/75/599263575.db2.gz LWXCQPYNLLDGMN-UHFFFAOYSA-N -1 3 391.379 0.198 20 0 GCADHM O=C1CN(c2ccc(NC[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2)CCN1 ZINC000823535886 607309409 /nfs/dbraw/zinc/30/94/09/607309409.db2.gz LGNVPXDEMVITOJ-LBPRGKRZSA-N -1 3 394.443 0.153 20 0 GCADHM O=C1CN(c2ccc(NC[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2)CCN1 ZINC000823535886 607309410 /nfs/dbraw/zinc/30/94/10/607309410.db2.gz LGNVPXDEMVITOJ-LBPRGKRZSA-N -1 3 394.443 0.153 20 0 GCADHM Cc1ccc(-n2cnnn2)cc1NC[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000822225103 607312802 /nfs/dbraw/zinc/31/28/02/607312802.db2.gz OLHSZYIKTZEUFQ-NSHDSACASA-N -1 3 378.404 0.501 20 0 GCADHM Cc1ccc(-n2cnnn2)cc1NC[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000822225103 607312803 /nfs/dbraw/zinc/31/28/03/607312803.db2.gz OLHSZYIKTZEUFQ-NSHDSACASA-N -1 3 378.404 0.501 20 0 GCADHM CS(=O)(=O)Cc1cccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821932334 607314228 /nfs/dbraw/zinc/31/42/28/607314228.db2.gz KQBWBXFAEJCEDT-LBPRGKRZSA-N -1 3 388.457 0.762 20 0 GCADHM CS(=O)(=O)Cc1cccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821932334 607314229 /nfs/dbraw/zinc/31/42/29/607314229.db2.gz KQBWBXFAEJCEDT-LBPRGKRZSA-N -1 3 388.457 0.762 20 0 GCADHM c1cc(-c2nnn[n-]2)cc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)n1 ZINC000823743097 607304067 /nfs/dbraw/zinc/30/40/67/607304067.db2.gz SRGRCTCLJJZGAW-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM c1cc(-c2nn[n-]n2)cc(N2CCN(c3nccc(N4CCOCC4)n3)CC2)n1 ZINC000823743097 607304068 /nfs/dbraw/zinc/30/40/68/607304068.db2.gz SRGRCTCLJJZGAW-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3c(Cl)cccc3-c3nnn[n-]3)CC2)C1 ZINC000823613451 607304263 /nfs/dbraw/zinc/30/42/63/607304263.db2.gz IVPABVKTTZRBRR-LLVKDONJSA-N -1 3 382.877 0.829 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3c(Cl)cccc3-c3nn[n-]n3)CC2)C1 ZINC000823613451 607304264 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598288011 /nfs/dbraw/zinc/28/80/11/598288011.db2.gz AEDXRLODWXNASX-AWEZNQCLSA-N -1 3 396.407 0.574 20 0 GCADHM O=C(NC1CC1)C1(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000738294228 598288013 /nfs/dbraw/zinc/28/80/13/598288013.db2.gz AEDXRLODWXNASX-AWEZNQCLSA-N -1 3 396.407 0.574 20 0 GCADHM COC(=O)N(C)CCCC(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736932284 598289090 /nfs/dbraw/zinc/28/90/90/598289090.db2.gz JFWKYLAXUILITO-UHFFFAOYSA-N -1 3 390.400 0.505 20 0 GCADHM COC(=O)N(C)CCCC(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736932284 598289092 /nfs/dbraw/zinc/28/90/92/598289092.db2.gz JFWKYLAXUILITO-UHFFFAOYSA-N -1 3 390.400 0.505 20 0 GCADHM O=C(COC(=O)c1ccc2nncn2c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737910377 598290040 /nfs/dbraw/zinc/29/00/40/598290040.db2.gz CJVSSPBLUNFSIR-UHFFFAOYSA-N -1 3 378.352 0.383 20 0 GCADHM O=C(COC(=O)c1ccc2nncn2c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737910377 598290042 /nfs/dbraw/zinc/29/00/42/598290042.db2.gz CJVSSPBLUNFSIR-UHFFFAOYSA-N -1 3 378.352 0.383 20 0 GCADHM O=C(O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc2nncn2c1 ZINC000738214447 598290052 /nfs/dbraw/zinc/29/00/52/598290052.db2.gz MWKLGNXQHHUOKY-AWEZNQCLSA-N -1 3 390.363 0.872 20 0 GCADHM O=C(O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc2nncn2c1 ZINC000738214447 598290054 /nfs/dbraw/zinc/29/00/54/598290054.db2.gz MWKLGNXQHHUOKY-AWEZNQCLSA-N -1 3 390.363 0.872 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735536434 598290673 /nfs/dbraw/zinc/29/06/73/598290673.db2.gz GHIMZDHOXZNTBQ-HUUCEWRRSA-N -1 3 385.472 0.672 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735536434 598290674 /nfs/dbraw/zinc/29/06/74/598290674.db2.gz GHIMZDHOXZNTBQ-HUUCEWRRSA-N -1 3 385.472 0.672 20 0 GCADHM CC(C)CC(=O)N[C@@H](C(=O)OCCn1ncc(-c2nnn[n-]2)c1N)C(C)C ZINC000735759639 598292647 /nfs/dbraw/zinc/29/26/47/598292647.db2.gz USCJMKXDSCNOCM-CYBMUJFWSA-N -1 3 378.437 0.376 20 0 GCADHM CC(C)CC(=O)N[C@@H](C(=O)OCCn1ncc(-c2nn[n-]n2)c1N)C(C)C ZINC000735759639 598292649 /nfs/dbraw/zinc/29/26/49/598292649.db2.gz USCJMKXDSCNOCM-CYBMUJFWSA-N -1 3 378.437 0.376 20 0 GCADHM CC(=O)N[C@@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)c1cccs1 ZINC000735474013 598292761 /nfs/dbraw/zinc/29/27/61/598292761.db2.gz FBUOBJTYMUHHIK-NSHDSACASA-N -1 3 390.429 0.518 20 0 GCADHM CC(=O)N[C@@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)c1cccs1 ZINC000735474013 598292763 /nfs/dbraw/zinc/29/27/63/598292763.db2.gz FBUOBJTYMUHHIK-NSHDSACASA-N -1 3 390.429 0.518 20 0 GCADHM COc1cn(-c2ccccc2)nc1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737160165 598293322 /nfs/dbraw/zinc/29/33/22/598293322.db2.gz UZKAVIJVRKVIIT-UHFFFAOYSA-N -1 3 395.383 0.697 20 0 GCADHM COc1cn(-c2ccccc2)nc1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737160165 598293323 /nfs/dbraw/zinc/29/33/23/598293323.db2.gz UZKAVIJVRKVIIT-UHFFFAOYSA-N -1 3 395.383 0.697 20 0 GCADHM C[C@@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)NC(=O)C1CCCC1 ZINC000735977348 598294535 /nfs/dbraw/zinc/29/45/35/598294535.db2.gz NVAOJOZODODXNN-JTQLQIEISA-N -1 3 376.421 0.274 20 0 GCADHM C[C@@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)NC(=O)C1CCCC1 ZINC000735977348 598294536 /nfs/dbraw/zinc/29/45/36/598294536.db2.gz NVAOJOZODODXNN-JTQLQIEISA-N -1 3 376.421 0.274 20 0 GCADHM COc1ccc2c(c1)OC[C@@H](C(=O)OCCn1ncc(-c3nnn[n-]3)c1N)C2 ZINC000737119334 598294972 /nfs/dbraw/zinc/29/49/72/598294972.db2.gz ORBAHUJJMIZXOQ-NSHDSACASA-N -1 3 385.384 0.449 20 0 GCADHM COc1ccc2c(c1)OC[C@@H](C(=O)OCCn1ncc(-c3nn[n-]n3)c1N)C2 ZINC000737119334 598294974 /nfs/dbraw/zinc/29/49/74/598294974.db2.gz ORBAHUJJMIZXOQ-NSHDSACASA-N -1 3 385.384 0.449 20 0 GCADHM COC(=O)c1nc2n(n1)CCCN2C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736957094 598295865 /nfs/dbraw/zinc/29/58/65/598295865.db2.gz KHLORYYQXWIPAL-UHFFFAOYSA-N -1 3 384.356 0.061 20 0 GCADHM COC(=O)c1nc2n(n1)CCCN2C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736957094 598295867 /nfs/dbraw/zinc/29/58/67/598295867.db2.gz KHLORYYQXWIPAL-UHFFFAOYSA-N -1 3 384.356 0.061 20 0 GCADHM CCCCNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736457893 598300240 /nfs/dbraw/zinc/30/02/40/598300240.db2.gz ROYYQCGTHAZJPX-LBPRGKRZSA-N -1 3 396.498 0.847 20 0 GCADHM CCCCNC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736457893 598300242 /nfs/dbraw/zinc/30/02/42/598300242.db2.gz ROYYQCGTHAZJPX-LBPRGKRZSA-N -1 3 396.498 0.847 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000738044183 598301075 /nfs/dbraw/zinc/30/10/75/598301075.db2.gz HXJDHOMDEOCZAD-LBPRGKRZSA-N -1 3 394.482 0.457 20 0 GCADHM O=C(NCC1CC1)[C@@H]1CSCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000738044183 598301077 /nfs/dbraw/zinc/30/10/77/598301077.db2.gz HXJDHOMDEOCZAD-LBPRGKRZSA-N -1 3 394.482 0.457 20 0 GCADHM O=C(CCn1nnc2ccccc2c1=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737861048 598303673 /nfs/dbraw/zinc/30/36/73/598303673.db2.gz ALNJMGNIJGUSIQ-UHFFFAOYSA-N -1 3 394.370 0.817 20 0 GCADHM O=C(CCn1nnc2ccccc2c1=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737861048 598303675 /nfs/dbraw/zinc/30/36/75/598303675.db2.gz ALNJMGNIJGUSIQ-UHFFFAOYSA-N -1 3 394.370 0.817 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@@H]1CCS(=O)(=O)C1 ZINC000737031720 598307161 /nfs/dbraw/zinc/30/71/61/598307161.db2.gz CDVJCEFBDJMBNS-GFCCVEGCSA-N -1 3 396.425 0.765 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@@H]1CCS(=O)(=O)C1 ZINC000737031720 598307162 /nfs/dbraw/zinc/30/71/62/598307162.db2.gz CDVJCEFBDJMBNS-GFCCVEGCSA-N -1 3 396.425 0.765 20 0 GCADHM Cc1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccc(=O)[nH]n1 ZINC000737214387 598309361 /nfs/dbraw/zinc/30/93/61/598309361.db2.gz JKHQSBYOMUPOLJ-UHFFFAOYSA-N -1 3 395.358 0.926 20 0 GCADHM Cc1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccc(=O)[nH]n1 ZINC000737214387 598309364 /nfs/dbraw/zinc/30/93/64/598309364.db2.gz JKHQSBYOMUPOLJ-UHFFFAOYSA-N -1 3 395.358 0.926 20 0 GCADHM O=C(NCCCN1CCCS1(=O)=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738066550 598321748 /nfs/dbraw/zinc/32/17/48/598321748.db2.gz QEMGSNQTJWEZBJ-UHFFFAOYSA-N -1 3 397.436 0.231 20 0 GCADHM O=C(NCCCN1CCCS1(=O)=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738066550 598321751 /nfs/dbraw/zinc/32/17/51/598321751.db2.gz QEMGSNQTJWEZBJ-UHFFFAOYSA-N -1 3 397.436 0.231 20 0 GCADHM NC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737758070 598328379 /nfs/dbraw/zinc/32/83/79/598328379.db2.gz DHDBQTCCYYAGQA-SNVBAGLBSA-N -1 3 376.396 0.596 20 0 GCADHM NC(=O)NC[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737758070 598328380 /nfs/dbraw/zinc/32/83/80/598328380.db2.gz DHDBQTCCYYAGQA-SNVBAGLBSA-N -1 3 376.396 0.596 20 0 GCADHM NC(=O)[C@@H]1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737746279 598330973 /nfs/dbraw/zinc/33/09/73/598330973.db2.gz QTKNUKDUZJOEBM-GFCCVEGCSA-N -1 3 382.380 0.986 20 0 GCADHM NC(=O)[C@@H]1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737746279 598330975 /nfs/dbraw/zinc/33/09/75/598330975.db2.gz QTKNUKDUZJOEBM-GFCCVEGCSA-N -1 3 382.380 0.986 20 0 GCADHM CC(C)N1C(=O)CN(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000735874941 598333714 /nfs/dbraw/zinc/33/37/14/598333714.db2.gz IPIBAELYQHCDEO-UHFFFAOYSA-N -1 3 384.444 0.619 20 0 GCADHM CC(C)N1C(=O)CN(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000735874941 598333716 /nfs/dbraw/zinc/33/37/16/598333716.db2.gz IPIBAELYQHCDEO-UHFFFAOYSA-N -1 3 384.444 0.619 20 0 GCADHM C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)[C@@H](C)CO1 ZINC000736285177 598334663 /nfs/dbraw/zinc/33/46/63/598334663.db2.gz IXFQNRJODYXBQU-STQMWFEESA-N -1 3 385.428 0.698 20 0 GCADHM C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)[C@@H](C)CO1 ZINC000736285177 598334665 /nfs/dbraw/zinc/33/46/65/598334665.db2.gz IXFQNRJODYXBQU-STQMWFEESA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)[C@@H](C)CO1 ZINC000736284629 598334692 /nfs/dbraw/zinc/33/46/92/598334692.db2.gz BXUUTTRJHPGQDQ-QWHCGFSZSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)[C@@H](C)CO1 ZINC000736284629 598334696 /nfs/dbraw/zinc/33/46/96/598334696.db2.gz BXUUTTRJHPGQDQ-QWHCGFSZSA-N -1 3 385.428 0.698 20 0 GCADHM COC(=O)[C@@H]1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736911572 598334977 /nfs/dbraw/zinc/33/49/77/598334977.db2.gz GGAIOHKHHLNQSX-CQSZACIVSA-N -1 3 399.411 0.083 20 0 GCADHM COC(=O)[C@H]1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736911570 598335350 /nfs/dbraw/zinc/33/53/50/598335350.db2.gz GGAIOHKHHLNQSX-AWEZNQCLSA-N -1 3 399.411 0.083 20 0 GCADHM Cc1ccncc1COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822379931 607351102 /nfs/dbraw/zinc/35/11/02/607351102.db2.gz WCOIVPPTARVPBF-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM Cc1ccncc1COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822379931 607351104 /nfs/dbraw/zinc/35/11/04/607351104.db2.gz WCOIVPPTARVPBF-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCCN(c2cccnn2)CC1 ZINC000737921208 598342323 /nfs/dbraw/zinc/34/23/23/598342323.db2.gz VGQGBEQPYMRCAQ-UHFFFAOYSA-N -1 3 380.412 0.774 20 0 GCADHM O=C(CN1CCCN(c2cccnn2)CC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737871929 598342555 /nfs/dbraw/zinc/34/25/55/598342555.db2.gz DTJFGLZYJTZCHA-UHFFFAOYSA-N -1 3 379.428 0.808 20 0 GCADHM COc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737040837 598343983 /nfs/dbraw/zinc/34/39/83/598343983.db2.gz QOCWKOVXJDDVAZ-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM COc1cc(C)nc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737040837 598343985 /nfs/dbraw/zinc/34/39/85/598343985.db2.gz QOCWKOVXJDDVAZ-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM CN1CCN(C(=O)c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)CC1 ZINC000736857866 598344516 /nfs/dbraw/zinc/34/45/16/598344516.db2.gz UPEIULRIDYSKTH-UHFFFAOYSA-N -1 3 379.428 0.656 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736290072 598344559 /nfs/dbraw/zinc/34/45/59/598344559.db2.gz ZQFSOMPFNIIFTL-CHWSQXEVSA-N -1 3 391.501 0.405 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736290072 598344561 /nfs/dbraw/zinc/34/45/61/598344561.db2.gz ZQFSOMPFNIIFTL-CHWSQXEVSA-N -1 3 391.501 0.405 20 0 GCADHM c1nnc2ccc(N3CCN(CCOc4ccccc4-c4nnn[n-]4)CC3)nn12 ZINC000738425917 598344776 /nfs/dbraw/zinc/34/47/76/598344776.db2.gz PQQIGEDKMSYVBI-UHFFFAOYSA-N -1 3 392.427 0.505 20 0 GCADHM c1nnc2ccc(N3CCN(CCOc4ccccc4-c4nn[n-]n4)CC3)nn12 ZINC000738425917 598344778 /nfs/dbraw/zinc/34/47/78/598344778.db2.gz PQQIGEDKMSYVBI-UHFFFAOYSA-N -1 3 392.427 0.505 20 0 GCADHM CCOCCN1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C[C@H]1C ZINC000736618727 598345064 /nfs/dbraw/zinc/34/50/64/598345064.db2.gz MAMWWBTZMFQIRS-GFCCVEGCSA-N -1 3 379.490 0.909 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000737547236 598347944 /nfs/dbraw/zinc/34/79/44/598347944.db2.gz IZMHJHBCQONWRY-GFCCVEGCSA-N -1 3 385.428 0.697 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nn[n-]n2)c1C(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000737547236 598347946 /nfs/dbraw/zinc/34/79/46/598347946.db2.gz IZMHJHBCQONWRY-GFCCVEGCSA-N -1 3 385.428 0.697 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cncn2)C1 ZINC000735563248 598352370 /nfs/dbraw/zinc/35/23/70/598352370.db2.gz SBEOIQUNIMNIPH-DOMZBBRYSA-N -1 3 383.416 0.186 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cncn2)C1 ZINC000735563248 598352372 /nfs/dbraw/zinc/35/23/72/598352372.db2.gz SBEOIQUNIMNIPH-DOMZBBRYSA-N -1 3 383.416 0.186 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCO[C@H](Cn2cncn2)C1 ZINC000735563351 598352742 /nfs/dbraw/zinc/35/27/42/598352742.db2.gz TYDIVUKFEZJEFS-OLZOCXBDSA-N -1 3 383.416 0.186 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCO[C@H](Cn2cncn2)C1 ZINC000735563351 598352744 /nfs/dbraw/zinc/35/27/44/598352744.db2.gz TYDIVUKFEZJEFS-OLZOCXBDSA-N -1 3 383.416 0.186 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(CCOc3cccc(-c4nnn[n-]4)c3)CCO2)n1 ZINC000737474731 598353098 /nfs/dbraw/zinc/35/30/98/598353098.db2.gz RRGJDNQPPBOYPN-KRWDZBQOSA-N -1 3 384.444 0.855 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(CCOc3cccc(-c4nn[n-]n4)c3)CCO2)n1 ZINC000737474731 598353099 /nfs/dbraw/zinc/35/30/99/598353099.db2.gz RRGJDNQPPBOYPN-KRWDZBQOSA-N -1 3 384.444 0.855 20 0 GCADHM O=C(CCNc1ncccc1-c1nnn[n-]1)N1CCN(c2ncccn2)CC1 ZINC000737846487 598353592 /nfs/dbraw/zinc/35/35/92/598353592.db2.gz BGNOHFXTUPYCNH-UHFFFAOYSA-N -1 3 380.416 0.203 20 0 GCADHM O=C(CCNc1ncccc1-c1nn[n-]n1)N1CCN(c2ncccn2)CC1 ZINC000737846487 598353593 /nfs/dbraw/zinc/35/35/93/598353593.db2.gz BGNOHFXTUPYCNH-UHFFFAOYSA-N -1 3 380.416 0.203 20 0 GCADHM O=C(CCN1CCO[C@@H](Cn2cncn2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737843583 598354263 /nfs/dbraw/zinc/35/42/63/598354263.db2.gz KUHWBMNUCARZIF-LLVKDONJSA-N -1 3 389.445 0.249 20 0 GCADHM O=C(CCN1CCO[C@@H](Cn2cncn2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737843583 598354265 /nfs/dbraw/zinc/35/42/65/598354265.db2.gz KUHWBMNUCARZIF-LLVKDONJSA-N -1 3 389.445 0.249 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000821406812 607353665 /nfs/dbraw/zinc/35/36/65/607353665.db2.gz KUAZQEPDIQTDSR-OAHLLOKOSA-N -1 3 380.430 0.964 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000821406812 607353667 /nfs/dbraw/zinc/35/36/67/607353667.db2.gz KUAZQEPDIQTDSR-OAHLLOKOSA-N -1 3 380.430 0.964 20 0 GCADHM Cc1nc(SCC(=O)NCC(=O)NC2CC2)c(-c2nnn[n-]2)c(C)c1C ZINC000737482692 598359606 /nfs/dbraw/zinc/35/96/06/598359606.db2.gz KUZKROGNSCMSKU-UHFFFAOYSA-N -1 3 375.458 0.674 20 0 GCADHM Cc1nc(SCC(=O)NCC(=O)NC2CC2)c(-c2nn[n-]n2)c(C)c1C ZINC000737482692 598359609 /nfs/dbraw/zinc/35/96/09/598359609.db2.gz KUZKROGNSCMSKU-UHFFFAOYSA-N -1 3 375.458 0.674 20 0 GCADHM CC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735458272 598361493 /nfs/dbraw/zinc/36/14/93/598361493.db2.gz JVGOBPCCKNCIBO-UHFFFAOYSA-N -1 3 393.425 0.400 20 0 GCADHM CC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735458272 598361494 /nfs/dbraw/zinc/36/14/94/598361494.db2.gz JVGOBPCCKNCIBO-UHFFFAOYSA-N -1 3 393.425 0.400 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000736167282 598361532 /nfs/dbraw/zinc/36/15/32/598361532.db2.gz DYQSAUMXHURHRG-CQSZACIVSA-N -1 3 396.455 0.712 20 0 GCADHM CNC(=O)C1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCC1 ZINC000736869499 598362123 /nfs/dbraw/zinc/36/21/23/598362123.db2.gz CYCVSZPBDRATQX-UHFFFAOYSA-N -1 3 384.444 0.263 20 0 GCADHM CNC(=O)C1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCC1 ZINC000736869499 598362124 /nfs/dbraw/zinc/36/21/24/598362124.db2.gz CYCVSZPBDRATQX-UHFFFAOYSA-N -1 3 384.444 0.263 20 0 GCADHM Cc1noc([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000737533900 598363313 /nfs/dbraw/zinc/36/33/13/598363313.db2.gz HVRBGMTYXJUFGJ-GFCCVEGCSA-N -1 3 382.384 0.903 20 0 GCADHM Cc1noc([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000737533900 598363315 /nfs/dbraw/zinc/36/33/15/598363315.db2.gz HVRBGMTYXJUFGJ-GFCCVEGCSA-N -1 3 382.384 0.903 20 0 GCADHM CCn1ccnc1CN1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736723660 598364255 /nfs/dbraw/zinc/36/42/55/598364255.db2.gz WZJHDWNQTMTHCC-UHFFFAOYSA-N -1 3 395.471 0.839 20 0 GCADHM CCn1ccnc1CN1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736723660 598364257 /nfs/dbraw/zinc/36/42/57/598364257.db2.gz WZJHDWNQTMTHCC-UHFFFAOYSA-N -1 3 395.471 0.839 20 0 GCADHM CCOCCN1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736617754 598366686 /nfs/dbraw/zinc/36/66/86/598366686.db2.gz GWWARPDAZNXTLK-QGZVFWFLSA-N -1 3 385.472 0.626 20 0 GCADHM Cc1cnn(C[C@@H]2CN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737441777 598367714 /nfs/dbraw/zinc/36/77/14/598367714.db2.gz BHZXYLSMVPNDKO-KRWDZBQOSA-N -1 3 396.455 0.389 20 0 GCADHM Cc1cnn(C[C@@H]2CN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737441777 598367716 /nfs/dbraw/zinc/36/77/16/598367716.db2.gz BHZXYLSMVPNDKO-KRWDZBQOSA-N -1 3 396.455 0.389 20 0 GCADHM O=C1[C@H](N2CCC[C@@H](n3cncn3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738291090 598368809 /nfs/dbraw/zinc/36/88/09/598368809.db2.gz SBFOGNYFPMPNOG-HZPDHXFCSA-N -1 3 379.428 0.901 20 0 GCADHM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736987472 598369769 /nfs/dbraw/zinc/36/97/69/598369769.db2.gz CWLSKHFQFRLSSS-MRVPVSSYSA-N -1 3 388.837 0.031 20 0 GCADHM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736987472 598369770 /nfs/dbraw/zinc/36/97/70/598369770.db2.gz CWLSKHFQFRLSSS-MRVPVSSYSA-N -1 3 388.837 0.031 20 0 GCADHM CC1CCC(NS(=O)(=O)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000600195813 598374964 /nfs/dbraw/zinc/37/49/64/598374964.db2.gz FMQKILBDWGZTGA-UHFFFAOYSA-N -1 3 392.485 0.981 20 0 GCADHM CC1CCC(NS(=O)(=O)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000600195813 598374966 /nfs/dbraw/zinc/37/49/66/598374966.db2.gz FMQKILBDWGZTGA-UHFFFAOYSA-N -1 3 392.485 0.981 20 0 GCADHM O=C(CN1CCn2c(nnc2C2CC2)C1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737885073 598375886 /nfs/dbraw/zinc/37/58/86/598375886.db2.gz RURHTHAEQVEKCQ-UHFFFAOYSA-N -1 3 379.428 0.468 20 0 GCADHM O=C(CN1CCn2c(nnc2C2CC2)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737885073 598375887 /nfs/dbraw/zinc/37/58/87/598375887.db2.gz RURHTHAEQVEKCQ-UHFFFAOYSA-N -1 3 379.428 0.468 20 0 GCADHM Nc1nc(SC[C@@H](O)CO)c(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1 ZINC000737776049 598376164 /nfs/dbraw/zinc/37/61/64/598376164.db2.gz HASLGTIZEDMHEK-JTQLQIEISA-N -1 3 387.425 0.542 20 0 GCADHM Nc1nc(SC[C@@H](O)CO)c(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1 ZINC000737776049 598376166 /nfs/dbraw/zinc/37/61/66/598376166.db2.gz HASLGTIZEDMHEK-JTQLQIEISA-N -1 3 387.425 0.542 20 0 GCADHM COc1ccc(N2C[C@H](C(=O)Nc3ccncc3-c3nnn[n-]3)CC2=O)cc1 ZINC000737100234 598380759 /nfs/dbraw/zinc/38/07/59/598380759.db2.gz SZINEXDXUKPTKU-LLVKDONJSA-N -1 3 379.380 0.684 20 0 GCADHM COc1ccc(N2C[C@H](C(=O)Nc3ccncc3-c3nn[n-]n3)CC2=O)cc1 ZINC000737100234 598380760 /nfs/dbraw/zinc/38/07/60/598380760.db2.gz SZINEXDXUKPTKU-LLVKDONJSA-N -1 3 379.380 0.684 20 0 GCADHM COc1ccc(OC)c(CN2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737108755 598385628 /nfs/dbraw/zinc/38/56/28/598385628.db2.gz BMQMAIASBYARKD-UHFFFAOYSA-N -1 3 382.428 0.996 20 0 GCADHM O=C(C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)c1ccc(F)cc1 ZINC000737782808 598390255 /nfs/dbraw/zinc/39/02/55/598390255.db2.gz OKWJSIPIZQMBKV-UHFFFAOYSA-N -1 3 381.371 0.932 20 0 GCADHM O=C(C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)c1ccc(F)cc1 ZINC000737782808 598390257 /nfs/dbraw/zinc/39/02/57/598390257.db2.gz OKWJSIPIZQMBKV-UHFFFAOYSA-N -1 3 381.371 0.932 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736394734 598398163 /nfs/dbraw/zinc/39/81/63/598398163.db2.gz FEGOHVOWFKUKOG-ZDUSSCGKSA-N -1 3 388.428 0.771 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736394734 598398165 /nfs/dbraw/zinc/39/81/65/598398165.db2.gz FEGOHVOWFKUKOG-ZDUSSCGKSA-N -1 3 388.428 0.771 20 0 GCADHM COc1ccccc1OCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737152993 598398398 /nfs/dbraw/zinc/39/83/98/598398398.db2.gz WCOWJJOKVJYBRX-UHFFFAOYSA-N -1 3 396.407 0.800 20 0 GCADHM COc1ccccc1OCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737152993 598398400 /nfs/dbraw/zinc/39/84/00/598398400.db2.gz WCOWJJOKVJYBRX-UHFFFAOYSA-N -1 3 396.407 0.800 20 0 GCADHM CN(CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736800669 598399917 /nfs/dbraw/zinc/39/99/17/598399917.db2.gz MEZFJYHUPMDDTA-UHFFFAOYSA-N -1 3 379.424 0.849 20 0 GCADHM CN(CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736800669 598399918 /nfs/dbraw/zinc/39/99/18/598399918.db2.gz MEZFJYHUPMDDTA-UHFFFAOYSA-N -1 3 379.424 0.849 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1nnc2n1CCCCC2 ZINC000737889092 598400443 /nfs/dbraw/zinc/40/04/43/598400443.db2.gz JHELLAXZEGONTK-UHFFFAOYSA-N -1 3 395.427 0.231 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1nnc2n1CCCCC2 ZINC000737889092 598400444 /nfs/dbraw/zinc/40/04/44/598400444.db2.gz JHELLAXZEGONTK-UHFFFAOYSA-N -1 3 395.427 0.231 20 0 GCADHM COc1cc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1O ZINC000737045971 598401516 /nfs/dbraw/zinc/40/15/16/598401516.db2.gz WGLZDMTXUVRYBG-UHFFFAOYSA-N -1 3 382.380 0.627 20 0 GCADHM COc1cc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC000737045971 598401517 /nfs/dbraw/zinc/40/15/17/598401517.db2.gz WGLZDMTXUVRYBG-UHFFFAOYSA-N -1 3 382.380 0.627 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736397008 598401756 /nfs/dbraw/zinc/40/17/56/598401756.db2.gz QBFCHPIUJBRSSW-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736397008 598401758 /nfs/dbraw/zinc/40/17/58/598401758.db2.gz QBFCHPIUJBRSSW-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N(CCO)Cc1ccccc1 ZINC000738039998 598401979 /nfs/dbraw/zinc/40/19/79/598401979.db2.gz QTOQCGZGBWOXEE-UHFFFAOYSA-N -1 3 380.408 0.618 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N(CCO)Cc1ccccc1 ZINC000738039998 598401981 /nfs/dbraw/zinc/40/19/81/598401981.db2.gz QTOQCGZGBWOXEE-UHFFFAOYSA-N -1 3 380.408 0.618 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1cn2c(n1)CCCC2 ZINC000737888818 598402287 /nfs/dbraw/zinc/40/22/87/598402287.db2.gz GKXJPACHPLUWCT-UHFFFAOYSA-N -1 3 394.439 0.488 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1cn2c(n1)CCCC2 ZINC000737888818 598402289 /nfs/dbraw/zinc/40/22/89/598402289.db2.gz GKXJPACHPLUWCT-UHFFFAOYSA-N -1 3 394.439 0.488 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1COc2ccccc2C1 ZINC000737888736 598403310 /nfs/dbraw/zinc/40/33/10/598403310.db2.gz DSPADGICJKBHAC-OAHLLOKOSA-N -1 3 378.392 0.716 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1COc2ccccc2C1 ZINC000737888736 598403311 /nfs/dbraw/zinc/40/33/11/598403311.db2.gz DSPADGICJKBHAC-OAHLLOKOSA-N -1 3 378.392 0.716 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736480251 598405631 /nfs/dbraw/zinc/40/56/31/598405631.db2.gz IYOBKGHXGMTQAB-HNNXBMFYSA-N -1 3 399.455 0.361 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736480251 598405632 /nfs/dbraw/zinc/40/56/32/598405632.db2.gz IYOBKGHXGMTQAB-HNNXBMFYSA-N -1 3 399.455 0.361 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(C)[C@@H]1CCOC1 ZINC000736988095 598406458 /nfs/dbraw/zinc/40/64/58/598406458.db2.gz NIQMICVYPUXZFD-CQSZACIVSA-N -1 3 391.476 0.981 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN(C)[C@@H]1CCOC1 ZINC000736988095 598406460 /nfs/dbraw/zinc/40/64/60/598406460.db2.gz NIQMICVYPUXZFD-CQSZACIVSA-N -1 3 391.476 0.981 20 0 GCADHM COc1c(C)cnc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737026968 598406799 /nfs/dbraw/zinc/40/67/99/598406799.db2.gz VGIAZRSXDPSMSG-UHFFFAOYSA-N -1 3 395.423 0.933 20 0 GCADHM COc1c(C)cnc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737026968 598406801 /nfs/dbraw/zinc/40/68/01/598406801.db2.gz VGIAZRSXDPSMSG-UHFFFAOYSA-N -1 3 395.423 0.933 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(F)F)CC1 ZINC000738039293 598406862 /nfs/dbraw/zinc/40/68/62/598406862.db2.gz NUKCUBARAOSGNA-UHFFFAOYSA-N -1 3 379.371 0.006 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(F)F)CC1 ZINC000738039293 598406863 /nfs/dbraw/zinc/40/68/63/598406863.db2.gz NUKCUBARAOSGNA-UHFFFAOYSA-N -1 3 379.371 0.006 20 0 GCADHM NC(=O)c1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000737754095 598408742 /nfs/dbraw/zinc/40/87/42/598408742.db2.gz CQPZOIOAVWUZJI-UHFFFAOYSA-N -1 3 399.798 0.988 20 0 GCADHM NC(=O)c1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000737754095 598408744 /nfs/dbraw/zinc/40/87/44/598408744.db2.gz CQPZOIOAVWUZJI-UHFFFAOYSA-N -1 3 399.798 0.988 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735467605 598409498 /nfs/dbraw/zinc/40/94/98/598409498.db2.gz RYHGBZVIWJUFBR-NOZJJQNGSA-N -1 3 390.425 0.658 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735467605 598409500 /nfs/dbraw/zinc/40/95/00/598409500.db2.gz RYHGBZVIWJUFBR-NOZJJQNGSA-N -1 3 390.425 0.658 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000737889363 598409572 /nfs/dbraw/zinc/40/95/72/598409572.db2.gz MDVZSFMPWFQHSV-MRXNPFEDSA-N -1 3 391.435 0.992 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000737889363 598409574 /nfs/dbraw/zinc/40/95/74/598409574.db2.gz MDVZSFMPWFQHSV-MRXNPFEDSA-N -1 3 391.435 0.992 20 0 GCADHM CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736423809 598409790 /nfs/dbraw/zinc/40/97/90/598409790.db2.gz OIUKXVUFXUWKLN-NWDGAFQWSA-N -1 3 388.428 0.833 20 0 GCADHM CCC[C@H](C)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736423809 598409791 /nfs/dbraw/zinc/40/97/91/598409791.db2.gz OIUKXVUFXUWKLN-NWDGAFQWSA-N -1 3 388.428 0.833 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000736907892 598413574 /nfs/dbraw/zinc/41/35/74/598413574.db2.gz FIXUXFCSVKKUFG-UHFFFAOYSA-N -1 3 386.412 0.962 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736907892 598413576 /nfs/dbraw/zinc/41/35/76/598413576.db2.gz FIXUXFCSVKKUFG-UHFFFAOYSA-N -1 3 386.412 0.962 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)NCCNS(C)(=O)=O ZINC000736480197 598416809 /nfs/dbraw/zinc/41/68/09/598416809.db2.gz LQQUEYDZZZIUEV-UHFFFAOYSA-N -1 3 397.530 0.502 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)NCCNS(C)(=O)=O ZINC000736480197 598416810 /nfs/dbraw/zinc/41/68/10/598416810.db2.gz LQQUEYDZZZIUEV-UHFFFAOYSA-N -1 3 397.530 0.502 20 0 GCADHM CC(C)N(C(=S)NCCNS(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735856566 598416975 /nfs/dbraw/zinc/41/69/75/598416975.db2.gz LBGAKNIVTLIJMD-UHFFFAOYSA-N -1 3 383.503 0.505 20 0 GCADHM CC(C)N(C(=S)NCCNS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735856566 598416977 /nfs/dbraw/zinc/41/69/77/598416977.db2.gz LBGAKNIVTLIJMD-UHFFFAOYSA-N -1 3 383.503 0.505 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)CCN1CCOCC1 ZINC000737023126 598419660 /nfs/dbraw/zinc/41/96/60/598419660.db2.gz BRUHUILZYSIWPH-UHFFFAOYSA-N -1 3 376.417 0.045 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)CCN1CCOCC1 ZINC000737023126 598419662 /nfs/dbraw/zinc/41/96/62/598419662.db2.gz BRUHUILZYSIWPH-UHFFFAOYSA-N -1 3 376.417 0.045 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000737490086 598424938 /nfs/dbraw/zinc/42/49/38/598424938.db2.gz QCJNYXSYIWXPPC-VIFPVBQESA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000737490086 598424940 /nfs/dbraw/zinc/42/49/40/598424940.db2.gz QCJNYXSYIWXPPC-VIFPVBQESA-N -1 3 394.848 0.713 20 0 GCADHM NC(=O)CC[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737745891 598425285 /nfs/dbraw/zinc/42/52/85/598425285.db2.gz GPYHIXRYCMFQOO-GFCCVEGCSA-N -1 3 385.428 0.101 20 0 GCADHM NC(=O)CC[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737745891 598425287 /nfs/dbraw/zinc/42/52/87/598425287.db2.gz GPYHIXRYCMFQOO-GFCCVEGCSA-N -1 3 385.428 0.101 20 0 GCADHM Cc1noc(C)c1CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737538607 598430464 /nfs/dbraw/zinc/43/04/64/598430464.db2.gz WVVAFZKTMZEFTA-UHFFFAOYSA-N -1 3 397.443 0.941 20 0 GCADHM Cc1noc(C)c1CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737538607 598430466 /nfs/dbraw/zinc/43/04/66/598430466.db2.gz WVVAFZKTMZEFTA-UHFFFAOYSA-N -1 3 397.443 0.941 20 0 GCADHM O=C(COC(=O)c1cn2ccccc2n1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737915673 598432392 /nfs/dbraw/zinc/43/23/92/598432392.db2.gz MIAONTVWWKWIMD-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM O=C(COC(=O)c1cn2ccccc2n1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737915673 598432394 /nfs/dbraw/zinc/43/23/94/598432394.db2.gz MIAONTVWWKWIMD-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM CN(Cc1nccn1C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736830880 598432588 /nfs/dbraw/zinc/43/25/88/598432588.db2.gz BVBOSLCYVFTTQI-UHFFFAOYSA-N -1 3 378.400 0.640 20 0 GCADHM CN(Cc1nccn1C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736830880 598432589 /nfs/dbraw/zinc/43/25/89/598432589.db2.gz BVBOSLCYVFTTQI-UHFFFAOYSA-N -1 3 378.400 0.640 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736237031 598434704 /nfs/dbraw/zinc/43/47/04/598434704.db2.gz NWFDKRWNVSGZAL-CMPLNLGQSA-N -1 3 395.427 0.361 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736237031 598434706 /nfs/dbraw/zinc/43/47/06/598434706.db2.gz NWFDKRWNVSGZAL-CMPLNLGQSA-N -1 3 395.427 0.361 20 0 GCADHM CCNC(=O)CN(CC)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736575210 598436310 /nfs/dbraw/zinc/43/63/10/598436310.db2.gz ZALBVOSNTLBBJB-UHFFFAOYSA-N -1 3 383.416 0.233 20 0 GCADHM CCNC(=O)CN(CC)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736575210 598436312 /nfs/dbraw/zinc/43/63/12/598436312.db2.gz ZALBVOSNTLBBJB-UHFFFAOYSA-N -1 3 383.416 0.233 20 0 GCADHM COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736907689 598436433 /nfs/dbraw/zinc/43/64/33/598436433.db2.gz CPSWSSZIIJMOMR-AWEZNQCLSA-N -1 3 396.411 0.802 20 0 GCADHM COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736907689 598436435 /nfs/dbraw/zinc/43/64/35/598436435.db2.gz CPSWSSZIIJMOMR-AWEZNQCLSA-N -1 3 396.411 0.802 20 0 GCADHM Cc1noc([C@H](C)NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000737534910 598436912 /nfs/dbraw/zinc/43/69/12/598436912.db2.gz SEZNWHVDWKGSTH-QMMMGPOBSA-N -1 3 380.372 0.817 20 0 GCADHM Cc1noc([C@H](C)NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000737534910 598436914 /nfs/dbraw/zinc/43/69/14/598436914.db2.gz SEZNWHVDWKGSTH-QMMMGPOBSA-N -1 3 380.372 0.817 20 0 GCADHM NC(=O)C[C@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737745623 598436973 /nfs/dbraw/zinc/43/69/73/598436973.db2.gz DMKIFRGJLUKFFQ-CYBMUJFWSA-N -1 3 395.427 0.505 20 0 GCADHM NC(=O)C[C@H]1CCCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737745623 598436975 /nfs/dbraw/zinc/43/69/75/598436975.db2.gz DMKIFRGJLUKFFQ-CYBMUJFWSA-N -1 3 395.427 0.505 20 0 GCADHM O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000738064848 598438781 /nfs/dbraw/zinc/43/87/81/598438781.db2.gz FTCALYGKZYTPRZ-UHFFFAOYSA-N -1 3 384.400 0.246 20 0 GCADHM O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000738064848 598438783 /nfs/dbraw/zinc/43/87/83/598438783.db2.gz FTCALYGKZYTPRZ-UHFFFAOYSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000736188422 598443705 /nfs/dbraw/zinc/44/37/05/598443705.db2.gz NVXQOSUSJYQYFR-LLVKDONJSA-N -1 3 384.400 0.557 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000736188422 598443706 /nfs/dbraw/zinc/44/37/06/598443706.db2.gz NVXQOSUSJYQYFR-LLVKDONJSA-N -1 3 384.400 0.557 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735912710 598446258 /nfs/dbraw/zinc/44/62/58/598446258.db2.gz BJMBCKGGEVWVAF-UHFFFAOYSA-N -1 3 393.473 0.170 20 0 GCADHM CN(CCc1ccccn1)C(=O)CNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736807560 598447296 /nfs/dbraw/zinc/44/72/96/598447296.db2.gz VMFLTYZNNSHWJM-UHFFFAOYSA-N -1 3 395.423 0.458 20 0 GCADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000737793051 598447489 /nfs/dbraw/zinc/44/74/89/598447489.db2.gz VOZKLMRTWJEZGY-LBPRGKRZSA-N -1 3 376.442 0.782 20 0 GCADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000737793051 598447490 /nfs/dbraw/zinc/44/74/90/598447490.db2.gz VOZKLMRTWJEZGY-LBPRGKRZSA-N -1 3 376.442 0.782 20 0 GCADHM NC(=O)c1ccc(-c2nnn(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737754519 598447947 /nfs/dbraw/zinc/44/79/47/598447947.db2.gz FDSCLVAEVAGRQB-UHFFFAOYSA-N -1 3 390.367 0.258 20 0 GCADHM NC(=O)c1ccc(-c2nnn(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737754519 598447949 /nfs/dbraw/zinc/44/79/49/598447949.db2.gz FDSCLVAEVAGRQB-UHFFFAOYSA-N -1 3 390.367 0.258 20 0 GCADHM CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)CC1 ZINC000736857380 598448163 /nfs/dbraw/zinc/44/81/63/598448163.db2.gz SPLVHWVEMPFQBZ-UHFFFAOYSA-N -1 3 392.423 0.902 20 0 GCADHM CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)CC1 ZINC000736857380 598448164 /nfs/dbraw/zinc/44/81/64/598448164.db2.gz SPLVHWVEMPFQBZ-UHFFFAOYSA-N -1 3 392.423 0.902 20 0 GCADHM CN1CC[C@H](C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1=O ZINC000736849384 598448421 /nfs/dbraw/zinc/44/84/21/598448421.db2.gz SYORLFQUFBIHSQ-LBPRGKRZSA-N -1 3 384.444 0.215 20 0 GCADHM CN1CC[C@H](C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1=O ZINC000736849384 598448423 /nfs/dbraw/zinc/44/84/23/598448423.db2.gz SYORLFQUFBIHSQ-LBPRGKRZSA-N -1 3 384.444 0.215 20 0 GCADHM Cn1cc(C=CC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737605811 598448799 /nfs/dbraw/zinc/44/87/99/598448799.db2.gz WAIUHHIMQNAYBZ-DJWKRKHSSA-N -1 3 379.428 0.794 20 0 GCADHM Cn1cc(C=CC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737605811 598448800 /nfs/dbraw/zinc/44/88/00/598448800.db2.gz WAIUHHIMQNAYBZ-DJWKRKHSSA-N -1 3 379.428 0.794 20 0 GCADHM Cc1cc(OCC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)no1 ZINC000737278345 598449115 /nfs/dbraw/zinc/44/91/15/598449115.db2.gz IKEMHKAIDOYEDI-UHFFFAOYSA-N -1 3 384.400 0.722 20 0 GCADHM Cc1cc(OCC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)no1 ZINC000737278345 598449117 /nfs/dbraw/zinc/44/91/17/598449117.db2.gz IKEMHKAIDOYEDI-UHFFFAOYSA-N -1 3 384.400 0.722 20 0 GCADHM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738184175 598449563 /nfs/dbraw/zinc/44/95/63/598449563.db2.gz COGCNFLYEHCJEF-UHFFFAOYSA-N -1 3 399.436 0.749 20 0 GCADHM O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738184175 598449565 /nfs/dbraw/zinc/44/95/65/598449565.db2.gz COGCNFLYEHCJEF-UHFFFAOYSA-N -1 3 399.436 0.749 20 0 GCADHM COC(=O)NCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736937190 598451335 /nfs/dbraw/zinc/45/13/35/598451335.db2.gz LFXQIOLKAYETSA-UHFFFAOYSA-N -1 3 377.380 0.401 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cn1)Nc1ccc(-n2cccn2)cc1 ZINC000737891449 598451863 /nfs/dbraw/zinc/45/18/63/598451863.db2.gz MBTNNFIOZCMJRR-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cn1)Nc1ccc(-n2cccn2)cc1 ZINC000737891449 598451866 /nfs/dbraw/zinc/45/18/66/598451866.db2.gz MBTNNFIOZCMJRR-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM NC(=O)CCNC(=O)c1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737744650 598454482 /nfs/dbraw/zinc/45/44/82/598454482.db2.gz ACHNFCKYLDLJFR-UHFFFAOYSA-N -1 3 380.368 0.119 20 0 GCADHM NC(=O)CCNC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737744650 598454483 /nfs/dbraw/zinc/45/44/83/598454483.db2.gz ACHNFCKYLDLJFR-UHFFFAOYSA-N -1 3 380.368 0.119 20 0 GCADHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736198740 598456699 /nfs/dbraw/zinc/45/66/99/598456699.db2.gz KLVPERGJHQCNRF-JTQLQIEISA-N -1 3 387.425 0.742 20 0 GCADHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736198740 598456701 /nfs/dbraw/zinc/45/67/01/598456701.db2.gz KLVPERGJHQCNRF-JTQLQIEISA-N -1 3 387.425 0.742 20 0 GCADHM O=C(NC1CC1)C1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000738020741 598457169 /nfs/dbraw/zinc/45/71/69/598457169.db2.gz ORIOEDWDWVTIEF-UHFFFAOYSA-N -1 3 396.455 0.406 20 0 GCADHM O=C(NC1CC1)C1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000738020741 598457171 /nfs/dbraw/zinc/45/71/71/598457171.db2.gz ORIOEDWDWVTIEF-UHFFFAOYSA-N -1 3 396.455 0.406 20 0 GCADHM O=C(Cn1ccccc1=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737988107 598457219 /nfs/dbraw/zinc/45/72/19/598457219.db2.gz GEEOKCBQCQRBCG-UHFFFAOYSA-N -1 3 380.412 0.209 20 0 GCADHM O=C(Cn1ccccc1=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737988107 598457221 /nfs/dbraw/zinc/45/72/21/598457221.db2.gz GEEOKCBQCQRBCG-UHFFFAOYSA-N -1 3 380.412 0.209 20 0 GCADHM COC(=O)c1ccc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC000736949319 598458961 /nfs/dbraw/zinc/45/89/61/598458961.db2.gz RBSJDFQLQQJSAW-UHFFFAOYSA-N -1 3 381.400 0.919 20 0 GCADHM COC(=O)c1ccc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC000736949319 598458962 /nfs/dbraw/zinc/45/89/62/598458962.db2.gz RBSJDFQLQQJSAW-UHFFFAOYSA-N -1 3 381.400 0.919 20 0 GCADHM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738039795 598460689 /nfs/dbraw/zinc/46/06/89/598460689.db2.gz MSFYORBUOAZQST-INIZCTEOSA-N -1 3 375.458 0.199 20 0 GCADHM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738039795 598460691 /nfs/dbraw/zinc/46/06/91/598460691.db2.gz MSFYORBUOAZQST-INIZCTEOSA-N -1 3 375.458 0.199 20 0 GCADHM Cn1ccnc1[C@@](O)(CCNC(=O)c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC000737615850 598460824 /nfs/dbraw/zinc/46/08/24/598460824.db2.gz MPIQZPMRSYYUCM-AWEZNQCLSA-N -1 3 396.333 0.565 20 0 GCADHM Cn1ccnc1[C@@](O)(CCNC(=O)c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC000737615850 598460826 /nfs/dbraw/zinc/46/08/26/598460826.db2.gz MPIQZPMRSYYUCM-AWEZNQCLSA-N -1 3 396.333 0.565 20 0 GCADHM CN1CCN(c2ncccc2CNC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736868606 598461908 /nfs/dbraw/zinc/46/19/08/598461908.db2.gz VCWOPOQESNOMNW-UHFFFAOYSA-N -1 3 379.428 0.339 20 0 GCADHM O=C(CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)Nc1ccncc1 ZINC000737883026 598462241 /nfs/dbraw/zinc/46/22/41/598462241.db2.gz OHPAYZQQBDIJFF-UHFFFAOYSA-N -1 3 382.403 0.583 20 0 GCADHM O=C(CN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)Nc1ccncc1 ZINC000737883026 598462242 /nfs/dbraw/zinc/46/22/42/598462242.db2.gz OHPAYZQQBDIJFF-UHFFFAOYSA-N -1 3 382.403 0.583 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738026091 598462914 /nfs/dbraw/zinc/46/29/14/598462914.db2.gz QTDIHDIANNTIRA-UHFFFAOYSA-N -1 3 378.396 0.691 20 0 GCADHM O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738026091 598462916 /nfs/dbraw/zinc/46/29/16/598462916.db2.gz QTDIHDIANNTIRA-UHFFFAOYSA-N -1 3 378.396 0.691 20 0 GCADHM O=C(CN1CCCC[C@@H]1C(=O)N1CCOCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737877614 598463292 /nfs/dbraw/zinc/46/32/92/598463292.db2.gz NMNAXUVIBJHOTQ-MRXNPFEDSA-N -1 3 399.455 0.519 20 0 GCADHM O=C(CN1CCCC[C@@H]1C(=O)N1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737877614 598463294 /nfs/dbraw/zinc/46/32/94/598463294.db2.gz NMNAXUVIBJHOTQ-MRXNPFEDSA-N -1 3 399.455 0.519 20 0 GCADHM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736886306 598463466 /nfs/dbraw/zinc/46/34/66/598463466.db2.gz HJZVZWHNOPACFD-JTQLQIEISA-N -1 3 387.425 0.661 20 0 GCADHM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736886306 598463468 /nfs/dbraw/zinc/46/34/68/598463468.db2.gz HJZVZWHNOPACFD-JTQLQIEISA-N -1 3 387.425 0.661 20 0 GCADHM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736885746 598463499 /nfs/dbraw/zinc/46/34/99/598463499.db2.gz CQXWVXNGHLWLLS-SNVBAGLBSA-N -1 3 387.425 0.661 20 0 GCADHM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736885746 598463501 /nfs/dbraw/zinc/46/35/01/598463501.db2.gz CQXWVXNGHLWLLS-SNVBAGLBSA-N -1 3 387.425 0.661 20 0 GCADHM COCCN1CC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)C1 ZINC000737008007 598466381 /nfs/dbraw/zinc/46/63/81/598466381.db2.gz RPDCGSKIWKDQFN-ZDUSSCGKSA-N -1 3 389.460 0.354 20 0 GCADHM COCCN1CC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000737008007 598466382 /nfs/dbraw/zinc/46/63/82/598466382.db2.gz RPDCGSKIWKDQFN-ZDUSSCGKSA-N -1 3 389.460 0.354 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737740638 598467925 /nfs/dbraw/zinc/46/79/25/598467925.db2.gz AKOMEFRESGFDJN-QGZVFWFLSA-N -1 3 378.392 0.857 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737740638 598467926 /nfs/dbraw/zinc/46/79/26/598467926.db2.gz AKOMEFRESGFDJN-QGZVFWFLSA-N -1 3 378.392 0.857 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737742810 598470466 /nfs/dbraw/zinc/47/04/66/598470466.db2.gz HGYOZJRQYQCDRV-QGZVFWFLSA-N -1 3 377.408 0.890 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737742810 598470467 /nfs/dbraw/zinc/47/04/67/598470467.db2.gz HGYOZJRQYQCDRV-QGZVFWFLSA-N -1 3 377.408 0.890 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735466627 598471392 /nfs/dbraw/zinc/47/13/92/598471392.db2.gz VRAUUOFHUBZZOL-UHFFFAOYSA-N -1 3 386.416 0.069 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735466627 598471394 /nfs/dbraw/zinc/47/13/94/598471394.db2.gz VRAUUOFHUBZZOL-UHFFFAOYSA-N -1 3 386.416 0.069 20 0 GCADHM O=C(NCC1CCOCC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738051348 598471781 /nfs/dbraw/zinc/47/17/81/598471781.db2.gz LZZKVCJPLPRDON-UHFFFAOYSA-N -1 3 386.460 0.956 20 0 GCADHM O=C(NCC1CCOCC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738051348 598471784 /nfs/dbraw/zinc/47/17/84/598471784.db2.gz LZZKVCJPLPRDON-UHFFFAOYSA-N -1 3 386.460 0.956 20 0 GCADHM CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1cccc(S(N)(=O)=O)c1 ZINC000736366117 598473383 /nfs/dbraw/zinc/47/33/83/598473383.db2.gz ZMDPHGFWAYSNFT-CYBMUJFWSA-N -1 3 387.425 0.790 20 0 GCADHM CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1cccc(S(N)(=O)=O)c1 ZINC000736366117 598473385 /nfs/dbraw/zinc/47/33/85/598473385.db2.gz ZMDPHGFWAYSNFT-CYBMUJFWSA-N -1 3 387.425 0.790 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736910166 598474492 /nfs/dbraw/zinc/47/44/92/598474492.db2.gz NZPCHQJEIHEOAY-NXEZZACHSA-N -1 3 379.760 0.811 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736910166 598474493 /nfs/dbraw/zinc/47/44/93/598474493.db2.gz NZPCHQJEIHEOAY-NXEZZACHSA-N -1 3 379.760 0.811 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)NC(=O)NCC(F)(F)F ZINC000736160920 598476597 /nfs/dbraw/zinc/47/65/97/598476597.db2.gz UAHCITASBYFNQZ-LURJTMIESA-N -1 3 387.278 0.195 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)NC(=O)NCC(F)(F)F ZINC000736160920 598476599 /nfs/dbraw/zinc/47/65/99/598476599.db2.gz UAHCITASBYFNQZ-LURJTMIESA-N -1 3 387.278 0.195 20 0 GCADHM O=C(NCCn1ccnc1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738094417 598476878 /nfs/dbraw/zinc/47/68/78/598476878.db2.gz GLIYZPSYWDQTQZ-UHFFFAOYSA-N -1 3 382.432 0.426 20 0 GCADHM O=C(NCCn1ccnc1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738094417 598476880 /nfs/dbraw/zinc/47/68/80/598476880.db2.gz GLIYZPSYWDQTQZ-UHFFFAOYSA-N -1 3 382.432 0.426 20 0 GCADHM COCc1cccc(CNC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737016244 598477062 /nfs/dbraw/zinc/47/70/62/598477062.db2.gz ATLBPUKNAQPNDT-UHFFFAOYSA-N -1 3 382.380 0.881 20 0 GCADHM COCc1cccc(CNC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737016244 598477064 /nfs/dbraw/zinc/47/70/64/598477064.db2.gz ATLBPUKNAQPNDT-UHFFFAOYSA-N -1 3 382.380 0.881 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)NC(=O)NCc1ccccc1 ZINC000737908892 598478455 /nfs/dbraw/zinc/47/84/55/598478455.db2.gz LJKRNCSTDGIRGA-UHFFFAOYSA-N -1 3 381.352 0.445 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)NC(=O)NCc1ccccc1 ZINC000737908892 598478457 /nfs/dbraw/zinc/47/84/57/598478457.db2.gz LJKRNCSTDGIRGA-UHFFFAOYSA-N -1 3 381.352 0.445 20 0 GCADHM O=C(CCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)N1CCOCC1 ZINC000737845977 598478596 /nfs/dbraw/zinc/47/85/96/598478596.db2.gz DFXADWXZYBTUCR-UHFFFAOYSA-N -1 3 399.455 0.790 20 0 GCADHM O=C(CCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)N1CCOCC1 ZINC000737845977 598478597 /nfs/dbraw/zinc/47/85/97/598478597.db2.gz DFXADWXZYBTUCR-UHFFFAOYSA-N -1 3 399.455 0.790 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736909718 598479498 /nfs/dbraw/zinc/47/94/98/598479498.db2.gz KSNHOKXMNQUVCG-SNVBAGLBSA-N -1 3 388.384 0.219 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736909718 598479500 /nfs/dbraw/zinc/47/95/00/598479500.db2.gz KSNHOKXMNQUVCG-SNVBAGLBSA-N -1 3 388.384 0.219 20 0 GCADHM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)OC ZINC000736333201 598479515 /nfs/dbraw/zinc/47/95/15/598479515.db2.gz TYQSLACHHREDTC-NOZJJQNGSA-N -1 3 376.373 0.122 20 0 GCADHM CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)OC ZINC000736333201 598479518 /nfs/dbraw/zinc/47/95/18/598479518.db2.gz TYQSLACHHREDTC-NOZJJQNGSA-N -1 3 376.373 0.122 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)NC[C@@H]1Cc2ccccc2O1 ZINC000737907251 598479991 /nfs/dbraw/zinc/47/99/91/598479991.db2.gz AEOLHNWPHDYTTK-ZDUSSCGKSA-N -1 3 380.364 0.538 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)NC[C@@H]1Cc2ccccc2O1 ZINC000737907251 598479993 /nfs/dbraw/zinc/47/99/93/598479993.db2.gz AEOLHNWPHDYTTK-ZDUSSCGKSA-N -1 3 380.364 0.538 20 0 GCADHM COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736956098 598481294 /nfs/dbraw/zinc/48/12/94/598481294.db2.gz DOZJGQNUXFSEEF-UHFFFAOYSA-N -1 3 382.336 0.844 20 0 GCADHM COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736956098 598481296 /nfs/dbraw/zinc/48/12/96/598481296.db2.gz DOZJGQNUXFSEEF-UHFFFAOYSA-N -1 3 382.336 0.844 20 0 GCADHM COCCN1C[C@H](C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1=O ZINC000737007636 598488701 /nfs/dbraw/zinc/48/87/01/598488701.db2.gz OYNBBJDGEKYCCD-GFCCVEGCSA-N -1 3 375.433 0.857 20 0 GCADHM COCCN1C[C@H](C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1=O ZINC000737007636 598488702 /nfs/dbraw/zinc/48/87/02/598488702.db2.gz OYNBBJDGEKYCCD-GFCCVEGCSA-N -1 3 375.433 0.857 20 0 GCADHM COC(=O)N[C@@H](C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C(C)C ZINC000736937527 598496093 /nfs/dbraw/zinc/49/60/93/598496093.db2.gz WMPNYGTWFYPVDN-CQSZACIVSA-N -1 3 388.432 0.291 20 0 GCADHM COC(=O)N[C@@H](C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C(C)C ZINC000736937527 598496094 /nfs/dbraw/zinc/49/60/94/598496094.db2.gz WMPNYGTWFYPVDN-CQSZACIVSA-N -1 3 388.432 0.291 20 0 GCADHM S=C(NCCc1cccnc1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738401740 598497351 /nfs/dbraw/zinc/49/73/51/598497351.db2.gz SNQUQLOUKHROBH-UHFFFAOYSA-N -1 3 395.496 0.896 20 0 GCADHM S=C(NCCc1cccnc1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738401740 598497353 /nfs/dbraw/zinc/49/73/53/598497353.db2.gz SNQUQLOUKHROBH-UHFFFAOYSA-N -1 3 395.496 0.896 20 0 GCADHM O=C(CCc1nc(-c2ncccn2)no1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737859691 598498933 /nfs/dbraw/zinc/49/89/33/598498933.db2.gz ICPPPWDIFTYUKX-UHFFFAOYSA-N -1 3 377.368 0.956 20 0 GCADHM O=C(CCc1nc(-c2ncccn2)no1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737859691 598498935 /nfs/dbraw/zinc/49/89/35/598498935.db2.gz ICPPPWDIFTYUKX-UHFFFAOYSA-N -1 3 377.368 0.956 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735474341 598507661 /nfs/dbraw/zinc/50/76/61/598507661.db2.gz INHFZUWYUKMKEJ-UHFFFAOYSA-N -1 3 378.458 0.733 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735474341 598507662 /nfs/dbraw/zinc/50/76/62/598507662.db2.gz INHFZUWYUKMKEJ-UHFFFAOYSA-N -1 3 378.458 0.733 20 0 GCADHM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736890989 598509291 /nfs/dbraw/zinc/50/92/91/598509291.db2.gz HIHAYTIDJSIESC-LLVKDONJSA-N -1 3 379.442 0.970 20 0 GCADHM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736890989 598509292 /nfs/dbraw/zinc/50/92/92/598509292.db2.gz HIHAYTIDJSIESC-LLVKDONJSA-N -1 3 379.442 0.970 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409501 607359335 /nfs/dbraw/zinc/35/93/35/607359335.db2.gz CBBMOKJBZJXFKU-ZIAGYGMSSA-N -1 3 397.391 0.768 20 0 GCADHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409501 607359336 /nfs/dbraw/zinc/35/93/36/607359336.db2.gz CBBMOKJBZJXFKU-ZIAGYGMSSA-N -1 3 397.391 0.768 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)N1CCOCC1 ZINC000736132344 598510332 /nfs/dbraw/zinc/51/03/32/598510332.db2.gz VHQMUFVBIWEBGM-OLZOCXBDSA-N -1 3 380.474 0.395 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)N1CCOCC1 ZINC000736132344 598510334 /nfs/dbraw/zinc/51/03/34/598510334.db2.gz VHQMUFVBIWEBGM-OLZOCXBDSA-N -1 3 380.474 0.395 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000736813407 598511019 /nfs/dbraw/zinc/51/10/19/598511019.db2.gz KARZAQXYOGYZNG-MRXNPFEDSA-N -1 3 399.436 0.555 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 ZINC000736813407 598511020 /nfs/dbraw/zinc/51/10/20/598511020.db2.gz KARZAQXYOGYZNG-MRXNPFEDSA-N -1 3 399.436 0.555 20 0 GCADHM O=C(C1=COCC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737783641 598511852 /nfs/dbraw/zinc/51/18/52/598511852.db2.gz RLCUHRJIQIAIKG-UHFFFAOYSA-N -1 3 390.425 0.004 20 0 GCADHM O=C(C1=COCC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737783641 598511853 /nfs/dbraw/zinc/51/18/53/598511853.db2.gz RLCUHRJIQIAIKG-UHFFFAOYSA-N -1 3 390.425 0.004 20 0 GCADHM CNC(=O)CCN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736870764 598524021 /nfs/dbraw/zinc/52/40/21/598524021.db2.gz LIFTZMUFHMTUNN-VIFPVBQESA-N -1 3 377.474 0.812 20 0 GCADHM CNC(=O)CCN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736870764 598524022 /nfs/dbraw/zinc/52/40/22/598524022.db2.gz LIFTZMUFHMTUNN-VIFPVBQESA-N -1 3 377.474 0.812 20 0 GCADHM O=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738022894 598534113 /nfs/dbraw/zinc/53/41/13/598534113.db2.gz UENMQHFQTXLDOQ-UHFFFAOYSA-N -1 3 376.442 0.546 20 0 GCADHM O=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738022894 598534115 /nfs/dbraw/zinc/53/41/15/598534115.db2.gz UENMQHFQTXLDOQ-UHFFFAOYSA-N -1 3 376.442 0.546 20 0 GCADHM CN(C)CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCS(C)(=O)=O ZINC000736767163 598536220 /nfs/dbraw/zinc/53/62/20/598536220.db2.gz MJCKBOJEDWVRLX-UHFFFAOYSA-N -1 3 394.501 0.582 20 0 GCADHM CC(=O)NC1(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000735473992 598541519 /nfs/dbraw/zinc/54/15/19/598541519.db2.gz DWGLPKQGDACONG-UHFFFAOYSA-N -1 3 386.412 0.475 20 0 GCADHM CC(=O)NC1(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000735473992 598541520 /nfs/dbraw/zinc/54/15/20/598541520.db2.gz DWGLPKQGDACONG-UHFFFAOYSA-N -1 3 386.412 0.475 20 0 GCADHM Cc1c(C(=O)n2ncc(-c3nnn[n-]3)c2N)nnn1-c1cccc2cnccc21 ZINC000737208336 598541952 /nfs/dbraw/zinc/54/19/52/598541952.db2.gz ANGZCKFCAZMKNK-UHFFFAOYSA-N -1 3 387.367 0.771 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737838264 598547125 /nfs/dbraw/zinc/54/71/25/598547125.db2.gz LGUXOAFOSIIEEN-UHFFFAOYSA-N -1 3 380.311 0.946 20 0 GCADHM O=C(CCN1C(=O)CCC1=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737838264 598547127 /nfs/dbraw/zinc/54/71/27/598547127.db2.gz LGUXOAFOSIIEEN-UHFFFAOYSA-N -1 3 380.311 0.946 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736450985 598547971 /nfs/dbraw/zinc/54/79/71/598547971.db2.gz DQPXWDCKNZXLQR-UHFFFAOYSA-N -1 3 381.462 0.395 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736450985 598547972 /nfs/dbraw/zinc/54/79/72/598547972.db2.gz DQPXWDCKNZXLQR-UHFFFAOYSA-N -1 3 381.462 0.395 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736659775 598556431 /nfs/dbraw/zinc/55/64/31/598556431.db2.gz WAOMYPQSGVFYDH-UHFFFAOYSA-N -1 3 378.458 0.753 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736659775 598556433 /nfs/dbraw/zinc/55/64/33/598556433.db2.gz WAOMYPQSGVFYDH-UHFFFAOYSA-N -1 3 378.458 0.753 20 0 GCADHM CCN(C1CCN(c2nnc(C)c(C)c2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000736512570 598556703 /nfs/dbraw/zinc/55/67/03/598556703.db2.gz QSIBKJPQMPHDNL-UHFFFAOYSA-N -1 3 380.478 0.524 20 0 GCADHM CCN(C1CCN(c2nnc(C)c(C)c2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000736512570 598556705 /nfs/dbraw/zinc/55/67/05/598556705.db2.gz QSIBKJPQMPHDNL-UHFFFAOYSA-N -1 3 380.478 0.524 20 0 GCADHM CCC(CC)N1C[C@@H](C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1=O ZINC000736345794 598557561 /nfs/dbraw/zinc/55/75/61/598557561.db2.gz LOAOXQFSEZMQHZ-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CCC(CC)N1C[C@@H](C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1=O ZINC000736345794 598557563 /nfs/dbraw/zinc/55/75/63/598557563.db2.gz LOAOXQFSEZMQHZ-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM O=C(COC(=O)COc1ccccc1-c1nnn[n-]1)NCC(=O)c1ccccc1 ZINC000737904007 598558105 /nfs/dbraw/zinc/55/81/05/598558105.db2.gz GXFJNLLZYFJEQY-UHFFFAOYSA-N -1 3 395.375 0.788 20 0 GCADHM O=C(COC(=O)COc1ccccc1-c1nn[n-]n1)NCC(=O)c1ccccc1 ZINC000737904007 598558107 /nfs/dbraw/zinc/55/81/07/598558107.db2.gz GXFJNLLZYFJEQY-UHFFFAOYSA-N -1 3 395.375 0.788 20 0 GCADHM COCCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736980358 598563611 /nfs/dbraw/zinc/56/36/11/598563611.db2.gz DTNLCZSOLFUENH-UHFFFAOYSA-N -1 3 384.343 0.949 20 0 GCADHM COCCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736980358 598563612 /nfs/dbraw/zinc/56/36/12/598563612.db2.gz DTNLCZSOLFUENH-UHFFFAOYSA-N -1 3 384.343 0.949 20 0 GCADHM COCCOc1ncccc1NC(=O)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737013859 598563749 /nfs/dbraw/zinc/56/37/49/598563749.db2.gz LVIQNBAVAUQVIV-UHFFFAOYSA-N -1 3 397.395 0.542 20 0 GCADHM COCCOc1ncccc1NC(=O)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737013859 598563750 /nfs/dbraw/zinc/56/37/50/598563750.db2.gz LVIQNBAVAUQVIV-UHFFFAOYSA-N -1 3 397.395 0.542 20 0 GCADHM CCCNC(=O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736483515 598563870 /nfs/dbraw/zinc/56/38/70/598563870.db2.gz MFQJQPWBXFNZED-UHFFFAOYSA-N -1 3 397.342 0.049 20 0 GCADHM CCCNC(=O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736483515 598563871 /nfs/dbraw/zinc/56/38/71/598563871.db2.gz MFQJQPWBXFNZED-UHFFFAOYSA-N -1 3 397.342 0.049 20 0 GCADHM COCCCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736980845 598564018 /nfs/dbraw/zinc/56/40/18/598564018.db2.gz FLTSUNUKJVINHZ-UHFFFAOYSA-N -1 3 384.343 0.902 20 0 GCADHM COCCCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736980845 598564019 /nfs/dbraw/zinc/56/40/19/598564019.db2.gz FLTSUNUKJVINHZ-UHFFFAOYSA-N -1 3 384.343 0.902 20 0 GCADHM COCCN(CCC(=O)Nc1sccc1-c1nnn[n-]1)CC(=O)N(C)C ZINC000736994667 598564176 /nfs/dbraw/zinc/56/41/76/598564176.db2.gz KLTVJXDUJRWGOF-UHFFFAOYSA-N -1 3 381.462 0.293 20 0 GCADHM COCC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736977178 598565706 /nfs/dbraw/zinc/56/57/06/598565706.db2.gz VBCQEOOSHBQKCH-MRVPVSSYSA-N -1 3 384.343 0.948 20 0 GCADHM COCC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736977178 598565708 /nfs/dbraw/zinc/56/57/08/598565708.db2.gz VBCQEOOSHBQKCH-MRVPVSSYSA-N -1 3 384.343 0.948 20 0 GCADHM CC[C@@H](C)NC(=O)CN1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000736328120 598566200 /nfs/dbraw/zinc/56/62/00/598566200.db2.gz VKVREMQEXOKBNU-CYBMUJFWSA-N -1 3 383.460 0.551 20 0 GCADHM CC[C@@H](C)NC(=O)CN1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000736328120 598566202 /nfs/dbraw/zinc/56/62/02/598566202.db2.gz VKVREMQEXOKBNU-CYBMUJFWSA-N -1 3 383.460 0.551 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)CN(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736603040 598566396 /nfs/dbraw/zinc/56/63/96/598566396.db2.gz RJEDNJGEPAOTDK-UHFFFAOYSA-N -1 3 398.427 0.847 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NCCC1N=NC(=S)N1C1CC1 ZINC000737932531 598567635 /nfs/dbraw/zinc/56/76/35/598567635.db2.gz YHFMVUIDUKEOHV-UHFFFAOYSA-N -1 3 386.441 0.820 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NCCC1N=NC(=S)N1C1CC1 ZINC000737932531 598567636 /nfs/dbraw/zinc/56/76/36/598567636.db2.gz YHFMVUIDUKEOHV-UHFFFAOYSA-N -1 3 386.441 0.820 20 0 GCADHM C[C@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736229611 598569095 /nfs/dbraw/zinc/56/90/95/598569095.db2.gz OLVARTLJZNSHOJ-GOSISDBHSA-N -1 3 392.379 0.667 20 0 GCADHM C[C@]1(c2ccccn2)NC(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736229611 598569097 /nfs/dbraw/zinc/56/90/97/598569097.db2.gz OLVARTLJZNSHOJ-GOSISDBHSA-N -1 3 392.379 0.667 20 0 GCADHM CN(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736760783 598569661 /nfs/dbraw/zinc/56/96/61/598569661.db2.gz CTEIOICDBNVWEE-CYBMUJFWSA-N -1 3 385.453 0.943 20 0 GCADHM CN(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736760783 598569663 /nfs/dbraw/zinc/56/96/63/598569663.db2.gz CTEIOICDBNVWEE-CYBMUJFWSA-N -1 3 385.453 0.943 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000736634852 598569792 /nfs/dbraw/zinc/56/97/92/598569792.db2.gz JSAOZAQURJJYGI-UHFFFAOYSA-N -1 3 399.411 0.972 20 0 GCADHM C[C@H](C(=O)Nc1ncccn1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000735569140 598580517 /nfs/dbraw/zinc/58/05/17/598580517.db2.gz FNKUAJRSGBGXQK-GFCCVEGCSA-N -1 3 380.416 0.201 20 0 GCADHM C[C@H](C(=O)Nc1ncccn1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000735569140 598580518 /nfs/dbraw/zinc/58/05/18/598580518.db2.gz FNKUAJRSGBGXQK-GFCCVEGCSA-N -1 3 380.416 0.201 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(Cc1cc(-c3nnn[n-]3)ccc1F)c2=O ZINC000736933013 598586414 /nfs/dbraw/zinc/58/64/14/598586414.db2.gz ZZJMLLXUEIKKMU-UHFFFAOYSA-N -1 3 384.331 0.134 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(Cc1cc(-c3nn[n-]n3)ccc1F)c2=O ZINC000736933013 598586416 /nfs/dbraw/zinc/58/64/16/598586416.db2.gz ZZJMLLXUEIKKMU-UHFFFAOYSA-N -1 3 384.331 0.134 20 0 GCADHM COCCOCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737007321 598586880 /nfs/dbraw/zinc/58/68/80/598586880.db2.gz ZQGFTAPDQDKKPZ-ZDUSSCGKSA-N -1 3 392.441 0.370 20 0 GCADHM COCCOCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737007321 598586881 /nfs/dbraw/zinc/58/68/81/598586881.db2.gz ZQGFTAPDQDKKPZ-ZDUSSCGKSA-N -1 3 392.441 0.370 20 0 GCADHM CN(C)C(=O)c1ccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736751523 598594837 /nfs/dbraw/zinc/59/48/37/598594837.db2.gz LYQYEGZQXUZWBT-UHFFFAOYSA-N -1 3 380.412 0.805 20 0 GCADHM CN(C)C(=O)c1ccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736751523 598594839 /nfs/dbraw/zinc/59/48/39/598594839.db2.gz LYQYEGZQXUZWBT-UHFFFAOYSA-N -1 3 380.412 0.805 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738320854 598595760 /nfs/dbraw/zinc/59/57/60/598595760.db2.gz YSCZBQDVLSKBMX-CYBMUJFWSA-N -1 3 378.458 0.355 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738320854 598595761 /nfs/dbraw/zinc/59/57/61/598595761.db2.gz YSCZBQDVLSKBMX-CYBMUJFWSA-N -1 3 378.458 0.355 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCN1c1ccccc1 ZINC000738297374 598597602 /nfs/dbraw/zinc/59/76/02/598597602.db2.gz QOMXMJAELQBDFG-HNNXBMFYSA-N -1 3 384.421 0.951 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCN1c1ccccc1 ZINC000738297374 598597604 /nfs/dbraw/zinc/59/76/04/598597604.db2.gz QOMXMJAELQBDFG-HNNXBMFYSA-N -1 3 384.421 0.951 20 0 GCADHM O=C(COC(=O)c1n[nH]c2c1CCCC2)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737904564 598598573 /nfs/dbraw/zinc/59/85/73/598598573.db2.gz PJBJRXPBECMWSD-UHFFFAOYSA-N -1 3 381.396 0.942 20 0 GCADHM COc1ccc(C(C)=O)cc1CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737074203 598602329 /nfs/dbraw/zinc/60/23/29/598602329.db2.gz WAIKNYVJGNDEJD-UHFFFAOYSA-N -1 3 385.384 0.643 20 0 GCADHM COc1ccc(C(C)=O)cc1CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737074203 598602331 /nfs/dbraw/zinc/60/23/31/598602331.db2.gz WAIKNYVJGNDEJD-UHFFFAOYSA-N -1 3 385.384 0.643 20 0 GCADHM CN(CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)C(=O)c1cccs1 ZINC000736787865 598602341 /nfs/dbraw/zinc/60/23/41/598602341.db2.gz GTRKWBORQVMKSH-UHFFFAOYSA-N -1 3 376.402 0.022 20 0 GCADHM CN(CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)C(=O)c1cccs1 ZINC000736787865 598602343 /nfs/dbraw/zinc/60/23/43/598602343.db2.gz GTRKWBORQVMKSH-UHFFFAOYSA-N -1 3 376.402 0.022 20 0 GCADHM CN(C(=O)C1CC1)c1ccccc1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736732704 598602348 /nfs/dbraw/zinc/60/23/48/598602348.db2.gz PLEYVZPYCYWEIK-UHFFFAOYSA-N -1 3 396.411 0.875 20 0 GCADHM CN(C(=O)C1CC1)c1ccccc1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736732704 598602351 /nfs/dbraw/zinc/60/23/51/598602351.db2.gz PLEYVZPYCYWEIK-UHFFFAOYSA-N -1 3 396.411 0.875 20 0 GCADHM Cc1ccnn1-c1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737445551 598602586 /nfs/dbraw/zinc/60/25/86/598602586.db2.gz RFZLXUIDIZIHDA-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM Cc1ccnn1-c1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737445551 598602589 /nfs/dbraw/zinc/60/25/89/598602589.db2.gz RFZLXUIDIZIHDA-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000737772476 598603301 /nfs/dbraw/zinc/60/33/01/598603301.db2.gz ZFZHXPCZQDOTHX-CQSZACIVSA-N -1 3 396.411 0.493 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000737772476 598603303 /nfs/dbraw/zinc/60/33/03/598603303.db2.gz ZFZHXPCZQDOTHX-CQSZACIVSA-N -1 3 396.411 0.493 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cc1cc2ccccc2[nH]c1=O ZINC000737769729 598604182 /nfs/dbraw/zinc/60/41/82/598604182.db2.gz CNSDDUAUVIZSAD-UHFFFAOYSA-N -1 3 380.368 0.685 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cc1cc2ccccc2[nH]c1=O ZINC000737769729 598604183 /nfs/dbraw/zinc/60/41/83/598604183.db2.gz CNSDDUAUVIZSAD-UHFFFAOYSA-N -1 3 380.368 0.685 20 0 GCADHM COc1ccc2c(c1)C[C@@H](C(=O)OCCn1ncc(-c3nnn[n-]3)c1N)CO2 ZINC000737114735 598604430 /nfs/dbraw/zinc/60/44/30/598604430.db2.gz LFMVVHJWOOABFS-LLVKDONJSA-N -1 3 385.384 0.449 20 0 GCADHM COc1ccc2c(c1)C[C@@H](C(=O)OCCn1ncc(-c3nn[n-]n3)c1N)CO2 ZINC000737114735 598604432 /nfs/dbraw/zinc/60/44/32/598604432.db2.gz LFMVVHJWOOABFS-LLVKDONJSA-N -1 3 385.384 0.449 20 0 GCADHM COc1cccc(CO[C@H](C)C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000737131412 598605644 /nfs/dbraw/zinc/60/56/44/598605644.db2.gz CWZQNNAYVUVGRG-LLVKDONJSA-N -1 3 387.400 0.803 20 0 GCADHM COc1cccc(CO[C@H](C)C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000737131412 598605646 /nfs/dbraw/zinc/60/56/46/598605646.db2.gz CWZQNNAYVUVGRG-LLVKDONJSA-N -1 3 387.400 0.803 20 0 GCADHM C[C@H]1Oc2ccccc2N(CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1=O ZINC000736300926 598605780 /nfs/dbraw/zinc/60/57/80/598605780.db2.gz HUFKIQPKUTZSSX-SNVBAGLBSA-N -1 3 398.383 0.003 20 0 GCADHM C[C@H]1Oc2ccccc2N(CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1=O ZINC000736300926 598605782 /nfs/dbraw/zinc/60/57/82/598605782.db2.gz HUFKIQPKUTZSSX-SNVBAGLBSA-N -1 3 398.383 0.003 20 0 GCADHM Cc1ccn(-c2ccc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000737434784 598605885 /nfs/dbraw/zinc/60/58/85/598605885.db2.gz BYHOLKFYSRTMTH-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM Cc1ccn(-c2ccc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000737434784 598605886 /nfs/dbraw/zinc/60/58/86/598605886.db2.gz BYHOLKFYSRTMTH-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737769486 598606027 /nfs/dbraw/zinc/60/60/27/598606027.db2.gz LFWZCLNYFZWVGR-UHFFFAOYSA-N -1 3 392.372 0.671 20 0 GCADHM NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737769486 598606028 /nfs/dbraw/zinc/60/60/28/598606028.db2.gz LFWZCLNYFZWVGR-UHFFFAOYSA-N -1 3 392.372 0.671 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCn1cc(Br)cn1 ZINC000737770104 598606011 /nfs/dbraw/zinc/60/60/11/598606011.db2.gz IDBRJKBDUKEZMS-UHFFFAOYSA-N -1 3 396.209 0.238 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCn1cc(Br)cn1 ZINC000737770104 598606013 /nfs/dbraw/zinc/60/60/13/598606013.db2.gz IDBRJKBDUKEZMS-UHFFFAOYSA-N -1 3 396.209 0.238 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736233955 598607540 /nfs/dbraw/zinc/60/75/40/598607540.db2.gz HIXJBIZFESPTKS-BXUZGUMPSA-N -1 3 376.442 0.356 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736233955 598607542 /nfs/dbraw/zinc/60/75/42/598607542.db2.gz HIXJBIZFESPTKS-BXUZGUMPSA-N -1 3 376.442 0.356 20 0 GCADHM Cc1nc(Cc2noc(-c3ccc(-n4ncc(-c5nnn[n-]5)c4N)cc3)n2)no1 ZINC000737478753 598608964 /nfs/dbraw/zinc/60/89/64/598608964.db2.gz YISSZKDUURUOTN-UHFFFAOYSA-N -1 3 391.355 0.967 20 0 GCADHM Cc1nc(Cc2noc(-c3ccc(-n4ncc(-c5nn[n-]n5)c4N)cc3)n2)no1 ZINC000737478753 598608966 /nfs/dbraw/zinc/60/89/66/598608966.db2.gz YISSZKDUURUOTN-UHFFFAOYSA-N -1 3 391.355 0.967 20 0 GCADHM CC(=O)N[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000735473637 598615268 /nfs/dbraw/zinc/61/52/68/598615268.db2.gz CFUHYWHGQPVTAQ-UKRRQHHQSA-N -1 3 383.412 0.099 20 0 GCADHM CC(=O)N[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000735473637 598615270 /nfs/dbraw/zinc/61/52/70/598615270.db2.gz CFUHYWHGQPVTAQ-UKRRQHHQSA-N -1 3 383.412 0.099 20 0 GCADHM CC(C)C(=O)N1CCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000735684386 598615677 /nfs/dbraw/zinc/61/56/77/598615677.db2.gz KWBYJNFIPUTZLX-HNNXBMFYSA-N -1 3 397.439 0.299 20 0 GCADHM CC(C)C(=O)N1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735684386 598615678 /nfs/dbraw/zinc/61/56/78/598615678.db2.gz KWBYJNFIPUTZLX-HNNXBMFYSA-N -1 3 397.439 0.299 20 0 GCADHM CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736590131 598615958 /nfs/dbraw/zinc/61/59/58/598615958.db2.gz FGSCAKLNWAZVOI-ZFWWWQNUSA-N -1 3 398.423 0.774 20 0 GCADHM CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736590131 598615960 /nfs/dbraw/zinc/61/59/60/598615960.db2.gz FGSCAKLNWAZVOI-ZFWWWQNUSA-N -1 3 398.423 0.774 20 0 GCADHM COC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736911610 598615964 /nfs/dbraw/zinc/61/59/64/598615964.db2.gz HCMOVDBMWYQRJQ-AWEZNQCLSA-N -1 3 384.396 0.384 20 0 GCADHM COC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736911610 598615966 /nfs/dbraw/zinc/61/59/66/598615966.db2.gz HCMOVDBMWYQRJQ-AWEZNQCLSA-N -1 3 384.396 0.384 20 0 GCADHM C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111583 598618537 /nfs/dbraw/zinc/61/85/37/598618537.db2.gz MIEPZBKPHYSNOF-NSHDSACASA-N -1 3 386.437 0.934 20 0 GCADHM C[C@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111583 598618540 /nfs/dbraw/zinc/61/85/40/598618540.db2.gz MIEPZBKPHYSNOF-NSHDSACASA-N -1 3 386.437 0.934 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCc1cn2ccccc2n1 ZINC000737892714 598619738 /nfs/dbraw/zinc/61/97/38/598619738.db2.gz ZOTGZKWQRFOQGF-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCc1cn2ccccc2n1 ZINC000737892714 598619740 /nfs/dbraw/zinc/61/97/40/598619740.db2.gz ZOTGZKWQRFOQGF-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM COCCCNC(=O)COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736987241 598619880 /nfs/dbraw/zinc/61/98/80/598619880.db2.gz VYLWHSPYVWRJIY-OAHLLOKOSA-N -1 3 388.428 0.531 20 0 GCADHM COCCCNC(=O)COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736987239 598619930 /nfs/dbraw/zinc/61/99/30/598619930.db2.gz VYLWHSPYVWRJIY-HNNXBMFYSA-N -1 3 388.428 0.531 20 0 GCADHM CNS(=O)(=O)C1CCN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736884606 598627815 /nfs/dbraw/zinc/62/78/15/598627815.db2.gz WASHNFHPWVZVID-NSHDSACASA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)C1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736884606 598627816 /nfs/dbraw/zinc/62/78/16/598627816.db2.gz WASHNFHPWVZVID-NSHDSACASA-N -1 3 393.473 0.207 20 0 GCADHM CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737169426 598629293 /nfs/dbraw/zinc/62/92/93/598629293.db2.gz XEBWPVUFFSCGML-SNVBAGLBSA-N -1 3 397.436 0.799 20 0 GCADHM CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 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NS(=O)(=O)CC1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737765217 598689082 /nfs/dbraw/zinc/68/90/82/598689082.db2.gz TZASJSYFSXZYNO-UHFFFAOYSA-N -1 3 378.458 0.326 20 0 GCADHM NS(=O)(=O)CC1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737765217 598689084 /nfs/dbraw/zinc/68/90/84/598689084.db2.gz TZASJSYFSXZYNO-UHFFFAOYSA-N -1 3 378.458 0.326 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736301586 598691273 /nfs/dbraw/zinc/69/12/73/598691273.db2.gz DXDXVUNFQSSXLM-UHFFFAOYSA-N -1 3 382.421 0.639 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735457673 598692423 /nfs/dbraw/zinc/69/24/23/598692423.db2.gz BAHSPULQRZEFKG-UHFFFAOYSA-N -1 3 382.421 0.637 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)Nc1cccnc1 ZINC000737894540 598693653 /nfs/dbraw/zinc/69/36/53/598693653.db2.gz GHFASVZSUSQLID-UHFFFAOYSA-N -1 3 377.361 0.318 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)Nc1cccnc1 ZINC000737894540 598693654 /nfs/dbraw/zinc/69/36/54/598693654.db2.gz GHFASVZSUSQLID-UHFFFAOYSA-N -1 3 377.361 0.318 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738342843 598693763 /nfs/dbraw/zinc/69/37/63/598693763.db2.gz LWNSCSFPBPSCRC-WDEREUQCSA-N -1 3 382.421 0.147 20 0 GCADHM CC(=O)N1CCN(CCNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735465972 598698315 /nfs/dbraw/zinc/69/83/15/598698315.db2.gz OFTAIGYOLYHHBW-UHFFFAOYSA-N -1 3 389.485 0.239 20 0 GCADHM CC(=O)N1CCN(CCNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735465972 598698317 /nfs/dbraw/zinc/69/83/17/598698317.db2.gz OFTAIGYOLYHHBW-UHFFFAOYSA-N -1 3 389.485 0.239 20 0 GCADHM CN(CC(=O)N1CCOCC1)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736784018 598698824 /nfs/dbraw/zinc/69/88/24/598698824.db2.gz WMHYVDOLJYHDTL-UHFFFAOYSA-N -1 3 382.428 0.478 20 0 GCADHM CN(CC(=O)N1CCOCC1)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736784018 598698825 /nfs/dbraw/zinc/69/88/25/598698825.db2.gz WMHYVDOLJYHDTL-UHFFFAOYSA-N -1 3 382.428 0.478 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)NCc1cccnc1 ZINC000737880689 598700448 /nfs/dbraw/zinc/70/04/48/598700448.db2.gz BUFSMUNWQMQCSV-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)NCc1cccnc1 ZINC000737880689 598700450 /nfs/dbraw/zinc/70/04/50/598700450.db2.gz BUFSMUNWQMQCSV-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1=O ZINC000736397674 598701010 /nfs/dbraw/zinc/70/10/10/598701010.db2.gz UOTMTWXLIUASLY-MRXNPFEDSA-N -1 3 376.348 0.770 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1=O ZINC000736397674 598701014 /nfs/dbraw/zinc/70/10/14/598701014.db2.gz UOTMTWXLIUASLY-MRXNPFEDSA-N -1 3 376.348 0.770 20 0 GCADHM O=C1[C@H](N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCN1CC(F)(F)F ZINC000738289655 598701146 /nfs/dbraw/zinc/70/11/46/598701146.db2.gz LBLNPMMFUHWJFI-GFCCVEGCSA-N -1 3 396.377 0.547 20 0 GCADHM O=C1[C@H](N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCN1CC(F)(F)F ZINC000738289655 598701148 /nfs/dbraw/zinc/70/11/48/598701148.db2.gz LBLNPMMFUHWJFI-GFCCVEGCSA-N -1 3 396.377 0.547 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](n2ccnc2)C1 ZINC000738040069 598701231 /nfs/dbraw/zinc/70/12/31/598701231.db2.gz RQMNELZODMDNJO-OAHLLOKOSA-N -1 3 380.412 0.657 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](n2ccnc2)C1 ZINC000738040069 598701233 /nfs/dbraw/zinc/70/12/33/598701233.db2.gz RQMNELZODMDNJO-OAHLLOKOSA-N -1 3 380.412 0.657 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)C1=O ZINC000736214620 598702917 /nfs/dbraw/zinc/70/29/17/598702917.db2.gz OXKGEOKATYCWID-QGZVFWFLSA-N -1 3 388.359 0.770 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)C1=O ZINC000736214620 598702918 /nfs/dbraw/zinc/70/29/18/598702918.db2.gz OXKGEOKATYCWID-QGZVFWFLSA-N -1 3 388.359 0.770 20 0 GCADHM CNC(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736872001 598705149 /nfs/dbraw/zinc/70/51/49/598705149.db2.gz VNBRAPGDDLBXRT-ZYHUDNBSSA-N -1 3 375.433 0.862 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736524395 598709100 /nfs/dbraw/zinc/70/91/00/598709100.db2.gz VNPHLOHJSLEBPG-AWEZNQCLSA-N -1 3 378.458 0.888 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736524395 598709102 /nfs/dbraw/zinc/70/91/02/598709102.db2.gz VNPHLOHJSLEBPG-AWEZNQCLSA-N -1 3 378.458 0.888 20 0 GCADHM CS(=O)(=O)CCCOC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737163440 598710967 /nfs/dbraw/zinc/71/09/67/598710967.db2.gz VKOKJXJJIOOXJT-CQSZACIVSA-N -1 3 379.442 0.813 20 0 GCADHM Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737312224 598711191 /nfs/dbraw/zinc/71/11/91/598711191.db2.gz GYXUKGNFOWMTEI-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737312224 598711192 /nfs/dbraw/zinc/71/11/92/598711192.db2.gz GYXUKGNFOWMTEI-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000738304474 598711592 /nfs/dbraw/zinc/71/15/92/598711592.db2.gz ZWBJTEHCXDWBEG-CYBMUJFWSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000738304474 598711593 /nfs/dbraw/zinc/71/15/93/598711593.db2.gz ZWBJTEHCXDWBEG-CYBMUJFWSA-N -1 3 376.442 0.642 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)C2 ZINC000669628098 598711750 /nfs/dbraw/zinc/71/17/50/598711750.db2.gz VVUZTFLDVUXFAC-UHFFFAOYSA-N -1 3 394.848 0.879 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)C2 ZINC000669628098 598711752 /nfs/dbraw/zinc/71/17/52/598711752.db2.gz VVUZTFLDVUXFAC-UHFFFAOYSA-N -1 3 394.848 0.879 20 0 GCADHM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000735952795 598712426 /nfs/dbraw/zinc/71/24/26/598712426.db2.gz LCHFTBRBZGLDJW-UHFFFAOYSA-N -1 3 392.420 0.925 20 0 GCADHM O=C([C@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1)N1CCCC1 ZINC000737792610 598712851 /nfs/dbraw/zinc/71/28/51/598712851.db2.gz RLENALDSCREBKX-AWEZNQCLSA-N -1 3 390.469 0.890 20 0 GCADHM O=C([C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1)N1CCCC1 ZINC000737792610 598712853 /nfs/dbraw/zinc/71/28/53/598712853.db2.gz RLENALDSCREBKX-AWEZNQCLSA-N -1 3 390.469 0.890 20 0 GCADHM O=C([C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1)N1CCCC1 ZINC000737791968 598713020 /nfs/dbraw/zinc/71/30/20/598713020.db2.gz MZTFZWUIFQFLEK-AWEZNQCLSA-N -1 3 390.469 0.890 20 0 GCADHM O=C([C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1)N1CCCC1 ZINC000737791968 598713022 /nfs/dbraw/zinc/71/30/22/598713022.db2.gz MZTFZWUIFQFLEK-AWEZNQCLSA-N -1 3 390.469 0.890 20 0 GCADHM CC1(C)NC(=O)N(CCOC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736215514 598713187 /nfs/dbraw/zinc/71/31/87/598713187.db2.gz YLFJZSYKHHGPIV-UHFFFAOYSA-N -1 3 390.425 0.832 20 0 GCADHM CC1(C)NC(=O)N(CCOC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736215514 598713189 /nfs/dbraw/zinc/71/31/89/598713189.db2.gz YLFJZSYKHHGPIV-UHFFFAOYSA-N -1 3 390.425 0.832 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000738076363 598715853 /nfs/dbraw/zinc/71/58/53/598715853.db2.gz XRGDAUUQXMLKLO-CQSZACIVSA-N -1 3 399.459 0.470 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000738076363 598715855 /nfs/dbraw/zinc/71/58/55/598715855.db2.gz XRGDAUUQXMLKLO-CQSZACIVSA-N -1 3 399.459 0.470 20 0 GCADHM CC(=O)NCCNC(=O)CCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000735474484 598718117 /nfs/dbraw/zinc/71/81/17/598718117.db2.gz OEOKBAMHUPQKBS-UHFFFAOYSA-N -1 3 399.455 0.390 20 0 GCADHM CC(=O)NCCNC(=O)CCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000735474484 598718119 /nfs/dbraw/zinc/71/81/19/598718119.db2.gz OEOKBAMHUPQKBS-UHFFFAOYSA-N -1 3 399.455 0.390 20 0 GCADHM CCCNC(=O)CCC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736483824 598722852 /nfs/dbraw/zinc/72/28/52/598722852.db2.gz QERRECTUQQBXHE-CQSZACIVSA-N -1 3 386.412 0.822 20 0 GCADHM CCCNC(=O)CCC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736483824 598722853 /nfs/dbraw/zinc/72/28/53/598722853.db2.gz QERRECTUQQBXHE-CQSZACIVSA-N -1 3 386.412 0.822 20 0 GCADHM COc1cccc([C@@H](O)C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737126435 598722891 /nfs/dbraw/zinc/72/28/91/598722891.db2.gz HIGSROIEHINACS-QGZVFWFLSA-N -1 3 397.391 0.768 20 0 GCADHM COc1cccc([C@@H](O)C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737126435 598722892 /nfs/dbraw/zinc/72/28/92/598722892.db2.gz HIGSROIEHINACS-QGZVFWFLSA-N -1 3 397.391 0.768 20 0 GCADHM C[C@H](OC(=O)[C@H]1CNC(=O)N1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736153941 598723030 /nfs/dbraw/zinc/72/30/30/598723030.db2.gz SCRJCLHJOYAJCX-QUBYGPBYSA-N -1 3 379.764 0.072 20 0 GCADHM C[C@H](OC(=O)[C@H]1CNC(=O)N1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736153941 598723031 /nfs/dbraw/zinc/72/30/31/598723031.db2.gz SCRJCLHJOYAJCX-QUBYGPBYSA-N -1 3 379.764 0.072 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737611363 598723332 /nfs/dbraw/zinc/72/33/32/598723332.db2.gz VUUSBXAVVPRRAC-AWEZNQCLSA-N -1 3 383.368 0.328 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737610713 598723503 /nfs/dbraw/zinc/72/35/03/598723503.db2.gz QFTDDMMOGGESDF-CQSZACIVSA-N -1 3 383.368 0.328 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737610713 598723504 /nfs/dbraw/zinc/72/35/04/598723504.db2.gz QFTDDMMOGGESDF-CQSZACIVSA-N -1 3 383.368 0.328 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@H]1CCCC[C@@H]1O ZINC000738032599 598726491 /nfs/dbraw/zinc/72/64/91/598726491.db2.gz OUYVPCPIANVVJI-GJZGRUSLSA-N -1 3 386.460 0.833 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@H]1CCCC[C@@H]1O ZINC000738032599 598726493 /nfs/dbraw/zinc/72/64/93/598726493.db2.gz OUYVPCPIANVVJI-GJZGRUSLSA-N -1 3 386.460 0.833 20 0 GCADHM CCOCCN1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736618158 598730773 /nfs/dbraw/zinc/73/07/73/598730773.db2.gz IGVULNLIFFDREZ-UHFFFAOYSA-N -1 3 389.464 0.037 20 0 GCADHM CCOCCN1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736618158 598730774 /nfs/dbraw/zinc/73/07/74/598730774.db2.gz IGVULNLIFFDREZ-UHFFFAOYSA-N -1 3 389.464 0.037 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CCn1cccn1 ZINC000735903053 598733578 /nfs/dbraw/zinc/73/35/78/598733578.db2.gz DCFVDLNUZCVQJO-UHFFFAOYSA-N -1 3 398.427 0.948 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1ccc(C)nc1 ZINC000737056332 598734118 /nfs/dbraw/zinc/73/41/18/598734118.db2.gz CSFVUPJFBYZUPO-UHFFFAOYSA-N -1 3 381.396 0.876 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1ccc(C)nc1 ZINC000737056332 598734120 /nfs/dbraw/zinc/73/41/20/598734120.db2.gz CSFVUPJFBYZUPO-UHFFFAOYSA-N -1 3 381.396 0.876 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737126928 598734136 /nfs/dbraw/zinc/73/41/36/598734136.db2.gz HKXRBRBXTSCVQN-HNNXBMFYSA-N -1 3 382.380 0.664 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737126928 598734138 /nfs/dbraw/zinc/73/41/38/598734138.db2.gz HKXRBRBXTSCVQN-HNNXBMFYSA-N -1 3 382.380 0.664 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000738152377 598734728 /nfs/dbraw/zinc/73/47/28/598734728.db2.gz RFTJTGXFVYHYGE-CQSZACIVSA-N -1 3 383.412 0.419 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000738152377 598734729 /nfs/dbraw/zinc/73/47/29/598734729.db2.gz RFTJTGXFVYHYGE-CQSZACIVSA-N -1 3 383.412 0.419 20 0 GCADHM NC(=O)COc1cccc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000737754413 598737229 /nfs/dbraw/zinc/73/72/29/598737229.db2.gz UEHXATKIJJGKDG-UHFFFAOYSA-N -1 3 383.368 0.395 20 0 GCADHM NC(=O)COc1cccc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000737754413 598737231 /nfs/dbraw/zinc/73/72/31/598737231.db2.gz UEHXATKIJJGKDG-UHFFFAOYSA-N -1 3 383.368 0.395 20 0 GCADHM O=C(Cc1cccc(F)c1)NCC(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737970307 598737858 /nfs/dbraw/zinc/73/78/58/598737858.db2.gz UKAHJWQZDNELSV-UHFFFAOYSA-N -1 3 399.386 0.715 20 0 GCADHM O=C(Cc1cccc(F)c1)NCC(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737970307 598737859 /nfs/dbraw/zinc/73/78/59/598737859.db2.gz UKAHJWQZDNELSV-UHFFFAOYSA-N -1 3 399.386 0.715 20 0 GCADHM Cc1cc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)nc(-c2ccncc2)n1 ZINC000737279982 598743357 /nfs/dbraw/zinc/74/33/57/598743357.db2.gz IAZDIBFROQJJNO-UHFFFAOYSA-N -1 3 377.416 0.799 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737445721 598743426 /nfs/dbraw/zinc/74/34/26/598743426.db2.gz UBQDPQCWCCPTDX-MRXNPFEDSA-N -1 3 382.428 0.711 20 0 GCADHM O=C(CN1CSCC1=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737883100 598747171 /nfs/dbraw/zinc/74/71/71/598747171.db2.gz DNVIMGIWSHSHOB-UHFFFAOYSA-N -1 3 388.453 0.769 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737790888 598747465 /nfs/dbraw/zinc/74/74/65/598747465.db2.gz HGCZZMNUCVTGKF-CYBMUJFWSA-N -1 3 391.453 0.671 20 0 GCADHM Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CCO2)c1 ZINC000737443978 598749269 /nfs/dbraw/zinc/74/92/69/598749269.db2.gz KJCBHDDSZPPAFD-ZDUSSCGKSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cnn(C[C@H]2CN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CCO2)c1 ZINC000737443978 598749270 /nfs/dbraw/zinc/74/92/70/598749270.db2.gz KJCBHDDSZPPAFD-ZDUSSCGKSA-N -1 3 389.441 0.461 20 0 GCADHM O=C(CCN1CCCS1(=O)=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826407274 607366034 /nfs/dbraw/zinc/36/60/34/607366034.db2.gz HLCCKPFXSRWDBA-UHFFFAOYSA-N -1 3 379.398 0.018 20 0 GCADHM O=C(CCN1CCCS1(=O)=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826407274 607366036 /nfs/dbraw/zinc/36/60/36/607366036.db2.gz HLCCKPFXSRWDBA-UHFFFAOYSA-N -1 3 379.398 0.018 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223189 607366055 /nfs/dbraw/zinc/36/60/55/607366055.db2.gz DNHQXKMRXFTAFN-ZDUSSCGKSA-N -1 3 393.425 0.407 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223189 607366057 /nfs/dbraw/zinc/36/60/57/607366057.db2.gz DNHQXKMRXFTAFN-ZDUSSCGKSA-N -1 3 393.425 0.407 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000736119884 598750449 /nfs/dbraw/zinc/75/04/49/598750449.db2.gz WJJMYCMTNOBCGM-GFCCVEGCSA-N -1 3 395.427 1.000 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000736119884 598750450 /nfs/dbraw/zinc/75/04/50/598750450.db2.gz WJJMYCMTNOBCGM-GFCCVEGCSA-N -1 3 395.427 1.000 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737443201 598750992 /nfs/dbraw/zinc/75/09/92/598750992.db2.gz HQCPDZZIGSXIEQ-OAHLLOKOSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737443201 598750993 /nfs/dbraw/zinc/75/09/93/598750993.db2.gz HQCPDZZIGSXIEQ-OAHLLOKOSA-N -1 3 396.411 0.238 20 0 GCADHM COC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736967897 598751175 /nfs/dbraw/zinc/75/11/75/598751175.db2.gz NKUDAYRCUKTGNA-ZWNOBZJWSA-N -1 3 376.442 0.989 20 0 GCADHM COC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736967897 598751176 /nfs/dbraw/zinc/75/11/76/598751176.db2.gz NKUDAYRCUKTGNA-ZWNOBZJWSA-N -1 3 376.442 0.989 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000738178474 598751272 /nfs/dbraw/zinc/75/12/72/598751272.db2.gz SPZZIEXSHMTGFV-JTQLQIEISA-N -1 3 397.317 0.085 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000738178474 598751274 /nfs/dbraw/zinc/75/12/74/598751274.db2.gz SPZZIEXSHMTGFV-JTQLQIEISA-N -1 3 397.317 0.085 20 0 GCADHM CC[C@]1(C(C)C)NC(=O)N(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736395232 598756128 /nfs/dbraw/zinc/75/61/28/598756128.db2.gz HZQIWNJJIMIISG-GOSISDBHSA-N -1 3 385.428 0.840 20 0 GCADHM CC[C@]1(C(C)C)NC(=O)N(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736395232 598756129 /nfs/dbraw/zinc/75/61/29/598756129.db2.gz HZQIWNJJIMIISG-GOSISDBHSA-N -1 3 385.428 0.840 20 0 GCADHM CC[C@@]1(C(C)C)NC(=O)N(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736397365 598756244 /nfs/dbraw/zinc/75/62/44/598756244.db2.gz SIBZXZPSEAIENP-SFHVURJKSA-N -1 3 385.428 0.840 20 0 GCADHM CC[C@@]1(C(C)C)NC(=O)N(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736397365 598756246 /nfs/dbraw/zinc/75/62/46/598756246.db2.gz SIBZXZPSEAIENP-SFHVURJKSA-N -1 3 385.428 0.840 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736040725 598757123 /nfs/dbraw/zinc/75/71/23/598757123.db2.gz QZWMRTIRLNHLQG-SECBINFHSA-N -1 3 386.865 0.824 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736040725 598757125 /nfs/dbraw/zinc/75/71/25/598757125.db2.gz QZWMRTIRLNHLQG-SECBINFHSA-N -1 3 386.865 0.824 20 0 GCADHM CN(CCNC(=O)NCCNc1ncccc1-c1nnn[n-]1)CC(F)(F)F ZINC000736799677 598759453 /nfs/dbraw/zinc/75/94/53/598759453.db2.gz CVWGLGZSJVGJEE-UHFFFAOYSA-N -1 3 387.370 0.467 20 0 GCADHM CN(CCNC(=O)NCCNc1ncccc1-c1nn[n-]n1)CC(F)(F)F ZINC000736799677 598759455 /nfs/dbraw/zinc/75/94/55/598759455.db2.gz CVWGLGZSJVGJEE-UHFFFAOYSA-N -1 3 387.370 0.467 20 0 GCADHM Cc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c(-c2nnn[n-]2)c1C ZINC000737519683 598761019 /nfs/dbraw/zinc/76/10/19/598761019.db2.gz DGRXPBZCHLNWGW-AWEZNQCLSA-N -1 3 385.476 0.406 20 0 GCADHM Cc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c(-c2nn[n-]n2)c1C ZINC000737519683 598761021 /nfs/dbraw/zinc/76/10/21/598761021.db2.gz DGRXPBZCHLNWGW-AWEZNQCLSA-N -1 3 385.476 0.406 20 0 GCADHM Cc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)c(-c2nnn[n-]2)c1C ZINC000737519684 598761027 /nfs/dbraw/zinc/76/10/27/598761027.db2.gz DGRXPBZCHLNWGW-CQSZACIVSA-N -1 3 385.476 0.406 20 0 GCADHM Cc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)c(-c2nn[n-]n2)c1C ZINC000737519684 598761028 /nfs/dbraw/zinc/76/10/28/598761028.db2.gz DGRXPBZCHLNWGW-CQSZACIVSA-N -1 3 385.476 0.406 20 0 GCADHM CCn1cnnc1[C@H]1CCCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736721973 598763945 /nfs/dbraw/zinc/76/39/45/598763945.db2.gz LNHBHEUFHFDFNQ-INIZCTEOSA-N -1 3 395.471 0.974 20 0 GCADHM O=C(CCN1CCS(=O)(=O)CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737846675 598764499 /nfs/dbraw/zinc/76/44/99/598764499.db2.gz KCXSMHCYVWLNJR-UHFFFAOYSA-N -1 3 384.849 0.579 20 0 GCADHM O=C(CCN1CCS(=O)(=O)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737846675 598764500 /nfs/dbraw/zinc/76/45/00/598764500.db2.gz KCXSMHCYVWLNJR-UHFFFAOYSA-N -1 3 384.849 0.579 20 0 GCADHM O=C(CS(=O)(=O)C1CCCC1)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826420117 607366493 /nfs/dbraw/zinc/36/64/93/607366493.db2.gz YXPPBSUUGHTWBP-UHFFFAOYSA-N -1 3 378.410 0.950 20 0 GCADHM O=C(CS(=O)(=O)C1CCCC1)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826420117 607366495 /nfs/dbraw/zinc/36/64/95/607366495.db2.gz YXPPBSUUGHTWBP-UHFFFAOYSA-N -1 3 378.410 0.950 20 0 GCADHM Cc1nc(CN2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000737478542 598768553 /nfs/dbraw/zinc/76/85/53/598768553.db2.gz TXXPDHUZRKQSBS-UHFFFAOYSA-N -1 3 384.400 0.281 20 0 GCADHM Cc1nc(CN2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000737478542 598768554 /nfs/dbraw/zinc/76/85/54/598768554.db2.gz TXXPDHUZRKQSBS-UHFFFAOYSA-N -1 3 384.400 0.281 20 0 GCADHM NC(=O)CN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)Cc1ccccc1 ZINC000737746716 598775840 /nfs/dbraw/zinc/77/58/40/598775840.db2.gz LAINAYDJPXCPMD-UHFFFAOYSA-N -1 3 379.424 0.470 20 0 GCADHM NC(=O)CN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)Cc1ccccc1 ZINC000737746716 598775841 /nfs/dbraw/zinc/77/58/41/598775841.db2.gz LAINAYDJPXCPMD-UHFFFAOYSA-N -1 3 379.424 0.470 20 0 GCADHM CN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736787065 598776165 /nfs/dbraw/zinc/77/61/65/598776165.db2.gz FEKBMDZMLOWHEJ-LBPRGKRZSA-N -1 3 397.361 0.900 20 0 GCADHM CN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736787065 598776167 /nfs/dbraw/zinc/77/61/67/598776167.db2.gz FEKBMDZMLOWHEJ-LBPRGKRZSA-N -1 3 397.361 0.900 20 0 GCADHM Cc1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1C(N)=O ZINC000737270854 598777925 /nfs/dbraw/zinc/77/79/25/598777925.db2.gz ITRCAJYBOFRCKL-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM Cc1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1C(N)=O ZINC000737270854 598777927 /nfs/dbraw/zinc/77/79/27/598777927.db2.gz ITRCAJYBOFRCKL-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@@H]1Cn1cncn1 ZINC000738078151 598783304 /nfs/dbraw/zinc/78/33/04/598783304.db2.gz NXQWROJOZMSXNC-GFCCVEGCSA-N -1 3 383.420 0.139 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@@H]1Cn1cncn1 ZINC000738078151 598783305 /nfs/dbraw/zinc/78/33/05/598783305.db2.gz NXQWROJOZMSXNC-GFCCVEGCSA-N -1 3 383.420 0.139 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCCN1CCSCC1 ZINC000738078508 598783529 /nfs/dbraw/zinc/78/35/29/598783529.db2.gz QWSGBFFHFYVOSF-UHFFFAOYSA-N -1 3 377.478 0.022 20 0 GCADHM CS(=O)(=O)CCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737161998 598784527 /nfs/dbraw/zinc/78/45/27/598784527.db2.gz GVFGYCRKFODJKI-UHFFFAOYSA-N -1 3 378.458 0.975 20 0 GCADHM CS(=O)(=O)CCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737161998 598784529 /nfs/dbraw/zinc/78/45/29/598784529.db2.gz GVFGYCRKFODJKI-UHFFFAOYSA-N -1 3 378.458 0.975 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)ccc1C(N)=O ZINC000737271108 598785697 /nfs/dbraw/zinc/78/56/97/598785697.db2.gz IYXDTIYZJFYVPB-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)ccc1C(N)=O ZINC000737271108 598785699 /nfs/dbraw/zinc/78/56/99/598785699.db2.gz IYXDTIYZJFYVPB-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM CN(C)C(=O)CNC(=S)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736746039 598788986 /nfs/dbraw/zinc/78/89/86/598788986.db2.gz FMFVFQQOEWOOKI-UHFFFAOYSA-N -1 3 389.485 0.673 20 0 GCADHM CN(C)C(=O)CNC(=S)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736746039 598788988 /nfs/dbraw/zinc/78/89/88/598788988.db2.gz FMFVFQQOEWOOKI-UHFFFAOYSA-N -1 3 389.485 0.673 20 0 GCADHM Cc1cc(N2CC[C@@H](S(N)(=O)=O)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737271397 598789285 /nfs/dbraw/zinc/78/92/85/598789285.db2.gz KVWSUYFOIJGGLI-LLVKDONJSA-N -1 3 398.452 0.843 20 0 GCADHM Cc1cc(N2CC[C@@H](S(N)(=O)=O)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737271397 598789286 /nfs/dbraw/zinc/78/92/86/598789286.db2.gz KVWSUYFOIJGGLI-LLVKDONJSA-N -1 3 398.452 0.843 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000738347268 598795670 /nfs/dbraw/zinc/79/56/70/598795670.db2.gz DZVYXHSHRPOIQB-UHFFFAOYSA-N -1 3 392.485 0.600 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000738347268 598795672 /nfs/dbraw/zinc/79/56/72/598795672.db2.gz DZVYXHSHRPOIQB-UHFFFAOYSA-N -1 3 392.485 0.600 20 0 GCADHM CCN(CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@@H](C)CS(C)(=O)=O ZINC000736534896 598797074 /nfs/dbraw/zinc/79/70/74/598797074.db2.gz OFNBMMQVMMHGAA-LBPRGKRZSA-N -1 3 380.474 0.950 20 0 GCADHM CCN(CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@@H](C)CS(C)(=O)=O ZINC000736534896 598797075 /nfs/dbraw/zinc/79/70/75/598797075.db2.gz OFNBMMQVMMHGAA-LBPRGKRZSA-N -1 3 380.474 0.950 20 0 GCADHM CCN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(C)(=O)=O ZINC000736520757 598797162 /nfs/dbraw/zinc/79/71/62/598797162.db2.gz BZQGGHLBYYKXOM-OCCSQVGLSA-N -1 3 383.474 0.361 20 0 GCADHM CCN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@H](C)CS(C)(=O)=O ZINC000736510800 598797262 /nfs/dbraw/zinc/79/72/62/598797262.db2.gz KUBJZDIITNVKKP-GFCCVEGCSA-N -1 3 380.474 0.238 20 0 GCADHM CCN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(C)(=O)=O ZINC000736510800 598797263 /nfs/dbraw/zinc/79/72/63/598797263.db2.gz KUBJZDIITNVKKP-GFCCVEGCSA-N -1 3 380.474 0.238 20 0 GCADHM CCN(C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)[C@H](C)CS(C)(=O)=O ZINC000736506109 598798313 /nfs/dbraw/zinc/79/83/13/598798313.db2.gz RMFKBDJFXSVRDR-LLVKDONJSA-N -1 3 396.477 0.138 20 0 GCADHM CCN(C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)[C@H](C)CS(C)(=O)=O ZINC000736506109 598798314 /nfs/dbraw/zinc/79/83/14/598798314.db2.gz RMFKBDJFXSVRDR-LLVKDONJSA-N -1 3 396.477 0.138 20 0 GCADHM CS(=O)(=O)CCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737163573 598801147 /nfs/dbraw/zinc/80/11/47/598801147.db2.gz ZMZGQDUAMDAVEB-UHFFFAOYSA-N -1 3 394.457 0.464 20 0 GCADHM CS(=O)(=O)CCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737163573 598801149 /nfs/dbraw/zinc/80/11/49/598801149.db2.gz ZMZGQDUAMDAVEB-UHFFFAOYSA-N -1 3 394.457 0.464 20 0 GCADHM O=C(NCCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC000738074100 598801211 /nfs/dbraw/zinc/80/12/11/598801211.db2.gz GAEMMDHTVKYEET-UHFFFAOYSA-N -1 3 399.455 0.946 20 0 GCADHM O=C(NCCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC000738074100 598801212 /nfs/dbraw/zinc/80/12/12/598801212.db2.gz GAEMMDHTVKYEET-UHFFFAOYSA-N -1 3 399.455 0.946 20 0 GCADHM CC(C)(C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC000735574030 598804983 /nfs/dbraw/zinc/80/49/83/598804983.db2.gz FPQLMGJZTWTBMJ-UHFFFAOYSA-N -1 3 393.473 0.170 20 0 GCADHM CC(C)(C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC000735574030 598804985 /nfs/dbraw/zinc/80/49/85/598804985.db2.gz FPQLMGJZTWTBMJ-UHFFFAOYSA-N -1 3 393.473 0.170 20 0 GCADHM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3nnn[n-]3)cn1)C2=O ZINC000736261628 598805635 /nfs/dbraw/zinc/80/56/35/598805635.db2.gz LCYJWEFYJWCBSE-QGHHPUGFSA-N -1 3 384.400 0.701 20 0 GCADHM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc(-c3nn[n-]n3)cn1)C2=O ZINC000736261628 598805636 /nfs/dbraw/zinc/80/56/36/598805636.db2.gz LCYJWEFYJWCBSE-QGHHPUGFSA-N -1 3 384.400 0.701 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC(CS(N)(=O)=O)CC1 ZINC000735562668 598809401 /nfs/dbraw/zinc/80/94/01/598809401.db2.gz PQYAMDFMIJYVCV-LLVKDONJSA-N -1 3 393.473 0.194 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC(CS(N)(=O)=O)CC1 ZINC000735562668 598809402 /nfs/dbraw/zinc/80/94/02/598809402.db2.gz PQYAMDFMIJYVCV-LLVKDONJSA-N -1 3 393.473 0.194 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735748891 598809502 /nfs/dbraw/zinc/80/95/02/598809502.db2.gz YSNDOYCHYITEEZ-AWEZNQCLSA-N -1 3 377.836 0.915 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735748891 598809503 /nfs/dbraw/zinc/80/95/03/598809503.db2.gz YSNDOYCHYITEEZ-AWEZNQCLSA-N -1 3 377.836 0.915 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736656205 598809695 /nfs/dbraw/zinc/80/96/95/598809695.db2.gz HMLFXRQZSIZGRT-RYUDHWBXSA-N -1 3 381.458 0.916 20 0 GCADHM O=c1cc(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)[nH]c2ccnn21 ZINC000738380650 598813800 /nfs/dbraw/zinc/81/38/00/598813800.db2.gz QTIFVFHCNBJMCO-UHFFFAOYSA-N -1 3 395.402 0.664 20 0 GCADHM NC(=O)c1ccc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cc1 ZINC000737758830 598815063 /nfs/dbraw/zinc/81/50/63/598815063.db2.gz FEQRUOQWFKUPLW-UHFFFAOYSA-N -1 3 389.379 0.986 20 0 GCADHM NC(=O)c1ccc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cc1 ZINC000737758830 598815064 /nfs/dbraw/zinc/81/50/64/598815064.db2.gz FEQRUOQWFKUPLW-UHFFFAOYSA-N -1 3 389.379 0.986 20 0 GCADHM c1cc(N2CCCC2)nc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000738413706 598815714 /nfs/dbraw/zinc/81/57/14/598815714.db2.gz VWIGNJVGYOQOHA-UHFFFAOYSA-N -1 3 378.444 0.979 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCC1 ZINC000738018924 598816297 /nfs/dbraw/zinc/81/62/97/598816297.db2.gz FSJJMSXXEVEASC-UHFFFAOYSA-N -1 3 396.455 0.359 20 0 GCADHM O=C(NC1CC1)C1(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCC1 ZINC000738018924 598816300 /nfs/dbraw/zinc/81/63/00/598816300.db2.gz FSJJMSXXEVEASC-UHFFFAOYSA-N -1 3 396.455 0.359 20 0 GCADHM Cn1nnc2cc(C(=O)N3CCN(c4ncccc4-c4nnn[n-]4)CC3)ccc21 ZINC000737626943 598816405 /nfs/dbraw/zinc/81/64/05/598816405.db2.gz GRUTZGNEJQZHLV-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM Cn1nnc2cc(C(=O)N3CCN(c4ncccc4-c4nn[n-]n4)CC3)ccc21 ZINC000737626943 598816407 /nfs/dbraw/zinc/81/64/07/598816407.db2.gz GRUTZGNEJQZHLV-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM CC[C@H](C)[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)C(=O)OC ZINC000736667964 598818971 /nfs/dbraw/zinc/81/89/71/598818971.db2.gz SOLWWBDWEGXBLB-BONVTDFDSA-N -1 3 377.401 0.958 20 0 GCADHM CC[C@H](C)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C(=O)OC ZINC000736667964 598818973 /nfs/dbraw/zinc/81/89/73/598818973.db2.gz SOLWWBDWEGXBLB-BONVTDFDSA-N -1 3 377.401 0.958 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCN(C(N)=O)CC1 ZINC000735735738 598819222 /nfs/dbraw/zinc/81/92/22/598819222.db2.gz UWFLIEGQKPKDOP-HNNXBMFYSA-N -1 3 387.444 0.883 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCN(C(N)=O)CC1 ZINC000735735738 598819223 /nfs/dbraw/zinc/81/92/23/598819223.db2.gz UWFLIEGQKPKDOP-HNNXBMFYSA-N -1 3 387.444 0.883 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736657859 598820294 /nfs/dbraw/zinc/82/02/94/598820294.db2.gz YLMXMSSOBVISBD-GFCCVEGCSA-N -1 3 380.474 0.950 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736657859 598820295 /nfs/dbraw/zinc/82/02/95/598820295.db2.gz YLMXMSSOBVISBD-GFCCVEGCSA-N -1 3 380.474 0.950 20 0 GCADHM NC(=O)N1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737758977 598820690 /nfs/dbraw/zinc/82/06/90/598820690.db2.gz RATBFSIZASMRLR-OAHLLOKOSA-N -1 3 384.444 0.449 20 0 GCADHM Cc1sc(=O)n(CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)c1C ZINC000737565331 599292786 /nfs/dbraw/zinc/29/27/86/599292786.db2.gz YFGYGZHIRFUMAB-UHFFFAOYSA-N -1 3 378.443 0.648 20 0 GCADHM Cc1sc(=O)n(CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)c1C ZINC000737565331 599292787 /nfs/dbraw/zinc/29/27/87/599292787.db2.gz YFGYGZHIRFUMAB-UHFFFAOYSA-N -1 3 378.443 0.648 20 0 GCADHM Cn1nccc1[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000737629492 599294968 /nfs/dbraw/zinc/29/49/68/599294968.db2.gz WGWDMOGDUQZMHQ-NSHDSACASA-N -1 3 388.457 0.632 20 0 GCADHM Cn1nccc1[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000737629492 599294969 /nfs/dbraw/zinc/29/49/69/599294969.db2.gz WGWDMOGDUQZMHQ-NSHDSACASA-N -1 3 388.457 0.632 20 0 GCADHM CCc1nc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000736698388 599296028 /nfs/dbraw/zinc/29/60/28/599296028.db2.gz DPANASLRTJPUDN-ZDUSSCGKSA-N -1 3 396.411 0.906 20 0 GCADHM CCc1nc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000736698388 599296030 /nfs/dbraw/zinc/29/60/30/599296030.db2.gz DPANASLRTJPUDN-ZDUSSCGKSA-N -1 3 396.411 0.906 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000736171610 599296073 /nfs/dbraw/zinc/29/60/73/599296073.db2.gz XIAYSCQZVHWMEJ-GRDNDAEWSA-N -1 3 386.456 0.813 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000738100073 599296866 /nfs/dbraw/zinc/29/68/66/599296866.db2.gz KYTKRFXHTUWKNT-AWEZNQCLSA-N -1 3 375.408 0.622 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000738100073 599296867 /nfs/dbraw/zinc/29/68/67/599296867.db2.gz KYTKRFXHTUWKNT-AWEZNQCLSA-N -1 3 375.408 0.622 20 0 GCADHM CN(CC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2)C(=O)OC(C)(C)C ZINC000736788899 599296876 /nfs/dbraw/zinc/29/68/76/599296876.db2.gz ZITXRNBJBJFGHA-UHFFFAOYSA-N -1 3 380.434 0.974 20 0 GCADHM CN(CC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2)C(=O)OC(C)(C)C ZINC000736788899 599296877 /nfs/dbraw/zinc/29/68/77/599296877.db2.gz ZITXRNBJBJFGHA-UHFFFAOYSA-N -1 3 380.434 0.974 20 0 GCADHM NC(=O)COc1cccc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)c1 ZINC000737753200 599296954 /nfs/dbraw/zinc/29/69/54/599296954.db2.gz NVNGDBCAWNNHAR-UHFFFAOYSA-N -1 3 386.397 0.285 20 0 GCADHM NC(=O)COc1cccc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)c1 ZINC000737753200 599296956 /nfs/dbraw/zinc/29/69/56/599296956.db2.gz NVNGDBCAWNNHAR-UHFFFAOYSA-N -1 3 386.397 0.285 20 0 GCADHM CN(CC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2)C(=O)c1cccs1 ZINC000736788872 599298998 /nfs/dbraw/zinc/29/89/98/599298998.db2.gz YTXAVSLHTCAWMR-UHFFFAOYSA-N -1 3 390.454 0.941 20 0 GCADHM CN(CC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2)C(=O)c1cccs1 ZINC000736788872 599299001 /nfs/dbraw/zinc/29/90/01/599299001.db2.gz YTXAVSLHTCAWMR-UHFFFAOYSA-N -1 3 390.454 0.941 20 0 GCADHM CC[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000736408896 599299296 /nfs/dbraw/zinc/29/92/96/599299296.db2.gz KSOZPJMKIQEZBX-PBHICJAKSA-N -1 3 386.456 0.815 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738328878 599303731 /nfs/dbraw/zinc/30/37/31/599303731.db2.gz GZQBWGMFQGQQFS-OAHLLOKOSA-N -1 3 378.458 0.103 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738328878 599303734 /nfs/dbraw/zinc/30/37/34/599303734.db2.gz GZQBWGMFQGQQFS-OAHLLOKOSA-N -1 3 378.458 0.103 20 0 GCADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000736198254 599308762 /nfs/dbraw/zinc/30/87/62/599308762.db2.gz RPACFIBRMIFFCM-AWEZNQCLSA-N -1 3 383.456 0.694 20 0 GCADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000736198254 599308765 /nfs/dbraw/zinc/30/87/65/599308765.db2.gz RPACFIBRMIFFCM-AWEZNQCLSA-N -1 3 383.456 0.694 20 0 GCADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000736199709 599309778 /nfs/dbraw/zinc/30/97/78/599309778.db2.gz YAZWQBPOGICJDR-HNNXBMFYSA-N -1 3 385.472 0.404 20 0 GCADHM CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736506439 599311728 /nfs/dbraw/zinc/31/17/28/599311728.db2.gz YJCXFYAEZVTODF-UHFFFAOYSA-N -1 3 379.384 0.363 20 0 GCADHM CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736506439 599311731 /nfs/dbraw/zinc/31/17/31/599311731.db2.gz YJCXFYAEZVTODF-UHFFFAOYSA-N -1 3 379.384 0.363 20 0 GCADHM CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735893641 599315677 /nfs/dbraw/zinc/31/56/77/599315677.db2.gz ZEDWVJPABWNAQJ-LLVKDONJSA-N -1 3 398.427 0.952 20 0 GCADHM CC(C)OC(=O)[C@H](C)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735893641 599315680 /nfs/dbraw/zinc/31/56/80/599315680.db2.gz ZEDWVJPABWNAQJ-LLVKDONJSA-N -1 3 398.427 0.952 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000737755196 599316687 /nfs/dbraw/zinc/31/66/87/599316687.db2.gz KVJIUXDQDOMGOD-LBPRGKRZSA-N -1 3 395.427 0.507 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)n[nH]1 ZINC000737756081 599316932 /nfs/dbraw/zinc/31/69/32/599316932.db2.gz RWEUNRXEEKPQFQ-LBPRGKRZSA-N -1 3 395.427 0.507 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)n[nH]1 ZINC000737756078 599316997 /nfs/dbraw/zinc/31/69/97/599316997.db2.gz RWEUNRXEEKPQFQ-GFCCVEGCSA-N -1 3 395.427 0.507 20 0 GCADHM CCN1CCO[C@H](C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)C1 ZINC000736569867 599318996 /nfs/dbraw/zinc/31/89/96/599318996.db2.gz UYDIIVPMAWTQGL-HNNXBMFYSA-N -1 3 389.435 0.375 20 0 GCADHM CCN1CCO[C@H](C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1 ZINC000736569867 599318999 /nfs/dbraw/zinc/31/89/99/599318999.db2.gz UYDIIVPMAWTQGL-HNNXBMFYSA-N -1 3 389.435 0.375 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000277337431 599319157 /nfs/dbraw/zinc/31/91/57/599319157.db2.gz WASLKFDZVFXDKV-ZIAGYGMSSA-N -1 3 388.428 0.853 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000277337431 599319160 /nfs/dbraw/zinc/31/91/60/599319160.db2.gz WASLKFDZVFXDKV-ZIAGYGMSSA-N -1 3 388.428 0.853 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000369937825 599319416 /nfs/dbraw/zinc/31/94/16/599319416.db2.gz WASLKFDZVFXDKV-KGLIPLIRSA-N -1 3 388.428 0.853 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000369937825 599319419 /nfs/dbraw/zinc/31/94/19/599319419.db2.gz WASLKFDZVFXDKV-KGLIPLIRSA-N -1 3 388.428 0.853 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820445827 599324532 /nfs/dbraw/zinc/32/45/32/599324532.db2.gz RESYEBIDKLHFHR-LLVKDONJSA-N -1 3 397.424 0.882 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-n2cnnn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820445827 599324533 /nfs/dbraw/zinc/32/45/33/599324533.db2.gz RESYEBIDKLHFHR-LLVKDONJSA-N -1 3 397.424 0.882 20 0 GCADHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821325711 599325452 /nfs/dbraw/zinc/32/54/52/599325452.db2.gz KNTSCFGXZMJIOX-BXUZGUMPSA-N -1 3 394.457 0.790 20 0 GCADHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821325711 599325453 /nfs/dbraw/zinc/32/54/53/599325453.db2.gz KNTSCFGXZMJIOX-BXUZGUMPSA-N -1 3 394.457 0.790 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821325712 599325467 /nfs/dbraw/zinc/32/54/67/599325467.db2.gz KNTSCFGXZMJIOX-FZMZJTMJSA-N -1 3 394.457 0.790 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821325712 599325468 /nfs/dbraw/zinc/32/54/68/599325468.db2.gz KNTSCFGXZMJIOX-FZMZJTMJSA-N -1 3 394.457 0.790 20 0 GCADHM COC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736940617 599332979 /nfs/dbraw/zinc/33/29/79/599332979.db2.gz MXBHZEHYEYDEFF-GXTWGEPZSA-N -1 3 384.396 0.384 20 0 GCADHM COC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736940617 599332984 /nfs/dbraw/zinc/33/29/84/599332984.db2.gz MXBHZEHYEYDEFF-GXTWGEPZSA-N -1 3 384.396 0.384 20 0 GCADHM Cn1nnnc1-c1cccc(S(=O)(=O)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737626776 599334275 /nfs/dbraw/zinc/33/42/75/599334275.db2.gz KZXZCGUYONIORM-UHFFFAOYSA-N -1 3 384.381 0.825 20 0 GCADHM Cn1nnnc1-c1cccc(S(=O)(=O)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737626776 599334277 /nfs/dbraw/zinc/33/42/77/599334277.db2.gz KZXZCGUYONIORM-UHFFFAOYSA-N -1 3 384.381 0.825 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c[nH]1 ZINC000821668058 599338503 /nfs/dbraw/zinc/33/85/03/599338503.db2.gz MYMLZJANFZICSN-UHFFFAOYSA-N -1 3 376.398 0.802 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c[nH]1 ZINC000821668058 599338505 /nfs/dbraw/zinc/33/85/05/599338505.db2.gz MYMLZJANFZICSN-UHFFFAOYSA-N -1 3 376.398 0.802 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)Cc1ccon1 ZINC000821690533 599340506 /nfs/dbraw/zinc/34/05/06/599340506.db2.gz PCHOCHUQJPTDIK-UHFFFAOYSA-N -1 3 378.414 0.833 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)Cc1ccon1 ZINC000821690533 599340507 /nfs/dbraw/zinc/34/05/07/599340507.db2.gz PCHOCHUQJPTDIK-UHFFFAOYSA-N -1 3 378.414 0.833 20 0 GCADHM CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821605138 599341856 /nfs/dbraw/zinc/34/18/56/599341856.db2.gz WUECMNUJRUMEKF-UHFFFAOYSA-N -1 3 379.851 0.185 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC000821554983 599342249 /nfs/dbraw/zinc/34/22/49/599342249.db2.gz XFGYODBCFFSTKG-UHFFFAOYSA-N -1 3 394.848 0.879 20 0 GCADHM COC(=O)[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)C(C)(C)C ZINC000736894693 599344331 /nfs/dbraw/zinc/34/43/31/599344331.db2.gz GXFAEKOKIKNMBY-CQSZACIVSA-N -1 3 377.401 0.958 20 0 GCADHM COC(=O)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)C(C)(C)C ZINC000736894693 599344333 /nfs/dbraw/zinc/34/43/33/599344333.db2.gz GXFAEKOKIKNMBY-CQSZACIVSA-N -1 3 377.401 0.958 20 0 GCADHM CN(CCN1CCCC1=O)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821601513 599345983 /nfs/dbraw/zinc/34/59/83/599345983.db2.gz LFECEKTWSAFYOW-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM CN([C@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821592450 599350217 /nfs/dbraw/zinc/35/02/17/599350217.db2.gz GYBIAVLUIBREDH-KBPBESRZSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@H]1CCCC[C@@H]1S(C)(=O)=O)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821592450 599350219 /nfs/dbraw/zinc/35/02/19/599350219.db2.gz GYBIAVLUIBREDH-KBPBESRZSA-N -1 3 399.498 0.843 20 0 GCADHM CC[C@H](O)CN1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000736382648 599357360 /nfs/dbraw/zinc/35/73/60/599357360.db2.gz NBVBHYPAGHVPFJ-ZDUSSCGKSA-N -1 3 377.449 0.404 20 0 GCADHM CC[C@@H](O)CN1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000736383456 599357847 /nfs/dbraw/zinc/35/78/47/599357847.db2.gz RUXGHKUARZRLFA-GXTWGEPZSA-N -1 3 391.476 0.792 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823600888 599359715 /nfs/dbraw/zinc/35/97/15/599359715.db2.gz LRDSHOGGSQPFJN-LBPRGKRZSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823600888 599359717 /nfs/dbraw/zinc/35/97/17/599359717.db2.gz LRDSHOGGSQPFJN-LBPRGKRZSA-N -1 3 396.448 0.349 20 0 GCADHM C[C@@H](O)CNC(=O)c1cccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736149647 599362644 /nfs/dbraw/zinc/36/26/44/599362644.db2.gz VPQJOOUCMVCXBK-GFCCVEGCSA-N -1 3 396.407 0.995 20 0 GCADHM C[C@@H](O)CNC(=O)c1cccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736149647 599362646 /nfs/dbraw/zinc/36/26/46/599362646.db2.gz VPQJOOUCMVCXBK-GFCCVEGCSA-N -1 3 396.407 0.995 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735624299 599362822 /nfs/dbraw/zinc/36/28/22/599362822.db2.gz RCVKKDOITWICRA-UHFFFAOYSA-N -1 3 394.457 0.905 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735624299 599362824 /nfs/dbraw/zinc/36/28/24/599362824.db2.gz RCVKKDOITWICRA-UHFFFAOYSA-N -1 3 394.457 0.905 20 0 GCADHM CC(C)N1C(=O)CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1(C)C ZINC000820128646 599368962 /nfs/dbraw/zinc/36/89/62/599368962.db2.gz SFPIZAVLZSHOMH-UHFFFAOYSA-N -1 3 378.458 0.887 20 0 GCADHM CC(C)N1C(=O)CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1(C)C ZINC000820128646 599368964 /nfs/dbraw/zinc/36/89/64/599368964.db2.gz SFPIZAVLZSHOMH-UHFFFAOYSA-N -1 3 378.458 0.887 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825034957 607371497 /nfs/dbraw/zinc/37/14/97/607371497.db2.gz UYKHTMREQZQDHN-LBPRGKRZSA-N -1 3 375.410 0.904 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825034957 607371499 /nfs/dbraw/zinc/37/14/99/607371499.db2.gz UYKHTMREQZQDHN-LBPRGKRZSA-N -1 3 375.410 0.904 20 0 GCADHM O=C1NCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]1c1cccs1 ZINC000823548533 599373092 /nfs/dbraw/zinc/37/30/92/599373092.db2.gz YMOQVMGKOZSQNY-ZDUSSCGKSA-N -1 3 390.450 0.790 20 0 GCADHM O=C1NCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]1c1cccs1 ZINC000823548533 599373094 /nfs/dbraw/zinc/37/30/94/599373094.db2.gz YMOQVMGKOZSQNY-ZDUSSCGKSA-N -1 3 390.450 0.790 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000822153081 599374982 /nfs/dbraw/zinc/37/49/82/599374982.db2.gz KYDZJYPLKHULMH-BIMULSAOSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000822153081 599374985 /nfs/dbraw/zinc/37/49/85/599374985.db2.gz KYDZJYPLKHULMH-BIMULSAOSA-N -1 3 376.442 0.463 20 0 GCADHM NC(=CC(=O)N1CCCCC1)NOCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822890021 599387017 /nfs/dbraw/zinc/38/70/17/599387017.db2.gz KRQPIOFNBIISRQ-UHFFFAOYSA-N -1 3 386.416 0.706 20 0 GCADHM NC(=CC(=O)N1CCCCC1)NOCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822890021 599387020 /nfs/dbraw/zinc/38/70/20/599387020.db2.gz KRQPIOFNBIISRQ-UHFFFAOYSA-N -1 3 386.416 0.706 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000738261228 599388238 /nfs/dbraw/zinc/38/82/38/599388238.db2.gz KXCMJUUIECVJJM-UHFFFAOYSA-N -1 3 395.427 0.870 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000738261228 599388241 /nfs/dbraw/zinc/38/82/41/599388241.db2.gz KXCMJUUIECVJJM-UHFFFAOYSA-N -1 3 395.427 0.870 20 0 GCADHM C[C@@H]1[C@H](C)N(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736231462 599390882 /nfs/dbraw/zinc/39/08/82/599390882.db2.gz XCWGOWRACJROSN-WDEREUQCSA-N -1 3 381.483 0.993 20 0 GCADHM C[C@@H]1[C@H](C)N(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736231462 599390886 /nfs/dbraw/zinc/39/08/86/599390886.db2.gz XCWGOWRACJROSN-WDEREUQCSA-N -1 3 381.483 0.993 20 0 GCADHM Cc1cc([C@](C)(O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000822191712 599402879 /nfs/dbraw/zinc/40/28/79/599402879.db2.gz OXALVKCRPJPXTG-LJQANCHMSA-N -1 3 398.423 0.830 20 0 GCADHM Cc1cc([C@](C)(O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000822191712 599402882 /nfs/dbraw/zinc/40/28/82/599402882.db2.gz OXALVKCRPJPXTG-LJQANCHMSA-N -1 3 398.423 0.830 20 0 GCADHM CNC(=O)CN1CCC(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821632901 599407372 /nfs/dbraw/zinc/40/73/72/599407372.db2.gz NTUUEGNRSOHNOM-GFCCVEGCSA-N -1 3 386.460 0.437 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820658623 599417712 /nfs/dbraw/zinc/41/77/12/599417712.db2.gz UKFHJVJYGJRCPH-IAQYHMDHSA-N -1 3 395.427 0.593 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820658623 599417715 /nfs/dbraw/zinc/41/77/15/599417715.db2.gz UKFHJVJYGJRCPH-IAQYHMDHSA-N -1 3 395.427 0.593 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821441395 599420538 /nfs/dbraw/zinc/42/05/38/599420538.db2.gz LEPBMQGUGZGZIL-LBPRGKRZSA-N -1 3 395.489 0.899 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821441395 599420541 /nfs/dbraw/zinc/42/05/41/599420541.db2.gz LEPBMQGUGZGZIL-LBPRGKRZSA-N -1 3 395.489 0.899 20 0 GCADHM O=C(CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)NCC(F)(F)F ZINC000823000965 599423028 /nfs/dbraw/zinc/42/30/28/599423028.db2.gz FZDYWMKHDWYKBL-UHFFFAOYSA-N -1 3 387.322 0.223 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824677938 607376711 /nfs/dbraw/zinc/37/67/11/607376711.db2.gz JKNWMWYQBOXIPL-QMTHXVAHSA-N -1 3 389.412 0.504 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824677938 607376712 /nfs/dbraw/zinc/37/67/12/607376712.db2.gz JKNWMWYQBOXIPL-QMTHXVAHSA-N -1 3 389.412 0.504 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824677494 607376721 /nfs/dbraw/zinc/37/67/21/607376721.db2.gz FQVUCLWGPRSFNI-HZMBPMFUSA-N -1 3 389.412 0.504 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824677494 607376723 /nfs/dbraw/zinc/37/67/23/607376723.db2.gz FQVUCLWGPRSFNI-HZMBPMFUSA-N -1 3 389.412 0.504 20 0 GCADHM O=c1cc(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)nc2sccn21 ZINC000823666000 599427412 /nfs/dbraw/zinc/42/74/12/599427412.db2.gz ZXJOBXDCSDBYKL-UHFFFAOYSA-N -1 3 395.452 0.653 20 0 GCADHM O=c1cc(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)nc2sccn21 ZINC000823666000 599427416 /nfs/dbraw/zinc/42/74/16/599427416.db2.gz ZXJOBXDCSDBYKL-UHFFFAOYSA-N -1 3 395.452 0.653 20 0 GCADHM O=C(COC(=O)c1cn(Cc2ccccn2)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416568 607377498 /nfs/dbraw/zinc/37/74/98/607377498.db2.gz FZFXRAHGLXUAHS-UHFFFAOYSA-N -1 3 390.363 0.941 20 0 GCADHM O=C(COC(=O)c1cn(Cc2ccccn2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416568 607377500 /nfs/dbraw/zinc/37/75/00/607377500.db2.gz FZFXRAHGLXUAHS-UHFFFAOYSA-N -1 3 390.363 0.941 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1Cn1cc(S(=O)(=O)N(C)C)ccc1=O ZINC000821752410 607377717 /nfs/dbraw/zinc/37/77/17/607377717.db2.gz MGZZLIGDUKSFFJ-UHFFFAOYSA-N -1 3 390.425 0.336 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1Cn1cc(S(=O)(=O)N(C)C)ccc1=O ZINC000821752410 607377719 /nfs/dbraw/zinc/37/77/19/607377719.db2.gz MGZZLIGDUKSFFJ-UHFFFAOYSA-N -1 3 390.425 0.336 20 0 GCADHM COC(=O)Cn1ncc2c1ncn(Cc1cc(-c3nn[n-]n3)ccc1OC)c2=O ZINC000821663764 607378356 /nfs/dbraw/zinc/37/83/56/607378356.db2.gz NGWSADFNCLIGIH-UHFFFAOYSA-N -1 3 396.367 0.003 20 0 GCADHM O=C(NCCCN1C(=O)CCC1=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823187974 599436990 /nfs/dbraw/zinc/43/69/90/599436990.db2.gz RGKLQNCSXLLFAJ-UHFFFAOYSA-N -1 3 375.364 0.344 20 0 GCADHM O=C(NCCCN1C(=O)CCC1=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823187974 599436992 /nfs/dbraw/zinc/43/69/92/599436992.db2.gz RGKLQNCSXLLFAJ-UHFFFAOYSA-N -1 3 375.364 0.344 20 0 GCADHM O=S(=O)(C1CCOCC1)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738318346 599443773 /nfs/dbraw/zinc/44/37/73/599443773.db2.gz PXZLLMHAFYJDHD-UHFFFAOYSA-N -1 3 393.473 0.647 20 0 GCADHM O=S(=O)(C1CCOCC1)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738318346 599443779 /nfs/dbraw/zinc/44/37/79/599443779.db2.gz PXZLLMHAFYJDHD-UHFFFAOYSA-N -1 3 393.473 0.647 20 0 GCADHM CCN1CCO[C@@H](CNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821275525 599444293 /nfs/dbraw/zinc/44/42/93/599444293.db2.gz ATBPAZNJXKGLBN-HNNXBMFYSA-N -1 3 375.433 0.265 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(C)C(C)(C)CO ZINC000736987288 599444487 /nfs/dbraw/zinc/44/44/87/599444487.db2.gz FAUZEPHTGNASEQ-UHFFFAOYSA-N -1 3 393.492 0.963 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821441003 599452252 /nfs/dbraw/zinc/45/22/52/599452252.db2.gz GVVQGUOFRHWMJL-LBPRGKRZSA-N -1 3 396.473 0.710 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cccnn2)CC1 ZINC000823211060 599455006 /nfs/dbraw/zinc/45/50/06/599455006.db2.gz LLYQEKDQUVRXMW-UHFFFAOYSA-N -1 3 395.427 0.567 20 0 GCADHM CC1(C)[C@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCCO[C@H]21 ZINC000820583954 599455367 /nfs/dbraw/zinc/45/53/67/599455367.db2.gz GTCLFDLMDYALCF-NUEKZKHPSA-N -1 3 384.440 0.916 20 0 GCADHM CC1(C)[C@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]2CCCO[C@H]21 ZINC000820583954 599455370 /nfs/dbraw/zinc/45/53/70/599455370.db2.gz GTCLFDLMDYALCF-NUEKZKHPSA-N -1 3 384.440 0.916 20 0 GCADHM CC1(C)[C@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]2CCCO[C@H]21 ZINC000820583945 599455489 /nfs/dbraw/zinc/45/54/89/599455489.db2.gz GTCLFDLMDYALCF-FVQBIDKESA-N -1 3 384.440 0.916 20 0 GCADHM CC1(C)[C@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]2CCCO[C@H]21 ZINC000820583945 599455490 /nfs/dbraw/zinc/45/54/90/599455490.db2.gz GTCLFDLMDYALCF-FVQBIDKESA-N -1 3 384.440 0.916 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819883712 599462417 /nfs/dbraw/zinc/46/24/17/599462417.db2.gz LDCGDULSASGNIE-NXEZZACHSA-N -1 3 384.437 0.969 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819883712 599462419 /nfs/dbraw/zinc/46/24/19/599462419.db2.gz LDCGDULSASGNIE-NXEZZACHSA-N -1 3 384.437 0.969 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1nnnn1C1CC1 ZINC000821689725 599468763 /nfs/dbraw/zinc/46/87/63/599468763.db2.gz KCUKVEMHHAJRHQ-UHFFFAOYSA-N -1 3 398.431 0.546 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1nnnn1C1CC1 ZINC000821689725 599468766 /nfs/dbraw/zinc/46/87/66/599468766.db2.gz KCUKVEMHHAJRHQ-UHFFFAOYSA-N -1 3 398.431 0.546 20 0 GCADHM O=C(CNC(=O)c1cccc(F)c1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823005280 599469440 /nfs/dbraw/zinc/46/94/40/599469440.db2.gz KCOQZYAGFIGYSC-UHFFFAOYSA-N -1 3 384.371 0.931 20 0 GCADHM COc1ccccc1[C@@H](O)CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000821882526 599474499 /nfs/dbraw/zinc/47/44/99/599474499.db2.gz DACBSVNWKFBUIC-AWEZNQCLSA-N -1 3 390.425 0.668 20 0 GCADHM COc1ccccc1[C@@H](O)CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000821882526 599474501 /nfs/dbraw/zinc/47/45/01/599474501.db2.gz DACBSVNWKFBUIC-AWEZNQCLSA-N -1 3 390.425 0.668 20 0 GCADHM CCc1c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)[nH]c(C)c1C(N)=O ZINC000825687998 607381062 /nfs/dbraw/zinc/38/10/62/607381062.db2.gz PRMGTJYRSHYZGJ-AWEZNQCLSA-N -1 3 397.395 0.548 20 0 GCADHM CCc1c(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(N)=O ZINC000825687998 607381064 /nfs/dbraw/zinc/38/10/64/607381064.db2.gz PRMGTJYRSHYZGJ-AWEZNQCLSA-N -1 3 397.395 0.548 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2ccc(-n3cncn3)nc2)c(-c2nnn[n-]2)c1 ZINC000822899734 599478866 /nfs/dbraw/zinc/47/88/66/599478866.db2.gz QWQBFROVGCCQOL-UHFFFAOYSA-N -1 3 398.412 0.102 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2ccc(-n3cncn3)nc2)c(-c2nn[n-]n2)c1 ZINC000822899734 599478868 /nfs/dbraw/zinc/47/88/68/599478868.db2.gz QWQBFROVGCCQOL-UHFFFAOYSA-N -1 3 398.412 0.102 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000826250963 607381211 /nfs/dbraw/zinc/38/12/11/607381211.db2.gz AVQHSJIUJZCLPR-UHFFFAOYSA-N -1 3 398.423 0.413 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000826250963 607381213 /nfs/dbraw/zinc/38/12/13/607381213.db2.gz AVQHSJIUJZCLPR-UHFFFAOYSA-N -1 3 398.423 0.413 20 0 GCADHM NS(=O)(=O)c1ccc(NCCC(=O)N2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000822899831 599483280 /nfs/dbraw/zinc/48/32/80/599483280.db2.gz VEWFNEABVMWAMP-UHFFFAOYSA-N -1 3 379.446 0.329 20 0 GCADHM NS(=O)(=O)c1ccc(NCCC(=O)N2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000822899831 599483283 /nfs/dbraw/zinc/48/32/83/599483283.db2.gz VEWFNEABVMWAMP-UHFFFAOYSA-N -1 3 379.446 0.329 20 0 GCADHM Cn1cc(CC(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)cn1 ZINC000822674684 599491026 /nfs/dbraw/zinc/49/10/26/599491026.db2.gz ZNFWFAUPBHUGQJ-UHFFFAOYSA-N -1 3 382.428 0.743 20 0 GCADHM Cn1cc(CC(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)cn1 ZINC000822674684 599491027 /nfs/dbraw/zinc/49/10/27/599491027.db2.gz ZNFWFAUPBHUGQJ-UHFFFAOYSA-N -1 3 382.428 0.743 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736222045 599492156 /nfs/dbraw/zinc/49/21/56/599492156.db2.gz AEZLRFDOZROFOA-KDHKCVMQSA-N -1 3 378.462 0.225 20 0 GCADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736222045 599492158 /nfs/dbraw/zinc/49/21/58/599492158.db2.gz AEZLRFDOZROFOA-KDHKCVMQSA-N -1 3 378.462 0.225 20 0 GCADHM COC[C@](C)(O)CNC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000821681679 599497406 /nfs/dbraw/zinc/49/74/06/599497406.db2.gz PRPIPJMQQUYVOM-QGZVFWFLSA-N -1 3 379.417 0.548 20 0 GCADHM COC[C@](C)(O)CNC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000821681679 599497409 /nfs/dbraw/zinc/49/74/09/599497409.db2.gz PRPIPJMQQUYVOM-QGZVFWFLSA-N -1 3 379.417 0.548 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cccc(-n2cccn2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737745995 599499493 /nfs/dbraw/zinc/49/94/93/599499493.db2.gz YNLXXOICFWJASN-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cccc(-n2cccn2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737745995 599499494 /nfs/dbraw/zinc/49/94/94/599499494.db2.gz YNLXXOICFWJASN-OAHLLOKOSA-N -1 3 390.363 0.831 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736225644 599503941 /nfs/dbraw/zinc/50/39/41/599503941.db2.gz QTQGLHWDECQRIP-PYCNNQBISA-N -1 3 378.462 0.225 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736225644 599503944 /nfs/dbraw/zinc/50/39/44/599503944.db2.gz QTQGLHWDECQRIP-PYCNNQBISA-N -1 3 378.462 0.225 20 0 GCADHM C[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1cccc(-c2nnn[n-]2)c1 ZINC000820404625 599504065 /nfs/dbraw/zinc/50/40/65/599504065.db2.gz ZLHHAVCOBYXXRX-SECBINFHSA-N -1 3 392.379 0.705 20 0 GCADHM C[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1cccc(-c2nn[n-]n2)c1 ZINC000820404625 599504066 /nfs/dbraw/zinc/50/40/66/599504066.db2.gz ZLHHAVCOBYXXRX-SECBINFHSA-N -1 3 392.379 0.705 20 0 GCADHM C[C@@H](NC(=O)COCC(=O)NCc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329515 599504227 /nfs/dbraw/zinc/50/42/27/599504227.db2.gz XADIAOLCAKJCCZ-CYBMUJFWSA-N -1 3 395.423 0.772 20 0 GCADHM C[C@@H](NC(=O)COCC(=O)NCc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329515 599504230 /nfs/dbraw/zinc/50/42/30/599504230.db2.gz XADIAOLCAKJCCZ-CYBMUJFWSA-N -1 3 395.423 0.772 20 0 GCADHM C[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1cccc(-c2nnn[n-]2)c1 ZINC000820404626 599504517 /nfs/dbraw/zinc/50/45/17/599504517.db2.gz ZLHHAVCOBYXXRX-VIFPVBQESA-N -1 3 392.379 0.705 20 0 GCADHM C[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1cccc(-c2nn[n-]n2)c1 ZINC000820404626 599504518 /nfs/dbraw/zinc/50/45/18/599504518.db2.gz ZLHHAVCOBYXXRX-VIFPVBQESA-N -1 3 392.379 0.705 20 0 GCADHM CCS(=O)(=O)NCCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000821441839 599506717 /nfs/dbraw/zinc/50/67/17/599506717.db2.gz PRMSZFFSXNLYIZ-UHFFFAOYSA-N -1 3 397.411 0.856 20 0 GCADHM CCS(=O)(=O)NCCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000821441839 599506719 /nfs/dbraw/zinc/50/67/19/599506719.db2.gz PRMSZFFSXNLYIZ-UHFFFAOYSA-N -1 3 397.411 0.856 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1cccc2[nH]ccc21 ZINC000738075292 599507080 /nfs/dbraw/zinc/50/70/80/599507080.db2.gz OYKJBNQIPJWFTO-UHFFFAOYSA-N -1 3 391.395 0.910 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1cccc2[nH]ccc21 ZINC000738075292 599507084 /nfs/dbraw/zinc/50/70/84/599507084.db2.gz OYKJBNQIPJWFTO-UHFFFAOYSA-N -1 3 391.395 0.910 20 0 GCADHM COC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736918939 599510665 /nfs/dbraw/zinc/51/06/65/599510665.db2.gz JYPBGACOEKFQPT-UHFFFAOYSA-N -1 3 376.373 0.272 20 0 GCADHM COC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736918939 599510667 /nfs/dbraw/zinc/51/06/67/599510667.db2.gz JYPBGACOEKFQPT-UHFFFAOYSA-N -1 3 376.373 0.272 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(=O)OC(C)(C)C ZINC000736636158 599511201 /nfs/dbraw/zinc/51/12/01/599511201.db2.gz PCRBTRTTZDKFEU-UHFFFAOYSA-N -1 3 390.400 0.662 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(=O)OC(C)(C)C ZINC000736636158 599511204 /nfs/dbraw/zinc/51/12/04/599511204.db2.gz PCRBTRTTZDKFEU-UHFFFAOYSA-N -1 3 390.400 0.662 20 0 GCADHM CCOC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736596910 599511367 /nfs/dbraw/zinc/51/13/67/599511367.db2.gz VECCPYDOKWJTIP-UHFFFAOYSA-N -1 3 390.400 0.662 20 0 GCADHM CCOC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736596910 599511370 /nfs/dbraw/zinc/51/13/70/599511370.db2.gz VECCPYDOKWJTIP-UHFFFAOYSA-N -1 3 390.400 0.662 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1ccc(O)cc1 ZINC000737058566 599512195 /nfs/dbraw/zinc/51/21/95/599512195.db2.gz MTTWZVVGFPAVAC-UHFFFAOYSA-N -1 3 382.380 0.878 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1ccc(O)cc1 ZINC000737058566 599512198 /nfs/dbraw/zinc/51/21/98/599512198.db2.gz MTTWZVVGFPAVAC-UHFFFAOYSA-N -1 3 382.380 0.878 20 0 GCADHM COc1cc(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)ccc1O ZINC000737044733 599512331 /nfs/dbraw/zinc/51/23/31/599512331.db2.gz RCLHCRVEKKDXSI-UHFFFAOYSA-N -1 3 382.380 0.878 20 0 GCADHM COc1cc(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC000737044733 599512333 /nfs/dbraw/zinc/51/23/33/599512333.db2.gz RCLHCRVEKKDXSI-UHFFFAOYSA-N -1 3 382.380 0.878 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1nc(C2CC2)no1 ZINC000737056926 599512390 /nfs/dbraw/zinc/51/23/90/599512390.db2.gz DUXUXTPONOWLBB-UHFFFAOYSA-N -1 3 384.356 0.391 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1nc(C2CC2)no1 ZINC000737056926 599512393 /nfs/dbraw/zinc/51/23/93/599512393.db2.gz DUXUXTPONOWLBB-UHFFFAOYSA-N -1 3 384.356 0.391 20 0 GCADHM Cn1cc(C2CCN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)CC2)cn1 ZINC000822674257 599513478 /nfs/dbraw/zinc/51/34/78/599513478.db2.gz PAHPMQCZNAKJTO-UHFFFAOYSA-N -1 3 388.457 0.632 20 0 GCADHM Cn1cc(C2CCN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)CC2)cn1 ZINC000822674257 599513480 /nfs/dbraw/zinc/51/34/80/599513480.db2.gz PAHPMQCZNAKJTO-UHFFFAOYSA-N -1 3 388.457 0.632 20 0 GCADHM O=C(NCC1(O)CCOCC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738040823 599515066 /nfs/dbraw/zinc/51/50/66/599515066.db2.gz SZKBKSJSHXCHTD-UHFFFAOYSA-N -1 3 380.792 0.116 20 0 GCADHM O=C(NCC1(O)CCOCC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738040823 599515067 /nfs/dbraw/zinc/51/50/67/599515067.db2.gz SZKBKSJSHXCHTD-UHFFFAOYSA-N -1 3 380.792 0.116 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CC1 ZINC000736136611 599516030 /nfs/dbraw/zinc/51/60/30/599516030.db2.gz IBVHTJFNUCKMLW-MRXNPFEDSA-N -1 3 396.354 0.684 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CC1 ZINC000736136611 599516031 /nfs/dbraw/zinc/51/60/31/599516031.db2.gz IBVHTJFNUCKMLW-MRXNPFEDSA-N -1 3 396.354 0.684 20 0 GCADHM CCS(=O)(=O)NCCNc1c(-c2nnn[n-]2)cnc2ccc(Cl)cc21 ZINC000821441838 599516331 /nfs/dbraw/zinc/51/63/31/599516331.db2.gz PRAXFQBARWDLHA-UHFFFAOYSA-N -1 3 381.849 0.841 20 0 GCADHM CCS(=O)(=O)NCCNc1c(-c2nn[n-]n2)cnc2ccc(Cl)cc21 ZINC000821441838 599516332 /nfs/dbraw/zinc/51/63/32/599516332.db2.gz PRAXFQBARWDLHA-UHFFFAOYSA-N -1 3 381.849 0.841 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCN1CCCS1(=O)=O ZINC000822335793 599517213 /nfs/dbraw/zinc/51/72/13/599517213.db2.gz LSHCQWSUJLEQRM-UHFFFAOYSA-N -1 3 387.469 0.983 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCCN1CCCS1(=O)=O ZINC000822335793 599517214 /nfs/dbraw/zinc/51/72/14/599517214.db2.gz LSHCQWSUJLEQRM-UHFFFAOYSA-N -1 3 387.469 0.983 20 0 GCADHM CCn1nc(C)c(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)c1C ZINC000821568194 599520655 /nfs/dbraw/zinc/52/06/55/599520655.db2.gz LGPWRJXPTYYXEO-UHFFFAOYSA-N -1 3 376.446 0.959 20 0 GCADHM CCn1nc(C)c(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)c1C ZINC000821568194 599520656 /nfs/dbraw/zinc/52/06/56/599520656.db2.gz LGPWRJXPTYYXEO-UHFFFAOYSA-N -1 3 376.446 0.959 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820753604 599536417 /nfs/dbraw/zinc/53/64/17/599536417.db2.gz ZNGUNXISWSMNGI-JSGCOSHPSA-N -1 3 393.442 0.986 20 0 GCADHM CC(C)(CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)NS(C)(=O)=O ZINC000819984383 599546366 /nfs/dbraw/zinc/54/63/66/599546366.db2.gz UHVOELZRJLYXJR-UHFFFAOYSA-N -1 3 397.411 0.855 20 0 GCADHM CC(C)(CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)NS(C)(=O)=O ZINC000819984383 599546368 /nfs/dbraw/zinc/54/63/68/599546368.db2.gz UHVOELZRJLYXJR-UHFFFAOYSA-N -1 3 397.411 0.855 20 0 GCADHM CN(CCNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC(F)(F)F ZINC000821602666 599552906 /nfs/dbraw/zinc/55/29/06/599552906.db2.gz NDMFQWNQQWFZMC-UHFFFAOYSA-N -1 3 379.368 0.420 20 0 GCADHM CN(CCNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC(F)(F)F ZINC000821602666 599552909 /nfs/dbraw/zinc/55/29/09/599552909.db2.gz NDMFQWNQQWFZMC-UHFFFAOYSA-N -1 3 379.368 0.420 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000737034187 599556557 /nfs/dbraw/zinc/55/65/57/599556557.db2.gz XPBOETPPMQJVEO-CYBMUJFWSA-N -1 3 388.428 0.771 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000737034187 599556560 /nfs/dbraw/zinc/55/65/60/599556560.db2.gz XPBOETPPMQJVEO-CYBMUJFWSA-N -1 3 388.428 0.771 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822894812 599558656 /nfs/dbraw/zinc/55/86/56/599558656.db2.gz GXBQYDRCDNTLKX-UHFFFAOYSA-N -1 3 388.409 0.323 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735876260 599566099 /nfs/dbraw/zinc/56/60/99/599566099.db2.gz YCZREVXQCRKNOP-HOCLYGCPSA-N -1 3 383.456 0.961 20 0 GCADHM C[C@@H]1[C@H](C)N(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCS1(=O)=O ZINC000820642203 599575177 /nfs/dbraw/zinc/57/51/77/599575177.db2.gz GSXJEDGWMVVVGE-WDEREUQCSA-N -1 3 389.441 0.924 20 0 GCADHM C[C@@H]1[C@H](C)N(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCS1(=O)=O ZINC000820642203 599575179 /nfs/dbraw/zinc/57/51/79/599575179.db2.gz GSXJEDGWMVVVGE-WDEREUQCSA-N -1 3 389.441 0.924 20 0 GCADHM C[C@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCS1(=O)=O ZINC000820759885 599576073 /nfs/dbraw/zinc/57/60/73/599576073.db2.gz OANSFTSNFSGVAK-JTQLQIEISA-N -1 3 375.414 0.536 20 0 GCADHM C[C@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCS1(=O)=O ZINC000820759885 599576076 /nfs/dbraw/zinc/57/60/76/599576076.db2.gz OANSFTSNFSGVAK-JTQLQIEISA-N -1 3 375.414 0.536 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CCCO1 ZINC000736286862 599578227 /nfs/dbraw/zinc/57/82/27/599578227.db2.gz OAJCURIINCQFOM-XIKOKIGWSA-N -1 3 385.428 0.702 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CCCO1 ZINC000736286862 599578229 /nfs/dbraw/zinc/57/82/29/599578229.db2.gz OAJCURIINCQFOM-XIKOKIGWSA-N -1 3 385.428 0.702 20 0 GCADHM O=C1CN(CN2CCn3ccnc3C2)C(=O)N1Cc1ccccc1-c1nnn[n-]1 ZINC000738307057 599579825 /nfs/dbraw/zinc/57/98/25/599579825.db2.gz OVFNBXAXOGLKPH-UHFFFAOYSA-N -1 3 393.411 0.301 20 0 GCADHM O=C1CN(CN2CCn3ccnc3C2)C(=O)N1Cc1ccccc1-c1nn[n-]n1 ZINC000738307057 599579827 /nfs/dbraw/zinc/57/98/27/599579827.db2.gz OVFNBXAXOGLKPH-UHFFFAOYSA-N -1 3 393.411 0.301 20 0 GCADHM CC(C)N1C(=O)CN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1(C)C ZINC000820127050 599586169 /nfs/dbraw/zinc/58/61/69/599586169.db2.gz HTSROBBIGANZBB-UHFFFAOYSA-N -1 3 385.472 0.814 20 0 GCADHM CC(C)N1C(=O)CN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1(C)C ZINC000820127050 599586170 /nfs/dbraw/zinc/58/61/70/599586170.db2.gz HTSROBBIGANZBB-UHFFFAOYSA-N -1 3 385.472 0.814 20 0 GCADHM C[C@H]1CN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCS1(=O)=O ZINC000736292674 599586390 /nfs/dbraw/zinc/58/63/90/599586390.db2.gz QNYCIAPKIVOPGE-FZMZJTMJSA-N -1 3 376.442 0.091 20 0 GCADHM C[C@H]1CN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCS1(=O)=O ZINC000736292674 599586391 /nfs/dbraw/zinc/58/63/91/599586391.db2.gz QNYCIAPKIVOPGE-FZMZJTMJSA-N -1 3 376.442 0.091 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000735942065 599595117 /nfs/dbraw/zinc/59/51/17/599595117.db2.gz CEVOVUCMQHHLPD-LBPRGKRZSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000735942065 599595119 /nfs/dbraw/zinc/59/51/19/599595119.db2.gz CEVOVUCMQHHLPD-LBPRGKRZSA-N -1 3 388.457 0.875 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000822319384 599598589 /nfs/dbraw/zinc/59/85/89/599598589.db2.gz PUVWSXROMYOBID-UHFFFAOYSA-N -1 3 393.407 0.660 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000822319384 599598590 /nfs/dbraw/zinc/59/85/90/599598590.db2.gz PUVWSXROMYOBID-UHFFFAOYSA-N -1 3 393.407 0.660 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)NC1CC1 ZINC000823001322 599598943 /nfs/dbraw/zinc/59/89/43/599598943.db2.gz LDWGOLQNLOMIJY-UHFFFAOYSA-N -1 3 397.317 0.219 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)NC1CC1 ZINC000823001322 599598945 /nfs/dbraw/zinc/59/89/45/599598945.db2.gz LDWGOLQNLOMIJY-UHFFFAOYSA-N -1 3 397.317 0.219 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)nc2)c1-c1nnn[n-]1 ZINC000822319655 599599075 /nfs/dbraw/zinc/59/90/75/599599075.db2.gz WCPHLHINXNLXJT-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)nc2)c1-c1nn[n-]n1 ZINC000822319655 599599076 /nfs/dbraw/zinc/59/90/76/599599076.db2.gz WCPHLHINXNLXJT-UHFFFAOYSA-N -1 3 380.412 0.891 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)c1-c1nnn[n-]1 ZINC000822312848 599600072 /nfs/dbraw/zinc/60/00/72/599600072.db2.gz JCUYRGWNDXQUGF-UHFFFAOYSA-N -1 3 393.407 0.546 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)c1-c1nn[n-]n1 ZINC000822312848 599600074 /nfs/dbraw/zinc/60/00/74/599600074.db2.gz JCUYRGWNDXQUGF-UHFFFAOYSA-N -1 3 393.407 0.546 20 0 GCADHM Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000822319196 599600797 /nfs/dbraw/zinc/60/07/97/599600797.db2.gz MJSYUACSDJXSBF-UHFFFAOYSA-N -1 3 382.428 0.823 20 0 GCADHM Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000822319196 599600798 /nfs/dbraw/zinc/60/07/98/599600798.db2.gz MJSYUACSDJXSBF-UHFFFAOYSA-N -1 3 382.428 0.823 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC2CCC3(CC2)OCCO3)c1-c1nnn[n-]1 ZINC000822312183 599601730 /nfs/dbraw/zinc/60/17/30/599601730.db2.gz CBQSHOJCKYONRK-UHFFFAOYSA-N -1 3 386.412 0.916 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC2CCC3(CC2)OCCO3)c1-c1nn[n-]n1 ZINC000822312183 599601732 /nfs/dbraw/zinc/60/17/32/599601732.db2.gz CBQSHOJCKYONRK-UHFFFAOYSA-N -1 3 386.412 0.916 20 0 GCADHM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000819802724 599602442 /nfs/dbraw/zinc/60/24/42/599602442.db2.gz HZBWOVDISUWSJH-CYBMUJFWSA-N -1 3 385.428 0.488 20 0 GCADHM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000819802724 599602444 /nfs/dbraw/zinc/60/24/44/599602444.db2.gz HZBWOVDISUWSJH-CYBMUJFWSA-N -1 3 385.428 0.488 20 0 GCADHM COC(=O)CC1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000821658664 599602485 /nfs/dbraw/zinc/60/24/85/599602485.db2.gz DRFFSHDUDQXEEP-UHFFFAOYSA-N -1 3 386.412 0.915 20 0 GCADHM COC(=O)CC1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000821658664 599602488 /nfs/dbraw/zinc/60/24/88/599602488.db2.gz DRFFSHDUDQXEEP-UHFFFAOYSA-N -1 3 386.412 0.915 20 0 GCADHM CNC(=O)C1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000821631419 599602491 /nfs/dbraw/zinc/60/24/91/599602491.db2.gz IQNNHTWRXSCNSC-UHFFFAOYSA-N -1 3 385.428 0.535 20 0 GCADHM CNC(=O)C1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000821631419 599602493 /nfs/dbraw/zinc/60/24/93/599602493.db2.gz IQNNHTWRXSCNSC-UHFFFAOYSA-N -1 3 385.428 0.535 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)NCc2ccco2)c1-c1nnn[n-]1 ZINC000822312858 599602655 /nfs/dbraw/zinc/60/26/55/599602655.db2.gz JGJDVALBEKYKRK-LLVKDONJSA-N -1 3 397.395 0.528 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)C(=O)NCc2ccco2)c1-c1nn[n-]n1 ZINC000822312858 599602656 /nfs/dbraw/zinc/60/26/56/599602656.db2.gz JGJDVALBEKYKRK-LLVKDONJSA-N -1 3 397.395 0.528 20 0 GCADHM Cc1cc(CNC(=O)N2CCN(c3oc(C4CC4)nc3-c3nnn[n-]3)CC2)[nH]n1 ZINC000737264421 599602751 /nfs/dbraw/zinc/60/27/51/599602751.db2.gz LYRXLKPFOHQDAY-UHFFFAOYSA-N -1 3 398.431 0.795 20 0 GCADHM Cc1cc(CNC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)[nH]n1 ZINC000737264421 599602753 /nfs/dbraw/zinc/60/27/53/599602753.db2.gz LYRXLKPFOHQDAY-UHFFFAOYSA-N -1 3 398.431 0.795 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)CCC1=O ZINC000736844434 599602829 /nfs/dbraw/zinc/60/28/29/599602829.db2.gz AZTVZFZEPRORCR-AWEZNQCLSA-N -1 3 398.471 0.709 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)CCC1=O ZINC000736844434 599602831 /nfs/dbraw/zinc/60/28/31/599602831.db2.gz AZTVZFZEPRORCR-AWEZNQCLSA-N -1 3 398.471 0.709 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000821664883 599603855 /nfs/dbraw/zinc/60/38/55/599603855.db2.gz MPTUGMMJALFIKD-LLVKDONJSA-N -1 3 387.400 0.461 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000821664883 599603857 /nfs/dbraw/zinc/60/38/57/599603857.db2.gz MPTUGMMJALFIKD-LLVKDONJSA-N -1 3 387.400 0.461 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)c1-c1nnn[n-]1 ZINC000822312360 599604090 /nfs/dbraw/zinc/60/40/90/599604090.db2.gz FEJZHLYGFBRJHU-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)c1-c1nn[n-]n1 ZINC000822312360 599604092 /nfs/dbraw/zinc/60/40/92/599604092.db2.gz FEJZHLYGFBRJHU-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c1-c1nnn[n-]1 ZINC000822313989 599604437 /nfs/dbraw/zinc/60/44/37/599604437.db2.gz QQGYGYXLGNJRLK-CYBMUJFWSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c1-c1nn[n-]n1 ZINC000822313989 599604438 /nfs/dbraw/zinc/60/44/38/599604438.db2.gz QQGYGYXLGNJRLK-CYBMUJFWSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000822312691 599604514 /nfs/dbraw/zinc/60/45/14/599604514.db2.gz IMPDGMKDIRJIQV-QWHCGFSZSA-N -1 3 387.444 0.339 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000822312691 599604515 /nfs/dbraw/zinc/60/45/15/599604515.db2.gz IMPDGMKDIRJIQV-QWHCGFSZSA-N -1 3 387.444 0.339 20 0 GCADHM Cn1cc(C2CCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000737606489 599604559 /nfs/dbraw/zinc/60/45/59/599604559.db2.gz SKEWMXYWWYKCDX-UHFFFAOYSA-N -1 3 394.439 0.736 20 0 GCADHM Cn1cc(C2CCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737606489 599604562 /nfs/dbraw/zinc/60/45/62/599604562.db2.gz SKEWMXYWWYKCDX-UHFFFAOYSA-N -1 3 394.439 0.736 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2cn3c(n2)CCCC3)c1-c1nnn[n-]1 ZINC000822319035 599604612 /nfs/dbraw/zinc/60/46/12/599604612.db2.gz GYBNNJBFGPCHIQ-UHFFFAOYSA-N -1 3 380.412 0.963 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2cn3c(n2)CCCC3)c1-c1nn[n-]n1 ZINC000822319035 599604613 /nfs/dbraw/zinc/60/46/13/599604613.db2.gz GYBNNJBFGPCHIQ-UHFFFAOYSA-N -1 3 380.412 0.963 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)c1-c1nnn[n-]1 ZINC000822315138 599604766 /nfs/dbraw/zinc/60/47/66/599604766.db2.gz ZUGVQLREAVFHLJ-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)c1-c1nn[n-]n1 ZINC000822315138 599604768 /nfs/dbraw/zinc/60/47/68/599604768.db2.gz ZUGVQLREAVFHLJ-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cncn2)c1-c1nnn[n-]1 ZINC000822314568 599605836 /nfs/dbraw/zinc/60/58/36/599605836.db2.gz VLMLVBVVFFBALK-GFCCVEGCSA-N -1 3 381.400 0.396 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cncn2)c1-c1nn[n-]n1 ZINC000822314568 599605838 /nfs/dbraw/zinc/60/58/38/599605838.db2.gz VLMLVBVVFFBALK-GFCCVEGCSA-N -1 3 381.400 0.396 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccnc(-n2cncn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740110 599606217 /nfs/dbraw/zinc/60/62/17/599606217.db2.gz MFMOAZCGVBPUSC-CQSZACIVSA-N -1 3 391.351 0.226 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccnc(-n2cncn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740110 599606219 /nfs/dbraw/zinc/60/62/19/599606219.db2.gz MFMOAZCGVBPUSC-CQSZACIVSA-N -1 3 391.351 0.226 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC000822315098 599607671 /nfs/dbraw/zinc/60/76/71/599607671.db2.gz ZCURDMQIUFFLQG-KDHKCVMQSA-N -1 3 376.442 0.482 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000822315098 599607673 /nfs/dbraw/zinc/60/76/73/599607673.db2.gz ZCURDMQIUFFLQG-KDHKCVMQSA-N -1 3 376.442 0.482 20 0 GCADHM Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000822669837 599610765 /nfs/dbraw/zinc/61/07/65/599610765.db2.gz RSLFZYUBDPDADX-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000822669837 599610767 /nfs/dbraw/zinc/61/07/67/599610767.db2.gz RSLFZYUBDPDADX-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@H](O)CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000822669676 599611202 /nfs/dbraw/zinc/61/12/02/599611202.db2.gz LPENJTGIJATYTB-GFCCVEGCSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@H](O)CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000822669676 599611203 /nfs/dbraw/zinc/61/12/03/599611203.db2.gz LPENJTGIJATYTB-GFCCVEGCSA-N -1 3 390.791 0.042 20 0 GCADHM CC(C)CC(=O)N1CCC(NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820050580 599612584 /nfs/dbraw/zinc/61/25/84/599612584.db2.gz CNCCJILIZYMOBE-UHFFFAOYSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)CC(=O)N1CCC(NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820050580 599612586 /nfs/dbraw/zinc/61/25/86/599612586.db2.gz CNCCJILIZYMOBE-UHFFFAOYSA-N -1 3 399.455 0.959 20 0 GCADHM CN(C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@H]1CCN(C)C1=O ZINC000736852160 599613055 /nfs/dbraw/zinc/61/30/55/599613055.db2.gz NZWQZLFVVRJQEK-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM CN(C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@H]1CCN(C)C1=O ZINC000736852160 599613056 /nfs/dbraw/zinc/61/30/56/599613056.db2.gz NZWQZLFVVRJQEK-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM Cc1nn(C)c(C)c1CN(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737510213 599613355 /nfs/dbraw/zinc/61/33/55/599613355.db2.gz KBIPOGCXUIRLLV-UHFFFAOYSA-N -1 3 384.448 0.866 20 0 GCADHM Cc1nn(C)c(C)c1CN(C)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737510213 599613357 /nfs/dbraw/zinc/61/33/57/599613357.db2.gz KBIPOGCXUIRLLV-UHFFFAOYSA-N -1 3 384.448 0.866 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@H]1O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000823175482 599614722 /nfs/dbraw/zinc/61/47/22/599614722.db2.gz JPELLDDWPUKZLF-ONGXEEELSA-N -1 3 396.354 0.684 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@H]1O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000823175482 599614724 /nfs/dbraw/zinc/61/47/24/599614724.db2.gz JPELLDDWPUKZLF-ONGXEEELSA-N -1 3 396.354 0.684 20 0 GCADHM CC(C)N1C(=O)CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1(C)C ZINC000820120673 599615297 /nfs/dbraw/zinc/61/52/97/599615297.db2.gz IUCLWNGWNGPBEJ-UHFFFAOYSA-N -1 3 385.428 0.663 20 0 GCADHM CC(C)N1C(=O)CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1(C)C ZINC000820120673 599615299 /nfs/dbraw/zinc/61/52/99/599615299.db2.gz IUCLWNGWNGPBEJ-UHFFFAOYSA-N -1 3 385.428 0.663 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@](C)(O)CSC ZINC000736635276 599615557 /nfs/dbraw/zinc/61/55/57/599615557.db2.gz LDNRODOWPRFORZ-MRXNPFEDSA-N -1 3 394.457 0.434 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)CSC ZINC000736635276 599615558 /nfs/dbraw/zinc/61/55/58/599615558.db2.gz LDNRODOWPRFORZ-MRXNPFEDSA-N -1 3 394.457 0.434 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000735943531 599615694 /nfs/dbraw/zinc/61/56/94/599615694.db2.gz TZKZTFPWJAJJNO-ZDUSSCGKSA-N -1 3 395.427 0.651 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000735943531 599615696 /nfs/dbraw/zinc/61/56/96/599615696.db2.gz TZKZTFPWJAJJNO-ZDUSSCGKSA-N -1 3 395.427 0.651 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)CN1CCOCC1 ZINC000736010993 599615735 /nfs/dbraw/zinc/61/57/35/599615735.db2.gz YASHGLUUBKEWEC-NSHDSACASA-N -1 3 391.407 0.029 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cccn1 ZINC000737055432 599616183 /nfs/dbraw/zinc/61/61/83/599616183.db2.gz FYCOAHKKOUULLP-CYBMUJFWSA-N -1 3 396.411 0.702 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000823333007 599616264 /nfs/dbraw/zinc/61/62/64/599616264.db2.gz WWJQWYCMWWIZND-LLVKDONJSA-N -1 3 385.363 0.400 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000823333007 599616266 /nfs/dbraw/zinc/61/62/66/599616266.db2.gz WWJQWYCMWWIZND-LLVKDONJSA-N -1 3 385.363 0.400 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC1(O)Cc2ccccc2C1 ZINC000737288565 599616620 /nfs/dbraw/zinc/61/66/20/599616620.db2.gz LNRFMFCMASQWDG-UHFFFAOYSA-N -1 3 392.419 0.760 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1(O)Cc2ccccc2C1 ZINC000737288565 599616622 /nfs/dbraw/zinc/61/66/22/599616622.db2.gz LNRFMFCMASQWDG-UHFFFAOYSA-N -1 3 392.419 0.760 20 0 GCADHM CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737179232 599616659 /nfs/dbraw/zinc/61/66/59/599616659.db2.gz JNRNFZFLOQTZLI-AWEZNQCLSA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737179232 599616660 /nfs/dbraw/zinc/61/66/60/599616660.db2.gz JNRNFZFLOQTZLI-AWEZNQCLSA-N -1 3 384.849 0.689 20 0 GCADHM C[C@H](CCO)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820241563 599616951 /nfs/dbraw/zinc/61/69/51/599616951.db2.gz HBXIZGRLXVKACG-MRVPVSSYSA-N -1 3 384.343 0.541 20 0 GCADHM C[C@H](CCO)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820241563 599616953 /nfs/dbraw/zinc/61/69/53/599616953.db2.gz HBXIZGRLXVKACG-MRVPVSSYSA-N -1 3 384.343 0.541 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737739355 599617149 /nfs/dbraw/zinc/61/71/49/599617149.db2.gz NXVSEGWDHCNOGU-DTWKUNHWSA-N -1 3 375.364 0.105 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737739355 599617151 /nfs/dbraw/zinc/61/71/51/599617151.db2.gz NXVSEGWDHCNOGU-DTWKUNHWSA-N -1 3 375.364 0.105 20 0 GCADHM O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738037788 599617241 /nfs/dbraw/zinc/61/72/41/599617241.db2.gz FPQTWSABSZFGPO-UHFFFAOYSA-N -1 3 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CC[C@H](CO)N1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000820909405 599642527 /nfs/dbraw/zinc/64/25/27/599642527.db2.gz VOHGZEIDOSRMTP-GXTWGEPZSA-N -1 3 391.476 0.792 20 0 GCADHM O=C(CN1CCNC(=O)[C@H]1c1cccs1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823001252 599644022 /nfs/dbraw/zinc/64/40/22/599644022.db2.gz JAWUNRZYPVSLOY-MRXNPFEDSA-N -1 3 397.464 0.718 20 0 GCADHM O=C(CN1CCNC(=O)[C@H]1c1cccs1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823001252 599644023 /nfs/dbraw/zinc/64/40/23/599644023.db2.gz JAWUNRZYPVSLOY-MRXNPFEDSA-N -1 3 397.464 0.718 20 0 GCADHM Cn1ccnc(N2CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1=O ZINC000822693809 599647401 /nfs/dbraw/zinc/64/74/01/599647401.db2.gz KOXCPOUKFGWMPY-UHFFFAOYSA-N -1 3 381.400 0.315 20 0 GCADHM Cn1ccnc(N2CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1=O ZINC000822693809 599647402 /nfs/dbraw/zinc/64/74/02/599647402.db2.gz KOXCPOUKFGWMPY-UHFFFAOYSA-N -1 3 381.400 0.315 20 0 GCADHM Cn1ccc(N2CCC[C@@H](OC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822690442 599648465 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GCADHM CCc1nc2n(n1)C[C@H](NC(=O)NCc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC000821509157 599674838 /nfs/dbraw/zinc/67/48/38/599674838.db2.gz DJGIUTVZZSWNJH-GFCCVEGCSA-N -1 3 385.407 0.974 20 0 GCADHM CCN(C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821153389 599677543 /nfs/dbraw/zinc/67/75/43/599677543.db2.gz AKCIZFVIYKMVJJ-ZDUSSCGKSA-N -1 3 394.457 0.464 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@H](CO)Cc1ccco1 ZINC000823212356 599677655 /nfs/dbraw/zinc/67/76/55/599677655.db2.gz YOCGDIFTUZMZDI-CYBMUJFWSA-N -1 3 386.412 0.989 20 0 GCADHM Cn1cc(CN2CCN(C(=O)NCc3cc(-c4nn[n-]n4)ccc3F)CC2)cn1 ZINC000822679335 599678800 /nfs/dbraw/zinc/67/88/00/599678800.db2.gz BIVIVMYVYDLDME-UHFFFAOYSA-N -1 3 399.434 0.767 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821441006 599678876 /nfs/dbraw/zinc/67/88/76/599678876.db2.gz HBGLIHXAXGGXFI-UHFFFAOYSA-N -1 3 397.436 0.183 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821441006 599678877 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CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)cc1-c1nnn[n-]1 ZINC000820154999 607437641 /nfs/dbraw/zinc/43/76/41/607437641.db2.gz GSKZNTPRJBKSJR-RISCZKNCSA-N -1 3 388.428 0.870 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)cc1-c1nn[n-]n1 ZINC000820154999 607437643 /nfs/dbraw/zinc/43/76/43/607437643.db2.gz GSKZNTPRJBKSJR-RISCZKNCSA-N -1 3 388.428 0.870 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737349071 600351451 /nfs/dbraw/zinc/35/14/51/600351451.db2.gz WEKCHHQKXDARIS-GJZGRUSLSA-N -1 3 380.489 0.825 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)cc1-c1nnn[n-]1 ZINC000820155452 607438079 /nfs/dbraw/zinc/43/80/79/607438079.db2.gz QBRJRTQXQHDAQC-GOSISDBHSA-N -1 3 388.428 0.870 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)cc1-c1nn[n-]n1 ZINC000820155452 607438082 /nfs/dbraw/zinc/43/80/82/607438082.db2.gz QBRJRTQXQHDAQC-GOSISDBHSA-N -1 3 388.428 0.870 20 0 GCADHM CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000737114340 600361931 /nfs/dbraw/zinc/36/19/31/600361931.db2.gz CSRKMHQMMWUSIN-CQSZACIVSA-N -1 3 391.472 0.535 20 0 GCADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821681588 607438861 /nfs/dbraw/zinc/43/88/61/607438861.db2.gz NYNCXSLGGQHHAS-KRWDZBQOSA-N -1 3 392.416 0.106 20 0 GCADHM COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821681588 607438863 /nfs/dbraw/zinc/43/88/63/607438863.db2.gz NYNCXSLGGQHHAS-KRWDZBQOSA-N -1 3 392.416 0.106 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)[O-] ZINC000736570819 600366380 /nfs/dbraw/zinc/36/63/80/600366380.db2.gz HQRRPKYOVGCHEL-CQSZACIVSA-N -1 3 383.470 0.172 20 0 GCADHM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821658646 607439195 /nfs/dbraw/zinc/43/91/95/607439195.db2.gz DJBXFTWEOYLPBE-JTQLQIEISA-N -1 3 376.348 0.498 20 0 GCADHM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821658646 607439197 /nfs/dbraw/zinc/43/91/97/607439197.db2.gz DJBXFTWEOYLPBE-JTQLQIEISA-N -1 3 376.348 0.498 20 0 GCADHM COC(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821659342 607439497 /nfs/dbraw/zinc/43/94/97/607439497.db2.gz ZRQNTZPADLWIPQ-SNVBAGLBSA-N -1 3 376.348 0.498 20 0 GCADHM COC(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000821659342 607439498 /nfs/dbraw/zinc/43/94/98/607439498.db2.gz ZRQNTZPADLWIPQ-SNVBAGLBSA-N -1 3 376.348 0.498 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@H](O)c2cccnc2)cc1 ZINC000822903030 607439846 /nfs/dbraw/zinc/43/98/46/607439846.db2.gz GIZJNTILOOCXPI-OAHLLOKOSA-N -1 3 391.395 0.493 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@H](O)c2cccnc2)cc1 ZINC000822903030 607439847 /nfs/dbraw/zinc/43/98/47/607439847.db2.gz GIZJNTILOOCXPI-OAHLLOKOSA-N -1 3 391.395 0.493 20 0 GCADHM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825663806 607441217 /nfs/dbraw/zinc/44/12/17/607441217.db2.gz WRJWAHJYFOCVNJ-CYBMUJFWSA-N -1 3 378.458 0.891 20 0 GCADHM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825663806 607441218 /nfs/dbraw/zinc/44/12/18/607441218.db2.gz WRJWAHJYFOCVNJ-CYBMUJFWSA-N -1 3 378.458 0.891 20 0 GCADHM COC(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821659242 607441728 /nfs/dbraw/zinc/44/17/28/607441728.db2.gz WXDUHJKERTYVLI-SNVBAGLBSA-N -1 3 376.348 0.498 20 0 GCADHM COC(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821659242 607441730 /nfs/dbraw/zinc/44/17/30/607441730.db2.gz WXDUHJKERTYVLI-SNVBAGLBSA-N -1 3 376.348 0.498 20 0 GCADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCC[C@@H]1Cn1cncn1 ZINC000737863956 600423563 /nfs/dbraw/zinc/42/35/63/600423563.db2.gz DARBGNGBDXSZAZ-HUUCEWRRSA-N -1 3 376.413 0.889 20 0 GCADHM Cc1oc(CN(C)CCCn2c(=O)c3c(ncn3C)n(C)c2=O)cc1C(=O)[O-] ZINC000738966777 600429539 /nfs/dbraw/zinc/42/95/39/600429539.db2.gz GUIJFHDXAWNDGM-UHFFFAOYSA-N -1 3 389.412 0.555 20 0 GCADHM CN(C)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000737367525 600466595 /nfs/dbraw/zinc/46/65/95/600466595.db2.gz MKKCTMWHLXXBIQ-OAHLLOKOSA-N -1 3 390.440 0.382 20 0 GCADHM CC(C)[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)N1CCCS1(=O)=O ZINC000820017217 607445978 /nfs/dbraw/zinc/44/59/78/607445978.db2.gz UMWGHMOOZRQRLX-AWEZNQCLSA-N -1 3 396.448 0.682 20 0 GCADHM CC(C)[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)N1CCCS1(=O)=O ZINC000820017217 607445979 /nfs/dbraw/zinc/44/59/79/607445979.db2.gz UMWGHMOOZRQRLX-AWEZNQCLSA-N -1 3 396.448 0.682 20 0 GCADHM O=C([O-])Nc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1F ZINC000740004038 600469455 /nfs/dbraw/zinc/46/94/55/600469455.db2.gz YOCLCGINNUQMFX-VXGBXAGGSA-N -1 3 380.376 0.834 20 0 GCADHM O=C([O-])NCc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000739980088 600469795 /nfs/dbraw/zinc/46/97/95/600469795.db2.gz FSGKJQCJYBJTIT-GJZGRUSLSA-N -1 3 376.413 0.372 20 0 GCADHM CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000737115438 600470131 /nfs/dbraw/zinc/47/01/31/600470131.db2.gz PHQSSJQQKYHZDS-CZUORRHYSA-N -1 3 375.425 0.856 20 0 GCADHM C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCC(C(=O)[O-])CC1 ZINC000736215352 600475264 /nfs/dbraw/zinc/47/52/64/600475264.db2.gz OAVFLRCTIJOJBO-LBPRGKRZSA-N -1 3 383.470 0.178 20 0 GCADHM COC(=O)Cn1cc(CCOC(=O)CCc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000821663705 607446410 /nfs/dbraw/zinc/44/64/10/607446410.db2.gz KJVGEQIPFQKPGA-UHFFFAOYSA-N -1 3 385.384 0.350 20 0 GCADHM COC(=O)Cn1cc(CCOC(=O)CCc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000821663705 607446412 /nfs/dbraw/zinc/44/64/12/607446412.db2.gz KJVGEQIPFQKPGA-UHFFFAOYSA-N -1 3 385.384 0.350 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824297094 607448067 /nfs/dbraw/zinc/44/80/67/607448067.db2.gz PWPUPEIVEOQBHX-SFHVURJKSA-N -1 3 398.427 0.481 20 0 GCADHM CC(C)N1C(=O)N[C@]2(CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824297094 607448068 /nfs/dbraw/zinc/44/80/68/607448068.db2.gz PWPUPEIVEOQBHX-SFHVURJKSA-N -1 3 398.427 0.481 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C[C@@H]1CN(C)CCO1 ZINC000821629141 607449483 /nfs/dbraw/zinc/44/94/83/607449483.db2.gz ZQIIOTMLYNSNTJ-LBPRGKRZSA-N -1 3 379.852 0.721 20 0 GCADHM CN(CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C[C@@H]1CN(C)CCO1 ZINC000821629141 607449485 /nfs/dbraw/zinc/44/94/85/607449485.db2.gz ZQIIOTMLYNSNTJ-LBPRGKRZSA-N -1 3 379.852 0.721 20 0 GCADHM COCCN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)[C@@H](C)C(N)=O ZINC000821688969 607450322 /nfs/dbraw/zinc/45/03/22/607450322.db2.gz GBCVJISYFBSMPT-VIFPVBQESA-N -1 3 381.824 0.281 20 0 GCADHM COCCN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)[C@@H](C)C(N)=O ZINC000821688969 607450324 /nfs/dbraw/zinc/45/03/24/607450324.db2.gz GBCVJISYFBSMPT-VIFPVBQESA-N -1 3 381.824 0.281 20 0 GCADHM COC(=O)c1cc(NC(=O)[C@@H](C)N[C@H]2CCc3ncnn3C2)cc(C(=O)[O-])c1 ZINC000737658469 600523494 /nfs/dbraw/zinc/52/34/94/600523494.db2.gz DRJNOZOPNOWFEV-MFKMUULPSA-N -1 3 387.396 0.695 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(Cc2cnn(C)c2)CC1 ZINC000819877560 607450787 /nfs/dbraw/zinc/45/07/87/607450787.db2.gz YHNUPFKTUSRHKD-AWEZNQCLSA-N -1 3 395.471 0.745 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(Cc2cnn(C)c2)CC1 ZINC000819877560 607450789 /nfs/dbraw/zinc/45/07/89/607450789.db2.gz YHNUPFKTUSRHKD-AWEZNQCLSA-N -1 3 395.471 0.745 20 0 GCADHM COc1ccc(CN(C)C(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1 ZINC000826192164 607453652 /nfs/dbraw/zinc/45/36/52/607453652.db2.gz BNBPLKBBHXUDLR-UHFFFAOYSA-N -1 3 383.416 0.919 20 0 GCADHM COc1ccc(CN(C)C(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1 ZINC000826192164 607453653 /nfs/dbraw/zinc/45/36/53/607453653.db2.gz BNBPLKBBHXUDLR-UHFFFAOYSA-N -1 3 383.416 0.919 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1cccc(NC(=O)[O-])c1)CN1CCN(C)CC1 ZINC000736588071 600570433 /nfs/dbraw/zinc/57/04/33/600570433.db2.gz KTIRZPHQTCSOMM-ZDUSSCGKSA-N -1 3 377.445 0.715 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1Cl)CN1CCN(C)CC1 ZINC000736586693 600570521 /nfs/dbraw/zinc/57/05/21/600570521.db2.gz ORJOYWHCPJCKJB-LBPRGKRZSA-N -1 3 396.875 0.976 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825476237 607455238 /nfs/dbraw/zinc/45/52/38/607455238.db2.gz CTHLDHDPVMOFSZ-UHFFFAOYSA-N -1 3 379.446 0.094 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825476237 607455240 /nfs/dbraw/zinc/45/52/40/607455240.db2.gz CTHLDHDPVMOFSZ-UHFFFAOYSA-N -1 3 379.446 0.094 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825659644 607456709 /nfs/dbraw/zinc/45/67/09/607456709.db2.gz XSMBIQNQNPVLEZ-LLVKDONJSA-N -1 3 378.458 0.978 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825659644 607456711 /nfs/dbraw/zinc/45/67/11/607456711.db2.gz XSMBIQNQNPVLEZ-LLVKDONJSA-N -1 3 378.458 0.978 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822851545 607461822 /nfs/dbraw/zinc/46/18/22/607461822.db2.gz YQQYBJGXVWJWTL-RYUDHWBXSA-N -1 3 397.361 0.536 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822851545 607461823 /nfs/dbraw/zinc/46/18/23/607461823.db2.gz YQQYBJGXVWJWTL-RYUDHWBXSA-N -1 3 397.361 0.536 20 0 GCADHM COCCCN(Cc1cc(-c2nn[n-]n2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000826155839 607464694 /nfs/dbraw/zinc/46/46/94/607464694.db2.gz DUTRFRIXINIHME-OAHLLOKOSA-N -1 3 395.485 0.901 20 0 GCADHM CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000273619805 600777099 /nfs/dbraw/zinc/77/70/99/600777099.db2.gz AMLOZLPMPPYCCL-CQSZACIVSA-N -1 3 386.518 0.760 20 0 GCADHM O=S(=O)(NCCNc1ncc(-c2nnn[n-]2)cc1Cl)c1cccnc1 ZINC000823579071 607468348 /nfs/dbraw/zinc/46/83/48/607468348.db2.gz ZRSHHLHLENFMHD-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=S(=O)(NCCNc1ncc(-c2nn[n-]n2)cc1Cl)c1cccnc1 ZINC000823579071 607468349 /nfs/dbraw/zinc/46/83/49/607468349.db2.gz ZRSHHLHLENFMHD-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CC[C@H](N2CCOCC2)C1 ZINC000831919616 600837398 /nfs/dbraw/zinc/83/73/98/600837398.db2.gz YHBVRBAIBUQPBF-HOTGVXAUSA-N -1 3 380.441 0.540 20 0 GCADHM COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCCC2)cc1C(=O)[O-] ZINC000831393914 600869037 /nfs/dbraw/zinc/86/90/37/600869037.db2.gz PAQIFUKCMZYTDX-LLVKDONJSA-N -1 3 377.397 0.710 20 0 GCADHM CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC000830543001 600884795 /nfs/dbraw/zinc/88/47/95/600884795.db2.gz UGUJIVKCALKALC-GFCCVEGCSA-N -1 3 396.469 0.444 20 0 GCADHM CN(C(=O)c1ccc(NC(=O)C(=O)NCCC(=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000818478507 600897376 /nfs/dbraw/zinc/89/73/76/600897376.db2.gz NMDKXXJLBAZWDX-OAHLLOKOSA-N -1 3 390.440 0.382 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCF)cc1-c1nnn[n-]1 ZINC000825522837 607773741 /nfs/dbraw/zinc/77/37/41/607773741.db2.gz KGPPHAAADKLCOE-UHFFFAOYSA-N -1 3 379.352 0.849 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCF)cc1-c1nn[n-]n1 ZINC000825522837 607773742 /nfs/dbraw/zinc/77/37/42/607773742.db2.gz KGPPHAAADKLCOE-UHFFFAOYSA-N -1 3 379.352 0.849 20 0 GCADHM COC(=O)Cn1cc(CCSCCOc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000821664021 607476916 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ZINC000831457509 602063447 /nfs/dbraw/zinc/06/34/47/602063447.db2.gz HWKLJMZAOMUVLF-UHFFFAOYSA-N -1 3 384.410 0.033 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000826083578 607542466 /nfs/dbraw/zinc/54/24/66/607542466.db2.gz NKWQREWCHMYPRL-SSDOTTSWSA-N -1 3 377.352 0.408 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000826083578 607542469 /nfs/dbraw/zinc/54/24/69/607542469.db2.gz NKWQREWCHMYPRL-SSDOTTSWSA-N -1 3 377.352 0.408 20 0 GCADHM CN1CCCN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)CC1 ZINC000830940013 602092146 /nfs/dbraw/zinc/09/21/46/602092146.db2.gz BFTLZKRQQNEYDI-UHFFFAOYSA-N -1 3 383.470 0.533 20 0 GCADHM Cc1cccc(S(=O)(=O)NCc2nnc3n2CCCCC3)c1-c1nnn[n-]1 ZINC000826303538 607546118 /nfs/dbraw/zinc/54/61/18/607546118.db2.gz UJNAKXDUQWQDFA-UHFFFAOYSA-N -1 3 388.457 0.972 20 0 GCADHM Cc1cccc(S(=O)(=O)NCc2nnc3n2CCCCC3)c1-c1nn[n-]n1 ZINC000826303538 607546119 /nfs/dbraw/zinc/54/61/19/607546119.db2.gz UJNAKXDUQWQDFA-UHFFFAOYSA-N -1 3 388.457 0.972 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCOC3(CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826301708 607550582 /nfs/dbraw/zinc/55/05/82/607550582.db2.gz NCUXIRCXUQCGLO-UHFFFAOYSA-N -1 3 379.442 0.745 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCOC3(CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826301708 607550583 /nfs/dbraw/zinc/55/05/83/607550583.db2.gz NCUXIRCXUQCGLO-UHFFFAOYSA-N -1 3 379.442 0.745 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CCN1CCOC ZINC000825210524 607546336 /nfs/dbraw/zinc/54/63/36/607546336.db2.gz HUKOUHUDQRSJTA-CQSZACIVSA-N -1 3 394.501 0.906 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CCN1CCOC ZINC000825210524 607546337 /nfs/dbraw/zinc/54/63/37/607546337.db2.gz HUKOUHUDQRSJTA-CQSZACIVSA-N -1 3 394.501 0.906 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000830935301 602221723 /nfs/dbraw/zinc/22/17/23/602221723.db2.gz VIHLBNPPXRWVPE-OAHLLOKOSA-N -1 3 399.444 0.451 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000830934297 602221857 /nfs/dbraw/zinc/22/18/57/602221857.db2.gz DTWBYBJFQBJUKD-OAHLLOKOSA-N -1 3 381.454 0.312 20 0 GCADHM CCN(C[C@H]1CN(c2nnc(C)c(C)c2-c2nnn[n-]2)CCO1)c1cccnn1 ZINC000825419421 607557446 /nfs/dbraw/zinc/55/74/46/607557446.db2.gz PDCLSLBIBWXOMD-AWEZNQCLSA-N -1 3 396.459 0.795 20 0 GCADHM CCN(C[C@H]1CN(c2nnc(C)c(C)c2-c2nn[n-]n2)CCO1)c1cccnn1 ZINC000825419421 607557448 /nfs/dbraw/zinc/55/74/48/607557448.db2.gz PDCLSLBIBWXOMD-AWEZNQCLSA-N -1 3 396.459 0.795 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NCCOc1ncccc1F ZINC000826486497 607557521 /nfs/dbraw/zinc/55/75/21/607557521.db2.gz FEJVRWFSUXIRIJ-UHFFFAOYSA-N -1 3 378.389 0.899 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCCOc1ncccc1F ZINC000826486497 607557523 /nfs/dbraw/zinc/55/75/23/607557523.db2.gz FEJVRWFSUXIRIJ-UHFFFAOYSA-N -1 3 378.389 0.899 20 0 GCADHM CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000829770353 602402555 /nfs/dbraw/zinc/40/25/55/602402555.db2.gz IFBACMUDBMUFSD-LBPRGKRZSA-N -1 3 380.420 0.605 20 0 GCADHM COc1ccc(CNC(=O)NCCCN2C(=O)CCC2=O)cc1-c1nnn[n-]1 ZINC000826200087 607564890 /nfs/dbraw/zinc/56/48/90/607564890.db2.gz XZZIVHXVNSDYOU-UHFFFAOYSA-N -1 3 387.400 0.214 20 0 GCADHM COc1ccc(CNC(=O)NCCCN2C(=O)CCC2=O)cc1-c1nn[n-]n1 ZINC000826200087 607564892 /nfs/dbraw/zinc/56/48/92/607564892.db2.gz XZZIVHXVNSDYOU-UHFFFAOYSA-N -1 3 387.400 0.214 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCc2c[nH]nc2C1 ZINC000824319358 607565505 /nfs/dbraw/zinc/56/55/05/607565505.db2.gz NGUHCABFJKZHFP-UHFFFAOYSA-N -1 3 396.411 0.900 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCN(c3cc(-c4nnn[n-]4)ccn3)CC1)CC2 ZINC000826337698 607567119 /nfs/dbraw/zinc/56/71/19/607567119.db2.gz XULNZZNIEKMSMN-CQSZACIVSA-N -1 3 394.443 0.073 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCN(c3cc(-c4nn[n-]n4)ccn3)CC1)CC2 ZINC000826337698 607567120 /nfs/dbraw/zinc/56/71/20/607567120.db2.gz XULNZZNIEKMSMN-CQSZACIVSA-N -1 3 394.443 0.073 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)CO[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826198920 607569002 /nfs/dbraw/zinc/56/90/02/607569002.db2.gz MSXSPNDQPJYTOE-AAEUAGOBSA-N -1 3 376.417 0.869 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)CO[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826198920 607569004 /nfs/dbraw/zinc/56/90/04/607569004.db2.gz MSXSPNDQPJYTOE-AAEUAGOBSA-N -1 3 376.417 0.869 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)CO[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826198922 607569074 /nfs/dbraw/zinc/56/90/74/607569074.db2.gz MSXSPNDQPJYTOE-WCQYABFASA-N -1 3 376.417 0.869 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)CO[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826198922 607569076 /nfs/dbraw/zinc/56/90/76/607569076.db2.gz MSXSPNDQPJYTOE-WCQYABFASA-N -1 3 376.417 0.869 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H]2CCCS2(=O)=O)cc1-c1nnn[n-]1 ZINC000826200019 607569732 /nfs/dbraw/zinc/56/97/32/607569732.db2.gz VWFIIQCPELDPFX-LLVKDONJSA-N -1 3 380.430 0.252 20 0 GCADHM COc1ccc(CNC(=O)NC[C@H]2CCCS2(=O)=O)cc1-c1nn[n-]n1 ZINC000826200019 607569735 /nfs/dbraw/zinc/56/97/35/607569735.db2.gz VWFIIQCPELDPFX-LLVKDONJSA-N -1 3 380.430 0.252 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1-c1nnn[n-]1 ZINC000826198517 607565711 /nfs/dbraw/zinc/56/57/11/607565711.db2.gz AMMFDLIANLCCBZ-OLZOCXBDSA-N -1 3 389.460 0.784 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000826198517 607565713 /nfs/dbraw/zinc/56/57/13/607565713.db2.gz AMMFDLIANLCCBZ-OLZOCXBDSA-N -1 3 389.460 0.784 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000826399379 607565842 /nfs/dbraw/zinc/56/58/42/607565842.db2.gz URKWZYNDJSRYMF-INIZCTEOSA-N -1 3 392.423 0.916 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc1-c1nnn[n-]1 ZINC000826198516 607565880 /nfs/dbraw/zinc/56/58/80/607565880.db2.gz AMMFDLIANLCCBZ-CHWSQXEVSA-N -1 3 389.460 0.784 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc1-c1nn[n-]n1 ZINC000826198516 607565881 /nfs/dbraw/zinc/56/58/81/607565881.db2.gz AMMFDLIANLCCBZ-CHWSQXEVSA-N -1 3 389.460 0.784 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CCc2nnc(C)n2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117996 607565919 /nfs/dbraw/zinc/56/59/19/607565919.db2.gz WOSHSUANCQSXPU-DZGCQCFKSA-N -1 3 397.395 0.787 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@H]1CCc2nnc(C)n2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117996 607565920 /nfs/dbraw/zinc/56/59/20/607565920.db2.gz WOSHSUANCQSXPU-DZGCQCFKSA-N -1 3 397.395 0.787 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCc2nnc(C)n2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117997 607566274 /nfs/dbraw/zinc/56/62/74/607566274.db2.gz WOSHSUANCQSXPU-HIFRSBDPSA-N -1 3 397.395 0.787 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCc2nnc(C)n2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117997 607566276 /nfs/dbraw/zinc/56/62/76/607566276.db2.gz WOSHSUANCQSXPU-HIFRSBDPSA-N -1 3 397.395 0.787 20 0 GCADHM CCNC(=O)C(C)(C)CNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825465084 607571312 /nfs/dbraw/zinc/57/13/12/607571312.db2.gz HTFSMJFMNYXYLL-UHFFFAOYSA-N -1 3 375.433 0.837 20 0 GCADHM CCNC(=O)C(C)(C)CNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825465084 607571314 /nfs/dbraw/zinc/57/13/14/607571314.db2.gz HTFSMJFMNYXYLL-UHFFFAOYSA-N -1 3 375.433 0.837 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(c3cccnn3)CC2)cc1-c1nnn[n-]1 ZINC000826197923 607573024 /nfs/dbraw/zinc/57/30/24/607573024.db2.gz HFHQFEKNJUJCPY-UHFFFAOYSA-N -1 3 395.427 0.697 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(c3cccnn3)CC2)cc1-c1nn[n-]n1 ZINC000826197923 607573026 /nfs/dbraw/zinc/57/30/26/607573026.db2.gz HFHQFEKNJUJCPY-UHFFFAOYSA-N -1 3 395.427 0.697 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826197600 607573983 /nfs/dbraw/zinc/57/39/83/607573983.db2.gz WCJLTWWZSBJOHB-JTQLQIEISA-N -1 3 382.446 0.450 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826197600 607573985 /nfs/dbraw/zinc/57/39/85/607573985.db2.gz WCJLTWWZSBJOHB-JTQLQIEISA-N -1 3 382.446 0.450 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)CCO1 ZINC000825499400 607574221 /nfs/dbraw/zinc/57/42/21/607574221.db2.gz MILNGQZEXFPTNF-AWEZNQCLSA-N -1 3 390.400 0.349 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)CCO1 ZINC000825499400 607574223 /nfs/dbraw/zinc/57/42/23/607574223.db2.gz MILNGQZEXFPTNF-AWEZNQCLSA-N -1 3 390.400 0.349 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)CCO1 ZINC000825499401 607574329 /nfs/dbraw/zinc/57/43/29/607574329.db2.gz MILNGQZEXFPTNF-CQSZACIVSA-N -1 3 390.400 0.349 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)CCO1 ZINC000825499401 607574330 /nfs/dbraw/zinc/57/43/30/607574330.db2.gz MILNGQZEXFPTNF-CQSZACIVSA-N -1 3 390.400 0.349 20 0 GCADHM COc1ccc(CNC(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826197979 607576259 /nfs/dbraw/zinc/57/62/59/607576259.db2.gz IQNSXHSSKICTSR-XEUAEHQWSA-N -1 3 378.458 0.926 20 0 GCADHM COc1ccc(CNC(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)cc1-c1nn[n-]n1 ZINC000826197979 607576261 /nfs/dbraw/zinc/57/62/61/607576261.db2.gz IQNSXHSSKICTSR-XEUAEHQWSA-N -1 3 378.458 0.926 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825394462 607576599 /nfs/dbraw/zinc/57/65/99/607576599.db2.gz DNKLPMOUPFQKJR-NSHDSACASA-N -1 3 385.471 0.373 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825394462 607576601 /nfs/dbraw/zinc/57/66/01/607576601.db2.gz DNKLPMOUPFQKJR-NSHDSACASA-N -1 3 385.471 0.373 20 0 GCADHM O=C(NOCc1cccnc1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826449680 607577484 /nfs/dbraw/zinc/57/74/84/607577484.db2.gz FETLGTALDLCBHP-UHFFFAOYSA-N -1 3 381.400 0.620 20 0 GCADHM Cc1cccc(S(=O)(=O)Oc2ccc(-n3cnnn3)cc2)c1-c1nnn[n-]1 ZINC000826304699 607577370 /nfs/dbraw/zinc/57/73/70/607577370.db2.gz VENOVMDHIKCFLA-UHFFFAOYSA-N -1 3 384.381 0.919 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)NCc2ccco2)cc1-c1nnn[n-]1 ZINC000826197698 607579432 /nfs/dbraw/zinc/57/94/32/607579432.db2.gz ZYEQSJQRFDTENO-UHFFFAOYSA-N -1 3 385.384 0.584 20 0 GCADHM COc1ccc(CNC(=O)CNC(=O)NCc2ccco2)cc1-c1nn[n-]n1 ZINC000826197698 607579434 /nfs/dbraw/zinc/57/94/34/607579434.db2.gz ZYEQSJQRFDTENO-UHFFFAOYSA-N -1 3 385.384 0.584 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(OCC(N)=O)cc2)cc1-c1nnn[n-]1 ZINC000826201301 607580140 /nfs/dbraw/zinc/58/01/40/607580140.db2.gz JWCDYWWLVSLVHW-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM COc1ccc(CNC(=O)c2ccc(OCC(N)=O)cc2)cc1-c1nn[n-]n1 ZINC000826201301 607580141 /nfs/dbraw/zinc/58/01/41/607580141.db2.gz JWCDYWWLVSLVHW-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM O=C(NOCc1cccnc1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826449680 607577486 /nfs/dbraw/zinc/57/74/86/607577486.db2.gz FETLGTALDLCBHP-UHFFFAOYSA-N -1 3 381.400 0.620 20 0 GCADHM CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825464405 607583587 /nfs/dbraw/zinc/58/35/87/607583587.db2.gz COFFAGVSIWGKJZ-SSDOTTSWSA-N -1 3 392.363 0.688 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826428460 607583972 /nfs/dbraw/zinc/58/39/72/607583972.db2.gz CGETYKOGCBVUKO-GFCCVEGCSA-N -1 3 396.860 0.952 20 0 GCADHM CC(C)CN1CCO[C@@H](CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000824261667 607584658 /nfs/dbraw/zinc/58/46/58/607584658.db2.gz OGWXOUDDEZZHSE-LBPRGKRZSA-N -1 3 398.464 0.641 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NC[C@H]1CN2CCN1CC2 ZINC000826406314 607587812 /nfs/dbraw/zinc/58/78/12/607587812.db2.gz QWNDKLZLMDNSSM-INIZCTEOSA-N -1 3 385.472 0.532 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NC[C@H]1CN2CCN1CC2 ZINC000826406314 607587813 /nfs/dbraw/zinc/58/78/13/607587813.db2.gz QWNDKLZLMDNSSM-INIZCTEOSA-N -1 3 385.472 0.532 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NC[C@@H]1CN2CCN1CC2 ZINC000826406315 607588236 /nfs/dbraw/zinc/58/82/36/607588236.db2.gz QWNDKLZLMDNSSM-MRXNPFEDSA-N -1 3 385.472 0.532 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NC[C@@H]1CN2CCN1CC2 ZINC000826406315 607588238 /nfs/dbraw/zinc/58/82/38/607588238.db2.gz QWNDKLZLMDNSSM-MRXNPFEDSA-N -1 3 385.472 0.532 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000826437547 607588505 /nfs/dbraw/zinc/58/85/05/607588505.db2.gz PZDZEYRXQIKRFX-UHFFFAOYSA-N -1 3 378.439 0.637 20 0 GCADHM COc1ccc(CNC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1-c1nnn[n-]1 ZINC000826196662 607591111 /nfs/dbraw/zinc/59/11/11/607591111.db2.gz JVQYVVJAEPPFOQ-GFCCVEGCSA-N -1 3 398.427 0.408 20 0 GCADHM COc1ccc(CNC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1-c1nn[n-]n1 ZINC000826196662 607591112 /nfs/dbraw/zinc/59/11/12/607591112.db2.gz JVQYVVJAEPPFOQ-GFCCVEGCSA-N -1 3 398.427 0.408 20 0 GCADHM COc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1-c1nnn[n-]1 ZINC000826196402 607591277 /nfs/dbraw/zinc/59/12/77/607591277.db2.gz ACBAKRREIVILOH-UHFFFAOYSA-N -1 3 387.444 0.885 20 0 GCADHM COc1ccc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1-c1nn[n-]n1 ZINC000826196402 607591278 /nfs/dbraw/zinc/59/12/78/607591278.db2.gz ACBAKRREIVILOH-UHFFFAOYSA-N -1 3 387.444 0.885 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826196889 607592065 /nfs/dbraw/zinc/59/20/65/607592065.db2.gz RNAKZEMXABKBBD-CYBMUJFWSA-N -1 3 394.457 0.306 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826196889 607592066 /nfs/dbraw/zinc/59/20/66/607592066.db2.gz RNAKZEMXABKBBD-CYBMUJFWSA-N -1 3 394.457 0.306 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)NCC(F)(F)F ZINC000826413298 607592955 /nfs/dbraw/zinc/59/29/55/607592955.db2.gz ZQKMUYPXZJROLQ-UHFFFAOYSA-N -1 3 398.754 0.477 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)NCC(F)(F)F ZINC000826413298 607592957 /nfs/dbraw/zinc/59/29/57/607592957.db2.gz ZQKMUYPXZJROLQ-UHFFFAOYSA-N -1 3 398.754 0.477 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825034886 607594100 /nfs/dbraw/zinc/59/41/00/607594100.db2.gz SMQXVPSRZDARAI-UHFFFAOYSA-N -1 3 382.421 0.639 20 0 GCADHM O=S(=O)(NC[C@H]1COCCO1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826490605 607594760 /nfs/dbraw/zinc/59/47/60/607594760.db2.gz ATOWGNNPGGKSLY-VIFPVBQESA-N -1 3 393.347 0.579 20 0 GCADHM COc1ccc(COC(=O)Cn2cnc3c(cnn3C)c2=O)cc1-c1nnn[n-]1 ZINC000826205678 607598970 /nfs/dbraw/zinc/59/89/70/607598970.db2.gz HCGMCIGNXFDTFI-UHFFFAOYSA-N -1 3 396.367 0.062 20 0 GCADHM COc1ccc(COC(=O)Cn2cnc3c(cnn3C)c2=O)cc1-c1nn[n-]n1 ZINC000826205678 607598971 /nfs/dbraw/zinc/59/89/71/607598971.db2.gz HCGMCIGNXFDTFI-UHFFFAOYSA-N -1 3 396.367 0.062 20 0 GCADHM NS(=O)(=O)c1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1F ZINC000826394245 607601764 /nfs/dbraw/zinc/60/17/64/607601764.db2.gz CMJATBHIBFQVEM-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM CCOC(=O)N1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000825518001 607601854 /nfs/dbraw/zinc/60/18/54/607601854.db2.gz RRMOQLUUPUCYSX-UHFFFAOYSA-N -1 3 380.430 0.720 20 0 GCADHM CCOC(=O)N1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000825518001 607601855 /nfs/dbraw/zinc/60/18/55/607601855.db2.gz RRMOQLUUPUCYSX-UHFFFAOYSA-N -1 3 380.430 0.720 20 0 GCADHM COc1ccc(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)c(C(N)=O)c1 ZINC000826211391 607602486 /nfs/dbraw/zinc/60/24/86/607602486.db2.gz ALMSBVMMBXXWGK-UHFFFAOYSA-N -1 3 375.366 0.742 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)CCC1CC1 ZINC000824634233 607603464 /nfs/dbraw/zinc/60/34/64/607603464.db2.gz UBALICZRAMYMTP-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CCC1CC1 ZINC000824634233 607603466 /nfs/dbraw/zinc/60/34/66/607603466.db2.gz UBALICZRAMYMTP-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000824640590 607604013 /nfs/dbraw/zinc/60/40/13/607604013.db2.gz LSLXXBNJZKZZLW-RYUDHWBXSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000824640590 607604015 /nfs/dbraw/zinc/60/40/15/607604015.db2.gz LSLXXBNJZKZZLW-RYUDHWBXSA-N -1 3 378.458 0.935 20 0 GCADHM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825838798 607604640 /nfs/dbraw/zinc/60/46/40/607604640.db2.gz CFOFBOCWRLUVMT-SNVBAGLBSA-N -1 3 386.434 0.158 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C1=O ZINC000825164852 607606741 /nfs/dbraw/zinc/60/67/41/607606741.db2.gz KXAVHLMVAIABCH-KRWDZBQOSA-N -1 3 387.400 0.212 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C1=O ZINC000825164852 607606743 /nfs/dbraw/zinc/60/67/43/607606743.db2.gz KXAVHLMVAIABCH-KRWDZBQOSA-N -1 3 387.400 0.212 20 0 GCADHM COc1ccc(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)cc1-c1nnn[n-]1 ZINC000826195862 607608282 /nfs/dbraw/zinc/60/82/82/607608282.db2.gz IGHSJCXLYAEQCU-ZDUSSCGKSA-N -1 3 382.446 0.065 20 0 GCADHM COc1ccc(CNC(=O)[C@@H](NS(C)(=O)=O)C(C)C)cc1-c1nn[n-]n1 ZINC000826195862 607608284 /nfs/dbraw/zinc/60/82/84/607608284.db2.gz IGHSJCXLYAEQCU-ZDUSSCGKSA-N -1 3 382.446 0.065 20 0 GCADHM COCCN1CCC[C@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826159806 607610659 /nfs/dbraw/zinc/61/06/59/607610659.db2.gz SUUYDPKEDZDXOO-LBPRGKRZSA-N -1 3 384.437 0.395 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1nnc2n1CCC2 ZINC000824640957 607611266 /nfs/dbraw/zinc/61/12/66/607611266.db2.gz QHGHQUVNAJFGPX-MRVPVSSYSA-N -1 3 378.393 0.583 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825399395 607612805 /nfs/dbraw/zinc/61/28/05/607612805.db2.gz RZPPKLLBPVGZET-ZDUSSCGKSA-N -1 3 378.458 0.888 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825399395 607612807 /nfs/dbraw/zinc/61/28/07/607612807.db2.gz RZPPKLLBPVGZET-ZDUSSCGKSA-N -1 3 378.458 0.888 20 0 GCADHM CN1CCN(C)[C@@H](CNS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000826038373 607613250 /nfs/dbraw/zinc/61/32/50/607613250.db2.gz MAVOSZIVMUNXHZ-JTQLQIEISA-N -1 3 385.881 0.044 20 0 GCADHM CN1CCN(C)[C@@H](CNS(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000826038373 607613252 /nfs/dbraw/zinc/61/32/52/607613252.db2.gz MAVOSZIVMUNXHZ-JTQLQIEISA-N -1 3 385.881 0.044 20 0 GCADHM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826497065 607614217 /nfs/dbraw/zinc/61/42/17/607614217.db2.gz SXXUFPOFZHOLSD-SECBINFHSA-N -1 3 391.862 0.376 20 0 GCADHM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826497065 607614218 /nfs/dbraw/zinc/61/42/18/607614218.db2.gz SXXUFPOFZHOLSD-SECBINFHSA-N -1 3 391.862 0.376 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCCO1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826491508 607618013 /nfs/dbraw/zinc/61/80/13/607618013.db2.gz MLKBTFAAUTXRKN-NSHDSACASA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(NCCOC[C@@H]1CCCO1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826491508 607618015 /nfs/dbraw/zinc/61/80/15/607618015.db2.gz MLKBTFAAUTXRKN-NSHDSACASA-N -1 3 387.849 0.994 20 0 GCADHM CN(CCCN1CCN(C)CC1)S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826038859 607618803 /nfs/dbraw/zinc/61/88/03/607618803.db2.gz ZKGXEZGZFPMREG-UHFFFAOYSA-N -1 3 397.480 0.264 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826111394 607619683 /nfs/dbraw/zinc/61/96/83/607619683.db2.gz DTYZNODDYRZBDV-CYBMUJFWSA-N -1 3 378.364 0.784 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826111394 607619686 /nfs/dbraw/zinc/61/96/86/607619686.db2.gz DTYZNODDYRZBDV-CYBMUJFWSA-N -1 3 378.364 0.784 20 0 GCADHM COc1ccc(CNC(=O)Nc2cnc(OC)c(C(N)=O)c2)cc1-c1nnn[n-]1 ZINC000826200469 607620411 /nfs/dbraw/zinc/62/04/11/607620411.db2.gz RFELPKBFSNYMHX-UHFFFAOYSA-N -1 3 398.383 0.700 20 0 GCADHM COc1ccc(CNC(=O)Nc2cnc(OC)c(C(N)=O)c2)cc1-c1nn[n-]n1 ZINC000826200469 607620412 /nfs/dbraw/zinc/62/04/12/607620412.db2.gz RFELPKBFSNYMHX-UHFFFAOYSA-N -1 3 398.383 0.700 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000826111259 607621360 /nfs/dbraw/zinc/62/13/60/607621360.db2.gz BTDAGXBZTMGUNH-CQSZACIVSA-N -1 3 392.391 0.461 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826111259 607621363 /nfs/dbraw/zinc/62/13/63/607621363.db2.gz BTDAGXBZTMGUNH-CQSZACIVSA-N -1 3 392.391 0.461 20 0 GCADHM COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H]1CCCN(C(=O)[O-])C1 ZINC000737993996 603318170 /nfs/dbraw/zinc/31/81/70/603318170.db2.gz DVJLVQYLQADQSI-ZDUSSCGKSA-N -1 3 378.429 0.954 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000826111258 607621796 /nfs/dbraw/zinc/62/17/96/607621796.db2.gz BTDAGXBZTMGUNH-AWEZNQCLSA-N -1 3 392.391 0.461 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826111258 607621797 /nfs/dbraw/zinc/62/17/97/607621797.db2.gz BTDAGXBZTMGUNH-AWEZNQCLSA-N -1 3 392.391 0.461 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826111680 607623097 /nfs/dbraw/zinc/62/30/97/607623097.db2.gz JVZBHORYADSXAF-ABAIWWIYSA-N -1 3 388.428 0.883 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826111680 607623099 /nfs/dbraw/zinc/62/30/99/607623099.db2.gz JVZBHORYADSXAF-ABAIWWIYSA-N -1 3 388.428 0.883 20 0 GCADHM CCN(C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000825376938 607623790 /nfs/dbraw/zinc/62/37/90/607623790.db2.gz QABVGLSZEPOQRZ-LBPRGKRZSA-N -1 3 394.457 0.594 20 0 GCADHM CCN(C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000825376938 607623791 /nfs/dbraw/zinc/62/37/91/607623791.db2.gz QABVGLSZEPOQRZ-LBPRGKRZSA-N -1 3 394.457 0.594 20 0 GCADHM COc1ccc(CNC(=O)NCc2ccc(C(N)=O)nc2)cc1-c1nnn[n-]1 ZINC000826199736 607623872 /nfs/dbraw/zinc/62/38/72/607623872.db2.gz KFMWEIITCUTFRY-UHFFFAOYSA-N -1 3 382.384 0.369 20 0 GCADHM COc1ccc(CNC(=O)NCc2ccc(C(N)=O)nc2)cc1-c1nn[n-]n1 ZINC000826199736 607623874 /nfs/dbraw/zinc/62/38/74/607623874.db2.gz KFMWEIITCUTFRY-UHFFFAOYSA-N -1 3 382.384 0.369 20 0 GCADHM O=S(=O)(N[C@H](CO)Cc1ccccc1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826487144 607623867 /nfs/dbraw/zinc/62/38/67/607623867.db2.gz FJXQRXIWUSTXDT-LBPRGKRZSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(N[C@H](CO)Cc1ccccc1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826487144 607623869 /nfs/dbraw/zinc/62/38/69/607623869.db2.gz FJXQRXIWUSTXDT-LBPRGKRZSA-N -1 3 377.401 0.888 20 0 GCADHM CCc1nnc2n1CCN(C(=O)NCc1ccc(OC)c(-c3nnn[n-]3)c1)C2 ZINC000825771281 607625722 /nfs/dbraw/zinc/62/57/22/607625722.db2.gz JHOXXUIALITKMY-UHFFFAOYSA-N -1 3 383.416 0.755 20 0 GCADHM CCc1nnc2n1CCN(C(=O)NCc1ccc(OC)c(-c3nn[n-]n3)c1)C2 ZINC000825771281 607625723 /nfs/dbraw/zinc/62/57/23/607625723.db2.gz JHOXXUIALITKMY-UHFFFAOYSA-N -1 3 383.416 0.755 20 0 GCADHM COc1ccc(CNC(=O)CCc2nc(-c3nc[nH]n3)no2)cc1-c1nnn[n-]1 ZINC000826196827 607627453 /nfs/dbraw/zinc/62/74/53/607627453.db2.gz PTJFGIRAWPRNAT-UHFFFAOYSA-N -1 3 396.371 0.292 20 0 GCADHM COc1ccc(CNC(=O)CCc2nc(-c3nc[nH]n3)no2)cc1-c1nn[n-]n1 ZINC000826196827 607627454 /nfs/dbraw/zinc/62/74/54/607627454.db2.gz PTJFGIRAWPRNAT-UHFFFAOYSA-N -1 3 396.371 0.292 20 0 GCADHM CCc1ncsc1NC(=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000825754999 607629439 /nfs/dbraw/zinc/62/94/39/607629439.db2.gz MSXDNWRFVGTJBK-UHFFFAOYSA-N -1 3 387.429 0.447 20 0 GCADHM CCc1ncsc1NC(=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000825754999 607629441 /nfs/dbraw/zinc/62/94/41/607629441.db2.gz MSXDNWRFVGTJBK-UHFFFAOYSA-N -1 3 387.429 0.447 20 0 GCADHM CCc1ncsc1NC(=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000825755303 607630522 /nfs/dbraw/zinc/63/05/22/607630522.db2.gz SEMWHRGLYROQMF-UHFFFAOYSA-N -1 3 387.429 0.447 20 0 GCADHM CCc1ncsc1NC(=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000825755303 607630523 /nfs/dbraw/zinc/63/05/23/607630523.db2.gz SEMWHRGLYROQMF-UHFFFAOYSA-N -1 3 387.429 0.447 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)S(C)(=O)=O ZINC000824427406 607819172 /nfs/dbraw/zinc/81/91/72/607819172.db2.gz MSVXZIAPFJTASX-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)S(C)(=O)=O ZINC000824427406 607819173 /nfs/dbraw/zinc/81/91/73/607819173.db2.gz MSVXZIAPFJTASX-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM O=S(=O)(NC[C@H](O)Cc1ccccc1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826488834 607632546 /nfs/dbraw/zinc/63/25/46/607632546.db2.gz AAHCPAPDFSDMSM-CYBMUJFWSA-N -1 3 377.401 0.888 20 0 GCADHM COC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826148448 607635824 /nfs/dbraw/zinc/63/58/24/607635824.db2.gz IWFDTZHUPZIRDS-LBPRGKRZSA-N -1 3 395.363 0.561 20 0 GCADHM COC[C@@](C)(O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826148448 607635825 /nfs/dbraw/zinc/63/58/25/607635825.db2.gz IWFDTZHUPZIRDS-LBPRGKRZSA-N -1 3 395.363 0.561 20 0 GCADHM O=S(=O)(N[C@@H](CO)C1CC1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826487098 607638652 /nfs/dbraw/zinc/63/86/52/607638652.db2.gz CVOBWNSYTYQYPX-JTQLQIEISA-N -1 3 377.348 0.935 20 0 GCADHM CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826227730 607640043 /nfs/dbraw/zinc/64/00/43/607640043.db2.gz WQPZHSXGZZHNBL-LBPRGKRZSA-N -1 3 377.879 0.912 20 0 GCADHM CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826227730 607640044 /nfs/dbraw/zinc/64/00/44/607640044.db2.gz WQPZHSXGZZHNBL-LBPRGKRZSA-N -1 3 377.879 0.912 20 0 GCADHM O=C1[C@H](N(CCO)Cc2cccnc2)CCN1c1sccc1-c1nnn[n-]1 ZINC000826476986 607641889 /nfs/dbraw/zinc/64/18/89/607641889.db2.gz STAWIVLBALSWNF-CQSZACIVSA-N -1 3 385.453 0.923 20 0 GCADHM O=C1[C@H](N(CCO)Cc2cccnc2)CCN1c1sccc1-c1nn[n-]n1 ZINC000826476986 607641891 /nfs/dbraw/zinc/64/18/91/607641891.db2.gz STAWIVLBALSWNF-CQSZACIVSA-N -1 3 385.453 0.923 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826302825 607642811 /nfs/dbraw/zinc/64/28/11/607642811.db2.gz TXOSAWVHLXCWOE-VXGBXAGGSA-N -1 3 399.498 0.809 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826302825 607642814 /nfs/dbraw/zinc/64/28/14/607642814.db2.gz TXOSAWVHLXCWOE-VXGBXAGGSA-N -1 3 399.498 0.809 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826222536 607642953 /nfs/dbraw/zinc/64/29/53/607642953.db2.gz ZWESQLZRPAMGFW-WDEREUQCSA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826222536 607642954 /nfs/dbraw/zinc/64/29/54/607642954.db2.gz ZWESQLZRPAMGFW-WDEREUQCSA-N -1 3 385.471 0.501 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(O)c1 ZINC000824641169 607643883 /nfs/dbraw/zinc/64/38/83/607643883.db2.gz SNUPQRJGXWCBTO-SNVBAGLBSA-N -1 3 388.409 0.878 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(O)c1 ZINC000824641169 607643885 /nfs/dbraw/zinc/64/38/85/607643885.db2.gz SNUPQRJGXWCBTO-SNVBAGLBSA-N -1 3 388.409 0.878 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000824706067 607648559 /nfs/dbraw/zinc/64/85/59/607648559.db2.gz GJDMAPXGEIDWBT-QWRGUYRKSA-N -1 3 384.437 0.081 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000824706067 607648561 /nfs/dbraw/zinc/64/85/61/607648561.db2.gz GJDMAPXGEIDWBT-QWRGUYRKSA-N -1 3 384.437 0.081 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000826279521 607648777 /nfs/dbraw/zinc/64/87/77/607648777.db2.gz SMOZAWFJDQDDGG-QWHCGFSZSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000826279521 607648778 /nfs/dbraw/zinc/64/87/78/607648778.db2.gz SMOZAWFJDQDDGG-QWHCGFSZSA-N -1 3 380.474 0.251 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000826244956 607653343 /nfs/dbraw/zinc/65/33/43/607653343.db2.gz IYGLDIJOJLIXNU-CYBMUJFWSA-N -1 3 383.456 0.600 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000826244956 607653344 /nfs/dbraw/zinc/65/33/44/607653344.db2.gz IYGLDIJOJLIXNU-CYBMUJFWSA-N -1 3 383.456 0.600 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826302056 607649518 /nfs/dbraw/zinc/64/95/18/607649518.db2.gz YYMKSNDWRUHPEZ-STQMWFEESA-N -1 3 380.474 0.251 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826302056 607649520 /nfs/dbraw/zinc/64/95/20/607649520.db2.gz YYMKSNDWRUHPEZ-STQMWFEESA-N -1 3 380.474 0.251 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1C[C@@H](C)O ZINC000825213446 607651116 /nfs/dbraw/zinc/65/11/16/607651116.db2.gz YIFUPGRQGWDHPE-CHWSQXEVSA-N -1 3 380.474 0.332 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1C[C@@H](C)O ZINC000825213446 607651117 /nfs/dbraw/zinc/65/11/17/607651117.db2.gz YIFUPGRQGWDHPE-CHWSQXEVSA-N -1 3 380.474 0.332 20 0 GCADHM Cn1cc(CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(C(F)(F)F)n1 ZINC000826361332 607651981 /nfs/dbraw/zinc/65/19/81/607651981.db2.gz TWYYRPYYXRSYOQ-NSHDSACASA-N -1 3 380.334 0.935 20 0 GCADHM Cn1cc(CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)n1 ZINC000826361332 607651982 /nfs/dbraw/zinc/65/19/82/607651982.db2.gz TWYYRPYYXRSYOQ-NSHDSACASA-N -1 3 380.334 0.935 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCN1C[C@H](C)O ZINC000825210302 607652267 /nfs/dbraw/zinc/65/22/67/607652267.db2.gz GDYYLBIXRKTGFN-ZFWWWQNUSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCN1C[C@H](C)O ZINC000825210302 607652268 /nfs/dbraw/zinc/65/22/68/607652268.db2.gz GDYYLBIXRKTGFN-ZFWWWQNUSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCN1C[C@@H](C)O ZINC000825210922 607652548 /nfs/dbraw/zinc/65/25/48/607652548.db2.gz KCMMQWYUNRNFGG-YPMHNXCESA-N -1 3 398.464 0.472 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCN1C[C@@H](C)O ZINC000825210922 607652550 /nfs/dbraw/zinc/65/25/50/607652550.db2.gz KCMMQWYUNRNFGG-YPMHNXCESA-N -1 3 398.464 0.472 20 0 GCADHM CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825499887 607652615 /nfs/dbraw/zinc/65/26/15/607652615.db2.gz WYBHKXDTYRFMIS-UHFFFAOYSA-N -1 3 399.404 0.085 20 0 GCADHM CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825499887 607652617 /nfs/dbraw/zinc/65/26/17/607652617.db2.gz WYBHKXDTYRFMIS-UHFFFAOYSA-N -1 3 399.404 0.085 20 0 GCADHM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826479503 607661116 /nfs/dbraw/zinc/66/11/16/607661116.db2.gz AAVUYGZNUWHYOS-ZJUUUORDSA-N -1 3 382.833 0.562 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CCO[C@@H](CO)C1 ZINC000826493944 607666036 /nfs/dbraw/zinc/66/60/36/607666036.db2.gz JWUDGQQMQJSTLX-MRVPVSSYSA-N -1 3 393.347 0.267 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CCO[C@@H](CO)C1 ZINC000826493944 607666038 /nfs/dbraw/zinc/66/60/38/607666038.db2.gz JWUDGQQMQJSTLX-MRVPVSSYSA-N -1 3 393.347 0.267 20 0 GCADHM CC1(C)CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCS1(=O)=O ZINC000824813421 607669147 /nfs/dbraw/zinc/66/91/47/607669147.db2.gz YHXGUKPPZJYPAK-UHFFFAOYSA-N -1 3 389.434 0.204 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCOC1 ZINC000826123751 607669697 /nfs/dbraw/zinc/66/96/97/607669697.db2.gz IQDPCFDURUPVSU-CYBMUJFWSA-N -1 3 387.805 0.131 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCOC1 ZINC000826123751 607669698 /nfs/dbraw/zinc/66/96/98/607669698.db2.gz IQDPCFDURUPVSU-CYBMUJFWSA-N -1 3 387.805 0.131 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2C(N)=O)c1-c1nnn[n-]1 ZINC000826302632 607670510 /nfs/dbraw/zinc/67/05/10/607670510.db2.gz OHYZTTPTBLOCSL-NEPJUHHUSA-N -1 3 378.458 0.888 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H]2CCCCC[C@H]2C(N)=O)c1-c1nn[n-]n1 ZINC000826302632 607670512 /nfs/dbraw/zinc/67/05/12/607670512.db2.gz OHYZTTPTBLOCSL-NEPJUHHUSA-N -1 3 378.458 0.888 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@H]1NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826389995 607671155 /nfs/dbraw/zinc/67/11/55/607671155.db2.gz NKNUCRQVCMGKKC-CMPLNLGQSA-N -1 3 382.421 0.718 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@H]2CCCC[C@H]2N1 ZINC000826481118 607671485 /nfs/dbraw/zinc/67/14/85/607671485.db2.gz IHOAJDADJGWPDG-NEPJUHHUSA-N -1 3 380.405 0.438 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824406157 607672996 /nfs/dbraw/zinc/67/29/96/607672996.db2.gz DSCZUXCHFIUIRJ-MRVPVSSYSA-N -1 3 377.423 0.107 20 0 GCADHM O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1-c1nnn[n-]1 ZINC000826488614 607674020 /nfs/dbraw/zinc/67/40/20/607674020.db2.gz UUJCFCGHKNNAJL-HUUCEWRRSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1ccccc1-c1nn[n-]n1 ZINC000826488614 607674021 /nfs/dbraw/zinc/67/40/21/607674021.db2.gz UUJCFCGHKNNAJL-HUUCEWRRSA-N -1 3 392.485 0.788 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)[S@@](C)=O ZINC000824402785 607674850 /nfs/dbraw/zinc/67/48/50/607674850.db2.gz YQVKTEOBCGRPKM-CWMRNNLJSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)[S@@](C)=O ZINC000824402785 607674852 /nfs/dbraw/zinc/67/48/52/607674852.db2.gz YQVKTEOBCGRPKM-CWMRNNLJSA-N -1 3 377.879 0.956 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826102995 607675233 /nfs/dbraw/zinc/67/52/33/607675233.db2.gz BKUSCGQHXMAQBO-GFCCVEGCSA-N -1 3 397.457 0.762 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826102995 607675235 /nfs/dbraw/zinc/67/52/35/607675235.db2.gz BKUSCGQHXMAQBO-GFCCVEGCSA-N -1 3 397.457 0.762 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825583901 607676284 /nfs/dbraw/zinc/67/62/84/607676284.db2.gz YIXPLMUDCOVJMG-LLVKDONJSA-N -1 3 383.430 0.374 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825583901 607676285 /nfs/dbraw/zinc/67/62/85/607676285.db2.gz YIXPLMUDCOVJMG-LLVKDONJSA-N -1 3 383.430 0.374 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000826472028 607686407 /nfs/dbraw/zinc/68/64/07/607686407.db2.gz VDHVNAYCJXRQNK-UHFFFAOYSA-N -1 3 395.423 0.924 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000826472028 607686409 /nfs/dbraw/zinc/68/64/09/607686409.db2.gz VDHVNAYCJXRQNK-UHFFFAOYSA-N -1 3 395.423 0.924 20 0 GCADHM CCOC(=O)NCCCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000825522527 607690436 /nfs/dbraw/zinc/69/04/36/607690436.db2.gz GZQDCGQLOFQRAI-UHFFFAOYSA-N -1 3 388.432 0.437 20 0 GCADHM CCOC(=O)NCCCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000825522527 607690437 /nfs/dbraw/zinc/69/04/37/607690437.db2.gz GZQDCGQLOFQRAI-UHFFFAOYSA-N -1 3 388.432 0.437 20 0 GCADHM C[C@H]1CN(S(=O)(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)C[C@H](C)O1 ZINC000824993657 607690536 /nfs/dbraw/zinc/69/05/36/607690536.db2.gz RFZXJJZOMGFJSZ-RYUDHWBXSA-N -1 3 378.458 0.799 20 0 GCADHM C[C@H]1CN(S(=O)(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)C[C@H](C)O1 ZINC000824993657 607690538 /nfs/dbraw/zinc/69/05/38/607690538.db2.gz RFZXJJZOMGFJSZ-RYUDHWBXSA-N -1 3 378.458 0.799 20 0 GCADHM NC(=O)c1ccc(S(=O)(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826393571 607691155 /nfs/dbraw/zinc/69/11/55/607691155.db2.gz YIIGEFUITVMHRJ-UHFFFAOYSA-N -1 3 384.421 0.933 20 0 GCADHM NC(=O)c1ccc(S(=O)(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826393571 607691156 /nfs/dbraw/zinc/69/11/56/607691156.db2.gz YIIGEFUITVMHRJ-UHFFFAOYSA-N -1 3 384.421 0.933 20 0 GCADHM Cc1ccc(NC(=O)NC(=O)CNC2(C(=O)[O-])CCS(=O)(=O)CC2)cc1C ZINC000832945590 604436977 /nfs/dbraw/zinc/43/69/77/604436977.db2.gz GXRYHGWDXIFYGJ-UHFFFAOYSA-N -1 3 397.453 0.573 20 0 GCADHM Cn1c(=O)c(C(=O)CNC(C)(C)CC(=O)[O-])c(N)n(Cc2ccccc2)c1=O ZINC000833037537 604442953 /nfs/dbraw/zinc/44/29/53/604442953.db2.gz DPTGRKJDGWABKO-UHFFFAOYSA-N -1 3 388.424 0.203 20 0 GCADHM 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0.592 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CCNS(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000825530722 607761041 /nfs/dbraw/zinc/76/10/41/607761041.db2.gz DPJOYIHGYWAWNY-UHFFFAOYSA-N -1 3 397.417 0.313 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CCNS(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000825530722 607761042 /nfs/dbraw/zinc/76/10/42/607761042.db2.gz DPJOYIHGYWAWNY-UHFFFAOYSA-N -1 3 397.417 0.313 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCCC(=O)NC)cc1-c1nnn[n-]1 ZINC000825539926 607765557 /nfs/dbraw/zinc/76/55/57/607765557.db2.gz SBVSMEMDMWXLIY-UHFFFAOYSA-N -1 3 376.377 0.693 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCCC(=O)NC)cc1-c1nn[n-]n1 ZINC000825539926 607765558 /nfs/dbraw/zinc/76/55/58/607765558.db2.gz SBVSMEMDMWXLIY-UHFFFAOYSA-N -1 3 376.377 0.693 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N2CCNC(=O)[C@@H]2C)cc1-c1nnn[n-]1 ZINC000825538819 607767224 /nfs/dbraw/zinc/76/72/24/607767224.db2.gz KLXMYDYSMUEBHT-VIFPVBQESA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N2CCNC(=O)[C@@H]2C)cc1-c1nn[n-]n1 ZINC000825538819 607767225 /nfs/dbraw/zinc/76/72/25/607767225.db2.gz KLXMYDYSMUEBHT-VIFPVBQESA-N -1 3 388.388 0.787 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-])CN1CCN(C)CC1 ZINC000833516908 605918794 /nfs/dbraw/zinc/91/87/94/605918794.db2.gz BEIAQZHNCRZIRH-GFCCVEGCSA-N -1 3 396.875 0.976 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-])CN1CCN(C)CC1 ZINC000833517485 605919047 /nfs/dbraw/zinc/91/90/47/605919047.db2.gz PMQFNUDLELNMNH-LBPRGKRZSA-N -1 3 396.875 0.976 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)[O-])CN1CCN(C)CC1 ZINC000833516909 605919081 /nfs/dbraw/zinc/91/90/81/605919081.db2.gz BEIAQZHNCRZIRH-LBPRGKRZSA-N -1 3 396.875 0.976 20 0 GCADHM O=C(CN1CCN(c2nc3ccccc3cc2-c2nnn[n-]2)CC1)NC1CC1 ZINC000822998114 606031935 /nfs/dbraw/zinc/03/19/35/606031935.db2.gz ZEUVNPJTYXEHOG-UHFFFAOYSA-N -1 3 378.440 0.816 20 0 GCADHM O=C(CN1CCN(c2nc3ccccc3cc2-c2nn[n-]n2)CC1)NC1CC1 ZINC000822998114 606031939 /nfs/dbraw/zinc/03/19/39/606031939.db2.gz ZEUVNPJTYXEHOG-UHFFFAOYSA-N -1 3 378.440 0.816 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000821613655 606033578 /nfs/dbraw/zinc/03/35/78/606033578.db2.gz WYOHLPMVUFCHKU-INIZCTEOSA-N -1 3 394.439 0.607 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O ZINC000821613655 606033584 /nfs/dbraw/zinc/03/35/84/606033584.db2.gz WYOHLPMVUFCHKU-INIZCTEOSA-N -1 3 394.439 0.607 20 0 GCADHM CNC(=O)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)nn1 ZINC000821635147 606034884 /nfs/dbraw/zinc/03/48/84/606034884.db2.gz OGCBZUITGYOXNX-UHFFFAOYSA-N -1 3 383.391 0.482 20 0 GCADHM O=S(=O)(N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)N1CCCCCC1 ZINC000823567068 606037155 /nfs/dbraw/zinc/03/71/55/606037155.db2.gz OMQWVSLEMWOKMO-UHFFFAOYSA-N -1 3 392.489 0.505 20 0 GCADHM O=S(=O)(N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)N1CCCCCC1 ZINC000823567068 606037160 /nfs/dbraw/zinc/03/71/60/606037160.db2.gz OMQWVSLEMWOKMO-UHFFFAOYSA-N -1 3 392.489 0.505 20 0 GCADHM CNC(=O)CC1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821631247 606058176 /nfs/dbraw/zinc/05/81/76/606058176.db2.gz CIRYLSBRDFWOKA-UHFFFAOYSA-N -1 3 387.448 0.231 20 0 GCADHM CNC(=O)CC1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821631247 606058182 /nfs/dbraw/zinc/05/81/82/606058182.db2.gz CIRYLSBRDFWOKA-UHFFFAOYSA-N -1 3 387.448 0.231 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)Nc1nccn(C)c1=O ZINC000821701365 606062028 /nfs/dbraw/zinc/06/20/28/606062028.db2.gz LWXJPCQKPOQHNM-UHFFFAOYSA-N -1 3 385.384 0.767 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1nccn(C)c1=O ZINC000821701365 606062034 /nfs/dbraw/zinc/06/20/34/606062034.db2.gz LWXJPCQKPOQHNM-UHFFFAOYSA-N -1 3 385.384 0.767 20 0 GCADHM CN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)Cc1nnc2ccccn21 ZINC000821592600 606075015 /nfs/dbraw/zinc/07/50/15/606075015.db2.gz MMEIJLLVXPVABL-UHFFFAOYSA-N -1 3 377.412 0.658 20 0 GCADHM CN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)Cc1nnc2ccccn21 ZINC000821592600 606075021 /nfs/dbraw/zinc/07/50/21/606075021.db2.gz MMEIJLLVXPVABL-UHFFFAOYSA-N -1 3 377.412 0.658 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000819875638 606090085 /nfs/dbraw/zinc/09/00/85/606090085.db2.gz ARDMVRJHLHWUSE-GFCCVEGCSA-N -1 3 386.460 0.075 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000819875638 606090088 /nfs/dbraw/zinc/09/00/88/606090088.db2.gz ARDMVRJHLHWUSE-GFCCVEGCSA-N -1 3 386.460 0.075 20 0 GCADHM Cc1nsc(N2CCN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000822530526 606093904 /nfs/dbraw/zinc/09/39/04/606093904.db2.gz FUNIMVVBVUBOBW-UHFFFAOYSA-N -1 3 399.484 0.465 20 0 GCADHM Cc1nsc(N2CCN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000822530526 606093911 /nfs/dbraw/zinc/09/39/11/606093911.db2.gz FUNIMVVBVUBOBW-UHFFFAOYSA-N -1 3 399.484 0.465 20 0 GCADHM Cn1ccnc(N2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)c1=O ZINC000822694180 606097165 /nfs/dbraw/zinc/09/71/65/606097165.db2.gz YBSKLUYPRQXLEZ-UHFFFAOYSA-N -1 3 389.423 0.835 20 0 GCADHM Cn1ccnc(N2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)c1=O ZINC000822694180 606097169 /nfs/dbraw/zinc/09/71/69/606097169.db2.gz YBSKLUYPRQXLEZ-UHFFFAOYSA-N -1 3 389.423 0.835 20 0 GCADHM CC(C)(O)CCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819992089 606099175 /nfs/dbraw/zinc/09/91/75/606099175.db2.gz QCUHYILFAFRSJS-UHFFFAOYSA-N -1 3 380.474 0.334 20 0 GCADHM CC(C)(O)CCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819992089 606099178 /nfs/dbraw/zinc/09/91/78/606099178.db2.gz QCUHYILFAFRSJS-UHFFFAOYSA-N -1 3 380.474 0.334 20 0 GCADHM CNC(=O)[C@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000821631911 606111975 /nfs/dbraw/zinc/11/19/75/606111975.db2.gz XLFSOPBHABRUSM-NSHDSACASA-N -1 3 377.474 0.942 20 0 GCADHM CNC(=O)[C@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000821631911 606111977 /nfs/dbraw/zinc/11/19/77/606111977.db2.gz XLFSOPBHABRUSM-NSHDSACASA-N -1 3 377.474 0.942 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000819922575 606112397 /nfs/dbraw/zinc/11/23/97/606112397.db2.gz MKMNSZMEGLVPMA-KGLIPLIRSA-N -1 3 388.428 0.436 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000819922575 606112399 /nfs/dbraw/zinc/11/23/99/606112399.db2.gz MKMNSZMEGLVPMA-KGLIPLIRSA-N -1 3 388.428 0.436 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000819922574 606112514 /nfs/dbraw/zinc/11/25/14/606112514.db2.gz MKMNSZMEGLVPMA-KBPBESRZSA-N -1 3 388.428 0.436 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000819922574 606112515 /nfs/dbraw/zinc/11/25/15/606112515.db2.gz MKMNSZMEGLVPMA-KBPBESRZSA-N -1 3 388.428 0.436 20 0 GCADHM CCc1nc(CN2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000821510122 606113704 /nfs/dbraw/zinc/11/37/04/606113704.db2.gz XHAQBEOGUHAMDF-UHFFFAOYSA-N -1 3 397.443 0.568 20 0 GCADHM CCc1nc(CN2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000821510122 606113705 /nfs/dbraw/zinc/11/37/05/606113705.db2.gz XHAQBEOGUHAMDF-UHFFFAOYSA-N -1 3 397.443 0.568 20 0 GCADHM O=C(Cn1cccnc1=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823123172 606114488 /nfs/dbraw/zinc/11/44/88/606114488.db2.gz QMUNBMATZJXAMY-UHFFFAOYSA-N -1 3 380.412 0.209 20 0 GCADHM O=C(Cn1cccnc1=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823123172 606114490 /nfs/dbraw/zinc/11/44/90/606114490.db2.gz QMUNBMATZJXAMY-UHFFFAOYSA-N -1 3 380.412 0.209 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCO[C@@H](CO)C1 ZINC000819877240 606116784 /nfs/dbraw/zinc/11/67/84/606116784.db2.gz RRZGIVBTFFLCKS-VHSXEESVSA-N -1 3 378.458 0.437 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCO[C@@H](CO)C1 ZINC000819877240 606116786 /nfs/dbraw/zinc/11/67/86/606116786.db2.gz RRZGIVBTFFLCKS-VHSXEESVSA-N -1 3 378.458 0.437 20 0 GCADHM O=C(CN1CCO[C@H](CO)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823002227 606117480 /nfs/dbraw/zinc/11/74/80/606117480.db2.gz VLYGLKKPXMRLFJ-NSHDSACASA-N -1 3 392.485 0.829 20 0 GCADHM O=C(CN1CCO[C@H](CO)C1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823002227 606117483 /nfs/dbraw/zinc/11/74/83/606117483.db2.gz VLYGLKKPXMRLFJ-NSHDSACASA-N -1 3 392.485 0.829 20 0 GCADHM O=C(CN1CCO[C@@H](CO)C1)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823002224 606117631 /nfs/dbraw/zinc/11/76/31/606117631.db2.gz VLYGLKKPXMRLFJ-LLVKDONJSA-N -1 3 392.485 0.829 20 0 GCADHM O=C(CN1CCO[C@@H](CO)C1)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823002224 606117633 /nfs/dbraw/zinc/11/76/33/606117633.db2.gz VLYGLKKPXMRLFJ-LLVKDONJSA-N -1 3 392.485 0.829 20 0 GCADHM Cn1cc(N2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2=O)cn1 ZINC000822680381 606117822 /nfs/dbraw/zinc/11/78/22/606117822.db2.gz NCMXJXVMWNIQCI-SREVYHEPSA-N -1 3 378.396 0.489 20 0 GCADHM Cn1cc(N2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2=O)cn1 ZINC000822680381 606117824 /nfs/dbraw/zinc/11/78/24/606117824.db2.gz NCMXJXVMWNIQCI-SREVYHEPSA-N -1 3 378.396 0.489 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820294430 606122145 /nfs/dbraw/zinc/12/21/45/606122145.db2.gz SKRUOBVVCZHDLG-CYBMUJFWSA-N -1 3 392.485 0.586 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820294430 606122147 /nfs/dbraw/zinc/12/21/47/606122147.db2.gz SKRUOBVVCZHDLG-CYBMUJFWSA-N -1 3 392.485 0.586 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820294898 606123171 /nfs/dbraw/zinc/12/31/71/606123171.db2.gz WLKUOBNYNZVIRR-GFCCVEGCSA-N -1 3 393.469 0.917 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820294898 606123172 /nfs/dbraw/zinc/12/31/72/606123172.db2.gz WLKUOBNYNZVIRR-GFCCVEGCSA-N -1 3 393.469 0.917 20 0 GCADHM CS(=O)(=O)CC1(CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821920611 606124112 /nfs/dbraw/zinc/12/41/12/606124112.db2.gz VHQMJVFJCFVWFG-UHFFFAOYSA-N -1 3 379.442 0.577 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H](C)CS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821646886 606130882 /nfs/dbraw/zinc/13/08/82/606130882.db2.gz QAJLZUDZMDPRMF-CABZTGNLSA-N -1 3 382.398 0.305 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H](C)CS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821646886 606130883 /nfs/dbraw/zinc/13/08/83/606130883.db2.gz QAJLZUDZMDPRMF-CABZTGNLSA-N -1 3 382.398 0.305 20 0 GCADHM CS(=O)(=O)CC1(CC(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821920171 606131440 /nfs/dbraw/zinc/13/14/40/606131440.db2.gz MJRMIJCJSRYKDO-ZDUSSCGKSA-N -1 3 393.425 0.151 20 0 GCADHM CS(=O)(=O)CC1(CC(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821920171 606131441 /nfs/dbraw/zinc/13/14/41/606131441.db2.gz MJRMIJCJSRYKDO-ZDUSSCGKSA-N -1 3 393.425 0.151 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000819789768 606132389 /nfs/dbraw/zinc/13/23/89/606132389.db2.gz XHXDOUPWGITXLT-SFHVURJKSA-N -1 3 386.412 0.285 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000819789768 606132391 /nfs/dbraw/zinc/13/23/91/606132391.db2.gz XHXDOUPWGITXLT-SFHVURJKSA-N -1 3 386.412 0.285 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN1c1ncccn1 ZINC000823206002 606136840 /nfs/dbraw/zinc/13/68/40/606136840.db2.gz FQRZEYUUNTVVIP-ZDUSSCGKSA-N -1 3 380.416 0.249 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN1c1ncccn1 ZINC000823206002 606136841 /nfs/dbraw/zinc/13/68/41/606136841.db2.gz FQRZEYUUNTVVIP-ZDUSSCGKSA-N -1 3 380.416 0.249 20 0 GCADHM NC(=O)c1cc(Cl)nnc1N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822880342 606138159 /nfs/dbraw/zinc/13/81/59/606138159.db2.gz NJKJEWXQRSBSPT-UHFFFAOYSA-N -1 3 385.819 0.736 20 0 GCADHM NC(=O)c1cc(Cl)nnc1N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822880342 606138160 /nfs/dbraw/zinc/13/81/60/606138160.db2.gz NJKJEWXQRSBSPT-UHFFFAOYSA-N -1 3 385.819 0.736 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000822880663 606141130 /nfs/dbraw/zinc/14/11/30/606141130.db2.gz XRIASILTOBVKKV-CYBMUJFWSA-N -1 3 381.352 0.256 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000822880663 606141132 /nfs/dbraw/zinc/14/11/32/606141132.db2.gz XRIASILTOBVKKV-CYBMUJFWSA-N -1 3 381.352 0.256 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CCO1 ZINC000819928094 606143997 /nfs/dbraw/zinc/14/39/97/606143997.db2.gz IDUQZVLXFYBJJR-GFCCVEGCSA-N -1 3 395.441 0.598 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000819928094 606143999 /nfs/dbraw/zinc/14/39/99/606143999.db2.gz IDUQZVLXFYBJJR-GFCCVEGCSA-N -1 3 395.441 0.598 20 0 GCADHM Nc1ncnc2c1ncn2CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822907551 606149131 /nfs/dbraw/zinc/14/91/31/606149131.db2.gz SJWNFYPUGNANEK-UHFFFAOYSA-N -1 3 381.356 0.211 20 0 GCADHM Nc1ncnc2c1ncn2CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000822907551 606149133 /nfs/dbraw/zinc/14/91/33/606149133.db2.gz SJWNFYPUGNANEK-UHFFFAOYSA-N -1 3 381.356 0.211 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820767602 606153080 /nfs/dbraw/zinc/15/30/80/606153080.db2.gz IWVVZHGPYYSUAV-TVQRCGJNSA-N -1 3 397.436 0.797 20 0 GCADHM C[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820767602 606153081 /nfs/dbraw/zinc/15/30/81/606153081.db2.gz IWVVZHGPYYSUAV-TVQRCGJNSA-N -1 3 397.436 0.797 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823246135 606157722 /nfs/dbraw/zinc/15/77/22/606157722.db2.gz CUQFZARAKCLIRX-OAHLLOKOSA-N -1 3 385.428 0.446 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823246135 606157724 /nfs/dbraw/zinc/15/77/24/606157724.db2.gz CUQFZARAKCLIRX-OAHLLOKOSA-N -1 3 385.428 0.446 20 0 GCADHM O=C1[C@@H](N2CCN(c3ccccc3-c3nnn[n-]3)CC2)CCN1C1CCOCC1 ZINC000823503881 606160933 /nfs/dbraw/zinc/16/09/33/606160933.db2.gz JVPMCNQLENIJGW-SFHVURJKSA-N -1 3 397.483 0.769 20 0 GCADHM O=C1[C@@H](N2CCN(c3ccccc3-c3nn[n-]n3)CC2)CCN1C1CCOCC1 ZINC000823503881 606160935 /nfs/dbraw/zinc/16/09/35/606160935.db2.gz JVPMCNQLENIJGW-SFHVURJKSA-N -1 3 397.483 0.769 20 0 GCADHM NC(=O)C1CCC(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000822860440 606163529 /nfs/dbraw/zinc/16/35/29/606163529.db2.gz UWSIAENTNUVLAW-UHFFFAOYSA-N -1 3 399.459 0.137 20 0 GCADHM NC(=O)C1CCC(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000822860440 606163531 /nfs/dbraw/zinc/16/35/31/606163531.db2.gz UWSIAENTNUVLAW-UHFFFAOYSA-N -1 3 399.459 0.137 20 0 GCADHM NC(=O)C1CCC(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC1 ZINC000822859689 606163922 /nfs/dbraw/zinc/16/39/22/606163922.db2.gz IAOCRVWCOIWTKN-UHFFFAOYSA-N -1 3 399.459 0.137 20 0 GCADHM NC(=O)C1CCC(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC1 ZINC000822859689 606163924 /nfs/dbraw/zinc/16/39/24/606163924.db2.gz IAOCRVWCOIWTKN-UHFFFAOYSA-N -1 3 399.459 0.137 20 0 GCADHM CC(C)N1C[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1=O ZINC000820126633 606174192 /nfs/dbraw/zinc/17/41/92/606174192.db2.gz BUEZHTCJPMFCBH-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)N1C[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1=O ZINC000820126633 606174193 /nfs/dbraw/zinc/17/41/93/606174193.db2.gz BUEZHTCJPMFCBH-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)OC(=O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820142154 606174266 /nfs/dbraw/zinc/17/42/66/606174266.db2.gz IBHUEWCZRPQGFC-UHFFFAOYSA-N -1 3 398.326 0.474 20 0 GCADHM CC(C)OC(=O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820142154 606174268 /nfs/dbraw/zinc/17/42/68/606174268.db2.gz IBHUEWCZRPQGFC-UHFFFAOYSA-N -1 3 398.326 0.474 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(=O)OC(C)C ZINC000821400213 606174545 /nfs/dbraw/zinc/17/45/45/606174545.db2.gz HDXFGSUKHHVVFQ-UHFFFAOYSA-N -1 3 376.373 0.272 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(=O)OC(C)C ZINC000821400213 606174547 /nfs/dbraw/zinc/17/45/47/606174547.db2.gz HDXFGSUKHHVVFQ-UHFFFAOYSA-N -1 3 376.373 0.272 20 0 GCADHM Cc1nc([C@H]2CCCN2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)no1 ZINC000822436390 606174566 /nfs/dbraw/zinc/17/45/66/606174566.db2.gz KUUFPNVJAYASBD-GFCCVEGCSA-N -1 3 384.404 0.912 20 0 GCADHM Cc1nc([C@H]2CCCN2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)no1 ZINC000822436390 606174567 /nfs/dbraw/zinc/17/45/67/606174567.db2.gz KUUFPNVJAYASBD-GFCCVEGCSA-N -1 3 384.404 0.912 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N1CCO[C@@H](CO)C1 ZINC000823219947 606174714 /nfs/dbraw/zinc/17/47/14/606174714.db2.gz URZATOGTCCNUNF-CYBMUJFWSA-N -1 3 378.458 0.503 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N1CCO[C@@H](CO)C1 ZINC000823219947 606174715 /nfs/dbraw/zinc/17/47/15/606174715.db2.gz URZATOGTCCNUNF-CYBMUJFWSA-N -1 3 378.458 0.503 20 0 GCADHM CO[C@@H](C)c1noc(CN(c2ccc(-c3nn[n-]n3)cc2)S(C)(=O)=O)n1 ZINC000821675682 606177366 /nfs/dbraw/zinc/17/73/66/606177366.db2.gz QXHLGYMRUQCGIT-VIFPVBQESA-N -1 3 379.402 0.923 20 0 GCADHM CO[C@@H](C)c1nc(C)c(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)s1 ZINC000821676030 606179033 /nfs/dbraw/zinc/17/90/33/606179033.db2.gz ZUGBCOQHUIHYKK-QMMMGPOBSA-N -1 3 378.418 0.975 20 0 GCADHM CO[C@@H](C)c1nc(C)c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)s1 ZINC000821676030 606179035 /nfs/dbraw/zinc/17/90/35/606179035.db2.gz ZUGBCOQHUIHYKK-QMMMGPOBSA-N -1 3 378.418 0.975 20 0 GCADHM CCCc1nc(C[S@](=O)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000821142073 606179877 /nfs/dbraw/zinc/17/98/77/606179877.db2.gz CVUFODIAPUKAHV-MHZLTWQESA-N -1 3 389.441 0.767 20 0 GCADHM CO[C@H](C)c1noc(C[S@](=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821675191 606180677 /nfs/dbraw/zinc/18/06/77/606180677.db2.gz FTPLFEFPGGNXNC-IQSLBTHBSA-N -1 3 391.413 0.845 20 0 GCADHM CO[C@H](C)c1noc(C[S@](=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821675191 606180679 /nfs/dbraw/zinc/18/06/79/606180679.db2.gz FTPLFEFPGGNXNC-IQSLBTHBSA-N -1 3 391.413 0.845 20 0 GCADHM CO[C@H](C)c1noc(C[S@@](=O)CC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821675193 606180764 /nfs/dbraw/zinc/18/07/64/606180764.db2.gz FTPLFEFPGGNXNC-LURBXMNDSA-N -1 3 391.413 0.845 20 0 GCADHM CO[C@H](C)c1noc(C[S@@](=O)CC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821675193 606180765 /nfs/dbraw/zinc/18/07/65/606180765.db2.gz FTPLFEFPGGNXNC-LURBXMNDSA-N -1 3 391.413 0.845 20 0 GCADHM C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819877072 606184808 /nfs/dbraw/zinc/18/48/08/606184808.db2.gz NXTLMZIOTRIBFH-LLVKDONJSA-N -1 3 388.428 0.785 20 0 GCADHM C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819877072 606184810 /nfs/dbraw/zinc/18/48/10/606184810.db2.gz NXTLMZIOTRIBFH-LLVKDONJSA-N -1 3 388.428 0.785 20 0 GCADHM Cc1nc(C(C)(C)NCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822423569 606187725 /nfs/dbraw/zinc/18/77/25/606187725.db2.gz LSZCNDNKHXLMCE-UHFFFAOYSA-N -1 3 377.430 0.857 20 0 GCADHM Cc1nc(C(C)(C)NCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822423569 606187727 /nfs/dbraw/zinc/18/77/27/606187727.db2.gz LSZCNDNKHXLMCE-UHFFFAOYSA-N -1 3 377.430 0.857 20 0 GCADHM O=S(=O)(CCN1CCC[C@@H]1Cn1cncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562912 606188414 /nfs/dbraw/zinc/18/84/14/606188414.db2.gz WYAPWXZXJWDQSB-CQSZACIVSA-N -1 3 388.457 0.397 20 0 GCADHM O=S(=O)(CCN1CCC[C@@H]1Cn1cncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562912 606188416 /nfs/dbraw/zinc/18/84/16/606188416.db2.gz WYAPWXZXJWDQSB-CQSZACIVSA-N -1 3 388.457 0.397 20 0 GCADHM CO[C@H](C)c1noc(CN(C)C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821675942 606191797 /nfs/dbraw/zinc/19/17/97/606191797.db2.gz WXRWZUZNPGNMOC-YPMHNXCESA-N -1 3 389.416 0.829 20 0 GCADHM C[C@@]1(C2CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)NC(=O)NC1=O ZINC000820612775 606197581 /nfs/dbraw/zinc/19/75/81/606197581.db2.gz JDCFUPGIMYOHCW-INIZCTEOSA-N -1 3 377.355 0.959 20 0 GCADHM C[C@@]1(C2CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)NC(=O)NC1=O ZINC000820612775 606197584 /nfs/dbraw/zinc/19/75/84/606197584.db2.gz JDCFUPGIMYOHCW-INIZCTEOSA-N -1 3 377.355 0.959 20 0 GCADHM COC(=O)c1cc(OC(=O)c2cc(-c3nnn[n-]3)cn2C)cc(C(=O)OC)c1 ZINC000821667946 606210897 /nfs/dbraw/zinc/21/08/97/606210897.db2.gz HVMMDPBPBTWDPR-UHFFFAOYSA-N -1 3 385.336 0.998 20 0 GCADHM COC(=O)c1cc(OC(=O)c2cc(-c3nn[n-]n3)cn2C)cc(C(=O)OC)c1 ZINC000821667946 606210898 /nfs/dbraw/zinc/21/08/98/606210898.db2.gz HVMMDPBPBTWDPR-UHFFFAOYSA-N -1 3 385.336 0.998 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000822650650 606220352 /nfs/dbraw/zinc/22/03/52/606220352.db2.gz XNWWUWGTMYAXCI-UHFFFAOYSA-N -1 3 380.368 0.509 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000822650650 606220354 /nfs/dbraw/zinc/22/03/54/606220354.db2.gz XNWWUWGTMYAXCI-UHFFFAOYSA-N -1 3 380.368 0.509 20 0 GCADHM COC(=O)/C(C)=C\COC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821638832 606226373 /nfs/dbraw/zinc/22/63/73/606226373.db2.gz JELXIGIQRVPPAX-YFHOEESVSA-N -1 3 383.368 0.911 20 0 GCADHM COC(=O)/C(C)=C\COC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821638832 606226377 /nfs/dbraw/zinc/22/63/77/606226377.db2.gz JELXIGIQRVPPAX-YFHOEESVSA-N -1 3 383.368 0.911 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OCC[C@H]1CCCC1=O ZINC000823009707 606227031 /nfs/dbraw/zinc/22/70/31/606227031.db2.gz QPDGVWDVWXWGIV-LLVKDONJSA-N -1 3 393.425 0.448 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OCC[C@H]1CCCC1=O ZINC000823009707 606227032 /nfs/dbraw/zinc/22/70/32/606227032.db2.gz QPDGVWDVWXWGIV-LLVKDONJSA-N -1 3 393.425 0.448 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)OCC[C@H]1CCCC1=O ZINC000823009591 606227425 /nfs/dbraw/zinc/22/74/25/606227425.db2.gz OLIONESPARPBMG-LLVKDONJSA-N -1 3 393.425 0.448 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)OCC[C@H]1CCCC1=O ZINC000823009591 606227427 /nfs/dbraw/zinc/22/74/27/606227427.db2.gz OLIONESPARPBMG-LLVKDONJSA-N -1 3 393.425 0.448 20 0 GCADHM NC(=O)CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822868583 606229407 /nfs/dbraw/zinc/22/94/07/606229407.db2.gz FDFWPUZUHFAOEE-UHFFFAOYSA-N -1 3 397.395 0.256 20 0 GCADHM NC(=O)CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822868583 606229408 /nfs/dbraw/zinc/22/94/08/606229408.db2.gz FDFWPUZUHFAOEE-UHFFFAOYSA-N -1 3 397.395 0.256 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000822649504 606230287 /nfs/dbraw/zinc/23/02/87/606230287.db2.gz DVCVGUKHLITCNU-UHFFFAOYSA-N -1 3 381.396 0.930 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 ZINC000822649504 606230289 /nfs/dbraw/zinc/23/02/89/606230289.db2.gz DVCVGUKHLITCNU-UHFFFAOYSA-N -1 3 381.396 0.930 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(Cc2ccccc2)CC1 ZINC000823396254 606231980 /nfs/dbraw/zinc/23/19/80/606231980.db2.gz GYABCSHAGSMJIH-UHFFFAOYSA-N -1 3 395.423 0.696 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(Cc2ccccc2)CC1 ZINC000823396254 606231981 /nfs/dbraw/zinc/23/19/81/606231981.db2.gz GYABCSHAGSMJIH-UHFFFAOYSA-N -1 3 395.423 0.696 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC1CCC2(CC1)OCCO2 ZINC000823022988 606233277 /nfs/dbraw/zinc/23/32/77/606233277.db2.gz UQZZAVFFCMVVBC-UHFFFAOYSA-N -1 3 376.373 0.154 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC1CCC2(CC1)OCCO2 ZINC000823022988 606233278 /nfs/dbraw/zinc/23/32/78/606233278.db2.gz UQZZAVFFCMVVBC-UHFFFAOYSA-N -1 3 376.373 0.154 20 0 GCADHM CS(=O)(=O)c1cccc(OCCOC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821937032 606234517 /nfs/dbraw/zinc/23/45/17/606234517.db2.gz IVOLSGDTNYRNJD-UHFFFAOYSA-N -1 3 377.382 0.834 20 0 GCADHM CS(=O)(=O)c1cccc(OCCOC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821937032 606234519 /nfs/dbraw/zinc/23/45/19/606234519.db2.gz IVOLSGDTNYRNJD-UHFFFAOYSA-N -1 3 377.382 0.834 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000822641751 606235991 /nfs/dbraw/zinc/23/59/91/606235991.db2.gz ZWBPQVWOVJKSES-UHFFFAOYSA-N -1 3 395.423 0.608 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 ZINC000822641751 606235992 /nfs/dbraw/zinc/23/59/92/606235992.db2.gz ZWBPQVWOVJKSES-UHFFFAOYSA-N -1 3 395.423 0.608 20 0 GCADHM O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823405194 606236332 /nfs/dbraw/zinc/23/63/32/606236332.db2.gz LFSPQDDOJWFANF-UHFFFAOYSA-N -1 3 388.365 0.196 20 0 GCADHM O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823405194 606236333 /nfs/dbraw/zinc/23/63/33/606236333.db2.gz LFSPQDDOJWFANF-UHFFFAOYSA-N -1 3 388.365 0.196 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000822627381 606237187 /nfs/dbraw/zinc/23/71/87/606237187.db2.gz MYLDSTSTAISYAA-UHFFFAOYSA-N -1 3 397.414 0.871 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000822627381 606237188 /nfs/dbraw/zinc/23/71/88/606237188.db2.gz MYLDSTSTAISYAA-UHFFFAOYSA-N -1 3 397.414 0.871 20 0 GCADHM Cn1cc([C@H]2CN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822674582 606239836 /nfs/dbraw/zinc/23/98/36/606239836.db2.gz XLURHZQXRKBXCG-CQSZACIVSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc([C@H]2CN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822674582 606239837 /nfs/dbraw/zinc/23/98/37/606239837.db2.gz XLURHZQXRKBXCG-CQSZACIVSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822673841 606239893 /nfs/dbraw/zinc/23/98/93/606239893.db2.gz CZGUTYGRWVCRJI-AWEZNQCLSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822673841 606239894 /nfs/dbraw/zinc/23/98/94/606239894.db2.gz CZGUTYGRWVCRJI-AWEZNQCLSA-N -1 3 375.414 0.362 20 0 GCADHM C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC000820613177 606246395 /nfs/dbraw/zinc/24/63/95/606246395.db2.gz VODDDCKVRNVFOM-SFHVURJKSA-N -1 3 394.395 0.783 20 0 GCADHM C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC000820613177 606246396 /nfs/dbraw/zinc/24/63/96/606246396.db2.gz VODDDCKVRNVFOM-SFHVURJKSA-N -1 3 394.395 0.783 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821588253 606250939 /nfs/dbraw/zinc/25/09/39/606250939.db2.gz JDUFFFAXURGIRI-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821588253 606250942 /nfs/dbraw/zinc/25/09/42/606250942.db2.gz JDUFFFAXURGIRI-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM O=C(CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)Nc1ccccc1 ZINC000822997340 606251447 /nfs/dbraw/zinc/25/14/47/606251447.db2.gz POZOJSHBUFWEAG-UHFFFAOYSA-N -1 3 380.412 0.591 20 0 GCADHM O=C(CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)Nc1ccccc1 ZINC000822997340 606251448 /nfs/dbraw/zinc/25/14/48/606251448.db2.gz POZOJSHBUFWEAG-UHFFFAOYSA-N -1 3 380.412 0.591 20 0 GCADHM CN(C)Cc1nc(C2(NC(=O)c3cc(-c4nnn[n-]4)cn3C)CCCC2)no1 ZINC000821588377 606254132 /nfs/dbraw/zinc/25/41/32/606254132.db2.gz PCXKBUOJTSIKSU-UHFFFAOYSA-N -1 3 385.432 0.849 20 0 GCADHM CN(C)Cc1nc(C2(NC(=O)c3cc(-c4nn[n-]n4)cn3C)CCCC2)no1 ZINC000821588377 606254133 /nfs/dbraw/zinc/25/41/33/606254133.db2.gz PCXKBUOJTSIKSU-UHFFFAOYSA-N -1 3 385.432 0.849 20 0 GCADHM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823196273 606255932 /nfs/dbraw/zinc/25/59/32/606255932.db2.gz BYDCKFPRUUXSGX-UHFFFAOYSA-N -1 3 384.419 0.886 20 0 GCADHM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823196273 606255934 /nfs/dbraw/zinc/25/59/34/606255934.db2.gz BYDCKFPRUUXSGX-UHFFFAOYSA-N -1 3 384.419 0.886 20 0 GCADHM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820262284 606259566 /nfs/dbraw/zinc/25/95/66/606259566.db2.gz UXFBLCFLUCYNBT-CQSZACIVSA-N -1 3 395.471 0.541 20 0 GCADHM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820262284 606259568 /nfs/dbraw/zinc/25/95/68/606259568.db2.gz UXFBLCFLUCYNBT-CQSZACIVSA-N -1 3 395.471 0.541 20 0 GCADHM NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822865249 606260708 /nfs/dbraw/zinc/26/07/08/606260708.db2.gz YSRGPHUBSQNVAG-HNNXBMFYSA-N -1 3 380.412 0.897 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820563969 606275121 /nfs/dbraw/zinc/27/51/21/606275121.db2.gz WVQGSIVWHCTHRI-SNVBAGLBSA-N -1 3 389.441 0.686 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820563969 606275122 /nfs/dbraw/zinc/27/51/22/606275122.db2.gz WVQGSIVWHCTHRI-SNVBAGLBSA-N -1 3 389.441 0.686 20 0 GCADHM Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1C ZINC000822212911 606275744 /nfs/dbraw/zinc/27/57/44/606275744.db2.gz MMHDHHSIKPZWRI-UHFFFAOYSA-N -1 3 375.414 0.722 20 0 GCADHM Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1C ZINC000822212911 606275745 /nfs/dbraw/zinc/27/57/45/606275745.db2.gz MMHDHHSIKPZWRI-UHFFFAOYSA-N -1 3 375.414 0.722 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000822627138 606276826 /nfs/dbraw/zinc/27/68/26/606276826.db2.gz KPHZQLPVYATSTP-INIZCTEOSA-N -1 3 394.439 0.190 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000822627138 606276827 /nfs/dbraw/zinc/27/68/27/606276827.db2.gz KPHZQLPVYATSTP-INIZCTEOSA-N -1 3 394.439 0.190 20 0 GCADHM COc1cc(CNC(=O)c2cc(-c3nnn[n-]3)cn2C)ccc1OCC(N)=O ZINC000821716620 606280551 /nfs/dbraw/zinc/28/05/51/606280551.db2.gz CFJCAGIFVNMAAY-UHFFFAOYSA-N -1 3 385.384 0.008 20 0 GCADHM COc1cc(CNC(=O)c2cc(-c3nn[n-]n3)cn2C)ccc1OCC(N)=O ZINC000821716620 606280552 /nfs/dbraw/zinc/28/05/52/606280552.db2.gz CFJCAGIFVNMAAY-UHFFFAOYSA-N -1 3 385.384 0.008 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823146069 606280642 /nfs/dbraw/zinc/28/06/42/606280642.db2.gz UJJWZSAISCWWEE-CYBMUJFWSA-N -1 3 381.396 0.605 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823146069 606280645 /nfs/dbraw/zinc/28/06/45/606280645.db2.gz UJJWZSAISCWWEE-CYBMUJFWSA-N -1 3 381.396 0.605 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000822636308 606282226 /nfs/dbraw/zinc/28/22/26/606282226.db2.gz CJALUJBHPZMFKK-MRXNPFEDSA-N -1 3 377.474 0.143 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000822636308 606282228 /nfs/dbraw/zinc/28/22/28/606282228.db2.gz CJALUJBHPZMFKK-MRXNPFEDSA-N -1 3 377.474 0.143 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821637791 606283051 /nfs/dbraw/zinc/28/30/51/606283051.db2.gz UEBOEFHJDWNCEU-UHFFFAOYSA-N -1 3 387.425 0.316 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821637791 606283052 /nfs/dbraw/zinc/28/30/52/606283052.db2.gz UEBOEFHJDWNCEU-UHFFFAOYSA-N -1 3 387.425 0.316 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC000822637983 606283641 /nfs/dbraw/zinc/28/36/41/606283641.db2.gz VOOKNWCPNPFDHC-LBPRGKRZSA-N -1 3 382.384 0.212 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21 ZINC000822637983 606283643 /nfs/dbraw/zinc/28/36/43/606283643.db2.gz VOOKNWCPNPFDHC-LBPRGKRZSA-N -1 3 382.384 0.212 20 0 GCADHM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC000821691036 606283683 /nfs/dbraw/zinc/28/36/83/606283683.db2.gz GEKBJJYNSNQVJG-NEPJUHHUSA-N -1 3 375.433 0.209 20 0 GCADHM COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC000821691036 606283684 /nfs/dbraw/zinc/28/36/84/606283684.db2.gz GEKBJJYNSNQVJG-NEPJUHHUSA-N -1 3 375.433 0.209 20 0 GCADHM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC000821294533 606284063 /nfs/dbraw/zinc/28/40/63/606284063.db2.gz UWCZOWLBBPDOSI-UHFFFAOYSA-N -1 3 387.425 0.696 20 0 GCADHM CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC000821294533 606284065 /nfs/dbraw/zinc/28/40/65/606284065.db2.gz UWCZOWLBBPDOSI-UHFFFAOYSA-N -1 3 387.425 0.696 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)cn1C)Cc1ccc(O)cc1 ZINC000821640519 606285738 /nfs/dbraw/zinc/28/57/38/606285738.db2.gz JZPUKZJMJPATFQ-LBPRGKRZSA-N -1 3 384.396 0.673 20 0 GCADHM COC(=O)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)cn1C)Cc1ccc(O)cc1 ZINC000821640519 606285739 /nfs/dbraw/zinc/28/57/39/606285739.db2.gz JZPUKZJMJPATFQ-LBPRGKRZSA-N -1 3 384.396 0.673 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(NC(N)=O)CC1 ZINC000820031885 606286561 /nfs/dbraw/zinc/28/65/61/606286561.db2.gz JETBJGVETIKBDP-OAHLLOKOSA-N -1 3 387.444 0.929 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(NC(N)=O)CC1 ZINC000820031885 606286562 /nfs/dbraw/zinc/28/65/62/606286562.db2.gz JETBJGVETIKBDP-OAHLLOKOSA-N -1 3 387.444 0.929 20 0 GCADHM Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CC1 ZINC000822492099 606289927 /nfs/dbraw/zinc/28/99/27/606289927.db2.gz QRZHCOHVHMSQAQ-UHFFFAOYSA-N -1 3 383.460 0.514 20 0 GCADHM Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC000822492099 606289929 /nfs/dbraw/zinc/28/99/29/606289929.db2.gz QRZHCOHVHMSQAQ-UHFFFAOYSA-N -1 3 383.460 0.514 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000822632471 606291055 /nfs/dbraw/zinc/29/10/55/606291055.db2.gz WGXQONFXJVDBGL-UHFFFAOYSA-N -1 3 399.459 0.844 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000822632471 606291056 /nfs/dbraw/zinc/29/10/56/606291056.db2.gz WGXQONFXJVDBGL-UHFFFAOYSA-N -1 3 399.459 0.844 20 0 GCADHM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccc(S(N)(=O)=O)c1 ZINC000820920039 606291077 /nfs/dbraw/zinc/29/10/77/606291077.db2.gz JKBZWILFJBMHMR-ZDUSSCGKSA-N -1 3 389.441 0.734 20 0 GCADHM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccc(S(N)(=O)=O)c1 ZINC000820920039 606291078 /nfs/dbraw/zinc/29/10/78/606291078.db2.gz JKBZWILFJBMHMR-ZDUSSCGKSA-N -1 3 389.441 0.734 20 0 GCADHM CC(C)COC[C@H](O)CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000820102625 606291621 /nfs/dbraw/zinc/29/16/21/606291621.db2.gz DXRPNKKPVWZNBL-SJORKVTESA-N -1 3 388.472 0.985 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@@H](O)COCC(C)C ZINC000821699992 606291952 /nfs/dbraw/zinc/29/19/52/606291952.db2.gz ABXLGLXOPMKPJA-CYBMUJFWSA-N -1 3 379.417 0.404 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@H](O)COCC(C)C ZINC000821699992 606291954 /nfs/dbraw/zinc/29/19/54/606291954.db2.gz ABXLGLXOPMKPJA-CYBMUJFWSA-N -1 3 379.417 0.404 20 0 GCADHM CCS(=O)(=O)N(C)CCCN[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821441010 606299392 /nfs/dbraw/zinc/29/93/92/606299392.db2.gz HCUDVLFMIKIOAG-CQSZACIVSA-N -1 3 396.473 0.342 20 0 GCADHM CCS(=O)(=O)N(C)CCCN[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821441010 606299394 /nfs/dbraw/zinc/29/93/94/606299394.db2.gz HCUDVLFMIKIOAG-CQSZACIVSA-N -1 3 396.473 0.342 20 0 GCADHM COC(=O)[C@H](NCC(=O)NCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000821641988 606299810 /nfs/dbraw/zinc/29/98/10/606299810.db2.gz BQXYLBCCBRCCBC-QGZVFWFLSA-N -1 3 380.408 0.987 20 0 GCADHM COC(=O)[C@H](NCC(=O)NCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000821641988 606299811 /nfs/dbraw/zinc/29/98/11/606299811.db2.gz BQXYLBCCBRCCBC-QGZVFWFLSA-N -1 3 380.408 0.987 20 0 GCADHM C[C@@]1(C2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)NC(=O)NC1=O ZINC000820612758 606301612 /nfs/dbraw/zinc/30/16/12/606301612.db2.gz IMNNFCYZVINCBV-HNNXBMFYSA-N -1 3 376.808 0.730 20 0 GCADHM C[C@@]1(C2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)NC(=O)NC1=O ZINC000820612758 606301613 /nfs/dbraw/zinc/30/16/13/606301613.db2.gz IMNNFCYZVINCBV-HNNXBMFYSA-N -1 3 376.808 0.730 20 0 GCADHM CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821510014 606306252 /nfs/dbraw/zinc/30/62/52/606306252.db2.gz SJMUMNQUENBKBC-CZUORRHYSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821510014 606306254 /nfs/dbraw/zinc/30/62/54/606306254.db2.gz 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COC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000821655597 606605460 /nfs/dbraw/zinc/60/54/60/606605460.db2.gz OBGCJGRZKGTIFM-SECBINFHSA-N -1 3 376.348 0.356 20 0 GCADHM O=C(NCC1CCCC1)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000823176671 606605779 /nfs/dbraw/zinc/60/57/79/606605779.db2.gz WKVPDWXXTCPEOY-UHFFFAOYSA-N -1 3 395.427 0.751 20 0 GCADHM O=C(NCC1CCCC1)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000823176671 606605780 /nfs/dbraw/zinc/60/57/80/606605780.db2.gz WKVPDWXXTCPEOY-UHFFFAOYSA-N -1 3 395.427 0.751 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)N[C@@H]1CCSC1 ZINC000823382644 606606200 /nfs/dbraw/zinc/60/62/00/606606200.db2.gz BQSSOVOZXPFESB-GFCCVEGCSA-N -1 3 399.440 0.067 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)N[C@@H]1CCSC1 ZINC000823382644 606606202 /nfs/dbraw/zinc/60/62/02/606606202.db2.gz BQSSOVOZXPFESB-GFCCVEGCSA-N -1 3 399.440 0.067 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000821756681 606606605 /nfs/dbraw/zinc/60/66/05/606606605.db2.gz QSSOCNGPHVUSPW-AWEZNQCLSA-N -1 3 396.407 0.534 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000821756681 606606607 /nfs/dbraw/zinc/60/66/07/606606607.db2.gz QSSOCNGPHVUSPW-AWEZNQCLSA-N -1 3 396.407 0.534 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000822216533 606606993 /nfs/dbraw/zinc/60/69/93/606606993.db2.gz RIFVLCBTNBFUAK-HZPDHXFCSA-N -1 3 378.392 0.888 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000822216533 606606995 /nfs/dbraw/zinc/60/69/95/606606995.db2.gz RIFVLCBTNBFUAK-HZPDHXFCSA-N -1 3 378.392 0.888 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000821756685 606607011 /nfs/dbraw/zinc/60/70/11/606607011.db2.gz QSSOCNGPHVUSPW-CQSZACIVSA-N -1 3 396.407 0.534 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000821756685 606607013 /nfs/dbraw/zinc/60/70/13/606607013.db2.gz QSSOCNGPHVUSPW-CQSZACIVSA-N -1 3 396.407 0.534 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)c1nc(C)no1 ZINC000821401563 606607802 /nfs/dbraw/zinc/60/78/02/606607802.db2.gz XAICABMZYAWYOK-MRVPVSSYSA-N -1 3 386.372 0.773 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)c1nc(C)no1 ZINC000821401563 606607805 /nfs/dbraw/zinc/60/78/05/606607805.db2.gz XAICABMZYAWYOK-MRVPVSSYSA-N -1 3 386.372 0.773 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000821757063 606608833 /nfs/dbraw/zinc/60/88/33/606608833.db2.gz UOLLGWHFDWJYNI-UHFFFAOYSA-N -1 3 396.411 0.943 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000821509483 606609657 /nfs/dbraw/zinc/60/96/57/606609657.db2.gz IKRPCPAUKCTENV-JTQLQIEISA-N -1 3 399.390 0.229 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000821509483 606609659 /nfs/dbraw/zinc/60/96/59/606609659.db2.gz IKRPCPAUKCTENV-JTQLQIEISA-N -1 3 399.390 0.229 20 0 GCADHM Cc1nonc1CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822531204 606611988 /nfs/dbraw/zinc/61/19/88/606611988.db2.gz XHKIUDXAZLWCPB-UHFFFAOYSA-N -1 3 396.289 0.832 20 0 GCADHM Cc1nonc1CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822531204 606611990 /nfs/dbraw/zinc/61/19/90/606611990.db2.gz XHKIUDXAZLWCPB-UHFFFAOYSA-N -1 3 396.289 0.832 20 0 GCADHM C[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000820623507 606612333 /nfs/dbraw/zinc/61/23/33/606612333.db2.gz SMEDSYJTMHHLFC-CQSZACIVSA-N -1 3 384.318 0.807 20 0 GCADHM C[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000820623507 606612334 /nfs/dbraw/zinc/61/23/34/606612334.db2.gz SMEDSYJTMHHLFC-CQSZACIVSA-N -1 3 384.318 0.807 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC000822314448 606613219 /nfs/dbraw/zinc/61/32/19/606613219.db2.gz SYUZLEOFGCGNBS-DMDPSCGWSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000822314448 606613221 /nfs/dbraw/zinc/61/32/21/606613221.db2.gz SYUZLEOFGCGNBS-DMDPSCGWSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1-c1nnn[n-]1 ZINC000822314450 606613358 /nfs/dbraw/zinc/61/33/58/606613358.db2.gz SYUZLEOFGCGNBS-LOWVWBTDSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1-c1nn[n-]n1 ZINC000822314450 606613359 /nfs/dbraw/zinc/61/33/59/606613359.db2.gz SYUZLEOFGCGNBS-LOWVWBTDSA-N -1 3 383.412 0.239 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821862412 606613515 /nfs/dbraw/zinc/61/35/15/606613515.db2.gz AVYJDLANLUDWFZ-HNNXBMFYSA-N -1 3 382.380 0.664 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821862412 606613517 /nfs/dbraw/zinc/61/35/17/606613517.db2.gz AVYJDLANLUDWFZ-HNNXBMFYSA-N -1 3 382.380 0.664 20 0 GCADHM CC1(CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCOCC1 ZINC000820619193 606613591 /nfs/dbraw/zinc/61/35/91/606613591.db2.gz YZNKYKYKEZXVKX-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM CC1(CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCOCC1 ZINC000820619193 606613593 /nfs/dbraw/zinc/61/35/93/606613593.db2.gz YZNKYKYKEZXVKX-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM C[C@H](N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)F ZINC000820306993 606614147 /nfs/dbraw/zinc/61/41/47/606614147.db2.gz HXWKWMIPAMIUHV-JTQLQIEISA-N -1 3 397.361 0.900 20 0 GCADHM C[C@H](N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)F ZINC000820306993 606614149 /nfs/dbraw/zinc/61/41/49/606614149.db2.gz HXWKWMIPAMIUHV-JTQLQIEISA-N -1 3 397.361 0.900 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000821755268 606615106 /nfs/dbraw/zinc/61/51/06/606615106.db2.gz CYUXQWMPJPLUCJ-IUODEOHRSA-N -1 3 388.428 0.991 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCO[C@@H]1C(C)C ZINC000821755268 606615107 /nfs/dbraw/zinc/61/51/07/606615107.db2.gz CYUXQWMPJPLUCJ-IUODEOHRSA-N -1 3 388.428 0.991 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000822312354 606615167 /nfs/dbraw/zinc/61/51/67/606615167.db2.gz FBXPFUYLVXGVDH-LLVKDONJSA-N -1 3 385.428 0.629 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000822312354 606615169 /nfs/dbraw/zinc/61/51/69/606615169.db2.gz FBXPFUYLVXGVDH-LLVKDONJSA-N -1 3 385.428 0.629 20 0 GCADHM O=C(COC(=O)CCOC1CCOCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823018224 606616416 /nfs/dbraw/zinc/61/64/16/606616416.db2.gz ITTVREDXSFQPRF-UHFFFAOYSA-N -1 3 375.385 0.934 20 0 GCADHM O=C(COC(=O)CCOC1CCOCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823018224 606616418 /nfs/dbraw/zinc/61/64/18/606616418.db2.gz ITTVREDXSFQPRF-UHFFFAOYSA-N -1 3 375.385 0.934 20 0 GCADHM CCOC(=O)C1(O)CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000821321477 606616752 /nfs/dbraw/zinc/61/67/52/606616752.db2.gz XYWOYZQVVRIXTG-UHFFFAOYSA-N -1 3 399.411 0.807 20 0 GCADHM CCOC(=O)C1(O)CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000821321477 606616754 /nfs/dbraw/zinc/61/67/54/606616754.db2.gz XYWOYZQVVRIXTG-UHFFFAOYSA-N -1 3 399.411 0.807 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821636154 606618442 /nfs/dbraw/zinc/61/84/42/606618442.db2.gz HJLHNTMBPVQQDO-JTQLQIEISA-N -1 3 381.487 0.577 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821636154 606618443 /nfs/dbraw/zinc/61/84/43/606618443.db2.gz HJLHNTMBPVQQDO-JTQLQIEISA-N -1 3 381.487 0.577 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821636102 606623469 /nfs/dbraw/zinc/62/34/69/606623469.db2.gz FQISXWXHTUCLJS-VXGBXAGGSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821636102 606623470 /nfs/dbraw/zinc/62/34/70/606623470.db2.gz FQISXWXHTUCLJS-VXGBXAGGSA-N -1 3 393.473 0.207 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820287166 606625421 /nfs/dbraw/zinc/62/54/21/606625421.db2.gz JPKQBPWKPSLKGG-RISCZKNCSA-N -1 3 398.427 0.558 20 0 GCADHM C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000820287166 606625423 /nfs/dbraw/zinc/62/54/23/606625423.db2.gz JPKQBPWKPSLKGG-RISCZKNCSA-N -1 3 398.427 0.558 20 0 GCADHM C[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820323889 606625725 /nfs/dbraw/zinc/62/57/25/606625725.db2.gz ZTVKEIZCFURPDN-QFYYESIMSA-N -1 3 399.436 0.774 20 0 GCADHM C[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820323889 606625727 /nfs/dbraw/zinc/62/57/27/606625727.db2.gz ZTVKEIZCFURPDN-QFYYESIMSA-N -1 3 399.436 0.774 20 0 GCADHM COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC000821657050 606626087 /nfs/dbraw/zinc/62/60/87/606626087.db2.gz GEOGCVUQZHQUJD-LBPRGKRZSA-N -1 3 392.803 0.917 20 0 GCADHM COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC000821657050 606626089 /nfs/dbraw/zinc/62/60/89/606626089.db2.gz GEOGCVUQZHQUJD-LBPRGKRZSA-N -1 3 392.803 0.917 20 0 GCADHM Cn1cc(N2CCN(CCC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2=O)cn1 ZINC000822684817 606626979 /nfs/dbraw/zinc/62/69/79/606626979.db2.gz KCSQERUFRPEHTA-UHFFFAOYSA-N -1 3 395.427 0.278 20 0 GCADHM Cn1cc(N2CCN(CCC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2=O)cn1 ZINC000822684817 606626981 /nfs/dbraw/zinc/62/69/81/606626981.db2.gz KCSQERUFRPEHTA-UHFFFAOYSA-N -1 3 395.427 0.278 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000823308990 606631830 /nfs/dbraw/zinc/63/18/30/606631830.db2.gz OPINLNPLVCKJRU-UHFFFAOYSA-N -1 3 391.457 0.945 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)NC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000823308990 606631832 /nfs/dbraw/zinc/63/18/32/606631832.db2.gz OPINLNPLVCKJRU-UHFFFAOYSA-N -1 3 391.457 0.945 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823002403 606632199 /nfs/dbraw/zinc/63/21/99/606632199.db2.gz XQHGKAAVHPQUQC-HUUCEWRRSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823002403 606632201 /nfs/dbraw/zinc/63/22/01/606632201.db2.gz XQHGKAAVHPQUQC-HUUCEWRRSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccon1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000823201154 606632266 /nfs/dbraw/zinc/63/22/66/606632266.db2.gz BDSVZOBJYXGHSO-UHFFFAOYSA-N -1 3 392.401 0.096 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1ccon1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000823201154 606632268 /nfs/dbraw/zinc/63/22/68/606632268.db2.gz BDSVZOBJYXGHSO-UHFFFAOYSA-N -1 3 392.401 0.096 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OCC(=O)C1CCC1 ZINC000823055778 606635341 /nfs/dbraw/zinc/63/53/41/606635341.db2.gz VYNDXGSDPMVGEX-UHFFFAOYSA-N -1 3 378.410 0.694 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OCC(=O)C1CCC1 ZINC000823055778 606635342 /nfs/dbraw/zinc/63/53/42/606635342.db2.gz VYNDXGSDPMVGEX-UHFFFAOYSA-N -1 3 378.410 0.694 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)OCC(=O)C1CCC1 ZINC000823009615 606635590 /nfs/dbraw/zinc/63/55/90/606635590.db2.gz PAWJGOCWWWTWHO-UHFFFAOYSA-N -1 3 379.398 0.057 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)OCC(=O)C1CCC1 ZINC000823009615 606635591 /nfs/dbraw/zinc/63/55/91/606635591.db2.gz PAWJGOCWWWTWHO-UHFFFAOYSA-N -1 3 379.398 0.057 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000821756655 606636068 /nfs/dbraw/zinc/63/60/68/606636068.db2.gz QKNKUIPDNNPLBI-JQWIXIFHSA-N -1 3 390.400 0.124 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000821756655 606636069 /nfs/dbraw/zinc/63/60/69/606636069.db2.gz QKNKUIPDNNPLBI-JQWIXIFHSA-N -1 3 390.400 0.124 20 0 GCADHM CN1CCN(S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)CC1 ZINC000821628217 606638792 /nfs/dbraw/zinc/63/87/92/606638792.db2.gz CLSOYAFFYHIXFA-UHFFFAOYSA-N -1 3 387.263 0.565 20 0 GCADHM CN1CCN(S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)CC1 ZINC000821628217 606638793 /nfs/dbraw/zinc/63/87/93/606638793.db2.gz CLSOYAFFYHIXFA-UHFFFAOYSA-N -1 3 387.263 0.565 20 0 GCADHM COCCN(C)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821689008 606638874 /nfs/dbraw/zinc/63/88/74/606638874.db2.gz HRGTUVCJSDMWII-UHFFFAOYSA-N -1 3 376.236 0.896 20 0 GCADHM COCCN(C)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821689008 606638875 /nfs/dbraw/zinc/63/88/75/606638875.db2.gz HRGTUVCJSDMWII-UHFFFAOYSA-N -1 3 376.236 0.896 20 0 GCADHM O=C1OCC[C@@H]1NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000823551304 606639139 /nfs/dbraw/zinc/63/91/39/606639139.db2.gz MBWDAWDMAUTEGQ-VIFPVBQESA-N -1 3 388.203 0.223 20 0 GCADHM O=C1OCC[C@@H]1NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000823551304 606639140 /nfs/dbraw/zinc/63/91/40/606639140.db2.gz MBWDAWDMAUTEGQ-VIFPVBQESA-N -1 3 388.203 0.223 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)C2)no1 ZINC000822439882 606641139 /nfs/dbraw/zinc/64/11/39/606641139.db2.gz DZTFWHMQWNFBMQ-ZDUSSCGKSA-N -1 3 398.427 0.670 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)C2)no1 ZINC000822439882 606641140 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ZINC000820488939 606762112 /nfs/dbraw/zinc/76/21/12/606762112.db2.gz XBJVUVAAUATKLG-IUCAKERBSA-N -1 3 392.803 0.917 20 0 GCADHM C[C@H](OC(=O)[C@H]1CCNC(=O)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820488939 606762114 /nfs/dbraw/zinc/76/21/14/606762114.db2.gz XBJVUVAAUATKLG-IUCAKERBSA-N -1 3 392.803 0.917 20 0 GCADHM O=C1C[C@H](N2CCO[C@@H]([C@@H]3CCCO3)C2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000823521583 606762593 /nfs/dbraw/zinc/76/25/93/606762593.db2.gz XMFMUESGIAFZLX-HRCADAONSA-N -1 3 398.423 0.378 20 0 GCADHM O=C1C[C@H](N2CCO[C@@H]([C@@H]3CCCO3)C2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000823521583 606762595 /nfs/dbraw/zinc/76/25/95/606762595.db2.gz XMFMUESGIAFZLX-HRCADAONSA-N -1 3 398.423 0.378 20 0 GCADHM O=C1C[C@H](N2CCO[C@H]([C@H]3CCCO3)C2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000823521586 606763034 /nfs/dbraw/zinc/76/30/34/606763034.db2.gz XMFMUESGIAFZLX-XHSDSOJGSA-N -1 3 398.423 0.378 20 0 GCADHM O=C1C[C@H](N2CCO[C@H]([C@H]3CCCO3)C2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000823521586 606763035 /nfs/dbraw/zinc/76/30/35/606763035.db2.gz XMFMUESGIAFZLX-XHSDSOJGSA-N -1 3 398.423 0.378 20 0 GCADHM O=C(COC(=O)[C@H]1CCNC(=O)C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823519830 606764101 /nfs/dbraw/zinc/76/41/01/606764101.db2.gz JDEAVXRTSLZOGX-QMMMGPOBSA-N -1 3 378.776 0.528 20 0 GCADHM O=C(COC(=O)[C@H]1CCNC(=O)C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823519830 606764102 /nfs/dbraw/zinc/76/41/02/606764102.db2.gz JDEAVXRTSLZOGX-QMMMGPOBSA-N -1 3 378.776 0.528 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)c1-c1nnn[n-]1 ZINC000822308456 606765039 /nfs/dbraw/zinc/76/50/39/606765039.db2.gz FKNIISMXUCRNGA-UHFFFAOYSA-N -1 3 392.441 0.149 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(S(C)(=O)=O)CC2)c1-c1nn[n-]n1 ZINC000822308456 606765040 /nfs/dbraw/zinc/76/50/40/606765040.db2.gz FKNIISMXUCRNGA-UHFFFAOYSA-N -1 3 392.441 0.149 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3cc(-c4nnn[n-]4)ccc3Cl)C[C@H]21 ZINC000821628477 606766309 /nfs/dbraw/zinc/76/63/09/606766309.db2.gz JKFUNBNCJPFWLX-OLZOCXBDSA-N -1 3 391.819 0.000 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3cc(-c4nn[n-]n4)ccc3Cl)C[C@H]21 ZINC000821628477 606766310 /nfs/dbraw/zinc/76/63/10/606766310.db2.gz JKFUNBNCJPFWLX-OLZOCXBDSA-N -1 3 391.819 0.000 20 0 GCADHM Cc1nnc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2)[nH]1 ZINC000822436505 606766732 /nfs/dbraw/zinc/76/67/32/606766732.db2.gz NXWQYCIUPCWNSE-JTQLQIEISA-N -1 3 399.390 0.777 20 0 GCADHM Cc1nnc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2)[nH]1 ZINC000822436505 606766734 /nfs/dbraw/zinc/76/67/34/606766734.db2.gz NXWQYCIUPCWNSE-JTQLQIEISA-N -1 3 399.390 0.777 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)COc3ccccc3-c3nnn[n-]3)CCO2)cn1 ZINC000822668986 606767015 /nfs/dbraw/zinc/76/70/15/606767015.db2.gz FJYKSXNFQQZDIX-SFHVURJKSA-N -1 3 383.412 0.753 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)COc3ccccc3-c3nn[n-]n3)CCO2)cn1 ZINC000822668986 606767017 /nfs/dbraw/zinc/76/70/17/606767017.db2.gz FJYKSXNFQQZDIX-SFHVURJKSA-N -1 3 383.412 0.753 20 0 GCADHM Cc1nnc([C@@H]2CCCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)[nH]1 ZINC000822436427 606769361 /nfs/dbraw/zinc/76/93/61/606769361.db2.gz LXALSIJKZSOYMZ-CQSZACIVSA-N -1 3 395.427 0.429 20 0 GCADHM O=C1[C@H](N2CCO[C@H]([C@@H]3CCCO3)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823503579 606771020 /nfs/dbraw/zinc/77/10/20/606771020.db2.gz HLDDXMJECFSQSI-IKGGRYGDSA-N -1 3 384.440 0.852 20 0 GCADHM O=C1[C@H](N2CCO[C@H]([C@@H]3CCCO3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823503579 606771022 /nfs/dbraw/zinc/77/10/22/606771022.db2.gz HLDDXMJECFSQSI-IKGGRYGDSA-N -1 3 384.440 0.852 20 0 GCADHM O=C1[C@H](N2CCO[C@@H]([C@H]3CCCO3)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823503578 606771131 /nfs/dbraw/zinc/77/11/31/606771131.db2.gz HLDDXMJECFSQSI-BRWVUGGUSA-N -1 3 384.440 0.852 20 0 GCADHM O=C1[C@H](N2CCO[C@@H]([C@H]3CCCO3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823503578 606771132 /nfs/dbraw/zinc/77/11/32/606771132.db2.gz HLDDXMJECFSQSI-BRWVUGGUSA-N -1 3 384.440 0.852 20 0 GCADHM Cc1oc(NC(=O)CN2CCO[C@H]([C@H]3CCCO3)C2)c(-c2nnn[n-]2)c1C ZINC000822548999 606771250 /nfs/dbraw/zinc/77/12/50/606771250.db2.gz REPOCVXIMDZZQM-OLZOCXBDSA-N -1 3 376.417 0.895 20 0 GCADHM CN(C)C(=O)CCN1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821575682 606772132 /nfs/dbraw/zinc/77/21/32/606772132.db2.gz LNHLGNCBWMYLBQ-UHFFFAOYSA-N -1 3 390.423 0.634 20 0 GCADHM CN(C)C(=O)CCN1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821575682 606772133 /nfs/dbraw/zinc/77/21/33/606772133.db2.gz LNHLGNCBWMYLBQ-UHFFFAOYSA-N -1 3 390.423 0.634 20 0 GCADHM CC1(C)CN(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000820601405 606775155 /nfs/dbraw/zinc/77/51/55/606775155.db2.gz KAGBRZPVBLDADC-UHFFFAOYSA-N -1 3 378.458 0.704 20 0 GCADHM CC1(C)CN(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820601405 606775158 /nfs/dbraw/zinc/77/51/58/606775158.db2.gz KAGBRZPVBLDADC-UHFFFAOYSA-N -1 3 378.458 0.704 20 0 GCADHM CC1(C)CN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCS1(=O)=O ZINC000820601092 606775233 /nfs/dbraw/zinc/77/52/33/606775233.db2.gz BNTFURGNYSCXNQ-CQSZACIVSA-N -1 3 390.469 0.481 20 0 GCADHM CC1(C)CN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCS1(=O)=O ZINC000820601092 606775235 /nfs/dbraw/zinc/77/52/35/606775235.db2.gz BNTFURGNYSCXNQ-CQSZACIVSA-N -1 3 390.469 0.481 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000819877545 606775662 /nfs/dbraw/zinc/77/56/62/606775662.db2.gz YBIQIFFNCLJSOJ-NSHDSACASA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000819877545 606775663 /nfs/dbraw/zinc/77/56/63/606775663.db2.gz YBIQIFFNCLJSOJ-NSHDSACASA-N -1 3 378.458 0.703 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000821652268 606776262 /nfs/dbraw/zinc/77/62/62/606776262.db2.gz OXUMZZGOLBBPLV-ZDUSSCGKSA-N -1 3 379.442 0.590 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000821652268 606776263 /nfs/dbraw/zinc/77/62/63/606776263.db2.gz OXUMZZGOLBBPLV-ZDUSSCGKSA-N -1 3 379.442 0.590 20 0 GCADHM COc1ncc(N[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1C(N)=O ZINC000821920668 606777058 /nfs/dbraw/zinc/77/70/58/606777058.db2.gz VZMPJSZZEDFNFF-VIFPVBQESA-N -1 3 382.384 0.808 20 0 GCADHM COc1ncc(N[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1C(N)=O ZINC000821920668 606777059 /nfs/dbraw/zinc/77/70/59/606777059.db2.gz VZMPJSZZEDFNFF-VIFPVBQESA-N -1 3 382.384 0.808 20 0 GCADHM COc1ncc(N[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cc1C(N)=O ZINC000821920667 606777131 /nfs/dbraw/zinc/77/71/31/606777131.db2.gz VZMPJSZZEDFNFF-SECBINFHSA-N -1 3 382.384 0.808 20 0 GCADHM COc1ncc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cc1C(N)=O ZINC000821920667 606777132 /nfs/dbraw/zinc/77/71/32/606777132.db2.gz VZMPJSZZEDFNFF-SECBINFHSA-N -1 3 382.384 0.808 20 0 GCADHM Cc1csc(=O)n1CCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000822408654 606779462 /nfs/dbraw/zinc/77/94/62/606779462.db2.gz GOMRBFDBERVFNI-LLVKDONJSA-N -1 3 387.473 0.399 20 0 GCADHM Cc1csc(=O)n1CCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000822408654 606779464 /nfs/dbraw/zinc/77/94/64/606779464.db2.gz GOMRBFDBERVFNI-LLVKDONJSA-N -1 3 387.473 0.399 20 0 GCADHM O=C(COc1cc(Cl)ccc1-c1nnn[n-]1)N1CCN(C(=O)C2CC2)CC1 ZINC000823031755 606781756 /nfs/dbraw/zinc/78/17/56/606781756.db2.gz IFSINSYVTFBVIY-UHFFFAOYSA-N -1 3 390.831 0.980 20 0 GCADHM O=C(COc1cc(Cl)ccc1-c1nn[n-]n1)N1CCN(C(=O)C2CC2)CC1 ZINC000823031755 606781758 /nfs/dbraw/zinc/78/17/58/606781758.db2.gz IFSINSYVTFBVIY-UHFFFAOYSA-N -1 3 390.831 0.980 20 0 GCADHM CCc1cc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)[nH]n1 ZINC000821469251 606792421 /nfs/dbraw/zinc/79/24/21/606792421.db2.gz ADDDFAHRBPYVCM-LLVKDONJSA-N -1 3 397.447 0.363 20 0 GCADHM CCc1cc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)[nH]n1 ZINC000821469251 606792423 /nfs/dbraw/zinc/79/24/23/606792423.db2.gz ADDDFAHRBPYVCM-LLVKDONJSA-N -1 3 397.447 0.363 20 0 GCADHM CS(=O)(=O)CCCS(=O)(=O)Oc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821927408 606792769 /nfs/dbraw/zinc/79/27/69/606792769.db2.gz VNGIHXMKGNZIBY-UHFFFAOYSA-N -1 3 380.835 0.663 20 0 GCADHM CS(=O)(=O)CCCS(=O)(=O)Oc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821927408 606792770 /nfs/dbraw/zinc/79/27/70/606792770.db2.gz VNGIHXMKGNZIBY-UHFFFAOYSA-N -1 3 380.835 0.663 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820248611 606793888 /nfs/dbraw/zinc/79/38/88/606793888.db2.gz LGNCEBZSBBPFJZ-MRVPVSSYSA-N -1 3 377.423 0.107 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820248611 606793889 /nfs/dbraw/zinc/79/38/89/606793889.db2.gz LGNCEBZSBBPFJZ-MRVPVSSYSA-N -1 3 377.423 0.107 20 0 GCADHM COc1ncc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C(N)=O ZINC000821920683 606807461 /nfs/dbraw/zinc/80/74/61/606807461.db2.gz WKDKZMJABITYPP-UHFFFAOYSA-N -1 3 386.347 0.830 20 0 GCADHM COc1ncc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C(N)=O ZINC000821920683 606807463 /nfs/dbraw/zinc/80/74/63/606807463.db2.gz WKDKZMJABITYPP-UHFFFAOYSA-N -1 3 386.347 0.830 20 0 GCADHM Cc1nc(SCC(=O)N[C@H]2CC[S@@](=O)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000822452987 606808288 /nfs/dbraw/zinc/80/82/88/606808288.db2.gz DDYCQMSMVAHMFQ-JPQMIFPKSA-N -1 3 380.499 0.916 20 0 GCADHM Cc1nc(SCC(=O)N[C@H]2CC[S@@](=O)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000822452987 606808289 /nfs/dbraw/zinc/80/82/89/606808289.db2.gz DDYCQMSMVAHMFQ-JPQMIFPKSA-N -1 3 380.499 0.916 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H]2CC[S@](=O)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000822452988 606808479 /nfs/dbraw/zinc/80/84/79/606808479.db2.gz DDYCQMSMVAHMFQ-NDHGSNPTSA-N -1 3 380.499 0.916 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H]2CC[S@](=O)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000822452988 606808482 /nfs/dbraw/zinc/80/84/82/606808482.db2.gz DDYCQMSMVAHMFQ-NDHGSNPTSA-N -1 3 380.499 0.916 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820293233 606809080 /nfs/dbraw/zinc/80/90/80/606809080.db2.gz JIRWZFKXQNRPIB-SNVBAGLBSA-N -1 3 385.471 0.453 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820293233 606809082 /nfs/dbraw/zinc/80/90/82/606809082.db2.gz JIRWZFKXQNRPIB-SNVBAGLBSA-N -1 3 385.471 0.453 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000820248067 606813446 /nfs/dbraw/zinc/81/34/46/606813446.db2.gz CEKGDMSCGWYWOK-WFASDCNBSA-N -1 3 392.485 0.775 20 0 GCADHM CC(C)(C)OCCCOC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000819949976 606816742 /nfs/dbraw/zinc/81/67/42/606816742.db2.gz DVZAMJUSYHYYKP-UHFFFAOYSA-N -1 3 397.457 0.893 20 0 GCADHM CC(C)(C)OCCCOC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000819949976 606816744 /nfs/dbraw/zinc/81/67/44/606816744.db2.gz DVZAMJUSYHYYKP-UHFFFAOYSA-N -1 3 397.457 0.893 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000820838640 606817121 /nfs/dbraw/zinc/81/71/21/606817121.db2.gz YQTFPDHYOAOARU-SNVBAGLBSA-N -1 3 375.364 0.071 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000820838640 606817123 /nfs/dbraw/zinc/81/71/23/606817123.db2.gz YQTFPDHYOAOARU-SNVBAGLBSA-N -1 3 375.364 0.071 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@]1(CCO)CCOC1 ZINC000821700777 606818788 /nfs/dbraw/zinc/81/87/88/606818788.db2.gz XHIXAOBGFWVHEP-KRWDZBQOSA-N -1 3 377.401 0.159 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821931712 606818769 /nfs/dbraw/zinc/81/87/69/606818769.db2.gz GPNDWNYUDFYGGR-DGCLKSJQSA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821931712 606818771 /nfs/dbraw/zinc/81/87/71/606818771.db2.gz GPNDWNYUDFYGGR-DGCLKSJQSA-N -1 3 394.457 0.080 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@]1(CCO)CCOC1 ZINC000821700777 606818790 /nfs/dbraw/zinc/81/87/90/606818790.db2.gz XHIXAOBGFWVHEP-KRWDZBQOSA-N -1 3 377.401 0.159 20 0 GCADHM O=C(NCCc1ccncc1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823223809 606824695 /nfs/dbraw/zinc/82/46/95/606824695.db2.gz KGFLXHNZZZRPRN-UHFFFAOYSA-N -1 3 379.428 0.731 20 0 GCADHM O=C(NCCc1ccncc1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823223809 606824696 /nfs/dbraw/zinc/82/46/96/606824696.db2.gz KGFLXHNZZZRPRN-UHFFFAOYSA-N -1 3 379.428 0.731 20 0 GCADHM Cc1nn(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c(N)c1-c1nnn[n-]1 ZINC000822501078 606827067 /nfs/dbraw/zinc/82/70/67/606827067.db2.gz UNCDBBDEFYGFCX-UHFFFAOYSA-N -1 3 395.427 0.162 20 0 GCADHM Cc1nn(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c(N)c1-c1nn[n-]n1 ZINC000822501078 606827069 /nfs/dbraw/zinc/82/70/69/606827069.db2.gz UNCDBBDEFYGFCX-UHFFFAOYSA-N -1 3 395.427 0.162 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821932006 606830473 /nfs/dbraw/zinc/83/04/73/606830473.db2.gz ILHOFYZSKVOHOH-JSGCOSHPSA-N -1 3 393.473 0.113 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000821286285 606831606 /nfs/dbraw/zinc/83/16/06/606831606.db2.gz PNZMWJYMNBVWJG-UHFFFAOYSA-N -1 3 399.864 0.556 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000821286285 606831608 /nfs/dbraw/zinc/83/16/08/606831608.db2.gz PNZMWJYMNBVWJG-UHFFFAOYSA-N -1 3 399.864 0.556 20 0 GCADHM Cc1nccn1CCCC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000822477323 606832013 /nfs/dbraw/zinc/83/20/13/606832013.db2.gz KWZHPVUJFSBEBE-ZDUSSCGKSA-N -1 3 396.459 0.679 20 0 GCADHM Cc1nccn1CCCC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000822477323 606832015 /nfs/dbraw/zinc/83/20/15/606832015.db2.gz KWZHPVUJFSBEBE-ZDUSSCGKSA-N -1 3 396.459 0.679 20 0 GCADHM O=C(CNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)NCCO ZINC000823005398 606833261 /nfs/dbraw/zinc/83/32/61/606833261.db2.gz PSUNTQKBRCVYAR-UHFFFAOYSA-N -1 3 382.380 0.497 20 0 GCADHM O=C(CNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)NCCO ZINC000823005398 606833264 /nfs/dbraw/zinc/83/32/64/606833264.db2.gz PSUNTQKBRCVYAR-UHFFFAOYSA-N -1 3 382.380 0.497 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823206465 606833951 /nfs/dbraw/zinc/83/39/51/606833951.db2.gz SKYCNFLXHXREQW-KGLIPLIRSA-N -1 3 388.432 0.263 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823206465 606833953 /nfs/dbraw/zinc/83/39/53/606833953.db2.gz SKYCNFLXHXREQW-KGLIPLIRSA-N -1 3 388.432 0.263 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000820481276 606833981 /nfs/dbraw/zinc/83/39/81/606833981.db2.gz UJQGHZUPBIKDKP-GFCCVEGCSA-N -1 3 398.427 0.582 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)nn1 ZINC000820480734 606833991 /nfs/dbraw/zinc/83/39/91/606833991.db2.gz NQEDFAHEHUKHBK-GFCCVEGCSA-N -1 3 397.443 0.297 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)nn1 ZINC000820480734 606833993 /nfs/dbraw/zinc/83/39/93/606833993.db2.gz NQEDFAHEHUKHBK-GFCCVEGCSA-N -1 3 397.443 0.297 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823333141 606838840 /nfs/dbraw/zinc/83/88/40/606838840.db2.gz YKPPEGZDPLAWSO-ZIAGYGMSSA-N -1 3 390.375 0.351 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823333141 606838842 /nfs/dbraw/zinc/83/88/42/606838842.db2.gz YKPPEGZDPLAWSO-ZIAGYGMSSA-N -1 3 390.375 0.351 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823337430 606838846 /nfs/dbraw/zinc/83/88/46/606838846.db2.gz LWAAXHIIFYUJFC-ZIAGYGMSSA-N -1 3 390.375 0.351 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823337430 606838848 /nfs/dbraw/zinc/83/88/48/606838848.db2.gz LWAAXHIIFYUJFC-ZIAGYGMSSA-N -1 3 390.375 0.351 20 0 GCADHM CCOC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821325577 606840440 /nfs/dbraw/zinc/84/04/40/606840440.db2.gz GREKCAXWIOPKLV-UHFFFAOYSA-N -1 3 383.405 0.970 20 0 GCADHM O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000822912421 606841514 /nfs/dbraw/zinc/84/15/14/606841514.db2.gz ZKRAMJGHPYMNRB-UHFFFAOYSA-N -1 3 380.405 0.249 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCN1CCOC ZINC000820995828 606843328 /nfs/dbraw/zinc/84/33/28/606843328.db2.gz YUALUURGESWIAI-ZDUSSCGKSA-N -1 3 398.464 0.737 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCN1CCOC ZINC000820995828 606843330 /nfs/dbraw/zinc/84/33/30/606843330.db2.gz YUALUURGESWIAI-ZDUSSCGKSA-N -1 3 398.464 0.737 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000819883300 606843375 /nfs/dbraw/zinc/84/33/75/606843375.db2.gz GULSUOARPGPLJJ-IUCAKERBSA-N -1 3 391.450 0.448 20 0 GCADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821638767 606843774 /nfs/dbraw/zinc/84/37/74/606843774.db2.gz HTXLDOLIUZIVIA-GFCCVEGCSA-N -1 3 394.457 0.128 20 0 GCADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821638767 606843776 /nfs/dbraw/zinc/84/37/76/606843776.db2.gz HTXLDOLIUZIVIA-GFCCVEGCSA-N -1 3 394.457 0.128 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@H]1C ZINC000821691500 606844000 /nfs/dbraw/zinc/84/40/00/606844000.db2.gz WVKJSPOLTYHLQB-LLVKDONJSA-N -1 3 384.437 0.347 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821113828 606844067 /nfs/dbraw/zinc/84/40/67/606844067.db2.gz FFVQRNIUGKMZDK-NSHDSACASA-N -1 3 396.448 0.933 20 0 GCADHM NC(=O)CC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822865118 606844503 /nfs/dbraw/zinc/84/45/03/606844503.db2.gz VUSMGJUAOIHNJE-JTQLQIEISA-N -1 3 382.421 0.672 20 0 GCADHM Cn1cc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)C2)cn1 ZINC000822674117 606844690 /nfs/dbraw/zinc/84/46/90/606844690.db2.gz LPNAVEKNKXXASV-SNVBAGLBSA-N -1 3 377.405 0.918 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821597946 606845119 /nfs/dbraw/zinc/84/51/19/606845119.db2.gz LYEGQBXZIMRPRW-SECBINFHSA-N -1 3 389.434 0.061 20 0 GCADHM Cn1cc(C[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)C2)cn1 ZINC000822674200 606845608 /nfs/dbraw/zinc/84/56/08/606845608.db2.gz NJVZFFPAXAPECH-NSHDSACASA-N -1 3 391.432 0.993 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820734352 606847996 /nfs/dbraw/zinc/84/79/96/606847996.db2.gz LXEOCNXVMAZXLM-NHYWBVRUSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820734352 606847997 /nfs/dbraw/zinc/84/79/97/606847997.db2.gz LXEOCNXVMAZXLM-NHYWBVRUSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820733354 606848180 /nfs/dbraw/zinc/84/81/80/606848180.db2.gz FPCKOPXZYVHTIO-NHYWBVRUSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820733354 606848182 /nfs/dbraw/zinc/84/81/82/606848182.db2.gz FPCKOPXZYVHTIO-NHYWBVRUSA-N -1 3 390.469 0.792 20 0 GCADHM CC[C@@H](C)NC(=O)CN1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820877027 606850817 /nfs/dbraw/zinc/85/08/17/606850817.db2.gz YGIUUQQRFKCIGD-RHSMWYFYSA-N -1 3 387.488 0.432 20 0 GCADHM Cn1c(SC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCOCC1 ZINC000822604997 606854497 /nfs/dbraw/zinc/85/44/97/606854497.db2.gz UBYOBKBHXQGVJN-CYBMUJFWSA-N -1 3 388.457 0.658 20 0 GCADHM Cn1c(SC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCOCC1 ZINC000822604997 606854499 /nfs/dbraw/zinc/85/44/99/606854499.db2.gz UBYOBKBHXQGVJN-CYBMUJFWSA-N -1 3 388.457 0.658 20 0 GCADHM CCn1ccnc1CN1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821566881 606859342 /nfs/dbraw/zinc/85/93/42/606859342.db2.gz YOGAMKKHBIQZPH-KRWDZBQOSA-N -1 3 382.472 0.934 20 0 GCADHM COC(=O)c1cccc(CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000821670033 606863201 /nfs/dbraw/zinc/86/32/01/606863201.db2.gz JWPKNDJMMSSNPA-UHFFFAOYSA-N -1 3 396.411 0.960 20 0 GCADHM COC(=O)c1cccc(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821670033 606863203 /nfs/dbraw/zinc/86/32/03/606863203.db2.gz JWPKNDJMMSSNPA-UHFFFAOYSA-N -1 3 396.411 0.960 20 0 GCADHM NC(=O)[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850795 606863544 /nfs/dbraw/zinc/86/35/44/606863544.db2.gz QMIZCHVWQDCNKN-MRXNPFEDSA-N -1 3 398.448 0.513 20 0 GCADHM NC(=O)[C@H](NCc1ccc2c(c1)CCS2(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850795 606863545 /nfs/dbraw/zinc/86/35/45/606863545.db2.gz QMIZCHVWQDCNKN-MRXNPFEDSA-N -1 3 398.448 0.513 20 0 GCADHM O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)CCN12 ZINC000799791285 606877382 /nfs/dbraw/zinc/87/73/82/606877382.db2.gz YVOQVZGKKNTPTN-MRVPVSSYSA-N -1 3 384.805 0.345 20 0 GCADHM O=C1OC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)CCN12 ZINC000799791285 606877386 /nfs/dbraw/zinc/87/73/86/606877386.db2.gz YVOQVZGKKNTPTN-MRVPVSSYSA-N -1 3 384.805 0.345 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC2(CC1)OCCO2 ZINC000823594795 606885213 /nfs/dbraw/zinc/88/52/13/606885213.db2.gz PTSMFQQPOUJVRV-UHFFFAOYSA-N -1 3 387.368 0.673 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC2(CC1)OCCO2 ZINC000823594795 606885214 /nfs/dbraw/zinc/88/52/14/606885214.db2.gz PTSMFQQPOUJVRV-UHFFFAOYSA-N -1 3 387.368 0.673 20 0 GCADHM CCN(CCC(=O)OC)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821206553 606885895 /nfs/dbraw/zinc/88/58/95/606885895.db2.gz CXANFCWFSYCFSJ-UHFFFAOYSA-N -1 3 375.357 0.719 20 0 GCADHM CCN(CCC(=O)OC)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821206553 606885897 /nfs/dbraw/zinc/88/58/97/606885897.db2.gz CXANFCWFSYCFSJ-UHFFFAOYSA-N -1 3 375.357 0.719 20 0 GCADHM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820684227 606885987 /nfs/dbraw/zinc/88/59/87/606885987.db2.gz NMGVGWHEIJDPPA-YUMQZZPRSA-N -1 3 386.384 0.419 20 0 GCADHM C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820684227 606885989 /nfs/dbraw/zinc/88/59/89/606885989.db2.gz NMGVGWHEIJDPPA-YUMQZZPRSA-N -1 3 386.384 0.419 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCN1C1CC1 ZINC000823536090 606894980 /nfs/dbraw/zinc/89/49/80/606894980.db2.gz RCFKIWBRKLUXHE-UHFFFAOYSA-N -1 3 384.368 0.140 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCN1C1CC1 ZINC000823536090 606894981 /nfs/dbraw/zinc/89/49/81/606894981.db2.gz RCFKIWBRKLUXHE-UHFFFAOYSA-N -1 3 384.368 0.140 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000823594599 606895255 /nfs/dbraw/zinc/89/52/55/606895255.db2.gz MSGCVZWFAKQKLK-SNVBAGLBSA-N -1 3 396.383 0.762 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000823594599 606895256 /nfs/dbraw/zinc/89/52/56/606895256.db2.gz MSGCVZWFAKQKLK-SNVBAGLBSA-N -1 3 396.383 0.762 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCC[C@H](n2cncn2)C1 ZINC000823594598 606895264 /nfs/dbraw/zinc/89/52/64/606895264.db2.gz MSGCVZWFAKQKLK-JTQLQIEISA-N -1 3 396.383 0.762 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCC[C@H](n2cncn2)C1 ZINC000823594598 606895265 /nfs/dbraw/zinc/89/52/65/606895265.db2.gz MSGCVZWFAKQKLK-JTQLQIEISA-N -1 3 396.383 0.762 20 0 GCADHM COC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821655266 606895707 /nfs/dbraw/zinc/89/57/07/606895707.db2.gz ILCGEGYYMZCDKP-LLVKDONJSA-N -1 3 387.368 0.861 20 0 GCADHM COC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821655266 606895709 /nfs/dbraw/zinc/89/57/09/606895709.db2.gz ILCGEGYYMZCDKP-LLVKDONJSA-N -1 3 387.368 0.861 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822860422 606897994 /nfs/dbraw/zinc/89/79/94/606897994.db2.gz UNGRVPLZJSDAPS-KBPBESRZSA-N -1 3 378.458 0.720 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822860422 606897996 /nfs/dbraw/zinc/89/79/96/606897996.db2.gz UNGRVPLZJSDAPS-KBPBESRZSA-N -1 3 378.458 0.720 20 0 GCADHM CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821633938 606901418 /nfs/dbraw/zinc/90/14/18/606901418.db2.gz LECFNAHPHKFJFU-LURJTMIESA-N -1 3 386.290 0.886 20 0 GCADHM CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821633938 606901420 /nfs/dbraw/zinc/90/14/20/606901420.db2.gz LECFNAHPHKFJFU-LURJTMIESA-N -1 3 386.290 0.886 20 0 GCADHM COC(=O)c1cccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821669918 606902650 /nfs/dbraw/zinc/90/26/50/606902650.db2.gz DXLGCMNQCIRLIM-UHFFFAOYSA-N -1 3 394.391 0.700 20 0 GCADHM COC(=O)c1cccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821669918 606902652 /nfs/dbraw/zinc/90/26/52/606902652.db2.gz DXLGCMNQCIRLIM-UHFFFAOYSA-N -1 3 394.391 0.700 20 0 GCADHM O=C([C@H]1CCCc2n[nH]cc21)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822918135 606903181 /nfs/dbraw/zinc/90/31/81/606903181.db2.gz ZRAXMMZIRZINKA-ZDUSSCGKSA-N -1 3 379.428 0.754 20 0 GCADHM O=C(COC(=O)[C@@H]1CCCc2n[nH]cc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823018667 606903509 /nfs/dbraw/zinc/90/35/09/606903509.db2.gz VVVWWBTYLXBYHR-CYBMUJFWSA-N -1 3 381.396 0.869 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000821696909 606904392 /nfs/dbraw/zinc/90/43/92/606904392.db2.gz UBWZVTOEMQZJBG-YSKGHYERSA-N -1 3 380.412 0.749 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696909 606904393 /nfs/dbraw/zinc/90/43/93/606904393.db2.gz UBWZVTOEMQZJBG-YSKGHYERSA-N -1 3 380.412 0.749 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)CC2 ZINC000821696469 606904623 /nfs/dbraw/zinc/90/46/23/606904623.db2.gz DMUGTWPUJWPLAN-VXGBXAGGSA-N -1 3 398.427 0.503 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696469 606904625 /nfs/dbraw/zinc/90/46/25/606904625.db2.gz DMUGTWPUJWPLAN-VXGBXAGGSA-N -1 3 398.427 0.503 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)CC2 ZINC000821696370 606904646 /nfs/dbraw/zinc/90/46/46/606904646.db2.gz AMEFBYVCVCJIPN-SECBINFHSA-N -1 3 390.354 0.628 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000821696370 606904648 /nfs/dbraw/zinc/90/46/48/606904648.db2.gz AMEFBYVCVCJIPN-SECBINFHSA-N -1 3 390.354 0.628 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696528 606904793 /nfs/dbraw/zinc/90/47/93/606904793.db2.gz GYBNZNCWFNXXIZ-LBPRGKRZSA-N -1 3 384.400 0.115 20 0 GCADHM CN(C[C@@H]1CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1)c1cccnn1 ZINC000821598088 606905482 /nfs/dbraw/zinc/90/54/82/606905482.db2.gz QKLCMFDUZPHLQK-IAGOWNOFSA-N -1 3 396.455 0.527 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823488587 606907291 /nfs/dbraw/zinc/90/72/91/606907291.db2.gz QHAPTIABOKKNQZ-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823488587 606907293 /nfs/dbraw/zinc/90/72/93/606907293.db2.gz QHAPTIABOKKNQZ-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM O=S1(=O)CCN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@H]2CCCC[C@H]21 ZINC000823614764 606912453 /nfs/dbraw/zinc/91/24/53/606912453.db2.gz SJVMMMCEHOMXPV-HRCADAONSA-N -1 3 377.470 0.942 20 0 GCADHM O=S1(=O)CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@H]2CCCC[C@H]21 ZINC000823614764 606912455 /nfs/dbraw/zinc/91/24/55/606912455.db2.gz SJVMMMCEHOMXPV-HRCADAONSA-N -1 3 377.470 0.942 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000820704355 606913870 /nfs/dbraw/zinc/91/38/70/606913870.db2.gz NWWHCUQRAGWMEX-BUXKBTBVSA-N -1 3 397.439 0.892 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000820704355 606913872 /nfs/dbraw/zinc/91/38/72/606913872.db2.gz NWWHCUQRAGWMEX-BUXKBTBVSA-N -1 3 397.439 0.892 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)CNc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696412 606914186 /nfs/dbraw/zinc/91/41/86/606914186.db2.gz CHTOCQIHHVJNRW-CYBMUJFWSA-N -1 3 383.416 0.148 20 0 GCADHM Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CCO2 ZINC000822496698 606914581 /nfs/dbraw/zinc/91/45/81/606914581.db2.gz SRBSURRUDRIMNB-UHFFFAOYSA-N -1 3 379.377 0.635 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822859955 606914698 /nfs/dbraw/zinc/91/46/98/606914698.db2.gz KNIZEKFMFXURPN-KBPBESRZSA-N -1 3 385.428 0.147 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822859955 606914699 /nfs/dbraw/zinc/91/46/99/606914699.db2.gz KNIZEKFMFXURPN-KBPBESRZSA-N -1 3 385.428 0.147 20 0 GCADHM CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821626956 606917924 /nfs/dbraw/zinc/91/79/24/606917924.db2.gz HFQCOOVSYKRKAD-LBPRGKRZSA-N -1 3 390.448 0.476 20 0 GCADHM CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000821626956 606917925 /nfs/dbraw/zinc/91/79/25/606917925.db2.gz HFQCOOVSYKRKAD-LBPRGKRZSA-N -1 3 390.448 0.476 20 0 GCADHM CCc1nnc(N2CCC(C(=O)NCCOC)CC2)c(-c2nnn[n-]2)c1CC ZINC000821522093 606918742 /nfs/dbraw/zinc/91/87/42/606918742.db2.gz JQQPIZVDTJBFAO-UHFFFAOYSA-N -1 3 388.476 0.761 20 0 GCADHM CCc1nnc(N2CCC(C(=O)NCCOC)CC2)c(-c2nn[n-]n2)c1CC ZINC000821522093 606918744 /nfs/dbraw/zinc/91/87/44/606918744.db2.gz JQQPIZVDTJBFAO-UHFFFAOYSA-N -1 3 388.476 0.761 20 0 GCADHM CC(C)S(=O)(=O)CCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820178580 606923113 /nfs/dbraw/zinc/92/31/13/606923113.db2.gz UQDLYUSZDXTNRB-UHFFFAOYSA-N -1 3 387.487 0.701 20 0 GCADHM CC(C)S(=O)(=O)CCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820178580 606923114 /nfs/dbraw/zinc/92/31/14/606923114.db2.gz UQDLYUSZDXTNRB-UHFFFAOYSA-N -1 3 387.487 0.701 20 0 GCADHM CCc1nc(CN2CCN(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000821509265 606928476 /nfs/dbraw/zinc/92/84/76/606928476.db2.gz FFDRJYSCWGVTMN-OAHLLOKOSA-N -1 3 384.444 0.663 20 0 GCADHM CCc1nnc(N2CCN(Cc3nnc(C)n3C)CC2)c(-c2nnn[n-]2)c1CC ZINC000821528173 606932405 /nfs/dbraw/zinc/93/24/05/606932405.db2.gz KNGMHJQMMVGPEY-UHFFFAOYSA-N -1 3 397.491 0.541 20 0 GCADHM CCc1nnc(N2CCN(Cc3nnc(C)n3C)CC2)c(-c2nn[n-]n2)c1CC ZINC000821528173 606932406 /nfs/dbraw/zinc/93/24/06/606932406.db2.gz KNGMHJQMMVGPEY-UHFFFAOYSA-N -1 3 397.491 0.541 20 0 GCADHM CCc1nnc(N[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)c(-c2nnn[n-]2)c1CC ZINC000821527884 606941648 /nfs/dbraw/zinc/94/16/48/606941648.db2.gz HTGZCJHPYDMDIF-GWCFXTLKSA-N -1 3 394.505 0.863 20 0 GCADHM CCc1nnc(N[C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)c(-c2nn[n-]n2)c1CC ZINC000821527884 606941651 /nfs/dbraw/zinc/94/16/51/606941651.db2.gz HTGZCJHPYDMDIF-GWCFXTLKSA-N -1 3 394.505 0.863 20 0 GCADHM CCc1nnc(N2CCC(OCCC(=O)NC)CC2)c(-c2nnn[n-]2)c1CC ZINC000821520749 606941727 /nfs/dbraw/zinc/94/17/27/606941727.db2.gz AAFYVFQGLRRTOZ-UHFFFAOYSA-N -1 3 388.476 0.903 20 0 GCADHM CCc1nnc(N2CCC(OCCC(=O)NC)CC2)c(-c2nn[n-]n2)c1CC ZINC000821520749 606941729 /nfs/dbraw/zinc/94/17/29/606941729.db2.gz AAFYVFQGLRRTOZ-UHFFFAOYSA-N -1 3 388.476 0.903 20 0 GCADHM CCc1nnc(N2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821522615 606941830 /nfs/dbraw/zinc/94/18/30/606941830.db2.gz MPFSKJXPHSLNTG-YPMLDQLKSA-N -1 3 399.459 0.596 20 0 GCADHM CCc1nnc(N2CCC[C@H]([C@]3(C)NC(=O)NC3=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821522615 606941832 /nfs/dbraw/zinc/94/18/32/606941832.db2.gz MPFSKJXPHSLNTG-YPMLDQLKSA-N -1 3 399.459 0.596 20 0 GCADHM CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(-c2nnn[n-]2)c1CC ZINC000821529613 606943340 /nfs/dbraw/zinc/94/33/40/606943340.db2.gz XYOSVCLCBKZVRK-LBPRGKRZSA-N -1 3 385.432 0.254 20 0 GCADHM CCc1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(-c2nn[n-]n2)c1CC ZINC000821529613 606943342 /nfs/dbraw/zinc/94/33/42/606943342.db2.gz XYOSVCLCBKZVRK-LBPRGKRZSA-N -1 3 385.432 0.254 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)[C@H]2CCCC[C@@H]2N1 ZINC000823536180 606943788 /nfs/dbraw/zinc/94/37/88/606943788.db2.gz UYFHJSAQTZHBRE-RYUDHWBXSA-N -1 3 380.405 0.438 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)[C@H]2CCCC[C@@H]2N1 ZINC000823536180 606943789 /nfs/dbraw/zinc/94/37/89/606943789.db2.gz UYFHJSAQTZHBRE-RYUDHWBXSA-N -1 3 380.405 0.438 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@H]2CCCC[C@@H]2N1 ZINC000823535642 606943835 /nfs/dbraw/zinc/94/38/35/606943835.db2.gz CPAAQEUPERRKPK-RYUDHWBXSA-N -1 3 398.395 0.577 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@H]2CCCC[C@@H]2N1 ZINC000823535642 606943836 /nfs/dbraw/zinc/94/38/36/606943836.db2.gz CPAAQEUPERRKPK-RYUDHWBXSA-N -1 3 398.395 0.577 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)[C@@H]2CCCC[C@@H]2N1 ZINC000823535641 606943850 /nfs/dbraw/zinc/94/38/50/606943850.db2.gz CPAAQEUPERRKPK-NWDGAFQWSA-N -1 3 398.395 0.577 20 0 GCADHM O=C1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)[C@@H]2CCCC[C@@H]2N1 ZINC000823535641 606943851 /nfs/dbraw/zinc/94/38/51/606943851.db2.gz CPAAQEUPERRKPK-NWDGAFQWSA-N -1 3 398.395 0.577 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]2CCCC[C@H]2N1 ZINC000823535864 606944071 /nfs/dbraw/zinc/94/40/71/606944071.db2.gz KGTBIEQFTBATPX-OLZOCXBDSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)[C@H]2CCCC[C@H]2N1 ZINC000823535864 606944073 /nfs/dbraw/zinc/94/40/73/606944073.db2.gz KGTBIEQFTBATPX-OLZOCXBDSA-N -1 3 396.860 0.952 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821694722 606944423 /nfs/dbraw/zinc/94/44/23/606944423.db2.gz ZOWNRDXVCYAWGI-UHFFFAOYSA-N -1 3 397.392 0.398 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821694722 606944424 /nfs/dbraw/zinc/94/44/24/606944424.db2.gz ZOWNRDXVCYAWGI-UHFFFAOYSA-N -1 3 397.392 0.398 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821694367 606944449 /nfs/dbraw/zinc/94/44/49/606944449.db2.gz KBDKCRFSEPMQAS-UHFFFAOYSA-N -1 3 393.429 0.400 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821694367 606944450 /nfs/dbraw/zinc/94/44/50/606944450.db2.gz KBDKCRFSEPMQAS-UHFFFAOYSA-N -1 3 393.429 0.400 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000820467294 606949387 /nfs/dbraw/zinc/94/93/87/606949387.db2.gz CWTVWUDXCPJXGT-NHYWBVRUSA-N -1 3 389.412 0.454 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000820467294 606949388 /nfs/dbraw/zinc/94/93/88/606949388.db2.gz CWTVWUDXCPJXGT-NHYWBVRUSA-N -1 3 389.412 0.454 20 0 GCADHM Nc1nsc(N2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000822912406 606953915 /nfs/dbraw/zinc/95/39/15/606953915.db2.gz YUCHBKLOCNLMGM-UHFFFAOYSA-N -1 3 387.429 0.028 20 0 GCADHM Nc1nsc(N2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000822912406 606953916 /nfs/dbraw/zinc/95/39/16/606953916.db2.gz YUCHBKLOCNLMGM-UHFFFAOYSA-N -1 3 387.429 0.028 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000822369133 606956728 /nfs/dbraw/zinc/95/67/28/606956728.db2.gz BGSCNEWYOZTBRS-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822369133 606956731 /nfs/dbraw/zinc/95/67/31/606956731.db2.gz BGSCNEWYOZTBRS-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821196594 606961150 /nfs/dbraw/zinc/96/11/50/606961150.db2.gz BMKZGIVRFIHGJS-UHFFFAOYSA-N -1 3 397.480 0.710 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821196594 606961151 /nfs/dbraw/zinc/96/11/51/606961151.db2.gz BMKZGIVRFIHGJS-UHFFFAOYSA-N -1 3 397.480 0.710 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000823309059 606967151 /nfs/dbraw/zinc/96/71/51/606967151.db2.gz RDSKMMXLOXPJKW-UHFFFAOYSA-N -1 3 397.439 0.809 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(N2CCCCC2=O)CC1 ZINC000823309059 606967153 /nfs/dbraw/zinc/96/71/53/606967153.db2.gz RDSKMMXLOXPJKW-UHFFFAOYSA-N -1 3 397.439 0.809 20 0 GCADHM CC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000821461726 606968255 /nfs/dbraw/zinc/96/82/55/606968255.db2.gz RGCZMIRELOGWQH-CYBMUJFWSA-N -1 3 388.428 0.833 20 0 GCADHM CC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000821461726 606968257 /nfs/dbraw/zinc/96/82/57/606968257.db2.gz RGCZMIRELOGWQH-CYBMUJFWSA-N -1 3 388.428 0.833 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C)CC1 ZINC000820717948 606978210 /nfs/dbraw/zinc/97/82/10/606978210.db2.gz ZDIUBHBPLGBAJC-LBPRGKRZSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)CC1 ZINC000820717948 606978211 /nfs/dbraw/zinc/97/82/11/606978211.db2.gz ZDIUBHBPLGBAJC-LBPRGKRZSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(C)CC1 ZINC000820717706 606978432 /nfs/dbraw/zinc/97/84/32/606978432.db2.gz UWJZICZPNPYHRR-LBPRGKRZSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(C)CC1 ZINC000820717706 606978434 /nfs/dbraw/zinc/97/84/34/606978434.db2.gz UWJZICZPNPYHRR-LBPRGKRZSA-N -1 3 378.458 0.792 20 0 GCADHM COCCc1noc(CN(C)[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000821694261 606983873 /nfs/dbraw/zinc/98/38/73/606983873.db2.gz FDGMGYIBMQYBCE-AWEZNQCLSA-N -1 3 398.427 0.676 20 0 GCADHM COCCc1noc(CN(C)[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000821694261 606983874 /nfs/dbraw/zinc/98/38/74/606983874.db2.gz FDGMGYIBMQYBCE-AWEZNQCLSA-N -1 3 398.427 0.676 20 0 GCADHM CN(C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821569891 606985269 /nfs/dbraw/zinc/98/52/69/606985269.db2.gz ZJTUXQQWJPJNAU-LBPRGKRZSA-N -1 3 379.442 0.670 20 0 GCADHM CN(C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000821569891 606985270 /nfs/dbraw/zinc/98/52/70/606985270.db2.gz ZJTUXQQWJPJNAU-LBPRGKRZSA-N -1 3 379.442 0.670 20 0 GCADHM COCCc1noc(CN(C)C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821694385 606987407 /nfs/dbraw/zinc/98/74/07/606987407.db2.gz KWTYHJGIUCJYBU-NSHDSACASA-N -1 3 387.400 0.865 20 0 GCADHM COC(=O)[C@@H](NCCS(=O)(=O)CC1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821642261 606987868 /nfs/dbraw/zinc/98/78/68/606987868.db2.gz GHCCBARAIFQLDT-AWEZNQCLSA-N -1 3 379.442 0.495 20 0 GCADHM COC(=O)[C@@H](NCCS(=O)(=O)CC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821642261 606987869 /nfs/dbraw/zinc/98/78/69/606987869.db2.gz GHCCBARAIFQLDT-AWEZNQCLSA-N -1 3 379.442 0.495 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C1CC1)C1CC1 ZINC000820437638 606988699 /nfs/dbraw/zinc/98/86/99/606988699.db2.gz AVYNUYMAYNCESH-SNVBAGLBSA-N -1 3 390.469 0.838 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C1CC1)C1CC1 ZINC000820437638 606988701 /nfs/dbraw/zinc/98/87/01/606988701.db2.gz AVYNUYMAYNCESH-SNVBAGLBSA-N -1 3 390.469 0.838 20 0 GCADHM Cn1nc2c(c1C(=O)N1CCN(c3cc(-c4nnn[n-]4)ccn3)CC1)CCCC2 ZINC000822704120 606989361 /nfs/dbraw/zinc/98/93/61/606989361.db2.gz HDMAJAISNXNXHH-UHFFFAOYSA-N -1 3 393.455 0.836 20 0 GCADHM Cn1nc2c(c1C(=O)N1CCN(c3cc(-c4nn[n-]n4)ccn3)CC1)CCCC2 ZINC000822704120 606989363 /nfs/dbraw/zinc/98/93/63/606989363.db2.gz HDMAJAISNXNXHH-UHFFFAOYSA-N -1 3 393.455 0.836 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCNS(C)(=O)=O ZINC000819996566 606990080 /nfs/dbraw/zinc/99/00/80/606990080.db2.gz HXHTUUYXJVJJKJ-UHFFFAOYSA-N -1 3 382.446 0.080 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCNS(C)(=O)=O ZINC000819996566 606990081 /nfs/dbraw/zinc/99/00/81/606990081.db2.gz HXHTUUYXJVJJKJ-UHFFFAOYSA-N -1 3 382.446 0.080 20 0 GCADHM CC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000820989389 606990656 /nfs/dbraw/zinc/99/06/56/606990656.db2.gz RKOPJXHSUJLAOF-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000820989389 606990657 /nfs/dbraw/zinc/99/06/57/606990657.db2.gz RKOPJXHSUJLAOF-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000819864962 606991954 /nfs/dbraw/zinc/99/19/54/606991954.db2.gz AQVULVKCMVNDDZ-LLVKDONJSA-N -1 3 379.442 0.465 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821933226 606992322 /nfs/dbraw/zinc/99/23/22/606992322.db2.gz XZSMFRNQCPFPIG-UHFFFAOYSA-N -1 3 383.405 0.721 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821933226 606992323 /nfs/dbraw/zinc/99/23/23/606992323.db2.gz XZSMFRNQCPFPIG-UHFFFAOYSA-N -1 3 383.405 0.721 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)OCc1ccc(F)c(-c3nnn[n-]3)c1)c2=O ZINC000822709966 606993820 /nfs/dbraw/zinc/99/38/20/606993820.db2.gz SQQAWZNNIMIHEN-UHFFFAOYSA-N -1 3 384.331 0.193 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)OCc1ccc(F)c(-c3nn[n-]n3)c1)c2=O ZINC000822709966 606993821 /nfs/dbraw/zinc/99/38/21/606993821.db2.gz SQQAWZNNIMIHEN-UHFFFAOYSA-N -1 3 384.331 0.193 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000820444003 606995352 /nfs/dbraw/zinc/99/53/52/606995352.db2.gz DCTXQQUCDOQOBO-COPLHBTASA-N -1 3 394.457 0.217 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000820444003 606995353 /nfs/dbraw/zinc/99/53/53/606995353.db2.gz DCTXQQUCDOQOBO-COPLHBTASA-N -1 3 394.457 0.217 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1(C)C ZINC000820438471 607000408 /nfs/dbraw/zinc/00/04/08/607000408.db2.gz QEKWCGVBUWMTEC-NSHDSACASA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1(C)C ZINC000820438471 607000410 /nfs/dbraw/zinc/00/04/10/607000410.db2.gz QEKWCGVBUWMTEC-NSHDSACASA-N -1 3 394.457 0.171 20 0 GCADHM Cc1occc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822553070 607001144 /nfs/dbraw/zinc/00/11/44/607001144.db2.gz IFXXDMZYWTUTHZ-JTQLQIEISA-N -1 3 390.425 0.751 20 0 GCADHM Cc1occc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822553070 607001146 /nfs/dbraw/zinc/00/11/46/607001146.db2.gz IFXXDMZYWTUTHZ-JTQLQIEISA-N -1 3 390.425 0.751 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccoc1 ZINC000820450295 607001857 /nfs/dbraw/zinc/00/18/57/607001857.db2.gz JGMOCXWROZVAQR-JTQLQIEISA-N -1 3 376.398 0.443 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccoc1 ZINC000820450295 607001859 /nfs/dbraw/zinc/00/18/59/607001859.db2.gz JGMOCXWROZVAQR-JTQLQIEISA-N -1 3 376.398 0.443 20 0 GCADHM Cc1oc(S(N)(=O)=O)cc1C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822549008 607003916 /nfs/dbraw/zinc/00/39/16/607003916.db2.gz RMCRAUUEPOGKQE-UHFFFAOYSA-N -1 3 381.345 0.912 20 0 GCADHM Cc1oc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1S(N)(=O)=O ZINC000822540477 607003933 /nfs/dbraw/zinc/00/39/33/607003933.db2.gz BICHAANXNZXRQF-UHFFFAOYSA-N -1 3 381.345 0.912 20 0 GCADHM Cc1oc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1S(N)(=O)=O ZINC000822540477 607003934 /nfs/dbraw/zinc/00/39/34/607003934.db2.gz BICHAANXNZXRQF-UHFFFAOYSA-N -1 3 381.345 0.912 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1nnc2n1CCCC2 ZINC000820447496 607004967 /nfs/dbraw/zinc/00/49/67/607004967.db2.gz ZFRBLXGFJJGDIV-SECBINFHSA-N -1 3 392.420 0.973 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1nnc2n1CCCC2 ZINC000820447496 607004969 /nfs/dbraw/zinc/00/49/69/607004969.db2.gz ZFRBLXGFJJGDIV-SECBINFHSA-N -1 3 392.420 0.973 20 0 GCADHM Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CC2)c1 ZINC000822374250 607006718 /nfs/dbraw/zinc/00/67/18/607006718.db2.gz NSVSODNVETVZBB-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CC2)c1 ZINC000822374250 607006719 /nfs/dbraw/zinc/00/67/19/607006719.db2.gz NSVSODNVETVZBB-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCOC(C)(C)C ZINC000820452122 607016846 /nfs/dbraw/zinc/01/68/46/607016846.db2.gz ZWVCOMSPOIFWCA-LLVKDONJSA-N -1 3 396.473 0.465 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCOC(C)(C)C ZINC000820452122 607016847 /nfs/dbraw/zinc/01/68/47/607016847.db2.gz ZWVCOMSPOIFWCA-LLVKDONJSA-N -1 3 396.473 0.465 20 0 GCADHM CCn1nccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821567955 607020557 /nfs/dbraw/zinc/02/05/57/607020557.db2.gz BBSNGOPGDCFOHO-JTQLQIEISA-N -1 3 390.429 0.389 20 0 GCADHM CCn1nccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821567955 607020560 /nfs/dbraw/zinc/02/05/60/607020560.db2.gz BBSNGOPGDCFOHO-JTQLQIEISA-N -1 3 390.429 0.389 20 0 GCADHM COCC(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821680527 607020828 /nfs/dbraw/zinc/02/08/28/607020828.db2.gz LTOPXGIJJWVGMJ-JTQLQIEISA-N -1 3 382.446 0.075 20 0 GCADHM COCC(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821680527 607020829 /nfs/dbraw/zinc/02/08/29/607020829.db2.gz LTOPXGIJJWVGMJ-JTQLQIEISA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821679858 607021523 /nfs/dbraw/zinc/02/15/23/607021523.db2.gz OZTAUJXEXUYKLQ-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821679858 607021525 /nfs/dbraw/zinc/02/15/25/607021525.db2.gz OZTAUJXEXUYKLQ-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822419685 607021777 /nfs/dbraw/zinc/02/17/77/607021777.db2.gz SCSFQULXLDECON-SNVBAGLBSA-N -1 3 390.429 0.512 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822419685 607021779 /nfs/dbraw/zinc/02/17/79/607021779.db2.gz SCSFQULXLDECON-SNVBAGLBSA-N -1 3 390.429 0.512 20 0 GCADHM Cc1cnccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822399256 607022957 /nfs/dbraw/zinc/02/29/57/607022957.db2.gz DLNCLONPOTUDCY-LLVKDONJSA-N -1 3 387.425 0.298 20 0 GCADHM Cc1cnccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822399256 607022959 /nfs/dbraw/zinc/02/29/59/607022959.db2.gz DLNCLONPOTUDCY-LLVKDONJSA-N -1 3 387.425 0.298 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCS(=O)(=O)CC1 ZINC000819992448 607023733 /nfs/dbraw/zinc/02/37/33/607023733.db2.gz XMODADULPKLHEG-UHFFFAOYSA-N -1 3 379.442 0.671 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCS(=O)(=O)CC1 ZINC000819992448 607023734 /nfs/dbraw/zinc/02/37/34/607023734.db2.gz XMODADULPKLHEG-UHFFFAOYSA-N -1 3 379.442 0.671 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC2(CC2)CC1 ZINC000820437616 607024300 /nfs/dbraw/zinc/02/43/00/607024300.db2.gz ARVLMPUCDFLFNY-LBPRGKRZSA-N -1 3 390.469 0.936 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC2(CC2)CC1 ZINC000820437616 607024302 /nfs/dbraw/zinc/02/43/02/607024302.db2.gz ARVLMPUCDFLFNY-LBPRGKRZSA-N -1 3 390.469 0.936 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000819996942 607025475 /nfs/dbraw/zinc/02/54/75/607025475.db2.gz OEZUUJDYIJCRCJ-LBPRGKRZSA-N -1 3 379.442 0.718 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000819996942 607025476 /nfs/dbraw/zinc/02/54/76/607025476.db2.gz OEZUUJDYIJCRCJ-LBPRGKRZSA-N -1 3 379.442 0.718 20 0 GCADHM CNS(=O)(=O)c1cccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1C ZINC000821637924 607027673 /nfs/dbraw/zinc/02/76/73/607027673.db2.gz ZPIKISCUDBIZLQ-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM CNS(=O)(=O)c1cccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1C ZINC000821637924 607027675 /nfs/dbraw/zinc/02/76/75/607027675.db2.gz ZPIKISCUDBIZLQ-UHFFFAOYSA-N -1 3 375.414 0.674 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@]1(C)CCOC1 ZINC000820438486 607028264 /nfs/dbraw/zinc/02/82/64/607028264.db2.gz QMLKVZQKYOSJMR-MEDUHNTESA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@]1(C)CCOC1 ZINC000820438486 607028267 /nfs/dbraw/zinc/02/82/67/607028267.db2.gz QMLKVZQKYOSJMR-MEDUHNTESA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC=CCC1 ZINC000820443961 607037797 /nfs/dbraw/zinc/03/77/97/607037797.db2.gz CEPSQBNPGRVNSC-AAEUAGOBSA-N -1 3 376.442 0.758 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC=CCC1 ZINC000820443961 607037799 /nfs/dbraw/zinc/03/77/99/607037799.db2.gz CEPSQBNPGRVNSC-AAEUAGOBSA-N -1 3 376.442 0.758 20 0 GCADHM CSC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821956177 607038633 /nfs/dbraw/zinc/03/86/33/607038633.db2.gz IZWBMVLQHUFBKZ-VHSXEESVSA-N -1 3 384.487 0.401 20 0 GCADHM CSC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821956177 607038635 /nfs/dbraw/zinc/03/86/35/607038635.db2.gz IZWBMVLQHUFBKZ-VHSXEESVSA-N -1 3 384.487 0.401 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC=CCC1 ZINC000820443962 607039827 /nfs/dbraw/zinc/03/98/27/607039827.db2.gz CEPSQBNPGRVNSC-DGCLKSJQSA-N -1 3 376.442 0.758 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC=CCC1 ZINC000820443962 607039828 /nfs/dbraw/zinc/03/98/28/607039828.db2.gz CEPSQBNPGRVNSC-DGCLKSJQSA-N -1 3 376.442 0.758 20 0 GCADHM CSCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821962029 607040311 /nfs/dbraw/zinc/04/03/11/607040311.db2.gz NUBXDYGYVKJJCO-QWRGUYRKSA-N -1 3 398.514 0.791 20 0 GCADHM CSCC[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821962029 607040313 /nfs/dbraw/zinc/04/03/13/607040313.db2.gz NUBXDYGYVKJJCO-QWRGUYRKSA-N -1 3 398.514 0.791 20 0 GCADHM CC[C@@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820909585 607041810 /nfs/dbraw/zinc/04/18/10/607041810.db2.gz XVMGEAWBCAUYNT-JQWIXIFHSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820909585 607041812 /nfs/dbraw/zinc/04/18/12/607041812.db2.gz XVMGEAWBCAUYNT-JQWIXIFHSA-N -1 3 382.446 0.075 20 0 GCADHM C[C@H](NC(=O)COc1ccc(Br)cc1-c1nnn[n-]1)C(=O)N(C)C ZINC000820327389 607042183 /nfs/dbraw/zinc/04/21/83/607042183.db2.gz GVNKPJAPLCEUDB-QMMMGPOBSA-N -1 3 397.233 0.601 20 0 GCADHM C[C@H](NC(=O)COc1ccc(Br)cc1-c1nn[n-]n1)C(=O)N(C)C ZINC000820327389 607042184 /nfs/dbraw/zinc/04/21/84/607042184.db2.gz GVNKPJAPLCEUDB-QMMMGPOBSA-N -1 3 397.233 0.601 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ccon1 ZINC000820443926 607042469 /nfs/dbraw/zinc/04/24/69/607042469.db2.gz BHWAFUOAWRIDFO-SNVBAGLBSA-N -1 3 391.413 0.180 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ccon1 ZINC000820443926 607042470 /nfs/dbraw/zinc/04/24/70/607042470.db2.gz BHWAFUOAWRIDFO-SNVBAGLBSA-N -1 3 391.413 0.180 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000820438472 607042684 /nfs/dbraw/zinc/04/26/84/607042684.db2.gz QGBDZMOYXUJOES-GRYCIOLGSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1[C@H](C)COC[C@@H]1C ZINC000820438472 607042686 /nfs/dbraw/zinc/04/26/86/607042686.db2.gz QGBDZMOYXUJOES-GRYCIOLGSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C[C@H](C)O ZINC000820473861 607042985 /nfs/dbraw/zinc/04/29/85/607042985.db2.gz MZGCDNQFDSOKBN-GRYCIOLGSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C[C@H](C)O ZINC000820473861 607042987 /nfs/dbraw/zinc/04/29/87/607042987.db2.gz MZGCDNQFDSOKBN-GRYCIOLGSA-N -1 3 396.473 0.057 20 0 GCADHM Cc1nn(C)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822496396 607043710 /nfs/dbraw/zinc/04/37/10/607043710.db2.gz LJKXYXJOZSSCQD-SNVBAGLBSA-N -1 3 390.429 0.214 20 0 GCADHM Cc1nn(C)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822496396 607043712 /nfs/dbraw/zinc/04/37/12/607043712.db2.gz LJKXYXJOZSSCQD-SNVBAGLBSA-N -1 3 390.429 0.214 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCOC1 ZINC000820438226 607044159 /nfs/dbraw/zinc/04/41/59/607044159.db2.gz LAYNEBHIOKDABP-MDZLAQPJSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCOC1 ZINC000820438226 607044161 /nfs/dbraw/zinc/04/41/61/607044161.db2.gz LAYNEBHIOKDABP-MDZLAQPJSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCOC1CCC1 ZINC000820449805 607049252 /nfs/dbraw/zinc/04/92/52/607049252.db2.gz CSLXHTZYPNDDBI-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCOC1CCC1 ZINC000820449805 607049254 /nfs/dbraw/zinc/04/92/54/607049254.db2.gz CSLXHTZYPNDDBI-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM COC(C)(C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821672569 607049955 /nfs/dbraw/zinc/04/99/55/607049955.db2.gz PBOYTCNGKMIZSL-JTQLQIEISA-N -1 3 382.446 0.075 20 0 GCADHM COC(C)(C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821672569 607049957 /nfs/dbraw/zinc/04/99/57/607049957.db2.gz PBOYTCNGKMIZSL-JTQLQIEISA-N -1 3 382.446 0.075 20 0 GCADHM Cc1nsc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822535163 607050423 /nfs/dbraw/zinc/05/04/23/607050423.db2.gz IIRDPCLADRORKO-SSDOTTSWSA-N -1 3 394.442 0.332 20 0 GCADHM Cc1nsc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822535163 607050424 /nfs/dbraw/zinc/05/04/24/607050424.db2.gz IIRDPCLADRORKO-SSDOTTSWSA-N -1 3 394.442 0.332 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438321 607050586 /nfs/dbraw/zinc/05/05/86/607050586.db2.gz MVYZNBRXIOEMCR-ZBEGNZNMSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438321 607050588 /nfs/dbraw/zinc/05/05/88/607050588.db2.gz MVYZNBRXIOEMCR-ZBEGNZNMSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000820528820 607051158 /nfs/dbraw/zinc/05/11/58/607051158.db2.gz OXYCPCPGDWBLLB-LLVKDONJSA-N -1 3 379.442 0.575 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC(F)(F)F ZINC000820444087 607051247 /nfs/dbraw/zinc/05/12/47/607051247.db2.gz FUJNXBIUEYYVOU-MRVPVSSYSA-N -1 3 392.363 0.602 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC(F)(F)F ZINC000820444087 607051249 /nfs/dbraw/zinc/05/12/49/607051249.db2.gz FUJNXBIUEYYVOU-MRVPVSSYSA-N -1 3 392.363 0.602 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCC(F)(F)F ZINC000820451005 607051381 /nfs/dbraw/zinc/05/13/81/607051381.db2.gz QTAUIGOZLBFHQS-QMMMGPOBSA-N -1 3 392.363 0.602 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCC(F)(F)F ZINC000820451005 607051382 /nfs/dbraw/zinc/05/13/82/607051382.db2.gz QTAUIGOZLBFHQS-QMMMGPOBSA-N -1 3 392.363 0.602 20 0 GCADHM CO[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821675185 607053172 /nfs/dbraw/zinc/05/31/72/607053172.db2.gz FRGPHRKNHMZCDB-BXUZGUMPSA-N -1 3 396.473 0.321 20 0 GCADHM CO[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821675185 607053173 /nfs/dbraw/zinc/05/31/73/607053173.db2.gz FRGPHRKNHMZCDB-BXUZGUMPSA-N -1 3 396.473 0.321 20 0 GCADHM Cc1ncccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822472761 607053296 /nfs/dbraw/zinc/05/32/96/607053296.db2.gz ZCOZVIKJQDPOLW-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ncccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822472761 607053298 /nfs/dbraw/zinc/05/32/98/607053298.db2.gz ZCOZVIKJQDPOLW-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cn1nc2c(cc1=O)CN(C(=O)C(C)(C)Oc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000822705163 607053351 /nfs/dbraw/zinc/05/33/51/607053351.db2.gz XTMIWGCRUNYNTG-UHFFFAOYSA-N -1 3 395.423 0.703 20 0 GCADHM Cn1nc2c(cc1=O)CN(C(=O)C(C)(C)Oc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822705163 607053353 /nfs/dbraw/zinc/05/33/53/607053353.db2.gz XTMIWGCRUNYNTG-UHFFFAOYSA-N -1 3 395.423 0.703 20 0 GCADHM CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821675187 607053561 /nfs/dbraw/zinc/05/35/61/607053561.db2.gz FRGPHRKNHMZCDB-RISCZKNCSA-N -1 3 396.473 0.321 20 0 GCADHM CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821675187 607053564 /nfs/dbraw/zinc/05/35/64/607053564.db2.gz FRGPHRKNHMZCDB-RISCZKNCSA-N -1 3 396.473 0.321 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000820444355 607053943 /nfs/dbraw/zinc/05/39/43/607053943.db2.gz JCRIMQBSPMYXKY-SRVKXCTJSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000820444355 607053944 /nfs/dbraw/zinc/05/39/44/607053944.db2.gz JCRIMQBSPMYXKY-SRVKXCTJSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000820444353 607054007 /nfs/dbraw/zinc/05/40/07/607054007.db2.gz JCRIMQBSPMYXKY-GRYCIOLGSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000820444353 607054008 /nfs/dbraw/zinc/05/40/08/607054008.db2.gz JCRIMQBSPMYXKY-GRYCIOLGSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccn(C)c1 ZINC000820445825 607054298 /nfs/dbraw/zinc/05/42/98/607054298.db2.gz RERRRWIAQUUNHZ-NSHDSACASA-N -1 3 389.441 0.188 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccn(C)c1 ZINC000820445825 607054300 /nfs/dbraw/zinc/05/43/00/607054300.db2.gz RERRRWIAQUUNHZ-NSHDSACASA-N -1 3 389.441 0.188 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@@H]1CCOC1 ZINC000820445162 607054518 /nfs/dbraw/zinc/05/45/18/607054518.db2.gz ODOMQSOLIDRFLN-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@@H]1CCOC1 ZINC000820445162 607054519 /nfs/dbraw/zinc/05/45/19/607054519.db2.gz ODOMQSOLIDRFLN-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM COC[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821683805 607054943 /nfs/dbraw/zinc/05/49/43/607054943.db2.gz KMOIECSXAJZLRR-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM COC[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821683805 607054944 /nfs/dbraw/zinc/05/49/44/607054944.db2.gz KMOIECSXAJZLRR-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM COC[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821683806 607055167 /nfs/dbraw/zinc/05/51/67/607055167.db2.gz KMOIECSXAJZLRR-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM COC[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821683806 607055169 /nfs/dbraw/zinc/05/51/69/607055169.db2.gz KMOIECSXAJZLRR-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM COC[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821683664 607055193 /nfs/dbraw/zinc/05/51/93/607055193.db2.gz HGNYPXWJKGCLAZ-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM COC[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821683664 607055195 /nfs/dbraw/zinc/05/51/95/607055195.db2.gz HGNYPXWJKGCLAZ-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM COC(=O)C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821658694 607055237 /nfs/dbraw/zinc/05/52/37/607055237.db2.gz FOIRHTLQURHOQM-CQSZACIVSA-N -1 3 389.412 0.815 20 0 GCADHM COC(=O)C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821658694 607055240 /nfs/dbraw/zinc/05/52/40/607055240.db2.gz FOIRHTLQURHOQM-CQSZACIVSA-N -1 3 389.412 0.815 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCCS1(=O)=O ZINC000823215405 607056410 /nfs/dbraw/zinc/05/64/10/607056410.db2.gz MIBYFMCYFGVCHV-ZDUSSCGKSA-N -1 3 380.430 0.122 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(Cc3cc(F)ccc3-c3nnn[n-]3)CC2)C1 ZINC000823613399 607056899 /nfs/dbraw/zinc/05/68/99/607056899.db2.gz IIUXLEPSSHOKKS-AWEZNQCLSA-N -1 3 380.449 0.311 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)CC2)C1 ZINC000823613399 607056901 /nfs/dbraw/zinc/05/69/01/607056901.db2.gz IIUXLEPSSHOKKS-AWEZNQCLSA-N -1 3 380.449 0.311 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC1CCC1 ZINC000820446253 607060589 /nfs/dbraw/zinc/06/05/89/607060589.db2.gz TVOZQTLTDVBNGW-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC1CCC1 ZINC000820446253 607060591 /nfs/dbraw/zinc/06/05/91/607060591.db2.gz TVOZQTLTDVBNGW-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@]1(C)CCCO1 ZINC000820438163 607060602 /nfs/dbraw/zinc/06/06/02/607060602.db2.gz JOOPUBHFQSALSO-ZBEGNZNMSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@]1(C)CCCO1 ZINC000820438163 607060603 /nfs/dbraw/zinc/06/06/03/607060603.db2.gz JOOPUBHFQSALSO-ZBEGNZNMSA-N -1 3 394.457 0.219 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820056530 607063436 /nfs/dbraw/zinc/06/34/36/607063436.db2.gz QHZARXKBZDFERG-WCQYABFASA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820056530 607063438 /nfs/dbraw/zinc/06/34/38/607063438.db2.gz QHZARXKBZDFERG-WCQYABFASA-N -1 3 396.473 0.057 20 0 GCADHM Cc1ncsc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822482587 607064128 /nfs/dbraw/zinc/06/41/28/607064128.db2.gz XFTSCQHVKVQOSG-QMMMGPOBSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1ncsc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822482587 607064130 /nfs/dbraw/zinc/06/41/30/607064130.db2.gz XFTSCQHVKVQOSG-QMMMGPOBSA-N -1 3 393.454 0.937 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000821612553 607065685 /nfs/dbraw/zinc/06/56/85/607065685.db2.gz ZIAKRRFWBABSNS-UHFFFAOYSA-N -1 3 378.458 0.833 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000821612553 607065687 /nfs/dbraw/zinc/06/56/87/607065687.db2.gz ZIAKRRFWBABSNS-UHFFFAOYSA-N -1 3 378.458 0.833 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1=O ZINC000820607605 607073333 /nfs/dbraw/zinc/07/33/33/607073333.db2.gz WVWABOCFWMXBIL-QGZVFWFLSA-N -1 3 388.359 0.770 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1=O ZINC000820607605 607073336 /nfs/dbraw/zinc/07/33/36/607073336.db2.gz WVWABOCFWMXBIL-QGZVFWFLSA-N -1 3 388.359 0.770 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)n1cccn1 ZINC000819856745 607080179 /nfs/dbraw/zinc/08/01/79/607080179.db2.gz LGKCODRZRWFNKX-NSHDSACASA-N -1 3 387.375 0.965 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)n1cccn1 ZINC000819856745 607080180 /nfs/dbraw/zinc/08/01/80/607080180.db2.gz LGKCODRZRWFNKX-NSHDSACASA-N -1 3 387.375 0.965 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccoc1 ZINC000820444449 607080326 /nfs/dbraw/zinc/08/03/26/607080326.db2.gz JEBIAOXMMKVOJH-JTQLQIEISA-N -1 3 377.382 0.870 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccoc1 ZINC000820444449 607080329 /nfs/dbraw/zinc/08/03/29/607080329.db2.gz JEBIAOXMMKVOJH-JTQLQIEISA-N -1 3 377.382 0.870 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCCOC1 ZINC000820443911 607080629 /nfs/dbraw/zinc/08/06/29/607080629.db2.gz AUIYSWTYEPTDNH-RYUDHWBXSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCCOC1 ZINC000820443911 607080630 /nfs/dbraw/zinc/08/06/30/607080630.db2.gz AUIYSWTYEPTDNH-RYUDHWBXSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cnn(C)c1 ZINC000820451223 607080949 /nfs/dbraw/zinc/08/09/49/607080949.db2.gz SRDBNMPYVBTXKO-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cnn(C)c1 ZINC000820451223 607080950 /nfs/dbraw/zinc/08/09/50/607080950.db2.gz SRDBNMPYVBTXKO-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1nccs1 ZINC000820450235 607081053 /nfs/dbraw/zinc/08/10/53/607081053.db2.gz ICQIIHKKTZTFDZ-VIFPVBQESA-N -1 3 394.438 0.733 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1nccs1 ZINC000820450235 607081055 /nfs/dbraw/zinc/08/10/55/607081055.db2.gz ICQIIHKKTZTFDZ-VIFPVBQESA-N -1 3 394.438 0.733 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCCCO1 ZINC000820445977 607082461 /nfs/dbraw/zinc/08/24/61/607082461.db2.gz SAMVMDLLMBIWPJ-WCQYABFASA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCCCO1 ZINC000820445977 607082463 /nfs/dbraw/zinc/08/24/63/607082463.db2.gz SAMVMDLLMBIWPJ-WCQYABFASA-N -1 3 395.441 0.646 20 0 GCADHM O=C(OCc1cc(F)ccc1-c1nnn[n-]1)C1CCC2(CC1)NC(=O)NC2=O ZINC000823541297 607083391 /nfs/dbraw/zinc/08/33/91/607083391.db2.gz OIICSMGEEFAIEX-UHFFFAOYSA-N -1 3 388.359 0.817 20 0 GCADHM O=C(OCc1cc(F)ccc1-c1nn[n-]n1)C1CCC2(CC1)NC(=O)NC2=O ZINC000823541297 607083393 /nfs/dbraw/zinc/08/33/93/607083393.db2.gz OIICSMGEEFAIEX-UHFFFAOYSA-N -1 3 388.359 0.817 20 0 GCADHM COc1ccc(-c2cc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)n[nH]2)cc1 ZINC000821728417 607084947 /nfs/dbraw/zinc/08/49/47/607084947.db2.gz WHMAGJPVHZWGPC-UHFFFAOYSA-N -1 3 395.383 0.901 20 0 GCADHM COc1ccc(-c2cc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)n[nH]2)cc1 ZINC000821728417 607084949 /nfs/dbraw/zinc/08/49/49/607084949.db2.gz WHMAGJPVHZWGPC-UHFFFAOYSA-N -1 3 395.383 0.901 20 0 GCADHM O=C(NC[C@@H]1CCCS1(=O)=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823175488 607090308 /nfs/dbraw/zinc/09/03/08/607090308.db2.gz JSSCMENYWUJWQY-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM O=C(NC[C@@H]1CCCS1(=O)=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823175488 607090311 /nfs/dbraw/zinc/09/03/11/607090311.db2.gz JSSCMENYWUJWQY-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM COC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821684366 607091268 /nfs/dbraw/zinc/09/12/68/607091268.db2.gz ZQHHUAMQMVIULL-FZMZJTMJSA-N -1 3 397.457 0.748 20 0 GCADHM COC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821684366 607091269 /nfs/dbraw/zinc/09/12/69/607091269.db2.gz ZQHHUAMQMVIULL-FZMZJTMJSA-N -1 3 397.457 0.748 20 0 GCADHM COC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821684368 607091557 /nfs/dbraw/zinc/09/15/57/607091557.db2.gz ZQHHUAMQMVIULL-SMDDNHRTSA-N -1 3 397.457 0.748 20 0 GCADHM COC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821684368 607091559 /nfs/dbraw/zinc/09/15/59/607091559.db2.gz ZQHHUAMQMVIULL-SMDDNHRTSA-N -1 3 397.457 0.748 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cncn1C ZINC000820451045 607091657 /nfs/dbraw/zinc/09/16/57/607091657.db2.gz ROGIXZIFGCSZNF-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cncn1C ZINC000820451045 607091659 /nfs/dbraw/zinc/09/16/59/607091659.db2.gz ROGIXZIFGCSZNF-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM CCC1(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)COC1 ZINC000820966724 607091934 /nfs/dbraw/zinc/09/19/34/607091934.db2.gz HVSXVAUACQEKNR-NSHDSACASA-N -1 3 395.441 0.503 20 0 GCADHM CCC1(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)COC1 ZINC000820966724 607091935 /nfs/dbraw/zinc/09/19/35/607091935.db2.gz HVSXVAUACQEKNR-NSHDSACASA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1nnc2n1CCCC2 ZINC000820316033 607093217 /nfs/dbraw/zinc/09/32/17/607093217.db2.gz RHRNPJHRQXPDTM-VIFPVBQESA-N -1 3 399.390 0.750 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1nnc2n1CCCC2 ZINC000820316033 607093218 /nfs/dbraw/zinc/09/32/18/607093218.db2.gz RHRNPJHRQXPDTM-VIFPVBQESA-N -1 3 399.390 0.750 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000821755321 607093479 /nfs/dbraw/zinc/09/34/79/607093479.db2.gz DRERGWZYASWCHR-NSHDSACASA-N -1 3 382.384 0.211 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821631897 607093512 /nfs/dbraw/zinc/09/35/12/607093512.db2.gz WYJZWGLWEGBISH-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821631897 607093514 /nfs/dbraw/zinc/09/35/14/607093514.db2.gz WYJZWGLWEGBISH-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821170531 607093662 /nfs/dbraw/zinc/09/36/62/607093662.db2.gz RYRRCYVFBNTNMW-AWEZNQCLSA-N -1 3 385.428 0.665 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821170531 607093663 /nfs/dbraw/zinc/09/36/63/607093663.db2.gz RYRRCYVFBNTNMW-AWEZNQCLSA-N -1 3 385.428 0.665 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000821757054 607093834 /nfs/dbraw/zinc/09/38/34/607093834.db2.gz ULBQHKZBXZOQIQ-CYBMUJFWSA-N -1 3 399.411 0.083 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000821757054 607093836 /nfs/dbraw/zinc/09/38/36/607093836.db2.gz ULBQHKZBXZOQIQ-CYBMUJFWSA-N -1 3 399.411 0.083 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000823308839 607096161 /nfs/dbraw/zinc/09/61/61/607096161.db2.gz KTRAJWJMUALONT-LBPRGKRZSA-N -1 3 398.345 0.967 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000823308839 607096163 /nfs/dbraw/zinc/09/61/63/607096163.db2.gz KTRAJWJMUALONT-LBPRGKRZSA-N -1 3 398.345 0.967 20 0 GCADHM O=C(NC[C@H]1CCCS1(=O)=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823175404 607096230 /nfs/dbraw/zinc/09/62/30/607096230.db2.gz HQWRVXIEFKLTSL-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(NC[C@H]1CCCS1(=O)=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823175404 607096232 /nfs/dbraw/zinc/09/62/32/607096232.db2.gz HQWRVXIEFKLTSL-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[C@@H](C)[S@](C)=O ZINC000821400384 607096941 /nfs/dbraw/zinc/09/69/41/607096941.db2.gz IWTWKUCSGBZTMJ-BLBHWQHRSA-N -1 3 394.457 0.477 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[C@@H](C)[S@](C)=O ZINC000821400384 607096942 /nfs/dbraw/zinc/09/69/42/607096942.db2.gz IWTWKUCSGBZTMJ-BLBHWQHRSA-N -1 3 394.457 0.477 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[C@H](C)[S@@](C)=O ZINC000821755194 607096975 /nfs/dbraw/zinc/09/69/75/607096975.db2.gz ARZYJJOYPSVUJR-UAXLGHPASA-N -1 3 380.430 0.087 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[C@H](C)[S@@](C)=O ZINC000821755194 607096976 /nfs/dbraw/zinc/09/69/76/607096976.db2.gz ARZYJJOYPSVUJR-UAXLGHPASA-N -1 3 380.430 0.087 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821640735 607101195 /nfs/dbraw/zinc/10/11/95/607101195.db2.gz NUAMFDVDYXQBLP-CQSZACIVSA-N -1 3 377.401 0.671 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821640735 607101197 /nfs/dbraw/zinc/10/11/97/607101197.db2.gz NUAMFDVDYXQBLP-CQSZACIVSA-N -1 3 377.401 0.671 20 0 GCADHM O=C1NCCC[C@@H]1N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000823548282 607102485 /nfs/dbraw/zinc/10/24/85/607102485.db2.gz VTXOEYSEVNYFSC-INIZCTEOSA-N -1 3 378.440 0.816 20 0 GCADHM O=C1NCCC[C@@H]1N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000823548282 607102487 /nfs/dbraw/zinc/10/24/87/607102487.db2.gz VTXOEYSEVNYFSC-INIZCTEOSA-N -1 3 378.440 0.816 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000819789556 607111345 /nfs/dbraw/zinc/11/13/45/607111345.db2.gz TZHRAJCWQPAWRD-HNAYVOBHSA-N -1 3 398.423 0.774 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000819789556 607111346 /nfs/dbraw/zinc/11/13/46/607111346.db2.gz TZHRAJCWQPAWRD-HNAYVOBHSA-N -1 3 398.423 0.774 20 0 GCADHM COC(=O)[C@@]1(C)CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000821652365 607111430 /nfs/dbraw/zinc/11/14/30/607111430.db2.gz QTZQFAODTSOLFV-ACJLOTCBSA-N -1 3 384.396 0.384 20 0 GCADHM O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822964851 607113684 /nfs/dbraw/zinc/11/36/84/607113684.db2.gz QZQBZHAVFKUGLK-UHFFFAOYSA-N -1 3 394.347 0.607 20 0 GCADHM O=C(CCN1C(=O)c2ccccc2C1=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822964851 607113686 /nfs/dbraw/zinc/11/36/86/607113686.db2.gz QZQBZHAVFKUGLK-UHFFFAOYSA-N -1 3 394.347 0.607 20 0 GCADHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C1CCOCC1 ZINC000819883806 607114356 /nfs/dbraw/zinc/11/43/56/607114356.db2.gz OAIRKINDORRCDF-LLVKDONJSA-N -1 3 380.426 0.892 20 0 GCADHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C1CCOCC1 ZINC000819883806 607114358 /nfs/dbraw/zinc/11/43/58/607114358.db2.gz OAIRKINDORRCDF-LLVKDONJSA-N -1 3 380.426 0.892 20 0 GCADHM C[C@@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)C1CCOCC1 ZINC000819883008 607114459 /nfs/dbraw/zinc/11/44/59/607114459.db2.gz DUOJVCYNDPUBCJ-NSHDSACASA-N -1 3 380.426 0.892 20 0 GCADHM C[C@@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000819883008 607114460 /nfs/dbraw/zinc/11/44/60/607114460.db2.gz DUOJVCYNDPUBCJ-NSHDSACASA-N -1 3 380.426 0.892 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[Si](C)(C)C ZINC000820447131 607115882 /nfs/dbraw/zinc/11/58/82/607115882.db2.gz YINGYCDAAZBDHE-SNVBAGLBSA-N -1 3 383.506 0.954 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[Si](C)(C)C ZINC000820447131 607115884 /nfs/dbraw/zinc/11/58/84/607115884.db2.gz YINGYCDAAZBDHE-SNVBAGLBSA-N -1 3 383.506 0.954 20 0 GCADHM CC(C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820004962 607116234 /nfs/dbraw/zinc/11/62/34/607116234.db2.gz GNSQCBGSKYFTJO-SNVBAGLBSA-N -1 3 381.414 0.302 20 0 GCADHM CC(C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820004962 607116235 /nfs/dbraw/zinc/11/62/35/607116235.db2.gz GNSQCBGSKYFTJO-SNVBAGLBSA-N -1 3 381.414 0.302 20 0 GCADHM CC(C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820004961 607116285 /nfs/dbraw/zinc/11/62/85/607116285.db2.gz GNSQCBGSKYFTJO-JTQLQIEISA-N -1 3 381.414 0.302 20 0 GCADHM CC(C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820004961 607116286 /nfs/dbraw/zinc/11/62/86/607116286.db2.gz GNSQCBGSKYFTJO-JTQLQIEISA-N -1 3 381.414 0.302 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821646291 607116754 /nfs/dbraw/zinc/11/67/54/607116754.db2.gz GBKXEGBBYKJOKI-HNNXBMFYSA-N -1 3 396.363 0.449 20 0 GCADHM COC(=O)[C@@H](OC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821646291 607116755 /nfs/dbraw/zinc/11/67/55/607116755.db2.gz GBKXEGBBYKJOKI-HNNXBMFYSA-N -1 3 396.363 0.449 20 0 GCADHM Cc1oc(NC(=O)COC(=O)CNC(=O)c2cccnc2)c(-c2nnn[n-]2)c1C ZINC000822549193 607116909 /nfs/dbraw/zinc/11/69/09/607116909.db2.gz VGFZEWSIYMJFLE-UHFFFAOYSA-N -1 3 399.367 0.383 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCN1C(=O)CNC1=O ZINC000820001048 607117019 /nfs/dbraw/zinc/11/70/19/607117019.db2.gz BTASRTLKIPVLSJ-UHFFFAOYSA-N -1 3 388.384 0.509 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCN1C(=O)CNC1=O ZINC000820001048 607117020 /nfs/dbraw/zinc/11/70/20/607117020.db2.gz BTASRTLKIPVLSJ-UHFFFAOYSA-N -1 3 388.384 0.509 20 0 GCADHM Cn1nc2c(c1C(=O)OCC(=O)NCc1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000822704927 607117311 /nfs/dbraw/zinc/11/73/11/607117311.db2.gz RKNRBTQVHNBCRH-UHFFFAOYSA-N -1 3 395.423 0.952 20 0 GCADHM Cn1nc2c(c1C(=O)OCC(=O)NCc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000822704927 607117313 /nfs/dbraw/zinc/11/73/13/607117313.db2.gz RKNRBTQVHNBCRH-UHFFFAOYSA-N -1 3 395.423 0.952 20 0 GCADHM Cn1nc2c(c1C(=O)O[C@@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000822705155 607117325 /nfs/dbraw/zinc/11/73/25/607117325.db2.gz XHPYHTNHSLYZLM-OAHLLOKOSA-N -1 3 381.396 0.862 20 0 GCADHM Cn1nc2c(c1C(=O)O[C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000822705155 607117327 /nfs/dbraw/zinc/11/73/27/607117327.db2.gz XHPYHTNHSLYZLM-OAHLLOKOSA-N -1 3 381.396 0.862 20 0 GCADHM O=C(CNC(=O)c1cccnc1)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000823005348 607117445 /nfs/dbraw/zinc/11/74/45/607117445.db2.gz NGVCNCZLXVMHFJ-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM O=C(CNC(=O)c1cccnc1)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000823005348 607117446 /nfs/dbraw/zinc/11/74/46/607117446.db2.gz NGVCNCZLXVMHFJ-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM CC(C)[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(N)=O ZINC000820026104 607117921 /nfs/dbraw/zinc/11/79/21/607117921.db2.gz HRWRBSPUALGZGD-LBPRGKRZSA-N -1 3 390.400 0.787 20 0 GCADHM CC(C)[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(N)=O ZINC000820026104 607117923 /nfs/dbraw/zinc/11/79/23/607117923.db2.gz HRWRBSPUALGZGD-LBPRGKRZSA-N -1 3 390.400 0.787 20 0 GCADHM CNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821634094 607118481 /nfs/dbraw/zinc/11/84/81/607118481.db2.gz RIHRDBKAUQXCOS-VIFPVBQESA-N -1 3 376.373 0.411 20 0 GCADHM CNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821634094 607118482 /nfs/dbraw/zinc/11/84/82/607118482.db2.gz RIHRDBKAUQXCOS-VIFPVBQESA-N -1 3 376.373 0.411 20 0 GCADHM COC(=O)[C@H](NCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000821642558 607120693 /nfs/dbraw/zinc/12/06/93/607120693.db2.gz KYHSZDUVHFUJPV-ZDUSSCGKSA-N -1 3 381.458 0.818 20 0 GCADHM COC(=O)[C@H](NCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000821642558 607120695 /nfs/dbraw/zinc/12/06/95/607120695.db2.gz KYHSZDUVHFUJPV-ZDUSSCGKSA-N -1 3 381.458 0.818 20 0 GCADHM OC[C@H]1CN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000823715589 607123511 /nfs/dbraw/zinc/12/35/11/607123511.db2.gz VMACQVVBZKMLPU-GOEBONIOSA-N -1 3 383.408 0.866 20 0 GCADHM COC(=O)[C@]1(C)CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000821651621 607124937 /nfs/dbraw/zinc/12/49/37/607124937.db2.gz CJVAIQAOJONDJG-MEDUHNTESA-N -1 3 376.442 0.919 20 0 GCADHM COC(=O)[C@]1(C)CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000821651621 607124938 /nfs/dbraw/zinc/12/49/38/607124938.db2.gz CJVAIQAOJONDJG-MEDUHNTESA-N -1 3 376.442 0.919 20 0 GCADHM COC(=O)[C@@]1(C)CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000821651622 607127547 /nfs/dbraw/zinc/12/75/47/607127547.db2.gz CJVAIQAOJONDJG-ZBEGNZNMSA-N -1 3 376.442 0.919 20 0 GCADHM COC(=O)[C@@]1(C)CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000821651622 607127548 /nfs/dbraw/zinc/12/75/48/607127548.db2.gz CJVAIQAOJONDJG-ZBEGNZNMSA-N -1 3 376.442 0.919 20 0 GCADHM CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(N)=O ZINC000819951307 607129765 /nfs/dbraw/zinc/12/97/65/607129765.db2.gz ROTDVYZOLUJIAZ-SNVBAGLBSA-N -1 3 379.808 0.475 20 0 GCADHM CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(N)=O ZINC000819951307 607129766 /nfs/dbraw/zinc/12/97/66/607129766.db2.gz ROTDVYZOLUJIAZ-SNVBAGLBSA-N -1 3 379.808 0.475 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)O1 ZINC000822860300 607132467 /nfs/dbraw/zinc/13/24/67/607132467.db2.gz QXLCPWTZWXMZCL-GJZGRUSLSA-N -1 3 388.428 0.565 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H](CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)O1 ZINC000822860300 607132469 /nfs/dbraw/zinc/13/24/69/607132469.db2.gz QXLCPWTZWXMZCL-GJZGRUSLSA-N -1 3 388.428 0.565 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1O ZINC000820443928 607132570 /nfs/dbraw/zinc/13/25/70/607132570.db2.gz BKFZDLNFBNONAW-SNVBAGLBSA-N -1 3 388.409 0.878 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1O ZINC000820443928 607132571 /nfs/dbraw/zinc/13/25/71/607132571.db2.gz BKFZDLNFBNONAW-SNVBAGLBSA-N -1 3 388.409 0.878 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCO)CCN1CCOCC1 ZINC000821761500 607136420 /nfs/dbraw/zinc/13/64/20/607136420.db2.gz AHELEDGVMJJTLW-UHFFFAOYSA-N -1 3 391.432 0.034 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCO)CCN1CCOCC1 ZINC000821761500 607136422 /nfs/dbraw/zinc/13/64/22/607136422.db2.gz AHELEDGVMJJTLW-UHFFFAOYSA-N -1 3 391.432 0.034 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000821149520 607137958 /nfs/dbraw/zinc/13/79/58/607137958.db2.gz ZKVBLSYSVVGGKZ-ZYHUDNBSSA-N -1 3 397.432 0.809 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000821149520 607137960 /nfs/dbraw/zinc/13/79/60/607137960.db2.gz ZKVBLSYSVVGGKZ-ZYHUDNBSSA-N -1 3 397.432 0.809 20 0 GCADHM CCOc1ccnc(N2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC000821436490 607140591 /nfs/dbraw/zinc/14/05/91/607140591.db2.gz ALTNOQKAACSSGW-UHFFFAOYSA-N -1 3 383.416 0.736 20 0 GCADHM CCOc1ccnc(N2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC000821436490 607140593 /nfs/dbraw/zinc/14/05/93/607140593.db2.gz ALTNOQKAACSSGW-UHFFFAOYSA-N -1 3 383.416 0.736 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821652800 607141017 /nfs/dbraw/zinc/14/10/17/607141017.db2.gz ZYSFHONCDZTKIW-MRXNPFEDSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821652800 607141018 /nfs/dbraw/zinc/14/10/18/607141018.db2.gz ZYSFHONCDZTKIW-MRXNPFEDSA-N -1 3 392.803 0.870 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c(C)n1 ZINC000821831637 607141204 /nfs/dbraw/zinc/14/12/04/607141204.db2.gz HBGQVUDNDWHWEO-UHFFFAOYSA-N -1 3 397.399 0.141 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c(C)n1 ZINC000821831637 607141205 /nfs/dbraw/zinc/14/12/05/607141205.db2.gz HBGQVUDNDWHWEO-UHFFFAOYSA-N -1 3 397.399 0.141 20 0 GCADHM Cc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1NC(=O)C(=O)NCCO ZINC000822211895 607141232 /nfs/dbraw/zinc/14/12/32/607141232.db2.gz SIEKQAOSSNWDCJ-UHFFFAOYSA-N -1 3 396.407 0.801 20 0 GCADHM Cc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1NC(=O)C(=O)NCCO ZINC000822211895 607141234 /nfs/dbraw/zinc/14/12/34/607141234.db2.gz SIEKQAOSSNWDCJ-UHFFFAOYSA-N -1 3 396.407 0.801 20 0 GCADHM COc1ccc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000821831667 607141462 /nfs/dbraw/zinc/14/14/62/607141462.db2.gz IFSNMERQQVFAHY-UHFFFAOYSA-N -1 3 397.395 0.712 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000821652170 607142216 /nfs/dbraw/zinc/14/22/16/607142216.db2.gz NCCKFFUQTVBTQY-QGZVFWFLSA-N -1 3 388.384 0.225 20 0 GCADHM COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000821652170 607142218 /nfs/dbraw/zinc/14/22/18/607142218.db2.gz NCCKFFUQTVBTQY-QGZVFWFLSA-N -1 3 388.384 0.225 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-n2cnnn2)cc1 ZINC000823594367 607143575 /nfs/dbraw/zinc/14/35/75/607143575.db2.gz HFBISSRPUWVWDE-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(-n2cnnn2)cc1 ZINC000823594367 607143576 /nfs/dbraw/zinc/14/35/76/607143576.db2.gz HFBISSRPUWVWDE-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc(-n2cnnn2)c1 ZINC000823594635 607143866 /nfs/dbraw/zinc/14/38/66/607143866.db2.gz NQKIXDDXVBFYJI-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)cc1F)c1cccc(-n2cnnn2)c1 ZINC000823594635 607143867 /nfs/dbraw/zinc/14/38/67/607143867.db2.gz NQKIXDDXVBFYJI-UHFFFAOYSA-N -1 3 388.344 0.749 20 0 GCADHM Cc1cc(CS(=O)(=O)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)nn1C ZINC000822201113 607144520 /nfs/dbraw/zinc/14/45/20/607144520.db2.gz RCTLBFDEBCBUGI-AWEZNQCLSA-N -1 3 392.441 0.263 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCOC2(CCOCC2)C1 ZINC000822222765 607145749 /nfs/dbraw/zinc/14/57/49/607145749.db2.gz SIESRBKAKGHOLZ-UHFFFAOYSA-N -1 3 379.442 0.745 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCOC2(CCOCC2)C1 ZINC000822222765 607145751 /nfs/dbraw/zinc/14/57/51/607145751.db2.gz SIESRBKAKGHOLZ-UHFFFAOYSA-N -1 3 379.442 0.745 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n[nH]1 ZINC000822207006 607146724 /nfs/dbraw/zinc/14/67/24/607146724.db2.gz HVBKREVMALVVRL-SECBINFHSA-N -1 3 376.402 0.204 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000822207006 607146725 /nfs/dbraw/zinc/14/67/25/607146725.db2.gz HVBKREVMALVVRL-SECBINFHSA-N -1 3 376.402 0.204 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821685185 607151121 /nfs/dbraw/zinc/15/11/21/607151121.db2.gz WMCDAUCTAJPRSO-UHFFFAOYSA-N -1 3 387.444 0.693 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821685185 607151122 /nfs/dbraw/zinc/15/11/22/607151122.db2.gz WMCDAUCTAJPRSO-UHFFFAOYSA-N -1 3 387.444 0.693 20 0 GCADHM O=S(=O)(CCN1CCS[C@@H]2COCC[C@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823561893 607151203 /nfs/dbraw/zinc/15/12/03/607151203.db2.gz LKQSTRSWRGETNI-HUUCEWRRSA-N -1 3 395.510 0.847 20 0 GCADHM O=S(=O)(CCN1CCS[C@@H]2COCC[C@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823561893 607151204 /nfs/dbraw/zinc/15/12/04/607151204.db2.gz LKQSTRSWRGETNI-HUUCEWRRSA-N -1 3 395.510 0.847 20 0 GCADHM COCCc1cc(NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)n(C)n1 ZINC000821694386 607166301 /nfs/dbraw/zinc/16/63/01/607166301.db2.gz KXODFHZTLACVKB-UHFFFAOYSA-N -1 3 387.400 0.815 20 0 GCADHM COCCc1cc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)n(C)n1 ZINC000821694386 607166302 /nfs/dbraw/zinc/16/63/02/607166302.db2.gz KXODFHZTLACVKB-UHFFFAOYSA-N -1 3 387.400 0.815 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCS[C@@H]2COCC[C@H]21 ZINC000823162664 607168349 /nfs/dbraw/zinc/16/83/49/607168349.db2.gz YXZKYDVXIIWYNT-ZIAGYGMSSA-N -1 3 388.453 0.329 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCS[C@@H]2COCC[C@H]21 ZINC000823162664 607168351 /nfs/dbraw/zinc/16/83/51/607168351.db2.gz YXZKYDVXIIWYNT-ZIAGYGMSSA-N -1 3 388.453 0.329 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCS[C@H]2COCC[C@H]21 ZINC000823162662 607168433 /nfs/dbraw/zinc/16/84/33/607168433.db2.gz YXZKYDVXIIWYNT-KGLIPLIRSA-N -1 3 388.453 0.329 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCS[C@H]2COCC[C@H]21 ZINC000823162662 607168434 /nfs/dbraw/zinc/16/84/34/607168434.db2.gz YXZKYDVXIIWYNT-KGLIPLIRSA-N -1 3 388.453 0.329 20 0 GCADHM CC(C)n1ncc2c1ncn(CC(=O)NCc1cccc(-c3nnn[n-]3)c1)c2=O ZINC000820214450 607170096 /nfs/dbraw/zinc/17/00/96/607170096.db2.gz CIGFUPYUTUAKEO-UHFFFAOYSA-N -1 3 393.411 0.670 20 0 GCADHM CC(C)n1ncc2c1ncn(CC(=O)NCc1cccc(-c3nn[n-]n3)c1)c2=O ZINC000820214450 607170097 /nfs/dbraw/zinc/17/00/97/607170097.db2.gz CIGFUPYUTUAKEO-UHFFFAOYSA-N -1 3 393.411 0.670 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)COc1ccc(-c2nnn[n-]2)cc1F ZINC000821343838 607170306 /nfs/dbraw/zinc/17/03/06/607170306.db2.gz VQBPNTJZJKNZRX-UHFFFAOYSA-N -1 3 389.347 0.934 20 0 GCADHM CCOC(=O)c1cnn(C)c1NC(=O)COc1ccc(-c2nn[n-]n2)cc1F ZINC000821343838 607170307 /nfs/dbraw/zinc/17/03/07/607170307.db2.gz VQBPNTJZJKNZRX-UHFFFAOYSA-N -1 3 389.347 0.934 20 0 GCADHM CCOC(=O)C1=C(COc2ccc(-c3nnn[n-]3)cc2F)NC(=O)N[C@@H]1C ZINC000821321410 607170480 /nfs/dbraw/zinc/17/04/80/607170480.db2.gz WPCQLGXINYHGOX-MRVPVSSYSA-N -1 3 376.348 0.903 20 0 GCADHM CCOC(=O)C1=C(COc2ccc(-c3nn[n-]n3)cc2F)NC(=O)N[C@@H]1C ZINC000821321410 607170481 /nfs/dbraw/zinc/17/04/81/607170481.db2.gz WPCQLGXINYHGOX-MRVPVSSYSA-N -1 3 376.348 0.903 20 0 GCADHM CC(C)OC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820142495 607179644 /nfs/dbraw/zinc/17/96/44/607179644.db2.gz NVMRBJJOUHKHPL-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM CC(C)OC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820142495 607179645 /nfs/dbraw/zinc/17/96/45/607179645.db2.gz NVMRBJJOUHKHPL-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM COCCc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000821694525 607179888 /nfs/dbraw/zinc/17/98/88/607179888.db2.gz QPIREICFWMZMDD-NSHDSACASA-N -1 3 398.427 0.605 20 0 GCADHM COCCc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000821694525 607179889 /nfs/dbraw/zinc/17/98/89/607179889.db2.gz QPIREICFWMZMDD-NSHDSACASA-N -1 3 398.427 0.605 20 0 GCADHM CCn1cnnc1CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821566731 607179954 /nfs/dbraw/zinc/17/99/54/607179954.db2.gz RGTQGAIYTBPJGN-UHFFFAOYSA-N -1 3 375.780 0.386 20 0 GCADHM CCn1cnnc1CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821566731 607179955 /nfs/dbraw/zinc/17/99/55/607179955.db2.gz RGTQGAIYTBPJGN-UHFFFAOYSA-N -1 3 375.780 0.386 20 0 GCADHM CC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000819804593 607180181 /nfs/dbraw/zinc/18/01/81/607180181.db2.gz XNFJZVDRFGOTHS-UHFFFAOYSA-N -1 3 391.819 0.586 20 0 GCADHM CC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000819804593 607180182 /nfs/dbraw/zinc/18/01/82/607180182.db2.gz XNFJZVDRFGOTHS-UHFFFAOYSA-N -1 3 391.819 0.586 20 0 GCADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000820758983 607180538 /nfs/dbraw/zinc/18/05/38/607180538.db2.gz GKVKNJSTASBBQE-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000820758983 607180539 /nfs/dbraw/zinc/18/05/39/607180539.db2.gz GKVKNJSTASBBQE-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820965918 607181650 /nfs/dbraw/zinc/18/16/50/607181650.db2.gz ALGGBRSXEGOSNI-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820965918 607181651 /nfs/dbraw/zinc/18/16/51/607181651.db2.gz ALGGBRSXEGOSNI-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821662621 607181711 /nfs/dbraw/zinc/18/17/11/607181711.db2.gz KUJSZMUUUCDCCF-UHFFFAOYSA-N -1 3 398.832 0.481 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821662621 607181712 /nfs/dbraw/zinc/18/17/12/607181712.db2.gz KUJSZMUUUCDCCF-UHFFFAOYSA-N -1 3 398.832 0.481 20 0 GCADHM CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821631793 607181936 /nfs/dbraw/zinc/18/19/36/607181936.db2.gz SMYLTXAUJOMJFA-SNVBAGLBSA-N -1 3 391.819 0.443 20 0 GCADHM CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821631793 607181937 /nfs/dbraw/zinc/18/19/37/607181937.db2.gz SMYLTXAUJOMJFA-SNVBAGLBSA-N -1 3 391.819 0.443 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC000822850559 607181995 /nfs/dbraw/zinc/18/19/95/607181995.db2.gz KNRUZHKQBWMODM-UHFFFAOYSA-N -1 3 391.819 0.621 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC000822850559 607181996 /nfs/dbraw/zinc/18/19/96/607181996.db2.gz KNRUZHKQBWMODM-UHFFFAOYSA-N -1 3 391.819 0.621 20 0 GCADHM Cc1noc(CCCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000822527903 607182627 /nfs/dbraw/zinc/18/26/27/607182627.db2.gz JRJGTDVTVVGXKH-UHFFFAOYSA-N -1 3 390.791 0.899 20 0 GCADHM Cc1noc(CCCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822527903 607182628 /nfs/dbraw/zinc/18/26/28/607182628.db2.gz JRJGTDVTVVGXKH-UHFFFAOYSA-N -1 3 390.791 0.899 20 0 GCADHM O=C(NCc1nnnn1C1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823270029 607182919 /nfs/dbraw/zinc/18/29/19/607182919.db2.gz VVLFJRAEYRCBRP-UHFFFAOYSA-N -1 3 388.779 0.096 20 0 GCADHM O=C(NCc1nnnn1C1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823270029 607182920 /nfs/dbraw/zinc/18/29/20/607182920.db2.gz VVLFJRAEYRCBRP-UHFFFAOYSA-N -1 3 388.779 0.096 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1=O ZINC000820126566 607183072 /nfs/dbraw/zinc/18/30/72/607183072.db2.gz AGMXSTCLSMPETE-JTQLQIEISA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1=O ZINC000820126566 607183073 /nfs/dbraw/zinc/18/30/73/607183073.db2.gz AGMXSTCLSMPETE-JTQLQIEISA-N -1 3 391.819 0.584 20 0 GCADHM CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC000821623776 607183299 /nfs/dbraw/zinc/18/32/99/607183299.db2.gz SHRPCJBEXJINHX-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000821623776 607183300 /nfs/dbraw/zinc/18/33/00/607183300.db2.gz SHRPCJBEXJINHX-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000822860137 607183568 /nfs/dbraw/zinc/18/35/68/607183568.db2.gz NSXVQIBQNDJSCA-UHFFFAOYSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000822860137 607183569 /nfs/dbraw/zinc/18/35/69/607183569.db2.gz NSXVQIBQNDJSCA-UHFFFAOYSA-N -1 3 391.819 0.619 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[S@](C)=O ZINC000820242228 607183934 /nfs/dbraw/zinc/18/39/34/607183934.db2.gz LYDIBPZJBVKVMZ-SRENCEJNSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[S@](C)=O ZINC000820242228 607183935 /nfs/dbraw/zinc/18/39/35/607183935.db2.gz LYDIBPZJBVKVMZ-SRENCEJNSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[S@@](C)=O ZINC000820242225 607183983 /nfs/dbraw/zinc/18/39/83/607183983.db2.gz LYDIBPZJBVKVMZ-IWHNICOQSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[S@@](C)=O ZINC000820242225 607183984 /nfs/dbraw/zinc/18/39/84/607183984.db2.gz LYDIBPZJBVKVMZ-IWHNICOQSA-N -1 3 384.849 0.732 20 0 GCADHM O=C(NC[C@@H]1CCCS1(=O)=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823175470 607184085 /nfs/dbraw/zinc/18/40/85/607184085.db2.gz JHFBGRBOUHPQCX-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM O=C(NC[C@@H]1CCCS1(=O)=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823175470 607184086 /nfs/dbraw/zinc/18/40/86/607184086.db2.gz JHFBGRBOUHPQCX-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823190990 607184088 /nfs/dbraw/zinc/18/40/88/607184088.db2.gz HFXNRQUKMVWBQM-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823190990 607184089 /nfs/dbraw/zinc/18/40/89/607184089.db2.gz HFXNRQUKMVWBQM-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000823313616 607184248 /nfs/dbraw/zinc/18/42/48/607184248.db2.gz GLQCRTHGWKBGRE-SECBINFHSA-N -1 3 391.775 0.122 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000823313616 607184249 /nfs/dbraw/zinc/18/42/49/607184249.db2.gz GLQCRTHGWKBGRE-SECBINFHSA-N -1 3 391.775 0.122 20 0 GCADHM O=C(NC[C@]1(CCO)CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823165947 607184315 /nfs/dbraw/zinc/18/43/15/607184315.db2.gz CKIGHNQQXRGGQR-INIZCTEOSA-N -1 3 394.819 0.364 20 0 GCADHM O=C(NC[C@]1(CCO)CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823165947 607184316 /nfs/dbraw/zinc/18/43/16/607184316.db2.gz CKIGHNQQXRGGQR-INIZCTEOSA-N -1 3 394.819 0.364 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCOC2(CCOCC2)C1 ZINC000822216152 607184729 /nfs/dbraw/zinc/18/47/29/607184729.db2.gz GTGCYGMUVRHKMW-UHFFFAOYSA-N -1 3 386.412 0.522 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCOC2(CCOCC2)C1 ZINC000822216152 607184730 /nfs/dbraw/zinc/18/47/30/607184730.db2.gz GTGCYGMUVRHKMW-UHFFFAOYSA-N -1 3 386.412 0.522 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000819802627 607187543 /nfs/dbraw/zinc/18/75/43/607187543.db2.gz GSPLISCCLIBRIW-AWEZNQCLSA-N -1 3 398.452 0.794 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000819802627 607187544 /nfs/dbraw/zinc/18/75/44/607187544.db2.gz GSPLISCCLIBRIW-AWEZNQCLSA-N -1 3 398.452 0.794 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1C[C@H](CO)OC[C@H]1C ZINC000821701133 607187678 /nfs/dbraw/zinc/18/76/78/607187678.db2.gz CKHQLYDQLMYWJA-TZMCWYRMSA-N -1 3 391.428 0.643 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1C[C@H](CO)OC[C@H]1C ZINC000821701133 607187679 /nfs/dbraw/zinc/18/76/79/607187679.db2.gz CKHQLYDQLMYWJA-TZMCWYRMSA-N -1 3 391.428 0.643 20 0 GCADHM O=C(CN1CCCCC1=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000822996440 607187699 /nfs/dbraw/zinc/18/76/99/607187699.db2.gz DQKWFHYIOBIYOJ-UHFFFAOYSA-N -1 3 380.412 0.886 20 0 GCADHM O=C(CN1CCCCC1=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000822996440 607187700 /nfs/dbraw/zinc/18/77/00/607187700.db2.gz DQKWFHYIOBIYOJ-UHFFFAOYSA-N -1 3 380.412 0.886 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NCCNC(=O)NC1CCCCC1 ZINC000823049684 607187824 /nfs/dbraw/zinc/18/78/24/607187824.db2.gz HYEZVZMLDFCRGG-UHFFFAOYSA-N -1 3 387.444 0.994 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NCCNC(=O)NC1CCCCC1 ZINC000823049684 607187825 /nfs/dbraw/zinc/18/78/25/607187825.db2.gz HYEZVZMLDFCRGG-UHFFFAOYSA-N -1 3 387.444 0.994 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)Nc1ccc(-c3nnn[n-]3)cc1Cl)c2=O ZINC000822709350 607189120 /nfs/dbraw/zinc/18/91/20/607189120.db2.gz JVZZVYFEWIKGHE-UHFFFAOYSA-N -1 3 385.775 0.602 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)Nc1ccc(-c3nn[n-]n3)cc1Cl)c2=O ZINC000822709350 607189121 /nfs/dbraw/zinc/18/91/21/607189121.db2.gz JVZZVYFEWIKGHE-UHFFFAOYSA-N -1 3 385.775 0.602 20 0 GCADHM C[C@]1(c2cccc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)c2)NC(=O)NC1=O ZINC000820636082 607192487 /nfs/dbraw/zinc/19/24/87/607192487.db2.gz QAOOFCVSMNIZHM-LJQANCHMSA-N -1 3 391.391 0.851 20 0 GCADHM COCC(=O)N1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000821680263 607199542 /nfs/dbraw/zinc/19/95/42/607199542.db2.gz DYINEAGKEGTSAO-UHFFFAOYSA-N -1 3 379.808 0.843 20 0 GCADHM COCC(=O)N1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821680263 607199543 /nfs/dbraw/zinc/19/95/43/607199543.db2.gz DYINEAGKEGTSAO-UHFFFAOYSA-N -1 3 379.808 0.843 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N(CCO)CCN1CCOCC1 ZINC000823313576 607204882 /nfs/dbraw/zinc/20/48/82/607204882.db2.gz FPALTWPUXJQVHN-UHFFFAOYSA-N -1 3 395.851 0.679 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N(CCO)CCN1CCOCC1 ZINC000823313576 607204883 /nfs/dbraw/zinc/20/48/83/607204883.db2.gz FPALTWPUXJQVHN-UHFFFAOYSA-N -1 3 395.851 0.679 20 0 GCADHM COc1ccccc1[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)N1CCCC1 ZINC000821883564 607205251 /nfs/dbraw/zinc/20/52/51/607205251.db2.gz XORAQJSHAFZSHR-CQSZACIVSA-N -1 3 397.443 0.420 20 0 GCADHM COc1ccccc1[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)N1CCCC1 ZINC000821883564 607205252 /nfs/dbraw/zinc/20/52/52/607205252.db2.gz XORAQJSHAFZSHR-CQSZACIVSA-N -1 3 397.443 0.420 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000823536068 607208537 /nfs/dbraw/zinc/20/85/37/607208537.db2.gz QHRRHFQGHSNSOF-HUUCEWRRSA-N -1 3 385.428 0.698 20 0 GCADHM NC(=O)c1cc(CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)on1 ZINC000822880588 607216257 /nfs/dbraw/zinc/21/62/57/607216257.db2.gz TYDTWAVNYIVEOU-CQSZACIVSA-N -1 3 382.384 0.239 20 0 GCADHM C[C@@H]1CN(Cc2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)C[C@@H](C)O1 ZINC000820758742 607218167 /nfs/dbraw/zinc/21/81/67/607218167.db2.gz CJKPMORZNSLPTJ-CHWSQXEVSA-N -1 3 397.443 0.706 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN1Cc1ccccc1 ZINC000820716937 607220066 /nfs/dbraw/zinc/22/00/66/607220066.db2.gz MUFRKJBLRZLKJW-AWEZNQCLSA-N -1 3 381.444 0.581 20 0 GCADHM CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000821571806 607220935 /nfs/dbraw/zinc/22/09/35/607220935.db2.gz GGBWTSVBSWHHEW-HNNXBMFYSA-N -1 3 381.444 0.581 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000822215241 607226604 /nfs/dbraw/zinc/22/66/04/607226604.db2.gz SBWYBRAMPYVUDE-MRXNPFEDSA-N -1 3 378.440 0.919 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 ZINC000822215241 607226605 /nfs/dbraw/zinc/22/66/05/607226605.db2.gz SBWYBRAMPYVUDE-MRXNPFEDSA-N -1 3 378.440 0.919 20 0 GCADHM C[C@@H]1CN(CCCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@@H](C)O1 ZINC000820761823 607229945 /nfs/dbraw/zinc/22/99/45/607229945.db2.gz ZPRAEOFEKHDKIV-CHWSQXEVSA-N -1 3 395.489 0.429 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000822895768 607235100 /nfs/dbraw/zinc/23/51/00/607235100.db2.gz XGSUDGHIRJMFLD-AWEZNQCLSA-N -1 3 378.458 0.469 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000822895768 607235101 /nfs/dbraw/zinc/23/51/01/607235101.db2.gz XGSUDGHIRJMFLD-AWEZNQCLSA-N -1 3 378.458 0.469 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822895353 607235298 /nfs/dbraw/zinc/23/52/98/607235298.db2.gz PGNVCVXFIFYQBX-XEHSLEBBSA-N -1 3 376.442 0.550 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822895353 607235299 /nfs/dbraw/zinc/23/52/99/607235299.db2.gz PGNVCVXFIFYQBX-XEHSLEBBSA-N -1 3 376.442 0.550 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819868589 607236000 /nfs/dbraw/zinc/23/60/00/607236000.db2.gz ZUZWQNGSODNIMH-WCBMZHEXSA-N -1 3 399.864 0.210 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000819868589 607236001 /nfs/dbraw/zinc/23/60/01/607236001.db2.gz ZUZWQNGSODNIMH-WCBMZHEXSA-N -1 3 399.864 0.210 20 0 GCADHM C[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819884344 607247625 /nfs/dbraw/zinc/24/76/25/607247625.db2.gz VHTLJFGKJKFEEH-VIFPVBQESA-N -1 3 384.389 0.894 20 0 GCADHM C[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819884344 607247626 /nfs/dbraw/zinc/24/76/26/607247626.db2.gz VHTLJFGKJKFEEH-VIFPVBQESA-N -1 3 384.389 0.894 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C(=O)N(CCO)C1CC1 ZINC000826459442 607773406 /nfs/dbraw/zinc/77/34/06/607773406.db2.gz JWKURMMVEDJYFN-UHFFFAOYSA-N -1 3 399.436 0.912 20 0 GCADHM O=C(Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C(=O)N(CCO)C1CC1 ZINC000826459442 607773407 /nfs/dbraw/zinc/77/34/07/607773407.db2.gz JWKURMMVEDJYFN-UHFFFAOYSA-N -1 3 399.436 0.912 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C2CC2)CC1 ZINC000824633291 607773448 /nfs/dbraw/zinc/77/34/48/607773448.db2.gz JYNOIPZYFUTVPR-NSHDSACASA-N -1 3 390.469 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C2CC2)CC1 ZINC000824633291 607773449 /nfs/dbraw/zinc/77/34/49/607773449.db2.gz JYNOIPZYFUTVPR-NSHDSACASA-N -1 3 390.469 0.840 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)CCO)cc1-c1nnn[n-]1 ZINC000825522209 607773760 /nfs/dbraw/zinc/77/37/60/607773760.db2.gz CQXNBDFSFBAIET-VIFPVBQESA-N -1 3 391.388 0.261 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)CCO)cc1-c1nn[n-]n1 ZINC000825522209 607773761 /nfs/dbraw/zinc/77/37/61/607773761.db2.gz CQXNBDFSFBAIET-VIFPVBQESA-N -1 3 391.388 0.261 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c1-c1nnn[n-]1 ZINC000826299305 607774525 /nfs/dbraw/zinc/77/45/25/607774525.db2.gz ZIZPRSFZGXYSSH-CYBMUJFWSA-N -1 3 395.427 0.644 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](Cn3ccnn3)C2)c1-c1nn[n-]n1 ZINC000826299305 607774526 /nfs/dbraw/zinc/77/45/26/607774526.db2.gz ZIZPRSFZGXYSSH-CYBMUJFWSA-N -1 3 395.427 0.644 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826455821 607774885 /nfs/dbraw/zinc/77/48/85/607774885.db2.gz FZPPFVYYKODOBC-LBPRGKRZSA-N -1 3 381.400 0.336 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826455821 607774886 /nfs/dbraw/zinc/77/48/86/607774886.db2.gz FZPPFVYYKODOBC-LBPRGKRZSA-N -1 3 381.400 0.336 20 0 GCADHM O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)C(=O)N[C@H]1CCOC1 ZINC000826455548 607776160 /nfs/dbraw/zinc/77/61/60/607776160.db2.gz TVKYHNRLJHUYPF-ZDUSSCGKSA-N -1 3 395.379 0.898 20 0 GCADHM O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)C(=O)N[C@H]1CCOC1 ZINC000826455548 607776161 /nfs/dbraw/zinc/77/61/61/607776161.db2.gz TVKYHNRLJHUYPF-ZDUSSCGKSA-N -1 3 395.379 0.898 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@@]1(O)CCc2ccccc21 ZINC000826437900 607781715 /nfs/dbraw/zinc/78/17/15/607781715.db2.gz GPGQQVXVMREJGJ-IBGZPJMESA-N -1 3 394.439 0.807 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@@]1(O)CCc2ccccc21 ZINC000826437900 607781716 /nfs/dbraw/zinc/78/17/16/607781716.db2.gz GPGQQVXVMREJGJ-IBGZPJMESA-N -1 3 394.439 0.807 20 0 GCADHM CN(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)c1ccccc1-c1nnn[n-]1 ZINC000825817503 607790800 /nfs/dbraw/zinc/79/08/00/607790800.db2.gz JXGORBDFMFGJAC-UHFFFAOYSA-N -1 3 379.384 0.845 20 0 GCADHM CN(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)c1ccccc1-c1nn[n-]n1 ZINC000825817503 607790801 /nfs/dbraw/zinc/79/08/01/607790801.db2.gz JXGORBDFMFGJAC-UHFFFAOYSA-N -1 3 379.384 0.845 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824500696 607793793 /nfs/dbraw/zinc/79/37/93/607793793.db2.gz ZFSONZLXZOPDCJ-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824500696 607793794 /nfs/dbraw/zinc/79/37/94/607793794.db2.gz ZFSONZLXZOPDCJ-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000826223364 607793974 /nfs/dbraw/zinc/79/39/74/607793974.db2.gz KKXLEXOHBCTHAX-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826223364 607793975 /nfs/dbraw/zinc/79/39/75/607793975.db2.gz KKXLEXOHBCTHAX-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000824745254 607794259 /nfs/dbraw/zinc/79/42/59/607794259.db2.gz PXOLAARJJBGSMV-RYUDHWBXSA-N -1 3 394.457 0.032 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000824745254 607794260 /nfs/dbraw/zinc/79/42/60/607794260.db2.gz PXOLAARJJBGSMV-RYUDHWBXSA-N -1 3 394.457 0.032 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826223580 607796103 /nfs/dbraw/zinc/79/61/03/607796103.db2.gz RYAFOYBLUHCKPB-CQSZACIVSA-N -1 3 378.458 0.340 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826223580 607796104 /nfs/dbraw/zinc/79/61/04/607796104.db2.gz RYAFOYBLUHCKPB-CQSZACIVSA-N -1 3 378.458 0.340 20 0 GCADHM Cc1cc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)ncn1 ZINC000826267393 607801492 /nfs/dbraw/zinc/80/14/92/607801492.db2.gz DABRYJKFGIRFDF-UHFFFAOYSA-N -1 3 388.409 0.623 20 0 GCADHM Cc1cc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC000826267393 607801493 /nfs/dbraw/zinc/80/14/93/607801493.db2.gz DABRYJKFGIRFDF-UHFFFAOYSA-N -1 3 388.409 0.623 20 0 GCADHM CCS(=O)(=O)NCCCOC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000825663883 607803701 /nfs/dbraw/zinc/80/37/01/607803701.db2.gz YQSSBJIZGSLNSD-UHFFFAOYSA-N -1 3 399.498 0.973 20 0 GCADHM CCS(=O)(=O)NCCCOC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000825663883 607803702 /nfs/dbraw/zinc/80/37/02/607803702.db2.gz YQSSBJIZGSLNSD-UHFFFAOYSA-N -1 3 399.498 0.973 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(CCS(C)(=O)=O)C(C)C ZINC000826174029 607803898 /nfs/dbraw/zinc/80/38/98/607803898.db2.gz GHENNPGRAFUVFN-UHFFFAOYSA-N -1 3 397.457 0.536 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CCS(C)(=O)=O)C(C)C ZINC000826174029 607803899 /nfs/dbraw/zinc/80/38/99/607803899.db2.gz GHENNPGRAFUVFN-UHFFFAOYSA-N -1 3 397.457 0.536 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826223391 607804043 /nfs/dbraw/zinc/80/40/43/607804043.db2.gz KYRUYBPUPFXRLQ-VIFPVBQESA-N -1 3 399.864 0.923 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826223391 607804044 /nfs/dbraw/zinc/80/40/44/607804044.db2.gz KYRUYBPUPFXRLQ-VIFPVBQESA-N -1 3 399.864 0.923 20 0 GCADHM CC(=O)OC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000824004734 607804449 /nfs/dbraw/zinc/80/44/49/607804449.db2.gz DHRQYRVUHDZAPQ-UHFFFAOYSA-N -1 3 376.348 0.498 20 0 GCADHM CC(=O)OC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000824004734 607804450 /nfs/dbraw/zinc/80/44/50/607804450.db2.gz DHRQYRVUHDZAPQ-UHFFFAOYSA-N -1 3 376.348 0.498 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1-c1nnn[n-]1 ZINC000826298846 607805637 /nfs/dbraw/zinc/80/56/37/607805637.db2.gz IWIMMJSHTWWEHI-CYBMUJFWSA-N -1 3 392.423 0.904 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1-c1nn[n-]n1 ZINC000826298846 607805638 /nfs/dbraw/zinc/80/56/38/607805638.db2.gz IWIMMJSHTWWEHI-CYBMUJFWSA-N -1 3 392.423 0.904 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC2(CC(F)C2)C1 ZINC000824640423 607806769 /nfs/dbraw/zinc/80/67/69/607806769.db2.gz IJWMAMACOYACAO-SNVBAGLBSA-N -1 3 394.432 0.494 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC2(CC(F)C2)C1 ZINC000824640423 607806770 /nfs/dbraw/zinc/80/67/70/607806770.db2.gz IJWMAMACOYACAO-SNVBAGLBSA-N -1 3 394.432 0.494 20 0 GCADHM CC(C)C1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824632551 607808430 /nfs/dbraw/zinc/80/84/30/607808430.db2.gz BCGMWQVRCIKUKX-NSHDSACASA-N -1 3 378.458 0.648 20 0 GCADHM CC(C)C1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824632551 607808431 /nfs/dbraw/zinc/80/84/31/607808431.db2.gz BCGMWQVRCIKUKX-NSHDSACASA-N -1 3 378.458 0.648 20 0 GCADHM CC(C)C1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824640116 607808545 /nfs/dbraw/zinc/80/85/45/607808545.db2.gz AOOFALLUVSKTGD-LLVKDONJSA-N -1 3 378.458 0.648 20 0 GCADHM CC(C)C1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824640116 607808546 /nfs/dbraw/zinc/80/85/46/607808546.db2.gz AOOFALLUVSKTGD-LLVKDONJSA-N -1 3 378.458 0.648 20 0 GCADHM CCOC(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825517758 607814133 /nfs/dbraw/zinc/81/41/33/607814133.db2.gz LNXKGGNVRRJDMZ-UHFFFAOYSA-N -1 3 394.457 0.415 20 0 GCADHM CCOC(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825517758 607814134 /nfs/dbraw/zinc/81/41/34/607814134.db2.gz LNXKGGNVRRJDMZ-UHFFFAOYSA-N -1 3 394.457 0.415 20 0 GCADHM O=S(=O)(CCN1CCC[C@H](n2cncn2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484768 607815624 /nfs/dbraw/zinc/81/56/24/607815624.db2.gz OJYMDZAPLANUPH-AWEZNQCLSA-N -1 3 388.457 0.569 20 0 GCADHM O=S(=O)(CCN1CCC[C@H](n2cncn2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484768 607815625 /nfs/dbraw/zinc/81/56/25/607815625.db2.gz OJYMDZAPLANUPH-AWEZNQCLSA-N -1 3 388.457 0.569 20 0 GCADHM C[C@H]1COCCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000825005929 607817808 /nfs/dbraw/zinc/81/78/08/607817808.db2.gz FDIXRWMUAWJPSE-CYBMUJFWSA-N -1 3 385.428 0.557 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cccc(OCC(N)=O)c1 ZINC000826279909 607818532 /nfs/dbraw/zinc/81/85/32/607818532.db2.gz GZCNUZXYNAXURU-UHFFFAOYSA-N -1 3 389.393 0.807 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cccc(OCC(N)=O)c1 ZINC000826279909 607818533 /nfs/dbraw/zinc/81/85/33/607818533.db2.gz GZCNUZXYNAXURU-UHFFFAOYSA-N -1 3 389.393 0.807 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000826487320 607818921 /nfs/dbraw/zinc/81/89/21/607818921.db2.gz KZVWNXWTGZJEIQ-DZGCQCFKSA-N -1 3 389.437 0.630 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000826487320 607818922 /nfs/dbraw/zinc/81/89/22/607818922.db2.gz KZVWNXWTGZJEIQ-DZGCQCFKSA-N -1 3 389.437 0.630 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826487701 607819003 /nfs/dbraw/zinc/81/90/03/607819003.db2.gz XHAHNFROVREZSO-GDBMZVCRSA-N -1 3 389.437 0.630 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826487701 607819004 /nfs/dbraw/zinc/81/90/04/607819004.db2.gz XHAHNFROVREZSO-GDBMZVCRSA-N -1 3 389.437 0.630 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000825517391 607824365 /nfs/dbraw/zinc/82/43/65/607824365.db2.gz BOKVWWBUNPXTOY-UHFFFAOYSA-N -1 3 398.379 0.609 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC[C@H](C)C1 ZINC000825006945 607825664 /nfs/dbraw/zinc/82/56/64/607825664.db2.gz UAWYHFWXJYLZDZ-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC[C@H](C)C1 ZINC000825006945 607825665 /nfs/dbraw/zinc/82/56/65/607825665.db2.gz UAWYHFWXJYLZDZ-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM COC(=O)[C@H](C)CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826098565 607828237 /nfs/dbraw/zinc/82/82/37/607828237.db2.gz ILDZJYMXZSDXRE-GFCCVEGCSA-N -1 3 393.469 0.914 20 0 GCADHM COC(=O)[C@H](C)CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826098565 607828238 /nfs/dbraw/zinc/82/82/38/607828238.db2.gz ILDZJYMXZSDXRE-GFCCVEGCSA-N -1 3 393.469 0.914 20 0 GCADHM O=S(=O)(CCN1CCCC[C@H]1C1OCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484457 607828240 /nfs/dbraw/zinc/82/82/40/607828240.db2.gz DMQJUKOHZZIALN-HNNXBMFYSA-N -1 3 393.469 0.868 20 0 GCADHM O=S(=O)(CCN1CCCC[C@H]1C1OCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484457 607828241 /nfs/dbraw/zinc/82/82/41/607828241.db2.gz DMQJUKOHZZIALN-HNNXBMFYSA-N -1 3 393.469 0.868 20 0 GCADHM O=S(=O)(CCN1CCC[C@@H](C2OCCO2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484442 607828325 /nfs/dbraw/zinc/82/83/25/607828325.db2.gz DAJGREXKXVWQFJ-CQSZACIVSA-N -1 3 393.469 0.725 20 0 GCADHM O=S(=O)(CCN1CCC[C@@H](C2OCCO2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484442 607828326 /nfs/dbraw/zinc/82/83/26/607828326.db2.gz DAJGREXKXVWQFJ-CQSZACIVSA-N -1 3 393.469 0.725 20 0 GCADHM CNC(=O)[C@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826059820 607828410 /nfs/dbraw/zinc/82/84/10/607828410.db2.gz ALFMVUOZIKHSBR-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM CNC(=O)[C@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826059820 607828411 /nfs/dbraw/zinc/82/84/11/607828411.db2.gz ALFMVUOZIKHSBR-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM Cn1cc([C@H]2CCN(CCS(=O)(=O)c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000826359398 607828939 /nfs/dbraw/zinc/82/89/39/607828939.db2.gz FUMXTOYBFWYFIP-AWEZNQCLSA-N -1 3 387.469 0.863 20 0 GCADHM Cn1cc([C@H]2CCN(CCS(=O)(=O)c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000826359398 607828940 /nfs/dbraw/zinc/82/89/40/607828940.db2.gz FUMXTOYBFWYFIP-AWEZNQCLSA-N -1 3 387.469 0.863 20 0 GCADHM CCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000825424908 607829637 /nfs/dbraw/zinc/82/96/37/607829637.db2.gz SEVWPFVSXDWKHY-ZDUSSCGKSA-N -1 3 399.498 0.149 20 0 GCADHM CCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000825424908 607829638 /nfs/dbraw/zinc/82/96/38/607829638.db2.gz SEVWPFVSXDWKHY-ZDUSSCGKSA-N -1 3 399.498 0.149 20 0 GCADHM CC1(C)CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000824807326 607829755 /nfs/dbraw/zinc/82/97/55/607829755.db2.gz IIAQWIABFYPTHE-UHFFFAOYSA-N -1 3 399.498 0.149 20 0 GCADHM CC1(C)CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000824807326 607829756 /nfs/dbraw/zinc/82/97/56/607829756.db2.gz IIAQWIABFYPTHE-UHFFFAOYSA-N -1 3 399.498 0.149 20 0 GCADHM CCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000825424907 607829880 /nfs/dbraw/zinc/82/98/80/607829880.db2.gz SEVWPFVSXDWKHY-CYBMUJFWSA-N -1 3 399.498 0.149 20 0 GCADHM CCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000825424907 607829881 /nfs/dbraw/zinc/82/98/81/607829881.db2.gz SEVWPFVSXDWKHY-CYBMUJFWSA-N -1 3 399.498 0.149 20 0 GCADHM O=S(=O)(CCN1CCN2CCCC[C@@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484748 607830024 /nfs/dbraw/zinc/83/00/24/607830024.db2.gz NYTOKUBGOUXNBZ-OAHLLOKOSA-N -1 3 376.486 0.811 20 0 GCADHM O=S(=O)(CCN1CCN2CCCC[C@@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484748 607830025 /nfs/dbraw/zinc/83/00/25/607830025.db2.gz NYTOKUBGOUXNBZ-OAHLLOKOSA-N -1 3 376.486 0.811 20 0 GCADHM CCn1nc(C)c(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825806854 607835728 /nfs/dbraw/zinc/83/57/28/607835728.db2.gz HPVMUTJBMMOVMB-UHFFFAOYSA-N -1 3 398.427 0.834 20 0 GCADHM CCn1nc(C)c(NC(=O)C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1C ZINC000825806730 607835819 /nfs/dbraw/zinc/83/58/19/607835819.db2.gz BOCDTWYFEXYUFV-UHFFFAOYSA-N -1 3 398.427 0.963 20 0 GCADHM CCn1nc(C)c(NC(=O)C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1C ZINC000825806730 607835820 /nfs/dbraw/zinc/83/58/20/607835820.db2.gz BOCDTWYFEXYUFV-UHFFFAOYSA-N -1 3 398.427 0.963 20 0 GCADHM COCC[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826154761 607837117 /nfs/dbraw/zinc/83/71/17/607837117.db2.gz XDWQEMQNRKOZTE-QWRGUYRKSA-N -1 3 383.430 0.502 20 0 GCADHM COCC[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826154761 607837118 /nfs/dbraw/zinc/83/71/18/607837118.db2.gz XDWQEMQNRKOZTE-QWRGUYRKSA-N -1 3 383.430 0.502 20 0 GCADHM O=S(=O)(Cc1ccccc1)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826486795 607839314 /nfs/dbraw/zinc/83/93/14/607839314.db2.gz QWBKQZXCAUZFIM-UHFFFAOYSA-N -1 3 385.453 0.914 20 0 GCADHM O=S(=O)(Cc1ccccc1)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826486795 607839315 /nfs/dbraw/zinc/83/93/15/607839315.db2.gz QWBKQZXCAUZFIM-UHFFFAOYSA-N -1 3 385.453 0.914 20 0 GCADHM COC[C@@]1(C)NC(=O)N(CN(C)c2cc(Cl)ccc2-c2nnn[n-]2)C1=O ZINC000826152525 607848983 /nfs/dbraw/zinc/84/89/83/607848983.db2.gz CKPIPCKMFQCQEN-OAHLLOKOSA-N -1 3 379.808 0.871 20 0 GCADHM COC[C@@]1(C)NC(=O)N(CN(C)c2cc(Cl)ccc2-c2nn[n-]n2)C1=O ZINC000826152525 607848984 /nfs/dbraw/zinc/84/89/84/607848984.db2.gz CKPIPCKMFQCQEN-OAHLLOKOSA-N -1 3 379.808 0.871 20 0 GCADHM CCc1nn(C)c(CC)c1CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000825759431 607850118 /nfs/dbraw/zinc/85/01/18/607850118.db2.gz GQBSCTLKTSKYFD-UHFFFAOYSA-N -1 3 390.473 0.985 20 0 GCADHM CCc1nn(C)c(CC)c1CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000825759431 607850119 /nfs/dbraw/zinc/85/01/19/607850119.db2.gz GQBSCTLKTSKYFD-UHFFFAOYSA-N -1 3 390.473 0.985 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)[C@@H]2C1 ZINC000826145502 607852432 /nfs/dbraw/zinc/85/24/32/607852432.db2.gz HQHNGTGHGOHBMO-BNOWGMLFSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)[C@@H]2C1 ZINC000826145502 607852433 /nfs/dbraw/zinc/85/24/33/607852433.db2.gz HQHNGTGHGOHBMO-BNOWGMLFSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)[C@H]2C1 ZINC000826145355 607852528 /nfs/dbraw/zinc/85/25/28/607852528.db2.gz FJRCQXMETZKJMZ-VHDGCEQUSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)[C@H]2C1 ZINC000826145355 607852529 /nfs/dbraw/zinc/85/25/29/607852529.db2.gz FJRCQXMETZKJMZ-VHDGCEQUSA-N -1 3 379.442 0.824 20 0 GCADHM CN(C)c1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000825879379 607853614 /nfs/dbraw/zinc/85/36/14/607853614.db2.gz LWNLHCDLGGJIIF-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CN(C)c1cccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000825879379 607853615 /nfs/dbraw/zinc/85/36/15/607853615.db2.gz LWNLHCDLGGJIIF-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)[C@H]2C1 ZINC000826145700 607859119 /nfs/dbraw/zinc/85/91/19/607859119.db2.gz LBFUQOCAGBVQEV-IKGGRYGDSA-N -1 3 386.456 0.751 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)[C@H]2C1 ZINC000826145700 607859120 /nfs/dbraw/zinc/85/91/20/607859120.db2.gz LBFUQOCAGBVQEV-IKGGRYGDSA-N -1 3 386.456 0.751 20 0 GCADHM CCc1nn(C)c(CC)c1CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825754524 607860858 /nfs/dbraw/zinc/86/08/58/607860858.db2.gz AZPVOQHQCZFNSM-UHFFFAOYSA-N -1 3 382.428 0.980 20 0 GCADHM CCc1nn(C)c(CC)c1CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825754524 607860859 /nfs/dbraw/zinc/86/08/59/607860859.db2.gz AZPVOQHQCZFNSM-UHFFFAOYSA-N -1 3 382.428 0.980 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)C[C@H]1CCN(C(C)=O)C1 ZINC000826174349 607861282 /nfs/dbraw/zinc/86/12/82/607861282.db2.gz SQQZDVMYOPTURQ-CYBMUJFWSA-N -1 3 388.428 0.581 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)C[C@H]1CCN(C(C)=O)C1 ZINC000826174349 607861283 /nfs/dbraw/zinc/86/12/83/607861283.db2.gz SQQZDVMYOPTURQ-CYBMUJFWSA-N -1 3 388.428 0.581 20 0 GCADHM CN(C[C@H]1CCC[C@@H]1O)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825909228 607862975 /nfs/dbraw/zinc/86/29/75/607862975.db2.gz UNCIMZJLRFSYNN-DOMZBBRYSA-N -1 3 382.428 0.868 20 0 GCADHM CN(C[C@H]1CCC[C@@H]1O)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825909228 607862976 /nfs/dbraw/zinc/86/29/76/607862976.db2.gz UNCIMZJLRFSYNN-DOMZBBRYSA-N -1 3 382.428 0.868 20 0 GCADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)COc1cccc(-n2cnnn2)c1 ZINC000826504203 607872409 /nfs/dbraw/zinc/87/24/09/607872409.db2.gz PQZGYOBKKKSMML-CQSZACIVSA-N -1 3 380.368 0.661 20 0 GCADHM NC(=O)CNC(=O)c1ccc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826391648 607876471 /nfs/dbraw/zinc/87/64/71/607876471.db2.gz VFRKWXQVVIACNE-OAHLLOKOSA-N -1 3 382.380 0.194 20 0 GCADHM NC(=O)CNC(=O)c1ccc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826391648 607876472 /nfs/dbraw/zinc/87/64/72/607876472.db2.gz VFRKWXQVVIACNE-OAHLLOKOSA-N -1 3 382.380 0.194 20 0 GCADHM C[C@@H](Oc1ccc(OC[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1)C(N)=O ZINC000824738872 607876900 /nfs/dbraw/zinc/87/69/00/607876900.db2.gz SVQREVZYBQSDMB-TZMCWYRMSA-N -1 3 399.407 0.938 20 0 GCADHM NC(=O)COc1cccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826391615 607877547 /nfs/dbraw/zinc/87/75/47/607877547.db2.gz TWLYZRUMIQYIOH-ZDUSSCGKSA-N -1 3 385.380 0.550 20 0 GCADHM O=C(CCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)NC1CCCC1 ZINC000826404933 607881532 /nfs/dbraw/zinc/88/15/32/607881532.db2.gz QIXCTDWBUZQSKW-UHFFFAOYSA-N -1 3 398.471 0.749 20 0 GCADHM O=C(CCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)NC1CCCC1 ZINC000826404933 607881533 /nfs/dbraw/zinc/88/15/33/607881533.db2.gz QIXCTDWBUZQSKW-UHFFFAOYSA-N -1 3 398.471 0.749 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H](CO)Cc1ccco1 ZINC000826280332 607906196 /nfs/dbraw/zinc/90/61/96/607906196.db2.gz XXENXYNVYYRFBH-LBPRGKRZSA-N -1 3 377.426 0.898 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H](CO)Cc1ccco1 ZINC000826280332 607906197 /nfs/dbraw/zinc/90/61/97/607906197.db2.gz XXENXYNVYYRFBH-LBPRGKRZSA-N -1 3 377.426 0.898 20 0 GCADHM Cn1ccnc1[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826363767 607907112 /nfs/dbraw/zinc/90/71/12/607907112.db2.gz BBLAOJGWFPSXNM-JTQLQIEISA-N -1 3 377.405 0.918 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826160456 607908070 /nfs/dbraw/zinc/90/80/70/607908070.db2.gz RXYNVXPWEGJMMW-ZDUSSCGKSA-N -1 3 396.473 0.322 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826160456 607908071 /nfs/dbraw/zinc/90/80/71/607908071.db2.gz RXYNVXPWEGJMMW-ZDUSSCGKSA-N -1 3 396.473 0.322 20 0 GCADHM COC[C@H](CCO)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826149655 607908368 /nfs/dbraw/zinc/90/83/68/607908368.db2.gz MHBWPSCSBNWWBC-LBPRGKRZSA-N -1 3 376.417 0.489 20 0 GCADHM COC[C@H](CCO)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826149655 607908369 /nfs/dbraw/zinc/90/83/69/607908369.db2.gz MHBWPSCSBNWWBC-LBPRGKRZSA-N -1 3 376.417 0.489 20 0 GCADHM COC[C@H](CCO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000826149914 607908493 /nfs/dbraw/zinc/90/84/93/607908493.db2.gz RTGNNAJPNWJBPL-LBPRGKRZSA-N -1 3 380.474 0.793 20 0 GCADHM COC[C@H](CCO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000826149914 607908494 /nfs/dbraw/zinc/90/84/94/607908494.db2.gz RTGNNAJPNWJBPL-LBPRGKRZSA-N -1 3 380.474 0.793 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000825971440 607913288 /nfs/dbraw/zinc/91/32/88/607913288.db2.gz GNEVFRRELGHPBW-UHFFFAOYSA-N -1 3 378.458 0.833 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000825971440 607913289 /nfs/dbraw/zinc/91/32/89/607913289.db2.gz GNEVFRRELGHPBW-UHFFFAOYSA-N -1 3 378.458 0.833 20 0 GCADHM CCOC(=O)NCCC(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825522476 607914368 /nfs/dbraw/zinc/91/43/68/607914368.db2.gz FTJGSOKQLQGGSF-UHFFFAOYSA-N -1 3 377.357 0.833 20 0 GCADHM CCOC(=O)NCCC(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825522476 607914369 /nfs/dbraw/zinc/91/43/69/607914369.db2.gz FTJGSOKQLQGGSF-UHFFFAOYSA-N -1 3 377.357 0.833 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000823981966 607914842 /nfs/dbraw/zinc/91/48/42/607914842.db2.gz UVKVAAHFDUJBQP-GFCCVEGCSA-N -1 3 390.400 0.959 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826160338 607915517 /nfs/dbraw/zinc/91/55/17/607915517.db2.gz ORGYQAUMEGWJHE-HNNXBMFYSA-N -1 3 390.444 0.539 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826160338 607915518 /nfs/dbraw/zinc/91/55/18/607915518.db2.gz ORGYQAUMEGWJHE-HNNXBMFYSA-N -1 3 390.444 0.539 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@H]1CCSC1 ZINC000824633320 607918749 /nfs/dbraw/zinc/91/87/49/607918749.db2.gz KUEPEMGWOYXVRX-PWSUYJOCSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@H]1CCSC1 ZINC000824633320 607918750 /nfs/dbraw/zinc/91/87/50/607918750.db2.gz KUEPEMGWOYXVRX-PWSUYJOCSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H]1CCSC1 ZINC000824640366 607918791 /nfs/dbraw/zinc/91/87/91/607918791.db2.gz HJBYGWBQEDECDQ-CMPLNLGQSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H]1CCSC1 ZINC000824640366 607918792 /nfs/dbraw/zinc/91/87/92/607918792.db2.gz HJBYGWBQEDECDQ-CMPLNLGQSA-N -1 3 396.498 0.497 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826068850 607919239 /nfs/dbraw/zinc/91/92/39/607919239.db2.gz ZSTRBCHRFVJZAU-LBPRGKRZSA-N -1 3 393.835 0.736 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826068850 607919240 /nfs/dbraw/zinc/91/92/40/607919240.db2.gz ZSTRBCHRFVJZAU-LBPRGKRZSA-N -1 3 393.835 0.736 20 0 GCADHM CCS(=O)(=O)N1CCN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC1 ZINC000825663401 607922556 /nfs/dbraw/zinc/92/25/56/607922556.db2.gz NIIBVXGRYAPIEU-UHFFFAOYSA-N -1 3 394.457 0.121 20 0 GCADHM CCS(=O)(=O)N1CCN(Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)CC1 ZINC000825663401 607922557 /nfs/dbraw/zinc/92/25/57/607922557.db2.gz NIIBVXGRYAPIEU-UHFFFAOYSA-N -1 3 394.457 0.121 20 0 GCADHM CCOC(=O)C1(O)CCN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC1 ZINC000825499353 607924112 /nfs/dbraw/zinc/92/41/12/607924112.db2.gz LEQKEYJWMSCFPM-UHFFFAOYSA-N -1 3 389.412 0.543 20 0 GCADHM CCOC(=O)C1(O)CCN(Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)CC1 ZINC000825499353 607924113 /nfs/dbraw/zinc/92/41/13/607924113.db2.gz LEQKEYJWMSCFPM-UHFFFAOYSA-N -1 3 389.412 0.543 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823981402 607924954 /nfs/dbraw/zinc/92/49/54/607924954.db2.gz NMXDCUAAOHAEPP-QGZVFWFLSA-N -1 3 383.456 0.916 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823981402 607924955 /nfs/dbraw/zinc/92/49/55/607924955.db2.gz NMXDCUAAOHAEPP-QGZVFWFLSA-N -1 3 383.456 0.916 20 0 GCADHM COC[C@@H](Cn1cncn1)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826149894 607925759 /nfs/dbraw/zinc/92/57/59/607925759.db2.gz REINDCJLKBLFGN-CQSZACIVSA-N -1 3 389.441 0.950 20 0 GCADHM COC[C@@H](Cn1cncn1)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826149894 607925760 /nfs/dbraw/zinc/92/57/60/607925760.db2.gz REINDCJLKBLFGN-CQSZACIVSA-N -1 3 389.441 0.950 20 0 GCADHM O=C(NCCc1cnc(C2CC2)nc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826440114 607928924 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O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N(CCO)CCOCC(F)(F)F ZINC000826475700 607942669 /nfs/dbraw/zinc/94/26/69/607942669.db2.gz NYCRULXYDAKGSS-UHFFFAOYSA-N -1 3 394.741 0.929 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)cn1 ZINC000826359150 607944228 /nfs/dbraw/zinc/94/42/28/607944228.db2.gz XZVCYXHASDEVOY-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)cn1 ZINC000826359150 607944229 /nfs/dbraw/zinc/94/42/29/607944229.db2.gz XZVCYXHASDEVOY-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM O=C(CN1CCN(c2ccccn2)CC1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826411224 607948963 /nfs/dbraw/zinc/94/89/63/607948963.db2.gz PLWIRTLGLNVSNA-UHFFFAOYSA-N -1 3 390.451 0.973 20 0 GCADHM O=C(CN1CCN(c2ccccn2)CC1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826411224 607948964 /nfs/dbraw/zinc/94/89/64/607948964.db2.gz PLWIRTLGLNVSNA-UHFFFAOYSA-N -1 3 390.451 0.973 20 0 GCADHM O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826397841 607950243 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CN(CC(=O)NC1CC1)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825892024 607959405 /nfs/dbraw/zinc/95/94/05/607959405.db2.gz CHLJIAVSFGZBRR-UHFFFAOYSA-N -1 3 385.428 0.713 20 0 GCADHM CN(CC(=O)NC1CC1)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825892024 607959406 /nfs/dbraw/zinc/95/94/06/607959406.db2.gz CHLJIAVSFGZBRR-UHFFFAOYSA-N -1 3 385.428 0.713 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826355068 607960113 /nfs/dbraw/zinc/96/01/13/607960113.db2.gz ITZYTWJYCCLWOU-AWEZNQCLSA-N -1 3 380.364 0.528 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826355068 607960114 /nfs/dbraw/zinc/96/01/14/607960114.db2.gz ITZYTWJYCCLWOU-AWEZNQCLSA-N -1 3 380.364 0.528 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826355069 607960238 /nfs/dbraw/zinc/96/02/38/607960238.db2.gz ITZYTWJYCCLWOU-CQSZACIVSA-N -1 3 380.364 0.528 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826355069 607960239 /nfs/dbraw/zinc/96/02/39/607960239.db2.gz ITZYTWJYCCLWOU-CQSZACIVSA-N -1 3 380.364 0.528 20 0 GCADHM NC(=O)COc1ccccc1C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826391721 607960443 /nfs/dbraw/zinc/96/04/43/607960443.db2.gz ZASLKAKWFPPIPU-UHFFFAOYSA-N -1 3 383.364 0.967 20 0 GCADHM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)n1ncc(-c3nnn[n-]3)c1N)C2=O ZINC000824875200 607960995 /nfs/dbraw/zinc/96/09/95/607960995.db2.gz JONFANLFMCGEJQ-IUCAKERBSA-N -1 3 387.404 0.032 20 0 GCADHM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(-c3nnn[n-]3)cn1)C2=O ZINC000824874295 607962173 /nfs/dbraw/zinc/96/21/73/607962173.db2.gz BVLQEYLVTZZFSA-QWRGUYRKSA-N -1 3 398.427 0.947 20 0 GCADHM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(-c3nn[n-]n3)cn1)C2=O ZINC000824874295 607962174 /nfs/dbraw/zinc/96/21/74/607962174.db2.gz BVLQEYLVTZZFSA-QWRGUYRKSA-N -1 3 398.427 0.947 20 0 GCADHM C[C@@](O)(CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000824680021 607967937 /nfs/dbraw/zinc/96/79/37/607967937.db2.gz XWEIDCQGULKBPD-MRXNPFEDSA-N -1 3 392.416 0.973 20 0 GCADHM C[C@@](O)(CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000824680021 607967938 /nfs/dbraw/zinc/96/79/38/607967938.db2.gz XWEIDCQGULKBPD-MRXNPFEDSA-N -1 3 392.416 0.973 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1nc2cnccn2c1=O ZINC000826159274 607970558 /nfs/dbraw/zinc/97/05/58/607970558.db2.gz ZRGJUZFRJBHELA-UHFFFAOYSA-N -1 3 381.400 0.177 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1nc2cnccn2c1=O ZINC000826159274 607970559 /nfs/dbraw/zinc/97/05/59/607970559.db2.gz ZRGJUZFRJBHELA-UHFFFAOYSA-N -1 3 381.400 0.177 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000825494044 607973137 /nfs/dbraw/zinc/97/31/37/607973137.db2.gz RGKCSUJLSSBLCF-CQSZACIVSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000825494044 607973138 /nfs/dbraw/zinc/97/31/38/607973138.db2.gz RGKCSUJLSSBLCF-CQSZACIVSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](Oc1cccc(OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1)C(N)=O ZINC000824744365 607973222 /nfs/dbraw/zinc/97/32/22/607973222.db2.gz APWWFTOEBKAECY-GFCCVEGCSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@@H](Oc1cccc(OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1)C(N)=O ZINC000824744365 607973223 /nfs/dbraw/zinc/97/32/23/607973223.db2.gz APWWFTOEBKAECY-GFCCVEGCSA-N -1 3 396.407 0.815 20 0 GCADHM Nc1ccc(Cl)nc1C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826396421 607974426 /nfs/dbraw/zinc/97/44/26/607974426.db2.gz XOAZSYNKRQTFHL-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Nc1ccc(Cl)nc1C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826396421 607974427 /nfs/dbraw/zinc/97/44/27/607974427.db2.gz XOAZSYNKRQTFHL-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825663114 607975033 /nfs/dbraw/zinc/97/50/33/607975033.db2.gz JGLHCZFCKJCUNE-UHFFFAOYSA-N -1 3 377.423 0.061 20 0 GCADHM COCC(=O)N(C)CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826147981 607979432 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20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825799477 607980534 /nfs/dbraw/zinc/98/05/34/607980534.db2.gz LZPPQVGXYISXAC-SNVBAGLBSA-N -1 3 383.368 0.836 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825799477 607980535 /nfs/dbraw/zinc/98/05/35/607980535.db2.gz LZPPQVGXYISXAC-SNVBAGLBSA-N -1 3 383.368 0.836 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824670483 607982429 /nfs/dbraw/zinc/98/24/29/607982429.db2.gz PTTQUFHEHZLLHI-GOSISDBHSA-N -1 3 384.371 0.968 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824670483 607982430 /nfs/dbraw/zinc/98/24/30/607982430.db2.gz PTTQUFHEHZLLHI-GOSISDBHSA-N -1 3 384.371 0.968 20 0 GCADHM COc1ccc(OC)c(CN2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)c1 ZINC000826210804 607988434 /nfs/dbraw/zinc/98/84/34/607988434.db2.gz FVLXABPPRMVVSE-UHFFFAOYSA-N -1 3 382.428 0.996 20 0 GCADHM CCS(=O)(=O)CCN(C)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825663703 607991702 /nfs/dbraw/zinc/99/17/02/607991702.db2.gz UNKRGVVQPCDWEA-UHFFFAOYSA-N -1 3 387.487 0.007 20 0 GCADHM CCS(=O)(=O)CCN(C)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825663703 607991703 /nfs/dbraw/zinc/99/17/03/607991703.db2.gz UNKRGVVQPCDWEA-UHFFFAOYSA-N -1 3 387.487 0.007 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825663485 607991955 /nfs/dbraw/zinc/99/19/55/607991955.db2.gz PYUXMJWSPBMNBF-AWEZNQCLSA-N -1 3 378.458 0.339 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825663485 607991956 /nfs/dbraw/zinc/99/19/56/607991956.db2.gz PYUXMJWSPBMNBF-AWEZNQCLSA-N -1 3 378.458 0.339 20 0 GCADHM COCC1(O)CCN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000826153302 607994478 /nfs/dbraw/zinc/99/44/78/607994478.db2.gz IQERQUYUZAMIQB-UHFFFAOYSA-N -1 3 376.417 0.558 20 0 GCADHM COCC1(O)CCN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000826153302 607994479 /nfs/dbraw/zinc/99/44/79/607994479.db2.gz IQERQUYUZAMIQB-UHFFFAOYSA-N -1 3 376.417 0.558 20 0 GCADHM C[C@H](CNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)Cn1cccn1 ZINC000824429451 608002058 /nfs/dbraw/zinc/00/20/58/608002058.db2.gz XENHGRDZXZPFON-LLVKDONJSA-N -1 3 379.421 0.958 20 0 GCADHM C[C@H](CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)Cn1cccn1 ZINC000824429451 608002059 /nfs/dbraw/zinc/00/20/59/608002059.db2.gz XENHGRDZXZPFON-LLVKDONJSA-N -1 3 379.421 0.958 20 0 GCADHM C[C@H](CO)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824436505 608005599 /nfs/dbraw/zinc/00/55/99/608005599.db2.gz SPYKKVZHWYTSHF-RYUDHWBXSA-N -1 3 396.473 0.058 20 0 GCADHM C[C@H](CO)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824436505 608005600 /nfs/dbraw/zinc/00/56/00/608005600.db2.gz SPYKKVZHWYTSHF-RYUDHWBXSA-N -1 3 396.473 0.058 20 0 GCADHM COC(=O)[C@@]1(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)CCSC1 ZINC000826123351 608006201 /nfs/dbraw/zinc/00/62/01/608006201.db2.gz DLKMDYALFGWKDU-MGPLVRAMSA-N -1 3 377.426 0.799 20 0 GCADHM COC(=O)[C@@]1(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)CCSC1 ZINC000826123351 608006202 /nfs/dbraw/zinc/00/62/02/608006202.db2.gz DLKMDYALFGWKDU-MGPLVRAMSA-N -1 3 377.426 0.799 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000825492802 608006940 /nfs/dbraw/zinc/00/69/40/608006940.db2.gz HRQNAOXUFUGLQO-INIZCTEOSA-N -1 3 389.412 0.720 20 0 GCADHM COCC1(O)CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826152687 608007998 /nfs/dbraw/zinc/00/79/98/608007998.db2.gz JUFJGZHZTNBRAD-INIZCTEOSA-N -1 3 386.456 0.835 20 0 GCADHM COC[C@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(N)=O ZINC000826151314 608008691 /nfs/dbraw/zinc/00/86/91/608008691.db2.gz YXABSJDVGUAOFB-INIZCTEOSA-N -1 3 396.407 0.676 20 0 GCADHM COC[C@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(N)=O ZINC000826151314 608008692 /nfs/dbraw/zinc/00/86/92/608008692.db2.gz YXABSJDVGUAOFB-INIZCTEOSA-N -1 3 396.407 0.676 20 0 GCADHM COC[C@H](NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000826150528 608009445 /nfs/dbraw/zinc/00/94/45/608009445.db2.gz GTTKCOFQOGOPMJ-HNNXBMFYSA-N -1 3 381.396 0.840 20 0 GCADHM COC[C@@H](NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1)C(N)=O ZINC000826150922 608009526 /nfs/dbraw/zinc/00/95/26/608009526.db2.gz OUYGFBMOQLUPSU-GFCCVEGCSA-N -1 3 386.368 0.269 20 0 GCADHM COC[C@@H](NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1)C(N)=O ZINC000826150922 608009527 /nfs/dbraw/zinc/00/95/27/608009527.db2.gz OUYGFBMOQLUPSU-GFCCVEGCSA-N -1 3 386.368 0.269 20 0 GCADHM Cc1c(C(=O)n2ncc(-c3nnn[n-]3)c2N)cnn1CCO[C@H]1CCCCO1 ZINC000826235164 608011594 /nfs/dbraw/zinc/01/15/94/608011594.db2.gz DKEBQULJJDCDLG-ZDUSSCGKSA-N -1 3 387.404 0.382 20 0 GCADHM COCCOc1cc(C(=O)n2ncc(-c3nnn[n-]3)c2N)nc2ccccc21 ZINC000826160800 608012271 /nfs/dbraw/zinc/01/22/71/608012271.db2.gz HHCQKLWFAINRSO-UHFFFAOYSA-N -1 3 380.368 0.907 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000825499921 608020251 /nfs/dbraw/zinc/02/02/51/608020251.db2.gz XSRRBTQYFBSUGM-NSHDSACASA-N -1 3 376.421 0.562 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000825499921 608020252 /nfs/dbraw/zinc/02/02/52/608020252.db2.gz XSRRBTQYFBSUGM-NSHDSACASA-N -1 3 376.421 0.562 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2ccnn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826388637 608030496 /nfs/dbraw/zinc/03/04/96/608030496.db2.gz FRVDIVJMLNPBED-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2ccnn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826388637 608030497 /nfs/dbraw/zinc/03/04/97/608030497.db2.gz FRVDIVJMLNPBED-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM CCOC(=O)CC[C@@H](C)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000825505994 608032448 /nfs/dbraw/zinc/03/24/48/608032448.db2.gz BCYYNGVFCOYIEY-LLVKDONJSA-N -1 3 376.421 0.705 20 0 GCADHM CCOC(=O)CC[C@@H](C)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000825505994 608032449 /nfs/dbraw/zinc/03/24/49/608032449.db2.gz BCYYNGVFCOYIEY-LLVKDONJSA-N -1 3 376.421 0.705 20 0 GCADHM O=S1(=O)CC[C@@H](CCN2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000826496380 608032452 /nfs/dbraw/zinc/03/24/52/608032452.db2.gz UITVFGSVSHSHLX-CYBMUJFWSA-N -1 3 377.474 0.209 20 0 GCADHM O=S1(=O)CC[C@@H](CCN2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000826496380 608032453 /nfs/dbraw/zinc/03/24/53/608032453.db2.gz UITVFGSVSHSHLX-CYBMUJFWSA-N -1 3 377.474 0.209 20 0 GCADHM CCOC(=O)CC[C@H](C)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000825505995 608032792 /nfs/dbraw/zinc/03/27/92/608032792.db2.gz BCYYNGVFCOYIEY-NSHDSACASA-N -1 3 376.421 0.705 20 0 GCADHM CCOC(=O)CC[C@H](C)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000825505995 608032793 /nfs/dbraw/zinc/03/27/93/608032793.db2.gz BCYYNGVFCOYIEY-NSHDSACASA-N -1 3 376.421 0.705 20 0 GCADHM CS(=O)(=O)CCNC(=S)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826222998 608047417 /nfs/dbraw/zinc/04/74/17/608047417.db2.gz XIPKKTYQHGFDOE-ZDUSSCGKSA-N -1 3 396.498 0.159 20 0 GCADHM CS(=O)(=O)CCNC(=S)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826222998 608047418 /nfs/dbraw/zinc/04/74/18/608047418.db2.gz XIPKKTYQHGFDOE-ZDUSSCGKSA-N -1 3 396.498 0.159 20 0 GCADHM NS(=O)(=O)c1cccnc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826395278 608052586 /nfs/dbraw/zinc/05/25/86/608052586.db2.gz VERDWNDBIRZEIC-CYBMUJFWSA-N -1 3 387.425 0.487 20 0 GCADHM NS(=O)(=O)c1cccnc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826395278 608052587 /nfs/dbraw/zinc/05/25/87/608052587.db2.gz VERDWNDBIRZEIC-CYBMUJFWSA-N -1 3 387.425 0.487 20 0 GCADHM CC(C)N1C(=O)C(=O)N(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824297174 608054498 /nfs/dbraw/zinc/05/44/98/608054498.db2.gz RGXSRPZONZNQFC-AWEZNQCLSA-N -1 3 399.411 0.397 20 0 GCADHM CC(C)N1C(=O)C(=O)N(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824297174 608054499 /nfs/dbraw/zinc/05/44/99/608054499.db2.gz RGXSRPZONZNQFC-AWEZNQCLSA-N -1 3 399.411 0.397 20 0 GCADHM Cn1c2ccncc2n(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1=O ZINC000826354577 608054763 /nfs/dbraw/zinc/05/47/63/608054763.db2.gz LFXUCLLBQQSEFY-KRWDZBQOSA-N -1 3 392.423 0.946 20 0 GCADHM Cn1c2ccncc2n(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1=O ZINC000826354577 608054764 /nfs/dbraw/zinc/05/47/64/608054764.db2.gz LFXUCLLBQQSEFY-KRWDZBQOSA-N -1 3 392.423 0.946 20 0 GCADHM Cn1c(CO)nn(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1=S ZINC000826355119 608054901 /nfs/dbraw/zinc/05/49/01/608054901.db2.gz KSBUENHUCJOQBD-ZDUSSCGKSA-N -1 3 388.457 0.654 20 0 GCADHM Cn1c(CO)nn(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1=S ZINC000826355119 608054902 /nfs/dbraw/zinc/05/49/02/608054902.db2.gz KSBUENHUCJOQBD-ZDUSSCGKSA-N -1 3 388.457 0.654 20 0 GCADHM CCCN1C(=O)C(=O)N(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000825323387 608054962 /nfs/dbraw/zinc/05/49/62/608054962.db2.gz VHQHJSQSKPRKRS-CQSZACIVSA-N -1 3 399.411 0.398 20 0 GCADHM CCCN1C(=O)C(=O)N(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000825323387 608054963 /nfs/dbraw/zinc/05/49/63/608054963.db2.gz VHQHJSQSKPRKRS-CQSZACIVSA-N -1 3 399.411 0.398 20 0 GCADHM Cn1c(CO)nn(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1=S ZINC000826355118 608054965 /nfs/dbraw/zinc/05/49/65/608054965.db2.gz KSBUENHUCJOQBD-CYBMUJFWSA-N -1 3 388.457 0.654 20 0 GCADHM Cn1c(CO)nn(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1=S ZINC000826355118 608054966 /nfs/dbraw/zinc/05/49/66/608054966.db2.gz KSBUENHUCJOQBD-CYBMUJFWSA-N -1 3 388.457 0.654 20 0 GCADHM O=c1n(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nc2n1CCCC2 ZINC000826502030 608055098 /nfs/dbraw/zinc/05/50/98/608055098.db2.gz RLMBVVPWBKVDLK-HNNXBMFYSA-N -1 3 382.428 0.592 20 0 GCADHM O=c1n(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nc2n1CCCC2 ZINC000826502030 608055099 /nfs/dbraw/zinc/05/50/99/608055099.db2.gz RLMBVVPWBKVDLK-HNNXBMFYSA-N -1 3 382.428 0.592 20 0 GCADHM O=C1C[C@]2(CCOC2)CN1CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826479869 608055137 /nfs/dbraw/zinc/05/51/37/608055137.db2.gz KUZKQQHVJFZQMS-VQIMIIECSA-N -1 3 384.440 0.837 20 0 GCADHM O=C1C[C@]2(CCOC2)CN1CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826479869 608055138 /nfs/dbraw/zinc/05/51/38/608055138.db2.gz KUZKQQHVJFZQMS-VQIMIIECSA-N -1 3 384.440 0.837 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826484554 608056087 /nfs/dbraw/zinc/05/60/87/608056087.db2.gz HJVDNMOKTSYYKO-IUODEOHRSA-N -1 3 379.442 0.606 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826484554 608056088 /nfs/dbraw/zinc/05/60/88/608056088.db2.gz HJVDNMOKTSYYKO-IUODEOHRSA-N -1 3 379.442 0.606 20 0 GCADHM O=S(=O)(CC1CCOCC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826484660 608056603 /nfs/dbraw/zinc/05/66/03/608056603.db2.gz KTKKUEYCVCKDQY-INIZCTEOSA-N -1 3 393.469 0.996 20 0 GCADHM O=S(=O)(CC1CCOCC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826484660 608056604 /nfs/dbraw/zinc/05/66/04/608056604.db2.gz KTKKUEYCVCKDQY-INIZCTEOSA-N -1 3 393.469 0.996 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826364994 608056618 /nfs/dbraw/zinc/05/66/18/608056618.db2.gz WFHBRYMJYMBJJO-ZDUSSCGKSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826364994 608056619 /nfs/dbraw/zinc/05/66/19/608056619.db2.gz WFHBRYMJYMBJJO-ZDUSSCGKSA-N -1 3 375.414 0.362 20 0 GCADHM O=C(Cn1cnc(-c2ccccc2)n1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826425353 608058535 /nfs/dbraw/zinc/05/85/35/608058535.db2.gz ZGNQXIMZHGSKAP-UHFFFAOYSA-N -1 3 390.411 0.749 20 0 GCADHM O=C(Cn1cnc(-c2ccccc2)n1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826425353 608058536 /nfs/dbraw/zinc/05/85/36/608058536.db2.gz ZGNQXIMZHGSKAP-UHFFFAOYSA-N -1 3 390.411 0.749 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826493835 608059945 /nfs/dbraw/zinc/05/99/45/608059945.db2.gz DZSFXCIBFOWVHM-UHFFFAOYSA-N -1 3 377.348 0.945 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826493835 608059946 /nfs/dbraw/zinc/05/99/46/608059946.db2.gz DZSFXCIBFOWVHM-UHFFFAOYSA-N -1 3 377.348 0.945 20 0 GCADHM CC(C)NC(=O)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824301212 608061173 /nfs/dbraw/zinc/06/11/73/608061173.db2.gz SQGYTHOVVOJPSQ-OAHLLOKOSA-N -1 3 387.444 0.864 20 0 GCADHM CC(C)NC(=O)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824301212 608061174 /nfs/dbraw/zinc/06/11/74/608061174.db2.gz SQGYTHOVVOJPSQ-OAHLLOKOSA-N -1 3 387.444 0.864 20 0 GCADHM C[C@H](CN1CCCC1=O)NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824414205 608061716 /nfs/dbraw/zinc/06/17/16/608061716.db2.gz XMDIFPRHYDJURG-CJNGLKHVSA-N -1 3 399.455 0.961 20 0 GCADHM C[C@H](CN1CCCC1=O)NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824414205 608061717 /nfs/dbraw/zinc/06/17/17/608061717.db2.gz XMDIFPRHYDJURG-CJNGLKHVSA-N -1 3 399.455 0.961 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824464524 608062438 /nfs/dbraw/zinc/06/24/38/608062438.db2.gz HNBDZQHOROCPRT-IUODEOHRSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824464524 608062439 /nfs/dbraw/zinc/06/24/39/608062439.db2.gz HNBDZQHOROCPRT-IUODEOHRSA-N -1 3 383.416 0.630 20 0 GCADHM CN1CCC[C@@H](NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000826028477 608064671 /nfs/dbraw/zinc/06/46/71/608064671.db2.gz AYFQBLAPFGPQTC-CABCVRRESA-N -1 3 385.428 0.570 20 0 GCADHM CN1CCC[C@@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000826028477 608064672 /nfs/dbraw/zinc/06/46/72/608064672.db2.gz AYFQBLAPFGPQTC-CABCVRRESA-N -1 3 385.428 0.570 20 0 GCADHM O=C(NCc1nnnn1C1CC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826443835 608064967 /nfs/dbraw/zinc/06/49/67/608064967.db2.gz GABNOWUBZVHFJD-AWEZNQCLSA-N -1 3 396.415 0.471 20 0 GCADHM O=C(NCc1nnnn1C1CC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826443835 608064968 /nfs/dbraw/zinc/06/49/68/608064968.db2.gz GABNOWUBZVHFJD-AWEZNQCLSA-N -1 3 396.415 0.471 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000825035279 608065446 /nfs/dbraw/zinc/06/54/46/608065446.db2.gz ZHQZYXXEMBLZTF-HZPDHXFCSA-N -1 3 399.455 0.961 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000825035279 608065447 /nfs/dbraw/zinc/06/54/47/608065447.db2.gz ZHQZYXXEMBLZTF-HZPDHXFCSA-N -1 3 399.455 0.961 20 0 GCADHM C[C@H](CNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC000824419799 608066103 /nfs/dbraw/zinc/06/61/03/608066103.db2.gz BRHNIVGQOKLMOU-RISCZKNCSA-N -1 3 394.457 0.383 20 0 GCADHM C[C@H](CNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC000824419799 608066104 /nfs/dbraw/zinc/06/61/04/608066104.db2.gz BRHNIVGQOKLMOU-RISCZKNCSA-N -1 3 394.457 0.383 20 0 GCADHM O[C@H](COC[C@@H]1CCCO1)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826504440 608067981 /nfs/dbraw/zinc/06/79/81/608067981.db2.gz WDHQZWZSPQEFSL-OKZBNKHCSA-N -1 3 389.456 0.797 20 0 GCADHM CCOC(=O)CN(C)C(=O)CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825511866 608068255 /nfs/dbraw/zinc/06/82/55/608068255.db2.gz IORJCFCHOCPRPN-OAHLLOKOSA-N -1 3 388.428 0.262 20 0 GCADHM CCOC(=O)CN(C)C(=O)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825511866 608068256 /nfs/dbraw/zinc/06/82/56/608068256.db2.gz IORJCFCHOCPRPN-OAHLLOKOSA-N -1 3 388.428 0.262 20 0 GCADHM O=C(CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)NCc1ccccn1 ZINC000826411204 608069259 /nfs/dbraw/zinc/06/92/59/608069259.db2.gz OPVDGWIJIAJPBH-KRWDZBQOSA-N -1 3 379.424 0.951 20 0 GCADHM O=C(CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)NCc1ccccn1 ZINC000826411204 608069260 /nfs/dbraw/zinc/06/92/60/608069260.db2.gz OPVDGWIJIAJPBH-KRWDZBQOSA-N -1 3 379.424 0.951 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C[C@H](C)O1 ZINC000824968499 608071703 /nfs/dbraw/zinc/07/17/03/608071703.db2.gz PSSHXJJNFPQGEX-JKIFEVAISA-N -1 3 386.456 0.876 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C[C@H](C)O1 ZINC000824968499 608071704 /nfs/dbraw/zinc/07/17/04/608071704.db2.gz PSSHXJJNFPQGEX-JKIFEVAISA-N -1 3 386.456 0.876 20 0 GCADHM COCCCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826156213 608072418 /nfs/dbraw/zinc/07/24/18/608072418.db2.gz TWLFLICTMVQJET-UHFFFAOYSA-N -1 3 398.427 0.760 20 0 GCADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)NCC[C@@H](C)O)c1C ZINC000826331518 608074794 /nfs/dbraw/zinc/07/47/94/608074794.db2.gz LSJXDBWJTOSLCK-SNVBAGLBSA-N -1 3 398.427 0.495 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000825799057 608080252 /nfs/dbraw/zinc/08/02/52/608080252.db2.gz BGVCJZGOUUVATF-HNNXBMFYSA-N -1 3 381.396 0.866 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000825799057 608080253 /nfs/dbraw/zinc/08/02/53/608080253.db2.gz BGVCJZGOUUVATF-HNNXBMFYSA-N -1 3 381.396 0.866 20 0 GCADHM O=C(CNC(=O)c1ccncc1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826432753 608081306 /nfs/dbraw/zinc/08/13/06/608081306.db2.gz JTJVGRLMFYMMIS-MRXNPFEDSA-N -1 3 393.407 0.592 20 0 GCADHM O=C(CNC(=O)c1ccncc1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826432753 608081307 /nfs/dbraw/zinc/08/13/07/608081307.db2.gz JTJVGRLMFYMMIS-MRXNPFEDSA-N -1 3 393.407 0.592 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826360073 608081312 /nfs/dbraw/zinc/08/13/12/608081312.db2.gz WVIOOEOKQADWKY-HNNXBMFYSA-N -1 3 381.396 0.518 20 0 GCADHM Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826360073 608081313 /nfs/dbraw/zinc/08/13/13/608081313.db2.gz WVIOOEOKQADWKY-HNNXBMFYSA-N -1 3 381.396 0.518 20 0 GCADHM CC(C)(NS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824166828 608082351 /nfs/dbraw/zinc/08/23/51/608082351.db2.gz KXLPMEVUPFHGBE-ZDUSSCGKSA-N -1 3 394.457 0.094 20 0 GCADHM CC(C)(NS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824166828 608082352 /nfs/dbraw/zinc/08/23/52/608082352.db2.gz KXLPMEVUPFHGBE-ZDUSSCGKSA-N -1 3 394.457 0.094 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826398843 608084126 /nfs/dbraw/zinc/08/41/26/608084126.db2.gz HEEWSEYMAJIAGJ-ZIAGYGMSSA-N -1 3 377.426 0.201 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826398843 608084125 /nfs/dbraw/zinc/08/41/25/608084125.db2.gz HEEWSEYMAJIAGJ-ZIAGYGMSSA-N -1 3 377.426 0.201 20 0 GCADHM NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000826391767 608089563 /nfs/dbraw/zinc/08/95/63/608089563.db2.gz BAQYYQILCWPBSH-CABCVRRESA-N -1 3 385.428 0.557 20 0 GCADHM NC(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000826391767 608089564 /nfs/dbraw/zinc/08/95/64/608089564.db2.gz BAQYYQILCWPBSH-CABCVRRESA-N -1 3 385.428 0.557 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000823975332 608102980 /nfs/dbraw/zinc/10/29/80/608102980.db2.gz XBJUZZJKDHEZTR-DGCLKSJQSA-N -1 3 386.412 0.995 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000823975332 608102981 /nfs/dbraw/zinc/10/29/81/608102981.db2.gz XBJUZZJKDHEZTR-DGCLKSJQSA-N -1 3 386.412 0.995 20 0 GCADHM CC[C@H](OC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000825155007 608103907 /nfs/dbraw/zinc/10/39/07/608103907.db2.gz XCIKWGPUNOSIIY-LBPRGKRZSA-N -1 3 382.398 0.276 20 0 GCADHM CC[C@H](OC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825155007 608103908 /nfs/dbraw/zinc/10/39/08/608103908.db2.gz XCIKWGPUNOSIIY-LBPRGKRZSA-N -1 3 382.398 0.276 20 0 GCADHM CCCC[C@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000825266428 608104055 /nfs/dbraw/zinc/10/40/55/608104055.db2.gz FZEIOSZQCFBQLE-ZDUSSCGKSA-N -1 3 375.385 0.872 20 0 GCADHM CCCC[C@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825266428 608104056 /nfs/dbraw/zinc/10/40/56/608104056.db2.gz FZEIOSZQCFBQLE-ZDUSSCGKSA-N -1 3 375.385 0.872 20 0 GCADHM CCOC(=O)C(C)(C)C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000825484719 608104303 /nfs/dbraw/zinc/10/43/03/608104303.db2.gz APSJORXIEHAZDN-UHFFFAOYSA-N -1 3 375.385 0.615 20 0 GCADHM CCOC(=O)C(C)(C)C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000825484719 608104304 /nfs/dbraw/zinc/10/43/04/608104304.db2.gz APSJORXIEHAZDN-UHFFFAOYSA-N -1 3 375.385 0.615 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](NC(N)=O)C1 ZINC000824047142 608105573 /nfs/dbraw/zinc/10/55/73/608105573.db2.gz YAEIMGBBDLASAT-PSASIEDQSA-N -1 3 378.824 0.590 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](NC(N)=O)C1 ZINC000824047142 608105574 /nfs/dbraw/zinc/10/55/74/608105574.db2.gz YAEIMGBBDLASAT-PSASIEDQSA-N -1 3 378.824 0.590 20 0 GCADHM O=C1C[C@H](N2CCN3C(=O)OCC[C@H]3C2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000826479245 608109698 /nfs/dbraw/zinc/10/96/98/608109698.db2.gz UQDFILWAQLLRNP-KBPBESRZSA-N -1 3 397.395 0.025 20 0 GCADHM O=C1C[C@H](N2CCN3C(=O)OCC[C@H]3C2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000826479245 608109699 /nfs/dbraw/zinc/10/96/99/608109699.db2.gz UQDFILWAQLLRNP-KBPBESRZSA-N -1 3 397.395 0.025 20 0 GCADHM Cc1nc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c(=O)[nH]c1C ZINC000826323663 608109793 /nfs/dbraw/zinc/10/97/93/608109793.db2.gz MRPLMZAJFSTHLE-UHFFFAOYSA-N -1 3 394.439 0.525 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000826255685 608111553 /nfs/dbraw/zinc/11/15/53/608111553.db2.gz HGPIFYQMOGLWFW-ZIAGYGMSSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000826255685 608111554 /nfs/dbraw/zinc/11/15/54/608111554.db2.gz HGPIFYQMOGLWFW-ZIAGYGMSSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000826255683 608111614 /nfs/dbraw/zinc/11/16/14/608111614.db2.gz HGPIFYQMOGLWFW-KGLIPLIRSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000826255683 608111615 /nfs/dbraw/zinc/11/16/15/608111615.db2.gz HGPIFYQMOGLWFW-KGLIPLIRSA-N -1 3 390.469 0.854 20 0 GCADHM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CN1 ZINC000826479004 608111839 /nfs/dbraw/zinc/11/18/39/608111839.db2.gz NYDHKPCCZBXKHU-MFKMUULPSA-N -1 3 394.432 0.685 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1-c1nnn[n-]1 ZINC000826301888 608111844 /nfs/dbraw/zinc/11/18/44/608111844.db2.gz SQGYQIFLKDTSSQ-STQMWFEESA-N -1 3 390.469 0.854 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1-c1nn[n-]n1 ZINC000826301888 608111845 /nfs/dbraw/zinc/11/18/45/608111845.db2.gz SQGYQIFLKDTSSQ-STQMWFEESA-N -1 3 390.469 0.854 20 0 GCADHM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CN1 ZINC000826478858 608112021 /nfs/dbraw/zinc/11/20/21/608112021.db2.gz KRKAJNNMQJLEJA-LSDHHAIUSA-N -1 3 390.469 0.687 20 0 GCADHM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CN1 ZINC000826478858 608112022 /nfs/dbraw/zinc/11/20/22/608112022.db2.gz KRKAJNNMQJLEJA-LSDHHAIUSA-N -1 3 390.469 0.687 20 0 GCADHM COc1ccc(CNC(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826197561 608114001 /nfs/dbraw/zinc/11/40/01/608114001.db2.gz ULTWUDFHUNWKPU-UHFFFAOYSA-N -1 3 396.473 0.840 20 0 GCADHM COc1ccc(CNC(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826197561 608114002 /nfs/dbraw/zinc/11/40/02/608114002.db2.gz ULTWUDFHUNWKPU-UHFFFAOYSA-N -1 3 396.473 0.840 20 0 GCADHM CCCn1c(C)nnc1COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825352122 608116303 /nfs/dbraw/zinc/11/63/03/608116303.db2.gz KHDVKKSWSDMRHM-UHFFFAOYSA-N -1 3 384.400 0.650 20 0 GCADHM CCCn1c(C)nnc1COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825352122 608116304 /nfs/dbraw/zinc/11/63/04/608116304.db2.gz KHDVKKSWSDMRHM-UHFFFAOYSA-N -1 3 384.400 0.650 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000826276963 608118460 /nfs/dbraw/zinc/11/84/60/608118460.db2.gz DTHLYSOMLNWYAG-UHFFFAOYSA-N -1 3 394.457 0.395 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O ZINC000826276963 608118461 /nfs/dbraw/zinc/11/84/61/608118461.db2.gz DTHLYSOMLNWYAG-UHFFFAOYSA-N -1 3 394.457 0.395 20 0 GCADHM C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000824449241 608124732 /nfs/dbraw/zinc/12/47/32/608124732.db2.gz MXWIQMYNQIGRDY-CTGLIMNLSA-N -1 3 397.404 0.931 20 0 GCADHM C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824449241 608124733 /nfs/dbraw/zinc/12/47/33/608124733.db2.gz MXWIQMYNQIGRDY-CTGLIMNLSA-N -1 3 397.404 0.931 20 0 GCADHM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824448164 608124765 /nfs/dbraw/zinc/12/47/65/608124765.db2.gz GKCFPFAHBFYZLY-JHNRLJBESA-N -1 3 397.404 0.931 20 0 GCADHM C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824448164 608124766 /nfs/dbraw/zinc/12/47/66/608124766.db2.gz GKCFPFAHBFYZLY-JHNRLJBESA-N -1 3 397.404 0.931 20 0 GCADHM O=C1NC2(CO1)CCN(CCS(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826482988 608126749 /nfs/dbraw/zinc/12/67/49/608126749.db2.gz WYPDTIICVVIADA-UHFFFAOYSA-N -1 3 392.441 0.215 20 0 GCADHM O=C1NC2(CO1)CCN(CCS(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826482988 608126750 /nfs/dbraw/zinc/12/67/50/608126750.db2.gz WYPDTIICVVIADA-UHFFFAOYSA-N -1 3 392.441 0.215 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCOCC2(CCOCC2)C1 ZINC000826495226 608128875 /nfs/dbraw/zinc/12/88/75/608128875.db2.gz HUERTEUMTZPFIL-UHFFFAOYSA-N -1 3 397.432 0.824 20 0 GCADHM COCC[C@H](Cc1ccco1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826154193 608139548 /nfs/dbraw/zinc/13/95/48/608139548.db2.gz KHRAJTWTKKHOOS-OAHLLOKOSA-N -1 3 398.423 0.954 20 0 GCADHM COCC[C@H](Cc1ccco1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826154193 608139549 /nfs/dbraw/zinc/13/95/49/608139549.db2.gz KHRAJTWTKKHOOS-OAHLLOKOSA-N -1 3 398.423 0.954 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000826395407 608142251 /nfs/dbraw/zinc/14/22/51/608142251.db2.gz AFUHZYLMHWILCD-UHFFFAOYSA-N -1 3 385.310 0.651 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000826395407 608142252 /nfs/dbraw/zinc/14/22/52/608142252.db2.gz AFUHZYLMHWILCD-UHFFFAOYSA-N -1 3 385.310 0.651 20 0 GCADHM O=C(NCCCn1ccnn1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000826437696 608144311 /nfs/dbraw/zinc/14/43/11/608144311.db2.gz XOBOQHWJHIGCNI-UHFFFAOYSA-N -1 3 375.780 0.257 20 0 GCADHM O=C(NCCCn1ccnn1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000826437696 608144312 /nfs/dbraw/zinc/14/43/12/608144312.db2.gz XOBOQHWJHIGCNI-UHFFFAOYSA-N -1 3 375.780 0.257 20 0 GCADHM CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826223235 608144984 /nfs/dbraw/zinc/14/49/84/608144984.db2.gz GCBCNHBVLDRQCY-LBPRGKRZSA-N -1 3 379.398 0.017 20 0 GCADHM CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826223235 608144985 /nfs/dbraw/zinc/14/49/85/608144985.db2.gz GCBCNHBVLDRQCY-LBPRGKRZSA-N -1 3 379.398 0.017 20 0 GCADHM Cn1cc(C(C)(C)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000826358725 608145125 /nfs/dbraw/zinc/14/51/25/608145125.db2.gz FYRKXCFTERWOSS-UHFFFAOYSA-N -1 3 381.444 0.622 20 0 GCADHM Cn1cc(C(C)(C)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000826358725 608145126 /nfs/dbraw/zinc/14/51/26/608145126.db2.gz FYRKXCFTERWOSS-UHFFFAOYSA-N -1 3 381.444 0.622 20 0 GCADHM O=C(NCC[C@H]1CCOC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826436040 608145836 /nfs/dbraw/zinc/14/58/36/608145836.db2.gz FXXPBPJNBLCFDD-VIFPVBQESA-N -1 3 396.354 0.949 20 0 GCADHM O=C(NCC[C@H]1CCOC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826436040 608145837 /nfs/dbraw/zinc/14/58/37/608145837.db2.gz FXXPBPJNBLCFDD-VIFPVBQESA-N -1 3 396.354 0.949 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCN1CCOCC1=O ZINC000824207373 608146893 /nfs/dbraw/zinc/14/68/93/608146893.db2.gz VHBXTDVUDVNLPA-MRXNPFEDSA-N -1 3 389.412 0.672 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCN1CCOCC1=O ZINC000824207373 608146894 /nfs/dbraw/zinc/14/68/94/608146894.db2.gz VHBXTDVUDVNLPA-MRXNPFEDSA-N -1 3 389.412 0.672 20 0 GCADHM CC1([C@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)OCCO1 ZINC000824817129 608146914 /nfs/dbraw/zinc/14/69/14/608146914.db2.gz KYHHRVJGJKPXLK-ZDUSSCGKSA-N -1 3 386.412 0.807 20 0 GCADHM CC1([C@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)OCCO1 ZINC000824817129 608146915 /nfs/dbraw/zinc/14/69/15/608146915.db2.gz KYHHRVJGJKPXLK-ZDUSSCGKSA-N -1 3 386.412 0.807 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476516 608163255 /nfs/dbraw/zinc/16/32/55/608163255.db2.gz MJRQGWAEXLLFQE-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476516 608163256 /nfs/dbraw/zinc/16/32/56/608163256.db2.gz MJRQGWAEXLLFQE-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825581900 608166422 /nfs/dbraw/zinc/16/64/22/608166422.db2.gz FVUHXUFDWHUVSC-ZDUSSCGKSA-N -1 3 387.400 0.927 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000825581900 608166424 /nfs/dbraw/zinc/16/64/24/608166424.db2.gz FVUHXUFDWHUVSC-ZDUSSCGKSA-N -1 3 387.400 0.927 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825582758 608166458 /nfs/dbraw/zinc/16/64/58/608166458.db2.gz MTDQJVABBLPXIW-ZDUSSCGKSA-N -1 3 377.401 0.663 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825582758 608166459 /nfs/dbraw/zinc/16/64/59/608166459.db2.gz MTDQJVABBLPXIW-ZDUSSCGKSA-N -1 3 377.401 0.663 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826413000 608166966 /nfs/dbraw/zinc/16/69/66/608166966.db2.gz MLILZGCFWUNKAI-SJORKVTESA-N -1 3 382.424 0.879 20 0 GCADHM O=C1[C@@H](N2CCN3C(=O)OCC[C@@H]3C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000826477320 608168417 /nfs/dbraw/zinc/16/84/17/608168417.db2.gz ZZPDNVRARJRXEA-PWSUYJOCSA-N -1 3 389.441 0.560 20 0 GCADHM O=C1[C@@H](N2CCN3C(=O)OCC[C@@H]3C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000826477320 608168419 /nfs/dbraw/zinc/16/84/19/608168419.db2.gz ZZPDNVRARJRXEA-PWSUYJOCSA-N -1 3 389.441 0.560 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000826479348 608168585 /nfs/dbraw/zinc/16/85/85/608168585.db2.gz WWTFNUFVBKCNQI-GDBMZVCRSA-N -1 3 399.455 0.946 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N(C)CC(C)(C)S(C)(=O)=O ZINC000824045875 608168688 /nfs/dbraw/zinc/16/86/88/608168688.db2.gz OMLFXBAJMPHMCO-NSHDSACASA-N -1 3 380.474 0.949 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)CC(C)(C)S(C)(=O)=O ZINC000824045875 608168690 /nfs/dbraw/zinc/16/86/90/608168690.db2.gz OMLFXBAJMPHMCO-NSHDSACASA-N -1 3 380.474 0.949 20 0 GCADHM CN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)CC(C)(C)S(C)(=O)=O ZINC000825902149 608169158 /nfs/dbraw/zinc/16/91/58/608169158.db2.gz OPOGKJPNNJTYOH-ZDUSSCGKSA-N -1 3 383.474 0.361 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000826413996 608169413 /nfs/dbraw/zinc/16/94/13/608169413.db2.gz ZFNBIGMDGSGQHW-AWEZNQCLSA-N -1 3 392.423 0.875 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000826413996 608169414 /nfs/dbraw/zinc/16/94/14/608169414.db2.gz ZFNBIGMDGSGQHW-AWEZNQCLSA-N -1 3 392.423 0.875 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)OCC[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826341524 608169853 /nfs/dbraw/zinc/16/98/53/608169853.db2.gz JPGBWVJXYKDWFK-JQWIXIFHSA-N -1 3 389.416 0.930 20 0 GCADHM O=C1OCC[C@H]2CN(CCS(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCN12 ZINC000826483345 608170345 /nfs/dbraw/zinc/17/03/45/608170345.db2.gz KKCJYCUPXHEWIW-ZDUSSCGKSA-N -1 3 392.441 0.167 20 0 GCADHM O=C1OCC[C@H]2CN(CCS(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCN12 ZINC000826483345 608170346 /nfs/dbraw/zinc/17/03/46/608170346.db2.gz KKCJYCUPXHEWIW-ZDUSSCGKSA-N -1 3 392.441 0.167 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000825796232 608174599 /nfs/dbraw/zinc/17/45/99/608174599.db2.gz AKKHGQYDCSSXKK-UHFFFAOYSA-N -1 3 381.356 0.288 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000825796232 608174601 /nfs/dbraw/zinc/17/46/01/608174601.db2.gz AKKHGQYDCSSXKK-UHFFFAOYSA-N -1 3 381.356 0.288 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000826172655 608177119 /nfs/dbraw/zinc/17/71/19/608177119.db2.gz QRMWSFKONIGZHN-UHFFFAOYSA-N -1 3 382.336 0.958 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000826172655 608177121 /nfs/dbraw/zinc/17/71/21/608177121.db2.gz QRMWSFKONIGZHN-UHFFFAOYSA-N -1 3 382.336 0.958 20 0 GCADHM CCN1C(=O)N=NC1C1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825787285 608185253 /nfs/dbraw/zinc/18/52/53/608185253.db2.gz AKSFHLSNUZPUJT-UHFFFAOYSA-N -1 3 398.427 0.969 20 0 GCADHM O=C([C@@H](O)CCc1ccccc1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826397062 608186165 /nfs/dbraw/zinc/18/61/65/608186165.db2.gz SSUYZGVINLEYRC-KRWDZBQOSA-N -1 3 393.451 0.904 20 0 GCADHM O=C([C@@H](O)CCc1ccccc1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826397062 608186168 /nfs/dbraw/zinc/18/61/68/608186168.db2.gz SSUYZGVINLEYRC-KRWDZBQOSA-N -1 3 393.451 0.904 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC(C(F)F)C1 ZINC000824633491 608186780 /nfs/dbraw/zinc/18/67/80/608186780.db2.gz OQSFKACYLKWKJH-QMMMGPOBSA-N -1 3 386.384 0.257 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC(C(F)F)C1 ZINC000824633491 608186781 /nfs/dbraw/zinc/18/67/81/608186781.db2.gz OQSFKACYLKWKJH-QMMMGPOBSA-N -1 3 386.384 0.257 20 0 GCADHM CC(=O)N1CCOC[C@@H]1C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000823981041 608190521 /nfs/dbraw/zinc/19/05/21/608190521.db2.gz JXWZUKYDNMBTHM-OAHLLOKOSA-N -1 3 396.411 0.120 20 0 GCADHM CC(=O)N1CCOC[C@@H]1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000823981041 608190523 /nfs/dbraw/zinc/19/05/23/608190523.db2.gz JXWZUKYDNMBTHM-OAHLLOKOSA-N -1 3 396.411 0.120 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826277322 608192271 /nfs/dbraw/zinc/19/22/71/608192271.db2.gz QUYOGTFYXADKHS-FZKQIMNGSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826277322 608192273 /nfs/dbraw/zinc/19/22/73/608192273.db2.gz QUYOGTFYXADKHS-FZKQIMNGSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1-c1nnn[n-]1 ZINC000826298959 608192617 /nfs/dbraw/zinc/19/26/17/608192617.db2.gz MFMVCIHUVYKKAG-KZULUSFZSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1-c1nn[n-]n1 ZINC000826298959 608192618 /nfs/dbraw/zinc/19/26/18/608192618.db2.gz MFMVCIHUVYKKAG-KZULUSFZSA-N -1 3 386.412 0.568 20 0 GCADHM CC[C@@H](C)N(OC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825067063 608193585 /nfs/dbraw/zinc/19/35/85/608193585.db2.gz GUXYOJRXQXFQAE-MNOVXSKESA-N -1 3 382.446 0.722 20 0 GCADHM CC[C@@H](C)N(OC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825067063 608193587 /nfs/dbraw/zinc/19/35/87/608193587.db2.gz GUXYOJRXQXFQAE-MNOVXSKESA-N -1 3 382.446 0.722 20 0 GCADHM COc1cccc([C@H](O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826215183 608195159 /nfs/dbraw/zinc/19/51/59/608195159.db2.gz IQPYXWLVFLPLBA-KRWDZBQOSA-N -1 3 395.423 0.653 20 0 GCADHM COc1cccc([C@H](O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826215183 608195160 /nfs/dbraw/zinc/19/51/60/608195160.db2.gz IQPYXWLVFLPLBA-KRWDZBQOSA-N -1 3 395.423 0.653 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc(Cl)[nH]n1 ZINC000824633932 608199668 /nfs/dbraw/zinc/19/96/68/608199668.db2.gz RWONBZOVMAFQHG-ZETCQYMHSA-N -1 3 396.820 0.549 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc(Cl)[nH]n1 ZINC000824633932 608199670 /nfs/dbraw/zinc/19/96/70/608199670.db2.gz RWONBZOVMAFQHG-ZETCQYMHSA-N -1 3 396.820 0.549 20 0 GCADHM Cc1nc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826326952 608201862 /nfs/dbraw/zinc/20/18/62/608201862.db2.gz LVQNXZZYPZHHKY-QMMMGPOBSA-N -1 3 393.454 0.937 20 0 GCADHM Cc1nc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826326952 608201863 /nfs/dbraw/zinc/20/18/63/608201863.db2.gz LVQNXZZYPZHHKY-QMMMGPOBSA-N -1 3 393.454 0.937 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825476767 608202914 /nfs/dbraw/zinc/20/29/14/608202914.db2.gz VJUVAYQPWLJGLY-VIFPVBQESA-N -1 3 385.837 0.069 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825476767 608202915 /nfs/dbraw/zinc/20/29/15/608202915.db2.gz VJUVAYQPWLJGLY-VIFPVBQESA-N -1 3 385.837 0.069 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826438156 608203182 /nfs/dbraw/zinc/20/31/82/608203182.db2.gz PLXVGPQELGJSGE-SJCJKPOMSA-N -1 3 388.432 0.311 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826438156 608203184 /nfs/dbraw/zinc/20/31/84/608203184.db2.gz PLXVGPQELGJSGE-SJCJKPOMSA-N -1 3 388.432 0.311 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826437981 608203552 /nfs/dbraw/zinc/20/35/52/608203552.db2.gz IVFRBGRJISJETE-GUYCJALGSA-N -1 3 388.432 0.311 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826437981 608203554 /nfs/dbraw/zinc/20/35/54/608203554.db2.gz IVFRBGRJISJETE-GUYCJALGSA-N -1 3 388.432 0.311 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000826478378 608210105 /nfs/dbraw/zinc/21/01/05/608210105.db2.gz AHHWBWXHMWPURH-CABCVRRESA-N -1 3 397.439 0.114 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000826478378 608210108 /nfs/dbraw/zinc/21/01/08/608210108.db2.gz AHHWBWXHMWPURH-CABCVRRESA-N -1 3 397.439 0.114 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476194 608210673 /nfs/dbraw/zinc/21/06/73/608210673.db2.gz BUGFTAJCHLZDHP-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476194 608210674 /nfs/dbraw/zinc/21/06/74/608210674.db2.gz BUGFTAJCHLZDHP-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476350 608210921 /nfs/dbraw/zinc/21/09/21/608210921.db2.gz HHNOWNWAVJJYMM-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476350 608210922 /nfs/dbraw/zinc/21/09/22/608210922.db2.gz HHNOWNWAVJJYMM-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(C(=O)NCCO)cc1 ZINC000824757653 608212536 /nfs/dbraw/zinc/21/25/36/608212536.db2.gz ZMGDQHIINCYTJD-GFCCVEGCSA-N -1 3 396.407 0.995 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(C(=O)NCCO)cc1 ZINC000824757653 608212538 /nfs/dbraw/zinc/21/25/38/608212538.db2.gz ZMGDQHIINCYTJD-GFCCVEGCSA-N -1 3 396.407 0.995 20 0 GCADHM Cn1nnnc1-c1cccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826367194 608216399 /nfs/dbraw/zinc/21/63/99/608216399.db2.gz PAMKTAJQNSWIIK-UHFFFAOYSA-N -1 3 377.372 0.503 20 0 GCADHM Cn1nnnc1-c1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826367194 608216401 /nfs/dbraw/zinc/21/64/01/608216401.db2.gz PAMKTAJQNSWIIK-UHFFFAOYSA-N -1 3 377.372 0.503 20 0 GCADHM Cc1nnnn1-c1cccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826338352 608219608 /nfs/dbraw/zinc/21/96/08/608219608.db2.gz SREXVOQMMMCOQX-UHFFFAOYSA-N -1 3 377.372 0.596 20 0 GCADHM Cc1nnnn1-c1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826338352 608219610 /nfs/dbraw/zinc/21/96/10/608219610.db2.gz SREXVOQMMMCOQX-UHFFFAOYSA-N -1 3 377.372 0.596 20 0 GCADHM Cc1cnc(CS(=O)(=O)C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826318600 608220482 /nfs/dbraw/zinc/22/04/82/608220482.db2.gz RHLZEGLGQTYTNA-LBPRGKRZSA-N -1 3 395.466 0.986 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCCS(=O)(=O)c1ccccc1 ZINC000826413501 608220648 /nfs/dbraw/zinc/22/06/48/608220648.db2.gz HUNNGSNKGGDDKX-UHFFFAOYSA-N -1 3 387.425 0.264 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCCS(=O)(=O)c1ccccc1 ZINC000826413501 608220650 /nfs/dbraw/zinc/22/06/50/608220650.db2.gz HUNNGSNKGGDDKX-UHFFFAOYSA-N -1 3 387.425 0.264 20 0 GCADHM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824284687 608221119 /nfs/dbraw/zinc/22/11/19/608221119.db2.gz MTIHDTLOPJVXFA-LBPRGKRZSA-N -1 3 390.473 0.442 20 0 GCADHM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824284687 608221121 /nfs/dbraw/zinc/22/11/21/608221121.db2.gz MTIHDTLOPJVXFA-LBPRGKRZSA-N -1 3 390.473 0.442 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824094373 608221240 /nfs/dbraw/zinc/22/12/40/608221240.db2.gz SACCXSYRIJRXAZ-LLVKDONJSA-N -1 3 390.473 0.490 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824094373 608221242 /nfs/dbraw/zinc/22/12/42/608221242.db2.gz SACCXSYRIJRXAZ-LLVKDONJSA-N -1 3 390.473 0.490 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000826478635 608221276 /nfs/dbraw/zinc/22/12/76/608221276.db2.gz HDCWTGHXRSKUQL-OAHLLOKOSA-N -1 3 392.423 0.763 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000826478635 608221278 /nfs/dbraw/zinc/22/12/78/608221278.db2.gz HDCWTGHXRSKUQL-OAHLLOKOSA-N -1 3 392.423 0.763 20 0 GCADHM CC(C)(C)OC(=O)NCCCNC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824114108 608222250 /nfs/dbraw/zinc/22/22/50/608222250.db2.gz IYAKQXPXOMUBFW-UHFFFAOYSA-N -1 3 376.421 0.705 20 0 GCADHM CC(C)(C)OC(=O)NCCCNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824114108 608222252 /nfs/dbraw/zinc/22/22/52/608222252.db2.gz IYAKQXPXOMUBFW-UHFFFAOYSA-N -1 3 376.421 0.705 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826073480 608224997 /nfs/dbraw/zinc/22/49/97/608224997.db2.gz UIGGJYATKGCCBN-UHFFFAOYSA-N -1 3 380.412 0.392 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826073480 608224999 /nfs/dbraw/zinc/22/49/99/608224999.db2.gz UIGGJYATKGCCBN-UHFFFAOYSA-N -1 3 380.412 0.392 20 0 GCADHM C[C@H](O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824679703 608233373 /nfs/dbraw/zinc/23/33/73/608233373.db2.gz VGZZIUUAEIBOHY-VIFPVBQESA-N -1 3 381.234 0.659 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825247069 608239509 /nfs/dbraw/zinc/23/95/09/608239509.db2.gz AAFLRWPVLLRRLV-LLVKDONJSA-N -1 3 384.849 0.809 20 0 GCADHM CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)[C@@H](O)C(F)(F)F ZINC000825148746 608239532 /nfs/dbraw/zinc/23/95/32/608239532.db2.gz SXAHCARVMXPCKH-WCBMZHEXSA-N -1 3 383.327 0.986 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826060963 608240477 /nfs/dbraw/zinc/24/04/77/608240477.db2.gz XIVGAJHOXXUZBQ-PWSUYJOCSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826060963 608240479 /nfs/dbraw/zinc/24/04/79/608240479.db2.gz XIVGAJHOXXUZBQ-PWSUYJOCSA-N -1 3 384.849 0.713 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826060965 608241087 /nfs/dbraw/zinc/24/10/87/608241087.db2.gz XIXPQFIRAYCZQT-GXTWGEPZSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826060965 608241089 /nfs/dbraw/zinc/24/10/89/608241089.db2.gz XIXPQFIRAYCZQT-GXTWGEPZSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826060519 608241224 /nfs/dbraw/zinc/24/12/24/608241224.db2.gz NTFDOXGFAWHIDU-KBPBESRZSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826060519 608241226 /nfs/dbraw/zinc/24/12/26/608241226.db2.gz NTFDOXGFAWHIDU-KBPBESRZSA-N -1 3 399.459 0.008 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000826459050 608243725 /nfs/dbraw/zinc/24/37/25/608243725.db2.gz SJTVGICIJLYGMX-UHFFFAOYSA-N -1 3 378.327 0.621 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000826459050 608243726 /nfs/dbraw/zinc/24/37/26/608243726.db2.gz SJTVGICIJLYGMX-UHFFFAOYSA-N -1 3 378.327 0.621 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)[C@H](O)C(F)(F)F ZINC000825133014 608244621 /nfs/dbraw/zinc/24/46/21/608244621.db2.gz HEGJCTKSKNQZSL-SCZZXKLOSA-N -1 3 390.297 0.762 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)[C@H](O)C(F)(F)F ZINC000825133014 608244623 /nfs/dbraw/zinc/24/46/23/608244623.db2.gz HEGJCTKSKNQZSL-SCZZXKLOSA-N -1 3 390.297 0.762 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H](O)C(F)(F)F ZINC000825133991 608244902 /nfs/dbraw/zinc/24/49/02/608244902.db2.gz QZQBPXQIRWQGME-WCBMZHEXSA-N -1 3 390.297 0.762 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H](O)C(F)(F)F ZINC000825133991 608244904 /nfs/dbraw/zinc/24/49/04/608244904.db2.gz QZQBPXQIRWQGME-WCBMZHEXSA-N -1 3 390.297 0.762 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826050685 608245534 /nfs/dbraw/zinc/24/55/34/608245534.db2.gz ASOOBDWJNFHNJQ-ZYHUDNBSSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826050685 608245536 /nfs/dbraw/zinc/24/55/36/608245536.db2.gz ASOOBDWJNFHNJQ-ZYHUDNBSSA-N -1 3 391.819 0.490 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826453243 608247750 /nfs/dbraw/zinc/24/77/50/608247750.db2.gz CCFBCOSDCRHPNW-JTQLQIEISA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826453243 608247752 /nfs/dbraw/zinc/24/77/52/608247752.db2.gz CCFBCOSDCRHPNW-JTQLQIEISA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826450881 608247860 /nfs/dbraw/zinc/24/78/60/608247860.db2.gz HQOIAQIRKRUUCX-JTQLQIEISA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCN2C(=O)CC[C@H]2C1 ZINC000826450881 608247861 /nfs/dbraw/zinc/24/78/61/608247861.db2.gz HQOIAQIRKRUUCX-JTQLQIEISA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826453079 608248010 /nfs/dbraw/zinc/24/80/10/608248010.db2.gz UUKKMSZEBMHQBL-SNVBAGLBSA-N -1 3 389.803 0.292 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC000826453079 608248012 /nfs/dbraw/zinc/24/80/12/608248012.db2.gz UUKKMSZEBMHQBL-SNVBAGLBSA-N -1 3 389.803 0.292 20 0 GCADHM C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824052925 608250160 /nfs/dbraw/zinc/25/01/60/608250160.db2.gz SPAURZBRQOHOGT-LURJTMIESA-N -1 3 378.336 0.380 20 0 GCADHM C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824052925 608250161 /nfs/dbraw/zinc/25/01/61/608250161.db2.gz SPAURZBRQOHOGT-LURJTMIESA-N -1 3 378.336 0.380 20 0 GCADHM C[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824051821 608250200 /nfs/dbraw/zinc/25/02/00/608250200.db2.gz FWQLXIWTDXXOBX-LURJTMIESA-N -1 3 389.235 0.124 20 0 GCADHM C[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824051821 608250202 /nfs/dbraw/zinc/25/02/02/608250202.db2.gz FWQLXIWTDXXOBX-LURJTMIESA-N -1 3 389.235 0.124 20 0 GCADHM CC[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@H](O)C(F)(F)F ZINC000825134598 608253690 /nfs/dbraw/zinc/25/36/90/608253690.db2.gz VIZJZDOXFWYQDI-ZJUUUORDSA-N -1 3 388.354 0.675 20 0 GCADHM CC[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@H](O)C(F)(F)F ZINC000825134598 608253691 /nfs/dbraw/zinc/25/36/91/608253691.db2.gz VIZJZDOXFWYQDI-ZJUUUORDSA-N -1 3 388.354 0.675 20 0 GCADHM COC[C@H](O)CCNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826151438 608253988 /nfs/dbraw/zinc/25/39/88/608253988.db2.gz AVVGWDFEHMMDKC-CYBMUJFWSA-N -1 3 380.474 0.797 20 0 GCADHM COC[C@H](O)CCNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826151438 608253990 /nfs/dbraw/zinc/25/39/90/608253990.db2.gz AVVGWDFEHMMDKC-CYBMUJFWSA-N -1 3 380.474 0.797 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCSC1 ZINC000825897522 608254207 /nfs/dbraw/zinc/25/42/07/608254207.db2.gz ILMVMDZRMZUEGR-ZDUSSCGKSA-N -1 3 376.442 0.786 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCSC1 ZINC000825897522 608254208 /nfs/dbraw/zinc/25/42/08/608254208.db2.gz ILMVMDZRMZUEGR-ZDUSSCGKSA-N -1 3 376.442 0.786 20 0 GCADHM O=C(CN1CCN(c2ncccc2-c2nnn[n-]2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000826411413 608254337 /nfs/dbraw/zinc/25/43/37/608254337.db2.gz XGCSTKNKQYCQSN-MRXNPFEDSA-N -1 3 398.471 0.021 20 0 GCADHM O=C(CN1CCN(c2ncccc2-c2nn[n-]n2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000826411413 608254339 /nfs/dbraw/zinc/25/43/39/608254339.db2.gz XGCSTKNKQYCQSN-MRXNPFEDSA-N -1 3 398.471 0.021 20 0 GCADHM O=C(CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)N1CCOC[C@@H]1C1CC1 ZINC000826410956 608256700 /nfs/dbraw/zinc/25/67/00/608256700.db2.gz FQQNKFPUNCXGFZ-QZTJIDSGSA-N -1 3 398.467 0.877 20 0 GCADHM O=C(CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)N1CCOC[C@@H]1C1CC1 ZINC000826410956 608256701 /nfs/dbraw/zinc/25/67/01/608256701.db2.gz FQQNKFPUNCXGFZ-QZTJIDSGSA-N -1 3 398.467 0.877 20 0 GCADHM Cn1nnnc1CCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826367206 608257735 /nfs/dbraw/zinc/25/77/35/608257735.db2.gz PNHQUJQUMUAUPO-UHFFFAOYSA-N -1 3 380.416 0.432 20 0 GCADHM Cn1nnnc1CCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826367206 608257737 /nfs/dbraw/zinc/25/77/37/608257737.db2.gz PNHQUJQUMUAUPO-UHFFFAOYSA-N -1 3 380.416 0.432 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825248614 608257866 /nfs/dbraw/zinc/25/78/66/608257866.db2.gz XCRXCCFLOYAHFB-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825248614 608257867 /nfs/dbraw/zinc/25/78/67/608257867.db2.gz XCRXCCFLOYAHFB-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM Cn1nnnc1CCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826366986 608258914 /nfs/dbraw/zinc/25/89/14/608258914.db2.gz GSSPICDDKSLKMP-UHFFFAOYSA-N -1 3 392.383 0.550 20 0 GCADHM Cn1nnnc1CCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826366986 608258916 /nfs/dbraw/zinc/25/89/16/608258916.db2.gz GSSPICDDKSLKMP-UHFFFAOYSA-N -1 3 392.383 0.550 20 0 GCADHM Cc1sc(NC(=O)CN2CCN3C(=O)CC[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826349834 608259408 /nfs/dbraw/zinc/25/94/08/608259408.db2.gz WHEMKRRJSXFNSV-LLVKDONJSA-N -1 3 375.458 0.790 20 0 GCADHM Cc1sc(NC(=O)CN2CCN3C(=O)CC[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826349834 608259409 /nfs/dbraw/zinc/25/94/09/608259409.db2.gz WHEMKRRJSXFNSV-LLVKDONJSA-N -1 3 375.458 0.790 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(C)[C@H](C)C(N)=O ZINC000826157019 608269474 /nfs/dbraw/zinc/26/94/74/608269474.db2.gz FBVBAGMTRGUCMF-GFCCVEGCSA-N -1 3 392.464 0.066 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN(C)[C@H](C)C(N)=O ZINC000826157019 608269476 /nfs/dbraw/zinc/26/94/76/608269476.db2.gz FBVBAGMTRGUCMF-GFCCVEGCSA-N -1 3 392.464 0.066 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826333588 608271122 /nfs/dbraw/zinc/27/11/22/608271122.db2.gz NPVSGHBAGSHCAF-UHFFFAOYSA-N -1 3 382.432 0.966 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826333588 608271125 /nfs/dbraw/zinc/27/11/25/608271125.db2.gz NPVSGHBAGSHCAF-UHFFFAOYSA-N -1 3 382.432 0.966 20 0 GCADHM C[C@@H](C(N)=O)N(C)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824052525 608271609 /nfs/dbraw/zinc/27/16/09/608271609.db2.gz OVJGTWJZLJBLMX-PKSQDBQZSA-N -1 3 388.432 0.467 20 0 GCADHM C[C@@H](C(N)=O)N(C)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824052525 608271611 /nfs/dbraw/zinc/27/16/11/608271611.db2.gz OVJGTWJZLJBLMX-PKSQDBQZSA-N -1 3 388.432 0.467 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCc3ncnc(N4CCOCC4)c3C2)n1 ZINC000826274698 608279879 /nfs/dbraw/zinc/27/98/79/608279879.db2.gz BAYUYYGDGQENEI-UHFFFAOYSA-N -1 3 379.428 0.759 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCc3ncnc(N4CCOCC4)c3C2)n1 ZINC000826274698 608279880 /nfs/dbraw/zinc/27/98/80/608279880.db2.gz BAYUYYGDGQENEI-UHFFFAOYSA-N -1 3 379.428 0.759 20 0 GCADHM CN1C(=O)NC2(CCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1=O ZINC000826017214 608282814 /nfs/dbraw/zinc/28/28/14/608282814.db2.gz INYWSNDVVGMHDF-UHFFFAOYSA-N -1 3 388.363 0.554 20 0 GCADHM CN1C(=O)NC2(CCN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)C1=O ZINC000826017214 608282815 /nfs/dbraw/zinc/28/28/15/608282815.db2.gz INYWSNDVVGMHDF-UHFFFAOYSA-N -1 3 388.363 0.554 20 0 GCADHM Cc1c(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cnn1C1CCOCC1 ZINC000826234444 608282870 /nfs/dbraw/zinc/28/28/70/608282870.db2.gz XAFASQQFUIGVPT-UHFFFAOYSA-N -1 3 397.443 0.960 20 0 GCADHM Cc1c(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cnn1C1CCOCC1 ZINC000826234444 608282871 /nfs/dbraw/zinc/28/28/71/608282871.db2.gz XAFASQQFUIGVPT-UHFFFAOYSA-N -1 3 397.443 0.960 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 ZINC000826274710 608292252 /nfs/dbraw/zinc/29/22/52/608292252.db2.gz BMZUGZRUFRSLBY-UHFFFAOYSA-N -1 3 390.429 0.210 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 ZINC000826274710 608292254 /nfs/dbraw/zinc/29/22/54/608292254.db2.gz BMZUGZRUFRSLBY-UHFFFAOYSA-N -1 3 390.429 0.210 20 0 GCADHM Nc1nsc(N2CCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)CC2)n1 ZINC000826396974 608295625 /nfs/dbraw/zinc/29/56/25/608295625.db2.gz QCJCEYHLISUYBW-UHFFFAOYSA-N -1 3 384.473 0.901 20 0 GCADHM Nc1nsc(N2CCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)CC2)n1 ZINC000826396974 608295628 /nfs/dbraw/zinc/29/56/28/608295628.db2.gz QCJCEYHLISUYBW-UHFFFAOYSA-N -1 3 384.473 0.901 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)n1 ZINC000826274764 608298617 /nfs/dbraw/zinc/29/86/17/608298617.db2.gz DGUPGOUEXDFLSQ-LBPRGKRZSA-N -1 3 377.416 0.723 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)n1 ZINC000826274764 608298618 /nfs/dbraw/zinc/29/86/18/608298618.db2.gz DGUPGOUEXDFLSQ-LBPRGKRZSA-N -1 3 377.416 0.723 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN([C@@H]3CCOC3)CC2)c1-c1nnn[n-]1 ZINC000826301700 608302499 /nfs/dbraw/zinc/30/24/99/608302499.db2.gz MXSZWAKORWPGLV-CYBMUJFWSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN([C@@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC000826301700 608302501 /nfs/dbraw/zinc/30/25/01/608302501.db2.gz MXSZWAKORWPGLV-CYBMUJFWSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN([C@H]3CCOC3)CC2)c1-c1nnn[n-]1 ZINC000826301701 608302645 /nfs/dbraw/zinc/30/26/45/608302645.db2.gz MXSZWAKORWPGLV-ZDUSSCGKSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN([C@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC000826301701 608302647 /nfs/dbraw/zinc/30/26/47/608302647.db2.gz MXSZWAKORWPGLV-ZDUSSCGKSA-N -1 3 378.458 0.270 20 0 GCADHM COCCN(CC(=O)OC)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000826157924 608311569 /nfs/dbraw/zinc/31/15/69/608311569.db2.gz ROEYRTCWVOAJOJ-UHFFFAOYSA-N -1 3 385.428 0.982 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCCS(=O)(=O)CC2)c1-c1nnn[n-]1 ZINC000826332264 608314682 /nfs/dbraw/zinc/31/46/82/608314682.db2.gz OWTFXCMLZYHXDX-UHFFFAOYSA-N -1 3 387.469 0.981 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCS(=O)(=O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826332329 608315358 /nfs/dbraw/zinc/31/53/58/608315358.db2.gz QKNKXLLVRBGBHI-LBPRGKRZSA-N -1 3 387.469 0.980 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCN3C(=O)NC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826332616 608315755 /nfs/dbraw/zinc/31/57/55/608315755.db2.gz ZPDWBDATTLTGAG-CQSZACIVSA-N -1 3 379.428 0.570 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CCN3C(=O)NC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826332616 608315757 /nfs/dbraw/zinc/31/57/57/608315757.db2.gz ZPDWBDATTLTGAG-CQSZACIVSA-N -1 3 379.428 0.570 20 0 GCADHM C[C@@]1(O)CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000824836997 608316467 /nfs/dbraw/zinc/31/64/67/608316467.db2.gz DOAIBVHSBOCZQI-MRXNPFEDSA-N -1 3 396.354 0.780 20 0 GCADHM C[C@@]1(O)CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000824836997 608316469 /nfs/dbraw/zinc/31/64/69/608316469.db2.gz DOAIBVHSBOCZQI-MRXNPFEDSA-N -1 3 396.354 0.780 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2C[C@H]3OCCN(C)[C@H]3C2)c1-c1nnn[n-]1 ZINC000826332003 608316848 /nfs/dbraw/zinc/31/68/48/608316848.db2.gz GVILRFCVQIFEJJ-DOTOQJQBSA-N -1 3 380.456 0.876 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2C[C@H]3OCCN(C)[C@H]3C2)c1-c1nn[n-]n1 ZINC000826332003 608316849 /nfs/dbraw/zinc/31/68/49/608316849.db2.gz GVILRFCVQIFEJJ-DOTOQJQBSA-N -1 3 380.456 0.876 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2C[C@H]3OCCN(C)[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826332004 608316899 /nfs/dbraw/zinc/31/68/99/608316899.db2.gz GVILRFCVQIFEJJ-NVXWUHKLSA-N -1 3 380.456 0.876 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2C[C@H]3OCCN(C)[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826332004 608316901 /nfs/dbraw/zinc/31/69/01/608316901.db2.gz GVILRFCVQIFEJJ-NVXWUHKLSA-N -1 3 380.456 0.876 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826455822 608317374 /nfs/dbraw/zinc/31/73/74/608317374.db2.gz GADPTIAOTBLICD-UHFFFAOYSA-N -1 3 379.371 0.605 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826455822 608317376 /nfs/dbraw/zinc/31/73/76/608317376.db2.gz GADPTIAOTBLICD-UHFFFAOYSA-N -1 3 379.371 0.605 20 0 GCADHM O=C(CN1CCN(Cc2cccnc2)CC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826411078 608319154 /nfs/dbraw/zinc/31/91/54/608319154.db2.gz KEHNUNHQJGAIRH-UHFFFAOYSA-N -1 3 392.467 0.696 20 0 GCADHM O=C(CN1CCN(Cc2cccnc2)CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826411078 608319155 /nfs/dbraw/zinc/31/91/55/608319155.db2.gz KEHNUNHQJGAIRH-UHFFFAOYSA-N -1 3 392.467 0.696 20 0 GCADHM O=S(=O)(CCN1CCN([C@@H]2CCOC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484544 608319413 /nfs/dbraw/zinc/31/94/13/608319413.db2.gz HEKWQSVACRARKD-OAHLLOKOSA-N -1 3 392.485 0.047 20 0 GCADHM O=S(=O)(CCN1CCN([C@@H]2CCOC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484544 608319415 /nfs/dbraw/zinc/31/94/15/608319415.db2.gz HEKWQSVACRARKD-OAHLLOKOSA-N -1 3 392.485 0.047 20 0 GCADHM O=C(CN1CCNC(=O)c2ccccc21)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826411214 608322354 /nfs/dbraw/zinc/32/23/54/608322354.db2.gz PALCOMDPCAEWOP-UHFFFAOYSA-N -1 3 377.408 0.733 20 0 GCADHM O=C(CN1CCNC(=O)c2ccccc21)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826411214 608322356 /nfs/dbraw/zinc/32/23/56/608322356.db2.gz PALCOMDPCAEWOP-UHFFFAOYSA-N -1 3 377.408 0.733 20 0 GCADHM NC(=O)[C@@H]1CSCCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826391028 608322387 /nfs/dbraw/zinc/32/23/87/608322387.db2.gz UPNHAODBUYYYSY-NSHDSACASA-N -1 3 381.849 0.361 20 0 GCADHM NC(=O)[C@@H]1CSCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826391028 608322388 /nfs/dbraw/zinc/32/23/88/608322388.db2.gz UPNHAODBUYYYSY-NSHDSACASA-N -1 3 381.849 0.361 20 0 GCADHM NC(=O)CN(C1CCCC1)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826391450 608328952 /nfs/dbraw/zinc/32/89/52/608328952.db2.gz LQVVSBZVXUYRDJ-UHFFFAOYSA-N -1 3 382.421 0.566 20 0 GCADHM NC(=O)CN(C1CCCC1)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826391450 608328954 /nfs/dbraw/zinc/32/89/54/608328954.db2.gz LQVVSBZVXUYRDJ-UHFFFAOYSA-N -1 3 382.421 0.566 20 0 GCADHM CCCn1cc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)nn1 ZINC000825357055 608330095 /nfs/dbraw/zinc/33/00/95/608330095.db2.gz WNTLATWWEVKERB-UHFFFAOYSA-N -1 3 385.407 0.970 20 0 GCADHM CCCn1cc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)nn1 ZINC000825357055 608330098 /nfs/dbraw/zinc/33/00/98/608330098.db2.gz WNTLATWWEVKERB-UHFFFAOYSA-N -1 3 385.407 0.970 20 0 GCADHM NC(=O)Cc1cccc(OS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000826391759 608330676 /nfs/dbraw/zinc/33/06/76/608330676.db2.gz AQPXIHVHTGZRRD-UHFFFAOYSA-N -1 3 391.384 0.942 20 0 GCADHM NC(=O)Cc1cccc(OS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000826391759 608330677 /nfs/dbraw/zinc/33/06/77/608330677.db2.gz AQPXIHVHTGZRRD-UHFFFAOYSA-N -1 3 391.384 0.942 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824449703 608332942 /nfs/dbraw/zinc/33/29/42/608332942.db2.gz OUCZXGZOEJXSAM-SECBINFHSA-N -1 3 391.450 0.201 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824449703 608332944 /nfs/dbraw/zinc/33/29/44/608332944.db2.gz OUCZXGZOEJXSAM-SECBINFHSA-N -1 3 391.450 0.201 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826390024 608333550 /nfs/dbraw/zinc/33/35/50/608333550.db2.gz OEBRLOUEQIUXOE-CABZTGNLSA-N -1 3 382.421 0.469 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826390024 608333552 /nfs/dbraw/zinc/33/35/52/608333552.db2.gz OEBRLOUEQIUXOE-CABZTGNLSA-N -1 3 382.421 0.469 20 0 GCADHM CSC[C@@](C)(O)CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826227526 608334686 /nfs/dbraw/zinc/33/46/86/608334686.db2.gz SLXVPZHKRYBFFV-ZDUSSCGKSA-N -1 3 375.451 0.539 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NC[C@H](O)C1CCOCC1 ZINC000826486176 608335206 /nfs/dbraw/zinc/33/52/06/608335206.db2.gz RRMGUJYIOFFTAH-AWEZNQCLSA-N -1 3 385.421 0.213 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000826485507 608336820 /nfs/dbraw/zinc/33/68/20/608336820.db2.gz SXYZXUGHZADNNN-AWEZNQCLSA-N -1 3 396.448 0.242 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000826485507 608336822 /nfs/dbraw/zinc/33/68/22/608336822.db2.gz SXYZXUGHZADNNN-AWEZNQCLSA-N -1 3 396.448 0.242 20 0 GCADHM CC(C)(C)N1C[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1=O ZINC000824092888 608336967 /nfs/dbraw/zinc/33/69/67/608336967.db2.gz BIQVYCSZEXUGOB-GFCCVEGCSA-N -1 3 396.448 0.825 20 0 GCADHM CCc1nn(C)cc1NC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825762890 608337162 /nfs/dbraw/zinc/33/71/62/608337162.db2.gz KELYQUBBRMGYDX-UHFFFAOYSA-N -1 3 389.441 0.716 20 0 GCADHM CCc1nn(C)cc1NC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825762890 608337164 /nfs/dbraw/zinc/33/71/64/608337164.db2.gz KELYQUBBRMGYDX-UHFFFAOYSA-N -1 3 389.441 0.716 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CCN1C1CC1 ZINC000826481032 608338132 /nfs/dbraw/zinc/33/81/32/608338132.db2.gz CQQMZEDIAWGTOD-UHFFFAOYSA-N -1 3 380.405 0.142 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCN1C1CC1 ZINC000826481032 608338133 /nfs/dbraw/zinc/33/81/33/608338133.db2.gz CQQMZEDIAWGTOD-UHFFFAOYSA-N -1 3 380.405 0.142 20 0 GCADHM Cn1cnc2c1CCN(S(=O)(=O)Cc1cc(-c3nnn[n-]3)ccc1F)C2 ZINC000826364589 608338221 /nfs/dbraw/zinc/33/82/21/608338221.db2.gz BSTQFACYKOJRET-UHFFFAOYSA-N -1 3 377.405 0.627 20 0 GCADHM Cn1cnc2c1CCN(S(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)C2 ZINC000826364589 608338224 /nfs/dbraw/zinc/33/82/24/608338224.db2.gz BSTQFACYKOJRET-UHFFFAOYSA-N -1 3 377.405 0.627 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CC(OCC(F)F)C1 ZINC000826485280 608338592 /nfs/dbraw/zinc/33/85/92/608338592.db2.gz JHEFXVQIZQGUQO-UHFFFAOYSA-N -1 3 377.348 0.802 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CC(OCC(F)F)C1 ZINC000826485280 608338594 /nfs/dbraw/zinc/33/85/94/608338594.db2.gz JHEFXVQIZQGUQO-UHFFFAOYSA-N -1 3 377.348 0.802 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826389661 608339558 /nfs/dbraw/zinc/33/95/58/608339558.db2.gz DUKBJCLMJJOKHT-JSGCOSHPSA-N -1 3 396.448 0.859 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826389661 608339560 /nfs/dbraw/zinc/33/95/60/608339560.db2.gz DUKBJCLMJJOKHT-JSGCOSHPSA-N -1 3 396.448 0.859 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@H](C)C1 ZINC000823975135 608340344 /nfs/dbraw/zinc/34/03/44/608340344.db2.gz VBTZSYZLBFBKPM-BMIGLBTASA-N -1 3 396.448 0.682 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@H](C)C1 ZINC000823975135 608340345 /nfs/dbraw/zinc/34/03/45/608340345.db2.gz VBTZSYZLBFBKPM-BMIGLBTASA-N -1 3 396.448 0.682 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825247693 608341885 /nfs/dbraw/zinc/34/18/85/608341885.db2.gz GDMBPXQPSVRDRA-CYBMUJFWSA-N -1 3 382.421 0.436 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825247693 608341887 /nfs/dbraw/zinc/34/18/87/608341887.db2.gz GDMBPXQPSVRDRA-CYBMUJFWSA-N -1 3 382.421 0.436 20 0 GCADHM O=C1CC[C@H]2CN(S(=O)(=O)Cc3cc(-c4nnn[n-]4)ccc3F)CCN12 ZINC000826480157 608343469 /nfs/dbraw/zinc/34/34/69/608343469.db2.gz SDLKNSMEDWJFIL-LBPRGKRZSA-N -1 3 380.405 0.142 20 0 GCADHM O=C1CC[C@H]2CN(S(=O)(=O)Cc3cc(-c4nn[n-]n4)ccc3F)CCN12 ZINC000826480157 608343470 /nfs/dbraw/zinc/34/34/70/608343470.db2.gz SDLKNSMEDWJFIL-LBPRGKRZSA-N -1 3 380.405 0.142 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2OC)C1=O ZINC000825164598 608343991 /nfs/dbraw/zinc/34/39/91/608343991.db2.gz DRENXBPESGCAPY-QGZVFWFLSA-N -1 3 388.384 0.639 20 0 GCADHM CC[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2OC)C1=O ZINC000825164598 608343993 /nfs/dbraw/zinc/34/39/93/608343993.db2.gz DRENXBPESGCAPY-QGZVFWFLSA-N -1 3 388.384 0.639 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](CO)NC(=O)c1ccccc1 ZINC000826170806 608349482 /nfs/dbraw/zinc/34/94/82/608349482.db2.gz PVXPRPFPUYROPB-HNNXBMFYSA-N -1 3 397.391 0.709 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](CO)NC(=O)c1ccccc1 ZINC000826170806 608349483 /nfs/dbraw/zinc/34/94/83/608349483.db2.gz PVXPRPFPUYROPB-HNNXBMFYSA-N -1 3 397.391 0.709 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000826172146 608351057 /nfs/dbraw/zinc/35/10/57/608351057.db2.gz PEXGURMLHKOBNA-UHFFFAOYSA-N -1 3 397.391 0.983 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000826172146 608351059 /nfs/dbraw/zinc/35/10/59/608351059.db2.gz PEXGURMLHKOBNA-UHFFFAOYSA-N -1 3 397.391 0.983 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCN(C3CC3)CC2)n1 ZINC000824141485 608351244 /nfs/dbraw/zinc/35/12/44/608351244.db2.gz HYOCOJFSMUGJMD-UHFFFAOYSA-N -1 3 387.448 0.063 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1-c1nnn[n-]1 ZINC000826298812 608360050 /nfs/dbraw/zinc/36/00/50/608360050.db2.gz HTHSAVSMIXCZHN-HUUCEWRRSA-N -1 3 399.455 0.171 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c1-c1nn[n-]n1 ZINC000826298812 608360052 /nfs/dbraw/zinc/36/00/52/608360052.db2.gz HTHSAVSMIXCZHN-HUUCEWRRSA-N -1 3 399.455 0.171 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1-c1nnn[n-]1 ZINC000826298813 608360247 /nfs/dbraw/zinc/36/02/47/608360247.db2.gz HTHSAVSMIXCZHN-LSDHHAIUSA-N -1 3 399.455 0.171 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c1-c1nn[n-]n1 ZINC000826298813 608360249 /nfs/dbraw/zinc/36/02/49/608360249.db2.gz HTHSAVSMIXCZHN-LSDHHAIUSA-N -1 3 399.455 0.171 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cccc1-c1nn[n-]n1 ZINC000826240572 608360261 /nfs/dbraw/zinc/36/02/61/608360261.db2.gz AGDOSFHWQKMPTE-JKSUJKDBSA-N -1 3 399.455 0.171 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826277360 608360364 /nfs/dbraw/zinc/36/03/64/608360364.db2.gz RTODZOKKRQKIJK-HOTGVXAUSA-N -1 3 399.455 0.171 20 0 GCADHM O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)C(=O)N1CC[C@H](O)C1 ZINC000826455278 608360752 /nfs/dbraw/zinc/36/07/52/608360752.db2.gz HMOADSJFTOBCCD-ZDUSSCGKSA-N -1 3 395.379 0.586 20 0 GCADHM O=C(Nc1ccccc1Oc1ncccc1-c1nnn[n-]1)C(=O)N1CC[C@H](O)C1 ZINC000826457904 608360806 /nfs/dbraw/zinc/36/08/06/608360806.db2.gz VJLYMBAPRPVAHW-NSHDSACASA-N -1 3 395.379 0.586 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C[C@H]1O ZINC000824967028 608361199 /nfs/dbraw/zinc/36/11/99/608361199.db2.gz GQEDZADCMCHBFV-OIBJUYFYSA-N -1 3 382.327 0.246 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C[C@H]1O ZINC000824967028 608361201 /nfs/dbraw/zinc/36/12/01/608361201.db2.gz GQEDZADCMCHBFV-OIBJUYFYSA-N -1 3 382.327 0.246 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1COC(C)(C)O1 ZINC000826185899 608361771 /nfs/dbraw/zinc/36/17/71/608361771.db2.gz XMWLOWPVKRYWIV-JTQLQIEISA-N -1 3 376.373 0.082 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1COC(C)(C)O1 ZINC000826185899 608361772 /nfs/dbraw/zinc/36/17/72/608361772.db2.gz XMWLOWPVKRYWIV-JTQLQIEISA-N -1 3 376.373 0.082 20 0 GCADHM CC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC000823975149 608361886 /nfs/dbraw/zinc/36/18/86/608361886.db2.gz VCJIXANZPBYHCP-AAEUAGOBSA-N -1 3 385.428 0.487 20 0 GCADHM CC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)[C@@H](C)C1 ZINC000823975149 608361888 /nfs/dbraw/zinc/36/18/88/608361888.db2.gz VCJIXANZPBYHCP-AAEUAGOBSA-N -1 3 385.428 0.487 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H]1COC(C)(C)O1 ZINC000826185900 608361897 /nfs/dbraw/zinc/36/18/97/608361897.db2.gz XMWLOWPVKRYWIV-SNVBAGLBSA-N -1 3 376.373 0.082 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1COC(C)(C)O1 ZINC000826185900 608361899 /nfs/dbraw/zinc/36/18/99/608361899.db2.gz XMWLOWPVKRYWIV-SNVBAGLBSA-N -1 3 376.373 0.082 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O ZINC000826171708 608361980 /nfs/dbraw/zinc/36/19/80/608361980.db2.gz VVQPZPNOWREOBT-YMTOWFKASA-N -1 3 375.385 0.194 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O ZINC000826171708 608361982 /nfs/dbraw/zinc/36/19/82/608361982.db2.gz VVQPZPNOWREOBT-YMTOWFKASA-N -1 3 375.385 0.194 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)C[C@@H]1O ZINC000825200381 608362679 /nfs/dbraw/zinc/36/26/79/608362679.db2.gz AXIJFDUVTRADTC-RISCZKNCSA-N -1 3 388.428 0.822 20 0 GCADHM CC[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)C[C@@H]1O ZINC000825200381 608362681 /nfs/dbraw/zinc/36/26/81/608362681.db2.gz AXIJFDUVTRADTC-RISCZKNCSA-N -1 3 388.428 0.822 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826298910 608362935 /nfs/dbraw/zinc/36/29/35/608362935.db2.gz KPFWJHSCVKMSNF-DZGCQCFKSA-N -1 3 399.455 0.293 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826298910 608362937 /nfs/dbraw/zinc/36/29/37/608362937.db2.gz KPFWJHSCVKMSNF-DZGCQCFKSA-N -1 3 399.455 0.293 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000826276966 608362984 /nfs/dbraw/zinc/36/29/84/608362984.db2.gz DWVFYFNOLRODEA-CZUORRHYSA-N -1 3 399.455 0.293 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000826276966 608362986 /nfs/dbraw/zinc/36/29/86/608362986.db2.gz DWVFYFNOLRODEA-CZUORRHYSA-N -1 3 399.455 0.293 20 0 GCADHM NC(=O)C1(CNc2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CCOCC1 ZINC000826389581 608380320 /nfs/dbraw/zinc/38/03/20/608380320.db2.gz BFYZLPOICUROPU-UHFFFAOYSA-N -1 3 389.366 0.809 20 0 GCADHM NC(=O)C1(CNc2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CCOCC1 ZINC000826389581 608380322 /nfs/dbraw/zinc/38/03/22/608380322.db2.gz BFYZLPOICUROPU-UHFFFAOYSA-N -1 3 389.366 0.809 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCN(CC(F)F)CC1 ZINC000826433140 608386226 /nfs/dbraw/zinc/38/62/26/608386226.db2.gz WLIPWHYOWYDBTG-UHFFFAOYSA-N -1 3 393.398 0.396 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCN(CC(F)F)CC1 ZINC000826433140 608386228 /nfs/dbraw/zinc/38/62/28/608386228.db2.gz WLIPWHYOWYDBTG-UHFFFAOYSA-N -1 3 393.398 0.396 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCOC[C@H]1c1ncon1 ZINC000826174688 608386635 /nfs/dbraw/zinc/38/66/35/608386635.db2.gz GCWGIHALEYDGCW-NSHDSACASA-N -1 3 387.356 0.237 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCOC[C@H]1c1ncon1 ZINC000826174688 608386636 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608442638 /nfs/dbraw/zinc/44/26/38/608442638.db2.gz BBNWEEHTHJVFSA-LBPRGKRZSA-N -1 3 387.462 0.635 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCSC[C@@H]1CCO ZINC000826485714 608442639 /nfs/dbraw/zinc/44/26/39/608442639.db2.gz BBNWEEHTHJVFSA-LBPRGKRZSA-N -1 3 387.462 0.635 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826365359 608446482 /nfs/dbraw/zinc/44/64/82/608446482.db2.gz LDIZCDMJJIWUSU-NSHDSACASA-N -1 3 378.393 0.660 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000826233823 608448363 /nfs/dbraw/zinc/44/83/63/608448363.db2.gz XBBLDKIDSRJELN-UHFFFAOYSA-N -1 3 383.343 0.936 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000826233823 608448364 /nfs/dbraw/zinc/44/83/64/608448364.db2.gz XBBLDKIDSRJELN-UHFFFAOYSA-N -1 3 383.343 0.936 20 0 GCADHM C[C@@H](C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)N1CCSCC1 ZINC000824052504 608452652 /nfs/dbraw/zinc/45/26/52/608452652.db2.gz OFYBDNHEHONVJD-LBPRGKRZSA-N -1 3 390.469 0.463 20 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/nfs/dbraw/zinc/45/90/13/608459013.db2.gz YCGHNTHZBJUMHB-OAHLLOKOSA-N -1 3 380.792 0.380 20 0 GCADHM COC(=O)[C@@]1(NCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCOC1 ZINC000826124914 608459015 /nfs/dbraw/zinc/45/90/15/608459015.db2.gz YCGHNTHZBJUMHB-OAHLLOKOSA-N -1 3 380.792 0.380 20 0 GCADHM C[C@@H](NC(=O)CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1)C(=O)N(C)C ZINC000824477921 608461766 /nfs/dbraw/zinc/46/17/66/608461766.db2.gz CWLUDOIZHLHBTL-CYBMUJFWSA-N -1 3 383.456 0.549 20 0 GCADHM C[C@@H](NC(=O)CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1)C(=O)N(C)C ZINC000824477921 608461767 /nfs/dbraw/zinc/46/17/67/608461767.db2.gz CWLUDOIZHLHBTL-CYBMUJFWSA-N -1 3 383.456 0.549 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117294 608463778 /nfs/dbraw/zinc/46/37/78/608463778.db2.gz JMIHPXDXXZHSCG-ZDUSSCGKSA-N -1 3 395.335 0.686 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117294 608463780 /nfs/dbraw/zinc/46/37/80/608463780.db2.gz JMIHPXDXXZHSCG-ZDUSSCGKSA-N -1 3 395.335 0.686 20 0 GCADHM O=C(COC(=O)c1ccc2n[nH]c(=O)n2c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826416216 608467857 /nfs/dbraw/zinc/46/78/57/608467857.db2.gz ODXBGMCCBDPTKQ-UHFFFAOYSA-N -1 3 394.351 0.088 20 0 GCADHM O=C(COC(=O)c1ccc2n[nH]c(=O)n2c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826416216 608467858 /nfs/dbraw/zinc/46/78/58/608467858.db2.gz ODXBGMCCBDPTKQ-UHFFFAOYSA-N -1 3 394.351 0.088 20 0 GCADHM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)O1 ZINC000825841752 608470574 /nfs/dbraw/zinc/47/05/74/608470574.db2.gz ZKAHMYOEBGJNIR-SKDRFNHKSA-N -1 3 380.355 0.511 20 0 GCADHM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)O1 ZINC000825841752 608470576 /nfs/dbraw/zinc/47/05/76/608470576.db2.gz ZKAHMYOEBGJNIR-SKDRFNHKSA-N -1 3 380.355 0.511 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)C1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826432385 608474181 /nfs/dbraw/zinc/47/41/81/608474181.db2.gz ZKJISUJYBSWLTA-HNNXBMFYSA-N -1 3 388.453 0.853 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)C1)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826432385 608474183 /nfs/dbraw/zinc/47/41/83/608474183.db2.gz ZKJISUJYBSWLTA-HNNXBMFYSA-N -1 3 388.453 0.853 20 0 GCADHM COc1ccc2c(c1)OC[C@@H](NC(=O)CNc1ccc(-c3nnn[n-]3)cn1)C2 ZINC000826213013 608476894 /nfs/dbraw/zinc/47/68/94/608476894.db2.gz INJQHQSSXZMDKU-ZDUSSCGKSA-N -1 3 381.396 0.802 20 0 GCADHM COc1ccc2c(c1)OC[C@@H](NC(=O)CNc1ccc(-c3nn[n-]n3)cn1)C2 ZINC000826213013 608476896 /nfs/dbraw/zinc/47/68/96/608476896.db2.gz INJQHQSSXZMDKU-ZDUSSCGKSA-N -1 3 381.396 0.802 20 0 GCADHM CC(C)C(=O)NCCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000824184387 608492769 /nfs/dbraw/zinc/49/27/69/608492769.db2.gz GQHXPYMQFFYEMS-UHFFFAOYSA-N -1 3 393.835 0.689 20 0 GCADHM CC(C)C(=O)NCCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000824184387 608492771 /nfs/dbraw/zinc/49/27/71/608492771.db2.gz GQHXPYMQFFYEMS-UHFFFAOYSA-N -1 3 393.835 0.689 20 0 GCADHM COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)C2 ZINC000826212753 608493453 /nfs/dbraw/zinc/49/34/53/608493453.db2.gz AFBNDKUOAFFOTD-CQSZACIVSA-N -1 3 394.391 0.934 20 0 GCADHM COc1ccc2c(c1)OC[C@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)C2 ZINC000826212753 608493455 /nfs/dbraw/zinc/49/34/55/608493455.db2.gz AFBNDKUOAFFOTD-CQSZACIVSA-N -1 3 394.391 0.934 20 0 GCADHM CC(C)[C@@H](C(=O)Oc1ccc(-c2nnn[n-]2)cc1F)N1CCCS1(=O)=O ZINC000824184009 608494969 /nfs/dbraw/zinc/49/49/69/608494969.db2.gz BGCJRQIVLKYWFP-ZDUSSCGKSA-N -1 3 383.405 0.971 20 0 GCADHM CC(C)[C@@H](C(=O)Oc1ccc(-c2nn[n-]n2)cc1F)N1CCCS1(=O)=O ZINC000824184009 608494970 /nfs/dbraw/zinc/49/49/70/608494970.db2.gz BGCJRQIVLKYWFP-ZDUSSCGKSA-N -1 3 383.405 0.971 20 0 GCADHM Cc1cc(NC(=O)CN2CCN(Cc3cc(-c4nnn[n-]4)cs3)CC2)no1 ZINC000826269776 608508586 /nfs/dbraw/zinc/50/85/86/608508586.db2.gz XAKHLNBTKKBKIC-UHFFFAOYSA-N -1 3 388.457 0.981 20 0 GCADHM Cc1cc(NC(=O)CN2CCN(Cc3cc(-c4nn[n-]n4)cs3)CC2)no1 ZINC000826269776 608508587 /nfs/dbraw/zinc/50/85/87/608508587.db2.gz XAKHLNBTKKBKIC-UHFFFAOYSA-N -1 3 388.457 0.981 20 0 GCADHM CC(C)(F)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824163157 608527951 /nfs/dbraw/zinc/52/79/51/608527951.db2.gz ZTKWKMLNTIBZHI-UHFFFAOYSA-N -1 3 382.421 0.448 20 0 GCADHM CC(C)(F)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824163157 608527952 /nfs/dbraw/zinc/52/79/52/608527952.db2.gz ZTKWKMLNTIBZHI-UHFFFAOYSA-N -1 3 382.421 0.448 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000826394679 608541675 /nfs/dbraw/zinc/54/16/75/608541675.db2.gz UJSMJFQFRDHXCJ-SSDOTTSWSA-N -1 3 377.352 0.538 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000826394679 608541677 /nfs/dbraw/zinc/54/16/77/608541677.db2.gz UJSMJFQFRDHXCJ-SSDOTTSWSA-N -1 3 377.352 0.538 20 0 GCADHM COCCN1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000826159321 608553643 /nfs/dbraw/zinc/55/36/43/608553643.db2.gz BBVOQTWRSBVHNH-UHFFFAOYSA-N -1 3 390.469 0.417 20 0 GCADHM COCCN1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000826159321 608553645 /nfs/dbraw/zinc/55/36/45/608553645.db2.gz BBVOQTWRSBVHNH-UHFFFAOYSA-N -1 3 390.469 0.417 20 0 GCADHM NC(=O)c1ccc(NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC000826393282 608557329 /nfs/dbraw/zinc/55/73/29/608557329.db2.gz LKEGKZBEDCRZTJ-UHFFFAOYSA-N -1 3 381.400 0.953 20 0 GCADHM NC(=O)c1ccc(NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC000826393282 608557331 /nfs/dbraw/zinc/55/73/31/608557331.db2.gz LKEGKZBEDCRZTJ-UHFFFAOYSA-N -1 3 381.400 0.953 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N1CC[C@H](CO)C1 ZINC000826494099 608567312 /nfs/dbraw/zinc/56/73/12/608567312.db2.gz OJBYXHBEKJFDGB-QMMMGPOBSA-N -1 3 377.348 0.888 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N1CC[C@H](CO)C1 ZINC000826494099 608567314 /nfs/dbraw/zinc/56/73/14/608567314.db2.gz OJBYXHBEKJFDGB-QMMMGPOBSA-N -1 3 377.348 0.888 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCSC[C@@H]1CO ZINC000826494703 608567328 /nfs/dbraw/zinc/56/73/28/608567328.db2.gz MINWCUFUXSOENC-QMMMGPOBSA-N -1 3 375.863 0.619 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCSC[C@@H]1CO ZINC000826494703 608567331 /nfs/dbraw/zinc/56/73/31/608567331.db2.gz MINWCUFUXSOENC-QMMMGPOBSA-N -1 3 375.863 0.619 20 0 GCADHM O=S(=O)(NC1(CO)CCC1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826487667 608567547 /nfs/dbraw/zinc/56/75/47/608567547.db2.gz WFSKEKIGBSGYQT-UHFFFAOYSA-N -1 3 388.247 0.823 20 0 GCADHM O=S(=O)(NC1(CO)CCC1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826487667 608567548 /nfs/dbraw/zinc/56/75/48/608567548.db2.gz WFSKEKIGBSGYQT-UHFFFAOYSA-N -1 3 388.247 0.823 20 0 GCADHM CCOCCS(=O)(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000825605260 608568957 /nfs/dbraw/zinc/56/89/57/608568957.db2.gz SMUNSODGJARINR-UHFFFAOYSA-N -1 3 377.430 0.713 20 0 GCADHM CCOCCS(=O)(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000825605260 608568959 /nfs/dbraw/zinc/56/89/59/608568959.db2.gz SMUNSODGJARINR-UHFFFAOYSA-N -1 3 377.430 0.713 20 0 GCADHM CCn1cc(S(=O)(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cn1 ZINC000825805053 608569025 /nfs/dbraw/zinc/56/90/25/608569025.db2.gz PTVVWBBPJOZOTP-UHFFFAOYSA-N -1 3 399.440 0.952 20 0 GCADHM CCN1CCOC[C@H]1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825465774 608569053 /nfs/dbraw/zinc/56/90/53/608569053.db2.gz QOSCSSIYPBZQQW-HNNXBMFYSA-N -1 3 376.486 0.937 20 0 GCADHM CCN1CCOC[C@H]1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825465774 608569055 /nfs/dbraw/zinc/56/90/55/608569055.db2.gz QOSCSSIYPBZQQW-HNNXBMFYSA-N -1 3 376.486 0.937 20 0 GCADHM O=C(NCCC1CCS(=O)(=O)CC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826436126 608572603 /nfs/dbraw/zinc/57/26/03/608572603.db2.gz IRSKPEDJUQECFA-UHFFFAOYSA-N -1 3 378.458 0.881 20 0 GCADHM O=C(NCCC1CCS(=O)(=O)CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826436126 608572605 /nfs/dbraw/zinc/57/26/05/608572605.db2.gz IRSKPEDJUQECFA-UHFFFAOYSA-N -1 3 378.458 0.881 20 0 GCADHM COCCCOCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826156378 608585528 /nfs/dbraw/zinc/58/55/28/608585528.db2.gz AFNRKGUSWZOXHR-UHFFFAOYSA-N -1 3 378.408 0.708 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1C[C@H](O)[C@@H](C)C1 ZINC000826157191 608587363 /nfs/dbraw/zinc/58/73/63/608587363.db2.gz KZCZNHYDRXXJGG-FZMZJTMJSA-N -1 3 391.476 0.573 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN1C[C@H](O)[C@@H](C)C1 ZINC000826157191 608587365 /nfs/dbraw/zinc/58/73/65/608587365.db2.gz KZCZNHYDRXXJGG-FZMZJTMJSA-N -1 3 391.476 0.573 20 0 GCADHM Cn1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c(-c2cccs2)n1 ZINC000826358628 608590791 /nfs/dbraw/zinc/59/07/91/608590791.db2.gz BFSOILJYYSRMGF-UHFFFAOYSA-N -1 3 385.413 0.964 20 0 GCADHM Cn1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c(-c2cccs2)n1 ZINC000826358628 608590792 /nfs/dbraw/zinc/59/07/92/608590792.db2.gz BFSOILJYYSRMGF-UHFFFAOYSA-N -1 3 385.413 0.964 20 0 GCADHM COCCN1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CC1=O ZINC000826159640 608600174 /nfs/dbraw/zinc/60/01/74/608600174.db2.gz MKUQIJPERHEOCU-UHFFFAOYSA-N -1 3 375.389 0.198 20 0 GCADHM COCCN1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CC1=O ZINC000826159640 608600178 /nfs/dbraw/zinc/60/01/78/608600178.db2.gz MKUQIJPERHEOCU-UHFFFAOYSA-N -1 3 375.389 0.198 20 0 GCADHM CN1CCO[C@H](C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000826045079 608603464 /nfs/dbraw/zinc/60/34/64/608603464.db2.gz OOKCXCMAHHERPV-NRXISQOPSA-N -1 3 387.444 0.399 20 0 GCADHM CN1CCO[C@H](C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000826045079 608603466 /nfs/dbraw/zinc/60/34/66/608603466.db2.gz OOKCXCMAHHERPV-NRXISQOPSA-N -1 3 387.444 0.399 20 0 GCADHM C[C@H](C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC000824038896 608605066 /nfs/dbraw/zinc/60/50/66/608605066.db2.gz AGECAIDGLNDZHE-LMWSTFAQSA-N -1 3 383.416 0.921 20 0 GCADHM C[C@H](C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC000824038896 608605069 /nfs/dbraw/zinc/60/50/69/608605069.db2.gz AGECAIDGLNDZHE-LMWSTFAQSA-N -1 3 383.416 0.921 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)N1CC[C@H](CO)C1 ZINC000826429400 608623421 /nfs/dbraw/zinc/62/34/21/608623421.db2.gz BLLQVIRLLGLUNK-GRTSSRMGSA-N -1 3 387.444 0.976 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)N1CC[C@H](CO)C1 ZINC000826429400 608623424 /nfs/dbraw/zinc/62/34/24/608623424.db2.gz BLLQVIRLLGLUNK-GRTSSRMGSA-N -1 3 387.444 0.976 20 0 GCADHM C[C@]1(CCC(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC(=O)N1 ZINC000824819015 608629391 /nfs/dbraw/zinc/62/93/91/608629391.db2.gz WSDCKBPTVQNERO-AUUYWEPGSA-N -1 3 398.423 0.964 20 0 GCADHM C[C@]1(CCC(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC(=O)N1 ZINC000824819015 608629394 /nfs/dbraw/zinc/62/93/94/608629394.db2.gz WSDCKBPTVQNERO-AUUYWEPGSA-N -1 3 398.423 0.964 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825465617 608629413 /nfs/dbraw/zinc/62/94/13/608629413.db2.gz ONHDLVUTZOMOHO-CABCVRRESA-N -1 3 386.412 0.236 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825465617 608629415 /nfs/dbraw/zinc/62/94/15/608629415.db2.gz ONHDLVUTZOMOHO-CABCVRRESA-N -1 3 386.412 0.236 20 0 GCADHM O=C(Cn1cccnc1=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826424415 608640861 /nfs/dbraw/zinc/64/08/61/608640861.db2.gz LLIDVLQREOCFII-UHFFFAOYSA-N -1 3 396.411 0.325 20 0 GCADHM O=C(Cn1cccnc1=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826424415 608640862 /nfs/dbraw/zinc/64/08/62/608640862.db2.gz LLIDVLQREOCFII-UHFFFAOYSA-N -1 3 396.411 0.325 20 0 GCADHM Cc1nnc(CN2CCN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CC2)n1C ZINC000826335409 608646244 /nfs/dbraw/zinc/64/62/44/608646244.db2.gz LRVIEINGXGJRHE-UHFFFAOYSA-N -1 3 393.459 0.269 20 0 GCADHM Cc1nnc(CN2CCN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CC2)n1C ZINC000826335409 608646245 /nfs/dbraw/zinc/64/62/45/608646245.db2.gz LRVIEINGXGJRHE-UHFFFAOYSA-N -1 3 393.459 0.269 20 0 GCADHM CN(C)c1ccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c(C(N)=O)c1 ZINC000825880054 608654076 /nfs/dbraw/zinc/65/40/76/608654076.db2.gz WCQXEFBDSRXDCM-UHFFFAOYSA-N -1 3 381.400 0.477 20 0 GCADHM CN(C)c1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c(C(N)=O)c1 ZINC000825880054 608654079 /nfs/dbraw/zinc/65/40/79/608654079.db2.gz WCQXEFBDSRXDCM-UHFFFAOYSA-N -1 3 381.400 0.477 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000826155894 608677671 /nfs/dbraw/zinc/67/76/71/608677671.db2.gz GYXSCNXCCKOZKX-CYBMUJFWSA-N -1 3 393.517 0.587 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000826155894 608677674 /nfs/dbraw/zinc/67/76/74/608677674.db2.gz GYXSCNXCCKOZKX-CYBMUJFWSA-N -1 3 393.517 0.587 20 0 GCADHM Cc1cnn(C[C@H]2CN(Cc3cnc4ccc(-c5nnn[n-]5)cn34)CCO2)c1 ZINC000826320174 608690535 /nfs/dbraw/zinc/69/05/35/608690535.db2.gz IUNMJBLBRJPWGM-MRXNPFEDSA-N -1 3 379.428 0.920 20 0 GCADHM Cc1cnn(C[C@H]2CN(Cc3cnc4ccc(-c5nn[n-]n5)cn34)CCO2)c1 ZINC000826320174 608690537 /nfs/dbraw/zinc/69/05/37/608690537.db2.gz IUNMJBLBRJPWGM-MRXNPFEDSA-N -1 3 379.428 0.920 20 0 GCADHM COC(=O)C1(O)CCN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CC1 ZINC000826129176 608756546 /nfs/dbraw/zinc/75/65/46/608756546.db2.gz LPJQWWFMYOKMLA-UHFFFAOYSA-N -1 3 391.432 0.955 20 0 GCADHM COC(=O)C1(O)CCN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CC1 ZINC000826129176 608756550 /nfs/dbraw/zinc/75/65/50/608756550.db2.gz LPJQWWFMYOKMLA-UHFFFAOYSA-N -1 3 391.432 0.955 20 0 GCADHM NS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000826395046 608766711 /nfs/dbraw/zinc/76/67/11/608766711.db2.gz KTEYPAGAALGXTK-UHFFFAOYSA-N -1 3 393.356 0.716 20 0 GCADHM NS(=O)(=O)c1ccc(O)c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000826395046 608766716 /nfs/dbraw/zinc/76/67/16/608766716.db2.gz KTEYPAGAALGXTK-UHFFFAOYSA-N -1 3 393.356 0.716 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)nc1 ZINC000826394722 608770104 /nfs/dbraw/zinc/77/01/04/608770104.db2.gz VYGISTJFZZGTIT-UHFFFAOYSA-N -1 3 399.392 0.519 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)nc1 ZINC000826394722 608770106 /nfs/dbraw/zinc/77/01/06/608770106.db2.gz VYGISTJFZZGTIT-UHFFFAOYSA-N -1 3 399.392 0.519 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000826172454 608772230 /nfs/dbraw/zinc/77/22/30/608772230.db2.gz HRHNFHRHFUEYCS-UHFFFAOYSA-N -1 3 390.381 0.275 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc(S(N)(=O)=O)cn1 ZINC000826172454 608772234 /nfs/dbraw/zinc/77/22/34/608772234.db2.gz HRHNFHRHFUEYCS-UHFFFAOYSA-N -1 3 390.381 0.275 20 0 GCADHM CN1CCC(=O)Nc2cc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)ccc21 ZINC000826023207 608820018 /nfs/dbraw/zinc/82/00/18/608820018.db2.gz YVBXGJJWZIMQTR-UHFFFAOYSA-N -1 3 397.399 0.281 20 0 GCADHM CN1CCC(=O)Nc2cc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)ccc21 ZINC000826023207 608820020 /nfs/dbraw/zinc/82/00/20/608820020.db2.gz YVBXGJJWZIMQTR-UHFFFAOYSA-N -1 3 397.399 0.281 20 0 GCADHM NC(=O)[C@@H]1COCCN1C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826389881 608822462 /nfs/dbraw/zinc/82/24/62/608822462.db2.gz KUOMMIISPXHWOG-ZDUSSCGKSA-N -1 3 398.379 0.365 20 0 GCADHM NC(=O)[C@@H]1COCCN1C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826389881 608822465 /nfs/dbraw/zinc/82/24/65/608822465.db2.gz KUOMMIISPXHWOG-ZDUSSCGKSA-N -1 3 398.379 0.365 20 0 GCADHM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826481911 608823979 /nfs/dbraw/zinc/82/39/79/608823979.db2.gz LVAZZHDXYFWTQD-AWEZNQCLSA-N -1 3 377.364 0.870 20 0 GCADHM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826481911 608823981 /nfs/dbraw/zinc/82/39/81/608823981.db2.gz LVAZZHDXYFWTQD-AWEZNQCLSA-N -1 3 377.364 0.870 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000824884373 608825067 /nfs/dbraw/zinc/82/50/67/608825067.db2.gz NVFKVJDZQHWCGI-NQBHXWOUSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000824884373 608825072 /nfs/dbraw/zinc/82/50/72/608825072.db2.gz NVFKVJDZQHWCGI-NQBHXWOUSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000824884372 608825210 /nfs/dbraw/zinc/82/52/10/608825210.db2.gz NVFKVJDZQHWCGI-MDZLAQPJSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000824884372 608825212 /nfs/dbraw/zinc/82/52/12/608825212.db2.gz NVFKVJDZQHWCGI-MDZLAQPJSA-N -1 3 394.457 0.217 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000825972037 608865695 /nfs/dbraw/zinc/86/56/95/608865695.db2.gz SJPNBHBVFWORDE-UHFFFAOYSA-N -1 3 390.400 0.925 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(S(N)(=O)=O)cc1F ZINC000825972037 608865697 /nfs/dbraw/zinc/86/56/97/608865697.db2.gz SJPNBHBVFWORDE-UHFFFAOYSA-N -1 3 390.400 0.925 20 0 GCADHM O=C(N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1(N2CCOCC2)CCC1 ZINC000826426062 608874693 /nfs/dbraw/zinc/87/46/93/608874693.db2.gz DGSGKIJVBBDDPZ-UHFFFAOYSA-N -1 3 398.471 0.165 20 0 GCADHM O=C(N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1(N2CCOCC2)CCC1 ZINC000826426062 608874696 /nfs/dbraw/zinc/87/46/96/608874696.db2.gz DGSGKIJVBBDDPZ-UHFFFAOYSA-N -1 3 398.471 0.165 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=S)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000825476209 608882750 /nfs/dbraw/zinc/88/27/50/608882750.db2.gz CCHHJYKDTPXQDD-SNVBAGLBSA-N -1 3 381.487 0.577 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=S)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000825476209 608882751 /nfs/dbraw/zinc/88/27/51/608882751.db2.gz CCHHJYKDTPXQDD-SNVBAGLBSA-N -1 3 381.487 0.577 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)n1cccn1 ZINC000824039996 609133615 /nfs/dbraw/zinc/13/36/15/609133615.db2.gz KJFIEZMFICKZJU-IUODEOHRSA-N -1 3 380.412 0.936 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)n1cccn1 ZINC000824039996 609133617 /nfs/dbraw/zinc/13/36/17/609133617.db2.gz KJFIEZMFICKZJU-IUODEOHRSA-N -1 3 380.412 0.936 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H]1CCC(=O)NC1 ZINC000826480278 609135082 /nfs/dbraw/zinc/13/50/82/609135082.db2.gz WOQAADKILCVTSZ-GXTWGEPZSA-N -1 3 383.412 0.005 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H]1CCC(=O)NC1 ZINC000826480278 609135084 /nfs/dbraw/zinc/13/50/84/609135084.db2.gz WOQAADKILCVTSZ-GXTWGEPZSA-N -1 3 383.412 0.005 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ncn1 ZINC000826259396 609136455 /nfs/dbraw/zinc/13/64/55/609136455.db2.gz QNYBMYSQIPUCLE-AWEZNQCLSA-N -1 3 378.396 0.891 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ncn1 ZINC000826259396 609136457 /nfs/dbraw/zinc/13/64/57/609136457.db2.gz QNYBMYSQIPUCLE-AWEZNQCLSA-N -1 3 378.396 0.891 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(OC)c(-c3nnn[n-]3)c2)[C@@H](C(=O)OC)C1 ZINC000826133250 609144674 /nfs/dbraw/zinc/14/46/74/609144674.db2.gz KYANNDYIEJDDGZ-TZMCWYRMSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2ccc(OC)c(-c3nn[n-]n3)c2)[C@@H](C(=O)OC)C1 ZINC000826133250 609144677 /nfs/dbraw/zinc/14/46/77/609144677.db2.gz KYANNDYIEJDDGZ-TZMCWYRMSA-N -1 3 389.412 0.802 20 0 GCADHM CC(C)N1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1=O ZINC000824301236 609147410 /nfs/dbraw/zinc/14/74/10/609147410.db2.gz UKMXDFKZGOJUNX-GFCCVEGCSA-N -1 3 375.458 0.586 20 0 GCADHM CC(C)N1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1=O ZINC000824301236 609147411 /nfs/dbraw/zinc/14/74/11/609147411.db2.gz UKMXDFKZGOJUNX-GFCCVEGCSA-N -1 3 375.458 0.586 20 0 GCADHM Cc1cc(C(=O)NCCN2CCO[C@H](C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259086 609153624 /nfs/dbraw/zinc/15/36/24/609153624.db2.gz GXZJGWWBZWJHQK-CQSZACIVSA-N -1 3 396.455 0.811 20 0 GCADHM Cc1cc(C(=O)NCCN2CCO[C@H](C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259086 609153625 /nfs/dbraw/zinc/15/36/25/609153625.db2.gz GXZJGWWBZWJHQK-CQSZACIVSA-N -1 3 396.455 0.811 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC000826060886 609155077 /nfs/dbraw/zinc/15/50/77/609155077.db2.gz VPSVOSIVUTYVQA-AWEZNQCLSA-N -1 3 394.439 0.959 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000826060886 609155079 /nfs/dbraw/zinc/15/50/79/609155079.db2.gz VPSVOSIVUTYVQA-AWEZNQCLSA-N -1 3 394.439 0.959 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)Nc1ccc2nccn2c1 ZINC000825929581 609158189 /nfs/dbraw/zinc/15/81/89/609158189.db2.gz JAJYOTRGPFEJTF-UHFFFAOYSA-N -1 3 381.404 0.916 20 0 GCADHM Cc1cc(C(=O)N2CCC(NC(N)=O)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257901 609160604 /nfs/dbraw/zinc/16/06/04/609160604.db2.gz SBOIQBWIOUBCGV-UHFFFAOYSA-N -1 3 395.427 0.634 20 0 GCADHM Cc1cc(C(=O)N2CCC(NC(N)=O)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257901 609160605 /nfs/dbraw/zinc/16/06/05/609160605.db2.gz SBOIQBWIOUBCGV-UHFFFAOYSA-N -1 3 395.427 0.634 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258681 609162146 /nfs/dbraw/zinc/16/21/46/609162146.db2.gz SDTPZIQJNWJTBZ-CQSZACIVSA-N -1 3 393.411 0.210 20 0 GCADHM Cc1cc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258681 609162147 /nfs/dbraw/zinc/16/21/47/609162147.db2.gz SDTPZIQJNWJTBZ-CQSZACIVSA-N -1 3 393.411 0.210 20 0 GCADHM COC(=O)[C@@H](OC(=O)C1CCN(C(C)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117828 609163110 /nfs/dbraw/zinc/16/31/10/609163110.db2.gz SKBLGTZNZKQKDR-HNNXBMFYSA-N -1 3 387.396 0.883 20 0 GCADHM COC(=O)[C@@H](OC(=O)C1CCN(C(C)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117828 609163112 /nfs/dbraw/zinc/16/31/12/609163112.db2.gz SKBLGTZNZKQKDR-HNNXBMFYSA-N -1 3 387.396 0.883 20 0 GCADHM Cc1cc(C(=O)NC[C@]2(CCO)CCOC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259036 609163899 /nfs/dbraw/zinc/16/38/99/609163899.db2.gz FPPJLDUSXANOLQ-IBGZPJMESA-N -1 3 397.439 0.880 20 0 GCADHM Cc1cc(C(=O)NC[C@]2(CCO)CCOC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259036 609163900 /nfs/dbraw/zinc/16/39/00/609163900.db2.gz FPPJLDUSXANOLQ-IBGZPJMESA-N -1 3 397.439 0.880 20 0 GCADHM Cc1cc(C(=O)NC[C@@]2(CCO)CCOC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259037 609163915 /nfs/dbraw/zinc/16/39/15/609163915.db2.gz FPPJLDUSXANOLQ-LJQANCHMSA-N -1 3 397.439 0.880 20 0 GCADHM Cc1cc(C(=O)NC[C@@]2(CCO)CCOC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259037 609163917 /nfs/dbraw/zinc/16/39/17/609163917.db2.gz FPPJLDUSXANOLQ-LJQANCHMSA-N -1 3 397.439 0.880 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000826174018 609172046 /nfs/dbraw/zinc/17/20/46/609172046.db2.gz FSQZWYBMOUFPML-UHFFFAOYSA-N -1 3 398.427 0.769 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000826174018 609172048 /nfs/dbraw/zinc/17/20/48/609172048.db2.gz FSQZWYBMOUFPML-UHFFFAOYSA-N -1 3 398.427 0.769 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCCNC(=O)c1ccn[nH]1 ZINC000826419897 609176312 /nfs/dbraw/zinc/17/63/12/609176312.db2.gz PSKITRQGLKSRLR-UHFFFAOYSA-N -1 3 386.441 0.369 20 0 GCADHM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826434567 609177656 /nfs/dbraw/zinc/17/76/56/609177656.db2.gz QNBVENLIYYTZQQ-GUYCJALGSA-N -1 3 395.467 0.963 20 0 GCADHM CCCNC(=O)CCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825328452 609178532 /nfs/dbraw/zinc/17/85/32/609178532.db2.gz SLYICOWSQCKTNY-OAHLLOKOSA-N -1 3 399.455 0.785 20 0 GCADHM CCCNC(=O)CCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825328452 609178534 /nfs/dbraw/zinc/17/85/34/609178534.db2.gz SLYICOWSQCKTNY-OAHLLOKOSA-N -1 3 399.455 0.785 20 0 GCADHM O=C(COc1cccnc1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826419867 609178925 /nfs/dbraw/zinc/17/89/25/609178925.db2.gz OZBMGJQIDCMCAI-MRXNPFEDSA-N -1 3 393.407 0.952 20 0 GCADHM O=C(COc1cccnc1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826419867 609178927 /nfs/dbraw/zinc/17/89/27/609178927.db2.gz OZBMGJQIDCMCAI-MRXNPFEDSA-N -1 3 393.407 0.952 20 0 GCADHM O=C(CCCC(=O)N[C@@H]1CCCCNC1=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826405800 609179319 /nfs/dbraw/zinc/17/93/19/609179319.db2.gz UMWGCJRMDUSLIM-CQSZACIVSA-N -1 3 385.428 0.760 20 0 GCADHM O=C(CCCC(=O)N[C@@H]1CCCCNC1=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826405800 609179320 /nfs/dbraw/zinc/17/93/20/609179320.db2.gz UMWGCJRMDUSLIM-CQSZACIVSA-N -1 3 385.428 0.760 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1ccc[n+]([O-])c1 ZINC000826431227 609179466 /nfs/dbraw/zinc/17/94/66/609179466.db2.gz VUAVKKSVGVXKDK-OAHLLOKOSA-N -1 3 379.380 0.426 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1ccc[n+]([O-])c1 ZINC000826431227 609179468 /nfs/dbraw/zinc/17/94/68/609179468.db2.gz VUAVKKSVGVXKDK-OAHLLOKOSA-N -1 3 379.380 0.426 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3F)CCO2)no1 ZINC000826325428 609180940 /nfs/dbraw/zinc/18/09/40/609180940.db2.gz XGEKIKKRVSRIBQ-ZDUSSCGKSA-N -1 3 388.363 0.980 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3F)CCO2)no1 ZINC000826325428 609180942 /nfs/dbraw/zinc/18/09/42/609180942.db2.gz XGEKIKKRVSRIBQ-ZDUSSCGKSA-N -1 3 388.363 0.980 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826438742 609181281 /nfs/dbraw/zinc/18/12/81/609181281.db2.gz OZSMNNVUFVHEMH-LBPRGKRZSA-N -1 3 385.428 0.556 20 0 GCADHM CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC000825846079 609181900 /nfs/dbraw/zinc/18/19/00/609181900.db2.gz QPUGLDOUCAWEHG-UHFFFAOYSA-N -1 3 393.473 0.633 20 0 GCADHM CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC000825846079 609181902 /nfs/dbraw/zinc/18/19/02/609181902.db2.gz QPUGLDOUCAWEHG-UHFFFAOYSA-N -1 3 393.473 0.633 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NC[C@H]1COC2(CCOCC2)O1 ZINC000826486446 609182197 /nfs/dbraw/zinc/18/21/97/609182197.db2.gz COGPJFHQFROBBC-AWEZNQCLSA-N -1 3 395.441 0.208 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NC[C@H]1COC2(CCOCC2)O1 ZINC000826486446 609182199 /nfs/dbraw/zinc/18/21/99/609182199.db2.gz COGPJFHQFROBBC-AWEZNQCLSA-N -1 3 395.441 0.208 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000826280191 609182477 /nfs/dbraw/zinc/18/24/77/609182477.db2.gz QMPSZSRIZWSACM-ZDUSSCGKSA-N -1 3 395.441 0.376 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000826280191 609182479 /nfs/dbraw/zinc/18/24/79/609182479.db2.gz QMPSZSRIZWSACM-ZDUSSCGKSA-N -1 3 395.441 0.376 20 0 GCADHM Cc1cc(CN2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000826266197 609186766 /nfs/dbraw/zinc/18/67/66/609186766.db2.gz GLICLZRXISAPJB-INIZCTEOSA-N -1 3 383.412 0.541 20 0 GCADHM Cc1cc(CN2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000826266197 609186768 /nfs/dbraw/zinc/18/67/68/609186768.db2.gz GLICLZRXISAPJB-INIZCTEOSA-N -1 3 383.412 0.541 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000826398830 609189514 /nfs/dbraw/zinc/18/95/14/609189514.db2.gz GYEMBRIYINEATC-MRXNPFEDSA-N -1 3 384.440 0.761 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000826398830 609189516 /nfs/dbraw/zinc/18/95/16/609189516.db2.gz GYEMBRIYINEATC-MRXNPFEDSA-N -1 3 384.440 0.761 20 0 GCADHM O=C(NCc1ccc(Cn2cncn2)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442221 609189690 /nfs/dbraw/zinc/18/96/90/609189690.db2.gz NNVDKXRMHDXSNG-QGZVFWFLSA-N -1 3 390.407 0.856 20 0 GCADHM O=C(NCc1ccc(Cn2cncn2)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442221 609189691 /nfs/dbraw/zinc/18/96/91/609189691.db2.gz NNVDKXRMHDXSNG-QGZVFWFLSA-N -1 3 390.407 0.856 20 0 GCADHM CN(Cc1nnc2n1CCCCC2)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825999230 609190314 /nfs/dbraw/zinc/19/03/14/609190314.db2.gz SGRLTMJTVTXYNX-MRXNPFEDSA-N -1 3 382.428 0.877 20 0 GCADHM CN(Cc1nnc2n1CCCCC2)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825999230 609190315 /nfs/dbraw/zinc/19/03/15/609190315.db2.gz SGRLTMJTVTXYNX-MRXNPFEDSA-N -1 3 382.428 0.877 20 0 GCADHM CCCN(C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000825300944 609192013 /nfs/dbraw/zinc/19/20/13/609192013.db2.gz GABHYSYTZKERDF-UONOGXRCSA-N -1 3 379.442 0.326 20 0 GCADHM CCCN(C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000825300944 609192014 /nfs/dbraw/zinc/19/20/14/609192014.db2.gz GABHYSYTZKERDF-UONOGXRCSA-N -1 3 379.442 0.326 20 0 GCADHM O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431605 609192250 /nfs/dbraw/zinc/19/22/50/609192250.db2.gz GITTURBPTLETQE-ZBFHGGJFSA-N -1 3 399.432 0.935 20 0 GCADHM O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431605 609192252 /nfs/dbraw/zinc/19/22/52/609192252.db2.gz GITTURBPTLETQE-ZBFHGGJFSA-N -1 3 399.432 0.935 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431604 609192282 /nfs/dbraw/zinc/19/22/82/609192282.db2.gz GITTURBPTLETQE-HOCLYGCPSA-N -1 3 399.432 0.935 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431604 609192285 /nfs/dbraw/zinc/19/22/85/609192285.db2.gz GITTURBPTLETQE-HOCLYGCPSA-N -1 3 399.432 0.935 20 0 GCADHM CNS(=O)(=O)Cc1ccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826090690 609192549 /nfs/dbraw/zinc/19/25/49/609192549.db2.gz LEXAGFYSUDEWFQ-UHFFFAOYSA-N -1 3 375.414 0.174 20 0 GCADHM CNS(=O)(=O)Cc1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826090690 609192551 /nfs/dbraw/zinc/19/25/51/609192551.db2.gz LEXAGFYSUDEWFQ-UHFFFAOYSA-N -1 3 375.414 0.174 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccn2c(=O)[nH]nc12 ZINC000826158619 609194561 /nfs/dbraw/zinc/19/45/61/609194561.db2.gz WHNNSPAQVATDPJ-UHFFFAOYSA-N -1 3 394.395 0.904 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccn2c(=O)[nH]nc12 ZINC000826158619 609194563 /nfs/dbraw/zinc/19/45/63/609194563.db2.gz WHNNSPAQVATDPJ-UHFFFAOYSA-N -1 3 394.395 0.904 20 0 GCADHM COc1ccccc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000826217746 609195181 /nfs/dbraw/zinc/19/51/81/609195181.db2.gz AIPRYOKLHPPSDI-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM COc1ccccc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826217746 609195183 /nfs/dbraw/zinc/19/51/83/609195183.db2.gz AIPRYOKLHPPSDI-UHFFFAOYSA-N -1 3 381.396 0.802 20 0 GCADHM O=C(NCc1ccnc(N2CCOCC2)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443593 609195853 /nfs/dbraw/zinc/19/58/53/609195853.db2.gz WMJBTUVXWSFUJK-KRWDZBQOSA-N -1 3 395.423 0.448 20 0 GCADHM O=C(NCc1ccnc(N2CCOCC2)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443593 609195855 /nfs/dbraw/zinc/19/58/55/609195855.db2.gz WMJBTUVXWSFUJK-KRWDZBQOSA-N -1 3 395.423 0.448 20 0 GCADHM CC(C)OCCCNC(=O)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824315089 609195912 /nfs/dbraw/zinc/19/59/12/609195912.db2.gz KDEXAPUUTBYTSZ-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)OCCCNC(=O)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824315089 609195914 /nfs/dbraw/zinc/19/59/14/609195914.db2.gz KDEXAPUUTBYTSZ-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM Cc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1-n1cnnn1 ZINC000826290364 609196448 /nfs/dbraw/zinc/19/64/48/609196448.db2.gz KHOKRWZZBYCUKQ-OAHLLOKOSA-N -1 3 377.368 0.823 20 0 GCADHM Cc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1-n1cnnn1 ZINC000826290364 609196449 /nfs/dbraw/zinc/19/64/49/609196449.db2.gz KHOKRWZZBYCUKQ-OAHLLOKOSA-N -1 3 377.368 0.823 20 0 GCADHM COc1cc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)ccc1OCC(=O)N(C)C ZINC000826179165 609196827 /nfs/dbraw/zinc/19/68/27/609196827.db2.gz BYRSPNKFXZKGCV-UHFFFAOYSA-N -1 3 399.411 0.600 20 0 GCADHM COc1cc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)ccc1OCC(=O)N(C)C ZINC000826179165 609196829 /nfs/dbraw/zinc/19/68/29/609196829.db2.gz BYRSPNKFXZKGCV-UHFFFAOYSA-N -1 3 399.411 0.600 20 0 GCADHM O=C(NCc1ccccc1Cn1cncn1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443296 609196892 /nfs/dbraw/zinc/19/68/92/609196892.db2.gz JOEYLLOHGBOCOQ-KRWDZBQOSA-N -1 3 390.407 0.856 20 0 GCADHM O=C(NCc1ccccc1Cn1cncn1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443296 609196893 /nfs/dbraw/zinc/19/68/93/609196893.db2.gz JOEYLLOHGBOCOQ-KRWDZBQOSA-N -1 3 390.407 0.856 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000824514004 609199212 /nfs/dbraw/zinc/19/92/12/609199212.db2.gz LLHDTGQNMYGFSE-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000824514004 609199213 /nfs/dbraw/zinc/19/92/13/609199213.db2.gz LLHDTGQNMYGFSE-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM CCNC(=O)c1cccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825476346 609199560 /nfs/dbraw/zinc/19/95/60/609199560.db2.gz HCOIDSZMNAQMNG-INIZCTEOSA-N -1 3 380.408 0.966 20 0 GCADHM CCNC(=O)c1cccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825476346 609199561 /nfs/dbraw/zinc/19/95/61/609199561.db2.gz HCOIDSZMNAQMNG-INIZCTEOSA-N -1 3 380.408 0.966 20 0 GCADHM CCNC(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825476476 609199666 /nfs/dbraw/zinc/19/96/66/609199666.db2.gz LDUOMMKJOXHUNF-MRXNPFEDSA-N -1 3 380.408 0.966 20 0 GCADHM CCNC(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825476476 609199668 /nfs/dbraw/zinc/19/96/68/609199668.db2.gz LDUOMMKJOXHUNF-MRXNPFEDSA-N -1 3 380.408 0.966 20 0 GCADHM C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000824968519 609202370 /nfs/dbraw/zinc/20/23/70/609202370.db2.gz QEYQSRGKPKREEG-DOMZBBRYSA-N -1 3 385.428 0.792 20 0 GCADHM C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000824968519 609202371 /nfs/dbraw/zinc/20/23/71/609202371.db2.gz QEYQSRGKPKREEG-DOMZBBRYSA-N -1 3 385.428 0.792 20 0 GCADHM C[C@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825005656 609202419 /nfs/dbraw/zinc/20/24/19/609202419.db2.gz BKVVVYBHZVVCIN-SWLSCSKDSA-N -1 3 385.428 0.792 20 0 GCADHM C[C@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825005656 609202421 /nfs/dbraw/zinc/20/24/21/609202421.db2.gz BKVVVYBHZVVCIN-SWLSCSKDSA-N -1 3 385.428 0.792 20 0 GCADHM NC(=O)CCOc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826391495 609202998 /nfs/dbraw/zinc/20/29/98/609202998.db2.gz NPYOPWOTFANZDP-INIZCTEOSA-N -1 3 382.380 0.793 20 0 GCADHM NC(=O)CCOc1ccccc1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826391495 609202999 /nfs/dbraw/zinc/20/29/99/609202999.db2.gz NPYOPWOTFANZDP-INIZCTEOSA-N -1 3 382.380 0.793 20 0 GCADHM O=C(N[C@H](CCO)C1CC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826430703 609203183 /nfs/dbraw/zinc/20/31/83/609203183.db2.gz JJKSPAFNACFVKV-CVEARBPZSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(N[C@H](CCO)C1CC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826430703 609203185 /nfs/dbraw/zinc/20/31/85/609203185.db2.gz JJKSPAFNACFVKV-CVEARBPZSA-N -1 3 399.455 0.822 20 0 GCADHM CC(C)[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824207048 609203506 /nfs/dbraw/zinc/20/35/06/609203506.db2.gz OMKDQIHVVAPPOM-CABCVRRESA-N -1 3 387.444 0.678 20 0 GCADHM CC(C)[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824207048 609203507 /nfs/dbraw/zinc/20/35/07/609203507.db2.gz OMKDQIHVVAPPOM-CABCVRRESA-N -1 3 387.444 0.678 20 0 GCADHM C[C@@](CO)(NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000824435278 609203530 /nfs/dbraw/zinc/20/35/30/609203530.db2.gz NPMKYTASYYKQOB-KXBFYZLASA-N -1 3 399.455 0.822 20 0 GCADHM C[C@@](CO)(NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000824435278 609203531 /nfs/dbraw/zinc/20/35/31/609203531.db2.gz NPMKYTASYYKQOB-KXBFYZLASA-N -1 3 399.455 0.822 20 0 GCADHM C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(C)(C)O ZINC000824499577 609203948 /nfs/dbraw/zinc/20/39/48/609203948.db2.gz PSKGZPLKSYCZER-RISCZKNCSA-N -1 3 387.444 0.821 20 0 GCADHM C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(C)(C)O ZINC000824499577 609203949 /nfs/dbraw/zinc/20/39/49/609203949.db2.gz PSKGZPLKSYCZER-RISCZKNCSA-N -1 3 387.444 0.821 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CC[C@@H](CO)C1 ZINC000826431069 609204795 /nfs/dbraw/zinc/20/47/95/609204795.db2.gz RIUCASPQRQEDMG-DOMZBBRYSA-N -1 3 385.428 0.386 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CC[C@@H](CO)C1 ZINC000826431069 609204796 /nfs/dbraw/zinc/20/47/96/609204796.db2.gz RIUCASPQRQEDMG-DOMZBBRYSA-N -1 3 385.428 0.386 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC(CO)CC1 ZINC000826431040 609204837 /nfs/dbraw/zinc/20/48/37/609204837.db2.gz QNUGEHDRSFXXTD-INIZCTEOSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC(CO)CC1 ZINC000826431040 609204839 /nfs/dbraw/zinc/20/48/39/609204839.db2.gz QNUGEHDRSFXXTD-INIZCTEOSA-N -1 3 399.455 0.776 20 0 GCADHM CO[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826166742 609205962 /nfs/dbraw/zinc/20/59/62/609205962.db2.gz YWJYEBCXBHWMTM-CABCVRRESA-N -1 3 385.428 0.792 20 0 GCADHM CO[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826166742 609205963 /nfs/dbraw/zinc/20/59/63/609205963.db2.gz YWJYEBCXBHWMTM-CABCVRRESA-N -1 3 385.428 0.792 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N(CCO)C1CC1 ZINC000826477290 609206549 /nfs/dbraw/zinc/20/65/49/609206549.db2.gz ZHAVYRHRQQEXHO-OAHLLOKOSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N(CCO)C1CC1 ZINC000826477290 609206550 /nfs/dbraw/zinc/20/65/50/609206550.db2.gz ZHAVYRHRQQEXHO-OAHLLOKOSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826434514 609206646 /nfs/dbraw/zinc/20/66/46/609206646.db2.gz OVPOZILRZIBAHK-IMJJTQAJSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826434514 609206647 /nfs/dbraw/zinc/20/66/47/609206647.db2.gz OVPOZILRZIBAHK-IMJJTQAJSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(NC[C@@H](O)C1CC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826432960 609206708 /nfs/dbraw/zinc/20/67/08/609206708.db2.gz QODDMWWMFPDKCN-HUUCEWRRSA-N -1 3 385.428 0.432 20 0 GCADHM O=C(NC[C@@H](O)C1CC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826432960 609206710 /nfs/dbraw/zinc/20/67/10/609206710.db2.gz QODDMWWMFPDKCN-HUUCEWRRSA-N -1 3 385.428 0.432 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826281871 609209320 /nfs/dbraw/zinc/20/93/20/609209320.db2.gz NGMBNWBMUFUGQA-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1ccc(C(=O)NCCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826281871 609209322 /nfs/dbraw/zinc/20/93/22/609209322.db2.gz NGMBNWBMUFUGQA-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM O=C(NCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000826437500 609209562 /nfs/dbraw/zinc/20/95/62/609209562.db2.gz OEBUXRNBAFYQMS-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(NCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000826437500 609209564 /nfs/dbraw/zinc/20/95/64/609209564.db2.gz OEBUXRNBAFYQMS-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824777892 609210979 /nfs/dbraw/zinc/21/09/79/609210979.db2.gz LAVMFEWSJRLSDO-SNVBAGLBSA-N -1 3 383.416 0.974 20 0 GCADHM C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824777892 609210981 /nfs/dbraw/zinc/21/09/81/609210981.db2.gz LAVMFEWSJRLSDO-SNVBAGLBSA-N -1 3 383.416 0.974 20 0 GCADHM O=C(Nc1cccnc1N1CCOCC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826458012 609211566 /nfs/dbraw/zinc/21/15/66/609211566.db2.gz ZJZMCFDHOMLJDW-OAHLLOKOSA-N -1 3 381.396 0.770 20 0 GCADHM O=C(Nc1cccnc1N1CCOCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826458012 609211568 /nfs/dbraw/zinc/21/15/68/609211568.db2.gz ZJZMCFDHOMLJDW-OAHLLOKOSA-N -1 3 381.396 0.770 20 0 GCADHM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826329012 609211676 /nfs/dbraw/zinc/21/16/76/609211676.db2.gz MVZMHMBDGYXGHM-HNNXBMFYSA-N -1 3 391.395 0.464 20 0 GCADHM Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826329012 609211677 /nfs/dbraw/zinc/21/16/77/609211677.db2.gz MVZMHMBDGYXGHM-HNNXBMFYSA-N -1 3 391.395 0.464 20 0 GCADHM O=C(NCCS(=O)(=O)c1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439494 609213149 /nfs/dbraw/zinc/21/31/49/609213149.db2.gz XCVZFZSPZCQMPO-OAHLLOKOSA-N -1 3 387.421 0.490 20 0 GCADHM O=C(NCCS(=O)(=O)c1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439494 609213150 /nfs/dbraw/zinc/21/31/50/609213150.db2.gz XCVZFZSPZCQMPO-OAHLLOKOSA-N -1 3 387.421 0.490 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826429301 609214390 /nfs/dbraw/zinc/21/43/90/609214390.db2.gz ZMQIDRZUBJQEJH-PBHICJAKSA-N -1 3 378.392 0.822 20 0 GCADHM O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826429301 609214391 /nfs/dbraw/zinc/21/43/91/609214391.db2.gz ZMQIDRZUBJQEJH-PBHICJAKSA-N -1 3 378.392 0.822 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCN(CC(F)(F)F)CC1 ZINC000826397675 609214495 /nfs/dbraw/zinc/21/44/95/609214495.db2.gz ILBRRFUHQICICR-ZDUSSCGKSA-N -1 3 384.362 0.997 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCCN(CC(F)(F)F)CC1 ZINC000826397675 609214496 /nfs/dbraw/zinc/21/44/96/609214496.db2.gz ILBRRFUHQICICR-ZDUSSCGKSA-N -1 3 384.362 0.997 20 0 GCADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)NCCc1ccccc1 ZINC000826411882 609215418 /nfs/dbraw/zinc/21/54/18/609215418.db2.gz RBEIJVRRWKWFOV-KRWDZBQOSA-N -1 3 380.408 0.375 20 0 GCADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)NCCc1ccccc1 ZINC000826411882 609215419 /nfs/dbraw/zinc/21/54/19/609215419.db2.gz RBEIJVRRWKWFOV-KRWDZBQOSA-N -1 3 380.408 0.375 20 0 GCADHM CCN(CC)C(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825398910 609215856 /nfs/dbraw/zinc/21/58/56/609215856.db2.gz AVPPZESKYGLISY-ZIAGYGMSSA-N -1 3 390.469 0.670 20 0 GCADHM CCN(CC)C(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825398910 609215857 /nfs/dbraw/zinc/21/58/57/609215857.db2.gz AVPPZESKYGLISY-ZIAGYGMSSA-N -1 3 390.469 0.670 20 0 GCADHM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824266588 609216125 /nfs/dbraw/zinc/21/61/25/609216125.db2.gz NNYBYNGZAZBIRD-KBPBESRZSA-N -1 3 390.469 0.574 20 0 GCADHM CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824266588 609216127 /nfs/dbraw/zinc/21/61/27/609216127.db2.gz NNYBYNGZAZBIRD-KBPBESRZSA-N -1 3 390.469 0.574 20 0 GCADHM CC(C)COC(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824266392 609217318 /nfs/dbraw/zinc/21/73/18/609217318.db2.gz KPZYLVAAXKYPIU-HNNXBMFYSA-N -1 3 388.428 0.837 20 0 GCADHM CC(C)COC(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824266392 609217320 /nfs/dbraw/zinc/21/73/20/609217320.db2.gz KPZYLVAAXKYPIU-HNNXBMFYSA-N -1 3 388.428 0.837 20 0 GCADHM CCNC(=O)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825464363 609217828 /nfs/dbraw/zinc/21/78/28/609217828.db2.gz CCHLDYAZCAJBTE-LBPRGKRZSA-N -1 3 389.441 0.233 20 0 GCADHM CCNC(=O)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825464363 609217829 /nfs/dbraw/zinc/21/78/29/609217829.db2.gz CCHLDYAZCAJBTE-LBPRGKRZSA-N -1 3 389.441 0.233 20 0 GCADHM CCNC(=O)CC(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825466006 609217898 /nfs/dbraw/zinc/21/78/98/609217898.db2.gz VEOMWSWABCUPCP-UHFFFAOYSA-N -1 3 385.428 0.570 20 0 GCADHM CCNC(=O)CC(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825466006 609217901 /nfs/dbraw/zinc/21/79/01/609217901.db2.gz VEOMWSWABCUPCP-UHFFFAOYSA-N -1 3 385.428 0.570 20 0 GCADHM O=C(NCCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826436871 609218449 /nfs/dbraw/zinc/21/84/49/609218449.db2.gz MLGWKZRGNZEZHR-INIZCTEOSA-N -1 3 380.408 0.836 20 0 GCADHM O=C(NCCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826436871 609218451 /nfs/dbraw/zinc/21/84/51/609218451.db2.gz MLGWKZRGNZEZHR-INIZCTEOSA-N -1 3 380.408 0.836 20 0 GCADHM O=C(NCCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccs1 ZINC000826436843 609218583 /nfs/dbraw/zinc/21/85/83/609218583.db2.gz LLKUKEYBYHTSNY-CQSZACIVSA-N -1 3 386.437 0.898 20 0 GCADHM O=C(NCCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000826436843 609218585 /nfs/dbraw/zinc/21/85/85/609218585.db2.gz LLKUKEYBYHTSNY-CQSZACIVSA-N -1 3 386.437 0.898 20 0 GCADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824178146 609218819 /nfs/dbraw/zinc/21/88/19/609218819.db2.gz NGINVHDAFMHUJN-XJKSGUPXSA-N -1 3 386.456 0.911 20 0 GCADHM CC(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824178146 609218820 /nfs/dbraw/zinc/21/88/20/609218820.db2.gz NGINVHDAFMHUJN-XJKSGUPXSA-N -1 3 386.456 0.911 20 0 GCADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCc2ccccc21 ZINC000826433040 609220096 /nfs/dbraw/zinc/22/00/96/609220096.db2.gz SHJDLCWKBRFJDN-KRWDZBQOSA-N -1 3 378.392 0.606 20 0 GCADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc21 ZINC000826433040 609220097 /nfs/dbraw/zinc/22/00/97/609220097.db2.gz SHJDLCWKBRFJDN-KRWDZBQOSA-N -1 3 378.392 0.606 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000824991726 609220696 /nfs/dbraw/zinc/22/06/96/609220696.db2.gz FVHOURFZTXVROV-PWSUYJOCSA-N -1 3 381.462 0.373 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000824991726 609220698 /nfs/dbraw/zinc/22/06/98/609220698.db2.gz FVHOURFZTXVROV-PWSUYJOCSA-N -1 3 381.462 0.373 20 0 GCADHM CC(C)(C)OC(=O)NCCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824113853 609222981 /nfs/dbraw/zinc/22/29/81/609222981.db2.gz FTDUKKSQSPDQIU-ZDUSSCGKSA-N -1 3 376.417 0.931 20 0 GCADHM CC(C)(C)OC(=O)NCCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824113853 609222982 /nfs/dbraw/zinc/22/29/82/609222982.db2.gz FTDUKKSQSPDQIU-ZDUSSCGKSA-N -1 3 376.417 0.931 20 0 GCADHM CC(C)(C)OC(=O)NCCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824113852 609223244 /nfs/dbraw/zinc/22/32/44/609223244.db2.gz FTDUKKSQSPDQIU-CYBMUJFWSA-N -1 3 376.417 0.931 20 0 GCADHM CC(C)(C)OC(=O)NCCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824113852 609223246 /nfs/dbraw/zinc/22/32/46/609223246.db2.gz FTDUKKSQSPDQIU-CYBMUJFWSA-N -1 3 376.417 0.931 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000826396999 609224169 /nfs/dbraw/zinc/22/41/69/609224169.db2.gz QXFYYERLAACSAW-UONOGXRCSA-N -1 3 377.426 0.078 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000826396999 609224170 /nfs/dbraw/zinc/22/41/70/609224170.db2.gz QXFYYERLAACSAW-UONOGXRCSA-N -1 3 377.426 0.078 20 0 GCADHM CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825805146 609224953 /nfs/dbraw/zinc/22/49/53/609224953.db2.gz UVCYFPHGHJYBMA-HUUCEWRRSA-N -1 3 382.428 0.918 20 0 GCADHM CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825805146 609224955 /nfs/dbraw/zinc/22/49/55/609224955.db2.gz UVCYFPHGHJYBMA-HUUCEWRRSA-N -1 3 382.428 0.918 20 0 GCADHM Cn1cc(CN2CCCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000826360486 609225502 /nfs/dbraw/zinc/22/55/02/609225502.db2.gz MAAVVZQNZZPCQV-QGZVFWFLSA-N -1 3 396.455 0.368 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000826397696 609226179 /nfs/dbraw/zinc/22/61/79/609226179.db2.gz ISGLUWLMFMAUTB-ZBFHGGJFSA-N -1 3 394.439 0.844 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000826397696 609226181 /nfs/dbraw/zinc/22/61/81/609226181.db2.gz ISGLUWLMFMAUTB-ZBFHGGJFSA-N -1 3 394.439 0.844 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)s1 ZINC000826292635 609226618 /nfs/dbraw/zinc/22/66/18/609226618.db2.gz DWJOJOZJRDXPOW-UHFFFAOYSA-N -1 3 381.443 0.273 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC000826292635 609226620 /nfs/dbraw/zinc/22/66/20/609226620.db2.gz DWJOJOZJRDXPOW-UHFFFAOYSA-N -1 3 381.443 0.273 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390729 609227401 /nfs/dbraw/zinc/22/74/01/609227401.db2.gz KCOCFTBGFMDCKZ-JKSUJKDBSA-N -1 3 378.392 0.511 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390729 609227403 /nfs/dbraw/zinc/22/74/03/609227403.db2.gz KCOCFTBGFMDCKZ-JKSUJKDBSA-N -1 3 378.392 0.511 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826222151 609237335 /nfs/dbraw/zinc/23/73/35/609237335.db2.gz LDRFMEPBZKNBEX-MJBXVCDLSA-N -1 3 379.442 0.372 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826222151 609237336 /nfs/dbraw/zinc/23/73/36/609237336.db2.gz LDRFMEPBZKNBEX-MJBXVCDLSA-N -1 3 379.442 0.372 20 0 GCADHM C[C@H]1CN=C(N2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)S1 ZINC000824999594 609237952 /nfs/dbraw/zinc/23/79/52/609237952.db2.gz IHGSUTKJNLMPBU-SMDDNHRTSA-N -1 3 387.469 0.536 20 0 GCADHM C[C@H]1CN=C(N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)S1 ZINC000824999594 609237953 /nfs/dbraw/zinc/23/79/53/609237953.db2.gz IHGSUTKJNLMPBU-SMDDNHRTSA-N -1 3 387.469 0.536 20 0 GCADHM Cc1nsc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826339972 609238215 /nfs/dbraw/zinc/23/82/15/609238215.db2.gz BFDMOIWGUQHNKT-CYBMUJFWSA-N -1 3 386.441 0.409 20 0 GCADHM Cc1nsc(N2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826339972 609238216 /nfs/dbraw/zinc/23/82/16/609238216.db2.gz BFDMOIWGUQHNKT-CYBMUJFWSA-N -1 3 386.441 0.409 20 0 GCADHM COC(=O)[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826104489 609238575 /nfs/dbraw/zinc/23/85/75/609238575.db2.gz XJFLPYBEGJRABS-JKSUJKDBSA-N -1 3 381.392 0.973 20 0 GCADHM COC(=O)[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826104489 609238577 /nfs/dbraw/zinc/23/85/77/609238577.db2.gz XJFLPYBEGJRABS-JKSUJKDBSA-N -1 3 381.392 0.973 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000826090557 609239539 /nfs/dbraw/zinc/23/95/39/609239539.db2.gz IUKLWAAZHURELK-CQSZACIVSA-N -1 3 397.457 0.753 20 0 GCADHM CNS(=O)(=O)CCCOC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000826090557 609239541 /nfs/dbraw/zinc/23/95/41/609239541.db2.gz IUKLWAAZHURELK-CQSZACIVSA-N -1 3 397.457 0.753 20 0 GCADHM C[C@H](CS(C)(=O)=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000824450314 609240051 /nfs/dbraw/zinc/24/00/51/609240051.db2.gz VBHVFHQECZCAHZ-LLVKDONJSA-N -1 3 380.474 0.673 20 0 GCADHM C[C@H](CS(C)(=O)=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000824450314 609240053 /nfs/dbraw/zinc/24/00/53/609240053.db2.gz VBHVFHQECZCAHZ-LLVKDONJSA-N -1 3 380.474 0.673 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000826482431 609240550 /nfs/dbraw/zinc/24/05/50/609240550.db2.gz DMKOTASKAZJDDG-UONOGXRCSA-N -1 3 384.421 0.661 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000826482431 609240551 /nfs/dbraw/zinc/24/05/51/609240551.db2.gz DMKOTASKAZJDDG-UONOGXRCSA-N -1 3 384.421 0.661 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000826482432 609240715 /nfs/dbraw/zinc/24/07/15/609240715.db2.gz DMKOTASKAZJDDG-ZIAGYGMSSA-N -1 3 384.421 0.661 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000826482432 609240717 /nfs/dbraw/zinc/24/07/17/609240717.db2.gz DMKOTASKAZJDDG-ZIAGYGMSSA-N -1 3 384.421 0.661 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824364402 609245568 /nfs/dbraw/zinc/24/55/68/609245568.db2.gz DZVGUQSLJXEQJN-HIFRSBDPSA-N -1 3 382.428 0.746 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824364402 609245569 /nfs/dbraw/zinc/24/55/69/609245569.db2.gz DZVGUQSLJXEQJN-HIFRSBDPSA-N -1 3 382.428 0.746 20 0 GCADHM Cn1cc([C@@]2(C)CN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000826359490 609247361 /nfs/dbraw/zinc/24/73/61/609247361.db2.gz INKKJDIITSRGGB-CRAIPNDOSA-N -1 3 383.412 0.408 20 0 GCADHM Cn1cc([C@@]2(C)CN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000826359490 609247363 /nfs/dbraw/zinc/24/73/63/609247363.db2.gz INKKJDIITSRGGB-CRAIPNDOSA-N -1 3 383.412 0.408 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc(F)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432665 609249195 /nfs/dbraw/zinc/24/91/95/609249195.db2.gz HOSMZCYVQCTCHT-GDBMZVCRSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc(F)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432665 609249197 /nfs/dbraw/zinc/24/91/97/609249197.db2.gz HOSMZCYVQCTCHT-GDBMZVCRSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431010 609251395 /nfs/dbraw/zinc/25/13/95/609251395.db2.gz POJJHLAVYRYCSY-HZPDHXFCSA-N -1 3 384.440 0.950 20 0 GCADHM O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431010 609251397 /nfs/dbraw/zinc/25/13/97/609251397.db2.gz POJJHLAVYRYCSY-HZPDHXFCSA-N -1 3 384.440 0.950 20 0 GCADHM O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431008 609251483 /nfs/dbraw/zinc/25/14/83/609251483.db2.gz POJJHLAVYRYCSY-CVEARBPZSA-N -1 3 384.440 0.950 20 0 GCADHM O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431008 609251485 /nfs/dbraw/zinc/25/14/85/609251485.db2.gz POJJHLAVYRYCSY-CVEARBPZSA-N -1 3 384.440 0.950 20 0 GCADHM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826358099 609252388 /nfs/dbraw/zinc/25/23/88/609252388.db2.gz DQIXZYSWFVEEPJ-WBVHZDCISA-N -1 3 395.423 0.898 20 0 GCADHM Cn1cc(C(=O)C[C@H]2CCCN2C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826358099 609252390 /nfs/dbraw/zinc/25/23/90/609252390.db2.gz DQIXZYSWFVEEPJ-WBVHZDCISA-N -1 3 395.423 0.898 20 0 GCADHM O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826426812 609255272 /nfs/dbraw/zinc/25/52/72/609255272.db2.gz XAVSTPUQYRATIZ-BBWFWOEESA-N -1 3 383.408 0.501 20 0 GCADHM O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826426812 609255274 /nfs/dbraw/zinc/25/52/74/609255274.db2.gz XAVSTPUQYRATIZ-BBWFWOEESA-N -1 3 383.408 0.501 20 0 GCADHM COC(=O)[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(O)c1 ZINC000826104269 609257033 /nfs/dbraw/zinc/25/70/33/609257033.db2.gz SWOVSBDWSSKSJL-LSDHHAIUSA-N -1 3 383.364 0.636 20 0 GCADHM COC(=O)[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC000826104269 609257034 /nfs/dbraw/zinc/25/70/34/609257034.db2.gz SWOVSBDWSSKSJL-LSDHHAIUSA-N -1 3 383.364 0.636 20 0 GCADHM O=C(NCCCc1nnc2n1CCCC2)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826437372 609257546 /nfs/dbraw/zinc/25/75/46/609257546.db2.gz IHUBNUPNTLYPEX-INIZCTEOSA-N -1 3 382.428 0.577 20 0 GCADHM O=C(NCCCc1nnc2n1CCCC2)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826437372 609257547 /nfs/dbraw/zinc/25/75/47/609257547.db2.gz IHUBNUPNTLYPEX-INIZCTEOSA-N -1 3 382.428 0.577 20 0 GCADHM O=C(c1cccn2c(=O)[nH]nc12)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826474964 609258116 /nfs/dbraw/zinc/25/81/16/609258116.db2.gz MPGFYVQFGJHPAW-CQSZACIVSA-N -1 3 392.379 0.829 20 0 GCADHM O=C(c1cccn2c(=O)[nH]nc12)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826474964 609258117 /nfs/dbraw/zinc/25/81/17/609258117.db2.gz MPGFYVQFGJHPAW-CQSZACIVSA-N -1 3 392.379 0.829 20 0 GCADHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826333376 609259776 /nfs/dbraw/zinc/25/97/76/609259776.db2.gz FIQSCJKBUSWWJQ-NVXWUHKLSA-N -1 3 397.439 0.851 20 0 GCADHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826333376 609259778 /nfs/dbraw/zinc/25/97/78/609259778.db2.gz FIQSCJKBUSWWJQ-NVXWUHKLSA-N -1 3 397.439 0.851 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826129406 609262156 /nfs/dbraw/zinc/26/21/56/609262156.db2.gz RAOANTUHRYPVCY-HZSPNIEDSA-N -1 3 375.385 0.079 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826129406 609262157 /nfs/dbraw/zinc/26/21/57/609262157.db2.gz RAOANTUHRYPVCY-HZSPNIEDSA-N -1 3 375.385 0.079 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C(C)(C)O ZINC000824640614 609262478 /nfs/dbraw/zinc/26/24/78/609262478.db2.gz MJZRBXZFYZBFSJ-JTQLQIEISA-N -1 3 396.473 0.199 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C(C)(C)O ZINC000824640614 609262479 /nfs/dbraw/zinc/26/24/79/609262479.db2.gz MJZRBXZFYZBFSJ-JTQLQIEISA-N -1 3 396.473 0.199 20 0 GCADHM Cc1nc(SCC(=O)NCCNC(=O)N(C)C)c(-c2nnn[n-]2)c(C)c1C ZINC000826327288 609262974 /nfs/dbraw/zinc/26/29/74/609262974.db2.gz AXXCXQQPEZIHKN-UHFFFAOYSA-N -1 3 392.489 0.666 20 0 GCADHM Cc1nc(SCC(=O)NCCNC(=O)N(C)C)c(-c2nn[n-]n2)c(C)c1C ZINC000826327288 609262975 /nfs/dbraw/zinc/26/29/75/609262975.db2.gz AXXCXQQPEZIHKN-UHFFFAOYSA-N -1 3 392.489 0.666 20 0 GCADHM CCOC(=O)CN(CC(C)C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825511722 609266801 /nfs/dbraw/zinc/26/68/01/609266801.db2.gz BYXOEWGJRPLEPV-UHFFFAOYSA-N -1 3 388.428 0.644 20 0 GCADHM CCOC(=O)CN(CC(C)C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825511722 609266802 /nfs/dbraw/zinc/26/68/02/609266802.db2.gz BYXOEWGJRPLEPV-UHFFFAOYSA-N -1 3 388.428 0.644 20 0 GCADHM O=c1c2ccncc2ncn1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826501625 609269509 /nfs/dbraw/zinc/26/95/09/609269509.db2.gz ZNHVZYWWDCHQFP-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM O=c1c2ccncc2ncn1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826501625 609269512 /nfs/dbraw/zinc/26/95/12/609269512.db2.gz ZNHVZYWWDCHQFP-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000825493889 609287024 /nfs/dbraw/zinc/28/70/24/609287024.db2.gz QCGZHVUEZQEJJQ-XJKSGUPXSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC000825493889 609287025 /nfs/dbraw/zinc/28/70/25/609287025.db2.gz QCGZHVUEZQEJJQ-XJKSGUPXSA-N -1 3 389.412 0.720 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824448630 609287165 /nfs/dbraw/zinc/28/71/65/609287165.db2.gz JEDCLVWQMJFPGP-VIFPVBQESA-N -1 3 393.404 0.811 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC000826458266 609290023 /nfs/dbraw/zinc/29/00/23/609290023.db2.gz JUXDLEYRSJGKAV-SECBINFHSA-N -1 3 391.388 0.565 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000825663936 609290332 /nfs/dbraw/zinc/29/03/32/609290332.db2.gz ZZPWBJPEPPUWEV-UHFFFAOYSA-N -1 3 384.849 0.628 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000825663936 609290333 /nfs/dbraw/zinc/29/03/33/609290333.db2.gz ZZPWBJPEPPUWEV-UHFFFAOYSA-N -1 3 384.849 0.628 20 0 GCADHM C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1C(=O)CCC1=O ZINC000824046257 609291915 /nfs/dbraw/zinc/29/19/15/609291915.db2.gz RQCZONUFTUDZPH-VIFPVBQESA-N -1 3 398.358 0.668 20 0 GCADHM CN1C[C@H](NC(=O)c2cccc(COc3cccc(-c4nnn[n-]4)c3)c2)C(=O)N1 ZINC000826017176 609294632 /nfs/dbraw/zinc/29/46/32/609294632.db2.gz HTIJXWAPVSLNIW-INIZCTEOSA-N -1 3 393.407 0.521 20 0 GCADHM CN1C[C@H](NC(=O)c2cccc(COc3cccc(-c4nn[n-]n4)c3)c2)C(=O)N1 ZINC000826017176 609294634 /nfs/dbraw/zinc/29/46/34/609294634.db2.gz HTIJXWAPVSLNIW-INIZCTEOSA-N -1 3 393.407 0.521 20 0 GCADHM COC(=O)[C@H](CO)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826103127 609294751 /nfs/dbraw/zinc/29/47/51/609294751.db2.gz CWBQGYUJFPUVGI-HNNXBMFYSA-N -1 3 383.364 0.923 20 0 GCADHM COC(=O)[C@H](CO)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826103127 609294754 /nfs/dbraw/zinc/29/47/54/609294754.db2.gz CWBQGYUJFPUVGI-HNNXBMFYSA-N -1 3 383.364 0.923 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000825493933 609302130 /nfs/dbraw/zinc/30/21/30/609302130.db2.gz QYQCDLYCYKFTFE-BBRMVZONSA-N -1 3 388.428 0.753 20 0 GCADHM CCOC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCOC1 ZINC000825493746 609303861 /nfs/dbraw/zinc/30/38/61/609303861.db2.gz MYEADWMZONEWNB-RRFJBIMHSA-N -1 3 389.412 0.375 20 0 GCADHM CCOC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000825493746 609303863 /nfs/dbraw/zinc/30/38/63/609303863.db2.gz MYEADWMZONEWNB-RRFJBIMHSA-N -1 3 389.412 0.375 20 0 GCADHM CCOC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCOC1 ZINC000825493747 609304122 /nfs/dbraw/zinc/30/41/22/609304122.db2.gz MYEADWMZONEWNB-ZNMIVQPWSA-N -1 3 389.412 0.375 20 0 GCADHM CCOC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000825493747 609304124 /nfs/dbraw/zinc/30/41/24/609304124.db2.gz MYEADWMZONEWNB-ZNMIVQPWSA-N -1 3 389.412 0.375 20 0 GCADHM COCCCS(=O)(=O)NCCSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826157147 609305100 /nfs/dbraw/zinc/30/51/00/609305100.db2.gz JTSMDRLLNIAGGN-UHFFFAOYSA-N -1 3 387.491 0.322 20 0 GCADHM COCCCS(=O)(=O)NCCSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826157147 609305102 /nfs/dbraw/zinc/30/51/02/609305102.db2.gz JTSMDRLLNIAGGN-UHFFFAOYSA-N -1 3 387.491 0.322 20 0 GCADHM NC(=O)N1CCC[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1 ZINC000826392077 609312279 /nfs/dbraw/zinc/31/22/79/609312279.db2.gz MUKGXQNQYBLPDX-SNVBAGLBSA-N -1 3 399.390 0.921 20 0 GCADHM C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1CCN(C)CC1 ZINC000824047107 609312456 /nfs/dbraw/zinc/31/24/56/609312456.db2.gz XJBASLBVHVITFR-LBPRGKRZSA-N -1 3 399.434 0.766 20 0 GCADHM C[C@@H](C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)N1CCN(C)CC1 ZINC000824047107 609312457 /nfs/dbraw/zinc/31/24/57/609312457.db2.gz XJBASLBVHVITFR-LBPRGKRZSA-N -1 3 399.434 0.766 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826392227 609313366 /nfs/dbraw/zinc/31/33/66/609313366.db2.gz QZVNZOUJIKENKB-NSHDSACASA-N -1 3 385.363 0.673 20 0 GCADHM O=C(CN1CCCNC1=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826410577 609313547 /nfs/dbraw/zinc/31/35/47/609313547.db2.gz RAQRYPDANIYWBD-UHFFFAOYSA-N -1 3 385.363 0.545 20 0 GCADHM COC[C@@H](CNC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)OC ZINC000826149805 609314755 /nfs/dbraw/zinc/31/47/55/609314755.db2.gz PKDTWRUHCHTADR-GFCCVEGCSA-N -1 3 393.423 0.499 20 0 GCADHM COC[C@@H](CNC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)OC ZINC000826149805 609314756 /nfs/dbraw/zinc/31/47/56/609314756.db2.gz PKDTWRUHCHTADR-GFCCVEGCSA-N -1 3 393.423 0.499 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)N1CC[C@@H](C)C1 ZINC000826159139 609316825 /nfs/dbraw/zinc/31/68/25/609316825.db2.gz SEQGZOPPOMKFEF-CYBMUJFWSA-N -1 3 380.474 0.902 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)N1CC[C@@H](C)C1 ZINC000826159139 609316826 /nfs/dbraw/zinc/31/68/26/609316826.db2.gz SEQGZOPPOMKFEF-CYBMUJFWSA-N -1 3 380.474 0.902 20 0 GCADHM O=S(=O)(NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Cn1cncn1 ZINC000826491870 609317419 /nfs/dbraw/zinc/31/74/19/609317419.db2.gz HMTGKBSIOXHSOB-UHFFFAOYSA-N -1 3 396.436 0.985 20 0 GCADHM O=S(=O)(NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Cn1cncn1 ZINC000826491870 609317420 /nfs/dbraw/zinc/31/74/20/609317420.db2.gz HMTGKBSIOXHSOB-UHFFFAOYSA-N -1 3 396.436 0.985 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCOC1 ZINC000825492998 609318263 /nfs/dbraw/zinc/31/82/63/609318263.db2.gz JKKWFTHTEJQZKY-OCCSQVGLSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000825492998 609318265 /nfs/dbraw/zinc/31/82/65/609318265.db2.gz JKKWFTHTEJQZKY-OCCSQVGLSA-N -1 3 395.441 0.503 20 0 GCADHM CN(C)C(=O)CC1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000825839094 609318269 /nfs/dbraw/zinc/31/82/69/609318269.db2.gz FQCINKHGNCMXGP-UHFFFAOYSA-N -1 3 378.458 0.746 20 0 GCADHM CN(C)C(=O)CC1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000825839094 609318271 /nfs/dbraw/zinc/31/82/71/609318271.db2.gz FQCINKHGNCMXGP-UHFFFAOYSA-N -1 3 378.458 0.746 20 0 GCADHM COC[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)OC ZINC000826149238 609318570 /nfs/dbraw/zinc/31/85/70/609318570.db2.gz CQPARVKJINQOLH-QMMMGPOBSA-N -1 3 395.363 0.825 20 0 GCADHM COC[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)OC ZINC000826149238 609318571 /nfs/dbraw/zinc/31/85/71/609318571.db2.gz CQPARVKJINQOLH-QMMMGPOBSA-N -1 3 395.363 0.825 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826129125 609328714 /nfs/dbraw/zinc/32/87/14/609328714.db2.gz JZOOPGUECLOELY-AAEUAGOBSA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826129125 609328715 /nfs/dbraw/zinc/32/87/15/609328715.db2.gz JZOOPGUECLOELY-AAEUAGOBSA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826129191 609328720 /nfs/dbraw/zinc/32/87/20/609328720.db2.gz LYLVDPHBLFEDSV-KGLIPLIRSA-N -1 3 395.441 0.349 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826129191 609328722 /nfs/dbraw/zinc/32/87/22/609328722.db2.gz LYLVDPHBLFEDSV-KGLIPLIRSA-N -1 3 395.441 0.349 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826129714 609329733 /nfs/dbraw/zinc/32/97/33/609329733.db2.gz YYYJCCGYWRKCEC-PWSUYJOCSA-N -1 3 399.404 0.347 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826129714 609329735 /nfs/dbraw/zinc/32/97/35/609329735.db2.gz YYYJCCGYWRKCEC-PWSUYJOCSA-N -1 3 399.404 0.347 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826128520 609346234 /nfs/dbraw/zinc/34/62/34/609346234.db2.gz FLPLNZYQEZMQTA-CQDKDKBSSA-N -1 3 389.412 0.813 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826128662 609346504 /nfs/dbraw/zinc/34/65/04/609346504.db2.gz GDLFOGVWVRMAAG-BZPMIXESSA-N -1 3 389.412 0.813 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826128662 609346506 /nfs/dbraw/zinc/34/65/06/609346506.db2.gz GDLFOGVWVRMAAG-BZPMIXESSA-N -1 3 389.412 0.813 20 0 GCADHM Cc1c[nH]cc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1=O ZINC000826319119 609350536 /nfs/dbraw/zinc/35/05/36/609350536.db2.gz PAHDGYASCQCTJI-UHFFFAOYSA-N -1 3 380.412 0.657 20 0 GCADHM Cc1c[nH]cc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1=O ZINC000826319119 609350538 /nfs/dbraw/zinc/35/05/38/609350538.db2.gz PAHDGYASCQCTJI-UHFFFAOYSA-N -1 3 380.412 0.657 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000826432433 609351610 /nfs/dbraw/zinc/35/16/10/609351610.db2.gz AMKLCOYBSGTAAY-GFCCVEGCSA-N -1 3 380.355 0.827 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000826432433 609351613 /nfs/dbraw/zinc/35/16/13/609351613.db2.gz AMKLCOYBSGTAAY-GFCCVEGCSA-N -1 3 380.355 0.827 20 0 GCADHM C[C@@H]1C[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824899439 609352334 /nfs/dbraw/zinc/35/23/34/609352334.db2.gz JWKANLZDMDYVEV-NXEZZACHSA-N -1 3 384.375 0.902 20 0 GCADHM CC[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825121415 609353485 /nfs/dbraw/zinc/35/34/85/609353485.db2.gz ROCZXWCMJYVYPA-VIFPVBQESA-N -1 3 388.363 0.017 20 0 GCADHM CN1CCC[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1=O ZINC000826029153 609356409 /nfs/dbraw/zinc/35/64/09/609356409.db2.gz POPGLWSHMVTDGP-LLVKDONJSA-N -1 3 399.390 0.934 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1CCO[C@@H](CO)C1 ZINC000826458056 609360173 /nfs/dbraw/zinc/36/01/73/609360173.db2.gz ARDYGNJPYPXEPP-SNVBAGLBSA-N -1 3 388.363 0.417 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824466577 609360646 /nfs/dbraw/zinc/36/06/46/609360646.db2.gz YKIFUQPKWIFDQB-JTQLQIEISA-N -1 3 397.378 0.993 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826059991 609364155 /nfs/dbraw/zinc/36/41/55/609364155.db2.gz DQSLMUDRJYLSBL-GFCCVEGCSA-N -1 3 399.390 0.934 20 0 GCADHM CCc1cc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc(=O)[nH]1 ZINC000825694693 609367149 /nfs/dbraw/zinc/36/71/49/609367149.db2.gz ZUMQNXMDYSKVOU-UHFFFAOYSA-N -1 3 380.412 0.887 20 0 GCADHM CCc1cc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc(=O)[nH]1 ZINC000825694693 609367151 /nfs/dbraw/zinc/36/71/51/609367151.db2.gz ZUMQNXMDYSKVOU-UHFFFAOYSA-N -1 3 380.412 0.887 20 0 GCADHM CC[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825121399 609368041 /nfs/dbraw/zinc/36/80/41/609368041.db2.gz ROCZXWCMJYVYPA-SECBINFHSA-N -1 3 388.363 0.017 20 0 GCADHM COC[C@H](CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)OC ZINC000826150127 609368339 /nfs/dbraw/zinc/36/83/39/609368339.db2.gz XCMVBQFPYDVWKD-LBPRGKRZSA-N -1 3 392.416 0.370 20 0 GCADHM COC[C@H](CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)OC ZINC000826150127 609368341 /nfs/dbraw/zinc/36/83/41/609368341.db2.gz XCMVBQFPYDVWKD-LBPRGKRZSA-N -1 3 392.416 0.370 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826128285 609369088 /nfs/dbraw/zinc/36/90/88/609369088.db2.gz BGKRNRIVLJLGCT-JQWIXIFHSA-N -1 3 394.457 0.909 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826128285 609369089 /nfs/dbraw/zinc/36/90/89/609369089.db2.gz BGKRNRIVLJLGCT-JQWIXIFHSA-N -1 3 394.457 0.909 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826129211 609369120 /nfs/dbraw/zinc/36/91/20/609369120.db2.gz MESKTEUEYOUIQN-CABCVRRESA-N -1 3 388.428 0.135 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826129211 609369121 /nfs/dbraw/zinc/36/91/21/609369121.db2.gz MESKTEUEYOUIQN-CABCVRRESA-N -1 3 388.428 0.135 20 0 GCADHM CNC(=O)[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CCO1 ZINC000826061018 609387668 /nfs/dbraw/zinc/38/76/68/609387668.db2.gz YMIOAIDUOBNMLI-LBPRGKRZSA-N -1 3 375.339 0.644 20 0 GCADHM CNC(=O)[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CCO1 ZINC000826061018 609387670 /nfs/dbraw/zinc/38/76/70/609387670.db2.gz YMIOAIDUOBNMLI-LBPRGKRZSA-N -1 3 375.339 0.644 20 0 GCADHM O=C(OC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826463237 609389396 /nfs/dbraw/zinc/38/93/96/609389396.db2.gz XCEYIPZODVDRGP-WFASDCNBSA-N -1 3 391.453 0.813 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826470283 609389624 /nfs/dbraw/zinc/38/96/24/609389624.db2.gz KZOHRJPLZJLDTL-ZDUSSCGKSA-N -1 3 378.458 0.492 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826470283 609389627 /nfs/dbraw/zinc/38/96/27/609389627.db2.gz KZOHRJPLZJLDTL-ZDUSSCGKSA-N -1 3 378.458 0.492 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)cn1 ZINC000826359076 609393346 /nfs/dbraw/zinc/39/33/46/609393346.db2.gz UPBRSUDBGMGMOB-OAHLLOKOSA-N -1 3 398.427 0.559 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)cn1 ZINC000826359076 609393348 /nfs/dbraw/zinc/39/33/48/609393348.db2.gz UPBRSUDBGMGMOB-OAHLLOKOSA-N -1 3 398.427 0.559 20 0 GCADHM C[C@@H](OC(=O)c1cccc(C(N)=O)n1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824723898 609393982 /nfs/dbraw/zinc/39/39/82/609393982.db2.gz WNNSAJITQJUJEB-SECBINFHSA-N -1 3 381.352 0.545 20 0 GCADHM C[C@@H](OC(=O)c1cccc(C(N)=O)n1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824723898 609393985 /nfs/dbraw/zinc/39/39/85/609393985.db2.gz WNNSAJITQJUJEB-SECBINFHSA-N -1 3 381.352 0.545 20 0 GCADHM COC[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(=O)OC ZINC000826150335 609403835 /nfs/dbraw/zinc/40/38/35/609403835.db2.gz BISQMHQSIHIMPM-CQSZACIVSA-N -1 3 398.379 0.972 20 0 GCADHM COC[C@@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(=O)OC ZINC000826150335 609403837 /nfs/dbraw/zinc/40/38/37/609403837.db2.gz BISQMHQSIHIMPM-CQSZACIVSA-N -1 3 398.379 0.972 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000825620532 609404282 /nfs/dbraw/zinc/40/42/82/609404282.db2.gz CZGUBCVHSUUUDM-CYBMUJFWSA-N -1 3 375.389 0.244 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000825620532 609404284 /nfs/dbraw/zinc/40/42/84/609404284.db2.gz CZGUBCVHSUUUDM-CYBMUJFWSA-N -1 3 375.389 0.244 20 0 GCADHM O=C(Nc1ccncc1I)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826458681 609405621 /nfs/dbraw/zinc/40/56/21/609405621.db2.gz AUXPBTHWNNMYLZ-UHFFFAOYSA-N -1 3 381.137 0.869 20 0 GCADHM O=C(Nc1ccncc1I)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826458681 609405623 /nfs/dbraw/zinc/40/56/23/609405623.db2.gz AUXPBTHWNNMYLZ-UHFFFAOYSA-N -1 3 381.137 0.869 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000826060093 609406143 /nfs/dbraw/zinc/40/61/43/609406143.db2.gz GXRLMDHGMZLHBB-NSHDSACASA-N -1 3 399.333 0.864 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000826060093 609406144 /nfs/dbraw/zinc/40/61/44/609406144.db2.gz GXRLMDHGMZLHBB-NSHDSACASA-N -1 3 399.333 0.864 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000826060407 609406443 /nfs/dbraw/zinc/40/64/43/609406443.db2.gz MCAHUHKIHBPGGO-NSHDSACASA-N -1 3 397.342 0.447 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000826060407 609406446 /nfs/dbraw/zinc/40/64/46/609406446.db2.gz MCAHUHKIHBPGGO-NSHDSACASA-N -1 3 397.342 0.447 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000826060406 609406512 /nfs/dbraw/zinc/40/65/12/609406512.db2.gz MCAHUHKIHBPGGO-LLVKDONJSA-N -1 3 397.342 0.447 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000826060406 609406515 /nfs/dbraw/zinc/40/65/15/609406515.db2.gz MCAHUHKIHBPGGO-LLVKDONJSA-N -1 3 397.342 0.447 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)n1 ZINC000826393492 609413139 /nfs/dbraw/zinc/41/31/39/609413139.db2.gz UTPKHRXFIKGOAP-UHFFFAOYSA-N -1 3 396.386 0.462 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)n1 ZINC000826393492 609413141 /nfs/dbraw/zinc/41/31/41/609413141.db2.gz UTPKHRXFIKGOAP-UHFFFAOYSA-N -1 3 396.386 0.462 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826256512 609414854 /nfs/dbraw/zinc/41/48/54/609414854.db2.gz MXGAIVAHPHGFNQ-UHFFFAOYSA-N -1 3 385.359 0.268 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826256512 609414856 /nfs/dbraw/zinc/41/48/56/609414856.db2.gz MXGAIVAHPHGFNQ-UHFFFAOYSA-N -1 3 385.359 0.268 20 0 GCADHM Cc1nnc(S[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n(N)c1=O ZINC000826336583 609414919 /nfs/dbraw/zinc/41/49/19/609414919.db2.gz DZIZLSXZXSDMAQ-GFCCVEGCSA-N -1 3 399.440 0.128 20 0 GCADHM Cc1nnc(S[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n(N)c1=O ZINC000826336583 609414921 /nfs/dbraw/zinc/41/49/21/609414921.db2.gz DZIZLSXZXSDMAQ-GFCCVEGCSA-N -1 3 399.440 0.128 20 0 GCADHM COCCCNC(=O)CN(C)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000826156664 609431269 /nfs/dbraw/zinc/43/12/69/609431269.db2.gz OEIGXLKHMOJQNA-UHFFFAOYSA-N -1 3 398.471 0.945 20 0 GCADHM COCCCNC(=O)CN(C)Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1 ZINC000826156664 609431272 /nfs/dbraw/zinc/43/12/72/609431272.db2.gz OEIGXLKHMOJQNA-UHFFFAOYSA-N -1 3 398.471 0.945 20 0 GCADHM CC[C@@](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)(C(N)=O)C(C)C ZINC000825133796 609433743 /nfs/dbraw/zinc/43/37/43/609433743.db2.gz PXBXZGLDGRADSW-SFHVURJKSA-N -1 3 397.443 0.655 20 0 GCADHM CC[C@@](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)(C(N)=O)C(C)C ZINC000825133796 609433744 /nfs/dbraw/zinc/43/37/44/609433744.db2.gz PXBXZGLDGRADSW-SFHVURJKSA-N -1 3 397.443 0.655 20 0 GCADHM O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826480074 609438391 /nfs/dbraw/zinc/43/83/91/609438391.db2.gz QLIFUZQKZOTPLD-UONOGXRCSA-N -1 3 377.426 0.625 20 0 GCADHM O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826480074 609438394 /nfs/dbraw/zinc/43/83/94/609438394.db2.gz QLIFUZQKZOTPLD-UONOGXRCSA-N -1 3 377.426 0.625 20 0 GCADHM CCOC(=O)[C@@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000825493447 609439262 /nfs/dbraw/zinc/43/92/62/609439262.db2.gz LSYKUIFXYUKPIX-MFKMUULPSA-N -1 3 394.457 0.815 20 0 GCADHM CCOC(=O)[C@@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000825493447 609439264 /nfs/dbraw/zinc/43/92/64/609439264.db2.gz LSYKUIFXYUKPIX-MFKMUULPSA-N -1 3 394.457 0.815 20 0 GCADHM O=C(c1cccc2ncnn21)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826474403 609440362 /nfs/dbraw/zinc/44/03/62/609440362.db2.gz OIAATOBOXODFPR-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM O=C(c1cccc2ncnn21)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826474403 609440364 /nfs/dbraw/zinc/44/03/64/609440364.db2.gz OIAATOBOXODFPR-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM Cn1cnn(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)CC(F)(F)F)c1=O ZINC000826365455 609442952 /nfs/dbraw/zinc/44/29/52/609442952.db2.gz OTRUVKNNWXMVQY-UHFFFAOYSA-N -1 3 396.333 0.353 20 0 GCADHM Cn1cnn(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)CC(F)(F)F)c1=O ZINC000826365455 609442955 /nfs/dbraw/zinc/44/29/55/609442955.db2.gz OTRUVKNNWXMVQY-UHFFFAOYSA-N -1 3 396.333 0.353 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H](Cn2cncn2)C1 ZINC000826495228 609447889 /nfs/dbraw/zinc/44/78/89/609447889.db2.gz HUWXZSMHCRCKAL-LLVKDONJSA-N -1 3 392.420 0.698 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000824039797 609459048 /nfs/dbraw/zinc/45/90/48/609459048.db2.gz HWJMUMPZZIHTTL-LBPRGKRZSA-N -1 3 381.444 0.304 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000824039797 609459049 /nfs/dbraw/zinc/45/90/49/609459049.db2.gz HWJMUMPZZIHTTL-LBPRGKRZSA-N -1 3 381.444 0.304 20 0 GCADHM CCS(=O)(=O)N1CCC(Nc2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000825663923 609459816 /nfs/dbraw/zinc/45/98/16/609459816.db2.gz ZXRHXJCCGVAWSQ-UHFFFAOYSA-N -1 3 376.446 0.740 20 0 GCADHM CCS(=O)(=O)N1CCC(Nc2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000825663923 609459818 /nfs/dbraw/zinc/45/98/18/609459818.db2.gz ZXRHXJCCGVAWSQ-UHFFFAOYSA-N -1 3 376.446 0.740 20 0 GCADHM COC(=O)[C@H]1CC(=O)N(CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000826129709 609462232 /nfs/dbraw/zinc/46/22/32/609462232.db2.gz YWXJLUVTMZDSGD-GJZGRUSLSA-N -1 3 386.412 0.219 20 0 GCADHM COC(=O)[C@H]1CC(=O)N(CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000826129709 609462234 /nfs/dbraw/zinc/46/22/34/609462234.db2.gz YWXJLUVTMZDSGD-GJZGRUSLSA-N -1 3 386.412 0.219 20 0 GCADHM CN1CC[C@@H](C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826022357 609462507 /nfs/dbraw/zinc/46/25/07/609462507.db2.gz KTHGTKSJAHBVBC-UKRRQHHQSA-N -1 3 398.423 0.774 20 0 GCADHM CN1CC[C@@H](C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826022357 609462509 /nfs/dbraw/zinc/46/25/09/609462509.db2.gz KTHGTKSJAHBVBC-UKRRQHHQSA-N -1 3 398.423 0.774 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826129663 609466781 /nfs/dbraw/zinc/46/67/81/609466781.db2.gz XZCUDHVBPZLIKN-MCIONIFRSA-N -1 3 385.380 0.714 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826129663 609466782 /nfs/dbraw/zinc/46/67/82/609466782.db2.gz XZCUDHVBPZLIKN-MCIONIFRSA-N -1 3 385.380 0.714 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826129662 609467077 /nfs/dbraw/zinc/46/70/77/609467077.db2.gz XZCUDHVBPZLIKN-HZSPNIEDSA-N -1 3 385.380 0.714 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826129662 609467079 /nfs/dbraw/zinc/46/70/79/609467079.db2.gz XZCUDHVBPZLIKN-HZSPNIEDSA-N -1 3 385.380 0.714 20 0 GCADHM COCCOCCC(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826161186 609467245 /nfs/dbraw/zinc/46/72/45/609467245.db2.gz XDOSQNABEIZRIG-OAHLLOKOSA-N -1 3 389.412 0.958 20 0 GCADHM COCCOCCC(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826161186 609467247 /nfs/dbraw/zinc/46/72/47/609467247.db2.gz XDOSQNABEIZRIG-OAHLLOKOSA-N -1 3 389.412 0.958 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826321852 609468687 /nfs/dbraw/zinc/46/86/87/609468687.db2.gz RRPXUMIMDROCMX-CYBMUJFWSA-N -1 3 383.416 0.614 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826321852 609468689 /nfs/dbraw/zinc/46/86/89/609468689.db2.gz RRPXUMIMDROCMX-CYBMUJFWSA-N -1 3 383.416 0.614 20 0 GCADHM CCCNC(=O)NC(=O)CNc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825332977 609485054 /nfs/dbraw/zinc/48/50/54/609485054.db2.gz OLDBWEGRJAYUKC-UHFFFAOYSA-N -1 3 377.405 0.540 20 0 GCADHM CCCNC(=O)NC(=O)CNc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825332977 609485056 /nfs/dbraw/zinc/48/50/56/609485056.db2.gz OLDBWEGRJAYUKC-UHFFFAOYSA-N -1 3 377.405 0.540 20 0 GCADHM C[C@H](O)c1cn(C2CN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)nn1 ZINC000824708590 609490171 /nfs/dbraw/zinc/49/01/71/609490171.db2.gz YXBALTQKKUZZCR-ZETCQYMHSA-N -1 3 381.322 0.987 20 0 GCADHM C[C@H](O)c1cn(C2CN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)nn1 ZINC000824708590 609490172 /nfs/dbraw/zinc/49/01/72/609490172.db2.gz YXBALTQKKUZZCR-ZETCQYMHSA-N -1 3 381.322 0.987 20 0 GCADHM COCc1nc([C@H]2COCCN2Cc2ccc(OC)c(-c3nnn[n-]3)c2)no1 ZINC000826165250 609494676 /nfs/dbraw/zinc/49/46/76/609494676.db2.gz MAUZDCMZDXARFQ-CYBMUJFWSA-N -1 3 387.400 0.978 20 0 GCADHM COCc1nc([C@H]2COCCN2Cc2ccc(OC)c(-c3nn[n-]n3)c2)no1 ZINC000826165250 609494678 /nfs/dbraw/zinc/49/46/78/609494678.db2.gz MAUZDCMZDXARFQ-CYBMUJFWSA-N -1 3 387.400 0.978 20 0 GCADHM O=S(=O)([C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)N1CCOCC1 ZINC000826483906 609495367 /nfs/dbraw/zinc/49/53/67/609495367.db2.gz FOZOGKOUJWVHCV-CYBMUJFWSA-N -1 3 398.514 0.555 20 0 GCADHM O=S(=O)([C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)s2)C1)N1CCOCC1 ZINC000826483906 609495369 /nfs/dbraw/zinc/49/53/69/609495369.db2.gz FOZOGKOUJWVHCV-CYBMUJFWSA-N -1 3 398.514 0.555 20 0 GCADHM O=S(=O)([C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)o2)C1)N1CCOCC1 ZINC000826484046 609495564 /nfs/dbraw/zinc/49/55/64/609495564.db2.gz LHUXZWGIPLWUNF-CYBMUJFWSA-N -1 3 382.446 0.086 20 0 GCADHM O=S(=O)([C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)o2)C1)N1CCOCC1 ZINC000826484046 609495566 /nfs/dbraw/zinc/49/55/66/609495566.db2.gz LHUXZWGIPLWUNF-CYBMUJFWSA-N -1 3 382.446 0.086 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)no1 ZINC000826325191 609497503 /nfs/dbraw/zinc/49/75/03/609497503.db2.gz QGRQLUGDTPLIFR-GFCCVEGCSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)no1 ZINC000826325191 609497504 /nfs/dbraw/zinc/49/75/04/609497504.db2.gz QGRQLUGDTPLIFR-GFCCVEGCSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)Cc1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC000826337508 609497808 /nfs/dbraw/zinc/49/78/08/609497808.db2.gz RBMKKPFLZCZFJE-LBPRGKRZSA-N -1 3 392.420 0.340 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC000826337508 609497810 /nfs/dbraw/zinc/49/78/10/609497810.db2.gz RBMKKPFLZCZFJE-LBPRGKRZSA-N -1 3 392.420 0.340 20 0 GCADHM Cn1ccnc1CNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826364297 609497961 /nfs/dbraw/zinc/49/79/61/609497961.db2.gz QZNCWLXWFKVEDV-UHFFFAOYSA-N -1 3 398.246 0.841 20 0 GCADHM Cn1ccnc1CNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826364297 609497962 /nfs/dbraw/zinc/49/79/62/609497962.db2.gz QZNCWLXWFKVEDV-UHFFFAOYSA-N -1 3 398.246 0.841 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2ccccc2-c2nnn[n-]2)no1 ZINC000826325222 609498149 /nfs/dbraw/zinc/49/81/49/609498149.db2.gz REUZOYFEEVOEMM-NSHDSACASA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2ccccc2-c2nn[n-]n2)no1 ZINC000826325222 609498152 /nfs/dbraw/zinc/49/81/52/609498152.db2.gz REUZOYFEEVOEMM-NSHDSACASA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CC2 ZINC000669632508 609498262 /nfs/dbraw/zinc/49/82/62/609498262.db2.gz JACVRKZPMLRPDF-VIFPVBQESA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CC2 ZINC000669632508 609498264 /nfs/dbraw/zinc/49/82/64/609498264.db2.gz JACVRKZPMLRPDF-VIFPVBQESA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000826337257 609498323 /nfs/dbraw/zinc/49/83/23/609498323.db2.gz IMCQFONPXDKGDY-SNVBAGLBSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000826337257 609498325 /nfs/dbraw/zinc/49/83/25/609498325.db2.gz IMCQFONPXDKGDY-SNVBAGLBSA-N -1 3 394.848 0.713 20 0 GCADHM CCc1nnc2n1C[C@H](NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1)CC2 ZINC000825771794 609499545 /nfs/dbraw/zinc/49/95/45/609499545.db2.gz RYOOPHFXPLVMRW-LLVKDONJSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nnc2n1C[C@H](NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1)CC2 ZINC000825771794 609499548 /nfs/dbraw/zinc/49/95/48/609499548.db2.gz RYOOPHFXPLVMRW-LLVKDONJSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1C)CC2 ZINC000825771891 609499646 /nfs/dbraw/zinc/49/96/46/609499646.db2.gz UVSLYEQRYCSAGY-LBPRGKRZSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1C)CC2 ZINC000825771891 609499649 /nfs/dbraw/zinc/49/96/49/609499649.db2.gz UVSLYEQRYCSAGY-LBPRGKRZSA-N -1 3 388.457 0.622 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000825883397 609500733 /nfs/dbraw/zinc/50/07/33/609500733.db2.gz GMTRBQQDQIQDCH-OAHLLOKOSA-N -1 3 380.412 0.936 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000825883397 609500736 /nfs/dbraw/zinc/50/07/36/609500736.db2.gz GMTRBQQDQIQDCH-OAHLLOKOSA-N -1 3 380.412 0.936 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)c2sccc2-c2nnn[n-]2)no1 ZINC000826165196 609502731 /nfs/dbraw/zinc/50/27/31/609502731.db2.gz JPGREOCUDMPABI-VIFPVBQESA-N -1 3 377.386 0.671 20 0 GCADHM COCc1nc([C@@H]2COCCN2C(=O)c2sccc2-c2nn[n-]n2)no1 ZINC000826165196 609502732 /nfs/dbraw/zinc/50/27/32/609502732.db2.gz JPGREOCUDMPABI-VIFPVBQESA-N -1 3 377.386 0.671 20 0 GCADHM COCc1nc([C@H]2COCCN2C(=O)c2cc(-c3nnn[n-]3)cs2)no1 ZINC000826165197 609502856 /nfs/dbraw/zinc/50/28/56/609502856.db2.gz JQRMIUICNAZVLE-SECBINFHSA-N -1 3 377.386 0.671 20 0 GCADHM COCc1nc([C@H]2COCCN2C(=O)c2cc(-c3nn[n-]n3)cs2)no1 ZINC000826165197 609502859 /nfs/dbraw/zinc/50/28/59/609502859.db2.gz JQRMIUICNAZVLE-SECBINFHSA-N -1 3 377.386 0.671 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)no1 ZINC000826325274 609503803 /nfs/dbraw/zinc/50/38/03/609503803.db2.gz SLWOUGCXOMQTFW-GWCFXTLKSA-N -1 3 385.384 0.926 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)no1 ZINC000826325274 609503805 /nfs/dbraw/zinc/50/38/05/609503805.db2.gz SLWOUGCXOMQTFW-GWCFXTLKSA-N -1 3 385.384 0.926 20 0 GCADHM O=C(NC[C@@H]1CCCO1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826435574 609509363 /nfs/dbraw/zinc/50/93/63/609509363.db2.gz RDVNDWSYZWLZAS-LSDHHAIUSA-N -1 3 385.428 0.840 20 0 GCADHM O=C(NC[C@@H]1CCCO1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826435574 609509366 /nfs/dbraw/zinc/50/93/66/609509366.db2.gz RDVNDWSYZWLZAS-LSDHHAIUSA-N -1 3 385.428 0.840 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)NCCCOC[C@@H]1CCCO1 ZINC000826485877 609513597 /nfs/dbraw/zinc/51/35/97/609513597.db2.gz GOBMCUISXVPQHG-HNNXBMFYSA-N -1 3 381.458 0.872 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)NCCCOC[C@@H]1CCCO1 ZINC000826485877 609513601 /nfs/dbraw/zinc/51/36/01/609513601.db2.gz GOBMCUISXVPQHG-HNNXBMFYSA-N -1 3 381.458 0.872 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCCNC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259596 609528340 /nfs/dbraw/zinc/52/83/40/609528340.db2.gz XCSFBNDQISZZOK-CQSZACIVSA-N -1 3 380.412 0.759 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCCCNC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259596 609528342 /nfs/dbraw/zinc/52/83/42/609528342.db2.gz XCSFBNDQISZZOK-CQSZACIVSA-N -1 3 380.412 0.759 20 0 GCADHM CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000823987747 609537978 /nfs/dbraw/zinc/53/79/78/609537978.db2.gz BNDMCWVMRHWXFE-NSHDSACASA-N -1 3 384.849 0.809 20 0 GCADHM CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000823987747 609537980 /nfs/dbraw/zinc/53/79/80/609537980.db2.gz BNDMCWVMRHWXFE-NSHDSACASA-N -1 3 384.849 0.809 20 0 GCADHM CC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000823988162 609542712 /nfs/dbraw/zinc/54/27/12/609542712.db2.gz DJXRLFRCTAHMHP-UHFFFAOYSA-N -1 3 384.849 0.809 20 0 GCADHM CC(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000823988162 609542714 /nfs/dbraw/zinc/54/27/14/609542714.db2.gz DJXRLFRCTAHMHP-UHFFFAOYSA-N -1 3 384.849 0.809 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1Cl)C2 ZINC000825771035 609545966 /nfs/dbraw/zinc/54/59/66/609545966.db2.gz HNNQYDNYESXGPU-UHFFFAOYSA-N -1 3 394.848 0.879 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1Cl)C2 ZINC000825771035 609545968 /nfs/dbraw/zinc/54/59/68/609545968.db2.gz HNNQYDNYESXGPU-UHFFFAOYSA-N -1 3 394.848 0.879 20 0 GCADHM CCn1cnnc1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825804710 609547215 /nfs/dbraw/zinc/54/72/15/609547215.db2.gz DYAUZPIXXMKRCM-UHFFFAOYSA-N -1 3 382.837 0.653 20 0 GCADHM CCn1cnnc1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825804710 609547217 /nfs/dbraw/zinc/54/72/17/609547217.db2.gz DYAUZPIXXMKRCM-UHFFFAOYSA-N -1 3 382.837 0.653 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826389977 609548354 /nfs/dbraw/zinc/54/83/54/609548354.db2.gz MRDZDFPZVJRKEC-WPRPVWTQSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826389977 609548355 /nfs/dbraw/zinc/54/83/55/609548355.db2.gz MRDZDFPZVJRKEC-WPRPVWTQSA-N -1 3 384.849 0.843 20 0 GCADHM CSC[C@H](CCO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826228754 609550537 /nfs/dbraw/zinc/55/05/37/609550537.db2.gz YWYIWGYTTYQMRT-VIFPVBQESA-N -1 3 377.879 0.912 20 0 GCADHM CSC[C@H](CCO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826228754 609550539 /nfs/dbraw/zinc/55/05/39/609550539.db2.gz YWYIWGYTTYQMRT-VIFPVBQESA-N -1 3 377.879 0.912 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824440640 609554768 /nfs/dbraw/zinc/55/47/68/609554768.db2.gz HQQPZFAMXZKWTN-GXSJLCMTSA-N -1 3 387.849 0.992 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824440640 609554771 /nfs/dbraw/zinc/55/47/71/609554771.db2.gz HQQPZFAMXZKWTN-GXSJLCMTSA-N -1 3 387.849 0.992 20 0 GCADHM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826389640 609555070 /nfs/dbraw/zinc/55/50/70/609555070.db2.gz DHUASFVCFDVVPZ-GXSJLCMTSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826389640 609555073 /nfs/dbraw/zinc/55/50/73/609555073.db2.gz DHUASFVCFDVVPZ-GXSJLCMTSA-N -1 3 384.849 0.843 20 0 GCADHM Cc1nc2n(n1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1Cl)C2 ZINC000826329072 609556194 /nfs/dbraw/zinc/55/61/94/609556194.db2.gz PFKGMBFWRSUQEV-UHFFFAOYSA-N -1 3 380.821 0.625 20 0 GCADHM Cc1nc2n(n1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1Cl)C2 ZINC000826329072 609556197 /nfs/dbraw/zinc/55/61/97/609556197.db2.gz PFKGMBFWRSUQEV-UHFFFAOYSA-N -1 3 380.821 0.625 20 0 GCADHM COCCN(CCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000826158230 609556231 /nfs/dbraw/zinc/55/62/31/609556231.db2.gz GPDKQHHENYTUDK-AWEZNQCLSA-N -1 3 381.458 0.381 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)[C@H](C)C1 ZINC000823980550 609557312 /nfs/dbraw/zinc/55/73/12/609557312.db2.gz FJAAWIIUEYWMBK-SECBINFHSA-N -1 3 384.849 0.761 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)[C@H](C)C1 ZINC000823980550 609557314 /nfs/dbraw/zinc/55/73/14/609557314.db2.gz FJAAWIIUEYWMBK-SECBINFHSA-N -1 3 384.849 0.761 20 0 GCADHM O=C1OC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)CCN12 ZINC000826483086 609558640 /nfs/dbraw/zinc/55/86/40/609558640.db2.gz ACLKGDNORVTRBG-VIFPVBQESA-N -1 3 384.805 0.345 20 0 GCADHM O=C1OC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)CCN12 ZINC000826483086 609558642 /nfs/dbraw/zinc/55/86/42/609558642.db2.gz ACLKGDNORVTRBG-VIFPVBQESA-N -1 3 384.805 0.345 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)[C@H]1CN(C)CCO1 ZINC000824641627 609559499 /nfs/dbraw/zinc/55/94/99/609559499.db2.gz XUFSOEYHWQHSJG-JOYOIKCWSA-N -1 3 386.865 0.518 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CN(C)CCO1 ZINC000824641627 609559500 /nfs/dbraw/zinc/55/95/00/609559500.db2.gz XUFSOEYHWQHSJG-JOYOIKCWSA-N -1 3 386.865 0.518 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000824641626 609559628 /nfs/dbraw/zinc/55/96/28/609559628.db2.gz XUFSOEYHWQHSJG-CABZTGNLSA-N -1 3 386.865 0.518 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CN(C)CCO1 ZINC000824641626 609559630 /nfs/dbraw/zinc/55/96/30/609559630.db2.gz XUFSOEYHWQHSJG-CABZTGNLSA-N -1 3 386.865 0.518 20 0 GCADHM CCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825464923 609560696 /nfs/dbraw/zinc/56/06/96/609560696.db2.gz FEWGXEPUNZLQGA-UHFFFAOYSA-N -1 3 386.865 0.961 20 0 GCADHM CCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825464923 609560698 /nfs/dbraw/zinc/56/06/98/609560698.db2.gz FEWGXEPUNZLQGA-UHFFFAOYSA-N -1 3 386.865 0.961 20 0 GCADHM O=S(=O)(NCC1(CO)CCOCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826490195 609561048 /nfs/dbraw/zinc/56/10/48/609561048.db2.gz MJOQTQMIJAOPFN-UHFFFAOYSA-N -1 3 387.849 0.588 20 0 GCADHM O=S(=O)(NCC1(CO)CCOCC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826490195 609561050 /nfs/dbraw/zinc/56/10/50/609561050.db2.gz MJOQTQMIJAOPFN-UHFFFAOYSA-N -1 3 387.849 0.588 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826067802 609562506 /nfs/dbraw/zinc/56/25/06/609562506.db2.gz KYSVXXGLXASZJB-NSHDSACASA-N -1 3 386.865 0.959 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826067802 609562507 /nfs/dbraw/zinc/56/25/07/609562507.db2.gz KYSVXXGLXASZJB-NSHDSACASA-N -1 3 386.865 0.959 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826279126 609571278 /nfs/dbraw/zinc/57/12/78/609571278.db2.gz GLRCCIRAALGABO-CABCVRRESA-N -1 3 392.485 0.395 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826279126 609571280 /nfs/dbraw/zinc/57/12/80/609571280.db2.gz GLRCCIRAALGABO-CABCVRRESA-N -1 3 392.485 0.395 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826495652 609572110 /nfs/dbraw/zinc/57/21/10/609572110.db2.gz VWXGEOPSDRCPOG-CABCVRRESA-N -1 3 378.458 0.086 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826495652 609572113 /nfs/dbraw/zinc/57/21/13/609572113.db2.gz VWXGEOPSDRCPOG-CABCVRRESA-N -1 3 378.458 0.086 20 0 GCADHM CN(C)c1ncc(CN(C)S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000825883773 609573914 /nfs/dbraw/zinc/57/39/14/609573914.db2.gz NCAHWINWXLZYIF-UHFFFAOYSA-N -1 3 392.420 0.683 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258844 609579066 /nfs/dbraw/zinc/57/90/66/609579066.db2.gz YZZRNQLPNKMVTN-DYVFJYSZSA-N -1 3 396.455 0.810 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258844 609579067 /nfs/dbraw/zinc/57/90/67/609579067.db2.gz YZZRNQLPNKMVTN-DYVFJYSZSA-N -1 3 396.455 0.810 20 0 GCADHM Cc1ccnc(N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1-c1nnn[n-]1 ZINC000826312043 609581944 /nfs/dbraw/zinc/58/19/44/609581944.db2.gz UPCGEKFSLPVHTA-AWEZNQCLSA-N -1 3 394.439 0.585 20 0 GCADHM Cc1ccnc(N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1-c1nn[n-]n1 ZINC000826312043 609581946 /nfs/dbraw/zinc/58/19/46/609581946.db2.gz UPCGEKFSLPVHTA-AWEZNQCLSA-N -1 3 394.439 0.585 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2c[nH]cn2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476893 609588103 /nfs/dbraw/zinc/58/81/03/609588103.db2.gz RFAZONJVUMWUSZ-LBPRGKRZSA-N -1 3 388.413 0.064 20 0 GCADHM Cc1noc(CNC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826340346 609606402 /nfs/dbraw/zinc/60/64/02/609606402.db2.gz UKFNJVHSTYMQJZ-CYBMUJFWSA-N -1 3 397.399 0.553 20 0 GCADHM Cc1noc(CNC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826340346 609606404 /nfs/dbraw/zinc/60/64/04/609606404.db2.gz UKFNJVHSTYMQJZ-CYBMUJFWSA-N -1 3 397.399 0.553 20 0 GCADHM Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3cc(-c4nnn[n-]4)c[nH]3)no2)cn1 ZINC000826356154 609607076 /nfs/dbraw/zinc/60/70/76/609607076.db2.gz CWIVIYWKXRAVNE-GFCCVEGCSA-N -1 3 396.371 0.192 20 0 GCADHM Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3cc(-c4nn[n-]n4)c[nH]3)no2)cn1 ZINC000826356154 609607079 /nfs/dbraw/zinc/60/70/79/609607079.db2.gz CWIVIYWKXRAVNE-GFCCVEGCSA-N -1 3 396.371 0.192 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cnn1C ZINC000826234481 609608202 /nfs/dbraw/zinc/60/82/02/609608202.db2.gz YMVFUFCWTMNCKU-OAHLLOKOSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cnn1C ZINC000826234481 609608203 /nfs/dbraw/zinc/60/82/03/609608203.db2.gz YMVFUFCWTMNCKU-OAHLLOKOSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cnn1C ZINC000826234480 609608262 /nfs/dbraw/zinc/60/82/62/609608262.db2.gz YMVFUFCWTMNCKU-HNNXBMFYSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cnn1C ZINC000826234480 609608265 /nfs/dbraw/zinc/60/82/65/609608265.db2.gz YMVFUFCWTMNCKU-HNNXBMFYSA-N -1 3 380.412 0.834 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C(C)C ZINC000823989222 609609975 /nfs/dbraw/zinc/60/99/75/609609975.db2.gz QHVZOFCRHGDOHN-JKSUJKDBSA-N -1 3 399.455 0.639 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C(C)C ZINC000823989222 609609977 /nfs/dbraw/zinc/60/99/77/609609977.db2.gz QHVZOFCRHGDOHN-JKSUJKDBSA-N -1 3 399.455 0.639 20 0 GCADHM COCCCOCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826156827 609610305 /nfs/dbraw/zinc/61/03/05/609610305.db2.gz VOHDIRZTLJHSOJ-OAHLLOKOSA-N -1 3 388.428 0.531 20 0 GCADHM COCCCOCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826156827 609610306 /nfs/dbraw/zinc/61/03/06/609610306.db2.gz VOHDIRZTLJHSOJ-OAHLLOKOSA-N -1 3 388.428 0.531 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826404479 609610851 /nfs/dbraw/zinc/61/08/51/609610851.db2.gz BUFBLVGGEKDJBK-SMDDNHRTSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826404479 609610853 /nfs/dbraw/zinc/61/08/53/609610853.db2.gz BUFBLVGGEKDJBK-SMDDNHRTSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826404477 609610937 /nfs/dbraw/zinc/61/09/37/609610937.db2.gz BUFBLVGGEKDJBK-FZMZJTMJSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826404477 609610939 /nfs/dbraw/zinc/61/09/39/609610939.db2.gz BUFBLVGGEKDJBK-FZMZJTMJSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000826417235 609611069 /nfs/dbraw/zinc/61/10/69/609611069.db2.gz JMUALPDTHZIWCD-MRXNPFEDSA-N -1 3 393.407 0.952 20 0 GCADHM O=C(CNC(=O)C1CC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826411903 609611105 /nfs/dbraw/zinc/61/11/05/609611105.db2.gz RNOMLKDMBCZWAQ-CQSZACIVSA-N -1 3 383.412 0.005 20 0 GCADHM O=C(CNC(=O)C1CC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826411903 609611107 /nfs/dbraw/zinc/61/11/07/609611107.db2.gz RNOMLKDMBCZWAQ-CQSZACIVSA-N -1 3 383.412 0.005 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H]2CCCCS2(=O)=O)cc1-c1nnn[n-]1 ZINC000826199646 609611192 /nfs/dbraw/zinc/61/11/92/609611192.db2.gz HCYRJHAFHVRVBU-LBPRGKRZSA-N -1 3 394.457 0.642 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H]2CCCCS2(=O)=O)cc1-c1nn[n-]n1 ZINC000826199646 609611194 /nfs/dbraw/zinc/61/11/94/609611194.db2.gz HCYRJHAFHVRVBU-LBPRGKRZSA-N -1 3 394.457 0.642 20 0 GCADHM O=C(CCN1CCCC1=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826407270 609611248 /nfs/dbraw/zinc/61/12/48/609611248.db2.gz HHNXVFXHIBUCOO-OAHLLOKOSA-N -1 3 397.439 0.491 20 0 GCADHM O=C(CCN1CCCC1=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826407270 609611250 /nfs/dbraw/zinc/61/12/50/609611250.db2.gz HHNXVFXHIBUCOO-OAHLLOKOSA-N -1 3 397.439 0.491 20 0 GCADHM Cn1cc(CCC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826360782 609611254 /nfs/dbraw/zinc/61/12/54/609611254.db2.gz XZMGJNPVOABVLZ-INIZCTEOSA-N -1 3 394.439 0.845 20 0 GCADHM Cn1cc(CCC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826360782 609611255 /nfs/dbraw/zinc/61/12/55/609611255.db2.gz XZMGJNPVOABVLZ-INIZCTEOSA-N -1 3 394.439 0.845 20 0 GCADHM Cn1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826363063 609617653 /nfs/dbraw/zinc/61/76/53/609617653.db2.gz VJJXNUWDUUXWHK-OAHLLOKOSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1ccc(CNC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826363063 609617654 /nfs/dbraw/zinc/61/76/54/609617654.db2.gz VJJXNUWDUUXWHK-OAHLLOKOSA-N -1 3 395.427 0.595 20 0 GCADHM Cc1nnc(CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)s1 ZINC000826335313 609620713 /nfs/dbraw/zinc/62/07/13/609620713.db2.gz IOXNTDCLZOUFHW-UHFFFAOYSA-N -1 3 386.445 0.453 20 0 GCADHM Cc1nnc(CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)s1 ZINC000826335313 609620714 /nfs/dbraw/zinc/62/07/14/609620714.db2.gz IOXNTDCLZOUFHW-UHFFFAOYSA-N -1 3 386.445 0.453 20 0 GCADHM CCC1N=NC(=S)N1CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825771019 609621036 /nfs/dbraw/zinc/62/10/36/609621036.db2.gz HHQNNGPYBZZNAI-UHFFFAOYSA-N -1 3 387.429 0.064 20 0 GCADHM CCC1N=NC(=S)N1CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825771019 609621038 /nfs/dbraw/zinc/62/10/38/609621038.db2.gz HHQNNGPYBZZNAI-UHFFFAOYSA-N -1 3 387.429 0.064 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)CCO2)no1 ZINC000826325020 609621740 /nfs/dbraw/zinc/62/17/40/609621740.db2.gz LPOCYLAAJYICRN-ZDUSSCGKSA-N -1 3 398.383 0.405 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)CCO2)no1 ZINC000826325020 609621741 /nfs/dbraw/zinc/62/17/41/609621741.db2.gz LPOCYLAAJYICRN-ZDUSSCGKSA-N -1 3 398.383 0.405 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCN2C(=S)N=NC2C)c1-c1nnn[n-]1 ZINC000826299194 609621876 /nfs/dbraw/zinc/62/18/76/609621876.db2.gz VAMJOBBTNUGNMI-UHFFFAOYSA-N -1 3 387.429 0.119 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCN2C(=S)N=NC2C)c1-c1nn[n-]n1 ZINC000826299194 609621877 /nfs/dbraw/zinc/62/18/77/609621877.db2.gz VAMJOBBTNUGNMI-UHFFFAOYSA-N -1 3 387.429 0.119 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)[C@H](C(=O)OC)C1 ZINC000826133772 609624595 /nfs/dbraw/zinc/62/45/95/609624595.db2.gz PLNXHFLUHZYIDJ-JVCLFCCPSA-N -1 3 399.407 0.833 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)[C@H](C(=O)OC)C1 ZINC000826133772 609624596 /nfs/dbraw/zinc/62/45/96/609624596.db2.gz PLNXHFLUHZYIDJ-JVCLFCCPSA-N -1 3 399.407 0.833 20 0 GCADHM COc1ccccc1CNC(=O)COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826219644 609628345 /nfs/dbraw/zinc/62/83/45/609628345.db2.gz LCOLYZVJPVEOIB-QGZVFWFLSA-N -1 3 397.391 0.768 20 0 GCADHM COc1ccccc1CNC(=O)COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826219644 609628346 /nfs/dbraw/zinc/62/83/46/609628346.db2.gz 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ZINC000126787515 1197358922 /nfs/dbraw/zinc/35/89/22/1197358922.db2.gz AXTVCOQEFSZKSV-GFCCVEGCSA-N -1 3 381.433 0.878 20 0 GCADHM CNS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001299197620 1197359498 /nfs/dbraw/zinc/35/94/98/1197359498.db2.gz BKIQTPQCPQUIFG-UHFFFAOYSA-N -1 3 383.409 0.121 20 0 GCADHM CNS(=O)(=O)N1CCC(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001299197620 1197359502 /nfs/dbraw/zinc/35/95/02/1197359502.db2.gz BKIQTPQCPQUIFG-UHFFFAOYSA-N -1 3 383.409 0.121 20 0 GCADHM C[C@@H](NC(=O)c1ccnc(S(C)(=O)=O)n1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827958 1197362141 /nfs/dbraw/zinc/36/21/41/1197362141.db2.gz UOCYTHGQIRLAHV-NXEZZACHSA-N -1 3 393.425 0.374 20 0 GCADHM C[C@H](NC(=O)c1ccnc(S(C)(=O)=O)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827960 1197362160 /nfs/dbraw/zinc/36/21/60/1197362160.db2.gz UOCYTHGQIRLAHV-UWVGGRQHSA-N -1 3 393.425 0.374 20 0 GCADHM COC(=O)c1csc(S(=O)(=O)[N-][C@H](Cc2ccncc2)C(=O)OC)c1 ZINC001211973926 1197404121 /nfs/dbraw/zinc/40/41/21/1197404121.db2.gz SKBOFVQKWSUXHL-GFCCVEGCSA-N -1 3 384.435 0.992 20 0 GCADHM CO[C@H]1COCC[C@H]1CNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000455309839 1197455037 /nfs/dbraw/zinc/45/50/37/1197455037.db2.gz LQYQCNKROGONSC-YOEHRIQHSA-N -1 3 377.441 0.911 20 0 GCADHM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000069741907 1197469222 /nfs/dbraw/zinc/46/92/22/1197469222.db2.gz RHYKOJICGXIGJN-MRXNPFEDSA-N -1 3 387.484 0.753 20 0 GCADHM COC[C@H](CCO)NC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000533705112 1197469988 /nfs/dbraw/zinc/46/99/88/1197469988.db2.gz KEMGXTNOCSJRDP-ZDUSSCGKSA-N -1 3 389.474 0.396 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC001212028768 1197475014 /nfs/dbraw/zinc/47/50/14/1197475014.db2.gz POCPZWPTVXILFW-GUYCJALGSA-N -1 3 379.438 0.949 20 0 GCADHM NCC(=O)N[C@@H](CCC(=O)[O-])c1nc(-c2ccccc2N2CCOCC2)no1 ZINC001212016913 1197475054 /nfs/dbraw/zinc/47/50/54/1197475054.db2.gz OPBFCHNFXFTAKZ-ZDUSSCGKSA-N -1 3 389.412 0.554 20 0 GCADHM NCC(=O)N[C@@H](CCC(=O)[O-])c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC001212016770 1197475101 /nfs/dbraw/zinc/47/51/01/1197475101.db2.gz HVNJHEZFNYCKFY-AWEZNQCLSA-N -1 3 389.412 0.554 20 0 GCADHM CC[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001746209787 1197478399 /nfs/dbraw/zinc/47/83/99/1197478399.db2.gz VNOGYQTVXXPAJT-XOUADPBQSA-N -1 3 376.457 0.920 20 0 GCADHM C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000614916220 1197487485 /nfs/dbraw/zinc/48/74/85/1197487485.db2.gz VSBIJLQNMAHAAM-HNNXBMFYSA-N -1 3 388.346 0.390 20 0 GCADHM CC(=O)c1ccc(S(=O)(=O)CC(=O)NCCCc2cc(=O)[nH][n-]2)cc1F ZINC000614921104 1197487728 /nfs/dbraw/zinc/48/77/28/1197487728.db2.gz MLNIGCBJTKQNBD-UHFFFAOYSA-N -1 3 383.401 0.574 20 0 GCADHM COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000614920975 1197487992 /nfs/dbraw/zinc/48/79/92/1197487992.db2.gz JYJFYZRHFDCVET-LBPRGKRZSA-N -1 3 381.454 0.877 20 0 GCADHM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCc2cc(=O)[nH][n-]2)cc1 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/nfs/dbraw/zinc/99/37/38/1198993738.db2.gz NPAANBTXHGJBSO-JSGCOSHPSA-N -1 3 383.445 0.911 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](c1nncn1C)C(C)C ZINC000672110020 1199106514 /nfs/dbraw/zinc/10/65/14/1199106514.db2.gz ULEUJJXDLMWLGC-CMPLNLGQSA-N -1 3 384.462 0.600 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccnc(OCCO)c1 ZINC000620642649 1199138580 /nfs/dbraw/zinc/13/85/80/1199138580.db2.gz REOPBZZVYKLWNJ-JTQLQIEISA-N -1 3 384.414 0.363 20 0 GCADHM O=C(NC[C@H](O)Cn1ccnn1)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001626064723 1199211239 /nfs/dbraw/zinc/21/12/39/1199211239.db2.gz WRHCEOBRPFAFIB-JTQLQIEISA-N -1 3 392.213 0.673 20 0 GCADHM O=C(Cn1ccnc1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC001002744709 1199250187 /nfs/dbraw/zinc/25/01/87/1199250187.db2.gz XIGNSHKSZDWWRK-YUELXQCFSA-N -1 3 382.424 0.818 20 0 GCADHM O=C(CCn1ccnn1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3n[n-]nc31)C2 ZINC001002953097 1199356691 /nfs/dbraw/zinc/35/66/91/1199356691.db2.gz 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MCTHGQQUFJYXMJ-BZPMIXESSA-N -1 3 382.424 0.887 20 0 GCADHM O=C(Cc1cc[nH]n1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)[n-]c(C3CC3)n1)C2 ZINC001003454559 1199552896 /nfs/dbraw/zinc/55/28/96/1199552896.db2.gz IHPNIRLCWKRUCE-NFAWXSAZSA-N -1 3 382.424 0.887 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn3c1CCC3)C2 ZINC001003489279 1199563013 /nfs/dbraw/zinc/56/30/13/1199563013.db2.gz PHGGLZWRORGTTR-KYOSRNDESA-N -1 3 382.424 0.809 20 0 GCADHM CNC(=O)CCOc1ccc(NC(=O)C(=O)NCc2cnc(C)[n-]c2=O)cc1 ZINC000543211396 1199587706 /nfs/dbraw/zinc/58/77/06/1199587706.db2.gz DQTCRYFCUHMYDU-UHFFFAOYSA-N -1 3 387.396 0.260 20 0 GCADHM COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NCc1cnc(C)[n-]c1=O ZINC000543212621 1199588724 /nfs/dbraw/zinc/58/87/24/1199588724.db2.gz QQAPPXORBVFVHO-UHFFFAOYSA-N -1 3 380.307 0.810 20 0 GCADHM Cn1c(Cl)ncc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001003589867 1199596197 /nfs/dbraw/zinc/59/61/97/1199596197.db2.gz YALOGFBQXONTOT-IEBDPFPHSA-N -1 3 376.804 0.745 20 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COc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1OCC(N)=O ZINC000068962177 1199656272 /nfs/dbraw/zinc/65/62/72/1199656272.db2.gz FCGGQXWZRIJNSA-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn[nH]n1)c1cc(=O)c2ccccc2[n-]1 ZINC001003851145 1199686886 /nfs/dbraw/zinc/68/68/86/1199686886.db2.gz AMEDHNDLUNWRAQ-ZXIHIIQKSA-N -1 3 378.392 0.822 20 0 GCADHM CC(=O)Nc1cccc(CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cn[n-]n2)C3)c1 ZINC001003932524 1199712325 /nfs/dbraw/zinc/71/23/25/1199712325.db2.gz ZMWQKYKMWQHVBN-INMHGKMJSA-N -1 3 382.424 0.868 20 0 GCADHM O=C(C[C@@H]1NC(=O)c2ccccc21)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001003931690 1199712996 /nfs/dbraw/zinc/71/29/96/1199712996.db2.gz ODBVCRHADQHIRV-FTOGJNOLSA-N -1 3 380.408 0.541 20 0 GCADHM Cc1csc(=O)n1CCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001003934998 1199713772 /nfs/dbraw/zinc/71/37/72/1199713772.db2.gz GGTXAQKIBYNRKA-WZRBSPASSA-N -1 3 376.442 0.288 20 0 GCADHM 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0.791 20 0 GCADHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@@H](C(=O)N1CCCC[C@H]1C)C(C)C ZINC000767377189 1201971421 /nfs/dbraw/zinc/97/14/21/1201971421.db2.gz LDPAWWVVGAGASY-GDBMZVCRSA-N -1 3 392.518 0.911 20 0 GCADHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000767374705 1201971437 /nfs/dbraw/zinc/97/14/37/1201971437.db2.gz AKDGWRHJZKKYSL-MRXNPFEDSA-N -1 3 398.481 0.990 20 0 GCADHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000767374716 1201971461 /nfs/dbraw/zinc/97/14/61/1201971461.db2.gz AOKLKOCLJAZZCP-JTQLQIEISA-N -1 3 394.396 0.791 20 0 GCADHM CCOCCS(=O)(=O)[N-]CC(=O)OCC(=O)N1c2ccccc2C[C@H]1C ZINC000767378719 1201971631 /nfs/dbraw/zinc/97/16/31/1201971631.db2.gz OEERCUDMBMSKJK-CYBMUJFWSA-N -1 3 384.454 0.463 20 0 GCADHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@H](C(=O)N1CCCC[C@H]1C)C(C)C ZINC000767377195 1201971815 /nfs/dbraw/zinc/97/18/15/1201971815.db2.gz LDPAWWVVGAGASY-ZBFHGGJFSA-N -1 3 392.518 0.911 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)n(CC(=O)NC)n2)ccc1F ZINC000768001023 1201996718 /nfs/dbraw/zinc/99/67/18/1201996718.db2.gz BNXFPYWCPGETTM-UHFFFAOYSA-N -1 3 383.405 0.237 20 0 GCADHM C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000768550738 1202023204 /nfs/dbraw/zinc/02/32/04/1202023204.db2.gz HTGHMPBZRLMVIW-RISCZKNCSA-N -1 3 386.445 0.878 20 0 GCADHM CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000768644947 1202026329 /nfs/dbraw/zinc/02/63/29/1202026329.db2.gz QRNIWGZJYKYNDV-UHFFFAOYSA-N -1 3 377.397 0.529 20 0 GCADHM COCCCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001109435482 1202049438 /nfs/dbraw/zinc/04/94/38/1202049438.db2.gz ZSEVKVVCVKKIMR-NEBZKDRISA-N -1 3 377.445 0.059 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc[n-]c1=O)C2 ZINC001109435483 1202049591 /nfs/dbraw/zinc/04/95/91/1202049591.db2.gz ZSEVKVVCVKKIMR-UXOAXIEHSA-N -1 3 377.445 0.059 20 0 GCADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)NCCOc1ccccc1 ZINC000770099552 1202084787 /nfs/dbraw/zinc/08/47/87/1202084787.db2.gz MMLIJXLGFMKGLL-OAHLLOKOSA-N -1 3 386.470 0.689 20 0 GCADHM COc1cccc(CNC(=O)COC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)c1 ZINC000770108138 1202085457 /nfs/dbraw/zinc/08/54/57/1202085457.db2.gz QPVWTENXHZVODV-HNNXBMFYSA-N -1 3 386.470 0.819 20 0 GCADHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000770112285 1202085499 /nfs/dbraw/zinc/08/54/99/1202085499.db2.gz NXHMAICEZRWSMR-CZUORRHYSA-N -1 3 398.481 0.613 20 0 GCADHM COc1cccc(CNC(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)c1 ZINC000770108140 1202085590 /nfs/dbraw/zinc/08/55/90/1202085590.db2.gz QPVWTENXHZVODV-OAHLLOKOSA-N -1 3 386.470 0.819 20 0 GCADHM C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)[C@@H]1CN(C)CCO1 ZINC000770242987 1202090356 /nfs/dbraw/zinc/09/03/56/1202090356.db2.gz WNQVVCHWXNFQEO-NHYWBVRUSA-N -1 3 385.461 0.715 20 0 GCADHM O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)NN1CC(=O)[N-]C1=O ZINC000770420241 1202098119 /nfs/dbraw/zinc/09/81/19/1202098119.db2.gz VNSQZTBIZFOXNO-UHFFFAOYSA-N -1 3 386.412 0.562 20 0 GCADHM O=C(Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)NN1CC(=O)[N-]C1=O ZINC000770531873 1202103137 /nfs/dbraw/zinc/10/31/37/1202103137.db2.gz QTEIXGOWZCAYGC-UHFFFAOYSA-N -1 3 376.764 0.781 20 0 GCADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC[C@H](OCCO)C1 ZINC000771784679 1202159613 /nfs/dbraw/zinc/15/96/13/1202159613.db2.gz FOROGHGXJQNIGO-AWEZNQCLSA-N -1 3 386.445 0.880 20 0 GCADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1c(CC)nn(C)c1OC ZINC000771799233 1202160787 /nfs/dbraw/zinc/16/07/87/1202160787.db2.gz RHGCYTWQNZLLHJ-UHFFFAOYSA-N -1 3 385.446 0.678 20 0 GCADHM CCOCCS(=O)(=O)[N-]CC(=O)O[C@@H](C)c1nnnn1C1CCCCC1 ZINC000787738473 1205401546 /nfs/dbraw/zinc/40/15/46/1205401546.db2.gz JCGWGWQZRBLNGL-LBPRGKRZSA-N -1 3 389.478 0.738 20 0 GCADHM C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]C2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000787910424 1205406982 /nfs/dbraw/zinc/40/69/82/1205406982.db2.gz PQWRFQDLXGSQMJ-RYUDHWBXSA-N -1 3 390.506 0.274 20 0 GCADHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-]C2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000787910436 1205407075 /nfs/dbraw/zinc/40/70/75/1205407075.db2.gz PQWRFQDLXGSQMJ-VXGBXAGGSA-N -1 3 390.506 0.274 20 0 GCADHM Cn1c2ccc(NC(=O)CCC(=O)[N-]OC[C@@H]3CCOC3)nc2n(C)c1=O ZINC000788574491 1205425995 /nfs/dbraw/zinc/42/59/95/1205425995.db2.gz MEGKWFAJETXZLH-LLVKDONJSA-N -1 3 377.401 0.075 20 0 GCADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCCS(C)(=O)=O)c2)[n-]1 ZINC000788598007 1205426156 /nfs/dbraw/zinc/42/61/56/1205426156.db2.gz ZSICRTRDPUEXBK-UHFFFAOYSA-N -1 3 395.441 0.492 20 0 GCADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCCS(C)(=O)=O)c2)n[n-]1 ZINC000788598007 1205426158 /nfs/dbraw/zinc/42/61/58/1205426158.db2.gz ZSICRTRDPUEXBK-UHFFFAOYSA-N -1 3 395.441 0.492 20 0 GCADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCC[S@](C)=O)c2)[n-]1 ZINC000789042440 1205434506 /nfs/dbraw/zinc/43/45/06/1205434506.db2.gz VZNGPOARCRRGEC-SANMLTNESA-N -1 3 379.442 0.826 20 0 GCADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCC[S@](C)=O)c2)n[n-]1 ZINC000789042440 1205434508 /nfs/dbraw/zinc/43/45/08/1205434508.db2.gz VZNGPOARCRRGEC-SANMLTNESA-N -1 3 379.442 0.826 20 0 GCADHM COCCO[N-]C(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000789826358 1205449885 /nfs/dbraw/zinc/44/98/85/1205449885.db2.gz VZJQZBRUSQTGCG-INIZCTEOSA-N -1 3 387.440 0.963 20 0 GCADHM CCCCN(C(=O)COC(=O)c1cccc2nn[n-]c21)[C@@H]1CCS(=O)(=O)C1 ZINC000790073721 1205455441 /nfs/dbraw/zinc/45/54/41/1205455441.db2.gz LNSOKSLTURONKH-GFCCVEGCSA-N -1 3 394.453 0.931 20 0 GCADHM CCCCN(C(=O)COC(=O)c1cccc2[n-]nnc21)[C@@H]1CCS(=O)(=O)C1 ZINC000790073721 1205455443 /nfs/dbraw/zinc/45/54/43/1205455443.db2.gz LNSOKSLTURONKH-GFCCVEGCSA-N -1 3 394.453 0.931 20 0 GCADHM CCCCN(C(=O)COC(=O)c1cccc2n[n-]nc21)[C@@H]1CCS(=O)(=O)C1 ZINC000790073721 1205455445 /nfs/dbraw/zinc/45/54/45/1205455445.db2.gz LNSOKSLTURONKH-GFCCVEGCSA-N -1 3 394.453 0.931 20 0 GCADHM Cc1ccn(C[C@@](C)(O)C(=O)OCC(=O)[N-]C(=O)c2cccs2)c(=O)c1 ZINC000790684594 1205470228 /nfs/dbraw/zinc/47/02/28/1205470228.db2.gz GLGTZZLOSAOVFG-QGZVFWFLSA-N -1 3 378.406 0.469 20 0 GCADHM C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1nnnn1C1CC1 ZINC000790726304 1205470464 /nfs/dbraw/zinc/47/04/64/1205470464.db2.gz QKOLJXABDZZZQG-GFCCVEGCSA-N -1 3 385.428 0.942 20 0 GCADHM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1ncccc1[O-] ZINC000792610941 1205490536 /nfs/dbraw/zinc/49/05/36/1205490536.db2.gz DJPYLBFTLRCCSM-ZDUSSCGKSA-N -1 3 378.429 0.919 20 0 GCADHM O=C(N[C@@H](CO)Cc1ccncc1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000793943288 1205510784 /nfs/dbraw/zinc/51/07/84/1205510784.db2.gz WMOGHEDMAZZFKZ-OAHLLOKOSA-N -1 3 393.440 0.995 20 0 GCADHM C[N-]S(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)n(C)c(=O)n3C)cn1 ZINC000794159103 1205511907 /nfs/dbraw/zinc/51/19/07/1205511907.db2.gz XLYCLWFYQHIYKJ-UHFFFAOYSA-N -1 3 376.394 0.399 20 0 GCADHM CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000804717261 1205521926 /nfs/dbraw/zinc/52/19/26/1205521926.db2.gz MVWXWEIXIUUKJK-UHFFFAOYSA-N -1 3 399.421 0.703 20 0 GCADHM CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)C(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000807062905 1205574345 /nfs/dbraw/zinc/57/43/45/1205574345.db2.gz HTSQFDVTTQEVCW-UHFFFAOYSA-N -1 3 395.347 0.694 20 0 GCADHM CCN(CC)CC(=O)Nc1cccc(NC(=O)CCn2cc[n-]c(=O)c2=O)c1 ZINC000807861057 1205591780 /nfs/dbraw/zinc/59/17/80/1205591780.db2.gz LKSQELZGRGJLSC-UHFFFAOYSA-N -1 3 387.440 0.846 20 0 GCADHM CC(=O)c1cccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1[O-] ZINC000808188559 1205601834 /nfs/dbraw/zinc/60/18/34/1205601834.db2.gz ZYXATHIGWRDCNY-NSHDSACASA-N -1 3 393.421 0.699 20 0 GCADHM COCCCn1c(=O)c2ccc(C(=O)N[C@H](CO)CN(C)C)cc2[n-]c1=S ZINC000808174526 1205602068 /nfs/dbraw/zinc/60/20/68/1205602068.db2.gz MBNASAWNJJREFE-ZDUSSCGKSA-N -1 3 394.497 0.374 20 0 GCADHM CCOCCO[N-]C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000808900485 1205613555 /nfs/dbraw/zinc/61/35/55/1205613555.db2.gz PDQWLXBLGSQUOP-QGZVFWFLSA-N -1 3 379.457 0.478 20 0 GCADHM O=C(CN1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1)NCC(=O)N1CCCC1 ZINC000810065475 1205633674 /nfs/dbraw/zinc/63/36/74/1205633674.db2.gz BOQNUFSJUQAGCX-LBPRGKRZSA-N -1 3 378.395 0.116 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000810270495 1205635557 /nfs/dbraw/zinc/63/55/57/1205635557.db2.gz YAXRTPJANVLTIN-NEPJUHHUSA-N -1 3 389.424 0.223 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@]1(O)CCCc2ccccc21 ZINC000810370466 1205636956 /nfs/dbraw/zinc/63/69/56/1205636956.db2.gz GUOAUGRRYOUGGV-SFHVURJKSA-N -1 3 393.465 0.910 20 0 GCADHM Cn1cc(NC(=O)C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ccc1=O ZINC000810458598 1205638289 /nfs/dbraw/zinc/63/82/89/1205638289.db2.gz VJSARXJEKDFSMM-JTQLQIEISA-N -1 3 388.346 0.241 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NN1CCc2ccccc2C1=O ZINC000810854044 1205644146 /nfs/dbraw/zinc/64/41/46/1205644146.db2.gz HCDFDZAXBHGUHU-UHFFFAOYSA-N -1 3 378.410 0.299 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000811031397 1205645817 /nfs/dbraw/zinc/64/58/17/1205645817.db2.gz YYMHKDVVQSXTKK-ZDUSSCGKSA-N -1 3 387.458 0.571 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCc2cnnn2C)CCCC1 ZINC000811202699 1205649096 /nfs/dbraw/zinc/64/90/96/1205649096.db2.gz GQJOSLUFCLSMRE-UHFFFAOYSA-N -1 3 383.430 0.754 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCCc3c(=O)[n-]cnc32)cc1 ZINC001132783586 1205651680 /nfs/dbraw/zinc/65/16/80/1205651680.db2.gz NPWUKQDNUVGFHU-UHFFFAOYSA-N -1 3 376.438 0.954 20 0 GCADHM COc1cc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc(OC)c1OCC(N)=O ZINC001132783619 1205651837 /nfs/dbraw/zinc/65/18/37/1205651837.db2.gz OMJARALDESNTBP-UHFFFAOYSA-N -1 3 388.380 0.657 20 0 GCADHM C[C@@H]1CN(CCNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCO1 ZINC000812020613 1205660147 /nfs/dbraw/zinc/66/01/47/1205660147.db2.gz GOAATFYYSAEWDZ-OLZOCXBDSA-N -1 3 380.411 0.807 20 0 GCADHM [NH3+]CCC(=O)N[C@@H](Cc1cncn1-c1[n-]c(=O)c(Cl)cc1Cl)C(=O)[O-] ZINC001170687364 1205668886 /nfs/dbraw/zinc/66/88/86/1205668886.db2.gz HVWWGMWFRGPVEC-JTQLQIEISA-N -1 3 388.211 0.740 20 0 GCADHM COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c[n-]1 ZINC000814532112 1205692474 /nfs/dbraw/zinc/69/24/74/1205692474.db2.gz OIFRLKOGSCFBPW-UHFFFAOYSA-N -1 3 381.366 0.244 20 0 GCADHM COC(=O)c1cc(C(=O)O[C@H](C)C(=O)N2CCN(c3ncccn3)CC2)c[n-]1 ZINC000814531960 1205692601 /nfs/dbraw/zinc/69/26/01/1205692601.db2.gz WTYMJKGGFVKAPT-GFCCVEGCSA-N -1 3 387.396 0.485 20 0 GCADHM CCN(C(=O)[C@@H](C)OC(=O)c1c[n-]c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000814529394 1205692937 /nfs/dbraw/zinc/69/29/37/1205692937.db2.gz CDANVQHVRYQPJH-ZYHUDNBSSA-N -1 3 386.426 0.382 20 0 GCADHM COC(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c[n-]1 ZINC000814529472 1205693014 /nfs/dbraw/zinc/69/30/14/1205693014.db2.gz GCMBFUJUCOYRAA-SECBINFHSA-N -1 3 395.393 0.633 20 0 GCADHM COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c[n-]1 ZINC000814529473 1205693074 /nfs/dbraw/zinc/69/30/74/1205693074.db2.gz GCMBFUJUCOYRAA-VIFPVBQESA-N -1 3 395.393 0.633 20 0 GCADHM COC(=O)c1cc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c[n-]1 ZINC000814531198 1205693293 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GCADHM Nc1nc2c(ncn2CC(=O)Nc2ncc(Br)[n-]c2=O)c(Cl)n1 ZINC001185911471 1205932098 /nfs/dbraw/zinc/93/20/98/1205932098.db2.gz VEEJKGQKAWKBHF-UHFFFAOYSA-N -1 3 399.596 0.546 20 0 GCADHM Cn1cc(S(=O)(=O)[N-]CCNC(=O)OC(C)(C)C)c(Br)n1 ZINC001186086397 1205934665 /nfs/dbraw/zinc/93/46/65/1205934665.db2.gz DLGLQDOBWFOSRO-UHFFFAOYSA-N -1 3 383.268 0.986 20 0 GCADHM O=C1C=CC(=O)N1CC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186352854 1205938284 /nfs/dbraw/zinc/93/82/84/1205938284.db2.gz TZKFKXBMINMITC-UHFFFAOYSA-N -1 3 394.634 0.701 20 0 GCADHM CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCCc2c(C)[n-][nH]c2=O)C1 ZINC001186806493 1205947632 /nfs/dbraw/zinc/94/76/32/1205947632.db2.gz MAJWUXOGBJQWMD-SCLBCKFNSA-N -1 3 379.413 0.590 20 0 GCADHM Cc1cc(=O)oc2cc(NC(=O)[C@H](CO)[N-]S(=O)(=O)c3ccco3)ccc12 ZINC001186887206 1205950227 /nfs/dbraw/zinc/95/02/27/1205950227.db2.gz URGQXTNIGXHPCL-ZDUSSCGKSA-N -1 3 392.389 0.972 20 0 GCADHM CN(C)C(=O)CN1C(=O)CCC12CCC([N-]S(=O)(=O)c1ccco1)CC2 ZINC001186866945 1205950967 /nfs/dbraw/zinc/95/09/67/1205950967.db2.gz CASRDTRZJNNUDO-UHFFFAOYSA-N -1 3 383.470 0.950 20 0 GCADHM CS(=O)(=O)c1ccc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(S(C)(=O)=O)c1 ZINC001186906331 1205951486 /nfs/dbraw/zinc/95/14/86/1205951486.db2.gz RUAXQLCYHPNSKL-SNVBAGLBSA-N -1 3 385.467 0.916 20 0 GCADHM CCOC(=O)CC[C@H](NC(=O)c1ccccc1-c1nnn[n-]1)C(=O)OCC ZINC001187007754 1205953353 /nfs/dbraw/zinc/95/33/53/1205953353.db2.gz HWALPOVRWSGOCF-ZDUSSCGKSA-N -1 3 375.385 0.872 20 0 GCADHM CCOC(=O)CC[C@H](NC(=O)c1ccccc1-c1nn[n-]n1)C(=O)OCC ZINC001187007754 1205953354 /nfs/dbraw/zinc/95/33/54/1205953354.db2.gz HWALPOVRWSGOCF-ZDUSSCGKSA-N -1 3 375.385 0.872 20 0 GCADHM COCCn1c(=O)ccc2c1CC[C@H](NC(=O)c1ccccc1-c1nnn[n-]1)C2 ZINC001187006588 1205953424 /nfs/dbraw/zinc/95/34/24/1205953424.db2.gz CXYYJSBQAPSHBW-AWEZNQCLSA-N -1 3 394.435 0.962 20 0 GCADHM COCCn1c(=O)ccc2c1CC[C@H](NC(=O)c1ccccc1-c1nn[n-]n1)C2 ZINC001187006588 1205953425 /nfs/dbraw/zinc/95/34/25/1205953425.db2.gz CXYYJSBQAPSHBW-AWEZNQCLSA-N -1 3 394.435 0.962 20 0 GCADHM COCCOCCOCCOCCNC(=O)c1ccccc1-c1nnn[n-]1 ZINC001187008515 1205953740 /nfs/dbraw/zinc/95/37/40/1205953740.db2.gz OORZXNOFTYBKHW-UHFFFAOYSA-N -1 3 379.417 0.293 20 0 GCADHM COCCOCCOCCOCCNC(=O)c1ccccc1-c1nn[n-]n1 ZINC001187008515 1205953741 /nfs/dbraw/zinc/95/37/41/1205953741.db2.gz OORZXNOFTYBKHW-UHFFFAOYSA-N -1 3 379.417 0.293 20 0 GCADHM CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)c1ccccc1-c1nnn[n-]1)C2 ZINC001186992407 1205954224 /nfs/dbraw/zinc/95/42/24/1205954224.db2.gz ONJOOKDMHDCSEB-UHFFFAOYSA-N -1 3 395.427 0.483 20 0 GCADHM CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)c1ccccc1-c1nn[n-]n1)C2 ZINC001186992407 1205954225 /nfs/dbraw/zinc/95/42/25/1205954225.db2.gz ONJOOKDMHDCSEB-UHFFFAOYSA-N -1 3 395.427 0.483 20 0 GCADHM O=C(c1ccccc1-c1nnn[n-]1)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001186992962 1205954231 /nfs/dbraw/zinc/95/42/31/1205954231.db2.gz YFAZYANSNAOYRI-CABCVRRESA-N -1 3 378.396 0.387 20 0 GCADHM O=C(c1ccccc1-c1nn[n-]n1)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001186992962 1205954232 /nfs/dbraw/zinc/95/42/32/1205954232.db2.gz YFAZYANSNAOYRI-CABCVRRESA-N -1 3 378.396 0.387 20 0 GCADHM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)CCc3noc4ccccc43)C2=O)cn1 ZINC001187187420 1205956463 /nfs/dbraw/zinc/95/64/63/1205956463.db2.gz FNXYRCOCKJJRDQ-HNNXBMFYSA-N -1 3 389.437 0.829 20 0 GCADHM CSc1[n-]nc(NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1C(N)=O ZINC001187301617 1205960289 /nfs/dbraw/zinc/96/02/89/1205960289.db2.gz KCLKJAGRSWAURT-SECBINFHSA-N -1 3 398.489 0.720 20 0 GCADHM Cc1oncc1S(=O)(=O)[N-]CCN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001187408511 1205962264 /nfs/dbraw/zinc/96/22/64/1205962264.db2.gz AHXMRDPNQGYYDB-UHFFFAOYSA-N -1 3 388.446 0.341 20 0 GCADHM Cc1oncc1S(=O)(=O)[N-]c1cc(=O)n(C)c(=O)n1Cc1ccccc1 ZINC001187413774 1205962329 /nfs/dbraw/zinc/96/23/29/1205962329.db2.gz IFVFXOQLWQGFAS-UHFFFAOYSA-N -1 3 376.394 0.693 20 0 GCADHM Cc1oncc1S(=O)(=O)[N-]C[C@@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001187389794 1205962574 /nfs/dbraw/zinc/96/25/74/1205962574.db2.gz WZZQHPLTJSOVGX-GFCCVEGCSA-N -1 3 376.398 0.514 20 0 GCADHM O=C(CNC(=O)c1nn[n-]c1C(F)(F)F)NCC(=O)OCc1ccccc1 ZINC001187770790 1205967675 /nfs/dbraw/zinc/96/76/75/1205967675.db2.gz QNKHMYPYWVZKNR-UHFFFAOYSA-N -1 3 385.302 0.413 20 0 GCADHM O=C(CNC(=O)c1[n-]nnc1C(F)(F)F)NCC(=O)OCc1ccccc1 ZINC001187770790 1205967677 /nfs/dbraw/zinc/96/76/77/1205967677.db2.gz QNKHMYPYWVZKNR-UHFFFAOYSA-N -1 3 385.302 0.413 20 0 GCADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001187737302 1205967998 /nfs/dbraw/zinc/96/79/98/1205967998.db2.gz XSXWBHNXXHYQEO-BDJLRTHQSA-N -1 3 392.441 0.037 20 0 GCADHM CC(=O)N[C@@H](CCCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(N)=O ZINC001187981710 1205972945 /nfs/dbraw/zinc/97/29/45/1205972945.db2.gz KXLCDIPXWZZFKD-VIFPVBQESA-N -1 3 397.284 0.827 20 0 GCADHM O=S(=O)([N-]CCN1CCS(=O)(=O)CC1)c1cnc(Cl)c(Cl)c1 ZINC001188088847 1205975394 /nfs/dbraw/zinc/97/53/94/1205975394.db2.gz SXOJTTZHDAFUDZ-UHFFFAOYSA-N -1 3 388.298 0.397 20 0 GCADHM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C1CCN([C@@H]2CCOC2=O)CC1 ZINC001188255080 1205977973 /nfs/dbraw/zinc/97/79/73/1205977973.db2.gz WOVCGRPTXAJABJ-SFDCACGMSA-N -1 3 381.520 0.497 20 0 GCADHM CN(C)C(=O)NCC[N-]S(=O)(=O)c1cnn2cc(Br)cnc12 ZINC001188655930 1205988671 /nfs/dbraw/zinc/98/86/71/1205988671.db2.gz JLBAJMCBWBXQCV-UHFFFAOYSA-N -1 3 391.251 0.041 20 0 GCADHM CC(C)(C)OC(=O)N1CC(S(=O)(=O)[N-][C@@H]2CN(c3ccccc3)C2=O)C1 ZINC001189080777 1205995767 /nfs/dbraw/zinc/99/57/67/1205995767.db2.gz VCQHZNRUTBZKGQ-CQSZACIVSA-N -1 3 381.454 0.941 20 0 GCADHM O=C1CCC(S(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC001189551865 1206009246 /nfs/dbraw/zinc/00/92/46/1206009246.db2.gz OBFOZNHTTNUKBM-UHFFFAOYSA-N -1 3 396.437 0.674 20 0 GCADHM CCOC(=O)C1([N-]S(=O)(=O)c2ccc(F)c(OC)n2)CCN(CC)CC1 ZINC001190125471 1206027766 /nfs/dbraw/zinc/02/77/66/1206027766.db2.gz CGUKKFZXAJAZOE-UHFFFAOYSA-N -1 3 389.449 0.925 20 0 GCADHM COc1nc(S(=O)(=O)[N-]Cc2ccc(N3CCOCC3)nn2)ccc1F ZINC001190118836 1206027787 /nfs/dbraw/zinc/02/77/87/1206027787.db2.gz UXLJWYXCCHWYLD-UHFFFAOYSA-N -1 3 383.405 0.334 20 0 GCADHM COc1cc([O-])c(C(=O)N2CCN(CCCS(C)(=O)=O)CC2)c(OC)c1 ZINC001190130592 1206027900 /nfs/dbraw/zinc/02/79/00/1206027900.db2.gz WWAZSQUVVXFKQQ-UHFFFAOYSA-N -1 3 386.470 0.602 20 0 GCADHM CCOC(=O)CNC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC001190595395 1206039639 /nfs/dbraw/zinc/03/96/39/1206039639.db2.gz GZEZEGQVWRYYEX-UHFFFAOYSA-N -1 3 392.817 0.084 20 0 GCADHM CC(C)(C)OC(=O)N1CC(CS(=O)(=O)[N-][C@@H](C(N)=O)c2ccccn2)C1 ZINC001190603367 1206040000 /nfs/dbraw/zinc/04/00/00/1206040000.db2.gz JCDRAZMAMNTWCI-CYBMUJFWSA-N -1 3 384.458 0.394 20 0 GCADHM Cn1ncc(S(=O)(=O)[N-]C[C@H]2CCCN(C(N)=O)C2)c1Br ZINC001190957268 1206052478 /nfs/dbraw/zinc/05/24/78/1206052478.db2.gz FWARICNRXDHMEG-MRVPVSSYSA-N -1 3 380.268 0.252 20 0 GCADHM CC(=O)N1CC(=O)NC[C@@]12CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)C2 ZINC001164971634 722079216 /nfs/dbraw/zinc/07/92/16/722079216.db2.gz WQUANMAVFJBOBQ-CYBMUJFWSA-N -1 3 391.831 0.891 20 0 GCADHM CC(C)N1CCN(C(C)(C)CNS(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC001465114395 804141921 /nfs/dbraw/zinc/14/19/21/804141921.db2.gz FBGGRAIKXUANFU-LSDHHAIUSA-N -1 3 375.535 0.964 20 0 GCADHM Cc1nc(NC(=O)[C@@H]2CSCCS2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737479567 945077450 /nfs/dbraw/zinc/07/74/50/945077450.db2.gz BYAHTVAMCYLORC-LBPRGKRZSA-N -1 3 388.482 0.965 20 0 GCADHM Cc1nc(NC(=O)CCn2ccccc2=O)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480570 945080102 /nfs/dbraw/zinc/08/01/02/945080102.db2.gz PJAGVHQHFGAZNH-UHFFFAOYSA-N -1 3 391.395 0.368 20 0 GCADHM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737755215 945122968 /nfs/dbraw/zinc/12/29/68/945122968.db2.gz LNGVTVIMDFXCBG-LBPRGKRZSA-N -1 3 380.368 0.269 20 0 GCADHM NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737755215 945122972 /nfs/dbraw/zinc/12/29/72/945122972.db2.gz LNGVTVIMDFXCBG-LBPRGKRZSA-N -1 3 380.368 0.269 20 0 GCADHM O=C(CN1CCn2c(nnc2C(F)(F)F)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737885348 945144761 /nfs/dbraw/zinc/14/47/61/945144761.db2.gz VQGILYPZJDYXFV-UHFFFAOYSA-N -1 3 399.362 0.993 20 0 GCADHM O=C(CN1CCn2c(nnc2C(F)(F)F)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737885348 945144767 /nfs/dbraw/zinc/14/47/67/945144767.db2.gz VQGILYPZJDYXFV-UHFFFAOYSA-N -1 3 399.362 0.993 20 0 GCADHM O=C([O-])[C@]1(NC(=O)c2ccc3nnnn3c2)CCCN(Cc2ccccc2)C1 ZINC000833128579 939222631 /nfs/dbraw/zinc/22/26/31/939222631.db2.gz JHWAHHDAZOKKSL-IBGZPJMESA-N -1 3 380.408 0.974 20 0 GCADHM O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738272789 945256970 /nfs/dbraw/zinc/25/69/70/945256970.db2.gz FKIDMHLEIFWEKF-UHFFFAOYSA-N -1 3 381.371 0.999 20 0 GCADHM O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738272789 945256979 /nfs/dbraw/zinc/25/69/79/945256979.db2.gz FKIDMHLEIFWEKF-UHFFFAOYSA-N -1 3 381.371 0.999 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]2C)CC1 ZINC000819796560 945291028 /nfs/dbraw/zinc/29/10/28/945291028.db2.gz LPENZBMHXXLARS-IAQYHMDHSA-N -1 3 390.879 0.904 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]2C)CC1 ZINC000819796560 945291035 /nfs/dbraw/zinc/29/10/35/945291035.db2.gz LPENZBMHXXLARS-IAQYHMDHSA-N -1 3 390.879 0.904 20 0 GCADHM CC(C)(C)OC(=O)CCNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000819928272 945313757 /nfs/dbraw/zinc/31/37/57/945313757.db2.gz MXCYGCJYAKFQIQ-UHFFFAOYSA-N -1 3 376.421 0.705 20 0 GCADHM CC(C)(C)OC(=O)CCNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000819928272 945313762 /nfs/dbraw/zinc/31/37/62/945313762.db2.gz MXCYGCJYAKFQIQ-UHFFFAOYSA-N -1 3 376.421 0.705 20 0 GCADHM CCn1nncc1C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571257721 945341279 /nfs/dbraw/zinc/34/12/79/945341279.db2.gz HWVMRDVUFNGNSX-GFCCVEGCSA-N -1 3 385.407 0.622 20 0 GCADHM CCn1nncc1C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001571257721 945341286 /nfs/dbraw/zinc/34/12/86/945341286.db2.gz HWVMRDVUFNGNSX-GFCCVEGCSA-N -1 3 385.407 0.622 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571257731 945341866 /nfs/dbraw/zinc/34/18/66/945341866.db2.gz IITZHAYOQNDWCO-GFCCVEGCSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1cnn(C)c1C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571257731 945341876 /nfs/dbraw/zinc/34/18/76/945341876.db2.gz IITZHAYOQNDWCO-GFCCVEGCSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571257729 945341895 /nfs/dbraw/zinc/34/18/95/945341895.db2.gz ICKYOFPDGZIVMZ-GFCCVEGCSA-N -1 3 385.407 0.842 20 0 GCADHM Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571257729 945341907 /nfs/dbraw/zinc/34/19/07/945341907.db2.gz ICKYOFPDGZIVMZ-GFCCVEGCSA-N -1 3 385.407 0.842 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)C2=COCCO2)C1)c1ncccc1-c1nnn[n-]1 ZINC001571258012 945344972 /nfs/dbraw/zinc/34/49/72/945344972.db2.gz LBAHSHNASFIOKG-CYBMUJFWSA-N -1 3 385.428 0.825 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)C2=COCCO2)C1)c1ncccc1-c1nn[n-]n1 ZINC001571258012 945344975 /nfs/dbraw/zinc/34/49/75/945344975.db2.gz LBAHSHNASFIOKG-CYBMUJFWSA-N -1 3 385.428 0.825 20 0 GCADHM CCn1ncc(C(=O)N(C)[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)n1 ZINC001571257999 945345066 /nfs/dbraw/zinc/34/50/66/945345066.db2.gz KXCXEMOFUUOTNW-LLVKDONJSA-N -1 3 385.407 0.968 20 0 GCADHM CCn1ncc(C(=O)N(C)[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)n1 ZINC001571257999 945345077 /nfs/dbraw/zinc/34/50/77/945345077.db2.gz KXCXEMOFUUOTNW-LLVKDONJSA-N -1 3 385.407 0.968 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001571258091 945347774 /nfs/dbraw/zinc/34/77/74/945347774.db2.gz MOMIMXJELXHIQV-NXKACYDGSA-N -1 3 385.428 0.198 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001571258091 945347784 /nfs/dbraw/zinc/34/77/84/945347784.db2.gz MOMIMXJELXHIQV-NXKACYDGSA-N -1 3 385.428 0.198 20 0 GCADHM Cn1cncc1CC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571258084 945348358 /nfs/dbraw/zinc/34/83/58/945348358.db2.gz MLGZAUQMTKXJCG-LBPRGKRZSA-N -1 3 385.407 0.462 20 0 GCADHM Cn1cncc1CC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571258084 945348369 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O=C(N[C@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259556 945390351 /nfs/dbraw/zinc/39/03/51/945390351.db2.gz OPLIQXDWDDUBGJ-FZMZJTMJSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(CC1(O)CCC1)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571259632 945393644 /nfs/dbraw/zinc/39/36/44/945393644.db2.gz PKFPDXLSBCPTHA-UHFFFAOYSA-N -1 3 385.428 0.174 20 0 GCADHM O=C(CC1(O)CCC1)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571259632 945393654 /nfs/dbraw/zinc/39/36/54/945393654.db2.gz PKFPDXLSBCPTHA-UHFFFAOYSA-N -1 3 385.428 0.174 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571259798 945399551 /nfs/dbraw/zinc/39/95/51/945399551.db2.gz RHVQTENOURMHNB-BVRBVLIYSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571259798 945399562 /nfs/dbraw/zinc/39/95/62/945399562.db2.gz RHVQTENOURMHNB-BVRBVLIYSA-N -1 3 385.428 0.294 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2COCCO2)n1 ZINC001571259947 945403637 /nfs/dbraw/zinc/40/36/37/945403637.db2.gz SMDWQGZFZQEOKU-VNHYZAJKSA-N -1 3 385.428 0.165 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2COCCO2)n1 ZINC001571259947 945403642 /nfs/dbraw/zinc/40/36/42/945403642.db2.gz SMDWQGZFZQEOKU-VNHYZAJKSA-N -1 3 385.428 0.165 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)[C@@H]1CCOC1)CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259991 945403924 /nfs/dbraw/zinc/40/39/24/945403924.db2.gz VCBGMDDNQKSPCE-OMPKRAJASA-N -1 3 385.428 0.485 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)[C@@H]1CCOC1)CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259991 945403935 /nfs/dbraw/zinc/40/39/35/945403935.db2.gz VCBGMDDNQKSPCE-OMPKRAJASA-N -1 3 385.428 0.485 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571259942 945404354 /nfs/dbraw/zinc/40/43/54/945404354.db2.gz SJTAFQXZVBWKBV-GFCCVEGCSA-N -1 3 385.428 0.296 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571259942 945404367 /nfs/dbraw/zinc/40/43/67/945404367.db2.gz SJTAFQXZVBWKBV-GFCCVEGCSA-N -1 3 385.428 0.296 20 0 GCADHM O=C(N[C@H]1C[C@H](CO)C1)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001571260081 945408011 /nfs/dbraw/zinc/40/80/11/945408011.db2.gz VTWCSGWZSFGNGN-QEJZJMRPSA-N -1 3 385.428 0.038 20 0 GCADHM O=C(N[C@H]1C[C@H](CO)C1)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001571260081 945408015 /nfs/dbraw/zinc/40/80/15/945408015.db2.gz VTWCSGWZSFGNGN-QEJZJMRPSA-N -1 3 385.428 0.038 20 0 GCADHM CO[C@H](C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1)C1CC1 ZINC001571260120 945408042 /nfs/dbraw/zinc/40/80/42/945408042.db2.gz WCNVVTXWCMEKSC-XPCVCDNBSA-N -1 3 385.428 0.054 20 0 GCADHM CO[C@H](C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1)C1CC1 ZINC001571260120 945408048 /nfs/dbraw/zinc/40/80/48/945408048.db2.gz WCNVVTXWCMEKSC-XPCVCDNBSA-N -1 3 385.428 0.054 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)[C@H]1CCCC12CC2 ZINC001571260192 945409328 /nfs/dbraw/zinc/40/93/28/945409328.db2.gz XKOGHJNJYLFHGF-BNOWGMLFSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)[C@H]1CCCC12CC2 ZINC001571260192 945409340 /nfs/dbraw/zinc/40/93/40/945409340.db2.gz XKOGHJNJYLFHGF-BNOWGMLFSA-N -1 3 385.428 0.077 20 0 GCADHM CCc1noc([C@H](C)N2CC([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571260161 945409791 /nfs/dbraw/zinc/40/97/91/945409791.db2.gz WTRXZPJWVCQTSB-ZJUUUORDSA-N -1 3 385.432 0.952 20 0 GCADHM CCc1noc([C@H](C)N2CC([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571260161 945409798 /nfs/dbraw/zinc/40/97/98/945409798.db2.gz WTRXZPJWVCQTSB-ZJUUUORDSA-N -1 3 385.432 0.952 20 0 GCADHM NC(=O)[C@H]1CC[C@H](CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571260207 945410282 /nfs/dbraw/zinc/41/02/82/945410282.db2.gz XTDRXZQFPALVRN-HAQNSBGRSA-N -1 3 385.428 0.004 20 0 GCADHM NC(=O)[C@H]1CC[C@H](CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571260207 945410287 /nfs/dbraw/zinc/41/02/87/945410287.db2.gz XTDRXZQFPALVRN-HAQNSBGRSA-N -1 3 385.428 0.004 20 0 GCADHM CO[C@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1)C1CC1 ZINC001571260274 945412148 /nfs/dbraw/zinc/41/21/48/945412148.db2.gz ZSUCXUXECHOYDR-GLQYFDAESA-N -1 3 385.428 0.293 20 0 GCADHM CO[C@H](C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1)C1CC1 ZINC001571260274 945412151 /nfs/dbraw/zinc/41/21/51/945412151.db2.gz ZSUCXUXECHOYDR-GLQYFDAESA-N -1 3 385.428 0.293 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@@H](Cn2cncn2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820350775 945426480 /nfs/dbraw/zinc/42/64/80/945426480.db2.gz LUJXAXYNHVCNKO-SWLSCSKDSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@@H](Cn2cncn2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820350775 945426487 /nfs/dbraw/zinc/42/64/87/945426487.db2.gz LUJXAXYNHVCNKO-SWLSCSKDSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001571261858 945431003 /nfs/dbraw/zinc/43/10/03/945431003.db2.gz KSMCTOXMDWKJDV-JLLWLGSASA-N -1 3 385.457 0.811 20 0 GCADHM C[C@H](c1csnn1)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001571261858 945431006 /nfs/dbraw/zinc/43/10/06/945431006.db2.gz KSMCTOXMDWKJDV-JLLWLGSASA-N -1 3 385.457 0.811 20 0 GCADHM C[C@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)[C@H](C)N1CCOCC1 ZINC000820367975 945431428 /nfs/dbraw/zinc/43/14/28/945431428.db2.gz WPVILTFMHOVDIU-KBPBESRZSA-N -1 3 389.460 0.654 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)c(C)s1 ZINC001571261839 945431625 /nfs/dbraw/zinc/43/16/25/945431625.db2.gz KBOQQCWMENOSKZ-CABCVRRESA-N -1 3 385.453 0.920 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)c(C)s1 ZINC001571261839 945431630 /nfs/dbraw/zinc/43/16/30/945431630.db2.gz KBOQQCWMENOSKZ-CABCVRRESA-N -1 3 385.453 0.920 20 0 GCADHM C[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)[C@H](C)N1CCOCC1 ZINC000820367977 945431760 /nfs/dbraw/zinc/43/17/60/945431760.db2.gz WPVILTFMHOVDIU-KGLIPLIRSA-N -1 3 389.460 0.654 20 0 GCADHM C[C@@H](NC(=O)NCCC(=O)N1CCN(C)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820367896 945432197 /nfs/dbraw/zinc/43/21/97/945432197.db2.gz VGVQZCYQILEXQX-CYBMUJFWSA-N -1 3 386.460 0.391 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1)c1cncs1 ZINC001571262205 945435232 /nfs/dbraw/zinc/43/52/32/945435232.db2.gz OFJZVQCIABLGOZ-CYBMUJFWSA-N -1 3 385.453 0.954 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1)c1cncs1 ZINC001571262205 945435240 /nfs/dbraw/zinc/43/52/40/945435240.db2.gz OFJZVQCIABLGOZ-CYBMUJFWSA-N -1 3 385.453 0.954 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccccc1-c1nnn[n-]1)c1ccns1 ZINC001571262527 945438598 /nfs/dbraw/zinc/43/85/98/945438598.db2.gz SNUGWAADOWMPAU-CYBMUJFWSA-N -1 3 385.453 0.954 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccccc1-c1nn[n-]n1)c1ccns1 ZINC001571262527 945438599 /nfs/dbraw/zinc/43/85/99/945438599.db2.gz SNUGWAADOWMPAU-CYBMUJFWSA-N -1 3 385.453 0.954 20 0 GCADHM C[S@](=O)CCNC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001571262573 945440273 /nfs/dbraw/zinc/44/02/73/945440273.db2.gz VHNOFFHDDGMVRM-MHZLTWQESA-N -1 3 385.453 0.982 20 0 GCADHM C[S@](=O)CCNC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001571262573 945440278 /nfs/dbraw/zinc/44/02/78/945440278.db2.gz VHNOFFHDDGMVRM-MHZLTWQESA-N -1 3 385.453 0.982 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)s1 ZINC001571262604 945441265 /nfs/dbraw/zinc/44/12/65/945441265.db2.gz WEOYCEVEHBJDQF-ZIAGYGMSSA-N -1 3 385.453 0.540 20 0 GCADHM Cc1ccc(CC(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)s1 ZINC001571262604 945441268 /nfs/dbraw/zinc/44/12/68/945441268.db2.gz WEOYCEVEHBJDQF-ZIAGYGMSSA-N -1 3 385.453 0.540 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)c[nH]1 ZINC001571262765 945441573 /nfs/dbraw/zinc/44/15/73/945441573.db2.gz XDYDXYVMCQKOKX-LLVKDONJSA-N -1 3 385.453 0.929 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[n-]n4)s3)C2)c[nH]1 ZINC001571262765 945441581 /nfs/dbraw/zinc/44/15/81/945441581.db2.gz XDYDXYVMCQKOKX-LLVKDONJSA-N -1 3 385.453 0.929 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)c1ccns1 ZINC001571262809 945444050 /nfs/dbraw/zinc/44/40/50/945444050.db2.gz YOBKWFIZPLAICR-CQSZACIVSA-N -1 3 385.453 0.954 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820437663 945448880 /nfs/dbraw/zinc/44/88/80/945448880.db2.gz BAHOZRYZXYBXGO-RISCZKNCSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820437663 945448883 /nfs/dbraw/zinc/44/88/83/945448883.db2.gz BAHOZRYZXYBXGO-RISCZKNCSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCOC1CCC1 ZINC000820443993 945450982 /nfs/dbraw/zinc/45/09/82/945450982.db2.gz CUMMLTOXOCXKAP-LLVKDONJSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCOC1CCC1 ZINC000820443993 945450985 /nfs/dbraw/zinc/45/09/85/945450985.db2.gz CUMMLTOXOCXKAP-LLVKDONJSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@]1(C)CCCO1 ZINC000820444091 945450994 /nfs/dbraw/zinc/45/09/94/945450994.db2.gz FWFRELJKCRPNSH-BDJLRTHQSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@]1(C)CCCO1 ZINC000820444091 945451000 /nfs/dbraw/zinc/45/10/00/945451000.db2.gz FWFRELJKCRPNSH-BDJLRTHQSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCCOC1 ZINC000820445155 945451312 /nfs/dbraw/zinc/45/13/12/945451312.db2.gz OAYHUJDVGSUNBG-JQWIXIFHSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCCOC1 ZINC000820445155 945451316 /nfs/dbraw/zinc/45/13/16/945451316.db2.gz OAYHUJDVGSUNBG-JQWIXIFHSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820467569 945458170 /nfs/dbraw/zinc/45/81/70/945458170.db2.gz JSRAJDGANGUXSO-XHDPSFHLSA-N -1 3 389.412 0.454 20 0 GCADHM C[C@@H](OC(=O)CN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820495680 945463156 /nfs/dbraw/zinc/46/31/56/945463156.db2.gz IXBSTHAWXVHHMT-GFCCVEGCSA-N -1 3 394.457 0.048 20 0 GCADHM C[C@@H](OC(=O)CN1CCN(S(C)(=O)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820495680 945463165 /nfs/dbraw/zinc/46/31/65/945463165.db2.gz IXBSTHAWXVHHMT-GFCCVEGCSA-N -1 3 394.457 0.048 20 0 GCADHM O=C(CN1CCCC1)N1CCCCC[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571264926 945494792 /nfs/dbraw/zinc/49/47/92/945494792.db2.gz ASSROUBSGIHXQW-AWEZNQCLSA-N -1 3 385.476 0.358 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)NC(=O)NC1=O ZINC000820606780 945496784 /nfs/dbraw/zinc/49/67/84/945496784.db2.gz CTFUCKCQRASVPG-FZKQIMNGSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820606780 945496792 /nfs/dbraw/zinc/49/67/92/945496792.db2.gz CTFUCKCQRASVPG-FZKQIMNGSA-N -1 3 383.412 0.246 20 0 GCADHM CC1(CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000820612395 945498929 /nfs/dbraw/zinc/49/89/29/945498929.db2.gz CYQKJQQVZDCJIU-UHFFFAOYSA-N -1 3 393.469 0.714 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)NC(=O)NC1=O ZINC000820607719 945499095 /nfs/dbraw/zinc/49/90/95/945499095.db2.gz YJYVBDHXATURMR-ACJLOTCBSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)NC(=O)NC1=O ZINC000820607719 945499103 /nfs/dbraw/zinc/49/91/03/945499103.db2.gz YJYVBDHXATURMR-ACJLOTCBSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@]1(C2CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)NC(=O)NC1=O ZINC000820613330 945499319 /nfs/dbraw/zinc/49/93/19/945499319.db2.gz ZZKKYRAYJPZWEM-GOSISDBHSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@]1(C2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)NC(=O)NC1=O ZINC000820613330 945499328 /nfs/dbraw/zinc/49/93/28/945499328.db2.gz ZZKKYRAYJPZWEM-GOSISDBHSA-N -1 3 398.427 0.386 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001571265149 945501876 /nfs/dbraw/zinc/50/18/76/945501876.db2.gz DYTIIGKQRKLDMG-UONOGXRCSA-N -1 3 385.476 0.356 20 0 GCADHM CN1CCCC[C@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571265309 945506851 /nfs/dbraw/zinc/50/68/51/945506851.db2.gz GYMBBVSIMSXYIT-KGLIPLIRSA-N -1 3 385.476 0.474 20 0 GCADHM CN1CCCC[C@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265309 945506855 /nfs/dbraw/zinc/50/68/55/945506855.db2.gz GYMBBVSIMSXYIT-KGLIPLIRSA-N -1 3 385.476 0.474 20 0 GCADHM O=C(CN1CCCC1)N[C@@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571266020 945528918 /nfs/dbraw/zinc/52/89/18/945528918.db2.gz TXTOHAVXEVTSDF-ZIAGYGMSSA-N -1 3 385.476 0.839 20 0 GCADHM CN1CCC[C@@H]1C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001571266241 945535727 /nfs/dbraw/zinc/53/57/27/945535727.db2.gz YFPKNIDQXWZRPY-ZIAGYGMSSA-N -1 3 385.476 0.616 20 0 GCADHM CN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571266310 945537058 /nfs/dbraw/zinc/53/70/58/945537058.db2.gz YYGXOEZMDYDPOK-UONOGXRCSA-N -1 3 385.476 0.472 20 0 GCADHM O=C(N1CC[C@H]2COC(=O)N[C@@H]2C1)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001571266932 945556576 /nfs/dbraw/zinc/55/65/76/945556576.db2.gz CQNFFTVRKRMWPW-IINYFYTJSA-N -1 3 386.387 0.994 20 0 GCADHM O=C(N1CC[C@H]2COC(=O)N[C@@H]2C1)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001571266932 945556584 /nfs/dbraw/zinc/55/65/84/945556584.db2.gz CQNFFTVRKRMWPW-IINYFYTJSA-N -1 3 386.387 0.994 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820813202 945558854 /nfs/dbraw/zinc/55/88/54/945558854.db2.gz ATINTUMPIKMPPI-SNVBAGLBSA-N -1 3 375.414 0.536 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820813202 945558860 /nfs/dbraw/zinc/55/88/60/945558860.db2.gz ATINTUMPIKMPPI-SNVBAGLBSA-N -1 3 375.414 0.536 20 0 GCADHM C/C=C(\C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820826449 945564262 /nfs/dbraw/zinc/56/42/62/945564262.db2.gz MEPGYGFNHSJFAK-KGVSQERTSA-N -1 3 376.442 0.666 20 0 GCADHM C/C=C(\C)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820826449 945564269 /nfs/dbraw/zinc/56/42/69/945564269.db2.gz MEPGYGFNHSJFAK-KGVSQERTSA-N -1 3 376.442 0.666 20 0 GCADHM CN(C(=O)c1cn(C)c(=O)[nH]1)[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571267217 945564489 /nfs/dbraw/zinc/56/44/89/945564489.db2.gz MUFSLBBTPIMKGN-SNVBAGLBSA-N -1 3 386.391 0.796 20 0 GCADHM CN(C(=O)c1cn(C)c(=O)[nH]1)[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571267217 945564491 /nfs/dbraw/zinc/56/44/91/945564491.db2.gz MUFSLBBTPIMKGN-SNVBAGLBSA-N -1 3 386.391 0.796 20 0 GCADHM COc1nc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)co1 ZINC001571267315 945566704 /nfs/dbraw/zinc/56/67/04/945566704.db2.gz QFLAONFDJGSUGP-SCZZXKLOSA-N -1 3 386.372 0.224 20 0 GCADHM COc1nc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)co1 ZINC001571267315 945566708 /nfs/dbraw/zinc/56/67/08/945566708.db2.gz QFLAONFDJGSUGP-SCZZXKLOSA-N -1 3 386.372 0.224 20 0 GCADHM COc1nc(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)co1 ZINC001571267494 945570927 /nfs/dbraw/zinc/57/09/27/945570927.db2.gz XAFSFYVOGBGUFM-JTQLQIEISA-N -1 3 386.372 0.226 20 0 GCADHM COc1nc(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)co1 ZINC001571267494 945570933 /nfs/dbraw/zinc/57/09/33/945570933.db2.gz XAFSFYVOGBGUFM-JTQLQIEISA-N -1 3 386.372 0.226 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)o1 ZINC001571267522 945572839 /nfs/dbraw/zinc/57/28/39/945572839.db2.gz XWIRNLKTWIFIRT-VIFPVBQESA-N -1 3 386.347 0.419 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)o1 ZINC001571267522 945572846 /nfs/dbraw/zinc/57/28/46/945572846.db2.gz XWIRNLKTWIFIRT-VIFPVBQESA-N -1 3 386.347 0.419 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)on1 ZINC001571267566 945573114 /nfs/dbraw/zinc/57/31/14/945573114.db2.gz YSLPPJCCAVIWHN-SCZZXKLOSA-N -1 3 386.372 0.224 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)on1 ZINC001571267566 945573121 /nfs/dbraw/zinc/57/31/21/945573121.db2.gz YSLPPJCCAVIWHN-SCZZXKLOSA-N -1 3 386.372 0.224 20 0 GCADHM O=C(Cn1cncn1)N1CC[C@@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571267757 945577444 /nfs/dbraw/zinc/57/74/44/945577444.db2.gz DGAPXHNSICIDHS-LLVKDONJSA-N -1 3 386.395 0.343 20 0 GCADHM O=C(Cn1cncn1)N1CC[C@@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571267757 945577449 /nfs/dbraw/zinc/57/74/49/945577449.db2.gz DGAPXHNSICIDHS-LLVKDONJSA-N -1 3 386.395 0.343 20 0 GCADHM O=C(c1cn[nH]c1)N1CCC[C@@](CO)(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571267893 945581392 /nfs/dbraw/zinc/58/13/92/945581392.db2.gz HYIPPMOMXNNOTJ-QGZVFWFLSA-N -1 3 386.391 0.808 20 0 GCADHM O=C(c1cn[nH]c1)N1CCC[C@@](CO)(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571267893 945581405 /nfs/dbraw/zinc/58/14/05/945581405.db2.gz HYIPPMOMXNNOTJ-QGZVFWFLSA-N -1 3 386.391 0.808 20 0 GCADHM C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571268008 945585108 /nfs/dbraw/zinc/58/51/08/945585108.db2.gz LCJIJEHJMGCIOV-JOYOIKCWSA-N -1 3 386.395 0.492 20 0 GCADHM C[C@H]1CN(C(=O)c2ncn(C)n2)CC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571268008 945585118 /nfs/dbraw/zinc/58/51/18/945585118.db2.gz LCJIJEHJMGCIOV-JOYOIKCWSA-N -1 3 386.395 0.492 20 0 GCADHM CN(C(=O)[C@@H]1COC(=O)N1)C1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001571268212 945590470 /nfs/dbraw/zinc/59/04/70/945590470.db2.gz OFVHNZWHONPXOB-XIVSLSHWSA-N -1 3 386.416 0.552 20 0 GCADHM CN(C(=O)[C@@H]1COC(=O)N1)C1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001571268212 945590475 /nfs/dbraw/zinc/59/04/75/945590475.db2.gz OFVHNZWHONPXOB-XIVSLSHWSA-N -1 3 386.416 0.552 20 0 GCADHM Cc1nn[nH]c1C(=O)NCC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571268288 945591293 /nfs/dbraw/zinc/59/12/93/945591293.db2.gz QKMPPMRFUPUGBZ-UHFFFAOYSA-N -1 3 386.395 0.474 20 0 GCADHM CC[C@H](O)CN1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820932960 945592007 /nfs/dbraw/zinc/59/20/07/945592007.db2.gz RPZYEADLPWSJQU-GXTWGEPZSA-N -1 3 391.501 0.422 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)[C@@H]2COC(=O)N2)ccc1-c1nnn[n-]1 ZINC001571268328 945594429 /nfs/dbraw/zinc/59/44/29/945594429.db2.gz DBCGOZSHHZKSQY-YPMHNXCESA-N -1 3 386.416 0.472 20 0 GCADHM Cc1nc(NC[C@H]2CCCCN2C(=O)[C@@H]2COC(=O)N2)ccc1-c1nn[n-]n1 ZINC001571268328 945594435 /nfs/dbraw/zinc/59/44/35/945594435.db2.gz DBCGOZSHHZKSQY-YPMHNXCESA-N -1 3 386.416 0.472 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnn(C)c1N ZINC001571268475 945594994 /nfs/dbraw/zinc/59/49/94/945594994.db2.gz SWJUBPLABBCBRB-PRHODGIISA-N -1 3 386.395 0.432 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnn(C)c1N ZINC001571268475 945595002 /nfs/dbraw/zinc/59/50/02/945595002.db2.gz SWJUBPLABBCBRB-PRHODGIISA-N -1 3 386.395 0.432 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cncc(F)c2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571268451 945595691 /nfs/dbraw/zinc/59/56/91/945595691.db2.gz SIACJOSSNDVOIO-WFASDCNBSA-N -1 3 386.391 0.094 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cncc(F)c2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571268451 945595699 /nfs/dbraw/zinc/59/56/99/945595699.db2.gz SIACJOSSNDVOIO-WFASDCNBSA-N -1 3 386.391 0.094 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1O)[C@]12C[C@H]1CCC2 ZINC001571268533 945597386 /nfs/dbraw/zinc/59/73/86/945597386.db2.gz GRGURVPLZIFPPD-BGIGGGFGSA-N -1 3 386.431 0.857 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)c(C)[nH]1 ZINC001571268503 945598775 /nfs/dbraw/zinc/59/87/75/945598775.db2.gz ULXNYQGIZWNFPB-KGLIPLIRSA-N -1 3 386.391 0.325 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)c(C)[nH]1 ZINC001571268503 945598781 /nfs/dbraw/zinc/59/87/81/945598781.db2.gz ULXNYQGIZWNFPB-KGLIPLIRSA-N -1 3 386.391 0.325 20 0 GCADHM Cc1nnc(CNC(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)[nH]1 ZINC001571268830 945605583 /nfs/dbraw/zinc/60/55/83/945605583.db2.gz XRDSZLXFVDPLRX-UHFFFAOYSA-N -1 3 386.395 0.464 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC2CCC(NC(=O)c3n[nH]cc3F)CC2)n1 ZINC001571268833 945605609 /nfs/dbraw/zinc/60/56/09/945605609.db2.gz XSKUHZGWBOKLIG-UHFFFAOYSA-N -1 3 386.395 0.980 20 0 GCADHM Cc1cc(CN2CCCO[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)on1 ZINC001571269320 945617686 /nfs/dbraw/zinc/61/76/86/945617686.db2.gz VCVGLTHPFWVTOB-CQSZACIVSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1cc(CN2CCCO[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)on1 ZINC001571269320 945617689 /nfs/dbraw/zinc/61/76/89/945617689.db2.gz VCVGLTHPFWVTOB-CQSZACIVSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCO2)ns1 ZINC001571269695 945622958 /nfs/dbraw/zinc/62/29/58/945622958.db2.gz CIWGEYHJPVZRTB-LBPRGKRZSA-N -1 3 386.441 0.662 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCO2)ns1 ZINC001571269695 945622962 /nfs/dbraw/zinc/62/29/62/945622962.db2.gz CIWGEYHJPVZRTB-LBPRGKRZSA-N -1 3 386.441 0.662 20 0 GCADHM O=C(NCC1CCN(C(=O)c2cscn2)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571269632 945623196 /nfs/dbraw/zinc/62/31/96/945623196.db2.gz BELIPHUVJUFABC-UHFFFAOYSA-N -1 3 386.441 0.934 20 0 GCADHM O=C(NCC1CCN(C(=O)c2cscn2)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571269632 945623198 /nfs/dbraw/zinc/62/31/98/945623198.db2.gz BELIPHUVJUFABC-UHFFFAOYSA-N -1 3 386.441 0.934 20 0 GCADHM Cc1nsc(C)c1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571269638 945623692 /nfs/dbraw/zinc/62/36/92/945623692.db2.gz BHKZZZWIUOETQN-LLVKDONJSA-N -1 3 386.441 0.913 20 0 GCADHM Cc1nsc(C)c1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571269638 945623699 /nfs/dbraw/zinc/62/36/99/945623699.db2.gz BHKZZZWIUOETQN-LLVKDONJSA-N -1 3 386.441 0.913 20 0 GCADHM CCCCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821071447 945627340 /nfs/dbraw/zinc/62/73/40/945627340.db2.gz FLARWFNXKGRRHC-UHFFFAOYSA-N -1 3 394.501 0.990 20 0 GCADHM CCCCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821071447 945627357 /nfs/dbraw/zinc/62/73/57/945627357.db2.gz FLARWFNXKGRRHC-UHFFFAOYSA-N -1 3 394.501 0.990 20 0 GCADHM CCc1ncc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)s1 ZINC001571270028 945629237 /nfs/dbraw/zinc/62/92/37/945629237.db2.gz LAHORZOIJCKTDT-JTQLQIEISA-N -1 3 386.441 0.858 20 0 GCADHM CCc1ncc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)s1 ZINC001571270028 945629240 /nfs/dbraw/zinc/62/92/40/945629240.db2.gz LAHORZOIJCKTDT-JTQLQIEISA-N -1 3 386.441 0.858 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H](NC(=O)c2cnns2)C1 ZINC001571270036 945629332 /nfs/dbraw/zinc/62/93/32/945629332.db2.gz LBTLEIMUAJOHNK-LBPRGKRZSA-N -1 3 386.441 0.731 20 0 GCADHM O=C(NCC1CCN(C(=O)c2ccns2)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571269961 945629340 /nfs/dbraw/zinc/62/93/40/945629340.db2.gz IXMSAUCWPODYBM-UHFFFAOYSA-N -1 3 386.441 0.934 20 0 GCADHM O=C(NCC1CCN(C(=O)c2ccns2)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571269961 945629345 /nfs/dbraw/zinc/62/93/45/945629345.db2.gz IXMSAUCWPODYBM-UHFFFAOYSA-N -1 3 386.441 0.934 20 0 GCADHM O=C(Cc1cscn1)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571270081 945631591 /nfs/dbraw/zinc/63/15/91/945631591.db2.gz MQKIJMSFNYXCMC-UHFFFAOYSA-N -1 3 386.441 0.569 20 0 GCADHM O=C(Cc1cscn1)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571270081 945631597 /nfs/dbraw/zinc/63/15/97/945631597.db2.gz MQKIJMSFNYXCMC-UHFFFAOYSA-N -1 3 386.441 0.569 20 0 GCADHM CN(C[C@H]1CCN1C(=O)Cc1cscn1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571270294 945633485 /nfs/dbraw/zinc/63/34/85/945633485.db2.gz PIZJGSRPOGLRHR-GFCCVEGCSA-N -1 3 386.441 0.567 20 0 GCADHM CN(C[C@H]1CCN1C(=O)Cc1cscn1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571270294 945633493 /nfs/dbraw/zinc/63/34/93/945633493.db2.gz PIZJGSRPOGLRHR-GFCCVEGCSA-N -1 3 386.441 0.567 20 0 GCADHM CN(C(=O)Cc1cncs1)C1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571270360 945635252 /nfs/dbraw/zinc/63/52/52/945635252.db2.gz RGOFICZUEQYETE-UHFFFAOYSA-N -1 3 386.441 0.613 20 0 GCADHM CN(C(=O)Cc1cncs1)C1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571270360 945635260 /nfs/dbraw/zinc/63/52/60/945635260.db2.gz RGOFICZUEQYETE-UHFFFAOYSA-N -1 3 386.441 0.613 20 0 GCADHM COc1nscc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571270313 945635298 /nfs/dbraw/zinc/63/52/98/945635298.db2.gz PZOPDOBJPQXTQU-RYUDHWBXSA-N -1 3 386.441 0.759 20 0 GCADHM COc1nscc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571270313 945635308 /nfs/dbraw/zinc/63/53/08/945635308.db2.gz PZOPDOBJPQXTQU-RYUDHWBXSA-N -1 3 386.441 0.759 20 0 GCADHM Cc1ncc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C)s1 ZINC001571270329 945635587 /nfs/dbraw/zinc/63/55/87/945635587.db2.gz QGJQOTWGOMIAFD-KWQFWETISA-N -1 3 386.441 0.993 20 0 GCADHM Cc1ncc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C)s1 ZINC001571270329 945635590 /nfs/dbraw/zinc/63/55/90/945635590.db2.gz QGJQOTWGOMIAFD-KWQFWETISA-N -1 3 386.441 0.993 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)s1 ZINC001571270402 945637115 /nfs/dbraw/zinc/63/71/15/945637115.db2.gz STYYEYLZVUZBOH-AOOOYVTPSA-N -1 3 386.441 0.959 20 0 GCADHM Cc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)s1 ZINC001571270402 945637118 /nfs/dbraw/zinc/63/71/18/945637118.db2.gz STYYEYLZVUZBOH-AOOOYVTPSA-N -1 3 386.441 0.959 20 0 GCADHM Cc1nsc(N2CC[C@@H](NC(=O)c3cccnc3)[C@H](O)C2)c1-c1nnn[n-]1 ZINC001571270444 945637227 /nfs/dbraw/zinc/63/72/27/945637227.db2.gz TYYNEZBTVRRGLA-VXGBXAGGSA-N -1 3 386.441 0.396 20 0 GCADHM O=C(c1ccsn1)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571270614 945638562 /nfs/dbraw/zinc/63/85/62/945638562.db2.gz WTGFBHHIUPBKFD-MRXNPFEDSA-N -1 3 386.441 0.797 20 0 GCADHM O=C(c1ccsn1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571270614 945638564 /nfs/dbraw/zinc/63/85/64/945638564.db2.gz WTGFBHHIUPBKFD-MRXNPFEDSA-N -1 3 386.441 0.797 20 0 GCADHM NS(=O)(=O)c1ccc(CN2CC(Oc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC001571270566 945639596 /nfs/dbraw/zinc/63/95/96/945639596.db2.gz VHVMMNDOUJWTSR-UHFFFAOYSA-N -1 3 386.437 0.777 20 0 GCADHM Cc1nscc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571270707 945640128 /nfs/dbraw/zinc/64/01/28/945640128.db2.gz ZJWRFYVFAAURJX-NSHDSACASA-N -1 3 386.441 0.994 20 0 GCADHM Cc1nscc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571270707 945640135 /nfs/dbraw/zinc/64/01/35/945640135.db2.gz ZJWRFYVFAAURJX-NSHDSACASA-N -1 3 386.441 0.994 20 0 GCADHM COCc1ncc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)s1 ZINC001571270670 945640992 /nfs/dbraw/zinc/64/09/92/945640992.db2.gz YLCJOXYPEXCBEX-JTQLQIEISA-N -1 3 386.441 0.873 20 0 GCADHM COCc1ncc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)s1 ZINC001571270670 945640998 /nfs/dbraw/zinc/64/09/98/945640998.db2.gz YLCJOXYPEXCBEX-JTQLQIEISA-N -1 3 386.441 0.873 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3ccsn3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571270719 945641437 /nfs/dbraw/zinc/64/14/37/945641437.db2.gz ZRFHZKJRXWNWMJ-AAEUAGOBSA-N -1 3 386.441 0.396 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3ccsn3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571270719 945641442 /nfs/dbraw/zinc/64/14/42/945641442.db2.gz ZRFHZKJRXWNWMJ-AAEUAGOBSA-N -1 3 386.441 0.396 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3ccsn3)[C@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571270721 945642861 /nfs/dbraw/zinc/64/28/61/945642861.db2.gz ZRFHZKJRXWNWMJ-WCQYABFASA-N -1 3 386.441 0.396 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3ccsn3)[C@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571270721 945642864 /nfs/dbraw/zinc/64/28/64/945642864.db2.gz ZRFHZKJRXWNWMJ-WCQYABFASA-N -1 3 386.441 0.396 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000821155212 945644874 /nfs/dbraw/zinc/64/48/74/945644874.db2.gz XNTNHESCSKPKEN-CYBMUJFWSA-N -1 3 379.442 0.590 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)[C@H]3CN(C)CCO3)C2)ccc1-c1nn[n-]n1 ZINC001571272598 945667412 /nfs/dbraw/zinc/66/74/12/945667412.db2.gz FVDGFGHWWUABNK-SSDMNJCBSA-N -1 3 386.460 0.207 20 0 GCADHM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821319869 945667607 /nfs/dbraw/zinc/66/76/07/945667607.db2.gz IQLMULYVUULJDN-LBPRGKRZSA-N -1 3 376.373 0.296 20 0 GCADHM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821319869 945667614 /nfs/dbraw/zinc/66/76/14/945667614.db2.gz IQLMULYVUULJDN-LBPRGKRZSA-N -1 3 376.373 0.296 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1CC(=O)N1CCCCC1 ZINC001571272703 945669850 /nfs/dbraw/zinc/66/98/50/945669850.db2.gz HTMJSRHGJVSRJD-OLZOCXBDSA-N -1 3 386.460 0.400 20 0 GCADHM O=C(CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)NC1CCCC1 ZINC001571272858 945673015 /nfs/dbraw/zinc/67/30/15/945673015.db2.gz JOISDXROEZSYDN-CQSZACIVSA-N -1 3 386.460 0.448 20 0 GCADHM O=C(CN1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)NC1CCCC1 ZINC001571272858 945673020 /nfs/dbraw/zinc/67/30/20/945673020.db2.gz JOISDXROEZSYDN-CQSZACIVSA-N -1 3 386.460 0.448 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C)n1 ZINC001571273524 945690592 /nfs/dbraw/zinc/69/05/92/945690592.db2.gz YXJKDYDJIHUUIH-WFASDCNBSA-N -1 3 386.460 0.161 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CN(C(=O)CN3CCOCC3)C[C@@H]2C)n1 ZINC001571273524 945690598 /nfs/dbraw/zinc/69/05/98/945690598.db2.gz YXJKDYDJIHUUIH-WFASDCNBSA-N -1 3 386.460 0.161 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821440751 945695820 /nfs/dbraw/zinc/69/58/20/945695820.db2.gz BIOOFGZQICVPGL-LBPRGKRZSA-N -1 3 393.473 0.605 20 0 GCADHM CCS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821440751 945695826 /nfs/dbraw/zinc/69/58/26/945695826.db2.gz BIOOFGZQICVPGL-LBPRGKRZSA-N -1 3 393.473 0.605 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2F)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571275086 945702426 /nfs/dbraw/zinc/70/24/26/945702426.db2.gz ORVYNFZADCFHTD-WCBMZHEXSA-N -1 3 387.379 0.480 20 0 GCADHM Cc1cnoc1C(=O)NC[C@H]1COCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001571275303 945704465 /nfs/dbraw/zinc/70/44/65/945704465.db2.gz RXGRRLOOCFQMIY-NSHDSACASA-N -1 3 387.375 0.937 20 0 GCADHM Cc1cnoc1C(=O)NC[C@H]1COCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001571275303 945704474 /nfs/dbraw/zinc/70/44/74/945704474.db2.gz RXGRRLOOCFQMIY-NSHDSACASA-N -1 3 387.375 0.937 20 0 GCADHM COCc1nocc1C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001571275502 945706830 /nfs/dbraw/zinc/70/68/30/945706830.db2.gz VDNCLTBMYABALP-UHFFFAOYSA-N -1 3 387.375 0.754 20 0 GCADHM COCc1nocc1C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001571275502 945706837 /nfs/dbraw/zinc/70/68/37/945706837.db2.gz VDNCLTBMYABALP-UHFFFAOYSA-N -1 3 387.375 0.754 20 0 GCADHM Cc1ocnc1C(=O)NC[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001571275481 945706953 /nfs/dbraw/zinc/70/69/53/945706953.db2.gz UWEMQJILXPIUCO-NSHDSACASA-N -1 3 387.375 0.937 20 0 GCADHM Cc1ocnc1C(=O)NC[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001571275481 945706958 /nfs/dbraw/zinc/70/69/58/945706958.db2.gz UWEMQJILXPIUCO-NSHDSACASA-N -1 3 387.375 0.937 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCO1)c1ccon1 ZINC001571275442 945707651 /nfs/dbraw/zinc/70/76/51/945707651.db2.gz UKDGDCOXNBWQHA-LBPRGKRZSA-N -1 3 387.375 0.625 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CCO1)c1ccon1 ZINC001571275442 945707659 /nfs/dbraw/zinc/70/76/59/945707659.db2.gz UKDGDCOXNBWQHA-LBPRGKRZSA-N -1 3 387.375 0.625 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3cc(-c4nnn[n-]4)ccc3F)C[C@H]2O)on1 ZINC001571275579 945708654 /nfs/dbraw/zinc/70/86/54/945708654.db2.gz XTWGWDUZRDRELH-ZIAGYGMSSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C[C@H]2O)on1 ZINC001571275579 945708662 /nfs/dbraw/zinc/70/86/62/945708662.db2.gz XTWGWDUZRDRELH-ZIAGYGMSSA-N -1 3 387.375 0.277 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)N1CCCC1 ZINC001571275663 945710913 /nfs/dbraw/zinc/71/09/13/945710913.db2.gz AFEQOVXTWUYPQI-STQMWFEESA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H]1CN(C(=O)CCN2CCOCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571275840 945715695 /nfs/dbraw/zinc/71/56/95/945715695.db2.gz DDNPFAMSCOGQCB-BBRMVZONSA-N -1 3 386.460 0.243 20 0 GCADHM C[C@H]1CN(C(=O)CCN2CCOCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571275840 945715706 /nfs/dbraw/zinc/71/57/06/945715706.db2.gz DDNPFAMSCOGQCB-BBRMVZONSA-N -1 3 386.460 0.243 20 0 GCADHM C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571275842 945716336 /nfs/dbraw/zinc/71/63/36/945716336.db2.gz DDNPFAMSCOGQCB-CZUORRHYSA-N -1 3 386.460 0.243 20 0 GCADHM C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571275842 945716340 /nfs/dbraw/zinc/71/63/40/945716340.db2.gz DDNPFAMSCOGQCB-CZUORRHYSA-N -1 3 386.460 0.243 20 0 GCADHM CCO[C@H]1C[C@@H]1C(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001571275973 945720380 /nfs/dbraw/zinc/72/03/80/945720380.db2.gz ATUHUKFGKFRZST-XFMPKHEZSA-N -1 3 387.419 0.720 20 0 GCADHM CCO[C@H]1C[C@@H]1C(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001571275973 945720386 /nfs/dbraw/zinc/72/03/86/945720386.db2.gz ATUHUKFGKFRZST-XFMPKHEZSA-N -1 3 387.419 0.720 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571275994 945721270 /nfs/dbraw/zinc/72/12/70/945721270.db2.gz BKALYCQHCGTBHV-VXGBXAGGSA-N -1 3 387.419 0.760 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571275994 945721280 /nfs/dbraw/zinc/72/12/80/945721280.db2.gz BKALYCQHCGTBHV-VXGBXAGGSA-N -1 3 387.419 0.760 20 0 GCADHM CO[C@@H]1CN([C@@H](C)c2nnc(C)o2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571275990 945721563 /nfs/dbraw/zinc/72/15/63/945721563.db2.gz BGFZSPYRTNPUNQ-ZEGGKSINSA-N -1 3 387.404 0.076 20 0 GCADHM CO[C@@H]1CN([C@@H](C)c2nnc(C)o2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571275990 945721569 /nfs/dbraw/zinc/72/15/69/945721569.db2.gz BGFZSPYRTNPUNQ-ZEGGKSINSA-N -1 3 387.404 0.076 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571276076 945722654 /nfs/dbraw/zinc/72/26/54/945722654.db2.gz GVWJSAPPKLSXTA-HUUCEWRRSA-N -1 3 386.460 0.020 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571276076 945722664 /nfs/dbraw/zinc/72/26/64/945722664.db2.gz GVWJSAPPKLSXTA-HUUCEWRRSA-N -1 3 386.460 0.020 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001571276019 945723003 /nfs/dbraw/zinc/72/30/03/945723003.db2.gz CKBJSKXQPCSIJP-FHGNATFXSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001571276019 945723011 /nfs/dbraw/zinc/72/30/11/945723011.db2.gz CKBJSKXQPCSIJP-FHGNATFXSA-N -1 3 387.419 0.981 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC001571276145 945724965 /nfs/dbraw/zinc/72/49/65/945724965.db2.gz HZUAYEXAGFEHON-AWEZNQCLSA-N -1 3 386.456 0.946 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571276230 945727933 /nfs/dbraw/zinc/72/79/33/945727933.db2.gz FVFGKDWDJWMUJT-FIRSIQCYSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571276230 945727940 /nfs/dbraw/zinc/72/79/40/945727940.db2.gz FVFGKDWDJWMUJT-FIRSIQCYSA-N -1 3 387.419 0.767 20 0 GCADHM Cc1nc([C@H](C)N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571276251 945728151 /nfs/dbraw/zinc/72/81/51/945728151.db2.gz GCQKRGLSWQGNQX-CABZTGNLSA-N -1 3 387.404 0.078 20 0 GCADHM Cc1nc([C@H](C)N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571276251 945728159 /nfs/dbraw/zinc/72/81/59/945728159.db2.gz GCQKRGLSWQGNQX-CABZTGNLSA-N -1 3 387.404 0.078 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001571276589 945731974 /nfs/dbraw/zinc/73/19/74/945731974.db2.gz JIFBDOHCZAGLKW-KBPBESRZSA-N -1 3 386.460 0.243 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001571276589 945731981 /nfs/dbraw/zinc/73/19/81/945731981.db2.gz JIFBDOHCZAGLKW-KBPBESRZSA-N -1 3 386.460 0.243 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@H]1CCNC(=O)C1 ZINC001571276604 945732217 /nfs/dbraw/zinc/73/22/17/945732217.db2.gz IJBFTIKBVJRBIF-JSGCOSHPSA-N -1 3 387.419 0.223 20 0 GCADHM COCc1noc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)n1 ZINC001571276354 945732956 /nfs/dbraw/zinc/73/29/56/945732956.db2.gz IEVTVLUTIOAKNH-GXSJLCMTSA-N -1 3 387.404 0.117 20 0 GCADHM COCc1noc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)n1 ZINC001571276354 945732966 /nfs/dbraw/zinc/73/29/66/945732966.db2.gz IEVTVLUTIOAKNH-GXSJLCMTSA-N -1 3 387.404 0.117 20 0 GCADHM CCN1C[C@@H](C(=O)NC2CN(Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)CC1=O ZINC001571276727 945735722 /nfs/dbraw/zinc/73/57/22/945735722.db2.gz KJSCIANNYYLKIF-LBPRGKRZSA-N -1 3 387.419 0.175 20 0 GCADHM CCN1C[C@@H](C(=O)NC2CN(Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)CC1=O ZINC001571276727 945735731 /nfs/dbraw/zinc/73/57/31/945735731.db2.gz KJSCIANNYYLKIF-LBPRGKRZSA-N -1 3 387.419 0.175 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](c2cnccn2)C1 ZINC001571276732 945736345 /nfs/dbraw/zinc/73/63/45/945736345.db2.gz KNZYFQGMJVVWFB-GFCCVEGCSA-N -1 3 387.425 0.844 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](c2cnccn2)C1 ZINC001571276732 945736351 /nfs/dbraw/zinc/73/63/51/945736351.db2.gz KNZYFQGMJVVWFB-GFCCVEGCSA-N -1 3 387.425 0.844 20 0 GCADHM CO[C@@H](C(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)C1CC1 ZINC001571277010 945738762 /nfs/dbraw/zinc/73/87/62/945738762.db2.gz MSFSFSACQMMFFL-NILFDRSVSA-N -1 3 387.419 0.863 20 0 GCADHM CO[C@@H](C(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)C1CC1 ZINC001571277010 945738767 /nfs/dbraw/zinc/73/87/67/945738767.db2.gz MSFSFSACQMMFFL-NILFDRSVSA-N -1 3 387.419 0.863 20 0 GCADHM COCc1noc(CNC2CC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571277386 945741134 /nfs/dbraw/zinc/74/11/34/945741134.db2.gz PSDCCMZWDHZROA-UHFFFAOYSA-N -1 3 387.404 0.117 20 0 GCADHM COCc1noc(CNC2CC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571277386 945741143 /nfs/dbraw/zinc/74/11/43/945741143.db2.gz PSDCCMZWDHZROA-UHFFFAOYSA-N -1 3 387.404 0.117 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571277449 945743509 /nfs/dbraw/zinc/74/35/09/945743509.db2.gz RDXVRWTWTONGSC-AWEZNQCLSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571277449 945743517 /nfs/dbraw/zinc/74/35/17/945743517.db2.gz RDXVRWTWTONGSC-AWEZNQCLSA-N -1 3 387.419 0.175 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3cccc(F)c3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001571277756 945747185 /nfs/dbraw/zinc/74/71/85/945747185.db2.gz SQVPHXBOZBMVTL-GWCFXTLKSA-N -1 3 387.419 0.885 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3cccc(F)c3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001571277756 945747196 /nfs/dbraw/zinc/74/71/96/945747196.db2.gz SQVPHXBOZBMVTL-GWCFXTLKSA-N -1 3 387.419 0.885 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCNC2=O)CCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001571278080 945748476 /nfs/dbraw/zinc/74/84/76/945748476.db2.gz VPWKECVTEYCHMD-WZRBSPASSA-N -1 3 387.419 0.615 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C[C@H]2CCNC2=O)CCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001571278080 945748482 /nfs/dbraw/zinc/74/84/82/945748482.db2.gz VPWKECVTEYCHMD-WZRBSPASSA-N -1 3 387.419 0.615 20 0 GCADHM COc1ncc(NC(=O)N2CCC(N3CCNC3=O)CC2)cc1-c1nnn[n-]1 ZINC001571278102 945749650 /nfs/dbraw/zinc/74/96/50/945749650.db2.gz VVSJBFMUSHUWFQ-UHFFFAOYSA-N -1 3 387.404 0.292 20 0 GCADHM CN(c1cccc(F)c1-c1nnn[n-]1)[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001571278337 945751541 /nfs/dbraw/zinc/75/15/41/945751541.db2.gz YAIHLXYLABGRGR-WCQYABFASA-N -1 3 387.419 0.712 20 0 GCADHM CN(c1cccc(F)c1-c1nn[n-]n1)[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001571278337 945751546 /nfs/dbraw/zinc/75/15/46/945751546.db2.gz YAIHLXYLABGRGR-WCQYABFASA-N -1 3 387.419 0.712 20 0 GCADHM CCN1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571278473 945752970 /nfs/dbraw/zinc/75/29/70/945752970.db2.gz NTKIQNLTGVSZAH-YDHLFZDLSA-N -1 3 386.460 0.289 20 0 GCADHM CCN1CCO[C@H](C(=O)N[C@H]2C[C@H](CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571278473 945752977 /nfs/dbraw/zinc/75/29/77/945752977.db2.gz NTKIQNLTGVSZAH-YDHLFZDLSA-N -1 3 386.460 0.289 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571278660 945758480 /nfs/dbraw/zinc/75/84/80/945758480.db2.gz QIWANGUFFSIDJC-UKRRQHHQSA-N -1 3 386.460 0.100 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571278660 945758489 /nfs/dbraw/zinc/75/84/89/945758489.db2.gz QIWANGUFFSIDJC-UKRRQHHQSA-N -1 3 386.460 0.100 20 0 GCADHM C[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571278789 945760361 /nfs/dbraw/zinc/76/03/61/945760361.db2.gz CCPZGLRPSKMYNE-RKDXNWHRSA-N -1 3 387.429 0.639 20 0 GCADHM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001571278752 945760422 /nfs/dbraw/zinc/76/04/22/945760422.db2.gz BLKOKRVUVFIBSC-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001571278752 945760432 /nfs/dbraw/zinc/76/04/32/945760432.db2.gz BLKOKRVUVFIBSC-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821631773 945760690 /nfs/dbraw/zinc/76/06/90/945760690.db2.gz RZCNTYAGBPUSGF-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821631773 945760697 /nfs/dbraw/zinc/76/06/97/945760697.db2.gz RZCNTYAGBPUSGF-NSHDSACASA-N -1 3 377.792 0.196 20 0 GCADHM C[C@H](C(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001571278774 945761361 /nfs/dbraw/zinc/76/13/61/945761361.db2.gz BXHRILVDFDPOJW-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001571278774 945761366 /nfs/dbraw/zinc/76/13/66/945761366.db2.gz BXHRILVDFDPOJW-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM COc1ccsc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571278846 945762267 /nfs/dbraw/zinc/76/22/67/945762267.db2.gz DMIAZMWTKNNKGX-MGCOHNPYSA-N -1 3 387.425 0.956 20 0 GCADHM COc1ccsc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571278846 945762274 /nfs/dbraw/zinc/76/22/74/945762274.db2.gz DMIAZMWTKNNKGX-MGCOHNPYSA-N -1 3 387.425 0.956 20 0 GCADHM C[C@@H]1C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCO1 ZINC001571278824 945762298 /nfs/dbraw/zinc/76/22/98/945762298.db2.gz CYYOTQVLFGUNCY-HKUMRIAESA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H]1C[C@H](C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCO1 ZINC001571278824 945762306 /nfs/dbraw/zinc/76/23/06/945762306.db2.gz CYYOTQVLFGUNCY-HKUMRIAESA-N -1 3 387.444 0.635 20 0 GCADHM COc1ccc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C2)nn1 ZINC001571278814 945762592 /nfs/dbraw/zinc/76/25/92/945762592.db2.gz CPAIAKGJCRGOSX-VIFPVBQESA-N -1 3 387.429 0.439 20 0 GCADHM CCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC2(CCOCC2)C1 ZINC001571278832 945762979 /nfs/dbraw/zinc/76/29/79/945762979.db2.gz DEBNMVHKSRQKRU-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC2(CCOCC2)C1 ZINC001571278832 945762988 /nfs/dbraw/zinc/76/29/88/945762988.db2.gz DEBNMVHKSRQKRU-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCCOC1 ZINC001571278842 945763310 /nfs/dbraw/zinc/76/33/10/945763310.db2.gz DJFOCEXBRQVTQE-GOSISDBHSA-N -1 3 387.444 0.686 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCCOC1 ZINC001571278842 945763314 /nfs/dbraw/zinc/76/33/14/945763314.db2.gz DJFOCEXBRQVTQE-GOSISDBHSA-N -1 3 387.444 0.686 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)C[C@H]1CCCCO1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571279048 945767355 /nfs/dbraw/zinc/76/73/55/945767355.db2.gz HGSWHSAYGFBOCR-QWHCGFSZSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)C[C@H]1CCCCO1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571279048 945767365 /nfs/dbraw/zinc/76/73/65/945767365.db2.gz HGSWHSAYGFBOCR-QWHCGFSZSA-N -1 3 387.444 0.827 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571278994 945767552 /nfs/dbraw/zinc/76/75/52/945767552.db2.gz UJHLYLVSDLDGLT-LLVKDONJSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571278994 945767558 /nfs/dbraw/zinc/76/75/58/945767558.db2.gz UJHLYLVSDLDGLT-LLVKDONJSA-N -1 3 386.460 0.398 20 0 GCADHM CC1(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001571279031 945767718 /nfs/dbraw/zinc/76/77/18/945767718.db2.gz GSSHLMHSBXHKSB-UHFFFAOYSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001571279031 945767722 /nfs/dbraw/zinc/76/77/22/945767722.db2.gz GSSHLMHSBXHKSB-UHFFFAOYSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)C1(C)C ZINC001571279080 945768596 /nfs/dbraw/zinc/76/85/96/945768596.db2.gz IJADHSSETUWXEC-VXGBXAGGSA-N -1 3 387.444 0.179 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)C1(C)C ZINC001571279080 945768601 /nfs/dbraw/zinc/76/86/01/945768601.db2.gz IJADHSSETUWXEC-VXGBXAGGSA-N -1 3 387.444 0.179 20 0 GCADHM C[C@](O)(CC(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001571279089 945769258 /nfs/dbraw/zinc/76/92/58/945769258.db2.gz IMKMARDAUDANIA-SFHVURJKSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@](O)(CC(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001571279089 945769265 /nfs/dbraw/zinc/76/92/65/945769265.db2.gz IMKMARDAUDANIA-SFHVURJKSA-N -1 3 387.444 0.467 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@H]1CCCCO1 ZINC001571279112 945769779 /nfs/dbraw/zinc/76/97/79/945769779.db2.gz IXZSKPLWLAVYIG-SWLSCSKDSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@H]1CCCCO1 ZINC001571279112 945769783 /nfs/dbraw/zinc/76/97/83/945769783.db2.gz IXZSKPLWLAVYIG-SWLSCSKDSA-N -1 3 387.444 0.827 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571279122 945769911 /nfs/dbraw/zinc/76/99/11/945769911.db2.gz JFFBEBJWHSWMDL-HIFRSBDPSA-N -1 3 387.444 0.731 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571279122 945769918 /nfs/dbraw/zinc/76/99/18/945769918.db2.gz JFFBEBJWHSWMDL-HIFRSBDPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001571279144 945771101 /nfs/dbraw/zinc/77/11/01/945771101.db2.gz JUHVANZBKCPMQX-PZROIBLQSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001571279144 945771112 /nfs/dbraw/zinc/77/11/12/945771112.db2.gz JUHVANZBKCPMQX-PZROIBLQSA-N -1 3 387.444 0.636 20 0 GCADHM Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001571279169 945771586 /nfs/dbraw/zinc/77/15/86/945771586.db2.gz KKPNCHBBWHPZSG-VIFPVBQESA-N -1 3 387.425 0.709 20 0 GCADHM Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001571279169 945771590 /nfs/dbraw/zinc/77/15/90/945771590.db2.gz KKPNCHBBWHPZSG-VIFPVBQESA-N -1 3 387.425 0.709 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC(NC(=O)CC2CCOCC2)C1 ZINC001571279266 945773237 /nfs/dbraw/zinc/77/32/37/945773237.db2.gz MNTNMTMBMGPEBA-UHFFFAOYSA-N -1 3 387.444 0.731 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC(NC(=O)CC2CCOCC2)C1 ZINC001571279266 945773244 /nfs/dbraw/zinc/77/32/44/945773244.db2.gz MNTNMTMBMGPEBA-UHFFFAOYSA-N -1 3 387.444 0.731 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 ZINC001571279242 945773684 /nfs/dbraw/zinc/77/36/84/945773684.db2.gz LVALQYWCHRNBNS-TZMCWYRMSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(C(=O)[C@@H]2CCCOCC2)C1 ZINC001571279242 945773691 /nfs/dbraw/zinc/77/36/91/945773691.db2.gz LVALQYWCHRNBNS-TZMCWYRMSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)C[C@](C)(O)C2CC2)C1 ZINC001571279440 945777482 /nfs/dbraw/zinc/77/74/82/945777482.db2.gz OPROHHLICBJAIL-ACJLOTCBSA-N -1 3 387.444 0.419 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)C[C@](C)(O)C2CC2)C1 ZINC001571279440 945777488 /nfs/dbraw/zinc/77/74/88/945777488.db2.gz OPROHHLICBJAIL-ACJLOTCBSA-N -1 3 387.444 0.419 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821654226 945778062 /nfs/dbraw/zinc/77/80/62/945778062.db2.gz XOPPMKBSAMFTGU-CHWSQXEVSA-N -1 3 386.412 0.575 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821654226 945778070 /nfs/dbraw/zinc/77/80/70/945778070.db2.gz XOPPMKBSAMFTGU-CHWSQXEVSA-N -1 3 386.412 0.575 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001571279468 945779691 /nfs/dbraw/zinc/77/96/91/945779691.db2.gz PORHCCOWAOEQEK-RTWAVKEYSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001571279468 945779696 /nfs/dbraw/zinc/77/96/96/945779696.db2.gz PORHCCOWAOEQEK-RTWAVKEYSA-N -1 3 387.444 0.635 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001571279519 945779727 /nfs/dbraw/zinc/77/97/27/945779727.db2.gz RAAFSUQJGQYPFD-SMDDNHRTSA-N -1 3 387.444 0.450 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001571279519 945779733 /nfs/dbraw/zinc/77/97/33/945779733.db2.gz RAAFSUQJGQYPFD-SMDDNHRTSA-N -1 3 387.444 0.450 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001571279517 945779847 /nfs/dbraw/zinc/77/98/47/945779847.db2.gz RAAFSUQJGQYPFD-FZMZJTMJSA-N -1 3 387.444 0.450 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001571279517 945779854 /nfs/dbraw/zinc/77/98/54/945779854.db2.gz RAAFSUQJGQYPFD-FZMZJTMJSA-N -1 3 387.444 0.450 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)CC2OCCCO2)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571279521 945779994 /nfs/dbraw/zinc/77/99/94/945779994.db2.gz RBAYDHBITXLVJA-GXTWGEPZSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)CC2OCCCO2)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571279521 945780001 /nfs/dbraw/zinc/78/00/01/945780001.db2.gz RBAYDHBITXLVJA-GXTWGEPZSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@H]1CN(C(=O)CC2OCCCO2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571279508 945780043 /nfs/dbraw/zinc/78/00/43/945780043.db2.gz QOAULXSKAVXMSG-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H]1CN(C(=O)CC2OCCCO2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571279508 945780049 /nfs/dbraw/zinc/78/00/49/945780049.db2.gz QOAULXSKAVXMSG-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC(NC(=O)C2(C)CCOCC2)C1 ZINC001571279495 945780185 /nfs/dbraw/zinc/78/01/85/945780185.db2.gz QEAYKHDOGYUSPC-UHFFFAOYSA-N -1 3 387.444 0.731 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC(NC(=O)C2(C)CCOCC2)C1 ZINC001571279495 945780191 /nfs/dbraw/zinc/78/01/91/945780191.db2.gz QEAYKHDOGYUSPC-UHFFFAOYSA-N -1 3 387.444 0.731 20 0 GCADHM COC(=O)C[C@@H](C)N1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821657207 945781752 /nfs/dbraw/zinc/78/17/52/945781752.db2.gz KGYJIWDSZHWZKL-CYBMUJFWSA-N -1 3 388.428 0.341 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279714 945785891 /nfs/dbraw/zinc/78/58/91/945785891.db2.gz TZFZOKXYJLWCMT-HMILFGGKSA-N -1 3 387.444 0.635 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279714 945785901 /nfs/dbraw/zinc/78/59/01/945785901.db2.gz TZFZOKXYJLWCMT-HMILFGGKSA-N -1 3 387.444 0.635 20 0 GCADHM COc1ccc(CN2CCO[C@@H](CNC(=O)[C@@H]3C[C@H]3C)C2)cc1-c1nnn[n-]1 ZINC001571279696 945786167 /nfs/dbraw/zinc/78/61/67/945786167.db2.gz YAVLSBVOKBLLRU-VHDGCEQUSA-N -1 3 386.456 0.848 20 0 GCADHM COc1ccc(CN2CCO[C@@H](CNC(=O)[C@@H]3C[C@H]3C)C2)cc1-c1nn[n-]n1 ZINC001571279696 945786175 /nfs/dbraw/zinc/78/61/75/945786175.db2.gz YAVLSBVOKBLLRU-VHDGCEQUSA-N -1 3 386.456 0.848 20 0 GCADHM C[C@@](O)(CC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001571279855 945791115 /nfs/dbraw/zinc/79/11/15/945791115.db2.gz XYYORHQCGAVLEH-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@](O)(CC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001571279855 945791121 /nfs/dbraw/zinc/79/11/21/945791121.db2.gz XYYORHQCGAVLEH-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM CO[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1)C1CC1 ZINC001571279896 945791345 /nfs/dbraw/zinc/79/13/45/945791345.db2.gz YTGGACRXLOQOET-ZIAGYGMSSA-N -1 3 387.444 0.587 20 0 GCADHM CO[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1)C1CC1 ZINC001571279896 945791352 /nfs/dbraw/zinc/79/13/52/945791352.db2.gz YTGGACRXLOQOET-ZIAGYGMSSA-N -1 3 387.444 0.587 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)C2(C)CCOCC2)C1 ZINC001571279904 945791499 /nfs/dbraw/zinc/79/14/99/945791499.db2.gz ZBVAINXBBPTYLC-ZDUSSCGKSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)C2(C)CCOCC2)C1 ZINC001571279904 945791505 /nfs/dbraw/zinc/79/15/05/945791505.db2.gz ZBVAINXBBPTYLC-ZDUSSCGKSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@](O)(CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001571279856 945791612 /nfs/dbraw/zinc/79/16/12/945791612.db2.gz XYYORHQCGAVLEH-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@](O)(CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001571279856 945791621 /nfs/dbraw/zinc/79/16/21/945791621.db2.gz XYYORHQCGAVLEH-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnns1 ZINC001571279935 945792464 /nfs/dbraw/zinc/79/24/64/945792464.db2.gz ZTHLKKPYCCDDLQ-VIFPVBQESA-N -1 3 387.429 0.329 20 0 GCADHM O=C(NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnns1 ZINC001571279935 945792469 /nfs/dbraw/zinc/79/24/69/945792469.db2.gz ZTHLKKPYCCDDLQ-VIFPVBQESA-N -1 3 387.429 0.329 20 0 GCADHM CO[C@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571279938 945792627 /nfs/dbraw/zinc/79/26/27/945792627.db2.gz ZTVVAYGKBVRPJV-NHULGOKLSA-N -1 3 387.444 0.635 20 0 GCADHM CO[C@H]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571279938 945792634 /nfs/dbraw/zinc/79/26/34/945792634.db2.gz ZTVVAYGKBVRPJV-NHULGOKLSA-N -1 3 387.444 0.635 20 0 GCADHM Cc1nsc(N2C[C@@H](CNC(=O)c3cn(C)cn3)[C@H](C)C2)c1-c1nnn[n-]1 ZINC001571281064 945798768 /nfs/dbraw/zinc/79/87/68/945798768.db2.gz BQSLIPJKFSRYLD-MWLCHTKSSA-N -1 3 387.473 0.867 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573447461 945802323 /nfs/dbraw/zinc/80/23/23/945802323.db2.gz YXTGDFNILILOJT-IINYFYTJSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573447461 945802334 /nfs/dbraw/zinc/80/23/34/945802334.db2.gz YXTGDFNILILOJT-IINYFYTJSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-n1ncc(-c2nnn[n-]2)c1N ZINC001573448117 945802986 /nfs/dbraw/zinc/80/29/86/945802986.db2.gz GCFXHFOSFMCSQU-CQSZACIVSA-N -1 3 381.400 0.584 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-n1ncc(-c2nn[n-]n2)c1N ZINC001573448117 945802993 /nfs/dbraw/zinc/80/29/93/945802993.db2.gz GCFXHFOSFMCSQU-CQSZACIVSA-N -1 3 381.400 0.584 20 0 GCADHM COC[C@@]1(C)CC(=O)N(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000821683919 945807795 /nfs/dbraw/zinc/80/77/95/945807795.db2.gz NPHIFHAVXQYDCH-IBGZPJMESA-N -1 3 385.472 0.831 20 0 GCADHM COC[C@@]1(C)CC(=O)N(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000821683919 945807805 /nfs/dbraw/zinc/80/78/05/945807805.db2.gz NPHIFHAVXQYDCH-IBGZPJMESA-N -1 3 385.472 0.831 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573448759 945809219 /nfs/dbraw/zinc/80/92/19/945809219.db2.gz MIPDCAKEGBCFEP-DZGCQCFKSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573448759 945809232 /nfs/dbraw/zinc/80/92/32/945809232.db2.gz MIPDCAKEGBCFEP-DZGCQCFKSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573448724 945810496 /nfs/dbraw/zinc/81/04/96/945810496.db2.gz LKYDQUZNXBGKGH-HUUCEWRRSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573448724 945810510 /nfs/dbraw/zinc/81/05/10/945810510.db2.gz LKYDQUZNXBGKGH-HUUCEWRRSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573448760 945810587 /nfs/dbraw/zinc/81/05/87/945810587.db2.gz MIPDCAKEGBCFEP-UKRRQHHQSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573448760 945810602 /nfs/dbraw/zinc/81/06/02/945810602.db2.gz MIPDCAKEGBCFEP-UKRRQHHQSA-N -1 3 384.444 0.215 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(C)CC[C@H](C)O ZINC000821688259 945815176 /nfs/dbraw/zinc/81/51/76/945815176.db2.gz DSWAARVOMODJTM-LBPRGKRZSA-N -1 3 393.492 0.963 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN(C)CC[C@H](C)O ZINC000821688259 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O=C(CC1CCOCC1)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571282885 945866288 /nfs/dbraw/zinc/86/62/88/945866288.db2.gz ULIMQTUMFGFILF-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001573453763 945866529 /nfs/dbraw/zinc/86/65/29/945866529.db2.gz PNPPQAXGCMJMFC-BDJLRTHQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573453763 945866544 /nfs/dbraw/zinc/86/65/44/945866544.db2.gz PNPPQAXGCMJMFC-BDJLRTHQSA-N -1 3 386.460 0.873 20 0 GCADHM Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCCO3)C2)ccc1-c1nnn[n-]1 ZINC001571282874 945866823 /nfs/dbraw/zinc/86/68/23/945866823.db2.gz TYCOCFZMBWPPFI-BPLDGKMQSA-N -1 3 387.444 0.195 20 0 GCADHM Cc1nc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCCO3)C2)ccc1-c1nn[n-]n1 ZINC001571282874 945866832 /nfs/dbraw/zinc/86/68/32/945866832.db2.gz TYCOCFZMBWPPFI-BPLDGKMQSA-N -1 3 387.444 0.195 20 0 GCADHM 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/nfs/dbraw/zinc/87/41/62/945874162.db2.gz YAQNRTYKCROFCQ-ZIAGYGMSSA-N -1 3 387.444 0.718 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573454315 945874297 /nfs/dbraw/zinc/87/42/97/945874297.db2.gz XLNXANRBRABQTL-INIZCTEOSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573454315 945874312 /nfs/dbraw/zinc/87/43/12/945874312.db2.gz XLNXANRBRABQTL-INIZCTEOSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CN(C)c1ncccc1-c1nnn[n-]1)C(C)C ZINC001573454301 945874817 /nfs/dbraw/zinc/87/48/17/945874817.db2.gz WWCNCSDHVHLVCC-KZULUSFZSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CN(C)c1ncccc1-c1nn[n-]n1)C(C)C ZINC001573454301 945874832 /nfs/dbraw/zinc/87/48/32/945874832.db2.gz WWCNCSDHVHLVCC-KZULUSFZSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001573454576 945878424 /nfs/dbraw/zinc/87/84/24/945878424.db2.gz ZVJSKHKLVFXRNX-MRXNPFEDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573454576 945878432 /nfs/dbraw/zinc/87/84/32/945878432.db2.gz ZVJSKHKLVFXRNX-MRXNPFEDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573455552 945881466 /nfs/dbraw/zinc/88/14/66/945881466.db2.gz DVUGSHQFFKHBBY-UHFFFAOYSA-N -1 3 392.439 0.600 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573455552 945881479 /nfs/dbraw/zinc/88/14/79/945881479.db2.gz DVUGSHQFFKHBBY-UHFFFAOYSA-N -1 3 392.439 0.600 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573455288 945883000 /nfs/dbraw/zinc/88/30/00/945883000.db2.gz BZIDWPNDFIPFMJ-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573455288 945883008 /nfs/dbraw/zinc/88/30/08/945883008.db2.gz BZIDWPNDFIPFMJ-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573455290 945883216 /nfs/dbraw/zinc/88/32/16/945883216.db2.gz BZIDWPNDFIPFMJ-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573455290 945883224 /nfs/dbraw/zinc/88/32/24/945883224.db2.gz BZIDWPNDFIPFMJ-WCQYABFASA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC001573455833 945885131 /nfs/dbraw/zinc/88/51/31/945885131.db2.gz GYICGYNHAQQIKN-DGCLKSJQSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC001573455833 945885144 /nfs/dbraw/zinc/88/51/44/945885144.db2.gz GYICGYNHAQQIKN-DGCLKSJQSA-N -1 3 386.460 0.683 20 0 GCADHM C[C@H]1C[C@@H]1C(=O)N1CCN(C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CC1 ZINC001571283422 945886286 /nfs/dbraw/zinc/88/62/86/945886286.db2.gz FQESLXLFGDRRNI-WFASDCNBSA-N -1 3 387.513 0.913 20 0 GCADHM C[C@H]1C[C@@H]1C(=O)N1CCN(C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)CC1 ZINC001571283422 945886292 /nfs/dbraw/zinc/88/62/92/945886292.db2.gz FQESLXLFGDRRNI-WFASDCNBSA-N -1 3 387.513 0.913 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573455917 945886961 /nfs/dbraw/zinc/88/69/61/945886961.db2.gz HYQMGWHWTQQNHV-ZDUSSCGKSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573455917 945886970 /nfs/dbraw/zinc/88/69/70/945886970.db2.gz HYQMGWHWTQQNHV-ZDUSSCGKSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573455867 945887018 /nfs/dbraw/zinc/88/70/18/945887018.db2.gz HQKLMCNYDYBGCZ-CQSZACIVSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573455867 945887027 /nfs/dbraw/zinc/88/70/27/945887027.db2.gz HQKLMCNYDYBGCZ-CQSZACIVSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573455866 945888270 /nfs/dbraw/zinc/88/82/70/945888270.db2.gz HQKLMCNYDYBGCZ-AWEZNQCLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573455866 945888280 /nfs/dbraw/zinc/88/82/80/945888280.db2.gz HQKLMCNYDYBGCZ-AWEZNQCLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573456394 945890829 /nfs/dbraw/zinc/89/08/29/945890829.db2.gz KEYZSEMISSYVKG-BTDLBPIBSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573456394 945890843 /nfs/dbraw/zinc/89/08/43/945890843.db2.gz KEYZSEMISSYVKG-BTDLBPIBSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573456731 945897111 /nfs/dbraw/zinc/89/71/11/945897111.db2.gz NVQTZVKNQWHNHN-KRWDZBQOSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573456731 945897121 /nfs/dbraw/zinc/89/71/21/945897121.db2.gz NVQTZVKNQWHNHN-KRWDZBQOSA-N -1 3 392.439 0.504 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573456843 945900013 /nfs/dbraw/zinc/90/00/13/945900013.db2.gz POVZDOUZFJQWMM-DEYYWGMASA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573456843 945900021 /nfs/dbraw/zinc/90/00/21/945900021.db2.gz POVZDOUZFJQWMM-DEYYWGMASA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573456847 945900767 /nfs/dbraw/zinc/90/07/67/945900767.db2.gz POVZDOUZFJQWMM-HBUWYVDXSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573456847 945900774 /nfs/dbraw/zinc/90/07/74/945900774.db2.gz POVZDOUZFJQWMM-HBUWYVDXSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573456921 945900993 /nfs/dbraw/zinc/90/09/93/945900993.db2.gz QEBLGTRTEVVTEI-UHFFFAOYSA-N -1 3 378.412 0.210 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573456921 945900998 /nfs/dbraw/zinc/90/09/98/945900998.db2.gz QEBLGTRTEVVTEI-UHFFFAOYSA-N -1 3 378.412 0.210 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573457035 945901928 /nfs/dbraw/zinc/90/19/28/945901928.db2.gz SOYDGAKCKMJABU-GFCCVEGCSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573457035 945901945 /nfs/dbraw/zinc/90/19/45/945901945.db2.gz SOYDGAKCKMJABU-GFCCVEGCSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573457283 945905444 /nfs/dbraw/zinc/90/54/44/945905444.db2.gz VFXMEZVPWPDIEM-RISCZKNCSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573457283 945905452 /nfs/dbraw/zinc/90/54/52/945905452.db2.gz VFXMEZVPWPDIEM-RISCZKNCSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573457287 945905620 /nfs/dbraw/zinc/90/56/20/945905620.db2.gz VFXMEZVPWPDIEM-SMDDNHRTSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573457287 945905627 /nfs/dbraw/zinc/90/56/27/945905627.db2.gz VFXMEZVPWPDIEM-SMDDNHRTSA-N -1 3 386.460 0.825 20 0 GCADHM CCN1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CC1=O ZINC001571285328 945913059 /nfs/dbraw/zinc/91/30/59/945913059.db2.gz BERONCAWPDYVJD-UTUOFQBUSA-N -1 3 388.407 0.328 20 0 GCADHM CCN1C[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CC1=O ZINC001571285328 945913063 /nfs/dbraw/zinc/91/30/63/945913063.db2.gz BERONCAWPDYVJD-UTUOFQBUSA-N -1 3 388.407 0.328 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573459600 945913595 /nfs/dbraw/zinc/91/35/95/945913595.db2.gz GYQALLKXPQQFNN-SNVBAGLBSA-N -1 3 377.424 0.861 20 0 GCADHM Cc1conc1C(=O)NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571285356 945913630 /nfs/dbraw/zinc/91/36/30/945913630.db2.gz BZQZDAIHLSQHOC-LLVKDONJSA-N -1 3 388.363 0.332 20 0 GCADHM Cc1conc1C(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571285356 945913639 /nfs/dbraw/zinc/91/36/39/945913639.db2.gz BZQZDAIHLSQHOC-LLVKDONJSA-N -1 3 388.363 0.332 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573459600 945913604 /nfs/dbraw/zinc/91/36/04/945913604.db2.gz GYQALLKXPQQFNN-SNVBAGLBSA-N -1 3 377.424 0.861 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573460184 945914320 /nfs/dbraw/zinc/91/43/20/945914320.db2.gz KDFSOOKPYJXCSU-UHFFFAOYSA-N -1 3 389.435 0.959 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573460184 945914328 /nfs/dbraw/zinc/91/43/28/945914328.db2.gz KDFSOOKPYJXCSU-UHFFFAOYSA-N -1 3 389.435 0.959 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001573460134 945915205 /nfs/dbraw/zinc/91/52/05/945915205.db2.gz JQQKRBZYEWTYIQ-AWEZNQCLSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001573460134 945915211 /nfs/dbraw/zinc/91/52/11/945915211.db2.gz JQQKRBZYEWTYIQ-AWEZNQCLSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573460141 945916048 /nfs/dbraw/zinc/91/60/48/945916048.db2.gz JVSIHZNALHXZNR-CYBMUJFWSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573460141 945916054 /nfs/dbraw/zinc/91/60/54/945916054.db2.gz JVSIHZNALHXZNR-CYBMUJFWSA-N -1 3 386.460 0.604 20 0 GCADHM O=C(NC[C@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)CCO1)c1cnon1 ZINC001571285382 945916288 /nfs/dbraw/zinc/91/62/88/945916288.db2.gz CJUIRAPYZJZJEU-LBPRGKRZSA-N -1 3 388.363 0.020 20 0 GCADHM O=C(NC[C@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1)c1cnon1 ZINC001571285382 945916294 /nfs/dbraw/zinc/91/62/94/945916294.db2.gz CJUIRAPYZJZJEU-LBPRGKRZSA-N -1 3 388.363 0.020 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573460663 945917034 /nfs/dbraw/zinc/91/70/34/945917034.db2.gz LNRVRNFDRQVXBX-ZDUSSCGKSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573460663 945917043 /nfs/dbraw/zinc/91/70/43/945917043.db2.gz LNRVRNFDRQVXBX-ZDUSSCGKSA-N -1 3 386.460 0.888 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCC(=O)NC1 ZINC001571285481 945918994 /nfs/dbraw/zinc/91/89/94/945918994.db2.gz FXSGBENSKHFNIR-APPDUMDISA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCC(=O)NC1 ZINC001571285481 945918999 /nfs/dbraw/zinc/91/89/99/945918999.db2.gz FXSGBENSKHFNIR-APPDUMDISA-N -1 3 388.407 0.012 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573460881 945919665 /nfs/dbraw/zinc/91/96/65/945919665.db2.gz MWFMXNFJPCNJQH-LBPRGKRZSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573460881 945919676 /nfs/dbraw/zinc/91/96/76/945919676.db2.gz MWFMXNFJPCNJQH-LBPRGKRZSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nnn[n-]2)cc1F ZINC001573461430 945919928 /nfs/dbraw/zinc/91/99/28/945919928.db2.gz NYBOWWUUWYIRJI-RYUDHWBXSA-N -1 3 388.407 0.105 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1F ZINC001573461430 945919939 /nfs/dbraw/zinc/91/99/39/945919939.db2.gz NYBOWWUUWYIRJI-RYUDHWBXSA-N -1 3 388.407 0.105 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001573461456 945920692 /nfs/dbraw/zinc/92/06/92/945920692.db2.gz OOTHRMLKSXQWOE-UHFFFAOYSA-N -1 3 388.432 0.318 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001573461456 945920700 /nfs/dbraw/zinc/92/07/00/945920700.db2.gz OOTHRMLKSXQWOE-UHFFFAOYSA-N -1 3 388.432 0.318 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573461852 945924562 /nfs/dbraw/zinc/92/45/62/945924562.db2.gz RVUIHMURPLDHPF-CYBMUJFWSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573461852 945924569 /nfs/dbraw/zinc/92/45/69/945924569.db2.gz RVUIHMURPLDHPF-CYBMUJFWSA-N -1 3 386.460 0.969 20 0 GCADHM COc1cc(C(=O)N(C)[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)on1 ZINC001571285761 945928265 /nfs/dbraw/zinc/92/82/65/945928265.db2.gz NCTVWEQKXCKBCJ-SNVBAGLBSA-N -1 3 388.363 0.748 20 0 GCADHM COc1cc(C(=O)N(C)[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)on1 ZINC001571285761 945928277 /nfs/dbraw/zinc/92/82/77/945928277.db2.gz NCTVWEQKXCKBCJ-SNVBAGLBSA-N -1 3 388.363 0.748 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571285823 945928534 /nfs/dbraw/zinc/92/85/34/945928534.db2.gz OYYWUFLJGDXIEJ-AAEUAGOBSA-N -1 3 388.407 0.425 20 0 GCADHM CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571285823 945928545 /nfs/dbraw/zinc/92/85/45/945928545.db2.gz OYYWUFLJGDXIEJ-AAEUAGOBSA-N -1 3 388.407 0.425 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573462070 945930274 /nfs/dbraw/zinc/93/02/74/945930274.db2.gz YDBAGRWZOVXNLD-SFYZADRCSA-N -1 3 380.478 0.851 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573462072 945930297 /nfs/dbraw/zinc/93/02/97/945930297.db2.gz YHDAMADLZJHWOW-MRVPVSSYSA-N -1 3 380.478 0.853 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573462102 945930392 /nfs/dbraw/zinc/93/03/92/945930392.db2.gz ZRSDAUHVNDFRPK-LLVKDONJSA-N -1 3 392.489 0.583 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285943 945932684 /nfs/dbraw/zinc/93/26/84/945932684.db2.gz RXPCBVMWYOQCGS-KBPBESRZSA-N -1 3 388.403 0.363 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571285943 945932692 /nfs/dbraw/zinc/93/26/92/945932692.db2.gz RXPCBVMWYOQCGS-KBPBESRZSA-N -1 3 388.403 0.363 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CC(CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573462183 945932841 /nfs/dbraw/zinc/93/28/41/945932841.db2.gz BWBLHQCPEMHXRU-UHFFFAOYSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CC(CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573462183 945932845 /nfs/dbraw/zinc/93/28/45/945932845.db2.gz BWBLHQCPEMHXRU-UHFFFAOYSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1 ZINC001573462402 945939791 /nfs/dbraw/zinc/93/97/91/945939791.db2.gz IEUSWTNVFVHNNZ-YPMHNXCESA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1 ZINC001573462402 945939804 /nfs/dbraw/zinc/93/98/04/945939804.db2.gz IEUSWTNVFVHNNZ-YPMHNXCESA-N -1 3 386.460 0.650 20 0 GCADHM O=C([C@H]1CNC(=O)N1)N1CCC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571286236 945939731 /nfs/dbraw/zinc/93/97/31/945939731.db2.gz BSLRRKJYADAUJA-ZWNOBZJWSA-N -1 3 388.407 0.338 20 0 GCADHM O=C([C@H]1CNC(=O)N1)N1CCC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571286236 945939743 /nfs/dbraw/zinc/93/97/43/945939743.db2.gz BSLRRKJYADAUJA-ZWNOBZJWSA-N -1 3 388.407 0.338 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573462542 945941388 /nfs/dbraw/zinc/94/13/88/945941388.db2.gz KYWRRPYMOWODSA-CYBMUJFWSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573462542 945941393 /nfs/dbraw/zinc/94/13/93/945941393.db2.gz KYWRRPYMOWODSA-CYBMUJFWSA-N -1 3 386.460 0.507 20 0 GCADHM O=C(NC[C@@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCC(=O)N1 ZINC001571286255 945941994 /nfs/dbraw/zinc/94/19/94/945941994.db2.gz CFGCUMBTKLLNNC-AAEUAGOBSA-N -1 3 388.407 0.155 20 0 GCADHM O=C(NC[C@@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCC(=O)N1 ZINC001571286255 945942003 /nfs/dbraw/zinc/94/20/03/945942003.db2.gz CFGCUMBTKLLNNC-AAEUAGOBSA-N -1 3 388.407 0.155 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573462737 945944546 /nfs/dbraw/zinc/94/45/46/945944546.db2.gz MQTWCDYXTUFGHN-SECBINFHSA-N -1 3 378.412 0.256 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573462737 945944556 /nfs/dbraw/zinc/94/45/56/945944556.db2.gz MQTWCDYXTUFGHN-SECBINFHSA-N -1 3 378.412 0.256 20 0 GCADHM COc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)sn1 ZINC001571286355 945945918 /nfs/dbraw/zinc/94/59/18/945945918.db2.gz FMIMBKZLLRFCTE-SECBINFHSA-N -1 3 388.413 0.304 20 0 GCADHM COc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)sn1 ZINC001571286355 945945925 /nfs/dbraw/zinc/94/59/25/945945925.db2.gz FMIMBKZLLRFCTE-SECBINFHSA-N -1 3 388.413 0.304 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573462943 945946063 /nfs/dbraw/zinc/94/60/63/945946063.db2.gz PGRWWLAVQHTDRA-UHFFFAOYSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573462943 945946071 /nfs/dbraw/zinc/94/60/71/945946071.db2.gz PGRWWLAVQHTDRA-UHFFFAOYSA-N -1 3 390.423 0.622 20 0 GCADHM C[C@H]1C[C@@H](NCc2ncnn2CCF)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571286413 945948292 /nfs/dbraw/zinc/94/82/92/945948292.db2.gz HBJUGKRPCPRRCT-WDEREUQCSA-N -1 3 388.411 0.149 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573463118 945949070 /nfs/dbraw/zinc/94/90/70/945949070.db2.gz QVRAGXMTHBYYKJ-CYBMUJFWSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573463118 945949081 /nfs/dbraw/zinc/94/90/81/945949081.db2.gz QVRAGXMTHBYYKJ-CYBMUJFWSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573463119 945949800 /nfs/dbraw/zinc/94/98/00/945949800.db2.gz QVRAGXMTHBYYKJ-ZDUSSCGKSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573463119 945949810 /nfs/dbraw/zinc/94/98/10/945949810.db2.gz QVRAGXMTHBYYKJ-ZDUSSCGKSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573463297 945955008 /nfs/dbraw/zinc/95/50/08/945955008.db2.gz UKIODFVWEQMNKR-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573463297 945955013 /nfs/dbraw/zinc/95/50/13/945955013.db2.gz UKIODFVWEQMNKR-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573463516 945956494 /nfs/dbraw/zinc/95/64/94/945956494.db2.gz XZZAAJYLNPXGSV-LLVKDONJSA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573463510 945956860 /nfs/dbraw/zinc/95/68/60/945956860.db2.gz XWTFZJUHTPTSJT-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573463510 945956873 /nfs/dbraw/zinc/95/68/73/945956873.db2.gz XWTFZJUHTPTSJT-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573463561 945958976 /nfs/dbraw/zinc/95/89/76/945958976.db2.gz YOWPWMCCOYPPIV-CYBMUJFWSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573463561 945958983 /nfs/dbraw/zinc/95/89/83/945958983.db2.gz YOWPWMCCOYPPIV-CYBMUJFWSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573463554 945959162 /nfs/dbraw/zinc/95/91/62/945959162.db2.gz YLWZTXNUIIJFKS-ZDUSSCGKSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573463554 945959164 /nfs/dbraw/zinc/95/91/64/945959164.db2.gz YLWZTXNUIIJFKS-ZDUSSCGKSA-N -1 3 386.460 0.570 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571286809 945961195 /nfs/dbraw/zinc/96/11/95/945961195.db2.gz SBZZTADXLGZJLN-NEPJUHHUSA-N -1 3 388.407 0.315 20 0 GCADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571286809 945961204 /nfs/dbraw/zinc/96/12/04/945961204.db2.gz SBZZTADXLGZJLN-NEPJUHHUSA-N -1 3 388.407 0.315 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)[C@@H]1C ZINC001573464183 945964144 /nfs/dbraw/zinc/96/41/44/945964144.db2.gz HFJSATRLOJCSPP-RISCZKNCSA-N -1 3 386.460 0.568 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)[C@@H]1C ZINC001573464183 945964155 /nfs/dbraw/zinc/96/41/55/945964155.db2.gz HFJSATRLOJCSPP-RISCZKNCSA-N -1 3 386.460 0.568 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573464544 945966759 /nfs/dbraw/zinc/96/67/59/945966759.db2.gz LYFCOBCVSWNXRY-QMMMGPOBSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573464544 945966774 /nfs/dbraw/zinc/96/67/74/945966774.db2.gz LYFCOBCVSWNXRY-QMMMGPOBSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCN(c1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573464589 945968395 /nfs/dbraw/zinc/96/83/95/945968395.db2.gz OGWJRLDVOBAMOG-UHFFFAOYSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCN(c1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573464589 945968403 /nfs/dbraw/zinc/96/84/03/945968403.db2.gz OGWJRLDVOBAMOG-UHFFFAOYSA-N -1 3 390.423 0.401 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571287056 945969008 /nfs/dbraw/zinc/96/90/08/945969008.db2.gz ZLWYORSMPLOGDU-VXGBXAGGSA-N -1 3 388.407 0.472 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571287056 945969015 /nfs/dbraw/zinc/96/90/15/945969015.db2.gz ZLWYORSMPLOGDU-VXGBXAGGSA-N -1 3 388.407 0.472 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573464948 945971068 /nfs/dbraw/zinc/97/10/68/945971068.db2.gz SCPDKOYDXGKDDE-UHFFFAOYSA-N -1 3 377.474 0.391 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573464979 945971388 /nfs/dbraw/zinc/97/13/88/945971388.db2.gz TTWPQWYYVVBGEE-UHFFFAOYSA-N -1 3 377.424 0.863 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573464979 945971394 /nfs/dbraw/zinc/97/13/94/945971394.db2.gz TTWPQWYYVVBGEE-UHFFFAOYSA-N -1 3 377.424 0.863 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573467945 945989042 /nfs/dbraw/zinc/98/90/42/945989042.db2.gz JMPVCRGRTLCOKI-GFCCVEGCSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573467945 945989052 /nfs/dbraw/zinc/98/90/52/945989052.db2.gz JMPVCRGRTLCOKI-GFCCVEGCSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573468338 945992519 /nfs/dbraw/zinc/99/25/19/945992519.db2.gz MMKCAFQBZZUZCF-JTQLQIEISA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573468338 945992528 /nfs/dbraw/zinc/99/25/28/945992528.db2.gz MMKCAFQBZZUZCF-JTQLQIEISA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573468370 945993466 /nfs/dbraw/zinc/99/34/66/945993466.db2.gz NGPLIEQJXUZWHZ-SMDDNHRTSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573468368 945993718 /nfs/dbraw/zinc/99/37/18/945993718.db2.gz NGPLIEQJXUZWHZ-FZMZJTMJSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573468360 945994104 /nfs/dbraw/zinc/99/41/04/945994104.db2.gz NDAXZZDDUMRWBK-RKDXNWHRSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573468360 945994109 /nfs/dbraw/zinc/99/41/09/945994109.db2.gz NDAXZZDDUMRWBK-RKDXNWHRSA-N -1 3 380.840 0.699 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573468567 945997942 /nfs/dbraw/zinc/99/79/42/945997942.db2.gz PIQPMKLMALGYEK-VIFPVBQESA-N -1 3 380.840 0.334 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573468567 945997949 /nfs/dbraw/zinc/99/79/49/945997949.db2.gz PIQPMKLMALGYEK-VIFPVBQESA-N -1 3 380.840 0.334 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CC(Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573468928 945999411 /nfs/dbraw/zinc/99/94/11/945999411.db2.gz RRIDGOOTPNUOKF-RKWZHAFESA-N -1 3 392.851 0.841 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CC(Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573468928 945999416 /nfs/dbraw/zinc/99/94/16/945999416.db2.gz RRIDGOOTPNUOKF-RKWZHAFESA-N -1 3 392.851 0.841 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573469263 946004613 /nfs/dbraw/zinc/00/46/13/946004613.db2.gz UOBQGEMRHAQMDU-VCANKDNSSA-N -1 3 386.460 0.968 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573469263 946004628 /nfs/dbraw/zinc/00/46/28/946004628.db2.gz UOBQGEMRHAQMDU-VCANKDNSSA-N -1 3 386.460 0.968 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573469414 946005938 /nfs/dbraw/zinc/00/59/38/946005938.db2.gz VSICEOGNRQFLSN-BXUZGUMPSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573469414 946005951 /nfs/dbraw/zinc/00/59/51/946005951.db2.gz VSICEOGNRQFLSN-BXUZGUMPSA-N -1 3 389.435 0.563 20 0 GCADHM CCn1nncc1C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571289644 946011601 /nfs/dbraw/zinc/01/16/01/946011601.db2.gz JGEONLNRDUGKQG-SNVBAGLBSA-N -1 3 388.461 0.960 20 0 GCADHM COc1nscc1CN1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571289656 946014112 /nfs/dbraw/zinc/01/41/12/946014112.db2.gz JMAASXIAOAZZLN-SNVBAGLBSA-N -1 3 388.457 0.912 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573470006 946014619 /nfs/dbraw/zinc/01/46/19/946014619.db2.gz ZGWYURJZBYJDLU-NHYWBVRUSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573470006 946014632 /nfs/dbraw/zinc/01/46/32/946014632.db2.gz ZGWYURJZBYJDLU-NHYWBVRUSA-N -1 3 389.435 0.563 20 0 GCADHM CCn1cccc1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1O ZINC001571289886 946020269 /nfs/dbraw/zinc/02/02/69/946020269.db2.gz OXZWXEBMFMREQF-ZYHUDNBSSA-N -1 3 388.457 0.433 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573470367 946021357 /nfs/dbraw/zinc/02/13/57/946021357.db2.gz DFICPLAASSAZKC-CMPLNLGQSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573470480 946027686 /nfs/dbraw/zinc/02/76/86/946027686.db2.gz FQDNRMNWYYQXBN-ZWNOBZJWSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573470480 946027696 /nfs/dbraw/zinc/02/76/96/946027696.db2.gz FQDNRMNWYYQXBN-ZWNOBZJWSA-N -1 3 390.423 0.718 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2cncs2)CCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571290055 946028434 /nfs/dbraw/zinc/02/84/34/946028434.db2.gz UDVSGOYXQVFXEM-LLVKDONJSA-N -1 3 388.457 0.672 20 0 GCADHM CCN(C(=O)c1cn(C)nn1)[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001571290125 946029016 /nfs/dbraw/zinc/02/90/16/946029016.db2.gz VSGUIHXIEKGELX-JTQLQIEISA-N -1 3 388.461 0.501 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573470659 946032693 /nfs/dbraw/zinc/03/26/93/946032693.db2.gz IJUVFFWJCLGVQZ-NSHDSACASA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573470659 946032705 /nfs/dbraw/zinc/03/27/05/946032705.db2.gz IJUVFFWJCLGVQZ-NSHDSACASA-N -1 3 389.435 0.958 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)[nH]n1 ZINC001571290287 946034010 /nfs/dbraw/zinc/03/40/10/946034010.db2.gz ZRYMILTYYBCGEG-NSHDSACASA-N -1 3 388.457 0.591 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470781 946036830 /nfs/dbraw/zinc/03/68/30/946036830.db2.gz JORSGCHDOYCYQA-GXFFZTMASA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470781 946036849 /nfs/dbraw/zinc/03/68/49/946036849.db2.gz JORSGCHDOYCYQA-GXFFZTMASA-N -1 3 390.423 0.353 20 0 GCADHM CCn1ncc(C(=O)NC[C@@H]2CCCN2c2snc(C)c2-c2nnn[n-]2)n1 ZINC001571290298 946038379 /nfs/dbraw/zinc/03/83/79/946038379.db2.gz ZVXKRBVNANPKGJ-JTQLQIEISA-N -1 3 388.461 0.642 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CNc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573470904 946038693 /nfs/dbraw/zinc/03/86/93/946038693.db2.gz KSZDFPDYCGGMLT-GFCCVEGCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CNc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573470904 946038700 /nfs/dbraw/zinc/03/87/00/946038700.db2.gz KSZDFPDYCGGMLT-GFCCVEGCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573470930 946038857 /nfs/dbraw/zinc/03/88/57/946038857.db2.gz LDPMGRIKWXAVER-NEPJUHHUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573470930 946038868 /nfs/dbraw/zinc/03/88/68/946038868.db2.gz LDPMGRIKWXAVER-NEPJUHHUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573470945 946040414 /nfs/dbraw/zinc/04/04/14/946040414.db2.gz LDPMGRIKWXAVER-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC([C@@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573470945 946040425 /nfs/dbraw/zinc/04/04/25/946040425.db2.gz LDPMGRIKWXAVER-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CNc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573470905 946041543 /nfs/dbraw/zinc/04/15/43/946041543.db2.gz KSZDFPDYCGGMLT-LBPRGKRZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CNc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573470905 946041555 /nfs/dbraw/zinc/04/15/55/946041555.db2.gz KSZDFPDYCGGMLT-LBPRGKRZSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571290640 946051018 /nfs/dbraw/zinc/05/10/18/946051018.db2.gz KQXNPQRBROGWBK-KCJUWKMLSA-N -1 3 388.823 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571290640 946051031 /nfs/dbraw/zinc/05/10/31/946051031.db2.gz KQXNPQRBROGWBK-KCJUWKMLSA-N -1 3 388.823 0.616 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CN(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573471822 946054244 /nfs/dbraw/zinc/05/42/44/946054244.db2.gz ROEGHOKSUCOTGB-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CN(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573471822 946054257 /nfs/dbraw/zinc/05/42/57/946054257.db2.gz ROEGHOKSUCOTGB-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573471926 946056995 /nfs/dbraw/zinc/05/69/95/946056995.db2.gz SEKLKCLPKWLAKF-GXTWGEPZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573471926 946057010 /nfs/dbraw/zinc/05/70/10/946057010.db2.gz SEKLKCLPKWLAKF-GXTWGEPZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573471931 946057267 /nfs/dbraw/zinc/05/72/67/946057267.db2.gz SIWRJSHREAEINC-JSGCOSHPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573471931 946057279 /nfs/dbraw/zinc/05/72/79/946057279.db2.gz SIWRJSHREAEINC-JSGCOSHPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573472110 946058418 /nfs/dbraw/zinc/05/84/18/946058418.db2.gz SLYWJXWPNIPRNB-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(CCNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573472110 946058431 /nfs/dbraw/zinc/05/84/31/946058431.db2.gz SLYWJXWPNIPRNB-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001573472339 946063486 /nfs/dbraw/zinc/06/34/86/946063486.db2.gz VOCKRBUNLWIIBW-JSGCOSHPSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001573472339 946063497 /nfs/dbraw/zinc/06/34/97/946063497.db2.gz VOCKRBUNLWIIBW-JSGCOSHPSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571290952 946064117 /nfs/dbraw/zinc/06/41/17/946064117.db2.gz VMATYEHFVUATEE-PSASIEDQSA-N -1 3 388.823 0.853 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571291161 946067671 /nfs/dbraw/zinc/06/76/71/946067671.db2.gz FDHBMSIIYOARFC-JTQLQIEISA-N -1 3 389.370 0.591 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571291161 946067682 /nfs/dbraw/zinc/06/76/82/946067682.db2.gz FDHBMSIIYOARFC-JTQLQIEISA-N -1 3 389.370 0.591 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)C2(c3cc(F)cc(-c4nnn[n-]4)c3)CC2)C[C@@H](C)O1 ZINC001571291103 946067894 /nfs/dbraw/zinc/06/78/94/946067894.db2.gz BDKJAZANWCZPLI-YGRLFVJLSA-N -1 3 389.387 0.826 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)C2(c3cc(F)cc(-c4nn[n-]n4)c3)CC2)C[C@@H](C)O1 ZINC001571291103 946067904 /nfs/dbraw/zinc/06/79/04/946067904.db2.gz BDKJAZANWCZPLI-YGRLFVJLSA-N -1 3 389.387 0.826 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573472399 946067939 /nfs/dbraw/zinc/06/79/39/946067939.db2.gz WFQVQHMFFICYHR-WFASDCNBSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573472399 946067949 /nfs/dbraw/zinc/06/79/49/946067949.db2.gz WFQVQHMFFICYHR-WFASDCNBSA-N -1 3 386.460 0.969 20 0 GCADHM CC1(C)CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1NC(=O)c1cnns1 ZINC001571291127 946069772 /nfs/dbraw/zinc/06/97/72/946069772.db2.gz CGPYGIIEIVRYTI-NSHDSACASA-N -1 3 389.420 0.897 20 0 GCADHM CC1(C)CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1NC(=O)c1cnns1 ZINC001571291127 946069787 /nfs/dbraw/zinc/06/97/87/946069787.db2.gz CGPYGIIEIVRYTI-NSHDSACASA-N -1 3 389.420 0.897 20 0 GCADHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001571291247 946072097 /nfs/dbraw/zinc/07/20/97/946072097.db2.gz HDUHLLHARYINQU-CYBMUJFWSA-N -1 3 389.391 0.731 20 0 GCADHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1C(=O)NCC12CCOCC2 ZINC001571291247 946072109 /nfs/dbraw/zinc/07/21/09/946072109.db2.gz HDUHLLHARYINQU-CYBMUJFWSA-N -1 3 389.391 0.731 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573472965 946073358 /nfs/dbraw/zinc/07/33/58/946073358.db2.gz YKYPLCMZWTUWJY-XIKOKIGWSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573472965 946073367 /nfs/dbraw/zinc/07/33/67/946073367.db2.gz YKYPLCMZWTUWJY-XIKOKIGWSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573473002 946074049 /nfs/dbraw/zinc/07/40/49/946074049.db2.gz ZAGYJIGAHJBTAR-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573473002 946074059 /nfs/dbraw/zinc/07/40/59/946074059.db2.gz ZAGYJIGAHJBTAR-JOYOIKCWSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573473231 946075415 /nfs/dbraw/zinc/07/54/15/946075415.db2.gz AXLHITKVRMVDLB-BCMRRPTOSA-N -1 3 378.462 0.415 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573473394 946079149 /nfs/dbraw/zinc/07/91/49/946079149.db2.gz CFEAEDCQCMUSEO-BYCMXARLSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001573473394 946079159 /nfs/dbraw/zinc/07/91/59/946079159.db2.gz CFEAEDCQCMUSEO-BYCMXARLSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573473493 946079617 /nfs/dbraw/zinc/07/96/17/946079617.db2.gz DSVSKGHPUSSHKB-LKTVYLICSA-N -1 3 387.419 0.316 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573473493 946079629 /nfs/dbraw/zinc/07/96/29/946079629.db2.gz DSVSKGHPUSSHKB-LKTVYLICSA-N -1 3 387.419 0.316 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573473460 946079732 /nfs/dbraw/zinc/07/97/32/946079732.db2.gz CKJDNBTXFGLNIM-WFASDCNBSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573473460 946079745 /nfs/dbraw/zinc/07/97/45/946079745.db2.gz CKJDNBTXFGLNIM-WFASDCNBSA-N -1 3 386.460 0.604 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571291651 946080173 /nfs/dbraw/zinc/08/01/73/946080173.db2.gz NYAANCHFVFYDOO-WCQYABFASA-N -1 3 389.416 0.219 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571291651 946080186 /nfs/dbraw/zinc/08/01/86/946080186.db2.gz NYAANCHFVFYDOO-WCQYABFASA-N -1 3 389.416 0.219 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573473484 946080936 /nfs/dbraw/zinc/08/09/36/946080936.db2.gz DINFUXBGYUGVOD-YUTCNCBUSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573473484 946080948 /nfs/dbraw/zinc/08/09/48/946080948.db2.gz DINFUXBGYUGVOD-YUTCNCBUSA-N -1 3 384.444 0.071 20 0 GCADHM Cc1cnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822395200 946081135 /nfs/dbraw/zinc/08/11/35/946081135.db2.gz VZBHCERHGVDKSE-VIFPVBQESA-N -1 3 393.454 0.937 20 0 GCADHM Cc1cnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822395200 946081147 /nfs/dbraw/zinc/08/11/47/946081147.db2.gz VZBHCERHGVDKSE-VIFPVBQESA-N -1 3 393.454 0.937 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573474071 946087321 /nfs/dbraw/zinc/08/73/21/946087321.db2.gz IEHXMFACYJHNGI-JOYOIKCWSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573474071 946087331 /nfs/dbraw/zinc/08/73/31/946087331.db2.gz IEHXMFACYJHNGI-JOYOIKCWSA-N -1 3 392.851 0.843 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573474171 946089070 /nfs/dbraw/zinc/08/90/70/946089070.db2.gz ITUBEPJBTFVGHM-LBPRGKRZSA-N -1 3 389.435 0.565 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)[C@@H]1COC(=O)N1 ZINC001571292130 946089415 /nfs/dbraw/zinc/08/94/15/946089415.db2.gz UFMYLXVZMPQNDJ-CWSCBRNRSA-N -1 3 389.391 0.811 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[C@@H]1COC(=O)N1 ZINC001571292130 946089426 /nfs/dbraw/zinc/08/94/26/946089426.db2.gz UFMYLXVZMPQNDJ-CWSCBRNRSA-N -1 3 389.391 0.811 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)C1CCN(C(=O)c2csnn2)CC1 ZINC001571292206 946090017 /nfs/dbraw/zinc/09/00/17/946090017.db2.gz VLAAIYDXKKQQQY-UHFFFAOYSA-N -1 3 389.420 0.993 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)C1CCN(C(=O)c2csnn2)CC1 ZINC001571292206 946090029 /nfs/dbraw/zinc/09/00/29/946090029.db2.gz VLAAIYDXKKQQQY-UHFFFAOYSA-N -1 3 389.420 0.993 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3Cc4ccccc43)C[C@H]21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571292136 946090057 /nfs/dbraw/zinc/09/00/57/946090057.db2.gz UGKIOJGVKTYDLL-AIANPOQGSA-N -1 3 389.419 0.721 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3Cc4ccccc43)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571292136 946090071 /nfs/dbraw/zinc/09/00/71/946090071.db2.gz UGKIOJGVKTYDLL-AIANPOQGSA-N -1 3 389.419 0.721 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573474627 946090804 /nfs/dbraw/zinc/09/08/04/946090804.db2.gz LYJAIRJQOPHQFA-LLVKDONJSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573474627 946090813 /nfs/dbraw/zinc/09/08/13/946090813.db2.gz LYJAIRJQOPHQFA-LLVKDONJSA-N -1 3 375.408 0.175 20 0 GCADHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001571292425 946094807 /nfs/dbraw/zinc/09/48/07/946094807.db2.gz ZLDQYTTXSOIPFT-QWRGUYRKSA-N -1 3 389.391 0.938 20 0 GCADHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001571292425 946094817 /nfs/dbraw/zinc/09/48/17/946094817.db2.gz ZLDQYTTXSOIPFT-QWRGUYRKSA-N -1 3 389.391 0.938 20 0 GCADHM Cc1cc(NC(=O)NCC2(O)CCC3(CC2)OCCO3)ncc1-c1nnn[n-]1 ZINC001571292459 946095639 /nfs/dbraw/zinc/09/56/39/946095639.db2.gz ZTHPPIHVLWWHGZ-UHFFFAOYSA-N -1 3 389.416 0.740 20 0 GCADHM Cc1cc(NC(=O)NCC2(O)CCC3(CC2)OCCO3)ncc1-c1nn[n-]n1 ZINC001571292459 946095653 /nfs/dbraw/zinc/09/56/53/946095653.db2.gz ZTHPPIHVLWWHGZ-UHFFFAOYSA-N -1 3 389.416 0.740 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573474920 946097598 /nfs/dbraw/zinc/09/75/98/946097598.db2.gz ORUKZXODFOTABJ-MNOVXSKESA-N -1 3 389.435 0.467 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001571293314 946100793 /nfs/dbraw/zinc/10/07/93/946100793.db2.gz FERGDYCRFSVIGT-JTQLQIEISA-N -1 3 389.441 0.631 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573475402 946100892 /nfs/dbraw/zinc/10/08/92/946100892.db2.gz SYPDZDGJRKLRNJ-YRGRVCCFSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573475402 946100897 /nfs/dbraw/zinc/10/08/97/946100897.db2.gz SYPDZDGJRKLRNJ-YRGRVCCFSA-N -1 3 386.460 0.683 20 0 GCADHM CC1(C)CO[C@H](CN2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571293295 946101358 /nfs/dbraw/zinc/10/13/58/946101358.db2.gz DNTJOQPGLWJZBD-KBPBESRZSA-N -1 3 389.460 0.441 20 0 GCADHM CC1(C)CO[C@H](CN2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571293295 946101365 /nfs/dbraw/zinc/10/13/65/946101365.db2.gz DNTJOQPGLWJZBD-KBPBESRZSA-N -1 3 389.460 0.441 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573475639 946103221 /nfs/dbraw/zinc/10/32/21/946103221.db2.gz WMXFMZJTRCBHNR-VYUIOLGVSA-N -1 3 376.396 0.184 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573475639 946103227 /nfs/dbraw/zinc/10/32/27/946103227.db2.gz WMXFMZJTRCBHNR-VYUIOLGVSA-N -1 3 376.396 0.184 20 0 GCADHM Cc1c[nH]c(C(=O)NC[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)CCO2)n1 ZINC001571293357 946103199 /nfs/dbraw/zinc/10/31/99/946103199.db2.gz GFOGQJXTKMJTKZ-SNVBAGLBSA-N -1 3 389.445 0.298 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001573475756 946104156 /nfs/dbraw/zinc/10/41/56/946104156.db2.gz ALHZAPTUZJPACY-RISCZKNCSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001573475756 946104163 /nfs/dbraw/zinc/10/41/63/946104163.db2.gz ALHZAPTUZJPACY-RISCZKNCSA-N -1 3 386.460 0.507 20 0 GCADHM Cc1nsc(NC[C@@H]2CN(C(=O)c3cn[nH]c3)CCCO2)c1-c1nnn[n-]1 ZINC001571293534 946108224 /nfs/dbraw/zinc/10/82/24/946108224.db2.gz KNKRWTIUVISSNV-LLVKDONJSA-N -1 3 389.445 0.698 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573475979 946109567 /nfs/dbraw/zinc/10/95/67/946109567.db2.gz BTFNTVDSNHYAFQ-SNVBAGLBSA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573475979 946109575 /nfs/dbraw/zinc/10/95/75/946109575.db2.gz BTFNTVDSNHYAFQ-SNVBAGLBSA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@](C)(CNc1nc(C)ccc1-c1nnn[n-]1)C1CC1 ZINC001573476045 946112030 /nfs/dbraw/zinc/11/20/30/946112030.db2.gz YFIKVAIEVBAPBA-BBATYDOGSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@](C)(CNc1nc(C)ccc1-c1nn[n-]n1)C1CC1 ZINC001573476045 946112036 /nfs/dbraw/zinc/11/20/36/946112036.db2.gz YFIKVAIEVBAPBA-BBATYDOGSA-N -1 3 386.460 0.792 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571293686 946113079 /nfs/dbraw/zinc/11/30/79/946113079.db2.gz PHCSHGQNRAZOCK-DZGCQCFKSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571293686 946113089 /nfs/dbraw/zinc/11/30/89/946113089.db2.gz PHCSHGQNRAZOCK-DZGCQCFKSA-N -1 3 389.460 0.713 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)C1 ZINC001571293678 946114168 /nfs/dbraw/zinc/11/41/68/946114168.db2.gz OZMQTPVTPBUPHF-SNVBAGLBSA-N -1 3 389.441 0.489 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)C1 ZINC001571293678 946114175 /nfs/dbraw/zinc/11/41/75/946114175.db2.gz OZMQTPVTPBUPHF-SNVBAGLBSA-N -1 3 389.441 0.489 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)[C@H](O)C(C)C)CCCO2)ccc1-c1nnn[n-]1 ZINC001571293849 946117272 /nfs/dbraw/zinc/11/72/72/946117272.db2.gz UAIQJUVZXQTTQJ-CZUORRHYSA-N -1 3 389.460 0.616 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)[C@H](O)C(C)C)CCCO2)ccc1-c1nn[n-]n1 ZINC001571293849 946117281 /nfs/dbraw/zinc/11/72/81/946117281.db2.gz UAIQJUVZXQTTQJ-CZUORRHYSA-N -1 3 389.460 0.616 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573476427 946117472 /nfs/dbraw/zinc/11/74/72/946117472.db2.gz GSXCZBLPUDJZIR-QWRGUYRKSA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573476427 946117483 /nfs/dbraw/zinc/11/74/83/946117483.db2.gz GSXCZBLPUDJZIR-QWRGUYRKSA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573476466 946118545 /nfs/dbraw/zinc/11/85/45/946118545.db2.gz HDVPLGAMFIUPTR-GWCFXTLKSA-N -1 3 375.408 0.221 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571293916 946120418 /nfs/dbraw/zinc/12/04/18/946120418.db2.gz VWEUUJSFQUHKHG-HUBLWGQQSA-N -1 3 389.435 0.786 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571293916 946120427 /nfs/dbraw/zinc/12/04/27/946120427.db2.gz VWEUUJSFQUHKHG-HUBLWGQQSA-N -1 3 389.435 0.786 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573476683 946122827 /nfs/dbraw/zinc/12/28/27/946122827.db2.gz IVVSEFQEHLLHOU-ABKXIKBNSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573476683 946122832 /nfs/dbraw/zinc/12/28/32/946122832.db2.gz IVVSEFQEHLLHOU-ABKXIKBNSA-N -1 3 376.396 0.010 20 0 GCADHM O=C(NC[C@H]1COCCN1CC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571294038 946123242 /nfs/dbraw/zinc/12/32/42/946123242.db2.gz YTMXVRSFVWQDFM-KBPBESRZSA-N -1 3 389.460 0.585 20 0 GCADHM O=C(NC[C@H]1COCCN1CC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571294038 946123250 /nfs/dbraw/zinc/12/32/50/946123250.db2.gz YTMXVRSFVWQDFM-KBPBESRZSA-N -1 3 389.460 0.585 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573476674 946123521 /nfs/dbraw/zinc/12/35/21/946123521.db2.gz IOJNVHUQARGKSC-TZMCWYRMSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573476674 946123527 /nfs/dbraw/zinc/12/35/27/946123527.db2.gz IOJNVHUQARGKSC-TZMCWYRMSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573476719 946123668 /nfs/dbraw/zinc/12/36/68/946123668.db2.gz IXYYGBCEVFKCBI-XHDPSFHLSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573476719 946123674 /nfs/dbraw/zinc/12/36/74/946123674.db2.gz IXYYGBCEVFKCBI-XHDPSFHLSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573476883 946125730 /nfs/dbraw/zinc/12/57/30/946125730.db2.gz KOHGOYNVKXUMLM-LKFCYVNXSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573476883 946125740 /nfs/dbraw/zinc/12/57/40/946125740.db2.gz KOHGOYNVKXUMLM-LKFCYVNXSA-N -1 3 375.408 0.837 20 0 GCADHM Cc1nsc(N2CCO[C@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)C2)c1-c1nnn[n-]1 ZINC001571294080 946126370 /nfs/dbraw/zinc/12/63/70/946126370.db2.gz ABSBJLRSGWAPAI-FRRDWIJNSA-N -1 3 389.485 0.999 20 0 GCADHM Cc1sc(NC(=O)CN2CCN(C[C@@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000822558517 946126766 /nfs/dbraw/zinc/12/67/66/946126766.db2.gz PVUOTAZTESCEOQ-SNVBAGLBSA-N -1 3 379.490 0.482 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573477266 946131790 /nfs/dbraw/zinc/13/17/90/946131790.db2.gz NMSAXBAPUSEBNJ-PZDGAKPMSA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573477266 946131795 /nfs/dbraw/zinc/13/17/95/946131795.db2.gz NMSAXBAPUSEBNJ-PZDGAKPMSA-N -1 3 384.444 0.404 20 0 GCADHM Cn1c2nnc(COC(=O)c3cc(-c4nnn[n-]4)c[nH]3)n2c2ccccc2c1=O ZINC000822595688 946132864 /nfs/dbraw/zinc/13/28/64/946132864.db2.gz BLUQNJAOYPQBFT-UHFFFAOYSA-N -1 3 391.351 0.446 20 0 GCADHM Cn1c2nnc(COC(=O)c3cc(-c4nn[n-]n4)c[nH]3)n2c2ccccc2c1=O ZINC000822595688 946132876 /nfs/dbraw/zinc/13/28/76/946132876.db2.gz BLUQNJAOYPQBFT-UHFFFAOYSA-N -1 3 391.351 0.446 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)CC(C)C ZINC001573477299 946133044 /nfs/dbraw/zinc/13/30/44/946133044.db2.gz OCMDWYNKKXVWQY-MFKMUULPSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)CC(C)C ZINC001573477299 946133049 /nfs/dbraw/zinc/13/30/49/946133049.db2.gz OCMDWYNKKXVWQY-MFKMUULPSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573477408 946133880 /nfs/dbraw/zinc/13/38/80/946133880.db2.gz QAFDNHCAPMCVMB-DTWKUNHWSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573477408 946133887 /nfs/dbraw/zinc/13/38/87/946133887.db2.gz QAFDNHCAPMCVMB-DTWKUNHWSA-N -1 3 380.840 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573477391 946134533 /nfs/dbraw/zinc/13/45/33/946134533.db2.gz PRYSZQPKALWGOX-JTQLQIEISA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573477391 946134538 /nfs/dbraw/zinc/13/45/38/946134538.db2.gz PRYSZQPKALWGOX-JTQLQIEISA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CCC(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573477514 946139175 /nfs/dbraw/zinc/13/91/75/946139175.db2.gz RLCBICQCHVXZRY-OIKLOGQESA-N -1 3 392.489 0.996 20 0 GCADHM O=C(N[C@@H]1CCCN(CCn2cc(Cl)cn2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571294538 946139313 /nfs/dbraw/zinc/13/93/13/946139313.db2.gz ITQORQREBANDCN-GFCCVEGCSA-N -1 3 389.851 0.939 20 0 GCADHM Cn1ncc(Cl)c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571294549 946139332 /nfs/dbraw/zinc/13/93/32/946139332.db2.gz IZFZOAQNAIYJRS-QMMMGPOBSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1ncc(Cl)c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571294549 946139336 /nfs/dbraw/zinc/13/93/36/946139336.db2.gz IZFZOAQNAIYJRS-QMMMGPOBSA-N -1 3 389.807 0.226 20 0 GCADHM CS[C@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@]2(C)C1 ZINC001571294554 946139421 /nfs/dbraw/zinc/13/94/21/946139421.db2.gz ITLIHSJYAHWLAA-YOIRWDDOSA-N -1 3 389.485 0.867 20 0 GCADHM CS[C@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@]2(C)C1 ZINC001571294554 946139425 /nfs/dbraw/zinc/13/94/25/946139425.db2.gz ITLIHSJYAHWLAA-YOIRWDDOSA-N -1 3 389.485 0.867 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573477571 946139517 /nfs/dbraw/zinc/13/95/17/946139517.db2.gz RVWVGEIEBRTZQC-CMPLNLGQSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573477571 946139519 /nfs/dbraw/zinc/13/95/19/946139519.db2.gz RVWVGEIEBRTZQC-CMPLNLGQSA-N -1 3 375.408 0.615 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncncc2Cl)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571294648 946140190 /nfs/dbraw/zinc/14/01/90/946140190.db2.gz KQYNSKNUSZDQNH-PWSUYJOCSA-N -1 3 389.807 0.008 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncncc2Cl)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571294648 946140196 /nfs/dbraw/zinc/14/01/96/946140196.db2.gz KQYNSKNUSZDQNH-PWSUYJOCSA-N -1 3 389.807 0.008 20 0 GCADHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NCc1nn(C)cc1Cl ZINC001571294665 946140831 /nfs/dbraw/zinc/14/08/31/946140831.db2.gz LLDBZNYBEYMDSQ-LKFCYVNXSA-N -1 3 389.851 0.832 20 0 GCADHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NCc1nn(C)cc1Cl ZINC001571294665 946140838 /nfs/dbraw/zinc/14/08/38/946140838.db2.gz LLDBZNYBEYMDSQ-LKFCYVNXSA-N -1 3 389.851 0.832 20 0 GCADHM Cn1ncc(Cl)c1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571294652 946141414 /nfs/dbraw/zinc/14/14/14/946141414.db2.gz KTFVZAWUTOWAOX-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1ncc(Cl)c1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571294652 946141419 /nfs/dbraw/zinc/14/14/19/946141419.db2.gz KTFVZAWUTOWAOX-SECBINFHSA-N -1 3 389.807 0.226 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573477817 946142920 /nfs/dbraw/zinc/14/29/20/946142920.db2.gz UJVSUZXSTNFOHV-GXFFZTMASA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573477817 946142927 /nfs/dbraw/zinc/14/29/27/946142927.db2.gz UJVSUZXSTNFOHV-GXFFZTMASA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CCC(Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573477915 946143162 /nfs/dbraw/zinc/14/31/62/946143162.db2.gz VFFOBZUQKHOJOM-XGNXJENSSA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CCC(Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573477915 946143171 /nfs/dbraw/zinc/14/31/71/946143171.db2.gz VFFOBZUQKHOJOM-XGNXJENSSA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001573478579 946149757 /nfs/dbraw/zinc/14/97/57/946149757.db2.gz XIMXMCMZPIBPJA-FZMZJTMJSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001573478579 946149767 /nfs/dbraw/zinc/14/97/67/946149767.db2.gz XIMXMCMZPIBPJA-FZMZJTMJSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573478806 946151465 /nfs/dbraw/zinc/15/14/65/946151465.db2.gz YVMPHLYNTABTDP-GHMZBOCLSA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573478809 946152146 /nfs/dbraw/zinc/15/21/46/946152146.db2.gz YVMPHLYNTABTDP-QWRGUYRKSA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573478833 946152167 /nfs/dbraw/zinc/15/21/67/946152167.db2.gz YYIXQIWIRGHXTQ-FVMDXXJSSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573478833 946152174 /nfs/dbraw/zinc/15/21/74/946152174.db2.gz YYIXQIWIRGHXTQ-FVMDXXJSSA-N -1 3 392.851 0.525 20 0 GCADHM O=C(NC[C@@H]1CN(c2ncncc2Cl)CCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571295017 946152649 /nfs/dbraw/zinc/15/26/49/946152649.db2.gz RTOZKVZAKSFYSO-SECBINFHSA-N -1 3 389.807 0.273 20 0 GCADHM O=C(NC[C@@H]1CN(c2ncncc2Cl)CCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571295017 946152658 /nfs/dbraw/zinc/15/26/58/946152658.db2.gz RTOZKVZAKSFYSO-SECBINFHSA-N -1 3 389.807 0.273 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573478811 946152736 /nfs/dbraw/zinc/15/27/36/946152736.db2.gz YVMPHLYNTABTDP-WDEREUQCSA-N -1 3 377.424 0.467 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573479207 946153890 /nfs/dbraw/zinc/15/38/90/946153890.db2.gz AFZBWZVBNSPJNK-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573479207 946153896 /nfs/dbraw/zinc/15/38/96/946153896.db2.gz AFZBWZVBNSPJNK-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM Cn1cc(N2CCN(Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CC2)cn1 ZINC000822684790 946156050 /nfs/dbraw/zinc/15/60/50/946156050.db2.gz IQNZLEPKBQCFDF-UHFFFAOYSA-N -1 3 392.427 0.972 20 0 GCADHM Cn1cc(N2CCN(Cc3nnc(-c4cccc(-c5nn[n-]n5)c4)o3)CC2)cn1 ZINC000822684790 946156053 /nfs/dbraw/zinc/15/60/53/946156053.db2.gz IQNZLEPKBQCFDF-UHFFFAOYSA-N -1 3 392.427 0.972 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCC(=O)NC1 ZINC001571295251 946156302 /nfs/dbraw/zinc/15/63/02/946156302.db2.gz QZJRCYMARCDKHI-RYUDHWBXSA-N -1 3 389.485 0.535 20 0 GCADHM CCc1nnc([C@@H]2C[C@@H](O)CN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)[nH]1 ZINC001571295233 946157846 /nfs/dbraw/zinc/15/78/46/946157846.db2.gz QLPQTECEZMXHLT-SCZZXKLOSA-N -1 3 389.807 0.544 20 0 GCADHM C[C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571295314 946160069 /nfs/dbraw/zinc/16/00/69/946160069.db2.gz XRVPDOGNUOUHHQ-RDDDGLTNSA-N -1 3 390.358 0.890 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573479500 946160825 /nfs/dbraw/zinc/16/08/25/946160825.db2.gz DOLLPTQLFVHHBA-QMTHXVAHSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573479500 946160834 /nfs/dbraw/zinc/16/08/34/946160834.db2.gz DOLLPTQLFVHHBA-QMTHXVAHSA-N -1 3 375.408 0.221 20 0 GCADHM Cn1nc2c(cc1=O)CN(C(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822703755 946161846 /nfs/dbraw/zinc/16/18/46/946161846.db2.gz CCMVGAVXBQHNFG-UHFFFAOYSA-N -1 3 396.411 0.107 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573479811 946168080 /nfs/dbraw/zinc/16/80/80/946168080.db2.gz HRBMRRDZNKAHFL-IINYFYTJSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573479811 946168083 /nfs/dbraw/zinc/16/80/83/946168083.db2.gz HRBMRRDZNKAHFL-IINYFYTJSA-N -1 3 375.408 0.221 20 0 GCADHM Cc1[nH]nc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c1-c1nnn[n-]1 ZINC001571295703 946171296 /nfs/dbraw/zinc/17/12/96/946171296.db2.gz CQGUZFKWXZAEDF-UHFFFAOYSA-N -1 3 390.429 0.709 20 0 GCADHM O=C(CC1OCCCO1)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571295676 946172101 /nfs/dbraw/zinc/17/21/01/946172101.db2.gz BWGKSNUYWJCCNI-CQSZACIVSA-N -1 3 390.419 0.849 20 0 GCADHM NC(=O)C[C@@H](NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001571295770 946174473 /nfs/dbraw/zinc/17/44/73/946174473.db2.gz FPCCLWFJTMEQHZ-CQSZACIVSA-N -1 3 390.400 0.901 20 0 GCADHM NC(=O)C[C@@H](NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001571295770 946174480 /nfs/dbraw/zinc/17/44/80/946174480.db2.gz FPCCLWFJTMEQHZ-CQSZACIVSA-N -1 3 390.400 0.901 20 0 GCADHM O=C(C[C@H]1CCCOC1)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001571295887 946176076 /nfs/dbraw/zinc/17/60/76/946176076.db2.gz IODNYAQLVJLWQA-UXIGCNINSA-N -1 3 390.419 0.488 20 0 GCADHM O=C(C[C@H]1CCCOC1)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001571295887 946176080 /nfs/dbraw/zinc/17/60/80/946176080.db2.gz IODNYAQLVJLWQA-UXIGCNINSA-N 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CC(=O)N[C@@H](C)C(=O)NCC1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573481409 946181559 /nfs/dbraw/zinc/18/15/59/946181559.db2.gz PLUJIPIRJOAKKA-JTQLQIEISA-N -1 3 392.489 0.489 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2COCCN2c2snc(C)c2-c2nnn[n-]2)on1 ZINC001571296213 946186909 /nfs/dbraw/zinc/18/69/09/946186909.db2.gz QVGWWIHOMXXGJS-JTQLQIEISA-N -1 3 390.429 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573482413 946193498 /nfs/dbraw/zinc/19/34/98/946193498.db2.gz WHLWGCDXZZUBLK-OCCSQVGLSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573482413 946193508 /nfs/dbraw/zinc/19/35/08/946193508.db2.gz WHLWGCDXZZUBLK-OCCSQVGLSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573482593 946198279 /nfs/dbraw/zinc/19/82/79/946198279.db2.gz YKOJEMDKUWCLDJ-JQWIXIFHSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573482593 946198286 /nfs/dbraw/zinc/19/82/86/946198286.db2.gz YKOJEMDKUWCLDJ-JQWIXIFHSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CNc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001571297840 946199098 /nfs/dbraw/zinc/19/90/98/946199098.db2.gz BBKMDUNUKPETKS-NSHDSACASA-N -1 3 390.473 0.370 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3CCCC(=O)N3C)C2)c1-c1nnn[n-]1 ZINC001571297945 946201526 /nfs/dbraw/zinc/20/15/26/946201526.db2.gz FGCWYZYKTDBRBO-QWRGUYRKSA-N -1 3 390.473 0.337 20 0 GCADHM Cc1nsc(N[C@H]2CCN(C(=O)CN3CCCC3=O)[C@@H]2C)c1-c1nnn[n-]1 ZINC001571298110 946205833 /nfs/dbraw/zinc/20/58/33/946205833.db2.gz JTAWOEMJYBQLPW-MNOVXSKESA-N -1 3 390.473 0.655 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573483246 946207290 /nfs/dbraw/zinc/20/72/90/946207290.db2.gz CQLRYHSXBPUYGY-YUSALJHKSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573483246 946207301 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O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000822929446 946224185 /nfs/dbraw/zinc/22/41/85/946224185.db2.gz UNPGROKCQMHKRG-KJPDOMRESA-N -1 3 382.424 0.776 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571298933 946231852 /nfs/dbraw/zinc/23/18/52/946231852.db2.gz RWDHDHFCXKBECF-JQWIXIFHSA-N -1 3 390.473 0.162 20 0 GCADHM Cc1nsc(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)C(C)(C)C2)c1-c1nnn[n-]1 ZINC001571298926 946231903 /nfs/dbraw/zinc/23/19/03/946231903.db2.gz RTINOVWZDKABSL-VHSXEESVSA-N -1 3 390.473 0.241 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCN(c1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573485748 946232055 /nfs/dbraw/zinc/23/20/55/946232055.db2.gz YATXGKJSDNARLH-SECBINFHSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCN(c1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573485748 946232065 /nfs/dbraw/zinc/23/20/65/946232065.db2.gz YATXGKJSDNARLH-SECBINFHSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1C ZINC001573486384 946241240 /nfs/dbraw/zinc/24/12/40/946241240.db2.gz FAWSXXOTXGIZFI-UVWXRNBGSA-N -1 3 389.435 0.609 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573486567 946242129 /nfs/dbraw/zinc/24/21/29/946242129.db2.gz HDDWKFBLHMAWKG-OASPWFOLSA-N -1 3 390.423 0.765 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573486567 946242141 /nfs/dbraw/zinc/24/21/41/946242141.db2.gz HDDWKFBLHMAWKG-OASPWFOLSA-N -1 3 390.423 0.765 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573486621 946244641 /nfs/dbraw/zinc/24/46/41/946244641.db2.gz HTAULHUAEIJRQK-MRVWCRGKSA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573486621 946244650 /nfs/dbraw/zinc/24/46/50/946244650.db2.gz HTAULHUAEIJRQK-MRVWCRGKSA-N -1 3 386.460 0.934 20 0 GCADHM Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)C2)c1-c1nnn[n-]1 ZINC001571299294 946244901 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MXHNQASIGDFDFM-JQWIXIFHSA-N -1 3 390.835 0.279 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1C ZINC001573487292 946249160 /nfs/dbraw/zinc/24/91/60/946249160.db2.gz LYYKCRTWVVTINN-RWEMILLDSA-N -1 3 392.851 0.523 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H]1C ZINC001573487292 946249166 /nfs/dbraw/zinc/24/91/66/946249166.db2.gz LYYKCRTWVVTINN-RWEMILLDSA-N -1 3 392.851 0.523 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001573487302 946249809 /nfs/dbraw/zinc/24/98/09/946249809.db2.gz MGSMWTPLSHVZKM-UVWXRNBGSA-N -1 3 389.435 0.609 20 0 GCADHM Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571299445 946252118 /nfs/dbraw/zinc/25/21/18/946252118.db2.gz WIPXOJXRIUJBBD-QWRGUYRKSA-N -1 3 390.473 0.561 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ncccc1-c1nnn[n-]1)C2 ZINC001573487421 946252304 /nfs/dbraw/zinc/25/23/04/946252304.db2.gz NVQLGNCXCFNHSW-YNKQFZHNSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1CN(c1ncccc1-c1nn[n-]n1)C2 ZINC001573487421 946252315 /nfs/dbraw/zinc/25/23/15/946252315.db2.gz NVQLGNCXCFNHSW-YNKQFZHNSA-N -1 3 384.444 0.261 20 0 GCADHM Cc1nsc(N[C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2C)c1-c1nnn[n-]1 ZINC001571299666 946258847 /nfs/dbraw/zinc/25/88/47/946258847.db2.gz YVUYWUJQJYGSKU-MWLCHTKSSA-N -1 3 390.473 0.513 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573487881 946261037 /nfs/dbraw/zinc/26/10/37/946261037.db2.gz VFFOBZUQKHOJOM-UBHSHLNASA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573487881 946261048 /nfs/dbraw/zinc/26/10/48/946261048.db2.gz VFFOBZUQKHOJOM-UBHSHLNASA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001573488022 946261888 /nfs/dbraw/zinc/26/18/88/946261888.db2.gz WRLSUZZZZHNMHL-BREBYQMCSA-N -1 3 375.408 0.614 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001573488022 946261898 /nfs/dbraw/zinc/26/18/98/946261898.db2.gz WRLSUZZZZHNMHL-BREBYQMCSA-N -1 3 375.408 0.614 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573488043 946263492 /nfs/dbraw/zinc/26/34/92/946263492.db2.gz XABDIXOAURUOPQ-LSJOCFKGSA-N -1 3 378.462 0.463 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573488517 946267003 /nfs/dbraw/zinc/26/70/03/946267003.db2.gz AUEVFGLDUDYXBH-UHFFFAOYSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573488517 946267013 /nfs/dbraw/zinc/26/70/13/946267013.db2.gz AUEVFGLDUDYXBH-UHFFFAOYSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488772 946274373 /nfs/dbraw/zinc/27/43/73/946274373.db2.gz LSXIWTRHTVPUIF-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488772 946274381 /nfs/dbraw/zinc/27/43/81/946274381.db2.gz LSXIWTRHTVPUIF-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488749 946275908 /nfs/dbraw/zinc/27/59/08/946275908.db2.gz LDXCCOWETUKGGP-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488749 946275920 /nfs/dbraw/zinc/27/59/20/946275920.db2.gz LDXCCOWETUKGGP-GFCCVEGCSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)CNc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573488859 946277312 /nfs/dbraw/zinc/27/73/12/946277312.db2.gz OHXXJWBTMZZNLE-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)CNc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573488859 946277324 /nfs/dbraw/zinc/27/73/24/946277324.db2.gz OHXXJWBTMZZNLE-LBPRGKRZSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCC1 ZINC001573488853 946278527 /nfs/dbraw/zinc/27/85/27/946278527.db2.gz ODQBIOMFFGDWBJ-ZDUSSCGKSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)NC1(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCC1 ZINC001573488853 946278540 /nfs/dbraw/zinc/27/85/40/946278540.db2.gz ODQBIOMFFGDWBJ-ZDUSSCGKSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(N[C@@H]1CC12CCN(C(=O)[C@@H]1CC1(F)F)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571301763 946282643 /nfs/dbraw/zinc/28/26/43/946282643.db2.gz CMIRDNLNHQGCQL-CMPLNLGQSA-N -1 3 391.382 0.961 20 0 GCADHM O=C(N[C@@H]1CC12CCN(C(=O)[C@@H]1CC1(F)F)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571301763 946282650 /nfs/dbraw/zinc/28/26/50/946282650.db2.gz CMIRDNLNHQGCQL-CMPLNLGQSA-N -1 3 391.382 0.961 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823031872 946283860 /nfs/dbraw/zinc/28/38/60/946283860.db2.gz IOXBOFDPCKRCJE-CABCVRRESA-N -1 3 391.453 0.814 20 0 GCADHM NS(=O)(=O)c1cccc(CNC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001571301756 946283975 /nfs/dbraw/zinc/28/39/75/946283975.db2.gz CBCGTTUMPVNJQY-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1cccc(CNC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001571301756 946283983 /nfs/dbraw/zinc/28/39/83/946283983.db2.gz CBCGTTUMPVNJQY-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000823037547 946289205 /nfs/dbraw/zinc/28/92/05/946289205.db2.gz ZWLBOMWRAVMCER-OAHLLOKOSA-N -1 3 386.412 0.142 20 0 GCADHM O=C(N[C@@H]1CC12CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CC2)[C@@H]1CC1(F)F ZINC001571302141 946294760 /nfs/dbraw/zinc/29/47/60/946294760.db2.gz POFFKWVZANYDEJ-JOYOIKCWSA-N -1 3 391.382 0.961 20 0 GCADHM O=C(N[C@@H]1CC12CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2)[C@@H]1CC1(F)F ZINC001571302141 946294770 /nfs/dbraw/zinc/29/47/70/946294770.db2.gz POFFKWVZANYDEJ-JOYOIKCWSA-N -1 3 391.382 0.961 20 0 GCADHM C[C@]12CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]1CN(C(=O)[C@@H]1CC1(F)F)C2 ZINC001571302195 946296183 /nfs/dbraw/zinc/29/61/83/946296183.db2.gz RBBOSQOUYPUFSW-LSYCYVAJSA-N -1 3 391.382 0.771 20 0 GCADHM C[C@]12CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]1CN(C(=O)[C@@H]1CC1(F)F)C2 ZINC001571302195 946296192 /nfs/dbraw/zinc/29/61/92/946296192.db2.gz RBBOSQOUYPUFSW-LSYCYVAJSA-N -1 3 391.382 0.771 20 0 GCADHM O=C(CC1(n2cnnn2)CCOCC1)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001571302305 946301018 /nfs/dbraw/zinc/30/10/18/946301018.db2.gz UIYKHLUWCAMSLQ-UHFFFAOYSA-N -1 3 391.342 0.666 20 0 GCADHM O=C(CC1(n2cnnn2)CCOCC1)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001571302305 946301026 /nfs/dbraw/zinc/30/10/26/946301026.db2.gz UIYKHLUWCAMSLQ-UHFFFAOYSA-N -1 3 391.342 0.666 20 0 GCADHM Cc1ncc(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]3C2)c(C)n1 ZINC001571302650 946310737 /nfs/dbraw/zinc/31/07/37/946310737.db2.gz DMSWGPRMRJAHGM-GASCZTMLSA-N -1 3 391.439 0.877 20 0 GCADHM Cc1ncc(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)c(C)n1 ZINC001571302650 946310744 /nfs/dbraw/zinc/31/07/44/946310744.db2.gz DMSWGPRMRJAHGM-GASCZTMLSA-N -1 3 391.439 0.877 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1Cc2ccccc2C1 ZINC001571303019 946325061 /nfs/dbraw/zinc/32/50/61/946325061.db2.gz HJACTXQKPPKFKO-MRXNPFEDSA-N -1 3 391.435 0.941 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1Cc2ccccc2C1 ZINC001571303019 946325072 /nfs/dbraw/zinc/32/50/72/946325072.db2.gz HJACTXQKPPKFKO-MRXNPFEDSA-N -1 3 391.435 0.941 20 0 GCADHM CC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573496671 946327303 /nfs/dbraw/zinc/32/73/03/946327303.db2.gz AABLEEQNZLQRFG-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573496671 946327314 /nfs/dbraw/zinc/32/73/14/946327314.db2.gz AABLEEQNZLQRFG-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823144598 946330118 /nfs/dbraw/zinc/33/01/18/946330118.db2.gz JSIASJLGIPAPND-ZDUSSCGKSA-N -1 3 396.455 0.462 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823144598 946330128 /nfs/dbraw/zinc/33/01/28/946330128.db2.gz JSIASJLGIPAPND-ZDUSSCGKSA-N -1 3 396.455 0.462 20 0 GCADHM Cc1ccccc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571303558 946339114 /nfs/dbraw/zinc/33/91/14/946339114.db2.gz NPGZEXNRLMRZBO-HWWDLCQESA-N -1 3 391.435 0.933 20 0 GCADHM Cc1ccccc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571303558 946339126 /nfs/dbraw/zinc/33/91/26/946339126.db2.gz NPGZEXNRLMRZBO-HWWDLCQESA-N -1 3 391.435 0.933 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573497129 946344238 /nfs/dbraw/zinc/34/42/38/946344238.db2.gz LTBFGEVMLRNCET-BBRMVZONSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573497129 946344250 /nfs/dbraw/zinc/34/42/50/946344250.db2.gz LTBFGEVMLRNCET-BBRMVZONSA-N -1 3 387.444 0.731 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)COCC1CC1 ZINC000823211442 946345810 /nfs/dbraw/zinc/34/58/10/946345810.db2.gz PIRDBQISSYLDGP-AWEZNQCLSA-N -1 3 376.417 0.332 20 0 GCADHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnc3n2CCC3)ccc1-c1nnn[n-]1 ZINC001571303730 946346314 /nfs/dbraw/zinc/34/63/14/946346314.db2.gz WHPPQZVNMCAHKP-LAQFHYBYSA-N -1 3 391.439 0.577 20 0 GCADHM Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnc3n2CCC3)ccc1-c1nn[n-]n1 ZINC001571303730 946346324 /nfs/dbraw/zinc/34/63/24/946346324.db2.gz WHPPQZVNMCAHKP-LAQFHYBYSA-N -1 3 391.439 0.577 20 0 GCADHM O=C([C@@H]1CCc2n[nH]cc2C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571303846 946349558 /nfs/dbraw/zinc/34/95/58/946349558.db2.gz ZGAKWRPQXQVNSA-UGFHNGPFSA-N -1 3 391.439 0.579 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573498469 946360051 /nfs/dbraw/zinc/36/00/51/946360051.db2.gz ZRSKOZKGGIBEJE-CQSZACIVSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)NCC(=O)N(C)[C@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573498469 946360062 /nfs/dbraw/zinc/36/00/62/946360062.db2.gz ZRSKOZKGGIBEJE-CQSZACIVSA-N -1 3 375.408 0.791 20 0 GCADHM CC(C)(O)CC(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]2C1 ZINC001571305471 946364654 /nfs/dbraw/zinc/36/46/54/946364654.db2.gz CCIWWQKXAOVRSY-TXEJJXNPSA-N -1 3 391.863 0.971 20 0 GCADHM CC(C)(O)CC(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]2C1 ZINC001571305471 946364665 /nfs/dbraw/zinc/36/46/65/946364665.db2.gz CCIWWQKXAOVRSY-TXEJJXNPSA-N -1 3 391.863 0.971 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)N[C@H]1C(=O)NCC12CCOCC2 ZINC001571305562 946367017 /nfs/dbraw/zinc/36/70/17/946367017.db2.gz FFSYTRSDIHJLNV-LBPRGKRZSA-N -1 3 391.819 0.937 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)N[C@H]1C(=O)NCC12CCOCC2 ZINC001571305562 946367031 /nfs/dbraw/zinc/36/70/31/946367031.db2.gz FFSYTRSDIHJLNV-LBPRGKRZSA-N -1 3 391.819 0.937 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573500940 946377401 /nfs/dbraw/zinc/37/74/01/946377401.db2.gz LTSMABHFHQPYLE-ZDUSSCGKSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573500940 946377416 /nfs/dbraw/zinc/37/74/16/946377416.db2.gz LTSMABHFHQPYLE-ZDUSSCGKSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573503671 946395061 /nfs/dbraw/zinc/39/50/61/946395061.db2.gz BQTOPHVEQZHZOK-CABZTGNLSA-N -1 3 392.489 0.664 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](C)[C@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573503672 946395175 /nfs/dbraw/zinc/39/51/75/946395175.db2.gz BQTOPHVEQZHZOK-JOYOIKCWSA-N -1 3 392.489 0.664 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573503698 946396328 /nfs/dbraw/zinc/39/63/28/946396328.db2.gz BFCXDUMPEYWYTA-GJZGRUSLSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573503698 946396337 /nfs/dbraw/zinc/39/63/37/946396337.db2.gz BFCXDUMPEYWYTA-GJZGRUSLSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573503738 946398421 /nfs/dbraw/zinc/39/84/21/946398421.db2.gz BORKKDXFOLDUTB-BXKDBHETSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573503997 946404281 /nfs/dbraw/zinc/40/42/81/946404281.db2.gz DCSJACXJIIUAAV-SWLSCSKDSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573503997 946404291 /nfs/dbraw/zinc/40/42/91/946404291.db2.gz DCSJACXJIIUAAV-SWLSCSKDSA-N -1 3 386.460 0.888 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571306561 946405750 /nfs/dbraw/zinc/40/57/50/946405750.db2.gz XJRMYQPNGKOIJT-NAKRPEOUSA-N -1 3 391.819 0.783 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571306561 946405756 /nfs/dbraw/zinc/40/57/56/946405756.db2.gz XJRMYQPNGKOIJT-NAKRPEOUSA-N -1 3 391.819 0.783 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573504083 946406590 /nfs/dbraw/zinc/40/65/90/946406590.db2.gz FUTKHTTYDCTMNX-ZYHUDNBSSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573504083 946406601 /nfs/dbraw/zinc/40/66/01/946406601.db2.gz FUTKHTTYDCTMNX-ZYHUDNBSSA-N -1 3 390.423 0.433 20 0 GCADHM Cc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)ccc1-c1nnn[n-]1 ZINC001571306737 946408931 /nfs/dbraw/zinc/40/89/31/946408931.db2.gz OCIMSDMAKYGMQT-NQBHXWOUSA-N -1 3 391.457 0.206 20 0 GCADHM Cc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)ccc1-c1nn[n-]n1 ZINC001571306737 946408943 /nfs/dbraw/zinc/40/89/43/946408943.db2.gz OCIMSDMAKYGMQT-NQBHXWOUSA-N -1 3 391.457 0.206 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573505058 946414516 /nfs/dbraw/zinc/41/45/16/946414516.db2.gz IRZYUQXVXRRNDM-BXKDBHETSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573505058 946414522 /nfs/dbraw/zinc/41/45/22/946414522.db2.gz IRZYUQXVXRRNDM-BXKDBHETSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001573504742 946415720 /nfs/dbraw/zinc/41/57/20/946415720.db2.gz IRFLUFYEEUVXGG-AWEZNQCLSA-N -1 3 389.391 0.380 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001573504742 946415729 /nfs/dbraw/zinc/41/57/29/946415729.db2.gz IRFLUFYEEUVXGG-AWEZNQCLSA-N -1 3 389.391 0.380 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573505067 946416564 /nfs/dbraw/zinc/41/65/64/946416564.db2.gz IYHKFNZFHSJHIP-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573505067 946416571 /nfs/dbraw/zinc/41/65/71/946416571.db2.gz IYHKFNZFHSJHIP-AWEZNQCLSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573505794 946423291 /nfs/dbraw/zinc/42/32/91/946423291.db2.gz ODKBRLUPNYCPDE-SNVBAGLBSA-N -1 3 378.824 0.312 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573505794 946423300 /nfs/dbraw/zinc/42/33/00/946423300.db2.gz ODKBRLUPNYCPDE-SNVBAGLBSA-N -1 3 378.824 0.312 20 0 GCADHM CC(=O)NCC(=O)N1CCC(C)(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573505958 946425598 /nfs/dbraw/zinc/42/55/98/946425598.db2.gz PUYYYVBRRRHZHT-UHFFFAOYSA-N -1 3 378.462 0.561 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573506071 946430116 /nfs/dbraw/zinc/43/01/16/946430116.db2.gz OVUXXZVLYMMBLW-NSHDSACASA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573506071 946430120 /nfs/dbraw/zinc/43/01/20/946430120.db2.gz OVUXXZVLYMMBLW-NSHDSACASA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573506299 946430717 /nfs/dbraw/zinc/43/07/17/946430717.db2.gz PFEHHKBABQDZAT-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573506299 946430724 /nfs/dbraw/zinc/43/07/24/946430724.db2.gz PFEHHKBABQDZAT-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CCN2c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573506374 946433405 /nfs/dbraw/zinc/43/34/05/946433405.db2.gz QESPIMNBOOHGAN-ZFWWWQNUSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@@H](CCN2c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573506374 946433411 /nfs/dbraw/zinc/43/34/11/946433411.db2.gz QESPIMNBOOHGAN-ZFWWWQNUSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573506732 946437482 /nfs/dbraw/zinc/43/74/82/946437482.db2.gz SWMMCRNIBDLYPH-DOMZBBRYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573506732 946437488 /nfs/dbraw/zinc/43/74/88/946437488.db2.gz SWMMCRNIBDLYPH-DOMZBBRYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@]2(CCN(c3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001573506774 946437665 /nfs/dbraw/zinc/43/76/65/946437665.db2.gz UAMNHRZZVZEKLO-INIZCTEOSA-N -1 3 390.473 0.197 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCN(C)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573506793 946438772 /nfs/dbraw/zinc/43/87/72/946438772.db2.gz TXRVCJDWEBITQN-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCN(C)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573506793 946438776 /nfs/dbraw/zinc/43/87/76/946438776.db2.gz TXRVCJDWEBITQN-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573507104 946442545 /nfs/dbraw/zinc/44/25/45/946442545.db2.gz UZRWCMKXGDROGS-GZMMTYOYSA-N -1 3 378.462 0.417 20 0 GCADHM CS(=O)(=O)c1ccc(NC(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)nn1 ZINC001571309384 946442852 /nfs/dbraw/zinc/44/28/52/946442852.db2.gz YRPUBQKQCQSUES-UHFFFAOYSA-N -1 3 392.376 0.521 20 0 GCADHM CS(=O)(=O)c1ccc(NC(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)nn1 ZINC001571309384 946442860 /nfs/dbraw/zinc/44/28/60/946442860.db2.gz YRPUBQKQCQSUES-UHFFFAOYSA-N -1 3 392.376 0.521 20 0 GCADHM O=C(CCn1ccccc1=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571309458 946444828 /nfs/dbraw/zinc/44/48/28/946444828.db2.gz ANMYIQYWMNGPSW-GJZGRUSLSA-N -1 3 392.423 0.303 20 0 GCADHM O=C(CCn1ccccc1=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571309458 946444832 /nfs/dbraw/zinc/44/48/32/946444832.db2.gz ANMYIQYWMNGPSW-GJZGRUSLSA-N -1 3 392.423 0.303 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@H](CCN2c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573507654 946446909 /nfs/dbraw/zinc/44/69/09/946446909.db2.gz WJLJFIIYXPBAIX-OCCSQVGLSA-N -1 3 387.419 0.569 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@H](CCN2c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573507654 946446913 /nfs/dbraw/zinc/44/69/13/946446913.db2.gz WJLJFIIYXPBAIX-OCCSQVGLSA-N -1 3 387.419 0.569 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573507551 946447079 /nfs/dbraw/zinc/44/70/79/946447079.db2.gz ZDFMIVGRLFFNPM-UHFFFAOYSA-N -1 3 390.423 0.578 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573507551 946447088 /nfs/dbraw/zinc/44/70/88/946447088.db2.gz ZDFMIVGRLFFNPM-UHFFFAOYSA-N -1 3 390.423 0.578 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823600428 946450453 /nfs/dbraw/zinc/45/04/53/946450453.db2.gz HSEQTAANOZKBJW-LBPRGKRZSA-N -1 3 396.448 0.349 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823600428 946450461 /nfs/dbraw/zinc/45/04/61/946450461.db2.gz HSEQTAANOZKBJW-LBPRGKRZSA-N -1 3 396.448 0.349 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573508059 946451973 /nfs/dbraw/zinc/45/19/73/946451973.db2.gz XXIAEJQWNPTATF-HIFRSBDPSA-N -1 3 384.444 0.133 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573508059 946451974 /nfs/dbraw/zinc/45/19/74/946451974.db2.gz XXIAEJQWNPTATF-HIFRSBDPSA-N -1 3 384.444 0.133 20 0 GCADHM COc1cncc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571309762 946453027 /nfs/dbraw/zinc/45/30/27/946453027.db2.gz KAALRERXLHIGDI-GJZGRUSLSA-N -1 3 392.423 0.764 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823613527 946453903 /nfs/dbraw/zinc/45/39/03/946453903.db2.gz KMCQZKYGHAXDSI-KBPBESRZSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823613527 946453909 /nfs/dbraw/zinc/45/39/09/946453909.db2.gz KMCQZKYGHAXDSI-KBPBESRZSA-N -1 3 397.482 0.597 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573508238 946454966 /nfs/dbraw/zinc/45/49/66/946454966.db2.gz YTHAPGMDKGBITK-JOYOIKCWSA-N -1 3 392.489 0.807 20 0 GCADHM Cc1cc(C)nc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)c1 ZINC001571309858 946455013 /nfs/dbraw/zinc/45/50/13/946455013.db2.gz MYVWSGKHFVGDTQ-ATCWAGBWSA-N -1 3 392.423 0.707 20 0 GCADHM Cc1cc(C)nc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)c1 ZINC001571309858 946455022 /nfs/dbraw/zinc/45/50/22/946455022.db2.gz MYVWSGKHFVGDTQ-ATCWAGBWSA-N -1 3 392.423 0.707 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@@H]2Cc3cccnc3C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571309864 946455227 /nfs/dbraw/zinc/45/52/27/946455227.db2.gz NFCMAVBUXYZPEK-OCCSQVGLSA-N -1 3 392.423 0.336 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@@H]2Cc3cccnc3C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571309864 946455236 /nfs/dbraw/zinc/45/52/36/946455236.db2.gz NFCMAVBUXYZPEK-OCCSQVGLSA-N -1 3 392.423 0.336 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@H](CNc3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571309903 946457561 /nfs/dbraw/zinc/45/75/61/946457561.db2.gz PCPNWSAAEGRPFR-GFCCVEGCSA-N -1 3 392.423 0.935 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CC[C@H](CNc3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571309903 946457576 /nfs/dbraw/zinc/45/75/76/946457576.db2.gz PCPNWSAAEGRPFR-GFCCVEGCSA-N -1 3 392.423 0.935 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)cn1 ZINC001571310087 946461249 /nfs/dbraw/zinc/46/12/49/946461249.db2.gz UXILTVRPXLTYCW-XJKSGUPXSA-N -1 3 392.423 0.885 20 0 GCADHM Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)cn1 ZINC001571310087 946461262 /nfs/dbraw/zinc/46/12/62/946461262.db2.gz UXILTVRPXLTYCW-XJKSGUPXSA-N -1 3 392.423 0.885 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573509481 946463666 /nfs/dbraw/zinc/46/36/66/946463666.db2.gz MXRLDOSXETXNCV-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573509481 946463674 /nfs/dbraw/zinc/46/36/74/946463674.db2.gz MXRLDOSXETXNCV-CQSZACIVSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573509569 946464177 /nfs/dbraw/zinc/46/41/77/946464177.db2.gz OFLBNFAEPITZRB-BXKDBHETSA-N -1 3 392.489 0.949 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573509581 946464225 /nfs/dbraw/zinc/46/42/25/946464225.db2.gz OFLBNFAEPITZRB-SKDRFNHKSA-N -1 3 392.489 0.949 20 0 GCADHM NC(=O)c1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001571310224 946465731 /nfs/dbraw/zinc/46/57/31/946465731.db2.gz ZADZSOYFZYKTRK-WGRBQBNCSA-N -1 3 392.423 0.981 20 0 GCADHM NC(=O)c1ccc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001571310224 946465738 /nfs/dbraw/zinc/46/57/38/946465738.db2.gz ZADZSOYFZYKTRK-WGRBQBNCSA-N -1 3 392.423 0.981 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2(c3cccnc3)CC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571310257 946466552 /nfs/dbraw/zinc/46/65/52/946466552.db2.gz ZVQUYNTWWYEJIO-CQSZACIVSA-N -1 3 392.423 0.652 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2(c3cccnc3)CC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571310257 946466561 /nfs/dbraw/zinc/46/65/61/946466561.db2.gz ZVQUYNTWWYEJIO-CQSZACIVSA-N -1 3 392.423 0.652 20 0 GCADHM Cc1ncccc1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571310213 946466919 /nfs/dbraw/zinc/46/69/19/946466919.db2.gz YNCUARUJYDIOIQ-UHFFFAOYSA-N -1 3 392.423 0.887 20 0 GCADHM Cc1ncccc1C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571310213 946466928 /nfs/dbraw/zinc/46/69/28/946466928.db2.gz YNCUARUJYDIOIQ-UHFFFAOYSA-N -1 3 392.423 0.887 20 0 GCADHM OCC1(CN2CCN(c3oc(-c4ccco4)nc3-c3nnn[n-]3)CC2)COC1 ZINC000823714786 946470385 /nfs/dbraw/zinc/47/03/85/946470385.db2.gz PFXBXINZWVLNKA-UHFFFAOYSA-N -1 3 387.400 0.246 20 0 GCADHM OCC1(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)COC1 ZINC000823714786 946470390 /nfs/dbraw/zinc/47/03/90/946470390.db2.gz PFXBXINZWVLNKA-UHFFFAOYSA-N -1 3 387.400 0.246 20 0 GCADHM Cc1nsc(N2CCC[C@H](NC(=O)[C@H]3COC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571310522 946473071 /nfs/dbraw/zinc/47/30/71/946473071.db2.gz IOVDVGWELGZRDX-VHSXEESVSA-N -1 3 392.445 0.215 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573510192 946474510 /nfs/dbraw/zinc/47/45/10/946474510.db2.gz BFWMLLIZSWKUNE-JQWIXIFHSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573510192 946474515 /nfs/dbraw/zinc/47/45/15/946474515.db2.gz BFWMLLIZSWKUNE-JQWIXIFHSA-N -1 3 390.423 0.258 20 0 GCADHM Cc1nsc(NC[C@]2(C)CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571310570 946475482 /nfs/dbraw/zinc/47/54/82/946475482.db2.gz JCHJMJYVKNHSQR-VFZGTOFNSA-N -1 3 392.445 0.391 20 0 GCADHM Cc1nsc(NCC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571310561 946475674 /nfs/dbraw/zinc/47/56/74/946475674.db2.gz JADDOUGHDPCEGY-JTQLQIEISA-N -1 3 392.445 0.391 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573511628 946489500 /nfs/dbraw/zinc/48/95/00/946489500.db2.gz BYCNBZVAZIJEMQ-YPMHNXCESA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573511628 946489502 /nfs/dbraw/zinc/48/95/02/946489502.db2.gz BYCNBZVAZIJEMQ-YPMHNXCESA-N -1 3 375.408 0.839 20 0 GCADHM Cc1nsc(NCC[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571311508 946489732 /nfs/dbraw/zinc/48/97/32/946489732.db2.gz ZJBHTLGQYHQJTL-ZJUUUORDSA-N -1 3 392.445 0.391 20 0 GCADHM COC(=O)[C@@H](O)CCNC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1 ZINC001571311538 946489787 /nfs/dbraw/zinc/48/97/87/946489787.db2.gz ZPFOJVMNDPPSAG-NSHDSACASA-N -1 3 392.441 0.515 20 0 GCADHM CC(=O)NCC(=O)N[C@](C)(CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573511861 946492153 /nfs/dbraw/zinc/49/21/53/946492153.db2.gz UHYUHDTZEDGCRS-QGZVFWFLSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@](C)(CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573511861 946492158 /nfs/dbraw/zinc/49/21/58/946492158.db2.gz UHYUHDTZEDGCRS-QGZVFWFLSA-N -1 3 375.408 0.839 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1(c2cccnc2)CC1 ZINC001571312522 946493706 /nfs/dbraw/zinc/49/37/06/946493706.db2.gz GQIPOCSEIISRFS-AWEZNQCLSA-N -1 3 392.423 0.652 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1(c2cccnc2)CC1 ZINC001571312522 946493718 /nfs/dbraw/zinc/49/37/18/946493718.db2.gz GQIPOCSEIISRFS-AWEZNQCLSA-N -1 3 392.423 0.652 20 0 GCADHM O=C(c1cc[nH]c(=O)c1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571312574 946495435 /nfs/dbraw/zinc/49/54/35/946495435.db2.gz HVXFTMQGRWGQAF-KGLIPLIRSA-N -1 3 392.423 0.961 20 0 GCADHM O=C(c1cc[nH]c(=O)c1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571312574 946495443 /nfs/dbraw/zinc/49/54/43/946495443.db2.gz HVXFTMQGRWGQAF-KGLIPLIRSA-N -1 3 392.423 0.961 20 0 GCADHM CC(=O)NCC(=O)N[C@](C)(CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573512167 946496108 /nfs/dbraw/zinc/49/61/08/946496108.db2.gz VEPDUIFGEJSZFZ-OAHLLOKOSA-N -1 3 378.462 0.465 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C12CCC2 ZINC001573512413 946497697 /nfs/dbraw/zinc/49/76/97/946497697.db2.gz FRVFDWGFVCAPQD-KGLIPLIRSA-N -1 3 387.419 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C12CCC2 ZINC001573512413 946497707 /nfs/dbraw/zinc/49/77/07/946497707.db2.gz FRVFDWGFVCAPQD-KGLIPLIRSA-N -1 3 387.419 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CCCC1 ZINC001573512691 946502930 /nfs/dbraw/zinc/50/29/30/946502930.db2.gz ZPUZMIWGRDBDRJ-AWEZNQCLSA-N -1 3 390.423 0.624 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CCCC1 ZINC001573512691 946502935 /nfs/dbraw/zinc/50/29/35/946502935.db2.gz ZPUZMIWGRDBDRJ-AWEZNQCLSA-N -1 3 390.423 0.624 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)ccc1-c1nnn[n-]1)C2 ZINC001573512825 946504914 /nfs/dbraw/zinc/50/49/14/946504914.db2.gz IKNSRQSYTDYUAN-IHRRRGAJSA-N -1 3 384.444 0.180 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1nc(C)ccc1-c1nn[n-]n1)C2 ZINC001573512825 946504924 /nfs/dbraw/zinc/50/49/24/946504924.db2.gz IKNSRQSYTDYUAN-IHRRRGAJSA-N -1 3 384.444 0.180 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512798 946506430 /nfs/dbraw/zinc/50/64/30/946506430.db2.gz HWQKOXMQWRNADU-RYUDHWBXSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512798 946506440 /nfs/dbraw/zinc/50/64/40/946506440.db2.gz HWQKOXMQWRNADU-RYUDHWBXSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2ccc(-c3nnn[n-]3)c(C)n2)CCCCC1 ZINC001573513039 946507141 /nfs/dbraw/zinc/50/71/41/946507141.db2.gz KCXXBCGYMCVWCS-UHFFFAOYSA-N -1 3 386.460 0.937 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2ccc(-c3nn[n-]n3)c(C)n2)CCCCC1 ZINC001573513039 946507152 /nfs/dbraw/zinc/50/71/52/946507152.db2.gz KCXXBCGYMCVWCS-UHFFFAOYSA-N -1 3 386.460 0.937 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573513777 946514936 /nfs/dbraw/zinc/51/49/36/946514936.db2.gz QDXRQARMMITTMG-RYUDHWBXSA-N -1 3 376.396 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573513777 946514948 /nfs/dbraw/zinc/51/49/48/946514948.db2.gz QDXRQARMMITTMG-RYUDHWBXSA-N -1 3 376.396 0.376 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571313313 946517322 /nfs/dbraw/zinc/51/73/22/946517322.db2.gz PSSUGJLZZOFIDW-SOUVJXGZSA-N -1 3 392.423 0.724 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571313313 946517326 /nfs/dbraw/zinc/51/73/26/946517326.db2.gz PSSUGJLZZOFIDW-SOUVJXGZSA-N -1 3 392.423 0.724 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2C1 ZINC001573514105 946518973 /nfs/dbraw/zinc/51/89/73/946518973.db2.gz SABJNUMPLCXZPY-SOUVJXGZSA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2C1 ZINC001573514105 946518984 /nfs/dbraw/zinc/51/89/84/946518984.db2.gz SABJNUMPLCXZPY-SOUVJXGZSA-N -1 3 384.444 0.119 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573514271 946522248 /nfs/dbraw/zinc/52/22/48/946522248.db2.gz WBZDQTSCPXCIPL-JOYOIKCWSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573514271 946522253 /nfs/dbraw/zinc/52/22/53/946522253.db2.gz WBZDQTSCPXCIPL-JOYOIKCWSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573514229 946522731 /nfs/dbraw/zinc/52/27/31/946522731.db2.gz VPXXVTRYBIGJRH-UHFFFAOYSA-N -1 3 378.462 0.609 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC12CCN(c1ncc(-c3nnn[n-]3)cc1F)CC2 ZINC001573514274 946525702 /nfs/dbraw/zinc/52/57/02/946525702.db2.gz WCCYOGZPUXMDHW-ZDUSSCGKSA-N -1 3 388.407 0.012 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC12CCN(c1ncc(-c3nn[n-]n3)cc1F)CC2 ZINC001573514274 946525712 /nfs/dbraw/zinc/52/57/12/946525712.db2.gz WCCYOGZPUXMDHW-ZDUSSCGKSA-N -1 3 388.407 0.012 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncc(-c3nnn[n-]3)cc1F)C2 ZINC001573514318 946526125 /nfs/dbraw/zinc/52/61/25/946526125.db2.gz XCDVLFWYAKHAPH-UHTWSYAYSA-N -1 3 388.407 0.010 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncc(-c3nn[n-]n3)cc1F)C2 ZINC001573514318 946526130 /nfs/dbraw/zinc/52/61/30/946526130.db2.gz XCDVLFWYAKHAPH-UHTWSYAYSA-N -1 3 388.407 0.010 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(c2nccc(C)c2-c2nnn[n-]2)C1 ZINC000823967804 946530934 /nfs/dbraw/zinc/53/09/34/946530934.db2.gz PGCAYSARHCJDJG-ZDUSSCGKSA-N -1 3 383.416 0.889 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@H]1CCN(c2nccc(C)c2-c2nn[n-]n2)C1 ZINC000823967804 946530944 /nfs/dbraw/zinc/53/09/44/946530944.db2.gz PGCAYSARHCJDJG-ZDUSSCGKSA-N -1 3 383.416 0.889 20 0 GCADHM CC(=O)N1CCCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000823982176 946532554 /nfs/dbraw/zinc/53/25/54/946532554.db2.gz WGUOFBXHGHIGRA-KRWDZBQOSA-N -1 3 383.456 0.916 20 0 GCADHM O=C(c1cc[nH]n1)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571313861 946534927 /nfs/dbraw/zinc/53/49/27/946534927.db2.gz WSALSUXEUXHQCC-ASHKBJFXSA-N -1 3 392.427 0.367 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@H]1C ZINC001573514803 946535492 /nfs/dbraw/zinc/53/54/92/946535492.db2.gz DLBDWTXZHLCRDN-TVQRCGJNSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@H]1C ZINC001573514803 946535501 /nfs/dbraw/zinc/53/55/01/946535501.db2.gz DLBDWTXZHLCRDN-TVQRCGJNSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NC1CCC(NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823989474 946536740 /nfs/dbraw/zinc/53/67/40/946536740.db2.gz YUEWQRRFSKQQGV-UHFFFAOYSA-N -1 3 382.421 0.731 20 0 GCADHM CC(=O)NC[C@@H]1CN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000823994930 946537686 /nfs/dbraw/zinc/53/76/86/946537686.db2.gz SWQRBDWHTAVOJQ-SJORKVTESA-N -1 3 399.455 0.199 20 0 GCADHM CC(=O)NC[C@@H]1CN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000823994930 946537699 /nfs/dbraw/zinc/53/76/99/946537699.db2.gz SWQRBDWHTAVOJQ-SJORKVTESA-N -1 3 399.455 0.199 20 0 GCADHM CC(=O)NC[C@@H]1CN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000823994928 946539404 /nfs/dbraw/zinc/53/94/04/946539404.db2.gz SWQRBDWHTAVOJQ-IAGOWNOFSA-N -1 3 399.455 0.199 20 0 GCADHM CC(=O)NC[C@@H]1CN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000823994928 946539415 /nfs/dbraw/zinc/53/94/15/946539415.db2.gz SWQRBDWHTAVOJQ-IAGOWNOFSA-N -1 3 399.455 0.199 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)CC1(C)C ZINC001573515344 946543526 /nfs/dbraw/zinc/54/35/26/946543526.db2.gz LBLHWFNKGSVGSI-NSHDSACASA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000824014221 946546355 /nfs/dbraw/zinc/54/63/55/946546355.db2.gz FKQISWHVISLSBV-UHFFFAOYSA-N -1 3 399.455 0.050 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCOCC3)CC2)c1 ZINC000824014221 946546363 /nfs/dbraw/zinc/54/63/63/946546363.db2.gz FKQISWHVISLSBV-UHFFFAOYSA-N -1 3 399.455 0.050 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001573516134 946557081 /nfs/dbraw/zinc/55/70/81/946557081.db2.gz VAFIJTAQGORXFR-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001573516134 946557082 /nfs/dbraw/zinc/55/70/82/946557082.db2.gz VAFIJTAQGORXFR-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573516977 946565010 /nfs/dbraw/zinc/56/50/10/946565010.db2.gz BFFKYJBJFQYKLA-LBPRGKRZSA-N -1 3 376.396 0.012 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573516977 946565016 /nfs/dbraw/zinc/56/50/16/946565016.db2.gz BFFKYJBJFQYKLA-LBPRGKRZSA-N -1 3 376.396 0.012 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000824040282 946565122 /nfs/dbraw/zinc/56/51/22/946565122.db2.gz NZRUAFLEXACDJW-AWEZNQCLSA-N -1 3 395.471 0.647 20 0 GCADHM CC(=O)NCC(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CCCCC1 ZINC001573517202 946567219 /nfs/dbraw/zinc/56/72/19/946567219.db2.gz DTFJGIIFYFTDDX-UHFFFAOYSA-N -1 3 392.489 0.999 20 0 GCADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573517449 946573806 /nfs/dbraw/zinc/57/38/06/946573806.db2.gz KIEFXRCNZGWXQI-GOSISDBHSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573517449 946573810 /nfs/dbraw/zinc/57/38/10/946573810.db2.gz KIEFXRCNZGWXQI-GOSISDBHSA-N -1 3 386.460 0.429 20 0 GCADHM CC(=O)NCC(=O)NCC1CC(Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573517741 946579890 /nfs/dbraw/zinc/57/98/90/946579890.db2.gz QJJFJMSFQBAGPH-UHFFFAOYSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)NCC1CC(Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573517741 946579895 /nfs/dbraw/zinc/57/98/95/946579895.db2.gz QJJFJMSFQBAGPH-UHFFFAOYSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)c1ccccc1 ZINC001573517863 946585324 /nfs/dbraw/zinc/58/53/24/946585324.db2.gz TVAYQJIWTFBBCW-MRXNPFEDSA-N -1 3 380.412 0.667 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)c1ccccc1 ZINC001573517863 946585341 /nfs/dbraw/zinc/58/53/41/946585341.db2.gz TVAYQJIWTFBBCW-MRXNPFEDSA-N -1 3 380.412 0.667 20 0 GCADHM O=C([C@H]1CCc2nccn2C1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571316673 946585608 /nfs/dbraw/zinc/58/56/08/946585608.db2.gz JONMXGPMHCXGGG-KRWDZBQOSA-N -1 3 392.467 0.970 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573518103 946586707 /nfs/dbraw/zinc/58/67/07/946586707.db2.gz XNJUFTCTKNNDER-CQSZACIVSA-N -1 3 389.435 0.613 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573518318 946587048 /nfs/dbraw/zinc/58/70/48/946587048.db2.gz YTFVUTPDNNOZQK-LLVKDONJSA-N -1 3 392.851 0.384 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573518318 946587053 /nfs/dbraw/zinc/58/70/53/946587053.db2.gz YTFVUTPDNNOZQK-LLVKDONJSA-N -1 3 392.851 0.384 20 0 GCADHM O=C(c1csc(Cl)n1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571317560 946613608 /nfs/dbraw/zinc/61/36/08/946613608.db2.gz MPNOXPPBSFFLHM-UHFFFAOYSA-N -1 3 392.832 0.903 20 0 GCADHM O=C(c1csc(Cl)n1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571317560 946613616 /nfs/dbraw/zinc/61/36/16/946613616.db2.gz MPNOXPPBSFFLHM-UHFFFAOYSA-N -1 3 392.832 0.903 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001571317578 946614549 /nfs/dbraw/zinc/61/45/49/946614549.db2.gz NHXVZJBXQCNTEM-OPQSFPLASA-N -1 3 392.485 0.405 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O ZINC001571317578 946614552 /nfs/dbraw/zinc/61/45/52/946614552.db2.gz NHXVZJBXQCNTEM-OPQSFPLASA-N -1 3 392.485 0.405 20 0 GCADHM CO[C@@H](C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@@H]1CCOC1 ZINC001571317668 946616561 /nfs/dbraw/zinc/61/65/61/946616561.db2.gz QINHMCHHADDEAL-IUODEOHRSA-N -1 3 392.485 0.624 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2O)CCOCC1 ZINC001571317725 946619297 /nfs/dbraw/zinc/61/92/97/946619297.db2.gz SNWWDKFUNGAEMI-CHWSQXEVSA-N -1 3 392.485 0.406 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2O)CCOCC1 ZINC001571317725 946619305 /nfs/dbraw/zinc/61/93/05/946619305.db2.gz SNWWDKFUNGAEMI-CHWSQXEVSA-N -1 3 392.485 0.406 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)c1csnn1 ZINC001571317782 946621091 /nfs/dbraw/zinc/62/10/91/946621091.db2.gz VSQKVSYMBABBJH-GXSJLCMTSA-N -1 3 392.470 0.145 20 0 GCADHM CC1(C)CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001571317837 946621761 /nfs/dbraw/zinc/62/17/61/946621761.db2.gz WVVWDAZDCHQXSG-GXTWGEPZSA-N -1 3 392.485 0.670 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573522212 946622016 /nfs/dbraw/zinc/62/20/16/946622016.db2.gz CFCCPFUDZRMMPI-LBPRGKRZSA-N -1 3 391.501 0.781 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573522119 946623650 /nfs/dbraw/zinc/62/36/50/946623650.db2.gz AXCWUZQYJIJHAF-ZDUSSCGKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573522119 946623658 /nfs/dbraw/zinc/62/36/58/946623658.db2.gz AXCWUZQYJIJHAF-ZDUSSCGKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573522236 946624735 /nfs/dbraw/zinc/62/47/35/946624735.db2.gz CNPQHGPSQKFLQM-AWEZNQCLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573522236 946624743 /nfs/dbraw/zinc/62/47/43/946624743.db2.gz CNPQHGPSQKFLQM-AWEZNQCLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573522449 946627290 /nfs/dbraw/zinc/62/72/90/946627290.db2.gz FYEYOQNZWIXVDR-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573522449 946627293 /nfs/dbraw/zinc/62/72/93/946627293.db2.gz FYEYOQNZWIXVDR-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573522463 946627578 /nfs/dbraw/zinc/62/75/78/946627578.db2.gz GOSDBHXTWFNQCQ-LBPRGKRZSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573522463 946627582 /nfs/dbraw/zinc/62/75/82/946627582.db2.gz GOSDBHXTWFNQCQ-LBPRGKRZSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573522743 946629694 /nfs/dbraw/zinc/62/96/94/946629694.db2.gz JNJSKCHCERYPPX-BXUZGUMPSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573522743 946629698 /nfs/dbraw/zinc/62/96/98/946629698.db2.gz JNJSKCHCERYPPX-BXUZGUMPSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573523179 946634065 /nfs/dbraw/zinc/63/40/65/946634065.db2.gz PKNIOHLEVNDOEG-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573523179 946634072 /nfs/dbraw/zinc/63/40/72/946634072.db2.gz PKNIOHLEVNDOEG-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573523418 946635305 /nfs/dbraw/zinc/63/53/05/946635305.db2.gz RAEJBHPYVRGLJT-CYBMUJFWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573523418 946635311 /nfs/dbraw/zinc/63/53/11/946635311.db2.gz RAEJBHPYVRGLJT-CYBMUJFWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573523628 946636234 /nfs/dbraw/zinc/63/62/34/946636234.db2.gz SZDTZBBHIGQMHR-UHFFFAOYSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573523628 946636238 /nfs/dbraw/zinc/63/62/38/946636238.db2.gz SZDTZBBHIGQMHR-UHFFFAOYSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573523452 946636344 /nfs/dbraw/zinc/63/63/44/946636344.db2.gz RQRLUVSUINGWQW-UHFFFAOYSA-N -1 3 385.472 0.672 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573523452 946636351 /nfs/dbraw/zinc/63/63/51/946636351.db2.gz RQRLUVSUINGWQW-UHFFFAOYSA-N -1 3 385.472 0.672 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573523713 946639172 /nfs/dbraw/zinc/63/91/72/946639172.db2.gz WCJNNZDIXPFSIC-LBPRGKRZSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573523713 946639176 /nfs/dbraw/zinc/63/91/76/946639176.db2.gz WCJNNZDIXPFSIC-LBPRGKRZSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573524102 946640465 /nfs/dbraw/zinc/64/04/65/946640465.db2.gz ZOOTWTFAQVDVMG-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573524102 946640471 /nfs/dbraw/zinc/64/04/71/946640471.db2.gz ZOOTWTFAQVDVMG-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCC1 ZINC001573527729 946645616 /nfs/dbraw/zinc/64/56/16/946645616.db2.gz GAOSYTRVRBAXGR-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCC1 ZINC001573527729 946645628 /nfs/dbraw/zinc/64/56/28/946645628.db2.gz GAOSYTRVRBAXGR-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573527830 946648195 /nfs/dbraw/zinc/64/81/95/946648195.db2.gz JAIGENSTWRGCFT-LBPRGKRZSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573527830 946648200 /nfs/dbraw/zinc/64/82/00/946648200.db2.gz JAIGENSTWRGCFT-LBPRGKRZSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573527812 946648676 /nfs/dbraw/zinc/64/86/76/946648676.db2.gz IOHAPHLEUZBKPF-CYBMUJFWSA-N -1 3 386.460 0.367 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573527812 946648683 /nfs/dbraw/zinc/64/86/83/946648683.db2.gz IOHAPHLEUZBKPF-CYBMUJFWSA-N -1 3 386.460 0.367 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573528169 946657790 /nfs/dbraw/zinc/65/77/90/946657790.db2.gz WWZVMUPXHUKIOG-BETUJISGSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573528169 946657795 /nfs/dbraw/zinc/65/77/95/946657795.db2.gz WWZVMUPXHUKIOG-BETUJISGSA-N -1 3 386.460 0.731 20 0 GCADHM CC(=O)NCCCCCN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC001573530391 946694185 /nfs/dbraw/zinc/69/41/85/946694185.db2.gz YRVJAKSRMFEZAJ-SFHVURJKSA-N -1 3 385.428 0.940 20 0 GCADHM CC(=O)NCCCCCN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC001573530391 946694192 /nfs/dbraw/zinc/69/41/92/946694192.db2.gz YRVJAKSRMFEZAJ-SFHVURJKSA-N -1 3 385.428 0.940 20 0 GCADHM C[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824441147 946710642 /nfs/dbraw/zinc/71/06/42/946710642.db2.gz OHDPTICTJKJPCV-MRVPVSSYSA-N -1 3 390.791 0.141 20 0 GCADHM C[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824441147 946710650 /nfs/dbraw/zinc/71/06/50/946710650.db2.gz OHDPTICTJKJPCV-MRVPVSSYSA-N -1 3 390.791 0.141 20 0 GCADHM CC(=O)NCc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573533432 946713701 /nfs/dbraw/zinc/71/37/01/946713701.db2.gz QTCPAOKTLJIWGY-UHFFFAOYSA-N -1 3 386.437 0.981 20 0 GCADHM CC(=O)NCc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573533432 946713708 /nfs/dbraw/zinc/71/37/08/946713708.db2.gz QTCPAOKTLJIWGY-UHFFFAOYSA-N -1 3 386.437 0.981 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1)C(C)C ZINC001573535823 946723887 /nfs/dbraw/zinc/72/38/87/946723887.db2.gz KATZNNDYLOLQBH-UMVBOHGHSA-N -1 3 386.460 0.790 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1)C(C)C ZINC001573535823 946723898 /nfs/dbraw/zinc/72/38/98/946723898.db2.gz KATZNNDYLOLQBH-UMVBOHGHSA-N -1 3 386.460 0.790 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ncccc1-c1nnn[n-]1)C(C)C)C(C)C ZINC001573535990 946728247 /nfs/dbraw/zinc/72/82/47/946728247.db2.gz MZVJCTOVKOFLES-LSDHHAIUSA-N -1 3 388.476 0.975 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ncccc1-c1nn[n-]n1)C(C)C)C(C)C ZINC001573535990 946728253 /nfs/dbraw/zinc/72/82/53/946728253.db2.gz MZVJCTOVKOFLES-LSDHHAIUSA-N -1 3 388.476 0.975 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1ncccc1-c1nnn[n-]1)C(C)C ZINC001573536027 946730644 /nfs/dbraw/zinc/73/06/44/946730644.db2.gz OFKCOVCRIWOQRZ-DZGCQCFKSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN1c1ncccc1-c1nn[n-]n1)C(C)C ZINC001573536027 946730661 /nfs/dbraw/zinc/73/06/61/946730661.db2.gz OFKCOVCRIWOQRZ-DZGCQCFKSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1)C(C)C ZINC001573536173 946732440 /nfs/dbraw/zinc/73/24/40/946732440.db2.gz RAPUUEAHEQYCMI-OAHLLOKOSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1)C(C)C ZINC001573536173 946732447 /nfs/dbraw/zinc/73/24/47/946732447.db2.gz RAPUUEAHEQYCMI-OAHLLOKOSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573536319 946732683 /nfs/dbraw/zinc/73/26/83/946732683.db2.gz SPOYXDOTUMBZIC-MEDUHNTESA-N -1 3 388.476 0.672 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573536319 946732690 /nfs/dbraw/zinc/73/26/90/946732690.db2.gz SPOYXDOTUMBZIC-MEDUHNTESA-N -1 3 388.476 0.672 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536149 946733152 /nfs/dbraw/zinc/73/31/52/946733152.db2.gz QDAIENUHCAKMCK-QMTHXVAHSA-N -1 3 392.439 0.726 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536149 946733156 /nfs/dbraw/zinc/73/31/56/946733156.db2.gz QDAIENUHCAKMCK-QMTHXVAHSA-N -1 3 392.439 0.726 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536597 946737008 /nfs/dbraw/zinc/73/70/08/946737008.db2.gz YMEGRKHJCFCUJJ-IINYFYTJSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536597 946737010 /nfs/dbraw/zinc/73/70/10/946737010.db2.gz YMEGRKHJCFCUJJ-IINYFYTJSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573536827 946742150 /nfs/dbraw/zinc/74/21/50/946742150.db2.gz FLCBXFBAAMHJPY-GOEBONIOSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573536827 946742157 /nfs/dbraw/zinc/74/21/57/946742157.db2.gz FLCBXFBAAMHJPY-GOEBONIOSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536842 946742604 /nfs/dbraw/zinc/74/26/04/946742604.db2.gz FNDFNRMWFLUFFK-QMTHXVAHSA-N -1 3 392.439 0.820 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536842 946742607 /nfs/dbraw/zinc/74/26/07/946742607.db2.gz FNDFNRMWFLUFFK-QMTHXVAHSA-N -1 3 392.439 0.820 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573537501 946750069 /nfs/dbraw/zinc/75/00/69/946750069.db2.gz DPHQZIIDMFZGRC-YDHLFZDLSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573537501 946750077 /nfs/dbraw/zinc/75/00/77/946750077.db2.gz DPHQZIIDMFZGRC-YDHLFZDLSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573537586 946752360 /nfs/dbraw/zinc/75/23/60/946752360.db2.gz GBEDMAQTLFTZCP-ZFWWWQNUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573537586 946752368 /nfs/dbraw/zinc/75/23/68/946752368.db2.gz GBEDMAQTLFTZCP-ZFWWWQNUSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573537646 946755343 /nfs/dbraw/zinc/75/53/43/946755343.db2.gz IDUPVORZOFGFNQ-HZMBPMFUSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573537646 946755352 /nfs/dbraw/zinc/75/53/52/946755352.db2.gz IDUPVORZOFGFNQ-HZMBPMFUSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573537668 946755976 /nfs/dbraw/zinc/75/59/76/946755976.db2.gz IUBIYDWBQQMSNH-GJZGRUSLSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573537668 946755990 /nfs/dbraw/zinc/75/59/90/946755990.db2.gz IUBIYDWBQQMSNH-GJZGRUSLSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573537647 946756104 /nfs/dbraw/zinc/75/61/04/946756104.db2.gz IDUPVORZOFGFNQ-YGRLFVJLSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573537647 946756115 /nfs/dbraw/zinc/75/61/15/946756115.db2.gz IDUPVORZOFGFNQ-YGRLFVJLSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573537723 946758227 /nfs/dbraw/zinc/75/82/27/946758227.db2.gz RHVNLZXEUBDALK-GDBMZVCRSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573537723 946758232 /nfs/dbraw/zinc/75/82/32/946758232.db2.gz RHVNLZXEUBDALK-GDBMZVCRSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573538063 946762045 /nfs/dbraw/zinc/76/20/45/946762045.db2.gz VLBYXZTUSSXOEM-CQSZACIVSA-N -1 3 392.439 0.456 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573538063 946762056 /nfs/dbraw/zinc/76/20/56/946762056.db2.gz VLBYXZTUSSXOEM-CQSZACIVSA-N -1 3 392.439 0.456 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573538236 946765108 /nfs/dbraw/zinc/76/51/08/946765108.db2.gz QNNLEBJBPBVDOK-DOMZBBRYSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573538236 946765111 /nfs/dbraw/zinc/76/51/11/946765111.db2.gz QNNLEBJBPBVDOK-DOMZBBRYSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573538541 946769895 /nfs/dbraw/zinc/76/98/95/946769895.db2.gz WHVKZROKOWNJOD-AWFCHZOYSA-N -1 3 386.460 0.897 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573538541 946769902 /nfs/dbraw/zinc/76/99/02/946769902.db2.gz WHVKZROKOWNJOD-AWFCHZOYSA-N -1 3 386.460 0.897 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573541052 946783835 /nfs/dbraw/zinc/78/38/35/946783835.db2.gz NDAKXXAECFBNFR-XHDPSFHLSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573541052 946783845 /nfs/dbraw/zinc/78/38/45/946783845.db2.gz NDAKXXAECFBNFR-XHDPSFHLSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573541664 946787389 /nfs/dbraw/zinc/78/73/89/946787389.db2.gz VQNQAUCBGFLCFV-GXTWGEPZSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573541664 946787394 /nfs/dbraw/zinc/78/73/94/946787394.db2.gz VQNQAUCBGFLCFV-GXTWGEPZSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573541647 946787851 /nfs/dbraw/zinc/78/78/51/946787851.db2.gz USGBEMMTMAFPCL-CQSZACIVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573541647 946787853 /nfs/dbraw/zinc/78/78/53/946787853.db2.gz USGBEMMTMAFPCL-CQSZACIVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541596 946788738 /nfs/dbraw/zinc/78/87/38/946788738.db2.gz SJMMNDFVZZQTCE-XHDPSFHLSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541596 946788747 /nfs/dbraw/zinc/78/87/47/946788747.db2.gz SJMMNDFVZZQTCE-XHDPSFHLSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541594 946788896 /nfs/dbraw/zinc/78/88/96/946788896.db2.gz SJMMNDFVZZQTCE-IAQYHMDHSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541594 946788907 /nfs/dbraw/zinc/78/89/07/946788907.db2.gz SJMMNDFVZZQTCE-IAQYHMDHSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573541860 946790245 /nfs/dbraw/zinc/79/02/45/946790245.db2.gz WBFZFYQQVXVVEC-MLGOLLRUSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573541860 946790255 /nfs/dbraw/zinc/79/02/55/946790255.db2.gz WBFZFYQQVXVVEC-MLGOLLRUSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)Nc1cc(C(=O)N[C@@H](C)CNc2ncccc2-c2nnn[n-]2)ccn1 ZINC001573542335 946798396 /nfs/dbraw/zinc/79/83/96/946798396.db2.gz HDSXARNBPZHSOY-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cc(C(=O)N[C@@H](C)CNc2ncccc2-c2nn[n-]n2)ccn1 ZINC001573542335 946798406 /nfs/dbraw/zinc/79/84/06/946798406.db2.gz HDSXARNBPZHSOY-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)n2C)C1 ZINC001573542741 946800478 /nfs/dbraw/zinc/80/04/78/946800478.db2.gz OGEKASQWMAAUSZ-LLVKDONJSA-N -1 3 383.416 0.907 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2ncccc2-c2nnn[n-]2)nc1 ZINC001573547304 946833828 /nfs/dbraw/zinc/83/38/28/946833828.db2.gz JENRPLOGIMASAI-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)N[C@H](C)CNc2ncccc2-c2nn[n-]n2)nc1 ZINC001573547304 946833837 /nfs/dbraw/zinc/83/38/37/946833837.db2.gz JENRPLOGIMASAI-SNVBAGLBSA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)nc1 ZINC001573547479 946834814 /nfs/dbraw/zinc/83/48/14/946834814.db2.gz MGRILNWBNYXPAZ-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)nc1 ZINC001573547479 946834822 /nfs/dbraw/zinc/83/48/22/946834822.db2.gz MGRILNWBNYXPAZ-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM CC(=O)Nc1nc(CN[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cs1 ZINC001573548295 946851476 /nfs/dbraw/zinc/85/14/76/946851476.db2.gz HXNJAIUFVCAUOJ-QMMMGPOBSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CN[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cs1 ZINC001573548295 946851486 /nfs/dbraw/zinc/85/14/86/946851486.db2.gz HXNJAIUFVCAUOJ-QMMMGPOBSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573548548 946853126 /nfs/dbraw/zinc/85/31/26/946853126.db2.gz NWNVIYCPNVXUOY-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573548548 946853136 /nfs/dbraw/zinc/85/31/36/946853136.db2.gz NWNVIYCPNVXUOY-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cnns1 ZINC000824640092 946880166 /nfs/dbraw/zinc/88/01/66/946880166.db2.gz AFDKORCSQYSIPB-MRVPVSSYSA-N -1 3 395.426 0.128 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cnns1 ZINC000824640092 946880178 /nfs/dbraw/zinc/88/01/78/946880178.db2.gz AFDKORCSQYSIPB-MRVPVSSYSA-N -1 3 395.426 0.128 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCOCC1 ZINC000824640283 946880755 /nfs/dbraw/zinc/88/07/55/946880755.db2.gz FNQZOALUHOVQAO-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCOCC1 ZINC000824640283 946880767 /nfs/dbraw/zinc/88/07/67/946880767.db2.gz FNQZOALUHOVQAO-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM CC(C)[C@@H]1CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824635049 946882104 /nfs/dbraw/zinc/88/21/04/946882104.db2.gz YDERTDTULZCAIT-FZMZJTMJSA-N -1 3 378.458 0.790 20 0 GCADHM CC(C)[C@@H]1CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824635049 946882118 /nfs/dbraw/zinc/88/21/18/946882118.db2.gz YDERTDTULZCAIT-FZMZJTMJSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCCCCCO ZINC000824641360 946883948 /nfs/dbraw/zinc/88/39/48/946883948.db2.gz VAXPUBQQNDFSMP-GFCCVEGCSA-N -1 3 397.457 0.629 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCCCCCO ZINC000824641360 946883958 /nfs/dbraw/zinc/88/39/58/946883958.db2.gz VAXPUBQQNDFSMP-GFCCVEGCSA-N -1 3 397.457 0.629 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001573553664 946889545 /nfs/dbraw/zinc/88/95/45/946889545.db2.gz ZCXXAMFCNXPMTO-ZDUSSCGKSA-N -1 3 380.430 0.582 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)[C@@H](NS(C)(=O)=O)C(C)C ZINC001573553664 946889557 /nfs/dbraw/zinc/88/95/57/946889557.db2.gz ZCXXAMFCNXPMTO-ZDUSSCGKSA-N -1 3 380.430 0.582 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)O ZINC000824686325 946897473 /nfs/dbraw/zinc/89/74/73/946897473.db2.gz BKHYEGJQMWZWRY-WDEREUQCSA-N -1 3 376.417 0.868 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)O ZINC000824686325 946897491 /nfs/dbraw/zinc/89/74/91/946897491.db2.gz BKHYEGJQMWZWRY-WDEREUQCSA-N -1 3 376.417 0.868 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)O)cc1-c1nnn[n-]1 ZINC000824690022 946900726 /nfs/dbraw/zinc/90/07/26/946900726.db2.gz PGHXHECHQXLEIU-GHMZBOCLSA-N -1 3 376.417 0.868 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)O)cc1-c1nn[n-]n1 ZINC000824690022 946900731 /nfs/dbraw/zinc/90/07/31/946900731.db2.gz PGHXHECHQXLEIU-GHMZBOCLSA-N -1 3 376.417 0.868 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824747334 946923712 /nfs/dbraw/zinc/92/37/12/946923712.db2.gz ZZGRUUCVAKVYKM-RYUDHWBXSA-N -1 3 394.457 0.126 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000824747334 946923722 /nfs/dbraw/zinc/92/37/22/946923722.db2.gz ZZGRUUCVAKVYKM-RYUDHWBXSA-N -1 3 394.457 0.126 20 0 GCADHM CC(=O)c1cn(CC(=O)Nc2nc3c(cc2-c2nnn[n-]2)C[C@H](C)CC3)nn1 ZINC001573558259 946935361 /nfs/dbraw/zinc/93/53/61/946935361.db2.gz HSFBOJCCSZINKD-SECBINFHSA-N -1 3 381.400 0.819 20 0 GCADHM CC(=O)c1cn(CC(=O)Nc2nc3c(cc2-c2nn[n-]n2)C[C@H](C)CC3)nn1 ZINC001573558259 946935363 /nfs/dbraw/zinc/93/53/63/946935363.db2.gz HSFBOJCCSZINKD-SECBINFHSA-N -1 3 381.400 0.819 20 0 GCADHM CC(=O)c1cn(CC(=O)Nc2nc3c(cc2-c2nnn[n-]2)C[C@@H](C)CC3)nn1 ZINC001573558260 946935475 /nfs/dbraw/zinc/93/54/75/946935475.db2.gz HSFBOJCCSZINKD-VIFPVBQESA-N -1 3 381.400 0.819 20 0 GCADHM CC(=O)c1cn(CC(=O)Nc2nc3c(cc2-c2nn[n-]n2)C[C@@H](C)CC3)nn1 ZINC001573558260 946935478 /nfs/dbraw/zinc/93/54/78/946935478.db2.gz HSFBOJCCSZINKD-VIFPVBQESA-N -1 3 381.400 0.819 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000824808547 946939518 /nfs/dbraw/zinc/93/95/18/946939518.db2.gz VBHQIEFRNSIVLL-UHFFFAOYSA-N -1 3 397.483 0.816 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000824808547 946939529 /nfs/dbraw/zinc/93/95/29/946939529.db2.gz VBHQIEFRNSIVLL-UHFFFAOYSA-N -1 3 397.483 0.816 20 0 GCADHM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825119898 947085106 /nfs/dbraw/zinc/08/51/06/947085106.db2.gz GAAHWHMGOYMTJZ-CYBMUJFWSA-N -1 3 383.412 0.877 20 0 GCADHM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825119898 947085114 /nfs/dbraw/zinc/08/51/14/947085114.db2.gz GAAHWHMGOYMTJZ-CYBMUJFWSA-N -1 3 383.412 0.877 20 0 GCADHM CC[C@@]1(c2ccc(OC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)NC(=O)NC1=O ZINC000825176092 947110496 /nfs/dbraw/zinc/11/04/96/947110496.db2.gz FWCYZBIGBCNMSI-KRWDZBQOSA-N -1 3 381.352 0.859 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)Nc2ccc(C(=O)OC)cc2)c1-c1nnn[n-]1 ZINC000825565876 947228258 /nfs/dbraw/zinc/22/82/58/947228258.db2.gz ZJTQUJZULKPUEW-UHFFFAOYSA-N -1 3 399.367 0.665 20 0 GCADHM CCOC(=O)c1cnn(CC(=O)Nc2ccc(NC(C)=O)cc2)c1-c1nnn[n-]1 ZINC000825570934 947235027 /nfs/dbraw/zinc/23/50/27/947235027.db2.gz OPWMRDVLAKZLSK-UHFFFAOYSA-N -1 3 398.383 0.837 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC001573585189 947249107 /nfs/dbraw/zinc/24/91/07/947249107.db2.gz CVOHWIZKLASKCQ-RYUDHWBXSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H](C)C1CCOCC1 ZINC001573585189 947249121 /nfs/dbraw/zinc/24/91/21/947249121.db2.gz CVOHWIZKLASKCQ-RYUDHWBXSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573585865 947269784 /nfs/dbraw/zinc/26/97/84/947269784.db2.gz IZSXHVPVWIJCIN-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573585865 947269799 /nfs/dbraw/zinc/26/97/99/947269799.db2.gz IZSXHVPVWIJCIN-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000825662875 947278456 /nfs/dbraw/zinc/27/84/56/947278456.db2.gz CQAOEZVPTJJOBB-UHFFFAOYSA-N -1 3 390.473 0.765 20 0 GCADHM CCS(=O)(=O)N(C)C1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000825662875 947278463 /nfs/dbraw/zinc/27/84/63/947278463.db2.gz CQAOEZVPTJJOBB-UHFFFAOYSA-N -1 3 390.473 0.765 20 0 GCADHM CCc1nc(N)sc1C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000825750638 947315945 /nfs/dbraw/zinc/31/59/45/947315945.db2.gz VAXZEVBSAZODRD-UHFFFAOYSA-N -1 3 387.425 0.941 20 0 GCADHM CCc1nc(N)sc1C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000825750638 947315960 /nfs/dbraw/zinc/31/59/60/947315960.db2.gz VAXZEVBSAZODRD-UHFFFAOYSA-N -1 3 387.425 0.941 20 0 GCADHM CN(C)C(=O)NCCN(C)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825846152 947343905 /nfs/dbraw/zinc/34/39/05/947343905.db2.gz TYCVQVCIXZYRAO-OAHLLOKOSA-N -1 3 386.460 0.565 20 0 GCADHM CN(C)C(=O)CNC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000825839534 947344199 /nfs/dbraw/zinc/34/41/99/947344199.db2.gz JDDZKAXSIFLTEJ-UHFFFAOYSA-N -1 3 389.807 0.916 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573592754 947348453 /nfs/dbraw/zinc/34/84/53/947348453.db2.gz MNKYOMWZJWPMSA-MFKMUULPSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573592754 947348466 /nfs/dbraw/zinc/34/84/66/947348466.db2.gz MNKYOMWZJWPMSA-MFKMUULPSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573592750 947348953 /nfs/dbraw/zinc/34/89/53/947348953.db2.gz MNKYOMWZJWPMSA-GWCFXTLKSA-N -1 3 375.433 0.132 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573592750 947348960 /nfs/dbraw/zinc/34/89/60/947348960.db2.gz MNKYOMWZJWPMSA-GWCFXTLKSA-N -1 3 375.433 0.132 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)n(C)c1 ZINC000825875810 947356420 /nfs/dbraw/zinc/35/64/20/947356420.db2.gz YRBMZBXRAGMBMH-UHFFFAOYSA-N -1 3 393.404 0.847 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)n(C)c1 ZINC000825875810 947356434 /nfs/dbraw/zinc/35/64/34/947356434.db2.gz YRBMZBXRAGMBMH-UHFFFAOYSA-N -1 3 393.404 0.847 20 0 GCADHM CN(C)c1nccc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000825888607 947357874 /nfs/dbraw/zinc/35/78/74/947357874.db2.gz SNXNCXYZBHHYSA-UHFFFAOYSA-N -1 3 394.848 0.855 20 0 GCADHM CN(CC(=O)N1CCOCC1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825892111 947360711 /nfs/dbraw/zinc/36/07/11/947360711.db2.gz GEWQOEGPHRXJCU-MRXNPFEDSA-N -1 3 399.455 0.153 20 0 GCADHM CN(CC(=O)N1CCOCC1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825892111 947360723 /nfs/dbraw/zinc/36/07/23/947360723.db2.gz GEWQOEGPHRXJCU-MRXNPFEDSA-N -1 3 399.455 0.153 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573593899 947379309 /nfs/dbraw/zinc/37/93/09/947379309.db2.gz MRLTVYPUATWVOO-WFASDCNBSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573594061 947385344 /nfs/dbraw/zinc/38/53/44/947385344.db2.gz WZCIRHZFGGHSHE-JSGCOSHPSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573594093 947385530 /nfs/dbraw/zinc/38/55/30/947385530.db2.gz XIEWGBWYIUQHMZ-DGCLKSJQSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573594093 947385544 /nfs/dbraw/zinc/38/55/44/947385544.db2.gz XIEWGBWYIUQHMZ-DGCLKSJQSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@H](C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573594215 947388950 /nfs/dbraw/zinc/38/89/50/947388950.db2.gz OYVUWPDMXHPCKN-DOMZBBRYSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573594217 947389181 /nfs/dbraw/zinc/38/91/81/947389181.db2.gz OYVUWPDMXHPCKN-SWLSCSKDSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001573594336 947391263 /nfs/dbraw/zinc/39/12/63/947391263.db2.gz AEINDMWMEFNESO-QWRGUYRKSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001573594336 947391277 /nfs/dbraw/zinc/39/12/77/947391277.db2.gz AEINDMWMEFNESO-QWRGUYRKSA-N -1 3 387.400 0.141 20 0 GCADHM CN(Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825985791 947394978 /nfs/dbraw/zinc/39/49/78/947394978.db2.gz ADHGCJWFCADCOG-OAHLLOKOSA-N -1 3 387.469 0.886 20 0 GCADHM CN(Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825985791 947394988 /nfs/dbraw/zinc/39/49/88/947394988.db2.gz ADHGCJWFCADCOG-OAHLLOKOSA-N -1 3 387.469 0.886 20 0 GCADHM CN(Cc1ncc(Cl)n1C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825991896 947399874 /nfs/dbraw/zinc/39/98/74/947399874.db2.gz LDEDQDYYADGMEX-UHFFFAOYSA-N -1 3 392.782 0.990 20 0 GCADHM CN(Cc1ncc(Cl)n1C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825991896 947399885 /nfs/dbraw/zinc/39/98/85/947399885.db2.gz LDEDQDYYADGMEX-UHFFFAOYSA-N -1 3 392.782 0.990 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573594637 947404161 /nfs/dbraw/zinc/40/41/61/947404161.db2.gz BOJIOWHPFAAKIR-OCCSQVGLSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573594637 947404165 /nfs/dbraw/zinc/40/41/65/947404165.db2.gz BOJIOWHPFAAKIR-OCCSQVGLSA-N -1 3 392.485 0.333 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)C(=O)N(C)C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573594772 947405992 /nfs/dbraw/zinc/40/59/92/947405992.db2.gz SGCWJSLUCUSAAF-GFCCVEGCSA-N -1 3 376.465 0.454 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573594930 947411169 /nfs/dbraw/zinc/41/11/69/947411169.db2.gz UTUWSNLSVKSYPR-RYUDHWBXSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573594930 947411172 /nfs/dbraw/zinc/41/11/72/947411172.db2.gz UTUWSNLSVKSYPR-RYUDHWBXSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573595441 947419271 /nfs/dbraw/zinc/41/92/71/947419271.db2.gz GGABFALMOWLZLO-ZYHUDNBSSA-N -1 3 389.395 0.090 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573595441 947419279 /nfs/dbraw/zinc/41/92/79/947419279.db2.gz GGABFALMOWLZLO-ZYHUDNBSSA-N -1 3 389.395 0.090 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573595648 947423848 /nfs/dbraw/zinc/42/38/48/947423848.db2.gz ZJFXIZJMXQDLMN-OIKLOGQESA-N -1 3 379.446 0.096 20 0 GCADHM C[C@H](C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573595648 947423858 /nfs/dbraw/zinc/42/38/58/947423858.db2.gz ZJFXIZJMXQDLMN-OIKLOGQESA-N -1 3 379.446 0.096 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573595667 947424676 /nfs/dbraw/zinc/42/46/76/947424676.db2.gz HHNYEHRDYBTYNV-JQWIXIFHSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573595667 947424685 /nfs/dbraw/zinc/42/46/85/947424685.db2.gz HHNYEHRDYBTYNV-JQWIXIFHSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ncccc1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573597300 947434467 /nfs/dbraw/zinc/43/44/67/947434467.db2.gz NCZWIZOWGXJJDD-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)c1ncccc1-c1nn[n-]n1)[C@H]1CCC(=O)N1 ZINC001573597300 947434475 /nfs/dbraw/zinc/43/44/75/947434475.db2.gz NCZWIZOWGXJJDD-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(F)F ZINC001573597349 947437387 /nfs/dbraw/zinc/43/73/87/947437387.db2.gz NWTPUIIOOWQTRA-DTWKUNHWSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(F)F ZINC001573597349 947437394 /nfs/dbraw/zinc/43/73/94/947437394.db2.gz NWTPUIIOOWQTRA-DTWKUNHWSA-N -1 3 385.375 0.035 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573597818 947439150 /nfs/dbraw/zinc/43/91/50/947439150.db2.gz ORWJQLLOADYDFB-FZMZJTMJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573597818 947439158 /nfs/dbraw/zinc/43/91/58/947439158.db2.gz ORWJQLLOADYDFB-FZMZJTMJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573597923 947439176 /nfs/dbraw/zinc/43/91/76/947439176.db2.gz PKVTYUFWNPVLPE-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573597923 947439182 /nfs/dbraw/zinc/43/91/82/947439182.db2.gz PKVTYUFWNPVLPE-OCCSQVGLSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573597908 947440802 /nfs/dbraw/zinc/44/08/02/947440802.db2.gz PIMXQTYLUPXXGQ-WCQYABFASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573597908 947440813 /nfs/dbraw/zinc/44/08/13/947440813.db2.gz PIMXQTYLUPXXGQ-WCQYABFASA-N -1 3 389.460 0.570 20 0 GCADHM COC(=O)C1(O)CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000826129332 947443939 /nfs/dbraw/zinc/44/39/39/947443939.db2.gz PFMRHKUVNZJQIQ-JTQLQIEISA-N -1 3 392.416 0.403 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001573598757 947444583 /nfs/dbraw/zinc/44/45/83/947444583.db2.gz RFEVDHNLVBKBNT-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001573598757 947444588 /nfs/dbraw/zinc/44/45/88/947444588.db2.gz RFEVDHNLVBKBNT-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001573598760 947444954 /nfs/dbraw/zinc/44/49/54/947444954.db2.gz RFEVDHNLVBKBNT-WFASDCNBSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001573598760 947444958 /nfs/dbraw/zinc/44/49/58/947444958.db2.gz RFEVDHNLVBKBNT-WFASDCNBSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(C)(F)F ZINC001573598972 947447670 /nfs/dbraw/zinc/44/76/70/947447670.db2.gz SSPATMYXUXZLTP-PSASIEDQSA-N -1 3 387.366 0.923 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(C)(F)F ZINC001573598972 947447678 /nfs/dbraw/zinc/44/76/78/947447678.db2.gz SSPATMYXUXZLTP-PSASIEDQSA-N -1 3 387.366 0.923 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573599233 947452998 /nfs/dbraw/zinc/45/29/98/947452998.db2.gz WLBYOYPZIJWEGC-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573599233 947453004 /nfs/dbraw/zinc/45/30/04/947453004.db2.gz WLBYOYPZIJWEGC-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573599698 947460887 /nfs/dbraw/zinc/46/08/87/947460887.db2.gz ZQFINFKPRRWZSA-WFASDCNBSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)[C@@H]1CCCO1 ZINC001573602932 947473411 /nfs/dbraw/zinc/47/34/11/947473411.db2.gz BSTXJFDMOQPLIR-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)[C@@H]1CCCO1 ZINC001573602932 947473419 /nfs/dbraw/zinc/47/34/19/947473419.db2.gz BSTXJFDMOQPLIR-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)[C@H]1CCCO1 ZINC001573602931 947474171 /nfs/dbraw/zinc/47/41/71/947474171.db2.gz BSTXJFDMOQPLIR-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)[C@H]1CCCO1 ZINC001573602931 947474177 /nfs/dbraw/zinc/47/41/77/947474177.db2.gz BSTXJFDMOQPLIR-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM COC[C@@H](O)C(=O)OCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826151513 947479352 /nfs/dbraw/zinc/47/93/52/947479352.db2.gz CKRRDDCWVGMBBS-SNVBAGLBSA-N -1 3 395.441 0.686 20 0 GCADHM COC[C@@H](O)C(=O)OCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826151513 947479359 /nfs/dbraw/zinc/47/93/59/947479359.db2.gz CKRRDDCWVGMBBS-SNVBAGLBSA-N -1 3 395.441 0.686 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccn1 ZINC001573603212 947481604 /nfs/dbraw/zinc/48/16/04/947481604.db2.gz FAIWOQWYLGOZGJ-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccn1 ZINC001573603212 947481608 /nfs/dbraw/zinc/48/16/08/947481608.db2.gz FAIWOQWYLGOZGJ-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573603292 947481769 /nfs/dbraw/zinc/48/17/69/947481769.db2.gz JSWXNUYEXCTGNK-NSHDSACASA-N -1 3 375.433 0.446 20 0 GCADHM C[C@H](C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573603292 947481777 /nfs/dbraw/zinc/48/17/77/947481777.db2.gz JSWXNUYEXCTGNK-NSHDSACASA-N -1 3 375.433 0.446 20 0 GCADHM COCC[C@H](NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(N)=O ZINC000826154200 947485340 /nfs/dbraw/zinc/48/53/40/947485340.db2.gz KILGARODCDCRTG-AWEZNQCLSA-N -1 3 397.395 0.674 20 0 GCADHM COCC[C@H](NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(N)=O ZINC000826154200 947485348 /nfs/dbraw/zinc/48/53/48/947485348.db2.gz KILGARODCDCRTG-AWEZNQCLSA-N -1 3 397.395 0.674 20 0 GCADHM COCC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(N)=O ZINC000826153949 947486158 /nfs/dbraw/zinc/48/61/58/947486158.db2.gz DTYZQFQKPJOCDF-QMMMGPOBSA-N -1 3 385.331 0.480 20 0 GCADHM COCC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(N)=O ZINC000826153949 947486165 /nfs/dbraw/zinc/48/61/65/947486165.db2.gz DTYZQFQKPJOCDF-QMMMGPOBSA-N -1 3 385.331 0.480 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001573603604 947491685 /nfs/dbraw/zinc/49/16/85/947491685.db2.gz IKMZYRPYSXWBGW-GXTWGEPZSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001573603604 947491692 /nfs/dbraw/zinc/49/16/92/947491692.db2.gz IKMZYRPYSXWBGW-GXTWGEPZSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001573603607 947492985 /nfs/dbraw/zinc/49/29/85/947492985.db2.gz IKMZYRPYSXWBGW-TZMCWYRMSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001573603607 947492990 /nfs/dbraw/zinc/49/29/90/947492990.db2.gz IKMZYRPYSXWBGW-TZMCWYRMSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@H](C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCOCC1 ZINC001573603754 947496611 /nfs/dbraw/zinc/49/66/11/947496611.db2.gz PVIFMWDDSMSNFN-NSHDSACASA-N -1 3 375.433 0.446 20 0 GCADHM C[C@H](C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCOCC1 ZINC001573603754 947496620 /nfs/dbraw/zinc/49/66/20/947496620.db2.gz PVIFMWDDSMSNFN-NSHDSACASA-N -1 3 375.433 0.446 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)[C@H]1CCCO1 ZINC001573603797 947497142 /nfs/dbraw/zinc/49/71/42/947497142.db2.gz JWIMXJJRJIOVIK-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)[C@H]1CCCO1 ZINC001573603797 947497153 /nfs/dbraw/zinc/49/71/53/947497153.db2.gz JWIMXJJRJIOVIK-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM COCCN(C)C(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826158002 947497309 /nfs/dbraw/zinc/49/73/09/947497309.db2.gz VQVOJPONDCRYNT-UHFFFAOYSA-N -1 3 398.427 0.713 20 0 GCADHM COCCN(CC(=O)N(C)C)Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826157791 947498035 /nfs/dbraw/zinc/49/80/35/947498035.db2.gz MANOPSFVGOELBY-UHFFFAOYSA-N -1 3 398.471 0.804 20 0 GCADHM COCCN(CC(=O)N(C)C)Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826157791 947498042 /nfs/dbraw/zinc/49/80/42/947498042.db2.gz MANOPSFVGOELBY-UHFFFAOYSA-N -1 3 398.471 0.804 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001573603809 947499664 /nfs/dbraw/zinc/49/96/64/947499664.db2.gz KLMXOYRUWBOGNB-NSHDSACASA-N -1 3 387.400 0.142 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001573603809 947499671 /nfs/dbraw/zinc/49/96/71/947499671.db2.gz KLMXOYRUWBOGNB-NSHDSACASA-N -1 3 387.400 0.142 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)c(C)n1 ZINC000826163867 947514787 /nfs/dbraw/zinc/51/47/87/947514787.db2.gz PACMOFDFFVFRQT-UHFFFAOYSA-N -1 3 391.413 0.875 20 0 GCADHM COCCn1cc(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)c(C)n1 ZINC000826163867 947514797 /nfs/dbraw/zinc/51/47/97/947514797.db2.gz PACMOFDFFVFRQT-UHFFFAOYSA-N -1 3 391.413 0.875 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001573605094 947524430 /nfs/dbraw/zinc/52/44/30/947524430.db2.gz YJNCPLSOPYJWJT-FZMZJTMJSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001573605094 947524434 /nfs/dbraw/zinc/52/44/34/947524434.db2.gz YJNCPLSOPYJWJT-FZMZJTMJSA-N -1 3 375.433 0.540 20 0 GCADHM COc1c(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cccc1C(N)=O ZINC000826167295 947529717 /nfs/dbraw/zinc/52/97/17/947529717.db2.gz XMCUKYNEEIULTA-UHFFFAOYSA-N -1 3 395.379 0.229 20 0 GCADHM COc1c(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cccc1C(N)=O ZINC000826167295 947529728 /nfs/dbraw/zinc/52/97/28/947529728.db2.gz XMCUKYNEEIULTA-UHFFFAOYSA-N -1 3 395.379 0.229 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573605636 947531692 /nfs/dbraw/zinc/53/16/92/947531692.db2.gz XSUAREKPSQLIRQ-LBPRGKRZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573605636 947531699 /nfs/dbraw/zinc/53/16/99/947531699.db2.gz XSUAREKPSQLIRQ-LBPRGKRZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573605635 947532671 /nfs/dbraw/zinc/53/26/71/947532671.db2.gz XSUAREKPSQLIRQ-GFCCVEGCSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573605635 947532681 /nfs/dbraw/zinc/53/26/81/947532681.db2.gz XSUAREKPSQLIRQ-GFCCVEGCSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573606940 947536368 /nfs/dbraw/zinc/53/63/68/947536368.db2.gz AZTJGKQAKCFNDD-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573606940 947536377 /nfs/dbraw/zinc/53/63/77/947536377.db2.gz AZTJGKQAKCFNDD-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1Cn1nnnc1CNC(=O)OC(C)(C)C ZINC000826174008 947539495 /nfs/dbraw/zinc/53/94/95/947539495.db2.gz FLGBWFDEJZATLV-UHFFFAOYSA-N -1 3 387.404 0.935 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1Cn1nnnc1CNC(=O)OC(C)(C)C ZINC000826174008 947539507 /nfs/dbraw/zinc/53/95/07/947539507.db2.gz FLGBWFDEJZATLV-UHFFFAOYSA-N -1 3 387.404 0.935 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](CO)C1CCOCC1 ZINC000826175123 947541679 /nfs/dbraw/zinc/54/16/79/947541679.db2.gz ULYPNYSZAHBJKA-CYBMUJFWSA-N -1 3 377.401 0.158 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](CO)C1CCOCC1 ZINC000826175123 947541683 /nfs/dbraw/zinc/54/16/83/947541683.db2.gz ULYPNYSZAHBJKA-CYBMUJFWSA-N -1 3 377.401 0.158 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573607461 947548500 /nfs/dbraw/zinc/54/85/00/947548500.db2.gz NNRSQKICSVTYQC-NSHDSACASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573607461 947548507 /nfs/dbraw/zinc/54/85/07/947548507.db2.gz NNRSQKICSVTYQC-NSHDSACASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573607856 947554775 /nfs/dbraw/zinc/55/47/75/947554775.db2.gz SUHBAGIKTYFAMK-NSHDSACASA-N -1 3 380.412 0.582 20 0 GCADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573607856 947554781 /nfs/dbraw/zinc/55/47/81/947554781.db2.gz SUHBAGIKTYFAMK-NSHDSACASA-N -1 3 380.412 0.582 20 0 GCADHM COc1cc(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)ncn1 ZINC000826180370 947559544 /nfs/dbraw/zinc/55/95/44/947559544.db2.gz DXFZJTYFRINFSS-UHFFFAOYSA-N -1 3 382.388 0.414 20 0 GCADHM COc1cc(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)ncn1 ZINC000826180370 947559561 /nfs/dbraw/zinc/55/95/61/947559561.db2.gz DXFZJTYFRINFSS-UHFFFAOYSA-N -1 3 382.388 0.414 20 0 GCADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCCC1 ZINC001573613725 947568253 /nfs/dbraw/zinc/56/82/53/947568253.db2.gz HLYRJGVKKUSFFU-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCCC1 ZINC001573613725 947568261 /nfs/dbraw/zinc/56/82/61/947568261.db2.gz HLYRJGVKKUSFFU-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000826185274 947568566 /nfs/dbraw/zinc/56/85/66/947568566.db2.gz FTFLZOIYWOXDGS-CQSZACIVSA-N -1 3 388.428 0.727 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1([C@H](O)C(C)C)CC1 ZINC000826185274 947568576 /nfs/dbraw/zinc/56/85/76/947568576.db2.gz FTFLZOIYWOXDGS-CQSZACIVSA-N -1 3 388.428 0.727 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1ccc(CO)cc1 ZINC000826185487 947568601 /nfs/dbraw/zinc/56/86/01/947568601.db2.gz LGTJVNRFZRHNLC-UHFFFAOYSA-N -1 3 396.407 0.665 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1ccc(CO)cc1 ZINC000826185487 947568609 /nfs/dbraw/zinc/56/86/09/947568609.db2.gz LGTJVNRFZRHNLC-UHFFFAOYSA-N -1 3 396.407 0.665 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573614567 947588732 /nfs/dbraw/zinc/58/87/32/947588732.db2.gz MUZDNAZSGYHKCH-UPJWGTAASA-N -1 3 380.416 0.294 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573614567 947588739 /nfs/dbraw/zinc/58/87/39/947588739.db2.gz MUZDNAZSGYHKCH-UPJWGTAASA-N -1 3 380.416 0.294 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573614849 947594281 /nfs/dbraw/zinc/59/42/81/947594281.db2.gz AHXMTRZKBOACCA-PWSUYJOCSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573614849 947594288 /nfs/dbraw/zinc/59/42/88/947594288.db2.gz AHXMTRZKBOACCA-PWSUYJOCSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573615786 947613528 /nfs/dbraw/zinc/61/35/28/947613528.db2.gz KLXZEQLEQAYYOA-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573615786 947613538 /nfs/dbraw/zinc/61/35/38/947613538.db2.gz KLXZEQLEQAYYOA-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CCC(CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001573616515 947623846 /nfs/dbraw/zinc/62/38/46/947623846.db2.gz JDBCDLNAPMNJKW-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC(CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001573616515 947623856 /nfs/dbraw/zinc/62/38/56/947623856.db2.gz JDBCDLNAPMNJKW-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM COc1cccc2[nH]cc(CC(=O)OCCn3ncc(-c4nnn[n-]4)c3N)c21 ZINC000826217574 947638734 /nfs/dbraw/zinc/63/87/34/947638734.db2.gz SZLDUHNDNZAJGO-UHFFFAOYSA-N -1 3 382.384 0.921 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573617681 947638788 /nfs/dbraw/zinc/63/87/88/947638788.db2.gz MNHACCZABAUPFC-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573617681 947638793 /nfs/dbraw/zinc/63/87/93/947638793.db2.gz MNHACCZABAUPFC-JSGCOSHPSA-N -1 3 382.428 0.930 20 0 GCADHM COc1cccc2[nH]cc(CC(=O)OCCn3ncc(-c4nn[n-]n4)c3N)c21 ZINC000826217574 947638740 /nfs/dbraw/zinc/63/87/40/947638740.db2.gz SZLDUHNDNZAJGO-UHFFFAOYSA-N -1 3 382.384 0.921 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573617711 947640221 /nfs/dbraw/zinc/64/02/21/947640221.db2.gz MPUGOZDXNVPTMH-DOMZBBRYSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573617711 947640233 /nfs/dbraw/zinc/64/02/33/947640233.db2.gz MPUGOZDXNVPTMH-DOMZBBRYSA-N -1 3 381.444 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573617847 947640597 /nfs/dbraw/zinc/64/05/97/947640597.db2.gz PSZRGJXAMHVUGA-PIGZYNQJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573617847 947640603 /nfs/dbraw/zinc/64/06/03/947640603.db2.gz PSZRGJXAMHVUGA-PIGZYNQJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573617724 947640768 /nfs/dbraw/zinc/64/07/68/947640768.db2.gz MRJFNZYAXJOTGW-NEPJUHHUSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573617724 947640774 /nfs/dbraw/zinc/64/07/74/947640774.db2.gz MRJFNZYAXJOTGW-NEPJUHHUSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573617845 947641930 /nfs/dbraw/zinc/64/19/30/947641930.db2.gz PSZRGJXAMHVUGA-DIFFPNOSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573617845 947641934 /nfs/dbraw/zinc/64/19/34/947641934.db2.gz PSZRGJXAMHVUGA-DIFFPNOSSA-N -1 3 383.416 0.373 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC001573355377 947643646 /nfs/dbraw/zinc/64/36/46/947643646.db2.gz OMGPASVBGGTWQN-CYBMUJFWSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001573355377 947643653 /nfs/dbraw/zinc/64/36/53/947643653.db2.gz OMGPASVBGGTWQN-CYBMUJFWSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC001573355518 947643845 /nfs/dbraw/zinc/64/38/45/947643845.db2.gz QDDICTNJCJITRA-CQSZACIVSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC001573355518 947643852 /nfs/dbraw/zinc/64/38/52/947643852.db2.gz QDDICTNJCJITRA-CQSZACIVSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)cc1 ZINC001573356255 947647430 /nfs/dbraw/zinc/64/74/30/947647430.db2.gz VZXUGAVDQDUIGV-CVEARBPZSA-N -1 3 393.407 0.453 20 0 GCADHM C=Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)cc1 ZINC001573356255 947647439 /nfs/dbraw/zinc/64/74/39/947647439.db2.gz VZXUGAVDQDUIGV-CVEARBPZSA-N -1 3 393.407 0.453 20 0 GCADHM CS[C@H]1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1N(C)C ZINC000826227462 947667358 /nfs/dbraw/zinc/66/73/58/947667358.db2.gz RGUDSEUUORODBW-CABCVRRESA-N -1 3 396.542 0.618 20 0 GCADHM C[C@H]1CN(Cc2cn3ccccc3c2-c2nnn[n-]2)CCN1S(C)(=O)=O ZINC000826232508 947679969 /nfs/dbraw/zinc/67/99/69/947679969.db2.gz RTOMIKYVGWPABP-LBPRGKRZSA-N -1 3 375.458 0.585 20 0 GCADHM C[C@H]1CN(Cc2cn3ccccc3c2-c2nn[n-]n2)CCN1S(C)(=O)=O ZINC000826232508 947679974 /nfs/dbraw/zinc/67/99/74/947679974.db2.gz RTOMIKYVGWPABP-LBPRGKRZSA-N -1 3 375.458 0.585 20 0 GCADHM C[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCN1S(C)(=O)=O ZINC000826232552 947682204 /nfs/dbraw/zinc/68/22/04/947682204.db2.gz WBKUQTXVUMGPHW-NSHDSACASA-N -1 3 379.446 0.042 20 0 GCADHM C[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCN1S(C)(=O)=O ZINC000826232552 947682207 /nfs/dbraw/zinc/68/22/07/947682207.db2.gz WBKUQTXVUMGPHW-NSHDSACASA-N -1 3 379.446 0.042 20 0 GCADHM C/C(=C\C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573359357 947685988 /nfs/dbraw/zinc/68/59/88/947685988.db2.gz ZUEJHSACNLXSHT-DHZHZOJOSA-N -1 3 375.408 0.990 20 0 GCADHM C/C(=C\C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573359357 947685993 /nfs/dbraw/zinc/68/59/93/947685993.db2.gz ZUEJHSACNLXSHT-DHZHZOJOSA-N -1 3 375.408 0.990 20 0 GCADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cn2ncn(C)c2=O)c1-c1nnn[n-]1 ZINC000826234128 947686753 /nfs/dbraw/zinc/68/67/53/947686753.db2.gz JEFWVEISGUQGII-UHFFFAOYSA-N -1 3 393.411 0.808 20 0 GCADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)Cn2ncn(C)c2=O)c1-c1nn[n-]n1 ZINC000826234128 947686756 /nfs/dbraw/zinc/68/67/56/947686756.db2.gz JEFWVEISGUQGII-UHFFFAOYSA-N -1 3 393.411 0.808 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cncnc1 ZINC001573625625 947703130 /nfs/dbraw/zinc/70/31/30/947703130.db2.gz PRWPEEKBKQWHJI-ZWNOBZJWSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cncnc1 ZINC001573625625 947703137 /nfs/dbraw/zinc/70/31/37/947703137.db2.gz PRWPEEKBKQWHJI-ZWNOBZJWSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001573626365 947710314 /nfs/dbraw/zinc/71/03/14/947710314.db2.gz TZHDDJMDPZGOMK-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001573626365 947710321 /nfs/dbraw/zinc/71/03/21/947710321.db2.gz TZHDDJMDPZGOMK-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccnn1C ZINC001573627080 947716604 /nfs/dbraw/zinc/71/66/04/947716604.db2.gz YLNVUQWAWXHVKX-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccnn1C ZINC001573627080 947716606 /nfs/dbraw/zinc/71/66/06/947716606.db2.gz YLNVUQWAWXHVKX-PWSUYJOCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CCCCCC1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573627388 947721416 /nfs/dbraw/zinc/72/14/16/947721416.db2.gz APGFWYOXUZGBKI-CYBMUJFWSA-N -1 3 388.476 0.648 20 0 GCADHM C/C(=C\C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)C1CC1 ZINC001573364862 947725600 /nfs/dbraw/zinc/72/56/00/947725600.db2.gz RRJWQHVAFVPGIZ-WYMLVPIESA-N -1 3 382.472 0.856 20 0 GCADHM C/C(=C\C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)C1CC1 ZINC001573364862 947725605 /nfs/dbraw/zinc/72/56/05/947725605.db2.gz RRJWQHVAFVPGIZ-WYMLVPIESA-N -1 3 382.472 0.856 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000826253655 947730906 /nfs/dbraw/zinc/73/09/06/947730906.db2.gz YAGXNGOVWAUTKA-UHFFFAOYSA-N -1 3 384.396 0.987 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000826253655 947730911 /nfs/dbraw/zinc/73/09/11/947730911.db2.gz YAGXNGOVWAUTKA-UHFFFAOYSA-N -1 3 384.396 0.987 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573627680 947730982 /nfs/dbraw/zinc/73/09/82/947730982.db2.gz DSUCGNKEBDBFTK-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573627680 947730986 /nfs/dbraw/zinc/73/09/86/947730986.db2.gz DSUCGNKEBDBFTK-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573627681 947731771 /nfs/dbraw/zinc/73/17/71/947731771.db2.gz DSUCGNKEBDBFTK-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573627681 947731777 /nfs/dbraw/zinc/73/17/77/947731777.db2.gz DSUCGNKEBDBFTK-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573627858 947738639 /nfs/dbraw/zinc/73/86/39/947738639.db2.gz GDEUMEFAJCYSRC-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)c2nncn2C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258555 947746913 /nfs/dbraw/zinc/74/69/13/947746913.db2.gz OICDXFRNEXBDJU-LLVKDONJSA-N -1 3 378.400 0.980 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)c2nncn2C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258555 947746920 /nfs/dbraw/zinc/74/69/20/947746920.db2.gz OICDXFRNEXBDJU-LLVKDONJSA-N -1 3 378.400 0.980 20 0 GCADHM Cc1cc(C(=O)N2[C@@H]3CO[C@@H]4[C@H]2CO[C@H]34)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258590 947747128 /nfs/dbraw/zinc/74/71/28/947747128.db2.gz OZVKTJIKJYVEQF-KLHDSHLOSA-N -1 3 379.380 0.351 20 0 GCADHM Cc1cc(C(=O)N2[C@@H]3CO[C@@H]4[C@H]2CO[C@H]34)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258590 947747136 /nfs/dbraw/zinc/74/71/36/947747136.db2.gz OZVKTJIKJYVEQF-KLHDSHLOSA-N -1 3 379.380 0.351 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573628335 947752687 /nfs/dbraw/zinc/75/26/87/947752687.db2.gz GWBTUAICIXHPHG-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573628335 947752691 /nfs/dbraw/zinc/75/26/91/947752691.db2.gz GWBTUAICIXHPHG-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573628569 947760252 /nfs/dbraw/zinc/76/02/52/947760252.db2.gz ITDCVVYCMIQQCH-GXTWGEPZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573628569 947760259 /nfs/dbraw/zinc/76/02/59/947760259.db2.gz ITDCVVYCMIQQCH-GXTWGEPZSA-N -1 3 382.432 0.542 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573367905 947765065 /nfs/dbraw/zinc/76/50/65/947765065.db2.gz ISZXVGXJEHJNRW-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573367905 947765068 /nfs/dbraw/zinc/76/50/68/947765068.db2.gz ISZXVGXJEHJNRW-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573369894 947777724 /nfs/dbraw/zinc/77/77/24/947777724.db2.gz ZDCDQOXDTZTHHO-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573369894 947777729 /nfs/dbraw/zinc/77/77/29/947777729.db2.gz ZDCDQOXDTZTHHO-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573369839 947777921 /nfs/dbraw/zinc/77/79/21/947777921.db2.gz XVXFGUZFSVNYNL-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573369839 947777927 /nfs/dbraw/zinc/77/79/27/947777927.db2.gz XVXFGUZFSVNYNL-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573629384 947779685 /nfs/dbraw/zinc/77/96/85/947779685.db2.gz SJBVXHDYUNNPSP-GFCCVEGCSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573629384 947779695 /nfs/dbraw/zinc/77/96/95/947779695.db2.gz SJBVXHDYUNNPSP-GFCCVEGCSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573629470 947780208 /nfs/dbraw/zinc/78/02/08/947780208.db2.gz UIFBWHWBWVUDQC-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573629470 947780212 /nfs/dbraw/zinc/78/02/12/947780212.db2.gz UIFBWHWBWVUDQC-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573630249 947788935 /nfs/dbraw/zinc/78/89/35/947788935.db2.gz XAUHRMNRWZFHQV-ZYHUDNBSSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573630249 947788939 /nfs/dbraw/zinc/78/89/39/947788939.db2.gz XAUHRMNRWZFHQV-ZYHUDNBSSA-N -1 3 386.395 0.656 20 0 GCADHM C[C@H](C(=O)N1CCCCCC1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573630584 947793520 /nfs/dbraw/zinc/79/35/20/947793520.db2.gz ZBKZJTWSBNCNNQ-GFCCVEGCSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCCCCC1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573630584 947793524 /nfs/dbraw/zinc/79/35/24/947793524.db2.gz ZBKZJTWSBNCNNQ-GFCCVEGCSA-N -1 3 386.460 0.400 20 0 GCADHM CC(=O)CCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573373555 947795634 /nfs/dbraw/zinc/79/56/34/947795634.db2.gz DMBPQZZFVISSGR-GOSISDBHSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573373555 947795640 /nfs/dbraw/zinc/79/56/40/947795640.db2.gz DMBPQZZFVISSGR-GOSISDBHSA-N -1 3 387.444 0.469 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573630804 947797125 /nfs/dbraw/zinc/79/71/25/947797125.db2.gz SJTBIIVLVJWECR-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573630804 947797127 /nfs/dbraw/zinc/79/71/27/947797127.db2.gz SJTBIIVLVJWECR-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573630805 947797577 /nfs/dbraw/zinc/79/75/77/947797577.db2.gz SJTBIIVLVJWECR-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573630805 947797585 /nfs/dbraw/zinc/79/75/85/947797585.db2.gz SJTBIIVLVJWECR-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573631799 947805798 /nfs/dbraw/zinc/80/57/98/947805798.db2.gz WYCRUJAGIASZRB-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573631799 947805809 /nfs/dbraw/zinc/80/58/09/947805809.db2.gz WYCRUJAGIASZRB-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)CCCC(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573374607 947812533 /nfs/dbraw/zinc/81/25/33/947812533.db2.gz KKMIAKYZAFNLCN-GOSISDBHSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573374607 947812542 /nfs/dbraw/zinc/81/25/42/947812542.db2.gz KKMIAKYZAFNLCN-GOSISDBHSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573375126 947815462 /nfs/dbraw/zinc/81/54/62/947815462.db2.gz RDCOXVFGLRAHKO-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573375126 947815466 /nfs/dbraw/zinc/81/54/66/947815466.db2.gz RDCOXVFGLRAHKO-UHFFFAOYSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573375560 947821054 /nfs/dbraw/zinc/82/10/54/947821054.db2.gz RYSBMDOEQASLMO-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM CC(=O)CCCC(=O)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573375560 947821062 /nfs/dbraw/zinc/82/10/62/947821062.db2.gz RYSBMDOEQASLMO-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@H]1CCCO1 ZINC001573637724 947822634 /nfs/dbraw/zinc/82/26/34/947822634.db2.gz OHQLXJOVPQRUJY-IUODEOHRSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@H]1CCCO1 ZINC001573637724 947822645 /nfs/dbraw/zinc/82/26/45/947822645.db2.gz OHQLXJOVPQRUJY-IUODEOHRSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)c1cncnc1 ZINC001573638091 947833853 /nfs/dbraw/zinc/83/38/53/947833853.db2.gz CLZNOPADQVJIPJ-NSHDSACASA-N -1 3 381.400 0.073 20 0 GCADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cncnc1 ZINC001573638091 947833855 /nfs/dbraw/zinc/83/38/55/947833855.db2.gz CLZNOPADQVJIPJ-NSHDSACASA-N -1 3 381.400 0.073 20 0 GCADHM C[C@H](C(=O)N1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001573638132 947833962 /nfs/dbraw/zinc/83/39/62/947833962.db2.gz FOPNLXKVWCJRTP-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@H](C(=O)N1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001573638132 947833970 /nfs/dbraw/zinc/83/39/70/947833970.db2.gz FOPNLXKVWCJRTP-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@@H](C(=O)N1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001573638131 947834054 /nfs/dbraw/zinc/83/40/54/947834054.db2.gz FOPNLXKVWCJRTP-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@@H](C(=O)N1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001573638131 947834060 /nfs/dbraw/zinc/83/40/60/947834060.db2.gz FOPNLXKVWCJRTP-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@@H](C(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573638212 947836080 /nfs/dbraw/zinc/83/60/80/947836080.db2.gz JPRKWSDDYAQZBD-LBPRGKRZSA-N -1 3 385.407 0.503 20 0 GCADHM C[C@@H](C(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573638212 947836087 /nfs/dbraw/zinc/83/60/87/947836087.db2.gz JPRKWSDDYAQZBD-LBPRGKRZSA-N -1 3 385.407 0.503 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573376363 947836359 /nfs/dbraw/zinc/83/63/59/947836359.db2.gz VCVHRVYQFPJIQI-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573376363 947836364 /nfs/dbraw/zinc/83/63/64/947836364.db2.gz VCVHRVYQFPJIQI-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573376874 947844228 /nfs/dbraw/zinc/84/42/28/947844228.db2.gz ZUYMPJMNJFZFMV-AWEZNQCLSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573376874 947844238 /nfs/dbraw/zinc/84/42/38/947844238.db2.gz ZUYMPJMNJFZFMV-AWEZNQCLSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573376899 947844249 /nfs/dbraw/zinc/84/42/49/947844249.db2.gz DIKYCJFQTRYDCP-QWRGUYRKSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573376899 947844259 /nfs/dbraw/zinc/84/42/59/947844259.db2.gz DIKYCJFQTRYDCP-QWRGUYRKSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573376875 947844278 /nfs/dbraw/zinc/84/42/78/947844278.db2.gz ZUYMPJMNJFZFMV-CQSZACIVSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573376875 947844285 /nfs/dbraw/zinc/84/42/85/947844285.db2.gz ZUYMPJMNJFZFMV-CQSZACIVSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573377716 947850224 /nfs/dbraw/zinc/85/02/24/947850224.db2.gz RBPUIXOXBSOIFM-MNOVXSKESA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573377716 947850232 /nfs/dbraw/zinc/85/02/32/947850232.db2.gz RBPUIXOXBSOIFM-MNOVXSKESA-N -1 3 375.433 0.967 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573641074 947854178 /nfs/dbraw/zinc/85/41/78/947854178.db2.gz KQQXSMZPKBLQIL-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573641074 947854183 /nfs/dbraw/zinc/85/41/83/947854183.db2.gz KQQXSMZPKBLQIL-ZMZPIMSZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C1 ZINC001573378268 947854693 /nfs/dbraw/zinc/85/46/93/947854693.db2.gz XQHZCLPNQABXMC-BETUJISGSA-N -1 3 385.428 0.485 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C1 ZINC001573378268 947854700 /nfs/dbraw/zinc/85/47/00/947854700.db2.gz XQHZCLPNQABXMC-BETUJISGSA-N -1 3 385.428 0.485 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573380528 947860528 /nfs/dbraw/zinc/86/05/28/947860528.db2.gz DUGQSDSEXYJZQU-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573380528 947860533 /nfs/dbraw/zinc/86/05/33/947860533.db2.gz DUGQSDSEXYJZQU-JSGCOSHPSA-N -1 3 387.444 0.969 20 0 GCADHM Cc1cccc(NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)c1-c1nnn[n-]1 ZINC000826299255 947864356 /nfs/dbraw/zinc/86/43/56/947864356.db2.gz XNEIQCXQRCJABL-UHFFFAOYSA-N -1 3 390.367 0.728 20 0 GCADHM Cc1cccc(NC(=O)C(=O)Nc2cnn(-c3ncccn3)c2)c1-c1nn[n-]n1 ZINC000826299255 947864365 /nfs/dbraw/zinc/86/43/65/947864365.db2.gz XNEIQCXQRCJABL-UHFFFAOYSA-N -1 3 390.367 0.728 20 0 GCADHM CC(=O)CCCC(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573380870 947864955 /nfs/dbraw/zinc/86/49/55/947864955.db2.gz IVGCHPXAQBOZEL-UHFFFAOYSA-N -1 3 378.458 0.350 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(CCC(N)=O)CC2)c1-c1nnn[n-]1 ZINC000826299236 947866009 /nfs/dbraw/zinc/86/60/09/947866009.db2.gz WPHDRVJFRRHQRO-UHFFFAOYSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC(CCC(N)=O)CC2)c1-c1nn[n-]n1 ZINC000826299236 947866020 /nfs/dbraw/zinc/86/60/20/947866020.db2.gz WPHDRVJFRRHQRO-UHFFFAOYSA-N -1 3 385.428 0.618 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573643713 947867349 /nfs/dbraw/zinc/86/73/49/947867349.db2.gz WNWQZZDOIZBKCG-DGCLKSJQSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573643713 947867354 /nfs/dbraw/zinc/86/73/54/947867354.db2.gz WNWQZZDOIZBKCG-DGCLKSJQSA-N -1 3 389.460 0.834 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1O ZINC001573380975 947867622 /nfs/dbraw/zinc/86/76/22/947867622.db2.gz MBQJQBDKPGHLKN-CABCVRRESA-N -1 3 387.444 0.385 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001573380975 947867627 /nfs/dbraw/zinc/86/76/27/947867627.db2.gz MBQJQBDKPGHLKN-CABCVRRESA-N -1 3 387.444 0.385 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)c1cnn(C)c1 ZINC001573646268 947874805 /nfs/dbraw/zinc/87/48/05/947874805.db2.gz KSDAFTWYUDDFJH-GDZNZVCISA-N -1 3 393.455 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)c1cnn(C)c1 ZINC001573646268 947874811 /nfs/dbraw/zinc/87/48/11/947874811.db2.gz KSDAFTWYUDDFJH-GDZNZVCISA-N -1 3 393.455 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C)n1cccc1 ZINC001573646492 947876249 /nfs/dbraw/zinc/87/62/49/947876249.db2.gz OVRGPDZZZWTRBS-DYEKYZERSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C)n1cccc1 ZINC001573646492 947876254 /nfs/dbraw/zinc/87/62/54/947876254.db2.gz OVRGPDZZZWTRBS-DYEKYZERSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C)n1cccn1 ZINC001573646730 947877639 /nfs/dbraw/zinc/87/76/39/947877639.db2.gz RGJHWPCEEWJKDG-WZRBSPASSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C)n1cccn1 ZINC001573646730 947877646 /nfs/dbraw/zinc/87/76/46/947877646.db2.gz RGJHWPCEEWJKDG-WZRBSPASSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)n1cncn1 ZINC001573646768 947878598 /nfs/dbraw/zinc/87/85/98/947878598.db2.gz UHGKVVILTOAVRR-SLEUVZQESA-N -1 3 380.416 0.152 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)n1cncn1 ZINC001573646768 947878605 /nfs/dbraw/zinc/87/86/05/947878605.db2.gz UHGKVVILTOAVRR-SLEUVZQESA-N -1 3 380.416 0.152 20 0 GCADHM CC(=O)CCCC(=O)NCC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573382520 947886633 /nfs/dbraw/zinc/88/66/33/947886633.db2.gz HVLLIHNHANEIAY-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NCC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573382520 947886638 /nfs/dbraw/zinc/88/66/38/947886638.db2.gz HVLLIHNHANEIAY-CYBMUJFWSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001573383215 947890601 /nfs/dbraw/zinc/89/06/01/947890601.db2.gz QDHXUEFPVQPNHV-YPMHNXCESA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001573383215 947890614 /nfs/dbraw/zinc/89/06/14/947890614.db2.gz QDHXUEFPVQPNHV-YPMHNXCESA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001573383193 947890688 /nfs/dbraw/zinc/89/06/88/947890688.db2.gz PCQWQFJNBFDAIS-HZPDHXFCSA-N -1 3 390.419 0.426 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001573383193 947890697 /nfs/dbraw/zinc/89/06/97/947890697.db2.gz PCQWQFJNBFDAIS-HZPDHXFCSA-N -1 3 390.419 0.426 20 0 GCADHM C[C@H](C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21)n1cnc2c1ncnc2N ZINC001573647409 947891522 /nfs/dbraw/zinc/89/15/22/947891522.db2.gz KHNNZOWIRGKYNY-SECBINFHSA-N -1 3 376.384 0.739 20 0 GCADHM C[C@H](C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21)n1cnc2c1ncnc2N ZINC001573647409 947891529 /nfs/dbraw/zinc/89/15/29/947891529.db2.gz KHNNZOWIRGKYNY-SECBINFHSA-N -1 3 376.384 0.739 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573383516 947891914 /nfs/dbraw/zinc/89/19/14/947891914.db2.gz UVGIITWNCLBDBD-MRXNPFEDSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573383516 947891922 /nfs/dbraw/zinc/89/19/22/947891922.db2.gz UVGIITWNCLBDBD-MRXNPFEDSA-N -1 3 386.456 0.943 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@H](C)C1)n1cncn1 ZINC001573647594 947899702 /nfs/dbraw/zinc/89/97/02/947899702.db2.gz PTOQBELXPJKWIQ-FRRDWIJNSA-N -1 3 382.432 0.621 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)[C@H](C)C1)n1cncn1 ZINC001573647594 947899709 /nfs/dbraw/zinc/89/97/09/947899709.db2.gz PTOQBELXPJKWIQ-FRRDWIJNSA-N -1 3 382.432 0.621 20 0 GCADHM C[C@H]([C@@H](C)C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573648328 947907046 /nfs/dbraw/zinc/90/70/46/947907046.db2.gz YVKSZGJVOAMNRT-HTQZYQBOSA-N -1 3 384.487 0.464 20 0 GCADHM C[C@H]([C@@H](C)C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573648328 947907053 /nfs/dbraw/zinc/90/70/53/947907053.db2.gz YVKSZGJVOAMNRT-HTQZYQBOSA-N -1 3 384.487 0.464 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1)n1cccn1 ZINC001573651449 947919769 /nfs/dbraw/zinc/91/97/69/947919769.db2.gz LXVXAVYOIJUMCV-MCIONIFRSA-N -1 3 379.428 0.614 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1)n1cccn1 ZINC001573651449 947919777 /nfs/dbraw/zinc/91/97/77/947919777.db2.gz LXVXAVYOIJUMCV-MCIONIFRSA-N -1 3 379.428 0.614 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CCCN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573388674 947920343 /nfs/dbraw/zinc/92/03/43/947920343.db2.gz NPSNNGHHTJGRFD-UHFFFAOYSA-N -1 3 380.478 0.395 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573651637 947921984 /nfs/dbraw/zinc/92/19/84/947921984.db2.gz NQBYEWQOYNQCNJ-MIMYLULJSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573651637 947921989 /nfs/dbraw/zinc/92/19/89/947921989.db2.gz NQBYEWQOYNQCNJ-MIMYLULJSA-N -1 3 379.371 0.911 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001573651684 947923332 /nfs/dbraw/zinc/92/33/32/947923332.db2.gz OTBGXXJITBWUGZ-KIGUWFBYSA-N -1 3 381.396 0.778 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001573651684 947923337 /nfs/dbraw/zinc/92/33/37/947923337.db2.gz OTBGXXJITBWUGZ-KIGUWFBYSA-N -1 3 381.396 0.778 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573389992 947927254 /nfs/dbraw/zinc/92/72/54/947927254.db2.gz VSSDRZOUXJLHNQ-RISCZKNCSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573389992 947927262 /nfs/dbraw/zinc/92/72/62/947927262.db2.gz VSSDRZOUXJLHNQ-RISCZKNCSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573390698 947932451 /nfs/dbraw/zinc/93/24/51/947932451.db2.gz AHJGNOUJTMUVMA-UHFFFAOYSA-N -1 3 378.462 0.149 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573390924 947933599 /nfs/dbraw/zinc/93/35/99/947933599.db2.gz DREIHNQDULJJJV-LBPRGKRZSA-N -1 3 392.489 0.903 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1)n1cncn1 ZINC001573652256 947934096 /nfs/dbraw/zinc/93/40/96/947934096.db2.gz BWGOOJRFLYNMQG-TVQRCGJNSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](C(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1)n1cncn1 ZINC001573652256 947934098 /nfs/dbraw/zinc/93/40/98/947934098.db2.gz BWGOOJRFLYNMQG-TVQRCGJNSA-N -1 3 386.395 0.560 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573652385 947937627 /nfs/dbraw/zinc/93/76/27/947937627.db2.gz YOUZAMTVMMEDOB-UUIJZJDISA-N -1 3 380.412 0.444 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573652385 947937632 /nfs/dbraw/zinc/93/76/32/947937632.db2.gz YOUZAMTVMMEDOB-UUIJZJDISA-N -1 3 380.412 0.444 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573391795 947937960 /nfs/dbraw/zinc/93/79/60/947937960.db2.gz KVCNLAMBIMQYEB-LBPRGKRZSA-N -1 3 375.408 0.887 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573391795 947937965 /nfs/dbraw/zinc/93/79/65/947937965.db2.gz KVCNLAMBIMQYEB-LBPRGKRZSA-N -1 3 375.408 0.887 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573392056 947939641 /nfs/dbraw/zinc/93/96/41/947939641.db2.gz QCTQPHBRUXVYGZ-WFASDCNBSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573392056 947939645 /nfs/dbraw/zinc/93/96/45/947939645.db2.gz QCTQPHBRUXVYGZ-WFASDCNBSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573652521 947940520 /nfs/dbraw/zinc/94/05/20/947940520.db2.gz DAYDULJSABZLQL-NSHDSACASA-N -1 3 376.465 0.502 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001573392127 947941800 /nfs/dbraw/zinc/94/18/00/947941800.db2.gz SYFDSCCOEPQCQB-SWLSCSKDSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001573392127 947941803 /nfs/dbraw/zinc/94/18/03/947941803.db2.gz SYFDSCCOEPQCQB-SWLSCSKDSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573392196 947943595 /nfs/dbraw/zinc/94/35/95/947943595.db2.gz WAZVWSUMHGBMBL-LBPRGKRZSA-N -1 3 376.396 0.282 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573392196 947943603 /nfs/dbraw/zinc/94/36/03/947943603.db2.gz WAZVWSUMHGBMBL-LBPRGKRZSA-N -1 3 376.396 0.282 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573392187 947943774 /nfs/dbraw/zinc/94/37/74/947943774.db2.gz VWFZLOIRPXTBSU-LDYMZIIASA-N -1 3 378.462 0.369 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573652679 947945230 /nfs/dbraw/zinc/94/52/30/947945230.db2.gz GJVHAOSPQQTHAX-JQWIXIFHSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573652679 947945242 /nfs/dbraw/zinc/94/52/42/947945242.db2.gz GJVHAOSPQQTHAX-JQWIXIFHSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)[C@@H](C)C1 ZINC001573392376 947945867 /nfs/dbraw/zinc/94/58/67/947945867.db2.gz AEPFUIYNWJTUQO-XHDPSFHLSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)[C@@H](C)C1 ZINC001573392376 947945873 /nfs/dbraw/zinc/94/58/73/947945873.db2.gz AEPFUIYNWJTUQO-XHDPSFHLSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573392365 947947162 /nfs/dbraw/zinc/94/71/62/947947162.db2.gz ACYLOGKJVFCZNA-SWLSCSKDSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573392365 947947168 /nfs/dbraw/zinc/94/71/68/947947168.db2.gz ACYLOGKJVFCZNA-SWLSCSKDSA-N -1 3 386.460 0.779 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CC2)[nH]1 ZINC000826325967 947951533 /nfs/dbraw/zinc/95/15/33/947951533.db2.gz SVZDJDZCZBOSRG-UHFFFAOYSA-N -1 3 386.395 0.782 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573392882 947952099 /nfs/dbraw/zinc/95/20/99/947952099.db2.gz HKGQUZSOYSWOIG-UHFFFAOYSA-N -1 3 392.851 0.796 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573392882 947952104 /nfs/dbraw/zinc/95/21/04/947952104.db2.gz HKGQUZSOYSWOIG-UHFFFAOYSA-N -1 3 392.851 0.796 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573392859 947952249 /nfs/dbraw/zinc/95/22/49/947952249.db2.gz GTNIHOZVXJCOFQ-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573392859 947952253 /nfs/dbraw/zinc/95/22/53/947952253.db2.gz GTNIHOZVXJCOFQ-GFCCVEGCSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573392860 947953435 /nfs/dbraw/zinc/95/34/35/947953435.db2.gz GTNIHOZVXJCOFQ-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573392860 947953444 /nfs/dbraw/zinc/95/34/44/947953444.db2.gz GTNIHOZVXJCOFQ-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573393173 947954231 /nfs/dbraw/zinc/95/42/31/947954231.db2.gz KHGUSVVIXKLPRX-IUODEOHRSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573393173 947954234 /nfs/dbraw/zinc/95/42/34/947954234.db2.gz KHGUSVVIXKLPRX-IUODEOHRSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573393419 947956824 /nfs/dbraw/zinc/95/68/24/947956824.db2.gz MEQKQGPEUMBMLO-JQWIXIFHSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573393419 947956828 /nfs/dbraw/zinc/95/68/28/947956828.db2.gz MEQKQGPEUMBMLO-JQWIXIFHSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573393625 947959210 /nfs/dbraw/zinc/95/92/10/947959210.db2.gz OHAFDYMYGDGFNH-SWLSCSKDSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573393625 947959217 /nfs/dbraw/zinc/95/92/17/947959217.db2.gz OHAFDYMYGDGFNH-SWLSCSKDSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C[C@@H]1C ZINC001573393657 947959299 /nfs/dbraw/zinc/95/92/99/947959299.db2.gz OSBKGNROHFBAQW-CABZTGNLSA-N -1 3 392.489 0.901 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)[C@@H](C)C1 ZINC001573394381 947963099 /nfs/dbraw/zinc/96/30/99/947963099.db2.gz SQBGFOYBKBPBFV-GXTWGEPZSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)[C@@H](C)C1 ZINC001573394381 947963106 /nfs/dbraw/zinc/96/31/06/947963106.db2.gz SQBGFOYBKBPBFV-GXTWGEPZSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573394399 947964796 /nfs/dbraw/zinc/96/47/96/947964796.db2.gz SXEDQYPAHWDVMP-UHFFFAOYSA-N -1 3 386.460 0.841 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573394399 947964805 /nfs/dbraw/zinc/96/48/05/947964805.db2.gz SXEDQYPAHWDVMP-UHFFFAOYSA-N -1 3 386.460 0.841 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573654455 947964812 /nfs/dbraw/zinc/96/48/12/947964812.db2.gz RBWGTSQBZNDJLW-WCQYABFASA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573654455 947964821 /nfs/dbraw/zinc/96/48/21/947964821.db2.gz RBWGTSQBZNDJLW-WCQYABFASA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573394822 947969044 /nfs/dbraw/zinc/96/90/44/947969044.db2.gz WLXZXVNTRBDBCC-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573394822 947969049 /nfs/dbraw/zinc/96/90/49/947969049.db2.gz WLXZXVNTRBDBCC-LBPRGKRZSA-N -1 3 386.460 0.779 20 0 GCADHM Cc1nnc2n1CCN([C@@H]1CCCN(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000826337145 947971547 /nfs/dbraw/zinc/97/15/47/947971547.db2.gz DIYSOIBHIDRMJH-OAHLLOKOSA-N -1 3 379.428 0.778 20 0 GCADHM Cc1nnc2n1CCN([C@@H]1CCCN(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000826337145 947971551 /nfs/dbraw/zinc/97/15/51/947971551.db2.gz DIYSOIBHIDRMJH-OAHLLOKOSA-N -1 3 379.428 0.778 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573397585 947974622 /nfs/dbraw/zinc/97/46/22/947974622.db2.gz CGYJNUHEUIZMLP-INIZCTEOSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573397585 947974631 /nfs/dbraw/zinc/97/46/31/947974631.db2.gz CGYJNUHEUIZMLP-INIZCTEOSA-N -1 3 392.851 0.478 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@](C)(CNc1nc(C)ccc1-c1nnn[n-]1)C1CC1 ZINC001573397788 947974940 /nfs/dbraw/zinc/97/49/40/947974940.db2.gz DFRBOJGLYALCGM-GOSISDBHSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@](C)(CNc1nc(C)ccc1-c1nn[n-]n1)C1CC1 ZINC001573397788 947974943 /nfs/dbraw/zinc/97/49/43/947974943.db2.gz DFRBOJGLYALCGM-GOSISDBHSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2ncccc2-c2nnn[n-]2)CCCCC1 ZINC001573397828 947975708 /nfs/dbraw/zinc/97/57/08/947975708.db2.gz DQSMERILQKCNAK-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)N(C)CC(=O)NC1(CNc2ncccc2-c2nn[n-]n2)CCCCC1 ZINC001573397828 947975717 /nfs/dbraw/zinc/97/57/17/947975717.db2.gz DQSMERILQKCNAK-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573655248 947976889 /nfs/dbraw/zinc/97/68/89/947976889.db2.gz WRDMIDTWVRFOPL-WCQYABFASA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573655248 947976894 /nfs/dbraw/zinc/97/68/94/947976894.db2.gz WRDMIDTWVRFOPL-WCQYABFASA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573655414 947977313 /nfs/dbraw/zinc/97/73/13/947977313.db2.gz XHBUFYKZJGOYTJ-AAEUAGOBSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573655414 947977321 /nfs/dbraw/zinc/97/73/21/947977321.db2.gz XHBUFYKZJGOYTJ-AAEUAGOBSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573655792 947981327 /nfs/dbraw/zinc/98/13/27/947981327.db2.gz YVOKEGYLDWOQAY-VXGBXAGGSA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001573398536 947982826 /nfs/dbraw/zinc/98/28/26/947982826.db2.gz MEURINPYTNFEAR-YDHLFZDLSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001573398536 947982830 /nfs/dbraw/zinc/98/28/30/947982830.db2.gz MEURINPYTNFEAR-YDHLFZDLSA-N -1 3 384.444 0.214 20 0 GCADHM C[C@H](C(=O)N[C@@]1(C)CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573655965 947983034 /nfs/dbraw/zinc/98/30/34/947983034.db2.gz AJKIXBDOUFPKEB-PXAZEXFGSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573655966 947983937 /nfs/dbraw/zinc/98/39/37/947983937.db2.gz AJKIXBDOUFPKEB-SJCJKPOMSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573398791 947985673 /nfs/dbraw/zinc/98/56/73/947985673.db2.gz PCEHPVCEOCYFBC-RYUDHWBXSA-N -1 3 375.458 0.192 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)s1 ZINC001573398791 947985680 /nfs/dbraw/zinc/98/56/80/947985680.db2.gz PCEHPVCEOCYFBC-RYUDHWBXSA-N -1 3 375.458 0.192 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573398802 947986729 /nfs/dbraw/zinc/98/67/29/947986729.db2.gz PIMIOPBGGHKMIB-GJZGRUSLSA-N -1 3 387.419 0.269 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573398802 947986736 /nfs/dbraw/zinc/98/67/36/947986736.db2.gz PIMIOPBGGHKMIB-GJZGRUSLSA-N -1 3 387.419 0.269 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573399252 947990355 /nfs/dbraw/zinc/99/03/55/947990355.db2.gz ULQBFGWJJIYUNB-HNNXBMFYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573399252 947990360 /nfs/dbraw/zinc/99/03/60/947990360.db2.gz ULQBFGWJJIYUNB-HNNXBMFYSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573656805 947993360 /nfs/dbraw/zinc/99/33/60/947993360.db2.gz IFFDGFCIZJATAG-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573656805 947993367 /nfs/dbraw/zinc/99/33/67/947993367.db2.gz IFFDGFCIZJATAG-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573399645 947993758 /nfs/dbraw/zinc/99/37/58/947993758.db2.gz YCLBJQUXPJGJSM-UONOGXRCSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573399645 947993763 /nfs/dbraw/zinc/99/37/63/947993763.db2.gz YCLBJQUXPJGJSM-UONOGXRCSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573401301 947995660 /nfs/dbraw/zinc/99/56/60/947995660.db2.gz AYEJOYYZCDUPJI-CYBMUJFWSA-N -1 3 378.412 0.432 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573401301 947995668 /nfs/dbraw/zinc/99/56/68/947995668.db2.gz AYEJOYYZCDUPJI-CYBMUJFWSA-N -1 3 378.412 0.432 20 0 GCADHM C[C@H](C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573657042 947997479 /nfs/dbraw/zinc/99/74/79/947997479.db2.gz JWZCVJYGXMMWJS-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573657042 947997490 /nfs/dbraw/zinc/99/74/90/947997490.db2.gz JWZCVJYGXMMWJS-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573657136 947998195 /nfs/dbraw/zinc/99/81/95/947998195.db2.gz LELFLERTSDGZME-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573657136 947998198 /nfs/dbraw/zinc/99/81/98/947998198.db2.gz LELFLERTSDGZME-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cncnc1 ZINC001573657310 947998893 /nfs/dbraw/zinc/99/88/93/947998893.db2.gz LSABYUSEFBQWAS-JTQLQIEISA-N -1 3 381.400 0.167 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cncnc1 ZINC001573657310 947998899 /nfs/dbraw/zinc/99/88/99/947998899.db2.gz LSABYUSEFBQWAS-JTQLQIEISA-N -1 3 381.400 0.167 20 0 GCADHM Cc1onc(CC(=O)N2CCN(CCOc3ccccc3)CC2)c1-c1nnn[n-]1 ZINC000826344240 948003695 /nfs/dbraw/zinc/00/36/95/948003695.db2.gz BGMZXGHJFOONLH-UHFFFAOYSA-N -1 3 397.439 0.929 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@]1(C)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573402477 948004154 /nfs/dbraw/zinc/00/41/54/948004154.db2.gz HANVISKMAALRON-SFHVURJKSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@]1(C)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573402477 948004158 /nfs/dbraw/zinc/00/41/58/948004158.db2.gz HANVISKMAALRON-SFHVURJKSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573402780 948004350 /nfs/dbraw/zinc/00/43/50/948004350.db2.gz IEPPYCHHFZYIRR-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573402780 948004355 /nfs/dbraw/zinc/00/43/55/948004355.db2.gz IEPPYCHHFZYIRR-OCCSQVGLSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1)C1CC1 ZINC001573658110 948006935 /nfs/dbraw/zinc/00/69/35/948006935.db2.gz QKEKLTXUMDSDIV-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1)C1CC1 ZINC001573658110 948006941 /nfs/dbraw/zinc/00/69/41/948006941.db2.gz QKEKLTXUMDSDIV-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573658623 948008704 /nfs/dbraw/zinc/00/87/04/948008704.db2.gz SOSFOPVSVLSXCW-YVEFUNNKSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573658664 948012762 /nfs/dbraw/zinc/01/27/62/948012762.db2.gz STBONJAIHWNHMN-SGTLLEGYSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573658664 948012768 /nfs/dbraw/zinc/01/27/68/948012768.db2.gz STBONJAIHWNHMN-SGTLLEGYSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573403728 948013032 /nfs/dbraw/zinc/01/30/32/948013032.db2.gz NZXCLPYTYZMFAM-CABZTGNLSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573403805 948013292 /nfs/dbraw/zinc/01/32/92/948013292.db2.gz OOICVSSOBXFKIV-SECBINFHSA-N -1 3 380.840 0.558 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573403805 948013300 /nfs/dbraw/zinc/01/33/00/948013300.db2.gz OOICVSSOBXFKIV-SECBINFHSA-N -1 3 380.840 0.558 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001573404094 948015016 /nfs/dbraw/zinc/01/50/16/948015016.db2.gz PTTFOWGMTDOGIQ-BXUZGUMPSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001573404094 948015023 /nfs/dbraw/zinc/01/50/23/948015023.db2.gz PTTFOWGMTDOGIQ-BXUZGUMPSA-N -1 3 389.435 0.958 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573659592 948015319 /nfs/dbraw/zinc/01/53/19/948015319.db2.gz WUGAZBIDCITBHQ-KPZWWZAWSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573659592 948015327 /nfs/dbraw/zinc/01/53/27/948015327.db2.gz WUGAZBIDCITBHQ-KPZWWZAWSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC001573404097 948015365 /nfs/dbraw/zinc/01/53/65/948015365.db2.gz PTTFOWGMTDOGIQ-SMDDNHRTSA-N -1 3 389.435 0.958 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC001573404097 948015371 /nfs/dbraw/zinc/01/53/71/948015371.db2.gz PTTFOWGMTDOGIQ-SMDDNHRTSA-N -1 3 389.435 0.958 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)[C@H]1CCCO1 ZINC001573659612 948016143 /nfs/dbraw/zinc/01/61/43/948016143.db2.gz WVMXNXCFGSHPKS-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)[C@H]1CCCO1 ZINC001573659612 948016150 /nfs/dbraw/zinc/01/61/50/948016150.db2.gz WVMXNXCFGSHPKS-BXUZGUMPSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CC1(C)C ZINC001573404105 948016327 /nfs/dbraw/zinc/01/63/27/948016327.db2.gz PTZVBYGVGWNAQN-ZDUSSCGKSA-N -1 3 390.423 0.210 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CC1(C)C ZINC001573404105 948016333 /nfs/dbraw/zinc/01/63/33/948016333.db2.gz PTZVBYGVGWNAQN-ZDUSSCGKSA-N -1 3 390.423 0.210 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573404345 948022369 /nfs/dbraw/zinc/02/23/69/948022369.db2.gz SEAQXHSJLCGVLF-ZWNOBZJWSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](C)N(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573404345 948022378 /nfs/dbraw/zinc/02/23/78/948022378.db2.gz SEAQXHSJLCGVLF-ZWNOBZJWSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404406 948023628 /nfs/dbraw/zinc/02/36/28/948023628.db2.gz CVUCDIAGBNCERQ-LLVKDONJSA-N -1 3 378.462 0.052 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573662338 948024141 /nfs/dbraw/zinc/02/41/41/948024141.db2.gz BQQOFIMNGVOVHR-AETLKFDBSA-N -1 3 384.444 0.197 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573404526 948025724 /nfs/dbraw/zinc/02/57/24/948025724.db2.gz UGMFOPMWABPZKJ-GOSISDBHSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573404526 948025733 /nfs/dbraw/zinc/02/57/33/948025733.db2.gz UGMFOPMWABPZKJ-GOSISDBHSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)[C@H]1C ZINC001573404585 948028007 /nfs/dbraw/zinc/02/80/07/948028007.db2.gz VHQWESHOINJSDH-HZMBPMFUSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)[C@H]1C ZINC001573404585 948028017 /nfs/dbraw/zinc/02/80/17/948028017.db2.gz VHQWESHOINJSDH-HZMBPMFUSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573404747 948031711 /nfs/dbraw/zinc/03/17/11/948031711.db2.gz VOLRDHHMKDQNHQ-ZIAGYGMSSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573404747 948031718 /nfs/dbraw/zinc/03/17/18/948031718.db2.gz VOLRDHHMKDQNHQ-ZIAGYGMSSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573404829 948033308 /nfs/dbraw/zinc/03/33/08/948033308.db2.gz WTOWQXXAIFZTJH-ZFWWWQNUSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573404829 948033316 /nfs/dbraw/zinc/03/33/16/948033316.db2.gz WTOWQXXAIFZTJH-ZFWWWQNUSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573404825 948033494 /nfs/dbraw/zinc/03/34/94/948033494.db2.gz WTOWQXXAIFZTJH-HIFRSBDPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573404825 948033500 /nfs/dbraw/zinc/03/35/00/948033500.db2.gz WTOWQXXAIFZTJH-HIFRSBDPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573404971 948035670 /nfs/dbraw/zinc/03/56/70/948035670.db2.gz MLRCPQNNEHJWAX-CYBMUJFWSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573404971 948035677 /nfs/dbraw/zinc/03/56/77/948035677.db2.gz MLRCPQNNEHJWAX-CYBMUJFWSA-N -1 3 389.435 0.817 20 0 GCADHM Cc1onc(CC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c1-c1nnn[n-]1 ZINC000826346124 948036088 /nfs/dbraw/zinc/03/60/88/948036088.db2.gz CYAZJLBXRJIPOE-JSGCOSHPSA-N -1 3 375.433 0.465 20 0 GCADHM Cc1onc(CC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c1-c1nn[n-]n1 ZINC000826346124 948036097 /nfs/dbraw/zinc/03/60/97/948036097.db2.gz CYAZJLBXRJIPOE-JSGCOSHPSA-N -1 3 375.433 0.465 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573405142 948036934 /nfs/dbraw/zinc/03/69/34/948036934.db2.gz YWGQKDHWNZVUNF-UKRRQHHQSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573405142 948036940 /nfs/dbraw/zinc/03/69/40/948036940.db2.gz YWGQKDHWNZVUNF-UKRRQHHQSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@H](C(=O)NC1CC(CNc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573663717 948038925 /nfs/dbraw/zinc/03/89/25/948038925.db2.gz OVBYPNXVRCDZEF-KPPDAEKUSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC1CC(CNc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573663717 948038930 /nfs/dbraw/zinc/03/89/30/948038930.db2.gz OVBYPNXVRCDZEF-KPPDAEKUSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2Cl)CCC1 ZINC001573405242 948040706 /nfs/dbraw/zinc/04/07/06/948040706.db2.gz NIILYPLRXSJEOS-UHFFFAOYSA-N -1 3 392.851 0.844 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2Cl)CCC1 ZINC001573405242 948040716 /nfs/dbraw/zinc/04/07/16/948040716.db2.gz NIILYPLRXSJEOS-UHFFFAOYSA-N -1 3 392.851 0.844 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573664035 948046213 /nfs/dbraw/zinc/04/62/13/948046213.db2.gz REGZWYNIVAYFMB-UEKVPHQBSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573664035 948046223 /nfs/dbraw/zinc/04/62/23/948046223.db2.gz REGZWYNIVAYFMB-UEKVPHQBSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573664219 948050318 /nfs/dbraw/zinc/05/03/18/948050318.db2.gz CYZGOGORTRHKEI-RYUDHWBXSA-N -1 3 387.473 0.862 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001573406361 948050933 /nfs/dbraw/zinc/05/09/33/948050933.db2.gz BJKNGWQSVXFSKJ-TZMCWYRMSA-N -1 3 386.460 0.319 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001573406361 948050944 /nfs/dbraw/zinc/05/09/44/948050944.db2.gz BJKNGWQSVXFSKJ-TZMCWYRMSA-N -1 3 386.460 0.319 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573406362 948051091 /nfs/dbraw/zinc/05/10/91/948051091.db2.gz BJWNVPUOFPAUQB-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573406362 948051096 /nfs/dbraw/zinc/05/10/96/948051096.db2.gz BJWNVPUOFPAUQB-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573406524 948053336 /nfs/dbraw/zinc/05/33/36/948053336.db2.gz JAFGCVDVJDHTTB-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573406524 948053348 /nfs/dbraw/zinc/05/33/48/948053348.db2.gz JAFGCVDVJDHTTB-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1snc(C)c1-c1nnn[n-]1 ZINC001573406425 948053434 /nfs/dbraw/zinc/05/34/34/948053434.db2.gz HPTFKVONBINULJ-VXGBXAGGSA-N -1 3 392.489 0.949 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573664514 948054957 /nfs/dbraw/zinc/05/49/57/948054957.db2.gz FFHUXWPQLSXRDB-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573664514 948054967 /nfs/dbraw/zinc/05/49/67/948054967.db2.gz FFHUXWPQLSXRDB-QWHCGFSZSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573406596 948055385 /nfs/dbraw/zinc/05/53/85/948055385.db2.gz NEUHLTNMJAAVTF-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573406596 948055391 /nfs/dbraw/zinc/05/53/91/948055391.db2.gz NEUHLTNMJAAVTF-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573406766 948057472 /nfs/dbraw/zinc/05/74/72/948057472.db2.gz RORQFWAYKXBUQH-KLPPZKSPSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573406766 948057479 /nfs/dbraw/zinc/05/74/79/948057479.db2.gz RORQFWAYKXBUQH-KLPPZKSPSA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573406804 948057498 /nfs/dbraw/zinc/05/74/98/948057498.db2.gz UWVLDEWQWLZKSF-HUUCEWRRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573406804 948057507 /nfs/dbraw/zinc/05/75/07/948057507.db2.gz UWVLDEWQWLZKSF-HUUCEWRRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573406780 948057770 /nfs/dbraw/zinc/05/77/70/948057770.db2.gz SKFKSBJKDWXNTA-HAQNSBGRSA-N -1 3 392.489 0.949 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573406806 948059011 /nfs/dbraw/zinc/05/90/11/948059011.db2.gz UYHPFKRNAJRWQK-HDJSIYSDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573406806 948059017 /nfs/dbraw/zinc/05/90/17/948059017.db2.gz UYHPFKRNAJRWQK-HDJSIYSDSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573664703 948060858 /nfs/dbraw/zinc/06/08/58/948060858.db2.gz GJFPGJRRVAMLPC-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573664703 948060869 /nfs/dbraw/zinc/06/08/69/948060869.db2.gz GJFPGJRRVAMLPC-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573664997 948065077 /nfs/dbraw/zinc/06/50/77/948065077.db2.gz ZPOOYCKPQZBRGD-BMQDGWLCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573664997 948065088 /nfs/dbraw/zinc/06/50/88/948065088.db2.gz ZPOOYCKPQZBRGD-BMQDGWLCSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573409872 948076968 /nfs/dbraw/zinc/07/69/68/948076968.db2.gz XRHOZZFRNXCAIC-XYPYZODXSA-N -1 3 378.824 0.453 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573409872 948076955 /nfs/dbraw/zinc/07/69/55/948076955.db2.gz XRHOZZFRNXCAIC-XYPYZODXSA-N -1 3 378.824 0.453 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573409855 948077708 /nfs/dbraw/zinc/07/77/08/948077708.db2.gz XIRKAEPPENGIKR-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573409855 948077716 /nfs/dbraw/zinc/07/77/16/948077716.db2.gz XIRKAEPPENGIKR-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573665981 948078595 /nfs/dbraw/zinc/07/85/95/948078595.db2.gz ODBCBLQQFJMWFO-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573665981 948078600 /nfs/dbraw/zinc/07/86/00/948078600.db2.gz ODBCBLQQFJMWFO-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573665983 948078611 /nfs/dbraw/zinc/07/86/11/948078611.db2.gz ODBCBLQQFJMWFO-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573665983 948078617 /nfs/dbraw/zinc/07/86/17/948078617.db2.gz ODBCBLQQFJMWFO-ZWNOBZJWSA-N -1 3 383.416 0.063 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@H]2C)C1 ZINC001573413360 948079205 /nfs/dbraw/zinc/07/92/05/948079205.db2.gz CPCWJBIKMHFUPM-ABAIWWIYSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@H]2C)C1 ZINC001573413360 948079211 /nfs/dbraw/zinc/07/92/11/948079211.db2.gz CPCWJBIKMHFUPM-ABAIWWIYSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@@H](C)CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573414079 948088381 /nfs/dbraw/zinc/08/83/81/948088381.db2.gz HDICVGRWFBWCRU-VIFPVBQESA-N -1 3 392.851 0.652 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@@H](C)CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573414079 948088390 /nfs/dbraw/zinc/08/83/90/948088390.db2.gz HDICVGRWFBWCRU-VIFPVBQESA-N -1 3 392.851 0.652 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573666637 948090797 /nfs/dbraw/zinc/09/07/97/948090797.db2.gz USRPNAHNGYPTIX-SMDDNHRTSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573666637 948090803 /nfs/dbraw/zinc/09/08/03/948090803.db2.gz USRPNAHNGYPTIX-SMDDNHRTSA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001573414546 948094151 /nfs/dbraw/zinc/09/41/51/948094151.db2.gz OBEURVRPFRMLTQ-SMDDNHRTSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001573414546 948094161 /nfs/dbraw/zinc/09/41/61/948094161.db2.gz OBEURVRPFRMLTQ-SMDDNHRTSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@H](C)CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573414713 948096804 /nfs/dbraw/zinc/09/68/04/948096804.db2.gz OHCNJBJBLXSYAW-SNVBAGLBSA-N -1 3 375.408 0.743 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@H](C)CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573414713 948096813 /nfs/dbraw/zinc/09/68/13/948096813.db2.gz OHCNJBJBLXSYAW-SNVBAGLBSA-N -1 3 375.408 0.743 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573414828 948098895 /nfs/dbraw/zinc/09/88/95/948098895.db2.gz QFXYJEKPGAZYKG-SMDDNHRTSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573414828 948098901 /nfs/dbraw/zinc/09/89/01/948098901.db2.gz QFXYJEKPGAZYKG-SMDDNHRTSA-N -1 3 384.444 0.389 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)n1cncn1 ZINC001573670740 948103204 /nfs/dbraw/zinc/10/32/04/948103204.db2.gz DCWQMEBGXWELBB-BXUZGUMPSA-N -1 3 385.407 0.549 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573415216 948103455 /nfs/dbraw/zinc/10/34/55/948103455.db2.gz PDKWRQHXASNZIM-UHFFFAOYSA-N -1 3 387.419 0.127 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573415216 948103461 /nfs/dbraw/zinc/10/34/61/948103461.db2.gz PDKWRQHXASNZIM-UHFFFAOYSA-N -1 3 387.419 0.127 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1)[C@H]1CCC(=O)N1 ZINC001573671308 948105301 /nfs/dbraw/zinc/10/53/01/948105301.db2.gz DKCWBJJYWBAIGZ-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573671308 948105308 /nfs/dbraw/zinc/10/53/08/948105308.db2.gz DKCWBJJYWBAIGZ-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C[C@@H]2C)C1 ZINC001573415315 948105337 /nfs/dbraw/zinc/10/53/37/948105337.db2.gz XCRIYMUMOCLEPS-HZMBPMFUSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C[C@@H]2C)C1 ZINC001573415315 948105340 /nfs/dbraw/zinc/10/53/40/948105340.db2.gz XCRIYMUMOCLEPS-HZMBPMFUSA-N -1 3 384.444 0.450 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](N(C)c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573415314 948105883 /nfs/dbraw/zinc/10/58/83/948105883.db2.gz XBIUCGMCXXFLPY-CQSZACIVSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@@H](N(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573415314 948105889 /nfs/dbraw/zinc/10/58/89/948105889.db2.gz XBIUCGMCXXFLPY-CQSZACIVSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(C)(Nc3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573415337 948106665 /nfs/dbraw/zinc/10/66/65/948106665.db2.gz XRRHTZSPURIHNU-UHFFFAOYSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573415337 948106671 /nfs/dbraw/zinc/10/66/71/948106671.db2.gz XRRHTZSPURIHNU-UHFFFAOYSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573672119 948107470 /nfs/dbraw/zinc/10/74/70/948107470.db2.gz GTGSVSOWKPJFNW-VHSXEESVSA-N -1 3 384.487 0.052 20 0 GCADHM Cn1cc(C(=O)C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826358086 948112985 /nfs/dbraw/zinc/11/29/85/948112985.db2.gz DENGCYJXYUICQJ-AWEZNQCLSA-N -1 3 395.379 0.522 20 0 GCADHM Cn1cc(C(=O)C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826358086 948112989 /nfs/dbraw/zinc/11/29/89/948112989.db2.gz DENGCYJXYUICQJ-AWEZNQCLSA-N -1 3 395.379 0.522 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H](C)N(C)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573418158 948115881 /nfs/dbraw/zinc/11/58/81/948115881.db2.gz DQQAPDALJDKYQC-LLVKDONJSA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573418911 948119439 /nfs/dbraw/zinc/11/94/39/948119439.db2.gz HXLAQJWXRZUESI-LBPRGKRZSA-N -1 3 375.458 0.097 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573418924 948119872 /nfs/dbraw/zinc/11/98/72/948119872.db2.gz HXWTYDBAEQRBOG-VIFPVBQESA-N -1 3 392.851 0.334 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573418924 948119875 /nfs/dbraw/zinc/11/98/75/948119875.db2.gz HXWTYDBAEQRBOG-VIFPVBQESA-N -1 3 392.851 0.334 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C)C1 ZINC001573419410 948122585 /nfs/dbraw/zinc/12/25/85/948122585.db2.gz MGZGZDFZHJGHOY-CQSZACIVSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C)C1 ZINC001573419410 948122593 /nfs/dbraw/zinc/12/25/93/948122593.db2.gz MGZGZDFZHJGHOY-CQSZACIVSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573419488 948123525 /nfs/dbraw/zinc/12/35/25/948123525.db2.gz MTQNHIZKBKMFIV-VXGBXAGGSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573419488 948123529 /nfs/dbraw/zinc/12/35/29/948123529.db2.gz MTQNHIZKBKMFIV-VXGBXAGGSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573419483 948123632 /nfs/dbraw/zinc/12/36/32/948123632.db2.gz MTQNHIZKBKMFIV-NWDGAFQWSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573419483 948123638 /nfs/dbraw/zinc/12/36/38/948123638.db2.gz MTQNHIZKBKMFIV-NWDGAFQWSA-N -1 3 386.460 0.744 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(CCOc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000826360733 948125291 /nfs/dbraw/zinc/12/52/91/948125291.db2.gz VUQRRGSYMWACPM-ZDUSSCGKSA-N -1 3 381.396 0.597 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(CCOc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000826360733 948125296 /nfs/dbraw/zinc/12/52/96/948125296.db2.gz VUQRRGSYMWACPM-ZDUSSCGKSA-N -1 3 381.396 0.597 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)CN(C)Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573419715 948126936 /nfs/dbraw/zinc/12/69/36/948126936.db2.gz QBLYUGFLBYHFJN-LLVKDONJSA-N -1 3 389.435 0.421 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H](C)CN(C)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573419715 948126945 /nfs/dbraw/zinc/12/69/45/948126945.db2.gz QBLYUGFLBYHFJN-LLVKDONJSA-N -1 3 389.435 0.421 20 0 GCADHM Cn1cc(CN2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)nn1 ZINC000826361176 948129848 /nfs/dbraw/zinc/12/98/48/948129848.db2.gz OCXBMODBHCKCFH-UHFFFAOYSA-N -1 3 376.428 0.866 20 0 GCADHM Cn1cc(CN2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)nn1 ZINC000826361176 948129853 /nfs/dbraw/zinc/12/98/53/948129853.db2.gz OCXBMODBHCKCFH-UHFFFAOYSA-N -1 3 376.428 0.866 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573419923 948131273 /nfs/dbraw/zinc/13/12/73/948131273.db2.gz VVGGRZFGQZYATP-SECBINFHSA-N -1 3 392.851 0.558 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H](C)CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573419923 948131279 /nfs/dbraw/zinc/13/12/79/948131279.db2.gz VVGGRZFGQZYATP-SECBINFHSA-N -1 3 392.851 0.558 20 0 GCADHM Cn1cc(CN2CCN3C(=O)NC[C@H]3C2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361338 948131460 /nfs/dbraw/zinc/13/14/60/948131460.db2.gz UCOLXYDPUGMHIT-HNNXBMFYSA-N -1 3 379.428 0.477 20 0 GCADHM Cn1cc(CN2CCN3C(=O)NC[C@H]3C2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361338 948131465 /nfs/dbraw/zinc/13/14/65/948131465.db2.gz UCOLXYDPUGMHIT-HNNXBMFYSA-N -1 3 379.428 0.477 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573419959 948132561 /nfs/dbraw/zinc/13/25/61/948132561.db2.gz WPPIYWXGSIKFIC-UONOGXRCSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573419959 948132565 /nfs/dbraw/zinc/13/25/65/948132565.db2.gz WPPIYWXGSIKFIC-UONOGXRCSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@H]2CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573419955 948132953 /nfs/dbraw/zinc/13/29/53/948132953.db2.gz WOHBFHQIINWQRF-SWLSCSKDSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCC[C@H]2CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573419955 948132958 /nfs/dbraw/zinc/13/29/58/948132958.db2.gz WOHBFHQIINWQRF-SWLSCSKDSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H]2CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573419956 948132970 /nfs/dbraw/zinc/13/29/70/948132970.db2.gz WOHBFHQIINWQRF-WFASDCNBSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCC[C@H]2CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573419956 948132975 /nfs/dbraw/zinc/13/29/75/948132975.db2.gz WOHBFHQIINWQRF-WFASDCNBSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573420134 948134483 /nfs/dbraw/zinc/13/44/83/948134483.db2.gz YCAFAXGNGBGYQQ-IUCAKERBSA-N -1 3 392.851 0.699 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573420134 948134485 /nfs/dbraw/zinc/13/44/85/948134485.db2.gz YCAFAXGNGBGYQQ-IUCAKERBSA-N -1 3 392.851 0.699 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)[C@H](C)C2)C1 ZINC001573420234 948134723 /nfs/dbraw/zinc/13/47/23/948134723.db2.gz ZOISSFQJNPUXFW-IAQYHMDHSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)[C@H](C)C2)C1 ZINC001573420234 948134726 /nfs/dbraw/zinc/13/47/26/948134726.db2.gz ZOISSFQJNPUXFW-IAQYHMDHSA-N -1 3 384.444 0.214 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826364156 948139558 /nfs/dbraw/zinc/13/95/58/948139558.db2.gz MSGVQZCGXGFTQQ-HNNXBMFYSA-N -1 3 394.439 0.450 20 0 GCADHM Cn1ccnc1CN1CCC[C@H](NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826364156 948139565 /nfs/dbraw/zinc/13/95/65/948139565.db2.gz MSGVQZCGXGFTQQ-HNNXBMFYSA-N -1 3 394.439 0.450 20 0 GCADHM Cn1ccnc1[C@H](O)C1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826364031 948140214 /nfs/dbraw/zinc/14/02/14/948140214.db2.gz INQORXSFUKCEAT-QGZVFWFLSA-N -1 3 396.455 0.984 20 0 GCADHM Cn1ccnc1[C@H](O)C1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826364031 948140218 /nfs/dbraw/zinc/14/02/18/948140218.db2.gz INQORXSFUKCEAT-QGZVFWFLSA-N -1 3 396.455 0.984 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573421699 948140290 /nfs/dbraw/zinc/14/02/90/948140290.db2.gz HVIBITZYNMWBAN-ZDUSSCGKSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573421699 948140300 /nfs/dbraw/zinc/14/03/00/948140300.db2.gz HVIBITZYNMWBAN-ZDUSSCGKSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573422290 948141410 /nfs/dbraw/zinc/14/14/10/948141410.db2.gz JLPCDUYTZPCPOI-UHFFFAOYSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573422290 948141418 /nfs/dbraw/zinc/14/14/18/948141418.db2.gz JLPCDUYTZPCPOI-UHFFFAOYSA-N -1 3 384.444 0.073 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@H](C)Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573422276 948142408 /nfs/dbraw/zinc/14/24/08/948142408.db2.gz JLHRCFHIKAMKGB-VIFPVBQESA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N1CC(C(=O)NCC[C@H](C)Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573422276 948142414 /nfs/dbraw/zinc/14/24/14/948142414.db2.gz JLHRCFHIKAMKGB-VIFPVBQESA-N -1 3 392.851 0.700 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573424236 948147225 /nfs/dbraw/zinc/14/72/25/948147225.db2.gz URIZNKINGHKZSI-GXTWGEPZSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)NC[C@H]2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573424236 948147229 /nfs/dbraw/zinc/14/72/29/948147229.db2.gz URIZNKINGHKZSI-GXTWGEPZSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CC(C(=O)NCCCN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573424002 948148122 /nfs/dbraw/zinc/14/81/22/948148122.db2.gz SPZDAZPLCUGZQH-UHFFFAOYSA-N -1 3 378.462 0.052 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573678565 948150635 /nfs/dbraw/zinc/15/06/35/948150635.db2.gz FEOOTGMNYBWTBG-JOYOIKCWSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573678565 948150641 /nfs/dbraw/zinc/15/06/41/948150641.db2.gz FEOOTGMNYBWTBG-JOYOIKCWSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccc1 ZINC001573678423 948151290 /nfs/dbraw/zinc/15/12/90/948151290.db2.gz DRYSFNGDIBFWEF-ABAIWWIYSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccc1 ZINC001573678423 948151297 /nfs/dbraw/zinc/15/12/97/948151297.db2.gz DRYSFNGDIBFWEF-ABAIWWIYSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccn1 ZINC001573679336 948160768 /nfs/dbraw/zinc/16/07/68/948160768.db2.gz HZDOIFRFHSBHCS-HZMBPMFUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccn1 ZINC001573679336 948160771 /nfs/dbraw/zinc/16/07/71/948160771.db2.gz HZDOIFRFHSBHCS-HZMBPMFUSA-N -1 3 383.416 0.277 20 0 GCADHM CC(=O)N1CC2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)[C@H]2COC[C@H]21 ZINC001573427269 948163628 /nfs/dbraw/zinc/16/36/28/948163628.db2.gz WRHITXQHGMAJNW-DZGCQCFKSA-N -1 3 385.428 0.294 20 0 GCADHM CC(=O)N1CC2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)[C@H]2COC[C@H]21 ZINC001573427269 948163635 /nfs/dbraw/zinc/16/36/35/948163635.db2.gz WRHITXQHGMAJNW-DZGCQCFKSA-N -1 3 385.428 0.294 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573428955 948168456 /nfs/dbraw/zinc/16/84/56/948168456.db2.gz FDGAICCEAMAUNW-NSHDSACASA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573428955 948168461 /nfs/dbraw/zinc/16/84/61/948168461.db2.gz FDGAICCEAMAUNW-NSHDSACASA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001573429325 948169374 /nfs/dbraw/zinc/16/93/74/948169374.db2.gz HEJNKUOMVRUHQN-HNNXBMFYSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001573429325 948169380 /nfs/dbraw/zinc/16/93/80/948169380.db2.gz HEJNKUOMVRUHQN-HNNXBMFYSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573679966 948169430 /nfs/dbraw/zinc/16/94/30/948169430.db2.gz NNHSCANWUGINPA-ZWNOBZJWSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573679966 948169437 /nfs/dbraw/zinc/16/94/37/948169437.db2.gz NNHSCANWUGINPA-ZWNOBZJWSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573430054 948174657 /nfs/dbraw/zinc/17/46/57/948174657.db2.gz MDJWRXXICGYOSJ-LBPRGKRZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573430054 948174662 /nfs/dbraw/zinc/17/46/62/948174662.db2.gz MDJWRXXICGYOSJ-LBPRGKRZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573430624 948177665 /nfs/dbraw/zinc/17/76/65/948177665.db2.gz RXCMVAWLDIKMSB-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573430624 948177669 /nfs/dbraw/zinc/17/76/69/948177669.db2.gz RXCMVAWLDIKMSB-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573431003 948177736 /nfs/dbraw/zinc/17/77/36/948177736.db2.gz TYSIIYMBKQLVHQ-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573431003 948177739 /nfs/dbraw/zinc/17/77/39/948177739.db2.gz TYSIIYMBKQLVHQ-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccs1 ZINC001573680422 948178723 /nfs/dbraw/zinc/17/87/23/948178723.db2.gz PWWFBEZCBZILNI-GXSJLCMTSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccs1 ZINC001573680422 948178728 /nfs/dbraw/zinc/17/87/28/948178728.db2.gz PWWFBEZCBZILNI-GXSJLCMTSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573431919 948183469 /nfs/dbraw/zinc/18/34/69/948183469.db2.gz BURBTOABFVQGSM-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573431919 948183474 /nfs/dbraw/zinc/18/34/74/948183474.db2.gz BURBTOABFVQGSM-SGTLLEGYSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl)n1cccn1 ZINC001573680648 948184042 /nfs/dbraw/zinc/18/40/42/948184042.db2.gz PBZRORKNRZMGJS-KOLCDFICSA-N -1 3 391.823 0.262 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl)n1cccn1 ZINC001573680648 948184046 /nfs/dbraw/zinc/18/40/46/948184046.db2.gz PBZRORKNRZMGJS-KOLCDFICSA-N -1 3 391.823 0.262 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)C1 ZINC001573432158 948185901 /nfs/dbraw/zinc/18/59/01/948185901.db2.gz FHHIQKIIAYVKFL-INIZCTEOSA-N -1 3 375.458 0.654 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)C1 ZINC001573432158 948185904 /nfs/dbraw/zinc/18/59/04/948185904.db2.gz FHHIQKIIAYVKFL-INIZCTEOSA-N -1 3 375.458 0.654 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573432079 948186083 /nfs/dbraw/zinc/18/60/83/948186083.db2.gz CTCPTVZUFBXWSD-QGZVFWFLSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573432079 948186089 /nfs/dbraw/zinc/18/60/89/948186089.db2.gz CTCPTVZUFBXWSD-QGZVFWFLSA-N -1 3 390.423 0.212 20 0 GCADHM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C)n1cncn1 ZINC001573680935 948191498 /nfs/dbraw/zinc/19/14/98/948191498.db2.gz SMPVTSANJCGLQJ-YPMHNXCESA-N -1 3 382.432 0.445 20 0 GCADHM C[C@H](C(=O)N[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C)n1cncn1 ZINC001573680935 948191505 /nfs/dbraw/zinc/19/15/05/948191505.db2.gz SMPVTSANJCGLQJ-YPMHNXCESA-N -1 3 382.432 0.445 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573432606 948191996 /nfs/dbraw/zinc/19/19/96/948191996.db2.gz HHRPXSJQYBRMGS-ADLMAVQZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573432606 948192002 /nfs/dbraw/zinc/19/20/02/948192002.db2.gz HHRPXSJQYBRMGS-ADLMAVQZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573432927 948195336 /nfs/dbraw/zinc/19/53/36/948195336.db2.gz ITRKTYDQPAVSPY-JCGVRSQUSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573432927 948195341 /nfs/dbraw/zinc/19/53/41/948195341.db2.gz ITRKTYDQPAVSPY-JCGVRSQUSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573433276 948199240 /nfs/dbraw/zinc/19/92/40/948199240.db2.gz JZBSFDHEMMALCC-FVMDXXJSSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573433356 948199339 /nfs/dbraw/zinc/19/93/39/948199339.db2.gz KBTPZWXPFVEJBM-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573433356 948199346 /nfs/dbraw/zinc/19/93/46/948199346.db2.gz KBTPZWXPFVEJBM-XIKOKIGWSA-N -1 3 386.460 0.461 20 0 GCADHM NC(=O)NC1(C(=O)Nc2ccn(-c3ccc(-c4nn[n-]n4)cc3Cl)n2)CC1 ZINC000826392362 948200149 /nfs/dbraw/zinc/20/01/49/948200149.db2.gz VODVORLJYNRANZ-UHFFFAOYSA-N -1 3 387.791 0.845 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573433456 948200810 /nfs/dbraw/zinc/20/08/10/948200810.db2.gz LZVCORHIVJFURL-QWQRMKEZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573433456 948200820 /nfs/dbraw/zinc/20/08/20/948200820.db2.gz LZVCORHIVJFURL-QWQRMKEZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573433444 948202365 /nfs/dbraw/zinc/20/23/65/948202365.db2.gz LLVARWSXVPIQPZ-SMNXXWJPSA-N -1 3 398.471 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573433444 948202373 /nfs/dbraw/zinc/20/23/73/948202373.db2.gz LLVARWSXVPIQPZ-SMNXXWJPSA-N -1 3 398.471 0.779 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1)S(C)(=O)=O ZINC001573681433 948203002 /nfs/dbraw/zinc/20/30/02/948203002.db2.gz VPZQFDYQFFBZNO-TVQRCGJNSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1)S(C)(=O)=O ZINC001573681433 948203012 /nfs/dbraw/zinc/20/30/12/948203012.db2.gz VPZQFDYQFFBZNO-TVQRCGJNSA-N -1 3 379.446 0.002 20 0 GCADHM NC(=O)c1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826394139 948203792 /nfs/dbraw/zinc/20/37/92/948203792.db2.gz YFFVWQORVMUXBV-AWEZNQCLSA-N -1 3 394.395 0.966 20 0 GCADHM NC(=O)c1cccc(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826394139 948203797 /nfs/dbraw/zinc/20/37/97/948203797.db2.gz YFFVWQORVMUXBV-AWEZNQCLSA-N -1 3 394.395 0.966 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573433609 948204342 /nfs/dbraw/zinc/20/43/42/948204342.db2.gz MVEBFHHYQPWJCM-SGTLLEGYSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573433609 948204352 /nfs/dbraw/zinc/20/43/52/948204352.db2.gz MVEBFHHYQPWJCM-SGTLLEGYSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573433799 948206242 /nfs/dbraw/zinc/20/62/42/948206242.db2.gz NUROLXNYJCTZFJ-RDTXWAMCSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573433799 948206249 /nfs/dbraw/zinc/20/62/49/948206249.db2.gz NUROLXNYJCTZFJ-RDTXWAMCSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573433795 948206266 /nfs/dbraw/zinc/20/62/66/948206266.db2.gz NUROLXNYJCTZFJ-KSSFIOAISA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573433795 948206275 /nfs/dbraw/zinc/20/62/75/948206275.db2.gz NUROLXNYJCTZFJ-KSSFIOAISA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573681539 948206904 /nfs/dbraw/zinc/20/69/04/948206904.db2.gz WFHIVRZWTHVVNN-IAQYHMDHSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573681539 948206910 /nfs/dbraw/zinc/20/69/10/948206910.db2.gz WFHIVRZWTHVVNN-IAQYHMDHSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccsc1 ZINC001573681610 948207893 /nfs/dbraw/zinc/20/78/93/948207893.db2.gz YBIBCJNREMJYBC-GXSJLCMTSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccsc1 ZINC001573681610 948207901 /nfs/dbraw/zinc/20/79/01/948207901.db2.gz YBIBCJNREMJYBC-GXSJLCMTSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccsc1 ZINC001573681684 948210409 /nfs/dbraw/zinc/21/04/09/948210409.db2.gz ZAKZXKCAMFXFIX-BXKDBHETSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccsc1 ZINC001573681684 948210418 /nfs/dbraw/zinc/21/04/18/948210418.db2.gz ZAKZXKCAMFXFIX-BXKDBHETSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)c1cccnc1 ZINC001573681747 948211625 /nfs/dbraw/zinc/21/16/25/948211625.db2.gz XKEMZVCIXOTLRB-GXFFZTMASA-N -1 3 386.391 0.489 20 0 GCADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)c1cccnc1 ZINC001573681747 948211630 /nfs/dbraw/zinc/21/16/30/948211630.db2.gz XKEMZVCIXOTLRB-GXFFZTMASA-N -1 3 386.391 0.489 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573434578 948214481 /nfs/dbraw/zinc/21/44/81/948214481.db2.gz QQZLEKPWZJBJGZ-KPZWWZAWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573434578 948214490 /nfs/dbraw/zinc/21/44/90/948214490.db2.gz QQZLEKPWZJBJGZ-KPZWWZAWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573434685 948218083 /nfs/dbraw/zinc/21/80/83/948218083.db2.gz SHSQESRAOSYSEW-ZMZPIMSZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573434685 948218088 /nfs/dbraw/zinc/21/80/88/948218088.db2.gz SHSQESRAOSYSEW-ZMZPIMSZSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573434929 948221057 /nfs/dbraw/zinc/22/10/57/948221057.db2.gz SSAKBWBJHJNBEL-GOSISDBHSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N(C)CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573434929 948221066 /nfs/dbraw/zinc/22/10/66/948221066.db2.gz SSAKBWBJHJNBEL-GOSISDBHSA-N -1 3 386.460 0.699 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573689950 948221610 /nfs/dbraw/zinc/22/16/10/948221610.db2.gz AWXWAMRRZWJJDU-QWRGUYRKSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573689950 948221615 /nfs/dbraw/zinc/22/16/15/948221615.db2.gz AWXWAMRRZWJJDU-QWRGUYRKSA-N -1 3 377.449 0.426 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573434927 948221932 /nfs/dbraw/zinc/22/19/32/948221932.db2.gz SMZIYBWTDJAFEM-SGTLLEGYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N(C)[C@@H](C)CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573434927 948221939 /nfs/dbraw/zinc/22/19/39/948221939.db2.gz SMZIYBWTDJAFEM-SGTLLEGYSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573434995 948223525 /nfs/dbraw/zinc/22/35/25/948223525.db2.gz UPBDBLKEPRSHHT-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573434995 948223534 /nfs/dbraw/zinc/22/35/34/948223534.db2.gz UPBDBLKEPRSHHT-GOSISDBHSA-N -1 3 384.444 0.169 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccsc1 ZINC001573690231 948224303 /nfs/dbraw/zinc/22/43/03/948224303.db2.gz BQRHGQNBKLGBLZ-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccsc1 ZINC001573690231 948224315 /nfs/dbraw/zinc/22/43/15/948224315.db2.gz BQRHGQNBKLGBLZ-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573435232 948226892 /nfs/dbraw/zinc/22/68/92/948226892.db2.gz UXPYXKXVOQSEIJ-JDNHERCYSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573439384 948247148 /nfs/dbraw/zinc/24/71/48/948247148.db2.gz LKUQZTJHFBPKMA-HIFRSBDPSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573439384 948247159 /nfs/dbraw/zinc/24/71/59/948247159.db2.gz LKUQZTJHFBPKMA-HIFRSBDPSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573691880 948249226 /nfs/dbraw/zinc/24/92/26/948249226.db2.gz KUTYAOZRVMXYJK-GWCFXTLKSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573691880 948249235 /nfs/dbraw/zinc/24/92/35/948249235.db2.gz KUTYAOZRVMXYJK-GWCFXTLKSA-N -1 3 375.433 0.228 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CCO)c1cccs1 ZINC000826411824 948249701 /nfs/dbraw/zinc/24/97/01/948249701.db2.gz PAISWCYGICUZIU-ZDUSSCGKSA-N -1 3 386.437 0.898 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CCO)c1cccs1 ZINC000826411824 948249710 /nfs/dbraw/zinc/24/97/10/948249710.db2.gz PAISWCYGICUZIU-ZDUSSCGKSA-N -1 3 386.437 0.898 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCCC2(C1)OCCO2 ZINC000826411997 948250379 /nfs/dbraw/zinc/25/03/79/948250379.db2.gz XLVNGUIQQHLXAN-AWEZNQCLSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCC2(C1)OCCO2 ZINC000826411997 948250388 /nfs/dbraw/zinc/25/03/88/948250388.db2.gz XLVNGUIQQHLXAN-AWEZNQCLSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CN(c2ccc(F)cc2)C1=O ZINC000826412900 948252384 /nfs/dbraw/zinc/25/23/84/948252384.db2.gz IMOCUARHRICYOX-HNNXBMFYSA-N -1 3 381.371 0.949 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)n1cccn1 ZINC001573692109 948253623 /nfs/dbraw/zinc/25/36/23/948253623.db2.gz LRLBPXSVDBQUHT-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)n1cccn1 ZINC001573692109 948253635 /nfs/dbraw/zinc/25/36/35/948253635.db2.gz LRLBPXSVDBQUHT-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573692142 948255941 /nfs/dbraw/zinc/25/59/41/948255941.db2.gz MMGKWYUKGHRPRM-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573692142 948255949 /nfs/dbraw/zinc/25/59/49/948255949.db2.gz MMGKWYUKGHRPRM-MFKMUULPSA-N -1 3 375.433 0.180 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)NCCCc1nnc2n1CCCC2 ZINC000826418924 948260309 /nfs/dbraw/zinc/26/03/09/948260309.db2.gz BQECULFGEJBCHI-UHFFFAOYSA-N -1 3 382.428 0.922 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)NCCCc1nnc2n1CCCC2 ZINC000826418924 948260316 /nfs/dbraw/zinc/26/03/16/948260316.db2.gz BQECULFGEJBCHI-UHFFFAOYSA-N -1 3 382.428 0.922 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCC(N2CCCNC2=O)CC1 ZINC000826418768 948260594 /nfs/dbraw/zinc/26/05/94/948260594.db2.gz VRRSHJSINYGRMO-UHFFFAOYSA-N -1 3 385.428 0.652 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCC(N2CCCNC2=O)CC1 ZINC000826418768 948260601 /nfs/dbraw/zinc/26/06/01/948260601.db2.gz VRRSHJSINYGRMO-UHFFFAOYSA-N -1 3 385.428 0.652 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573440910 948262135 /nfs/dbraw/zinc/26/21/35/948262135.db2.gz BIJKFTMKVUFOJV-NSHDSACASA-N -1 3 375.458 0.796 20 0 GCADHM CC(=O)N1CCCC[C@H]1C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573440910 948262144 /nfs/dbraw/zinc/26/21/44/948262144.db2.gz BIJKFTMKVUFOJV-NSHDSACASA-N -1 3 375.458 0.796 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573440901 948263184 /nfs/dbraw/zinc/26/31/84/948263184.db2.gz BFIOLCROWZIZAC-SWLSCSKDSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573440901 948263193 /nfs/dbraw/zinc/26/31/93/948263193.db2.gz BFIOLCROWZIZAC-SWLSCSKDSA-N -1 3 386.460 0.840 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccs1 ZINC001573692494 948266102 /nfs/dbraw/zinc/26/61/02/948266102.db2.gz PFNJWTZPOWOCGM-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccs1 ZINC001573692494 948266107 /nfs/dbraw/zinc/26/61/07/948266107.db2.gz PFNJWTZPOWOCGM-ONGXEEELSA-N -1 3 389.441 0.267 20 0 GCADHM O=C(Cc1ccc(OCCOc2ccccc2-c2nnn[n-]2)cc1)NCCO ZINC000826422999 948270278 /nfs/dbraw/zinc/27/02/78/948270278.db2.gz UMVAVYRZCCZQND-UHFFFAOYSA-N -1 3 383.408 0.976 20 0 GCADHM O=C(Cc1ccc(OCCOc2ccccc2-c2nn[n-]n2)cc1)NCCO ZINC000826422999 948270289 /nfs/dbraw/zinc/27/02/89/948270289.db2.gz UMVAVYRZCCZQND-UHFFFAOYSA-N -1 3 383.408 0.976 20 0 GCADHM O=C(N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1(N2CCOCC2)CCC1 ZINC000826426077 948274016 /nfs/dbraw/zinc/27/40/16/948274016.db2.gz DXPKZSWDESGSOR-UHFFFAOYSA-N -1 3 398.471 0.165 20 0 GCADHM O=C(N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1(N2CCOCC2)CCC1 ZINC000826426077 948274028 /nfs/dbraw/zinc/27/40/28/948274028.db2.gz DXPKZSWDESGSOR-UHFFFAOYSA-N -1 3 398.471 0.165 20 0 GCADHM O=C(NC[C@H](O)CO)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826432692 948285271 /nfs/dbraw/zinc/28/52/71/948285271.db2.gz IBWYZNNCWQQOEG-VIFPVBQESA-N -1 3 378.780 0.181 20 0 GCADHM O=C(NC[C@H](O)CO)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826432692 948285278 /nfs/dbraw/zinc/28/52/78/948285278.db2.gz IBWYZNNCWQQOEG-VIFPVBQESA-N -1 3 378.780 0.181 20 0 GCADHM O=C(NC[C@H](O)CO)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826432900 948287275 /nfs/dbraw/zinc/28/72/75/948287275.db2.gz OXNNUBCHXAAXDE-VIFPVBQESA-N -1 3 378.780 0.181 20 0 GCADHM O=C(NCCCO)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826436616 948291021 /nfs/dbraw/zinc/29/10/21/948291021.db2.gz ATUHSDIYRPCZFX-UHFFFAOYSA-N -1 3 390.791 0.143 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573694328 948293997 /nfs/dbraw/zinc/29/39/97/948293997.db2.gz COLWMQKLNKSJQP-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573694328 948294007 /nfs/dbraw/zinc/29/40/07/948294007.db2.gz COLWMQKLNKSJQP-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCCc1ccc(CO)cc1 ZINC000826438333 948295044 /nfs/dbraw/zinc/29/50/44/948295044.db2.gz YIPJBOPOMCJWJF-UHFFFAOYSA-N -1 3 382.428 0.708 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCCc1ccc(CO)cc1 ZINC000826438333 948295052 /nfs/dbraw/zinc/29/50/52/948295052.db2.gz YIPJBOPOMCJWJF-UHFFFAOYSA-N -1 3 382.428 0.708 20 0 GCADHM O=C(NCCOCCO)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826438571 948295413 /nfs/dbraw/zinc/29/54/13/948295413.db2.gz IKMDLIZLFSHQLH-UHFFFAOYSA-N -1 3 392.807 0.836 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1)n1cccn1 ZINC001573695054 948299477 /nfs/dbraw/zinc/29/94/77/948299477.db2.gz WRMBSWKFGCZMOG-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1)n1cccn1 ZINC001573695054 948299485 /nfs/dbraw/zinc/29/94/85/948299485.db2.gz WRMBSWKFGCZMOG-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573442948 948300228 /nfs/dbraw/zinc/30/02/28/948300228.db2.gz KMOBMXZQOMKGGB-SKDRFNHKSA-N -1 3 392.489 0.807 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccs1 ZINC001573695173 948302412 /nfs/dbraw/zinc/30/24/12/948302412.db2.gz XBJBFGOIHXGQRE-ZJUUUORDSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccs1 ZINC001573695173 948302423 /nfs/dbraw/zinc/30/24/23/948302423.db2.gz XBJBFGOIHXGQRE-ZJUUUORDSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC001573443784 948308899 /nfs/dbraw/zinc/30/88/99/948308899.db2.gz OYECNQCRKMHZKT-ZDUSSCGKSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC001573443784 948308908 /nfs/dbraw/zinc/30/89/08/948308908.db2.gz OYECNQCRKMHZKT-ZDUSSCGKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)C(F)(F)F ZINC001573695826 948311587 /nfs/dbraw/zinc/31/15/87/948311587.db2.gz IYYALROXOCNXSG-LKFCYVNXSA-N -1 3 385.350 0.518 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)C(F)(F)F ZINC001573695826 948311592 /nfs/dbraw/zinc/31/15/92/948311592.db2.gz IYYALROXOCNXSG-LKFCYVNXSA-N -1 3 385.350 0.518 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573444364 948312442 /nfs/dbraw/zinc/31/24/42/948312442.db2.gz SPHHFCZDWBCJAM-JSGCOSHPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573444364 948312450 /nfs/dbraw/zinc/31/24/50/948312450.db2.gz SPHHFCZDWBCJAM-JSGCOSHPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@H](N2CCN(c3snc(C)c3-c3nnn[n-]3)CC2=O)C1 ZINC001573444659 948316637 /nfs/dbraw/zinc/31/66/37/948316637.db2.gz VFHJUSNFPQXYFB-LBPRGKRZSA-N -1 3 390.473 0.291 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCC1)S(C)(=O)=O ZINC001573696201 948320303 /nfs/dbraw/zinc/32/03/03/948320303.db2.gz LZPFDDZYKUIHBJ-SNVBAGLBSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCC1)S(C)(=O)=O ZINC001573696201 948320309 /nfs/dbraw/zinc/32/03/09/948320309.db2.gz LZPFDDZYKUIHBJ-SNVBAGLBSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)(F)F ZINC001573696257 948320632 /nfs/dbraw/zinc/32/06/32/948320632.db2.gz MQYUPXVTAGSQAH-QLJPJBMISA-N -1 3 381.387 0.610 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)(F)F ZINC001573696257 948320642 /nfs/dbraw/zinc/32/06/42/948320642.db2.gz MQYUPXVTAGSQAH-QLJPJBMISA-N -1 3 381.387 0.610 20 0 GCADHM O=C(Nc1cnn(-c2ncccn2)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826453385 948321525 /nfs/dbraw/zinc/32/15/25/948321525.db2.gz JBCAMAFSNANABO-UHFFFAOYSA-N -1 3 394.330 0.559 20 0 GCADHM O=C(Nc1cnn(-c2ncccn2)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826453385 948321535 /nfs/dbraw/zinc/32/15/35/948321535.db2.gz JBCAMAFSNANABO-UHFFFAOYSA-N -1 3 394.330 0.559 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573445229 948323131 /nfs/dbraw/zinc/32/31/31/948323131.db2.gz YWGDXKUDQPKQBN-OCCSQVGLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573445229 948323144 /nfs/dbraw/zinc/32/31/44/948323144.db2.gz YWGDXKUDQPKQBN-OCCSQVGLSA-N -1 3 386.460 0.745 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826453533 948324071 /nfs/dbraw/zinc/32/40/71/948324071.db2.gz ODXIESQFXXWIPS-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826453533 948324082 /nfs/dbraw/zinc/32/40/82/948324082.db2.gz ODXIESQFXXWIPS-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573446247 948327170 /nfs/dbraw/zinc/32/71/70/948327170.db2.gz BSYPQCQXLJQMJK-SWLSCSKDSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573446247 948327175 /nfs/dbraw/zinc/32/71/75/948327175.db2.gz BSYPQCQXLJQMJK-SWLSCSKDSA-N -1 3 386.460 0.840 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573446448 948328158 /nfs/dbraw/zinc/32/81/58/948328158.db2.gz GUBHQFHGCIURMY-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573446448 948328168 /nfs/dbraw/zinc/32/81/68/948328168.db2.gz GUBHQFHGCIURMY-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)c1ccco1 ZINC001573696585 948328751 /nfs/dbraw/zinc/32/87/51/948328751.db2.gz SONGDIPNZWVXPR-ZDUSSCGKSA-N -1 3 382.424 0.926 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1)c1ccco1 ZINC001573696585 948328759 /nfs/dbraw/zinc/32/87/59/948328759.db2.gz SONGDIPNZWVXPR-ZDUSSCGKSA-N -1 3 382.424 0.926 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573696716 948332652 /nfs/dbraw/zinc/33/26/52/948332652.db2.gz WIYMTOVBOYOXAK-VOJFVSQTSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573696716 948332660 /nfs/dbraw/zinc/33/26/60/948332660.db2.gz WIYMTOVBOYOXAK-VOJFVSQTSA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573446631 948333306 /nfs/dbraw/zinc/33/33/06/948333306.db2.gz KVMAKXZIFFBSDF-JKSUJKDBSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573446631 948333311 /nfs/dbraw/zinc/33/33/11/948333311.db2.gz KVMAKXZIFFBSDF-JKSUJKDBSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573446615 948333423 /nfs/dbraw/zinc/33/34/23/948333423.db2.gz KMSCRRDJMVARHR-VXGBXAGGSA-N -1 3 390.473 0.655 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573446650 948333666 /nfs/dbraw/zinc/33/36/66/948333666.db2.gz LHRNDBLHGJRGRT-IAQYHMDHSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573696813 948333684 /nfs/dbraw/zinc/33/36/84/948333684.db2.gz XKGHJHNVIIFNTK-AAEUAGOBSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573696813 948333692 /nfs/dbraw/zinc/33/36/92/948333692.db2.gz XKGHJHNVIIFNTK-AAEUAGOBSA-N -1 3 384.444 0.627 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573446650 948333672 /nfs/dbraw/zinc/33/36/72/948333672.db2.gz LHRNDBLHGJRGRT-IAQYHMDHSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573696799 948334279 /nfs/dbraw/zinc/33/42/79/948334279.db2.gz XEMMRCWYFPHYDV-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573696799 948334288 /nfs/dbraw/zinc/33/42/88/948334288.db2.gz XEMMRCWYFPHYDV-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCCC1 ZINC001573696751 948334327 /nfs/dbraw/zinc/33/43/27/948334327.db2.gz WSDGGBAAPOTIJS-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCCC1 ZINC001573696751 948334335 /nfs/dbraw/zinc/33/43/35/948334335.db2.gz WSDGGBAAPOTIJS-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573446651 948334547 /nfs/dbraw/zinc/33/45/47/948334547.db2.gz LHRNDBLHGJRGRT-XHDPSFHLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573446651 948334556 /nfs/dbraw/zinc/33/45/56/948334556.db2.gz LHRNDBLHGJRGRT-XHDPSFHLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001573446685 948335459 /nfs/dbraw/zinc/33/54/59/948335459.db2.gz MOBGJYVSWSLWIJ-OAHLLOKOSA-N -1 3 386.460 0.557 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001573446685 948335469 /nfs/dbraw/zinc/33/54/69/948335469.db2.gz MOBGJYVSWSLWIJ-OAHLLOKOSA-N -1 3 386.460 0.557 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573446694 948335719 /nfs/dbraw/zinc/33/57/19/948335719.db2.gz MXSARSFZFKZHCD-UKRRQHHQSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573446694 948335728 /nfs/dbraw/zinc/33/57/28/948335728.db2.gz MXSARSFZFKZHCD-UKRRQHHQSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573446895 948337321 /nfs/dbraw/zinc/33/73/21/948337321.db2.gz QZIYYGPTSWPKFQ-IAQYHMDHSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573446895 948337327 /nfs/dbraw/zinc/33/73/27/948337327.db2.gz QZIYYGPTSWPKFQ-IAQYHMDHSA-N -1 3 386.460 0.745 20 0 GCADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)NC(CO)CO ZINC000826458366 948339298 /nfs/dbraw/zinc/33/92/98/948339298.db2.gz MYRDDGNZLBAXRX-UHFFFAOYSA-N -1 3 378.780 0.181 20 0 GCADHM O=C(Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)NC(CO)CO ZINC000826458366 948339303 /nfs/dbraw/zinc/33/93/03/948339303.db2.gz MYRDDGNZLBAXRX-UHFFFAOYSA-N -1 3 378.780 0.181 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573447045 948339699 /nfs/dbraw/zinc/33/96/99/948339699.db2.gz SOCGFINLKMMMBX-UKRRQHHQSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573447045 948339708 /nfs/dbraw/zinc/33/97/08/948339708.db2.gz SOCGFINLKMMMBX-UKRRQHHQSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCCN1c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573701857 948339972 /nfs/dbraw/zinc/33/99/72/948339972.db2.gz BLMYLGAOARFZGF-CHWSQXEVSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCCN1c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573701857 948339976 /nfs/dbraw/zinc/33/99/76/948339976.db2.gz BLMYLGAOARFZGF-CHWSQXEVSA-N -1 3 382.432 0.590 20 0 GCADHM O=C(Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1)NC(CO)CO ZINC000826458361 948340357 /nfs/dbraw/zinc/34/03/57/948340357.db2.gz MUASHPZPIDFVMY-UHFFFAOYSA-N -1 3 378.780 0.181 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573703621 948357183 /nfs/dbraw/zinc/35/71/83/948357183.db2.gz LJTANZRJBLXYAJ-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573703621 948357194 /nfs/dbraw/zinc/35/71/94/948357194.db2.gz LJTANZRJBLXYAJ-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573704049 948364567 /nfs/dbraw/zinc/36/45/67/948364567.db2.gz OMDNWQSSERQILM-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573704049 948364581 /nfs/dbraw/zinc/36/45/81/948364581.db2.gz OMDNWQSSERQILM-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573704531 948375647 /nfs/dbraw/zinc/37/56/47/948375647.db2.gz BRYNVZFSMUDXJE-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573704531 948375654 /nfs/dbraw/zinc/37/56/54/948375654.db2.gz BRYNVZFSMUDXJE-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573704611 948378865 /nfs/dbraw/zinc/37/88/65/948378865.db2.gz TXUILWUICRXOIT-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573704611 948378871 /nfs/dbraw/zinc/37/88/71/948378871.db2.gz TXUILWUICRXOIT-DGCLKSJQSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573704680 948380608 /nfs/dbraw/zinc/38/06/08/948380608.db2.gz CJPWIKOWEGNUQZ-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573704680 948380613 /nfs/dbraw/zinc/38/06/13/948380613.db2.gz CJPWIKOWEGNUQZ-VXGBXAGGSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)C(F)(F)F ZINC001573704945 948387054 /nfs/dbraw/zinc/38/70/54/948387054.db2.gz CAQZGUHRBOBTNX-VHSXEESVSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)C(F)(F)F ZINC001573704945 948387060 /nfs/dbraw/zinc/38/70/60/948387060.db2.gz CAQZGUHRBOBTNX-VHSXEESVSA-N -1 3 385.350 0.782 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@@H]1CCC(=O)NC1=O ZINC000826479702 948392193 /nfs/dbraw/zinc/39/21/93/948392193.db2.gz GDUWLVOKEQZNIJ-SSDOTTSWSA-N -1 3 381.299 0.395 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@@H]1CCC(=O)NC1=O ZINC000826479702 948392200 /nfs/dbraw/zinc/39/22/00/948392200.db2.gz GDUWLVOKEQZNIJ-SSDOTTSWSA-N -1 3 381.299 0.395 20 0 GCADHM O=C(c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826482120 948396690 /nfs/dbraw/zinc/39/66/90/948396690.db2.gz SICJYHFSWHRMSU-SECBINFHSA-N -1 3 396.194 0.550 20 0 GCADHM O=C(c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826482120 948396694 /nfs/dbraw/zinc/39/66/94/948396694.db2.gz SICJYHFSWHRMSU-SECBINFHSA-N -1 3 396.194 0.550 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1)n1cncn1 ZINC001573705374 948398831 /nfs/dbraw/zinc/39/88/31/948398831.db2.gz HNVHQXCNKFCVEC-SMDDNHRTSA-N -1 3 385.407 0.549 20 0 GCADHM O=S(=O)(CCn1cnc(-c2ccncc2)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826485332 948401185 /nfs/dbraw/zinc/40/11/85/948401185.db2.gz MFMAURAVEOAZKL-UHFFFAOYSA-N -1 3 382.409 0.994 20 0 GCADHM O=S(=O)(CCn1cnc(-c2ccncc2)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826485332 948401192 /nfs/dbraw/zinc/40/11/92/948401192.db2.gz MFMAURAVEOAZKL-UHFFFAOYSA-N -1 3 382.409 0.994 20 0 GCADHM O=S(=O)(CCNc1nc2ccccn2c1-c1nnn[n-]1)N1CCSCC1 ZINC000826485510 948401428 /nfs/dbraw/zinc/40/14/28/948401428.db2.gz TUUKDWMQRMXPLU-UHFFFAOYSA-N -1 3 394.486 0.305 20 0 GCADHM O=S(=O)(CCNc1nc2ccccn2c1-c1nn[n-]n1)N1CCSCC1 ZINC000826485510 948401434 /nfs/dbraw/zinc/40/14/34/948401434.db2.gz TUUKDWMQRMXPLU-UHFFFAOYSA-N -1 3 394.486 0.305 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc(F)c1-c1nnn[n-]1 ZINC000826490407 948404727 /nfs/dbraw/zinc/40/47/27/948404727.db2.gz UOILIPIZVUVXBC-WDEREUQCSA-N -1 3 382.421 0.147 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc(F)c1-c1nn[n-]n1 ZINC000826490407 948404734 /nfs/dbraw/zinc/40/47/34/948404734.db2.gz UOILIPIZVUVXBC-WDEREUQCSA-N -1 3 382.421 0.147 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000826494369 948407830 /nfs/dbraw/zinc/40/78/30/948407830.db2.gz ZHYIASGDWRASND-LBPRGKRZSA-N -1 3 398.876 0.615 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CC[C@H](N2CCOCC2)C1 ZINC000826494369 948407834 /nfs/dbraw/zinc/40/78/34/948407834.db2.gz ZHYIASGDWRASND-LBPRGKRZSA-N -1 3 398.876 0.615 20 0 GCADHM O=S1(=O)CCN(C2CCN(Cc3ccc(-c4nnn[n-]4)cc3F)CC2)CC1 ZINC000826496645 948410022 /nfs/dbraw/zinc/41/00/22/948410022.db2.gz CNIBFPUSMAKAKN-UHFFFAOYSA-N -1 3 394.476 0.701 20 0 GCADHM O=S1(=O)CCN(C2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)CC1 ZINC000826496645 948410026 /nfs/dbraw/zinc/41/00/26/948410026.db2.gz CNIBFPUSMAKAKN-UHFFFAOYSA-N -1 3 394.476 0.701 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573706028 948411486 /nfs/dbraw/zinc/41/14/86/948411486.db2.gz JFPPQCMDNKLCCM-QWHCGFSZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573706028 948411490 /nfs/dbraw/zinc/41/14/90/948411490.db2.gz JFPPQCMDNKLCCM-QWHCGFSZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573706295 948415862 /nfs/dbraw/zinc/41/58/62/948415862.db2.gz IBWVOZFWSSSNSC-TZMCWYRMSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573706295 948415868 /nfs/dbraw/zinc/41/58/68/948415868.db2.gz IBWVOZFWSSSNSC-TZMCWYRMSA-N -1 3 383.416 0.041 20 0 GCADHM O[C@@H](COC1CCOCC1)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826504496 948423008 /nfs/dbraw/zinc/42/30/08/948423008.db2.gz XIAQSKHSEDDWGK-SJLPKXTDSA-N -1 3 389.456 0.797 20 0 GCADHM O[C@@H](COC1CCOCC1)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826504494 948423033 /nfs/dbraw/zinc/42/30/33/948423033.db2.gz XIAQSKHSEDDWGK-AEFFLSMTSA-N -1 3 389.456 0.797 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C1CCC1 ZINC001573706797 948425321 /nfs/dbraw/zinc/42/53/21/948425321.db2.gz MAPNKTGWLNITNT-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C1CCC1 ZINC001573706797 948425325 /nfs/dbraw/zinc/42/53/25/948425325.db2.gz MAPNKTGWLNITNT-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001573707759 948437958 /nfs/dbraw/zinc/43/79/58/948437958.db2.gz POKHBQGUBLTUJZ-KGLIPLIRSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001573707759 948437962 /nfs/dbraw/zinc/43/79/62/948437962.db2.gz POKHBQGUBLTUJZ-KGLIPLIRSA-N -1 3 382.428 0.646 20 0 GCADHM C[C@H](C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573708574 948453600 /nfs/dbraw/zinc/45/36/00/948453600.db2.gz VWRGGDUQWAQIOX-NSHDSACASA-N -1 3 380.412 0.582 20 0 GCADHM C[C@H](C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573708574 948453609 /nfs/dbraw/zinc/45/36/09/948453609.db2.gz VWRGGDUQWAQIOX-NSHDSACASA-N -1 3 380.412 0.582 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)C(C)(F)F ZINC001573708728 948457503 /nfs/dbraw/zinc/45/75/03/948457503.db2.gz XPSFZNQSICAILY-JQWIXIFHSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)C(C)(F)F ZINC001573708728 948457511 /nfs/dbraw/zinc/45/75/11/948457511.db2.gz XPSFZNQSICAILY-JQWIXIFHSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573708783 948460043 /nfs/dbraw/zinc/46/00/43/948460043.db2.gz XTESGOXQBGKYDB-CHWSQXEVSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573708783 948460047 /nfs/dbraw/zinc/46/00/47/948460047.db2.gz XTESGOXQBGKYDB-CHWSQXEVSA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)C(C)(F)F ZINC001573708884 948461420 /nfs/dbraw/zinc/46/14/20/948461420.db2.gz YAYDMHWSXXZXQF-WDEREUQCSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)C(C)(F)F ZINC001573708884 948461423 /nfs/dbraw/zinc/46/14/23/948461423.db2.gz YAYDMHWSXXZXQF-WDEREUQCSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)C(C)(F)F ZINC001573708882 948461984 /nfs/dbraw/zinc/46/19/84/948461984.db2.gz YAYDMHWSXXZXQF-MNOVXSKESA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)C(C)(F)F ZINC001573708882 948461988 /nfs/dbraw/zinc/46/19/88/948461988.db2.gz YAYDMHWSXXZXQF-MNOVXSKESA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1)N(C)CC(F)(F)F ZINC001573713751 948467417 /nfs/dbraw/zinc/46/74/17/948467417.db2.gz BIAZSVYWYQDRPJ-JTQLQIEISA-N -1 3 386.382 0.697 20 0 GCADHM C[C@@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1)N(C)CC(F)(F)F ZINC001573713751 948467422 /nfs/dbraw/zinc/46/74/22/948467422.db2.gz BIAZSVYWYQDRPJ-JTQLQIEISA-N -1 3 386.382 0.697 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccn1 ZINC001573713793 948467656 /nfs/dbraw/zinc/46/76/56/948467656.db2.gz BQURKAZKRNBCFA-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccn1 ZINC001573713793 948467664 /nfs/dbraw/zinc/46/76/64/948467664.db2.gz BQURKAZKRNBCFA-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)C1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573716899 948503319 /nfs/dbraw/zinc/50/33/19/948503319.db2.gz JMYBCLHRFOKJEW-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)C1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573716899 948503324 /nfs/dbraw/zinc/50/33/24/948503324.db2.gz JMYBCLHRFOKJEW-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)cn1)C1CC1)c1cnn(C)c1 ZINC001573717146 948506592 /nfs/dbraw/zinc/50/65/92/948506592.db2.gz CCACNWDJCAUJII-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)cn1)C1CC1)c1cnn(C)c1 ZINC001573717146 948506598 /nfs/dbraw/zinc/50/65/98/948506598.db2.gz CCACNWDJCAUJII-GFCCVEGCSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NCCN(c1ncccc1-c1nnn[n-]1)C1CC1)c1cnn(C)c1 ZINC001573717485 948508135 /nfs/dbraw/zinc/50/81/35/948508135.db2.gz CXVLOWZDVHNMIO-LBPRGKRZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NCCN(c1ncccc1-c1nn[n-]n1)C1CC1)c1cnn(C)c1 ZINC001573717485 948508143 /nfs/dbraw/zinc/50/81/43/948508143.db2.gz CXVLOWZDVHNMIO-LBPRGKRZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)C1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573718348 948515891 /nfs/dbraw/zinc/51/58/91/948515891.db2.gz QWJHKVLJTMLMHK-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)C1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573718348 948515900 /nfs/dbraw/zinc/51/59/00/948515900.db2.gz QWJHKVLJTMLMHK-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC001475616468 948535677 /nfs/dbraw/zinc/53/56/77/948535677.db2.gz XMSMKYAEZFMHNF-XWEPSHTISA-N -1 3 391.862 0.374 20 0 GCADHM CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC001475616468 948535684 /nfs/dbraw/zinc/53/56/84/948535684.db2.gz XMSMKYAEZFMHNF-XWEPSHTISA-N -1 3 391.862 0.374 20 0 GCADHM C[C@H](C(=O)NCCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573721606 948540986 /nfs/dbraw/zinc/54/09/86/948540986.db2.gz ZHBICLJEGRXYDL-ZDUSSCGKSA-N -1 3 385.476 0.331 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573725996 948547347 /nfs/dbraw/zinc/54/73/47/948547347.db2.gz FHHPRDXINOTFSN-FMSGJZPZSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573725996 948547349 /nfs/dbraw/zinc/54/73/49/948547349.db2.gz FHHPRDXINOTFSN-FMSGJZPZSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573726260 948548557 /nfs/dbraw/zinc/54/85/57/948548557.db2.gz HHJDATFCLXOAGI-FRRDWIJNSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573726260 948548563 /nfs/dbraw/zinc/54/85/63/948548563.db2.gz HHJDATFCLXOAGI-FRRDWIJNSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573726750 948551349 /nfs/dbraw/zinc/55/13/49/948551349.db2.gz JXSZCXKDQGYBHE-NQBHXWOUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573726750 948551351 /nfs/dbraw/zinc/55/13/51/948551351.db2.gz JXSZCXKDQGYBHE-NQBHXWOUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573728877 948563433 /nfs/dbraw/zinc/56/34/33/948563433.db2.gz RFXMNXIWJLRLOB-OBJOEFQTSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573728877 948563441 /nfs/dbraw/zinc/56/34/41/948563441.db2.gz RFXMNXIWJLRLOB-OBJOEFQTSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573729433 948568087 /nfs/dbraw/zinc/56/80/87/948568087.db2.gz SRWRAARLSRBPJK-RWMBFGLXSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573729433 948568091 /nfs/dbraw/zinc/56/80/91/948568091.db2.gz SRWRAARLSRBPJK-RWMBFGLXSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573730560 948582312 /nfs/dbraw/zinc/58/23/12/948582312.db2.gz RCDHDYSFDPALCW-IJLUTSLNSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573730560 948582318 /nfs/dbraw/zinc/58/23/18/948582318.db2.gz RCDHDYSFDPALCW-IJLUTSLNSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)s1)S(=O)(=O)C1CCOCC1 ZINC001573730938 948586166 /nfs/dbraw/zinc/58/61/66/948586166.db2.gz STOKNRBVUVLTNI-VIFPVBQESA-N -1 3 385.471 0.527 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001573731710 948594121 /nfs/dbraw/zinc/59/41/21/948594121.db2.gz XOQFRJDHUSJDSO-JUFZMCDQSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001573731710 948594125 /nfs/dbraw/zinc/59/41/25/948594125.db2.gz XOQFRJDHUSJDSO-JUFZMCDQSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)c1ccnn1C ZINC001573732703 948607616 /nfs/dbraw/zinc/60/76/16/948607616.db2.gz VPHDMNXSPCYCTB-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)c1ccnn1C ZINC001573732703 948607619 /nfs/dbraw/zinc/60/76/19/948607619.db2.gz VPHDMNXSPCYCTB-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncnc1 ZINC001573732794 948609710 /nfs/dbraw/zinc/60/97/10/948609710.db2.gz XZLJIABTTVVDQC-WDEREUQCSA-N -1 3 383.416 0.413 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncnc1 ZINC001573732794 948609713 /nfs/dbraw/zinc/60/97/13/948609713.db2.gz XZLJIABTTVVDQC-WDEREUQCSA-N -1 3 383.416 0.413 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cncnc1 ZINC001573732879 948611575 /nfs/dbraw/zinc/61/15/75/948611575.db2.gz ZYXXJAOZDDRCCC-WDEREUQCSA-N -1 3 383.416 0.413 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cncnc1 ZINC001573732879 948611579 /nfs/dbraw/zinc/61/15/79/948611579.db2.gz ZYXXJAOZDDRCCC-WDEREUQCSA-N -1 3 383.416 0.413 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573736272 948613938 /nfs/dbraw/zinc/61/39/38/948613938.db2.gz MILGATJWZQCIRJ-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573736272 948613945 /nfs/dbraw/zinc/61/39/45/948613945.db2.gz MILGATJWZQCIRJ-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573736258 948615003 /nfs/dbraw/zinc/61/50/03/948615003.db2.gz LJZGPMGSEDIYJU-ZWNOBZJWSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573736258 948615011 /nfs/dbraw/zinc/61/50/11/948615011.db2.gz LJZGPMGSEDIYJU-ZWNOBZJWSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573736471 948615759 /nfs/dbraw/zinc/61/57/59/948615759.db2.gz WJBRGJPNJARKCE-ZYHUDNBSSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573736471 948615764 /nfs/dbraw/zinc/61/57/64/948615764.db2.gz WJBRGJPNJARKCE-ZYHUDNBSSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)n1cccc1 ZINC001573739254 948618169 /nfs/dbraw/zinc/61/81/69/948618169.db2.gz BTQBUOHKTZWICV-HONMWMINSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)n1cccc1 ZINC001573739254 948618177 /nfs/dbraw/zinc/61/81/77/948618177.db2.gz BTQBUOHKTZWICV-HONMWMINSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)C(C)(C)C ZINC001573740216 948630417 /nfs/dbraw/zinc/63/04/17/948630417.db2.gz LDYRALITAAJFGZ-OASPWFOLSA-N -1 3 377.424 0.749 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)C(C)(C)C ZINC001573740216 948630420 /nfs/dbraw/zinc/63/04/20/948630420.db2.gz LDYRALITAAJFGZ-OASPWFOLSA-N -1 3 377.424 0.749 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C)n1cccn1 ZINC001573740383 948634383 /nfs/dbraw/zinc/63/43/83/948634383.db2.gz NMBPEPHSJUWGKI-JTNHKYCSSA-N -1 3 385.407 0.799 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C)n1cccn1 ZINC001573740383 948634388 /nfs/dbraw/zinc/63/43/88/948634388.db2.gz NMBPEPHSJUWGKI-JTNHKYCSSA-N -1 3 385.407 0.799 20 0 GCADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573740479 948636632 /nfs/dbraw/zinc/63/66/32/948636632.db2.gz PWZPLMFRYXUSJB-OXHZDVMGSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573740479 948636634 /nfs/dbraw/zinc/63/66/34/948636634.db2.gz PWZPLMFRYXUSJB-OXHZDVMGSA-N -1 3 380.416 0.340 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)c1ccco1 ZINC001573741034 948648483 /nfs/dbraw/zinc/64/84/83/948648483.db2.gz XECHTCVAAHPAOU-OASPWFOLSA-N -1 3 387.375 0.463 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)c1ccco1 ZINC001573741034 948648487 /nfs/dbraw/zinc/64/84/87/948648487.db2.gz XECHTCVAAHPAOU-OASPWFOLSA-N -1 3 387.375 0.463 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1cccs1 ZINC001573741493 948654343 /nfs/dbraw/zinc/65/43/43/948654343.db2.gz XPYJSNMXXGUDOP-GDLCADMTSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1cccs1 ZINC001573741493 948654348 /nfs/dbraw/zinc/65/43/48/948654348.db2.gz XPYJSNMXXGUDOP-GDLCADMTSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C)n1cccn1 ZINC001573741557 948655567 /nfs/dbraw/zinc/65/55/67/948655567.db2.gz ZEKGFQRSCCZBJG-UHIISALHSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C)n1cccn1 ZINC001573741557 948655574 /nfs/dbraw/zinc/65/55/74/948655574.db2.gz ZEKGFQRSCCZBJG-UHIISALHSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573742058 948659649 /nfs/dbraw/zinc/65/96/49/948659649.db2.gz HUCOZZMMWQUFDP-MFKMUULPSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573742058 948659653 /nfs/dbraw/zinc/65/96/53/948659653.db2.gz HUCOZZMMWQUFDP-MFKMUULPSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H](C)n1cncn1 ZINC001573743161 948667335 /nfs/dbraw/zinc/66/73/35/948667335.db2.gz ZSOXXAXXNPPQBB-BDAKNGLRSA-N -1 3 376.812 0.684 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H](C)n1cncn1 ZINC001573743161 948667339 /nfs/dbraw/zinc/66/73/39/948667339.db2.gz ZSOXXAXXNPPQBB-BDAKNGLRSA-N -1 3 376.812 0.684 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573745176 948669043 /nfs/dbraw/zinc/66/90/43/948669043.db2.gz BWRTUDMUXPCLHT-UBHSHLNASA-N -1 3 382.432 0.954 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573745176 948669046 /nfs/dbraw/zinc/66/90/46/948669046.db2.gz BWRTUDMUXPCLHT-UBHSHLNASA-N -1 3 382.432 0.954 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1C)S(C)(=O)=O ZINC001573745565 948672855 /nfs/dbraw/zinc/67/28/55/948672855.db2.gz FPEVSMGKUWNJAM-XUJVJEKNSA-N -1 3 392.485 0.379 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCOCC1 ZINC001573745606 948673940 /nfs/dbraw/zinc/67/39/40/948673940.db2.gz FKBLTPLXMCWQTB-RAIGVLPGSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCOCC1 ZINC001573745606 948673946 /nfs/dbraw/zinc/67/39/46/948673946.db2.gz FKBLTPLXMCWQTB-RAIGVLPGSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001573746819 948685228 /nfs/dbraw/zinc/68/52/28/948685228.db2.gz PORHCCOWAOEQEK-MCYUEQNJSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001573746819 948685236 /nfs/dbraw/zinc/68/52/36/948685236.db2.gz PORHCCOWAOEQEK-MCYUEQNJSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573749341 948699382 /nfs/dbraw/zinc/69/93/82/948699382.db2.gz YMQKHKBCFNBGCW-NQBHXWOUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573749341 948699389 /nfs/dbraw/zinc/69/93/89/948699389.db2.gz YMQKHKBCFNBGCW-NQBHXWOUSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)c1cnn(C)c1 ZINC001573751809 948704352 /nfs/dbraw/zinc/70/43/52/948704352.db2.gz DKZSFRXLSZMZKN-ADDUCUOXSA-N -1 3 379.428 0.350 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)c1cnn(C)c1 ZINC001573751809 948704358 /nfs/dbraw/zinc/70/43/58/948704358.db2.gz DKZSFRXLSZMZKN-ADDUCUOXSA-N -1 3 379.428 0.350 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)n1cccc1 ZINC001573752237 948710065 /nfs/dbraw/zinc/71/00/65/948710065.db2.gz LRJINVLGKCTAEV-MUYACECFSA-N -1 3 380.412 0.444 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)n1cccc1 ZINC001573752237 948710072 /nfs/dbraw/zinc/71/00/72/948710072.db2.gz LRJINVLGKCTAEV-MUYACECFSA-N -1 3 380.412 0.444 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)[C@H]1CCCO1 ZINC001573753361 948717888 /nfs/dbraw/zinc/71/78/88/948717888.db2.gz RYPJUIVNAPSTNL-ZNLHFFCSSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)[C@H]1CCCO1 ZINC001573753361 948717895 /nfs/dbraw/zinc/71/78/95/948717895.db2.gz RYPJUIVNAPSTNL-ZNLHFFCSSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573753427 948719578 /nfs/dbraw/zinc/71/95/78/948719578.db2.gz UVADXFZKEZGVCU-UXOAXIEHSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573753427 948719583 /nfs/dbraw/zinc/71/95/83/948719583.db2.gz UVADXFZKEZGVCU-UXOAXIEHSA-N -1 3 379.428 0.945 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)n1cncn1 ZINC001573753988 948722898 /nfs/dbraw/zinc/72/28/98/948722898.db2.gz ZALQHTRQUIQHJM-LSJOCFKGSA-N -1 3 388.823 0.827 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)n1cncn1 ZINC001573753988 948722902 /nfs/dbraw/zinc/72/29/02/948722902.db2.gz ZALQHTRQUIQHJM-LSJOCFKGSA-N -1 3 388.823 0.827 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573753924 948723666 /nfs/dbraw/zinc/72/36/66/948723666.db2.gz YKXDPNIHTWBILN-MRBYEJRBSA-N -1 3 387.419 0.980 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573753924 948723677 /nfs/dbraw/zinc/72/36/77/948723677.db2.gz YKXDPNIHTWBILN-MRBYEJRBSA-N -1 3 387.419 0.980 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001574416068 948743999 /nfs/dbraw/zinc/74/39/99/948743999.db2.gz OMASIOHCCCHCGX-AWEZNQCLSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001574416068 948744008 /nfs/dbraw/zinc/74/40/08/948744008.db2.gz OMASIOHCCCHCGX-AWEZNQCLSA-N -1 3 382.428 0.983 20 0 GCADHM C[C@@H](C(=O)Nc1nccs1)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573754558 948744921 /nfs/dbraw/zinc/74/49/21/948744921.db2.gz HTYHDNZPFHMWSU-VIFPVBQESA-N -1 3 389.445 0.340 20 0 GCADHM C[C@@H](C(=O)Nc1nccs1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573754558 948744930 /nfs/dbraw/zinc/74/49/30/948744930.db2.gz HTYHDNZPFHMWSU-VIFPVBQESA-N -1 3 389.445 0.340 20 0 GCADHM C[C@@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574914621 948750455 /nfs/dbraw/zinc/75/04/55/948750455.db2.gz LKXAMJXXCGWIDW-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574914621 948750470 /nfs/dbraw/zinc/75/04/70/948750470.db2.gz LKXAMJXXCGWIDW-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)CCc1ccn(C)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574914502 948752588 /nfs/dbraw/zinc/75/25/88/948752588.db2.gz LDOMPOGYAZDSPQ-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CNC(=O)CCc1ccn(C)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574914502 948752600 /nfs/dbraw/zinc/75/26/00/948752600.db2.gz LDOMPOGYAZDSPQ-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001574416605 948753692 /nfs/dbraw/zinc/75/36/92/948753692.db2.gz ZLJORBYZJWHABN-AWEZNQCLSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001574416605 948753706 /nfs/dbraw/zinc/75/37/06/948753706.db2.gz ZLJORBYZJWHABN-AWEZNQCLSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001574416550 948753937 /nfs/dbraw/zinc/75/39/37/948753937.db2.gz XRMFOAFPOSSSRY-AWEZNQCLSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001574416550 948753948 /nfs/dbraw/zinc/75/39/48/948753948.db2.gz XRMFOAFPOSSSRY-AWEZNQCLSA-N -1 3 382.428 0.983 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575222784 948758222 /nfs/dbraw/zinc/75/82/22/948758222.db2.gz KAXSOFWZFFFGDX-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575222784 948758229 /nfs/dbraw/zinc/75/82/29/948758229.db2.gz KAXSOFWZFFFGDX-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575222735 948758886 /nfs/dbraw/zinc/75/88/86/948758886.db2.gz IAGJVOQDMTYBDH-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575222735 948758897 /nfs/dbraw/zinc/75/88/97/948758897.db2.gz IAGJVOQDMTYBDH-SECBINFHSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)CC1 ZINC001575223262 948761740 /nfs/dbraw/zinc/76/17/40/948761740.db2.gz MEIAEVOQDGIHTD-MNOVXSKESA-N -1 3 379.371 0.363 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)CC1 ZINC001575223262 948761747 /nfs/dbraw/zinc/76/17/47/948761747.db2.gz MEIAEVOQDGIHTD-MNOVXSKESA-N -1 3 379.371 0.363 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575223512 948768467 /nfs/dbraw/zinc/76/84/67/948768467.db2.gz CEEGBHJQCHKLIW-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575223512 948768477 /nfs/dbraw/zinc/76/84/77/948768477.db2.gz CEEGBHJQCHKLIW-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575223796 948770982 /nfs/dbraw/zinc/77/09/82/948770982.db2.gz FVVZLOOUESZCRC-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575223796 948770991 /nfs/dbraw/zinc/77/09/91/948770991.db2.gz FVVZLOOUESZCRC-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574916509 948779241 /nfs/dbraw/zinc/77/92/41/948779241.db2.gz CEOQUBIGIAZCIT-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574916509 948779257 /nfs/dbraw/zinc/77/92/57/948779257.db2.gz CEOQUBIGIAZCIT-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574916510 948780267 /nfs/dbraw/zinc/78/02/67/948780267.db2.gz CEOQUBIGIAZCIT-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574916510 948780280 /nfs/dbraw/zinc/78/02/80/948780280.db2.gz CEOQUBIGIAZCIT-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](C(N)=O)N(C)Cc1ccccc1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573755843 948788008 /nfs/dbraw/zinc/78/80/08/948788008.db2.gz TXWSVHIKCLNQQT-NSHDSACASA-N -1 3 382.428 0.430 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574916983 948796455 /nfs/dbraw/zinc/79/64/55/948796455.db2.gz NXNCRLMCEKDGAV-LLVKDONJSA-N -1 3 385.407 0.765 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574916983 948796461 /nfs/dbraw/zinc/79/64/61/948796461.db2.gz NXNCRLMCEKDGAV-LLVKDONJSA-N -1 3 385.407 0.765 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917005 948801184 /nfs/dbraw/zinc/80/11/84/948801184.db2.gz OPIWGHFEALMNTB-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1cnccn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917005 948801208 /nfs/dbraw/zinc/80/12/08/948801208.db2.gz OPIWGHFEALMNTB-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM CC(F)(F)CC(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575225396 948801684 /nfs/dbraw/zinc/80/16/84/948801684.db2.gz ABROISADGSVVLR-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)CC(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575225396 948801699 /nfs/dbraw/zinc/80/16/99/948801699.db2.gz ABROISADGSVVLR-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573756207 948801540 /nfs/dbraw/zinc/80/15/40/948801540.db2.gz NXBJFISUCRSBEH-NSHDSACASA-N -1 3 380.412 0.636 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573756207 948801565 /nfs/dbraw/zinc/80/15/65/948801565.db2.gz NXBJFISUCRSBEH-NSHDSACASA-N -1 3 380.412 0.636 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917039 948801793 /nfs/dbraw/zinc/80/17/93/948801793.db2.gz PKJZNIRRXJJFTB-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917039 948801804 /nfs/dbraw/zinc/80/18/04/948801804.db2.gz PKJZNIRRXJJFTB-GFCCVEGCSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573756225 948808124 /nfs/dbraw/zinc/80/81/24/948808124.db2.gz OIWPWQSXMKNZDI-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573756225 948808141 /nfs/dbraw/zinc/80/81/41/948808141.db2.gz OIWPWQSXMKNZDI-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)n1cccn1 ZINC001573756371 948812445 /nfs/dbraw/zinc/81/24/45/948812445.db2.gz PGMCEOIRNKALOT-WUWHUORYSA-N -1 3 383.391 0.409 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)n1cccn1 ZINC001573756371 948812459 /nfs/dbraw/zinc/81/24/59/948812459.db2.gz PGMCEOIRNKALOT-WUWHUORYSA-N -1 3 383.391 0.409 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917228 948813310 /nfs/dbraw/zinc/81/33/10/948813310.db2.gz UUFQAWQIEICKQW-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)CCc1ccncn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917228 948813320 /nfs/dbraw/zinc/81/33/20/948813320.db2.gz UUFQAWQIEICKQW-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)CC1 ZINC001575225992 948814340 /nfs/dbraw/zinc/81/43/40/948814340.db2.gz ICXKMMVDUKLNIC-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)CC1 ZINC001575225992 948814344 /nfs/dbraw/zinc/81/43/44/948814344.db2.gz ICXKMMVDUKLNIC-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)[C@@H]1CCCO1 ZINC001573756868 948823090 /nfs/dbraw/zinc/82/30/90/948823090.db2.gz UWDKZUIAPOJNNU-AMFXNCCOSA-N -1 3 387.419 0.767 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)[C@@H]1CCCO1 ZINC001573756868 948823110 /nfs/dbraw/zinc/82/31/10/948823110.db2.gz UWDKZUIAPOJNNU-AMFXNCCOSA-N -1 3 387.419 0.767 20 0 GCADHM CC(F)(F)CC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001575226619 948823227 /nfs/dbraw/zinc/82/32/27/948823227.db2.gz OGNBBXYQBKHGKG-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)CC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001575226619 948823248 /nfs/dbraw/zinc/82/32/48/948823248.db2.gz OGNBBXYQBKHGKG-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574081224 948824788 /nfs/dbraw/zinc/82/47/88/948824788.db2.gz RCLRMARWIBCOIP-HNNXBMFYSA-N -1 3 376.440 0.494 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574081224 948824804 /nfs/dbraw/zinc/82/48/04/948824804.db2.gz RCLRMARWIBCOIP-HNNXBMFYSA-N -1 3 376.440 0.494 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCC(Nc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001574081691 948834847 /nfs/dbraw/zinc/83/48/47/948834847.db2.gz VPJVFTPZQYOJFY-HNNXBMFYSA-N -1 3 391.455 0.643 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCC(Nc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001574081691 948834870 /nfs/dbraw/zinc/83/48/70/948834870.db2.gz VPJVFTPZQYOJFY-HNNXBMFYSA-N -1 3 391.455 0.643 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574918173 948837016 /nfs/dbraw/zinc/83/70/16/948837016.db2.gz GTDUHFIBEAETMI-SNVBAGLBSA-N -1 3 384.437 0.747 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574918173 948837034 /nfs/dbraw/zinc/83/70/34/948837034.db2.gz GTDUHFIBEAETMI-SNVBAGLBSA-N -1 3 384.437 0.747 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574081576 948837083 /nfs/dbraw/zinc/83/70/83/948837083.db2.gz USDHCPAWIOWAEO-YPMHNXCESA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)[C@H](F)C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574081576 948837100 /nfs/dbraw/zinc/83/71/00/948837100.db2.gz USDHCPAWIOWAEO-YPMHNXCESA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)c1cnc[nH]1 ZINC001573761350 948839632 /nfs/dbraw/zinc/83/96/32/948839632.db2.gz HNNFDRXXCKFVFW-LLVKDONJSA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)c1cnc[nH]1 ZINC001573761350 948839662 /nfs/dbraw/zinc/83/96/62/948839662.db2.gz HNNFDRXXCKFVFW-LLVKDONJSA-N -1 3 382.432 0.618 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccnc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918286 948840288 /nfs/dbraw/zinc/84/02/88/948840288.db2.gz IKVPPFQQLNXDJH-GFCCVEGCSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccnc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918286 948840312 /nfs/dbraw/zinc/84/03/12/948840312.db2.gz IKVPPFQQLNXDJH-GFCCVEGCSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@H](CNC(=O)CCCN1C(=O)CCC1=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574918557 948848261 /nfs/dbraw/zinc/84/82/61/948848261.db2.gz NKYCWGXTUJBYRK-LLVKDONJSA-N -1 3 386.416 0.108 20 0 GCADHM C[C@H](CNC(=O)CCCN1C(=O)CCC1=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574918557 948848278 /nfs/dbraw/zinc/84/82/78/948848278.db2.gz NKYCWGXTUJBYRK-LLVKDONJSA-N -1 3 386.416 0.108 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574918578 948855243 /nfs/dbraw/zinc/85/52/43/948855243.db2.gz NYGIEVWUSIRUBK-ZDUSSCGKSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574918578 948855264 /nfs/dbraw/zinc/85/52/64/948855264.db2.gz NYGIEVWUSIRUBK-ZDUSSCGKSA-N -1 3 382.428 0.820 20 0 GCADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573762692 948858017 /nfs/dbraw/zinc/85/80/17/948858017.db2.gz YIVMNKUBWCQPBF-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573762692 948858036 /nfs/dbraw/zinc/85/80/36/948858036.db2.gz YIVMNKUBWCQPBF-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1CCNC1=O ZINC001574684253 948858781 /nfs/dbraw/zinc/85/87/81/948858781.db2.gz CHYMATDQCFQKEM-ZJUUUORDSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1CCNC1=O ZINC001574684253 948858800 /nfs/dbraw/zinc/85/88/00/948858800.db2.gz CHYMATDQCFQKEM-ZJUUUORDSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccnc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574918804 948860893 /nfs/dbraw/zinc/86/08/93/948860893.db2.gz QUUNZTQEZOKRJD-LBPRGKRZSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccnc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574918804 948860911 /nfs/dbraw/zinc/86/09/11/948860911.db2.gz QUUNZTQEZOKRJD-LBPRGKRZSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574684093 948861587 /nfs/dbraw/zinc/86/15/87/948861587.db2.gz BMQSYRRZOFFOLO-SKDRFNHKSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574684093 948861605 /nfs/dbraw/zinc/86/16/05/948861605.db2.gz BMQSYRRZOFFOLO-SKDRFNHKSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574684291 948865833 /nfs/dbraw/zinc/86/58/33/948865833.db2.gz DEVCBFZZFVTASC-UWVGGRQHSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574684291 948865847 /nfs/dbraw/zinc/86/58/47/948865847.db2.gz DEVCBFZZFVTASC-UWVGGRQHSA-N -1 3 392.851 0.748 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)N1CCOCC1 ZINC001573763154 948867615 /nfs/dbraw/zinc/86/76/15/948867615.db2.gz CBNVUTLFZFFKLG-AWEZNQCLSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)N1CCOCC1 ZINC001573763154 948867643 /nfs/dbraw/zinc/86/76/43/948867643.db2.gz CBNVUTLFZFFKLG-AWEZNQCLSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1c[nH]c(=O)n1C ZINC001574684473 948868617 /nfs/dbraw/zinc/86/86/17/948868617.db2.gz HDDXAALQLBFBQH-MRVPVSSYSA-N -1 3 391.823 0.975 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1c[nH]c(=O)n1C ZINC001574684473 948868633 /nfs/dbraw/zinc/86/86/33/948868633.db2.gz HDDXAALQLBFBQH-MRVPVSSYSA-N -1 3 391.823 0.975 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574919239 948871985 /nfs/dbraw/zinc/87/19/85/948871985.db2.gz XBFXOQLENXZXCC-LLVKDONJSA-N -1 3 381.462 0.027 20 0 GCADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574919239 948872003 /nfs/dbraw/zinc/87/20/03/948872003.db2.gz XBFXOQLENXZXCC-LLVKDONJSA-N -1 3 381.462 0.027 20 0 GCADHM CC(C)(C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nn2)CC1)c1cnc[nH]1 ZINC001573763465 948874164 /nfs/dbraw/zinc/87/41/64/948874164.db2.gz FQWAMJAIMGZDMR-UHFFFAOYSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nn2)CC1)c1cnc[nH]1 ZINC001573763465 948874183 /nfs/dbraw/zinc/87/41/83/948874183.db2.gz FQWAMJAIMGZDMR-UHFFFAOYSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)c1nnc(CN2CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001574425527 948876215 /nfs/dbraw/zinc/87/62/15/948876215.db2.gz HYVIYRHEDJNPOQ-GFCCVEGCSA-N -1 3 384.448 0.831 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574684795 948886267 /nfs/dbraw/zinc/88/62/67/948886267.db2.gz MUEDPOLGGUTCGM-ONGXEEELSA-N -1 3 376.396 0.376 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574684795 948886281 /nfs/dbraw/zinc/88/62/81/948886281.db2.gz MUEDPOLGGUTCGM-ONGXEEELSA-N -1 3 376.396 0.376 20 0 GCADHM CC(C)(C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573764681 948895872 /nfs/dbraw/zinc/89/58/72/948895872.db2.gz QCGSCVAKJDVYOX-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573764681 948895897 /nfs/dbraw/zinc/89/58/97/948895897.db2.gz QCGSCVAKJDVYOX-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1COCCO1 ZINC001574684989 948897689 /nfs/dbraw/zinc/89/76/89/948897689.db2.gz QNXROWWEBRPLNQ-CABZTGNLSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1COCCO1 ZINC001574684989 948897714 /nfs/dbraw/zinc/89/77/14/948897714.db2.gz QNXROWWEBRPLNQ-CABZTGNLSA-N -1 3 381.824 0.637 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1ncn(C)n1 ZINC001574685017 948900027 /nfs/dbraw/zinc/90/00/27/948900027.db2.gz RDLCYOMQNJUSHY-QMMMGPOBSA-N -1 3 376.812 0.664 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1ncn(C)n1 ZINC001574685017 948900041 /nfs/dbraw/zinc/90/00/41/948900041.db2.gz RDLCYOMQNJUSHY-QMMMGPOBSA-N -1 3 376.812 0.664 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1CC(CO)(CO)C1 ZINC001574083899 948900254 /nfs/dbraw/zinc/90/02/54/948900254.db2.gz ZZOBVQAJUHWAIO-HNNXBMFYSA-N -1 3 375.429 0.520 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1CC(CO)(CO)C1 ZINC001574083899 948900263 /nfs/dbraw/zinc/90/02/63/948900263.db2.gz ZZOBVQAJUHWAIO-HNNXBMFYSA-N -1 3 375.429 0.520 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)C[C@H]1CCNC1=O ZINC001574685256 948905732 /nfs/dbraw/zinc/90/57/32/948905732.db2.gz UIEKZJFMPQIPNQ-NXEZZACHSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)C[C@H]1CCNC1=O ZINC001574685256 948905745 /nfs/dbraw/zinc/90/57/45/948905745.db2.gz UIEKZJFMPQIPNQ-NXEZZACHSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920615 948905811 /nfs/dbraw/zinc/90/58/11/948905811.db2.gz NACYAQIEETWERB-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920615 948905829 /nfs/dbraw/zinc/90/58/29/948905829.db2.gz NACYAQIEETWERB-NSHDSACASA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920496 948907341 /nfs/dbraw/zinc/90/73/41/948907341.db2.gz MTJFUNIYKXWOQV-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1cncnc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920496 948907348 /nfs/dbraw/zinc/90/73/48/948907348.db2.gz MTJFUNIYKXWOQV-LLVKDONJSA-N -1 3 383.416 0.100 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920631 948907549 /nfs/dbraw/zinc/90/75/49/948907549.db2.gz NHLRDGMYKXTGEG-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920631 948907561 /nfs/dbraw/zinc/90/75/61/948907561.db2.gz NHLRDGMYKXTGEG-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)(C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC001573765401 948911001 /nfs/dbraw/zinc/91/10/01/948911001.db2.gz CHEOYMDDRXIYSN-UHFFFAOYSA-N -1 3 386.460 0.021 20 0 GCADHM CC(C)(C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC001573765401 948911016 /nfs/dbraw/zinc/91/10/16/948911016.db2.gz CHEOYMDDRXIYSN-UHFFFAOYSA-N -1 3 386.460 0.021 20 0 GCADHM CC(C)c1nc(CN[C@H]2C[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001574427821 948914688 /nfs/dbraw/zinc/91/46/88/948914688.db2.gz QYBGQSNDLKOBLS-XYPYZODXSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001574427821 948914698 /nfs/dbraw/zinc/91/46/98/948914698.db2.gz QYBGQSNDLKOBLS-XYPYZODXSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574685649 948915896 /nfs/dbraw/zinc/91/58/96/948915896.db2.gz YLMCRBOJMWCUPQ-WDEREUQCSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574685649 948915909 /nfs/dbraw/zinc/91/59/09/948915909.db2.gz YLMCRBOJMWCUPQ-WDEREUQCSA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)c1cnc[nH]1 ZINC001573765611 948916754 /nfs/dbraw/zinc/91/67/54/948916754.db2.gz SDHHSRSKMBQMIL-LLVKDONJSA-N -1 3 382.432 0.182 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574921143 948917507 /nfs/dbraw/zinc/91/75/07/948917507.db2.gz TWQPVBOSTPYOMC-NSHDSACASA-N -1 3 385.407 0.988 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncnc1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574921143 948917519 /nfs/dbraw/zinc/91/75/19/948917519.db2.gz TWQPVBOSTPYOMC-NSHDSACASA-N -1 3 385.407 0.988 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1CCCNC1=O ZINC001574685710 948919090 /nfs/dbraw/zinc/91/90/90/948919090.db2.gz AEGRHTDGOMJWRS-JTQLQIEISA-N -1 3 391.411 0.123 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1CCCNC1=O ZINC001574685710 948919101 /nfs/dbraw/zinc/91/91/01/948919101.db2.gz AEGRHTDGOMJWRS-JTQLQIEISA-N -1 3 391.411 0.123 20 0 GCADHM CC(C)(C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cnc[nH]1 ZINC001573765673 948920564 /nfs/dbraw/zinc/92/05/64/948920564.db2.gz WQLBDUNUISZDPD-UHFFFAOYSA-N -1 3 383.416 0.180 20 0 GCADHM CC(C)(C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573765732 948922606 /nfs/dbraw/zinc/92/26/06/948922606.db2.gz AUMXCNCUSJCBSH-UHFFFAOYSA-N -1 3 377.474 0.506 20 0 GCADHM CC(C)(C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573765732 948922621 /nfs/dbraw/zinc/92/26/21/948922621.db2.gz AUMXCNCUSJCBSH-UHFFFAOYSA-N -1 3 377.474 0.506 20 0 GCADHM CC(C)(C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573765771 948922780 /nfs/dbraw/zinc/92/27/80/948922780.db2.gz FKYGRQQCUGCZJY-ZIAGYGMSSA-N -1 3 388.403 0.399 20 0 GCADHM CC(C)(C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573765771 948922789 /nfs/dbraw/zinc/92/27/89/948922789.db2.gz FKYGRQQCUGCZJY-ZIAGYGMSSA-N -1 3 388.403 0.399 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)c1cnc[nH]1 ZINC001573765759 948922875 /nfs/dbraw/zinc/92/28/75/948922875.db2.gz DTGKDQZJWBHGAO-STQMWFEESA-N -1 3 379.428 0.752 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)c1cnc[nH]1 ZINC001573765759 948922889 /nfs/dbraw/zinc/92/28/89/948922889.db2.gz DTGKDQZJWBHGAO-STQMWFEESA-N -1 3 379.428 0.752 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574921446 948923516 /nfs/dbraw/zinc/92/35/16/948923516.db2.gz XOKNRRAANXGDGI-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574921446 948923525 /nfs/dbraw/zinc/92/35/25/948923525.db2.gz XOKNRRAANXGDGI-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573765785 948924657 /nfs/dbraw/zinc/92/46/57/948924657.db2.gz GSWCYDAQHSQLBY-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573765785 948924665 /nfs/dbraw/zinc/92/46/65/948924665.db2.gz GSWCYDAQHSQLBY-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cccn(C)c1=O ZINC001574685980 948925019 /nfs/dbraw/zinc/92/50/19/948925019.db2.gz CMOJSLHRFPGTRO-JTQLQIEISA-N -1 3 386.391 0.720 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cccn(C)c1=O ZINC001574685980 948925032 /nfs/dbraw/zinc/92/50/32/948925032.db2.gz CMOJSLHRFPGTRO-JTQLQIEISA-N -1 3 386.391 0.720 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574921463 948926328 /nfs/dbraw/zinc/92/63/28/948926328.db2.gz YEZZFDABUDZFKM-LLVKDONJSA-N -1 3 385.407 0.988 20 0 GCADHM C[C@H](CNC(=O)CCc1ncccn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574921463 948926339 /nfs/dbraw/zinc/92/63/39/948926339.db2.gz YEZZFDABUDZFKM-LLVKDONJSA-N -1 3 385.407 0.988 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574431880 948927167 /nfs/dbraw/zinc/92/71/67/948927167.db2.gz DAUKVIGIHLZFAB-NEPJUHHUSA-N -1 3 384.448 0.404 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574431886 948928339 /nfs/dbraw/zinc/92/83/39/948928339.db2.gz DAUKVIGIHLZFAB-VXGBXAGGSA-N -1 3 384.448 0.404 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574432244 948929109 /nfs/dbraw/zinc/92/91/09/948929109.db2.gz GNTSCBWSHJMEIG-LLVKDONJSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574432244 948929121 /nfs/dbraw/zinc/92/91/21/948929121.db2.gz GNTSCBWSHJMEIG-LLVKDONJSA-N -1 3 383.416 0.378 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574432250 948929634 /nfs/dbraw/zinc/92/96/34/948929634.db2.gz GRCFDXZFJJJABV-CQSZACIVSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574431884 948929867 /nfs/dbraw/zinc/92/98/67/948929867.db2.gz DAUKVIGIHLZFAB-RYUDHWBXSA-N -1 3 384.448 0.404 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)c1cnc[nH]1 ZINC001573766002 948930317 /nfs/dbraw/zinc/93/03/17/948930317.db2.gz SRXAXZWDNQHKAN-QWRGUYRKSA-N -1 3 380.416 0.147 20 0 GCADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)c1cnc[nH]1 ZINC001573766002 948930321 /nfs/dbraw/zinc/93/03/21/948930321.db2.gz SRXAXZWDNQHKAN-QWRGUYRKSA-N -1 3 380.416 0.147 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001574432255 948932445 /nfs/dbraw/zinc/93/24/45/948932445.db2.gz GTBLPMBALPPXFH-LBPRGKRZSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001574432255 948932455 /nfs/dbraw/zinc/93/24/55/948932455.db2.gz GTBLPMBALPPXFH-LBPRGKRZSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574432271 948933639 /nfs/dbraw/zinc/93/36/39/948933639.db2.gz IAHILPXCPOIOPO-UHFFFAOYSA-N -1 3 381.444 0.930 20 0 GCADHM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574923132 948935485 /nfs/dbraw/zinc/93/54/85/948935485.db2.gz FHDKHHWZAARDFI-VIFPVBQESA-N -1 3 391.823 0.370 20 0 GCADHM C[C@@H](CNC(=O)CCn1cc(Cl)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574923132 948935493 /nfs/dbraw/zinc/93/54/93/948935493.db2.gz FHDKHHWZAARDFI-VIFPVBQESA-N -1 3 391.823 0.370 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001574089047 948940796 /nfs/dbraw/zinc/94/07/96/948940796.db2.gz FVLMCUQZLNXBAR-GJZGRUSLSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001574089047 948940804 /nfs/dbraw/zinc/94/08/04/948940804.db2.gz FVLMCUQZLNXBAR-GJZGRUSLSA-N -1 3 388.447 0.961 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001574687160 948948019 /nfs/dbraw/zinc/94/80/19/948948019.db2.gz NZCCEUFDVWHJER-QMMMGPOBSA-N -1 3 387.379 0.448 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001574687160 948948029 /nfs/dbraw/zinc/94/80/29/948948029.db2.gz NZCCEUFDVWHJER-QMMMGPOBSA-N -1 3 387.379 0.448 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CCN1CCOCC1 ZINC001574687404 948950226 /nfs/dbraw/zinc/95/02/26/948950226.db2.gz OTWLLLIAYMBJNI-LBPRGKRZSA-N -1 3 392.439 0.430 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CCN1CCOCC1 ZINC001574687404 948950232 /nfs/dbraw/zinc/95/02/32/948950232.db2.gz OTWLLLIAYMBJNI-LBPRGKRZSA-N -1 3 392.439 0.430 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573771896 948950785 /nfs/dbraw/zinc/95/07/85/948950785.db2.gz NVOXGAUAJGRFEB-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573771896 948950793 /nfs/dbraw/zinc/95/07/93/948950793.db2.gz NVOXGAUAJGRFEB-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574433331 948952413 /nfs/dbraw/zinc/95/24/13/948952413.db2.gz UTNCCUZSAYXEBU-CYBMUJFWSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574433331 948952415 /nfs/dbraw/zinc/95/24/15/948952415.db2.gz UTNCCUZSAYXEBU-CYBMUJFWSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574089344 948953878 /nfs/dbraw/zinc/95/38/78/948953878.db2.gz JFIAOBQMJDBCMK-XIKOKIGWSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574089344 948953885 /nfs/dbraw/zinc/95/38/85/948953885.db2.gz JFIAOBQMJDBCMK-XIKOKIGWSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCO1 ZINC001574089501 948956091 /nfs/dbraw/zinc/95/60/91/948956091.db2.gz FCWYECIIWIACHJ-NHYWBVRUSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCO1 ZINC001574089501 948956104 /nfs/dbraw/zinc/95/61/04/948956104.db2.gz FCWYECIIWIACHJ-NHYWBVRUSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)CCn1cnnn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574923666 948957477 /nfs/dbraw/zinc/95/74/77/948957477.db2.gz QSLZGSIHCJFPLB-NSHDSACASA-N -1 3 388.411 0.019 20 0 GCADHM CC(C)(C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)N1CCOCC1 ZINC001573772361 948958503 /nfs/dbraw/zinc/95/85/03/948958503.db2.gz ATFRLUVZJZHJKZ-UHFFFAOYSA-N -1 3 391.501 0.339 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574688388 948959663 /nfs/dbraw/zinc/95/96/63/948959663.db2.gz USLUXIZKVSOLSC-AXFHLTTASA-N -1 3 390.423 0.609 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574688388 948959676 /nfs/dbraw/zinc/95/96/76/948959676.db2.gz USLUXIZKVSOLSC-AXFHLTTASA-N -1 3 390.423 0.609 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574433589 948960259 /nfs/dbraw/zinc/96/02/59/948960259.db2.gz XTQRQKIAQIYMGS-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574433589 948960272 /nfs/dbraw/zinc/96/02/72/948960272.db2.gz XTQRQKIAQIYMGS-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573772425 948961787 /nfs/dbraw/zinc/96/17/87/948961787.db2.gz BQTLTQVSHNXFQN-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573772425 948961802 /nfs/dbraw/zinc/96/18/02/948961802.db2.gz BQTLTQVSHNXFQN-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)c1nnc(CN2CC([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001574433768 948963067 /nfs/dbraw/zinc/96/30/67/948963067.db2.gz PRBGNSOCDFJASW-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN2CC([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001574433768 948963081 /nfs/dbraw/zinc/96/30/81/948963081.db2.gz PRBGNSOCDFJASW-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001574433654 948963249 /nfs/dbraw/zinc/96/32/49/948963249.db2.gz ZUERRYBVBYOYIL-ZDUSSCGKSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001574433654 948963264 /nfs/dbraw/zinc/96/32/64/948963264.db2.gz ZUERRYBVBYOYIL-ZDUSSCGKSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)c1nnc(CN2CC([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001574433767 948963450 /nfs/dbraw/zinc/96/34/50/948963450.db2.gz PRBGNSOCDFJASW-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN2CC([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001574433767 948963463 /nfs/dbraw/zinc/96/34/63/948963463.db2.gz PRBGNSOCDFJASW-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574089766 948965467 /nfs/dbraw/zinc/96/54/67/948965467.db2.gz KNKRLCXREBHHSS-FZKQIMNGSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574089766 948965480 /nfs/dbraw/zinc/96/54/80/948965480.db2.gz KNKRLCXREBHHSS-FZKQIMNGSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574089926 948969240 /nfs/dbraw/zinc/96/92/40/948969240.db2.gz JIVBGXGOIVXINR-JKSUJKDBSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574089926 948969251 /nfs/dbraw/zinc/96/92/51/948969251.db2.gz JIVBGXGOIVXINR-JKSUJKDBSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)c1nnc(CN[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)o1 ZINC001574434023 948973185 /nfs/dbraw/zinc/97/31/85/948973185.db2.gz CXUCXTKXMCCQNY-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001574433994 948973998 /nfs/dbraw/zinc/97/39/98/948973998.db2.gz BRYSOHFMNVDBIZ-NSHDSACASA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001574433994 948974013 /nfs/dbraw/zinc/97/40/13/948974013.db2.gz BRYSOHFMNVDBIZ-NSHDSACASA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCO1 ZINC001574090012 948974000 /nfs/dbraw/zinc/97/40/00/948974000.db2.gz HFSUYUKQXPPMNS-NHYWBVRUSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCO1 ZINC001574090012 948974011 /nfs/dbraw/zinc/97/40/11/948974011.db2.gz HFSUYUKQXPPMNS-NHYWBVRUSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573773171 948975535 /nfs/dbraw/zinc/97/55/35/948975535.db2.gz IOWVGWZGRCDVAQ-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573773171 948975550 /nfs/dbraw/zinc/97/55/50/948975550.db2.gz IOWVGWZGRCDVAQ-LLVKDONJSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cn1)[C@@H]2C ZINC001574434276 948976936 /nfs/dbraw/zinc/97/69/36/948976936.db2.gz GHDRLLXUKUBOKK-SNVBAGLBSA-N -1 3 389.445 0.742 20 0 GCADHM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cn1)[C@@H]2C ZINC001574434276 948976944 /nfs/dbraw/zinc/97/69/44/948976944.db2.gz GHDRLLXUKUBOKK-SNVBAGLBSA-N -1 3 389.445 0.742 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573773173 948977619 /nfs/dbraw/zinc/97/76/19/948977619.db2.gz IOWVGWZGRCDVAQ-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573773173 948977630 /nfs/dbraw/zinc/97/76/30/948977630.db2.gz IOWVGWZGRCDVAQ-NSHDSACASA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C1CC1 ZINC001573773296 948980381 /nfs/dbraw/zinc/98/03/81/948980381.db2.gz JNWLUUTZQZRHRJ-RISCZKNCSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C1CC1 ZINC001573773296 948980397 /nfs/dbraw/zinc/98/03/97/948980397.db2.gz JNWLUUTZQZRHRJ-RISCZKNCSA-N -1 3 387.444 0.323 20 0 GCADHM CC(F)(F)CN1CCN(C[C@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001575242138 948981760 /nfs/dbraw/zinc/98/17/60/948981760.db2.gz HCEQEHPQYNYGIH-ZDUSSCGKSA-N -1 3 382.415 0.879 20 0 GCADHM CC(F)(F)CN1CCN(C[C@H](O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC001575242138 948981765 /nfs/dbraw/zinc/98/17/65/948981765.db2.gz HCEQEHPQYNYGIH-ZDUSSCGKSA-N -1 3 382.415 0.879 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574090352 948984572 /nfs/dbraw/zinc/98/45/72/948984572.db2.gz ITLRGAGLYKMMCH-STQMWFEESA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574090352 948984585 /nfs/dbraw/zinc/98/45/85/948984585.db2.gz ITLRGAGLYKMMCH-STQMWFEESA-N -1 3 387.444 0.180 20 0 GCADHM CC(F)(F)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001575242224 948984767 /nfs/dbraw/zinc/98/47/67/948984767.db2.gz IDAQPZLSPVYKIE-UHFFFAOYSA-N -1 3 390.391 0.967 20 0 GCADHM C[C@H](CNC(=O)CN(C)CC(C)(C)C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574926187 948991028 /nfs/dbraw/zinc/99/10/28/948991028.db2.gz KENZBBJYKBZQTI-LBPRGKRZSA-N -1 3 375.481 0.221 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCCO1 ZINC001573774027 948995655 /nfs/dbraw/zinc/99/56/55/948995655.db2.gz PGXNYSQPPXGCHB-CQSZACIVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCCO1 ZINC001573774027 948995664 /nfs/dbraw/zinc/99/56/64/948995664.db2.gz PGXNYSQPPXGCHB-CQSZACIVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001574689968 948995742 /nfs/dbraw/zinc/99/57/42/948995742.db2.gz MSPJXDCBGREEEI-OCCSQVGLSA-N -1 3 386.460 0.968 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001574689968 948995755 /nfs/dbraw/zinc/99/57/55/948995755.db2.gz MSPJXDCBGREEEI-OCCSQVGLSA-N -1 3 386.460 0.968 20 0 GCADHM CC(C)c1nnc(CN[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)s1 ZINC001574435660 948998884 /nfs/dbraw/zinc/99/88/84/948998884.db2.gz XOFBRHXQTKTLGG-VIFPVBQESA-N -1 3 391.461 0.050 20 0 GCADHM CC(C)c1nnc(CN[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)s1 ZINC001574435660 948998904 /nfs/dbraw/zinc/99/89/04/948998904.db2.gz XOFBRHXQTKTLGG-VIFPVBQESA-N -1 3 391.461 0.050 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cccc(C(N)=O)n1 ZINC001574690361 949000096 /nfs/dbraw/zinc/00/00/96/949000096.db2.gz OJTIHICNDFUFHU-JTQLQIEISA-N -1 3 381.400 0.376 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cccc(C(N)=O)n1 ZINC001574690361 949000114 /nfs/dbraw/zinc/00/01/14/949000114.db2.gz OJTIHICNDFUFHU-JTQLQIEISA-N -1 3 381.400 0.376 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574926465 949001703 /nfs/dbraw/zinc/00/17/03/949001703.db2.gz RIFRBFPNHMBNRO-NSHDSACASA-N -1 3 390.423 0.720 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574926465 949001716 /nfs/dbraw/zinc/00/17/16/949001716.db2.gz RIFRBFPNHMBNRO-NSHDSACASA-N -1 3 390.423 0.720 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439512 949006813 /nfs/dbraw/zinc/00/68/13/949006813.db2.gz GFAUDEKDBJLXQQ-NXEZZACHSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439512 949006829 /nfs/dbraw/zinc/00/68/29/949006829.db2.gz GFAUDEKDBJLXQQ-NXEZZACHSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@H](CNC(=O)CN(C)Cc1ccccc1)Nc1nccnc1-c1nnn[n-]1 ZINC001574926546 949006892 /nfs/dbraw/zinc/00/68/92/949006892.db2.gz UJFWGWNQZOSRKE-CYBMUJFWSA-N -1 3 381.444 0.705 20 0 GCADHM C[C@H](CNC(=O)CN(C)Cc1ccccc1)Nc1nccnc1-c1nn[n-]n1 ZINC001574926546 949006906 /nfs/dbraw/zinc/00/69/06/949006906.db2.gz UJFWGWNQZOSRKE-CYBMUJFWSA-N -1 3 381.444 0.705 20 0 GCADHM C[C@H](F)CCN1CC2(C1)CC[C@H](CNC(=O)c1ccc(-c3nn[n-]n3)[nH]1)O2 ZINC001575244190 949010992 /nfs/dbraw/zinc/01/09/92/949010992.db2.gz XKNHUHGDBNBCKY-NWDGAFQWSA-N -1 3 377.424 0.906 20 0 GCADHM CC(C)(C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1)N1CCOCC1 ZINC001573774563 949011605 /nfs/dbraw/zinc/01/16/05/949011605.db2.gz VQBSECKWSLIRTD-UHFFFAOYSA-N -1 3 385.472 0.278 20 0 GCADHM CC(C)(C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1)N1CCOCC1 ZINC001573774563 949011623 /nfs/dbraw/zinc/01/16/23/949011623.db2.gz VQBSECKWSLIRTD-UHFFFAOYSA-N -1 3 385.472 0.278 20 0 GCADHM CC(C)c1noc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439552 949013523 /nfs/dbraw/zinc/01/35/23/949013523.db2.gz HECXUPYBTANYMU-QWRGUYRKSA-N -1 3 383.416 0.800 20 0 GCADHM CC(C)c1noc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439552 949013539 /nfs/dbraw/zinc/01/35/39/949013539.db2.gz HECXUPYBTANYMU-QWRGUYRKSA-N -1 3 383.416 0.800 20 0 GCADHM C[C@@H](Sc1nc(CC(=O)Nc2ccncc2-c2nnn[n-]2)cs1)C(N)=O ZINC001575501379 949013722 /nfs/dbraw/zinc/01/37/22/949013722.db2.gz HKGKTJFQNJDNDM-SSDOTTSWSA-N -1 3 390.454 0.287 20 0 GCADHM C[C@@H](Sc1nc(CC(=O)Nc2ccncc2-c2nn[n-]n2)cs1)C(N)=O ZINC001575501379 949013741 /nfs/dbraw/zinc/01/37/41/949013741.db2.gz HKGKTJFQNJDNDM-SSDOTTSWSA-N -1 3 390.454 0.287 20 0 GCADHM CC(C)c1noc(CNC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)n1 ZINC001574440125 949022146 /nfs/dbraw/zinc/02/21/46/949022146.db2.gz NXQUECMFQNDUIA-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CNC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)n1 ZINC001574440125 949022165 /nfs/dbraw/zinc/02/21/65/949022165.db2.gz NXQUECMFQNDUIA-ZDUSSCGKSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575502219 949022553 /nfs/dbraw/zinc/02/25/53/949022553.db2.gz IYWBEYNIEABQEX-NWDGAFQWSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575502219 949022574 /nfs/dbraw/zinc/02/25/74/949022574.db2.gz IYWBEYNIEABQEX-NWDGAFQWSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1noc2c1COCC2 ZINC001574691655 949024954 /nfs/dbraw/zinc/02/49/54/949024954.db2.gz YCXWIHQWZZBULK-JTQLQIEISA-N -1 3 384.400 0.943 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1noc2c1COCC2 ZINC001574691655 949024969 /nfs/dbraw/zinc/02/49/69/949024969.db2.gz YCXWIHQWZZBULK-JTQLQIEISA-N -1 3 384.400 0.943 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574440114 949025229 /nfs/dbraw/zinc/02/52/29/949025229.db2.gz NSSOMTCLPOMMHR-SNVBAGLBSA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574440114 949025248 /nfs/dbraw/zinc/02/52/48/949025248.db2.gz NSSOMTCLPOMMHR-SNVBAGLBSA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574440082 949025291 /nfs/dbraw/zinc/02/52/91/949025291.db2.gz MRKBLJCDUQUAFI-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM CC(C)c1nnsc1C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574440082 949025311 /nfs/dbraw/zinc/02/53/11/949025311.db2.gz MRKBLJCDUQUAFI-UHFFFAOYSA-N -1 3 387.429 0.424 20 0 GCADHM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001574691421 949028287 /nfs/dbraw/zinc/02/82/87/949028287.db2.gz XLJJBGDZPZLDIK-ZJUUUORDSA-N -1 3 383.420 0.202 20 0 GCADHM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001574691421 949028307 /nfs/dbraw/zinc/02/83/07/949028307.db2.gz XLJJBGDZPZLDIK-ZJUUUORDSA-N -1 3 383.420 0.202 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1ccc(C(N)=O)nc1 ZINC001574691778 949030000 /nfs/dbraw/zinc/03/00/00/949030000.db2.gz YNDPRXDJYVZBCS-JTQLQIEISA-N -1 3 381.400 0.376 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1ccc(C(N)=O)nc1 ZINC001574691778 949030020 /nfs/dbraw/zinc/03/00/20/949030020.db2.gz YNDPRXDJYVZBCS-JTQLQIEISA-N -1 3 381.400 0.376 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cnn2c1OCCC2 ZINC001574691883 949034000 /nfs/dbraw/zinc/03/40/00/949034000.db2.gz ZESOMODMNGLEPY-NSHDSACASA-N -1 3 383.416 0.861 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cnn2c1OCCC2 ZINC001574691883 949034021 /nfs/dbraw/zinc/03/40/21/949034021.db2.gz ZESOMODMNGLEPY-NSHDSACASA-N -1 3 383.416 0.861 20 0 GCADHM CC(C)c1noc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574440595 949035179 /nfs/dbraw/zinc/03/51/79/949035179.db2.gz UIESPUVROBOIRF-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574440595 949035197 /nfs/dbraw/zinc/03/51/97/949035197.db2.gz UIESPUVROBOIRF-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCCO1 ZINC001573775281 949038475 /nfs/dbraw/zinc/03/84/75/949038475.db2.gz VPFXNXACEZFIOR-KBPBESRZSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCCO1 ZINC001573775281 949038493 /nfs/dbraw/zinc/03/84/93/949038493.db2.gz VPFXNXACEZFIOR-KBPBESRZSA-N -1 3 389.460 0.746 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574927454 949039699 /nfs/dbraw/zinc/03/96/99/949039699.db2.gz IZWIVFRCVJZYLR-GFCCVEGCSA-N -1 3 388.476 0.978 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574927454 949039685 /nfs/dbraw/zinc/03/96/85/949039685.db2.gz IZWIVFRCVJZYLR-GFCCVEGCSA-N -1 3 388.476 0.978 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575503360 949044677 /nfs/dbraw/zinc/04/46/77/949044677.db2.gz PCDZULATGAKTTC-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575503360 949044696 /nfs/dbraw/zinc/04/46/96/949044696.db2.gz PCDZULATGAKTTC-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCCO1 ZINC001573775532 949045918 /nfs/dbraw/zinc/04/59/18/949045918.db2.gz YSCWWEZVNJAGTI-DZGCQCFKSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCCO1 ZINC001573775532 949045937 /nfs/dbraw/zinc/04/59/37/949045937.db2.gz YSCWWEZVNJAGTI-DZGCQCFKSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)c1c[nH]cn1 ZINC001573779306 949057894 /nfs/dbraw/zinc/05/78/94/949057894.db2.gz GWSVYJUDESTUTD-UHFFFAOYSA-N -1 3 382.432 0.664 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575504057 949058989 /nfs/dbraw/zinc/05/89/89/949058989.db2.gz RHYSGQASDQVMQK-DGCLKSJQSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575504057 949059005 /nfs/dbraw/zinc/05/90/05/949059005.db2.gz RHYSGQASDQVMQK-DGCLKSJQSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575504379 949066608 /nfs/dbraw/zinc/06/66/08/949066608.db2.gz QVKKIPBSQHNFPN-UHNFBRDESA-N -1 3 385.403 0.870 20 0 GCADHM C[C@H](c1ccc(F)cc1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575504379 949066626 /nfs/dbraw/zinc/06/66/26/949066626.db2.gz QVKKIPBSQHNFPN-UHNFBRDESA-N -1 3 385.403 0.870 20 0 GCADHM CC(C)c1nsc(NC[C@H](O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574441603 949068369 /nfs/dbraw/zinc/06/83/69/949068369.db2.gz OXFDQOZDTVCZFY-VIFPVBQESA-N -1 3 391.461 0.715 20 0 GCADHM CC(C)c1nsc(NC[C@H](O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574441603 949068393 /nfs/dbraw/zinc/06/83/93/949068393.db2.gz OXFDQOZDTVCZFY-VIFPVBQESA-N -1 3 391.461 0.715 20 0 GCADHM CC(C)c1nsc(N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574441762 949072244 /nfs/dbraw/zinc/07/22/44/949072244.db2.gz WGVYKEFLMVPALL-SECBINFHSA-N -1 3 377.434 0.373 20 0 GCADHM CC(C)c1nsc(N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574441762 949072263 /nfs/dbraw/zinc/07/22/63/949072263.db2.gz WGVYKEFLMVPALL-SECBINFHSA-N -1 3 377.434 0.373 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574929027 949073825 /nfs/dbraw/zinc/07/38/25/949073825.db2.gz WBHGJFZXCRVSHW-GFCCVEGCSA-N -1 3 380.412 0.608 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccccc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574929027 949073846 /nfs/dbraw/zinc/07/38/46/949073846.db2.gz WBHGJFZXCRVSHW-GFCCVEGCSA-N -1 3 380.412 0.608 20 0 GCADHM CC(C)(C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)c1c[nH]cn1 ZINC001573779914 949075219 /nfs/dbraw/zinc/07/52/19/949075219.db2.gz PLRWBWUSCFCNGK-UHFFFAOYSA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)c1nsc(CNC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574441779 949077791 /nfs/dbraw/zinc/07/77/91/949077791.db2.gz XAUWTNFWTWGSDY-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574929080 949077706 /nfs/dbraw/zinc/07/77/06/949077706.db2.gz XPIQUOKEDPZZSU-LBPRGKRZSA-N -1 3 387.448 0.008 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574929080 949077725 /nfs/dbraw/zinc/07/77/25/949077725.db2.gz XPIQUOKEDPZZSU-LBPRGKRZSA-N -1 3 387.448 0.008 20 0 GCADHM CC(C)c1nsc(CNC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574441779 949077805 /nfs/dbraw/zinc/07/78/05/949077805.db2.gz XAUWTNFWTWGSDY-SNVBAGLBSA-N -1 3 391.461 0.050 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574694546 949080738 /nfs/dbraw/zinc/08/07/38/949080738.db2.gz RHHZMMNWQSEZJD-JTQLQIEISA-N -1 3 381.462 0.344 20 0 GCADHM C[C@@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574694546 949080752 /nfs/dbraw/zinc/08/07/52/949080752.db2.gz RHHZMMNWQSEZJD-JTQLQIEISA-N -1 3 381.462 0.344 20 0 GCADHM CC(C)c1nocc1C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574441852 949082499 /nfs/dbraw/zinc/08/24/99/949082499.db2.gz CLNFIABASAUJHP-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1nocc1C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574441852 949082520 /nfs/dbraw/zinc/08/25/20/949082520.db2.gz CLNFIABASAUJHP-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)(C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)c1c[nH]cn1 ZINC001573780224 949084524 /nfs/dbraw/zinc/08/45/24/949084524.db2.gz TUAJDXPYJSCOJV-UHFFFAOYSA-N -1 3 382.432 0.808 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575504923 949091391 /nfs/dbraw/zinc/09/13/91/949091391.db2.gz ZCARTHIHOOLXFV-QWHCGFSZSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575504923 949091412 /nfs/dbraw/zinc/09/14/12/949091412.db2.gz ZCARTHIHOOLXFV-QWHCGFSZSA-N -1 3 380.412 0.819 20 0 GCADHM CC(C)(C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)c1c[nH]cn1 ZINC001573781028 949097359 /nfs/dbraw/zinc/09/73/59/949097359.db2.gz ALENGIJMXQKKQT-UHFFFAOYSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574442716 949101045 /nfs/dbraw/zinc/10/10/45/949101045.db2.gz RSEDMBLJUCYARH-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574442716 949101051 /nfs/dbraw/zinc/10/10/51/949101051.db2.gz RSEDMBLJUCYARH-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574442501 949101216 /nfs/dbraw/zinc/10/12/16/949101216.db2.gz QAAIYNVYUFKAKF-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574442501 949101226 /nfs/dbraw/zinc/10/12/26/949101226.db2.gz QAAIYNVYUFKAKF-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574929748 949101928 /nfs/dbraw/zinc/10/19/28/949101928.db2.gz HIJBOADVLAACIA-NSHDSACASA-N -1 3 386.391 0.929 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574929748 949101938 /nfs/dbraw/zinc/10/19/38/949101938.db2.gz HIJBOADVLAACIA-NSHDSACASA-N -1 3 386.391 0.929 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575249545 949103703 /nfs/dbraw/zinc/10/37/03/949103703.db2.gz YZOXJEQDBMYOJA-AAEUAGOBSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575249545 949103712 /nfs/dbraw/zinc/10/37/12/949103712.db2.gz YZOXJEQDBMYOJA-AAEUAGOBSA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574930608 949106458 /nfs/dbraw/zinc/10/64/58/949106458.db2.gz KQNHXPUKNUIEGV-VXGBXAGGSA-N -1 3 378.408 0.976 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574930608 949106470 /nfs/dbraw/zinc/10/64/70/949106470.db2.gz KQNHXPUKNUIEGV-VXGBXAGGSA-N -1 3 378.408 0.976 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575250050 949106661 /nfs/dbraw/zinc/10/66/61/949106661.db2.gz CRFKAVFDMGNMMO-GXFFZTMASA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575250050 949106665 /nfs/dbraw/zinc/10/66/65/949106665.db2.gz CRFKAVFDMGNMMO-GXFFZTMASA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)(C(=O)NCCN(c1ccc(-c2nnn[n-]2)nn1)C1CC1)c1c[nH]cn1 ZINC001573781674 949111253 /nfs/dbraw/zinc/11/12/53/949111253.db2.gz MAEFHCYMBAHDNO-UHFFFAOYSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCOCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574093620 949111263 /nfs/dbraw/zinc/11/12/63/949111263.db2.gz WRISEUCEGKIDHJ-OLZOCXBDSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCOCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574093620 949111273 /nfs/dbraw/zinc/11/12/73/949111273.db2.gz WRISEUCEGKIDHJ-OLZOCXBDSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)c1occc1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574445763 949112769 /nfs/dbraw/zinc/11/27/69/949112769.db2.gz CEYYTSIDQBDJAQ-JTQLQIEISA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574445763 949112779 /nfs/dbraw/zinc/11/27/79/949112779.db2.gz CEYYTSIDQBDJAQ-JTQLQIEISA-N -1 3 387.400 0.432 20 0 GCADHM C[C@H](NC(=O)[C@H](C)n1cccc1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575250355 949113608 /nfs/dbraw/zinc/11/36/08/949113608.db2.gz FGCGHDIQIWNCCP-RYUDHWBXSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@H](NC(=O)[C@H](C)n1cccc1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575250355 949113601 /nfs/dbraw/zinc/11/36/01/949113601.db2.gz FGCGHDIQIWNCCP-RYUDHWBXSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@H](CNC(=O)COC1CCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574931159 949113898 /nfs/dbraw/zinc/11/38/98/949113898.db2.gz NXICKUMBWWLNFT-LLVKDONJSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CNC(=O)COC1CCCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574931159 949113890 /nfs/dbraw/zinc/11/38/90/949113890.db2.gz NXICKUMBWWLNFT-LLVKDONJSA-N -1 3 375.433 0.779 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)C(F)F ZINC001573781988 949114952 /nfs/dbraw/zinc/11/49/52/949114952.db2.gz NVFUUFDPOQXUQT-NSHDSACASA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)(C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)C(F)F ZINC001573781988 949114968 /nfs/dbraw/zinc/11/49/68/949114968.db2.gz NVFUUFDPOQXUQT-NSHDSACASA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574931425 949116418 /nfs/dbraw/zinc/11/64/18/949116418.db2.gz PEFBWLGQHFWNOX-GXTWGEPZSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574931425 949116437 /nfs/dbraw/zinc/11/64/37/949116437.db2.gz PEFBWLGQHFWNOX-GXTWGEPZSA-N -1 3 375.433 0.622 20 0 GCADHM CC(C)(C(=O)NCC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573782021 949117110 /nfs/dbraw/zinc/11/71/10/949117110.db2.gz OPCIFXAWLUCWHR-UHFFFAOYSA-N -1 3 392.485 0.238 20 0 GCADHM CC(C)(C(=O)NCC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573782021 949117123 /nfs/dbraw/zinc/11/71/23/949117123.db2.gz OPCIFXAWLUCWHR-UHFFFAOYSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574931432 949117153 /nfs/dbraw/zinc/11/71/53/949117153.db2.gz PEFBWLGQHFWNOX-TZMCWYRMSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574931432 949117162 /nfs/dbraw/zinc/11/71/62/949117162.db2.gz PEFBWLGQHFWNOX-TZMCWYRMSA-N -1 3 375.433 0.622 20 0 GCADHM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1c[nH]cn1 ZINC001573782426 949124994 /nfs/dbraw/zinc/12/49/94/949124994.db2.gz UKQTUFRZIZMVJW-PHIMTYICSA-N -1 3 382.432 0.664 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574932231 949133147 /nfs/dbraw/zinc/13/31/47/949133147.db2.gz WHHOKBCJCLTTMV-JSGCOSHPSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574932231 949133131 /nfs/dbraw/zinc/13/31/31/949133131.db2.gz WHHOKBCJCLTTMV-JSGCOSHPSA-N -1 3 375.433 0.622 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573782996 949136326 /nfs/dbraw/zinc/13/63/26/949136326.db2.gz ZPQGLVIGMFOVBO-ZDUSSCGKSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573782996 949136335 /nfs/dbraw/zinc/13/63/35/949136335.db2.gz ZPQGLVIGMFOVBO-ZDUSSCGKSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001575512475 949139865 /nfs/dbraw/zinc/13/98/65/949139865.db2.gz NKVFXRJHVMQUMG-JQAFLVLXSA-N -1 3 385.403 0.870 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574446871 949143004 /nfs/dbraw/zinc/14/30/04/949143004.db2.gz YXAVQIVHUJAOBQ-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574446871 949143021 /nfs/dbraw/zinc/14/30/21/949143021.db2.gz YXAVQIVHUJAOBQ-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574932419 949146708 /nfs/dbraw/zinc/14/67/08/949146708.db2.gz ZWMVHQPKMFMNLN-VXGBXAGGSA-N -1 3 378.408 0.752 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574932419 949146717 /nfs/dbraw/zinc/14/67/17/949146717.db2.gz ZWMVHQPKMFMNLN-VXGBXAGGSA-N -1 3 378.408 0.752 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574446988 949148737 /nfs/dbraw/zinc/14/87/37/949148737.db2.gz FAURWZSTNGWXOZ-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574446988 949148744 /nfs/dbraw/zinc/14/87/44/949148744.db2.gz FAURWZSTNGWXOZ-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)C1CCC1 ZINC001573786912 949155649 /nfs/dbraw/zinc/15/56/49/949155649.db2.gz FEXMZJRDBGSDOR-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)C1CCC1 ZINC001573786912 949155665 /nfs/dbraw/zinc/15/56/65/949155665.db2.gz FEXMZJRDBGSDOR-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252315 949159459 /nfs/dbraw/zinc/15/94/59/949159459.db2.gz FEQVKNSDMSCYTD-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C1(C)CCC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252315 949159476 /nfs/dbraw/zinc/15/94/76/949159476.db2.gz FEQVKNSDMSCYTD-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573787063 949162158 /nfs/dbraw/zinc/16/21/58/949162158.db2.gz LHCDKBGGNHKFCY-XYPYZODXSA-N -1 3 379.446 0.144 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573787063 949162169 /nfs/dbraw/zinc/16/21/69/949162169.db2.gz LHCDKBGGNHKFCY-XYPYZODXSA-N -1 3 379.446 0.144 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574447714 949169994 /nfs/dbraw/zinc/16/99/94/949169994.db2.gz YMTIQBVROCPUKK-JTQLQIEISA-N -1 3 390.379 0.715 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574447714 949170010 /nfs/dbraw/zinc/17/00/10/949170010.db2.gz YMTIQBVROCPUKK-JTQLQIEISA-N -1 3 390.379 0.715 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574934707 949175661 /nfs/dbraw/zinc/17/56/61/949175661.db2.gz OUPOMVRAQNGQQI-NSHDSACASA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574934710 949175970 /nfs/dbraw/zinc/17/59/70/949175970.db2.gz OXMYNVBPYDAKMT-LLVKDONJSA-N -1 3 381.462 0.026 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574934710 949175986 /nfs/dbraw/zinc/17/59/86/949175986.db2.gz OXMYNVBPYDAKMT-LLVKDONJSA-N -1 3 381.462 0.026 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575253106 949179220 /nfs/dbraw/zinc/17/92/20/949179220.db2.gz SMDNCDGXJQKVFL-KCJUWKMLSA-N -1 3 383.359 0.196 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)C(F)(F)F ZINC001573787420 949179155 /nfs/dbraw/zinc/17/91/55/949179155.db2.gz YSHMKONAYCVJSF-NXEZZACHSA-N -1 3 385.350 0.516 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)C(F)(F)F ZINC001573787420 949179168 /nfs/dbraw/zinc/17/91/68/949179168.db2.gz YSHMKONAYCVJSF-NXEZZACHSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575253106 949179211 /nfs/dbraw/zinc/17/92/11/949179211.db2.gz SMDNCDGXJQKVFL-KCJUWKMLSA-N -1 3 383.359 0.196 20 0 GCADHM CC(C)c1ocnc1CN1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001574448326 949182922 /nfs/dbraw/zinc/18/29/22/949182922.db2.gz IRGIJXBXSODJLW-OCCSQVGLSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1ocnc1CN1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001574448326 949182936 /nfs/dbraw/zinc/18/29/36/949182936.db2.gz IRGIJXBXSODJLW-OCCSQVGLSA-N -1 3 386.416 0.281 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(=O)[nH]c1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574935352 949195907 /nfs/dbraw/zinc/19/59/07/949195907.db2.gz AQCIDKWHYATVSK-JTQLQIEISA-N -1 3 384.400 0.020 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(=O)[nH]c1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574935352 949195925 /nfs/dbraw/zinc/19/59/25/949195925.db2.gz AQCIDKWHYATVSK-JTQLQIEISA-N -1 3 384.400 0.020 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)cn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574935348 949196544 /nfs/dbraw/zinc/19/65/44/949196544.db2.gz ANBQRENPOYNFQA-SNVBAGLBSA-N -1 3 386.391 0.454 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)cn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574935348 949196554 /nfs/dbraw/zinc/19/65/54/949196554.db2.gz ANBQRENPOYNFQA-SNVBAGLBSA-N -1 3 386.391 0.454 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(=O)[nH]c1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574935353 949197112 /nfs/dbraw/zinc/19/71/12/949197112.db2.gz AQCIDKWHYATVSK-SNVBAGLBSA-N -1 3 384.400 0.020 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(=O)[nH]c1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574935353 949197121 /nfs/dbraw/zinc/19/71/21/949197121.db2.gz AQCIDKWHYATVSK-SNVBAGLBSA-N -1 3 384.400 0.020 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574935129 949197145 /nfs/dbraw/zinc/19/71/45/949197145.db2.gz ZVHNGLYRCBEQJS-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574935129 949197156 /nfs/dbraw/zinc/19/71/56/949197156.db2.gz ZVHNGLYRCBEQJS-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)CC1 ZINC001573788570 949199709 /nfs/dbraw/zinc/19/97/09/949199709.db2.gz NBZJCNFTKFVTJX-UHFFFAOYSA-N -1 3 382.428 0.370 20 0 GCADHM CC(C)(C(N)=O)N1CCN(C(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)CC1 ZINC001573788570 949199721 /nfs/dbraw/zinc/19/97/21/949199721.db2.gz NBZJCNFTKFVTJX-UHFFFAOYSA-N -1 3 382.428 0.370 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574449462 949199693 /nfs/dbraw/zinc/19/96/93/949199693.db2.gz STVMEPYNHPZNCX-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574449462 949199702 /nfs/dbraw/zinc/19/97/02/949199702.db2.gz STVMEPYNHPZNCX-GFCCVEGCSA-N -1 3 386.416 0.918 20 0 GCADHM C[C@H](c1cnccn1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575516208 949201742 /nfs/dbraw/zinc/20/17/42/949201742.db2.gz NMYLHOAFPVGEHO-DGCLKSJQSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@H](c1cnccn1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575516208 949201758 /nfs/dbraw/zinc/20/17/58/949201758.db2.gz NMYLHOAFPVGEHO-DGCLKSJQSA-N -1 3 383.416 0.177 20 0 GCADHM CC(C)(C(N)=O)C(=O)NCCCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573788664 949205265 /nfs/dbraw/zinc/20/52/65/949205265.db2.gz RNDGMUQBEMVUMS-UHFFFAOYSA-N -1 3 389.435 0.992 20 0 GCADHM CC(C)(C(N)=O)C(=O)NCCCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573788664 949205287 /nfs/dbraw/zinc/20/52/87/949205287.db2.gz RNDGMUQBEMVUMS-UHFFFAOYSA-N -1 3 389.435 0.992 20 0 GCADHM CC1(Nc2cncc(-c3nnn[n-]3)n2)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001575853244 949208155 /nfs/dbraw/zinc/20/81/55/949208155.db2.gz NVOOVLGSWQSUOX-UHFFFAOYSA-N -1 3 382.432 0.806 20 0 GCADHM CC1(Nc2cncc(-c3nn[n-]n3)n2)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001575853244 949208175 /nfs/dbraw/zinc/20/81/75/949208175.db2.gz NVOOVLGSWQSUOX-UHFFFAOYSA-N -1 3 382.432 0.806 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574698799 949208393 /nfs/dbraw/zinc/20/83/93/949208393.db2.gz OUOMYFSPRMICSX-KBPBESRZSA-N -1 3 388.476 0.489 20 0 GCADHM C[C@@H](NC(=O)C1=CCCC1)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575254667 949212959 /nfs/dbraw/zinc/21/29/59/949212959.db2.gz NXESAHICILHKGM-IAQYHMDHSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H](NC(=O)C1=CCCC1)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575254667 949212979 /nfs/dbraw/zinc/21/29/79/949212979.db2.gz NXESAHICILHKGM-IAQYHMDHSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575254730 949213814 /nfs/dbraw/zinc/21/38/14/949213814.db2.gz XDZLSRGVQGEAFI-UWVGGRQHSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575254730 949213833 /nfs/dbraw/zinc/21/38/33/949213833.db2.gz XDZLSRGVQGEAFI-UWVGGRQHSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576151483 949220761 /nfs/dbraw/zinc/22/07/61/949220761.db2.gz FUSRMINIPZLWER-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576151483 949220773 /nfs/dbraw/zinc/22/07/73/949220773.db2.gz FUSRMINIPZLWER-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM CC[C@@]1(C(=O)[O-])CCCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC001589604732 949232088 /nfs/dbraw/zinc/23/20/88/949232088.db2.gz FSEAQNPYGVUOMQ-QGZVFWFLSA-N -1 3 391.534 0.740 20 0 GCADHM C[C@H](NC(=O)[C@@]1(F)CCOC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575255564 949235772 /nfs/dbraw/zinc/23/57/72/949235772.db2.gz RAWWMQSPGFKZRN-MGPLVRAMSA-N -1 3 380.449 0.993 20 0 GCADHM C[C@H](NC(=O)[C@]1(F)CCOC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575255566 949236474 /nfs/dbraw/zinc/23/64/74/949236474.db2.gz RAWWMQSPGFKZRN-QFYYESIMSA-N -1 3 380.449 0.993 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(F)cn1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574938141 949236634 /nfs/dbraw/zinc/23/66/34/949236634.db2.gz STVULZKPUMJGPY-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc(F)cn1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574938141 949236652 /nfs/dbraw/zinc/23/66/52/949236652.db2.gz STVULZKPUMJGPY-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574451557 949237420 /nfs/dbraw/zinc/23/74/20/949237420.db2.gz SDEHOJMBNJIUCZ-MGCOHNPYSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574451557 949237437 /nfs/dbraw/zinc/23/74/37/949237437.db2.gz SDEHOJMBNJIUCZ-MGCOHNPYSA-N -1 3 384.400 0.997 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574938511 949248089 /nfs/dbraw/zinc/24/80/89/949248089.db2.gz XIYHBEXCCBFYQN-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(F)c(F)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574938511 949248113 /nfs/dbraw/zinc/24/81/13/949248113.db2.gz XIYHBEXCCBFYQN-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)n1cc(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cn1 ZINC001574451930 949250035 /nfs/dbraw/zinc/25/00/35/949250035.db2.gz AYOCYAXDSRJCEG-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1cc(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)cn1 ZINC001574451930 949250054 /nfs/dbraw/zinc/25/00/54/949250054.db2.gz AYOCYAXDSRJCEG-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575521011 949252107 /nfs/dbraw/zinc/25/21/07/949252107.db2.gz CJNYOACTVNXAKG-WCFLWFBJSA-N -1 3 382.432 0.373 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575521011 949252135 /nfs/dbraw/zinc/25/21/35/949252135.db2.gz CJNYOACTVNXAKG-WCFLWFBJSA-N -1 3 382.432 0.373 20 0 GCADHM CC(C)n1cc(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cn1 ZINC001574452002 949253094 /nfs/dbraw/zinc/25/30/94/949253094.db2.gz DRGASTWMDBJDEO-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1cc(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cn1 ZINC001574452002 949253113 /nfs/dbraw/zinc/25/31/13/949253113.db2.gz DRGASTWMDBJDEO-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](NC(=O)C1(CCF)CC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575256456 949253280 /nfs/dbraw/zinc/25/32/80/949253280.db2.gz VMUYIPBBDGVLGA-JTQLQIEISA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](NC(=O)C1(CCF)CC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575256456 949253300 /nfs/dbraw/zinc/25/33/00/949253300.db2.gz VMUYIPBBDGVLGA-JTQLQIEISA-N -1 3 375.408 0.911 20 0 GCADHM C[C@@]1(c2cccnc2Cl)NC(=O)N(Cc2ncc(-c3nnn[n-]3)cn2)C1=O ZINC001575856713 949253384 /nfs/dbraw/zinc/25/33/84/949253384.db2.gz JBWRXZJDPCJXPU-HNNXBMFYSA-N -1 3 385.775 0.672 20 0 GCADHM C[C@@]1(c2cccnc2Cl)NC(=O)N(Cc2ncc(-c3nn[n-]n3)cn2)C1=O ZINC001575856713 949253402 /nfs/dbraw/zinc/25/34/02/949253402.db2.gz JBWRXZJDPCJXPU-HNNXBMFYSA-N -1 3 385.775 0.672 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001574451975 949255192 /nfs/dbraw/zinc/25/51/92/949255192.db2.gz CQDLUIOKPVQPQE-CQSZACIVSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001574451975 949255209 /nfs/dbraw/zinc/25/52/09/949255209.db2.gz CQDLUIOKPVQPQE-CQSZACIVSA-N -1 3 385.432 0.584 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001575521252 949255578 /nfs/dbraw/zinc/25/55/78/949255578.db2.gz DVNOZKHYPNZGTC-GRYCIOLGSA-N -1 3 384.448 0.382 20 0 GCADHM C[C@H]1CCC[C@H](C)N1C(=O)CN(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576152651 949258264 /nfs/dbraw/zinc/25/82/64/949258264.db2.gz KAQFIGYJODHTMO-STQMWFEESA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H]1CCC[C@H](C)N1C(=O)CN(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576152651 949258285 /nfs/dbraw/zinc/25/82/85/949258285.db2.gz KAQFIGYJODHTMO-STQMWFEESA-N -1 3 388.476 0.646 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573792643 949258506 /nfs/dbraw/zinc/25/85/06/949258506.db2.gz BWFVUDYVIKNBPG-OAHLLOKOSA-N -1 3 386.456 0.799 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573792643 949258518 /nfs/dbraw/zinc/25/85/18/949258518.db2.gz BWFVUDYVIKNBPG-OAHLLOKOSA-N -1 3 386.456 0.799 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573792666 949259933 /nfs/dbraw/zinc/25/99/33/949259933.db2.gz CKNJJHAOKCBLJB-KRWDZBQOSA-N -1 3 392.485 0.596 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573792666 949259950 /nfs/dbraw/zinc/25/99/50/949259950.db2.gz CKNJJHAOKCBLJB-KRWDZBQOSA-N -1 3 392.485 0.596 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001574452247 949260757 /nfs/dbraw/zinc/26/07/57/949260757.db2.gz HOCINSYYAPDJGJ-SNVBAGLBSA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001574452247 949260785 /nfs/dbraw/zinc/26/07/85/949260785.db2.gz HOCINSYYAPDJGJ-SNVBAGLBSA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)NC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cn1 ZINC001574452511 949262449 /nfs/dbraw/zinc/26/24/49/949262449.db2.gz LPCXVBVHPMURQH-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1cc(C(=O)NC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)cn1 ZINC001574452511 949262463 /nfs/dbraw/zinc/26/24/63/949262463.db2.gz LPCXVBVHPMURQH-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@](C)(CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573792733 949262679 /nfs/dbraw/zinc/26/26/79/949262679.db2.gz CWVKKLYLJAZVSZ-SFHVURJKSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@](C)(CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573792733 949262687 /nfs/dbraw/zinc/26/26/87/949262687.db2.gz CWVKKLYLJAZVSZ-SFHVURJKSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001574105495 949268392 /nfs/dbraw/zinc/26/83/92/949268392.db2.gz CMFVTBJMGBKZGC-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001574105495 949268412 /nfs/dbraw/zinc/26/84/12/949268412.db2.gz CMFVTBJMGBKZGC-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574940570 949268683 /nfs/dbraw/zinc/26/86/83/949268683.db2.gz HDUONPARXBSFJU-GOSISDBHSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@](CNC(=O)Cc1ccc[nH]1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574940570 949268688 /nfs/dbraw/zinc/26/86/88/949268688.db2.gz HDUONPARXBSFJU-GOSISDBHSA-N -1 3 382.428 0.780 20 0 GCADHM CC(C)CC(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574105469 949268853 /nfs/dbraw/zinc/26/88/53/949268853.db2.gz BYOUYBWSNFYGLV-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574105469 949268876 /nfs/dbraw/zinc/26/88/76/949268876.db2.gz BYOUYBWSNFYGLV-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@](C)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573792799 949269447 /nfs/dbraw/zinc/26/94/47/949269447.db2.gz DVCJGZKFGRRBAL-GOSISDBHSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@](C)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573792799 949269466 /nfs/dbraw/zinc/26/94/66/949269466.db2.gz DVCJGZKFGRRBAL-GOSISDBHSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573792807 949270847 /nfs/dbraw/zinc/27/08/47/949270847.db2.gz DVRYUDCVSMFMLI-RTCCRHLQSA-N -1 3 385.428 0.244 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573792807 949270869 /nfs/dbraw/zinc/27/08/69/949270869.db2.gz DVRYUDCVSMFMLI-RTCCRHLQSA-N -1 3 385.428 0.244 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@@H](O)CNc2ncccc2-c2nnn[n-]2)cn1 ZINC001574452964 949272736 /nfs/dbraw/zinc/27/27/36/949272736.db2.gz SRTQRSGPXJMIQJ-ZDUSSCGKSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@@H](O)CNc2ncccc2-c2nn[n-]n2)cn1 ZINC001574452964 949272754 /nfs/dbraw/zinc/27/27/54/949272754.db2.gz SRTQRSGPXJMIQJ-ZDUSSCGKSA-N -1 3 385.432 0.584 20 0 GCADHM C[C@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574702105 949274317 /nfs/dbraw/zinc/27/43/17/949274317.db2.gz GRGOCEGGHZNDBB-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573792879 949274290 /nfs/dbraw/zinc/27/42/90/949274290.db2.gz HJKKZOISXGYZFO-MNOVXSKESA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573792879 949274310 /nfs/dbraw/zinc/27/43/10/949274310.db2.gz HJKKZOISXGYZFO-MNOVXSKESA-N -1 3 387.444 0.825 20 0 GCADHM C[C@H](CN(C)C(=O)C1(F)CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574702105 949274327 /nfs/dbraw/zinc/27/43/27/949274327.db2.gz GRGOCEGGHZNDBB-SNVBAGLBSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ncccc1-c1nnn[n-]1 ZINC001574940818 949277309 /nfs/dbraw/zinc/27/73/09/949277309.db2.gz KWAMEYKBSHSKED-NSHDSACASA-N -1 3 392.423 0.916 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ncccc1-c1nn[n-]n1 ZINC001574940818 949277331 /nfs/dbraw/zinc/27/73/31/949277331.db2.gz KWAMEYKBSHSKED-NSHDSACASA-N -1 3 392.423 0.916 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ncccc1-c1nnn[n-]1 ZINC001574940814 949279073 /nfs/dbraw/zinc/27/90/73/949279073.db2.gz KWAMEYKBSHSKED-LLVKDONJSA-N -1 3 392.423 0.916 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522930 949279053 /nfs/dbraw/zinc/27/90/53/949279053.db2.gz NKSNMZCZZXEFLB-NEPJUHHUSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522930 949279074 /nfs/dbraw/zinc/27/90/74/949279074.db2.gz NKSNMZCZZXEFLB-NEPJUHHUSA-N -1 3 384.448 0.478 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ncccc1-c1nn[n-]n1 ZINC001574940814 949279093 /nfs/dbraw/zinc/27/90/93/949279093.db2.gz KWAMEYKBSHSKED-LLVKDONJSA-N -1 3 392.423 0.916 20 0 GCADHM CC(C)n1cc(CNC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCC2)nn1 ZINC001574454713 949282666 /nfs/dbraw/zinc/28/26/66/949282666.db2.gz AVSUTSOJCZEANX-UHFFFAOYSA-N -1 3 384.448 0.810 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001575523344 949284693 /nfs/dbraw/zinc/28/46/93/949284693.db2.gz PLAVJWQZAXKZHR-GXFFZTMASA-N -1 3 384.448 0.525 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001575523344 949284710 /nfs/dbraw/zinc/28/47/10/949284710.db2.gz PLAVJWQZAXKZHR-GXFFZTMASA-N -1 3 384.448 0.525 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573793162 949286348 /nfs/dbraw/zinc/28/63/48/949286348.db2.gz NARQXJNGPCSUBM-MNOVXSKESA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573793162 949286370 /nfs/dbraw/zinc/28/63/70/949286370.db2.gz NARQXJNGPCSUBM-MNOVXSKESA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)n1cc(C(=O)NCC2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cn1 ZINC001574453182 949286351 /nfs/dbraw/zinc/28/63/51/949286351.db2.gz YQXGSBSGGGGSNR-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1cc(C(=O)NCC2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cn1 ZINC001574453182 949286373 /nfs/dbraw/zinc/28/63/73/949286373.db2.gz YQXGSBSGGGGSNR-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC1=C(C(=O)NC2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860014 949286802 /nfs/dbraw/zinc/28/68/02/949286802.db2.gz AOYGTIKPPUCMAU-UHFFFAOYSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NC2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860014 949286829 /nfs/dbraw/zinc/28/68/29/949286829.db2.gz AOYGTIKPPUCMAU-UHFFFAOYSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575523370 949289125 /nfs/dbraw/zinc/28/91/25/949289125.db2.gz PMYQACHMSKHZGK-LLVKDONJSA-N -1 3 384.448 0.526 20 0 GCADHM C[C@H](c1nncn1C)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575523370 949289145 /nfs/dbraw/zinc/28/91/45/949289145.db2.gz PMYQACHMSKHZGK-LLVKDONJSA-N -1 3 384.448 0.526 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001574454758 949289261 /nfs/dbraw/zinc/28/92/61/949289261.db2.gz CHYYHZWBAOTCBK-XYPYZODXSA-N -1 3 384.404 0.058 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001574454758 949289288 /nfs/dbraw/zinc/28/92/88/949289288.db2.gz CHYYHZWBAOTCBK-XYPYZODXSA-N -1 3 384.404 0.058 20 0 GCADHM C[C@H](c1nncn1C)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575523475 949291244 /nfs/dbraw/zinc/29/12/44/949291244.db2.gz QGUXOTPUMPTXQQ-NEPJUHHUSA-N -1 3 384.448 0.669 20 0 GCADHM CC(C)n1cc(CN2CC[C@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574454808 949291771 /nfs/dbraw/zinc/29/17/71/949291771.db2.gz GBIWJZXHESXOFM-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574454808 949291795 /nfs/dbraw/zinc/29/17/95/949291795.db2.gz GBIWJZXHESXOFM-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576153460 949292379 /nfs/dbraw/zinc/29/23/79/949292379.db2.gz MPIBXECBNLHGNT-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576153460 949292398 /nfs/dbraw/zinc/29/23/98/949292398.db2.gz MPIBXECBNLHGNT-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)n1cc(CN2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)nn1 ZINC001574454972 949293311 /nfs/dbraw/zinc/29/33/11/949293311.db2.gz JSQUOHBMPQELAM-UHFFFAOYSA-N -1 3 384.448 0.715 20 0 GCADHM CC(C)n1cc(CN2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)nn1 ZINC001574454972 949293333 /nfs/dbraw/zinc/29/33/33/949293333.db2.gz JSQUOHBMPQELAM-UHFFFAOYSA-N -1 3 384.448 0.715 20 0 GCADHM CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573793508 949295647 /nfs/dbraw/zinc/29/56/47/949295647.db2.gz SPRDDRCUFQJRDK-NSHDSACASA-N -1 3 387.444 0.921 20 0 GCADHM CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573793508 949295666 /nfs/dbraw/zinc/29/56/66/949295666.db2.gz SPRDDRCUFQJRDK-NSHDSACASA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H](NC(=O)C1CCC(O)CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575258288 949296571 /nfs/dbraw/zinc/29/65/71/949296571.db2.gz GPTHZJJNMHBBPP-IFQILLTASA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](NC(=O)C1CCC(O)CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575258288 949296597 /nfs/dbraw/zinc/29/65/97/949296597.db2.gz GPTHZJJNMHBBPP-IFQILLTASA-N -1 3 387.444 0.323 20 0 GCADHM CC1=C(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCCO1 ZINC001575860668 949311166 /nfs/dbraw/zinc/31/11/66/949311166.db2.gz KWJQMYOCTVRLAJ-UHFFFAOYSA-N -1 3 385.428 0.954 20 0 GCADHM CC1=C(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCCO1 ZINC001575860668 949311189 /nfs/dbraw/zinc/31/11/89/949311189.db2.gz KWJQMYOCTVRLAJ-UHFFFAOYSA-N -1 3 385.428 0.954 20 0 GCADHM CC1=C(C(=O)N(C)[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860939 949313072 /nfs/dbraw/zinc/31/30/72/949313072.db2.gz NKYGXOHWPLZLGR-CYBMUJFWSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N(C)[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860939 949313094 /nfs/dbraw/zinc/31/30/94/949313094.db2.gz NKYGXOHWPLZLGR-CYBMUJFWSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@](C)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575860928 949313260 /nfs/dbraw/zinc/31/32/60/949313260.db2.gz NDYWMMZMAQRTGM-SFHVURJKSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N2CC[C@](C)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575860928 949313284 /nfs/dbraw/zinc/31/32/84/949313284.db2.gz NDYWMMZMAQRTGM-SFHVURJKSA-N -1 3 385.428 1.000 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575524417 949315991 /nfs/dbraw/zinc/31/59/91/949315991.db2.gz IIXKVEVMJQTZSX-SNVBAGLBSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N1CCC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575524417 949316014 /nfs/dbraw/zinc/31/60/14/949316014.db2.gz IIXKVEVMJQTZSX-SNVBAGLBSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576154137 949318744 /nfs/dbraw/zinc/31/87/44/949318744.db2.gz NSCQJJZMVYBWPB-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576154137 949318765 /nfs/dbraw/zinc/31/87/65/949318765.db2.gz NSCQJJZMVYBWPB-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](c1ncccn1)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575524603 949320973 /nfs/dbraw/zinc/32/09/73/949320973.db2.gz UYNTVKWAFLPDGR-GFCCVEGCSA-N -1 3 379.428 0.894 20 0 GCADHM C[C@H](c1ncccn1)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575524603 949320994 /nfs/dbraw/zinc/32/09/94/949320994.db2.gz UYNTVKWAFLPDGR-GFCCVEGCSA-N -1 3 379.428 0.894 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574703304 949321362 /nfs/dbraw/zinc/32/13/62/949321362.db2.gz ULXRTGHQZSXDME-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@]1(C)CCCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574703304 949321386 /nfs/dbraw/zinc/32/13/86/949321386.db2.gz ULXRTGHQZSXDME-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](c1ncccn1)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575524505 949321680 /nfs/dbraw/zinc/32/16/80/949321680.db2.gz UDSSZKQAKOEZPU-YPMHNXCESA-N -1 3 385.432 0.111 20 0 GCADHM C[C@H](c1ncccn1)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575524505 949321699 /nfs/dbraw/zinc/32/16/99/949321699.db2.gz UDSSZKQAKOEZPU-YPMHNXCESA-N -1 3 385.432 0.111 20 0 GCADHM C[C@@H](CN(C)C(=O)C1(C)CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574703318 949322179 /nfs/dbraw/zinc/32/21/79/949322179.db2.gz UNYNUTKRMPXOEC-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)C1(C)CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574703318 949322192 /nfs/dbraw/zinc/32/21/92/949322192.db2.gz UNYNUTKRMPXOEC-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)n1 ZINC001574457306 949322329 /nfs/dbraw/zinc/32/23/29/949322329.db2.gz FWBIJSQWHOYGBQ-ZIAGYGMSSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)n1 ZINC001574457306 949322343 /nfs/dbraw/zinc/32/23/43/949322343.db2.gz FWBIJSQWHOYGBQ-ZIAGYGMSSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nnn[n-]2)n1 ZINC001574457663 949329988 /nfs/dbraw/zinc/32/99/88/949329988.db2.gz MHERFFSGKKQMRY-NSHDSACASA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nn[n-]n2)n1 ZINC001574457663 949330018 /nfs/dbraw/zinc/33/00/18/949330018.db2.gz MHERFFSGKKQMRY-NSHDSACASA-N -1 3 388.407 0.986 20 0 GCADHM CC1=C(C(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001575861646 949332632 /nfs/dbraw/zinc/33/26/32/949332632.db2.gz UQQBHVAGCGVLRH-ZDUSSCGKSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001575861646 949332654 /nfs/dbraw/zinc/33/26/54/949332654.db2.gz UQQBHVAGCGVLRH-ZDUSSCGKSA-N -1 3 385.428 0.952 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575525083 949333833 /nfs/dbraw/zinc/33/38/33/949333833.db2.gz WACIMTSWEIELDM-DGCLKSJQSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575525083 949333855 /nfs/dbraw/zinc/33/38/55/949333855.db2.gz WACIMTSWEIELDM-DGCLKSJQSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576154338 949334766 /nfs/dbraw/zinc/33/47/66/949334766.db2.gz PPZRCTBGTUEZIL-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576154338 949334797 /nfs/dbraw/zinc/33/47/97/949334797.db2.gz PPZRCTBGTUEZIL-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576154339 949336159 /nfs/dbraw/zinc/33/61/59/949336159.db2.gz PPZRCTBGTUEZIL-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576154339 949336179 /nfs/dbraw/zinc/33/61/79/949336179.db2.gz PPZRCTBGTUEZIL-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](c1nncn1C)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575525174 949337947 /nfs/dbraw/zinc/33/79/47/949337947.db2.gz WKQLDUARUFEVTO-DGCLKSJQSA-N -1 3 384.448 0.669 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC(C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575525214 949338753 /nfs/dbraw/zinc/33/87/53/949338753.db2.gz WPODDTHTTJABIA-NSHDSACASA-N -1 3 384.448 0.669 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC(C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575525214 949338774 /nfs/dbraw/zinc/33/87/74/949338774.db2.gz WPODDTHTTJABIA-NSHDSACASA-N -1 3 384.448 0.669 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574458588 949341081 /nfs/dbraw/zinc/34/10/81/949341081.db2.gz UAPGJADOJVGWLU-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574458588 949341100 /nfs/dbraw/zinc/34/11/00/949341100.db2.gz UAPGJADOJVGWLU-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573796915 949341377 /nfs/dbraw/zinc/34/13/77/949341377.db2.gz WVLWSZDBXCYGGH-CQSZACIVSA-N -1 3 390.419 0.896 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573796915 949341398 /nfs/dbraw/zinc/34/13/98/949341398.db2.gz WVLWSZDBXCYGGH-CQSZACIVSA-N -1 3 390.419 0.896 20 0 GCADHM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574942231 949341419 /nfs/dbraw/zinc/34/14/19/949341419.db2.gz LHHHCEAKHZGTSJ-GFCCVEGCSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574942231 949341440 /nfs/dbraw/zinc/34/14/40/949341440.db2.gz LHHHCEAKHZGTSJ-GFCCVEGCSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@H](CNC(=O)Cc1c[nH]cn1)N(C)c1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574942283 949346478 /nfs/dbraw/zinc/34/64/78/949346478.db2.gz NBBRLKSLJRMETF-SSDOTTSWSA-N -1 3 381.853 0.883 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573797071 949347271 /nfs/dbraw/zinc/34/72/71/949347271.db2.gz ZXFRZKUESOGOTK-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573797071 949347293 /nfs/dbraw/zinc/34/72/93/949347293.db2.gz ZXFRZKUESOGOTK-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573798390 949349101 /nfs/dbraw/zinc/34/91/01/949349101.db2.gz AZYHZSXSFTYNIE-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573798390 949349124 /nfs/dbraw/zinc/34/91/24/949349124.db2.gz AZYHZSXSFTYNIE-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001575260106 949349292 /nfs/dbraw/zinc/34/92/92/949349292.db2.gz USUZMQKXNGIZRV-VXGBXAGGSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC001575260106 949349311 /nfs/dbraw/zinc/34/93/11/949349311.db2.gz USUZMQKXNGIZRV-VXGBXAGGSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](NC(=O)C1=COCCC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260437 949352974 /nfs/dbraw/zinc/35/29/74/949352974.db2.gz VYJAYIUFMFRGPR-RYUDHWBXSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](NC(=O)C1=COCCC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260437 949352991 /nfs/dbraw/zinc/35/29/91/949352991.db2.gz VYJAYIUFMFRGPR-RYUDHWBXSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](NC(=O)C1CC(F)(F)C1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260414 949354797 /nfs/dbraw/zinc/35/47/97/949354797.db2.gz VSLOYIZDXZFTRD-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](NC(=O)C1CC(F)(F)C1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260414 949354815 /nfs/dbraw/zinc/35/48/15/949354815.db2.gz VSLOYIZDXZFTRD-QMMMGPOBSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576154710 949357732 /nfs/dbraw/zinc/35/77/32/949357732.db2.gz QZMWAMJCVWPQBD-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576154710 949357750 /nfs/dbraw/zinc/35/77/50/949357750.db2.gz QZMWAMJCVWPQBD-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574459802 949361047 /nfs/dbraw/zinc/36/10/47/949361047.db2.gz KZVBUQKPZNCPDK-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574459802 949361072 /nfs/dbraw/zinc/36/10/72/949361072.db2.gz KZVBUQKPZNCPDK-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574459481 949362355 /nfs/dbraw/zinc/36/23/55/949362355.db2.gz IGIXXDQFMUAGBT-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574459481 949362376 /nfs/dbraw/zinc/36/23/76/949362376.db2.gz IGIXXDQFMUAGBT-NSHDSACASA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001574459779 949362426 /nfs/dbraw/zinc/36/24/26/949362426.db2.gz KCKHUZMHKRUSHB-AWEZNQCLSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001574459779 949362445 /nfs/dbraw/zinc/36/24/45/949362445.db2.gz KCKHUZMHKRUSHB-AWEZNQCLSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@]1(C(=O)N2CC3(C2)CCN(C(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)CCOC1 ZINC001575527410 949369888 /nfs/dbraw/zinc/36/98/88/949369888.db2.gz CBRFQDBHKRSFTH-KRWDZBQOSA-N -1 3 385.428 0.296 20 0 GCADHM C[C@]1(C(=O)N2CC3(C2)CCN(C(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)CCOC1 ZINC001575527410 949369912 /nfs/dbraw/zinc/36/99/12/949369912.db2.gz CBRFQDBHKRSFTH-KRWDZBQOSA-N -1 3 385.428 0.296 20 0 GCADHM C[C@H](CNC(=O)Cc1cn2c(n1)CCCC2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574943369 949374895 /nfs/dbraw/zinc/37/48/95/949374895.db2.gz WSXAVCRKWMGIEW-LLVKDONJSA-N -1 3 382.432 0.349 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574460690 949376244 /nfs/dbraw/zinc/37/62/44/949376244.db2.gz XROWOIYIXUDDOK-TXEJJXNPSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574460690 949376266 /nfs/dbraw/zinc/37/62/66/949376266.db2.gz XROWOIYIXUDDOK-TXEJJXNPSA-N -1 3 383.416 0.663 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575865623 949378910 /nfs/dbraw/zinc/37/89/10/949378910.db2.gz AYEORBZTMSCWIW-SCZZXKLOSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C(F)F)CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575865623 949378930 /nfs/dbraw/zinc/37/89/30/949378930.db2.gz AYEORBZTMSCWIW-SCZZXKLOSA-N -1 3 379.371 0.959 20 0 GCADHM CC(C)n1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574460678 949379176 /nfs/dbraw/zinc/37/91/76/949379176.db2.gz XBHHHUIZGSCONM-VIKVFOODSA-N -1 3 381.444 0.832 20 0 GCADHM CC(C)n1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574460678 949379199 /nfs/dbraw/zinc/37/91/99/949379199.db2.gz XBHHHUIZGSCONM-VIKVFOODSA-N -1 3 381.444 0.832 20 0 GCADHM C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575262804 949383850 /nfs/dbraw/zinc/38/38/50/949383850.db2.gz CEEPBOWOFCBJJV-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575262804 949383871 /nfs/dbraw/zinc/38/38/71/949383871.db2.gz CEEPBOWOFCBJJV-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)CC(=O)NC1(CO)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001574112578 949389122 /nfs/dbraw/zinc/38/91/22/949389122.db2.gz LANHRQVYOMSFCX-UHFFFAOYSA-N -1 3 377.424 0.894 20 0 GCADHM CC(C)CC(=O)NC1(CO)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001574112578 949389145 /nfs/dbraw/zinc/38/91/45/949389145.db2.gz LANHRQVYOMSFCX-UHFFFAOYSA-N -1 3 377.424 0.894 20 0 GCADHM C[C@@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001575865941 949390188 /nfs/dbraw/zinc/39/01/88/949390188.db2.gz OXQBLWXETMDTFP-SNVBAGLBSA-N -1 3 385.409 0.793 20 0 GCADHM C[C@@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001575865941 949390212 /nfs/dbraw/zinc/39/02/12/949390212.db2.gz OXQBLWXETMDTFP-SNVBAGLBSA-N -1 3 385.409 0.793 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575263278 949391920 /nfs/dbraw/zinc/39/19/20/949391920.db2.gz FMUGFMCRMLUQCF-RISCZKNCSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575263278 949391936 /nfs/dbraw/zinc/39/19/36/949391936.db2.gz FMUGFMCRMLUQCF-RISCZKNCSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575263359 949393875 /nfs/dbraw/zinc/39/38/75/949393875.db2.gz GIBNEGKNQWOWSW-MLCYQJTMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575263359 949393900 /nfs/dbraw/zinc/39/39/00/949393900.db2.gz GIBNEGKNQWOWSW-MLCYQJTMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574704585 949400197 /nfs/dbraw/zinc/40/01/97/949400197.db2.gz DEDJGQBOBOILMV-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574704585 949400216 /nfs/dbraw/zinc/40/02/16/949400216.db2.gz DEDJGQBOBOILMV-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575528565 949403564 /nfs/dbraw/zinc/40/35/64/949403564.db2.gz XIRYHWUDXGGFRV-FHSNZYRGSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575528565 949403574 /nfs/dbraw/zinc/40/35/74/949403574.db2.gz XIRYHWUDXGGFRV-FHSNZYRGSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575263805 949405694 /nfs/dbraw/zinc/40/56/94/949405694.db2.gz JTBVSAUBRWYMNA-IUCAKERBSA-N -1 3 382.421 0.356 20 0 GCADHM C[C@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575263805 949405706 /nfs/dbraw/zinc/40/57/06/949405706.db2.gz JTBVSAUBRWYMNA-IUCAKERBSA-N -1 3 382.421 0.356 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575263800 949405777 /nfs/dbraw/zinc/40/57/77/949405777.db2.gz JSAIPFMYYTYEQA-NSHDSACASA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575263800 949405789 /nfs/dbraw/zinc/40/57/89/949405789.db2.gz JSAIPFMYYTYEQA-NSHDSACASA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575263775 949407714 /nfs/dbraw/zinc/40/77/14/949407714.db2.gz JIYCQFCJSNZJJP-RYUDHWBXSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575263775 949407733 /nfs/dbraw/zinc/40/77/33/949407733.db2.gz JIYCQFCJSNZJJP-RYUDHWBXSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575263773 949408363 /nfs/dbraw/zinc/40/83/63/949408363.db2.gz JIYCQFCJSNZJJP-NEPJUHHUSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575263773 949408373 /nfs/dbraw/zinc/40/83/73/949408373.db2.gz JIYCQFCJSNZJJP-NEPJUHHUSA-N -1 3 389.460 0.713 20 0 GCADHM CC1(C(=O)N2CCC(N(CCO)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CC1 ZINC001575532855 949408642 /nfs/dbraw/zinc/40/86/42/949408642.db2.gz AUQJEEFKZQWSOY-UHFFFAOYSA-N -1 3 387.444 0.420 20 0 GCADHM CC1(C(=O)N2CCC(N(CCO)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CC1 ZINC001575532855 949408653 /nfs/dbraw/zinc/40/86/53/949408653.db2.gz AUQJEEFKZQWSOY-UHFFFAOYSA-N -1 3 387.444 0.420 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574464352 949410607 /nfs/dbraw/zinc/41/06/07/949410607.db2.gz LYAMDIOTGYENEJ-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574464352 949410624 /nfs/dbraw/zinc/41/06/24/949410624.db2.gz LYAMDIOTGYENEJ-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575263880 949411055 /nfs/dbraw/zinc/41/10/55/949411055.db2.gz KSWRAXFEUIEJAG-FZMZJTMJSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575263880 949411071 /nfs/dbraw/zinc/41/10/71/949411071.db2.gz KSWRAXFEUIEJAG-FZMZJTMJSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575263879 949412701 /nfs/dbraw/zinc/41/27/01/949412701.db2.gz KSWRAXFEUIEJAG-BXUZGUMPSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575263879 949412717 /nfs/dbraw/zinc/41/27/17/949412717.db2.gz KSWRAXFEUIEJAG-BXUZGUMPSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CC(=O)N[C@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574114546 949413242 /nfs/dbraw/zinc/41/32/42/949413242.db2.gz VGUCUQFSSZCFMD-BXUZGUMPSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N[C@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574114546 949413250 /nfs/dbraw/zinc/41/32/50/949413250.db2.gz VGUCUQFSSZCFMD-BXUZGUMPSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573802171 949413315 /nfs/dbraw/zinc/41/33/15/949413315.db2.gz FSVBSLOFIXDHLQ-HAQNSBGRSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573802171 949413326 /nfs/dbraw/zinc/41/33/26/949413326.db2.gz FSVBSLOFIXDHLQ-HAQNSBGRSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573802448 949419814 /nfs/dbraw/zinc/41/98/14/949419814.db2.gz HNJNMAPIJNDBKH-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573802448 949419839 /nfs/dbraw/zinc/41/98/39/949419839.db2.gz HNJNMAPIJNDBKH-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001574464626 949420443 /nfs/dbraw/zinc/42/04/43/949420443.db2.gz OTBSGBGBRINKKI-NSHDSACASA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC001574464626 949420459 /nfs/dbraw/zinc/42/04/59/949420459.db2.gz OTBSGBGBRINKKI-NSHDSACASA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001574464631 949420567 /nfs/dbraw/zinc/42/05/67/949420567.db2.gz OXFNSAWPUHVJHF-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001574464631 949420579 /nfs/dbraw/zinc/42/05/79/949420579.db2.gz OXFNSAWPUHVJHF-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576155912 949423560 /nfs/dbraw/zinc/42/35/60/949423560.db2.gz KJTRWXCNDNYFTQ-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576155912 949423571 /nfs/dbraw/zinc/42/35/71/949423571.db2.gz KJTRWXCNDNYFTQ-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574945939 949425511 /nfs/dbraw/zinc/42/55/11/949425511.db2.gz PNHVXLNJFKZAGM-GFCCVEGCSA-N -1 3 381.444 0.954 20 0 GCADHM C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574945939 949425525 /nfs/dbraw/zinc/42/55/25/949425525.db2.gz PNHVXLNJFKZAGM-GFCCVEGCSA-N -1 3 381.444 0.954 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001574465054 949426289 /nfs/dbraw/zinc/42/62/89/949426289.db2.gz UYTFUMCDFMCRGI-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001574465054 949426301 /nfs/dbraw/zinc/42/63/01/949426301.db2.gz UYTFUMCDFMCRGI-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573802703 949426549 /nfs/dbraw/zinc/42/65/49/949426549.db2.gz KHNDKSRXZWKZIO-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573802703 949426563 /nfs/dbraw/zinc/42/65/63/949426563.db2.gz KHNDKSRXZWKZIO-UHFFFAOYSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001574465089 949431085 /nfs/dbraw/zinc/43/10/85/949431085.db2.gz WZHMABNBTJUELA-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001574465089 949431104 /nfs/dbraw/zinc/43/11/04/949431104.db2.gz WZHMABNBTJUELA-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575534574 949431917 /nfs/dbraw/zinc/43/19/17/949431917.db2.gz OFLCLQLLJWCVPP-KPZWWZAWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575534574 949431928 /nfs/dbraw/zinc/43/19/28/949431928.db2.gz OFLCLQLLJWCVPP-KPZWWZAWSA-N -1 3 384.444 0.438 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)CCCC1 ZINC001575534835 949431957 /nfs/dbraw/zinc/43/19/57/949431957.db2.gz QPHQFNFBJQVSQV-GXTWGEPZSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)CCCC1 ZINC001575534835 949431970 /nfs/dbraw/zinc/43/19/70/949431970.db2.gz QPHQFNFBJQVSQV-GXTWGEPZSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@](CNC(=O)Cc1cnoc1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574946586 949435008 /nfs/dbraw/zinc/43/50/08/949435008.db2.gz WALLCBKLZCIGQD-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)Cc1cnoc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574946586 949435022 /nfs/dbraw/zinc/43/50/22/949435022.db2.gz WALLCBKLZCIGQD-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@H](CNC(=O)Cc1ncccc1F)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574946296 949435406 /nfs/dbraw/zinc/43/54/06/949435406.db2.gz UPXGDHQXNJCXBB-JTQLQIEISA-N -1 3 386.391 0.454 20 0 GCADHM C[C@@H](CNC(=O)Cc1ncccc1F)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574946296 949435432 /nfs/dbraw/zinc/43/54/32/949435432.db2.gz UPXGDHQXNJCXBB-JTQLQIEISA-N -1 3 386.391 0.454 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1 ZINC001573803253 949435354 /nfs/dbraw/zinc/43/53/54/949435354.db2.gz OXGITRFJEGPGPJ-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1 ZINC001573803253 949435372 /nfs/dbraw/zinc/43/53/72/949435372.db2.gz OXGITRFJEGPGPJ-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574705812 949437824 /nfs/dbraw/zinc/43/78/24/949437824.db2.gz VTRCPKGKZUHTOV-ONGXEEELSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574705812 949437838 /nfs/dbraw/zinc/43/78/38/949437838.db2.gz VTRCPKGKZUHTOV-ONGXEEELSA-N -1 3 392.851 0.652 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573803690 949446458 /nfs/dbraw/zinc/44/64/58/949446458.db2.gz QJHAENOJAZJFSU-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573803690 949446474 /nfs/dbraw/zinc/44/64/74/949446474.db2.gz QJHAENOJAZJFSU-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccccc1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574947578 949446846 /nfs/dbraw/zinc/44/68/46/949446846.db2.gz CVJXBCLDMWJRJL-LBPRGKRZSA-N -1 3 385.403 0.809 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccccc1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574947578 949446862 /nfs/dbraw/zinc/44/68/62/949446862.db2.gz CVJXBCLDMWJRJL-LBPRGKRZSA-N -1 3 385.403 0.809 20 0 GCADHM C[C@H](NC(=O)C1CCOCC1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575265314 949447638 /nfs/dbraw/zinc/44/76/38/949447638.db2.gz UGEGBQFNKMCACY-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C1CCOCC1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575265314 949447645 /nfs/dbraw/zinc/44/76/45/949447645.db2.gz UGEGBQFNKMCACY-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574947572 949448056 /nfs/dbraw/zinc/44/80/56/949448056.db2.gz CUBFKSXHSCPYDP-GFCCVEGCSA-N -1 3 384.448 0.263 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576156502 949448375 /nfs/dbraw/zinc/44/83/75/949448375.db2.gz WUECIMLJVZTVQG-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576156502 949448390 /nfs/dbraw/zinc/44/83/90/949448390.db2.gz WUECIMLJVZTVQG-RYUDHWBXSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574947888 949451081 /nfs/dbraw/zinc/45/10/81/949451081.db2.gz FPMNEJNFVWLGRL-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574947888 949451102 /nfs/dbraw/zinc/45/11/02/949451102.db2.gz FPMNEJNFVWLGRL-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001575265601 949453842 /nfs/dbraw/zinc/45/38/42/949453842.db2.gz VMEOJPZOGFJDNF-XPTSAGLGSA-N -1 3 389.391 0.051 20 0 GCADHM C[C@@]1(C(=O)N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCCOC1 ZINC001575535766 949455385 /nfs/dbraw/zinc/45/53/85/949455385.db2.gz AZFBSDQBUPLZKG-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCCOC1 ZINC001575535766 949455393 /nfs/dbraw/zinc/45/53/93/949455393.db2.gz AZFBSDQBUPLZKG-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574468080 949458687 /nfs/dbraw/zinc/45/86/87/949458687.db2.gz HRNKDYOZIXRZLW-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574468080 949458708 /nfs/dbraw/zinc/45/87/08/949458708.db2.gz HRNKDYOZIXRZLW-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC1(C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCC1 ZINC001575535997 949459262 /nfs/dbraw/zinc/45/92/62/949459262.db2.gz CUDOQVPIHDAYCW-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCC1 ZINC001575535997 949459278 /nfs/dbraw/zinc/45/92/78/949459278.db2.gz CUDOQVPIHDAYCW-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575266104 949466665 /nfs/dbraw/zinc/46/66/65/949466665.db2.gz XERJCAMQEBHKLC-NSHDSACASA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575266104 949466681 /nfs/dbraw/zinc/46/66/81/949466681.db2.gz XERJCAMQEBHKLC-NSHDSACASA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574707297 949466738 /nfs/dbraw/zinc/46/67/38/949466738.db2.gz ONYNDCUHLZYLAD-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574707297 949466744 /nfs/dbraw/zinc/46/67/44/949466744.db2.gz ONYNDCUHLZYLAD-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574468795 949467406 /nfs/dbraw/zinc/46/74/06/949467406.db2.gz QZLRGIUBXONHOO-ZDUSSCGKSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574468795 949467418 /nfs/dbraw/zinc/46/74/18/949467418.db2.gz QZLRGIUBXONHOO-ZDUSSCGKSA-N -1 3 385.432 0.584 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CCNC(=O)C1 ZINC001575536767 949477125 /nfs/dbraw/zinc/47/71/25/949477125.db2.gz LMUVUARFZAFRJO-PIGZYNQJSA-N -1 3 388.407 0.330 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CCNC(=O)C1 ZINC001575536767 949477144 /nfs/dbraw/zinc/47/71/44/949477144.db2.gz LMUVUARFZAFRJO-PIGZYNQJSA-N -1 3 388.407 0.330 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CCNC(=O)C1 ZINC001575536763 949477446 /nfs/dbraw/zinc/47/74/46/949477446.db2.gz LMUVUARFZAFRJO-DIFFPNOSSA-N -1 3 388.407 0.330 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CCNC(=O)C1 ZINC001575536763 949477465 /nfs/dbraw/zinc/47/74/65/949477465.db2.gz LMUVUARFZAFRJO-DIFFPNOSSA-N -1 3 388.407 0.330 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001574117927 949482759 /nfs/dbraw/zinc/48/27/59/949482759.db2.gz BKFOFADQGYWJGP-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001574117927 949482775 /nfs/dbraw/zinc/48/27/75/949482775.db2.gz BKFOFADQGYWJGP-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574949163 949484536 /nfs/dbraw/zinc/48/45/36/949484536.db2.gz RJZUHNJZAPRYQQ-GFCCVEGCSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574949163 949484552 /nfs/dbraw/zinc/48/45/52/949484552.db2.gz RJZUHNJZAPRYQQ-GFCCVEGCSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574469884 949486313 /nfs/dbraw/zinc/48/63/13/949486313.db2.gz JEIJJIJHTOVBNB-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574469884 949486325 /nfs/dbraw/zinc/48/63/25/949486325.db2.gz JEIJJIJHTOVBNB-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574469834 949486688 /nfs/dbraw/zinc/48/66/88/949486688.db2.gz HZNPBEUOZLPUBP-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574469834 949486695 /nfs/dbraw/zinc/48/66/95/949486695.db2.gz HZNPBEUOZLPUBP-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1nccc1C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574470132 949487800 /nfs/dbraw/zinc/48/78/00/949487800.db2.gz MMSVVCYIFIAZHB-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1nccc1C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574470132 949487810 /nfs/dbraw/zinc/48/78/10/949487810.db2.gz MMSVVCYIFIAZHB-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CCCC1 ZINC001575537200 949489174 /nfs/dbraw/zinc/48/91/74/949489174.db2.gz SZSCKXUJKFUSMV-RISCZKNCSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CCCC1 ZINC001575537200 949489187 /nfs/dbraw/zinc/48/91/87/949489187.db2.gz SZSCKXUJKFUSMV-RISCZKNCSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576157723 949491435 /nfs/dbraw/zinc/49/14/35/949491435.db2.gz RSMYJIHHDGUZKG-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576157723 949491447 /nfs/dbraw/zinc/49/14/47/949491447.db2.gz RSMYJIHHDGUZKG-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574949587 949499488 /nfs/dbraw/zinc/49/94/88/949499488.db2.gz YFCWKYVAUOSKPP-JTQLQIEISA-N -1 3 375.824 0.753 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574949587 949499504 /nfs/dbraw/zinc/49/95/04/949499504.db2.gz YFCWKYVAUOSKPP-JTQLQIEISA-N -1 3 375.824 0.753 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574708864 949500175 /nfs/dbraw/zinc/50/01/75/949500175.db2.gz XWVZLDOLJWMESY-RYUDHWBXSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574708864 949500194 /nfs/dbraw/zinc/50/01/94/949500194.db2.gz XWVZLDOLJWMESY-RYUDHWBXSA-N -1 3 387.448 0.311 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574949558 949501256 /nfs/dbraw/zinc/50/12/56/949501256.db2.gz XVMMNLQHUXDUJG-GFCCVEGCSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574949558 949501273 /nfs/dbraw/zinc/50/12/73/949501273.db2.gz XVMMNLQHUXDUJG-GFCCVEGCSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cn1cccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808176 949506092 /nfs/dbraw/zinc/50/60/92/949506092.db2.gz DFKNGQKAVIKCCG-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cn1cccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808176 949506116 /nfs/dbraw/zinc/50/61/16/949506116.db2.gz DFKNGQKAVIKCCG-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1=CCOCC1 ZINC001573808141 949507630 /nfs/dbraw/zinc/50/76/30/949507630.db2.gz CWKKYDMLVVOTPW-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1=CCOCC1 ZINC001573808141 949507649 /nfs/dbraw/zinc/50/76/49/949507649.db2.gz CWKKYDMLVVOTPW-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575267999 949511050 /nfs/dbraw/zinc/51/10/50/949511050.db2.gz LFEYHTRVVALLLH-VHSXEESVSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575267999 949511065 /nfs/dbraw/zinc/51/10/65/949511065.db2.gz LFEYHTRVVALLLH-VHSXEESVSA-N -1 3 379.446 0.002 20 0 GCADHM CC(C)n1ncnc1CN(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574470795 949511729 /nfs/dbraw/zinc/51/17/29/949511729.db2.gz UQZOKFLPZZIJNE-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574470795 949511740 /nfs/dbraw/zinc/51/17/40/949511740.db2.gz UQZOKFLPZZIJNE-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573808392 949512469 /nfs/dbraw/zinc/51/24/69/949512469.db2.gz FSQZLPXPDYTBBB-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573808392 949512497 /nfs/dbraw/zinc/51/24/97/949512497.db2.gz FSQZLPXPDYTBBB-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001574470742 949514724 /nfs/dbraw/zinc/51/47/24/949514724.db2.gz FYNQLEQBQQUUCX-YPMHNXCESA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001574470742 949514742 /nfs/dbraw/zinc/51/47/42/949514742.db2.gz FYNQLEQBQQUUCX-YPMHNXCESA-N -1 3 384.448 0.760 20 0 GCADHM C[C@H](CC(=O)N(C)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574470814 949516357 /nfs/dbraw/zinc/51/63/57/949516357.db2.gz HEWPOTMUFGOBPG-LLVKDONJSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N(C)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574470814 949516370 /nfs/dbraw/zinc/51/63/70/949516370.db2.gz HEWPOTMUFGOBPG-LLVKDONJSA-N -1 3 387.448 0.136 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808483 949517298 /nfs/dbraw/zinc/51/72/98/949517298.db2.gz GLNMRYXBORVXOZ-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808483 949517308 /nfs/dbraw/zinc/51/73/08/949517308.db2.gz GLNMRYXBORVXOZ-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnns1 ZINC001573808530 949518297 /nfs/dbraw/zinc/51/82/97/949518297.db2.gz GZACSLOCACSQBX-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnns1 ZINC001573808530 949518311 /nfs/dbraw/zinc/51/83/11/949518311.db2.gz GZACSLOCACSQBX-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574710767 949519560 /nfs/dbraw/zinc/51/95/60/949519560.db2.gz BBTDESKSEODDCO-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574710767 949519579 /nfs/dbraw/zinc/51/95/79/949519579.db2.gz BBTDESKSEODDCO-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808648 949520371 /nfs/dbraw/zinc/52/03/71/949520371.db2.gz HPLDXKVHFXIYTN-STQMWFEESA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808648 949520385 /nfs/dbraw/zinc/52/03/85/949520385.db2.gz HPLDXKVHFXIYTN-STQMWFEESA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001574122005 949521547 /nfs/dbraw/zinc/52/15/47/949521547.db2.gz SPOGTRHEVZPROS-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001574122005 949521569 /nfs/dbraw/zinc/52/15/69/949521569.db2.gz SPOGTRHEVZPROS-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2=CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575871958 949524371 /nfs/dbraw/zinc/52/43/71/949524371.db2.gz DDADETUBTILVRX-BXUZGUMPSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2=CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575871958 949524381 /nfs/dbraw/zinc/52/43/81/949524381.db2.gz DDADETUBTILVRX-BXUZGUMPSA-N -1 3 385.428 0.651 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cncnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809198 949530895 /nfs/dbraw/zinc/53/08/95/949530895.db2.gz MWLRHFCCMHJOEW-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cncnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809198 949530911 /nfs/dbraw/zinc/53/09/11/949530911.db2.gz MWLRHFCCMHJOEW-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001573809206 949533669 /nfs/dbraw/zinc/53/36/69/949533669.db2.gz NCLRWXWGAMIBFW-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001573809206 949533694 /nfs/dbraw/zinc/53/36/94/949533694.db2.gz NCLRWXWGAMIBFW-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCO1 ZINC001573809182 949534325 /nfs/dbraw/zinc/53/43/25/949534325.db2.gz MNDFXHQZYWWNJD-CHWSQXEVSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCO1 ZINC001573809182 949534330 /nfs/dbraw/zinc/53/43/30/949534330.db2.gz MNDFXHQZYWWNJD-CHWSQXEVSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872122 949534522 /nfs/dbraw/zinc/53/45/22/949534522.db2.gz GQCMGCOWOWANDF-FZMZJTMJSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872122 949534543 /nfs/dbraw/zinc/53/45/43/949534543.db2.gz GQCMGCOWOWANDF-FZMZJTMJSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576163554 949536686 /nfs/dbraw/zinc/53/66/86/949536686.db2.gz BVLWPVVAUSRHHX-CYBMUJFWSA-N -1 3 388.476 0.600 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574123104 949540802 /nfs/dbraw/zinc/54/08/02/949540802.db2.gz GUTUBASQPKEKKF-JOCQHMNTSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574123104 949540819 /nfs/dbraw/zinc/54/08/19/949540819.db2.gz GUTUBASQPKEKKF-JOCQHMNTSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576163935 949543271 /nfs/dbraw/zinc/54/32/71/949543271.db2.gz DHYDCKLNCQMOQA-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576163935 949543276 /nfs/dbraw/zinc/54/32/76/949543276.db2.gz DHYDCKLNCQMOQA-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575539146 949544766 /nfs/dbraw/zinc/54/47/66/949544766.db2.gz NEUGQHDDWUHPJR-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575539146 949544784 /nfs/dbraw/zinc/54/47/84/949544784.db2.gz NEUGQHDDWUHPJR-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576163885 949545092 /nfs/dbraw/zinc/54/50/92/949545092.db2.gz DFTFHKLVVWGIJL-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576163885 949545107 /nfs/dbraw/zinc/54/51/07/949545107.db2.gz DFTFHKLVVWGIJL-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1=COCCO1 ZINC001573809515 949546309 /nfs/dbraw/zinc/54/63/09/949546309.db2.gz QYUPDYZBOQGJLJ-ZDUSSCGKSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1=COCCO1 ZINC001573809515 949546323 /nfs/dbraw/zinc/54/63/23/949546323.db2.gz QYUPDYZBOQGJLJ-ZDUSSCGKSA-N -1 3 389.416 0.344 20 0 GCADHM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)nc1)NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001576164191 949547169 /nfs/dbraw/zinc/54/71/69/949547169.db2.gz DYIRDQMZGCPVSD-CHWSQXEVSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](CN(C)c1ccc(-c2nn[n-]n2)nc1)NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001576164191 949547183 /nfs/dbraw/zinc/54/71/83/949547183.db2.gz DYIRDQMZGCPVSD-CHWSQXEVSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576164195 949547225 /nfs/dbraw/zinc/54/72/25/949547225.db2.gz FAIAOYBEHYWEHM-DOMZBBRYSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCCC[C@@H]1OCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576164195 949547239 /nfs/dbraw/zinc/54/72/39/949547239.db2.gz FAIAOYBEHYWEHM-DOMZBBRYSA-N -1 3 389.460 0.978 20 0 GCADHM CC1(C(=O)N2CCC[C@H](N(CCO)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001575539541 949547256 /nfs/dbraw/zinc/54/72/56/949547256.db2.gz QIZDTCPFDNAXOF-ZDUSSCGKSA-N -1 3 387.444 0.420 20 0 GCADHM CC1(C(=O)N2CCC[C@H](N(CCO)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001575539541 949547272 /nfs/dbraw/zinc/54/72/72/949547272.db2.gz QIZDTCPFDNAXOF-ZDUSSCGKSA-N -1 3 387.444 0.420 20 0 GCADHM CC(C)n1nnc(NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC001574472205 949548939 /nfs/dbraw/zinc/54/89/39/949548939.db2.gz RXKOYIJQVWWOCK-UHFFFAOYSA-N -1 3 383.420 0.788 20 0 GCADHM CC(C)n1nnc(NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC001574472205 949548950 /nfs/dbraw/zinc/54/89/50/949548950.db2.gz RXKOYIJQVWWOCK-UHFFFAOYSA-N -1 3 383.420 0.788 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573809535 949549079 /nfs/dbraw/zinc/54/90/79/949549079.db2.gz RSPDQKKHCCAIOI-WVWOOGAGSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001573809535 949549098 /nfs/dbraw/zinc/54/90/98/949549098.db2.gz RSPDQKKHCCAIOI-WVWOOGAGSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cccnn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809718 949551127 /nfs/dbraw/zinc/55/11/27/949551127.db2.gz UEZUCLIUBWWPEB-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cccnn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809718 949551136 /nfs/dbraw/zinc/55/11/36/949551136.db2.gz UEZUCLIUBWWPEB-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnns1 ZINC001573809700 949553379 /nfs/dbraw/zinc/55/33/79/949553379.db2.gz TZLMUYPSDMRIFU-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnns1 ZINC001573809700 949553395 /nfs/dbraw/zinc/55/33/95/949553395.db2.gz TZLMUYPSDMRIFU-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@H](CNC(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1)N1CCN(C)CC1 ZINC001574951052 949553946 /nfs/dbraw/zinc/55/39/46/949553946.db2.gz XHGBVXPBZAFYTK-MRVPVSSYSA-N -1 3 385.885 0.734 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711790 949556689 /nfs/dbraw/zinc/55/66/89/949556689.db2.gz MESMAZNKBFJQSF-DGCLKSJQSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711790 949556704 /nfs/dbraw/zinc/55/67/04/949556704.db2.gz MESMAZNKBFJQSF-DGCLKSJQSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1)NC(N)=O ZINC001574472846 949557467 /nfs/dbraw/zinc/55/74/67/949557467.db2.gz WLRFBAAFWUBHLB-IINYFYTJSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1)NC(N)=O ZINC001574472846 949557480 /nfs/dbraw/zinc/55/74/80/949557480.db2.gz WLRFBAAFWUBHLB-IINYFYTJSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574123407 949557841 /nfs/dbraw/zinc/55/78/41/949557841.db2.gz XNVCHELREHSRFX-HDJSIYSDSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574123407 949557858 /nfs/dbraw/zinc/55/78/58/949557858.db2.gz XNVCHELREHSRFX-HDJSIYSDSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573810062 949561434 /nfs/dbraw/zinc/56/14/34/949561434.db2.gz YJBXTWKFKMWVKH-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573810062 949561455 /nfs/dbraw/zinc/56/14/55/949561455.db2.gz YJBXTWKFKMWVKH-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncccn1 ZINC001573809983 949561675 /nfs/dbraw/zinc/56/16/75/949561675.db2.gz XDDNGEHQHCRSHR-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncccn1 ZINC001573809983 949561689 /nfs/dbraw/zinc/56/16/89/949561689.db2.gz XDDNGEHQHCRSHR-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576164968 949565635 /nfs/dbraw/zinc/56/56/35/949565635.db2.gz IZCGETDMWBORRG-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576164968 949565653 /nfs/dbraw/zinc/56/56/53/949565653.db2.gz IZCGETDMWBORRG-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574124153 949566579 /nfs/dbraw/zinc/56/65/79/949566579.db2.gz DHNUJKDRHLXDNM-UONOGXRCSA-N -1 3 386.460 0.446 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574124153 949566599 /nfs/dbraw/zinc/56/65/99/949566599.db2.gz DHNUJKDRHLXDNM-UONOGXRCSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575540315 949566864 /nfs/dbraw/zinc/56/68/64/949566864.db2.gz WWHAQDJKAZJHST-XIKOKIGWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575540315 949566883 /nfs/dbraw/zinc/56/68/83/949566883.db2.gz WWHAQDJKAZJHST-XIKOKIGWSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cn1cccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573810117 949567399 /nfs/dbraw/zinc/56/73/99/949567399.db2.gz ZHGHHVWULFIDOV-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cn1cccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573810117 949567409 /nfs/dbraw/zinc/56/74/09/949567409.db2.gz ZHGHHVWULFIDOV-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573810126 949568964 /nfs/dbraw/zinc/56/89/64/949568964.db2.gz ZKCZOTHUWNICDH-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573810126 949568985 /nfs/dbraw/zinc/56/89/85/949568985.db2.gz ZKCZOTHUWNICDH-RISCZKNCSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)C1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001576165325 949570069 /nfs/dbraw/zinc/57/00/69/949570069.db2.gz JPVCSMZUCKTCPL-QWHCGFSZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)C1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001576165325 949570085 /nfs/dbraw/zinc/57/00/85/949570085.db2.gz JPVCSMZUCKTCPL-QWHCGFSZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574475574 949573878 /nfs/dbraw/zinc/57/38/78/949573878.db2.gz BHHZSYHLKJKFJT-MNOVXSKESA-N -1 3 392.489 0.408 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574475574 949573889 /nfs/dbraw/zinc/57/38/89/949573889.db2.gz BHHZSYHLKJKFJT-MNOVXSKESA-N -1 3 392.489 0.408 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575270215 949576549 /nfs/dbraw/zinc/57/65/49/949576549.db2.gz YRGDMZNEOJFVFU-LLVKDONJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575270215 949576564 /nfs/dbraw/zinc/57/65/64/949576564.db2.gz YRGDMZNEOJFVFU-LLVKDONJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576166429 949577232 /nfs/dbraw/zinc/57/72/32/949577232.db2.gz LODDSFRRQDTNTO-STQMWFEESA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)CN(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576166429 949577248 /nfs/dbraw/zinc/57/72/48/949577248.db2.gz LODDSFRRQDTNTO-STQMWFEESA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575270189 949577345 /nfs/dbraw/zinc/57/73/45/949577345.db2.gz YJQGKTVNZKBZMK-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575270189 949577367 /nfs/dbraw/zinc/57/73/67/949577367.db2.gz YJQGKTVNZKBZMK-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001574475875 949579297 /nfs/dbraw/zinc/57/92/97/949579297.db2.gz CULUSIZZNDRJPP-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001574475875 949579315 /nfs/dbraw/zinc/57/93/15/949579315.db2.gz CULUSIZZNDRJPP-GFCCVEGCSA-N -1 3 382.428 0.972 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574124748 949579257 /nfs/dbraw/zinc/57/92/57/949579257.db2.gz MEPRARDVHNYFFQ-AWEZNQCLSA-N -1 3 386.460 0.448 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574124748 949579268 /nfs/dbraw/zinc/57/92/68/949579268.db2.gz MEPRARDVHNYFFQ-AWEZNQCLSA-N -1 3 386.460 0.448 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001574124747 949580658 /nfs/dbraw/zinc/58/06/58/949580658.db2.gz MAKPTCLSNMQXAX-SCRDCRAPSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001574124747 949580673 /nfs/dbraw/zinc/58/06/73/949580673.db2.gz MAKPTCLSNMQXAX-SCRDCRAPSA-N -1 3 386.460 0.716 20 0 GCADHM CC1(C(=O)N2CCCO[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCC1 ZINC001575544473 949583369 /nfs/dbraw/zinc/58/33/69/949583369.db2.gz DFPWHZMHXYBIDL-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCCO[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCC1 ZINC001575544473 949583386 /nfs/dbraw/zinc/58/33/86/949583386.db2.gz DFPWHZMHXYBIDL-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574475980 949585304 /nfs/dbraw/zinc/58/53/04/949585304.db2.gz DSTJTZARKCLIAE-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](NC(=O)CCCn1cncn1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575270365 949586232 /nfs/dbraw/zinc/58/62/32/949586232.db2.gz CIZXQMRXJOHCIJ-MNOVXSKESA-N -1 3 388.411 0.778 20 0 GCADHM C[C@@H](NC(=O)CCCn1cncn1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575270365 949586254 /nfs/dbraw/zinc/58/62/54/949586254.db2.gz CIZXQMRXJOHCIJ-MNOVXSKESA-N -1 3 388.411 0.778 20 0 GCADHM C[C@H](NC(=O)CCCn1cccn1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575270352 949586832 /nfs/dbraw/zinc/58/68/32/949586832.db2.gz CHYASUOVBHHWEK-RYUDHWBXSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H](NC(=O)CCCn1cccn1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575270352 949586851 /nfs/dbraw/zinc/58/68/51/949586851.db2.gz CHYASUOVBHHWEK-RYUDHWBXSA-N -1 3 385.432 0.495 20 0 GCADHM CC1(C(=O)N2CCCO[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC1 ZINC001575544503 949586987 /nfs/dbraw/zinc/58/69/87/949586987.db2.gz DQYDSVWAEYWCNY-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCCO[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC1 ZINC001575544503 949586993 /nfs/dbraw/zinc/58/69/93/949586993.db2.gz DQYDSVWAEYWCNY-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)C[C@@H](C(N)=O)C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574125479 949586960 /nfs/dbraw/zinc/58/69/60/949586960.db2.gz QFBZNZZKHCKRQZ-ZDUSSCGKSA-N -1 3 391.501 0.718 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574476055 949589084 /nfs/dbraw/zinc/58/90/84/949589084.db2.gz FJUSSUCLJHRYDN-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574476055 949589098 /nfs/dbraw/zinc/58/90/98/949589098.db2.gz FJUSSUCLJHRYDN-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001574476155 949589316 /nfs/dbraw/zinc/58/93/16/949589316.db2.gz AZCICFITKNGYHJ-FZMZJTMJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001574476155 949589328 /nfs/dbraw/zinc/58/93/28/949589328.db2.gz AZCICFITKNGYHJ-FZMZJTMJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575873820 949589745 /nfs/dbraw/zinc/58/97/45/949589745.db2.gz QFOMNJGIPYDUDJ-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575873820 949589763 /nfs/dbraw/zinc/58/97/63/949589763.db2.gz QFOMNJGIPYDUDJ-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCCn1ccnc1 ZINC001575270508 949591677 /nfs/dbraw/zinc/59/16/77/949591677.db2.gz DDLNUJWYYVJKKP-NWDGAFQWSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@]1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCOC1 ZINC001575545122 949592925 /nfs/dbraw/zinc/59/29/25/949592925.db2.gz IFNAHUJRRNBJOQ-KDOFPFPSSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@]1(C(=O)N2CCCO[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCOC1 ZINC001575545122 949592941 /nfs/dbraw/zinc/59/29/41/949592941.db2.gz IFNAHUJRRNBJOQ-KDOFPFPSSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@@H](NC(=O)CCCn1ccnc1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270510 949593373 /nfs/dbraw/zinc/59/33/73/949593373.db2.gz DDLNUJWYYVJKKP-VXGBXAGGSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1COCCO1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574713126 949596337 /nfs/dbraw/zinc/59/63/37/949596337.db2.gz VZDXURNWVIGYSA-JOYOIKCWSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1COCCO1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574713126 949596356 /nfs/dbraw/zinc/59/63/56/949596356.db2.gz VZDXURNWVIGYSA-JOYOIKCWSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575545482 949600765 /nfs/dbraw/zinc/60/07/65/949600765.db2.gz LAGJDHRLHRMBGY-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575545482 949600781 /nfs/dbraw/zinc/60/07/81/949600781.db2.gz LAGJDHRLHRMBGY-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575874234 949604419 /nfs/dbraw/zinc/60/44/19/949604419.db2.gz SJHAEXHOGGTOBX-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575874234 949604435 /nfs/dbraw/zinc/60/44/35/949604435.db2.gz SJHAEXHOGGTOBX-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574713545 949604924 /nfs/dbraw/zinc/60/49/24/949604924.db2.gz XZLOFOQUZOMMOE-VIFPVBQESA-N -1 3 382.421 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574713545 949604941 /nfs/dbraw/zinc/60/49/41/949604941.db2.gz XZLOFOQUZOMMOE-VIFPVBQESA-N -1 3 382.421 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574713449 949605327 /nfs/dbraw/zinc/60/53/27/949605327.db2.gz XNMCHCWDVUHBGD-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001574476576 949605610 /nfs/dbraw/zinc/60/56/10/949605610.db2.gz IEGADSHENPUQHV-NSHDSACASA-N -1 3 385.432 0.310 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001574476576 949605625 /nfs/dbraw/zinc/60/56/25/949605625.db2.gz IEGADSHENPUQHV-NSHDSACASA-N -1 3 385.432 0.310 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575874232 949606274 /nfs/dbraw/zinc/60/62/74/949606274.db2.gz SJHAEXHOGGTOBX-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575874232 949606291 /nfs/dbraw/zinc/60/62/91/949606291.db2.gz SJHAEXHOGGTOBX-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCn1cnnn1 ZINC001573811749 949607371 /nfs/dbraw/zinc/60/73/71/949607371.db2.gz NGYULWCROQNFNP-GFCCVEGCSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCn1cnnn1 ZINC001573811749 949607383 /nfs/dbraw/zinc/60/73/83/949607383.db2.gz NGYULWCROQNFNP-GFCCVEGCSA-N -1 3 385.436 0.281 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ncccc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575546097 949607502 /nfs/dbraw/zinc/60/75/02/949607502.db2.gz OTCFXENRBRJDCT-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ncccc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575546097 949607513 /nfs/dbraw/zinc/60/75/13/949607513.db2.gz OTCFXENRBRJDCT-GOSISDBHSA-N -1 3 384.444 0.217 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575271099 949608887 /nfs/dbraw/zinc/60/88/87/949608887.db2.gz IHFZPIVYHVQAKC-MNOVXSKESA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575271099 949608905 /nfs/dbraw/zinc/60/89/05/949608905.db2.gz IHFZPIVYHVQAKC-MNOVXSKESA-N -1 3 381.462 0.392 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574127308 949609736 /nfs/dbraw/zinc/60/97/36/949609736.db2.gz FMMQQBBZSWGISJ-CYBMUJFWSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574127308 949609748 /nfs/dbraw/zinc/60/97/48/949609748.db2.gz FMMQQBBZSWGISJ-CYBMUJFWSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574476609 949610210 /nfs/dbraw/zinc/61/02/10/949610210.db2.gz FCPBEXHDJPOEGM-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574476609 949610224 /nfs/dbraw/zinc/61/02/24/949610224.db2.gz FCPBEXHDJPOEGM-ABAIWWIYSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573811992 949613045 /nfs/dbraw/zinc/61/30/45/949613045.db2.gz OZHAQYHODHIYLU-OLZOCXBDSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573811992 949613062 /nfs/dbraw/zinc/61/30/62/949613062.db2.gz OZHAQYHODHIYLU-OLZOCXBDSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575546635 949613985 /nfs/dbraw/zinc/61/39/85/949613985.db2.gz ROYXWYRFZWPNEQ-KPZWWZAWSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNc2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575546635 949613994 /nfs/dbraw/zinc/61/39/94/949613994.db2.gz ROYXWYRFZWPNEQ-KPZWWZAWSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167882 949616291 /nfs/dbraw/zinc/61/62/91/949616291.db2.gz AAJRNSGLYHYUEZ-RISCZKNCSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576167678 949617794 /nfs/dbraw/zinc/61/77/94/949617794.db2.gz DQHIKGPCOFVTSW-AAEUAGOBSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576167678 949617814 /nfs/dbraw/zinc/61/78/14/949617814.db2.gz DQHIKGPCOFVTSW-AAEUAGOBSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575271551 949618400 /nfs/dbraw/zinc/61/84/00/949618400.db2.gz KPBLHAPXFMDQGJ-WDEREUQCSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001575271551 949618419 /nfs/dbraw/zinc/61/84/19/949618419.db2.gz KPBLHAPXFMDQGJ-WDEREUQCSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575271453 949618661 /nfs/dbraw/zinc/61/86/61/949618661.db2.gz KKLOWMOYRFJWRA-WDEREUQCSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCCC(=O)N(C)C ZINC001575271453 949618677 /nfs/dbraw/zinc/61/86/77/949618677.db2.gz KKLOWMOYRFJWRA-WDEREUQCSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@@H](NC(=O)CCCn1ccnc1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575271417 949619711 /nfs/dbraw/zinc/61/97/11/949619711.db2.gz KGFFCKGRCRMCPN-NEPJUHHUSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)CCCn1ccnc1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575271417 949619719 /nfs/dbraw/zinc/61/97/19/949619719.db2.gz KGFFCKGRCRMCPN-NEPJUHHUSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575874821 949621430 /nfs/dbraw/zinc/62/14/30/949621430.db2.gz HEENJWXGFVUPEE-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575874821 949621441 /nfs/dbraw/zinc/62/14/41/949621441.db2.gz HEENJWXGFVUPEE-NWDGAFQWSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874834 949621641 /nfs/dbraw/zinc/62/16/41/949621641.db2.gz HGTPJTNFDDDYPC-WCQYABFASA-N -1 3 382.432 0.486 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874834 949621656 /nfs/dbraw/zinc/62/16/56/949621656.db2.gz HGTPJTNFDDDYPC-WCQYABFASA-N -1 3 382.432 0.486 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574957641 949621918 /nfs/dbraw/zinc/62/19/18/949621918.db2.gz DGJAGKYUYQKLOW-MNOVXSKESA-N -1 3 384.400 0.590 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574957641 949621937 /nfs/dbraw/zinc/62/19/37/949621937.db2.gz DGJAGKYUYQKLOW-MNOVXSKESA-N -1 3 384.400 0.590 20 0 GCADHM C[C@H]1[C@H](NC(=O)COC2CCCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575874827 949622084 /nfs/dbraw/zinc/62/20/84/949622084.db2.gz HESDQNIENAXULF-SMDDNHRTSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H]1[C@H](NC(=O)COC2CCCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575874827 949622098 /nfs/dbraw/zinc/62/20/98/949622098.db2.gz HESDQNIENAXULF-SMDDNHRTSA-N -1 3 387.444 0.873 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574128152 949622588 /nfs/dbraw/zinc/62/25/88/949622588.db2.gz LWSVHRYVECAGQQ-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)CC(C)(C)C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574128152 949622601 /nfs/dbraw/zinc/62/26/01/949622601.db2.gz LWSVHRYVECAGQQ-UHFFFAOYSA-N -1 3 391.476 0.818 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574128248 949624049 /nfs/dbraw/zinc/62/40/49/949624049.db2.gz MSWMNBZEKKJUGR-GFCCVEGCSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574128248 949624058 /nfs/dbraw/zinc/62/40/58/949624058.db2.gz MSWMNBZEKKJUGR-GFCCVEGCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)C(=O)N1CCC[C@H](C)C1 ZINC001576168025 949626279 /nfs/dbraw/zinc/62/62/79/949626279.db2.gz SAJDOMRUFOXKFH-QWHCGFSZSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)C(=O)N1CCC[C@H](C)C1 ZINC001576168025 949626291 /nfs/dbraw/zinc/62/62/91/949626291.db2.gz SAJDOMRUFOXKFH-QWHCGFSZSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575875222 949626720 /nfs/dbraw/zinc/62/67/20/949626720.db2.gz HQBKJFMRQDXQSK-DZGCQCFKSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@H]1[C@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575875222 949626728 /nfs/dbraw/zinc/62/67/28/949626728.db2.gz HQBKJFMRQDXQSK-DZGCQCFKSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168033 949627199 /nfs/dbraw/zinc/62/71/99/949627199.db2.gz BGXWJYAGMQMUQD-BXUZGUMPSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168033 949627211 /nfs/dbraw/zinc/62/72/11/949627211.db2.gz BGXWJYAGMQMUQD-BXUZGUMPSA-N -1 3 382.432 0.662 20 0 GCADHM CC1(C(=O)N2CCN(C3CN(Cc4ccc(-c5nn[n-]n5)cc4)C3)CC2)CC1 ZINC001575547605 949631381 /nfs/dbraw/zinc/63/13/81/949631381.db2.gz CMHAWYIEDTXXTD-UHFFFAOYSA-N -1 3 381.484 0.995 20 0 GCADHM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574957759 949633143 /nfs/dbraw/zinc/63/31/43/949633143.db2.gz HQGBMAWFVNCBBM-QEKSWQHZSA-N -1 3 377.836 0.893 20 0 GCADHM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574957759 949633155 /nfs/dbraw/zinc/63/31/55/949633155.db2.gz HQGBMAWFVNCBBM-QEKSWQHZSA-N -1 3 377.836 0.893 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574714841 949636711 /nfs/dbraw/zinc/63/67/11/949636711.db2.gz GTJCRPVBIGRAPX-CMPLNLGQSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574714841 949636723 /nfs/dbraw/zinc/63/67/23/949636723.db2.gz GTJCRPVBIGRAPX-CMPLNLGQSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576168382 949637045 /nfs/dbraw/zinc/63/70/45/949637045.db2.gz GRLDXLVZFOUKKD-YPMHNXCESA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576168382 949637055 /nfs/dbraw/zinc/63/70/55/949637055.db2.gz GRLDXLVZFOUKKD-YPMHNXCESA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575876017 949637489 /nfs/dbraw/zinc/63/74/89/949637489.db2.gz IRRSDUHZNRSCON-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575876017 949637496 /nfs/dbraw/zinc/63/74/96/949637496.db2.gz IRRSDUHZNRSCON-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM CC1(C(=O)N2CCOC3(CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)C2)CCC1 ZINC001575547721 949638535 /nfs/dbraw/zinc/63/85/35/949638535.db2.gz FOOBRWYEGOPMHZ-UHFFFAOYSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CCOC3(CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)CCC1 ZINC001575547721 949638550 /nfs/dbraw/zinc/63/85/50/949638550.db2.gz FOOBRWYEGOPMHZ-UHFFFAOYSA-N -1 3 385.428 0.438 20 0 GCADHM C[C@]1(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)c(F)c3)CC2)CCNC1=O ZINC001575547815 949642341 /nfs/dbraw/zinc/64/23/41/949642341.db2.gz LDDDSLXZAATYAF-SFHVURJKSA-N -1 3 387.419 0.176 20 0 GCADHM C[C@]1(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)c(F)c3)CC2)CCNC1=O ZINC001575547815 949642357 /nfs/dbraw/zinc/64/23/57/949642357.db2.gz LDDDSLXZAATYAF-SFHVURJKSA-N -1 3 387.419 0.176 20 0 GCADHM CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)C2)CC1 ZINC001575547858 949644155 /nfs/dbraw/zinc/64/41/55/949644155.db2.gz HJEQVYPFEGBSNG-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)C2)CC1 ZINC001575547858 949644162 /nfs/dbraw/zinc/64/41/62/949644162.db2.gz HJEQVYPFEGBSNG-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001574129726 949644524 /nfs/dbraw/zinc/64/45/24/949644524.db2.gz WGBRYNLDFDPDEJ-KGLIPLIRSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001574129726 949644537 /nfs/dbraw/zinc/64/45/37/949644537.db2.gz WGBRYNLDFDPDEJ-KGLIPLIRSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCn1cncn1 ZINC001573814519 949644528 /nfs/dbraw/zinc/64/45/28/949644528.db2.gz DHJNCCGTVLZCPM-CQSZACIVSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CCn1cncn1 ZINC001573814519 949644538 /nfs/dbraw/zinc/64/45/38/949644538.db2.gz DHJNCCGTVLZCPM-CQSZACIVSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575876622 949646404 /nfs/dbraw/zinc/64/64/04/949646404.db2.gz JZRWMNWWGLZAKB-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575876622 949646424 /nfs/dbraw/zinc/64/64/24/949646424.db2.gz JZRWMNWWGLZAKB-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574477236 949646711 /nfs/dbraw/zinc/64/67/11/949646711.db2.gz MJIUTOGYBGSDDR-NHYWBVRUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574477236 949646729 /nfs/dbraw/zinc/64/67/29/949646729.db2.gz MJIUTOGYBGSDDR-NHYWBVRUSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1ccnc1 ZINC001573815092 949646808 /nfs/dbraw/zinc/64/68/08/949646808.db2.gz GIEVRTSVMALFDY-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1ccnc1 ZINC001573815092 949646824 /nfs/dbraw/zinc/64/68/24/949646824.db2.gz GIEVRTSVMALFDY-ZDUSSCGKSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715214 949648610 /nfs/dbraw/zinc/64/86/10/949648610.db2.gz HZBFXMNPAYYEMC-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715214 949648622 /nfs/dbraw/zinc/64/86/22/949648622.db2.gz HZBFXMNPAYYEMC-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)CCn1ccnc1 ZINC001573815087 949649522 /nfs/dbraw/zinc/64/95/22/949649522.db2.gz GIEVRTSVMALFDY-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)CCn1ccnc1 ZINC001573815087 949649537 /nfs/dbraw/zinc/64/95/37/949649537.db2.gz GIEVRTSVMALFDY-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574958078 949650661 /nfs/dbraw/zinc/65/06/61/949650661.db2.gz FQRKJLORJVZUEP-WCFLWFBJSA-N -1 3 382.432 0.358 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574958078 949650676 /nfs/dbraw/zinc/65/06/76/949650676.db2.gz FQRKJLORJVZUEP-WCFLWFBJSA-N -1 3 382.432 0.358 20 0 GCADHM C[C@H](CC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1)NC(N)=O 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/nfs/dbraw/zinc/65/41/21/949654121.db2.gz CYQJRVWVCCQMQG-ZDUSSCGKSA-N -1 3 388.476 0.457 20 0 GCADHM CC(C)(C)[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001573815767 949656240 /nfs/dbraw/zinc/65/62/40/949656240.db2.gz KBSAURMOJYAYDD-NEPJUHHUSA-N -1 3 390.423 0.630 20 0 GCADHM CC(C)(C)[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)[C@H]1CNC(=O)N1 ZINC001573815767 949656252 /nfs/dbraw/zinc/65/62/52/949656252.db2.gz KBSAURMOJYAYDD-NEPJUHHUSA-N -1 3 390.423 0.630 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575877119 949656929 /nfs/dbraw/zinc/65/69/29/949656929.db2.gz KWAWJVILUAEQFD-YPMHNXCESA-N -1 3 382.432 0.486 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2c[nH]cn2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575877119 949656946 /nfs/dbraw/zinc/65/69/46/949656946.db2.gz KWAWJVILUAEQFD-YPMHNXCESA-N -1 3 382.432 0.486 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574131385 949657951 /nfs/dbraw/zinc/65/79/51/949657951.db2.gz DNXXXEKEGJLUCA-OLZOCXBDSA-N -1 3 391.476 0.768 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574131385 949657962 /nfs/dbraw/zinc/65/79/62/949657962.db2.gz DNXXXEKEGJLUCA-OLZOCXBDSA-N -1 3 391.476 0.768 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575877192 949658058 /nfs/dbraw/zinc/65/80/58/949658058.db2.gz LAIPVSFGMUSVBE-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575877192 949658069 /nfs/dbraw/zinc/65/80/69/949658069.db2.gz LAIPVSFGMUSVBE-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575877222 949658343 /nfs/dbraw/zinc/65/83/43/949658343.db2.gz LCKRGWCPSWGZKU-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575877222 949658351 /nfs/dbraw/zinc/65/83/51/949658351.db2.gz LCKRGWCPSWGZKU-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001574477583 949664364 /nfs/dbraw/zinc/66/43/64/949664364.db2.gz SJIFYFONHCWRHG-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001574477583 949664374 /nfs/dbraw/zinc/66/43/74/949664374.db2.gz SJIFYFONHCWRHG-SWLSCSKDSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575273563 949664695 /nfs/dbraw/zinc/66/46/95/949664695.db2.gz WLOIBFFZBPAMGJ-JTQLQIEISA-N -1 3 390.423 0.001 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@H]1CCNC1=O ZINC001573816184 949669129 /nfs/dbraw/zinc/66/91/29/949669129.db2.gz PMUNKUYEMCSHKX-BXUZGUMPSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@H]1CCNC1=O ZINC001573816184 949669142 /nfs/dbraw/zinc/66/91/42/949669142.db2.gz PMUNKUYEMCSHKX-BXUZGUMPSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575548405 949673127 /nfs/dbraw/zinc/67/31/27/949673127.db2.gz ZTFAZSZESWXTAD-YRILPIOLSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575548405 949673139 /nfs/dbraw/zinc/67/31/39/949673139.db2.gz ZTFAZSZESWXTAD-YRILPIOLSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001574477706 949673880 /nfs/dbraw/zinc/67/38/80/949673880.db2.gz UJPXFZOGJNXLOH-RISCZKNCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001574477706 949673895 /nfs/dbraw/zinc/67/38/95/949673895.db2.gz UJPXFZOGJNXLOH-RISCZKNCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575274098 949677356 /nfs/dbraw/zinc/67/73/56/949677356.db2.gz YPRRKHJKFBBKCS-GXFFZTMASA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575274098 949677374 /nfs/dbraw/zinc/67/73/74/949677374.db2.gz YPRRKHJKFBBKCS-GXFFZTMASA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575552221 949677629 /nfs/dbraw/zinc/67/76/29/949677629.db2.gz DNDCOTZZDMTHBD-ZJNRKIDTSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575552221 949677645 /nfs/dbraw/zinc/67/76/45/949677645.db2.gz DNDCOTZZDMTHBD-ZJNRKIDTSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574477856 949677768 /nfs/dbraw/zinc/67/77/68/949677768.db2.gz VLMLZABHMGMTJH-QWHCGFSZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574477856 949677777 /nfs/dbraw/zinc/67/77/77/949677777.db2.gz VLMLZABHMGMTJH-QWHCGFSZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574477851 949677945 /nfs/dbraw/zinc/67/79/45/949677945.db2.gz VLMLZABHMGMTJH-CHWSQXEVSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574477851 949677954 /nfs/dbraw/zinc/67/79/54/949677954.db2.gz VLMLZABHMGMTJH-CHWSQXEVSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001574477804 949678558 /nfs/dbraw/zinc/67/85/58/949678558.db2.gz SACNYZSTCOXCBY-XHDPSFHLSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001574477804 949678570 /nfs/dbraw/zinc/67/85/70/949678570.db2.gz SACNYZSTCOXCBY-XHDPSFHLSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575274119 949678607 /nfs/dbraw/zinc/67/86/07/949678607.db2.gz YVTVNBUYKKFVHK-GHMZBOCLSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575274119 949678624 /nfs/dbraw/zinc/67/86/24/949678624.db2.gz YVTVNBUYKKFVHK-GHMZBOCLSA-N -1 3 390.448 0.076 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575274120 949679162 /nfs/dbraw/zinc/67/91/62/949679162.db2.gz YVTVNBUYKKFVHK-MNOVXSKESA-N -1 3 390.448 0.076 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574477797 949679018 /nfs/dbraw/zinc/67/90/18/949679018.db2.gz RZGGPDDSYOKQIP-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574477797 949679038 /nfs/dbraw/zinc/67/90/38/949679038.db2.gz RZGGPDDSYOKQIP-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576169477 949679343 /nfs/dbraw/zinc/67/93/43/949679343.db2.gz YAUWTIHOBCFDKL-LBPRGKRZSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575878763 949679236 /nfs/dbraw/zinc/67/92/36/949679236.db2.gz OXTMOGRYISQPBO-RISCZKNCSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575878763 949679260 /nfs/dbraw/zinc/67/92/60/949679260.db2.gz OXTMOGRYISQPBO-RISCZKNCSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575274120 949679181 /nfs/dbraw/zinc/67/91/81/949679181.db2.gz YVTVNBUYKKFVHK-MNOVXSKESA-N -1 3 390.448 0.076 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576169477 949679367 /nfs/dbraw/zinc/67/93/67/949679367.db2.gz YAUWTIHOBCFDKL-LBPRGKRZSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575878802 949680313 /nfs/dbraw/zinc/68/03/13/949680313.db2.gz PFKCBZIPMXEVHH-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575878802 949680326 /nfs/dbraw/zinc/68/03/26/949680326.db2.gz PFKCBZIPMXEVHH-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574132173 949681037 /nfs/dbraw/zinc/68/10/37/949681037.db2.gz RTJDJQFOXZOPNU-SGTLLEGYSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574132173 949681049 /nfs/dbraw/zinc/68/10/49/949681049.db2.gz RTJDJQFOXZOPNU-SGTLLEGYSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574716289 949682378 /nfs/dbraw/zinc/68/23/78/949682378.db2.gz IKRNKIMUYLBUKR-ZJUUUORDSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574716289 949682389 /nfs/dbraw/zinc/68/23/89/949682389.db2.gz IKRNKIMUYLBUKR-ZJUUUORDSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ncccc1-c1nnn[n-]1 ZINC001574958634 949682918 /nfs/dbraw/zinc/68/29/18/949682918.db2.gz LURASCLRVYRLMJ-TUKIKUTGSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ncccc1-c1nn[n-]n1 ZINC001574958634 949682939 /nfs/dbraw/zinc/68/29/39/949682939.db2.gz LURASCLRVYRLMJ-TUKIKUTGSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](CC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574477941 949683423 /nfs/dbraw/zinc/68/34/23/949683423.db2.gz SWSCPOGWYQMJJJ-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574477941 949683439 /nfs/dbraw/zinc/68/34/39/949683439.db2.gz SWSCPOGWYQMJJJ-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574958667 949683916 /nfs/dbraw/zinc/68/39/16/949683916.db2.gz VBKRPYPQALLDIS-BKTMZONDSA-N -1 3 385.428 0.102 20 0 GCADHM C[C@](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574958667 949683932 /nfs/dbraw/zinc/68/39/32/949683932.db2.gz VBKRPYPQALLDIS-BKTMZONDSA-N -1 3 385.428 0.102 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574132253 949685903 /nfs/dbraw/zinc/68/59/03/949685903.db2.gz UJXJJCHVOANWIK-JSGCOSHPSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574132253 949685913 /nfs/dbraw/zinc/68/59/13/949685913.db2.gz UJXJJCHVOANWIK-JSGCOSHPSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573816915 949687490 /nfs/dbraw/zinc/68/74/90/949687490.db2.gz VLZKYZKDUZGSCJ-RISCZKNCSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573816915 949687509 /nfs/dbraw/zinc/68/75/09/949687509.db2.gz VLZKYZKDUZGSCJ-RISCZKNCSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574477947 949687827 /nfs/dbraw/zinc/68/78/27/949687827.db2.gz WMJFLPNTDSHDRN-WCQYABFASA-N -1 3 389.460 0.522 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574477947 949687843 /nfs/dbraw/zinc/68/78/43/949687843.db2.gz WMJFLPNTDSHDRN-WCQYABFASA-N -1 3 389.460 0.522 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574132273 949689285 /nfs/dbraw/zinc/68/92/85/949689285.db2.gz UPZLYOPYUBNQFZ-QWHCGFSZSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574132273 949689298 /nfs/dbraw/zinc/68/92/98/949689298.db2.gz UPZLYOPYUBNQFZ-QWHCGFSZSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574477944 949689874 /nfs/dbraw/zinc/68/98/74/949689874.db2.gz WMJFLPNTDSHDRN-AAEUAGOBSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@H](NC(=O)CCc1cnccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575274572 949689722 /nfs/dbraw/zinc/68/97/22/949689722.db2.gz AMFIZSRKNYXMNB-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1cnccn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575274572 949689741 /nfs/dbraw/zinc/68/97/41/949689741.db2.gz AMFIZSRKNYXMNB-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)CCCOC1 ZINC001575553562 949689975 /nfs/dbraw/zinc/68/99/75/949689975.db2.gz LODXQOWTCJFOHA-HGQUKEQDSA-N -1 3 399.455 0.684 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574477944 949689911 /nfs/dbraw/zinc/68/99/11/949689911.db2.gz WMJFLPNTDSHDRN-AAEUAGOBSA-N -1 3 389.460 0.522 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)CCCOC1 ZINC001575553562 949689990 /nfs/dbraw/zinc/68/99/90/949689990.db2.gz LODXQOWTCJFOHA-HGQUKEQDSA-N -1 3 399.455 0.684 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001574477998 949691088 /nfs/dbraw/zinc/69/10/88/949691088.db2.gz UDNPAFZQHWFARA-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001574477998 949691100 /nfs/dbraw/zinc/69/11/00/949691100.db2.gz UDNPAFZQHWFARA-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575880186 949692670 /nfs/dbraw/zinc/69/26/70/949692670.db2.gz SBFRKKAFCIIKTR-HIFRSBDPSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575880186 949692677 /nfs/dbraw/zinc/69/26/77/949692677.db2.gz SBFRKKAFCIIKTR-HIFRSBDPSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574478087 949693877 /nfs/dbraw/zinc/69/38/77/949693877.db2.gz XPECKRCPRZDSMH-GXTWGEPZSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574478087 949693889 /nfs/dbraw/zinc/69/38/89/949693889.db2.gz XPECKRCPRZDSMH-GXTWGEPZSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](NC(=O)CCc1ncccn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575275083 949696037 /nfs/dbraw/zinc/69/60/37/949696037.db2.gz BZOKSTDYEZAVKG-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1ncccn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575275083 949696046 /nfs/dbraw/zinc/69/60/46/949696046.db2.gz BZOKSTDYEZAVKG-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574716595 949696864 /nfs/dbraw/zinc/69/68/64/949696864.db2.gz KWMNYNNQZYMVKG-NSHDSACASA-N -1 3 392.439 0.918 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574716595 949696876 /nfs/dbraw/zinc/69/68/76/949696876.db2.gz KWMNYNNQZYMVKG-NSHDSACASA-N -1 3 392.439 0.918 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716603 949697068 /nfs/dbraw/zinc/69/70/68/949697068.db2.gz KZTZPHORSSUVKO-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716603 949697084 /nfs/dbraw/zinc/69/70/84/949697084.db2.gz KZTZPHORSSUVKO-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574132427 949697343 /nfs/dbraw/zinc/69/73/43/949697343.db2.gz ZNGDOMYTMRNRQQ-LERXQTSPSA-N -1 3 375.433 0.179 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574132427 949697354 /nfs/dbraw/zinc/69/73/54/949697354.db2.gz ZNGDOMYTMRNRQQ-LERXQTSPSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575275806 949699097 /nfs/dbraw/zinc/69/90/97/949699097.db2.gz DTAPWZSKEIDFKY-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](NC(=O)CCc1cncs1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575275806 949699118 /nfs/dbraw/zinc/69/91/18/949699118.db2.gz DTAPWZSKEIDFKY-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574958978 949699489 /nfs/dbraw/zinc/69/94/89/949699489.db2.gz XCJVWCABWLHJBX-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574958978 949699513 /nfs/dbraw/zinc/69/95/13/949699513.db2.gz XCJVWCABWLHJBX-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](NC(=O)CCc1ccnn1C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575275500 949702394 /nfs/dbraw/zinc/70/23/94/949702394.db2.gz DOXHKXKFYWSSSS-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1ccnn1C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575275500 949702408 /nfs/dbraw/zinc/70/24/08/949702408.db2.gz DOXHKXKFYWSSSS-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)c1cnco1 ZINC001576170072 949704068 /nfs/dbraw/zinc/70/40/68/949704068.db2.gz JFVXCEWOHDQYCI-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1cnco1 ZINC001576170072 949704083 /nfs/dbraw/zinc/70/40/83/949704083.db2.gz JFVXCEWOHDQYCI-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575275913 949707878 /nfs/dbraw/zinc/70/78/78/949707878.db2.gz FUHKLOYIUFSMBK-NXEZZACHSA-N -1 3 384.437 0.746 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575275913 949707892 /nfs/dbraw/zinc/70/78/92/949707892.db2.gz FUHKLOYIUFSMBK-NXEZZACHSA-N -1 3 384.437 0.746 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574133049 949707844 /nfs/dbraw/zinc/70/78/44/949707844.db2.gz DAPIEODWXLBLNA-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574133049 949707858 /nfs/dbraw/zinc/70/78/58/949707858.db2.gz DAPIEODWXLBLNA-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276137 949709947 /nfs/dbraw/zinc/70/99/47/949709947.db2.gz GVRQCMSLMAZYCX-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276137 949709972 /nfs/dbraw/zinc/70/99/72/949709972.db2.gz GVRQCMSLMAZYCX-MNOVXSKESA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1cocn1 ZINC001576170306 949711809 /nfs/dbraw/zinc/71/18/09/949711809.db2.gz KBODDNICMWLFOI-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1cocn1 ZINC001576170306 949711826 /nfs/dbraw/zinc/71/18/26/949711826.db2.gz KBODDNICMWLFOI-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574478604 949714575 /nfs/dbraw/zinc/71/45/75/949714575.db2.gz ZCFZXDWHHLYCEG-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574478604 949714589 /nfs/dbraw/zinc/71/45/89/949714589.db2.gz ZCFZXDWHHLYCEG-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716929 949716775 /nfs/dbraw/zinc/71/67/75/949716775.db2.gz RYSISJZDURTQOV-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716929 949716791 /nfs/dbraw/zinc/71/67/91/949716791.db2.gz RYSISJZDURTQOV-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001574478649 949717896 /nfs/dbraw/zinc/71/78/96/949717896.db2.gz ZZZDAJGKVKAKKN-DZGCQCFKSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001574478649 949717907 /nfs/dbraw/zinc/71/79/07/949717907.db2.gz ZZZDAJGKVKAKKN-DZGCQCFKSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574959799 949718692 /nfs/dbraw/zinc/71/86/92/949718692.db2.gz UGGQALOCTBBDIR-KGYLQXTDSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574959799 949718714 /nfs/dbraw/zinc/71/87/14/949718714.db2.gz UGGQALOCTBBDIR-KGYLQXTDSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170488 949718791 /nfs/dbraw/zinc/71/87/91/949718791.db2.gz LGPQUIUDQCCEBI-SWLSCSKDSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170488 949718813 /nfs/dbraw/zinc/71/88/13/949718813.db2.gz LGPQUIUDQCCEBI-SWLSCSKDSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716928 949719394 /nfs/dbraw/zinc/71/93/94/949719394.db2.gz RYSISJZDURTQOV-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716928 949719405 /nfs/dbraw/zinc/71/94/05/949719405.db2.gz RYSISJZDURTQOV-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCC[C@@H](C)C1 ZINC001576170453 949720259 /nfs/dbraw/zinc/72/02/59/949720259.db2.gz KTSJKKUAAVYOKK-OLZOCXBDSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)N1CCC[C@@H](C)C1 ZINC001576170453 949720278 /nfs/dbraw/zinc/72/02/78/949720278.db2.gz KTSJKKUAAVYOKK-OLZOCXBDSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170517 949722667 /nfs/dbraw/zinc/72/26/67/949722667.db2.gz LVGGBXBJLFIOHC-FZMZJTMJSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170517 949722687 /nfs/dbraw/zinc/72/26/87/949722687.db2.gz LVGGBXBJLFIOHC-FZMZJTMJSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H](C)n1cccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574717090 949723059 /nfs/dbraw/zinc/72/30/59/949723059.db2.gz UFEIHHPWFUQOEC-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H](C)n1cccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574717090 949723076 /nfs/dbraw/zinc/72/30/76/949723076.db2.gz UFEIHHPWFUQOEC-VXGBXAGGSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574479086 949728294 /nfs/dbraw/zinc/72/82/94/949728294.db2.gz CRQWEQISXHFRDU-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)c1cocn1 ZINC001576170651 949729140 /nfs/dbraw/zinc/72/91/40/949729140.db2.gz MIHQRZQJFZJMIQ-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1cocn1 ZINC001576170651 949729150 /nfs/dbraw/zinc/72/91/50/949729150.db2.gz MIHQRZQJFZJMIQ-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276763 949731471 /nfs/dbraw/zinc/73/14/71/949731471.db2.gz LAZYDQCFHUAMTJ-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](NC(=O)CCc1cnn(C)c1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276763 949731493 /nfs/dbraw/zinc/73/14/93/949731493.db2.gz LAZYDQCFHUAMTJ-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCC[C@@H](C)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576170677 949731756 /nfs/dbraw/zinc/73/17/56/949731756.db2.gz NBUZMEQQAXLJBF-OLZOCXBDSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276863 949734850 /nfs/dbraw/zinc/73/48/50/949734850.db2.gz MEQWBXXGUJYJCY-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276863 949734866 /nfs/dbraw/zinc/73/48/66/949734866.db2.gz MEQWBXXGUJYJCY-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574135713 949734941 /nfs/dbraw/zinc/73/49/41/949734941.db2.gz LRKCUKLPZFKCDO-TZMCWYRMSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574135713 949734954 /nfs/dbraw/zinc/73/49/54/949734954.db2.gz LRKCUKLPZFKCDO-TZMCWYRMSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCOC1 ZINC001575558485 949737481 /nfs/dbraw/zinc/73/74/81/949737481.db2.gz QBPGCBBEWIFZEP-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCOC1 ZINC001575558485 949737497 /nfs/dbraw/zinc/73/74/97/949737497.db2.gz QBPGCBBEWIFZEP-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574479684 949738587 /nfs/dbraw/zinc/73/85/87/949738587.db2.gz FLKQQKRGNAFDDQ-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574479684 949738606 /nfs/dbraw/zinc/73/86/06/949738606.db2.gz FLKQQKRGNAFDDQ-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)CCOC1 ZINC001575558101 949738589 /nfs/dbraw/zinc/73/85/89/949738589.db2.gz OOHCBFTYABDFAG-MCTLKSGKSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)CCOC1 ZINC001575558101 949738603 /nfs/dbraw/zinc/73/86/03/949738603.db2.gz OOHCBFTYABDFAG-MCTLKSGKSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574480145 949742002 /nfs/dbraw/zinc/74/20/02/949742002.db2.gz GYVGYYHLDKLJHN-YPMHNXCESA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574480145 949742012 /nfs/dbraw/zinc/74/20/12/949742012.db2.gz GYVGYYHLDKLJHN-YPMHNXCESA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575277077 949742650 /nfs/dbraw/zinc/74/26/50/949742650.db2.gz NINQZSXATKXZJB-LBPRGKRZSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575277077 949742668 /nfs/dbraw/zinc/74/26/68/949742668.db2.gz NINQZSXATKXZJB-LBPRGKRZSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277191 949744902 /nfs/dbraw/zinc/74/49/02/949744902.db2.gz ORNBNVOMZJOKQK-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277191 949744913 /nfs/dbraw/zinc/74/49/13/949744913.db2.gz ORNBNVOMZJOKQK-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277195 949745890 /nfs/dbraw/zinc/74/58/90/949745890.db2.gz ORNBNVOMZJOKQK-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncc1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277195 949745908 /nfs/dbraw/zinc/74/59/08/949745908.db2.gz ORNBNVOMZJOKQK-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CCN(c4ncccc4-c4nnn[n-]4)C[C@H]3C2)CCOC1 ZINC001575558841 949746219 /nfs/dbraw/zinc/74/62/19/949746219.db2.gz SNHLGUNGIQOTCV-BIENJYKASA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CCN(c4ncccc4-c4nn[n-]n4)C[C@H]3C2)CCOC1 ZINC001575558841 949746233 /nfs/dbraw/zinc/74/62/33/949746233.db2.gz SNHLGUNGIQOTCV-BIENJYKASA-N -1 3 383.456 0.973 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)c1ccn[nH]1 ZINC001576171019 949747208 /nfs/dbraw/zinc/74/72/08/949747208.db2.gz OQHODIKHDVQAHS-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1ccn[nH]1 ZINC001576171019 949747216 /nfs/dbraw/zinc/74/72/16/949747216.db2.gz OQHODIKHDVQAHS-YGRLFVJLSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001576171017 949747517 /nfs/dbraw/zinc/74/75/17/949747517.db2.gz OQHODIKHDVQAHS-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001576171017 949747534 /nfs/dbraw/zinc/74/75/34/949747534.db2.gz OQHODIKHDVQAHS-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574963611 949753788 /nfs/dbraw/zinc/75/37/88/949753788.db2.gz KAMAVCIDHZPICO-LDYMZIIASA-N -1 3 378.824 0.358 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574963611 949753807 /nfs/dbraw/zinc/75/38/07/949753807.db2.gz KAMAVCIDHZPICO-LDYMZIIASA-N -1 3 378.824 0.358 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574717998 949755071 /nfs/dbraw/zinc/75/50/71/949755071.db2.gz YEDZQCCYQLJTHP-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H](C)n1cccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574717998 949755091 /nfs/dbraw/zinc/75/50/91/949755091.db2.gz YEDZQCCYQLJTHP-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)CCCCNC(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574718029 949758791 /nfs/dbraw/zinc/75/87/91/949758791.db2.gz RHTCLFONAQGMFH-LLVKDONJSA-N -1 3 375.437 0.359 20 0 GCADHM C[C@H](CN(C)C(=O)CCCCNC(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574718029 949758812 /nfs/dbraw/zinc/75/88/12/949758812.db2.gz RHTCLFONAQGMFH-LLVKDONJSA-N -1 3 375.437 0.359 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574963759 949760749 /nfs/dbraw/zinc/76/07/49/949760749.db2.gz MIAAZXNKEQUFFF-XHDPSFHLSA-N -1 3 389.435 0.611 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574137650 949762514 /nfs/dbraw/zinc/76/25/14/949762514.db2.gz WGPUQXFQHSXLSM-NILFDRSVSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574137650 949762529 /nfs/dbraw/zinc/76/25/29/949762529.db2.gz WGPUQXFQHSXLSM-NILFDRSVSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575882265 949763239 /nfs/dbraw/zinc/76/32/39/949763239.db2.gz IEQIJLOKWNHGJN-IGMMHVEYSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575882265 949763252 /nfs/dbraw/zinc/76/32/52/949763252.db2.gz IEQIJLOKWNHGJN-IGMMHVEYSA-N -1 3 385.428 0.197 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001574137648 949764318 /nfs/dbraw/zinc/76/43/18/949764318.db2.gz WGPUQXFQHSXLSM-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001574137648 949764340 /nfs/dbraw/zinc/76/43/40/949764340.db2.gz WGPUQXFQHSXLSM-GLQYFDAESA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574964054 949765331 /nfs/dbraw/zinc/76/53/31/949765331.db2.gz PBCDLDAJRJELTQ-BXKDBHETSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574964054 949765340 /nfs/dbraw/zinc/76/53/40/949765340.db2.gz PBCDLDAJRJELTQ-BXKDBHETSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](NC(=O)CCc1cncnc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575278199 949765585 /nfs/dbraw/zinc/76/55/85/949765585.db2.gz UHYNVIWQKTUROE-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1cncnc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575278199 949765598 /nfs/dbraw/zinc/76/55/98/949765598.db2.gz UHYNVIWQKTUROE-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@@H]3C2)CCOC1 ZINC001575559881 949767591 /nfs/dbraw/zinc/76/75/91/949767591.db2.gz YRVSHXSNLCBZDR-JCGVRSQUSA-N -1 3 385.428 0.152 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@@H]3C2)CCOC1 ZINC001575559881 949767614 /nfs/dbraw/zinc/76/76/14/949767614.db2.gz YRVSHXSNLCBZDR-JCGVRSQUSA-N -1 3 385.428 0.152 20 0 GCADHM C[C@@H](NC(=O)CCc1nccs1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575278812 949769234 /nfs/dbraw/zinc/76/92/34/949769234.db2.gz VSWHHPWRWLHFCJ-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](NC(=O)CCc1nccs1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575278812 949769254 /nfs/dbraw/zinc/76/92/54/949769254.db2.gz VSWHHPWRWLHFCJ-ZJUUUORDSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@H](NC(=O)CCc1ccon1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575278418 949771284 /nfs/dbraw/zinc/77/12/84/949771284.db2.gz VHTPGNONIMNIOH-JTQLQIEISA-N -1 3 384.400 0.392 20 0 GCADHM C[C@H](NC(=O)CCc1ccon1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575278418 949771306 /nfs/dbraw/zinc/77/13/06/949771306.db2.gz VHTPGNONIMNIOH-JTQLQIEISA-N -1 3 384.400 0.392 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575279184 949772361 /nfs/dbraw/zinc/77/23/61/949772361.db2.gz WRMLWRPUXJAHEF-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1ccncn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575279184 949772379 /nfs/dbraw/zinc/77/23/79/949772379.db2.gz WRMLWRPUXJAHEF-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575560046 949774941 /nfs/dbraw/zinc/77/49/41/949774941.db2.gz JDTWXPMADMSFEH-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575560046 949774958 /nfs/dbraw/zinc/77/49/58/949774958.db2.gz JDTWXPMADMSFEH-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575560099 949775381 /nfs/dbraw/zinc/77/53/81/949775381.db2.gz KQXAHRIAYZZUNY-LPSAFJIBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575560099 949775396 /nfs/dbraw/zinc/77/53/96/949775396.db2.gz KQXAHRIAYZZUNY-LPSAFJIBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](NC(=O)CCc1ccncn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575279185 949775786 /nfs/dbraw/zinc/77/57/86/949775786.db2.gz WRMLWRPUXJAHEF-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](NC(=O)CCc1ccncn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575279185 949775797 /nfs/dbraw/zinc/77/57/97/949775797.db2.gz WRMLWRPUXJAHEF-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573821458 949775998 /nfs/dbraw/zinc/77/59/98/949775998.db2.gz CKEIYHUMGOKIHV-OLZOCXBDSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001573821458 949776011 /nfs/dbraw/zinc/77/60/11/949776011.db2.gz CKEIYHUMGOKIHV-OLZOCXBDSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CC1(O)CCC1 ZINC001575882542 949780796 /nfs/dbraw/zinc/78/07/96/949780796.db2.gz MOPNSBAALSLXLR-WCQYABFASA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CC1(O)CCC1 ZINC001575882542 949780812 /nfs/dbraw/zinc/78/08/12/949780812.db2.gz MOPNSBAALSLXLR-WCQYABFASA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CC1(O)CCC1 ZINC001575882540 949780982 /nfs/dbraw/zinc/78/09/82/949780982.db2.gz MOPNSBAALSLXLR-AAEUAGOBSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CC1(O)CCC1 ZINC001575882540 949781001 /nfs/dbraw/zinc/78/10/01/949781001.db2.gz MOPNSBAALSLXLR-AAEUAGOBSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575560273 949785023 /nfs/dbraw/zinc/78/50/23/949785023.db2.gz NIQXFYUCHAVSBF-NBZRYXJFSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575560273 949785040 /nfs/dbraw/zinc/78/50/40/949785040.db2.gz NIQXFYUCHAVSBF-NBZRYXJFSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574964847 949785982 /nfs/dbraw/zinc/78/59/82/949785982.db2.gz ASSBKDMBAUQUJM-FVMDXXJSSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574964847 949785996 /nfs/dbraw/zinc/78/59/96/949785996.db2.gz ASSBKDMBAUQUJM-FVMDXXJSSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576172017 949787806 /nfs/dbraw/zinc/78/78/06/949787806.db2.gz UHQUFJIZPJRONU-DGCLKSJQSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576172017 949787822 /nfs/dbraw/zinc/78/78/22/949787822.db2.gz UHQUFJIZPJRONU-DGCLKSJQSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575882760 949788094 /nfs/dbraw/zinc/78/80/94/949788094.db2.gz ACFVDLYTSQLPJP-JQWIXIFHSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575882760 949788105 /nfs/dbraw/zinc/78/81/05/949788105.db2.gz ACFVDLYTSQLPJP-JQWIXIFHSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575560373 949788467 /nfs/dbraw/zinc/78/84/67/949788467.db2.gz PBTUSLSVTPXEIX-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575560373 949788479 /nfs/dbraw/zinc/78/84/79/949788479.db2.gz PBTUSLSVTPXEIX-LPSAFJIBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882841 949791475 /nfs/dbraw/zinc/79/14/75/949791475.db2.gz OKYJXAMHMZHJHX-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882841 949791487 /nfs/dbraw/zinc/79/14/87/949791487.db2.gz OKYJXAMHMZHJHX-MFKMUULPSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](NC(=O)COc1ccsc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575280848 949791736 /nfs/dbraw/zinc/79/17/36/949791736.db2.gz AKRHFJCHSPKWPA-ZJUUUORDSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@@H](NC(=O)COc1ccsc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575280848 949791752 /nfs/dbraw/zinc/79/17/52/949791752.db2.gz AKRHFJCHSPKWPA-ZJUUUORDSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576172055 949792355 /nfs/dbraw/zinc/79/23/55/949792355.db2.gz UMEIHXYYJDKQLU-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576172055 949792378 /nfs/dbraw/zinc/79/23/78/949792378.db2.gz UMEIHXYYJDKQLU-FZMZJTMJSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574481687 949792415 /nfs/dbraw/zinc/79/24/15/949792415.db2.gz TZPGGMJVPRLHET-NSHDSACASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574481687 949792454 /nfs/dbraw/zinc/79/24/54/949792454.db2.gz TZPGGMJVPRLHET-NSHDSACASA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882839 949794101 /nfs/dbraw/zinc/79/41/01/949794101.db2.gz OKYJXAMHMZHJHX-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882839 949794104 /nfs/dbraw/zinc/79/41/04/949794104.db2.gz OKYJXAMHMZHJHX-GXFFZTMASA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481675 949795547 /nfs/dbraw/zinc/79/55/47/949795547.db2.gz TWSVCHCOBQQAQZ-WDEREUQCSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481675 949795561 /nfs/dbraw/zinc/79/55/61/949795561.db2.gz TWSVCHCOBQQAQZ-WDEREUQCSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575281047 949797979 /nfs/dbraw/zinc/79/79/79/949797979.db2.gz BZETYRJEMQMXDA-QWRGUYRKSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575281047 949798002 /nfs/dbraw/zinc/79/80/02/949798002.db2.gz BZETYRJEMQMXDA-QWRGUYRKSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574720613 949798855 /nfs/dbraw/zinc/79/88/55/949798855.db2.gz DUWTYKARJRMPKJ-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccnn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574720613 949798868 /nfs/dbraw/zinc/79/88/68/949798868.db2.gz DUWTYKARJRMPKJ-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)C1CCOCC1 ZINC001575883092 949801706 /nfs/dbraw/zinc/80/17/06/949801706.db2.gz CLFROTSFFFFIFQ-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)C1CCOCC1 ZINC001575883092 949801726 /nfs/dbraw/zinc/80/17/26/949801726.db2.gz CLFROTSFFFFIFQ-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573822756 949802560 /nfs/dbraw/zinc/80/25/60/949802560.db2.gz MDKRAOZKXXSTDH-WCQYABFASA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573822756 949802590 /nfs/dbraw/zinc/80/25/90/949802590.db2.gz MDKRAOZKXXSTDH-WCQYABFASA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H](CC(=O)N1CCC(Nc2cccc(F)c2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574481792 949803465 /nfs/dbraw/zinc/80/34/65/949803465.db2.gz VLIZOAGMFAWVBA-JTQLQIEISA-N -1 3 390.423 0.856 20 0 GCADHM C[C@@H](CC(=O)N1CCC(Nc2cccc(F)c2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574481792 949803483 /nfs/dbraw/zinc/80/34/83/949803483.db2.gz VLIZOAGMFAWVBA-JTQLQIEISA-N -1 3 390.423 0.856 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573822632 949803679 /nfs/dbraw/zinc/80/36/79/949803679.db2.gz LEBOWEXQILGORD-QWRGUYRKSA-N -1 3 391.411 0.025 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573822632 949803700 /nfs/dbraw/zinc/80/37/00/949803700.db2.gz LEBOWEXQILGORD-QWRGUYRKSA-N -1 3 391.411 0.025 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccncn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574720852 949804414 /nfs/dbraw/zinc/80/44/14/949804414.db2.gz IJFLOKGRSOVALS-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccncn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574720852 949804435 /nfs/dbraw/zinc/80/44/35/949804435.db2.gz IJFLOKGRSOVALS-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574139008 949805102 /nfs/dbraw/zinc/80/51/02/949805102.db2.gz HDYNYCVSUQWWRJ-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574139008 949805127 /nfs/dbraw/zinc/80/51/27/949805127.db2.gz HDYNYCVSUQWWRJ-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574139037 949805934 /nfs/dbraw/zinc/80/59/34/949805934.db2.gz HWMLBFJXHDEBBI-AAEUAGOBSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574139037 949805961 /nfs/dbraw/zinc/80/59/61/949805961.db2.gz HWMLBFJXHDEBBI-AAEUAGOBSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1COCCO1 ZINC001573822813 949807710 /nfs/dbraw/zinc/80/77/10/949807710.db2.gz NNRKHSMGJDGBEF-CHWSQXEVSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1COCCO1 ZINC001573822813 949807732 /nfs/dbraw/zinc/80/77/32/949807732.db2.gz NNRKHSMGJDGBEF-CHWSQXEVSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574481905 949807975 /nfs/dbraw/zinc/80/79/75/949807975.db2.gz XHYFESAZCNLGHF-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574481905 949807999 /nfs/dbraw/zinc/80/79/99/949807999.db2.gz XHYFESAZCNLGHF-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575281428 949808412 /nfs/dbraw/zinc/80/84/12/949808412.db2.gz GBWRCYFAMFRAOW-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575281428 949808428 /nfs/dbraw/zinc/80/84/28/949808428.db2.gz GBWRCYFAMFRAOW-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574481891 949811093 /nfs/dbraw/zinc/81/10/93/949811093.db2.gz XDJHPXLVBFYFGE-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574481891 949811109 /nfs/dbraw/zinc/81/11/09/949811109.db2.gz XDJHPXLVBFYFGE-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575281671 949813377 /nfs/dbraw/zinc/81/33/77/949813377.db2.gz ACIJIXDRDNLIBG-SWHYSGLUSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575281671 949813401 /nfs/dbraw/zinc/81/34/01/949813401.db2.gz ACIJIXDRDNLIBG-SWHYSGLUSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574965795 949815177 /nfs/dbraw/zinc/81/51/77/949815177.db2.gz LYJBGYNCKOQDKP-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574965795 949815196 /nfs/dbraw/zinc/81/51/96/949815196.db2.gz LYJBGYNCKOQDKP-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575562251 949820789 /nfs/dbraw/zinc/82/07/89/949820789.db2.gz FGPISUZMFQTPBB-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575562251 949820815 /nfs/dbraw/zinc/82/08/15/949820815.db2.gz FGPISUZMFQTPBB-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574965919 949821836 /nfs/dbraw/zinc/82/18/36/949821836.db2.gz OTONOCQIIGSUFD-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574965919 949821862 /nfs/dbraw/zinc/82/18/62/949821862.db2.gz OTONOCQIIGSUFD-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576172871 949823359 /nfs/dbraw/zinc/82/33/59/949823359.db2.gz YWFAARRVXRRYPX-TZMCWYRMSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576172871 949823381 /nfs/dbraw/zinc/82/33/81/949823381.db2.gz YWFAARRVXRRYPX-TZMCWYRMSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576172870 949823721 /nfs/dbraw/zinc/82/37/21/949823721.db2.gz YWFAARRVXRRYPX-OCCSQVGLSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCN(C(=O)CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576172870 949823741 /nfs/dbraw/zinc/82/37/41/949823741.db2.gz YWFAARRVXRRYPX-OCCSQVGLSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574483553 949824236 /nfs/dbraw/zinc/82/42/36/949824236.db2.gz CRPPIKGAEUBYOM-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574483553 949824262 /nfs/dbraw/zinc/82/42/62/949824262.db2.gz CRPPIKGAEUBYOM-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1COC(=O)N1 ZINC001573823341 949825485 /nfs/dbraw/zinc/82/54/85/949825485.db2.gz VDJBHKIJBNUDID-GHMZBOCLSA-N -1 3 392.395 0.452 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1COC(=O)N1 ZINC001573823341 949825504 /nfs/dbraw/zinc/82/55/04/949825504.db2.gz VDJBHKIJBNUDID-GHMZBOCLSA-N -1 3 392.395 0.452 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574139923 949825879 /nfs/dbraw/zinc/82/58/79/949825879.db2.gz LLDKXWKZWUKXGU-YPMHNXCESA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574139923 949825909 /nfs/dbraw/zinc/82/59/09/949825909.db2.gz LLDKXWKZWUKXGU-YPMHNXCESA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2c[nH]cn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575883696 949826078 /nfs/dbraw/zinc/82/60/78/949826078.db2.gz SLMJUOMVACIANI-YGRLFVJLSA-N -1 3 385.407 0.840 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575281973 949826979 /nfs/dbraw/zinc/82/69/79/949826979.db2.gz IRBFRGZEMKUPKZ-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575281973 949826994 /nfs/dbraw/zinc/82/69/94/949826994.db2.gz IRBFRGZEMKUPKZ-NSHDSACASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575883700 949827278 /nfs/dbraw/zinc/82/72/78/949827278.db2.gz SNBVLPYPVQMMQV-JOYOIKCWSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575883700 949827298 /nfs/dbraw/zinc/82/72/98/949827298.db2.gz SNBVLPYPVQMMQV-JOYOIKCWSA-N -1 3 386.441 0.613 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)c1nccnc1N ZINC001573823345 949827493 /nfs/dbraw/zinc/82/74/93/949827493.db2.gz VFSKRVYGEPRQAW-LLVKDONJSA-N -1 3 382.432 0.891 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)c1nccnc1N ZINC001573823345 949827509 /nfs/dbraw/zinc/82/75/09/949827509.db2.gz VFSKRVYGEPRQAW-LLVKDONJSA-N -1 3 382.432 0.891 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575883775 949828146 /nfs/dbraw/zinc/82/81/46/949828146.db2.gz GXHPVJUXQNFFAI-YPMHNXCESA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575883775 949828163 /nfs/dbraw/zinc/82/81/63/949828163.db2.gz GXHPVJUXQNFFAI-YPMHNXCESA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574965996 949829150 /nfs/dbraw/zinc/82/91/50/949829150.db2.gz RFQPFEWOBBGPSU-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574965996 949829181 /nfs/dbraw/zinc/82/91/81/949829181.db2.gz RFQPFEWOBBGPSU-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cccnc1 ZINC001575883811 949830938 /nfs/dbraw/zinc/83/09/38/949830938.db2.gz HGHJABGROYESLP-FZMZJTMJSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cccnc1 ZINC001575883811 949830960 /nfs/dbraw/zinc/83/09/60/949830960.db2.gz HGHJABGROYESLP-FZMZJTMJSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574483617 949831757 /nfs/dbraw/zinc/83/17/57/949831757.db2.gz FVQVXYUTYMTSHA-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575562652 949831521 /nfs/dbraw/zinc/83/15/21/949831521.db2.gz HYVXASBDJUEVIE-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575562652 949831537 /nfs/dbraw/zinc/83/15/37/949831537.db2.gz HYVXASBDJUEVIE-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574483617 949831785 /nfs/dbraw/zinc/83/17/85/949831785.db2.gz FVQVXYUTYMTSHA-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575883772 949832570 /nfs/dbraw/zinc/83/25/70/949832570.db2.gz GXHPVJUXQNFFAI-AAEUAGOBSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575883772 949832587 /nfs/dbraw/zinc/83/25/87/949832587.db2.gz GXHPVJUXQNFFAI-AAEUAGOBSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575282413 949833304 /nfs/dbraw/zinc/83/33/04/949833304.db2.gz BKFPWUYRQNSHPG-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575282413 949833330 /nfs/dbraw/zinc/83/33/30/949833330.db2.gz BKFPWUYRQNSHPG-BXUZGUMPSA-N -1 3 386.460 0.304 20 0 GCADHM CC1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575562648 949833636 /nfs/dbraw/zinc/83/36/36/949833636.db2.gz HYVXASBDJUEVIE-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575562648 949833652 /nfs/dbraw/zinc/83/36/52/949833652.db2.gz HYVXASBDJUEVIE-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574483687 949836014 /nfs/dbraw/zinc/83/60/14/949836014.db2.gz IONWTIPYEXGCOC-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574483687 949836037 /nfs/dbraw/zinc/83/60/37/949836037.db2.gz IONWTIPYEXGCOC-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CN1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001575282499 949837368 /nfs/dbraw/zinc/83/73/68/949837368.db2.gz CKIJVTRHRQFZLX-GFCCVEGCSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H](NC(=O)CN1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001575282499 949837390 /nfs/dbraw/zinc/83/73/90/949837390.db2.gz CKIJVTRHRQFZLX-GFCCVEGCSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574483712 949838853 /nfs/dbraw/zinc/83/88/53/949838853.db2.gz JGRNIKTZSWGMHB-SNVBAGLBSA-N -1 3 376.396 0.101 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574483712 949838873 /nfs/dbraw/zinc/83/88/73/949838873.db2.gz JGRNIKTZSWGMHB-SNVBAGLBSA-N -1 3 376.396 0.101 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1csnn1 ZINC001575884259 949839897 /nfs/dbraw/zinc/83/98/97/949839897.db2.gz IAFKVOLNRLFJGO-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1csnn1 ZINC001575884259 949839920 /nfs/dbraw/zinc/83/99/20/949839920.db2.gz IAFKVOLNRLFJGO-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574966233 949840586 /nfs/dbraw/zinc/84/05/86/949840586.db2.gz VGTNOTYJILTHML-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574966233 949840601 /nfs/dbraw/zinc/84/06/01/949840601.db2.gz VGTNOTYJILTHML-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1cnnn1 ZINC001573823865 949841083 /nfs/dbraw/zinc/84/10/83/949841083.db2.gz ZVSDJJUPVYONMG-LLVKDONJSA-N -1 3 389.399 0.030 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1cnnn1 ZINC001573823865 949841104 /nfs/dbraw/zinc/84/11/04/949841104.db2.gz ZVSDJJUPVYONMG-LLVKDONJSA-N -1 3 389.399 0.030 20 0 GCADHM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575282610 949841899 /nfs/dbraw/zinc/84/18/99/949841899.db2.gz LIUSGMGRONFZNH-RYUDHWBXSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H](NC(=O)COCc1nccn1C)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575282610 949841918 /nfs/dbraw/zinc/84/19/18/949841918.db2.gz LIUSGMGRONFZNH-RYUDHWBXSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574722672 949841866 /nfs/dbraw/zinc/84/18/66/949841866.db2.gz VHMNNQTXWQCULZ-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574722672 949841883 /nfs/dbraw/zinc/84/18/83/949841883.db2.gz VHMNNQTXWQCULZ-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574483866 949843512 /nfs/dbraw/zinc/84/35/12/949843512.db2.gz NWXJGMNUZUXLNM-WFASDCNBSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574483866 949843534 /nfs/dbraw/zinc/84/35/34/949843534.db2.gz NWXJGMNUZUXLNM-WFASDCNBSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575282609 949845618 /nfs/dbraw/zinc/84/56/18/949845618.db2.gz LIUSGMGRONFZNH-NWDGAFQWSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575282609 949845637 /nfs/dbraw/zinc/84/56/37/949845637.db2.gz LIUSGMGRONFZNH-NWDGAFQWSA-N -1 3 385.432 0.517 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)CCCC1 ZINC001575563834 949846439 /nfs/dbraw/zinc/84/64/39/949846439.db2.gz MOFHUCJHODJAGP-TZMCWYRMSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)CCCC1 ZINC001575563834 949846454 /nfs/dbraw/zinc/84/64/54/949846454.db2.gz MOFHUCJHODJAGP-TZMCWYRMSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)CCCC1 ZINC001575563828 949847437 /nfs/dbraw/zinc/84/74/37/949847437.db2.gz MOFHUCJHODJAGP-JSGCOSHPSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)CCCC1 ZINC001575563828 949847459 /nfs/dbraw/zinc/84/74/59/949847459.db2.gz MOFHUCJHODJAGP-JSGCOSHPSA-N -1 3 387.444 0.467 20 0 GCADHM C[C@@]1(C(=O)NC2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575563927 949849760 /nfs/dbraw/zinc/84/97/60/949849760.db2.gz NDAXVZYRCJIZBK-PWGQDJSOSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@]1(C(=O)NC2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575563927 949849782 /nfs/dbraw/zinc/84/97/82/949849782.db2.gz NDAXVZYRCJIZBK-PWGQDJSOSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575282946 949850709 /nfs/dbraw/zinc/85/07/09/949850709.db2.gz CTUTVWFCHHPVTK-LBPRGKRZSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@H](NC(=O)CCn1cccc1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575282946 949850734 /nfs/dbraw/zinc/85/07/34/949850734.db2.gz CTUTVWFCHHPVTK-LBPRGKRZSA-N -1 3 382.428 0.663 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1nccs1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574723647 949853229 /nfs/dbraw/zinc/85/32/29/949853229.db2.gz ALDBOVRPKSUUTN-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1nccs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574723647 949853249 /nfs/dbraw/zinc/85/32/49/949853249.db2.gz ALDBOVRPKSUUTN-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575884748 949853881 /nfs/dbraw/zinc/85/38/81/949853881.db2.gz VVASWEINPZERRF-CMPLNLGQSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575884748 949853904 /nfs/dbraw/zinc/85/39/04/949853904.db2.gz VVASWEINPZERRF-CMPLNLGQSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncc[nH]2)[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576177669 949854850 /nfs/dbraw/zinc/85/48/50/949854850.db2.gz ACYQXUWPCCGJLB-GWCFXTLKSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncc[nH]2)[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576177669 949854872 /nfs/dbraw/zinc/85/48/72/949854872.db2.gz ACYQXUWPCCGJLB-GWCFXTLKSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574484042 949855830 /nfs/dbraw/zinc/85/58/30/949855830.db2.gz CVALCTPSSIINPS-NWDGAFQWSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574484042 949855855 /nfs/dbraw/zinc/85/58/55/949855855.db2.gz CVALCTPSSIINPS-NWDGAFQWSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574723666 949858490 /nfs/dbraw/zinc/85/84/90/949858490.db2.gz AYWIIPHHVZVTEV-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574723666 949858516 /nfs/dbraw/zinc/85/85/16/949858516.db2.gz AYWIIPHHVZVTEV-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C1=COCCC1)C1CC1 ZINC001574967009 949859778 /nfs/dbraw/zinc/85/97/78/949859778.db2.gz DKTPSJLBFJYXJF-SFHVURJKSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C1=COCCC1)C1CC1 ZINC001574967009 949859789 /nfs/dbraw/zinc/85/97/89/949859789.db2.gz DKTPSJLBFJYXJF-SFHVURJKSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574723985 949860070 /nfs/dbraw/zinc/86/00/70/949860070.db2.gz DLEPGGHQWABZRN-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574723985 949860092 /nfs/dbraw/zinc/86/00/92/949860092.db2.gz DLEPGGHQWABZRN-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575283157 949860718 /nfs/dbraw/zinc/86/07/18/949860718.db2.gz NZEAPFPLTABAHJ-MNOVXSKESA-N -1 3 381.462 0.390 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575283157 949860734 /nfs/dbraw/zinc/86/07/34/949860734.db2.gz NZEAPFPLTABAHJ-MNOVXSKESA-N -1 3 381.462 0.390 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001574142168 949862181 /nfs/dbraw/zinc/86/21/81/949862181.db2.gz WTWRBCKBUZKHGX-DFBGVHRSSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001574142168 949862219 /nfs/dbraw/zinc/86/22/19/949862219.db2.gz WTWRBCKBUZKHGX-DFBGVHRSSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575885352 949864056 /nfs/dbraw/zinc/86/40/56/949864056.db2.gz WLINUXSPBBRDCL-OVKLUEDNSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575885352 949864069 /nfs/dbraw/zinc/86/40/69/949864069.db2.gz WLINUXSPBBRDCL-OVKLUEDNSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574484164 949864219 /nfs/dbraw/zinc/86/42/19/949864219.db2.gz DHBDPXCUOVAKRF-STQMWFEESA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574484164 949864239 /nfs/dbraw/zinc/86/42/39/949864239.db2.gz DHBDPXCUOVAKRF-STQMWFEESA-N -1 3 382.432 0.907 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575564588 949867056 /nfs/dbraw/zinc/86/70/56/949867056.db2.gz QNKAXHKXGJRLLQ-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575564588 949867083 /nfs/dbraw/zinc/86/70/83/949867083.db2.gz QNKAXHKXGJRLLQ-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573825239 949868336 /nfs/dbraw/zinc/86/83/36/949868336.db2.gz ODBQNVCSTTUZHQ-CMPLNLGQSA-N -1 3 387.448 0.040 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573825239 949868358 /nfs/dbraw/zinc/86/83/58/949868358.db2.gz ODBQNVCSTTUZHQ-CMPLNLGQSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575885852 949874202 /nfs/dbraw/zinc/87/42/02/949874202.db2.gz LTEOSACSMXUBCI-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)Cc1ccon1 ZINC001575885852 949874224 /nfs/dbraw/zinc/87/42/24/949874224.db2.gz LTEOSACSMXUBCI-GWCFXTLKSA-N -1 3 384.400 0.535 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573825324 949874702 /nfs/dbraw/zinc/87/47/02/949874702.db2.gz RUGPQHCPLDSANW-LBPRGKRZSA-N -1 3 387.448 0.405 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573825324 949874718 /nfs/dbraw/zinc/87/47/18/949874718.db2.gz RUGPQHCPLDSANW-LBPRGKRZSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576178055 949877591 /nfs/dbraw/zinc/87/75/91/949877591.db2.gz APBMWOHJCMRYMZ-XHDPSFHLSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576178055 949877619 /nfs/dbraw/zinc/87/76/19/949877619.db2.gz APBMWOHJCMRYMZ-XHDPSFHLSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccn(C)n1 ZINC001575885862 949878320 /nfs/dbraw/zinc/87/83/20/949878320.db2.gz LTGMUSGTYFLCQH-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccn(C)n1 ZINC001575885862 949878341 /nfs/dbraw/zinc/87/83/41/949878341.db2.gz LTGMUSGTYFLCQH-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576178051 949878610 /nfs/dbraw/zinc/87/86/10/949878610.db2.gz APBMWOHJCMRYMZ-NHYWBVRUSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576178051 949878634 /nfs/dbraw/zinc/87/86/34/949878634.db2.gz APBMWOHJCMRYMZ-NHYWBVRUSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cncs1)C1CC1 ZINC001574967648 949878390 /nfs/dbraw/zinc/87/83/90/949878390.db2.gz IZXGJFKVJDKAOO-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cncs1)C1CC1 ZINC001574967648 949878412 /nfs/dbraw/zinc/87/84/12/949878412.db2.gz IZXGJFKVJDKAOO-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575886143 949878851 /nfs/dbraw/zinc/87/88/51/949878851.db2.gz XGCAYTRZPLZBIE-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575886143 949878873 /nfs/dbraw/zinc/87/88/73/949878873.db2.gz XGCAYTRZPLZBIE-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574724731 949879160 /nfs/dbraw/zinc/87/91/60/949879160.db2.gz KIOIETMJRAYKEE-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574724731 949879184 /nfs/dbraw/zinc/87/91/84/949879184.db2.gz KIOIETMJRAYKEE-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM CC1CCN(C(=O)C(=O)NCCNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001576178216 949880496 /nfs/dbraw/zinc/88/04/96/949880496.db2.gz GMGGCWKOLXMAPR-UHFFFAOYSA-N -1 3 376.396 0.187 20 0 GCADHM CC1CCN(C(=O)C(=O)NCCNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001576178216 949880520 /nfs/dbraw/zinc/88/05/20/949880520.db2.gz GMGGCWKOLXMAPR-UHFFFAOYSA-N -1 3 376.396 0.187 20 0 GCADHM C[C@H](NC(=O)CN1CCCC1)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575283652 949880448 /nfs/dbraw/zinc/88/04/48/949880448.db2.gz GPQYYSHYOARBRZ-KBPBESRZSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574967964 949880980 /nfs/dbraw/zinc/88/09/80/949880980.db2.gz KPYPFHYALVFKSB-LLVKDONJSA-N -1 3 381.444 0.962 20 0 GCADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574967964 949880991 /nfs/dbraw/zinc/88/09/91/949880991.db2.gz KPYPFHYALVFKSB-LLVKDONJSA-N -1 3 381.444 0.962 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573825394 949880918 /nfs/dbraw/zinc/88/09/18/949880918.db2.gz ULVTWPIWJZPGET-JTQLQIEISA-N -1 3 378.462 0.478 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573825394 949880939 /nfs/dbraw/zinc/88/09/39/949880939.db2.gz ULVTWPIWJZPGET-JTQLQIEISA-N -1 3 378.462 0.478 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc2n(n1)CCC2 ZINC001574968008 949883198 /nfs/dbraw/zinc/88/31/98/949883198.db2.gz KZKVQBVNVWNJGU-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc2n(n1)CCC2 ZINC001574968008 949883223 /nfs/dbraw/zinc/88/32/23/949883223.db2.gz KZKVQBVNVWNJGU-SNVBAGLBSA-N -1 3 383.416 0.133 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC(F)(F)C1 ZINC001575565654 949884612 /nfs/dbraw/zinc/88/46/12/949884612.db2.gz XAYCRVGMMWGCJG-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC(F)(F)C1 ZINC001575565654 949884635 /nfs/dbraw/zinc/88/46/35/949884635.db2.gz XAYCRVGMMWGCJG-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573825537 949885847 /nfs/dbraw/zinc/88/58/47/949885847.db2.gz ZTTNGXXJKOVFIX-KGLIPLIRSA-N -1 3 387.444 0.850 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573825537 949885874 /nfs/dbraw/zinc/88/58/74/949885874.db2.gz ZTTNGXXJKOVFIX-KGLIPLIRSA-N -1 3 387.444 0.850 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574484550 949886670 /nfs/dbraw/zinc/88/66/70/949886670.db2.gz JUWVIPZHAVXBJV-YPMHNXCESA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574484550 949886687 /nfs/dbraw/zinc/88/66/87/949886687.db2.gz JUWVIPZHAVXBJV-YPMHNXCESA-N -1 3 387.448 0.502 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC/C=C/CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573825499 949887062 /nfs/dbraw/zinc/88/70/62/949887062.db2.gz XYXIHGMIAOXTPF-IHVVCDCBSA-N -1 3 387.448 0.429 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC/C=C/CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573825499 949887082 /nfs/dbraw/zinc/88/70/82/949887082.db2.gz XYXIHGMIAOXTPF-IHVVCDCBSA-N -1 3 387.448 0.429 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574143343 949887841 /nfs/dbraw/zinc/88/78/41/949887841.db2.gz GRGUKMHLVNAWCK-KPZWWZAWSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@]1(C)CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574143343 949887860 /nfs/dbraw/zinc/88/78/60/949887860.db2.gz GRGUKMHLVNAWCK-KPZWWZAWSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484609 949888493 /nfs/dbraw/zinc/88/84/93/949888493.db2.gz KVFYDDRQVOKKOX-AAEUAGOBSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484609 949888510 /nfs/dbraw/zinc/88/85/10/949888510.db2.gz KVFYDDRQVOKKOX-AAEUAGOBSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1ccns1)C1CC1 ZINC001574968192 949891640 /nfs/dbraw/zinc/89/16/40/949891640.db2.gz MYKLAIMXDPVFPV-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1ccns1)C1CC1 ZINC001574968192 949891659 /nfs/dbraw/zinc/89/16/59/949891659.db2.gz MYKLAIMXDPVFPV-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1c[nH]cn1)C1CC1 ZINC001574968359 949893312 /nfs/dbraw/zinc/89/33/12/949893312.db2.gz OGDIGPXGWDLNSW-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575886991 949893445 /nfs/dbraw/zinc/89/34/45/949893445.db2.gz YFJMMRHPEJKDDE-RISCZKNCSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575886991 949893467 /nfs/dbraw/zinc/89/34/67/949893467.db2.gz YFJMMRHPEJKDDE-RISCZKNCSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575887230 949896976 /nfs/dbraw/zinc/89/69/76/949896976.db2.gz OAYPDBILJAATSM-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575887230 949896995 /nfs/dbraw/zinc/89/69/95/949896995.db2.gz OAYPDBILJAATSM-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccn(C)n1 ZINC001575887253 949899065 /nfs/dbraw/zinc/89/90/65/949899065.db2.gz YOKJBERMQAGKDC-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccn(C)n1 ZINC001575887253 949899083 /nfs/dbraw/zinc/89/90/83/949899083.db2.gz YOKJBERMQAGKDC-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001574968406 949900513 /nfs/dbraw/zinc/90/05/13/949900513.db2.gz PAHOZYVSFNLRIB-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001574968406 949900522 /nfs/dbraw/zinc/90/05/22/949900522.db2.gz PAHOZYVSFNLRIB-KRWDZBQOSA-N -1 3 386.391 0.991 20 0 GCADHM CC(C)C[C@@H](C)N(C)C(=O)CN(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574144004 949903018 /nfs/dbraw/zinc/90/30/18/949903018.db2.gz KBWJAQZNRJBCIP-CYBMUJFWSA-N -1 3 390.492 0.749 20 0 GCADHM CC(C)C[C@@H](C)N(C)C(=O)CN(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574144004 949903035 /nfs/dbraw/zinc/90/30/35/949903035.db2.gz KBWJAQZNRJBCIP-CYBMUJFWSA-N -1 3 390.492 0.749 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1CC(=O)N(C)C1CC1 ZINC001575887756 949907697 /nfs/dbraw/zinc/90/76/97/949907697.db2.gz OTAKBOZHNVKSBS-FZMZJTMJSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1CC(=O)N(C)C1CC1 ZINC001575887756 949907714 /nfs/dbraw/zinc/90/77/14/949907714.db2.gz OTAKBOZHNVKSBS-FZMZJTMJSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574484880 949907911 /nfs/dbraw/zinc/90/79/11/949907911.db2.gz QNERKLVMBFNCFK-YPMHNXCESA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574484880 949907932 /nfs/dbraw/zinc/90/79/32/949907932.db2.gz QNERKLVMBFNCFK-YPMHNXCESA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574725684 949909193 /nfs/dbraw/zinc/90/91/93/949909193.db2.gz ANGHUXPQAKKFBZ-SECBINFHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574725684 949909202 /nfs/dbraw/zinc/90/92/02/949909202.db2.gz ANGHUXPQAKKFBZ-SECBINFHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575284609 949912818 /nfs/dbraw/zinc/91/28/18/949912818.db2.gz KAVHHTVYRBZBMG-AAEUAGOBSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484981 949914565 /nfs/dbraw/zinc/91/45/65/949914565.db2.gz TYLQGPJVMIXDSW-RYUDHWBXSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](N(C)c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484981 949914594 /nfs/dbraw/zinc/91/45/94/949914594.db2.gz TYLQGPJVMIXDSW-RYUDHWBXSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575887932 949915095 /nfs/dbraw/zinc/91/50/95/949915095.db2.gz PFGFBXWDTYIQMS-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575887932 949915110 /nfs/dbraw/zinc/91/51/10/949915110.db2.gz PFGFBXWDTYIQMS-ZWNOBZJWSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575887926 949915188 /nfs/dbraw/zinc/91/51/88/949915188.db2.gz PFGFBXWDTYIQMS-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccnnc1 ZINC001575887926 949915204 /nfs/dbraw/zinc/91/52/04/949915204.db2.gz PFGFBXWDTYIQMS-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cnc2n1CCC2 ZINC001574968915 949916791 /nfs/dbraw/zinc/91/67/91/949916791.db2.gz VNXGFYGEOYOBTF-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cnc2n1CCC2 ZINC001574968915 949916799 /nfs/dbraw/zinc/91/67/99/949916799.db2.gz VNXGFYGEOYOBTF-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](N(C)c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484979 949916823 /nfs/dbraw/zinc/91/68/23/949916823.db2.gz TYLQGPJVMIXDSW-NEPJUHHUSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](N(C)c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484979 949916840 /nfs/dbraw/zinc/91/68/40/949916840.db2.gz TYLQGPJVMIXDSW-NEPJUHHUSA-N -1 3 387.448 0.136 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574144606 949918828 /nfs/dbraw/zinc/91/88/28/949918828.db2.gz PZJNYFSXNKECTJ-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574144606 949918844 /nfs/dbraw/zinc/91/88/44/949918844.db2.gz PZJNYFSXNKECTJ-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1noc(C(F)(F)F)n1 ZINC001575284743 949918643 /nfs/dbraw/zinc/91/86/43/949918643.db2.gz WIFNOGOAKCEZKM-ZCFIWIBFSA-N -1 3 383.294 0.953 20 0 GCADHM C[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1noc(C(F)(F)F)n1 ZINC001575284743 949918663 /nfs/dbraw/zinc/91/86/63/949918663.db2.gz WIFNOGOAKCEZKM-ZCFIWIBFSA-N -1 3 383.294 0.953 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001574968953 949920670 /nfs/dbraw/zinc/92/06/70/949920670.db2.gz WPWPRPCZCHUSKC-JTQLQIEISA-N -1 3 385.432 0.378 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3cc(F)ccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575569643 949924425 /nfs/dbraw/zinc/92/44/25/949924425.db2.gz MAVTVWNVJOKXEE-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575569643 949924443 /nfs/dbraw/zinc/92/44/43/949924443.db2.gz MAVTVWNVJOKXEE-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574726153 949924570 /nfs/dbraw/zinc/92/45/70/949924570.db2.gz FXBLKGZGFVMFKC-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574726153 949924587 /nfs/dbraw/zinc/92/45/87/949924587.db2.gz FXBLKGZGFVMFKC-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COC1CCCC1 ZINC001575889025 949926292 /nfs/dbraw/zinc/92/62/92/949926292.db2.gz RCHDZWZWYWDCEK-SMDDNHRTSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COC1CCCC1 ZINC001575889025 949926309 /nfs/dbraw/zinc/92/63/09/949926309.db2.gz RCHDZWZWYWDCEK-SMDDNHRTSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574485688 949926740 /nfs/dbraw/zinc/92/67/40/949926740.db2.gz YUVZKQSZDSYWPS-DGCLKSJQSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574485688 949926754 /nfs/dbraw/zinc/92/67/54/949926754.db2.gz YUVZKQSZDSYWPS-DGCLKSJQSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001574969075 949927814 /nfs/dbraw/zinc/92/78/14/949927814.db2.gz ZDEOTDZLRMSUEU-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001574969075 949927821 /nfs/dbraw/zinc/92/78/21/949927821.db2.gz ZDEOTDZLRMSUEU-GHMZBOCLSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574972098 949930792 /nfs/dbraw/zinc/93/07/92/949930792.db2.gz ACYQNSACTSSVAI-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574972098 949930814 /nfs/dbraw/zinc/93/08/14/949930814.db2.gz ACYQNSACTSSVAI-ZBINZKHDSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575285038 949931605 /nfs/dbraw/zinc/93/16/05/949931605.db2.gz LPNHMWBRTNATFK-RYUDHWBXSA-N -1 3 377.424 0.643 20 0 GCADHM C[C@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575285038 949931633 /nfs/dbraw/zinc/93/16/33/949931633.db2.gz LPNHMWBRTNATFK-RYUDHWBXSA-N -1 3 377.424 0.643 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)CCCS1(=O)=O ZINC001575570218 949932352 /nfs/dbraw/zinc/93/23/52/949932352.db2.gz QMXLAUDUPRDYKI-KRWDZBQOSA-N -1 3 390.469 0.134 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CCCS1(=O)=O ZINC001575570218 949932367 /nfs/dbraw/zinc/93/23/67/949932367.db2.gz QMXLAUDUPRDYKI-KRWDZBQOSA-N -1 3 390.469 0.134 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CCC(=O)NC1 ZINC001575570583 949938069 /nfs/dbraw/zinc/93/80/69/949938069.db2.gz SJWDOAYFOAVHGF-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CCC(=O)NC1 ZINC001575570583 949938078 /nfs/dbraw/zinc/93/80/78/949938078.db2.gz SJWDOAYFOAVHGF-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001574487733 949938317 /nfs/dbraw/zinc/93/83/17/949938317.db2.gz BMIWEJYIOWMHJO-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001574487733 949938334 /nfs/dbraw/zinc/93/83/34/949938334.db2.gz BMIWEJYIOWMHJO-CMPLNLGQSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1nccs1 ZINC001574972207 949940597 /nfs/dbraw/zinc/94/05/97/949940597.db2.gz BVKPSDKBIMGPIO-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1nccs1 ZINC001574972207 949940617 /nfs/dbraw/zinc/94/06/17/949940617.db2.gz BVKPSDKBIMGPIO-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1=O)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285266 949941453 /nfs/dbraw/zinc/94/14/53/949941453.db2.gz MCQGROULFMWNCY-NXEZZACHSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1=O)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285266 949941474 /nfs/dbraw/zinc/94/14/74/949941474.db2.gz MCQGROULFMWNCY-NXEZZACHSA-N -1 3 376.396 0.328 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574146278 949941707 /nfs/dbraw/zinc/94/17/07/949941707.db2.gz XHCCEABYGHUADK-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574146278 949941720 /nfs/dbraw/zinc/94/17/20/949941720.db2.gz XHCCEABYGHUADK-JSGCOSHPSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574488059 949942861 /nfs/dbraw/zinc/94/28/61/949942861.db2.gz CWNSJHXANPJSPO-AAEUAGOBSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574488059 949942881 /nfs/dbraw/zinc/94/28/81/949942881.db2.gz CWNSJHXANPJSPO-AAEUAGOBSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574488060 949943195 /nfs/dbraw/zinc/94/31/95/949943195.db2.gz CWNSJHXANPJSPO-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574488060 949943206 /nfs/dbraw/zinc/94/32/06/949943206.db2.gz CWNSJHXANPJSPO-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)NCc1ccco1 ZINC001574972638 949944089 /nfs/dbraw/zinc/94/40/89/949944089.db2.gz DHDQEXYGHONXIR-LLVKDONJSA-N -1 3 386.416 0.154 20 0 GCADHM C[C@H]1CCCN(C(=O)c2nc[nH]n2)[C@@H]1CCNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180197 949946519 /nfs/dbraw/zinc/94/65/19/949946519.db2.gz NLYADKYROBHTBU-CMPLNLGQSA-N -1 3 383.420 0.518 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575285475 949947123 /nfs/dbraw/zinc/94/71/23/949947123.db2.gz NPULGYZIUPBLEX-GFCCVEGCSA-N -1 3 391.501 0.197 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001574488363 949948533 /nfs/dbraw/zinc/94/85/33/949948533.db2.gz DQMUONZPGFBYKS-GDLCADMTSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C(C)(C)C ZINC001574488363 949948542 /nfs/dbraw/zinc/94/85/42/949948542.db2.gz DQMUONZPGFBYKS-GDLCADMTSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CC1CCOCC1 ZINC001575890168 949949076 /nfs/dbraw/zinc/94/90/76/949949076.db2.gz VUUFZFMTAUVUOP-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CC1CCOCC1 ZINC001575890168 949949098 /nfs/dbraw/zinc/94/90/98/949949098.db2.gz VUUFZFMTAUVUOP-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575570903 949949920 /nfs/dbraw/zinc/94/99/20/949949920.db2.gz WGOMNYJJWXULNA-ZMZPIMSZSA-N -1 3 387.419 0.617 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575570903 949949941 /nfs/dbraw/zinc/94/99/41/949949941.db2.gz WGOMNYJJWXULNA-ZMZPIMSZSA-N -1 3 387.419 0.617 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1=COCCO1 ZINC001574147742 949950160 /nfs/dbraw/zinc/95/01/60/949950160.db2.gz BIMXDTGDZLWISI-LLVKDONJSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1=COCCO1 ZINC001574147742 949950177 /nfs/dbraw/zinc/95/01/77/949950177.db2.gz BIMXDTGDZLWISI-LLVKDONJSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ncc[nH]1 ZINC001574147750 949950252 /nfs/dbraw/zinc/95/02/52/949950252.db2.gz BRQNGXFYVGLTJA-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ncc[nH]1 ZINC001574147750 949950281 /nfs/dbraw/zinc/95/02/81/949950281.db2.gz BRQNGXFYVGLTJA-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285573 949951500 /nfs/dbraw/zinc/95/15/00/949951500.db2.gz OYYGVRIBJUTKIV-CHWSQXEVSA-N -1 3 382.428 0.819 20 0 GCADHM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285573 949951522 /nfs/dbraw/zinc/95/15/22/949951522.db2.gz OYYGVRIBJUTKIV-CHWSQXEVSA-N -1 3 382.428 0.819 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574488883 949952706 /nfs/dbraw/zinc/95/27/06/949952706.db2.gz GZUPBYKSJIPJQX-VWYCJHECSA-N -1 3 390.473 0.160 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574488883 949952730 /nfs/dbraw/zinc/95/27/30/949952730.db2.gz GZUPBYKSJIPJQX-VWYCJHECSA-N -1 3 390.473 0.160 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574147793 949953903 /nfs/dbraw/zinc/95/39/03/949953903.db2.gz CJFMATJIEATBNO-DGCLKSJQSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001574147793 949953922 /nfs/dbraw/zinc/95/39/22/949953922.db2.gz CJFMATJIEATBNO-DGCLKSJQSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1conc1C1CC1 ZINC001574973436 949953813 /nfs/dbraw/zinc/95/38/13/949953813.db2.gz GWEMHEQBLSRORY-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1conc1C1CC1 ZINC001574973436 949953826 /nfs/dbraw/zinc/95/38/26/949953826.db2.gz GWEMHEQBLSRORY-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCOC1 ZINC001574147794 949956087 /nfs/dbraw/zinc/95/60/87/949956087.db2.gz CJFMATJIEATBNO-WCQYABFASA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCOC1 ZINC001574147794 949956104 /nfs/dbraw/zinc/95/61/04/949956104.db2.gz CJFMATJIEATBNO-WCQYABFASA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575890574 949956574 /nfs/dbraw/zinc/95/65/74/949956574.db2.gz YJMKDZIGKJEOIW-CMPLNLGQSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575890574 949956579 /nfs/dbraw/zinc/95/65/79/949956579.db2.gz YJMKDZIGKJEOIW-CMPLNLGQSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)COC1CCCC1 ZINC001575890570 949957698 /nfs/dbraw/zinc/95/76/98/949957698.db2.gz YDJKNUITDKFPFV-BXUZGUMPSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)COC1CCCC1 ZINC001575890570 949957714 /nfs/dbraw/zinc/95/77/14/949957714.db2.gz YDJKNUITDKFPFV-BXUZGUMPSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H](NC(=O)CCn1cccn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575285670 949959038 /nfs/dbraw/zinc/95/90/38/949959038.db2.gz PTAOCFYZMMAAEQ-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM C[C@@H](NC(=O)CCn1cccn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575285670 949959054 /nfs/dbraw/zinc/95/90/54/949959054.db2.gz PTAOCFYZMMAAEQ-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001574973968 949960348 /nfs/dbraw/zinc/96/03/48/949960348.db2.gz JVBPDAGJJZQELJ-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001574973968 949960367 /nfs/dbraw/zinc/96/03/67/949960367.db2.gz JVBPDAGJJZQELJ-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)CC(=O)N1CCC(CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573829695 949960919 /nfs/dbraw/zinc/96/09/19/949960919.db2.gz BSVCQVSWCJVGAL-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N1CCC(CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573829695 949960930 /nfs/dbraw/zinc/96/09/30/949960930.db2.gz BSVCQVSWCJVGAL-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1ncccn1 ZINC001574974126 949966255 /nfs/dbraw/zinc/96/62/55/949966255.db2.gz KWZORBBSRRPXLB-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1ncccn1 ZINC001574974126 949966265 /nfs/dbraw/zinc/96/62/65/949966265.db2.gz KWZORBBSRRPXLB-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575890736 949966048 /nfs/dbraw/zinc/96/60/48/949966048.db2.gz ZANSALYMZSBSMJ-CMPLNLGQSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575890736 949966069 /nfs/dbraw/zinc/96/60/69/949966069.db2.gz ZANSALYMZSBSMJ-CMPLNLGQSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575286037 949967566 /nfs/dbraw/zinc/96/75/66/949967566.db2.gz SKIPBRNEFMHTIZ-CHWSQXEVSA-N -1 3 382.428 0.819 20 0 GCADHM C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575286037 949967585 /nfs/dbraw/zinc/96/75/85/949967585.db2.gz SKIPBRNEFMHTIZ-CHWSQXEVSA-N -1 3 382.428 0.819 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1c[nH]cn1 ZINC001574147945 949967767 /nfs/dbraw/zinc/96/77/67/949967767.db2.gz GXBUTDTZEVRGFO-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)c1cocn1 ZINC001576180827 949970508 /nfs/dbraw/zinc/97/05/08/949970508.db2.gz JKTVVQLIVLHKAI-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)c1cocn1 ZINC001576180827 949970529 /nfs/dbraw/zinc/97/05/29/949970529.db2.gz JKTVVQLIVLHKAI-QMTHXVAHSA-N -1 3 384.400 0.854 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574148053 949971199 /nfs/dbraw/zinc/97/11/99/949971199.db2.gz JPSLGYVLFLHDHD-UUIJZJDISA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001574148053 949971216 /nfs/dbraw/zinc/97/12/16/949971216.db2.gz JPSLGYVLFLHDHD-UUIJZJDISA-N -1 3 387.444 0.348 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574489655 949971266 /nfs/dbraw/zinc/97/12/66/949971266.db2.gz KFHNTJQBPDCCNE-AVGNSLFASA-N -1 3 380.416 0.294 20 0 GCADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574489655 949971285 /nfs/dbraw/zinc/97/12/85/949971285.db2.gz KFHNTJQBPDCCNE-AVGNSLFASA-N -1 3 380.416 0.294 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H](O)C(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574148051 949971630 /nfs/dbraw/zinc/97/16/30/949971630.db2.gz JMMFWQZOCCNWMH-SMDDNHRTSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H](O)C(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574148051 949971643 /nfs/dbraw/zinc/97/16/43/949971643.db2.gz JMMFWQZOCCNWMH-SMDDNHRTSA-N -1 3 377.449 0.472 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575890930 949972294 /nfs/dbraw/zinc/97/22/94/949972294.db2.gz BMIRDCVQFWBRGR-WDEREUQCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575890930 949972315 /nfs/dbraw/zinc/97/23/15/949972315.db2.gz BMIRDCVQFWBRGR-WDEREUQCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnn(C)c1Cl ZINC001574974292 949972965 /nfs/dbraw/zinc/97/29/65/949972965.db2.gz NSUMCCCWFCAMIC-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnn(C)c1Cl ZINC001574974292 949972982 /nfs/dbraw/zinc/97/29/82/949972982.db2.gz NSUMCCCWFCAMIC-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574148059 949973221 /nfs/dbraw/zinc/97/32/21/949973221.db2.gz JSOYLBKRUVDSRS-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cn1cccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574148059 949973233 /nfs/dbraw/zinc/97/32/33/949973233.db2.gz JSOYLBKRUVDSRS-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575286181 949973470 /nfs/dbraw/zinc/97/34/70/949973470.db2.gz UDOZTRCVZCZXLP-RISCZKNCSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575286181 949973483 /nfs/dbraw/zinc/97/34/83/949973483.db2.gz UDOZTRCVZCZXLP-RISCZKNCSA-N -1 3 386.460 0.256 20 0 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949980876 /nfs/dbraw/zinc/98/08/76/949980876.db2.gz YHZXDQGXNCNSOQ-TZMCWYRMSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727735 949981866 /nfs/dbraw/zinc/98/18/66/949981866.db2.gz YQGQLYQUXCZVRA-ZDUSSCGKSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](CN(C)C(=O)CN1CCCCCC1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727735 949981875 /nfs/dbraw/zinc/98/18/75/949981875.db2.gz YQGQLYQUXCZVRA-ZDUSSCGKSA-N -1 3 386.460 0.923 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001575891106 949984083 /nfs/dbraw/zinc/98/40/83/949984083.db2.gz DXXINPSDWOUIBW-STQMWFEESA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575891180 949989681 /nfs/dbraw/zinc/98/96/81/949989681.db2.gz GHKAIOOUANANII-ONGXEEELSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575891180 949989701 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383.416 0.214 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001574974663 949996918 /nfs/dbraw/zinc/99/69/18/949996918.db2.gz RFOGDXAXBVZQLZ-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1CCCCO1 ZINC001574974663 949996934 /nfs/dbraw/zinc/99/69/34/949996934.db2.gz RFOGDXAXBVZQLZ-YPMHNXCESA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573831421 949997367 /nfs/dbraw/zinc/99/73/67/949997367.db2.gz XWVDVEYUVOLCFV-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573831421 949997377 /nfs/dbraw/zinc/99/73/77/949997377.db2.gz XWVDVEYUVOLCFV-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)(C)C ZINC001574490436 949997603 /nfs/dbraw/zinc/99/76/03/949997603.db2.gz RNHDOHIIVXZDGI-VXGBXAGGSA-N -1 3 391.476 0.864 20 0 GCADHM 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383.416 0.421 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccn1 ZINC001574491974 950048633 /nfs/dbraw/zinc/04/86/33/950048633.db2.gz HWSLCEPWUWMDJN-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccn1 ZINC001574491975 950048960 /nfs/dbraw/zinc/04/89/60/950048960.db2.gz HWSLCEPWUWMDJN-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccn1 ZINC001574491975 950048984 /nfs/dbraw/zinc/04/89/84/950048984.db2.gz HWSLCEPWUWMDJN-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@]1(C(=O)NCC2(CCNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575575287 950052448 /nfs/dbraw/zinc/05/24/48/950052448.db2.gz IGFPJZZGKMQMFH-QGZVFWFLSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@@]1(C(=O)NCC2(CCNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575575287 950052473 /nfs/dbraw/zinc/05/24/73/950052473.db2.gz IGFPJZZGKMQMFH-QGZVFWFLSA-N -1 3 387.444 0.638 20 0 GCADHM 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ZINC001576182794 950063702 /nfs/dbraw/zinc/06/37/02/950063702.db2.gz PJXPNYRYZNSYFS-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576182794 950063724 /nfs/dbraw/zinc/06/37/24/950063724.db2.gz PJXPNYRYZNSYFS-TVQRCGJNSA-N -1 3 385.388 0.249 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151356 950068889 /nfs/dbraw/zinc/06/88/89/950068889.db2.gz PVBQBELFOWNHAE-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnn(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151356 950068907 /nfs/dbraw/zinc/06/89/07/950068907.db2.gz PVBQBELFOWNHAE-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575892437 950071111 /nfs/dbraw/zinc/07/11/11/950071111.db2.gz VXHFXCHBWQCFPJ-MWLCHTKSSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575892437 950071134 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YLZDSNSUBGUHNU-NXEZZACHSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cccc(=O)[nH]2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575892618 950075665 /nfs/dbraw/zinc/07/56/65/950075665.db2.gz YLZDSNSUBGUHNU-NXEZZACHSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CC2)CCCS1(=O)=O ZINC001575576633 950076882 /nfs/dbraw/zinc/07/68/82/950076882.db2.gz SGIJPXPZRLXYSZ-OAHLLOKOSA-N -1 3 391.457 0.290 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CC2)CCCS1(=O)=O ZINC001575576633 950076903 /nfs/dbraw/zinc/07/69/03/950076903.db2.gz SGIJPXPZRLXYSZ-OAHLLOKOSA-N -1 3 391.457 0.290 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574492461 950080810 /nfs/dbraw/zinc/08/08/10/950080810.db2.gz MXTBEHDIGZKDLZ-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574492461 950080831 /nfs/dbraw/zinc/08/08/31/950080831.db2.gz MXTBEHDIGZKDLZ-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccn2C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575892729 950081589 /nfs/dbraw/zinc/08/15/89/950081589.db2.gz YUWNWYVMAYKHNR-NWDGAFQWSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccn2C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575892729 950081611 /nfs/dbraw/zinc/08/16/11/950081611.db2.gz YUWNWYVMAYKHNR-NWDGAFQWSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575892634 950082823 /nfs/dbraw/zinc/08/28/23/950082823.db2.gz YOMMCLWMUSJKDL-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)COCC1CC1 ZINC001575892634 950082837 /nfs/dbraw/zinc/08/28/37/950082837.db2.gz YOMMCLWMUSJKDL-AAEUAGOBSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncn2C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575893457 950083574 /nfs/dbraw/zinc/08/35/74/950083574.db2.gz AAPZNVGSOCBJPY-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncn2C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575893457 950083594 /nfs/dbraw/zinc/08/35/94/950083594.db2.gz AAPZNVGSOCBJPY-JQWIXIFHSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COC1CCCCC1 ZINC001574976562 950083864 /nfs/dbraw/zinc/08/38/64/950083864.db2.gz VOCIWHPTHNCWJX-LLVKDONJSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC1CCCCC1 ZINC001574976562 950083882 /nfs/dbraw/zinc/08/38/82/950083882.db2.gz VOCIWHPTHNCWJX-LLVKDONJSA-N -1 3 375.433 0.779 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccnn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151619 950088037 /nfs/dbraw/zinc/08/80/37/950088037.db2.gz WGJSHCKMYJTMIZ-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccnn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151619 950088057 /nfs/dbraw/zinc/08/80/57/950088057.db2.gz WGJSHCKMYJTMIZ-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cccnn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151677 950088460 /nfs/dbraw/zinc/08/84/60/950088460.db2.gz XTNICXZQFSKTED-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cccnn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151677 950088478 /nfs/dbraw/zinc/08/84/78/950088478.db2.gz XTNICXZQFSKTED-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CC(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccncc1 ZINC001574492550 950090778 /nfs/dbraw/zinc/09/07/78/950090778.db2.gz BBZOKWKHQMMXTQ-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](CC(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccncc1 ZINC001574492550 950090797 /nfs/dbraw/zinc/09/07/97/950090797.db2.gz BBZOKWKHQMMXTQ-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573836814 950091608 /nfs/dbraw/zinc/09/16/08/950091608.db2.gz RXXCJCFGGSOTBK-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573836814 950091632 /nfs/dbraw/zinc/09/16/32/950091632.db2.gz RXXCJCFGGSOTBK-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnsn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151806 950091858 /nfs/dbraw/zinc/09/18/58/950091858.db2.gz YMBBJSQZHKDORJ-SECBINFHSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnsn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151806 950091880 /nfs/dbraw/zinc/09/18/80/950091880.db2.gz YMBBJSQZHKDORJ-SECBINFHSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H](CC(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccncc1 ZINC001574492551 950093559 /nfs/dbraw/zinc/09/35/59/950093559.db2.gz BBZOKWKHQMMXTQ-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](CC(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccncc1 ZINC001574492551 950093585 /nfs/dbraw/zinc/09/35/85/950093585.db2.gz BBZOKWKHQMMXTQ-NSHDSACASA-N -1 3 380.412 0.724 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151814 950094929 /nfs/dbraw/zinc/09/49/29/950094929.db2.gz YSGZTNZLJWBTME-CYBMUJFWSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnn(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151814 950094951 /nfs/dbraw/zinc/09/49/51/950094951.db2.gz YSGZTNZLJWBTME-CYBMUJFWSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573836839 950097395 /nfs/dbraw/zinc/09/73/95/950097395.db2.gz SJHAQZMCKCWFPO-JOCQHMNTSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573836839 950097415 /nfs/dbraw/zinc/09/74/15/950097415.db2.gz SJHAQZMCKCWFPO-JOCQHMNTSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1ncccc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574733104 950098863 /nfs/dbraw/zinc/09/88/63/950098863.db2.gz RZWVLEXPXGOKCX-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1ncccc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574733104 950098879 /nfs/dbraw/zinc/09/88/79/950098879.db2.gz RZWVLEXPXGOKCX-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCNC(N)=O ZINC001574152384 950098727 /nfs/dbraw/zinc/09/87/27/950098727.db2.gz AZFUGFQXGVUFFN-LBPRGKRZSA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCNC(N)=O ZINC001574152384 950098748 /nfs/dbraw/zinc/09/87/48/950098748.db2.gz AZFUGFQXGVUFFN-LBPRGKRZSA-N -1 3 375.437 0.263 20 0 GCADHM C[C@H](CC(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574492653 950099032 /nfs/dbraw/zinc/09/90/32/950099032.db2.gz ODHIFBXAFJZOEJ-FKTRJACZSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574492653 950099051 /nfs/dbraw/zinc/09/90/51/950099051.db2.gz ODHIFBXAFJZOEJ-FKTRJACZSA-N -1 3 391.411 0.154 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCNC(N)=O ZINC001574152383 950099732 /nfs/dbraw/zinc/09/97/32/950099732.db2.gz AZFUGFQXGVUFFN-GFCCVEGCSA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCNC(N)=O ZINC001574152383 950099751 /nfs/dbraw/zinc/09/97/51/950099751.db2.gz AZFUGFQXGVUFFN-GFCCVEGCSA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)C[C@@H](CNCc1nncs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574152440 950103120 /nfs/dbraw/zinc/10/31/20/950103120.db2.gz CFUGJBUAEKPMGA-NSHDSACASA-N -1 3 375.462 0.981 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575894645 950106927 /nfs/dbraw/zinc/10/69/27/950106927.db2.gz FNQORAVDULBLQT-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575894645 950106940 /nfs/dbraw/zinc/10/69/40/950106940.db2.gz FNQORAVDULBLQT-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575582527 950115522 /nfs/dbraw/zinc/11/55/22/950115522.db2.gz FFWFHGCPFOIWNK-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575582527 950115536 /nfs/dbraw/zinc/11/55/36/950115536.db2.gz FFWFHGCPFOIWNK-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1coc(C2CCC2)n1 ZINC001574977268 950116064 /nfs/dbraw/zinc/11/60/64/950116064.db2.gz IUKBADLMFWTLIO-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1coc(C2CCC2)n1 ZINC001574977268 950116095 /nfs/dbraw/zinc/11/60/95/950116095.db2.gz IUKBADLMFWTLIO-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCNC(N)=O ZINC001574152851 950120876 /nfs/dbraw/zinc/12/08/76/950120876.db2.gz KQQPIQPNYSTZJG-GFCCVEGCSA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CCNC(N)=O ZINC001574152851 950120890 /nfs/dbraw/zinc/12/08/90/950120890.db2.gz KQQPIQPNYSTZJG-GFCCVEGCSA-N -1 3 375.437 0.263 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575896114 950121438 /nfs/dbraw/zinc/12/14/38/950121438.db2.gz KBNVHZPQAQMWHT-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575896114 950121448 /nfs/dbraw/zinc/12/14/48/950121448.db2.gz KBNVHZPQAQMWHT-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574493277 950121998 /nfs/dbraw/zinc/12/19/98/950121998.db2.gz RRYNSHNHDXQTLR-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574493277 950122030 /nfs/dbraw/zinc/12/20/30/950122030.db2.gz RRYNSHNHDXQTLR-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)CCCOC1 ZINC001575582633 950124249 /nfs/dbraw/zinc/12/42/49/950124249.db2.gz LPXCXYOPAQKJEZ-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@@]1(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CCCOC1 ZINC001575582633 950124260 /nfs/dbraw/zinc/12/42/60/950124260.db2.gz LPXCXYOPAQKJEZ-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574733928 950125024 /nfs/dbraw/zinc/12/50/24/950125024.db2.gz HCRFHMWCTOMGNJ-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574733928 950125036 /nfs/dbraw/zinc/12/50/36/950125036.db2.gz HCRFHMWCTOMGNJ-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)CCCOC1 ZINC001575582635 950126419 /nfs/dbraw/zinc/12/64/19/950126419.db2.gz LPXCXYOPAQKJEZ-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CCCOC1 ZINC001575582635 950126428 /nfs/dbraw/zinc/12/64/28/950126428.db2.gz LPXCXYOPAQKJEZ-SFHVURJKSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574734198 950126694 /nfs/dbraw/zinc/12/66/94/950126694.db2.gz KPTHZWIRYTZTND-SFYZADRCSA-N -1 3 381.828 0.231 20 0 GCADHM 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/nfs/dbraw/zinc/16/48/58/950164858.db2.gz CAGRTUIMTSAPCA-GFCCVEGCSA-N -1 3 385.432 0.957 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001574982456 950166380 /nfs/dbraw/zinc/16/63/80/950166380.db2.gz CUOROKZTHZSBOJ-KDOFPFPSSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1CCCCO1)C1CC1 ZINC001574982456 950166391 /nfs/dbraw/zinc/16/63/91/950166391.db2.gz CUOROKZTHZSBOJ-KDOFPFPSSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575899550 950172780 /nfs/dbraw/zinc/17/27/80/950172780.db2.gz XRPPOZRFJSTVGN-ZWNOBZJWSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccnn2C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575899550 950172792 /nfs/dbraw/zinc/17/27/92/950172792.db2.gz XRPPOZRFJSTVGN-ZWNOBZJWSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1CCN(C(=O)c2cocn2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576190896 950174387 /nfs/dbraw/zinc/17/43/87/950174387.db2.gz CJUDWJMQPXMHOC-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2cocn2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576190896 950174408 /nfs/dbraw/zinc/17/44/08/950174408.db2.gz CJUDWJMQPXMHOC-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575899549 950174782 /nfs/dbraw/zinc/17/47/82/950174782.db2.gz XRPPOZRFJSTVGN-MFKMUULPSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnn2C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575899549 950174797 /nfs/dbraw/zinc/17/47/97/950174797.db2.gz XRPPOZRFJSTVGN-MFKMUULPSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001574982657 950175021 /nfs/dbraw/zinc/17/50/21/950175021.db2.gz FHLXMLXRVYRNDY-DLBZAZTESA-N -1 3 391.407 0.338 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@@]1(F)CCOC1)C1CC1 ZINC001574982657 950175036 /nfs/dbraw/zinc/17/50/36/950175036.db2.gz FHLXMLXRVYRNDY-DLBZAZTESA-N -1 3 391.407 0.338 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnnn1C(C)(C)C ZINC001574738561 950175769 /nfs/dbraw/zinc/17/57/69/950175769.db2.gz GNNNJGHZLDCMAV-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1ccnc1 ZINC001574494696 950179834 /nfs/dbraw/zinc/17/98/34/950179834.db2.gz MSJQWZZDCLNOSJ-YPMHNXCESA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1ccnc1 ZINC001574494696 950179848 /nfs/dbraw/zinc/17/98/48/950179848.db2.gz MSJQWZZDCLNOSJ-YPMHNXCESA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCc1nn(C)cc1Cl ZINC001574738991 950183109 /nfs/dbraw/zinc/18/31/09/950183109.db2.gz KAWGOWUVIUPRRU-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nn(C)cc1Cl ZINC001574738991 950183124 /nfs/dbraw/zinc/18/31/24/950183124.db2.gz KAWGOWUVIUPRRU-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1ocnc1C1CC1 ZINC001574982867 950186386 /nfs/dbraw/zinc/18/63/86/950186386.db2.gz HMTIRNMTBOZEBO-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1ocnc1C1CC1 ZINC001574982867 950186395 /nfs/dbraw/zinc/18/63/95/950186395.db2.gz HMTIRNMTBOZEBO-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn2c1CCC2 ZINC001574739353 950190335 /nfs/dbraw/zinc/19/03/35/950190335.db2.gz NXERVYKNOQOXNG-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn2c1CCC2 ZINC001574739353 950190343 /nfs/dbraw/zinc/19/03/43/950190343.db2.gz NXERVYKNOQOXNG-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001574982976 950192800 /nfs/dbraw/zinc/19/28/00/950192800.db2.gz ILSNTQRNTWMRKX-AAEUAGOBSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001574982976 950192811 /nfs/dbraw/zinc/19/28/11/950192811.db2.gz ILSNTQRNTWMRKX-AAEUAGOBSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574494960 950193080 /nfs/dbraw/zinc/19/30/80/950193080.db2.gz QPFAKLRJJXXMFL-YPMHNXCESA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574494960 950193090 /nfs/dbraw/zinc/19/30/90/950193090.db2.gz QPFAKLRJJXXMFL-YPMHNXCESA-N -1 3 391.476 0.864 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ccnnc1)C1CC1 ZINC001574982982 950194101 /nfs/dbraw/zinc/19/41/01/950194101.db2.gz IPHAAQJTLGANPK-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ccnnc1)C1CC1 ZINC001574982982 950194120 /nfs/dbraw/zinc/19/41/20/950194120.db2.gz IPHAAQJTLGANPK-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900286 950195167 /nfs/dbraw/zinc/19/51/67/950195167.db2.gz DFBNKLXHBAGJKX-LDYMZIIASA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900286 950195179 /nfs/dbraw/zinc/19/51/79/950195179.db2.gz DFBNKLXHBAGJKX-LDYMZIIASA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900284 950195201 /nfs/dbraw/zinc/19/52/01/950195201.db2.gz DFBNKLXHBAGJKX-KCJUWKMLSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900284 950195208 /nfs/dbraw/zinc/19/52/08/950195208.db2.gz DFBNKLXHBAGJKX-KCJUWKMLSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1ncccc1F ZINC001574739446 950195439 /nfs/dbraw/zinc/19/54/39/950195439.db2.gz QEVNVPPIELMHRN-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1ncccc1F ZINC001574739446 950195450 /nfs/dbraw/zinc/19/54/50/950195450.db2.gz QEVNVPPIELMHRN-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2csnn2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575900270 950195666 /nfs/dbraw/zinc/19/56/66/950195666.db2.gz CZWYRUINYHVJAZ-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2csnn2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575900270 950195675 /nfs/dbraw/zinc/19/56/75/950195675.db2.gz CZWYRUINYHVJAZ-WPRPVWTQSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H](CC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001574495130 950196501 /nfs/dbraw/zinc/19/65/01/950196501.db2.gz RFZASIHVQNQIQT-JTQLQIEISA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](CC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001574495130 950196512 /nfs/dbraw/zinc/19/65/12/950196512.db2.gz RFZASIHVQNQIQT-JTQLQIEISA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CC1(C)C)NC(N)=O ZINC001574495004 950197969 /nfs/dbraw/zinc/19/79/69/950197969.db2.gz RAWQCVPBMHDWLG-ZYHUDNBSSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CC1(C)C)NC(N)=O ZINC001574495004 950197985 /nfs/dbraw/zinc/19/79/85/950197985.db2.gz RAWQCVPBMHDWLG-ZYHUDNBSSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@]1(C)CCCOC1 ZINC001574983037 950198338 /nfs/dbraw/zinc/19/83/38/950198338.db2.gz JAUJRAQSOYDSFW-GTNSWQLSSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@]1(C)CCCOC1 ZINC001574983037 950198354 /nfs/dbraw/zinc/19/83/54/950198354.db2.gz JAUJRAQSOYDSFW-GTNSWQLSSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001574983090 950199539 /nfs/dbraw/zinc/19/95/39/950199539.db2.gz JUSCKPBTJLUFLF-JTQLQIEISA-N -1 3 385.432 0.378 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C2CC2)on1 ZINC001574739598 950199753 /nfs/dbraw/zinc/19/97/53/950199753.db2.gz SRYQLCLFWJZGSD-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C2CC2)on1 ZINC001574739598 950199764 /nfs/dbraw/zinc/19/97/64/950199764.db2.gz SRYQLCLFWJZGSD-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574155594 950200201 /nfs/dbraw/zinc/20/02/01/950200201.db2.gz ONLVCOGRFKGXQP-ACJLOTCBSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574155594 950200211 /nfs/dbraw/zinc/20/02/11/950200211.db2.gz ONLVCOGRFKGXQP-ACJLOTCBSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900525 950202708 /nfs/dbraw/zinc/20/27/08/950202708.db2.gz GSPVQVOMQAQOTC-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900525 950202727 /nfs/dbraw/zinc/20/27/27/950202727.db2.gz GSPVQVOMQAQOTC-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001574983189 950205035 /nfs/dbraw/zinc/20/50/35/950205035.db2.gz MCPGTBMHRUFFGO-GOSISDBHSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)Cc1ccc[nH]1)C1CC1 ZINC001574983189 950205052 /nfs/dbraw/zinc/20/50/52/950205052.db2.gz MCPGTBMHRUFFGO-GOSISDBHSA-N -1 3 382.428 0.780 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574495692 950206052 /nfs/dbraw/zinc/20/60/52/950206052.db2.gz UPTNWOQRPVSLBY-TVQRCGJNSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574495692 950206074 /nfs/dbraw/zinc/20/60/74/950206074.db2.gz UPTNWOQRPVSLBY-TVQRCGJNSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)C1CCC(O)CC1 ZINC001574983158 950206251 /nfs/dbraw/zinc/20/62/51/950206251.db2.gz LGOVHWRVGNXQDE-ZBOXLXRLSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)C1CCC(O)CC1 ZINC001574983158 950206272 /nfs/dbraw/zinc/20/62/72/950206272.db2.gz LGOVHWRVGNXQDE-ZBOXLXRLSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1cc(Cl)c(=O)[nH]n1 ZINC001574739707 950206810 /nfs/dbraw/zinc/20/68/10/950206810.db2.gz WDBZNFBWGBTWGB-ZETCQYMHSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncoc1C1CC1 ZINC001574739724 950207310 /nfs/dbraw/zinc/20/73/10/950207310.db2.gz WPLKWUKHLDDDQD-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncoc1C1CC1 ZINC001574739724 950207324 /nfs/dbraw/zinc/20/73/24/950207324.db2.gz WPLKWUKHLDDDQD-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573844964 950210432 /nfs/dbraw/zinc/21/04/32/950210432.db2.gz PFBYKMQSJCJHOD-ZIAGYGMSSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573844964 950210452 /nfs/dbraw/zinc/21/04/52/950210452.db2.gz PFBYKMQSJCJHOD-ZIAGYGMSSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576191930 950214402 /nfs/dbraw/zinc/21/44/02/950214402.db2.gz KTXHWOMAZDCCRG-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576191930 950214419 /nfs/dbraw/zinc/21/44/19/950214419.db2.gz KTXHWOMAZDCCRG-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001574983391 950218518 /nfs/dbraw/zinc/21/85/18/950218518.db2.gz OHLMRYHQQOEWCW-KRWDZBQOSA-N -1 3 387.444 0.515 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)CC1(O)CCC1)C1CC1 ZINC001574983391 950218539 /nfs/dbraw/zinc/21/85/39/950218539.db2.gz OHLMRYHQQOEWCW-KRWDZBQOSA-N -1 3 387.444 0.515 20 0 GCADHM C[C@H](CC(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccncc1 ZINC001574496615 950221137 /nfs/dbraw/zinc/22/11/37/950221137.db2.gz XZLHIMBOODAHDR-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](CC(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccncc1 ZINC001574496615 950221153 /nfs/dbraw/zinc/22/11/53/950221153.db2.gz XZLHIMBOODAHDR-LLVKDONJSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H](C)c1cncnc1 ZINC001574983531 950222690 /nfs/dbraw/zinc/22/26/90/950222690.db2.gz PDIVLNFPEFSMMX-GHMZBOCLSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H](C)c1cncnc1 ZINC001574983531 950222710 /nfs/dbraw/zinc/22/27/10/950222710.db2.gz PDIVLNFPEFSMMX-GHMZBOCLSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001574983532 950222746 /nfs/dbraw/zinc/22/27/46/950222746.db2.gz PDIVLNFPEFSMMX-MNOVXSKESA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H](C)c1cncnc1 ZINC001574983532 950222767 /nfs/dbraw/zinc/22/27/67/950222767.db2.gz PDIVLNFPEFSMMX-MNOVXSKESA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575901242 950223120 /nfs/dbraw/zinc/22/31/20/950223120.db2.gz MPRTUWQTQBUGAQ-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901242 950223141 /nfs/dbraw/zinc/22/31/41/950223141.db2.gz MPRTUWQTQBUGAQ-BXKDBHETSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575586806 950223743 /nfs/dbraw/zinc/22/37/43/950223743.db2.gz KBPFAFZIUGFRJI-UGSOOPFHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)CCC(=O)NC1 ZINC001575586806 950223766 /nfs/dbraw/zinc/22/37/66/950223766.db2.gz KBPFAFZIUGFRJI-UGSOOPFHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2n[nH]cc2F)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901234 950225703 /nfs/dbraw/zinc/22/57/03/950225703.db2.gz MPFCPEBJFKDVCZ-PSASIEDQSA-N -1 3 387.379 0.480 20 0 GCADHM 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950227710 /nfs/dbraw/zinc/22/77/10/950227710.db2.gz KZPYBXNUQQIFJP-SGTLLEGYSA-N -1 3 384.444 0.121 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)Cc1ccon1)C1CC1 ZINC001574983595 950230085 /nfs/dbraw/zinc/23/00/85/950230085.db2.gz QDIQINDMUKXBRV-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)Cc1ccon1)C1CC1 ZINC001574983595 950230095 /nfs/dbraw/zinc/23/00/95/950230095.db2.gz QDIQINDMUKXBRV-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ncc(-c3nnn[n-]3)cc2F)CCOC1 ZINC001575587313 950232334 /nfs/dbraw/zinc/23/23/34/950232334.db2.gz NKVAEAZRNSQNKA-SJKOYZFVSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ncc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001575587313 950232350 /nfs/dbraw/zinc/23/23/50/950232350.db2.gz NKVAEAZRNSQNKA-SJKOYZFVSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cncn1C ZINC001574741387 950242847 /nfs/dbraw/zinc/24/28/47/950242847.db2.gz 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/nfs/dbraw/zinc/25/68/03/950256803.db2.gz WIMDDWIVMKZINX-ZETCQYMHSA-N -1 3 376.402 0.153 20 0 GCADHM C[C@H](CNC(=O)c1csc(=O)[nH]1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574984088 950256823 /nfs/dbraw/zinc/25/68/23/950256823.db2.gz WIMDDWIVMKZINX-ZETCQYMHSA-N -1 3 376.402 0.153 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575588823 950256917 /nfs/dbraw/zinc/25/69/17/950256917.db2.gz ULODDHJMLBCSMH-GTNSWQLSSA-N -1 3 375.408 0.770 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575588823 950256932 /nfs/dbraw/zinc/25/69/32/950256932.db2.gz ULODDHJMLBCSMH-GTNSWQLSSA-N -1 3 375.408 0.770 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)Cn1cccn1)C1CC1 ZINC001574984033 950257268 /nfs/dbraw/zinc/25/72/68/950257268.db2.gz VCPSIALTXSPXDE-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)Cn1cccn1)C1CC1 ZINC001574984033 950257292 /nfs/dbraw/zinc/25/72/92/950257292.db2.gz VCPSIALTXSPXDE-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COC1CCCC1 ZINC001574741832 950258418 /nfs/dbraw/zinc/25/84/18/950258418.db2.gz DURVCWCVKGCZJD-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COC1CCCC1 ZINC001574741832 950258435 /nfs/dbraw/zinc/25/84/35/950258435.db2.gz DURVCWCVKGCZJD-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574984157 950261175 /nfs/dbraw/zinc/26/11/75/950261175.db2.gz WCHRZFLGYHVYCC-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574984157 950261192 /nfs/dbraw/zinc/26/11/92/950261192.db2.gz WCHRZFLGYHVYCC-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCCO2)CCC1 ZINC001575589696 950268655 /nfs/dbraw/zinc/26/86/55/950268655.db2.gz XJQRWUBPDPYCCH-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCCO2)CCC1 ZINC001575589696 950268676 /nfs/dbraw/zinc/26/86/76/950268676.db2.gz XJQRWUBPDPYCCH-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCCO2)CCC1 ZINC001575589695 950269328 /nfs/dbraw/zinc/26/93/28/950269328.db2.gz XJQRWUBPDPYCCH-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCCO2)CCC1 ZINC001575589695 950269360 /nfs/dbraw/zinc/26/93/60/950269360.db2.gz XJQRWUBPDPYCCH-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)n1ccnc1 ZINC001574498363 950270354 /nfs/dbraw/zinc/27/03/54/950270354.db2.gz MTYMLEXESLWPCK-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)n1ccnc1 ZINC001574498363 950270375 /nfs/dbraw/zinc/27/03/75/950270375.db2.gz MTYMLEXESLWPCK-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nn2)CCC1)n1ccnc1 ZINC001574498362 950271161 /nfs/dbraw/zinc/27/11/61/950271161.db2.gz MTYMLEXESLWPCK-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)n1ccnc1 ZINC001574498362 950271178 /nfs/dbraw/zinc/27/11/78/950271178.db2.gz MTYMLEXESLWPCK-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM CC1(C(=O)NCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCOCC1 ZINC001575592106 950275620 /nfs/dbraw/zinc/27/56/20/950275620.db2.gz CWOSXKMVPFRYKN-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCOCC1 ZINC001575592106 950275640 /nfs/dbraw/zinc/27/56/40/950275640.db2.gz CWOSXKMVPFRYKN-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574984546 950276402 /nfs/dbraw/zinc/27/64/02/950276402.db2.gz YWLUYBBWQGXODD-MRVPVSSYSA-N -1 3 375.368 0.095 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574984546 950276420 /nfs/dbraw/zinc/27/64/20/950276420.db2.gz YWLUYBBWQGXODD-MRVPVSSYSA-N -1 3 375.368 0.095 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573850867 950277509 /nfs/dbraw/zinc/27/75/09/950277509.db2.gz NAYWNFUPXRVLEK-LBPRGKRZSA-N -1 3 389.464 0.097 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1COCCN1C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001573850892 950280104 /nfs/dbraw/zinc/28/01/04/950280104.db2.gz NYGWRVHIPSYFHW-GJZGRUSLSA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1COCCN1C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001573850892 950280120 /nfs/dbraw/zinc/28/01/20/950280120.db2.gz NYGWRVHIPSYFHW-GJZGRUSLSA-N -1 3 375.429 0.943 20 0 GCADHM CC1(C(=O)NCCN2CCC(Nc3ccnc(-c4nnn[n-]4)n3)CC2)CCC1 ZINC001575592249 950282338 /nfs/dbraw/zinc/28/23/38/950282338.db2.gz FHBVSGOQQYWFNY-UHFFFAOYSA-N -1 3 385.476 0.261 20 0 GCADHM CC1(C(=O)NCCN2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CCC1 ZINC001575592249 950282351 /nfs/dbraw/zinc/28/23/51/950282351.db2.gz FHBVSGOQQYWFNY-UHFFFAOYSA-N -1 3 385.476 0.261 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574158522 950282535 /nfs/dbraw/zinc/28/25/35/950282535.db2.gz CCNAYMYABUWNFT-YPMHNXCESA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574158522 950282549 /nfs/dbraw/zinc/28/25/49/950282549.db2.gz CCNAYMYABUWNFT-YPMHNXCESA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCC(=O)N1 ZINC001574158521 950283082 /nfs/dbraw/zinc/28/30/82/950283082.db2.gz CCNAYMYABUWNFT-WCQYABFASA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCC(=O)N1 ZINC001574158521 950283102 /nfs/dbraw/zinc/28/31/02/950283102.db2.gz CCNAYMYABUWNFT-WCQYABFASA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573851143 950287274 /nfs/dbraw/zinc/28/72/74/950287274.db2.gz SNUCBQNJYMBFAQ-GFCCVEGCSA-N -1 3 389.464 0.097 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573851143 950287290 /nfs/dbraw/zinc/28/72/90/950287290.db2.gz SNUCBQNJYMBFAQ-GFCCVEGCSA-N -1 3 389.464 0.097 20 0 GCADHM CC(C)N(C(=O)CN(C)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001574987236 950287483 /nfs/dbraw/zinc/28/74/83/950287483.db2.gz AVGLACQWMMIPEY-ZDUSSCGKSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)N(C(=O)CN(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001574987236 950287494 /nfs/dbraw/zinc/28/74/94/950287494.db2.gz AVGLACQWMMIPEY-ZDUSSCGKSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573851205 950288403 /nfs/dbraw/zinc/28/84/03/950288403.db2.gz USFISVLEJDNPGN-NSHDSACASA-N -1 3 389.464 0.097 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573851205 950288425 /nfs/dbraw/zinc/28/84/25/950288425.db2.gz USFISVLEJDNPGN-NSHDSACASA-N -1 3 389.464 0.097 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1ccnc1 ZINC001574498880 950288943 /nfs/dbraw/zinc/28/89/43/950288943.db2.gz QRYGZQMFQNNIRH-ZYHUDNBSSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1ccnc1 ZINC001574498880 950288954 /nfs/dbraw/zinc/28/89/54/950288954.db2.gz QRYGZQMFQNNIRH-ZYHUDNBSSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2COCCN2c2ncc(-c3nnn[n-]3)cc2F)CCOC1 ZINC001575592601 950291983 /nfs/dbraw/zinc/29/19/83/950291983.db2.gz CEEOUTUNVMFCNK-YVEFUNNKSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2COCCN2c2ncc(-c3nn[n-]n3)cc2F)CCOC1 ZINC001575592601 950292000 /nfs/dbraw/zinc/29/20/00/950292000.db2.gz CEEOUTUNVMFCNK-YVEFUNNKSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576193397 950294912 /nfs/dbraw/zinc/29/49/12/950294912.db2.gz UKFSBFMILBGGCV-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576193397 950294925 /nfs/dbraw/zinc/29/49/25/950294925.db2.gz UKFSBFMILBGGCV-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C(C)(C)c1c[nH]cn1 ZINC001574742494 950295128 /nfs/dbraw/zinc/29/51/28/950295128.db2.gz LXCJOSPAQFYJFB-JTQLQIEISA-N -1 3 385.432 0.472 20 0 GCADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]2C[C@H]2C1 ZINC001575592710 950296321 /nfs/dbraw/zinc/29/63/21/950296321.db2.gz JYDLZELKCLQLFH-FVGIMDHTSA-N -1 3 387.444 0.182 20 0 GCADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]2C[C@H]2C1 ZINC001575592710 950296339 /nfs/dbraw/zinc/29/63/39/950296339.db2.gz JYDLZELKCLQLFH-FVGIMDHTSA-N -1 3 387.444 0.182 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)OCC1CC1 ZINC001574742627 950296508 /nfs/dbraw/zinc/29/65/08/950296508.db2.gz QGWYPVAOGACVIR-GHMZBOCLSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)OCC1CC1 ZINC001574742627 950296523 /nfs/dbraw/zinc/29/65/23/950296523.db2.gz QGWYPVAOGACVIR-GHMZBOCLSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)CCOC1 ZINC001575592829 950296976 /nfs/dbraw/zinc/29/69/76/950296976.db2.gz CKPKFGBXDNJWGO-SJCJKPOMSA-N -1 3 391.407 0.149 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)CCOC1 ZINC001575592829 950296995 /nfs/dbraw/zinc/29/69/95/950296995.db2.gz CKPKFGBXDNJWGO-SJCJKPOMSA-N -1 3 391.407 0.149 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CCOCC1 ZINC001574158889 950298121 /nfs/dbraw/zinc/29/81/21/950298121.db2.gz DYBVZWZOQFTMFR-AWEZNQCLSA-N -1 3 388.476 0.537 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CCOCC1 ZINC001574158889 950298140 /nfs/dbraw/zinc/29/81/40/950298140.db2.gz DYBVZWZOQFTMFR-AWEZNQCLSA-N -1 3 388.476 0.537 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)c1cncnc1 ZINC001574742633 950299947 /nfs/dbraw/zinc/29/99/47/950299947.db2.gz QHCFPVMQQREDPY-GHMZBOCLSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)c1cncnc1 ZINC001574742633 950299973 /nfs/dbraw/zinc/29/99/73/950299973.db2.gz QHCFPVMQQREDPY-GHMZBOCLSA-N -1 3 383.416 0.365 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cn2)[C@@H](O)C1 ZINC001573852356 950308362 /nfs/dbraw/zinc/30/83/62/950308362.db2.gz FZJZLYURXNHEAH-AAEUAGOBSA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cn2)[C@@H](O)C1 ZINC001573852356 950308390 /nfs/dbraw/zinc/30/83/90/950308390.db2.gz FZJZLYURXNHEAH-AAEUAGOBSA-N -1 3 389.416 0.362 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CCCOC1 ZINC001574742769 950309772 /nfs/dbraw/zinc/30/97/72/950309772.db2.gz PZAADIUBUDZJFH-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CCCOC1 ZINC001574742769 950309795 /nfs/dbraw/zinc/30/97/95/950309795.db2.gz PZAADIUBUDZJFH-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCCn1cccn1 ZINC001574988002 950310270 /nfs/dbraw/zinc/31/02/70/950310270.db2.gz KKCQLPGNQSLOBR-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCCn1cccn1 ZINC001574988002 950310291 /nfs/dbraw/zinc/31/02/91/950310291.db2.gz KKCQLPGNQSLOBR-GFCCVEGCSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001574988163 950318085 /nfs/dbraw/zinc/31/80/85/950318085.db2.gz NLDCOJFLHDCDCA-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001574988163 950318105 /nfs/dbraw/zinc/31/81/05/950318105.db2.gz NLDCOJFLHDCDCA-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1ncnn1 ZINC001574159784 950319180 /nfs/dbraw/zinc/31/91/80/950319180.db2.gz IWGJEOJREGCRAI-NSHDSACASA-N -1 3 389.399 0.030 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1ncnn1 ZINC001574159784 950319199 /nfs/dbraw/zinc/31/91/99/950319199.db2.gz IWGJEOJREGCRAI-NSHDSACASA-N -1 3 389.399 0.030 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001574988125 950320936 /nfs/dbraw/zinc/32/09/36/950320936.db2.gz MMHJPGGLGBLJKY-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc2n(n1)CCC2 ZINC001574988125 950320955 /nfs/dbraw/zinc/32/09/55/950320955.db2.gz MMHJPGGLGBLJKY-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCCCCC1 ZINC001574988160 950323211 /nfs/dbraw/zinc/32/32/11/950323211.db2.gz NKSSXYJKEBSPLX-ZDUSSCGKSA-N -1 3 388.476 0.648 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)N1CCCCCC1 ZINC001574988160 950323233 /nfs/dbraw/zinc/32/32/33/950323233.db2.gz NKSSXYJKEBSPLX-ZDUSSCGKSA-N -1 3 388.476 0.648 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001574988164 950323599 /nfs/dbraw/zinc/32/35/99/950323599.db2.gz NLDCOJFLHDCDCA-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001574988164 950323623 /nfs/dbraw/zinc/32/36/23/950323623.db2.gz NLDCOJFLHDCDCA-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001575594001 950327055 /nfs/dbraw/zinc/32/70/55/950327055.db2.gz IXXJYJUVNFOFCY-AWEZNQCLSA-N -1 3 387.444 0.400 20 0 GCADHM CC1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001575594001 950327078 /nfs/dbraw/zinc/32/70/78/950327078.db2.gz IXXJYJUVNFOFCY-AWEZNQCLSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)CCOC1 ZINC001575594030 950327411 /nfs/dbraw/zinc/32/74/11/950327411.db2.gz JCWIXDHLQWWPIV-APWZRJJASA-N -1 3 386.456 0.610 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)CCOC1 ZINC001575594030 950327431 /nfs/dbraw/zinc/32/74/31/950327431.db2.gz JCWIXDHLQWWPIV-APWZRJJASA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NCC(C)(C)C ZINC001574988400 950329870 /nfs/dbraw/zinc/32/98/70/950329870.db2.gz QUZSWZUKAATYIO-NSHDSACASA-N -1 3 376.465 0.407 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NCC(C)(C)C ZINC001574988400 950329883 /nfs/dbraw/zinc/32/98/83/950329883.db2.gz QUZSWZUKAATYIO-NSHDSACASA-N -1 3 376.465 0.407 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cnn2c1CCC2 ZINC001574988428 950330063 /nfs/dbraw/zinc/33/00/63/950330063.db2.gz RCYWWMGKVFUSIY-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cnn2c1CCC2 ZINC001574988428 950330080 /nfs/dbraw/zinc/33/00/80/950330080.db2.gz RCYWWMGKVFUSIY-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)CCC1 ZINC001575594463 950331108 /nfs/dbraw/zinc/33/11/08/950331108.db2.gz KAEIAXAWISJVRB-LBPRGKRZSA-N -1 3 375.408 0.912 20 0 GCADHM CC1(C(=O)NC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)CCC1 ZINC001575594463 950331133 /nfs/dbraw/zinc/33/11/33/950331133.db2.gz KAEIAXAWISJVRB-LBPRGKRZSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574501461 950331228 /nfs/dbraw/zinc/33/12/28/950331228.db2.gz DPKWMLQOLNSFML-GWCFXTLKSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574501461 950331252 /nfs/dbraw/zinc/33/12/52/950331252.db2.gz DPKWMLQOLNSFML-GWCFXTLKSA-N -1 3 390.423 0.143 20 0 GCADHM CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573853960 950331019 /nfs/dbraw/zinc/33/10/19/950331019.db2.gz VHPLQAAGRNQTSF-UHFFFAOYSA-N -1 3 392.391 0.717 20 0 GCADHM CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573853960 950331048 /nfs/dbraw/zinc/33/10/48/950331048.db2.gz VHPLQAAGRNQTSF-UHFFFAOYSA-N -1 3 392.391 0.717 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H](O)C1 ZINC001573853752 950331519 /nfs/dbraw/zinc/33/15/19/950331519.db2.gz VCLICQCRRRIWHQ-ZIAGYGMSSA-N -1 3 388.428 0.967 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H](O)C1 ZINC001573853752 950331540 /nfs/dbraw/zinc/33/15/40/950331540.db2.gz VCLICQCRRRIWHQ-ZIAGYGMSSA-N -1 3 388.428 0.967 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NCCC(C)(C)C ZINC001574988292 950331528 /nfs/dbraw/zinc/33/15/28/950331528.db2.gz QFWVVZKMETZZGJ-LBPRGKRZSA-N -1 3 390.492 0.797 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NCCC(C)(C)C ZINC001574988292 950331549 /nfs/dbraw/zinc/33/15/49/950331549.db2.gz QFWVVZKMETZZGJ-LBPRGKRZSA-N -1 3 390.492 0.797 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001573853730 950332063 /nfs/dbraw/zinc/33/20/63/950332063.db2.gz UVJFQKYQFVBNTL-JOYOIKCWSA-N -1 3 377.405 0.295 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001573853730 950332086 /nfs/dbraw/zinc/33/20/86/950332086.db2.gz UVJFQKYQFVBNTL-JOYOIKCWSA-N -1 3 377.405 0.295 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]nc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574743672 950333371 /nfs/dbraw/zinc/33/33/71/950333371.db2.gz VAGUCDHJSKXIHC-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]nc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574743672 950333393 /nfs/dbraw/zinc/33/33/93/950333393.db2.gz VAGUCDHJSKXIHC-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]1(C)CCCOC1 ZINC001574743724 950335315 /nfs/dbraw/zinc/33/53/15/950335315.db2.gz VMKXPGJGGGBKPK-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]1(C)CCCOC1 ZINC001574743724 950335333 /nfs/dbraw/zinc/33/53/33/950335333.db2.gz VMKXPGJGGGBKPK-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H]1CCCCO1 ZINC001574988490 950336083 /nfs/dbraw/zinc/33/60/83/950336083.db2.gz RXYBLVOVXHRDCZ-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H]1CCCCO1 ZINC001574988490 950336100 /nfs/dbraw/zinc/33/61/00/950336100.db2.gz RXYBLVOVXHRDCZ-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)CCCOC1 ZINC001575594623 950336877 /nfs/dbraw/zinc/33/68/77/950336877.db2.gz KYFZYRWPVWRDIH-RDTXWAMCSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)CCCOC1 ZINC001575594623 950336899 /nfs/dbraw/zinc/33/68/99/950336899.db2.gz KYFZYRWPVWRDIH-RDTXWAMCSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576194298 950337918 /nfs/dbraw/zinc/33/79/18/950337918.db2.gz YUMNHSSJCKKYGA-DGCLKSJQSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576194298 950337940 /nfs/dbraw/zinc/33/79/40/950337940.db2.gz YUMNHSSJCKKYGA-DGCLKSJQSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001576194379 950340647 /nfs/dbraw/zinc/34/06/47/950340647.db2.gz ZQDOPGQLKKQCDV-JQWIXIFHSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001576194379 950340670 /nfs/dbraw/zinc/34/06/70/950340670.db2.gz ZQDOPGQLKKQCDV-JQWIXIFHSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1ncccn1 ZINC001574988679 950341475 /nfs/dbraw/zinc/34/14/75/950341475.db2.gz UHOOIPKMMGGLOZ-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1ncccn1 ZINC001574988679 950341495 /nfs/dbraw/zinc/34/14/95/950341495.db2.gz UHOOIPKMMGGLOZ-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1(C)CCOCC1 ZINC001574744174 950342773 /nfs/dbraw/zinc/34/27/73/950342773.db2.gz XONOWZHCXQIOMM-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1(C)CCOCC1 ZINC001574744174 950342797 /nfs/dbraw/zinc/34/27/97/950342797.db2.gz XONOWZHCXQIOMM-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574988767 950345507 /nfs/dbraw/zinc/34/55/07/950345507.db2.gz UTKWZLMFBPYCPA-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001574988767 950345527 /nfs/dbraw/zinc/34/55/27/950345527.db2.gz UTKWZLMFBPYCPA-TZQJONAQSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576194480 950347353 /nfs/dbraw/zinc/34/73/53/950347353.db2.gz ZHADCLONMFNPMU-QWRGUYRKSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576194480 950347371 /nfs/dbraw/zinc/34/73/71/950347371.db2.gz ZHADCLONMFNPMU-QWRGUYRKSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001574988806 950347986 /nfs/dbraw/zinc/34/79/86/950347986.db2.gz VKECQGYJXYFLOF-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001574988806 950348001 /nfs/dbraw/zinc/34/80/01/950348001.db2.gz VKECQGYJXYFLOF-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001574501948 950347909 /nfs/dbraw/zinc/34/79/09/950347909.db2.gz HWMIRHDNMSPHCA-FZMZJTMJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001574501948 950347929 /nfs/dbraw/zinc/34/79/29/950347929.db2.gz HWMIRHDNMSPHCA-FZMZJTMJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574160642 950349207 /nfs/dbraw/zinc/34/92/07/950349207.db2.gz PQJLYMITMMOXDK-OCCSQVGLSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574160642 950349225 /nfs/dbraw/zinc/34/92/25/950349225.db2.gz PQJLYMITMMOXDK-OCCSQVGLSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574501934 950349307 /nfs/dbraw/zinc/34/93/07/950349307.db2.gz HVPRNXLMBPZZGJ-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NCC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574501934 950349322 /nfs/dbraw/zinc/34/93/22/950349322.db2.gz HVPRNXLMBPZZGJ-RYUDHWBXSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCOCC1 ZINC001574744283 950350008 /nfs/dbraw/zinc/35/00/08/950350008.db2.gz YGECUBFRGOHRMO-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCOCC1 ZINC001574744283 950350025 /nfs/dbraw/zinc/35/00/25/950350025.db2.gz YGECUBFRGOHRMO-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)CCO2)CCOC1 ZINC001575595311 950350419 /nfs/dbraw/zinc/35/04/19/950350419.db2.gz OFMZQWNWQXASBE-XIKOKIGWSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)CCO2)CCOC1 ZINC001575595311 950350440 /nfs/dbraw/zinc/35/04/40/950350440.db2.gz OFMZQWNWQXASBE-XIKOKIGWSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574744458 950353451 /nfs/dbraw/zinc/35/34/51/950353451.db2.gz YRDSMUWOEPIGBV-AAEUAGOBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CC(C)(C)CO1 ZINC001574744458 950353473 /nfs/dbraw/zinc/35/34/73/950353473.db2.gz YRDSMUWOEPIGBV-AAEUAGOBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574744606 950360311 /nfs/dbraw/zinc/36/03/11/950360311.db2.gz ZWAVLRDCYVXTSU-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574744606 950360328 /nfs/dbraw/zinc/36/03/28/950360328.db2.gz ZWAVLRDCYVXTSU-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574989416 950361879 /nfs/dbraw/zinc/36/18/79/950361879.db2.gz ZCWGBKKPIVBLGE-CYZMBNFOSA-N -1 3 397.443 0.309 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574989416 950361901 /nfs/dbraw/zinc/36/19/01/950361901.db2.gz ZCWGBKKPIVBLGE-CYZMBNFOSA-N -1 3 397.443 0.309 20 0 GCADHM CC(C)(C)NC(=O)CN1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573855219 950363669 /nfs/dbraw/zinc/36/36/69/950363669.db2.gz MCDWGUIBUWAVPV-CYBMUJFWSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574502235 950365844 /nfs/dbraw/zinc/36/58/44/950365844.db2.gz KWRNNZSYMAYEAJ-GFCCVEGCSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574502235 950365865 /nfs/dbraw/zinc/36/58/65/950365865.db2.gz KWRNNZSYMAYEAJ-GFCCVEGCSA-N -1 3 382.428 0.836 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574989443 950368021 /nfs/dbraw/zinc/36/80/21/950368021.db2.gz ZHHXHZJSWJOAPE-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574989443 950368039 /nfs/dbraw/zinc/36/80/39/950368039.db2.gz ZHHXHZJSWJOAPE-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cncnc1 ZINC001574989490 950368436 /nfs/dbraw/zinc/36/84/36/950368436.db2.gz ZUNYZTYWMDQTKK-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cncnc1 ZINC001574989490 950368460 /nfs/dbraw/zinc/36/84/60/950368460.db2.gz ZUNYZTYWMDQTKK-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574162075 950373546 /nfs/dbraw/zinc/37/35/46/950373546.db2.gz YUMOMPSIZSXNRT-OLZOCXBDSA-N -1 3 386.460 0.683 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574162075 950373572 /nfs/dbraw/zinc/37/35/72/950373572.db2.gz YUMOMPSIZSXNRT-OLZOCXBDSA-N -1 3 386.460 0.683 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1=O ZINC001573855390 950374309 /nfs/dbraw/zinc/37/43/09/950374309.db2.gz SMSJESGUXVFRFO-OCCSQVGLSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)c1cc(Cl)c(=O)[nH]n1 ZINC001574990649 950377243 /nfs/dbraw/zinc/37/72/43/950377243.db2.gz DXVAOAKSTHPCKY-SSDOTTSWSA-N -1 3 377.796 0.599 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)c1cc(Cl)c(=O)[nH]n1 ZINC001574990649 950377262 /nfs/dbraw/zinc/37/72/62/950377262.db2.gz DXVAOAKSTHPCKY-SSDOTTSWSA-N -1 3 377.796 0.599 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ncccc1-c1nnn[n-]1 ZINC001574745384 950379824 /nfs/dbraw/zinc/37/98/24/950379824.db2.gz IXEFAHKYHFGDNL-NSHDSACASA-N -1 3 385.432 0.884 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ncccc1-c1nn[n-]n1 ZINC001574745384 950379846 /nfs/dbraw/zinc/37/98/46/950379846.db2.gz IXEFAHKYHFGDNL-NSHDSACASA-N -1 3 385.432 0.884 20 0 GCADHM CC(C)(C)NC(=O)CN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001573855512 950379823 /nfs/dbraw/zinc/37/98/23/950379823.db2.gz WNWVNNLVBQSHJS-BXUZGUMPSA-N -1 3 386.460 0.256 20 0 GCADHM CC(C)(C)NC(=O)CN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573855512 950379845 /nfs/dbraw/zinc/37/98/45/950379845.db2.gz WNWVNNLVBQSHJS-BXUZGUMPSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575596730 950384825 /nfs/dbraw/zinc/38/48/25/950384825.db2.gz HSXBERBCLUESGT-FTLABTOESA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575596730 950384844 /nfs/dbraw/zinc/38/48/44/950384844.db2.gz HSXBERBCLUESGT-FTLABTOESA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)N[C@H](C)c1nnnn1C1CC1 ZINC001574745725 950387568 /nfs/dbraw/zinc/38/75/68/950387568.db2.gz JSXIUMYWWYHSPL-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)N[C@H](C)c1nnnn1C1CC1 ZINC001574745725 950387589 /nfs/dbraw/zinc/38/75/89/950387589.db2.gz JSXIUMYWWYHSPL-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC001575596907 950390951 /nfs/dbraw/zinc/39/09/51/950390951.db2.gz WAZCVMQXLLOMSI-LPHOPBHVSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001575596907 950390961 /nfs/dbraw/zinc/39/09/61/950390961.db2.gz WAZCVMQXLLOMSI-LPHOPBHVSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nnn[n-]3)cc2)CCOC1 ZINC001575596909 950392906 /nfs/dbraw/zinc/39/29/06/950392906.db2.gz WAZCVMQXLLOMSI-QFBILLFUSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2COCCN2Cc2ccc(-c3nn[n-]n3)cc2)CCOC1 ZINC001575596909 950392927 /nfs/dbraw/zinc/39/29/27/950392927.db2.gz WAZCVMQXLLOMSI-QFBILLFUSA-N -1 3 386.456 0.610 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)NC(N)=O ZINC001574503019 950393763 /nfs/dbraw/zinc/39/37/63/950393763.db2.gz SFBYJKOGUPXGLM-JTQLQIEISA-N -1 3 390.423 0.001 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)NC(N)=O ZINC001574503019 950393787 /nfs/dbraw/zinc/39/37/87/950393787.db2.gz SFBYJKOGUPXGLM-JTQLQIEISA-N -1 3 390.423 0.001 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nnn(C(C)(C)C)n1 ZINC001574746318 950396748 /nfs/dbraw/zinc/39/67/48/950396748.db2.gz NLQTVLKXAIBGBK-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nnn(C(C)(C)C)n1 ZINC001574746318 950396768 /nfs/dbraw/zinc/39/67/68/950396768.db2.gz NLQTVLKXAIBGBK-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCn1cc(Cl)cn1 ZINC001574991476 950401940 /nfs/dbraw/zinc/40/19/40/950401940.db2.gz MINAYJPNPWUOTG-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCn1cc(Cl)cn1 ZINC001574991476 950401950 /nfs/dbraw/zinc/40/19/50/950401950.db2.gz MINAYJPNPWUOTG-SECBINFHSA-N -1 3 391.823 0.370 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573857114 950404558 /nfs/dbraw/zinc/40/45/58/950404558.db2.gz OIJYBQYNIBCJFF-KGLIPLIRSA-N -1 3 388.428 0.506 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573857114 950404588 /nfs/dbraw/zinc/40/45/88/950404588.db2.gz OIJYBQYNIBCJFF-KGLIPLIRSA-N -1 3 388.428 0.506 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001574503452 950410508 /nfs/dbraw/zinc/41/05/08/950410508.db2.gz WLICTIRIFNNAOK-FZMZJTMJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001574503452 950410520 /nfs/dbraw/zinc/41/05/20/950410520.db2.gz WLICTIRIFNNAOK-FZMZJTMJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C1Cc2ccccc2C1 ZINC001574991576 950411659 /nfs/dbraw/zinc/41/16/59/950411659.db2.gz OOXNIXOLYCQJCI-LLVKDONJSA-N -1 3 379.424 0.844 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C1Cc2ccccc2C1 ZINC001574991576 950411663 /nfs/dbraw/zinc/41/16/63/950411663.db2.gz OOXNIXOLYCQJCI-LLVKDONJSA-N -1 3 379.424 0.844 20 0 GCADHM C[C@@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575910128 950411836 /nfs/dbraw/zinc/41/18/36/950411836.db2.gz KAZVEVGZSBFYOC-KOLCDFICSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@@H]1[C@@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575910128 950411842 /nfs/dbraw/zinc/41/18/42/950411842.db2.gz KAZVEVGZSBFYOC-KOLCDFICSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)NC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574503625 950412445 /nfs/dbraw/zinc/41/24/45/950412445.db2.gz XWMCLWBJKNHSJE-IUCAKERBSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)NC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574503625 950412459 /nfs/dbraw/zinc/41/24/59/950412459.db2.gz XWMCLWBJKNHSJE-IUCAKERBSA-N -1 3 379.400 0.154 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574991640 950413888 /nfs/dbraw/zinc/41/38/88/950413888.db2.gz QCVVWBONOGGNHD-NEPJUHHUSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574991640 950413897 /nfs/dbraw/zinc/41/38/97/950413897.db2.gz QCVVWBONOGGNHD-NEPJUHHUSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nnnn1C(C)(C)C ZINC001574991631 950414910 /nfs/dbraw/zinc/41/49/10/950414910.db2.gz PVAMRURFBFJFSF-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nnnn1C(C)(C)C ZINC001574991631 950414927 /nfs/dbraw/zinc/41/49/27/950414927.db2.gz PVAMRURFBFJFSF-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574503708 950417653 /nfs/dbraw/zinc/41/76/53/950417653.db2.gz YWSYQNXZCHGWKM-NWDGAFQWSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574503708 950417669 /nfs/dbraw/zinc/41/76/69/950417669.db2.gz YWSYQNXZCHGWKM-NWDGAFQWSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574991642 950418765 /nfs/dbraw/zinc/41/87/65/950418765.db2.gz QCVVWBONOGGNHD-RYUDHWBXSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574991642 950418780 /nfs/dbraw/zinc/41/87/80/950418780.db2.gz QCVVWBONOGGNHD-RYUDHWBXSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574503709 950418927 /nfs/dbraw/zinc/41/89/27/950418927.db2.gz YWSYQNXZCHGWKM-RYUDHWBXSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574503709 950418935 /nfs/dbraw/zinc/41/89/35/950418935.db2.gz YWSYQNXZCHGWKM-RYUDHWBXSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574991835 950420776 /nfs/dbraw/zinc/42/07/76/950420776.db2.gz SJQPCYWWKJTECP-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574991835 950420788 /nfs/dbraw/zinc/42/07/88/950420788.db2.gz SJQPCYWWKJTECP-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001573860368 950420973 /nfs/dbraw/zinc/42/09/73/950420973.db2.gz HRITUVVAIBFVDL-LBPRGKRZSA-N -1 3 377.405 0.154 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001573860368 950420988 /nfs/dbraw/zinc/42/09/88/950420988.db2.gz HRITUVVAIBFVDL-LBPRGKRZSA-N -1 3 377.405 0.154 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574991834 950422113 /nfs/dbraw/zinc/42/21/13/950422113.db2.gz SJQPCYWWKJTECP-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574991834 950422128 /nfs/dbraw/zinc/42/21/28/950422128.db2.gz SJQPCYWWKJTECP-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574503965 950423373 /nfs/dbraw/zinc/42/33/73/950423373.db2.gz YYOQJRMNLWULKH-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574503965 950423384 /nfs/dbraw/zinc/42/33/84/950423384.db2.gz YYOQJRMNLWULKH-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575597866 950424617 /nfs/dbraw/zinc/42/46/17/950424617.db2.gz YHGVDVCZRRRNMJ-PZROIBLQSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575597866 950424629 /nfs/dbraw/zinc/42/46/29/950424629.db2.gz YHGVDVCZRRRNMJ-PZROIBLQSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001574750514 950429888 /nfs/dbraw/zinc/42/98/88/950429888.db2.gz BMTTWJZWMPLBNI-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001574750514 950429894 /nfs/dbraw/zinc/42/98/94/950429894.db2.gz BMTTWJZWMPLBNI-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574992076 950431389 /nfs/dbraw/zinc/43/13/89/950431389.db2.gz WUSDOCZLXKPROU-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)Oc1ccccc1 ZINC001574992076 950431406 /nfs/dbraw/zinc/43/14/06/950431406.db2.gz WUSDOCZLXKPROU-NEPJUHHUSA-N -1 3 383.412 0.897 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cncnc1C1CC1 ZINC001574992365 950440853 /nfs/dbraw/zinc/44/08/53/950440853.db2.gz AWCVONGPQLFEGO-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cncnc1C1CC1 ZINC001574992365 950440867 /nfs/dbraw/zinc/44/08/67/950440867.db2.gz AWCVONGPQLFEGO-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM CC1CCN(CC(=O)N[C@@]2(C)CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001576203273 950442785 /nfs/dbraw/zinc/44/27/85/950442785.db2.gz GDZHHTJVTQXYBR-SFHVURJKSA-N -1 3 385.476 0.474 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cncnc1C1CC1 ZINC001574992366 950443284 /nfs/dbraw/zinc/44/32/84/950443284.db2.gz AWCVONGPQLFEGO-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cncnc1C1CC1 ZINC001574992366 950443298 /nfs/dbraw/zinc/44/32/98/950443298.db2.gz AWCVONGPQLFEGO-VIFPVBQESA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574506821 950445048 /nfs/dbraw/zinc/44/50/48/950445048.db2.gz GLPUBOLAWSMWHL-RWMBFGLXSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574506821 950445065 /nfs/dbraw/zinc/44/50/65/950445065.db2.gz GLPUBOLAWSMWHL-RWMBFGLXSA-N -1 3 382.432 0.811 20 0 GCADHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573861349 950451405 /nfs/dbraw/zinc/45/14/05/950451405.db2.gz ZPROZTAYGLFBLX-QGZVFWFLSA-N -1 3 391.432 0.687 20 0 GCADHM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573861349 950451418 /nfs/dbraw/zinc/45/14/18/950451418.db2.gz ZPROZTAYGLFBLX-QGZVFWFLSA-N -1 3 391.432 0.687 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCCCO1 ZINC001574751282 950455835 /nfs/dbraw/zinc/45/58/35/950455835.db2.gz MSQDAROKOZOGLD-RYUDHWBXSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCCCO1 ZINC001574751282 950455854 /nfs/dbraw/zinc/45/58/54/950455854.db2.gz MSQDAROKOZOGLD-RYUDHWBXSA-N -1 3 375.433 0.731 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575605317 950458824 /nfs/dbraw/zinc/45/88/24/950458824.db2.gz GSSHLMHSBXHKSB-BJHJDKERSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575605317 950458835 /nfs/dbraw/zinc/45/88/35/950458835.db2.gz GSSHLMHSBXHKSB-BJHJDKERSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574992998 950459555 /nfs/dbraw/zinc/45/95/55/950459555.db2.gz IBMPXEAOMIPKGI-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn2c(n1)CCCC2 ZINC001574992998 950459574 /nfs/dbraw/zinc/45/95/74/950459574.db2.gz IBMPXEAOMIPKGI-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575605510 950466303 /nfs/dbraw/zinc/46/63/03/950466303.db2.gz JUHVANZBKCPMQX-IUUKEHGRSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575605510 950466319 /nfs/dbraw/zinc/46/63/19/950466319.db2.gz JUHVANZBKCPMQX-IUUKEHGRSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C2CC2)nn1C ZINC001574993862 950466986 /nfs/dbraw/zinc/46/69/86/950466986.db2.gz MRWZAFQAVGIVFF-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C2CC2)nn1C ZINC001574993862 950466996 /nfs/dbraw/zinc/46/69/96/950466996.db2.gz MRWZAFQAVGIVFF-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM CC1CCN(CC(=O)N[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)CC1 ZINC001576204650 950468645 /nfs/dbraw/zinc/46/86/45/950468645.db2.gz QXICBZSKMXAENO-CQSZACIVSA-N -1 3 385.476 0.695 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001575913022 950471918 /nfs/dbraw/zinc/47/19/18/950471918.db2.gz SOOHDGGCIILTEF-NWDGAFQWSA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001573862653 950473801 /nfs/dbraw/zinc/47/38/01/950473801.db2.gz ZSJCNZZYAMTOSX-ZIAGYGMSSA-N -1 3 388.428 0.336 20 0 GCADHM CC(C)(C)OC(=O)N[C@H](CO)C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001573862653 950473812 /nfs/dbraw/zinc/47/38/12/950473812.db2.gz ZSJCNZZYAMTOSX-ZIAGYGMSSA-N -1 3 388.428 0.336 20 0 GCADHM C[C@@H]1[C@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575913006 950474240 /nfs/dbraw/zinc/47/42/40/950474240.db2.gz SMZPWPZQTPIOOD-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575913006 950474255 /nfs/dbraw/zinc/47/42/55/950474255.db2.gz SMZPWPZQTPIOOD-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)CCCCC1 ZINC001575605685 950476448 /nfs/dbraw/zinc/47/64/48/950476448.db2.gz TXUGKVKNERPGQL-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)CCCCC1 ZINC001575605685 950476468 /nfs/dbraw/zinc/47/64/68/950476468.db2.gz TXUGKVKNERPGQL-ZIAGYGMSSA-N -1 3 387.444 0.467 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001574166721 950476548 /nfs/dbraw/zinc/47/65/48/950476548.db2.gz WRIXMIQMQGLWKQ-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001574166721 950476564 /nfs/dbraw/zinc/47/65/64/950476564.db2.gz WRIXMIQMQGLWKQ-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001574166783 950478198 /nfs/dbraw/zinc/47/81/98/950478198.db2.gz ZELJASVCVQNOAI-LBPRGKRZSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001574166783 950478215 /nfs/dbraw/zinc/47/82/15/950478215.db2.gz ZELJASVCVQNOAI-LBPRGKRZSA-N -1 3 389.460 0.618 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575605725 950478915 /nfs/dbraw/zinc/47/89/15/950478915.db2.gz PXDTYKATWLMAAL-UGSOOPFHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575605725 950478926 /nfs/dbraw/zinc/47/89/26/950478926.db2.gz PXDTYKATWLMAAL-UGSOOPFHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575605758 950480414 /nfs/dbraw/zinc/48/04/14/950480414.db2.gz SHNKXXLSFKWLID-LXIYXOSZSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575605758 950480431 /nfs/dbraw/zinc/48/04/31/950480431.db2.gz SHNKXXLSFKWLID-LXIYXOSZSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncc2ccccn21 ZINC001574994425 950481466 /nfs/dbraw/zinc/48/14/66/950481466.db2.gz QNFVLDCJEVQABE-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncc2ccccn21 ZINC001574994425 950481483 /nfs/dbraw/zinc/48/14/83/950481483.db2.gz QNFVLDCJEVQABE-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H]1[C@H](NCc2ncnn2CCF)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575913683 950484404 /nfs/dbraw/zinc/48/44/04/950484404.db2.gz SVKGJXQNQAZSND-WDEREUQCSA-N -1 3 388.411 0.149 20 0 GCADHM C[C@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575913862 950485114 /nfs/dbraw/zinc/48/51/14/950485114.db2.gz ULJBZPCITRLRQK-VHSXEESVSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575913862 950485131 /nfs/dbraw/zinc/48/51/31/950485131.db2.gz ULJBZPCITRLRQK-VHSXEESVSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574508841 950486581 /nfs/dbraw/zinc/48/65/81/950486581.db2.gz PIEPMLMJNYHLMM-GRYCIOLGSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574508841 950486592 /nfs/dbraw/zinc/48/65/92/950486592.db2.gz PIEPMLMJNYHLMM-GRYCIOLGSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575913858 950487555 /nfs/dbraw/zinc/48/75/55/950487555.db2.gz JYGXDTKUBURFAB-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575913858 950487571 /nfs/dbraw/zinc/48/75/71/950487571.db2.gz JYGXDTKUBURFAB-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H](C)n1cccn1 ZINC001574508948 950490104 /nfs/dbraw/zinc/49/01/04/950490104.db2.gz RDRBIDGMRUXROI-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H](C)n1cccn1 ZINC001574508948 950490128 /nfs/dbraw/zinc/49/01/28/950490128.db2.gz RDRBIDGMRUXROI-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575913898 950491100 /nfs/dbraw/zinc/49/11/00/950491100.db2.gz KEAYCDGALCLCLI-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575913898 950491113 /nfs/dbraw/zinc/49/11/13/950491113.db2.gz KEAYCDGALCLCLI-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOC1 ZINC001575605951 950491437 /nfs/dbraw/zinc/49/14/37/950491437.db2.gz XNLIISXPNDDTIH-PZROIBLQSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOC1 ZINC001575605951 950491453 /nfs/dbraw/zinc/49/14/53/950491453.db2.gz XNLIISXPNDDTIH-PZROIBLQSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001574994708 950493523 /nfs/dbraw/zinc/49/35/23/950493523.db2.gz XORAFWVQIMIWPZ-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001574994708 950493533 /nfs/dbraw/zinc/49/35/33/950493533.db2.gz XORAFWVQIMIWPZ-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574994880 950497084 /nfs/dbraw/zinc/49/70/84/950497084.db2.gz AWZHOKRKCNUPQL-MRVPVSSYSA-N -1 3 389.807 0.239 20 0 GCADHM C[C@H](CNC(=O)c1cc(=O)n(C)cn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574994880 950497098 /nfs/dbraw/zinc/49/70/98/950497098.db2.gz AWZHOKRKCNUPQL-MRVPVSSYSA-N -1 3 389.807 0.239 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn2c(n1)CCC2 ZINC001574752814 950498541 /nfs/dbraw/zinc/49/85/41/950498541.db2.gz AOQOUFYTNGRKJK-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn2c(n1)CCC2 ZINC001574752814 950498551 /nfs/dbraw/zinc/49/85/51/950498551.db2.gz AOQOUFYTNGRKJK-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575606997 950499694 /nfs/dbraw/zinc/49/96/94/950499694.db2.gz DXNKDPDSSYRWAP-OHUAYANFSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575606997 950499707 /nfs/dbraw/zinc/49/97/07/950499707.db2.gz DXNKDPDSSYRWAP-OHUAYANFSA-N -1 3 391.457 0.288 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573866511 950505887 /nfs/dbraw/zinc/50/58/87/950505887.db2.gz FNEODDYMHUAWPR-GFCCVEGCSA-N -1 3 375.433 0.716 20 0 GCADHM CC(C)(C)OCC(=O)N1CCO[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573866511 950505909 /nfs/dbraw/zinc/50/59/09/950505909.db2.gz FNEODDYMHUAWPR-GFCCVEGCSA-N -1 3 375.433 0.716 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573866563 950507123 /nfs/dbraw/zinc/50/71/23/950507123.db2.gz HUAPLFSZOZJDDW-UHFFFAOYSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573866563 950507145 /nfs/dbraw/zinc/50/71/45/950507145.db2.gz HUAPLFSZOZJDDW-UHFFFAOYSA-N -1 3 389.460 0.842 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574995365 950507088 /nfs/dbraw/zinc/50/70/88/950507088.db2.gz ZBNZTRHKMBRABX-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574995365 950507101 /nfs/dbraw/zinc/50/71/01/950507101.db2.gz ZBNZTRHKMBRABX-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CCNC(=O)C1 ZINC001575607557 950509484 /nfs/dbraw/zinc/50/94/84/950509484.db2.gz JDMAORQRJBZEGA-VGTOOOLASA-N -1 3 388.407 0.376 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CCNC(=O)C1 ZINC001575607557 950509501 /nfs/dbraw/zinc/50/95/01/950509501.db2.gz JDMAORQRJBZEGA-VGTOOOLASA-N -1 3 388.407 0.376 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)n1ccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574509336 950511023 /nfs/dbraw/zinc/51/10/23/950511023.db2.gz RALNSFPBLFAPPU-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)n1ccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574509336 950511046 /nfs/dbraw/zinc/51/10/46/950511046.db2.gz RALNSFPBLFAPPU-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575608054 950514309 /nfs/dbraw/zinc/51/43/09/950514309.db2.gz MOZKEPGNKXEYEH-OZVIIMIRSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575608054 950514329 /nfs/dbraw/zinc/51/43/29/950514329.db2.gz MOZKEPGNKXEYEH-OZVIIMIRSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cncs1 ZINC001574753175 950514317 /nfs/dbraw/zinc/51/43/17/950514317.db2.gz DAWVMRXEEAMAQA-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cncs1 ZINC001574753175 950514340 /nfs/dbraw/zinc/51/43/40/950514340.db2.gz DAWVMRXEEAMAQA-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574753304 950519290 /nfs/dbraw/zinc/51/92/90/950519290.db2.gz KTFIBNDGVSVPBR-QMMMGPOBSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574753304 950519307 /nfs/dbraw/zinc/51/93/07/950519307.db2.gz KTFIBNDGVSVPBR-QMMMGPOBSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574996030 950520917 /nfs/dbraw/zinc/52/09/17/950520917.db2.gz JXOXIQBELYQFNC-MRVPVSSYSA-N -1 3 382.388 0.260 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573867268 950522641 /nfs/dbraw/zinc/52/26/41/950522641.db2.gz SPWLSRZITNHQPV-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573867268 950522659 /nfs/dbraw/zinc/52/26/59/950522659.db2.gz SPWLSRZITNHQPV-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCN(CC(=O)N[C@](C)(CNc2ccnc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576205496 950523556 /nfs/dbraw/zinc/52/35/56/950523556.db2.gz ZERAYMIEJTYUJL-KZULUSFZSA-N -1 3 385.476 0.117 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573867267 950524181 /nfs/dbraw/zinc/52/41/81/950524181.db2.gz SPWLSRZITNHQPV-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573867267 950524196 /nfs/dbraw/zinc/52/41/96/950524196.db2.gz SPWLSRZITNHQPV-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575614399 950530070 /nfs/dbraw/zinc/53/00/70/950530070.db2.gz ASTQNJGXCRSXQL-MCTLKSGKSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575614399 950530083 /nfs/dbraw/zinc/53/00/83/950530083.db2.gz ASTQNJGXCRSXQL-MCTLKSGKSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575614418 950530673 /nfs/dbraw/zinc/53/06/73/950530673.db2.gz BOWPCQVDCWKPLC-QSUJAYFNSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575614418 950530689 /nfs/dbraw/zinc/53/06/89/950530689.db2.gz BOWPCQVDCWKPLC-QSUJAYFNSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nnc(C(F)F)s1 ZINC001574996731 950536049 /nfs/dbraw/zinc/53/60/49/950536049.db2.gz PCKSJOFHVSXAGK-ZCFIWIBFSA-N -1 3 383.388 0.892 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nnc(C(F)F)s1 ZINC001574996731 950536059 /nfs/dbraw/zinc/53/60/59/950536059.db2.gz PCKSJOFHVSXAGK-ZCFIWIBFSA-N -1 3 383.388 0.892 20 0 GCADHM C[C@@H]1[C@H](NCc2ncnn2CCF)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916446 950538645 /nfs/dbraw/zinc/53/86/45/950538645.db2.gz ZUZGKOMLYSDUKH-ZYHUDNBSSA-N -1 3 388.411 0.149 20 0 GCADHM C[C@@H]1[C@H](NCc2ncnn2CCF)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916446 950538659 /nfs/dbraw/zinc/53/86/59/950538659.db2.gz ZUZGKOMLYSDUKH-ZYHUDNBSSA-N -1 3 388.411 0.149 20 0 GCADHM C[C@H](CC(=O)NCCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574510014 950539144 /nfs/dbraw/zinc/53/91/44/950539144.db2.gz YFEGTBDARUHGIJ-SNVBAGLBSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@H](CC(=O)NCCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574510014 950539165 /nfs/dbraw/zinc/53/91/65/950539165.db2.gz YFEGTBDARUHGIJ-SNVBAGLBSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574753783 950542180 /nfs/dbraw/zinc/54/21/80/950542180.db2.gz SCEGVBPIFKGKKR-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574753783 950542198 /nfs/dbraw/zinc/54/21/98/950542198.db2.gz SCEGVBPIFKGKKR-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574753847 950546379 /nfs/dbraw/zinc/54/63/79/950546379.db2.gz UFWLCHFPGGTESG-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574753847 950546399 /nfs/dbraw/zinc/54/63/99/950546399.db2.gz UFWLCHFPGGTESG-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574997754 950553539 /nfs/dbraw/zinc/55/35/39/950553539.db2.gz YBVMSLNZPREXBI-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574997754 950553563 /nfs/dbraw/zinc/55/35/63/950553563.db2.gz YBVMSLNZPREXBI-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001573869124 950555991 /nfs/dbraw/zinc/55/59/91/950555991.db2.gz KTPPLTYSAMYDNM-GXTWGEPZSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001573869124 950556005 /nfs/dbraw/zinc/55/60/05/950556005.db2.gz KTPPLTYSAMYDNM-GXTWGEPZSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001573869126 950557003 /nfs/dbraw/zinc/55/70/03/950557003.db2.gz KTPPLTYSAMYDNM-OCCSQVGLSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001573869126 950557025 /nfs/dbraw/zinc/55/70/25/950557025.db2.gz KTPPLTYSAMYDNM-OCCSQVGLSA-N -1 3 375.433 0.133 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575917050 950560227 /nfs/dbraw/zinc/56/02/27/950560227.db2.gz URDQXJQUTCBYGP-JQWIXIFHSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc2n(n1)CCO2 ZINC001575917050 950560246 /nfs/dbraw/zinc/56/02/46/950560246.db2.gz URDQXJQUTCBYGP-JQWIXIFHSA-N -1 3 381.400 0.566 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917180 950561398 /nfs/dbraw/zinc/56/13/98/950561398.db2.gz VADISOUEQRYVRA-CMPLNLGQSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917180 950561406 /nfs/dbraw/zinc/56/14/06/950561406.db2.gz VADISOUEQRYVRA-CMPLNLGQSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575917331 950567278 /nfs/dbraw/zinc/56/72/78/950567278.db2.gz WMXRHVVKRRJZFU-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575917331 950567291 /nfs/dbraw/zinc/56/72/91/950567291.db2.gz WMXRHVVKRRJZFU-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)on1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574999033 950569320 /nfs/dbraw/zinc/56/93/20/950569320.db2.gz DLKALZXJBSMRHM-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1cc(C2CC2)on1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574999033 950569340 /nfs/dbraw/zinc/56/93/40/950569340.db2.gz DLKALZXJBSMRHM-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574754558 950573380 /nfs/dbraw/zinc/57/33/80/950573380.db2.gz MQOWQVNFOWQQJX-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574754558 950573394 /nfs/dbraw/zinc/57/33/94/950573394.db2.gz MQOWQVNFOWQQJX-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917453 950574438 /nfs/dbraw/zinc/57/44/38/950574438.db2.gz YCJPMOVBTSFZER-AAEUAGOBSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917453 950574454 /nfs/dbraw/zinc/57/44/54/950574454.db2.gz YCJPMOVBTSFZER-AAEUAGOBSA-N -1 3 380.412 0.676 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573869779 950575386 /nfs/dbraw/zinc/57/53/86/950575386.db2.gz CTSFLWYBPAPWGG-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573869779 950575404 /nfs/dbraw/zinc/57/54/04/950575404.db2.gz CTSFLWYBPAPWGG-NSHDSACASA-N -1 3 375.433 0.731 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575615773 950576446 /nfs/dbraw/zinc/57/64/46/950576446.db2.gz HBTJUMMVIJUDLH-NSHDSACASA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575615773 950576478 /nfs/dbraw/zinc/57/64/78/950576478.db2.gz HBTJUMMVIJUDLH-NSHDSACASA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917456 950578535 /nfs/dbraw/zinc/57/85/35/950578535.db2.gz YCJPMOVBTSFZER-YPMHNXCESA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cccc(=O)n1C ZINC001575917456 950578544 /nfs/dbraw/zinc/57/85/44/950578544.db2.gz YCJPMOVBTSFZER-YPMHNXCESA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574999449 950579743 /nfs/dbraw/zinc/57/97/43/950579743.db2.gz KCUUEGGFFFTRIL-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574999449 950579762 /nfs/dbraw/zinc/57/97/62/950579762.db2.gz KCUUEGGFFFTRIL-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574754731 950582182 /nfs/dbraw/zinc/58/21/82/950582182.db2.gz OVUAVTZXAVNNGB-QMHNFZFOSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574754731 950582196 /nfs/dbraw/zinc/58/21/96/950582196.db2.gz OVUAVTZXAVNNGB-QMHNFZFOSA-N -1 3 385.428 0.195 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574172847 950583975 /nfs/dbraw/zinc/58/39/75/950583975.db2.gz CFIHTODIHRVEKJ-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574172847 950583987 /nfs/dbraw/zinc/58/39/87/950583987.db2.gz CFIHTODIHRVEKJ-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917594 950584711 /nfs/dbraw/zinc/58/47/11/950584711.db2.gz ZSPLMAGHRDAPQH-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC001575917594 950584723 /nfs/dbraw/zinc/58/47/23/950584723.db2.gz ZSPLMAGHRDAPQH-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574172846 950585313 /nfs/dbraw/zinc/58/53/13/950585313.db2.gz CFIHTODIHRVEKJ-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574172846 950585326 /nfs/dbraw/zinc/58/53/26/950585326.db2.gz CFIHTODIHRVEKJ-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C)C(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1(C)C ZINC001575616510 950585492 /nfs/dbraw/zinc/58/54/92/950585492.db2.gz QIWUBMIJWNKKPQ-UHFFFAOYSA-N -1 3 389.460 0.428 20 0 GCADHM CC1(C)C(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1(C)C ZINC001575616510 950585504 /nfs/dbraw/zinc/58/55/04/950585504.db2.gz QIWUBMIJWNKKPQ-UHFFFAOYSA-N -1 3 389.460 0.428 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575616218 950586777 /nfs/dbraw/zinc/58/67/77/950586777.db2.gz NXYCUEMJHSDZTF-LLVKDONJSA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575616218 950586793 /nfs/dbraw/zinc/58/67/93/950586793.db2.gz NXYCUEMJHSDZTF-LLVKDONJSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)Nc1cc(Cl)c(=O)[nH]n1 ZINC001574755299 950590119 /nfs/dbraw/zinc/59/01/19/950590119.db2.gz UBAHBHFVDUXRLJ-ZETCQYMHSA-N -1 3 377.796 0.916 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)Nc1cc(Cl)c(=O)[nH]n1 ZINC001574755299 950590137 /nfs/dbraw/zinc/59/01/37/950590137.db2.gz UBAHBHFVDUXRLJ-ZETCQYMHSA-N -1 3 377.796 0.916 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573870417 950592395 /nfs/dbraw/zinc/59/23/95/950592395.db2.gz VZFKDNIHXQRRFO-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573870417 950592408 /nfs/dbraw/zinc/59/24/08/950592408.db2.gz VZFKDNIHXQRRFO-GFCCVEGCSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C)n1ccnc1 ZINC001574513002 950593093 /nfs/dbraw/zinc/59/30/93/950593093.db2.gz GDEACBGSAOWHJA-UPJWGTAASA-N -1 3 397.443 0.762 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C)n1ccnc1 ZINC001574513002 950593108 /nfs/dbraw/zinc/59/31/08/950593108.db2.gz GDEACBGSAOWHJA-UPJWGTAASA-N -1 3 397.443 0.762 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575000032 950593791 /nfs/dbraw/zinc/59/37/91/950593791.db2.gz OJPNAXOSQAXJMW-SECBINFHSA-N -1 3 386.441 0.900 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575000032 950593811 /nfs/dbraw/zinc/59/38/11/950593811.db2.gz OJPNAXOSQAXJMW-SECBINFHSA-N -1 3 386.441 0.900 20 0 GCADHM CC(C)(C)OCC(=O)NCCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573870532 950595895 /nfs/dbraw/zinc/59/58/95/950595895.db2.gz HNQNAMOHYWARAS-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)NCCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573870532 950595911 /nfs/dbraw/zinc/59/59/11/950595911.db2.gz HNQNAMOHYWARAS-UHFFFAOYSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc(C2CC2)o1 ZINC001574755750 950596641 /nfs/dbraw/zinc/59/66/41/950596641.db2.gz VFDOGVMQYVUCFG-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc(C2CC2)o1 ZINC001574755750 950596654 /nfs/dbraw/zinc/59/66/54/950596654.db2.gz VFDOGVMQYVUCFG-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001574755798 950600388 /nfs/dbraw/zinc/60/03/88/950600388.db2.gz WESZXHGAMGIIMN-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001574755798 950600400 /nfs/dbraw/zinc/60/04/00/950600400.db2.gz WESZXHGAMGIIMN-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM CC1(C)C(C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1(C)C ZINC001575617326 950600440 /nfs/dbraw/zinc/60/04/40/950600440.db2.gz AMJFHLYOMVJMIC-UHFFFAOYSA-N -1 3 387.444 0.180 20 0 GCADHM CC1(C)C(C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1(C)C ZINC001575617326 950600455 /nfs/dbraw/zinc/60/04/55/950600455.db2.gz AMJFHLYOMVJMIC-UHFFFAOYSA-N -1 3 387.444 0.180 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1(C)C ZINC001575617528 950602663 /nfs/dbraw/zinc/60/26/63/950602663.db2.gz CFVNPEGNOHEZJT-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1(C)C ZINC001575617528 950602674 /nfs/dbraw/zinc/60/26/74/950602674.db2.gz CFVNPEGNOHEZJT-SNVBAGLBSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)CCC(=O)N1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574173694 950604223 /nfs/dbraw/zinc/60/42/23/950604223.db2.gz LLOJSYMAKVJEMY-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)CCC(=O)N1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574173694 950604235 /nfs/dbraw/zinc/60/42/35/950604235.db2.gz LLOJSYMAKVJEMY-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001576208071 950605702 /nfs/dbraw/zinc/60/57/02/950605702.db2.gz MCVJJROOQSRAAB-UKRRQHHQSA-N -1 3 385.476 0.330 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ncccc1-c1nnn[n-]1 ZINC001575000616 950606733 /nfs/dbraw/zinc/60/67/33/950606733.db2.gz QUPPFNOFMABSNZ-SECBINFHSA-N -1 3 386.441 0.900 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)CNc1ncccc1-c1nn[n-]n1 ZINC001575000616 950606740 /nfs/dbraw/zinc/60/67/40/950606740.db2.gz QUPPFNOFMABSNZ-SECBINFHSA-N -1 3 386.441 0.900 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573871531 950617391 /nfs/dbraw/zinc/61/73/91/950617391.db2.gz RAXDNIDCDWVABP-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573871531 950617411 /nfs/dbraw/zinc/61/74/11/950617411.db2.gz RAXDNIDCDWVABP-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM CC1(C)C(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1(C)C ZINC001575619300 950617771 /nfs/dbraw/zinc/61/77/71/950617771.db2.gz OLZTWJTWQNLPGG-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM CC1(C)C(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1(C)C ZINC001575619300 950617793 /nfs/dbraw/zinc/61/77/93/950617793.db2.gz OLZTWJTWQNLPGG-JTQLQIEISA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573871530 950620120 /nfs/dbraw/zinc/62/01/20/950620120.db2.gz RAXDNIDCDWVABP-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573871530 950620130 /nfs/dbraw/zinc/62/01/30/950620130.db2.gz RAXDNIDCDWVABP-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001574513791 950621044 /nfs/dbraw/zinc/62/10/44/950621044.db2.gz ZPJXIOSPBUSTQB-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001574513791 950621061 /nfs/dbraw/zinc/62/10/61/950621061.db2.gz ZPJXIOSPBUSTQB-OCCSQVGLSA-N -1 3 381.444 0.884 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573871718 950623118 /nfs/dbraw/zinc/62/31/18/950623118.db2.gz UKVFNEUHGKXUFB-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573871718 950623132 /nfs/dbraw/zinc/62/31/32/950623132.db2.gz UKVFNEUHGKXUFB-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574515148 950623665 /nfs/dbraw/zinc/62/36/65/950623665.db2.gz AMYLGHYKHLZGIX-RAIGVLPGSA-N -1 3 383.416 0.420 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573871594 950624598 /nfs/dbraw/zinc/62/45/98/950624598.db2.gz SUBAHAIILSDVCP-KLPPZKSPSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573871594 950624610 /nfs/dbraw/zinc/62/46/10/950624610.db2.gz SUBAHAIILSDVCP-KLPPZKSPSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccn(C)c(=O)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574759073 950628056 /nfs/dbraw/zinc/62/80/56/950628056.db2.gz KOPXFARDAUBTGB-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccn(C)c(=O)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574759073 950628070 /nfs/dbraw/zinc/62/80/70/950628070.db2.gz KOPXFARDAUBTGB-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575001196 950628153 /nfs/dbraw/zinc/62/81/53/950628153.db2.gz VEFMOMXENICRJB-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575001196 950628183 /nfs/dbraw/zinc/62/81/83/950628183.db2.gz VEFMOMXENICRJB-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573872023 950631020 /nfs/dbraw/zinc/63/10/20/950631020.db2.gz YLQLHHBFRXPLQB-XYYAHUGASA-N -1 3 387.444 0.444 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573872023 950631028 /nfs/dbraw/zinc/63/10/28/950631028.db2.gz YLQLHHBFRXPLQB-XYYAHUGASA-N -1 3 387.444 0.444 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001573873343 950638990 /nfs/dbraw/zinc/63/89/90/950638990.db2.gz JWHIAGHPBBYEPR-HUUCEWRRSA-N -1 3 392.435 0.482 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573873343 950639009 /nfs/dbraw/zinc/63/90/09/950639009.db2.gz JWHIAGHPBBYEPR-HUUCEWRRSA-N -1 3 392.435 0.482 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575001610 950639747 /nfs/dbraw/zinc/63/97/47/950639747.db2.gz WOXPGZCJKKKEHT-LLVKDONJSA-N -1 3 385.432 0.789 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575001610 950639777 /nfs/dbraw/zinc/63/97/77/950639777.db2.gz WOXPGZCJKKKEHT-LLVKDONJSA-N -1 3 385.432 0.789 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574759585 950642632 /nfs/dbraw/zinc/64/26/32/950642632.db2.gz PBIYUFVJBMOWNI-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574759585 950642643 /nfs/dbraw/zinc/64/26/43/950642643.db2.gz PBIYUFVJBMOWNI-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574517782 950647970 /nfs/dbraw/zinc/64/79/70/950647970.db2.gz MCKLBBSPQWXODC-DRZSPHRISA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574517782 950647984 /nfs/dbraw/zinc/64/79/84/950647984.db2.gz MCKLBBSPQWXODC-DRZSPHRISA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)n1ccnc1 ZINC001574518315 950649178 /nfs/dbraw/zinc/64/91/78/950649178.db2.gz NHVMVNOLASAALA-HVOFVXBASA-N -1 3 379.428 0.660 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)n1ccnc1 ZINC001574518315 950649199 /nfs/dbraw/zinc/64/91/99/950649199.db2.gz NHVMVNOLASAALA-HVOFVXBASA-N -1 3 379.428 0.660 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575002053 950650838 /nfs/dbraw/zinc/65/08/38/950650838.db2.gz YRXYVQLCTIOQHD-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575002053 950650846 /nfs/dbraw/zinc/65/08/46/950650846.db2.gz YRXYVQLCTIOQHD-QMMMGPOBSA-N -1 3 385.363 0.125 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575002113 950650947 /nfs/dbraw/zinc/65/09/47/950650947.db2.gz ZDDAUXFSPQJTHI-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575002113 950650952 /nfs/dbraw/zinc/65/09/52/950650952.db2.gz ZDDAUXFSPQJTHI-ZETCQYMHSA-N -1 3 391.342 0.471 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575002008 950651227 /nfs/dbraw/zinc/65/12/27/950651227.db2.gz YJWNHQYVFROAMM-SECBINFHSA-N -1 3 386.441 0.677 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575002008 950651237 /nfs/dbraw/zinc/65/12/37/950651237.db2.gz YJWNHQYVFROAMM-SECBINFHSA-N -1 3 386.441 0.677 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001573873644 950652403 /nfs/dbraw/zinc/65/24/03/950652403.db2.gz WIEUAJUBZGRDNZ-CABCVRRESA-N -1 3 392.435 0.482 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573873644 950652415 /nfs/dbraw/zinc/65/24/15/950652415.db2.gz WIEUAJUBZGRDNZ-CABCVRRESA-N -1 3 392.435 0.482 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574518681 950654082 /nfs/dbraw/zinc/65/40/82/950654082.db2.gz PNGXTYVNFPBUEZ-DCAQKATOSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574518681 950654094 /nfs/dbraw/zinc/65/40/94/950654094.db2.gz PNGXTYVNFPBUEZ-DCAQKATOSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575002128 950654367 /nfs/dbraw/zinc/65/43/67/950654367.db2.gz ZKXYUGXJNKOYTN-MRVPVSSYSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575002128 950654378 /nfs/dbraw/zinc/65/43/78/950654378.db2.gz ZKXYUGXJNKOYTN-MRVPVSSYSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574518356 950655644 /nfs/dbraw/zinc/65/56/44/950655644.db2.gz OEIUKRZJBNERPZ-IJLUTSLNSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574518356 950655656 /nfs/dbraw/zinc/65/56/56/950655656.db2.gz OEIUKRZJBNERPZ-IJLUTSLNSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574518717 950659399 /nfs/dbraw/zinc/65/93/99/950659399.db2.gz PZNCNCRSDCFABS-IJLUTSLNSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574518717 950659413 /nfs/dbraw/zinc/65/94/13/950659413.db2.gz PZNCNCRSDCFABS-IJLUTSLNSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CC1)NC(N)=O ZINC001574518718 950660567 /nfs/dbraw/zinc/66/05/67/950660567.db2.gz PZNCNCRSDCFABS-SRVKXCTJSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CC1)NC(N)=O ZINC001574518718 950660581 /nfs/dbraw/zinc/66/05/81/950660581.db2.gz PZNCNCRSDCFABS-SRVKXCTJSA-N -1 3 387.448 0.548 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001574519014 950664376 /nfs/dbraw/zinc/66/43/76/950664376.db2.gz SGEJVQPBJJMRMH-NHULGOKLSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001574519014 950664387 /nfs/dbraw/zinc/66/43/87/950664387.db2.gz SGEJVQPBJJMRMH-NHULGOKLSA-N -1 3 387.444 0.777 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001574175859 950665958 /nfs/dbraw/zinc/66/59/58/950665958.db2.gz RQBVDIRINPQPKN-SMDDNHRTSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001574175859 950665982 /nfs/dbraw/zinc/66/59/82/950665982.db2.gz RQBVDIRINPQPKN-SMDDNHRTSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001574175854 950666527 /nfs/dbraw/zinc/66/65/27/950666527.db2.gz RQBVDIRINPQPKN-BXUZGUMPSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001574175854 950666545 /nfs/dbraw/zinc/66/65/45/950666545.db2.gz RQBVDIRINPQPKN-BXUZGUMPSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575002777 950668462 /nfs/dbraw/zinc/66/84/62/950668462.db2.gz WSHFEJUJOQFJOS-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575002777 950668475 /nfs/dbraw/zinc/66/84/75/950668475.db2.gz WSHFEJUJOQFJOS-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cncn1C ZINC001575925082 950682119 /nfs/dbraw/zinc/68/21/19/950682119.db2.gz GIFCVGHCPLWNBT-DGCLKSJQSA-N -1 3 382.432 0.424 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001574176640 950684333 /nfs/dbraw/zinc/68/43/33/950684333.db2.gz XLAJGRQPZJRXAE-UONOGXRCSA-N -1 3 377.424 0.893 20 0 GCADHM CC(C)CCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001574176640 950684349 /nfs/dbraw/zinc/68/43/49/950684349.db2.gz XLAJGRQPZJRXAE-UONOGXRCSA-N -1 3 377.424 0.893 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001574176639 950684384 /nfs/dbraw/zinc/68/43/84/950684384.db2.gz XLAJGRQPZJRXAE-KGLIPLIRSA-N -1 3 377.424 0.893 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001574176639 950684398 /nfs/dbraw/zinc/68/43/98/950684398.db2.gz XLAJGRQPZJRXAE-KGLIPLIRSA-N -1 3 377.424 0.893 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)C1 ZINC001575625615 950692586 /nfs/dbraw/zinc/69/25/86/950692586.db2.gz VIODOYCVTPUDGA-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)C1 ZINC001575625615 950692597 /nfs/dbraw/zinc/69/25/97/950692597.db2.gz VIODOYCVTPUDGA-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575005701 950698490 /nfs/dbraw/zinc/69/84/90/950698490.db2.gz LFDASQFMXVRLSF-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(c1)CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575005701 950698500 /nfs/dbraw/zinc/69/85/00/950698500.db2.gz LFDASQFMXVRLSF-NSHDSACASA-N -1 3 382.428 0.881 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574762204 950703864 /nfs/dbraw/zinc/70/38/64/950703864.db2.gz XECAWDWPTSKTMT-SNVBAGLBSA-N -1 3 384.400 0.455 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574762204 950703879 /nfs/dbraw/zinc/70/38/79/950703879.db2.gz XECAWDWPTSKTMT-SNVBAGLBSA-N -1 3 384.400 0.455 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573878499 950709657 /nfs/dbraw/zinc/70/96/57/950709657.db2.gz QZRQEMDYZCXOEJ-QJPTWQEYSA-N -1 3 377.424 0.972 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573878499 950709665 /nfs/dbraw/zinc/70/96/65/950709665.db2.gz QZRQEMDYZCXOEJ-QJPTWQEYSA-N -1 3 377.424 0.972 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574520066 950711200 /nfs/dbraw/zinc/71/12/00/950711200.db2.gz LAGXTGDVEZIZTQ-GHMZBOCLSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574520066 950711219 /nfs/dbraw/zinc/71/12/19/950711219.db2.gz LAGXTGDVEZIZTQ-GHMZBOCLSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573878506 950711356 /nfs/dbraw/zinc/71/13/56/950711356.db2.gz RCZFTFDUSWMJTR-VXGBXAGGSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573878506 950711363 /nfs/dbraw/zinc/71/13/63/950711363.db2.gz RCZFTFDUSWMJTR-VXGBXAGGSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574520068 950712684 /nfs/dbraw/zinc/71/26/84/950712684.db2.gz LAGXTGDVEZIZTQ-QWRGUYRKSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574520068 950712710 /nfs/dbraw/zinc/71/27/10/950712710.db2.gz LAGXTGDVEZIZTQ-QWRGUYRKSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1nccs1)C1CC1 ZINC001575006194 950716154 /nfs/dbraw/zinc/71/61/54/950716154.db2.gz RWGZLDBKGKWLNW-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1nccs1)C1CC1 ZINC001575006194 950716163 /nfs/dbraw/zinc/71/61/63/950716163.db2.gz RWGZLDBKGKWLNW-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575006237 950717710 /nfs/dbraw/zinc/71/77/10/950717710.db2.gz TXHISWSWPTZPKB-QMMMGPOBSA-N -1 3 389.807 0.734 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575006237 950717729 /nfs/dbraw/zinc/71/77/29/950717729.db2.gz TXHISWSWPTZPKB-QMMMGPOBSA-N -1 3 389.807 0.734 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001574180049 950718121 /nfs/dbraw/zinc/71/81/21/950718121.db2.gz OWGCDNVLRLZMSV-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001574180049 950718141 /nfs/dbraw/zinc/71/81/41/950718141.db2.gz OWGCDNVLRLZMSV-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)no1 ZINC001573879465 950722509 /nfs/dbraw/zinc/72/25/09/950722509.db2.gz BZZGSFKIRYCBEO-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)no1 ZINC001573879465 950722527 /nfs/dbraw/zinc/72/25/27/950722527.db2.gz BZZGSFKIRYCBEO-NSHDSACASA-N -1 3 386.416 0.750 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574763553 950723734 /nfs/dbraw/zinc/72/37/34/950723734.db2.gz DUTHHSHBOAUSEU-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnc2n1CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574763553 950723749 /nfs/dbraw/zinc/72/37/49/950723749.db2.gz DUTHHSHBOAUSEU-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001575006857 950723806 /nfs/dbraw/zinc/72/38/06/950723806.db2.gz XDVWKIDEFCEAHZ-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001575006857 950723822 /nfs/dbraw/zinc/72/38/22/950723822.db2.gz XDVWKIDEFCEAHZ-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574520344 950724927 /nfs/dbraw/zinc/72/49/27/950724927.db2.gz QCRKKLQSRHPVKG-GFCCVEGCSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574520344 950724936 /nfs/dbraw/zinc/72/49/36/950724936.db2.gz QCRKKLQSRHPVKG-GFCCVEGCSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574520345 950725772 /nfs/dbraw/zinc/72/57/72/950725772.db2.gz QCRKKLQSRHPVKG-LBPRGKRZSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574520345 950725787 /nfs/dbraw/zinc/72/57/87/950725787.db2.gz QCRKKLQSRHPVKG-LBPRGKRZSA-N -1 3 391.476 0.818 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1csnn1)C1CC1 ZINC001575006573 950726260 /nfs/dbraw/zinc/72/62/60/950726260.db2.gz VYYNKLPOYSNFDP-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1csnn1)C1CC1 ZINC001575006573 950726279 /nfs/dbraw/zinc/72/62/79/950726279.db2.gz VYYNKLPOYSNFDP-HNNXBMFYSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ccns1)C1CC1 ZINC001575007034 950729386 /nfs/dbraw/zinc/72/93/86/950729386.db2.gz ZVSUZSVLWAAWFX-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ccns1)C1CC1 ZINC001575007034 950729394 /nfs/dbraw/zinc/72/93/94/950729394.db2.gz ZVSUZSVLWAAWFX-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001574763812 950735199 /nfs/dbraw/zinc/73/51/99/950735199.db2.gz LLJHHUKMOCILOH-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N(C)C[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001574763812 950735212 /nfs/dbraw/zinc/73/52/12/950735212.db2.gz LLJHHUKMOCILOH-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575007941 950735417 /nfs/dbraw/zinc/73/54/17/950735417.db2.gz BGPBMJZSFLKSKO-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H]1CCCOC1 ZINC001575007941 950735430 /nfs/dbraw/zinc/73/54/30/950735430.db2.gz BGPBMJZSFLKSKO-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)c3cn(C)c(=O)[nH]c3=O)c(-c3nnn[n-]3)cc2C1 ZINC001576216431 950736031 /nfs/dbraw/zinc/73/60/31/950736031.db2.gz JGOWYVJRPUDSIV-QMMMGPOBSA-N -1 3 382.384 0.438 20 0 GCADHM C[C@H]1CCc2nc(NC(=O)c3cn(C)c(=O)[nH]c3=O)c(-c3nn[n-]n3)cc2C1 ZINC001576216431 950736045 /nfs/dbraw/zinc/73/60/45/950736045.db2.gz JGOWYVJRPUDSIV-QMMMGPOBSA-N -1 3 382.384 0.438 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574181036 950738036 /nfs/dbraw/zinc/73/80/36/950738036.db2.gz JCFKPUYBMUIGCU-NSHDSACASA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574181036 950738052 /nfs/dbraw/zinc/73/80/52/950738052.db2.gz JCFKPUYBMUIGCU-NSHDSACASA-N -1 3 392.439 0.870 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575008163 950738437 /nfs/dbraw/zinc/73/84/37/950738437.db2.gz CDBYQHMONIRDST-QMHNFZFOSA-N -1 3 385.428 0.100 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575008163 950738454 /nfs/dbraw/zinc/73/84/54/950738454.db2.gz CDBYQHMONIRDST-QMHNFZFOSA-N -1 3 385.428 0.100 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ncoc1C1CC1 ZINC001575008144 950739434 /nfs/dbraw/zinc/73/94/34/950739434.db2.gz BWFBQEUPMLUDMI-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1ncoc1C1CC1 ZINC001575008144 950739460 /nfs/dbraw/zinc/73/94/60/950739460.db2.gz BWFBQEUPMLUDMI-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574181275 950741480 /nfs/dbraw/zinc/74/14/80/950741480.db2.gz KSIVJRGFVNISLP-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574181275 950741492 /nfs/dbraw/zinc/74/14/92/950741492.db2.gz KSIVJRGFVNISLP-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001575008262 950743392 /nfs/dbraw/zinc/74/33/92/950743392.db2.gz DBZLPIIABJQTMV-VIFPVBQESA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001575008262 950743403 /nfs/dbraw/zinc/74/34/03/950743403.db2.gz DBZLPIIABJQTMV-VIFPVBQESA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574764406 950746320 /nfs/dbraw/zinc/74/63/20/950746320.db2.gz SGBRPOFUBVWVBH-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574764406 950746331 /nfs/dbraw/zinc/74/63/31/950746331.db2.gz SGBRPOFUBVWVBH-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H](C)c1cncnc1 ZINC001575008642 950753009 /nfs/dbraw/zinc/75/30/09/950753009.db2.gz GQJQWWSWFUQLOJ-GHMZBOCLSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H](C)c1cncnc1 ZINC001575008642 950753017 /nfs/dbraw/zinc/75/30/17/950753017.db2.gz GQJQWWSWFUQLOJ-GHMZBOCLSA-N -1 3 383.416 0.271 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576217270 950753508 /nfs/dbraw/zinc/75/35/08/950753508.db2.gz LIGABLZLUNFRFX-XPTSAGLGSA-N -1 3 383.416 0.130 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574764696 950756245 /nfs/dbraw/zinc/75/62/45/950756245.db2.gz WQJJPYRJSLWJDR-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574764696 950756266 /nfs/dbraw/zinc/75/62/66/950756266.db2.gz WQJJPYRJSLWJDR-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001575008794 950756465 /nfs/dbraw/zinc/75/64/65/950756465.db2.gz IHMRBZPNGJTNLX-RYUDHWBXSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001575008794 950756484 /nfs/dbraw/zinc/75/64/84/950756484.db2.gz IHMRBZPNGJTNLX-RYUDHWBXSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1nccn1C ZINC001575927868 950759104 /nfs/dbraw/zinc/75/91/04/950759104.db2.gz VKGFCTVGTZBDTA-VXGBXAGGSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cccnc1 ZINC001575008943 950764106 /nfs/dbraw/zinc/76/41/06/950764106.db2.gz KWFVIZRCWXYVKT-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cccnc1 ZINC001575008943 950764115 /nfs/dbraw/zinc/76/41/15/950764115.db2.gz KWFVIZRCWXYVKT-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574764949 950766926 /nfs/dbraw/zinc/76/69/26/950766926.db2.gz ALULKXFOFVSIMA-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574764949 950766938 /nfs/dbraw/zinc/76/69/38/950766938.db2.gz ALULKXFOFVSIMA-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574764943 950766987 /nfs/dbraw/zinc/76/69/87/950766987.db2.gz AJLNOMOXEXLRFJ-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574764943 950767007 /nfs/dbraw/zinc/76/70/07/950767007.db2.gz AJLNOMOXEXLRFJ-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM CC1(C)CC(C(=O)NC[C@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575630742 950767854 /nfs/dbraw/zinc/76/78/54/950767854.db2.gz GPWBUJLLPPTVPH-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575630742 950767865 /nfs/dbraw/zinc/76/78/65/950767865.db2.gz GPWBUJLLPPTVPH-LBPRGKRZSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@H]2COCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575631100 950770981 /nfs/dbraw/zinc/77/09/81/950770981.db2.gz JTQAUBIJEZNCMG-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@H]2COCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575631100 950770996 /nfs/dbraw/zinc/77/09/96/950770996.db2.gz JTQAUBIJEZNCMG-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cncnc1 ZINC001575009131 950773300 /nfs/dbraw/zinc/77/33/00/950773300.db2.gz OFCHWYWFQCCWNC-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cncnc1 ZINC001575009131 950773315 /nfs/dbraw/zinc/77/33/15/950773315.db2.gz OFCHWYWFQCCWNC-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM CC(C)(C)c1cnc(CNC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001573884018 950779635 /nfs/dbraw/zinc/77/96/35/950779635.db2.gz COMZUSBDGBLODL-LLVKDONJSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cnc(CNC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001573884018 950779642 /nfs/dbraw/zinc/77/96/42/950779642.db2.gz COMZUSBDGBLODL-LLVKDONJSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573884075 950781043 /nfs/dbraw/zinc/78/10/43/950781043.db2.gz GRFGIOADWPANAP-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573884075 950781060 /nfs/dbraw/zinc/78/10/60/950781060.db2.gz GRFGIOADWPANAP-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573884065 950783336 /nfs/dbraw/zinc/78/33/36/950783336.db2.gz FVEDWDLMAXIRPR-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573884065 950783352 /nfs/dbraw/zinc/78/33/52/950783352.db2.gz FVEDWDLMAXIRPR-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574765486 950786767 /nfs/dbraw/zinc/78/67/67/950786767.db2.gz CXGVOMQRLXTKDH-JTQLQIEISA-N -1 3 384.400 0.895 20 0 GCADHM C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574765486 950786779 /nfs/dbraw/zinc/78/67/79/950786779.db2.gz CXGVOMQRLXTKDH-JTQLQIEISA-N -1 3 384.400 0.895 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573884155 950787924 /nfs/dbraw/zinc/78/79/24/950787924.db2.gz AGVCGPBJBARQFY-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573884155 950787949 /nfs/dbraw/zinc/78/79/49/950787949.db2.gz AGVCGPBJBARQFY-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM C[C@@H](CN(C)C(=O)c1coc(C(N)=O)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574765548 950791050 /nfs/dbraw/zinc/79/10/50/950791050.db2.gz IALTWNAKHCYKKJ-QMMMGPOBSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@@H](CN(C)C(=O)c1coc(C(N)=O)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574765548 950791057 /nfs/dbraw/zinc/79/10/57/950791057.db2.gz IALTWNAKHCYKKJ-QMMMGPOBSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@]1(C)CCCOC1 ZINC001575009643 950791612 /nfs/dbraw/zinc/79/16/12/950791612.db2.gz WBNPKRGABABXOW-DIFFPNOSSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@]1(C)CCCOC1 ZINC001575009643 950791622 /nfs/dbraw/zinc/79/16/22/950791622.db2.gz WBNPKRGABABXOW-DIFFPNOSSA-N -1 3 375.433 0.494 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573884251 950791965 /nfs/dbraw/zinc/79/19/65/950791965.db2.gz LQQHRSVHGSBPJK-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573884251 950791982 /nfs/dbraw/zinc/79/19/82/950791982.db2.gz LQQHRSVHGSBPJK-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cn(C)nc1Cl ZINC001575009766 950793248 /nfs/dbraw/zinc/79/32/48/950793248.db2.gz WMUXIYBKWOJOJJ-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cn(C)nc1Cl ZINC001575009766 950793261 /nfs/dbraw/zinc/79/32/61/950793261.db2.gz WMUXIYBKWOJOJJ-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573884528 950794305 /nfs/dbraw/zinc/79/43/05/950794305.db2.gz NHIOOEAVGKZBNN-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573884528 950794326 /nfs/dbraw/zinc/79/43/26/950794326.db2.gz NHIOOEAVGKZBNN-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574185268 950796536 /nfs/dbraw/zinc/79/65/36/950796536.db2.gz WWPBMDXDOMQTPL-AWEZNQCLSA-N -1 3 391.476 0.912 20 0 GCADHM CC(C)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574185268 950796547 /nfs/dbraw/zinc/79/65/47/950796547.db2.gz WWPBMDXDOMQTPL-AWEZNQCLSA-N -1 3 391.476 0.912 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCN1c1cnccn1 ZINC001576218995 950798471 /nfs/dbraw/zinc/79/84/71/950798471.db2.gz NFXAXQZEVGHDFB-WBMJQRKESA-N -1 3 380.412 0.427 20 0 GCADHM C[C@@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCN1c1cnccn1 ZINC001576218995 950798481 /nfs/dbraw/zinc/79/84/81/950798481.db2.gz NFXAXQZEVGHDFB-WBMJQRKESA-N -1 3 380.412 0.427 20 0 GCADHM C[C@H](CN(C)CC(=O)NCc1ccco1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765915 950800705 /nfs/dbraw/zinc/80/07/05/950800705.db2.gz GDPOUWZQRSXMJH-LLVKDONJSA-N -1 3 386.416 0.154 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)C1 ZINC001575632529 950800844 /nfs/dbraw/zinc/80/08/44/950800844.db2.gz LHQMKEAXKFOXJQ-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)C1 ZINC001575632529 950800855 /nfs/dbraw/zinc/80/08/55/950800855.db2.gz LHQMKEAXKFOXJQ-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573884656 950800841 /nfs/dbraw/zinc/80/08/41/950800841.db2.gz HRADYTDVKHAUGV-UHFFFAOYSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001576219146 950805125 /nfs/dbraw/zinc/80/51/25/950805125.db2.gz SOQDAQDPHVDUIS-ZUZCIYMTSA-N -1 3 382.432 0.298 20 0 GCADHM CC1(C)CC(CC(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)C1 ZINC001575632810 950806397 /nfs/dbraw/zinc/80/63/97/950806397.db2.gz NJBGWRBNSFDEEA-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(CC(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)C1 ZINC001575632810 950806414 /nfs/dbraw/zinc/80/64/14/950806414.db2.gz NJBGWRBNSFDEEA-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575632859 950808318 /nfs/dbraw/zinc/80/83/18/950808318.db2.gz OTQNBVWMZSKSET-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(CC(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575632859 950808335 /nfs/dbraw/zinc/80/83/35/950808335.db2.gz OTQNBVWMZSKSET-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001575009954 950808380 /nfs/dbraw/zinc/80/83/80/950808380.db2.gz ZGMDLRLKAYATPK-SNVBAGLBSA-N -1 3 385.432 0.472 20 0 GCADHM CC(C)(C)c1nccc(N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573885047 950809333 /nfs/dbraw/zinc/80/93/33/950809333.db2.gz NJNBLVJNOTUXPL-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nccc(N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573885047 950809338 /nfs/dbraw/zinc/80/93/38/950809338.db2.gz NJNBLVJNOTUXPL-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574186342 950809591 /nfs/dbraw/zinc/80/95/91/950809591.db2.gz CUDSENIJJNPGSZ-ZIAGYGMSSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574186342 950809610 /nfs/dbraw/zinc/80/96/10/950809610.db2.gz CUDSENIJJNPGSZ-ZIAGYGMSSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574766590 950818128 /nfs/dbraw/zinc/81/81/28/950818128.db2.gz JSGMEABDSFRBFT-SSDOTTSWSA-N -1 3 377.800 0.011 20 0 GCADHM C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574766590 950818151 /nfs/dbraw/zinc/81/81/51/950818151.db2.gz JSGMEABDSFRBFT-SSDOTTSWSA-N -1 3 377.800 0.011 20 0 GCADHM C[C@H](CN(C)[C@@H](C)c1nnnn1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574766384 950819380 /nfs/dbraw/zinc/81/93/80/950819380.db2.gz JHAVZMJEIHVTBD-ZJUUUORDSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CN(C)[C@@H](C)c1nnnn1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574766384 950819397 /nfs/dbraw/zinc/81/93/97/950819397.db2.gz JHAVZMJEIHVTBD-ZJUUUORDSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575010305 950821243 /nfs/dbraw/zinc/82/12/43/950821243.db2.gz CTJCCHPYVAMBNG-RKRFWMIESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001575010305 950821264 /nfs/dbraw/zinc/82/12/64/950821264.db2.gz CTJCCHPYVAMBNG-RKRFWMIESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1csnn1 ZINC001575932217 950824954 /nfs/dbraw/zinc/82/49/54/950824954.db2.gz KQQGQXHKVVMCMS-OIBJUYFYSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1csnn1 ZINC001575932217 950824978 /nfs/dbraw/zinc/82/49/78/950824978.db2.gz KQQGQXHKVVMCMS-OIBJUYFYSA-N -1 3 375.393 0.967 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)C1 ZINC001575634136 950825874 /nfs/dbraw/zinc/82/58/74/950825874.db2.gz ZVAQDVHNMOGIAB-KGLIPLIRSA-N -1 3 389.435 0.893 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)C1 ZINC001575634136 950825898 /nfs/dbraw/zinc/82/58/98/950825898.db2.gz ZVAQDVHNMOGIAB-KGLIPLIRSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001573885529 950830613 /nfs/dbraw/zinc/83/06/13/950830613.db2.gz TVAGOSAIFCKSOH-OLZOCXBDSA-N -1 3 397.443 0.262 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001573885529 950830640 /nfs/dbraw/zinc/83/06/40/950830640.db2.gz TVAGOSAIFCKSOH-OLZOCXBDSA-N -1 3 397.443 0.262 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1coc(C2CC2)n1 ZINC001575010655 950833326 /nfs/dbraw/zinc/83/33/26/950833326.db2.gz IAAOQFOOVYDMJH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1coc(C2CC2)n1 ZINC001575010655 950833340 /nfs/dbraw/zinc/83/33/40/950833340.db2.gz IAAOQFOOVYDMJH-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573885874 950838587 /nfs/dbraw/zinc/83/85/87/950838587.db2.gz WBNIYIMDNOZTSU-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573885874 950838609 /nfs/dbraw/zinc/83/86/09/950838609.db2.gz WBNIYIMDNOZTSU-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767290 950839985 /nfs/dbraw/zinc/83/99/85/950839985.db2.gz PLZVRQXXCNRFAV-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767290 950840004 /nfs/dbraw/zinc/84/00/04/950840004.db2.gz PLZVRQXXCNRFAV-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)nc3)nc2C1 ZINC001576220964 950843195 /nfs/dbraw/zinc/84/31/95/950843195.db2.gz YIYYVFIWZWTMQY-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)nc3)nc2C1 ZINC001576220964 950843215 /nfs/dbraw/zinc/84/32/15/950843215.db2.gz YIYYVFIWZWTMQY-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575933668 950843580 /nfs/dbraw/zinc/84/35/80/950843580.db2.gz PFCHLBHXBXKLLF-LDYMZIIASA-N -1 3 387.379 0.555 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1c[nH]c(=O)n1C ZINC001575933668 950843588 /nfs/dbraw/zinc/84/35/88/950843588.db2.gz PFCHLBHXBXKLLF-LDYMZIIASA-N -1 3 387.379 0.555 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ncc[nH]1 ZINC001574524116 950848517 /nfs/dbraw/zinc/84/85/17/950848517.db2.gz TYGOQXIJNXNRHV-GHMZBOCLSA-N -1 3 385.432 0.564 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ncc[nH]1 ZINC001574524116 950848535 /nfs/dbraw/zinc/84/85/35/950848535.db2.gz TYGOQXIJNXNRHV-GHMZBOCLSA-N -1 3 385.432 0.564 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574188252 950852202 /nfs/dbraw/zinc/85/22/02/950852202.db2.gz VVRAMCNQHKNAQR-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574188252 950852216 /nfs/dbraw/zinc/85/22/16/950852216.db2.gz VVRAMCNQHKNAQR-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1ccn(C)n1 ZINC001575934453 950855743 /nfs/dbraw/zinc/85/57/43/950855743.db2.gz RKLXFGOUAFJSGI-IINYFYTJSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1ccn(C)n1 ZINC001575934453 950855775 /nfs/dbraw/zinc/85/57/75/950855775.db2.gz RKLXFGOUAFJSGI-IINYFYTJSA-N -1 3 385.407 0.778 20 0 GCADHM CC(C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574189098 950858194 /nfs/dbraw/zinc/85/81/94/950858194.db2.gz BQHMGRLQSSCMKU-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574189098 950858210 /nfs/dbraw/zinc/85/82/10/950858210.db2.gz BQHMGRLQSSCMKU-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCCC[C@H]1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767648 950863187 /nfs/dbraw/zinc/86/31/87/950863187.db2.gz PMODMPNNJPDVIH-CHWSQXEVSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575011872 950867103 /nfs/dbraw/zinc/86/71/03/950867103.db2.gz SVRASPQYEHPUAH-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001575011872 950867128 /nfs/dbraw/zinc/86/71/28/950867128.db2.gz SVRASPQYEHPUAH-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nsc(N(C)C)n1 ZINC001575011902 950869379 /nfs/dbraw/zinc/86/93/79/950869379.db2.gz TYYLOUAXGDEXKK-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nsc(N(C)C)n1 ZINC001575011902 950869400 /nfs/dbraw/zinc/86/94/00/950869400.db2.gz TYYLOUAXGDEXKK-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1ncnn1C(C)(C)C ZINC001575012003 950873489 /nfs/dbraw/zinc/87/34/89/950873489.db2.gz VQJRAUGONYQNMF-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1ncnn1C(C)(C)C ZINC001575012003 950873510 /nfs/dbraw/zinc/87/35/10/950873510.db2.gz VQJRAUGONYQNMF-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575935415 950878365 /nfs/dbraw/zinc/87/83/65/950878365.db2.gz WCYBEUXFFVEKGX-OCCSQVGLSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575935415 950878382 /nfs/dbraw/zinc/87/83/82/950878382.db2.gz WCYBEUXFFVEKGX-OCCSQVGLSA-N -1 3 386.460 0.922 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)n1 ZINC001573893436 950882673 /nfs/dbraw/zinc/88/26/73/950882673.db2.gz FZOQHDPFRKYTHJ-LLVKDONJSA-N -1 3 382.432 0.617 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)n1 ZINC001573893436 950882697 /nfs/dbraw/zinc/88/26/97/950882697.db2.gz FZOQHDPFRKYTHJ-LLVKDONJSA-N -1 3 382.432 0.617 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1cncn1C ZINC001575935476 950883813 /nfs/dbraw/zinc/88/38/13/950883813.db2.gz WYQPKJURBOSKTE-YGRLFVJLSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1cncn1C ZINC001575935476 950883834 /nfs/dbraw/zinc/88/38/34/950883834.db2.gz WYQPKJURBOSKTE-YGRLFVJLSA-N -1 3 385.407 0.778 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573893488 950886056 /nfs/dbraw/zinc/88/60/56/950886056.db2.gz HXHCEIPXMXIMPI-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573893488 950886077 /nfs/dbraw/zinc/88/60/77/950886077.db2.gz HXHCEIPXMXIMPI-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cnnn1C ZINC001575935595 950889021 /nfs/dbraw/zinc/88/90/21/950889021.db2.gz YHAUTRKFDZOKAM-LDYMZIIASA-N -1 3 388.823 0.759 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cnnn1C ZINC001575935595 950889039 /nfs/dbraw/zinc/88/90/39/950889039.db2.gz YHAUTRKFDZOKAM-LDYMZIIASA-N -1 3 388.823 0.759 20 0 GCADHM CC(C)(C)n1nnc(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001573893636 950895031 /nfs/dbraw/zinc/89/50/31/950895031.db2.gz OKBWFZDHCKIREG-UHFFFAOYSA-N -1 3 383.420 0.378 20 0 GCADHM CC(C)(C)n1nnc(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001573893636 950895053 /nfs/dbraw/zinc/89/50/53/950895053.db2.gz OKBWFZDHCKIREG-UHFFFAOYSA-N -1 3 383.420 0.378 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1csc(=O)[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574527580 950896948 /nfs/dbraw/zinc/89/69/48/950896948.db2.gz DQQOSWNVKLTQQN-HTQZYQBOSA-N -1 3 390.429 0.684 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573893708 950898040 /nfs/dbraw/zinc/89/80/40/950898040.db2.gz SDIBQPMTWPALFE-UHFFFAOYSA-N -1 3 384.448 0.403 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573893708 950898056 /nfs/dbraw/zinc/89/80/56/950898056.db2.gz SDIBQPMTWPALFE-UHFFFAOYSA-N -1 3 384.448 0.403 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1Cc2ccncc2C1 ZINC001575014166 950899030 /nfs/dbraw/zinc/89/90/30/950899030.db2.gz FIXGIBLEPMVXLT-JQWIXIFHSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1Cc2ccncc2C1 ZINC001575014166 950899050 /nfs/dbraw/zinc/89/90/50/950899050.db2.gz FIXGIBLEPMVXLT-JQWIXIFHSA-N -1 3 380.412 0.239 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001573893719 950900789 /nfs/dbraw/zinc/90/07/89/950900789.db2.gz SRLCRAFJYIRVNU-UHFFFAOYSA-N -1 3 381.444 0.827 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001573893719 950900806 /nfs/dbraw/zinc/90/08/06/950900806.db2.gz SRLCRAFJYIRVNU-UHFFFAOYSA-N -1 3 381.444 0.827 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574527792 950904069 /nfs/dbraw/zinc/90/40/69/950904069.db2.gz HFARHJDAULJDEV-HTQZYQBOSA-N -1 3 375.368 0.384 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574527792 950904085 /nfs/dbraw/zinc/90/40/85/950904085.db2.gz HFARHJDAULJDEV-HTQZYQBOSA-N -1 3 375.368 0.384 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CN(C)c1ccccc1 ZINC001575014422 950905863 /nfs/dbraw/zinc/90/58/63/950905863.db2.gz FOXHQHYGKNBXMS-GFCCVEGCSA-N -1 3 382.428 0.566 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CN(C)c1ccccc1 ZINC001575014422 950905888 /nfs/dbraw/zinc/90/58/88/950905888.db2.gz FOXHQHYGKNBXMS-GFCCVEGCSA-N -1 3 382.428 0.566 20 0 GCADHM CC(C)(C)n1nnc(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC001573893826 950905938 /nfs/dbraw/zinc/90/59/38/950905938.db2.gz YKEDUQFADXSAQG-UHFFFAOYSA-N -1 3 382.432 0.222 20 0 GCADHM CC(C)(C)n1nnc(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC001573893826 950905962 /nfs/dbraw/zinc/90/59/62/950905962.db2.gz YKEDUQFADXSAQG-UHFFFAOYSA-N -1 3 382.432 0.222 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCC1CCOCC1 ZINC001575014471 950906455 /nfs/dbraw/zinc/90/64/55/950906455.db2.gz GFDKBPXMBNEOFE-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCC1CCOCC1 ZINC001575014471 950906470 /nfs/dbraw/zinc/90/64/70/950906470.db2.gz GFDKBPXMBNEOFE-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)CCCC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574190537 950912598 /nfs/dbraw/zinc/91/25/98/950912598.db2.gz YOYFHACWTFGOHU-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574190537 950912612 /nfs/dbraw/zinc/91/26/12/950912612.db2.gz YOYFHACWTFGOHU-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2n(c1)CCCC2 ZINC001575014768 950913616 /nfs/dbraw/zinc/91/36/16/950913616.db2.gz IWKAGTRBSLRYEX-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2n(c1)CCCC2 ZINC001575014768 950913635 /nfs/dbraw/zinc/91/36/35/950913635.db2.gz IWKAGTRBSLRYEX-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1Cc2ccccc2C1 ZINC001575015012 950920628 /nfs/dbraw/zinc/92/06/28/950920628.db2.gz LNLWRKOVMMXAEW-LLVKDONJSA-N -1 3 379.424 0.844 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1Cc2ccccc2C1 ZINC001575015012 950920640 /nfs/dbraw/zinc/92/06/40/950920640.db2.gz LNLWRKOVMMXAEW-LLVKDONJSA-N -1 3 379.424 0.844 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575936649 950922698 /nfs/dbraw/zinc/92/26/98/950922698.db2.gz HCNKUUJCLCNBQP-BXKDBHETSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575936649 950922709 /nfs/dbraw/zinc/92/27/09/950922709.db2.gz HCNKUUJCLCNBQP-BXKDBHETSA-N -1 3 382.384 0.669 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574191392 950926154 /nfs/dbraw/zinc/92/61/54/950926154.db2.gz HFJBADKGKWSDKS-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574191392 950926176 /nfs/dbraw/zinc/92/61/76/950926176.db2.gz HFJBADKGKWSDKS-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C2CC2)nn1C ZINC001575015332 950929823 /nfs/dbraw/zinc/92/98/23/950929823.db2.gz PGQGHIOJLWNZQG-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C2CC2)nn1C ZINC001575015332 950929836 /nfs/dbraw/zinc/92/98/36/950929836.db2.gz PGQGHIOJLWNZQG-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C2CC2)nn1C ZINC001575015334 950930468 /nfs/dbraw/zinc/93/04/68/950930468.db2.gz PGQGHIOJLWNZQG-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C2CC2)nn1C ZINC001575015334 950930475 /nfs/dbraw/zinc/93/04/75/950930475.db2.gz PGQGHIOJLWNZQG-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC001573894518 950931780 /nfs/dbraw/zinc/93/17/80/950931780.db2.gz UHBWXZIQSZHLMQ-UHFFFAOYSA-N -1 3 382.432 0.571 20 0 GCADHM CC(C)CCCCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574192258 950931727 /nfs/dbraw/zinc/93/17/27/950931727.db2.gz LGJIBMAOFBUGIF-CABCVRRESA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574192258 950931743 /nfs/dbraw/zinc/93/17/43/950931743.db2.gz LGJIBMAOFBUGIF-CABCVRRESA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)n1cc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC001573894518 950931797 /nfs/dbraw/zinc/93/17/97/950931797.db2.gz UHBWXZIQSZHLMQ-UHFFFAOYSA-N -1 3 382.432 0.571 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(N(C)C)ccn1 ZINC001575015439 950934902 /nfs/dbraw/zinc/93/49/02/950934902.db2.gz QOPOUYLBNPRJNL-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(N(C)C)ccn1 ZINC001575015439 950934919 /nfs/dbraw/zinc/93/49/19/950934919.db2.gz QOPOUYLBNPRJNL-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574528588 950938034 /nfs/dbraw/zinc/93/80/34/950938034.db2.gz NOWVRSWNLBNJRV-UWVGGRQHSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cccc(=O)[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574528588 950938052 /nfs/dbraw/zinc/93/80/52/950938052.db2.gz NOWVRSWNLBNJRV-UWVGGRQHSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1ccncc1Cl ZINC001575015628 950939375 /nfs/dbraw/zinc/93/93/75/950939375.db2.gz SYNFZXIPNADZRB-SECBINFHSA-N -1 3 388.819 0.720 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1ccncc1Cl ZINC001575015628 950939387 /nfs/dbraw/zinc/93/93/87/950939387.db2.gz SYNFZXIPNADZRB-SECBINFHSA-N -1 3 388.819 0.720 20 0 GCADHM CC1(C)C[C@@H](NC(=O)c2ccn[nH]2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575642395 950941557 /nfs/dbraw/zinc/94/15/57/950941557.db2.gz UOZCAYBSCOPPSG-NSHDSACASA-N -1 3 382.432 0.805 20 0 GCADHM CC1(C)C[C@H](NC(=O)c2ccn[nH]2)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575642392 950942515 /nfs/dbraw/zinc/94/25/15/950942515.db2.gz UOZCAYBSCOPPSG-LLVKDONJSA-N -1 3 382.432 0.805 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC1CCCCC1 ZINC001575015725 950943446 /nfs/dbraw/zinc/94/34/46/950943446.db2.gz VYBQUYQOQWNZEK-NSHDSACASA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC1CCCCC1 ZINC001575015725 950943463 /nfs/dbraw/zinc/94/34/63/950943463.db2.gz VYBQUYQOQWNZEK-NSHDSACASA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COc1ccccc1F ZINC001575015807 950948747 /nfs/dbraw/zinc/94/87/47/950948747.db2.gz WLVJSMPIPNIXQN-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COc1ccccc1F ZINC001575015807 950948768 /nfs/dbraw/zinc/94/87/68/950948768.db2.gz WLVJSMPIPNIXQN-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CO1 ZINC001575937561 950950003 /nfs/dbraw/zinc/95/00/03/950950003.db2.gz GEKXKTGZNRHIHX-NWDGAFQWSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CO1 ZINC001575937561 950950011 /nfs/dbraw/zinc/95/00/11/950950011.db2.gz GEKXKTGZNRHIHX-NWDGAFQWSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)C2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CO1 ZINC001575937559 950950088 /nfs/dbraw/zinc/95/00/88/950950088.db2.gz GEKXKTGZNRHIHX-NEPJUHHUSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CO1 ZINC001575937559 950950102 /nfs/dbraw/zinc/95/01/02/950950102.db2.gz GEKXKTGZNRHIHX-NEPJUHHUSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001575015836 950950462 /nfs/dbraw/zinc/95/04/62/950950462.db2.gz WTSRQOTYTAGYLK-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001575015836 950950480 /nfs/dbraw/zinc/95/04/80/950950480.db2.gz WTSRQOTYTAGYLK-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574194426 950953606 /nfs/dbraw/zinc/95/36/06/950953606.db2.gz YCWWWHLEDMCLEG-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574194426 950953616 /nfs/dbraw/zinc/95/36/16/950953616.db2.gz YCWWWHLEDMCLEG-CYBMUJFWSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576229045 950959915 /nfs/dbraw/zinc/95/99/15/950959915.db2.gz IOSRMLIAOMFCJN-GXFFZTMASA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576229045 950959924 /nfs/dbraw/zinc/95/99/24/950959924.db2.gz IOSRMLIAOMFCJN-GXFFZTMASA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc(C2CC2)nc1 ZINC001575016897 950962996 /nfs/dbraw/zinc/96/29/96/950962996.db2.gz CEZVLOUJLOVIJK-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc(C2CC2)nc1 ZINC001575016897 950963007 /nfs/dbraw/zinc/96/30/07/950963007.db2.gz CEZVLOUJLOVIJK-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnc(N(C)C)c1 ZINC001575016918 950964166 /nfs/dbraw/zinc/96/41/66/950964166.db2.gz CMZAPUABFBHTGF-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnc(N(C)C)c1 ZINC001575016918 950964176 /nfs/dbraw/zinc/96/41/76/950964176.db2.gz CMZAPUABFBHTGF-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001575016890 950964849 /nfs/dbraw/zinc/96/48/49/950964849.db2.gz CDFSVPBPCTZPKC-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001575016890 950964872 /nfs/dbraw/zinc/96/48/72/950964872.db2.gz CDFSVPBPCTZPKC-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575937982 950968029 /nfs/dbraw/zinc/96/80/29/950968029.db2.gz IBDUYBZAQOCHCP-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575937982 950968048 /nfs/dbraw/zinc/96/80/48/950968048.db2.gz IBDUYBZAQOCHCP-NEPJUHHUSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccnn1C1CCC1 ZINC001575016929 950968270 /nfs/dbraw/zinc/96/82/70/950968270.db2.gz CTRIMOIBPXBQOV-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccnn1C1CCC1 ZINC001575016929 950968287 /nfs/dbraw/zinc/96/82/87/950968287.db2.gz CTRIMOIBPXBQOV-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCS(C)(=O)=O ZINC001575938077 950972962 /nfs/dbraw/zinc/97/29/62/950972962.db2.gz MOIZHBDUWIFIPA-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575938077 950972973 /nfs/dbraw/zinc/97/29/73/950972973.db2.gz MOIZHBDUWIFIPA-PWSUYJOCSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575017251 950985548 /nfs/dbraw/zinc/98/55/48/950985548.db2.gz CDVMSRHXNQRSEZ-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575017251 950985562 /nfs/dbraw/zinc/98/55/62/950985562.db2.gz CDVMSRHXNQRSEZ-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575938537 950986015 /nfs/dbraw/zinc/98/60/15/950986015.db2.gz LMIJYXOKRGYOFE-RYUDHWBXSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575938537 950986032 /nfs/dbraw/zinc/98/60/32/950986032.db2.gz LMIJYXOKRGYOFE-RYUDHWBXSA-N -1 3 375.433 0.540 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575644486 950986800 /nfs/dbraw/zinc/98/68/00/950986800.db2.gz UCLGNXIYQPUEON-XIKOKIGWSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575644486 950986815 /nfs/dbraw/zinc/98/68/15/950986815.db2.gz UCLGNXIYQPUEON-XIKOKIGWSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@@H]1CO[C@@H](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575938924 950994717 /nfs/dbraw/zinc/99/47/17/950994717.db2.gz NSKDDFBMURJOOC-JSGCOSHPSA-N -1 3 389.460 0.929 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@@H]1CO[C@@H](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575938924 950994729 /nfs/dbraw/zinc/99/47/29/950994729.db2.gz NSKDDFBMURJOOC-JSGCOSHPSA-N -1 3 389.460 0.929 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)C1CC1 ZINC001573899992 950995636 /nfs/dbraw/zinc/99/56/36/950995636.db2.gz OAHKUNLUKQPFJN-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)C1CC1 ZINC001573899992 950995650 /nfs/dbraw/zinc/99/56/50/950995650.db2.gz OAHKUNLUKQPFJN-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@@H]1CO[C@H](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575938926 950996268 /nfs/dbraw/zinc/99/62/68/950996268.db2.gz NSKDDFBMURJOOC-OCCSQVGLSA-N -1 3 389.460 0.929 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@@H]1CO[C@H](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575938926 950996271 /nfs/dbraw/zinc/99/62/71/950996271.db2.gz NSKDDFBMURJOOC-OCCSQVGLSA-N -1 3 389.460 0.929 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnns1 ZINC001574530763 950996810 /nfs/dbraw/zinc/99/68/10/950996810.db2.gz WSEFPCWYBXUHAD-JGVFFNPUSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnns1 ZINC001574530763 950996820 /nfs/dbraw/zinc/99/68/20/950996820.db2.gz WSEFPCWYBXUHAD-JGVFFNPUSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC001575017560 950998669 /nfs/dbraw/zinc/99/86/69/950998669.db2.gz LGXBFLOEPGAUMQ-YMTOWFKASA-N -1 3 386.391 0.268 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccnc2n[nH]nc21 ZINC001575939034 951000682 /nfs/dbraw/zinc/00/06/82/951000682.db2.gz POXPXRNSHXADJL-CABZTGNLSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccnc2n[nH]nc21 ZINC001575939034 951000702 /nfs/dbraw/zinc/00/07/02/951000702.db2.gz POXPXRNSHXADJL-CABZTGNLSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@@H](CN(C)Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574774067 951001222 /nfs/dbraw/zinc/00/12/22/951001222.db2.gz BTRKIADELXGCGL-SWLSCSKDSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](CN(C)Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574774066 951002084 /nfs/dbraw/zinc/00/20/84/951002084.db2.gz BTRKIADELXGCGL-IUODEOHRSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccnc2n[nH]nc21 ZINC001575939031 951002805 /nfs/dbraw/zinc/00/28/05/951002805.db2.gz POXPXRNSHXADJL-BXKDBHETSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccnc2n[nH]nc21 ZINC001575939031 951002824 /nfs/dbraw/zinc/00/28/24/951002824.db2.gz POXPXRNSHXADJL-BXKDBHETSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@H]1CN(C(=O)C2=COCCC2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576230343 951003927 /nfs/dbraw/zinc/00/39/27/951003927.db2.gz BQJRHCIYQMMZAF-WCQYABFASA-N -1 3 385.428 0.713 20 0 GCADHM C[C@H]1CN(C(=O)C2=COCCC2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576230343 951003948 /nfs/dbraw/zinc/00/39/48/951003948.db2.gz BQJRHCIYQMMZAF-WCQYABFASA-N -1 3 385.428 0.713 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CO1 ZINC001575939264 951009316 /nfs/dbraw/zinc/00/93/16/951009316.db2.gz PKIJHZXGCCVFAC-RYUDHWBXSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H]1C[C@H](C(=O)N(C)CCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CO1 ZINC001575939264 951009332 /nfs/dbraw/zinc/00/93/32/951009332.db2.gz PKIJHZXGCCVFAC-RYUDHWBXSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)CNc1ncccc1-c1nnn[n-]1 ZINC001575018129 951015535 /nfs/dbraw/zinc/01/55/35/951015535.db2.gz KZMSQNUAVSLRSL-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)CNc1ncccc1-c1nn[n-]n1 ZINC001575018129 951015547 /nfs/dbraw/zinc/01/55/47/951015547.db2.gz KZMSQNUAVSLRSL-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1ccc(NC(N)=O)cc1)Nc1ncccc1-c1nnn[n-]1 ZINC001575024392 951101585 /nfs/dbraw/zinc/10/15/85/951101585.db2.gz CTGYWZFWRBLZMG-SNVBAGLBSA-N -1 3 381.400 0.983 20 0 GCADHM C[C@H](CNC(=O)c1ccc(NC(N)=O)cc1)Nc1ncccc1-c1nn[n-]n1 ZINC001575024392 951101592 /nfs/dbraw/zinc/10/15/92/951101592.db2.gz CTGYWZFWRBLZMG-SNVBAGLBSA-N -1 3 381.400 0.983 20 0 GCADHM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ncccc1-c1nnn[n-]1 ZINC001575025099 951125748 /nfs/dbraw/zinc/12/57/48/951125748.db2.gz UZISIEZNIHDTDD-SECBINFHSA-N -1 3 391.413 0.489 20 0 GCADHM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ncccc1-c1nn[n-]n1 ZINC001575025099 951125762 /nfs/dbraw/zinc/12/57/62/951125762.db2.gz UZISIEZNIHDTDD-SECBINFHSA-N -1 3 391.413 0.489 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)CNc1ncccc1-c1nnn[n-]1 ZINC001575026632 951145234 /nfs/dbraw/zinc/14/52/34/951145234.db2.gz LLUQHOZECVYZDM-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)CNc1ncccc1-c1nn[n-]n1 ZINC001575026632 951145241 /nfs/dbraw/zinc/14/52/41/951145241.db2.gz LLUQHOZECVYZDM-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(=O)n1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575026934 951150969 /nfs/dbraw/zinc/15/09/69/951150969.db2.gz OMXMEFLHMYVRLS-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(=O)n1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575026934 951150976 /nfs/dbraw/zinc/15/09/76/951150976.db2.gz OMXMEFLHMYVRLS-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cccc(N(C)C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575027412 951155725 /nfs/dbraw/zinc/15/57/25/951155725.db2.gz FYNTXVNIFUUXST-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1cccc(N(C)C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575027412 951155730 /nfs/dbraw/zinc/15/57/30/951155730.db2.gz FYNTXVNIFUUXST-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575031495 951193900 /nfs/dbraw/zinc/19/39/00/951193900.db2.gz BKVQYXKZNMOJCZ-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575031495 951193903 /nfs/dbraw/zinc/19/39/03/951193903.db2.gz BKVQYXKZNMOJCZ-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575032550 951227342 /nfs/dbraw/zinc/22/73/42/951227342.db2.gz ZWAOXRFORJLLRF-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575032550 951227350 /nfs/dbraw/zinc/22/73/50/951227350.db2.gz ZWAOXRFORJLLRF-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@](CNC(=O)c1ccns1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575034894 951260739 /nfs/dbraw/zinc/26/07/39/951260739.db2.gz QDAUCURVRISRMC-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1ccns1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575034894 951260755 /nfs/dbraw/zinc/26/07/55/951260755.db2.gz QDAUCURVRISRMC-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575034993 951263070 /nfs/dbraw/zinc/26/30/70/951263070.db2.gz RSWGNVNLXGHBIC-VIFPVBQESA-N -1 3 377.359 0.954 20 0 GCADHM C[C@@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575034993 951263079 /nfs/dbraw/zinc/26/30/79/951263079.db2.gz RSWGNVNLXGHBIC-VIFPVBQESA-N -1 3 377.359 0.954 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575035264 951271798 /nfs/dbraw/zinc/27/17/98/951271798.db2.gz VBNTWOYAJOFWGF-SECBINFHSA-N -1 3 377.359 0.954 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1CC(F)F)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575035264 951271814 /nfs/dbraw/zinc/27/18/14/951271814.db2.gz VBNTWOYAJOFWGF-SECBINFHSA-N -1 3 377.359 0.954 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575035829 951285026 /nfs/dbraw/zinc/28/50/26/951285026.db2.gz MMNHPUZOUSHXSO-VIFPVBQESA-N -1 3 379.384 0.382 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575035829 951285038 /nfs/dbraw/zinc/28/50/38/951285038.db2.gz MMNHPUZOUSHXSO-VIFPVBQESA-N -1 3 379.384 0.382 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001575036349 951292513 /nfs/dbraw/zinc/29/25/13/951292513.db2.gz RQFOBWIUCABBCX-VIFPVBQESA-N -1 3 377.359 0.954 20 0 GCADHM C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001575036349 951292529 /nfs/dbraw/zinc/29/25/29/951292529.db2.gz RQFOBWIUCABBCX-VIFPVBQESA-N -1 3 377.359 0.954 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575036680 951297971 /nfs/dbraw/zinc/29/79/71/951297971.db2.gz VWIWYJQVCAFARQ-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575036680 951297984 /nfs/dbraw/zinc/29/79/84/951297984.db2.gz VWIWYJQVCAFARQ-JTQLQIEISA-N -1 3 383.416 0.204 20 0 GCADHM C[C@](CNC(=O)c1ccsn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575037567 951308796 /nfs/dbraw/zinc/30/87/96/951308796.db2.gz APVUQZWGFZJJJP-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1ccsn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575037567 951308812 /nfs/dbraw/zinc/30/88/12/951308812.db2.gz APVUQZWGFZJJJP-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001575040388 951343225 /nfs/dbraw/zinc/34/32/25/951343225.db2.gz WGDVTWATGHPDLP-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001575040388 951343238 /nfs/dbraw/zinc/34/32/38/951343238.db2.gz WGDVTWATGHPDLP-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575041784 951347999 /nfs/dbraw/zinc/34/79/99/951347999.db2.gz CEFPKIFWISOFMJ-LLVKDONJSA-N -1 3 387.469 0.877 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)Cc1ccc(-c2nn[n-]n2)s1 ZINC001575041784 951348013 /nfs/dbraw/zinc/34/80/13/951348013.db2.gz CEFPKIFWISOFMJ-LLVKDONJSA-N -1 3 387.469 0.877 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575041750 951348581 /nfs/dbraw/zinc/34/85/81/951348581.db2.gz BFUDTXUMXFWYNY-MRVPVSSYSA-N -1 3 391.823 0.609 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCC2)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575042157 951355124 /nfs/dbraw/zinc/35/51/24/951355124.db2.gz GPTNESYUTIGFOA-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCC2)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575042157 951355138 /nfs/dbraw/zinc/35/51/38/951355138.db2.gz GPTNESYUTIGFOA-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575042808 951374561 /nfs/dbraw/zinc/37/45/61/951374561.db2.gz CKYMWQKJGDUNOW-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575042808 951374575 /nfs/dbraw/zinc/37/45/75/951374575.db2.gz CKYMWQKJGDUNOW-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575043026 951379879 /nfs/dbraw/zinc/37/98/79/951379879.db2.gz NTNCXTWFXODBKO-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575043026 951379885 /nfs/dbraw/zinc/37/98/85/951379885.db2.gz NTNCXTWFXODBKO-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575043370 951388404 /nfs/dbraw/zinc/38/84/04/951388404.db2.gz RMFWMVHBARDZEJ-LLVKDONJSA-N -1 3 382.432 0.833 20 0 GCADHM C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575043370 951388412 /nfs/dbraw/zinc/38/84/12/951388412.db2.gz RMFWMVHBARDZEJ-LLVKDONJSA-N -1 3 382.432 0.833 20 0 GCADHM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575043424 951392440 /nfs/dbraw/zinc/39/24/40/951392440.db2.gz IXAAFZLSELXYKI-MRVPVSSYSA-N -1 3 389.807 0.665 20 0 GCADHM C[C@H](CNC(=O)c1cn[nH]c(=O)c1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575043424 951392464 /nfs/dbraw/zinc/39/24/64/951392464.db2.gz IXAAFZLSELXYKI-MRVPVSSYSA-N -1 3 389.807 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575043652 951399809 /nfs/dbraw/zinc/39/98/09/951399809.db2.gz LLFLDFRWGBFVEY-NSHDSACASA-N -1 3 382.432 0.372 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575043652 951399815 /nfs/dbraw/zinc/39/98/15/951399815.db2.gz LLFLDFRWGBFVEY-NSHDSACASA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575043710 951403958 /nfs/dbraw/zinc/40/39/58/951403958.db2.gz MILDBRDELOWYIR-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575043710 951403967 /nfs/dbraw/zinc/40/39/67/951403967.db2.gz MILDBRDELOWYIR-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575043878 951405536 /nfs/dbraw/zinc/40/55/36/951405536.db2.gz MTTWDQCMPNBCQP-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575043878 951405544 /nfs/dbraw/zinc/40/55/44/951405544.db2.gz MTTWDQCMPNBCQP-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575044279 951410020 /nfs/dbraw/zinc/41/00/20/951410020.db2.gz YLMHMHBCNJJOQD-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575044279 951410030 /nfs/dbraw/zinc/41/00/30/951410030.db2.gz YLMHMHBCNJJOQD-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575044281 951411192 /nfs/dbraw/zinc/41/11/92/951411192.db2.gz YLMHMHBCNJJOQD-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575044281 951411203 /nfs/dbraw/zinc/41/12/03/951411203.db2.gz YLMHMHBCNJJOQD-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044593 951415356 /nfs/dbraw/zinc/41/53/56/951415356.db2.gz SNIWFOXAIGPZBV-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044593 951415360 /nfs/dbraw/zinc/41/53/60/951415360.db2.gz SNIWFOXAIGPZBV-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575044803 951417923 /nfs/dbraw/zinc/41/79/23/951417923.db2.gz VIIUCYRZANRJJH-NSHDSACASA-N -1 3 382.432 0.596 20 0 GCADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575044803 951417926 /nfs/dbraw/zinc/41/79/26/951417926.db2.gz VIIUCYRZANRJJH-NSHDSACASA-N -1 3 382.432 0.596 20 0 GCADHM C[C@H](CNC(=O)c1cnc2[nH]cnc2c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575044996 951423057 /nfs/dbraw/zinc/42/30/57/951423057.db2.gz YSBVFYGKRUTDMQ-SNVBAGLBSA-N -1 3 378.400 0.788 20 0 GCADHM C[C@H](CNC(=O)c1cnc2[nH]cnc2c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575044996 951423067 /nfs/dbraw/zinc/42/30/67/951423067.db2.gz YSBVFYGKRUTDMQ-SNVBAGLBSA-N -1 3 378.400 0.788 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575045127 951424739 /nfs/dbraw/zinc/42/47/39/951424739.db2.gz ZNMYITRHISNKKY-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575045127 951424748 /nfs/dbraw/zinc/42/47/48/951424748.db2.gz ZNMYITRHISNKKY-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cncc2ncn(C)c21)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575045348 951425114 /nfs/dbraw/zinc/42/51/14/951425114.db2.gz AFAXOHHIWGAWAJ-JTQLQIEISA-N -1 3 378.400 0.774 20 0 GCADHM C[C@@H](CNC(=O)c1cncc2ncn(C)c21)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575045348 951425120 /nfs/dbraw/zinc/42/51/20/951425120.db2.gz AFAXOHHIWGAWAJ-JTQLQIEISA-N -1 3 378.400 0.774 20 0 GCADHM C[C@@](CNC(=O)c1cncnc1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575045939 951435818 /nfs/dbraw/zinc/43/58/18/951435818.db2.gz JTQPMMYSHTYKMW-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cncnc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575045939 951435821 /nfs/dbraw/zinc/43/58/21/951435821.db2.gz JTQPMMYSHTYKMW-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cncnc1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575045941 951436221 /nfs/dbraw/zinc/43/62/21/951436221.db2.gz JTQPMMYSHTYKMW-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cncnc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575045941 951436233 /nfs/dbraw/zinc/43/62/33/951436233.db2.gz JTQPMMYSHTYKMW-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1N)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575052468 951465872 /nfs/dbraw/zinc/46/58/72/951465872.db2.gz JWZLJCZQJAGLOI-SNVBAGLBSA-N -1 3 387.423 0.572 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575053410 951478111 /nfs/dbraw/zinc/47/81/11/951478111.db2.gz CGATVTBBZQFCEI-SNVBAGLBSA-N -1 3 383.416 0.350 20 0 GCADHM C[C@H](CNC(=O)c1cnn(CC2CC2)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575053410 951478119 /nfs/dbraw/zinc/47/81/19/951478119.db2.gz CGATVTBBZQFCEI-SNVBAGLBSA-N -1 3 383.416 0.350 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575054526 951491157 /nfs/dbraw/zinc/49/11/57/951491157.db2.gz XSPMMLKFVKXJNJ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575054526 951491168 /nfs/dbraw/zinc/49/11/68/951491168.db2.gz XSPMMLKFVKXJNJ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCC2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055422 951505956 /nfs/dbraw/zinc/50/59/56/951505956.db2.gz SYXJWDMRDFALPO-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cnn2c1CCC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055422 951505968 /nfs/dbraw/zinc/50/59/68/951505968.db2.gz SYXJWDMRDFALPO-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575056303 951518091 /nfs/dbraw/zinc/51/80/91/951518091.db2.gz GZHWMKYUTIDPBO-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575056303 951518097 /nfs/dbraw/zinc/51/80/97/951518097.db2.gz GZHWMKYUTIDPBO-VIFPVBQESA-N -1 3 384.400 0.999 20 0 GCADHM C[C@@H](CNC(=O)c1csc(=O)[nH]1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575057003 951525739 /nfs/dbraw/zinc/52/57/39/951525739.db2.gz NSUARFDXETYVPZ-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575060619 951542286 /nfs/dbraw/zinc/54/22/86/951542286.db2.gz BISRBFYXCFKGSA-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575060619 951542298 /nfs/dbraw/zinc/54/22/98/951542298.db2.gz BISRBFYXCFKGSA-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575060875 951549073 /nfs/dbraw/zinc/54/90/73/951549073.db2.gz IOUVCYXELPAELE-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1csc(Cl)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575060875 951549080 /nfs/dbraw/zinc/54/90/80/951549080.db2.gz IOUVCYXELPAELE-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575061900 951563754 /nfs/dbraw/zinc/56/37/54/951563754.db2.gz QNNNDFZMYROTAA-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575061900 951563765 /nfs/dbraw/zinc/56/37/65/951563765.db2.gz QNNNDFZMYROTAA-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575062826 951574101 /nfs/dbraw/zinc/57/41/01/951574101.db2.gz ZEDQBKUFZFAIGU-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1ncc(Cl)s1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575062826 951574108 /nfs/dbraw/zinc/57/41/08/951574108.db2.gz ZEDQBKUFZFAIGU-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575065336 951584928 /nfs/dbraw/zinc/58/49/28/951584928.db2.gz GFVVDAPSKCQJCR-SECBINFHSA-N -1 3 385.384 0.409 20 0 GCADHM C[C@H](CNC(=O)c1occ2c1CCOC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575065336 951584941 /nfs/dbraw/zinc/58/49/41/951584941.db2.gz GFVVDAPSKCQJCR-SECBINFHSA-N -1 3 385.384 0.409 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575066346 951594221 /nfs/dbraw/zinc/59/42/21/951594221.db2.gz KKOCJRFSILSEMY-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575066346 951594228 /nfs/dbraw/zinc/59/42/28/951594228.db2.gz KKOCJRFSILSEMY-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575067371 951608382 /nfs/dbraw/zinc/60/83/82/951608382.db2.gz RQECDPFYLGTZRZ-MRVPVSSYSA-N -1 3 388.363 0.692 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575067371 951608394 /nfs/dbraw/zinc/60/83/94/951608394.db2.gz RQECDPFYLGTZRZ-MRVPVSSYSA-N -1 3 388.363 0.692 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C)n1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575067356 951608656 /nfs/dbraw/zinc/60/86/56/951608656.db2.gz LCILMVVCHMRFOZ-QMMMGPOBSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C)n1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575067356 951608666 /nfs/dbraw/zinc/60/86/66/951608666.db2.gz LCILMVVCHMRFOZ-QMMMGPOBSA-N -1 3 376.812 0.522 20 0 GCADHM C[C@@H](CNC(=O)c1scnc1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575069927 951649212 /nfs/dbraw/zinc/64/92/12/951649212.db2.gz NUOJVTTUUTXASS-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1scnc1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575069927 951649217 /nfs/dbraw/zinc/64/92/17/951649217.db2.gz NUOJVTTUUTXASS-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNCc1nnnn1C(C)(C)C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116226 951968671 /nfs/dbraw/zinc/96/86/71/951968671.db2.gz BIFGUCSXYVYQDV-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNCc1nnnn1C(C)(C)C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575116226 951968682 /nfs/dbraw/zinc/96/86/82/951968682.db2.gz BIFGUCSXYVYQDV-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNCc1nn(C)cc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575116126 951968948 /nfs/dbraw/zinc/96/89/48/951968948.db2.gz AECBNHWVYLRUTQ-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNCc1nn(C)cc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575116126 951968955 /nfs/dbraw/zinc/96/89/55/951968955.db2.gz AECBNHWVYLRUTQ-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H](CNCc1nnsc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575116262 951970725 /nfs/dbraw/zinc/97/07/25/951970725.db2.gz BUPQHSARAZXINU-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@@H](CNCc1nnsc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575116262 951970732 /nfs/dbraw/zinc/97/07/32/951970732.db2.gz BUPQHSARAZXINU-ZETCQYMHSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CNCc1cn(CC2CC2)nn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116502 951970893 /nfs/dbraw/zinc/97/08/93/951970893.db2.gz CXDNZCDWILFZNC-LLVKDONJSA-N -1 3 384.448 0.447 20 0 GCADHM C[C@@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575116973 951975296 /nfs/dbraw/zinc/97/52/96/951975296.db2.gz JPKVUNJRIBHYDK-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575116973 951975306 /nfs/dbraw/zinc/97/53/06/951975306.db2.gz JPKVUNJRIBHYDK-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CNCc1nnn(C(C)(C)C)n1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575117097 951977880 /nfs/dbraw/zinc/97/78/80/951977880.db2.gz LCHGVDVHRNFBQN-SNVBAGLBSA-N -1 3 387.452 0.092 20 0 GCADHM C[C@H](CNCc1nnn(C(C)(C)C)n1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575117097 951977888 /nfs/dbraw/zinc/97/78/88/951977888.db2.gz LCHGVDVHRNFBQN-SNVBAGLBSA-N -1 3 387.452 0.092 20 0 GCADHM C[C@H](CNCc1nsc(N(C)C)n1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575119271 951987426 /nfs/dbraw/zinc/98/74/26/951987426.db2.gz WHZWSUIIQGJMQC-SECBINFHSA-N -1 3 390.477 0.268 20 0 GCADHM C[C@H](CNCc1nsc(N(C)C)n1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575119271 951987434 /nfs/dbraw/zinc/98/74/34/951987434.db2.gz WHZWSUIIQGJMQC-SECBINFHSA-N -1 3 390.477 0.268 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575121445 951997305 /nfs/dbraw/zinc/99/73/05/951997305.db2.gz DUHHMKHBGXIGSO-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575121445 951997308 /nfs/dbraw/zinc/99/73/08/951997308.db2.gz DUHHMKHBGXIGSO-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575122226 952002097 /nfs/dbraw/zinc/00/20/97/952002097.db2.gz KMDCCIZHMJOFAB-JSGCOSHPSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575122226 952002106 /nfs/dbraw/zinc/00/21/06/952002106.db2.gz KMDCCIZHMJOFAB-JSGCOSHPSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575123426 952014723 /nfs/dbraw/zinc/01/47/23/952014723.db2.gz CZNGSVNPKLPCEV-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575123426 952014733 /nfs/dbraw/zinc/01/47/33/952014733.db2.gz CZNGSVNPKLPCEV-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575123495 952015286 /nfs/dbraw/zinc/01/52/86/952015286.db2.gz DPDPFBCHQMPUOG-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575123495 952015298 /nfs/dbraw/zinc/01/52/98/952015298.db2.gz DPDPFBCHQMPUOG-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575124024 952020949 /nfs/dbraw/zinc/02/09/49/952020949.db2.gz FGGKNDGOANZAMF-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575124024 952020957 /nfs/dbraw/zinc/02/09/57/952020957.db2.gz FGGKNDGOANZAMF-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575124028 952020986 /nfs/dbraw/zinc/02/09/86/952020986.db2.gz FGGKNDGOANZAMF-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575124028 952020999 /nfs/dbraw/zinc/02/09/99/952020999.db2.gz FGGKNDGOANZAMF-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575124034 952021635 /nfs/dbraw/zinc/02/16/35/952021635.db2.gz FGNVAYKOBAVIJY-VOJFVSQTSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575124034 952021649 /nfs/dbraw/zinc/02/16/49/952021649.db2.gz FGNVAYKOBAVIJY-VOJFVSQTSA-N -1 3 385.428 0.912 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575123783 952023080 /nfs/dbraw/zinc/02/30/80/952023080.db2.gz RELOBUJRKNRVGY-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575123783 952023089 /nfs/dbraw/zinc/02/30/89/952023089.db2.gz RELOBUJRKNRVGY-ADLMAVQZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575125203 952041336 /nfs/dbraw/zinc/04/13/36/952041336.db2.gz NJGOGUQHHWLMBV-JTQLQIEISA-N -1 3 385.436 0.576 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575125203 952041341 /nfs/dbraw/zinc/04/13/41/952041341.db2.gz NJGOGUQHHWLMBV-JTQLQIEISA-N -1 3 385.436 0.576 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575125613 952044115 /nfs/dbraw/zinc/04/41/15/952044115.db2.gz OZAFGZBYGNUWAB-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001575125613 952044118 /nfs/dbraw/zinc/04/41/18/952044118.db2.gz OZAFGZBYGNUWAB-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575125675 952047871 /nfs/dbraw/zinc/04/78/71/952047871.db2.gz PQCNVRHEKFRHGC-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575125675 952047879 /nfs/dbraw/zinc/04/78/79/952047879.db2.gz PQCNVRHEKFRHGC-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1nc2ncccn2n1 ZINC001575127569 952057203 /nfs/dbraw/zinc/05/72/03/952057203.db2.gz YLVUBQHEXCYJGN-SNVBAGLBSA-N -1 3 379.388 0.272 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1nc2ncccn2n1 ZINC001575127569 952057211 /nfs/dbraw/zinc/05/72/11/952057211.db2.gz YLVUBQHEXCYJGN-SNVBAGLBSA-N -1 3 379.388 0.272 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575127611 952060198 /nfs/dbraw/zinc/06/01/98/952060198.db2.gz ZBALKQRSKRNGKE-JQWIXIFHSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575127611 952060203 /nfs/dbraw/zinc/06/02/03/952060203.db2.gz ZBALKQRSKRNGKE-JQWIXIFHSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575127745 952060656 /nfs/dbraw/zinc/06/06/56/952060656.db2.gz CJYQDSOETWENHT-LLVKDONJSA-N -1 3 385.432 0.884 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575127745 952060666 /nfs/dbraw/zinc/06/06/66/952060666.db2.gz CJYQDSOETWENHT-LLVKDONJSA-N -1 3 385.432 0.884 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575127750 952060725 /nfs/dbraw/zinc/06/07/25/952060725.db2.gz CJYQDSOETWENHT-NSHDSACASA-N -1 3 385.432 0.884 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575127750 952060739 /nfs/dbraw/zinc/06/07/39/952060739.db2.gz CJYQDSOETWENHT-NSHDSACASA-N -1 3 385.432 0.884 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575128411 952066433 /nfs/dbraw/zinc/06/64/33/952066433.db2.gz HZHWYTYRLQQKPZ-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cc2n(n1)CCCO2 ZINC001575128411 952066443 /nfs/dbraw/zinc/06/64/43/952066443.db2.gz HZHWYTYRLQQKPZ-NSHDSACASA-N -1 3 383.416 0.813 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575129018 952074364 /nfs/dbraw/zinc/07/43/64/952074364.db2.gz ORZJPMDHXBQFQK-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575129018 952074372 /nfs/dbraw/zinc/07/43/72/952074372.db2.gz ORZJPMDHXBQFQK-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575129192 952077055 /nfs/dbraw/zinc/07/70/55/952077055.db2.gz QTFZJZOZDRNHAJ-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575129192 952077062 /nfs/dbraw/zinc/07/70/62/952077062.db2.gz QTFZJZOZDRNHAJ-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575129529 952082435 /nfs/dbraw/zinc/08/24/35/952082435.db2.gz UVFUFRDWMBURSM-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001575129529 952082443 /nfs/dbraw/zinc/08/24/43/952082443.db2.gz UVFUFRDWMBURSM-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575129658 952082885 /nfs/dbraw/zinc/08/28/85/952082885.db2.gz YEJJLYYMSKPWDW-JTQLQIEISA-N -1 3 385.436 0.576 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001575129658 952082893 /nfs/dbraw/zinc/08/28/93/952082893.db2.gz YEJJLYYMSKPWDW-JTQLQIEISA-N -1 3 385.436 0.576 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575131728 952089147 /nfs/dbraw/zinc/08/91/47/952089147.db2.gz ATUPONTVHYPQEX-MNOVXSKESA-N -1 3 382.432 0.444 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001575134442 952110415 /nfs/dbraw/zinc/11/04/15/952110415.db2.gz IDRSJBOEYWXFRK-SMDDNHRTSA-N -1 3 377.424 0.595 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001575134442 952110421 /nfs/dbraw/zinc/11/04/21/952110421.db2.gz IDRSJBOEYWXFRK-SMDDNHRTSA-N -1 3 377.424 0.595 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001575134434 952111005 /nfs/dbraw/zinc/11/10/05/952111005.db2.gz IDRSJBOEYWXFRK-BXUZGUMPSA-N -1 3 377.424 0.595 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001575134434 952111010 /nfs/dbraw/zinc/11/10/10/952111010.db2.gz IDRSJBOEYWXFRK-BXUZGUMPSA-N -1 3 377.424 0.595 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575137307 952136240 /nfs/dbraw/zinc/13/62/40/952136240.db2.gz WKDGLBMBCFNJGM-GHMZBOCLSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575137307 952136246 /nfs/dbraw/zinc/13/62/46/952136246.db2.gz WKDGLBMBCFNJGM-GHMZBOCLSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575153543 952209710 /nfs/dbraw/zinc/20/97/10/952209710.db2.gz IELGOAQKMGNDDK-INIZCTEOSA-N -1 3 382.388 0.163 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575154536 952226525 /nfs/dbraw/zinc/22/65/25/952226525.db2.gz RXVMMUGLRZJASJ-VXGBXAGGSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1cccn(C)c1=O ZINC001575163513 952278878 /nfs/dbraw/zinc/27/88/78/952278878.db2.gz CAEHUEPZVFBKPD-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cccn(C)c1=O ZINC001575163513 952278885 /nfs/dbraw/zinc/27/88/85/952278885.db2.gz CAEHUEPZVFBKPD-JTQLQIEISA-N -1 3 386.391 0.672 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575163758 952282388 /nfs/dbraw/zinc/28/23/88/952282388.db2.gz FZFJOIUWERZLID-FZKQIMNGSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575163758 952282396 /nfs/dbraw/zinc/28/23/96/952282396.db2.gz FZFJOIUWERZLID-FZKQIMNGSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575163773 952282710 /nfs/dbraw/zinc/28/27/10/952282710.db2.gz GCZVMMRFMBLHRG-JOYOIKCWSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575163773 952282717 /nfs/dbraw/zinc/28/27/17/952282717.db2.gz GCZVMMRFMBLHRG-JOYOIKCWSA-N -1 3 376.396 0.280 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCCn1cncn1 ZINC001575164158 952288438 /nfs/dbraw/zinc/28/84/38/952288438.db2.gz IYLDNWWCWWCVRT-LLVKDONJSA-N -1 3 388.411 0.732 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCCn1cncn1 ZINC001575164158 952288445 /nfs/dbraw/zinc/28/84/45/952288445.db2.gz IYLDNWWCWWCVRT-LLVKDONJSA-N -1 3 388.411 0.732 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575164262 952289882 /nfs/dbraw/zinc/28/98/82/952289882.db2.gz JVQMCAKHOBGKIK-KOLCDFICSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575164262 952289886 /nfs/dbraw/zinc/28/98/86/952289886.db2.gz JVQMCAKHOBGKIK-KOLCDFICSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)N(C)C(=O)Cc1nnc[nH]1 ZINC001575164320 952292007 /nfs/dbraw/zinc/29/20/07/952292007.db2.gz CZYGODNBJQPCFJ-LURJTMIESA-N -1 3 382.841 0.596 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1cccc(=O)n1C ZINC001575164645 952295529 /nfs/dbraw/zinc/29/55/29/952295529.db2.gz MFJMRPBJEKFREZ-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1cccc(=O)n1C ZINC001575164645 952295536 /nfs/dbraw/zinc/29/55/36/952295536.db2.gz MFJMRPBJEKFREZ-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)Cn1cncn1 ZINC001575165056 952302125 /nfs/dbraw/zinc/30/21/25/952302125.db2.gz KBOANEVXTDEIDF-SECBINFHSA-N -1 3 376.812 0.466 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)Cn1cncn1 ZINC001575165056 952302132 /nfs/dbraw/zinc/30/21/32/952302132.db2.gz KBOANEVXTDEIDF-SECBINFHSA-N -1 3 376.812 0.466 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1COCCO1 ZINC001575165025 952302362 /nfs/dbraw/zinc/30/23/62/952302362.db2.gz JOPCOCRKQIERDG-JOYOIKCWSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1COCCO1 ZINC001575165025 952302369 /nfs/dbraw/zinc/30/23/69/952302369.db2.gz JOPCOCRKQIERDG-JOYOIKCWSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575165064 952302886 /nfs/dbraw/zinc/30/28/86/952302886.db2.gz KDGRILHFHOPCDX-GUYCJALGSA-N -1 3 391.407 0.513 20 0 GCADHM C[C@@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575165064 952302893 /nfs/dbraw/zinc/30/28/93/952302893.db2.gz KDGRILHFHOPCDX-GUYCJALGSA-N -1 3 391.407 0.513 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575165548 952310150 /nfs/dbraw/zinc/31/01/50/952310150.db2.gz OOGHEPLJDWUWJB-MWLCHTKSSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575165548 952310157 /nfs/dbraw/zinc/31/01/57/952310157.db2.gz OOGHEPLJDWUWJB-MWLCHTKSSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575165438 952310783 /nfs/dbraw/zinc/31/07/83/952310783.db2.gz TVVDEECJUBTESB-GHMZBOCLSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575165438 952310791 /nfs/dbraw/zinc/31/07/91/952310791.db2.gz TVVDEECJUBTESB-GHMZBOCLSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575165932 952318911 /nfs/dbraw/zinc/31/89/11/952318911.db2.gz XEQKWAVVIVPUKO-GWCFXTLKSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575165932 952318920 /nfs/dbraw/zinc/31/89/20/952318920.db2.gz XEQKWAVVIVPUKO-GWCFXTLKSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575165984 952319125 /nfs/dbraw/zinc/31/91/25/952319125.db2.gz RMSHHHIDTWZBCD-YVEFUNNKSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575165984 952319129 /nfs/dbraw/zinc/31/91/29/952319129.db2.gz RMSHHHIDTWZBCD-YVEFUNNKSA-N -1 3 388.407 0.376 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575166951 952329727 /nfs/dbraw/zinc/32/97/27/952329727.db2.gz AWWKRENOCNJCJO-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575166951 952329736 /nfs/dbraw/zinc/32/97/36/952329736.db2.gz AWWKRENOCNJCJO-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575167491 952334922 /nfs/dbraw/zinc/33/49/22/952334922.db2.gz HEEUQTXXPWPVEF-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001575167491 952334928 /nfs/dbraw/zinc/33/49/28/952334928.db2.gz HEEUQTXXPWPVEF-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575167547 952338257 /nfs/dbraw/zinc/33/82/57/952338257.db2.gz HVROFRXKWRMUIG-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575167547 952338264 /nfs/dbraw/zinc/33/82/64/952338264.db2.gz HVROFRXKWRMUIG-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575170056 952351996 /nfs/dbraw/zinc/35/19/96/952351996.db2.gz WDRSAWNFBBZIJE-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575170056 952352001 /nfs/dbraw/zinc/35/20/01/952352001.db2.gz WDRSAWNFBBZIJE-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575170055 952352119 /nfs/dbraw/zinc/35/21/19/952352119.db2.gz WDRSAWNFBBZIJE-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001575170055 952352127 /nfs/dbraw/zinc/35/21/27/952352127.db2.gz WDRSAWNFBBZIJE-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)c1nccnc1N)C1CC1 ZINC001575170058 952352528 /nfs/dbraw/zinc/35/25/28/952352528.db2.gz WFUAECRDTLGKFQ-KRWDZBQOSA-N -1 3 380.416 0.645 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)c1nccnc1N)C1CC1 ZINC001575170058 952352536 /nfs/dbraw/zinc/35/25/36/952352536.db2.gz WFUAECRDTLGKFQ-KRWDZBQOSA-N -1 3 380.416 0.645 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575170023 952353182 /nfs/dbraw/zinc/35/31/82/952353182.db2.gz VMTCVNFVKFLDRI-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575170023 952353189 /nfs/dbraw/zinc/35/31/89/952353189.db2.gz VMTCVNFVKFLDRI-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575170224 952353698 /nfs/dbraw/zinc/35/36/98/952353698.db2.gz WOMZYEHSIOPRAZ-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575170224 952353701 /nfs/dbraw/zinc/35/37/01/952353701.db2.gz WOMZYEHSIOPRAZ-CYBMUJFWSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575170319 952354963 /nfs/dbraw/zinc/35/49/63/952354963.db2.gz XHHHKXVITKFEAS-UKTARXLSSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575170319 952354975 /nfs/dbraw/zinc/35/49/75/952354975.db2.gz XHHHKXVITKFEAS-UKTARXLSSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575184688 952421952 /nfs/dbraw/zinc/42/19/52/952421952.db2.gz ACPHWSKKEFEIAE-SNVBAGLBSA-N -1 3 384.437 0.239 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575184688 952421957 /nfs/dbraw/zinc/42/19/57/952421957.db2.gz ACPHWSKKEFEIAE-SNVBAGLBSA-N -1 3 384.437 0.239 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575184808 952423958 /nfs/dbraw/zinc/42/39/58/952423958.db2.gz CXSBMKBFIOQOCG-LBPRGKRZSA-N -1 3 392.485 0.190 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575184808 952423963 /nfs/dbraw/zinc/42/39/63/952423963.db2.gz CXSBMKBFIOQOCG-LBPRGKRZSA-N -1 3 392.485 0.190 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001575184879 952425296 /nfs/dbraw/zinc/42/52/96/952425296.db2.gz GENLICJFNLKVGO-CYBMUJFWSA-N -1 3 392.485 0.192 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001575184879 952425303 /nfs/dbraw/zinc/42/53/03/952425303.db2.gz GENLICJFNLKVGO-CYBMUJFWSA-N -1 3 392.485 0.192 20 0 GCADHM C[C@@H](CS(=O)(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1)C1CC1 ZINC001575185140 952429015 /nfs/dbraw/zinc/42/90/15/952429015.db2.gz LPDPHJYOXOROCT-LBPRGKRZSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@@H](CS(=O)(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1)C1CC1 ZINC001575185140 952429018 /nfs/dbraw/zinc/42/90/18/952429018.db2.gz LPDPHJYOXOROCT-LBPRGKRZSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575185343 952433226 /nfs/dbraw/zinc/43/32/26/952433226.db2.gz PRXIJIVTDNKFFV-GHMZBOCLSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575185343 952433227 /nfs/dbraw/zinc/43/32/27/952433227.db2.gz PRXIJIVTDNKFFV-GHMZBOCLSA-N -1 3 381.462 0.201 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001571114293 952452109 /nfs/dbraw/zinc/45/21/09/952452109.db2.gz GABJYACJZAJJSW-GXFFZTMASA-N -1 3 375.364 0.646 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001571114293 952452110 /nfs/dbraw/zinc/45/21/10/952452110.db2.gz GABJYACJZAJJSW-GXFFZTMASA-N -1 3 375.364 0.646 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575191821 952469886 /nfs/dbraw/zinc/46/98/86/952469886.db2.gz YTOXWDBNADSIDQ-NSHDSACASA-N -1 3 383.412 0.949 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575191821 952469888 /nfs/dbraw/zinc/46/98/88/952469888.db2.gz YTOXWDBNADSIDQ-NSHDSACASA-N -1 3 383.412 0.949 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575196866 952477664 /nfs/dbraw/zinc/47/76/64/952477664.db2.gz KGLICRGBJCXRLZ-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575196866 952477667 /nfs/dbraw/zinc/47/76/67/952477667.db2.gz KGLICRGBJCXRLZ-WCQYABFASA-N -1 3 383.412 0.997 20 0 GCADHM CCC(CC)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001571116828 952477708 /nfs/dbraw/zinc/47/77/08/952477708.db2.gz DEWNZVBHCQRXAB-JSGCOSHPSA-N -1 3 375.433 0.323 20 0 GCADHM CCC(CC)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001571116828 952477712 /nfs/dbraw/zinc/47/77/12/952477712.db2.gz DEWNZVBHCQRXAB-JSGCOSHPSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575196913 952477751 /nfs/dbraw/zinc/47/77/51/952477751.db2.gz LBRXSEOSVFFMSS-LLVKDONJSA-N -1 3 383.412 0.855 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575196913 952477755 /nfs/dbraw/zinc/47/77/55/952477755.db2.gz LBRXSEOSVFFMSS-LLVKDONJSA-N -1 3 383.412 0.855 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575196915 952477983 /nfs/dbraw/zinc/47/79/83/952477983.db2.gz LBRXSEOSVFFMSS-NSHDSACASA-N -1 3 383.412 0.855 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575196915 952477988 /nfs/dbraw/zinc/47/79/88/952477988.db2.gz LBRXSEOSVFFMSS-NSHDSACASA-N -1 3 383.412 0.855 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCCOC1 ZINC001571116823 952478083 /nfs/dbraw/zinc/47/80/83/952478083.db2.gz DEFPGQWMQKKWTR-DGCLKSJQSA-N -1 3 375.408 0.912 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCCOC1 ZINC001571116823 952478086 /nfs/dbraw/zinc/47/80/86/952478086.db2.gz DEFPGQWMQKKWTR-DGCLKSJQSA-N -1 3 375.408 0.912 20 0 GCADHM CO[C@H](C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571117330 952480608 /nfs/dbraw/zinc/48/06/08/952480608.db2.gz JNPWUDWSNNFCBX-OLZOCXBDSA-N -1 3 375.433 0.634 20 0 GCADHM CO[C@H](C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571117330 952480611 /nfs/dbraw/zinc/48/06/11/952480611.db2.gz JNPWUDWSNNFCBX-OLZOCXBDSA-N -1 3 375.433 0.634 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CC1CS(=O)(=O)C1 ZINC001571117183 952480734 /nfs/dbraw/zinc/48/07/34/952480734.db2.gz ICTRBYDFRCBEDQ-UHFFFAOYSA-N -1 3 375.414 0.610 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CC1CS(=O)(=O)C1 ZINC001571117183 952480736 /nfs/dbraw/zinc/48/07/36/952480736.db2.gz ICTRBYDFRCBEDQ-UHFFFAOYSA-N -1 3 375.414 0.610 20 0 GCADHM CO[C@@H](C)C(=O)N1CCC([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571117384 952481609 /nfs/dbraw/zinc/48/16/09/952481609.db2.gz KVCUJWMKWZYMHV-MNOVXSKESA-N -1 3 375.433 0.587 20 0 GCADHM CO[C@@H](C)C(=O)N1CCC([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571117384 952481613 /nfs/dbraw/zinc/48/16/13/952481613.db2.gz KVCUJWMKWZYMHV-MNOVXSKESA-N -1 3 375.433 0.587 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)c1-c1nnn[n-]1 ZINC001571117561 952482959 /nfs/dbraw/zinc/48/29/59/952482959.db2.gz NDKIJJNMGONIJQ-QMMMGPOBSA-N -1 3 375.418 0.079 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)c1-c1nn[n-]n1 ZINC001571117561 952482968 /nfs/dbraw/zinc/48/29/68/952482968.db2.gz NDKIJJNMGONIJQ-QMMMGPOBSA-N -1 3 375.418 0.079 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571118059 952485231 /nfs/dbraw/zinc/48/52/31/952485231.db2.gz TXLYLCSLQSWWCW-GXTWGEPZSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571118059 952485233 /nfs/dbraw/zinc/48/52/33/952485233.db2.gz TXLYLCSLQSWWCW-GXTWGEPZSA-N -1 3 375.433 0.323 20 0 GCADHM COc1cc(C(=O)N[C@H](CO)[C@H](O)C2CCCCC2)ccc1-c1nnn[n-]1 ZINC001571117984 952485366 /nfs/dbraw/zinc/48/53/66/952485366.db2.gz RQIXOLZAVWMGMY-GDBMZVCRSA-N -1 3 375.429 0.907 20 0 GCADHM COc1cc(C(=O)N[C@H](CO)[C@H](O)C2CCCCC2)ccc1-c1nn[n-]n1 ZINC001571117984 952485373 /nfs/dbraw/zinc/48/53/73/952485373.db2.gz RQIXOLZAVWMGMY-GDBMZVCRSA-N -1 3 375.429 0.907 20 0 GCADHM C[C@H]1CO[C@H](C(=O)NC2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC001571118045 952485650 /nfs/dbraw/zinc/48/56/50/952485650.db2.gz SIGHITBTGFPKMR-YGRLFVJLSA-N -1 3 375.408 0.911 20 0 GCADHM C[C@H]1CO[C@H](C(=O)NC2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001571118045 952485653 /nfs/dbraw/zinc/48/56/53/952485653.db2.gz SIGHITBTGFPKMR-YGRLFVJLSA-N -1 3 375.408 0.911 20 0 GCADHM CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575199286 952487935 /nfs/dbraw/zinc/48/79/35/952487935.db2.gz BKFZOYVNDKCVFO-SMDDNHRTSA-N -1 3 384.448 0.811 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575199310 952488193 /nfs/dbraw/zinc/48/81/93/952488193.db2.gz CCYJNFINTMEZIF-NWDGAFQWSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575199310 952488197 /nfs/dbraw/zinc/48/81/97/952488197.db2.gz CCYJNFINTMEZIF-NWDGAFQWSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575199311 952488950 /nfs/dbraw/zinc/48/89/50/952488950.db2.gz CCYJNFINTMEZIF-RYUDHWBXSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575199311 952488952 /nfs/dbraw/zinc/48/89/52/952488952.db2.gz CCYJNFINTMEZIF-RYUDHWBXSA-N -1 3 382.432 0.344 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1)c1ncccc1-c1nnn[n-]1 ZINC001571118712 952489116 /nfs/dbraw/zinc/48/91/16/952489116.db2.gz YYLFEEYUOSIUNB-YVEFUNNKSA-N -1 3 375.408 0.675 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1)c1ncccc1-c1nn[n-]n1 ZINC001571118712 952489118 /nfs/dbraw/zinc/48/91/18/952489118.db2.gz YYLFEEYUOSIUNB-YVEFUNNKSA-N -1 3 375.408 0.675 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575199651 952489329 /nfs/dbraw/zinc/48/93/29/952489329.db2.gz DTHNLKIESFGFGI-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575199651 952489336 /nfs/dbraw/zinc/48/93/36/952489336.db2.gz DTHNLKIESFGFGI-LLVKDONJSA-N -1 3 382.432 0.344 20 0 GCADHM O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H](F)C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571118740 952489874 /nfs/dbraw/zinc/48/98/74/952489874.db2.gz ZPSGEEXFLYSJRY-DDHJBXDOSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H](F)C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571118740 952489877 /nfs/dbraw/zinc/48/98/77/952489877.db2.gz ZPSGEEXFLYSJRY-DDHJBXDOSA-N -1 3 375.408 0.958 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575199612 952490019 /nfs/dbraw/zinc/49/00/19/952490019.db2.gz DJCGMIIUYUEZCI-ZWNOBZJWSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575199612 952490022 /nfs/dbraw/zinc/49/00/22/952490022.db2.gz DJCGMIIUYUEZCI-ZWNOBZJWSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575199723 952490233 /nfs/dbraw/zinc/49/02/33/952490233.db2.gz FBFKLJXPABUFGN-CYBMUJFWSA-N -1 3 380.456 0.779 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575199723 952490237 /nfs/dbraw/zinc/49/02/37/952490237.db2.gz FBFKLJXPABUFGN-CYBMUJFWSA-N -1 3 380.456 0.779 20 0 GCADHM O=C(N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1)[C@]12C[C@H]1COC2 ZINC001571119463 952490497 /nfs/dbraw/zinc/49/04/97/952490497.db2.gz BKJNXLNGSZNELN-ZBEGNZNMSA-N -1 3 375.820 0.600 20 0 GCADHM O=C(N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1)[C@]12C[C@H]1COC2 ZINC001571119463 952490499 /nfs/dbraw/zinc/49/04/99/952490499.db2.gz BKJNXLNGSZNELN-ZBEGNZNMSA-N -1 3 375.820 0.600 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200194 952492665 /nfs/dbraw/zinc/49/26/65/952492665.db2.gz ABTUTSHBANRDOC-WCQYABFASA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200194 952492671 /nfs/dbraw/zinc/49/26/71/952492671.db2.gz ABTUTSHBANRDOC-WCQYABFASA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200042 952492983 /nfs/dbraw/zinc/49/29/83/952492983.db2.gz GZWMLWIAQIEFGL-NWDGAFQWSA-N -1 3 382.432 0.201 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001575200283 952494423 /nfs/dbraw/zinc/49/44/23/952494423.db2.gz ICULZYHOGPVXHA-NQBHXWOUSA-N -1 3 382.432 0.200 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001575200283 952494427 /nfs/dbraw/zinc/49/44/27/952494427.db2.gz ICULZYHOGPVXHA-NQBHXWOUSA-N -1 3 382.432 0.200 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001571119812 952495301 /nfs/dbraw/zinc/49/53/01/952495301.db2.gz GGVSQEREWYREKR-CHWSQXEVSA-N -1 3 376.417 0.720 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1C[C@H](CO)[C@H](CCO)C1 ZINC001571119812 952495305 /nfs/dbraw/zinc/49/53/05/952495305.db2.gz GGVSQEREWYREKR-CHWSQXEVSA-N -1 3 376.417 0.720 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200741 952498195 /nfs/dbraw/zinc/49/81/95/952498195.db2.gz LHAQRMITHHOPPS-NEPJUHHUSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200741 952498197 /nfs/dbraw/zinc/49/81/97/952498197.db2.gz LHAQRMITHHOPPS-NEPJUHHUSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2ccnc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001575200668 952498231 /nfs/dbraw/zinc/49/82/31/952498231.db2.gz KETFGPKACLFKGM-DMDPSCGWSA-N -1 3 382.432 0.200 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575200668 952498235 /nfs/dbraw/zinc/49/82/35/952498235.db2.gz KETFGPKACLFKGM-DMDPSCGWSA-N -1 3 382.432 0.200 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575201196 952501634 /nfs/dbraw/zinc/50/16/34/952501634.db2.gz OBYGDVXPZRLLLQ-IJLUTSLNSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575201196 952501638 /nfs/dbraw/zinc/50/16/38/952501638.db2.gz OBYGDVXPZRLLLQ-IJLUTSLNSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001575201204 952501885 /nfs/dbraw/zinc/50/18/85/952501885.db2.gz OBYGDVXPZRLLLQ-VOMCLLRMSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001575201204 952501888 /nfs/dbraw/zinc/50/18/88/952501888.db2.gz OBYGDVXPZRLLLQ-VOMCLLRMSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001575201268 952502359 /nfs/dbraw/zinc/50/23/59/952502359.db2.gz HYCPVIIJVOIDMO-LBPRGKRZSA-N -1 3 382.432 0.297 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001575201268 952502361 /nfs/dbraw/zinc/50/23/61/952502361.db2.gz HYCPVIIJVOIDMO-LBPRGKRZSA-N -1 3 382.432 0.297 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575201986 952508985 /nfs/dbraw/zinc/50/89/85/952508985.db2.gz KPAJRHNRCAMCQR-GFCCVEGCSA-N -1 3 382.432 0.297 20 0 GCADHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)C1=CN(C)S(=O)(=O)N=C1C ZINC001571120847 952510531 /nfs/dbraw/zinc/51/05/31/952510531.db2.gz RKIILKTZDIOJDK-UHFFFAOYSA-N -1 3 376.402 0.382 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575202291 952511122 /nfs/dbraw/zinc/51/11/22/952511122.db2.gz VCPFYKSMJHCRDO-VXGBXAGGSA-N -1 3 382.432 0.201 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575202291 952511126 /nfs/dbraw/zinc/51/11/26/952511126.db2.gz VCPFYKSMJHCRDO-VXGBXAGGSA-N -1 3 382.432 0.201 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001575202186 952511735 /nfs/dbraw/zinc/51/17/35/952511735.db2.gz SQMYETGSGOWOQU-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001575202186 952511742 /nfs/dbraw/zinc/51/17/42/952511742.db2.gz SQMYETGSGOWOQU-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575202468 952512869 /nfs/dbraw/zinc/51/28/69/952512869.db2.gz OEEKLNCQCLJTOO-VXGBXAGGSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575202468 952512877 /nfs/dbraw/zinc/51/28/77/952512877.db2.gz OEEKLNCQCLJTOO-VXGBXAGGSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@]1(C)CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575202519 952513675 /nfs/dbraw/zinc/51/36/75/952513675.db2.gz OSQSHXHPKHPRLQ-PIGZYNQJSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575202519 952513680 /nfs/dbraw/zinc/51/36/80/952513680.db2.gz OSQSHXHPKHPRLQ-PIGZYNQJSA-N -1 3 382.432 0.344 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCc1noc2c1COCC2 ZINC001571121111 952515234 /nfs/dbraw/zinc/51/52/34/952515234.db2.gz WMIYLVHXQPRDJR-UHFFFAOYSA-N -1 3 376.398 0.547 20 0 GCADHM CCOC(=O)C1([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)[nH]c2C)CCOCC1 ZINC001571121170 952515857 /nfs/dbraw/zinc/51/58/57/952515857.db2.gz XBBCGESQPFBDEJ-NSHDSACASA-N -1 3 376.417 0.981 20 0 GCADHM CCOC(=O)C1([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CCOCC1 ZINC001571121170 952515866 /nfs/dbraw/zinc/51/58/66/952515866.db2.gz XBBCGESQPFBDEJ-NSHDSACASA-N -1 3 376.417 0.981 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001575203545 952524513 /nfs/dbraw/zinc/52/45/13/952524513.db2.gz ZORIZMYVHQVCHH-YPMHNXCESA-N -1 3 382.432 0.083 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575203545 952524517 /nfs/dbraw/zinc/52/45/17/952524517.db2.gz ZORIZMYVHQVCHH-YPMHNXCESA-N -1 3 382.432 0.083 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571123142 952528937 /nfs/dbraw/zinc/52/89/37/952528937.db2.gz QCYRACJVETWSOF-VXGBXAGGSA-N -1 3 376.442 0.382 20 0 GCADHM Cc1nc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)ccc1-c1nnn[n-]1 ZINC001571123415 952530217 /nfs/dbraw/zinc/53/02/17/952530217.db2.gz ROWKHWAFCUXBRM-UHFFFAOYSA-N -1 3 376.442 0.754 20 0 GCADHM Cc1nc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)ccc1-c1nn[n-]n1 ZINC001571123415 952530219 /nfs/dbraw/zinc/53/02/19/952530219.db2.gz ROWKHWAFCUXBRM-UHFFFAOYSA-N -1 3 376.442 0.754 20 0 GCADHM O=C(CCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)Nc1ccncc1 ZINC001571124533 952540261 /nfs/dbraw/zinc/54/02/61/952540261.db2.gz LZKCPUBJBVALCT-JKSUJKDBSA-N -1 3 377.408 0.932 20 0 GCADHM O=C(CCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)Nc1ccncc1 ZINC001571124533 952540262 /nfs/dbraw/zinc/54/02/62/952540262.db2.gz LZKCPUBJBVALCT-JKSUJKDBSA-N -1 3 377.408 0.932 20 0 GCADHM O=S(=O)(NC[C@H](O)Cc1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001571124557 952541580 /nfs/dbraw/zinc/54/15/80/952541580.db2.gz MSVSZWVANTVZRE-CQSZACIVSA-N -1 3 377.401 0.888 20 0 GCADHM O=S(=O)(NC[C@H](O)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001571124557 952541584 /nfs/dbraw/zinc/54/15/84/952541584.db2.gz MSVSZWVANTVZRE-CQSZACIVSA-N -1 3 377.401 0.888 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC001575211104 952544579 /nfs/dbraw/zinc/54/45/79/952544579.db2.gz NCVHXOGDNMBVLM-NSHDSACASA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC001575211104 952544586 /nfs/dbraw/zinc/54/45/86/952544586.db2.gz NCVHXOGDNMBVLM-NSHDSACASA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1COCCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575211251 952545438 /nfs/dbraw/zinc/54/54/38/952545438.db2.gz PSHSDDNZKUMZDH-GFCCVEGCSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1COCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575211251 952545442 /nfs/dbraw/zinc/54/54/42/952545442.db2.gz PSHSDDNZKUMZDH-GFCCVEGCSA-N -1 3 384.362 0.978 20 0 GCADHM O=C([C@H]1COCCO1)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571124861 952545660 /nfs/dbraw/zinc/54/56/60/952545660.db2.gz WRXQOTGQSOKPDD-WCQYABFASA-N -1 3 377.380 0.219 20 0 GCADHM O=C([C@H]1COCCO1)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571124861 952545663 /nfs/dbraw/zinc/54/56/63/952545663.db2.gz WRXQOTGQSOKPDD-WCQYABFASA-N -1 3 377.380 0.219 20 0 GCADHM Cc1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001571125021 952546289 /nfs/dbraw/zinc/54/62/89/952546289.db2.gz YKLZRTMBEZNYPZ-SECBINFHSA-N -1 3 377.386 0.469 20 0 GCADHM Cc1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001571125021 952546293 /nfs/dbraw/zinc/54/62/93/952546293.db2.gz YKLZRTMBEZNYPZ-SECBINFHSA-N -1 3 377.386 0.469 20 0 GCADHM CN(C)c1ccc(CNS(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)cn1 ZINC001571125059 952547678 /nfs/dbraw/zinc/54/76/78/952547678.db2.gz ZIUCJMICGJKANE-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CN(C)c1ccc(CNS(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)cn1 ZINC001571125059 952547681 /nfs/dbraw/zinc/54/76/81/952547681.db2.gz ZIUCJMICGJKANE-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575211630 952548293 /nfs/dbraw/zinc/54/82/93/952548293.db2.gz WPOSDFRHDAJQGS-LLVKDONJSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575211630 952548301 /nfs/dbraw/zinc/54/83/01/952548301.db2.gz WPOSDFRHDAJQGS-LLVKDONJSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@@H]21 ZINC001575211935 952551571 /nfs/dbraw/zinc/55/15/71/952551571.db2.gz CFTMZZZHFOPPQZ-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@@H]21 ZINC001575211935 952551575 /nfs/dbraw/zinc/55/15/75/952551575.db2.gz CFTMZZZHFOPPQZ-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC[C@@H]21 ZINC001575212292 952552016 /nfs/dbraw/zinc/55/20/16/952552016.db2.gz GPKRGMUNVVYOFB-CABZTGNLSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC[C@@H]21 ZINC001575212292 952552020 /nfs/dbraw/zinc/55/20/20/952552020.db2.gz GPKRGMUNVVYOFB-CABZTGNLSA-N -1 3 379.371 0.913 20 0 GCADHM CC(C)(CNC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12)CS(N)(=O)=O ZINC001571127468 952555272 /nfs/dbraw/zinc/55/52/72/952555272.db2.gz JVXUDFXNAZEDCE-UHFFFAOYSA-N -1 3 377.430 0.393 20 0 GCADHM CC(C)(CNC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12)CS(N)(=O)=O ZINC001571127468 952555274 /nfs/dbraw/zinc/55/52/74/952555274.db2.gz JVXUDFXNAZEDCE-UHFFFAOYSA-N -1 3 377.430 0.393 20 0 GCADHM CC(F)(F)C(=O)N[C@H]1CC12CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CC2 ZINC001575213363 952557986 /nfs/dbraw/zinc/55/79/86/952557986.db2.gz SVMYNUGYHFJZPM-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N[C@H]1CC12CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2 ZINC001575213363 952557994 /nfs/dbraw/zinc/55/79/94/952557994.db2.gz SVMYNUGYHFJZPM-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM Cc1cc(N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ncc1-c1nnn[n-]1 ZINC001571127889 952561033 /nfs/dbraw/zinc/56/10/33/952561033.db2.gz LVKRPPBXOVBGOG-LBPRGKRZSA-N -1 3 377.474 0.868 20 0 GCADHM Cc1cc(N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ncc1-c1nn[n-]n1 ZINC001571127889 952561035 /nfs/dbraw/zinc/56/10/35/952561035.db2.gz LVKRPPBXOVBGOG-LBPRGKRZSA-N -1 3 377.474 0.868 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575214037 952561021 /nfs/dbraw/zinc/56/10/21/952561021.db2.gz FZXZJFQLSGSNQI-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575214037 952561026 /nfs/dbraw/zinc/56/10/26/952561026.db2.gz FZXZJFQLSGSNQI-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575214056 952561093 /nfs/dbraw/zinc/56/10/93/952561093.db2.gz GFWNCGITFKPYMR-VIFPVBQESA-N -1 3 387.366 0.971 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575214056 952561098 /nfs/dbraw/zinc/56/10/98/952561098.db2.gz GFWNCGITFKPYMR-VIFPVBQESA-N -1 3 387.366 0.971 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575214039 952561779 /nfs/dbraw/zinc/56/17/79/952561779.db2.gz FZXZJFQLSGSNQI-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575214039 952561783 /nfs/dbraw/zinc/56/17/83/952561783.db2.gz FZXZJFQLSGSNQI-VIFPVBQESA-N -1 3 385.375 0.083 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)s1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC001571128129 952563341 /nfs/dbraw/zinc/56/33/41/952563341.db2.gz QHUNOHJFGDNGFE-OLZOCXBDSA-N -1 3 377.474 0.669 20 0 GCADHM CC(F)(F)C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C1 ZINC001575214346 952564080 /nfs/dbraw/zinc/56/40/80/952564080.db2.gz XIFSNYUKBMPKNY-KOLCDFICSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C1 ZINC001575214346 952564083 /nfs/dbraw/zinc/56/40/83/952564083.db2.gz XIFSNYUKBMPKNY-KOLCDFICSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575214567 952565007 /nfs/dbraw/zinc/56/50/07/952565007.db2.gz ZEFKPSFKHAFKTR-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575214567 952565012 /nfs/dbraw/zinc/56/50/12/952565012.db2.gz ZEFKPSFKHAFKTR-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1C[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@]2(C)C1 ZINC001575214467 952565474 /nfs/dbraw/zinc/56/54/74/952565474.db2.gz YPHMWFPBPCFHSU-BMIGLBTASA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1C[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@]2(C)C1 ZINC001575214467 952565477 /nfs/dbraw/zinc/56/54/77/952565477.db2.gz YPHMWFPBPCFHSU-BMIGLBTASA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@]2(C)C1 ZINC001575214720 952566173 /nfs/dbraw/zinc/56/61/73/952566173.db2.gz ZEPMZTDPRIFKLQ-BMIGLBTASA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@]2(C)C1 ZINC001575214720 952566176 /nfs/dbraw/zinc/56/61/76/952566176.db2.gz ZEPMZTDPRIFKLQ-BMIGLBTASA-N -1 3 379.371 0.771 20 0 GCADHM COC(=O)[C@H](CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC001571129246 952573915 /nfs/dbraw/zinc/57/39/15/952573915.db2.gz BUKMHADJYVRLKL-BXKDBHETSA-N -1 3 378.364 0.953 20 0 GCADHM COC(=O)[C@H](CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC001571129246 952573918 /nfs/dbraw/zinc/57/39/18/952573918.db2.gz BUKMHADJYVRLKL-BXKDBHETSA-N -1 3 378.364 0.953 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl)[S@@](C)=O ZINC001571129296 952574218 /nfs/dbraw/zinc/57/42/18/952574218.db2.gz CIWXXQWFTJMJKF-CWMRNNLJSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl)[S@@](C)=O ZINC001571129296 952574220 /nfs/dbraw/zinc/57/42/20/952574220.db2.gz CIWXXQWFTJMJKF-CWMRNNLJSA-N -1 3 377.879 0.956 20 0 GCADHM COC(=O)[C@H](CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)[C@@H]1CCOC1 ZINC001571129463 952574383 /nfs/dbraw/zinc/57/43/83/952574383.db2.gz DGZRWWDNYNFHIP-BXKDBHETSA-N -1 3 378.364 0.953 20 0 GCADHM COC(=O)[C@H](CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)[C@@H]1CCOC1 ZINC001571129463 952574387 /nfs/dbraw/zinc/57/43/87/952574387.db2.gz DGZRWWDNYNFHIP-BXKDBHETSA-N -1 3 378.364 0.953 20 0 GCADHM O=C(NCc1ccc(CN2CCNC2=O)cc1)c1cc(-c2nnn[n-]2)ccn1 ZINC001571129960 952577607 /nfs/dbraw/zinc/57/76/07/952577607.db2.gz LWEGRYODEBZXAC-UHFFFAOYSA-N -1 3 378.396 0.717 20 0 GCADHM O=C(NCc1ccc(CN2CCNC2=O)cc1)c1cc(-c2nn[n-]n2)ccn1 ZINC001571129960 952577609 /nfs/dbraw/zinc/57/76/09/952577609.db2.gz LWEGRYODEBZXAC-UHFFFAOYSA-N -1 3 378.396 0.717 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)c1cccc(=O)[nH]1 ZINC001571130538 952580544 /nfs/dbraw/zinc/58/05/44/952580544.db2.gz SMIHMSOHXKEJBM-XYYAHUGASA-N -1 3 378.396 0.475 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)c1cccc(=O)[nH]1 ZINC001571130538 952580549 /nfs/dbraw/zinc/58/05/49/952580549.db2.gz SMIHMSOHXKEJBM-XYYAHUGASA-N -1 3 378.396 0.475 20 0 GCADHM CN1C(=O)CN=C1NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001571130947 952584202 /nfs/dbraw/zinc/58/42/02/952584202.db2.gz ZNFCWSBZIOTZGF-UHFFFAOYSA-N -1 3 378.352 0.612 20 0 GCADHM CN1C(=O)CN=C1NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001571130947 952584210 /nfs/dbraw/zinc/58/42/10/952584210.db2.gz ZNFCWSBZIOTZGF-UHFFFAOYSA-N -1 3 378.352 0.612 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)c1cccc(=O)[nH]1 ZINC001571135773 952608028 /nfs/dbraw/zinc/60/80/28/952608028.db2.gz DCSNVXHSVCXKAP-XBFCOCLRSA-N -1 3 378.396 0.902 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)c1cccc(=O)[nH]1 ZINC001571135773 952608030 /nfs/dbraw/zinc/60/80/30/952608030.db2.gz DCSNVXHSVCXKAP-XBFCOCLRSA-N -1 3 378.396 0.902 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncn1 ZINC001571139128 952619034 /nfs/dbraw/zinc/61/90/34/952619034.db2.gz CMGNPFXOUJJSRY-TXEJJXNPSA-N -1 3 379.384 0.114 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncn1 ZINC001571139128 952619038 /nfs/dbraw/zinc/61/90/38/952619038.db2.gz CMGNPFXOUJJSRY-TXEJJXNPSA-N -1 3 379.384 0.114 20 0 GCADHM CC[C@H](F)C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571139671 952621376 /nfs/dbraw/zinc/62/13/76/952621376.db2.gz KLBFXLLJFDUPJX-RYUDHWBXSA-N -1 3 379.396 0.290 20 0 GCADHM CC[C@H](F)C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571139671 952621378 /nfs/dbraw/zinc/62/13/78/952621378.db2.gz KLBFXLLJFDUPJX-RYUDHWBXSA-N -1 3 379.396 0.290 20 0 GCADHM O=C(NCC1CC(NC(=O)[C@H]2CCC2(F)F)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571140321 952624955 /nfs/dbraw/zinc/62/49/55/952624955.db2.gz PTPDKTJSZNLJCI-UDNWOFFPSA-N -1 3 379.371 0.865 20 0 GCADHM O=C(NCC1CC(NC(=O)[C@H]2CCC2(F)F)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571140321 952624957 /nfs/dbraw/zinc/62/49/57/952624957.db2.gz PTPDKTJSZNLJCI-UDNWOFFPSA-N -1 3 379.371 0.865 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC(NC(=O)[C@H]2CCC2(F)F)C1 ZINC001571140764 952628912 /nfs/dbraw/zinc/62/89/12/952628912.db2.gz SQUXCSCGIUTSMG-UDNWOFFPSA-N -1 3 379.371 0.959 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC(NC(=O)[C@H]2CCC2(F)F)C1 ZINC001571140764 952628916 /nfs/dbraw/zinc/62/89/16/952628916.db2.gz SQUXCSCGIUTSMG-UDNWOFFPSA-N -1 3 379.371 0.959 20 0 GCADHM O=C(NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CC1(F)F ZINC001571140859 952629465 /nfs/dbraw/zinc/62/94/65/952629465.db2.gz UTIHRJNNNIIUSP-NXEZZACHSA-N -1 3 379.371 0.961 20 0 GCADHM O=C(NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CC1(F)F ZINC001571140859 952629467 /nfs/dbraw/zinc/62/94/67/952629467.db2.gz UTIHRJNNNIIUSP-NXEZZACHSA-N -1 3 379.371 0.961 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H]2COCC[C@H]2O)c(-c2nnn[n-]2)c(C)c1C ZINC001571141070 952630772 /nfs/dbraw/zinc/63/07/72/952630772.db2.gz GMRSIGOIOOWBAQ-VXGBXAGGSA-N -1 3 378.458 0.545 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H]2COCC[C@H]2O)c(-c2nn[n-]n2)c(C)c1C ZINC001571141070 952630774 /nfs/dbraw/zinc/63/07/74/952630774.db2.gz GMRSIGOIOOWBAQ-VXGBXAGGSA-N -1 3 378.458 0.545 20 0 GCADHM CC1(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CC(F)(F)C1 ZINC001571141243 952631812 /nfs/dbraw/zinc/63/18/12/952631812.db2.gz WTMXIHZWVBLENV-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC1(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CC(F)(F)C1 ZINC001571141243 952631816 /nfs/dbraw/zinc/63/18/16/952631816.db2.gz WTMXIHZWVBLENV-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001571142277 952639650 /nfs/dbraw/zinc/63/96/50/952639650.db2.gz OBAOBDNMQOPMHF-LBPRGKRZSA-N -1 3 378.458 0.495 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001571142277 952639652 /nfs/dbraw/zinc/63/96/52/952639652.db2.gz OBAOBDNMQOPMHF-LBPRGKRZSA-N -1 3 378.458 0.495 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)c1C ZINC001571142614 952644330 /nfs/dbraw/zinc/64/43/30/952644330.db2.gz YIRSNPNTWQECLM-IAGOWNOFSA-N -1 3 379.424 0.858 20 0 GCADHM Cc1cccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)c1C ZINC001571142614 952644331 /nfs/dbraw/zinc/64/43/31/952644331.db2.gz YIRSNPNTWQECLM-IAGOWNOFSA-N -1 3 379.424 0.858 20 0 GCADHM Cn1nc2c(c1C(=O)N[C@@H]1CCN(c3ccc(-c4nnn[n-]4)cn3)C1)CCC2 ZINC001571146272 952647973 /nfs/dbraw/zinc/64/79/73/952647973.db2.gz FMQKDJKAVWRPIL-GFCCVEGCSA-N -1 3 379.428 0.493 20 0 GCADHM Cn1nc2c(c1C(=O)N[C@@H]1CCN(c3ccc(-c4nn[n-]n4)cn3)C1)CCC2 ZINC001571146272 952647978 /nfs/dbraw/zinc/64/79/78/952647978.db2.gz FMQKDJKAVWRPIL-GFCCVEGCSA-N -1 3 379.428 0.493 20 0 GCADHM O=C([C@H]1CCn2ccnc2C1)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571146257 952648386 /nfs/dbraw/zinc/64/83/86/952648386.db2.gz FEWRQMFOVYFJLZ-STQMWFEESA-N -1 3 379.428 0.734 20 0 GCADHM O=C([C@H]1CCn2ccnc2C1)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571146257 952648389 /nfs/dbraw/zinc/64/83/89/952648389.db2.gz FEWRQMFOVYFJLZ-STQMWFEESA-N -1 3 379.428 0.734 20 0 GCADHM Cn1cncc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001571146536 952648820 /nfs/dbraw/zinc/64/88/20/952648820.db2.gz HZWOZMGOHVINSI-KGLIPLIRSA-N -1 3 379.428 0.879 20 0 GCADHM Cn1cncc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001571146536 952648824 /nfs/dbraw/zinc/64/88/24/952648824.db2.gz HZWOZMGOHVINSI-KGLIPLIRSA-N -1 3 379.428 0.879 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(CC2CC2)c1 ZINC001571146323 952648861 /nfs/dbraw/zinc/64/88/61/952648861.db2.gz GDSAYRARXYDQJD-HNNXBMFYSA-N -1 3 379.428 0.877 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(CC2CC2)c1 ZINC001571146323 952648866 /nfs/dbraw/zinc/64/88/66/952648866.db2.gz GDSAYRARXYDQJD-HNNXBMFYSA-N -1 3 379.428 0.877 20 0 GCADHM O=C(Cn1cccn1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC001571146389 952649018 /nfs/dbraw/zinc/64/90/18/952649018.db2.gz HHPAIKLNSMDNNQ-KBXCAEBGSA-N -1 3 379.428 0.776 20 0 GCADHM O=C(Cn1cccn1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC001571146389 952649022 /nfs/dbraw/zinc/64/90/22/952649022.db2.gz HHPAIKLNSMDNNQ-KBXCAEBGSA-N -1 3 379.428 0.776 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571146299 952649095 /nfs/dbraw/zinc/64/90/95/952649095.db2.gz FUOACPYLQYGJTJ-HIFRSBDPSA-N -1 3 379.428 0.655 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571146303 952649417 /nfs/dbraw/zinc/64/94/17/952649417.db2.gz FUOACPYLQYGJTJ-ZFWWWQNUSA-N -1 3 379.428 0.655 20 0 GCADHM Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ncccc2-c2nnn[n-]2)cn1 ZINC001571146585 952649769 /nfs/dbraw/zinc/64/97/69/952649769.db2.gz JFIMHEYMEGFGLY-AGUYFDCRSA-N -1 3 379.428 0.925 20 0 GCADHM Cn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ncccc2-c2nn[n-]n2)cn1 ZINC001571146585 952649771 /nfs/dbraw/zinc/64/97/71/952649771.db2.gz JFIMHEYMEGFGLY-AGUYFDCRSA-N -1 3 379.428 0.925 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2cncn2C1 ZINC001571146548 952650420 /nfs/dbraw/zinc/65/04/20/952650420.db2.gz IGGWIEHLBOSXNH-UONOGXRCSA-N -1 3 379.428 0.416 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2cncn2C1 ZINC001571146548 952650421 /nfs/dbraw/zinc/65/04/21/952650421.db2.gz IGGWIEHLBOSXNH-UONOGXRCSA-N -1 3 379.428 0.416 20 0 GCADHM CCc1nc(C)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571146779 952652025 /nfs/dbraw/zinc/65/20/25/952652025.db2.gz BXFMXAJQJTVIDW-CDMJZVDBSA-N -1 3 379.428 0.720 20 0 GCADHM CCc1nc(C)cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571146779 952652032 /nfs/dbraw/zinc/65/20/32/952652032.db2.gz BXFMXAJQJTVIDW-CDMJZVDBSA-N -1 3 379.428 0.720 20 0 GCADHM CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)c(C)n2)cn1 ZINC001571146771 952652428 /nfs/dbraw/zinc/65/24/28/952652428.db2.gz BROOLFHTRRMRDJ-KBPBESRZSA-N -1 3 379.428 0.890 20 0 GCADHM CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)c(C)n2)cn1 ZINC001571146771 952652432 /nfs/dbraw/zinc/65/24/32/952652432.db2.gz BROOLFHTRRMRDJ-KBPBESRZSA-N -1 3 379.428 0.890 20 0 GCADHM CCc1ncncc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571146770 952652451 /nfs/dbraw/zinc/65/24/51/952652451.db2.gz BOMAEVDQJUXYLY-GFCCVEGCSA-N -1 3 379.428 0.931 20 0 GCADHM CCc1ncncc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571146770 952652454 /nfs/dbraw/zinc/65/24/54/952652454.db2.gz BOMAEVDQJUXYLY-GFCCVEGCSA-N -1 3 379.428 0.931 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571146825 952653766 /nfs/dbraw/zinc/65/37/66/952653766.db2.gz NGTRNKSOCUCHJS-KBPBESRZSA-N -1 3 379.428 0.879 20 0 GCADHM Cn1nccc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571146825 952653770 /nfs/dbraw/zinc/65/37/70/952653770.db2.gz NGTRNKSOCUCHJS-KBPBESRZSA-N -1 3 379.428 0.879 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571146907 952654065 /nfs/dbraw/zinc/65/40/65/952654065.db2.gz PNTBLKCSHTWVRM-SGTLLEGYSA-N -1 3 379.428 0.703 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571146907 952654068 /nfs/dbraw/zinc/65/40/68/952654068.db2.gz PNTBLKCSHTWVRM-SGTLLEGYSA-N -1 3 379.428 0.703 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001571146919 952654451 /nfs/dbraw/zinc/65/44/51/952654451.db2.gz CVXBZJXANKWUAF-RDBSUJKOSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001571146919 952654454 /nfs/dbraw/zinc/65/44/54/952654454.db2.gz CVXBZJXANKWUAF-RDBSUJKOSA-N -1 3 379.428 0.899 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCc2cncn2C1 ZINC001571147477 952661584 /nfs/dbraw/zinc/66/15/84/952661584.db2.gz ZNHDEHJUTAOCEJ-CHWSQXEVSA-N -1 3 379.428 0.416 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCc2cncn2C1 ZINC001571147477 952661587 /nfs/dbraw/zinc/66/15/87/952661587.db2.gz ZNHDEHJUTAOCEJ-CHWSQXEVSA-N -1 3 379.428 0.416 20 0 GCADHM Cc1c[nH]nc1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]2C1 ZINC001571147564 952662760 /nfs/dbraw/zinc/66/27/60/952662760.db2.gz NYZJSHUNQMZQJY-BETUJISGSA-N -1 3 379.428 0.810 20 0 GCADHM Cc1c[nH]nc1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]2C1 ZINC001571147564 952662765 /nfs/dbraw/zinc/66/27/65/952662765.db2.gz NYZJSHUNQMZQJY-BETUJISGSA-N -1 3 379.428 0.810 20 0 GCADHM C[C@@]12CN(Cc3ncccn3)C[C@@H]1CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571147563 952662874 /nfs/dbraw/zinc/66/28/74/952662874.db2.gz NXDZWIAVSGWGCS-ACJLOTCBSA-N -1 3 379.428 0.579 20 0 GCADHM CCCn1nccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571148227 952666328 /nfs/dbraw/zinc/66/63/28/952666328.db2.gz VXSRICGNQVTTLO-VIKVFOODSA-N -1 3 379.428 0.733 20 0 GCADHM CCCn1nccc1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571148227 952666329 /nfs/dbraw/zinc/66/63/29/952666329.db2.gz VXSRICGNQVTTLO-VIKVFOODSA-N -1 3 379.428 0.733 20 0 GCADHM CCc1nc(C)ncc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571148262 952666485 /nfs/dbraw/zinc/66/64/85/952666485.db2.gz XEUCAIBRSRIUAW-UHFFFAOYSA-N -1 3 379.428 0.885 20 0 GCADHM CCc1nc(C)ncc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571148262 952666487 /nfs/dbraw/zinc/66/64/87/952666487.db2.gz XEUCAIBRSRIUAW-UHFFFAOYSA-N -1 3 379.428 0.885 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571148303 952666660 /nfs/dbraw/zinc/66/66/60/952666660.db2.gz YFEMJLBBBRVEGX-LRDDRELGSA-N -1 3 379.428 0.943 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cnccn2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571148303 952666665 /nfs/dbraw/zinc/66/66/65/952666665.db2.gz YFEMJLBBBRVEGX-LRDDRELGSA-N -1 3 379.428 0.943 20 0 GCADHM Cc1c(CC(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)cnn1C ZINC001571148278 952666721 /nfs/dbraw/zinc/66/67/21/952666721.db2.gz YBUIIIHUJLALJI-HALDLXJZSA-N -1 3 379.428 0.097 20 0 GCADHM Cc1c(CC(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)cnn1C ZINC001571148278 952666726 /nfs/dbraw/zinc/66/67/26/952666726.db2.gz YBUIIIHUJLALJI-HALDLXJZSA-N -1 3 379.428 0.097 20 0 GCADHM CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC001571150494 952668340 /nfs/dbraw/zinc/66/83/40/952668340.db2.gz CBMYMBFNZXQNJI-NSHDSACASA-N -1 3 379.446 0.257 20 0 GCADHM CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC001571150494 952668343 /nfs/dbraw/zinc/66/83/43/952668343.db2.gz CBMYMBFNZXQNJI-NSHDSACASA-N -1 3 379.446 0.257 20 0 GCADHM CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571150830 952670581 /nfs/dbraw/zinc/67/05/81/952670581.db2.gz GLNPOWRATBLSQL-UHFFFAOYSA-N -1 3 379.446 0.189 20 0 GCADHM CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571150830 952670584 /nfs/dbraw/zinc/67/05/84/952670584.db2.gz GLNPOWRATBLSQL-UHFFFAOYSA-N -1 3 379.446 0.189 20 0 GCADHM CCS(=O)(=O)N1CCC(NC(=O)c2cc(C)c(-c3nnn[n-]3)cn2)CC1 ZINC001571151809 952679173 /nfs/dbraw/zinc/67/91/73/952679173.db2.gz XTDCJMRROGSVOJ-UHFFFAOYSA-N -1 3 379.446 0.114 20 0 GCADHM CCS(=O)(=O)N1CCC(NC(=O)c2cc(C)c(-c3nn[n-]n3)cn2)CC1 ZINC001571151809 952679176 /nfs/dbraw/zinc/67/91/76/952679176.db2.gz XTDCJMRROGSVOJ-UHFFFAOYSA-N -1 3 379.446 0.114 20 0 GCADHM COC(=O)c1cccn(CC(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)c1=O ZINC001571152649 952683399 /nfs/dbraw/zinc/68/33/99/952683399.db2.gz JDMSAFJXUANKQI-UHFFFAOYSA-N -1 3 380.364 0.357 20 0 GCADHM COC(=O)c1cccn(CC(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)c1=O ZINC001571152649 952683401 /nfs/dbraw/zinc/68/34/01/952683401.db2.gz JDMSAFJXUANKQI-UHFFFAOYSA-N -1 3 380.364 0.357 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001571153568 952685948 /nfs/dbraw/zinc/68/59/48/952685948.db2.gz QVENVFGKZPGWFV-UHFFFAOYSA-N -1 3 380.368 0.265 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001571153568 952685950 /nfs/dbraw/zinc/68/59/50/952685950.db2.gz QVENVFGKZPGWFV-UHFFFAOYSA-N -1 3 380.368 0.265 20 0 GCADHM O=C(N[C@H](CO)[C@H](O)c1ccccn1)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001571154831 952690253 /nfs/dbraw/zinc/69/02/53/952690253.db2.gz BYVNZUNLDNAENE-XOSAIJSUSA-N -1 3 380.408 0.576 20 0 GCADHM O=C(N[C@H](CO)[C@H](O)c1ccccn1)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001571154831 952690256 /nfs/dbraw/zinc/69/02/56/952690256.db2.gz BYVNZUNLDNAENE-XOSAIJSUSA-N -1 3 380.408 0.576 20 0 GCADHM CCc1cccnc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571154815 952690778 /nfs/dbraw/zinc/69/07/78/952690778.db2.gz BUPLAXMNXGZOCE-LBPRGKRZSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccnc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571154815 952690782 /nfs/dbraw/zinc/69/07/82/952690782.db2.gz BUPLAXMNXGZOCE-LBPRGKRZSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571155088 952692720 /nfs/dbraw/zinc/69/27/20/952692720.db2.gz HFQKVVDAJPHOBR-CYBMUJFWSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571155088 952692726 /nfs/dbraw/zinc/69/27/26/952692726.db2.gz HFQKVVDAJPHOBR-CYBMUJFWSA-N -1 3 380.412 0.797 20 0 GCADHM CN(C(=O)c1ccn(C)c(=O)c1)[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571155142 952692898 /nfs/dbraw/zinc/69/28/98/952692898.db2.gz IWWHBRDGCSFQQQ-CYBMUJFWSA-N -1 3 380.412 0.311 20 0 GCADHM CN(C(=O)c1ccn(C)c(=O)c1)[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571155142 952692907 /nfs/dbraw/zinc/69/29/07/952692907.db2.gz IWWHBRDGCSFQQQ-CYBMUJFWSA-N -1 3 380.412 0.311 20 0 GCADHM CCOc1cnc(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001571155168 952693829 /nfs/dbraw/zinc/69/38/29/952693829.db2.gz JMOLHXJYVPXJKF-UHFFFAOYSA-N -1 3 380.412 0.670 20 0 GCADHM CCOc1cnc(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC001571155168 952693832 /nfs/dbraw/zinc/69/38/32/952693832.db2.gz JMOLHXJYVPXJKF-UHFFFAOYSA-N -1 3 380.412 0.670 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571155440 952697075 /nfs/dbraw/zinc/69/70/75/952697075.db2.gz RUGFEKPSYXNIIY-LBPRGKRZSA-N -1 3 380.412 0.961 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571155440 952697077 /nfs/dbraw/zinc/69/70/77/952697077.db2.gz RUGFEKPSYXNIIY-LBPRGKRZSA-N -1 3 380.412 0.961 20 0 GCADHM COCc1cncc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571155685 952698774 /nfs/dbraw/zinc/69/87/74/952698774.db2.gz XNHYXBVXTIMBII-CQSZACIVSA-N -1 3 380.412 0.812 20 0 GCADHM COCc1cncc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571155685 952698777 /nfs/dbraw/zinc/69/87/77/952698777.db2.gz XNHYXBVXTIMBII-CQSZACIVSA-N -1 3 380.412 0.812 20 0 GCADHM Cc1nccn1CC(=O)N1C[C@@H]2C[C@H]1CN2c1nc(C)ccc1-c1nnn[n-]1 ZINC001571156639 952701977 /nfs/dbraw/zinc/70/19/77/952701977.db2.gz FUHFRZGJHSUDNU-KBPBESRZSA-N -1 3 379.428 0.565 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3cnc4n3CCC4)C2)n1 ZINC001571156530 952702363 /nfs/dbraw/zinc/70/23/63/952702363.db2.gz CYIVWKPRDLOWOX-GFCCVEGCSA-N -1 3 379.428 0.722 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)c3cnc4n3CCC4)C2)n1 ZINC001571156530 952702366 /nfs/dbraw/zinc/70/23/66/952702366.db2.gz CYIVWKPRDLOWOX-GFCCVEGCSA-N -1 3 379.428 0.722 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571158199 952710144 /nfs/dbraw/zinc/71/01/44/952710144.db2.gz DOCXQYLLPDQDFX-YEORSEQZSA-N -1 3 380.412 0.837 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571158199 952710147 /nfs/dbraw/zinc/71/01/47/952710147.db2.gz DOCXQYLLPDQDFX-YEORSEQZSA-N -1 3 380.412 0.837 20 0 GCADHM COc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571158334 952711479 /nfs/dbraw/zinc/71/14/79/952711479.db2.gz HQBXPGVFMQCOKI-GFCCVEGCSA-N -1 3 380.412 0.922 20 0 GCADHM COc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571158334 952711483 /nfs/dbraw/zinc/71/14/83/952711483.db2.gz HQBXPGVFMQCOKI-GFCCVEGCSA-N -1 3 380.412 0.922 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571158675 952713366 /nfs/dbraw/zinc/71/33/66/952713366.db2.gz MBUJOAJIOWUZMK-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571158675 952713370 /nfs/dbraw/zinc/71/33/70/952713370.db2.gz MBUJOAJIOWUZMK-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cc[nH]c1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571158696 952713399 /nfs/dbraw/zinc/71/33/99/952713399.db2.gz MQLGUNOUBJLFMR-SMDDNHRTSA-N -1 3 380.412 0.818 20 0 GCADHM Cc1cc[nH]c1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571158696 952713403 /nfs/dbraw/zinc/71/34/03/952713403.db2.gz MQLGUNOUBJLFMR-SMDDNHRTSA-N -1 3 380.412 0.818 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)ccn1 ZINC001571158661 952713642 /nfs/dbraw/zinc/71/36/42/952713642.db2.gz LVKGJQQIQAWQML-LBPRGKRZSA-N -1 3 380.412 0.922 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)ccn1 ZINC001571158661 952713645 /nfs/dbraw/zinc/71/36/45/952713645.db2.gz LVKGJQQIQAWQML-LBPRGKRZSA-N -1 3 380.412 0.922 20 0 GCADHM Cc1cccnc1C(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001571158734 952714875 /nfs/dbraw/zinc/71/48/75/952714875.db2.gz NOJOMFDJLATSGS-WCQYABFASA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccnc1C(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001571158734 952714878 /nfs/dbraw/zinc/71/48/78/952714878.db2.gz NOJOMFDJLATSGS-WCQYABFASA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cccc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571159304 952718884 /nfs/dbraw/zinc/71/88/84/952718884.db2.gz UFOJOKBEOAWHIE-AWEZNQCLSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1cccc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571159304 952718892 /nfs/dbraw/zinc/71/88/92/952718892.db2.gz UFOJOKBEOAWHIE-AWEZNQCLSA-N -1 3 380.412 0.918 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](NC(=O)c3ccnc(C)c3)C2)n1 ZINC001571159662 952720553 /nfs/dbraw/zinc/72/05/53/952720553.db2.gz YMXQVUZWUZVRQJ-HUUCEWRRSA-N -1 3 380.412 0.253 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](NC(=O)c3ccnc(C)c3)C2)n1 ZINC001571159662 952720559 /nfs/dbraw/zinc/72/05/59/952720559.db2.gz YMXQVUZWUZVRQJ-HUUCEWRRSA-N -1 3 380.412 0.253 20 0 GCADHM Cc1cc[nH]c1C(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001571159703 952722311 /nfs/dbraw/zinc/72/23/11/952722311.db2.gz ZFDGNCXRBNXLCU-SMDDNHRTSA-N -1 3 380.412 0.818 20 0 GCADHM Cc1cc[nH]c1C(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571159703 952722313 /nfs/dbraw/zinc/72/23/13/952722313.db2.gz ZFDGNCXRBNXLCU-SMDDNHRTSA-N -1 3 380.412 0.818 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)ccc1=O ZINC001571160071 952722796 /nfs/dbraw/zinc/72/27/96/952722796.db2.gz CLLYTQCLUFBTGA-CQSZACIVSA-N -1 3 380.412 0.677 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)ccc1=O ZINC001571160071 952722799 /nfs/dbraw/zinc/72/27/99/952722799.db2.gz CLLYTQCLUFBTGA-CQSZACIVSA-N -1 3 380.412 0.677 20 0 GCADHM Cc1ccncc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001571160257 952724170 /nfs/dbraw/zinc/72/41/70/952724170.db2.gz FXUILFTXSQTIDG-CQSZACIVSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1ccncc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001571160257 952724175 /nfs/dbraw/zinc/72/41/75/952724175.db2.gz FXUILFTXSQTIDG-CQSZACIVSA-N -1 3 380.412 0.600 20 0 GCADHM O=C(NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1)c1cnc2n1CCOC2 ZINC001571160215 952724326 /nfs/dbraw/zinc/72/43/26/952724326.db2.gz DYYGQBKFICWMSQ-UHFFFAOYSA-N -1 3 380.412 0.208 20 0 GCADHM O=C(NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)c1cnc2n1CCOC2 ZINC001571160215 952724334 /nfs/dbraw/zinc/72/43/34/952724334.db2.gz DYYGQBKFICWMSQ-UHFFFAOYSA-N -1 3 380.412 0.208 20 0 GCADHM Cc1cc(CN2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)ncn1 ZINC001571160274 952725173 /nfs/dbraw/zinc/72/51/73/952725173.db2.gz XSDQXBPCJLHDLW-BLLLJJGKSA-N -1 3 379.428 0.640 20 0 GCADHM Cn1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)cn3)C2)ccc1=O ZINC001571160664 952727327 /nfs/dbraw/zinc/72/73/27/952727327.db2.gz LBNHFBAEBSIWNZ-SFHVURJKSA-N -1 3 380.412 0.359 20 0 GCADHM Cn1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)cn3)C2)ccc1=O ZINC001571160664 952727330 /nfs/dbraw/zinc/72/73/30/952727330.db2.gz LBNHFBAEBSIWNZ-SFHVURJKSA-N -1 3 380.412 0.359 20 0 GCADHM Cn1ccc(=O)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC001571160634 952727354 /nfs/dbraw/zinc/72/73/54/952727354.db2.gz KQDOGBOAKAKRFQ-LBPRGKRZSA-N -1 3 380.412 0.359 20 0 GCADHM Cn1ccc(=O)c(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC001571160634 952727356 /nfs/dbraw/zinc/72/73/56/952727356.db2.gz KQDOGBOAKAKRFQ-LBPRGKRZSA-N -1 3 380.412 0.359 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)Cn3ccccc3=O)C2)ccc1-c1nnn[n-]1 ZINC001571160606 952727714 /nfs/dbraw/zinc/72/77/14/952727714.db2.gz JWAOAMGHMNGSEV-BETUJISGSA-N -1 3 380.412 0.491 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)Cn3ccccc3=O)C2)ccc1-c1nn[n-]n1 ZINC001571160606 952727719 /nfs/dbraw/zinc/72/77/19/952727719.db2.gz JWAOAMGHMNGSEV-BETUJISGSA-N -1 3 380.412 0.491 20 0 GCADHM O=C(CCc1cccnc1)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161074 952731166 /nfs/dbraw/zinc/73/11/66/952731166.db2.gz QAFWXHBBUZJUMD-ZDUSSCGKSA-N -1 3 380.412 0.553 20 0 GCADHM O=C(CCc1cccnc1)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161074 952731169 /nfs/dbraw/zinc/73/11/69/952731169.db2.gz QAFWXHBBUZJUMD-ZDUSSCGKSA-N -1 3 380.412 0.553 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161443 952733081 /nfs/dbraw/zinc/73/30/81/952733081.db2.gz VRQUFMHRGIBMMO-NWDGAFQWSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161443 952733083 /nfs/dbraw/zinc/73/30/83/952733083.db2.gz VRQUFMHRGIBMMO-NWDGAFQWSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161445 952733303 /nfs/dbraw/zinc/73/33/03/952733303.db2.gz VRQUFMHRGIBMMO-VXGBXAGGSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161445 952733308 /nfs/dbraw/zinc/73/33/08/952733308.db2.gz VRQUFMHRGIBMMO-VXGBXAGGSA-N -1 3 380.412 0.931 20 0 GCADHM CN(C)c1cnc(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571161784 952733971 /nfs/dbraw/zinc/73/39/71/952733971.db2.gz ABHZIYLZPQJOMI-XYPYZODXSA-N -1 3 380.416 0.491 20 0 GCADHM CN(C)c1cnc(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571161784 952733975 /nfs/dbraw/zinc/73/39/75/952733975.db2.gz ABHZIYLZPQJOMI-XYPYZODXSA-N -1 3 380.416 0.491 20 0 GCADHM O=C(Cc1ccc[nH]1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571161610 952734240 /nfs/dbraw/zinc/73/42/40/952734240.db2.gz YSMMOJGDSQIWCP-XHDPSFHLSA-N -1 3 380.412 0.439 20 0 GCADHM O=C(Cc1ccc[nH]1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571161610 952734245 /nfs/dbraw/zinc/73/42/45/952734245.db2.gz YSMMOJGDSQIWCP-XHDPSFHLSA-N -1 3 380.412 0.439 20 0 GCADHM C[C@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571162176 952739999 /nfs/dbraw/zinc/73/99/99/952739999.db2.gz MXGJSLAZOGNGRB-LKFCYVNXSA-N -1 3 380.416 0.830 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cn(C)nn2)n1 ZINC001571162186 952740164 /nfs/dbraw/zinc/74/01/64/952740164.db2.gz NEHUPTZCHCXUSK-TXEJJXNPSA-N -1 3 380.416 0.192 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cn(C)nn2)n1 ZINC001571162186 952740169 /nfs/dbraw/zinc/74/01/69/952740169.db2.gz NEHUPTZCHCXUSK-TXEJJXNPSA-N -1 3 380.416 0.192 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1nccnc1N ZINC001571162432 952742708 /nfs/dbraw/zinc/74/27/08/952742708.db2.gz UGCQASZOARWBQY-CMPLNLGQSA-N -1 3 380.416 0.739 20 0 GCADHM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1nccnc1N ZINC001571162432 952742713 /nfs/dbraw/zinc/74/27/13/952742713.db2.gz UGCQASZOARWBQY-CMPLNLGQSA-N -1 3 380.416 0.739 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)c3n[nH]c4c3CCC4)C2)n1 ZINC001571162456 952743829 /nfs/dbraw/zinc/74/38/29/952743829.db2.gz URBQPWSNFHISRY-SNVBAGLBSA-N -1 3 380.416 0.186 20 0 GCADHM C[C@@]12CN(C(=O)c3cn[nH]n3)C[C@]1(C)CN(c1ncccc1-c1nn[n-]n1)C2 ZINC001571162556 952744019 /nfs/dbraw/zinc/74/40/19/952744019.db2.gz VPZFHCCIERBVSB-CALCHBBNSA-N -1 3 380.416 0.368 20 0 GCADHM C[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001571162631 952744963 /nfs/dbraw/zinc/74/49/63/952744963.db2.gz WSIBLOPLJWHVIA-GXSJLCMTSA-N -1 3 380.416 0.972 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571162666 952745344 /nfs/dbraw/zinc/74/53/44/952745344.db2.gz XLDQZLPXGBPTIR-WDEREUQCSA-N -1 3 380.416 0.597 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571162666 952745347 /nfs/dbraw/zinc/74/53/47/952745347.db2.gz XLDQZLPXGBPTIR-WDEREUQCSA-N -1 3 380.416 0.597 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2ccnn2)n1 ZINC001571162643 952745537 /nfs/dbraw/zinc/74/55/37/952745537.db2.gz XCMIAIYVQFQWNC-STQMWFEESA-N -1 3 380.416 0.041 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)CCn2ccnn2)n1 ZINC001571162643 952745538 /nfs/dbraw/zinc/74/55/38/952745538.db2.gz XCMIAIYVQFQWNC-STQMWFEESA-N -1 3 380.416 0.041 20 0 GCADHM O=C(Cn1cc(C2CC2)nn1)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571165067 952746985 /nfs/dbraw/zinc/74/69/85/952746985.db2.gz BSDQNMHHNBXCCF-GFCCVEGCSA-N -1 3 380.416 0.126 20 0 GCADHM O=C(Cn1cc(C2CC2)nn1)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571165067 952746990 /nfs/dbraw/zinc/74/69/90/952746990.db2.gz BSDQNMHHNBXCCF-GFCCVEGCSA-N -1 3 380.416 0.126 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571165143 952747144 /nfs/dbraw/zinc/74/71/44/952747144.db2.gz DDHZKGDRCQMALA-AWEZNQCLSA-N -1 3 380.416 0.029 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571165143 952747148 /nfs/dbraw/zinc/74/71/48/952747148.db2.gz DDHZKGDRCQMALA-AWEZNQCLSA-N -1 3 380.416 0.029 20 0 GCADHM Cn1ncc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ncccc2-c2nnn[n-]2)n1 ZINC001571165187 952748404 /nfs/dbraw/zinc/74/84/04/952748404.db2.gz FHAXUCNBIKMRKP-ZIAGYGMSSA-N -1 3 380.416 0.274 20 0 GCADHM Cn1ncc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2ncccc2-c2nn[n-]n2)n1 ZINC001571165187 952748407 /nfs/dbraw/zinc/74/84/07/952748407.db2.gz FHAXUCNBIKMRKP-ZIAGYGMSSA-N -1 3 380.416 0.274 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001571165539 952751804 /nfs/dbraw/zinc/75/18/04/952751804.db2.gz JGMRFDWFFQQYDH-MNOVXSKESA-N -1 3 380.416 0.195 20 0 GCADHM O=C([C@@H]1CCCc2nn[nH]c21)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165786 952754620 /nfs/dbraw/zinc/75/46/20/952754620.db2.gz KOMBKNIGSBETFF-VXGBXAGGSA-N -1 3 380.416 0.513 20 0 GCADHM O=C([C@@H]1CCCc2nn[nH]c21)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165786 952754624 /nfs/dbraw/zinc/75/46/24/952754624.db2.gz KOMBKNIGSBETFF-VXGBXAGGSA-N -1 3 380.416 0.513 20 0 GCADHM O=C([C@@H]1CCCc2nn[nH]c21)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165784 952754690 /nfs/dbraw/zinc/75/46/90/952754690.db2.gz KOMBKNIGSBETFF-NWDGAFQWSA-N -1 3 380.416 0.513 20 0 GCADHM O=C([C@@H]1CCCc2nn[nH]c21)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165784 952754693 /nfs/dbraw/zinc/75/46/93/952754693.db2.gz KOMBKNIGSBETFF-NWDGAFQWSA-N -1 3 380.416 0.513 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ncccc2-c2nnn[n-]2)C3)n1 ZINC001571166024 952757266 /nfs/dbraw/zinc/75/72/66/952757266.db2.gz MQPREMJDAWWRRS-TUAOUCFPSA-N -1 3 380.416 0.178 20 0 GCADHM Cn1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ncccc2-c2nn[n-]n2)C3)n1 ZINC001571166024 952757269 /nfs/dbraw/zinc/75/72/69/952757269.db2.gz MQPREMJDAWWRRS-TUAOUCFPSA-N -1 3 380.416 0.178 20 0 GCADHM Cc1nc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001571166143 952758371 /nfs/dbraw/zinc/75/83/71/952758371.db2.gz OQCQLULJHNTOIX-SMDDNHRTSA-N -1 3 380.416 0.429 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571166171 952758694 /nfs/dbraw/zinc/75/86/94/952758694.db2.gz PGCQCZKDGIPTME-IJLUTSLNSA-N -1 3 380.416 0.269 20 0 GCADHM O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571166171 952758698 /nfs/dbraw/zinc/75/86/98/952758698.db2.gz PGCQCZKDGIPTME-IJLUTSLNSA-N -1 3 380.416 0.269 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)[C@H]1CCc2c[nH]nc2C1 ZINC001571166124 952758748 /nfs/dbraw/zinc/75/87/48/952758748.db2.gz OFURSPQXRBILBO-ZMLRMANQSA-N -1 3 380.416 0.244 20 0 GCADHM Cc1nc(N[C@H]2CCCN(C(=O)c3nccnc3N)C2)ccc1-c1nnn[n-]1 ZINC001571166154 952758814 /nfs/dbraw/zinc/75/88/14/952758814.db2.gz OVPIDUROJCQNTI-NSHDSACASA-N -1 3 380.416 0.659 20 0 GCADHM Cc1nc(N[C@H]2CCCN(C(=O)c3nccnc3N)C2)ccc1-c1nn[n-]n1 ZINC001571166154 952758817 /nfs/dbraw/zinc/75/88/17/952758817.db2.gz OVPIDUROJCQNTI-NSHDSACASA-N -1 3 380.416 0.659 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571166174 952758827 /nfs/dbraw/zinc/75/88/27/952758827.db2.gz PGCQCZKDGIPTME-QJPTWQEYSA-N -1 3 380.416 0.269 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571166174 952758829 /nfs/dbraw/zinc/75/88/29/952758829.db2.gz PGCQCZKDGIPTME-QJPTWQEYSA-N -1 3 380.416 0.269 20 0 GCADHM O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571166116 952759017 /nfs/dbraw/zinc/75/90/17/952759017.db2.gz ODORMZRBOJRBJO-LLVKDONJSA-N -1 3 380.416 0.974 20 0 GCADHM Nc1nccnc1C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571166470 952762201 /nfs/dbraw/zinc/76/22/01/952762201.db2.gz SEPFSJKSEQXKBT-LLVKDONJSA-N -1 3 380.416 0.741 20 0 GCADHM Nc1nccnc1C(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571166470 952762205 /nfs/dbraw/zinc/76/22/05/952762205.db2.gz SEPFSJKSEQXKBT-LLVKDONJSA-N -1 3 380.416 0.741 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)oc1C ZINC001571170357 952785179 /nfs/dbraw/zinc/78/51/79/952785179.db2.gz HIMBNMUSMWHKTB-HBYGRHMLSA-N -1 3 381.396 0.905 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)oc1C ZINC001571170357 952785180 /nfs/dbraw/zinc/78/51/80/952785180.db2.gz HIMBNMUSMWHKTB-HBYGRHMLSA-N -1 3 381.396 0.905 20 0 GCADHM CN(C[C@@H]1CCN1CCO[C@@H]1CC1(F)F)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170655 952788473 /nfs/dbraw/zinc/78/84/73/952788473.db2.gz KDOGLQBSEGQDNK-WCQYABFASA-N -1 3 381.387 0.765 20 0 GCADHM CN(C[C@@H]1CCN1CCO[C@@H]1CC1(F)F)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170655 952788479 /nfs/dbraw/zinc/78/84/79/952788479.db2.gz KDOGLQBSEGQDNK-WCQYABFASA-N -1 3 381.387 0.765 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001571171787 952797299 /nfs/dbraw/zinc/79/72/99/952797299.db2.gz WEISAXCBCPOBQB-CHWSQXEVSA-N -1 3 381.396 0.876 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001571171787 952797305 /nfs/dbraw/zinc/79/73/05/952797305.db2.gz WEISAXCBCPOBQB-CHWSQXEVSA-N -1 3 381.396 0.876 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001571171858 952798397 /nfs/dbraw/zinc/79/83/97/952798397.db2.gz YJTBGFJXCQFAEG-ZACQAIPSSA-N -1 3 381.392 0.551 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001571171858 952798399 /nfs/dbraw/zinc/79/83/99/952798399.db2.gz YJTBGFJXCQFAEG-ZACQAIPSSA-N -1 3 381.392 0.551 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571171994 952799876 /nfs/dbraw/zinc/79/98/76/952799876.db2.gz ZYQMBWDNPMGNFL-GHMZBOCLSA-N -1 3 381.400 0.545 20 0 GCADHM O=S(=O)(Cc1csc(-c2nnn[n-]2)c1)NCc1nnc2n1CCCC2 ZINC001571172078 952801051 /nfs/dbraw/zinc/80/10/51/952801051.db2.gz LRKHNJYMIRBDKH-UHFFFAOYSA-N -1 3 380.459 0.476 20 0 GCADHM CCCCN(CC(N)=O)S(=O)(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001571172849 952810413 /nfs/dbraw/zinc/81/04/13/952810413.db2.gz ZKTSKWMYJPLJBY-UHFFFAOYSA-N -1 3 380.474 0.901 20 0 GCADHM CCCCN(CC(N)=O)S(=O)(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001571172849 952810420 /nfs/dbraw/zinc/81/04/20/952810420.db2.gz ZKTSKWMYJPLJBY-UHFFFAOYSA-N -1 3 380.474 0.901 20 0 GCADHM COc1ncc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C[C@H]2C)cn1 ZINC001571174561 952810433 /nfs/dbraw/zinc/81/04/33/952810433.db2.gz AICHRDGWXZMWGB-MFKMUULPSA-N -1 3 381.400 0.775 20 0 GCADHM COc1ncc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C[C@H]2C)cn1 ZINC001571174561 952810439 /nfs/dbraw/zinc/81/04/39/952810439.db2.gz AICHRDGWXZMWGB-MFKMUULPSA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001571174753 952814866 /nfs/dbraw/zinc/81/48/66/952814866.db2.gz HJPXMBYYGFFNSQ-UHFFFAOYSA-N -1 3 381.400 0.413 20 0 GCADHM COc1nccc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001571174753 952814871 /nfs/dbraw/zinc/81/48/71/952814871.db2.gz HJPXMBYYGFFNSQ-UHFFFAOYSA-N -1 3 381.400 0.413 20 0 GCADHM COC(=O)c1nccnc1N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571174880 952815836 /nfs/dbraw/zinc/81/58/36/952815836.db2.gz LJKRMOMEDGDSFH-LBPRGKRZSA-N -1 3 381.400 0.919 20 0 GCADHM COC(=O)c1nccnc1N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571174880 952815842 /nfs/dbraw/zinc/81/58/42/952815842.db2.gz LJKRMOMEDGDSFH-LBPRGKRZSA-N -1 3 381.400 0.919 20 0 GCADHM COc1ccc(C(=O)N2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001571175251 952818226 /nfs/dbraw/zinc/81/82/26/952818226.db2.gz QXLKUPLWCAHXFO-UHFFFAOYSA-N -1 3 381.400 0.413 20 0 GCADHM COc1ccc(C(=O)N2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC001571175251 952818230 /nfs/dbraw/zinc/81/82/30/952818230.db2.gz QXLKUPLWCAHXFO-UHFFFAOYSA-N -1 3 381.400 0.413 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)ncn1 ZINC001571175085 952818338 /nfs/dbraw/zinc/81/83/38/952818338.db2.gz PCEDQFJYAGYNHS-MNOVXSKESA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)ncn1 ZINC001571175085 952818344 /nfs/dbraw/zinc/81/83/44/952818344.db2.gz PCEDQFJYAGYNHS-MNOVXSKESA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571175260 952819533 /nfs/dbraw/zinc/81/95/33/952819533.db2.gz REYNYFGGMWAZTG-QGZVFWFLSA-N -1 3 381.400 0.465 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@](C)(NC(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571175260 952819535 /nfs/dbraw/zinc/81/95/35/952819535.db2.gz REYNYFGGMWAZTG-QGZVFWFLSA-N -1 3 381.400 0.465 20 0 GCADHM COc1ncc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001571175586 952821984 /nfs/dbraw/zinc/82/19/84/952821984.db2.gz VUESRBHQCBXLBJ-UHFFFAOYSA-N -1 3 381.400 0.681 20 0 GCADHM COc1ncc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001571175586 952821990 /nfs/dbraw/zinc/82/19/90/952821990.db2.gz VUESRBHQCBXLBJ-UHFFFAOYSA-N -1 3 381.400 0.681 20 0 GCADHM Cc1cc(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ncn1 ZINC001571175603 952823774 /nfs/dbraw/zinc/82/37/74/952823774.db2.gz WURXLLFJSVPIMY-JTQLQIEISA-N -1 3 381.400 0.184 20 0 GCADHM Cc1cc(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ncn1 ZINC001571175603 952823780 /nfs/dbraw/zinc/82/37/80/952823780.db2.gz WURXLLFJSVPIMY-JTQLQIEISA-N -1 3 381.400 0.184 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1O ZINC001571175680 952824896 /nfs/dbraw/zinc/82/48/96/952824896.db2.gz DZZMLDBQECMNAI-WDEREUQCSA-N -1 3 381.400 0.768 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)c1cnc[nH]c1=O ZINC001571175979 952827755 /nfs/dbraw/zinc/82/77/55/952827755.db2.gz KLCQWGQNRJRCDF-LLVKDONJSA-N -1 3 381.400 0.546 20 0 GCADHM Cc1nnccc1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571176109 952828362 /nfs/dbraw/zinc/82/83/62/952828362.db2.gz LIWWPXBRANMHBM-GFCCVEGCSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1nnccc1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571176109 952828366 /nfs/dbraw/zinc/82/83/66/952828366.db2.gz LIWWPXBRANMHBM-GFCCVEGCSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1nc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(=O)[nH]c1C ZINC001571175945 952828655 /nfs/dbraw/zinc/82/86/55/952828655.db2.gz JBZUPYXWULBFMH-LBPRGKRZSA-N -1 3 381.400 0.288 20 0 GCADHM Cc1nc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c(=O)[nH]c1C ZINC001571175945 952828662 /nfs/dbraw/zinc/82/86/62/952828662.db2.gz JBZUPYXWULBFMH-LBPRGKRZSA-N -1 3 381.400 0.288 20 0 GCADHM Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2cc(-c3nnn[n-]3)ccn2)n1 ZINC001571176181 952829073 /nfs/dbraw/zinc/82/90/73/952829073.db2.gz NREDKUFXOVMDJL-GXTWGEPZSA-N -1 3 381.400 0.360 20 0 GCADHM Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2cc(-c3nn[n-]n3)ccn2)n1 ZINC001571176181 952829076 /nfs/dbraw/zinc/82/90/76/952829076.db2.gz NREDKUFXOVMDJL-GXTWGEPZSA-N -1 3 381.400 0.360 20 0 GCADHM Cc1ccnc(C(=O)N(C)C2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571176288 952829935 /nfs/dbraw/zinc/82/99/35/952829935.db2.gz NZYAUIXPFCCGAN-UHFFFAOYSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)N(C)C2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571176288 952829939 /nfs/dbraw/zinc/82/99/39/952829939.db2.gz NZYAUIXPFCCGAN-UHFFFAOYSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccnc(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571176306 952830267 /nfs/dbraw/zinc/83/02/67/952830267.db2.gz ORUSUXYPLSMRAQ-SNVBAGLBSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1ccnc(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571176306 952830268 /nfs/dbraw/zinc/83/02/68/952830268.db2.gz ORUSUXYPLSMRAQ-SNVBAGLBSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571176479 952831538 /nfs/dbraw/zinc/83/15/38/952831538.db2.gz RLVIRCUVQPOEFB-GXTWGEPZSA-N -1 3 381.400 0.360 20 0 GCADHM Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571176479 952831541 /nfs/dbraw/zinc/83/15/41/952831541.db2.gz RLVIRCUVQPOEFB-GXTWGEPZSA-N -1 3 381.400 0.360 20 0 GCADHM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C1)c1cnon1 ZINC001571176556 952833088 /nfs/dbraw/zinc/83/30/88/952833088.db2.gz UTRWQCVPEHMRIA-SDDRHHMPSA-N -1 3 381.400 0.680 20 0 GCADHM O=C(N[C@@H]1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2C1)c1cnon1 ZINC001571176556 952833091 /nfs/dbraw/zinc/83/30/91/952833091.db2.gz UTRWQCVPEHMRIA-SDDRHHMPSA-N -1 3 381.400 0.680 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571176690 952834212 /nfs/dbraw/zinc/83/42/12/952834212.db2.gz XDWXHKGUOFESMJ-LBPRGKRZSA-N -1 3 381.400 0.072 20 0 GCADHM Cn1cnc(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571176690 952834220 /nfs/dbraw/zinc/83/42/20/952834220.db2.gz XDWXHKGUOFESMJ-LBPRGKRZSA-N -1 3 381.400 0.072 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571178244 952837795 /nfs/dbraw/zinc/83/77/95/952837795.db2.gz CKLINHOIVVDLEF-QGZVFWFLSA-N -1 3 381.400 0.131 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571178244 952837802 /nfs/dbraw/zinc/83/78/02/952837802.db2.gz CKLINHOIVVDLEF-QGZVFWFLSA-N -1 3 381.400 0.131 20 0 GCADHM CC1=C(C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)[C@@H](C)n2ncnc2N1C ZINC001571178430 952839895 /nfs/dbraw/zinc/83/98/95/952839895.db2.gz IQLSFBQVDMFNHF-MRVPVSSYSA-N -1 3 381.404 0.982 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)cn1)CC2)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571179500 952852751 /nfs/dbraw/zinc/85/27/51/952852751.db2.gz FJLVRBLKKJKCGM-XVNUXHDISA-N -1 3 381.440 0.772 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)cn1)CC2)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571179500 952852755 /nfs/dbraw/zinc/85/27/55/952852755.db2.gz FJLVRBLKKJKCGM-XVNUXHDISA-N -1 3 381.440 0.772 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571179603 952854219 /nfs/dbraw/zinc/85/42/19/952854219.db2.gz GRCFDXZFJJJABV-AWEZNQCLSA-N -1 3 381.444 0.977 20 0 GCADHM Cc1nsc(N2CCC[C@H](NC(=O)[C@]3(F)CCOC3)C2)c1-c1nnn[n-]1 ZINC001571183253 952875320 /nfs/dbraw/zinc/87/53/20/952875320.db2.gz UPZORHFIOSOZDV-BONVTDFDSA-N -1 3 381.437 0.845 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CC[C@H]1NC(=O)Cn1cccn1 ZINC001571183776 952883087 /nfs/dbraw/zinc/88/30/87/952883087.db2.gz JHJMBKRXFOYUPG-CQSZACIVSA-N -1 3 381.444 0.880 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CC[C@H]1NC(=O)Cn1cccn1 ZINC001571183776 952883092 /nfs/dbraw/zinc/88/30/92/952883092.db2.gz JHJMBKRXFOYUPG-CQSZACIVSA-N -1 3 381.444 0.880 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571184174 952889763 /nfs/dbraw/zinc/88/97/63/952889763.db2.gz SOVHFJDDAFAHRX-GXTWGEPZSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001571184174 952889765 /nfs/dbraw/zinc/88/97/65/952889765.db2.gz SOVHFJDDAFAHRX-GXTWGEPZSA-N -1 3 381.444 0.887 20 0 GCADHM CCc1cc(C(=O)NC[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)nn1C ZINC001571184252 952890247 /nfs/dbraw/zinc/89/02/47/952890247.db2.gz USXRCFQZQLVZDN-GFCCVEGCSA-N -1 3 381.444 0.814 20 0 GCADHM CCc1cc(C(=O)NC[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)nn1C ZINC001571184252 952890253 /nfs/dbraw/zinc/89/02/53/952890253.db2.gz USXRCFQZQLVZDN-GFCCVEGCSA-N -1 3 381.444 0.814 20 0 GCADHM CN(CC1CCN(C(=O)c2cn(C)cn2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571184816 952896476 /nfs/dbraw/zinc/89/64/76/952896476.db2.gz DLPROQOMQBAVKJ-UHFFFAOYSA-N -1 3 381.444 0.984 20 0 GCADHM CN(CC1CCN(C(=O)c2cn(C)cn2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571184816 952896482 /nfs/dbraw/zinc/89/64/82/952896482.db2.gz DLPROQOMQBAVKJ-UHFFFAOYSA-N -1 3 381.444 0.984 20 0 GCADHM CN(C)c1cc(CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)ccn1 ZINC001571184979 952899059 /nfs/dbraw/zinc/89/90/59/952899059.db2.gz GEHICCDEGOVUSU-AWEZNQCLSA-N -1 3 381.444 0.660 20 0 GCADHM CN(C)c1cc(CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)ccn1 ZINC001571184979 952899061 /nfs/dbraw/zinc/89/90/61/952899061.db2.gz GEHICCDEGOVUSU-AWEZNQCLSA-N -1 3 381.444 0.660 20 0 GCADHM CCn1cc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)[C@@H]2C)cn1 ZINC001571185183 952901140 /nfs/dbraw/zinc/90/11/40/952901140.db2.gz JFIHRTRRSHJXFR-DOMZBBRYSA-N -1 3 381.444 0.804 20 0 GCADHM CCn1cc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)[C@@H]2C)cn1 ZINC001571185183 952901144 /nfs/dbraw/zinc/90/11/44/952901144.db2.gz JFIHRTRRSHJXFR-DOMZBBRYSA-N -1 3 381.444 0.804 20 0 GCADHM CN(C[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571185254 952901360 /nfs/dbraw/zinc/90/13/60/952901360.db2.gz JZWKXQHYJCGWTE-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM CN(C[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571185254 952901362 /nfs/dbraw/zinc/90/13/62/952901362.db2.gz JZWKXQHYJCGWTE-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM CN(CC1CCN(C(=O)Cc2ncc[nH]2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571185685 952903427 /nfs/dbraw/zinc/90/34/27/952903427.db2.gz OHUWDVIFUBAUAN-UHFFFAOYSA-N -1 3 381.444 0.902 20 0 GCADHM CN(CC1CCN(C(=O)Cc2ncc[nH]2)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571185685 952903430 /nfs/dbraw/zinc/90/34/30/952903430.db2.gz OHUWDVIFUBAUAN-UHFFFAOYSA-N -1 3 381.444 0.902 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1Cc1cc2n(n1)CCC2 ZINC001571186047 952903845 /nfs/dbraw/zinc/90/38/45/952903845.db2.gz QRMXCYQFTYUYHY-ABAIWWIYSA-N -1 3 381.444 0.730 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1Cc1cc2n(n1)CCC2 ZINC001571186047 952903848 /nfs/dbraw/zinc/90/38/48/952903848.db2.gz QRMXCYQFTYUYHY-ABAIWWIYSA-N -1 3 381.444 0.730 20 0 GCADHM CN(C(=O)Cc1cnn(C)c1)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571186578 952907727 /nfs/dbraw/zinc/90/77/27/952907727.db2.gz XLACIEHFXGBYNB-UHFFFAOYSA-N -1 3 381.444 0.665 20 0 GCADHM CN(C(=O)Cc1cnn(C)c1)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571186578 952907729 /nfs/dbraw/zinc/90/77/29/952907729.db2.gz XLACIEHFXGBYNB-UHFFFAOYSA-N -1 3 381.444 0.665 20 0 GCADHM Cc1ccnn1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)C1 ZINC001571188157 952912791 /nfs/dbraw/zinc/91/27/91/952912791.db2.gz HCJRXVAJNGQQQV-KBPBESRZSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1ccnn1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)C1 ZINC001571188157 952912792 /nfs/dbraw/zinc/91/27/92/952912792.db2.gz HCJRXVAJNGQQQV-KBPBESRZSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CC[C@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001571188446 952914079 /nfs/dbraw/zinc/91/40/79/952914079.db2.gz AUCYVPMZJQWFBO-GXTWGEPZSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CC[C@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001571188446 952914085 /nfs/dbraw/zinc/91/40/85/952914085.db2.gz AUCYVPMZJQWFBO-GXTWGEPZSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CC[C@@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001571188449 952914476 /nfs/dbraw/zinc/91/44/76/952914476.db2.gz AUCYVPMZJQWFBO-TZMCWYRMSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nccn1CC(=O)N[C@@H]1CC[C@@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001571188449 952914479 /nfs/dbraw/zinc/91/44/79/952914479.db2.gz AUCYVPMZJQWFBO-TZMCWYRMSA-N -1 3 381.444 0.940 20 0 GCADHM Cn1cncc1CC(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571188450 952915179 /nfs/dbraw/zinc/91/51/79/952915179.db2.gz AUPPDQLDERONPT-CYBMUJFWSA-N -1 3 381.444 0.713 20 0 GCADHM Cn1cncc1CC(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571188450 952915180 /nfs/dbraw/zinc/91/51/80/952915180.db2.gz AUPPDQLDERONPT-CYBMUJFWSA-N -1 3 381.444 0.713 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571188498 952915886 /nfs/dbraw/zinc/91/58/86/952915886.db2.gz CBJOXDBJEDXMDK-CYBMUJFWSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CC1(C)C ZINC001571188498 952915889 /nfs/dbraw/zinc/91/58/89/952915889.db2.gz CBJOXDBJEDXMDK-CYBMUJFWSA-N -1 3 381.444 0.948 20 0 GCADHM Cn1cc(CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cn1 ZINC001571188739 952919601 /nfs/dbraw/zinc/91/96/01/952919601.db2.gz HFBWQBFIJAEBDO-AWEZNQCLSA-N -1 3 381.444 0.713 20 0 GCADHM Cn1cc(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cn1 ZINC001571188739 952919604 /nfs/dbraw/zinc/91/96/04/952919604.db2.gz HFBWQBFIJAEBDO-AWEZNQCLSA-N -1 3 381.444 0.713 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CC[C@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001571188816 952920289 /nfs/dbraw/zinc/92/02/89/952920289.db2.gz NHJAVDPASJFBOJ-GXTWGEPZSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cncn1CC(=O)N[C@@H]1CC[C@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001571188816 952920292 /nfs/dbraw/zinc/92/02/92/952920292.db2.gz NHJAVDPASJFBOJ-GXTWGEPZSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2CC[C@H](C)N(c3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571188914 952921463 /nfs/dbraw/zinc/92/14/63/952921463.db2.gz PPMUNVAPVICFAT-KBPBESRZSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2CC[C@H](C)N(c3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571188914 952921466 /nfs/dbraw/zinc/92/14/66/952921466.db2.gz PPMUNVAPVICFAT-KBPBESRZSA-N -1 3 381.444 0.940 20 0 GCADHM C[C@@H](O)C(C)(C)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571189015 952923123 /nfs/dbraw/zinc/92/31/23/952923123.db2.gz MDUMVZNSVATSSZ-LLVKDONJSA-N -1 3 381.458 0.305 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C)n1 ZINC001571189043 952924115 /nfs/dbraw/zinc/92/41/15/952924115.db2.gz QPBIPJSKDIJIKV-DOMZBBRYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C)n1 ZINC001571189043 952924117 /nfs/dbraw/zinc/92/41/17/952924117.db2.gz QPBIPJSKDIJIKV-DOMZBBRYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1cc(CN2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C(C)(C)C2)ncn1 ZINC001571189642 952931545 /nfs/dbraw/zinc/93/15/45/952931545.db2.gz ZKPIDVJTKFIRND-HNNXBMFYSA-N -1 3 381.444 0.934 20 0 GCADHM Cc1cc(CN2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C(C)(C)C2)ncn1 ZINC001571189642 952931551 /nfs/dbraw/zinc/93/15/51/952931551.db2.gz ZKPIDVJTKFIRND-HNNXBMFYSA-N -1 3 381.444 0.934 20 0 GCADHM Cc1ncc(C(=O)N(C)[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)n1C ZINC001571189582 952932456 /nfs/dbraw/zinc/93/24/56/952932456.db2.gz XTMLJKYORKGHSH-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1ncc(C(=O)N(C)[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)n1C ZINC001571189582 952932458 /nfs/dbraw/zinc/93/24/58/952932458.db2.gz XTMLJKYORKGHSH-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cn1cc(CCN2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001571189823 952935805 /nfs/dbraw/zinc/93/58/05/952935805.db2.gz WAWDITKJUJTPQQ-GASCZTMLSA-N -1 3 381.444 0.460 20 0 GCADHM Cn1cc(CCN2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001571189823 952935811 /nfs/dbraw/zinc/93/58/11/952935811.db2.gz WAWDITKJUJTPQQ-GASCZTMLSA-N -1 3 381.444 0.460 20 0 GCADHM Cc1nc(N(C)C[C@@H]2CCCN2C(=O)Cn2cccn2)ccc1-c1nnn[n-]1 ZINC001571189898 952935839 /nfs/dbraw/zinc/93/58/39/952935839.db2.gz YWBIHPXOAIQLPJ-AWEZNQCLSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1nc(N(C)C[C@@H]2CCCN2C(=O)Cn2cccn2)ccc1-c1nn[n-]n1 ZINC001571189898 952935842 /nfs/dbraw/zinc/93/58/42/952935842.db2.gz YWBIHPXOAIQLPJ-AWEZNQCLSA-N -1 3 381.444 0.894 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2cc3n(n2)CCC3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571189847 952936354 /nfs/dbraw/zinc/93/63/54/952936354.db2.gz XHLHYEHASIZOBV-GFCCVEGCSA-N -1 3 381.444 0.732 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2cc3n(n2)CCC3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571189847 952936361 /nfs/dbraw/zinc/93/63/61/952936361.db2.gz XHLHYEHASIZOBV-GFCCVEGCSA-N -1 3 381.444 0.732 20 0 GCADHM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)C1 ZINC001571193895 952954479 /nfs/dbraw/zinc/95/44/79/952954479.db2.gz AOEWZGOMFAIUCN-WDEREUQCSA-N -1 3 382.384 0.975 20 0 GCADHM COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)C1 ZINC001571193895 952954490 /nfs/dbraw/zinc/95/44/90/952954490.db2.gz AOEWZGOMFAIUCN-WDEREUQCSA-N -1 3 382.384 0.975 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)no1 ZINC001571193943 952955525 /nfs/dbraw/zinc/95/55/25/952955525.db2.gz BIQCRSKDQNRRCB-IINYFYTJSA-N -1 3 382.384 0.478 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)no1 ZINC001571193943 952955528 /nfs/dbraw/zinc/95/55/28/952955528.db2.gz BIQCRSKDQNRRCB-IINYFYTJSA-N -1 3 382.384 0.478 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 ZINC001571194011 952955780 /nfs/dbraw/zinc/95/57/80/952955780.db2.gz DWMCJTCPPLLOAV-NSHDSACASA-N -1 3 382.384 0.456 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 ZINC001571194011 952955783 /nfs/dbraw/zinc/95/57/83/952955783.db2.gz DWMCJTCPPLLOAV-NSHDSACASA-N -1 3 382.384 0.456 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1conc1C1CC1 ZINC001571193948 952955891 /nfs/dbraw/zinc/95/58/91/952955891.db2.gz BKSOSSLXIHPQMQ-ZIAGYGMSSA-N -1 3 382.384 0.107 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1conc1C1CC1 ZINC001571193948 952955897 /nfs/dbraw/zinc/95/58/97/952955897.db2.gz BKSOSSLXIHPQMQ-ZIAGYGMSSA-N -1 3 382.384 0.107 20 0 GCADHM COc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)ccc2-c2nnn[n-]2)co1 ZINC001571194031 952956913 /nfs/dbraw/zinc/95/69/13/952956913.db2.gz FDONYAAQVMMYEM-QWRGUYRKSA-N -1 3 382.384 0.670 20 0 GCADHM COc1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)ccc2-c2nn[n-]n2)co1 ZINC001571194031 952956916 /nfs/dbraw/zinc/95/69/16/952956916.db2.gz FDONYAAQVMMYEM-QWRGUYRKSA-N -1 3 382.384 0.670 20 0 GCADHM O=C(N[C@@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C12CCC2)c1cnco1 ZINC001571194079 952957017 /nfs/dbraw/zinc/95/70/17/952957017.db2.gz FRRLKAPTSUKWGF-QWHCGFSZSA-N -1 3 382.384 0.654 20 0 GCADHM O=C(N[C@@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C12CCC2)c1cnco1 ZINC001571194079 952957023 /nfs/dbraw/zinc/95/70/23/952957023.db2.gz FRRLKAPTSUKWGF-QWHCGFSZSA-N -1 3 382.384 0.654 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2cc(C3CC3)no2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194157 952958094 /nfs/dbraw/zinc/95/80/94/952958094.db2.gz HLXOLDKPAZBCGM-XYPYZODXSA-N -1 3 382.384 0.751 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2cc(C3CC3)no2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194157 952958103 /nfs/dbraw/zinc/95/81/03/952958103.db2.gz HLXOLDKPAZBCGM-XYPYZODXSA-N -1 3 382.384 0.751 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194204 952959370 /nfs/dbraw/zinc/95/93/70/952959370.db2.gz ISTKRFXUMPASSF-LBPRGKRZSA-N -1 3 382.384 0.330 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194204 952959372 /nfs/dbraw/zinc/95/93/72/952959372.db2.gz ISTKRFXUMPASSF-LBPRGKRZSA-N -1 3 382.384 0.330 20 0 GCADHM Cc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571194234 952959630 /nfs/dbraw/zinc/95/96/30/952959630.db2.gz JFCSVEAJLUVYEW-ICCXJUOJSA-N -1 3 382.384 0.667 20 0 GCADHM Cc1ncoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571194234 952959638 /nfs/dbraw/zinc/95/96/38/952959638.db2.gz JFCSVEAJLUVYEW-ICCXJUOJSA-N -1 3 382.384 0.667 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccon1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571194398 952962297 /nfs/dbraw/zinc/96/22/97/952962297.db2.gz LNZJCBYKWXKFHM-FGWVZKOKSA-N -1 3 382.384 0.748 20 0 GCADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccon1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571194398 952962299 /nfs/dbraw/zinc/96/22/99/952962299.db2.gz LNZJCBYKWXKFHM-FGWVZKOKSA-N -1 3 382.384 0.748 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccc(=O)[nH]1 ZINC001571194430 952962721 /nfs/dbraw/zinc/96/27/21/952962721.db2.gz MHSVJPJRYOMWHK-SNVBAGLBSA-N -1 3 382.384 0.188 20 0 GCADHM O=C(NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccc(=O)[nH]1 ZINC001571194430 952962726 /nfs/dbraw/zinc/96/27/26/952962726.db2.gz MHSVJPJRYOMWHK-SNVBAGLBSA-N -1 3 382.384 0.188 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2conc2C2CC2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571194437 952963334 /nfs/dbraw/zinc/96/33/34/952963334.db2.gz MRGDLEKVQRRVNV-MGCOHNPYSA-N -1 3 382.384 0.751 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2conc2C2CC2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571194437 952963340 /nfs/dbraw/zinc/96/33/40/952963340.db2.gz MRGDLEKVQRRVNV-MGCOHNPYSA-N -1 3 382.384 0.751 20 0 GCADHM CN(C(=O)c1ccc(=O)[nH]c1)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194549 952964679 /nfs/dbraw/zinc/96/46/79/952964679.db2.gz OVCDICSNUOOQGQ-LBPRGKRZSA-N -1 3 382.384 0.282 20 0 GCADHM CN(C(=O)c1ccc(=O)[nH]c1)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194549 952964686 /nfs/dbraw/zinc/96/46/86/952964686.db2.gz OVCDICSNUOOQGQ-LBPRGKRZSA-N -1 3 382.384 0.282 20 0 GCADHM CN(C(=O)c1cc[nH]c(=O)c1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571194630 952965912 /nfs/dbraw/zinc/96/59/12/952965912.db2.gz PEVPXLNLHJURNP-NSHDSACASA-N -1 3 382.384 0.282 20 0 GCADHM CN(C(=O)c1cc[nH]c(=O)c1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571194630 952965919 /nfs/dbraw/zinc/96/59/19/952965919.db2.gz PEVPXLNLHJURNP-NSHDSACASA-N -1 3 382.384 0.282 20 0 GCADHM O=C(NC1CC2(C1)CC(NC(=O)c1cnco1)C2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571194844 952969133 /nfs/dbraw/zinc/96/91/33/952969133.db2.gz STFMWGGZCAKHQI-UHFFFAOYSA-N -1 3 382.384 0.654 20 0 GCADHM O=C(NC1CC2(C1)CC(NC(=O)c1cnco1)C2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571194844 952969140 /nfs/dbraw/zinc/96/91/40/952969140.db2.gz STFMWGGZCAKHQI-UHFFFAOYSA-N -1 3 382.384 0.654 20 0 GCADHM O=C(NCCn1ccc(=O)[nH]c1=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001571194898 952970837 /nfs/dbraw/zinc/97/08/37/952970837.db2.gz VHZBURZEJFBHFR-UHFFFAOYSA-N -1 3 382.384 0.828 20 0 GCADHM O=C(NCCn1ccc(=O)[nH]c1=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001571194898 952970842 /nfs/dbraw/zinc/97/08/42/952970842.db2.gz VHZBURZEJFBHFR-UHFFFAOYSA-N -1 3 382.384 0.828 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)n1 ZINC001571195054 952972534 /nfs/dbraw/zinc/97/25/34/952972534.db2.gz XFLGOIQIYXIOCA-UHFFFAOYSA-N -1 3 382.384 0.224 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(C(=O)c3coc(C(N)=O)c3)CC2)n1 ZINC001571195054 952972539 /nfs/dbraw/zinc/97/25/39/952972539.db2.gz XFLGOIQIYXIOCA-UHFFFAOYSA-N -1 3 382.384 0.224 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2)c1cocn1 ZINC001571195108 952973524 /nfs/dbraw/zinc/97/35/24/952973524.db2.gz YTNUHCAFPODIMM-WCQGTBRESA-N -1 3 382.384 0.606 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2)c1cocn1 ZINC001571195108 952973527 /nfs/dbraw/zinc/97/35/27/952973527.db2.gz YTNUHCAFPODIMM-WCQGTBRESA-N -1 3 382.384 0.606 20 0 GCADHM Cc1nc(C(=O)N2CC3(C2)CCN(C(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)co1 ZINC001571195109 952973693 /nfs/dbraw/zinc/97/36/93/952973693.db2.gz YWJZAOGCDLRAFT-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM Cc1nc(C(=O)N2CC3(C2)CCN(C(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)co1 ZINC001571195109 952973698 /nfs/dbraw/zinc/97/36/98/952973698.db2.gz YWJZAOGCDLRAFT-UHFFFAOYSA-N -1 3 382.384 0.480 20 0 GCADHM O=C(NC[C@@H]1C[C@H](NC(=O)c2cc[nH]c(=O)c2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571195103 952974088 /nfs/dbraw/zinc/97/40/88/952974088.db2.gz YQHNHRRQQJHBLH-WVSHTKLVSA-N -1 3 382.384 0.234 20 0 GCADHM O=C(NC[C@@H]1C[C@H](NC(=O)c2cc[nH]c(=O)c2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571195103 952974091 /nfs/dbraw/zinc/97/40/91/952974091.db2.gz YQHNHRRQQJHBLH-WVSHTKLVSA-N -1 3 382.384 0.234 20 0 GCADHM O=C(Cc1ccon1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571195076 952974251 /nfs/dbraw/zinc/97/42/51/952974251.db2.gz XTBVLMLVABXSPC-TXEJJXNPSA-N -1 3 382.384 0.241 20 0 GCADHM O=C(Cc1ccon1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571195076 952974255 /nfs/dbraw/zinc/97/42/55/952974255.db2.gz XTBVLMLVABXSPC-TXEJJXNPSA-N -1 3 382.384 0.241 20 0 GCADHM Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ccn1C ZINC001571198887 952994159 /nfs/dbraw/zinc/99/41/59/952994159.db2.gz HUBNIXKHVBGPTE-GXFFZTMASA-N -1 3 382.428 0.875 20 0 GCADHM Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ccn1C ZINC001571198887 952994162 /nfs/dbraw/zinc/99/41/62/952994162.db2.gz HUBNIXKHVBGPTE-GXFFZTMASA-N -1 3 382.428 0.875 20 0 GCADHM CCc1cnc(CN2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)o1 ZINC001571199243 952997885 /nfs/dbraw/zinc/99/78/85/952997885.db2.gz ODJHNHVTMAGQJY-ZSOGYDGISA-N -1 3 382.428 0.853 20 0 GCADHM COc1cc(CN2CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)ccn1 ZINC001571199471 953000776 /nfs/dbraw/zinc/00/07/76/953000776.db2.gz SDKYJKPNIDVJHI-ZDUSSCGKSA-N -1 3 382.428 0.993 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1C ZINC001571201053 953013667 /nfs/dbraw/zinc/01/36/67/953013667.db2.gz IYVXSTJPJIQNQC-CYBMUJFWSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1C ZINC001571201053 953013670 /nfs/dbraw/zinc/01/36/70/953013670.db2.gz IYVXSTJPJIQNQC-CYBMUJFWSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1ccncc1CN1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571201332 953016241 /nfs/dbraw/zinc/01/62/41/953016241.db2.gz KCXUAKDEMSUEPV-OAHLLOKOSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1ccncc1CN1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571201332 953016243 /nfs/dbraw/zinc/01/62/43/953016243.db2.gz KCXUAKDEMSUEPV-OAHLLOKOSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)n1C ZINC001571201315 953016297 /nfs/dbraw/zinc/01/62/97/953016297.db2.gz JYCBTHKGOFQHMC-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)n1C ZINC001571201315 953016300 /nfs/dbraw/zinc/01/63/00/953016300.db2.gz JYCBTHKGOFQHMC-YPMHNXCESA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001571201506 953018832 /nfs/dbraw/zinc/01/88/32/953018832.db2.gz QUXXTXDHFRBFHR-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001571201506 953018835 /nfs/dbraw/zinc/01/88/35/953018835.db2.gz QUXXTXDHFRBFHR-OLZOCXBDSA-N -1 3 382.428 0.978 20 0 GCADHM CS(=O)(=O)CC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571202477 953025528 /nfs/dbraw/zinc/02/55/28/953025528.db2.gz YJKCRIOIWVDEKK-SNVBAGLBSA-N -1 3 382.421 0.453 20 0 GCADHM CS(=O)(=O)CC(=O)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571202477 953025533 /nfs/dbraw/zinc/02/55/33/953025533.db2.gz YJKCRIOIWVDEKK-SNVBAGLBSA-N -1 3 382.421 0.453 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC001571202456 953025643 /nfs/dbraw/zinc/02/56/43/953025643.db2.gz XMTSDCYJNZDBFS-GJZGRUSLSA-N -1 3 382.428 0.464 20 0 GCADHM CC(C)c1[nH]ccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001571202463 953025675 /nfs/dbraw/zinc/02/56/75/953025675.db2.gz XUYIRFMNTQBGSI-CABCVRRESA-N -1 3 382.428 0.693 20 0 GCADHM CC(C)c1[nH]ccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001571202463 953025679 /nfs/dbraw/zinc/02/56/79/953025679.db2.gz XUYIRFMNTQBGSI-CABCVRRESA-N -1 3 382.428 0.693 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@@H]2CN(C)c2ncccc2-c2nnn[n-]2)nn1 ZINC001571204587 953030301 /nfs/dbraw/zinc/03/03/01/953030301.db2.gz BIPMYSAHALDWNK-GFCCVEGCSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@@H]2CN(C)c2ncccc2-c2nn[n-]n2)nn1 ZINC001571204587 953030306 /nfs/dbraw/zinc/03/03/06/953030306.db2.gz BIPMYSAHALDWNK-GFCCVEGCSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001571204534 953030503 /nfs/dbraw/zinc/03/05/03/953030503.db2.gz AIUFEKDHTSAHCN-GFCCVEGCSA-N -1 3 382.432 0.472 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001571204534 953030506 /nfs/dbraw/zinc/03/05/06/953030506.db2.gz AIUFEKDHTSAHCN-GFCCVEGCSA-N -1 3 382.432 0.472 20 0 GCADHM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001571204653 953031109 /nfs/dbraw/zinc/03/11/09/953031109.db2.gz CAPZZDAAMDBLHX-NEPJUHHUSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001571204653 953031115 /nfs/dbraw/zinc/03/11/15/953031115.db2.gz CAPZZDAAMDBLHX-NEPJUHHUSA-N -1 3 382.432 0.662 20 0 GCADHM Cn1cccc1C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571204674 953031210 /nfs/dbraw/zinc/03/12/10/953031210.db2.gz BQHQOJGFCDEBCE-AWEZNQCLSA-N -1 3 382.428 0.943 20 0 GCADHM Cn1cccc1C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571204674 953031212 /nfs/dbraw/zinc/03/12/12/953031212.db2.gz BQHQOJGFCDEBCE-AWEZNQCLSA-N -1 3 382.428 0.943 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001571204831 953032450 /nfs/dbraw/zinc/03/24/50/953032450.db2.gz CEXAISOKTNVHBL-STQMWFEESA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001571204831 953032456 /nfs/dbraw/zinc/03/24/56/953032456.db2.gz CEXAISOKTNVHBL-STQMWFEESA-N -1 3 382.432 0.592 20 0 GCADHM CCc1cc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)nc(CC)n3)CC2)[nH]n1 ZINC001571205178 953035773 /nfs/dbraw/zinc/03/57/73/953035773.db2.gz GWRNQANWHXCIDZ-UHFFFAOYSA-N -1 3 382.432 0.467 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571205463 953038838 /nfs/dbraw/zinc/03/88/38/953038838.db2.gz JLQSLVSRKHIQPS-DGCLKSJQSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571205459 953038994 /nfs/dbraw/zinc/03/89/94/953038994.db2.gz JKLMTEQMEIFRGE-NWDGAFQWSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571205459 953038997 /nfs/dbraw/zinc/03/89/97/953038997.db2.gz JKLMTEQMEIFRGE-NWDGAFQWSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2cncn2C)C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571205629 953039906 /nfs/dbraw/zinc/03/99/06/953039906.db2.gz MBUXCBGQRNGKDQ-BXUZGUMPSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cncn2C)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571205630 953040039 /nfs/dbraw/zinc/04/00/39/953040039.db2.gz MBUXCBGQRNGKDQ-FZMZJTMJSA-N -1 3 382.432 0.282 20 0 GCADHM CCn1nncc1C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571205847 953043308 /nfs/dbraw/zinc/04/33/08/953043308.db2.gz CBSRQCXJJHIIJG-NWDGAFQWSA-N -1 3 382.432 0.884 20 0 GCADHM CCn1nncc1C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571205847 953043316 /nfs/dbraw/zinc/04/33/16/953043316.db2.gz CBSRQCXJJHIIJG-NWDGAFQWSA-N -1 3 382.432 0.884 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)Cc2cncn2C)CCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001571205892 953044030 /nfs/dbraw/zinc/04/40/30/953044030.db2.gz NMZZLKUWTSZXTD-VXGBXAGGSA-N -1 3 382.432 0.106 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571205875 953044116 /nfs/dbraw/zinc/04/41/16/953044116.db2.gz CSNCLLUOIMFHKL-NWDGAFQWSA-N -1 3 382.432 0.628 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571205875 953044117 /nfs/dbraw/zinc/04/41/17/953044117.db2.gz CSNCLLUOIMFHKL-NWDGAFQWSA-N -1 3 382.432 0.628 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2ccnn2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571205924 953044851 /nfs/dbraw/zinc/04/48/51/953044851.db2.gz OLIBDJSZYONBLB-TZMCWYRMSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2ccnn2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571205924 953044855 /nfs/dbraw/zinc/04/48/55/953044855.db2.gz OLIBDJSZYONBLB-TZMCWYRMSA-N -1 3 382.432 0.592 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571206141 953046688 /nfs/dbraw/zinc/04/66/88/953046688.db2.gz DPWLNOWXPXFAQP-NEPJUHHUSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571206141 953046691 /nfs/dbraw/zinc/04/66/91/953046691.db2.gz DPWLNOWXPXFAQP-NEPJUHHUSA-N -1 3 382.432 0.836 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571206119 953047139 /nfs/dbraw/zinc/04/71/39/953047139.db2.gz MMEPIUPSCKTZKM-TXEJJXNPSA-N -1 3 382.432 0.981 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571206119 953047141 /nfs/dbraw/zinc/04/71/41/953047141.db2.gz MMEPIUPSCKTZKM-TXEJJXNPSA-N -1 3 382.432 0.981 20 0 GCADHM C[C@H](Nc1cncc(-c2nnn[n-]2)n1)[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001571206348 953050303 /nfs/dbraw/zinc/05/03/03/953050303.db2.gz UDKACCQXTRWBPP-FZMZJTMJSA-N -1 3 382.432 0.804 20 0 GCADHM C[C@H](Nc1cncc(-c2nn[n-]n2)n1)[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001571206348 953050306 /nfs/dbraw/zinc/05/03/06/953050306.db2.gz UDKACCQXTRWBPP-FZMZJTMJSA-N -1 3 382.432 0.804 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CCc1c[nH]cn1 ZINC001571206342 953050329 /nfs/dbraw/zinc/05/03/29/953050329.db2.gz UCBSNWVCHOVZDE-VXGBXAGGSA-N -1 3 382.432 0.804 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cc2[nH]cnc2C)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571206344 953050394 /nfs/dbraw/zinc/05/03/94/953050394.db2.gz UDGNDQPQKRGFLW-WCQYABFASA-N -1 3 382.432 0.404 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206327 953050405 /nfs/dbraw/zinc/05/04/05/953050405.db2.gz TYQBGYGOIUDZDO-NWDGAFQWSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](NC(=O)c1cn(C)nn1)[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571206478 953051697 /nfs/dbraw/zinc/05/16/97/953051697.db2.gz UXVGSNOUDZKZLN-NWDGAFQWSA-N -1 3 382.432 0.425 20 0 GCADHM C[C@H](NC(=O)c1cn(C)nn1)[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571206478 953051706 /nfs/dbraw/zinc/05/17/06/953051706.db2.gz UXVGSNOUDZKZLN-NWDGAFQWSA-N -1 3 382.432 0.425 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571206508 953051857 /nfs/dbraw/zinc/05/18/57/953051857.db2.gz VBZQQPLGMPTZKN-YPMHNXCESA-N -1 3 382.432 0.662 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571206508 953051861 /nfs/dbraw/zinc/05/18/61/953051861.db2.gz VBZQQPLGMPTZKN-YPMHNXCESA-N -1 3 382.432 0.662 20 0 GCADHM CCN(C(=O)c1ncn(C)n1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571206533 953052363 /nfs/dbraw/zinc/05/23/63/953052363.db2.gz VECVVMBNNWEHCS-LBPRGKRZSA-N -1 3 382.432 0.440 20 0 GCADHM CCN(C(=O)c1ncn(C)n1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571206533 953052365 /nfs/dbraw/zinc/05/23/65/953052365.db2.gz VECVVMBNNWEHCS-LBPRGKRZSA-N -1 3 382.432 0.440 20 0 GCADHM CCCn1ncnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571206672 953054220 /nfs/dbraw/zinc/05/42/20/953054220.db2.gz WBFXGOVEBVDKAZ-RYUDHWBXSA-N -1 3 382.432 0.295 20 0 GCADHM CCCn1ncnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571206672 953054224 /nfs/dbraw/zinc/05/42/24/953054224.db2.gz WBFXGOVEBVDKAZ-RYUDHWBXSA-N -1 3 382.432 0.295 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571206756 953054852 /nfs/dbraw/zinc/05/48/52/953054852.db2.gz XBYDDOZBCXZKFR-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571206756 953054855 /nfs/dbraw/zinc/05/48/55/953054855.db2.gz XBYDDOZBCXZKFR-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM CCN(C(=O)c1cnn(CC)c1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206749 953055154 /nfs/dbraw/zinc/05/51/54/953055154.db2.gz XAWDQZXJDQTXRQ-ZDUSSCGKSA-N -1 3 382.432 0.614 20 0 GCADHM CCN(C(=O)c1cnn(CC)c1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571206749 953055157 /nfs/dbraw/zinc/05/51/57/953055157.db2.gz XAWDQZXJDQTXRQ-ZDUSSCGKSA-N -1 3 382.432 0.614 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 ZINC001571206742 953055250 /nfs/dbraw/zinc/05/52/50/953055250.db2.gz KBLYIOIJCJDSMT-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN(C(=O)c3ccn(C)n3)C2)n1 ZINC001571206742 953055254 /nfs/dbraw/zinc/05/52/54/953055254.db2.gz KBLYIOIJCJDSMT-LBPRGKRZSA-N -1 3 382.432 0.663 20 0 GCADHM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001571206862 953055794 /nfs/dbraw/zinc/05/57/94/953055794.db2.gz YJPHJGUUKGZBCE-NEPJUHHUSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001571206862 953055800 /nfs/dbraw/zinc/05/58/00/953055800.db2.gz YJPHJGUUKGZBCE-NEPJUHHUSA-N -1 3 382.432 0.662 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571206928 953057015 /nfs/dbraw/zinc/05/70/15/953057015.db2.gz UBKVDFFIBJTELO-ILXRZTDVSA-N -1 3 382.428 0.110 20 0 GCADHM O=C([C@H]1CCC(=O)N1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571206928 953057018 /nfs/dbraw/zinc/05/70/18/953057018.db2.gz UBKVDFFIBJTELO-ILXRZTDVSA-N -1 3 382.428 0.110 20 0 GCADHM O=C(NCC1CN(Cc2noc3c2CCCC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571206951 953057506 /nfs/dbraw/zinc/05/75/06/953057506.db2.gz USIGGPAXVOEVNR-UHFFFAOYSA-N -1 3 382.428 0.923 20 0 GCADHM O=C(NCC1CN(Cc2noc3c2CCCC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571206951 953057510 /nfs/dbraw/zinc/05/75/10/953057510.db2.gz USIGGPAXVOEVNR-UHFFFAOYSA-N -1 3 382.428 0.923 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1)c1ccn(C)n1 ZINC001571206983 953058542 /nfs/dbraw/zinc/05/85/42/953058542.db2.gz YWKKZNJJCHMRNK-GFCCVEGCSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1)c1ccn(C)n1 ZINC001571206983 953058546 /nfs/dbraw/zinc/05/85/46/953058546.db2.gz YWKKZNJJCHMRNK-GFCCVEGCSA-N -1 3 382.432 0.588 20 0 GCADHM CCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)nn1 ZINC001571207090 953059217 /nfs/dbraw/zinc/05/92/17/953059217.db2.gz MWFHTJUNBYHXCS-GFCCVEGCSA-N -1 3 382.432 0.580 20 0 GCADHM CCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)nn1 ZINC001571207090 953059220 /nfs/dbraw/zinc/05/92/20/953059220.db2.gz MWFHTJUNBYHXCS-GFCCVEGCSA-N -1 3 382.432 0.580 20 0 GCADHM CCn1nnc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571207145 953060030 /nfs/dbraw/zinc/06/00/30/953060030.db2.gz NTSJZEKIBJXHQL-STQMWFEESA-N -1 3 382.432 0.214 20 0 GCADHM CCn1nnc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571207145 953060034 /nfs/dbraw/zinc/06/00/34/953060034.db2.gz NTSJZEKIBJXHQL-STQMWFEESA-N -1 3 382.432 0.214 20 0 GCADHM O=C(Cc1ccc[nH]1)N[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571207117 953060155 /nfs/dbraw/zinc/06/01/55/953060155.db2.gz VXDOWJMUOUJTBF-QWHCGFSZSA-N -1 3 382.428 0.923 20 0 GCADHM O=C(Cc1ccc[nH]1)N[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571207117 953060157 /nfs/dbraw/zinc/06/01/57/953060157.db2.gz VXDOWJMUOUJTBF-QWHCGFSZSA-N -1 3 382.428 0.923 20 0 GCADHM CCn1ncnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571207412 953062827 /nfs/dbraw/zinc/06/28/27/953062827.db2.gz QZYSHYVVDSXOKD-DYEKYZERSA-N -1 3 382.432 0.342 20 0 GCADHM CCn1ncnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571207412 953062830 /nfs/dbraw/zinc/06/28/30/953062830.db2.gz QZYSHYVVDSXOKD-DYEKYZERSA-N -1 3 382.432 0.342 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)nnn1C ZINC001571207484 953063379 /nfs/dbraw/zinc/06/33/79/953063379.db2.gz UCSKERIGFLMMKB-CMPLNLGQSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1c(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)nnn1C ZINC001571207484 953063382 /nfs/dbraw/zinc/06/33/82/953063382.db2.gz UCSKERIGFLMMKB-CMPLNLGQSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1c(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)nnn1C ZINC001571207485 953063398 /nfs/dbraw/zinc/06/33/98/953063398.db2.gz UCSKERIGFLMMKB-JQWIXIFHSA-N -1 3 382.432 0.661 20 0 GCADHM Cc1c(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)nnn1C ZINC001571207485 953063401 /nfs/dbraw/zinc/06/34/01/953063401.db2.gz UCSKERIGFLMMKB-JQWIXIFHSA-N -1 3 382.432 0.661 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@@H](C)C2)n1 ZINC001571207440 953063595 /nfs/dbraw/zinc/06/35/95/953063595.db2.gz RPPWVWPRFBDNGA-AAEUAGOBSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@@H](C)C2)n1 ZINC001571207440 953063600 /nfs/dbraw/zinc/06/36/00/953063600.db2.gz RPPWVWPRFBDNGA-AAEUAGOBSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571207670 953064973 /nfs/dbraw/zinc/06/49/73/953064973.db2.gz ZMJQEGIXUAKVIX-LBPRGKRZSA-N -1 3 382.432 0.532 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571207670 953064976 /nfs/dbraw/zinc/06/49/76/953064976.db2.gz ZMJQEGIXUAKVIX-LBPRGKRZSA-N -1 3 382.432 0.532 20 0 GCADHM CCn1nncc1C(=O)N1CCC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571207620 953065519 /nfs/dbraw/zinc/06/55/19/953065519.db2.gz YCJBGFNQXGUBNC-ZDUSSCGKSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1nncc1C(=O)N1CCC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571207620 953065522 /nfs/dbraw/zinc/06/55/22/953065522.db2.gz YCJBGFNQXGUBNC-ZDUSSCGKSA-N -1 3 382.432 0.614 20 0 GCADHM CC(C)(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)[C@]1(O)CCCOC1 ZINC001571209832 953067991 /nfs/dbraw/zinc/06/79/91/953067991.db2.gz GEXBLIWZVVUNAB-HNNXBMFYSA-N -1 3 382.446 0.108 20 0 GCADHM CC(C)(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)[C@]1(O)CCCOC1 ZINC001571209832 953067995 /nfs/dbraw/zinc/06/79/95/953067995.db2.gz GEXBLIWZVVUNAB-HNNXBMFYSA-N -1 3 382.446 0.108 20 0 GCADHM O=C(Cn1ccnc1)N[C@H]1CCCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571210219 953071290 /nfs/dbraw/zinc/07/12/90/953071290.db2.gz ONGRSDDGPXWAJX-STQMWFEESA-N -1 3 382.432 0.640 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571210571 953072652 /nfs/dbraw/zinc/07/26/52/953072652.db2.gz SOWWHPGRJZJRMZ-AULYBMBSSA-N -1 3 382.432 0.791 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571210571 953072656 /nfs/dbraw/zinc/07/26/56/953072656.db2.gz SOWWHPGRJZJRMZ-AULYBMBSSA-N -1 3 382.432 0.791 20 0 GCADHM Cn1ncc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571210645 953074003 /nfs/dbraw/zinc/07/40/03/953074003.db2.gz VGESZHGSMMXONG-GJZGRUSLSA-N -1 3 382.432 0.202 20 0 GCADHM Cn1ncc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571210645 953074008 /nfs/dbraw/zinc/07/40/08/953074008.db2.gz VGESZHGSMMXONG-GJZGRUSLSA-N -1 3 382.432 0.202 20 0 GCADHM Cc1nc(NC[C@@H]2CCCN2C(=O)c2cnn(C)c2N)ccc1-c1nnn[n-]1 ZINC001571211434 953076203 /nfs/dbraw/zinc/07/62/03/953076203.db2.gz AMUWIQROFFJIKP-NSHDSACASA-N -1 3 382.432 0.603 20 0 GCADHM Cc1nc(NC[C@@H]2CCCN2C(=O)c2cnn(C)c2N)ccc1-c1nn[n-]n1 ZINC001571211434 953076207 /nfs/dbraw/zinc/07/62/07/953076207.db2.gz AMUWIQROFFJIKP-NSHDSACASA-N -1 3 382.432 0.603 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571211409 953076385 /nfs/dbraw/zinc/07/63/85/953076385.db2.gz ADRGABNFAWQMKR-AAEUAGOBSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571211409 953076388 /nfs/dbraw/zinc/07/63/88/953076388.db2.gz ADRGABNFAWQMKR-AAEUAGOBSA-N -1 3 382.432 0.335 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571210910 953076500 /nfs/dbraw/zinc/07/65/00/953076500.db2.gz ZXGGXMPWWMCRHU-OCCSQVGLSA-N -1 3 382.432 0.640 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571210910 953076503 /nfs/dbraw/zinc/07/65/03/953076503.db2.gz ZXGGXMPWWMCRHU-OCCSQVGLSA-N -1 3 382.432 0.640 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)Cn3cncn3)C[C@@H]2C)ccc1-c1nnn[n-]1 ZINC001571211468 953076604 /nfs/dbraw/zinc/07/66/04/953076604.db2.gz BGRWOAVBCQULHN-AAEUAGOBSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)Cn3cncn3)C[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001571211468 953076607 /nfs/dbraw/zinc/07/66/07/953076607.db2.gz BGRWOAVBCQULHN-AAEUAGOBSA-N -1 3 382.432 0.335 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C(C)(C)C1 ZINC001571211492 953077132 /nfs/dbraw/zinc/07/71/32/953077132.db2.gz BSHJOINETYDVGH-ZDUSSCGKSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cncn1CC(=O)N1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C(C)(C)C1 ZINC001571211492 953077133 /nfs/dbraw/zinc/07/71/33/953077133.db2.gz BSHJOINETYDVGH-ZDUSSCGKSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)Cn3cncn3)C[C@@H]2C)ccc1-c1nnn[n-]1 ZINC001571211470 953077501 /nfs/dbraw/zinc/07/75/01/953077501.db2.gz BGRWOAVBCQULHN-WCQYABFASA-N -1 3 382.432 0.335 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)Cn3cncn3)C[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001571211470 953077504 /nfs/dbraw/zinc/07/75/04/953077504.db2.gz BGRWOAVBCQULHN-WCQYABFASA-N -1 3 382.432 0.335 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)[nH]n1 ZINC001571211609 953078344 /nfs/dbraw/zinc/07/83/44/953078344.db2.gz CCGNGEFACHOFTR-JQWIXIFHSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)[nH]n1 ZINC001571211609 953078346 /nfs/dbraw/zinc/07/83/46/953078346.db2.gz CCGNGEFACHOFTR-JQWIXIFHSA-N -1 3 382.432 0.899 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)nc3)C2)c1N ZINC001571211617 953078482 /nfs/dbraw/zinc/07/84/82/953078482.db2.gz CSIWIFLMLPFLQS-LLVKDONJSA-N -1 3 382.432 0.542 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nc3)C2)c1N ZINC001571211617 953078487 /nfs/dbraw/zinc/07/84/87/953078487.db2.gz CSIWIFLMLPFLQS-LLVKDONJSA-N -1 3 382.432 0.542 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)[C@@H](C)C1 ZINC001571211633 953079867 /nfs/dbraw/zinc/07/98/67/953079867.db2.gz DFDHMJVECWJTER-AAEUAGOBSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)[C@@H](C)C1 ZINC001571211633 953079873 /nfs/dbraw/zinc/07/98/73/953079873.db2.gz DFDHMJVECWJTER-AAEUAGOBSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001571211874 953081513 /nfs/dbraw/zinc/08/15/13/953081513.db2.gz HTHQHPUYEWGACK-UHFFFAOYSA-N -1 3 382.432 0.966 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001571211874 953081515 /nfs/dbraw/zinc/08/15/15/953081515.db2.gz HTHQHPUYEWGACK-UHFFFAOYSA-N -1 3 382.432 0.966 20 0 GCADHM Cc1nnc(CN2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1C1CC1 ZINC001571212124 953083845 /nfs/dbraw/zinc/08/38/45/953083845.db2.gz JHTREGSBDOYVEZ-UHFFFAOYSA-N -1 3 382.432 0.291 20 0 GCADHM Cc1nnc(CN2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1C1CC1 ZINC001571212124 953083850 /nfs/dbraw/zinc/08/38/50/953083850.db2.gz JHTREGSBDOYVEZ-UHFFFAOYSA-N -1 3 382.432 0.291 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)Cn3cncn3)CC2)ccc1-c1nnn[n-]1 ZINC001571212136 953085289 /nfs/dbraw/zinc/08/52/89/953085289.db2.gz JLJVOCXCTCTNQQ-ZDUSSCGKSA-N -1 3 382.432 0.337 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)Cn3cncn3)CC2)ccc1-c1nn[n-]n1 ZINC001571212136 953085294 /nfs/dbraw/zinc/08/52/94/953085294.db2.gz JLJVOCXCTCTNQQ-ZDUSSCGKSA-N -1 3 382.432 0.337 20 0 GCADHM Cn1ncc(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C(C)(C)C2)c1N ZINC001571212720 953090726 /nfs/dbraw/zinc/09/07/26/953090726.db2.gz ONGOLRQEAWUBHN-GFCCVEGCSA-N -1 3 382.432 0.540 20 0 GCADHM Cn1ncc(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C(C)(C)C2)c1N ZINC001571212720 953090728 /nfs/dbraw/zinc/09/07/28/953090728.db2.gz ONGOLRQEAWUBHN-GFCCVEGCSA-N -1 3 382.432 0.540 20 0 GCADHM Cc1nc(N[C@H]2CCC[C@H](NC(=O)Cn3cncn3)C2)ccc1-c1nnn[n-]1 ZINC001571213016 953092623 /nfs/dbraw/zinc/09/26/23/953092623.db2.gz PSHBBWQLVOTVBB-STQMWFEESA-N -1 3 382.432 0.701 20 0 GCADHM Cc1nc(N[C@H]2CCC[C@H](NC(=O)Cn3cncn3)C2)ccc1-c1nn[n-]n1 ZINC001571213016 953092630 /nfs/dbraw/zinc/09/26/30/953092630.db2.gz PSHBBWQLVOTVBB-STQMWFEESA-N -1 3 382.432 0.701 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001571213424 953094727 /nfs/dbraw/zinc/09/47/27/953094727.db2.gz SPADXVYGHSVRID-ZDUSSCGKSA-N -1 3 382.432 0.337 20 0 GCADHM Cc1cncn1CC(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001571213424 953094732 /nfs/dbraw/zinc/09/47/32/953094732.db2.gz SPADXVYGHSVRID-ZDUSSCGKSA-N -1 3 382.432 0.337 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)[C@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)n1 ZINC001571213459 953095702 /nfs/dbraw/zinc/09/57/02/953095702.db2.gz UIKRXBMCBBIEDE-LBPRGKRZSA-N -1 3 382.432 0.358 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571214217 953100435 /nfs/dbraw/zinc/10/04/35/953100435.db2.gz ZILAJPDBFHKKMU-KRWDZBQOSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1nccn1CC(=O)N1CC[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571214217 953100438 /nfs/dbraw/zinc/10/04/38/953100438.db2.gz ZILAJPDBFHKKMU-KRWDZBQOSA-N -1 3 382.432 0.512 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001571214155 953100649 /nfs/dbraw/zinc/10/06/49/953100649.db2.gz YPYTZTDOPIOLRZ-WCQYABFASA-N -1 3 382.432 0.791 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001571214155 953100652 /nfs/dbraw/zinc/10/06/52/953100652.db2.gz YPYTZTDOPIOLRZ-WCQYABFASA-N -1 3 382.432 0.791 20 0 GCADHM CCc1nc[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nnn[n-]2)cc1F ZINC001571216647 953102703 /nfs/dbraw/zinc/10/27/03/953102703.db2.gz AMUUNLIOEMYFPM-QWRGUYRKSA-N -1 3 383.391 0.790 20 0 GCADHM CCc1nc[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1F ZINC001571216647 953102704 /nfs/dbraw/zinc/10/27/04/953102704.db2.gz AMUUNLIOEMYFPM-QWRGUYRKSA-N -1 3 383.391 0.790 20 0 GCADHM O=C(NC1CC2(C1)CC(NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2)c1cnon1 ZINC001571217095 953105533 /nfs/dbraw/zinc/10/55/33/953105533.db2.gz GPEORRIIPODTEE-UHFFFAOYSA-N -1 3 383.372 0.049 20 0 GCADHM O=C(NC1CC2(C1)CC(NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2)c1cnon1 ZINC001571217095 953105534 /nfs/dbraw/zinc/10/55/34/953105534.db2.gz GPEORRIIPODTEE-UHFFFAOYSA-N -1 3 383.372 0.049 20 0 GCADHM CN1CCOC[C@]1(CO)CNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001571217242 953106476 /nfs/dbraw/zinc/10/64/76/953106476.db2.gz CYCXWMUUXIOXJN-CQSZACIVSA-N -1 3 383.250 0.734 20 0 GCADHM CN1CCOC[C@]1(CO)CNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001571217242 953106478 /nfs/dbraw/zinc/10/64/78/953106478.db2.gz CYCXWMUUXIOXJN-CQSZACIVSA-N -1 3 383.250 0.734 20 0 GCADHM O=C(CN1CCCC1)N[C@H]1CCN(c2snc(Cl)c2-c2nnn[n-]2)C1 ZINC001571217312 953106747 /nfs/dbraw/zinc/10/67/47/953106747.db2.gz FJMRAFDXGVUTSP-VIFPVBQESA-N -1 3 382.881 0.767 20 0 GCADHM COc1coc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571217280 953106757 /nfs/dbraw/zinc/10/67/57/953106757.db2.gz DLJPDIASLLXEBM-NSHDSACASA-N -1 3 383.368 0.232 20 0 GCADHM COc1coc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571217280 953106759 /nfs/dbraw/zinc/10/67/59/953106759.db2.gz DLJPDIASLLXEBM-NSHDSACASA-N -1 3 383.368 0.232 20 0 GCADHM O=C(CCc1cncnc1)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571218590 953116954 /nfs/dbraw/zinc/11/69/54/953116954.db2.gz CALSWYGMTRYQPW-CYBMUJFWSA-N -1 3 383.391 0.836 20 0 GCADHM O=C(CCc1cncnc1)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571218590 953116958 /nfs/dbraw/zinc/11/69/58/953116958.db2.gz CALSWYGMTRYQPW-CYBMUJFWSA-N -1 3 383.391 0.836 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)[C@@H](F)c1ccccc1 ZINC001571218728 953118777 /nfs/dbraw/zinc/11/87/77/953118777.db2.gz ZVTIDIIKNTYXON-ILXRZTDVSA-N -1 3 383.387 0.638 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)[C@@H](F)c1ccccc1 ZINC001571218728 953118779 /nfs/dbraw/zinc/11/87/79/953118779.db2.gz ZVTIDIIKNTYXON-ILXRZTDVSA-N -1 3 383.387 0.638 20 0 GCADHM CCCc1occc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001571219021 953121326 /nfs/dbraw/zinc/12/13/26/953121326.db2.gz JRSCXAXUYQZZQQ-ZIAGYGMSSA-N -1 3 383.412 0.787 20 0 GCADHM CCCc1occc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001571219021 953121329 /nfs/dbraw/zinc/12/13/29/953121329.db2.gz JRSCXAXUYQZZQQ-ZIAGYGMSSA-N -1 3 383.412 0.787 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571219213 953124289 /nfs/dbraw/zinc/12/42/89/953124289.db2.gz MDVCKDVELUEPHG-GFCCVEGCSA-N -1 3 383.391 0.898 20 0 GCADHM Cc1ccnc(C(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571219213 953124292 /nfs/dbraw/zinc/12/42/92/953124292.db2.gz MDVCKDVELUEPHG-GFCCVEGCSA-N -1 3 383.391 0.898 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1NC(=O)Cc1ccco1 ZINC001571219713 953126911 /nfs/dbraw/zinc/12/69/11/953126911.db2.gz QRUTYJYLYVXOAC-HUUCEWRRSA-N -1 3 383.412 0.726 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1NC(=O)Cc1ccco1 ZINC001571219713 953126914 /nfs/dbraw/zinc/12/69/14/953126914.db2.gz QRUTYJYLYVXOAC-HUUCEWRRSA-N -1 3 383.412 0.726 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)[C@@H](C)c1ccco1 ZINC001571219778 953127297 /nfs/dbraw/zinc/12/72/97/953127297.db2.gz SLWILPKKWUMPAM-NJZAAPMLSA-N -1 3 383.412 0.978 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)[C@@H](C)c1ccco1 ZINC001571219778 953127299 /nfs/dbraw/zinc/12/72/99/953127299.db2.gz SLWILPKKWUMPAM-NJZAAPMLSA-N -1 3 383.412 0.978 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2O)no1 ZINC001571220151 953129930 /nfs/dbraw/zinc/12/99/30/953129930.db2.gz XYXIFLVEDDIWBU-CVEARBPZSA-N -1 3 383.412 0.392 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222083 953130329 /nfs/dbraw/zinc/13/03/29/953130329.db2.gz BSRUEHPKXCZPLM-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222083 953130332 /nfs/dbraw/zinc/13/03/32/953130332.db2.gz BSRUEHPKXCZPLM-JQWIXIFHSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571222138 953131225 /nfs/dbraw/zinc/13/12/25/953131225.db2.gz CXIOVLLFZUGPRQ-ZYHUDNBSSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571222138 953131229 /nfs/dbraw/zinc/13/12/29/953131229.db2.gz CXIOVLLFZUGPRQ-ZYHUDNBSSA-N -1 3 383.416 0.664 20 0 GCADHM CCn1cnnc1CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001571222243 953132106 /nfs/dbraw/zinc/13/21/06/953132106.db2.gz BCPNZSSCFNBDQH-UHFFFAOYSA-N -1 3 383.416 0.903 20 0 GCADHM CCn1cnnc1CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001571222243 953132108 /nfs/dbraw/zinc/13/21/08/953132108.db2.gz BCPNZSSCFNBDQH-UHFFFAOYSA-N -1 3 383.416 0.903 20 0 GCADHM CN(C)Cc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)no1 ZINC001571222292 953133337 /nfs/dbraw/zinc/13/33/37/953133337.db2.gz DJQDHUUJGWSNRV-GFCCVEGCSA-N -1 3 383.416 0.638 20 0 GCADHM CN(C)Cc1cc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)no1 ZINC001571222292 953133339 /nfs/dbraw/zinc/13/33/39/953133339.db2.gz DJQDHUUJGWSNRV-GFCCVEGCSA-N -1 3 383.416 0.638 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571222331 953133504 /nfs/dbraw/zinc/13/35/04/953133504.db2.gz DRSXXKTYSASKBG-NSHDSACASA-N -1 3 383.416 0.509 20 0 GCADHM Cc1c[nH]c(C(=O)N2CCC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571222331 953133506 /nfs/dbraw/zinc/13/35/06/953133506.db2.gz DRSXXKTYSASKBG-NSHDSACASA-N -1 3 383.416 0.509 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)[nH]n1 ZINC001571222328 953133557 /nfs/dbraw/zinc/13/35/57/953133557.db2.gz GJIDKFRYPYGOTR-JOYOIKCWSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]n1 ZINC001571222328 953133560 /nfs/dbraw/zinc/13/35/60/953133560.db2.gz GJIDKFRYPYGOTR-JOYOIKCWSA-N -1 3 383.416 0.513 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(C(=O)Cn2cccn2)CC1 ZINC001571222451 953134713 /nfs/dbraw/zinc/13/47/13/953134713.db2.gz GABKKHLPJMXCLY-UHFFFAOYSA-N -1 3 383.416 0.155 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(C(=O)Cn2cccn2)CC1 ZINC001571222451 953134715 /nfs/dbraw/zinc/13/47/15/953134715.db2.gz GABKKHLPJMXCLY-UHFFFAOYSA-N -1 3 383.416 0.155 20 0 GCADHM COc1nccc(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571222444 953134774 /nfs/dbraw/zinc/13/47/74/953134774.db2.gz FUXVXNBIGVLNME-CYBMUJFWSA-N -1 3 383.416 0.340 20 0 GCADHM COc1nccc(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571222444 953134777 /nfs/dbraw/zinc/13/47/77/953134777.db2.gz FUXVXNBIGVLNME-CYBMUJFWSA-N -1 3 383.416 0.340 20 0 GCADHM COc1nc(C)cc(N2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571222480 953134903 /nfs/dbraw/zinc/13/49/03/953134903.db2.gz GJMGIPARPUZBDA-NSHDSACASA-N -1 3 383.416 0.558 20 0 GCADHM COc1nc(C)cc(N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571222480 953134904 /nfs/dbraw/zinc/13/49/04/953134904.db2.gz GJMGIPARPUZBDA-NSHDSACASA-N -1 3 383.416 0.558 20 0 GCADHM CCc1nc[nH]c1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571222438 953135121 /nfs/dbraw/zinc/13/51/21/953135121.db2.gz FRRJWHGJUPGOTP-UHFFFAOYSA-N -1 3 383.416 0.515 20 0 GCADHM CCc1nc[nH]c1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571222438 953135123 /nfs/dbraw/zinc/13/51/23/953135123.db2.gz FRRJWHGJUPGOTP-UHFFFAOYSA-N -1 3 383.416 0.515 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ccnn1C ZINC001571222519 953135867 /nfs/dbraw/zinc/13/58/67/953135867.db2.gz IDGAHSVSZZPICY-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ccnn1C ZINC001571222519 953135870 /nfs/dbraw/zinc/13/58/70/953135870.db2.gz IDGAHSVSZZPICY-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1ncccc1-c1nnn[n-]1)C2)C1=COCCO1 ZINC001571222597 953137054 /nfs/dbraw/zinc/13/70/54/953137054.db2.gz JTYGRAVTHXIDJE-SGTLLEGYSA-N -1 3 383.412 0.625 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1ncccc1-c1nn[n-]n1)C2)C1=COCCO1 ZINC001571222597 953137056 /nfs/dbraw/zinc/13/70/56/953137056.db2.gz JTYGRAVTHXIDJE-SGTLLEGYSA-N -1 3 383.412 0.625 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3ncn(C)n3)C2)cc1-c1nnn[n-]1 ZINC001571222689 953137981 /nfs/dbraw/zinc/13/79/81/953137981.db2.gz JFUXDHCAAYTOGM-LBPRGKRZSA-N -1 3 383.416 0.008 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3ncn(C)n3)C2)cc1-c1nn[n-]n1 ZINC001571222689 953137983 /nfs/dbraw/zinc/13/79/83/953137983.db2.gz JFUXDHCAAYTOGM-LBPRGKRZSA-N -1 3 383.416 0.008 20 0 GCADHM COc1nccc(CN2CC[C@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571222826 953139614 /nfs/dbraw/zinc/13/96/14/953139614.db2.gz MUZGNTJYURDNCP-LBPRGKRZSA-N -1 3 383.416 0.340 20 0 GCADHM COc1nccc(CN2CC[C@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571222826 953139619 /nfs/dbraw/zinc/13/96/19/953139619.db2.gz MUZGNTJYURDNCP-LBPRGKRZSA-N -1 3 383.416 0.340 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2COC(=O)C2)n1 ZINC001571222903 953139665 /nfs/dbraw/zinc/13/96/65/953139665.db2.gz NDQAXGIWOUQRMU-AGIUHOORSA-N -1 3 383.412 0.313 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2COC(=O)C2)n1 ZINC001571222903 953139668 /nfs/dbraw/zinc/13/96/68/953139668.db2.gz NDQAXGIWOUQRMU-AGIUHOORSA-N -1 3 383.412 0.313 20 0 GCADHM CCc1nc[nH]c1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571222939 953140440 /nfs/dbraw/zinc/14/04/40/953140440.db2.gz OBZDSYMTHFGMQA-GFCCVEGCSA-N -1 3 383.416 0.182 20 0 GCADHM CCc1nc[nH]c1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571222939 953140441 /nfs/dbraw/zinc/14/04/41/953140441.db2.gz OBZDSYMTHFGMQA-GFCCVEGCSA-N -1 3 383.416 0.182 20 0 GCADHM COc1nn(C)cc1C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571222941 953140910 /nfs/dbraw/zinc/14/09/10/953140910.db2.gz OCSTVYGZNWDMLH-LLVKDONJSA-N -1 3 383.416 0.321 20 0 GCADHM COc1nn(C)cc1C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571222941 953140913 /nfs/dbraw/zinc/14/09/13/953140913.db2.gz OCSTVYGZNWDMLH-LLVKDONJSA-N -1 3 383.416 0.321 20 0 GCADHM COc1ccnc(N[C@@H](C)[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571223086 953141244 /nfs/dbraw/zinc/14/12/44/953141244.db2.gz QCSHCSCLOJNRHO-WDEREUQCSA-N -1 3 383.416 0.956 20 0 GCADHM COc1ccnc(N[C@@H](C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571223086 953141245 /nfs/dbraw/zinc/14/12/45/953141245.db2.gz QCSHCSCLOJNRHO-WDEREUQCSA-N -1 3 383.416 0.956 20 0 GCADHM COc1nccc(CN2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571223038 953141572 /nfs/dbraw/zinc/14/15/72/953141572.db2.gz PNCSAWDMCBFSIQ-GFCCVEGCSA-N -1 3 383.416 0.388 20 0 GCADHM COc1nccc(CN2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571223038 953141574 /nfs/dbraw/zinc/14/15/74/953141574.db2.gz PNCSAWDMCBFSIQ-GFCCVEGCSA-N -1 3 383.416 0.388 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cnn(C)c1 ZINC001571223245 953142024 /nfs/dbraw/zinc/14/20/24/953142024.db2.gz RLRNJDPDFRFQKR-CYBMUJFWSA-N -1 3 383.416 0.305 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cnn(C)c1 ZINC001571223245 953142026 /nfs/dbraw/zinc/14/20/26/953142026.db2.gz RLRNJDPDFRFQKR-CYBMUJFWSA-N -1 3 383.416 0.305 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(Cc3cccc(-c4nnn[n-]4)c3)CCO2)no1 ZINC001571223199 953142475 /nfs/dbraw/zinc/14/24/75/953142475.db2.gz PMJLWIOHVCIFGL-HNNXBMFYSA-N -1 3 383.412 0.794 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2CN(Cc3cccc(-c4nn[n-]n4)c3)CCO2)no1 ZINC001571223199 953142478 /nfs/dbraw/zinc/14/24/78/953142478.db2.gz PMJLWIOHVCIFGL-HNNXBMFYSA-N -1 3 383.412 0.794 20 0 GCADHM CCc1noc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571223269 953142890 /nfs/dbraw/zinc/14/28/90/953142890.db2.gz SANKRQYNYSAPCL-PHIMTYICSA-N -1 3 383.416 0.629 20 0 GCADHM CCc1noc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571223269 953142892 /nfs/dbraw/zinc/14/28/92/953142892.db2.gz SANKRQYNYSAPCL-PHIMTYICSA-N -1 3 383.416 0.629 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001571223284 953143312 /nfs/dbraw/zinc/14/33/12/953143312.db2.gz SGBQCFDBDXVDQL-CYBMUJFWSA-N -1 3 383.416 0.507 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001571223284 953143315 /nfs/dbraw/zinc/14/33/15/953143315.db2.gz SGBQCFDBDXVDQL-CYBMUJFWSA-N -1 3 383.416 0.507 20 0 GCADHM CCn1cnc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001571223256 953143432 /nfs/dbraw/zinc/14/34/32/953143432.db2.gz RVNCAWKIUNMFHI-CYBMUJFWSA-N -1 3 383.416 0.113 20 0 GCADHM CCn1cnc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001571223256 953143437 /nfs/dbraw/zinc/14/34/37/953143437.db2.gz RVNCAWKIUNMFHI-CYBMUJFWSA-N -1 3 383.416 0.113 20 0 GCADHM COc1cc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)nn1C ZINC001571223542 953145120 /nfs/dbraw/zinc/14/51/20/953145120.db2.gz UVWCSVNMROPWHZ-LLVKDONJSA-N -1 3 383.416 0.721 20 0 GCADHM COc1cc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)nn1C ZINC001571223542 953145125 /nfs/dbraw/zinc/14/51/25/953145125.db2.gz UVWCSVNMROPWHZ-LLVKDONJSA-N -1 3 383.416 0.721 20 0 GCADHM COCc1cc(N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ncn1 ZINC001571223561 953145273 /nfs/dbraw/zinc/14/52/73/953145273.db2.gz VJZBFXUBRPFVAV-KLPPZKSPSA-N -1 3 383.416 0.752 20 0 GCADHM COCc1cc(N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ncn1 ZINC001571223561 953145276 /nfs/dbraw/zinc/14/52/76/953145276.db2.gz VJZBFXUBRPFVAV-KLPPZKSPSA-N -1 3 383.416 0.752 20 0 GCADHM COc1cc(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)nn1C ZINC001571223541 953145402 /nfs/dbraw/zinc/14/54/02/953145402.db2.gz USAOSHMRAIIUTE-UHFFFAOYSA-N -1 3 383.416 0.721 20 0 GCADHM COc1cc(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)nn1C ZINC001571223541 953145403 /nfs/dbraw/zinc/14/54/03/953145403.db2.gz USAOSHMRAIIUTE-UHFFFAOYSA-N -1 3 383.416 0.721 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223772 953146873 /nfs/dbraw/zinc/14/68/73/953146873.db2.gz VFNGAMKGGKFCAD-VIFPVBQESA-N -1 3 383.416 0.878 20 0 GCADHM C[C@@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223772 953146877 /nfs/dbraw/zinc/14/68/77/953146877.db2.gz VFNGAMKGGKFCAD-VIFPVBQESA-N -1 3 383.416 0.878 20 0 GCADHM CCn1cnc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571223798 953146903 /nfs/dbraw/zinc/14/69/03/953146903.db2.gz XSGWSKNENTYJRO-CMPLNLGQSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1cnc(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571223798 953146906 /nfs/dbraw/zinc/14/69/06/953146906.db2.gz XSGWSKNENTYJRO-CMPLNLGQSA-N -1 3 383.416 0.444 20 0 GCADHM Cc1ccc(CC(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001571223766 953146929 /nfs/dbraw/zinc/14/69/29/953146929.db2.gz UQOMLIZJTRUIJK-LLVKDONJSA-N -1 3 383.412 0.916 20 0 GCADHM Cc1ccc(CC(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001571223766 953146932 /nfs/dbraw/zinc/14/69/32/953146932.db2.gz UQOMLIZJTRUIJK-LLVKDONJSA-N -1 3 383.412 0.916 20 0 GCADHM CCn1nccc1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571223848 953147736 /nfs/dbraw/zinc/14/77/36/953147736.db2.gz YIKXHAJHYKCFTO-GFCCVEGCSA-N -1 3 383.416 0.398 20 0 GCADHM CCn1nccc1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571223848 953147738 /nfs/dbraw/zinc/14/77/38/953147738.db2.gz YIKXHAJHYKCFTO-GFCCVEGCSA-N -1 3 383.416 0.398 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571223896 953147760 /nfs/dbraw/zinc/14/77/60/953147760.db2.gz ZMSPTYUDOKFHAR-GHMZBOCLSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571223896 953147763 /nfs/dbraw/zinc/14/77/63/953147763.db2.gz ZMSPTYUDOKFHAR-GHMZBOCLSA-N -1 3 383.416 0.555 20 0 GCADHM CCc1c[nH]c(CC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571224000 953148481 /nfs/dbraw/zinc/14/84/81/953148481.db2.gz WXNMOUQDLMFVFI-GFCCVEGCSA-N -1 3 383.416 0.054 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001571224062 953148524 /nfs/dbraw/zinc/14/85/24/953148524.db2.gz XPGWVCMCMJJKHD-ZWNOBZJWSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cnn(C)c1 ZINC001571224062 953148527 /nfs/dbraw/zinc/14/85/27/953148527.db2.gz XPGWVCMCMJJKHD-ZWNOBZJWSA-N -1 3 383.416 0.351 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)c3cn(C)c(=O)[nH]3)C2)n1 ZINC001571224739 953150806 /nfs/dbraw/zinc/15/08/06/953150806.db2.gz FKFAYHNYOSJFMN-LLVKDONJSA-N -1 3 383.416 0.408 20 0 GCADHM Cc1cnn(CC(=O)NC2CC(N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571224687 953150845 /nfs/dbraw/zinc/15/08/45/953150845.db2.gz CVKWGQHPSCZJAM-UHFFFAOYSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1cnn(CC(=O)NC2CC(N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571224687 953150847 /nfs/dbraw/zinc/15/08/47/953150847.db2.gz CVKWGQHPSCZJAM-UHFFFAOYSA-N -1 3 383.416 0.119 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)o1 ZINC001571225341 953152527 /nfs/dbraw/zinc/15/25/27/953152527.db2.gz JVQPDIPRGFSSTB-NOZJJQNGSA-N -1 3 383.416 0.763 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)o1 ZINC001571225341 953152529 /nfs/dbraw/zinc/15/25/29/953152529.db2.gz JVQPDIPRGFSSTB-NOZJJQNGSA-N -1 3 383.416 0.763 20 0 GCADHM Cc1noc(CN2CCC3(CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)CC2)n1 ZINC001571225357 953152856 /nfs/dbraw/zinc/15/28/56/953152856.db2.gz JWILVNMARHDCGT-UHFFFAOYSA-N -1 3 383.416 0.624 20 0 GCADHM Cc1noc(CN2CCC3(CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)CC2)n1 ZINC001571225357 953152858 /nfs/dbraw/zinc/15/28/58/953152858.db2.gz JWILVNMARHDCGT-UHFFFAOYSA-N -1 3 383.416 0.624 20 0 GCADHM Cc1nonc1CC(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001571225327 953152912 /nfs/dbraw/zinc/15/29/12/953152912.db2.gz JNZPBEHFKSYXRS-YMTOWFKASA-N -1 3 383.416 0.445 20 0 GCADHM Cc1nonc1CC(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001571225327 953152913 /nfs/dbraw/zinc/15/29/13/953152913.db2.gz JNZPBEHFKSYXRS-YMTOWFKASA-N -1 3 383.416 0.445 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n(C)n1 ZINC001571225610 953153680 /nfs/dbraw/zinc/15/36/80/953153680.db2.gz LKSCZJAEARRPTJ-GFCCVEGCSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n(C)n1 ZINC001571225610 953153682 /nfs/dbraw/zinc/15/36/82/953153682.db2.gz LKSCZJAEARRPTJ-GFCCVEGCSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1nccc(N[C@H](C)[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)n1 ZINC001571225625 953153732 /nfs/dbraw/zinc/15/37/32/953153732.db2.gz LTOJKPBQUUYZAW-QMTHXVAHSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nccc(N[C@H](C)[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)n1 ZINC001571225625 953153734 /nfs/dbraw/zinc/15/37/34/953153734.db2.gz LTOJKPBQUUYZAW-QMTHXVAHSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1noc(CCC(=O)N2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571226383 953155120 /nfs/dbraw/zinc/15/51/20/953155120.db2.gz PPEAKKHOERSSNE-GFCCVEGCSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1noc(CCC(=O)N2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571226383 953155126 /nfs/dbraw/zinc/15/51/26/953155126.db2.gz PPEAKKHOERSSNE-GFCCVEGCSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1c[nH]c(C(=O)N[C@H]2CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571226408 953155448 /nfs/dbraw/zinc/15/54/48/953155448.db2.gz QASOAIJCCSFHPF-PWSUYJOCSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1ncc(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1C ZINC001571226487 953156112 /nfs/dbraw/zinc/15/61/12/953156112.db2.gz SCHCRSCGDTXYLE-SECBINFHSA-N -1 3 383.416 0.127 20 0 GCADHM Cc1ncc(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1C ZINC001571226487 953156113 /nfs/dbraw/zinc/15/61/13/953156113.db2.gz SCHCRSCGDTXYLE-SECBINFHSA-N -1 3 383.416 0.127 20 0 GCADHM Cc1ncc(C(=O)NCC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)[nH]1 ZINC001571226484 953156139 /nfs/dbraw/zinc/15/61/39/953156139.db2.gz SBBQHPMNUKHNGR-UHFFFAOYSA-N -1 3 383.416 0.509 20 0 GCADHM Cc1ncc(C(=O)NCC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)[nH]1 ZINC001571226484 953156142 /nfs/dbraw/zinc/15/61/42/953156142.db2.gz SBBQHPMNUKHNGR-UHFFFAOYSA-N -1 3 383.416 0.509 20 0 GCADHM Cc1cn(C)nc1C(=O)NC1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571226611 953156318 /nfs/dbraw/zinc/15/63/18/953156318.db2.gz SQPKOIMXEVXZNS-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cn(C)nc1C(=O)NC1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571226611 953156319 /nfs/dbraw/zinc/15/63/19/953156319.db2.gz SQPKOIMXEVXZNS-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571227686 953158182 /nfs/dbraw/zinc/15/81/82/953158182.db2.gz AALIRAPLYQJOMQ-MNOVXSKESA-N -1 3 383.416 0.399 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571227686 953158186 /nfs/dbraw/zinc/15/81/86/953158186.db2.gz AALIRAPLYQJOMQ-MNOVXSKESA-N -1 3 383.416 0.399 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)c[nH]1 ZINC001571226991 953158342 /nfs/dbraw/zinc/15/83/42/953158342.db2.gz YJERIPJGHVRJBJ-SKDRFNHKSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571227151 953158400 /nfs/dbraw/zinc/15/84/00/953158400.db2.gz ZUEASYWNYUOJJZ-SKDRFNHKSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571227151 953158401 /nfs/dbraw/zinc/15/84/01/953158401.db2.gz ZUEASYWNYUOJJZ-SKDRFNHKSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1noc(CN2CCCC3(CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)C2)n1 ZINC001571227124 953158523 /nfs/dbraw/zinc/15/85/23/953158523.db2.gz ZGUJDGNKPJWTAJ-UHFFFAOYSA-N -1 3 383.416 0.624 20 0 GCADHM Cc1noc(CN2CCCC3(CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)n1 ZINC001571227124 953158526 /nfs/dbraw/zinc/15/85/26/953158526.db2.gz ZGUJDGNKPJWTAJ-UHFFFAOYSA-N -1 3 383.416 0.624 20 0 GCADHM Cn1cnc(C(=O)N2CCC(O)(CNc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC001571227819 953160182 /nfs/dbraw/zinc/16/01/82/953160182.db2.gz CNUAGJPTLKDXIZ-UHFFFAOYSA-N -1 3 383.416 0.074 20 0 GCADHM Cn1cnc(C(=O)N2CCC(O)(CNc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC001571227819 953160184 /nfs/dbraw/zinc/16/01/84/953160184.db2.gz CNUAGJPTLKDXIZ-UHFFFAOYSA-N -1 3 383.416 0.074 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228000 953160924 /nfs/dbraw/zinc/16/09/24/953160924.db2.gz GESVEIIOYMPNAI-GHMZBOCLSA-N -1 3 383.416 0.318 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571227852 953161085 /nfs/dbraw/zinc/16/10/85/953161085.db2.gz DEKJFULFAJQPFU-PWSUYJOCSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571227852 953161088 /nfs/dbraw/zinc/16/10/88/953161088.db2.gz DEKJFULFAJQPFU-PWSUYJOCSA-N -1 3 383.416 0.257 20 0 GCADHM O=C(CCc1cn[nH]c1)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571228048 953161491 /nfs/dbraw/zinc/16/14/91/953161491.db2.gz GWBZVAMHYMLKIC-ZDUSSCGKSA-N -1 3 383.416 0.272 20 0 GCADHM O=C(CCc1cn[nH]c1)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571228048 953161494 /nfs/dbraw/zinc/16/14/94/953161494.db2.gz GWBZVAMHYMLKIC-ZDUSSCGKSA-N -1 3 383.416 0.272 20 0 GCADHM Cn1cc(NC(=O)NC(C)(C)Cc2ccc(-c3nnn[n-]3)cc2)c(C(N)=O)n1 ZINC001571228068 953161767 /nfs/dbraw/zinc/16/17/67/953161767.db2.gz HGZPTKGKSYXLOW-UHFFFAOYSA-N -1 3 383.416 0.842 20 0 GCADHM Cn1cc(NC(=O)NC(C)(C)Cc2ccc(-c3nn[n-]n3)cc2)c(C(N)=O)n1 ZINC001571228068 953161769 /nfs/dbraw/zinc/16/17/69/953161769.db2.gz HGZPTKGKSYXLOW-UHFFFAOYSA-N -1 3 383.416 0.842 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571228131 953162528 /nfs/dbraw/zinc/16/25/28/953162528.db2.gz IXYBWWRKLNDDSL-GXSJLCMTSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571228131 953162530 /nfs/dbraw/zinc/16/25/30/953162530.db2.gz IXYBWWRKLNDDSL-GXSJLCMTSA-N -1 3 383.420 0.082 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2noc(C3CCC3)n2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571228152 953162663 /nfs/dbraw/zinc/16/26/63/953162663.db2.gz JLOBNAYEMWLJLG-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2noc(C3CCC3)n2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571228152 953162667 /nfs/dbraw/zinc/16/26/67/953162667.db2.gz JLOBNAYEMWLJLG-GFCCVEGCSA-N -1 3 383.416 0.850 20 0 GCADHM Cc1nonc1CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571228355 953163850 /nfs/dbraw/zinc/16/38/50/953163850.db2.gz NMSURDJIEVWDCV-GFCCVEGCSA-N -1 3 383.416 0.671 20 0 GCADHM Cc1nonc1CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571228355 953163851 /nfs/dbraw/zinc/16/38/51/953163851.db2.gz NMSURDJIEVWDCV-GFCCVEGCSA-N -1 3 383.416 0.671 20 0 GCADHM Cc1nonc1CC(=O)N(C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571228530 953164609 /nfs/dbraw/zinc/16/46/09/953164609.db2.gz QRGRFBOITAMMOJ-UHFFFAOYSA-N -1 3 383.416 0.623 20 0 GCADHM Cc1nonc1CC(=O)N(C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571228530 953164611 /nfs/dbraw/zinc/16/46/11/953164611.db2.gz QRGRFBOITAMMOJ-UHFFFAOYSA-N -1 3 383.416 0.623 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571228531 953165129 /nfs/dbraw/zinc/16/51/29/953165129.db2.gz QTJDGUSKJYTKPW-VXGBXAGGSA-N -1 3 383.416 0.399 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571228531 953165134 /nfs/dbraw/zinc/16/51/34/953165134.db2.gz QTJDGUSKJYTKPW-VXGBXAGGSA-N -1 3 383.416 0.399 20 0 GCADHM Cn1cncc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1(C)C ZINC001571228590 953165285 /nfs/dbraw/zinc/16/52/85/953165285.db2.gz SUOWWMJSAVWAHH-CYBMUJFWSA-N -1 3 383.416 0.209 20 0 GCADHM Cn1cncc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001571228590 953165289 /nfs/dbraw/zinc/16/52/89/953165289.db2.gz SUOWWMJSAVWAHH-CYBMUJFWSA-N -1 3 383.416 0.209 20 0 GCADHM O=C(NC[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571228581 953165407 /nfs/dbraw/zinc/16/54/07/953165407.db2.gz SKZRNSBAPNBHJQ-JTQLQIEISA-N -1 3 383.416 0.707 20 0 GCADHM O=C(NC[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571228581 953165408 /nfs/dbraw/zinc/16/54/08/953165408.db2.gz SKZRNSBAPNBHJQ-JTQLQIEISA-N -1 3 383.416 0.707 20 0 GCADHM C[C@H](Nc1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001571228620 953165847 /nfs/dbraw/zinc/16/58/47/953165847.db2.gz UFUZUKDSLBODOZ-WDEREUQCSA-N -1 3 383.420 0.057 20 0 GCADHM Cn1cncc1C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228634 953166035 /nfs/dbraw/zinc/16/60/35/953166035.db2.gz UKJBABVIWBSZRT-GHMZBOCLSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cncc1C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228634 953166036 /nfs/dbraw/zinc/16/60/36/953166036.db2.gz UKJBABVIWBSZRT-GHMZBOCLSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cncc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228637 953166102 /nfs/dbraw/zinc/16/61/02/953166102.db2.gz UKJBABVIWBSZRT-WDEREUQCSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cncc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228637 953166103 /nfs/dbraw/zinc/16/61/03/953166103.db2.gz UKJBABVIWBSZRT-WDEREUQCSA-N -1 3 383.416 0.257 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571229181 953168592 /nfs/dbraw/zinc/16/85/92/953168592.db2.gz AJPOLQWNCXXVLY-ONGXEEELSA-N -1 3 383.420 0.294 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001571229260 953168631 /nfs/dbraw/zinc/16/86/31/953168631.db2.gz BJMFDVIPPPYTFO-LLVKDONJSA-N -1 3 383.420 0.438 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571229544 953170680 /nfs/dbraw/zinc/17/06/80/953170680.db2.gz IFKOIEVFQPXITC-KOLCDFICSA-N -1 3 383.420 0.497 20 0 GCADHM O=C(Cn1ncnn1)N1CCCC[C@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001571229716 953171353 /nfs/dbraw/zinc/17/13/53/953171353.db2.gz KUANVGNINOAFSV-ZDUSSCGKSA-N -1 3 383.420 0.132 20 0 GCADHM O=C(Cn1ncnn1)N1CCCC[C@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001571229716 953171355 /nfs/dbraw/zinc/17/13/55/953171355.db2.gz KUANVGNINOAFSV-ZDUSSCGKSA-N -1 3 383.420 0.132 20 0 GCADHM Cc1c(NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nnn1C ZINC001571229683 953171390 /nfs/dbraw/zinc/17/13/90/953171390.db2.gz JNGZPLDAOVRVTP-UHFFFAOYSA-N -1 3 383.420 0.489 20 0 GCADHM Cc1c(NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nnn1C ZINC001571229683 953171391 /nfs/dbraw/zinc/17/13/91/953171391.db2.gz JNGZPLDAOVRVTP-UHFFFAOYSA-N -1 3 383.420 0.489 20 0 GCADHM O=C(Cn1ncnn1)N1CCCC[C@@H]1CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001571229715 953171394 /nfs/dbraw/zinc/17/13/94/953171394.db2.gz KUANVGNINOAFSV-CYBMUJFWSA-N -1 3 383.420 0.132 20 0 GCADHM O=C(Cn1ncnn1)N1CCCC[C@@H]1CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001571229715 953171396 /nfs/dbraw/zinc/17/13/96/953171396.db2.gz KUANVGNINOAFSV-CYBMUJFWSA-N -1 3 383.420 0.132 20 0 GCADHM O=C(Cn1ncnn1)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571229724 953171433 /nfs/dbraw/zinc/17/14/33/953171433.db2.gz LDCCRGVCUHLBMB-CYBMUJFWSA-N -1 3 383.420 0.132 20 0 GCADHM O=C(Cn1ncnn1)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571229724 953171435 /nfs/dbraw/zinc/17/14/35/953171435.db2.gz LDCCRGVCUHLBMB-CYBMUJFWSA-N -1 3 383.420 0.132 20 0 GCADHM Nc1n[nH]c(CNC(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC001571229819 953172185 /nfs/dbraw/zinc/17/21/85/953172185.db2.gz OPQQJDFTJJBDTM-UHFFFAOYSA-N -1 3 383.420 0.035 20 0 GCADHM Nc1n[nH]c(CNC(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC001571229819 953172187 /nfs/dbraw/zinc/17/21/87/953172187.db2.gz OPQQJDFTJJBDTM-UHFFFAOYSA-N -1 3 383.420 0.035 20 0 GCADHM Cc1nnsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1 ZINC001571230208 953174588 /nfs/dbraw/zinc/17/45/88/953174588.db2.gz AJXMYVBHZHJWKH-UTUOFQBUSA-N -1 3 383.441 0.961 20 0 GCADHM Cc1nnsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1 ZINC001571230208 953174589 /nfs/dbraw/zinc/17/45/89/953174589.db2.gz AJXMYVBHZHJWKH-UTUOFQBUSA-N -1 3 383.441 0.961 20 0 GCADHM O=C(c1cnns1)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571230232 953175447 /nfs/dbraw/zinc/17/54/47/953175447.db2.gz AVCRIYQHPILNFQ-MNOVXSKESA-N -1 3 383.441 0.712 20 0 GCADHM O=C(c1cnns1)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571230232 953175449 /nfs/dbraw/zinc/17/54/49/953175449.db2.gz AVCRIYQHPILNFQ-MNOVXSKESA-N -1 3 383.441 0.712 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N2C[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]3C2)CCO1 ZINC001571231090 953183295 /nfs/dbraw/zinc/18/32/95/953183295.db2.gz RYJBPMSYYMQALS-ZQDZILKHSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@H]1C[C@@H](C(=O)N2C[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]3C2)CCO1 ZINC001571231090 953183298 /nfs/dbraw/zinc/18/32/98/953183298.db2.gz RYJBPMSYYMQALS-ZQDZILKHSA-N -1 3 383.456 0.971 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001571231212 953184268 /nfs/dbraw/zinc/18/42/68/953184268.db2.gz VKPSIKNXZLOJPK-INIZCTEOSA-N -1 3 383.456 0.522 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571231212 953184270 /nfs/dbraw/zinc/18/42/70/953184270.db2.gz VKPSIKNXZLOJPK-INIZCTEOSA-N -1 3 383.456 0.522 20 0 GCADHM O=C(c1cnsn1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571231465 953184713 /nfs/dbraw/zinc/18/47/13/953184713.db2.gz XLIAKHJKSFQCGB-INIZCTEOSA-N -1 3 383.441 0.856 20 0 GCADHM O=C(c1cnsn1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571231465 953184714 /nfs/dbraw/zinc/18/47/14/953184714.db2.gz XLIAKHJKSFQCGB-INIZCTEOSA-N -1 3 383.441 0.856 20 0 GCADHM O=C(c1cnsn1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571231466 953184963 /nfs/dbraw/zinc/18/49/63/953184963.db2.gz XLIAKHJKSFQCGB-MRXNPFEDSA-N -1 3 383.441 0.856 20 0 GCADHM O=C(c1cnsn1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571231466 953184964 /nfs/dbraw/zinc/18/49/64/953184964.db2.gz XLIAKHJKSFQCGB-MRXNPFEDSA-N -1 3 383.441 0.856 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001571232687 953188568 /nfs/dbraw/zinc/18/85/68/953188568.db2.gz JCOIDAQBDMGHDA-STGWMILLSA-N -1 3 383.456 0.754 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001571232687 953188569 /nfs/dbraw/zinc/18/85/69/953188569.db2.gz JCOIDAQBDMGHDA-STGWMILLSA-N -1 3 383.456 0.754 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCN(Cc2nccn2C)C1 ZINC001571232731 953189374 /nfs/dbraw/zinc/18/93/74/953189374.db2.gz KBAWNLXVMHLQGZ-OLZOCXBDSA-N -1 3 383.460 0.959 20 0 GCADHM CN(Cc1nccn1C)C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571233701 953195538 /nfs/dbraw/zinc/19/55/38/953195538.db2.gz BECSYRNSAPYQMQ-CYBMUJFWSA-N -1 3 383.460 0.913 20 0 GCADHM CN1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nn1 ZINC001571233884 953196903 /nfs/dbraw/zinc/19/69/03/953196903.db2.gz HACHLXQGGMBTKL-GUTXKFCHSA-N -1 3 383.460 0.321 20 0 GCADHM CN1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571234316 953200643 /nfs/dbraw/zinc/20/06/43/953200643.db2.gz UFZYBYZWSCSFJR-CHWSQXEVSA-N -1 3 383.460 0.226 20 0 GCADHM C[S@@](=O)CCN1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571234651 953204656 /nfs/dbraw/zinc/20/46/56/953204656.db2.gz FGXGFYDHABDXIA-RUZDIDTESA-N -1 3 383.865 0.051 20 0 GCADHM C[S@@](=O)CCN1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571234651 953204658 /nfs/dbraw/zinc/20/46/58/953204658.db2.gz FGXGFYDHABDXIA-RUZDIDTESA-N -1 3 383.865 0.051 20 0 GCADHM CCc1ncoc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571235443 953212090 /nfs/dbraw/zinc/21/20/90/953212090.db2.gz FDJPICSEIMDGIH-ZJUUUORDSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ncoc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571235443 953212091 /nfs/dbraw/zinc/21/20/91/953212091.db2.gz FDJPICSEIMDGIH-ZJUUUORDSA-N -1 3 384.400 0.778 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncc(F)c1 ZINC001571235590 953213732 /nfs/dbraw/zinc/21/37/32/953213732.db2.gz JXRDTCFPSIROBF-GMZHKTEUSA-N -1 3 384.375 0.667 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncc(F)c1 ZINC001571235590 953213734 /nfs/dbraw/zinc/21/37/34/953213734.db2.gz JXRDTCFPSIROBF-GMZHKTEUSA-N -1 3 384.375 0.667 20 0 GCADHM O=C(c1cnon1)N1C[C@H]2CCN(Cc3cc(F)ccc3-c3nn[n-]n3)C[C@H]21 ZINC001571235671 953214287 /nfs/dbraw/zinc/21/42/87/953214287.db2.gz MTFWBXHIPJLJHG-MEBBXXQBSA-N -1 3 384.375 0.735 20 0 GCADHM COCc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)no1 ZINC001571235711 953214992 /nfs/dbraw/zinc/21/49/92/953214992.db2.gz OKLPUGOSNKXMCM-LLVKDONJSA-N -1 3 384.400 0.713 20 0 GCADHM COCc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)no1 ZINC001571235711 953214995 /nfs/dbraw/zinc/21/49/95/953214995.db2.gz OKLPUGOSNKXMCM-LLVKDONJSA-N -1 3 384.400 0.713 20 0 GCADHM CCc1ncoc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235717 953215090 /nfs/dbraw/zinc/21/50/90/953215090.db2.gz OLBFEQLXCDKBNW-ZJUUUORDSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ncoc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235717 953215096 /nfs/dbraw/zinc/21/50/96/953215096.db2.gz OLBFEQLXCDKBNW-ZJUUUORDSA-N -1 3 384.400 0.778 20 0 GCADHM Cn1cccc(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)c1=O ZINC001571235720 953215186 /nfs/dbraw/zinc/21/51/86/953215186.db2.gz OOMAXOUYDJHNBD-LLVKDONJSA-N -1 3 384.375 0.108 20 0 GCADHM Cn1cccc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)c1=O ZINC001571235720 953215187 /nfs/dbraw/zinc/21/51/87/953215187.db2.gz OOMAXOUYDJHNBD-LLVKDONJSA-N -1 3 384.375 0.108 20 0 GCADHM CCc1noc(C)c1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236132 953215686 /nfs/dbraw/zinc/21/56/86/953215686.db2.gz RPFHYAGTBXPEDV-LLVKDONJSA-N -1 3 384.400 0.698 20 0 GCADHM CCc1noc(C)c1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236132 953215689 /nfs/dbraw/zinc/21/56/89/953215689.db2.gz RPFHYAGTBXPEDV-LLVKDONJSA-N -1 3 384.400 0.698 20 0 GCADHM COCc1nocc1C(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001571235921 953215696 /nfs/dbraw/zinc/21/56/96/953215696.db2.gz RMDCIZFFNRUQGR-GWCFXTLKSA-N -1 3 384.400 0.969 20 0 GCADHM COCc1nocc1C(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001571235921 953215700 /nfs/dbraw/zinc/21/57/00/953215700.db2.gz RMDCIZFFNRUQGR-GWCFXTLKSA-N -1 3 384.400 0.969 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235853 953216066 /nfs/dbraw/zinc/21/60/66/953216066.db2.gz QCVQGGHTWRSKKG-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235853 953216070 /nfs/dbraw/zinc/21/60/70/953216070.db2.gz QCVQGGHTWRSKKG-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H]2C)no1 ZINC001571235928 953216218 /nfs/dbraw/zinc/21/62/18/953216218.db2.gz RPALHKBQTXKPMK-GXSJLCMTSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H]2C)no1 ZINC001571235928 953216219 /nfs/dbraw/zinc/21/62/19/953216219.db2.gz RPALHKBQTXKPMK-GXSJLCMTSA-N -1 3 384.400 0.778 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC001571235892 953216222 /nfs/dbraw/zinc/21/62/22/953216222.db2.gz QUVWCCRFCXLTEG-GHMZBOCLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC001571235892 953216224 /nfs/dbraw/zinc/21/62/24/953216224.db2.gz QUVWCCRFCXLTEG-GHMZBOCLSA-N -1 3 384.400 0.854 20 0 GCADHM CCc1nocc1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571236146 953216486 /nfs/dbraw/zinc/21/64/86/953216486.db2.gz SCOBBAWFHWAIHK-UHFFFAOYSA-N -1 3 384.400 0.734 20 0 GCADHM CCc1nocc1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571236146 953216488 /nfs/dbraw/zinc/21/64/88/953216488.db2.gz SCOBBAWFHWAIHK-UHFFFAOYSA-N -1 3 384.400 0.734 20 0 GCADHM CCc1nc(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)co1 ZINC001571236373 953217094 /nfs/dbraw/zinc/21/70/94/953217094.db2.gz XWZCJECPMAJVGI-NSHDSACASA-N -1 3 384.400 0.780 20 0 GCADHM CCc1nc(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)co1 ZINC001571236373 953217097 /nfs/dbraw/zinc/21/70/97/953217097.db2.gz XWZCJECPMAJVGI-NSHDSACASA-N -1 3 384.400 0.780 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)c1cc(F)c[nH]1)C2 ZINC001571236348 953217400 /nfs/dbraw/zinc/21/74/00/953217400.db2.gz WZNOTVAXCFDUHG-TXEJJXNPSA-N -1 3 384.375 0.791 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)c1cc(F)c[nH]1)C2 ZINC001571236348 953217404 /nfs/dbraw/zinc/21/74/04/953217404.db2.gz WZNOTVAXCFDUHG-TXEJJXNPSA-N -1 3 384.375 0.791 20 0 GCADHM COCc1cc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571236403 953217709 /nfs/dbraw/zinc/21/77/09/953217709.db2.gz YWVWCBYWCDSFGA-GFCCVEGCSA-N -1 3 384.400 0.747 20 0 GCADHM COCc1cc(C(=O)N2CC[C@@H](N(C)c3ccc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571236403 953217711 /nfs/dbraw/zinc/21/77/11/953217711.db2.gz YWVWCBYWCDSFGA-GFCCVEGCSA-N -1 3 384.400 0.747 20 0 GCADHM Cc1ncoc1C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571236904 953218743 /nfs/dbraw/zinc/21/87/43/953218743.db2.gz CUTJVBNHYJGEQL-QGZVFWFLSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1ncoc1C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571236904 953218747 /nfs/dbraw/zinc/21/87/47/953218747.db2.gz CUTJVBNHYJGEQL-QGZVFWFLSA-N -1 3 384.400 0.637 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571237001 953219564 /nfs/dbraw/zinc/21/95/64/953219564.db2.gz FCDCJVXLKIVYAI-NOZJJQNGSA-N -1 3 384.404 0.126 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)o1 ZINC001571237168 953220433 /nfs/dbraw/zinc/22/04/33/953220433.db2.gz GCEFMGPVBVYQSR-BXKDBHETSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)o1 ZINC001571237168 953220438 /nfs/dbraw/zinc/22/04/38/953220438.db2.gz GCEFMGPVBVYQSR-BXKDBHETSA-N -1 3 384.400 0.833 20 0 GCADHM COc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1-c1nnn[n-]1 ZINC001571237464 953221652 /nfs/dbraw/zinc/22/16/52/953221652.db2.gz IEUITAHHWKLGQM-LLVKDONJSA-N -1 3 384.400 0.730 20 0 GCADHM COc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1-c1nn[n-]n1 ZINC001571237464 953221657 /nfs/dbraw/zinc/22/16/57/953221657.db2.gz IEUITAHHWKLGQM-LLVKDONJSA-N -1 3 384.400 0.730 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571237668 953221933 /nfs/dbraw/zinc/22/19/33/953221933.db2.gz LBXPSISDDPAKAC-VXGBXAGGSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1nc(C(=O)N[C@@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571237668 953221935 /nfs/dbraw/zinc/22/19/35/953221935.db2.gz LBXPSISDDPAKAC-VXGBXAGGSA-N -1 3 384.400 0.962 20 0 GCADHM COc1cc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)on1 ZINC001571237511 953222211 /nfs/dbraw/zinc/22/22/11/953222211.db2.gz JHZKPHXTFHKFSE-QGZVFWFLSA-N -1 3 384.400 0.966 20 0 GCADHM COc1cc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)on1 ZINC001571237511 953222213 /nfs/dbraw/zinc/22/22/13/953222213.db2.gz JHZKPHXTFHKFSE-QGZVFWFLSA-N -1 3 384.400 0.966 20 0 GCADHM Cc1nc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)c(C)o1 ZINC001571237711 953222791 /nfs/dbraw/zinc/22/27/91/953222791.db2.gz MJUYJRRYCVBSMA-PELKAZGASA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)c(C)o1 ZINC001571237711 953222794 /nfs/dbraw/zinc/22/27/94/953222794.db2.gz MJUYJRRYCVBSMA-PELKAZGASA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c(C)o1 ZINC001571237726 953223296 /nfs/dbraw/zinc/22/32/96/953223296.db2.gz MWUMWYHFRFQRBL-UHFFFAOYSA-N -1 3 384.400 0.834 20 0 GCADHM Cc1nc(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c(C)o1 ZINC001571237726 953223300 /nfs/dbraw/zinc/22/33/00/953223300.db2.gz MWUMWYHFRFQRBL-UHFFFAOYSA-N -1 3 384.400 0.834 20 0 GCADHM Cc1conc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001571237960 953224240 /nfs/dbraw/zinc/22/42/40/953224240.db2.gz OZDSEMNSQPBPMR-ZDUSSCGKSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1conc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001571237960 953224245 /nfs/dbraw/zinc/22/42/45/953224245.db2.gz OZDSEMNSQPBPMR-ZDUSSCGKSA-N -1 3 384.400 0.583 20 0 GCADHM Cc1cc(OCC(=O)N2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)no1 ZINC001571238001 953224821 /nfs/dbraw/zinc/22/48/21/953224821.db2.gz QGKFWWXCWAYZHQ-UHFFFAOYSA-N -1 3 384.400 0.676 20 0 GCADHM Cc1cc(OCC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)no1 ZINC001571238001 953224826 /nfs/dbraw/zinc/22/48/26/953224826.db2.gz QGKFWWXCWAYZHQ-UHFFFAOYSA-N -1 3 384.400 0.676 20 0 GCADHM COc1nc(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nnn[n-]4)nc3)C2)co1 ZINC001571238041 953224847 /nfs/dbraw/zinc/22/48/47/953224847.db2.gz RUEJOTXKWWIXNX-GFCCVEGCSA-N -1 3 384.400 0.999 20 0 GCADHM COc1nc(C(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nc3)C2)co1 ZINC001571238041 953224855 /nfs/dbraw/zinc/22/48/55/953224855.db2.gz RUEJOTXKWWIXNX-GFCCVEGCSA-N -1 3 384.400 0.999 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@]2(CO)CCCN(C(=O)c3ccon3)C2)n1 ZINC001571238128 953225514 /nfs/dbraw/zinc/22/55/14/953225514.db2.gz VAIMEWNZOQNABR-KRWDZBQOSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@]2(CO)CCCN(C(=O)c3ccon3)C2)n1 ZINC001571238128 953225516 /nfs/dbraw/zinc/22/55/16/953225516.db2.gz VAIMEWNZOQNABR-KRWDZBQOSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571238074 953225744 /nfs/dbraw/zinc/22/57/44/953225744.db2.gz SXUAUMBBFSRWJM-PWSUYJOCSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571238074 953225747 /nfs/dbraw/zinc/22/57/47/953225747.db2.gz SXUAUMBBFSRWJM-PWSUYJOCSA-N -1 3 384.400 0.820 20 0 GCADHM Cc1cc(C(=O)N2CCCO[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)on1 ZINC001571238227 953226493 /nfs/dbraw/zinc/22/64/93/953226493.db2.gz XGGRJTUFQCKMMC-CYBMUJFWSA-N -1 3 384.400 0.901 20 0 GCADHM Cc1cc(C(=O)N2CCCO[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)on1 ZINC001571238227 953226496 /nfs/dbraw/zinc/22/64/96/953226496.db2.gz XGGRJTUFQCKMMC-CYBMUJFWSA-N -1 3 384.400 0.901 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)no1 ZINC001571238324 953228021 /nfs/dbraw/zinc/22/80/21/953228021.db2.gz ZSCCEYUAPFNMEM-PWSUYJOCSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)no1 ZINC001571238324 953228025 /nfs/dbraw/zinc/22/80/25/953228025.db2.gz ZSCCEYUAPFNMEM-PWSUYJOCSA-N -1 3 384.400 0.914 20 0 GCADHM O=C(c1cnco1)N1CCC[C@@H](N(CCO)c2ncccc2-c2nnn[n-]2)C1 ZINC001571238312 953228092 /nfs/dbraw/zinc/22/80/92/953228092.db2.gz ZJBMOXMQPBTJRP-GFCCVEGCSA-N -1 3 384.400 0.353 20 0 GCADHM O=C(c1cnco1)N1CCC[C@@H](N(CCO)c2ncccc2-c2nn[n-]n2)C1 ZINC001571238312 953228094 /nfs/dbraw/zinc/22/80/94/953228094.db2.gz ZJBMOXMQPBTJRP-GFCCVEGCSA-N -1 3 384.400 0.353 20 0 GCADHM CC(C)n1nnc(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC001571238386 953228134 /nfs/dbraw/zinc/22/81/34/953228134.db2.gz BEVJZIBSZRNOJK-UHFFFAOYSA-N -1 3 384.408 0.183 20 0 GCADHM CC(C)n1nnc(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC001571238386 953228136 /nfs/dbraw/zinc/22/81/36/953228136.db2.gz BEVJZIBSZRNOJK-UHFFFAOYSA-N -1 3 384.408 0.183 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238617 953230973 /nfs/dbraw/zinc/23/09/73/953230973.db2.gz IMOOINZSRPKKDY-NSHDSACASA-N -1 3 384.404 0.046 20 0 GCADHM C[C@H](NC(=O)c1cnn(C)c1)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001571240095 953246623 /nfs/dbraw/zinc/24/66/23/953246623.db2.gz ZNCSDVLOYHWICF-NSHDSACASA-N -1 3 384.419 0.990 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)NC1CCN([C@H]2CCOC2=O)CC1 ZINC001571241538 953247159 /nfs/dbraw/zinc/24/71/59/953247159.db2.gz CKUALWYGBMIYQP-HNNXBMFYSA-N -1 3 384.440 0.993 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)NC1CCN([C@H]2CCOC2=O)CC1 ZINC001571241538 953247160 /nfs/dbraw/zinc/24/71/60/953247160.db2.gz CKUALWYGBMIYQP-HNNXBMFYSA-N -1 3 384.440 0.993 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 ZINC001571241539 953247533 /nfs/dbraw/zinc/24/75/33/953247533.db2.gz CKUALWYGBMIYQP-OAHLLOKOSA-N -1 3 384.440 0.993 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 ZINC001571241539 953247537 /nfs/dbraw/zinc/24/75/37/953247537.db2.gz CKUALWYGBMIYQP-OAHLLOKOSA-N -1 3 384.440 0.993 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@](C)(CNc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571241710 953249197 /nfs/dbraw/zinc/24/91/97/953249197.db2.gz JMOFACZRJUQIFW-GOSISDBHSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571241710 953249200 /nfs/dbraw/zinc/24/92/00/953249200.db2.gz JMOFACZRJUQIFW-GOSISDBHSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242168 953253583 /nfs/dbraw/zinc/25/35/83/953253583.db2.gz BZSBENJVFQWYGS-RDTXWAMCSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242168 953253587 /nfs/dbraw/zinc/25/35/87/953253587.db2.gz BZSBENJVFQWYGS-RDTXWAMCSA-N -1 3 384.444 0.533 20 0 GCADHM O=C(NCc1cncc(-c2nnn[n-]2)c1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC001571242225 953254808 /nfs/dbraw/zinc/25/48/08/953254808.db2.gz WZSYIYSSRSOMCA-UHFFFAOYSA-N -1 3 384.421 0.884 20 0 GCADHM O=C(NCc1cncc(-c2nn[n-]n2)c1)C1(S(=O)(=O)c2ccccc2)CC1 ZINC001571242225 953254810 /nfs/dbraw/zinc/25/48/10/953254810.db2.gz WZSYIYSSRSOMCA-UHFFFAOYSA-N -1 3 384.421 0.884 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CCNc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)N1 ZINC001571242312 953255252 /nfs/dbraw/zinc/25/52/52/953255252.db2.gz DCTUOONOKFIFEG-XIKOKIGWSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)N1 ZINC001571242312 953255254 /nfs/dbraw/zinc/25/52/54/953255254.db2.gz DCTUOONOKFIFEG-XIKOKIGWSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)C[C@H]1CCN(C)C1=O ZINC001571242346 953255280 /nfs/dbraw/zinc/25/52/80/953255280.db2.gz DKQRRXYQCOYIDC-LALPHHSUSA-N -1 3 384.444 0.071 20 0 GCADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)C[C@H]1CCN(C)C1=O ZINC001571242346 953255281 /nfs/dbraw/zinc/25/52/81/953255281.db2.gz DKQRRXYQCOYIDC-LALPHHSUSA-N -1 3 384.444 0.071 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCN1CCCC1=O ZINC001571242439 953256129 /nfs/dbraw/zinc/25/61/29/953256129.db2.gz GFFWXUMOIPAOBE-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCN1CCCC1=O ZINC001571242439 953256136 /nfs/dbraw/zinc/25/61/36/953256136.db2.gz GFFWXUMOIPAOBE-OCCSQVGLSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C[C@H](C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)CC2)CC1=O ZINC001571242421 953256324 /nfs/dbraw/zinc/25/63/24/953256324.db2.gz FXQCOTHQFUJRBY-JHJVBQTASA-N -1 3 384.444 0.579 20 0 GCADHM CN1C[C@H](C(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)CC2)CC1=O ZINC001571242421 953256326 /nfs/dbraw/zinc/25/63/26/953256326.db2.gz FXQCOTHQFUJRBY-JHJVBQTASA-N -1 3 384.444 0.579 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571242469 953257036 /nfs/dbraw/zinc/25/70/36/953257036.db2.gz HENHYQLYMDDQNV-MCIONIFRSA-N -1 3 384.444 0.579 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571242469 953257038 /nfs/dbraw/zinc/25/70/38/953257038.db2.gz HENHYQLYMDDQNV-MCIONIFRSA-N -1 3 384.444 0.579 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571242614 953258100 /nfs/dbraw/zinc/25/81/00/953258100.db2.gz KHEUHYSLLNRQHN-UONOGXRCSA-N -1 3 384.444 0.358 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571242614 953258104 /nfs/dbraw/zinc/25/81/04/953258104.db2.gz KHEUHYSLLNRQHN-UONOGXRCSA-N -1 3 384.444 0.358 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571242606 953258180 /nfs/dbraw/zinc/25/81/80/953258180.db2.gz KBXNPENUGHDANC-SGTLLEGYSA-N -1 3 384.444 0.579 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571242606 953258185 /nfs/dbraw/zinc/25/81/85/953258185.db2.gz KBXNPENUGHDANC-SGTLLEGYSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571242705 953259289 /nfs/dbraw/zinc/25/92/89/953259289.db2.gz MAJKHAWFGNZIDF-DYEKYZERSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)CC2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571242705 953259296 /nfs/dbraw/zinc/25/92/96/953259296.db2.gz MAJKHAWFGNZIDF-DYEKYZERSA-N -1 3 384.444 0.261 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571242766 953259354 /nfs/dbraw/zinc/25/93/54/953259354.db2.gz NMEXXTUVBNZBDI-BNOWGMLFSA-N -1 3 384.444 0.058 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571242766 953259357 /nfs/dbraw/zinc/25/93/57/953259357.db2.gz NMEXXTUVBNZBDI-BNOWGMLFSA-N -1 3 384.444 0.058 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)C2)CCN1c1ncccc1-c1nnn[n-]1 ZINC001571242948 953261625 /nfs/dbraw/zinc/26/16/25/953261625.db2.gz RSTIMXHHQFSBTJ-FPMFFAJLSA-N -1 3 384.444 0.261 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)C2)CCN1c1ncccc1-c1nn[n-]n1 ZINC001571242948 953261628 /nfs/dbraw/zinc/26/16/28/953261628.db2.gz RSTIMXHHQFSBTJ-FPMFFAJLSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001571242956 953261719 /nfs/dbraw/zinc/26/17/19/953261719.db2.gz RVPUNCYAVXMREL-SMDDNHRTSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1)[C@H]1CCC(=O)N1 ZINC001571242956 953261721 /nfs/dbraw/zinc/26/17/21/953261721.db2.gz RVPUNCYAVXMREL-SMDDNHRTSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571243013 953261922 /nfs/dbraw/zinc/26/19/22/953261922.db2.gz SZWHJDZRZOLMMC-NRWUCQMLSA-N -1 3 384.444 0.422 20 0 GCADHM C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571243013 953261924 /nfs/dbraw/zinc/26/19/24/953261924.db2.gz SZWHJDZRZOLMMC-NRWUCQMLSA-N -1 3 384.444 0.422 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC001571242968 953261984 /nfs/dbraw/zinc/26/19/84/953261984.db2.gz SCMZBUIVGGCWTG-GFCCVEGCSA-N -1 3 384.444 0.167 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 ZINC001571242968 953261987 /nfs/dbraw/zinc/26/19/87/953261987.db2.gz SCMZBUIVGGCWTG-GFCCVEGCSA-N -1 3 384.444 0.167 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CCN1c1ncccc1-c1nnn[n-]1 ZINC001571242949 953262085 /nfs/dbraw/zinc/26/20/85/953262085.db2.gz RSTIMXHHQFSBTJ-KWCYVHTRSA-N -1 3 384.444 0.261 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)CCN1c1ncccc1-c1nn[n-]n1 ZINC001571242949 953262087 /nfs/dbraw/zinc/26/20/87/953262087.db2.gz RSTIMXHHQFSBTJ-KWCYVHTRSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571243093 953262476 /nfs/dbraw/zinc/26/24/76/953262476.db2.gz VTZVCVCWLOTBMH-VNHYZAJKSA-N -1 3 384.444 0.640 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571243093 953262479 /nfs/dbraw/zinc/26/24/79/953262479.db2.gz VTZVCVCWLOTBMH-VNHYZAJKSA-N -1 3 384.444 0.640 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571243040 953262789 /nfs/dbraw/zinc/26/27/89/953262789.db2.gz UMUVMPJSRVKKDH-GOEBONIOSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571243040 953262791 /nfs/dbraw/zinc/26/27/91/953262791.db2.gz UMUVMPJSRVKKDH-GOEBONIOSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571243087 953262840 /nfs/dbraw/zinc/26/28/40/953262840.db2.gz VOAXTKONQBOBFV-UMVBOHGHSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571243087 953262842 /nfs/dbraw/zinc/26/28/42/953262842.db2.gz VOAXTKONQBOBFV-UMVBOHGHSA-N -1 3 384.444 0.579 20 0 GCADHM CC1(C)CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571243117 953263271 /nfs/dbraw/zinc/26/32/71/953263271.db2.gz WQCRSKOHGHNYPB-SMDDNHRTSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571243117 953263277 /nfs/dbraw/zinc/26/32/77/953263277.db2.gz WQCRSKOHGHNYPB-SMDDNHRTSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@]1(CNc2ncccc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001571243154 953263670 /nfs/dbraw/zinc/26/36/70/953263670.db2.gz XKFNQCISFNEMMQ-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@]1(CNc2ncccc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001571243154 953263674 /nfs/dbraw/zinc/26/36/74/953263674.db2.gz XKFNQCISFNEMMQ-KZULUSFZSA-N -1 3 384.444 0.438 20 0 GCADHM CCCN1C[C@@H](C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CC1=O ZINC001571243212 953264232 /nfs/dbraw/zinc/26/42/32/953264232.db2.gz ZMTKHLSVCWCSEH-STQMWFEESA-N -1 3 384.444 0.215 20 0 GCADHM CCCN1C[C@@H](C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CC1=O ZINC001571243212 953264236 /nfs/dbraw/zinc/26/42/36/953264236.db2.gz ZMTKHLSVCWCSEH-STQMWFEESA-N -1 3 384.444 0.215 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571243232 953264380 /nfs/dbraw/zinc/26/43/80/953264380.db2.gz ZZTZNOYFKNXSEP-UXIGCNINSA-N -1 3 384.444 0.579 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571243232 953264381 /nfs/dbraw/zinc/26/43/81/953264381.db2.gz ZZTZNOYFKNXSEP-UXIGCNINSA-N -1 3 384.444 0.579 20 0 GCADHM CCCn1ncnc1CN[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571245213 953271446 /nfs/dbraw/zinc/27/14/46/953271446.db2.gz FINRYIFZJKEHFD-CYBMUJFWSA-N -1 3 384.448 0.591 20 0 GCADHM CCCn1ncnc1CN[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571245213 953271448 /nfs/dbraw/zinc/27/14/48/953271448.db2.gz FINRYIFZJKEHFD-CYBMUJFWSA-N -1 3 384.448 0.591 20 0 GCADHM CCCn1c(C)nnc1CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571245751 953276910 /nfs/dbraw/zinc/27/69/10/953276910.db2.gz MCIARHSPGMZJCO-CYBMUJFWSA-N -1 3 384.448 0.509 20 0 GCADHM CCCn1c(C)nnc1CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571245751 953276913 /nfs/dbraw/zinc/27/69/13/953276913.db2.gz MCIARHSPGMZJCO-CYBMUJFWSA-N -1 3 384.448 0.509 20 0 GCADHM CCCn1ncnc1CN[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571246034 953279337 /nfs/dbraw/zinc/27/93/37/953279337.db2.gz RCTMOEBVPOGBIA-NEPJUHHUSA-N -1 3 384.448 0.589 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2C)n1 ZINC001571247647 953284741 /nfs/dbraw/zinc/28/47/41/953284741.db2.gz AXJIEXOYFQCLQR-SCDSUCTJSA-N -1 3 384.444 0.307 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CN(C(=O)[C@H]3CC(=O)N(C)C3)C[C@H]2C)n1 ZINC001571247647 953284744 /nfs/dbraw/zinc/28/47/44/953284744.db2.gz AXJIEXOYFQCLQR-SCDSUCTJSA-N -1 3 384.444 0.307 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001571248039 953288954 /nfs/dbraw/zinc/28/89/54/953288954.db2.gz CNXLGPNHKQLNLA-QWHCGFSZSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(C)C2)n1 ZINC001571248039 953288957 /nfs/dbraw/zinc/28/89/57/953288957.db2.gz CNXLGPNHKQLNLA-QWHCGFSZSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)C2)ccc1-c1nnn[n-]1 ZINC001571248827 953297649 /nfs/dbraw/zinc/29/76/49/953297649.db2.gz JMHGCNMAWNDIMM-STQMWFEESA-N -1 3 384.444 0.181 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)C2)ccc1-c1nn[n-]n1 ZINC001571248827 953297653 /nfs/dbraw/zinc/29/76/53/953297653.db2.gz JMHGCNMAWNDIMM-STQMWFEESA-N -1 3 384.444 0.181 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571248951 953298564 /nfs/dbraw/zinc/29/85/64/953298564.db2.gz MMKUJZFHVLEDIU-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571248951 953298568 /nfs/dbraw/zinc/29/85/68/953298568.db2.gz MMKUJZFHVLEDIU-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)n1 ZINC001571248897 953298729 /nfs/dbraw/zinc/29/87/29/953298729.db2.gz LJAVKLWYQFPWKQ-JSGCOSHPSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)[C@@H]3CCC(=O)N3C)C2)n1 ZINC001571248897 953298732 /nfs/dbraw/zinc/29/87/32/953298732.db2.gz LJAVKLWYQFPWKQ-JSGCOSHPSA-N -1 3 384.444 0.276 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571248883 953298914 /nfs/dbraw/zinc/29/89/14/953298914.db2.gz LCVUNUWKHCBWKE-STQMWFEESA-N -1 3 384.444 0.202 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571248883 953298917 /nfs/dbraw/zinc/29/89/17/953298917.db2.gz LCVUNUWKHCBWKE-STQMWFEESA-N -1 3 384.444 0.202 20 0 GCADHM Cc1nc(NC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)ccc1-c1nnn[n-]1 ZINC001571249314 953303406 /nfs/dbraw/zinc/30/34/06/953303406.db2.gz ODZFPUMEIIAHOA-GXTWGEPZSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1nc(NC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)ccc1-c1nn[n-]n1 ZINC001571249314 953303410 /nfs/dbraw/zinc/30/34/10/953303410.db2.gz ODZFPUMEIIAHOA-GXTWGEPZSA-N -1 3 384.444 0.451 20 0 GCADHM O=C(CN1CCCCCC1=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571249434 953304291 /nfs/dbraw/zinc/30/42/91/953304291.db2.gz PPDJQFIEAWWTQW-AWEZNQCLSA-N -1 3 384.444 0.359 20 0 GCADHM O=C(CN1CCCCCC1=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571249434 953304294 /nfs/dbraw/zinc/30/42/94/953304294.db2.gz PPDJQFIEAWWTQW-AWEZNQCLSA-N -1 3 384.444 0.359 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)[C@@H]3CCCC(=O)N3C)C2)n1 ZINC001571250318 953309891 /nfs/dbraw/zinc/30/98/91/953309891.db2.gz QSDJURYJAWYPBZ-OCCSQVGLSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)[C@@H]3CCCC(=O)N3C)C2)n1 ZINC001571250318 953309894 /nfs/dbraw/zinc/30/98/94/953309894.db2.gz QSDJURYJAWYPBZ-OCCSQVGLSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3C)C2)n1 ZINC001571250320 953310782 /nfs/dbraw/zinc/31/07/82/953310782.db2.gz QSDJURYJAWYPBZ-TZMCWYRMSA-N -1 3 384.444 0.276 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3C)C2)n1 ZINC001571250320 953310786 /nfs/dbraw/zinc/31/07/86/953310786.db2.gz QSDJURYJAWYPBZ-TZMCWYRMSA-N -1 3 384.444 0.276 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@H]1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571250407 953311198 /nfs/dbraw/zinc/31/11/98/953311198.db2.gz RHPQOPVCEYKOTJ-AVGNSLFASA-N -1 3 384.444 0.770 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N[C@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571250407 953311201 /nfs/dbraw/zinc/31/12/01/953311201.db2.gz RHPQOPVCEYKOTJ-AVGNSLFASA-N -1 3 384.444 0.770 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)n1 ZINC001571252173 953324617 /nfs/dbraw/zinc/32/46/17/953324617.db2.gz XTLITWCBZPYPEG-KPZWWZAWSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)[C@]3(C)CCNC(=O)C3)C2)n1 ZINC001571252173 953324621 /nfs/dbraw/zinc/32/46/21/953324621.db2.gz XTLITWCBZPYPEG-KPZWWZAWSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)n1 ZINC001571252175 953325494 /nfs/dbraw/zinc/32/54/94/953325494.db2.gz XTLITWCBZPYPEG-SGTLLEGYSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)n1 ZINC001571252175 953325498 /nfs/dbraw/zinc/32/54/98/953325498.db2.gz XTLITWCBZPYPEG-SGTLLEGYSA-N -1 3 384.444 0.499 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1)c1cc(F)c[nH]1 ZINC001571253926 953335145 /nfs/dbraw/zinc/33/51/45/953335145.db2.gz BSMIEWGRTRPILT-HNNXBMFYSA-N -1 3 385.403 0.965 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)c1cc(F)c[nH]1 ZINC001571253926 953335148 /nfs/dbraw/zinc/33/51/48/953335148.db2.gz BSMIEWGRTRPILT-HNNXBMFYSA-N -1 3 385.403 0.965 20 0 GCADHM CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571254171 953335795 /nfs/dbraw/zinc/33/57/95/953335795.db2.gz AIZHJVWVEVUUQY-GHMZBOCLSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571254171 953335800 /nfs/dbraw/zinc/33/58/00/953335800.db2.gz AIZHJVWVEVUUQY-GHMZBOCLSA-N -1 3 385.350 0.972 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C[C@H]2O)c1 ZINC001571254022 953335819 /nfs/dbraw/zinc/33/58/19/953335819.db2.gz CJTMDBYQEIXDRV-HZPDHXFCSA-N -1 3 385.403 0.319 20 0 GCADHM Cn1ccc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C[C@H]2O)c1 ZINC001571254022 953335826 /nfs/dbraw/zinc/33/58/26/953335826.db2.gz CJTMDBYQEIXDRV-HZPDHXFCSA-N -1 3 385.403 0.319 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001571254177 953336128 /nfs/dbraw/zinc/33/61/28/953336128.db2.gz DJTXLXQXUHWMAF-HZPDHXFCSA-N -1 3 385.403 0.617 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001571254177 953336133 /nfs/dbraw/zinc/33/61/33/953336133.db2.gz DJTXLXQXUHWMAF-HZPDHXFCSA-N -1 3 385.403 0.617 20 0 GCADHM O=C(NCC1CN(C[C@H](O)c2ccccc2F)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571254168 953336304 /nfs/dbraw/zinc/33/63/04/953336304.db2.gz DIVRPWGWZXMYJC-INIZCTEOSA-N -1 3 385.403 0.729 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O)c1cc[nH]c1 ZINC001571254269 953336955 /nfs/dbraw/zinc/33/69/55/953336955.db2.gz FGWIYBVJTRXATE-CVEARBPZSA-N -1 3 385.403 0.699 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2cn(C)ccc2=O)c(-c2nnn[n-]2)cn1CC ZINC001571254658 953340702 /nfs/dbraw/zinc/34/07/02/953340702.db2.gz BLWMKHLLNIVTTE-UHFFFAOYSA-N -1 3 385.384 0.816 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2cn(C)ccc2=O)c(-c2nn[n-]n2)cn1CC ZINC001571254658 953340704 /nfs/dbraw/zinc/34/07/04/953340704.db2.gz BLWMKHLLNIVTTE-UHFFFAOYSA-N -1 3 385.384 0.816 20 0 GCADHM CN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)[C@@H]1COC[C@H]1O ZINC001571254705 953341571 /nfs/dbraw/zinc/34/15/71/953341571.db2.gz GHEZGDUZKDITDC-HUUCEWRRSA-N -1 3 385.380 0.870 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)[nH]n1 ZINC001571254996 953344283 /nfs/dbraw/zinc/34/42/83/953344283.db2.gz DMKHXHDYBIYTQY-MGCOHNPYSA-N -1 3 385.388 0.007 20 0 GCADHM CCOc1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]n1 ZINC001571254996 953344291 /nfs/dbraw/zinc/34/42/91/953344291.db2.gz DMKHXHDYBIYTQY-MGCOHNPYSA-N -1 3 385.388 0.007 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)n1cccc1 ZINC001571255228 953346899 /nfs/dbraw/zinc/34/68/99/953346899.db2.gz MXCUFWSPTZZVII-KYOSRNDESA-N -1 3 385.403 0.734 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)n1cccc1 ZINC001571255228 953346902 /nfs/dbraw/zinc/34/69/02/953346902.db2.gz MXCUFWSPTZZVII-KYOSRNDESA-N -1 3 385.403 0.734 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)Cc1cnn(C)c1 ZINC001571255357 953347727 /nfs/dbraw/zinc/34/77/27/953347727.db2.gz OAWFTBHOCMTXOH-HZMBPMFUSA-N -1 3 385.407 0.778 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1cnn(C)c1 ZINC001571255357 953347730 /nfs/dbraw/zinc/34/77/30/953347730.db2.gz OAWFTBHOCMTXOH-HZMBPMFUSA-N -1 3 385.407 0.778 20 0 GCADHM O=C(c1n[nH]cc1F)N1CC2(C1)CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001571255518 953349942 /nfs/dbraw/zinc/34/99/42/953349942.db2.gz MPMRHNCWMZODLD-UHFFFAOYSA-N -1 3 385.363 0.045 20 0 GCADHM O=C(c1n[nH]cc1F)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571255518 953349944 /nfs/dbraw/zinc/34/99/44/953349944.db2.gz MPMRHNCWMZODLD-UHFFFAOYSA-N -1 3 385.363 0.045 20 0 GCADHM Cn1cccc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001571255657 953352929 /nfs/dbraw/zinc/35/29/29/953352929.db2.gz RQIDZMHWNZAGQQ-GDBMZVCRSA-N -1 3 385.403 0.319 20 0 GCADHM Cn1cccc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001571255657 953352922 /nfs/dbraw/zinc/35/29/22/953352922.db2.gz RQIDZMHWNZAGQQ-GDBMZVCRSA-N -1 3 385.403 0.319 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C)n1cncn1 ZINC001571255898 953358734 /nfs/dbraw/zinc/35/87/34/953358734.db2.gz 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393.487 0.564 20 0 GCADHM COC(=O)[C@]1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCOC1 ZINC000446721934 530554541 /nfs/dbraw/zinc/55/45/41/530554541.db2.gz ZDIJFLXDRDLWDC-LBPRGKRZSA-N -1 3 382.847 0.128 20 0 GCADHM Cc1nc(C2([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)CCCC2)no1 ZINC000468432982 530554592 /nfs/dbraw/zinc/55/45/92/530554592.db2.gz QOFZQYXVKBMHPP-UHFFFAOYSA-N -1 3 380.492 0.348 20 0 GCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C2CN(C(C)=O)C2)c(Br)c1 ZINC000568241227 530555055 /nfs/dbraw/zinc/55/50/55/530555055.db2.gz FPXMLAXYXMDQIK-UHFFFAOYSA-N -1 3 391.243 0.745 20 0 GCADHM CNC(=O)c1cc(NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)ccc1Cl ZINC000446965271 530556981 /nfs/dbraw/zinc/55/69/81/530556981.db2.gz GHDBFEHTIUWYMX-UHFFFAOYSA-N -1 3 385.833 0.350 20 0 GCADHM CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)CCNS(=O)(=O)CC ZINC000447198198 530558529 /nfs/dbraw/zinc/55/85/29/530558529.db2.gz DRQPDTYVNXAFIQ-AWEZNQCLSA-N -1 3 392.499 0.020 20 0 GCADHM CC(=O)NCCCNC(=O)C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000568450376 530559954 /nfs/dbraw/zinc/55/99/54/530559954.db2.gz WSPRLDDYJXKHBG-UHFFFAOYSA-N -1 3 381.376 0.626 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C1 ZINC000568489466 530559975 /nfs/dbraw/zinc/55/99/75/530559975.db2.gz KMFXGELPXSFXLI-IUCAKERBSA-N -1 3 392.430 0.894 20 0 GCADHM CC[C@H]1CN(CC)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000568663658 530562023 /nfs/dbraw/zinc/56/20/23/530562023.db2.gz DOIQRAQOPPBHEV-ZDUSSCGKSA-N -1 3 393.535 0.287 20 0 GCADHM COc1ccccc1C(=O)C[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447750291 530562202 /nfs/dbraw/zinc/56/22/02/530562202.db2.gz IQIOMCSLSYREDU-UHFFFAOYSA-N -1 3 378.472 0.079 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000451520594 530583276 /nfs/dbraw/zinc/58/32/76/530583276.db2.gz ZYRUWLOLLRGXOC-OPQQBVKSSA-N -1 3 386.392 0.847 20 0 GCADHM COC(=O)[C@@H](C[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)Oc1ccc(F)cc1 ZINC000447755936 530562594 /nfs/dbraw/zinc/56/25/94/530562594.db2.gz FGCKXGLUYHZHEN-GXFFZTMASA-N -1 3 376.406 0.142 20 0 GCADHM COC(=O)[C@@H](C[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)Oc1ccc(F)cc1 ZINC000447755938 530562744 /nfs/dbraw/zinc/56/27/44/530562744.db2.gz FGCKXGLUYHZHEN-ZWNOBZJWSA-N -1 3 376.406 0.142 20 0 GCADHM COC(=O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000447757283 530562850 /nfs/dbraw/zinc/56/28/50/530562850.db2.gz YBXNIYBESPXBAZ-AWEZNQCLSA-N -1 3 398.547 0.699 20 0 GCADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000568761754 530563067 /nfs/dbraw/zinc/56/30/67/530563067.db2.gz HDCZKYOBNMPPGC-WDEREUQCSA-N -1 3 379.479 0.993 20 0 GCADHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2nc(C)no2)s1 ZINC000447868603 530564118 /nfs/dbraw/zinc/56/41/18/530564118.db2.gz LLQSZABKEKVBDZ-UHFFFAOYSA-N -1 3 394.500 0.400 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000568909532 530564689 /nfs/dbraw/zinc/56/46/89/530564689.db2.gz GOYXDLNMRPCHTD-GFCCVEGCSA-N -1 3 380.492 0.231 20 0 GCADHM COCCOc1ccc(C[N-]S(=O)(=O)c2csc(C(=O)OC)c2)nn1 ZINC000568902045 530564707 /nfs/dbraw/zinc/56/47/07/530564707.db2.gz SIEPGLNJFVLPSJ-UHFFFAOYSA-N -1 3 387.439 0.828 20 0 GCADHM O=S(=O)([N-]C1CC1)c1ccccc1S(=O)(=O)N1CC(O)(C(F)F)C1 ZINC000568993466 530566114 /nfs/dbraw/zinc/56/61/14/530566114.db2.gz COXKILWKXFLFQT-UHFFFAOYSA-N -1 3 382.410 0.128 20 0 GCADHM CCn1cc(S(=O)(=O)[N-]N=c2ccc(S(=O)(=O)NC(C)C)c[nH]2)cn1 ZINC000066579923 530566224 /nfs/dbraw/zinc/56/62/24/530566224.db2.gz KJVTUZGGIPLGPR-UHFFFAOYSA-N -1 3 388.475 0.290 20 0 GCADHM O=C1[N-]C(=O)[C@@]2(CCCN(Cc3cnn4cc(Br)cnc34)C2)N1 ZINC000639116016 530566734 /nfs/dbraw/zinc/56/67/34/530566734.db2.gz REZLWAYMWLNMMT-AWEZNQCLSA-N -1 3 379.218 0.666 20 0 GCADHM Cc1onc(CO)c1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000569138675 530567032 /nfs/dbraw/zinc/56/70/32/530567032.db2.gz QAMFLDBEPWNJKX-UHFFFAOYSA-N -1 3 391.808 0.976 20 0 GCADHM CN(C)CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000569139541 530567173 /nfs/dbraw/zinc/56/71/73/530567173.db2.gz KLARKQQMJWNBDD-UHFFFAOYSA-N -1 3 385.458 0.412 20 0 GCADHM O=S(=O)([N-]CC(F)F)c1ccc(S(=O)(=O)NC2(CCO)CC2)cc1 ZINC000569120413 530567318 /nfs/dbraw/zinc/56/73/18/530567318.db2.gz GKYIMSSJAQLMML-UHFFFAOYSA-N -1 3 384.426 0.423 20 0 GCADHM CN(C)S(=O)(=O)NCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000451523913 530583520 /nfs/dbraw/zinc/58/35/20/530583520.db2.gz BFZIWEWPZUMFRY-UHFFFAOYSA-N -1 3 390.512 0.484 20 0 GCADHM COC[C@H]1C[C@@H](O)CN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000652825909 530567959 /nfs/dbraw/zinc/56/79/59/530567959.db2.gz ZYAGPJOHGIZETQ-NXEZZACHSA-N -1 3 397.280 0.880 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[N-]C2(C(=O)OC)CCCCC2)C1 ZINC000046799365 530569341 /nfs/dbraw/zinc/56/93/41/530569341.db2.gz NJUMLRYSPVWIIJ-CYBMUJFWSA-N -1 3 376.475 0.972 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCN(CCOC)C1 ZINC000572812054 530571480 /nfs/dbraw/zinc/57/14/80/530571480.db2.gz RAGYUEQEDJICEO-MNOVXSKESA-N -1 3 376.397 0.511 20 0 GCADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N3CCCC[C@@H]23)cc1F ZINC000366887995 530571930 /nfs/dbraw/zinc/57/19/30/530571930.db2.gz XGKJHTLBSFKAIG-OLZOCXBDSA-N -1 3 390.458 0.661 20 0 GCADHM NS(=O)(=O)CCCC[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000292924015 530572378 /nfs/dbraw/zinc/57/23/78/530572378.db2.gz YIHFEGFFLQJRGV-UHFFFAOYSA-N -1 3 389.268 0.935 20 0 GCADHM C[C@H]1C[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC(=O)N1 ZINC000572924121 530572710 /nfs/dbraw/zinc/57/27/10/530572710.db2.gz LWMUPQKQUYBOQY-VHSXEESVSA-N -1 3 391.852 0.788 20 0 GCADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H]2CSC[C@H]2C)s1 ZINC000572946872 530573093 /nfs/dbraw/zinc/57/30/93/530573093.db2.gz FXNUDOANYUQPNF-SKDRFNHKSA-N -1 3 391.540 0.530 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)C(=O)N1CCOCC1 ZINC000451127459 530573193 /nfs/dbraw/zinc/57/31/93/530573193.db2.gz UQUKXRISQVBVFH-UWVGGRQHSA-N -1 3 390.380 0.037 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C)CN1CCN(C)CC1 ZINC000451172383 530574221 /nfs/dbraw/zinc/57/42/21/530574221.db2.gz RNSUSPWUXKKPJH-RYUDHWBXSA-N -1 3 389.440 0.426 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000573055593 530574935 /nfs/dbraw/zinc/57/49/35/530574935.db2.gz YHMICJOUMPQRJW-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000573055593 530574939 /nfs/dbraw/zinc/57/49/39/530574939.db2.gz YHMICJOUMPQRJW-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@@H](O)C1CCOCC1 ZINC000451233126 530575365 /nfs/dbraw/zinc/57/53/65/530575365.db2.gz HMRQRGDXAMVFOM-GHMZBOCLSA-N -1 3 377.381 0.577 20 0 GCADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCCC[C@@H]1C(=O)OC ZINC000367035242 530575376 /nfs/dbraw/zinc/57/53/76/530575376.db2.gz ISTHEQSVOXDDAU-GFCCVEGCSA-N -1 3 390.483 0.701 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@H](C)N1CCN(C)CC1 ZINC000451235102 530575501 /nfs/dbraw/zinc/57/55/01/530575501.db2.gz HLQUPKCONTWJFE-NWDGAFQWSA-N -1 3 389.440 0.426 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]Cc1ccc(C(N)=O)nc1 ZINC000451294240 530577264 /nfs/dbraw/zinc/57/72/64/530577264.db2.gz HANLOWQDPNDFBP-SNVBAGLBSA-N -1 3 383.348 0.484 20 0 GCADHM CCOC(=O)CC1(S(=O)(=O)[N-][C@@H](C(=O)OCC)C2CCOCC2)CC1 ZINC000451347036 530577584 /nfs/dbraw/zinc/57/75/84/530577584.db2.gz FPZITHBHNIMTHV-CQSZACIVSA-N -1 3 377.459 0.750 20 0 GCADHM CCOC[C@H](C)CS(=O)(=O)[N-]C1(C(=O)OC)CCC(C(=O)OC)CC1 ZINC000451363359 530578553 /nfs/dbraw/zinc/57/85/53/530578553.db2.gz SISOAAAABPGIKI-FUJMWEONSA-N -1 3 379.475 0.853 20 0 GCADHM O=C1[N-]C(=O)N2CCN(S(=O)(=O)c3cccc4c(Cl)ccnc43)C[C@H]12 ZINC000451382000 530578920 /nfs/dbraw/zinc/57/89/20/530578920.db2.gz HFQWJMIUCRZCNH-LLVKDONJSA-N -1 3 380.813 0.813 20 0 GCADHM CC[C@H](CCO)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000535625771 530579878 /nfs/dbraw/zinc/57/98/78/530579878.db2.gz ICFBRDHBJBLYFC-LLVKDONJSA-N -1 3 380.488 0.896 20 0 GCADHM COC[C@]1(C)NC(=O)N(CC[N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000573425496 530579885 /nfs/dbraw/zinc/57/98/85/530579885.db2.gz YIWIQVJKYLJTAV-LBPRGKRZSA-N -1 3 381.863 0.637 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)c(OC)c1 ZINC000535617586 530580164 /nfs/dbraw/zinc/58/01/64/530580164.db2.gz MKSYMOJPRZVPBX-SNVBAGLBSA-N -1 3 393.487 0.212 20 0 GCADHM Cc1csc(S(=O)(=O)[N-]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)c1 ZINC000451558805 530584174 /nfs/dbraw/zinc/58/41/74/530584174.db2.gz QSYYXTIGFKXHFB-LBPRGKRZSA-N -1 3 381.545 0.996 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCN1CCO[C@H](CC)C1 ZINC000451471482 530581785 /nfs/dbraw/zinc/58/17/85/530581785.db2.gz IEXJELWYRZCQPI-NEPJUHHUSA-N -1 3 390.424 0.901 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000536546552 530582132 /nfs/dbraw/zinc/58/21/32/530582132.db2.gz FVXYGXJBMLUTSI-UHFFFAOYSA-N -1 3 379.463 0.855 20 0 GCADHM CC[C@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1)C(F)F ZINC000583575994 530582361 /nfs/dbraw/zinc/58/23/61/530582361.db2.gz YWJILRPPGSTKTD-SKDRFNHKSA-N -1 3 386.442 0.668 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)NCc1nncn1C1CC1 ZINC000518950414 530582378 /nfs/dbraw/zinc/58/23/78/530582378.db2.gz QHGKDDZSHIGYBO-UHFFFAOYSA-N -1 3 375.863 0.923 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000451511420 530582842 /nfs/dbraw/zinc/58/28/42/530582842.db2.gz QPFVPWRESJBWJC-GMTAPVOTSA-N -1 3 386.392 0.943 20 0 GCADHM C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000536002352 530589067 /nfs/dbraw/zinc/58/90/67/530589067.db2.gz IGUVITNIMYSMDI-QMMMGPOBSA-N -1 3 380.875 0.936 20 0 GCADHM C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000536002345 530589309 /nfs/dbraw/zinc/58/93/09/530589309.db2.gz IGUVITNIMYSMDI-MRVPVSSYSA-N -1 3 380.875 0.936 20 0 GCADHM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000451786776 530589569 /nfs/dbraw/zinc/58/95/69/530589569.db2.gz IANVUFGMTDSVHA-CHWSQXEVSA-N -1 3 392.499 0.267 20 0 GCADHM CS(=O)(=O)[C@@H]1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)C1 ZINC000096369221 530589759 /nfs/dbraw/zinc/58/97/59/530589759.db2.gz LGGGELBFBBUZMB-LLVKDONJSA-N -1 3 378.447 0.140 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1)C(N)=O ZINC000574291170 530589839 /nfs/dbraw/zinc/58/98/39/530589839.db2.gz SYBXMFVHMUSXIH-IUCAKERBSA-N -1 3 399.441 0.161 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)[N-]Cc2nnc(SC)s2)C1 ZINC000527326854 530590031 /nfs/dbraw/zinc/59/00/31/530590031.db2.gz WONXXTOLPVSJOE-SECBINFHSA-N -1 3 380.517 0.870 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@H]1CCOC[C@H]1OC ZINC000451793355 530590182 /nfs/dbraw/zinc/59/01/82/530590182.db2.gz VOTYDDFKVXKFEE-GMTAPVOTSA-N -1 3 377.381 0.841 20 0 GCADHM NC(=O)[C@@]1([N-]S(=O)(=O)CCc2ccccc2Br)CCOC1 ZINC000574339528 530590481 /nfs/dbraw/zinc/59/04/81/530590481.db2.gz SINPUJQSJUDGGT-CYBMUJFWSA-N -1 3 377.260 0.555 20 0 GCADHM CC(C)OC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(C)C ZINC000451830118 530590838 /nfs/dbraw/zinc/59/08/38/530590838.db2.gz CPCYLVSYUVPZSU-ZDUSSCGKSA-N -1 3 378.472 0.740 20 0 GCADHM CCN1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)CC1=O ZINC000451870924 530591030 /nfs/dbraw/zinc/59/10/30/530591030.db2.gz QMPJVFIKJRFSLN-QMMMGPOBSA-N -1 3 390.439 0.220 20 0 GCADHM CC[C@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC)[C@@H](C)O ZINC000451883101 530591400 /nfs/dbraw/zinc/59/14/00/530591400.db2.gz BATCYPFNLVSAPK-PWSUYJOCSA-N -1 3 380.488 0.895 20 0 GCADHM CC[C@@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC)[C@@H](C)O ZINC000451883106 530591656 /nfs/dbraw/zinc/59/16/56/530591656.db2.gz BATCYPFNLVSAPK-ZYHUDNBSSA-N -1 3 380.488 0.895 20 0 GCADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC(O)(COC)CC2)s1 ZINC000536170907 530592024 /nfs/dbraw/zinc/59/20/24/530592024.db2.gz YRRFDIAFYYANMO-UHFFFAOYSA-N -1 3 377.488 0.339 20 0 GCADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1 ZINC000451905386 530592080 /nfs/dbraw/zinc/59/20/80/530592080.db2.gz CWLHAEVCBVMTNI-CQSZACIVSA-N -1 3 389.499 0.867 20 0 GCADHM CC[C@H]([N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)[C@H](C)O ZINC000451901258 530592225 /nfs/dbraw/zinc/59/22/25/530592225.db2.gz ZLAYDDKLLLPCBU-JQWIXIFHSA-N -1 3 384.545 0.668 20 0 GCADHM CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C(COC)COC)c1OC ZINC000451893732 530592274 /nfs/dbraw/zinc/59/22/74/530592274.db2.gz YDCLKGNBOSSHIW-UHFFFAOYSA-N -1 3 380.850 0.648 20 0 GCADHM O=S(=O)([N-]CCN[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1F ZINC000577024205 530614993 /nfs/dbraw/zinc/61/49/93/530614993.db2.gz XZUALXQMKLPPGP-NSHDSACASA-N -1 3 384.882 0.924 20 0 GCADHM CO[C@@H]1COC[C@@H]1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000519334883 530592549 /nfs/dbraw/zinc/59/25/49/530592549.db2.gz NVJLOHZTNPIGFS-NWDGAFQWSA-N -1 3 395.840 0.470 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H](CO)c1cccc(F)c1 ZINC000536215973 530592629 /nfs/dbraw/zinc/59/26/29/530592629.db2.gz SGJOKPAKIQOCGH-NSHDSACASA-N -1 3 386.177 0.700 20 0 GCADHM CN(C)S(=O)(=O)N[C@H](C[N-]S(=O)(=O)c1cncc(F)c1)C1CCCC1 ZINC000451920319 530592726 /nfs/dbraw/zinc/59/27/26/530592726.db2.gz GNQMVJKUIVUKRG-CQSZACIVSA-N -1 3 394.494 0.454 20 0 GCADHM CN(C)S(=O)(=O)N[C@@H](C[N-]S(=O)(=O)c1cncc(F)c1)C1CCCC1 ZINC000451920318 530592736 /nfs/dbraw/zinc/59/27/36/530592736.db2.gz GNQMVJKUIVUKRG-AWEZNQCLSA-N -1 3 394.494 0.454 20 0 GCADHM CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C1(C(=O)OC)CCOCC1 ZINC000451941650 530593165 /nfs/dbraw/zinc/59/31/65/530593165.db2.gz BAYQHADLXGKVRO-UHFFFAOYSA-N -1 3 375.399 0.629 20 0 GCADHM CNS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)c1 ZINC000519375678 530593333 /nfs/dbraw/zinc/59/33/33/530593333.db2.gz YKHJAALWXBPGQP-UHFFFAOYSA-N -1 3 388.423 0.453 20 0 GCADHM CC[C@@H]1CN(CC)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000451938357 530593328 /nfs/dbraw/zinc/59/33/28/530593328.db2.gz WUZKDWFNTMUONE-CYBMUJFWSA-N -1 3 375.516 0.700 20 0 GCADHM Cc1cc(CS(=O)(=O)[N-]C[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)on1 ZINC000451925894 530593500 /nfs/dbraw/zinc/59/35/00/530593500.db2.gz POTGOEFINRLDQA-CQSZACIVSA-N -1 3 394.519 0.357 20 0 GCADHM COC(=O)[C@H]([N-]S(=O)(=O)N1CCOC(C)(C)C1)[C@H]1CCC[C@H](OC)C1 ZINC000519411764 530593783 /nfs/dbraw/zinc/59/37/83/530593783.db2.gz SYTNCCAFOIEFAT-MELADBBJSA-N -1 3 378.491 0.678 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C1(C(=O)OC)CCOCC1 ZINC000451943356 530593803 /nfs/dbraw/zinc/59/38/03/530593803.db2.gz IZSMEOIPQVLHRF-VIFPVBQESA-N -1 3 391.364 0.512 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC[C@@H](CO)[C@H](O)C1 ZINC000574694745 530594025 /nfs/dbraw/zinc/59/40/25/530594025.db2.gz WYEIDCJSVMTUGK-TVQRCGJNSA-N -1 3 397.280 0.473 20 0 GCADHM COc1ccc(Cl)cc1CS(=O)(=O)[N-]C[C@H]1CS(=O)(=O)CCO1 ZINC000536634422 530594064 /nfs/dbraw/zinc/59/40/64/530594064.db2.gz CNJOWMFNQPBPMM-LBPRGKRZSA-N -1 3 383.875 0.582 20 0 GCADHM COC(=O)[C@H]([N-]S(=O)(=O)N1CCOC(C)(C)C1)[C@@H]1CCC[C@H](OC)C1 ZINC000519411763 530594112 /nfs/dbraw/zinc/59/41/12/530594112.db2.gz SYTNCCAFOIEFAT-HZSPNIEDSA-N -1 3 378.491 0.678 20 0 GCADHM O=S(=O)([N-]C[C@H]1CS(=O)(=O)CCO1)c1cc(C(F)(F)F)ccc1F ZINC000536634478 530594224 /nfs/dbraw/zinc/59/42/24/530594224.db2.gz XTLDPBMIZJFBCA-VIFPVBQESA-N -1 3 391.364 0.936 20 0 GCADHM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000451964551 530594717 /nfs/dbraw/zinc/59/47/17/530594717.db2.gz KDNCEJAGLADZSA-SNVBAGLBSA-N -1 3 375.447 0.872 20 0 GCADHM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000451959664 530594780 /nfs/dbraw/zinc/59/47/80/530594780.db2.gz STKYMEYEMBBJGO-GFCCVEGCSA-N -1 3 389.499 0.274 20 0 GCADHM C[C@@H](O)CN(CC(F)F)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000451995243 530595278 /nfs/dbraw/zinc/59/52/78/530595278.db2.gz QWFDNLCPEQVINO-SNVBAGLBSA-N -1 3 398.453 0.764 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CCN1CCC(O)CC1 ZINC000452000659 530595655 /nfs/dbraw/zinc/59/56/55/530595655.db2.gz VRIDWNCMPQXGJO-NSHDSACASA-N -1 3 376.397 0.247 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ncn(C)n2)cc1F ZINC000536704797 530596143 /nfs/dbraw/zinc/59/61/43/530596143.db2.gz HPEPKXNXFIRKRQ-UHFFFAOYSA-N -1 3 377.423 0.194 20 0 GCADHM COC(=O)C1CCC([N-]S(=O)(=O)N(C)[C@@H](C)C2CC2)(C(=O)OC)CC1 ZINC000536705654 530596389 /nfs/dbraw/zinc/59/63/89/530596389.db2.gz MVDCXFLODUKUKX-XOMBGVMMSA-N -1 3 376.475 0.826 20 0 GCADHM Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCc3ccc(Cl)s3)cnc21 ZINC000171417357 530597358 /nfs/dbraw/zinc/59/73/58/530597358.db2.gz YZYZTNIEFCMAAF-UHFFFAOYSA-N -1 3 386.842 0.815 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)C2CCC2)c(C(=O)OC)s1 ZINC000452053561 530597653 /nfs/dbraw/zinc/59/76/53/530597653.db2.gz PFCDKGQMFYFDDI-VIFPVBQESA-N -1 3 377.440 0.761 20 0 GCADHM CC[C@@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1)C(=O)NC ZINC000452073066 530598002 /nfs/dbraw/zinc/59/80/02/530598002.db2.gz AMGPNSVETGEDMB-GFCCVEGCSA-N -1 3 395.478 0.779 20 0 GCADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(=O)NC ZINC000452082593 530598724 /nfs/dbraw/zinc/59/87/24/530598724.db2.gz KXEULGDXCJMTOA-SNVBAGLBSA-N -1 3 378.834 0.938 20 0 GCADHM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000580517618 530598839 /nfs/dbraw/zinc/59/88/39/530598839.db2.gz JRSYICJCUZBLOJ-GFCCVEGCSA-N -1 3 380.825 0.631 20 0 GCADHM CC[C@H]([N-]S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br)C(=O)NC ZINC000452085596 530598912 /nfs/dbraw/zinc/59/89/12/530598912.db2.gz NYCLMOGABITSPF-ZETCQYMHSA-N -1 3 391.247 0.834 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@]2(C)CO)c(OC)c1 ZINC000527386091 530599038 /nfs/dbraw/zinc/59/90/38/530599038.db2.gz VRBBNKZBVRAJGD-OAHLLOKOSA-N -1 3 392.499 0.992 20 0 GCADHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)NC ZINC000452085504 530599099 /nfs/dbraw/zinc/59/90/99/530599099.db2.gz NWCVWSCTXWYLLG-SNVBAGLBSA-N -1 3 377.850 0.511 20 0 GCADHM Cc1nc(S(=O)(=O)N2CCN(C(=O)Cc3cncc([O-])c3)CC2)cs1 ZINC000519706101 530599578 /nfs/dbraw/zinc/59/95/78/530599578.db2.gz LNQDGBZZTMJAFR-UHFFFAOYSA-N -1 3 382.467 0.628 20 0 GCADHM O=S(=O)([N-]C1CC1)c1ccccc1S(=O)(=O)N1CC[C@@H](CCCO)C1 ZINC000452110010 530600055 /nfs/dbraw/zinc/60/00/55/530600055.db2.gz PKBRGEPLWXDMND-CYBMUJFWSA-N -1 3 388.511 0.910 20 0 GCADHM O=S(=O)([N-]C[C@]1(O)CCS(=O)(=O)C1)c1ccc(Br)s1 ZINC000575431043 530600142 /nfs/dbraw/zinc/60/01/42/530600142.db2.gz RMKRZBFWRBOKFY-SECBINFHSA-N -1 3 390.302 0.339 20 0 GCADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCN(C(C)(C)C)C2=O)s1 ZINC000575744359 530600503 /nfs/dbraw/zinc/60/05/03/530600503.db2.gz SAVGZWYATJQZON-NSHDSACASA-N -1 3 388.515 0.855 20 0 GCADHM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)o1 ZINC000532096315 530601008 /nfs/dbraw/zinc/60/10/08/530601008.db2.gz HPBTYOAFKDHVBA-SECBINFHSA-N -1 3 386.455 0.858 20 0 GCADHM CS(=O)(=O)C[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000575931100 530603042 /nfs/dbraw/zinc/60/30/42/530603042.db2.gz NQTTWBDLBGJVLR-LLVKDONJSA-N -1 3 395.528 0.103 20 0 GCADHM CS(=O)(=O)C[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000575931103 530603343 /nfs/dbraw/zinc/60/33/43/530603343.db2.gz NQTTWBDLBGJVLR-NSHDSACASA-N -1 3 395.528 0.103 20 0 GCADHM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000532194709 530603877 /nfs/dbraw/zinc/60/38/77/530603877.db2.gz CPXAHBFOBSWAMM-RXMQYKEDSA-N -1 3 377.220 0.444 20 0 GCADHM O=S(=O)([N-]CC(F)F)c1ccc(S(=O)(=O)NC[C@@H](O)C2CC2)cc1 ZINC000576122627 530605602 /nfs/dbraw/zinc/60/56/02/530605602.db2.gz HQVKEIYSWNAICJ-GFCCVEGCSA-N -1 3 384.426 0.279 20 0 GCADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)s1 ZINC000576132243 530605750 /nfs/dbraw/zinc/60/57/50/530605750.db2.gz MROCYHPYVRGCGN-UWVGGRQHSA-N -1 3 376.460 0.016 20 0 GCADHM O=C(c1cnn2cc(Br)cnc12)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329107111 530605917 /nfs/dbraw/zinc/60/59/17/530605917.db2.gz OZUVUUBYOLZDSE-VIFPVBQESA-N -1 3 379.174 0.708 20 0 GCADHM Cc1nn2cc(S(=O)(=O)[N-][C@H](C)C(=O)N3CCOCC3)cnc2c1Cl ZINC000329122108 530606572 /nfs/dbraw/zinc/60/65/72/530606572.db2.gz KRJQFTMFOUXPMS-SNVBAGLBSA-N -1 3 387.849 0.217 20 0 GCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000452907142 530606597 /nfs/dbraw/zinc/60/65/97/530606597.db2.gz FLQRARZPZYHCHJ-GXFFZTMASA-N -1 3 386.246 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0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2nccn2C)cc1F ZINC000501967806 530871675 /nfs/dbraw/zinc/87/16/75/530871675.db2.gz IPNLESLQJDTTIQ-UHFFFAOYSA-N -1 3 376.435 0.799 20 0 GCADHM CSc1ccc([O-])c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 ZINC000621814211 530871935 /nfs/dbraw/zinc/87/19/35/530871935.db2.gz GPAXUQDALCSBJS-ZFWWWQNUSA-N -1 3 386.495 0.030 20 0 GCADHM CC(C)c1nc(S(=O)(=O)[N-]CCS(=O)(=O)N2CCSCC2)c[nH]1 ZINC000610470059 530872207 /nfs/dbraw/zinc/87/22/07/530872207.db2.gz DBGVCSSDMHUQCB-UHFFFAOYSA-N -1 3 382.533 0.190 20 0 GCADHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]Cc2nccn2C)s1 ZINC000501988053 530872216 /nfs/dbraw/zinc/87/22/16/530872216.db2.gz WUACEYOMUIJPEM-UHFFFAOYSA-N -1 3 392.528 0.442 20 0 GCADHM CCc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)cn1 ZINC000349463125 530872348 /nfs/dbraw/zinc/87/23/48/530872348.db2.gz JBTNKCQXSAIHKU-UHFFFAOYSA-N -1 3 378.476 0.528 20 0 GCADHM COC(=O)Cc1csc(NC(=O)C[N-]S(=O)(=O)CCOC(C)C)n1 ZINC000610483964 530873816 /nfs/dbraw/zinc/87/38/16/530873816.db2.gz OPMAMDSAGMDWRS-UHFFFAOYSA-N -1 3 379.460 0.142 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cccnc2)C[C@@H]1O ZINC000349456346 530873845 /nfs/dbraw/zinc/87/38/45/530873845.db2.gz DMOAKVQOZJWXCQ-OCCSQVGLSA-N -1 3 377.488 0.246 20 0 GCADHM C[C@](O)(CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1)C1CC1 ZINC000656366330 530837298 /nfs/dbraw/zinc/83/72/98/530837298.db2.gz PQUYMTVHJPLQIR-AWEZNQCLSA-N -1 3 398.453 0.669 20 0 GCADHM CCNC(=O)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C ZINC000656373400 530838255 /nfs/dbraw/zinc/83/82/55/530838255.db2.gz DDPYGLPIWGOICN-UHFFFAOYSA-N -1 3 377.488 0.178 20 0 GCADHM CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)[N-]CC(F)(F)CN ZINC000493470552 530838399 /nfs/dbraw/zinc/83/83/99/530838399.db2.gz ACCUYMHVORKXNY-UHFFFAOYSA-N -1 3 376.834 0.757 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC[C@H]1[C@@H](C)O ZINC000493504261 530838507 /nfs/dbraw/zinc/83/85/07/530838507.db2.gz QOTGDHQOSAZUBT-OLZOCXBDSA-N -1 3 376.500 0.909 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(OCCOCC)C1 ZINC000493523466 530838631 /nfs/dbraw/zinc/83/86/31/530838631.db2.gz JQRFPAUACHJJNV-UHFFFAOYSA-N -1 3 392.499 0.411 20 0 GCADHM C[C@@H](O)c1cn(C2CN(C(=O)[C@@H](C)[N-]S(=O)(=O)c3cccs3)C2)nn1 ZINC000378533176 530838803 /nfs/dbraw/zinc/83/88/03/530838803.db2.gz LNZXHIWDPPIVJB-NXEZZACHSA-N -1 3 385.471 0.143 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000493737769 530839084 /nfs/dbraw/zinc/83/90/84/530839084.db2.gz NSUXOZPXAPVCBS-CHWSQXEVSA-N -1 3 376.500 0.766 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](C)[C@@H]1CO ZINC000493637394 530839107 /nfs/dbraw/zinc/83/91/07/530839107.db2.gz XKIRMKAKYRGWJB-STQMWFEESA-N -1 3 376.500 0.766 20 0 GCADHM CN(C)c1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C)C2)nc1 ZINC000656378144 530839160 /nfs/dbraw/zinc/83/91/60/530839160.db2.gz YGHHSJCXIMDLCL-UHFFFAOYSA-N -1 3 390.531 0.951 20 0 GCADHM CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCc1cnc(C)[n-]c1=O ZINC000493603833 530839305 /nfs/dbraw/zinc/83/93/05/530839305.db2.gz KJZDSYPQRIGURW-UHFFFAOYSA-N -1 3 386.455 0.267 20 0 GCADHM CS(=O)(=O)CCN1CCC([N-]S(=O)(=O)c2cn3c(n2)CCCC3)CC1 ZINC000378591324 530840180 /nfs/dbraw/zinc/84/01/80/530840180.db2.gz BEFHRXQBQHBRPC-UHFFFAOYSA-N -1 3 390.531 0.007 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000493901452 530840616 /nfs/dbraw/zinc/84/06/16/530840616.db2.gz ULBAANLTHYFVJQ-OLZOCXBDSA-N -1 3 375.516 0.698 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)CC1(C)C ZINC000493900284 530840941 /nfs/dbraw/zinc/84/09/41/530840941.db2.gz KVYDGFLKLOSVLH-UHFFFAOYSA-N -1 3 375.516 0.700 20 0 GCADHM CNC(=O)c1cccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC000023321221 530842109 /nfs/dbraw/zinc/84/21/09/530842109.db2.gz RTONWQLRDIZYNP-UHFFFAOYSA-N -1 3 381.186 0.297 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2CCO)c(OC)c1 ZINC000494274894 530842214 /nfs/dbraw/zinc/84/22/14/530842214.db2.gz ULVBTUJCVINPBD-ZDUSSCGKSA-N -1 3 392.499 0.992 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](O)[C@H](C)C2)c(OC)c1 ZINC000494284485 530842487 /nfs/dbraw/zinc/84/24/87/530842487.db2.gz GFTHUHNBUREXQD-YPMHNXCESA-N -1 3 392.499 0.848 20 0 GCADHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC(F)(F)C1 ZINC000656381891 530842745 /nfs/dbraw/zinc/84/27/45/530842745.db2.gz HDIZVBOQULLSIY-JTQLQIEISA-N -1 3 386.446 0.957 20 0 GCADHM COC(=O)[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)CC(C)C ZINC000610201367 530842947 /nfs/dbraw/zinc/84/29/47/530842947.db2.gz FARJKCKUNNGFTF-SECBINFHSA-N -1 3 390.234 0.663 20 0 GCADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC1CN(S(C)(=O)=O)C1 ZINC000494311091 530843072 /nfs/dbraw/zinc/84/30/72/530843072.db2.gz LIFVYMKVERFNHA-UHFFFAOYSA-N -1 3 396.874 0.296 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)[nH]1 ZINC000621343657 530843321 /nfs/dbraw/zinc/84/33/21/530843321.db2.gz MOBFZADTLLHQQI-UHFFFAOYSA-N -1 3 382.467 0.758 20 0 GCADHM COCCOc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000029210874 530843523 /nfs/dbraw/zinc/84/35/23/530843523.db2.gz RAEQATVCXMPILL-UHFFFAOYSA-N -1 3 398.213 0.963 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@H](C(N)=O)C1 ZINC000494378986 530843809 /nfs/dbraw/zinc/84/38/09/530843809.db2.gz UWLXEIOCMBGUDU-ZANVPECISA-N -1 3 393.462 0.472 20 0 GCADHM CC[C@@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000582497805 530844650 /nfs/dbraw/zinc/84/46/50/530844650.db2.gz ZTEPTXUVNUQLCG-CYBMUJFWSA-N -1 3 386.442 0.669 20 0 GCADHM COc1ccc(F)cc1S(=O)(=O)[N-]CCNS(=O)(=O)Cc1ccon1 ZINC000645587523 530844774 /nfs/dbraw/zinc/84/47/74/530844774.db2.gz RUAFUWVFGBOFNP-UHFFFAOYSA-N -1 3 393.418 0.220 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(CC)C(=O)[C@H]1C ZINC000494577849 530845558 /nfs/dbraw/zinc/84/55/58/530845558.db2.gz GPJULSGKBUQWRL-GFCCVEGCSA-N -1 3 389.499 0.226 20 0 GCADHM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC2(CO)COC2)c1OC ZINC000583827763 530898812 /nfs/dbraw/zinc/89/88/12/530898812.db2.gz XLPYNPIPRQRWHJ-UHFFFAOYSA-N -1 3 379.818 0.422 20 0 GCADHM C[C@H]1CSC[C@@H]1NS(=O)(=O)CCCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349594111 530898955 /nfs/dbraw/zinc/89/89/55/530898955.db2.gz VIXWZOFUUPMFFX-JQWIXIFHSA-N -1 3 382.533 0.603 20 0 GCADHM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(F)c1)[C@H]1CCOC1 ZINC000349539328 530901081 /nfs/dbraw/zinc/90/10/81/530901081.db2.gz VYIABQVSQZGTPZ-RYUDHWBXSA-N -1 3 395.478 0.697 20 0 GCADHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)Cc1ccco1 ZINC000349542862 530901618 /nfs/dbraw/zinc/90/16/18/530901618.db2.gz YGYCUXVLBVPNRK-UHFFFAOYSA-N -1 3 376.460 0.905 20 0 GCADHM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1CCCSC1)[N-]c1cn[nH]c1 ZINC000349547344 530902772 /nfs/dbraw/zinc/90/27/72/530902772.db2.gz DTKLWHAIEPDZCI-NSHDSACASA-N -1 3 382.533 0.604 20 0 GCADHM CC(C)[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)CCO1 ZINC000349552937 530903950 /nfs/dbraw/zinc/90/39/50/530903950.db2.gz KVTRUUSMBJDOMN-JSGCOSHPSA-N -1 3 394.519 0.665 20 0 GCADHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCC[C@]1(C)CO ZINC000349553796 530904417 /nfs/dbraw/zinc/90/44/17/530904417.db2.gz LOZNAZHLNBFJTN-UONOGXRCSA-N -1 3 394.519 0.320 20 0 GCADHM COCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000507518317 530905287 /nfs/dbraw/zinc/90/52/87/530905287.db2.gz PUVJARPQFOPFCP-UHFFFAOYSA-N -1 3 376.378 0.452 20 0 GCADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CSC[C@H]2C)ccc1F ZINC000507666591 530906526 /nfs/dbraw/zinc/90/65/26/530906526.db2.gz IXVARXYKLBIRJB-LDYMZIIASA-N -1 3 375.447 0.540 20 0 GCADHM O=S(=O)(CCCS(=O)(=O)N[C@H]1CCO[C@H](C2CC2)C1)[N-]c1cn[nH]c1 ZINC000349561264 530906817 /nfs/dbraw/zinc/90/68/17/530906817.db2.gz ZXRZNCNEWNULSG-JSGCOSHPSA-N -1 3 392.503 0.419 20 0 GCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)CCO2)c(Cl)c1 ZINC000507890070 530908316 /nfs/dbraw/zinc/90/83/16/530908316.db2.gz PXEQRZPZKWTCSK-SNVBAGLBSA-N -1 3 397.858 0.219 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)[C@H](O)C2)c(OC)c1 ZINC000507919255 530908489 /nfs/dbraw/zinc/90/84/89/530908489.db2.gz IRUJJMYXYVQHDG-CMPLNLGQSA-N -1 3 378.472 0.458 20 0 GCADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)[C@H](O)C2)cc1F ZINC000507972878 530909317 /nfs/dbraw/zinc/90/93/17/530909317.db2.gz YXOJVTQKSSBMPN-IINYFYTJSA-N -1 3 380.463 0.977 20 0 GCADHM CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](C)C2)cc1F ZINC000507972876 530909346 /nfs/dbraw/zinc/90/93/46/530909346.db2.gz YXOJVTQKSSBMPN-HZMBPMFUSA-N -1 3 380.463 0.977 20 0 GCADHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000657099374 530875580 /nfs/dbraw/zinc/87/55/80/530875580.db2.gz HJMZVQZLCHJTLA-JMJZKYOTSA-N -1 3 396.512 0.036 20 0 GCADHM CCNC(=O)[C@H](C)NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000502635963 530875588 /nfs/dbraw/zinc/87/55/88/530875588.db2.gz QEIRMSPLOHRHDA-QMMMGPOBSA-N -1 3 382.895 0.504 20 0 GCADHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000657099372 530875614 /nfs/dbraw/zinc/87/56/14/530875614.db2.gz HJMZVQZLCHJTLA-FBIMIBRVSA-N -1 3 396.512 0.036 20 0 GCADHM CCN1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C[C@H]1C ZINC000349476788 530875650 /nfs/dbraw/zinc/87/56/50/530875650.db2.gz PTDGVTWDKSJVTC-CHWSQXEVSA-N -1 3 393.535 0.286 20 0 GCADHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000657099611 530875990 /nfs/dbraw/zinc/87/59/90/530875990.db2.gz JRKIQUYIWZXUCY-NXEZZACHSA-N -1 3 391.364 0.935 20 0 GCADHM CN(C[C@H]1CCCN1C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349477808 530876338 /nfs/dbraw/zinc/87/63/38/530876338.db2.gz RDXZRYLFUKDTQF-CQSZACIVSA-N -1 3 390.531 0.569 20 0 GCADHM C[C@]([N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1)(C(N)=O)c1ccccc1 ZINC000502728374 530876731 /nfs/dbraw/zinc/87/67/31/530876731.db2.gz NNPLQHACAQUEAU-MRXNPFEDSA-N -1 3 382.463 0.769 20 0 GCADHM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000657101287 530876982 /nfs/dbraw/zinc/87/69/82/530876982.db2.gz RDZYRQMRYPDOQF-JPPWEJMLSA-N -1 3 379.422 0.839 20 0 GCADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C[C@H]1COCCO1 ZINC000657124256 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/nfs/dbraw/zinc/19/68/08/531196808.db2.gz BRAGLIFMSUZKJM-DEOSSOPVSA-N -1 3 389.451 0.449 20 0 GCADHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]CCC[S@@](C)=O)c1 ZINC000443120879 531197094 /nfs/dbraw/zinc/19/70/94/531197094.db2.gz QCBTWDJJHJHZJM-HSZRJFAPSA-N -1 3 377.440 0.307 20 0 GCADHM COCC[C@H](C)S(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000443101632 531197168 /nfs/dbraw/zinc/19/71/68/531197168.db2.gz IZUMPAVVKRFIDR-JTQLQIEISA-N -1 3 386.442 0.588 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](C(C)C)N1CCOCC1 ZINC000443103171 531197327 /nfs/dbraw/zinc/19/73/27/531197327.db2.gz QSCFPMVEGKISOJ-NSHDSACASA-N -1 3 377.488 0.565 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-]CCC[S@](C)=O)c(C(=O)OC)s1 ZINC000443126401 531197370 /nfs/dbraw/zinc/19/73/70/531197370.db2.gz YVJPYDSJUAAWMB-QFIPXVFZSA-N -1 3 383.469 0.368 20 0 GCADHM C[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)cc1 ZINC000566487005 531198954 /nfs/dbraw/zinc/19/89/54/531198954.db2.gz MPBCLVQADYDXCJ-ZJUUUORDSA-N -1 3 386.442 0.668 20 0 GCADHM CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000443210030 531198440 /nfs/dbraw/zinc/19/84/40/531198440.db2.gz UZJWBSHTQLPWFZ-GFCCVEGCSA-N -1 3 389.499 0.226 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000736037439 598823838 /nfs/dbraw/zinc/82/38/38/598823838.db2.gz GXSJBZFPNCGRQW-BXUZGUMPSA-N -1 3 381.458 0.819 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000736037439 598823839 /nfs/dbraw/zinc/82/38/39/598823839.db2.gz GXSJBZFPNCGRQW-BXUZGUMPSA-N -1 3 381.458 0.819 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737737302 598826266 /nfs/dbraw/zinc/82/62/66/598826266.db2.gz BJMZJWUNAGQNHP-UHFFFAOYSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737737302 598826267 /nfs/dbraw/zinc/82/62/67/598826267.db2.gz BJMZJWUNAGQNHP-UHFFFAOYSA-N -1 3 391.819 0.619 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000736881185 598827686 /nfs/dbraw/zinc/82/76/86/598827686.db2.gz ANMJJERDAMAMAK-NWDGAFQWSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000736881185 598827687 /nfs/dbraw/zinc/82/76/87/598827687.db2.gz ANMJJERDAMAMAK-NWDGAFQWSA-N -1 3 394.457 0.174 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735571439 598831275 /nfs/dbraw/zinc/83/12/75/598831275.db2.gz DFJUADBYLKMIMN-BZPMIXESSA-N -1 3 383.474 0.360 20 0 GCADHM Cn1ccnc1CN1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737615761 598832089 /nfs/dbraw/zinc/83/20/89/598832089.db2.gz LFWOCXMGCMRPMZ-UHFFFAOYSA-N -1 3 395.471 0.034 20 0 GCADHM Cn1ccnc1CN1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737615761 598832091 /nfs/dbraw/zinc/83/20/91/598832091.db2.gz LFWOCXMGCMRPMZ-UHFFFAOYSA-N -1 3 395.471 0.034 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(CC(=O)Nc1sccc1-c1nnn[n-]1)C1CC1 ZINC000736041545 598832456 /nfs/dbraw/zinc/83/24/56/598832456.db2.gz XPTXIYAYBVOPJR-VIFPVBQESA-N -1 3 384.487 0.764 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(CC(=O)Nc1sccc1-c1nn[n-]n1)C1CC1 ZINC000736041545 598832458 /nfs/dbraw/zinc/83/24/58/598832458.db2.gz XPTXIYAYBVOPJR-VIFPVBQESA-N -1 3 384.487 0.764 20 0 GCADHM CN(C)C(=O)C1(CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000736746195 598836410 /nfs/dbraw/zinc/83/64/10/598836410.db2.gz LEELHESIFAHYCU-UHFFFAOYSA-N -1 3 378.458 0.794 20 0 GCADHM CN(C)C(=O)C1(CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000736746195 598836411 /nfs/dbraw/zinc/83/64/11/598836411.db2.gz LEELHESIFAHYCU-UHFFFAOYSA-N -1 3 378.458 0.794 20 0 GCADHM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736507159 598836472 /nfs/dbraw/zinc/83/64/72/598836472.db2.gz BADBPMFAWBYRER-NSHDSACASA-N -1 3 387.487 0.701 20 0 GCADHM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736507159 598836474 /nfs/dbraw/zinc/83/64/74/598836474.db2.gz BADBPMFAWBYRER-NSHDSACASA-N -1 3 387.487 0.701 20 0 GCADHM CN(C)C(=O)C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000736746680 598836502 /nfs/dbraw/zinc/83/65/02/598836502.db2.gz NIMDJHLAMSLEGJ-UHFFFAOYSA-N -1 3 378.458 0.794 20 0 GCADHM CN(C)C(=O)C1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000736746680 598836503 /nfs/dbraw/zinc/83/65/03/598836503.db2.gz NIMDJHLAMSLEGJ-UHFFFAOYSA-N -1 3 378.458 0.794 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCN1C(=O)CNC1=O ZINC000735660224 598838613 /nfs/dbraw/zinc/83/86/13/598838613.db2.gz JYARTORUIFUSQT-UHFFFAOYSA-N -1 3 375.393 0.097 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCN1C(=O)CNC1=O ZINC000735660224 598838614 /nfs/dbraw/zinc/83/86/14/598838614.db2.gz JYARTORUIFUSQT-UHFFFAOYSA-N -1 3 375.393 0.097 20 0 GCADHM C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccnc1 ZINC000736156450 598841086 /nfs/dbraw/zinc/84/10/86/598841086.db2.gz WGLOATLAIFMAST-LLVKDONJSA-N -1 3 388.409 0.844 20 0 GCADHM C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000736156450 598841087 /nfs/dbraw/zinc/84/10/87/598841087.db2.gz WGLOATLAIFMAST-LLVKDONJSA-N -1 3 388.409 0.844 20 0 GCADHM C[C@H](OC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccnc1 ZINC000736156453 598841263 /nfs/dbraw/zinc/84/12/63/598841263.db2.gz WGLOATLAIFMAST-NSHDSACASA-N -1 3 388.409 0.844 20 0 GCADHM C[C@H](OC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000736156453 598841265 /nfs/dbraw/zinc/84/12/65/598841265.db2.gz WGLOATLAIFMAST-NSHDSACASA-N -1 3 388.409 0.844 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1cc2c([nH]c1=O)CCC2 ZINC000737890871 598841618 /nfs/dbraw/zinc/84/16/18/598841618.db2.gz ZVQHPJZGQURCNG-UHFFFAOYSA-N -1 3 393.407 0.502 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1cc2c([nH]c1=O)CCC2 ZINC000737890871 598841621 /nfs/dbraw/zinc/84/16/21/598841621.db2.gz ZVQHPJZGQURCNG-UHFFFAOYSA-N -1 3 393.407 0.502 20 0 GCADHM COCCS(=O)(=O)CCCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737014928 598843902 /nfs/dbraw/zinc/84/39/02/598843902.db2.gz SGISCNRNCSWEOA-BQYQJAHWSA-N -1 3 380.426 0.874 20 0 GCADHM COCCS(=O)(=O)CCCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737014928 598843903 /nfs/dbraw/zinc/84/39/03/598843903.db2.gz SGISCNRNCSWEOA-BQYQJAHWSA-N -1 3 380.426 0.874 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCCCN2CCCC2=O)cc1 ZINC000737775889 598844384 /nfs/dbraw/zinc/84/43/84/598844384.db2.gz HPOFNIJZDZJRMS-UHFFFAOYSA-N -1 3 396.411 0.804 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCCCN2CCCC2=O)cc1 ZINC000737775889 598844386 /nfs/dbraw/zinc/84/43/86/598844386.db2.gz HPOFNIJZDZJRMS-UHFFFAOYSA-N -1 3 396.411 0.804 20 0 GCADHM Cn1cnnc1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737619580 598845714 /nfs/dbraw/zinc/84/57/14/598845714.db2.gz WAHXUKKVRVPWPP-UHFFFAOYSA-N -1 3 392.420 0.703 20 0 GCADHM Cn1cnnc1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737619580 598845717 /nfs/dbraw/zinc/84/57/17/598845717.db2.gz WAHXUKKVRVPWPP-UHFFFAOYSA-N -1 3 392.420 0.703 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)C1CC1 ZINC000736787232 598845955 /nfs/dbraw/zinc/84/59/55/598845955.db2.gz IENOXVASESIIMH-UHFFFAOYSA-N -1 3 392.803 0.870 20 0 GCADHM CN(CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)C1CC1 ZINC000736787232 598845957 /nfs/dbraw/zinc/84/59/57/598845957.db2.gz IENOXVASESIIMH-UHFFFAOYSA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)NCCCC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736936692 598846149 /nfs/dbraw/zinc/84/61/49/598846149.db2.gz GSMKFCWQIBQHGF-JTQLQIEISA-N -1 3 376.373 0.873 20 0 GCADHM COC(=O)NCCCC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736936692 598846151 /nfs/dbraw/zinc/84/61/51/598846151.db2.gz GSMKFCWQIBQHGF-JTQLQIEISA-N -1 3 376.373 0.873 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000737201472 598846553 /nfs/dbraw/zinc/84/65/53/598846553.db2.gz FAWAOBWEMRUPHD-UHFFFAOYSA-N -1 3 395.379 0.676 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000737201472 598846555 /nfs/dbraw/zinc/84/65/55/598846555.db2.gz FAWAOBWEMRUPHD-UHFFFAOYSA-N -1 3 395.379 0.676 20 0 GCADHM O=C(COC[C@H]1CCCO1)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737915211 598848500 /nfs/dbraw/zinc/84/85/00/598848500.db2.gz AENDZSGPWPEPPC-CABCVRRESA-N -1 3 387.396 0.711 20 0 GCADHM O=C(COC[C@H]1CCCO1)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737915211 598848501 /nfs/dbraw/zinc/84/85/01/598848501.db2.gz AENDZSGPWPEPPC-CABCVRRESA-N -1 3 387.396 0.711 20 0 GCADHM Cc1oc(NC(=O)COC(=O)COC[C@@H]2CCCO2)c(-c2nnn[n-]2)c1C ZINC000737553500 598849932 /nfs/dbraw/zinc/84/99/32/598849932.db2.gz XAZAMCBGUOWVJU-NSHDSACASA-N -1 3 379.373 0.754 20 0 GCADHM O=Cc1cccc(OCC(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738317875 598850130 /nfs/dbraw/zinc/85/01/30/598850130.db2.gz OKNYQVNJROZUNT-UHFFFAOYSA-N -1 3 395.375 0.918 20 0 GCADHM O=Cc1cccc(OCC(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738317875 598850131 /nfs/dbraw/zinc/85/01/31/598850131.db2.gz OKNYQVNJROZUNT-UHFFFAOYSA-N -1 3 395.375 0.918 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735571565 598851913 /nfs/dbraw/zinc/85/19/13/598851913.db2.gz FSDQPZGYPKVSTK-QWRGUYRKSA-N -1 3 396.477 0.137 20 0 GCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735571565 598851914 /nfs/dbraw/zinc/85/19/14/598851914.db2.gz FSDQPZGYPKVSTK-QWRGUYRKSA-N -1 3 396.477 0.137 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736656938 598852218 /nfs/dbraw/zinc/85/22/18/598852218.db2.gz PPHVOLRQJNHPNI-NSHDSACASA-N -1 3 396.477 0.138 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736656938 598852221 /nfs/dbraw/zinc/85/22/21/598852221.db2.gz PPHVOLRQJNHPNI-NSHDSACASA-N -1 3 396.477 0.138 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736883249 598852934 /nfs/dbraw/zinc/85/29/34/598852934.db2.gz QCVWQHFVAPSNGW-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736883249 598852936 /nfs/dbraw/zinc/85/29/36/598852936.db2.gz QCVWQHFVAPSNGW-GFCCVEGCSA-N -1 3 397.436 0.229 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736655307 598853873 /nfs/dbraw/zinc/85/38/73/598853873.db2.gz BANBVJHLVFHVGJ-VIFPVBQESA-N -1 3 398.420 0.226 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736655307 598853875 /nfs/dbraw/zinc/85/38/75/598853875.db2.gz BANBVJHLVFHVGJ-VIFPVBQESA-N -1 3 398.420 0.226 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000736657765 598854063 /nfs/dbraw/zinc/85/40/63/598854063.db2.gz WRDYUGXEDJEOHL-LLVKDONJSA-N -1 3 394.457 0.395 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000736657765 598854064 /nfs/dbraw/zinc/85/40/64/598854064.db2.gz WRDYUGXEDJEOHL-LLVKDONJSA-N -1 3 394.457 0.395 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736036814 598855297 /nfs/dbraw/zinc/85/52/97/598855297.db2.gz ARXWHKOIKFNMKX-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736036814 598855300 /nfs/dbraw/zinc/85/53/00/598855300.db2.gz ARXWHKOIKFNMKX-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2nccn2C)CC1 ZINC000736899622 598861614 /nfs/dbraw/zinc/86/16/14/598861614.db2.gz CBNWTQSODRKOSP-QGZVFWFLSA-N -1 3 396.455 0.632 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2nccn2C)CC1 ZINC000736899622 598861616 /nfs/dbraw/zinc/86/16/16/598861616.db2.gz CBNWTQSODRKOSP-QGZVFWFLSA-N -1 3 396.455 0.632 20 0 GCADHM CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736706574 598861764 /nfs/dbraw/zinc/86/17/64/598861764.db2.gz UIKLVSBDFTVIOE-CZUORRHYSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nc2n(n1)C[C@H](N[C@@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736706574 598861766 /nfs/dbraw/zinc/86/17/66/598861766.db2.gz UIKLVSBDFTVIOE-CZUORRHYSA-N -1 3 382.428 0.839 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2noc(C)n2)C1 ZINC000736910255 598861808 /nfs/dbraw/zinc/86/18/08/598861808.db2.gz UXRODONCZRTYSB-ZIAGYGMSSA-N -1 3 385.384 0.846 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2noc(C)n2)C1 ZINC000736910255 598861810 /nfs/dbraw/zinc/86/18/10/598861810.db2.gz UXRODONCZRTYSB-ZIAGYGMSSA-N -1 3 385.384 0.846 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NC[C@@H]1CCCO1 ZINC000737826100 598861844 /nfs/dbraw/zinc/86/18/44/598861844.db2.gz PNURELFQCYANRJ-KBPBESRZSA-N -1 3 399.411 0.367 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NC[C@@H]1CCCO1 ZINC000737826100 598861845 /nfs/dbraw/zinc/86/18/45/598861845.db2.gz PNURELFQCYANRJ-KBPBESRZSA-N -1 3 399.411 0.367 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCc2nnc(OC)cc2C1 ZINC000736908351 598862928 /nfs/dbraw/zinc/86/29/28/598862928.db2.gz LIDDATQRALPTGM-MRXNPFEDSA-N -1 3 381.396 0.938 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2nnc(OC)cc2C1 ZINC000736908351 598862930 /nfs/dbraw/zinc/86/29/30/598862930.db2.gz LIDDATQRALPTGM-MRXNPFEDSA-N -1 3 381.396 0.938 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCc2nnc(OC)cc2C1 ZINC000736908348 598862934 /nfs/dbraw/zinc/86/29/34/598862934.db2.gz LIDDATQRALPTGM-INIZCTEOSA-N -1 3 381.396 0.938 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCc2nnc(OC)cc2C1 ZINC000736908348 598862936 /nfs/dbraw/zinc/86/29/36/598862936.db2.gz LIDDATQRALPTGM-INIZCTEOSA-N -1 3 381.396 0.938 20 0 GCADHM C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000736102063 598863056 /nfs/dbraw/zinc/86/30/56/598863056.db2.gz QIQSVDAGWCKETA-QMTHXVAHSA-N -1 3 383.412 0.986 20 0 GCADHM C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000736102063 598863057 /nfs/dbraw/zinc/86/30/57/598863057.db2.gz QIQSVDAGWCKETA-QMTHXVAHSA-N -1 3 383.412 0.986 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736885193 598863652 /nfs/dbraw/zinc/86/36/52/598863652.db2.gz ZJTDGMFGJSPBMA-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736885193 598863653 /nfs/dbraw/zinc/86/36/53/598863653.db2.gz ZJTDGMFGJSPBMA-KGLIPLIRSA-N -1 3 394.457 0.094 20 0 GCADHM C[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736279554 598866671 /nfs/dbraw/zinc/86/66/71/598866671.db2.gz ZAHVORQTCFTGDO-BXUZGUMPSA-N -1 3 383.412 0.940 20 0 GCADHM C[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736279554 598866672 /nfs/dbraw/zinc/86/66/72/598866672.db2.gz ZAHVORQTCFTGDO-BXUZGUMPSA-N -1 3 383.412 0.940 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)Nc1cc[nH]n1 ZINC000737824320 598867816 /nfs/dbraw/zinc/86/78/16/598867816.db2.gz GKABZRVJMPHREP-NSHDSACASA-N -1 3 381.356 0.434 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)Nc1cc[nH]n1 ZINC000737824320 598867818 /nfs/dbraw/zinc/86/78/18/598867818.db2.gz GKABZRVJMPHREP-NSHDSACASA-N -1 3 381.356 0.434 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737760073 598868805 /nfs/dbraw/zinc/86/88/05/598868805.db2.gz OOWXUQHUVFOIKH-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737760073 598868807 /nfs/dbraw/zinc/86/88/07/598868807.db2.gz OOWXUQHUVFOIKH-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736599546 598870619 /nfs/dbraw/zinc/87/06/19/598870619.db2.gz BWOAVRYKEDRTLM-LLVKDONJSA-N -1 3 398.420 0.905 20 0 GCADHM CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736599546 598870622 /nfs/dbraw/zinc/87/06/22/598870622.db2.gz BWOAVRYKEDRTLM-LLVKDONJSA-N -1 3 398.420 0.905 20 0 GCADHM COC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736911212 598870772 /nfs/dbraw/zinc/87/07/72/598870772.db2.gz JLXVOANDNIXEOU-UHFFFAOYSA-N -1 3 383.405 0.970 20 0 GCADHM COC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736911212 598870773 /nfs/dbraw/zinc/87/07/73/598870773.db2.gz JLXVOANDNIXEOU-UHFFFAOYSA-N -1 3 383.405 0.970 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735458449 598872005 /nfs/dbraw/zinc/87/20/05/598872005.db2.gz NMZDDMQBFZNUNQ-UHFFFAOYSA-N -1 3 382.421 0.637 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735458449 598872007 /nfs/dbraw/zinc/87/20/07/598872007.db2.gz NMZDDMQBFZNUNQ-UHFFFAOYSA-N -1 3 382.421 0.637 20 0 GCADHM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000738320956 598872668 /nfs/dbraw/zinc/87/26/68/598872668.db2.gz TUQUURWNBRGJIO-NSHDSACASA-N -1 3 395.420 0.184 20 0 GCADHM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000738320956 598872669 /nfs/dbraw/zinc/87/26/69/598872669.db2.gz TUQUURWNBRGJIO-NSHDSACASA-N -1 3 395.420 0.184 20 0 GCADHM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736507591 598874464 /nfs/dbraw/zinc/87/44/64/598874464.db2.gz GVVSGMZXQLZOSJ-SECBINFHSA-N -1 3 391.450 0.450 20 0 GCADHM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736507591 598874465 /nfs/dbraw/zinc/87/44/65/598874465.db2.gz GVVSGMZXQLZOSJ-SECBINFHSA-N -1 3 391.450 0.450 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736657259 598874559 /nfs/dbraw/zinc/87/45/59/598874559.db2.gz RKCAKUJSWLJALP-VIFPVBQESA-N -1 3 391.450 0.450 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736657259 598874560 /nfs/dbraw/zinc/87/45/60/598874560.db2.gz RKCAKUJSWLJALP-VIFPVBQESA-N -1 3 391.450 0.450 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCCC1 ZINC000735921554 598875258 /nfs/dbraw/zinc/87/52/58/598875258.db2.gz USGOPEUSVQWAEU-AWEZNQCLSA-N -1 3 396.448 0.931 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCCC1 ZINC000735921554 598875259 /nfs/dbraw/zinc/87/52/59/598875259.db2.gz USGOPEUSVQWAEU-AWEZNQCLSA-N -1 3 396.448 0.931 20 0 GCADHM C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CCS1(=O)=O ZINC000736227335 598875421 /nfs/dbraw/zinc/87/54/21/598875421.db2.gz CCPYLPIRLKIZNL-DTWKUNHWSA-N -1 3 389.434 0.202 20 0 GCADHM C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCS1(=O)=O ZINC000736227335 598875422 /nfs/dbraw/zinc/87/54/22/598875422.db2.gz CCPYLPIRLKIZNL-DTWKUNHWSA-N -1 3 389.434 0.202 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736906442 598875888 /nfs/dbraw/zinc/87/58/88/598875888.db2.gz DYLBITDBKXLVTG-AWEZNQCLSA-N -1 3 391.453 0.972 20 0 GCADHM COC(=O)[C@@H]1CC12CCN(S(=O)(=O)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736906442 598875889 /nfs/dbraw/zinc/87/58/89/598875889.db2.gz DYLBITDBKXLVTG-AWEZNQCLSA-N -1 3 391.453 0.972 20 0 GCADHM NC(=O)COc1ccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737752052 598877036 /nfs/dbraw/zinc/87/70/36/598877036.db2.gz DOGFUZJKXUQTBM-UHFFFAOYSA-N -1 3 375.366 0.499 20 0 GCADHM NC(=O)COc1ccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737752052 598877038 /nfs/dbraw/zinc/87/70/38/598877038.db2.gz DOGFUZJKXUQTBM-UHFFFAOYSA-N -1 3 375.366 0.499 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737509029 598877463 /nfs/dbraw/zinc/87/74/63/598877463.db2.gz JVYPEUXIKAMCMB-UHFFFAOYSA-N -1 3 383.368 0.582 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737509029 598877464 /nfs/dbraw/zinc/87/74/64/598877464.db2.gz JVYPEUXIKAMCMB-UHFFFAOYSA-N -1 3 383.368 0.582 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738348524 598877605 /nfs/dbraw/zinc/87/76/05/598877605.db2.gz UXXCSANVYBDAOR-SNVBAGLBSA-N -1 3 381.311 0.958 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@@H](C(F)(F)F)C1 ZINC000738348524 598877607 /nfs/dbraw/zinc/87/76/07/598877607.db2.gz UXXCSANVYBDAOR-SNVBAGLBSA-N -1 3 381.311 0.958 20 0 GCADHM COCCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736988515 598878622 /nfs/dbraw/zinc/87/86/22/598878622.db2.gz SWDGFRRPMHKKNZ-CYBMUJFWSA-N -1 3 388.384 0.651 20 0 GCADHM COCCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736988515 598878624 /nfs/dbraw/zinc/87/86/24/598878624.db2.gz SWDGFRRPMHKKNZ-CYBMUJFWSA-N -1 3 388.384 0.651 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)OCCCCO ZINC000737825184 598878753 /nfs/dbraw/zinc/87/87/53/598878753.db2.gz MABXHJXQNGVCPZ-ZDUSSCGKSA-N -1 3 388.384 0.387 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCCCCO ZINC000737825184 598878755 /nfs/dbraw/zinc/87/87/55/598878755.db2.gz MABXHJXQNGVCPZ-ZDUSSCGKSA-N -1 3 388.384 0.387 20 0 GCADHM NC(=O)COc1ccc(OS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737752553 598877315 /nfs/dbraw/zinc/87/73/15/598877315.db2.gz HMKDRQPPZBEMIS-UHFFFAOYSA-N -1 3 389.393 0.640 20 0 GCADHM NC(=O)COc1ccc(OS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737752553 598877318 /nfs/dbraw/zinc/87/73/18/598877318.db2.gz HMKDRQPPZBEMIS-UHFFFAOYSA-N -1 3 389.393 0.640 20 0 GCADHM CCS(=O)(=O)N(C)CCCN[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000736659260 598881210 /nfs/dbraw/zinc/88/12/10/598881210.db2.gz QXSKWYSUELFTDL-AWEZNQCLSA-N -1 3 396.473 0.342 20 0 GCADHM CCS(=O)(=O)N(C)CCCN[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000736659260 598881211 /nfs/dbraw/zinc/88/12/11/598881211.db2.gz QXSKWYSUELFTDL-AWEZNQCLSA-N -1 3 396.473 0.342 20 0 GCADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCN1CCCS1(=O)=O ZINC000736037034 598885381 /nfs/dbraw/zinc/88/53/81/598885381.db2.gz ITXXLQBUDSNKFH-LBPRGKRZSA-N -1 3 395.441 0.603 20 0 GCADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCN1CCCS1(=O)=O ZINC000736037034 598885382 /nfs/dbraw/zinc/88/53/82/598885382.db2.gz ITXXLQBUDSNKFH-LBPRGKRZSA-N -1 3 395.441 0.603 20 0 GCADHM COC(=O)[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894155 598885539 /nfs/dbraw/zinc/88/55/39/598885539.db2.gz GCHDXUIUNIERCL-CABCVRRESA-N -1 3 396.411 0.209 20 0 GCADHM COC(=O)[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894155 598885541 /nfs/dbraw/zinc/88/55/41/598885541.db2.gz GCHDXUIUNIERCL-CABCVRRESA-N -1 3 396.411 0.209 20 0 GCADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000736038775 598889118 /nfs/dbraw/zinc/88/91/18/598889118.db2.gz XLKOGAWETMPRCH-SMDDNHRTSA-N -1 3 395.441 0.601 20 0 GCADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000736038775 598889119 /nfs/dbraw/zinc/88/91/19/598889119.db2.gz XLKOGAWETMPRCH-SMDDNHRTSA-N -1 3 395.441 0.601 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(-c2nc(Cn3cccn3)no2)cc1 ZINC000737770340 598891569 /nfs/dbraw/zinc/89/15/69/598891569.db2.gz TUYRDANRAAUKTP-UHFFFAOYSA-N -1 3 375.356 0.929 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(-c2nc(Cn3cccn3)no2)cc1 ZINC000737770340 598891571 /nfs/dbraw/zinc/89/15/71/598891571.db2.gz TUYRDANRAAUKTP-UHFFFAOYSA-N -1 3 375.356 0.929 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000737772604 598892105 /nfs/dbraw/zinc/89/21/05/598892105.db2.gz ZZLXCVUISUAMDE-UHFFFAOYSA-N -1 3 390.289 0.933 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738040110 598892813 /nfs/dbraw/zinc/89/28/13/598892813.db2.gz SRFHKXGBTJAXBJ-NSHDSACASA-N -1 3 384.318 0.386 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738040110 598892815 /nfs/dbraw/zinc/89/28/15/598892815.db2.gz SRFHKXGBTJAXBJ-NSHDSACASA-N -1 3 384.318 0.386 20 0 GCADHM COC(=O)[C@@H](OC(=O)C(=O)c1c(C)nn(C)c1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898676 598894805 /nfs/dbraw/zinc/89/48/05/598894805.db2.gz RCGSLGGQEZWKCE-HNNXBMFYSA-N -1 3 398.379 0.857 20 0 GCADHM COC(=O)[C@@H](OC(=O)C(=O)c1c(C)nn(C)c1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898676 598894806 /nfs/dbraw/zinc/89/48/06/598894806.db2.gz RCGSLGGQEZWKCE-HNNXBMFYSA-N -1 3 398.379 0.857 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCc1cnc(N(C)C)n1C ZINC000737022945 598895208 /nfs/dbraw/zinc/89/52/08/598895208.db2.gz GDENCROEKWYJTC-UHFFFAOYSA-N -1 3 386.416 0.370 20 0 GCADHM Cc1nc(CN2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)no1 ZINC000737477179 598898029 /nfs/dbraw/zinc/89/80/29/598898029.db2.gz KRJSUTWFJBRXFO-UHFFFAOYSA-N -1 3 383.416 0.314 20 0 GCADHM Cc1nc(CN2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)no1 ZINC000737477179 598898031 /nfs/dbraw/zinc/89/80/31/598898031.db2.gz KRJSUTWFJBRXFO-UHFFFAOYSA-N -1 3 383.416 0.314 20 0 GCADHM C[C@@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736148879 598903187 /nfs/dbraw/zinc/90/31/87/598903187.db2.gz DWQQHHJNLKGHNI-NDNKKMJESA-N -1 3 399.407 0.979 20 0 GCADHM C[C@@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736148879 598903188 /nfs/dbraw/zinc/90/31/88/598903188.db2.gz DWQQHHJNLKGHNI-NDNKKMJESA-N -1 3 399.407 0.979 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000737288948 598908728 /nfs/dbraw/zinc/90/87/28/598908728.db2.gz NFIXKEYWSQOSBB-NSHDSACASA-N -1 3 384.318 0.903 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000737288948 598908730 /nfs/dbraw/zinc/90/87/30/598908730.db2.gz NFIXKEYWSQOSBB-NSHDSACASA-N -1 3 384.318 0.903 20 0 GCADHM O=C(N[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738024309 598911083 /nfs/dbraw/zinc/91/10/83/598911083.db2.gz KJNJTFSBPNBWHR-UKRRQHHQSA-N -1 3 390.469 0.529 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000737930613 598911088 /nfs/dbraw/zinc/91/10/88/598911088.db2.gz CPSYEBOVSGODLS-CYBMUJFWSA-N -1 3 381.483 0.793 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000737930613 598911090 /nfs/dbraw/zinc/91/10/90/598911090.db2.gz CPSYEBOVSGODLS-CYBMUJFWSA-N -1 3 381.483 0.793 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CCc3n[nH]cc3C2)cc1 ZINC000737778079 598913239 /nfs/dbraw/zinc/91/32/39/598913239.db2.gz WIYGYHQWYFCVBB-LBPRGKRZSA-N -1 3 390.411 0.645 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CCc3n[nH]cc3C2)cc1 ZINC000737778079 598913240 /nfs/dbraw/zinc/91/32/40/598913240.db2.gz WIYGYHQWYFCVBB-LBPRGKRZSA-N -1 3 390.411 0.645 20 0 GCADHM COCCN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)CC(=O)OC ZINC000736989385 598917539 /nfs/dbraw/zinc/91/75/39/598917539.db2.gz AUSHUZDJQGGUBH-UHFFFAOYSA-N -1 3 382.808 0.580 20 0 GCADHM COCCN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)CC(=O)OC ZINC000736989385 598917541 /nfs/dbraw/zinc/91/75/41/598917541.db2.gz AUSHUZDJQGGUBH-UHFFFAOYSA-N -1 3 382.808 0.580 20 0 GCADHM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819981189 599371609 /nfs/dbraw/zinc/37/16/09/599371609.db2.gz PUDVXERNMQPOIH-UHFFFAOYSA-N -1 3 387.487 0.499 20 0 GCADHM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819981189 599371612 /nfs/dbraw/zinc/37/16/12/599371612.db2.gz PUDVXERNMQPOIH-UHFFFAOYSA-N -1 3 387.487 0.499 20 0 GCADHM O=C(NCCOc1cccnc1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738086064 598920617 /nfs/dbraw/zinc/92/06/17/598920617.db2.gz SGQUIOOWPDDSKT-UHFFFAOYSA-N -1 3 395.427 0.567 20 0 GCADHM O=C(NCCOc1cccnc1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738086064 598920619 /nfs/dbraw/zinc/92/06/19/598920619.db2.gz SGQUIOOWPDDSKT-UHFFFAOYSA-N -1 3 395.427 0.567 20 0 GCADHM Cc1nc(NC(=O)[C@H](C)OC[C@H]2CCCO2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737479553 598922274 /nfs/dbraw/zinc/92/22/74/598922274.db2.gz BUJDIKXDRCVOSG-XHDPSFHLSA-N -1 3 398.427 0.700 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1NS(=O)(=O)N1CCCCC1 ZINC000737775630 598924732 /nfs/dbraw/zinc/92/47/32/598924732.db2.gz FJJLCKBRZLZCQR-UHFFFAOYSA-N -1 3 389.445 0.777 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1NS(=O)(=O)N1CCCCC1 ZINC000737775630 598924734 /nfs/dbraw/zinc/92/47/34/598924734.db2.gz FJJLCKBRZLZCQR-UHFFFAOYSA-N -1 3 389.445 0.777 20 0 GCADHM CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736617652 598929422 /nfs/dbraw/zinc/92/94/22/598929422.db2.gz ZSQPDFRUZCFQGU-GFCCVEGCSA-N -1 3 376.417 0.940 20 0 GCADHM CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736617652 598929424 /nfs/dbraw/zinc/92/94/24/598929424.db2.gz ZSQPDFRUZCFQGU-GFCCVEGCSA-N -1 3 376.417 0.940 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccccc1 ZINC000737058773 598924600 /nfs/dbraw/zinc/92/46/00/598924600.db2.gz ODUZFKPSBAQKMH-IBGZPJMESA-N -1 3 396.407 0.838 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccccc1 ZINC000737058773 598924602 /nfs/dbraw/zinc/92/46/02/598924602.db2.gz ODUZFKPSBAQKMH-IBGZPJMESA-N -1 3 396.407 0.838 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000736481592 598930936 /nfs/dbraw/zinc/93/09/36/598930936.db2.gz YBWNNFXMYNTDLN-UHFFFAOYSA-N -1 3 385.428 0.936 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CN1C(=O)NC(=O)C1(C)C ZINC000736481592 598930937 /nfs/dbraw/zinc/93/09/37/598930937.db2.gz YBWNNFXMYNTDLN-UHFFFAOYSA-N -1 3 385.428 0.936 20 0 GCADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)N1CCN(CCn2cncn2)CC1 ZINC000737944253 598931481 /nfs/dbraw/zinc/93/14/81/598931481.db2.gz ZGCWVVYYJYJTBI-UHFFFAOYSA-N -1 3 399.484 0.395 20 0 GCADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)N1CCN(CCn2cncn2)CC1 ZINC000737944253 598931482 /nfs/dbraw/zinc/93/14/82/598931482.db2.gz ZGCWVVYYJYJTBI-UHFFFAOYSA-N -1 3 399.484 0.395 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(c2nncn2C)CC1 ZINC000737297073 598931916 /nfs/dbraw/zinc/93/19/16/598931916.db2.gz SQFIZGPSCVAIEI-UHFFFAOYSA-N -1 3 388.457 0.872 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(c2nncn2C)CC1 ZINC000737297073 598931918 /nfs/dbraw/zinc/93/19/18/598931918.db2.gz SQFIZGPSCVAIEI-UHFFFAOYSA-N -1 3 388.457 0.872 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1C(=O)NC2(CCOCC2)C1=O ZINC000737033367 598939778 /nfs/dbraw/zinc/93/97/78/598939778.db2.gz UMBWIZHLZCPQKV-UHFFFAOYSA-N -1 3 388.384 0.355 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1C(=O)NC2(CCOCC2)C1=O ZINC000737033367 598939781 /nfs/dbraw/zinc/93/97/81/598939781.db2.gz UMBWIZHLZCPQKV-UHFFFAOYSA-N -1 3 388.384 0.355 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCn1cc(S(=O)(=O)N(C)C)cn1 ZINC000737033543 598939895 /nfs/dbraw/zinc/93/98/95/598939895.db2.gz ZRDFDIKORVIFBM-UHFFFAOYSA-N -1 3 393.429 0.401 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCn1cc(S(=O)(=O)N(C)C)cn1 ZINC000737033543 598939897 /nfs/dbraw/zinc/93/98/97/598939897.db2.gz ZRDFDIKORVIFBM-UHFFFAOYSA-N -1 3 393.429 0.401 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736289277 598942577 /nfs/dbraw/zinc/94/25/77/598942577.db2.gz VMFQMPAOVCICKV-OCCSQVGLSA-N -1 3 392.895 0.756 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000736289278 598942658 /nfs/dbraw/zinc/94/26/58/598942658.db2.gz VMFQMPAOVCICKV-TZMCWYRMSA-N -1 3 392.895 0.756 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737160610 598944152 /nfs/dbraw/zinc/94/41/52/598944152.db2.gz AKVZHSIKSAQJMT-TZMCWYRMSA-N -1 3 379.442 0.718 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737160610 598944153 /nfs/dbraw/zinc/94/41/53/598944153.db2.gz AKVZHSIKSAQJMT-TZMCWYRMSA-N -1 3 379.442 0.718 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737162808 598944297 /nfs/dbraw/zinc/94/42/97/598944297.db2.gz RVDRXYKPQPEVHW-JSGCOSHPSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000736165821 598944710 /nfs/dbraw/zinc/94/47/10/598944710.db2.gz WQHZYXAZKSMJRJ-VXGBXAGGSA-N -1 3 379.442 0.527 20 0 GCADHM Cn1c(=O)c(-c2nnn[n-]2)c(NC[C@H]2CCCN2Cc2ccccc2)n(C)c1=O ZINC000737598034 598944973 /nfs/dbraw/zinc/94/49/73/598944973.db2.gz WEMNRYPITCYXRF-CQSZACIVSA-N -1 3 396.455 0.341 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737162315 598953680 /nfs/dbraw/zinc/95/36/80/598953680.db2.gz OZOPEJSDUZULJQ-KBPBESRZSA-N -1 3 378.458 0.751 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000737298542 598950501 /nfs/dbraw/zinc/95/05/01/598950501.db2.gz RBUPHSPOADJHEF-KBPBESRZSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000737298542 598950503 /nfs/dbraw/zinc/95/05/03/598950503.db2.gz RBUPHSPOADJHEF-KBPBESRZSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000737298974 598951639 /nfs/dbraw/zinc/95/16/39/598951639.db2.gz NIHYNYSJQHRLMV-UHFFFAOYSA-N -1 3 379.446 0.163 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000737298974 598951640 /nfs/dbraw/zinc/95/16/40/598951640.db2.gz NIHYNYSJQHRLMV-UHFFFAOYSA-N -1 3 379.446 0.163 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC(=O)NCc1ccccc1 ZINC000737299412 598952252 /nfs/dbraw/zinc/95/22/52/598952252.db2.gz ZAAIDHFXPLNLCC-UHFFFAOYSA-N -1 3 386.437 0.770 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC(=O)NCc1ccccc1 ZINC000737299412 598952253 /nfs/dbraw/zinc/95/22/53/598952253.db2.gz ZAAIDHFXPLNLCC-UHFFFAOYSA-N -1 3 386.437 0.770 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)cc1 ZINC000737777286 598953605 /nfs/dbraw/zinc/95/36/05/598953605.db2.gz SOXSDYYHOOTORR-SWLSCSKDSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2O)cc1 ZINC000737777286 598953607 /nfs/dbraw/zinc/95/36/07/598953607.db2.gz SOXSDYYHOOTORR-SWLSCSKDSA-N -1 3 382.428 0.916 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCNC(=O)OC(C)(C)C ZINC000737298484 598954823 /nfs/dbraw/zinc/95/48/23/598954823.db2.gz PTTFYLVCVZHIHQ-UHFFFAOYSA-N -1 3 382.446 0.978 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCNC(=O)OC(C)(C)C ZINC000737298484 598954825 /nfs/dbraw/zinc/95/48/25/598954825.db2.gz PTTFYLVCVZHIHQ-UHFFFAOYSA-N -1 3 382.446 0.978 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000737297241 598954988 /nfs/dbraw/zinc/95/49/88/598954988.db2.gz FRDSRUVNSOEGBW-UHFFFAOYSA-N -1 3 378.458 0.902 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC(=O)NC1CCCCC1 ZINC000737297241 598954989 /nfs/dbraw/zinc/95/49/89/598954989.db2.gz FRDSRUVNSOEGBW-UHFFFAOYSA-N -1 3 378.458 0.902 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000737296749 598956276 /nfs/dbraw/zinc/95/62/76/598956276.db2.gz OAHRKJGXDGSPGI-ZDUSSCGKSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000737296749 598956278 /nfs/dbraw/zinc/95/62/78/598956278.db2.gz OAHRKJGXDGSPGI-ZDUSSCGKSA-N -1 3 379.442 0.949 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCN1CCOCC1(C)C ZINC000737298848 598956454 /nfs/dbraw/zinc/95/64/54/598956454.db2.gz SGHDGIIZGZACDI-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCN1CCOCC1(C)C ZINC000737298848 598956456 /nfs/dbraw/zinc/95/64/56/598956456.db2.gz SGHDGIIZGZACDI-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000737300043 598956478 /nfs/dbraw/zinc/95/64/78/598956478.db2.gz VDKCEWSGCGYEDF-CHWSQXEVSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000737300043 598956483 /nfs/dbraw/zinc/95/64/83/598956483.db2.gz VDKCEWSGCGYEDF-CHWSQXEVSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCc1cccc(C(N)=O)c1 ZINC000737299440 598956672 /nfs/dbraw/zinc/95/66/72/598956672.db2.gz ZJIWOUBSSLTHHJ-UHFFFAOYSA-N -1 3 386.437 0.795 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCc1cccc(C(N)=O)c1 ZINC000737299440 598956674 /nfs/dbraw/zinc/95/66/74/598956674.db2.gz ZJIWOUBSSLTHHJ-UHFFFAOYSA-N -1 3 386.437 0.795 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736746142 598959686 /nfs/dbraw/zinc/95/96/86/598959686.db2.gz KVRZULPKAYARDL-OLZOCXBDSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736746142 598959689 /nfs/dbraw/zinc/95/96/89/598959689.db2.gz KVRZULPKAYARDL-OLZOCXBDSA-N -1 3 378.458 0.792 20 0 GCADHM CCNC(=O)CN1CCCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000736573529 598961466 /nfs/dbraw/zinc/96/14/66/598961466.db2.gz JPHGQBMMYJPMJV-UHFFFAOYSA-N -1 3 381.444 0.458 20 0 GCADHM Cc1nc2ncnn2c(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1C ZINC000737489390 598961957 /nfs/dbraw/zinc/96/19/57/598961957.db2.gz JRKJOBKZWVIERG-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM Cc1nc2ncnn2c(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1C ZINC000737489390 598961958 /nfs/dbraw/zinc/96/19/58/598961958.db2.gz JRKJOBKZWVIERG-UHFFFAOYSA-N -1 3 377.416 0.643 20 0 GCADHM COCCN(CCC(=O)OC)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736995863 598958031 /nfs/dbraw/zinc/95/80/31/598958031.db2.gz ZIOUUCJOXRVZNP-UHFFFAOYSA-N -1 3 383.430 0.375 20 0 GCADHM COCCN(CCC(=O)OC)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736995863 598958033 /nfs/dbraw/zinc/95/80/33/598958033.db2.gz ZIOUUCJOXRVZNP-UHFFFAOYSA-N -1 3 383.430 0.375 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1=O ZINC000735875037 598967973 /nfs/dbraw/zinc/96/79/73/598967973.db2.gz JNDGLTBZKMPTDG-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1=O ZINC000735875037 598967975 /nfs/dbraw/zinc/96/79/75/598967975.db2.gz JNDGLTBZKMPTDG-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000737289045 598968251 /nfs/dbraw/zinc/96/82/51/598968251.db2.gz NYZVNTDWXDVVRO-KBPBESRZSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000737289045 598968255 /nfs/dbraw/zinc/96/82/55/598968255.db2.gz NYZVNTDWXDVVRO-KBPBESRZSA-N -1 3 399.455 0.877 20 0 GCADHM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000736706641 598971720 /nfs/dbraw/zinc/97/17/20/598971720.db2.gz UVBOKUMRUHOVOX-SECBINFHSA-N -1 3 392.420 0.453 20 0 GCADHM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000736706641 598971722 /nfs/dbraw/zinc/97/17/22/598971722.db2.gz UVBOKUMRUHOVOX-SECBINFHSA-N -1 3 392.420 0.453 20 0 GCADHM COCCN(CCc1cnn(C)c1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736996987 598979388 /nfs/dbraw/zinc/97/93/88/598979388.db2.gz CKBGDQZNCDGYLA-UHFFFAOYSA-N -1 3 391.457 0.480 20 0 GCADHM COCCN(CCc1cnn(C)c1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736996987 598979389 /nfs/dbraw/zinc/97/93/89/598979389.db2.gz CKBGDQZNCDGYLA-UHFFFAOYSA-N -1 3 391.457 0.480 20 0 GCADHM O=C(COc1ccc(C(=O)NCCO)cc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737919687 598979779 /nfs/dbraw/zinc/97/97/79/598979779.db2.gz XDUGTBZLXDENBB-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM O=C(COc1ccc(C(=O)NCCO)cc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737919687 598979780 /nfs/dbraw/zinc/97/97/80/598979780.db2.gz XDUGTBZLXDENBB-UHFFFAOYSA-N -1 3 396.407 0.284 20 0 GCADHM CCS(=O)(=O)N1CCN(CCOc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC000736659496 598983963 /nfs/dbraw/zinc/98/39/63/598983963.db2.gz SJLKZUAMXRHBMV-UHFFFAOYSA-N -1 3 396.473 0.221 20 0 GCADHM CCS(=O)(=O)N1CCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC000736659496 598983964 /nfs/dbraw/zinc/98/39/64/598983964.db2.gz SJLKZUAMXRHBMV-UHFFFAOYSA-N -1 3 396.473 0.221 20 0 GCADHM CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736856620 598986635 /nfs/dbraw/zinc/98/66/35/598986635.db2.gz LDPKOABGZXNRDQ-UHFFFAOYSA-N -1 3 392.423 0.902 20 0 GCADHM CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736856620 598986637 /nfs/dbraw/zinc/98/66/37/598986637.db2.gz LDPKOABGZXNRDQ-UHFFFAOYSA-N -1 3 392.423 0.902 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000736882105 598987260 /nfs/dbraw/zinc/98/72/60/598987260.db2.gz IQAIVLJJOJJXEH-ZDUSSCGKSA-N -1 3 396.473 0.268 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCN(C)C(=O)C1 ZINC000735571432 598988809 /nfs/dbraw/zinc/98/88/09/598988809.db2.gz XDRMSZSEGIQZKU-SECBINFHSA-N -1 3 375.458 0.518 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCN(C)C(=O)C1 ZINC000735571432 598988810 /nfs/dbraw/zinc/98/88/10/598988810.db2.gz XDRMSZSEGIQZKU-SECBINFHSA-N -1 3 375.458 0.518 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000735558656 598991926 /nfs/dbraw/zinc/99/19/26/598991926.db2.gz GFUCBJMFZQXDLN-RYUDHWBXSA-N -1 3 378.458 0.560 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000735558656 598991928 /nfs/dbraw/zinc/99/19/28/598991928.db2.gz GFUCBJMFZQXDLN-RYUDHWBXSA-N -1 3 378.458 0.560 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000735562071 598992148 /nfs/dbraw/zinc/99/21/48/598992148.db2.gz NDTCOVBJMKYIFP-RYUDHWBXSA-N -1 3 378.458 0.560 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000735562071 598992149 /nfs/dbraw/zinc/99/21/49/598992149.db2.gz NDTCOVBJMKYIFP-RYUDHWBXSA-N -1 3 378.458 0.560 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000736901036 598993646 /nfs/dbraw/zinc/99/36/46/598993646.db2.gz HPZJKZKAZLATMR-FZMZJTMJSA-N -1 3 379.442 0.447 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000736901036 598993647 /nfs/dbraw/zinc/99/36/47/598993647.db2.gz HPZJKZKAZLATMR-FZMZJTMJSA-N -1 3 379.442 0.447 20 0 GCADHM CN1CCN(C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2)CC1 ZINC000736862565 599001713 /nfs/dbraw/zinc/00/17/13/599001713.db2.gz DYHNVOPAESJCSD-GOSISDBHSA-N -1 3 392.467 0.980 20 0 GCADHM COC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000736934909 599002029 /nfs/dbraw/zinc/00/20/29/599002029.db2.gz FKHJJOZXADQDJI-GFCCVEGCSA-N -1 3 380.430 0.684 20 0 GCADHM COC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000736934909 599002031 /nfs/dbraw/zinc/00/20/31/599002031.db2.gz FKHJJOZXADQDJI-GFCCVEGCSA-N -1 3 380.430 0.684 20 0 GCADHM CNC(=O)c1cccc(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736881522 599008296 /nfs/dbraw/zinc/00/82/96/599008296.db2.gz IXIZFHPYMIUSHK-UHFFFAOYSA-N -1 3 386.437 0.747 20 0 GCADHM CNC(=O)c1cccc(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736881522 599008297 /nfs/dbraw/zinc/00/82/97/599008297.db2.gz IXIZFHPYMIUSHK-UHFFFAOYSA-N -1 3 386.437 0.747 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCOC[C@H]1CCOC1 ZINC000737298453 599008445 /nfs/dbraw/zinc/00/84/45/599008445.db2.gz PDDUFEXEBVIJGT-CYBMUJFWSA-N -1 3 381.458 0.897 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCOC[C@H]1CCOC1 ZINC000737298453 599008447 /nfs/dbraw/zinc/00/84/47/599008447.db2.gz PDDUFEXEBVIJGT-CYBMUJFWSA-N -1 3 381.458 0.897 20 0 GCADHM O=S(=O)(NCCCOCC1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738340098 599009149 /nfs/dbraw/zinc/00/91/49/599009149.db2.gz WCZDMOXWZBMDDG-UHFFFAOYSA-N -1 3 381.458 0.978 20 0 GCADHM O=S(=O)(NCCCOCC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738340098 599009151 /nfs/dbraw/zinc/00/91/51/599009151.db2.gz WCZDMOXWZBMDDG-UHFFFAOYSA-N -1 3 381.458 0.978 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCC(Nc2cccnn2)CC1 ZINC000738356126 599009402 /nfs/dbraw/zinc/00/94/02/599009402.db2.gz YVBGBGMPCZXKAS-UHFFFAOYSA-N -1 3 386.441 0.922 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCC(Nc2cccnn2)CC1 ZINC000738356126 599009404 /nfs/dbraw/zinc/00/94/04/599009404.db2.gz YVBGBGMPCZXKAS-UHFFFAOYSA-N -1 3 386.441 0.922 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737162999 599010198 /nfs/dbraw/zinc/01/01/98/599010198.db2.gz UEYPNXIZXLTRSR-ZIAGYGMSSA-N -1 3 399.498 0.642 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737162999 599010200 /nfs/dbraw/zinc/01/02/00/599010200.db2.gz UEYPNXIZXLTRSR-ZIAGYGMSSA-N -1 3 399.498 0.642 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737161867 599010451 /nfs/dbraw/zinc/01/04/51/599010451.db2.gz MZSGLYVPWCJIIZ-MJBXVCDLSA-N -1 3 378.458 0.339 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000737224199 599010526 /nfs/dbraw/zinc/01/05/26/599010526.db2.gz ORBFYYUZNDLQKD-CHWSQXEVSA-N -1 3 399.498 0.809 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000737224199 599010528 /nfs/dbraw/zinc/01/05/28/599010528.db2.gz ORBFYYUZNDLQKD-CHWSQXEVSA-N -1 3 399.498 0.809 20 0 GCADHM NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743008 599011937 /nfs/dbraw/zinc/01/19/37/599011937.db2.gz SBFPOEJEGRFPFZ-NSHDSACASA-N -1 3 383.397 0.751 20 0 GCADHM NC(=O)[C@@H](Sc1nnc(-c2ccco2)n1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743008 599011939 /nfs/dbraw/zinc/01/19/39/599011939.db2.gz SBFPOEJEGRFPFZ-NSHDSACASA-N -1 3 383.397 0.751 20 0 GCADHM NC(=O)[C@H](Sc1nnc(-c2ccco2)n1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743007 599012083 /nfs/dbraw/zinc/01/20/83/599012083.db2.gz SBFPOEJEGRFPFZ-LLVKDONJSA-N -1 3 383.397 0.751 20 0 GCADHM NC(=O)[C@H](Sc1nnc(-c2ccco2)n1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743007 599012085 /nfs/dbraw/zinc/01/20/85/599012085.db2.gz SBFPOEJEGRFPFZ-LLVKDONJSA-N -1 3 383.397 0.751 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737640 599013369 /nfs/dbraw/zinc/01/33/69/599013369.db2.gz BPHSJBNRHPWVQX-RYUDHWBXSA-N -1 3 387.429 0.351 20 0 GCADHM NC(=O)[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737640 599013371 /nfs/dbraw/zinc/01/33/71/599013371.db2.gz BPHSJBNRHPWVQX-RYUDHWBXSA-N -1 3 387.429 0.351 20 0 GCADHM Cc1oc(NC(=O)COC(=O)[C@H](O)C2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000737551580 599017036 /nfs/dbraw/zinc/01/70/36/599017036.db2.gz JGIIBORXNKJTEV-CYBMUJFWSA-N -1 3 379.373 0.346 20 0 GCADHM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738075340 599022995 /nfs/dbraw/zinc/02/29/95/599022995.db2.gz NFPWAKUKXMQRKQ-UHFFFAOYSA-N -1 3 396.430 0.953 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000736637233 599025629 /nfs/dbraw/zinc/02/56/29/599025629.db2.gz UJZGPLRZNVHBSS-WDEREUQCSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000736637233 599025630 /nfs/dbraw/zinc/02/56/30/599025630.db2.gz UJZGPLRZNVHBSS-WDEREUQCSA-N -1 3 376.417 0.727 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCOC[C@@H]1CCOC1 ZINC000737288489 599025669 /nfs/dbraw/zinc/02/56/69/599025669.db2.gz KKHLZLQPHQJEJK-ZDUSSCGKSA-N -1 3 388.428 0.673 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCOC[C@@H]1CCOC1 ZINC000737288489 599025670 /nfs/dbraw/zinc/02/56/70/599025670.db2.gz KKHLZLQPHQJEJK-ZDUSSCGKSA-N -1 3 388.428 0.673 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735622921 599033582 /nfs/dbraw/zinc/03/35/82/599033582.db2.gz BIJDSQXFGKMVNJ-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735622921 599033585 /nfs/dbraw/zinc/03/35/85/599033585.db2.gz BIJDSQXFGKMVNJ-UHFFFAOYSA-N -1 3 380.792 0.917 20 0 GCADHM O=C(NC1=NCC(=O)N1)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000738305789 599033772 /nfs/dbraw/zinc/03/37/72/599033772.db2.gz BQEWZNLECWKQQQ-UHFFFAOYSA-N -1 3 377.364 0.661 20 0 GCADHM O=C(NC1=NCC(=O)N1)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000738305789 599033774 /nfs/dbraw/zinc/03/37/74/599033774.db2.gz BQEWZNLECWKQQQ-UHFFFAOYSA-N -1 3 377.364 0.661 20 0 GCADHM CC(C)NC(=O)CN1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000735884044 599038006 /nfs/dbraw/zinc/03/80/06/599038006.db2.gz GQNSXGJPEGCUSO-UHFFFAOYSA-N -1 3 398.393 0.927 20 0 GCADHM CC(C)NC(=O)CN1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000735884044 599038008 /nfs/dbraw/zinc/03/80/08/599038008.db2.gz GQNSXGJPEGCUSO-UHFFFAOYSA-N -1 3 398.393 0.927 20 0 GCADHM CNC(=O)CN1CCC(Nc2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000736872871 599043801 /nfs/dbraw/zinc/04/38/01/599043801.db2.gz BXUOMZOXYBANQL-UHFFFAOYSA-N -1 3 384.366 0.903 20 0 GCADHM CNC(=O)CN1CCC(Nc2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000736872871 599043803 /nfs/dbraw/zinc/04/38/03/599043803.db2.gz BXUOMZOXYBANQL-UHFFFAOYSA-N -1 3 384.366 0.903 20 0 GCADHM Cn1cc(S(=O)(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737610862 599047318 /nfs/dbraw/zinc/04/73/18/599047318.db2.gz RNGHSFXJGCBQNH-UHFFFAOYSA-N -1 3 388.457 0.865 20 0 GCADHM COC(=O)c1nc2nc(C)cc(NCCOc3ccc(-c4nn[n-]n4)cc3)n2n1 ZINC000821671356 599048086 /nfs/dbraw/zinc/04/80/86/599048086.db2.gz SLBMWJKORSFQDI-UHFFFAOYSA-N -1 3 395.383 0.890 20 0 GCADHM CCOC(=O)[C@@H]1CN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CCO1 ZINC000736595866 599048937 /nfs/dbraw/zinc/04/89/37/599048937.db2.gz XWQYAJUROIIRCT-NSHDSACASA-N -1 3 380.430 0.521 20 0 GCADHM CCOC(=O)[C@@H]1CN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CCO1 ZINC000736595866 599048940 /nfs/dbraw/zinc/04/89/40/599048940.db2.gz XWQYAJUROIIRCT-NSHDSACASA-N -1 3 380.430 0.521 20 0 GCADHM CCO[C@@H]1C[C@H](O)C12CCN([C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736612336 599049115 /nfs/dbraw/zinc/04/91/15/599049115.db2.gz NZOWSBYKEYWRDY-XHSDSOJGSA-N -1 3 386.456 0.645 20 0 GCADHM CCOC(=O)[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000736595023 599049368 /nfs/dbraw/zinc/04/93/68/599049368.db2.gz UOVZIOLSKUZZEH-NSHDSACASA-N -1 3 378.389 0.279 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)[C@@H]2CCO[C@H]21 ZINC000736204308 599054107 /nfs/dbraw/zinc/05/41/07/599054107.db2.gz DSBXERQBGWDNCT-NUEKZKHPSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)[C@@H]2CCO[C@H]21 ZINC000736204308 599054110 /nfs/dbraw/zinc/05/41/10/599054110.db2.gz DSBXERQBGWDNCT-NUEKZKHPSA-N -1 3 398.471 0.907 20 0 GCADHM FC(F)(F)c1ccc(-c2nnn[n-]2)c(N2CCO[C@H](Cn3cncn3)C2)n1 ZINC000737631500 599054274 /nfs/dbraw/zinc/05/42/74/599054274.db2.gz FFEYQYKIZSSDLI-VIFPVBQESA-N -1 3 381.322 0.777 20 0 GCADHM FC(F)(F)c1ccc(-c2nn[n-]n2)c(N2CCO[C@H](Cn3cncn3)C2)n1 ZINC000737631500 599054276 /nfs/dbraw/zinc/05/42/76/599054276.db2.gz FFEYQYKIZSSDLI-VIFPVBQESA-N -1 3 381.322 0.777 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cnn(CC(F)F)c1 ZINC000737890188 599055115 /nfs/dbraw/zinc/05/51/15/599055115.db2.gz VTDHNCZQVBHZMT-UHFFFAOYSA-N -1 3 376.327 0.697 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cnn(CC(F)F)c1 ZINC000737890188 599055117 /nfs/dbraw/zinc/05/51/17/599055117.db2.gz VTDHNCZQVBHZMT-UHFFFAOYSA-N -1 3 376.327 0.697 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000737775941 599055668 /nfs/dbraw/zinc/05/56/68/599055668.db2.gz INUJSIWRGPNOFW-SNVBAGLBSA-N -1 3 396.367 0.110 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736966350 599058521 /nfs/dbraw/zinc/05/85/21/599058521.db2.gz MXUACQLTLQDKML-HNNXBMFYSA-N -1 3 390.400 0.136 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736966350 599058524 /nfs/dbraw/zinc/05/85/24/599058524.db2.gz MXUACQLTLQDKML-HNNXBMFYSA-N -1 3 390.400 0.136 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000737740655 599069080 /nfs/dbraw/zinc/06/90/80/599069080.db2.gz VAOGYTQGCMZCMZ-HNNXBMFYSA-N -1 3 384.444 0.227 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000737740655 599069083 /nfs/dbraw/zinc/06/90/83/599069083.db2.gz VAOGYTQGCMZCMZ-HNNXBMFYSA-N -1 3 384.444 0.227 20 0 GCADHM CC(C)COC(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735839276 599070042 /nfs/dbraw/zinc/07/00/42/599070042.db2.gz OCTFXPMMZNXQLN-OAHLLOKOSA-N -1 3 387.444 0.803 20 0 GCADHM CC(C)COC(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735839276 599070045 /nfs/dbraw/zinc/07/00/45/599070045.db2.gz OCTFXPMMZNXQLN-OAHLLOKOSA-N -1 3 387.444 0.803 20 0 GCADHM COc1ccnc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737160106 599070589 /nfs/dbraw/zinc/07/05/89/599070589.db2.gz RZBBAEXSACVNCF-OAHLLOKOSA-N -1 3 395.427 0.014 20 0 GCADHM COc1ccnc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737160106 599070592 /nfs/dbraw/zinc/07/05/92/599070592.db2.gz RZBBAEXSACVNCF-OAHLLOKOSA-N -1 3 395.427 0.014 20 0 GCADHM CC(C)C(=O)NC[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735685188 599072096 /nfs/dbraw/zinc/07/20/96/599072096.db2.gz RCDWPPSKYPLUPB-XJKSGUPXSA-N -1 3 385.472 0.877 20 0 GCADHM Cc1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)nnn1C ZINC000737206505 599075591 /nfs/dbraw/zinc/07/55/91/599075591.db2.gz ISAJYZFFYWVNIG-GFCCVEGCSA-N -1 3 399.440 0.457 20 0 GCADHM Cc1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)nnn1C ZINC000737206505 599075595 /nfs/dbraw/zinc/07/55/95/599075595.db2.gz ISAJYZFFYWVNIG-GFCCVEGCSA-N -1 3 399.440 0.457 20 0 GCADHM Cc1noc([C@@H](C)N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737534520 599075944 /nfs/dbraw/zinc/07/59/44/599075944.db2.gz PATKUMGDESNZNE-ABAIWWIYSA-N -1 3 397.443 0.463 20 0 GCADHM Cc1noc([C@@H](C)N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737534520 599075947 /nfs/dbraw/zinc/07/59/47/599075947.db2.gz PATKUMGDESNZNE-ABAIWWIYSA-N -1 3 397.443 0.463 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000737746076 599078856 /nfs/dbraw/zinc/07/88/56/599078856.db2.gz ZPQSQWKOJGFXIH-RDJZCZTQSA-N -1 3 383.456 0.870 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000737746076 599078859 /nfs/dbraw/zinc/07/88/59/599078859.db2.gz ZPQSQWKOJGFXIH-RDJZCZTQSA-N -1 3 383.456 0.870 20 0 GCADHM O=C(CN1CCC[C@@H](OCCO)C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737875684 599078884 /nfs/dbraw/zinc/07/88/84/599078884.db2.gz LITDMHUUYKRJSO-GFCCVEGCSA-N -1 3 380.836 0.932 20 0 GCADHM O=C(CN1CCC[C@@H](OCCO)C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737875684 599078886 /nfs/dbraw/zinc/07/88/86/599078886.db2.gz LITDMHUUYKRJSO-GFCCVEGCSA-N -1 3 380.836 0.932 20 0 GCADHM O=S(=O)(NCCOC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738338890 599084079 /nfs/dbraw/zinc/08/40/79/599084079.db2.gz OEROVBPXDDWDGL-SNVBAGLBSA-N -1 3 387.849 0.994 20 0 GCADHM O=S(=O)(NCCOC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738338890 599084082 /nfs/dbraw/zinc/08/40/82/599084082.db2.gz OEROVBPXDDWDGL-SNVBAGLBSA-N -1 3 387.849 0.994 20 0 GCADHM NC(=O)[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737731376 599087521 /nfs/dbraw/zinc/08/75/21/599087521.db2.gz RJPQQBJWFWXPAH-OAHLLOKOSA-N -1 3 387.350 0.900 20 0 GCADHM NC(=O)[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737731376 599087523 /nfs/dbraw/zinc/08/75/23/599087523.db2.gz RJPQQBJWFWXPAH-OAHLLOKOSA-N -1 3 387.350 0.900 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737609070 599087958 /nfs/dbraw/zinc/08/79/58/599087958.db2.gz AWABPHNEACQFHX-HNNXBMFYSA-N -1 3 396.411 0.291 20 0 GCADHM CS(=O)(=O)Nc1cccc(N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737169215 599089416 /nfs/dbraw/zinc/08/94/16/599089416.db2.gz PYGIXCDSQZMFMC-AWEZNQCLSA-N -1 3 387.425 0.877 20 0 GCADHM CS(=O)(=O)Nc1cccc(N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737169215 599089419 /nfs/dbraw/zinc/08/94/19/599089419.db2.gz PYGIXCDSQZMFMC-AWEZNQCLSA-N -1 3 387.425 0.877 20 0 GCADHM COCCOc1ccc(CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737015451 599091451 /nfs/dbraw/zinc/09/14/51/599091451.db2.gz POPHQHIHBAALML-MRXNPFEDSA-N -1 3 383.412 0.603 20 0 GCADHM COCCOc1ccc(CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737015451 599091455 /nfs/dbraw/zinc/09/14/55/599091455.db2.gz POPHQHIHBAALML-MRXNPFEDSA-N -1 3 383.412 0.603 20 0 GCADHM CN(C)C(=O)c1cccc(CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736754572 599091927 /nfs/dbraw/zinc/09/19/27/599091927.db2.gz YWWBVBHQCWUGMB-MRXNPFEDSA-N -1 3 379.424 0.885 20 0 GCADHM CN(C)C(=O)c1cccc(CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736754572 599091928 /nfs/dbraw/zinc/09/19/28/599091928.db2.gz YWWBVBHQCWUGMB-MRXNPFEDSA-N -1 3 379.424 0.885 20 0 GCADHM NC(=O)[C@H](NCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737495 599095014 /nfs/dbraw/zinc/09/50/14/599095014.db2.gz RTSPLNFBPOQLRP-OAHLLOKOSA-N -1 3 391.391 0.279 20 0 GCADHM Cn1c2ccc(N[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cc2n(C)c1=O ZINC000737591576 599095973 /nfs/dbraw/zinc/09/59/73/599095973.db2.gz VFPBVTJMJZMLQL-OAHLLOKOSA-N -1 3 378.396 0.696 20 0 GCADHM Cn1c2ccc(N[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cc2n(C)c1=O ZINC000737591576 599095975 /nfs/dbraw/zinc/09/59/75/599095975.db2.gz VFPBVTJMJZMLQL-OAHLLOKOSA-N -1 3 378.396 0.696 20 0 GCADHM NC(=O)[C@@H](NCCNC(=O)Cc1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736706 599096445 /nfs/dbraw/zinc/09/64/45/599096445.db2.gz LENCFODUZVCPBJ-KRWDZBQOSA-N -1 3 397.414 0.481 20 0 GCADHM CN(CCc1ccccn1)C(=O)CN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736807591 599097353 /nfs/dbraw/zinc/09/73/53/599097353.db2.gz VSVHESFBEKJTBX-KRWDZBQOSA-N -1 3 394.439 0.079 20 0 GCADHM CN(CCc1ccccn1)C(=O)CN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736807591 599097356 /nfs/dbraw/zinc/09/73/56/599097356.db2.gz VSVHESFBEKJTBX-KRWDZBQOSA-N -1 3 394.439 0.079 20 0 GCADHM CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000736841655 599098534 /nfs/dbraw/zinc/09/85/34/599098534.db2.gz HBIWRBQGBWMGPL-UHFFFAOYSA-N -1 3 394.438 0.339 20 0 GCADHM CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000736841655 599098535 /nfs/dbraw/zinc/09/85/35/599098535.db2.gz HBIWRBQGBWMGPL-UHFFFAOYSA-N -1 3 394.438 0.339 20 0 GCADHM NC(=O)[C@H](NCCn1c2ccccc2oc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735966 599098597 /nfs/dbraw/zinc/09/85/97/599098597.db2.gz FQMODORPIWQWFB-OAHLLOKOSA-N -1 3 379.380 0.591 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCc2nn(C)c(=O)cc2C1 ZINC000819876988 599101541 /nfs/dbraw/zinc/10/15/41/599101541.db2.gz LYCTXROZCXDSON-LLVKDONJSA-N -1 3 380.412 0.346 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCc2nn(C)c(=O)cc2C1 ZINC000819876988 599101544 /nfs/dbraw/zinc/10/15/44/599101544.db2.gz LYCTXROZCXDSON-LLVKDONJSA-N -1 3 380.412 0.346 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)CC2 ZINC000821568505 599102956 /nfs/dbraw/zinc/10/29/56/599102956.db2.gz XDJUMPZPRGNQGE-LBPRGKRZSA-N -1 3 394.439 0.829 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000821568505 599102957 /nfs/dbraw/zinc/10/29/57/599102957.db2.gz XDJUMPZPRGNQGE-LBPRGKRZSA-N -1 3 394.439 0.829 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CCC[C@@H](O)C1 ZINC000737928855 599103611 /nfs/dbraw/zinc/10/36/11/599103611.db2.gz IUYDCBCYKBIYCN-DZGCQCFKSA-N -1 3 393.469 0.449 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCCOC[C@@H]1CCCO1 ZINC000738079212 599104846 /nfs/dbraw/zinc/10/48/46/599104846.db2.gz XNXMVWASGVQZCR-ZDUSSCGKSA-N -1 3 376.421 0.168 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCCOC[C@@H]1CCCO1 ZINC000738079212 599104847 /nfs/dbraw/zinc/10/48/47/599104847.db2.gz XNXMVWASGVQZCR-ZDUSSCGKSA-N -1 3 376.421 0.168 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2)cn1 ZINC000737609905 599107062 /nfs/dbraw/zinc/10/70/62/599107062.db2.gz LJTOIARHSXHSAT-OAHLLOKOSA-N -1 3 381.444 0.797 20 0 GCADHM CCN(C(=O)CSc1ccccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000736505884 599109933 /nfs/dbraw/zinc/10/99/33/599109933.db2.gz UFYWAZNULGIBHF-NSHDSACASA-N -1 3 381.483 0.994 20 0 GCADHM CCN(C(=O)CSc1ccccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000736505884 599109936 /nfs/dbraw/zinc/10/99/36/599109936.db2.gz UFYWAZNULGIBHF-NSHDSACASA-N -1 3 381.483 0.994 20 0 GCADHM CCN(C(=O)CSc1ccccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000736505882 599110342 /nfs/dbraw/zinc/11/03/42/599110342.db2.gz UFYWAZNULGIBHF-LLVKDONJSA-N -1 3 381.483 0.994 20 0 GCADHM CCN(C(=O)CSc1ccccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000736505882 599110346 /nfs/dbraw/zinc/11/03/46/599110346.db2.gz UFYWAZNULGIBHF-LLVKDONJSA-N -1 3 381.483 0.994 20 0 GCADHM CC(=O)NCc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735481639 599112701 /nfs/dbraw/zinc/11/27/01/599112701.db2.gz JKVZQZJYKIMWQL-INIZCTEOSA-N -1 3 394.391 0.886 20 0 GCADHM CC(=O)NCc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735481639 599112704 /nfs/dbraw/zinc/11/27/04/599112704.db2.gz JKVZQZJYKIMWQL-INIZCTEOSA-N -1 3 394.391 0.886 20 0 GCADHM C[S@@](=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737172414 599113106 /nfs/dbraw/zinc/11/31/06/599113106.db2.gz UGISIINMMVAVJW-PGGUUEOZSA-N -1 3 385.405 0.988 20 0 GCADHM C[S@@](=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737172414 599113109 /nfs/dbraw/zinc/11/31/09/599113109.db2.gz UGISIINMMVAVJW-PGGUUEOZSA-N -1 3 385.405 0.988 20 0 GCADHM Cc1ccccc1C(=O)NCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737415356 599113275 /nfs/dbraw/zinc/11/32/75/599113275.db2.gz OJQDJWPWFWVKFD-MRXNPFEDSA-N -1 3 394.391 0.675 20 0 GCADHM Cc1ccccc1C(=O)NCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737415356 599113278 /nfs/dbraw/zinc/11/32/78/599113278.db2.gz OJQDJWPWFWVKFD-MRXNPFEDSA-N -1 3 394.391 0.675 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)C1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737734833 599113414 /nfs/dbraw/zinc/11/34/14/599113414.db2.gz BZGZLUUGFQXSCH-OAHLLOKOSA-N -1 3 386.412 0.633 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)C1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737734833 599113416 /nfs/dbraw/zinc/11/34/16/599113416.db2.gz BZGZLUUGFQXSCH-OAHLLOKOSA-N -1 3 386.412 0.633 20 0 GCADHM Cc1csc(=O)n1CCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737457011 599113619 /nfs/dbraw/zinc/11/36/19/599113619.db2.gz NAHTTXVGWYEGIH-CYBMUJFWSA-N -1 3 388.409 0.558 20 0 GCADHM Cc1csc(=O)n1CCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737457011 599113622 /nfs/dbraw/zinc/11/36/22/599113622.db2.gz NAHTTXVGWYEGIH-CYBMUJFWSA-N -1 3 388.409 0.558 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1cccc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737734828 599113681 /nfs/dbraw/zinc/11/36/81/599113681.db2.gz BYGHPJGERBQFNP-HNNXBMFYSA-N -1 3 398.354 0.505 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1cccc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737734828 599113683 /nfs/dbraw/zinc/11/36/83/599113683.db2.gz BYGHPJGERBQFNP-HNNXBMFYSA-N -1 3 398.354 0.505 20 0 GCADHM CC(C)CN1C[C@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000735831431 599117890 /nfs/dbraw/zinc/11/78/90/599117890.db2.gz RNKLCMURVJVHCN-HIFRSBDPSA-N -1 3 386.412 0.441 20 0 GCADHM CC(C)CN1C[C@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735831431 599117893 /nfs/dbraw/zinc/11/78/93/599117893.db2.gz RNKLCMURVJVHCN-HIFRSBDPSA-N -1 3 386.412 0.441 20 0 GCADHM CC(C)CN1C[C@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000735831432 599118324 /nfs/dbraw/zinc/11/83/24/599118324.db2.gz RNKLCMURVJVHCN-UKRRQHHQSA-N -1 3 386.412 0.441 20 0 GCADHM CC(C)CN1C[C@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735831432 599118326 /nfs/dbraw/zinc/11/83/26/599118326.db2.gz RNKLCMURVJVHCN-UKRRQHHQSA-N -1 3 386.412 0.441 20 0 GCADHM NC(=O)[C@H](OC(=O)c1n[nH]c(=O)c2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737599 599119092 /nfs/dbraw/zinc/11/90/92/599119092.db2.gz ATBMDHGPNGEIPY-CQSZACIVSA-N -1 3 391.347 0.899 20 0 GCADHM NC(=O)[C@H](OC(=O)c1n[nH]c(=O)c2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737599 599119094 /nfs/dbraw/zinc/11/90/94/599119094.db2.gz ATBMDHGPNGEIPY-CQSZACIVSA-N -1 3 391.347 0.899 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2cncn2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738724 599119734 /nfs/dbraw/zinc/11/97/34/599119734.db2.gz HSAYWJONBFYTOC-CQSZACIVSA-N -1 3 391.351 0.226 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc(-n2cncn2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738724 599119736 /nfs/dbraw/zinc/11/97/36/599119736.db2.gz HSAYWJONBFYTOC-CQSZACIVSA-N -1 3 391.351 0.226 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2cncn2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738721 599119929 /nfs/dbraw/zinc/11/99/29/599119929.db2.gz HSAYWJONBFYTOC-AWEZNQCLSA-N -1 3 391.351 0.226 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2cncn2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738721 599119931 /nfs/dbraw/zinc/11/99/31/599119931.db2.gz HSAYWJONBFYTOC-AWEZNQCLSA-N -1 3 391.351 0.226 20 0 GCADHM CC(C)CS(=O)(=O)CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735851141 599119936 /nfs/dbraw/zinc/11/99/36/599119936.db2.gz YCIYBCWNMZXPIV-CYBMUJFWSA-N -1 3 381.414 0.007 20 0 GCADHM CC(C)CS(=O)(=O)CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735851141 599119939 /nfs/dbraw/zinc/11/99/39/599119939.db2.gz YCIYBCWNMZXPIV-CYBMUJFWSA-N -1 3 381.414 0.007 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(NCCO)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737742982 599121156 /nfs/dbraw/zinc/12/11/56/599121156.db2.gz RXMZTHCFNFBGPJ-HNNXBMFYSA-N -1 3 382.380 0.654 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(NCCO)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737742982 599121157 /nfs/dbraw/zinc/12/11/57/599121157.db2.gz RXMZTHCFNFBGPJ-HNNXBMFYSA-N -1 3 382.380 0.654 20 0 GCADHM NC(=O)[C@@H](OC(=O)CN1CCCCCCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737735474 599121162 /nfs/dbraw/zinc/12/11/62/599121162.db2.gz FJBXQDRDCYSODN-INIZCTEOSA-N -1 3 386.412 0.729 20 0 GCADHM NC(=O)[C@@H](OC(=O)CN1CCCCCCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735474 599121163 /nfs/dbraw/zinc/12/11/63/599121163.db2.gz FJBXQDRDCYSODN-INIZCTEOSA-N -1 3 386.412 0.729 20 0 GCADHM NC(=O)[C@H](OC(=O)CCOC[C@H]1CCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737353 599121225 /nfs/dbraw/zinc/12/12/25/599121225.db2.gz QIXONLKUOJJUQC-UKRRQHHQSA-N -1 3 375.385 0.522 20 0 GCADHM NC(=O)[C@H](OC(=O)CCOC[C@H]1CCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737353 599121226 /nfs/dbraw/zinc/12/12/26/599121226.db2.gz QIXONLKUOJJUQC-UKRRQHHQSA-N -1 3 375.385 0.522 20 0 GCADHM C[C@@H](Sc1ncccn1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193881 599122196 /nfs/dbraw/zinc/12/21/96/599122196.db2.gz VIMHJIWUHIKKCQ-BXKDBHETSA-N -1 3 385.409 0.907 20 0 GCADHM C[C@@H](Sc1ncccn1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193881 599122197 /nfs/dbraw/zinc/12/21/97/599122197.db2.gz VIMHJIWUHIKKCQ-BXKDBHETSA-N -1 3 385.409 0.907 20 0 GCADHM CC(C)(C)n1cc(C(=O)C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000735661056 599122464 /nfs/dbraw/zinc/12/24/64/599122464.db2.gz HQRHGPPPCKAVJY-CQSZACIVSA-N -1 3 397.395 0.771 20 0 GCADHM CC(C)(C)n1cc(C(=O)C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000735661056 599122467 /nfs/dbraw/zinc/12/24/67/599122467.db2.gz HQRHGPPPCKAVJY-CQSZACIVSA-N -1 3 397.395 0.771 20 0 GCADHM Cc1occc1C(=O)NCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737556722 599123250 /nfs/dbraw/zinc/12/32/50/599123250.db2.gz NLKQRXQMZGVSGE-AWEZNQCLSA-N -1 3 384.352 0.268 20 0 GCADHM Cc1occc1C(=O)NCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737556722 599123252 /nfs/dbraw/zinc/12/32/52/599123252.db2.gz NLKQRXQMZGVSGE-AWEZNQCLSA-N -1 3 384.352 0.268 20 0 GCADHM CN(CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000736786773 599127218 /nfs/dbraw/zinc/12/72/18/599127218.db2.gz DHRZBBZNXLAOFR-CYBMUJFWSA-N -1 3 390.400 0.803 20 0 GCADHM CN(CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736786773 599127222 /nfs/dbraw/zinc/12/72/22/599127222.db2.gz DHRZBBZNXLAOFR-CYBMUJFWSA-N -1 3 390.400 0.803 20 0 GCADHM CC(C)(C)OC(=O)NCc1nnnn1CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819940201 607258719 /nfs/dbraw/zinc/25/87/19/607258719.db2.gz SCLOGMNBFDGVRG-UHFFFAOYSA-N -1 3 385.388 0.761 20 0 GCADHM CC(C)(C)OC(=O)NCc1nnnn1CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819940201 607258720 /nfs/dbraw/zinc/25/87/20/607258720.db2.gz SCLOGMNBFDGVRG-UHFFFAOYSA-N -1 3 385.388 0.761 20 0 GCADHM Cn1c(CO)nnc1SCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822596778 607258987 /nfs/dbraw/zinc/25/89/87/607258987.db2.gz RZCRMFFTJKLGJN-UHFFFAOYSA-N -1 3 380.821 0.872 20 0 GCADHM Cn1c(CO)nnc1SCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822596778 607258988 /nfs/dbraw/zinc/25/89/88/607258988.db2.gz RZCRMFFTJKLGJN-UHFFFAOYSA-N -1 3 380.821 0.872 20 0 GCADHM COCCc1nnc(SCC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1N ZINC000821694718 599133045 /nfs/dbraw/zinc/13/30/45/599133045.db2.gz ZMVVDHZUPVXNOD-UHFFFAOYSA-N -1 3 375.418 0.092 20 0 GCADHM COCCc1nnc(SCC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1N ZINC000821694718 599133046 /nfs/dbraw/zinc/13/30/46/599133046.db2.gz ZMVVDHZUPVXNOD-UHFFFAOYSA-N -1 3 375.418 0.092 20 0 GCADHM O=C(CC1CCC1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822940905 599135510 /nfs/dbraw/zinc/13/55/10/599135510.db2.gz JFURYZZYKWQDBI-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM O=C(CC1CCC1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822940905 599135512 /nfs/dbraw/zinc/13/55/12/599135512.db2.gz JFURYZZYKWQDBI-UHFFFAOYSA-N -1 3 390.469 0.890 20 0 GCADHM O=C([C@@H]1CCc2c[nH]nc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822918130 599135582 /nfs/dbraw/zinc/13/55/82/599135582.db2.gz ZPYLHSXOYWPLIH-GFCCVEGCSA-N -1 3 379.428 0.439 20 0 GCADHM O=C([C@@H]1CCc2c[nH]nc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822918130 599135583 /nfs/dbraw/zinc/13/55/83/599135583.db2.gz ZPYLHSXOYWPLIH-GFCCVEGCSA-N -1 3 379.428 0.439 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@@H](CO)c1cccc(F)c1 ZINC000738077994 599149077 /nfs/dbraw/zinc/14/90/77/599149077.db2.gz KWMVHCWCNIVDQO-AWEZNQCLSA-N -1 3 386.391 0.846 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@@H](CO)c1cccc(F)c1 ZINC000738077994 599149081 /nfs/dbraw/zinc/14/90/81/599149081.db2.gz KWMVHCWCNIVDQO-AWEZNQCLSA-N -1 3 386.391 0.846 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738081602 599150806 /nfs/dbraw/zinc/15/08/06/599150806.db2.gz FDJKEINFZIHECP-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738081602 599150809 /nfs/dbraw/zinc/15/08/09/599150809.db2.gz FDJKEINFZIHECP-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCc2c[nH]nc2C1 ZINC000823154498 599151825 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NC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822873674 599164877 /nfs/dbraw/zinc/16/48/77/599164877.db2.gz GDWAPDXZBJIYIO-OAHLLOKOSA-N -1 3 383.387 0.902 20 0 GCADHM NS(=O)(=O)Cc1cccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822894826 599167031 /nfs/dbraw/zinc/16/70/31/599167031.db2.gz HNZSOKFMRMXDGN-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM NS(=O)(=O)Cc1cccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822894826 599167032 /nfs/dbraw/zinc/16/70/32/599167032.db2.gz HNZSOKFMRMXDGN-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM O=c1onc(-c2cnccn2)n1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000738381301 599168651 /nfs/dbraw/zinc/16/86/51/599168651.db2.gz KKUBYJBTOBYRLX-UHFFFAOYSA-N -1 3 390.323 0.572 20 0 GCADHM O=c1onc(-c2cnccn2)n1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000738381301 599168652 /nfs/dbraw/zinc/16/86/52/599168652.db2.gz KKUBYJBTOBYRLX-UHFFFAOYSA-N -1 3 390.323 0.572 20 0 GCADHM CCN1CCO[C@@H](CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736567801 599169202 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20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@H](CO)c1ccc(F)cc1 ZINC000738077197 599192184 /nfs/dbraw/zinc/19/21/84/599192184.db2.gz BUUNZXSDBQUWQZ-CQSZACIVSA-N -1 3 386.391 0.846 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@H](CO)c1ccc(F)cc1 ZINC000738077197 599192188 /nfs/dbraw/zinc/19/21/88/599192188.db2.gz BUUNZXSDBQUWQZ-CQSZACIVSA-N -1 3 386.391 0.846 20 0 GCADHM CC(C)CN(C(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817615 599193436 /nfs/dbraw/zinc/19/34/36/599193436.db2.gz DBBXXPZJKIKJEJ-UHFFFAOYSA-N -1 3 383.412 0.567 20 0 GCADHM CC(C)CN(C(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817615 599193439 /nfs/dbraw/zinc/19/34/39/599193439.db2.gz DBBXXPZJKIKJEJ-UHFFFAOYSA-N -1 3 383.412 0.567 20 0 GCADHM Cn1cc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)c(=O)n(C)c1=O ZINC000737606074 599195756 /nfs/dbraw/zinc/19/57/56/599195756.db2.gz QMAYHUKEJKDLPA-UHFFFAOYSA-N -1 3 387.425 0.457 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC(C)(C)CCS(C)(=O)=O ZINC000820541586 599199210 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WCICWPCOZIDVLN-MWLCHTKSSA-N -1 3 397.461 0.027 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820656824 599211513 /nfs/dbraw/zinc/21/15/13/599211513.db2.gz HNGJJZVSGIQJKI-IAQYHMDHSA-N -1 3 396.411 0.289 20 0 GCADHM CC(C)(C)[S@](=O)CCNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735643275 599212167 /nfs/dbraw/zinc/21/21/67/599212167.db2.gz MBCDKRSZJDFSIV-AREMUKBSSA-N -1 3 380.478 0.520 20 0 GCADHM CC(C)(C)[S@](=O)CCNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735643275 599212169 /nfs/dbraw/zinc/21/21/69/599212169.db2.gz MBCDKRSZJDFSIV-AREMUKBSSA-N -1 3 380.478 0.520 20 0 GCADHM CC(C)(C)[S@](=O)CCNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735643035 599213650 /nfs/dbraw/zinc/21/36/50/599213650.db2.gz KJURMHIWSJTWBM-AREMUKBSSA-N -1 3 380.478 0.520 20 0 GCADHM CC(C)(C)[S@](=O)CCNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735643035 599213652 /nfs/dbraw/zinc/21/36/52/599213652.db2.gz KJURMHIWSJTWBM-AREMUKBSSA-N -1 3 380.478 0.520 20 0 GCADHM C[C@@]12CCC(=O)N1[C@H](C(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)CS2 ZINC000736228138 599214027 /nfs/dbraw/zinc/21/40/27/599214027.db2.gz GJJAPQZHWORCOI-SUMWQHHRSA-N -1 3 388.453 0.816 20 0 GCADHM C[S@](=O)CCNC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737174980 599215302 /nfs/dbraw/zinc/21/53/02/599215302.db2.gz YZMYOIQKINCHQW-SANMLTNESA-N -1 3 381.437 0.216 20 0 GCADHM C[S@](=O)CCNC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737174980 599215305 /nfs/dbraw/zinc/21/53/05/599215305.db2.gz YZMYOIQKINCHQW-SANMLTNESA-N -1 3 381.437 0.216 20 0 GCADHM COC(=O)CN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000821661599 599215566 /nfs/dbraw/zinc/21/55/66/599215566.db2.gz PTDFLJOYIJMFJB-UHFFFAOYSA-N -1 3 375.385 0.426 20 0 GCADHM COC(=O)CN(C(=O)COc1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000821661288 599216078 /nfs/dbraw/zinc/21/60/78/599216078.db2.gz ATBNTTOJBMMCHW-UHFFFAOYSA-N -1 3 375.385 0.426 20 0 GCADHM COC(=O)CN(C(=O)COc1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000821661288 599216081 /nfs/dbraw/zinc/21/60/81/599216081.db2.gz ATBNTTOJBMMCHW-UHFFFAOYSA-N -1 3 375.385 0.426 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCCn1ccccc1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736926 599217315 /nfs/dbraw/zinc/21/73/15/599217315.db2.gz NCKZVGWZWVIWGP-INIZCTEOSA-N -1 3 382.380 0.578 20 0 GCADHM NC(=O)[C@@H](OC(=O)CCCn1ccccc1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736926 599217318 /nfs/dbraw/zinc/21/73/18/599217318.db2.gz NCKZVGWZWVIWGP-INIZCTEOSA-N -1 3 382.380 0.578 20 0 GCADHM Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737552829 599217921 /nfs/dbraw/zinc/21/79/21/599217921.db2.gz QZUZRVROAZFLIO-UHFFFAOYSA-N -1 3 395.379 0.824 20 0 GCADHM NC(=O)COc1ccccc1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737752385 599219474 /nfs/dbraw/zinc/21/94/74/599219474.db2.gz FXDASZIQGXTMTE-UHFFFAOYSA-N -1 3 382.380 0.540 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736396693 599220859 /nfs/dbraw/zinc/22/08/59/599220859.db2.gz NPJUTOFFWMDEEG-KRWDZBQOSA-N -1 3 387.400 0.082 20 0 GCADHM COCC(=O)N[C@H](C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736966452 599220995 /nfs/dbraw/zinc/22/09/95/599220995.db2.gz QDIXJMKLODUPKX-HNNXBMFYSA-N -1 3 376.417 0.149 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000820438434 607259692 /nfs/dbraw/zinc/25/96/92/607259692.db2.gz PIMUKUMJXCBHRN-TVQRCGJNSA-N -1 3 386.865 0.518 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000820438434 607259693 /nfs/dbraw/zinc/25/96/93/607259693.db2.gz PIMUKUMJXCBHRN-TVQRCGJNSA-N -1 3 386.865 0.518 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000532685960 596902833 /nfs/dbraw/zinc/90/28/33/596902833.db2.gz BETFGJYTSYVFTK-UHFFFAOYSA-N -1 3 397.497 0.950 20 0 GCADHM Cn1cc(S(=O)(=O)[N-]CCOc2ccc(-c3nn[nH]n3)cc2)nc1Cl ZINC000822685200 607259896 /nfs/dbraw/zinc/25/98/96/607259896.db2.gz UYQDXXLEWGWUIS-UHFFFAOYSA-N -1 3 383.821 0.611 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccc(Br)o1 ZINC000318195232 596909101 /nfs/dbraw/zinc/90/91/01/596909101.db2.gz AZAFHXRXQPYBQN-UHFFFAOYSA-N -1 3 376.207 0.247 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821688303 607261186 /nfs/dbraw/zinc/26/11/86/607261186.db2.gz GGOKJPNEMGETLX-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM COCCCS(=O)(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821688303 607261187 /nfs/dbraw/zinc/26/11/87/607261187.db2.gz GGOKJPNEMGETLX-UHFFFAOYSA-N -1 3 398.464 0.490 20 0 GCADHM Fc1ccc(-c2nn[n-]n2)cc1CNC(=S)NCCCN1CCOCC1 ZINC000822761251 599229785 /nfs/dbraw/zinc/22/97/85/599229785.db2.gz DXUHLYNICSKODY-UHFFFAOYSA-N -1 3 379.465 0.692 20 0 GCADHM COCCN1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C[C@@H]1C ZINC000737004944 599229874 /nfs/dbraw/zinc/22/98/74/599229874.db2.gz PXKFHVSVIXXVBK-ZDUSSCGKSA-N -1 3 390.444 0.433 20 0 GCADHM CN1CCO[C@@H]2CN([C@@H]3CCN(c4sccc4-c4nnn[n-]4)C3=O)C[C@H]21 ZINC000821628121 607265503 /nfs/dbraw/zinc/26/55/03/607265503.db2.gz AIZKILDEIHPEKC-JHJVBQTASA-N -1 3 375.458 0.048 20 0 GCADHM CN1CCO[C@@H]2CN([C@@H]3CCN(c4sccc4-c4nn[n-]n4)C3=O)C[C@H]21 ZINC000821628121 607265504 /nfs/dbraw/zinc/26/55/04/607265504.db2.gz AIZKILDEIHPEKC-JHJVBQTASA-N -1 3 375.458 0.048 20 0 GCADHM COCCCS(=O)(=O)NCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000821688195 607264862 /nfs/dbraw/zinc/26/48/62/607264862.db2.gz BNJFOFCXVGBXAD-UHFFFAOYSA-N -1 3 387.393 0.005 20 0 GCADHM CNc1nc(N2CC[C@@H](C(=O)[O-])C2)nc(N2CC[C@H](C(=O)OC(C)(C)C)C2)n1 ZINC000818500646 596981406 /nfs/dbraw/zinc/98/14/06/596981406.db2.gz WEOSVKKYQFPHTR-NEPJUHHUSA-N -1 3 392.460 0.414 20 0 GCADHM CNc1nc(N2CC[C@@H](C(=O)[O-])C2)nc(N2CC[C@@H](C(=O)OC(C)(C)C)C2)n1 ZINC000818500649 596981513 /nfs/dbraw/zinc/98/15/13/596981513.db2.gz WEOSVKKYQFPHTR-VXGBXAGGSA-N -1 3 392.460 0.414 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000533188351 596983468 /nfs/dbraw/zinc/98/34/68/596983468.db2.gz LBFAGQRXYWVEFT-CQSZACIVSA-N -1 3 391.424 0.286 20 0 GCADHM CN1CCO[C@@H]2CN([C@H]3CCN(c4sccc4-c4nnn[n-]4)C3=O)C[C@@H]21 ZINC000821628122 607265383 /nfs/dbraw/zinc/26/53/83/607265383.db2.gz AIZKILDEIHPEKC-RWMBFGLXSA-N -1 3 375.458 0.048 20 0 GCADHM CN1CCO[C@@H]2CN([C@H]3CCN(c4sccc4-c4nn[n-]n4)C3=O)C[C@@H]21 ZINC000821628122 607265384 /nfs/dbraw/zinc/26/53/84/607265384.db2.gz AIZKILDEIHPEKC-RWMBFGLXSA-N -1 3 375.458 0.048 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000737611831 599234585 /nfs/dbraw/zinc/23/45/85/599234585.db2.gz ILESQOHVJBZLOE-OAHLLOKOSA-N -1 3 394.439 0.845 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737611831 599234587 /nfs/dbraw/zinc/23/45/87/599234587.db2.gz ILESQOHVJBZLOE-OAHLLOKOSA-N -1 3 394.439 0.845 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)n1 ZINC000737610893 599234851 /nfs/dbraw/zinc/23/48/51/599234851.db2.gz AFJQJOAIFVDFRR-CYBMUJFWSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)n1 ZINC000737610893 599234853 /nfs/dbraw/zinc/23/48/53/599234853.db2.gz AFJQJOAIFVDFRR-CYBMUJFWSA-N -1 3 396.411 0.291 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000737614393 599234956 /nfs/dbraw/zinc/23/49/56/599234956.db2.gz WVTPMWKZDBIYGR-CQSZACIVSA-N -1 3 380.412 0.455 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737614393 599234959 /nfs/dbraw/zinc/23/49/59/599234959.db2.gz WVTPMWKZDBIYGR-CQSZACIVSA-N -1 3 380.412 0.455 20 0 GCADHM CCN1CCN([C@H](C)CNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000739452934 597013913 /nfs/dbraw/zinc/01/39/13/597013913.db2.gz BSNBPKPYXVYLKI-CRAIPNDOSA-N -1 3 387.484 0.848 20 0 GCADHM Cc1cc(CS(=O)(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)no1 ZINC000737265387 599236143 /nfs/dbraw/zinc/23/61/43/599236143.db2.gz VCIIMPPUVKASES-UHFFFAOYSA-N -1 3 389.441 0.815 20 0 GCADHM Cc1cc(CS(=O)(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)no1 ZINC000737265387 599236145 /nfs/dbraw/zinc/23/61/45/599236145.db2.gz VCIIMPPUVKASES-UHFFFAOYSA-N -1 3 389.441 0.815 20 0 GCADHM Cc1cc(CS(=O)(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)no1 ZINC000737263568 599236185 /nfs/dbraw/zinc/23/61/85/599236185.db2.gz LPOOLPXDXCLGRI-UHFFFAOYSA-N -1 3 390.429 0.210 20 0 GCADHM Cc1cc(CS(=O)(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)no1 ZINC000737263568 599236187 /nfs/dbraw/zinc/23/61/87/599236187.db2.gz LPOOLPXDXCLGRI-UHFFFAOYSA-N -1 3 390.429 0.210 20 0 GCADHM C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CN(C)CCO1 ZINC000820335183 607265903 /nfs/dbraw/zinc/26/59/03/607265903.db2.gz VGSLMLTVUMSUJQ-WFASDCNBSA-N -1 3 376.486 0.935 20 0 GCADHM C[C@@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CN(C)CCO1 ZINC000820335181 607266192 /nfs/dbraw/zinc/26/61/92/607266192.db2.gz VGSLMLTVUMSUJQ-IUODEOHRSA-N -1 3 376.486 0.935 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000736624385 599237433 /nfs/dbraw/zinc/23/74/33/599237433.db2.gz WLOXUMCBLNLMBL-CYBMUJFWSA-N -1 3 380.474 0.598 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000736624385 599237435 /nfs/dbraw/zinc/23/74/35/599237435.db2.gz WLOXUMCBLNLMBL-CYBMUJFWSA-N -1 3 380.474 0.598 20 0 GCADHM Cc1cc(-n2cncn2)ccc1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737226084 599239566 /nfs/dbraw/zinc/23/95/66/599239566.db2.gz ODDGAUZMHCGFIZ-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM Cc1cc(-n2cncn2)ccc1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737226084 599239567 /nfs/dbraw/zinc/23/95/67/599239567.db2.gz ODDGAUZMHCGFIZ-UHFFFAOYSA-N -1 3 390.411 0.993 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)C(=O)NCc1ccc(F)cc1 ZINC000738077912 599240484 /nfs/dbraw/zinc/24/04/84/599240484.db2.gz JJABUAHGUTXXFS-UHFFFAOYSA-N -1 3 384.375 0.245 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)C(=O)NCc1ccc(F)cc1 ZINC000738077912 599240486 /nfs/dbraw/zinc/24/04/86/599240486.db2.gz JJABUAHGUTXXFS-UHFFFAOYSA-N -1 3 384.375 0.245 20 0 GCADHM C[C@@H](OC(=O)COC1CCOCC1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736155128 599241001 /nfs/dbraw/zinc/24/10/01/599241001.db2.gz IGHIRASCSCEMRL-LLVKDONJSA-N -1 3 375.385 0.933 20 0 GCADHM C[C@@H](OC(=O)COC1CCOCC1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736155128 599241003 /nfs/dbraw/zinc/24/10/03/599241003.db2.gz IGHIRASCSCEMRL-LLVKDONJSA-N -1 3 375.385 0.933 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)cccc1-c1nn[n-]n1 ZINC000822046040 607275392 /nfs/dbraw/zinc/27/53/92/607275392.db2.gz WQPUACUBBVGOGL-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM COCCN1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC000737005698 599244293 /nfs/dbraw/zinc/24/42/93/599244293.db2.gz SWSKLUNUQMBSOB-ZDUSSCGKSA-N -1 3 389.464 0.036 20 0 GCADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)CC2 ZINC000822464024 607275634 /nfs/dbraw/zinc/27/56/34/607275634.db2.gz YIVWBGDQPGFTAR-LLVKDONJSA-N -1 3 381.400 0.145 20 0 GCADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)CC2 ZINC000822464024 607275635 /nfs/dbraw/zinc/27/56/35/607275635.db2.gz YIVWBGDQPGFTAR-LLVKDONJSA-N -1 3 381.400 0.145 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000821863681 607275947 /nfs/dbraw/zinc/27/59/47/607275947.db2.gz MTJWIYFXBGICOP-MRXNPFEDSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000821863681 607275948 /nfs/dbraw/zinc/27/59/48/607275948.db2.gz MTJWIYFXBGICOP-MRXNPFEDSA-N -1 3 396.407 0.972 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821442414 607276019 /nfs/dbraw/zinc/27/60/19/607276019.db2.gz RUNKXCOTQSHQRT-SNVBAGLBSA-N -1 3 394.457 0.395 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821442414 607276020 /nfs/dbraw/zinc/27/60/20/607276020.db2.gz RUNKXCOTQSHQRT-SNVBAGLBSA-N -1 3 394.457 0.395 20 0 GCADHM COCCN1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C[C@@H]1C ZINC000737002957 599244478 /nfs/dbraw/zinc/24/44/78/599244478.db2.gz DQFNTJHUYTXVKL-ZDUSSCGKSA-N -1 3 389.464 0.036 20 0 GCADHM COCCN1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C[C@@H]1C ZINC000737002957 599244481 /nfs/dbraw/zinc/24/44/81/599244481.db2.gz DQFNTJHUYTXVKL-ZDUSSCGKSA-N -1 3 389.464 0.036 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C1CCC2(CC1)NC(=O)NC2=O ZINC000738315440 599244593 /nfs/dbraw/zinc/24/45/93/599244593.db2.gz ITWMBFUSYGXEEL-UHFFFAOYSA-N -1 3 399.411 0.130 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)cccc1-c1nnn[n-]1 ZINC000822045378 607276132 /nfs/dbraw/zinc/27/61/32/607276132.db2.gz QDYSHKMCOAKPNV-QWHCGFSZSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)cccc1-c1nn[n-]n1 ZINC000822045378 607276133 /nfs/dbraw/zinc/27/61/33/607276133.db2.gz QDYSHKMCOAKPNV-QWHCGFSZSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)cccc1-c1nnn[n-]1 ZINC000822046142 607276340 /nfs/dbraw/zinc/27/63/40/607276340.db2.gz YWPSAVZSDASHJT-ZDUSSCGKSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)cccc1-c1nn[n-]n1 ZINC000822046142 607276341 /nfs/dbraw/zinc/27/63/41/607276341.db2.gz YWPSAVZSDASHJT-ZDUSSCGKSA-N -1 3 397.439 0.727 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822044760 607276831 /nfs/dbraw/zinc/27/68/31/607276831.db2.gz MTEANNHVHARBRA-LLVKDONJSA-N -1 3 384.318 0.903 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822044760 607276832 /nfs/dbraw/zinc/27/68/32/607276832.db2.gz MTEANNHVHARBRA-LLVKDONJSA-N -1 3 384.318 0.903 20 0 GCADHM C[C@H](CNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)S(C)(=O)=O ZINC000824419601 607837217 /nfs/dbraw/zinc/83/72/17/607837217.db2.gz AELLBEHPMQHVHI-LLVKDONJSA-N -1 3 378.458 0.974 20 0 GCADHM C[C@H](CNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)S(C)(=O)=O ZINC000824419601 607837218 /nfs/dbraw/zinc/83/72/18/607837218.db2.gz AELLBEHPMQHVHI-LLVKDONJSA-N -1 3 378.458 0.974 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cccc1-c1nnn[n-]1 ZINC000822044249 607277798 /nfs/dbraw/zinc/27/77/98/607277798.db2.gz KCADHOMANGHIEX-GFCCVEGCSA-N -1 3 381.400 0.569 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)cccc1-c1nn[n-]n1 ZINC000822044249 607277799 /nfs/dbraw/zinc/27/77/99/607277799.db2.gz KCADHOMANGHIEX-GFCCVEGCSA-N -1 3 381.400 0.569 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)CC2 ZINC000821509928 607277939 /nfs/dbraw/zinc/27/79/39/607277939.db2.gz PVOGZFATWXNOSQ-NSHDSACASA-N -1 3 395.427 0.399 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)CC2 ZINC000821509928 607277940 /nfs/dbraw/zinc/27/79/40/607277940.db2.gz PVOGZFATWXNOSQ-NSHDSACASA-N -1 3 395.427 0.399 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000738087739 599246065 /nfs/dbraw/zinc/24/60/65/599246065.db2.gz ADTQNTZTSLRCHG-UHFFFAOYSA-N -1 3 378.348 0.559 20 0 GCADHM CCN(CC)C(=O)CCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821175644 607272748 /nfs/dbraw/zinc/27/27/48/607272748.db2.gz QWTDKWCPJOOAJV-UHFFFAOYSA-N -1 3 387.444 0.878 20 0 GCADHM CCN(CC)C(=O)CCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821175644 607272749 /nfs/dbraw/zinc/27/27/49/607272749.db2.gz QWTDKWCPJOOAJV-UHFFFAOYSA-N -1 3 387.444 0.878 20 0 GCADHM CCOC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821325735 607272775 /nfs/dbraw/zinc/27/27/75/607272775.db2.gz LDPRVYDCIOBIJZ-UHFFFAOYSA-N -1 3 386.412 0.915 20 0 GCADHM CCOC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821325735 607272776 /nfs/dbraw/zinc/27/27/76/607272776.db2.gz LDPRVYDCIOBIJZ-UHFFFAOYSA-N -1 3 386.412 0.915 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(c3ccccn3)CC2)cccc1-c1nnn[n-]1 ZINC000822042976 607273024 /nfs/dbraw/zinc/27/30/24/607273024.db2.gz ADCPYJHZUJXFGS-UHFFFAOYSA-N -1 3 392.423 0.857 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(c3ccccn3)CC2)cccc1-c1nn[n-]n1 ZINC000822042976 607273025 /nfs/dbraw/zinc/27/30/25/607273025.db2.gz ADCPYJHZUJXFGS-UHFFFAOYSA-N -1 3 392.423 0.857 20 0 GCADHM CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000820909356 607278533 /nfs/dbraw/zinc/27/85/33/607278533.db2.gz UXRAQNHAYCHVKT-ZDUSSCGKSA-N -1 3 387.444 0.029 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(C(=O)N(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000822045933 607273812 /nfs/dbraw/zinc/27/38/12/607273812.db2.gz VJYIADUMGNEZMC-UHFFFAOYSA-N -1 3 385.428 0.440 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(C(=O)N(C)C)CC2)cccc1-c1nn[n-]n1 ZINC000822045933 607273813 /nfs/dbraw/zinc/27/38/13/607273813.db2.gz VJYIADUMGNEZMC-UHFFFAOYSA-N -1 3 385.428 0.440 20 0 GCADHM Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000822242649 607274271 /nfs/dbraw/zinc/27/42/71/607274271.db2.gz SHMXHMJBONQADS-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000822242649 607274272 /nfs/dbraw/zinc/27/42/72/607274272.db2.gz SHMXHMJBONQADS-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000822046040 607275391 /nfs/dbraw/zinc/27/53/91/607275391.db2.gz WQPUACUBBVGOGL-UHFFFAOYSA-N -1 3 399.455 0.831 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(OCCCO)CC2)cccc1-c1nnn[n-]1 ZINC000822043002 607278797 /nfs/dbraw/zinc/27/87/97/607278797.db2.gz APHBGEMVHNEOCD-UHFFFAOYSA-N -1 3 388.428 0.504 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCC(OCCCO)CC2)cccc1-c1nn[n-]n1 ZINC000822043002 607278798 /nfs/dbraw/zinc/27/87/98/607278798.db2.gz APHBGEMVHNEOCD-UHFFFAOYSA-N -1 3 388.428 0.504 20 0 GCADHM Cc1sc2ncn(CC(=O)Nc3ccncc3-c3nnn[n-]3)c(=O)c2c1C ZINC000737564601 599250481 /nfs/dbraw/zinc/25/04/81/599250481.db2.gz RMGGCQQRGHVENX-UHFFFAOYSA-N -1 3 382.409 0.711 20 0 GCADHM Cc1sc2ncn(CC(=O)Nc3ccncc3-c3nn[n-]n3)c(=O)c2c1C ZINC000737564601 599250482 /nfs/dbraw/zinc/25/04/82/599250482.db2.gz RMGGCQQRGHVENX-UHFFFAOYSA-N -1 3 382.409 0.711 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821170431 607279520 /nfs/dbraw/zinc/27/95/20/607279520.db2.gz QNQATLLIFXDORU-HNNXBMFYSA-N -1 3 399.455 0.973 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821170431 607279521 /nfs/dbraw/zinc/27/95/21/607279521.db2.gz QNQATLLIFXDORU-HNNXBMFYSA-N -1 3 399.455 0.973 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)cccc1-c1nnn[n-]1 ZINC000822043366 607279858 /nfs/dbraw/zinc/27/98/58/607279858.db2.gz CZSFMLHHGUMNAR-LLVKDONJSA-N -1 3 395.427 0.919 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCCC3)cccc1-c1nn[n-]n1 ZINC000822043366 607279859 /nfs/dbraw/zinc/27/98/59/607279859.db2.gz CZSFMLHHGUMNAR-LLVKDONJSA-N -1 3 395.427 0.919 20 0 GCADHM Cc1c(NC(=O)N2CCN(c3nc(N)ns3)CC2)cccc1-c1nnn[n-]1 ZINC000822084551 607280560 /nfs/dbraw/zinc/28/05/60/607280560.db2.gz MQJHEZNYZPWKCV-UHFFFAOYSA-N -1 3 386.445 0.963 20 0 GCADHM Cc1c(NC(=O)N2CCN(c3nc(N)ns3)CC2)cccc1-c1nn[n-]n1 ZINC000822084551 607280561 /nfs/dbraw/zinc/28/05/61/607280561.db2.gz MQJHEZNYZPWKCV-UHFFFAOYSA-N -1 3 386.445 0.963 20 0 GCADHM COc1ccc([C@@H](CC(=O)Nc2ccncc2-c2nnn[n-]2)NC(C)=O)cc1 ZINC000737075339 599252814 /nfs/dbraw/zinc/25/28/14/599252814.db2.gz MRKBBHMHWUFYBW-MRXNPFEDSA-N -1 3 381.396 0.898 20 0 GCADHM COc1ccc([C@@H](CC(=O)Nc2ccncc2-c2nn[n-]n2)NC(C)=O)cc1 ZINC000737075339 599252816 /nfs/dbraw/zinc/25/28/16/599252816.db2.gz MRKBBHMHWUFYBW-MRXNPFEDSA-N -1 3 381.396 0.898 20 0 GCADHM CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccncc2-c2nnn[n-]2)c1 ZINC000736664126 599253557 /nfs/dbraw/zinc/25/35/57/599253557.db2.gz LPCIFGYJRDKKKY-UHFFFAOYSA-N -1 3 376.373 0.869 20 0 GCADHM CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccncc2-c2nn[n-]n2)c1 ZINC000736664126 599253558 /nfs/dbraw/zinc/25/35/58/599253558.db2.gz LPCIFGYJRDKKKY-UHFFFAOYSA-N -1 3 376.373 0.869 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821442424 607288672 /nfs/dbraw/zinc/28/86/72/607288672.db2.gz SBEMEXCAOZHXAD-UHFFFAOYSA-N -1 3 381.462 0.968 20 0 GCADHM CCS(=O)(=O)N(C)CCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821442424 607288673 /nfs/dbraw/zinc/28/86/73/607288673.db2.gz SBEMEXCAOZHXAD-UHFFFAOYSA-N -1 3 381.462 0.968 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000738196461 599255260 /nfs/dbraw/zinc/25/52/60/599255260.db2.gz YGJWOBFPBSPPEJ-UHFFFAOYSA-N -1 3 378.327 0.621 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000738196461 599255262 /nfs/dbraw/zinc/25/52/62/599255262.db2.gz YGJWOBFPBSPPEJ-UHFFFAOYSA-N -1 3 378.327 0.621 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1)C(=O)[O-] ZINC000818022197 597322839 /nfs/dbraw/zinc/32/28/39/597322839.db2.gz FDGNNLABDSTYLR-HIFRSBDPSA-N -1 3 385.424 0.858 20 0 GCADHM Cc1cc(C)n(CCCNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)n1 ZINC000737255711 599255512 /nfs/dbraw/zinc/25/55/12/599255512.db2.gz DGZDPTFCYFDQLB-UHFFFAOYSA-N -1 3 376.446 0.830 20 0 GCADHM Cc1cc(C)n(CCCNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)n1 ZINC000737255711 599255514 /nfs/dbraw/zinc/25/55/14/599255514.db2.gz DGZDPTFCYFDQLB-UHFFFAOYSA-N -1 3 376.446 0.830 20 0 GCADHM Cc1c(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cccc1-c1nnn[n-]1 ZINC000822083454 607284693 /nfs/dbraw/zinc/28/46/93/607284693.db2.gz BDFVGKVBFUHXKX-LBPRGKRZSA-N -1 3 393.473 0.968 20 0 GCADHM Cc1c(NC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cccc1-c1nn[n-]n1 ZINC000822083454 607284694 /nfs/dbraw/zinc/28/46/94/607284694.db2.gz BDFVGKVBFUHXKX-LBPRGKRZSA-N -1 3 393.473 0.968 20 0 GCADHM Cc1c(NC(=O)N2CCN(CC(=O)NC(C)C)CC2)cccc1-c1nnn[n-]1 ZINC000822083545 607284745 /nfs/dbraw/zinc/28/47/45/607284745.db2.gz CCDRKGZIKVZELO-UHFFFAOYSA-N -1 3 386.460 0.849 20 0 GCADHM Cc1c(NC(=O)N2CCN(CC(=O)NC(C)C)CC2)cccc1-c1nn[n-]n1 ZINC000822083545 607284746 /nfs/dbraw/zinc/28/47/46/607284746.db2.gz CCDRKGZIKVZELO-UHFFFAOYSA-N -1 3 386.460 0.849 20 0 GCADHM COc1ccc(-n2nnc(C(=O)Nc3ccncc3-c3nnn[n-]3)c2C)cc1 ZINC000737065358 599257841 /nfs/dbraw/zinc/25/78/41/599257841.db2.gz KIOKFMFDDIVWLJ-UHFFFAOYSA-N -1 3 377.368 0.834 20 0 GCADHM COc1ccc(-n2nnc(C(=O)Nc3ccncc3-c3nn[n-]n3)c2C)cc1 ZINC000737065358 599257843 /nfs/dbraw/zinc/25/78/43/599257843.db2.gz KIOKFMFDDIVWLJ-UHFFFAOYSA-N -1 3 377.368 0.834 20 0 GCADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000823497978 607301888 /nfs/dbraw/zinc/30/18/88/607301888.db2.gz COPZQZDXFGLVHD-LLVKDONJSA-N -1 3 377.836 0.709 20 0 GCADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CC[C@H](CN2CCOCC2)C1 ZINC000823497978 607301889 /nfs/dbraw/zinc/30/18/89/607301889.db2.gz COPZQZDXFGLVHD-LLVKDONJSA-N -1 3 377.836 0.709 20 0 GCADHM CCN(CCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C)S(C)(=O)=O ZINC000821207160 607290464 /nfs/dbraw/zinc/29/04/64/607290464.db2.gz IXPVDBGOVSEPGK-UHFFFAOYSA-N -1 3 381.462 0.968 20 0 GCADHM CCN(CCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C)S(C)(=O)=O ZINC000821207160 607290465 /nfs/dbraw/zinc/29/04/65/607290465.db2.gz IXPVDBGOVSEPGK-UHFFFAOYSA-N -1 3 381.462 0.968 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736189452 599262299 /nfs/dbraw/zinc/26/22/99/599262299.db2.gz PTMDRXJIGPODDX-CYBMUJFWSA-N -1 3 380.412 0.773 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736189452 599262301 /nfs/dbraw/zinc/26/23/01/599262301.db2.gz PTMDRXJIGPODDX-CYBMUJFWSA-N -1 3 380.412 0.773 20 0 GCADHM Cc1c(NC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cccc1-c1nnn[n-]1 ZINC000822084480 607291679 /nfs/dbraw/zinc/29/16/79/607291679.db2.gz KWOFWGAWTHDIPI-CYBMUJFWSA-N -1 3 398.471 0.992 20 0 GCADHM Cc1c(NC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cccc1-c1nn[n-]n1 ZINC000822084480 607291680 /nfs/dbraw/zinc/29/16/80/607291680.db2.gz KWOFWGAWTHDIPI-CYBMUJFWSA-N -1 3 398.471 0.992 20 0 GCADHM C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820366387 599259501 /nfs/dbraw/zinc/25/95/01/599259501.db2.gz NXQCVFCKZASCEQ-LLVKDONJSA-N -1 3 382.446 0.288 20 0 GCADHM C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820366387 599259504 /nfs/dbraw/zinc/25/95/04/599259504.db2.gz NXQCVFCKZASCEQ-LLVKDONJSA-N -1 3 382.446 0.288 20 0 GCADHM COC(=O)N1CC(NC(=O)NCCSCc2ccccc2-c2nnn[n-]2)C1 ZINC000821663904 607297254 /nfs/dbraw/zinc/29/72/54/607297254.db2.gz SSSOVDBACVXTLI-UHFFFAOYSA-N -1 3 391.457 0.850 20 0 GCADHM COC(=O)N1CC(NC(=O)NCCSCc2ccccc2-c2nn[n-]n2)C1 ZINC000821663904 607297255 /nfs/dbraw/zinc/29/72/55/607297255.db2.gz SSSOVDBACVXTLI-UHFFFAOYSA-N -1 3 391.457 0.850 20 0 GCADHM O=C(CN1CCN(c2cc(-c3nnn[n-]3)nc3ccccc32)CC1)NC1CC1 ZINC000737883426 599260257 /nfs/dbraw/zinc/26/02/57/599260257.db2.gz QCFJQQFMHAKWGQ-UHFFFAOYSA-N -1 3 378.440 0.816 20 0 GCADHM NC(=O)[C@@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000822860604 607298410 /nfs/dbraw/zinc/29/84/10/607298410.db2.gz ZHTCBBWOTQNKBB-GFCCVEGCSA-N -1 3 385.428 0.699 20 0 GCADHM NC(=O)[C@@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000822860604 607298411 /nfs/dbraw/zinc/29/84/11/607298411.db2.gz ZHTCBBWOTQNKBB-GFCCVEGCSA-N -1 3 385.428 0.699 20 0 GCADHM NC(=O)CCn1ccc(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737749684 599260415 /nfs/dbraw/zinc/26/04/15/599260415.db2.gz ZMUAVOADDKRJMO-UHFFFAOYSA-N -1 3 386.441 0.811 20 0 GCADHM NC(=O)CCn1ccc(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737749684 599260419 /nfs/dbraw/zinc/26/04/19/599260419.db2.gz ZMUAVOADDKRJMO-UHFFFAOYSA-N -1 3 386.441 0.811 20 0 GCADHM NC(=O)CCn1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737746652 599260520 /nfs/dbraw/zinc/26/05/20/599260520.db2.gz KBHCNHFFXQWNDO-AWEZNQCLSA-N -1 3 395.427 0.546 20 0 GCADHM CCN(CCCNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)S(C)(=O)=O ZINC000821206412 607299737 /nfs/dbraw/zinc/29/97/37/607299737.db2.gz AYCUGDOPPYPMFH-UHFFFAOYSA-N -1 3 387.853 0.317 20 0 GCADHM CCN(CCCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)S(C)(=O)=O ZINC000821206412 607299738 /nfs/dbraw/zinc/29/97/38/607299738.db2.gz AYCUGDOPPYPMFH-UHFFFAOYSA-N -1 3 387.853 0.317 20 0 GCADHM CC(C)C(=O)NCCNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820011016 607300208 /nfs/dbraw/zinc/30/02/08/607300208.db2.gz GCZURXAWGZDIJD-UHFFFAOYSA-N -1 3 387.444 0.864 20 0 GCADHM CC(C)C(=O)NCCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820011016 607300209 /nfs/dbraw/zinc/30/02/09/607300209.db2.gz GCZURXAWGZDIJD-UHFFFAOYSA-N -1 3 387.444 0.864 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000821578003 607300465 /nfs/dbraw/zinc/30/04/65/607300465.db2.gz JBYUINIIOHRGHH-UHFFFAOYSA-N -1 3 375.780 0.452 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000821578003 607300466 /nfs/dbraw/zinc/30/04/66/607300466.db2.gz JBYUINIIOHRGHH-UHFFFAOYSA-N -1 3 375.780 0.452 20 0 GCADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H]1CN1CCOCC1 ZINC000823498522 607301832 /nfs/dbraw/zinc/30/18/32/607301832.db2.gz SUZUHMCPBILQCZ-GFCCVEGCSA-N -1 3 377.836 0.852 20 0 GCADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]1CN1CCOCC1 ZINC000823498522 607301833 /nfs/dbraw/zinc/30/18/33/607301833.db2.gz SUZUHMCPBILQCZ-GFCCVEGCSA-N -1 3 377.836 0.852 20 0 GCADHM O=C1NCCN1c1cccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000823547358 607310193 /nfs/dbraw/zinc/31/01/93/607310193.db2.gz JDTZLIMCRLTAFL-LLVKDONJSA-N -1 3 380.416 0.747 20 0 GCADHM O=C1NCCN1c1cccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000823547358 607310194 /nfs/dbraw/zinc/31/01/94/607310194.db2.gz JDTZLIMCRLTAFL-LLVKDONJSA-N -1 3 380.416 0.747 20 0 GCADHM NC(=O)CSc1ccccc1NC[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000822873758 607310930 /nfs/dbraw/zinc/31/09/30/607310930.db2.gz ICHNSCLVESIJDM-SNVBAGLBSA-N -1 3 385.457 0.794 20 0 GCADHM NC(=O)CSc1ccccc1NC[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000822873758 607310931 /nfs/dbraw/zinc/31/09/31/607310931.db2.gz ICHNSCLVESIJDM-SNVBAGLBSA-N -1 3 385.457 0.794 20 0 GCADHM O=C1[C@@H](N2CCN([C@H]3CCOC3)CC2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823504311 607311751 /nfs/dbraw/zinc/31/17/51/607311751.db2.gz OWOWVHNNFHDFKX-IRXDYDNUSA-N -1 3 383.456 0.379 20 0 GCADHM Cc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1-n1cnnn1 ZINC000822254763 607312904 /nfs/dbraw/zinc/31/29/04/607312904.db2.gz QPNVGAHKQWYBIR-NSHDSACASA-N -1 3 378.404 0.501 20 0 GCADHM Cc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1-n1cnnn1 ZINC000822254763 607312905 /nfs/dbraw/zinc/31/29/05/607312905.db2.gz QPNVGAHKQWYBIR-NSHDSACASA-N -1 3 378.404 0.501 20 0 GCADHM O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823572129 607315522 /nfs/dbraw/zinc/31/55/22/607315522.db2.gz BSNMHVAEOKFLNO-LSDHHAIUSA-N -1 3 375.385 0.942 20 0 GCADHM O=S(=O)(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823572129 607315523 /nfs/dbraw/zinc/31/55/23/607315523.db2.gz BSNMHVAEOKFLNO-LSDHHAIUSA-N -1 3 375.385 0.942 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3ccc(Cl)cc3-c3nnn[n-]3)CC2)C1 ZINC000823612624 607304073 /nfs/dbraw/zinc/30/40/73/607304073.db2.gz CWNODTFDGFFEOA-GFCCVEGCSA-N -1 3 382.877 0.829 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3ccc(Cl)cc3-c3nn[n-]n3)CC2)C1 ZINC000823612624 607304074 /nfs/dbraw/zinc/30/40/74/607304074.db2.gz CWNODTFDGFFEOA-GFCCVEGCSA-N -1 3 382.877 0.829 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3nc4ccccc4cc3-c3nnn[n-]3)CC2)C1 ZINC000823615063 607304167 /nfs/dbraw/zinc/30/41/67/607304167.db2.gz ZISXQPNAVQKHGU-AWEZNQCLSA-N -1 3 399.480 0.724 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3nc4ccccc4cc3-c3nn[n-]n3)CC2)C1 ZINC000823615063 607304168 /nfs/dbraw/zinc/30/41/68/607304168.db2.gz ZISXQPNAVQKHGU-AWEZNQCLSA-N -1 3 399.480 0.724 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737759074 599265969 /nfs/dbraw/zinc/26/59/69/599265969.db2.gz GSRLYEUEBQVRIC-UHFFFAOYSA-N -1 3 377.408 0.928 20 0 GCADHM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737759074 599265970 /nfs/dbraw/zinc/26/59/70/599265970.db2.gz GSRLYEUEBQVRIC-UHFFFAOYSA-N -1 3 377.408 0.928 20 0 GCADHM O=C1NC2(CCC3(CC2)OCCO3)C(=O)N1Cc1cccc(-c2nnn[n-]2)c1 ZINC000823540464 607305235 /nfs/dbraw/zinc/30/52/35/607305235.db2.gz FSCZSUWNIZOUFF-UHFFFAOYSA-N -1 3 384.396 0.974 20 0 GCADHM O=C1NC2(CCC3(CC2)OCCO3)C(=O)N1Cc1cccc(-c2nn[n-]n2)c1 ZINC000823540464 607305236 /nfs/dbraw/zinc/30/52/36/607305236.db2.gz FSCZSUWNIZOUFF-UHFFFAOYSA-N -1 3 384.396 0.974 20 0 GCADHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819898330 607316673 /nfs/dbraw/zinc/31/66/73/607316673.db2.gz FGABCVJNCMGSFO-CYBMUJFWSA-N -1 3 396.473 0.326 20 0 GCADHM CC(=O)NC[C@@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000735473937 599269888 /nfs/dbraw/zinc/26/98/88/599269888.db2.gz LSIQTRNTDCXVTB-ZWNOBZJWSA-N -1 3 391.432 0.240 20 0 GCADHM COC[C@@H](C)S(=O)(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736968373 599272409 /nfs/dbraw/zinc/27/24/09/599272409.db2.gz GGRYUZPNCJYXBQ-CQSZACIVSA-N -1 3 394.501 0.739 20 0 GCADHM COc1cccc(CS(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000737132360 599274048 /nfs/dbraw/zinc/27/40/48/599274048.db2.gz KMOUPIFPMQMTJR-UHFFFAOYSA-N -1 3 389.441 0.802 20 0 GCADHM COc1cccc(CS(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000737132360 599274050 /nfs/dbraw/zinc/27/40/50/599274050.db2.gz KMOUPIFPMQMTJR-UHFFFAOYSA-N -1 3 389.441 0.802 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCOCCS(C)(=O)=O ZINC000821762414 599274819 /nfs/dbraw/zinc/27/48/19/599274819.db2.gz KSUGUHSNURAYEV-UHFFFAOYSA-N -1 3 384.418 0.058 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCOCCS(C)(=O)=O ZINC000821762414 599274821 /nfs/dbraw/zinc/27/48/21/599274821.db2.gz KSUGUHSNURAYEV-UHFFFAOYSA-N -1 3 384.418 0.058 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000736170877 599275682 /nfs/dbraw/zinc/27/56/82/599275682.db2.gz SFSAGFWWVQCPSJ-WFASDCNBSA-N -1 3 384.400 0.153 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000736184673 599275714 /nfs/dbraw/zinc/27/57/14/599275714.db2.gz MAZUJGNTVPGMQK-OLZOCXBDSA-N -1 3 384.400 0.153 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000736184673 599275715 /nfs/dbraw/zinc/27/57/15/599275715.db2.gz MAZUJGNTVPGMQK-OLZOCXBDSA-N -1 3 384.400 0.153 20 0 GCADHM CCn1nnnc1-c1cccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821568013 607317763 /nfs/dbraw/zinc/31/77/63/607317763.db2.gz DHZFZMIDNXMMNJ-LLVKDONJSA-N -1 3 392.431 0.890 20 0 GCADHM CCn1nnnc1-c1cccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821568013 607317764 /nfs/dbraw/zinc/31/77/64/607317764.db2.gz DHZFZMIDNXMMNJ-LLVKDONJSA-N -1 3 392.431 0.890 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)NCc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737609804 599277198 /nfs/dbraw/zinc/27/71/98/599277198.db2.gz JVLIZBKOBDJNOH-AWEZNQCLSA-N -1 3 381.400 0.205 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)NCc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737609804 599277201 /nfs/dbraw/zinc/27/72/01/599277201.db2.gz JVLIZBKOBDJNOH-AWEZNQCLSA-N -1 3 381.400 0.205 20 0 GCADHM C[C@@H](NC(=O)N1CCO[C@@H](Cn2cncn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736113533 599277477 /nfs/dbraw/zinc/27/74/77/599277477.db2.gz PFZCYZAYWHFHMF-IUODEOHRSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@@H](NC(=O)N1CCO[C@@H](Cn2cncn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736113533 599277479 /nfs/dbraw/zinc/27/74/79/599277479.db2.gz PFZCYZAYWHFHMF-IUODEOHRSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@@H]1CN=C(N2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)S1 ZINC000736295831 599277961 /nfs/dbraw/zinc/27/79/61/599277961.db2.gz YUUWDKGUZIJZGD-GFCCVEGCSA-N -1 3 387.469 0.881 20 0 GCADHM CCC1N=NC(=S)N1CCNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736711251 599279281 /nfs/dbraw/zinc/27/92/81/599279281.db2.gz SPVWSFNAWWVYEW-JTQLQIEISA-N -1 3 388.457 0.893 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736821473 599280605 /nfs/dbraw/zinc/28/06/05/599280605.db2.gz WFJKGDZUTBSSEJ-OAHLLOKOSA-N -1 3 395.427 0.547 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736821473 599280608 /nfs/dbraw/zinc/28/06/08/599280608.db2.gz WFJKGDZUTBSSEJ-OAHLLOKOSA-N -1 3 395.427 0.547 20 0 GCADHM CNc1cc2c(nn1)CCN(C(=O)NCCNc1ncccc1-c1nnn[n-]1)C2 ZINC000736887228 599280687 /nfs/dbraw/zinc/28/06/87/599280687.db2.gz LRVOFHZLOFJVQA-UHFFFAOYSA-N -1 3 395.431 0.273 20 0 GCADHM CNc1cc2c(nn1)CCN(C(=O)NCCNc1ncccc1-c1nn[n-]n1)C2 ZINC000736887228 599280691 /nfs/dbraw/zinc/28/06/91/599280691.db2.gz LRVOFHZLOFJVQA-UHFFFAOYSA-N -1 3 395.431 0.273 20 0 GCADHM Cc1cnn(CCNC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737449249 599280921 /nfs/dbraw/zinc/28/09/21/599280921.db2.gz VBAPEFRYSIPDMV-UHFFFAOYSA-N -1 3 396.459 0.735 20 0 GCADHM Cc1cnn(CCNC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737449249 599280922 /nfs/dbraw/zinc/28/09/22/599280922.db2.gz VBAPEFRYSIPDMV-UHFFFAOYSA-N -1 3 396.459 0.735 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCn1cc(C)cn1 ZINC000736634513 599282781 /nfs/dbraw/zinc/28/27/81/599282781.db2.gz IIINPQBIFDPRPT-UHFFFAOYSA-N -1 3 384.400 0.525 20 0 GCADHM CCN(C(=O)COc1c(C)cc(-c2nn[n-]n2)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000736505692 599282824 /nfs/dbraw/zinc/28/28/24/599282824.db2.gz RHAYQRQWXWLNRH-CQSZACIVSA-N -1 3 393.469 0.898 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736821472 599280271 /nfs/dbraw/zinc/28/02/71/599280271.db2.gz WFJKGDZUTBSSEJ-HNNXBMFYSA-N -1 3 395.427 0.547 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736821472 599280272 /nfs/dbraw/zinc/28/02/72/599280272.db2.gz WFJKGDZUTBSSEJ-HNNXBMFYSA-N -1 3 395.427 0.547 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1-c1nnn[n-]1 ZINC000737399168 599284353 /nfs/dbraw/zinc/28/43/53/599284353.db2.gz LQZRAEXVWODDCQ-LBPRGKRZSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@H](c3cnn(C)c3)C2)c1-c1nn[n-]n1 ZINC000737399168 599284354 /nfs/dbraw/zinc/28/43/54/599284354.db2.gz LQZRAEXVWODDCQ-LBPRGKRZSA-N -1 3 380.412 0.863 20 0 GCADHM Cn1cccc(NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1=O ZINC000822689511 599284710 /nfs/dbraw/zinc/28/47/10/599284710.db2.gz KFQIKFPJZHOMNN-UHFFFAOYSA-N -1 3 380.412 0.920 20 0 GCADHM Cn1cccc(NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1=O ZINC000822689511 599284714 /nfs/dbraw/zinc/28/47/14/599284714.db2.gz KFQIKFPJZHOMNN-UHFFFAOYSA-N -1 3 380.412 0.920 20 0 GCADHM Cn1cccc(NC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000822689591 599284935 /nfs/dbraw/zinc/28/49/35/599284935.db2.gz NQNRIDUODBMDTK-UHFFFAOYSA-N -1 3 394.439 0.915 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000737472527 599289574 /nfs/dbraw/zinc/28/95/74/599289574.db2.gz UAUKIRKNMJRVEA-OAHLLOKOSA-N -1 3 397.443 0.703 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000737472527 599289576 /nfs/dbraw/zinc/28/95/76/599289576.db2.gz UAUKIRKNMJRVEA-OAHLLOKOSA-N -1 3 397.443 0.703 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2)no1 ZINC000737470945 599289833 /nfs/dbraw/zinc/28/98/33/599289833.db2.gz DWCOWTYHXFOEKH-HOCLYGCPSA-N -1 3 397.443 0.291 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000737470945 599289835 /nfs/dbraw/zinc/28/98/35/599289835.db2.gz DWCOWTYHXFOEKH-HOCLYGCPSA-N -1 3 397.443 0.291 20 0 GCADHM COC(=O)Cn1cc([C@@H](C)OC(=O)COc2ccccc2-c2nnn[n-]2)nn1 ZINC000821663611 607320883 /nfs/dbraw/zinc/32/08/83/607320883.db2.gz GCHFFBZSAFEQNF-SNVBAGLBSA-N -1 3 387.356 0.314 20 0 GCADHM COC(=O)Cn1cc([C@@H](C)OC(=O)COc2ccccc2-c2nn[n-]n2)nn1 ZINC000821663611 607320884 /nfs/dbraw/zinc/32/08/84/607320884.db2.gz GCHFFBZSAFEQNF-SNVBAGLBSA-N -1 3 387.356 0.314 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000821664016 607320974 /nfs/dbraw/zinc/32/09/74/607320974.db2.gz YXIROQDRVRRTPD-NSHDSACASA-N -1 3 385.384 0.868 20 0 GCADHM COC(=O)Cn1cc([C@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000821664016 607320975 /nfs/dbraw/zinc/32/09/75/607320975.db2.gz YXIROQDRVRRTPD-NSHDSACASA-N -1 3 385.384 0.868 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000821700663 607321051 /nfs/dbraw/zinc/32/10/51/607321051.db2.gz UMAVOLALBVRJFP-ABAIWWIYSA-N -1 3 376.417 0.089 20 0 GCADHM COC(=O)Cn1cc([C@@H](C)OC(=O)CCc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000821664015 607321198 /nfs/dbraw/zinc/32/11/98/607321198.db2.gz YXIROQDRVRRTPD-LLVKDONJSA-N -1 3 385.384 0.868 20 0 GCADHM COC(=O)Cn1cc([C@@H](C)OC(=O)CCc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000821664015 607321199 /nfs/dbraw/zinc/32/11/99/607321199.db2.gz YXIROQDRVRRTPD-LLVKDONJSA-N -1 3 385.384 0.868 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000821700665 607321235 /nfs/dbraw/zinc/32/12/35/607321235.db2.gz UMAVOLALBVRJFP-NHYWBVRUSA-N -1 3 376.417 0.089 20 0 GCADHM NC(=O)COCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822868699 607324859 /nfs/dbraw/zinc/32/48/59/607324859.db2.gz FUISZMDCTXGCSC-UHFFFAOYSA-N -1 3 396.407 0.677 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OCCc1cn[nH]c1 ZINC000823055564 607322885 /nfs/dbraw/zinc/32/28/85/607322885.db2.gz QNKVMEKGFSOLJN-UHFFFAOYSA-N -1 3 376.398 0.291 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OCCc1cn[nH]c1 ZINC000823055564 607322886 /nfs/dbraw/zinc/32/28/86/607322886.db2.gz QNKVMEKGFSOLJN-UHFFFAOYSA-N -1 3 376.398 0.291 20 0 GCADHM Cc1c[nH]c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822394492 607324389 /nfs/dbraw/zinc/32/43/89/607324389.db2.gz BETWWFPQONMGBN-VIFPVBQESA-N -1 3 376.402 0.204 20 0 GCADHM Cc1c[nH]c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822394492 607324390 /nfs/dbraw/zinc/32/43/90/607324390.db2.gz BETWWFPQONMGBN-VIFPVBQESA-N -1 3 376.402 0.204 20 0 GCADHM Cc1cn(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000822383693 607330703 /nfs/dbraw/zinc/33/07/03/607330703.db2.gz AUBNVLBWZSTMPL-CQSZACIVSA-N -1 3 392.485 0.935 20 0 GCADHM Cc1cn(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000822383693 607330704 /nfs/dbraw/zinc/33/07/04/607330704.db2.gz AUBNVLBWZSTMPL-CQSZACIVSA-N -1 3 392.485 0.935 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000822472650 607333536 /nfs/dbraw/zinc/33/35/36/607333536.db2.gz WFIUHSPAAJDUGQ-LBPRGKRZSA-N -1 3 396.386 0.716 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000822472650 607333537 /nfs/dbraw/zinc/33/35/37/607333537.db2.gz WFIUHSPAAJDUGQ-LBPRGKRZSA-N -1 3 396.386 0.716 20 0 GCADHM Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000822709130 607333730 /nfs/dbraw/zinc/33/37/30/607333730.db2.gz GYKNWRPYBXVWKK-LBPRGKRZSA-N -1 3 384.375 0.872 20 0 GCADHM Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000822709130 607333731 /nfs/dbraw/zinc/33/37/31/607333731.db2.gz GYKNWRPYBXVWKK-LBPRGKRZSA-N -1 3 384.375 0.872 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000819803644 607334001 /nfs/dbraw/zinc/33/40/01/607334001.db2.gz OIMQBKIFASUFIO-LLVKDONJSA-N -1 3 375.364 0.071 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000819803644 607334002 /nfs/dbraw/zinc/33/40/02/607334002.db2.gz OIMQBKIFASUFIO-LLVKDONJSA-N -1 3 375.364 0.071 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCN(c2cnccn2)CC1 ZINC000823323472 607335156 /nfs/dbraw/zinc/33/51/56/607335156.db2.gz PHLXYKRIIVFRNZ-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCN(c2cnccn2)CC1 ZINC000823323472 607335158 /nfs/dbraw/zinc/33/51/58/607335158.db2.gz PHLXYKRIIVFRNZ-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(NCc1cccc2c1OCO2)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823261549 607336884 /nfs/dbraw/zinc/33/68/84/607336884.db2.gz NGSISUKYVZKUEB-UHFFFAOYSA-N -1 3 384.327 0.989 20 0 GCADHM O=C(NCc1cccc2c1OCO2)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823261549 607336885 /nfs/dbraw/zinc/33/68/85/607336885.db2.gz NGSISUKYVZKUEB-UHFFFAOYSA-N -1 3 384.327 0.989 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823210539 607337863 /nfs/dbraw/zinc/33/78/63/607337863.db2.gz BHSWQRDERGYCRB-SNVBAGLBSA-N -1 3 378.364 0.114 20 0 GCADHM O=C(NCCOC[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823210539 607337865 /nfs/dbraw/zinc/33/78/65/607337865.db2.gz BHSWQRDERGYCRB-SNVBAGLBSA-N -1 3 378.364 0.114 20 0 GCADHM O=C(NCCCN1CCCCC1=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823191040 607338254 /nfs/dbraw/zinc/33/82/54/607338254.db2.gz HJUWLKIKUCNPMC-UHFFFAOYSA-N -1 3 389.391 0.463 20 0 GCADHM O=C(NCCCN1CCCCC1=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823191040 607338256 /nfs/dbraw/zinc/33/82/56/607338256.db2.gz HJUWLKIKUCNPMC-UHFFFAOYSA-N -1 3 389.391 0.463 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000823323670 607341723 /nfs/dbraw/zinc/34/17/23/607341723.db2.gz YNJXHWCQSARCJJ-JTQLQIEISA-N -1 3 388.281 0.734 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000823323670 607341725 /nfs/dbraw/zinc/34/17/25/607341725.db2.gz YNJXHWCQSARCJJ-JTQLQIEISA-N -1 3 388.281 0.734 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821692492 607342396 /nfs/dbraw/zinc/34/23/96/607342396.db2.gz ZJFPGKCNRUHTGU-LLVKDONJSA-N -1 3 392.391 0.456 20 0 GCADHM COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821692492 607342397 /nfs/dbraw/zinc/34/23/97/607342397.db2.gz ZJFPGKCNRUHTGU-LLVKDONJSA-N -1 3 392.391 0.456 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC000823521687 607342806 /nfs/dbraw/zinc/34/28/06/607342806.db2.gz ZKDPCBIHDQPSON-UHFFFAOYSA-N -1 3 387.375 0.073 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC000823521687 607342807 /nfs/dbraw/zinc/34/28/07/607342807.db2.gz ZKDPCBIHDQPSON-UHFFFAOYSA-N -1 3 387.375 0.073 20 0 GCADHM CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1=O ZINC000820128617 607342898 /nfs/dbraw/zinc/34/28/98/607342898.db2.gz RLGQEWVNIWTRQG-SNVBAGLBSA-N -1 3 375.364 0.070 20 0 GCADHM CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1=O ZINC000820128617 607342900 /nfs/dbraw/zinc/34/29/00/607342900.db2.gz RLGQEWVNIWTRQG-SNVBAGLBSA-N -1 3 375.364 0.070 20 0 GCADHM Cn1cc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737604051 598231976 /nfs/dbraw/zinc/23/19/76/598231976.db2.gz MPMIDHXRNYHTIC-AWEZNQCLSA-N -1 3 398.452 0.683 20 0 GCADHM Cn1cc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737604051 598231978 /nfs/dbraw/zinc/23/19/78/598231978.db2.gz MPMIDHXRNYHTIC-AWEZNQCLSA-N -1 3 398.452 0.683 20 0 GCADHM O=C(CCn1ccnc1)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738150627 598232156 /nfs/dbraw/zinc/23/21/56/598232156.db2.gz AYCIPWSXFLNVGA-AWEZNQCLSA-N -1 3 398.452 0.994 20 0 GCADHM O=C(CSc1cccc[n+]1[O-])N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737948375 598232283 /nfs/dbraw/zinc/23/22/83/598232283.db2.gz UQFAODBYKYDTMP-UHFFFAOYSA-N -1 3 397.464 0.941 20 0 GCADHM O=C(CSc1cccc[n+]1[O-])N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737948375 598232284 /nfs/dbraw/zinc/23/22/84/598232284.db2.gz UQFAODBYKYDTMP-UHFFFAOYSA-N -1 3 397.464 0.941 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)[C@H](C)CO1 ZINC000736284880 598232783 /nfs/dbraw/zinc/23/27/83/598232783.db2.gz HIYQASNCYXZHBL-SEDUGSJDSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)[C@H](C)CO1 ZINC000736284880 598232785 /nfs/dbraw/zinc/23/27/85/598232785.db2.gz HIYQASNCYXZHBL-SEDUGSJDSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736293130 598233664 /nfs/dbraw/zinc/23/36/64/598233664.db2.gz ODSAMIFDKWYYQB-LBPRGKRZSA-N -1 3 397.443 0.085 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736293130 598233666 /nfs/dbraw/zinc/23/36/66/598233666.db2.gz ODSAMIFDKWYYQB-LBPRGKRZSA-N -1 3 397.443 0.085 20 0 GCADHM C[C@@H](C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1)S(C)(=O)=O ZINC000735521143 598236165 /nfs/dbraw/zinc/23/61/65/598236165.db2.gz SBXSJIVIPKNHLW-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM C[C@@H](C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC000735521143 598236167 /nfs/dbraw/zinc/23/61/67/598236167.db2.gz SBXSJIVIPKNHLW-NSHDSACASA-N -1 3 379.442 0.670 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000737022968 598241291 /nfs/dbraw/zinc/24/12/91/598241291.db2.gz GSKZCWLKQRIBRZ-STQMWFEESA-N -1 3 390.444 0.480 20 0 GCADHM Cc1nnc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(C(N)=O)c1C ZINC000737519935 598246815 /nfs/dbraw/zinc/24/68/15/598246815.db2.gz FSURUDRILIFFIQ-UHFFFAOYSA-N -1 3 380.416 0.094 20 0 GCADHM Cc1nnc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(C(N)=O)c1C ZINC000737519935 598246816 /nfs/dbraw/zinc/24/68/16/598246816.db2.gz FSURUDRILIFFIQ-UHFFFAOYSA-N -1 3 380.416 0.094 20 0 GCADHM C[C@](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)(C(N)=O)c1ccccc1 ZINC000736131146 598249199 /nfs/dbraw/zinc/24/91/99/598249199.db2.gz JLQACWOBGWPITP-LJQANCHMSA-N -1 3 379.424 0.473 20 0 GCADHM C[C@](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)(C(N)=O)c1ccccc1 ZINC000736131146 598249200 /nfs/dbraw/zinc/24/92/00/598249200.db2.gz JLQACWOBGWPITP-LJQANCHMSA-N -1 3 379.424 0.473 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736831191 598252019 /nfs/dbraw/zinc/25/20/19/598252019.db2.gz IDPRMRUUDAUOLJ-UHFFFAOYSA-N -1 3 395.471 0.381 20 0 GCADHM CN(Cc1cnn(C)c1)C(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736831191 598252021 /nfs/dbraw/zinc/25/20/21/598252021.db2.gz IDPRMRUUDAUOLJ-UHFFFAOYSA-N -1 3 395.471 0.381 20 0 GCADHM COCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736990850 598252366 /nfs/dbraw/zinc/25/23/66/598252366.db2.gz UGVVCWBFUYRDBB-UHFFFAOYSA-N -1 3 397.457 0.846 20 0 GCADHM COCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736990850 598252368 /nfs/dbraw/zinc/25/23/68/598252368.db2.gz UGVVCWBFUYRDBB-UHFFFAOYSA-N -1 3 397.457 0.846 20 0 GCADHM C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735525988 598252561 /nfs/dbraw/zinc/25/25/61/598252561.db2.gz RVSBYRJQBVZUSH-LBPRGKRZSA-N -1 3 384.444 0.365 20 0 GCADHM C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735525988 598252562 /nfs/dbraw/zinc/25/25/62/598252562.db2.gz RVSBYRJQBVZUSH-LBPRGKRZSA-N -1 3 384.444 0.365 20 0 GCADHM CC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735624145 598254519 /nfs/dbraw/zinc/25/45/19/598254519.db2.gz VBAZFXDYZBUGSB-UHFFFAOYSA-N -1 3 386.460 0.613 20 0 GCADHM CC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735624145 598254521 /nfs/dbraw/zinc/25/45/21/598254521.db2.gz VBAZFXDYZBUGSB-UHFFFAOYSA-N -1 3 386.460 0.613 20 0 GCADHM CC(C)NC(=O)CCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735884640 598258460 /nfs/dbraw/zinc/25/84/60/598258460.db2.gz MUDCNTSRDPWOPO-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM CC(C)NC(=O)CCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735884640 598258461 /nfs/dbraw/zinc/25/84/61/598258461.db2.gz MUDCNTSRDPWOPO-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM O=C1[C@@H](N2CCN(c3cccnn3)CC2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000738289975 598258836 /nfs/dbraw/zinc/25/88/36/598258836.db2.gz LGNRGXHELUTLFA-INIZCTEOSA-N -1 3 391.439 0.584 20 0 GCADHM O=C1[C@@H](N2CCN(c3cccnn3)CC2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738289975 598258837 /nfs/dbraw/zinc/25/88/37/598258837.db2.gz LGNRGXHELUTLFA-INIZCTEOSA-N -1 3 391.439 0.584 20 0 GCADHM O=C(NCCCc1ccccc1)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000738075462 598259882 /nfs/dbraw/zinc/25/98/82/598259882.db2.gz OFOVNYFFQZDQTC-UHFFFAOYSA-N -1 3 394.439 0.539 20 0 GCADHM O=C(NCCCc1ccccc1)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000738075462 598259884 /nfs/dbraw/zinc/25/98/84/598259884.db2.gz OFOVNYFFQZDQTC-UHFFFAOYSA-N -1 3 394.439 0.539 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC(n3cccn3)C2)cc1 ZINC000737778233 598260944 /nfs/dbraw/zinc/26/09/44/598260944.db2.gz YCYBLBYQFWUTKX-UHFFFAOYSA-N -1 3 376.384 0.528 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC(n3cccn3)C2)cc1 ZINC000737778233 598260945 /nfs/dbraw/zinc/26/09/45/598260945.db2.gz YCYBLBYQFWUTKX-UHFFFAOYSA-N -1 3 376.384 0.528 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccccc2C1 ZINC000736025471 598263703 /nfs/dbraw/zinc/26/37/03/598263703.db2.gz HNHGZKCGEWJIJO-CYBMUJFWSA-N -1 3 399.480 0.987 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccccc2C1 ZINC000736025471 598263704 /nfs/dbraw/zinc/26/37/04/598263704.db2.gz HNHGZKCGEWJIJO-CYBMUJFWSA-N -1 3 399.480 0.987 20 0 GCADHM O=S(=O)(C[C@H]1CCCCO1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738317826 598267464 /nfs/dbraw/zinc/26/74/64/598267464.db2.gz NCBGNQMLBGLMKV-CQSZACIVSA-N -1 3 393.473 0.283 20 0 GCADHM O=S(=O)(C[C@H]1CCCCO1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738317826 598267465 /nfs/dbraw/zinc/26/74/65/598267465.db2.gz NCBGNQMLBGLMKV-CQSZACIVSA-N -1 3 393.473 0.283 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)[C@H](C)N1CCOCC1 ZINC000736117808 598268606 /nfs/dbraw/zinc/26/86/06/598268606.db2.gz LDELNGNDCOONSW-OLZOCXBDSA-N -1 3 389.464 0.082 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)[C@H](C)N1CCOCC1 ZINC000736117808 598268607 /nfs/dbraw/zinc/26/86/07/598268607.db2.gz LDELNGNDCOONSW-OLZOCXBDSA-N -1 3 389.464 0.082 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)[C@@H](C)N1CCOCC1 ZINC000736117805 598268610 /nfs/dbraw/zinc/26/86/10/598268610.db2.gz LDELNGNDCOONSW-CHWSQXEVSA-N -1 3 389.464 0.082 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)[C@@H](C)N1CCOCC1 ZINC000736117805 598268611 /nfs/dbraw/zinc/26/86/11/598268611.db2.gz LDELNGNDCOONSW-CHWSQXEVSA-N -1 3 389.464 0.082 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736594498 598268724 /nfs/dbraw/zinc/26/87/24/598268724.db2.gz RJEFCSAOTMYPGN-FZMZJTMJSA-N -1 3 394.457 0.790 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736594498 598268725 /nfs/dbraw/zinc/26/87/25/598268725.db2.gz RJEFCSAOTMYPGN-FZMZJTMJSA-N -1 3 394.457 0.790 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@@H](O)Cc1ccccc1 ZINC000738077524 598269885 /nfs/dbraw/zinc/26/98/85/598269885.db2.gz DXXMWRQJYUUWQN-AWEZNQCLSA-N -1 3 382.428 0.576 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@@H](O)Cc1ccccc1 ZINC000738077524 598269887 /nfs/dbraw/zinc/26/98/87/598269887.db2.gz DXXMWRQJYUUWQN-AWEZNQCLSA-N -1 3 382.428 0.576 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735887980 598271674 /nfs/dbraw/zinc/27/16/74/598271674.db2.gz HFKODEPELZQLJY-MNOVXSKESA-N -1 3 390.400 0.800 20 0 GCADHM O=S(=O)(C[C@@H]1CCCO1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738320180 598272527 /nfs/dbraw/zinc/27/25/27/598272527.db2.gz VNCYTVDKHLIQBR-ZDUSSCGKSA-N -1 3 378.458 0.498 20 0 GCADHM O=S(=O)(C[C@@H]1CCCO1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738320180 598272529 /nfs/dbraw/zinc/27/25/29/598272529.db2.gz VNCYTVDKHLIQBR-ZDUSSCGKSA-N -1 3 378.458 0.498 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736413568 598273524 /nfs/dbraw/zinc/27/35/24/598273524.db2.gz SFYMWOLLJYETOU-CYBMUJFWSA-N -1 3 378.458 0.936 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736413568 598273526 /nfs/dbraw/zinc/27/35/26/598273526.db2.gz SFYMWOLLJYETOU-CYBMUJFWSA-N -1 3 378.458 0.936 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000736411516 598273955 /nfs/dbraw/zinc/27/39/55/598273955.db2.gz KKCREYHCFYJVOB-GFCCVEGCSA-N -1 3 378.458 0.936 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000736411516 598273956 /nfs/dbraw/zinc/27/39/56/598273956.db2.gz KKCREYHCFYJVOB-GFCCVEGCSA-N -1 3 378.458 0.936 20 0 GCADHM CCCNC(=O)CCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736483529 598283796 /nfs/dbraw/zinc/28/37/96/598283796.db2.gz MWHFYVMKMWACJS-UHFFFAOYSA-N -1 3 386.460 0.615 20 0 GCADHM CCCNC(=O)CCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736483529 598283799 /nfs/dbraw/zinc/28/37/99/598283799.db2.gz MWHFYVMKMWACJS-UHFFFAOYSA-N -1 3 386.460 0.615 20 0 GCADHM COCCOCCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737010936 598284087 /nfs/dbraw/zinc/28/40/87/598284087.db2.gz KORGNDBOGHHIPZ-UHFFFAOYSA-N -1 3 393.423 0.500 20 0 GCADHM O=C(CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)N1CCCCC1 ZINC000737888307 598284464 /nfs/dbraw/zinc/28/44/64/598284464.db2.gz BCOXCMVEKVYUGL-UHFFFAOYSA-N -1 3 398.471 0.711 20 0 GCADHM O=C(CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)N1CCCCC1 ZINC000737888307 598284465 /nfs/dbraw/zinc/28/44/65/598284465.db2.gz BCOXCMVEKVYUGL-UHFFFAOYSA-N -1 3 398.471 0.711 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCN1CCCS1(=O)=O ZINC000736814593 598285306 /nfs/dbraw/zinc/28/53/06/598285306.db2.gz QVMUQIYUMVFVID-UHFFFAOYSA-N -1 3 393.473 0.434 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCN1CCCS1(=O)=O ZINC000736814593 598285308 /nfs/dbraw/zinc/28/53/08/598285308.db2.gz QVMUQIYUMVFVID-UHFFFAOYSA-N -1 3 393.473 0.434 20 0 GCADHM Cc1cccn2cc(CC(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)nc12 ZINC000737432695 598285629 /nfs/dbraw/zinc/28/56/29/598285629.db2.gz BUCFVVNOANUDPP-UHFFFAOYSA-N -1 3 377.412 0.989 20 0 GCADHM Cc1cccn2cc(CC(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)nc12 ZINC000737432695 598285630 /nfs/dbraw/zinc/28/56/30/598285630.db2.gz BUCFVVNOANUDPP-UHFFFAOYSA-N -1 3 377.412 0.989 20 0 GCADHM CC(C)[C@@H](OC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)N(C)C ZINC000735733265 598286339 /nfs/dbraw/zinc/28/63/39/598286339.db2.gz GPLBSIVVAPXNDB-CQSZACIVSA-N -1 3 398.427 0.904 20 0 GCADHM CC(C)[C@@H](OC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)N(C)C ZINC000735733265 598286340 /nfs/dbraw/zinc/28/63/40/598286340.db2.gz GPLBSIVVAPXNDB-CQSZACIVSA-N -1 3 398.427 0.904 20 0 GCADHM O=C(CNCc1cnc2c(-c3nnn[n-]3)cnn2c1)N1CCc2ccccc21 ZINC000737895716 598286666 /nfs/dbraw/zinc/28/66/66/598286666.db2.gz QZJDWEXCQMFUQG-UHFFFAOYSA-N -1 3 375.396 0.588 20 0 GCADHM O=C(CNCc1cnc2c(-c3nn[n-]n3)cnn2c1)N1CCc2ccccc21 ZINC000737895716 598286668 /nfs/dbraw/zinc/28/66/68/598286668.db2.gz QZJDWEXCQMFUQG-UHFFFAOYSA-N -1 3 375.396 0.588 20 0 GCADHM O=C(CNC(=O)c1ccccc1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738038538 598287167 /nfs/dbraw/zinc/28/71/67/598287167.db2.gz KHRYOZAWAFJQKT-UHFFFAOYSA-N -1 3 391.435 0.945 20 0 GCADHM O=C(CNC(=O)c1ccccc1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738038538 598287169 /nfs/dbraw/zinc/28/71/69/598287169.db2.gz KHRYOZAWAFJQKT-UHFFFAOYSA-N -1 3 391.435 0.945 20 0 GCADHM C[C@H](OC(=O)C1(C(=O)NC2CC2)CC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736154362 598287346 /nfs/dbraw/zinc/28/73/46/598287346.db2.gz UMNTWPJPEZTBCO-JTQLQIEISA-N -1 3 384.396 0.796 20 0 GCADHM C[C@H](OC(=O)C1(C(=O)NC2CC2)CC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736154362 598287348 /nfs/dbraw/zinc/28/73/48/598287348.db2.gz UMNTWPJPEZTBCO-JTQLQIEISA-N -1 3 384.396 0.796 20 0 GCADHM Cc1oc(NC(=O)COC(=O)c2ccc3nncn3c2)c(-c2nnn[n-]2)c1C ZINC000737552408 598289435 /nfs/dbraw/zinc/28/94/35/598289435.db2.gz PGCUBIRFFSBNDS-UHFFFAOYSA-N -1 3 382.340 0.915 20 0 GCADHM Cc1nc(CS(=O)(=O)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000737476321 598290369 /nfs/dbraw/zinc/29/03/69/598290369.db2.gz BHLAZXSOYGEXKE-UHFFFAOYSA-N -1 3 392.466 0.863 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)Cc1ccccc1 ZINC000737288127 598292037 /nfs/dbraw/zinc/29/20/37/598292037.db2.gz ICOZEFTYNUFZKK-OAHLLOKOSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)Cc1ccccc1 ZINC000737288127 598292038 /nfs/dbraw/zinc/29/20/38/598292038.db2.gz ICOZEFTYNUFZKK-OAHLLOKOSA-N -1 3 380.408 0.833 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000737059938 598292245 /nfs/dbraw/zinc/29/22/45/598292245.db2.gz YOXPQMBNIUPBJF-AWEZNQCLSA-N -1 3 396.407 0.534 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1 ZINC000737059938 598292246 /nfs/dbraw/zinc/29/22/46/598292246.db2.gz YOXPQMBNIUPBJF-AWEZNQCLSA-N -1 3 396.407 0.534 20 0 GCADHM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735719612 598292391 /nfs/dbraw/zinc/29/23/91/598292391.db2.gz HBCPUHFTDASOPF-LLVKDONJSA-N -1 3 394.436 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/nfs/dbraw/zinc/33/21/96/598332196.db2.gz ZSTAFNCBQFOLTE-UHFFFAOYSA-N -1 3 397.395 0.216 20 0 GCADHM CC(C)N1C(=O)CN(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1=O ZINC000735876320 598333811 /nfs/dbraw/zinc/33/38/11/598333811.db2.gz ZNKXLRIKZFFFIP-UHFFFAOYSA-N -1 3 385.432 0.014 20 0 GCADHM CC(C)N1C(=O)CN(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1=O ZINC000735876320 598333812 /nfs/dbraw/zinc/33/38/12/598333812.db2.gz ZNKXLRIKZFFFIP-UHFFFAOYSA-N -1 3 385.432 0.014 20 0 GCADHM CC1(C)CN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)CCO1 ZINC000736212694 598334527 /nfs/dbraw/zinc/33/45/27/598334527.db2.gz DKLZGNNDOQNVAJ-UHFFFAOYSA-N -1 3 385.428 0.699 20 0 GCADHM CC1(C)CN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)CCO1 ZINC000736212694 598334529 /nfs/dbraw/zinc/33/45/29/598334529.db2.gz DKLZGNNDOQNVAJ-UHFFFAOYSA-N -1 3 385.428 0.699 20 0 GCADHM Cc1nnc(CN2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)n1C ZINC000737521058 598339554 /nfs/dbraw/zinc/33/95/54/598339554.db2.gz LGEHHVIRZAJIRK-UHFFFAOYSA-N -1 3 380.460 0.510 20 0 GCADHM Cc1nnc(CN2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)n1C ZINC000737521058 598339556 /nfs/dbraw/zinc/33/95/56/598339556.db2.gz LGEHHVIRZAJIRK-UHFFFAOYSA-N -1 3 380.460 0.510 20 0 GCADHM COCCN1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C[C@H]1C ZINC000737002479 598343926 /nfs/dbraw/zinc/34/39/26/598343926.db2.gz BMUVJWNPCVYQSC-LLVKDONJSA-N -1 3 377.449 0.668 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737615790 598344578 /nfs/dbraw/zinc/34/45/78/598344578.db2.gz LOUMQDVNWGEBAJ-UHFFFAOYSA-N -1 3 380.456 0.877 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737615790 598344580 /nfs/dbraw/zinc/34/45/80/598344580.db2.gz LOUMQDVNWGEBAJ-UHFFFAOYSA-N -1 3 380.456 0.877 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000736145154 598348784 /nfs/dbraw/zinc/34/87/84/598348784.db2.gz BNSTZJPLZXVVKD-WMLDXEAASA-N -1 3 388.472 0.795 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000736145154 598348786 /nfs/dbraw/zinc/34/87/86/598348786.db2.gz BNSTZJPLZXVVKD-WMLDXEAASA-N -1 3 388.472 0.795 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1Cn1cccn1 ZINC000738040106 598352417 /nfs/dbraw/zinc/35/24/17/598352417.db2.gz SQSUCJACURMEQP-OAHLLOKOSA-N -1 3 380.412 0.484 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1Cn1cccn1 ZINC000738040106 598352419 /nfs/dbraw/zinc/35/24/19/598352419.db2.gz SQSUCJACURMEQP-OAHLLOKOSA-N -1 3 380.412 0.484 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCO[C@H](Cn2cccn2)C1 ZINC000735563324 598352555 /nfs/dbraw/zinc/35/25/55/598352555.db2.gz SVZYIIMPHXYDLB-KGLIPLIRSA-N -1 3 382.428 0.791 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCO[C@H](Cn2cccn2)C1 ZINC000735563324 598352557 /nfs/dbraw/zinc/35/25/57/598352557.db2.gz SVZYIIMPHXYDLB-KGLIPLIRSA-N -1 3 382.428 0.791 20 0 GCADHM O=C(CCNc1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncccn2)CC1 ZINC000737848337 598353595 /nfs/dbraw/zinc/35/35/95/598353595.db2.gz RHHSNKMCFKZWPC-UHFFFAOYSA-N -1 3 379.428 0.808 20 0 GCADHM O=C(CCN1CCO[C@H](Cn2cccn2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000737842456 598353997 /nfs/dbraw/zinc/35/39/97/598353997.db2.gz BWKXCJBCOMLARP-LBPRGKRZSA-N -1 3 388.457 0.854 20 0 GCADHM O=C(CCN1CCO[C@H](Cn2cccn2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000737842456 598353999 /nfs/dbraw/zinc/35/39/99/598353999.db2.gz BWKXCJBCOMLARP-LBPRGKRZSA-N -1 3 388.457 0.854 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736509743 598355429 /nfs/dbraw/zinc/35/54/29/598355429.db2.gz LAONVHJJSLSAII-GFCCVEGCSA-N -1 3 382.471 0.409 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736509743 598355433 /nfs/dbraw/zinc/35/54/33/598355433.db2.gz LAONVHJJSLSAII-GFCCVEGCSA-N -1 3 382.471 0.409 20 0 GCADHM CN1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CC1=O ZINC000736845490 598356508 /nfs/dbraw/zinc/35/65/08/598356508.db2.gz LMGFUEQGJVEYLV-QMMMGPOBSA-N -1 3 390.347 0.395 20 0 GCADHM CN1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1=O ZINC000736845490 598356509 /nfs/dbraw/zinc/35/65/09/598356509.db2.gz LMGFUEQGJVEYLV-QMMMGPOBSA-N -1 3 390.347 0.395 20 0 GCADHM Cc1nnc(CN2CCN(CCOc3cccc(-c4nn[n-]n4)c3)CC2)n1C ZINC000737523580 598358234 /nfs/dbraw/zinc/35/82/34/598358234.db2.gz VOZXTTTTYRCYIZ-UHFFFAOYSA-N -1 3 383.460 0.500 20 0 GCADHM CS(=O)(=O)Cc1c2ccccc2oc1C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000737162558 598358511 /nfs/dbraw/zinc/35/85/11/598358511.db2.gz NBDYCSYMRMQKAF-UHFFFAOYSA-N -1 3 387.381 0.625 20 0 GCADHM O=C(CSc1nnnn1C1CCOCC1)Nc1sccc1-c1nnn[n-]1 ZINC000737953639 598359418 /nfs/dbraw/zinc/35/94/18/598359418.db2.gz MKGHZPNNLAITMV-UHFFFAOYSA-N -1 3 393.458 0.997 20 0 GCADHM O=C(CSc1nnnn1C1CCOCC1)Nc1sccc1-c1nn[n-]n1 ZINC000737953639 598359420 /nfs/dbraw/zinc/35/94/20/598359420.db2.gz MKGHZPNNLAITMV-UHFFFAOYSA-N -1 3 393.458 0.997 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737614929 598362073 /nfs/dbraw/zinc/36/20/73/598362073.db2.gz CHNUUQRSCNSOHJ-UHFFFAOYSA-N -1 3 380.456 0.877 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737614929 598362075 /nfs/dbraw/zinc/36/20/75/598362075.db2.gz CHNUUQRSCNSOHJ-UHFFFAOYSA-N -1 3 380.456 0.877 20 0 GCADHM CNC(=O)C1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000736871700 598362116 /nfs/dbraw/zinc/36/21/16/598362116.db2.gz UHVUAQAQZLCBOU-UHFFFAOYSA-N -1 3 397.439 0.570 20 0 GCADHM CNC(=O)C1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000736871700 598362118 /nfs/dbraw/zinc/36/21/18/598362118.db2.gz UHVUAQAQZLCBOU-UHFFFAOYSA-N -1 3 397.439 0.570 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NCCCN1C(=O)CCC1=O ZINC000737930366 598362861 /nfs/dbraw/zinc/36/28/61/598362861.db2.gz BHYAYWZGAGZFMD-UHFFFAOYSA-N -1 3 388.453 0.755 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCCCN1C(=O)CCC1=O ZINC000737930366 598362863 /nfs/dbraw/zinc/36/28/63/598362863.db2.gz BHYAYWZGAGZFMD-UHFFFAOYSA-N -1 3 388.453 0.755 20 0 GCADHM Cc1noc([C@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000737533901 598363430 /nfs/dbraw/zinc/36/34/30/598363430.db2.gz HVRBGMTYXJUFGJ-LBPRGKRZSA-N -1 3 382.384 0.903 20 0 GCADHM Cc1noc([C@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000737533901 598363432 /nfs/dbraw/zinc/36/34/32/598363432.db2.gz HVRBGMTYXJUFGJ-LBPRGKRZSA-N -1 3 382.384 0.903 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000736937461 598363462 /nfs/dbraw/zinc/36/34/62/598363462.db2.gz VNFFUGKWPTUDEF-GFCCVEGCSA-N -1 3 387.400 0.461 20 0 GCADHM COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000736937461 598363463 /nfs/dbraw/zinc/36/34/63/598363463.db2.gz VNFFUGKWPTUDEF-GFCCVEGCSA-N -1 3 387.400 0.461 20 0 GCADHM CC(C)C[C@@]1(C)NC(=O)N(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735796251 598365962 /nfs/dbraw/zinc/36/59/62/598365962.db2.gz YBEYDCLBAQDRGE-FZKQIMNGSA-N -1 3 388.428 0.963 20 0 GCADHM O=C(CCN1CCO[C@@H](Cn2cncn2)C1)Nc1ccccc1-c1nnn[n-]1 ZINC000737843591 598368851 /nfs/dbraw/zinc/36/88/51/598368851.db2.gz LDFOTXZLZVWQPE-CYBMUJFWSA-N -1 3 383.416 0.188 20 0 GCADHM O=C(CCN1CCO[C@@H](Cn2cncn2)C1)Nc1ccccc1-c1nn[n-]n1 ZINC000737843591 598368853 /nfs/dbraw/zinc/36/88/53/598368853.db2.gz LDFOTXZLZVWQPE-CYBMUJFWSA-N -1 3 383.416 0.188 20 0 GCADHM CNC(=O)C1(C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCC1 ZINC000736869899 598371300 /nfs/dbraw/zinc/37/13/00/598371300.db2.gz GFZHRQAFLSCCRP-UHFFFAOYSA-N -1 3 392.803 0.918 20 0 GCADHM CNC(=O)C1(C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCC1 ZINC000736869899 598371302 /nfs/dbraw/zinc/37/13/02/598371302.db2.gz GFZHRQAFLSCCRP-UHFFFAOYSA-N -1 3 392.803 0.918 20 0 GCADHM O=C(COC(=O)C1CC(=O)NC(=O)C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738301671 598371931 /nfs/dbraw/zinc/37/19/31/598371931.db2.gz RAIOHWLYLGYGKA-UHFFFAOYSA-N -1 3 392.759 0.055 20 0 GCADHM O=C(COC(=O)C1CC(=O)NC(=O)C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738301671 598371933 /nfs/dbraw/zinc/37/19/33/598371933.db2.gz RAIOHWLYLGYGKA-UHFFFAOYSA-N -1 3 392.759 0.055 20 0 GCADHM CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735587320 598373681 /nfs/dbraw/zinc/37/36/81/598373681.db2.gz UFOHDWPYOLCCLL-AWEZNQCLSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735587320 598373683 /nfs/dbraw/zinc/37/36/83/598373683.db2.gz UFOHDWPYOLCCLL-AWEZNQCLSA-N -1 3 399.455 0.959 20 0 GCADHM Cc1oc(NC(=O)CN2CCn3c(nnc3C3CC3)C2)c(-c2nnn[n-]2)c1C ZINC000737550660 598375848 /nfs/dbraw/zinc/37/58/48/598375848.db2.gz BMNDMSBMBQUSMZ-UHFFFAOYSA-N -1 3 383.416 1.000 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000738195314 598380255 /nfs/dbraw/zinc/38/02/55/598380255.db2.gz DNWZNDBCTIPROY-UHFFFAOYSA-N -1 3 376.380 0.801 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000738195314 598380257 /nfs/dbraw/zinc/38/02/57/598380257.db2.gz DNWZNDBCTIPROY-UHFFFAOYSA-N -1 3 376.380 0.801 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000738194646 598380538 /nfs/dbraw/zinc/38/05/38/598380538.db2.gz GJEKGRQJDGKGSE-UHFFFAOYSA-N -1 3 385.409 0.476 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000738194646 598380540 /nfs/dbraw/zinc/38/05/40/598380540.db2.gz GJEKGRQJDGKGSE-UHFFFAOYSA-N -1 3 385.409 0.476 20 0 GCADHM O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccncc1-c1nnn[n-]1 ZINC000737931187 598380651 /nfs/dbraw/zinc/38/06/51/598380651.db2.gz UHPCNUVXQKHEDN-UHFFFAOYSA-N -1 3 386.437 0.670 20 0 GCADHM O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccncc1-c1nn[n-]n1 ZINC000737931187 598380653 /nfs/dbraw/zinc/38/06/53/598380653.db2.gz UHPCNUVXQKHEDN-UHFFFAOYSA-N -1 3 386.437 0.670 20 0 GCADHM CCOC(=O)[C@@H]1CSCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736593280 598381129 /nfs/dbraw/zinc/38/11/29/598381129.db2.gz GOOBUNUMJGAOQD-ZDUSSCGKSA-N -1 3 376.442 0.786 20 0 GCADHM COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccncc2-c2nnn[n-]2)c1C ZINC000737006715 598381503 /nfs/dbraw/zinc/38/15/03/598381503.db2.gz NKNVXLNSMVINNF-UHFFFAOYSA-N -1 3 385.384 0.684 20 0 GCADHM COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccncc2-c2nn[n-]n2)c1C ZINC000737006715 598381505 /nfs/dbraw/zinc/38/15/05/598381505.db2.gz NKNVXLNSMVINNF-UHFFFAOYSA-N -1 3 385.384 0.684 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000738194661 598381925 /nfs/dbraw/zinc/38/19/25/598381925.db2.gz GUVSJHRNOUKPFX-UHFFFAOYSA-N -1 3 377.364 0.585 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000738194661 598381928 /nfs/dbraw/zinc/38/19/28/598381928.db2.gz GUVSJHRNOUKPFX-UHFFFAOYSA-N -1 3 377.364 0.585 20 0 GCADHM O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccncc1-c1nnn[n-]1 ZINC000737841530 598382106 /nfs/dbraw/zinc/38/21/06/598382106.db2.gz KROVPOFXQZQHMG-UHFFFAOYSA-N -1 3 377.364 0.699 20 0 GCADHM O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccncc1-c1nn[n-]n1 ZINC000737841530 598382107 /nfs/dbraw/zinc/38/21/07/598382107.db2.gz KROVPOFXQZQHMG-UHFFFAOYSA-N -1 3 377.364 0.699 20 0 GCADHM Cc1n[nH]cc1S(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737201615 598383194 /nfs/dbraw/zinc/38/31/94/598383194.db2.gz IFAUIKOJCLODAR-UHFFFAOYSA-N -1 3 388.457 0.405 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000738301186 598384507 /nfs/dbraw/zinc/38/45/07/598384507.db2.gz LZZSSXIUWWDWBW-CYBMUJFWSA-N -1 3 386.437 0.506 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000738301186 598384508 /nfs/dbraw/zinc/38/45/08/598384508.db2.gz LZZSSXIUWWDWBW-CYBMUJFWSA-N -1 3 386.437 0.506 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000737792624 598385021 /nfs/dbraw/zinc/38/50/21/598385021.db2.gz PWIIPPKSDTYKCP-CQSZACIVSA-N -1 3 387.469 0.803 20 0 GCADHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cs2)CCN1c1nccn2cnnc12 ZINC000820741339 607355689 /nfs/dbraw/zinc/35/56/89/607355689.db2.gz CFPQGWSLQDEHRS-JTQLQIEISA-N -1 3 396.440 0.717 20 0 GCADHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cs2)CCN1c1nccn2cnnc12 ZINC000820741339 607355690 /nfs/dbraw/zinc/35/56/90/607355690.db2.gz CFPQGWSLQDEHRS-JTQLQIEISA-N -1 3 396.440 0.717 20 0 GCADHM CCOc1ncccc1CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736655747 598401634 /nfs/dbraw/zinc/40/16/34/598401634.db2.gz FXVJXHFWFXSDQW-UHFFFAOYSA-N -1 3 381.396 0.707 20 0 GCADHM CCOc1ncccc1CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736655747 598401635 /nfs/dbraw/zinc/40/16/35/598401635.db2.gz FXVJXHFWFXSDQW-UHFFFAOYSA-N -1 3 381.396 0.707 20 0 GCADHM CCCn1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000736502322 598402970 /nfs/dbraw/zinc/40/29/70/598402970.db2.gz LTCBNERFCWHQSD-UHFFFAOYSA-N -1 3 381.396 0.807 20 0 GCADHM CCCn1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000736502322 598402972 /nfs/dbraw/zinc/40/29/72/598402972.db2.gz LTCBNERFCWHQSD-UHFFFAOYSA-N -1 3 381.396 0.807 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCN1CCc2ccccc21 ZINC000737889667 598403922 /nfs/dbraw/zinc/40/39/22/598403922.db2.gz OQFFGKKNOJWRFP-UHFFFAOYSA-N -1 3 391.435 0.775 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCN1CCc2ccccc21 ZINC000737889667 598403923 /nfs/dbraw/zinc/40/39/23/598403923.db2.gz OQFFGKKNOJWRFP-UHFFFAOYSA-N -1 3 391.435 0.775 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(NC(=O)C2CC2)CC1 ZINC000738037677 598403971 /nfs/dbraw/zinc/40/39/71/598403971.db2.gz GWQUPSKNMAFZEW-UHFFFAOYSA-N -1 3 397.439 0.114 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(NC(=O)C2CC2)CC1 ZINC000738037677 598403972 /nfs/dbraw/zinc/40/39/72/598403972.db2.gz GWQUPSKNMAFZEW-UHFFFAOYSA-N -1 3 397.439 0.114 20 0 GCADHM C[C@H](O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736150131 598404173 /nfs/dbraw/zinc/40/41/73/598404173.db2.gz WMHLMRGFZYVGNB-LBPRGKRZSA-N -1 3 380.408 0.966 20 0 GCADHM C[C@H](O)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736150131 598404175 /nfs/dbraw/zinc/40/41/75/598404175.db2.gz WMHLMRGFZYVGNB-LBPRGKRZSA-N -1 3 380.408 0.966 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000738038649 598405430 /nfs/dbraw/zinc/40/54/30/598405430.db2.gz LTBXNBAAGJZOLK-AWEZNQCLSA-N -1 3 380.412 0.726 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000738038649 598405432 /nfs/dbraw/zinc/40/54/32/598405432.db2.gz LTBXNBAAGJZOLK-AWEZNQCLSA-N -1 3 380.412 0.726 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736414579 598405652 /nfs/dbraw/zinc/40/56/52/598405652.db2.gz YAHFZKAQBDWVQR-HNNXBMFYSA-N -1 3 399.455 0.504 20 0 GCADHM CCCC(=O)N[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736414579 598405654 /nfs/dbraw/zinc/40/56/54/598405654.db2.gz YAHFZKAQBDWVQR-HNNXBMFYSA-N -1 3 399.455 0.504 20 0 GCADHM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736230002 598405700 /nfs/dbraw/zinc/40/57/00/598405700.db2.gz QGCIDRYMLVSEHL-SSDOTTSWSA-N -1 3 390.347 0.395 20 0 GCADHM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736230002 598405701 /nfs/dbraw/zinc/40/57/01/598405701.db2.gz QGCIDRYMLVSEHL-SSDOTTSWSA-N -1 3 390.347 0.395 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1nccn1C(F)F ZINC000737888774 598406250 /nfs/dbraw/zinc/40/62/50/598406250.db2.gz FIVFXJHEZIJQOB-UHFFFAOYSA-N -1 3 376.327 0.505 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1nccn1C(F)F ZINC000737888774 598406253 /nfs/dbraw/zinc/40/62/53/598406253.db2.gz FIVFXJHEZIJQOB-UHFFFAOYSA-N -1 3 376.327 0.505 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1cn2c(n1)CCCC2 ZINC000737888804 598408448 /nfs/dbraw/zinc/40/84/48/598408448.db2.gz FXZPNPHGZJJXBX-UHFFFAOYSA-N -1 3 380.412 0.446 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1cn2c(n1)CCCC2 ZINC000737888804 598408449 /nfs/dbraw/zinc/40/84/49/598408449.db2.gz FXZPNPHGZJJXBX-UHFFFAOYSA-N -1 3 380.412 0.446 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000735467297 598409280 /nfs/dbraw/zinc/40/92/80/598409280.db2.gz MAWMDBPAQKGRKK-JTQLQIEISA-N -1 3 394.413 0.480 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735467606 598409710 /nfs/dbraw/zinc/40/97/10/598409710.db2.gz RYHGBZVIWJUFBR-RNCFNFMXSA-N -1 3 390.425 0.658 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735467606 598409711 /nfs/dbraw/zinc/40/97/11/598409711.db2.gz RYHGBZVIWJUFBR-RNCFNFMXSA-N -1 3 390.425 0.658 20 0 GCADHM CN(Cc1ccco1)C(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736827968 598411053 /nfs/dbraw/zinc/41/10/53/598411053.db2.gz DTAUBAWNEFRXGS-UHFFFAOYSA-N -1 3 398.379 0.391 20 0 GCADHM CN(Cc1ccco1)C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736827968 598411054 /nfs/dbraw/zinc/41/10/54/598411054.db2.gz DTAUBAWNEFRXGS-UHFFFAOYSA-N -1 3 398.379 0.391 20 0 GCADHM CCCCn1nnnc1COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736469378 598411096 /nfs/dbraw/zinc/41/10/96/598411096.db2.gz OHFHIVKTBZGQSI-UHFFFAOYSA-N -1 3 385.388 0.127 20 0 GCADHM CCCCn1nnnc1COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736469378 598411098 /nfs/dbraw/zinc/41/10/98/598411098.db2.gz OHFHIVKTBZGQSI-UHFFFAOYSA-N -1 3 385.388 0.127 20 0 GCADHM Cc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000737270264 598411746 /nfs/dbraw/zinc/41/17/46/598411746.db2.gz DQRDFWZRVIRKFE-UHFFFAOYSA-N -1 3 385.340 0.075 20 0 GCADHM Cc1cc(NC(=O)COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000737270264 598411748 /nfs/dbraw/zinc/41/17/48/598411748.db2.gz DQRDFWZRVIRKFE-UHFFFAOYSA-N -1 3 385.340 0.075 20 0 GCADHM O=C(NCCn1c(=O)oc2ccccc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738094882 598414266 /nfs/dbraw/zinc/41/42/66/598414266.db2.gz NXQJGBIOORVFIN-UHFFFAOYSA-N -1 3 393.363 0.530 20 0 GCADHM O=C(NCCn1c(=O)oc2ccccc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738094882 598414267 /nfs/dbraw/zinc/41/42/67/598414267.db2.gz NXQJGBIOORVFIN-UHFFFAOYSA-N -1 3 393.363 0.530 20 0 GCADHM Cc1nnc(N2CCN(CCn3ccccc3=O)CC2)c(-c2nnn[n-]2)c1C ZINC000737521924 598422415 /nfs/dbraw/zinc/42/24/15/598422415.db2.gz RWGCPSIUVDDGMZ-UHFFFAOYSA-N -1 3 381.444 0.257 20 0 GCADHM Cc1nnc(N2CCN(CCn3ccccc3=O)CC2)c(-c2nn[n-]n2)c1C ZINC000737521924 598422417 /nfs/dbraw/zinc/42/24/17/598422417.db2.gz RWGCPSIUVDDGMZ-UHFFFAOYSA-N -1 3 381.444 0.257 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CC2 ZINC000282322125 598424320 /nfs/dbraw/zinc/42/43/20/598424320.db2.gz WAUJPBRNLLWSRO-SECBINFHSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CC2 ZINC000282322125 598424323 /nfs/dbraw/zinc/42/43/23/598424323.db2.gz WAUJPBRNLLWSRO-SECBINFHSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)CC2 ZINC000282322131 598424325 /nfs/dbraw/zinc/42/43/25/598424325.db2.gz WAUJPBRNLLWSRO-VIFPVBQESA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)CC2 ZINC000282322131 598424326 /nfs/dbraw/zinc/42/43/26/598424326.db2.gz WAUJPBRNLLWSRO-VIFPVBQESA-N -1 3 394.848 0.713 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000738100529 598431247 /nfs/dbraw/zinc/43/12/47/598431247.db2.gz PNYZHWVLSFRYIC-UHFFFAOYSA-N -1 3 376.384 0.842 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738100529 598431249 /nfs/dbraw/zinc/43/12/49/598431249.db2.gz PNYZHWVLSFRYIC-UHFFFAOYSA-N -1 3 376.384 0.842 20 0 GCADHM CSc1ccc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000737190039 598431369 /nfs/dbraw/zinc/43/13/69/598431369.db2.gz JPTDGFMLEFOUSV-UHFFFAOYSA-N -1 3 399.440 0.545 20 0 GCADHM CSc1ccc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000737190039 598431370 /nfs/dbraw/zinc/43/13/70/598431370.db2.gz JPTDGFMLEFOUSV-UHFFFAOYSA-N -1 3 399.440 0.545 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000735561824 598431965 /nfs/dbraw/zinc/43/19/65/598431965.db2.gz MMGDDUISNQRRNK-ZDUSSCGKSA-N -1 3 398.471 0.090 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000735561824 598431967 /nfs/dbraw/zinc/43/19/67/598431967.db2.gz MMGDDUISNQRRNK-ZDUSSCGKSA-N -1 3 398.471 0.090 20 0 GCADHM CC(C)C(=O)NCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735684035 598432023 /nfs/dbraw/zinc/43/20/23/598432023.db2.gz AEWWEZWVRIFHPN-UHFFFAOYSA-N -1 3 383.416 0.137 20 0 GCADHM CC(C)C(=O)NCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735684035 598432025 /nfs/dbraw/zinc/43/20/25/598432025.db2.gz AEWWEZWVRIFHPN-UHFFFAOYSA-N -1 3 383.416 0.137 20 0 GCADHM COC(=O)C1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736910760 598432668 /nfs/dbraw/zinc/43/26/68/598432668.db2.gz AYIRDBNTEUMDQZ-UHFFFAOYSA-N -1 3 396.411 0.660 20 0 GCADHM COC(=O)C1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000736910760 598432670 /nfs/dbraw/zinc/43/26/70/598432670.db2.gz AYIRDBNTEUMDQZ-UHFFFAOYSA-N -1 3 396.411 0.660 20 0 GCADHM NC(=O)c1cccc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)c1 ZINC000737761896 598433247 /nfs/dbraw/zinc/43/32/47/598433247.db2.gz VLEIUXXYESDRRE-UHFFFAOYSA-N -1 3 389.379 0.986 20 0 GCADHM NC(=O)c1cccc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)c1 ZINC000737761896 598433249 /nfs/dbraw/zinc/43/32/49/598433249.db2.gz VLEIUXXYESDRRE-UHFFFAOYSA-N -1 3 389.379 0.986 20 0 GCADHM C[C@@H](Cn1cccn1)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736077520 598433952 /nfs/dbraw/zinc/43/39/52/598433952.db2.gz FWPKBCLJCNWJLF-NSHDSACASA-N -1 3 378.400 0.650 20 0 GCADHM C[C@@H](Cn1cccn1)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736077520 598433954 /nfs/dbraw/zinc/43/39/54/598433954.db2.gz FWPKBCLJCNWJLF-NSHDSACASA-N -1 3 378.400 0.650 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000735474936 598434021 /nfs/dbraw/zinc/43/40/21/598434021.db2.gz LRGTUFACJKRWNM-ZDUSSCGKSA-N -1 3 395.427 0.375 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000735474936 598434023 /nfs/dbraw/zinc/43/40/23/598434023.db2.gz LRGTUFACJKRWNM-ZDUSSCGKSA-N -1 3 395.427 0.375 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000735474933 598434113 /nfs/dbraw/zinc/43/41/13/598434113.db2.gz LRGTUFACJKRWNM-CYBMUJFWSA-N -1 3 395.427 0.375 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000735474933 598434114 /nfs/dbraw/zinc/43/41/14/598434114.db2.gz LRGTUFACJKRWNM-CYBMUJFWSA-N -1 3 395.427 0.375 20 0 GCADHM CCn1cnnc1CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736721604 598434537 /nfs/dbraw/zinc/43/45/37/598434537.db2.gz HRUBOEJEZLFIPK-UHFFFAOYSA-N -1 3 379.388 0.176 20 0 GCADHM CCn1cnnc1CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736721604 598434539 /nfs/dbraw/zinc/43/45/39/598434539.db2.gz HRUBOEJEZLFIPK-UHFFFAOYSA-N -1 3 379.388 0.176 20 0 GCADHM CC[C@](C)(NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)OC ZINC000736315600 598435794 /nfs/dbraw/zinc/43/57/94/598435794.db2.gz PFRFAGNUEUETRZ-KRWDZBQOSA-N -1 3 384.400 0.706 20 0 GCADHM CC[C@](C)(NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)OC ZINC000736315600 598435795 /nfs/dbraw/zinc/43/57/95/598435795.db2.gz PFRFAGNUEUETRZ-KRWDZBQOSA-N -1 3 384.400 0.706 20 0 GCADHM C[C@@H]1CN(CCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CCO1 ZINC000736288625 598437353 /nfs/dbraw/zinc/43/73/53/598437353.db2.gz SFMUBVYJDGUWMQ-GFCCVEGCSA-N -1 3 397.443 0.085 20 0 GCADHM C[C@@H]1CN(CCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CCO1 ZINC000736288625 598437355 /nfs/dbraw/zinc/43/73/55/598437355.db2.gz SFMUBVYJDGUWMQ-GFCCVEGCSA-N -1 3 397.443 0.085 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)Nc2nnc3ccccn32)cc1 ZINC000737778445 598437490 /nfs/dbraw/zinc/43/74/90/598437490.db2.gz ZCLCUJORAMYZFD-UHFFFAOYSA-N -1 3 387.367 0.930 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)Nc2nnc3ccccn32)cc1 ZINC000737778445 598437491 /nfs/dbraw/zinc/43/74/91/598437491.db2.gz ZCLCUJORAMYZFD-UHFFFAOYSA-N -1 3 387.367 0.930 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738052188 598439086 /nfs/dbraw/zinc/43/90/86/598439086.db2.gz RYPYLUBQOIFUPZ-INIZCTEOSA-N -1 3 379.424 0.893 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738052188 598439087 /nfs/dbraw/zinc/43/90/87/598439087.db2.gz RYPYLUBQOIFUPZ-INIZCTEOSA-N -1 3 379.424 0.893 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736770302 598440878 /nfs/dbraw/zinc/44/08/78/598440878.db2.gz ISZKCCOROKDJEN-UHFFFAOYSA-N -1 3 387.425 0.442 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736770302 598440879 /nfs/dbraw/zinc/44/08/79/598440879.db2.gz ISZKCCOROKDJEN-UHFFFAOYSA-N -1 3 387.425 0.442 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000736170066 598443457 /nfs/dbraw/zinc/44/34/57/598443457.db2.gz REZNPLDLVPYDGB-LLVKDONJSA-N -1 3 384.400 0.557 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000736188423 598443478 /nfs/dbraw/zinc/44/34/78/598443478.db2.gz NVXQOSUSJYQYFR-NSHDSACASA-N -1 3 384.400 0.557 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000736188423 598443480 /nfs/dbraw/zinc/44/34/80/598443480.db2.gz NVXQOSUSJYQYFR-NSHDSACASA-N -1 3 384.400 0.557 20 0 GCADHM NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737746933 598447254 /nfs/dbraw/zinc/44/72/54/598447254.db2.gz UQXQIQQJTZZYPC-INIZCTEOSA-N -1 3 392.423 0.964 20 0 GCADHM NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737746933 598447256 /nfs/dbraw/zinc/44/72/56/598447256.db2.gz UQXQIQQJTZZYPC-INIZCTEOSA-N -1 3 392.423 0.964 20 0 GCADHM O=C(c1sccc1-c1nnn[n-]1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000737793049 598447531 /nfs/dbraw/zinc/44/75/31/598447531.db2.gz VOZKLMRTWJEZGY-GFCCVEGCSA-N -1 3 376.442 0.782 20 0 GCADHM O=C(c1sccc1-c1nn[n-]n1)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000737793049 598447532 /nfs/dbraw/zinc/44/75/32/598447532.db2.gz VOZKLMRTWJEZGY-GFCCVEGCSA-N -1 3 376.442 0.782 20 0 GCADHM Cc1cnn(CCC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737447497 598447567 /nfs/dbraw/zinc/44/75/67/598447567.db2.gz CUWYEEOQQFXKPC-UHFFFAOYSA-N -1 3 381.444 0.942 20 0 GCADHM Cc1cnn(CCC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737447497 598447568 /nfs/dbraw/zinc/44/75/68/598447568.db2.gz CUWYEEOQQFXKPC-UHFFFAOYSA-N -1 3 381.444 0.942 20 0 GCADHM CN1CC[C@@H](C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1=O ZINC000736849382 598448076 /nfs/dbraw/zinc/44/80/76/598448076.db2.gz SYORLFQUFBIHSQ-GFCCVEGCSA-N -1 3 384.444 0.215 20 0 GCADHM CN1CC[C@@H](C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1=O ZINC000736849382 598448077 /nfs/dbraw/zinc/44/80/77/598448077.db2.gz SYORLFQUFBIHSQ-GFCCVEGCSA-N -1 3 384.444 0.215 20 0 GCADHM Cn1cc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ccc1=O ZINC000737602300 598449009 /nfs/dbraw/zinc/44/90/09/598449009.db2.gz IUVZQDUOWWMVEV-UHFFFAOYSA-N -1 3 380.412 0.359 20 0 GCADHM Cn1cc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ccc1=O ZINC000737602300 598449011 /nfs/dbraw/zinc/44/90/11/598449011.db2.gz IUVZQDUOWWMVEV-UHFFFAOYSA-N -1 3 380.412 0.359 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000738031220 598449764 /nfs/dbraw/zinc/44/97/64/598449764.db2.gz ASHOIYKASITLCS-CYBMUJFWSA-N -1 3 396.455 0.358 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000738031220 598449766 /nfs/dbraw/zinc/44/97/66/598449766.db2.gz ASHOIYKASITLCS-CYBMUJFWSA-N -1 3 396.455 0.358 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(C[C@@H]2CCCCO2)CC1 ZINC000738346992 598451048 /nfs/dbraw/zinc/45/10/48/598451048.db2.gz BSWJBZPSQUIKBU-HNNXBMFYSA-N -1 3 392.485 0.742 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(C[C@@H]2CCCCO2)CC1 ZINC000738346992 598451049 /nfs/dbraw/zinc/45/10/49/598451049.db2.gz BSWJBZPSQUIKBU-HNNXBMFYSA-N -1 3 392.485 0.742 20 0 GCADHM COc1cccc(N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)CC2=O)c1 ZINC000737140087 598451276 /nfs/dbraw/zinc/45/12/76/598451276.db2.gz OUCVIEHJKZWRPW-LBPRGKRZSA-N -1 3 379.380 0.806 20 0 GCADHM COc1cccc(N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)CC2=O)c1 ZINC000737140087 598451277 /nfs/dbraw/zinc/45/12/77/598451277.db2.gz OUCVIEHJKZWRPW-LBPRGKRZSA-N -1 3 379.380 0.806 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CSC[C@H]1C(=O)N(C)C ZINC000736171172 598453047 /nfs/dbraw/zinc/45/30/47/598453047.db2.gz UJUGJPLRQPFBCI-MFKMUULPSA-N -1 3 376.442 0.624 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CSC[C@H]1C(=O)N(C)C ZINC000737022910 598453666 /nfs/dbraw/zinc/45/36/66/598453666.db2.gz DTPXZWYSEOSEDV-NSHDSACASA-N -1 3 392.441 0.244 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CSC[C@H]1C(=O)N(C)C ZINC000737022910 598453667 /nfs/dbraw/zinc/45/36/67/598453667.db2.gz DTPXZWYSEOSEDV-NSHDSACASA-N -1 3 392.441 0.244 20 0 GCADHM Cc1ccc(-n2nc(CCCNC(=O)CN(C)C)c(-c3nnn[n-]3)c2N)cc1 ZINC000737306835 598454215 /nfs/dbraw/zinc/45/42/15/598454215.db2.gz UCTMNNZQWAVILL-UHFFFAOYSA-N -1 3 383.460 0.553 20 0 GCADHM CCOC(=O)C(C)(C)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736587643 598455865 /nfs/dbraw/zinc/45/58/65/598455865.db2.gz XZGOUYIEWGWBKQ-UHFFFAOYSA-N -1 3 384.400 0.706 20 0 GCADHM CCOC(=O)C(C)(C)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736587643 598455866 /nfs/dbraw/zinc/45/58/66/598455866.db2.gz XZGOUYIEWGWBKQ-UHFFFAOYSA-N -1 3 384.400 0.706 20 0 GCADHM CC(C)(C)c1ccc(=O)n(CN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000735647909 598455993 /nfs/dbraw/zinc/45/59/93/598455993.db2.gz HGTHCOYKCNAQFZ-UHFFFAOYSA-N -1 3 395.471 0.896 20 0 GCADHM CC(C)(C)c1ccc(=O)n(CN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000735647909 598455995 /nfs/dbraw/zinc/45/59/95/598455995.db2.gz HGTHCOYKCNAQFZ-UHFFFAOYSA-N -1 3 395.471 0.896 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)s1 ZINC000737759051 598456600 /nfs/dbraw/zinc/45/66/00/598456600.db2.gz FWQVOJAHEKDFJT-UHFFFAOYSA-N -1 3 398.452 0.821 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)s1 ZINC000737759051 598456601 /nfs/dbraw/zinc/45/66/01/598456601.db2.gz FWQVOJAHEKDFJT-UHFFFAOYSA-N -1 3 398.452 0.821 20 0 GCADHM C[C@]1(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)NC(=O)NC1=O ZINC000736223100 598458918 /nfs/dbraw/zinc/45/89/18/598458918.db2.gz MQRBGLKTDHHNCY-QGZVFWFLSA-N -1 3 378.352 0.569 20 0 GCADHM C[C@]1(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)NC(=O)NC1=O ZINC000736223100 598458920 /nfs/dbraw/zinc/45/89/20/598458920.db2.gz MQRBGLKTDHHNCY-QGZVFWFLSA-N -1 3 378.352 0.569 20 0 GCADHM COC(=O)NCCCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736938955 598459632 /nfs/dbraw/zinc/45/96/32/598459632.db2.gz WWTBRQYOPNFFRX-UHFFFAOYSA-N -1 3 391.407 0.791 20 0 GCADHM COC(=O)NCCCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736938955 598459633 /nfs/dbraw/zinc/45/96/33/598459633.db2.gz WWTBRQYOPNFFRX-UHFFFAOYSA-N -1 3 391.407 0.791 20 0 GCADHM c1ncn(-c2cncc(NC3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)n2)n1 ZINC000738450833 598460165 /nfs/dbraw/zinc/46/01/65/598460165.db2.gz YBPGYTUZJWFMHW-UHFFFAOYSA-N -1 3 390.415 0.713 20 0 GCADHM c1ncn(-c2cncc(NC3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)n2)n1 ZINC000738450833 598460167 /nfs/dbraw/zinc/46/01/67/598460167.db2.gz YBPGYTUZJWFMHW-UHFFFAOYSA-N -1 3 390.415 0.713 20 0 GCADHM Cn1ccnc1[C@](O)(CCNC(=O)c1ccc(-c2nnn[n-]2)cn1)C(F)(F)F ZINC000737615852 598460667 /nfs/dbraw/zinc/46/06/67/598460667.db2.gz MPIQZPMRSYYUCM-CQSZACIVSA-N -1 3 396.333 0.565 20 0 GCADHM Cn1ccnc1[C@](O)(CCNC(=O)c1ccc(-c2nn[n-]n2)cn1)C(F)(F)F ZINC000737615852 598460668 /nfs/dbraw/zinc/46/06/68/598460668.db2.gz MPIQZPMRSYYUCM-CQSZACIVSA-N -1 3 396.333 0.565 20 0 GCADHM C[C@@]1(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)NC(=O)NC1=O ZINC000736224274 598462744 /nfs/dbraw/zinc/46/27/44/598462744.db2.gz ROFYFZUVAYUEBB-SFHVURJKSA-N -1 3 392.379 0.246 20 0 GCADHM C[C@@]1(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)NC(=O)NC1=O ZINC000736224274 598462745 /nfs/dbraw/zinc/46/27/45/598462745.db2.gz ROFYFZUVAYUEBB-SFHVURJKSA-N -1 3 392.379 0.246 20 0 GCADHM O=C(CN1CCCC[C@@H]1C(=O)N1CCOCC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737879505 598463756 /nfs/dbraw/zinc/46/37/56/598463756.db2.gz VIWIMVNNHDANJU-MRXNPFEDSA-N -1 3 399.455 0.519 20 0 GCADHM O=C(CN1CCCC[C@@H]1C(=O)N1CCOCC1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737879505 598463757 /nfs/dbraw/zinc/46/37/57/598463757.db2.gz VIWIMVNNHDANJU-MRXNPFEDSA-N -1 3 399.455 0.519 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735536287 598463823 /nfs/dbraw/zinc/46/38/23/598463823.db2.gz CSIWPEJGRYJEDP-CYBMUJFWSA-N -1 3 398.471 0.467 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735536287 598463825 /nfs/dbraw/zinc/46/38/25/598463825.db2.gz CSIWPEJGRYJEDP-CYBMUJFWSA-N -1 3 398.471 0.467 20 0 GCADHM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735963722 598464227 /nfs/dbraw/zinc/46/42/27/598464227.db2.gz KVBUNNSUYMHKBE-GFCCVEGCSA-N -1 3 392.489 0.359 20 0 GCADHM C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735963722 598464229 /nfs/dbraw/zinc/46/42/29/598464229.db2.gz KVBUNNSUYMHKBE-GFCCVEGCSA-N -1 3 392.489 0.359 20 0 GCADHM COCCN1CC[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)C1 ZINC000737008004 598466345 /nfs/dbraw/zinc/46/63/45/598466345.db2.gz RPDCGSKIWKDQFN-CYBMUJFWSA-N -1 3 389.460 0.354 20 0 GCADHM COCCN1CC[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000737008004 598466346 /nfs/dbraw/zinc/46/63/46/598466346.db2.gz RPDCGSKIWKDQFN-CYBMUJFWSA-N -1 3 389.460 0.354 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737742870 598467889 /nfs/dbraw/zinc/46/78/89/598467889.db2.gz HQJGAXDZTDXBRY-QGZVFWFLSA-N -1 3 378.392 0.857 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737742870 598467890 /nfs/dbraw/zinc/46/78/90/598467890.db2.gz HQJGAXDZTDXBRY-QGZVFWFLSA-N -1 3 378.392 0.857 20 0 GCADHM O=C(NC[C@@H]1CCCOC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738047781 598470875 /nfs/dbraw/zinc/47/08/75/598470875.db2.gz AVNWACHRVQXMQL-ZDUSSCGKSA-N -1 3 386.460 0.956 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737747666 598470898 /nfs/dbraw/zinc/47/08/98/598470898.db2.gz WGMGRVRAGZHOTH-QAPCUYQASA-N -1 3 394.435 0.691 20 0 GCADHM O=C(NC[C@@H]1CCCOC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738047781 598470876 /nfs/dbraw/zinc/47/08/76/598470876.db2.gz AVNWACHRVQXMQL-ZDUSSCGKSA-N -1 3 386.460 0.956 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000735794695 598470892 /nfs/dbraw/zinc/47/08/92/598470892.db2.gz BBXZOXSBEAJGOQ-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000735794695 598470894 /nfs/dbraw/zinc/47/08/94/598470894.db2.gz BBXZOXSBEAJGOQ-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM COC1CCN(C(C)(C)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736961352 598472052 /nfs/dbraw/zinc/47/20/52/598472052.db2.gz KISSAUYZXODPSI-UHFFFAOYSA-N -1 3 395.489 0.429 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737748493 598472325 /nfs/dbraw/zinc/47/23/25/598472325.db2.gz ZRFBYDRHOIWZCE-HNNXBMFYSA-N -1 3 384.421 0.640 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737748493 598472326 /nfs/dbraw/zinc/47/23/26/598472326.db2.gz ZRFBYDRHOIWZCE-HNNXBMFYSA-N -1 3 384.421 0.640 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737748496 598472328 /nfs/dbraw/zinc/47/23/28/598472328.db2.gz ZRFBYDRHOIWZCE-OAHLLOKOSA-N -1 3 384.421 0.640 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737748496 598472329 /nfs/dbraw/zinc/47/23/29/598472329.db2.gz ZRFBYDRHOIWZCE-OAHLLOKOSA-N -1 3 384.421 0.640 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736910644 598474652 /nfs/dbraw/zinc/47/46/52/598474652.db2.gz QEDVUFATSRRONT-NXEZZACHSA-N -1 3 379.760 0.811 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736910644 598474654 /nfs/dbraw/zinc/47/46/54/598474654.db2.gz QEDVUFATSRRONT-NXEZZACHSA-N -1 3 379.760 0.811 20 0 GCADHM O=C(c1cccc(O)c1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738274707 598474729 /nfs/dbraw/zinc/47/47/29/598474729.db2.gz WVRBLKMYPDXAPY-UHFFFAOYSA-N -1 3 379.380 0.566 20 0 GCADHM O=C(c1cccc(O)c1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738274707 598474730 /nfs/dbraw/zinc/47/47/30/598474730.db2.gz WVRBLKMYPDXAPY-UHFFFAOYSA-N -1 3 379.380 0.566 20 0 GCADHM O=C(NCCn1ncnn1)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823229502 607358084 /nfs/dbraw/zinc/35/80/84/607358084.db2.gz VOQPSDSKHQGUHY-UHFFFAOYSA-N -1 3 391.395 0.862 20 0 GCADHM O=C(NCCn1ncnn1)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823229502 607358086 /nfs/dbraw/zinc/35/80/86/607358086.db2.gz VOQPSDSKHQGUHY-UHFFFAOYSA-N -1 3 391.395 0.862 20 0 GCADHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)ccc1S(N)(=O)=O ZINC000737236784 598475567 /nfs/dbraw/zinc/47/55/67/598475567.db2.gz RTNWXSZOCYPCMZ-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)ccc1S(N)(=O)=O ZINC000737236784 598475568 /nfs/dbraw/zinc/47/55/68/598475568.db2.gz RTNWXSZOCYPCMZ-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)NCCOc1cccc(F)c1 ZINC000737908174 598476844 /nfs/dbraw/zinc/47/68/44/598476844.db2.gz JAQLJXKFJXWQOQ-UHFFFAOYSA-N -1 3 386.343 0.753 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)NCCOc1cccc(F)c1 ZINC000737908174 598476846 /nfs/dbraw/zinc/47/68/46/598476846.db2.gz JAQLJXKFJXWQOQ-UHFFFAOYSA-N -1 3 386.343 0.753 20 0 GCADHM COC(=O)c1sccc1NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736955798 598478500 /nfs/dbraw/zinc/47/85/00/598478500.db2.gz AMIULRDWEQUYAF-UHFFFAOYSA-N -1 3 388.365 0.905 20 0 GCADHM COC(=O)c1sccc1NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736955798 598478501 /nfs/dbraw/zinc/47/85/01/598478501.db2.gz AMIULRDWEQUYAF-UHFFFAOYSA-N -1 3 388.365 0.905 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736271939 598479334 /nfs/dbraw/zinc/47/93/34/598479334.db2.gz PJFXSVBSHADCBR-JQWIXIFHSA-N -1 3 387.400 0.823 20 0 GCADHM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736271939 598479336 /nfs/dbraw/zinc/47/93/36/598479336.db2.gz PJFXSVBSHADCBR-JQWIXIFHSA-N -1 3 387.400 0.823 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736099769 598479464 /nfs/dbraw/zinc/47/94/64/598479464.db2.gz WGQWYXXCMUIUJR-LBPRGKRZSA-N -1 3 397.447 0.210 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736099769 598479465 /nfs/dbraw/zinc/47/94/65/598479465.db2.gz WGQWYXXCMUIUJR-LBPRGKRZSA-N -1 3 397.447 0.210 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000736160931 598479555 /nfs/dbraw/zinc/47/95/55/598479555.db2.gz UEFHMLNXJUFYTP-JTQLQIEISA-N -1 3 393.363 0.792 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000736160931 598479557 /nfs/dbraw/zinc/47/95/57/598479557.db2.gz UEFHMLNXJUFYTP-JTQLQIEISA-N -1 3 393.363 0.792 20 0 GCADHM CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)OC ZINC000736333204 598479591 /nfs/dbraw/zinc/47/95/91/598479591.db2.gz TYQSLACHHREDTC-ZANVPECISA-N -1 3 376.373 0.122 20 0 GCADHM CC[C@H](C)[C@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)OC ZINC000736333204 598479593 /nfs/dbraw/zinc/47/95/93/598479593.db2.gz TYQSLACHHREDTC-ZANVPECISA-N -1 3 376.373 0.122 20 0 GCADHM COC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736948725 598482403 /nfs/dbraw/zinc/48/24/03/598482403.db2.gz OZGJAJPYIHPCSZ-UHFFFAOYSA-N -1 3 382.336 0.844 20 0 GCADHM COC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736948725 598482404 /nfs/dbraw/zinc/48/24/04/598482404.db2.gz OZGJAJPYIHPCSZ-UHFFFAOYSA-N -1 3 382.336 0.844 20 0 GCADHM COc1ccccc1CCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737150751 598482735 /nfs/dbraw/zinc/48/27/35/598482735.db2.gz UMLKNYVDOLGMJX-UHFFFAOYSA-N -1 3 382.380 0.786 20 0 GCADHM COc1ccccc1CCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737150751 598482736 /nfs/dbraw/zinc/48/27/36/598482736.db2.gz UMLKNYVDOLGMJX-UHFFFAOYSA-N -1 3 382.380 0.786 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826432798 607358374 /nfs/dbraw/zinc/35/83/74/607358374.db2.gz LIYJNOGVRPCDPJ-CVEARBPZSA-N -1 3 384.440 0.872 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826432798 607358376 /nfs/dbraw/zinc/35/83/76/607358376.db2.gz LIYJNOGVRPCDPJ-CVEARBPZSA-N -1 3 384.440 0.872 20 0 GCADHM C[C@H](OC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736149544 598490187 /nfs/dbraw/zinc/49/01/87/598490187.db2.gz HDJUPMUULUAQHA-TVRMLOFPSA-N -1 3 382.380 0.582 20 0 GCADHM C[C@H](OC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736149544 598490188 /nfs/dbraw/zinc/49/01/88/598490188.db2.gz HDJUPMUULUAQHA-TVRMLOFPSA-N -1 3 382.380 0.582 20 0 GCADHM C[C@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736235257 598500916 /nfs/dbraw/zinc/50/09/16/598500916.db2.gz FGVJCKCQVNFQBS-NHYWBVRUSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H]1C[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736235257 598500917 /nfs/dbraw/zinc/50/09/17/598500917.db2.gz FGVJCKCQVNFQBS-NHYWBVRUSA-N -1 3 390.469 0.792 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737746236 598505859 /nfs/dbraw/zinc/50/58/59/598505859.db2.gz QDTQUIJYCBBJBB-ZDUSSCGKSA-N -1 3 384.421 0.720 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737746236 598505860 /nfs/dbraw/zinc/50/58/60/598505860.db2.gz QDTQUIJYCBBJBB-ZDUSSCGKSA-N -1 3 384.421 0.720 20 0 GCADHM CC(C)(C)OC(=O)NCCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735636137 598506352 /nfs/dbraw/zinc/50/63/52/598506352.db2.gz PVMCDGPPHCROPG-UHFFFAOYSA-N -1 3 382.446 0.811 20 0 GCADHM CC(C)(C)OC(=O)NCCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735636137 598506354 /nfs/dbraw/zinc/50/63/54/598506354.db2.gz PVMCDGPPHCROPG-UHFFFAOYSA-N -1 3 382.446 0.811 20 0 GCADHM O=C(Cc1csc(-c2nc[nH]n2)n1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737977404 598507101 /nfs/dbraw/zinc/50/71/01/598507101.db2.gz CWKIPTIVSDSACQ-UHFFFAOYSA-N -1 3 397.428 0.274 20 0 GCADHM O=C(Cc1csc(-c2nc[nH]n2)n1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737977404 598507102 /nfs/dbraw/zinc/50/71/02/598507102.db2.gz CWKIPTIVSDSACQ-UHFFFAOYSA-N -1 3 397.428 0.274 20 0 GCADHM NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737729726 598507680 /nfs/dbraw/zinc/50/76/80/598507680.db2.gz CBPDQYXIPBZJII-OAHLLOKOSA-N -1 3 386.437 0.383 20 0 GCADHM NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737729726 598507682 /nfs/dbraw/zinc/50/76/82/598507682.db2.gz CBPDQYXIPBZJII-OAHLLOKOSA-N -1 3 386.437 0.383 20 0 GCADHM COC(=O)N1CCC[C@@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736935609 598508696 /nfs/dbraw/zinc/50/86/96/598508696.db2.gz JCZKFNLJGABKJB-CYBMUJFWSA-N -1 3 380.430 0.517 20 0 GCADHM COC(=O)N1CCC[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736935609 598508699 /nfs/dbraw/zinc/50/86/99/598508699.db2.gz JCZKFNLJGABKJB-CYBMUJFWSA-N -1 3 380.430 0.517 20 0 GCADHM O=C1NCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H]1c1ccccc1 ZINC000738320008 598509002 /nfs/dbraw/zinc/50/90/02/598509002.db2.gz RDKKOGVHLKNOMG-MRXNPFEDSA-N -1 3 398.448 0.870 20 0 GCADHM O=C1NCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1c1ccccc1 ZINC000738320008 598509004 /nfs/dbraw/zinc/50/90/04/598509004.db2.gz RDKKOGVHLKNOMG-MRXNPFEDSA-N -1 3 398.448 0.870 20 0 GCADHM CC(=O)N1CCC(CNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735460244 598509413 /nfs/dbraw/zinc/50/94/13/598509413.db2.gz FDQCCKRXKZJTML-UHFFFAOYSA-N -1 3 378.458 0.545 20 0 GCADHM CC(=O)N1CCC(CNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735460244 598509415 /nfs/dbraw/zinc/50/94/15/598509415.db2.gz FDQCCKRXKZJTML-UHFFFAOYSA-N -1 3 378.458 0.545 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)COCC(=O)NCc1cccnc1 ZINC000736814228 598510800 /nfs/dbraw/zinc/51/08/00/598510800.db2.gz PCKAWELHVSAPGR-UHFFFAOYSA-N -1 3 395.423 0.553 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)COCC(=O)NCc1cccnc1 ZINC000736814228 598510801 /nfs/dbraw/zinc/51/08/01/598510801.db2.gz PCKAWELHVSAPGR-UHFFFAOYSA-N -1 3 395.423 0.553 20 0 GCADHM NC(=O)NCc1ccc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000737755626 598512819 /nfs/dbraw/zinc/51/28/19/598512819.db2.gz NRYSSKHGRJGZDF-UHFFFAOYSA-N -1 3 382.384 0.699 20 0 GCADHM NC(=O)NCc1ccc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000737755626 598512821 /nfs/dbraw/zinc/51/28/21/598512821.db2.gz NRYSSKHGRJGZDF-UHFFFAOYSA-N -1 3 382.384 0.699 20 0 GCADHM CCc1c(C)sc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1-c1nnn[n-]1 ZINC000736674130 598517178 /nfs/dbraw/zinc/51/71/78/598517178.db2.gz AARHPKBLYNYYEI-UHFFFAOYSA-N -1 3 399.440 0.881 20 0 GCADHM CCc1c(C)sc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1-c1nn[n-]n1 ZINC000736674130 598517180 /nfs/dbraw/zinc/51/71/80/598517180.db2.gz AARHPKBLYNYYEI-UHFFFAOYSA-N -1 3 399.440 0.881 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nnn[n-]1)c1ccc2c(c1)COC2 ZINC000738337865 598526524 /nfs/dbraw/zinc/52/65/24/598526524.db2.gz HRIMSJSLMALINC-UHFFFAOYSA-N -1 3 387.425 0.682 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nn[n-]n1)c1ccc2c(c1)COC2 ZINC000738337865 598526525 /nfs/dbraw/zinc/52/65/25/598526525.db2.gz HRIMSJSLMALINC-UHFFFAOYSA-N -1 3 387.425 0.682 20 0 GCADHM Cc1ccn2ncc(C(=O)OCC(=O)NCc3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737435720 598533212 /nfs/dbraw/zinc/53/32/12/598533212.db2.gz IEXBGWHYZSNRBI-UHFFFAOYSA-N -1 3 392.379 0.691 20 0 GCADHM Cc1ccn2ncc(C(=O)OCC(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737435720 598533213 /nfs/dbraw/zinc/53/32/13/598533213.db2.gz IEXBGWHYZSNRBI-UHFFFAOYSA-N -1 3 392.379 0.691 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737162378 598534006 /nfs/dbraw/zinc/53/40/06/598534006.db2.gz QDMDUEYGDVNJBR-UHFFFAOYSA-N -1 3 396.448 0.479 20 0 GCADHM C[C@@H](NC(=O)COCC(=O)NCc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736105222 598536280 /nfs/dbraw/zinc/53/62/80/598536280.db2.gz MVLAUTUSHRAZMK-CYBMUJFWSA-N -1 3 395.423 0.772 20 0 GCADHM C[C@@H](NC(=O)COCC(=O)NCc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736105222 598536282 /nfs/dbraw/zinc/53/62/82/598536282.db2.gz MVLAUTUSHRAZMK-CYBMUJFWSA-N -1 3 395.423 0.772 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735748924 598536460 /nfs/dbraw/zinc/53/64/60/598536460.db2.gz ZAORPOGDMFWRIU-LBPRGKRZSA-N -1 3 391.819 0.442 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735748924 598536462 /nfs/dbraw/zinc/53/64/62/598536462.db2.gz ZAORPOGDMFWRIU-LBPRGKRZSA-N -1 3 391.819 0.442 20 0 GCADHM O=C(NCc1nccn1CC(F)(F)F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738123696 598536798 /nfs/dbraw/zinc/53/67/98/598536798.db2.gz ZXEKHVWMWQMYBD-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM O=C(NCc1nccn1CC(F)(F)F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738123696 598536800 /nfs/dbraw/zinc/53/68/00/598536800.db2.gz ZXEKHVWMWQMYBD-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM Cn1cc(-c2cncc(C(=O)NCCNc3ncccc3-c3nnn[n-]3)c2)cn1 ZINC000737593129 598536919 /nfs/dbraw/zinc/53/69/19/598536919.db2.gz QYDZAJKXMJCMCW-UHFFFAOYSA-N -1 3 390.411 0.899 20 0 GCADHM Cn1cc(-c2cncc(C(=O)NCCNc3ncccc3-c3nn[n-]n3)c2)cn1 ZINC000737593129 598536920 /nfs/dbraw/zinc/53/69/20/598536920.db2.gz QYDZAJKXMJCMCW-UHFFFAOYSA-N -1 3 390.411 0.899 20 0 GCADHM CN1C(=S)N=NC1CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737596358 598541981 /nfs/dbraw/zinc/54/19/81/598541981.db2.gz MPDGGTVCGHQPOM-LBPRGKRZSA-N -1 3 385.457 0.569 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCC(=O)NCC2CCC2)cc1 ZINC000737778449 598542598 /nfs/dbraw/zinc/54/25/98/598542598.db2.gz ZGRQBBQMZORKJO-UHFFFAOYSA-N -1 3 396.411 0.708 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCC(=O)NCC2CCC2)cc1 ZINC000737778449 598542599 /nfs/dbraw/zinc/54/25/99/598542599.db2.gz ZGRQBBQMZORKJO-UHFFFAOYSA-N -1 3 396.411 0.708 20 0 GCADHM C[C@H](OC(=O)CCCS(C)(=O)=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736148041 598543512 /nfs/dbraw/zinc/54/35/12/598543512.db2.gz FJUCUNGDPPYKHV-JTQLQIEISA-N -1 3 381.414 0.562 20 0 GCADHM C[C@H](OC(=O)CCCS(C)(=O)=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736148041 598543514 /nfs/dbraw/zinc/54/35/14/598543514.db2.gz FJUCUNGDPPYKHV-JTQLQIEISA-N -1 3 381.414 0.562 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)Nc1cccnc1-n1cncn1 ZINC000738084041 598543795 /nfs/dbraw/zinc/54/37/95/598543795.db2.gz YSQGOEJUFOHHGY-UHFFFAOYSA-N -1 3 392.387 0.471 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)Nc1cccnc1-n1cncn1 ZINC000738084041 598543796 /nfs/dbraw/zinc/54/37/96/598543796.db2.gz YSQGOEJUFOHHGY-UHFFFAOYSA-N -1 3 392.387 0.471 20 0 GCADHM COCCS(=O)(=O)CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737014825 598545042 /nfs/dbraw/zinc/54/50/42/598545042.db2.gz RENWDUXPFJVZGD-UHFFFAOYSA-N -1 3 391.356 0.468 20 0 GCADHM Cn1cc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)c(=O)[nH]c1=O ZINC000737604542 598545874 /nfs/dbraw/zinc/54/58/74/598545874.db2.gz XFEKVEIABGRUTF-UHFFFAOYSA-N -1 3 379.283 0.520 20 0 GCADHM Cn1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(=O)[nH]c1=O ZINC000737604542 598545876 /nfs/dbraw/zinc/54/58/76/598545876.db2.gz XFEKVEIABGRUTF-UHFFFAOYSA-N -1 3 379.283 0.520 20 0 GCADHM CO[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C1 ZINC000736962600 598551487 /nfs/dbraw/zinc/55/14/87/598551487.db2.gz PLYBZDCIERIQGW-KSSFIOAISA-N -1 3 385.428 0.702 20 0 GCADHM CO[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736962600 598551489 /nfs/dbraw/zinc/55/14/89/598551489.db2.gz PLYBZDCIERIQGW-KSSFIOAISA-N -1 3 385.428 0.702 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN(CC(C)(C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000737548984 598553027 /nfs/dbraw/zinc/55/30/27/598553027.db2.gz SXEHAEMRVPGAIU-GFCCVEGCSA-N -1 3 391.476 0.792 20 0 GCADHM O=Cc1ccccc1S(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738316957 598555152 /nfs/dbraw/zinc/55/51/52/598555152.db2.gz IMHPBYFSCNEVCZ-UHFFFAOYSA-N -1 3 399.436 0.585 20 0 GCADHM O=Cc1ccccc1S(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738316957 598555154 /nfs/dbraw/zinc/55/51/54/598555154.db2.gz IMHPBYFSCNEVCZ-UHFFFAOYSA-N -1 3 399.436 0.585 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735624235 598555565 /nfs/dbraw/zinc/55/55/65/598555565.db2.gz ZOPYWBHQLSFWOI-UHFFFAOYSA-N -1 3 375.437 0.278 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735624235 598555567 /nfs/dbraw/zinc/55/55/67/598555567.db2.gz ZOPYWBHQLSFWOI-UHFFFAOYSA-N -1 3 375.437 0.278 20 0 GCADHM O=Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738316950 598555598 /nfs/dbraw/zinc/55/55/98/598555598.db2.gz ICQAAWCOOLHXRC-UHFFFAOYSA-N -1 3 399.436 0.585 20 0 GCADHM O=Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738316950 598555600 /nfs/dbraw/zinc/55/56/00/598555600.db2.gz ICQAAWCOOLHXRC-UHFFFAOYSA-N -1 3 399.436 0.585 20 0 GCADHM CCC(CC)N1C[C@H](C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1=O ZINC000736345793 598557005 /nfs/dbraw/zinc/55/70/05/598557005.db2.gz LOAOXQFSEZMQHZ-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CCC(CC)N1C[C@H](C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1=O ZINC000736345793 598557007 /nfs/dbraw/zinc/55/70/07/598557007.db2.gz LOAOXQFSEZMQHZ-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736451592 598557652 /nfs/dbraw/zinc/55/76/52/598557652.db2.gz NGLPZPNSBIUZLS-UHFFFAOYSA-N -1 3 395.441 0.953 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736451592 598557654 /nfs/dbraw/zinc/55/76/54/598557654.db2.gz NGLPZPNSBIUZLS-UHFFFAOYSA-N -1 3 395.441 0.953 20 0 GCADHM C[C@@H]1COCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736292444 598563560 /nfs/dbraw/zinc/56/35/60/598563560.db2.gz IYJPUDFQSLBUCL-MRVPVSSYSA-N -1 3 382.327 0.654 20 0 GCADHM C[C@@H]1COCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736292444 598563562 /nfs/dbraw/zinc/56/35/62/598563562.db2.gz IYJPUDFQSLBUCL-MRVPVSSYSA-N -1 3 382.327 0.654 20 0 GCADHM CN(C)C(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736746488 598563759 /nfs/dbraw/zinc/56/37/59/598563759.db2.gz JGSUXPOFMDJOEZ-UHFFFAOYSA-N -1 3 397.342 0.001 20 0 GCADHM CN(C)C(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736746488 598563760 /nfs/dbraw/zinc/56/37/60/598563760.db2.gz JGSUXPOFMDJOEZ-UHFFFAOYSA-N -1 3 397.342 0.001 20 0 GCADHM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736574988 598564023 /nfs/dbraw/zinc/56/40/23/598564023.db2.gz WRBBRAHENVVFMR-SSDOTTSWSA-N -1 3 397.342 0.047 20 0 GCADHM CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736574988 598564025 /nfs/dbraw/zinc/56/40/25/598564025.db2.gz WRBBRAHENVVFMR-SSDOTTSWSA-N -1 3 397.342 0.047 20 0 GCADHM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737748292 598565576 /nfs/dbraw/zinc/56/55/76/598565576.db2.gz RFBKHAKZUWYKKF-UHFFFAOYSA-N -1 3 379.380 0.724 20 0 GCADHM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737748292 598565578 /nfs/dbraw/zinc/56/55/78/598565578.db2.gz RFBKHAKZUWYKKF-UHFFFAOYSA-N -1 3 379.380 0.724 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N1CCCOCC1 ZINC000738139092 598566142 /nfs/dbraw/zinc/56/61/42/598566142.db2.gz KPCGAQFNYJDDRG-UHFFFAOYSA-N -1 3 382.327 0.656 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N1CCCOCC1 ZINC000738139092 598566144 /nfs/dbraw/zinc/56/61/44/598566144.db2.gz KPCGAQFNYJDDRG-UHFFFAOYSA-N -1 3 382.327 0.656 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCCC1N=NC(=S)N1C1CC1 ZINC000737918655 598567349 /nfs/dbraw/zinc/56/73/49/598567349.db2.gz HEXCDUXWHNLPIW-UHFFFAOYSA-N -1 3 386.441 0.820 20 0 GCADHM CN1CCN(C(=O)C2CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)CC1 ZINC000736855956 598575056 /nfs/dbraw/zinc/57/50/56/598575056.db2.gz HGMCLKDJDSWQDY-UHFFFAOYSA-N -1 3 390.879 0.906 20 0 GCADHM CN1CCN(C(=O)C2CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)CC1 ZINC000736855956 598575058 /nfs/dbraw/zinc/57/50/58/598575058.db2.gz HGMCLKDJDSWQDY-UHFFFAOYSA-N -1 3 390.879 0.906 20 0 GCADHM CC1(C)NC(=O)N(CCC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824812075 607361690 /nfs/dbraw/zinc/36/16/90/607361690.db2.gz ICERSVLBGTVBFA-UHFFFAOYSA-N -1 3 386.368 0.313 20 0 GCADHM CC1(C)NC(=O)N(CCC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824812075 607361692 /nfs/dbraw/zinc/36/16/92/607361692.db2.gz ICERSVLBGTVBFA-UHFFFAOYSA-N -1 3 386.368 0.313 20 0 GCADHM CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735474405 598577747 /nfs/dbraw/zinc/57/77/47/598577747.db2.gz JAVRLQMJRDCIIJ-NVXWUHKLSA-N -1 3 383.456 0.963 20 0 GCADHM C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735570542 598580573 /nfs/dbraw/zinc/58/05/73/598580573.db2.gz NPSMYOQFCMVAMF-ZDUSSCGKSA-N -1 3 379.428 0.806 20 0 GCADHM C[C@@H](C(=O)Nc1ncccn1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735570542 598580574 /nfs/dbraw/zinc/58/05/74/598580574.db2.gz NPSMYOQFCMVAMF-ZDUSSCGKSA-N -1 3 379.428 0.806 20 0 GCADHM O=C(CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000738055336 598581666 /nfs/dbraw/zinc/58/16/66/598581666.db2.gz LGLWPLFKLMEVBY-MRXNPFEDSA-N -1 3 399.455 0.201 20 0 GCADHM CC1(C)COCCN1CCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736214842 598581787 /nfs/dbraw/zinc/58/17/87/598581787.db2.gz QVKUVUMTMDFURG-UHFFFAOYSA-N -1 3 380.474 0.397 20 0 GCADHM CC1(C)COCCN1CCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736214842 598581788 /nfs/dbraw/zinc/58/17/88/598581788.db2.gz QVKUVUMTMDFURG-UHFFFAOYSA-N -1 3 380.474 0.397 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CSCN1C(=O)c1cc[n+]([O-])cc1 ZINC000738151968 598586719 /nfs/dbraw/zinc/58/67/19/598586719.db2.gz MKDSCYKEBCWJIC-AWEZNQCLSA-N -1 3 397.420 0.654 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CSCN1C(=O)c1cc[n+]([O-])cc1 ZINC000738151968 598586720 /nfs/dbraw/zinc/58/67/20/598586720.db2.gz MKDSCYKEBCWJIC-AWEZNQCLSA-N -1 3 397.420 0.654 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000736171892 598587259 /nfs/dbraw/zinc/58/72/59/598587259.db2.gz ZKVHFJHLJMCHBB-SNVBAGLBSA-N -1 3 382.446 0.078 20 0 GCADHM O=C(c1cc[nH]c1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738253719 598588468 /nfs/dbraw/zinc/58/84/68/598588468.db2.gz GYARTSUMNFSYCO-UHFFFAOYSA-N -1 3 387.425 0.342 20 0 GCADHM O=C(c1cc[nH]c1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738253719 598588470 /nfs/dbraw/zinc/58/84/70/598588470.db2.gz GYARTSUMNFSYCO-UHFFFAOYSA-N -1 3 387.425 0.342 20 0 GCADHM O=C(c1ccc2nccn2c1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738268678 598590407 /nfs/dbraw/zinc/59/04/07/598590407.db2.gz MZGVRJXQUKHVEF-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(c1ccc2nccn2c1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738268678 598590409 /nfs/dbraw/zinc/59/04/09/598590409.db2.gz MZGVRJXQUKHVEF-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCCS(=O)(=O)NCC1CCC1 ZINC000737924434 598591439 /nfs/dbraw/zinc/59/14/39/598591439.db2.gz GEAGBIQBJOPXTL-UHFFFAOYSA-N -1 3 394.457 0.081 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCCS(=O)(=O)NCC1CCC1 ZINC000737924434 598591440 /nfs/dbraw/zinc/59/14/40/598591440.db2.gz GEAGBIQBJOPXTL-UHFFFAOYSA-N -1 3 394.457 0.081 20 0 GCADHM CN(CCN1CCOCC1)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736799203 598597647 /nfs/dbraw/zinc/59/76/47/598597647.db2.gz PDSKJQWIXKAUBO-KRWDZBQOSA-N -1 3 385.472 0.626 20 0 GCADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)NS(C)(=O)=O ZINC000735670975 598599056 /nfs/dbraw/zinc/59/90/56/598599056.db2.gz ZBJUROGEMDVVNT-UHFFFAOYSA-N -1 3 387.853 0.969 20 0 GCADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)NS(C)(=O)=O ZINC000735670975 598599058 /nfs/dbraw/zinc/59/90/58/598599058.db2.gz ZBJUROGEMDVVNT-UHFFFAOYSA-N -1 3 387.853 0.969 20 0 GCADHM C[C@@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736151101 598599129 /nfs/dbraw/zinc/59/91/29/598599129.db2.gz KVDUPRBIWYYWSS-SSDOTTSWSA-N -1 3 390.425 0.553 20 0 GCADHM C[C@@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736151101 598599131 /nfs/dbraw/zinc/59/91/31/598599131.db2.gz KVDUPRBIWYYWSS-SSDOTTSWSA-N -1 3 390.425 0.553 20 0 GCADHM O=C(CCNS(=O)(=O)c1cccnc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737849064 598599496 /nfs/dbraw/zinc/59/94/96/598599496.db2.gz XAFILVLAJCLIBE-UHFFFAOYSA-N -1 3 391.388 0.708 20 0 GCADHM O=C(CCNS(=O)(=O)c1cccnc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737849064 598599499 /nfs/dbraw/zinc/59/94/99/598599499.db2.gz XAFILVLAJCLIBE-UHFFFAOYSA-N -1 3 391.388 0.708 20 0 GCADHM C[C@]1(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)Cc2ccccc2C(=O)O1 ZINC000736204351 598600599 /nfs/dbraw/zinc/60/05/99/598600599.db2.gz FAGJHCRRJUQGQF-QGZVFWFLSA-N -1 3 383.368 0.360 20 0 GCADHM C[C@]1(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)Cc2ccccc2C(=O)O1 ZINC000736204351 598600601 /nfs/dbraw/zinc/60/06/01/598600601.db2.gz FAGJHCRRJUQGQF-QGZVFWFLSA-N -1 3 383.368 0.360 20 0 GCADHM Cc1nc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)nn1-c1ccc(F)cc1 ZINC000737468178 598602763 /nfs/dbraw/zinc/60/27/63/598602763.db2.gz OESSEKWYXWGQHY-UHFFFAOYSA-N -1 3 398.362 0.531 20 0 GCADHM Cc1nc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)nn1-c1ccc(F)cc1 ZINC000737468178 598602765 /nfs/dbraw/zinc/60/27/65/598602765.db2.gz OESSEKWYXWGQHY-UHFFFAOYSA-N -1 3 398.362 0.531 20 0 GCADHM CCOC(=O)C1=C(CNc2ccc(F)c(-c3nnn[n-]3)c2)NC(=O)N[C@@H]1C ZINC000736591069 598602882 /nfs/dbraw/zinc/60/28/82/598602882.db2.gz QEQYMYWNDMSZOL-MRVPVSSYSA-N -1 3 375.364 0.936 20 0 GCADHM CCOC(=O)C1=C(CNc2ccc(F)c(-c3nn[n-]n3)c2)NC(=O)N[C@@H]1C ZINC000736591069 598602883 /nfs/dbraw/zinc/60/28/83/598602883.db2.gz QEQYMYWNDMSZOL-MRVPVSSYSA-N -1 3 375.364 0.936 20 0 GCADHM CCOC(=O)N1CCN(C(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736600112 598603346 /nfs/dbraw/zinc/60/33/46/598603346.db2.gz JEQIGAOWACJIPU-UHFFFAOYSA-N -1 3 377.380 0.718 20 0 GCADHM CCOC(=O)N1CCN(C(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736600112 598603348 /nfs/dbraw/zinc/60/33/48/598603348.db2.gz JEQIGAOWACJIPU-UHFFFAOYSA-N -1 3 377.380 0.718 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000737770036 598604437 /nfs/dbraw/zinc/60/44/37/598604437.db2.gz GHDVAWMZYMSMMR-UHFFFAOYSA-N -1 3 383.372 0.032 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000737770036 598604439 /nfs/dbraw/zinc/60/44/39/598604439.db2.gz GHDVAWMZYMSMMR-UHFFFAOYSA-N -1 3 383.372 0.032 20 0 GCADHM COc1ccc2c(c1)C[C@H](C(=O)OCCn1ncc(-c3nnn[n-]3)c1N)CO2 ZINC000737114737 598604514 /nfs/dbraw/zinc/60/45/14/598604514.db2.gz LFMVVHJWOOABFS-NSHDSACASA-N -1 3 385.384 0.449 20 0 GCADHM COc1ccc2c(c1)C[C@H](C(=O)OCCn1ncc(-c3nn[n-]n3)c1N)CO2 ZINC000737114737 598604515 /nfs/dbraw/zinc/60/45/15/598604515.db2.gz LFMVVHJWOOABFS-NSHDSACASA-N -1 3 385.384 0.449 20 0 GCADHM CS(=O)(=O)Cc1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737163509 598604523 /nfs/dbraw/zinc/60/45/23/598604523.db2.gz WWPUSVXMNDHCQB-UHFFFAOYSA-N -1 3 391.413 0.047 20 0 GCADHM CS(=O)(=O)Cc1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737163509 598604524 /nfs/dbraw/zinc/60/45/24/598604524.db2.gz WWPUSVXMNDHCQB-UHFFFAOYSA-N -1 3 391.413 0.047 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)C=Cc1cnc2ccccc2n1 ZINC000737772262 598605049 /nfs/dbraw/zinc/60/50/49/598605049.db2.gz XCMPQFFOBBOJNP-AATRIKPKSA-N -1 3 377.368 0.845 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)C=Cc1cnc2ccccc2n1 ZINC000737772262 598605050 /nfs/dbraw/zinc/60/50/50/598605050.db2.gz XCMPQFFOBBOJNP-AATRIKPKSA-N -1 3 377.368 0.845 20 0 GCADHM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735626399 598605067 /nfs/dbraw/zinc/60/50/67/598605067.db2.gz JXXBSNFTIMRWNH-LLVKDONJSA-N -1 3 392.420 0.588 20 0 GCADHM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735626399 598605069 /nfs/dbraw/zinc/60/50/69/598605069.db2.gz JXXBSNFTIMRWNH-LLVKDONJSA-N -1 3 392.420 0.588 20 0 GCADHM CS(=O)(=O)Cc1cccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000737162047 598605615 /nfs/dbraw/zinc/60/56/15/598605615.db2.gz IBUOAEXBIKYQBG-UHFFFAOYSA-N -1 3 391.413 0.047 20 0 GCADHM CS(=O)(=O)Cc1cccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000737162047 598605617 /nfs/dbraw/zinc/60/56/17/598605617.db2.gz IBUOAEXBIKYQBG-UHFFFAOYSA-N -1 3 391.413 0.047 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000737770124 598605882 /nfs/dbraw/zinc/60/58/82/598605882.db2.gz IWJIFWMJHYYXTA-NSHDSACASA-N -1 3 388.432 0.370 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000737770124 598605883 /nfs/dbraw/zinc/60/58/83/598605883.db2.gz IWJIFWMJHYYXTA-NSHDSACASA-N -1 3 388.432 0.370 20 0 GCADHM Cc1ccc(S(C)(=O)=O)cc1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737368938 598606031 /nfs/dbraw/zinc/60/60/31/598606031.db2.gz OHHRMLRJDRBLNB-UHFFFAOYSA-N -1 3 391.413 0.214 20 0 GCADHM Cc1ccc(S(C)(=O)=O)cc1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737368938 598606032 /nfs/dbraw/zinc/60/60/32/598606032.db2.gz OHHRMLRJDRBLNB-UHFFFAOYSA-N -1 3 391.413 0.214 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000736871168 598608239 /nfs/dbraw/zinc/60/82/39/598608239.db2.gz QZPTTYQGAIGWSN-INIZCTEOSA-N -1 3 394.391 0.786 20 0 GCADHM CCOc1ccnc(N2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000736654357 598612117 /nfs/dbraw/zinc/61/21/17/598612117.db2.gz BBVHBZXFFGTEHM-UHFFFAOYSA-N -1 3 394.439 0.947 20 0 GCADHM CCOc1ccnc(N2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000736654357 598612118 /nfs/dbraw/zinc/61/21/18/598612118.db2.gz BBVHBZXFFGTEHM-UHFFFAOYSA-N -1 3 394.439 0.947 20 0 GCADHM O=C(Cn1cnc2ccccc2c1=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737989192 598615938 /nfs/dbraw/zinc/61/59/38/598615938.db2.gz UFKJBUOYJFLYLV-UHFFFAOYSA-N -1 3 395.408 0.518 20 0 GCADHM O=C(Cn1cnc2ccccc2c1=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737989192 598615940 /nfs/dbraw/zinc/61/59/40/598615940.db2.gz UFKJBUOYJFLYLV-UHFFFAOYSA-N -1 3 395.408 0.518 20 0 GCADHM CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736592910 598616110 /nfs/dbraw/zinc/61/61/10/598616110.db2.gz FKNOQOXNIVBBAV-OAHLLOKOSA-N -1 3 398.423 0.774 20 0 GCADHM CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736592910 598616112 /nfs/dbraw/zinc/61/61/12/598616112.db2.gz FKNOQOXNIVBBAV-OAHLLOKOSA-N -1 3 398.423 0.774 20 0 GCADHM O=C(C1CC1)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000737782416 598616854 /nfs/dbraw/zinc/61/68/54/598616854.db2.gz FWGFAYGBEWXDBK-OAHLLOKOSA-N -1 3 395.423 0.053 20 0 GCADHM O=C(C1CC1)N1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000737782416 598616857 /nfs/dbraw/zinc/61/68/57/598616857.db2.gz FWGFAYGBEWXDBK-OAHLLOKOSA-N -1 3 395.423 0.053 20 0 GCADHM O=C(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737863859 598618302 /nfs/dbraw/zinc/61/83/02/598618302.db2.gz VQOPZSFLMMEVCE-AWEZNQCLSA-N -1 3 376.442 0.457 20 0 GCADHM O=C(CN(C1CC1)[C@H]1CCS(=O)(=O)C1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737863859 598618304 /nfs/dbraw/zinc/61/83/04/598618304.db2.gz VQOPZSFLMMEVCE-AWEZNQCLSA-N -1 3 376.442 0.457 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000736921483 598620142 /nfs/dbraw/zinc/62/01/42/598620142.db2.gz DLOILKGCZCNSOP-UHFFFAOYSA-N -1 3 378.408 0.313 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1ccc(-c2nn[n-]n2)cc1F ZINC000736921483 598620144 /nfs/dbraw/zinc/62/01/44/598620144.db2.gz DLOILKGCZCNSOP-UHFFFAOYSA-N -1 3 378.408 0.313 20 0 GCADHM O=C(COC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000738219964 598620716 /nfs/dbraw/zinc/62/07/16/598620716.db2.gz NPZUUXZTAUPZLO-HNNXBMFYSA-N -1 3 386.412 0.238 20 0 GCADHM O=C(COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000738219655 598622008 /nfs/dbraw/zinc/62/20/08/598622008.db2.gz MOLPSDHGEQQGLF-CQSZACIVSA-N -1 3 384.396 0.528 20 0 GCADHM O=C(OCCN1C(=O)CCC1=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738220416 598622037 /nfs/dbraw/zinc/62/20/37/598622037.db2.gz HWONUSIROUDEJZ-AWEZNQCLSA-N -1 3 384.396 0.528 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736166485 598622829 /nfs/dbraw/zinc/62/28/29/598622829.db2.gz APKHUYSOPZNQLN-NWDGAFQWSA-N -1 3 394.457 0.161 20 0 GCADHM CCc1nc(CN2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000736704689 598622989 /nfs/dbraw/zinc/62/29/89/598622989.db2.gz RLEFWTUAFQZOLQ-UHFFFAOYSA-N -1 3 398.427 0.535 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCNC(=O)C1(C)C ZINC000737033768 598624267 /nfs/dbraw/zinc/62/42/67/598624267.db2.gz SXELQGFPAVJQOP-UHFFFAOYSA-N -1 3 388.428 0.771 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCNC(=O)C1(C)C ZINC000737033768 598624269 /nfs/dbraw/zinc/62/42/69/598624269.db2.gz SXELQGFPAVJQOP-UHFFFAOYSA-N -1 3 388.428 0.771 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCS(=O)(=O)CC1 ZINC000735549969 598626428 /nfs/dbraw/zinc/62/64/28/598626428.db2.gz CNWQBFNKMHXSPI-JTQLQIEISA-N -1 3 398.876 0.968 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCS(=O)(=O)CC1 ZINC000735549969 598626430 /nfs/dbraw/zinc/62/64/30/598626430.db2.gz CNWQBFNKMHXSPI-JTQLQIEISA-N -1 3 398.876 0.968 20 0 GCADHM O=C(CCN1CCCS(=O)(=O)CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737844372 598627305 /nfs/dbraw/zinc/62/73/05/598627305.db2.gz SVLCWZODKCIKTC-UHFFFAOYSA-N -1 3 398.876 0.969 20 0 GCADHM O=C(CCN1CCCS(=O)(=O)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737844372 598627307 /nfs/dbraw/zinc/62/73/07/598627307.db2.gz SVLCWZODKCIKTC-UHFFFAOYSA-N -1 3 398.876 0.969 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)c(-c2nnn[n-]2)c1 ZINC000737770730 598630256 /nfs/dbraw/zinc/63/02/56/598630256.db2.gz XQLOWZMJSWDAKR-UHFFFAOYSA-N -1 3 385.453 0.841 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)c(-c2nn[n-]n2)c1 ZINC000737770730 598630258 /nfs/dbraw/zinc/63/02/58/598630258.db2.gz XQLOWZMJSWDAKR-UHFFFAOYSA-N -1 3 385.453 0.841 20 0 GCADHM O=C(CN1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC000737881413 598630984 /nfs/dbraw/zinc/63/09/84/598630984.db2.gz DUZCAMNPGMJHAT-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM O=C(CN1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC000737881413 598630985 /nfs/dbraw/zinc/63/09/85/598630985.db2.gz DUZCAMNPGMJHAT-UHFFFAOYSA-N -1 3 391.863 0.501 20 0 GCADHM NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737766617 598631282 /nfs/dbraw/zinc/63/12/82/598631282.db2.gz SMZOJNUMJXDEDL-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1ccc(CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737766617 598631283 /nfs/dbraw/zinc/63/12/83/598631283.db2.gz SMZOJNUMJXDEDL-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)c1nnc(N2CCOCC2)s1 ZINC000738332421 598634978 /nfs/dbraw/zinc/63/49/78/598634978.db2.gz XJFGKQNOCUYNOT-UHFFFAOYSA-N -1 3 393.454 0.529 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)c1nnc(N2CCOCC2)s1 ZINC000738332421 598634980 /nfs/dbraw/zinc/63/49/80/598634980.db2.gz XJFGKQNOCUYNOT-UHFFFAOYSA-N -1 3 393.454 0.529 20 0 GCADHM O=C(NCCCOC[C@H]1CCCO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738074777 598635905 /nfs/dbraw/zinc/63/59/05/598635905.db2.gz FSIHIIDVZHONEY-GFCCVEGCSA-N -1 3 392.391 0.646 20 0 GCADHM O=C(NCCCOC[C@H]1CCCO1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738074777 598635907 /nfs/dbraw/zinc/63/59/07/598635907.db2.gz FSIHIIDVZHONEY-GFCCVEGCSA-N -1 3 392.391 0.646 20 0 GCADHM O=C(NC[C@H](CO)Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738040545 598637670 /nfs/dbraw/zinc/63/76/70/598637670.db2.gz URFZNBQVEVEKFS-CYBMUJFWSA-N -1 3 398.398 0.912 20 0 GCADHM O=C(NC[C@H](CO)Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738040545 598637672 /nfs/dbraw/zinc/63/76/72/598637672.db2.gz URFZNBQVEVEKFS-CYBMUJFWSA-N -1 3 398.398 0.912 20 0 GCADHM Cn1cnnc1C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737617776 598639161 /nfs/dbraw/zinc/63/91/61/598639161.db2.gz APLDIUMAPWAXBC-UHFFFAOYSA-N -1 3 399.390 0.479 20 0 GCADHM Cn1cnnc1C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737617776 598639163 /nfs/dbraw/zinc/63/91/63/598639163.db2.gz APLDIUMAPWAXBC-UHFFFAOYSA-N -1 3 399.390 0.479 20 0 GCADHM CC1(C)CN(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000736212657 598639431 /nfs/dbraw/zinc/63/94/31/598639431.db2.gz CNKUSDDVYMIRTI-UHFFFAOYSA-N -1 3 391.407 0.171 20 0 GCADHM CC1(C)CN(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000736212657 598639434 /nfs/dbraw/zinc/63/94/34/598639434.db2.gz CNKUSDDVYMIRTI-UHFFFAOYSA-N -1 3 391.407 0.171 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736325466 598639658 /nfs/dbraw/zinc/63/96/58/598639658.db2.gz JZKNQGPSCACYQI-BDAKNGLRSA-N -1 3 377.380 0.364 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736325466 598639659 /nfs/dbraw/zinc/63/96/59/598639659.db2.gz JZKNQGPSCACYQI-BDAKNGLRSA-N -1 3 377.380 0.364 20 0 GCADHM CNC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736871309 598639976 /nfs/dbraw/zinc/63/99/76/598639976.db2.gz OBHOMWKAOSLUFO-UHFFFAOYSA-N -1 3 389.391 0.365 20 0 GCADHM CNC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736871309 598639977 /nfs/dbraw/zinc/63/99/77/598639977.db2.gz OBHOMWKAOSLUFO-UHFFFAOYSA-N -1 3 389.391 0.365 20 0 GCADHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CCCS(C)(=O)=O)C1=O ZINC000736223082 598641486 /nfs/dbraw/zinc/64/14/86/598641486.db2.gz MKPOSWCGVKQEDX-HNNXBMFYSA-N -1 3 378.414 0.068 20 0 GCADHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CCCS(C)(=O)=O)C1=O ZINC000736223082 598641488 /nfs/dbraw/zinc/64/14/88/598641488.db2.gz MKPOSWCGVKQEDX-HNNXBMFYSA-N -1 3 378.414 0.068 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CN1CCC(=O)NC1=O ZINC000735832232 598651129 /nfs/dbraw/zinc/65/11/29/598651129.db2.gz XWTOKLALQPTBRV-UHFFFAOYSA-N -1 3 385.428 0.793 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CN1CCC(=O)NC1=O ZINC000735832232 598651130 /nfs/dbraw/zinc/65/11/30/598651130.db2.gz XWTOKLALQPTBRV-UHFFFAOYSA-N -1 3 385.428 0.793 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000738303065 598652367 /nfs/dbraw/zinc/65/23/67/598652367.db2.gz APYLAGPZUZBOOA-UHFFFAOYSA-N -1 3 395.379 0.935 20 0 GCADHM O=C(CN1CCC(=O)NC1=O)N(Cc1ccco1)c1ccccc1-c1nn[n-]n1 ZINC000738303065 598652368 /nfs/dbraw/zinc/65/23/68/598652368.db2.gz APYLAGPZUZBOOA-UHFFFAOYSA-N -1 3 395.379 0.935 20 0 GCADHM CNC(=O)CN1CCC(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736875156 598653722 /nfs/dbraw/zinc/65/37/22/598653722.db2.gz UNAYEZOPKKFFDB-UHFFFAOYSA-N -1 3 389.485 0.285 20 0 GCADHM NC(=O)Cn1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737758609 598653936 /nfs/dbraw/zinc/65/39/36/598653936.db2.gz OCJLZDRVSBZTDD-UHFFFAOYSA-N -1 3 384.400 0.736 20 0 GCADHM NC(=O)Cn1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737758609 598653938 /nfs/dbraw/zinc/65/39/38/598653938.db2.gz OCJLZDRVSBZTDD-UHFFFAOYSA-N -1 3 384.400 0.736 20 0 GCADHM CCN1C(=O)c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cn3)cc2S1(=O)=O ZINC000736564735 598662513 /nfs/dbraw/zinc/66/25/13/598662513.db2.gz DFLKOQSXJYINTE-UHFFFAOYSA-N -1 3 399.392 0.678 20 0 GCADHM CCN1C(=O)c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cn3)cc2S1(=O)=O ZINC000736564735 598662515 /nfs/dbraw/zinc/66/25/15/598662515.db2.gz DFLKOQSXJYINTE-UHFFFAOYSA-N -1 3 399.392 0.678 20 0 GCADHM CN(C)C(=O)[C@@H]1CSCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736746200 598668643 /nfs/dbraw/zinc/66/86/43/598668643.db2.gz LGSFAQSGCDMXSN-LBPRGKRZSA-N -1 3 378.483 0.949 20 0 GCADHM CN(C)C(=O)[C@@H]1CSCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736746200 598668645 /nfs/dbraw/zinc/66/86/45/598668645.db2.gz LGSFAQSGCDMXSN-LBPRGKRZSA-N -1 3 378.483 0.949 20 0 GCADHM CCCN1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000736479752 598668719 /nfs/dbraw/zinc/66/87/19/598668719.db2.gz GGIYTNGVQFXQFX-UHFFFAOYSA-N -1 3 381.444 0.802 20 0 GCADHM Cn1ncc2c1nc(NC1CCN(c3ccc(-c4nnn[n-]4)cn3)CC1)[nH]c2=O ZINC000737626505 598671985 /nfs/dbraw/zinc/67/19/85/598671985.db2.gz DQGAGSXCVSHJPS-UHFFFAOYSA-N -1 3 393.415 0.725 20 0 GCADHM Cn1ncc2c1nc(NC1CCN(c3ccc(-c4nn[n-]n4)cn3)CC1)[nH]c2=O ZINC000737626505 598671987 /nfs/dbraw/zinc/67/19/87/598671987.db2.gz DQGAGSXCVSHJPS-UHFFFAOYSA-N -1 3 393.415 0.725 20 0 GCADHM Cn1ncc2c1nc(N1CCN(c3cccc(F)c3-c3nnn[n-]3)CC1)[nH]c2=O ZINC000737623916 598672187 /nfs/dbraw/zinc/67/21/87/598672187.db2.gz SHKFQZMTSXBBJV-UHFFFAOYSA-N -1 3 396.390 0.715 20 0 GCADHM Cn1ncc2c1nc(N1CCN(c3cccc(F)c3-c3nn[n-]n3)CC1)[nH]c2=O ZINC000737623916 598672189 /nfs/dbraw/zinc/67/21/89/598672189.db2.gz SHKFQZMTSXBBJV-UHFFFAOYSA-N -1 3 396.390 0.715 20 0 GCADHM CN(C)C(=O)N1CCC(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825846296 607364221 /nfs/dbraw/zinc/36/42/21/607364221.db2.gz VJPIPUOYXNEUND-UHFFFAOYSA-N -1 3 386.412 0.986 20 0 GCADHM CN(C)C(=O)N1CCC(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825846296 607364222 /nfs/dbraw/zinc/36/42/22/607364222.db2.gz VJPIPUOYXNEUND-UHFFFAOYSA-N -1 3 386.412 0.986 20 0 GCADHM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000736510552 598678232 /nfs/dbraw/zinc/67/82/32/598678232.db2.gz BGSWMMODTUWRIE-CYBMUJFWSA-N -1 3 396.448 0.131 20 0 GCADHM CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000736510552 598678233 /nfs/dbraw/zinc/67/82/33/598678233.db2.gz BGSWMMODTUWRIE-CYBMUJFWSA-N -1 3 396.448 0.131 20 0 GCADHM O=C(C(=O)N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000737784036 598680840 /nfs/dbraw/zinc/68/08/40/598680840.db2.gz VMTOCBXHGLVVJR-UHFFFAOYSA-N -1 3 387.419 0.272 20 0 GCADHM O=C(C(=O)N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000737784036 598680841 /nfs/dbraw/zinc/68/08/41/598680841.db2.gz VMTOCBXHGLVVJR-UHFFFAOYSA-N -1 3 387.419 0.272 20 0 GCADHM CCn1nc(C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1=O ZINC000736722665 598683606 /nfs/dbraw/zinc/68/36/06/598683606.db2.gz QKXNLIXEBRQYRC-UHFFFAOYSA-N -1 3 394.439 0.796 20 0 GCADHM CCn1nc(C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1=O ZINC000736722665 598683607 /nfs/dbraw/zinc/68/36/07/598683607.db2.gz QKXNLIXEBRQYRC-UHFFFAOYSA-N -1 3 394.439 0.796 20 0 GCADHM COC(=O)[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000736911911 598685278 /nfs/dbraw/zinc/68/52/78/598685278.db2.gz JNVXOYPZEYSILL-MWLCHTKSSA-N -1 3 378.389 0.277 20 0 GCADHM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735811317 598685757 /nfs/dbraw/zinc/68/57/57/598685757.db2.gz HCJCOFVTPFJLAY-CYBMUJFWSA-N -1 3 375.458 0.939 20 0 GCADHM CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735811317 598685759 /nfs/dbraw/zinc/68/57/59/598685759.db2.gz HCJCOFVTPFJLAY-CYBMUJFWSA-N -1 3 375.458 0.939 20 0 GCADHM O=C(COC(=O)c1sccc1-n1cnnn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826416472 607364790 /nfs/dbraw/zinc/36/47/90/607364790.db2.gz AYKAUIPBEFTMJQ-UHFFFAOYSA-N -1 3 382.365 0.944 20 0 GCADHM O=C(COC(=O)c1sccc1-n1cnnn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826416472 607364792 /nfs/dbraw/zinc/36/47/92/607364792.db2.gz AYKAUIPBEFTMJQ-UHFFFAOYSA-N -1 3 382.365 0.944 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CCO1 ZINC000737746322 598687417 /nfs/dbraw/zinc/68/74/17/598687417.db2.gz ROWFZAIPUJIONZ-AWEZNQCLSA-N -1 3 395.379 0.380 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CCO1 ZINC000737746322 598687418 /nfs/dbraw/zinc/68/74/18/598687418.db2.gz ROWFZAIPUJIONZ-AWEZNQCLSA-N -1 3 395.379 0.380 20 0 GCADHM CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735587271 598687882 /nfs/dbraw/zinc/68/78/82/598687882.db2.gz RWCRYHZMNDUZBN-UHFFFAOYSA-N -1 3 396.448 0.885 20 0 GCADHM CCN(CC)C(=O)CCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736522374 598690451 /nfs/dbraw/zinc/69/04/51/598690451.db2.gz JXFUFVIDYZEJLS-UHFFFAOYSA-N -1 3 384.437 0.933 20 0 GCADHM CCN(CC)C(=O)CCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736522374 598690452 /nfs/dbraw/zinc/69/04/52/598690452.db2.gz JXFUFVIDYZEJLS-UHFFFAOYSA-N -1 3 384.437 0.933 20 0 GCADHM COC(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736936341 598691815 /nfs/dbraw/zinc/69/18/15/598691815.db2.gz OUVFWJCGWNJKSW-UHFFFAOYSA-N -1 3 384.393 0.515 20 0 GCADHM COC(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736936341 598691817 /nfs/dbraw/zinc/69/18/17/598691817.db2.gz OUVFWJCGWNJKSW-UHFFFAOYSA-N -1 3 384.393 0.515 20 0 GCADHM CN(Cc1cccc(C(N)=O)c1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736828739 598692152 /nfs/dbraw/zinc/69/21/52/598692152.db2.gz RJFMLELDJDTRCP-UHFFFAOYSA-N -1 3 390.400 0.925 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)NCc1ccco1 ZINC000736130821 598692710 /nfs/dbraw/zinc/69/27/10/598692710.db2.gz OEOWPPXVBRBCPW-SECBINFHSA-N -1 3 394.388 0.582 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)NCc1ccco1 ZINC000736130821 598692712 /nfs/dbraw/zinc/69/27/12/598692712.db2.gz OEOWPPXVBRBCPW-SECBINFHSA-N -1 3 394.388 0.582 20 0 GCADHM CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736482294 598692875 /nfs/dbraw/zinc/69/28/75/598692875.db2.gz VZHAETGMOJFXRY-LLVKDONJSA-N -1 3 396.448 0.933 20 0 GCADHM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736892661 598692969 /nfs/dbraw/zinc/69/29/69/598692969.db2.gz OSNIQJBAUBYLOY-SECBINFHSA-N -1 3 383.405 0.968 20 0 GCADHM CCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736482295 598692986 /nfs/dbraw/zinc/69/29/86/598692986.db2.gz VZHAETGMOJFXRY-NSHDSACASA-N -1 3 396.448 0.933 20 0 GCADHM Cc1noc([C@H](C)N2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000737533281 598693628 /nfs/dbraw/zinc/69/36/28/598693628.db2.gz GGNSEXLABWRPHB-LBPRGKRZSA-N -1 3 398.427 0.842 20 0 GCADHM Cc1noc([C@H](C)N2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000737533281 598693630 /nfs/dbraw/zinc/69/36/30/598693630.db2.gz GGNSEXLABWRPHB-LBPRGKRZSA-N -1 3 398.427 0.842 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCCS(=O)(=O)CC1 ZINC000737792762 598693862 /nfs/dbraw/zinc/69/38/62/598693862.db2.gz SMAJJUAFIPLMKC-HNNXBMFYSA-N -1 3 390.469 0.483 20 0 GCADHM O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738342836 598693944 /nfs/dbraw/zinc/69/39/44/598693944.db2.gz LWNSCSFPBPSCRC-GHMZBOCLSA-N -1 3 382.421 0.147 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](OCCO)C1 ZINC000822917114 607362874 /nfs/dbraw/zinc/36/28/74/607362874.db2.gz NRRXVUYFJMJSCN-IRXDYDNUSA-N -1 3 386.456 0.835 20 0 GCADHM O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738342840 598693984 /nfs/dbraw/zinc/69/39/84/598693984.db2.gz LWNSCSFPBPSCRC-QWRGUYRKSA-N -1 3 382.421 0.147 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1CN1CCOCC1 ZINC000737924367 598694887 /nfs/dbraw/zinc/69/48/87/598694887.db2.gz CEXWAZCYMUNCNY-HNNXBMFYSA-N -1 3 386.456 0.959 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1CN1CCOCC1 ZINC000737924367 598694889 /nfs/dbraw/zinc/69/48/89/598694889.db2.gz CEXWAZCYMUNCNY-HNNXBMFYSA-N -1 3 386.456 0.959 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736871629 598694962 /nfs/dbraw/zinc/69/49/62/598694962.db2.gz SHALWIKLWYBUMZ-HOCLYGCPSA-N -1 3 383.456 0.820 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000737489831 598695129 /nfs/dbraw/zinc/69/51/29/598695129.db2.gz MWSIAUNGNBNBNT-SECBINFHSA-N -1 3 378.393 0.199 20 0 GCADHM Cc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000737489831 598695132 /nfs/dbraw/zinc/69/51/32/598695132.db2.gz MWSIAUNGNBNBNT-SECBINFHSA-N -1 3 378.393 0.199 20 0 GCADHM CC=CC=CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736304894 598699762 /nfs/dbraw/zinc/69/97/62/598699762.db2.gz REQMZNNYISZEBK-MQQKCMAXSA-N -1 3 388.453 0.832 20 0 GCADHM CC=CC=CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736304894 598699765 /nfs/dbraw/zinc/69/97/65/598699765.db2.gz REQMZNNYISZEBK-MQQKCMAXSA-N -1 3 388.453 0.832 20 0 GCADHM Cn1cc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737603144 598700468 /nfs/dbraw/zinc/70/04/68/598700468.db2.gz BOUOCZAATWMOFX-OAHLLOKOSA-N -1 3 380.412 0.694 20 0 GCADHM Cn1cc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737603144 598700469 /nfs/dbraw/zinc/70/04/69/598700469.db2.gz BOUOCZAATWMOFX-OAHLLOKOSA-N -1 3 380.412 0.694 20 0 GCADHM O=C(CN1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)NCc1cccnc1 ZINC000737872411 598700821 /nfs/dbraw/zinc/70/08/21/598700821.db2.gz HNHNQZIXCGCFDS-UHFFFAOYSA-N -1 3 392.467 0.696 20 0 GCADHM NS(=O)(=O)c1ccsc1C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826395222 607363163 /nfs/dbraw/zinc/36/31/63/607363163.db2.gz SFKIPJGNPMZSEQ-UHFFFAOYSA-N -1 3 393.406 0.615 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736938475 598701648 /nfs/dbraw/zinc/70/16/48/598701648.db2.gz ATCDOCKAQLSOBI-SKDRFNHKSA-N -1 3 380.792 0.067 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736938475 598701649 /nfs/dbraw/zinc/70/16/49/598701649.db2.gz ATCDOCKAQLSOBI-SKDRFNHKSA-N -1 3 380.792 0.067 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000737164825 598704744 /nfs/dbraw/zinc/70/47/44/598704744.db2.gz BVIFNDXNVPENEC-UHFFFAOYSA-N -1 3 383.405 0.721 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000737164825 598704746 /nfs/dbraw/zinc/70/47/46/598704746.db2.gz BVIFNDXNVPENEC-UHFFFAOYSA-N -1 3 383.405 0.721 20 0 GCADHM CNC(=O)[C@H]1CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000736871997 598705310 /nfs/dbraw/zinc/70/53/10/598705310.db2.gz VNBRAPGDDLBXRT-JQWIXIFHSA-N -1 3 375.433 0.862 20 0 GCADHM O=C(CN1CCCC[C@@H]1CN1CCCC1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737880129 598707362 /nfs/dbraw/zinc/70/73/62/598707362.db2.gz YYBJMFQZBPUNPO-QGZVFWFLSA-N -1 3 397.483 0.960 20 0 GCADHM O=C(CN1CCC[C@@H](N2CCCC2=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737875984 598707398 /nfs/dbraw/zinc/70/73/98/598707398.db2.gz OSMHOOVHDVSUHF-MRXNPFEDSA-N -1 3 383.456 0.570 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000736884555 598708161 /nfs/dbraw/zinc/70/81/61/598708161.db2.gz VRYDMMFPLQYRCE-UHFFFAOYSA-N -1 3 380.361 0.599 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736884555 598708163 /nfs/dbraw/zinc/70/81/63/598708163.db2.gz VRYDMMFPLQYRCE-UHFFFAOYSA-N -1 3 380.361 0.599 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)n1cccn1 ZINC000735513307 598709370 /nfs/dbraw/zinc/70/93/70/598709370.db2.gz KNIUETVBEGZFKV-LLVKDONJSA-N -1 3 387.375 0.965 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)n1cccn1 ZINC000735513307 598709371 /nfs/dbraw/zinc/70/93/71/598709371.db2.gz KNIUETVBEGZFKV-LLVKDONJSA-N -1 3 387.375 0.965 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736938974 598709447 /nfs/dbraw/zinc/70/94/47/598709447.db2.gz DMDYLUMBHSKTAV-UHFFFAOYSA-N -1 3 391.413 0.506 20 0 GCADHM CS(=O)(=O)CCCOC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737163438 598710863 /nfs/dbraw/zinc/71/08/63/598710863.db2.gz VKOKJXJJIOOXJT-AWEZNQCLSA-N -1 3 379.442 0.813 20 0 GCADHM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000738302342 598711613 /nfs/dbraw/zinc/71/16/13/598711613.db2.gz JZFIDUPCFIZYJH-OAHLLOKOSA-N -1 3 390.469 0.783 20 0 GCADHM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000738302342 598711614 /nfs/dbraw/zinc/71/16/14/598711614.db2.gz JZFIDUPCFIZYJH-OAHLLOKOSA-N -1 3 390.469 0.783 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738353953 598711888 /nfs/dbraw/zinc/71/18/88/598711888.db2.gz FSFXBMLYGQLFFZ-ZDUSSCGKSA-N -1 3 375.414 0.153 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738353953 598711889 /nfs/dbraw/zinc/71/18/89/598711889.db2.gz FSFXBMLYGQLFFZ-ZDUSSCGKSA-N -1 3 375.414 0.153 20 0 GCADHM Nc1ncc(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737776461 598712631 /nfs/dbraw/zinc/71/26/31/598712631.db2.gz OIBJZPNPXNNQHH-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Nc1ncc(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737776461 598712633 /nfs/dbraw/zinc/71/26/33/598712633.db2.gz OIBJZPNPXNNQHH-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000738076359 598715847 /nfs/dbraw/zinc/71/58/47/598715847.db2.gz XRGDAUUQXMLKLO-AWEZNQCLSA-N -1 3 399.459 0.470 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H](N2CCCC2=O)C1 ZINC000738076359 598715849 /nfs/dbraw/zinc/71/58/49/598715849.db2.gz XRGDAUUQXMLKLO-AWEZNQCLSA-N -1 3 399.459 0.470 20 0 GCADHM CN(CCn1cccn1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736813631 598717678 /nfs/dbraw/zinc/71/76/78/598717678.db2.gz DZTIIJCOEFCCNR-UHFFFAOYSA-N -1 3 396.459 0.769 20 0 GCADHM CN(CCn1cccn1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736813631 598717680 /nfs/dbraw/zinc/71/76/80/598717680.db2.gz DZTIIJCOEFCCNR-UHFFFAOYSA-N -1 3 396.459 0.769 20 0 GCADHM CN(C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@H]1CCCCNC1=O ZINC000736742974 598717767 /nfs/dbraw/zinc/71/77/67/598717767.db2.gz VTMUPLFUGQWZNK-AWEZNQCLSA-N -1 3 395.427 0.375 20 0 GCADHM CN(C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[C@H]1CCCCNC1=O ZINC000736742974 598717769 /nfs/dbraw/zinc/71/77/69/598717769.db2.gz VTMUPLFUGQWZNK-AWEZNQCLSA-N -1 3 395.427 0.375 20 0 GCADHM O=C(CN1CC(=O)NC1=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000738302239 598719624 /nfs/dbraw/zinc/71/96/24/598719624.db2.gz JVPJCVNGVXDVBU-UHFFFAOYSA-N -1 3 398.408 0.404 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000736171138 598722881 /nfs/dbraw/zinc/72/28/81/598722881.db2.gz ZZAPATDSZAFPOX-XHDPSFHLSA-N -1 3 397.395 0.716 20 0 GCADHM O=C(COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737911018 598723506 /nfs/dbraw/zinc/72/35/06/598723506.db2.gz LJHNLDWBFZXLOP-UHFFFAOYSA-N -1 3 392.331 0.546 20 0 GCADHM CCn1nc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000736728918 598724701 /nfs/dbraw/zinc/72/47/01/598724701.db2.gz QAEQAXOOMVPYSE-SNVBAGLBSA-N -1 3 383.368 0.627 20 0 GCADHM CCn1nc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000736728918 598724704 /nfs/dbraw/zinc/72/47/04/598724704.db2.gz QAEQAXOOMVPYSE-SNVBAGLBSA-N -1 3 383.368 0.627 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC(n2ccnc2)CC1 ZINC000738079207 598726079 /nfs/dbraw/zinc/72/60/79/598726079.db2.gz XLTZNZOELLIEHV-UHFFFAOYSA-N -1 3 382.432 0.917 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC(n2ccnc2)CC1 ZINC000738079207 598726080 /nfs/dbraw/zinc/72/60/80/598726080.db2.gz XLTZNZOELLIEHV-UHFFFAOYSA-N -1 3 382.432 0.917 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H](n2ccnc2)C1 ZINC000738075312 598726154 /nfs/dbraw/zinc/72/61/54/598726154.db2.gz PIGKBWOBALBVGU-CQSZACIVSA-N -1 3 382.432 0.917 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H](n2ccnc2)C1 ZINC000738075312 598726155 /nfs/dbraw/zinc/72/61/55/598726155.db2.gz PIGKBWOBALBVGU-CQSZACIVSA-N -1 3 382.432 0.917 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000736884524 598729474 /nfs/dbraw/zinc/72/94/74/598729474.db2.gz VLSMWPMTMYIMLT-UHFFFAOYSA-N -1 3 379.446 0.721 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736884524 598729476 /nfs/dbraw/zinc/72/94/76/598729476.db2.gz VLSMWPMTMYIMLT-UHFFFAOYSA-N -1 3 379.446 0.721 20 0 GCADHM CCc1nnc2n1CCN(C(=O)NCCNc1ncccc1-c1nnn[n-]1)C2 ZINC000736711049 598732559 /nfs/dbraw/zinc/73/25/59/598732559.db2.gz PBGKPDLROKXNHB-UHFFFAOYSA-N -1 3 383.420 0.053 20 0 GCADHM CCc1nnc2n1CCN(C(=O)NCCNc1ncccc1-c1nn[n-]n1)C2 ZINC000736711049 598732560 /nfs/dbraw/zinc/73/25/60/598732560.db2.gz PBGKPDLROKXNHB-UHFFFAOYSA-N -1 3 383.420 0.053 20 0 GCADHM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736222508 598732817 /nfs/dbraw/zinc/73/28/17/598732817.db2.gz IEQBPSUMEOPKSM-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736222508 598732819 /nfs/dbraw/zinc/73/28/19/598732819.db2.gz IEQBPSUMEOPKSM-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736222507 598732935 /nfs/dbraw/zinc/73/29/35/598732935.db2.gz IEQBPSUMEOPKSM-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736222507 598732937 /nfs/dbraw/zinc/73/29/37/598732937.db2.gz IEQBPSUMEOPKSM-IBGZPJMESA-N -1 3 391.391 0.933 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000738178496 598734734 /nfs/dbraw/zinc/73/47/34/598734734.db2.gz TZDBQXVFNCPSHF-AWEZNQCLSA-N -1 3 383.412 0.419 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000738178496 598734735 /nfs/dbraw/zinc/73/47/35/598734735.db2.gz TZDBQXVFNCPSHF-AWEZNQCLSA-N -1 3 383.412 0.419 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223188 607365659 /nfs/dbraw/zinc/36/56/59/607365659.db2.gz DNHQXKMRXFTAFN-CYBMUJFWSA-N -1 3 393.425 0.407 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223188 607365660 /nfs/dbraw/zinc/36/56/60/607365660.db2.gz DNHQXKMRXFTAFN-CYBMUJFWSA-N -1 3 393.425 0.407 20 0 GCADHM O=C(Cc1ccccc1)NCCC(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737969637 598737556 /nfs/dbraw/zinc/73/75/56/598737556.db2.gz QGJMHPWIXHBZCQ-UHFFFAOYSA-N -1 3 395.423 0.966 20 0 GCADHM O=C(Cc1ccccc1)NCCC(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737969637 598737557 /nfs/dbraw/zinc/73/75/57/598737557.db2.gz QGJMHPWIXHBZCQ-UHFFFAOYSA-N -1 3 395.423 0.966 20 0 GCADHM O=C(CCS(=O)(=O)C1CCCC1)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737850415 598738884 /nfs/dbraw/zinc/73/88/84/598738884.db2.gz XIUYOVZBUBFFRC-UHFFFAOYSA-N -1 3 394.457 0.964 20 0 GCADHM O=C(CCS(=O)(=O)C1CCCC1)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737850415 598738885 /nfs/dbraw/zinc/73/88/85/598738885.db2.gz XIUYOVZBUBFFRC-UHFFFAOYSA-N -1 3 394.457 0.964 20 0 GCADHM Cn1nc(C(=O)OCCNc2ncccc2-c2nnn[n-]2)c2ccccc2c1=O ZINC000737624211 598738899 /nfs/dbraw/zinc/73/88/99/598738899.db2.gz WBZASNODQYAGGT-UHFFFAOYSA-N -1 3 392.379 0.778 20 0 GCADHM Cn1nc(C(=O)OCCNc2ncccc2-c2nn[n-]n2)c2ccccc2c1=O ZINC000737624211 598738900 /nfs/dbraw/zinc/73/89/00/598738900.db2.gz WBZASNODQYAGGT-UHFFFAOYSA-N -1 3 392.379 0.778 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736167300 598743171 /nfs/dbraw/zinc/74/31/71/598743171.db2.gz FAZBYTVCVBBEHQ-JOYOIKCWSA-N -1 3 398.345 0.913 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737761122 598743377 /nfs/dbraw/zinc/74/33/77/598743377.db2.gz PXAVXFMRMPPFJG-CQSZACIVSA-N -1 3 377.408 0.974 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737761122 598743378 /nfs/dbraw/zinc/74/33/78/598743378.db2.gz PXAVXFMRMPPFJG-CQSZACIVSA-N -1 3 377.408 0.974 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737894209 598744474 /nfs/dbraw/zinc/74/44/74/598744474.db2.gz IEUVHXJFYLAUSH-NSHDSACASA-N -1 3 383.334 0.558 20 0 GCADHM Cn1cc(C(=O)C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737602856 598745716 /nfs/dbraw/zinc/74/57/16/598745716.db2.gz NFMSFSRLSTVAPI-UHFFFAOYSA-N -1 3 381.396 0.853 20 0 GCADHM Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737444778 598748902 /nfs/dbraw/zinc/74/89/02/598748902.db2.gz PGTJTPVHIMQKEA-CQSZACIVSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cnn(C[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737444778 598748904 /nfs/dbraw/zinc/74/89/04/598748904.db2.gz PGTJTPVHIMQKEA-CQSZACIVSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737442472 598749256 /nfs/dbraw/zinc/74/92/56/598749256.db2.gz GGRDQADQMHBQAJ-AWEZNQCLSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cnn(C[C@H]2CN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737442472 598749257 /nfs/dbraw/zinc/74/92/57/598749257.db2.gz GGRDQADQMHBQAJ-AWEZNQCLSA-N -1 3 389.441 0.461 20 0 GCADHM COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736909578 598750020 /nfs/dbraw/zinc/75/00/20/598750020.db2.gz JRGISYTWHYLIDU-LLVKDONJSA-N -1 3 378.776 0.623 20 0 GCADHM COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736909578 598750021 /nfs/dbraw/zinc/75/00/21/598750021.db2.gz JRGISYTWHYLIDU-LLVKDONJSA-N -1 3 378.776 0.623 20 0 GCADHM COC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736967895 598751084 /nfs/dbraw/zinc/75/10/84/598751084.db2.gz NKUDAYRCUKTGNA-MFKMUULPSA-N -1 3 376.442 0.989 20 0 GCADHM COC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736967895 598751085 /nfs/dbraw/zinc/75/10/85/598751085.db2.gz NKUDAYRCUKTGNA-MFKMUULPSA-N -1 3 376.442 0.989 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000738178476 598751515 /nfs/dbraw/zinc/75/15/15/598751515.db2.gz SPZZIEXSHMTGFV-SNVBAGLBSA-N -1 3 397.317 0.085 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000738178476 598751516 /nfs/dbraw/zinc/75/15/16/598751516.db2.gz SPZZIEXSHMTGFV-SNVBAGLBSA-N -1 3 397.317 0.085 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000735732499 598754388 /nfs/dbraw/zinc/75/43/88/598754388.db2.gz AGZGMJBPMFWJSP-FZMZJTMJSA-N -1 3 394.457 0.160 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000735732499 598754390 /nfs/dbraw/zinc/75/43/90/598754390.db2.gz AGZGMJBPMFWJSP-FZMZJTMJSA-N -1 3 394.457 0.160 20 0 GCADHM O=C(c1ccnc(C2CC2)n1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738288495 598754541 /nfs/dbraw/zinc/75/45/41/598754541.db2.gz CEZFHQHQSOGVMK-UHFFFAOYSA-N -1 3 377.412 0.892 20 0 GCADHM O=C(c1ccnc(C2CC2)n1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738288495 598754543 /nfs/dbraw/zinc/75/45/43/598754543.db2.gz CEZFHQHQSOGVMK-UHFFFAOYSA-N -1 3 377.412 0.892 20 0 GCADHM CN(Cc1cc[nH]n1)CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736812057 598756134 /nfs/dbraw/zinc/75/61/34/598756134.db2.gz BJEUSNXPDNHEAK-UHFFFAOYSA-N -1 3 381.400 0.444 20 0 GCADHM CN(Cc1cc[nH]n1)CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736812057 598756136 /nfs/dbraw/zinc/75/61/36/598756136.db2.gz BJEUSNXPDNHEAK-UHFFFAOYSA-N -1 3 381.400 0.444 20 0 GCADHM NS(=O)(=O)[C@H]1CCN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737764652 598756402 /nfs/dbraw/zinc/75/64/02/598756402.db2.gz MSJFGAIJSHYGBG-AWEZNQCLSA-N -1 3 394.457 0.305 20 0 GCADHM NS(=O)(=O)[C@H]1CCN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737764652 598756403 /nfs/dbraw/zinc/75/64/03/598756403.db2.gz MSJFGAIJSHYGBG-AWEZNQCLSA-N -1 3 394.457 0.305 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736040726 598757321 /nfs/dbraw/zinc/75/73/21/598757321.db2.gz QZWMRTIRLNHLQG-VIFPVBQESA-N -1 3 386.865 0.824 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000736040726 598757323 /nfs/dbraw/zinc/75/73/23/598757323.db2.gz QZWMRTIRLNHLQG-VIFPVBQESA-N -1 3 386.865 0.824 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC000824040255 607366285 /nfs/dbraw/zinc/36/62/85/607366285.db2.gz NUVJRHIMEBDFSK-LBPRGKRZSA-N -1 3 397.395 0.509 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC000824040255 607366286 /nfs/dbraw/zinc/36/62/86/607366286.db2.gz NUVJRHIMEBDFSK-LBPRGKRZSA-N -1 3 397.395 0.509 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736158712 598758802 /nfs/dbraw/zinc/75/88/02/598758802.db2.gz IMSBDPIWSBKUJH-MFKMUULPSA-N -1 3 393.425 0.058 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736158712 598758803 /nfs/dbraw/zinc/75/88/03/598758803.db2.gz IMSBDPIWSBKUJH-MFKMUULPSA-N -1 3 393.425 0.058 20 0 GCADHM C[C@](O)(CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC000736144553 598760551 /nfs/dbraw/zinc/76/05/51/598760551.db2.gz ZRMVWQFCZWJEBO-SFHVURJKSA-N -1 3 386.460 0.691 20 0 GCADHM C[C@](O)(CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC000736144553 598760553 /nfs/dbraw/zinc/76/05/53/598760553.db2.gz ZRMVWQFCZWJEBO-SFHVURJKSA-N -1 3 386.460 0.691 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000738291406 598761542 /nfs/dbraw/zinc/76/15/42/598761542.db2.gz UPHNDXVVYWWRBM-HZPDHXFCSA-N -1 3 396.455 0.462 20 0 GCADHM Cc1ccccc1-n1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cn1 ZINC000737414742 598761848 /nfs/dbraw/zinc/76/18/48/598761848.db2.gz CMKGNPLXTKEJIM-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM Cc1ccccc1-n1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cn1 ZINC000737414742 598761849 /nfs/dbraw/zinc/76/18/49/598761849.db2.gz CMKGNPLXTKEJIM-UHFFFAOYSA-N -1 3 379.384 0.997 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)n1cccn1 ZINC000824039374 607366464 /nfs/dbraw/zinc/36/64/64/607366464.db2.gz FCWHZQOWQRDTOT-LBPRGKRZSA-N -1 3 397.395 0.509 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC000824039374 607366466 /nfs/dbraw/zinc/36/64/66/607366466.db2.gz FCWHZQOWQRDTOT-LBPRGKRZSA-N -1 3 397.395 0.509 20 0 GCADHM NC(=O)[C@H]1Cc2ccccc2N(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737744528 598766621 /nfs/dbraw/zinc/76/66/21/598766621.db2.gz LSTJEXLPYJEWHA-AWEZNQCLSA-N -1 3 377.408 0.969 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCC[S@@](=O)C(C)(C)C ZINC000737024366 598767885 /nfs/dbraw/zinc/76/78/85/598767885.db2.gz RCGHKWJQZZPTPF-AREMUKBSSA-N -1 3 381.458 0.918 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCC[S@@](=O)C(C)(C)C ZINC000737024366 598767886 /nfs/dbraw/zinc/76/78/86/598767886.db2.gz RCGHKWJQZZPTPF-AREMUKBSSA-N -1 3 381.458 0.918 20 0 GCADHM Cc1nc(CN2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)no1 ZINC000737476701 598768020 /nfs/dbraw/zinc/76/80/20/598768020.db2.gz GWMCGQWXTRMIRS-UHFFFAOYSA-N -1 3 384.400 0.281 20 0 GCADHM Cc1nc(CN2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)no1 ZINC000737476701 598768022 /nfs/dbraw/zinc/76/80/22/598768022.db2.gz GWMCGQWXTRMIRS-UHFFFAOYSA-N -1 3 384.400 0.281 20 0 GCADHM COCCCNC(=O)[C@H](C)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000736987248 598768253 /nfs/dbraw/zinc/76/82/53/598768253.db2.gz WHOZFYKVCZGIME-HNNXBMFYSA-N -1 3 387.488 0.526 20 0 GCADHM O=C(NCCN1CCSCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738075877 598768560 /nfs/dbraw/zinc/76/85/60/598768560.db2.gz SHAFQRIGXXBYIY-UHFFFAOYSA-N -1 3 395.876 0.624 20 0 GCADHM O=C(NCCN1CCSCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738075877 598768561 /nfs/dbraw/zinc/76/85/61/598768561.db2.gz SHAFQRIGXXBYIY-UHFFFAOYSA-N -1 3 395.876 0.624 20 0 GCADHM CN(C(=O)COc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736737124 598768880 /nfs/dbraw/zinc/76/88/80/598768880.db2.gz NBQZKCFLMUOVTB-LLVKDONJSA-N -1 3 398.345 0.867 20 0 GCADHM CN(C(=O)COc1ccccc1-c1nn[n-]n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736737124 598768882 /nfs/dbraw/zinc/76/88/82/598768882.db2.gz NBQZKCFLMUOVTB-LLVKDONJSA-N -1 3 398.345 0.867 20 0 GCADHM O=C(CCNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)NCc1cccnc1 ZINC000822969743 607366682 /nfs/dbraw/zinc/36/66/82/607366682.db2.gz ZJASRKQWEXEVKK-UHFFFAOYSA-N -1 3 386.803 0.746 20 0 GCADHM O=C(CCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)NCc1cccnc1 ZINC000822969743 607366683 /nfs/dbraw/zinc/36/66/83/607366683.db2.gz ZJASRKQWEXEVKK-UHFFFAOYSA-N -1 3 386.803 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735481853 598773351 /nfs/dbraw/zinc/77/33/51/598773351.db2.gz MNINUJRGUQQCRO-YUMQZZPRSA-N -1 3 380.792 0.915 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735481853 598773353 /nfs/dbraw/zinc/77/33/53/598773353.db2.gz MNINUJRGUQQCRO-YUMQZZPRSA-N -1 3 380.792 0.915 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736658770 598777562 /nfs/dbraw/zinc/77/75/62/598777562.db2.gz ITMIRMAAQNVABP-UHFFFAOYSA-N -1 3 381.462 0.338 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736658770 598777563 /nfs/dbraw/zinc/77/75/63/598777563.db2.gz ITMIRMAAQNVABP-UHFFFAOYSA-N -1 3 381.462 0.338 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)NCC1(O)CCOCC1 ZINC000738085672 598784341 /nfs/dbraw/zinc/78/43/41/598784341.db2.gz KSEAXHFUHFNBEM-UHFFFAOYSA-N -1 3 392.485 0.941 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)NCC1(O)CCOCC1 ZINC000738085672 598784342 /nfs/dbraw/zinc/78/43/42/598784342.db2.gz KSEAXHFUHFNBEM-UHFFFAOYSA-N -1 3 392.485 0.941 20 0 GCADHM CC(C)(C)OC(=O)NCCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735635468 598785052 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O=C(CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)OCC1CCOCC1 ZINC000737894043 598800855 /nfs/dbraw/zinc/80/08/55/598800855.db2.gz CMYNPHSRDTZNKO-UHFFFAOYSA-N -1 3 381.414 0.115 20 0 GCADHM CCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)[C@H](C)CS(C)(=O)=O ZINC000736505807 598801873 /nfs/dbraw/zinc/80/18/73/598801873.db2.gz NYOLPBOHXNFQJS-SNVBAGLBSA-N -1 3 384.437 0.970 20 0 GCADHM CCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)[C@H](C)CS(C)(=O)=O ZINC000736505807 598801874 /nfs/dbraw/zinc/80/18/74/598801874.db2.gz NYOLPBOHXNFQJS-SNVBAGLBSA-N -1 3 384.437 0.970 20 0 GCADHM C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1)n1cncn1 ZINC000735525821 598805040 /nfs/dbraw/zinc/80/50/40/598805040.db2.gz QHEMHJTWXBGSMF-MFKMUULPSA-N -1 3 399.440 0.559 20 0 GCADHM C[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1)n1cncn1 ZINC000735525821 598805042 /nfs/dbraw/zinc/80/50/42/598805042.db2.gz QHEMHJTWXBGSMF-MFKMUULPSA-N -1 3 399.440 0.559 20 0 GCADHM CC1(C)NC(=O)N(CC(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736215067 598805937 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C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000736185969 598813013 /nfs/dbraw/zinc/81/30/13/598813013.db2.gz WQNPNRBGRAFKLU-NSHDSACASA-N -1 3 381.458 0.964 20 0 GCADHM COC(=O)NC(C)(C)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736935993 598815902 /nfs/dbraw/zinc/81/59/02/598815902.db2.gz MBVSPVCYMUKATD-UHFFFAOYSA-N -1 3 387.444 0.646 20 0 GCADHM COC(=O)NC(C)(C)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736935993 598815904 /nfs/dbraw/zinc/81/59/04/598815904.db2.gz MBVSPVCYMUKATD-UHFFFAOYSA-N -1 3 387.444 0.646 20 0 GCADHM COCCCN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736980319 598819439 /nfs/dbraw/zinc/81/94/39/598819439.db2.gz COLPKQVYRYWYPK-OAHLLOKOSA-N -1 3 393.469 0.461 20 0 GCADHM COCCCN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736980319 598819441 /nfs/dbraw/zinc/81/94/41/598819441.db2.gz COLPKQVYRYWYPK-OAHLLOKOSA-N -1 3 393.469 0.461 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCCC[C@H]1CNC(N)=O ZINC000737025050 598820821 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GCADHM CNC(=O)c1cncc(C=CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)c1 ZINC000736881597 599293944 /nfs/dbraw/zinc/29/39/44/599293944.db2.gz FAAFRCJOHKWLME-NSCUHMNNSA-N -1 3 397.424 0.575 20 0 GCADHM CNC(=O)c1cncc(C=CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)c1 ZINC000736881597 599293945 /nfs/dbraw/zinc/29/39/45/599293945.db2.gz FAAFRCJOHKWLME-NSCUHMNNSA-N -1 3 397.424 0.575 20 0 GCADHM CC(C)CS(=O)(=O)CCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000735850500 599296130 /nfs/dbraw/zinc/29/61/30/599296130.db2.gz RQKMJOCRCBEKDB-UHFFFAOYSA-N -1 3 385.475 0.568 20 0 GCADHM CC(C)CS(=O)(=O)CCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000735850500 599296131 /nfs/dbraw/zinc/29/61/31/599296131.db2.gz RQKMJOCRCBEKDB-UHFFFAOYSA-N -1 3 385.475 0.568 20 0 GCADHM Cc1ccc2ncc(C(=O)Nc3nc4n(c3-c3nn[n-]n3)CCS4)c(=O)n2c1 ZINC000737373386 599296986 /nfs/dbraw/zinc/29/69/86/599296986.db2.gz GZKJZDIDOFPACI-UHFFFAOYSA-N -1 3 395.408 0.738 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CC[C@H](N2CCOCC2)C1 ZINC000738095517 599297028 /nfs/dbraw/zinc/29/70/28/599297028.db2.gz XOXKEXCTNQOZDK-AWEZNQCLSA-N -1 3 375.408 0.622 20 0 GCADHM Cc1nc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000737473776 599297163 /nfs/dbraw/zinc/29/71/63/599297163.db2.gz GRDZSINMAXPQOP-CYBMUJFWSA-N -1 3 382.384 0.652 20 0 GCADHM Cc1nc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000737473776 599297165 /nfs/dbraw/zinc/29/71/65/599297165.db2.gz GRDZSINMAXPQOP-CYBMUJFWSA-N -1 3 382.384 0.652 20 0 GCADHM CC[C@@H]1CN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000736406769 599297748 /nfs/dbraw/zinc/29/77/48/599297748.db2.gz BPWMQRPJGQSFMT-PBHICJAKSA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@@H]1CN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000736406769 599297751 /nfs/dbraw/zinc/29/77/51/599297751.db2.gz BPWMQRPJGQSFMT-PBHICJAKSA-N -1 3 386.456 0.815 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)[C@H]1Cc2ccccc2C(=O)O1 ZINC000738321728 599300488 /nfs/dbraw/zinc/30/04/88/599300488.db2.gz XGXUULPXRQNXQB-SNVBAGLBSA-N -1 3 383.393 0.889 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)[C@H]1Cc2ccccc2C(=O)O1 ZINC000738321728 599300489 /nfs/dbraw/zinc/30/04/89/599300489.db2.gz XGXUULPXRQNXQB-SNVBAGLBSA-N -1 3 383.393 0.889 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CC[C@H](N2CCOCC2)C1 ZINC000738352939 599301688 /nfs/dbraw/zinc/30/16/88/599301688.db2.gz CNVCKZLAFKFDLA-LBPRGKRZSA-N -1 3 398.876 0.615 20 0 GCADHM O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737875851 599302017 /nfs/dbraw/zinc/30/20/17/599302017.db2.gz MXCYJVSMQMLHTD-CYBMUJFWSA-N -1 3 391.863 0.865 20 0 GCADHM O=C(CN1CC[C@@H](N2CCOCC2)C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737875851 599302020 /nfs/dbraw/zinc/30/20/20/599302020.db2.gz MXCYJVSMQMLHTD-CYBMUJFWSA-N -1 3 391.863 0.865 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000737222370 599303892 /nfs/dbraw/zinc/30/38/92/599303892.db2.gz ZDZAQYDECFCKLV-CQSZACIVSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000737222370 599303893 /nfs/dbraw/zinc/30/38/93/599303893.db2.gz ZDZAQYDECFCKLV-CQSZACIVSA-N -1 3 378.458 0.270 20 0 GCADHM CC(C)(C)OC(=O)N(CC(=O)n1ncc(-c2nnn[n-]2)c1N)C[C@H]1CCCO1 ZINC000819928260 599315120 /nfs/dbraw/zinc/31/51/20/599315120.db2.gz MPFSLHKIIYEECQ-SNVBAGLBSA-N -1 3 392.420 0.702 20 0 GCADHM CC(=O)N[C@@H](CC(=O)n1ncc(-c2nnn[n-]2)c1N)c1ccc(F)cc1F ZINC000819802456 599315581 /nfs/dbraw/zinc/31/55/81/599315581.db2.gz BYKHPEBDITWPRI-LBPRGKRZSA-N -1 3 376.327 0.831 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)COc3ccccc3-c3nnn[n-]3)C2)n[nH]1 ZINC000737754523 599316802 /nfs/dbraw/zinc/31/68/02/599316802.db2.gz FEOLJZLAGISYGH-LLVKDONJSA-N -1 3 396.411 0.474 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)COc3ccccc3-c3nn[n-]n3)C2)n[nH]1 ZINC000737754523 599316804 /nfs/dbraw/zinc/31/68/04/599316804.db2.gz FEOLJZLAGISYGH-LLVKDONJSA-N -1 3 396.411 0.474 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000738177053 599319144 /nfs/dbraw/zinc/31/91/44/599319144.db2.gz DRCKNPLZYHNIIJ-AWEZNQCLSA-N -1 3 394.395 0.996 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1 ZINC000738177053 599319147 /nfs/dbraw/zinc/31/91/47/599319147.db2.gz DRCKNPLZYHNIIJ-AWEZNQCLSA-N -1 3 394.395 0.996 20 0 GCADHM CC[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCCC1=O ZINC000820842917 599320394 /nfs/dbraw/zinc/32/03/94/599320394.db2.gz QZGCIRXLSUZPGM-HNNXBMFYSA-N -1 3 398.471 0.748 20 0 GCADHM CC[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCCC1=O ZINC000820842917 599320398 /nfs/dbraw/zinc/32/03/98/599320398.db2.gz QZGCIRXLSUZPGM-HNNXBMFYSA-N -1 3 398.471 0.748 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000821104366 607368633 /nfs/dbraw/zinc/36/86/33/607368633.db2.gz AJDRJPCUAMYVQE-UHFFFAOYSA-N -1 3 396.455 1.000 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000821104366 607368635 /nfs/dbraw/zinc/36/86/35/607368635.db2.gz AJDRJPCUAMYVQE-UHFFFAOYSA-N -1 3 396.455 1.000 20 0 GCADHM O=S(=O)([C@@H]1CCOC1)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738317816 599323410 /nfs/dbraw/zinc/32/34/10/599323410.db2.gz MOCSUZACMRHCCG-MRXNPFEDSA-N -1 3 392.485 0.493 20 0 GCADHM O=S(=O)([C@H]1CCOC1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738320878 599325198 /nfs/dbraw/zinc/32/51/98/599325198.db2.gz YZXZSXXYPHRBPL-HNNXBMFYSA-N -1 3 379.442 0.829 20 0 GCADHM O=S(=O)([C@H]1CCOC1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738320878 599325201 /nfs/dbraw/zinc/32/52/01/599325201.db2.gz YZXZSXXYPHRBPL-HNNXBMFYSA-N -1 3 379.442 0.829 20 0 GCADHM O=S(=O)([C@@H]1CCOC1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000738320849 599325309 /nfs/dbraw/zinc/32/53/09/599325309.db2.gz YOKAXQZHHNRERU-LLVKDONJSA-N -1 3 382.421 0.247 20 0 GCADHM O=S(=O)([C@@H]1CCOC1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000738320849 599325312 /nfs/dbraw/zinc/32/53/12/599325312.db2.gz YOKAXQZHHNRERU-LLVKDONJSA-N -1 3 382.421 0.247 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cn1C ZINC000821635264 599325533 /nfs/dbraw/zinc/32/55/33/599325533.db2.gz UCGOKCFNGZLBTM-JTQLQIEISA-N -1 3 389.441 0.604 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cn1C ZINC000821635264 599325536 /nfs/dbraw/zinc/32/55/36/599325536.db2.gz UCGOKCFNGZLBTM-JTQLQIEISA-N -1 3 389.441 0.604 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821325713 599325604 /nfs/dbraw/zinc/32/56/04/599325604.db2.gz KNTSCFGXZMJIOX-RISCZKNCSA-N -1 3 394.457 0.790 20 0 GCADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821325713 599325607 /nfs/dbraw/zinc/32/56/07/599325607.db2.gz KNTSCFGXZMJIOX-RISCZKNCSA-N -1 3 394.457 0.790 20 0 GCADHM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000820650613 599329053 /nfs/dbraw/zinc/32/90/53/599329053.db2.gz WDVMFBPYLFJFDU-HUUCEWRRSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000820650613 599329054 /nfs/dbraw/zinc/32/90/54/599329054.db2.gz WDVMFBPYLFJFDU-HUUCEWRRSA-N -1 3 384.488 0.888 20 0 GCADHM COCCN(CCOC)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736994678 599333097 /nfs/dbraw/zinc/33/30/97/599333097.db2.gz KSGVFUKBGUBSOU-UHFFFAOYSA-N -1 3 375.838 0.804 20 0 GCADHM O=C(NC[C@@H](O)CO)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826432522 607781183 /nfs/dbraw/zinc/78/11/83/607781183.db2.gz DFIKLHWCGIHHPZ-LLVKDONJSA-N -1 3 375.414 0.389 20 0 GCADHM Cn1nnnc1-c1cccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737627264 599333935 /nfs/dbraw/zinc/33/39/35/599333935.db2.gz OJNYGKRQSQPSAW-UHFFFAOYSA-N -1 3 384.381 0.825 20 0 GCADHM Cn1nnnc1-c1cccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737627264 599333936 /nfs/dbraw/zinc/33/39/36/599333936.db2.gz OJNYGKRQSQPSAW-UHFFFAOYSA-N -1 3 384.381 0.825 20 0 GCADHM O=C(NC[C@@H](O)CO)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826432522 607781184 /nfs/dbraw/zinc/78/11/84/607781184.db2.gz DFIKLHWCGIHHPZ-LLVKDONJSA-N -1 3 375.414 0.389 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cnn(CC(F)(F)F)c1 ZINC000737890175 599335807 /nfs/dbraw/zinc/33/58/07/599335807.db2.gz VPORFWAJHSPPGT-UHFFFAOYSA-N -1 3 394.317 0.994 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cnn(CC(F)(F)F)c1 ZINC000737890175 599335808 /nfs/dbraw/zinc/33/58/08/599335808.db2.gz VPORFWAJHSPPGT-UHFFFAOYSA-N -1 3 394.317 0.994 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)O[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737924754 599335972 /nfs/dbraw/zinc/33/59/72/599335972.db2.gz KGBMKCPFVLJJLP-LLVKDONJSA-N -1 3 385.302 0.952 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)O[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737924754 599335976 /nfs/dbraw/zinc/33/59/76/599335976.db2.gz KGBMKCPFVLJJLP-LLVKDONJSA-N -1 3 385.302 0.952 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)O[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737918767 599336064 /nfs/dbraw/zinc/33/60/64/599336064.db2.gz KRPVYTJHSYDALN-NSHDSACASA-N -1 3 385.302 0.952 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CCS(C)(=O)=O ZINC000821104686 599338248 /nfs/dbraw/zinc/33/82/48/599338248.db2.gz NAVNGCCGPMCPHX-UHFFFAOYSA-N -1 3 387.487 0.453 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CCS(C)(=O)=O ZINC000821104686 599338251 /nfs/dbraw/zinc/33/82/51/599338251.db2.gz NAVNGCCGPMCPHX-UHFFFAOYSA-N -1 3 387.487 0.453 20 0 GCADHM CC(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000819802533 599339395 /nfs/dbraw/zinc/33/93/95/599339395.db2.gz DXNJMSIYJSELSM-UHFFFAOYSA-N -1 3 384.849 0.809 20 0 GCADHM CC(C)n1cc(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1 ZINC000820214413 599339518 /nfs/dbraw/zinc/33/95/18/599339518.db2.gz AGFNOEMQACEMTB-UHFFFAOYSA-N -1 3 377.434 0.430 20 0 GCADHM CC(C)n1cc(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1 ZINC000820214413 599339520 /nfs/dbraw/zinc/33/95/20/599339520.db2.gz AGFNOEMQACEMTB-UHFFFAOYSA-N -1 3 377.434 0.430 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCO1 ZINC000821656892 599343273 /nfs/dbraw/zinc/34/32/73/599343273.db2.gz BLGMDSUGUWYWTQ-JTQLQIEISA-N -1 3 387.805 0.083 20 0 GCADHM O=S(=O)(Cc1ccon1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823567946 599343787 /nfs/dbraw/zinc/34/37/87/599343787.db2.gz ZLKJUNFMVFBWNI-UHFFFAOYSA-N -1 3 390.429 0.338 20 0 GCADHM O=S(=O)(Cc1ccon1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823567946 599343791 /nfs/dbraw/zinc/34/37/91/599343791.db2.gz ZLKJUNFMVFBWNI-UHFFFAOYSA-N -1 3 390.429 0.338 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000821592591 599349488 /nfs/dbraw/zinc/34/94/88/599349488.db2.gz MHYLUCMWJSMSRW-UHFFFAOYSA-N -1 3 376.442 0.276 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000821592591 599349491 /nfs/dbraw/zinc/34/94/91/599349491.db2.gz MHYLUCMWJSMSRW-UHFFFAOYSA-N -1 3 376.442 0.276 20 0 GCADHM Cc1cc2[nH]c(=O)c(C(=O)OCC(=O)c3cccc(-c4nnn[n-]4)c3)cn2n1 ZINC000826272741 607370552 /nfs/dbraw/zinc/37/05/52/607370552.db2.gz ZDTSUKDZNQMSGP-UHFFFAOYSA-N -1 3 379.336 0.551 20 0 GCADHM Cc1cc2[nH]c(=O)c(C(=O)OCC(=O)c3cccc(-c4nn[n-]n4)c3)cn2n1 ZINC000826272741 607370554 /nfs/dbraw/zinc/37/05/54/607370554.db2.gz ZDTSUKDZNQMSGP-UHFFFAOYSA-N -1 3 379.336 0.551 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736881231 599352360 /nfs/dbraw/zinc/35/23/60/599352360.db2.gz BZPILCHCVOTLJX-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736881231 599352362 /nfs/dbraw/zinc/35/23/62/599352362.db2.gz BZPILCHCVOTLJX-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM CS(=O)(=O)C1(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000826222212 607370658 /nfs/dbraw/zinc/37/06/58/607370658.db2.gz OADIVUYGLGDPCK-UHFFFAOYSA-N -1 3 378.410 0.950 20 0 GCADHM CS(=O)(=O)C1(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000826222212 607370660 /nfs/dbraw/zinc/37/06/60/607370660.db2.gz OADIVUYGLGDPCK-UHFFFAOYSA-N -1 3 378.410 0.950 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000823607674 599359164 /nfs/dbraw/zinc/35/91/64/599359164.db2.gz VZMNLWAOUPWPKV-CYBMUJFWSA-N -1 3 378.458 0.210 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CC[C@H](CN2CCOCC2)C1 ZINC000823607674 599359165 /nfs/dbraw/zinc/35/91/65/599359165.db2.gz VZMNLWAOUPWPKV-CYBMUJFWSA-N -1 3 378.458 0.210 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2c(C)cc(-c3nnn[n-]3)cc2C)cn1 ZINC000821663701 599359692 /nfs/dbraw/zinc/35/96/92/599359692.db2.gz KHGIKOUMWCLSID-UHFFFAOYSA-N -1 3 392.397 0.621 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2c(C)cc(-c3nn[n-]n3)cc2C)cn1 ZINC000821663701 599359695 /nfs/dbraw/zinc/35/96/95/599359695.db2.gz KHGIKOUMWCLSID-UHFFFAOYSA-N -1 3 392.397 0.621 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)Oc2c(C)cc(-c3nnn[n-]3)cc2C)cn1C ZINC000821635299 599363042 /nfs/dbraw/zinc/36/30/42/599363042.db2.gz VYUFJDYWHUMJEH-UHFFFAOYSA-N -1 3 390.425 0.949 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)Oc2c(C)cc(-c3nn[n-]n3)cc2C)cn1C ZINC000821635299 599363044 /nfs/dbraw/zinc/36/30/44/599363044.db2.gz VYUFJDYWHUMJEH-UHFFFAOYSA-N -1 3 390.425 0.949 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735623397 599363236 /nfs/dbraw/zinc/36/32/36/599363236.db2.gz IWMSURZXENFJTH-UHFFFAOYSA-N -1 3 380.430 0.764 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735623397 599363239 /nfs/dbraw/zinc/36/32/39/599363239.db2.gz IWMSURZXENFJTH-UHFFFAOYSA-N -1 3 380.430 0.764 20 0 GCADHM Cc1nc(CN2CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CC2)no1 ZINC000737477729 599363642 /nfs/dbraw/zinc/36/36/42/599363642.db2.gz NMJYDRFIIOWTIN-UHFFFAOYSA-N -1 3 390.429 0.065 20 0 GCADHM Cc1nc(CN2CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CC2)no1 ZINC000737477729 599363645 /nfs/dbraw/zinc/36/36/45/599363645.db2.gz NMJYDRFIIOWTIN-UHFFFAOYSA-N -1 3 390.429 0.065 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccon2)CC1 ZINC000738348015 599364781 /nfs/dbraw/zinc/36/47/81/599364781.db2.gz QGMOXUZAFTWWFO-UHFFFAOYSA-N -1 3 375.414 0.361 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccon2)CC1 ZINC000738348015 599364784 /nfs/dbraw/zinc/36/47/84/599364784.db2.gz QGMOXUZAFTWWFO-UHFFFAOYSA-N -1 3 375.414 0.361 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCN(c2cccnn2)C1 ZINC000737895122 599366187 /nfs/dbraw/zinc/36/61/87/599366187.db2.gz MKKSGURWHVZGKG-HNNXBMFYSA-N -1 3 379.428 0.854 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1CCCN1c1cccnn1 ZINC000737896391 599366192 /nfs/dbraw/zinc/36/61/92/599366192.db2.gz XFKABFHNPWTSAH-HNNXBMFYSA-N -1 3 379.428 0.854 20 0 GCADHM NC(=O)COc1cccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822868578 599367723 /nfs/dbraw/zinc/36/77/23/599367723.db2.gz DXVKFWWDRKUPRT-UHFFFAOYSA-N -1 3 388.409 0.209 20 0 GCADHM NC(=O)COc1cccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822868578 599367725 /nfs/dbraw/zinc/36/77/25/599367725.db2.gz DXVKFWWDRKUPRT-UHFFFAOYSA-N -1 3 388.409 0.209 20 0 GCADHM O=C1NCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)[C@@H]1c1cccs1 ZINC000823547702 599373508 /nfs/dbraw/zinc/37/35/08/599373508.db2.gz NOEKAUBVLKEFNB-CYBMUJFWSA-N -1 3 390.450 0.790 20 0 GCADHM O=C1NCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)[C@@H]1c1cccs1 ZINC000823547702 599373510 /nfs/dbraw/zinc/37/35/10/599373510.db2.gz NOEKAUBVLKEFNB-CYBMUJFWSA-N -1 3 390.450 0.790 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000822223965 599375982 /nfs/dbraw/zinc/37/59/82/599375982.db2.gz QIUQYOSMVZYTHN-UHTWSYAYSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000822223965 599375984 /nfs/dbraw/zinc/37/59/84/599375984.db2.gz QIUQYOSMVZYTHN-UHTWSYAYSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000822223963 599375993 /nfs/dbraw/zinc/37/59/93/599375993.db2.gz QIUQYOSMVZYTHN-RAIGVLPGSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000822223963 599375995 /nfs/dbraw/zinc/37/59/95/599375995.db2.gz QIUQYOSMVZYTHN-RAIGVLPGSA-N -1 3 376.442 0.463 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)ccc1OCc1nc(CS(C)(=O)=O)no1 ZINC000821395235 599381052 /nfs/dbraw/zinc/38/10/52/599381052.db2.gz TYENZOYRCQIVJW-UHFFFAOYSA-N -1 3 380.386 0.772 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)ccc1OCc1nc(CS(C)(=O)=O)no1 ZINC000821395235 599381054 /nfs/dbraw/zinc/38/10/54/599381054.db2.gz TYENZOYRCQIVJW-UHFFFAOYSA-N -1 3 380.386 0.772 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821694373 599382392 /nfs/dbraw/zinc/38/23/92/599382392.db2.gz KJBCGOMNEXTOFQ-UHFFFAOYSA-N -1 3 379.402 0.259 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821694373 599382394 /nfs/dbraw/zinc/38/23/94/599382394.db2.gz KJBCGOMNEXTOFQ-UHFFFAOYSA-N -1 3 379.402 0.259 20 0 GCADHM COCCN(Cc1nc(C)no1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821690314 599384383 /nfs/dbraw/zinc/38/43/83/599384383.db2.gz FNUREMOOIIJYHC-UHFFFAOYSA-N -1 3 379.402 0.395 20 0 GCADHM COCCN(Cc1nc(C)no1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821690314 599384386 /nfs/dbraw/zinc/38/43/86/599384386.db2.gz FNUREMOOIIJYHC-UHFFFAOYSA-N -1 3 379.402 0.395 20 0 GCADHM NC(=O)NCCNC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737755154 599385722 /nfs/dbraw/zinc/38/57/22/599385722.db2.gz JKLNTGNXBUOLOW-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM C[C@@H](Oc1ccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1)C(N)=O ZINC000820536912 599385808 /nfs/dbraw/zinc/38/58/08/599385808.db2.gz YNVOQAXUGABGLU-GFCCVEGCSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@@H](Oc1ccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1)C(N)=O ZINC000820536912 599385811 /nfs/dbraw/zinc/38/58/11/599385811.db2.gz YNVOQAXUGABGLU-GFCCVEGCSA-N -1 3 396.407 0.815 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738255478 599389513 /nfs/dbraw/zinc/38/95/13/599389513.db2.gz UGWFXWACCVSVRZ-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738255478 599389516 /nfs/dbraw/zinc/38/95/16/599389516.db2.gz UGWFXWACCVSVRZ-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000736170708 599390840 /nfs/dbraw/zinc/39/08/40/599390840.db2.gz RLOCIKIENXTPLM-WOPDTQHZSA-N -1 3 379.442 0.668 20 0 GCADHM CN1C(=O)COc2ccc(NC[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc21 ZINC000821620615 599397565 /nfs/dbraw/zinc/39/75/65/599397565.db2.gz QHOQZOKCNQKTFJ-JTQLQIEISA-N -1 3 381.400 0.572 20 0 GCADHM CN1C(=O)COc2ccc(NC[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc21 ZINC000821620615 599397569 /nfs/dbraw/zinc/39/75/69/599397569.db2.gz QHOQZOKCNQKTFJ-JTQLQIEISA-N -1 3 381.400 0.572 20 0 GCADHM CC(=O)N1CCN(C(=O)CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CC1 ZINC000819796475 607373511 /nfs/dbraw/zinc/37/35/11/607373511.db2.gz JKPSEMZWRGSMRG-UHFFFAOYSA-N -1 3 387.444 0.757 20 0 GCADHM CC(=O)N1CCN(C(=O)CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CC1 ZINC000819796475 607373513 /nfs/dbraw/zinc/37/35/13/607373513.db2.gz JKPSEMZWRGSMRG-UHFFFAOYSA-N -1 3 387.444 0.757 20 0 GCADHM C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820357697 599406945 /nfs/dbraw/zinc/40/69/45/599406945.db2.gz ISEQXUVZPYFWPU-LLVKDONJSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820357697 599406947 /nfs/dbraw/zinc/40/69/47/599406947.db2.gz ISEQXUVZPYFWPU-LLVKDONJSA-N -1 3 393.473 0.651 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3cccc(Cl)c3-c3nnn[n-]3)CC2)C1 ZINC000823614730 599408576 /nfs/dbraw/zinc/40/85/76/599408576.db2.gz RVXRPNXCAARXID-LLVKDONJSA-N -1 3 382.877 0.829 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3cccc(Cl)c3-c3nn[n-]n3)CC2)C1 ZINC000823614730 599408580 /nfs/dbraw/zinc/40/85/80/599408580.db2.gz RVXRPNXCAARXID-LLVKDONJSA-N -1 3 382.877 0.829 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826147833 607374823 /nfs/dbraw/zinc/37/48/23/607374823.db2.gz NOEJLYNRTGODBM-HNNXBMFYSA-N -1 3 375.385 0.380 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826147833 607374825 /nfs/dbraw/zinc/37/48/25/607374825.db2.gz NOEJLYNRTGODBM-HNNXBMFYSA-N -1 3 375.385 0.380 20 0 GCADHM C[C@H]1C[C@H](NC(=O)NCc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820658624 599417889 /nfs/dbraw/zinc/41/78/89/599417889.db2.gz UKFHJVJYGJRCPH-NHYWBVRUSA-N -1 3 395.427 0.593 20 0 GCADHM C[C@H]1C[C@H](NC(=O)NCc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820658624 599417892 /nfs/dbraw/zinc/41/78/92/599417892.db2.gz UKFHJVJYGJRCPH-NHYWBVRUSA-N -1 3 395.427 0.593 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)NCc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822680361 599418758 /nfs/dbraw/zinc/41/87/58/599418758.db2.gz MGKVZQJVTFYKHV-HNNXBMFYSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1cc(N2CCC[C@H](NC(=O)NCc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822680361 599418761 /nfs/dbraw/zinc/41/87/61/599418761.db2.gz MGKVZQJVTFYKHV-HNNXBMFYSA-N -1 3 395.427 0.595 20 0 GCADHM CCN(CCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000821207530 599423695 /nfs/dbraw/zinc/42/36/95/599423695.db2.gz PNTNGUPQCIZRMZ-LBPRGKRZSA-N -1 3 395.489 0.899 20 0 GCADHM CCN(CCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000821207530 599423697 /nfs/dbraw/zinc/42/36/97/599423697.db2.gz PNTNGUPQCIZRMZ-LBPRGKRZSA-N -1 3 395.489 0.899 20 0 GCADHM C[C@H](NC(=O)NCCN1C(=O)CSC1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820367967 599425300 /nfs/dbraw/zinc/42/53/00/599425300.db2.gz WNRXPJWDGWRZQK-VIFPVBQESA-N -1 3 375.414 0.922 20 0 GCADHM C[C@H](NC(=O)NCCN1C(=O)CSC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820367967 599425303 /nfs/dbraw/zinc/42/53/03/599425303.db2.gz WNRXPJWDGWRZQK-VIFPVBQESA-N -1 3 375.414 0.922 20 0 GCADHM C[C@H](NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCOC1 ZINC000820358900 599430505 /nfs/dbraw/zinc/43/05/05/599430505.db2.gz QEODDSCTBBIETA-GXTWGEPZSA-N -1 3 386.460 0.955 20 0 GCADHM C[C@H](NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCOC1 ZINC000820358900 599430507 /nfs/dbraw/zinc/43/05/07/599430507.db2.gz QEODDSCTBBIETA-GXTWGEPZSA-N -1 3 386.460 0.955 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820875415 599430976 /nfs/dbraw/zinc/43/09/76/599430976.db2.gz AAPUEXUGBRBEGD-RYUDHWBXSA-N -1 3 375.433 0.848 20 0 GCADHM Nc1ncnc2c1ncn2CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826396594 607378929 /nfs/dbraw/zinc/37/89/29/607378929.db2.gz DUMRWYDCGAKAAS-UHFFFAOYSA-N -1 3 379.340 0.015 20 0 GCADHM Nc1ncnc2c1ncn2CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826396594 607378931 /nfs/dbraw/zinc/37/89/31/607378931.db2.gz DUMRWYDCGAKAAS-UHFFFAOYSA-N -1 3 379.340 0.015 20 0 GCADHM O=C(NCCOC[C@H]1CCCO1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823211326 599443015 /nfs/dbraw/zinc/44/30/15/599443015.db2.gz NNDJQLDEHVHWRY-OAHLLOKOSA-N -1 3 376.417 0.740 20 0 GCADHM COC(=O)[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000821640384 599446129 /nfs/dbraw/zinc/44/61/29/599446129.db2.gz HNQWDQMNDQREGL-CQSZACIVSA-N -1 3 388.428 0.548 20 0 GCADHM COC(=O)[C@@H](CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000821640384 599446131 /nfs/dbraw/zinc/44/61/31/599446131.db2.gz HNQWDQMNDQREGL-CQSZACIVSA-N -1 3 388.428 0.548 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736229524 599446578 /nfs/dbraw/zinc/44/65/78/599446578.db2.gz MPHKKNASGQWEFL-BZPMIXESSA-N -1 3 381.458 0.114 20 0 GCADHM O=C(NCCCOC[C@H]1CCOC1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823192250 599446856 /nfs/dbraw/zinc/44/68/56/599446856.db2.gz USDDDOVORXVPQN-CQSZACIVSA-N -1 3 390.444 0.988 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736231506 599447804 /nfs/dbraw/zinc/44/78/04/599447804.db2.gz XQINOUGEGKNLAM-RYUDHWBXSA-N -1 3 378.458 0.703 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736231506 599447805 /nfs/dbraw/zinc/44/78/05/599447805.db2.gz XQINOUGEGKNLAM-RYUDHWBXSA-N -1 3 378.458 0.703 20 0 GCADHM Cc1oc(NC(=O)CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000737551851 599448663 /nfs/dbraw/zinc/44/86/63/599448663.db2.gz JZDXXLUHZHZHTB-KOLCDFICSA-N -1 3 382.446 0.522 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736229621 599451093 /nfs/dbraw/zinc/45/10/93/599451093.db2.gz OQROPTDNJPMFFS-MNOVXSKESA-N -1 3 385.471 0.204 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736229621 599451094 /nfs/dbraw/zinc/45/10/94/599451094.db2.gz OQROPTDNJPMFFS-MNOVXSKESA-N -1 3 385.471 0.204 20 0 GCADHM C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736224803 599451198 /nfs/dbraw/zinc/45/11/98/599451198.db2.gz NPRAKZLDCHKWBF-DTWKUNHWSA-N -1 3 389.434 0.202 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000737297898 599452221 /nfs/dbraw/zinc/45/22/21/599452221.db2.gz FCEKTSVXQKWWRI-GHMZBOCLSA-N -1 3 385.471 0.371 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000737297898 599452224 /nfs/dbraw/zinc/45/22/24/599452224.db2.gz FCEKTSVXQKWWRI-GHMZBOCLSA-N -1 3 385.471 0.371 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820641477 599452215 /nfs/dbraw/zinc/45/22/15/599452215.db2.gz CPRAODGXRKMLJG-AOOLBULQSA-N -1 3 378.458 0.796 20 0 GCADHM O=C(NC1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1)C1CC1 ZINC000823150074 599452508 /nfs/dbraw/zinc/45/25/08/599452508.db2.gz LKKRDKAEVVCZAS-UHFFFAOYSA-N -1 3 399.455 0.946 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H]1Cn1cncn1 ZINC000823211322 599452552 /nfs/dbraw/zinc/45/25/52/599452552.db2.gz NMIGRKYQACWXHK-AWEZNQCLSA-N -1 3 383.416 0.711 20 0 GCADHM CN(C)C(=O)COc1cccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821578050 599453923 /nfs/dbraw/zinc/45/39/23/599453923.db2.gz LDJIPVUOSNDVJJ-LBPRGKRZSA-N -1 3 397.443 0.684 20 0 GCADHM CN(C)C(=O)COc1cccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821578050 599453924 /nfs/dbraw/zinc/45/39/24/599453924.db2.gz LDJIPVUOSNDVJJ-LBPRGKRZSA-N -1 3 397.443 0.684 20 0 GCADHM CN(C)C(=O)COc1cccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821578049 599453966 /nfs/dbraw/zinc/45/39/66/599453966.db2.gz LDJIPVUOSNDVJJ-GFCCVEGCSA-N -1 3 397.443 0.684 20 0 GCADHM CN(C)C(=O)COc1cccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821578049 599453968 /nfs/dbraw/zinc/45/39/68/599453968.db2.gz LDJIPVUOSNDVJJ-GFCCVEGCSA-N -1 3 397.443 0.684 20 0 GCADHM NC(=O)[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000822851698 599454966 /nfs/dbraw/zinc/45/49/66/599454966.db2.gz ZDMLFRHYTHPZSF-HNNXBMFYSA-N -1 3 381.396 0.771 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821442535 599459050 /nfs/dbraw/zinc/45/90/50/599459050.db2.gz USSUOWSGTNSQSF-SNVBAGLBSA-N -1 3 384.437 0.970 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821442535 599459051 /nfs/dbraw/zinc/45/90/51/599459051.db2.gz USSUOWSGTNSQSF-SNVBAGLBSA-N -1 3 384.437 0.970 20 0 GCADHM CCN(C(=O)NCc1cc(-c2nnn[n-]2)ccc1F)[C@H](C)CS(C)(=O)=O ZINC000821154142 599465975 /nfs/dbraw/zinc/46/59/75/599465975.db2.gz KFRFECWOHOXOQZ-SNVBAGLBSA-N -1 3 384.437 0.970 20 0 GCADHM CCN(C(=O)NCc1cc(-c2nn[n-]n2)ccc1F)[C@H](C)CS(C)(=O)=O ZINC000821154142 599465977 /nfs/dbraw/zinc/46/59/77/599465977.db2.gz KFRFECWOHOXOQZ-SNVBAGLBSA-N -1 3 384.437 0.970 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(-c3nnn[n-]3)cn2C)s1 ZINC000822267487 607380738 /nfs/dbraw/zinc/38/07/38/607380738.db2.gz WQFVTLJTYLGOFB-UHFFFAOYSA-N -1 3 395.470 0.283 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(-c3nn[n-]n3)cn2C)s1 ZINC000822267487 607380740 /nfs/dbraw/zinc/38/07/40/607380740.db2.gz WQFVTLJTYLGOFB-UHFFFAOYSA-N -1 3 395.470 0.283 20 0 GCADHM CCc1nncn1CCNC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821553448 599468987 /nfs/dbraw/zinc/46/89/87/599468987.db2.gz IIJXJHNRZVVYEO-UHFFFAOYSA-N -1 3 399.459 0.879 20 0 GCADHM CCc1nncn1CCNC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821553448 599468990 /nfs/dbraw/zinc/46/89/90/599468990.db2.gz IIJXJHNRZVVYEO-UHFFFAOYSA-N -1 3 399.459 0.879 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000737022723 599470262 /nfs/dbraw/zinc/47/02/62/599470262.db2.gz AKMCNXXKBNGBRU-FEEKEVSISA-N -1 3 379.442 0.622 20 0 GCADHM C[C@@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348603 599470269 /nfs/dbraw/zinc/47/02/69/599470269.db2.gz DUBKEEKTBONSSV-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348603 599470270 /nfs/dbraw/zinc/47/02/70/599470270.db2.gz DUBKEEKTBONSSV-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000737022723 599470264 /nfs/dbraw/zinc/47/02/64/599470264.db2.gz AKMCNXXKBNGBRU-FEEKEVSISA-N -1 3 379.442 0.622 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736223108 599470384 /nfs/dbraw/zinc/47/03/84/599470384.db2.gz HLXCRLGUAZQGCM-IBZIYZMPSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736223108 599470386 /nfs/dbraw/zinc/47/03/86/599470386.db2.gz HLXCRLGUAZQGCM-IBZIYZMPSA-N -1 3 396.860 0.827 20 0 GCADHM O=C(CCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)Nc1cccnc1 ZINC000737846212 599481911 /nfs/dbraw/zinc/48/19/11/599481911.db2.gz HMMUNUYVKMDWBZ-UHFFFAOYSA-N -1 3 387.425 0.710 20 0 GCADHM O=C(CCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)Nc1cccnc1 ZINC000737846212 599481913 /nfs/dbraw/zinc/48/19/13/599481913.db2.gz HMMUNUYVKMDWBZ-UHFFFAOYSA-N -1 3 387.425 0.710 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000822335161 599496505 /nfs/dbraw/zinc/49/65/05/599496505.db2.gz IGBNHMPJOVHDKY-LBPRGKRZSA-N -1 3 387.469 0.981 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000822335161 599496507 /nfs/dbraw/zinc/49/65/07/599496507.db2.gz IGBNHMPJOVHDKY-LBPRGKRZSA-N -1 3 387.469 0.981 20 0 GCADHM C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000820333664 599499366 /nfs/dbraw/zinc/49/93/66/599499366.db2.gz FUBLPFWKVHNDPQ-SECBINFHSA-N -1 3 392.466 0.996 20 0 GCADHM CCOC[C@H](O)CN1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736608021 599501131 /nfs/dbraw/zinc/50/11/31/599501131.db2.gz GEFXRWGIWVKTEU-OAHLLOKOSA-N -1 3 389.460 0.722 20 0 GCADHM NC(=O)Cn1cc(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cn1 ZINC000737758394 599502667 /nfs/dbraw/zinc/50/26/67/599502667.db2.gz KJCSNQJFEAHINV-UHFFFAOYSA-N -1 3 393.314 0.794 20 0 GCADHM NC(=O)Cn1cc(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cn1 ZINC000737758394 599502671 /nfs/dbraw/zinc/50/26/71/599502671.db2.gz KJCSNQJFEAHINV-UHFFFAOYSA-N -1 3 393.314 0.794 20 0 GCADHM COCCCn1ccc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC000736987582 599504019 /nfs/dbraw/zinc/50/40/19/599504019.db2.gz JOOKRCSDGUTARA-UHFFFAOYSA-N -1 3 386.420 0.728 20 0 GCADHM COCCCn1ccc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC000736987582 599504020 /nfs/dbraw/zinc/50/40/20/599504020.db2.gz JOOKRCSDGUTARA-UHFFFAOYSA-N -1 3 386.420 0.728 20 0 GCADHM O=S1(=O)CCCN1CCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC000823612483 599507442 /nfs/dbraw/zinc/50/74/42/599507442.db2.gz ADYHOMCTHKZVAG-UHFFFAOYSA-N -1 3 395.395 0.562 20 0 GCADHM O=S1(=O)CCCN1CCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC000823612483 599507444 /nfs/dbraw/zinc/50/74/44/599507444.db2.gz ADYHOMCTHKZVAG-UHFFFAOYSA-N -1 3 395.395 0.562 20 0 GCADHM CCOC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736596616 599511158 /nfs/dbraw/zinc/51/11/58/599511158.db2.gz SDNINJQIKRWRBE-UHFFFAOYSA-N -1 3 398.326 0.476 20 0 GCADHM CCOC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736596616 599511160 /nfs/dbraw/zinc/51/11/60/599511160.db2.gz SDNINJQIKRWRBE-UHFFFAOYSA-N -1 3 398.326 0.476 20 0 GCADHM CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736659449 599514026 /nfs/dbraw/zinc/51/40/26/599514026.db2.gz RXKHHPSUVNVEKJ-UHFFFAOYSA-N -1 3 386.821 0.010 20 0 GCADHM CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736659449 599514029 /nfs/dbraw/zinc/51/40/29/599514029.db2.gz RXKHHPSUVNVEKJ-UHFFFAOYSA-N -1 3 386.821 0.010 20 0 GCADHM C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820392632 599514229 /nfs/dbraw/zinc/51/42/29/599514229.db2.gz XMPNITXMLYFFOT-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000820392632 599514232 /nfs/dbraw/zinc/51/42/32/599514232.db2.gz XMPNITXMLYFFOT-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738123050 599514588 /nfs/dbraw/zinc/51/45/88/599514588.db2.gz DNXWWVUBTOGAMC-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735643032 599514710 /nfs/dbraw/zinc/51/47/10/599514710.db2.gz KJLJBUPCFOFLRM-UHFFFAOYSA-N -1 3 380.430 0.135 20 0 GCADHM CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735643032 599514712 /nfs/dbraw/zinc/51/47/12/599514712.db2.gz KJLJBUPCFOFLRM-UHFFFAOYSA-N -1 3 380.430 0.135 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@](C)(O)C1CC1 ZINC000735904040 599515182 /nfs/dbraw/zinc/51/51/82/599515182.db2.gz KIAFCJLAJKXZOC-SFHVURJKSA-N -1 3 388.428 0.870 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@](C)(O)C1CC1 ZINC000735904040 599515183 /nfs/dbraw/zinc/51/51/83/599515183.db2.gz KIAFCJLAJKXZOC-SFHVURJKSA-N -1 3 388.428 0.870 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@](C)(O)C(C)C ZINC000736637247 599517069 /nfs/dbraw/zinc/51/70/69/599517069.db2.gz USOCRXQPSKULPC-QGZVFWFLSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)C(C)C ZINC000736637247 599517072 /nfs/dbraw/zinc/51/70/72/599517072.db2.gz USOCRXQPSKULPC-QGZVFWFLSA-N -1 3 376.417 0.727 20 0 GCADHM O=C(NCC[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738057255 599517957 /nfs/dbraw/zinc/51/79/57/599517957.db2.gz ZPYITBQLLWTEBC-SECBINFHSA-N -1 3 376.270 0.374 20 0 GCADHM O=C(NCC[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738057255 599517959 /nfs/dbraw/zinc/51/79/59/599517959.db2.gz ZPYITBQLLWTEBC-SECBINFHSA-N -1 3 376.270 0.374 20 0 GCADHM CC1(C)COCCN1CCNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000820607255 599523639 /nfs/dbraw/zinc/52/36/39/599523639.db2.gz NTHYCQNHEMSBKR-UHFFFAOYSA-N -1 3 381.462 0.037 20 0 GCADHM CN(C)S(=O)(=O)c1cnn(CCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736770245 599523978 /nfs/dbraw/zinc/52/39/78/599523978.db2.gz HEYXVQRIZZGBNH-UHFFFAOYSA-N -1 3 377.430 0.783 20 0 GCADHM C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820335585 599526007 /nfs/dbraw/zinc/52/60/07/599526007.db2.gz ZWSLSFAJFDYBHU-SNVBAGLBSA-N -1 3 379.384 0.188 20 0 GCADHM C[C@@H](NC(=O)Cn1cnc2c(cnn2C)c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820335585 599526010 /nfs/dbraw/zinc/52/60/10/599526010.db2.gz ZWSLSFAJFDYBHU-SNVBAGLBSA-N -1 3 379.384 0.188 20 0 GCADHM Cc1nnc(N2CCO[C@@H](CN(C)c3cccnn3)C2)c(-c2nnn[n-]2)c1C ZINC000822509914 607382517 /nfs/dbraw/zinc/38/25/17/607382517.db2.gz HBBPPDJJBFFJCI-ZDUSSCGKSA-N -1 3 382.432 0.405 20 0 GCADHM Cc1nnc(N2CCO[C@@H](CN(C)c3cccnn3)C2)c(-c2nn[n-]n2)c1C ZINC000822509914 607382519 /nfs/dbraw/zinc/38/25/19/607382519.db2.gz HBBPPDJJBFFJCI-ZDUSSCGKSA-N -1 3 382.432 0.405 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000820752988 599536017 /nfs/dbraw/zinc/53/60/17/599536017.db2.gz VFQSMPXCHVTASO-STQMWFEESA-N -1 3 392.895 0.756 20 0 GCADHM CC(C)c1nnc2n1CCN(c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)C2 ZINC000820211551 599536663 /nfs/dbraw/zinc/53/66/63/599536663.db2.gz RSHFIQYSROTYII-UHFFFAOYSA-N -1 3 389.445 0.249 20 0 GCADHM CC(C)c1nnc2n1CCN(c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)C2 ZINC000820211551 599536665 /nfs/dbraw/zinc/53/66/65/599536665.db2.gz RSHFIQYSROTYII-UHFFFAOYSA-N -1 3 389.445 0.249 20 0 GCADHM C[C@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820329542 599538578 /nfs/dbraw/zinc/53/85/78/599538578.db2.gz XJORTPJKYZCZBZ-STQMWFEESA-N -1 3 382.428 0.960 20 0 GCADHM C[C@H](NC(=O)CN(C)C(=O)[C@H](C)n1cccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820329542 599538580 /nfs/dbraw/zinc/53/85/80/599538580.db2.gz XJORTPJKYZCZBZ-STQMWFEESA-N -1 3 382.428 0.960 20 0 GCADHM Cc1nc(SCC(=O)N(C)[C@@H]2CCN(C)C2=O)c(-c2nnn[n-]2)c(C)c1C ZINC000737481774 599553533 /nfs/dbraw/zinc/55/35/33/599553533.db2.gz ARSCZYLDRDNUJW-GFCCVEGCSA-N -1 3 389.485 0.968 20 0 GCADHM Cc1nc(SCC(=O)N(C)[C@@H]2CCN(C)C2=O)c(-c2nn[n-]n2)c(C)c1C ZINC000737481774 599553534 /nfs/dbraw/zinc/55/35/34/599553534.db2.gz ARSCZYLDRDNUJW-GFCCVEGCSA-N -1 3 389.485 0.968 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822466887 599553750 /nfs/dbraw/zinc/55/37/50/599553750.db2.gz FDOMKNKJWJNCIP-VIFPVBQESA-N -1 3 392.427 0.923 20 0 GCADHM Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822466887 599553752 /nfs/dbraw/zinc/55/37/52/599553752.db2.gz FDOMKNKJWJNCIP-VIFPVBQESA-N -1 3 392.427 0.923 20 0 GCADHM COC(=O)[C@H]1CC12CCN(c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC2 ZINC000821653841 599557349 /nfs/dbraw/zinc/55/73/49/599557349.db2.gz MPNMZSDQRMBKKM-GFCCVEGCSA-N -1 3 392.441 0.294 20 0 GCADHM COC(=O)[C@H]1CC12CCN(c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC2 ZINC000821653841 599557352 /nfs/dbraw/zinc/55/73/52/599557352.db2.gz MPNMZSDQRMBKKM-GFCCVEGCSA-N -1 3 392.441 0.294 20 0 GCADHM CN(CC(=O)N1CCOCC1)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821592487 599562285 /nfs/dbraw/zinc/56/22/85/599562285.db2.gz IDBFWHPHCOLJLT-UHFFFAOYSA-N -1 3 384.400 0.207 20 0 GCADHM CN(CC(=O)N1CCOCC1)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821592487 599562289 /nfs/dbraw/zinc/56/22/89/599562289.db2.gz IDBFWHPHCOLJLT-UHFFFAOYSA-N -1 3 384.400 0.207 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000737744488 599568036 /nfs/dbraw/zinc/56/80/36/599568036.db2.gz LAZXOGLDBIFGHI-MRXNPFEDSA-N -1 3 393.407 0.937 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737738260 599576216 /nfs/dbraw/zinc/57/62/16/599576216.db2.gz GYCSNFDIKGJLST-DTWKUNHWSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737738260 599576218 /nfs/dbraw/zinc/57/62/18/599576218.db2.gz GYCSNFDIKGJLST-DTWKUNHWSA-N -1 3 391.819 0.619 20 0 GCADHM O=C1NCCN1[C@H]1CCCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)C1 ZINC000823548120 599577100 /nfs/dbraw/zinc/57/71/00/599577100.db2.gz UHDQAZZKCQGBAV-AWEZNQCLSA-N -1 3 395.427 0.906 20 0 GCADHM O=C1NCCN1[C@H]1CCCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000823548120 599577103 /nfs/dbraw/zinc/57/71/03/599577103.db2.gz UHDQAZZKCQGBAV-AWEZNQCLSA-N -1 3 395.427 0.906 20 0 GCADHM COCCCOC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000821687595 599577298 /nfs/dbraw/zinc/57/72/98/599577298.db2.gz GQVMZCPJYKDEIH-UHFFFAOYSA-N -1 3 396.473 0.536 20 0 GCADHM COCCCOC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000821687595 599577299 /nfs/dbraw/zinc/57/72/99/599577299.db2.gz GQVMZCPJYKDEIH-UHFFFAOYSA-N -1 3 396.473 0.536 20 0 GCADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCn3ccnc3C2)C1=O ZINC000736221934 599577900 /nfs/dbraw/zinc/57/79/00/599577900.db2.gz CSBGYVOIDUFOIG-GOSISDBHSA-N -1 3 393.411 0.304 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCn3ccnc3C2)C1=O ZINC000736221934 599577903 /nfs/dbraw/zinc/57/79/03/599577903.db2.gz CSBGYVOIDUFOIG-GOSISDBHSA-N -1 3 393.411 0.304 20 0 GCADHM CCOC(=O)CNC(=O)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821330002 607384824 /nfs/dbraw/zinc/38/48/24/607384824.db2.gz AMDQFLWQRIQANW-UHFFFAOYSA-N -1 3 376.392 0.902 20 0 GCADHM CCOC(=O)CNC(=O)C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821330064 607385047 /nfs/dbraw/zinc/38/50/47/607385047.db2.gz CONYOAYVURONPF-UHFFFAOYSA-N -1 3 376.392 0.902 20 0 GCADHM CCOC(=O)CNC(=O)C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821330064 607385049 /nfs/dbraw/zinc/38/50/49/607385049.db2.gz CONYOAYVURONPF-UHFFFAOYSA-N -1 3 376.392 0.902 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOC2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000822899319 599584112 /nfs/dbraw/zinc/58/41/12/599584112.db2.gz GIFFXQIGDQIVMT-UHFFFAOYSA-N -1 3 382.446 0.512 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCOC2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000822899319 599584114 /nfs/dbraw/zinc/58/41/14/599584114.db2.gz GIFFXQIGDQIVMT-UHFFFAOYSA-N -1 3 382.446 0.512 20 0 GCADHM O=C1NCCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)[C@H]1c1ccccc1 ZINC000738316003 599588030 /nfs/dbraw/zinc/58/80/30/599588030.db2.gz OEOZCNGWYYLAHW-WMZOPIPTSA-N -1 3 394.435 0.780 20 0 GCADHM CC[C@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736398081 599589371 /nfs/dbraw/zinc/58/93/71/599589371.db2.gz YJEHNNQMHXNGCC-NSHDSACASA-N -1 3 389.485 0.956 20 0 GCADHM CC[C@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736398081 599589373 /nfs/dbraw/zinc/58/93/73/599589373.db2.gz YJEHNNQMHXNGCC-NSHDSACASA-N -1 3 389.485 0.956 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NCCOCCS(C)(=O)=O ZINC000822204407 599591214 /nfs/dbraw/zinc/59/12/14/599591214.db2.gz OCISWBCNZRQWLK-UHFFFAOYSA-N -1 3 394.432 0.757 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NCCOCCS(C)(=O)=O ZINC000822204407 599591216 /nfs/dbraw/zinc/59/12/16/599591216.db2.gz OCISWBCNZRQWLK-UHFFFAOYSA-N -1 3 394.432 0.757 20 0 GCADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCCOCCS(C)(=O)=O)c2c1 ZINC000822196373 599591290 /nfs/dbraw/zinc/59/12/90/599591290.db2.gz GVRKPMMFEATDEA-UHFFFAOYSA-N -1 3 390.469 0.927 20 0 GCADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCCOCCS(C)(=O)=O)c2c1 ZINC000822196373 599591293 /nfs/dbraw/zinc/59/12/93/599591293.db2.gz GVRKPMMFEATDEA-UHFFFAOYSA-N -1 3 390.469 0.927 20 0 GCADHM COC(=O)CN(CCC(=O)Nc1sccc1-c1nnn[n-]1)C1CCOCC1 ZINC000821662818 599592335 /nfs/dbraw/zinc/59/23/35/599592335.db2.gz UVAVXCHXTDXUMH-UHFFFAOYSA-N -1 3 394.457 0.911 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000826251031 607385650 /nfs/dbraw/zinc/38/56/50/607385650.db2.gz CETDJMQHULOXAK-AAEUAGOBSA-N -1 3 386.412 0.444 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000826251031 607385652 /nfs/dbraw/zinc/38/56/52/607385652.db2.gz CETDJMQHULOXAK-AAEUAGOBSA-N -1 3 386.412 0.444 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000826251032 607385746 /nfs/dbraw/zinc/38/57/46/607385746.db2.gz CETDJMQHULOXAK-DGCLKSJQSA-N -1 3 386.412 0.444 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000826251032 607385748 /nfs/dbraw/zinc/38/57/48/607385748.db2.gz CETDJMQHULOXAK-DGCLKSJQSA-N -1 3 386.412 0.444 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1(=O)=O ZINC000736290950 599595511 /nfs/dbraw/zinc/59/55/11/599595511.db2.gz SERGOPFCBNJKEO-QMMMGPOBSA-N -1 3 391.862 0.328 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1(=O)=O ZINC000736290950 599595512 /nfs/dbraw/zinc/59/55/12/599595512.db2.gz SERGOPFCBNJKEO-QMMMGPOBSA-N -1 3 391.862 0.328 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000737743816 599597916 /nfs/dbraw/zinc/59/79/16/599597916.db2.gz KFRKHANVIPVJHR-IUCAKERBSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000737743816 599597917 /nfs/dbraw/zinc/59/79/17/599597917.db2.gz KFRKHANVIPVJHR-IUCAKERBSA-N -1 3 384.849 0.843 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(c3ccccn3)CC2)c1-c1nnn[n-]1 ZINC000822312951 599599933 /nfs/dbraw/zinc/59/99/33/599599933.db2.gz KAPDMFKFFCILAH-UHFFFAOYSA-N -1 3 392.423 0.857 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(c3ccccn3)CC2)c1-c1nn[n-]n1 ZINC000822312951 599599935 /nfs/dbraw/zinc/59/99/35/599599935.db2.gz KAPDMFKFFCILAH-UHFFFAOYSA-N -1 3 392.423 0.857 20 0 GCADHM CNC(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821633051 599601040 /nfs/dbraw/zinc/60/10/40/599601040.db2.gz WCTDLBXLLQAGHS-UHFFFAOYSA-N -1 3 399.333 0.466 20 0 GCADHM CNC(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821633051 599601042 /nfs/dbraw/zinc/60/10/42/599601042.db2.gz WCTDLBXLLQAGHS-UHFFFAOYSA-N -1 3 399.333 0.466 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000823207041 599603649 /nfs/dbraw/zinc/60/36/49/599603649.db2.gz ZLRNKNRECLUMMY-UHFFFAOYSA-N -1 3 392.383 0.305 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000823207041 599603650 /nfs/dbraw/zinc/60/36/50/599603650.db2.gz ZLRNKNRECLUMMY-UHFFFAOYSA-N -1 3 392.383 0.305 20 0 GCADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)CC2 ZINC000822462685 599604357 /nfs/dbraw/zinc/60/43/57/599604357.db2.gz LVKMONRUTMDVJH-LLVKDONJSA-N -1 3 381.400 0.145 20 0 GCADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)CC2 ZINC000822462685 599604359 /nfs/dbraw/zinc/60/43/59/599604359.db2.gz LVKMONRUTMDVJH-LLVKDONJSA-N -1 3 381.400 0.145 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000822312690 599604618 /nfs/dbraw/zinc/60/46/18/599604618.db2.gz IMPDGMKDIRJIQV-OLZOCXBDSA-N -1 3 387.444 0.339 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000822312690 599604619 /nfs/dbraw/zinc/60/46/19/599604619.db2.gz IMPDGMKDIRJIQV-OLZOCXBDSA-N -1 3 387.444 0.339 20 0 GCADHM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000822864527 599605299 /nfs/dbraw/zinc/60/52/99/599605299.db2.gz CLPUKIBOMTYLET-ZETCQYMHSA-N -1 3 397.317 0.158 20 0 GCADHM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000822864527 599605301 /nfs/dbraw/zinc/60/53/01/599605301.db2.gz CLPUKIBOMTYLET-ZETCQYMHSA-N -1 3 397.317 0.158 20 0 GCADHM CS(=O)(=O)c1cccc(OCCOC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737171902 599605419 /nfs/dbraw/zinc/60/54/19/599605419.db2.gz FUHJQEXDHIQFHC-UHFFFAOYSA-N -1 3 389.393 0.901 20 0 GCADHM CS(=O)(=O)c1cccc(OCCOC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737171902 599605420 /nfs/dbraw/zinc/60/54/20/599605420.db2.gz FUHJQEXDHIQFHC-UHFFFAOYSA-N -1 3 389.393 0.901 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCN(C)CC(F)(F)F)c1-c1nnn[n-]1 ZINC000822318924 599606488 /nfs/dbraw/zinc/60/64/88/599606488.db2.gz BWJSTMNDNOWZOL-UHFFFAOYSA-N -1 3 385.350 0.724 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCN(C)CC(F)(F)F)c1-c1nn[n-]n1 ZINC000822318924 599606489 /nfs/dbraw/zinc/60/64/89/599606489.db2.gz BWJSTMNDNOWZOL-UHFFFAOYSA-N -1 3 385.350 0.724 20 0 GCADHM C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821943068 599606769 /nfs/dbraw/zinc/60/67/69/599606769.db2.gz SQYUFSJTQNERPO-AREMUKBSSA-N -1 3 390.347 0.319 20 0 GCADHM C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821943068 599606771 /nfs/dbraw/zinc/60/67/71/599606771.db2.gz SQYUFSJTQNERPO-AREMUKBSSA-N -1 3 390.347 0.319 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)C2 ZINC000822312132 599607155 /nfs/dbraw/zinc/60/71/55/599607155.db2.gz AVXQFOJJDVFALQ-UHFFFAOYSA-N -1 3 380.412 0.969 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)C2 ZINC000822312132 599607156 /nfs/dbraw/zinc/60/71/56/599607156.db2.gz AVXQFOJJDVFALQ-UHFFFAOYSA-N -1 3 380.412 0.969 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)c1-c1nnn[n-]1 ZINC000822315094 599607282 /nfs/dbraw/zinc/60/72/82/599607282.db2.gz ZCURDMQIUFFLQG-CZFJJDJESA-N -1 3 376.442 0.482 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)c1-c1nn[n-]n1 ZINC000822315094 599607284 /nfs/dbraw/zinc/60/72/84/599607284.db2.gz ZCURDMQIUFFLQG-CZFJJDJESA-N -1 3 376.442 0.482 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c1-c1nnn[n-]1 ZINC000822315096 599607653 /nfs/dbraw/zinc/60/76/53/599607653.db2.gz ZCURDMQIUFFLQG-FEEKEVSISA-N -1 3 376.442 0.482 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c1-c1nn[n-]n1 ZINC000822315096 599607655 /nfs/dbraw/zinc/60/76/55/599607655.db2.gz ZCURDMQIUFFLQG-FEEKEVSISA-N -1 3 376.442 0.482 20 0 GCADHM COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)CC(C)C ZINC000821640996 599609591 /nfs/dbraw/zinc/60/95/91/599609591.db2.gz TXTOVJDRZHTVJH-JTQLQIEISA-N -1 3 392.391 0.896 20 0 GCADHM COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)CC(C)C ZINC000821640996 599609592 /nfs/dbraw/zinc/60/95/92/599609592.db2.gz TXTOVJDRZHTVJH-JTQLQIEISA-N -1 3 392.391 0.896 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccco1 ZINC000821755240 599610458 /nfs/dbraw/zinc/61/04/58/599610458.db2.gz CBSYWPOFICHOTC-KRWDZBQOSA-N -1 3 386.368 0.431 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@](C)(O)c1ccco1 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3 392.335 0.768 20 0 GCADHM CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000821633832 599660018 /nfs/dbraw/zinc/66/00/18/599660018.db2.gz GAGCMJVNBBOCLT-MFKMUULPSA-N -1 3 387.400 0.223 20 0 GCADHM COc1ncnc(OC)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821920595 599660893 /nfs/dbraw/zinc/66/08/93/599660893.db2.gz UXOJQZROAQTEMT-VIFPVBQESA-N -1 3 399.367 0.858 20 0 GCADHM COc1ncnc(OC)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821920595 599660894 /nfs/dbraw/zinc/66/08/94/599660894.db2.gz UXOJQZROAQTEMT-VIFPVBQESA-N -1 3 399.367 0.858 20 0 GCADHM CNC(=O)C1(C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCC1 ZINC000821631762 599660941 /nfs/dbraw/zinc/66/09/41/599660941.db2.gz RUVLQQZFGVLOAP-UHFFFAOYSA-N -1 3 383.368 0.876 20 0 GCADHM CNC(=O)C1(C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCC1 ZINC000821631762 599660942 /nfs/dbraw/zinc/66/09/42/599660942.db2.gz RUVLQQZFGVLOAP-UHFFFAOYSA-N -1 3 383.368 0.876 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)OCc1ccon1 ZINC000822954759 599661764 /nfs/dbraw/zinc/66/17/64/599661764.db2.gz BZKJIVQTBREGJY-CYBMUJFWSA-N -1 3 397.351 0.803 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)OCc1ccon1 ZINC000822954759 599661765 /nfs/dbraw/zinc/66/17/65/599661765.db2.gz BZKJIVQTBREGJY-CYBMUJFWSA-N -1 3 397.351 0.803 20 0 GCADHM C[C@](O)(Cc1ccccc1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820467163 599662656 /nfs/dbraw/zinc/66/26/56/599662656.db2.gz BCCHMPIDEAOTIO-KXBFYZLASA-N -1 3 381.392 0.930 20 0 GCADHM C[C@](O)(Cc1ccccc1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820467163 599662657 /nfs/dbraw/zinc/66/26/57/599662657.db2.gz BCCHMPIDEAOTIO-KXBFYZLASA-N -1 3 381.392 0.930 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000821862367 599669108 /nfs/dbraw/zinc/66/91/08/599669108.db2.gz AADBTYBFXHNVEU-OAHLLOKOSA-N -1 3 398.427 0.715 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821862367 599669109 /nfs/dbraw/zinc/66/91/09/599669109.db2.gz AADBTYBFXHNVEU-OAHLLOKOSA-N -1 3 398.427 0.715 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000820467332 599671179 /nfs/dbraw/zinc/67/11/79/599671179.db2.gz DOOUUQHYLGOECQ-BXUZGUMPSA-N -1 3 391.428 0.700 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000820467332 599671180 /nfs/dbraw/zinc/67/11/80/599671180.db2.gz DOOUUQHYLGOECQ-BXUZGUMPSA-N -1 3 391.428 0.700 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000823155872 599674434 /nfs/dbraw/zinc/67/44/34/599674434.db2.gz ZEMKECIAQXTEQJ-GASCZTMLSA-N -1 3 384.444 0.803 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000823155872 599674435 /nfs/dbraw/zinc/67/44/35/599674435.db2.gz ZEMKECIAQXTEQJ-GASCZTMLSA-N -1 3 384.444 0.803 20 0 GCADHM Cn1nc2c(cc1=O)CN(C(=O)NCc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000822704175 599675384 /nfs/dbraw/zinc/67/53/84/599675384.db2.gz IXKOMCJBZWJZKI-UHFFFAOYSA-N -1 3 384.375 0.367 20 0 GCADHM Cn1nc2c(cc1=O)CN(C(=O)NCc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000822704175 599675385 /nfs/dbraw/zinc/67/53/85/599675385.db2.gz IXKOMCJBZWJZKI-UHFFFAOYSA-N -1 3 384.375 0.367 20 0 GCADHM C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820474037 599676325 /nfs/dbraw/zinc/67/63/25/599676325.db2.gz PMPPTVOFCHPWDM-CYBMUJFWSA-N -1 3 388.476 0.890 20 0 GCADHM C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820474037 599676326 /nfs/dbraw/zinc/67/63/26/599676326.db2.gz PMPPTVOFCHPWDM-CYBMUJFWSA-N -1 3 388.476 0.890 20 0 GCADHM CC(C)COC[C@H](O)CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820103279 599677794 /nfs/dbraw/zinc/67/77/94/599677794.db2.gz SJDUNVFMTKQAEN-CQSZACIVSA-N -1 3 378.433 0.578 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000822699401 599678663 /nfs/dbraw/zinc/67/86/63/599678663.db2.gz ZNJNSMDVJRRVMI-UHFFFAOYSA-N -1 3 399.434 0.767 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000822699401 599678664 /nfs/dbraw/zinc/67/86/64/599678664.db2.gz ZNJNSMDVJRRVMI-UHFFFAOYSA-N -1 3 399.434 0.767 20 0 GCADHM C[C@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820353347 599681295 /nfs/dbraw/zinc/68/12/95/599681295.db2.gz YZGDKFWIRKZGES-NSHDSACASA-N -1 3 380.412 0.789 20 0 GCADHM C[C@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820353347 599681296 /nfs/dbraw/zinc/68/12/96/599681296.db2.gz YZGDKFWIRKZGES-NSHDSACASA-N -1 3 380.412 0.789 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000822222826 599683594 /nfs/dbraw/zinc/68/35/94/599683594.db2.gz VDDHTOBZDSKLBQ-UHFFFAOYSA-N -1 3 387.425 0.016 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000822222826 599683595 /nfs/dbraw/zinc/68/35/95/599683595.db2.gz VDDHTOBZDSKLBQ-UHFFFAOYSA-N -1 3 387.425 0.016 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000820525568 599691843 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0.623 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000822218028 599693204 /nfs/dbraw/zinc/69/32/04/599693204.db2.gz WAXSXNRNLMWBBS-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823176411 599693791 /nfs/dbraw/zinc/69/37/91/599693791.db2.gz TXWWJMJKUJOQJU-PWJLMRLQSA-N -1 3 388.363 0.506 20 0 GCADHM O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823176411 599693792 /nfs/dbraw/zinc/69/37/92/599693792.db2.gz TXWWJMJKUJOQJU-PWJLMRLQSA-N -1 3 388.363 0.506 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000820735112 599694070 /nfs/dbraw/zinc/69/40/70/599694070.db2.gz QFSONDGUEIBYQC-KWQFWETISA-N -1 3 384.318 0.983 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000820735112 599694071 /nfs/dbraw/zinc/69/40/71/599694071.db2.gz QFSONDGUEIBYQC-KWQFWETISA-N -1 3 384.318 0.983 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000822222437 599694794 /nfs/dbraw/zinc/69/47/94/599694794.db2.gz GQIRRAWBXCNQOZ-UHFFFAOYSA-N -1 3 388.457 0.420 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000822222437 599694795 /nfs/dbraw/zinc/69/47/95/599694795.db2.gz GQIRRAWBXCNQOZ-UHFFFAOYSA-N -1 3 388.457 0.420 20 0 GCADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000821655898 599695980 /nfs/dbraw/zinc/69/59/80/599695980.db2.gz TZAJHBKUQIDGPL-ZIAGYGMSSA-N -1 3 399.455 0.890 20 0 GCADHM COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000821655898 599695981 /nfs/dbraw/zinc/69/59/81/599695981.db2.gz TZAJHBKUQIDGPL-ZIAGYGMSSA-N -1 3 399.455 0.890 20 0 GCADHM O=C([C@@H](O)C1CCOCC1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822911823 599696114 /nfs/dbraw/zinc/69/61/14/599696114.db2.gz AVNDDUPPSPOVPP-KRWDZBQOSA-N -1 3 386.456 0.298 20 0 GCADHM O=C([C@@H](O)C1CCOCC1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822911823 599696115 /nfs/dbraw/zinc/69/61/15/599696115.db2.gz AVNDDUPPSPOVPP-KRWDZBQOSA-N -1 3 386.456 0.298 20 0 GCADHM O=CNc1ccc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000823551009 599696344 /nfs/dbraw/zinc/69/63/44/599696344.db2.gz BMRBZMFQGOAGBE-UHFFFAOYSA-N -1 3 378.396 0.792 20 0 GCADHM O=CNc1ccc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000823551009 599696345 /nfs/dbraw/zinc/69/63/45/599696345.db2.gz BMRBZMFQGOAGBE-UHFFFAOYSA-N -1 3 378.396 0.792 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCN1Cc1ccccn1 ZINC000823202592 599697036 /nfs/dbraw/zinc/69/70/36/599697036.db2.gz XRKIVGZKUSYBHE-MRXNPFEDSA-N -1 3 393.455 0.849 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCN1Cc1ccccn1 ZINC000823202592 599697037 /nfs/dbraw/zinc/69/70/37/599697037.db2.gz XRKIVGZKUSYBHE-MRXNPFEDSA-N -1 3 393.455 0.849 20 0 GCADHM COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000821655840 599697946 /nfs/dbraw/zinc/69/79/46/599697946.db2.gz SHHUIJLPXKGHSN-UONOGXRCSA-N -1 3 399.455 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C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000820315877 607439453 /nfs/dbraw/zinc/43/94/53/607439453.db2.gz QICXHOUKQMNAFY-QMMMGPOBSA-N -1 3 378.364 0.791 20 0 GCADHM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821658603 607441580 /nfs/dbraw/zinc/44/15/80/607441580.db2.gz CBHSTMFGJXMKAC-NSHDSACASA-N -1 3 388.384 0.368 20 0 GCADHM COC(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821658603 607441582 /nfs/dbraw/zinc/44/15/82/607441582.db2.gz CBHSTMFGJXMKAC-NSHDSACASA-N -1 3 388.384 0.368 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825663807 607441748 /nfs/dbraw/zinc/44/17/48/607441748.db2.gz WRJWAHJYFOCVNJ-ZDUSSCGKSA-N -1 3 378.458 0.891 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825663807 607441750 /nfs/dbraw/zinc/44/17/50/607441750.db2.gz WRJWAHJYFOCVNJ-ZDUSSCGKSA-N -1 3 378.458 0.891 20 0 GCADHM Cn1ccnc1[C@@H](O)C1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822699404 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CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000737115437 600470340 /nfs/dbraw/zinc/47/03/40/600470340.db2.gz PHQSSJQQKYHZDS-CJNGLKHVSA-N -1 3 375.425 0.856 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824297092 607447827 /nfs/dbraw/zinc/44/78/27/607447827.db2.gz PWPUPEIVEOQBHX-GOSISDBHSA-N -1 3 398.427 0.481 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824297092 607447828 /nfs/dbraw/zinc/44/78/28/607447828.db2.gz PWPUPEIVEOQBHX-GOSISDBHSA-N -1 3 398.427 0.481 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCCN(C(N)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000822540632 607448324 /nfs/dbraw/zinc/44/83/24/607448324.db2.gz DDVOCNDQEVRZJG-SNVBAGLBSA-N -1 3 376.421 0.490 20 0 GCADHM O=C(CCNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)N1CCOCC1 ZINC000826435184 607449131 /nfs/dbraw/zinc/44/91/31/607449131.db2.gz IGIWTAZYUYLXQX-UHFFFAOYSA-N -1 3 385.428 0.404 20 0 GCADHM O=C(CCNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)N1CCOCC1 ZINC000826435184 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ZINC000833089911 601776905 /nfs/dbraw/zinc/77/69/05/601776905.db2.gz GIWACLQKTGAMJC-SFHVURJKSA-N -1 3 387.396 0.319 20 0 GCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833089911 601776907 /nfs/dbraw/zinc/77/69/07/601776907.db2.gz GIWACLQKTGAMJC-SFHVURJKSA-N -1 3 387.396 0.319 20 0 GCADHM O=C(CCN1CCOCC1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000833100049 601777122 /nfs/dbraw/zinc/77/71/22/601777122.db2.gz MPLZYJXAPGTKGF-FQEVSTJZSA-N -1 3 375.469 0.944 20 0 GCADHM C[C@H](CS(=O)(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)C(=O)[O-] ZINC000827546162 601787564 /nfs/dbraw/zinc/78/75/64/601787564.db2.gz IKWHEWYMYVYDLE-MRXNPFEDSA-N -1 3 383.514 0.787 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826398953 607529476 /nfs/dbraw/zinc/52/94/76/607529476.db2.gz JESBUZWCXCVFHX-ZDUSSCGKSA-N -1 3 379.428 0.369 20 0 GCADHM O=C([C@H]1CCn2cncc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826398953 607529477 /nfs/dbraw/zinc/52/94/77/607529477.db2.gz JESBUZWCXCVFHX-ZDUSSCGKSA-N -1 3 379.428 0.369 20 0 GCADHM O=C([C@@H]1CCn2cncc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826398952 607529488 /nfs/dbraw/zinc/52/94/88/607529488.db2.gz JESBUZWCXCVFHX-CYBMUJFWSA-N -1 3 379.428 0.369 20 0 GCADHM O=C([C@@H]1CCn2cncc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826398952 607529489 /nfs/dbraw/zinc/52/94/89/607529489.db2.gz JESBUZWCXCVFHX-CYBMUJFWSA-N -1 3 379.428 0.369 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)CN1CCN(C)CC1 ZINC000827461008 601858729 /nfs/dbraw/zinc/85/87/29/601858729.db2.gz JRSAOEBBDSBQBT-LBPRGKRZSA-N -1 3 380.420 0.462 20 0 GCADHM C[C@@]1(C(=O)[O-])CCN(CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000828024162 601917789 /nfs/dbraw/zinc/91/77/89/601917789.db2.gz JIDTVZOSSNRTBX-HXUWFJFHSA-N -1 3 375.469 0.932 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826084315 607539054 /nfs/dbraw/zinc/53/90/54/607539054.db2.gz YTJAQQUCCCMAJN-GXFFZTMASA-N -1 3 379.446 0.261 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826084315 607539056 /nfs/dbraw/zinc/53/90/56/607539056.db2.gz YTJAQQUCCCMAJN-GXFFZTMASA-N -1 3 379.446 0.261 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000826084398 607542547 /nfs/dbraw/zinc/54/25/47/607542547.db2.gz ZWDLEKLMQIRHOJ-MRVPVSSYSA-N -1 3 395.395 0.821 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000826084398 607542548 /nfs/dbraw/zinc/54/25/48/607542548.db2.gz ZWDLEKLMQIRHOJ-MRVPVSSYSA-N -1 3 395.395 0.821 20 0 GCADHM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825307612 607544858 /nfs/dbraw/zinc/54/48/58/607544858.db2.gz HJSJRWCIZBOTJX-GFCCVEGCSA-N -1 3 399.498 0.763 20 0 GCADHM CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825307612 607544860 /nfs/dbraw/zinc/54/48/60/607544860.db2.gz HJSJRWCIZBOTJX-GFCCVEGCSA-N -1 3 399.498 0.763 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000825605604 607551370 /nfs/dbraw/zinc/55/13/70/607551370.db2.gz YQELVRPKGYSLDU-AWEZNQCLSA-N -1 3 381.458 0.991 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000825605604 607551373 /nfs/dbraw/zinc/55/13/73/607551373.db2.gz YQELVRPKGYSLDU-AWEZNQCLSA-N -1 3 381.458 0.991 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC000826159709 607546666 /nfs/dbraw/zinc/54/66/66/607546666.db2.gz PHHMYXFSMRQBQG-CYBMUJFWSA-N -1 3 380.474 0.516 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C[C@H]1C ZINC000826159709 607546668 /nfs/dbraw/zinc/54/66/68/607546668.db2.gz PHHMYXFSMRQBQG-CYBMUJFWSA-N -1 3 380.474 0.516 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC000826161052 607548222 /nfs/dbraw/zinc/54/82/22/607548222.db2.gz RBLAOUXGXKCJJD-CYBMUJFWSA-N -1 3 381.458 0.849 20 0 GCADHM COCCOC[C@@H]1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC000826161052 607548223 /nfs/dbraw/zinc/54/82/23/607548223.db2.gz RBLAOUXGXKCJJD-CYBMUJFWSA-N -1 3 381.458 0.849 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC000826161053 607548449 /nfs/dbraw/zinc/54/84/49/607548449.db2.gz RBLAOUXGXKCJJD-ZDUSSCGKSA-N -1 3 381.458 0.849 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC000826161053 607548451 /nfs/dbraw/zinc/54/84/51/607548451.db2.gz RBLAOUXGXKCJJD-ZDUSSCGKSA-N -1 3 381.458 0.849 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c1-c1nnn[n-]1 ZINC000826301476 607548749 /nfs/dbraw/zinc/54/87/49/607548749.db2.gz GBRAHGQMLVZQLO-CYBMUJFWSA-N -1 3 389.441 0.671 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H](c3cnn(C)c3)C2)c1-c1nn[n-]n1 ZINC000826301476 607548750 /nfs/dbraw/zinc/54/87/50/607548750.db2.gz GBRAHGQMLVZQLO-CYBMUJFWSA-N -1 3 389.441 0.671 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1-c1nnn[n-]1 ZINC000826301952 607549585 /nfs/dbraw/zinc/54/95/85/607549585.db2.gz VWZYOPAOPUSREI-AWEZNQCLSA-N -1 3 392.485 0.518 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC000826301952 607549587 /nfs/dbraw/zinc/54/95/87/607549587.db2.gz VWZYOPAOPUSREI-AWEZNQCLSA-N -1 3 392.485 0.518 20 0 GCADHM COC[C@@](C)(CC(=O)[O-])NCC(=O)Nc1cc(-n2cnnn2)ccc1Cl ZINC000831578472 602206443 /nfs/dbraw/zinc/20/64/43/602206443.db2.gz OIIOKXZMDXBFNT-OAHLLOKOSA-N -1 3 382.808 0.724 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000830935069 602221615 /nfs/dbraw/zinc/22/16/15/602221615.db2.gz OICBASXJQZTEBR-LBPRGKRZSA-N -1 3 387.483 0.373 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000830934296 602221894 /nfs/dbraw/zinc/22/18/94/602221894.db2.gz DTWBYBJFQBJUKD-HNNXBMFYSA-N -1 3 381.454 0.312 20 0 GCADHM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000832852129 602222378 /nfs/dbraw/zinc/22/23/78/602222378.db2.gz QCDPPTRIMLSDMG-OAHLLOKOSA-N -1 3 395.481 0.620 20 0 GCADHM Cn1c2nnc(CNC3(CC(=O)[O-])CCOCC3)n2c2ccsc2c1=O ZINC000833038162 602255872 /nfs/dbraw/zinc/25/58/72/602255872.db2.gz PAICTLKAGOXSOH-UHFFFAOYSA-N -1 3 377.426 0.756 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)C1 ZINC000826083731 607556156 /nfs/dbraw/zinc/55/61/56/607556156.db2.gz PAENDPXCPRQJQC-LLVKDONJSA-N -1 3 388.400 0.592 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)C1 ZINC000826083731 607556157 /nfs/dbraw/zinc/55/61/57/607556157.db2.gz PAENDPXCPRQJQC-LLVKDONJSA-N -1 3 388.400 0.592 20 0 GCADHM COC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCOCC1 ZINC000826145080 607556265 /nfs/dbraw/zinc/55/62/65/607556265.db2.gz ZGWWHVUXGBSNNC-UHFFFAOYSA-N -1 3 387.849 0.994 20 0 GCADHM COC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCOCC1 ZINC000826145080 607556267 /nfs/dbraw/zinc/55/62/67/607556267.db2.gz ZGWWHVUXGBSNNC-UHFFFAOYSA-N -1 3 387.849 0.994 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000826084288 607557139 /nfs/dbraw/zinc/55/71/39/607557139.db2.gz XXTFEOXRZVBWMU-SNVBAGLBSA-N -1 3 399.502 0.107 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000826084288 607557140 /nfs/dbraw/zinc/55/71/40/607557140.db2.gz XXTFEOXRZVBWMU-SNVBAGLBSA-N -1 3 399.502 0.107 20 0 GCADHM CNS(=O)(=O)c1ccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)nc1 ZINC000826089954 607559243 /nfs/dbraw/zinc/55/92/43/607559243.db2.gz AYLKHMQXLCGKEY-UHFFFAOYSA-N -1 3 375.414 0.791 20 0 GCADHM CNS(=O)(=O)c1ccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)nc1 ZINC000826089954 607559244 /nfs/dbraw/zinc/55/92/44/607559244.db2.gz AYLKHMQXLCGKEY-UHFFFAOYSA-N -1 3 375.414 0.791 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@@H](O)c2ccncc2)cc1 ZINC000826394872 607561821 /nfs/dbraw/zinc/56/18/21/607561821.db2.gz CLBOXATUHURDAT-OAHLLOKOSA-N -1 3 391.395 0.493 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@@H](O)c2ccncc2)cc1 ZINC000826394872 607561823 /nfs/dbraw/zinc/56/18/23/607561823.db2.gz CLBOXATUHURDAT-OAHLLOKOSA-N -1 3 391.395 0.493 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)OCC(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826337566 607564461 /nfs/dbraw/zinc/56/44/61/607564461.db2.gz SWVWZMSOXFXKGW-LBPRGKRZSA-N -1 3 382.384 0.511 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)OCC(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826337566 607564462 /nfs/dbraw/zinc/56/44/62/607564462.db2.gz SWVWZMSOXFXKGW-LBPRGKRZSA-N -1 3 382.384 0.511 20 0 GCADHM COc1ccc(CNC(=O)NCC2(CS(C)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000826200137 607567405 /nfs/dbraw/zinc/56/74/05/607567405.db2.gz ZSFXCECTGZLZCM-UHFFFAOYSA-N -1 3 394.457 0.499 20 0 GCADHM COc1ccc(CNC(=O)NCC2(CS(C)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000826200137 607567406 /nfs/dbraw/zinc/56/74/06/607567406.db2.gz ZSFXCECTGZLZCM-UHFFFAOYSA-N -1 3 394.457 0.499 20 0 GCADHM CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC000825470301 607569179 /nfs/dbraw/zinc/56/91/79/607569179.db2.gz AXQBXMFVTJJYHK-LBPRGKRZSA-N -1 3 388.432 0.478 20 0 GCADHM CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC000825470301 607569181 /nfs/dbraw/zinc/56/91/81/607569181.db2.gz AXQBXMFVTJJYHK-LBPRGKRZSA-N -1 3 388.432 0.478 20 0 GCADHM COc1ccc(CNC(=O)NCCCO[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826199552 607569721 /nfs/dbraw/zinc/56/97/21/607569721.db2.gz CWWNTGVVCZFJEF-CYBMUJFWSA-N -1 3 376.417 0.870 20 0 GCADHM COc1ccc(CNC(=O)NCCCO[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826199552 607569723 /nfs/dbraw/zinc/56/97/23/607569723.db2.gz CWWNTGVVCZFJEF-CYBMUJFWSA-N -1 3 376.417 0.870 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1)CC2 ZINC000826337640 607565984 /nfs/dbraw/zinc/56/59/84/607565984.db2.gz VQLHCMTYKIZGAP-VIFPVBQESA-N -1 3 388.413 0.572 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1)CC2 ZINC000826337640 607565985 /nfs/dbraw/zinc/56/59/85/607565985.db2.gz VQLHCMTYKIZGAP-VIFPVBQESA-N -1 3 388.413 0.572 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cc1-c1nnn[n-]1 ZINC000826198327 607571180 /nfs/dbraw/zinc/57/11/80/607571180.db2.gz VJNZEGLDXXQUCW-MRXNPFEDSA-N -1 3 398.427 0.892 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@@H](c3cnn(C)c3)C2)cc1-c1nn[n-]n1 ZINC000826198327 607571182 /nfs/dbraw/zinc/57/11/82/607571182.db2.gz VJNZEGLDXXQUCW-MRXNPFEDSA-N -1 3 398.427 0.892 20 0 GCADHM COc1ccc(CNC(=O)NCC2(OC)CCOCC2)cc1-c1nnn[n-]1 ZINC000826200138 607573528 /nfs/dbraw/zinc/57/35/28/607573528.db2.gz ZVQFOJMBQOFHMM-UHFFFAOYSA-N -1 3 376.417 0.870 20 0 GCADHM COc1ccc(CNC(=O)NCC2(OC)CCOCC2)cc1-c1nn[n-]n1 ZINC000826200138 607573530 /nfs/dbraw/zinc/57/35/30/607573530.db2.gz ZVQFOJMBQOFHMM-UHFFFAOYSA-N -1 3 376.417 0.870 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1-c1nnn[n-]1 ZINC000826199128 607571719 /nfs/dbraw/zinc/57/17/19/607571719.db2.gz QRYDHNHZFBQOHM-NHYWBVRUSA-N -1 3 375.433 0.394 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000826199128 607571721 /nfs/dbraw/zinc/57/17/21/607571721.db2.gz QRYDHNHZFBQOHM-NHYWBVRUSA-N -1 3 375.433 0.394 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826197672 607574204 /nfs/dbraw/zinc/57/42/04/607574204.db2.gz YZFCDJOZADJYSV-GHMZBOCLSA-N -1 3 396.473 0.838 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826197672 607574206 /nfs/dbraw/zinc/57/42/06/607574206.db2.gz YZFCDJOZADJYSV-GHMZBOCLSA-N -1 3 396.473 0.838 20 0 GCADHM COc1ccc(CNC(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826197300 607576394 /nfs/dbraw/zinc/57/63/94/607576394.db2.gz JCXSXMINRZGEGH-LBPRGKRZSA-N -1 3 394.457 0.451 20 0 GCADHM COc1ccc(CNC(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826197300 607576395 /nfs/dbraw/zinc/57/63/95/607576395.db2.gz JCXSXMINRZGEGH-LBPRGKRZSA-N -1 3 394.457 0.451 20 0 GCADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825394460 607576956 /nfs/dbraw/zinc/57/69/56/607576956.db2.gz DNKLPMOUPFQKJR-LLVKDONJSA-N -1 3 385.471 0.373 20 0 GCADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825394460 607576958 /nfs/dbraw/zinc/57/69/58/607576958.db2.gz DNKLPMOUPFQKJR-LLVKDONJSA-N -1 3 385.471 0.373 20 0 GCADHM C[C@H]1CN(CCCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC000824984394 607581667 /nfs/dbraw/zinc/58/16/67/607581667.db2.gz JKYMADVJIFHSNG-RYUDHWBXSA-N -1 3 398.464 0.783 20 0 GCADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825425019 607811747 /nfs/dbraw/zinc/81/17/47/607811747.db2.gz XQUNLASLJUAQPZ-UHFFFAOYSA-N -1 3 395.413 0.200 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1-c1nnn[n-]1 ZINC000826303174 607582366 /nfs/dbraw/zinc/58/23/66/607582366.db2.gz CNYXFVVNQAWGOV-ZIAGYGMSSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)c1-c1nn[n-]n1 ZINC000826303174 607582367 /nfs/dbraw/zinc/58/23/67/607582367.db2.gz CNYXFVVNQAWGOV-ZIAGYGMSSA-N -1 3 394.501 0.953 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1-c1nnn[n-]1 ZINC000826196934 607582890 /nfs/dbraw/zinc/58/28/90/607582890.db2.gz SRMSULMNJIEWCW-CHWSQXEVSA-N -1 3 398.423 0.667 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1-c1nn[n-]n1 ZINC000826196934 607582893 /nfs/dbraw/zinc/58/28/93/607582893.db2.gz SRMSULMNJIEWCW-CHWSQXEVSA-N -1 3 398.423 0.667 20 0 GCADHM COc1ccc(CNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1-c1nnn[n-]1 ZINC000826197452 607583088 /nfs/dbraw/zinc/58/30/88/607583088.db2.gz PLIUCBNHSVKZPO-UHFFFAOYSA-N -1 3 391.395 0.710 20 0 GCADHM COc1ccc(CNC(=O)Cc2ccc(-n3cnnn3)cc2)cc1-c1nn[n-]n1 ZINC000826197452 607583089 /nfs/dbraw/zinc/58/30/89/607583089.db2.gz PLIUCBNHSVKZPO-UHFFFAOYSA-N -1 3 391.395 0.710 20 0 GCADHM CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825499407 607583255 /nfs/dbraw/zinc/58/32/55/607583255.db2.gz MKZIKSUJLBBOEE-NSHDSACASA-N -1 3 397.482 0.844 20 0 GCADHM CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825499407 607583257 /nfs/dbraw/zinc/58/32/57/607583257.db2.gz MKZIKSUJLBBOEE-NSHDSACASA-N -1 3 397.482 0.844 20 0 GCADHM COc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1-c1nnn[n-]1 ZINC000826197109 607584292 /nfs/dbraw/zinc/58/42/92/607584292.db2.gz ZXIODKGTPMSKIF-UHFFFAOYSA-N -1 3 385.384 0.634 20 0 GCADHM COc1ccc(CNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1-c1nn[n-]n1 ZINC000826197109 607584293 /nfs/dbraw/zinc/58/42/93/607584293.db2.gz ZXIODKGTPMSKIF-UHFFFAOYSA-N -1 3 385.384 0.634 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2CN(CC(C)C)CCO2)c1-c1nnn[n-]1 ZINC000826303277 607585895 /nfs/dbraw/zinc/58/58/95/607585895.db2.gz HYRMDMMTAQJDGO-AWEZNQCLSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2CN(CC(C)C)CCO2)c1-c1nn[n-]n1 ZINC000826303277 607585896 /nfs/dbraw/zinc/58/58/96/607585896.db2.gz HYRMDMMTAQJDGO-AWEZNQCLSA-N -1 3 394.501 0.810 20 0 GCADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825425019 607811746 /nfs/dbraw/zinc/81/17/46/607811746.db2.gz XQUNLASLJUAQPZ-UHFFFAOYSA-N -1 3 395.413 0.200 20 0 GCADHM COc1ccc(CNC(=O)c2ccnc(-n3cncn3)c2)cc1-c1nnn[n-]1 ZINC000826201302 607591823 /nfs/dbraw/zinc/59/18/23/607591823.db2.gz JXCBEHMWYBTUAI-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM COc1ccc(CNC(=O)c2ccnc(-n3cncn3)c2)cc1-c1nn[n-]n1 ZINC000826201302 607591824 /nfs/dbraw/zinc/59/18/24/607591824.db2.gz JXCBEHMWYBTUAI-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cc1-c1nnn[n-]1 ZINC000826196029 607592406 /nfs/dbraw/zinc/59/24/06/607592406.db2.gz OIDFXLQMYYUPHO-CABZTGNLSA-N -1 3 398.345 0.949 20 0 GCADHM COc1ccc(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cc1-c1nn[n-]n1 ZINC000826196029 607592408 /nfs/dbraw/zinc/59/24/08/607592408.db2.gz OIDFXLQMYYUPHO-CABZTGNLSA-N -1 3 398.345 0.949 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c1-c1nnn[n-]1 ZINC000826302548 607592989 /nfs/dbraw/zinc/59/29/89/607592989.db2.gz MOHUAEDZDFOPRE-UHFFFAOYSA-N -1 3 378.336 0.132 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC(=O)NCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826302548 607592991 /nfs/dbraw/zinc/59/29/91/607592991.db2.gz MOHUAEDZDFOPRE-UHFFFAOYSA-N -1 3 378.336 0.132 20 0 GCADHM COc1ccc(COC(=O)c2sccc2S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000826206702 607599678 /nfs/dbraw/zinc/59/96/78/607599678.db2.gz HZLCKLZPQHHTNL-UHFFFAOYSA-N -1 3 395.422 0.941 20 0 GCADHM COc1ccc(COC(=O)c2sccc2S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000826206702 607599679 /nfs/dbraw/zinc/59/96/79/607599679.db2.gz HZLCKLZPQHHTNL-UHFFFAOYSA-N -1 3 395.422 0.941 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1-c1nnn[n-]1 ZINC000826303408 607602143 /nfs/dbraw/zinc/60/21/43/607602143.db2.gz NOUJKUILQDVYOY-STQMWFEESA-N -1 3 378.458 0.317 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)Nc1ccccc1 ZINC000826413046 607603380 /nfs/dbraw/zinc/60/33/80/607603380.db2.gz OCSGRSAZGBUVIG-UHFFFAOYSA-N -1 3 376.373 0.923 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1C ZINC000824640589 607604332 /nfs/dbraw/zinc/60/43/32/607604332.db2.gz LSLXXBNJZKZZLW-NWDGAFQWSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1C ZINC000824640589 607604333 /nfs/dbraw/zinc/60/43/33/607604333.db2.gz LSLXXBNJZKZZLW-NWDGAFQWSA-N -1 3 378.458 0.935 20 0 GCADHM COCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826159700 607606735 /nfs/dbraw/zinc/60/67/35/607606735.db2.gz OYUABGMNTVZJCH-GFCCVEGCSA-N -1 3 384.437 0.395 20 0 GCADHM CCS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825663416 607606742 /nfs/dbraw/zinc/60/67/42/607606742.db2.gz OCHVOVFSXCBTLB-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM CCS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825663416 607606744 /nfs/dbraw/zinc/60/67/44/607606744.db2.gz OCHVOVFSXCBTLB-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM COc1ccc(COC(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1-c1nnn[n-]1 ZINC000826205563 607607567 /nfs/dbraw/zinc/60/75/67/607607567.db2.gz AOQBLFFZUHDYOO-UHFFFAOYSA-N -1 3 395.379 0.806 20 0 GCADHM COc1ccc(COC(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1-c1nn[n-]n1 ZINC000826205563 607607568 /nfs/dbraw/zinc/60/75/68/607607568.db2.gz AOQBLFFZUHDYOO-UHFFFAOYSA-N -1 3 395.379 0.806 20 0 GCADHM C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824859575 607608031 /nfs/dbraw/zinc/60/80/31/607608031.db2.gz QQOYRVRCKHJXOO-SSDOTTSWSA-N -1 3 390.347 0.395 20 0 GCADHM COc1ccc(CNC(=O)[C@H](NS(C)(=O)=O)C(C)C)cc1-c1nnn[n-]1 ZINC000826195861 607608568 /nfs/dbraw/zinc/60/85/68/607608568.db2.gz IGHSJCXLYAEQCU-CYBMUJFWSA-N -1 3 382.446 0.065 20 0 GCADHM COc1ccc(CNC(=O)[C@H](NS(C)(=O)=O)C(C)C)cc1-c1nn[n-]n1 ZINC000826195861 607608570 /nfs/dbraw/zinc/60/85/70/607608570.db2.gz IGHSJCXLYAEQCU-CYBMUJFWSA-N -1 3 382.446 0.065 20 0 GCADHM COc1ccc(CNC(=O)Cn2nnc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000826197589 607610247 /nfs/dbraw/zinc/61/02/47/607610247.db2.gz VSVGNVRQDRUHNJ-UHFFFAOYSA-N -1 3 391.395 0.845 20 0 GCADHM COc1ccc(CNC(=O)Cn2nnc(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000826197589 607610249 /nfs/dbraw/zinc/61/02/49/607610249.db2.gz VSVGNVRQDRUHNJ-UHFFFAOYSA-N -1 3 391.395 0.845 20 0 GCADHM O=c1oc2ccccc2n1CCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826502013 607611217 /nfs/dbraw/zinc/61/12/17/607611217.db2.gz QHOKCCBBTMXBBF-UHFFFAOYSA-N -1 3 386.393 0.753 20 0 GCADHM O=c1oc2ccccc2n1CCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826502013 607611218 /nfs/dbraw/zinc/61/12/18/607611218.db2.gz QHOKCCBBTMXBBF-UHFFFAOYSA-N -1 3 386.393 0.753 20 0 GCADHM COc1ccc(COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826204388 607613379 /nfs/dbraw/zinc/61/33/79/607613379.db2.gz IYJLESSIFKFJGB-CYBMUJFWSA-N -1 3 397.457 0.882 20 0 GCADHM COc1ccc(COC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826204388 607613381 /nfs/dbraw/zinc/61/33/81/607613381.db2.gz IYJLESSIFKFJGB-CYBMUJFWSA-N -1 3 397.457 0.882 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1c1ccccc1 ZINC000826477475 607614177 /nfs/dbraw/zinc/61/41/77/607614177.db2.gz DVYYWIWZQJTHQZ-AWEZNQCLSA-N -1 3 384.421 0.951 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1c1ccccc1 ZINC000826477475 607614178 /nfs/dbraw/zinc/61/41/78/607614178.db2.gz DVYYWIWZQJTHQZ-AWEZNQCLSA-N -1 3 384.421 0.951 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1CC(F)(F)F ZINC000826477482 607614319 /nfs/dbraw/zinc/61/43/19/607614319.db2.gz FABDOMUCDVNKQK-VIFPVBQESA-N -1 3 390.347 0.308 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1CC(F)(F)F ZINC000826477482 607614320 /nfs/dbraw/zinc/61/43/20/607614320.db2.gz FABDOMUCDVNKQK-VIFPVBQESA-N -1 3 390.347 0.308 20 0 GCADHM CCc1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000825750334 607616675 /nfs/dbraw/zinc/61/66/75/607616675.db2.gz QJHWYAVHVBMTBJ-SNVBAGLBSA-N -1 3 392.420 0.453 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111212 607617985 /nfs/dbraw/zinc/61/79/85/607617985.db2.gz AJXBPXSLRHJWFH-ABAIWWIYSA-N -1 3 388.428 0.883 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111212 607617987 /nfs/dbraw/zinc/61/79/87/607617987.db2.gz AJXBPXSLRHJWFH-ABAIWWIYSA-N -1 3 388.428 0.883 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)CC1 ZINC000826112072 607618113 /nfs/dbraw/zinc/61/81/13/607618113.db2.gz RQLIALBSONJFIH-AWEZNQCLSA-N -1 3 390.400 0.653 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000826112072 607618115 /nfs/dbraw/zinc/61/81/15/607618115.db2.gz RQLIALBSONJFIH-AWEZNQCLSA-N -1 3 390.400 0.653 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111215 607618275 /nfs/dbraw/zinc/61/82/75/607618275.db2.gz AJXBPXSLRHJWFH-XHDPSFHLSA-N -1 3 388.428 0.883 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111215 607618276 /nfs/dbraw/zinc/61/82/76/607618276.db2.gz AJXBPXSLRHJWFH-XHDPSFHLSA-N -1 3 388.428 0.883 20 0 GCADHM C[S@@](=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826225001 607618773 /nfs/dbraw/zinc/61/87/73/607618773.db2.gz QYSXSABNYPCBGV-HSZRJFAPSA-N -1 3 383.377 0.542 20 0 GCADHM Cn1nccc1COC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826366429 607619044 /nfs/dbraw/zinc/61/90/44/607619044.db2.gz HNVXFHWJWKSHNZ-UHFFFAOYSA-N -1 3 376.398 0.258 20 0 GCADHM Cn1nccc1COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826366429 607619046 /nfs/dbraw/zinc/61/90/46/607619046.db2.gz HNVXFHWJWKSHNZ-UHFFFAOYSA-N -1 3 376.398 0.258 20 0 GCADHM COc1ccc(CNC(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1-c1nnn[n-]1 ZINC000826200241 607620462 /nfs/dbraw/zinc/62/04/62/607620462.db2.gz GGWJQCDHAMEKGJ-UHFFFAOYSA-N -1 3 399.415 0.482 20 0 GCADHM COc1ccc(CNC(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1-c1nn[n-]n1 ZINC000826200241 607620464 /nfs/dbraw/zinc/62/04/64/607620464.db2.gz GGWJQCDHAMEKGJ-UHFFFAOYSA-N -1 3 399.415 0.482 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(OC)c(-c3nnn[n-]3)c1)CC2 ZINC000825750576 607621672 /nfs/dbraw/zinc/62/16/72/607621672.db2.gz SUWLOKCEEROANA-GFCCVEGCSA-N -1 3 397.443 0.843 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)NCc1ccc(OC)c(-c3nn[n-]n3)c1)CC2 ZINC000825750576 607621674 /nfs/dbraw/zinc/62/16/74/607621674.db2.gz SUWLOKCEEROANA-GFCCVEGCSA-N -1 3 397.443 0.843 20 0 GCADHM COc1ccc(CNC(=O)NCCN2CCO[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000826199929 607621887 /nfs/dbraw/zinc/62/18/87/607621887.db2.gz RTAPHCCQHLJIJF-LBPRGKRZSA-N -1 3 375.433 0.395 20 0 GCADHM COc1ccc(CNC(=O)NCCN2CCO[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC000826199929 607621889 /nfs/dbraw/zinc/62/18/89/607621889.db2.gz RTAPHCCQHLJIJF-LBPRGKRZSA-N -1 3 375.433 0.395 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826111682 607623243 /nfs/dbraw/zinc/62/32/43/607623243.db2.gz JVZBHORYADSXAF-NHYWBVRUSA-N -1 3 388.428 0.883 20 0 GCADHM COC(=O)[C@@H](O)C1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826111682 607623245 /nfs/dbraw/zinc/62/32/45/607623245.db2.gz JVZBHORYADSXAF-NHYWBVRUSA-N -1 3 388.428 0.883 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@@H](Cn3cncn3)C2)cc1-c1nnn[n-]1 ZINC000826197992 607623285 /nfs/dbraw/zinc/62/32/85/607623285.db2.gz IYOGVVCYNCMTOG-CYBMUJFWSA-N -1 3 399.415 0.077 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@@H](Cn3cncn3)C2)cc1-c1nn[n-]n1 ZINC000826197992 607623287 /nfs/dbraw/zinc/62/32/87/607623287.db2.gz IYOGVVCYNCMTOG-CYBMUJFWSA-N -1 3 399.415 0.077 20 0 GCADHM COCCN1CCN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000826159574 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393.400 0.724 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)CC2 ZINC000824364683 607620699 /nfs/dbraw/zinc/62/06/99/607620699.db2.gz PXAMWHOIQAQTOV-NSHDSACASA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)CC2 ZINC000824364683 607620700 /nfs/dbraw/zinc/62/07/00/607620700.db2.gz PXAMWHOIQAQTOV-NSHDSACASA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)COC[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824271656 607626149 /nfs/dbraw/zinc/62/61/49/607626149.db2.gz QGHAXYBVYWRJHY-NSHDSACASA-N -1 3 389.865 0.832 20 0 GCADHM CC(C)COC[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000824271656 607626150 /nfs/dbraw/zinc/62/61/50/607626150.db2.gz QGHAXYBVYWRJHY-NSHDSACASA-N -1 3 389.865 0.832 20 0 GCADHM C[C@H](O)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000824679291 607628812 /nfs/dbraw/zinc/62/88/12/607628812.db2.gz RZJPMIBXBMWPIO-AAEUAGOBSA-N -1 3 382.428 0.868 20 0 GCADHM 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BAGFRNLHWKEOTM-ZDUSSCGKSA-N -1 3 378.458 0.352 20 0 GCADHM CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000825119194 607654330 /nfs/dbraw/zinc/65/43/30/607654330.db2.gz AMJQZVFTSZSZOH-CQSZACIVSA-N -1 3 380.474 0.252 20 0 GCADHM CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825119194 607654332 /nfs/dbraw/zinc/65/43/32/607654332.db2.gz AMJQZVFTSZSZOH-CQSZACIVSA-N -1 3 380.474 0.252 20 0 GCADHM CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825120283 607654408 /nfs/dbraw/zinc/65/44/08/607654408.db2.gz JOFOUYTWFHTHKH-GFCCVEGCSA-N -1 3 384.437 0.083 20 0 GCADHM CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825120283 607654410 /nfs/dbraw/zinc/65/44/10/607654410.db2.gz JOFOUYTWFHTHKH-GFCCVEGCSA-N -1 3 384.437 0.083 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000825120751 607654434 /nfs/dbraw/zinc/65/44/34/607654434.db2.gz MMKXDTOKUWCNSD-ZDUSSCGKSA-N -1 3 380.474 0.252 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000825120751 607654436 /nfs/dbraw/zinc/65/44/36/607654436.db2.gz MMKXDTOKUWCNSD-ZDUSSCGKSA-N -1 3 380.474 0.252 20 0 GCADHM O=S(=O)(NCC1(CO)CC1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826490572 607659900 /nfs/dbraw/zinc/65/99/00/607659900.db2.gz ZNTLQGZZZIBFIB-UHFFFAOYSA-N -1 3 388.247 0.680 20 0 GCADHM O=S(=O)(NCC1(CO)CC1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826490572 607659901 /nfs/dbraw/zinc/65/99/01/607659901.db2.gz ZNTLQGZZZIBFIB-UHFFFAOYSA-N -1 3 388.247 0.680 20 0 GCADHM O=S(=O)(NCC1(CO)CC1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826490071 607659949 /nfs/dbraw/zinc/65/99/49/607659949.db2.gz JFFNMMPJPBSTKK-UHFFFAOYSA-N -1 3 377.348 0.936 20 0 GCADHM O=S(=O)(NCC1(CO)CC1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826490071 607659951 /nfs/dbraw/zinc/65/99/51/607659951.db2.gz JFFNMMPJPBSTKK-UHFFFAOYSA-N -1 3 377.348 0.936 20 0 GCADHM CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1=O ZINC000824296542 607660137 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GCADHM Cc1cccc(S(=O)(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)c1-c1nn[n-]n1 ZINC000826301064 607671039 /nfs/dbraw/zinc/67/10/39/607671039.db2.gz PYODQSAODYDDMW-VXGBXAGGSA-N -1 3 376.442 0.607 20 0 GCADHM CCc1n[nH]c(=O)c(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1CC ZINC000825740341 607671943 /nfs/dbraw/zinc/67/19/43/607671943.db2.gz SDVFKDFHGHGSDF-UHFFFAOYSA-N -1 3 389.441 0.966 20 0 GCADHM CCc1n[nH]c(=O)c(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1CC ZINC000825740341 607671944 /nfs/dbraw/zinc/67/19/44/607671944.db2.gz SDVFKDFHGHGSDF-UHFFFAOYSA-N -1 3 389.441 0.966 20 0 GCADHM O=S(=O)(NCC1(O)CCC2(CC1)OCCO2)c1ccccc1-c1nnn[n-]1 ZINC000826490025 607673161 /nfs/dbraw/zinc/67/31/61/607673161.db2.gz HTNCBCFNYJJMMG-UHFFFAOYSA-N -1 3 395.441 0.193 20 0 GCADHM O=S(=O)(NCC1(O)CCC2(CC1)OCCO2)c1ccccc1-c1nn[n-]n1 ZINC000826490025 607673162 /nfs/dbraw/zinc/67/31/62/607673162.db2.gz HTNCBCFNYJJMMG-UHFFFAOYSA-N -1 3 395.441 0.193 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825583904 607676384 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0.588 20 0 GCADHM O=S(=O)(NCC1(CO)CCOCC1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826489856 607680956 /nfs/dbraw/zinc/68/09/56/607680956.db2.gz BUWDFZZHCIJENR-UHFFFAOYSA-N -1 3 387.849 0.588 20 0 GCADHM CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000826004180 607682952 /nfs/dbraw/zinc/68/29/52/607682952.db2.gz MKPANPFCPWSVBC-ZDUSSCGKSA-N -1 3 375.414 0.850 20 0 GCADHM CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000826004180 607682954 /nfs/dbraw/zinc/68/29/54/607682954.db2.gz MKPANPFCPWSVBC-ZDUSSCGKSA-N -1 3 375.414 0.850 20 0 GCADHM COCCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000826157325 607684333 /nfs/dbraw/zinc/68/43/33/607684333.db2.gz QYEMIUXGHFACFZ-CYBMUJFWSA-N -1 3 379.442 0.451 20 0 GCADHM COCCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@@H]1CCS(=O)(=O)C1 ZINC000826157325 607684335 /nfs/dbraw/zinc/68/43/35/607684335.db2.gz QYEMIUXGHFACFZ-CYBMUJFWSA-N -1 3 379.442 0.451 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC000830935223 604318474 /nfs/dbraw/zinc/31/84/74/604318474.db2.gz SPPWHYXJVSRHOT-MRXNPFEDSA-N -1 3 390.440 0.920 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824796503 607685713 /nfs/dbraw/zinc/68/57/13/607685713.db2.gz PJWNFLIUUFXWPN-AWEZNQCLSA-N -1 3 390.469 0.746 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824796503 607685714 /nfs/dbraw/zinc/68/57/14/607685714.db2.gz PJWNFLIUUFXWPN-AWEZNQCLSA-N -1 3 390.469 0.746 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000826248558 607686685 /nfs/dbraw/zinc/68/66/85/607686685.db2.gz NNLDWPOCAXKYBF-UHFFFAOYSA-N -1 3 396.498 0.284 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000826248558 607686687 /nfs/dbraw/zinc/68/66/87/607686687.db2.gz NNLDWPOCAXKYBF-UHFFFAOYSA-N -1 3 396.498 0.284 20 0 GCADHM COCCn1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000826163802 607688074 /nfs/dbraw/zinc/68/80/74/607688074.db2.gz MDHXLTRYLZKEIT-UHFFFAOYSA-N -1 3 381.393 0.327 20 0 GCADHM COCCn1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000826163802 607688075 /nfs/dbraw/zinc/68/80/75/607688075.db2.gz MDHXLTRYLZKEIT-UHFFFAOYSA-N -1 3 381.393 0.327 20 0 GCADHM CCOC(=O)C1(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCC1 ZINC000825494456 607688508 /nfs/dbraw/zinc/68/85/08/607688508.db2.gz XCDUHANUOGZSIR-UHFFFAOYSA-N -1 3 385.428 0.644 20 0 GCADHM CCOC(=O)C1(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCC1 ZINC000825494456 607688510 /nfs/dbraw/zinc/68/85/10/607688510.db2.gz XCDUHANUOGZSIR-UHFFFAOYSA-N -1 3 385.428 0.644 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000830934612 604410293 /nfs/dbraw/zinc/41/02/93/604410293.db2.gz IQMTVDXGKKYOMX-INIZCTEOSA-N -1 3 375.425 0.529 20 0 GCADHM COCCn1cc(S(=O)(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000826163845 607691010 /nfs/dbraw/zinc/69/10/10/607691010.db2.gz OALMWHMBDFMASJ-UHFFFAOYSA-N -1 3 389.441 0.677 20 0 GCADHM CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000824304615 607691512 /nfs/dbraw/zinc/69/15/12/607691512.db2.gz CVGRZMFLSPYMRK-UHFFFAOYSA-N -1 3 389.441 0.812 20 0 GCADHM CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000824304615 607691514 /nfs/dbraw/zinc/69/15/14/607691514.db2.gz CVGRZMFLSPYMRK-UHFFFAOYSA-N -1 3 389.441 0.812 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000824938224 607691548 /nfs/dbraw/zinc/69/15/48/607691548.db2.gz UZFGEIFCMPIMSH-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000824938224 607691550 /nfs/dbraw/zinc/69/15/50/607691550.db2.gz UZFGEIFCMPIMSH-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000826038708 607696822 /nfs/dbraw/zinc/69/68/22/607696822.db2.gz VWJVFRNTXQGOTD-UHFFFAOYSA-N -1 3 380.412 0.835 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000826246616 607699009 /nfs/dbraw/zinc/69/90/09/607699009.db2.gz HQDZREXSJPAFNZ-NHYWBVRUSA-N 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Cn1ccnc1[C@](O)(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC000826363981 607704324 /nfs/dbraw/zinc/70/43/24/607704324.db2.gz HKBKXFTVPSPHJS-CYBMUJFWSA-N -1 3 384.322 0.498 20 0 GCADHM Cn1ccnc1[C@](O)(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC000826363981 607704325 /nfs/dbraw/zinc/70/43/25/607704325.db2.gz HKBKXFTVPSPHJS-CYBMUJFWSA-N -1 3 384.322 0.498 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000826473891 607708003 /nfs/dbraw/zinc/70/80/03/607708003.db2.gz SFGRGGRZXQHLBD-UHFFFAOYSA-N -1 3 391.395 0.669 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000826248509 607711766 /nfs/dbraw/zinc/71/17/66/607711766.db2.gz MBFXWSGVAQFDSZ-UHFFFAOYSA-N -1 3 392.466 0.945 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000826248509 607711768 /nfs/dbraw/zinc/71/17/68/607711768.db2.gz MBFXWSGVAQFDSZ-UHFFFAOYSA-N -1 3 392.466 0.945 20 0 GCADHM COc1cc(C(=O)[O-])ccc1OC[C@H](O)CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000831918537 604754660 /nfs/dbraw/zinc/75/46/60/604754660.db2.gz OZLFUBSVRVYZQW-IIAWOOMASA-N -1 3 382.457 0.520 20 0 GCADHM COC(=O)c1cc(NC(=O)[C@H](C)N2CCO[C@@H](CN(C)C)C2)cc(C(=O)[O-])c1 ZINC000831257530 604759709 /nfs/dbraw/zinc/75/97/09/604759709.db2.gz JQMYIKFHTHFGQK-LRDDRELGSA-N -1 3 393.440 0.761 20 0 GCADHM CN(C)C[C@H]1CN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CCO1 ZINC000830600565 604759754 /nfs/dbraw/zinc/75/97/54/604759754.db2.gz MQRRILLTQPXJDY-MAUKXSAKSA-N -1 3 388.468 0.542 20 0 GCADHM CC(C)Cn1c(N)c(C(=O)CN[C@@]2(C)CCCC[C@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC000833494360 604820763 /nfs/dbraw/zinc/82/07/63/604820763.db2.gz PMFFPNFGULZRCA-VOJFVSQTSA-N -1 3 380.445 0.993 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824770194 607721750 /nfs/dbraw/zinc/72/17/50/607721750.db2.gz GIVZFMJVTYFQET-SECBINFHSA-N -1 3 375.414 0.675 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824770194 607721751 /nfs/dbraw/zinc/72/17/51/607721751.db2.gz GIVZFMJVTYFQET-SECBINFHSA-N -1 3 375.414 0.675 20 0 GCADHM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826090965 607722295 /nfs/dbraw/zinc/72/22/95/607722295.db2.gz SKWDNTWKKAOKIA-SECBINFHSA-N -1 3 375.414 0.594 20 0 GCADHM CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826090965 607722297 /nfs/dbraw/zinc/72/22/97/607722297.db2.gz SKWDNTWKKAOKIA-SECBINFHSA-N -1 3 375.414 0.594 20 0 GCADHM CC(C)OCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000824314501 607724683 /nfs/dbraw/zinc/72/46/83/607724683.db2.gz CCTCQMSVOMLBJP-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)OCCCNC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000824314501 607724685 /nfs/dbraw/zinc/72/46/85/607724685.db2.gz CCTCQMSVOMLBJP-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CCOC(=O)NCCCC(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825523793 607727381 /nfs/dbraw/zinc/72/73/81/607727381.db2.gz UZJHLGOCAHYGFK-UHFFFAOYSA-N -1 3 382.402 0.936 20 0 GCADHM CCOC(=O)NCCCC(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000825523793 607727382 /nfs/dbraw/zinc/72/73/82/607727382.db2.gz UZJHLGOCAHYGFK-UHFFFAOYSA-N -1 3 382.402 0.936 20 0 GCADHM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000833618373 605168041 /nfs/dbraw/zinc/16/80/41/605168041.db2.gz BCPGHIIRCCDPHG-YLJYHZDGSA-N -1 3 388.512 0.983 20 0 GCADHM COCCOCCS(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826161228 607740565 /nfs/dbraw/zinc/74/05/65/607740565.db2.gz YFWOZGRKTJHPNQ-UHFFFAOYSA-N -1 3 381.458 0.824 20 0 GCADHM COCCOCCS(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826161228 607740566 /nfs/dbraw/zinc/74/05/66/607740566.db2.gz YFWOZGRKTJHPNQ-UHFFFAOYSA-N -1 3 381.458 0.824 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000826471822 607740795 /nfs/dbraw/zinc/74/07/95/607740795.db2.gz NPZAYSMRZCUUSV-CQSZACIVSA-N -1 3 397.439 0.393 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000826471822 607740796 /nfs/dbraw/zinc/74/07/96/607740796.db2.gz NPZAYSMRZCUUSV-CQSZACIVSA-N -1 3 397.439 0.393 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nnn[n-]2)c(F)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000826493282 607741674 /nfs/dbraw/zinc/74/16/74/607741674.db2.gz CNLNRSPQVXFHLR-SECBINFHSA-N -1 3 380.361 0.931 20 0 GCADHM O=S(=O)(Oc1ccc(-c2nn[n-]n2)c(F)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000826493282 607741675 /nfs/dbraw/zinc/74/16/75/607741675.db2.gz CNLNRSPQVXFHLR-SECBINFHSA-N -1 3 380.361 0.931 20 0 GCADHM C[C@@H](Oc1ccc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1)C(=O)[O-] ZINC000833537784 605235803 /nfs/dbraw/zinc/23/58/03/605235803.db2.gz ANMYZHVPNHQVCQ-WBVHZDCISA-N -1 3 391.468 0.561 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826495593 607744414 /nfs/dbraw/zinc/74/44/14/607744414.db2.gz UOOSFGNKJMZSLT-NSHDSACASA-N -1 3 392.420 0.698 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826495592 607744457 /nfs/dbraw/zinc/74/44/57/607744457.db2.gz UOOSFGNKJMZSLT-LLVKDONJSA-N -1 3 392.420 0.698 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826486788 607744665 /nfs/dbraw/zinc/74/46/65/607744665.db2.gz QLKNDRUUJBSWKA-AWEZNQCLSA-N -1 3 388.457 0.700 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826486788 607744666 /nfs/dbraw/zinc/74/46/66/607744666.db2.gz QLKNDRUUJBSWKA-AWEZNQCLSA-N -1 3 388.457 0.700 20 0 GCADHM CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@H](C)C1 ZINC000823972791 607746173 /nfs/dbraw/zinc/74/61/73/607746173.db2.gz GZEMYPNRUCMMPU-NOZJJQNGSA-N -1 3 382.421 0.541 20 0 GCADHM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2=O)c1 ZINC000826181243 607746789 /nfs/dbraw/zinc/74/67/89/607746789.db2.gz QVPZZHWPTXGRDF-HNNXBMFYSA-N -1 3 397.395 0.747 20 0 GCADHM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2=O)c1 ZINC000826181243 607746790 /nfs/dbraw/zinc/74/67/90/607746790.db2.gz QVPZZHWPTXGRDF-HNNXBMFYSA-N -1 3 397.395 0.747 20 0 GCADHM CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)CC1 ZINC000826038666 607746793 /nfs/dbraw/zinc/74/67/93/607746793.db2.gz UBTFCOVRDIXXRJ-UHFFFAOYSA-N -1 3 394.439 0.764 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC000824991591 607746944 /nfs/dbraw/zinc/74/69/44/607746944.db2.gz CMLULLKYALTMSU-QWRGUYRKSA-N -1 3 381.462 0.373 20 0 GCADHM CC(C)S(=O)(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC000824991591 607746945 /nfs/dbraw/zinc/74/69/45/607746945.db2.gz CMLULLKYALTMSU-QWRGUYRKSA-N -1 3 381.462 0.373 20 0 GCADHM Cn1cc(O)c(=O)cc1CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826362156 607748065 /nfs/dbraw/zinc/74/80/65/607748065.db2.gz GFHRQPZWKKBHEE-HNNXBMFYSA-N -1 3 395.423 0.556 20 0 GCADHM CN(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)S(=O)(=O)c1cccs1 ZINC000825941226 607755165 /nfs/dbraw/zinc/75/51/65/607755165.db2.gz FAUXLQKHQPSZLP-UHFFFAOYSA-N -1 3 381.443 0.307 20 0 GCADHM CN(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)S(=O)(=O)c1cccs1 ZINC000825941226 607755166 /nfs/dbraw/zinc/75/51/66/607755166.db2.gz FAUXLQKHQPSZLP-UHFFFAOYSA-N -1 3 381.443 0.307 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CN(C)CCO2)cc1-c1nnn[n-]1 ZINC000825530781 607760987 /nfs/dbraw/zinc/76/09/87/607760987.db2.gz FJMYZTIOJYJAIJ-CYBMUJFWSA-N -1 3 375.389 0.704 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@H]2CN(C)CCO2)cc1-c1nn[n-]n1 ZINC000825530781 607760988 /nfs/dbraw/zinc/76/09/88/607760988.db2.gz FJMYZTIOJYJAIJ-CYBMUJFWSA-N -1 3 375.389 0.704 20 0 GCADHM CS[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826226395 607764433 /nfs/dbraw/zinc/76/44/33/607764433.db2.gz YUKNKBDPQLJKML-VHSXEESVSA-N -1 3 384.487 0.401 20 0 GCADHM CS[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826226395 607764434 /nfs/dbraw/zinc/76/44/34/607764434.db2.gz YUKNKBDPQLJKML-VHSXEESVSA-N -1 3 384.487 0.401 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CC(=O)N(C)C2)cc1-c1nnn[n-]1 ZINC000825538803 607765401 /nfs/dbraw/zinc/76/54/01/607765401.db2.gz KEBRULPESLCELK-SNVBAGLBSA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CC(=O)N(C)C2)cc1-c1nn[n-]n1 ZINC000825538803 607765402 /nfs/dbraw/zinc/76/54/02/607765402.db2.gz KEBRULPESLCELK-SNVBAGLBSA-N -1 3 388.388 0.787 20 0 GCADHM O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000826433971 607768435 /nfs/dbraw/zinc/76/84/35/607768435.db2.gz YAJGETYNPBQOKO-LBPRGKRZSA-N -1 3 393.450 0.493 20 0 GCADHM O=C(NC[C@H](O)CS(=O)(=O)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000826433971 607768436 /nfs/dbraw/zinc/76/84/36/607768436.db2.gz YAJGETYNPBQOKO-LBPRGKRZSA-N -1 3 393.450 0.493 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Cc1ccccc1OC ZINC000826103440 607771026 /nfs/dbraw/zinc/77/10/26/607771026.db2.gz GVSILGHFYCAVGI-CYBMUJFWSA-N -1 3 384.396 0.965 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Cc1ccccc1OC ZINC000826103440 607771027 /nfs/dbraw/zinc/77/10/27/607771027.db2.gz GVSILGHFYCAVGI-CYBMUJFWSA-N -1 3 384.396 0.965 20 0 GCADHM COC(=O)[C@H]1CCN(CCC(=O)NCC(=O)c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000833710810 605849334 /nfs/dbraw/zinc/84/93/34/605849334.db2.gz YBPJMRVZHUTDEB-LSDHHAIUSA-N -1 3 376.409 0.714 20 0 GCADHM COCCN1CCC(NC(=O)C(=O)Nc2cc(F)c(F)cc2C(=O)[O-])CC1 ZINC000833723817 605905270 /nfs/dbraw/zinc/90/52/70/605905270.db2.gz BLSSIMFECAKVFP-UHFFFAOYSA-N -1 3 385.367 0.829 20 0 GCADHM CC(C)(C)C(=O)Cn1cc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000819892137 606021346 /nfs/dbraw/zinc/02/13/46/606021346.db2.gz WEFQHLIRXGGDIP-UHFFFAOYSA-N -1 3 398.427 0.882 20 0 GCADHM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)C1 ZINC000820649330 606027860 /nfs/dbraw/zinc/02/78/60/606027860.db2.gz KRKBYZIJWGKTTK-GJZGRUSLSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)C1 ZINC000820649330 606027866 /nfs/dbraw/zinc/02/78/66/606027866.db2.gz KRKBYZIJWGKTTK-GJZGRUSLSA-N -1 3 384.488 0.888 20 0 GCADHM CNC(=O)c1ccc(NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC000821635034 606035955 /nfs/dbraw/zinc/03/59/55/606035955.db2.gz ICTKYPUFEGQXKX-UHFFFAOYSA-N -1 3 380.416 0.492 20 0 GCADHM CNC(=O)c1ccc(NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nn1 ZINC000821635034 606035960 /nfs/dbraw/zinc/03/59/60/606035960.db2.gz ICTKYPUFEGQXKX-UHFFFAOYSA-N -1 3 380.416 0.492 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN(c3nccn3C)CC2)c(-c2nnn[n-]2)c1C ZINC000822540939 606066292 /nfs/dbraw/zinc/06/62/92/606066292.db2.gz HKYGWSBRZXMLTC-GFCCVEGCSA-N -1 3 399.459 0.959 20 0 GCADHM CN(Cc1nnc2ccccn21)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821618124 606076750 /nfs/dbraw/zinc/07/67/50/606076750.db2.gz RIDFGCJALYOZTM-CQSZACIVSA-N -1 3 380.412 0.781 20 0 GCADHM C[S@](=O)CCN1CCN(CCC(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000821941456 606082835 /nfs/dbraw/zinc/08/28/35/606082835.db2.gz GQTBJBBODBFDHF-MHZLTWQESA-N -1 3 391.501 0.191 20 0 GCADHM C[S@](=O)CCN1CCN(CCC(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000821941456 606082839 /nfs/dbraw/zinc/08/28/39/606082839.db2.gz GQTBJBBODBFDHF-MHZLTWQESA-N -1 3 391.501 0.191 20 0 GCADHM COC(=O)C[C@H]1CSCCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821660340 606083082 /nfs/dbraw/zinc/08/30/82/606083082.db2.gz NLAGSLIMLFUXCJ-AWEZNQCLSA-N -1 3 390.469 0.463 20 0 GCADHM COC(=O)C[C@H]1CSCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821660340 606083091 /nfs/dbraw/zinc/08/30/91/606083091.db2.gz NLAGSLIMLFUXCJ-AWEZNQCLSA-N -1 3 390.469 0.463 20 0 GCADHM Cc1nsc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000822531116 606094506 /nfs/dbraw/zinc/09/45/06/606094506.db2.gz UBDXOLMPOMDUCB-CYBMUJFWSA-N -1 3 385.457 0.375 20 0 GCADHM Cc1nsc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822531116 606094508 /nfs/dbraw/zinc/09/45/08/606094508.db2.gz UBDXOLMPOMDUCB-CYBMUJFWSA-N -1 3 385.457 0.375 20 0 GCADHM Cc1sc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000822559185 606107849 /nfs/dbraw/zinc/10/78/49/606107849.db2.gz XMYOUIOHIAHRTA-UHFFFAOYSA-N -1 3 399.502 0.061 20 0 GCADHM Cc1sc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)c(-c2nn[n-]n2)c1C ZINC000822559185 606107850 /nfs/dbraw/zinc/10/78/50/606107850.db2.gz XMYOUIOHIAHRTA-UHFFFAOYSA-N -1 3 399.502 0.061 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000819877364 606114895 /nfs/dbraw/zinc/11/48/95/606114895.db2.gz UQMYAHYRNCRIKK-GFCCVEGCSA-N -1 3 395.427 0.276 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000819877364 606114897 /nfs/dbraw/zinc/11/48/97/606114897.db2.gz UQMYAHYRNCRIKK-GFCCVEGCSA-N -1 3 395.427 0.276 20 0 GCADHM CNC(=O)CC1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000821631524 606118660 /nfs/dbraw/zinc/11/86/60/606118660.db2.gz KXLIAAAZZQHEGK-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CNC(=O)CC1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000821631524 606118662 /nfs/dbraw/zinc/11/86/62/606118662.db2.gz KXLIAAAZZQHEGK-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821614773 606119083 /nfs/dbraw/zinc/11/90/83/606119083.db2.gz URNBPCHSNHDVST-UHFFFAOYSA-N -1 3 393.407 0.580 20 0 GCADHM CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821614773 606119084 /nfs/dbraw/zinc/11/90/84/606119084.db2.gz URNBPCHSNHDVST-UHFFFAOYSA-N -1 3 393.407 0.580 20 0 GCADHM Cc1nc(C)n([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000822431765 606119472 /nfs/dbraw/zinc/11/94/72/606119472.db2.gz IOTUQEUNJIALFD-OAHLLOKOSA-N -1 3 395.427 0.877 20 0 GCADHM Cc1nc(C)n([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000822431765 606119475 /nfs/dbraw/zinc/11/94/75/606119475.db2.gz IOTUQEUNJIALFD-OAHLLOKOSA-N -1 3 395.427 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c1-c1nnn[n-]1 ZINC000822308665 606120817 /nfs/dbraw/zinc/12/08/17/606120817.db2.gz IFCCKXNBVVVUPN-ZDUSSCGKSA-N -1 3 394.439 0.938 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)c1-c1nn[n-]n1 ZINC000822308665 606120818 /nfs/dbraw/zinc/12/08/18/606120818.db2.gz IFCCKXNBVVVUPN-ZDUSSCGKSA-N -1 3 394.439 0.938 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000822216029 606120916 /nfs/dbraw/zinc/12/09/16/606120916.db2.gz CGABPFGZLZABHW-ZDUSSCGKSA-N -1 3 394.439 0.938 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000822216029 606120918 /nfs/dbraw/zinc/12/09/18/606120918.db2.gz CGABPFGZLZABHW-ZDUSSCGKSA-N -1 3 394.439 0.938 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000819789481 606121491 /nfs/dbraw/zinc/12/14/91/606121491.db2.gz PZIIIARCEQHOEI-SFHVURJKSA-N -1 3 384.444 0.169 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000819789481 606121493 /nfs/dbraw/zinc/12/14/93/606121493.db2.gz PZIIIARCEQHOEI-SFHVURJKSA-N -1 3 384.444 0.169 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000820291971 606121987 /nfs/dbraw/zinc/12/19/87/606121987.db2.gz BEPKRYMXFBBZRC-NSHDSACASA-N -1 3 396.448 0.335 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000820291971 606121988 /nfs/dbraw/zinc/12/19/88/606121988.db2.gz BEPKRYMXFBBZRC-NSHDSACASA-N -1 3 396.448 0.335 20 0 GCADHM CSc1ccncc1NC(=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000821989214 606128408 /nfs/dbraw/zinc/12/84/08/606128408.db2.gz ILGXXCPYIITZPY-UHFFFAOYSA-N -1 3 399.440 0.545 20 0 GCADHM CSc1ccncc1NC(=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000821989214 606128409 /nfs/dbraw/zinc/12/84/09/606128409.db2.gz ILGXXCPYIITZPY-UHFFFAOYSA-N -1 3 399.440 0.545 20 0 GCADHM C[C@@]1(c2ccco2)NC(=O)N(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820636046 606130575 /nfs/dbraw/zinc/13/05/75/606130575.db2.gz PDPMIDYHCUGPDU-SGTLLEGYSA-N -1 3 398.379 0.667 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820293851 606130909 /nfs/dbraw/zinc/13/09/09/606130909.db2.gz PVFQSENZSLMRSM-MFKMUULPSA-N -1 3 393.425 0.196 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820293851 606130910 /nfs/dbraw/zinc/13/09/10/606130910.db2.gz PVFQSENZSLMRSM-MFKMUULPSA-N -1 3 393.425 0.196 20 0 GCADHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000820254732 606134014 /nfs/dbraw/zinc/13/40/14/606134014.db2.gz VWYPJQYFSLYNRN-JTQLQIEISA-N -1 3 394.436 0.692 20 0 GCADHM C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000820254732 606134016 /nfs/dbraw/zinc/13/40/16/606134016.db2.gz VWYPJQYFSLYNRN-JTQLQIEISA-N -1 3 394.436 0.692 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000822161366 606135891 /nfs/dbraw/zinc/13/58/91/606135891.db2.gz ONHRHUCSLOBYCT-UHFFFAOYSA-N -1 3 391.395 0.894 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000822161366 606135893 /nfs/dbraw/zinc/13/58/93/606135893.db2.gz ONHRHUCSLOBYCT-UHFFFAOYSA-N -1 3 391.395 0.894 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822873721 606137988 /nfs/dbraw/zinc/13/79/88/606137988.db2.gz HAHMQIZEUXQHEE-HNNXBMFYSA-N -1 3 384.444 0.449 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822873721 606137990 /nfs/dbraw/zinc/13/79/90/606137990.db2.gz HAHMQIZEUXQHEE-HNNXBMFYSA-N -1 3 384.444 0.449 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820146407 606141767 /nfs/dbraw/zinc/14/17/67/606141767.db2.gz NUGIJOZCFVIDRS-UHFFFAOYSA-N -1 3 381.462 0.139 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820146407 606141769 /nfs/dbraw/zinc/14/17/69/606141769.db2.gz NUGIJOZCFVIDRS-UHFFFAOYSA-N -1 3 381.462 0.139 20 0 GCADHM NC(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000822864691 606146118 /nfs/dbraw/zinc/14/61/18/606146118.db2.gz IJOSILYPPINION-SECBINFHSA-N -1 3 384.849 0.796 20 0 GCADHM CNC(=O)c1ccc(C(=O)N(CCOC)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000821635293 606150039 /nfs/dbraw/zinc/15/00/39/606150039.db2.gz VLOFUQFTDDQOMH-UHFFFAOYSA-N -1 3 381.396 0.915 20 0 GCADHM CNC(=O)c1ccc(C(=O)N(CCOC)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821635293 606150041 /nfs/dbraw/zinc/15/00/41/606150041.db2.gz VLOFUQFTDDQOMH-UHFFFAOYSA-N -1 3 381.396 0.915 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000822218149 606152417 /nfs/dbraw/zinc/15/24/17/606152417.db2.gz YIPZRJROIVMZTG-YPMHNXCESA-N -1 3 393.473 0.967 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000822218149 606152419 /nfs/dbraw/zinc/15/24/19/606152419.db2.gz YIPZRJROIVMZTG-YPMHNXCESA-N -1 3 393.473 0.967 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822874210 606152696 /nfs/dbraw/zinc/15/26/96/606152696.db2.gz UTFSLYCVPOVQGL-HNNXBMFYSA-N -1 3 385.428 0.780 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822874210 606152697 /nfs/dbraw/zinc/15/26/97/606152697.db2.gz UTFSLYCVPOVQGL-HNNXBMFYSA-N -1 3 385.428 0.780 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821636320 606153499 /nfs/dbraw/zinc/15/34/99/606153499.db2.gz NRBVQTZXPNXTRA-SNVBAGLBSA-N -1 3 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606157783 /nfs/dbraw/zinc/15/77/83/606157783.db2.gz TUOOOKWEIOGUAT-HNNXBMFYSA-N -1 3 385.428 0.446 20 0 GCADHM O=C1[C@@H](N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCN1C1CCOCC1 ZINC000823504825 606159066 /nfs/dbraw/zinc/15/90/66/606159066.db2.gz VAOMJIIFDLBBRU-INIZCTEOSA-N -1 3 398.471 0.164 20 0 GCADHM O=C1[C@@H](N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCN1C1CCOCC1 ZINC000823504825 606159068 /nfs/dbraw/zinc/15/90/68/606159068.db2.gz VAOMJIIFDLBBRU-INIZCTEOSA-N -1 3 398.471 0.164 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(CCOc3ccccc3)CC2)n1 ZINC000822609608 606163013 /nfs/dbraw/zinc/16/30/13/606163013.db2.gz RWDFDMJFASEUMG-UHFFFAOYSA-N -1 3 397.443 0.829 20 0 GCADHM C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cnccn1 ZINC000820498224 606169117 /nfs/dbraw/zinc/16/91/17/606169117.db2.gz ZZNLBEJAXCQIAY-LLVKDONJSA-N -1 3 388.409 0.876 20 0 GCADHM C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cnccn1 ZINC000820498224 606169118 /nfs/dbraw/zinc/16/91/18/606169118.db2.gz ZZNLBEJAXCQIAY-LLVKDONJSA-N -1 3 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CCCN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)CC(=O)N(C)C ZINC000821099214 606185788 /nfs/dbraw/zinc/18/57/88/606185788.db2.gz BXNBKVIZSDISRW-UHFFFAOYSA-N -1 3 380.474 0.441 20 0 GCADHM COC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821665135 606186206 /nfs/dbraw/zinc/18/62/06/606186206.db2.gz XEFAGQSNAGXQCZ-UHFFFAOYSA-N -1 3 380.430 0.024 20 0 GCADHM COC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821665135 606186208 /nfs/dbraw/zinc/18/62/08/606186208.db2.gz XEFAGQSNAGXQCZ-UHFFFAOYSA-N -1 3 380.430 0.024 20 0 GCADHM CCC[C@@](C)(NCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000821007972 606187161 /nfs/dbraw/zinc/18/71/61/606187161.db2.gz FTTFLEXCFUQEDS-MRXNPFEDSA-N -1 3 381.458 0.962 20 0 GCADHM CCC[C@@](C)(NCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000821007972 606187163 /nfs/dbraw/zinc/18/71/63/606187163.db2.gz FTTFLEXCFUQEDS-MRXNPFEDSA-N -1 3 381.458 0.962 20 0 GCADHM Cc1nc2n(c1C)CCN(CCS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)C2 ZINC000822461831 606188301 /nfs/dbraw/zinc/18/83/01/606188301.db2.gz ANNKJPVGDRANQO-UHFFFAOYSA-N -1 3 387.469 0.970 20 0 GCADHM Cc1nc2n(c1C)CCN(CCS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822461831 606188303 /nfs/dbraw/zinc/18/83/03/606188303.db2.gz ANNKJPVGDRANQO-UHFFFAOYSA-N -1 3 387.469 0.970 20 0 GCADHM O=S(=O)(CCN1CCC[C@@H](n2cncn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562164 606188956 /nfs/dbraw/zinc/18/89/56/606188956.db2.gz OOQLWVFDYWCGJL-CQSZACIVSA-N -1 3 388.457 0.569 20 0 GCADHM O=S(=O)(CCN1CCC[C@@H](n2cncn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562164 606188957 /nfs/dbraw/zinc/18/89/57/606188957.db2.gz OOQLWVFDYWCGJL-CQSZACIVSA-N -1 3 388.457 0.569 20 0 GCADHM CC[C@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820933009 606189095 /nfs/dbraw/zinc/18/90/95/606189095.db2.gz SIWCLYWVZKLWTG-HNNXBMFYSA-N -1 3 394.501 0.029 20 0 GCADHM CC[C@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820933009 606189097 /nfs/dbraw/zinc/18/90/97/606189097.db2.gz SIWCLYWVZKLWTG-HNNXBMFYSA-N -1 3 394.501 0.029 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606197907 /nfs/dbraw/zinc/19/79/07/606197907.db2.gz GJRPBNCYPNLPKB-UHFFFAOYSA-N -1 3 384.366 0.666 20 0 GCADHM CC(C)(C(N)=O)N1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000819891764 606197908 /nfs/dbraw/zinc/19/79/08/606197908.db2.gz GJRPBNCYPNLPKB-UHFFFAOYSA-N -1 3 384.366 0.666 20 0 GCADHM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000821675758 606202427 /nfs/dbraw/zinc/20/24/27/606202427.db2.gz SQBSQQGHSKIGPB-VIFPVBQESA-N -1 3 379.402 0.778 20 0 GCADHM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000821675758 606202429 /nfs/dbraw/zinc/20/24/29/606202429.db2.gz SQBSQQGHSKIGPB-VIFPVBQESA-N -1 3 379.402 0.778 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821588152 606208843 /nfs/dbraw/zinc/20/88/43/606208843.db2.gz DRHOQTWRBZFMEQ-UHFFFAOYSA-N -1 3 375.414 0.708 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821588152 606208845 /nfs/dbraw/zinc/20/88/45/606208845.db2.gz DRHOQTWRBZFMEQ-UHFFFAOYSA-N -1 3 375.414 0.708 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000822636496 606214209 /nfs/dbraw/zinc/21/42/09/606214209.db2.gz GLEJXCPTLYPYRR-UHFFFAOYSA-N -1 3 386.416 0.190 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000822636496 606214211 /nfs/dbraw/zinc/21/42/11/606214211.db2.gz GLEJXCPTLYPYRR-UHFFFAOYSA-N -1 3 386.416 0.190 20 0 GCADHM O=C(CCNc1ccc(-c2nnn[n-]2)nc1)N1CCN(c2ccccn2)CC1 ZINC000822969398 606215749 /nfs/dbraw/zinc/21/57/49/606215749.db2.gz NMMDTDNFBCZFSB-UHFFFAOYSA-N -1 3 379.428 0.808 20 0 GCADHM O=C(CCNc1ccc(-c2nn[n-]n2)nc1)N1CCN(c2ccccn2)CC1 ZINC000822969398 606215750 /nfs/dbraw/zinc/21/57/50/606215750.db2.gz NMMDTDNFBCZFSB-UHFFFAOYSA-N -1 3 379.428 0.808 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822266581 606218394 /nfs/dbraw/zinc/21/83/94/606218394.db2.gz DKPCEUSFZPSVSO-UHFFFAOYSA-N -1 3 389.441 0.222 20 0 GCADHM Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822266581 606218396 /nfs/dbraw/zinc/21/83/96/606218396.db2.gz DKPCEUSFZPSVSO-UHFFFAOYSA-N -1 3 389.441 0.222 20 0 GCADHM Cc1nc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)sc1SCC(N)=O ZINC000822449590 606220520 /nfs/dbraw/zinc/22/05/20/606220520.db2.gz FYEFWKHSOKYILL-UHFFFAOYSA-N -1 3 378.443 0.800 20 0 GCADHM Cc1nc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)sc1SCC(N)=O ZINC000822449590 606220522 /nfs/dbraw/zinc/22/05/22/606220522.db2.gz FYEFWKHSOKYILL-UHFFFAOYSA-N -1 3 378.443 0.800 20 0 GCADHM CC(C)N1CCC[C@@H](OC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820131174 606226365 /nfs/dbraw/zinc/22/63/65/606226365.db2.gz AHGALOSDBUKMAZ-CQSZACIVSA-N -1 3 386.412 0.539 20 0 GCADHM CC(C)N1CCC[C@@H](OC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820131174 606226368 /nfs/dbraw/zinc/22/63/68/606226368.db2.gz AHGALOSDBUKMAZ-CQSZACIVSA-N -1 3 386.412 0.539 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC[C@@H]1COc2ccccc2O1 ZINC000823022201 606227946 /nfs/dbraw/zinc/22/79/46/606227946.db2.gz AGLZNIXTDOLDAG-LLVKDONJSA-N -1 3 384.352 0.308 20 0 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ZINC000821662722 606229994 /nfs/dbraw/zinc/22/99/94/606229994.db2.gz PPKMZTBLDISMJC-UHFFFAOYSA-N -1 3 397.395 0.289 20 0 GCADHM COC(=O)CNC(=O)Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821662722 606229995 /nfs/dbraw/zinc/22/99/95/606229995.db2.gz PPKMZTBLDISMJC-UHFFFAOYSA-N -1 3 397.395 0.289 20 0 GCADHM CC(C)[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000820028479 606230070 /nfs/dbraw/zinc/23/00/70/606230070.db2.gz ZUQJTYXMJCEZHE-MFKMUULPSA-N -1 3 389.416 0.100 20 0 GCADHM CC(C)[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000820028479 606230071 /nfs/dbraw/zinc/23/00/71/606230071.db2.gz ZUQJTYXMJCEZHE-MFKMUULPSA-N -1 3 389.416 0.100 20 0 GCADHM COC(=O)Nc1ccc(CNC(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821665200 606230111 /nfs/dbraw/zinc/23/01/11/606230111.db2.gz ZUOBXLUDNQKFOH-UHFFFAOYSA-N -1 3 399.367 0.846 20 0 GCADHM COC(=O)Nc1ccc(CNC(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821665200 606230113 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Cn1cc([C@@H]2CN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822673899 606239809 /nfs/dbraw/zinc/23/98/09/606239809.db2.gz FWPGZUKVZAELHH-HNNXBMFYSA-N -1 3 389.441 0.504 20 0 GCADHM Cn1cc([C@@H]2CN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822673899 606239810 /nfs/dbraw/zinc/23/98/10/606239810.db2.gz FWPGZUKVZAELHH-HNNXBMFYSA-N -1 3 389.441 0.504 20 0 GCADHM CN1CCN([C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c2cccs2)CC1 ZINC000821627191 606246430 /nfs/dbraw/zinc/24/64/30/606246430.db2.gz QTRCEJCHDWLNIO-AWEZNQCLSA-N -1 3 386.485 0.975 20 0 GCADHM CN1CCN([C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c2cccs2)CC1 ZINC000821627191 606246431 /nfs/dbraw/zinc/24/64/31/606246431.db2.gz QTRCEJCHDWLNIO-AWEZNQCLSA-N -1 3 386.485 0.975 20 0 GCADHM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823249810 606251510 /nfs/dbraw/zinc/25/15/10/606251510.db2.gz KOFCZBSNVBAROO-UHFFFAOYSA-N -1 3 381.396 0.597 20 0 GCADHM O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823249810 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378.433 0.883 20 0 GCADHM CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821377847 606254286 /nfs/dbraw/zinc/25/42/86/606254286.db2.gz GDWBFJMZCKNWDV-LBPRGKRZSA-N -1 3 378.433 0.883 20 0 GCADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821440713 606254745 /nfs/dbraw/zinc/25/47/45/606254745.db2.gz ARECHVTVMQJOHR-UHFFFAOYSA-N -1 3 395.850 0.168 20 0 GCADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821440713 606254746 /nfs/dbraw/zinc/25/47/46/606254746.db2.gz ARECHVTVMQJOHR-UHFFFAOYSA-N -1 3 395.850 0.168 20 0 GCADHM CCc1cc(N2CCC(NC(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)ncn1 ZINC000821469562 606260376 /nfs/dbraw/zinc/26/03/76/606260376.db2.gz FOHFPHBULAKAMU-UHFFFAOYSA-N -1 3 381.444 0.956 20 0 GCADHM CCc1cc(N2CCC(NC(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)ncn1 ZINC000821469562 606260378 /nfs/dbraw/zinc/26/03/78/606260378.db2.gz FOHFPHBULAKAMU-UHFFFAOYSA-N -1 3 381.444 0.956 20 0 GCADHM NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822865250 606260753 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PZIWQXSWMHYKPF-UHFFFAOYSA-N -1 3 383.387 0.861 20 0 GCADHM O=C(Cc1ccccc1F)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000823115507 606263878 /nfs/dbraw/zinc/26/38/78/606263878.db2.gz PZIWQXSWMHYKPF-UHFFFAOYSA-N -1 3 383.387 0.861 20 0 GCADHM O=C(CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1ccc(-n2cncn2)cc1 ZINC000823001596 606267097 /nfs/dbraw/zinc/26/70/97/606267097.db2.gz NNRWMZFQZSRGIR-UHFFFAOYSA-N -1 3 378.356 0.144 20 0 GCADHM O=C(CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1ccc(-n2cncn2)cc1 ZINC000823001596 606267098 /nfs/dbraw/zinc/26/70/98/606267098.db2.gz NNRWMZFQZSRGIR-UHFFFAOYSA-N -1 3 378.356 0.144 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000820384623 606267483 /nfs/dbraw/zinc/26/74/83/606267483.db2.gz JHJDGPHCZNNUKE-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000820384623 606267484 /nfs/dbraw/zinc/26/74/84/606267484.db2.gz JHJDGPHCZNNUKE-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821637688 606267958 /nfs/dbraw/zinc/26/79/58/606267958.db2.gz PMUJONFNPQUDSR-SECBINFHSA-N -1 3 375.414 0.594 20 0 GCADHM CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821637688 606267959 /nfs/dbraw/zinc/26/79/59/606267959.db2.gz PMUJONFNPQUDSR-SECBINFHSA-N -1 3 375.414 0.594 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000819857239 606269081 /nfs/dbraw/zinc/26/90/81/606269081.db2.gz PUFHGOQNFUZMGK-GFCCVEGCSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000819857239 606269084 /nfs/dbraw/zinc/26/90/84/606269084.db2.gz PUFHGOQNFUZMGK-GFCCVEGCSA-N -1 3 386.460 0.400 20 0 GCADHM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc(-c3nnn[n-]3)cn2C)C1 ZINC000821691038 606283333 /nfs/dbraw/zinc/28/33/33/606283333.db2.gz GEKBJJYNSNQVJG-RYUDHWBXSA-N -1 3 375.433 0.209 20 0 GCADHM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC000821691038 606283335 /nfs/dbraw/zinc/28/33/35/606283335.db2.gz GEKBJJYNSNQVJG-RYUDHWBXSA-N -1 3 375.433 0.209 20 0 GCADHM C[S@@](=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821941157 606286206 /nfs/dbraw/zinc/28/62/06/606286206.db2.gz DLPVSYPYHUJCOB-HHHXNRCGSA-N -1 3 384.421 0.973 20 0 GCADHM C[S@@](=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821941157 606286207 /nfs/dbraw/zinc/28/62/07/606286207.db2.gz DLPVSYPYHUJCOB-HHHXNRCGSA-N -1 3 384.421 0.973 20 0 GCADHM CCOc1cc(C)nc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)n1 ZINC000821395338 606286912 /nfs/dbraw/zinc/28/69/12/606286912.db2.gz WDGNMVPCGWWWJN-UHFFFAOYSA-N -1 3 397.443 0.665 20 0 GCADHM CCOc1cc(C)nc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)n1 ZINC000821395338 606286913 /nfs/dbraw/zinc/28/69/13/606286913.db2.gz WDGNMVPCGWWWJN-UHFFFAOYSA-N -1 3 397.443 0.665 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000822636513 606289540 /nfs/dbraw/zinc/28/95/40/606289540.db2.gz GSVHAXLADIQAEQ-GFCCVEGCSA-N -1 3 380.412 0.313 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000822636513 606289543 /nfs/dbraw/zinc/28/95/43/606289543.db2.gz GSVHAXLADIQAEQ-GFCCVEGCSA-N -1 3 380.412 0.313 20 0 GCADHM CC(C)COC[C@@H](O)CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000820102622 606291517 /nfs/dbraw/zinc/29/15/17/606291517.db2.gz DXRPNKKPVWZNBL-DLBZAZTESA-N -1 3 388.472 0.985 20 0 GCADHM Cc1nc2n(n1)CCN(C(=O)[C@H]1CCCN1c1ccc(-c3nn[n-]n3)cc1)C2 ZINC000822462304 606299125 /nfs/dbraw/zinc/29/91/25/606299125.db2.gz GEBLIUONPJKFOC-OAHLLOKOSA-N -1 3 379.428 0.778 20 0 GCADHM COC(=O)[C@@H](N[C@H](C)C(=O)NCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000821640548 606302926 /nfs/dbraw/zinc/30/29/26/606302926.db2.gz KSACYMLJJVNBRM-ABAIWWIYSA-N -1 3 384.396 0.968 20 0 GCADHM COC(=O)[C@@H](N[C@H](C)C(=O)NCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000821640548 606302928 /nfs/dbraw/zinc/30/29/28/606302928.db2.gz KSACYMLJJVNBRM-ABAIWWIYSA-N -1 3 384.396 0.968 20 0 GCADHM CCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821510012 606306091 /nfs/dbraw/zinc/30/60/91/606306091.db2.gz SJMUMNQUENBKBC-BBRMVZONSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nc2n(n1)C[C@@H](N[C@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821510012 606306092 /nfs/dbraw/zinc/30/60/92/606306092.db2.gz SJMUMNQUENBKBC-BBRMVZONSA-N -1 3 382.428 0.839 20 0 GCADHM COC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821642617 606306194 /nfs/dbraw/zinc/30/61/94/606306194.db2.gz MIDIIGMOSKPWCD-NEPJUHHUSA-N -1 3 398.345 0.834 20 0 GCADHM COC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821642617 606306196 /nfs/dbraw/zinc/30/61/96/606306196.db2.gz MIDIIGMOSKPWCD-NEPJUHHUSA-N -1 3 398.345 0.834 20 0 GCADHM CCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821510013 606306520 /nfs/dbraw/zinc/30/65/20/606306520.db2.gz SJMUMNQUENBKBC-CJNGLKHVSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nc2n(n1)C[C@H](N[C@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821510013 606306522 /nfs/dbraw/zinc/30/65/22/606306522.db2.gz SJMUMNQUENBKBC-CJNGLKHVSA-N -1 3 382.428 0.839 20 0 GCADHM CCC[C@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821041052 606307422 /nfs/dbraw/zinc/30/74/22/606307422.db2.gz YJIDNFVFHQTTPZ-GFCCVEGCSA-N -1 3 378.414 0.361 20 0 GCADHM CCC[C@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821041052 606307424 /nfs/dbraw/zinc/30/74/24/606307424.db2.gz YJIDNFVFHQTTPZ-GFCCVEGCSA-N -1 3 378.414 0.361 20 0 GCADHM CCOC(=O)N1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821333898 606313743 /nfs/dbraw/zinc/31/37/43/606313743.db2.gz DCNFKQMSNQANLX-LBPRGKRZSA-N -1 3 391.457 0.808 20 0 GCADHM CCOC(=O)N1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821333898 606313745 /nfs/dbraw/zinc/31/37/45/606313745.db2.gz DCNFKQMSNQANLX-LBPRGKRZSA-N -1 3 391.457 0.808 20 0 GCADHM CCOC(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821333897 606313927 /nfs/dbraw/zinc/31/39/27/606313927.db2.gz DCNFKQMSNQANLX-GFCCVEGCSA-N -1 3 391.457 0.808 20 0 GCADHM CCOC(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821333897 606313929 /nfs/dbraw/zinc/31/39/29/606313929.db2.gz DCNFKQMSNQANLX-GFCCVEGCSA-N -1 3 391.457 0.808 20 0 GCADHM CN(C)C(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821577990 606315249 /nfs/dbraw/zinc/31/52/49/606315249.db2.gz ILPOLQXYAVTTER-GFCCVEGCSA-N -1 3 390.473 0.333 20 0 GCADHM CN(C)C(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821577990 606315251 /nfs/dbraw/zinc/31/52/51/606315251.db2.gz ILPOLQXYAVTTER-GFCCVEGCSA-N -1 3 390.473 0.333 20 0 GCADHM CNC(=O)C1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821631431 606315632 /nfs/dbraw/zinc/31/56/32/606315632.db2.gz IZBOILRBNOFGJQ-GFCCVEGCSA-N -1 3 375.458 0.492 20 0 GCADHM CNC(=O)C1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821631431 606315634 /nfs/dbraw/zinc/31/56/34/606315634.db2.gz IZBOILRBNOFGJQ-GFCCVEGCSA-N -1 3 375.458 0.492 20 0 GCADHM COC(=O)N1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821664728 606316034 /nfs/dbraw/zinc/31/60/34/606316034.db2.gz GSJILHNVACDDKD-NSHDSACASA-N -1 3 377.430 0.418 20 0 GCADHM COC(=O)N1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821664728 606316036 /nfs/dbraw/zinc/31/60/36/606316036.db2.gz GSJILHNVACDDKD-NSHDSACASA-N -1 3 377.430 0.418 20 0 GCADHM CC(=O)NC[C@H]1CCCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000819804131 606317135 /nfs/dbraw/zinc/31/71/35/606317135.db2.gz UVJOBHUMNNNXHP-TZMCWYRMSA-N -1 3 389.485 0.882 20 0 GCADHM CC(=O)NC[C@H]1CCCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000819804131 606317136 /nfs/dbraw/zinc/31/71/36/606317136.db2.gz UVJOBHUMNNNXHP-TZMCWYRMSA-N -1 3 389.485 0.882 20 0 GCADHM CC(=O)NC[C@H]1CCCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000819804129 606317197 /nfs/dbraw/zinc/31/71/97/606317197.db2.gz UVJOBHUMNNNXHP-OCCSQVGLSA-N -1 3 389.485 0.882 20 0 GCADHM CC(=O)NC[C@H]1CCCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000819804129 606317198 /nfs/dbraw/zinc/31/71/98/606317198.db2.gz UVJOBHUMNNNXHP-OCCSQVGLSA-N -1 3 389.485 0.882 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](c2noc(C)n2)C1 ZINC000821651750 606317438 /nfs/dbraw/zinc/31/74/38/606317438.db2.gz FVTJALSMOIGCBM-ZIAGYGMSSA-N -1 3 385.384 0.846 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](c2noc(C)n2)C1 ZINC000821651750 606317440 /nfs/dbraw/zinc/31/74/40/606317440.db2.gz FVTJALSMOIGCBM-ZIAGYGMSSA-N -1 3 385.384 0.846 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000823460587 606317596 /nfs/dbraw/zinc/31/75/96/606317596.db2.gz QXTWWWULOKXBOO-NEPJUHHUSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000823460587 606317598 /nfs/dbraw/zinc/31/75/98/606317598.db2.gz QXTWWWULOKXBOO-NEPJUHHUSA-N -1 3 380.430 0.003 20 0 GCADHM O=C1[C@@H](N2CCC[C@@H](n3cncn3)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503145 606321665 /nfs/dbraw/zinc/32/16/65/606321665.db2.gz CBZNPCRBYHYPQW-YPMHNXCESA-N -1 3 385.457 0.962 20 0 GCADHM O=C1[C@@H](N2CCC[C@@H](n3cncn3)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503145 606321667 /nfs/dbraw/zinc/32/16/67/606321667.db2.gz CBZNPCRBYHYPQW-YPMHNXCESA-N -1 3 385.457 0.962 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(Cc2cnn(C)c2)CC1 ZINC000821652617 606321680 /nfs/dbraw/zinc/32/16/80/606321680.db2.gz WUUOUFUKERYHDL-KRWDZBQOSA-N -1 3 396.455 0.632 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(Cc2cnn(C)c2)CC1 ZINC000821652617 606321682 /nfs/dbraw/zinc/32/16/82/606321682.db2.gz WUUOUFUKERYHDL-KRWDZBQOSA-N -1 3 396.455 0.632 20 0 GCADHM CN(CCN1CCOCC1)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821602806 606322502 /nfs/dbraw/zinc/32/25/02/606322502.db2.gz VWBPGTYMQGJPBF-ZDUSSCGKSA-N -1 3 377.474 0.298 20 0 GCADHM CN(CCN1CCOCC1)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821602806 606322504 /nfs/dbraw/zinc/32/25/04/606322504.db2.gz VWBPGTYMQGJPBF-ZDUSSCGKSA-N -1 3 377.474 0.298 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000821649819 606330771 /nfs/dbraw/zinc/33/07/71/606330771.db2.gz DQSYMLUBMMYSRC-SMDDNHRTSA-N -1 3 379.442 0.447 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000821649819 606330773 /nfs/dbraw/zinc/33/07/73/606330773.db2.gz DQSYMLUBMMYSRC-SMDDNHRTSA-N -1 3 379.442 0.447 20 0 GCADHM O=C1[C@H](N2CCN(CCCCO)CC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823504929 606331422 /nfs/dbraw/zinc/33/14/22/606331422.db2.gz VQTPLWPTCIYCJH-CQSZACIVSA-N -1 3 391.501 0.424 20 0 GCADHM CNC(=O)CC1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821631923 606332232 /nfs/dbraw/zinc/33/22/32/606332232.db2.gz XUQDIADFDUZJTA-CYBMUJFWSA-N -1 3 389.485 0.882 20 0 GCADHM CNC(=O)CC1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821631923 606332234 /nfs/dbraw/zinc/33/22/34/606332234.db2.gz XUQDIADFDUZJTA-CYBMUJFWSA-N -1 3 389.485 0.882 20 0 GCADHM CNC(=O)CC1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000821631924 606332596 /nfs/dbraw/zinc/33/25/96/606332596.db2.gz XUQDIADFDUZJTA-ZDUSSCGKSA-N -1 3 389.485 0.882 20 0 GCADHM CNC(=O)CC1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000821631924 606332597 /nfs/dbraw/zinc/33/25/97/606332597.db2.gz XUQDIADFDUZJTA-ZDUSSCGKSA-N -1 3 389.485 0.882 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(c2cnn(C)c2)CC1 ZINC000821652181 606333015 /nfs/dbraw/zinc/33/30/15/606333015.db2.gz NGGABZRPVFVKNQ-INIZCTEOSA-N -1 3 382.428 0.637 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(c2cnn(C)c2)CC1 ZINC000821652181 606333016 /nfs/dbraw/zinc/33/30/16/606333016.db2.gz NGGABZRPVFVKNQ-INIZCTEOSA-N -1 3 382.428 0.637 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCN1C1CC1 ZINC000823535681 606335077 /nfs/dbraw/zinc/33/50/77/606335077.db2.gz DTIVIUXTDUIFJV-UHFFFAOYSA-N -1 3 382.833 0.515 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823594607 606335138 /nfs/dbraw/zinc/33/51/38/606335138.db2.gz MZTGJLSXOGPYKT-CQSZACIVSA-N -1 3 379.442 0.825 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823594607 606335140 /nfs/dbraw/zinc/33/51/40/606335140.db2.gz MZTGJLSXOGPYKT-CQSZACIVSA-N -1 3 379.442 0.825 20 0 GCADHM CN1CCC[C@@H](NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1=O ZINC000821623089 606336536 /nfs/dbraw/zinc/33/65/36/606336536.db2.gz CDBXVEBTOZSTFX-CQSZACIVSA-N -1 3 384.444 0.319 20 0 GCADHM CN1CCC[C@@H](NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1=O ZINC000821623089 606336538 /nfs/dbraw/zinc/33/65/38/606336538.db2.gz CDBXVEBTOZSTFX-CQSZACIVSA-N -1 3 384.444 0.319 20 0 GCADHM CCOC(=O)C1CCN(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000288122796 606336801 /nfs/dbraw/zinc/33/68/01/606336801.db2.gz AEHWVNKROIKLAP-UHFFFAOYSA-N -1 3 380.430 0.799 20 0 GCADHM NS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822898854 606336817 /nfs/dbraw/zinc/33/68/17/606336817.db2.gz ASLSCALQQGVEJM-UHFFFAOYSA-N -1 3 381.395 0.282 20 0 GCADHM NS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822898854 606336818 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606395071 /nfs/dbraw/zinc/39/50/71/606395071.db2.gz QDNZKJXDTIVTJZ-LBPRGKRZSA-N -1 3 396.386 0.716 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000822472341 606395074 /nfs/dbraw/zinc/39/50/74/606395074.db2.gz QDNZKJXDTIVTJZ-LBPRGKRZSA-N -1 3 396.386 0.716 20 0 GCADHM CNC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821636114 606395202 /nfs/dbraw/zinc/39/52/02/606395202.db2.gz GEWUNIXGYCKOIP-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM CNC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821636114 606395204 /nfs/dbraw/zinc/39/52/04/606395204.db2.gz GEWUNIXGYCKOIP-UHFFFAOYSA-N -1 3 397.370 0.620 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1O ZINC000821798762 606395404 /nfs/dbraw/zinc/39/54/04/606395404.db2.gz MRBHNDONLUKDDQ-UHFFFAOYSA-N -1 3 386.343 0.975 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1O ZINC000821798762 606395405 /nfs/dbraw/zinc/39/54/05/606395405.db2.gz MRBHNDONLUKDDQ-UHFFFAOYSA-N -1 3 386.343 0.975 20 0 GCADHM COCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(-c2nnn[n-]2)s1 ZINC000821691076 606395524 /nfs/dbraw/zinc/39/55/24/606395524.db2.gz HRLOLSCQSHVZGX-NSHDSACASA-N -1 3 380.455 0.911 20 0 GCADHM O=C(NCCCOC[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823191863 606395886 /nfs/dbraw/zinc/39/58/86/606395886.db2.gz QTTNJKACZOWIMQ-GFCCVEGCSA-N -1 3 392.391 0.646 20 0 GCADHM O=C(NCCCOC[C@H]1CCCO1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823191863 606395888 /nfs/dbraw/zinc/39/58/88/606395888.db2.gz QTTNJKACZOWIMQ-GFCCVEGCSA-N -1 3 392.391 0.646 20 0 GCADHM C[C@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820488106 606397296 /nfs/dbraw/zinc/39/72/96/606397296.db2.gz LEFLPMFHAUWEQZ-JTQLQIEISA-N -1 3 380.430 0.386 20 0 GCADHM C[C@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820488106 606397299 /nfs/dbraw/zinc/39/72/99/606397299.db2.gz LEFLPMFHAUWEQZ-JTQLQIEISA-N -1 3 380.430 0.386 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820876259 606397898 /nfs/dbraw/zinc/39/78/98/606397898.db2.gz PDFBWVFRDFXSOK-BDAKNGLRSA-N -1 3 377.380 0.364 20 0 GCADHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820876259 606397899 /nfs/dbraw/zinc/39/78/99/606397899.db2.gz PDFBWVFRDFXSOK-BDAKNGLRSA-N -1 3 377.380 0.364 20 0 GCADHM CC(=O)CSCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000819783007 606398606 /nfs/dbraw/zinc/39/86/06/606398606.db2.gz SRPFHSYVQUKQRI-UHFFFAOYSA-N -1 3 378.433 0.977 20 0 GCADHM CC(=O)CSCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000819783007 606398607 /nfs/dbraw/zinc/39/86/07/606398607.db2.gz SRPFHSYVQUKQRI-UHFFFAOYSA-N -1 3 378.433 0.977 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C2 ZINC000820211818 606398918 /nfs/dbraw/zinc/39/89/18/606398918.db2.gz YHPJWOKKGVLKJC-UHFFFAOYSA-N -1 3 399.390 0.702 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C2 ZINC000820211818 606398919 /nfs/dbraw/zinc/39/89/19/606398919.db2.gz YHPJWOKKGVLKJC-UHFFFAOYSA-N -1 3 399.390 0.702 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCN(CC(F)F)CC1 ZINC000823338017 606399009 /nfs/dbraw/zinc/39/90/09/606399009.db2.gz WFRJVHUHJCTMNN-UHFFFAOYSA-N -1 3 383.334 0.354 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCN(CC(F)F)CC1 ZINC000823338017 606399010 /nfs/dbraw/zinc/39/90/10/606399010.db2.gz WFRJVHUHJCTMNN-UHFFFAOYSA-N -1 3 383.334 0.354 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000823337995 606400745 /nfs/dbraw/zinc/40/07/45/606400745.db2.gz VQJNGXHAHZPCSN-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000823337995 606400746 /nfs/dbraw/zinc/40/07/46/606400746.db2.gz VQJNGXHAHZPCSN-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM COC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)o1 ZINC000821668957 606401230 /nfs/dbraw/zinc/40/12/30/606401230.db2.gz RUCSAXGTJJITNZ-UHFFFAOYSA-N -1 3 388.315 0.640 20 0 GCADHM COC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)o1 ZINC000821668957 606401231 /nfs/dbraw/zinc/40/12/31/606401231.db2.gz RUCSAXGTJJITNZ-UHFFFAOYSA-N -1 3 388.315 0.640 20 0 GCADHM CO[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)F ZINC000821675590 606401372 /nfs/dbraw/zinc/40/13/72/606401372.db2.gz OXIWBCMKPBDONN-VIFPVBQESA-N -1 3 376.270 0.638 20 0 GCADHM CO[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000821675590 606401374 /nfs/dbraw/zinc/40/13/74/606401374.db2.gz OXIWBCMKPBDONN-VIFPVBQESA-N -1 3 376.270 0.638 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCC[C@H]1Cn1cncn1 ZINC000823336908 606402223 /nfs/dbraw/zinc/40/22/23/606402223.db2.gz CHQZPPRSSCIYOY-NSHDSACASA-N -1 3 385.363 0.227 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCC[C@H]1Cn1cncn1 ZINC000823336908 606402225 /nfs/dbraw/zinc/40/22/25/606402225.db2.gz CHQZPPRSSCIYOY-NSHDSACASA-N -1 3 385.363 0.227 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000823338008 606406822 /nfs/dbraw/zinc/40/68/22/606406822.db2.gz VVZVIVJUQYZZFW-ZDUSSCGKSA-N -1 3 388.281 0.470 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000823338008 606406824 /nfs/dbraw/zinc/40/68/24/606406824.db2.gz VVZVIVJUQYZZFW-ZDUSSCGKSA-N -1 3 388.281 0.470 20 0 GCADHM COC(=O)CN(CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O)C1CC1 ZINC000821662898 606418295 /nfs/dbraw/zinc/41/82/95/606418295.db2.gz YMWDIEUIWCESEI-UHFFFAOYSA-N -1 3 399.411 0.226 20 0 GCADHM COC(=O)CN(CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O)C1CC1 ZINC000821662898 606418297 /nfs/dbraw/zinc/41/82/97/606418297.db2.gz YMWDIEUIWCESEI-UHFFFAOYSA-N -1 3 399.411 0.226 20 0 GCADHM COC(=O)C[C@@H]1CN(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000821660665 606418318 /nfs/dbraw/zinc/41/83/18/606418318.db2.gz ZEGSQQRXSSPQGP-OAHLLOKOSA-N -1 3 398.427 0.655 20 0 GCADHM COC(=O)C[C@@H]1CN(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000821660665 606418319 /nfs/dbraw/zinc/41/83/19/606418319.db2.gz ZEGSQQRXSSPQGP-OAHLLOKOSA-N -1 3 398.427 0.655 20 0 GCADHM COC(=O)C[C@@H]1CN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)CCO1 ZINC000821660581 606418596 /nfs/dbraw/zinc/41/85/96/606418596.db2.gz WQEAQLWZZMPYIS-OAHLLOKOSA-N -1 3 383.412 0.952 20 0 GCADHM COC(=O)C[C@@H]1CN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)CCO1 ZINC000821660581 606418597 /nfs/dbraw/zinc/41/85/97/606418597.db2.gz WQEAQLWZZMPYIS-OAHLLOKOSA-N -1 3 383.412 0.952 20 0 GCADHM COC(=O)CN(CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O)C1CC1 ZINC000821662410 606418739 /nfs/dbraw/zinc/41/87/39/606418739.db2.gz BADZEQAMVXCXBT-GOSISDBHSA-N -1 3 399.411 0.229 20 0 GCADHM COC(=O)CN(CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O)C1CC1 ZINC000821662410 606418741 /nfs/dbraw/zinc/41/87/41/606418741.db2.gz BADZEQAMVXCXBT-GOSISDBHSA-N -1 3 399.411 0.229 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CSC[C@H](O)CO ZINC000821688579 606429353 /nfs/dbraw/zinc/42/93/53/606429353.db2.gz QLOKTRLZUJWYDP-GFCCVEGCSA-N -1 3 398.489 0.346 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CSC[C@H](O)CO ZINC000821688579 606429355 /nfs/dbraw/zinc/42/93/55/606429355.db2.gz QLOKTRLZUJWYDP-GFCCVEGCSA-N -1 3 398.489 0.346 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CSC[C@@H](O)CO ZINC000821688580 606429504 /nfs/dbraw/zinc/42/95/04/606429504.db2.gz QLOKTRLZUJWYDP-LBPRGKRZSA-N -1 3 398.489 0.346 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CSC[C@@H](O)CO ZINC000821688580 606429506 /nfs/dbraw/zinc/42/95/06/606429506.db2.gz QLOKTRLZUJWYDP-LBPRGKRZSA-N -1 3 398.489 0.346 20 0 GCADHM CCN1C(=O)[C@@H]2CN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)CCN2C1=O ZINC000821242550 606430731 /nfs/dbraw/zinc/43/07/31/606430731.db2.gz VFDMBCAVJKPQEJ-VIFPVBQESA-N -1 3 396.333 0.753 20 0 GCADHM CCN1C(=O)[C@@H]2CN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)CCN2C1=O ZINC000821242550 606430732 /nfs/dbraw/zinc/43/07/32/606430732.db2.gz VFDMBCAVJKPQEJ-VIFPVBQESA-N -1 3 396.333 0.753 20 0 GCADHM O=C1CC2(CN1)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000823525518 606433098 /nfs/dbraw/zinc/43/30/98/606433098.db2.gz PTXSFPWGYPRDCQ-UHFFFAOYSA-N -1 3 396.860 0.811 20 0 GCADHM O=C1CC2(CN1)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000823525518 606433099 /nfs/dbraw/zinc/43/30/99/606433099.db2.gz PTXSFPWGYPRDCQ-UHFFFAOYSA-N -1 3 396.860 0.811 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2)NC(=O)NC1=O ZINC000820607743 606435163 /nfs/dbraw/zinc/43/51/63/606435163.db2.gz YTIDJHUXIWZYGT-PIGZYNQJSA-N -1 3 384.400 0.709 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2)NC(=O)NC1=O ZINC000820607743 606435165 /nfs/dbraw/zinc/43/51/65/606435165.db2.gz YTIDJHUXIWZYGT-PIGZYNQJSA-N -1 3 384.400 0.709 20 0 GCADHM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000821635245 606435317 /nfs/dbraw/zinc/43/53/17/606435317.db2.gz SMHKMIDUEKKIAS-ZCFIWIBFSA-N -1 3 378.336 0.298 20 0 GCADHM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821635245 606435319 /nfs/dbraw/zinc/43/53/19/606435319.db2.gz SMHKMIDUEKKIAS-ZCFIWIBFSA-N -1 3 378.336 0.298 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000822223533 606435679 /nfs/dbraw/zinc/43/56/79/606435679.db2.gz AEPPXUBWEXIOBM-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000822223533 606435680 /nfs/dbraw/zinc/43/56/80/606435680.db2.gz AEPPXUBWEXIOBM-UHFFFAOYSA-N -1 3 385.471 0.278 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000822858376 606435953 /nfs/dbraw/zinc/43/59/53/606435953.db2.gz ANAOAJUVEKDKFV-TZMCWYRMSA-N -1 3 395.427 0.409 20 0 GCADHM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000822858376 606435955 /nfs/dbraw/zinc/43/59/55/606435955.db2.gz ANAOAJUVEKDKFV-TZMCWYRMSA-N -1 3 395.427 0.409 20 0 GCADHM O=C(NCCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C1CCC1 ZINC000823191762 606435977 /nfs/dbraw/zinc/43/59/77/606435977.db2.gz ODUJNTAQLVAQQV-UHFFFAOYSA-N -1 3 382.421 0.591 20 0 GCADHM O=C(NCCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C1CCC1 ZINC000823191762 606435979 /nfs/dbraw/zinc/43/59/79/606435979.db2.gz ODUJNTAQLVAQQV-UHFFFAOYSA-N -1 3 382.421 0.591 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C(=O)N(C)C ZINC000821995056 606436179 /nfs/dbraw/zinc/43/61/79/606436179.db2.gz YFZQTLDCUNDGIA-SSDOTTSWSA-N -1 3 392.363 0.641 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C(=O)N(C)C ZINC000821995056 606436181 /nfs/dbraw/zinc/43/61/81/606436181.db2.gz YFZQTLDCUNDGIA-SSDOTTSWSA-N -1 3 392.363 0.641 20 0 GCADHM CN(CCN1CCCS1(=O)=O)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821601394 606440818 /nfs/dbraw/zinc/44/08/18/606440818.db2.gz FGHUSQJZZWFTPU-UHFFFAOYSA-N -1 3 379.446 0.044 20 0 GCADHM CN(CCN1CCCS1(=O)=O)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821601394 606440819 /nfs/dbraw/zinc/44/08/19/606440819.db2.gz FGHUSQJZZWFTPU-UHFFFAOYSA-N -1 3 379.446 0.044 20 0 GCADHM Cc1cc(C)c(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)c(=O)[nH]1 ZINC000822193927 606443971 /nfs/dbraw/zinc/44/39/71/606443971.db2.gz ANLMNTIOWGTMTC-UHFFFAOYSA-N -1 3 375.414 0.844 20 0 GCADHM Cc1cc(C)c(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)c(=O)[nH]1 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/nfs/dbraw/zinc/60/71/95/606607195.db2.gz JDIZEKFUCQCJEK-UHFFFAOYSA-N -1 3 382.384 0.903 20 0 GCADHM Cc1noc(C2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000822527897 606607197 /nfs/dbraw/zinc/60/71/97/606607197.db2.gz JDIZEKFUCQCJEK-UHFFFAOYSA-N -1 3 382.384 0.903 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000823332457 606607536 /nfs/dbraw/zinc/60/75/36/606607536.db2.gz NJCSOBNSHZACNG-HUUCEWRRSA-N -1 3 382.355 0.719 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000823332457 606607538 /nfs/dbraw/zinc/60/75/38/606607538.db2.gz NJCSOBNSHZACNG-HUUCEWRRSA-N -1 3 382.355 0.719 20 0 GCADHM C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000820633439 606607797 /nfs/dbraw/zinc/60/77/97/606607797.db2.gz BJVKENWYLMRBPT-QGZVFWFLSA-N -1 3 381.352 0.865 20 0 GCADHM C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000820633439 606607799 /nfs/dbraw/zinc/60/77/99/606607799.db2.gz BJVKENWYLMRBPT-QGZVFWFLSA-N -1 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CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)c1nc(C)no1 ZINC000821401569 606608117 /nfs/dbraw/zinc/60/81/17/606608117.db2.gz XAICABMZYAWYOK-QMMMGPOBSA-N -1 3 386.372 0.773 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)c1nc(C)no1 ZINC000821401569 606608120 /nfs/dbraw/zinc/60/81/20/606608120.db2.gz XAICABMZYAWYOK-QMMMGPOBSA-N -1 3 386.372 0.773 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N1CC[C@H](CO)C1 ZINC000823302942 606608366 /nfs/dbraw/zinc/60/83/66/606608366.db2.gz BBPPNFQNUNYFIF-QMMMGPOBSA-N -1 3 384.318 0.665 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N1CC[C@H](CO)C1 ZINC000823302942 606608368 /nfs/dbraw/zinc/60/83/68/606608368.db2.gz BBPPNFQNUNYFIF-QMMMGPOBSA-N -1 3 384.318 0.665 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000823308830 606608570 /nfs/dbraw/zinc/60/85/70/606608570.db2.gz KKKBODSZQBUNPM-LBPRGKRZSA-N -1 3 385.409 0.862 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000823308830 606608571 /nfs/dbraw/zinc/60/85/71/606608571.db2.gz KKKBODSZQBUNPM-LBPRGKRZSA-N -1 3 385.409 0.862 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(n2ccnc2)CC1 ZINC000821756720 606608632 /nfs/dbraw/zinc/60/86/32/606608632.db2.gz QVZDLZAERVYBFY-UHFFFAOYSA-N -1 3 396.411 0.874 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000821757520 606608704 /nfs/dbraw/zinc/60/87/04/606608704.db2.gz YLFISXIQBDDTFZ-GOEBONIOSA-N -1 3 394.391 0.588 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000821757520 606608705 /nfs/dbraw/zinc/60/87/05/606608705.db2.gz YLFISXIQBDDTFZ-GOEBONIOSA-N -1 3 394.391 0.588 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000822216493 606608807 /nfs/dbraw/zinc/60/88/07/606608807.db2.gz QJFQJULTYXOUKP-UHFFFAOYSA-N -1 3 387.444 0.029 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1=O ZINC000820126914 606609155 /nfs/dbraw/zinc/60/91/55/606609155.db2.gz FFIFWESWYQXKKE-JTQLQIEISA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1=O ZINC000820126914 606609157 /nfs/dbraw/zinc/60/91/57/606609157.db2.gz FFIFWESWYQXKKE-JTQLQIEISA-N -1 3 391.819 0.584 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821509591 606609883 /nfs/dbraw/zinc/60/98/83/606609883.db2.gz JURSQFDJVZFFNN-LBPRGKRZSA-N -1 3 381.400 0.090 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821509591 606609885 /nfs/dbraw/zinc/60/98/85/606609885.db2.gz JURSQFDJVZFFNN-LBPRGKRZSA-N -1 3 381.400 0.090 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H](CCO)C1 ZINC000821401672 606610048 /nfs/dbraw/zinc/61/00/48/606610048.db2.gz ZAOPSRSEAJSCOJ-LBPRGKRZSA-N -1 3 388.428 0.825 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](CCO)C1 ZINC000821401672 606610049 /nfs/dbraw/zinc/61/00/49/606610049.db2.gz ZAOPSRSEAJSCOJ-LBPRGKRZSA-N -1 3 388.428 0.825 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1-c1nnn[n-]1 ZINC000822314555 606610587 /nfs/dbraw/zinc/61/05/87/606610587.db2.gz VERFVSJPTBZQIN-CYBMUJFWSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cccn3)C2)c1-c1nn[n-]n1 ZINC000822314555 606610588 /nfs/dbraw/zinc/61/05/88/606610588.db2.gz VERFVSJPTBZQIN-CYBMUJFWSA-N -1 3 396.411 0.238 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820020303 606610982 /nfs/dbraw/zinc/61/09/82/606610982.db2.gz DKLSOOJOFJAHFZ-JTQLQIEISA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820020303 606610984 /nfs/dbraw/zinc/61/09/84/606610984.db2.gz DKLSOOJOFJAHFZ-JTQLQIEISA-N -1 3 398.370 0.930 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C(=O)N2CCCC2)C(C)C)c1-c1nnn[n-]1 ZINC000822323315 606612033 /nfs/dbraw/zinc/61/20/33/606612033.db2.gz FQDIWHOXEQOEQP-HNNXBMFYSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](C(=O)N2CCCC2)C(C)C)c1-c1nn[n-]n1 ZINC000822323315 606612035 /nfs/dbraw/zinc/61/20/35/606612035.db2.gz FQDIWHOXEQOEQP-HNNXBMFYSA-N -1 3 399.455 0.877 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CCO)CSC ZINC000821755404 606612595 /nfs/dbraw/zinc/61/25/95/606612595.db2.gz FYYRBDKXVNPZGC-SNVBAGLBSA-N -1 3 380.430 0.044 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CCO)CSC ZINC000821755404 606612597 /nfs/dbraw/zinc/61/25/97/606612597.db2.gz FYYRBDKXVNPZGC-SNVBAGLBSA-N -1 3 380.430 0.044 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](CO)SC ZINC000821400601 606612824 /nfs/dbraw/zinc/61/28/24/606612824.db2.gz MEQQYBZYGQQJQK-TVQRCGJNSA-N -1 3 394.457 0.433 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](CO)SC ZINC000821400601 606612825 /nfs/dbraw/zinc/61/28/25/606612825.db2.gz MEQQYBZYGQQJQK-TVQRCGJNSA-N -1 3 394.457 0.433 20 0 GCADHM CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000820907433 606612928 /nfs/dbraw/zinc/61/29/28/606612928.db2.gz CVJXRGKVORUIIK-CQSZACIVSA-N -1 3 387.444 0.029 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](CO)SC ZINC000821757505 606613168 /nfs/dbraw/zinc/61/31/68/606613168.db2.gz YGMQQUCLWOFOBY-QPUJVOFHSA-N -1 3 380.430 0.042 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](CO)SC ZINC000821757505 606613170 /nfs/dbraw/zinc/61/31/70/606613170.db2.gz YGMQQUCLWOFOBY-QPUJVOFHSA-N -1 3 380.430 0.042 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1-c1nnn[n-]1 ZINC000822314452 606613563 /nfs/dbraw/zinc/61/35/63/606613563.db2.gz SYUZLEOFGCGNBS-NQBHXWOUSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1-c1nn[n-]n1 ZINC000822314452 606613565 /nfs/dbraw/zinc/61/35/65/606613565.db2.gz SYUZLEOFGCGNBS-NQBHXWOUSA-N -1 3 383.412 0.239 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000823333121 606613947 /nfs/dbraw/zinc/61/39/47/606613947.db2.gz XUTKHUDNOMGOIP-ZDUSSCGKSA-N -1 3 388.281 0.470 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000823333121 606613948 /nfs/dbraw/zinc/61/39/48/606613948.db2.gz XUTKHUDNOMGOIP-ZDUSSCGKSA-N -1 3 388.281 0.470 20 0 GCADHM CO[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1(C)C ZINC000821677645 606614344 /nfs/dbraw/zinc/61/43/44/606614344.db2.gz BCYILOUVBCZCAL-UONOGXRCSA-N -1 3 386.460 0.907 20 0 GCADHM CO[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1(C)C ZINC000821677645 606614345 /nfs/dbraw/zinc/61/43/45/606614345.db2.gz BCYILOUVBCZCAL-UONOGXRCSA-N -1 3 386.460 0.907 20 0 GCADHM C[C@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396358 606620023 /nfs/dbraw/zinc/62/00/23/606620023.db2.gz FRFUFYCCHHXBJJ-JTQLQIEISA-N -1 3 390.425 1.000 20 0 GCADHM C[C@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396358 606620024 /nfs/dbraw/zinc/62/00/24/606620024.db2.gz FRFUFYCCHHXBJJ-JTQLQIEISA-N -1 3 390.425 1.000 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636348 606623529 /nfs/dbraw/zinc/62/35/29/606623529.db2.gz OGZIGJYXYFMASS-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636348 606623531 /nfs/dbraw/zinc/62/35/31/606623531.db2.gz OGZIGJYXYFMASS-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000821700069 606626000 /nfs/dbraw/zinc/62/60/00/606626000.db2.gz BYUZBFCSCLAAGB-AAEUAGOBSA-N -1 3 377.401 0.564 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000821700069 606626002 /nfs/dbraw/zinc/62/60/02/606626002.db2.gz BYUZBFCSCLAAGB-AAEUAGOBSA-N -1 3 377.401 0.564 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820287353 606631820 /nfs/dbraw/zinc/63/18/20/606631820.db2.gz LBBYWOVAKYAOGT-DGCLKSJQSA-N -1 3 376.421 0.167 20 0 GCADHM C[C@H](CO[C@@H]1CCOC1)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820287353 606631822 /nfs/dbraw/zinc/63/18/22/606631822.db2.gz LBBYWOVAKYAOGT-DGCLKSJQSA-N -1 3 376.421 0.167 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823001245 606632265 /nfs/dbraw/zinc/63/22/65/606632265.db2.gz IUISHRWRWZZTPV-LSDHHAIUSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823001245 606632267 /nfs/dbraw/zinc/63/22/67/606632267.db2.gz IUISHRWRWZZTPV-LSDHHAIUSA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2ccco2)C1 ZINC000823162669 606633634 /nfs/dbraw/zinc/63/36/34/606633634.db2.gz ZCCSYKFBLCPSJM-OAHLLOKOSA-N -1 3 382.380 0.790 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2ccco2)C1 ZINC000823162669 606633635 /nfs/dbraw/zinc/63/36/35/606633635.db2.gz ZCCSYKFBLCPSJM-OAHLLOKOSA-N -1 3 382.380 0.790 20 0 GCADHM COc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)sc1S(N)(=O)=O ZINC000821702927 606636155 /nfs/dbraw/zinc/63/61/55/606636155.db2.gz HLOPVMXKQPQJOS-UHFFFAOYSA-N -1 3 398.401 0.976 20 0 GCADHM O=C(CN(CCO)CCO)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000822992833 606637533 /nfs/dbraw/zinc/63/75/33/606637533.db2.gz NMPOWXKMHZUBDB-UHFFFAOYSA-N -1 3 380.474 0.422 20 0 GCADHM O=C(CN(CCO)CCO)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000822992833 606637534 /nfs/dbraw/zinc/63/75/34/606637534.db2.gz NMPOWXKMHZUBDB-UHFFFAOYSA-N -1 3 380.474 0.422 20 0 GCADHM CC(=O)NCCNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000819810360 606638432 /nfs/dbraw/zinc/63/84/32/606638432.db2.gz IGNWRKPFNHQOBM-UHFFFAOYSA-N -1 3 389.235 0.044 20 0 GCADHM CC(=O)NCCNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000819810360 606638433 /nfs/dbraw/zinc/63/84/33/606638433.db2.gz IGNWRKPFNHQOBM-UHFFFAOYSA-N -1 3 389.235 0.044 20 0 GCADHM O=S(=O)(NCCn1ccnc1)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000823578373 606639146 /nfs/dbraw/zinc/63/91/46/606639146.db2.gz NBFFFIICXHKPBO-UHFFFAOYSA-N -1 3 398.246 0.804 20 0 GCADHM O=S(=O)(NCCn1ccnc1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000823578373 606639147 /nfs/dbraw/zinc/63/91/47/606639147.db2.gz NBFFFIICXHKPBO-UHFFFAOYSA-N -1 3 398.246 0.804 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000822222959 606639742 /nfs/dbraw/zinc/63/97/42/606639742.db2.gz ZHYWOBZNQIPHJI-CQSZACIVSA-N -1 3 392.485 0.518 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000822439646 606641192 /nfs/dbraw/zinc/64/11/92/606641192.db2.gz CPYOVYOHWOQILQ-CQSZACIVSA-N -1 3 398.427 0.670 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000822439646 606641193 /nfs/dbraw/zinc/64/11/93/606641193.db2.gz CPYOVYOHWOQILQ-CQSZACIVSA-N -1 3 398.427 0.670 20 0 GCADHM COc1cc2c(cc1OC)CN(C(=O)Cn1nc(C)c(-c3nnn[n-]3)c1N)CC2 ZINC000821728044 606654404 /nfs/dbraw/zinc/65/44/04/606654404.db2.gz QZJCESHULJCRBJ-UHFFFAOYSA-N -1 3 398.427 0.556 20 0 GCADHM COc1cc2c(cc1OC)CN(C(=O)Cn1nc(C)c(-c3nn[n-]n3)c1N)CC2 ZINC000821728044 606654405 /nfs/dbraw/zinc/65/44/05/606654405.db2.gz QZJCESHULJCRBJ-UHFFFAOYSA-N -1 3 398.427 0.556 20 0 GCADHM COc1cc(C[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc(OC)c1 ZINC000821713401 606658358 /nfs/dbraw/zinc/65/83/58/606658358.db2.gz VZCSBLISNMVKAE-ZDUSSCGKSA-N -1 3 398.423 0.860 20 0 GCADHM COc1cc(C[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc(OC)c1 ZINC000821713401 606658359 /nfs/dbraw/zinc/65/83/59/606658359.db2.gz VZCSBLISNMVKAE-ZDUSSCGKSA-N -1 3 398.423 0.860 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000821608281 606658867 /nfs/dbraw/zinc/65/88/67/606658867.db2.gz AHQOAUHUBXTJPT-UHFFFAOYSA-N -1 3 390.354 0.925 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1ccn(CC(F)F)n1 ZINC000821608281 606658868 /nfs/dbraw/zinc/65/88/68/606658868.db2.gz AHQOAUHUBXTJPT-UHFFFAOYSA-N -1 3 390.354 0.925 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821695141 606659292 /nfs/dbraw/zinc/65/92/92/606659292.db2.gz LDIVWVAODGFOPX-UHFFFAOYSA-N -1 3 388.363 0.104 20 0 GCADHM COCCn1ccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821695141 606659293 /nfs/dbraw/zinc/65/92/93/606659293.db2.gz LDIVWVAODGFOPX-UHFFFAOYSA-N -1 3 388.363 0.104 20 0 GCADHM COC[C@](C)(O)C(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821681901 606659669 /nfs/dbraw/zinc/65/96/69/606659669.db2.gz UZLWJOGQBCJCHW-SFHVURJKSA-N -1 3 388.428 0.441 20 0 GCADHM COC[C@](C)(O)C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821681901 606659670 /nfs/dbraw/zinc/65/96/70/606659670.db2.gz UZLWJOGQBCJCHW-SFHVURJKSA-N -1 3 388.428 0.441 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCO)CCN1CCOCC1 ZINC000822217435 606660544 /nfs/dbraw/zinc/66/05/44/606660544.db2.gz DSWKJBAXFCPEHZ-UHFFFAOYSA-N -1 3 375.433 0.334 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCO)CCN1CCOCC1 ZINC000822217435 606660545 /nfs/dbraw/zinc/66/05/45/606660545.db2.gz DSWKJBAXFCPEHZ-UHFFFAOYSA-N -1 3 375.433 0.334 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000821510073 606666186 /nfs/dbraw/zinc/66/61/86/606666186.db2.gz VNTMIYCUDHONQO-GFCCVEGCSA-N -1 3 397.447 0.662 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000821510073 606666187 /nfs/dbraw/zinc/66/61/87/606666187.db2.gz VNTMIYCUDHONQO-GFCCVEGCSA-N -1 3 397.447 0.662 20 0 GCADHM CCNC(=O)CN1CCCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821286367 606669413 /nfs/dbraw/zinc/66/94/13/606669413.db2.gz QVEBDYSERMKUSW-UHFFFAOYSA-N -1 3 393.398 0.429 20 0 GCADHM CCNC(=O)CN1CCCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821286367 606669414 /nfs/dbraw/zinc/66/94/14/606669414.db2.gz QVEBDYSERMKUSW-UHFFFAOYSA-N -1 3 393.398 0.429 20 0 GCADHM CSc1nn(C)c(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1C(N)=O ZINC000821989836 606680051 /nfs/dbraw/zinc/68/00/51/606680051.db2.gz LZTHLWZOPWGDHY-UHFFFAOYSA-N -1 3 394.367 0.952 20 0 GCADHM CSc1nn(C)c(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1C(N)=O ZINC000821989836 606680052 /nfs/dbraw/zinc/68/00/52/606680052.db2.gz LZTHLWZOPWGDHY-UHFFFAOYSA-N -1 3 394.367 0.952 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2=O)cn1 ZINC000822681258 606680823 /nfs/dbraw/zinc/68/08/23/606680823.db2.gz VYISZPFKROSTEU-LBPRGKRZSA-N -1 3 388.338 0.414 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2=O)cn1 ZINC000822681258 606680824 /nfs/dbraw/zinc/68/08/24/606680824.db2.gz VYISZPFKROSTEU-LBPRGKRZSA-N -1 3 388.338 0.414 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821369374 606681590 /nfs/dbraw/zinc/68/15/90/606681590.db2.gz ZSWUISGFYFWWFE-LBPRGKRZSA-N -1 3 396.398 0.300 20 0 GCADHM CCOC[C@@H](O)CN1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821369374 606681591 /nfs/dbraw/zinc/68/15/91/606681591.db2.gz ZSWUISGFYFWWFE-LBPRGKRZSA-N -1 3 396.398 0.300 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCO[C@@H](Cn2cncn2)C1 ZINC000823460760 606686219 /nfs/dbraw/zinc/68/62/19/606686219.db2.gz UBQQWCHGARQZOK-SNVBAGLBSA-N -1 3 376.327 0.278 20 0 GCADHM O=C(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCO[C@@H](Cn2cncn2)C1 ZINC000823460760 606686220 /nfs/dbraw/zinc/68/62/20/606686220.db2.gz UBQQWCHGARQZOK-SNVBAGLBSA-N -1 3 376.327 0.278 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CCN2C1=O ZINC000821242809 606689020 /nfs/dbraw/zinc/68/90/20/606689020.db2.gz WFSGERZHSQSFRB-LLVKDONJSA-N -1 3 391.338 0.253 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CCN2C1=O ZINC000821242809 606689021 /nfs/dbraw/zinc/68/90/21/606689021.db2.gz WFSGERZHSQSFRB-LLVKDONJSA-N -1 3 391.338 0.253 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819856774 606691474 /nfs/dbraw/zinc/69/14/74/606691474.db2.gz LRKABLGULZLQGH-HNNXBMFYSA-N -1 3 397.483 0.564 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819856774 606691475 /nfs/dbraw/zinc/69/14/75/606691475.db2.gz LRKABLGULZLQGH-HNNXBMFYSA-N -1 3 397.483 0.564 20 0 GCADHM Cc1oc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1S(N)(=O)=O ZINC000822542409 606694381 /nfs/dbraw/zinc/69/43/81/606694381.db2.gz XTILPZOPAUPXJT-UHFFFAOYSA-N -1 3 380.361 0.485 20 0 GCADHM Cc1oc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1S(N)(=O)=O ZINC000822542409 606694382 /nfs/dbraw/zinc/69/43/82/606694382.db2.gz XTILPZOPAUPXJT-UHFFFAOYSA-N -1 3 380.361 0.485 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H]1CSCCS1 ZINC000823005267 606698435 /nfs/dbraw/zinc/69/84/35/606698435.db2.gz JLCDQVFVPCPZON-LBPRGKRZSA-N -1 3 378.483 0.561 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H]1CSCCS1 ZINC000823005267 606698436 /nfs/dbraw/zinc/69/84/36/606698436.db2.gz JLCDQVFVPCPZON-LBPRGKRZSA-N -1 3 378.483 0.561 20 0 GCADHM CC(=O)Nc1nc(CN(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cs1 ZINC000819827736 606699036 /nfs/dbraw/zinc/69/90/36/606699036.db2.gz WEBGHVBAEUNBDG-UHFFFAOYSA-N -1 3 376.450 0.652 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1nnnn1-c1ccccc1 ZINC000821601537 606702512 /nfs/dbraw/zinc/70/25/12/606702512.db2.gz MIIZZQGSYXPLRG-UHFFFAOYSA-N -1 3 380.420 0.212 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1nnnn1-c1ccccc1 ZINC000821601537 606702514 /nfs/dbraw/zinc/70/25/14/606702514.db2.gz MIIZZQGSYXPLRG-UHFFFAOYSA-N -1 3 380.420 0.212 20 0 GCADHM COC[C@](C)(CC(=O)OC)NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821680734 606710442 /nfs/dbraw/zinc/71/04/42/606710442.db2.gz SQFCGACNKZSCGI-KRWDZBQOSA-N -1 3 387.400 0.975 20 0 GCADHM COC[C@](C)(CC(=O)OC)NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821680734 606710443 /nfs/dbraw/zinc/71/04/43/606710443.db2.gz SQFCGACNKZSCGI-KRWDZBQOSA-N -1 3 387.400 0.975 20 0 GCADHM COC(=O)[C@@H]1CN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C[C@@H]1C ZINC000821655663 606716075 /nfs/dbraw/zinc/71/60/75/606716075.db2.gz PCADACJPBFKGHT-MVWJERBFSA-N -1 3 376.442 0.774 20 0 GCADHM COC(=O)[C@@H]1CN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C[C@@H]1C ZINC000821655663 606716077 /nfs/dbraw/zinc/71/60/77/606716077.db2.gz PCADACJPBFKGHT-MVWJERBFSA-N -1 3 376.442 0.774 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821696598 606717298 /nfs/dbraw/zinc/71/72/98/606717298.db2.gz JAOVKLNSMGOTMW-ZFWWWQNUSA-N -1 3 398.427 0.943 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821696598 606717300 /nfs/dbraw/zinc/71/73/00/606717300.db2.gz JAOVKLNSMGOTMW-ZFWWWQNUSA-N -1 3 398.427 0.943 20 0 GCADHM COc1ccc(C[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1O ZINC000821790031 606718536 /nfs/dbraw/zinc/71/85/36/606718536.db2.gz FJXJQVCBKUGKGS-LBPRGKRZSA-N -1 3 386.412 0.500 20 0 GCADHM COc1ccc(C[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1O ZINC000821790031 606718538 /nfs/dbraw/zinc/71/85/38/606718538.db2.gz FJXJQVCBKUGKGS-LBPRGKRZSA-N -1 3 386.412 0.500 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC000819858018 606719626 /nfs/dbraw/zinc/71/96/26/606719626.db2.gz XWXVSIUVSLFTSO-MRXNPFEDSA-N -1 3 399.499 0.874 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC000819858018 606719627 /nfs/dbraw/zinc/71/96/27/606719627.db2.gz XWXVSIUVSLFTSO-MRXNPFEDSA-N -1 3 399.499 0.874 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000819857431 606730370 /nfs/dbraw/zinc/73/03/70/606730370.db2.gz RTUUOZIMUCXYQQ-AWEZNQCLSA-N -1 3 396.499 0.883 20 0 GCADHM C[C@@H](C(=O)N1CCCC1)N1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000819857431 606730372 /nfs/dbraw/zinc/73/03/72/606730372.db2.gz RTUUOZIMUCXYQQ-AWEZNQCLSA-N -1 3 396.499 0.883 20 0 GCADHM O=S(=O)(CC[C@@H]1CCCO1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823556895 606731706 /nfs/dbraw/zinc/73/17/06/606731706.db2.gz BADZRUYIPJRQOB-ZDUSSCGKSA-N -1 3 393.473 0.283 20 0 GCADHM O=S(=O)(CC[C@@H]1CCCO1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823556895 606731708 /nfs/dbraw/zinc/73/17/08/606731708.db2.gz BADZRUYIPJRQOB-ZDUSSCGKSA-N -1 3 393.473 0.283 20 0 GCADHM CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820102809 606735580 /nfs/dbraw/zinc/73/55/80/606735580.db2.gz LOTLQVFXWQYCAN-LLVKDONJSA-N -1 3 396.835 0.608 20 0 GCADHM CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820102809 606735581 /nfs/dbraw/zinc/73/55/81/606735581.db2.gz LOTLQVFXWQYCAN-LLVKDONJSA-N -1 3 396.835 0.608 20 0 GCADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1c(C)cc(-c2nnn[n-]2)cc1C ZINC000821442186 606737785 /nfs/dbraw/zinc/73/77/85/606737785.db2.gz QCQYOGACJOVTRF-UHFFFAOYSA-N -1 3 389.459 0.131 20 0 GCADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1c(C)cc(-c2nn[n-]n2)cc1C ZINC000821442186 606737787 /nfs/dbraw/zinc/73/77/87/606737787.db2.gz QCQYOGACJOVTRF-UHFFFAOYSA-N -1 3 389.459 0.131 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820875883 606737960 /nfs/dbraw/zinc/73/79/60/606737960.db2.gz HWCKYURJRSSFFN-IUCAKERBSA-N -1 3 393.835 0.878 20 0 GCADHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820875883 606737962 /nfs/dbraw/zinc/73/79/62/606737962.db2.gz HWCKYURJRSSFFN-IUCAKERBSA-N -1 3 393.835 0.878 20 0 GCADHM COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000821665959 606737986 /nfs/dbraw/zinc/73/79/86/606737986.db2.gz NFASWWWNWPCDQU-ZCFIWIBFSA-N -1 3 379.320 0.725 20 0 GCADHM COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821665959 606737987 /nfs/dbraw/zinc/73/79/87/606737987.db2.gz NFASWWWNWPCDQU-ZCFIWIBFSA-N -1 3 379.320 0.725 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1=O ZINC000820127051 606738965 /nfs/dbraw/zinc/73/89/65/606738965.db2.gz HUBOGDRVFMWGLL-LLVKDONJSA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1=O ZINC000820127051 606738967 /nfs/dbraw/zinc/73/89/67/606738967.db2.gz HUBOGDRVFMWGLL-LLVKDONJSA-N -1 3 391.819 0.584 20 0 GCADHM Cn1cc([C@]2(C)CN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822673956 606739376 /nfs/dbraw/zinc/73/93/76/606739376.db2.gz HNBOVIDKRYJDSI-INIZCTEOSA-N -1 3 389.441 0.537 20 0 GCADHM Cn1cc([C@]2(C)CN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822673956 606739377 /nfs/dbraw/zinc/73/93/77/606739377.db2.gz HNBOVIDKRYJDSI-INIZCTEOSA-N -1 3 389.441 0.537 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C2(CCCCC2)C1 ZINC000821629113 606739582 /nfs/dbraw/zinc/73/95/82/606739582.db2.gz ZCSMPIAHWDUECG-UHFFFAOYSA-N -1 3 377.474 0.901 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C2(CCCCC2)C1 ZINC000821629113 606739585 /nfs/dbraw/zinc/73/95/85/606739585.db2.gz ZCSMPIAHWDUECG-UHFFFAOYSA-N -1 3 377.474 0.901 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821696945 606739569 /nfs/dbraw/zinc/73/95/69/606739569.db2.gz VIBOEWLOLYZSBY-GFCCVEGCSA-N -1 3 390.429 0.418 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821696945 606739571 /nfs/dbraw/zinc/73/95/71/606739571.db2.gz VIBOEWLOLYZSBY-GFCCVEGCSA-N -1 3 390.429 0.418 20 0 GCADHM CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000821631222 606739822 /nfs/dbraw/zinc/73/98/22/606739822.db2.gz BPWUFLBZJJVKLJ-SNVBAGLBSA-N -1 3 391.819 0.443 20 0 GCADHM CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000821631222 606739823 /nfs/dbraw/zinc/73/98/23/606739823.db2.gz BPWUFLBZJJVKLJ-SNVBAGLBSA-N -1 3 391.819 0.443 20 0 GCADHM CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821948567 606743364 /nfs/dbraw/zinc/74/33/64/606743364.db2.gz CQXHCDRBYDEPGV-RDDDGLTNSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821948567 606743365 /nfs/dbraw/zinc/74/33/65/606743365.db2.gz CQXHCDRBYDEPGV-RDDDGLTNSA-N -1 3 384.849 0.687 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000821691267 606743572 /nfs/dbraw/zinc/74/35/72/606743572.db2.gz OKLFHXVWICSPJY-UHFFFAOYSA-N -1 3 393.835 0.249 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000821691267 606743574 /nfs/dbraw/zinc/74/35/74/606743574.db2.gz OKLFHXVWICSPJY-UHFFFAOYSA-N -1 3 393.835 0.249 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000821286648 606744010 /nfs/dbraw/zinc/74/40/10/606744010.db2.gz UIFQOQXCPCMVGV-GFCCVEGCSA-N -1 3 389.416 0.174 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000821286648 606744012 /nfs/dbraw/zinc/74/40/12/606744012.db2.gz UIFQOQXCPCMVGV-GFCCVEGCSA-N -1 3 389.416 0.174 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821696829 606744022 /nfs/dbraw/zinc/74/40/22/606744022.db2.gz QXPBECSMYMOFTB-CYBMUJFWSA-N -1 3 383.416 0.939 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821696829 606744024 /nfs/dbraw/zinc/74/40/24/606744024.db2.gz QXPBECSMYMOFTB-CYBMUJFWSA-N -1 3 383.416 0.939 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821696830 606744278 /nfs/dbraw/zinc/74/42/78/606744278.db2.gz QXPBECSMYMOFTB-ZDUSSCGKSA-N -1 3 383.416 0.939 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821696830 606744281 /nfs/dbraw/zinc/74/42/81/606744281.db2.gz QXPBECSMYMOFTB-ZDUSSCGKSA-N -1 3 383.416 0.939 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C(C)(C)C1=O ZINC000821628638 606744606 /nfs/dbraw/zinc/74/46/06/606744606.db2.gz NFGILPILSUSOKW-UHFFFAOYSA-N -1 3 384.849 0.761 20 0 GCADHM CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C(C)(C)C1=O ZINC000821628638 606744608 /nfs/dbraw/zinc/74/46/08/606744608.db2.gz NFGILPILSUSOKW-UHFFFAOYSA-N -1 3 384.849 0.761 20 0 GCADHM CC(C)C[C@@H](C(=O)OCCn1ncc(-c2nnn[n-]2)c1N)N1CCCCC1=O ZINC000820051897 606747174 /nfs/dbraw/zinc/74/71/74/606747174.db2.gz XFWHMKQKQZVRDG-ZDUSSCGKSA-N -1 3 390.448 0.616 20 0 GCADHM CC(C)C[C@@H](C(=O)OCCn1ncc(-c2nn[n-]n2)c1N)N1CCCCC1=O ZINC000820051897 606747176 /nfs/dbraw/zinc/74/71/76/606747176.db2.gz XFWHMKQKQZVRDG-ZDUSSCGKSA-N -1 3 390.448 0.616 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)CCCO ZINC000820241539 606750084 /nfs/dbraw/zinc/75/00/84/606750084.db2.gz GOPPJVGNAFZPQX-LLVKDONJSA-N -1 3 376.417 0.870 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)CCCO ZINC000820241539 606750086 /nfs/dbraw/zinc/75/00/86/606750086.db2.gz GOPPJVGNAFZPQX-LLVKDONJSA-N -1 3 376.417 0.870 20 0 GCADHM CN1CCO[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC000821628655 606752158 /nfs/dbraw/zinc/75/21/58/606752158.db2.gz NWKSFFWGRDYXAQ-GVDBMIGSSA-N -1 3 383.456 0.377 20 0 GCADHM CN1CCO[C@@H]2CN(C(=O)[C@@H]3CCCN3c3ccc(-c4nn[n-]n4)cc3)C[C@@H]21 ZINC000821628657 606752221 /nfs/dbraw/zinc/75/22/21/606752221.db2.gz NWKSFFWGRDYXAQ-YESZJQIVSA-N -1 3 383.456 0.377 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821696715 606753852 /nfs/dbraw/zinc/75/38/52/606753852.db2.gz NFMKIILZAPIHBE-ZDUSSCGKSA-N -1 3 384.400 0.635 20 0 GCADHM CS(=O)(=O)C1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000821919553 606753855 /nfs/dbraw/zinc/75/38/55/606753855.db2.gz CKQMSZLQBDAAEK-UHFFFAOYSA-N -1 3 398.876 0.968 20 0 GCADHM CS(=O)(=O)C1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000821919553 606753858 /nfs/dbraw/zinc/75/38/58/606753858.db2.gz CKQMSZLQBDAAEK-UHFFFAOYSA-N -1 3 398.876 0.968 20 0 GCADHM CS(=O)(=O)C1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821919435 606753885 /nfs/dbraw/zinc/75/38/85/606753885.db2.gz BKERXGDPOIBDPP-ZDUSSCGKSA-N -1 3 381.458 0.115 20 0 GCADHM COC(=O)CCc1nc(COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)no1 ZINC000821661356 606755538 /nfs/dbraw/zinc/75/55/38/606755538.db2.gz FQEGUIJKEDYPOG-UHFFFAOYSA-N -1 3 394.294 0.991 20 0 GCADHM COC(=O)CCc1nc(COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)no1 ZINC000821661356 606755539 /nfs/dbraw/zinc/75/55/39/606755539.db2.gz FQEGUIJKEDYPOG-UHFFFAOYSA-N -1 3 394.294 0.991 20 0 GCADHM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822859415 606756137 /nfs/dbraw/zinc/75/61/37/606756137.db2.gz HACJYOPRGUNJBK-NSHDSACASA-N -1 3 394.338 0.168 20 0 GCADHM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822859415 606756138 /nfs/dbraw/zinc/75/61/38/606756138.db2.gz HACJYOPRGUNJBK-NSHDSACASA-N -1 3 394.338 0.168 20 0 GCADHM Cn1cc([C@]2(C)CN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822670045 606757582 /nfs/dbraw/zinc/75/75/82/606757582.db2.gz ZPENMXOYQIFPGC-QAPCUYQASA-N -1 3 382.428 0.374 20 0 GCADHM Cn1cc([C@]2(C)CN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822670045 606757584 /nfs/dbraw/zinc/75/75/84/606757584.db2.gz ZPENMXOYQIFPGC-QAPCUYQASA-N -1 3 382.428 0.374 20 0 GCADHM Cn1cc([C@]2(C)CN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822669798 606757815 /nfs/dbraw/zinc/75/78/15/606757815.db2.gz PZXUEKNVXIFETD-IBGZPJMESA-N -1 3 396.455 0.464 20 0 GCADHM Cn1cc([C@]2(C)CN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822669798 606757816 /nfs/dbraw/zinc/75/78/16/606757816.db2.gz PZXUEKNVXIFETD-IBGZPJMESA-N -1 3 396.455 0.464 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820133997 606758183 /nfs/dbraw/zinc/75/81/83/606758183.db2.gz VKGNCZQCWIHPHT-SSDOTTSWSA-N -1 3 382.327 0.924 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820133997 606758185 /nfs/dbraw/zinc/75/81/85/606758185.db2.gz VKGNCZQCWIHPHT-SSDOTTSWSA-N -1 3 382.327 0.924 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000819867065 606761014 /nfs/dbraw/zinc/76/10/14/606761014.db2.gz QVBFAGZUYWNDIL-VCTAVGKDSA-N -1 3 391.863 0.862 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000819867065 606761015 /nfs/dbraw/zinc/76/10/15/606761015.db2.gz QVBFAGZUYWNDIL-VCTAVGKDSA-N -1 3 391.863 0.862 20 0 GCADHM CCOC(=O)CN1CCC[C@H](OC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821330833 606762531 /nfs/dbraw/zinc/76/25/31/606762531.db2.gz UGTWGHJURWJTQA-HNNXBMFYSA-N -1 3 389.412 0.816 20 0 GCADHM CCOC(=O)CN1CCC[C@H](OC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821330833 606762532 /nfs/dbraw/zinc/76/25/32/606762532.db2.gz UGTWGHJURWJTQA-HNNXBMFYSA-N -1 3 389.412 0.816 20 0 GCADHM Cc1nnc([C@H]2CCCN(C(=O)C(=O)Nc3cccc(C)c3-c3nn[n-]n3)C2)[nH]1 ZINC000822436254 606766517 /nfs/dbraw/zinc/76/65/17/606766517.db2.gz JXZQHDZEJJLANU-LBPRGKRZSA-N -1 3 395.427 0.946 20 0 GCADHM CN(C)C(=O)CCN1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821575558 606767729 /nfs/dbraw/zinc/76/77/29/606767729.db2.gz GUKLHZQNDUFHTE-UHFFFAOYSA-N -1 3 393.398 0.381 20 0 GCADHM CN(C)C(=O)CCN1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000821575558 606767731 /nfs/dbraw/zinc/76/77/31/606767731.db2.gz GUKLHZQNDUFHTE-UHFFFAOYSA-N -1 3 393.398 0.381 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000821755244 606767899 /nfs/dbraw/zinc/76/78/99/606767899.db2.gz CCRMPLRHCAUWIT-SCRDCRAPSA-N -1 3 386.412 0.888 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000821755244 606767901 /nfs/dbraw/zinc/76/79/01/606767901.db2.gz CCRMPLRHCAUWIT-SCRDCRAPSA-N -1 3 386.412 0.888 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000821755243 606768087 /nfs/dbraw/zinc/76/80/87/606768087.db2.gz CCRMPLRHCAUWIT-OUCADQQQSA-N -1 3 386.412 0.888 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000821755243 606768089 /nfs/dbraw/zinc/76/80/89/606768089.db2.gz CCRMPLRHCAUWIT-OUCADQQQSA-N -1 3 386.412 0.888 20 0 GCADHM NC(=O)C[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CCOCC1 ZINC000822864632 606772623 /nfs/dbraw/zinc/77/26/23/606772623.db2.gz HAGUKDHTPPYPHA-ZDUSSCGKSA-N -1 3 377.380 0.798 20 0 GCADHM NC(=O)C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CCOCC1 ZINC000822864632 606772625 /nfs/dbraw/zinc/77/26/25/606772625.db2.gz HAGUKDHTPPYPHA-ZDUSSCGKSA-N -1 3 377.380 0.798 20 0 GCADHM COc1ncncc1NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821919393 606774284 /nfs/dbraw/zinc/77/42/84/606774284.db2.gz AEVNSXOZLLTIJK-UHFFFAOYSA-N -1 3 382.388 0.414 20 0 GCADHM COc1ncncc1NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821919393 606774286 /nfs/dbraw/zinc/77/42/86/606774286.db2.gz AEVNSXOZLLTIJK-UHFFFAOYSA-N -1 3 382.388 0.414 20 0 GCADHM CC1(C)CN(CCC(=O)Nc2ccccc2-c2nnn[n-]2)CCS1(=O)=O ZINC000820602037 606775168 /nfs/dbraw/zinc/77/51/68/606775168.db2.gz ZMQDFUGPZXUEHG-UHFFFAOYSA-N -1 3 378.458 0.704 20 0 GCADHM CC1(C)CN(CCC(=O)Nc2ccccc2-c2nn[n-]n2)CCS1(=O)=O ZINC000820602037 606775169 /nfs/dbraw/zinc/77/51/69/606775169.db2.gz ZMQDFUGPZXUEHG-UHFFFAOYSA-N -1 3 378.458 0.704 20 0 GCADHM CC1(C)CN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CCS1(=O)=O ZINC000820601653 606775305 /nfs/dbraw/zinc/77/53/05/606775305.db2.gz QUWIETUDYMJIDA-NSHDSACASA-N -1 3 396.498 0.543 20 0 GCADHM CC1(C)CN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CCS1(=O)=O ZINC000820601653 606775306 /nfs/dbraw/zinc/77/53/06/606775306.db2.gz QUWIETUDYMJIDA-NSHDSACASA-N -1 3 396.498 0.543 20 0 GCADHM COC(=O)[C@H](Nc1cnc(OC)c(C(N)=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644500 606776392 /nfs/dbraw/zinc/77/63/92/606776392.db2.gz BCPBEGKZNWWYCE-CYBMUJFWSA-N -1 3 383.368 0.695 20 0 GCADHM COC(=O)[C@H](Nc1cnc(OC)c(C(N)=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644500 606776394 /nfs/dbraw/zinc/77/63/94/606776394.db2.gz BCPBEGKZNWWYCE-CYBMUJFWSA-N -1 3 383.368 0.695 20 0 GCADHM COC(=O)[C@H](Nc1cnc(OC)c(C(N)=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821645022 606776800 /nfs/dbraw/zinc/77/68/00/606776800.db2.gz OXZNRTNVZLFOLU-CYBMUJFWSA-N -1 3 383.368 0.695 20 0 GCADHM COC(=O)[C@H](Nc1cnc(OC)c(C(N)=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821645022 606776801 /nfs/dbraw/zinc/77/68/01/606776801.db2.gz OXZNRTNVZLFOLU-CYBMUJFWSA-N -1 3 383.368 0.695 20 0 GCADHM COc1ncc(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1C(N)=O ZINC000821920798 606777037 /nfs/dbraw/zinc/77/70/37/606777037.db2.gz YDDAFCURRLEHEI-SECBINFHSA-N -1 3 382.384 0.808 20 0 GCADHM COc1ncc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1C(N)=O ZINC000821920798 606777038 /nfs/dbraw/zinc/77/70/38/606777038.db2.gz YDDAFCURRLEHEI-SECBINFHSA-N -1 3 382.384 0.808 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC[S@](=O)c1ccccc1 ZINC000820788949 606777837 /nfs/dbraw/zinc/77/78/37/606777837.db2.gz RUEMNTVSLZYDRE-POXGOYDTSA-N -1 3 398.496 0.975 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(C(N)=O)cc1 ZINC000820804480 606785436 /nfs/dbraw/zinc/78/54/36/606785436.db2.gz SVPMQPDFRDTGGY-GFCCVEGCSA-N -1 3 379.428 0.466 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823190648 606795703 /nfs/dbraw/zinc/79/57/03/606795703.db2.gz BAXDNFYOBJZNSS-HNNXBMFYSA-N -1 3 376.417 0.740 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000820837728 606800899 /nfs/dbraw/zinc/80/08/99/606800899.db2.gz MBQXABVXGRFWRO-AWEZNQCLSA-N -1 3 398.471 0.709 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000820837728 606800901 /nfs/dbraw/zinc/80/09/01/606800901.db2.gz MBQXABVXGRFWRO-AWEZNQCLSA-N -1 3 398.471 0.709 20 0 GCADHM COc1ncc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC000821920665 606802853 /nfs/dbraw/zinc/80/28/53/606802853.db2.gz VWTPSWQZCAOFRF-SECBINFHSA-N -1 3 383.368 0.775 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)[C@@H]1CSC(=O)N1 ZINC000823540337 606809032 /nfs/dbraw/zinc/80/90/32/606809032.db2.gz AVTRDJLDUSAEMS-LBPRGKRZSA-N -1 3 389.441 0.591 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)[C@@H]1CSC(=O)N1 ZINC000823540337 606809033 /nfs/dbraw/zinc/80/90/33/606809033.db2.gz AVTRDJLDUSAEMS-LBPRGKRZSA-N -1 3 389.441 0.591 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCc2ccccc2[C@@H]1CO ZINC000823206166 606811753 /nfs/dbraw/zinc/81/17/53/606811753.db2.gz MIHCIFYLQDETNT-INIZCTEOSA-N -1 3 394.439 0.975 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCc2ccccc2[C@@H]1CO ZINC000823206166 606811754 /nfs/dbraw/zinc/81/17/54/606811754.db2.gz MIHCIFYLQDETNT-INIZCTEOSA-N -1 3 394.439 0.975 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823190688 606811857 /nfs/dbraw/zinc/81/18/57/606811857.db2.gz CLLNDSWCSHKGRT-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823190688 606811858 /nfs/dbraw/zinc/81/18/58/606811858.db2.gz CLLNDSWCSHKGRT-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823162671 606813347 /nfs/dbraw/zinc/81/33/47/606813347.db2.gz ZEDSTOGNFGUOQT-CABCVRRESA-N -1 3 386.412 0.003 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823162671 606813349 /nfs/dbraw/zinc/81/33/49/606813349.db2.gz ZEDSTOGNFGUOQT-CABCVRRESA-N -1 3 386.412 0.003 20 0 GCADHM CC(C)(C)N(CCS(C)(=O)=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000819914423 606813596 /nfs/dbraw/zinc/81/35/96/606813596.db2.gz RVIQGCFABMYALH-UHFFFAOYSA-N -1 3 380.474 0.950 20 0 GCADHM CC(C)(C)N(CCS(C)(=O)=O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000819914423 606813598 /nfs/dbraw/zinc/81/35/98/606813598.db2.gz RVIQGCFABMYALH-UHFFFAOYSA-N -1 3 380.474 0.950 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N1CC[C@@H](CCO)C1 ZINC000823294541 606815831 /nfs/dbraw/zinc/81/58/31/606815831.db2.gz GEJHRMMSCIBOIB-VIFPVBQESA-N -1 3 396.354 0.638 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N1CC[C@@H](CCO)C1 ZINC000823294541 606815832 /nfs/dbraw/zinc/81/58/32/606815832.db2.gz GEJHRMMSCIBOIB-VIFPVBQESA-N -1 3 396.354 0.638 20 0 GCADHM O=C(NC[C@@H]1CSCCS1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823181676 606815873 /nfs/dbraw/zinc/81/58/73/606815873.db2.gz CPPYGMAZNLDGTD-SECBINFHSA-N -1 3 382.446 0.909 20 0 GCADHM O=C(NC[C@@H]1CSCCS1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823181676 606815875 /nfs/dbraw/zinc/81/58/75/606815875.db2.gz CPPYGMAZNLDGTD-SECBINFHSA-N -1 3 382.446 0.909 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821637631 606816994 /nfs/dbraw/zinc/81/69/94/606816994.db2.gz NMBQTTLNLGPXGG-UHFFFAOYSA-N -1 3 380.792 0.774 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821637631 606816995 /nfs/dbraw/zinc/81/69/95/606816995.db2.gz NMBQTTLNLGPXGG-UHFFFAOYSA-N -1 3 380.792 0.774 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820838029 606817263 /nfs/dbraw/zinc/81/72/63/606817263.db2.gz OTXNKSZLXTWJJE-SNVBAGLBSA-N -1 3 375.364 0.071 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820838029 606817265 /nfs/dbraw/zinc/81/72/65/606817265.db2.gz OTXNKSZLXTWJJE-SNVBAGLBSA-N -1 3 375.364 0.071 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821932454 606818805 /nfs/dbraw/zinc/81/88/05/606818805.db2.gz NECZVZRTMOYINO-JSGCOSHPSA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821932454 606818806 /nfs/dbraw/zinc/81/88/06/606818806.db2.gz NECZVZRTMOYINO-JSGCOSHPSA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821932788 606819060 /nfs/dbraw/zinc/81/90/60/606819060.db2.gz QZCXVPQQRUEQTP-HUUCEWRRSA-N -1 3 392.485 0.633 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821932788 606819062 /nfs/dbraw/zinc/81/90/62/606819062.db2.gz QZCXVPQQRUEQTP-HUUCEWRRSA-N -1 3 392.485 0.633 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821932787 606819304 /nfs/dbraw/zinc/81/93/04/606819304.db2.gz QZCXVPQQRUEQTP-GJZGRUSLSA-N -1 3 392.485 0.633 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821932787 606819306 /nfs/dbraw/zinc/81/93/06/606819306.db2.gz QZCXVPQQRUEQTP-GJZGRUSLSA-N -1 3 392.485 0.633 20 0 GCADHM COC(=O)C[C@H]1CSCCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821660072 606822051 /nfs/dbraw/zinc/82/20/51/606822051.db2.gz FCPJTTAVJIDFHY-VIFPVBQESA-N -1 3 382.471 0.847 20 0 GCADHM COC(=O)C[C@H]1CSCCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821660072 606822053 /nfs/dbraw/zinc/82/20/53/606822053.db2.gz FCPJTTAVJIDFHY-VIFPVBQESA-N -1 3 382.471 0.847 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000819803865 606824646 /nfs/dbraw/zinc/82/46/46/606824646.db2.gz QPUGTXFQYXDXDA-INIZCTEOSA-N -1 3 394.439 0.857 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000819803865 606824647 /nfs/dbraw/zinc/82/46/47/606824647.db2.gz QPUGTXFQYXDXDA-INIZCTEOSA-N -1 3 394.439 0.857 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821932008 606830112 /nfs/dbraw/zinc/83/01/12/606830112.db2.gz ILHOFYZSKVOHOH-OCCSQVGLSA-N -1 3 393.473 0.113 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821932009 606830230 /nfs/dbraw/zinc/83/02/30/606830230.db2.gz ILHOFYZSKVOHOH-TZMCWYRMSA-N -1 3 393.473 0.113 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000820789298 606831279 /nfs/dbraw/zinc/83/12/79/606831279.db2.gz ZZUTWGUYSVPABW-SNVBAGLBSA-N -1 3 391.399 0.279 20 0 GCADHM Cc1c(NC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000822075405 606833340 /nfs/dbraw/zinc/83/33/40/606833340.db2.gz DZSDHPFPZZLIPK-UHFFFAOYSA-N -1 3 375.414 0.462 20 0 GCADHM Cc1c(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000822075405 606833342 /nfs/dbraw/zinc/83/33/42/606833342.db2.gz DZSDHPFPZZLIPK-UHFFFAOYSA-N -1 3 375.414 0.462 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823206471 606833940 /nfs/dbraw/zinc/83/39/40/606833940.db2.gz SKYCNFLXHXREQW-ZIAGYGMSSA-N -1 3 388.432 0.263 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823206471 606833941 /nfs/dbraw/zinc/83/39/41/606833941.db2.gz SKYCNFLXHXREQW-ZIAGYGMSSA-N -1 3 388.432 0.263 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cn1cc([C@H](C)O)nn1 ZINC000821690041 606835314 /nfs/dbraw/zinc/83/53/14/606835314.db2.gz WXGABKNGLWAAIK-LBPRGKRZSA-N -1 3 386.416 0.187 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cn1cc([C@H](C)O)nn1 ZINC000821690041 606835315 /nfs/dbraw/zinc/83/53/15/606835315.db2.gz WXGABKNGLWAAIK-LBPRGKRZSA-N -1 3 386.416 0.187 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000822216042 606837783 /nfs/dbraw/zinc/83/77/83/606837783.db2.gz CQXJUJLWLWPGQX-LSDHHAIUSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000822216042 606837784 /nfs/dbraw/zinc/83/77/84/606837784.db2.gz CQXJUJLWLWPGQX-LSDHHAIUSA-N -1 3 386.412 0.520 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1cnn(C)c1C ZINC000821689962 606838187 /nfs/dbraw/zinc/83/81/87/606838187.db2.gz UBOCSYMHXGDYMB-UHFFFAOYSA-N -1 3 398.427 0.522 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1cnn(C)c1C ZINC000821689962 606838188 /nfs/dbraw/zinc/83/81/88/606838188.db2.gz UBOCSYMHXGDYMB-UHFFFAOYSA-N -1 3 398.427 0.522 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823337428 606838556 /nfs/dbraw/zinc/83/85/56/606838556.db2.gz LWAAXHIIFYUJFC-KGLIPLIRSA-N -1 3 390.375 0.351 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823337428 606838558 /nfs/dbraw/zinc/83/85/58/606838558.db2.gz LWAAXHIIFYUJFC-KGLIPLIRSA-N -1 3 390.375 0.351 20 0 GCADHM CC1(C)C(=O)N(CCCOc2cccc(-c3nnn[n-]3)c2)C(=O)N1CC(N)=O ZINC000820578259 606838827 /nfs/dbraw/zinc/83/88/27/606838827.db2.gz ZPGYTGQJRBDXSW-UHFFFAOYSA-N -1 3 387.400 0.164 20 0 GCADHM CC1(C)C(=O)N(CCCOc2cccc(-c3nn[n-]n3)c2)C(=O)N1CC(N)=O ZINC000820578259 606838829 /nfs/dbraw/zinc/83/88/29/606838829.db2.gz ZPGYTGQJRBDXSW-UHFFFAOYSA-N -1 3 387.400 0.164 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN(c2ncccn2)CC1 ZINC000823605964 606841473 /nfs/dbraw/zinc/84/14/73/606841473.db2.gz DRUOFVXDODWBLO-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1)C1CC1 ZINC000823155639 606842763 /nfs/dbraw/zinc/84/27/63/606842763.db2.gz VOQVYQIJRSSKFB-UHFFFAOYSA-N -1 3 394.432 0.685 20 0 GCADHM O=C1NCCN1C1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823546357 606842807 /nfs/dbraw/zinc/84/28/07/606842807.db2.gz BUMJTEGZTMXMBU-UHFFFAOYSA-N -1 3 395.420 0.184 20 0 GCADHM COCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@@H]1C ZINC000821691501 606843905 /nfs/dbraw/zinc/84/39/05/606843905.db2.gz WVKJSPOLTYHLQB-NSHDSACASA-N -1 3 384.437 0.347 20 0 GCADHM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000821160368 606844083 /nfs/dbraw/zinc/84/40/83/606844083.db2.gz JSBSDAQBSZTYBV-VIFPVBQESA-N -1 3 391.450 0.450 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820733350 606848216 /nfs/dbraw/zinc/84/82/16/606848216.db2.gz FPCKOPXZYVHTIO-ABAIWWIYSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820733350 606848218 /nfs/dbraw/zinc/84/82/18/606848218.db2.gz FPCKOPXZYVHTIO-ABAIWWIYSA-N -1 3 390.469 0.792 20 0 GCADHM CC[C@H](C)NC(=O)CN1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820877029 606850438 /nfs/dbraw/zinc/85/04/38/606850438.db2.gz YGIUUQQRFKCIGD-YOEHRIQHSA-N -1 3 387.488 0.432 20 0 GCADHM CC[C@H](C)NC(=O)CN1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820877028 606850471 /nfs/dbraw/zinc/85/04/71/606850471.db2.gz YGIUUQQRFKCIGD-WMLDXEAASA-N -1 3 387.488 0.432 20 0 GCADHM CC[C@@H](C)NC(=O)CN1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820877026 606850508 /nfs/dbraw/zinc/85/05/08/606850508.db2.gz YGIUUQQRFKCIGD-PBHICJAKSA-N -1 3 387.488 0.432 20 0 GCADHM CC(C)COC[C@H](O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820103452 606853026 /nfs/dbraw/zinc/85/30/26/606853026.db2.gz ZZYAJSCQACNYBF-ZIAGYGMSSA-N -1 3 376.465 0.201 20 0 GCADHM Cn1cccc1C(=O)N1CCN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822688931 606854721 /nfs/dbraw/zinc/85/47/21/606854721.db2.gz DZNLYJBJVOKRPQ-QGZVFWFLSA-N -1 3 381.440 0.697 20 0 GCADHM Cn1cccc1C(=O)N1CCN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822688931 606854722 /nfs/dbraw/zinc/85/47/22/606854722.db2.gz DZNLYJBJVOKRPQ-QGZVFWFLSA-N -1 3 381.440 0.697 20 0 GCADHM COc1ccnc(N2CCN(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000821904157 606859285 /nfs/dbraw/zinc/85/92/85/606859285.db2.gz RULQDIPRFUGPQP-OAHLLOKOSA-N -1 3 382.428 0.521 20 0 GCADHM CSc1nn(C)c2ncn(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)c(=O)c12 ZINC000821989957 606861783 /nfs/dbraw/zinc/86/17/83/606861783.db2.gz OMBJHOFVNBEBIJ-NSHDSACASA-N -1 3 384.425 0.766 20 0 GCADHM CSc1nn(C)c2ncn(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)c(=O)c12 ZINC000821989957 606861785 /nfs/dbraw/zinc/86/17/85/606861785.db2.gz OMBJHOFVNBEBIJ-NSHDSACASA-N -1 3 384.425 0.766 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822674334 606862589 /nfs/dbraw/zinc/86/25/89/606862589.db2.gz QQVZNEPUVHIHCI-HUUCEWRRSA-N -1 3 381.396 0.251 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674334 606862591 /nfs/dbraw/zinc/86/25/91/606862591.db2.gz QQVZNEPUVHIHCI-HUUCEWRRSA-N -1 3 381.396 0.251 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696903 606863070 /nfs/dbraw/zinc/86/30/70/606863070.db2.gz TZXLHOCVIUGMJA-ZDUSSCGKSA-N -1 3 383.416 0.419 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)NCc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696903 606863072 /nfs/dbraw/zinc/86/30/72/606863072.db2.gz TZXLHOCVIUGMJA-ZDUSSCGKSA-N -1 3 383.416 0.419 20 0 GCADHM CCCCn1nnnc1CS(=O)(=O)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821082113 606863423 /nfs/dbraw/zinc/86/34/23/606863423.db2.gz GMIHNQZWXBQFMJ-ZDUSSCGKSA-N -1 3 392.445 0.302 20 0 GCADHM CCCCn1nnnc1CS(=O)(=O)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821082113 606863424 /nfs/dbraw/zinc/86/34/24/606863424.db2.gz GMIHNQZWXBQFMJ-ZDUSSCGKSA-N -1 3 392.445 0.302 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CCN2C1=O ZINC000821240791 606864496 /nfs/dbraw/zinc/86/44/96/606864496.db2.gz JDZWHJHIZWEFIH-FZMZJTMJSA-N -1 3 398.427 0.606 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)CCN2C1=O ZINC000821240791 606864497 /nfs/dbraw/zinc/86/44/97/606864497.db2.gz JDZWHJHIZWEFIH-FZMZJTMJSA-N -1 3 398.427 0.606 20 0 GCADHM O=C(CNc1ccc2c(c1)S(=O)(=O)CC2)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823014104 606867324 /nfs/dbraw/zinc/86/73/24/606867324.db2.gz FTLDFBAFWWQOCK-UHFFFAOYSA-N -1 3 398.448 0.925 20 0 GCADHM O=C(CNc1ccc2c(c1)S(=O)(=O)CC2)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823014104 606867326 /nfs/dbraw/zinc/86/73/26/606867326.db2.gz FTLDFBAFWWQOCK-UHFFFAOYSA-N -1 3 398.448 0.925 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CCN2C1=O ZINC000821241243 606871473 /nfs/dbraw/zinc/87/14/73/606871473.db2.gz LAHVLQRXEBNOOD-FZMZJTMJSA-N -1 3 398.427 0.606 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CCN2C1=O ZINC000821241243 606871476 /nfs/dbraw/zinc/87/14/76/606871476.db2.gz LAHVLQRXEBNOOD-FZMZJTMJSA-N -1 3 398.427 0.606 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(c3cccs3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895172 606875918 /nfs/dbraw/zinc/87/59/18/606875918.db2.gz MTNWKUMGOZDYAX-UHFFFAOYSA-N -1 3 391.482 0.902 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(c3cccs3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895172 606875919 /nfs/dbraw/zinc/87/59/19/606875919.db2.gz MTNWKUMGOZDYAX-UHFFFAOYSA-N -1 3 391.482 0.902 20 0 GCADHM C[C@H](CN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)CS(C)(=O)=O ZINC000820262080 606878511 /nfs/dbraw/zinc/87/85/11/606878511.db2.gz RPICPQOGZZUGRY-GFCCVEGCSA-N -1 3 382.465 0.809 20 0 GCADHM C[C@H](CN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)CS(C)(=O)=O ZINC000820262080 606878513 /nfs/dbraw/zinc/87/85/13/606878513.db2.gz RPICPQOGZZUGRY-GFCCVEGCSA-N -1 3 382.465 0.809 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@H](Oc3ccccn3)C2)c(-c2nnn[n-]2)c1 ZINC000822895396 606879001 /nfs/dbraw/zinc/87/90/01/606879001.db2.gz QORCNCPTOAYOBR-LLVKDONJSA-N -1 3 387.425 0.567 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@H](Oc3ccccn3)C2)c(-c2nn[n-]n2)c1 ZINC000822895396 606879002 /nfs/dbraw/zinc/87/90/02/606879002.db2.gz QORCNCPTOAYOBR-LLVKDONJSA-N -1 3 387.425 0.567 20 0 GCADHM CC(=O)N1CCCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000819797207 606884219 /nfs/dbraw/zinc/88/42/19/606884219.db2.gz VGHKCGKRMPROET-UHFFFAOYSA-N -1 3 386.384 0.388 20 0 GCADHM CC(=O)N1CCCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000819797207 606884221 /nfs/dbraw/zinc/88/42/21/606884221.db2.gz VGHKCGKRMPROET-UHFFFAOYSA-N -1 3 386.384 0.388 20 0 GCADHM O=C([C@@H]1CCCO1)N1CCN(CCCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822917326 606885768 /nfs/dbraw/zinc/88/57/68/606885768.db2.gz SOKWBHYWJQSIDO-KRWDZBQOSA-N -1 3 386.456 0.959 20 0 GCADHM O=C([C@@H]1CCCO1)N1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822917326 606885769 /nfs/dbraw/zinc/88/57/69/606885769.db2.gz SOKWBHYWJQSIDO-KRWDZBQOSA-N -1 3 386.456 0.959 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820684224 606886042 /nfs/dbraw/zinc/88/60/42/606886042.db2.gz NMGVGWHEIJDPPA-HTQZYQBOSA-N -1 3 386.384 0.419 20 0 GCADHM C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820684224 606886043 /nfs/dbraw/zinc/88/60/43/606886043.db2.gz NMGVGWHEIJDPPA-HTQZYQBOSA-N -1 3 386.384 0.419 20 0 GCADHM COC(=O)CN(C(C)C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821661806 606887040 /nfs/dbraw/zinc/88/70/40/606887040.db2.gz ZHMZDRKPEKLIGP-UHFFFAOYSA-N -1 3 375.357 0.717 20 0 GCADHM COC(=O)CN(C(C)C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821661806 606887042 /nfs/dbraw/zinc/88/70/42/606887042.db2.gz ZHMZDRKPEKLIGP-UHFFFAOYSA-N -1 3 375.357 0.717 20 0 GCADHM COC(=O)C(C)(C)N(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821638799 606890174 /nfs/dbraw/zinc/89/01/74/606890174.db2.gz IHLWXOSAGASDTQ-UHFFFAOYSA-N -1 3 375.357 0.717 20 0 GCADHM COC(=O)C(C)(C)N(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821638799 606890176 /nfs/dbraw/zinc/89/01/76/606890176.db2.gz IHLWXOSAGASDTQ-UHFFFAOYSA-N -1 3 375.357 0.717 20 0 GCADHM O=S(=O)([N-][C@H]1CCN(CC2CC2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573304 606890994 /nfs/dbraw/zinc/89/09/94/606890994.db2.gz UEOXMOIZZYOOEH-NSHDSACASA-N -1 3 384.412 0.908 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCc2cncnc2C1 ZINC000823594229 606891286 /nfs/dbraw/zinc/89/12/86/606891286.db2.gz DWAYNNFBJPLRCA-UHFFFAOYSA-N -1 3 379.352 0.682 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCc2cncnc2C1 ZINC000823594229 606891287 /nfs/dbraw/zinc/89/12/87/606891287.db2.gz DWAYNNFBJPLRCA-UHFFFAOYSA-N -1 3 379.352 0.682 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C[C@@H]1C ZINC000821657894 606895304 /nfs/dbraw/zinc/89/53/04/606895304.db2.gz YKYBJQABFVWTMH-CBAPKCEASA-N -1 3 387.368 0.575 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C[C@@H]1C ZINC000821657894 606895305 /nfs/dbraw/zinc/89/53/05/606895305.db2.gz YKYBJQABFVWTMH-CBAPKCEASA-N -1 3 387.368 0.575 20 0 GCADHM CN1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C(C)(C)C1=O ZINC000821629105 606895590 /nfs/dbraw/zinc/89/55/90/606895590.db2.gz YSFABPPSYREYAO-UHFFFAOYSA-N -1 3 386.384 0.386 20 0 GCADHM CN1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C(C)(C)C1=O ZINC000821629105 606895592 /nfs/dbraw/zinc/89/55/92/606895592.db2.gz YSFABPPSYREYAO-UHFFFAOYSA-N -1 3 386.384 0.386 20 0 GCADHM CCS(=O)(=O)NCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821441665 606901580 /nfs/dbraw/zinc/90/15/80/606901580.db2.gz NBGLQHAZKZEEAL-UHFFFAOYSA-N -1 3 393.347 0.982 20 0 GCADHM CCS(=O)(=O)NCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821441665 606901581 /nfs/dbraw/zinc/90/15/81/606901581.db2.gz NBGLQHAZKZEEAL-UHFFFAOYSA-N -1 3 393.347 0.982 20 0 GCADHM O=C(COC(=O)[C@@H]1CCCc2n[nH]cc21)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823018692 606903272 /nfs/dbraw/zinc/90/32/72/606903272.db2.gz WPZAZDBBPFULKG-CYBMUJFWSA-N -1 3 381.396 0.869 20 0 GCADHM CN(C[C@@H]1CN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1)c1cccnn1 ZINC000821598090 606905547 /nfs/dbraw/zinc/90/55/47/606905547.db2.gz QKLCMFDUZPHLQK-SJORKVTESA-N -1 3 396.455 0.527 20 0 GCADHM Cn1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000822684945 606906512 /nfs/dbraw/zinc/90/65/12/606906512.db2.gz NJTWGLHTBYCFAV-GOSISDBHSA-N -1 3 379.380 0.855 20 0 GCADHM Cn1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000822684945 606906513 /nfs/dbraw/zinc/90/65/13/606906513.db2.gz NJTWGLHTBYCFAV-GOSISDBHSA-N -1 3 379.380 0.855 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N1CCN2C(=O)NC[C@H]2C1 ZINC000823299401 606906722 /nfs/dbraw/zinc/90/67/22/606906722.db2.gz VSGDAMIMXUXWNL-VIFPVBQESA-N -1 3 394.342 0.709 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCN2C(=O)NC[C@H]2C1 ZINC000823299401 606906723 /nfs/dbraw/zinc/90/67/23/606906723.db2.gz VSGDAMIMXUXWNL-VIFPVBQESA-N -1 3 394.342 0.709 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823488650 606907606 /nfs/dbraw/zinc/90/76/06/606907606.db2.gz RCIDRNXCJHMCSE-UHFFFAOYSA-N -1 3 391.395 0.988 20 0 GCADHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O ZINC000820629231 606907615 /nfs/dbraw/zinc/90/76/15/606907615.db2.gz VKOJTZMSBMHOFQ-AWEZNQCLSA-N -1 3 397.317 0.312 20 0 GCADHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O ZINC000820629231 606907616 /nfs/dbraw/zinc/90/76/16/606907616.db2.gz VKOJTZMSBMHOFQ-AWEZNQCLSA-N -1 3 397.317 0.312 20 0 GCADHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)NC2CCCC2)C1=O ZINC000820628730 606913923 /nfs/dbraw/zinc/91/39/23/606913923.db2.gz MKEGZWIEFRQVOY-SFHVURJKSA-N -1 3 383.412 0.693 20 0 GCADHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)NC2CCCC2)C1=O ZINC000820628730 606913924 /nfs/dbraw/zinc/91/39/24/606913924.db2.gz MKEGZWIEFRQVOY-SFHVURJKSA-N -1 3 383.412 0.693 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000819866184 606934104 /nfs/dbraw/zinc/93/41/04/606934104.db2.gz KJVUEGFKOHTDGJ-KOLCDFICSA-N -1 3 391.819 0.984 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000819866184 606934107 /nfs/dbraw/zinc/93/41/07/606934107.db2.gz KJVUEGFKOHTDGJ-KOLCDFICSA-N -1 3 391.819 0.984 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000819866187 606934376 /nfs/dbraw/zinc/93/43/76/606934376.db2.gz KJVUEGFKOHTDGJ-ONGXEEELSA-N -1 3 391.819 0.984 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000819866187 606934378 /nfs/dbraw/zinc/93/43/78/606934378.db2.gz KJVUEGFKOHTDGJ-ONGXEEELSA-N -1 3 391.819 0.984 20 0 GCADHM O=C(CCN1CCN2C(=O)OC[C@H]2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822969110 606935387 /nfs/dbraw/zinc/93/53/87/606935387.db2.gz HWISSNIHPKLBER-LLVKDONJSA-N -1 3 391.819 0.985 20 0 GCADHM O=C(CCN1CCN2C(=O)OC[C@H]2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822969110 606935388 /nfs/dbraw/zinc/93/53/88/606935388.db2.gz HWISSNIHPKLBER-LLVKDONJSA-N -1 3 391.819 0.985 20 0 GCADHM CCc1nnc(N2CCN(c3nccn(C)c3=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000821527398 606940128 /nfs/dbraw/zinc/94/01/28/606940128.db2.gz DPBAHDHZQMAZNR-UHFFFAOYSA-N -1 3 396.459 0.202 20 0 GCADHM CCc1nnc(N2CCN(c3nccn(C)c3=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000821527398 606940129 /nfs/dbraw/zinc/94/01/29/606940129.db2.gz DPBAHDHZQMAZNR-UHFFFAOYSA-N -1 3 396.459 0.202 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]2CCCC[C@H]2N1 ZINC000823536007 606943838 /nfs/dbraw/zinc/94/38/38/606943838.db2.gz OTMFLYLXNGVSEV-KGLIPLIRSA-N -1 3 376.442 0.440 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]2CCCC[C@H]2N1 ZINC000823536007 606943839 /nfs/dbraw/zinc/94/38/39/606943839.db2.gz OTMFLYLXNGVSEV-KGLIPLIRSA-N -1 3 376.442 0.440 20 0 GCADHM CCc1nnc(N[C@H]2CCc3nc(COC)nn3C2)c(-c2nnn[n-]2)c1CC ZINC000821528857 606944417 /nfs/dbraw/zinc/94/44/17/606944417.db2.gz SENVTKZMCXIGGE-JTQLQIEISA-N -1 3 384.448 0.946 20 0 GCADHM CCc1nnc(N[C@H]2CCc3nc(COC)nn3C2)c(-c2nn[n-]n2)c1CC ZINC000821528857 606944418 /nfs/dbraw/zinc/94/44/18/606944418.db2.gz SENVTKZMCXIGGE-JTQLQIEISA-N -1 3 384.448 0.946 20 0 GCADHM CCc1nnc(N[C@@H]2CCc3nc(COC)nn3C2)c(-c2nnn[n-]2)c1CC ZINC000821528858 606944464 /nfs/dbraw/zinc/94/44/64/606944464.db2.gz SENVTKZMCXIGGE-SNVBAGLBSA-N -1 3 384.448 0.946 20 0 GCADHM CCc1nnc(N[C@@H]2CCc3nc(COC)nn3C2)c(-c2nn[n-]n2)c1CC ZINC000821528858 606944465 /nfs/dbraw/zinc/94/44/65/606944465.db2.gz SENVTKZMCXIGGE-SNVBAGLBSA-N -1 3 384.448 0.946 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N1CCN(CCO)CC1 ZINC000823299376 606954356 /nfs/dbraw/zinc/95/43/56/606954356.db2.gz UVFNEKDBRIYFNX-UHFFFAOYSA-N -1 3 383.359 0.610 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000823308492 606965474 /nfs/dbraw/zinc/96/54/74/606965474.db2.gz BVWUKGQRXXDVRC-CVEARBPZSA-N -1 3 399.455 0.565 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000819796634 606965611 /nfs/dbraw/zinc/96/56/11/606965611.db2.gz MRLJVGLOVCGDGL-CXAGYDPISA-N -1 3 383.456 0.915 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000823289193 606966811 /nfs/dbraw/zinc/96/68/11/606966811.db2.gz FUHCZGBVXZEBAH-SECBINFHSA-N -1 3 391.775 0.122 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000823289193 606966813 /nfs/dbraw/zinc/96/68/13/606966813.db2.gz FUHCZGBVXZEBAH-SECBINFHSA-N -1 3 391.775 0.122 20 0 GCADHM O=C(NCc1cnn(CC(F)(F)F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823266534 606966974 /nfs/dbraw/zinc/96/69/74/606966974.db2.gz XLDBIIMEZJIQRR-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM O=C(NCc1cnn(CC(F)(F)F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823266534 606966976 /nfs/dbraw/zinc/96/69/76/606966976.db2.gz XLDBIIMEZJIQRR-UHFFFAOYSA-N -1 3 394.317 0.880 20 0 GCADHM NC(=O)c1cccnc1N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000822890618 606967631 /nfs/dbraw/zinc/96/76/31/606967631.db2.gz ZWKPBGXSJMQPQO-UHFFFAOYSA-N -1 3 382.403 0.822 20 0 GCADHM NC(=O)c1cccnc1N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822890618 606967633 /nfs/dbraw/zinc/96/76/33/606967633.db2.gz ZWKPBGXSJMQPQO-UHFFFAOYSA-N -1 3 382.403 0.822 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823358586 606967656 /nfs/dbraw/zinc/96/76/56/606967656.db2.gz BGKLKTQFLKLWEK-CQSZACIVSA-N -1 3 379.380 0.880 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000823358586 606967658 /nfs/dbraw/zinc/96/76/58/606967658.db2.gz BGKLKTQFLKLWEK-CQSZACIVSA-N -1 3 379.380 0.880 20 0 GCADHM C[C@H](CNC(=O)NCCNc1ncccc1-c1nnn[n-]1)CC1(C)OCCO1 ZINC000820260842 606969506 /nfs/dbraw/zinc/96/95/06/606969506.db2.gz JYNPNBGCYGWSRC-LBPRGKRZSA-N -1 3 390.448 0.762 20 0 GCADHM C[C@H](CNC(=O)NCCNc1ncccc1-c1nn[n-]n1)CC1(C)OCCO1 ZINC000820260842 606969507 /nfs/dbraw/zinc/96/95/07/606969507.db2.gz JYNPNBGCYGWSRC-LBPRGKRZSA-N -1 3 390.448 0.762 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2-c2nnn[n-]2)CC1 ZINC000821440815 606970923 /nfs/dbraw/zinc/97/09/23/606970923.db2.gz CNYCCBJKVKVNAB-UHFFFAOYSA-N -1 3 378.458 0.891 20 0 GCADHM CCS(=O)(=O)N1CCC(C(=O)N(C)c2ccccc2-c2nn[n-]n2)CC1 ZINC000821440815 606970925 /nfs/dbraw/zinc/97/09/25/606970925.db2.gz CNYCCBJKVKVNAB-UHFFFAOYSA-N -1 3 378.458 0.891 20 0 GCADHM CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccccc1-c1nnn[n-]1 ZINC000821569540 606973105 /nfs/dbraw/zinc/97/31/05/606973105.db2.gz NOCFALXGXCXUSO-MRXNPFEDSA-N -1 3 390.407 0.950 20 0 GCADHM CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccccc1-c1nn[n-]n1 ZINC000821569540 606973106 /nfs/dbraw/zinc/97/31/06/606973106.db2.gz NOCFALXGXCXUSO-MRXNPFEDSA-N -1 3 390.407 0.950 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCCCC1 ZINC000820446913 606974516 /nfs/dbraw/zinc/97/45/16/606974516.db2.gz XRIVGMYDUKXIEE-GFCCVEGCSA-N -1 3 378.458 0.936 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCCCC1 ZINC000820446913 606974518 /nfs/dbraw/zinc/97/45/18/606974518.db2.gz XRIVGMYDUKXIEE-GFCCVEGCSA-N -1 3 378.458 0.936 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccn1 ZINC000820443950 606976392 /nfs/dbraw/zinc/97/63/92/606976392.db2.gz BVAOZIDPIBAVRR-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccn1 ZINC000820443950 606976393 /nfs/dbraw/zinc/97/63/93/606976393.db2.gz BVAOZIDPIBAVRR-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000821700702 606982639 /nfs/dbraw/zinc/98/26/39/606982639.db2.gz VHKFTDZVCIOMNP-OLZOCXBDSA-N -1 3 386.412 0.524 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000821700702 606982640 /nfs/dbraw/zinc/98/26/40/606982640.db2.gz VHKFTDZVCIOMNP-OLZOCXBDSA-N -1 3 386.412 0.524 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000821700704 606982681 /nfs/dbraw/zinc/98/26/81/606982681.db2.gz VHKFTDZVCIOMNP-STQMWFEESA-N -1 3 386.412 0.524 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000821700704 606982682 /nfs/dbraw/zinc/98/26/82/606982682.db2.gz VHKFTDZVCIOMNP-STQMWFEESA-N -1 3 386.412 0.524 20 0 GCADHM COCCc1noc(CN(C)[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)n1 ZINC000821694502 606983588 /nfs/dbraw/zinc/98/35/88/606983588.db2.gz PSMKMTLJHMDGHE-NSHDSACASA-N -1 3 386.416 0.898 20 0 GCADHM COCCc1noc(CN(C)[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)n1 ZINC000821694502 606983590 /nfs/dbraw/zinc/98/35/90/606983590.db2.gz PSMKMTLJHMDGHE-NSHDSACASA-N -1 3 386.416 0.898 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000822206967 606985725 /nfs/dbraw/zinc/98/57/25/606985725.db2.gz GKHSKILOCPTWBX-SECBINFHSA-N -1 3 377.386 0.469 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000822206967 606985728 /nfs/dbraw/zinc/98/57/28/606985728.db2.gz GKHSKILOCPTWBX-SECBINFHSA-N -1 3 377.386 0.469 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000823303844 606986261 /nfs/dbraw/zinc/98/62/61/606986261.db2.gz WYGHIURWQLYAFN-JTQLQIEISA-N -1 3 386.803 0.855 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000823303844 606986262 /nfs/dbraw/zinc/98/62/62/606986262.db2.gz WYGHIURWQLYAFN-JTQLQIEISA-N -1 3 386.803 0.855 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[C@H]1CCCO1 ZINC000820446270 606990077 /nfs/dbraw/zinc/99/00/77/606990077.db2.gz TYJDJJPGEVMANQ-DGCLKSJQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[C@H]1CCCO1 ZINC000820446270 606990078 /nfs/dbraw/zinc/99/00/78/606990078.db2.gz TYJDJJPGEVMANQ-DGCLKSJQSA-N -1 3 394.457 0.219 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCC(=O)N1CCOCC1 ZINC000819997360 606990112 /nfs/dbraw/zinc/99/01/12/606990112.db2.gz UGYGCTJGOJTTDH-UHFFFAOYSA-N -1 3 388.428 0.389 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCC(=O)N1CCOCC1 ZINC000819997360 606990113 /nfs/dbraw/zinc/99/01/13/606990113.db2.gz UGYGCTJGOJTTDH-UHFFFAOYSA-N -1 3 388.428 0.389 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@H](C)C1CC1 ZINC000820445476 606995120 /nfs/dbraw/zinc/99/51/20/606995120.db2.gz QLHIOZGFQWCHJK-GHMZBOCLSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@H](C)C1CC1 ZINC000820445476 606995122 /nfs/dbraw/zinc/99/51/22/606995122.db2.gz QLHIOZGFQWCHJK-GHMZBOCLSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccsc1 ZINC000820444000 606995247 /nfs/dbraw/zinc/99/52/47/606995247.db2.gz DBIYQOGLEQEELW-SNVBAGLBSA-N -1 3 392.466 0.911 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccsc1 ZINC000820444000 606995249 /nfs/dbraw/zinc/99/52/49/606995249.db2.gz DBIYQOGLEQEELW-SNVBAGLBSA-N -1 3 392.466 0.911 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H](C)C1CC1 ZINC000820437802 606995349 /nfs/dbraw/zinc/99/53/49/606995349.db2.gz CWLOWZTWGUOSQL-QWRGUYRKSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H](C)C1CC1 ZINC000820437802 606995350 /nfs/dbraw/zinc/99/53/50/606995350.db2.gz CWLOWZTWGUOSQL-QWRGUYRKSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)n1cccn1 ZINC000819855799 606996215 /nfs/dbraw/zinc/99/62/15/606996215.db2.gz FQWPSCYEHALGFJ-LLVKDONJSA-N -1 3 387.375 0.965 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)n1cccn1 ZINC000819855799 606996217 /nfs/dbraw/zinc/99/62/17/606996217.db2.gz FQWPSCYEHALGFJ-LLVKDONJSA-N -1 3 387.375 0.965 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1nccs1 ZINC000820446376 606998302 /nfs/dbraw/zinc/99/83/02/606998302.db2.gz VOYCONMRGYZXII-SECBINFHSA-N -1 3 393.454 0.306 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1nccs1 ZINC000820446376 606998304 /nfs/dbraw/zinc/99/83/04/606998304.db2.gz VOYCONMRGYZXII-SECBINFHSA-N -1 3 393.454 0.306 20 0 GCADHM Cc1ccnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822374223 606998618 /nfs/dbraw/zinc/99/86/18/606998618.db2.gz MQNQSLKXPMYSIW-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822374223 606998620 /nfs/dbraw/zinc/99/86/20/606998620.db2.gz MQNQSLKXPMYSIW-NSHDSACASA-N -1 3 387.425 0.876 20 0 GCADHM Cn1c2ccncc2n(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1=O ZINC000822596443 606998673 /nfs/dbraw/zinc/99/86/73/606998673.db2.gz JRQBPMHVSNKXJX-UHFFFAOYSA-N -1 3 392.427 0.090 20 0 GCADHM Cn1c2ccncc2n(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1=O ZINC000822596443 606998674 /nfs/dbraw/zinc/99/86/74/606998674.db2.gz JRQBPMHVSNKXJX-UHFFFAOYSA-N -1 3 392.427 0.090 20 0 GCADHM COCC(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821680537 606998863 /nfs/dbraw/zinc/99/88/63/606998863.db2.gz LXPGKKIWQMWMHK-UHFFFAOYSA-N -1 3 388.428 0.341 20 0 GCADHM COCC(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821680537 606998864 /nfs/dbraw/zinc/99/88/64/606998864.db2.gz LXPGKKIWQMWMHK-UHFFFAOYSA-N -1 3 388.428 0.341 20 0 GCADHM Cc1cccnc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822370287 606998907 /nfs/dbraw/zinc/99/89/07/606998907.db2.gz VQGLVMVJAHFPEH-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1cccnc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822370287 606998909 /nfs/dbraw/zinc/99/89/09/606998909.db2.gz VQGLVMVJAHFPEH-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1occc1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822553079 607001563 /nfs/dbraw/zinc/00/15/63/607001563.db2.gz IFXXDMZYWTUTHZ-SNVBAGLBSA-N -1 3 390.425 0.751 20 0 GCADHM Cc1occc1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822553079 607001566 /nfs/dbraw/zinc/00/15/66/607001566.db2.gz IFXXDMZYWTUTHZ-SNVBAGLBSA-N -1 3 390.425 0.751 20 0 GCADHM C[C@H]1OCCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)[C@H]1C ZINC000820821963 607001673 /nfs/dbraw/zinc/00/16/73/607001673.db2.gz WQLVWWNJKYCLBT-QWHCGFSZSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@H]1OCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)[C@H]1C ZINC000820821963 607001674 /nfs/dbraw/zinc/00/16/74/607001674.db2.gz WQLVWWNJKYCLBT-QWHCGFSZSA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1OCCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)[C@H]1C ZINC000820821964 607001702 /nfs/dbraw/zinc/00/17/02/607001702.db2.gz WQLVWWNJKYCLBT-STQMWFEESA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H]1OCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)[C@H]1C ZINC000820821964 607001704 /nfs/dbraw/zinc/00/17/04/607001704.db2.gz WQLVWWNJKYCLBT-STQMWFEESA-N -1 3 385.428 0.698 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)C1CC1 ZINC000820452072 607001863 /nfs/dbraw/zinc/00/18/63/607001863.db2.gz YXSVVUROHJMZHP-GHMZBOCLSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)C1CC1 ZINC000820452072 607001865 /nfs/dbraw/zinc/00/18/65/607001865.db2.gz YXSVVUROHJMZHP-GHMZBOCLSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820452074 607002016 /nfs/dbraw/zinc/00/20/16/607002016.db2.gz YXSVVUROHJMZHP-QWRGUYRKSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820452074 607002017 /nfs/dbraw/zinc/00/20/17/607002017.db2.gz YXSVVUROHJMZHP-QWRGUYRKSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCCCO1 ZINC000820446018 607002112 /nfs/dbraw/zinc/00/21/12/607002112.db2.gz SXRSXURJKYXACK-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCCO1 ZINC000820446018 607002113 /nfs/dbraw/zinc/00/21/13/607002113.db2.gz SXRSXURJKYXACK-YPMHNXCESA-N -1 3 394.457 0.219 20 0 GCADHM CCCN(C)S(=O)(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821087804 607003685 /nfs/dbraw/zinc/00/36/85/607003685.db2.gz GJBJVWUYFQWTBL-UHFFFAOYSA-N -1 3 380.478 0.407 20 0 GCADHM CCCN(C)S(=O)(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821087804 607003687 /nfs/dbraw/zinc/00/36/87/607003687.db2.gz GJBJVWUYFQWTBL-UHFFFAOYSA-N -1 3 380.478 0.407 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822491950 607003857 /nfs/dbraw/zinc/00/38/57/607003857.db2.gz KSIWYHIFQUNFFZ-OAHLLOKOSA-N -1 3 385.384 0.366 20 0 GCADHM Cc1nn(C)c(C)c1OCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822491950 607003859 /nfs/dbraw/zinc/00/38/59/607003859.db2.gz KSIWYHIFQUNFFZ-OAHLLOKOSA-N -1 3 385.384 0.366 20 0 GCADHM O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823572199 607006944 /nfs/dbraw/zinc/00/69/44/607006944.db2.gz DNOLVSAJSKTWON-VIFPVBQESA-N -1 3 391.862 0.376 20 0 GCADHM O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823572199 607006947 /nfs/dbraw/zinc/00/69/47/607006947.db2.gz DNOLVSAJSKTWON-VIFPVBQESA-N -1 3 391.862 0.376 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[S@](C)=O ZINC000820242981 607007242 /nfs/dbraw/zinc/00/72/42/607007242.db2.gz SAWDXJKZUGGEEJ-ZCAPAMDOSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[S@](C)=O ZINC000820242981 607007244 /nfs/dbraw/zinc/00/72/44/607007244.db2.gz SAWDXJKZUGGEEJ-ZCAPAMDOSA-N -1 3 377.879 0.956 20 0 GCADHM Cc1noc(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822523004 607011507 /nfs/dbraw/zinc/01/15/07/607011507.db2.gz NSKFDCGZYVOJRS-SECBINFHSA-N -1 3 391.413 0.777 20 0 GCADHM Cc1noc(C)c1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822523004 607011509 /nfs/dbraw/zinc/01/15/09/607011509.db2.gz NSKFDCGZYVOJRS-SECBINFHSA-N -1 3 391.413 0.777 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000821592805 607015291 /nfs/dbraw/zinc/01/52/91/607015291.db2.gz WHTPANCNKHZSSN-UHFFFAOYSA-N -1 3 376.442 0.276 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000821592805 607015292 /nfs/dbraw/zinc/01/52/92/607015292.db2.gz WHTPANCNKHZSSN-UHFFFAOYSA-N -1 3 376.442 0.276 20 0 GCADHM O=C(CNC(=O)c1cccnc1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823160678 607020654 /nfs/dbraw/zinc/02/06/54/607020654.db2.gz DYBBGEXOCLPSLU-UHFFFAOYSA-N -1 3 392.423 0.340 20 0 GCADHM O=C(CNC(=O)c1cccnc1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823160678 607020656 /nfs/dbraw/zinc/02/06/56/607020656.db2.gz DYBBGEXOCLPSLU-UHFFFAOYSA-N -1 3 392.423 0.340 20 0 GCADHM CC[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820981521 607021385 /nfs/dbraw/zinc/02/13/85/607021385.db2.gz SEGDBFKZHFHUDF-YPMHNXCESA-N -1 3 378.458 0.935 20 0 GCADHM CC[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820981521 607021387 /nfs/dbraw/zinc/02/13/87/607021387.db2.gz SEGDBFKZHFHUDF-YPMHNXCESA-N -1 3 378.458 0.935 20 0 GCADHM CC[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820981519 607021431 /nfs/dbraw/zinc/02/14/31/607021431.db2.gz SEGDBFKZHFHUDF-DGCLKSJQSA-N -1 3 378.458 0.935 20 0 GCADHM CC[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820981519 607021432 /nfs/dbraw/zinc/02/14/32/607021432.db2.gz SEGDBFKZHFHUDF-DGCLKSJQSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@H]1C ZINC000820438498 607022283 /nfs/dbraw/zinc/02/22/83/607022283.db2.gz QUMVKVKYYKDFRC-SUNKGSAMSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@H]1C ZINC000820438498 607022285 /nfs/dbraw/zinc/02/22/85/607022285.db2.gz QUMVKVKYYKDFRC-SUNKGSAMSA-N -1 3 378.458 0.838 20 0 GCADHM Cc1ccncc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822380008 607022871 /nfs/dbraw/zinc/02/28/71/607022871.db2.gz YLXNCPRUYGRTRH-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM Cc1ccncc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822380008 607022872 /nfs/dbraw/zinc/02/28/72/607022872.db2.gz YLXNCPRUYGRTRH-LLVKDONJSA-N -1 3 387.425 0.876 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCS[C@H](C)C1 ZINC000820734395 607022926 /nfs/dbraw/zinc/02/29/26/607022926.db2.gz MPJCKNXZQIXRIO-MNOVXSKESA-N -1 3 396.498 0.497 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS[C@H](C)C1 ZINC000820734395 607022928 /nfs/dbraw/zinc/02/29/28/607022928.db2.gz MPJCKNXZQIXRIO-MNOVXSKESA-N -1 3 396.498 0.497 20 0 GCADHM Cc1cnccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822399257 607023000 /nfs/dbraw/zinc/02/30/00/607023000.db2.gz DLNCLONPOTUDCY-NSHDSACASA-N -1 3 387.425 0.298 20 0 GCADHM Cc1cnccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822399257 607023002 /nfs/dbraw/zinc/02/30/02/607023002.db2.gz DLNCLONPOTUDCY-NSHDSACASA-N -1 3 387.425 0.298 20 0 GCADHM CCOCCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821377844 607023278 /nfs/dbraw/zinc/02/32/78/607023278.db2.gz GCGCGKKUWAWNFL-GFCCVEGCSA-N -1 3 396.473 0.419 20 0 GCADHM CCOCCN(CC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821377844 607023279 /nfs/dbraw/zinc/02/32/79/607023279.db2.gz GCGCGKKUWAWNFL-GFCCVEGCSA-N -1 3 396.473 0.419 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821294034 607024294 /nfs/dbraw/zinc/02/42/94/607024294.db2.gz QFNNGCUNIYUHLM-UHFFFAOYSA-N -1 3 382.446 0.080 20 0 GCADHM CCNS(=O)(=O)CCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821294034 607024296 /nfs/dbraw/zinc/02/42/96/607024296.db2.gz QFNNGCUNIYUHLM-UHFFFAOYSA-N -1 3 382.446 0.080 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CC1(C)C ZINC000820443878 607025707 /nfs/dbraw/zinc/02/57/07/607025707.db2.gz AGPIAOMDBAEXOG-ZYHUDNBSSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC1(C)C ZINC000820443878 607025709 /nfs/dbraw/zinc/02/57/09/607025709.db2.gz AGPIAOMDBAEXOG-ZYHUDNBSSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CC1(C)C ZINC000820443876 607025986 /nfs/dbraw/zinc/02/59/86/607025986.db2.gz AGPIAOMDBAEXOG-JQWIXIFHSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CC1(C)C ZINC000820443876 607025988 /nfs/dbraw/zinc/02/59/88/607025988.db2.gz AGPIAOMDBAEXOG-JQWIXIFHSA-N -1 3 378.458 0.696 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000822207521 607026430 /nfs/dbraw/zinc/02/64/30/607026430.db2.gz YVDXFFSDNCBJAH-LLVKDONJSA-N -1 3 387.425 0.298 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000822207521 607026432 /nfs/dbraw/zinc/02/64/32/607026432.db2.gz YVDXFFSDNCBJAH-LLVKDONJSA-N -1 3 387.425 0.298 20 0 GCADHM CCN(C(=O)COc1cc(-c2nnn[n-]2)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000821154522 607029036 /nfs/dbraw/zinc/02/90/36/607029036.db2.gz OFMXJFLWFQSZIP-ZDUSSCGKSA-N -1 3 379.442 0.590 20 0 GCADHM CCN(C(=O)COc1cc(-c2nn[n-]n2)ccc1C)[C@H]1CCS(=O)(=O)C1 ZINC000821154522 607029038 /nfs/dbraw/zinc/02/90/38/607029038.db2.gz OFMXJFLWFQSZIP-ZDUSSCGKSA-N -1 3 379.442 0.590 20 0 GCADHM CC[C@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821001320 607036430 /nfs/dbraw/zinc/03/64/30/607036430.db2.gz PZCNHNMVQHUDNH-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821001320 607036432 /nfs/dbraw/zinc/03/64/32/607036432.db2.gz PZCNHNMVQHUDNH-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821000308 607036536 /nfs/dbraw/zinc/03/65/36/607036536.db2.gz CMORBOHTEZYISI-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821000308 607036537 /nfs/dbraw/zinc/03/65/37/607036537.db2.gz CMORBOHTEZYISI-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccn(CCC(N)=O)n1 ZINC000820001549 607037696 /nfs/dbraw/zinc/03/76/96/607037696.db2.gz RWVLLZIZMQDFDA-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CSCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821962627 607038357 /nfs/dbraw/zinc/03/83/57/607038357.db2.gz UEHGIZKMKKWLNW-SNVBAGLBSA-N -1 3 384.487 0.403 20 0 GCADHM CSCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821962627 607038358 /nfs/dbraw/zinc/03/83/58/607038358.db2.gz UEHGIZKMKKWLNW-SNVBAGLBSA-N -1 3 384.487 0.403 20 0 GCADHM CSCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821960785 607038381 /nfs/dbraw/zinc/03/83/81/607038381.db2.gz CWHHVNJXBJVNLG-LLVKDONJSA-N -1 3 398.514 0.793 20 0 GCADHM CSCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821960785 607038382 /nfs/dbraw/zinc/03/83/82/607038382.db2.gz CWHHVNJXBJVNLG-LLVKDONJSA-N -1 3 398.514 0.793 20 0 GCADHM CSCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821960603 607038615 /nfs/dbraw/zinc/03/86/15/607038615.db2.gz AUOQQLKCEOGHDJ-SNVBAGLBSA-N -1 3 384.487 0.403 20 0 GCADHM CSCCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821960603 607038617 /nfs/dbraw/zinc/03/86/17/607038617.db2.gz AUOQQLKCEOGHDJ-SNVBAGLBSA-N -1 3 384.487 0.403 20 0 GCADHM CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC000821149270 607039687 /nfs/dbraw/zinc/03/96/87/607039687.db2.gz UTKWSDITBWSNTD-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000821149270 607039689 /nfs/dbraw/zinc/03/96/89/607039689.db2.gz UTKWSDITBWSNTD-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM CSCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821962018 607040233 /nfs/dbraw/zinc/04/02/33/607040233.db2.gz NRNVXXQBFGICGT-GHMZBOCLSA-N -1 3 398.514 0.791 20 0 GCADHM CSCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821962018 607040234 /nfs/dbraw/zinc/04/02/34/607040234.db2.gz NRNVXXQBFGICGT-GHMZBOCLSA-N -1 3 398.514 0.791 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000820447020 607041870 /nfs/dbraw/zinc/04/18/70/607041870.db2.gz YEQIENQRUFGLID-JKOKRWQUSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000820447020 607041871 /nfs/dbraw/zinc/04/18/71/607041871.db2.gz YEQIENQRUFGLID-JKOKRWQUSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000820447027 607042087 /nfs/dbraw/zinc/04/20/87/607042087.db2.gz YEQIENQRUFGLID-VHRBIJSZSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000820447027 607042089 /nfs/dbraw/zinc/04/20/89/607042089.db2.gz YEQIENQRUFGLID-VHRBIJSZSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000820650554 607043079 /nfs/dbraw/zinc/04/30/79/607043079.db2.gz VRRGLBBHIINHFK-IJLUTSLNSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000820650554 607043081 /nfs/dbraw/zinc/04/30/81/607043081.db2.gz VRRGLBBHIINHFK-IJLUTSLNSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](O)C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820473863 607043107 /nfs/dbraw/zinc/04/31/07/607043107.db2.gz MZGCDNQFDSOKBN-SRVKXCTJSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@H](O)C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820473863 607043109 /nfs/dbraw/zinc/04/31/09/607043109.db2.gz MZGCDNQFDSOKBN-SRVKXCTJSA-N -1 3 396.473 0.057 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821325773 607043210 /nfs/dbraw/zinc/04/32/10/607043210.db2.gz MIRBTVYKINYZNC-AWEZNQCLSA-N -1 3 389.412 0.815 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821325773 607043212 /nfs/dbraw/zinc/04/32/12/607043212.db2.gz MIRBTVYKINYZNC-AWEZNQCLSA-N -1 3 389.412 0.815 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000820648707 607043236 /nfs/dbraw/zinc/04/32/36/607043236.db2.gz FVOBPQKPQWITHW-GRYCIOLGSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000820648707 607043238 /nfs/dbraw/zinc/04/32/38/607043238.db2.gz FVOBPQKPQWITHW-GRYCIOLGSA-N -1 3 378.458 0.790 20 0 GCADHM Cc1nn(C)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822497054 607043487 /nfs/dbraw/zinc/04/34/87/607043487.db2.gz XEMOXCFJUSBERQ-JTQLQIEISA-N -1 3 390.429 0.214 20 0 GCADHM Cc1nn(C)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822497054 607043489 /nfs/dbraw/zinc/04/34/89/607043489.db2.gz XEMOXCFJUSBERQ-JTQLQIEISA-N -1 3 390.429 0.214 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCOC1 ZINC000820444557 607044281 /nfs/dbraw/zinc/04/42/81/607044281.db2.gz KOZQJSFIRNITAM-NTZNESFSSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCOC1 ZINC000820444557 607044283 /nfs/dbraw/zinc/04/42/83/607044283.db2.gz KOZQJSFIRNITAM-NTZNESFSSA-N -1 3 394.457 0.075 20 0 GCADHM COC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821683275 607044816 /nfs/dbraw/zinc/04/48/16/607044816.db2.gz ZYPDBGUSQCRPOC-BXUZGUMPSA-N -1 3 396.473 0.321 20 0 GCADHM COC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821683275 607044817 /nfs/dbraw/zinc/04/48/17/607044817.db2.gz ZYPDBGUSQCRPOC-BXUZGUMPSA-N -1 3 396.473 0.321 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCSC1 ZINC000820438708 607049279 /nfs/dbraw/zinc/04/92/79/607049279.db2.gz VGSIHONWVCOGET-MWLCHTKSSA-N -1 3 382.471 0.155 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCSC1 ZINC000820438708 607049280 /nfs/dbraw/zinc/04/92/80/607049280.db2.gz VGSIHONWVCOGET-MWLCHTKSSA-N -1 3 382.471 0.155 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCn1cccc1 ZINC000820445221 607049632 /nfs/dbraw/zinc/04/96/32/607049632.db2.gz OTKZFZMQGKGMNN-LBPRGKRZSA-N -1 3 389.441 0.151 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCn1cccc1 ZINC000820445221 607049633 /nfs/dbraw/zinc/04/96/33/607049633.db2.gz OTKZFZMQGKGMNN-LBPRGKRZSA-N -1 3 389.441 0.151 20 0 GCADHM CCC[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821009615 607051630 /nfs/dbraw/zinc/05/16/30/607051630.db2.gz WZIMFCMCKGVXMJ-BDJLRTHQSA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821009615 607051631 /nfs/dbraw/zinc/05/16/31/607051631.db2.gz WZIMFCMCKGVXMJ-BDJLRTHQSA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@@H]1C[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821034619 607051793 /nfs/dbraw/zinc/05/17/93/607051793.db2.gz PVGFUXFLDRPOGU-MISXGVKJSA-N -1 3 378.458 0.838 20 0 GCADHM CCC[C@@H]1C[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821034619 607051795 /nfs/dbraw/zinc/05/17/95/607051795.db2.gz PVGFUXFLDRPOGU-MISXGVKJSA-N -1 3 378.458 0.838 20 0 GCADHM CCC1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820967684 607052592 /nfs/dbraw/zinc/05/25/92/607052592.db2.gz SWLPNJKDMIQTKN-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM CCC1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820967684 607052593 /nfs/dbraw/zinc/05/25/93/607052593.db2.gz SWLPNJKDMIQTKN-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM CO[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821675015 607053503 /nfs/dbraw/zinc/05/35/03/607053503.db2.gz BFBPUQAHJVZRTC-BXUZGUMPSA-N -1 3 396.473 0.321 20 0 GCADHM CO[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821675015 607053505 /nfs/dbraw/zinc/05/35/05/607053505.db2.gz BFBPUQAHJVZRTC-BXUZGUMPSA-N -1 3 396.473 0.321 20 0 GCADHM COCCC(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821685670 607053557 /nfs/dbraw/zinc/05/35/57/607053557.db2.gz MDLCCWCSWHGAJE-NSHDSACASA-N -1 3 396.473 0.465 20 0 GCADHM COCCC(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821685670 607053558 /nfs/dbraw/zinc/05/35/58/607053558.db2.gz MDLCCWCSWHGAJE-NSHDSACASA-N -1 3 396.473 0.465 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCSC1 ZINC000820437818 607053767 /nfs/dbraw/zinc/05/37/67/607053767.db2.gz DFSVXNXQTMZOPT-CMPLNLGQSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCSC1 ZINC000820437818 607053769 /nfs/dbraw/zinc/05/37/69/607053769.db2.gz DFSVXNXQTMZOPT-CMPLNLGQSA-N -1 3 396.498 0.545 20 0 GCADHM O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823161248 607061778 /nfs/dbraw/zinc/06/17/78/607061778.db2.gz LHMLFZHMRHOXKQ-AWEZNQCLSA-N -1 3 394.443 0.374 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820993749 607063467 /nfs/dbraw/zinc/06/34/67/607063467.db2.gz BFCZKAKHFRBNFU-FZMZJTMJSA-N -1 3 378.458 0.657 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820993749 607063470 /nfs/dbraw/zinc/06/34/70/607063470.db2.gz BFCZKAKHFRBNFU-FZMZJTMJSA-N -1 3 378.458 0.657 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C2CC2)CC1 ZINC000820438222 607063486 /nfs/dbraw/zinc/06/34/86/607063486.db2.gz LAQOMSBOLNIYHF-JTQLQIEISA-N -1 3 376.442 0.592 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C2CC2)CC1 ZINC000820438222 607063487 /nfs/dbraw/zinc/06/34/87/607063487.db2.gz LAQOMSBOLNIYHF-JTQLQIEISA-N -1 3 376.442 0.592 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820859032 607063522 /nfs/dbraw/zinc/06/35/22/607063522.db2.gz ARWXXNPFHCDRNL-COPLHBTASA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H](C)[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820859032 607063524 /nfs/dbraw/zinc/06/35/24/607063524.db2.gz ARWXXNPFHCDRNL-COPLHBTASA-N -1 3 396.473 0.057 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)[S@@](C)=O ZINC000820241549 607064521 /nfs/dbraw/zinc/06/45/21/607064521.db2.gz GSKFSDFSOLJVNI-PFUSGODGSA-N -1 3 391.501 0.855 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)[S@@](C)=O ZINC000820241549 607064523 /nfs/dbraw/zinc/06/45/23/607064523.db2.gz GSKFSDFSOLJVNI-PFUSGODGSA-N -1 3 391.501 0.855 20 0 GCADHM O=C(NCCn1ncnn1)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823229142 607064615 /nfs/dbraw/zinc/06/46/15/607064615.db2.gz DVTKPZNRQDBIGD-UHFFFAOYSA-N -1 3 393.371 0.862 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[S@@](C)=O ZINC000820240632 607064651 /nfs/dbraw/zinc/06/46/51/607064651.db2.gz CRQOZDNKZSNLMJ-KHXSAUHESA-N -1 3 392.489 0.250 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[S@@](C)=O ZINC000820240632 607064654 /nfs/dbraw/zinc/06/46/54/607064654.db2.gz CRQOZDNKZSNLMJ-KHXSAUHESA-N -1 3 392.489 0.250 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000820445370 607065016 /nfs/dbraw/zinc/06/50/16/607065016.db2.gz PBLKGESEEBBYCM-SDDRHHMPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000820445370 607065017 /nfs/dbraw/zinc/06/50/17/607065017.db2.gz PBLKGESEEBBYCM-SDDRHHMPSA-N -1 3 394.457 0.169 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000821608708 607065883 /nfs/dbraw/zinc/06/58/83/607065883.db2.gz REXUIYCBSHHFTC-UHFFFAOYSA-N -1 3 378.458 0.833 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000821608708 607065886 /nfs/dbraw/zinc/06/58/86/607065886.db2.gz REXUIYCBSHHFTC-UHFFFAOYSA-N -1 3 378.458 0.833 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000821412820 607066006 /nfs/dbraw/zinc/06/60/06/607066006.db2.gz RUUZHRXKPGFTGI-NSHDSACASA-N -1 3 380.430 0.964 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CCCS1(=O)=O ZINC000821412820 607066008 /nfs/dbraw/zinc/06/60/08/607066008.db2.gz RUUZHRXKPGFTGI-NSHDSACASA-N -1 3 380.430 0.964 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821662724 607066293 /nfs/dbraw/zinc/06/62/93/607066293.db2.gz PSENMKSUQQVXEH-UHFFFAOYSA-N -1 3 378.408 0.313 20 0 GCADHM COC(=O)CN(CCN1CCOCC1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821662724 607066295 /nfs/dbraw/zinc/06/62/95/607066295.db2.gz PSENMKSUQQVXEH-UHFFFAOYSA-N -1 3 378.408 0.313 20 0 GCADHM Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822684824 607075819 /nfs/dbraw/zinc/07/58/19/607075819.db2.gz KRXKXXVONPEBKQ-UHFFFAOYSA-N -1 3 380.361 0.349 20 0 GCADHM Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822684824 607075820 /nfs/dbraw/zinc/07/58/20/607075820.db2.gz KRXKXXVONPEBKQ-UHFFFAOYSA-N -1 3 380.361 0.349 20 0 GCADHM Cc1cc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(=O)n(C)c1 ZINC000822208603 607078988 /nfs/dbraw/zinc/07/89/88/607078988.db2.gz ZNEVOSYNKGYECZ-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM Cc1cc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(=O)n(C)c1 ZINC000822208603 607078989 /nfs/dbraw/zinc/07/89/89/607078989.db2.gz ZNEVOSYNKGYECZ-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM O=C(N[C@@H](CO)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000823139769 607079481 /nfs/dbraw/zinc/07/94/81/607079481.db2.gz LSLMYJWTUGAIDX-HNNXBMFYSA-N -1 3 385.355 0.840 20 0 GCADHM O=C(N[C@@H](CO)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000823139769 607079483 /nfs/dbraw/zinc/07/94/83/607079483.db2.gz LSLMYJWTUGAIDX-HNNXBMFYSA-N -1 3 385.355 0.840 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821696606 607079900 /nfs/dbraw/zinc/07/99/00/607079900.db2.gz JMSISBTYILJXCE-LBPRGKRZSA-N -1 3 394.457 0.503 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821696606 607079902 /nfs/dbraw/zinc/07/99/02/607079902.db2.gz JMSISBTYILJXCE-LBPRGKRZSA-N -1 3 394.457 0.503 20 0 GCADHM CCSCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821461591 607079992 /nfs/dbraw/zinc/07/99/92/607079992.db2.gz QXDGDUKVRKGHGX-SNVBAGLBSA-N -1 3 385.471 0.830 20 0 GCADHM CCSCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821461591 607079993 /nfs/dbraw/zinc/07/99/93/607079993.db2.gz QXDGDUKVRKGHGX-SNVBAGLBSA-N -1 3 385.471 0.830 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1CCOCC1 ZINC000820450076 607089707 /nfs/dbraw/zinc/08/97/07/607089707.db2.gz GQSAIZTVBJJNMF-NSHDSACASA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1CCOCC1 ZINC000820450076 607089709 /nfs/dbraw/zinc/08/97/09/607089709.db2.gz GQSAIZTVBJJNMF-NSHDSACASA-N -1 3 395.441 0.503 20 0 GCADHM CCCOCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821127197 607089754 /nfs/dbraw/zinc/08/97/54/607089754.db2.gz CNIUQFAAOZCAMF-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM CCCOCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821127197 607089756 /nfs/dbraw/zinc/08/97/56/607089756.db2.gz CNIUQFAAOZCAMF-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM CCOCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821378382 607091590 /nfs/dbraw/zinc/09/15/90/607091590.db2.gz MUWQZJYALBOVMY-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM CCOCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821378382 607091591 /nfs/dbraw/zinc/09/15/91/607091591.db2.gz MUWQZJYALBOVMY-LLVKDONJSA-N -1 3 383.430 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)C1CC1 ZINC000820445401 607092039 /nfs/dbraw/zinc/09/20/39/607092039.db2.gz PQSLPDYWPACTFL-SECBINFHSA-N -1 3 379.398 0.056 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)C1CC1 ZINC000820445401 607092040 /nfs/dbraw/zinc/09/20/40/607092040.db2.gz PQSLPDYWPACTFL-SECBINFHSA-N -1 3 379.398 0.056 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC[C@H]1CCCO1 ZINC000820451862 607092230 /nfs/dbraw/zinc/09/22/30/607092230.db2.gz XRELDTAPJSPBLP-DGCLKSJQSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC[C@H]1CCCO1 ZINC000820451862 607092231 /nfs/dbraw/zinc/09/22/31/607092231.db2.gz XRELDTAPJSPBLP-DGCLKSJQSA-N -1 3 395.441 0.646 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(=O)n(C)c1 ZINC000822207182 607093212 /nfs/dbraw/zinc/09/32/12/607093212.db2.gz NNORPNHWTVRZBY-UHFFFAOYSA-N -1 3 385.359 0.268 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(=O)n(C)c1 ZINC000822207182 607093213 /nfs/dbraw/zinc/09/32/13/607093213.db2.gz NNORPNHWTVRZBY-UHFFFAOYSA-N -1 3 385.359 0.268 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820804340 607093229 /nfs/dbraw/zinc/09/32/29/607093229.db2.gz QXXDLCSZIUNWFM-PSASIEDQSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820804340 607093230 /nfs/dbraw/zinc/09/32/30/607093230.db2.gz QXXDLCSZIUNWFM-PSASIEDQSA-N -1 3 380.792 0.067 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000822216494 607093668 /nfs/dbraw/zinc/09/36/68/607093668.db2.gz QJPQWWHUAZWXAV-LLVKDONJSA-N -1 3 395.427 0.919 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000822216494 607093669 /nfs/dbraw/zinc/09/36/69/607093669.db2.gz QJPQWWHUAZWXAV-LLVKDONJSA-N -1 3 395.427 0.919 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)c1-c1nnn[n-]1 ZINC000822312821 607093709 /nfs/dbraw/zinc/09/37/09/607093709.db2.gz JAXZZBPUMPXDBG-ZDUSSCGKSA-N -1 3 383.412 0.383 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)c1-c1nn[n-]n1 ZINC000822312821 607093710 /nfs/dbraw/zinc/09/37/10/607093710.db2.gz JAXZZBPUMPXDBG-ZDUSSCGKSA-N -1 3 383.412 0.383 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1-c1nnn[n-]1 ZINC000822312818 607093757 /nfs/dbraw/zinc/09/37/57/607093757.db2.gz JAXZZBPUMPXDBG-CYBMUJFWSA-N -1 3 383.412 0.383 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1-c1nn[n-]n1 ZINC000822312818 607093758 /nfs/dbraw/zinc/09/37/58/607093758.db2.gz JAXZZBPUMPXDBG-CYBMUJFWSA-N -1 3 383.412 0.383 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000823358812 607096002 /nfs/dbraw/zinc/09/60/02/607096002.db2.gz FTLPKNQZLDNXKS-OAHLLOKOSA-N -1 3 397.439 0.855 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000823358812 607096004 /nfs/dbraw/zinc/09/60/04/607096004.db2.gz FTLPKNQZLDNXKS-OAHLLOKOSA-N -1 3 397.439 0.855 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)[S@](C)=O ZINC000820242177 607096981 /nfs/dbraw/zinc/09/69/81/607096981.db2.gz LLKZQQRKUJCMOE-NRYVIMAVSA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)[S@](C)=O ZINC000820242177 607096982 /nfs/dbraw/zinc/09/69/82/607096982.db2.gz LLKZQQRKUJCMOE-NRYVIMAVSA-N -1 3 384.849 0.732 20 0 GCADHM CN(C)C(=O)CCCC[S@@](=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821575865 607098816 /nfs/dbraw/zinc/09/88/16/607098816.db2.gz SJSTWGQKSNXBLS-HHHXNRCGSA-N -1 3 392.485 0.490 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)C2)NC(=O)NC1=O ZINC000820607194 607101133 /nfs/dbraw/zinc/10/11/33/607101133.db2.gz MFEJDNDKAMSRCA-UGSOOPFHSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)C2)NC(=O)NC1=O ZINC000820607194 607101135 /nfs/dbraw/zinc/10/11/35/607101135.db2.gz MFEJDNDKAMSRCA-UGSOOPFHSA-N -1 3 398.427 0.386 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(=O)NCCNC(C)=O ZINC000821294127 607101620 /nfs/dbraw/zinc/10/16/20/607101620.db2.gz SJIUSACWDSWULT-UHFFFAOYSA-N -1 3 388.432 0.270 20 0 GCADHM O=C1NCCC[C@H]1N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000823548283 607102523 /nfs/dbraw/zinc/10/25/23/607102523.db2.gz VTXOEYSEVNYFSC-MRXNPFEDSA-N -1 3 378.440 0.816 20 0 GCADHM O=C1NCCC[C@H]1N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000823548283 607102524 /nfs/dbraw/zinc/10/25/24/607102524.db2.gz VTXOEYSEVNYFSC-MRXNPFEDSA-N -1 3 378.440 0.816 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCc1cc(C(N)=O)no1 ZINC000820033271 607102773 /nfs/dbraw/zinc/10/27/73/607102773.db2.gz TUNWEDHJSNGAEY-AWEZNQCLSA-N -1 3 385.384 0.673 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCc1cc(C(N)=O)no1 ZINC000820033271 607102774 /nfs/dbraw/zinc/10/27/74/607102774.db2.gz TUNWEDHJSNGAEY-AWEZNQCLSA-N -1 3 385.384 0.673 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820803746 607102850 /nfs/dbraw/zinc/10/28/50/607102850.db2.gz GOGZSASMAGTFCK-ZYHUDNBSSA-N -1 3 380.836 0.930 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820803746 607102851 /nfs/dbraw/zinc/10/28/51/607102851.db2.gz GOGZSASMAGTFCK-ZYHUDNBSSA-N -1 3 380.836 0.930 20 0 GCADHM NC(=O)NC(=O)C1CCC(NC(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000822873653 607103594 /nfs/dbraw/zinc/10/35/94/607103594.db2.gz FSWBFBBWEJMZHX-UHFFFAOYSA-N -1 3 387.400 0.115 20 0 GCADHM NC(=O)NC(=O)C1CCC(NC(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000822873653 607103595 /nfs/dbraw/zinc/10/35/95/607103595.db2.gz FSWBFBBWEJMZHX-UHFFFAOYSA-N -1 3 387.400 0.115 20 0 GCADHM NC(=O)NC(=O)C1CCC(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822874218 607110232 /nfs/dbraw/zinc/11/02/32/607110232.db2.gz VCHQAAXBYAWXSY-UHFFFAOYSA-N -1 3 386.416 0.149 20 0 GCADHM COC(=O)NC(C)(C)C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821664808 607111444 /nfs/dbraw/zinc/11/14/44/607111444.db2.gz KATVHXIKLXHMQO-LBPRGKRZSA-N -1 3 388.384 0.650 20 0 GCADHM COC(=O)NC(C)(C)C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821664808 607111446 /nfs/dbraw/zinc/11/14/46/607111446.db2.gz KATVHXIKLXHMQO-LBPRGKRZSA-N -1 3 388.384 0.650 20 0 GCADHM Cc1ncc(C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c(N)n1 ZINC000822467492 607113986 /nfs/dbraw/zinc/11/39/86/607113986.db2.gz NRANFYVTJQJBKB-UHFFFAOYSA-N -1 3 388.775 0.996 20 0 GCADHM Cc1ncc(C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c(N)n1 ZINC000822467492 607113987 /nfs/dbraw/zinc/11/39/87/607113987.db2.gz NRANFYVTJQJBKB-UHFFFAOYSA-N -1 3 388.775 0.996 20 0 GCADHM CC(=O)CCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819782951 607115685 /nfs/dbraw/zinc/11/56/85/607115685.db2.gz RKZCTZICCSWARN-LBPRGKRZSA-N -1 3 395.441 0.836 20 0 GCADHM CC(=O)CCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819782951 607115686 /nfs/dbraw/zinc/11/56/86/607115686.db2.gz RKZCTZICCSWARN-LBPRGKRZSA-N -1 3 395.441 0.836 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1cccnc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820495285 607116851 /nfs/dbraw/zinc/11/68/51/607116851.db2.gz GNQUHHMYVVBCDV-NSHDSACASA-N -1 3 395.379 0.562 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1cccnc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820495285 607116852 /nfs/dbraw/zinc/11/68/52/607116852.db2.gz GNQUHHMYVVBCDV-NSHDSACASA-N -1 3 395.379 0.562 20 0 GCADHM O=C(COC(=O)C[C@@H]1COC(=O)C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823017855 607117451 /nfs/dbraw/zinc/11/74/51/607117451.db2.gz DHTBMPDBEGFNDA-MRVPVSSYSA-N -1 3 379.760 0.955 20 0 GCADHM O=C(COC(=O)C[C@@H]1COC(=O)C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823017855 607117452 /nfs/dbraw/zinc/11/74/52/607117452.db2.gz DHTBMPDBEGFNDA-MRVPVSSYSA-N -1 3 379.760 0.955 20 0 GCADHM O=C(COC(=O)C[C@@H]1COC(=O)C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823018690 607117475 /nfs/dbraw/zinc/11/74/75/607117475.db2.gz WOOLUYGNYJSYGX-MRVPVSSYSA-N -1 3 379.760 0.955 20 0 GCADHM O=C(COC(=O)C[C@@H]1COC(=O)C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823018690 607117476 /nfs/dbraw/zinc/11/74/76/607117476.db2.gz WOOLUYGNYJSYGX-MRVPVSSYSA-N -1 3 379.760 0.955 20 0 GCADHM CC1(O)CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000820628689 607122217 /nfs/dbraw/zinc/12/22/17/607122217.db2.gz LIYBIQORKUXBKV-UHFFFAOYSA-N -1 3 385.428 0.435 20 0 GCADHM C[C@@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820235908 607123794 /nfs/dbraw/zinc/12/37/94/607123794.db2.gz UZQLUIPWBLYACF-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](C[C@H]1CCOC1)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820235908 607123795 /nfs/dbraw/zinc/12/37/95/607123795.db2.gz UZQLUIPWBLYACF-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](C[C@@H]1CCOC1)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000820231646 607123982 /nfs/dbraw/zinc/12/39/82/607123982.db2.gz CRXRMGZYESVOIS-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](C[C@@H]1CCOC1)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000820231646 607123983 /nfs/dbraw/zinc/12/39/83/607123983.db2.gz CRXRMGZYESVOIS-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM COC(=O)[C@@]1(C)CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821651993 607127596 /nfs/dbraw/zinc/12/75/96/607127596.db2.gz KGTABUNKUMAPME-INIZCTEOSA-N -1 3 379.442 0.525 20 0 GCADHM COC(=O)[C@@]1(C)CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821651993 607127598 /nfs/dbraw/zinc/12/75/98/607127598.db2.gz KGTABUNKUMAPME-INIZCTEOSA-N -1 3 379.442 0.525 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000821155210 607135936 /nfs/dbraw/zinc/13/59/36/607135936.db2.gz XLUWPHKMTONEBP-NSHDSACASA-N -1 3 383.405 0.420 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000821155210 607135938 /nfs/dbraw/zinc/13/59/38/607135938.db2.gz XLUWPHKMTONEBP-NSHDSACASA-N -1 3 383.405 0.420 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000822161829 607139726 /nfs/dbraw/zinc/13/97/26/607139726.db2.gz UQTQFXYAUVHNKA-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822161829 607139727 /nfs/dbraw/zinc/13/97/27/607139727.db2.gz UQTQFXYAUVHNKA-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821367928 607144408 /nfs/dbraw/zinc/14/44/08/607144408.db2.gz OUIBYNGQANKIFG-ZDUSSCGKSA-N -1 3 379.442 0.995 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821367928 607144410 /nfs/dbraw/zinc/14/44/10/607144410.db2.gz OUIBYNGQANKIFG-ZDUSSCGKSA-N -1 3 379.442 0.995 20 0 GCADHM O=c1c(Br)cncn1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823657789 607153090 /nfs/dbraw/zinc/15/30/90/607153090.db2.gz URTNWPBQPMTQSQ-SNVBAGLBSA-N -1 3 393.201 0.626 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCOC2(CCOCC2)C1 ZINC000823202167 607154011 /nfs/dbraw/zinc/15/40/11/607154011.db2.gz RUHPDYZDLDTSPH-UHFFFAOYSA-N -1 3 388.432 0.265 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCOC2(CCOCC2)C1 ZINC000823202167 607154012 /nfs/dbraw/zinc/15/40/12/607154012.db2.gz RUHPDYZDLDTSPH-UHFFFAOYSA-N -1 3 388.432 0.265 20 0 GCADHM O=C(Cn1cncc(Br)c1=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823136013 607158879 /nfs/dbraw/zinc/15/88/79/607158879.db2.gz FYFJEYYDOBGCNM-UHFFFAOYSA-N -1 3 390.201 0.502 20 0 GCADHM O=C(Cn1cncc(Br)c1=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823136013 607158880 /nfs/dbraw/zinc/15/88/80/607158880.db2.gz FYFJEYYDOBGCNM-UHFFFAOYSA-N -1 3 390.201 0.502 20 0 GCADHM CC(C)(C)OC(=O)NC1(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000819933424 607160608 /nfs/dbraw/zinc/16/06/08/607160608.db2.gz REVBBZVLKNVCPA-UHFFFAOYSA-N -1 3 388.432 0.847 20 0 GCADHM CC(C)(C)OC(=O)NC1(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000819933424 607160609 /nfs/dbraw/zinc/16/06/09/607160609.db2.gz REVBBZVLKNVCPA-UHFFFAOYSA-N -1 3 388.432 0.847 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000821700380 607167438 /nfs/dbraw/zinc/16/74/38/607167438.db2.gz MPRYGTORAIXHGX-WFASDCNBSA-N -1 3 391.453 0.987 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCS[C@H]2COCC[C@@H]21 ZINC000821700380 607167439 /nfs/dbraw/zinc/16/74/39/607167439.db2.gz MPRYGTORAIXHGX-WFASDCNBSA-N -1 3 391.453 0.987 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCS[C@H]2COCC[C@@H]21 ZINC000823162661 607168786 /nfs/dbraw/zinc/16/87/86/607168786.db2.gz YXZKYDVXIIWYNT-KBPBESRZSA-N -1 3 388.453 0.329 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCS[C@H]2COCC[C@@H]21 ZINC000823162661 607168788 /nfs/dbraw/zinc/16/87/88/607168788.db2.gz YXZKYDVXIIWYNT-KBPBESRZSA-N -1 3 388.453 0.329 20 0 GCADHM CC(C)n1ncc2c1ncn(CC(=O)NCc1ccc(-c3nnn[n-]3)cc1)c2=O ZINC000820215016 607170375 /nfs/dbraw/zinc/17/03/75/607170375.db2.gz PSTVENSLBKJBTG-UHFFFAOYSA-N -1 3 393.411 0.670 20 0 GCADHM CC(C)n1ncc2c1ncn(CC(=O)NCc1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000820215016 607170376 /nfs/dbraw/zinc/17/03/76/607170376.db2.gz PSTVENSLBKJBTG-UHFFFAOYSA-N -1 3 393.411 0.670 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822674500 607171428 /nfs/dbraw/zinc/17/14/28/607171428.db2.gz VVACBLFAZORHGQ-CXAGYDPISA-N -1 3 382.384 0.101 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674500 607171429 /nfs/dbraw/zinc/17/14/29/607171429.db2.gz VVACBLFAZORHGQ-CXAGYDPISA-N -1 3 382.384 0.101 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(C[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822674503 607171431 /nfs/dbraw/zinc/17/14/31/607171431.db2.gz VVACBLFAZORHGQ-SUMWQHHRSA-N -1 3 382.384 0.101 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674503 607171432 /nfs/dbraw/zinc/17/14/32/607171432.db2.gz VVACBLFAZORHGQ-SUMWQHHRSA-N -1 3 382.384 0.101 20 0 GCADHM FC(F)c1nnc2ccc(N3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)nn21 ZINC000822737242 607173201 /nfs/dbraw/zinc/17/32/01/607173201.db2.gz RMSPDSACUAIFBI-UHFFFAOYSA-N -1 3 399.369 0.964 20 0 GCADHM FC(F)c1nnc2ccc(N3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)nn21 ZINC000822737242 607173202 /nfs/dbraw/zinc/17/32/02/607173202.db2.gz RMSPDSACUAIFBI-UHFFFAOYSA-N -1 3 399.369 0.964 20 0 GCADHM COCCC1(CNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000821686302 607173823 /nfs/dbraw/zinc/17/38/23/607173823.db2.gz JLPTZTCFFPVMSV-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM COCCC1(CNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000821686302 607173824 /nfs/dbraw/zinc/17/38/24/607173824.db2.gz JLPTZTCFFPVMSV-UHFFFAOYSA-N -1 3 386.460 0.910 20 0 GCADHM COC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000821667078 607179155 /nfs/dbraw/zinc/17/91/55/607179155.db2.gz STMDFFMWSYBDQX-CQSZACIVSA-N -1 3 398.379 0.982 20 0 GCADHM COC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821667078 607179156 /nfs/dbraw/zinc/17/91/56/607179156.db2.gz STMDFFMWSYBDQX-CQSZACIVSA-N -1 3 398.379 0.982 20 0 GCADHM O=C(CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1CC1 ZINC000822958828 607179939 /nfs/dbraw/zinc/17/99/39/607179939.db2.gz JAIYYDRADZZTGY-UHFFFAOYSA-N -1 3 391.819 0.634 20 0 GCADHM O=C(CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1CC1 ZINC000822958828 607179940 /nfs/dbraw/zinc/17/99/40/607179940.db2.gz JAIYYDRADZZTGY-UHFFFAOYSA-N -1 3 391.819 0.634 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820876411 607180763 /nfs/dbraw/zinc/18/07/63/607180763.db2.gz PZLVFJVNYNCYHP-RKDXNWHRSA-N -1 3 393.835 0.878 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820876411 607180764 /nfs/dbraw/zinc/18/07/64/607180764.db2.gz PZLVFJVNYNCYHP-RKDXNWHRSA-N -1 3 393.835 0.878 20 0 GCADHM COCCc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)n(C)n1 ZINC000821694153 607181062 /nfs/dbraw/zinc/18/10/62/607181062.db2.gz AADHVMPCKVLBSV-UHFFFAOYSA-N -1 3 398.427 0.386 20 0 GCADHM COCCc1cc(NC(=O)C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC000821694153 607181063 /nfs/dbraw/zinc/18/10/63/607181063.db2.gz AADHVMPCKVLBSV-UHFFFAOYSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CCS1(=O)=O ZINC000820735336 607182459 /nfs/dbraw/zinc/18/24/59/607182459.db2.gz RJISAAUHNRQHEP-MRVPVSSYSA-N -1 3 398.832 0.104 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CCS1(=O)=O ZINC000820735336 607182460 /nfs/dbraw/zinc/18/24/60/607182460.db2.gz RJISAAUHNRQHEP-MRVPVSSYSA-N -1 3 398.832 0.104 20 0 GCADHM CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821956096 607182609 /nfs/dbraw/zinc/18/26/09/607182609.db2.gz HEQSJUTULXRIPS-AWEZNQCLSA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821956096 607182610 /nfs/dbraw/zinc/18/26/10/607182610.db2.gz HEQSJUTULXRIPS-AWEZNQCLSA-N -1 3 384.849 0.689 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822860060 607182838 /nfs/dbraw/zinc/18/28/38/607182838.db2.gz MOUGEJHWBCKREJ-SCZZXKLOSA-N -1 3 391.819 0.619 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000822860060 607182839 /nfs/dbraw/zinc/18/28/39/607182839.db2.gz MOUGEJHWBCKREJ-SCZZXKLOSA-N -1 3 391.819 0.619 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820288436 607183143 /nfs/dbraw/zinc/18/31/43/607183143.db2.gz VIXNOOWCOOVNSH-GXSJLCMTSA-N -1 3 394.819 0.769 20 0 GCADHM C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820288436 607183144 /nfs/dbraw/zinc/18/31/44/607183144.db2.gz VIXNOOWCOOVNSH-GXSJLCMTSA-N -1 3 394.819 0.769 20 0 GCADHM CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821951283 607183760 /nfs/dbraw/zinc/18/37/60/607183760.db2.gz VWCKNJHDBCHUIC-WRWORJQWSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821951283 607183761 /nfs/dbraw/zinc/18/37/61/607183761.db2.gz VWCKNJHDBCHUIC-WRWORJQWSA-N -1 3 384.849 0.687 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823190993 607184302 /nfs/dbraw/zinc/18/43/02/607184302.db2.gz HFXNRQUKMVWBQM-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823190993 607184303 /nfs/dbraw/zinc/18/43/03/607184303.db2.gz HFXNRQUKMVWBQM-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)OCCCc1nc2ncccn2n1 ZINC000823037390 607185583 /nfs/dbraw/zinc/18/55/83/607185583.db2.gz WTVNQAKZPXHXLH-UHFFFAOYSA-N -1 3 380.368 0.859 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000822899606 607186199 /nfs/dbraw/zinc/18/61/99/607186199.db2.gz LVWQIWCQIMOWSF-WFASDCNBSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000822899606 607186200 /nfs/dbraw/zinc/18/62/00/607186200.db2.gz LVWQIWCQIMOWSF-WFASDCNBSA-N -1 3 382.428 0.916 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000819802631 607187314 /nfs/dbraw/zinc/18/73/14/607187314.db2.gz GSPLISCCLIBRIW-CQSZACIVSA-N -1 3 398.452 0.794 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000819802631 607187315 /nfs/dbraw/zinc/18/73/15/607187315.db2.gz GSPLISCCLIBRIW-CQSZACIVSA-N -1 3 398.452 0.794 20 0 GCADHM CN1N=C(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CCC1=O ZINC000821630465 607187438 /nfs/dbraw/zinc/18/74/38/607187438.db2.gz YUNFUDICAZFJNR-UHFFFAOYSA-N -1 3 379.384 0.481 20 0 GCADHM CN1N=C(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CCC1=O ZINC000821630465 607187439 /nfs/dbraw/zinc/18/74/39/607187439.db2.gz YUNFUDICAZFJNR-UHFFFAOYSA-N -1 3 379.384 0.481 20 0 GCADHM C[C@]1(c2cccc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)c2)NC(=O)NC1=O ZINC000425935154 607192228 /nfs/dbraw/zinc/19/22/28/607192228.db2.gz HBOJAPGXGNGOSE-LJQANCHMSA-N -1 3 391.391 0.851 20 0 GCADHM CC[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000820989215 607194790 /nfs/dbraw/zinc/19/47/90/607194790.db2.gz OFOAZWQBNNZMJB-AAEUAGOBSA-N -1 3 375.437 0.175 20 0 GCADHM CC[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000820989215 607194791 /nfs/dbraw/zinc/19/47/91/607194791.db2.gz OFOAZWQBNNZMJB-AAEUAGOBSA-N -1 3 375.437 0.175 20 0 GCADHM COC(=O)c1[nH]c(C)c(C(=O)NCCNc2ncccc2-c2nnn[n-]2)c1C ZINC000821667199 607210316 /nfs/dbraw/zinc/21/03/16/607210316.db2.gz ZLZNVFJTZZWELA-UHFFFAOYSA-N -1 3 384.400 0.835 20 0 GCADHM COC(=O)c1[nH]c(C)c(C(=O)NCCNc2ncccc2-c2nn[n-]n2)c1C ZINC000821667199 607210317 /nfs/dbraw/zinc/21/03/17/607210317.db2.gz ZLZNVFJTZZWELA-UHFFFAOYSA-N -1 3 384.400 0.835 20 0 GCADHM CN(C)[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000821579826 607221045 /nfs/dbraw/zinc/22/10/45/607221045.db2.gz PLTWZUGCFPMNAC-GFCCVEGCSA-N -1 3 375.824 0.531 20 0 GCADHM CC(C)C1CCC(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)CC1 ZINC000820038235 607221778 /nfs/dbraw/zinc/22/17/78/607221778.db2.gz LZOBOLCTWREEBU-UHFFFAOYSA-N -1 3 387.492 0.817 20 0 GCADHM CN(C)c1nc(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)ns1 ZINC000821590806 607227797 /nfs/dbraw/zinc/22/77/97/607227797.db2.gz GNIRJGSWTRWQLW-MRXNPFEDSA-N -1 3 399.440 0.751 20 0 GCADHM CN(C)c1nc(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)ns1 ZINC000821590806 607227798 /nfs/dbraw/zinc/22/77/98/607227798.db2.gz GNIRJGSWTRWQLW-MRXNPFEDSA-N -1 3 399.440 0.751 20 0 GCADHM CN(C)c1nc(CN(c2cccc(-c3nnn[n-]3)c2)S(C)(=O)=O)ns1 ZINC000821590939 607228677 /nfs/dbraw/zinc/22/86/77/607228677.db2.gz MTVNYOWEQGZERP-UHFFFAOYSA-N -1 3 380.459 0.750 20 0 GCADHM CN(C)c1nc(CN(c2cccc(-c3nn[n-]n3)c2)S(C)(=O)=O)ns1 ZINC000821590939 607228678 /nfs/dbraw/zinc/22/86/78/607228678.db2.gz MTVNYOWEQGZERP-UHFFFAOYSA-N -1 3 380.459 0.750 20 0 GCADHM O=C1NC2(CCC3(CC2)OCCO3)C(=O)N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823540356 607229596 /nfs/dbraw/zinc/22/95/96/607229596.db2.gz BIAOPKZPAOEDLR-UHFFFAOYSA-N -1 3 384.396 0.974 20 0 GCADHM O=C1NC2(CCC3(CC2)OCCO3)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823540356 607229597 /nfs/dbraw/zinc/22/95/97/607229597.db2.gz BIAOPKZPAOEDLR-UHFFFAOYSA-N -1 3 384.396 0.974 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000820993887 607230446 /nfs/dbraw/zinc/23/04/46/607230446.db2.gz BPHVYOAPDHFTFF-CJNGLKHVSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820993887 607230447 /nfs/dbraw/zinc/23/04/47/607230447.db2.gz BPHVYOAPDHFTFF-CJNGLKHVSA-N -1 3 392.485 0.598 20 0 GCADHM C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C(=O)NCc1ccco1 ZINC000820403399 607233424 /nfs/dbraw/zinc/23/34/24/607233424.db2.gz JOFHCGDPAACIAC-QMMMGPOBSA-N -1 3 375.776 0.943 20 0 GCADHM C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C(=O)NCc1ccco1 ZINC000820403399 607233425 /nfs/dbraw/zinc/23/34/25/607233425.db2.gz JOFHCGDPAACIAC-QMMMGPOBSA-N -1 3 375.776 0.943 20 0 GCADHM Cc1nc(SCC(=O)N2CCO[C@@H](CO)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000822454117 607234262 /nfs/dbraw/zinc/23/42/62/607234262.db2.gz UBGKQFHMMURHPK-GFCCVEGCSA-N -1 3 378.458 0.499 20 0 GCADHM Cc1nc(SCC(=O)N2CCO[C@@H](CO)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000822454117 607234263 /nfs/dbraw/zinc/23/42/63/607234263.db2.gz UBGKQFHMMURHPK-GFCCVEGCSA-N -1 3 378.458 0.499 20 0 GCADHM C[C@@H](O)CCNC(=O)C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824700291 607773451 /nfs/dbraw/zinc/77/34/51/607773451.db2.gz XWACKGLMOYNIAS-SECBINFHSA-N -1 3 387.425 0.816 20 0 GCADHM C[C@@H](O)CCNC(=O)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824700291 607773452 /nfs/dbraw/zinc/77/34/52/607773452.db2.gz XWACKGLMOYNIAS-SECBINFHSA-N -1 3 387.425 0.816 20 0 GCADHM C[C@@]1(O)CCN(C(=O)C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)C1 ZINC000824843571 607773594 /nfs/dbraw/zinc/77/35/94/607773594.db2.gz GYFJXHIGQZYILN-QGZVFWFLSA-N -1 3 399.436 0.912 20 0 GCADHM C[C@@]1(O)CCN(C(=O)C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)C1 ZINC000824843571 607773595 /nfs/dbraw/zinc/77/35/95/607773595.db2.gz GYFJXHIGQZYILN-QGZVFWFLSA-N -1 3 399.436 0.912 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C)CCOCC1 ZINC000824633456 607775616 /nfs/dbraw/zinc/77/56/16/607775616.db2.gz NXYNFBNIEAPVDO-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C)CCOCC1 ZINC000824633456 607775617 /nfs/dbraw/zinc/77/56/17/607775617.db2.gz NXYNFBNIEAPVDO-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM CC(=O)N1CC[C@H](NC(=O)NCCNc2ncccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC000823972405 607781100 /nfs/dbraw/zinc/78/11/00/607781100.db2.gz AJTJQHCKRWBNKG-FZMZJTMJSA-N -1 3 387.448 0.230 20 0 GCADHM CC(=O)N1CC[C@H](NC(=O)NCCNc2ncccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000823972405 607781101 /nfs/dbraw/zinc/78/11/01/607781101.db2.gz AJTJQHCKRWBNKG-FZMZJTMJSA-N -1 3 387.448 0.230 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@]1(O)CCc2ccccc21 ZINC000826438135 607781634 /nfs/dbraw/zinc/78/16/34/607781634.db2.gz OILOKQQGUKGYRW-LJQANCHMSA-N -1 3 394.439 0.807 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@]1(O)CCc2ccccc21 ZINC000826438135 607781635 /nfs/dbraw/zinc/78/16/35/607781635.db2.gz OILOKQQGUKGYRW-LJQANCHMSA-N -1 3 394.439 0.807 20 0 GCADHM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccccc2-c2nnn[n-]2)C1 ZINC000825663508 607789537 /nfs/dbraw/zinc/78/95/37/607789537.db2.gz QPTPSKZUJOOYJL-GFCCVEGCSA-N -1 3 378.458 0.891 20 0 GCADHM CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)c2ccccc2-c2nn[n-]n2)C1 ZINC000825663508 607789538 /nfs/dbraw/zinc/78/95/38/607789538.db2.gz QPTPSKZUJOOYJL-GFCCVEGCSA-N -1 3 378.458 0.891 20 0 GCADHM COc1ccnc(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)c1 ZINC000826221055 607792321 /nfs/dbraw/zinc/79/23/21/607792321.db2.gz MUBQAZZRQWAIJD-UHFFFAOYSA-N -1 3 391.395 0.968 20 0 GCADHM COc1ccnc(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)c1 ZINC000826221055 607792322 /nfs/dbraw/zinc/79/23/22/607792322.db2.gz MUBQAZZRQWAIJD-UHFFFAOYSA-N -1 3 391.395 0.968 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CCN(CCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826472546 607792546 /nfs/dbraw/zinc/79/25/46/607792546.db2.gz NYSBAXPZHQYTHR-UHFFFAOYSA-N -1 3 395.423 0.804 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CCN(CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826472546 607792547 /nfs/dbraw/zinc/79/25/47/607792547.db2.gz NYSBAXPZHQYTHR-UHFFFAOYSA-N -1 3 395.423 0.804 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@H]1CC[C@H](O)CC1 ZINC000826432397 607793611 /nfs/dbraw/zinc/79/36/11/607793611.db2.gz ZWKJDPVUSQUMDR-CTYIDZIISA-N -1 3 386.460 0.833 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@H]1CC[C@H](O)CC1 ZINC000826432397 607793612 /nfs/dbraw/zinc/79/36/12/607793612.db2.gz ZWKJDPVUSQUMDR-CTYIDZIISA-N -1 3 386.460 0.833 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000825958066 607793914 /nfs/dbraw/zinc/79/39/14/607793914.db2.gz MRLWYXACZOIYOB-CYBMUJFWSA-N -1 3 393.473 0.290 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000825958066 607793915 /nfs/dbraw/zinc/79/39/15/607793915.db2.gz MRLWYXACZOIYOB-CYBMUJFWSA-N -1 3 393.473 0.290 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826223482 607794108 /nfs/dbraw/zinc/79/41/08/607794108.db2.gz NYOHCZPLKLXHQJ-SNVBAGLBSA-N -1 3 397.436 0.087 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826223482 607794109 /nfs/dbraw/zinc/79/41/09/607794109.db2.gz NYOHCZPLKLXHQJ-SNVBAGLBSA-N -1 3 397.436 0.087 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000825424599 607801241 /nfs/dbraw/zinc/80/12/41/607801241.db2.gz LFDLKJPJCPJMHC-NSHDSACASA-N -1 3 384.487 0.400 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000825424599 607801242 /nfs/dbraw/zinc/80/12/42/607801242.db2.gz LFDLKJPJCPJMHC-NSHDSACASA-N -1 3 384.487 0.400 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(Cn2ccnn2)CC1 ZINC000826433098 607804166 /nfs/dbraw/zinc/80/41/66/607804166.db2.gz UMRTUTJQMIKAES-UHFFFAOYSA-N -1 3 395.427 0.127 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(Cn2ccnn2)CC1 ZINC000826433098 607804167 /nfs/dbraw/zinc/80/41/67/607804167.db2.gz UMRTUTJQMIKAES-UHFFFAOYSA-N -1 3 395.427 0.127 20 0 GCADHM CCS(=O)(=O)NCCCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000825662927 607804796 /nfs/dbraw/zinc/80/47/96/607804796.db2.gz FRHMXNYXKPPCSY-UHFFFAOYSA-N -1 3 397.457 0.897 20 0 GCADHM CCS(=O)(=O)NCCCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825662927 607804797 /nfs/dbraw/zinc/80/47/97/607804797.db2.gz FRHMXNYXKPPCSY-UHFFFAOYSA-N -1 3 397.457 0.897 20 0 GCADHM O=C(COC(=O)C(F)(F)C1(O)CCC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826415152 607804939 /nfs/dbraw/zinc/80/49/39/607804939.db2.gz UAQOVNYOUMFRLP-UHFFFAOYSA-N -1 3 381.339 0.576 20 0 GCADHM O=C(COC(=O)C(F)(F)C1(O)CCC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826415152 607804940 /nfs/dbraw/zinc/80/49/40/607804940.db2.gz UAQOVNYOUMFRLP-UHFFFAOYSA-N -1 3 381.339 0.576 20 0 GCADHM CC(=O)OC1CCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824004966 607806643 /nfs/dbraw/zinc/80/66/43/607806643.db2.gz IDNDESCCSHAYNY-OAHLLOKOSA-N -1 3 384.396 0.526 20 0 GCADHM CC(=O)OC1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824004966 607806644 /nfs/dbraw/zinc/80/66/44/607806644.db2.gz IDNDESCCSHAYNY-OAHLLOKOSA-N -1 3 384.396 0.526 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC(Cn2ccnn2)CC1 ZINC000826495668 607812431 /nfs/dbraw/zinc/81/24/31/607812431.db2.gz WKPFNDFNLPDLHD-UHFFFAOYSA-N -1 3 392.420 0.698 20 0 GCADHM CCC[C@@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825258798 607814514 /nfs/dbraw/zinc/81/45/14/607814514.db2.gz DLXZMMVFWNUMRF-LBPRGKRZSA-N -1 3 378.414 0.361 20 0 GCADHM CCC[C@@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825258798 607814515 /nfs/dbraw/zinc/81/45/15/607814515.db2.gz DLXZMMVFWNUMRF-LBPRGKRZSA-N -1 3 378.414 0.361 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824818741 607814656 /nfs/dbraw/zinc/81/46/56/607814656.db2.gz VZVNRKGNGWLJMM-INIZCTEOSA-N -1 3 390.425 0.361 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824818741 607814657 /nfs/dbraw/zinc/81/46/57/607814657.db2.gz VZVNRKGNGWLJMM-INIZCTEOSA-N -1 3 390.425 0.361 20 0 GCADHM COCCN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000826159543 607815397 /nfs/dbraw/zinc/81/53/97/607815397.db2.gz JIJYZXLJECZJJE-AWEZNQCLSA-N -1 3 394.501 0.293 20 0 GCADHM COCCN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000826159543 607815398 /nfs/dbraw/zinc/81/53/98/607815398.db2.gz JIJYZXLJECZJJE-AWEZNQCLSA-N -1 3 394.501 0.293 20 0 GCADHM O=S(=O)(CCN1CCC[C@H]1Cn1cncn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484731 607815772 /nfs/dbraw/zinc/81/57/72/607815772.db2.gz NMNGZAGAPZEOSG-AWEZNQCLSA-N -1 3 388.457 0.397 20 0 GCADHM O=S(=O)(CCN1CCC[C@H]1Cn1cncn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484731 607815773 /nfs/dbraw/zinc/81/57/73/607815773.db2.gz NMNGZAGAPZEOSG-AWEZNQCLSA-N -1 3 388.457 0.397 20 0 GCADHM CCn1cc(CN(C)CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825799904 607816112 /nfs/dbraw/zinc/81/61/12/607816112.db2.gz WESYJKOOSBFQJY-UHFFFAOYSA-N -1 3 375.458 0.989 20 0 GCADHM CCn1cc(CN(C)CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825799904 607816113 /nfs/dbraw/zinc/81/61/13/607816113.db2.gz WESYJKOOSBFQJY-UHFFFAOYSA-N -1 3 375.458 0.989 20 0 GCADHM O=c1onc(-c2ccccn2)n1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826502223 607817539 /nfs/dbraw/zinc/81/75/39/607817539.db2.gz ZOBWIUATKHMUHN-UHFFFAOYSA-N -1 3 399.392 0.552 20 0 GCADHM O=c1onc(-c2ccccn2)n1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826502223 607817540 /nfs/dbraw/zinc/81/75/40/607817540.db2.gz ZOBWIUATKHMUHN-UHFFFAOYSA-N -1 3 399.392 0.552 20 0 GCADHM NC(=O)COc1cccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826391440 607818794 /nfs/dbraw/zinc/81/87/94/607818794.db2.gz LCDOHJODPARSIC-UHFFFAOYSA-N -1 3 375.366 0.499 20 0 GCADHM NC(=O)COc1cccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826391440 607818795 /nfs/dbraw/zinc/81/87/95/607818795.db2.gz LCDOHJODPARSIC-UHFFFAOYSA-N -1 3 375.366 0.499 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826487112 607818913 /nfs/dbraw/zinc/81/89/13/607818913.db2.gz DHWKKGAMLFQZRR-GOEBONIOSA-N -1 3 389.437 0.630 20 0 GCADHM O=S(=O)(N[C@H](CO)C[C@@H](O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826487112 607818914 /nfs/dbraw/zinc/81/89/14/607818914.db2.gz DHWKKGAMLFQZRR-GOEBONIOSA-N -1 3 389.437 0.630 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826437842 607823006 /nfs/dbraw/zinc/82/30/06/607823006.db2.gz CTQQHINCUCQVFR-YUELXQCFSA-N -1 3 384.444 0.930 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000826437842 607823007 /nfs/dbraw/zinc/82/30/07/607823007.db2.gz CTQQHINCUCQVFR-YUELXQCFSA-N -1 3 384.444 0.930 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826437925 607823522 /nfs/dbraw/zinc/82/35/22/607823522.db2.gz HPBUUSVYWNTKLR-MRVWCRGKSA-N -1 3 384.444 0.930 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000826437925 607823523 /nfs/dbraw/zinc/82/35/23/607823523.db2.gz HPBUUSVYWNTKLR-MRVWCRGKSA-N -1 3 384.444 0.930 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000824207348 607825453 /nfs/dbraw/zinc/82/54/53/607825453.db2.gz UZAXUHUQKUXFDC-RISCZKNCSA-N -1 3 381.458 0.819 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000824207348 607825454 /nfs/dbraw/zinc/82/54/54/607825454.db2.gz UZAXUHUQKUXFDC-RISCZKNCSA-N -1 3 381.458 0.819 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOC[C@H](C)C1 ZINC000825006016 607825525 /nfs/dbraw/zinc/82/55/25/607825525.db2.gz FOEWWCGBMJFZJG-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOC[C@H](C)C1 ZINC000825006016 607825526 /nfs/dbraw/zinc/82/55/26/607825526.db2.gz FOEWWCGBMJFZJG-NEPJUHHUSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOC[C@@H](C)C1 ZINC000825006023 607825728 /nfs/dbraw/zinc/82/57/28/607825728.db2.gz FOEWWCGBMJFZJG-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOC[C@@H](C)C1 ZINC000825006023 607825729 /nfs/dbraw/zinc/82/57/29/607825729.db2.gz FOEWWCGBMJFZJG-RYUDHWBXSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)S(C)(=O)=O ZINC000824419657 607826066 /nfs/dbraw/zinc/82/60/66/607826066.db2.gz BFGFTOBIFJFXSJ-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)S(C)(=O)=O ZINC000824419657 607826067 /nfs/dbraw/zinc/82/60/67/607826067.db2.gz BFGFTOBIFJFXSJ-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)S(C)(=O)=O ZINC000824419658 607826280 /nfs/dbraw/zinc/82/62/80/607826280.db2.gz BFGFTOBIFJFXSJ-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)S(C)(=O)=O ZINC000824419658 607826281 /nfs/dbraw/zinc/82/62/81/607826281.db2.gz BFGFTOBIFJFXSJ-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824213329 607827718 /nfs/dbraw/zinc/82/77/18/607827718.db2.gz ABVPBSBRZBDSOH-AWEZNQCLSA-N -1 3 378.458 0.097 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824213329 607827719 /nfs/dbraw/zinc/82/77/19/607827719.db2.gz ABVPBSBRZBDSOH-AWEZNQCLSA-N -1 3 378.458 0.097 20 0 GCADHM CCOC(=O)CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000825511688 607827987 /nfs/dbraw/zinc/82/79/87/607827987.db2.gz ANULIAYJAWHIJF-UHFFFAOYSA-N -1 3 379.442 0.668 20 0 GCADHM CCOC(=O)CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000825511688 607827988 /nfs/dbraw/zinc/82/79/88/607827988.db2.gz ANULIAYJAWHIJF-UHFFFAOYSA-N -1 3 379.442 0.668 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCCNC1=O ZINC000825946283 607828101 /nfs/dbraw/zinc/82/81/01/607828101.db2.gz QZJCBVSFXOWUHA-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCCNC1=O ZINC000825946283 607828102 /nfs/dbraw/zinc/82/81/02/607828102.db2.gz QZJCBVSFXOWUHA-CQSZACIVSA-N -1 3 378.458 0.241 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824906203 607828115 /nfs/dbraw/zinc/82/81/15/607828115.db2.gz AYQFYBULCBTUIE-WCQYABFASA-N -1 3 378.458 0.226 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824906203 607828116 /nfs/dbraw/zinc/82/81/16/607828116.db2.gz AYQFYBULCBTUIE-WCQYABFASA-N -1 3 378.458 0.226 20 0 GCADHM O=S(=O)(CCN1CCN(CC(F)F)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484578 607828434 /nfs/dbraw/zinc/82/84/34/607828434.db2.gz IHTYANMOVDCWSB-UHFFFAOYSA-N -1 3 386.428 0.523 20 0 GCADHM O=S(=O)(CCN1CCN(CC(F)F)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484578 607828435 /nfs/dbraw/zinc/82/84/35/607828435.db2.gz IHTYANMOVDCWSB-UHFFFAOYSA-N -1 3 386.428 0.523 20 0 GCADHM COC(=O)[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826133656 607828459 /nfs/dbraw/zinc/82/84/59/607828459.db2.gz NSSJUQLRZSCXKN-CYBMUJFWSA-N -1 3 379.442 0.525 20 0 GCADHM COC(=O)[C@@H]1CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826133656 607828460 /nfs/dbraw/zinc/82/84/60/607828460.db2.gz NSSJUQLRZSCXKN-CYBMUJFWSA-N -1 3 379.442 0.525 20 0 GCADHM O=S(=O)(CCN1CC[C@H](N2CCOCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484518 607829325 /nfs/dbraw/zinc/82/93/25/607829325.db2.gz GKYPGPLNVGZFTL-HNNXBMFYSA-N -1 3 392.485 0.047 20 0 GCADHM O=S(=O)(CCN1CC[C@H](N2CCOCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484518 607829326 /nfs/dbraw/zinc/82/93/26/607829326.db2.gz GKYPGPLNVGZFTL-HNNXBMFYSA-N -1 3 392.485 0.047 20 0 GCADHM COC(=O)[C@@H]1CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000826133044 607830032 /nfs/dbraw/zinc/83/00/32/607830032.db2.gz JCQOBAJSDFABRO-BXUZGUMPSA-N -1 3 379.442 0.381 20 0 GCADHM COC(=O)[C@@H]1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000826133044 607830033 /nfs/dbraw/zinc/83/00/33/607830033.db2.gz JCQOBAJSDFABRO-BXUZGUMPSA-N -1 3 379.442 0.381 20 0 GCADHM O=S(=O)(CCN1CCS[C@H]2COCC[C@H]21)c1cccc(-c2nnn[n-]2)c1 ZINC000826484944 607830343 /nfs/dbraw/zinc/83/03/43/607830343.db2.gz VTDBRIHVKRARHC-CABCVRRESA-N -1 3 395.510 0.847 20 0 GCADHM O=S(=O)(CCN1CCS[C@H]2COCC[C@H]21)c1cccc(-c2nn[n-]n2)c1 ZINC000826484944 607830344 /nfs/dbraw/zinc/83/03/44/607830344.db2.gz VTDBRIHVKRARHC-CABCVRRESA-N -1 3 395.510 0.847 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000826455949 607836504 /nfs/dbraw/zinc/83/65/04/607836504.db2.gz KJYIVIGFYDRKPY-HOTGVXAUSA-N -1 3 396.407 0.406 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000826455949 607836505 /nfs/dbraw/zinc/83/65/05/607836505.db2.gz KJYIVIGFYDRKPY-HOTGVXAUSA-N -1 3 396.407 0.406 20 0 GCADHM CC[C@H](CCOC)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825114721 607836665 /nfs/dbraw/zinc/83/66/65/607836665.db2.gz PJAVDFDWKIEXEX-WCQYABFASA-N -1 3 397.457 0.892 20 0 GCADHM CC[C@H](CCOC)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825114721 607836666 /nfs/dbraw/zinc/83/66/66/607836666.db2.gz PJAVDFDWKIEXEX-WCQYABFASA-N -1 3 397.457 0.892 20 0 GCADHM NC(=O)C1CCN(c2ncccc2CNc2cnccc2-c2nnn[n-]2)CC1 ZINC000826389941 607841522 /nfs/dbraw/zinc/84/15/22/607841522.db2.gz LWFSBORYCUVJDJ-UHFFFAOYSA-N -1 3 379.428 0.971 20 0 GCADHM NC(=O)C1CCN(c2ncccc2CNc2cnccc2-c2nn[n-]n2)CC1 ZINC000826389941 607841523 /nfs/dbraw/zinc/84/15/23/607841523.db2.gz LWFSBORYCUVJDJ-UHFFFAOYSA-N -1 3 379.428 0.971 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)[C@H]2C1 ZINC000826145503 607852837 /nfs/dbraw/zinc/85/28/37/607852837.db2.gz HQHNGTGHGOHBMO-KWCYVHTRSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)[C@H]2C1 ZINC000826145503 607852838 /nfs/dbraw/zinc/85/28/38/607852838.db2.gz HQHNGTGHGOHBMO-KWCYVHTRSA-N -1 3 379.442 0.824 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)[C@H]2C1 ZINC000826145824 607852946 /nfs/dbraw/zinc/85/29/46/607852946.db2.gz MQHLNIBFOCQSBC-XBFCOCLRSA-N -1 3 397.432 0.963 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)[C@H]2C1 ZINC000826145824 607852947 /nfs/dbraw/zinc/85/29/47/607852947.db2.gz MQHLNIBFOCQSBC-XBFCOCLRSA-N -1 3 397.432 0.963 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)[C@@H]2C1 ZINC000826145823 607853007 /nfs/dbraw/zinc/85/30/07/607853007.db2.gz MQHLNIBFOCQSBC-MRVWCRGKSA-N -1 3 397.432 0.963 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)[C@@H]2C1 ZINC000826145823 607853008 /nfs/dbraw/zinc/85/30/08/607853008.db2.gz MQHLNIBFOCQSBC-MRVWCRGKSA-N -1 3 397.432 0.963 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000823972581 607857643 /nfs/dbraw/zinc/85/76/43/607857643.db2.gz CPHDTSWGHAGHSB-CYBMUJFWSA-N -1 3 375.433 0.815 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC000826145702 607859034 /nfs/dbraw/zinc/85/90/34/607859034.db2.gz LBFUQOCAGBVQEV-ZACQAIPSSA-N -1 3 386.456 0.751 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC000826145702 607859035 /nfs/dbraw/zinc/85/90/35/607859035.db2.gz LBFUQOCAGBVQEV-ZACQAIPSSA-N -1 3 386.456 0.751 20 0 GCADHM CN(C)c1cccc(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC000825879381 607859788 /nfs/dbraw/zinc/85/97/88/607859788.db2.gz MAMXKXYNXOPUTC-UHFFFAOYSA-N -1 3 382.432 0.634 20 0 GCADHM CN(C)c1cccc(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC000825879381 607859789 /nfs/dbraw/zinc/85/97/89/607859789.db2.gz MAMXKXYNXOPUTC-UHFFFAOYSA-N -1 3 382.432 0.634 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CO)CC1CC1 ZINC000824319638 607860336 /nfs/dbraw/zinc/86/03/36/607860336.db2.gz WRXNENGLDQBGIF-ZDUSSCGKSA-N -1 3 388.428 0.870 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CO)CC1CC1 ZINC000824319638 607860337 /nfs/dbraw/zinc/86/03/37/607860337.db2.gz WRXNENGLDQBGIF-ZDUSSCGKSA-N -1 3 388.428 0.870 20 0 GCADHM CN(C)c1cccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000825879408 607860712 /nfs/dbraw/zinc/86/07/12/607860712.db2.gz MOSGMVJDEDCLPF-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM CN(C)c1cccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000825879408 607860713 /nfs/dbraw/zinc/86/07/13/607860713.db2.gz MOSGMVJDEDCLPF-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM O[C@@H](COc1ccc(Br)cc1-c1nnn[n-]1)CN1CCOCC1 ZINC000826505466 607874671 /nfs/dbraw/zinc/87/46/71/607874671.db2.gz WHZALGKQATUSBU-LLVKDONJSA-N -1 3 384.234 0.701 20 0 GCADHM O[C@@H](COc1ccc(Br)cc1-c1nn[n-]n1)CN1CCOCC1 ZINC000826505466 607874672 /nfs/dbraw/zinc/87/46/72/607874672.db2.gz WHZALGKQATUSBU-LLVKDONJSA-N -1 3 384.234 0.701 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)co1 ZINC000825875132 607881383 /nfs/dbraw/zinc/88/13/83/607881383.db2.gz ADPPMRMCZUQIOS-UHFFFAOYSA-N -1 3 376.398 0.640 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)co1 ZINC000825875132 607881384 /nfs/dbraw/zinc/88/13/84/607881384.db2.gz ADPPMRMCZUQIOS-UHFFFAOYSA-N -1 3 376.398 0.640 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000826186237 607889653 /nfs/dbraw/zinc/88/96/53/607889653.db2.gz KKUPERUZYMIJBI-UHFFFAOYSA-N -1 3 392.397 0.971 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1coc(S(=O)(=O)N(C)C)c1 ZINC000826186237 607889654 /nfs/dbraw/zinc/88/96/54/607889654.db2.gz KKUPERUZYMIJBI-UHFFFAOYSA-N -1 3 392.397 0.971 20 0 GCADHM NS(=O)(=O)[C@H]1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)C1 ZINC000826394223 607899376 /nfs/dbraw/zinc/89/93/76/607899376.db2.gz BOELRARXYZJSDL-ZETCQYMHSA-N -1 3 381.368 0.560 20 0 GCADHM NS(=O)(=O)[C@H]1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)C1 ZINC000826394223 607899377 /nfs/dbraw/zinc/89/93/77/607899377.db2.gz BOELRARXYZJSDL-ZETCQYMHSA-N -1 3 381.368 0.560 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)co1 ZINC000825875667 607906329 /nfs/dbraw/zinc/90/63/29/607906329.db2.gz UPXOMOXBLSORMH-UHFFFAOYSA-N -1 3 394.388 0.779 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)co1 ZINC000825875667 607906330 /nfs/dbraw/zinc/90/63/30/607906330.db2.gz UPXOMOXBLSORMH-UHFFFAOYSA-N -1 3 394.388 0.779 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NC[C@H](CO)Cc1ccco1 ZINC000826486448 607906413 /nfs/dbraw/zinc/90/64/13/607906413.db2.gz CPAOIMFJYRAXDI-CYBMUJFWSA-N -1 3 377.426 0.730 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NC[C@H](CO)Cc1ccco1 ZINC000826486448 607906414 /nfs/dbraw/zinc/90/64/14/607906414.db2.gz CPAOIMFJYRAXDI-CYBMUJFWSA-N -1 3 377.426 0.730 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825210629 607906968 /nfs/dbraw/zinc/90/69/68/607906968.db2.gz IPMRZQBDGZNGRJ-WFASDCNBSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@H]1CN(C(C)=O)CC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825210629 607906969 /nfs/dbraw/zinc/90/69/69/607906969.db2.gz IPMRZQBDGZNGRJ-WFASDCNBSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)C(=O)NCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824177854 607907432 /nfs/dbraw/zinc/90/74/32/607907432.db2.gz LBVHOPVOBLPWKU-UHFFFAOYSA-N -1 3 386.865 0.961 20 0 GCADHM CC(C)C(=O)NCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824177854 607907433 /nfs/dbraw/zinc/90/74/33/607907433.db2.gz LBVHOPVOBLPWKU-UHFFFAOYSA-N -1 3 386.865 0.961 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826160249 607907834 /nfs/dbraw/zinc/90/78/34/607907834.db2.gz KWCKAGIFCTXPIU-AWEZNQCLSA-N -1 3 396.473 0.322 20 0 GCADHM COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826160249 607907835 /nfs/dbraw/zinc/90/78/35/607907835.db2.gz KWCKAGIFCTXPIU-AWEZNQCLSA-N -1 3 396.473 0.322 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000824178367 607914871 /nfs/dbraw/zinc/91/48/71/607914871.db2.gz RIUZVZOPYJXGFP-UHFFFAOYSA-N -1 3 397.443 0.527 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000824178367 607914872 /nfs/dbraw/zinc/91/48/72/607914872.db2.gz RIUZVZOPYJXGFP-UHFFFAOYSA-N -1 3 397.443 0.527 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cccc(-n2ccnn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389409 607916843 /nfs/dbraw/zinc/91/68/43/607916843.db2.gz XIWFGRTTWRWZJU-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cccc(-n2ccnn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389409 607916844 /nfs/dbraw/zinc/91/68/44/607916844.db2.gz XIWFGRTTWRWZJU-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM CCN(Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000825434498 607924384 /nfs/dbraw/zinc/92/43/84/607924384.db2.gz ADKCZYPAAPILKE-GFCCVEGCSA-N -1 3 379.442 0.662 20 0 GCADHM CCN(Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000825434498 607924385 /nfs/dbraw/zinc/92/43/85/607924385.db2.gz ADKCZYPAAPILKE-GFCCVEGCSA-N -1 3 379.442 0.662 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000826090527 607925449 /nfs/dbraw/zinc/92/54/49/607925449.db2.gz IITRERSBIFSIDP-GFCCVEGCSA-N -1 3 394.457 0.167 20 0 GCADHM C[C@@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824716257 607929378 /nfs/dbraw/zinc/92/93/78/607929378.db2.gz XHTLMXDTPKYSKW-GHMZBOCLSA-N -1 3 391.409 0.685 20 0 GCADHM C[C@@H](OC(=O)C[C@H]1C=CS(=O)(=O)C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824716257 607929379 /nfs/dbraw/zinc/92/93/79/607929379.db2.gz XHTLMXDTPKYSKW-GHMZBOCLSA-N -1 3 391.409 0.685 20 0 GCADHM C[C@@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824716258 607929507 /nfs/dbraw/zinc/92/95/07/607929507.db2.gz XHTLMXDTPKYSKW-MNOVXSKESA-N -1 3 391.409 0.685 20 0 GCADHM C[C@@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824716258 607929508 /nfs/dbraw/zinc/92/95/08/607929508.db2.gz XHTLMXDTPKYSKW-MNOVXSKESA-N -1 3 391.409 0.685 20 0 GCADHM Cn1c2cccc(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)c2oc1=O ZINC000826354541 607933086 /nfs/dbraw/zinc/93/30/86/607933086.db2.gz JFSCSIRKMCZGJJ-UHFFFAOYSA-N -1 3 380.368 0.549 20 0 GCADHM Cn1c2cccc(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)c2oc1=O ZINC000826354541 607933087 /nfs/dbraw/zinc/93/30/87/607933087.db2.gz JFSCSIRKMCZGJJ-UHFFFAOYSA-N -1 3 380.368 0.549 20 0 GCADHM COCCn1cc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cn1 ZINC000826163783 607933393 /nfs/dbraw/zinc/93/33/93/607933393.db2.gz LEPCUVYFGRICDM-UHFFFAOYSA-N -1 3 375.414 0.461 20 0 GCADHM COCCn1cc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cn1 ZINC000826163783 607933394 /nfs/dbraw/zinc/93/33/94/607933394.db2.gz LEPCUVYFGRICDM-UHFFFAOYSA-N -1 3 375.414 0.461 20 0 GCADHM O=C1COc2ccc(S(=O)(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)cc2N1 ZINC000826482263 607933522 /nfs/dbraw/zinc/93/35/22/607933522.db2.gz XZGDHEBGBHKOGI-UHFFFAOYSA-N -1 3 398.404 0.949 20 0 GCADHM O=C1COc2ccc(S(=O)(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)cc2N1 ZINC000826482263 607933523 /nfs/dbraw/zinc/93/35/23/607933523.db2.gz XZGDHEBGBHKOGI-UHFFFAOYSA-N -1 3 398.404 0.949 20 0 GCADHM O=C1[N-]C(=O)c2cc(S(=O)(=O)N3CCc4ccc(-c5nn[nH]n5)cc43)ccc21 ZINC000826481945 607933543 /nfs/dbraw/zinc/93/35/43/607933543.db2.gz NCZWSKCORMIMBA-UHFFFAOYSA-N -1 3 396.388 0.502 20 0 GCADHM O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826496115 607934011 /nfs/dbraw/zinc/93/40/11/607934011.db2.gz LICJHCCCXHOXFW-ZDUSSCGKSA-N -1 3 387.425 0.776 20 0 GCADHM O=S(=O)(c1cnn([C@H]2CCOC2)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826496115 607934012 /nfs/dbraw/zinc/93/40/12/607934012.db2.gz LICJHCCCXHOXFW-ZDUSSCGKSA-N -1 3 387.425 0.776 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825659653 607937106 /nfs/dbraw/zinc/93/71/06/607937106.db2.gz YBQUHUXXFSEGEO-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825659653 607937107 /nfs/dbraw/zinc/93/71/07/607937107.db2.gz YBQUHUXXFSEGEO-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825659415 607937340 /nfs/dbraw/zinc/93/73/40/607937340.db2.gz SIRDHYLMLZWQQJ-QMMMGPOBSA-N -1 3 393.878 0.622 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825659415 607937341 /nfs/dbraw/zinc/93/73/41/607937341.db2.gz SIRDHYLMLZWQQJ-QMMMGPOBSA-N -1 3 393.878 0.622 20 0 GCADHM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccncc1-c1nnn[n-]1)C2=O ZINC000824874676 607939771 /nfs/dbraw/zinc/93/97/71/607939771.db2.gz FUTWLCRJQPDVSQ-XGISUXEOSA-N -1 3 398.427 0.369 20 0 GCADHM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccncc1-c1nn[n-]n1)C2=O ZINC000824874676 607939772 /nfs/dbraw/zinc/93/97/72/607939772.db2.gz FUTWLCRJQPDVSQ-XGISUXEOSA-N -1 3 398.427 0.369 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N(CCO)CCOCC(F)(F)F ZINC000826413264 607942510 /nfs/dbraw/zinc/94/25/10/607942510.db2.gz XVBVBELQYLHZTO-UHFFFAOYSA-N -1 3 388.350 0.678 20 0 GCADHM O=S(=O)(CCN1CCC(OCCO)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826484893 607942687 /nfs/dbraw/zinc/94/26/87/607942687.db2.gz TYDVCDUQYIRZLW-UHFFFAOYSA-N -1 3 381.458 0.114 20 0 GCADHM O=S(=O)(CCN1CCC(OCCO)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826484893 607942688 /nfs/dbraw/zinc/94/26/88/607942688.db2.gz TYDVCDUQYIRZLW-UHFFFAOYSA-N -1 3 381.458 0.114 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)cn1 ZINC000826359149 607944207 /nfs/dbraw/zinc/94/42/07/607944207.db2.gz XZVCYXHASDEVOY-GFCCVEGCSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)cn1 ZINC000826359149 607944208 /nfs/dbraw/zinc/94/42/08/607944208.db2.gz XZVCYXHASDEVOY-GFCCVEGCSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000826359012 607944366 /nfs/dbraw/zinc/94/43/66/607944366.db2.gz RPEAKYIFDWHSJA-GFCCVEGCSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000826359012 607944367 /nfs/dbraw/zinc/94/43/67/607944367.db2.gz RPEAKYIFDWHSJA-GFCCVEGCSA-N -1 3 390.791 0.042 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)C1=O ZINC000824816315 607946920 /nfs/dbraw/zinc/94/69/20/607946920.db2.gz BLDSGOBWKYIYFQ-GOSISDBHSA-N -1 3 381.396 0.476 20 0 GCADHM C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)C1=O ZINC000824816315 607946921 /nfs/dbraw/zinc/94/69/21/607946921.db2.gz BLDSGOBWKYIYFQ-GOSISDBHSA-N -1 3 381.396 0.476 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826482191 607948589 /nfs/dbraw/zinc/94/85/89/607948589.db2.gz VGLFJSOAPLMEQV-UHFFFAOYSA-N -1 3 381.396 0.620 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826482191 607948590 /nfs/dbraw/zinc/94/85/90/607948590.db2.gz VGLFJSOAPLMEQV-UHFFFAOYSA-N -1 3 381.396 0.620 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826233538 607948754 /nfs/dbraw/zinc/94/87/54/607948754.db2.gz LSBYUZNRNOARMK-UHFFFAOYSA-N -1 3 376.380 0.643 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826233538 607948755 /nfs/dbraw/zinc/94/87/55/607948755.db2.gz LSBYUZNRNOARMK-UHFFFAOYSA-N -1 3 376.380 0.643 20 0 GCADHM NS(=O)(=O)Cc1cccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826394343 607949174 /nfs/dbraw/zinc/94/91/74/607949174.db2.gz GQAOBPIEBJGYKD-UHFFFAOYSA-N -1 3 384.421 0.858 20 0 GCADHM NS(=O)(=O)Cc1cccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826394343 607949175 /nfs/dbraw/zinc/94/91/75/607949175.db2.gz GQAOBPIEBJGYKD-UHFFFAOYSA-N -1 3 384.421 0.858 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826223647 607951627 /nfs/dbraw/zinc/95/16/27/607951627.db2.gz UWXIBNQMQWFGAS-ZDUSSCGKSA-N -1 3 376.442 0.570 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826223647 607951628 /nfs/dbraw/zinc/95/16/28/607951628.db2.gz UWXIBNQMQWFGAS-ZDUSSCGKSA-N -1 3 376.442 0.570 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000824640645 607956329 /nfs/dbraw/zinc/95/63/29/607956329.db2.gz MVRPZRQYQYFPDP-UWVGGRQHSA-N -1 3 390.429 0.134 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000824640645 607956330 /nfs/dbraw/zinc/95/63/30/607956330.db2.gz MVRPZRQYQYFPDP-UWVGGRQHSA-N -1 3 390.429 0.134 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000824633059 607956395 /nfs/dbraw/zinc/95/63/95/607956395.db2.gz GYPYJUFLKCWXQT-VHSXEESVSA-N -1 3 390.429 0.134 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000824633059 607956396 /nfs/dbraw/zinc/95/63/96/607956396.db2.gz GYPYJUFLKCWXQT-VHSXEESVSA-N -1 3 390.429 0.134 20 0 GCADHM O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826433049 607959792 /nfs/dbraw/zinc/95/97/92/607959792.db2.gz SOXSDUSOJRSKDQ-UHFFFAOYSA-N -1 3 392.375 0.915 20 0 GCADHM O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826433049 607959793 /nfs/dbraw/zinc/95/97/93/607959793.db2.gz SOXSDUSOJRSKDQ-UHFFFAOYSA-N -1 3 392.375 0.915 20 0 GCADHM Cn1c2cccc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)c2oc1=O ZINC000826354615 607960169 /nfs/dbraw/zinc/96/01/69/607960169.db2.gz MZIKAWDNUQFSAN-CYBMUJFWSA-N -1 3 394.347 0.695 20 0 GCADHM Cn1c2cccc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)c2oc1=O ZINC000826354615 607960170 /nfs/dbraw/zinc/96/01/70/607960170.db2.gz MZIKAWDNUQFSAN-CYBMUJFWSA-N -1 3 394.347 0.695 20 0 GCADHM NC(=O)c1ccc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826393381 607963775 /nfs/dbraw/zinc/96/37/75/607963775.db2.gz PPHIASKREGTGHM-HNNXBMFYSA-N -1 3 378.396 0.968 20 0 GCADHM CC(=O)N1CCOC[C@@H]1C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823980311 607963976 /nfs/dbraw/zinc/96/39/76/607963976.db2.gz AXDSRUWDWUXPHU-QGZVFWFLSA-N -1 3 399.455 0.153 20 0 GCADHM CC(=O)N1CCOC[C@@H]1C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823980311 607963977 /nfs/dbraw/zinc/96/39/77/607963977.db2.gz AXDSRUWDWUXPHU-QGZVFWFLSA-N -1 3 399.455 0.153 20 0 GCADHM O=S(=O)(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccccn1 ZINC000826488000 607970835 /nfs/dbraw/zinc/97/08/35/607970835.db2.gz GKXCUEIOWFIABE-UHFFFAOYSA-N -1 3 386.441 0.604 20 0 GCADHM O=S(=O)(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826489031 607971625 /nfs/dbraw/zinc/97/16/25/607971625.db2.gz GFXHKHTXGBYAPS-HIFRSBDPSA-N -1 3 375.385 0.942 20 0 GCADHM C[C@H](Oc1cccc(OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1)C(N)=O ZINC000824745691 607973176 /nfs/dbraw/zinc/97/31/76/607973176.db2.gz SNPRCKKNIGIHIC-LBPRGKRZSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@H](Oc1cccc(OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000824745691 607973177 /nfs/dbraw/zinc/97/31/77/607973177.db2.gz SNPRCKKNIGIHIC-LBPRGKRZSA-N -1 3 396.407 0.815 20 0 GCADHM CN1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)[C@@H]1c1ccccc1 ZINC000826028620 607973330 /nfs/dbraw/zinc/97/33/30/607973330.db2.gz DMVWQVMTEVYKGB-HOCLYGCPSA-N -1 3 385.453 0.985 20 0 GCADHM CN1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)[C@@H]1c1ccccc1 ZINC000826028620 607973331 /nfs/dbraw/zinc/97/33/31/607973331.db2.gz DMVWQVMTEVYKGB-HOCLYGCPSA-N -1 3 385.453 0.985 20 0 GCADHM CC1(C)CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)(C(N)=O)CC1 ZINC000824801987 607976543 /nfs/dbraw/zinc/97/65/43/607976543.db2.gz IYXGQHOCYKMABP-UHFFFAOYSA-N -1 3 378.458 0.969 20 0 GCADHM CC1(C)CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)(C(N)=O)CC1 ZINC000824801987 607976544 /nfs/dbraw/zinc/97/65/44/607976544.db2.gz IYXGQHOCYKMABP-UHFFFAOYSA-N -1 3 378.458 0.969 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000825799485 607977750 /nfs/dbraw/zinc/97/77/50/607977750.db2.gz MJKSGAAGTQGAHH-UHFFFAOYSA-N -1 3 381.400 0.010 20 0 GCADHM CCn1cc(C(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000825799485 607977751 /nfs/dbraw/zinc/97/77/51/607977751.db2.gz MJKSGAAGTQGAHH-UHFFFAOYSA-N -1 3 381.400 0.010 20 0 GCADHM COCC(=O)N(C)CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826147823 607979494 /nfs/dbraw/zinc/97/94/94/607979494.db2.gz MZGSOGOBNSAGKX-UHFFFAOYSA-N -1 3 385.327 0.616 20 0 GCADHM COCC(=O)N(C)CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826147823 607979495 /nfs/dbraw/zinc/97/94/95/607979495.db2.gz MZGSOGOBNSAGKX-UHFFFAOYSA-N -1 3 385.327 0.616 20 0 GCADHM CCn1cc(C(=O)C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)cn1 ZINC000825799487 607980463 /nfs/dbraw/zinc/98/04/63/607980463.db2.gz MKAACJBFWOXYRG-UHFFFAOYSA-N -1 3 375.370 0.509 20 0 GCADHM CCn1cc(C(=O)C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)cn1 ZINC000825799487 607980464 /nfs/dbraw/zinc/98/04/64/607980464.db2.gz MKAACJBFWOXYRG-UHFFFAOYSA-N -1 3 375.370 0.509 20 0 GCADHM CCc1onc(C)c1NC(=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000825776295 607980949 /nfs/dbraw/zinc/98/09/49/607980949.db2.gz FHJOXHXJZXQXCR-UHFFFAOYSA-N -1 3 385.388 0.287 20 0 GCADHM CCc1onc(C)c1NC(=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000825776295 607980950 /nfs/dbraw/zinc/98/09/50/607980950.db2.gz FHJOXHXJZXQXCR-UHFFFAOYSA-N -1 3 385.388 0.287 20 0 GCADHM Cn1cnc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826364982 607981364 /nfs/dbraw/zinc/98/13/64/607981364.db2.gz VMBXGWIYLBXFQU-ZDUSSCGKSA-N -1 3 384.425 0.754 20 0 GCADHM Cn1cnc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826364982 607981365 /nfs/dbraw/zinc/98/13/65/607981365.db2.gz VMBXGWIYLBXFQU-ZDUSSCGKSA-N -1 3 384.425 0.754 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000824670496 607982395 /nfs/dbraw/zinc/98/23/95/607982395.db2.gz QBBHXKFYXQIDDT-SFHVURJKSA-N -1 3 384.371 0.968 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000824670496 607982396 /nfs/dbraw/zinc/98/23/96/607982396.db2.gz QBBHXKFYXQIDDT-SFHVURJKSA-N -1 3 384.371 0.968 20 0 GCADHM C[C@@H](CO)CCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000824433706 607982478 /nfs/dbraw/zinc/98/24/78/607982478.db2.gz HDSOTIKZOLAVKE-SECBINFHSA-N -1 3 398.370 0.931 20 0 GCADHM C[C@@H](CO)CCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000824433706 607982479 /nfs/dbraw/zinc/98/24/79/607982479.db2.gz HDSOTIKZOLAVKE-SECBINFHSA-N -1 3 398.370 0.931 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N(C)CC(C)(CO)CO ZINC000824052267 607984861 /nfs/dbraw/zinc/98/48/61/607984861.db2.gz MMMXDDYEALWWKI-JTQLQIEISA-N -1 3 394.501 0.667 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N(C)CC(C)(CO)CO ZINC000824052267 607984863 /nfs/dbraw/zinc/98/48/63/607984863.db2.gz MMMXDDYEALWWKI-JTQLQIEISA-N -1 3 394.501 0.667 20 0 GCADHM Cc1cc(N2CCN(C(=O)CO)CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826269499 607987390 /nfs/dbraw/zinc/98/73/90/607987390.db2.gz ODWRBVXFQQXMJE-UHFFFAOYSA-N -1 3 392.423 0.617 20 0 GCADHM Cc1cc(N2CCN(C(=O)CO)CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826269499 607987391 /nfs/dbraw/zinc/98/73/91/607987391.db2.gz ODWRBVXFQQXMJE-UHFFFAOYSA-N -1 3 392.423 0.617 20 0 GCADHM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)Nc1ncccc1-c1nnn[n-]1 ZINC000826391642 607987510 /nfs/dbraw/zinc/98/75/10/607987510.db2.gz UZJCLIVVKXGBCP-CQSZACIVSA-N -1 3 380.412 0.277 20 0 GCADHM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)Nc1ncccc1-c1nn[n-]n1 ZINC000826391642 607987511 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CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CN(C)C(=O)COC ZINC000825609314 608000724 /nfs/dbraw/zinc/00/07/24/608000724.db2.gz JLQXGLNZFCYQCX-UHFFFAOYSA-N -1 3 383.792 0.929 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000826256203 608001112 /nfs/dbraw/zinc/00/11/12/608001112.db2.gz YRSOKMAGLLXOKV-AWEZNQCLSA-N -1 3 378.458 0.270 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000826256203 608001113 /nfs/dbraw/zinc/00/11/13/608001113.db2.gz YRSOKMAGLLXOKV-AWEZNQCLSA-N -1 3 378.458 0.270 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826227125 608001130 /nfs/dbraw/zinc/00/11/30/608001130.db2.gz MEHSGTNVKUBWEN-XCBNKYQSSA-N -1 3 377.879 0.911 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826227125 608001131 /nfs/dbraw/zinc/00/11/31/608001131.db2.gz MEHSGTNVKUBWEN-XCBNKYQSSA-N -1 3 377.879 0.911 20 0 GCADHM C[C@]1(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CCS(=O)(=O)C1 ZINC000824836661 608001166 /nfs/dbraw/zinc/00/11/66/608001166.db2.gz AXCDMKOMIGWOGM-ZDUSSCGKSA-N -1 3 389.434 0.002 20 0 GCADHM C[C@]1(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCS(=O)(=O)C1 ZINC000824836661 608001167 /nfs/dbraw/zinc/00/11/67/608001167.db2.gz AXCDMKOMIGWOGM-ZDUSSCGKSA-N -1 3 389.434 0.002 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825839060 608001564 /nfs/dbraw/zinc/00/15/64/608001564.db2.gz FGRYJCLBPOYZGP-ZDUSSCGKSA-N -1 3 382.421 0.388 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825839060 608001565 /nfs/dbraw/zinc/00/15/65/608001565.db2.gz FGRYJCLBPOYZGP-ZDUSSCGKSA-N -1 3 382.421 0.388 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCC[C@H](C)CO ZINC000824436504 608005472 /nfs/dbraw/zinc/00/54/72/608005472.db2.gz SPYKKVZHWYTSHF-NWDGAFQWSA-N -1 3 396.473 0.058 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCC[C@H](C)CO ZINC000824436504 608005473 /nfs/dbraw/zinc/00/54/73/608005473.db2.gz SPYKKVZHWYTSHF-NWDGAFQWSA-N -1 3 396.473 0.058 20 0 GCADHM COC(=O)[C@]1(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)CCSC1 ZINC000826123352 608006190 /nfs/dbraw/zinc/00/61/90/608006190.db2.gz DLKMDYALFGWKDU-QFYYESIMSA-N -1 3 377.426 0.799 20 0 GCADHM COC(=O)[C@]1(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)CCSC1 ZINC000826123352 608006191 /nfs/dbraw/zinc/00/61/91/608006191.db2.gz DLKMDYALFGWKDU-QFYYESIMSA-N -1 3 377.426 0.799 20 0 GCADHM O=C(CNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1)NCCO ZINC000826411724 608006608 /nfs/dbraw/zinc/00/66/08/608006608.db2.gz KGLXQWDBMKBPPL-UHFFFAOYSA-N -1 3 398.383 0.284 20 0 GCADHM COCC1(O)CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC000826153235 608007975 /nfs/dbraw/zinc/00/79/75/608007975.db2.gz GGJWGVLQOUHXAA-UHFFFAOYSA-N -1 3 377.401 0.254 20 0 GCADHM COCC1(O)CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC000826153235 608007976 /nfs/dbraw/zinc/00/79/76/608007976.db2.gz GGJWGVLQOUHXAA-UHFFFAOYSA-N -1 3 377.401 0.254 20 0 GCADHM COC[C@H](NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C(N)=O ZINC000826150594 608008544 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GCADHM O=S1(=O)CC[C@H](CCN2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826496413 608032781 /nfs/dbraw/zinc/03/27/81/608032781.db2.gz VRQNALPZQRCFRO-INIZCTEOSA-N -1 3 390.513 0.809 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(F)(F)F ZINC000824670573 608038670 /nfs/dbraw/zinc/03/86/70/608038670.db2.gz RKBRAFFCNACUFS-GFCCVEGCSA-N -1 3 392.725 0.888 20 0 GCADHM C[C@@](O)(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(F)(F)F ZINC000824670573 608038671 /nfs/dbraw/zinc/03/86/71/608038671.db2.gz RKBRAFFCNACUFS-GFCCVEGCSA-N -1 3 392.725 0.888 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000824633798 608038766 /nfs/dbraw/zinc/03/87/66/608038766.db2.gz QIYNJEYCNQETQU-WDEREUQCSA-N -1 3 389.441 0.739 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000824633798 608038767 /nfs/dbraw/zinc/03/87/67/608038767.db2.gz QIYNJEYCNQETQU-WDEREUQCSA-N -1 3 389.441 0.739 20 0 GCADHM NS(=O)(=O)C1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000826394736 608040498 /nfs/dbraw/zinc/04/04/98/608040498.db2.gz WYDNDASSSQSGHX-UHFFFAOYSA-N -1 3 388.400 0.721 20 0 GCADHM NS(=O)(=O)C1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000826394736 608040499 /nfs/dbraw/zinc/04/04/99/608040499.db2.gz WYDNDASSSQSGHX-UHFFFAOYSA-N -1 3 388.400 0.721 20 0 GCADHM CC(C)NC(=O)CNC(=S)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824300645 608046928 /nfs/dbraw/zinc/04/69/28/608046928.db2.gz IMYBAYMWZHAOQU-AWEZNQCLSA-N -1 3 389.485 0.639 20 0 GCADHM CC(C)NC(=O)CNC(=S)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824300645 608046929 /nfs/dbraw/zinc/04/69/29/608046929.db2.gz IMYBAYMWZHAOQU-AWEZNQCLSA-N -1 3 389.485 0.639 20 0 GCADHM O=C(NCCN1CCOCC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826437565 608048128 /nfs/dbraw/zinc/04/81/28/608048128.db2.gz RCSPUTDBFKFJFQ-INIZCTEOSA-N -1 3 387.444 0.282 20 0 GCADHM O=C(NCCN1CCOCC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826437565 608048129 /nfs/dbraw/zinc/04/81/29/608048129.db2.gz RCSPUTDBFKFJFQ-INIZCTEOSA-N -1 3 387.444 0.282 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)c1nncn1C ZINC000824488709 608048615 /nfs/dbraw/zinc/04/86/15/608048615.db2.gz HLYBPNNZZUPONG-FZMZJTMJSA-N -1 3 383.416 0.839 20 0 GCADHM C[C@H](NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)c1nncn1C ZINC000824488709 608048616 /nfs/dbraw/zinc/04/86/16/608048616.db2.gz HLYBPNNZZUPONG-FZMZJTMJSA-N -1 3 383.416 0.839 20 0 GCADHM O=C(NCc1nnc2n1CCC2)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826443885 608048948 /nfs/dbraw/zinc/04/89/48/608048948.db2.gz IJZCVFCCPMTFHL-AWEZNQCLSA-N -1 3 395.427 0.688 20 0 GCADHM O=C(NCc1nnc2n1CCC2)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826443885 608048949 /nfs/dbraw/zinc/04/89/49/608048949.db2.gz IJZCVFCCPMTFHL-AWEZNQCLSA-N -1 3 395.427 0.688 20 0 GCADHM CNS(=O)(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826083598 608051564 /nfs/dbraw/zinc/05/15/64/608051564.db2.gz OEPUTOWQMROOBI-VIFPVBQESA-N -1 3 387.263 0.757 20 0 GCADHM NS(=O)(=O)c1cccnc1N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826395279 608052612 /nfs/dbraw/zinc/05/26/12/608052612.db2.gz VERDWNDBIRZEIC-ZDUSSCGKSA-N -1 3 387.425 0.487 20 0 GCADHM NS(=O)(=O)c1cccnc1N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826395279 608052613 /nfs/dbraw/zinc/05/26/13/608052613.db2.gz VERDWNDBIRZEIC-ZDUSSCGKSA-N -1 3 387.425 0.487 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824816962 608054561 /nfs/dbraw/zinc/05/45/61/608054561.db2.gz JUYCTRWINPHSCP-BEFAXECRSA-N -1 3 397.439 0.918 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824816962 608054562 /nfs/dbraw/zinc/05/45/62/608054562.db2.gz JUYCTRWINPHSCP-BEFAXECRSA-N -1 3 397.439 0.918 20 0 GCADHM O=S(=O)(N1CCCCC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826487425 608056896 /nfs/dbraw/zinc/05/68/96/608056896.db2.gz OIWBIHIZVYEDRO-OAHLLOKOSA-N -1 3 378.458 0.971 20 0 GCADHM O=S(=O)(N1CCCCC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826487425 608056897 /nfs/dbraw/zinc/05/68/97/608056897.db2.gz OIWBIHIZVYEDRO-OAHLLOKOSA-N -1 3 378.458 0.971 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824464528 608062475 /nfs/dbraw/zinc/06/24/75/608062475.db2.gz HNBDZQHOROCPRT-WFASDCNBSA-N -1 3 383.416 0.630 20 0 GCADHM C[C@@H](Cn1cncn1)NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824464528 608062476 /nfs/dbraw/zinc/06/24/76/608062476.db2.gz HNBDZQHOROCPRT-WFASDCNBSA-N -1 3 383.416 0.630 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824297694 608063182 /nfs/dbraw/zinc/06/31/82/608063182.db2.gz ZAXKYPBANJSPIE-HZPDHXFCSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824297694 608063183 /nfs/dbraw/zinc/06/31/83/608063183.db2.gz ZAXKYPBANJSPIE-HZPDHXFCSA-N -1 3 399.455 0.959 20 0 GCADHM CCc1nncn1CCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825770558 608064399 /nfs/dbraw/zinc/06/43/99/608064399.db2.gz BEQWVLLRBQFXTP-OAHLLOKOSA-N -1 3 397.443 0.804 20 0 GCADHM CCc1nncn1CCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825770558 608064400 /nfs/dbraw/zinc/06/44/00/608064400.db2.gz BEQWVLLRBQFXTP-OAHLLOKOSA-N -1 3 397.443 0.804 20 0 GCADHM CC[S@](=O)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825668484 608064665 /nfs/dbraw/zinc/06/46/65/608064665.db2.gz FYOBYCLMBFMWCJ-PTFIGZPYSA-N -1 3 378.458 0.718 20 0 GCADHM CC[S@](=O)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825668484 608064666 /nfs/dbraw/zinc/06/46/66/608064666.db2.gz FYOBYCLMBFMWCJ-PTFIGZPYSA-N -1 3 378.458 0.718 20 0 GCADHM CN1CCC[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000826028478 608064730 /nfs/dbraw/zinc/06/47/30/608064730.db2.gz AYFQBLAPFGPQTC-GJZGRUSLSA-N -1 3 385.428 0.570 20 0 GCADHM CN1CCC[C@H](NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000826028478 608064731 /nfs/dbraw/zinc/06/47/31/608064731.db2.gz AYFQBLAPFGPQTC-GJZGRUSLSA-N -1 3 385.428 0.570 20 0 GCADHM NC(=O)C1CCC(NC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC000826389742 608064838 /nfs/dbraw/zinc/06/48/38/608064838.db2.gz HKBAWOSLJDBUQC-MOQPWLNLSA-N -1 3 399.455 0.994 20 0 GCADHM NC(=O)C1CCC(NC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000826389742 608064839 /nfs/dbraw/zinc/06/48/39/608064839.db2.gz HKBAWOSLJDBUQC-MOQPWLNLSA-N -1 3 399.455 0.994 20 0 GCADHM CNC(=O)C(C)(C)CNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826050747 608065714 /nfs/dbraw/zinc/06/57/14/608065714.db2.gz CCIYCBZBWOIVJM-AWEZNQCLSA-N -1 3 387.444 0.722 20 0 GCADHM CNC(=O)C(C)(C)CNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826050747 608065715 /nfs/dbraw/zinc/06/57/15/608065715.db2.gz CCIYCBZBWOIVJM-AWEZNQCLSA-N -1 3 387.444 0.722 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824040465 608066693 /nfs/dbraw/zinc/06/66/93/608066693.db2.gz QIVSYIKSMGSCLI-XYPHTWIQSA-N -1 3 386.456 0.924 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824040465 608066694 /nfs/dbraw/zinc/06/66/94/608066694.db2.gz QIVSYIKSMGSCLI-XYPHTWIQSA-N -1 3 386.456 0.924 20 0 GCADHM CCN1CCN(C(=O)[C@@H](C)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000825458666 608067151 /nfs/dbraw/zinc/06/71/51/608067151.db2.gz DBDTUBMKWDKNCN-CRAIPNDOSA-N -1 3 399.499 0.793 20 0 GCADHM CN(C)S(=O)(=O)CCCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825875550 608068191 /nfs/dbraw/zinc/06/81/91/608068191.db2.gz SRVNKCVSHYSZHE-HNNXBMFYSA-N -1 3 380.474 0.522 20 0 GCADHM CN(C)S(=O)(=O)CCCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825875550 608068192 /nfs/dbraw/zinc/06/81/92/608068192.db2.gz SRVNKCVSHYSZHE-HNNXBMFYSA-N -1 3 380.474 0.522 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C[C@@H](C)O1 ZINC000824968498 608071657 /nfs/dbraw/zinc/07/16/57/608071657.db2.gz PSSHXJJNFPQGEX-CPUCHLNUSA-N -1 3 386.456 0.876 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C[C@@H](C)O1 ZINC000824968498 608071658 /nfs/dbraw/zinc/07/16/58/608071658.db2.gz PSSHXJJNFPQGEX-CPUCHLNUSA-N -1 3 386.456 0.876 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1c2c(nn1C)CCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000824470520 608073221 /nfs/dbraw/zinc/07/32/21/608073221.db2.gz JDGOIWWVDCJAQU-SNVBAGLBSA-N -1 3 380.412 0.905 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1c2c(nn1C)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000824470520 608073222 /nfs/dbraw/zinc/07/32/22/608073222.db2.gz JDGOIWWVDCJAQU-SNVBAGLBSA-N -1 3 380.412 0.905 20 0 GCADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)NCC(C)(C)O)c1C ZINC000826331716 608074213 /nfs/dbraw/zinc/07/42/13/608074213.db2.gz VJICUOWOWVPUND-UHFFFAOYSA-N -1 3 398.427 0.495 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2c3c(nn2C)CCC3)cc1-c1nnn[n-]1 ZINC000826196252 608074701 /nfs/dbraw/zinc/07/47/01/608074701.db2.gz VQXIJXKWTSKGGK-UHFFFAOYSA-N -1 3 396.411 0.352 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2c3c(nn2C)CCC3)cc1-c1nn[n-]n1 ZINC000826196252 608074702 /nfs/dbraw/zinc/07/47/02/608074702.db2.gz VQXIJXKWTSKGGK-UHFFFAOYSA-N -1 3 396.411 0.352 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000826330272 608074726 /nfs/dbraw/zinc/07/47/26/608074726.db2.gz MPGPBYKQNYIWIR-OAHLLOKOSA-N -1 3 394.395 0.504 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000826330272 608074727 /nfs/dbraw/zinc/07/47/27/608074727.db2.gz MPGPBYKQNYIWIR-OAHLLOKOSA-N -1 3 394.395 0.504 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826432423 608074920 /nfs/dbraw/zinc/07/49/20/608074920.db2.gz AIIUSVCIKYPLQN-FUHWJXTLSA-N -1 3 393.451 0.875 20 0 GCADHM Cn1nccc1NC(=O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826367147 608075044 /nfs/dbraw/zinc/07/50/44/608075044.db2.gz NUDQPRAVPJLCNL-ZDUSSCGKSA-N -1 3 382.384 0.139 20 0 GCADHM Cn1nccc1NC(=O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826367147 608075045 /nfs/dbraw/zinc/07/50/45/608075045.db2.gz NUDQPRAVPJLCNL-ZDUSSCGKSA-N -1 3 382.384 0.139 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000824908207 608076350 /nfs/dbraw/zinc/07/63/50/608076350.db2.gz NPQRWYNVDWYDQX-NQBHXWOUSA-N -1 3 395.441 0.644 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000824908207 608076351 /nfs/dbraw/zinc/07/63/51/608076351.db2.gz NPQRWYNVDWYDQX-NQBHXWOUSA-N -1 3 395.441 0.644 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(=O)C(C)(C)C ZINC000824633391 608078466 /nfs/dbraw/zinc/07/84/66/608078466.db2.gz MEXQSFKEWVGPRX-SNVBAGLBSA-N -1 3 394.457 0.265 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)C(C)(C)C ZINC000824633391 608078467 /nfs/dbraw/zinc/07/84/67/608078467.db2.gz MEXQSFKEWVGPRX-SNVBAGLBSA-N -1 3 394.457 0.265 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826332767 608079474 /nfs/dbraw/zinc/07/94/74/608079474.db2.gz HCGFMIPWIWXABF-OAHLLOKOSA-N -1 3 395.423 1.000 20 0 GCADHM Cc1nn(C)c(C)c1C(=O)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826332767 608079475 /nfs/dbraw/zinc/07/94/75/608079475.db2.gz HCGFMIPWIWXABF-OAHLLOKOSA-N -1 3 395.423 1.000 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823988340 608082314 /nfs/dbraw/zinc/08/23/14/608082314.db2.gz HJOWVDGAKXBTSH-CABCVRRESA-N -1 3 388.453 0.688 20 0 GCADHM CC(=O)N1CSC[C@@H]1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823988340 608082315 /nfs/dbraw/zinc/08/23/15/608082315.db2.gz HJOWVDGAKXBTSH-CABCVRRESA-N -1 3 388.453 0.688 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824448384 608086929 /nfs/dbraw/zinc/08/69/29/608086929.db2.gz HLUBHGZKCTYVOS-RISCZKNCSA-N -1 3 379.442 0.447 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824448384 608086930 /nfs/dbraw/zinc/08/69/30/608086930.db2.gz HLUBHGZKCTYVOS-RISCZKNCSA-N -1 3 379.442 0.447 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000826103151 608088368 /nfs/dbraw/zinc/08/83/68/608088368.db2.gz DDWYPSYOINAXCX-SECBINFHSA-N -1 3 385.327 0.567 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000826103151 608088369 /nfs/dbraw/zinc/08/83/69/608088369.db2.gz DDWYPSYOINAXCX-SECBINFHSA-N -1 3 385.327 0.567 20 0 GCADHM CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825268792 608088399 /nfs/dbraw/zinc/08/83/99/608088399.db2.gz YLWMBEVMAGLSPY-GJZGRUSLSA-N -1 3 387.444 0.994 20 0 GCADHM CCCC[C@H](NC(N)=O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825268792 608088400 /nfs/dbraw/zinc/08/84/00/608088400.db2.gz YLWMBEVMAGLSPY-GJZGRUSLSA-N -1 3 387.444 0.994 20 0 GCADHM O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000826409953 608088924 /nfs/dbraw/zinc/08/89/24/608088924.db2.gz VWARULLJBHDHSF-GHMZBOCLSA-N -1 3 392.485 0.563 20 0 GCADHM O=C(CN1C[C@H](O)C[C@@H]1CO)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000826409953 608088926 /nfs/dbraw/zinc/08/89/26/608088926.db2.gz VWARULLJBHDHSF-GHMZBOCLSA-N -1 3 392.485 0.563 20 0 GCADHM CC(C)(C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC000824059211 608089315 /nfs/dbraw/zinc/08/93/15/608089315.db2.gz OYOKTRGHBNDGNS-ZDUSSCGKSA-N -1 3 379.442 0.590 20 0 GCADHM CC(C)(C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC000824059211 608089316 /nfs/dbraw/zinc/08/93/16/608089316.db2.gz OYOKTRGHBNDGNS-ZDUSSCGKSA-N -1 3 379.442 0.590 20 0 GCADHM C[C@H](O)c1cn(CC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC000824706941 608089926 /nfs/dbraw/zinc/08/99/26/608089926.db2.gz MEWKGXRAZNSACZ-XHDPSFHLSA-N -1 3 384.400 0.112 20 0 GCADHM C[C@H](O)c1cn(CC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC000824706941 608089927 /nfs/dbraw/zinc/08/99/27/608089927.db2.gz MEWKGXRAZNSACZ-XHDPSFHLSA-N -1 3 384.400 0.112 20 0 GCADHM O=C(CCCN1C(=O)CNC1=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826406270 608090493 /nfs/dbraw/zinc/09/04/93/608090493.db2.gz PBFFBSBGKYNMBH-AWEZNQCLSA-N -1 3 399.411 0.099 20 0 GCADHM O=C(CCCN1C(=O)CNC1=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826406270 608090494 /nfs/dbraw/zinc/09/04/94/608090494.db2.gz PBFFBSBGKYNMBH-AWEZNQCLSA-N -1 3 399.411 0.099 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000826158449 608101995 /nfs/dbraw/zinc/10/19/95/608101995.db2.gz PIYVMZJHTMMASW-UHFFFAOYSA-N -1 3 394.395 0.904 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000826158449 608101996 /nfs/dbraw/zinc/10/19/96/608101996.db2.gz PIYVMZJHTMMASW-UHFFFAOYSA-N -1 3 394.395 0.904 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000823974267 608102986 /nfs/dbraw/zinc/10/29/86/608102986.db2.gz OUNXKYGOSQJXCL-JTQLQIEISA-N -1 3 378.414 0.668 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000823974267 608102987 /nfs/dbraw/zinc/10/29/87/608102987.db2.gz OUNXKYGOSQJXCL-JTQLQIEISA-N -1 3 378.414 0.668 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000824712491 608103597 /nfs/dbraw/zinc/10/35/97/608103597.db2.gz ACQMHIGERDNBPR-JTQLQIEISA-N -1 3 375.385 0.870 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000824712491 608103598 /nfs/dbraw/zinc/10/35/98/608103598.db2.gz ACQMHIGERDNBPR-JTQLQIEISA-N -1 3 375.385 0.870 20 0 GCADHM CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000825152835 608103816 /nfs/dbraw/zinc/10/38/16/608103816.db2.gz CXBNCUADHLOQKW-JOYOIKCWSA-N -1 3 397.413 0.028 20 0 GCADHM CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825152835 608103817 /nfs/dbraw/zinc/10/38/17/608103817.db2.gz CXBNCUADHLOQKW-JOYOIKCWSA-N -1 3 397.413 0.028 20 0 GCADHM O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1sccc1-c1nnn[n-]1 ZINC000826421413 608104149 /nfs/dbraw/zinc/10/41/49/608104149.db2.gz HCUDNMRGYVGPID-MRVPVSSYSA-N -1 3 393.458 0.825 20 0 GCADHM O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1sccc1-c1nn[n-]n1 ZINC000826421413 608104150 /nfs/dbraw/zinc/10/41/50/608104150.db2.gz HCUDNMRGYVGPID-MRVPVSSYSA-N -1 3 393.458 0.825 20 0 GCADHM C[C@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824721506 608107483 /nfs/dbraw/zinc/10/74/83/608107483.db2.gz AVURDTVVRJBCNT-VIFPVBQESA-N -1 3 394.351 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ZINC000825565018 608134388 /nfs/dbraw/zinc/13/43/88/608134388.db2.gz JYZIOEUAUFPAEQ-UHFFFAOYSA-N -1 3 398.383 0.032 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCN1C(=O)CCC1=O ZINC000826161396 608138026 /nfs/dbraw/zinc/13/80/26/608138026.db2.gz GKKANUDLMCWWCW-UHFFFAOYSA-N -1 3 388.384 0.370 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCN1C(=O)CCC1=O ZINC000826161396 608138027 /nfs/dbraw/zinc/13/80/27/608138027.db2.gz GKKANUDLMCWWCW-UHFFFAOYSA-N -1 3 388.384 0.370 20 0 GCADHM CCC[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825248790 608139648 /nfs/dbraw/zinc/13/96/48/608139648.db2.gz YMOBOCCYUGYIAV-LBPRGKRZSA-N -1 3 392.416 0.108 20 0 GCADHM CCC[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825248790 608139649 /nfs/dbraw/zinc/13/96/49/608139649.db2.gz YMOBOCCYUGYIAV-LBPRGKRZSA-N -1 3 392.416 0.108 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)cc1-c1nnn[n-]1 ZINC000826195952 608141100 /nfs/dbraw/zinc/14/11/00/608141100.db2.gz LJIHJLKZNSEJTD-UHFFFAOYSA-N -1 3 399.415 0.477 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)cc1-c1nn[n-]n1 ZINC000826195952 608141101 /nfs/dbraw/zinc/14/11/01/608141101.db2.gz LJIHJLKZNSEJTD-UHFFFAOYSA-N -1 3 399.415 0.477 20 0 GCADHM CC(C)(C)OC(=O)N1CC(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000824103854 608141709 /nfs/dbraw/zinc/14/17/09/608141709.db2.gz KCKIUZQHQZVYKQ-UHFFFAOYSA-N -1 3 378.393 0.056 20 0 GCADHM CC(C)(C)OC(=O)N1CC(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824103854 608141710 /nfs/dbraw/zinc/14/17/10/608141710.db2.gz KCKIUZQHQZVYKQ-UHFFFAOYSA-N -1 3 378.393 0.056 20 0 GCADHM O=C(NC[C@@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826435254 608142123 /nfs/dbraw/zinc/14/21/23/608142123.db2.gz JYXRGUOOIAXBTI-JTQLQIEISA-N -1 3 396.404 0.028 20 0 GCADHM O=C(NC[C@@H]1CCCCS1(=O)=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826435254 608142124 /nfs/dbraw/zinc/14/21/24/608142124.db2.gz JYXRGUOOIAXBTI-JTQLQIEISA-N -1 3 396.404 0.028 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824100551 608143087 /nfs/dbraw/zinc/14/30/87/608143087.db2.gz URNVHVDVCOBIDS-UHFFFAOYSA-N -1 3 391.384 0.247 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824100551 608143088 /nfs/dbraw/zinc/14/30/88/608143088.db2.gz URNVHVDVCOBIDS-UHFFFAOYSA-N -1 3 391.384 0.247 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826276940 608144964 /nfs/dbraw/zinc/14/49/64/608144964.db2.gz DIXITKNYZNGLTP-UHFFFAOYSA-N -1 3 385.384 0.215 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826276940 608144965 /nfs/dbraw/zinc/14/49/65/608144965.db2.gz DIXITKNYZNGLTP-UHFFFAOYSA-N -1 3 385.384 0.215 20 0 GCADHM Cn1cc(C(C)(C)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000826358902 608145224 /nfs/dbraw/zinc/14/52/24/608145224.db2.gz NCICWLAPBFOOOO-UHFFFAOYSA-N -1 3 381.444 0.622 20 0 GCADHM Cn1cc(C(C)(C)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000826358902 608145225 /nfs/dbraw/zinc/14/52/25/608145225.db2.gz NCICWLAPBFOOOO-UHFFFAOYSA-N -1 3 381.444 0.622 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCN1CCOCC1=O ZINC000824207372 608146995 /nfs/dbraw/zinc/14/69/95/608146995.db2.gz VHBXTDVUDVNLPA-INIZCTEOSA-N -1 3 389.412 0.672 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCN1CCOCC1=O ZINC000824207372 608146996 /nfs/dbraw/zinc/14/69/96/608146996.db2.gz VHBXTDVUDVNLPA-INIZCTEOSA-N -1 3 389.412 0.672 20 0 GCADHM O=C(Cn1ccnc1-c1nnn[n-]1)NCc1ccccc1CN1CCOCC1 ZINC000826425327 608148984 /nfs/dbraw/zinc/14/89/84/608148984.db2.gz YGFOJRHVBQUVIA-UHFFFAOYSA-N -1 3 382.428 0.212 20 0 GCADHM O=C(Cn1ccnc1-c1nn[n-]n1)NCc1ccccc1CN1CCOCC1 ZINC000826425327 608148985 /nfs/dbraw/zinc/14/89/85/608148985.db2.gz YGFOJRHVBQUVIA-UHFFFAOYSA-N -1 3 382.428 0.212 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)NC1CCCCC1 ZINC000826437282 608157037 /nfs/dbraw/zinc/15/70/37/608157037.db2.gz DNONNMSWCNRQMG-UHFFFAOYSA-N -1 3 393.473 0.777 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)NC1CCCCC1 ZINC000826437282 608157039 /nfs/dbraw/zinc/15/70/39/608157039.db2.gz DNONNMSWCNRQMG-UHFFFAOYSA-N -1 3 393.473 0.777 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826256229 608158679 /nfs/dbraw/zinc/15/86/79/608158679.db2.gz ZHVBZFLZCQNIQH-CJNGLKHVSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826256229 608158680 /nfs/dbraw/zinc/15/86/80/608158680.db2.gz ZHVBZFLZCQNIQH-CJNGLKHVSA-N -1 3 379.442 0.792 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826486290 608158797 /nfs/dbraw/zinc/15/87/97/608158797.db2.gz WUUZJJUJESHQHF-CJNGLKHVSA-N -1 3 397.432 0.763 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826486290 608158799 /nfs/dbraw/zinc/15/87/99/608158799.db2.gz WUUZJJUJESHQHF-CJNGLKHVSA-N -1 3 397.432 0.763 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826279965 608158821 /nfs/dbraw/zinc/15/88/21/608158821.db2.gz JKYSUASMKYJNIU-CZUORRHYSA-N -1 3 379.442 0.792 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826279965 608158822 /nfs/dbraw/zinc/15/88/22/608158822.db2.gz JKYSUASMKYJNIU-CZUORRHYSA-N -1 3 379.442 0.792 20 0 GCADHM O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826489625 608159431 /nfs/dbraw/zinc/15/94/31/608159431.db2.gz VZHVDMLQEXGPTF-MEBBXXQBSA-N -1 3 383.405 0.622 20 0 GCADHM O=S(=O)(N[C@@H]1CCO[C@]2(CCOC2)C1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826489625 608159432 /nfs/dbraw/zinc/15/94/32/608159432.db2.gz VZHVDMLQEXGPTF-MEBBXXQBSA-N -1 3 383.405 0.622 20 0 GCADHM O=S(=O)(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826488841 608159497 /nfs/dbraw/zinc/15/94/97/608159497.db2.gz AFANLUGJBRAATQ-ABAIWWIYSA-N -1 3 383.405 0.622 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476235 608161959 /nfs/dbraw/zinc/16/19/59/608161959.db2.gz CTBAIZYHFMALAL-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476235 608161961 /nfs/dbraw/zinc/16/19/61/608161961.db2.gz CTBAIZYHFMALAL-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825582074 608164757 /nfs/dbraw/zinc/16/47/57/608164757.db2.gz HHTXNVOBZUXVKA-CYBMUJFWSA-N -1 3 387.400 0.927 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825582074 608164758 /nfs/dbraw/zinc/16/47/58/608164758.db2.gz HHTXNVOBZUXVKA-CYBMUJFWSA-N -1 3 387.400 0.927 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825582799 608164820 /nfs/dbraw/zinc/16/48/20/608164820.db2.gz NSVYQZRVPUCABD-AWEZNQCLSA-N -1 3 397.457 0.150 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825582799 608164822 /nfs/dbraw/zinc/16/48/22/608164822.db2.gz NSVYQZRVPUCABD-AWEZNQCLSA-N -1 3 397.457 0.150 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000826478506 608167094 /nfs/dbraw/zinc/16/70/94/608167094.db2.gz CNGHAOFVMQLWCV-OCCSQVGLSA-N -1 3 399.459 0.374 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000826478506 608167095 /nfs/dbraw/zinc/16/70/95/608167095.db2.gz CNGHAOFVMQLWCV-OCCSQVGLSA-N -1 3 399.459 0.374 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000825476470 608167728 /nfs/dbraw/zinc/16/77/28/608167728.db2.gz LCPGKKFAPIHVKS-GWJCSSMESA-N -1 3 376.442 0.420 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000825476470 608167730 /nfs/dbraw/zinc/16/77/30/608167730.db2.gz LCPGKKFAPIHVKS-GWJCSSMESA-N -1 3 376.442 0.420 20 0 GCADHM O=C1[C@H](N2CCN3C(=O)OCC[C@@H]3C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000826477321 608168272 /nfs/dbraw/zinc/16/82/72/608168272.db2.gz ZZPDNVRARJRXEA-ZYHUDNBSSA-N -1 3 389.441 0.560 20 0 GCADHM O=C1[C@H](N2CCN3C(=O)OCC[C@@H]3C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000826477321 608168274 /nfs/dbraw/zinc/16/82/74/608168274.db2.gz ZZPDNVRARJRXEA-ZYHUDNBSSA-N -1 3 389.441 0.560 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826175144 608168442 /nfs/dbraw/zinc/16/84/42/608168442.db2.gz UZOFIMPWKFPTRQ-ACJLOTCBSA-N -1 3 389.412 0.708 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826175144 608168444 /nfs/dbraw/zinc/16/84/44/608168444.db2.gz UZOFIMPWKFPTRQ-ACJLOTCBSA-N -1 3 389.412 0.708 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N(C)CC(C)(C)S(C)(=O)=O ZINC000824046820 608169130 /nfs/dbraw/zinc/16/91/30/608169130.db2.gz VRXDDUALNHOGNM-NSHDSACASA-N -1 3 380.474 0.949 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N(C)CC(C)(C)S(C)(=O)=O ZINC000824046820 608169131 /nfs/dbraw/zinc/16/91/31/608169131.db2.gz VRXDDUALNHOGNM-NSHDSACASA-N -1 3 380.474 0.949 20 0 GCADHM O=C(CN1CCN2C(=O)OCC[C@H]2C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826411356 608169317 /nfs/dbraw/zinc/16/93/17/608169317.db2.gz VZPQCSKYTZDSBN-NSHDSACASA-N -1 3 391.819 0.985 20 0 GCADHM O=C(CN1CCN2C(=O)OCC[C@H]2C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826411356 608169318 /nfs/dbraw/zinc/16/93/18/608169318.db2.gz VZPQCSKYTZDSBN-NSHDSACASA-N -1 3 391.819 0.985 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826411491 608169512 /nfs/dbraw/zinc/16/95/12/608169512.db2.gz AGLVTKTVEXJZDJ-RDTXWAMCSA-N -1 3 386.412 0.051 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826411491 608169513 /nfs/dbraw/zinc/16/95/13/608169513.db2.gz AGLVTKTVEXJZDJ-RDTXWAMCSA-N -1 3 386.412 0.051 20 0 GCADHM Cc1oc(NC(=O)CN2CCN3C(=O)OCC[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826341308 608169507 /nfs/dbraw/zinc/16/95/07/608169507.db2.gz COTBJKSIHAZJCY-NSHDSACASA-N -1 3 375.389 0.542 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)CN1CCC(=O)NC1=O ZINC000825793025 608176289 /nfs/dbraw/zinc/17/62/89/608176289.db2.gz JNRJDHNCVNQFKE-UHFFFAOYSA-N -1 3 383.372 0.117 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)CN1CCC(=O)NC1=O ZINC000825793025 608176290 /nfs/dbraw/zinc/17/62/90/608176290.db2.gz JNRJDHNCVNQFKE-UHFFFAOYSA-N -1 3 383.372 0.117 20 0 GCADHM O=C(OCCOc1ccccc1-c1nnn[n-]1)c1cnc2c(c1)NC(=O)CO2 ZINC000826482245 608178186 /nfs/dbraw/zinc/17/81/86/608178186.db2.gz XEVCTELUVWFDAO-UHFFFAOYSA-N -1 3 382.336 0.828 20 0 GCADHM O=C(OCCOc1ccccc1-c1nn[n-]n1)c1cnc2c(c1)NC(=O)CO2 ZINC000826482245 608178187 /nfs/dbraw/zinc/17/81/87/608178187.db2.gz XEVCTELUVWFDAO-UHFFFAOYSA-N -1 3 382.336 0.828 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC000825787902 608178394 /nfs/dbraw/zinc/17/83/94/608178394.db2.gz LUMOKUJNBPEBDC-VIFPVBQESA-N -1 3 382.384 0.712 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC000825787902 608178396 /nfs/dbraw/zinc/17/83/96/608178396.db2.gz LUMOKUJNBPEBDC-VIFPVBQESA-N -1 3 382.384 0.712 20 0 GCADHM CN(CCc1cnccn1)C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825946475 608185682 /nfs/dbraw/zinc/18/56/82/608185682.db2.gz ZNFWSGOPXKTETJ-UHFFFAOYSA-N -1 3 386.803 0.950 20 0 GCADHM CN(CCc1cnccn1)C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825946475 608185683 /nfs/dbraw/zinc/18/56/83/608185683.db2.gz ZNFWSGOPXKTETJ-UHFFFAOYSA-N -1 3 386.803 0.950 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC1CCOCC1 ZINC000824633680 608187904 /nfs/dbraw/zinc/18/79/04/608187904.db2.gz QHAYILJGNKKYRB-SNVBAGLBSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC1CCOCC1 ZINC000824633680 608187905 /nfs/dbraw/zinc/18/79/05/608187905.db2.gz QHAYILJGNKKYRB-SNVBAGLBSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC1CCOCC1 ZINC000824640674 608187983 /nfs/dbraw/zinc/18/79/83/608187983.db2.gz NHSFOPFZLSJOBY-JTQLQIEISA-N -1 3 381.414 0.256 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC1CCOCC1 ZINC000824640674 608187985 /nfs/dbraw/zinc/18/79/85/608187985.db2.gz NHSFOPFZLSJOBY-JTQLQIEISA-N -1 3 381.414 0.256 20 0 GCADHM COc1ccc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)nn1 ZINC000826187179 608190087 /nfs/dbraw/zinc/19/00/87/608190087.db2.gz DCWRDEFXXKBASQ-UHFFFAOYSA-N -1 3 377.368 0.985 20 0 GCADHM COc1ccc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)nn1 ZINC000826187179 608190089 /nfs/dbraw/zinc/19/00/89/608190089.db2.gz DCWRDEFXXKBASQ-UHFFFAOYSA-N -1 3 377.368 0.985 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826443720 608190827 /nfs/dbraw/zinc/19/08/27/608190827.db2.gz AGDUJJNTPOMTBN-CYBMUJFWSA-N -1 3 392.423 0.884 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826443720 608190828 /nfs/dbraw/zinc/19/08/28/608190828.db2.gz AGDUJJNTPOMTBN-CYBMUJFWSA-N -1 3 392.423 0.884 20 0 GCADHM CC[C@H](C)N(OC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825067066 608193563 /nfs/dbraw/zinc/19/35/63/608193563.db2.gz GUXYOJRXQXFQAE-QWRGUYRKSA-N -1 3 382.446 0.722 20 0 GCADHM CC[C@H](C)N(OC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825067066 608193565 /nfs/dbraw/zinc/19/35/65/608193565.db2.gz GUXYOJRXQXFQAE-QWRGUYRKSA-N -1 3 382.446 0.722 20 0 GCADHM CC[C@@H](C)N(OC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825066967 608193687 /nfs/dbraw/zinc/19/36/87/608193687.db2.gz FXYNWZQHSMGEAC-GHMZBOCLSA-N -1 3 382.446 0.722 20 0 GCADHM CC[C@@H](C)N(OC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825066967 608193689 /nfs/dbraw/zinc/19/36/89/608193689.db2.gz FXYNWZQHSMGEAC-GHMZBOCLSA-N -1 3 382.446 0.722 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CCO)c1ccccc1 ZINC000826412038 608194238 /nfs/dbraw/zinc/19/42/38/608194238.db2.gz YWJALTNAWKAHSF-INIZCTEOSA-N -1 3 380.408 0.836 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CCO)c1ccccc1 ZINC000826412038 608194240 /nfs/dbraw/zinc/19/42/40/608194240.db2.gz YWJALTNAWKAHSF-INIZCTEOSA-N -1 3 380.408 0.836 20 0 GCADHM O=C([C@@H](O)CCc1ccccc1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826396692 608195929 /nfs/dbraw/zinc/19/59/29/608195929.db2.gz HZBSHYJTDHJDHQ-KRWDZBQOSA-N -1 3 393.451 0.904 20 0 GCADHM O=C([C@@H](O)CCc1ccccc1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826396692 608195931 /nfs/dbraw/zinc/19/59/31/608195931.db2.gz HZBSHYJTDHJDHQ-KRWDZBQOSA-N -1 3 393.451 0.904 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCO[C@]3(CCOC3)C2)c(-c2nnn[n-]2)c1 ZINC000826395243 608198839 /nfs/dbraw/zinc/19/88/39/608198839.db2.gz TUMIIDSVNSMCSD-MEBBXXQBSA-N -1 3 380.430 0.264 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCO[C@]3(CCOC3)C2)c(-c2nn[n-]n2)c1 ZINC000826395243 608198842 /nfs/dbraw/zinc/19/88/42/608198842.db2.gz TUMIIDSVNSMCSD-MEBBXXQBSA-N -1 3 380.430 0.264 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@]1(C)CCOC1 ZINC000824641368 608199509 /nfs/dbraw/zinc/19/95/09/608199509.db2.gz VCAQQAWTFOISEP-MEDUHNTESA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@]1(C)CCOC1 ZINC000824641368 608199511 /nfs/dbraw/zinc/19/95/11/608199511.db2.gz VCAQQAWTFOISEP-MEDUHNTESA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NN1CCCCC1 ZINC000824634294 608204916 /nfs/dbraw/zinc/20/49/16/608204916.db2.gz VGZAHAGNMUSYRO-NSHDSACASA-N -1 3 379.446 0.051 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NN1CCCCC1 ZINC000824634294 608204917 /nfs/dbraw/zinc/20/49/17/608204917.db2.gz VGZAHAGNMUSYRO-NSHDSACASA-N -1 3 379.446 0.051 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000825476205 608208991 /nfs/dbraw/zinc/20/89/91/608208991.db2.gz CAVDHXABIPLRIE-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825476205 608208993 /nfs/dbraw/zinc/20/89/93/608208993.db2.gz CAVDHXABIPLRIE-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000825476204 608209118 /nfs/dbraw/zinc/20/91/18/608209118.db2.gz CAVDHXABIPLRIE-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000825476204 608209119 /nfs/dbraw/zinc/20/91/19/608209119.db2.gz CAVDHXABIPLRIE-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM Cc1ocnc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826342663 608209303 /nfs/dbraw/zinc/20/93/03/608209303.db2.gz VGYPWXJWWOLVMU-SECBINFHSA-N -1 3 391.413 0.146 20 0 GCADHM Cc1ocnc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826342663 608209304 /nfs/dbraw/zinc/20/93/04/608209304.db2.gz VGYPWXJWWOLVMU-SECBINFHSA-N -1 3 391.413 0.146 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476041 608210626 /nfs/dbraw/zinc/21/06/26/608210626.db2.gz ABVOBBSXLCTHFG-BXUZGUMPSA-N -1 3 393.473 0.207 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476041 608210627 /nfs/dbraw/zinc/21/06/27/608210627.db2.gz ABVOBBSXLCTHFG-BXUZGUMPSA-N -1 3 393.473 0.207 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476197 608210660 /nfs/dbraw/zinc/21/06/60/608210660.db2.gz BUGFTAJCHLZDHP-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476197 608210662 /nfs/dbraw/zinc/21/06/62/608210662.db2.gz BUGFTAJCHLZDHP-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM O=C(c1cnc2n[nH]nc2c1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826475187 608214240 /nfs/dbraw/zinc/21/42/40/608214240.db2.gz WZDBZIFICYUJDS-UHFFFAOYSA-N -1 3 394.374 0.635 20 0 GCADHM O=C(c1cnc2n[nH]nc2c1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826475187 608214241 /nfs/dbraw/zinc/21/42/41/608214241.db2.gz WZDBZIFICYUJDS-UHFFFAOYSA-N -1 3 394.374 0.635 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCS(=O)(=O)N(C)C ZINC000825318489 608216977 /nfs/dbraw/zinc/21/69/77/608216977.db2.gz NWWFCMBHKIDAPV-UHFFFAOYSA-N -1 3 380.474 0.887 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCS(=O)(=O)N(C)C ZINC000825318489 608216978 /nfs/dbraw/zinc/21/69/78/608216978.db2.gz NWWFCMBHKIDAPV-UHFFFAOYSA-N -1 3 380.474 0.887 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)Nc1ccc(Cn2cncn2)cc1 ZINC000826414026 608218065 /nfs/dbraw/zinc/21/80/65/608218065.db2.gz APGMTJDFKZOOBF-UHFFFAOYSA-N -1 3 376.384 0.952 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)Nc1ccc(Cn2cncn2)cc1 ZINC000826414026 608218067 /nfs/dbraw/zinc/21/80/67/608218067.db2.gz APGMTJDFKZOOBF-UHFFFAOYSA-N -1 3 376.384 0.952 20 0 GCADHM CSCC[C@H](O)C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826228080 608218760 /nfs/dbraw/zinc/21/87/60/608218760.db2.gz DKMQXTCDSZYJJO-ZDUSSCGKSA-N -1 3 380.449 0.768 20 0 GCADHM CSCC[C@H](O)C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826228080 608218762 /nfs/dbraw/zinc/21/87/62/608218762.db2.gz DKMQXTCDSZYJJO-ZDUSSCGKSA-N -1 3 380.449 0.768 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1ccc(-n2cncn2)cc1 ZINC000826413608 608219541 /nfs/dbraw/zinc/21/95/41/608219541.db2.gz LGYLMQVZMRKASE-UHFFFAOYSA-N -1 3 376.384 0.571 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1ccc(-n2cncn2)cc1 ZINC000826413608 608219542 /nfs/dbraw/zinc/21/95/42/608219542.db2.gz LGYLMQVZMRKASE-UHFFFAOYSA-N -1 3 376.384 0.571 20 0 GCADHM CCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367393 608219775 /nfs/dbraw/zinc/21/97/75/608219775.db2.gz OUFDHEHPJLIJAO-LBPRGKRZSA-N -1 3 385.428 0.747 20 0 GCADHM CCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367393 608219777 /nfs/dbraw/zinc/21/97/77/608219777.db2.gz OUFDHEHPJLIJAO-LBPRGKRZSA-N -1 3 385.428 0.747 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)C(=O)NCc1ccccc1 ZINC000824479912 608220090 /nfs/dbraw/zinc/22/00/90/608220090.db2.gz RGLIIMNCSCAYHQ-LBPRGKRZSA-N -1 3 380.412 0.495 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)C(=O)NCc1ccccc1 ZINC000824479912 608220091 /nfs/dbraw/zinc/22/00/91/608220091.db2.gz RGLIIMNCSCAYHQ-LBPRGKRZSA-N -1 3 380.412 0.495 20 0 GCADHM CCOC(=O)Cc1csc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000825517545 608220724 /nfs/dbraw/zinc/22/07/24/608220724.db2.gz DZIYNNGYEMBBML-UHFFFAOYSA-N -1 3 388.413 0.874 20 0 GCADHM CCOC(=O)Cc1csc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000825517545 608220726 /nfs/dbraw/zinc/22/07/26/608220726.db2.gz DZIYNNGYEMBBML-UHFFFAOYSA-N -1 3 388.413 0.874 20 0 GCADHM CCN(C(=O)CNc1ccc(-c2nnn[n-]2)cn1)[C@H](C)CS(=O)(=O)CC ZINC000825371028 608223162 /nfs/dbraw/zinc/22/31/62/608223162.db2.gz AVNVLNLDYDNMND-LLVKDONJSA-N -1 3 381.462 0.345 20 0 GCADHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cn1)[C@H](C)CS(=O)(=O)CC ZINC000825371028 608223164 /nfs/dbraw/zinc/22/31/64/608223164.db2.gz AVNVLNLDYDNMND-LLVKDONJSA-N -1 3 381.462 0.345 20 0 GCADHM CCn1nnnc1-c1cccc(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000825812580 608224800 /nfs/dbraw/zinc/22/48/00/608224800.db2.gz NORKVGYECZSCKN-UHFFFAOYSA-N -1 3 391.399 0.986 20 0 GCADHM CCn1nnnc1-c1cccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000825812580 608224801 /nfs/dbraw/zinc/22/48/01/608224801.db2.gz NORKVGYECZSCKN-UHFFFAOYSA-N -1 3 391.399 0.986 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000826413408 608225517 /nfs/dbraw/zinc/22/55/17/608225517.db2.gz DIPYLOUQSHIGDO-OAHLLOKOSA-N -1 3 392.423 0.985 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000826413408 608225518 /nfs/dbraw/zinc/22/55/18/608225518.db2.gz DIPYLOUQSHIGDO-OAHLLOKOSA-N -1 3 392.423 0.985 20 0 GCADHM C[C@@](O)(CNC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1F ZINC000824670190 608226047 /nfs/dbraw/zinc/22/60/47/608226047.db2.gz LUKBBBYEJCUDLA-QGZVFWFLSA-N -1 3 389.366 0.976 20 0 GCADHM C[C@@](O)(CNC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1F ZINC000824670190 608226049 /nfs/dbraw/zinc/22/60/49/608226049.db2.gz LUKBBBYEJCUDLA-QGZVFWFLSA-N -1 3 389.366 0.976 20 0 GCADHM O=C(N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)[C@@]1(O)CCSC1 ZINC000826426122 608231342 /nfs/dbraw/zinc/23/13/42/608231342.db2.gz GBMKMZCNHKWZDH-MRXNPFEDSA-N -1 3 378.433 0.522 20 0 GCADHM O=C(N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)[C@@]1(O)CCSC1 ZINC000826426122 608231344 /nfs/dbraw/zinc/23/13/44/608231344.db2.gz GBMKMZCNHKWZDH-MRXNPFEDSA-N -1 3 378.433 0.522 20 0 GCADHM C[C@@H](O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824679701 608233444 /nfs/dbraw/zinc/23/34/44/608233444.db2.gz VGZZIUUAEIBOHY-SECBINFHSA-N -1 3 381.234 0.659 20 0 GCADHM CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](O)C(F)(F)F ZINC000825147585 608238232 /nfs/dbraw/zinc/23/82/32/608238232.db2.gz KCWQLIHNSHZSIY-NXEZZACHSA-N -1 3 383.327 0.986 20 0 GCADHM CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](O)C(F)(F)F ZINC000825147585 608238233 /nfs/dbraw/zinc/23/82/33/608238233.db2.gz KCWQLIHNSHZSIY-NXEZZACHSA-N -1 3 383.327 0.986 20 0 GCADHM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)[C@@H](O)C(F)(F)F ZINC000825148744 608239287 /nfs/dbraw/zinc/23/92/87/608239287.db2.gz SXAHCARVMXPCKH-PSASIEDQSA-N -1 3 383.327 0.986 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826060012 608240896 /nfs/dbraw/zinc/24/08/96/608240896.db2.gz DWXWASQYXKZTLF-ZIAGYGMSSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826060012 608240898 /nfs/dbraw/zinc/24/08/98/608240898.db2.gz DWXWASQYXKZTLF-ZIAGYGMSSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826060967 608241177 /nfs/dbraw/zinc/24/11/77/608241177.db2.gz XIXPQFIRAYCZQT-OCCSQVGLSA-N -1 3 399.459 0.008 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826060967 608241179 /nfs/dbraw/zinc/24/11/79/608241179.db2.gz XIXPQFIRAYCZQT-OCCSQVGLSA-N -1 3 399.459 0.008 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)[C@H](O)C(F)(F)F ZINC000825127504 608244818 /nfs/dbraw/zinc/24/48/18/608244818.db2.gz NEMNZPMJISKBBA-KOLCDFICSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)[C@H](O)C(F)(F)F ZINC000825127504 608244820 /nfs/dbraw/zinc/24/48/20/608244820.db2.gz NEMNZPMJISKBBA-KOLCDFICSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)[C@@H](O)C(F)(F)F ZINC000825127506 608244874 /nfs/dbraw/zinc/24/48/74/608244874.db2.gz NEMNZPMJISKBBA-MWLCHTKSSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)[C@@H](O)C(F)(F)F ZINC000825127506 608244876 /nfs/dbraw/zinc/24/48/76/608244876.db2.gz NEMNZPMJISKBBA-MWLCHTKSSA-N -1 3 386.334 0.932 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826052645 608245131 /nfs/dbraw/zinc/24/51/31/608245131.db2.gz RHQGAGOEPMOWTG-BXKDBHETSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826052645 608245132 /nfs/dbraw/zinc/24/51/32/608245132.db2.gz RHQGAGOEPMOWTG-BXKDBHETSA-N -1 3 391.819 0.490 20 0 GCADHM COC[C@H](O)CCNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826151852 608245925 /nfs/dbraw/zinc/24/59/25/608245925.db2.gz KTWHCFXFTQJSST-GFCCVEGCSA-N -1 3 376.417 0.489 20 0 GCADHM COC[C@H](O)CCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826151852 608245927 /nfs/dbraw/zinc/24/59/27/608245927.db2.gz KTWHCFXFTQJSST-GFCCVEGCSA-N -1 3 376.417 0.489 20 0 GCADHM CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825248257 608250186 /nfs/dbraw/zinc/25/01/86/608250186.db2.gz QVHDCLZUPGDYCS-AWEZNQCLSA-N -1 3 395.427 0.375 20 0 GCADHM CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825248257 608250188 /nfs/dbraw/zinc/25/01/88/608250188.db2.gz QVHDCLZUPGDYCS-AWEZNQCLSA-N -1 3 395.427 0.375 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@]1(C)CCCOC1 ZINC000824633201 608250343 /nfs/dbraw/zinc/25/03/43/608250343.db2.gz HUHSSDBBHKCYII-BZNIZROVSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@]1(C)CCCOC1 ZINC000824633201 608250345 /nfs/dbraw/zinc/25/03/45/608250345.db2.gz HUHSSDBBHKCYII-BZNIZROVSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000824053199 608250390 /nfs/dbraw/zinc/25/03/90/608250390.db2.gz WCUOPTQQOIJNDU-ZCFIWIBFSA-N -1 3 378.336 0.380 20 0 GCADHM C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824053199 608250391 /nfs/dbraw/zinc/25/03/91/608250391.db2.gz WCUOPTQQOIJNDU-ZCFIWIBFSA-N -1 3 378.336 0.380 20 0 GCADHM CCn1c(C)nnc1COC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825782683 608253060 /nfs/dbraw/zinc/25/30/60/608253060.db2.gz LLNQUWNXLHBMMO-UHFFFAOYSA-N -1 3 394.399 0.911 20 0 GCADHM CCn1c(C)nnc1COC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825782683 608253061 /nfs/dbraw/zinc/25/30/61/608253061.db2.gz LLNQUWNXLHBMMO-UHFFFAOYSA-N -1 3 394.399 0.911 20 0 GCADHM Cc1cccnc1COC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826308307 608253104 /nfs/dbraw/zinc/25/31/04/608253104.db2.gz SWWJZWKWUBMVNM-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM Cc1cccnc1COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826308307 608253105 /nfs/dbraw/zinc/25/31/05/608253105.db2.gz SWWJZWKWUBMVNM-UHFFFAOYSA-N -1 3 388.409 0.592 20 0 GCADHM CC[C@@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)[C@@H](O)C(F)(F)F ZINC000825132548 608253121 /nfs/dbraw/zinc/25/31/21/608253121.db2.gz AOBCRFRYATUGRG-MWLCHTKSSA-N -1 3 388.354 0.675 20 0 GCADHM CC[C@@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)[C@@H](O)C(F)(F)F ZINC000825132548 608253123 /nfs/dbraw/zinc/25/31/23/608253123.db2.gz AOBCRFRYATUGRG-MWLCHTKSSA-N -1 3 388.354 0.675 20 0 GCADHM CC[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](O)C(F)(F)F ZINC000825133663 608253313 /nfs/dbraw/zinc/25/33/13/608253313.db2.gz OXUKUMIOFBUFEO-CMPLNLGQSA-N -1 3 386.334 0.415 20 0 GCADHM CC[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](O)C(F)(F)F ZINC000825133663 608253316 /nfs/dbraw/zinc/25/33/16/608253316.db2.gz OXUKUMIOFBUFEO-CMPLNLGQSA-N -1 3 386.334 0.415 20 0 GCADHM COc1ccc(CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1-c1nnn[n-]1 ZINC000826195473 608256280 /nfs/dbraw/zinc/25/62/80/608256280.db2.gz VUFPNKRJEBPDHN-UHFFFAOYSA-N -1 3 395.423 0.934 20 0 GCADHM COc1ccc(CN2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1-c1nn[n-]n1 ZINC000826195473 608256283 /nfs/dbraw/zinc/25/62/83/608256283.db2.gz VUFPNKRJEBPDHN-UHFFFAOYSA-N -1 3 395.423 0.934 20 0 GCADHM Cn1nnnc1CCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826367295 608257623 /nfs/dbraw/zinc/25/76/23/608257623.db2.gz TVFADMKQAKDPOD-UHFFFAOYSA-N -1 3 398.431 0.186 20 0 GCADHM Cn1nnnc1CCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826367295 608257625 /nfs/dbraw/zinc/25/76/25/608257625.db2.gz TVFADMKQAKDPOD-UHFFFAOYSA-N -1 3 398.431 0.186 20 0 GCADHM CCCc1cc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)n(C)n1 ZINC000825348496 608258056 /nfs/dbraw/zinc/25/80/56/608258056.db2.gz NJKSOLSMOUDYGS-UHFFFAOYSA-N -1 3 386.391 0.947 20 0 GCADHM CCCc1cc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)n(C)n1 ZINC000825348496 608258057 /nfs/dbraw/zinc/25/80/57/608258057.db2.gz NJKSOLSMOUDYGS-UHFFFAOYSA-N -1 3 386.391 0.947 20 0 GCADHM O=C(CN1CCN2C(=O)CC[C@@H]2C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826411018 608258917 /nfs/dbraw/zinc/25/89/17/608258917.db2.gz HXDJLXOYGQVYJJ-LLVKDONJSA-N -1 3 375.820 0.765 20 0 GCADHM O=C(CN1CCN2C(=O)CC[C@@H]2C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826411018 608258919 /nfs/dbraw/zinc/25/89/19/608258919.db2.gz HXDJLXOYGQVYJJ-LLVKDONJSA-N -1 3 375.820 0.765 20 0 GCADHM Cc1sc(NC(=O)CN2CCN3C(=O)CC[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826349835 608259499 /nfs/dbraw/zinc/25/94/99/608259499.db2.gz WHEMKRRJSXFNSV-NSHDSACASA-N -1 3 375.458 0.790 20 0 GCADHM Cc1sc(NC(=O)CN2CCN3C(=O)CC[C@H]3C2)c(-c2nn[n-]n2)c1C ZINC000826349835 608259501 /nfs/dbraw/zinc/25/95/01/608259501.db2.gz WHEMKRRJSXFNSV-NSHDSACASA-N -1 3 375.458 0.790 20 0 GCADHM CCCc1cc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000825348644 608260369 /nfs/dbraw/zinc/26/03/69/608260369.db2.gz UPLFRDHFWKZVHO-UHFFFAOYSA-N -1 3 398.427 0.686 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000826452519 608261020 /nfs/dbraw/zinc/26/10/20/608261020.db2.gz WOHANOYVOAIFGH-AWEZNQCLSA-N -1 3 397.439 0.855 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000826452519 608261022 /nfs/dbraw/zinc/26/10/22/608261022.db2.gz WOHANOYVOAIFGH-AWEZNQCLSA-N -1 3 397.439 0.855 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000826455728 608261445 /nfs/dbraw/zinc/26/14/45/608261445.db2.gz BELFCFBVXLZUSS-AWEZNQCLSA-N -1 3 397.439 0.855 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000826455728 608261446 /nfs/dbraw/zinc/26/14/46/608261446.db2.gz BELFCFBVXLZUSS-AWEZNQCLSA-N -1 3 397.439 0.855 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000825620461 608269207 /nfs/dbraw/zinc/26/92/07/608269207.db2.gz BKDSXIPRYYSPLU-NSHDSACASA-N -1 3 389.416 0.322 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000825620461 608269209 /nfs/dbraw/zinc/26/92/09/608269209.db2.gz BKDSXIPRYYSPLU-NSHDSACASA-N -1 3 389.416 0.322 20 0 GCADHM CCCn1cc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000825356827 608269372 /nfs/dbraw/zinc/26/93/72/608269372.db2.gz LOYMSKVVQGHOST-UHFFFAOYSA-N -1 3 381.444 0.826 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826333759 608271808 /nfs/dbraw/zinc/27/18/08/608271808.db2.gz UCLVRWFRDHTLEH-UHFFFAOYSA-N -1 3 382.432 0.966 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826333759 608271810 /nfs/dbraw/zinc/27/18/10/608271810.db2.gz UCLVRWFRDHTLEH-UHFFFAOYSA-N -1 3 382.432 0.966 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccc[nH]1 ZINC000824640224 608276439 /nfs/dbraw/zinc/27/64/39/608276439.db2.gz DGRQRDNQTZYYGN-LLVKDONJSA-N -1 3 389.441 0.221 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccc[nH]1 ZINC000824640224 608276440 /nfs/dbraw/zinc/27/64/40/608276440.db2.gz DGRQRDNQTZYYGN-LLVKDONJSA-N -1 3 389.441 0.221 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826394724 608287093 /nfs/dbraw/zinc/28/70/93/608287093.db2.gz VYILVKMRZLVUSU-NSHDSACASA-N -1 3 377.474 0.645 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826394724 608287095 /nfs/dbraw/zinc/28/70/95/608287095.db2.gz VYILVKMRZLVUSU-NSHDSACASA-N -1 3 377.474 0.645 20 0 GCADHM O=S1(=O)CCC(O)(CNc2nc3c(cc2-c2nnn[n-]2)CCCC3)CC1 ZINC000826496784 608291287 /nfs/dbraw/zinc/29/12/87/608291287.db2.gz JOHCMIXWPDJHQH-UHFFFAOYSA-N -1 3 378.458 0.492 20 0 GCADHM O=S1(=O)CCC(O)(CNc2nc3c(cc2-c2nn[n-]n2)CCCC3)CC1 ZINC000826496784 608291288 /nfs/dbraw/zinc/29/12/88/608291288.db2.gz JOHCMIXWPDJHQH-UHFFFAOYSA-N -1 3 378.458 0.492 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1c1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826090961 608293527 /nfs/dbraw/zinc/29/35/27/608293527.db2.gz SEZDXSMZEIFHQU-LBPRGKRZSA-N -1 3 377.474 0.659 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1c1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000826090961 608293529 /nfs/dbraw/zinc/29/35/29/608293529.db2.gz SEZDXSMZEIFHQU-LBPRGKRZSA-N -1 3 377.474 0.659 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000669631717 608301606 /nfs/dbraw/zinc/30/16/06/608301606.db2.gz BNGWJBUXTPENHF-LLVKDONJSA-N -1 3 398.876 0.615 20 0 GCADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000669631717 608301607 /nfs/dbraw/zinc/30/16/07/608301607.db2.gz BNGWJBUXTPENHF-LLVKDONJSA-N -1 3 398.876 0.615 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCCN(CC(F)F)CC2)c(-c2nnn[n-]2)c1 ZINC000826395325 608302724 /nfs/dbraw/zinc/30/27/24/608302724.db2.gz WTLIZSNQVVCARG-UHFFFAOYSA-N -1 3 387.416 0.291 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCCN(CC(F)F)CC2)c(-c2nn[n-]n2)c1 ZINC000826395325 608302726 /nfs/dbraw/zinc/30/27/26/608302726.db2.gz WTLIZSNQVVCARG-UHFFFAOYSA-N -1 3 387.416 0.291 20 0 GCADHM CCCn1c(C)nnc1CS(=O)(=O)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825357069 608303593 /nfs/dbraw/zinc/30/35/93/608303593.db2.gz XBSNUYHUJKMPQW-AWEZNQCLSA-N -1 3 391.457 0.825 20 0 GCADHM CCCn1c(C)nnc1CS(=O)(=O)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825357069 608303595 /nfs/dbraw/zinc/30/35/95/608303595.db2.gz XBSNUYHUJKMPQW-AWEZNQCLSA-N -1 3 391.457 0.825 20 0 GCADHM CCC[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CCN1CCOC ZINC000825254779 608306487 /nfs/dbraw/zinc/30/64/87/608306487.db2.gz URACLGROVQPULH-LBPRGKRZSA-N -1 3 377.453 0.565 20 0 GCADHM NC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000826393261 608306789 /nfs/dbraw/zinc/30/67/89/608306789.db2.gz KGCAVAMONJYSIK-OAHLLOKOSA-N -1 3 394.395 0.966 20 0 GCADHM NC(=O)c1ccc(NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000826393261 608306791 /nfs/dbraw/zinc/30/67/91/608306791.db2.gz KGCAVAMONJYSIK-OAHLLOKOSA-N -1 3 394.395 0.966 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCC[C@@H](O)COC)cc1-c1nnn[n-]1 ZINC000825538140 608307360 /nfs/dbraw/zinc/30/73/60/608307360.db2.gz ADWBTSQYBOAMMV-LLVKDONJSA-N -1 3 393.404 0.954 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCC[C@@H](O)COC)cc1-c1nn[n-]n1 ZINC000825538140 608307362 /nfs/dbraw/zinc/30/73/62/608307362.db2.gz ADWBTSQYBOAMMV-LLVKDONJSA-N -1 3 393.404 0.954 20 0 GCADHM COCCN(CC(=O)N(C)C)Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1 ZINC000826158092 608308467 /nfs/dbraw/zinc/30/84/67/608308467.db2.gz ZUIIIDOZDDIVIM-UHFFFAOYSA-N -1 3 398.471 0.897 20 0 GCADHM COCCCOCCN(C)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826156936 608308655 /nfs/dbraw/zinc/30/86/55/608308655.db2.gz APVTWPQRQONQNY-UHFFFAOYSA-N -1 3 387.437 0.821 20 0 GCADHM COCCCOCCN(C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826156936 608308657 /nfs/dbraw/zinc/30/86/57/608308657.db2.gz APVTWPQRQONQNY-UHFFFAOYSA-N -1 3 387.437 0.821 20 0 GCADHM COCCN(Cc1c(-c2nnn[n-]2)c(C)nn1-c1ccccc1)[C@@H](C)C(N)=O ZINC000826158380 608312025 /nfs/dbraw/zinc/31/20/25/608312025.db2.gz NEWKJQZQJOXRDH-ZDUSSCGKSA-N -1 3 384.444 0.683 20 0 GCADHM COCCN(Cc1c(-c2nn[n-]n2)c(C)nn1-c1ccccc1)[C@@H](C)C(N)=O ZINC000826158380 608312028 /nfs/dbraw/zinc/31/20/28/608312028.db2.gz NEWKJQZQJOXRDH-ZDUSSCGKSA-N -1 3 384.444 0.683 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826452006 608317262 /nfs/dbraw/zinc/31/72/62/608317262.db2.gz FEOXJERXIPESSI-UHFFFAOYSA-N -1 3 379.371 0.605 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000826452006 608317264 /nfs/dbraw/zinc/31/72/64/608317264.db2.gz FEOXJERXIPESSI-UHFFFAOYSA-N -1 3 379.371 0.605 20 0 GCADHM O=S(=O)(CCN1CCN([C@H]2CCOC2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484543 608319510 /nfs/dbraw/zinc/31/95/10/608319510.db2.gz HEKWQSVACRARKD-HNNXBMFYSA-N -1 3 392.485 0.047 20 0 GCADHM O=S(=O)(CCN1CCN([C@H]2CCOC2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484543 608319512 /nfs/dbraw/zinc/31/95/12/608319512.db2.gz HEKWQSVACRARKD-HNNXBMFYSA-N -1 3 392.485 0.047 20 0 GCADHM CNC(=O)[C@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826060549 608327384 /nfs/dbraw/zinc/32/73/84/608327384.db2.gz ONEZIJJJNOTHGC-CYBMUJFWSA-N -1 3 382.421 0.436 20 0 GCADHM CNC(=O)[C@H]1CCCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826060549 608327385 /nfs/dbraw/zinc/32/73/85/608327385.db2.gz ONEZIJJJNOTHGC-CYBMUJFWSA-N -1 3 382.421 0.436 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)c1nnc2n1CCC2 ZINC000824632718 608331093 /nfs/dbraw/zinc/33/10/93/608331093.db2.gz CKYBPMJTBMNCAU-SECBINFHSA-N -1 3 392.420 0.724 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1nnc2n1CCC2 ZINC000824632718 608331095 /nfs/dbraw/zinc/33/10/95/608331095.db2.gz CKYBPMJTBMNCAU-SECBINFHSA-N -1 3 392.420 0.724 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)[C@H](C)N1CCOCC1 ZINC000824632502 608331153 /nfs/dbraw/zinc/33/11/53/608331153.db2.gz APSJISACZWCRCD-NEPJUHHUSA-N -1 3 398.464 0.534 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)[C@H](C)N1CCOCC1 ZINC000824632502 608331155 /nfs/dbraw/zinc/33/11/55/608331155.db2.gz APSJISACZWCRCD-NEPJUHHUSA-N -1 3 398.464 0.534 20 0 GCADHM COC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826133304 608332003 /nfs/dbraw/zinc/33/20/03/608332003.db2.gz LHQWGZOEAUWGBV-NSHDSACASA-N -1 3 383.405 0.721 20 0 GCADHM COC(=O)[C@H]1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826133304 608332004 /nfs/dbraw/zinc/33/20/04/608332004.db2.gz LHQWGZOEAUWGBV-NSHDSACASA-N -1 3 383.405 0.721 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)Cc1cc(-c3nnn[n-]3)ccc1F)C2 ZINC000825771769 608332082 /nfs/dbraw/zinc/33/20/82/608332082.db2.gz QYCAXGWBUKUUAR-UHFFFAOYSA-N -1 3 392.420 0.505 20 0 GCADHM CCc1nnc2n1CCN(S(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)C2 ZINC000825771769 608332084 /nfs/dbraw/zinc/33/20/84/608332084.db2.gz QYCAXGWBUKUUAR-UHFFFAOYSA-N -1 3 392.420 0.505 20 0 GCADHM O=C1OCCN1CCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826483397 608332147 /nfs/dbraw/zinc/33/21/47/608332147.db2.gz MACTVEZTEATZFG-UHFFFAOYSA-N -1 3 384.393 0.268 20 0 GCADHM O=C1OCCN1CCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826483397 608332149 /nfs/dbraw/zinc/33/21/49/608332149.db2.gz MACTVEZTEATZFG-UHFFFAOYSA-N -1 3 384.393 0.268 20 0 GCADHM Cc1nnc2n1CCN(S(=O)(=O)Cc1cc(-c3nnn[n-]3)ccc1F)C2 ZINC000826337317 608332652 /nfs/dbraw/zinc/33/26/52/608332652.db2.gz KFYVXAGHDOTFGS-UHFFFAOYSA-N -1 3 378.393 0.251 20 0 GCADHM Cc1nnc2n1CCN(S(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)C2 ZINC000826337317 608332654 /nfs/dbraw/zinc/33/26/54/608332654.db2.gz KFYVXAGHDOTFGS-UHFFFAOYSA-N -1 3 378.393 0.251 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824860669 608332805 /nfs/dbraw/zinc/33/28/05/608332805.db2.gz XCIAJOOEXKNSTQ-IGSRQBSMSA-N -1 3 387.462 0.677 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824860669 608332807 /nfs/dbraw/zinc/33/28/07/608332807.db2.gz XCIAJOOEXKNSTQ-IGSRQBSMSA-N -1 3 387.462 0.677 20 0 GCADHM CCN1CCO[C@H](CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000825465044 608333098 /nfs/dbraw/zinc/33/30/98/608333098.db2.gz GTTHLEPCOBZOJF-CYBMUJFWSA-N -1 3 384.437 0.146 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824449708 608333224 /nfs/dbraw/zinc/33/32/24/608333224.db2.gz OUCZXGZOEJXSAM-VIFPVBQESA-N -1 3 391.450 0.201 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824449708 608333226 /nfs/dbraw/zinc/33/32/26/608333226.db2.gz OUCZXGZOEJXSAM-VIFPVBQESA-N -1 3 391.450 0.201 20 0 GCADHM CC(C)COC[C@H](O)CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824270780 608334371 /nfs/dbraw/zinc/33/43/71/608334371.db2.gz GTNPCIBUXZAGIW-CYBMUJFWSA-N -1 3 387.437 0.459 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1=O ZINC000824901628 608335913 /nfs/dbraw/zinc/33/59/13/608335913.db2.gz ZOGOWVYNHHILRO-LJWDBELGSA-N -1 3 394.432 0.435 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826485143 608336635 /nfs/dbraw/zinc/33/66/35/608336635.db2.gz DQXAKGOFCXAITR-GFCCVEGCSA-N -1 3 395.338 0.835 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CC[C@](O)(C(F)(F)F)C1 ZINC000826485143 608336637 /nfs/dbraw/zinc/33/66/37/608336637.db2.gz DQXAKGOFCXAITR-GFCCVEGCSA-N -1 3 395.338 0.835 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@H](C)C1 ZINC000823981771 608338662 /nfs/dbraw/zinc/33/86/62/608338662.db2.gz RBEMLFIWCYQUBP-SNVBAGLBSA-N -1 3 382.421 0.388 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@H](C)C1 ZINC000823981771 608338663 /nfs/dbraw/zinc/33/86/63/608338663.db2.gz RBEMLFIWCYQUBP-SNVBAGLBSA-N -1 3 382.421 0.388 20 0 GCADHM NC(=O)Cc1ccccc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826392254 608339466 /nfs/dbraw/zinc/33/94/66/608339466.db2.gz RVXKBSWPEZPGJW-UHFFFAOYSA-N -1 3 391.384 0.942 20 0 GCADHM NC(=O)Cc1ccccc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826392254 608339468 /nfs/dbraw/zinc/33/94/68/608339468.db2.gz RVXKBSWPEZPGJW-UHFFFAOYSA-N -1 3 391.384 0.942 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)[C@H]2CCCC[C@@H]2N1 ZINC000826481319 608339848 /nfs/dbraw/zinc/33/98/48/608339848.db2.gz PQGBQFRWLRLEHC-KBPBESRZSA-N -1 3 394.432 0.579 20 0 GCADHM O=C1CN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)[C@H]2CCCC[C@@H]2N1 ZINC000826481319 608339850 /nfs/dbraw/zinc/33/98/50/608339850.db2.gz PQGBQFRWLRLEHC-KBPBESRZSA-N -1 3 394.432 0.579 20 0 GCADHM CC(C)C(=O)NCCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824178435 608340156 /nfs/dbraw/zinc/34/01/56/608340156.db2.gz SCZUPSJHXXIWNT-UHFFFAOYSA-N -1 3 384.437 0.588 20 0 GCADHM CC(C)C(=O)NCCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824178435 608340159 /nfs/dbraw/zinc/34/01/59/608340159.db2.gz SCZUPSJHXXIWNT-UHFFFAOYSA-N -1 3 384.437 0.588 20 0 GCADHM CCc1nn(C)cc1NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000825762944 608340577 /nfs/dbraw/zinc/34/05/77/608340577.db2.gz LOSSJQSDIXSYJJ-UHFFFAOYSA-N -1 3 382.432 0.912 20 0 GCADHM CCc1nn(C)cc1NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000825762944 608340578 /nfs/dbraw/zinc/34/05/78/608340578.db2.gz LOSSJQSDIXSYJJ-UHFFFAOYSA-N -1 3 382.432 0.912 20 0 GCADHM CCc1nn(C)cc1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000825762897 608340889 /nfs/dbraw/zinc/34/08/89/608340889.db2.gz KJDDWPURNFEZAQ-UHFFFAOYSA-N -1 3 382.432 0.912 20 0 GCADHM CCc1nn(C)cc1NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000825762897 608340891 /nfs/dbraw/zinc/34/08/91/608340891.db2.gz KJDDWPURNFEZAQ-UHFFFAOYSA-N -1 3 382.432 0.912 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825659128 608341088 /nfs/dbraw/zinc/34/10/88/608341088.db2.gz ONQLAXROBURPEL-VIFPVBQESA-N -1 3 391.450 0.248 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825659128 608341090 /nfs/dbraw/zinc/34/10/90/608341090.db2.gz ONQLAXROBURPEL-VIFPVBQESA-N -1 3 391.450 0.248 20 0 GCADHM CCC[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCN1CCOC ZINC000825261147 608342578 /nfs/dbraw/zinc/34/25/78/608342578.db2.gz VFKOMLOWEPJIKI-HNNXBMFYSA-N -1 3 394.501 0.988 20 0 GCADHM CCC[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCN1CCOC ZINC000825261147 608342580 /nfs/dbraw/zinc/34/25/80/608342580.db2.gz VFKOMLOWEPJIKI-HNNXBMFYSA-N -1 3 394.501 0.988 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000825958525 608342794 /nfs/dbraw/zinc/34/27/94/608342794.db2.gz ZLSREMSBGNPTCB-UHFFFAOYSA-N -1 3 397.370 0.702 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000825958525 608342796 /nfs/dbraw/zinc/34/27/96/608342796.db2.gz ZLSREMSBGNPTCB-UHFFFAOYSA-N -1 3 397.370 0.702 20 0 GCADHM O=C(COC(=O)C1=NNC(=O)CC1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826479580 608343335 /nfs/dbraw/zinc/34/33/35/608343335.db2.gz BYMYFLBBQWZXAJ-UHFFFAOYSA-N -1 3 377.748 0.268 20 0 GCADHM O=C(COC(=O)C1=NNC(=O)CC1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826479580 608343337 /nfs/dbraw/zinc/34/33/37/608343337.db2.gz BYMYFLBBQWZXAJ-UHFFFAOYSA-N -1 3 377.748 0.268 20 0 GCADHM CCN(C(=O)CS(=O)(=O)CCOC)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825371089 608343521 /nfs/dbraw/zinc/34/35/21/608343521.db2.gz BFZZMCNJMXDTKK-UHFFFAOYSA-N -1 3 387.849 0.934 20 0 GCADHM CCN(C(=O)CS(=O)(=O)CCOC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825371089 608343523 /nfs/dbraw/zinc/34/35/23/608343523.db2.gz BFZZMCNJMXDTKK-UHFFFAOYSA-N -1 3 387.849 0.934 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cn1nnc2ccccc2c1=O ZINC000826172140 608345607 /nfs/dbraw/zinc/34/56/07/608345607.db2.gz OWGBSWOXNOPFHO-UHFFFAOYSA-N -1 3 393.363 0.724 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cn1nnc2ccccc2c1=O ZINC000826172140 608345610 /nfs/dbraw/zinc/34/56/10/608345610.db2.gz OWGBSWOXNOPFHO-UHFFFAOYSA-N -1 3 393.363 0.724 20 0 GCADHM COCCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000826157104 608350388 /nfs/dbraw/zinc/35/03/88/608350388.db2.gz HWRNNCLRTGTYCG-CQSZACIVSA-N -1 3 394.457 0.212 20 0 GCADHM COCCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000826157104 608350390 /nfs/dbraw/zinc/35/03/90/608350390.db2.gz HWRNNCLRTGTYCG-CQSZACIVSA-N -1 3 394.457 0.212 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000826169322 608352875 /nfs/dbraw/zinc/35/28/75/608352875.db2.gz OYZQGJGPVHWJIS-HNNXBMFYSA-N -1 3 392.485 0.180 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000826169322 608352877 /nfs/dbraw/zinc/35/28/77/608352877.db2.gz OYZQGJGPVHWJIS-HNNXBMFYSA-N -1 3 392.485 0.180 20 0 GCADHM CCc1cc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)[nH]n1 ZINC000825700856 608353462 /nfs/dbraw/zinc/35/34/62/608353462.db2.gz WOZQLPFNSHLIAA-UHFFFAOYSA-N -1 3 386.420 0.359 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)n1 ZINC000824142465 608354135 /nfs/dbraw/zinc/35/41/35/608354135.db2.gz UIHFXFDRQGKBKY-GFCCVEGCSA-N -1 3 399.459 0.229 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)n1 ZINC000824148522 608357778 /nfs/dbraw/zinc/35/77/78/608357778.db2.gz YJAYGCWGERUXJG-SNVBAGLBSA-N -1 3 398.431 0.154 20 0 GCADHM CC1(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)OCCO1 ZINC000824824811 608359614 /nfs/dbraw/zinc/35/96/14/608359614.db2.gz XWOPAHMOPAYUGH-UHFFFAOYSA-N -1 3 398.326 0.286 20 0 GCADHM CC1(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)OCCO1 ZINC000824824811 608359616 /nfs/dbraw/zinc/35/96/16/608359616.db2.gz XWOPAHMOPAYUGH-UHFFFAOYSA-N -1 3 398.326 0.286 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@@H]1O ZINC000824967607 608359676 /nfs/dbraw/zinc/35/96/76/608359676.db2.gz LGOOZPJERAJLOB-HQJQHLMTSA-N -1 3 384.318 0.663 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@@H]1O ZINC000824967607 608359678 /nfs/dbraw/zinc/35/96/78/608359678.db2.gz LGOOZPJERAJLOB-HQJQHLMTSA-N -1 3 384.318 0.663 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N1CCC2(C1)OCCO2 ZINC000826451148 608360264 /nfs/dbraw/zinc/36/02/64/608360264.db2.gz RUFWZJXDLBHGCM-UHFFFAOYSA-N -1 3 378.776 0.434 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N1CCC2(C1)OCCO2 ZINC000826451148 608360266 /nfs/dbraw/zinc/36/02/66/608360266.db2.gz RUFWZJXDLBHGCM-UHFFFAOYSA-N -1 3 378.776 0.434 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cccc1-c1nn[n-]n1 ZINC000826240570 608360316 /nfs/dbraw/zinc/36/03/16/608360316.db2.gz AGDOSFHWQKMPTE-HOTGVXAUSA-N -1 3 399.455 0.171 20 0 GCADHM C[C@@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000824406115 608360922 /nfs/dbraw/zinc/36/09/22/608360922.db2.gz DAIJXGKFUZXDRT-HUVZLPTESA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CC[S@@](C)=O)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000824406115 608360924 /nfs/dbraw/zinc/36/09/24/608360924.db2.gz DAIJXGKFUZXDRT-HUVZLPTESA-N -1 3 384.849 0.732 20 0 GCADHM 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390.400 0.551 20 0 GCADHM CC(C)(C)OC(=O)NCC(=O)NCC(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000824109027 608376371 /nfs/dbraw/zinc/37/63/71/608376371.db2.gz MHQIFIIAUVKRGQ-UHFFFAOYSA-N -1 3 390.400 0.551 20 0 GCADHM CC(=O)C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823967492 608381666 /nfs/dbraw/zinc/38/16/66/608381666.db2.gz MGFZXLWETYPHDB-KOLCDFICSA-N -1 3 380.430 0.017 20 0 GCADHM CC(=O)C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823967492 608381667 /nfs/dbraw/zinc/38/16/67/608381667.db2.gz MGFZXLWETYPHDB-KOLCDFICSA-N -1 3 380.430 0.017 20 0 GCADHM CC(=O)C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823967494 608382010 /nfs/dbraw/zinc/38/20/10/608382010.db2.gz MGFZXLWETYPHDB-MWLCHTKSSA-N -1 3 380.430 0.017 20 0 GCADHM CC(=O)C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823967494 608382012 /nfs/dbraw/zinc/38/20/12/608382012.db2.gz MGFZXLWETYPHDB-MWLCHTKSSA-N -1 3 380.430 0.017 20 0 GCADHM 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385.428 0.699 20 0 GCADHM C[C@H]1CCOCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000824967789 608400264 /nfs/dbraw/zinc/40/02/64/608400264.db2.gz NDWRVPLQHIZFMJ-ZDUSSCGKSA-N -1 3 385.428 0.699 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000826392978 608405707 /nfs/dbraw/zinc/40/57/07/608405707.db2.gz WAPQATGVUAALLP-ZDUSSCGKSA-N -1 3 395.427 0.778 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000826392978 608405709 /nfs/dbraw/zinc/40/57/09/608405709.db2.gz WAPQATGVUAALLP-ZDUSSCGKSA-N -1 3 395.427 0.778 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824499917 608405769 /nfs/dbraw/zinc/40/57/69/608405769.db2.gz SLLWQAKRMVXIDX-GLQYFDAESA-N -1 3 387.444 0.863 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824499917 608405770 /nfs/dbraw/zinc/40/57/70/608405770.db2.gz SLLWQAKRMVXIDX-GLQYFDAESA-N -1 3 387.444 0.863 20 0 GCADHM O=C(CSc1nnc(CO)n1C1CC1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826421688 608409436 /nfs/dbraw/zinc/40/94/36/608409436.db2.gz UMOYHFUKAZQEIU-UHFFFAOYSA-N -1 3 386.441 0.694 20 0 GCADHM O=C(CSc1nnc(CO)n1C1CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826421688 608409438 /nfs/dbraw/zinc/40/94/38/608409438.db2.gz UMOYHFUKAZQEIU-UHFFFAOYSA-N -1 3 386.441 0.694 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C[C@H](O)C(F)(F)F ZINC000825946449 608420466 /nfs/dbraw/zinc/42/04/66/608420466.db2.gz YOYGBWJRJPSJFH-NSHDSACASA-N -1 3 379.364 0.495 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C[C@H](O)C(F)(F)F ZINC000825946449 608420467 /nfs/dbraw/zinc/42/04/67/608420467.db2.gz YOYGBWJRJPSJFH-NSHDSACASA-N -1 3 379.364 0.495 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000826255139 608420845 /nfs/dbraw/zinc/42/08/45/608420845.db2.gz NEGRWMZWIWUPRZ-UHFFFAOYSA-N -1 3 390.425 0.983 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 ZINC000826255139 608420846 /nfs/dbraw/zinc/42/08/46/608420846.db2.gz NEGRWMZWIWUPRZ-UHFFFAOYSA-N -1 3 390.425 0.983 20 0 GCADHM CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826145232 608421686 /nfs/dbraw/zinc/42/16/86/608421686.db2.gz CAKDZGCAMXTUGE-UKRRQHHQSA-N -1 3 386.460 0.908 20 0 GCADHM CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826145232 608421688 /nfs/dbraw/zinc/42/16/88/608421688.db2.gz CAKDZGCAMXTUGE-UKRRQHHQSA-N -1 3 386.460 0.908 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC000823981315 608422888 /nfs/dbraw/zinc/42/28/88/608422888.db2.gz MPAYNKPVLCFALV-UHFFFAOYSA-N -1 3 378.458 0.639 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC000823981315 608422890 /nfs/dbraw/zinc/42/28/90/608422890.db2.gz MPAYNKPVLCFALV-UHFFFAOYSA-N -1 3 378.458 0.639 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1-c1nnn[n-]1 ZINC000826302746 608424233 /nfs/dbraw/zinc/42/42/33/608424233.db2.gz RIAJADOFHIHHTP-NWDGAFQWSA-N -1 3 394.457 0.089 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1-c1nn[n-]n1 ZINC000826302746 608424235 /nfs/dbraw/zinc/42/42/35/608424235.db2.gz RIAJADOFHIHHTP-NWDGAFQWSA-N -1 3 394.457 0.089 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000824745331 608428701 /nfs/dbraw/zinc/42/87/01/608428701.db2.gz RAEKGJVRTLWTPY-ZOWXZIJZSA-N -1 3 388.428 0.386 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000824745331 608428702 /nfs/dbraw/zinc/42/87/02/608428702.db2.gz RAEKGJVRTLWTPY-ZOWXZIJZSA-N -1 3 388.428 0.386 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000824737655 608428792 /nfs/dbraw/zinc/42/87/92/608428792.db2.gz JTXOJVBQHRJDPB-NILFDRSVSA-N -1 3 388.428 0.386 20 0 GCADHM CN1CC(=O)N(CCCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1=O ZINC000826016447 608439272 /nfs/dbraw/zinc/43/92/72/608439272.db2.gz DOXRLRVSGPFUEF-UHFFFAOYSA-N -1 3 376.348 0.723 20 0 GCADHM CN1CC(=O)N(CCCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1=O ZINC000826016447 608439274 /nfs/dbraw/zinc/43/92/74/608439274.db2.gz DOXRLRVSGPFUEF-UHFFFAOYSA-N -1 3 376.348 0.723 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)OCc1cccc(-c3nnn[n-]3)c1F)c2=O ZINC000826366282 608439770 /nfs/dbraw/zinc/43/97/70/608439770.db2.gz AOAFYDOIYDJXGI-UHFFFAOYSA-N -1 3 384.331 0.193 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)OCc1cccc(-c3nn[n-]n3)c1F)c2=O ZINC000826366282 608439772 /nfs/dbraw/zinc/43/97/72/608439772.db2.gz AOAFYDOIYDJXGI-UHFFFAOYSA-N -1 3 384.331 0.193 20 0 GCADHM CS[C@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C[C@@H]1N(C)C ZINC000826226479 608443618 /nfs/dbraw/zinc/44/36/18/608443618.db2.gz AMHYIIWDLCISCG-RYUDHWBXSA-N -1 3 382.515 0.841 20 0 GCADHM CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1N(C)C ZINC000826227652 608443768 /nfs/dbraw/zinc/44/37/68/608443768.db2.gz VFCDVFOCFZGHKO-CHWSQXEVSA-N -1 3 386.478 0.672 20 0 GCADHM Cc1ccnc2c1NC(=O)CN2S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826314752 608445562 /nfs/dbraw/zinc/44/55/62/608445562.db2.gz LLVHAWSBBODDAQ-UHFFFAOYSA-N -1 3 389.372 0.857 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826394422 608446827 /nfs/dbraw/zinc/44/68/27/608446827.db2.gz JNJBFUCWNKDWCU-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826394422 608446829 /nfs/dbraw/zinc/44/68/29/608446829.db2.gz JNJBFUCWNKDWCU-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM C[C@H](C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)N1CCSCC1 ZINC000824052084 608452371 /nfs/dbraw/zinc/45/23/71/608452371.db2.gz KXOVWDXSTNVASW-MFKMUULPSA-N -1 3 376.442 0.374 20 0 GCADHM C[C@H](C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)N1CCSCC1 ZINC000824052084 608452373 /nfs/dbraw/zinc/45/23/73/608452373.db2.gz KXOVWDXSTNVASW-MFKMUULPSA-N -1 3 376.442 0.374 20 0 GCADHM Cc1cc(F)ccc1-n1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)nn1 ZINC000826268265 608454038 /nfs/dbraw/zinc/45/40/38/608454038.db2.gz QEHGHONLVJMIKA-UHFFFAOYSA-N -1 3 398.362 0.531 20 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608458412 /nfs/dbraw/zinc/45/84/12/608458412.db2.gz ADPCUPDUOVSLQJ-OAHLLOKOSA-N -1 3 380.430 0.405 20 0 GCADHM COC(=O)[C@@]1(NCC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CCOC1 ZINC000826123226 608458414 /nfs/dbraw/zinc/45/84/14/608458414.db2.gz ADPCUPDUOVSLQJ-OAHLLOKOSA-N -1 3 380.430 0.405 20 0 GCADHM COC(=O)[C@@]1(NCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCOC1 ZINC000826124475 608458649 /nfs/dbraw/zinc/45/86/49/608458649.db2.gz RPHLSNJBEYATMC-OAHLLOKOSA-N -1 3 380.792 0.380 20 0 GCADHM COC(=O)[C@@]1(NCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCOC1 ZINC000826124475 608458650 /nfs/dbraw/zinc/45/86/50/608458650.db2.gz RPHLSNJBEYATMC-OAHLLOKOSA-N -1 3 380.792 0.380 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCc1ccc(S(N)(=O)=O)cc1 ZINC000826358177 608459197 /nfs/dbraw/zinc/45/91/97/608459197.db2.gz JDVVQDPMPBUNHK-UHFFFAOYSA-N -1 3 376.398 0.252 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCc1ccc(S(N)(=O)=O)cc1 ZINC000826358177 608459198 /nfs/dbraw/zinc/45/91/98/608459198.db2.gz JDVVQDPMPBUNHK-UHFFFAOYSA-N -1 3 376.398 0.252 20 0 GCADHM CC(C)(C)S(=O)(=O)CC(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824124757 608470650 /nfs/dbraw/zinc/47/06/50/608470650.db2.gz ZDZXBTMLQDNAJM-UHFFFAOYSA-N -1 3 395.441 0.239 20 0 GCADHM CC(C)(C)S(=O)(=O)CC(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824124757 608470652 /nfs/dbraw/zinc/47/06/52/608470652.db2.gz ZDZXBTMLQDNAJM-UHFFFAOYSA-N -1 3 395.441 0.239 20 0 GCADHM CC[C@H](CSC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825125175 608474725 /nfs/dbraw/zinc/47/47/25/608474725.db2.gz AWBADMBORGJJDK-ZYHUDNBSSA-N -1 3 398.514 0.791 20 0 GCADHM CC[C@H](CSC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825125175 608474726 /nfs/dbraw/zinc/47/47/26/608474726.db2.gz AWBADMBORGJJDK-ZYHUDNBSSA-N -1 3 398.514 0.791 20 0 GCADHM CC[C@@H](CSC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825128755 608474893 /nfs/dbraw/zinc/47/48/93/608474893.db2.gz YIOBTYRRONTJJA-PWSUYJOCSA-N -1 3 398.514 0.791 20 0 GCADHM CC[C@@H](CSC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825128755 608474894 /nfs/dbraw/zinc/47/48/94/608474894.db2.gz YIOBTYRRONTJJA-PWSUYJOCSA-N -1 3 398.514 0.791 20 0 GCADHM Cn1ncc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1-c1ccccc1 ZINC000826365725 608475551 /nfs/dbraw/zinc/47/55/51/608475551.db2.gz AFAZOIJQBXFCSQ-UHFFFAOYSA-N -1 3 379.384 0.903 20 0 GCADHM Cn1ncc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1-c1ccccc1 ZINC000826365725 608475553 /nfs/dbraw/zinc/47/55/53/608475553.db2.gz AFAZOIJQBXFCSQ-UHFFFAOYSA-N -1 3 379.384 0.903 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000826186050 608479030 /nfs/dbraw/zinc/47/90/30/608479030.db2.gz BSNXOHCZBLVFTJ-SMDDNHRTSA-N -1 3 389.416 0.633 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000826186050 608479032 /nfs/dbraw/zinc/47/90/32/608479032.db2.gz BSNXOHCZBLVFTJ-SMDDNHRTSA-N -1 3 389.416 0.633 20 0 GCADHM O=C(Cn1ccc(=O)[nH]c1=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826424308 608487158 /nfs/dbraw/zinc/48/71/58/608487158.db2.gz FYDWMCALWULEES-UHFFFAOYSA-N -1 3 379.380 0.445 20 0 GCADHM O=C(Cn1ccc(=O)[nH]c1=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826424308 608487160 /nfs/dbraw/zinc/48/71/60/608487160.db2.gz FYDWMCALWULEES-UHFFFAOYSA-N -1 3 379.380 0.445 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000824288415 608489871 /nfs/dbraw/zinc/48/98/71/608489871.db2.gz FEHFWEANDRMOLT-UHFFFAOYSA-N -1 3 396.477 0.138 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000824288415 608489872 /nfs/dbraw/zinc/48/98/72/608489872.db2.gz FEHFWEANDRMOLT-UHFFFAOYSA-N -1 3 396.477 0.138 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@H]1c1nncn1C ZINC000826175122 608490275 /nfs/dbraw/zinc/49/02/75/608490275.db2.gz UFBCAXZXBGCNKT-LBPRGKRZSA-N -1 3 384.400 0.746 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@H]1c1nncn1C ZINC000826175122 608490277 /nfs/dbraw/zinc/49/02/77/608490277.db2.gz UFBCAXZXBGCNKT-LBPRGKRZSA-N -1 3 384.400 0.746 20 0 GCADHM Cn1cnnc1[C@H]1CCCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826365258 608492059 /nfs/dbraw/zinc/49/20/59/608492059.db2.gz GXHZQAMQROOOFV-CQSZACIVSA-N -1 3 383.416 0.921 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)CCNC(=O)C(C)C ZINC000826185063 608493114 /nfs/dbraw/zinc/49/31/14/608493114.db2.gz XDGDCPYCMHHQKC-UHFFFAOYSA-N -1 3 389.416 0.044 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CCNC(=O)C(C)C ZINC000826185063 608493115 /nfs/dbraw/zinc/49/31/15/608493115.db2.gz XDGDCPYCMHHQKC-UHFFFAOYSA-N -1 3 389.416 0.044 20 0 GCADHM O=C(c1cccnc1)N1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000826475142 608496609 /nfs/dbraw/zinc/49/66/09/608496609.db2.gz UPCFMHMAUDICFA-UHFFFAOYSA-N -1 3 389.423 0.867 20 0 GCADHM O=C(c1cccnc1)N1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000826475142 608496610 /nfs/dbraw/zinc/49/66/10/608496610.db2.gz UPCFMHMAUDICFA-UHFFFAOYSA-N -1 3 389.423 0.867 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000825417412 608506026 /nfs/dbraw/zinc/50/60/26/608506026.db2.gz RFFCNFVADABEGU-UHFFFAOYSA-N -1 3 385.519 0.632 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000825417412 608506027 /nfs/dbraw/zinc/50/60/27/608506027.db2.gz RFFCNFVADABEGU-UHFFFAOYSA-N -1 3 385.519 0.632 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000824041211 608510338 /nfs/dbraw/zinc/51/03/38/608510338.db2.gz ZIHTWPCDVNEGHO-ZDUSSCGKSA-N -1 3 395.471 0.299 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000824041211 608510340 /nfs/dbraw/zinc/51/03/40/608510340.db2.gz ZIHTWPCDVNEGHO-ZDUSSCGKSA-N -1 3 395.471 0.299 20 0 GCADHM c1cc(-c2nnn[n-]2)cc(N2CCN(Cc3cnc(N4CCCC4)nc3)CC2)n1 ZINC000826513566 608513815 /nfs/dbraw/zinc/51/38/15/608513815.db2.gz OZMRVQPQFIUIAV-UHFFFAOYSA-N -1 3 392.471 0.974 20 0 GCADHM c1cc(-c2nn[n-]n2)cc(N2CCN(Cc3cnc(N4CCCC4)nc3)CC2)n1 ZINC000826513566 608513817 /nfs/dbraw/zinc/51/38/17/608513817.db2.gz OZMRVQPQFIUIAV-UHFFFAOYSA-N -1 3 392.471 0.974 20 0 GCADHM C[C@H](NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824492510 608534524 /nfs/dbraw/zinc/53/45/24/608534524.db2.gz ZXEDUFORNCVFBB-NSHDSACASA-N -1 3 398.427 0.654 20 0 GCADHM C[C@H](NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824492510 608534526 /nfs/dbraw/zinc/53/45/26/608534526.db2.gz ZXEDUFORNCVFBB-NSHDSACASA-N -1 3 398.427 0.654 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCSC[C@H]1CCO ZINC000826438980 608535750 /nfs/dbraw/zinc/53/57/50/608535750.db2.gz ZHPKRYSPWUILAZ-CYBMUJFWSA-N -1 3 378.458 0.755 20 0 GCADHM COc1ccc(CN2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)cc1-c1nnn[n-]1 ZINC000826193582 608544004 /nfs/dbraw/zinc/54/40/04/608544004.db2.gz HZVSTQBUXPKBKU-KRWDZBQOSA-N -1 3 382.384 0.576 20 0 GCADHM COc1ccc(CN2C(=O)N[C@@](C)(c3cnn(C)c3)C2=O)cc1-c1nn[n-]n1 ZINC000826193582 608544006 /nfs/dbraw/zinc/54/40/06/608544006.db2.gz HZVSTQBUXPKBKU-KRWDZBQOSA-N -1 3 382.384 0.576 20 0 GCADHM COCCN1CCN(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000826159876 608546134 /nfs/dbraw/zinc/54/61/34/608546134.db2.gz WHGAKNGEFPBHHU-UHFFFAOYSA-N -1 3 397.443 0.182 20 0 GCADHM COCCN1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000826159876 608546136 /nfs/dbraw/zinc/54/61/36/608546136.db2.gz WHGAKNGEFPBHHU-UHFFFAOYSA-N -1 3 397.443 0.182 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(CCCOc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000826359906 608546494 /nfs/dbraw/zinc/54/64/94/608546494.db2.gz SLLZQBSQOHSNHD-GOSISDBHSA-N -1 3 396.411 0.836 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(CCCOc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000826359906 608546496 /nfs/dbraw/zinc/54/64/96/608546496.db2.gz SLLZQBSQOHSNHD-GOSISDBHSA-N -1 3 396.411 0.836 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NCCC1CCS(=O)(=O)CC1 ZINC000826417330 608548887 /nfs/dbraw/zinc/54/88/87/608548887.db2.gz MZVHNLZFSIXACQ-UHFFFAOYSA-N -1 3 379.442 0.577 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826393635 608549930 /nfs/dbraw/zinc/54/99/30/608549930.db2.gz BOXUUXDQHSCISY-SECBINFHSA-N -1 3 385.837 0.805 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826393635 608549932 /nfs/dbraw/zinc/54/99/32/608549932.db2.gz BOXUUXDQHSCISY-SECBINFHSA-N -1 3 385.837 0.805 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@H]1O ZINC000824991375 608563022 /nfs/dbraw/zinc/56/30/22/608563022.db2.gz AGEADLYUZSFHCS-GMSGAONNSA-N -1 3 377.348 0.887 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000824206204 608564519 /nfs/dbraw/zinc/56/45/19/608564519.db2.gz BCHFWNHFCHYUAK-GWCFXTLKSA-N -1 3 382.446 0.063 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000824206204 608564521 /nfs/dbraw/zinc/56/45/21/608564521.db2.gz BCHFWNHFCHYUAK-GWCFXTLKSA-N -1 3 382.446 0.063 20 0 GCADHM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826390835 608566057 /nfs/dbraw/zinc/56/60/57/608566057.db2.gz NRHTUSICGSPWFI-SNVBAGLBSA-N -1 3 388.862 0.112 20 0 GCADHM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826390835 608566059 /nfs/dbraw/zinc/56/60/59/608566059.db2.gz NRHTUSICGSPWFI-SNVBAGLBSA-N -1 3 388.862 0.112 20 0 GCADHM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826390714 608566187 /nfs/dbraw/zinc/56/61/87/608566187.db2.gz JRRWWPBVAJVVOV-SECBINFHSA-N -1 3 388.862 0.112 20 0 GCADHM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826390834 608566307 /nfs/dbraw/zinc/56/63/07/608566307.db2.gz NRHTUSICGSPWFI-JTQLQIEISA-N -1 3 388.862 0.112 20 0 GCADHM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826390834 608566309 /nfs/dbraw/zinc/56/63/09/608566309.db2.gz NRHTUSICGSPWFI-JTQLQIEISA-N -1 3 388.862 0.112 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NC[C@@H](O)c1ccccn1 ZINC000826485859 608566888 /nfs/dbraw/zinc/56/68/88/608566888.db2.gz GEKNGQGXEIXEBC-CQSZACIVSA-N -1 3 378.389 0.554 20 0 GCADHM C[C@@H](O)CN(C)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824707550 608567107 /nfs/dbraw/zinc/56/71/07/608567107.db2.gz SPTOWCOHNLEFEL-SSDOTTSWSA-N -1 3 376.236 0.631 20 0 GCADHM C[C@@H](O)CN(C)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824707550 608567109 /nfs/dbraw/zinc/56/71/09/608567109.db2.gz SPTOWCOHNLEFEL-SSDOTTSWSA-N -1 3 376.236 0.631 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nnn[n-]1)N1CCN(CCCO)CC1 ZINC000826494496 608567290 /nfs/dbraw/zinc/56/72/90/608567290.db2.gz DZSVNNAARLAVGO-UHFFFAOYSA-N -1 3 386.865 0.209 20 0 GCADHM O=S(=O)(c1ccc(Cl)cc1-c1nn[n-]n1)N1CCN(CCCO)CC1 ZINC000826494496 608567292 /nfs/dbraw/zinc/56/72/92/608567292.db2.gz DZSVNNAARLAVGO-UHFFFAOYSA-N -1 3 386.865 0.209 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCSC[C@H]1CO ZINC000826494173 608567552 /nfs/dbraw/zinc/56/75/52/608567552.db2.gz QZVTYKRMJNGWAE-MRVPVSSYSA-N -1 3 377.398 0.243 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCSC[C@H]1CO ZINC000826494173 608567554 /nfs/dbraw/zinc/56/75/54/608567554.db2.gz QZVTYKRMJNGWAE-MRVPVSSYSA-N -1 3 377.398 0.243 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825465082 608567961 /nfs/dbraw/zinc/56/79/61/608567961.db2.gz HTFGMVSHTQOGGF-KRWDZBQOSA-N -1 3 386.456 0.957 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825464884 608569959 /nfs/dbraw/zinc/56/99/59/608569959.db2.gz DYHLBVBKLKJVSQ-QGZVFWFLSA-N -1 3 386.456 0.957 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825464884 608569960 /nfs/dbraw/zinc/56/99/60/608569960.db2.gz DYHLBVBKLKJVSQ-QGZVFWFLSA-N -1 3 386.456 0.957 20 0 GCADHM O=C(CN1c2ccccc2CS1(=O)=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826411893 608585178 /nfs/dbraw/zinc/58/51/78/608585178.db2.gz RLKGZHKXWOIONT-UHFFFAOYSA-N -1 3 384.421 0.833 20 0 GCADHM O=C(CN1c2ccccc2CS1(=O)=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826411893 608585180 /nfs/dbraw/zinc/58/51/80/608585180.db2.gz RLKGZHKXWOIONT-UHFFFAOYSA-N -1 3 384.421 0.833 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000826395764 608591493 /nfs/dbraw/zinc/59/14/93/608591493.db2.gz RWHABFDNMLANJH-HNNXBMFYSA-N -1 3 382.428 0.853 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000826395764 608591494 /nfs/dbraw/zinc/59/14/94/608591494.db2.gz RWHABFDNMLANJH-HNNXBMFYSA-N -1 3 382.428 0.853 20 0 GCADHM CNC(=O)C1(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC000826050739 608603122 /nfs/dbraw/zinc/60/31/22/608603122.db2.gz CAEFOQFZNLDUDW-UHFFFAOYSA-N -1 3 385.428 0.594 20 0 GCADHM CNC(=O)C1(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC000826050739 608603123 /nfs/dbraw/zinc/60/31/23/608603123.db2.gz CAEFOQFZNLDUDW-UHFFFAOYSA-N -1 3 385.428 0.594 20 0 GCADHM CNC(=O)C1(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)CCC1 ZINC000826053214 608605569 /nfs/dbraw/zinc/60/55/69/608605569.db2.gz WIAQEZIPKDBSBQ-UHFFFAOYSA-N -1 3 399.455 0.984 20 0 GCADHM CNC(=O)C1(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)CCC1 ZINC000826053214 608605571 /nfs/dbraw/zinc/60/55/71/608605571.db2.gz WIAQEZIPKDBSBQ-UHFFFAOYSA-N -1 3 399.455 0.984 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000826393055 608605880 /nfs/dbraw/zinc/60/58/80/608605880.db2.gz ZOBLNKYKDFLZSW-UHFFFAOYSA-N -1 3 396.411 0.809 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000826393055 608605883 /nfs/dbraw/zinc/60/58/83/608605883.db2.gz ZOBLNKYKDFLZSW-UHFFFAOYSA-N -1 3 396.411 0.809 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCC(=O)NC1 ZINC000826479891 608606675 /nfs/dbraw/zinc/60/66/75/608606675.db2.gz LHPVXIKHECKJEU-IYXRBSQSSA-N -1 3 385.428 0.594 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCC(=O)NC1 ZINC000826479891 608606676 /nfs/dbraw/zinc/60/66/76/608606676.db2.gz LHPVXIKHECKJEU-IYXRBSQSSA-N -1 3 385.428 0.594 20 0 GCADHM C[S@](=O)CCNC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826225273 608615551 /nfs/dbraw/zinc/61/55/51/608615551.db2.gz XMTCUSLJYNOQSL-XOIGJELZSA-N -1 3 393.473 0.629 20 0 GCADHM C[S@](=O)CCNC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826225273 608615554 /nfs/dbraw/zinc/61/55/54/608615554.db2.gz XMTCUSLJYNOQSL-XOIGJELZSA-N -1 3 393.473 0.629 20 0 GCADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)NC[C@@H](C)O)c1C ZINC000826331569 608620349 /nfs/dbraw/zinc/62/03/49/608620349.db2.gz OJEFVORELOXOHJ-SECBINFHSA-N -1 3 384.400 0.105 20 0 GCADHM Cc1nc(SCC(=O)N2C[C@@H](CO)OC[C@@H]2C)c(-c2nnn[n-]2)c(C)c1C ZINC000826327689 608620459 /nfs/dbraw/zinc/62/04/59/608620459.db2.gz QFCBVXBPGPEXSC-ZANVPECISA-N -1 3 392.485 0.887 20 0 GCADHM Cc1nc(SCC(=O)N2C[C@@H](CO)OC[C@@H]2C)c(-c2nn[n-]n2)c(C)c1C ZINC000826327689 608620462 /nfs/dbraw/zinc/62/04/62/608620462.db2.gz QFCBVXBPGPEXSC-ZANVPECISA-N -1 3 392.485 0.887 20 0 GCADHM Cn1cnc(CNC(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826364824 608620627 /nfs/dbraw/zinc/62/06/27/608620627.db2.gz NAMZBIVEVIJXBI-UHFFFAOYSA-N -1 3 398.431 0.580 20 0 GCADHM Cn1cnc(CNC(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826364824 608620629 /nfs/dbraw/zinc/62/06/29/608620629.db2.gz NAMZBIVEVIJXBI-UHFFFAOYSA-N -1 3 398.431 0.580 20 0 GCADHM NC(=O)c1cccnc1N1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826393795 608652828 /nfs/dbraw/zinc/65/28/28/608652828.db2.gz KABSLSVEELRTOQ-UHFFFAOYSA-N -1 3 382.403 0.822 20 0 GCADHM NC(=O)c1cccnc1N1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826393795 608652829 /nfs/dbraw/zinc/65/28/29/608652829.db2.gz KABSLSVEELRTOQ-UHFFFAOYSA-N -1 3 382.403 0.822 20 0 GCADHM Cn1ccnc1CN1CCN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CC1 ZINC000826364354 608684449 /nfs/dbraw/zinc/68/44/49/608684449.db2.gz SUUSGQPFCUXCLX-UHFFFAOYSA-N -1 3 378.444 0.566 20 0 GCADHM Cn1ccnc1CN1CCN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CC1 ZINC000826364354 608684452 /nfs/dbraw/zinc/68/44/52/608684452.db2.gz SUUSGQPFCUXCLX-UHFFFAOYSA-N -1 3 378.444 0.566 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824984827 608689552 /nfs/dbraw/zinc/68/95/52/608689552.db2.gz OANIFBKEOYSFLM-KBPBESRZSA-N -1 3 377.518 0.765 20 0 GCADHM O=C([C@H]1COc2ccccc2O1)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826399297 608770126 /nfs/dbraw/zinc/77/01/26/608770126.db2.gz RZAYFMSUKKYUQR-QGZVFWFLSA-N -1 3 393.407 0.750 20 0 GCADHM O=C([C@H]1COc2ccccc2O1)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826399297 608770127 /nfs/dbraw/zinc/77/01/27/608770127.db2.gz RZAYFMSUKKYUQR-QGZVFWFLSA-N -1 3 393.407 0.750 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826395255 608775705 /nfs/dbraw/zinc/77/57/05/608775705.db2.gz UECRVRCDQZCMSH-UHFFFAOYSA-N -1 3 386.441 0.236 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826395255 608775707 /nfs/dbraw/zinc/77/57/07/608775707.db2.gz UECRVRCDQZCMSH-UHFFFAOYSA-N -1 3 386.441 0.236 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC(O)(C(=O)OC)CC1 ZINC000825621878 608808312 /nfs/dbraw/zinc/80/83/12/608808312.db2.gz ZVITVJIISJGQBA-UHFFFAOYSA-N -1 3 390.400 0.797 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC(O)(C(=O)OC)CC1 ZINC000825621878 608808314 /nfs/dbraw/zinc/80/83/14/608808314.db2.gz ZVITVJIISJGQBA-UHFFFAOYSA-N -1 3 390.400 0.797 20 0 GCADHM CC(C)(C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)S(C)(=O)=O ZINC000824065362 608810196 /nfs/dbraw/zinc/81/01/96/608810196.db2.gz YOBXHJCJYZSLQP-UHFFFAOYSA-N -1 3 389.441 0.696 20 0 GCADHM CC(C)(C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)S(C)(=O)=O ZINC000824065362 608810199 /nfs/dbraw/zinc/81/01/99/608810199.db2.gz YOBXHJCJYZSLQP-UHFFFAOYSA-N -1 3 389.441 0.696 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)[C@H](O)C1CCOCC1 ZINC000826443956 608812596 /nfs/dbraw/zinc/81/25/96/608812596.db2.gz LDKQRAVGMYGNTH-MRXNPFEDSA-N -1 3 383.412 0.661 20 0 GCADHM O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@H](O)C1CCOCC1 ZINC000826443956 608812598 /nfs/dbraw/zinc/81/25/98/608812598.db2.gz LDKQRAVGMYGNTH-MRXNPFEDSA-N -1 3 383.412 0.661 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NCCc1ccon1 ZINC000826419726 608821164 /nfs/dbraw/zinc/82/11/64/608821164.db2.gz KCBAXYGIPXVXHR-UHFFFAOYSA-N -1 3 376.398 0.128 20 0 GCADHM NC(=O)[C@H]1COCCN1C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826390008 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392.416 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCO[C@@H]2C)c(-c2nn[n-]n2)cn1CCOC ZINC000825560704 609171387 /nfs/dbraw/zinc/17/13/87/609171387.db2.gz VVMAADFEHQYCKC-GHMZBOCLSA-N -1 3 392.416 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)Cc2ccon2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559841 609171662 /nfs/dbraw/zinc/17/16/62/609171662.db2.gz KBXHDBUBAJJHRT-UHFFFAOYSA-N -1 3 389.372 0.661 20 0 GCADHM CCOC(=O)c1c(NC(=O)Cc2ccon2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559841 609171664 /nfs/dbraw/zinc/17/16/64/609171664.db2.gz KBXHDBUBAJJHRT-UHFFFAOYSA-N -1 3 389.372 0.661 20 0 GCADHM COC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000826143836 609172000 /nfs/dbraw/zinc/17/20/00/609172000.db2.gz RMTRYEQHSAECNY-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM COC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000826143836 609172001 /nfs/dbraw/zinc/17/20/01/609172001.db2.gz RMTRYEQHSAECNY-LLVKDONJSA-N -1 3 394.457 0.219 20 0 GCADHM CCCCCN(CC(N)=O)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825270776 609173168 /nfs/dbraw/zinc/17/31/68/609173168.db2.gz CTNOARXXHYTMGT-UHFFFAOYSA-N -1 3 397.443 0.752 20 0 GCADHM CCCCCN(CC(N)=O)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825270776 609173169 /nfs/dbraw/zinc/17/31/69/609173169.db2.gz CTNOARXXHYTMGT-UHFFFAOYSA-N -1 3 397.443 0.752 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)NC(=O)N[C@H](C)COC ZINC000825480827 609177959 /nfs/dbraw/zinc/17/79/59/609177959.db2.gz MTKLFLCIZIKQAP-SNVBAGLBSA-N -1 3 376.421 0.571 20 0 GCADHM O=C(COc1cccnc1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826419866 609178931 /nfs/dbraw/zinc/17/89/31/609178931.db2.gz OZBMGJQIDCMCAI-INIZCTEOSA-N -1 3 393.407 0.952 20 0 GCADHM O=C(COc1cccnc1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826419866 609178933 /nfs/dbraw/zinc/17/89/33/609178933.db2.gz OZBMGJQIDCMCAI-INIZCTEOSA-N -1 3 393.407 0.952 20 0 GCADHM O=C(CCCn1cncn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826406899 609179256 /nfs/dbraw/zinc/17/92/56/609179256.db2.gz RYFXZGDQISWSQH-OAHLLOKOSA-N -1 3 395.427 0.550 20 0 GCADHM O=C(CCCn1cncn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826406899 609179258 /nfs/dbraw/zinc/17/92/58/609179258.db2.gz RYFXZGDQISWSQH-OAHLLOKOSA-N -1 3 395.427 0.550 20 0 GCADHM O=C(CCN1CCOCC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826407596 609179290 /nfs/dbraw/zinc/17/92/90/609179290.db2.gz UCBZNYZWTKMTAD-MRXNPFEDSA-N -1 3 399.455 0.201 20 0 GCADHM O=C(CCCn1cncn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826406898 609179306 /nfs/dbraw/zinc/17/93/06/609179306.db2.gz RYFXZGDQISWSQH-HNNXBMFYSA-N -1 3 395.427 0.550 20 0 GCADHM O=C(CCCn1cncn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826406898 609179307 /nfs/dbraw/zinc/17/93/07/609179307.db2.gz RYFXZGDQISWSQH-HNNXBMFYSA-N -1 3 395.427 0.550 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1cncc([O-])c1 ZINC000826430364 609179768 /nfs/dbraw/zinc/17/97/68/609179768.db2.gz AKPWTCUKJUHPMH-OAHLLOKOSA-N -1 3 379.380 0.893 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cc[nH]c(=O)c1 ZINC000826431173 609179789 /nfs/dbraw/zinc/17/97/89/609179789.db2.gz TXMURWKGVQVIFH-CQSZACIVSA-N -1 3 379.380 0.893 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cc[nH]c(=O)c1 ZINC000826431173 609179790 /nfs/dbraw/zinc/17/97/90/609179790.db2.gz TXMURWKGVQVIFH-CQSZACIVSA-N -1 3 379.380 0.893 20 0 GCADHM COCCN(C(=O)c1cnc2c(c1)nnn2C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157817 609179885 /nfs/dbraw/zinc/17/98/85/609179885.db2.gz NBVYIMRMUDPZRC-UHFFFAOYSA-N -1 3 379.384 0.837 20 0 GCADHM COCCN(C(=O)c1cnc2c(c1)nnn2C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157817 609179887 /nfs/dbraw/zinc/17/98/87/609179887.db2.gz NBVYIMRMUDPZRC-UHFFFAOYSA-N -1 3 379.384 0.837 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826280190 609182548 /nfs/dbraw/zinc/18/25/48/609182548.db2.gz QMPSZSRIZWSACM-CYBMUJFWSA-N -1 3 395.441 0.376 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826280190 609182549 /nfs/dbraw/zinc/18/25/49/609182549.db2.gz QMPSZSRIZWSACM-CYBMUJFWSA-N -1 3 395.441 0.376 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1ccccc1-c1nnn[n-]1 ZINC000826491003 609182771 /nfs/dbraw/zinc/18/27/71/609182771.db2.gz PZLCXMWAPRAMJZ-LLVKDONJSA-N -1 3 381.414 0.067 20 0 GCADHM O=S(=O)(NC[C@@H]1COC2(CCOCC2)O1)c1ccccc1-c1nn[n-]n1 ZINC000826491003 609182772 /nfs/dbraw/zinc/18/27/72/609182772.db2.gz PZLCXMWAPRAMJZ-LLVKDONJSA-N -1 3 381.414 0.067 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccccc2O)CC1 ZINC000826397517 609183807 /nfs/dbraw/zinc/18/38/07/609183807.db2.gz FTAJDTIQNZHRHV-KRWDZBQOSA-N -1 3 380.408 0.955 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccccc2O)CC1 ZINC000826397517 609183808 /nfs/dbraw/zinc/18/38/08/609183808.db2.gz FTAJDTIQNZHRHV-KRWDZBQOSA-N -1 3 380.408 0.955 20 0 GCADHM CCn1c(=O)cc(Cl)n(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000825782353 609186182 /nfs/dbraw/zinc/18/61/82/609186182.db2.gz DVPYOKQGMDMALV-LLVKDONJSA-N -1 3 392.803 0.303 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000826398565 609186675 /nfs/dbraw/zinc/18/66/75/609186675.db2.gz ZJYIZBOXZHUHJH-KRWDZBQOSA-N -1 3 379.424 0.640 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2ccncc2)CC1 ZINC000826398565 609186676 /nfs/dbraw/zinc/18/66/76/609186676.db2.gz ZJYIZBOXZHUHJH-KRWDZBQOSA-N -1 3 379.424 0.640 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824108499 609189076 /nfs/dbraw/zinc/18/90/76/609189076.db2.gz GZRLKIMJNJLEAL-AWEZNQCLSA-N -1 3 388.428 0.979 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824108499 609189077 /nfs/dbraw/zinc/18/90/77/609189077.db2.gz GZRLKIMJNJLEAL-AWEZNQCLSA-N -1 3 388.428 0.979 20 0 GCADHM CN(Cc1nnc2n1CCCCC2)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825999229 609190094 /nfs/dbraw/zinc/19/00/94/609190094.db2.gz SGRLTMJTVTXYNX-INIZCTEOSA-N -1 3 382.428 0.877 20 0 GCADHM CN(Cc1nnc2n1CCCCC2)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825999229 609190096 /nfs/dbraw/zinc/19/00/96/609190096.db2.gz SGRLTMJTVTXYNX-INIZCTEOSA-N -1 3 382.428 0.877 20 0 GCADHM NC(=O)CCN(Cc1ccccc1)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826391589 609192629 /nfs/dbraw/zinc/19/26/29/609192629.db2.gz SBAKWXGZVUEUBV-QGZVFWFLSA-N -1 3 380.408 0.804 20 0 GCADHM NC(=O)CCN(Cc1ccccc1)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826391589 609192630 /nfs/dbraw/zinc/19/26/30/609192630.db2.gz SBAKWXGZVUEUBV-QGZVFWFLSA-N -1 3 380.408 0.804 20 0 GCADHM CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000824304606 609192981 /nfs/dbraw/zinc/19/29/81/609192981.db2.gz CPBSTPWFYLKKOU-UHFFFAOYSA-N -1 3 389.441 0.812 20 0 GCADHM CC(C)NS(=O)(=O)c1cccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000824304606 609192982 /nfs/dbraw/zinc/19/29/82/609192982.db2.gz CPBSTPWFYLKKOU-UHFFFAOYSA-N -1 3 389.441 0.812 20 0 GCADHM O=C(NCc1cccnc1N1CCOCC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443400 609194376 /nfs/dbraw/zinc/19/43/76/609194376.db2.gz NFRALKGWMWLCGP-MRXNPFEDSA-N -1 3 395.423 0.448 20 0 GCADHM O=C(NCc1cccnc1N1CCOCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443400 609194377 /nfs/dbraw/zinc/19/43/77/609194377.db2.gz NFRALKGWMWLCGP-MRXNPFEDSA-N -1 3 395.423 0.448 20 0 GCADHM Cn1cccc1C(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826363249 609201206 /nfs/dbraw/zinc/20/12/06/609201206.db2.gz DMKKSZQVDPWTOO-INIZCTEOSA-N -1 3 395.423 0.223 20 0 GCADHM Cn1cccc1C(=O)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826363249 609201207 /nfs/dbraw/zinc/20/12/07/609201207.db2.gz DMKKSZQVDPWTOO-INIZCTEOSA-N -1 3 395.423 0.223 20 0 GCADHM C[C@@](O)(CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000824670158 609201819 /nfs/dbraw/zinc/20/18/19/609201819.db2.gz LETYPHZAYZLADX-DNVCBOLYSA-N -1 3 399.455 0.822 20 0 GCADHM C[C@@](O)(CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000824670158 609201820 /nfs/dbraw/zinc/20/18/20/609201820.db2.gz LETYPHZAYZLADX-DNVCBOLYSA-N -1 3 399.455 0.822 20 0 GCADHM CCC[C@H](O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825248054 609202508 /nfs/dbraw/zinc/20/25/08/609202508.db2.gz MCPPLVVVBBJVQG-LSDHHAIUSA-N -1 3 387.444 0.822 20 0 GCADHM CCC[C@H](O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825248054 609202510 /nfs/dbraw/zinc/20/25/10/609202510.db2.gz MCPPLVVVBBJVQG-LSDHHAIUSA-N -1 3 387.444 0.822 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826480955 609203149 /nfs/dbraw/zinc/20/31/49/609203149.db2.gz ZTLCJZFNRTVCSH-GFCCVEGCSA-N -1 3 397.395 0.249 20 0 GCADHM O=C(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826480955 609203151 /nfs/dbraw/zinc/20/31/51/609203151.db2.gz ZTLCJZFNRTVCSH-GFCCVEGCSA-N -1 3 397.395 0.249 20 0 GCADHM O=C(N[C@@H](CCO)C1CC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826430704 609203148 /nfs/dbraw/zinc/20/31/48/609203148.db2.gz JJKSPAFNACFVKV-HOTGVXAUSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(N[C@@H](CCO)C1CC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826430704 609203150 /nfs/dbraw/zinc/20/31/50/609203150.db2.gz JJKSPAFNACFVKV-HOTGVXAUSA-N -1 3 399.455 0.822 20 0 GCADHM C[C@]1(O)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000824838374 609203942 /nfs/dbraw/zinc/20/39/42/609203942.db2.gz ORFGFZJVBIQOQE-BEFAXECRSA-N -1 3 399.455 0.919 20 0 GCADHM C[C@]1(O)CCCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000824838374 609203943 /nfs/dbraw/zinc/20/39/43/609203943.db2.gz ORFGFZJVBIQOQE-BEFAXECRSA-N -1 3 399.455 0.919 20 0 GCADHM CCN(CCCO)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825419243 609204129 /nfs/dbraw/zinc/20/41/29/609204129.db2.gz MGJBHLAHRRIRII-HNNXBMFYSA-N -1 3 387.444 0.776 20 0 GCADHM CCN(CCCO)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825419243 609204131 /nfs/dbraw/zinc/20/41/31/609204131.db2.gz MGJBHLAHRRIRII-HNNXBMFYSA-N -1 3 387.444 0.776 20 0 GCADHM CC[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825044002 609206265 /nfs/dbraw/zinc/20/62/65/609206265.db2.gz LQQYXNWAPJEERK-RDTXWAMCSA-N -1 3 387.444 0.822 20 0 GCADHM CC[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825044002 609206267 /nfs/dbraw/zinc/20/62/67/609206267.db2.gz LQQYXNWAPJEERK-RDTXWAMCSA-N -1 3 387.444 0.822 20 0 GCADHM CN(CC(C)(C)O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825897947 609206280 /nfs/dbraw/zinc/20/62/80/609206280.db2.gz SAKOONWCAJJBGX-CQSZACIVSA-N -1 3 387.444 0.774 20 0 GCADHM CN(CC(C)(C)O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825897947 609206282 /nfs/dbraw/zinc/20/62/82/609206282.db2.gz SAKOONWCAJJBGX-CQSZACIVSA-N -1 3 387.444 0.774 20 0 GCADHM O=C(NCC1(O)CCC1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826434014 609206655 /nfs/dbraw/zinc/20/66/55/609206655.db2.gz ZGOXWJZWNHPZGJ-CQSZACIVSA-N -1 3 385.428 0.576 20 0 GCADHM O=C(NCC1(O)CCC1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826434014 609206656 /nfs/dbraw/zinc/20/66/56/609206656.db2.gz ZGOXWJZWNHPZGJ-CQSZACIVSA-N -1 3 385.428 0.576 20 0 GCADHM C[C@]1(c2ccc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)NC(=O)NC1=O ZINC000824843345 609207063 /nfs/dbraw/zinc/20/70/63/609207063.db2.gz CKODIZRLWIWWEQ-QGZVFWFLSA-N -1 3 380.368 0.179 20 0 GCADHM O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443386 609209402 /nfs/dbraw/zinc/20/94/02/609209402.db2.gz MTVXSWVRLVXGHU-HZPDHXFCSA-N -1 3 396.407 0.801 20 0 GCADHM O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443386 609209405 /nfs/dbraw/zinc/20/94/05/609209405.db2.gz MTVXSWVRLVXGHU-HZPDHXFCSA-N -1 3 396.407 0.801 20 0 GCADHM O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435521 609209750 /nfs/dbraw/zinc/20/97/50/609209750.db2.gz QGJWYNWHTKMYLB-GWCFXTLKSA-N -1 3 384.362 0.901 20 0 GCADHM O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435521 609209752 /nfs/dbraw/zinc/20/97/52/609209752.db2.gz QGJWYNWHTKMYLB-GWCFXTLKSA-N -1 3 384.362 0.901 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cscn2)CC1 ZINC000826397544 609211338 /nfs/dbraw/zinc/21/13/38/609211338.db2.gz GFEVKHOXSCEVDY-OAHLLOKOSA-N -1 3 385.453 0.701 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cscn2)CC1 ZINC000826397544 609211341 /nfs/dbraw/zinc/21/13/41/609211341.db2.gz GFEVKHOXSCEVDY-OAHLLOKOSA-N -1 3 385.453 0.701 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443890 609214382 /nfs/dbraw/zinc/21/43/82/609214382.db2.gz ILEQVWLVXQFVMI-OAHLLOKOSA-N -1 3 377.368 0.192 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443890 609214385 /nfs/dbraw/zinc/21/43/85/609214385.db2.gz ILEQVWLVXQFVMI-OAHLLOKOSA-N -1 3 377.368 0.192 20 0 GCADHM NS(=O)(=O)Cc1cccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826394556 609215648 /nfs/dbraw/zinc/21/56/48/609215648.db2.gz OOMWMBVBPVJWRD-CQSZACIVSA-N -1 3 388.409 0.327 20 0 GCADHM NS(=O)(=O)Cc1cccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826394556 609215650 /nfs/dbraw/zinc/21/56/50/609215650.db2.gz OOMWMBVBPVJWRD-CQSZACIVSA-N -1 3 388.409 0.327 20 0 GCADHM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824285072 609215863 /nfs/dbraw/zinc/21/58/63/609215863.db2.gz WFSKYCUOWNBCIM-KBPBESRZSA-N -1 3 390.469 0.668 20 0 GCADHM CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824285072 609215864 /nfs/dbraw/zinc/21/58/64/609215864.db2.gz WFSKYCUOWNBCIM-KBPBESRZSA-N -1 3 390.469 0.668 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826311467 609219547 /nfs/dbraw/zinc/21/95/47/609219547.db2.gz FQUKHUWIIGPPBZ-MRXNPFEDSA-N -1 3 381.396 0.701 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826311467 609219549 /nfs/dbraw/zinc/21/95/49/609219549.db2.gz FQUKHUWIIGPPBZ-MRXNPFEDSA-N -1 3 381.396 0.701 20 0 GCADHM Cc1nc(CN2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)oc1C ZINC000826325570 609222757 /nfs/dbraw/zinc/22/27/57/609222757.db2.gz CNQJGTBYYZZQPX-QGZVFWFLSA-N -1 3 397.439 0.849 20 0 GCADHM Cc1nc(CN2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)oc1C ZINC000826325570 609222759 /nfs/dbraw/zinc/22/27/59/609222759.db2.gz CNQJGTBYYZZQPX-QGZVFWFLSA-N -1 3 397.439 0.849 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000826469719 609223449 /nfs/dbraw/zinc/22/34/49/609223449.db2.gz PAOSWTXIJNVEMZ-UHFFFAOYSA-N -1 3 381.400 0.020 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCc2ncnc(N3CCOCC3)c2C1 ZINC000826469719 609223451 /nfs/dbraw/zinc/22/34/51/609223451.db2.gz PAOSWTXIJNVEMZ-UHFFFAOYSA-N -1 3 381.400 0.020 20 0 GCADHM COC(=O)[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000826102977 609224083 /nfs/dbraw/zinc/22/40/83/609224083.db2.gz BJNUGBQCAIQKRO-HOTGVXAUSA-N -1 3 397.391 0.939 20 0 GCADHM COC(=O)[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000826102977 609224085 /nfs/dbraw/zinc/22/40/85/609224085.db2.gz BJNUGBQCAIQKRO-HOTGVXAUSA-N -1 3 397.391 0.939 20 0 GCADHM CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000826038730 609224139 /nfs/dbraw/zinc/22/41/39/609224139.db2.gz WNINPJQJVTVWFR-GFCCVEGCSA-N -1 3 390.448 0.476 20 0 GCADHM CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000826038730 609224140 /nfs/dbraw/zinc/22/41/40/609224140.db2.gz WNINPJQJVTVWFR-GFCCVEGCSA-N -1 3 390.448 0.476 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000826397000 609224369 /nfs/dbraw/zinc/22/43/69/609224369.db2.gz QXFYYERLAACSAW-ZIAGYGMSSA-N -1 3 377.426 0.078 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000826397000 609224371 /nfs/dbraw/zinc/22/43/71/609224371.db2.gz QXFYYERLAACSAW-ZIAGYGMSSA-N -1 3 377.426 0.078 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC000824505384 609224904 /nfs/dbraw/zinc/22/49/04/609224904.db2.gz CFDWEGYCTGHACQ-GXFFZTMASA-N -1 3 391.432 0.949 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC000824505384 609224906 /nfs/dbraw/zinc/22/49/06/609224906.db2.gz CFDWEGYCTGHACQ-GXFFZTMASA-N -1 3 391.432 0.949 20 0 GCADHM CCn1cnnc1[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825805147 609225115 /nfs/dbraw/zinc/22/51/15/609225115.db2.gz UVCYFPHGHJYBMA-LSDHHAIUSA-N -1 3 382.428 0.918 20 0 GCADHM CCn1cnnc1[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825805147 609225117 /nfs/dbraw/zinc/22/51/17/609225117.db2.gz UVCYFPHGHJYBMA-LSDHHAIUSA-N -1 3 382.428 0.918 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC000824505388 609225264 /nfs/dbraw/zinc/22/52/64/609225264.db2.gz CFDWEGYCTGHACQ-ZWNOBZJWSA-N -1 3 391.432 0.949 20 0 GCADHM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC000824505388 609225265 /nfs/dbraw/zinc/22/52/65/609225265.db2.gz CFDWEGYCTGHACQ-ZWNOBZJWSA-N -1 3 391.432 0.949 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826363877 609225675 /nfs/dbraw/zinc/22/56/75/609225675.db2.gz DVYJSZKGZYYXAY-KRWDZBQOSA-N -1 3 396.455 0.368 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826363877 609225677 /nfs/dbraw/zinc/22/56/77/609225677.db2.gz DVYJSZKGZYYXAY-KRWDZBQOSA-N -1 3 396.455 0.368 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825210635 609226306 /nfs/dbraw/zinc/22/63/06/609226306.db2.gz ISDOINSAUMCRCQ-DGCLKSJQSA-N -1 3 395.489 0.763 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825210635 609226308 /nfs/dbraw/zinc/22/63/08/609226308.db2.gz ISDOINSAUMCRCQ-DGCLKSJQSA-N -1 3 395.489 0.763 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000826320039 609228460 /nfs/dbraw/zinc/22/84/60/609228460.db2.gz DWKBXXMUQWCUJR-CVEARBPZSA-N -1 3 383.412 0.333 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826320039 609228461 /nfs/dbraw/zinc/22/84/61/609228461.db2.gz DWKBXXMUQWCUJR-CVEARBPZSA-N -1 3 383.412 0.333 20 0 GCADHM CCOC(=O)c1csc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825570928 609229530 /nfs/dbraw/zinc/22/95/30/609229530.db2.gz OLBNQSSHRCZWLB-ZDUSSCGKSA-N -1 3 388.409 0.850 20 0 GCADHM CCOC(=O)c1csc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825570928 609229533 /nfs/dbraw/zinc/22/95/33/609229533.db2.gz OLBNQSSHRCZWLB-ZDUSSCGKSA-N -1 3 388.409 0.850 20 0 GCADHM CCN1CCN(C2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)C1=O ZINC000825460417 609229654 /nfs/dbraw/zinc/22/96/54/609229654.db2.gz WPCVAZMTESOPET-MRXNPFEDSA-N -1 3 399.455 0.649 20 0 GCADHM CCN1CCN(C2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000825460417 609229655 /nfs/dbraw/zinc/22/96/55/609229655.db2.gz WPCVAZMTESOPET-MRXNPFEDSA-N -1 3 399.455 0.649 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)Nc1ccccc1F ZINC000826410964 609229762 /nfs/dbraw/zinc/22/97/62/609229762.db2.gz FYKHTAIUEQYPQL-UHFFFAOYSA-N -1 3 398.402 0.730 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)Nc1ccccc1F ZINC000826410964 609229764 /nfs/dbraw/zinc/22/97/64/609229764.db2.gz FYKHTAIUEQYPQL-UHFFFAOYSA-N -1 3 398.402 0.730 20 0 GCADHM COCCN1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CC1 ZINC000826159773 609230225 /nfs/dbraw/zinc/23/02/25/609230225.db2.gz RAACAZYZNWWPPE-UHFFFAOYSA-N -1 3 396.455 0.765 20 0 GCADHM COCCN1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CC1 ZINC000826159773 609230226 /nfs/dbraw/zinc/23/02/26/609230226.db2.gz RAACAZYZNWWPPE-UHFFFAOYSA-N -1 3 396.455 0.765 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000826398446 609230314 /nfs/dbraw/zinc/23/03/14/609230314.db2.gz WWUHCCGCMRDQJI-RDJZCZTQSA-N -1 3 384.440 0.904 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000826398446 609230316 /nfs/dbraw/zinc/23/03/16/609230316.db2.gz WWUHCCGCMRDQJI-RDJZCZTQSA-N -1 3 384.440 0.904 20 0 GCADHM CN(CC(=O)NCc1cccs1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825892126 609230384 /nfs/dbraw/zinc/23/03/84/609230384.db2.gz GRMJAILOSIOEBB-HNNXBMFYSA-N -1 3 386.437 0.736 20 0 GCADHM CN(CC(=O)NCc1cccs1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825892126 609230385 /nfs/dbraw/zinc/23/03/85/609230385.db2.gz GRMJAILOSIOEBB-HNNXBMFYSA-N -1 3 386.437 0.736 20 0 GCADHM CS(=O)(=O)Nc1ccc(OCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826224058 609231152 /nfs/dbraw/zinc/23/11/52/609231152.db2.gz MNJGHIQMNODMFD-UHFFFAOYSA-N -1 3 391.413 0.375 20 0 GCADHM CS(=O)(=O)Nc1ccc(OCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826224058 609231153 /nfs/dbraw/zinc/23/11/53/609231153.db2.gz MNJGHIQMNODMFD-UHFFFAOYSA-N -1 3 391.413 0.375 20 0 GCADHM O=C(NC[C@H]1CCCN1c1cccnn1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435066 609233248 /nfs/dbraw/zinc/23/32/48/609233248.db2.gz FVZAGLSYOHPEME-GDBMZVCRSA-N -1 3 380.412 0.475 20 0 GCADHM O=C(NC[C@H]1CCCN1c1cccnn1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435066 609233249 /nfs/dbraw/zinc/23/32/49/609233249.db2.gz FVZAGLSYOHPEME-GDBMZVCRSA-N -1 3 380.412 0.475 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826073360 609235635 /nfs/dbraw/zinc/23/56/35/609235635.db2.gz PIMYCPXRCJGBPY-MRXNPFEDSA-N -1 3 380.408 0.619 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826073360 609235637 /nfs/dbraw/zinc/23/56/37/609235637.db2.gz PIMYCPXRCJGBPY-MRXNPFEDSA-N -1 3 380.408 0.619 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826418288 609236295 /nfs/dbraw/zinc/23/62/95/609236295.db2.gz ZAQBVPJHGLJPEI-CQSZACIVSA-N -1 3 375.385 0.284 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826418288 609236296 /nfs/dbraw/zinc/23/62/96/609236296.db2.gz ZAQBVPJHGLJPEI-CQSZACIVSA-N -1 3 375.385 0.284 20 0 GCADHM CN(C)C(=O)c1cccc(CCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825846378 609236672 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609294486 /nfs/dbraw/zinc/29/44/86/609294486.db2.gz AHOICZQUDSOXRU-ZDUSSCGKSA-N -1 3 387.352 0.302 20 0 GCADHM COC(=O)[C@@H](CO)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826103129 609294722 /nfs/dbraw/zinc/29/47/22/609294722.db2.gz CWBQGYUJFPUVGI-OAHLLOKOSA-N -1 3 383.364 0.923 20 0 GCADHM COC(=O)[C@@H](CO)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826103129 609294724 /nfs/dbraw/zinc/29/47/24/609294724.db2.gz CWBQGYUJFPUVGI-OAHLLOKOSA-N -1 3 383.364 0.923 20 0 GCADHM COC(=O)[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC)c1cccnc1 ZINC000826104597 609295380 /nfs/dbraw/zinc/29/53/80/609295380.db2.gz ZXANCLRWHYCJAT-MRXNPFEDSA-N -1 3 398.379 0.680 20 0 GCADHM COC(=O)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC)c1cccnc1 ZINC000826104597 609295382 /nfs/dbraw/zinc/29/53/82/609295382.db2.gz ZXANCLRWHYCJAT-MRXNPFEDSA-N -1 3 398.379 0.680 20 0 GCADHM CCNC(=O)CN1CCCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000825470663 609296701 /nfs/dbraw/zinc/29/67/01/609296701.db2.gz GVBADCBCXXLQRB-UHFFFAOYSA-N -1 3 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COC[C@@H](NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826150754 609332332 /nfs/dbraw/zinc/33/23/32/609332332.db2.gz KZFWURSXMBTBRX-CYBMUJFWSA-N -1 3 382.380 0.889 20 0 GCADHM COC[C@@H](NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826150754 609332334 /nfs/dbraw/zinc/33/23/34/609332334.db2.gz KZFWURSXMBTBRX-CYBMUJFWSA-N -1 3 382.380 0.889 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000826128663 609346414 /nfs/dbraw/zinc/34/64/14/609346414.db2.gz GDLFOGVWVRMAAG-DYEKYZERSA-N -1 3 389.412 0.813 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000826128663 609346416 /nfs/dbraw/zinc/34/64/16/609346416.db2.gz GDLFOGVWVRMAAG-DYEKYZERSA-N -1 3 389.412 0.813 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826128272 609346616 /nfs/dbraw/zinc/34/66/16/609346616.db2.gz AZYKZZBWADUVEU-JSGCOSHPSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826128272 609346618 /nfs/dbraw/zinc/34/66/18/609346618.db2.gz AZYKZZBWADUVEU-JSGCOSHPSA-N -1 3 375.385 0.425 20 0 GCADHM O=C(NCCN1CCNC(=O)C1)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826481516 609354297 /nfs/dbraw/zinc/35/42/97/609354297.db2.gz YCGNSKHBSVKBPR-UHFFFAOYSA-N -1 3 396.358 0.021 20 0 GCADHM O=C(NCCN1CCNC(=O)C1)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826481516 609354299 /nfs/dbraw/zinc/35/42/99/609354299.db2.gz YCGNSKHBSVKBPR-UHFFFAOYSA-N -1 3 396.358 0.021 20 0 GCADHM CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000825907830 609356137 /nfs/dbraw/zinc/35/61/37/609356137.db2.gz BNCREWFFOSXWQX-BXUZGUMPSA-N -1 3 376.392 0.954 20 0 GCADHM CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000825907830 609356139 /nfs/dbraw/zinc/35/61/39/609356139.db2.gz BNCREWFFOSXWQX-BXUZGUMPSA-N -1 3 376.392 0.954 20 0 GCADHM CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825908690 609356720 /nfs/dbraw/zinc/35/67/20/609356720.db2.gz KYQWWEZAXDJHJD-IINYFYTJSA-N -1 3 376.392 0.954 20 0 GCADHM CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825908690 609356723 /nfs/dbraw/zinc/35/67/23/609356723.db2.gz KYQWWEZAXDJHJD-IINYFYTJSA-N -1 3 376.392 0.954 20 0 GCADHM CCCNC(=O)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825326908 609361331 /nfs/dbraw/zinc/36/13/31/609361331.db2.gz IJRILBNYLPMHGB-UHFFFAOYSA-N -1 3 387.379 0.839 20 0 GCADHM O=C(NC[C@H]1COCCO1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826435080 609361489 /nfs/dbraw/zinc/36/14/89/609361489.db2.gz GDPVYDDNTNEQTD-JTQLQIEISA-N -1 3 388.363 0.728 20 0 GCADHM COCCOCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826160807 609361777 /nfs/dbraw/zinc/36/17/77/609361777.db2.gz HSJDCZWYXFSECA-UHFFFAOYSA-N -1 3 390.379 0.976 20 0 GCADHM O=C1NC[C@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3Br)CCN12 ZINC000826482345 609365049 /nfs/dbraw/zinc/36/50/49/609365049.db2.gz BJPWRQZKWBZUGT-NSHDSACASA-N -1 3 378.234 0.839 20 0 GCADHM O=C1NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3Br)CCN12 ZINC000826482345 609365053 /nfs/dbraw/zinc/36/50/53/609365053.db2.gz BJPWRQZKWBZUGT-NSHDSACASA-N -1 3 378.234 0.839 20 0 GCADHM C[C@H](O)C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2Br)CC1 ZINC000824678117 609366316 /nfs/dbraw/zinc/36/63/16/609366316.db2.gz KZWSHMAZIRKENR-JTQLQIEISA-N -1 3 395.261 0.654 20 0 GCADHM C[C@H](O)C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000824678117 609366318 /nfs/dbraw/zinc/36/63/18/609366318.db2.gz KZWSHMAZIRKENR-JTQLQIEISA-N -1 3 395.261 0.654 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826129510 609368593 /nfs/dbraw/zinc/36/85/93/609368593.db2.gz UEBQNTZPZATTOD-GJZGRUSLSA-N -1 3 388.428 0.848 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826129510 609368596 /nfs/dbraw/zinc/36/85/96/609368596.db2.gz UEBQNTZPZATTOD-GJZGRUSLSA-N -1 3 388.428 0.848 20 0 GCADHM CNC(=O)[C@H]1CN(C(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000826061003 609368742 /nfs/dbraw/zinc/36/87/42/609368742.db2.gz YBSZVWUXWVSSDE-LLVKDONJSA-N -1 3 381.849 0.664 20 0 GCADHM CNC(=O)[C@H]1CN(C(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000826061003 609368745 /nfs/dbraw/zinc/36/87/45/609368745.db2.gz YBSZVWUXWVSSDE-LLVKDONJSA-N -1 3 381.849 0.664 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826129511 609368871 /nfs/dbraw/zinc/36/88/71/609368871.db2.gz UEBQNTZPZATTOD-HUUCEWRRSA-N -1 3 388.428 0.848 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826129511 609368874 /nfs/dbraw/zinc/36/88/74/609368874.db2.gz UEBQNTZPZATTOD-HUUCEWRRSA-N -1 3 388.428 0.848 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826129378 609369091 /nfs/dbraw/zinc/36/90/91/609369091.db2.gz PXMDMRCHAXJXEL-LSDHHAIUSA-N -1 3 388.428 0.135 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826129378 609369092 /nfs/dbraw/zinc/36/90/92/609369092.db2.gz PXMDMRCHAXJXEL-LSDHHAIUSA-N -1 3 388.428 0.135 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826129233 609371865 /nfs/dbraw/zinc/37/18/65/609371865.db2.gz MPKYEGPKFFEMGV-GXSJLCMTSA-N -1 3 380.430 0.519 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826129233 609371866 /nfs/dbraw/zinc/37/18/66/609371866.db2.gz MPKYEGPKFFEMGV-GXSJLCMTSA-N -1 3 380.430 0.519 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826393334 609377080 /nfs/dbraw/zinc/37/70/80/609377080.db2.gz NPAVHOMCAVFKKK-UHFFFAOYSA-N -1 3 392.423 0.319 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)Nc1ncn(Cc2ccccc2)n1 ZINC000826414247 609377426 /nfs/dbraw/zinc/37/74/26/609377426.db2.gz MFLTZULNEJZUIE-UHFFFAOYSA-N -1 3 376.384 0.952 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)Nc1ncn(Cc2ccccc2)n1 ZINC000826414247 609377429 /nfs/dbraw/zinc/37/74/29/609377429.db2.gz MFLTZULNEJZUIE-UHFFFAOYSA-N -1 3 376.384 0.952 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826233322 609384108 /nfs/dbraw/zinc/38/41/08/609384108.db2.gz CHIOWYRJIJDHIG-UHFFFAOYSA-N -1 3 388.457 0.829 20 0 GCADHM CNC(=O)[C@@H]1CN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CCO1 ZINC000826059913 609387178 /nfs/dbraw/zinc/38/71/78/609387178.db2.gz CDJIZNXCORUKIW-NSHDSACASA-N -1 3 375.339 0.644 20 0 GCADHM CNC(=O)[C@@H]1CN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CCO1 ZINC000826059913 609387180 /nfs/dbraw/zinc/38/71/80/609387180.db2.gz CDJIZNXCORUKIW-NSHDSACASA-N -1 3 375.339 0.644 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826358694 609393071 /nfs/dbraw/zinc/39/30/71/609393071.db2.gz DUQGAKZVZBYODI-MRXNPFEDSA-N -1 3 385.428 0.999 20 0 GCADHM Cn1cc([C@@H](CO)NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826358694 609393073 /nfs/dbraw/zinc/39/30/73/609393073.db2.gz DUQGAKZVZBYODI-MRXNPFEDSA-N -1 3 385.428 0.999 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826359131 609393322 /nfs/dbraw/zinc/39/33/22/609393322.db2.gz WWJYPHLYQFKYPB-HOTGVXAUSA-N -1 3 382.428 0.419 20 0 GCADHM O=C(CO)N1CCN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826414753 609393472 /nfs/dbraw/zinc/39/34/72/609393472.db2.gz HMGNDSPIYJOTIU-UHFFFAOYSA-N -1 3 385.211 0.450 20 0 GCADHM O=C(CO)N1CCN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826414753 609393475 /nfs/dbraw/zinc/39/34/75/609393475.db2.gz HMGNDSPIYJOTIU-UHFFFAOYSA-N -1 3 385.211 0.450 20 0 GCADHM C[C@@H](OC(=O)c1cccc(C(N)=O)n1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824723546 609394230 /nfs/dbraw/zinc/39/42/30/609394230.db2.gz RXWRTAFQDUXRJX-SECBINFHSA-N -1 3 381.352 0.545 20 0 GCADHM C[C@@H](OC(=O)c1cccc(C(N)=O)n1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824723546 609394233 /nfs/dbraw/zinc/39/42/33/609394233.db2.gz RXWRTAFQDUXRJX-SECBINFHSA-N -1 3 381.352 0.545 20 0 GCADHM COC[C@@](C)(CCO)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826148672 609396910 /nfs/dbraw/zinc/39/69/10/609396910.db2.gz ODKJPBASCODIIU-QGZVFWFLSA-N -1 3 386.416 0.152 20 0 GCADHM COC[C@@](C)(CCO)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826148672 609396913 /nfs/dbraw/zinc/39/69/13/609396913.db2.gz ODKJPBASCODIIU-QGZVFWFLSA-N -1 3 386.416 0.152 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000824640403 609400521 /nfs/dbraw/zinc/40/05/21/609400521.db2.gz HRBDDYIDEDZPRD-MJVIPROJSA-N -1 3 396.448 0.740 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000824640403 609400523 /nfs/dbraw/zinc/40/05/23/609400523.db2.gz HRBDDYIDEDZPRD-MJVIPROJSA-N -1 3 396.448 0.740 20 0 GCADHM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824773145 609404174 /nfs/dbraw/zinc/40/41/74/609404174.db2.gz YQEKVZHTUGYBGO-SUMWQHHRSA-N -1 3 394.435 0.877 20 0 GCADHM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824773145 609404177 /nfs/dbraw/zinc/40/41/77/609404177.db2.gz YQEKVZHTUGYBGO-SUMWQHHRSA-N -1 3 394.435 0.877 20 0 GCADHM COC[C@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C(=O)OC ZINC000826150485 609404415 /nfs/dbraw/zinc/40/44/15/609404415.db2.gz FPFSXLXPKFRMNV-ZDUSSCGKSA-N -1 3 390.400 0.280 20 0 GCADHM COC[C@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C(=O)OC ZINC000826150485 609404416 /nfs/dbraw/zinc/40/44/16/609404416.db2.gz FPFSXLXPKFRMNV-ZDUSSCGKSA-N -1 3 390.400 0.280 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCO1 ZINC000826060837 609406211 /nfs/dbraw/zinc/40/62/11/609406211.db2.gz UKOPBJNHGCPJAV-CQSZACIVSA-N -1 3 389.416 0.633 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCO1 ZINC000826060837 609406212 /nfs/dbraw/zinc/40/62/12/609406212.db2.gz UKOPBJNHGCPJAV-CQSZACIVSA-N -1 3 389.416 0.633 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl)S(N)(=O)=O ZINC000824419817 609417753 /nfs/dbraw/zinc/41/77/53/609417753.db2.gz CBRPTRYGILDMST-RXMQYKEDSA-N -1 3 379.229 0.580 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl)S(N)(=O)=O ZINC000824419817 609417755 /nfs/dbraw/zinc/41/77/55/609417755.db2.gz CBRPTRYGILDMST-RXMQYKEDSA-N -1 3 379.229 0.580 20 0 GCADHM O=C(C[S@@](=O)Cc1ccc(CO)cc1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826419651 609421933 /nfs/dbraw/zinc/42/19/33/609421933.db2.gz GOJRRSDKRJLPAQ-MHZLTWQESA-N -1 3 385.449 0.924 20 0 GCADHM COCCCNC(=O)CN(C)[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826156912 609428321 /nfs/dbraw/zinc/42/83/21/609428321.db2.gz ZKMYPPHMXXZYSM-LBPRGKRZSA-N -1 3 375.433 0.278 20 0 GCADHM COCCCNC(=O)CN(C)[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826156912 609428324 /nfs/dbraw/zinc/42/83/24/609428324.db2.gz ZKMYPPHMXXZYSM-LBPRGKRZSA-N -1 3 375.433 0.278 20 0 GCADHM CCN(Cc1cn(C)nn1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825439815 609430289 /nfs/dbraw/zinc/43/02/89/609430289.db2.gz PGDCZKOKRPGIQN-UHFFFAOYSA-N -1 3 393.415 0.425 20 0 GCADHM CCN(Cc1cn(C)nn1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825439815 609430291 /nfs/dbraw/zinc/43/02/91/609430291.db2.gz PGDCZKOKRPGIQN-UHFFFAOYSA-N -1 3 393.415 0.425 20 0 GCADHM O=C(Cn1cc(CCO)c(C(F)(F)F)n1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826424394 609436176 /nfs/dbraw/zinc/43/61/76/609436176.db2.gz KSFLRMTWFSYHJQ-UHFFFAOYSA-N -1 3 395.345 0.933 20 0 GCADHM O=C(Cn1cc(CCO)c(C(F)(F)F)n1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826424394 609436177 /nfs/dbraw/zinc/43/61/77/609436177.db2.gz KSFLRMTWFSYHJQ-UHFFFAOYSA-N -1 3 395.345 0.933 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000826279467 609437678 /nfs/dbraw/zinc/43/76/78/609437678.db2.gz QWJMJHVMNOUDOF-KGLIPLIRSA-N -1 3 391.453 0.934 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000826279467 609437681 /nfs/dbraw/zinc/43/76/81/609437681.db2.gz QWJMJHVMNOUDOF-KGLIPLIRSA-N -1 3 391.453 0.934 20 0 GCADHM O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826480075 609438309 /nfs/dbraw/zinc/43/83/09/609438309.db2.gz QLIFUZQKZOTPLD-ZIAGYGMSSA-N -1 3 377.426 0.625 20 0 GCADHM O=C1CCC[C@@H]1[C@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826480075 609438311 /nfs/dbraw/zinc/43/83/11/609438311.db2.gz QLIFUZQKZOTPLD-ZIAGYGMSSA-N -1 3 377.426 0.625 20 0 GCADHM O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826479654 609438443 /nfs/dbraw/zinc/43/84/43/609438443.db2.gz DYTGMWMVUASVCV-FZMZJTMJSA-N -1 3 395.416 0.765 20 0 GCADHM O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826480315 609438480 /nfs/dbraw/zinc/43/84/80/609438480.db2.gz XIEYSELVDDPZIC-LSDHHAIUSA-N -1 3 391.453 0.767 20 0 GCADHM O=C1CCC[C@H]1[C@H]1COCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826480315 609438481 /nfs/dbraw/zinc/43/84/81/609438481.db2.gz XIEYSELVDDPZIC-LSDHHAIUSA-N -1 3 391.453 0.767 20 0 GCADHM CCOC(=O)[C@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)[C@H]1CCCOC1 ZINC000825493445 609439790 /nfs/dbraw/zinc/43/97/90/609439790.db2.gz LSYKUIFXYUKPIX-GXFFZTMASA-N -1 3 394.457 0.815 20 0 GCADHM CCOC(=O)[C@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)[C@H]1CCCOC1 ZINC000825493445 609439791 /nfs/dbraw/zinc/43/97/91/609439791.db2.gz LSYKUIFXYUKPIX-GXFFZTMASA-N -1 3 394.457 0.815 20 0 GCADHM COc1c(NCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cccc1C(N)=O ZINC000826166827 609448871 /nfs/dbraw/zinc/44/88/71/609448871.db2.gz CSUNEWXGOYCBJI-UHFFFAOYSA-N -1 3 381.396 0.703 20 0 GCADHM COc1c(NCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cccc1C(N)=O ZINC000826166827 609448873 /nfs/dbraw/zinc/44/88/73/609448873.db2.gz CSUNEWXGOYCBJI-UHFFFAOYSA-N -1 3 381.396 0.703 20 0 GCADHM COc1c(NCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cccc1C(N)=O ZINC000826166815 609449326 /nfs/dbraw/zinc/44/93/26/609449326.db2.gz CBNRMZOCXBNLKX-UHFFFAOYSA-N -1 3 381.396 0.703 20 0 GCADHM COc1c(NCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cccc1C(N)=O ZINC000826166815 609449328 /nfs/dbraw/zinc/44/93/28/609449328.db2.gz CBNRMZOCXBNLKX-UHFFFAOYSA-N -1 3 381.396 0.703 20 0 GCADHM O=C(CNC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)NCC1CC1 ZINC000826411888 609463111 /nfs/dbraw/zinc/46/31/11/609463111.db2.gz RGZIPIHTXHMXGZ-UHFFFAOYSA-N -1 3 398.471 0.220 20 0 GCADHM CCN1C[C@@H](C(=O)O[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000825444404 609464930 /nfs/dbraw/zinc/46/49/30/609464930.db2.gz MQZSGMWUPOMDDF-DZGCQCFKSA-N -1 3 398.423 0.774 20 0 GCADHM CCN1C[C@@H](C(=O)O[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000825444404 609464932 /nfs/dbraw/zinc/46/49/32/609464932.db2.gz MQZSGMWUPOMDDF-DZGCQCFKSA-N -1 3 398.423 0.774 20 0 GCADHM C[C@H](O)c1cn(C2CN(C(=O)C(C)(C)Oc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000824706907 609471647 /nfs/dbraw/zinc/47/16/47/609471647.db2.gz LOEHMXGJLQJEGE-NSHDSACASA-N -1 3 398.427 0.752 20 0 GCADHM C[C@H](O)c1cn(C2CN(C(=O)C(C)(C)Oc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000824706907 609471649 /nfs/dbraw/zinc/47/16/49/609471649.db2.gz LOEHMXGJLQJEGE-NSHDSACASA-N -1 3 398.427 0.752 20 0 GCADHM Cc1nc(SCC(=O)N2CC(n3ccnn3)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327291 609472659 /nfs/dbraw/zinc/47/26/59/609472659.db2.gz AZARXXPUSSAESU-UHFFFAOYSA-N -1 3 385.457 0.954 20 0 GCADHM Cc1nc(SCC(=O)N2CC(n3ccnn3)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327291 609472661 /nfs/dbraw/zinc/47/26/61/609472661.db2.gz AZARXXPUSSAESU-UHFFFAOYSA-N -1 3 385.457 0.954 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000826470420 609487742 /nfs/dbraw/zinc/48/77/42/609487742.db2.gz PILRDTNUPJXCNU-UHFFFAOYSA-N -1 3 399.436 0.412 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000826470420 609487744 /nfs/dbraw/zinc/48/77/44/609487744.db2.gz PILRDTNUPJXCNU-UHFFFAOYSA-N -1 3 399.436 0.412 20 0 GCADHM CC(C)Oc1ccc(NC(=O)NC[C@@H](C)S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000824328900 609494034 /nfs/dbraw/zinc/49/40/34/609494034.db2.gz DHGZLNYCAZMDMU-SECBINFHSA-N -1 3 383.434 0.452 20 0 GCADHM CC(C)Oc1ccc(NC(=O)NC[C@@H](C)S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000824328900 609494035 /nfs/dbraw/zinc/49/40/35/609494035.db2.gz DHGZLNYCAZMDMU-SECBINFHSA-N -1 3 383.434 0.452 20 0 GCADHM O=S(=O)([C@@H]1CCCN(Cc2cc(-c3nnn[n-]3)cs2)C1)N1CCOCC1 ZINC000826483966 609495974 /nfs/dbraw/zinc/49/59/74/609495974.db2.gz HPFLHFLUYHNLFL-CQSZACIVSA-N -1 3 398.514 0.555 20 0 GCADHM O=S(=O)([C@@H]1CCCN(Cc2cc(-c3nn[n-]n3)cs2)C1)N1CCOCC1 ZINC000826483966 609495976 /nfs/dbraw/zinc/49/59/76/609495976.db2.gz HPFLHFLUYHNLFL-CQSZACIVSA-N -1 3 398.514 0.555 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000825884186 609499321 /nfs/dbraw/zinc/49/93/21/609499321.db2.gz VCMDOERBIBGPDS-UHFFFAOYSA-N -1 3 380.416 0.080 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000825884186 609499322 /nfs/dbraw/zinc/49/93/22/609499322.db2.gz VCMDOERBIBGPDS-UHFFFAOYSA-N -1 3 380.416 0.080 20 0 GCADHM CN(C)c1cnc(C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)cn1 ZINC000825883455 609501230 /nfs/dbraw/zinc/50/12/30/609501230.db2.gz HELLXMUFCKRNCS-UHFFFAOYSA-N -1 3 391.399 0.615 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)[C@H](C)Oc3ccccc3-c3nnn[n-]3)CCO2)no1 ZINC000826325260 609503633 /nfs/dbraw/zinc/50/36/33/609503633.db2.gz SFVKIGJMZPBHNH-IINYFYTJSA-N -1 3 385.384 0.926 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)CCO2)no1 ZINC000826325260 609503635 /nfs/dbraw/zinc/50/36/35/609503635.db2.gz SFVKIGJMZPBHNH-IINYFYTJSA-N -1 3 385.384 0.926 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)no1 ZINC000826325503 609503708 /nfs/dbraw/zinc/50/37/08/609503708.db2.gz ZVGFFTPBGRNEGI-JTQLQIEISA-N -1 3 376.764 0.820 20 0 GCADHM Cc1nc([C@@H]2COCCN2C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)no1 ZINC000826325503 609503710 /nfs/dbraw/zinc/50/37/10/609503710.db2.gz ZVGFFTPBGRNEGI-JTQLQIEISA-N -1 3 376.764 0.820 20 0 GCADHM COC[C@H](C)NC(=S)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826149466 609510900 /nfs/dbraw/zinc/51/09/00/609510900.db2.gz IBJHSBWQPRYPJY-SMDDNHRTSA-N -1 3 389.485 0.861 20 0 GCADHM COC[C@H](C)NC(=S)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826149466 609510902 /nfs/dbraw/zinc/51/09/02/609510902.db2.gz IBJHSBWQPRYPJY-SMDDNHRTSA-N -1 3 389.485 0.861 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nnn[n-]2)cc1)NCc1nnc2n1CCCCC2 ZINC000826486520 609512906 /nfs/dbraw/zinc/51/29/06/609512906.db2.gz FZYHXMFGEBGMBS-UHFFFAOYSA-N -1 3 388.457 0.804 20 0 GCADHM O=S(=O)(Cc1ccc(-c2nn[n-]n2)cc1)NCc1nnc2n1CCCCC2 ZINC000826486520 609512908 /nfs/dbraw/zinc/51/29/08/609512908.db2.gz FZYHXMFGEBGMBS-UHFFFAOYSA-N -1 3 388.457 0.804 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@H]1CCCCS1(=O)=O ZINC000826174659 609514981 /nfs/dbraw/zinc/51/49/81/609514981.db2.gz FGBDZSXLIPSBHT-GFCCVEGCSA-N -1 3 395.441 0.338 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@H]1CCCCS1(=O)=O ZINC000826174659 609514983 /nfs/dbraw/zinc/51/49/83/609514983.db2.gz FGBDZSXLIPSBHT-GFCCVEGCSA-N -1 3 395.441 0.338 20 0 GCADHM O=C(CN1C(=O)NC2(CCC(=O)CC2)C1=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826480045 609520346 /nfs/dbraw/zinc/52/03/46/609520346.db2.gz PROXBKSPTKNPAS-UHFFFAOYSA-N -1 3 383.368 0.239 20 0 GCADHM O=C(CN1C(=O)NC2(CCC(=O)CC2)C1=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826480045 609520349 /nfs/dbraw/zinc/52/03/49/609520349.db2.gz PROXBKSPTKNPAS-UHFFFAOYSA-N -1 3 383.368 0.239 20 0 GCADHM COCCNC(=O)CN1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000826160643 609524362 /nfs/dbraw/zinc/52/43/62/609524362.db2.gz ZVEWAXUUCGRQBH-UHFFFAOYSA-N -1 3 394.867 0.108 20 0 GCADHM COCCNC(=O)CN1CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000826160643 609524364 /nfs/dbraw/zinc/52/43/64/609524364.db2.gz ZVEWAXUUCGRQBH-UHFFFAOYSA-N -1 3 394.867 0.108 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCCNC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259595 609528384 /nfs/dbraw/zinc/52/83/84/609528384.db2.gz XCSFBNDQISZZOK-AWEZNQCLSA-N -1 3 380.412 0.759 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCCNC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259595 609528386 /nfs/dbraw/zinc/52/83/86/609528386.db2.gz XCSFBNDQISZZOK-AWEZNQCLSA-N -1 3 380.412 0.759 20 0 GCADHM Cc1cc(C(=O)NCCS(C)(=O)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259853 609532388 /nfs/dbraw/zinc/53/23/88/609532388.db2.gz JQYPLIMLENIYCI-UHFFFAOYSA-N -1 3 375.414 0.135 20 0 GCADHM Cc1cc(C(=O)NCCS(C)(=O)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259853 609532390 /nfs/dbraw/zinc/53/23/90/609532390.db2.gz JQYPLIMLENIYCI-UHFFFAOYSA-N -1 3 375.414 0.135 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000825470686 609536719 /nfs/dbraw/zinc/53/67/19/609536719.db2.gz ICMUSWBYASOFCX-UHFFFAOYSA-N -1 3 399.864 0.556 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000825470686 609536722 /nfs/dbraw/zinc/53/67/22/609536722.db2.gz ICMUSWBYASOFCX-UHFFFAOYSA-N -1 3 399.864 0.556 20 0 GCADHM CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826061045 609536781 /nfs/dbraw/zinc/53/67/81/609536781.db2.gz YXQRIDLWDXGZFE-UHFFFAOYSA-N -1 3 384.849 0.667 20 0 GCADHM CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826061045 609536782 /nfs/dbraw/zinc/53/67/82/609536782.db2.gz YXQRIDLWDXGZFE-UHFFFAOYSA-N -1 3 384.849 0.667 20 0 GCADHM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826497090 609538052 /nfs/dbraw/zinc/53/80/52/609538052.db2.gz ULWWLDSJGRWMSY-MRVPVSSYSA-N -1 3 391.862 0.233 20 0 GCADHM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826497090 609538053 /nfs/dbraw/zinc/53/80/53/609538053.db2.gz ULWWLDSJGRWMSY-MRVPVSSYSA-N -1 3 391.862 0.233 20 0 GCADHM O=C(CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)NC1CC1 ZINC000826406345 609539475 /nfs/dbraw/zinc/53/94/75/609539475.db2.gz SLURVEPILDEWBC-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM O=C(CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)NC1CC1 ZINC000826406345 609539476 /nfs/dbraw/zinc/53/94/76/609539476.db2.gz SLURVEPILDEWBC-UHFFFAOYSA-N -1 3 384.849 0.857 20 0 GCADHM CS(=O)(=O)CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826222781 609541249 /nfs/dbraw/zinc/54/12/49/609541249.db2.gz MTQMUVAONQVKJD-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM CS(=O)(=O)CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826222781 609541252 /nfs/dbraw/zinc/54/12/52/609541252.db2.gz MTQMUVAONQVKJD-UHFFFAOYSA-N -1 3 379.851 0.233 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)Nc1cccnc1 ZINC000826412953 609544026 /nfs/dbraw/zinc/54/40/26/609544026.db2.gz KSKOAQYZOYBLKY-UHFFFAOYSA-N -1 3 393.816 0.832 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)Nc1cccnc1 ZINC000826412953 609544028 /nfs/dbraw/zinc/54/40/28/609544028.db2.gz KSKOAQYZOYBLKY-UHFFFAOYSA-N -1 3 393.816 0.832 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824213735 609544215 /nfs/dbraw/zinc/54/42/15/609544215.db2.gz CPPROIOZCDHWNH-GFCCVEGCSA-N -1 3 384.849 0.665 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824213735 609544216 /nfs/dbraw/zinc/54/42/16/609544216.db2.gz CPPROIOZCDHWNH-GFCCVEGCSA-N -1 3 384.849 0.665 20 0 GCADHM CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826038617 609546008 /nfs/dbraw/zinc/54/60/08/609546008.db2.gz RKGRZFZVLQVDKR-LLVKDONJSA-N -1 3 385.881 0.044 20 0 GCADHM CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826038617 609546010 /nfs/dbraw/zinc/54/60/10/609546010.db2.gz RKGRZFZVLQVDKR-LLVKDONJSA-N -1 3 385.881 0.044 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825014450 609549618 /nfs/dbraw/zinc/54/96/18/609549618.db2.gz VSYBDCRMXGPPBR-QMMMGPOBSA-N -1 3 391.862 0.328 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825014450 609549620 /nfs/dbraw/zinc/54/96/20/609549620.db2.gz VSYBDCRMXGPPBR-QMMMGPOBSA-N -1 3 391.862 0.328 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1=O ZINC000824898528 609551826 /nfs/dbraw/zinc/55/18/26/609551826.db2.gz FNAAXBPLUATNLO-UBHAPETDSA-N -1 3 396.860 0.808 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1=O ZINC000824898528 609551828 /nfs/dbraw/zinc/55/18/28/609551828.db2.gz FNAAXBPLUATNLO-UBHAPETDSA-N -1 3 396.860 0.808 20 0 GCADHM CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1=O ZINC000824295867 609553147 /nfs/dbraw/zinc/55/31/47/609553147.db2.gz AUOOWLXOPZDHCE-JTQLQIEISA-N -1 3 398.832 0.334 20 0 GCADHM CC(C)N1C(=O)C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1=O ZINC000824295867 609553150 /nfs/dbraw/zinc/55/31/50/609553150.db2.gz AUOOWLXOPZDHCE-JTQLQIEISA-N -1 3 398.832 0.334 20 0 GCADHM CCC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000825034931 609556932 /nfs/dbraw/zinc/55/69/32/609556932.db2.gz ULRRRPAVBAAIKS-JTQLQIEISA-N -1 3 384.849 0.809 20 0 GCADHM CCC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000825034931 609556936 /nfs/dbraw/zinc/55/69/36/609556936.db2.gz ULRRRPAVBAAIKS-JTQLQIEISA-N -1 3 384.849 0.809 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)[C@@H](C)C1 ZINC000823980552 609557325 /nfs/dbraw/zinc/55/73/25/609557325.db2.gz FJAAWIIUEYWMBK-VIFPVBQESA-N -1 3 384.849 0.761 20 0 GCADHM CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)[C@@H](C)C1 ZINC000823980552 609557326 /nfs/dbraw/zinc/55/73/26/609557326.db2.gz FJAAWIIUEYWMBK-VIFPVBQESA-N -1 3 384.849 0.761 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000826501173 609561078 /nfs/dbraw/zinc/56/10/78/609561078.db2.gz CSWYGFCRRMAXOI-UHFFFAOYSA-N -1 3 393.816 0.763 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000826501173 609561082 /nfs/dbraw/zinc/56/10/82/609561082.db2.gz CSWYGFCRRMAXOI-UHFFFAOYSA-N -1 3 393.816 0.763 20 0 GCADHM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825663879 609562725 /nfs/dbraw/zinc/56/27/25/609562725.db2.gz YNGCKSXTAYMOCH-UHFFFAOYSA-N -1 3 393.878 0.575 20 0 GCADHM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825663879 609562727 /nfs/dbraw/zinc/56/27/27/609562727.db2.gz YNGCKSXTAYMOCH-UHFFFAOYSA-N -1 3 393.878 0.575 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825659191 609562864 /nfs/dbraw/zinc/56/28/64/609562864.db2.gz PTMXQHAYUUALEF-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825659191 609562867 /nfs/dbraw/zinc/56/28/67/609562867.db2.gz PTMXQHAYUUALEF-MRVPVSSYSA-N -1 3 393.878 0.622 20 0 GCADHM CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826227794 609563135 /nfs/dbraw/zinc/56/31/35/609563135.db2.gz XVFVRFRQIYECLX-OIBJUYFYSA-N -1 3 377.879 0.911 20 0 GCADHM CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826227794 609563137 /nfs/dbraw/zinc/56/31/37/609563137.db2.gz XVFVRFRQIYECLX-OIBJUYFYSA-N -1 3 377.879 0.911 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259689 609563443 /nfs/dbraw/zinc/56/34/43/609563443.db2.gz ZZOHIPHQDJSTRM-ZDUSSCGKSA-N -1 3 380.412 0.711 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCC(=O)N(C)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259689 609563445 /nfs/dbraw/zinc/56/34/45/609563445.db2.gz ZZOHIPHQDJSTRM-ZDUSSCGKSA-N -1 3 380.412 0.711 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825176151 609564335 /nfs/dbraw/zinc/56/43/35/609564335.db2.gz HZXAGRKSUGSOAO-OAHLLOKOSA-N -1 3 380.412 0.711 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825176151 609564336 /nfs/dbraw/zinc/56/43/36/609564336.db2.gz HZXAGRKSUGSOAO-OAHLLOKOSA-N -1 3 380.412 0.711 20 0 GCADHM CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000825154987 609566715 /nfs/dbraw/zinc/56/67/15/609566715.db2.gz WUGATALDDYYZGO-LBPRGKRZSA-N -1 3 384.437 0.083 20 0 GCADHM CC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000825154987 609566718 /nfs/dbraw/zinc/56/67/18/609566718.db2.gz WUGATALDDYYZGO-LBPRGKRZSA-N -1 3 384.437 0.083 20 0 GCADHM CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000825152829 609566759 /nfs/dbraw/zinc/56/67/59/609566759.db2.gz CTPOQWCMBNWDPB-GFCCVEGCSA-N -1 3 384.437 0.083 20 0 GCADHM CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000825152829 609566761 /nfs/dbraw/zinc/56/67/61/609566761.db2.gz CTPOQWCMBNWDPB-GFCCVEGCSA-N -1 3 384.437 0.083 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826279129 609571301 /nfs/dbraw/zinc/57/13/01/609571301.db2.gz GLRCCIRAALGABO-LSDHHAIUSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826279129 609571303 /nfs/dbraw/zinc/57/13/03/609571303.db2.gz GLRCCIRAALGABO-LSDHHAIUSA-N -1 3 392.485 0.395 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1Cl)CC2 ZINC000826337494 609571544 /nfs/dbraw/zinc/57/15/44/609571544.db2.gz QIEOAEHVJODSDC-JTQLQIEISA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1Cl)CC2 ZINC000826337494 609571547 /nfs/dbraw/zinc/57/15/47/609571547.db2.gz QIEOAEHVJODSDC-JTQLQIEISA-N -1 3 394.848 0.713 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826495149 609571887 /nfs/dbraw/zinc/57/18/87/609571887.db2.gz DWKCFSGRJVMJIP-CABCVRRESA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826495149 609571888 /nfs/dbraw/zinc/57/18/88/609571888.db2.gz DWKCFSGRJVMJIP-CABCVRRESA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826486432 609572404 /nfs/dbraw/zinc/57/24/04/609572404.db2.gz CKHMYTHELWDUHJ-CVEARBPZSA-N -1 3 392.485 0.228 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826495317 609572485 /nfs/dbraw/zinc/57/24/85/609572485.db2.gz LDLUCEKARAUIJG-KGLIPLIRSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826495317 609572487 /nfs/dbraw/zinc/57/24/87/609572487.db2.gz LDLUCEKARAUIJG-KGLIPLIRSA-N -1 3 396.448 0.226 20 0 GCADHM CN(C)c1ncc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000825884257 609574036 /nfs/dbraw/zinc/57/40/36/609574036.db2.gz XEYBBKZQXXGSSB-UHFFFAOYSA-N -1 3 392.420 0.683 20 0 GCADHM CN(C)c1ncc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000825884257 609574038 /nfs/dbraw/zinc/57/40/38/609574038.db2.gz XEYBBKZQXXGSSB-UHFFFAOYSA-N -1 3 392.420 0.683 20 0 GCADHM Cc1cc(C(=O)N2CCn3cnnc3C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258819 609577081 /nfs/dbraw/zinc/57/70/81/609577081.db2.gz YBNQAPRXDHVZDH-UHFFFAOYSA-N -1 3 376.384 0.608 20 0 GCADHM Cc1cc(C(=O)N2CCn3cnnc3C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258819 609577084 /nfs/dbraw/zinc/57/70/84/609577084.db2.gz YBNQAPRXDHVZDH-UHFFFAOYSA-N -1 3 376.384 0.608 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258846 609579365 /nfs/dbraw/zinc/57/93/65/609579365.db2.gz YZZRNQLPNKMVTN-SUMWQHHRSA-N -1 3 396.455 0.810 20 0 GCADHM Cc1cc(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258846 609579367 /nfs/dbraw/zinc/57/93/67/609579367.db2.gz YZZRNQLPNKMVTN-SUMWQHHRSA-N -1 3 396.455 0.810 20 0 GCADHM Cc1ccnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000826310197 609587018 /nfs/dbraw/zinc/58/70/18/609587018.db2.gz OFRUDGDJHAHOJV-CYBMUJFWSA-N -1 3 393.473 0.201 20 0 GCADHM Cc1ccnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826310197 609587021 /nfs/dbraw/zinc/58/70/21/609587021.db2.gz OFRUDGDJHAHOJV-CYBMUJFWSA-N -1 3 393.473 0.201 20 0 GCADHM Cc1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260653 609589544 /nfs/dbraw/zinc/58/95/44/609589544.db2.gz ZEFGOHLCCWBSHA-CQSZACIVSA-N -1 3 382.428 0.991 20 0 GCADHM Cc1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260653 609589545 /nfs/dbraw/zinc/58/95/45/609589545.db2.gz ZEFGOHLCCWBSHA-CQSZACIVSA-N -1 3 382.428 0.991 20 0 GCADHM Cn1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826360880 609596586 /nfs/dbraw/zinc/59/65/86/609596586.db2.gz BPLKCHOHAFKNPX-OAHLLOKOSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826360880 609596588 /nfs/dbraw/zinc/59/65/88/609596588.db2.gz BPLKCHOHAFKNPX-OAHLLOKOSA-N -1 3 395.427 0.595 20 0 GCADHM O=C(NCc1cc[nH]n1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826440452 609607252 /nfs/dbraw/zinc/60/72/52/609607252.db2.gz NCQCIEANGCLJQW-CQSZACIVSA-N -1 3 381.400 0.585 20 0 GCADHM O=C(NCCn1cccn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826439858 609607272 /nfs/dbraw/zinc/60/72/72/609607272.db2.gz NRHCQQGCMYVQEY-HNNXBMFYSA-N -1 3 395.427 0.558 20 0 GCADHM O=C(NCCn1cccn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826439858 609607274 /nfs/dbraw/zinc/60/72/74/609607274.db2.gz NRHCQQGCMYVQEY-HNNXBMFYSA-N -1 3 395.427 0.558 20 0 GCADHM Cc1nnccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826338435 609609210 /nfs/dbraw/zinc/60/92/10/609609210.db2.gz VOBZNODJBQTZHM-HNNXBMFYSA-N -1 3 378.396 0.891 20 0 GCADHM Cc1nnccc1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826338435 609609212 /nfs/dbraw/zinc/60/92/12/609609212.db2.gz VOBZNODJBQTZHM-HNNXBMFYSA-N -1 3 378.396 0.891 20 0 GCADHM O=S(=O)(NC[C@H]1CCCCS1(=O)=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826490238 609610314 /nfs/dbraw/zinc/61/03/14/609610314.db2.gz NYQJMBRGZLAHKF-SNVBAGLBSA-N -1 3 389.434 0.251 20 0 GCADHM O=S(=O)(NC[C@H]1CCCCS1(=O)=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826490238 609610316 /nfs/dbraw/zinc/61/03/16/609610316.db2.gz NYQJMBRGZLAHKF-SNVBAGLBSA-N -1 3 389.434 0.251 20 0 GCADHM CN1N=C(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC1=O ZINC000826050900 609610563 /nfs/dbraw/zinc/61/05/63/609610563.db2.gz HSJBGEJQFOIVHO-AWEZNQCLSA-N -1 3 396.411 0.087 20 0 GCADHM CN1N=C(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC1=O ZINC000826050900 609610565 /nfs/dbraw/zinc/61/05/65/609610565.db2.gz HSJBGEJQFOIVHO-AWEZNQCLSA-N -1 3 396.411 0.087 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NC[C@@H]1CCCCS1(=O)=O ZINC000826486852 609610667 /nfs/dbraw/zinc/61/06/67/609610667.db2.gz UNHZVHCIICQZEF-ZDUSSCGKSA-N -1 3 385.471 0.253 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NC[C@@H]1CCCCS1(=O)=O ZINC000826486852 609610669 /nfs/dbraw/zinc/61/06/69/609610669.db2.gz UNHZVHCIICQZEF-ZDUSSCGKSA-N -1 3 385.471 0.253 20 0 GCADHM COCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)no1 ZINC000826164329 609612099 /nfs/dbraw/zinc/61/20/99/609612099.db2.gz RDQZTRSDCQTFRY-CQSZACIVSA-N -1 3 397.395 0.927 20 0 GCADHM COCc1cc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)no1 ZINC000826164329 609612100 /nfs/dbraw/zinc/61/21/00/609612100.db2.gz RDQZTRSDCQTFRY-CQSZACIVSA-N -1 3 397.395 0.927 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826265328 609612131 /nfs/dbraw/zinc/61/21/31/609612131.db2.gz VGWILBJVSUMHSX-INIZCTEOSA-N -1 3 394.439 0.992 20 0 GCADHM Cc1cc(C)n(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826265328 609612132 /nfs/dbraw/zinc/61/21/32/609612132.db2.gz VGWILBJVSUMHSX-INIZCTEOSA-N -1 3 394.439 0.992 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826129691 609612352 /nfs/dbraw/zinc/61/23/52/609612352.db2.gz YIJDKIXEVABQRB-MJBXVCDLSA-N -1 3 384.396 0.287 20 0 GCADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826129691 609612354 /nfs/dbraw/zinc/61/23/54/609612354.db2.gz YIJDKIXEVABQRB-MJBXVCDLSA-N -1 3 384.396 0.287 20 0 GCADHM O=C(Cn1ccccc1=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826424569 609612460 /nfs/dbraw/zinc/61/24/60/609612460.db2.gz RXFZIHKXFRTRAP-OAHLLOKOSA-N -1 3 393.407 0.340 20 0 GCADHM O=C(Cn1ccccc1=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826424569 609612461 /nfs/dbraw/zinc/61/24/61/609612461.db2.gz RXFZIHKXFRTRAP-OAHLLOKOSA-N -1 3 393.407 0.340 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)[C@H]1CCCOC1 ZINC000824489571 609620060 /nfs/dbraw/zinc/62/00/60/609620060.db2.gz LPHSXGCNUAPBQD-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)[C@H]1CCCOC1 ZINC000824489571 609620062 /nfs/dbraw/zinc/62/00/62/609620062.db2.gz LPHSXGCNUAPBQD-KGLIPLIRSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)[C@@H]1CCCOC1 ZINC000824489573 609620123 /nfs/dbraw/zinc/62/01/23/609620123.db2.gz LPHSXGCNUAPBQD-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)[C@@H]1CCCOC1 ZINC000824489573 609620124 /nfs/dbraw/zinc/62/01/24/609620124.db2.gz LPHSXGCNUAPBQD-ZIAGYGMSSA-N -1 3 386.460 0.908 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NCC[C@@H]1CCCCO1 ZINC000826420068 609620588 /nfs/dbraw/zinc/62/05/88/609620588.db2.gz XHBFTCTZXDGXRD-HNNXBMFYSA-N -1 3 393.469 0.857 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCO2)no1 ZINC000826324806 609621881 /nfs/dbraw/zinc/62/18/81/609621881.db2.gz FOAPGWHKZRVTMY-LBPRGKRZSA-N -1 3 384.356 0.097 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCO2)no1 ZINC000826324806 609621883 /nfs/dbraw/zinc/62/18/83/609621883.db2.gz FOAPGWHKZRVTMY-LBPRGKRZSA-N -1 3 384.356 0.097 20 0 GCADHM Cc1cc(C(=O)OCCN2C(=O)CCC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261778 609627376 /nfs/dbraw/zinc/62/73/76/609627376.db2.gz RJPRHBVNUAOMPA-UHFFFAOYSA-N -1 3 395.379 0.667 20 0 GCADHM Cc1cc(C(=O)OCCN2C(=O)CCC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261778 609627377 /nfs/dbraw/zinc/62/73/77/609627377.db2.gz RJPRHBVNUAOMPA-UHFFFAOYSA-N -1 3 395.379 0.667 20 0 GCADHM Cc1cc(C(=O)OCCN2C(=O)CNC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261568 609627391 /nfs/dbraw/zinc/62/73/91/609627391.db2.gz KBQSQTDRVBQHIW-UHFFFAOYSA-N -1 3 396.367 0.069 20 0 GCADHM Cc1cc(C(=O)OCCN2C(=O)CNC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261568 609627392 /nfs/dbraw/zinc/62/73/92/609627392.db2.gz KBQSQTDRVBQHIW-UHFFFAOYSA-N -1 3 396.367 0.069 20 0 GCADHM Cc1cc(N2CC[C@@H](OC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000826269168 609630552 /nfs/dbraw/zinc/63/05/52/609630552.db2.gz CFSRYJDMYHEZNI-HIFRSBDPSA-N -1 3 397.395 0.291 20 0 GCADHM Cc1cc(N2CC[C@@H](OC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000826269168 609630554 /nfs/dbraw/zinc/63/05/54/609630554.db2.gz CFSRYJDMYHEZNI-HIFRSBDPSA-N -1 3 397.395 0.291 20 0 GCADHM O=C(COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)NC(=O)Nc1ccccc1 ZINC000826415295 609632766 /nfs/dbraw/zinc/63/27/66/609632766.db2.gz ZIWJMAUHUJAFMW-OAHLLOKOSA-N -1 3 396.363 0.792 20 0 GCADHM O=C(COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)NC(=O)Nc1ccccc1 ZINC000826415295 609632767 /nfs/dbraw/zinc/63/27/67/609632767.db2.gz ZIWJMAUHUJAFMW-OAHLLOKOSA-N -1 3 396.363 0.792 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826333892 609635250 /nfs/dbraw/zinc/63/52/50/609635250.db2.gz YUPQCHJCHLPBQF-ABAIWWIYSA-N -1 3 399.411 0.821 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826333892 609635252 /nfs/dbraw/zinc/63/52/52/609635252.db2.gz YUPQCHJCHLPBQF-ABAIWWIYSA-N -1 3 399.411 0.821 20 0 GCADHM O=C(OCc1nnnn1-c1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826467577 609635811 /nfs/dbraw/zinc/63/58/11/609635811.db2.gz CFLKAAWQOMMYAL-OAHLLOKOSA-N -1 3 378.352 0.619 20 0 GCADHM O=C(OCc1nnnn1-c1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826467577 609635812 /nfs/dbraw/zinc/63/58/12/609635812.db2.gz CFLKAAWQOMMYAL-OAHLLOKOSA-N -1 3 378.352 0.619 20 0 GCADHM O=C(OCCn1cnc2ccccc2c1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826464178 609636685 /nfs/dbraw/zinc/63/66/85/609636685.db2.gz LQOBHPKWVHUMIN-INIZCTEOSA-N -1 3 392.375 0.853 20 0 GCADHM O=C(OCCn1cnc2ccccc2c1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826464178 609636687 /nfs/dbraw/zinc/63/66/87/609636687.db2.gz LQOBHPKWVHUMIN-INIZCTEOSA-N -1 3 392.375 0.853 20 0 GCADHM O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826463330 609637129 /nfs/dbraw/zinc/63/71/29/609637129.db2.gz AZBRCJZQDMGERD-OAHLLOKOSA-N -1 3 393.359 0.740 20 0 GCADHM O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826463330 609637130 /nfs/dbraw/zinc/63/71/30/609637130.db2.gz AZBRCJZQDMGERD-OAHLLOKOSA-N -1 3 393.359 0.740 20 0 GCADHM CC(C)[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC000824207003 609637686 /nfs/dbraw/zinc/63/76/86/609637686.db2.gz NMCOJMGJCCKVMJ-LSDHHAIUSA-N -1 3 389.412 0.327 20 0 GCADHM CC(C)[C@@H](OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC000824207003 609637687 /nfs/dbraw/zinc/63/76/87/609637687.db2.gz NMCOJMGJCCKVMJ-LSDHHAIUSA-N -1 3 389.412 0.327 20 0 GCADHM CCC[C@](C)(O)C[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866846183 638431588 /nfs/dbraw/zinc/43/15/88/638431588.db2.gz 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GCADHM COCCn1ccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1=O ZINC001185632407 1205926213 /nfs/dbraw/zinc/92/62/13/1205926213.db2.gz YAYYJCIIFMFXEF-UHFFFAOYSA-N -1 3 376.398 0.476 20 0 GCADHM COCCn1ccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1=O ZINC001185632407 1205926214 /nfs/dbraw/zinc/92/62/14/1205926214.db2.gz YAYYJCIIFMFXEF-UHFFFAOYSA-N -1 3 376.398 0.476 20 0 GCADHM O=S(=O)(NCc1cn(Cc2ccncc2)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185632069 1205926415 /nfs/dbraw/zinc/92/64/15/1205926415.db2.gz QXJQFCCEBRLTML-UHFFFAOYSA-N -1 3 396.436 0.985 20 0 GCADHM O=S(=O)(NCc1cn(Cc2ccncc2)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185632069 1205926417 /nfs/dbraw/zinc/92/64/17/1205926417.db2.gz QXJQFCCEBRLTML-UHFFFAOYSA-N -1 3 396.436 0.985 20 0 GCADHM COCCn1cccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001185638779 1205926428 /nfs/dbraw/zinc/92/64/28/1205926428.db2.gz WEILMPAGDIXUMT-UHFFFAOYSA-N -1 3 376.398 0.476 20 0 GCADHM O=S(=O)(N[C@H]1CCN(Cc2ccncc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185631496 1205926434 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GCADHM COc1ccc([C@H](CO)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001185623419 1205927085 /nfs/dbraw/zinc/92/70/85/1205927085.db2.gz HULKZIZECMFQPL-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc([C@H](CO)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001185623419 1205927086 /nfs/dbraw/zinc/92/70/86/1205927086.db2.gz HULKZIZECMFQPL-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccnc1 ZINC001185623369 1205927169 /nfs/dbraw/zinc/92/71/69/1205927169.db2.gz GFBORCIFXSRXFG-CQSZACIVSA-N -1 3 388.409 0.844 20 0 GCADHM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC001185623369 1205927170 /nfs/dbraw/zinc/92/71/70/1205927170.db2.gz GFBORCIFXSRXFG-CQSZACIVSA-N -1 3 388.409 0.844 20 0 GCADHM O=S(=O)(NC[C@]1(O)CCOc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC001185624211 1205927323 /nfs/dbraw/zinc/92/73/23/1205927323.db2.gz QRWDKHQFDQNGIQ-QGZVFWFLSA-N -1 3 387.421 0.815 20 0 GCADHM O=S(=O)(NC[C@]1(O)CCOc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC001185624211 1205927324 /nfs/dbraw/zinc/92/73/24/1205927324.db2.gz QRWDKHQFDQNGIQ-QGZVFWFLSA-N -1 3 387.421 0.815 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC001185624384 1205927374 /nfs/dbraw/zinc/92/73/74/1205927374.db2.gz UAJVOLQCGKZOSA-AWEZNQCLSA-N -1 3 394.457 0.028 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC001185624384 1205927375 /nfs/dbraw/zinc/92/73/75/1205927375.db2.gz UAJVOLQCGKZOSA-AWEZNQCLSA-N -1 3 394.457 0.028 20 0 GCADHM CC(=O)O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001185844466 1205930569 /nfs/dbraw/zinc/93/05/69/1205930569.db2.gz SICITNZGIALZLZ-MGPQQGTHSA-N -1 3 396.444 0.413 20 0 GCADHM COC(=O)[C@H]1CCN(CC(=O)N2CCC[C@H]2C(=O)[N-]C(=O)OC(C)(C)C)C1 ZINC001186108172 1205935446 /nfs/dbraw/zinc/93/54/46/1205935446.db2.gz XXNVDMAYPKVZNB-STQMWFEESA-N -1 3 383.445 0.524 20 0 GCADHM O=S(=O)(CCC[N-]S(=O)(=O)N=S1(=O)CCCC1)c1ccccc1 ZINC001186140475 1205935530 /nfs/dbraw/zinc/93/55/30/1205935530.db2.gz 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GCADHM O=C(c1ccccc1-c1nnn[n-]1)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001186992840 1205954083 /nfs/dbraw/zinc/95/40/83/1205954083.db2.gz UHILGWBKTXEJFZ-BZUAXINKSA-N -1 3 398.423 0.793 20 0 GCADHM O=C(c1ccccc1-c1nn[n-]n1)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001186992840 1205954086 /nfs/dbraw/zinc/95/40/86/1205954086.db2.gz UHILGWBKTXEJFZ-BZUAXINKSA-N -1 3 398.423 0.793 20 0 GCADHM O=C(c1ccccc1-c1nnn[n-]1)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001186998586 1205954140 /nfs/dbraw/zinc/95/41/40/1205954140.db2.gz FRPSHNRTQVTJNU-GFCCVEGCSA-N -1 3 399.436 0.455 20 0 GCADHM O=C(c1ccccc1-c1nn[n-]n1)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001186998586 1205954141 /nfs/dbraw/zinc/95/41/41/1205954141.db2.gz FRPSHNRTQVTJNU-GFCCVEGCSA-N -1 3 399.436 0.455 20 0 GCADHM COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)c1ccccc1-c1nnn[n-]1 ZINC001186999869 1205954276 /nfs/dbraw/zinc/95/42/76/1205954276.db2.gz RAQNXJRIGIUUTJ-MFKMUULPSA-N -1 3 377.382 0.096 20 0 GCADHM COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)c1ccccc1-c1nn[n-]n1 ZINC001186999869 1205954278 /nfs/dbraw/zinc/95/42/78/1205954278.db2.gz RAQNXJRIGIUUTJ-MFKMUULPSA-N -1 3 377.382 0.096 20 0 GCADHM Cn1c(=O)cc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)n(C)c1=O ZINC001187155312 1205956148 /nfs/dbraw/zinc/95/61/48/1205956148.db2.gz XSFAEXNMJPSAIJ-UHFFFAOYSA-N -1 3 375.819 0.247 20 0 GCADHM CCN1C[C@@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1=O ZINC001187164872 1205957236 /nfs/dbraw/zinc/95/72/36/1205957236.db2.gz VPGBHBXSJOZMKR-UONOGXRCSA-N -1 3 385.873 0.986 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](O)COc1c(C)cccc1C ZINC001187325075 1205959571 /nfs/dbraw/zinc/95/95/71/1205959571.db2.gz HXTRTJISAOLANG-ZDUSSCGKSA-N -1 3 397.453 0.840 20 0 GCADHM Cc1oncc1S(=O)(=O)[N-]C1CCC2(CCC(=O)N2CC(=O)N(C)C)CC1 ZINC001187388568 1205962503 /nfs/dbraw/zinc/96/25/03/1205962503.db2.gz KXLXVCIAGGUBIT-UHFFFAOYSA-N -1 3 398.485 0.653 20 0 GCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H]2CC3(CCC3)CO2)C(=O)N1c1cnn(C)c1 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382.380 0.913 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(c2cnn(C)c2)CC1 ZINC000819877170 945303483 /nfs/dbraw/zinc/30/34/83/945303483.db2.gz QEFPMTFQMCRZMA-CYBMUJFWSA-N -1 3 381.444 0.749 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(c2cnn(C)c2)CC1 ZINC000819877170 945303493 /nfs/dbraw/zinc/30/34/93/945303493.db2.gz QEFPMTFQMCRZMA-CYBMUJFWSA-N -1 3 381.444 0.749 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(CC[S@](C)=O)CC1 ZINC000819876671 945303819 /nfs/dbraw/zinc/30/38/19/945303819.db2.gz IRXFPBMRZHGOSI-QWVSSGJLSA-N -1 3 391.501 0.190 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(CC[S@](C)=O)CC1 ZINC000819876671 945303826 /nfs/dbraw/zinc/30/38/26/945303826.db2.gz IRXFPBMRZHGOSI-QWVSSGJLSA-N -1 3 391.501 0.190 20 0 GCADHM CC(C)(C(N)=O)N1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000819892094 945307706 /nfs/dbraw/zinc/30/77/06/945307706.db2.gz UKJMKCGRQNAVCH-UHFFFAOYSA-N -1 3 397.443 0.298 20 0 GCADHM CC(C)(C(N)=O)N1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 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C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)C1=CCOCC1 ZINC001571257817 945345913 /nfs/dbraw/zinc/34/59/13/945345913.db2.gz JVHLATINBRUSRK-DGCLKSJQSA-N -1 3 385.428 0.651 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571258208 945349640 /nfs/dbraw/zinc/34/96/40/945349640.db2.gz NRDZWLRGVJRFDF-LBPRGKRZSA-N -1 3 385.407 0.622 20 0 GCADHM CCn1nncc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571258208 945349652 /nfs/dbraw/zinc/34/96/52/945349652.db2.gz NRDZWLRGVJRFDF-LBPRGKRZSA-N -1 3 385.407 0.622 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571258268 945350485 /nfs/dbraw/zinc/35/04/85/945350485.db2.gz OKJQENRBYVCCGP-BHPKHCPMSA-N -1 3 385.428 0.435 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571258268 945350496 /nfs/dbraw/zinc/35/04/96/945350496.db2.gz OKJQENRBYVCCGP-BHPKHCPMSA-N -1 3 385.428 0.435 20 0 GCADHM CCn1nccc1C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571258287 945350522 /nfs/dbraw/zinc/35/05/22/945350522.db2.gz OZSAAXQZXCRQSK-LLVKDONJSA-N -1 3 385.407 0.874 20 0 GCADHM CCn1nccc1C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571258287 945350531 /nfs/dbraw/zinc/35/05/31/945350531.db2.gz OZSAAXQZXCRQSK-LLVKDONJSA-N -1 3 385.407 0.874 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001571258432 945353701 /nfs/dbraw/zinc/35/37/01/945353701.db2.gz QPIPJYMQMLFUFE-CYBMUJFWSA-N -1 3 385.407 0.481 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001571258433 945354153 /nfs/dbraw/zinc/35/41/53/945354153.db2.gz QPIPJYMQMLFUFE-ZDUSSCGKSA-N -1 3 385.407 0.481 20 0 GCADHM Cn1cnc(C(=O)NC[C@@H]2CCCN2Cc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC001571258543 945355570 /nfs/dbraw/zinc/35/55/70/945355570.db2.gz VPDSXUJUONKDNK-ZDUSSCGKSA-N -1 3 385.407 0.529 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001571258482 945355625 /nfs/dbraw/zinc/35/56/25/945355625.db2.gz SNGDVCZVHXRXOA-UHFFFAOYSA-N -1 3 385.425 0.845 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001571258482 945355632 /nfs/dbraw/zinc/35/56/32/945355632.db2.gz SNGDVCZVHXRXOA-UHFFFAOYSA-N -1 3 385.425 0.845 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@]2(CCN(C(=O)C3CC3)C2)O1 ZINC001571258576 945357739 /nfs/dbraw/zinc/35/77/39/945357739.db2.gz WNCLWHSVZRCAOE-ADLMAVQZSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@]2(CCN(C(=O)C3CC3)C2)O1 ZINC001571258576 945357753 /nfs/dbraw/zinc/35/77/53/945357753.db2.gz WNCLWHSVZRCAOE-ADLMAVQZSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@]2(CCN(C(=O)C3CC3)C2)O1 ZINC001571258577 945357978 /nfs/dbraw/zinc/35/79/78/945357978.db2.gz WNCLWHSVZRCAOE-BBATYDOGSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@]2(CCN(C(=O)C3CC3)C2)O1 ZINC001571258577 945357990 /nfs/dbraw/zinc/35/79/90/945357990.db2.gz WNCLWHSVZRCAOE-BBATYDOGSA-N -1 3 385.428 0.437 20 0 GCADHM CN(C(=O)c1ncn(C)n1)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571258584 945359182 /nfs/dbraw/zinc/35/91/82/945359182.db2.gz WOXIXOQVGDAXCF-ZDUSSCGKSA-N -1 3 385.407 0.481 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571258619 945359903 /nfs/dbraw/zinc/35/99/03/945359903.db2.gz XOTJCJFEYQDNTA-LLVKDONJSA-N -1 3 385.407 0.760 20 0 GCADHM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571258619 945359911 /nfs/dbraw/zinc/35/99/11/945359911.db2.gz XOTJCJFEYQDNTA-LLVKDONJSA-N -1 3 385.407 0.760 20 0 GCADHM Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001571258857 945365958 /nfs/dbraw/zinc/36/59/58/945365958.db2.gz DFYJIXIJXCKZFO-DOMZBBRYSA-N -1 3 385.428 0.834 20 0 GCADHM Cn1ccc(CC(=O)N2CCC(Nc3ncc(-c4nnn[n-]4)cc3F)CC2)n1 ZINC001571258713 945362235 /nfs/dbraw/zinc/36/22/35/945362235.db2.gz ZYTALSIMXIGDPZ-UHFFFAOYSA-N -1 3 385.407 0.780 20 0 GCADHM Cn1ccc(CC(=O)N2CCC(Nc3ncc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC001571258713 945362245 /nfs/dbraw/zinc/36/22/45/945362245.db2.gz ZYTALSIMXIGDPZ-UHFFFAOYSA-N -1 3 385.407 0.780 20 0 GCADHM CCCc1nc(CNC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571258831 945365536 /nfs/dbraw/zinc/36/55/36/945365536.db2.gz CLOAAICGSGWPGQ-LLVKDONJSA-N -1 3 385.432 0.782 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)C2=CCCCCC2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571258840 945366848 /nfs/dbraw/zinc/36/68/48/945366848.db2.gz CPPLLQKVHGGFGS-CABCVRRESA-N -1 3 385.428 0.387 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)C2=CCCCCC2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571258840 945366860 /nfs/dbraw/zinc/36/68/60/945366860.db2.gz CPPLLQKVHGGFGS-CABCVRRESA-N -1 3 385.428 0.387 20 0 GCADHM CC(=O)NC1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735475245 944664131 /nfs/dbraw/zinc/66/41/31/944664131.db2.gz OAELMQJBZWQPPP-KRWDZBQOSA-N -1 3 383.456 0.963 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@H](C)N1CCOCC1 ZINC000736096910 944737580 /nfs/dbraw/zinc/73/75/80/944737580.db2.gz PGWZTNQRXRYROY-QWRGUYRKSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@H](C)N1CCOCC1 ZINC000736096910 944737584 /nfs/dbraw/zinc/73/75/84/944737584.db2.gz PGWZTNQRXRYROY-QWRGUYRKSA-N -1 3 391.407 0.170 20 0 GCADHM CCn1nc(C)cc1C(=O)Nc1nc(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736730844 944879378 /nfs/dbraw/zinc/87/93/78/944879378.db2.gz IIPFETDBURMGMY-UHFFFAOYSA-N -1 3 378.400 0.955 20 0 GCADHM CN(CCN1CCCC1=O)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736798814 944894228 /nfs/dbraw/zinc/89/42/28/944894228.db2.gz HVCUEUDPLDFMCE-MRXNPFEDSA-N -1 3 383.456 0.916 20 0 GCADHM CN1CC(=O)N(c2cccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)c2)C1=O ZINC000736844419 944898843 /nfs/dbraw/zinc/89/88/43/944898843.db2.gz ASWRLPIXKLBZPU-UHFFFAOYSA-N -1 3 378.352 0.912 20 0 GCADHM CN1CC(=O)N(c2cccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)c2)C1=O ZINC000736844419 944898845 /nfs/dbraw/zinc/89/88/45/944898845.db2.gz ASWRLPIXKLBZPU-UHFFFAOYSA-N -1 3 378.352 0.912 20 0 GCADHM COC[C@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736970180 944922569 /nfs/dbraw/zinc/92/25/69/944922569.db2.gz BNXKPVMQTBTBSV-ORAYPTAESA-N -1 3 399.455 0.950 20 0 GCADHM COCCN(C(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736987902 944929620 /nfs/dbraw/zinc/92/96/20/944929620.db2.gz GZWPADNKHQKFLX-LBPRGKRZSA-N -1 3 379.442 0.671 20 0 GCADHM COCCN(C(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736987902 944929628 /nfs/dbraw/zinc/92/96/28/944929628.db2.gz GZWPADNKHQKFLX-LBPRGKRZSA-N -1 3 379.442 0.671 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571258958 945371246 /nfs/dbraw/zinc/37/12/46/945371246.db2.gz FQRHSRJHUUHGFC-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571258958 945371258 /nfs/dbraw/zinc/37/12/58/945371258.db2.gz FQRHSRJHUUHGFC-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM O=C(N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1)[C@]12C[C@H]1COC2 ZINC001571259022 945373402 /nfs/dbraw/zinc/37/34/02/945373402.db2.gz GMMZDKAOSJMJPL-UGSOOPFHSA-N -1 3 385.428 0.064 20 0 GCADHM O=C(N1CCC(O)(CNc2ccc(-c3nn[n-]n3)cn2)CC1)[C@]12C[C@H]1COC2 ZINC001571259022 945373414 /nfs/dbraw/zinc/37/34/14/945373414.db2.gz GMMZDKAOSJMJPL-UGSOOPFHSA-N -1 3 385.428 0.064 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)[C@H]1CCCC12CC2 ZINC001571259192 945377689 /nfs/dbraw/zinc/37/76/89/945377689.db2.gz JFOSWZGKSOPQGK-LERXQTSPSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)[C@H]1CCCC12CC2 ZINC001571259192 945377701 /nfs/dbraw/zinc/37/77/01/945377701.db2.gz JFOSWZGKSOPQGK-LERXQTSPSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@]23CCOC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571259426 945387020 /nfs/dbraw/zinc/38/70/20/945387020.db2.gz NEQIVWNZISFDSE-AFVHBRRKSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@@]23CCOC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571259426 945387037 /nfs/dbraw/zinc/38/70/37/945387037.db2.gz NEQIVWNZISFDSE-AFVHBRRKSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571259531 945392115 /nfs/dbraw/zinc/39/21/15/945392115.db2.gz OCMYZXJMKLYRAU-NFAWXSAZSA-N -1 3 385.428 0.341 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCO[C@H]1C1CC1 ZINC001571259531 945392123 /nfs/dbraw/zinc/39/21/23/945392123.db2.gz OCMYZXJMKLYRAU-NFAWXSAZSA-N -1 3 385.428 0.341 20 0 GCADHM CN(C(=O)[C@H]1CNC(=O)N1)C1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571259532 945392336 /nfs/dbraw/zinc/39/23/36/945392336.db2.gz OCTXRZIJIQAPSR-MMWSSPAHSA-N -1 3 385.432 0.125 20 0 GCADHM CN(C(=O)[C@H]1CNC(=O)N1)C1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571259532 945392347 /nfs/dbraw/zinc/39/23/47/945392347.db2.gz OCTXRZIJIQAPSR-MMWSSPAHSA-N -1 3 385.432 0.125 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCCO1)C2 ZINC001571259607 945392902 /nfs/dbraw/zinc/39/29/02/945392902.db2.gz PDPVDDAFACJMOC-TYNCELHUSA-N -1 3 385.428 0.579 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCCO1)C2 ZINC001571259607 945392912 /nfs/dbraw/zinc/39/29/12/945392912.db2.gz PDPVDDAFACJMOC-TYNCELHUSA-N -1 3 385.428 0.579 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571259735 945397633 /nfs/dbraw/zinc/39/76/33/945397633.db2.gz QCABKZKRONNSGO-OSFYFWSMSA-N -1 3 385.428 0.626 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571259735 945397639 /nfs/dbraw/zinc/39/76/39/945397639.db2.gz QCABKZKRONNSGO-OSFYFWSMSA-N -1 3 385.428 0.626 20 0 GCADHM C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820261289 945399652 /nfs/dbraw/zinc/39/96/52/945399652.db2.gz MDIMTGPLRGZXHS-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820261289 945399659 /nfs/dbraw/zinc/39/96/59/945399659.db2.gz MDIMTGPLRGZXHS-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571259797 945400131 /nfs/dbraw/zinc/40/01/31/945400131.db2.gz RHVQTENOURMHNB-AEDCBLDQSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571259797 945400137 /nfs/dbraw/zinc/40/01/37/945400137.db2.gz RHVQTENOURMHNB-AEDCBLDQSA-N -1 3 385.428 0.294 20 0 GCADHM CCc1nnc([C@H](C)NC2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001571259935 945403048 /nfs/dbraw/zinc/40/30/48/945403048.db2.gz SHYUTCATOODFEX-BMQDGWLCSA-N -1 3 385.432 0.999 20 0 GCADHM CCc1nnc([C@H](C)NC2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001571259935 945403055 /nfs/dbraw/zinc/40/30/55/945403055.db2.gz SHYUTCATOODFEX-BMQDGWLCSA-N -1 3 385.432 0.999 20 0 GCADHM CCCc1noc(CN2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571259994 945405497 /nfs/dbraw/zinc/40/54/97/945405497.db2.gz VEESRMKHHPUHST-NSHDSACASA-N -1 3 385.432 0.782 20 0 GCADHM CCCc1noc(CN2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571259994 945405504 /nfs/dbraw/zinc/40/55/04/945405504.db2.gz VEESRMKHHPUHST-NSHDSACASA-N -1 3 385.432 0.782 20 0 GCADHM O=C([C@H]1CNC(=O)N1)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571260336 945411375 /nfs/dbraw/zinc/41/13/75/945411375.db2.gz PRZIHBDJTSTZJN-TZMCWYRMSA-N -1 3 385.432 0.126 20 0 GCADHM O=C([C@H]1CNC(=O)N1)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571260336 945411377 /nfs/dbraw/zinc/41/13/77/945411377.db2.gz PRZIHBDJTSTZJN-TZMCWYRMSA-N -1 3 385.432 0.126 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)c1cnn(C)c1 ZINC000820351490 945426000 /nfs/dbraw/zinc/42/60/00/945426000.db2.gz PUPPFNWUVSFOED-LBPRGKRZSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)c1cnn(C)c1 ZINC000820351490 945426006 /nfs/dbraw/zinc/42/60/06/945426006.db2.gz PUPPFNWUVSFOED-LBPRGKRZSA-N -1 3 382.432 0.588 20 0 GCADHM CSc1ccnc(N2CC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571261707 945431065 /nfs/dbraw/zinc/43/10/65/945431065.db2.gz IZJNONZZEGQFPH-JTQLQIEISA-N -1 3 385.457 0.963 20 0 GCADHM CSc1ccnc(N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571261707 945431069 /nfs/dbraw/zinc/43/10/69/945431069.db2.gz IZJNONZZEGQFPH-JTQLQIEISA-N -1 3 385.457 0.963 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCOC2(CN(Cc3ccsc3)C2)C1 ZINC001571262317 945435666 /nfs/dbraw/zinc/43/56/66/945435666.db2.gz OXZKFADPPLMDCR-UHFFFAOYSA-N -1 3 385.453 0.983 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCOC2(CN(Cc3ccsc3)C2)C1 ZINC001571262317 945435672 /nfs/dbraw/zinc/43/56/72/945435672.db2.gz OXZKFADPPLMDCR-UHFFFAOYSA-N -1 3 385.453 0.983 20 0 GCADHM O=C(CNCc1csc(-c2nnn[n-]2)c1)NCC(=O)NCc1ccccc1 ZINC001571262378 945437678 /nfs/dbraw/zinc/43/76/78/945437678.db2.gz QSAQCMBNNUCSCR-UHFFFAOYSA-N -1 3 385.453 0.450 20 0 GCADHM O=C(CNCc1csc(-c2nn[n-]n2)c1)NCC(=O)NCc1ccccc1 ZINC001571262378 945437683 /nfs/dbraw/zinc/43/76/83/945437683.db2.gz QSAQCMBNNUCSCR-UHFFFAOYSA-N -1 3 385.453 0.450 20 0 GCADHM CCc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)s1 ZINC001571262810 945444140 /nfs/dbraw/zinc/44/41/40/945444140.db2.gz YODVQTISMBHDFW-MSRIBSCDSA-N -1 3 385.457 0.469 20 0 GCADHM CCc1nnc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)s1 ZINC001571262810 945444150 /nfs/dbraw/zinc/44/41/50/945444150.db2.gz YODVQTISMBHDFW-MSRIBSCDSA-N -1 3 385.457 0.469 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC2(C1)CCCN(Cc1csnn1)C2 ZINC001571262934 945445882 /nfs/dbraw/zinc/44/58/82/945445882.db2.gz COWZWDUJLJXASI-UHFFFAOYSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC2(C1)CCCN(Cc1csnn1)C2 ZINC001571262934 945445888 /nfs/dbraw/zinc/44/58/88/945445888.db2.gz COWZWDUJLJXASI-UHFFFAOYSA-N -1 3 385.457 0.785 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@H]2CCC[C@@H](C1)N2Cc1nncs1 ZINC001571262991 945447918 /nfs/dbraw/zinc/44/79/18/945447918.db2.gz DZFIENRTUZDDNN-TXEJJXNPSA-N -1 3 385.457 0.925 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@H]2CCC[C@@H](C1)N2Cc1nncs1 ZINC001571262991 945447924 /nfs/dbraw/zinc/44/79/24/945447924.db2.gz DZFIENRTUZDDNN-TXEJJXNPSA-N -1 3 385.457 0.925 20 0 GCADHM CC(C)N(C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820438823 945449446 /nfs/dbraw/zinc/44/94/46/945449446.db2.gz XITAWRXAJQZCLI-NSHDSACASA-N -1 3 378.458 0.933 20 0 GCADHM CC(C)N(C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820438823 945449453 /nfs/dbraw/zinc/44/94/53/945449453.db2.gz XITAWRXAJQZCLI-NSHDSACASA-N -1 3 378.458 0.933 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820446249 945450635 /nfs/dbraw/zinc/45/06/35/945450635.db2.gz TUYIMCXVDQJDON-RISCZKNCSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820446249 945450641 /nfs/dbraw/zinc/45/06/41/945450641.db2.gz TUYIMCXVDQJDON-RISCZKNCSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCOC1CCC1 ZINC000820443994 945451224 /nfs/dbraw/zinc/45/12/24/945451224.db2.gz CUMMLTOXOCXKAP-NSHDSACASA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCOC1CCC1 ZINC000820443994 945451228 /nfs/dbraw/zinc/45/12/28/945451228.db2.gz CUMMLTOXOCXKAP-NSHDSACASA-N -1 3 395.441 0.646 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001571263188 945451730 /nfs/dbraw/zinc/45/17/30/945451730.db2.gz JQZJZHCWXZTMFL-ZIAGYGMSSA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001571263188 945451735 /nfs/dbraw/zinc/45/17/35/945451735.db2.gz JQZJZHCWXZTMFL-ZIAGYGMSSA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)C1(C)C ZINC001571263195 945452033 /nfs/dbraw/zinc/45/20/33/945452033.db2.gz JWNWTLVZZVZWFW-CHWSQXEVSA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)C1(C)C ZINC001571263195 945452038 /nfs/dbraw/zinc/45/20/38/945452038.db2.gz JWNWTLVZZVZWFW-CHWSQXEVSA-N -1 3 385.472 1.000 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCCOC1 ZINC000820447141 945453412 /nfs/dbraw/zinc/45/34/12/945453412.db2.gz YKNMPWINKVEPFW-RYUDHWBXSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCOC1 ZINC000820447141 945453417 /nfs/dbraw/zinc/45/34/17/945453417.db2.gz YKNMPWINKVEPFW-RYUDHWBXSA-N -1 3 394.457 0.076 20 0 GCADHM Cc1nnsc1C(=O)NC[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571263332 945455865 /nfs/dbraw/zinc/45/58/65/945455865.db2.gz NBKFJCGRKVXUKR-NSHDSACASA-N -1 3 385.457 0.986 20 0 GCADHM Cc1nnsc1C(=O)NC[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571263332 945455868 /nfs/dbraw/zinc/45/58/68/945455868.db2.gz NBKFJCGRKVXUKR-NSHDSACASA-N -1 3 385.457 0.986 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC000820467815 945457655 /nfs/dbraw/zinc/45/76/55/945457655.db2.gz MXQUPPVVISILPQ-QMTHXVAHSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC000820467815 945457659 /nfs/dbraw/zinc/45/76/59/945457659.db2.gz MXQUPPVVISILPQ-QMTHXVAHSA-N -1 3 375.385 0.064 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000820469226 945459973 /nfs/dbraw/zinc/45/99/73/945459973.db2.gz YRJPLULMAYYDBJ-BMIGLBTASA-N -1 3 384.396 0.438 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000820469226 945459978 /nfs/dbraw/zinc/45/99/78/945459978.db2.gz YRJPLULMAYYDBJ-BMIGLBTASA-N -1 3 384.396 0.438 20 0 GCADHM Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001571263568 945460874 /nfs/dbraw/zinc/46/08/74/945460874.db2.gz UBHGMMIFHPYNBK-PHIMTYICSA-N -1 3 385.457 0.546 20 0 GCADHM Cn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001571263568 945460881 /nfs/dbraw/zinc/46/08/81/945460881.db2.gz UBHGMMIFHPYNBK-PHIMTYICSA-N -1 3 385.457 0.546 20 0 GCADHM C[C@H](OC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000820497138 945463119 /nfs/dbraw/zinc/46/31/19/945463119.db2.gz PZWYFJCDMQPPJY-SMDDNHRTSA-N -1 3 386.412 0.065 20 0 GCADHM C[C@H](OC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000820497138 945463127 /nfs/dbraw/zinc/46/31/27/945463127.db2.gz PZWYFJCDMQPPJY-SMDDNHRTSA-N -1 3 386.412 0.065 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000820501786 945466143 /nfs/dbraw/zinc/46/61/43/945466143.db2.gz LGGLXNDGMDGCNO-SECBINFHSA-N -1 3 381.352 0.725 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000820501786 945466150 /nfs/dbraw/zinc/46/61/50/945466150.db2.gz LGGLXNDGMDGCNO-SECBINFHSA-N -1 3 381.352 0.725 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)[C@@H]3CCCCN3C)[C@H]2C)n1 ZINC001571264913 945495304 /nfs/dbraw/zinc/49/53/04/945495304.db2.gz AHGNFWQOWWAZJR-IPYPFGDCSA-N -1 3 385.476 0.533 20 0 GCADHM Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nc2)c1Cl ZINC001571264921 945495532 /nfs/dbraw/zinc/49/55/32/945495532.db2.gz APBBRXUGCLMCLQ-QWRGUYRKSA-N -1 3 385.819 0.752 20 0 GCADHM Cn1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nc2)c1Cl ZINC001571264921 945495534 /nfs/dbraw/zinc/49/55/34/945495534.db2.gz APBBRXUGCLMCLQ-QWRGUYRKSA-N -1 3 385.819 0.752 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)NC(=O)NC1=O ZINC000820606779 945496399 /nfs/dbraw/zinc/49/63/99/945496399.db2.gz CTFUCKCQRASVPG-ACJLOTCBSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820606779 945496404 /nfs/dbraw/zinc/49/64/04/945496404.db2.gz CTFUCKCQRASVPG-ACJLOTCBSA-N -1 3 383.412 0.246 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571265013 945496758 /nfs/dbraw/zinc/49/67/58/945496758.db2.gz CJGYZJQQTQDWJA-UMVBOHGHSA-N -1 3 385.476 0.980 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)NC(=O)NC1=O ZINC000820607721 945498739 /nfs/dbraw/zinc/49/87/39/945498739.db2.gz YJYVBDHXATURMR-SCLBCKFNSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@]1([C@H]2CCCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)NC(=O)NC1=O ZINC000820607721 945498745 /nfs/dbraw/zinc/49/87/45/945498745.db2.gz YJYVBDHXATURMR-SCLBCKFNSA-N -1 3 383.412 0.246 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820607353 945499136 /nfs/dbraw/zinc/49/91/36/945499136.db2.gz RLFMOILBIKGKAR-XIKOKIGWSA-N -1 3 399.411 0.082 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571265116 945499445 /nfs/dbraw/zinc/49/94/45/945499445.db2.gz DFCFQXBMWLOJGC-UONOGXRCSA-N -1 3 385.476 0.616 20 0 GCADHM CN1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265116 945499450 /nfs/dbraw/zinc/49/94/50/945499450.db2.gz DFCFQXBMWLOJGC-UONOGXRCSA-N -1 3 385.476 0.616 20 0 GCADHM C[C@@]1([C@H]2CCCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820607352 945499474 /nfs/dbraw/zinc/49/94/74/945499474.db2.gz RLFMOILBIKGKAR-SGTLLEGYSA-N -1 3 399.411 0.082 20 0 GCADHM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC001571265192 945501949 /nfs/dbraw/zinc/50/19/49/945501949.db2.gz GPJBKEVRMBTANK-KGLIPLIRSA-N -1 3 385.476 0.568 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)CN(C)C1CCC1)c1ccnc(-c2nnn[n-]2)n1 ZINC001571265466 945512367 /nfs/dbraw/zinc/51/23/67/945512367.db2.gz GVOXEJZLBHIBRD-CQSZACIVSA-N -1 3 385.476 0.568 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@H]2CN(c3cncc(Cl)n3)C[C@H]2C1 ZINC001571266150 945532114 /nfs/dbraw/zinc/53/21/14/945532114.db2.gz XJZYCXJCLLPEEE-PHIMTYICSA-N -1 3 385.819 0.847 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@H]2CN(c3cncc(Cl)n3)C[C@H]2C1 ZINC001571266150 945532119 /nfs/dbraw/zinc/53/21/19/945532119.db2.gz XJZYCXJCLLPEEE-PHIMTYICSA-N -1 3 385.819 0.847 20 0 GCADHM CN1CCCC[C@H]1C(=O)N1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001571266178 945534828 /nfs/dbraw/zinc/53/48/28/945534828.db2.gz XQSIBLPRAYHQNF-UONOGXRCSA-N -1 3 385.476 0.790 20 0 GCADHM COc1nc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)co1 ZINC001571266947 945557675 /nfs/dbraw/zinc/55/76/75/945557675.db2.gz CXUUNMVXWSVYFX-SCZZXKLOSA-N -1 3 386.372 0.224 20 0 GCADHM COc1nc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)co1 ZINC001571266947 945557677 /nfs/dbraw/zinc/55/76/77/945557677.db2.gz CXUUNMVXWSVYFX-SCZZXKLOSA-N -1 3 386.372 0.224 20 0 GCADHM C[C@@H]1Oc2ccc(C(=O)COC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2NC1=O ZINC000820819776 945561147 /nfs/dbraw/zinc/56/11/47/945561147.db2.gz KOTMTECWQYROMS-QMMMGPOBSA-N -1 3 382.336 0.954 20 0 GCADHM C[C@@H]1Oc2ccc(C(=O)COC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2NC1=O ZINC000820819776 945561153 /nfs/dbraw/zinc/56/11/53/945561153.db2.gz KOTMTECWQYROMS-QMMMGPOBSA-N -1 3 382.336 0.954 20 0 GCADHM COc1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)on1 ZINC001571267127 945563747 /nfs/dbraw/zinc/56/37/47/945563747.db2.gz KEFJQWYMSAMJHO-SCZZXKLOSA-N -1 3 386.372 0.224 20 0 GCADHM COc1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)on1 ZINC001571267127 945563752 /nfs/dbraw/zinc/56/37/52/945563752.db2.gz KEFJQWYMSAMJHO-SCZZXKLOSA-N -1 3 386.372 0.224 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000820838079 945565977 /nfs/dbraw/zinc/56/59/77/945565977.db2.gz PPNJKOLRTRYWDK-JTQLQIEISA-N -1 3 391.819 0.586 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000820838079 945565982 /nfs/dbraw/zinc/56/59/82/945565982.db2.gz PPNJKOLRTRYWDK-JTQLQIEISA-N -1 3 391.819 0.586 20 0 GCADHM Cn1nncc1C(=O)N1CCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571267639 945575662 /nfs/dbraw/zinc/57/56/62/945575662.db2.gz ASDLUGPDPLZYIH-NSHDSACASA-N -1 3 386.395 0.636 20 0 GCADHM Cn1nncc1C(=O)N1CCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571267639 945575666 /nfs/dbraw/zinc/57/56/66/945575666.db2.gz ASDLUGPDPLZYIH-NSHDSACASA-N -1 3 386.395 0.636 20 0 GCADHM C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571267708 945576920 /nfs/dbraw/zinc/57/69/20/945576920.db2.gz CKHHVHCPUJDCKN-GXSJLCMTSA-N -1 3 386.395 0.350 20 0 GCADHM C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571267708 945576931 /nfs/dbraw/zinc/57/69/31/945576931.db2.gz CKHHVHCPUJDCKN-GXSJLCMTSA-N -1 3 386.395 0.350 20 0 GCADHM CCO[C@@H]1COC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571267871 945581004 /nfs/dbraw/zinc/58/10/04/945581004.db2.gz HHOLZIYAJNJEES-NWANDNLSSA-N -1 3 386.412 0.140 20 0 GCADHM CCO[C@@H]1COC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571267871 945581012 /nfs/dbraw/zinc/58/10/12/945581012.db2.gz HHOLZIYAJNJEES-NWANDNLSSA-N -1 3 386.412 0.140 20 0 GCADHM CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@](C)(NC(=O)c3n[nH]cc3F)C2)n1 ZINC001571267846 945581668 /nfs/dbraw/zinc/58/16/68/945581668.db2.gz GQESUOGFZMBWAJ-MRXNPFEDSA-N -1 3 386.395 0.480 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)[nH]1 ZINC001571268033 945585679 /nfs/dbraw/zinc/58/56/79/945585679.db2.gz LRSQGZWBSZLXHJ-OLZOCXBDSA-N -1 3 386.391 0.325 20 0 GCADHM Cc1cc(C)c(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)[nH]1 ZINC001571268033 945585686 /nfs/dbraw/zinc/58/56/86/945585686.db2.gz LRSQGZWBSZLXHJ-OLZOCXBDSA-N -1 3 386.391 0.325 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)n(C)c1=O ZINC001571268045 945586099 /nfs/dbraw/zinc/58/60/99/945586099.db2.gz LYRQOYCLNIBNFS-JTQLQIEISA-N -1 3 386.391 0.052 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)n(C)c1=O ZINC001571268045 945586105 /nfs/dbraw/zinc/58/61/05/945586105.db2.gz LYRQOYCLNIBNFS-JTQLQIEISA-N -1 3 386.391 0.052 20 0 GCADHM CC[C@@H](CO)N1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820908916 945586595 /nfs/dbraw/zinc/58/65/95/945586595.db2.gz RKOMYAOGRAOMSH-HNNXBMFYSA-N -1 3 394.501 0.029 20 0 GCADHM CC[C@@H](CO)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820908916 945586601 /nfs/dbraw/zinc/58/66/01/945586601.db2.gz RKOMYAOGRAOMSH-HNNXBMFYSA-N -1 3 394.501 0.029 20 0 GCADHM CCn1nncc1C(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571268239 945589531 /nfs/dbraw/zinc/58/95/31/945589531.db2.gz OZEAESIWVJLHRE-MRXNPFEDSA-N -1 3 386.395 0.411 20 0 GCADHM CCn1nncc1C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571268239 945589539 /nfs/dbraw/zinc/58/95/39/945589539.db2.gz OZEAESIWVJLHRE-MRXNPFEDSA-N -1 3 386.395 0.411 20 0 GCADHM CC[C@@H](O)CN1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820932963 945591183 /nfs/dbraw/zinc/59/11/83/945591183.db2.gz RPZYEADLPWSJQU-TZMCWYRMSA-N -1 3 391.501 0.422 20 0 GCADHM CCn1ncc(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C)n1 ZINC001571268283 945591239 /nfs/dbraw/zinc/59/12/39/945591239.db2.gz QFOWHVCPDRQJPU-NOZJJQNGSA-N -1 3 386.395 0.267 20 0 GCADHM CCn1ncc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C)n1 ZINC001571268283 945591247 /nfs/dbraw/zinc/59/12/47/945591247.db2.gz QFOWHVCPDRQJPU-NOZJJQNGSA-N -1 3 386.395 0.267 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2cc(F)c[nH]2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571268255 945591481 /nfs/dbraw/zinc/59/14/81/945591481.db2.gz PQWMGPMNZRHIKR-CABZTGNLSA-N -1 3 386.391 0.991 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2cc(F)c[nH]2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571268255 945591491 /nfs/dbraw/zinc/59/14/91/945591491.db2.gz PQWMGPMNZRHIKR-CABZTGNLSA-N -1 3 386.391 0.991 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)CCO1)c1ccn[nH]1 ZINC001571268452 945595897 /nfs/dbraw/zinc/59/58/97/945595897.db2.gz SJFKKHSWTUMHIJ-CYBMUJFWSA-N -1 3 386.391 0.360 20 0 GCADHM C[C@]1(CNc2cccc(F)c2-c2nnn[n-]2)CCN(C(=O)Cn2cnnn2)C1 ZINC001571268879 945605288 /nfs/dbraw/zinc/60/52/88/945605288.db2.gz YDHPZFKUSRWNBJ-MRXNPFEDSA-N -1 3 386.395 0.343 20 0 GCADHM C[C@]1(CNc2cccc(F)c2-c2nn[n-]n2)CCN(C(=O)Cn2cnnn2)C1 ZINC001571268879 945605290 /nfs/dbraw/zinc/60/52/90/945605290.db2.gz YDHPZFKUSRWNBJ-MRXNPFEDSA-N -1 3 386.395 0.343 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2ncn(C)n2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571268868 945605303 /nfs/dbraw/zinc/60/53/03/945605303.db2.gz YAUNVORBQLQCCB-GXSJLCMTSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@H]1CC[C@@H](NC(=O)c2ncn(C)n2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571268868 945605308 /nfs/dbraw/zinc/60/53/08/945605308.db2.gz YAUNVORBQLQCCB-GXSJLCMTSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2ncn(C)n2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571268870 945605516 /nfs/dbraw/zinc/60/55/16/945605516.db2.gz YAUNVORBQLQCCB-MWLCHTKSSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2ncn(C)n2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571268870 945605520 /nfs/dbraw/zinc/60/55/20/945605520.db2.gz YAUNVORBQLQCCB-MWLCHTKSSA-N -1 3 386.395 0.317 20 0 GCADHM CCCC(=O)NCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821008144 945611739 /nfs/dbraw/zinc/61/17/39/945611739.db2.gz HKHWHZZYHZOUOU-UHFFFAOYSA-N -1 3 387.444 0.683 20 0 GCADHM CCCC(=O)NCC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821008144 945611747 /nfs/dbraw/zinc/61/17/47/945611747.db2.gz HKHWHZZYHZOUOU-UHFFFAOYSA-N -1 3 387.444 0.683 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCCC[C@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001571269213 945615021 /nfs/dbraw/zinc/61/50/21/945615021.db2.gz SKNWWKQPBZITHL-WCQYABFASA-N -1 3 386.416 0.553 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCCC[C@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001571269213 945615028 /nfs/dbraw/zinc/61/50/28/945615028.db2.gz SKNWWKQPBZITHL-WCQYABFASA-N -1 3 386.416 0.553 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)c1ccns1 ZINC001571269256 945615505 /nfs/dbraw/zinc/61/55/05/945615505.db2.gz TUDXEFSDDWVIGW-RTCCRHLQSA-N -1 3 386.416 0.970 20 0 GCADHM O=C(NC[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)c1ccns1 ZINC001571269256 945615507 /nfs/dbraw/zinc/61/55/07/945615507.db2.gz TUDXEFSDDWVIGW-RTCCRHLQSA-N -1 3 386.416 0.970 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCCC[C@@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001571269214 945615756 /nfs/dbraw/zinc/61/57/56/945615756.db2.gz SKNWWKQPBZITHL-YPMHNXCESA-N -1 3 386.416 0.553 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCCC[C@@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001571269214 945615761 /nfs/dbraw/zinc/61/57/61/945615761.db2.gz SKNWWKQPBZITHL-YPMHNXCESA-N -1 3 386.416 0.553 20 0 GCADHM Cc1conc1CNC(=O)N1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001571269352 945617137 /nfs/dbraw/zinc/61/71/37/945617137.db2.gz WEKXIVAIDSFDSL-UHFFFAOYSA-N -1 3 386.420 0.237 20 0 GCADHM Cc1conc1CNC(=O)N1CCN(c2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC001571269352 945617142 /nfs/dbraw/zinc/61/71/42/945617142.db2.gz WEKXIVAIDSFDSL-UHFFFAOYSA-N -1 3 386.420 0.237 20 0 GCADHM CSc1ccc(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)cc1-c1nnn[n-]1 ZINC001571269621 945623025 /nfs/dbraw/zinc/62/30/25/945623025.db2.gz AQWYJVZTEDTCCK-JTQLQIEISA-N -1 3 386.441 0.765 20 0 GCADHM CSc1ccc(CNC(=O)[C@H]2CCC3N=NC(=O)N3C2)cc1-c1nn[n-]n1 ZINC001571269621 945623027 /nfs/dbraw/zinc/62/30/27/945623027.db2.gz AQWYJVZTEDTCCK-JTQLQIEISA-N -1 3 386.441 0.765 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)c3c[nH]c(C)cc3=O)C2)c1-c1nnn[n-]1 ZINC001571269672 945623150 /nfs/dbraw/zinc/62/31/50/945623150.db2.gz BYERKKXFMDEEFK-JTQLQIEISA-N -1 3 386.441 0.637 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1cc(C)sn1 ZINC001571269641 945623263 /nfs/dbraw/zinc/62/32/63/945623263.db2.gz BHOZCFONZMOUPY-CHWSQXEVSA-N -1 3 386.441 0.660 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1cc(C)sn1 ZINC001571269641 945623266 /nfs/dbraw/zinc/62/32/66/945623266.db2.gz BHOZCFONZMOUPY-CHWSQXEVSA-N -1 3 386.441 0.660 20 0 GCADHM COc1ncc(C(=O)N(C)C2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001571269875 945625526 /nfs/dbraw/zinc/62/55/26/945625526.db2.gz GDEPTZYDRJLEIR-UHFFFAOYSA-N -1 3 386.441 0.683 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cncs1 ZINC001571269940 945627068 /nfs/dbraw/zinc/62/70/68/945627068.db2.gz IMBYVUOYXKABSS-BXKDBHETSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cncs1 ZINC001571269940 945627075 /nfs/dbraw/zinc/62/70/75/945627075.db2.gz IMBYVUOYXKABSS-BXKDBHETSA-N -1 3 386.441 0.613 20 0 GCADHM Cc1nscc1C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571270015 945629142 /nfs/dbraw/zinc/62/91/42/945629142.db2.gz KOQAMPTZIKRNFL-UHFFFAOYSA-N -1 3 386.441 0.898 20 0 GCADHM Cc1nscc1C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571270015 945629149 /nfs/dbraw/zinc/62/91/49/945629149.db2.gz KOQAMPTZIKRNFL-UHFFFAOYSA-N -1 3 386.441 0.898 20 0 GCADHM Cc1nc(C)c(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)s1 ZINC001571269979 945629735 /nfs/dbraw/zinc/62/97/35/945629735.db2.gz JJMHPVGCURUHGX-NSHDSACASA-N -1 3 386.441 0.913 20 0 GCADHM Cc1nc(C)c(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)s1 ZINC001571269979 945629744 /nfs/dbraw/zinc/62/97/44/945629744.db2.gz JJMHPVGCURUHGX-NSHDSACASA-N -1 3 386.441 0.913 20 0 GCADHM O=C(Cc1cncs1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571270087 945631032 /nfs/dbraw/zinc/63/10/32/945631032.db2.gz MVGXSPRPWWGRLS-UHFFFAOYSA-N -1 3 386.441 0.569 20 0 GCADHM O=C(Cc1cncs1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571270087 945631035 /nfs/dbraw/zinc/63/10/35/945631035.db2.gz MVGXSPRPWWGRLS-UHFFFAOYSA-N -1 3 386.441 0.569 20 0 GCADHM O=C(NCC1CCN(C(=O)c2nccs2)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571270253 945633277 /nfs/dbraw/zinc/63/32/77/945633277.db2.gz OGTMELFLXXSFQT-UHFFFAOYSA-N -1 3 386.441 0.934 20 0 GCADHM O=C(NCC1CCN(C(=O)c2nccs2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571270253 945633280 /nfs/dbraw/zinc/63/32/80/945633280.db2.gz OGTMELFLXXSFQT-UHFFFAOYSA-N -1 3 386.441 0.934 20 0 GCADHM O=C(CCc1cncs1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571270271 945633630 /nfs/dbraw/zinc/63/36/30/945633630.db2.gz OZFZEKMJCONLAP-LLVKDONJSA-N -1 3 386.441 0.615 20 0 GCADHM O=C(CCc1cncs1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571270271 945633638 /nfs/dbraw/zinc/63/36/38/945633638.db2.gz OZFZEKMJCONLAP-LLVKDONJSA-N -1 3 386.441 0.615 20 0 GCADHM CC(C)C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC001571270306 945634678 /nfs/dbraw/zinc/63/46/78/945634678.db2.gz PUXCBQOLAULPLP-INIZCTEOSA-N -1 3 386.456 0.799 20 0 GCADHM CC(C)C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC001571270306 945634683 /nfs/dbraw/zinc/63/46/83/945634683.db2.gz PUXCBQOLAULPLP-INIZCTEOSA-N -1 3 386.456 0.799 20 0 GCADHM Cc1nsc(N[C@H]2CN(C(=O)c3nccnc3N)C[C@@H]2C)c1-c1nnn[n-]1 ZINC001571270318 945635376 /nfs/dbraw/zinc/63/53/76/945635376.db2.gz QDKMHMJIVHGVBC-CBAPKCEASA-N -1 3 386.445 0.576 20 0 GCADHM Cc1ncsc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571270344 945635474 /nfs/dbraw/zinc/63/54/74/945635474.db2.gz QTBHGKCHKQBHRW-PRHODGIISA-N -1 3 386.441 0.850 20 0 GCADHM Cc1ncsc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C 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/nfs/dbraw/zinc/64/86/46/945648646.db2.gz HANMOKJEBJHTGT-CYBMUJFWSA-N -1 3 386.485 0.985 20 0 GCADHM Cc1csc(NC(=O)NC2CCN(S(N)(=O)=O)CC2)c1-c1nnn[n-]1 ZINC001571272183 945655356 /nfs/dbraw/zinc/65/53/56/945655356.db2.gz AJJFUCCMQOICBC-UHFFFAOYSA-N -1 3 386.463 0.026 20 0 GCADHM Cc1csc(NC(=O)NC2CCN(S(N)(=O)=O)CC2)c1-c1nn[n-]n1 ZINC001571272183 945655358 /nfs/dbraw/zinc/65/53/58/945655358.db2.gz AJJFUCCMQOICBC-UHFFFAOYSA-N -1 3 386.463 0.026 20 0 GCADHM CN(C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCCCC1 ZINC001571272257 945658808 /nfs/dbraw/zinc/65/88/08/945658808.db2.gz BWMRXTYJUKRQMM-UHFFFAOYSA-N -1 3 386.460 0.400 20 0 GCADHM CN(C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCCCC1 ZINC001571272257 945658812 /nfs/dbraw/zinc/65/88/12/945658812.db2.gz BWMRXTYJUKRQMM-UHFFFAOYSA-N -1 3 386.460 0.400 20 0 GCADHM CCOC(=O)[C@@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCO1 ZINC000821324971 945670347 /nfs/dbraw/zinc/67/03/47/945670347.db2.gz AFQBYDRPGSHBEJ-ZDUSSCGKSA-N -1 3 385.384 0.681 20 0 GCADHM CCOC(=O)[C@@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCO1 ZINC000821324971 945670351 /nfs/dbraw/zinc/67/03/51/945670351.db2.gz AFQBYDRPGSHBEJ-ZDUSSCGKSA-N -1 3 385.384 0.681 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN([C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001571272891 945673431 /nfs/dbraw/zinc/67/34/31/945673431.db2.gz KDSBEXURDWKZMQ-CQSZACIVSA-N -1 3 386.460 0.350 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN([C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC001571272891 945673441 /nfs/dbraw/zinc/67/34/41/945673441.db2.gz KDSBEXURDWKZMQ-CQSZACIVSA-N -1 3 386.460 0.350 20 0 GCADHM Cc1nc(N[C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)C[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571273391 945686086 /nfs/dbraw/zinc/68/60/86/945686086.db2.gz WUOLJUMTOFANKG-DFBGVHRSSA-N -1 3 386.460 0.160 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CCCn1ccnc1 ZINC000821401339 945689113 /nfs/dbraw/zinc/68/91/13/945689113.db2.gz WIEIFUFZSMWHFO-UHFFFAOYSA-N -1 3 398.427 0.949 20 0 GCADHM 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ZINC001571274262 945694445 /nfs/dbraw/zinc/69/44/45/945694445.db2.gz CWMZUJLEMAYWHA-ZDUSSCGKSA-N -1 3 387.375 0.625 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571274267 945695052 /nfs/dbraw/zinc/69/50/52/945695052.db2.gz DBXXAWRYBMKIGI-SNVBAGLBSA-N -1 3 387.379 0.855 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571274267 945695059 /nfs/dbraw/zinc/69/50/59/945695059.db2.gz DBXXAWRYBMKIGI-SNVBAGLBSA-N -1 3 387.379 0.855 20 0 GCADHM CCS(=O)(=O)CC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821442723 945698241 /nfs/dbraw/zinc/69/82/41/945698241.db2.gz VMCHXNOKNDEQSM-UHFFFAOYSA-N -1 3 394.457 0.201 20 0 GCADHM CCS(=O)(=O)CC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821442723 945698248 /nfs/dbraw/zinc/69/82/48/945698248.db2.gz VMCHXNOKNDEQSM-UHFFFAOYSA-N -1 3 394.457 0.201 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2COCCN2c2ncc(-c3nnn[n-]3)cc2F)co1 ZINC001571274774 945698705 /nfs/dbraw/zinc/69/87/05/945698705.db2.gz KVXXSEXTHNUJAL-ZDUSSCGKSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2COCCN2c2ncc(-c3nn[n-]n3)cc2F)co1 ZINC001571274774 945698712 /nfs/dbraw/zinc/69/87/12/945698712.db2.gz KVXXSEXTHNUJAL-ZDUSSCGKSA-N -1 3 387.375 0.937 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571274609 945699412 /nfs/dbraw/zinc/69/94/12/945699412.db2.gz IUGFPXRLTCWCTI-SNVBAGLBSA-N -1 3 387.379 0.595 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571274609 945699420 /nfs/dbraw/zinc/69/94/20/945699420.db2.gz IUGFPXRLTCWCTI-SNVBAGLBSA-N -1 3 387.379 0.595 20 0 GCADHM COC(=O)c1cn(C2CN(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)C2)nn1 ZINC001571274804 945701207 /nfs/dbraw/zinc/70/12/07/945701207.db2.gz LNLGAKCGDHKPTD-UHFFFAOYSA-N -1 3 387.335 0.473 20 0 GCADHM COC(=O)c1cn(C2CN(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)C2)nn1 ZINC001571274804 945701210 /nfs/dbraw/zinc/70/12/10/945701210.db2.gz LNLGAKCGDHKPTD-UHFFFAOYSA-N -1 3 387.335 0.473 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)CCO1)c1cocn1 ZINC001571275349 945705006 /nfs/dbraw/zinc/70/50/06/945705006.db2.gz SFDGRWAITJBZOT-CYBMUJFWSA-N -1 3 387.375 0.625 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1)c1cocn1 ZINC001571275349 945705011 /nfs/dbraw/zinc/70/50/11/945705011.db2.gz SFDGRWAITJBZOT-CYBMUJFWSA-N -1 3 387.375 0.625 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCO1)c1ccon1 ZINC001571275441 945707257 /nfs/dbraw/zinc/70/72/57/945707257.db2.gz UKDGDCOXNBWQHA-GFCCVEGCSA-N -1 3 387.375 0.625 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CCO1)c1ccon1 ZINC001571275441 945707265 /nfs/dbraw/zinc/70/72/65/945707265.db2.gz UKDGDCOXNBWQHA-GFCCVEGCSA-N -1 3 387.375 0.625 20 0 GCADHM O=C(N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(F)F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571275530 945707476 /nfs/dbraw/zinc/70/74/76/945707476.db2.gz VVHYZTPZQOORDX-DGCLKSJQSA-N -1 3 387.350 0.972 20 0 GCADHM O=C(N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(F)F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571275530 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CC[C@@H]1OCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279081 945768888 /nfs/dbraw/zinc/76/88/88/945768888.db2.gz IJOJILYWKCGASF-KQFUTBAXSA-N -1 3 387.444 0.635 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279081 945768896 /nfs/dbraw/zinc/76/88/96/945768896.db2.gz IJOJILYWKCGASF-KQFUTBAXSA-N -1 3 387.444 0.635 20 0 GCADHM COC1CC(C(=O)N2CCC[C@](CO)(Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571279070 945769072 /nfs/dbraw/zinc/76/90/72/945769072.db2.gz HXNSVXBNHSJXIX-KJBLDROHSA-N -1 3 387.444 0.452 20 0 GCADHM COC1CC(C(=O)N2CCC[C@](CO)(Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571279070 945769077 /nfs/dbraw/zinc/76/90/77/945769077.db2.gz HXNSVXBNHSJXIX-KJBLDROHSA-N -1 3 387.444 0.452 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571279092 945769091 /nfs/dbraw/zinc/76/90/91/945769091.db2.gz IOJAFHLXAHJHOL-GUTXKFCHSA-N -1 3 387.444 0.683 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571279092 945769097 /nfs/dbraw/zinc/76/90/97/945769097.db2.gz IOJAFHLXAHJHOL-GUTXKFCHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@]1(C(=O)N2CCCO[C@H](CNc3ncccc3-c3nnn[n-]3)C2)CCOC1 ZINC001571279102 945769551 /nfs/dbraw/zinc/76/95/51/945769551.db2.gz IUXWFFXLJZKEST-ACJLOTCBSA-N -1 3 387.444 0.718 20 0 GCADHM C[C@]1(C(=O)N2CCCO[C@H](CNc3ncccc3-c3nn[n-]n3)C2)CCOC1 ZINC001571279102 945769565 /nfs/dbraw/zinc/76/95/65/945769565.db2.gz IUXWFFXLJZKEST-ACJLOTCBSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(c1csc(=O)[nH]1)N1CC[C@@H](CCNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571279204 945771627 /nfs/dbraw/zinc/77/16/27/945771627.db2.gz KZSJOJSDYWDXKZ-SECBINFHSA-N -1 3 387.429 0.783 20 0 GCADHM CC[C@H]1CC[C@@H](C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)O1 ZINC001571279197 945771690 /nfs/dbraw/zinc/77/16/90/945771690.db2.gz KXEXYGLMMIBJCV-ZFWWWQNUSA-N -1 3 387.444 0.873 20 0 GCADHM CC[C@H]1CC[C@@H](C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)O1 ZINC001571279197 945771698 /nfs/dbraw/zinc/77/16/98/945771698.db2.gz KXEXYGLMMIBJCV-ZFWWWQNUSA-N -1 3 387.444 0.873 20 0 GCADHM CC[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)O1 ZINC001571279196 945771743 /nfs/dbraw/zinc/77/17/43/945771743.db2.gz KXEXYGLMMIBJCV-UKRRQHHQSA-N -1 3 387.444 0.873 20 0 GCADHM CC[C@@H]1CC[C@H](C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)O1 ZINC001571279196 945771749 /nfs/dbraw/zinc/77/17/49/945771749.db2.gz KXEXYGLMMIBJCV-UKRRQHHQSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H](C[C@@H]1CCCO1)C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571279212 945771793 /nfs/dbraw/zinc/77/17/93/945771793.db2.gz LBMQJCPMKJOOSV-JSGCOSHPSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H](C[C@@H]1CCCO1)C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571279212 945771800 /nfs/dbraw/zinc/77/18/00/945771800.db2.gz LBMQJCPMKJOOSV-JSGCOSHPSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001571279159 945771876 /nfs/dbraw/zinc/77/18/76/945771876.db2.gz KIVSMUHQKRABLZ-KBPBESRZSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(C(=O)CC[C@@H]2CCCO2)C1 ZINC001571279159 945771881 /nfs/dbraw/zinc/77/18/81/945771881.db2.gz KIVSMUHQKRABLZ-KBPBESRZSA-N -1 3 387.444 0.827 20 0 GCADHM CCOC1CC(C(=O)N(C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571279255 945773762 /nfs/dbraw/zinc/77/37/62/945773762.db2.gz MFXZSIHQTIJHLV-QRMWWUJWSA-N -1 3 387.444 0.683 20 0 GCADHM CCOC1CC(C(=O)N(C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571279255 945773768 /nfs/dbraw/zinc/77/37/68/945773768.db2.gz MFXZSIHQTIJHLV-QRMWWUJWSA-N -1 3 387.444 0.683 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571279223 945774149 /nfs/dbraw/zinc/77/41/49/945774149.db2.gz LNUJLLIJGSPHBN-XPKDYRNWSA-N -1 3 387.444 0.398 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571279223 945774162 /nfs/dbraw/zinc/77/41/62/945774162.db2.gz LNUJLLIJGSPHBN-XPKDYRNWSA-N -1 3 387.444 0.398 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2cnn(C)c2)CC1 ZINC000821649847 945775215 /nfs/dbraw/zinc/77/52/15/945775215.db2.gz FFELESVUGQCSLV-MRXNPFEDSA-N -1 3 382.428 0.637 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cnn(C)c2)CC1 ZINC000821649847 945775221 /nfs/dbraw/zinc/77/52/21/945775221.db2.gz FFELESVUGQCSLV-MRXNPFEDSA-N -1 3 382.428 0.637 20 0 GCADHM Cc1nsc(N[C@@H]2C[C@H](C)N(C(=O)c3cn[nH]c(=O)c3)C2)c1-c1nnn[n-]1 ZINC001571279301 945775373 /nfs/dbraw/zinc/77/53/73/945775373.db2.gz NNLJWPPCBNQPRS-OIBJUYFYSA-N -1 3 387.429 0.842 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(C(=O)C2CCC(O)CC2)C1 ZINC001571279294 945775640 /nfs/dbraw/zinc/77/56/40/945775640.db2.gz NKMZRVVBFFYUOW-ZBOXLXRLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(C(=O)C2CCC(O)CC2)C1 ZINC001571279294 945775645 /nfs/dbraw/zinc/77/56/45/945775645.db2.gz NKMZRVVBFFYUOW-ZBOXLXRLSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1NC(=O)C[C@H]1CCOC1 ZINC001571279298 945776188 /nfs/dbraw/zinc/77/61/88/945776188.db2.gz NLDVNUPWBNZPBK-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1NC(=O)C[C@H]1CCOC1 ZINC001571279298 945776194 /nfs/dbraw/zinc/77/61/94/945776194.db2.gz NLDVNUPWBNZPBK-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM COc1ccc(CN2CC(NC(=O)[C@H]3CCCOCC3)C2)cc1-c1nnn[n-]1 ZINC001571279303 945776307 /nfs/dbraw/zinc/77/63/07/945776307.db2.gz UMWGQXQKASSPTI-AWEZNQCLSA-N -1 3 386.456 0.992 20 0 GCADHM COc1ccc(CN2CC(NC(=O)[C@H]3CCCOCC3)C2)cc1-c1nn[n-]n1 ZINC001571279303 945776314 /nfs/dbraw/zinc/77/63/14/945776314.db2.gz UMWGQXQKASSPTI-AWEZNQCLSA-N -1 3 386.456 0.992 20 0 GCADHM CC[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001571279450 945777510 /nfs/dbraw/zinc/77/75/10/945777510.db2.gz ORZUEHDFHYJVFN-XIKOKIGWSA-N -1 3 387.444 0.684 20 0 GCADHM CC[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001571279450 945777513 /nfs/dbraw/zinc/77/75/13/945777513.db2.gz ORZUEHDFHYJVFN-XIKOKIGWSA-N -1 3 387.444 0.684 20 0 GCADHM CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001571279447 945777668 /nfs/dbraw/zinc/77/76/68/945777668.db2.gz ORZUEHDFHYJVFN-KPZWWZAWSA-N -1 3 387.444 0.684 20 0 GCADHM CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001571279447 945777672 /nfs/dbraw/zinc/77/76/72/945777672.db2.gz ORZUEHDFHYJVFN-KPZWWZAWSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571279425 945777825 /nfs/dbraw/zinc/77/78/25/945777825.db2.gz OGCKCQFHHPUJAT-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571279425 945777832 /nfs/dbraw/zinc/77/78/32/945777832.db2.gz OGCKCQFHHPUJAT-SFHVURJKSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571279506 945779573 /nfs/dbraw/zinc/77/95/73/945779573.db2.gz QOAULXSKAVXMSG-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@@H]1CN(C(=O)CC2OCCCO2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571279506 945779580 /nfs/dbraw/zinc/77/95/80/945779580.db2.gz QOAULXSKAVXMSG-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cnns1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571279480 945779707 /nfs/dbraw/zinc/77/97/07/945779707.db2.gz PUNUDEOUALOBGV-SNVBAGLBSA-N -1 3 387.429 0.423 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)c1cnns1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571279480 945779715 /nfs/dbraw/zinc/77/97/15/945779715.db2.gz PUNUDEOUALOBGV-SNVBAGLBSA-N -1 3 387.429 0.423 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 ZINC001571279584 945781288 /nfs/dbraw/zinc/78/12/88/945781288.db2.gz SINDJNNKQNUWNX-OCCSQVGLSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(C(=O)C[C@H]2CCCOC2)C1 ZINC001571279584 945781297 /nfs/dbraw/zinc/78/12/97/945781297.db2.gz SINDJNNKQNUWNX-OCCSQVGLSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)CC1OCCCO1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571279598 945781526 /nfs/dbraw/zinc/78/15/26/945781526.db2.gz SPMDFJGWVORSBQ-CQSZACIVSA-N -1 3 387.444 0.842 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)CC1OCCCO1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571279598 945781538 /nfs/dbraw/zinc/78/15/38/945781538.db2.gz SPMDFJGWVORSBQ-CQSZACIVSA-N -1 3 387.444 0.842 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001571279587 945781689 /nfs/dbraw/zinc/78/16/89/945781689.db2.gz SKDJBNQSDQWWNU-HAQNSBGRSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001571279587 945781699 /nfs/dbraw/zinc/78/16/99/945781699.db2.gz SKDJBNQSDQWWNU-HAQNSBGRSA-N -1 3 387.444 0.636 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)[C@H]1CCCOCC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571279544 945782110 /nfs/dbraw/zinc/78/21/10/945782110.db2.gz RPGDNELZLAHUJM-JSGCOSHPSA-N -1 3 387.444 0.684 20 0 GCADHM CN(C[C@@H]1CCN1C(=O)[C@H]1CCCOCC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571279544 945782118 /nfs/dbraw/zinc/78/21/18/945782118.db2.gz RPGDNELZLAHUJM-JSGCOSHPSA-N -1 3 387.444 0.684 20 0 GCADHM COc1ccc(CN2CCN(C(=O)[C@@H]3CO[C@H](C)C3)CC2)cc1-c1nnn[n-]1 ZINC001571279630 945784802 /nfs/dbraw/zinc/78/48/02/945784802.db2.gz XCXFMNGJKNNWIT-HIFRSBDPSA-N -1 3 386.456 0.945 20 0 GCADHM COc1ccc(CN2CCN(C(=O)[C@@H]3CO[C@H](C)C3)CC2)cc1-c1nn[n-]n1 ZINC001571279630 945784810 /nfs/dbraw/zinc/78/48/10/945784810.db2.gz XCXFMNGJKNNWIT-HIFRSBDPSA-N -1 3 386.456 0.945 20 0 GCADHM O=C(NC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnns1 ZINC001571279851 945787856 /nfs/dbraw/zinc/78/78/56/945787856.db2.gz 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3 387.444 0.413 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)[C@H]2CCCN(C(=O)[C@H]3COCCO3)C2)n1 ZINC001571282058 945826083 /nfs/dbraw/zinc/82/60/83/945826083.db2.gz CRPHDUKOWPWNRH-DZGCQCFKSA-N -1 3 387.444 0.413 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@@H]1CCCCO1 ZINC001571282342 945837767 /nfs/dbraw/zinc/83/77/67/945837767.db2.gz HVHDVAIBHQFFCP-HNNXBMFYSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@@H]1CCCCO1 ZINC001571282342 945837775 /nfs/dbraw/zinc/83/77/75/945837775.db2.gz HVHDVAIBHQFFCP-HNNXBMFYSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@H]1CCCCO1 ZINC001571282343 945840471 /nfs/dbraw/zinc/84/04/71/945840471.db2.gz HVHDVAIBHQFFCP-OAHLLOKOSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@H]1CCCCO1 ZINC001571282343 945840491 /nfs/dbraw/zinc/84/04/91/945840491.db2.gz HVHDVAIBHQFFCP-OAHLLOKOSA-N -1 3 387.444 0.732 20 0 GCADHM 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O=C(N[C@H]1CCCCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001571282524 945851907 /nfs/dbraw/zinc/85/19/07/945851907.db2.gz JMJSWPFDSLUVJG-DZGCQCFKSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001571282524 945851924 /nfs/dbraw/zinc/85/19/24/945851924.db2.gz JMJSWPFDSLUVJG-DZGCQCFKSA-N -1 3 387.444 0.875 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)c1cccc(C)c1 ZINC000821755439 945852605 /nfs/dbraw/zinc/85/26/05/945852605.db2.gz GKGHCKTYUDKWKU-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)c1cccc(C)c1 ZINC000821755439 945852615 /nfs/dbraw/zinc/85/26/15/945852615.db2.gz GKGHCKTYUDKWKU-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM O=C([C@H]1CCCCO1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571282612 945852936 /nfs/dbraw/zinc/85/29/36/945852936.db2.gz LVNZWWRWVJSMCY-CQSZACIVSA-N -1 3 387.444 0.596 20 0 GCADHM O=C([C@H]1CCCCO1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571282612 945852948 /nfs/dbraw/zinc/85/29/48/945852948.db2.gz LVNZWWRWVJSMCY-CQSZACIVSA-N -1 3 387.444 0.596 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001573452655 945853620 /nfs/dbraw/zinc/85/36/20/945853620.db2.gz GSDTWLGWGSUTHM-BZNIZROVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573452655 945853629 /nfs/dbraw/zinc/85/36/29/945853629.db2.gz GSDTWLGWGSUTHM-BZNIZROVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573453158 945855045 /nfs/dbraw/zinc/85/50/45/945855045.db2.gz JBPQHKNKDNLCQN-KPZWWZAWSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573453158 945855066 /nfs/dbraw/zinc/85/50/66/945855066.db2.gz JBPQHKNKDNLCQN-KPZWWZAWSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573453162 945855195 /nfs/dbraw/zinc/85/51/95/945855195.db2.gz JBPQHKNKDNLCQN-SGTLLEGYSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573453162 945855208 /nfs/dbraw/zinc/85/52/08/945855208.db2.gz JBPQHKNKDNLCQN-SGTLLEGYSA-N -1 3 388.476 0.977 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](OC)C(C)(C)C ZINC000821757145 945855489 /nfs/dbraw/zinc/85/54/89/945855489.db2.gz VTKMHBGBBCBISR-CYBMUJFWSA-N -1 3 376.417 0.991 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](OC)C(C)(C)C ZINC000821757145 945855504 /nfs/dbraw/zinc/85/55/04/945855504.db2.gz VTKMHBGBBCBISR-CYBMUJFWSA-N -1 3 376.417 0.991 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC001573453168 945856104 /nfs/dbraw/zinc/85/61/04/945856104.db2.gz JBZSUBCPKQMMIT-QGZVFWFLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC001573453168 945856120 /nfs/dbraw/zinc/85/61/20/945856120.db2.gz JBZSUBCPKQMMIT-QGZVFWFLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)C(C)C ZINC001573453258 945858554 /nfs/dbraw/zinc/85/85/54/945858554.db2.gz KFDBRMIIEYGJHR-IBGZPJMESA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)C(C)C ZINC001573453258 945858567 /nfs/dbraw/zinc/85/85/67/945858567.db2.gz KFDBRMIIEYGJHR-IBGZPJMESA-N -1 3 385.472 0.718 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCCO2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282785 945861477 /nfs/dbraw/zinc/86/14/77/945861477.db2.gz QWYHIDDWCIOQNB-XBFCOCLRSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CCCCO2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282785 945861489 /nfs/dbraw/zinc/86/14/89/945861489.db2.gz QWYHIDDWCIOQNB-XBFCOCLRSA-N -1 3 387.444 0.873 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573453635 945861736 /nfs/dbraw/zinc/86/17/36/945861736.db2.gz NNUUWCQGQKXWSI-QGHHPUGFSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573453635 945861751 /nfs/dbraw/zinc/86/17/51/945861751.db2.gz NNUUWCQGQKXWSI-QGHHPUGFSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1)C(C)C ZINC001573453531 945862469 /nfs/dbraw/zinc/86/24/69/945862469.db2.gz LQOHKAVSXMTLKW-KRWDZBQOSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1)C(C)C ZINC001573453531 945862480 /nfs/dbraw/zinc/86/24/80/945862480.db2.gz LQOHKAVSXMTLKW-KRWDZBQOSA-N -1 3 386.460 0.873 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571282844 945864593 /nfs/dbraw/zinc/86/45/93/945864593.db2.gz SQGVYWCUBNDCDD-ZIAGYGMSSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(CO[C@@H]1CCOC1)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571282844 945864603 /nfs/dbraw/zinc/86/46/03/945864603.db2.gz SQGVYWCUBNDCDD-ZIAGYGMSSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(NC1CCC(NC(=O)[C@@H]2CCCCO2)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282877 945864630 /nfs/dbraw/zinc/86/46/30/945864630.db2.gz UCEFONAAMZMCIQ-PIMMBPRGSA-N -1 3 387.444 0.921 20 0 GCADHM O=C(NC1CCC(NC(=O)[C@@H]2CCCCO2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282877 945864636 /nfs/dbraw/zinc/86/46/36/945864636.db2.gz UCEFONAAMZMCIQ-PIMMBPRGSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1)C(C)C ZINC001573453744 945864816 /nfs/dbraw/zinc/86/48/16/945864816.db2.gz OQXATLSPQNAAQR-LJQANCHMSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1)C(C)C ZINC001573453744 945864830 /nfs/dbraw/zinc/86/48/30/945864830.db2.gz OQXATLSPQNAAQR-LJQANCHMSA-N -1 3 385.472 0.718 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001573453765 945866147 /nfs/dbraw/zinc/86/61/47/945866147.db2.gz PNPPQAXGCMJMFC-MEDUHNTESA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573453765 945866159 /nfs/dbraw/zinc/86/61/59/945866159.db2.gz PNPPQAXGCMJMFC-MEDUHNTESA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573454310 945876864 /nfs/dbraw/zinc/87/68/64/945876864.db2.gz XGBPMLQNACISDL-GOSISDBHSA-N -1 3 388.476 0.707 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573454310 945876874 /nfs/dbraw/zinc/87/68/74/945876874.db2.gz XGBPMLQNACISDL-GOSISDBHSA-N -1 3 388.476 0.707 20 0 GCADHM COc1ccc(NC(=O)NC(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821831497 945879448 /nfs/dbraw/zinc/87/94/48/945879448.db2.gz BCHWRZPBPHSYFT-UHFFFAOYSA-N -1 3 385.340 0.709 20 0 GCADHM COc1ccc(NC(=O)NC(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821831497 945879465 /nfs/dbraw/zinc/87/94/65/945879465.db2.gz BCHWRZPBPHSYFT-UHFFFAOYSA-N -1 3 385.340 0.709 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573455291 945881692 /nfs/dbraw/zinc/88/16/92/945881692.db2.gz BZIDWPNDFIPFMJ-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573455291 945881704 /nfs/dbraw/zinc/88/17/04/945881704.db2.gz BZIDWPNDFIPFMJ-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CC(Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573455856 945888781 /nfs/dbraw/zinc/88/87/81/945888781.db2.gz HLFKRQCEGGNIQY-UHFFFAOYSA-N -1 3 386.460 0.886 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)C1CC(Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573455856 945888791 /nfs/dbraw/zinc/88/87/91/945888791.db2.gz HLFKRQCEGGNIQY-UHFFFAOYSA-N -1 3 386.460 0.886 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573456557 945893551 /nfs/dbraw/zinc/89/35/51/945893551.db2.gz LPACJBOFYBIMRO-UHFFFAOYSA-N -1 3 377.424 0.815 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573456557 945893564 /nfs/dbraw/zinc/89/35/64/945893564.db2.gz LPACJBOFYBIMRO-UHFFFAOYSA-N -1 3 377.424 0.815 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571283896 945893818 /nfs/dbraw/zinc/89/38/18/945893818.db2.gz KNDIQWZAWLMLRN-RNCFNFMXSA-N -1 3 387.835 0.964 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cc[nH]n2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571283896 945893831 /nfs/dbraw/zinc/89/38/31/945893831.db2.gz KNDIQWZAWLMLRN-RNCFNFMXSA-N -1 3 387.835 0.964 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573456555 945893945 /nfs/dbraw/zinc/89/39/45/945893945.db2.gz LNKFLMSGOYPUQJ-CYBMUJFWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573456555 945893956 /nfs/dbraw/zinc/89/39/56/945893956.db2.gz LNKFLMSGOYPUQJ-CYBMUJFWSA-N -1 3 386.460 0.745 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3cc(Cl)c(=O)[nH]n3)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571284166 945898151 /nfs/dbraw/zinc/89/81/51/945898151.db2.gz MAXUYAVYIVXKLW-JDICNCQASA-N -1 3 387.791 0.208 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(C(=O)c3cn(C)nc3Cl)CC2)n1 ZINC001571284369 945899810 /nfs/dbraw/zinc/89/98/10/945899810.db2.gz OSIMSRWJKVAQIX-UHFFFAOYSA-N -1 3 387.835 0.919 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(C(=O)c3cn(C)nc3Cl)CC2)n1 ZINC001571284369 945899829 /nfs/dbraw/zinc/89/98/29/945899829.db2.gz OSIMSRWJKVAQIX-UHFFFAOYSA-N -1 3 387.835 0.919 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C(C)(C)C1 ZINC001573456909 945900512 /nfs/dbraw/zinc/90/05/12/945900512.db2.gz PWZAZEQXHCTIOD-CYBMUJFWSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C(C)(C)C1 ZINC001573456909 945900516 /nfs/dbraw/zinc/90/05/16/945900516.db2.gz PWZAZEQXHCTIOD-CYBMUJFWSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1)C(C)C ZINC001573457217 945901975 /nfs/dbraw/zinc/90/19/75/945901975.db2.gz UFGRDGAZCCIHLL-QGZVFWFLSA-N -1 3 383.416 0.937 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1)C(C)C ZINC001573457217 945901982 /nfs/dbraw/zinc/90/19/82/945901982.db2.gz UFGRDGAZCCIHLL-QGZVFWFLSA-N -1 3 383.416 0.937 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573457036 945903722 /nfs/dbraw/zinc/90/37/22/945903722.db2.gz SOYDGAKCKMJABU-LBPRGKRZSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573457036 945903730 /nfs/dbraw/zinc/90/37/30/945903730.db2.gz SOYDGAKCKMJABU-LBPRGKRZSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001573457816 945908584 /nfs/dbraw/zinc/90/85/84/945908584.db2.gz ZYZOJKMUNLXITA-OKILXGFUSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001573457816 945908593 /nfs/dbraw/zinc/90/85/93/945908593.db2.gz ZYZOJKMUNLXITA-OKILXGFUSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573458959 945911040 /nfs/dbraw/zinc/91/10/40/945911040.db2.gz BIDLOZVIABRYHC-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573458959 945911044 /nfs/dbraw/zinc/91/10/44/945911044.db2.gz BIDLOZVIABRYHC-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CCN1C[C@@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)CC1=O ZINC001571285324 945912623 /nfs/dbraw/zinc/91/26/23/945912623.db2.gz BALZVSKBAXITQC-NWDGAFQWSA-N -1 3 388.407 0.282 20 0 GCADHM CCN1C[C@@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)CC1=O ZINC001571285324 945912629 /nfs/dbraw/zinc/91/26/29/945912629.db2.gz BALZVSKBAXITQC-NWDGAFQWSA-N -1 3 388.407 0.282 20 0 GCADHM O=S(=O)(NC[C@H](CO)[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571285320 945912675 /nfs/dbraw/zinc/91/26/75/945912675.db2.gz BAKWFHPPTWYFPC-NXEZZACHSA-N -1 3 387.849 0.443 20 0 GCADHM O=S(=O)(NC[C@H](CO)[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571285320 945912680 /nfs/dbraw/zinc/91/26/80/945912680.db2.gz BAKWFHPPTWYFPC-NXEZZACHSA-N -1 3 387.849 0.443 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573460880 945919442 /nfs/dbraw/zinc/91/94/42/945919442.db2.gz MWFMXNFJPCNJQH-GFCCVEGCSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573460880 945919447 /nfs/dbraw/zinc/91/94/47/945919447.db2.gz MWFMXNFJPCNJQH-GFCCVEGCSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573461582 945922374 /nfs/dbraw/zinc/92/23/74/945922374.db2.gz PRXXHPJMEBUCSL-UHFFFAOYSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573461582 945922384 /nfs/dbraw/zinc/92/23/84/945922384.db2.gz PRXXHPJMEBUCSL-UHFFFAOYSA-N -1 3 390.423 0.718 20 0 GCADHM O=C(N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)C1=CCOCC1 ZINC001571285617 945922644 /nfs/dbraw/zinc/92/26/44/945922644.db2.gz JZWPFXGLQJAAPA-UKRRQHHQSA-N -1 3 388.403 0.408 20 0 GCADHM O=C(N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)C1=CCOCC1 ZINC001571285617 945922649 /nfs/dbraw/zinc/92/26/49/945922649.db2.gz JZWPFXGLQJAAPA-UKRRQHHQSA-N -1 3 388.403 0.408 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571285614 945923046 /nfs/dbraw/zinc/92/30/46/945923046.db2.gz JXIGEXJUBDFJGS-NSHDSACASA-N -1 3 388.363 0.650 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571285614 945923051 /nfs/dbraw/zinc/92/30/51/945923051.db2.gz JXIGEXJUBDFJGS-NSHDSACASA-N -1 3 388.363 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573461881 945925693 /nfs/dbraw/zinc/92/56/93/945925693.db2.gz SPOSCHWPLRZNJG-LLVKDONJSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573461881 945925702 /nfs/dbraw/zinc/92/57/02/945925702.db2.gz SPOSCHWPLRZNJG-LLVKDONJSA-N -1 3 376.396 0.328 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573461971 945928054 /nfs/dbraw/zinc/92/80/54/945928054.db2.gz USYPKIULNHXAJJ-CABCVRRESA-N -1 3 398.471 0.461 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573461971 945928066 /nfs/dbraw/zinc/92/80/66/945928066.db2.gz USYPKIULNHXAJJ-CABCVRRESA-N -1 3 398.471 0.461 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001571285869 945929848 /nfs/dbraw/zinc/92/98/48/945929848.db2.gz PXQAUAHURXIWLI-NEPJUHHUSA-N -1 3 388.363 0.067 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001571285869 945929858 /nfs/dbraw/zinc/92/98/58/945929858.db2.gz PXQAUAHURXIWLI-NEPJUHHUSA-N -1 3 388.363 0.067 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573462094 945930239 /nfs/dbraw/zinc/93/02/39/945930239.db2.gz ZLEORDDBDONCCW-KGLIPLIRSA-N -1 3 398.471 0.461 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573462094 945930244 /nfs/dbraw/zinc/93/02/44/945930244.db2.gz ZLEORDDBDONCCW-KGLIPLIRSA-N -1 3 398.471 0.461 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285879 945931185 /nfs/dbraw/zinc/93/11/85/945931185.db2.gz QAEKCMYKZQUJCU-QWHCGFSZSA-N -1 3 388.403 0.650 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2cn(C)nc2OC)c(-c2nnn[n-]2)cn1CC ZINC001571285954 945932805 /nfs/dbraw/zinc/93/28/05/945932805.db2.gz SJXSPBRIKYAXGY-UHFFFAOYSA-N -1 3 388.388 0.859 20 0 GCADHM CCOC(=O)c1c(NC(=O)c2cn(C)nc2OC)c(-c2nn[n-]n2)cn1CC ZINC001571285954 945932810 /nfs/dbraw/zinc/93/28/10/945932810.db2.gz SJXSPBRIKYAXGY-UHFFFAOYSA-N -1 3 388.388 0.859 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573462129 945932923 /nfs/dbraw/zinc/93/29/23/945932923.db2.gz AIDYBQZOEZUVKX-LBPRGKRZSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573462129 945932929 /nfs/dbraw/zinc/93/29/29/945932929.db2.gz AIDYBQZOEZUVKX-LBPRGKRZSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573462212 945934266 /nfs/dbraw/zinc/93/42/66/945934266.db2.gz CKVNHGWSJOSHLU-NSHDSACASA-N -1 3 392.489 0.853 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573462269 945936008 /nfs/dbraw/zinc/93/60/08/945936008.db2.gz FIZMNYCIIMTXDJ-UHFFFAOYSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573462269 945936014 /nfs/dbraw/zinc/93/60/14/945936014.db2.gz FIZMNYCIIMTXDJ-UHFFFAOYSA-N -1 3 375.408 0.221 20 0 GCADHM CN(C(=O)C1=COCCO1)[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571286111 945936894 /nfs/dbraw/zinc/93/68/94/945936894.db2.gz YDCCPPXKVVDVPW-CYBMUJFWSA-N -1 3 388.403 0.927 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573462343 945938114 /nfs/dbraw/zinc/93/81/14/945938114.db2.gz GWQAPGFTPCEMLR-LLVKDONJSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573462343 945938124 /nfs/dbraw/zinc/93/81/24/945938124.db2.gz GWQAPGFTPCEMLR-LLVKDONJSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H](C)C1 ZINC001573462399 945938857 /nfs/dbraw/zinc/93/88/57/945938857.db2.gz IEUSWTNVFVHNNZ-AAEUAGOBSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H](C)C1 ZINC001573462399 945938862 /nfs/dbraw/zinc/93/88/62/945938862.db2.gz IEUSWTNVFVHNNZ-AAEUAGOBSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573462419 945939689 /nfs/dbraw/zinc/93/96/89/945939689.db2.gz INPBPXPOSOLDQM-ZDUSSCGKSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573462419 945939699 /nfs/dbraw/zinc/93/96/99/945939699.db2.gz INPBPXPOSOLDQM-ZDUSSCGKSA-N -1 3 389.435 0.611 20 0 GCADHM C[C@@H]1CN(C(=O)c2csc(=O)[nH]2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571286224 945940149 /nfs/dbraw/zinc/94/01/49/945940149.db2.gz BMIOEUXPUVHNFI-GMSGAONNSA-N -1 3 388.413 0.247 20 0 GCADHM CCOC(=O)[C@H](NC(=O)c1sccc1-c1nnn[n-]1)[C@H](O)c1cccnc1 ZINC001571286316 945941858 /nfs/dbraw/zinc/94/18/58/945941858.db2.gz DLRMMBWSUZLYHK-VXGBXAGGSA-N -1 3 388.409 0.718 20 0 GCADHM CCOC(=O)[C@H](NC(=O)c1sccc1-c1nn[n-]n1)[C@H](O)c1cccnc1 ZINC001571286316 945941870 /nfs/dbraw/zinc/94/18/70/945941870.db2.gz DLRMMBWSUZLYHK-VXGBXAGGSA-N -1 3 388.409 0.718 20 0 GCADHM CCOC(=O)[C@]1(CNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCCOC1 ZINC001571286387 945944433 /nfs/dbraw/zinc/94/44/33/945944433.db2.gz GMKQBTKLPBSFFL-SFHVURJKSA-N -1 3 388.428 0.755 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573462678 945944682 /nfs/dbraw/zinc/94/46/82/945944682.db2.gz MCUQKDVWAUCWKQ-AWEZNQCLSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573462678 945944693 /nfs/dbraw/zinc/94/46/93/945944693.db2.gz MCUQKDVWAUCWKQ-AWEZNQCLSA-N -1 3 389.435 0.611 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571286469 945948076 /nfs/dbraw/zinc/94/80/76/945948076.db2.gz ITAMJTKJHLVUAP-JQWIXIFHSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571286469 945948080 /nfs/dbraw/zinc/94/80/80/945948080.db2.gz ITAMJTKJHLVUAP-JQWIXIFHSA-N -1 3 388.407 0.012 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001573463160 945951146 /nfs/dbraw/zinc/95/11/46/945951146.db2.gz RTDJLZLWAHSHGV-RISCZKNCSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001573463160 945951151 /nfs/dbraw/zinc/95/11/51/945951151.db2.gz RTDJLZLWAHSHGV-RISCZKNCSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573463180 945951679 /nfs/dbraw/zinc/95/16/79/945951679.db2.gz SISBLZGSQZQYAF-AWEZNQCLSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573463180 945951692 /nfs/dbraw/zinc/95/16/92/945951692.db2.gz SISBLZGSQZQYAF-AWEZNQCLSA-N -1 3 389.435 0.611 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N[C@H]1C[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571286627 945952825 /nfs/dbraw/zinc/95/28/25/945952825.db2.gz MYKUGQDDJCXZBC-CKYFFXLPSA-N -1 3 388.407 0.234 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N[C@H]1C[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571286627 945952832 /nfs/dbraw/zinc/95/28/32/945952832.db2.gz MYKUGQDDJCXZBC-CKYFFXLPSA-N -1 3 388.407 0.234 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571286591 945953250 /nfs/dbraw/zinc/95/32/50/945953250.db2.gz LSSDLTWKDJICFH-JQWIXIFHSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(C[C@@H]1CCC(=O)NC1)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571286591 945953256 /nfs/dbraw/zinc/95/32/56/945953256.db2.gz LSSDLTWKDJICFH-JQWIXIFHSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(CN1CCCC1=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571286593 945953585 /nfs/dbraw/zinc/95/35/85/945953585.db2.gz LUNJPHMVAAKKDU-UHFFFAOYSA-N 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O=C(NC1CCN(C(=O)c2csc(=O)[nH]2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571286682 945956124 /nfs/dbraw/zinc/95/61/24/945956124.db2.gz ORAQGPKTBXTIFZ-UHFFFAOYSA-N -1 3 388.413 0.392 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573463562 945959095 /nfs/dbraw/zinc/95/90/95/945959095.db2.gz YOWPWMCCOYPPIV-ZDUSSCGKSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573463562 945959099 /nfs/dbraw/zinc/95/90/99/945959099.db2.gz YOWPWMCCOYPPIV-ZDUSSCGKSA-N -1 3 392.439 0.868 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCNC(=O)C1 ZINC001571286860 945959446 /nfs/dbraw/zinc/95/94/46/945959446.db2.gz UCBHBYDPDPCMFL-PWSUYJOCSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCNC(=O)C1 ZINC001571286860 945959453 /nfs/dbraw/zinc/95/94/53/945959453.db2.gz UCBHBYDPDPCMFL-PWSUYJOCSA-N -1 3 388.407 0.012 20 0 GCADHM Cn1c(C(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)ccc1-c1nnn[n-]1 ZINC001571286834 945960307 /nfs/dbraw/zinc/96/03/07/945960307.db2.gz SPXNDMNPTRZWAI-VOJFVSQTSA-N -1 3 388.428 0.636 20 0 GCADHM Cn1c(C(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)ccc1-c1nn[n-]n1 ZINC001571286834 945960311 /nfs/dbraw/zinc/96/03/11/945960311.db2.gz SPXNDMNPTRZWAI-VOJFVSQTSA-N -1 3 388.428 0.636 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571286940 945962895 /nfs/dbraw/zinc/96/28/95/945962895.db2.gz WIGIEWCBNPGHOV-MFKMUULPSA-N -1 3 388.407 0.244 20 0 GCADHM NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571286940 945962896 /nfs/dbraw/zinc/96/28/96/945962896.db2.gz WIGIEWCBNPGHOV-MFKMUULPSA-N -1 3 388.407 0.244 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)[C@@H]1CCNC(=O)C1 ZINC001571287033 945964592 /nfs/dbraw/zinc/96/45/92/945964592.db2.gz YMNFBEBRRGZCIF-ZYHUDNBSSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)[C@@H]1CCNC(=O)C1 ZINC001571287033 945964603 /nfs/dbraw/zinc/96/46/03/945964603.db2.gz YMNFBEBRRGZCIF-ZYHUDNBSSA-N -1 3 388.407 0.012 20 0 GCADHM CC(C)(C)OC(=O)N1CCc2cc(-c3nnn[n-]3)ccc2[C@H]1C(=O)NCCO ZINC001571286980 945965650 /nfs/dbraw/zinc/96/56/50/945965650.db2.gz XCWCWONIYGLTLC-AWEZNQCLSA-N -1 3 388.428 0.810 20 0 GCADHM CC(C)(C)OC(=O)N1CCc2cc(-c3nn[n-]n3)ccc2[C@H]1C(=O)NCCO ZINC001571286980 945965658 /nfs/dbraw/zinc/96/56/58/945965658.db2.gz XCWCWONIYGLTLC-AWEZNQCLSA-N -1 3 388.428 0.810 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)[C@H]1CCNC(=O)C1 ZINC001571287032 945965883 /nfs/dbraw/zinc/96/58/83/945965883.db2.gz YMNFBEBRRGZCIF-CMPLNLGQSA-N -1 3 388.407 0.012 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)[C@H]1CCNC(=O)C1 ZINC001571287032 945965895 /nfs/dbraw/zinc/96/58/95/945965895.db2.gz YMNFBEBRRGZCIF-CMPLNLGQSA-N -1 3 388.407 0.012 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573464800 945969879 /nfs/dbraw/zinc/96/98/79/945969879.db2.gz OPQRVIGLVNYGHN-CQSZACIVSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573464800 945969895 /nfs/dbraw/zinc/96/98/95/945969895.db2.gz OPQRVIGLVNYGHN-CQSZACIVSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573465213 945971744 /nfs/dbraw/zinc/97/17/44/945971744.db2.gz VLLPFYZEVFTMFE-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573465213 945971752 /nfs/dbraw/zinc/97/17/52/945971752.db2.gz VLLPFYZEVFTMFE-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573465214 945971864 /nfs/dbraw/zinc/97/18/64/945971864.db2.gz VLLPFYZEVFTMFE-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573465214 945971872 /nfs/dbraw/zinc/97/18/72/945971872.db2.gz VLLPFYZEVFTMFE-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573465215 945971978 /nfs/dbraw/zinc/97/19/78/945971978.db2.gz VMVRQQAPQFSDIL-UHFFFAOYSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573465215 945971984 /nfs/dbraw/zinc/97/19/84/945971984.db2.gz VMVRQQAPQFSDIL-UHFFFAOYSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573465304 945973674 /nfs/dbraw/zinc/97/36/74/945973674.db2.gz XTYRXDWAJQVKDX-LLVKDONJSA-N -1 3 377.474 0.533 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573465304 945973681 /nfs/dbraw/zinc/97/36/81/945973681.db2.gz XTYRXDWAJQVKDX-LLVKDONJSA-N -1 3 377.474 0.533 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC/C=C\CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573465491 945975184 /nfs/dbraw/zinc/97/51/84/945975184.db2.gz ZERHBUGBWBBSGX-PLNGDYQASA-N -1 3 376.396 0.400 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC/C=C\CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573465491 945975193 /nfs/dbraw/zinc/97/51/93/945975193.db2.gz ZERHBUGBWBBSGX-PLNGDYQASA-N -1 3 376.396 0.400 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573467401 945980058 /nfs/dbraw/zinc/98/00/58/945980058.db2.gz DGZATEIPXJNIGS-LLVKDONJSA-N -1 3 390.448 0.028 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573467401 945980067 /nfs/dbraw/zinc/98/00/67/945980067.db2.gz DGZATEIPXJNIGS-LLVKDONJSA-N -1 3 390.448 0.028 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573467642 945984461 /nfs/dbraw/zinc/98/44/61/945984461.db2.gz GVYJOPNKPKWIJA-FZMZJTMJSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573467642 945984466 /nfs/dbraw/zinc/98/44/66/945984466.db2.gz GVYJOPNKPKWIJA-FZMZJTMJSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573467757 945984775 /nfs/dbraw/zinc/98/47/75/945984775.db2.gz HHFFUYBJBUWZAI-CYBMUJFWSA-N -1 3 388.476 0.768 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573467757 945984781 /nfs/dbraw/zinc/98/47/81/945984781.db2.gz HHFFUYBJBUWZAI-CYBMUJFWSA-N -1 3 388.476 0.768 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573467831 945987192 /nfs/dbraw/zinc/98/71/92/945987192.db2.gz JAUIZTOOEACJTO-SNVBAGLBSA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573467831 945987196 /nfs/dbraw/zinc/98/71/96/945987196.db2.gz JAUIZTOOEACJTO-SNVBAGLBSA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573467998 945989599 /nfs/dbraw/zinc/98/95/99/945989599.db2.gz KEBJFLLOXPCDFI-LBPRGKRZSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573467998 945989605 /nfs/dbraw/zinc/98/96/05/945989605.db2.gz KEBJFLLOXPCDFI-LBPRGKRZSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573468161 945991180 /nfs/dbraw/zinc/99/11/80/945991180.db2.gz LHYYLXSSXQFUKR-SNVBAGLBSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573468374 945993033 /nfs/dbraw/zinc/99/30/33/945993033.db2.gz NJEMPKBCDYOHOQ-OIKLOGQESA-N -1 3 375.408 0.932 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573468374 945993041 /nfs/dbraw/zinc/99/30/41/945993041.db2.gz NJEMPKBCDYOHOQ-OIKLOGQESA-N -1 3 375.408 0.932 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573468373 945994136 /nfs/dbraw/zinc/99/41/36/945994136.db2.gz NJEMPKBCDYOHOQ-GCVQQVDUSA-N -1 3 375.408 0.932 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573468373 945994140 /nfs/dbraw/zinc/99/41/40/945994140.db2.gz NJEMPKBCDYOHOQ-GCVQQVDUSA-N -1 3 375.408 0.932 20 0 GCADHM Cc1cc(N2CC[C@H](OC(=O)Cc3cccc(-c4nnn[n-]4)c3)C2=O)n(C)n1 ZINC000822207129 945994194 /nfs/dbraw/zinc/99/41/94/945994194.db2.gz LTNWQVLULGKRIR-AWEZNQCLSA-N -1 3 381.396 0.800 20 0 GCADHM Cc1cc(N2CC[C@H](OC(=O)Cc3cccc(-c4nn[n-]n4)c3)C2=O)n(C)n1 ZINC000822207129 945994198 /nfs/dbraw/zinc/99/41/98/945994198.db2.gz LTNWQVLULGKRIR-AWEZNQCLSA-N -1 3 381.396 0.800 20 0 GCADHM Cc1cc(OCC(=O)O[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)no1 ZINC000822210931 945995760 /nfs/dbraw/zinc/99/57/60/945995760.db2.gz XJFQCRUIYDSFHP-JTQLQIEISA-N -1 3 390.381 0.952 20 0 GCADHM Cc1cc(OCC(=O)O[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)no1 ZINC000822210931 945995770 /nfs/dbraw/zinc/99/57/70/945995770.db2.gz XJFQCRUIYDSFHP-JTQLQIEISA-N -1 3 390.381 0.952 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H](CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573468630 945997398 /nfs/dbraw/zinc/99/73/98/945997398.db2.gz PZZOKUHYJLLATP-JOYOIKCWSA-N -1 3 392.489 0.805 20 0 GCADHM COCc1nc(CN2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cs1 ZINC001571289394 946003155 /nfs/dbraw/zinc/00/31/55/946003155.db2.gz BRAHNFOCTXPQIJ-UHFFFAOYSA-N -1 3 388.457 0.660 20 0 GCADHM COCc1nc(CN2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cs1 ZINC001571289394 946003164 /nfs/dbraw/zinc/00/31/64/946003164.db2.gz BRAHNFOCTXPQIJ-UHFFFAOYSA-N -1 3 388.457 0.660 20 0 GCADHM Cc1nsc(N(C)C2CCN(C(=O)c3cnnn3C)CC2)c1-c1nnn[n-]1 ZINC001571289384 946003401 /nfs/dbraw/zinc/00/34/01/946003401.db2.gz BFDHVJWNSXSGOL-UHFFFAOYSA-N -1 3 388.461 0.501 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573469416 946006604 /nfs/dbraw/zinc/00/66/04/946006604.db2.gz VSICEOGNRQFLSN-RISCZKNCSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573469416 946006616 /nfs/dbraw/zinc/00/66/16/946006616.db2.gz VSICEOGNRQFLSN-RISCZKNCSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573469827 946010286 /nfs/dbraw/zinc/01/02/86/946010286.db2.gz XUMWZRRDJQXMSR-KOLCDFICSA-N -1 3 378.462 0.193 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573469882 946012285 /nfs/dbraw/zinc/01/22/85/946012285.db2.gz YERIQJJCQKXPJQ-JTQLQIEISA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573469882 946012294 /nfs/dbraw/zinc/01/22/94/946012294.db2.gz YERIQJJCQKXPJQ-JTQLQIEISA-N -1 3 375.408 0.173 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573469967 946015341 /nfs/dbraw/zinc/01/53/41/946015341.db2.gz YSKMXMKLZQTQLM-JTQLQIEISA-N -1 3 378.412 0.210 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)CCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573469967 946015353 /nfs/dbraw/zinc/01/53/53/946015353.db2.gz YSKMXMKLZQTQLM-JTQLQIEISA-N -1 3 378.412 0.210 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573470007 946015439 /nfs/dbraw/zinc/01/54/39/946015439.db2.gz ZGWYURJZBYJDLU-XHDPSFHLSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573470007 946015454 /nfs/dbraw/zinc/01/54/54/946015454.db2.gz ZGWYURJZBYJDLU-XHDPSFHLSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470016 946015539 /nfs/dbraw/zinc/01/55/39/946015539.db2.gz ASMSYGGBTFMVDY-JQWIXIFHSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470016 946015551 /nfs/dbraw/zinc/01/55/51/946015551.db2.gz ASMSYGGBTFMVDY-JQWIXIFHSA-N -1 3 390.423 0.576 20 0 GCADHM Cc1nsc(NC[C@H]2CCCN2C(=O)c2nnn(C)c2C)c1-c1nnn[n-]1 ZINC001571289796 946017331 /nfs/dbraw/zinc/01/73/31/946017331.db2.gz MRMFLZXZWFWYBF-SNVBAGLBSA-N -1 3 388.461 0.785 20 0 GCADHM CCn1ncc(C(=O)N(C)[C@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C2)n1 ZINC001571289864 946019160 /nfs/dbraw/zinc/01/91/60/946019160.db2.gz OIFGZALTTNVTKK-JTQLQIEISA-N -1 3 388.461 0.594 20 0 GCADHM Cc1cnc(CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)s1 ZINC001571289877 946019517 /nfs/dbraw/zinc/01/95/17/946019517.db2.gz ORTAZLVHFIRIEB-GWCFXTLKSA-N -1 3 388.457 0.325 20 0 GCADHM Cc1cnc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)s1 ZINC001571289877 946019528 /nfs/dbraw/zinc/01/95/28/946019528.db2.gz ORTAZLVHFIRIEB-GWCFXTLKSA-N -1 3 388.457 0.325 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573470344 946022489 /nfs/dbraw/zinc/02/24/89/946022489.db2.gz DARWHURRNUDAAP-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573470344 946022505 /nfs/dbraw/zinc/02/25/05/946022505.db2.gz DARWHURRNUDAAP-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM Cc1nsc(N2CCCC[C@@H]2CNC(=O)c2ncn(C)n2)c1-c1nnn[n-]1 ZINC001571289939 946023503 /nfs/dbraw/zinc/02/35/03/946023503.db2.gz QHSGHJYBDTUWHU-SNVBAGLBSA-N -1 3 388.461 0.549 20 0 GCADHM Cc1nsc(N(C)C[C@@H]2CCCN(C(=O)c3nc[nH]n3)C2)c1-c1nnn[n-]1 ZINC001571290023 946027106 /nfs/dbraw/zinc/02/71/06/946027106.db2.gz SVRIEDQUGDEELC-JTQLQIEISA-N -1 3 388.461 0.738 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@H]1CN(c2snc(C)c2-c2nnn[n-]2)CC1(C)C ZINC001571290112 946027669 /nfs/dbraw/zinc/02/76/69/946027669.db2.gz VMHBECSMRGVELH-VIFPVBQESA-N -1 3 388.461 0.703 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573470527 946028982 /nfs/dbraw/zinc/02/89/82/946028982.db2.gz GLSZYRSBBHNHMY-JSGCOSHPSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573470527 946028991 /nfs/dbraw/zinc/02/89/91/946028991.db2.gz GLSZYRSBBHNHMY-JSGCOSHPSA-N -1 3 386.460 0.888 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)[nH]n1 ZINC001571290286 946034186 /nfs/dbraw/zinc/03/41/86/946034186.db2.gz ZRYMILTYYBCGEG-LLVKDONJSA-N -1 3 388.457 0.591 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573470887 946035996 /nfs/dbraw/zinc/03/59/96/946035996.db2.gz KGUYVAQFDXQKCU-FPMFFAJLSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573470887 946036009 /nfs/dbraw/zinc/03/60/09/946036009.db2.gz KGUYVAQFDXQKCU-FPMFFAJLSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573470896 946037195 /nfs/dbraw/zinc/03/71/95/946037195.db2.gz KOYPHMCSOPLFBI-SECBINFHSA-N -1 3 378.462 0.559 20 0 GCADHM C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571290456 946044157 /nfs/dbraw/zinc/04/41/57/946044157.db2.gz FLLWOYHDYJLAIR-UFBFGSQYSA-N -1 3 388.823 0.616 20 0 GCADHM C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571290456 946044172 /nfs/dbraw/zinc/04/41/72/946044172.db2.gz FLLWOYHDYJLAIR-UFBFGSQYSA-N -1 3 388.823 0.616 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573471265 946046859 /nfs/dbraw/zinc/04/68/59/946046859.db2.gz NPXAIPQWIHNLBM-YPMHNXCESA-N -1 3 389.435 0.815 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573471265 946046872 /nfs/dbraw/zinc/04/68/72/946046872.db2.gz NPXAIPQWIHNLBM-YPMHNXCESA-N -1 3 389.435 0.815 20 0 GCADHM C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571290639 946051159 /nfs/dbraw/zinc/05/11/59/946051159.db2.gz KQXNPQRBROGWBK-GZMMTYOYSA-N -1 3 388.823 0.616 20 0 GCADHM C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571290639 946051173 /nfs/dbraw/zinc/05/11/73/946051173.db2.gz KQXNPQRBROGWBK-GZMMTYOYSA-N -1 3 388.823 0.616 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1snc(C)c1-c1nnn[n-]1 ZINC001573471463 946051199 /nfs/dbraw/zinc/05/11/99/946051199.db2.gz PBTUVRMRAFXLCN-ZMLRMANQSA-N -1 3 390.473 0.336 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)Cn1cncn1 ZINC001571290732 946052802 /nfs/dbraw/zinc/05/28/02/946052802.db2.gz NNNHAMBTQGRVOO-BXKDBHETSA-N -1 3 388.823 0.608 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cn1cncn1 ZINC001571290732 946052820 /nfs/dbraw/zinc/05/28/20/946052820.db2.gz NNNHAMBTQGRVOO-BXKDBHETSA-N -1 3 388.823 0.608 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573471453 946052832 /nfs/dbraw/zinc/05/28/32/946052832.db2.gz PAQWFQQJEJRSNL-OCCSQVGLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573471453 946052846 /nfs/dbraw/zinc/05/28/46/946052846.db2.gz PAQWFQQJEJRSNL-OCCSQVGLSA-N -1 3 386.460 0.827 20 0 GCADHM CCn1cc(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)nn1 ZINC001571290738 946053285 /nfs/dbraw/zinc/05/32/85/946053285.db2.gz NQGCEHHTOFUSDH-SNVBAGLBSA-N -1 3 388.823 0.535 20 0 GCADHM CCn1cc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)nn1 ZINC001571290738 946053302 /nfs/dbraw/zinc/05/33/02/946053302.db2.gz NQGCEHHTOFUSDH-SNVBAGLBSA-N -1 3 388.823 0.535 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573471604 946053430 /nfs/dbraw/zinc/05/34/30/946053430.db2.gz PTDIPPNMDNHUPH-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573471604 946053445 /nfs/dbraw/zinc/05/34/45/946053445.db2.gz PTDIPPNMDNHUPH-OCCSQVGLSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)Cn1cncn1 ZINC001571290734 946054382 /nfs/dbraw/zinc/05/43/82/946054382.db2.gz NNNHAMBTQGRVOO-JOYOIKCWSA-N -1 3 388.823 0.608 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cn1cncn1 ZINC001571290734 946054395 /nfs/dbraw/zinc/05/43/95/946054395.db2.gz NNNHAMBTQGRVOO-JOYOIKCWSA-N -1 3 388.823 0.608 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573471801 946054613 /nfs/dbraw/zinc/05/46/13/946054613.db2.gz RDVASBZYRUWTBK-JOYOIKCWSA-N -1 3 392.851 0.477 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573471801 946054626 /nfs/dbraw/zinc/05/46/26/946054626.db2.gz RDVASBZYRUWTBK-JOYOIKCWSA-N -1 3 392.851 0.477 20 0 GCADHM Cn1nncc1C(=O)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571290765 946055129 /nfs/dbraw/zinc/05/51/29/946055129.db2.gz OFNAEKFYELSIEJ-JTQLQIEISA-N -1 3 388.823 0.760 20 0 GCADHM Cn1nncc1C(=O)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571290765 946055143 /nfs/dbraw/zinc/05/51/43/946055143.db2.gz OFNAEKFYELSIEJ-JTQLQIEISA-N -1 3 388.823 0.760 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)n1cncn1 ZINC001571290850 946056226 /nfs/dbraw/zinc/05/62/26/946056226.db2.gz QTOMPAIJXXBZTN-KOLCDFICSA-N -1 3 388.823 0.781 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)n1cncn1 ZINC001571290850 946056236 /nfs/dbraw/zinc/05/62/36/946056236.db2.gz QTOMPAIJXXBZTN-KOLCDFICSA-N -1 3 388.823 0.781 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)n1cncn1 ZINC001571290849 946057236 /nfs/dbraw/zinc/05/72/36/946057236.db2.gz QTOMPAIJXXBZTN-GXSJLCMTSA-N -1 3 388.823 0.781 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)n1cncn1 ZINC001571290849 946057248 /nfs/dbraw/zinc/05/72/48/946057248.db2.gz QTOMPAIJXXBZTN-GXSJLCMTSA-N -1 3 388.823 0.781 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573472111 946057593 /nfs/dbraw/zinc/05/75/93/946057593.db2.gz SLYWJXWPNIPRNB-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CCNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573472111 946057606 /nfs/dbraw/zinc/05/76/06/946057606.db2.gz SLYWJXWPNIPRNB-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573471929 946058495 /nfs/dbraw/zinc/05/84/95/946058495.db2.gz SEKLKCLPKWLAKF-TZMCWYRMSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573471929 946058508 /nfs/dbraw/zinc/05/85/08/946058508.db2.gz SEKLKCLPKWLAKF-TZMCWYRMSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573472135 946059469 /nfs/dbraw/zinc/05/94/69/946059469.db2.gz SRCGQUCZTSDNQS-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573472135 946059481 /nfs/dbraw/zinc/05/94/81/946059481.db2.gz SRCGQUCZTSDNQS-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573472164 946059853 /nfs/dbraw/zinc/05/98/53/946059853.db2.gz UEXZXGULNWUXKU-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573472164 946059868 /nfs/dbraw/zinc/05/98/68/946059868.db2.gz UEXZXGULNWUXKU-GXTWGEPZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cn(C)nn1 ZINC001571290912 946061331 /nfs/dbraw/zinc/06/13/31/946061331.db2.gz ULGVAJGELYXHHL-KWQFWETISA-N -1 3 388.823 0.759 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cn(C)nn1 ZINC001571290912 946061343 /nfs/dbraw/zinc/06/13/43/946061343.db2.gz ULGVAJGELYXHHL-KWQFWETISA-N -1 3 388.823 0.759 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571291093 946066345 /nfs/dbraw/zinc/06/63/45/946066345.db2.gz AXTVDVSQIZRXRD-JQWIXIFHSA-N -1 3 389.391 0.757 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571291093 946066358 /nfs/dbraw/zinc/06/63/58/946066358.db2.gz AXTVDVSQIZRXRD-JQWIXIFHSA-N -1 3 389.391 0.757 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001573472619 946066573 /nfs/dbraw/zinc/06/65/73/946066573.db2.gz WNZRTWCXRZFING-LYRGGWFBSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573472619 946066585 /nfs/dbraw/zinc/06/65/85/946066585.db2.gz WNZRTWCXRZFING-LYRGGWFBSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001573472913 946071968 /nfs/dbraw/zinc/07/19/68/946071968.db2.gz XURQFUFYDJRTRN-TUKIKUTGSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001573472913 946071980 /nfs/dbraw/zinc/07/19/80/946071980.db2.gz XURQFUFYDJRTRN-TUKIKUTGSA-N -1 3 384.444 0.356 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573473491 946078513 /nfs/dbraw/zinc/07/85/13/946078513.db2.gz DMRFFLXAQXVOKO-PWSUYJOCSA-N -1 3 392.489 0.949 20 0 GCADHM Cc1cnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822394852 946078611 /nfs/dbraw/zinc/07/86/11/946078611.db2.gz JZGGLUOPYKFYQP-VIFPVBQESA-N -1 3 393.454 0.937 20 0 GCADHM Cc1cnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822394852 946078625 /nfs/dbraw/zinc/07/86/25/946078625.db2.gz JZGGLUOPYKFYQP-VIFPVBQESA-N -1 3 393.454 0.937 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573473457 946079943 /nfs/dbraw/zinc/07/99/43/946079943.db2.gz CKJDNBTXFGLNIM-DOMZBBRYSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573473457 946079956 /nfs/dbraw/zinc/07/99/56/946079956.db2.gz CKJDNBTXFGLNIM-DOMZBBRYSA-N -1 3 386.460 0.604 20 0 GCADHM COC(=O)[C@H](C)N(CC(F)F)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001571291780 946081368 /nfs/dbraw/zinc/08/13/68/946081368.db2.gz OPMQRGANQZDKPX-VIFPVBQESA-N -1 3 389.384 0.992 20 0 GCADHM COC(=O)[C@H](C)N(CC(F)F)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001571291780 946081380 /nfs/dbraw/zinc/08/13/80/946081380.db2.gz OPMQRGANQZDKPX-VIFPVBQESA-N -1 3 389.384 0.992 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2C1 ZINC001573473787 946082893 /nfs/dbraw/zinc/08/28/93/946082893.db2.gz FNKPNLXHSZYTQC-WCFLWFBJSA-N -1 3 387.419 0.425 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2C1 ZINC001573473787 946082908 /nfs/dbraw/zinc/08/29/08/946082908.db2.gz FNKPNLXHSZYTQC-WCFLWFBJSA-N -1 3 387.419 0.425 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@](C)(CNc1ccc(-c2nnn[n-]2)c(C)n1)C1CC1 ZINC001573473595 946083469 /nfs/dbraw/zinc/08/34/69/946083469.db2.gz FAKRJMLRJGGYKK-VOJFVSQTSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@](C)(CNc1ccc(-c2nn[n-]n2)c(C)n1)C1CC1 ZINC001573473595 946083472 /nfs/dbraw/zinc/08/34/72/946083472.db2.gz FAKRJMLRJGGYKK-VOJFVSQTSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@H]21 ZINC001573474096 946085682 /nfs/dbraw/zinc/08/56/82/946085682.db2.gz IIISSEBTFNYYSG-ZMLRMANQSA-N -1 3 390.473 0.193 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573474297 946088365 /nfs/dbraw/zinc/08/83/65/946088365.db2.gz KEDFHNUTDUKCJE-SNVBAGLBSA-N -1 3 378.462 0.195 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)CN2C)cc1-c1nnn[n-]1 ZINC001571291974 946088333 /nfs/dbraw/zinc/08/83/33/946088333.db2.gz ROYHWAXJVFESCU-PIGZYNQJSA-N -1 3 389.416 0.829 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)[C@@]2(C)C[C@@H](O)CN2C)cc1-c1nn[n-]n1 ZINC001571291974 946088349 /nfs/dbraw/zinc/08/83/49/946088349.db2.gz ROYHWAXJVFESCU-PIGZYNQJSA-N -1 3 389.416 0.829 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573474598 946092843 /nfs/dbraw/zinc/09/28/43/946092843.db2.gz LJJRXUFUXJOCMZ-JSGCOSHPSA-N -1 3 386.460 0.604 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573474598 946092856 /nfs/dbraw/zinc/09/28/56/946092856.db2.gz LJJRXUFUXJOCMZ-JSGCOSHPSA-N -1 3 386.460 0.604 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C[C@H]2O)co1 ZINC001571293202 946098607 /nfs/dbraw/zinc/09/86/07/946098607.db2.gz BBXUXPRFASJROL-NWDGAFQWSA-N -1 3 389.441 0.903 20 0 GCADHM CO[C@@H](C)c1nsc(N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571293171 946098984 /nfs/dbraw/zinc/09/89/84/946098984.db2.gz ASKIBKCIRIEEHG-WPRPVWTQSA-N -1 3 389.445 0.762 20 0 GCADHM CO[C@@H](C)c1nsc(N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571293171 946098996 /nfs/dbraw/zinc/09/89/96/946098996.db2.gz ASKIBKCIRIEEHG-WPRPVWTQSA-N -1 3 389.445 0.762 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573475403 946100734 /nfs/dbraw/zinc/10/07/34/946100734.db2.gz TTWBUNUGVNBVLW-LLVKDONJSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573475403 946100738 /nfs/dbraw/zinc/10/07/38/946100738.db2.gz TTWBUNUGVNBVLW-LLVKDONJSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@]2(C)C1 ZINC001573475736 946104392 /nfs/dbraw/zinc/10/43/92/946104392.db2.gz XBJKCKBORKEYGN-BVRBVLIYSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@]2(C)C1 ZINC001573475736 946104394 /nfs/dbraw/zinc/10/43/94/946104394.db2.gz XBJKCKBORKEYGN-BVRBVLIYSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573475812 946107463 /nfs/dbraw/zinc/10/74/63/946107463.db2.gz BCPDYEIUUMHYSG-YGRLFVJLSA-N -1 3 389.435 0.861 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001573475812 946107476 /nfs/dbraw/zinc/10/74/76/946107476.db2.gz BCPDYEIUUMHYSG-YGRLFVJLSA-N -1 3 389.435 0.861 20 0 GCADHM Cc1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822510461 946107917 /nfs/dbraw/zinc/10/79/17/946107917.db2.gz NYURTEULKWSJCR-SSDOTTSWSA-N -1 3 394.442 0.332 20 0 GCADHM Cc1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822510461 946107925 /nfs/dbraw/zinc/10/79/25/946107925.db2.gz NYURTEULKWSJCR-SSDOTTSWSA-N -1 3 394.442 0.332 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC001571293550 946109206 /nfs/dbraw/zinc/10/92/06/946109206.db2.gz LAFBBZYQFVLBGP-FZMZJTMJSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CN(C(=O)CC(C)(C)C)CCO1 ZINC001571293550 946109211 /nfs/dbraw/zinc/10/92/11/946109211.db2.gz LAFBBZYQFVLBGP-FZMZJTMJSA-N -1 3 389.460 0.977 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573475978 946109970 /nfs/dbraw/zinc/10/99/70/946109970.db2.gz BTFNTVDSNHYAFQ-JTQLQIEISA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573475978 946109975 /nfs/dbraw/zinc/10/99/75/946109975.db2.gz BTFNTVDSNHYAFQ-JTQLQIEISA-N -1 3 390.423 0.766 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](NC(=O)C3CCC(F)CC3)C2)n1 ZINC001571293604 946110762 /nfs/dbraw/zinc/11/07/62/946110762.db2.gz MJFWNEDMTODJOF-BBNOBNGHSA-N -1 3 389.435 0.764 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](NC(=O)C3CCC(F)CC3)C2)n1 ZINC001571293604 946110767 /nfs/dbraw/zinc/11/07/67/946110767.db2.gz MJFWNEDMTODJOF-BBNOBNGHSA-N -1 3 389.435 0.764 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573476154 946114137 /nfs/dbraw/zinc/11/41/37/946114137.db2.gz ZZYXJRHDMZUFKA-MWLCHTKSSA-N -1 3 378.462 0.559 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001571293741 946115138 /nfs/dbraw/zinc/11/51/38/946115138.db2.gz QIDLDZKTDXHYCF-NILFDRSVSA-N -1 3 389.435 0.845 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001571293741 946115141 /nfs/dbraw/zinc/11/51/41/946115141.db2.gz QIDLDZKTDXHYCF-NILFDRSVSA-N -1 3 389.435 0.845 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)CC1 ZINC001571293759 946115566 /nfs/dbraw/zinc/11/55/66/946115566.db2.gz QVVPKKKOMXQYDN-UHFFFAOYSA-N -1 3 389.441 0.502 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)CC1 ZINC001571293759 946115570 /nfs/dbraw/zinc/11/55/70/946115570.db2.gz QVVPKKKOMXQYDN-UHFFFAOYSA-N -1 3 389.441 0.502 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)CC2(O)CCC2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571293750 946115878 /nfs/dbraw/zinc/11/58/78/946115878.db2.gz QLRJWMBDVVDTBH-LBPRGKRZSA-N -1 3 389.435 0.991 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)CC2(O)CCC2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571293750 946115880 /nfs/dbraw/zinc/11/58/80/946115880.db2.gz QLRJWMBDVVDTBH-LBPRGKRZSA-N -1 3 389.435 0.991 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573476388 946118029 /nfs/dbraw/zinc/11/80/29/946118029.db2.gz GEPOZUUCQPXZGJ-SNVBAGLBSA-N -1 3 392.489 0.997 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CC1(C)C ZINC001573476473 946119887 /nfs/dbraw/zinc/11/98/87/946119887.db2.gz HFFQDDXFMFPRLB-RISCZKNCSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CC1(C)C ZINC001573476473 946119896 /nfs/dbraw/zinc/11/98/96/946119896.db2.gz HFFQDDXFMFPRLB-RISCZKNCSA-N -1 3 386.460 0.426 20 0 GCADHM CC[C@@H](OC)C(=O)N1CCC[C@@](CO)(Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571293962 946119980 /nfs/dbraw/zinc/11/99/80/946119980.db2.gz XBJYWIOGPQINBC-RDTXWAMCSA-N -1 3 389.460 0.761 20 0 GCADHM CC[C@@H](OC)C(=O)N1CCC[C@@](CO)(Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571293962 946119988 /nfs/dbraw/zinc/11/99/88/946119988.db2.gz XBJYWIOGPQINBC-RDTXWAMCSA-N -1 3 389.460 0.761 20 0 GCADHM Cc1nsc(N2CCC[C@H]2CNC(=O)c2cn(C)c(=O)[nH]2)c1-c1nnn[n-]1 ZINC001571293968 946121656 /nfs/dbraw/zinc/12/16/56/946121656.db2.gz XCHFESZSHFTIMD-VIFPVBQESA-N -1 3 389.445 0.470 20 0 GCADHM Cc1nsc(N2CCC[C@H]2CNC(=O)c2cn(C)c(=O)[nH]2)c1-c1nn[n-]n1 ZINC001571293968 946121659 /nfs/dbraw/zinc/12/16/59/946121659.db2.gz XCHFESZSHFTIMD-VIFPVBQESA-N -1 3 389.445 0.470 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@H]2CNc2snc(C)c2-c2nnn[n-]2)o1 ZINC001571294036 946122259 /nfs/dbraw/zinc/12/22/59/946122259.db2.gz YTHZEXYJGUWFBE-JTQLQIEISA-N -1 3 389.445 0.969 20 0 GCADHM O=C(NC[C@@H]1COCCN1CC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571294039 946122424 /nfs/dbraw/zinc/12/24/24/946122424.db2.gz YTMXVRSFVWQDFM-KGLIPLIRSA-N -1 3 389.460 0.585 20 0 GCADHM O=C(NC[C@@H]1COCCN1CC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571294039 946122431 /nfs/dbraw/zinc/12/24/31/946122431.db2.gz YTMXVRSFVWQDFM-KGLIPLIRSA-N -1 3 389.460 0.585 20 0 GCADHM O=C(C1=CS(=O)(=O)CCC1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001571293977 946123265 /nfs/dbraw/zinc/12/32/65/946123265.db2.gz XJEVPXXOZUJKCT-HNNXBMFYSA-N -1 3 389.437 0.859 20 0 GCADHM O=C(C1=CS(=O)(=O)CCC1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001571293977 946123273 /nfs/dbraw/zinc/12/32/73/946123273.db2.gz XJEVPXXOZUJKCT-HNNXBMFYSA-N -1 3 389.437 0.859 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573476673 946124162 /nfs/dbraw/zinc/12/41/62/946124162.db2.gz IOJNVHUQARGKSC-OCCSQVGLSA-N -1 3 386.460 0.570 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573476673 946124168 /nfs/dbraw/zinc/12/41/68/946124168.db2.gz IOJNVHUQARGKSC-OCCSQVGLSA-N -1 3 386.460 0.570 20 0 GCADHM Cc1sc(NC(=O)CN(C)C[C@@H]2CN(C)CCO2)c(-c2nnn[n-]2)c1C ZINC000822557537 946126722 /nfs/dbraw/zinc/12/67/22/946126722.db2.gz IUZRECBSFOMSGB-LBPRGKRZSA-N -1 3 379.490 0.746 20 0 GCADHM Cc1sc(NC(=O)CN(C)C[C@@H]2CN(C)CCO2)c(-c2nn[n-]n2)c1C ZINC000822557537 946126724 /nfs/dbraw/zinc/12/67/24/946126724.db2.gz IUZRECBSFOMSGB-LBPRGKRZSA-N -1 3 379.490 0.746 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(c2cc(Cl)c(=O)[nH]n2)C1 ZINC001571294138 946127442 /nfs/dbraw/zinc/12/74/42/946127442.db2.gz BNUKJNFKIBKZLX-VIFPVBQESA-N -1 3 389.807 0.695 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(c2cc(Cl)c(=O)[nH]n2)C1 ZINC001571294138 946127451 /nfs/dbraw/zinc/12/74/51/946127451.db2.gz BNUKJNFKIBKZLX-VIFPVBQESA-N -1 3 389.807 0.695 20 0 GCADHM C[C@]1(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)CCC(=O)NC1 ZINC001571294162 946128234 /nfs/dbraw/zinc/12/82/34/946128234.db2.gz BTUZHLIFEMDRFZ-KRWDZBQOSA-N -1 3 389.485 0.489 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573477068 946128446 /nfs/dbraw/zinc/12/84/46/946128446.db2.gz LYNQDGUXXHZYOE-SKDRFNHKSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573477068 946128451 /nfs/dbraw/zinc/12/84/51/946128451.db2.gz LYNQDGUXXHZYOE-SKDRFNHKSA-N -1 3 376.396 0.010 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573477254 946130152 /nfs/dbraw/zinc/13/01/52/946130152.db2.gz NLAQKLMZTAYILC-PSLIRLAXSA-N -1 3 378.462 0.241 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571294273 946130654 /nfs/dbraw/zinc/13/06/54/946130654.db2.gz CYABYCHQWSTHGD-PHIMTYICSA-N -1 3 389.807 0.122 20 0 GCADHM O=C(Cn1cc(Cl)cn1)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571294273 946130659 /nfs/dbraw/zinc/13/06/59/946130659.db2.gz CYABYCHQWSTHGD-PHIMTYICSA-N -1 3 389.807 0.122 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1(C)C ZINC001573477277 946132245 /nfs/dbraw/zinc/13/22/45/946132245.db2.gz NVMCQUNJQOPOBU-BXUZGUMPSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1(C)C ZINC001573477277 946132251 /nfs/dbraw/zinc/13/22/51/946132251.db2.gz NVMCQUNJQOPOBU-BXUZGUMPSA-N -1 3 386.460 0.426 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573477320 946132615 /nfs/dbraw/zinc/13/26/15/946132615.db2.gz OOURTFQEJIZVBX-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573477320 946132623 /nfs/dbraw/zinc/13/26/23/946132623.db2.gz OOURTFQEJIZVBX-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573477428 946136812 /nfs/dbraw/zinc/13/68/12/946136812.db2.gz QPSWXHOBGFQHPK-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573477428 946136815 /nfs/dbraw/zinc/13/68/15/946136815.db2.gz QPSWXHOBGFQHPK-SMDDNHRTSA-N -1 3 384.444 0.261 20 0 GCADHM CN1C(=O)CCC[C@H]1C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294510 946137071 /nfs/dbraw/zinc/13/70/71/946137071.db2.gz ICACIGARJLQWIB-ZDUSSCGKSA-N -1 3 389.485 0.487 20 0 GCADHM CN(Cc1ncc(Cl)n1C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571294642 946140928 /nfs/dbraw/zinc/14/09/28/946140928.db2.gz KQMTZZFPAXMQDA-LLVKDONJSA-N -1 3 389.851 0.928 20 0 GCADHM CN(Cc1ncc(Cl)n1C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571294642 946140930 /nfs/dbraw/zinc/14/09/30/946140930.db2.gz KQMTZZFPAXMQDA-LLVKDONJSA-N -1 3 389.851 0.928 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573477809 946142755 /nfs/dbraw/zinc/14/27/55/946142755.db2.gz UHPBHMIJACNWDE-SECBINFHSA-N -1 3 378.462 0.241 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573477818 946143017 /nfs/dbraw/zinc/14/30/17/946143017.db2.gz UJVSUZXSTNFOHV-MFKMUULPSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573477818 946143026 /nfs/dbraw/zinc/14/30/26/946143026.db2.gz UJVSUZXSTNFOHV-MFKMUULPSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573478582 946149918 /nfs/dbraw/zinc/14/99/18/946149918.db2.gz XKCYGVBUOJXWJU-AMIZOPFISA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573478582 946149928 /nfs/dbraw/zinc/14/99/28/946149928.db2.gz XKCYGVBUOJXWJU-AMIZOPFISA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573478595 946151004 /nfs/dbraw/zinc/15/10/04/946151004.db2.gz XPMRRLIDMYYTJG-CMPLNLGQSA-N -1 3 392.489 0.631 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1N(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573478776 946151023 /nfs/dbraw/zinc/15/10/23/946151023.db2.gz YPZIMTWLFRUUMG-OMPKRAJASA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@]12CCC[C@H]1N(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573478776 946151025 /nfs/dbraw/zinc/15/10/25/946151025.db2.gz YPZIMTWLFRUUMG-OMPKRAJASA-N -1 3 384.444 0.404 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573478837 946152464 /nfs/dbraw/zinc/15/24/64/946152464.db2.gz YYIXQIWIRGHXTQ-XXFAHNHDSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573478837 946152474 /nfs/dbraw/zinc/15/24/74/946152474.db2.gz YYIXQIWIRGHXTQ-XXFAHNHDSA-N -1 3 392.851 0.525 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571295089 946152601 /nfs/dbraw/zinc/15/26/01/946152601.db2.gz SOJKLIJCXPRFAX-BXKDBHETSA-N -1 3 390.379 0.160 20 0 GCADHM O=C([C@H]1COC(=O)N1)N1CCC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571295089 946152610 /nfs/dbraw/zinc/15/26/10/946152610.db2.gz SOJKLIJCXPRFAX-BXKDBHETSA-N -1 3 390.379 0.160 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822674119 946152953 /nfs/dbraw/zinc/15/29/53/946152953.db2.gz LPULQAQVQHSZFJ-ZDUSSCGKSA-N -1 3 394.395 0.157 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674119 946152960 /nfs/dbraw/zinc/15/29/60/946152960.db2.gz LPULQAQVQHSZFJ-ZDUSSCGKSA-N -1 3 394.395 0.157 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(CCOc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 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WQJRLDXLPFUQFO-GXSJLCMTSA-N -1 3 389.851 0.975 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573479499 946160935 /nfs/dbraw/zinc/16/09/35/946160935.db2.gz DOLLPTQLFVHHBA-IINYFYTJSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573479499 946160941 /nfs/dbraw/zinc/16/09/41/946160941.db2.gz DOLLPTQLFVHHBA-IINYFYTJSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(Cc2nn(C)cc2Cl)C1 ZINC001571295369 946162075 /nfs/dbraw/zinc/16/20/75/946162075.db2.gz YZCDBIYUOXFASV-VIFPVBQESA-N -1 3 389.851 0.832 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(Cc2nn(C)cc2Cl)C1 ZINC001571295369 946162081 /nfs/dbraw/zinc/16/20/81/946162081.db2.gz YZCDBIYUOXFASV-VIFPVBQESA-N -1 3 389.851 0.832 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCCN1c1ncccc1-c1nnn[n-]1 ZINC001573479597 946163805 /nfs/dbraw/zinc/16/38/05/946163805.db2.gz FRQCHDDBANDUHD-JSGCOSHPSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573479597 946163810 /nfs/dbraw/zinc/16/38/10/946163810.db2.gz FRQCHDDBANDUHD-JSGCOSHPSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCCN1c1ncccc1-c1nnn[n-]1 ZINC001573479596 946164502 /nfs/dbraw/zinc/16/45/02/946164502.db2.gz FRQCHDDBANDUHD-GXTWGEPZSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573479596 946164509 /nfs/dbraw/zinc/16/45/09/946164509.db2.gz FRQCHDDBANDUHD-GXTWGEPZSA-N -1 3 386.460 0.652 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCOC1 ZINC001571295934 946178813 /nfs/dbraw/zinc/17/88/13/946178813.db2.gz JYHNREHBAWSNGM-KBPBESRZSA-N -1 3 390.419 0.359 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)[C@H]1CCOC1 ZINC001571295934 946178814 /nfs/dbraw/zinc/17/88/14/946178814.db2.gz JYHNREHBAWSNGM-KBPBESRZSA-N -1 3 390.419 0.359 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573481404 946182665 /nfs/dbraw/zinc/18/26/65/946182665.db2.gz PJYWZQCLFVEVPU-ZWNOBZJWSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573481404 946182677 /nfs/dbraw/zinc/18/26/77/946182677.db2.gz PJYWZQCLFVEVPU-ZWNOBZJWSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573481401 946182813 /nfs/dbraw/zinc/18/28/13/946182813.db2.gz PJYWZQCLFVEVPU-GWCFXTLKSA-N -1 3 390.423 0.401 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573481401 946182821 /nfs/dbraw/zinc/18/28/21/946182821.db2.gz PJYWZQCLFVEVPU-GWCFXTLKSA-N -1 3 390.423 0.401 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CN(Cc3cc(F)ccc3-c3nn[n-]n3)C[C@H]2O)CCOC1 ZINC001571296097 946185845 /nfs/dbraw/zinc/18/58/45/946185845.db2.gz NNBLVGGITMSZHR-RKVPGOIHSA-N -1 3 390.419 0.094 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573481725 946187545 /nfs/dbraw/zinc/18/75/45/946187545.db2.gz RHZFIMUVUNWPOH-SNVBAGLBSA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573481725 946187557 /nfs/dbraw/zinc/18/75/57/946187557.db2.gz RHZFIMUVUNWPOH-SNVBAGLBSA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573481860 946188030 /nfs/dbraw/zinc/18/80/30/946188030.db2.gz SDSCADLXJMZGKU-ONGXEEELSA-N -1 3 378.462 0.099 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2snc(C)c2-c2nnn[n-]2)CCCC1 ZINC001573482019 946189356 /nfs/dbraw/zinc/18/93/56/946189356.db2.gz SYFHYYCQPOFBPF-JTQLQIEISA-N -1 3 392.489 0.997 20 0 GCADHM O=C([C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1)N1[C@H](CO)CC[C@H]1CO ZINC001571296234 946190231 /nfs/dbraw/zinc/19/02/31/946190231.db2.gz RLQYTXWFDFLVPI-RDBSUJKOSA-N -1 3 390.419 0.176 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573482056 946191576 /nfs/dbraw/zinc/19/15/76/946191576.db2.gz UEPJDHSXFGJZLE-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573482056 946191587 /nfs/dbraw/zinc/19/15/87/946191587.db2.gz UEPJDHSXFGJZLE-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573482234 946194030 /nfs/dbraw/zinc/19/40/30/946194030.db2.gz VMCHJTDDSPKJTB-DGCLKSJQSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573482234 946194037 /nfs/dbraw/zinc/19/40/37/946194037.db2.gz VMCHJTDDSPKJTB-DGCLKSJQSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573482233 946194746 /nfs/dbraw/zinc/19/47/46/946194746.db2.gz VMCHJTDDSPKJTB-AAEUAGOBSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573482233 946194754 /nfs/dbraw/zinc/19/47/54/946194754.db2.gz VMCHJTDDSPKJTB-AAEUAGOBSA-N -1 3 389.435 0.863 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCCO1 ZINC001571296510 946197070 /nfs/dbraw/zinc/19/70/70/946197070.db2.gz ZQNJXVOGMXENPB-HOCLYGCPSA-N -1 3 390.419 0.502 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCCO1 ZINC001571296510 946197076 /nfs/dbraw/zinc/19/70/76/946197076.db2.gz ZQNJXVOGMXENPB-HOCLYGCPSA-N -1 3 390.419 0.502 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573482592 946197949 /nfs/dbraw/zinc/19/79/49/946197949.db2.gz YKOJEMDKUWCLDJ-CMPLNLGQSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573482592 946197951 /nfs/dbraw/zinc/19/79/51/946197951.db2.gz YKOJEMDKUWCLDJ-CMPLNLGQSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573482659 946200466 /nfs/dbraw/zinc/20/04/66/946200466.db2.gz ZLVOBKNYCDIKOZ-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573482659 946200469 /nfs/dbraw/zinc/20/04/69/946200469.db2.gz ZLVOBKNYCDIKOZ-LBPRGKRZSA-N -1 3 386.460 0.936 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822864838 946203959 /nfs/dbraw/zinc/20/39/59/946203959.db2.gz MVWGABVUNIKLFP-SECBINFHSA-N -1 3 391.819 0.573 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822864838 946203968 /nfs/dbraw/zinc/20/39/68/946203968.db2.gz MVWGABVUNIKLFP-SECBINFHSA-N -1 3 391.819 0.573 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573483239 946205746 /nfs/dbraw/zinc/20/57/46/946205746.db2.gz CQLRYHSXBPUYGY-DLOVCJGASA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573483239 946205753 /nfs/dbraw/zinc/20/57/53/946205753.db2.gz CQLRYHSXBPUYGY-DLOVCJGASA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573483300 946205905 /nfs/dbraw/zinc/20/59/05/946205905.db2.gz DBFPAZUAKAXWDY-WCQYABFASA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573483300 946205914 /nfs/dbraw/zinc/20/59/14/946205914.db2.gz DBFPAZUAKAXWDY-WCQYABFASA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nnn[n-]3)[C@@H]2C)C1 ZINC001571298092 946206051 /nfs/dbraw/zinc/20/60/51/946206051.db2.gz JGWXNQDHSLJEMN-SKDRFNHKSA-N -1 3 390.473 0.193 20 0 GCADHM CN(C(=O)[C@H]1CCCS1(=O)=O)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571298065 946206328 /nfs/dbraw/zinc/20/63/28/946206328.db2.gz IUWWWFCRYYCFHG-OAHLLOKOSA-N -1 3 390.469 0.087 20 0 GCADHM CN(C(=O)[C@H]1CCCS1(=O)=O)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571298065 946206339 /nfs/dbraw/zinc/20/63/39/946206339.db2.gz IUWWWFCRYYCFHG-OAHLLOKOSA-N -1 3 390.469 0.087 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573483394 946209236 /nfs/dbraw/zinc/20/92/36/946209236.db2.gz FUWUIRJHNMRSOE-IINYFYTJSA-N -1 3 375.408 0.221 20 0 GCADHM NC(=O)c1ccc(CNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822885353 946210710 /nfs/dbraw/zinc/21/07/10/946210710.db2.gz MALSYSAIVNJAGD-UHFFFAOYSA-N -1 3 382.384 0.239 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1C ZINC001573484045 946214932 /nfs/dbraw/zinc/21/49/32/946214932.db2.gz JTLJFLLRLAPLTO-NTZNESFSSA-N -1 3 389.435 0.719 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1C ZINC001573484045 946214938 /nfs/dbraw/zinc/21/49/38/946214938.db2.gz JTLJFLLRLAPLTO-NTZNESFSSA-N -1 3 389.435 0.719 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573484022 946215817 /nfs/dbraw/zinc/21/58/17/946215817.db2.gz JJZOUBDXYNJUPN-IMJCEVDSSA-N -1 3 389.485 0.674 20 0 GCADHM Nc1nsc(N2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000822912372 946218095 /nfs/dbraw/zinc/21/80/95/946218095.db2.gz XQFDVLMMECHBHR-UHFFFAOYSA-N -1 3 386.445 0.061 20 0 GCADHM Nc1nsc(N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000822912372 946218105 /nfs/dbraw/zinc/21/81/05/946218105.db2.gz XQFDVLMMECHBHR-UHFFFAOYSA-N -1 3 386.445 0.061 20 0 GCADHM O=C(C=Cc1ccccc1-c1nnn[n-]1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000822929448 946223724 /nfs/dbraw/zinc/22/37/24/946223724.db2.gz UNPGROKCQMHKRG-SQRWCISFSA-N -1 3 382.424 0.776 20 0 GCADHM O=C(C=Cc1ccccc1-c1nn[n-]n1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000822929448 946223735 /nfs/dbraw/zinc/22/37/35/946223735.db2.gz UNPGROKCQMHKRG-SQRWCISFSA-N -1 3 382.424 0.776 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573485556 946228745 /nfs/dbraw/zinc/22/87/45/946228745.db2.gz VXOSEEZUTKOWNZ-GIPNMCIBSA-N -1 3 390.423 0.114 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573485556 946228757 /nfs/dbraw/zinc/22/87/57/946228757.db2.gz VXOSEEZUTKOWNZ-GIPNMCIBSA-N -1 3 390.423 0.114 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573485741 946233831 /nfs/dbraw/zinc/23/38/31/946233831.db2.gz XUYGACZMSGLJAS-LTZCYQRMSA-N -1 3 384.444 0.321 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573485741 946233842 /nfs/dbraw/zinc/23/38/42/946233842.db2.gz XUYGACZMSGLJAS-LTZCYQRMSA-N -1 3 384.444 0.321 20 0 GCADHM Cc1nsc(NC[C@@]2(C)CCN(C(=O)[C@H]3CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571299046 946238841 /nfs/dbraw/zinc/23/88/41/946238841.db2.gz TVUMBYXZRDIBFR-QLJPJBMISA-N -1 3 390.473 0.561 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573486402 946241674 /nfs/dbraw/zinc/24/16/74/946241674.db2.gz FUWUIRJHNMRSOE-YGRLFVJLSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1C ZINC001573487291 946248035 /nfs/dbraw/zinc/24/80/35/946248035.db2.gz LYYKCRTWVVTINN-KKFJDGPESA-N -1 3 392.851 0.523 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H]1C ZINC001573487291 946248043 /nfs/dbraw/zinc/24/80/43/946248043.db2.gz LYYKCRTWVVTINN-KKFJDGPESA-N -1 3 392.851 0.523 20 0 GCADHM Cc1nsc(N2CC[C@@H](NC(=O)CN3CCCCC3=O)C2)c1-c1nnn[n-]1 ZINC001571299580 946252938 /nfs/dbraw/zinc/25/29/38/946252938.db2.gz XQRGXOYBWBQEPH-LLVKDONJSA-N -1 3 390.473 0.339 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573487458 946253845 /nfs/dbraw/zinc/25/38/45/946253845.db2.gz ONFOGDTXYDHAAY-HLUHBDAQSA-N -1 3 392.851 0.746 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573487458 946253855 /nfs/dbraw/zinc/25/38/55/946253855.db2.gz ONFOGDTXYDHAAY-HLUHBDAQSA-N -1 3 392.851 0.746 20 0 GCADHM Cc1nsc(N(C)C[C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)c1-c1nnn[n-]1 ZINC001571299597 946256443 /nfs/dbraw/zinc/25/64/43/946256443.db2.gz YIJMLVYHPRCJJV-QWRGUYRKSA-N -1 3 390.473 0.337 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)[C@@H]1C ZINC001573487935 946260804 /nfs/dbraw/zinc/26/08/04/946260804.db2.gz VKMKTTGOZYMUJE-NGZCFLSTSA-N -1 3 378.462 0.240 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573488091 946265364 /nfs/dbraw/zinc/26/53/64/946265364.db2.gz XYAALZPCUZOVLT-HYKPAMGXSA-N -1 3 387.419 0.756 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573488091 946265374 /nfs/dbraw/zinc/26/53/74/946265374.db2.gz XYAALZPCUZOVLT-HYKPAMGXSA-N -1 3 387.419 0.756 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O)c1cocn1 ZINC001571299909 946267075 /nfs/dbraw/zinc/26/70/75/946267075.db2.gz QUKBFTOJYREMJO-PWSUYJOCSA-N -1 3 390.791 0.273 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O)c1cocn1 ZINC001571299909 946267082 /nfs/dbraw/zinc/26/70/82/946267082.db2.gz QUKBFTOJYREMJO-PWSUYJOCSA-N -1 3 390.791 0.273 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573488633 946271457 /nfs/dbraw/zinc/27/14/57/946271457.db2.gz GNPYQCWBEMILGS-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573488633 946271469 /nfs/dbraw/zinc/27/14/69/946271469.db2.gz GNPYQCWBEMILGS-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCCNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488762 946275994 /nfs/dbraw/zinc/27/59/94/946275994.db2.gz LMGXDPFMYWSVIV-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCCNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488762 946276002 /nfs/dbraw/zinc/27/60/02/946276002.db2.gz LMGXDPFMYWSVIV-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573488818 946277159 /nfs/dbraw/zinc/27/71/59/946277159.db2.gz MWQUXTLDGXHBRT-LLVKDONJSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573488818 946277169 /nfs/dbraw/zinc/27/71/69/946277169.db2.gz MWQUXTLDGXHBRT-LLVKDONJSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573488921 946279192 /nfs/dbraw/zinc/27/91/92/946279192.db2.gz PZKBNICSHQMTRY-GFCCVEGCSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573488921 946279203 /nfs/dbraw/zinc/27/92/03/946279203.db2.gz PZKBNICSHQMTRY-GFCCVEGCSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488890 946281302 /nfs/dbraw/zinc/28/13/02/946281302.db2.gz OZARVHZVGWSLDP-GFCCVEGCSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488890 946281310 /nfs/dbraw/zinc/28/13/10/946281310.db2.gz OZARVHZVGWSLDP-GFCCVEGCSA-N -1 3 386.460 0.969 20 0 GCADHM O=C(c1ccnc2c1CC(=O)N2)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571301846 946284931 /nfs/dbraw/zinc/28/49/31/946284931.db2.gz FPUXTXDKXGWSSA-LLVKDONJSA-N -1 3 391.395 0.478 20 0 GCADHM O=C(c1ccnc2c1CC(=O)N2)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571301846 946284942 /nfs/dbraw/zinc/28/49/42/946284942.db2.gz FPUXTXDKXGWSSA-LLVKDONJSA-N -1 3 391.395 0.478 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573489129 946286965 /nfs/dbraw/zinc/28/69/65/946286965.db2.gz YFRGFJYQMYCCEA-LLVKDONJSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573489129 946286975 /nfs/dbraw/zinc/28/69/75/946286975.db2.gz YFRGFJYQMYCCEA-LLVKDONJSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001573489141 946287779 /nfs/dbraw/zinc/28/77/79/946287779.db2.gz YQONREAYELHJBI-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM CC(=O)NC1(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001573489141 946287787 /nfs/dbraw/zinc/28/77/87/946287787.db2.gz YQONREAYELHJBI-UHFFFAOYSA-N -1 3 386.460 0.971 20 0 GCADHM CS(=O)(=O)C[C@@H](O)CNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001571301922 946287923 /nfs/dbraw/zinc/28/79/23/946287923.db2.gz HUPPASCPRPJYMI-NSHDSACASA-N -1 3 391.413 0.266 20 0 GCADHM CS(=O)(=O)C[C@@H](O)CNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001571301922 946287934 /nfs/dbraw/zinc/28/79/34/946287934.db2.gz HUPPASCPRPJYMI-NSHDSACASA-N -1 3 391.413 0.266 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CN(C)c2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573489160 946288115 /nfs/dbraw/zinc/28/81/15/946288115.db2.gz ZODBITZTPHHENY-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CN(C)c2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573489160 946288123 /nfs/dbraw/zinc/28/81/23/946288123.db2.gz ZODBITZTPHHENY-LBPRGKRZSA-N -1 3 386.460 0.652 20 0 GCADHM CCOC(=O)c1c(NC(=O)N[C@H]2C[C@@H](C)OC2=O)c(-c2nnn[n-]2)cn1CC ZINC001571302048 946289964 /nfs/dbraw/zinc/28/99/64/946289964.db2.gz MRJQKHPEFHTOMG-SCZZXKLOSA-N -1 3 391.388 0.690 20 0 GCADHM CCOC(=O)c1c(NC(=O)N[C@H]2C[C@@H](C)OC2=O)c(-c2nn[n-]n2)cn1CC ZINC001571302048 946289974 /nfs/dbraw/zinc/28/99/74/946289974.db2.gz MRJQKHPEFHTOMG-SCZZXKLOSA-N -1 3 391.388 0.690 20 0 GCADHM O=C(NC[C@H]1CN(C(=O)C2(CF)CC2)CCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571302105 946293575 /nfs/dbraw/zinc/29/35/75/946293575.db2.gz OUEOGCBJSQKWKC-NSHDSACASA-N -1 3 391.407 0.292 20 0 GCADHM O=C(NC[C@H]1CN(C(=O)C2(CF)CC2)CCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571302105 946293584 /nfs/dbraw/zinc/29/35/84/946293584.db2.gz OUEOGCBJSQKWKC-NSHDSACASA-N -1 3 391.407 0.292 20 0 GCADHM CC(=O)NC1CCC(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573493052 946296158 /nfs/dbraw/zinc/29/61/58/946296158.db2.gz GARLZUNKEQTSAR-ZOODHJKOSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC1CCC(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573493052 946296164 /nfs/dbraw/zinc/29/61/64/946296164.db2.gz GARLZUNKEQTSAR-ZOODHJKOSA-N -1 3 386.460 0.873 20 0 GCADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C)c1ccnn1C ZINC001571302268 946296604 /nfs/dbraw/zinc/29/66/04/946296604.db2.gz SRBQLOQOFDITJU-VIFPVBQESA-N -1 3 391.413 0.426 20 0 GCADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C)c1ccnn1C ZINC001571302268 946296611 /nfs/dbraw/zinc/29/66/11/946296611.db2.gz SRBQLOQOFDITJU-VIFPVBQESA-N -1 3 391.413 0.426 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(C(F)F)n[nH]2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571302292 946298050 /nfs/dbraw/zinc/29/80/50/946298050.db2.gz UEMBPGNUMAHKCE-MRVPVSSYSA-N -1 3 391.342 0.500 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571302319 946300132 /nfs/dbraw/zinc/30/01/32/946300132.db2.gz USARSUYOKRQDGZ-ZJUUUORDSA-N -1 3 391.388 0.011 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2ccc(F)s2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571302319 946300145 /nfs/dbraw/zinc/30/01/45/946300145.db2.gz USARSUYOKRQDGZ-ZJUUUORDSA-N -1 3 391.388 0.011 20 0 GCADHM O=C([C@@H]1CCc2ncncc2C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571302579 946308531 /nfs/dbraw/zinc/30/85/31/946308531.db2.gz BZRYNUBYQFBKAF-IUODEOHRSA-N -1 3 391.439 0.870 20 0 GCADHM O=C([C@@H]1CCc2ncncc2C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571302579 946308542 /nfs/dbraw/zinc/30/85/42/946308542.db2.gz BZRYNUBYQFBKAF-IUODEOHRSA-N -1 3 391.439 0.870 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)[C@H]1Cc2ccccc21 ZINC001571302726 946313737 /nfs/dbraw/zinc/31/37/37/946313737.db2.gz ACUORVJUFUTESW-RDJZCZTQSA-N -1 3 391.435 0.923 20 0 GCADHM O=C(NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)[C@H]1Cc2ccccc21 ZINC001571302726 946313751 /nfs/dbraw/zinc/31/37/51/946313751.db2.gz ACUORVJUFUTESW-RDJZCZTQSA-N -1 3 391.435 0.923 20 0 GCADHM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573496246 946320035 /nfs/dbraw/zinc/32/00/35/946320035.db2.gz XTUHGEGWLPLQML-LMWSTFAQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC1CCC(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573496246 946320047 /nfs/dbraw/zinc/32/00/47/946320047.db2.gz XTUHGEGWLPLQML-LMWSTFAQSA-N -1 3 386.460 0.873 20 0 GCADHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571303093 946324417 /nfs/dbraw/zinc/32/44/17/946324417.db2.gz LGORJJJSKCYJAF-FAHYXWLWSA-N -1 3 391.439 0.350 20 0 GCADHM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571303093 946324431 /nfs/dbraw/zinc/32/44/31/946324431.db2.gz LGORJJJSKCYJAF-FAHYXWLWSA-N -1 3 391.439 0.350 20 0 GCADHM CN(C)c1ncccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571303217 946329477 /nfs/dbraw/zinc/32/94/77/946329477.db2.gz JZKZGZJKOZLIDJ-KBPBESRZSA-N -1 3 391.439 0.826 20 0 GCADHM CN(C)c1ncccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571303217 946329491 /nfs/dbraw/zinc/32/94/91/946329491.db2.gz JZKZGZJKOZLIDJ-KBPBESRZSA-N -1 3 391.439 0.826 20 0 GCADHM Cc1ccc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]3C2)nn1 ZINC001571303364 946333711 /nfs/dbraw/zinc/33/37/11/946333711.db2.gz PEHLODDMJCSOSP-CABCVRRESA-N -1 3 391.439 0.959 20 0 GCADHM Cc1ccc(C(=O)N2C[C@H]3CCN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)nn1 ZINC001571303364 946333725 /nfs/dbraw/zinc/33/37/25/946333725.db2.gz PEHLODDMJCSOSP-CABCVRRESA-N -1 3 391.439 0.959 20 0 GCADHM CC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573496929 946336383 /nfs/dbraw/zinc/33/63/83/946336383.db2.gz HNPXQNWWAHHVFQ-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573496929 946336396 /nfs/dbraw/zinc/33/63/96/946336396.db2.gz HNPXQNWWAHHVFQ-ZBFHGGJFSA-N -1 3 387.444 0.731 20 0 GCADHM O=C([C@@H]1CCc2cncn2C1)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001571303531 946338445 /nfs/dbraw/zinc/33/84/45/946338445.db2.gz SEJSUAXRQCSUIY-SNPRPXQTSA-N -1 3 391.439 0.510 20 0 GCADHM O=C([C@@H]1CCc2cncn2C1)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001571303531 946338456 /nfs/dbraw/zinc/33/84/56/946338456.db2.gz SEJSUAXRQCSUIY-SNPRPXQTSA-N -1 3 391.439 0.510 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000823202573 946342745 /nfs/dbraw/zinc/34/27/45/946342745.db2.gz XFOQJMDKMVMMBV-ZDUSSCGKSA-N -1 3 386.338 0.382 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000823202573 946342756 /nfs/dbraw/zinc/34/27/56/946342756.db2.gz XFOQJMDKMVMMBV-ZDUSSCGKSA-N -1 3 386.338 0.382 20 0 GCADHM CC(=O)N[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001573497310 946347260 /nfs/dbraw/zinc/34/72/60/946347260.db2.gz QBAYVPUKUYHVJB-AWEZNQCLSA-N -1 3 380.412 0.711 20 0 GCADHM CC(=O)N[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001573497310 946347272 /nfs/dbraw/zinc/34/72/72/946347272.db2.gz QBAYVPUKUYHVJB-AWEZNQCLSA-N -1 3 380.412 0.711 20 0 GCADHM CC(=O)N[C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001573497479 946347797 /nfs/dbraw/zinc/34/77/97/946347797.db2.gz RIXVQHSTBJKFGW-CZUORRHYSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573497479 946347810 /nfs/dbraw/zinc/34/78/10/946347810.db2.gz RIXVQHSTBJKFGW-CZUORRHYSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001573497478 946348530 /nfs/dbraw/zinc/34/85/30/946348530.db2.gz RIXVQHSTBJKFGW-CJNGLKHVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573497478 946348542 /nfs/dbraw/zinc/34/85/42/946348542.db2.gz RIXVQHSTBJKFGW-CJNGLKHVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)NCC(=O)N(CCN(C)c1cccc(F)c1-c1nnn[n-]1)C(C)C ZINC001573499714 946369155 /nfs/dbraw/zinc/36/91/55/946369155.db2.gz FSMXIARCGSJAQH-UHFFFAOYSA-N -1 3 377.424 0.815 20 0 GCADHM CC(=O)NCC(=O)N(CCN(C)c1cccc(F)c1-c1nn[n-]n1)C(C)C ZINC001573499714 946369169 /nfs/dbraw/zinc/36/91/69/946369169.db2.gz FSMXIARCGSJAQH-UHFFFAOYSA-N -1 3 377.424 0.815 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573499907 946371942 /nfs/dbraw/zinc/37/19/42/946371942.db2.gz HEDJIUIYCZNSDQ-AWEZNQCLSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573499907 946371952 /nfs/dbraw/zinc/37/19/52/946371952.db2.gz HEDJIUIYCZNSDQ-AWEZNQCLSA-N -1 3 375.408 0.175 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571305799 946376653 /nfs/dbraw/zinc/37/66/53/946376653.db2.gz CYVGHNFSHFESTF-NAKRPEOUSA-N -1 3 391.457 0.747 20 0 GCADHM O=C(C[C@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571306206 946390229 /nfs/dbraw/zinc/39/02/29/946390229.db2.gz IOMOYAPECJVISE-YPMHNXCESA-N -1 3 391.457 0.099 20 0 GCADHM O=C(C[C@H]1CCS(=O)(=O)C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571306206 946390240 /nfs/dbraw/zinc/39/02/40/946390240.db2.gz IOMOYAPECJVISE-YPMHNXCESA-N -1 3 391.457 0.099 20 0 GCADHM O=C(C[C@@H]1CCCS1(=O)=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571306447 946399511 /nfs/dbraw/zinc/39/95/11/946399511.db2.gz KXCVBGIGHHARBI-RYUDHWBXSA-N -1 3 391.457 0.242 20 0 GCADHM O=C(C[C@@H]1CCCS1(=O)=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571306447 946399521 /nfs/dbraw/zinc/39/95/21/946399521.db2.gz KXCVBGIGHHARBI-RYUDHWBXSA-N -1 3 391.457 0.242 20 0 GCADHM Cc1nsc(N2CCC[C@@H](NC(=O)C3=COCCO3)CC2)c1-c1nnn[n-]1 ZINC001571306477 946403148 /nfs/dbraw/zinc/40/31/48/946403148.db2.gz LNGIPCLQYUYSAB-LLVKDONJSA-N -1 3 391.457 0.995 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@](C)(CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573504004 946404763 /nfs/dbraw/zinc/40/47/63/946404763.db2.gz DNSRNXOAEVYVPF-OAHLLOKOSA-N -1 3 378.462 0.418 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573504080 946406130 /nfs/dbraw/zinc/40/61/30/946406130.db2.gz FUTKHTTYDCTMNX-CMPLNLGQSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573504080 946406135 /nfs/dbraw/zinc/40/61/35/946406135.db2.gz FUTKHTTYDCTMNX-CMPLNLGQSA-N -1 3 390.423 0.433 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573504751 946415529 /nfs/dbraw/zinc/41/55/29/946415529.db2.gz JFCJQVRKFFVQOO-RISCZKNCSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573504751 946415542 /nfs/dbraw/zinc/41/55/42/946415542.db2.gz JFCJQVRKFFVQOO-RISCZKNCSA-N -1 3 386.460 0.603 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573505123 946417057 /nfs/dbraw/zinc/41/70/57/946417057.db2.gz JZBISDYMHLASPE-LSDHHAIUSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@H]1CCN2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573505123 946417065 /nfs/dbraw/zinc/41/70/65/946417065.db2.gz JZBISDYMHLASPE-LSDHHAIUSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573505120 946417930 /nfs/dbraw/zinc/41/79/30/946417930.db2.gz JZBISDYMHLASPE-GJZGRUSLSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573505120 946417934 /nfs/dbraw/zinc/41/79/34/946417934.db2.gz JZBISDYMHLASPE-GJZGRUSLSA-N -1 3 384.444 0.276 20 0 GCADHM O=C([C@H]1CCCCS1(=O)=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571307154 946418111 /nfs/dbraw/zinc/41/81/11/946418111.db2.gz YNMJYZBSMDGRBW-DGCLKSJQSA-N -1 3 391.457 0.242 20 0 GCADHM O=C([C@H]1CCCCS1(=O)=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571307154 946418117 /nfs/dbraw/zinc/41/81/17/946418117.db2.gz YNMJYZBSMDGRBW-DGCLKSJQSA-N -1 3 391.457 0.242 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573505355 946419741 /nfs/dbraw/zinc/41/97/41/946419741.db2.gz MQGNRTZZTCGCMK-NSHDSACASA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573505355 946419748 /nfs/dbraw/zinc/41/97/48/946419748.db2.gz MQGNRTZZTCGCMK-NSHDSACASA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@](C)(CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573505312 946419817 /nfs/dbraw/zinc/41/98/17/946419817.db2.gz MFBBBNLPOQDKKY-QGZVFWFLSA-N -1 3 375.408 0.792 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@](C)(CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573505312 946419822 /nfs/dbraw/zinc/41/98/22/946419822.db2.gz MFBBBNLPOQDKKY-QGZVFWFLSA-N -1 3 375.408 0.792 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(Cc2ccco2)CC1 ZINC000823396091 946423466 /nfs/dbraw/zinc/42/34/66/946423466.db2.gz FLDYXPNKZKRBFV-UHFFFAOYSA-N -1 3 385.384 0.289 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(Cc2ccco2)CC1 ZINC000823396091 946423472 /nfs/dbraw/zinc/42/34/72/946423472.db2.gz FLDYXPNKZKRBFV-UHFFFAOYSA-N -1 3 385.384 0.289 20 0 GCADHM CN1CCn2nc(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)cc2S1(=O)=O ZINC001571307767 946424846 /nfs/dbraw/zinc/42/48/46/946424846.db2.gz HDQLNNHZGPKDMH-UHFFFAOYSA-N -1 3 392.376 0.089 20 0 GCADHM CN1CCn2nc(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)cc2S1(=O)=O ZINC001571307767 946424855 /nfs/dbraw/zinc/42/48/55/946424855.db2.gz HDQLNNHZGPKDMH-UHFFFAOYSA-N -1 3 392.376 0.089 20 0 GCADHM COC(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001571307879 946426250 /nfs/dbraw/zinc/42/62/50/946426250.db2.gz IROKQFBIFIMRHU-UHFFFAOYSA-N -1 3 392.372 0.666 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](N(C)Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573506287 946431106 /nfs/dbraw/zinc/43/11/06/946431106.db2.gz PAJOFMWEKZELEG-HNNXBMFYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573506434 946434856 /nfs/dbraw/zinc/43/48/56/946434856.db2.gz SHLWBTCHXBFWES-NSHDSACASA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573506434 946434860 /nfs/dbraw/zinc/43/48/60/946434860.db2.gz SHLWBTCHXBFWES-NSHDSACASA-N -1 3 378.824 0.088 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@]2(CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001573506767 946437103 /nfs/dbraw/zinc/43/71/03/946437103.db2.gz TWDXCDCZNCCKNH-GOSISDBHSA-N -1 3 384.444 0.135 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@]2(CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001573506767 946437110 /nfs/dbraw/zinc/43/71/10/946437110.db2.gz TWDXCDCZNCCKNH-GOSISDBHSA-N -1 3 384.444 0.135 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H]2[C@H](CCN2c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573506766 946437351 /nfs/dbraw/zinc/43/73/51/946437351.db2.gz TVUSXQXNOREDJD-VXGBXAGGSA-N -1 3 390.473 0.195 20 0 GCADHM O=S(=O)(CCN1CCN(c2ccccn2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823562892 946447134 /nfs/dbraw/zinc/44/71/34/946447134.db2.gz WNPWTPNSMHLMTB-UHFFFAOYSA-N -1 3 399.480 0.858 20 0 GCADHM O=S(=O)(CCN1CCN(c2ccccn2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823562892 946447144 /nfs/dbraw/zinc/44/71/44/946447144.db2.gz WNPWTPNSMHLMTB-UHFFFAOYSA-N -1 3 399.480 0.858 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)cn2)ccc1=O ZINC001571309495 946447625 /nfs/dbraw/zinc/44/76/25/946447625.db2.gz BMZNFEDEGVKVJS-KFWWJZLASA-N -1 3 392.423 0.500 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)cn2)ccc1=O ZINC001571309495 946447635 /nfs/dbraw/zinc/44/76/35/946447635.db2.gz BMZNFEDEGVKVJS-KFWWJZLASA-N -1 3 392.423 0.500 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(C)cc2=O)n1 ZINC001571309583 946448881 /nfs/dbraw/zinc/44/88/81/946448881.db2.gz DUIJWHXUESBBBF-FOLVSLTJSA-N -1 3 392.423 0.431 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(C)cc2=O)n1 ZINC001571309583 946448888 /nfs/dbraw/zinc/44/88/88/946448888.db2.gz DUIJWHXUESBBBF-FOLVSLTJSA-N -1 3 392.423 0.431 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823567897 946448949 /nfs/dbraw/zinc/44/89/49/946448949.db2.gz XMPFCXMPKHBVRW-HNNXBMFYSA-N -1 3 392.485 0.351 20 0 GCADHM Cn1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)C2)nn1 ZINC001571309585 946449034 /nfs/dbraw/zinc/44/90/34/946449034.db2.gz DVUPQRDIHWBHEC-SNVBAGLBSA-N -1 3 392.420 0.703 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CC[C@@H]21 ZINC001573507706 946449109 /nfs/dbraw/zinc/44/91/09/946449109.db2.gz WZHZFQVYZHKWJE-CABCVRRESA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CC[C@@H]21 ZINC001573507706 946449115 /nfs/dbraw/zinc/44/91/15/946449115.db2.gz WZHZFQVYZHKWJE-CABCVRRESA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573507757 946452145 /nfs/dbraw/zinc/45/21/45/946452145.db2.gz XWSUXTWCVNGUIF-LBPRGKRZSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573507757 946452147 /nfs/dbraw/zinc/45/21/47/946452147.db2.gz XWSUXTWCVNGUIF-LBPRGKRZSA-N -1 3 375.408 0.569 20 0 GCADHM Cc1ccncc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571309735 946452588 /nfs/dbraw/zinc/45/25/88/946452588.db2.gz IZCMRMUATHTJAC-QKDCVEJESA-N -1 3 392.423 0.646 20 0 GCADHM Cc1ccncc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571309735 946452595 /nfs/dbraw/zinc/45/25/95/946452595.db2.gz IZCMRMUATHTJAC-QKDCVEJESA-N -1 3 392.423 0.646 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573508143 946452940 /nfs/dbraw/zinc/45/29/40/946452940.db2.gz YIJQCZBHKGVYLO-KGLIPLIRSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573508143 946452951 /nfs/dbraw/zinc/45/29/51/946452951.db2.gz YIJQCZBHKGVYLO-KGLIPLIRSA-N -1 3 384.444 0.276 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823606796 946453456 /nfs/dbraw/zinc/45/34/56/946453456.db2.gz MYUNNZZPZMOHSD-CYBMUJFWSA-N -1 3 378.458 0.210 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823606796 946453463 /nfs/dbraw/zinc/45/34/63/946453463.db2.gz MYUNNZZPZMOHSD-CYBMUJFWSA-N -1 3 378.458 0.210 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823614853 946454940 /nfs/dbraw/zinc/45/49/40/946454940.db2.gz UJDUYLLHEYOREB-KBPBESRZSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823614853 946454946 /nfs/dbraw/zinc/45/49/46/946454946.db2.gz UJDUYLLHEYOREB-KBPBESRZSA-N -1 3 397.482 0.597 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)c3ccc(C(N)=O)cc3)C2)n1 ZINC001571309825 946455134 /nfs/dbraw/zinc/45/51/34/946455134.db2.gz LXQPKCMBTBLQTA-AWEZNQCLSA-N -1 3 392.423 0.678 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)c3ccc(C(N)=O)cc3)C2)n1 ZINC001571309825 946455140 /nfs/dbraw/zinc/45/51/40/946455140.db2.gz LXQPKCMBTBLQTA-AWEZNQCLSA-N -1 3 392.423 0.678 20 0 GCADHM NC(=O)c1ccnc(C(=O)NC[C@H]2CCN2Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001571309853 946455455 /nfs/dbraw/zinc/45/54/55/946455455.db2.gz MUWNYHKQCGHSEV-OAHLLOKOSA-N -1 3 392.423 0.365 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@@H](C)C1 ZINC001573508367 946455659 /nfs/dbraw/zinc/45/56/59/946455659.db2.gz ZUPOHGXYPVILJM-ZANVPECISA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@@H](C)C1 ZINC001573508367 946455670 /nfs/dbraw/zinc/45/56/70/946455670.db2.gz ZUPOHGXYPVILJM-ZANVPECISA-N -1 3 376.396 0.186 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823614858 946456191 /nfs/dbraw/zinc/45/61/91/946456191.db2.gz UJDUYLLHEYOREB-UONOGXRCSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823614858 946456197 /nfs/dbraw/zinc/45/61/97/946456197.db2.gz UJDUYLLHEYOREB-UONOGXRCSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823614855 946456226 /nfs/dbraw/zinc/45/62/26/946456226.db2.gz UJDUYLLHEYOREB-KGLIPLIRSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823614855 946456231 /nfs/dbraw/zinc/45/62/31/946456231.db2.gz UJDUYLLHEYOREB-KGLIPLIRSA-N -1 3 397.482 0.597 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)ccc1=O ZINC001571310054 946462409 /nfs/dbraw/zinc/46/24/09/946462409.db2.gz TVXHMIUUCTZGSL-KCXAZCMYSA-N -1 3 392.423 0.500 20 0 GCADHM Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)ccc1=O ZINC001571310054 946462413 /nfs/dbraw/zinc/46/24/13/946462413.db2.gz TVXHMIUUCTZGSL-KCXAZCMYSA-N -1 3 392.423 0.500 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573509626 946463902 /nfs/dbraw/zinc/46/39/02/946463902.db2.gz PQTCTSZRYWVCCC-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573509626 946463913 /nfs/dbraw/zinc/46/39/13/946463913.db2.gz PQTCTSZRYWVCCC-CQSZACIVSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573510087 946471864 /nfs/dbraw/zinc/47/18/64/946471864.db2.gz YNVRSHVXFWFZDX-LBPRGKRZSA-N -1 3 392.489 0.585 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573511522 946487344 /nfs/dbraw/zinc/48/73/44/946487344.db2.gz BAXHLAVPXXZMGJ-ZWNOBZJWSA-N -1 3 392.851 0.748 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573511522 946487351 /nfs/dbraw/zinc/48/73/51/946487351.db2.gz BAXHLAVPXXZMGJ-ZWNOBZJWSA-N -1 3 392.851 0.748 20 0 GCADHM CC(=O)NCC(=O)NC1CC2(C1)CC(Nc1nc(C)ccc1-c1nnn[n-]1)C2 ZINC001573511504 946487550 /nfs/dbraw/zinc/48/75/50/946487550.db2.gz AXIMPNLXYWEAHM-UHFFFAOYSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)NC1CC2(C1)CC(Nc1nc(C)ccc1-c1nn[n-]n1)C2 ZINC001573511504 946487554 /nfs/dbraw/zinc/48/75/54/946487554.db2.gz AXIMPNLXYWEAHM-UHFFFAOYSA-N -1 3 384.444 0.546 20 0 GCADHM CCOC(=O)[C@H](CSC)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571311566 946489834 /nfs/dbraw/zinc/48/98/34/946489834.db2.gz ZYDBNJCQIXGWKB-LBPRGKRZSA-N -1 3 392.441 0.007 20 0 GCADHM CCOC(=O)[C@H](CSC)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571311566 946489842 /nfs/dbraw/zinc/48/98/42/946489842.db2.gz ZYDBNJCQIXGWKB-LBPRGKRZSA-N -1 3 392.441 0.007 20 0 GCADHM Nc1nccnc1C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571312487 946493194 /nfs/dbraw/zinc/49/31/94/946493194.db2.gz FUDNYGAZBDQBFZ-VOJFVSQTSA-N -1 3 392.427 0.423 20 0 GCADHM Nc1nccnc1C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571312487 946493200 /nfs/dbraw/zinc/49/32/00/946493200.db2.gz FUDNYGAZBDQBFZ-VOJFVSQTSA-N -1 3 392.427 0.423 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2Cc3ccncc3C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571312470 946493883 /nfs/dbraw/zinc/49/38/83/946493883.db2.gz FCBKEYGNBVYKDQ-MRVWCRGKSA-N -1 3 392.423 0.382 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2Cc3ccncc3C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571312470 946493889 /nfs/dbraw/zinc/49/38/89/946493889.db2.gz FCBKEYGNBVYKDQ-MRVWCRGKSA-N -1 3 392.423 0.382 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571312465 946494326 /nfs/dbraw/zinc/49/43/26/946494326.db2.gz DUFMPNCUOMBTSI-KGLIPLIRSA-N -1 3 392.423 0.961 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571312465 946494333 /nfs/dbraw/zinc/49/43/33/946494333.db2.gz DUFMPNCUOMBTSI-KGLIPLIRSA-N -1 3 392.423 0.961 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001573512199 946495129 /nfs/dbraw/zinc/49/51/29/946495129.db2.gz VXJLUGZUKQZKMC-LBPRGKRZSA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001573512199 946495131 /nfs/dbraw/zinc/49/51/31/946495131.db2.gz VXJLUGZUKQZKMC-LBPRGKRZSA-N -1 3 378.412 0.480 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573512436 946497484 /nfs/dbraw/zinc/49/74/84/946497484.db2.gz FZHGTVSQLQLTKO-NEPJUHHUSA-N -1 3 392.489 0.855 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573512437 946498963 /nfs/dbraw/zinc/49/89/63/946498963.db2.gz FZHGTVSQLQLTKO-NWDGAFQWSA-N -1 3 392.489 0.855 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573512687 946502596 /nfs/dbraw/zinc/50/25/96/946502596.db2.gz ZONVFYVAXHOJAD-JTQLQIEISA-N -1 3 375.408 0.078 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573513282 946509954 /nfs/dbraw/zinc/50/99/54/946509954.db2.gz MICTZSNABXGICS-NWDGAFQWSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573513282 946509967 /nfs/dbraw/zinc/50/99/67/946509967.db2.gz MICTZSNABXGICS-NWDGAFQWSA-N -1 3 375.408 0.839 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573513296 946510041 /nfs/dbraw/zinc/51/00/41/946510041.db2.gz MIEJFAGEOMHKRV-SMDDNHRTSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573513484 946513519 /nfs/dbraw/zinc/51/35/19/946513519.db2.gz NLLILVXWXTURHV-DZGCQCFKSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573513484 946513526 /nfs/dbraw/zinc/51/35/26/946513526.db2.gz NLLILVXWXTURHV-DZGCQCFKSA-N -1 3 386.460 0.793 20 0 GCADHM CC(=O)NCC(=O)NC1CCC(Nc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573513884 946515864 /nfs/dbraw/zinc/51/58/64/946515864.db2.gz QQJRPNBDHYLSGA-UHFFFAOYSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)NCC(=O)NC1CCC(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573513884 946515869 /nfs/dbraw/zinc/51/58/69/946515869.db2.gz QQJRPNBDHYLSGA-UHFFFAOYSA-N -1 3 392.851 0.891 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C12CCC2 ZINC001573513784 946516035 /nfs/dbraw/zinc/51/60/35/946516035.db2.gz QGSFXZAQEIPYAL-CHWSQXEVSA-N -1 3 388.407 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C12CCC2 ZINC001573513784 946516041 /nfs/dbraw/zinc/51/60/41/946516041.db2.gz QGSFXZAQEIPYAL-CHWSQXEVSA-N -1 3 388.407 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@H]1C ZINC001573513968 946518115 /nfs/dbraw/zinc/51/81/15/946518115.db2.gz RYRFRRNZDPWWBN-ZBEGNZNMSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@@H]1C ZINC001573513965 946518811 /nfs/dbraw/zinc/51/88/11/946518811.db2.gz RYRFRRNZDPWWBN-BZNIZROVSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NCC(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573514211 946524187 /nfs/dbraw/zinc/52/41/87/946524187.db2.gz VGRSPFPDZPSBLJ-UHFFFAOYSA-N -1 3 378.824 0.358 20 0 GCADHM CC(=O)NCC(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573514211 946524198 /nfs/dbraw/zinc/52/41/98/946524198.db2.gz VGRSPFPDZPSBLJ-UHFFFAOYSA-N -1 3 378.824 0.358 20 0 GCADHM CN1CCN(Cc2cccc(C(=O)NCc3ccnc(-c4nnn[n-]4)c3)c2)CC1 ZINC001571313825 946535902 /nfs/dbraw/zinc/53/59/02/946535902.db2.gz WURQKHLIUWXELL-UHFFFAOYSA-N -1 3 392.467 0.939 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)CC1(C)C ZINC001573515342 946542456 /nfs/dbraw/zinc/54/24/56/946542456.db2.gz LBLHWFNKGSVGSI-LLVKDONJSA-N -1 3 392.489 0.489 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@H]1C ZINC001573515614 946545008 /nfs/dbraw/zinc/54/50/08/946545008.db2.gz NNYRCROBRPYFCM-GWCFXTLKSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@H]1C ZINC001573515614 946545014 /nfs/dbraw/zinc/54/50/14/946545014.db2.gz NNYRCROBRPYFCM-GWCFXTLKSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1(C)C ZINC001573515491 946545398 /nfs/dbraw/zinc/54/53/98/946545398.db2.gz NDVKZRGWQXJXBR-AWEZNQCLSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1(C)C ZINC001573515491 946545413 /nfs/dbraw/zinc/54/54/13/946545413.db2.gz NDVKZRGWQXJXBR-AWEZNQCLSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000824014072 946546415 /nfs/dbraw/zinc/54/64/15/946546415.db2.gz CWHXEDXGRRVAPN-UHFFFAOYSA-N -1 3 390.411 0.834 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCN(c3ccc4nncn4n3)CC2)c1 ZINC000824014072 946546420 /nfs/dbraw/zinc/54/64/20/946546420.db2.gz CWHXEDXGRRVAPN-UHFFFAOYSA-N -1 3 390.411 0.834 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1(C)C ZINC001573515936 946553095 /nfs/dbraw/zinc/55/30/95/946553095.db2.gz SNFXNPVDZCJFAU-CQSZACIVSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1(C)C ZINC001573515936 946553102 /nfs/dbraw/zinc/55/31/02/946553102.db2.gz SNFXNPVDZCJFAU-CQSZACIVSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000824015422 946555101 /nfs/dbraw/zinc/55/51/01/946555101.db2.gz UHWONDCARUJKLF-UHFFFAOYSA-N -1 3 383.456 0.814 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCN(CC(=O)N3CCCC3)CC2)c1 ZINC000824015422 946555110 /nfs/dbraw/zinc/55/51/10/946555110.db2.gz UHWONDCARUJKLF-UHFFFAOYSA-N -1 3 383.456 0.814 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001573516131 946556690 /nfs/dbraw/zinc/55/66/90/946556690.db2.gz VAFIJTAQGORXFR-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001573516131 946556698 /nfs/dbraw/zinc/55/66/98/946556698.db2.gz VAFIJTAQGORXFR-AWEZNQCLSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H](C(=O)NC(=O)NC1CC1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824041025 946563826 /nfs/dbraw/zinc/56/38/26/946563826.db2.gz XCWAHJCTABVTTF-IAQYHMDHSA-N -1 3 385.428 0.617 20 0 GCADHM C[C@H](C(=O)NC(=O)NC1CC1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824041025 946563835 /nfs/dbraw/zinc/56/38/35/946563835.db2.gz XCWAHJCTABVTTF-IAQYHMDHSA-N -1 3 385.428 0.617 20 0 GCADHM CC(=O)NCC(=O)NC[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573517366 946572758 /nfs/dbraw/zinc/57/27/58/946572758.db2.gz IRIBHUCJUICOMT-NSHDSACASA-N -1 3 378.462 0.100 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573517480 946573583 /nfs/dbraw/zinc/57/35/83/946573583.db2.gz LDCPNONXPSSACJ-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573517480 946573590 /nfs/dbraw/zinc/57/35/90/946573590.db2.gz LDCPNONXPSSACJ-CQSZACIVSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573517507 946574311 /nfs/dbraw/zinc/57/43/11/946574311.db2.gz LSYUWBYZEHFIRL-INIZCTEOSA-N -1 3 392.489 0.490 20 0 GCADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573517508 946574388 /nfs/dbraw/zinc/57/43/88/946574388.db2.gz LSYUWBYZEHFIRL-MRXNPFEDSA-N -1 3 392.489 0.490 20 0 GCADHM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573520307 946595491 /nfs/dbraw/zinc/59/54/91/946595491.db2.gz ICBATGIDIAFNNT-RDTXWAMCSA-N -1 3 384.444 0.263 20 0 GCADHM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573520307 946595500 /nfs/dbraw/zinc/59/55/00/946595500.db2.gz ICBATGIDIAFNNT-RDTXWAMCSA-N -1 3 384.444 0.263 20 0 GCADHM CC(=O)NCC(=O)NCCN(Cc1cc(-c2nn[n-]n2)ccc1F)C1CC1 ZINC001573521136 946603867 /nfs/dbraw/zinc/60/38/67/946603867.db2.gz RJLQRVZTWRHZRV-UHFFFAOYSA-N -1 3 375.408 0.223 20 0 GCADHM Cc1nsc(N2CCC[C@@H](NC(=O)CN3CCOCC3)C2)c1-c1nnn[n-]1 ZINC001571317442 946611395 /nfs/dbraw/zinc/61/13/95/946611395.db2.gz HZPRVIYLERRXFM-GFCCVEGCSA-N -1 3 392.489 0.049 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573521696 946611730 /nfs/dbraw/zinc/61/17/30/946611730.db2.gz AVATUHRVLWUYNL-RTXFEEFZSA-N -1 3 390.835 0.277 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573521696 946611737 /nfs/dbraw/zinc/61/17/37/946611737.db2.gz AVATUHRVLWUYNL-RTXFEEFZSA-N -1 3 390.835 0.277 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2csc(Cl)n2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571317451 946611752 /nfs/dbraw/zinc/61/17/52/946611752.db2.gz ISXDSKRZMILBRF-QMMMGPOBSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2csc(Cl)n2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571317451 946611759 /nfs/dbraw/zinc/61/17/59/946611759.db2.gz ISXDSKRZMILBRF-QMMMGPOBSA-N -1 3 392.832 0.949 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573521814 946612606 /nfs/dbraw/zinc/61/26/06/946612606.db2.gz ICCYMNSXLNGZNN-CRAIPNDOSA-N -1 3 392.423 0.592 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573521814 946612611 /nfs/dbraw/zinc/61/26/11/946612611.db2.gz ICCYMNSXLNGZNN-CRAIPNDOSA-N -1 3 392.423 0.592 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1csc(Cl)n1 ZINC001571317606 946616262 /nfs/dbraw/zinc/61/62/62/946616262.db2.gz OENZFBFEHDBIBH-MRVPVSSYSA-N -1 3 392.832 0.949 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1csc(Cl)n1 ZINC001571317606 946616271 /nfs/dbraw/zinc/61/62/71/946616271.db2.gz OENZFBFEHDBIBH-MRVPVSSYSA-N -1 3 392.832 0.949 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573521877 946616470 /nfs/dbraw/zinc/61/64/70/946616470.db2.gz MMTXXHIPOYBKHM-LLVKDONJSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573521877 946616477 /nfs/dbraw/zinc/61/64/77/946616477.db2.gz MMTXXHIPOYBKHM-LLVKDONJSA-N -1 3 386.460 0.427 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573522028 946620845 /nfs/dbraw/zinc/62/08/45/946620845.db2.gz WAHIRMYQVIIKLY-XYPYZODXSA-N -1 3 378.462 0.607 20 0 GCADHM CC(C)[C@@H]1C[C@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571317772 946621477 /nfs/dbraw/zinc/62/14/77/946621477.db2.gz VEBXZSKJYYRSQR-ZLDLUXBVSA-N -1 3 392.485 0.942 20 0 GCADHM CC(C)[C@@H]1C[C@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571317772 946621484 /nfs/dbraw/zinc/62/14/84/946621484.db2.gz VEBXZSKJYYRSQR-ZLDLUXBVSA-N -1 3 392.485 0.942 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(c1cccc(F)c1-c1nnn[n-]1)C2 ZINC001573522214 946622217 /nfs/dbraw/zinc/62/22/17/946622217.db2.gz CHTMXGPUQRLDGJ-SGTLLEGYSA-N -1 3 387.419 0.617 20 0 GCADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(c1cccc(F)c1-c1nn[n-]n1)C2 ZINC001573522214 946622226 /nfs/dbraw/zinc/62/22/26/946622226.db2.gz CHTMXGPUQRLDGJ-SGTLLEGYSA-N -1 3 387.419 0.617 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573522354 946625529 /nfs/dbraw/zinc/62/55/29/946625529.db2.gz DFNSGCMBBYOMTI-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573522354 946625532 /nfs/dbraw/zinc/62/55/32/946625532.db2.gz DFNSGCMBBYOMTI-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573522746 946629398 /nfs/dbraw/zinc/62/93/98/946629398.db2.gz JNJSKCHCERYPPX-RISCZKNCSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573522746 946629401 /nfs/dbraw/zinc/62/94/01/946629401.db2.gz JNJSKCHCERYPPX-RISCZKNCSA-N -1 3 386.460 0.683 20 0 GCADHM CC(C)C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1nc(-c2nc[nH]n2)no1 ZINC000824236217 946630569 /nfs/dbraw/zinc/63/05/69/946630569.db2.gz NCVZNRIMWHBOKV-SNVBAGLBSA-N -1 3 383.376 0.880 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573523241 946634620 /nfs/dbraw/zinc/63/46/20/946634620.db2.gz PXYLBKMAWAEGIZ-LBPRGKRZSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573523241 946634626 /nfs/dbraw/zinc/63/46/26/946634626.db2.gz PXYLBKMAWAEGIZ-LBPRGKRZSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573524111 946640536 /nfs/dbraw/zinc/64/05/36/946640536.db2.gz ZTZXEKXZVZREPN-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573524111 946640546 /nfs/dbraw/zinc/64/05/46/946640546.db2.gz ZTZXEKXZVZREPN-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573524092 946641841 /nfs/dbraw/zinc/64/18/41/946641841.db2.gz ZGXOYSSIFKCIIB-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573524092 946641847 /nfs/dbraw/zinc/64/18/47/946641847.db2.gz ZGXOYSSIFKCIIB-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001573527728 946646478 /nfs/dbraw/zinc/64/64/78/946646478.db2.gz GAGRJLWPKRUXPV-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001573527728 946646483 /nfs/dbraw/zinc/64/64/83/946646483.db2.gz GAGRJLWPKRUXPV-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(c3nc4ccccn4c3-c3nnn[n-]3)C2)C1=O ZINC000824296363 946647120 /nfs/dbraw/zinc/64/71/20/946647120.db2.gz GOKWHMLGHWMJFJ-QGZVFWFLSA-N -1 3 381.400 0.424 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(c3nc4ccccn4c3-c3nn[n-]n3)C2)C1=O ZINC000824296363 946647125 /nfs/dbraw/zinc/64/71/25/946647125.db2.gz GOKWHMLGHWMJFJ-QGZVFWFLSA-N -1 3 381.400 0.424 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573527777 946648497 /nfs/dbraw/zinc/64/84/97/946648497.db2.gz HSSSSSDNCJEGDO-ZDUSSCGKSA-N -1 3 386.460 0.367 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573527777 946648503 /nfs/dbraw/zinc/64/85/03/946648503.db2.gz HSSSSSDNCJEGDO-ZDUSSCGKSA-N -1 3 386.460 0.367 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573527895 946650836 /nfs/dbraw/zinc/65/08/36/946650836.db2.gz LFVNGOLESLTVJH-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573527895 946650842 /nfs/dbraw/zinc/65/08/42/946650842.db2.gz LFVNGOLESLTVJH-UHFFFAOYSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000824315735 946653536 /nfs/dbraw/zinc/65/35/36/946653536.db2.gz WRHVGQRYIYDPPM-UHFFFAOYSA-N -1 3 381.462 0.139 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000824315735 946653542 /nfs/dbraw/zinc/65/35/42/946653542.db2.gz WRHVGQRYIYDPPM-UHFFFAOYSA-N -1 3 381.462 0.139 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573528182 946658103 /nfs/dbraw/zinc/65/81/03/946658103.db2.gz XNRLIQJIIXIKIQ-OAHLLOKOSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573528182 946658110 /nfs/dbraw/zinc/65/81/10/946658110.db2.gz XNRLIQJIIXIKIQ-OAHLLOKOSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@H]1C(F)(F)F ZINC001573529086 946671820 /nfs/dbraw/zinc/67/18/20/946671820.db2.gz JKRRGNVLMVDCNA-WDEREUQCSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@H]1C(F)(F)F ZINC001573529086 946671825 /nfs/dbraw/zinc/67/18/25/946671825.db2.gz JKRRGNVLMVDCNA-WDEREUQCSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NCCN(Cc1cc(-c2nnn[n-]2)ccn1)[C@H](C)C(=O)OC(C)(C)C ZINC001573529512 946675192 /nfs/dbraw/zinc/67/51/92/946675192.db2.gz NJZRXWVHUCGNKM-GFCCVEGCSA-N -1 3 389.460 0.930 20 0 GCADHM CC(=O)NCCN(Cc1cc(-c2nn[n-]n2)ccn1)[C@H](C)C(=O)OC(C)(C)C ZINC001573529512 946675199 /nfs/dbraw/zinc/67/51/99/946675199.db2.gz NJZRXWVHUCGNKM-GFCCVEGCSA-N -1 3 389.460 0.930 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1C(F)(F)F ZINC001573529470 946675596 /nfs/dbraw/zinc/67/55/96/946675596.db2.gz MMAZYVHKYTXONN-ZJUUUORDSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C(F)(F)F ZINC001573529470 946675602 /nfs/dbraw/zinc/67/56/02/946675602.db2.gz MMAZYVHKYTXONN-ZJUUUORDSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](CCO)C1(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000824406128 946685192 /nfs/dbraw/zinc/68/51/92/946685192.db2.gz DCYGNIRFPLLMFY-ZDUSSCGKSA-N -1 3 386.456 0.902 20 0 GCADHM C[C@@H](CCO)C1(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000824406128 946685201 /nfs/dbraw/zinc/68/52/01/946685201.db2.gz DCYGNIRFPLLMFY-ZDUSSCGKSA-N -1 3 386.456 0.902 20 0 GCADHM CC(=O)NCCN(C)C(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573530294 946692138 /nfs/dbraw/zinc/69/21/38/946692138.db2.gz XLYDFNUZGGLOPH-UHFFFAOYSA-N -1 3 383.416 0.711 20 0 GCADHM CC(=O)NCCN(C)C(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573530294 946692150 /nfs/dbraw/zinc/69/21/50/946692150.db2.gz XLYDFNUZGGLOPH-UHFFFAOYSA-N -1 3 383.416 0.711 20 0 GCADHM CC(=O)NCc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001573533148 946709565 /nfs/dbraw/zinc/70/95/65/946709565.db2.gz JCVXRHFIRREGOX-UHFFFAOYSA-N -1 3 387.425 0.376 20 0 GCADHM CC(=O)NCc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001573533148 946709572 /nfs/dbraw/zinc/70/95/72/946709572.db2.gz JCVXRHFIRREGOX-UHFFFAOYSA-N -1 3 387.425 0.376 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573535345 946721636 /nfs/dbraw/zinc/72/16/36/946721636.db2.gz CSLQTVQUUXPEJU-LDZOIKDWSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573535345 946721644 /nfs/dbraw/zinc/72/16/44/946721644.db2.gz CSLQTVQUUXPEJU-LDZOIKDWSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573535346 946722013 /nfs/dbraw/zinc/72/20/13/946722013.db2.gz CSLQTVQUUXPEJU-XNRPHZJLSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573535346 946722020 /nfs/dbraw/zinc/72/20/20/946722020.db2.gz CSLQTVQUUXPEJU-XNRPHZJLSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1)C(C)C ZINC001573535308 946722800 /nfs/dbraw/zinc/72/28/00/946722800.db2.gz BLLXMOJCLLTJAI-MRXNPFEDSA-N -1 3 389.435 0.467 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)C(C)C ZINC001573535308 946722811 /nfs/dbraw/zinc/72/28/11/946722811.db2.gz BLLXMOJCLLTJAI-MRXNPFEDSA-N -1 3 389.435 0.467 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)C ZINC001573535295 946722951 /nfs/dbraw/zinc/72/29/51/946722951.db2.gz BBOBYAWCZXXWRH-OAHLLOKOSA-N -1 3 391.501 0.637 20 0 GCADHM C[C@H](NC(=O)[C@@H](CO)NC(N)=O)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824472461 946725559 /nfs/dbraw/zinc/72/55/59/946725559.db2.gz WGRFTMRKDVWEAL-MEDUHNTESA-N -1 3 395.423 0.740 20 0 GCADHM C[C@H](NC(=O)[C@@H](CO)NC(N)=O)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824472461 946725568 /nfs/dbraw/zinc/72/55/68/946725568.db2.gz WGRFTMRKDVWEAL-MEDUHNTESA-N -1 3 395.423 0.740 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573535961 946728181 /nfs/dbraw/zinc/72/81/81/946728181.db2.gz LXOZFRRQPAEHAN-DZGCQCFKSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573535961 946728189 /nfs/dbraw/zinc/72/81/89/946728189.db2.gz LXOZFRRQPAEHAN-DZGCQCFKSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573536147 946729813 /nfs/dbraw/zinc/72/98/13/946729813.db2.gz QBNYZEDXPIJEFA-XNRPHZJLSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573536147 946729823 /nfs/dbraw/zinc/72/98/23/946729823.db2.gz QBNYZEDXPIJEFA-XNRPHZJLSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)C ZINC001573536098 946730572 /nfs/dbraw/zinc/73/05/72/946730572.db2.gz OWQSBKKPBUVOGW-TVQRCGJNSA-N -1 3 378.412 0.478 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)C ZINC001573536098 946730584 /nfs/dbraw/zinc/73/05/84/946730584.db2.gz OWQSBKKPBUVOGW-TVQRCGJNSA-N -1 3 378.412 0.478 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)C(C)C ZINC001573536571 946737089 /nfs/dbraw/zinc/73/70/89/946737089.db2.gz XVJJENMUGKFYJS-YRGRVCCFSA-N -1 3 390.423 0.621 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)C(C)C ZINC001573536571 946737095 /nfs/dbraw/zinc/73/70/95/946737095.db2.gz XVJJENMUGKFYJS-YRGRVCCFSA-N -1 3 390.423 0.621 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573536536 946738239 /nfs/dbraw/zinc/73/82/39/946738239.db2.gz XHXPBXBBOZEOCP-UMVBOHGHSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573536536 946738257 /nfs/dbraw/zinc/73/82/57/946738257.db2.gz XHXPBXBBOZEOCP-UMVBOHGHSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573536633 946738455 /nfs/dbraw/zinc/73/84/55/946738455.db2.gz ZTMWOTKUWOGOII-GDBMZVCRSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573536633 946738463 /nfs/dbraw/zinc/73/84/63/946738463.db2.gz ZTMWOTKUWOGOII-GDBMZVCRSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)C ZINC001573536710 946741021 /nfs/dbraw/zinc/74/10/21/946741021.db2.gz AOVJBECGBIQTCS-GOEBONIOSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)C ZINC001573536710 946741030 /nfs/dbraw/zinc/74/10/30/946741030.db2.gz AOVJBECGBIQTCS-GOEBONIOSA-N -1 3 386.460 0.460 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573537472 946749297 /nfs/dbraw/zinc/74/92/97/946749297.db2.gz CIQZBRJHMVDWLS-KKUMJFAQSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573537472 946749305 /nfs/dbraw/zinc/74/93/05/946749305.db2.gz CIQZBRJHMVDWLS-KKUMJFAQSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573537585 946752138 /nfs/dbraw/zinc/75/21/38/946752138.db2.gz GBEDMAQTLFTZCP-HIFRSBDPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573537585 946752145 /nfs/dbraw/zinc/75/21/45/946752145.db2.gz GBEDMAQTLFTZCP-HIFRSBDPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1)C(C)C ZINC001573537548 946752540 /nfs/dbraw/zinc/75/25/40/946752540.db2.gz OEMQCYGCKYUULF-MRXNPFEDSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1)C(C)C ZINC001573537548 946752550 /nfs/dbraw/zinc/75/25/50/946752550.db2.gz OEMQCYGCKYUULF-MRXNPFEDSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001573537587 946752658 /nfs/dbraw/zinc/75/26/58/946752658.db2.gz GBRUOYAWLHMZEP-DOMZBBRYSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001573537587 946752664 /nfs/dbraw/zinc/75/26/64/946752664.db2.gz GBRUOYAWLHMZEP-DOMZBBRYSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573537666 946756341 /nfs/dbraw/zinc/75/63/41/946756341.db2.gz IUBIYDWBQQMSNH-CABCVRRESA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573537666 946756349 /nfs/dbraw/zinc/75/63/49/946756349.db2.gz IUBIYDWBQQMSNH-CABCVRRESA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)C(C)C ZINC001573537955 946759709 /nfs/dbraw/zinc/75/97/09/946759709.db2.gz SDVWDRWSZBMFPF-CZUORRHYSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)C(C)C ZINC001573537955 946759716 /nfs/dbraw/zinc/75/97/16/946759716.db2.gz SDVWDRWSZBMFPF-CZUORRHYSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573538005 946759784 /nfs/dbraw/zinc/75/97/84/946759784.db2.gz ONROHQXQUKOKAD-HNNXBMFYSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573538005 946759790 /nfs/dbraw/zinc/75/97/90/946759790.db2.gz ONROHQXQUKOKAD-HNNXBMFYSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)C(C)C ZINC001573538572 946771345 /nfs/dbraw/zinc/77/13/45/946771345.db2.gz XKRIZMGPXWTIAJ-GDBMZVCRSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)C(C)C ZINC001573538572 946771354 /nfs/dbraw/zinc/77/13/54/946771354.db2.gz XKRIZMGPXWTIAJ-GDBMZVCRSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@H](C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C 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SZYXZMMXDRNHOC-BLLLJJGKSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573541859 946791066 /nfs/dbraw/zinc/79/10/66/946791066.db2.gz WBFZFYQQVXVVEC-BLLLJJGKSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573541859 946791070 /nfs/dbraw/zinc/79/10/70/946791070.db2.gz WBFZFYQQVXVVEC-BLLLJJGKSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)Nc1cc(C(=O)N(C)CCNc2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC001573542195 946791672 /nfs/dbraw/zinc/79/16/72/946791672.db2.gz AQKBKVZVYBUDJM-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)Nc1cc(C(=O)N(C)CCNc2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC001573542195 946791680 /nfs/dbraw/zinc/79/16/80/946791680.db2.gz AQKBKVZVYBUDJM-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573542395 946797421 /nfs/dbraw/zinc/79/74/21/946797421.db2.gz IQXMCQLXTLEWOJ-MRXNPFEDSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573542395 946797428 /nfs/dbraw/zinc/79/74/28/946797428.db2.gz IQXMCQLXTLEWOJ-MRXNPFEDSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573542675 946797665 /nfs/dbraw/zinc/79/76/65/946797665.db2.gz KUIDQHJQPAIZLD-BDJLRTHQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573542675 946797671 /nfs/dbraw/zinc/79/76/71/946797671.db2.gz KUIDQHJQPAIZLD-BDJLRTHQSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)Nc1cc(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nc2)ccn1 ZINC001573542736 946800820 /nfs/dbraw/zinc/80/08/20/946800820.db2.gz NWALCPMERWOJRZ-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1cc(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nc2)ccn1 ZINC001573542736 946800839 /nfs/dbraw/zinc/80/08/39/946800839.db2.gz NWALCPMERWOJRZ-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001573542893 946802476 /nfs/dbraw/zinc/80/24/76/946802476.db2.gz QKWGTCMXPGHCAQ-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001573542893 946802485 /nfs/dbraw/zinc/80/24/85/946802485.db2.gz QKWGTCMXPGHCAQ-XHDPSFHLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001573542898 946803443 /nfs/dbraw/zinc/80/34/43/946803443.db2.gz QOQSBBAQQAMDOX-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001573542898 946803462 /nfs/dbraw/zinc/80/34/62/946803462.db2.gz QOQSBBAQQAMDOX-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001573542892 946804347 /nfs/dbraw/zinc/80/43/47/946804347.db2.gz QKWGTCMXPGHCAQ-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001573542892 946804360 /nfs/dbraw/zinc/80/43/60/946804360.db2.gz QKWGTCMXPGHCAQ-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573543325 946805536 /nfs/dbraw/zinc/80/55/36/946805536.db2.gz VPUIDUSKXMDAGO-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573543325 946805548 /nfs/dbraw/zinc/80/55/48/946805548.db2.gz VPUIDUSKXMDAGO-IAQYHMDHSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)Nc1ccc(CNS(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)cn1 ZINC001573546897 946820609 /nfs/dbraw/zinc/82/06/09/946820609.db2.gz AWBOLCDMZHXIDY-UHFFFAOYSA-N -1 3 391.388 0.838 20 0 GCADHM CC(=O)Nc1ccc(CNS(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)cn1 ZINC001573546897 946820613 /nfs/dbraw/zinc/82/06/13/946820613.db2.gz AWBOLCDMZHXIDY-UHFFFAOYSA-N -1 3 391.388 0.838 20 0 GCADHM CC(=O)Nc1nc(CNC[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cs1 ZINC001573548305 946849108 /nfs/dbraw/zinc/84/91/08/946849108.db2.gz IFPLTEJVNUWGTI-MRVPVSSYSA-N -1 3 389.445 0.518 20 0 GCADHM 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947493104 /nfs/dbraw/zinc/49/31/04/947493104.db2.gz IKMZYRPYSXWBGW-JSGCOSHPSA-N -1 3 375.433 0.310 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001573603605 947493109 /nfs/dbraw/zinc/49/31/09/947493109.db2.gz IKMZYRPYSXWBGW-JSGCOSHPSA-N -1 3 375.433 0.310 20 0 GCADHM COCCCOCC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826156609 947494725 /nfs/dbraw/zinc/49/47/25/947494725.db2.gz LXEHYTOSLBJZBA-CQSZACIVSA-N -1 3 375.385 0.568 20 0 GCADHM COCCCOCC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826156609 947494732 /nfs/dbraw/zinc/49/47/32/947494732.db2.gz LXEHYTOSLBJZBA-CQSZACIVSA-N -1 3 375.385 0.568 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573603665 947495191 /nfs/dbraw/zinc/49/51/91/947495191.db2.gz JGASEZKTHXBOGY-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573603665 947495199 /nfs/dbraw/zinc/49/51/99/947495199.db2.gz JGASEZKTHXBOGY-NSHDSACASA-N -1 3 377.449 0.428 20 0 GCADHM COCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826159969 947504283 /nfs/dbraw/zinc/50/42/83/947504283.db2.gz ZQZFLJFLVZRHDJ-UHFFFAOYSA-N -1 3 390.791 0.407 20 0 GCADHM COCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826159969 947504291 /nfs/dbraw/zinc/50/42/91/947504291.db2.gz ZQZFLJFLVZRHDJ-UHFFFAOYSA-N -1 3 390.791 0.407 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000826161841 947505786 /nfs/dbraw/zinc/50/57/86/947505786.db2.gz BWGYMXHYSFPZAV-NSHDSACASA-N -1 3 391.432 0.927 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000826161841 947505792 /nfs/dbraw/zinc/50/57/92/947505792.db2.gz BWGYMXHYSFPZAV-NSHDSACASA-N -1 3 391.432 0.927 20 0 GCADHM C[C@@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001573604541 947512698 /nfs/dbraw/zinc/51/26/98/947512698.db2.gz VKDYCQWOJVKAQW-CQSZACIVSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H](C(=O)N(C)CCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001573604541 947512712 /nfs/dbraw/zinc/51/27/12/947512712.db2.gz VKDYCQWOJVKAQW-CQSZACIVSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H](C(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573604578 947513662 /nfs/dbraw/zinc/51/36/62/947513662.db2.gz PHEWBYUAYSGGFF-ZYHUDNBSSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](C(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1)[C@H]1CCC(=O)N1 ZINC001573604578 947513671 /nfs/dbraw/zinc/51/36/71/947513671.db2.gz PHEWBYUAYSGGFF-ZYHUDNBSSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573605639 947531443 /nfs/dbraw/zinc/53/14/43/947531443.db2.gz XUIDCSTWHXUVRH-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573605639 947531450 /nfs/dbraw/zinc/53/14/50/947531450.db2.gz XUIDCSTWHXUVRH-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573606884 947535124 /nfs/dbraw/zinc/53/51/24/947535124.db2.gz AAZMVIBTYGNDAM-NSHDSACASA-N -1 3 387.444 0.540 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573606884 947535131 /nfs/dbraw/zinc/53/51/31/947535131.db2.gz AAZMVIBTYGNDAM-NSHDSACASA-N -1 3 387.444 0.540 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573607068 947538916 /nfs/dbraw/zinc/53/89/16/947538916.db2.gz DRSDHSAOTGONEP-NSHDSACASA-N -1 3 387.444 0.540 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573607068 947538928 /nfs/dbraw/zinc/53/89/28/947538928.db2.gz DRSDHSAOTGONEP-NSHDSACASA-N -1 3 387.444 0.540 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573607288 947544618 /nfs/dbraw/zinc/54/46/18/947544618.db2.gz JBJXTVTUAUYHNN-LBPRGKRZSA-N -1 3 385.432 0.032 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573607288 947544624 /nfs/dbraw/zinc/54/46/24/947544624.db2.gz JBJXTVTUAUYHNN-LBPRGKRZSA-N -1 3 385.432 0.032 20 0 GCADHM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C(C)(C)C1)n1cncn1 ZINC001573614026 947575812 /nfs/dbraw/zinc/57/58/12/947575812.db2.gz KHSHKERRMGBHTD-FZMZJTMJSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C(C)(C)C1)n1cncn1 ZINC001573614026 947575821 /nfs/dbraw/zinc/57/58/21/947575821.db2.gz KHSHKERRMGBHTD-FZMZJTMJSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2)C1CC1 ZINC001573614152 947579071 /nfs/dbraw/zinc/57/90/71/947579071.db2.gz LFTWLTHGRTZMSD-PWSUYJOCSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2)C1CC1 ZINC001573614152 947579078 /nfs/dbraw/zinc/57/90/78/947579078.db2.gz LFTWLTHGRTZMSD-PWSUYJOCSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573614214 947579783 /nfs/dbraw/zinc/57/97/83/947579783.db2.gz DEZTXLDKPCVSQS-OLZOCXBDSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573614214 947579791 /nfs/dbraw/zinc/57/97/91/947579791.db2.gz DEZTXLDKPCVSQS-OLZOCXBDSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573614215 947580098 /nfs/dbraw/zinc/58/00/98/947580098.db2.gz DEZTXLDKPCVSQS-QWHCGFSZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573614215 947580106 /nfs/dbraw/zinc/58/01/06/947580106.db2.gz DEZTXLDKPCVSQS-QWHCGFSZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573614508 947585608 /nfs/dbraw/zinc/58/56/08/947585608.db2.gz MPGCGXDPHUUQEI-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573614508 947585615 /nfs/dbraw/zinc/58/56/15/947585615.db2.gz MPGCGXDPHUUQEI-JTQLQIEISA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nc2)CC1)n1cncn1 ZINC001573614416 947586264 /nfs/dbraw/zinc/58/62/64/947586264.db2.gz FADXMAKQYDXQBE-GFCCVEGCSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nc2)CC1)n1cncn1 ZINC001573614416 947586272 /nfs/dbraw/zinc/58/62/72/947586272.db2.gz FADXMAKQYDXQBE-GFCCVEGCSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCCC1 ZINC001573614644 947588750 /nfs/dbraw/zinc/58/87/50/947588750.db2.gz NUMAMNOTMYRHSW-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCCC1 ZINC001573614644 947588756 /nfs/dbraw/zinc/58/87/56/947588756.db2.gz NUMAMNOTMYRHSW-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573614949 947595344 /nfs/dbraw/zinc/59/53/44/947595344.db2.gz BYURFCNXJCLNJN-GXFFZTMASA-N -1 3 381.400 0.119 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573614949 947595349 /nfs/dbraw/zinc/59/53/49/947595349.db2.gz BYURFCNXJCLNJN-GXFFZTMASA-N -1 3 381.400 0.119 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](CO)C2CCOCC2)cc1-c1nnn[n-]1 ZINC000826198855 947596144 /nfs/dbraw/zinc/59/61/44/947596144.db2.gz KOKFGALFBWKTDO-CQSZACIVSA-N -1 3 376.417 0.462 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](CO)C2CCOCC2)cc1-c1nn[n-]n1 ZINC000826198855 947596150 /nfs/dbraw/zinc/59/61/50/947596150.db2.gz KOKFGALFBWKTDO-CQSZACIVSA-N -1 3 376.417 0.462 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573617034 947631943 /nfs/dbraw/zinc/63/19/43/947631943.db2.gz KWOZDOZUADBRAI-CMPLNLGQSA-N -1 3 386.395 0.291 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573617034 947631951 /nfs/dbraw/zinc/63/19/51/947631951.db2.gz KWOZDOZUADBRAI-CMPLNLGQSA-N -1 3 386.395 0.291 20 0 GCADHM C=Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC001573354361 947632519 /nfs/dbraw/zinc/63/25/19/947632519.db2.gz BHJCSICZIJUUTG-AWEZNQCLSA-N -1 3 381.396 0.359 20 0 GCADHM C=Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC001573354361 947632523 /nfs/dbraw/zinc/63/25/23/947632523.db2.gz BHJCSICZIJUUTG-AWEZNQCLSA-N -1 3 381.396 0.359 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCOCC1 ZINC001573617621 947638604 /nfs/dbraw/zinc/63/86/04/947638604.db2.gz MGLSJOPYDGFOFL-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCOCC1 ZINC001573617621 947638609 /nfs/dbraw/zinc/63/86/09/947638609.db2.gz MGLSJOPYDGFOFL-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573617829 947640496 /nfs/dbraw/zinc/64/04/96/947640496.db2.gz NJDFDDXVNCGTPE-YPMHNXCESA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573617829 947640503 /nfs/dbraw/zinc/64/05/03/947640503.db2.gz NJDFDDXVNCGTPE-YPMHNXCESA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573617699 947641274 /nfs/dbraw/zinc/64/12/74/947641274.db2.gz MPKRLNQXMPDTAU-GHMZBOCLSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573617699 947641281 /nfs/dbraw/zinc/64/12/81/947641281.db2.gz MPKRLNQXMPDTAU-GHMZBOCLSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573618315 947650792 /nfs/dbraw/zinc/65/07/92/947650792.db2.gz QLPVLNZCKVJKIP-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573618315 947650803 /nfs/dbraw/zinc/65/08/03/947650803.db2.gz QLPVLNZCKVJKIP-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573619341 947664877 /nfs/dbraw/zinc/66/48/77/947664877.db2.gz VGSKYQRWTNMBBW-GFCCVEGCSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573619341 947664880 /nfs/dbraw/zinc/66/48/80/947664880.db2.gz VGSKYQRWTNMBBW-GFCCVEGCSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001573619598 947666393 /nfs/dbraw/zinc/66/63/93/947666393.db2.gz WABKQWPDPKBQCN-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001573619598 947666402 /nfs/dbraw/zinc/66/64/02/947666402.db2.gz WABKQWPDPKBQCN-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573619571 947666671 /nfs/dbraw/zinc/66/66/71/947666671.db2.gz VTFKCXJKDORJGX-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573619571 947666678 /nfs/dbraw/zinc/66/66/78/947666678.db2.gz VTFKCXJKDORJGX-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001573619856 947672640 /nfs/dbraw/zinc/67/26/40/947672640.db2.gz YHPUYQYCXAZUAJ-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001573619856 947672649 /nfs/dbraw/zinc/67/26/49/947672649.db2.gz YHPUYQYCXAZUAJ-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573622470 947680606 /nfs/dbraw/zinc/68/06/06/947680606.db2.gz ACDPRRQRKRINKE-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573622470 947680609 /nfs/dbraw/zinc/68/06/09/947680609.db2.gz ACDPRRQRKRINKE-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573622554 947680857 /nfs/dbraw/zinc/68/08/57/947680857.db2.gz AWUPYEKKGMFMGF-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573622554 947680861 /nfs/dbraw/zinc/68/08/61/947680861.db2.gz AWUPYEKKGMFMGF-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573622573 947680982 /nfs/dbraw/zinc/68/09/82/947680982.db2.gz BBXVZFITYPCRPS-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573622573 947680990 /nfs/dbraw/zinc/68/09/90/947680990.db2.gz BBXVZFITYPCRPS-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H]1CN(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCN1S(C)(=O)=O ZINC000826232550 947681619 /nfs/dbraw/zinc/68/16/19/947681619.db2.gz VYWBDRYQPYXWQO-LBPRGKRZSA-N -1 3 393.473 0.161 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1)S(C)(=O)=O ZINC001573622633 947683670 /nfs/dbraw/zinc/68/36/70/947683670.db2.gz BYCXQBKUIYKMSQ-JTQLQIEISA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1)S(C)(=O)=O ZINC001573622633 947683674 /nfs/dbraw/zinc/68/36/74/947683674.db2.gz BYCXQBKUIYKMSQ-JTQLQIEISA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1)S(C)(=O)=O ZINC001573622635 947683845 /nfs/dbraw/zinc/68/38/45/947683845.db2.gz BYCXQBKUIYKMSQ-SNVBAGLBSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1)S(C)(=O)=O ZINC001573622635 947683853 /nfs/dbraw/zinc/68/38/53/947683853.db2.gz BYCXQBKUIYKMSQ-SNVBAGLBSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573623652 947690352 /nfs/dbraw/zinc/69/03/52/947690352.db2.gz HMFZZHIMBVKEIQ-CHWSQXEVSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573623652 947690366 /nfs/dbraw/zinc/69/03/66/947690366.db2.gz HMFZZHIMBVKEIQ-CHWSQXEVSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573624028 947694130 /nfs/dbraw/zinc/69/41/30/947694130.db2.gz JIMFNCADFBQDLS-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573624028 947694139 /nfs/dbraw/zinc/69/41/39/947694139.db2.gz JIMFNCADFBQDLS-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001573625902 947703170 /nfs/dbraw/zinc/70/31/70/947703170.db2.gz PYYSTWPCOGDTKM-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001573625902 947703175 /nfs/dbraw/zinc/70/31/75/947703175.db2.gz PYYSTWPCOGDTKM-CMPLNLGQSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573626937 947714662 /nfs/dbraw/zinc/71/46/62/947714662.db2.gz XMEFZBGGHFTSRP-ZMZPIMSZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573626937 947714668 /nfs/dbraw/zinc/71/46/68/947714668.db2.gz XMEFZBGGHFTSRP-ZMZPIMSZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573627474 947724571 /nfs/dbraw/zinc/72/45/71/947724571.db2.gz BYWDWBQUNDTQPW-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573627474 947724580 /nfs/dbraw/zinc/72/45/80/947724580.db2.gz BYWDWBQUNDTQPW-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573627999 947743009 /nfs/dbraw/zinc/74/30/09/947743009.db2.gz DXSVIKMSDRTTDP-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573627999 947743012 /nfs/dbraw/zinc/74/30/12/947743012.db2.gz DXSVIKMSDRTTDP-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573628160 947747661 /nfs/dbraw/zinc/74/76/61/947747661.db2.gz FUJGQOKCWYAXJA-GXTWGEPZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573628160 947747669 /nfs/dbraw/zinc/74/76/69/947747669.db2.gz FUJGQOKCWYAXJA-GXTWGEPZSA-N -1 3 382.432 0.542 20 0 GCADHM CC(=CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cnccn1 ZINC001573367042 947753630 /nfs/dbraw/zinc/75/36/30/947753630.db2.gz ZRSYPXQUPCCCSM-RAXLEYEMSA-N -1 3 377.412 0.804 20 0 GCADHM CC(=CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cnccn1 ZINC001573367042 947753643 /nfs/dbraw/zinc/75/36/43/947753643.db2.gz ZRSYPXQUPCCCSM-RAXLEYEMSA-N -1 3 377.412 0.804 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573367313 947756864 /nfs/dbraw/zinc/75/68/64/947756864.db2.gz BTMSPVLHWBFFMO-LBPRGKRZSA-N -1 3 379.396 0.391 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573367313 947756870 /nfs/dbraw/zinc/75/68/70/947756870.db2.gz BTMSPVLHWBFFMO-LBPRGKRZSA-N -1 3 379.396 0.391 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573367346 947759247 /nfs/dbraw/zinc/75/92/47/947759247.db2.gz ZTONVGPRTQVOOF-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573367346 947759255 /nfs/dbraw/zinc/75/92/55/947759255.db2.gz ZTONVGPRTQVOOF-HNNXBMFYSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573367726 947764060 /nfs/dbraw/zinc/76/40/60/947764060.db2.gz HBLSUXCPXDTFDQ-CYBMUJFWSA-N -1 3 375.433 0.561 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573367726 947764065 /nfs/dbraw/zinc/76/40/65/947764065.db2.gz HBLSUXCPXDTFDQ-CYBMUJFWSA-N -1 3 375.433 0.561 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573628820 947765539 /nfs/dbraw/zinc/76/55/39/947765539.db2.gz OHHHBKJUPVADFS-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573367941 947765534 /nfs/dbraw/zinc/76/55/34/947765534.db2.gz JEKBFSBUZRAABN-SFHVURJKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573367941 947765542 /nfs/dbraw/zinc/76/55/42/947765542.db2.gz JEKBFSBUZRAABN-SFHVURJKSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573628820 947765548 /nfs/dbraw/zinc/76/55/48/947765548.db2.gz OHHHBKJUPVADFS-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628944 947767420 /nfs/dbraw/zinc/76/74/20/947767420.db2.gz PHZKAHWPOLMMKR-GXTWGEPZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628944 947767426 /nfs/dbraw/zinc/76/74/26/947767426.db2.gz PHZKAHWPOLMMKR-GXTWGEPZSA-N -1 3 382.432 0.542 20 0 GCADHM Cc1cc(C)nc(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826265796 947769347 /nfs/dbraw/zinc/76/93/47/947769347.db2.gz NLKNLSTZVOBRER-INIZCTEOSA-N -1 3 394.439 0.656 20 0 GCADHM Cc1cc(C)nc(N2CCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826265796 947769354 /nfs/dbraw/zinc/76/93/54/947769354.db2.gz NLKNLSTZVOBRER-INIZCTEOSA-N -1 3 394.439 0.656 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573369183 947772092 /nfs/dbraw/zinc/77/20/92/947772092.db2.gz QZPIPQUEKJAHEM-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573369183 947772093 /nfs/dbraw/zinc/77/20/93/947772093.db2.gz QZPIPQUEKJAHEM-QWHCGFSZSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573369159 947772127 /nfs/dbraw/zinc/77/21/27/947772127.db2.gz QWPVRZJVXHFCFT-BETUJISGSA-N -1 3 385.428 0.770 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573369159 947772131 /nfs/dbraw/zinc/77/21/31/947772131.db2.gz QWPVRZJVXHFCFT-BETUJISGSA-N -1 3 385.428 0.770 20 0 GCADHM CC(=O)CCCC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573369200 947772686 /nfs/dbraw/zinc/77/26/86/947772686.db2.gz RJRFJMHJDXWLIW-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM CC(=O)CCCC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573369200 947772691 /nfs/dbraw/zinc/77/26/91/947772691.db2.gz RJRFJMHJDXWLIW-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573369184 947772799 /nfs/dbraw/zinc/77/27/99/947772799.db2.gz QZPIPQUEKJAHEM-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573369184 947772809 /nfs/dbraw/zinc/77/28/09/947772809.db2.gz QZPIPQUEKJAHEM-STQMWFEESA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573369284 947774644 /nfs/dbraw/zinc/77/46/44/947774644.db2.gz TURQDOGGRYCDHI-LBPRGKRZSA-N -1 3 378.408 0.996 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573369284 947774652 /nfs/dbraw/zinc/77/46/52/947774652.db2.gz TURQDOGGRYCDHI-LBPRGKRZSA-N -1 3 378.408 0.996 20 0 GCADHM C[C@@H](C(=O)N1CCCCCC1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573630585 947793620 /nfs/dbraw/zinc/79/36/20/947793620.db2.gz ZBKZJTWSBNCNNQ-LBPRGKRZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCCCCC1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573630585 947793631 /nfs/dbraw/zinc/79/36/31/947793631.db2.gz ZBKZJTWSBNCNNQ-LBPRGKRZSA-N -1 3 386.460 0.400 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC001573373463 947794469 /nfs/dbraw/zinc/79/44/69/947794469.db2.gz JCUWXQUZUFAOIS-AAEUAGOBSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001573373463 947794477 /nfs/dbraw/zinc/79/44/77/947794477.db2.gz JCUWXQUZUFAOIS-AAEUAGOBSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573373557 947794914 /nfs/dbraw/zinc/79/49/14/947794914.db2.gz DMBPQZZFVISSGR-SFHVURJKSA-N -1 3 387.444 0.469 20 0 GCADHM CC(=O)CCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573373557 947794924 /nfs/dbraw/zinc/79/49/24/947794924.db2.gz DMBPQZZFVISSGR-SFHVURJKSA-N -1 3 387.444 0.469 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)n1cccn1 ZINC001573637389 947812458 /nfs/dbraw/zinc/81/24/58/947812458.db2.gz BKLJTRBBDBNNKB-LBPRGKRZSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)n1cccn1 ZINC001573637389 947812464 /nfs/dbraw/zinc/81/24/64/947812464.db2.gz BKLJTRBBDBNNKB-LBPRGKRZSA-N -1 3 385.407 0.897 20 0 GCADHM C[C@@H](C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573637555 947818055 /nfs/dbraw/zinc/81/80/55/947818055.db2.gz ILMCMYDVIIUZIT-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573637555 947818065 /nfs/dbraw/zinc/81/80/65/947818065.db2.gz ILMCMYDVIIUZIT-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)c1cnn(C)c1 ZINC001573637621 947819641 /nfs/dbraw/zinc/81/96/41/947819641.db2.gz KVCGSVGJCYRBPJ-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)c1cnn(C)c1 ZINC001573637621 947819648 /nfs/dbraw/zinc/81/96/48/947819648.db2.gz KVCGSVGJCYRBPJ-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637797 947825363 /nfs/dbraw/zinc/82/53/63/947825363.db2.gz QUISHRZNTUAFIP-OCCSQVGLSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637797 947825373 /nfs/dbraw/zinc/82/53/73/947825373.db2.gz QUISHRZNTUAFIP-OCCSQVGLSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637968 947828153 /nfs/dbraw/zinc/82/81/53/947828153.db2.gz XQFXMVLOGIXIHE-OCCSQVGLSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637968 947828155 /nfs/dbraw/zinc/82/81/55/947828155.db2.gz XQFXMVLOGIXIHE-OCCSQVGLSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001573376833 947842018 /nfs/dbraw/zinc/84/20/18/947842018.db2.gz YTUDFLAWLSKMIG-DGCLKSJQSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001573376833 947842024 /nfs/dbraw/zinc/84/20/24/947842024.db2.gz YTUDFLAWLSKMIG-DGCLKSJQSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573639764 947847682 /nfs/dbraw/zinc/84/76/82/947847682.db2.gz CPOKFYJCRDAFPY-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573639764 947847688 /nfs/dbraw/zinc/84/76/88/947847688.db2.gz CPOKFYJCRDAFPY-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573640136 947850403 /nfs/dbraw/zinc/85/04/03/947850403.db2.gz FZRWQYQNTLQGRU-VHSXEESVSA-N -1 3 382.421 0.452 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573640136 947850407 /nfs/dbraw/zinc/85/04/07/947850407.db2.gz FZRWQYQNTLQGRU-VHSXEESVSA-N -1 3 382.421 0.452 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573377585 947850392 /nfs/dbraw/zinc/85/03/92/947850392.db2.gz OXGCNLOSHDDWDC-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573377585 947850398 /nfs/dbraw/zinc/85/03/98/947850398.db2.gz OXGCNLOSHDDWDC-OLZOCXBDSA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H](C(=O)N1CCOC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1)C1CC1 ZINC001573640585 947851962 /nfs/dbraw/zinc/85/19/62/947851962.db2.gz IHEWYLXJEARYTN-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](C(=O)N1CCOC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1)C1CC1 ZINC001573640585 947851967 /nfs/dbraw/zinc/85/19/67/947851967.db2.gz IHEWYLXJEARYTN-NSHDSACASA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](C(=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573641061 947854563 /nfs/dbraw/zinc/85/45/63/947854563.db2.gz KQQXSMZPKBLQIL-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573641061 947854569 /nfs/dbraw/zinc/85/45/69/947854569.db2.gz KQQXSMZPKBLQIL-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNc2ncccc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573640955 947855471 /nfs/dbraw/zinc/85/54/71/947855471.db2.gz KKEZZKXYIZXQJF-CHWSQXEVSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNc2ncccc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573640955 947855477 /nfs/dbraw/zinc/85/54/77/947855477.db2.gz KKEZZKXYIZXQJF-CHWSQXEVSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573642388 947861151 /nfs/dbraw/zinc/86/11/51/947861151.db2.gz QCFNYDVEKIEDRC-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573642388 947861160 /nfs/dbraw/zinc/86/11/60/947861160.db2.gz QCFNYDVEKIEDRC-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573380530 947861170 /nfs/dbraw/zinc/86/11/70/947861170.db2.gz DUGQSDSEXYJZQU-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573380530 947861180 /nfs/dbraw/zinc/86/11/80/947861180.db2.gz DUGQSDSEXYJZQU-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573380523 947861952 /nfs/dbraw/zinc/86/19/52/947861952.db2.gz DTLWACZAMOLKEV-CQSZACIVSA-N -1 3 375.433 0.825 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573380523 947861957 /nfs/dbraw/zinc/86/19/57/947861957.db2.gz DTLWACZAMOLKEV-CQSZACIVSA-N -1 3 375.433 0.825 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2ccnc(N(C)C)n2)c1-c1nnn[n-]1 ZINC000826298953 947864672 /nfs/dbraw/zinc/86/46/72/947864672.db2.gz LXZYVRQNXYLUPO-UHFFFAOYSA-N -1 3 381.400 0.286 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCc2ccnc(N(C)C)n2)c1-c1nn[n-]n1 ZINC000826298953 947864680 /nfs/dbraw/zinc/86/46/80/947864680.db2.gz LXZYVRQNXYLUPO-UHFFFAOYSA-N -1 3 381.400 0.286 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573380940 947866750 /nfs/dbraw/zinc/86/67/50/947866750.db2.gz KOMCBPUUIPPLAB-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573380940 947866760 /nfs/dbraw/zinc/86/67/60/947866760.db2.gz KOMCBPUUIPPLAB-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573381188 947870972 /nfs/dbraw/zinc/87/09/72/947870972.db2.gz PZZWPIVQLZYMQF-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573381188 947870979 /nfs/dbraw/zinc/87/09/79/947870979.db2.gz PZZWPIVQLZYMQF-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573381252 947871072 /nfs/dbraw/zinc/87/10/72/947871072.db2.gz ROSJIIXMJQVQHE-AWEZNQCLSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573381252 947871078 /nfs/dbraw/zinc/87/10/78/947871078.db2.gz ROSJIIXMJQVQHE-AWEZNQCLSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573381451 947875465 /nfs/dbraw/zinc/87/54/65/947875465.db2.gz VPEMQIYRIBPZTB-SFHVURJKSA-N -1 3 387.444 0.923 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573381451 947875471 /nfs/dbraw/zinc/87/54/71/947875471.db2.gz VPEMQIYRIBPZTB-SFHVURJKSA-N -1 3 387.444 0.923 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C)n1cccn1 ZINC001573646729 947878283 /nfs/dbraw/zinc/87/82/83/947878283.db2.gz RGJHWPCEEWJKDG-MDZLAQPJSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C)n1cccn1 ZINC001573646729 947878291 /nfs/dbraw/zinc/87/82/91/947878291.db2.gz RGJHWPCEEWJKDG-MDZLAQPJSA-N -1 3 383.416 0.372 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573381759 947878360 /nfs/dbraw/zinc/87/83/60/947878360.db2.gz YQBJOMWNTCIMSO-QGZVFWFLSA-N -1 3 391.407 0.218 20 0 GCADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573381759 947878364 /nfs/dbraw/zinc/87/83/64/947878364.db2.gz YQBJOMWNTCIMSO-QGZVFWFLSA-N -1 3 391.407 0.218 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573381933 947879676 /nfs/dbraw/zinc/87/96/76/947879676.db2.gz ZWOUPICEHVOZAS-CHWSQXEVSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573381933 947879685 /nfs/dbraw/zinc/87/96/85/947879685.db2.gz ZWOUPICEHVOZAS-CHWSQXEVSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573381939 947881485 /nfs/dbraw/zinc/88/14/85/947881485.db2.gz ZWOUPICEHVOZAS-QWHCGFSZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573381939 947881489 /nfs/dbraw/zinc/88/14/89/947881489.db2.gz ZWOUPICEHVOZAS-QWHCGFSZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CCO1 ZINC001573382105 947883059 /nfs/dbraw/zinc/88/30/59/947883059.db2.gz DWBVMEBGPFBTBT-AWEZNQCLSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CCO1 ZINC001573382105 947883066 /nfs/dbraw/zinc/88/30/66/947883066.db2.gz DWBVMEBGPFBTBT-AWEZNQCLSA-N -1 3 387.444 0.651 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573382545 947885106 /nfs/dbraw/zinc/88/51/06/947885106.db2.gz IJMHRHVXTSZQMN-KRWDZBQOSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573382545 947885115 /nfs/dbraw/zinc/88/51/15/947885115.db2.gz IJMHRHVXTSZQMN-KRWDZBQOSA-N -1 3 386.456 0.943 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647202 947887126 /nfs/dbraw/zinc/88/71/26/947887126.db2.gz DTNTVRLTZRMWAI-ARLBYUKCSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647202 947887137 /nfs/dbraw/zinc/88/71/37/947887137.db2.gz DTNTVRLTZRMWAI-ARLBYUKCSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647203 947888014 /nfs/dbraw/zinc/88/80/14/947888014.db2.gz DTNTVRLTZRMWAI-DMRZNYOFSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647203 947888022 /nfs/dbraw/zinc/88/80/22/947888022.db2.gz DTNTVRLTZRMWAI-DMRZNYOFSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1)n1cncn1 ZINC001573647257 947888842 /nfs/dbraw/zinc/88/88/42/947888842.db2.gz GJYLTSMEOTVVAZ-YRGRVCCFSA-N -1 3 382.432 0.621 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1)n1cncn1 ZINC001573647257 947888846 /nfs/dbraw/zinc/88/88/46/947888846.db2.gz GJYLTSMEOTVVAZ-YRGRVCCFSA-N -1 3 382.432 0.621 20 0 GCADHM Cc1ccnc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1-c1nnn[n-]1 ZINC000826310563 947893967 /nfs/dbraw/zinc/89/39/67/947893967.db2.gz ZIYSXNGCFNHJQX-UHFFFAOYSA-N -1 3 384.488 0.951 20 0 GCADHM Cc1ccnc(N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1-c1nn[n-]n1 ZINC000826310563 947893977 /nfs/dbraw/zinc/89/39/77/947893977.db2.gz ZIYSXNGCFNHJQX-UHFFFAOYSA-N -1 3 384.488 0.951 20 0 GCADHM Cc1ccnc(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826310715 947898323 /nfs/dbraw/zinc/89/83/23/947898323.db2.gz FSHFHTSJMGCNJO-LBPRGKRZSA-N -1 3 377.416 0.723 20 0 GCADHM Cc1ccnc(N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826310715 947898336 /nfs/dbraw/zinc/89/83/36/947898336.db2.gz FSHFHTSJMGCNJO-LBPRGKRZSA-N -1 3 377.416 0.723 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573647661 947900927 /nfs/dbraw/zinc/90/09/27/947900927.db2.gz RMSBZFLIAXSRHE-BFQNTYOBSA-N -1 3 394.439 0.970 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573647661 947900938 /nfs/dbraw/zinc/90/09/38/947900938.db2.gz RMSBZFLIAXSRHE-BFQNTYOBSA-N -1 3 394.439 0.970 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1)n1cccc1 ZINC001573647774 947902082 /nfs/dbraw/zinc/90/20/82/947902082.db2.gz SYNZJOMYWWYYTE-HEHGZKQESA-N -1 3 394.439 0.930 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1)n1cccc1 ZINC001573647774 947902091 /nfs/dbraw/zinc/90/20/91/947902091.db2.gz SYNZJOMYWWYYTE-HEHGZKQESA-N -1 3 394.439 0.930 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](CNc2ncccc2-c2nnn[n-]2)[C@H](C)C1)n1cncn1 ZINC001573648382 947908463 /nfs/dbraw/zinc/90/84/63/947908463.db2.gz ZCVVBXWGQZARAR-JHJVBQTASA-N -1 3 382.432 0.621 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](CNc2ncccc2-c2nn[n-]n2)[C@H](C)C1)n1cncn1 ZINC001573648382 947908469 /nfs/dbraw/zinc/90/84/69/947908469.db2.gz ZCVVBXWGQZARAR-JHJVBQTASA-N -1 3 382.432 0.621 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573387519 947910982 /nfs/dbraw/zinc/91/09/82/947910982.db2.gz BLPMGWRDKFBSEL-LBPRGKRZSA-N -1 3 392.851 0.431 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573387519 947910985 /nfs/dbraw/zinc/91/09/85/947910985.db2.gz BLPMGWRDKFBSEL-LBPRGKRZSA-N -1 3 392.851 0.431 20 0 GCADHM Cc1ccnc2c1NC(=O)CN2S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826314510 947917575 /nfs/dbraw/zinc/91/75/75/947917575.db2.gz ANCKHGSESZCJIQ-UHFFFAOYSA-N -1 3 385.409 0.859 20 0 GCADHM Cc1ccnc2c1NC(=O)CN2S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826314510 947917582 /nfs/dbraw/zinc/91/75/82/947917582.db2.gz ANCKHGSESZCJIQ-UHFFFAOYSA-N -1 3 385.409 0.859 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573388297 947918436 /nfs/dbraw/zinc/91/84/36/947918436.db2.gz KMWWFVKRBSBGQV-HNNXBMFYSA-N -1 3 389.435 0.517 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573388297 947918439 /nfs/dbraw/zinc/91/84/39/947918439.db2.gz KMWWFVKRBSBGQV-HNNXBMFYSA-N -1 3 389.435 0.517 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573388611 947920785 /nfs/dbraw/zinc/92/07/85/947920785.db2.gz MSEAGDSDTNZFPJ-BXKDBHETSA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573388611 947920792 /nfs/dbraw/zinc/92/07/92/947920792.db2.gz MSEAGDSDTNZFPJ-BXKDBHETSA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573389088 947922652 /nfs/dbraw/zinc/92/26/52/947922652.db2.gz PSTAJCBUWSRDQD-UHFFFAOYSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573389088 947922658 /nfs/dbraw/zinc/92/26/58/947922658.db2.gz PSTAJCBUWSRDQD-UHFFFAOYSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573389049 947923017 /nfs/dbraw/zinc/92/30/17/947923017.db2.gz PHKVRFLVBAJMGR-LLVKDONJSA-N -1 3 378.462 0.147 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573390161 947927614 /nfs/dbraw/zinc/92/76/14/947927614.db2.gz WYOHQEHSDUOIKF-AWEZNQCLSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573390161 947927619 /nfs/dbraw/zinc/92/76/19/947927619.db2.gz WYOHQEHSDUOIKF-AWEZNQCLSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573651983 947928005 /nfs/dbraw/zinc/92/80/05/947928005.db2.gz SUVDVZBBVJAXGB-DRZSPHRISA-N -1 3 381.400 0.078 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573651983 947928012 /nfs/dbraw/zinc/92/80/12/947928012.db2.gz SUVDVZBBVJAXGB-DRZSPHRISA-N -1 3 381.400 0.078 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573651993 947928136 /nfs/dbraw/zinc/92/81/36/947928136.db2.gz TZDPGCVDBXLNPG-CNXAATOLSA-N -1 3 392.423 0.580 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573651993 947928143 /nfs/dbraw/zinc/92/81/43/947928143.db2.gz TZDPGCVDBXLNPG-CNXAATOLSA-N -1 3 392.423 0.580 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)[C@H](C)C1 ZINC001573389987 947928392 /nfs/dbraw/zinc/92/83/92/947928392.db2.gz VSSDRZOUXJLHNQ-BXUZGUMPSA-N -1 3 386.460 0.555 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)[C@H](C)C1 ZINC001573389987 947928398 /nfs/dbraw/zinc/92/83/98/947928398.db2.gz VSSDRZOUXJLHNQ-BXUZGUMPSA-N -1 3 386.460 0.555 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573652083 947929166 /nfs/dbraw/zinc/92/91/66/947929166.db2.gz AOPXTYZQOBEODO-VXGBXAGGSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573652083 947929172 /nfs/dbraw/zinc/92/91/72/947929172.db2.gz AOPXTYZQOBEODO-VXGBXAGGSA-N -1 3 388.476 0.644 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573390579 947929637 /nfs/dbraw/zinc/92/96/37/947929637.db2.gz YFFUMRICJYKBMM-SECBINFHSA-N -1 3 380.840 0.652 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573390579 947929644 /nfs/dbraw/zinc/92/96/44/947929644.db2.gz YFFUMRICJYKBMM-SECBINFHSA-N -1 3 380.840 0.652 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573390587 947929736 /nfs/dbraw/zinc/92/97/36/947929736.db2.gz YLFKVKDSXTXTPG-OAHLLOKOSA-N -1 3 389.435 0.517 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573390592 947930478 /nfs/dbraw/zinc/93/04/78/947930478.db2.gz YPMZGOSKAMYZJN-RNCFNFMXSA-N -1 3 376.396 0.138 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573390592 947930489 /nfs/dbraw/zinc/93/04/89/947930489.db2.gz YPMZGOSKAMYZJN-RNCFNFMXSA-N -1 3 376.396 0.138 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573390808 947932292 /nfs/dbraw/zinc/93/22/92/947932292.db2.gz CKULJNATAODOGA-IUODEOHRSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573390808 947932300 /nfs/dbraw/zinc/93/23/00/947932300.db2.gz CKULJNATAODOGA-IUODEOHRSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]21 ZINC001573391201 947933196 /nfs/dbraw/zinc/93/31/96/947933196.db2.gz FNHOSVZHTWSJGF-DZGCQCFKSA-N -1 3 384.444 0.086 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]21 ZINC001573391201 947933201 /nfs/dbraw/zinc/93/32/01/947933201.db2.gz FNHOSVZHTWSJGF-DZGCQCFKSA-N -1 3 384.444 0.086 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573391797 947937999 /nfs/dbraw/zinc/93/79/99/947937999.db2.gz KWGGAKGJWHOFBN-AWEZNQCLSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573391797 947938005 /nfs/dbraw/zinc/93/80/05/947938005.db2.gz KWGGAKGJWHOFBN-AWEZNQCLSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(F)F ZINC001573652404 947938199 /nfs/dbraw/zinc/93/81/99/947938199.db2.gz ZEFZYGQHXFMNPP-APOZVJGGSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(F)F ZINC001573652404 947938201 /nfs/dbraw/zinc/93/82/01/947938201.db2.gz ZEFZYGQHXFMNPP-APOZVJGGSA-N -1 3 379.371 0.673 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001573391792 947938766 /nfs/dbraw/zinc/93/87/66/947938766.db2.gz KSYVWFDMRQVQMV-HUUCEWRRSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001573391792 947938772 /nfs/dbraw/zinc/93/87/72/947938772.db2.gz KSYVWFDMRQVQMV-HUUCEWRRSA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001573392125 947942632 /nfs/dbraw/zinc/94/26/32/947942632.db2.gz SYFDSCCOEPQCQB-DOMZBBRYSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001573392125 947942642 /nfs/dbraw/zinc/94/26/42/947942642.db2.gz SYFDSCCOEPQCQB-DOMZBBRYSA-N -1 3 386.460 0.922 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001573392179 947943851 /nfs/dbraw/zinc/94/38/51/947943851.db2.gz VHGJXAKYRXFXQN-CABCVRRESA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001573392179 947943857 /nfs/dbraw/zinc/94/38/57/947943857.db2.gz VHGJXAKYRXFXQN-CABCVRRESA-N -1 3 384.444 0.310 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573392177 947944685 /nfs/dbraw/zinc/94/46/85/947944685.db2.gz UYALHNXSESWYGS-UHFFFAOYSA-N -1 3 375.408 0.128 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573392177 947944694 /nfs/dbraw/zinc/94/46/94/947944694.db2.gz UYALHNXSESWYGS-UHFFFAOYSA-N -1 3 375.408 0.128 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573392357 947946088 /nfs/dbraw/zinc/94/60/88/947946088.db2.gz ACUCHJWTTNUMLL-SFHVURJKSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573392357 947946098 /nfs/dbraw/zinc/94/60/98/947946098.db2.gz ACUCHJWTTNUMLL-SFHVURJKSA-N -1 3 386.460 0.699 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573653073 947950207 /nfs/dbraw/zinc/95/02/07/947950207.db2.gz IYMFFGQVQGGFBV-RYUDHWBXSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573653073 947950216 /nfs/dbraw/zinc/95/02/16/947950216.db2.gz IYMFFGQVQGGFBV-RYUDHWBXSA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392707 947951219 /nfs/dbraw/zinc/95/12/19/947951219.db2.gz FRUZYEPIHAOJTP-JSGCOSHPSA-N -1 3 386.460 0.637 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392707 947951225 /nfs/dbraw/zinc/95/12/25/947951225.db2.gz FRUZYEPIHAOJTP-JSGCOSHPSA-N -1 3 386.460 0.637 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccc1 ZINC001573653134 947951859 /nfs/dbraw/zinc/95/18/59/947951859.db2.gz JJGOSNNARCIMCT-ABAIWWIYSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccc1 ZINC001573653134 947951862 /nfs/dbraw/zinc/95/18/62/947951862.db2.gz JJGOSNNARCIMCT-ABAIWWIYSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573392857 947952718 /nfs/dbraw/zinc/95/27/18/947952718.db2.gz GSKNWBBCNLZTRC-NHYWBVRUSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)[C@@H](C)C1 ZINC001573392857 947952729 /nfs/dbraw/zinc/95/27/29/947952729.db2.gz GSKNWBBCNLZTRC-NHYWBVRUSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573393559 947958107 /nfs/dbraw/zinc/95/81/07/947958107.db2.gz NIDPRBWKLFICOV-NSHDSACASA-N -1 3 378.462 0.370 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573653956 947962341 /nfs/dbraw/zinc/96/23/41/947962341.db2.gz OQTNJXHCJXRCMP-LLVKDONJSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cccc1 ZINC001573654244 947963464 /nfs/dbraw/zinc/96/34/64/947963464.db2.gz QDFPIRHLJSYTFQ-ABAIWWIYSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cccc1 ZINC001573654244 947963467 /nfs/dbraw/zinc/96/34/67/947963467.db2.gz QDFPIRHLJSYTFQ-ABAIWWIYSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CNc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573394449 947964141 /nfs/dbraw/zinc/96/41/41/947964141.db2.gz UIPMEMUVLWVLBE-UHFFFAOYSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573394449 947964145 /nfs/dbraw/zinc/96/41/45/947964145.db2.gz UIPMEMUVLWVLBE-UHFFFAOYSA-N -1 3 386.460 0.699 20 0 GCADHM Cc1nn(CCOc2ccc(S(=O)(=O)N(C)C)cc2)c(N)c1-c1nnn[n-]1 ZINC000826334767 947970269 /nfs/dbraw/zinc/97/02/69/947970269.db2.gz ISENWISOIZZFFE-UHFFFAOYSA-N -1 3 392.445 0.283 20 0 GCADHM Cc1nn(CCOc2ccc(S(=O)(=O)N(C)C)cc2)c(N)c1-c1nn[n-]n1 ZINC000826334767 947970274 /nfs/dbraw/zinc/97/02/74/947970274.db2.gz ISENWISOIZZFFE-UHFFFAOYSA-N -1 3 392.445 0.283 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC001573397816 947973664 /nfs/dbraw/zinc/97/36/64/947973664.db2.gz DLBJHXNEUKUNBN-LSDHHAIUSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC001573397816 947973670 /nfs/dbraw/zinc/97/36/70/947973670.db2.gz DLBJHXNEUKUNBN-LSDHHAIUSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573397606 947975101 /nfs/dbraw/zinc/97/51/01/947975101.db2.gz CPVDDKIWKLMRIA-SMDDNHRTSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573397606 947975107 /nfs/dbraw/zinc/97/51/07/947975107.db2.gz CPVDDKIWKLMRIA-SMDDNHRTSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573655250 947977668 /nfs/dbraw/zinc/97/76/68/947977668.db2.gz WRDMIDTWVRFOPL-YPMHNXCESA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573655250 947977674 /nfs/dbraw/zinc/97/76/74/947977674.db2.gz WRDMIDTWVRFOPL-YPMHNXCESA-N -1 3 388.476 0.644 20 0 GCADHM Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826339848 947977875 /nfs/dbraw/zinc/97/78/75/947977875.db2.gz WUFMZEWSSXZLEG-CYBMUJFWSA-N -1 3 391.413 0.461 20 0 GCADHM Cc1noc([C@H]2COCCN2S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826339848 947977883 /nfs/dbraw/zinc/97/78/83/947977883.db2.gz WUFMZEWSSXZLEG-CYBMUJFWSA-N -1 3 391.413 0.461 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573655789 947981267 /nfs/dbraw/zinc/98/12/67/947981267.db2.gz YVOKEGYLDWOQAY-NEPJUHHUSA-N -1 3 388.476 0.644 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccsc1 ZINC001573655764 947981698 /nfs/dbraw/zinc/98/16/98/947981698.db2.gz YSHQVVLGJWLFDU-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccsc1 ZINC001573655764 947981705 /nfs/dbraw/zinc/98/17/05/947981705.db2.gz YSHQVVLGJWLFDU-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C)c1 ZINC001573655990 947983087 /nfs/dbraw/zinc/98/30/87/947983087.db2.gz AZZIEAJYMGGSTN-KZULUSFZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C)c1 ZINC001573655990 947983093 /nfs/dbraw/zinc/98/30/93/947983093.db2.gz AZZIEAJYMGGSTN-KZULUSFZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cncnc1 ZINC001573655976 947983381 /nfs/dbraw/zinc/98/33/81/947983381.db2.gz ARRXWFGMZDUEMJ-SNVBAGLBSA-N -1 3 381.400 0.167 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cncnc1 ZINC001573655976 947983388 /nfs/dbraw/zinc/98/33/88/947983388.db2.gz ARRXWFGMZDUEMJ-SNVBAGLBSA-N -1 3 381.400 0.167 20 0 GCADHM Cc1onc(CC(=O)N(C)CC(C)(C)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826343333 947990316 /nfs/dbraw/zinc/99/03/16/947990316.db2.gz WJERBZRDXAJXEA-UHFFFAOYSA-N -1 3 377.449 0.522 20 0 GCADHM Cc1onc(CC(=O)N(C)CC(C)(C)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826343333 947990320 /nfs/dbraw/zinc/99/03/20/947990320.db2.gz WJERBZRDXAJXEA-UHFFFAOYSA-N -1 3 377.449 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@]1(C)CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573399201 947990377 /nfs/dbraw/zinc/99/03/77/947990377.db2.gz SVHYIVUYJCIPSB-OAHLLOKOSA-N -1 3 378.462 0.195 20 0 GCADHM C[C@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)cn2)CCCC1)n1cncn1 ZINC001573656625 947992631 /nfs/dbraw/zinc/99/26/31/947992631.db2.gz HXLBZAYSPRUXMJ-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)cn2)CCCC1)n1cncn1 ZINC001573656625 947992636 /nfs/dbraw/zinc/99/26/36/947992636.db2.gz HXLBZAYSPRUXMJ-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573399810 947993845 /nfs/dbraw/zinc/99/38/45/947993845.db2.gz YUPFOPVNBTVVLJ-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573399810 947993849 /nfs/dbraw/zinc/99/38/49/947993849.db2.gz YUPFOPVNBTVVLJ-JSGCOSHPSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001573399643 947993997 /nfs/dbraw/zinc/99/39/97/947993997.db2.gz YCLBJQUXPJGJSM-KBPBESRZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001573399643 947993999 /nfs/dbraw/zinc/99/39/99/947993999.db2.gz YCLBJQUXPJGJSM-KBPBESRZSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573401217 947996268 /nfs/dbraw/zinc/99/62/68/947996268.db2.gz ALLJRQNDULGBLN-HNNXBMFYSA-N -1 3 389.435 0.565 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573401786 947998569 /nfs/dbraw/zinc/99/85/69/947998569.db2.gz CQWNKLWAYNJCCP-FZMZJTMJSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573401786 947998575 /nfs/dbraw/zinc/99/85/75/947998575.db2.gz CQWNKLWAYNJCCP-FZMZJTMJSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573402374 948001574 /nfs/dbraw/zinc/00/15/74/948001574.db2.gz GDRNUSQJGGNSPH-SKDRFNHKSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573402785 948003877 /nfs/dbraw/zinc/00/38/77/948003877.db2.gz IHPLYRWMEVFRCV-CQSZACIVSA-N -1 3 375.408 0.175 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573657837 948004679 /nfs/dbraw/zinc/00/46/79/948004679.db2.gz PHIPDBVHTSGOJT-APPDUMDISA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573657837 948004687 /nfs/dbraw/zinc/00/46/87/948004687.db2.gz PHIPDBVHTSGOJT-APPDUMDISA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1)C1CC1 ZINC001573658106 948008148 /nfs/dbraw/zinc/00/81/48/948008148.db2.gz QIICGNQQKZZQFH-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1)C1CC1 ZINC001573658106 948008154 /nfs/dbraw/zinc/00/81/54/948008154.db2.gz QIICGNQQKZZQFH-LLVKDONJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cccnc1 ZINC001573658685 948010698 /nfs/dbraw/zinc/01/06/98/948010698.db2.gz SXGYFSCEIULASP-NSHDSACASA-N -1 3 380.412 0.772 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cccnc1 ZINC001573658685 948010707 /nfs/dbraw/zinc/01/07/07/948010707.db2.gz SXGYFSCEIULASP-NSHDSACASA-N -1 3 380.412 0.772 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573403730 948012871 /nfs/dbraw/zinc/01/28/71/948012871.db2.gz NZXCLPYTYZMFAM-JOYOIKCWSA-N -1 3 392.489 0.583 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1)[C@@H]1CCCO1 ZINC001573659055 948013073 /nfs/dbraw/zinc/01/30/73/948013073.db2.gz USENLRHOPVPYBW-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1)[C@@H]1CCCO1 ZINC001573659055 948013078 /nfs/dbraw/zinc/01/30/78/948013078.db2.gz USENLRHOPVPYBW-FZMZJTMJSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1ccnn1C ZINC001573659013 948013666 /nfs/dbraw/zinc/01/36/66/948013666.db2.gz UOPIQXWGRWGTMC-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1ccnn1C ZINC001573659013 948013673 /nfs/dbraw/zinc/01/36/73/948013673.db2.gz UOPIQXWGRWGTMC-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573403819 948013746 /nfs/dbraw/zinc/01/37/46/948013746.db2.gz OPLVRMMWSIUHQS-HIFRSBDPSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573403819 948013748 /nfs/dbraw/zinc/01/37/48/948013748.db2.gz OPLVRMMWSIUHQS-HIFRSBDPSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1)[C@H]1CCCO1 ZINC001573659058 948013790 /nfs/dbraw/zinc/01/37/90/948013790.db2.gz USENLRHOPVPYBW-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1)[C@H]1CCCO1 ZINC001573659058 948013797 /nfs/dbraw/zinc/01/37/97/948013797.db2.gz USENLRHOPVPYBW-SMDDNHRTSA-N -1 3 387.444 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573404126 948014880 /nfs/dbraw/zinc/01/48/80/948014880.db2.gz QBVBGYVHIFAVPY-STQMWFEESA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573404126 948014889 /nfs/dbraw/zinc/01/48/89/948014889.db2.gz QBVBGYVHIFAVPY-STQMWFEESA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)[C@@H]1C ZINC001573404080 948015457 /nfs/dbraw/zinc/01/54/57/948015457.db2.gz PPGDQBAHYIEDSH-DOMZBBRYSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)[C@@H]1C ZINC001573404080 948015465 /nfs/dbraw/zinc/01/54/65/948015465.db2.gz PPGDQBAHYIEDSH-DOMZBBRYSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573404251 948019857 /nfs/dbraw/zinc/01/98/57/948019857.db2.gz BGSGHBMKHGIRKB-CYBMUJFWSA-N -1 3 390.423 0.354 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573404251 948019864 /nfs/dbraw/zinc/01/98/64/948019864.db2.gz BGSGHBMKHGIRKB-CYBMUJFWSA-N -1 3 390.423 0.354 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573661889 948021931 /nfs/dbraw/zinc/02/19/31/948021931.db2.gz ALQUETUXCRXULJ-OKFJQDPLSA-N -1 3 384.444 0.197 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573661889 948021939 /nfs/dbraw/zinc/02/19/39/948021939.db2.gz ALQUETUXCRXULJ-OKFJQDPLSA-N -1 3 384.444 0.197 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)[C@@H]1C ZINC001573404353 948022265 /nfs/dbraw/zinc/02/22/65/948022265.db2.gz SIOLFWZRKPKXOG-PWSUYJOCSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)[C@H]1C ZINC001573404352 948022486 /nfs/dbraw/zinc/02/24/86/948022486.db2.gz SIOLFWZRKPKXOG-JQWIXIFHSA-N -1 3 392.489 0.583 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404410 948023779 /nfs/dbraw/zinc/02/37/79/948023779.db2.gz DAEKUUMMMXYGHC-GFCCVEGCSA-N -1 3 392.489 0.443 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404447 948024424 /nfs/dbraw/zinc/02/44/24/948024424.db2.gz FHYNNMVFCFYNOJ-LBPRGKRZSA-N -1 3 392.489 0.443 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573404449 948024981 /nfs/dbraw/zinc/02/49/81/948024981.db2.gz FKQHXRHFWLICMT-AWEZNQCLSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573404449 948024990 /nfs/dbraw/zinc/02/49/90/948024990.db2.gz FKQHXRHFWLICMT-AWEZNQCLSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573404527 948026401 /nfs/dbraw/zinc/02/64/01/948026401.db2.gz UGMFOPMWABPZKJ-SFHVURJKSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@]1(C)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573404527 948026410 /nfs/dbraw/zinc/02/64/10/948026410.db2.gz UGMFOPMWABPZKJ-SFHVURJKSA-N -1 3 386.460 0.463 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573663305 948035296 /nfs/dbraw/zinc/03/52/96/948035296.db2.gz KZGFGKZQTXPCMC-WCFLWFBJSA-N -1 3 384.444 0.151 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573663305 948035305 /nfs/dbraw/zinc/03/53/05/948035305.db2.gz KZGFGKZQTXPCMC-WCFLWFBJSA-N -1 3 384.444 0.151 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CC(Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573404933 948035633 /nfs/dbraw/zinc/03/56/33/948035633.db2.gz KWBSOZLSWOMVOK-UHFFFAOYSA-N -1 3 378.462 0.417 20 0 GCADHM CC(=O)N(C)CC(=O)NCCC1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573404897 948035936 /nfs/dbraw/zinc/03/59/36/948035936.db2.gz KAYHPCKZOSINJI-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NCCC1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573404897 948035945 /nfs/dbraw/zinc/03/59/45/948035945.db2.gz KAYHPCKZOSINJI-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573405248 948039291 /nfs/dbraw/zinc/03/92/91/948039291.db2.gz NNHXBYQOOMYZOP-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573405248 948039300 /nfs/dbraw/zinc/03/93/00/948039300.db2.gz NNHXBYQOOMYZOP-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573405575 948043652 /nfs/dbraw/zinc/04/36/52/948043652.db2.gz UEAANMWTOCHMIU-CYBMUJFWSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573405575 948043662 /nfs/dbraw/zinc/04/36/62/948043662.db2.gz UEAANMWTOCHMIU-CYBMUJFWSA-N -1 3 375.408 0.175 20 0 GCADHM CC(=O)N(C)CC(=O)NCCC1(CNc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573405459 948043712 /nfs/dbraw/zinc/04/37/12/948043712.db2.gz QXXZELWGOSLCEZ-UHFFFAOYSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)N(C)CC(=O)NCCC1(CNc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573405459 948043723 /nfs/dbraw/zinc/04/37/23/948043723.db2.gz QXXZELWGOSLCEZ-UHFFFAOYSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573405727 948046263 /nfs/dbraw/zinc/04/62/63/948046263.db2.gz VEERWDZTSOWMSB-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573405727 948046273 /nfs/dbraw/zinc/04/62/73/948046273.db2.gz VEERWDZTSOWMSB-UHFFFAOYSA-N -1 3 386.460 0.381 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573664034 948047337 /nfs/dbraw/zinc/04/73/37/948047337.db2.gz REGZWYNIVAYFMB-FIXISWKDSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573664034 948047344 /nfs/dbraw/zinc/04/73/44/948047344.db2.gz REGZWYNIVAYFMB-FIXISWKDSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573664131 948048532 /nfs/dbraw/zinc/04/85/32/948048532.db2.gz CCWCJRBPWXMZNU-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573664131 948048537 /nfs/dbraw/zinc/04/85/37/948048537.db2.gz CCWCJRBPWXMZNU-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001573664108 948049585 /nfs/dbraw/zinc/04/95/85/948049585.db2.gz BWRTUDMUXPCLHT-LMWSTFAQSA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)NC1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001573664108 948049594 /nfs/dbraw/zinc/04/95/94/948049594.db2.gz BWRTUDMUXPCLHT-LMWSTFAQSA-N -1 3 382.432 0.954 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573406374 948050482 /nfs/dbraw/zinc/05/04/82/948050482.db2.gz CFPQBLQXKFZDNK-YUELXQCFSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573406374 948050489 /nfs/dbraw/zinc/05/04/89/948050489.db2.gz CFPQBLQXKFZDNK-YUELXQCFSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573406724 948055893 /nfs/dbraw/zinc/05/58/93/948055893.db2.gz OPKZVVRFKFDTMN-BNOWGMLFSA-N -1 3 387.419 0.710 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573406724 948055900 /nfs/dbraw/zinc/05/59/00/948055900.db2.gz OPKZVVRFKFDTMN-BNOWGMLFSA-N -1 3 387.419 0.710 20 0 GCADHM C[C@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573664556 948057568 /nfs/dbraw/zinc/05/75/68/948057568.db2.gz VDBRDCSZHMTXCZ-LKSINWNRSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573664556 948057579 /nfs/dbraw/zinc/05/75/79/948057579.db2.gz VDBRDCSZHMTXCZ-LKSINWNRSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1CC1 ZINC001573664605 948058546 /nfs/dbraw/zinc/05/85/46/948058546.db2.gz VSTXRYGBBNFYMQ-ZMZPIMSZSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1CC1 ZINC001573664605 948058555 /nfs/dbraw/zinc/05/85/55/948058555.db2.gz VSTXRYGBBNFYMQ-ZMZPIMSZSA-N -1 3 389.435 0.894 20 0 GCADHM Cc1nccn1-c1ncccc1CNC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826347917 948063920 /nfs/dbraw/zinc/06/39/20/948063920.db2.gz LTVYCIZMTPVRCW-UHFFFAOYSA-N -1 3 379.384 0.911 20 0 GCADHM Cc1nccn1-c1ncccc1CNC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826347917 948063930 /nfs/dbraw/zinc/06/39/30/948063930.db2.gz LTVYCIZMTPVRCW-UHFFFAOYSA-N -1 3 379.384 0.911 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@H]1CCCO1 ZINC001573665059 948066738 /nfs/dbraw/zinc/06/67/38/948066738.db2.gz IBOABGWHBMBEOZ-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@H]1CCCO1 ZINC001573665059 948066743 /nfs/dbraw/zinc/06/67/43/948066743.db2.gz IBOABGWHBMBEOZ-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573408662 948068164 /nfs/dbraw/zinc/06/81/64/948068164.db2.gz KIEQALFNWAQKMT-NSHDSACASA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573408662 948068176 /nfs/dbraw/zinc/06/81/76/948068176.db2.gz KIEQALFNWAQKMT-NSHDSACASA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573408842 948070615 /nfs/dbraw/zinc/07/06/15/948070615.db2.gz NMLXGRNAAREPSS-LLVKDONJSA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573408842 948070624 /nfs/dbraw/zinc/07/06/24/948070624.db2.gz NMLXGRNAAREPSS-LLVKDONJSA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H]2CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573413349 948079091 /nfs/dbraw/zinc/07/90/91/948079091.db2.gz CCCZEUILZBEWIT-LBPRGKRZSA-N -1 3 390.473 0.513 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)[C@H](C)CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573413648 948084838 /nfs/dbraw/zinc/08/48/38/948084838.db2.gz COVBCRUXMPGSTC-MRVPVSSYSA-N -1 3 378.462 0.369 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573666224 948085139 /nfs/dbraw/zinc/08/51/39/948085139.db2.gz RGBIFSKPVFJUAP-OLZOCXBDSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573666224 948085127 /nfs/dbraw/zinc/08/51/27/948085127.db2.gz 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/nfs/dbraw/zinc/22/27/54/948222754.db2.gz STAVJXQLBGEMQY-KPZWWZAWSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573435229 948225678 /nfs/dbraw/zinc/22/56/78/948225678.db2.gz UXPYXKXVOQSEIJ-FVMDXXJSSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573435121 948225691 /nfs/dbraw/zinc/22/56/91/948225691.db2.gz ZOOCCFJXOBWRKU-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CCC([C@H]2OCCC[C@@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573435121 948225695 /nfs/dbraw/zinc/22/56/95/948225695.db2.gz ZOOCCFJXOBWRKU-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573435234 948225776 /nfs/dbraw/zinc/22/57/76/948225776.db2.gz UXPYXKXVOQSEIJ-XXFAHNHDSA-N -1 3 392.489 0.807 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccsc1 ZINC001573690569 948226475 /nfs/dbraw/zinc/22/64/75/948226475.db2.gz DPWOREMXBRUOCQ-CABZTGNLSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccsc1 ZINC001573690569 948226485 /nfs/dbraw/zinc/22/64/85/948226485.db2.gz DPWOREMXBRUOCQ-CABZTGNLSA-N -1 3 389.441 0.267 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573435295 948228752 /nfs/dbraw/zinc/22/87/52/948228752.db2.gz VJEQBIKIBHZFMA-UGSOOPFHSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573435295 948228760 /nfs/dbraw/zinc/22/87/60/948228760.db2.gz VJEQBIKIBHZFMA-UGSOOPFHSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1)S(C)(=O)=O ZINC001573690760 948230209 /nfs/dbraw/zinc/23/02/09/948230209.db2.gz AUXPZBFPMURKJY-JTQLQIEISA-N -1 3 379.446 0.146 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1)S(C)(=O)=O ZINC001573690760 948230217 /nfs/dbraw/zinc/23/02/17/948230217.db2.gz AUXPZBFPMURKJY-JTQLQIEISA-N -1 3 379.446 0.146 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573435667 948233593 /nfs/dbraw/zinc/23/35/93/948233593.db2.gz ZAEAVYANRLVHPP-KPZWWZAWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573435667 948233602 /nfs/dbraw/zinc/23/36/02/948233602.db2.gz ZAEAVYANRLVHPP-KPZWWZAWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573435685 948233723 /nfs/dbraw/zinc/23/37/23/948233723.db2.gz ZJLKVCXALFXCCV-ACJLOTCBSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573435685 948233728 /nfs/dbraw/zinc/23/37/28/948233728.db2.gz ZJLKVCXALFXCCV-ACJLOTCBSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573438620 948236815 /nfs/dbraw/zinc/23/68/15/948236815.db2.gz DCDDHRLILMPXDG-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573438620 948236824 /nfs/dbraw/zinc/23/68/24/948236824.db2.gz DCDDHRLILMPXDG-TZMCWYRMSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573438607 948238274 /nfs/dbraw/zinc/23/82/74/948238274.db2.gz CZXYPLXWUZTYHF-GXTWGEPZSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573438607 948238282 /nfs/dbraw/zinc/23/82/82/948238282.db2.gz CZXYPLXWUZTYHF-GXTWGEPZSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573691212 948239488 /nfs/dbraw/zinc/23/94/88/948239488.db2.gz IJAKPUDSBNTFDX-JQWIXIFHSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573691212 948239498 /nfs/dbraw/zinc/23/94/98/948239498.db2.gz IJAKPUDSBNTFDX-JQWIXIFHSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573691211 948239822 /nfs/dbraw/zinc/23/98/22/948239822.db2.gz IJAKPUDSBNTFDX-CMPLNLGQSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573691211 948239832 /nfs/dbraw/zinc/23/98/32/948239832.db2.gz IJAKPUDSBNTFDX-CMPLNLGQSA-N -1 3 375.433 0.228 20 0 GCADHM CC(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001573439067 948241376 /nfs/dbraw/zinc/24/13/76/948241376.db2.gz IIZBTFHGZBKNNH-DZGCQCFKSA-N -1 3 385.428 0.294 20 0 GCADHM CC(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001573439067 948241387 /nfs/dbraw/zinc/24/13/87/948241387.db2.gz IIZBTFHGZBKNNH-DZGCQCFKSA-N -1 3 385.428 0.294 20 0 GCADHM O=C(CCNc1cnccc1-c1nnn[n-]1)N1CCN(c2ccccn2)CC1 ZINC000826407833 948241417 /nfs/dbraw/zinc/24/14/17/948241417.db2.gz CZKSHCDXLXWQKR-UHFFFAOYSA-N -1 3 379.428 0.808 20 0 GCADHM O=C(CCNc1cnccc1-c1nn[n-]n1)N1CCN(c2ccccn2)CC1 ZINC000826407833 948241424 /nfs/dbraw/zinc/24/14/24/948241424.db2.gz CZKSHCDXLXWQKR-UHFFFAOYSA-N -1 3 379.428 0.808 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573439204 948244601 /nfs/dbraw/zinc/24/46/01/948244601.db2.gz JMGAIIKKGJIWKK-LBPRGKRZSA-N -1 3 390.423 0.530 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573439204 948244607 /nfs/dbraw/zinc/24/46/07/948244607.db2.gz JMGAIIKKGJIWKK-LBPRGKRZSA-N -1 3 390.423 0.530 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573691732 948245808 /nfs/dbraw/zinc/24/58/08/948245808.db2.gz JQPGMDLSAONMBH-PWSUYJOCSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573691732 948245812 /nfs/dbraw/zinc/24/58/12/948245812.db2.gz JQPGMDLSAONMBH-PWSUYJOCSA-N -1 3 375.433 0.180 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573439572 948246964 /nfs/dbraw/zinc/24/69/64/948246964.db2.gz MVUDOXBUBRFBON-CQSZACIVSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573439572 948246979 /nfs/dbraw/zinc/24/69/79/948246979.db2.gz MVUDOXBUBRFBON-CQSZACIVSA-N -1 3 386.460 0.699 20 0 GCADHM O=C(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ccc(-n2cncn2)cc1 ZINC000826411556 948248847 /nfs/dbraw/zinc/24/88/47/948248847.db2.gz DDHRIZYQQHRLKJ-UHFFFAOYSA-N -1 3 378.356 0.144 20 0 GCADHM O=C(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ccc(-n2cncn2)cc1 ZINC000826411556 948248857 /nfs/dbraw/zinc/24/88/57/948248857.db2.gz DDHRIZYQQHRLKJ-UHFFFAOYSA-N -1 3 378.356 0.144 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573691884 948249868 /nfs/dbraw/zinc/24/98/68/948249868.db2.gz KUTYAOZRVMXYJK-ZWNOBZJWSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573691884 948249877 /nfs/dbraw/zinc/24/98/77/948249877.db2.gz KUTYAOZRVMXYJK-ZWNOBZJWSA-N -1 3 375.433 0.228 20 0 GCADHM O=C(COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccc(F)cc1 ZINC000826414677 948253812 /nfs/dbraw/zinc/25/38/12/948253812.db2.gz FECIMZLPEZABDU-INIZCTEOSA-N -1 3 385.355 0.899 20 0 GCADHM O=C(COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccc(F)cc1 ZINC000826414677 948253821 /nfs/dbraw/zinc/25/38/21/948253821.db2.gz FECIMZLPEZABDU-INIZCTEOSA-N -1 3 385.355 0.899 20 0 GCADHM O=C(COC(=O)c1ccn(C(F)F)n1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826416144 948255951 /nfs/dbraw/zinc/25/59/51/948255951.db2.gz KJHFULFEUOCEIP-UHFFFAOYSA-N -1 3 377.311 0.932 20 0 GCADHM O=C(COC(=O)c1ccn(C(F)F)n1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826416144 948255960 /nfs/dbraw/zinc/25/59/60/948255960.db2.gz KJHFULFEUOCEIP-UHFFFAOYSA-N -1 3 377.311 0.932 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573439879 948257318 /nfs/dbraw/zinc/25/73/18/948257318.db2.gz VIJBYCQSKZKUQU-WFASDCNBSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573439879 948257327 /nfs/dbraw/zinc/25/73/27/948257327.db2.gz VIJBYCQSKZKUQU-WFASDCNBSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@H](OCC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001573440003 948257614 /nfs/dbraw/zinc/25/76/14/948257614.db2.gz YBEOZICVCFJXTM-CQSZACIVSA-N -1 3 387.444 0.684 20 0 GCADHM CC(=O)N1CC[C@@H](OCC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573440003 948257621 /nfs/dbraw/zinc/25/76/21/948257621.db2.gz YBEOZICVCFJXTM-CQSZACIVSA-N -1 3 387.444 0.684 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccnc(CO)c1 ZINC000826420111 948263574 /nfs/dbraw/zinc/26/35/74/948263574.db2.gz YQVYTIUKSLZZKH-UHFFFAOYSA-N -1 3 388.409 0.308 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccnc(CO)c1 ZINC000826420111 948263582 /nfs/dbraw/zinc/26/35/82/948263582.db2.gz YQVYTIUKSLZZKH-UHFFFAOYSA-N -1 3 388.409 0.308 20 0 GCADHM O=C(CSc1nnc2ccccn21)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826421386 948268687 /nfs/dbraw/zinc/26/86/87/948268687.db2.gz GCXNENIPQNXCBQ-UHFFFAOYSA-N -1 3 396.440 0.625 20 0 GCADHM O=C(CSc1nnc2ccccn21)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826421386 948268694 /nfs/dbraw/zinc/26/86/94/948268694.db2.gz GCXNENIPQNXCBQ-UHFFFAOYSA-N -1 3 396.440 0.625 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1)C1CC1 ZINC001573692598 948268989 /nfs/dbraw/zinc/26/89/89/948268989.db2.gz QYRFJFZIINOMCQ-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1)C1CC1 ZINC001573692598 948268999 /nfs/dbraw/zinc/26/89/99/948268999.db2.gz QYRFJFZIINOMCQ-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM O=C(Cn1cccnc1=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826424531 948272203 /nfs/dbraw/zinc/27/22/03/948272203.db2.gz QLQQICSKJQNDDE-UHFFFAOYSA-N -1 3 397.786 0.901 20 0 GCADHM O=C(Cn1cccnc1=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826424531 948272214 /nfs/dbraw/zinc/27/22/14/948272214.db2.gz QLQQICSKJQNDDE-UHFFFAOYSA-N -1 3 397.786 0.901 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573441690 948275152 /nfs/dbraw/zinc/27/51/52/948275152.db2.gz MORJDKIHZBYLFI-QMTHXVAHSA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573441690 948275156 /nfs/dbraw/zinc/27/51/56/948275156.db2.gz MORJDKIHZBYLFI-QMTHXVAHSA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCCNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573441961 948282111 /nfs/dbraw/zinc/28/21/11/948282111.db2.gz DFHBNFQFXXOFLW-CQSZACIVSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573441961 948282121 /nfs/dbraw/zinc/28/21/21/948282121.db2.gz DFHBNFQFXXOFLW-CQSZACIVSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573442019 948284674 /nfs/dbraw/zinc/28/46/74/948284674.db2.gz QGKPLGRQTWZJIY-JOYOIKCWSA-N -1 3 392.489 0.901 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1)C1CC1 ZINC001573693783 948286913 /nfs/dbraw/zinc/28/69/13/948286913.db2.gz TZFKBWFZSWMEHF-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1)C1CC1 ZINC001573693783 948286921 /nfs/dbraw/zinc/28/69/21/948286921.db2.gz TZFKBWFZSWMEHF-NSHDSACASA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C1CC1 ZINC001573693826 948289406 /nfs/dbraw/zinc/28/94/06/948289406.db2.gz UJHCSVAGPNZDHC-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C1CC1 ZINC001573693826 948289414 /nfs/dbraw/zinc/28/94/14/948289414.db2.gz UJHCSVAGPNZDHC-VOJFVSQTSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC001573442333 948290923 /nfs/dbraw/zinc/29/09/23/948290923.db2.gz GXAMFZOJSCWTJI-HNNXBMFYSA-N -1 3 395.427 0.704 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC001573442333 948290932 /nfs/dbraw/zinc/29/09/32/948290932.db2.gz GXAMFZOJSCWTJI-HNNXBMFYSA-N -1 3 395.427 0.704 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCCO1 ZINC001573694268 948291100 /nfs/dbraw/zinc/29/11/00/948291100.db2.gz CAFNIIWMTNFHEV-DGCLKSJQSA-N -1 3 392.485 0.406 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573442352 948291868 /nfs/dbraw/zinc/29/18/68/948291868.db2.gz HCCDUDMCVDQPLB-SWLSCSKDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573442352 948291875 /nfs/dbraw/zinc/29/18/75/948291875.db2.gz HCCDUDMCVDQPLB-SWLSCSKDSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC[C@H](N2CCN(Cc3ccccc3-c3nnn[n-]3)CC2=O)C1 ZINC001573442296 948291941 /nfs/dbraw/zinc/29/19/41/948291941.db2.gz GSIXCIFPGCKCCB-INIZCTEOSA-N -1 3 383.456 0.522 20 0 GCADHM CC(=O)N1CCC[C@H](N2CCN(Cc3ccccc3-c3nn[n-]n3)CC2=O)C1 ZINC001573442296 948291950 /nfs/dbraw/zinc/29/19/50/948291950.db2.gz GSIXCIFPGCKCCB-INIZCTEOSA-N -1 3 383.456 0.522 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573442486 948292454 /nfs/dbraw/zinc/29/24/54/948292454.db2.gz IGURUBZYYDCSFV-MELADBBJSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573442486 948292460 /nfs/dbraw/zinc/29/24/60/948292460.db2.gz IGURUBZYYDCSFV-MELADBBJSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@H](n2cc(CNc3ncc(-c4nnn[n-]4)cc3F)nn2)C1 ZINC001573442480 948292670 /nfs/dbraw/zinc/29/26/70/948292670.db2.gz WLNUOFKSYLIKAN-ZDUSSCGKSA-N -1 3 386.395 0.788 20 0 GCADHM CC(=O)N1CCC[C@H](n2cc(CNc3ncc(-c4nn[n-]n4)cc3F)nn2)C1 ZINC001573442480 948292678 /nfs/dbraw/zinc/29/26/78/948292678.db2.gz WLNUOFKSYLIKAN-ZDUSSCGKSA-N -1 3 386.395 0.788 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccs1 ZINC001573695169 948302142 /nfs/dbraw/zinc/30/21/42/948302142.db2.gz XBJBFGOIHXGQRE-VHSXEESVSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccs1 ZINC001573695169 948302151 /nfs/dbraw/zinc/30/21/51/948302151.db2.gz XBJBFGOIHXGQRE-VHSXEESVSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@H](C(=O)NCC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573695223 948302546 /nfs/dbraw/zinc/30/25/46/948302546.db2.gz FJFSWWKDHQHBOJ-LKSINWNRSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NCC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573695223 948302555 /nfs/dbraw/zinc/30/25/55/948302555.db2.gz FJFSWWKDHQHBOJ-LKSINWNRSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCC1 ZINC001573695278 948303148 /nfs/dbraw/zinc/30/31/48/948303148.db2.gz FYADBBHMXJIPOD-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCC1 ZINC001573695278 948303158 /nfs/dbraw/zinc/30/31/58/948303158.db2.gz FYADBBHMXJIPOD-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM O=C(NCc1cn(-c2ccccc2)nn1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443589 948306056 /nfs/dbraw/zinc/30/60/56/948306056.db2.gz WKZWWHJJNUOAHH-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1cn(-c2ccccc2)nn1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443589 948306064 /nfs/dbraw/zinc/30/60/64/948306064.db2.gz WKZWWHJJNUOAHH-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573443776 948306923 /nfs/dbraw/zinc/30/69/23/948306923.db2.gz OTVSWFDMXCUYSM-BXUZGUMPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573443776 948306931 /nfs/dbraw/zinc/30/69/31/948306931.db2.gz OTVSWFDMXCUYSM-BXUZGUMPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573443811 948307072 /nfs/dbraw/zinc/30/70/72/948307072.db2.gz PROVWDZBBXPFKF-JOYOIKCWSA-N -1 3 392.489 0.807 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826452189 948320835 /nfs/dbraw/zinc/32/08/35/948320835.db2.gz KNWAOAYHZJWOOK-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826452189 948320842 /nfs/dbraw/zinc/32/08/42/948320842.db2.gz KNWAOAYHZJWOOK-CYBMUJFWSA-N -1 3 394.819 0.362 20 0 GCADHM CC(=O)N1CCC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2=O)C1 ZINC001573445113 948321582 /nfs/dbraw/zinc/32/15/82/948321582.db2.gz YOSZVQFEIFLCOB-AWEZNQCLSA-N -1 3 384.444 0.230 20 0 GCADHM CC(=O)N1CCC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2=O)C1 ZINC001573445113 948321590 /nfs/dbraw/zinc/32/15/90/948321590.db2.gz YOSZVQFEIFLCOB-AWEZNQCLSA-N -1 3 384.444 0.230 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573445088 948322115 /nfs/dbraw/zinc/32/21/15/948322115.db2.gz YCDYSNTUHNMGIX-ZDUSSCGKSA-N -1 3 389.435 0.817 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573445088 948322122 /nfs/dbraw/zinc/32/21/22/948322122.db2.gz YCDYSNTUHNMGIX-ZDUSSCGKSA-N -1 3 389.435 0.817 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000826452834 948323368 /nfs/dbraw/zinc/32/33/68/948323368.db2.gz KRHUZRSNSVKQCD-CJNGLKHVSA-N -1 3 392.441 0.725 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000826452834 948323377 /nfs/dbraw/zinc/32/33/77/948323377.db2.gz KRHUZRSNSVKQCD-CJNGLKHVSA-N -1 3 392.441 0.725 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573445276 948325452 /nfs/dbraw/zinc/32/54/52/948325452.db2.gz ZGVABUIWYFIXHO-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573445276 948325461 /nfs/dbraw/zinc/32/54/61/948325461.db2.gz ZGVABUIWYFIXHO-CQSZACIVSA-N -1 3 386.460 0.381 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1)n1cccc1 ZINC001573696507 948326540 /nfs/dbraw/zinc/32/65/40/948326540.db2.gz RQBYRTIUVACRAZ-LBPRGKRZSA-N -1 3 387.469 0.654 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573446219 948327408 /nfs/dbraw/zinc/32/74/08/948327408.db2.gz ATPOZIHVIWOSSR-DZGCQCFKSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573446219 948327417 /nfs/dbraw/zinc/32/74/17/948327417.db2.gz ATPOZIHVIWOSSR-DZGCQCFKSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573446220 948327484 /nfs/dbraw/zinc/32/74/84/948327484.db2.gz ATPOZIHVIWOSSR-UKRRQHHQSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573446220 948327491 /nfs/dbraw/zinc/32/74/91/948327491.db2.gz ATPOZIHVIWOSSR-UKRRQHHQSA-N -1 3 384.444 0.676 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001573446436 948330306 /nfs/dbraw/zinc/33/03/06/948330306.db2.gz GEGOLFFMKMKWSY-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001573446436 948330316 /nfs/dbraw/zinc/33/03/16/948330316.db2.gz GEGOLFFMKMKWSY-HUUCEWRRSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573696730 948332531 /nfs/dbraw/zinc/33/25/31/948332531.db2.gz WOHCNJXBMCCWAT-JTQLQIEISA-N -1 3 384.362 0.728 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573696730 948332540 /nfs/dbraw/zinc/33/25/40/948332540.db2.gz WOHCNJXBMCCWAT-JTQLQIEISA-N -1 3 384.362 0.728 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573446614 948333600 /nfs/dbraw/zinc/33/36/00/948333600.db2.gz KMSCRRDJMVARHR-NWDGAFQWSA-N -1 3 390.473 0.655 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCC1)[C@H]1CCC(=O)N1 ZINC001573696814 948334434 /nfs/dbraw/zinc/33/44/34/948334434.db2.gz XKGHJHNVIIFNTK-DGCLKSJQSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573696814 948334445 /nfs/dbraw/zinc/33/44/45/948334445.db2.gz XKGHJHNVIIFNTK-DGCLKSJQSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)n1cccn1 ZINC001573696800 948334804 /nfs/dbraw/zinc/33/48/04/948334804.db2.gz XFERIQUNLMMFDN-CYUUQNCZSA-N -1 3 379.428 0.518 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)n1cccn1 ZINC001573696800 948334811 /nfs/dbraw/zinc/33/48/11/948334811.db2.gz XFERIQUNLMMFDN-CYUUQNCZSA-N -1 3 379.428 0.518 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573446919 948337369 /nfs/dbraw/zinc/33/73/69/948337369.db2.gz RUNZMMHOUDFPTA-TZMCWYRMSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573446919 948337377 /nfs/dbraw/zinc/33/73/77/948337377.db2.gz RUNZMMHOUDFPTA-TZMCWYRMSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573446897 948337419 /nfs/dbraw/zinc/33/74/19/948337419.db2.gz RAZOMXYKEPVGFF-IUODEOHRSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573446897 948337426 /nfs/dbraw/zinc/33/74/26/948337426.db2.gz RAZOMXYKEPVGFF-IUODEOHRSA-N -1 3 386.460 0.522 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573701943 948340649 /nfs/dbraw/zinc/34/06/49/948340649.db2.gz BTJWNRPLCIHGIC-NWDGAFQWSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573701943 948340656 /nfs/dbraw/zinc/34/06/56/948340656.db2.gz BTJWNRPLCIHGIC-NWDGAFQWSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573701860 948341581 /nfs/dbraw/zinc/34/15/81/948341581.db2.gz BLMYLGAOARFZGF-OLZOCXBDSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCCN1c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573701860 948341591 /nfs/dbraw/zinc/34/15/91/948341591.db2.gz BLMYLGAOARFZGF-OLZOCXBDSA-N -1 3 382.432 0.590 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)N1CC=CCC1 ZINC000826460598 948344258 /nfs/dbraw/zinc/34/42/58/948344258.db2.gz JPPGRIPAHIMOFC-UHFFFAOYSA-N -1 3 379.384 0.234 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)N1CC=CCC1 ZINC000826460598 948344270 /nfs/dbraw/zinc/34/42/70/948344270.db2.gz JPPGRIPAHIMOFC-UHFFFAOYSA-N -1 3 379.384 0.234 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573703627 948358017 /nfs/dbraw/zinc/35/80/17/948358017.db2.gz LJTANZRJBLXYAJ-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573703627 948358024 /nfs/dbraw/zinc/35/80/24/948358024.db2.gz LJTANZRJBLXYAJ-STQMWFEESA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001573704499 948373522 /nfs/dbraw/zinc/37/35/22/948373522.db2.gz BHQJQBVFPULXDY-NXEZZACHSA-N -1 3 384.487 0.052 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573704533 948377022 /nfs/dbraw/zinc/37/70/22/948377022.db2.gz BRYNVZFSMUDXJE-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573704533 948377030 /nfs/dbraw/zinc/37/70/30/948377030.db2.gz BRYNVZFSMUDXJE-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573704678 948379790 /nfs/dbraw/zinc/37/97/90/948379790.db2.gz CJPWIKOWEGNUQZ-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573704678 948379795 /nfs/dbraw/zinc/37/97/95/948379795.db2.gz CJPWIKOWEGNUQZ-NWDGAFQWSA-N -1 3 383.416 0.231 20 0 GCADHM O=C1NC[C@H]2CN([C@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476398 948380832 /nfs/dbraw/zinc/38/08/32/948380832.db2.gz GUDDJCAKRVNNJZ-GJZGRUSLSA-N -1 3 382.428 0.072 20 0 GCADHM O=C1NC[C@H]2CN([C@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476398 948380839 /nfs/dbraw/zinc/38/08/39/948380839.db2.gz GUDDJCAKRVNNJZ-GJZGRUSLSA-N -1 3 382.428 0.072 20 0 GCADHM O=C1OC[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCN12 ZINC000826476390 948381834 /nfs/dbraw/zinc/38/18/34/948381834.db2.gz GLFVGSHNGCLYLB-GJZGRUSLSA-N -1 3 383.412 0.499 20 0 GCADHM O=C1OC[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCN12 ZINC000826476390 948381840 /nfs/dbraw/zinc/38/18/40/948381840.db2.gz GLFVGSHNGCLYLB-GJZGRUSLSA-N -1 3 383.412 0.499 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573704813 948383793 /nfs/dbraw/zinc/38/37/93/948383793.db2.gz FDJQDNZVFKUYTC-RKDXNWHRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573704813 948383799 /nfs/dbraw/zinc/38/37/99/948383799.db2.gz FDJQDNZVFKUYTC-RKDXNWHRSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](C(=O)NCC1CC(Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573705035 948389540 /nfs/dbraw/zinc/38/95/40/948389540.db2.gz VFQDABSWPZUGNE-KPPDAEKUSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NCC1CC(Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573705035 948389550 /nfs/dbraw/zinc/38/95/50/948389550.db2.gz VFQDABSWPZUGNE-KPPDAEKUSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573705074 948390984 /nfs/dbraw/zinc/39/09/84/948390984.db2.gz VOTARNUCOUIGDM-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573705074 948390992 /nfs/dbraw/zinc/39/09/92/948390992.db2.gz VOTARNUCOUIGDM-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@H]1CCC(=O)NC1=O ZINC000826479703 948391985 /nfs/dbraw/zinc/39/19/85/948391985.db2.gz GDUWLVOKEQZNIJ-ZETCQYMHSA-N -1 3 381.299 0.395 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@H]1CCC(=O)NC1=O ZINC000826479703 948391991 /nfs/dbraw/zinc/39/19/91/948391991.db2.gz GDUWLVOKEQZNIJ-ZETCQYMHSA-N -1 3 381.299 0.395 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C(C)(C)C ZINC001573705174 948392745 /nfs/dbraw/zinc/39/27/45/948392745.db2.gz GKLZSAXLSDUBNN-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C(C)(C)C ZINC001573705174 948392749 /nfs/dbraw/zinc/39/27/49/948392749.db2.gz GKLZSAXLSDUBNN-NEPJUHHUSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573705210 948393411 /nfs/dbraw/zinc/39/34/11/948393411.db2.gz DMHKGWJWADZCAY-GWCFXTLKSA-N -1 3 375.408 0.768 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573705210 948393416 /nfs/dbraw/zinc/39/34/16/948393416.db2.gz DMHKGWJWADZCAY-GWCFXTLKSA-N -1 3 375.408 0.768 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573705213 948394290 /nfs/dbraw/zinc/39/42/90/948394290.db2.gz DMHKGWJWADZCAY-GXFFZTMASA-N -1 3 375.408 0.768 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573705213 948394292 /nfs/dbraw/zinc/39/42/92/948394292.db2.gz DMHKGWJWADZCAY-GXFFZTMASA-N -1 3 375.408 0.768 20 0 GCADHM O=C1C[C@@H](N2CCC3(COC(=O)N3)CC2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000826482460 948395355 /nfs/dbraw/zinc/39/53/55/948395355.db2.gz FOIJXRASXAUPSL-CYBMUJFWSA-N -1 3 397.395 0.073 20 0 GCADHM O=C1C[C@@H](N2CCC3(COC(=O)N3)CC2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000826482460 948395363 /nfs/dbraw/zinc/39/53/63/948395363.db2.gz FOIJXRASXAUPSL-CYBMUJFWSA-N -1 3 397.395 0.073 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)C(C)(F)F ZINC001573705610 948403943 /nfs/dbraw/zinc/40/39/43/948403943.db2.gz GJCZFUGYUDTIEL-PWSUYJOCSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)C(C)(F)F ZINC001573705610 948403948 /nfs/dbraw/zinc/40/39/48/948403948.db2.gz GJCZFUGYUDTIEL-PWSUYJOCSA-N -1 3 381.387 0.874 20 0 GCADHM O=S(=O)(NCCn1ccnn1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826491522 948404311 /nfs/dbraw/zinc/40/43/11/948404311.db2.gz NCMPWWJLRQQSTE-UHFFFAOYSA-N -1 3 388.335 0.456 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573706514 948420216 /nfs/dbraw/zinc/42/02/16/948420216.db2.gz LLAHJPBSSNHHGH-CHWSQXEVSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573706514 948420221 /nfs/dbraw/zinc/42/02/21/948420221.db2.gz LLAHJPBSSNHHGH-CHWSQXEVSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)n1cncn1 ZINC001573706970 948426475 /nfs/dbraw/zinc/42/64/75/948426475.db2.gz MPCRLLBRSRBPGH-YPMHNXCESA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)n1cncn1 ZINC001573706970 948426484 /nfs/dbraw/zinc/42/64/84/948426484.db2.gz MPCRLLBRSRBPGH-YPMHNXCESA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573707128 948428112 /nfs/dbraw/zinc/42/81/12/948428112.db2.gz MZXVSNYCWDGEHG-IUCAKERBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573707128 948428115 /nfs/dbraw/zinc/42/81/15/948428115.db2.gz MZXVSNYCWDGEHG-IUCAKERBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](C(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573707207 948430600 /nfs/dbraw/zinc/43/06/00/948430600.db2.gz NBVJJZMZTHCTEH-ZZKXABKFSA-N -1 3 387.444 0.660 20 0 GCADHM C[C@@H](C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573707207 948430603 /nfs/dbraw/zinc/43/06/03/948430603.db2.gz NBVJJZMZTHCTEH-ZZKXABKFSA-N -1 3 387.444 0.660 20 0 GCADHM CC(C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1)=C1CCC1 ZINC001573707271 948431546 /nfs/dbraw/zinc/43/15/46/948431546.db2.gz OKGLORNVLPTSOT-CQSZACIVSA-N -1 3 385.428 0.652 20 0 GCADHM CC(C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1)=C1CCC1 ZINC001573707271 948431550 /nfs/dbraw/zinc/43/15/50/948431550.db2.gz OKGLORNVLPTSOT-CQSZACIVSA-N -1 3 385.428 0.652 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573707960 948441461 /nfs/dbraw/zinc/44/14/61/948441461.db2.gz QKOITZBDMJQOQD-AAEUAGOBSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573707960 948441465 /nfs/dbraw/zinc/44/14/65/948441465.db2.gz QKOITZBDMJQOQD-AAEUAGOBSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCC1 ZINC001573708288 948446284 /nfs/dbraw/zinc/44/62/84/948446284.db2.gz SUAFQRJVHFWJLP-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCC1 ZINC001573708288 948446291 /nfs/dbraw/zinc/44/62/91/948446291.db2.gz SUAFQRJVHFWJLP-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NCC=CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cncnc1 ZINC001573708227 948446969 /nfs/dbraw/zinc/44/69/69/948446969.db2.gz SBOZFCZIIBBHRT-QUCGXOGASA-N -1 3 381.400 0.191 20 0 GCADHM C[C@H](C(=O)NCC=CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cncnc1 ZINC001573708227 948446973 /nfs/dbraw/zinc/44/69/73/948446973.db2.gz SBOZFCZIIBBHRT-QUCGXOGASA-N -1 3 381.400 0.191 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cccn1 ZINC001573708482 948451264 /nfs/dbraw/zinc/45/12/64/948451264.db2.gz VGBXMUMWEMEEQD-GXTWGEPZSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cccn1 ZINC001573708482 948451270 /nfs/dbraw/zinc/45/12/70/948451270.db2.gz VGBXMUMWEMEEQD-GXTWGEPZSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cccn1 ZINC001573708485 948452193 /nfs/dbraw/zinc/45/21/93/948452193.db2.gz VGBXMUMWEMEEQD-TZMCWYRMSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cccn1 ZINC001573708485 948452200 /nfs/dbraw/zinc/45/22/00/948452200.db2.gz VGBXMUMWEMEEQD-TZMCWYRMSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1)C1CC1 ZINC001573708592 948454191 /nfs/dbraw/zinc/45/41/91/948454191.db2.gz WAZMSDCWKVQPNF-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1)C1CC1 ZINC001573708592 948454203 /nfs/dbraw/zinc/45/42/03/948454203.db2.gz WAZMSDCWKVQPNF-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM c1cnc(N2CCN(c3ccc(N4CCCC4)nn3)CC2)c(-c2nnn[n-]2)c1 ZINC000826525414 948462933 /nfs/dbraw/zinc/46/29/33/948462933.db2.gz JERPOMMZTNFWMB-UHFFFAOYSA-N -1 3 378.444 0.979 20 0 GCADHM c1cnc(N2CCN(c3ccc(N4CCCC4)nn3)CC2)c(-c2nn[n-]n2)c1 ZINC000826525414 948462937 /nfs/dbraw/zinc/46/29/37/948462937.db2.gz JERPOMMZTNFWMB-UHFFFAOYSA-N -1 3 378.444 0.979 20 0 GCADHM CS(=O)(=O)CCOc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001166429313 948486692 /nfs/dbraw/zinc/48/66/92/948486692.db2.gz YDZTYZFRIMZIJO-UHFFFAOYSA-N -1 3 388.409 0.937 20 0 GCADHM CS(=O)(=O)CCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001166429313 948486696 /nfs/dbraw/zinc/48/66/96/948486696.db2.gz YDZTYZFRIMZIJO-UHFFFAOYSA-N -1 3 388.409 0.937 20 0 GCADHM Nc1ncc(Br)cc1CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001160330193 948486821 /nfs/dbraw/zinc/48/68/21/948486821.db2.gz YXIXMLACULSHTL-UHFFFAOYSA-N -1 3 375.190 0.931 20 0 GCADHM Nc1ncc(Br)cc1CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001160330193 948486826 /nfs/dbraw/zinc/48/68/26/948486826.db2.gz YXIXMLACULSHTL-UHFFFAOYSA-N -1 3 375.190 0.931 20 0 GCADHM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573715304 948487955 /nfs/dbraw/zinc/48/79/55/948487955.db2.gz SZWBWYFEJPQSSE-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NCC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573715304 948487957 /nfs/dbraw/zinc/48/79/57/948487957.db2.gz SZWBWYFEJPQSSE-CHWSQXEVSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573717369 948506103 /nfs/dbraw/zinc/50/61/03/948506103.db2.gz LYGVCTBYLWUZIJ-VHSXEESVSA-N -1 3 384.437 0.746 20 0 GCADHM C[C@H](C(=O)NCC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573717369 948506108 /nfs/dbraw/zinc/50/61/08/948506108.db2.gz LYGVCTBYLWUZIJ-VHSXEESVSA-N -1 3 384.437 0.746 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573717149 948506975 /nfs/dbraw/zinc/50/69/75/948506975.db2.gz CEDASZIYYABDKY-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573717149 948506978 /nfs/dbraw/zinc/50/69/78/948506978.db2.gz CEDASZIYYABDKY-LLVKDONJSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCC(=O)N1 ZINC001573718730 948520154 /nfs/dbraw/zinc/52/01/54/948520154.db2.gz JSSIMLVQBDMZQV-BXKDBHETSA-N -1 3 392.851 0.382 20 0 GCADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCC(=O)N1 ZINC001573718730 948520159 /nfs/dbraw/zinc/52/01/59/948520159.db2.gz JSSIMLVQBDMZQV-BXKDBHETSA-N -1 3 392.851 0.382 20 0 GCADHM C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573719987 948531070 /nfs/dbraw/zinc/53/10/70/948531070.db2.gz ZIQKBWWHPJSTHW-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573719987 948531076 /nfs/dbraw/zinc/53/10/76/948531076.db2.gz ZIQKBWWHPJSTHW-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cn1 ZINC001525060104 948538256 /nfs/dbraw/zinc/53/82/56/948538256.db2.gz SACWHVVJWIKNOU-UHFFFAOYSA-N -1 3 391.388 0.903 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cn1 ZINC001525060104 948538266 /nfs/dbraw/zinc/53/82/66/948538266.db2.gz SACWHVVJWIKNOU-UHFFFAOYSA-N -1 3 391.388 0.903 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C)n1cncn1 ZINC001573727414 948553415 /nfs/dbraw/zinc/55/34/15/948553415.db2.gz NKJUOUROLMMAQT-MBNYWOFBSA-N -1 3 382.432 0.303 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C)n1cncn1 ZINC001573727414 948553424 /nfs/dbraw/zinc/55/34/24/948553424.db2.gz NKJUOUROLMMAQT-MBNYWOFBSA-N -1 3 382.432 0.303 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573728322 948562127 /nfs/dbraw/zinc/56/21/27/948562127.db2.gz DBCSOXAYAOHQMY-AVGNSLFASA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573728322 948562133 /nfs/dbraw/zinc/56/21/33/948562133.db2.gz DBCSOXAYAOHQMY-AVGNSLFASA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NCc1ccco1)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573731886 948598157 /nfs/dbraw/zinc/59/81/57/948598157.db2.gz ZHLXKENITFUHOU-NSHDSACASA-N -1 3 386.416 0.154 20 0 GCADHM C[C@@H](C(=O)NCc1ccco1)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573731886 948598160 /nfs/dbraw/zinc/59/81/60/948598160.db2.gz ZHLXKENITFUHOU-NSHDSACASA-N -1 3 386.416 0.154 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573736252 948614653 /nfs/dbraw/zinc/61/46/53/948614653.db2.gz KWYXMPMUPJYKHR-WDEREUQCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573736252 948614656 /nfs/dbraw/zinc/61/46/56/948614656.db2.gz KWYXMPMUPJYKHR-WDEREUQCSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)n1cccc1 ZINC001573739255 948618054 /nfs/dbraw/zinc/61/80/54/948618054.db2.gz BTQBUOHKTZWICV-LERXQTSPSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)n1cccc1 ZINC001573739255 948618060 /nfs/dbraw/zinc/61/80/60/948618060.db2.gz BTQBUOHKTZWICV-LERXQTSPSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C(C)(C)C ZINC001573740143 948629715 /nfs/dbraw/zinc/62/97/15/948629715.db2.gz GCBLMKYEZBVOQW-ZWKOPEQDSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C(C)(C)C ZINC001573740143 948629721 /nfs/dbraw/zinc/62/97/21/948629721.db2.gz GCBLMKYEZBVOQW-ZWKOPEQDSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccnc1 ZINC001573740283 948630675 /nfs/dbraw/zinc/63/06/75/948630675.db2.gz HTPQRYSCUSQTFT-DFBGVHRSSA-N -1 3 380.412 0.126 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccnc1 ZINC001573740283 948630681 /nfs/dbraw/zinc/63/06/81/948630681.db2.gz HTPQRYSCUSQTFT-DFBGVHRSSA-N -1 3 380.412 0.126 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C)n1cccn1 ZINC001573740384 948633825 /nfs/dbraw/zinc/63/38/25/948633825.db2.gz NMBPEPHSJUWGKI-UHIISALHSA-N -1 3 385.407 0.799 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C)n1cccn1 ZINC001573740384 948633831 /nfs/dbraw/zinc/63/38/31/948633831.db2.gz NMBPEPHSJUWGKI-UHIISALHSA-N -1 3 385.407 0.799 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1ccsc1 ZINC001573740964 948647375 /nfs/dbraw/zinc/64/73/75/948647375.db2.gz RHIUXESOXHEDLH-HONMWMINSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1ccsc1 ZINC001573740964 948647377 /nfs/dbraw/zinc/64/73/77/948647377.db2.gz RHIUXESOXHEDLH-HONMWMINSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C1CCCC1 ZINC001573741516 948655492 /nfs/dbraw/zinc/65/54/92/948655492.db2.gz YBSPIFAXJDAENA-KMUNFCNLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C1CCCC1 ZINC001573741516 948655498 /nfs/dbraw/zinc/65/54/98/948655498.db2.gz YBSPIFAXJDAENA-KMUNFCNLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573742558 948660754 /nfs/dbraw/zinc/66/07/54/948660754.db2.gz MILGATJWZQCIRJ-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573742558 948660759 /nfs/dbraw/zinc/66/07/59/948660759.db2.gz MILGATJWZQCIRJ-RISCZKNCSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C)n1cccc1 ZINC001573742261 948661144 /nfs/dbraw/zinc/66/11/44/948661144.db2.gz JRJQZAWEPXGDRM-UPJWGTAASA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C)n1cccc1 ZINC001573742261 948661147 /nfs/dbraw/zinc/66/11/47/948661147.db2.gz JRJQZAWEPXGDRM-UPJWGTAASA-N -1 3 382.428 0.977 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573745895 948675185 /nfs/dbraw/zinc/67/51/85/948675185.db2.gz GMOTWXLFOXTLMD-ZJQBRPOHSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573745895 948675191 /nfs/dbraw/zinc/67/51/91/948675191.db2.gz GMOTWXLFOXTLMD-ZJQBRPOHSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573745900 948675876 /nfs/dbraw/zinc/67/58/76/948675876.db2.gz GQXXUAPQRWJQMA-IJLUTSLNSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573745900 948675883 /nfs/dbraw/zinc/67/58/83/948675883.db2.gz GQXXUAPQRWJQMA-IJLUTSLNSA-N -1 3 383.416 0.277 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573746117 948679703 /nfs/dbraw/zinc/67/97/03/948679703.db2.gz JPZNBJURCUWMID-ZMLRMANQSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573746117 948679709 /nfs/dbraw/zinc/67/97/09/948679709.db2.gz JPZNBJURCUWMID-ZMLRMANQSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573746369 948680491 /nfs/dbraw/zinc/68/04/91/948680491.db2.gz JDLRVDDQUWBGHN-OASPWFOLSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573746369 948680496 /nfs/dbraw/zinc/68/04/96/948680496.db2.gz JDLRVDDQUWBGHN-OASPWFOLSA-N -1 3 381.400 0.166 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573746401 948680643 /nfs/dbraw/zinc/68/06/43/948680643.db2.gz LJLRRBMSZRPMCU-WQAKAFBOSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573746401 948680646 /nfs/dbraw/zinc/68/06/46/948680646.db2.gz LJLRRBMSZRPMCU-WQAKAFBOSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573746403 948680832 /nfs/dbraw/zinc/68/08/32/948680832.db2.gz LKFCYLMQDCCKQC-JLLWLGSASA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573746403 948680836 /nfs/dbraw/zinc/68/08/36/948680836.db2.gz LKFCYLMQDCCKQC-JLLWLGSASA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001573746826 948686609 /nfs/dbraw/zinc/68/66/09/948686609.db2.gz PORHCCOWAOEQEK-UUIJZJDISA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001573746826 948686616 /nfs/dbraw/zinc/68/66/16/948686616.db2.gz PORHCCOWAOEQEK-UUIJZJDISA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001573746934 948687280 /nfs/dbraw/zinc/68/72/80/948687280.db2.gz RKFNZPSYHXQUQP-JHJVBQTASA-N -1 3 382.432 0.954 20 0 GCADHM C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001573746934 948687284 /nfs/dbraw/zinc/68/72/84/948687284.db2.gz RKFNZPSYHXQUQP-JHJVBQTASA-N -1 3 382.432 0.954 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573747406 948691103 /nfs/dbraw/zinc/69/11/03/948691103.db2.gz OVBYPNXVRCDZEF-DCAQKATOSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573747406 948691112 /nfs/dbraw/zinc/69/11/12/948691112.db2.gz OVBYPNXVRCDZEF-DCAQKATOSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001573748073 948694816 /nfs/dbraw/zinc/69/48/16/948694816.db2.gz ZXTSXUHKSJWWGX-ZSEWYUTFSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001573748073 948694821 /nfs/dbraw/zinc/69/48/21/948694821.db2.gz ZXTSXUHKSJWWGX-ZSEWYUTFSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)C(F)(F)F ZINC001573751992 948708257 /nfs/dbraw/zinc/70/82/57/948708257.db2.gz JMVLERALVKMCHX-LITAXDCLSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)C(F)(F)F ZINC001573751992 948708258 /nfs/dbraw/zinc/70/82/58/948708258.db2.gz JMVLERALVKMCHX-LITAXDCLSA-N -1 3 383.334 0.580 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)[C@@H]1CCCO1 ZINC001573753359 948717940 /nfs/dbraw/zinc/71/79/40/948717940.db2.gz RYPJUIVNAPSTNL-VOAKKNSGSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)[C@@H]1CCCO1 ZINC001573753359 948717947 /nfs/dbraw/zinc/71/79/47/948717947.db2.gz RYPJUIVNAPSTNL-VOAKKNSGSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573753436 948719509 /nfs/dbraw/zinc/71/95/09/948719509.db2.gz VCVURBADSBQMGW-GUBZILKMSA-N -1 3 382.421 0.498 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573753436 948719513 /nfs/dbraw/zinc/71/95/13/948719513.db2.gz VCVURBADSBQMGW-GUBZILKMSA-N -1 3 382.421 0.498 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)nc1 ZINC001574416353 948747348 /nfs/dbraw/zinc/74/73/48/948747348.db2.gz RTSCPVFOACDWAA-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)nc1 ZINC001574416353 948747357 /nfs/dbraw/zinc/74/73/57/948747357.db2.gz RTSCPVFOACDWAA-ZDUSSCGKSA-N -1 3 382.428 0.983 20 0 GCADHM C[C@@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574914405 948748799 /nfs/dbraw/zinc/74/87/99/948748799.db2.gz INWUXOBLRNZGLY-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574914405 948748809 /nfs/dbraw/zinc/74/88/09/948748809.db2.gz INWUXOBLRNZGLY-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)nc1 ZINC001574416606 948752481 /nfs/dbraw/zinc/75/24/81/948752481.db2.gz ZLJORBYZJWHABN-CQSZACIVSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001574416606 948752491 /nfs/dbraw/zinc/75/24/91/948752491.db2.gz ZLJORBYZJWHABN-CQSZACIVSA-N -1 3 382.428 0.983 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001573755133 948758148 /nfs/dbraw/zinc/75/81/48/948758148.db2.gz ASDCECRPQWSTLZ-DCAQKATOSA-N -1 3 380.836 0.380 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1C[C@@H](CO)[C@H](CO)C1 ZINC001573755133 948758159 /nfs/dbraw/zinc/75/81/59/948758159.db2.gz ASDCECRPQWSTLZ-DCAQKATOSA-N -1 3 380.836 0.380 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccccn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574915042 948761725 /nfs/dbraw/zinc/76/17/25/948761725.db2.gz PLGMSLNBGMDLLT-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccccn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574915042 948761729 /nfs/dbraw/zinc/76/17/29/948761729.db2.gz PLGMSLNBGMDLLT-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573755378 948764298 /nfs/dbraw/zinc/76/42/98/948764298.db2.gz CQJXOHMYXWFEIN-LLVKDONJSA-N -1 3 380.412 0.636 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573755378 948764308 /nfs/dbraw/zinc/76/43/08/948764308.db2.gz CQJXOHMYXWFEIN-LLVKDONJSA-N -1 3 380.412 0.636 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccccn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574915388 948765715 /nfs/dbraw/zinc/76/57/15/948765715.db2.gz SFHWYQTUVCOEAG-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccccn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574915388 948765729 /nfs/dbraw/zinc/76/57/29/948765729.db2.gz SFHWYQTUVCOEAG-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001574418209 948776168 /nfs/dbraw/zinc/77/61/68/948776168.db2.gz VMOCFGHCSSVYNI-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001574418209 948776185 /nfs/dbraw/zinc/77/61/85/948776185.db2.gz VMOCFGHCSSVYNI-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575224141 948778974 /nfs/dbraw/zinc/77/89/74/948778974.db2.gz JORDUBBSDBONFF-SECBINFHSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575224141 948778984 /nfs/dbraw/zinc/77/89/84/948778984.db2.gz JORDUBBSDBONFF-SECBINFHSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001575224452 948785276 /nfs/dbraw/zinc/78/52/76/948785276.db2.gz WIAWCFGAQYYMIX-SECBINFHSA-N -1 3 385.350 0.725 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001575224452 948785288 /nfs/dbraw/zinc/78/52/88/948785288.db2.gz WIAWCFGAQYYMIX-SECBINFHSA-N -1 3 385.350 0.725 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574916761 948790963 /nfs/dbraw/zinc/79/09/63/948790963.db2.gz JAJLUCIKGLBGHH-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574916761 948790975 /nfs/dbraw/zinc/79/09/75/948790975.db2.gz JAJLUCIKGLBGHH-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917040 948800062 /nfs/dbraw/zinc/80/00/62/948800062.db2.gz PKJZNIRRXJJFTB-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccncc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917040 948800077 /nfs/dbraw/zinc/80/00/77/948800077.db2.gz PKJZNIRRXJJFTB-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917025 948800921 /nfs/dbraw/zinc/80/09/21/948800921.db2.gz PAVOZKMSFFDGHW-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CNC(=O)CCc1ccnn1C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917025 948800938 /nfs/dbraw/zinc/80/09/38/948800938.db2.gz PAVOZKMSFFDGHW-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575225204 948801371 /nfs/dbraw/zinc/80/13/71/948801371.db2.gz XRSJZIYBAYQMJW-MRXNPFEDSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575225204 948801391 /nfs/dbraw/zinc/80/13/91/948801391.db2.gz XRSJZIYBAYQMJW-MRXNPFEDSA-N -1 3 381.387 0.755 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574421794 948823052 /nfs/dbraw/zinc/82/30/52/948823052.db2.gz PIMOVHHSLHPZCG-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574421794 948823074 /nfs/dbraw/zinc/82/30/74/948823074.db2.gz PIMOVHHSLHPZCG-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574081228 948823076 /nfs/dbraw/zinc/82/30/76/948823076.db2.gz RCLRMARWIBCOIP-OAHLLOKOSA-N -1 3 376.440 0.494 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574081228 948823095 /nfs/dbraw/zinc/82/30/95/948823095.db2.gz RCLRMARWIBCOIP-OAHLLOKOSA-N -1 3 376.440 0.494 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574421980 948826276 /nfs/dbraw/zinc/82/62/76/948826276.db2.gz SLQVKKIVYRQREL-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1ccoc1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574421980 948826293 /nfs/dbraw/zinc/82/62/93/948826293.db2.gz SLQVKKIVYRQREL-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917792 948829087 /nfs/dbraw/zinc/82/90/87/948829087.db2.gz BSYYOVFLLTVJAI-CYBMUJFWSA-N -1 3 384.444 0.959 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917792 948829095 /nfs/dbraw/zinc/82/90/95/948829095.db2.gz BSYYOVFLLTVJAI-CYBMUJFWSA-N -1 3 384.444 0.959 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001574081547 948831335 /nfs/dbraw/zinc/83/13/35/948831335.db2.gz UIPBKRQRCFBVCL-AWEZNQCLSA-N -1 3 391.455 0.065 20 0 GCADHM CC(C)[C@H](F)C(=O)NCCN1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574081547 948831355 /nfs/dbraw/zinc/83/13/55/948831355.db2.gz UIPBKRQRCFBVCL-AWEZNQCLSA-N -1 3 391.455 0.065 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917996 948832941 /nfs/dbraw/zinc/83/29/41/948832941.db2.gz FGNUMHVXIIOIKK-CYBMUJFWSA-N -1 3 384.444 0.959 20 0 GCADHM C[C@H](CNC(=O)CCCn1cccc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917996 948832965 /nfs/dbraw/zinc/83/29/65/948832965.db2.gz FGNUMHVXIIOIKK-CYBMUJFWSA-N -1 3 384.444 0.959 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001574081728 948838833 /nfs/dbraw/zinc/83/88/33/948838833.db2.gz VXZVNDXCUCOZFY-CQSZACIVSA-N -1 3 376.440 0.494 20 0 GCADHM CC(C)[C@@H](F)C(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001574081728 948838849 /nfs/dbraw/zinc/83/88/49/948838849.db2.gz VXZVNDXCUCOZFY-CQSZACIVSA-N -1 3 376.440 0.494 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1cnc[nH]1 ZINC001573761316 948839346 /nfs/dbraw/zinc/83/93/46/948839346.db2.gz GYRPZJCEWINYMA-LLVKDONJSA-N -1 3 382.432 0.618 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1cnc[nH]1 ZINC001573761316 948839363 /nfs/dbraw/zinc/83/93/63/948839363.db2.gz GYRPZJCEWINYMA-LLVKDONJSA-N -1 3 382.432 0.618 20 0 GCADHM CC(F)(F)CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575229256 948843161 /nfs/dbraw/zinc/84/31/61/948843161.db2.gz DYRZDRVTPOWUFV-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)CC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575229256 948843176 /nfs/dbraw/zinc/84/31/76/948843176.db2.gz DYRZDRVTPOWUFV-JTQLQIEISA-N -1 3 383.359 0.197 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574918350 948844099 /nfs/dbraw/zinc/84/40/99/948844099.db2.gz JPVUTVGHHJZATJ-LLVKDONJSA-N -1 3 381.462 0.251 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574918350 948844121 /nfs/dbraw/zinc/84/41/21/948844121.db2.gz JPVUTVGHHJZATJ-LLVKDONJSA-N -1 3 381.462 0.251 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCCO1 ZINC001573761504 948845122 /nfs/dbraw/zinc/84/51/22/948845122.db2.gz JAXJEABOJVSBHI-CQSZACIVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCCO1 ZINC001573761504 948845143 /nfs/dbraw/zinc/84/51/43/948845143.db2.gz JAXJEABOJVSBHI-CQSZACIVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001575229467 948845254 /nfs/dbraw/zinc/84/52/54/948845254.db2.gz JHRWTXQNMYQLJC-OLZOCXBDSA-N -1 3 384.362 0.712 20 0 GCADHM CC(F)(F)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001575229467 948845273 /nfs/dbraw/zinc/84/52/73/948845273.db2.gz JHRWTXQNMYQLJC-OLZOCXBDSA-N -1 3 384.362 0.712 20 0 GCADHM CC(C)(C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnc[nH]1 ZINC001573761723 948847946 /nfs/dbraw/zinc/84/79/46/948847946.db2.gz LPRFYLJOLYVPQN-UHFFFAOYSA-N -1 3 383.416 0.084 20 0 GCADHM CC(C)C1(C(=O)NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574082134 948849842 /nfs/dbraw/zinc/84/98/42/948849842.db2.gz ARMGERILQFLQFG-GFCCVEGCSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)C1(C(=O)NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574082134 948849860 /nfs/dbraw/zinc/84/98/60/948849860.db2.gz ARMGERILQFLQFG-GFCCVEGCSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CC1 ZINC001574082106 948849990 /nfs/dbraw/zinc/84/99/90/948849990.db2.gz AKHKGBXFAHHITC-FZMZJTMJSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CC1 ZINC001574082106 948850003 /nfs/dbraw/zinc/85/00/03/948850003.db2.gz AKHKGBXFAHHITC-FZMZJTMJSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573762369 948854146 /nfs/dbraw/zinc/85/41/46/948854146.db2.gz UXFDNVTUXHVYSK-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573762369 948854166 /nfs/dbraw/zinc/85/41/66/948854166.db2.gz UXFDNVTUXHVYSK-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574918577 948855903 /nfs/dbraw/zinc/85/59/03/948855903.db2.gz NYGIEVWUSIRUBK-CYBMUJFWSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574918577 948855923 /nfs/dbraw/zinc/85/59/23/948855923.db2.gz NYGIEVWUSIRUBK-CYBMUJFWSA-N -1 3 382.428 0.820 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CC1 ZINC001574082253 948856172 /nfs/dbraw/zinc/85/61/72/948856172.db2.gz CNOZZEKBZJCJGV-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CC1 ZINC001574082253 948856188 /nfs/dbraw/zinc/85/61/88/948856188.db2.gz CNOZZEKBZJCJGV-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccnc1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574918854 948865765 /nfs/dbraw/zinc/86/57/65/948865765.db2.gz RUKAABXCFPVWFI-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574684293 948865884 /nfs/dbraw/zinc/86/58/84/948865884.db2.gz DEVCBFZZFVTASC-ZJUUUORDSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574684293 948865903 /nfs/dbraw/zinc/86/59/03/948865903.db2.gz DEVCBFZZFVTASC-ZJUUUORDSA-N -1 3 392.851 0.748 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)N1CCOCC1 ZINC001573763155 948866744 /nfs/dbraw/zinc/86/67/44/948866744.db2.gz CBNVUTLFZFFKLG-CQSZACIVSA-N -1 3 386.460 0.385 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)N1CCOCC1 ZINC001573763155 948866750 /nfs/dbraw/zinc/86/67/50/948866750.db2.gz CBNVUTLFZFFKLG-CQSZACIVSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H](C)NC(N)=O ZINC001574684440 948867037 /nfs/dbraw/zinc/86/70/37/948867037.db2.gz GONFYQXJUFKDCL-YUMQZZPRSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H](C)NC(N)=O ZINC001574684440 948867047 /nfs/dbraw/zinc/86/70/47/948867047.db2.gz GONFYQXJUFKDCL-YUMQZZPRSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574919178 948869317 /nfs/dbraw/zinc/86/93/17/948869317.db2.gz VPPVXJQOUMSLRA-ZDUSSCGKSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574919178 948869335 /nfs/dbraw/zinc/86/93/35/948869335.db2.gz VPPVXJQOUMSLRA-ZDUSSCGKSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)c1nnn(C)n1 ZINC001574684451 948870136 /nfs/dbraw/zinc/87/01/36/948870136.db2.gz GQNIMJGKQXTBQP-SSDOTTSWSA-N -1 3 377.800 0.059 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1nnn(C)n1 ZINC001574684451 948870150 /nfs/dbraw/zinc/87/01/50/948870150.db2.gz GQNIMJGKQXTBQP-SSDOTTSWSA-N -1 3 377.800 0.059 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574919240 948871312 /nfs/dbraw/zinc/87/13/12/948871312.db2.gz XBFXOQLENXZXCC-NSHDSACASA-N -1 3 381.462 0.027 20 0 GCADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574919240 948871330 /nfs/dbraw/zinc/87/13/30/948871330.db2.gz XBFXOQLENXZXCC-NSHDSACASA-N -1 3 381.462 0.027 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001574083031 948871824 /nfs/dbraw/zinc/87/18/24/948871824.db2.gz OFYDIKMJTSYYHO-KRWDZBQOSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001574083031 948871844 /nfs/dbraw/zinc/87/18/44/948871844.db2.gz OFYDIKMJTSYYHO-KRWDZBQOSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001574083014 948872438 /nfs/dbraw/zinc/87/24/38/948872438.db2.gz NTSYBNNENOOQLQ-CQSZACIVSA-N -1 3 398.427 0.129 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001574083014 948872458 /nfs/dbraw/zinc/87/24/58/948872458.db2.gz NTSYBNNENOOQLQ-CQSZACIVSA-N -1 3 398.427 0.129 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574684515 948873191 /nfs/dbraw/zinc/87/31/91/948873191.db2.gz HSAZJAHDKFQCBU-GXSJLCMTSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574684515 948873211 /nfs/dbraw/zinc/87/32/11/948873211.db2.gz HSAZJAHDKFQCBU-GXSJLCMTSA-N -1 3 392.851 0.891 20 0 GCADHM CC(C)c1nnc(CN2CCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001574425528 948874541 /nfs/dbraw/zinc/87/45/41/948874541.db2.gz HYVIYRHEDJNPOQ-LBPRGKRZSA-N -1 3 384.448 0.831 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574919406 948876035 /nfs/dbraw/zinc/87/60/35/948876035.db2.gz YQWYJSSMQDZASO-LBPRGKRZSA-N -1 3 385.432 0.354 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cccn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574919406 948876058 /nfs/dbraw/zinc/87/60/58/948876058.db2.gz YQWYJSSMQDZASO-LBPRGKRZSA-N -1 3 385.432 0.354 20 0 GCADHM CC(C)c1nc(CN2CC([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001574425716 948878230 /nfs/dbraw/zinc/87/82/30/948878230.db2.gz LZVILDUFEVYBDM-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN2CC([C@@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001574425716 948878251 /nfs/dbraw/zinc/87/82/51/948878251.db2.gz LZVILDUFEVYBDM-SNVBAGLBSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H](C)S(C)(=O)=O ZINC001574684726 948884271 /nfs/dbraw/zinc/88/42/71/948884271.db2.gz LSXACGFYEIIFTM-BDAKNGLRSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H](C)S(C)(=O)=O ZINC001574684726 948884290 /nfs/dbraw/zinc/88/42/90/948884290.db2.gz LSXACGFYEIIFTM-BDAKNGLRSA-N -1 3 385.425 0.141 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574684792 948888102 /nfs/dbraw/zinc/88/81/02/948888102.db2.gz MUEDPOLGGUTCGM-GXSJLCMTSA-N -1 3 376.396 0.376 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574684792 948888114 /nfs/dbraw/zinc/88/81/14/948888114.db2.gz MUEDPOLGGUTCGM-GXSJLCMTSA-N -1 3 376.396 0.376 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C1CC1 ZINC001573764354 948889535 /nfs/dbraw/zinc/88/95/35/948889535.db2.gz NRLGONMJRUCIOI-FZMZJTMJSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C1CC1 ZINC001573764354 948889539 /nfs/dbraw/zinc/88/95/39/948889539.db2.gz NRLGONMJRUCIOI-FZMZJTMJSA-N -1 3 387.444 0.323 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575233953 948890232 /nfs/dbraw/zinc/89/02/32/948890232.db2.gz MWJAFHLWIBGERX-MRVPVSSYSA-N -1 3 375.767 0.849 20 0 GCADHM CC(F)(F)CC(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575233953 948890245 /nfs/dbraw/zinc/89/02/45/948890245.db2.gz MWJAFHLWIBGERX-MRVPVSSYSA-N -1 3 375.767 0.849 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1)C1CC1 ZINC001573764356 948891301 /nfs/dbraw/zinc/89/13/01/948891301.db2.gz NRLGONMJRUCIOI-SMDDNHRTSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1)C1CC1 ZINC001573764356 948891324 /nfs/dbraw/zinc/89/13/24/948891324.db2.gz NRLGONMJRUCIOI-SMDDNHRTSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574684885 948892065 /nfs/dbraw/zinc/89/20/65/948892065.db2.gz OKPFGSQLIAPWFH-FVMDXXJSSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574684885 948892077 /nfs/dbraw/zinc/89/20/77/948892077.db2.gz OKPFGSQLIAPWFH-FVMDXXJSSA-N -1 3 392.851 0.891 20 0 GCADHM C[C@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920293 948894082 /nfs/dbraw/zinc/89/40/82/948894082.db2.gz HUBTWPPYSFPVKE-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)CCc1nccs1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920293 948894100 /nfs/dbraw/zinc/89/41/00/948894100.db2.gz HUBTWPPYSFPVKE-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)c1nc(CN2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001574426920 948897119 /nfs/dbraw/zinc/89/71/19/948897119.db2.gz WNNUPBCHFWVETN-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nc(CN2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001574426920 948897138 /nfs/dbraw/zinc/89/71/38/948897138.db2.gz WNNUPBCHFWVETN-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574427414 948902138 /nfs/dbraw/zinc/90/21/38/948902138.db2.gz FRLDKIRVRPNZCN-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@@H](C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574427414 948902145 /nfs/dbraw/zinc/90/21/45/948902145.db2.gz FRLDKIRVRPNZCN-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C1CC1 ZINC001573765207 948902543 /nfs/dbraw/zinc/90/25/43/948902543.db2.gz WKXHYCDKZKGFBI-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C1CC1 ZINC001573765207 948902554 /nfs/dbraw/zinc/90/25/54/948902554.db2.gz WKXHYCDKZKGFBI-OCCSQVGLSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574685453 948910721 /nfs/dbraw/zinc/91/07/21/948910721.db2.gz WQJCTHBQCJPOEY-UWVGGRQHSA-N -1 3 377.380 0.661 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574685453 948910732 /nfs/dbraw/zinc/91/07/32/948910732.db2.gz WQJCTHBQCJPOEY-UWVGGRQHSA-N -1 3 377.380 0.661 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574427750 948912373 /nfs/dbraw/zinc/91/23/73/948912373.db2.gz NEHGTAOQEQYDMT-LBPRGKRZSA-N -1 3 384.448 0.358 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574685647 948913784 /nfs/dbraw/zinc/91/37/84/948913784.db2.gz YLMCRBOJMWCUPQ-MNOVXSKESA-N -1 3 390.423 0.624 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574685647 948913801 /nfs/dbraw/zinc/91/38/01/948913801.db2.gz YLMCRBOJMWCUPQ-MNOVXSKESA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)c1nc(CN[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001574427771 948914636 /nfs/dbraw/zinc/91/46/36/948914636.db2.gz NYWOTZLTVBPILK-KLPPZKSPSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CN[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001574427771 948914648 /nfs/dbraw/zinc/91/46/48/948914648.db2.gz NYWOTZLTVBPILK-KLPPZKSPSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CCCC(N)=O ZINC001574685638 948915303 /nfs/dbraw/zinc/91/53/03/948915303.db2.gz YIDXYSIJISMAAT-SECBINFHSA-N -1 3 380.840 0.877 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CCCC(N)=O ZINC001574685638 948915316 /nfs/dbraw/zinc/91/53/16/948915316.db2.gz YIDXYSIJISMAAT-SECBINFHSA-N -1 3 380.840 0.877 20 0 GCADHM CC(C)(C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573765606 948916213 /nfs/dbraw/zinc/91/62/13/948916213.db2.gz RNJZYESPDQLFDZ-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573765606 948916232 /nfs/dbraw/zinc/91/62/32/948916232.db2.gz RNJZYESPDQLFDZ-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCO1 ZINC001574088292 948918270 /nfs/dbraw/zinc/91/82/70/948918270.db2.gz AJOHFZISTWAGEK-IAQYHMDHSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@H]1C[C@H](C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCO1 ZINC001574088292 948918279 /nfs/dbraw/zinc/91/82/79/948918279.db2.gz AJOHFZISTWAGEK-IAQYHMDHSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)(C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)c1cnc[nH]1 ZINC001573765702 948919913 /nfs/dbraw/zinc/91/99/13/948919913.db2.gz ZGAUVVOMQXXNTO-UHFFFAOYSA-N -1 3 383.416 0.180 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)NCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574088348 948921469 /nfs/dbraw/zinc/92/14/69/948921469.db2.gz BENDWUPOXAMFGW-WFASDCNBSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)NCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574088348 948921477 /nfs/dbraw/zinc/92/14/77/948921477.db2.gz BENDWUPOXAMFGW-WFASDCNBSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)(C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C1CCC1 ZINC001573765766 948922699 /nfs/dbraw/zinc/92/26/99/948922699.db2.gz FCBUTMLFMKIACA-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C1CCC1 ZINC001573765766 948922713 /nfs/dbraw/zinc/92/27/13/948922713.db2.gz FCBUTMLFMKIACA-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574921445 948924836 /nfs/dbraw/zinc/92/48/36/948924836.db2.gz XOKNRRAANXGDGI-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574921445 948924851 /nfs/dbraw/zinc/92/48/51/948924851.db2.gz XOKNRRAANXGDGI-LLVKDONJSA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574685991 948926495 /nfs/dbraw/zinc/92/64/95/948926495.db2.gz CWDILCHKOSQJBC-JQWIXIFHSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574685991 948926506 /nfs/dbraw/zinc/92/65/06/948926506.db2.gz CWDILCHKOSQJBC-JQWIXIFHSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](CNC(=O)CCn1ccnn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574922971 948928664 /nfs/dbraw/zinc/92/86/64/948928664.db2.gz AODGWJYMSAADPK-GFCCVEGCSA-N -1 3 387.423 0.624 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574431864 948929749 /nfs/dbraw/zinc/92/97/49/948929749.db2.gz CYHFQXVRNNPWDA-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1ncncc1C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574431864 948929757 /nfs/dbraw/zinc/92/97/57/948929757.db2.gz CYHFQXVRNNPWDA-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574432305 948931948 /nfs/dbraw/zinc/93/19/48/948931948.db2.gz JJKMJKIQJLUDFR-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574432305 948931956 /nfs/dbraw/zinc/93/19/56/948931956.db2.gz JJKMJKIQJLUDFR-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574923050 948932056 /nfs/dbraw/zinc/93/20/56/948932056.db2.gz BYEXFIPKLHAFCS-SNVBAGLBSA-N -1 3 390.423 0.210 20 0 GCADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574923050 948932075 /nfs/dbraw/zinc/93/20/75/948932075.db2.gz BYEXFIPKLHAFCS-SNVBAGLBSA-N -1 3 390.423 0.210 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574686378 948932403 /nfs/dbraw/zinc/93/24/03/948932403.db2.gz HOJLMTUKMAKZCS-MRVPVSSYSA-N -1 3 375.368 0.460 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574432253 948933362 /nfs/dbraw/zinc/93/33/62/948933362.db2.gz GSWLTAJAGSIARX-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1ncncc1C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574432253 948933374 /nfs/dbraw/zinc/93/33/74/948933374.db2.gz GSWLTAJAGSIARX-SNVBAGLBSA-N -1 3 383.416 0.657 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432577 948934439 /nfs/dbraw/zinc/93/44/39/948934439.db2.gz NJQFUDHLRIJUAC-VXGBXAGGSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432577 948934452 /nfs/dbraw/zinc/93/44/52/948934452.db2.gz NJQFUDHLRIJUAC-VXGBXAGGSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574088907 948939367 /nfs/dbraw/zinc/93/93/67/948939367.db2.gz HEWCQLQFRHMCJA-FZKQIMNGSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574088907 948939379 /nfs/dbraw/zinc/93/93/79/948939379.db2.gz HEWCQLQFRHMCJA-FZKQIMNGSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1CCOCC1 ZINC001574686787 948941117 /nfs/dbraw/zinc/94/11/17/948941117.db2.gz LQNHZTASFBOZEN-LLVKDONJSA-N -1 3 378.412 0.040 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1CCOCC1 ZINC001574686787 948941127 /nfs/dbraw/zinc/94/11/27/948941127.db2.gz LQNHZTASFBOZEN-LLVKDONJSA-N -1 3 378.412 0.040 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1c[nH]cn1 ZINC001573771477 948941906 /nfs/dbraw/zinc/94/19/06/948941906.db2.gz ISNKMNMOISYGHA-LLVKDONJSA-N -1 3 382.432 0.443 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1c[nH]cn1 ZINC001573771477 948941918 /nfs/dbraw/zinc/94/19/18/948941918.db2.gz ISNKMNMOISYGHA-LLVKDONJSA-N -1 3 382.432 0.443 20 0 GCADHM C[C@@H](CNC(=O)CCn1cncn1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574923306 948941860 /nfs/dbraw/zinc/94/18/60/948941860.db2.gz JHOYFRUMOVZEHY-LBPRGKRZSA-N -1 3 387.423 0.624 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001574089049 948943007 /nfs/dbraw/zinc/94/30/07/948943007.db2.gz FVLMCUQZLNXBAR-HUUCEWRRSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001574089049 948943018 /nfs/dbraw/zinc/94/30/18/948943018.db2.gz FVLMCUQZLNXBAR-HUUCEWRRSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)(C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)c1c[nH]cn1 ZINC001573771684 948944017 /nfs/dbraw/zinc/94/40/17/948944017.db2.gz KWLHUODHUUUGMB-NSHDSACASA-N -1 3 382.432 0.664 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574432962 948946242 /nfs/dbraw/zinc/94/62/42/948946242.db2.gz QNQWTSUHJNVBIJ-VXGBXAGGSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H](C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574432962 948946255 /nfs/dbraw/zinc/94/62/55/948946255.db2.gz QNQWTSUHJNVBIJ-VXGBXAGGSA-N -1 3 384.448 0.982 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001574432984 948947162 /nfs/dbraw/zinc/94/71/62/948947162.db2.gz RMPQGWQEEZMZCL-LBPRGKRZSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001574432984 948947167 /nfs/dbraw/zinc/94/71/67/948947167.db2.gz RMPQGWQEEZMZCL-LBPRGKRZSA-N -1 3 382.432 0.372 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001574433361 948953570 /nfs/dbraw/zinc/95/35/70/948953570.db2.gz WFCPQUQMMMGNCR-HAQNSBGRSA-N -1 3 382.432 0.736 20 0 GCADHM CC(C)c1nccn1CC(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001574433361 948953579 /nfs/dbraw/zinc/95/35/79/948953579.db2.gz WFCPQUQMMMGNCR-HAQNSBGRSA-N -1 3 382.432 0.736 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573772253 948954106 /nfs/dbraw/zinc/95/41/06/948954106.db2.gz RWZMHEHQUGXANJ-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573772253 948954114 /nfs/dbraw/zinc/95/41/14/948954114.db2.gz RWZMHEHQUGXANJ-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)CCn1cncn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574923659 948954842 /nfs/dbraw/zinc/95/48/42/948954842.db2.gz QPTBKIYIKUWCTO-SNVBAGLBSA-N -1 3 390.839 0.538 20 0 GCADHM C[C@H](CNC(=O)CCn1cncn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574923659 948954850 /nfs/dbraw/zinc/95/48/50/948954850.db2.gz QPTBKIYIKUWCTO-SNVBAGLBSA-N -1 3 390.839 0.538 20 0 GCADHM C[C@H](CNC(=O)CCn1cnnn1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574923665 948955459 /nfs/dbraw/zinc/95/54/59/948955459.db2.gz QSLZGSIHCJFPLB-LLVKDONJSA-N -1 3 388.411 0.019 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1cnccc1=O ZINC001574688328 948958646 /nfs/dbraw/zinc/95/86/46/948958646.db2.gz UFDNVBIQERLDTA-LBPRGKRZSA-N -1 3 383.416 0.215 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1cnccc1=O ZINC001574688328 948958658 /nfs/dbraw/zinc/95/86/58/948958658.db2.gz UFDNVBIQERLDTA-LBPRGKRZSA-N -1 3 383.416 0.215 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001574433606 948959204 /nfs/dbraw/zinc/95/92/04/948959204.db2.gz YTGVGNCUBLMIMD-GFCCVEGCSA-N -1 3 382.432 0.112 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574089592 948960445 /nfs/dbraw/zinc/96/04/45/948960445.db2.gz FWACUTVUKNFXNU-CHWSQXEVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574089592 948960451 /nfs/dbraw/zinc/96/04/51/948960451.db2.gz FWACUTVUKNFXNU-CHWSQXEVSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574433806 948962534 /nfs/dbraw/zinc/96/25/34/948962534.db2.gz RCOKQEKTMJXBHO-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574433806 948962542 /nfs/dbraw/zinc/96/25/42/948962542.db2.gz RCOKQEKTMJXBHO-UHFFFAOYSA-N -1 3 385.432 0.554 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCCO1 ZINC001573772750 948964199 /nfs/dbraw/zinc/96/41/99/948964199.db2.gz DHVQKQRKTFTKCN-AWEZNQCLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCCO1 ZINC001573772750 948964212 /nfs/dbraw/zinc/96/42/12/948964212.db2.gz DHVQKQRKTFTKCN-AWEZNQCLSA-N -1 3 387.444 0.731 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001575239830 948965226 /nfs/dbraw/zinc/96/52/26/948965226.db2.gz VSJMIKRRBLYTIB-RYUDHWBXSA-N -1 3 381.387 0.753 20 0 GCADHM CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001575239830 948965230 /nfs/dbraw/zinc/96/52/30/948965230.db2.gz VSJMIKRRBLYTIB-RYUDHWBXSA-N -1 3 381.387 0.753 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574089771 948966011 /nfs/dbraw/zinc/96/60/11/948966011.db2.gz KNKRLCXREBHHSS-UGSOOPFHSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574089771 948966023 /nfs/dbraw/zinc/96/60/23/948966023.db2.gz KNKRLCXREBHHSS-UGSOOPFHSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574089907 948969307 /nfs/dbraw/zinc/96/93/07/948969307.db2.gz JIVBGXGOIVXINR-HZPDHXFCSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574089907 948969319 /nfs/dbraw/zinc/96/93/19/948969319.db2.gz JIVBGXGOIVXINR-HZPDHXFCSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574433918 948970030 /nfs/dbraw/zinc/97/00/30/948970030.db2.gz VWYHRVKDEHJZHU-LBPRGKRZSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574433918 948970048 /nfs/dbraw/zinc/97/00/48/948970048.db2.gz VWYHRVKDEHJZHU-LBPRGKRZSA-N -1 3 385.432 0.321 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574924290 948971587 /nfs/dbraw/zinc/97/15/87/948971587.db2.gz YZTRGCSZSDQMHP-CYBMUJFWSA-N -1 3 382.428 0.678 20 0 GCADHM C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574924290 948971599 /nfs/dbraw/zinc/97/15/99/948971599.db2.gz YZTRGCSZSDQMHP-CYBMUJFWSA-N -1 3 382.428 0.678 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001574433993 948972867 /nfs/dbraw/zinc/97/28/67/948972867.db2.gz BRYSOHFMNVDBIZ-LLVKDONJSA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001574433993 948972874 /nfs/dbraw/zinc/97/28/74/948972874.db2.gz BRYSOHFMNVDBIZ-LLVKDONJSA-N -1 3 385.436 0.331 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCOCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574089975 948973912 /nfs/dbraw/zinc/97/39/12/948973912.db2.gz JRNLIOQIYVLACF-ZIAGYGMSSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCOCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574089975 948973923 /nfs/dbraw/zinc/97/39/23/948973923.db2.gz JRNLIOQIYVLACF-ZIAGYGMSSA-N -1 3 389.460 0.692 20 0 GCADHM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cn1)[C@H]2C ZINC001574434275 948977382 /nfs/dbraw/zinc/97/73/82/948977382.db2.gz GHDRLLXUKUBOKK-JTQLQIEISA-N -1 3 389.445 0.742 20 0 GCADHM CC(C)c1nnc2n1CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cn1)[C@H]2C ZINC001574434275 948977391 /nfs/dbraw/zinc/97/73/91/948977391.db2.gz GHDRLLXUKUBOKK-JTQLQIEISA-N -1 3 389.445 0.742 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574434271 948977592 /nfs/dbraw/zinc/97/75/92/948977592.db2.gz GEZTXLHQZKNOJP-GFCCVEGCSA-N -1 3 383.420 0.085 20 0 GCADHM CC(C)c1nnnn1CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574434271 948977604 /nfs/dbraw/zinc/97/76/04/948977604.db2.gz GEZTXLHQZKNOJP-GFCCVEGCSA-N -1 3 383.420 0.085 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574925832 948978830 /nfs/dbraw/zinc/97/88/30/948978830.db2.gz FAIPXIFABGXZIM-JTQLQIEISA-N -1 3 392.851 0.478 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574925832 948978843 /nfs/dbraw/zinc/97/88/43/948978843.db2.gz FAIPXIFABGXZIM-JTQLQIEISA-N -1 3 392.851 0.478 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574926015 948978882 /nfs/dbraw/zinc/97/88/82/948978882.db2.gz GHHQZCIBBCRPNY-ZDUSSCGKSA-N -1 3 386.460 0.829 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574926015 948978892 /nfs/dbraw/zinc/97/88/92/948978892.db2.gz GHHQZCIBBCRPNY-ZDUSSCGKSA-N -1 3 386.460 0.829 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574090208 948980035 /nfs/dbraw/zinc/98/00/35/948980035.db2.gz LZQONMIDJAFCEH-ACJLOTCBSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@]1(C)C[C@@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574090208 948980045 /nfs/dbraw/zinc/98/00/45/948980045.db2.gz LZQONMIDJAFCEH-ACJLOTCBSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@H](F)CCN1CC(n2cc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)nn2)C1 ZINC001575242781 948987179 /nfs/dbraw/zinc/98/71/79/948987179.db2.gz KZGDSSRHCHMBLK-JTQLQIEISA-N -1 3 388.411 0.321 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C1CC1 ZINC001573773618 948988705 /nfs/dbraw/zinc/98/87/05/948988705.db2.gz NRBHWXRTPQIDHW-KBPBESRZSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C1CC1 ZINC001573773618 948988716 /nfs/dbraw/zinc/98/87/16/948988716.db2.gz NRBHWXRTPQIDHW-KBPBESRZSA-N -1 3 389.435 0.893 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573773681 948990084 /nfs/dbraw/zinc/99/00/84/948990084.db2.gz DFYGGIOETBYZOT-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573773681 948990098 /nfs/dbraw/zinc/99/00/98/948990098.db2.gz DFYGGIOETBYZOT-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)c1nnc(CN[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2C)o1 ZINC001574435044 948991293 /nfs/dbraw/zinc/99/12/93/948991293.db2.gz QOLBDKQKHNUDRB-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2C)o1 ZINC001574435044 948991305 /nfs/dbraw/zinc/99/13/05/948991305.db2.gz QOLBDKQKHNUDRB-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574435365 948993687 /nfs/dbraw/zinc/99/36/87/948993687.db2.gz ULNNFIXEZIUNNR-GHMZBOCLSA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574435365 948993702 /nfs/dbraw/zinc/99/37/02/948993702.db2.gz ULNNFIXEZIUNNR-GHMZBOCLSA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574435367 948993782 /nfs/dbraw/zinc/99/37/82/948993782.db2.gz ULNNFIXEZIUNNR-MNOVXSKESA-N -1 3 385.436 0.377 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574435367 948993796 /nfs/dbraw/zinc/99/37/96/948993796.db2.gz ULNNFIXEZIUNNR-MNOVXSKESA-N -1 3 385.436 0.377 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCC1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574926264 948995068 /nfs/dbraw/zinc/99/50/68/948995068.db2.gz MEVULMHOVCQZMN-GFCCVEGCSA-N -1 3 389.435 0.959 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCC1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574926264 948995077 /nfs/dbraw/zinc/99/50/77/948995077.db2.gz MEVULMHOVCQZMN-GFCCVEGCSA-N -1 3 389.435 0.959 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCC1=O)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574926351 948998171 /nfs/dbraw/zinc/99/81/71/948998171.db2.gz ODWGONHCHYVHTM-LBPRGKRZSA-N -1 3 389.435 0.565 20 0 GCADHM CC(C)c1nnc(CN2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001574435749 948998688 /nfs/dbraw/zinc/99/86/88/948998688.db2.gz ZFFHHBLRLSCQIF-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001574435749 948998702 /nfs/dbraw/zinc/99/87/02/948998702.db2.gz ZFFHHBLRLSCQIF-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574439170 949000509 /nfs/dbraw/zinc/00/05/09/949000509.db2.gz BEWPCDZXJRWLEX-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574439170 949000523 /nfs/dbraw/zinc/00/05/23/949000523.db2.gz BEWPCDZXJRWLEX-ZWNOBZJWSA-N -1 3 385.432 0.952 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574926438 949003101 /nfs/dbraw/zinc/00/31/01/949003101.db2.gz QHRUHGOOTIABCX-JTQLQIEISA-N -1 3 376.396 0.330 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574926438 949003118 /nfs/dbraw/zinc/00/31/18/949003118.db2.gz QHRUHGOOTIABCX-JTQLQIEISA-N -1 3 376.396 0.330 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001575244016 949007072 /nfs/dbraw/zinc/00/70/72/949007072.db2.gz UYLCZZDYZKIBIU-WOFXILAISA-N -1 3 379.371 0.817 20 0 GCADHM CC(F)(F)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001575244016 949007090 /nfs/dbraw/zinc/00/70/90/949007090.db2.gz UYLCZZDYZKIBIU-WOFXILAISA-N -1 3 379.371 0.817 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1)C1CCOCC1 ZINC001573774318 949007265 /nfs/dbraw/zinc/00/72/65/949007265.db2.gz MMFPXFYZKLGJQR-ZDUSSCGKSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1)C1CCOCC1 ZINC001573774318 949007279 /nfs/dbraw/zinc/00/72/79/949007279.db2.gz MMFPXFYZKLGJQR-ZDUSSCGKSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001574439805 949011319 /nfs/dbraw/zinc/01/13/19/949011319.db2.gz IZACTCYDZSBPLI-SECBINFHSA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001574439805 949011338 /nfs/dbraw/zinc/01/13/38/949011338.db2.gz IZACTCYDZSBPLI-SECBINFHSA-N -1 3 389.445 0.439 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cnc2n1CCOC2 ZINC001574691046 949014075 /nfs/dbraw/zinc/01/40/75/949014075.db2.gz SKVORTLRTQHDMK-LLVKDONJSA-N -1 3 383.416 0.609 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cnc2n1CCOC2 ZINC001574691046 949014095 /nfs/dbraw/zinc/01/40/95/949014095.db2.gz SKVORTLRTQHDMK-LLVKDONJSA-N -1 3 383.416 0.609 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1 ZINC001574439563 949013779 /nfs/dbraw/zinc/01/37/79/949013779.db2.gz HNMPJQGDZDANOV-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1 ZINC001574439563 949013799 /nfs/dbraw/zinc/01/37/99/949013799.db2.gz HNMPJQGDZDANOV-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926632 949014183 /nfs/dbraw/zinc/01/41/83/949014183.db2.gz BGPXNEWMLYGNEB-NSHDSACASA-N -1 3 390.423 0.728 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926632 949014199 /nfs/dbraw/zinc/01/41/99/949014199.db2.gz BGPXNEWMLYGNEB-NSHDSACASA-N -1 3 390.423 0.728 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574926710 949016301 /nfs/dbraw/zinc/01/63/01/949016301.db2.gz VPZVQRSYSLBMCJ-GFCCVEGCSA-N -1 3 389.435 0.565 20 0 GCADHM C[C@H](CNC(=O)CN1CCCC1=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574926710 949016315 /nfs/dbraw/zinc/01/63/15/949016315.db2.gz VPZVQRSYSLBMCJ-GFCCVEGCSA-N -1 3 389.435 0.565 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001574691252 949018900 /nfs/dbraw/zinc/01/89/00/949018900.db2.gz VMCVVRDUOBCVJW-NSHDSACASA-N -1 3 385.436 0.379 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001574691252 949018919 /nfs/dbraw/zinc/01/89/19/949018919.db2.gz VMCVVRDUOBCVJW-NSHDSACASA-N -1 3 385.436 0.379 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574440116 949022389 /nfs/dbraw/zinc/02/23/89/949022389.db2.gz NTEHPQHTMGAPGI-KOLCDFICSA-N -1 3 389.420 0.143 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574926758 949022390 /nfs/dbraw/zinc/02/23/90/949022390.db2.gz WYZHBZYILROPAC-CYBMUJFWSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574926758 949022412 /nfs/dbraw/zinc/02/24/12/949022412.db2.gz WYZHBZYILROPAC-CYBMUJFWSA-N -1 3 386.460 0.971 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440116 949022411 /nfs/dbraw/zinc/02/24/11/949022411.db2.gz NTEHPQHTMGAPGI-KOLCDFICSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc(CNC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574440131 949023535 /nfs/dbraw/zinc/02/35/35/949023535.db2.gz OBNQPEAEZZPAPX-UHFFFAOYSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574926836 949025647 /nfs/dbraw/zinc/02/56/47/949025647.db2.gz YMPYVYHTRGIXCT-CYBMUJFWSA-N -1 3 386.460 0.829 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574926836 949025665 /nfs/dbraw/zinc/02/56/65/949025665.db2.gz YMPYVYHTRGIXCT-CYBMUJFWSA-N -1 3 386.460 0.829 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574926880 949028621 /nfs/dbraw/zinc/02/86/21/949028621.db2.gz CLQKDYKHQIVVGF-NSHDSACASA-N -1 3 381.400 0.003 20 0 GCADHM C[C@@H](CNC(=O)CNC(=O)c1ccccn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574926880 949028638 /nfs/dbraw/zinc/02/86/38/949028638.db2.gz CLQKDYKHQIVVGF-NSHDSACASA-N -1 3 381.400 0.003 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1)[C@H]1CCCCO1 ZINC001573775042 949028981 /nfs/dbraw/zinc/02/89/81/949028981.db2.gz SJABTXUYXHAYFV-TZMCWYRMSA-N -1 3 389.460 0.746 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1)[C@H]1CCCCO1 ZINC001573775042 949029003 /nfs/dbraw/zinc/02/90/03/949029003.db2.gz SJABTXUYXHAYFV-TZMCWYRMSA-N -1 3 389.460 0.746 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575246496 949032620 /nfs/dbraw/zinc/03/26/20/949032620.db2.gz GRWQCOUVITVERD-LBPRGKRZSA-N -1 3 385.472 0.718 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575246496 949032628 /nfs/dbraw/zinc/03/26/28/949032628.db2.gz GRWQCOUVITVERD-LBPRGKRZSA-N -1 3 385.472 0.718 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001575246012 949034266 /nfs/dbraw/zinc/03/42/66/949034266.db2.gz FZTGNNZJBMVVOP-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001575246012 949034247 /nfs/dbraw/zinc/03/42/47/949034247.db2.gz FZTGNNZJBMVVOP-LBPRGKRZSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574927139 949035684 /nfs/dbraw/zinc/03/56/84/949035684.db2.gz FVEUFOSSFLUJTR-SECBINFHSA-N -1 3 378.412 0.480 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574927139 949035702 /nfs/dbraw/zinc/03/57/02/949035702.db2.gz FVEUFOSSFLUJTR-SECBINFHSA-N -1 3 378.412 0.480 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575246510 949036404 /nfs/dbraw/zinc/03/64/04/949036404.db2.gz GSLXSXHEKLRXBM-VXGBXAGGSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575246510 949036423 /nfs/dbraw/zinc/03/64/23/949036423.db2.gz GSLXSXHEKLRXBM-VXGBXAGGSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574927413 949039418 /nfs/dbraw/zinc/03/94/18/949039418.db2.gz IIPFVLSAGVQALH-SNVBAGLBSA-N -1 3 392.439 0.504 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574927413 949039442 /nfs/dbraw/zinc/03/94/42/949039442.db2.gz IIPFVLSAGVQALH-SNVBAGLBSA-N -1 3 392.439 0.504 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574091920 949041086 /nfs/dbraw/zinc/04/10/86/949041086.db2.gz PWPDQBCAFLTFSE-CHWSQXEVSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@H]1C[C@H]1C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574091920 949041115 /nfs/dbraw/zinc/04/11/15/949041115.db2.gz PWPDQBCAFLTFSE-CHWSQXEVSA-N -1 3 375.433 0.038 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)c1cnc[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574692904 949041131 /nfs/dbraw/zinc/04/11/31/949041131.db2.gz CMCLQXKVHWMSLJ-SNVBAGLBSA-N -1 3 385.432 0.472 20 0 GCADHM CC(C)(C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)c1c[nH]cn1 ZINC001573775442 949041804 /nfs/dbraw/zinc/04/18/04/949041804.db2.gz WPUBEPQMYAIBNG-NSHDSACASA-N -1 3 382.432 0.664 20 0 GCADHM C[C@H](CN(C)C(=O)C(=O)NCC(F)F)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574692917 949042763 /nfs/dbraw/zinc/04/27/63/949042763.db2.gz DFIFGDFNYWJEOG-MRVPVSSYSA-N -1 3 385.350 0.646 20 0 GCADHM C[C@H](CN(C)C(=O)C(=O)NCC(F)F)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574692917 949042778 /nfs/dbraw/zinc/04/27/78/949042778.db2.gz DFIFGDFNYWJEOG-MRVPVSSYSA-N -1 3 385.350 0.646 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440890 949042874 /nfs/dbraw/zinc/04/28/74/949042874.db2.gz YGIFXFWVTDUMPX-ONGXEEELSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@H](C)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440890 949042893 /nfs/dbraw/zinc/04/28/93/949042893.db2.gz YGIFXFWVTDUMPX-ONGXEEELSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440889 949044733 /nfs/dbraw/zinc/04/47/33/949044733.db2.gz YGIFXFWVTDUMPX-MWLCHTKSSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1noc([C@@H](C)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440889 949044750 /nfs/dbraw/zinc/04/47/50/949044750.db2.gz YGIFXFWVTDUMPX-MWLCHTKSSA-N -1 3 389.420 0.143 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574440905 949045036 /nfs/dbraw/zinc/04/50/36/949045036.db2.gz YMBQRAKSNANKLE-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574440905 949045058 /nfs/dbraw/zinc/04/50/58/949045058.db2.gz YMBQRAKSNANKLE-QMMMGPOBSA-N -1 3 389.445 0.718 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575503358 949044999 /nfs/dbraw/zinc/04/49/99/949044999.db2.gz PCDZULATGAKTTC-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575503358 949045019 /nfs/dbraw/zinc/04/50/19/949045019.db2.gz PCDZULATGAKTTC-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)C1CCOCC1 ZINC001573775541 949046986 /nfs/dbraw/zinc/04/69/86/949046986.db2.gz YSSKPUXCXVJFKM-CQSZACIVSA-N -1 3 389.460 0.604 20 0 GCADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)C1CCOCC1 ZINC001573775541 949047004 /nfs/dbraw/zinc/04/70/04/949047004.db2.gz YSSKPUXCXVJFKM-CQSZACIVSA-N -1 3 389.460 0.604 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575247620 949049315 /nfs/dbraw/zinc/04/93/15/949049315.db2.gz KMCJUFVHTGDPHN-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575247620 949049295 /nfs/dbraw/zinc/04/92/95/949049295.db2.gz KMCJUFVHTGDPHN-AAEUAGOBSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573779233 949054578 /nfs/dbraw/zinc/05/45/78/949054578.db2.gz DRVCFYNOUUZDBX-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573779233 949054595 /nfs/dbraw/zinc/05/45/95/949054595.db2.gz DRVCFYNOUUZDBX-SFHVURJKSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574693432 949055657 /nfs/dbraw/zinc/05/56/57/949055657.db2.gz HNXUFSZFNIWGIU-MRVPVSSYSA-N -1 3 377.423 0.107 20 0 GCADHM C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574693432 949055675 /nfs/dbraw/zinc/05/56/75/949055675.db2.gz HNXUFSZFNIWGIU-MRVPVSSYSA-N -1 3 377.423 0.107 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001574693435 949057330 /nfs/dbraw/zinc/05/73/30/949057330.db2.gz HNXUFSZFNIWGIU-QMMMGPOBSA-N -1 3 377.423 0.107 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001574693435 949057348 /nfs/dbraw/zinc/05/73/48/949057348.db2.gz HNXUFSZFNIWGIU-QMMMGPOBSA-N -1 3 377.423 0.107 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574441468 949059575 /nfs/dbraw/zinc/05/95/75/949059575.db2.gz LPQLHHLMLBWZGS-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574441468 949059592 /nfs/dbraw/zinc/05/95/92/949059592.db2.gz LPQLHHLMLBWZGS-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nsc(NC[C@@H](O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574441602 949061661 /nfs/dbraw/zinc/06/16/61/949061661.db2.gz OXFDQOZDTVCZFY-SECBINFHSA-N -1 3 391.461 0.715 20 0 GCADHM CC(C)c1nsc(NC[C@@H](O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574441602 949061680 /nfs/dbraw/zinc/06/16/80/949061680.db2.gz OXFDQOZDTVCZFY-SECBINFHSA-N -1 3 391.461 0.715 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574928846 949061549 /nfs/dbraw/zinc/06/15/49/949061549.db2.gz RIUHLCRLPUVRNK-GFCCVEGCSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574928846 949061530 /nfs/dbraw/zinc/06/15/30/949061530.db2.gz RIUHLCRLPUVRNK-GFCCVEGCSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575248151 949062143 /nfs/dbraw/zinc/06/21/43/949062143.db2.gz OKTJGOHUZIBRDW-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575248151 949062166 /nfs/dbraw/zinc/06/21/66/949062166.db2.gz OKTJGOHUZIBRDW-VXGBXAGGSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)c1nsc(NC[C@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574441655 949069006 /nfs/dbraw/zinc/06/90/06/949069006.db2.gz RFFZUXUDQXGLLN-JTQLQIEISA-N -1 3 391.461 0.715 20 0 GCADHM CC(C)c1nsc(NC[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574441655 949069025 /nfs/dbraw/zinc/06/90/25/949069025.db2.gz RFFZUXUDQXGLLN-JTQLQIEISA-N -1 3 391.461 0.715 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575248457 949075862 /nfs/dbraw/zinc/07/58/62/949075862.db2.gz SMPDMOVEALUCTD-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575248457 949075876 /nfs/dbraw/zinc/07/58/76/949075876.db2.gz SMPDMOVEALUCTD-YPMHNXCESA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001575248774 949077820 /nfs/dbraw/zinc/07/78/20/949077820.db2.gz VMIGHYPWGBRBLA-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001575248774 949077800 /nfs/dbraw/zinc/07/78/00/949077800.db2.gz VMIGHYPWGBRBLA-GFCCVEGCSA-N -1 3 386.460 0.461 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574092958 949089731 /nfs/dbraw/zinc/08/97/31/949089731.db2.gz QNBAWNCMPIAGFK-QWHCGFSZSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574092958 949089750 /nfs/dbraw/zinc/08/97/50/949089750.db2.gz QNBAWNCMPIAGFK-QWHCGFSZSA-N -1 3 375.433 0.038 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574929331 949093124 /nfs/dbraw/zinc/09/31/24/949093124.db2.gz CZIUAYRNKLCARF-CHWSQXEVSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574929331 949093106 /nfs/dbraw/zinc/09/31/06/949093106.db2.gz CZIUAYRNKLCARF-CHWSQXEVSA-N -1 3 375.433 0.398 20 0 GCADHM CC(C)c1nocc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574442394 949095191 /nfs/dbraw/zinc/09/51/91/949095191.db2.gz NMTKPDIKYXLTLS-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM CC(C)c1nocc1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574442394 949095207 /nfs/dbraw/zinc/09/52/07/949095207.db2.gz NMTKPDIKYXLTLS-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001575504910 949095040 /nfs/dbraw/zinc/09/50/40/949095040.db2.gz YSXIWAIEDSVTII-RDBSUJKOSA-N -1 3 392.423 0.914 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001575504910 949095059 /nfs/dbraw/zinc/09/50/59/949095059.db2.gz YSXIWAIEDSVTII-RDBSUJKOSA-N -1 3 392.423 0.914 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001575504937 949096369 /nfs/dbraw/zinc/09/63/69/949096369.db2.gz ZMUGUVYFZQKHAH-DANNLKNASA-N -1 3 392.423 0.675 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001575504937 949096389 /nfs/dbraw/zinc/09/63/89/949096389.db2.gz ZMUGUVYFZQKHAH-DANNLKNASA-N -1 3 392.423 0.675 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574929500 949097983 /nfs/dbraw/zinc/09/79/83/949097983.db2.gz FMGNFXCZOCZHCT-LBPRGKRZSA-N -1 3 389.460 0.884 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929500 949098002 /nfs/dbraw/zinc/09/80/02/949098002.db2.gz FMGNFXCZOCZHCT-LBPRGKRZSA-N -1 3 389.460 0.884 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574929739 949100073 /nfs/dbraw/zinc/10/00/73/949100073.db2.gz HGXRGXUFQPQQOJ-LBPRGKRZSA-N -1 3 389.460 0.884 20 0 GCADHM C[C@@H](CNC(=O)COCC1CCCC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574929739 949100086 /nfs/dbraw/zinc/10/00/86/949100086.db2.gz HGXRGXUFQPQQOJ-LBPRGKRZSA-N -1 3 389.460 0.884 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573781029 949100841 /nfs/dbraw/zinc/10/08/41/949100841.db2.gz AMEYBMZJJCAFRA-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573781029 949100851 /nfs/dbraw/zinc/10/08/51/949100851.db2.gz AMEYBMZJJCAFRA-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575249549 949101555 /nfs/dbraw/zinc/10/15/55/949101555.db2.gz YZOXJEQDBMYOJA-WCQYABFASA-N -1 3 386.460 0.507 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575249549 949101566 /nfs/dbraw/zinc/10/15/66/949101566.db2.gz YZOXJEQDBMYOJA-WCQYABFASA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575249552 949103139 /nfs/dbraw/zinc/10/31/39/949103139.db2.gz YZOXJEQDBMYOJA-YPMHNXCESA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575249552 949103164 /nfs/dbraw/zinc/10/31/64/949103164.db2.gz YZOXJEQDBMYOJA-YPMHNXCESA-N -1 3 386.460 0.507 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574929856 949103295 /nfs/dbraw/zinc/10/32/95/949103295.db2.gz INRPYYCEOQNHFW-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574929856 949103308 /nfs/dbraw/zinc/10/33/08/949103308.db2.gz INRPYYCEOQNHFW-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575250049 949105710 /nfs/dbraw/zinc/10/57/10/949105710.db2.gz CRFKAVFDMGNMMO-GWCFXTLKSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575250049 949105698 /nfs/dbraw/zinc/10/56/98/949105698.db2.gz CRFKAVFDMGNMMO-GWCFXTLKSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CNC(=O)COC1CCCC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574930625 949106014 /nfs/dbraw/zinc/10/60/14/949106014.db2.gz KTZKXDDDCLNACN-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)COC1CCCC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574930625 949106027 /nfs/dbraw/zinc/10/60/27/949106027.db2.gz KTZKXDDDCLNACN-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1c[nH]cn1 ZINC001573781602 949106595 /nfs/dbraw/zinc/10/65/95/949106595.db2.gz KADQDWGBJBSHSX-UHFFFAOYSA-N -1 3 383.416 0.084 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574443459 949107564 /nfs/dbraw/zinc/10/75/64/949107564.db2.gz YQFHRABDSNTZGG-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574443459 949107577 /nfs/dbraw/zinc/10/75/77/949107577.db2.gz YQFHRABDSNTZGG-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574443480 949108906 /nfs/dbraw/zinc/10/89/06/949108906.db2.gz YXZSWMOVLOTXIU-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574931058 949108728 /nfs/dbraw/zinc/10/87/28/949108728.db2.gz MYPBUFBEPFQKES-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574931058 949108717 /nfs/dbraw/zinc/10/87/17/949108717.db2.gz MYPBUFBEPFQKES-ZDUSSCGKSA-N -1 3 382.428 0.814 20 0 GCADHM CC(C)c1nocc1C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574443480 949108932 /nfs/dbraw/zinc/10/89/32/949108932.db2.gz YXZSWMOVLOTXIU-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM C[C@@H](CNC(=O)COC1CCCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574931160 949115433 /nfs/dbraw/zinc/11/54/33/949115433.db2.gz NXICKUMBWWLNFT-NSHDSACASA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CNC(=O)COC1CCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574931160 949115447 /nfs/dbraw/zinc/11/54/47/949115447.db2.gz NXICKUMBWWLNFT-NSHDSACASA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ncccc1-c1nnn[n-]1 ZINC001574931161 949115581 /nfs/dbraw/zinc/11/55/81/949115581.db2.gz NYCXOTKRPVRORI-LLVKDONJSA-N -1 3 384.400 0.496 20 0 GCADHM C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)Nc1ncccc1-c1nn[n-]n1 ZINC001574931161 949115594 /nfs/dbraw/zinc/11/55/94/949115594.db2.gz NYCXOTKRPVRORI-LLVKDONJSA-N -1 3 384.400 0.496 20 0 GCADHM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)c1c[nH]cn1 ZINC001573782060 949117557 /nfs/dbraw/zinc/11/75/57/949117557.db2.gz PLRWBWUSCFCNGK-PHIMTYICSA-N -1 3 382.432 0.664 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575250995 949121798 /nfs/dbraw/zinc/12/17/98/949121798.db2.gz JVGGNLSZBMELAP-CHWSQXEVSA-N -1 3 388.476 0.678 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575250995 949121818 /nfs/dbraw/zinc/12/18/18/949121818.db2.gz JVGGNLSZBMELAP-CHWSQXEVSA-N -1 3 388.476 0.678 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574094007 949126067 /nfs/dbraw/zinc/12/60/67/949126067.db2.gz UVMQQERYMWRJHF-RYUDHWBXSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574094007 949126081 /nfs/dbraw/zinc/12/60/81/949126081.db2.gz UVMQQERYMWRJHF-RYUDHWBXSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)c1c[nH]cn1 ZINC001573782674 949126783 /nfs/dbraw/zinc/12/67/83/949126783.db2.gz GWSVYJUDESTUTD-PHIMTYICSA-N -1 3 382.432 0.664 20 0 GCADHM C[C@H](CNC(=O)COC1CCCC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574932109 949129210 /nfs/dbraw/zinc/12/92/10/949129210.db2.gz VEJWVZAXVJOHRH-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)COC1CCCC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574932109 949129191 /nfs/dbraw/zinc/12/91/91/949129191.db2.gz VEJWVZAXVJOHRH-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCO1 ZINC001574094344 949136467 /nfs/dbraw/zinc/13/64/67/949136467.db2.gz VMXVTOOUWPJHLH-ABAIWWIYSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@H](C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCO1 ZINC001574094344 949136475 /nfs/dbraw/zinc/13/64/75/949136475.db2.gz VMXVTOOUWPJHLH-ABAIWWIYSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574932416 949136785 /nfs/dbraw/zinc/13/67/85/949136785.db2.gz ZWMVHQPKMFMNLN-NEPJUHHUSA-N -1 3 378.408 0.752 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574932416 949136762 /nfs/dbraw/zinc/13/67/62/949136762.db2.gz ZWMVHQPKMFMNLN-NEPJUHHUSA-N -1 3 378.408 0.752 20 0 GCADHM C[C@@H](c1cccc(F)c1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575512493 949138420 /nfs/dbraw/zinc/13/84/20/949138420.db2.gz NNOLZIFIZQKIIJ-AMKSKSKJSA-N -1 3 385.403 0.870 20 0 GCADHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cn(C(F)(F)CO)nn1 ZINC001575512246 949139177 /nfs/dbraw/zinc/13/91/77/949139177.db2.gz NDTGRNRYDSSUOH-VIFPVBQESA-N -1 3 378.343 0.833 20 0 GCADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cn(C(F)(F)CO)nn1 ZINC001575512246 949139186 /nfs/dbraw/zinc/13/91/86/949139186.db2.gz NDTGRNRYDSSUOH-VIFPVBQESA-N -1 3 378.343 0.833 20 0 GCADHM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)c1cc(CN(C)C)on1 ZINC001574696867 949143809 /nfs/dbraw/zinc/14/38/09/949143809.db2.gz WIEALEGBVYYTRK-SNVBAGLBSA-N -1 3 386.420 0.327 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574446913 949146890 /nfs/dbraw/zinc/14/68/90/949146890.db2.gz AROLKDOMPKPOOO-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574446913 949146897 /nfs/dbraw/zinc/14/68/97/949146897.db2.gz AROLKDOMPKPOOO-XYPYZODXSA-N -1 3 384.400 0.997 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574933977 949147352 /nfs/dbraw/zinc/14/73/52/949147352.db2.gz AGEMXGCHIFGBTR-SNVBAGLBSA-N -1 3 389.441 0.817 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574933977 949147370 /nfs/dbraw/zinc/14/73/70/949147370.db2.gz AGEMXGCHIFGBTR-SNVBAGLBSA-N -1 3 389.441 0.817 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575251852 949150075 /nfs/dbraw/zinc/15/00/75/949150075.db2.gz OPRJVLOEMJMQJR-VXGBXAGGSA-N -1 3 392.485 0.236 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)C1CCC1 ZINC001573786913 949155944 /nfs/dbraw/zinc/15/59/44/949155944.db2.gz FEXMZJRDBGSDOR-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)C1CCC1 ZINC001573786913 949155951 /nfs/dbraw/zinc/15/59/51/949155951.db2.gz FEXMZJRDBGSDOR-ZIAGYGMSSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574447368 949157770 /nfs/dbraw/zinc/15/77/70/949157770.db2.gz NTBKZRRTUQPMIT-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574447368 949157775 /nfs/dbraw/zinc/15/77/75/949157775.db2.gz NTBKZRRTUQPMIT-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574447367 949157835 /nfs/dbraw/zinc/15/78/35/949157835.db2.gz NTBKZRRTUQPMIT-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574447367 949157842 /nfs/dbraw/zinc/15/78/42/949157842.db2.gz NTBKZRRTUQPMIT-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574697769 949158203 /nfs/dbraw/zinc/15/82/03/949158203.db2.gz BQVPUKBWFLLPKD-GHMZBOCLSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)CS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574697769 949158215 /nfs/dbraw/zinc/15/82/15/949158215.db2.gz BQVPUKBWFLLPKD-GHMZBOCLSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](NC(=O)C1(C)CCC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252314 949158723 /nfs/dbraw/zinc/15/87/23/949158723.db2.gz FEQVKNSDMSCYTD-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C1(C)CCC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252314 949158710 /nfs/dbraw/zinc/15/87/10/949158710.db2.gz FEQVKNSDMSCYTD-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575514064 949159903 /nfs/dbraw/zinc/15/99/03/949159903.db2.gz VBNSPQANFFTETK-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM C[C@H](c1cccc(F)c1)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575514064 949159918 /nfs/dbraw/zinc/15/99/18/949159918.db2.gz VBNSPQANFFTETK-LLVKDONJSA-N -1 3 385.403 0.872 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574934456 949162710 /nfs/dbraw/zinc/16/27/10/949162710.db2.gz IMSYBWGBRGZVDH-JTQLQIEISA-N -1 3 384.437 0.746 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574934456 949162721 /nfs/dbraw/zinc/16/27/21/949162721.db2.gz IMSYBWGBRGZVDH-JTQLQIEISA-N -1 3 384.437 0.746 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252416 949163725 /nfs/dbraw/zinc/16/37/25/949163725.db2.gz GDBPUDVZJVXSLT-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H](NC(=O)C1(CF)CC1)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252416 949163740 /nfs/dbraw/zinc/16/37/40/949163740.db2.gz GDBPUDVZJVXSLT-ZWNOBZJWSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001574697940 949167164 /nfs/dbraw/zinc/16/71/64/949167164.db2.gz DHKZRYSVZOFOSK-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001574697940 949167179 /nfs/dbraw/zinc/16/71/79/949167179.db2.gz DHKZRYSVZOFOSK-NWDGAFQWSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934656 949171555 /nfs/dbraw/zinc/17/15/55/949171555.db2.gz NFUPSHWSSQNWBH-LLVKDONJSA-N -1 3 384.400 0.151 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1c[nH]cn1 ZINC001573787239 949171483 /nfs/dbraw/zinc/17/14/83/949171483.db2.gz RIVSBVMPUJJTTH-AOOOYVTPSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934656 949171564 /nfs/dbraw/zinc/17/15/64/949171564.db2.gz NFUPSHWSSQNWBH-LLVKDONJSA-N -1 3 384.400 0.151 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574447967 949175094 /nfs/dbraw/zinc/17/50/94/949175094.db2.gz ABIFYMGOEOSABR-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574447967 949175106 /nfs/dbraw/zinc/17/51/06/949175106.db2.gz ABIFYMGOEOSABR-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CC(=O)N(C)CCN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574099646 949177180 /nfs/dbraw/zinc/17/71/80/949177180.db2.gz MOYBJUJNDOUNSX-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM CC(C)CC(=O)N(C)CCN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574099646 949177188 /nfs/dbraw/zinc/17/71/88/949177188.db2.gz MOYBJUJNDOUNSX-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM C[C@H](NC(=O)C(C)(F)F)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575253109 949179461 /nfs/dbraw/zinc/17/94/61/949179461.db2.gz SMDNCDGXJQKVFL-KWQFWETISA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H](NC(=O)C(C)(F)F)[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575253109 949179452 /nfs/dbraw/zinc/17/94/52/949179452.db2.gz SMDNCDGXJQKVFL-KWQFWETISA-N -1 3 383.359 0.196 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574448167 949180265 /nfs/dbraw/zinc/18/02/65/949180265.db2.gz DUSAYWDGRARPBR-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574448167 949180281 /nfs/dbraw/zinc/18/02/81/949180281.db2.gz DUSAYWDGRARPBR-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CC(=O)N(CCO)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001574099723 949183086 /nfs/dbraw/zinc/18/30/86/949183086.db2.gz OGCUEHXOJMOZEZ-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N(CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001574099723 949183097 /nfs/dbraw/zinc/18/30/97/949183097.db2.gz OGCUEHXOJMOZEZ-UHFFFAOYSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)c1ocnc1CN1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574448854 949190645 /nfs/dbraw/zinc/19/06/45/949190645.db2.gz NNUSHAAJTXWKQC-OCCSQVGLSA-N -1 3 386.416 0.281 20 0 GCADHM CC(C)c1ocnc1CN1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574448854 949190661 /nfs/dbraw/zinc/19/06/61/949190661.db2.gz NNUSHAAJTXWKQC-OCCSQVGLSA-N -1 3 386.416 0.281 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)n1cccc1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575253532 949191330 /nfs/dbraw/zinc/19/13/30/949191330.db2.gz URMQTDGHHFXJAQ-NEPJUHHUSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)n1cccc1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575253532 949191338 /nfs/dbraw/zinc/19/13/38/949191338.db2.gz URMQTDGHHFXJAQ-NEPJUHHUSA-N -1 3 382.428 0.834 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC[C@H]1CCCCCN1c1ncccc1-c1nnn[n-]1 ZINC001573788525 949199749 /nfs/dbraw/zinc/19/97/49/949199749.db2.gz LIBGPQJVBHOWSY-GFCCVEGCSA-N -1 3 386.460 0.638 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC[C@H]1CCCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573788525 949199760 /nfs/dbraw/zinc/19/97/60/949199760.db2.gz LIBGPQJVBHOWSY-GFCCVEGCSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575254341 949200311 /nfs/dbraw/zinc/20/03/11/949200311.db2.gz VJWSDKQGDHORMI-ZWNOBZJWSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575254341 949200290 /nfs/dbraw/zinc/20/02/90/949200290.db2.gz VJWSDKQGDHORMI-ZWNOBZJWSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573788618 949204352 /nfs/dbraw/zinc/20/43/52/949204352.db2.gz PFZWPSUJCPYJRT-LBPRGKRZSA-N -1 3 375.408 0.208 20 0 GCADHM CC(C)(C(N)=O)C(=O)NC[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573788618 949204372 /nfs/dbraw/zinc/20/43/72/949204372.db2.gz PFZWPSUJCPYJRT-LBPRGKRZSA-N -1 3 375.408 0.208 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573788658 949205514 /nfs/dbraw/zinc/20/55/14/949205514.db2.gz REOXJSLAGIOVIF-PHIMTYICSA-N -1 3 387.419 0.697 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573788658 949205534 /nfs/dbraw/zinc/20/55/34/949205534.db2.gz REOXJSLAGIOVIF-PHIMTYICSA-N -1 3 387.419 0.697 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576151175 949209892 /nfs/dbraw/zinc/20/98/92/949209892.db2.gz DGRHHQRRPLFGTF-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576151175 949209910 /nfs/dbraw/zinc/20/99/10/949209910.db2.gz DGRHHQRRPLFGTF-APPDUMDISA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576151178 949210493 /nfs/dbraw/zinc/21/04/93/949210493.db2.gz DGRHHQRRPLFGTF-PIGZYNQJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@]1(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576151178 949210511 /nfs/dbraw/zinc/21/05/11/949210511.db2.gz DGRHHQRRPLFGTF-PIGZYNQJSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574450276 949214100 /nfs/dbraw/zinc/21/41/00/949214100.db2.gz YVPHKBPUBPWKCN-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574450276 949214119 /nfs/dbraw/zinc/21/41/19/949214119.db2.gz YVPHKBPUBPWKCN-UHFFFAOYSA-N -1 3 384.400 0.903 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001573788800 949216345 /nfs/dbraw/zinc/21/63/45/949216345.db2.gz YCFJCTYHXWKWQG-XIKOKIGWSA-N -1 3 384.444 0.058 20 0 GCADHM CC(C)(C(N)=O)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001573788800 949216364 /nfs/dbraw/zinc/21/63/64/949216364.db2.gz YCFJCTYHXWKWQG-XIKOKIGWSA-N -1 3 384.444 0.058 20 0 GCADHM CC(C)c1oncc1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574451171 949217721 /nfs/dbraw/zinc/21/77/21/949217721.db2.gz FUZUCRGQVKLBEW-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574451171 949217739 /nfs/dbraw/zinc/21/77/39/949217739.db2.gz FUZUCRGQVKLBEW-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)CC(=O)N1CC[C@H](N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001574102967 949220199 /nfs/dbraw/zinc/22/01/99/949220199.db2.gz HIPDQKFXHVZJOI-AWEZNQCLSA-N -1 3 385.476 0.426 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576151484 949221708 /nfs/dbraw/zinc/22/17/08/949221708.db2.gz FUSRMINIPZLWER-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576151484 949221735 /nfs/dbraw/zinc/22/17/35/949221735.db2.gz FUSRMINIPZLWER-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574451311 949225722 /nfs/dbraw/zinc/22/57/22/949225722.db2.gz LYSBDHMXQINWJJ-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574451311 949225740 /nfs/dbraw/zinc/22/57/40/949225740.db2.gz LYSBDHMXQINWJJ-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574937751 949229914 /nfs/dbraw/zinc/22/99/14/949229914.db2.gz QHCVCCXEYIQJGF-SECBINFHSA-N -1 3 384.400 0.537 20 0 GCADHM C[C@H](CNC(=O)Cc1cc(C2CC2)no1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574937751 949229938 /nfs/dbraw/zinc/22/99/38/949229938.db2.gz QHCVCCXEYIQJGF-SECBINFHSA-N -1 3 384.400 0.537 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@@H](N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573792353 949245600 /nfs/dbraw/zinc/24/56/00/949245600.db2.gz OSCYYPUSVQKXOU-CYBMUJFWSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)(C)C(=O)C(=O)NCC1(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573792530 949250779 /nfs/dbraw/zinc/25/07/79/949250779.db2.gz AKEGUHUOTRUZGV-UHFFFAOYSA-N -1 3 387.444 0.826 20 0 GCADHM CC(C)(C)C(=O)C(=O)NCC1(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573792530 949250807 /nfs/dbraw/zinc/25/08/07/949250807.db2.gz AKEGUHUOTRUZGV-UHFFFAOYSA-N -1 3 387.444 0.826 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575521010 949252254 /nfs/dbraw/zinc/25/22/54/949252254.db2.gz CJNYOACTVNXAKG-RTXFEEFZSA-N -1 3 382.432 0.373 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575521010 949252278 /nfs/dbraw/zinc/25/22/78/949252278.db2.gz CJNYOACTVNXAKG-RTXFEEFZSA-N -1 3 382.432 0.373 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574938709 949254317 /nfs/dbraw/zinc/25/43/17/949254317.db2.gz ZIXQFNYAOHROBV-LLVKDONJSA-N -1 3 380.412 0.520 20 0 GCADHM C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574938709 949254341 /nfs/dbraw/zinc/25/43/41/949254341.db2.gz ZIXQFNYAOHROBV-LLVKDONJSA-N -1 3 380.412 0.520 20 0 GCADHM C[C@@H](CNC(=O)Cc1c(F)cccc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574938726 949254514 /nfs/dbraw/zinc/25/45/14/949254514.db2.gz ZQCXKJRKKKZALL-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)Cc1c(F)cccc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574938726 949254538 /nfs/dbraw/zinc/25/45/38/949254538.db2.gz ZQCXKJRKKKZALL-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@]1(c2cccnc2Cl)NC(=O)N(Cc2ncc(-c3nnn[n-]3)cn2)C1=O ZINC001575856714 949254846 /nfs/dbraw/zinc/25/48/46/949254846.db2.gz JBWRXZJDPCJXPU-OAHLLOKOSA-N -1 3 385.775 0.672 20 0 GCADHM C[C@]1(c2cccnc2Cl)NC(=O)N(Cc2ncc(-c3nn[n-]n3)cn2)C1=O ZINC001575856714 949254863 /nfs/dbraw/zinc/25/48/63/949254863.db2.gz JBWRXZJDPCJXPU-OAHLLOKOSA-N -1 3 385.775 0.672 20 0 GCADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cn1 ZINC001574452232 949256306 /nfs/dbraw/zinc/25/63/06/949256306.db2.gz HBZTWDUXRFEHGM-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)cn1 ZINC001574452232 949256324 /nfs/dbraw/zinc/25/63/24/949256324.db2.gz HBZTWDUXRFEHGM-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575521208 949257136 /nfs/dbraw/zinc/25/71/36/949257136.db2.gz DJXXVYJJUPPURD-NSHDSACASA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001574452223 949257427 /nfs/dbraw/zinc/25/74/27/949257427.db2.gz GVEDTTRQHJJOFK-LBPRGKRZSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001574452223 949257454 /nfs/dbraw/zinc/25/74/54/949257454.db2.gz GVEDTTRQHJJOFK-LBPRGKRZSA-N -1 3 388.407 0.986 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575521208 949257158 /nfs/dbraw/zinc/25/71/58/949257158.db2.gz DJXXVYJJUPPURD-NSHDSACASA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521274 949260123 /nfs/dbraw/zinc/26/01/23/949260123.db2.gz FHHPFYQEEFGOHO-VXGBXAGGSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521274 949260131 /nfs/dbraw/zinc/26/01/31/949260131.db2.gz FHHPFYQEEFGOHO-VXGBXAGGSA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521576 949262571 /nfs/dbraw/zinc/26/25/71/949262571.db2.gz GVSSMHSDTWABTO-NXEZZACHSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521576 949262595 /nfs/dbraw/zinc/26/25/95/949262595.db2.gz GVSSMHSDTWABTO-NXEZZACHSA-N -1 3 391.461 0.172 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001574452466 949264147 /nfs/dbraw/zinc/26/41/47/949264147.db2.gz KALRVXBQBLOMKJ-GFCCVEGCSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001574452466 949264166 /nfs/dbraw/zinc/26/41/66/949264166.db2.gz KALRVXBQBLOMKJ-GFCCVEGCSA-N -1 3 388.407 0.986 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521579 949264344 /nfs/dbraw/zinc/26/43/44/949264344.db2.gz GVSSMHSDTWABTO-ZJUUUORDSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@H](c1csnn1)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521579 949264364 /nfs/dbraw/zinc/26/43/64/949264364.db2.gz GVSSMHSDTWABTO-ZJUUUORDSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575522043 949266563 /nfs/dbraw/zinc/26/65/63/949266563.db2.gz KEFIAJHCAUSCIM-NWDGAFQWSA-N -1 3 384.448 0.478 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574452895 949273551 /nfs/dbraw/zinc/27/35/51/949273551.db2.gz QKEMZTSMBMEWGS-SNVBAGLBSA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574452895 949273568 /nfs/dbraw/zinc/27/35/68/949273568.db2.gz QKEMZTSMBMEWGS-SNVBAGLBSA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)CC(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574106737 949276065 /nfs/dbraw/zinc/27/60/65/949276065.db2.gz GOMUTRJLQPNOTN-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574106737 949276087 /nfs/dbraw/zinc/27/60/87/949276087.db2.gz GOMUTRJLQPNOTN-KRWDZBQOSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575522383 949277250 /nfs/dbraw/zinc/27/72/50/949277250.db2.gz KYGJVEVZKDJSNE-NSHDSACASA-N -1 3 384.448 0.526 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575522383 949277267 /nfs/dbraw/zinc/27/72/67/949277267.db2.gz KYGJVEVZKDJSNE-NSHDSACASA-N -1 3 384.448 0.526 20 0 GCADHM CC(C)(C)C(=O)N1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001573792971 949280188 /nfs/dbraw/zinc/28/01/88/949280188.db2.gz ZFPCBZWBAHYXHB-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)N1CC2(C1)CC[C@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001573792971 949280211 /nfs/dbraw/zinc/28/02/11/949280211.db2.gz ZFPCBZWBAHYXHB-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576153163 949282595 /nfs/dbraw/zinc/28/25/95/949282595.db2.gz LBGBEJCFXAZAIO-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576153163 949282618 /nfs/dbraw/zinc/28/26/18/949282618.db2.gz LBGBEJCFXAZAIO-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575522964 949284177 /nfs/dbraw/zinc/28/41/77/949284177.db2.gz NOYMZNDASVMAJM-PDEGPIFNSA-N -1 3 385.457 0.715 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575522964 949284194 /nfs/dbraw/zinc/28/41/94/949284194.db2.gz NOYMZNDASVMAJM-PDEGPIFNSA-N -1 3 385.457 0.715 20 0 GCADHM C[C@H](c1cnccn1)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575523020 949285038 /nfs/dbraw/zinc/28/50/38/949285038.db2.gz OEQLOUMKVRCSAT-YPMHNXCESA-N -1 3 383.416 0.177 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574702412 949284787 /nfs/dbraw/zinc/28/47/87/949284787.db2.gz ITQDSUUZNFBSIO-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574702412 949284805 /nfs/dbraw/zinc/28/48/05/949284805.db2.gz ITQDSUUZNFBSIO-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](c1cnccn1)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575523020 949285060 /nfs/dbraw/zinc/28/50/60/949285060.db2.gz OEQLOUMKVRCSAT-YPMHNXCESA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575523081 949285630 /nfs/dbraw/zinc/28/56/30/949285630.db2.gz PFIXQDPYZBUWLX-UWVGGRQHSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575523081 949285650 /nfs/dbraw/zinc/28/56/50/949285650.db2.gz PFIXQDPYZBUWLX-UWVGGRQHSA-N -1 3 389.445 0.238 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573793164 949285825 /nfs/dbraw/zinc/28/58/25/949285825.db2.gz NARQXJNGPCSUBM-WDEREUQCSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573793164 949285842 /nfs/dbraw/zinc/28/58/42/949285842.db2.gz NARQXJNGPCSUBM-WDEREUQCSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)C(=O)N1CC(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001573793349 949289919 /nfs/dbraw/zinc/28/99/19/949289919.db2.gz PRMZCADVSVYYRW-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)(C)C(=O)N1CC(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573793349 949289942 /nfs/dbraw/zinc/28/99/42/949289942.db2.gz PRMZCADVSVYYRW-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574454807 949290543 /nfs/dbraw/zinc/29/05/43/949290543.db2.gz GBIWJZXHESXOFM-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1cc(CN2CC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574454807 949290559 /nfs/dbraw/zinc/29/05/59/949290559.db2.gz GBIWJZXHESXOFM-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CC1=C(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860195 949292822 /nfs/dbraw/zinc/29/28/22/949292822.db2.gz DDLGNWVSMJZINJ-SNVBAGLBSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860195 949292843 /nfs/dbraw/zinc/29/28/43/949292843.db2.gz DDLGNWVSMJZINJ-SNVBAGLBSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@H](c1nncn1C)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575523482 949293514 /nfs/dbraw/zinc/29/35/14/949293514.db2.gz QGUXOTPUMPTXQQ-VXGBXAGGSA-N -1 3 384.448 0.669 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575258228 949294493 /nfs/dbraw/zinc/29/44/93/949294493.db2.gz FSAADVJCALUOKE-STQMWFEESA-N -1 3 385.428 0.871 20 0 GCADHM 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CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)cn1 ZINC001574454951 949296873 /nfs/dbraw/zinc/29/68/73/949296873.db2.gz ITGPPXSFEALXCG-ZIAGYGMSSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)cn1 ZINC001574454951 949296895 /nfs/dbraw/zinc/29/68/95/949296895.db2.gz ITGPPXSFEALXCG-ZIAGYGMSSA-N -1 3 383.416 0.019 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576153789 949299739 /nfs/dbraw/zinc/29/97/39/949299739.db2.gz BGUPDORGAXPEAN-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576153789 949299741 /nfs/dbraw/zinc/29/97/41/949299741.db2.gz BGUPDORGAXPEAN-NWDGAFQWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@]1(C(=O)N(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCOC1 ZINC001575523604 949299921 /nfs/dbraw/zinc/29/99/21/949299921.db2.gz CVQKNTYGPLUCPH-SFHVURJKSA-N -1 3 387.444 0.732 20 0 GCADHM 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ZINC001574108855 949302087 /nfs/dbraw/zinc/30/20/87/949302087.db2.gz SLXGDOXSJAPEND-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CCO2 ZINC001574108855 949302108 /nfs/dbraw/zinc/30/21/08/949302108.db2.gz SLXGDOXSJAPEND-GOSISDBHSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001574455021 949302389 /nfs/dbraw/zinc/30/23/89/949302389.db2.gz LISYVAONAAEUTD-JOCQHMNTSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001574455021 949302411 /nfs/dbraw/zinc/30/24/11/949302411.db2.gz LISYVAONAAEUTD-JOCQHMNTSA-N -1 3 383.416 0.663 20 0 GCADHM CC1=C(C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001575860910 949314549 /nfs/dbraw/zinc/31/45/49/949314549.db2.gz MJKOWYCRSAEJPV-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)NC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001575860910 949314567 /nfs/dbraw/zinc/31/45/67/949314567.db2.gz MJKOWYCRSAEJPV-ZDUSSCGKSA-N -1 3 385.428 1.000 20 0 GCADHM C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nnn[n-]4)c3)C[C@]1(C)C(=O)NC2=O ZINC001575860946 949315899 /nfs/dbraw/zinc/31/58/99/949315899.db2.gz NUXWZOKXFFCLBS-AUECHSEWSA-N -1 3 380.408 0.481 20 0 GCADHM C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3cccc(-c4nn[n-]n4)c3)C[C@]1(C)C(=O)NC2=O ZINC001575860946 949315921 /nfs/dbraw/zinc/31/59/21/949315921.db2.gz NUXWZOKXFFCLBS-AUECHSEWSA-N -1 3 380.408 0.481 20 0 GCADHM C[C@@H](c1ncccn1)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575524502 949321845 /nfs/dbraw/zinc/32/18/45/949321845.db2.gz UDSSZKQAKOEZPU-AAEUAGOBSA-N -1 3 385.432 0.111 20 0 GCADHM C[C@@H](c1ncccn1)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575524502 949321867 /nfs/dbraw/zinc/32/18/67/949321867.db2.gz UDSSZKQAKOEZPU-AAEUAGOBSA-N -1 3 385.432 0.111 20 0 GCADHM C[C@H](CN(C)C(=O)C1(C)CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574703316 949324712 /nfs/dbraw/zinc/32/47/12/949324712.db2.gz UNYNUTKRMPXOEC-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)C1(C)CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574703316 949324728 /nfs/dbraw/zinc/32/47/28/949324728.db2.gz UNYNUTKRMPXOEC-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573795444 949325871 /nfs/dbraw/zinc/32/58/71/949325871.db2.gz NFMQPCOFCVCTIZ-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573795444 949325893 /nfs/dbraw/zinc/32/58/93/949325893.db2.gz NFMQPCOFCVCTIZ-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575525088 949330720 /nfs/dbraw/zinc/33/07/20/949330720.db2.gz WACIMTSWEIELDM-YPMHNXCESA-N -1 3 384.448 0.621 20 0 GCADHM C[C@H](c1nncn1C)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575525088 949330742 /nfs/dbraw/zinc/33/07/42/949330742.db2.gz WACIMTSWEIELDM-YPMHNXCESA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574109747 949331317 /nfs/dbraw/zinc/33/13/17/949331317.db2.gz CBBXQCSXJFLDEF-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574109747 949331336 /nfs/dbraw/zinc/33/13/36/949331336.db2.gz CBBXQCSXJFLDEF-LBPRGKRZSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1ccc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001574457648 949333319 /nfs/dbraw/zinc/33/33/19/949333319.db2.gz MCBQGILFTWKMGD-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1ccc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001574457648 949333341 /nfs/dbraw/zinc/33/33/41/949333341.db2.gz MCBQGILFTWKMGD-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574457690 949333770 /nfs/dbraw/zinc/33/37/70/949333770.db2.gz MXMPZWHQBKVLMJ-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574457690 949333794 /nfs/dbraw/zinc/33/37/94/949333794.db2.gz MXMPZWHQBKVLMJ-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574109848 949334445 /nfs/dbraw/zinc/33/44/45/949334445.db2.gz FRJUYCKANNBJPU-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574109848 949334467 /nfs/dbraw/zinc/33/44/67/949334467.db2.gz FRJUYCKANNBJPU-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](c1ncccn1)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524995 949335422 /nfs/dbraw/zinc/33/54/22/949335422.db2.gz VGDQYKNSSICTBE-AAEUAGOBSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H](c1ncccn1)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524995 949335443 /nfs/dbraw/zinc/33/54/43/949335443.db2.gz VGDQYKNSSICTBE-AAEUAGOBSA-N -1 3 383.416 0.177 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575525265 949340022 /nfs/dbraw/zinc/34/00/22/949340022.db2.gz WZJUCQCZYSVMNK-CMPLNLGQSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575525265 949340044 /nfs/dbraw/zinc/34/00/44/949340044.db2.gz WZJUCQCZYSVMNK-CMPLNLGQSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575525274 949340090 /nfs/dbraw/zinc/34/00/90/949340090.db2.gz WZJUCQCZYSVMNK-ZYHUDNBSSA-N -1 3 385.436 0.016 20 0 GCADHM C[C@H](c1nnnn1C)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575525274 949340109 /nfs/dbraw/zinc/34/01/09/949340109.db2.gz WZJUCQCZYSVMNK-ZYHUDNBSSA-N -1 3 385.436 0.016 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574458587 949341471 /nfs/dbraw/zinc/34/14/71/949341471.db2.gz UAPGJADOJVGWLU-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574458587 949341493 /nfs/dbraw/zinc/34/14/93/949341493.db2.gz UAPGJADOJVGWLU-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)CC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574110046 949341743 /nfs/dbraw/zinc/34/17/43/949341743.db2.gz NQSBMUIBDFZVKW-FZMZJTMJSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574110046 949341759 /nfs/dbraw/zinc/34/17/59/949341759.db2.gz NQSBMUIBDFZVKW-FZMZJTMJSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574110048 949341877 /nfs/dbraw/zinc/34/18/77/949341877.db2.gz NQSBMUIBDFZVKW-SMDDNHRTSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574110048 949341887 /nfs/dbraw/zinc/34/18/87/949341887.db2.gz NQSBMUIBDFZVKW-SMDDNHRTSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@](CNC(=O)Cc1ccon1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574942243 949342035 /nfs/dbraw/zinc/34/20/35/949342035.db2.gz LTBVDGURVSTGBX-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@](CNC(=O)Cc1ccon1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574942243 949342057 /nfs/dbraw/zinc/34/20/57/949342057.db2.gz LTBVDGURVSTGBX-KRWDZBQOSA-N -1 3 384.400 0.440 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2ncccc2-c2nnn[n-]2)n1 ZINC001574458586 949342776 /nfs/dbraw/zinc/34/27/76/949342776.db2.gz TZYKKMODMMMWSN-LBPRGKRZSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2ncccc2-c2nn[n-]n2)n1 ZINC001574458586 949342798 /nfs/dbraw/zinc/34/27/98/949342798.db2.gz TZYKKMODMMMWSN-LBPRGKRZSA-N -1 3 385.432 0.584 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575525421 949344313 /nfs/dbraw/zinc/34/43/13/949344313.db2.gz NNLHOCBSRPXXJB-SNVBAGLBSA-N -1 3 385.436 0.281 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575525421 949344334 /nfs/dbraw/zinc/34/43/34/949344334.db2.gz NNLHOCBSRPXXJB-SNVBAGLBSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574110047 949344120 /nfs/dbraw/zinc/34/41/20/949344120.db2.gz NQSBMUIBDFZVKW-RISCZKNCSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574110047 949344143 /nfs/dbraw/zinc/34/41/43/949344143.db2.gz NQSBMUIBDFZVKW-RISCZKNCSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574458306 949344441 /nfs/dbraw/zinc/34/44/41/949344441.db2.gz SKLNKYLUHQBLSK-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574458306 949344459 /nfs/dbraw/zinc/34/44/59/949344459.db2.gz SKLNKYLUHQBLSK-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]1(C)CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574703738 949344991 /nfs/dbraw/zinc/34/49/91/949344991.db2.gz XKBHCPNJJJNZLH-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)[C@]1(C)CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574703738 949345012 /nfs/dbraw/zinc/34/50/12/949345012.db2.gz XKBHCPNJJJNZLH-PIGZYNQJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](c1csnn1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575525539 949346286 /nfs/dbraw/zinc/34/62/86/949346286.db2.gz XICRNFLDOFTYQS-SNVBAGLBSA-N -1 3 385.457 0.955 20 0 GCADHM C[C@H](c1csnn1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575525539 949346305 /nfs/dbraw/zinc/34/63/05/949346305.db2.gz XICRNFLDOFTYQS-SNVBAGLBSA-N -1 3 385.457 0.955 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575260104 949346736 /nfs/dbraw/zinc/34/67/36/949346736.db2.gz USUZMQKXNGIZRV-NWDGAFQWSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575260104 949346758 /nfs/dbraw/zinc/34/67/58/949346758.db2.gz USUZMQKXNGIZRV-NWDGAFQWSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573798395 949347474 /nfs/dbraw/zinc/34/74/74/949347474.db2.gz BBPIJKAZRZYQPJ-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573798395 949347496 /nfs/dbraw/zinc/34/74/96/949347496.db2.gz BBPIJKAZRZYQPJ-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260103 949348471 /nfs/dbraw/zinc/34/84/71/949348471.db2.gz USUZMQKXNGIZRV-NEPJUHHUSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260103 949348492 /nfs/dbraw/zinc/34/84/92/949348492.db2.gz USUZMQKXNGIZRV-NEPJUHHUSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574458834 949351090 /nfs/dbraw/zinc/35/10/90/949351090.db2.gz ZRUDNXXBYURXOM-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574458834 949351110 /nfs/dbraw/zinc/35/11/10/949351110.db2.gz ZRUDNXXBYURXOM-UHFFFAOYSA-N -1 3 385.432 0.816 20 0 GCADHM C[C@H](c1ncccn1)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575525537 949351390 /nfs/dbraw/zinc/35/13/90/949351390.db2.gz XEEOVKSOFRURKB-VXGBXAGGSA-N -1 3 385.432 0.111 20 0 GCADHM C[C@H](c1ncccn1)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575525537 949351410 /nfs/dbraw/zinc/35/14/10/949351410.db2.gz XEEOVKSOFRURKB-VXGBXAGGSA-N -1 3 385.432 0.111 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573798742 949352537 /nfs/dbraw/zinc/35/25/37/949352537.db2.gz DKEYRSNPIWCPDY-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573798742 949352561 /nfs/dbraw/zinc/35/25/61/949352561.db2.gz DKEYRSNPIWCPDY-UHFFFAOYSA-N -1 3 389.435 0.469 20 0 GCADHM CC1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001575525766 949352486 /nfs/dbraw/zinc/35/24/86/949352486.db2.gz QQDYDUUPJMIMEG-UHFFFAOYSA-N -1 3 375.433 0.326 20 0 GCADHM CC1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001575525766 949352504 /nfs/dbraw/zinc/35/25/04/949352504.db2.gz QQDYDUUPJMIMEG-UHFFFAOYSA-N -1 3 375.433 0.326 20 0 GCADHM C[C@@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575525681 949353211 /nfs/dbraw/zinc/35/32/11/949353211.db2.gz ZHAKCLRDTKWCSK-SLEUVZQESA-N -1 3 379.428 0.892 20 0 GCADHM C[C@@H](c1ncccn1)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575525681 949353227 /nfs/dbraw/zinc/35/32/27/949353227.db2.gz ZHAKCLRDTKWCSK-SLEUVZQESA-N -1 3 379.428 0.892 20 0 GCADHM CC(C)CC(=O)N1CCN(C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001574110172 949354779 /nfs/dbraw/zinc/35/47/79/949354779.db2.gz TVOQPGZMPNWWPD-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)CC(=O)N1CCN(C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001574110172 949354799 /nfs/dbraw/zinc/35/47/99/949354799.db2.gz TVOQPGZMPNWWPD-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nnnn1C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575526269 949362323 /nfs/dbraw/zinc/36/23/23/949362323.db2.gz WWOSJPVKJVYYFZ-LLVKDONJSA-N -1 3 387.452 0.262 20 0 GCADHM CC(C)N(CCN(C)[C@H](C)c1nnnn1C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575526269 949362337 /nfs/dbraw/zinc/36/23/37/949362337.db2.gz WWOSJPVKJVYYFZ-LLVKDONJSA-N -1 3 387.452 0.262 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001574459475 949363989 /nfs/dbraw/zinc/36/39/89/949363989.db2.gz IDWLKWLEUUYVLD-CQSZACIVSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574459475 949364012 /nfs/dbraw/zinc/36/40/12/949364012.db2.gz IDWLKWLEUUYVLD-CQSZACIVSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574460159 949371152 /nfs/dbraw/zinc/37/11/52/949371152.db2.gz RAYIYMDBJMBSSL-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM CC(C)n1ccc(CC(=O)NCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574460159 949371172 /nfs/dbraw/zinc/37/11/72/949371172.db2.gz RAYIYMDBJMBSSL-UHFFFAOYSA-N -1 3 385.432 0.403 20 0 GCADHM C[C@](CNC(=O)Cc1ccon1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574942951 949372576 /nfs/dbraw/zinc/37/25/76/949372576.db2.gz TZNITIRLOVFBII-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)Cc1ccon1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574942951 949372598 /nfs/dbraw/zinc/37/25/98/949372598.db2.gz TZNITIRLOVFBII-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575527458 949374639 /nfs/dbraw/zinc/37/46/39/949374639.db2.gz CRNPGBBQSJMADH-KPZWWZAWSA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575527458 949374650 /nfs/dbraw/zinc/37/46/50/949374650.db2.gz CRNPGBBQSJMADH-KPZWWZAWSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@H](CNC(=O)Cc1ccn(C)n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574943061 949374782 /nfs/dbraw/zinc/37/47/82/949374782.db2.gz VQUUDPASSKJMPT-SECBINFHSA-N -1 3 375.824 0.808 20 0 GCADHM C[C@H](CNC(=O)Cc1ccn(C)n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574943061 949374804 /nfs/dbraw/zinc/37/48/04/949374804.db2.gz VQUUDPASSKJMPT-SECBINFHSA-N -1 3 375.824 0.808 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573799940 949376962 /nfs/dbraw/zinc/37/69/62/949376962.db2.gz RLNMVVQGYXHARV-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573799940 949376984 /nfs/dbraw/zinc/37/69/84/949376984.db2.gz RLNMVVQGYXHARV-GFCCVEGCSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](CNC(=O)Cc1cncn1C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574943472 949381693 /nfs/dbraw/zinc/38/16/93/949381693.db2.gz YAGZLHSDCKLOLB-LBPRGKRZSA-N -1 3 386.435 0.919 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574460717 949382827 /nfs/dbraw/zinc/38/28/27/949382827.db2.gz YSKDIEASUQSJMC-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574460717 949382846 /nfs/dbraw/zinc/38/28/46/949382846.db2.gz YSKDIEASUQSJMC-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM C[C@](CNC(=O)Cc1cc[nH]n1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574943794 949383095 /nfs/dbraw/zinc/38/30/95/949383095.db2.gz YOYVYBPSLCJMIX-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@](CNC(=O)Cc1cc[nH]n1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574943794 949383120 /nfs/dbraw/zinc/38/31/20/949383120.db2.gz YOYVYBPSLCJMIX-QGZVFWFLSA-N -1 3 383.416 0.175 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCOC1)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575262787 949384466 /nfs/dbraw/zinc/38/44/66/949384466.db2.gz CDFDDPKQHCSJEO-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCOC1)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575262787 949384486 /nfs/dbraw/zinc/38/44/86/949384486.db2.gz CDFDDPKQHCSJEO-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCO1)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575263162 949386938 /nfs/dbraw/zinc/38/69/38/949386938.db2.gz FFNQFJGFHSRMTC-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCO1)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575263162 949386958 /nfs/dbraw/zinc/38/69/58/949386958.db2.gz FFNQFJGFHSRMTC-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573800285 949388411 /nfs/dbraw/zinc/38/84/11/949388411.db2.gz WLYZULGDMDKQGE-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573800285 949388434 /nfs/dbraw/zinc/38/84/34/949388434.db2.gz WLYZULGDMDKQGE-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001575865940 949391099 /nfs/dbraw/zinc/39/10/99/949391099.db2.gz OXQBLWXETMDTFP-JTQLQIEISA-N -1 3 385.409 0.793 20 0 GCADHM C[C@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001575865940 949391118 /nfs/dbraw/zinc/39/11/18/949391118.db2.gz OXQBLWXETMDTFP-JTQLQIEISA-N -1 3 385.409 0.793 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575263552 949396042 /nfs/dbraw/zinc/39/60/42/949396042.db2.gz HTIAHNUYQBROGJ-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCCO1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575263552 949396063 /nfs/dbraw/zinc/39/60/63/949396063.db2.gz HTIAHNUYQBROGJ-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576155327 949396412 /nfs/dbraw/zinc/39/64/12/949396412.db2.gz IDODFOVKIMLUIB-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@@H]1CC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576155327 949396435 /nfs/dbraw/zinc/39/64/35/949396435.db2.gz IDODFOVKIMLUIB-VXGBXAGGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575528345 949397797 /nfs/dbraw/zinc/39/77/97/949397797.db2.gz SPGSPGFKKMZZDL-JCGVRSQUSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575528345 949397818 /nfs/dbraw/zinc/39/78/18/949397818.db2.gz SPGSPGFKKMZZDL-JCGVRSQUSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575528344 949398869 /nfs/dbraw/zinc/39/88/69/949398869.db2.gz SPGSPGFKKMZZDL-FHSNZYRGSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575528344 949398885 /nfs/dbraw/zinc/39/88/85/949398885.db2.gz SPGSPGFKKMZZDL-FHSNZYRGSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575263698 949404351 /nfs/dbraw/zinc/40/43/51/949404351.db2.gz IUCJVXOFYHJTHX-RISCZKNCSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575263698 949404365 /nfs/dbraw/zinc/40/43/65/949404365.db2.gz IUCJVXOFYHJTHX-RISCZKNCSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@@H](CNC(=O)Cc1cnn(C)c1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574945011 949404429 /nfs/dbraw/zinc/40/44/29/949404429.db2.gz IONUIBBJVAHWJZ-JTQLQIEISA-N -1 3 389.851 0.832 20 0 GCADHM C[C@@H](CNC(=O)Cc1cnn(C)c1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574945011 949404450 /nfs/dbraw/zinc/40/44/50/949404450.db2.gz IONUIBBJVAHWJZ-JTQLQIEISA-N -1 3 389.851 0.832 20 0 GCADHM C[C@](CNC(=O)Cc1cnoc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574945042 949405464 /nfs/dbraw/zinc/40/54/64/949405464.db2.gz JHTGSVNVEGPOOI-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)Cc1cnoc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574945042 949405474 /nfs/dbraw/zinc/40/54/74/949405474.db2.gz JHTGSVNVEGPOOI-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc[nH]n1)CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001574945031 949406468 /nfs/dbraw/zinc/40/64/68/949406468.db2.gz JAZYWJLPQGRYEJ-LURJTMIESA-N -1 3 382.841 0.502 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575263774 949408099 /nfs/dbraw/zinc/40/80/99/949408099.db2.gz JIYCQFCJSNZJJP-NWDGAFQWSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575263774 949408113 /nfs/dbraw/zinc/40/81/13/949408113.db2.gz JIYCQFCJSNZJJP-NWDGAFQWSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575263762 949408484 /nfs/dbraw/zinc/40/84/84/949408484.db2.gz JGJVOEYJCWWQCL-MLCYQJTMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575263762 949408492 /nfs/dbraw/zinc/40/84/92/949408492.db2.gz JGJVOEYJCWWQCL-MLCYQJTMSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575263822 949412072 /nfs/dbraw/zinc/41/20/72/949412072.db2.gz JXULBDMYJUXECX-OTYXRUKQSA-N -1 3 389.391 0.051 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001574114464 949412550 /nfs/dbraw/zinc/41/25/50/949412550.db2.gz UOOWSTYJTRFAAH-ZDUSSCGKSA-N -1 3 391.407 0.028 20 0 GCADHM CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001574114464 949412566 /nfs/dbraw/zinc/41/25/66/949412566.db2.gz UOOWSTYJTRFAAH-ZDUSSCGKSA-N -1 3 391.407 0.028 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)CC=CC1 ZINC001575533562 949415716 /nfs/dbraw/zinc/41/57/16/949415716.db2.gz HOGSACWQXRFZTN-GXTWGEPZSA-N -1 3 385.428 0.243 20 0 GCADHM CC1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)CC=CC1 ZINC001575533562 949415729 /nfs/dbraw/zinc/41/57/29/949415729.db2.gz HOGSACWQXRFZTN-GXTWGEPZSA-N -1 3 385.428 0.243 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574114605 949415827 /nfs/dbraw/zinc/41/58/27/949415827.db2.gz VRJVCIOGFKNKRP-GFCCVEGCSA-N -1 3 377.380 0.351 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574114605 949415845 /nfs/dbraw/zinc/41/58/45/949415845.db2.gz VRJVCIOGFKNKRP-GFCCVEGCSA-N -1 3 377.380 0.351 20 0 GCADHM CC(C)n1cnc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c1 ZINC001574464674 949419777 /nfs/dbraw/zinc/41/97/77/949419777.db2.gz QRYKVSATFQGWKS-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)n1cnc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c1 ZINC001574464674 949419790 /nfs/dbraw/zinc/41/97/90/949419790.db2.gz QRYKVSATFQGWKS-UHFFFAOYSA-N -1 3 383.416 0.570 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573802554 949422358 /nfs/dbraw/zinc/42/23/58/949422358.db2.gz IGBPSUILQCCZLU-XYPYZODXSA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573802554 949422370 /nfs/dbraw/zinc/42/23/70/949422370.db2.gz IGBPSUILQCCZLU-XYPYZODXSA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001574465050 949426369 /nfs/dbraw/zinc/42/63/69/949426369.db2.gz UXRSWPGFAUCDEA-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001574465050 949426379 /nfs/dbraw/zinc/42/63/79/949426379.db2.gz UXRSWPGFAUCDEA-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575534286 949427751 /nfs/dbraw/zinc/42/77/51/949427751.db2.gz MJPQGARZCHZAPK-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575534286 949427763 /nfs/dbraw/zinc/42/77/63/949427763.db2.gz MJPQGARZCHZAPK-KZULUSFZSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@H](CNC(=O)Cc1cncn1C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC001574946158 949429774 /nfs/dbraw/zinc/42/97/74/949429774.db2.gz SHNPQWNEPTWQPE-ZETCQYMHSA-N -1 3 381.853 0.869 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001573802892 949431704 /nfs/dbraw/zinc/43/17/04/949431704.db2.gz KWKBSDNKTPPRNA-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001573802892 949431718 /nfs/dbraw/zinc/43/17/18/949431718.db2.gz KWKBSDNKTPPRNA-GFCCVEGCSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574465407 949433119 /nfs/dbraw/zinc/43/31/19/949433119.db2.gz XPZRTNDLGDEQFO-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574465407 949433136 /nfs/dbraw/zinc/43/31/36/949433136.db2.gz XPZRTNDLGDEQFO-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574465145 949435348 /nfs/dbraw/zinc/43/53/48/949435348.db2.gz PTNMDVZCHJJTJO-LBPRGKRZSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574465145 949435364 /nfs/dbraw/zinc/43/53/64/949435364.db2.gz PTNMDVZCHJJTJO-LBPRGKRZSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574465144 949435691 /nfs/dbraw/zinc/43/56/91/949435691.db2.gz PTNMDVZCHJJTJO-GFCCVEGCSA-N -1 3 386.416 0.098 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574465144 949435711 /nfs/dbraw/zinc/43/57/11/949435711.db2.gz PTNMDVZCHJJTJO-GFCCVEGCSA-N -1 3 386.416 0.098 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574705809 949437694 /nfs/dbraw/zinc/43/76/94/949437694.db2.gz VTRCPKGKZUHTOV-GXSJLCMTSA-N -1 3 392.851 0.652 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574705809 949437703 /nfs/dbraw/zinc/43/77/03/949437703.db2.gz VTRCPKGKZUHTOV-GXSJLCMTSA-N -1 3 392.851 0.652 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573803291 949438315 /nfs/dbraw/zinc/43/83/15/949438315.db2.gz MWMZRKBPIOQQFZ-UHFFFAOYSA-N -1 3 391.501 0.639 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574465435 949439831 /nfs/dbraw/zinc/43/98/31/949439831.db2.gz YHNUOVZLGCJBDK-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574465435 949439853 /nfs/dbraw/zinc/43/98/53/949439853.db2.gz YHNUOVZLGCJBDK-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001575265112 949441561 /nfs/dbraw/zinc/44/15/61/949441561.db2.gz SKAAFEJAVCBJSU-GFCCVEGCSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001575265112 949441577 /nfs/dbraw/zinc/44/15/77/949441577.db2.gz SKAAFEJAVCBJSU-GFCCVEGCSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001574465673 949442065 /nfs/dbraw/zinc/44/20/65/949442065.db2.gz VEGCIWMXPOWKGQ-HIFRSBDPSA-N -1 3 382.428 0.624 20 0 GCADHM CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001574465673 949442083 /nfs/dbraw/zinc/44/20/83/949442083.db2.gz VEGCIWMXPOWKGQ-HIFRSBDPSA-N -1 3 382.428 0.624 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575265228 949443293 /nfs/dbraw/zinc/44/32/93/949443293.db2.gz SMDPTHILLQSIOE-OTYXRUKQSA-N -1 3 389.391 0.051 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574947546 949448296 /nfs/dbraw/zinc/44/82/96/949448296.db2.gz BYTXEGMTZDQIJS-SNVBAGLBSA-N -1 3 375.824 0.753 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574947546 949448313 /nfs/dbraw/zinc/44/83/13/949448313.db2.gz BYTXEGMTZDQIJS-SNVBAGLBSA-N -1 3 375.824 0.753 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574468038 949451947 /nfs/dbraw/zinc/45/19/47/949451947.db2.gz FUYZZKDLLQFPTN-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574468038 949451965 /nfs/dbraw/zinc/45/19/65/949451965.db2.gz FUYZZKDLLQFPTN-LBPRGKRZSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574468135 949456181 /nfs/dbraw/zinc/45/61/81/949456181.db2.gz LIROQHNKPMVOKU-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574468135 949456197 /nfs/dbraw/zinc/45/61/97/949456197.db2.gz LIROQHNKPMVOKU-LLVKDONJSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@](CNC(=O)Cn1ccnc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574947906 949456736 /nfs/dbraw/zinc/45/67/36/949456736.db2.gz FSFALRNRIZRHGM-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@](CNC(=O)Cn1ccnc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574947906 949456752 /nfs/dbraw/zinc/45/67/52/949456752.db2.gz FSFALRNRIZRHGM-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM CC1(C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCC1 ZINC001575535954 949457866 /nfs/dbraw/zinc/45/78/66/949457866.db2.gz CGWLQZWXZNYKSM-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCC1 ZINC001575535954 949457877 /nfs/dbraw/zinc/45/78/77/949457877.db2.gz CGWLQZWXZNYKSM-GOSISDBHSA-N -1 3 387.444 0.468 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001574468551 949463034 /nfs/dbraw/zinc/46/30/34/949463034.db2.gz PKOFWSJWSPHZFQ-PHIMTYICSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001574468551 949463053 /nfs/dbraw/zinc/46/30/53/949463053.db2.gz PKOFWSJWSPHZFQ-PHIMTYICSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)C1CC1 ZINC001573804077 949463937 /nfs/dbraw/zinc/46/39/37/949463937.db2.gz SCKWNJKNZKJVOT-CYBMUJFWSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)C1CC1 ZINC001573804077 949463957 /nfs/dbraw/zinc/46/39/57/949463957.db2.gz SCKWNJKNZKJVOT-CYBMUJFWSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)n1ncc(C(=O)NCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1Cl ZINC001574468572 949466259 /nfs/dbraw/zinc/46/62/59/949466259.db2.gz QDCNKOOAHRTTKP-UHFFFAOYSA-N -1 3 391.823 0.785 20 0 GCADHM CC(C)n1ncc(C(=O)NCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1Cl ZINC001574468572 949466272 /nfs/dbraw/zinc/46/62/72/949466272.db2.gz QDCNKOOAHRTTKP-UHFFFAOYSA-N -1 3 391.823 0.785 20 0 GCADHM C[C@@](CNC(=O)Cn1ccnc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574948522 949467828 /nfs/dbraw/zinc/46/78/28/949467828.db2.gz KVZADIDSDALUSC-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@@](CNC(=O)Cn1ccnc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574948522 949467842 /nfs/dbraw/zinc/46/78/42/949467842.db2.gz KVZADIDSDALUSC-KRWDZBQOSA-N -1 3 383.416 0.106 20 0 GCADHM C[C@]1(C(=O)N2CCC(Nc3ncccc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575536357 949469261 /nfs/dbraw/zinc/46/92/61/949469261.db2.gz HSCCKGYVHVPURA-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC(Nc3ncccc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575536357 949469278 /nfs/dbraw/zinc/46/92/78/949469278.db2.gz HSCCKGYVHVPURA-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)(C)C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001573804622 949471797 /nfs/dbraw/zinc/47/17/97/949471797.db2.gz YJPOPLYICBFKRI-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C)C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001573804622 949471811 /nfs/dbraw/zinc/47/18/11/949471811.db2.gz YJPOPLYICBFKRI-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573804640 949475332 /nfs/dbraw/zinc/47/53/32/949475332.db2.gz YTVYSTBBIXULCH-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573804640 949475350 /nfs/dbraw/zinc/47/53/50/949475350.db2.gz YTVYSTBBIXULCH-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@H](CNC(=O)Cn1cccn1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949037 949480138 /nfs/dbraw/zinc/48/01/38/949480138.db2.gz PTICLLNZEJTYGC-JTQLQIEISA-N -1 3 375.824 0.753 20 0 GCADHM C[C@@H](CNC(=O)Cn1cccn1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949037 949480156 /nfs/dbraw/zinc/48/01/56/949480156.db2.gz PTICLLNZEJTYGC-JTQLQIEISA-N -1 3 375.824 0.753 20 0 GCADHM CC1(C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOCC1 ZINC001575536918 949480518 /nfs/dbraw/zinc/48/05/18/949480518.db2.gz OXCLCFKSUYBTCS-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOCC1 ZINC001575536918 949480534 /nfs/dbraw/zinc/48/05/34/949480534.db2.gz OXCLCFKSUYBTCS-UHFFFAOYSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)n1nccc1C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574469791 949481814 /nfs/dbraw/zinc/48/18/14/949481814.db2.gz HBYGYAMJJVXZKK-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1nccc1C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574469791 949481826 /nfs/dbraw/zinc/48/18/26/949481826.db2.gz HBYGYAMJJVXZKK-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575266574 949483130 /nfs/dbraw/zinc/48/31/30/949483130.db2.gz ZPNNTEUQMGXOAK-FZMZJTMJSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575266574 949483146 /nfs/dbraw/zinc/48/31/46/949483146.db2.gz ZPNNTEUQMGXOAK-FZMZJTMJSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574117896 949483588 /nfs/dbraw/zinc/48/35/88/949483588.db2.gz AOEGSACTVFERHA-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574117896 949483596 /nfs/dbraw/zinc/48/35/96/949483596.db2.gz AOEGSACTVFERHA-CYBMUJFWSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573806167 949484581 /nfs/dbraw/zinc/48/45/81/949484581.db2.gz JDZXOGOGKLOPIX-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)(C)C(C)(C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573806167 949484593 /nfs/dbraw/zinc/48/45/93/949484593.db2.gz JDZXOGOGKLOPIX-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575266881 949489510 /nfs/dbraw/zinc/48/95/10/949489510.db2.gz FOPVKKFBAUGMCC-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575266881 949489526 /nfs/dbraw/zinc/48/95/26/949489526.db2.gz FOPVKKFBAUGMCC-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575266878 949489901 /nfs/dbraw/zinc/48/99/01/949489901.db2.gz FOPVKKFBAUGMCC-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575266878 949489916 /nfs/dbraw/zinc/48/99/16/949489916.db2.gz FOPVKKFBAUGMCC-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574949377 949490209 /nfs/dbraw/zinc/49/02/09/949490209.db2.gz VGUMIVNODKLNCN-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574949377 949490217 /nfs/dbraw/zinc/49/02/17/949490217.db2.gz VGUMIVNODKLNCN-LBPRGKRZSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574470156 949491136 /nfs/dbraw/zinc/49/11/36/949491136.db2.gz NULNGPLEZKPEAF-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574470156 949491146 /nfs/dbraw/zinc/49/11/46/949491146.db2.gz NULNGPLEZKPEAF-CYBMUJFWSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccnc1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949402 949493253 /nfs/dbraw/zinc/49/32/53/949493253.db2.gz VRKVNDYCEPKUPB-JTQLQIEISA-N -1 3 375.824 0.976 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccnc1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949402 949493269 /nfs/dbraw/zinc/49/32/69/949493269.db2.gz VRKVNDYCEPKUPB-JTQLQIEISA-N -1 3 375.824 0.976 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575267011 949496355 /nfs/dbraw/zinc/49/63/55/949496355.db2.gz GKRAWOPXLNMLTC-LLVKDONJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CC1CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575267011 949496366 /nfs/dbraw/zinc/49/63/66/949496366.db2.gz GKRAWOPXLNMLTC-LLVKDONJSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574119183 949497568 /nfs/dbraw/zinc/49/75/68/949497568.db2.gz IVPGYAGHYWCVGF-LLVKDONJSA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574119183 949497586 /nfs/dbraw/zinc/49/75/86/949497586.db2.gz IVPGYAGHYWCVGF-LLVKDONJSA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574470418 949498836 /nfs/dbraw/zinc/49/88/36/949498836.db2.gz PUNOOYFJGZMHJD-LLVKDONJSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574470418 949498849 /nfs/dbraw/zinc/49/88/49/949498849.db2.gz PUNOOYFJGZMHJD-LLVKDONJSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574470414 949499868 /nfs/dbraw/zinc/49/98/68/949499868.db2.gz POSVTCGMZDFCRP-LBPRGKRZSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574470414 949499884 /nfs/dbraw/zinc/49/98/84/949499884.db2.gz POSVTCGMZDFCRP-LBPRGKRZSA-N -1 3 384.448 0.619 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575537793 949503111 /nfs/dbraw/zinc/50/31/11/949503111.db2.gz AYOFDDUZQMAYEM-XIKOKIGWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575537793 949503120 /nfs/dbraw/zinc/50/31/20/949503120.db2.gz AYOFDDUZQMAYEM-XIKOKIGWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871090 949504759 /nfs/dbraw/zinc/50/47/59/949504759.db2.gz YRXMBIVLKGFYIB-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871090 949504784 /nfs/dbraw/zinc/50/47/84/949504784.db2.gz YRXMBIVLKGFYIB-YPMHNXCESA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ncccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808168 949508969 /nfs/dbraw/zinc/50/89/69/949508969.db2.gz DDKPBVVPPYYKGL-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ncccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808168 949508987 /nfs/dbraw/zinc/50/89/87/949508987.db2.gz DDKPBVVPPYYKGL-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)n1ncnc1CNC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574470529 949510322 /nfs/dbraw/zinc/51/03/22/949510322.db2.gz DLZFPXKCIDOBRF-AWEZNQCLSA-N -1 3 384.448 0.665 20 0 GCADHM CC(C)n1ncnc1CNC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574470529 949510339 /nfs/dbraw/zinc/51/03/39/949510339.db2.gz DLZFPXKCIDOBRF-AWEZNQCLSA-N -1 3 384.448 0.665 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574120884 949510571 /nfs/dbraw/zinc/51/05/71/949510571.db2.gz OCRLHKFPNHWIJS-LLVKDONJSA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574120884 949510586 /nfs/dbraw/zinc/51/05/86/949510586.db2.gz OCRLHKFPNHWIJS-LLVKDONJSA-N -1 3 392.439 0.870 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574120883 949512268 /nfs/dbraw/zinc/51/22/68/949512268.db2.gz OCJJLNYPLSEASV-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574120883 949512280 /nfs/dbraw/zinc/51/22/80/949512280.db2.gz OCJJLNYPLSEASV-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574470753 949512671 /nfs/dbraw/zinc/51/26/71/949512671.db2.gz GCKIRQCBKWPWLK-PNESKVBLSA-N -1 3 382.432 0.906 20 0 GCADHM C[C@H](CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574470753 949512681 /nfs/dbraw/zinc/51/26/81/949512681.db2.gz GCKIRQCBKWPWLK-PNESKVBLSA-N -1 3 382.432 0.906 20 0 GCADHM CC(C)n1ncnc1CN1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574470738 949514043 /nfs/dbraw/zinc/51/40/43/949514043.db2.gz FWZHVHOILNGQLJ-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574470738 949514057 /nfs/dbraw/zinc/51/40/57/949514057.db2.gz FWZHVHOILNGQLJ-UHFFFAOYSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCCOC1 ZINC001573808399 949514425 /nfs/dbraw/zinc/51/44/25/949514425.db2.gz FXSHHZCPUGQWNF-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCOC1 ZINC001573808399 949514449 /nfs/dbraw/zinc/51/44/49/949514449.db2.gz FXSHHZCPUGQWNF-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574710899 949515169 /nfs/dbraw/zinc/51/51/69/949515169.db2.gz BTWLHBPSWAGGKZ-UWVGGRQHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574710899 949515185 /nfs/dbraw/zinc/51/51/85/949515185.db2.gz BTWLHBPSWAGGKZ-UWVGGRQHSA-N -1 3 376.396 0.186 20 0 GCADHM CC1(C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575538370 949517134 /nfs/dbraw/zinc/51/71/34/949517134.db2.gz GLGJSDYDEVDWMN-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575538370 949517147 /nfs/dbraw/zinc/51/71/47/949517147.db2.gz GLGJSDYDEVDWMN-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574710769 949519104 /nfs/dbraw/zinc/51/91/04/949519104.db2.gz BBTDESKSEODDCO-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574710769 949519123 /nfs/dbraw/zinc/51/91/23/949519123.db2.gz BBTDESKSEODDCO-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574470858 949519713 /nfs/dbraw/zinc/51/97/13/949519713.db2.gz HTTNNMPTLGEJFV-GFCCVEGCSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808662 949521484 /nfs/dbraw/zinc/52/14/84/949521484.db2.gz HVDVDXRFXPGGFZ-OLZOCXBDSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808662 949521503 /nfs/dbraw/zinc/52/15/03/949521503.db2.gz HVDVDXRFXPGGFZ-OLZOCXBDSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574711091 949522065 /nfs/dbraw/zinc/52/20/65/949522065.db2.gz DBGIVYMOESUEOS-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574711091 949522085 /nfs/dbraw/zinc/52/20/85/949522085.db2.gz DBGIVYMOESUEOS-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574471070 949523707 /nfs/dbraw/zinc/52/37/07/949523707.db2.gz ZGHAIOBKCGOMRN-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574471070 949523725 /nfs/dbraw/zinc/52/37/25/949523725.db2.gz ZGHAIOBKCGOMRN-HAQNSBGRSA-N -1 3 383.416 0.663 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccnnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573808988 949526113 /nfs/dbraw/zinc/52/61/13/949526113.db2.gz KHLYWESTSYEVII-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccnnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573808988 949526130 /nfs/dbraw/zinc/52/61/30/949526130.db2.gz KHLYWESTSYEVII-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575538661 949526540 /nfs/dbraw/zinc/52/65/40/949526540.db2.gz IHIGALUGQZVHIK-XIKOKIGWSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575538661 949526555 /nfs/dbraw/zinc/52/65/55/949526555.db2.gz IHIGALUGQZVHIK-XIKOKIGWSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809050 949526698 /nfs/dbraw/zinc/52/66/98/949526698.db2.gz LWMWKEXWZIKLDO-NSHDSACASA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1n[nH]cc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809050 949526713 /nfs/dbraw/zinc/52/67/13/949526713.db2.gz LWMWKEXWZIKLDO-NSHDSACASA-N -1 3 389.395 0.632 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574950123 949530123 /nfs/dbraw/zinc/53/01/23/949530123.db2.gz LDNUWQIKQYEYAP-HZMBPMFUSA-N -1 3 375.408 0.221 20 0 GCADHM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576163315 949532418 /nfs/dbraw/zinc/53/24/18/949532418.db2.gz AFBFKFIPVHYAFK-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCCN(C(=O)CC(C)(C)O)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576163315 949532434 /nfs/dbraw/zinc/53/24/34/949532434.db2.gz AFBFKFIPVHYAFK-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711275 949532793 /nfs/dbraw/zinc/53/27/93/949532793.db2.gz FSNALQWOORGVHA-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711275 949532807 /nfs/dbraw/zinc/53/28/07/949532807.db2.gz FSNALQWOORGVHA-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809223 949533494 /nfs/dbraw/zinc/53/34/94/949533494.db2.gz NIJRVXGAXKHBKR-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)C1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809223 949533511 /nfs/dbraw/zinc/53/35/11/949533511.db2.gz NIJRVXGAXKHBKR-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cnoc1 ZINC001573809173 949534015 /nfs/dbraw/zinc/53/40/15/949534015.db2.gz MIAJQZYKXCCAPV-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cnoc1 ZINC001573809173 949534028 /nfs/dbraw/zinc/53/40/28/949534028.db2.gz MIAJQZYKXCCAPV-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809354 949535460 /nfs/dbraw/zinc/53/54/60/949535460.db2.gz OLJWEJOGBIRDSK-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809354 949535471 /nfs/dbraw/zinc/53/54/71/949535471.db2.gz OLJWEJOGBIRDSK-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nnn[n-]4)nc3)C2)CCOC1 ZINC001575539074 949536415 /nfs/dbraw/zinc/53/64/15/949536415.db2.gz MGCRFAYFLVCUTI-MSOLQXFVSA-N -1 3 387.444 0.454 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[n-]n4)nc3)C2)CCOC1 ZINC001575539074 949536424 /nfs/dbraw/zinc/53/64/24/949536424.db2.gz MGCRFAYFLVCUTI-MSOLQXFVSA-N -1 3 387.444 0.454 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001574950468 949536888 /nfs/dbraw/zinc/53/68/88/949536888.db2.gz PFRPSOGEOQKFCH-JSGCOSHPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001574950468 949536918 /nfs/dbraw/zinc/53/69/18/949536918.db2.gz PFRPSOGEOQKFCH-JSGCOSHPSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575872167 949539190 /nfs/dbraw/zinc/53/91/90/949539190.db2.gz GZLXHRQDGMUXLV-WCBMZHEXSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2CC(F)(F)C2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575872167 949539209 /nfs/dbraw/zinc/53/92/09/949539209.db2.gz GZLXHRQDGMUXLV-WCBMZHEXSA-N -1 3 379.371 0.959 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575872124 949540373 /nfs/dbraw/zinc/54/03/73/949540373.db2.gz GQCMGCOWOWANDF-SMDDNHRTSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2=COCCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575872124 949540395 /nfs/dbraw/zinc/54/03/95/949540395.db2.gz GQCMGCOWOWANDF-SMDDNHRTSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOC1 ZINC001575539132 949542708 /nfs/dbraw/zinc/54/27/08/949542708.db2.gz NCNQLTJIBPEVCS-KZULUSFZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOC1 ZINC001575539132 949542732 /nfs/dbraw/zinc/54/27/32/949542732.db2.gz NCNQLTJIBPEVCS-KZULUSFZSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809459 949543791 /nfs/dbraw/zinc/54/37/91/949543791.db2.gz PXNGOZPXWPNBBF-PCJJGOFDSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809459 949543799 /nfs/dbraw/zinc/54/37/99/949543799.db2.gz PXNGOZPXWPNBBF-PCJJGOFDSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)CC1(O)CCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809471 949544215 /nfs/dbraw/zinc/54/42/15/949544215.db2.gz QFBIHOBKTWOAFG-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)CC1(O)CCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809471 949544229 /nfs/dbraw/zinc/54/42/29/949544229.db2.gz QFBIHOBKTWOAFG-ZDUSSCGKSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1cnoc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809672 949547033 /nfs/dbraw/zinc/54/70/33/949547033.db2.gz SPEOKGDAVOWNKD-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1cnoc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809672 949547045 /nfs/dbraw/zinc/54/70/45/949547045.db2.gz SPEOKGDAVOWNKD-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)n1ncnc1CN[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574472206 949549257 /nfs/dbraw/zinc/54/92/57/949549257.db2.gz RYJJHMLMCKRILH-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809677 949551078 /nfs/dbraw/zinc/55/10/78/949551078.db2.gz SQBLIZHGSJSSIW-SRBZOADZSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809677 949551095 /nfs/dbraw/zinc/55/10/95/949551095.db2.gz SQBLIZHGSJSSIW-SRBZOADZSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576164536 949554658 /nfs/dbraw/zinc/55/46/58/949554658.db2.gz GYQFNGPJFKFRRV-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@H]1OCC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576164536 949554670 /nfs/dbraw/zinc/55/46/70/949554670.db2.gz GYQFNGPJFKFRRV-XHDPSFHLSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576164534 949555850 /nfs/dbraw/zinc/55/58/50/949555850.db2.gz GYQFNGPJFKFRRV-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576164534 949555881 /nfs/dbraw/zinc/55/58/81/949555881.db2.gz GYQFNGPJFKFRRV-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574951325 949556819 /nfs/dbraw/zinc/55/68/19/949556819.db2.gz ZCAQKILRTXEUTR-NHYWBVRUSA-N -1 3 389.435 0.563 20 0 GCADHM C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575269631 949557143 /nfs/dbraw/zinc/55/71/43/949557143.db2.gz VZXFWHNBGDEXRH-PWSUYJOCSA-N -1 3 389.485 0.533 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809935 949557470 /nfs/dbraw/zinc/55/74/70/949557470.db2.gz WPMQZDNNQLAELD-FNFWKMNBSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809935 949557485 /nfs/dbraw/zinc/55/74/85/949557485.db2.gz WPMQZDNNQLAELD-FNFWKMNBSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575872738 949558030 /nfs/dbraw/zinc/55/80/30/949558030.db2.gz LEJHVSQAZFCRMV-NWDGAFQWSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@H](NC(=O)CC2(O)CCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575872738 949558045 /nfs/dbraw/zinc/55/80/45/949558045.db2.gz LEJHVSQAZFCRMV-NWDGAFQWSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711862 949559628 /nfs/dbraw/zinc/55/96/28/949559628.db2.gz NGGAYPQODRCUFP-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCn2cncc2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711862 949559645 /nfs/dbraw/zinc/55/96/45/949559645.db2.gz NGGAYPQODRCUFP-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnsn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573810050 949560845 /nfs/dbraw/zinc/56/08/45/949560845.db2.gz YESBJAAILMVBRU-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cnsn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573810050 949560866 /nfs/dbraw/zinc/56/08/66/949560866.db2.gz YESBJAAILMVBRU-LLVKDONJSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575540129 949561295 /nfs/dbraw/zinc/56/12/95/949561295.db2.gz VFRPGUWMPNRXST-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575540129 949561310 /nfs/dbraw/zinc/56/13/10/949561310.db2.gz VFRPGUWMPNRXST-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573809987 949562425 /nfs/dbraw/zinc/56/24/25/949562425.db2.gz XEOMRQKMMXHCFA-GXFFZTMASA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573809987 949562440 /nfs/dbraw/zinc/56/24/40/949562440.db2.gz XEOMRQKMMXHCFA-GXFFZTMASA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574124090 949565453 /nfs/dbraw/zinc/56/54/53/949565453.db2.gz BKDCYOGDIVMPSA-MRVWCRGKSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574124090 949565466 /nfs/dbraw/zinc/56/54/66/949565466.db2.gz BKDCYOGDIVMPSA-MRVWCRGKSA-N -1 3 386.460 0.716 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccncn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810115 949566091 /nfs/dbraw/zinc/56/60/91/949566091.db2.gz ZGXAWAZWSJSIPF-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccncn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810115 949566107 /nfs/dbraw/zinc/56/61/07/949566107.db2.gz ZGXAWAZWSJSIPF-ZDUSSCGKSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574473277 949566661 /nfs/dbraw/zinc/56/66/61/949566661.db2.gz ZXVFNGRZBVRIKR-RYUDHWBXSA-N -1 3 382.432 0.466 20 0 GCADHM CC(C)n1ncnc1CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574473277 949566680 /nfs/dbraw/zinc/56/66/80/949566680.db2.gz ZXVFNGRZBVRIKR-RYUDHWBXSA-N -1 3 382.432 0.466 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001573810073 949567456 /nfs/dbraw/zinc/56/74/56/949567456.db2.gz YMOHXSRRFAPXTI-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CCOC1 ZINC001573810073 949567476 /nfs/dbraw/zinc/56/74/76/949567476.db2.gz YMOHXSRRFAPXTI-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1csnn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810139 949568127 /nfs/dbraw/zinc/56/81/27/949568127.db2.gz ZSNKTNGQDCZBJE-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1csnn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810139 949568141 /nfs/dbraw/zinc/56/81/41/949568141.db2.gz ZSNKTNGQDCZBJE-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001574475430 949568474 /nfs/dbraw/zinc/56/84/74/949568474.db2.gz AEOOJHZXMKFHAT-JSGCOSHPSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001574475430 949568488 /nfs/dbraw/zinc/56/84/88/949568488.db2.gz AEOOJHZXMKFHAT-JSGCOSHPSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575270078 949571004 /nfs/dbraw/zinc/57/10/04/949571004.db2.gz ASKRKQBXBZJHBS-ZWNOBZJWSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575270078 949571024 /nfs/dbraw/zinc/57/10/24/949571024.db2.gz ASKRKQBXBZJHBS-ZWNOBZJWSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575270075 949573134 /nfs/dbraw/zinc/57/31/34/949573134.db2.gz ASKRKQBXBZJHBS-GWCFXTLKSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575270075 949573152 /nfs/dbraw/zinc/57/31/52/949573152.db2.gz ASKRKQBXBZJHBS-GWCFXTLKSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575270076 949573251 /nfs/dbraw/zinc/57/32/51/949573251.db2.gz ASKRKQBXBZJHBS-GXFFZTMASA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575270076 949573268 /nfs/dbraw/zinc/57/32/68/949573268.db2.gz ASKRKQBXBZJHBS-GXFFZTMASA-N -1 3 379.396 0.290 20 0 GCADHM CC(C)(C)[C@H](CNCc1csnn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810799 949575207 /nfs/dbraw/zinc/57/52/07/949575207.db2.gz CWVMRYYKBKCNMK-LBPRGKRZSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)(C)[C@H](CNCc1csnn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810799 949575217 /nfs/dbraw/zinc/57/52/17/949575217.db2.gz CWVMRYYKBKCNMK-LBPRGKRZSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)(C)[C@H](CNCc1cnsn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810785 949576692 /nfs/dbraw/zinc/57/66/92/949576692.db2.gz CNTIOLBXAQZJFB-LBPRGKRZSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)(C)[C@H](CNCc1cnsn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810785 949576713 /nfs/dbraw/zinc/57/67/13/949576713.db2.gz CNTIOLBXAQZJFB-LBPRGKRZSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@H](NC(=O)CCNC(N)=O)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001575270148 949578094 /nfs/dbraw/zinc/57/80/94/949578094.db2.gz BLZGEDCWYGGXJF-JTQLQIEISA-N -1 3 390.423 0.001 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574475850 949579082 /nfs/dbraw/zinc/57/90/82/949579082.db2.gz COKPXAAZXUPNSP-SNVBAGLBSA-N -1 3 380.478 0.265 20 0 GCADHM CC1(C(=O)N2CCC[C@](CO)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCC1 ZINC001575540898 949579385 /nfs/dbraw/zinc/57/93/85/949579385.db2.gz ZVWHODGYWPQCQO-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CCC[C@](CO)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCC1 ZINC001575540898 949579408 /nfs/dbraw/zinc/57/94/08/949579408.db2.gz ZVWHODGYWPQCQO-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574124749 949580611 /nfs/dbraw/zinc/58/06/11/949580611.db2.gz MEPRARDVHNYFFQ-CQSZACIVSA-N -1 3 386.460 0.448 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574124749 949580623 /nfs/dbraw/zinc/58/06/23/949580623.db2.gz MEPRARDVHNYFFQ-CQSZACIVSA-N -1 3 386.460 0.448 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001573810839 949580986 /nfs/dbraw/zinc/58/09/86/949580986.db2.gz DQOTZTDRDWQYDN-YPMHNXCESA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001573810839 949580994 /nfs/dbraw/zinc/58/09/94/949580994.db2.gz DQOTZTDRDWQYDN-YPMHNXCESA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575873480 949583011 /nfs/dbraw/zinc/58/30/11/949583011.db2.gz PMJZXNSBMJVREM-QWRGUYRKSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CC(C)(C)O)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575873480 949583025 /nfs/dbraw/zinc/58/30/25/949583025.db2.gz PMJZXNSBMJVREM-QWRGUYRKSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574475928 949584326 /nfs/dbraw/zinc/58/43/26/949584326.db2.gz DMRGKSVNJPAZEE-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574475928 949584344 /nfs/dbraw/zinc/58/43/44/949584344.db2.gz DMRGKSVNJPAZEE-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712704 949584440 /nfs/dbraw/zinc/58/44/40/949584440.db2.gz TUGNPFNBNAZZMF-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576166511 949585376 /nfs/dbraw/zinc/58/53/76/949585376.db2.gz MQINVEMZIMEWDQ-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576166511 949585398 /nfs/dbraw/zinc/58/53/98/949585398.db2.gz MQINVEMZIMEWDQ-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574125251 949585675 /nfs/dbraw/zinc/58/56/75/949585675.db2.gz PBZGYPSZJHPOTN-ZIAGYGMSSA-N -1 3 386.460 0.446 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574125251 949585692 /nfs/dbraw/zinc/58/56/92/949585692.db2.gz PBZGYPSZJHPOTN-ZIAGYGMSSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574712720 949585640 /nfs/dbraw/zinc/58/56/40/949585640.db2.gz TZXWILZLGJETIK-QWRGUYRKSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574712720 949585654 /nfs/dbraw/zinc/58/56/54/949585654.db2.gz TZXWILZLGJETIK-QWRGUYRKSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574712759 949589585 /nfs/dbraw/zinc/58/95/85/949589585.db2.gz UGGNAXNZGFFQNX-MNOVXSKESA-N -1 3 382.432 0.444 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574476121 949589765 /nfs/dbraw/zinc/58/97/65/949589765.db2.gz AIWAZNQDBCZCGY-CQSZACIVSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574476121 949589778 /nfs/dbraw/zinc/58/97/78/949589778.db2.gz AIWAZNQDBCZCGY-CQSZACIVSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001575270446 949589929 /nfs/dbraw/zinc/58/99/29/949589929.db2.gz ZTDXWBMMAQDCGT-WDEREUQCSA-N -1 3 375.408 0.602 20 0 GCADHM C[C@H](NC(=O)CC(N)=O)[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001575270446 949589950 /nfs/dbraw/zinc/58/99/50/949589950.db2.gz ZTDXWBMMAQDCGT-WDEREUQCSA-N -1 3 375.408 0.602 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574125542 949591875 /nfs/dbraw/zinc/59/18/75/949591875.db2.gz SJEHIETUYHOKJH-JXQTWKCFSA-N -1 3 386.460 0.811 20 0 GCADHM CC(C)C[C@H](C(N)=O)C(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574125542 949591891 /nfs/dbraw/zinc/59/18/91/949591891.db2.gz SJEHIETUYHOKJH-JXQTWKCFSA-N -1 3 386.460 0.811 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574476282 949594949 /nfs/dbraw/zinc/59/49/49/949594949.db2.gz FUUIBCPWFRZRKP-VHSXEESVSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574476282 949594959 /nfs/dbraw/zinc/59/49/59/949594959.db2.gz FUUIBCPWFRZRKP-VHSXEESVSA-N -1 3 378.412 0.712 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CNC(=O)C1CC1 ZINC001573811603 949603335 /nfs/dbraw/zinc/60/33/35/949603335.db2.gz MJQJKYNCLCVOOZ-CYBMUJFWSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CNC(=O)C1CC1 ZINC001573811603 949603348 /nfs/dbraw/zinc/60/33/48/949603348.db2.gz MJQJKYNCLCVOOZ-CYBMUJFWSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574713445 949603544 /nfs/dbraw/zinc/60/35/44/949603544.db2.gz XNMBQMNLPXJLGO-QWRGUYRKSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](C)(CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574476518 949607020 /nfs/dbraw/zinc/60/70/20/949607020.db2.gz DNLNTRHEBSHDNA-DIFFPNOSSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](C)(CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574476518 949607028 /nfs/dbraw/zinc/60/70/28/949607028.db2.gz DNLNTRHEBSHDNA-DIFFPNOSSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574476582 949607227 /nfs/dbraw/zinc/60/72/27/949607227.db2.gz IHIGHBGJSDLLTL-SNVBAGLBSA-N -1 3 390.423 0.095 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574476582 949607238 /nfs/dbraw/zinc/60/72/38/949607238.db2.gz IHIGHBGJSDLLTL-SNVBAGLBSA-N -1 3 390.423 0.095 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575874351 949608874 /nfs/dbraw/zinc/60/88/74/949608874.db2.gz GAOILVDFRANCIW-GWCFXTLKSA-N -1 3 390.423 0.530 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575874351 949608890 /nfs/dbraw/zinc/60/88/90/949608890.db2.gz GAOILVDFRANCIW-GWCFXTLKSA-N -1 3 390.423 0.530 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574476615 949612152 /nfs/dbraw/zinc/61/21/52/949612152.db2.gz FCXROTVHDTUGHA-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574476615 949612167 /nfs/dbraw/zinc/61/21/67/949612167.db2.gz FCXROTVHDTUGHA-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574476619 949612398 /nfs/dbraw/zinc/61/23/98/949612398.db2.gz FFVFHNNUDYYNRJ-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574476619 949612411 /nfs/dbraw/zinc/61/24/11/949612411.db2.gz FFVFHNNUDYYNRJ-LLVKDONJSA-N -1 3 383.416 0.231 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CS(C)(=O)=O ZINC001573812087 949613765 /nfs/dbraw/zinc/61/37/65/949613765.db2.gz QCROIISWHZCKKU-LLVKDONJSA-N -1 3 381.462 0.249 20 0 GCADHM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575271138 949614637 /nfs/dbraw/zinc/61/46/37/949614637.db2.gz IRKCFQHPVVBCGB-QWRGUYRKSA-N -1 3 392.439 0.964 20 0 GCADHM C[C@H](NC(=O)CCCC(=O)N(C)C)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575271138 949614647 /nfs/dbraw/zinc/61/46/47/949614647.db2.gz IRKCFQHPVVBCGB-QWRGUYRKSA-N -1 3 392.439 0.964 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574713916 949617290 /nfs/dbraw/zinc/61/72/90/949617290.db2.gz ZLFZOFIABIOOOQ-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCc2cncn2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574713916 949617312 /nfs/dbraw/zinc/61/73/12/949617312.db2.gz ZLFZOFIABIOOOQ-STQMWFEESA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)CCOC1 ZINC001575546870 949617433 /nfs/dbraw/zinc/61/74/33/949617433.db2.gz SGUCHLSRRVMLJQ-QGZVFWFLSA-N -1 3 375.408 0.866 20 0 GCADHM C[C@@]1(C(=O)N2CCCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)CCOC1 ZINC001575546870 949617447 /nfs/dbraw/zinc/61/74/47/949617447.db2.gz SGUCHLSRRVMLJQ-QGZVFWFLSA-N -1 3 375.408 0.866 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576167658 949618215 /nfs/dbraw/zinc/61/82/15/949618215.db2.gz DICYRGPMJJVZLQ-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576167658 949618229 /nfs/dbraw/zinc/61/82/29/949618229.db2.gz DICYRGPMJJVZLQ-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576167877 949618302 /nfs/dbraw/zinc/61/83/02/949618302.db2.gz AAJRNSGLYHYUEZ-BXUZGUMPSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574476793 949619384 /nfs/dbraw/zinc/61/93/84/949619384.db2.gz KGRMDVNEZKCTBP-IUCAKERBSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574476793 949619401 /nfs/dbraw/zinc/61/94/01/949619401.db2.gz KGRMDVNEZKCTBP-IUCAKERBSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574476794 949620827 /nfs/dbraw/zinc/62/08/27/949620827.db2.gz KGRMDVNEZKCTBP-RKDXNWHRSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574476794 949620845 /nfs/dbraw/zinc/62/08/45/949620845.db2.gz KGRMDVNEZKCTBP-RKDXNWHRSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)n1ccnc1 ZINC001574476749 949621127 /nfs/dbraw/zinc/62/11/27/949621127.db2.gz JJYMQQUQSPDCNM-GXTWGEPZSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)n1ccnc1 ZINC001574476749 949621137 /nfs/dbraw/zinc/62/11/37/949621137.db2.gz JJYMQQUQSPDCNM-GXTWGEPZSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575874833 949624243 /nfs/dbraw/zinc/62/42/43/949624243.db2.gz HGTPJTNFDDDYPC-DGCLKSJQSA-N -1 3 382.432 0.486 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2c[nH]cn2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575874833 949624247 /nfs/dbraw/zinc/62/42/47/949624247.db2.gz HGTPJTNFDDDYPC-DGCLKSJQSA-N -1 3 382.432 0.486 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]n2)[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001576168031 949625029 /nfs/dbraw/zinc/62/50/29/949625029.db2.gz BGHRSCNGEGQMSP-TVQRCGJNSA-N -1 3 386.395 0.872 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575875237 949626804 /nfs/dbraw/zinc/62/68/04/949626804.db2.gz HQDVUYPKHLYVNC-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCOCC2CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575875237 949626818 /nfs/dbraw/zinc/62/68/18/949626818.db2.gz HQDVUYPKHLYVNC-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575271831 949626914 /nfs/dbraw/zinc/62/69/14/949626914.db2.gz MTBVXZNYDMCXCB-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575271831 949626929 /nfs/dbraw/zinc/62/69/29/949626929.db2.gz MTBVXZNYDMCXCB-VXGBXAGGSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001576168021 949627452 /nfs/dbraw/zinc/62/74/52/949627452.db2.gz SAJDOMRUFOXKFH-CHWSQXEVSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001576168021 949627468 /nfs/dbraw/zinc/62/74/68/949627468.db2.gz SAJDOMRUFOXKFH-CHWSQXEVSA-N -1 3 386.460 0.779 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574128674 949627773 /nfs/dbraw/zinc/62/77/73/949627773.db2.gz OOINRXWTLDLSGT-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574128674 949627793 /nfs/dbraw/zinc/62/77/93/949627793.db2.gz OOINRXWTLDLSGT-UHFFFAOYSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ncccc1-c1nnn[n-]1 ZINC001574957724 949628202 /nfs/dbraw/zinc/62/82/02/949628202.db2.gz GSIPWDOLJNUHSU-UKTARXLSSA-N -1 3 387.444 0.477 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ncccc1-c1nn[n-]n1 ZINC001574957724 949628213 /nfs/dbraw/zinc/62/82/13/949628213.db2.gz GSIPWDOLJNUHSU-UKTARXLSSA-N -1 3 387.444 0.477 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ncccc1-c1nnn[n-]1 ZINC001574957723 949628824 /nfs/dbraw/zinc/62/88/24/949628824.db2.gz GSIPWDOLJNUHSU-PWNZVWSESA-N -1 3 387.444 0.477 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)CNc1ncccc1-c1nn[n-]n1 ZINC001574957723 949628834 /nfs/dbraw/zinc/62/88/34/949628834.db2.gz GSIPWDOLJNUHSU-PWNZVWSESA-N -1 3 387.444 0.477 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574476922 949630062 /nfs/dbraw/zinc/63/00/62/949630062.db2.gz LXWSQOCYMOKSCX-NHYWBVRUSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574476922 949630074 /nfs/dbraw/zinc/63/00/74/949630074.db2.gz LXWSQOCYMOKSCX-NHYWBVRUSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574128711 949630745 /nfs/dbraw/zinc/63/07/45/949630745.db2.gz PIXQPPSMQKUNGR-CYBMUJFWSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574128711 949630757 /nfs/dbraw/zinc/63/07/57/949630757.db2.gz PIXQPPSMQKUNGR-CYBMUJFWSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575272075 949631262 /nfs/dbraw/zinc/63/12/62/949631262.db2.gz NDZNVAZLWBATDH-YPMHNXCESA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575272075 949631281 /nfs/dbraw/zinc/63/12/81/949631281.db2.gz NDZNVAZLWBATDH-YPMHNXCESA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576168378 949634354 /nfs/dbraw/zinc/63/43/54/949634354.db2.gz GRLDXLVZFOUKKD-DGCLKSJQSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576168378 949634376 /nfs/dbraw/zinc/63/43/76/949634376.db2.gz GRLDXLVZFOUKKD-DGCLKSJQSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1COCCO1 ZINC001573814724 949641812 /nfs/dbraw/zinc/64/18/12/949641812.db2.gz FGJTVMJAKJQPTH-ZIAGYGMSSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1COCCO1 ZINC001573814724 949641826 /nfs/dbraw/zinc/64/18/26/949641826.db2.gz FGJTVMJAKJQPTH-ZIAGYGMSSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1COCCO1 ZINC001573814718 949642286 /nfs/dbraw/zinc/64/22/86/949642286.db2.gz FGJTVMJAKJQPTH-KBPBESRZSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1COCCO1 ZINC001573814718 949642294 /nfs/dbraw/zinc/64/22/94/949642294.db2.gz FGJTVMJAKJQPTH-KBPBESRZSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@@H](NC(=O)CCC1CC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575272352 949642309 /nfs/dbraw/zinc/64/23/09/949642309.db2.gz POYIXJVWWQUTMB-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CCC1CC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575272352 949642322 /nfs/dbraw/zinc/64/23/22/949642322.db2.gz POYIXJVWWQUTMB-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574477223 949644310 /nfs/dbraw/zinc/64/43/10/949644310.db2.gz MBSQUDWUQKUUHF-APPDUMDISA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574477223 949644320 /nfs/dbraw/zinc/64/43/20/949644320.db2.gz MBSQUDWUQKUUHF-APPDUMDISA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@]1(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)c(F)c3)CC2)CCNC1=O ZINC001575547814 949644473 /nfs/dbraw/zinc/64/44/73/949644473.db2.gz LDDDSLXZAATYAF-GOSISDBHSA-N -1 3 387.419 0.176 20 0 GCADHM C[C@@]1(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)c(F)c3)CC2)CCNC1=O ZINC001575547814 949644484 /nfs/dbraw/zinc/64/44/84/949644484.db2.gz LDDDSLXZAATYAF-GOSISDBHSA-N -1 3 387.419 0.176 20 0 GCADHM C[C@H](CC(=O)N1C[C@H](Nc2ncccc2-c2nnn[n-]2)C(C)(C)C1)NC(N)=O ZINC001574477207 949644572 /nfs/dbraw/zinc/64/45/72/949644572.db2.gz LWNCRXIBDWRVAC-PWSUYJOCSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N1C[C@H](Nc2ncccc2-c2nn[n-]n2)C(C)(C)C1)NC(N)=O ZINC001574477207 949644586 /nfs/dbraw/zinc/64/45/86/949644586.db2.gz LWNCRXIBDWRVAC-PWSUYJOCSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575876313 949645324 /nfs/dbraw/zinc/64/53/24/949645324.db2.gz JTYABVWHVOKCEG-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575876313 949645338 /nfs/dbraw/zinc/64/53/38/949645338.db2.gz JTYABVWHVOKCEG-RISCZKNCSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715215 949646317 /nfs/dbraw/zinc/64/63/17/949646317.db2.gz HZBFXMNPAYYEMC-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715215 949646333 /nfs/dbraw/zinc/64/63/33/949646333.db2.gz HZBFXMNPAYYEMC-WCQYABFASA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575876274 949648079 /nfs/dbraw/zinc/64/80/79/949648079.db2.gz JRLIGTZOLDPXBC-IUCAKERBSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575876274 949648094 /nfs/dbraw/zinc/64/80/94/949648094.db2.gz JRLIGTZOLDPXBC-IUCAKERBSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001575272689 949650542 /nfs/dbraw/zinc/65/05/42/949650542.db2.gz RRAMNZFCVONJQR-ZWNOBZJWSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@@H](NC(=O)CCCF)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001575272689 949650560 /nfs/dbraw/zinc/65/05/60/949650560.db2.gz RRAMNZFCVONJQR-ZWNOBZJWSA-N -1 3 379.396 0.290 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574477381 949651553 /nfs/dbraw/zinc/65/15/53/949651553.db2.gz NPCSUABFDGDPFS-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574477381 949651575 /nfs/dbraw/zinc/65/15/75/949651575.db2.gz NPCSUABFDGDPFS-GFCCVEGCSA-N -1 3 382.428 0.930 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574131212 949652724 /nfs/dbraw/zinc/65/27/24/949652724.db2.gz BEXYKNBQTKEWGN-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574131212 949652739 /nfs/dbraw/zinc/65/27/39/949652739.db2.gz BEXYKNBQTKEWGN-LBPRGKRZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575877220 949658766 /nfs/dbraw/zinc/65/87/66/949658766.db2.gz LCKRGWCPSWGZKU-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC2CC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575877220 949658776 /nfs/dbraw/zinc/65/87/76/949658776.db2.gz LCKRGWCPSWGZKU-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@]1(C(=O)N2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)CCCOC1 ZINC001575548234 949663778 /nfs/dbraw/zinc/66/37/78/949663778.db2.gz UWTFGEYAXCWOLR-KRWDZBQOSA-N -1 3 375.408 0.866 20 0 GCADHM C[C@]1(C(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)CCCOC1 ZINC001575548234 949663797 /nfs/dbraw/zinc/66/37/97/949663797.db2.gz UWTFGEYAXCWOLR-KRWDZBQOSA-N -1 3 375.408 0.866 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574958330 949663968 /nfs/dbraw/zinc/66/39/68/949663968.db2.gz IYIXRGGCNOJEIK-MRVWCRGKSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574958330 949663985 /nfs/dbraw/zinc/66/39/85/949663985.db2.gz IYIXRGGCNOJEIK-MRVWCRGKSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001574477570 949664518 /nfs/dbraw/zinc/66/45/18/949664518.db2.gz SETNYVAXLOJCPZ-WFASDCNBSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ncccc1-c1nnn[n-]1 ZINC001574958361 949664659 /nfs/dbraw/zinc/66/46/59/949664659.db2.gz JEVPOLUIFNWGDN-IACUBPJLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CNc1ncccc1-c1nn[n-]n1 ZINC001574958361 949664676 /nfs/dbraw/zinc/66/46/76/949664676.db2.gz JEVPOLUIFNWGDN-IACUBPJLSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](CN(C)C(=O)CC1OCCCO1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574715716 949664498 /nfs/dbraw/zinc/66/44/98/949664498.db2.gz FOZWSLBKFZIGTA-JTQLQIEISA-N -1 3 379.396 0.813 20 0 GCADHM C[C@@H](CN(C)C(=O)CC1OCCCO1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574715716 949664520 /nfs/dbraw/zinc/66/45/20/949664520.db2.gz FOZWSLBKFZIGTA-JTQLQIEISA-N -1 3 379.396 0.813 20 0 GCADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001574477570 949664534 /nfs/dbraw/zinc/66/45/34/949664534.db2.gz SETNYVAXLOJCPZ-WFASDCNBSA-N -1 3 389.460 0.930 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001574131769 949664611 /nfs/dbraw/zinc/66/46/11/949664611.db2.gz JVDHDMRMKHFGBE-ZIAGYGMSSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001574131769 949664627 /nfs/dbraw/zinc/66/46/27/949664627.db2.gz JVDHDMRMKHFGBE-ZIAGYGMSSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)C1 ZINC001576169166 949666936 /nfs/dbraw/zinc/66/69/36/949666936.db2.gz FSPLFYLUSRGYOR-NSHDSACASA-N -1 3 398.514 0.996 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ncccc1-c1nnn[n-]1 ZINC001574958367 949667294 /nfs/dbraw/zinc/66/72/94/949667294.db2.gz PRQQJSLXTDPDPP-MNOVXSKESA-N -1 3 384.400 0.590 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ncccc1-c1nn[n-]n1 ZINC001574958367 949667306 /nfs/dbraw/zinc/66/73/06/949667306.db2.gz PRQQJSLXTDPDPP-MNOVXSKESA-N -1 3 384.400 0.590 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574477668 949669339 /nfs/dbraw/zinc/66/93/39/949669339.db2.gz UEKDQOWOTZZAEF-LLVKDONJSA-N -1 3 392.439 0.343 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575877777 949671158 /nfs/dbraw/zinc/67/11/58/949671158.db2.gz MYQJJBCNZYGAQA-DGCLKSJQSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575877777 949671172 /nfs/dbraw/zinc/67/11/72/949671172.db2.gz MYQJJBCNZYGAQA-DGCLKSJQSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@]1(C(=O)N2CCO[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575548374 949672360 /nfs/dbraw/zinc/67/23/60/949672360.db2.gz YQJZFVBPUMBOEA-SJKOYZFVSA-N -1 3 391.407 0.467 20 0 GCADHM C[C@@]1(C(=O)N2CCO[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575548374 949672372 /nfs/dbraw/zinc/67/23/72/949672372.db2.gz YQJZFVBPUMBOEA-SJKOYZFVSA-N -1 3 391.407 0.467 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169263 949672898 /nfs/dbraw/zinc/67/28/98/949672898.db2.gz GBVPKYMSNFDNID-CMPLNLGQSA-N -1 3 383.420 0.057 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CS(C)(=O)=O)CCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001575878145 949673203 /nfs/dbraw/zinc/67/32/03/949673203.db2.gz NMKXMAKAKWIJGJ-DOMZBBRYSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574132033 949673724 /nfs/dbraw/zinc/67/37/24/949673724.db2.gz PCCOJHKGJPSZMY-OLZOCXBDSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574132033 949673735 /nfs/dbraw/zinc/67/37/35/949673735.db2.gz PCCOJHKGJPSZMY-OLZOCXBDSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574132028 949675683 /nfs/dbraw/zinc/67/56/83/949675683.db2.gz OYJFDJAEGVNKHK-SGTLLEGYSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574132028 949675696 /nfs/dbraw/zinc/67/56/96/949675696.db2.gz OYJFDJAEGVNKHK-SGTLLEGYSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574132144 949680631 /nfs/dbraw/zinc/68/06/31/949680631.db2.gz RBZGIULILQETNO-LLVKDONJSA-N -1 3 375.433 0.180 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574132144 949680643 /nfs/dbraw/zinc/68/06/43/949680643.db2.gz RBZGIULILQETNO-LLVKDONJSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575878764 949680786 /nfs/dbraw/zinc/68/07/86/949680786.db2.gz OXTMOGRYISQPBO-SMDDNHRTSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575878764 949680801 /nfs/dbraw/zinc/68/08/01/949680801.db2.gz OXTMOGRYISQPBO-SMDDNHRTSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576169476 949681977 /nfs/dbraw/zinc/68/19/77/949681977.db2.gz YAUWTIHOBCFDKL-GFCCVEGCSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576169476 949681988 /nfs/dbraw/zinc/68/19/88/949681988.db2.gz YAUWTIHOBCFDKL-GFCCVEGCSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575552687 949682959 /nfs/dbraw/zinc/68/29/59/949682959.db2.gz HRVQZQGZNFKWQE-MEDUHNTESA-N -1 3 391.457 0.242 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575552687 949682981 /nfs/dbraw/zinc/68/29/81/949682981.db2.gz HRVQZQGZNFKWQE-MEDUHNTESA-N -1 3 391.457 0.242 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575879343 949686061 /nfs/dbraw/zinc/68/60/61/949686061.db2.gz QIGLKXCDUAEVNW-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575879343 949686072 /nfs/dbraw/zinc/68/60/72/949686072.db2.gz QIGLKXCDUAEVNW-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576169721 949687793 /nfs/dbraw/zinc/68/77/93/949687793.db2.gz HXHGGGVNQCXYQU-PWSUYJOCSA-N -1 3 383.420 0.057 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576169721 949687804 /nfs/dbraw/zinc/68/78/04/949687804.db2.gz HXHGGGVNQCXYQU-PWSUYJOCSA-N -1 3 383.420 0.057 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573816914 949687731 /nfs/dbraw/zinc/68/77/31/949687731.db2.gz VLZKYZKDUZGSCJ-FZMZJTMJSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573816914 949687741 /nfs/dbraw/zinc/68/77/41/949687741.db2.gz VLZKYZKDUZGSCJ-FZMZJTMJSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001576169686 949688340 /nfs/dbraw/zinc/68/83/40/949688340.db2.gz HSRCOUGTPNSFPN-STQMWFEESA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001576169686 949688366 /nfs/dbraw/zinc/68/83/66/949688366.db2.gz HSRCOUGTPNSFPN-STQMWFEESA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575879685 949689175 /nfs/dbraw/zinc/68/91/75/949689175.db2.gz REQNTPPUMRELCG-FZMZJTMJSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575879685 949689190 /nfs/dbraw/zinc/68/91/90/949689190.db2.gz REQNTPPUMRELCG-FZMZJTMJSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574716319 949689925 /nfs/dbraw/zinc/68/99/25/949689925.db2.gz JGKILEOPOCJVFY-WDEREUQCSA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574716319 949689945 /nfs/dbraw/zinc/68/99/45/949689945.db2.gz JGKILEOPOCJVFY-WDEREUQCSA-N -1 3 390.423 0.528 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CCNC(N)=O ZINC001573816966 949691519 /nfs/dbraw/zinc/69/15/19/949691519.db2.gz WMLDQNIZIWJEQL-LBPRGKRZSA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CCNC(N)=O ZINC001573816966 949691530 /nfs/dbraw/zinc/69/15/30/949691530.db2.gz WMLDQNIZIWJEQL-LBPRGKRZSA-N -1 3 375.437 0.263 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575880189 949693251 /nfs/dbraw/zinc/69/32/51/949693251.db2.gz SBFRKKAFCIIKTR-ZFWWWQNUSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575880189 949693265 /nfs/dbraw/zinc/69/32/65/949693265.db2.gz SBFRKKAFCIIKTR-ZFWWWQNUSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)CCOC1 ZINC001575553713 949693692 /nfs/dbraw/zinc/69/36/92/949693692.db2.gz OZMLQNQHSJXBSI-FVMIAERFSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)CCOC1 ZINC001575553713 949693703 /nfs/dbraw/zinc/69/37/03/949693703.db2.gz OZMLQNQHSJXBSI-FVMIAERFSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574716446 949693851 /nfs/dbraw/zinc/69/38/51/949693851.db2.gz OQRAFDDDKDQPOV-QWRGUYRKSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574716446 949693861 /nfs/dbraw/zinc/69/38/61/949693861.db2.gz OQRAFDDDKDQPOV-QWRGUYRKSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574478093 949694336 /nfs/dbraw/zinc/69/43/36/949694336.db2.gz XPECKRCPRZDSMH-TZMCWYRMSA-N -1 3 385.432 0.341 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574478093 949694349 /nfs/dbraw/zinc/69/43/49/949694349.db2.gz XPECKRCPRZDSMH-TZMCWYRMSA-N -1 3 385.432 0.341 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnc[nH]c1=O ZINC001573817096 949694463 /nfs/dbraw/zinc/69/44/63/949694463.db2.gz XBJWEAZKNVGOTO-LLVKDONJSA-N -1 3 384.404 0.409 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575880215 949699005 /nfs/dbraw/zinc/69/90/05/949699005.db2.gz SJJJIQBFRKYTBH-OLZOCXBDSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575880215 949699026 /nfs/dbraw/zinc/69/90/26/949699026.db2.gz SJJJIQBFRKYTBH-OLZOCXBDSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1ccncc1 ZINC001575275469 949698967 /nfs/dbraw/zinc/69/89/67/949698967.db2.gz DEYCHBZYEBTJLE-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1ccncc1 ZINC001575275469 949698998 /nfs/dbraw/zinc/69/89/98/949698998.db2.gz DEYCHBZYEBTJLE-NWDGAFQWSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575880214 949699554 /nfs/dbraw/zinc/69/95/54/949699554.db2.gz SJJJIQBFRKYTBH-CHWSQXEVSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575880214 949699575 /nfs/dbraw/zinc/69/95/75/949699575.db2.gz SJJJIQBFRKYTBH-CHWSQXEVSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC(F)F)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575880204 949699713 /nfs/dbraw/zinc/69/97/13/949699713.db2.gz SFGIGAJOUWRCQJ-WCBMZHEXSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H]1[C@H](NC(=O)COCC(F)F)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575880204 949699732 /nfs/dbraw/zinc/69/97/32/949699732.db2.gz SFGIGAJOUWRCQJ-WCBMZHEXSA-N -1 3 383.359 0.196 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CNC(=O)C1CC1 ZINC001573817171 949700071 /nfs/dbraw/zinc/70/00/71/949700071.db2.gz YHIKZYCJTYOYLD-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CNC(=O)C1CC1 ZINC001573817171 949700079 /nfs/dbraw/zinc/70/00/79/949700079.db2.gz YHIKZYCJTYOYLD-AWEZNQCLSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716601 949700127 /nfs/dbraw/zinc/70/01/27/949700127.db2.gz KZTZPHORSSUVKO-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@@H]1CCOC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716601 949700115 /nfs/dbraw/zinc/70/01/15/949700115.db2.gz KZTZPHORSSUVKO-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575555143 949701500 /nfs/dbraw/zinc/70/15/00/949701500.db2.gz WIGLJMKBLOJZFD-LRDDRELGSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575555143 949701514 /nfs/dbraw/zinc/70/15/14/949701514.db2.gz WIGLJMKBLOJZFD-LRDDRELGSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575275915 949705399 /nfs/dbraw/zinc/70/53/99/949705399.db2.gz FUHKLOYIUFSMBK-VHSXEESVSA-N -1 3 384.437 0.746 20 0 GCADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575275915 949705415 /nfs/dbraw/zinc/70/54/15/949705415.db2.gz FUHKLOYIUFSMBK-VHSXEESVSA-N -1 3 384.437 0.746 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574478466 949708615 /nfs/dbraw/zinc/70/86/15/949708615.db2.gz XZRIQCCLIHFVTP-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H](CC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574478466 949708627 /nfs/dbraw/zinc/70/86/27/949708627.db2.gz XZRIQCCLIHFVTP-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)CCOC1 ZINC001575557200 949710200 /nfs/dbraw/zinc/71/02/00/949710200.db2.gz DBHJLYWUDXVWNN-MCTLKSGKSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)CCOC1 ZINC001575557200 949710219 /nfs/dbraw/zinc/71/02/19/949710219.db2.gz DBHJLYWUDXVWNN-MCTLKSGKSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276136 949710985 /nfs/dbraw/zinc/71/09/85/949710985.db2.gz GVRQCMSLMAZYCX-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)CCc1nccn1C)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276136 949710996 /nfs/dbraw/zinc/71/09/96/949710996.db2.gz GVRQCMSLMAZYCX-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CN(C)C2CCC2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575881275 949711614 /nfs/dbraw/zinc/71/16/14/949711614.db2.gz XAMBGHSCNXUBMM-TZMCWYRMSA-N -1 3 385.476 0.615 20 0 GCADHM CC1(C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCC1 ZINC001575557277 949715731 /nfs/dbraw/zinc/71/57/31/949715731.db2.gz GDXLRKNWUUWJKM-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NC2(CCO)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCC1 ZINC001575557277 949715749 /nfs/dbraw/zinc/71/57/49/949715749.db2.gz GDXLRKNWUUWJKM-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576170486 949719235 /nfs/dbraw/zinc/71/92/35/949719235.db2.gz LGPQUIUDQCCEBI-DOMZBBRYSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCCC(N)=O)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576170486 949719246 /nfs/dbraw/zinc/71/92/46/949719246.db2.gz LGPQUIUDQCCEBI-DOMZBBRYSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H](NC(=O)CCc1cncnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276492 949720004 /nfs/dbraw/zinc/72/00/04/949720004.db2.gz JUBDYHUAWLLNMY-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](NC(=O)CCc1cncnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276492 949720017 /nfs/dbraw/zinc/72/00/17/949720017.db2.gz JUBDYHUAWLLNMY-MNOVXSKESA-N -1 3 383.416 0.241 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574959846 949720846 /nfs/dbraw/zinc/72/08/46/949720846.db2.gz VESNYZTVESMFKY-TUKIKUTGSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574959846 949720867 /nfs/dbraw/zinc/72/08/67/949720867.db2.gz VESNYZTVESMFKY-TUKIKUTGSA-N -1 3 381.444 0.963 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ncccc1-c1nnn[n-]1 ZINC001574717007 949723823 /nfs/dbraw/zinc/72/38/23/949723823.db2.gz NPKUKTPPPFGSGD-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ncccc1-c1nn[n-]n1 ZINC001574717007 949723847 /nfs/dbraw/zinc/72/38/47/949723847.db2.gz NPKUKTPPPFGSGD-SGTLLEGYSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575881541 949725546 /nfs/dbraw/zinc/72/55/46/949725546.db2.gz YXIZXIUIHXYVKC-GXTWGEPZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575881541 949725564 /nfs/dbraw/zinc/72/55/64/949725564.db2.gz YXIZXIUIHXYVKC-GXTWGEPZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CCN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]3C2)CCOC1 ZINC001575557638 949726867 /nfs/dbraw/zinc/72/68/67/949726867.db2.gz KCYUHYYLJJXOHQ-VCBZYWHSSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@]1(C(=O)N2C[C@H]3CCN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)CCOC1 ZINC001575557638 949726883 /nfs/dbraw/zinc/72/68/83/949726883.db2.gz KCYUHYYLJJXOHQ-VCBZYWHSSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576170724 949732623 /nfs/dbraw/zinc/73/26/23/949732623.db2.gz NQVSZQMZYRUDKN-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576170724 949732634 /nfs/dbraw/zinc/73/26/34/949732634.db2.gz NQVSZQMZYRUDKN-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574479305 949733096 /nfs/dbraw/zinc/73/30/96/949733096.db2.gz DNVJOHYRUULNNG-VHSXEESVSA-N -1 3 391.411 0.108 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574479305 949733113 /nfs/dbraw/zinc/73/31/13/949733113.db2.gz DNVJOHYRUULNNG-VHSXEESVSA-N -1 3 391.411 0.108 20 0 GCADHM CC(C)N(C)C(=O)CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001575881770 949734064 /nfs/dbraw/zinc/73/40/64/949734064.db2.gz AQQKIMLEUOXSBN-OCCSQVGLSA-N -1 3 388.476 0.644 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574135729 949735047 /nfs/dbraw/zinc/73/50/47/949735047.db2.gz MALNSUXJGHKBSF-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574135729 949735062 /nfs/dbraw/zinc/73/50/62/949735062.db2.gz MALNSUXJGHKBSF-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnc1 ZINC001575881848 949737959 /nfs/dbraw/zinc/73/79/59/949737959.db2.gz CDRNHCAMSXOAAR-AAEUAGOBSA-N -1 3 383.416 0.201 20 0 GCADHM CC1(C(=O)N[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCOCC1 ZINC001575558405 949738286 /nfs/dbraw/zinc/73/82/86/949738286.db2.gz PBYWZHBUVWRHPD-AWEZNQCLSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCOCC1 ZINC001575558405 949738306 /nfs/dbraw/zinc/73/83/06/949738306.db2.gz PBYWZHBUVWRHPD-AWEZNQCLSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCOCC1 ZINC001575558407 949738354 /nfs/dbraw/zinc/73/83/54/949738354.db2.gz PBYWZHBUVWRHPD-CQSZACIVSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)N[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCOCC1 ZINC001575558407 949738379 /nfs/dbraw/zinc/73/83/79/949738379.db2.gz PBYWZHBUVWRHPD-CQSZACIVSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574962843 949738411 /nfs/dbraw/zinc/73/84/11/949738411.db2.gz CTZPTLONIVSQMH-XHDPSFHLSA-N -1 3 389.435 0.563 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574962843 949738428 /nfs/dbraw/zinc/73/84/28/949738428.db2.gz CTZPTLONIVSQMH-XHDPSFHLSA-N -1 3 389.435 0.563 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574135802 949740441 /nfs/dbraw/zinc/74/04/41/949740441.db2.gz MXLFTJQGVBQCGT-KCPJHIHWSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574135802 949740454 /nfs/dbraw/zinc/74/04/54/949740454.db2.gz MXLFTJQGVBQCGT-KCPJHIHWSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576170991 949743465 /nfs/dbraw/zinc/74/34/65/949743465.db2.gz OMKYRVAIHCQDMX-OCCSQVGLSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1csnn1 ZINC001575881997 949745676 /nfs/dbraw/zinc/74/56/76/949745676.db2.gz FBSQAPQIWQSWAD-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1csnn1 ZINC001575881997 949745697 /nfs/dbraw/zinc/74/56/97/949745697.db2.gz FBSQAPQIWQSWAD-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cncnc1 ZINC001575881989 949745860 /nfs/dbraw/zinc/74/58/60/949745860.db2.gz FAJSJBAXXZEIFV-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cncnc1 ZINC001575881989 949745872 /nfs/dbraw/zinc/74/58/72/949745872.db2.gz FAJSJBAXXZEIFV-GXFFZTMASA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cnn(C)c1 ZINC001575882053 949749630 /nfs/dbraw/zinc/74/96/30/949749630.db2.gz FVFFLURLIOHALI-GXFFZTMASA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cnn(C)c1 ZINC001575882053 949749639 /nfs/dbraw/zinc/74/96/39/949749639.db2.gz FVFFLURLIOHALI-GXFFZTMASA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574963259 949750633 /nfs/dbraw/zinc/75/06/33/949750633.db2.gz HJLYBSWVDYFFLW-BBBLOLIVSA-N -1 3 392.851 0.733 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574963259 949750653 /nfs/dbraw/zinc/75/06/53/949750653.db2.gz HJLYBSWVDYFFLW-BBBLOLIVSA-N -1 3 392.851 0.733 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575882097 949752156 /nfs/dbraw/zinc/75/21/56/949752156.db2.gz GDIUXVTUDDVNDL-GXFFZTMASA-N -1 3 385.407 0.840 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575882097 949752173 /nfs/dbraw/zinc/75/21/73/949752173.db2.gz GDIUXVTUDDVNDL-GXFFZTMASA-N -1 3 385.407 0.840 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576171210 949758675 /nfs/dbraw/zinc/75/86/75/949758675.db2.gz PLIYDBXNGRXCQJ-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576171210 949758692 /nfs/dbraw/zinc/75/86/92/949758692.db2.gz PLIYDBXNGRXCQJ-HZMBPMFUSA-N -1 3 383.416 0.589 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574137362 949758661 /nfs/dbraw/zinc/75/86/61/949758661.db2.gz STXMMSYTYHXFPZ-GFCCVEGCSA-N -1 3 377.449 0.428 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574137362 949758677 /nfs/dbraw/zinc/75/86/77/949758677.db2.gz STXMMSYTYHXFPZ-GFCCVEGCSA-N -1 3 377.449 0.428 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576171424 949761043 /nfs/dbraw/zinc/76/10/43/949761043.db2.gz QDCVKWZRUWJCJR-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576171424 949761055 /nfs/dbraw/zinc/76/10/55/949761055.db2.gz QDCVKWZRUWJCJR-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574964077 949765362 /nfs/dbraw/zinc/76/53/62/949765362.db2.gz PKIQDURMFTZBOL-AXFHLTTASA-N -1 3 375.408 0.824 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574964077 949765372 /nfs/dbraw/zinc/76/53/72/949765372.db2.gz PKIQDURMFTZBOL-AXFHLTTASA-N -1 3 375.408 0.824 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575882319 949766219 /nfs/dbraw/zinc/76/62/19/949766219.db2.gz IQWDVJRMGINUAI-PYISLEMLSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882319 949766245 /nfs/dbraw/zinc/76/62/45/949766245.db2.gz IQWDVJRMGINUAI-PYISLEMLSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](NC(=O)CCc1ccco1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575278184 949766711 /nfs/dbraw/zinc/76/67/11/949766711.db2.gz UDDUOJOJINSWIY-NSHDSACASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](NC(=O)CCc1ccco1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575278184 949766731 /nfs/dbraw/zinc/76/67/31/949766731.db2.gz UDDUOJOJINSWIY-NSHDSACASA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CC(=O)NC(C)(C)C ZINC001575882307 949767320 /nfs/dbraw/zinc/76/73/20/949767320.db2.gz INVGFKRPBVDEGA-YPMHNXCESA-N -1 3 388.476 0.692 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574137741 949767796 /nfs/dbraw/zinc/76/77/96/949767796.db2.gz XBEAPLTYUSSHAL-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574137741 949767815 /nfs/dbraw/zinc/76/78/15/949767815.db2.gz XBEAPLTYUSSHAL-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575882316 949769968 /nfs/dbraw/zinc/76/99/68/949769968.db2.gz IQWDVJRMGINUAI-APACUCGBSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H]1[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575882316 949769987 /nfs/dbraw/zinc/76/99/87/949769987.db2.gz IQWDVJRMGINUAI-APACUCGBSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C2CC2)CCC(=O)NC1 ZINC001575559951 949773229 /nfs/dbraw/zinc/77/32/29/949773229.db2.gz ZQDLUZCOQZKLFD-FZKQIMNGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C2CC2)CCC(=O)NC1 ZINC001575559951 949773247 /nfs/dbraw/zinc/77/32/47/949773247.db2.gz ZQDLUZCOQZKLFD-FZKQIMNGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCOC1 ZINC001575559955 949773416 /nfs/dbraw/zinc/77/34/16/949773416.db2.gz ZTVMTLONFFYUKJ-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCOC1 ZINC001575559955 949773440 /nfs/dbraw/zinc/77/34/40/949773440.db2.gz ZTVMTLONFFYUKJ-KDOFPFPSSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574137830 949774488 /nfs/dbraw/zinc/77/44/88/949774488.db2.gz YAHPTSJOORDERD-VXGBXAGGSA-N -1 3 377.449 0.426 20 0 GCADHM CC(C)C[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574137830 949774496 /nfs/dbraw/zinc/77/44/96/949774496.db2.gz YAHPTSJOORDERD-VXGBXAGGSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574964410 949775055 /nfs/dbraw/zinc/77/50/55/949775055.db2.gz WASDJOLWTJCKEK-GXFFZTMASA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574964410 949775069 /nfs/dbraw/zinc/77/50/69/949775069.db2.gz WASDJOLWTJCKEK-GXFFZTMASA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001576171779 949780241 /nfs/dbraw/zinc/78/02/41/949780241.db2.gz SDKFHLBJDHGENZ-ZDUSSCGKSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001576171779 949780255 /nfs/dbraw/zinc/78/02/55/949780255.db2.gz SDKFHLBJDHGENZ-ZDUSSCGKSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575560178 949781132 /nfs/dbraw/zinc/78/11/32/949781132.db2.gz LVFPEWBWOLFGOV-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575560178 949781162 /nfs/dbraw/zinc/78/11/62/949781162.db2.gz LVFPEWBWOLFGOV-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574964510 949783063 /nfs/dbraw/zinc/78/30/63/949783063.db2.gz XLJQOVMFZKJPLT-LDYMZIIASA-N -1 3 378.824 0.453 20 0 GCADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574964510 949783087 /nfs/dbraw/zinc/78/30/87/949783087.db2.gz XLJQOVMFZKJPLT-LDYMZIIASA-N -1 3 378.824 0.453 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574718525 949785865 /nfs/dbraw/zinc/78/58/65/949785865.db2.gz YNCXCWMIPICRNK-NXEZZACHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574718525 949785879 /nfs/dbraw/zinc/78/58/79/949785879.db2.gz YNCXCWMIPICRNK-NXEZZACHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574964845 949786021 /nfs/dbraw/zinc/78/60/21/949786021.db2.gz ASSBKDMBAUQUJM-ABKXIKBNSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574964845 949786036 /nfs/dbraw/zinc/78/60/36/949786036.db2.gz ASSBKDMBAUQUJM-ABKXIKBNSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481672 949793516 /nfs/dbraw/zinc/79/35/16/949793516.db2.gz TWSVCHCOBQQAQZ-GHMZBOCLSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481672 949793533 /nfs/dbraw/zinc/79/35/33/949793533.db2.gz TWSVCHCOBQQAQZ-GHMZBOCLSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@H](NC(=O)COCC1CC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575280909 949793974 /nfs/dbraw/zinc/79/39/74/949793974.db2.gz BONNCXZTKOXNHN-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)COCC1CC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575280909 949793986 /nfs/dbraw/zinc/79/39/86/949793986.db2.gz BONNCXZTKOXNHN-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576172138 949795696 /nfs/dbraw/zinc/79/56/96/949795696.db2.gz VOOLMGJHXQGHOU-WCQYABFASA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575883031 949797730 /nfs/dbraw/zinc/79/77/30/949797730.db2.gz PDFUGMYODFHQMZ-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575883031 949797747 /nfs/dbraw/zinc/79/77/47/949797747.db2.gz PDFUGMYODFHQMZ-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1cnnn1 ZINC001573822589 949798316 /nfs/dbraw/zinc/79/83/16/949798316.db2.gz KGWHJCVNEGLLDX-GFCCVEGCSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1cnnn1 ZINC001573822589 949798337 /nfs/dbraw/zinc/79/83/37/949798337.db2.gz KGWHJCVNEGLLDX-GFCCVEGCSA-N -1 3 385.436 0.281 20 0 GCADHM C[C@@]1(C(=O)NC2(CCO)CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)CCOC1 ZINC001575561030 949799560 /nfs/dbraw/zinc/79/95/60/949799560.db2.gz XQIKBLPIYVEMMF-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@@]1(C(=O)NC2(CCO)CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CCOC1 ZINC001575561030 949799573 /nfs/dbraw/zinc/79/95/73/949799573.db2.gz XQIKBLPIYVEMMF-GOSISDBHSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574965502 949801592 /nfs/dbraw/zinc/80/15/92/949801592.db2.gz GPHWJTNGHVCRSX-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574965502 949801609 /nfs/dbraw/zinc/80/16/09/949801609.db2.gz GPHWJTNGHVCRSX-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)COc1cccnc1 ZINC001575281162 949802893 /nfs/dbraw/zinc/80/28/93/949802893.db2.gz DIGFCYBMCKAJBS-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)COc1cccnc1 ZINC001575281162 949802908 /nfs/dbraw/zinc/80/29/08/949802908.db2.gz DIGFCYBMCKAJBS-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CNC(=O)N1 ZINC001573822630 949803463 /nfs/dbraw/zinc/80/34/63/949803463.db2.gz LEBOWEXQILGORD-GHMZBOCLSA-N -1 3 391.411 0.025 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CNC(=O)N1 ZINC001573822630 949803484 /nfs/dbraw/zinc/80/34/84/949803484.db2.gz LEBOWEXQILGORD-GHMZBOCLSA-N -1 3 391.411 0.025 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281180 949805023 /nfs/dbraw/zinc/80/50/23/949805023.db2.gz DNVPWUTYMUMJCU-JTQLQIEISA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281180 949805054 /nfs/dbraw/zinc/80/50/54/949805054.db2.gz DNVPWUTYMUMJCU-JTQLQIEISA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(Cl)no1 ZINC001575883117 949805407 /nfs/dbraw/zinc/80/54/07/949805407.db2.gz CQZATLKYHGFMDV-IONNQARKSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(Cl)no1 ZINC001575883117 949805425 /nfs/dbraw/zinc/80/54/25/949805425.db2.gz CQZATLKYHGFMDV-IONNQARKSA-N -1 3 390.791 0.869 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573822822 949808911 /nfs/dbraw/zinc/80/89/11/949808911.db2.gz NQWPPZALKNXION-YPMHNXCESA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574481890 949808745 /nfs/dbraw/zinc/80/87/45/949808745.db2.gz XDJHPXLVBFYFGE-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574481890 949808768 /nfs/dbraw/zinc/80/87/68/949808768.db2.gz XDJHPXLVBFYFGE-GXTWGEPZSA-N -1 3 382.428 0.978 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001573822822 949808931 /nfs/dbraw/zinc/80/89/31/949808931.db2.gz NQWPPZALKNXION-YPMHNXCESA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574481902 949809927 /nfs/dbraw/zinc/80/99/27/949809927.db2.gz XHYFESAZCNLGHF-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574481902 949809949 /nfs/dbraw/zinc/80/99/49/949809949.db2.gz XHYFESAZCNLGHF-NEPJUHHUSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576172600 949810690 /nfs/dbraw/zinc/81/06/90/949810690.db2.gz XVHMJQSGCQZRCB-GXTWGEPZSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@H]1CCCN(C(=O)CCCC(N)=O)[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576172600 949810717 /nfs/dbraw/zinc/81/07/17/949810717.db2.gz XVHMJQSGCQZRCB-GXTWGEPZSA-N -1 3 386.460 0.956 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cccn1C ZINC001575883220 949810874 /nfs/dbraw/zinc/81/08/74/949810874.db2.gz PXYDOCIOWQCLFP-YPMHNXCESA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cccn1C ZINC001575883220 949810887 /nfs/dbraw/zinc/81/08/87/949810887.db2.gz PXYDOCIOWQCLFP-YPMHNXCESA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574965746 949811146 /nfs/dbraw/zinc/81/11/46/949811146.db2.gz KWOJNDRIKXAWQR-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1c(C2CC2)cnn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574965746 949811169 /nfs/dbraw/zinc/81/11/69/949811169.db2.gz KWOJNDRIKXAWQR-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574965739 949812413 /nfs/dbraw/zinc/81/24/13/949812413.db2.gz KOSSNSHGOQXZFE-FVMDXXJSSA-N -1 3 376.396 0.234 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574965739 949812436 /nfs/dbraw/zinc/81/24/36/949812436.db2.gz KOSSNSHGOQXZFE-FVMDXXJSSA-N -1 3 376.396 0.234 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1ccnn1 ZINC001573822993 949813786 /nfs/dbraw/zinc/81/37/86/949813786.db2.gz PEMNWSIFKDADAB-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1ccnn1 ZINC001573822993 949813810 /nfs/dbraw/zinc/81/38/10/949813810.db2.gz PEMNWSIFKDADAB-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COCC(F)F ZINC001575883370 949813811 /nfs/dbraw/zinc/81/38/11/949813811.db2.gz FBRRLEUUCHPRGK-WPRPVWTQSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COCC(F)F ZINC001575883370 949813831 /nfs/dbraw/zinc/81/38/31/949813831.db2.gz FBRRLEUUCHPRGK-WPRPVWTQSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccn(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721435 949816132 /nfs/dbraw/zinc/81/61/32/949816132.db2.gz LJTDRXRNSKUFLH-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccn(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721435 949816154 /nfs/dbraw/zinc/81/61/54/949816154.db2.gz LJTDRXRNSKUFLH-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CS(C)(=O)=O ZINC001573823217 949819764 /nfs/dbraw/zinc/81/97/64/949819764.db2.gz RQUNVIZKGAGYKC-LLVKDONJSA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CS(C)(=O)=O ZINC001573823217 949819791 /nfs/dbraw/zinc/81/97/91/949819791.db2.gz RQUNVIZKGAGYKC-LLVKDONJSA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CS(C)(=O)=O ZINC001573823218 949822034 /nfs/dbraw/zinc/82/20/34/949822034.db2.gz RQUNVIZKGAGYKC-NSHDSACASA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CS(C)(=O)=O ZINC001573823218 949822056 /nfs/dbraw/zinc/82/20/56/949822056.db2.gz RQUNVIZKGAGYKC-NSHDSACASA-N -1 3 381.462 0.249 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCNC1=O ZINC001575562279 949822442 /nfs/dbraw/zinc/82/24/42/949822442.db2.gz FHWBGNDCXAYVSA-PIGZYNQJSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCNC1=O ZINC001575562279 949822459 /nfs/dbraw/zinc/82/24/59/949822459.db2.gz FHWBGNDCXAYVSA-PIGZYNQJSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)CC(C)(C)O ZINC001575883671 949823097 /nfs/dbraw/zinc/82/30/97/949823097.db2.gz SCWHWXCPMRXKFE-PWSUYJOCSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)CC(C)(C)O ZINC001575883671 949823118 /nfs/dbraw/zinc/82/31/18/949823118.db2.gz SCWHWXCPMRXKFE-PWSUYJOCSA-N -1 3 375.433 0.465 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575883699 949825852 /nfs/dbraw/zinc/82/58/52/949825852.db2.gz SNBVLPYPVQMMQV-CABZTGNLSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575883699 949825878 /nfs/dbraw/zinc/82/58/78/949825878.db2.gz SNBVLPYPVQMMQV-CABZTGNLSA-N -1 3 386.441 0.613 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574139921 949826402 /nfs/dbraw/zinc/82/64/02/949826402.db2.gz LLDKXWKZWUKXGU-DGCLKSJQSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574139921 949826413 /nfs/dbraw/zinc/82/64/13/949826413.db2.gz LLDKXWKZWUKXGU-DGCLKSJQSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573823315 949826147 /nfs/dbraw/zinc/82/61/47/949826147.db2.gz USOLBHIJWKPXQC-PWSUYJOCSA-N -1 3 387.448 0.358 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573823315 949826168 /nfs/dbraw/zinc/82/61/68/949826168.db2.gz USOLBHIJWKPXQC-PWSUYJOCSA-N -1 3 387.448 0.358 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574483573 949827139 /nfs/dbraw/zinc/82/71/39/949827139.db2.gz DILRVMYYYMQDBE-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574483573 949827158 /nfs/dbraw/zinc/82/71/58/949827158.db2.gz DILRVMYYYMQDBE-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575883701 949827547 /nfs/dbraw/zinc/82/75/47/949827547.db2.gz SNBVLPYPVQMMQV-SKDRFNHKSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575883701 949827568 /nfs/dbraw/zinc/82/75/68/949827568.db2.gz SNBVLPYPVQMMQV-SKDRFNHKSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCCOC1 ZINC001575562512 949827767 /nfs/dbraw/zinc/82/77/67/949827767.db2.gz GRKDHEXCPVQGRB-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCCOC1 ZINC001575562512 949827792 /nfs/dbraw/zinc/82/77/92/949827792.db2.gz GRKDHEXCPVQGRB-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574965997 949828972 /nfs/dbraw/zinc/82/89/72/949828972.db2.gz RFQPFEWOBBGPSU-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574965997 949828993 /nfs/dbraw/zinc/82/89/93/949828993.db2.gz RFQPFEWOBBGPSU-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)c1cnco1 ZINC001576172946 949829796 /nfs/dbraw/zinc/82/97/96/949829796.db2.gz ZTTNSUWFNAXWSO-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1cnco1 ZINC001576172946 949829819 /nfs/dbraw/zinc/82/98/19/949829819.db2.gz ZTTNSUWFNAXWSO-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@H]1CCNC1=O ZINC001573823424 949830423 /nfs/dbraw/zinc/83/04/23/949830423.db2.gz WOLGUUAQDWVNOF-YPMHNXCESA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@H]1CCNC1=O ZINC001573823424 949830448 /nfs/dbraw/zinc/83/04/48/949830448.db2.gz WOLGUUAQDWVNOF-YPMHNXCESA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574483666 949830704 /nfs/dbraw/zinc/83/07/04/949830704.db2.gz HWUKYWIPUPRRHA-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574483666 949830730 /nfs/dbraw/zinc/83/07/30/949830730.db2.gz HWUKYWIPUPRRHA-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576173083 949832295 /nfs/dbraw/zinc/83/22/95/949832295.db2.gz WSVAIPKCHXCKFF-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576173083 949832320 /nfs/dbraw/zinc/83/23/20/949832320.db2.gz WSVAIPKCHXCKFF-QWHCGFSZSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574483667 949832596 /nfs/dbraw/zinc/83/25/96/949832596.db2.gz HWUKYWIPUPRRHA-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574483667 949832614 /nfs/dbraw/zinc/83/26/14/949832614.db2.gz HWUKYWIPUPRRHA-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576173081 949833523 /nfs/dbraw/zinc/83/35/23/949833523.db2.gz WSVAIPKCHXCKFF-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCCC[C@H]1C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576173081 949833548 /nfs/dbraw/zinc/83/35/48/949833548.db2.gz WSVAIPKCHXCKFF-CHWSQXEVSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574483616 949834182 /nfs/dbraw/zinc/83/41/82/949834182.db2.gz FVQVXYUTYMTSHA-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574483616 949834211 /nfs/dbraw/zinc/83/42/11/949834211.db2.gz FVQVXYUTYMTSHA-DGCLKSJQSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1ncccn1 ZINC001575883936 949834251 /nfs/dbraw/zinc/83/42/51/949834251.db2.gz SXCMNTIWYBBONL-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1ncccn1 ZINC001575883936 949834274 /nfs/dbraw/zinc/83/42/74/949834274.db2.gz SXCMNTIWYBBONL-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001574483690 949836089 /nfs/dbraw/zinc/83/60/89/949836089.db2.gz IONWTIPYEXGCOC-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001574483690 949836115 /nfs/dbraw/zinc/83/61/15/949836115.db2.gz IONWTIPYEXGCOC-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574722671 949839134 /nfs/dbraw/zinc/83/91/34/949839134.db2.gz VHMNNQTXWQCULZ-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccncc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574722671 949839150 /nfs/dbraw/zinc/83/91/50/949839150.db2.gz VHMNNQTXWQCULZ-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1ccnc1 ZINC001574483742 949840028 /nfs/dbraw/zinc/84/00/28/949840028.db2.gz KPUHPSLLNQRDDH-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1ccnc1 ZINC001574483872 949841629 /nfs/dbraw/zinc/84/16/29/949841629.db2.gz OAVRHAJBJMIRFU-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](CC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1ccnc1 ZINC001574483872 949841654 /nfs/dbraw/zinc/84/16/54/949841654.db2.gz OAVRHAJBJMIRFU-LBPRGKRZSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@@H](CC(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574483848 949844587 /nfs/dbraw/zinc/84/45/87/949844587.db2.gz MGIUGBOXHJMZRB-NSHDSACASA-N -1 3 390.423 0.097 20 0 GCADHM C[C@@H](CC(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574483848 949844610 /nfs/dbraw/zinc/84/46/10/949844610.db2.gz MGIUGBOXHJMZRB-NSHDSACASA-N -1 3 390.423 0.097 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001574483767 949844727 /nfs/dbraw/zinc/84/47/27/949844727.db2.gz LRKUXGFKJOWSJQ-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573824032 949844872 /nfs/dbraw/zinc/84/48/72/949844872.db2.gz CGDFCOIJKUPLSI-LBPRGKRZSA-N -1 3 387.448 0.405 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573824032 949844887 /nfs/dbraw/zinc/84/48/87/949844887.db2.gz CGDFCOIJKUPLSI-LBPRGKRZSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H](CC(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001574483767 949844752 /nfs/dbraw/zinc/84/47/52/949844752.db2.gz LRKUXGFKJOWSJQ-CYBMUJFWSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575282697 949845277 /nfs/dbraw/zinc/84/52/77/949845277.db2.gz LTLWFXAFMQJJKC-NEPJUHHUSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)COCc1nccn1C ZINC001575282697 949845297 /nfs/dbraw/zinc/84/52/97/949845297.db2.gz LTLWFXAFMQJJKC-NEPJUHHUSA-N -1 3 385.432 0.517 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574966397 949847811 /nfs/dbraw/zinc/84/78/11/949847811.db2.gz YKACGONXKBMZBB-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574966397 949847830 /nfs/dbraw/zinc/84/78/30/949847830.db2.gz YKACGONXKBMZBB-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccn(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574723054 949848874 /nfs/dbraw/zinc/84/88/74/949848874.db2.gz ZQZXENWIUFRWRO-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1ccn(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574723054 949848901 /nfs/dbraw/zinc/84/89/01/949848901.db2.gz ZQZXENWIUFRWRO-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573823904 949849209 /nfs/dbraw/zinc/84/92/09/949849209.db2.gz BDIASHQEPPGXAE-MCIGGMRASA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C1CC(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573823904 949849228 /nfs/dbraw/zinc/84/92/28/949849228.db2.gz BDIASHQEPPGXAE-MCIGGMRASA-N -1 3 389.460 0.474 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2cncn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575884680 949851479 /nfs/dbraw/zinc/85/14/79/949851479.db2.gz VJVWHKHFWMICKP-GXFFZTMASA-N -1 3 386.395 0.166 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cn2cncn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575884680 949851497 /nfs/dbraw/zinc/85/14/97/949851497.db2.gz VJVWHKHFWMICKP-GXFFZTMASA-N -1 3 386.395 0.166 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575884756 949851668 /nfs/dbraw/zinc/85/16/68/949851668.db2.gz VVASWEINPZERRF-PWSUYJOCSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575884756 949851695 /nfs/dbraw/zinc/85/16/95/949851695.db2.gz VVASWEINPZERRF-PWSUYJOCSA-N -1 3 386.395 0.166 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575283097 949853672 /nfs/dbraw/zinc/85/36/72/949853672.db2.gz NKGRQHNIRNPIMG-MNOVXSKESA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575283008 949854273 /nfs/dbraw/zinc/85/42/73/949854273.db2.gz DRQSBASNASEWDZ-ZMZPIMSZSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283008 949854291 /nfs/dbraw/zinc/85/42/91/949854291.db2.gz DRQSBASNASEWDZ-ZMZPIMSZSA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NCCCNc1ncccc1-c1nnn[n-]1 ZINC001573824985 949855896 /nfs/dbraw/zinc/85/58/96/949855896.db2.gz JZJLEXROKWBKAM-LLVKDONJSA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NCCCNc1ncccc1-c1nn[n-]n1 ZINC001573824985 949855915 /nfs/dbraw/zinc/85/59/15/949855915.db2.gz JZJLEXROKWBKAM-LLVKDONJSA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001574142170 949858067 /nfs/dbraw/zinc/85/80/67/949858067.db2.gz WTWRBCKBUZKHGX-KCPJHIHWSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001574142170 949858086 /nfs/dbraw/zinc/85/80/86/949858086.db2.gz WTWRBCKBUZKHGX-KCPJHIHWSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574484099 949858983 /nfs/dbraw/zinc/85/89/83/949858983.db2.gz VCBGFDZODYQTAV-JTQLQIEISA-N -1 3 376.396 0.101 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574484099 949859005 /nfs/dbraw/zinc/85/90/05/949859005.db2.gz VCBGFDZODYQTAV-JTQLQIEISA-N -1 3 376.396 0.101 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575885000 949859300 /nfs/dbraw/zinc/85/93/00/949859300.db2.gz JTFQOFRDGTYNDY-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCn1ccnc1 ZINC001575885000 949859324 /nfs/dbraw/zinc/85/93/24/949859324.db2.gz JTFQOFRDGTYNDY-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574142120 949861549 /nfs/dbraw/zinc/86/15/49/949861549.db2.gz WKMGTOJIAKGPQR-CHWSQXEVSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574142120 949861576 /nfs/dbraw/zinc/86/15/76/949861576.db2.gz WKMGTOJIAKGPQR-CHWSQXEVSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574142139 949864399 /nfs/dbraw/zinc/86/43/99/949864399.db2.gz WKMGTOJIAKGPQR-STQMWFEESA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574142139 949864425 /nfs/dbraw/zinc/86/44/25/949864425.db2.gz WKMGTOJIAKGPQR-STQMWFEESA-N -1 3 391.476 0.816 20 0 GCADHM CC1CCN(C(=O)C(=O)NC2CN(Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001576177917 949865211 /nfs/dbraw/zinc/86/52/11/949865211.db2.gz DLWBDPVUPQBZRQ-UHFFFAOYSA-N -1 3 383.456 0.426 20 0 GCADHM CC1CCN(C(=O)C(=O)NC2CN(Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001576177917 949865232 /nfs/dbraw/zinc/86/52/32/949865232.db2.gz DLWBDPVUPQBZRQ-UHFFFAOYSA-N -1 3 383.456 0.426 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575283357 949866202 /nfs/dbraw/zinc/86/62/02/949866202.db2.gz FSKZRYSOPQLMJU-WCQYABFASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575283357 949866227 /nfs/dbraw/zinc/86/62/27/949866227.db2.gz FSKZRYSOPQLMJU-WCQYABFASA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574484144 949865929 /nfs/dbraw/zinc/86/59/29/949865929.db2.gz CVALCTPSSIINPS-VXGBXAGGSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574484144 949865955 /nfs/dbraw/zinc/86/59/55/949865955.db2.gz CVALCTPSSIINPS-VXGBXAGGSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574724246 949866239 /nfs/dbraw/zinc/86/62/39/949866239.db2.gz FMYLGFGSSAJHDM-CYBMUJFWSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574724246 949866258 /nfs/dbraw/zinc/86/62/58/949866258.db2.gz FMYLGFGSSAJHDM-CYBMUJFWSA-N -1 3 382.428 0.773 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573825210 949866257 /nfs/dbraw/zinc/86/62/57/949866257.db2.gz MXUCIKUKEIKCBT-CQSZACIVSA-N -1 3 386.460 0.250 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573825210 949866283 /nfs/dbraw/zinc/86/62/83/949866283.db2.gz MXUCIKUKEIKCBT-CQSZACIVSA-N -1 3 386.460 0.250 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1csc(=O)[nH]1 ZINC001574967319 949869047 /nfs/dbraw/zinc/86/90/47/949869047.db2.gz HEZPWIBMXGPHAZ-ZETCQYMHSA-N -1 3 376.402 0.153 20 0 GCADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575283405 949869264 /nfs/dbraw/zinc/86/92/64/949869264.db2.gz FZYOGJMBAJDZFM-ZJUUUORDSA-N -1 3 391.411 0.121 20 0 GCADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575283405 949869286 /nfs/dbraw/zinc/86/92/86/949869286.db2.gz FZYOGJMBAJDZFM-ZJUUUORDSA-N -1 3 391.411 0.121 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001574967601 949869991 /nfs/dbraw/zinc/86/99/91/949869991.db2.gz IDWBGNJGRNLMMZ-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C[C@H]1CCOC1)C1CC1 ZINC001574967601 949870015 /nfs/dbraw/zinc/87/00/15/949870015.db2.gz IDWBGNJGRNLMMZ-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](NC(=O)COCC(F)F)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575283426 949870361 /nfs/dbraw/zinc/87/03/61/949870361.db2.gz OUMFJYWEBWJFJH-MRVPVSSYSA-N -1 3 383.359 0.053 20 0 GCADHM C[C@@H](NC(=O)COCC(F)F)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575283426 949870384 /nfs/dbraw/zinc/87/03/84/949870384.db2.gz OUMFJYWEBWJFJH-MRVPVSSYSA-N -1 3 383.359 0.053 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575283404 949871042 /nfs/dbraw/zinc/87/10/42/949871042.db2.gz ORVLIYUKNHMIIF-VXGBXAGGSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575283404 949871060 /nfs/dbraw/zinc/87/10/60/949871060.db2.gz ORVLIYUKNHMIIF-VXGBXAGGSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576177959 949871526 /nfs/dbraw/zinc/87/15/26/949871526.db2.gz AENJELLPSVXJKX-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576177959 949871548 /nfs/dbraw/zinc/87/15/48/949871548.db2.gz AENJELLPSVXJKX-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576177964 949872196 /nfs/dbraw/zinc/87/21/96/949872196.db2.gz AENJELLPSVXJKX-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576177964 949872212 /nfs/dbraw/zinc/87/22/12/949872212.db2.gz AENJELLPSVXJKX-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1ccn(C)n1 ZINC001575885869 949874477 /nfs/dbraw/zinc/87/44/77/949874477.db2.gz LTGMUSGTYFLCQH-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1ccn(C)n1 ZINC001575885869 949874507 /nfs/dbraw/zinc/87/45/07/949874507.db2.gz LTGMUSGTYFLCQH-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574724701 949875736 /nfs/dbraw/zinc/87/57/36/949875736.db2.gz JMGLHRVSPXKISS-ZDUSSCGKSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574724701 949875769 /nfs/dbraw/zinc/87/57/69/949875769.db2.gz JMGLHRVSPXKISS-ZDUSSCGKSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CC1CCOCC1 ZINC001575886254 949875955 /nfs/dbraw/zinc/87/59/55/949875955.db2.gz XQYQACMGADSMEX-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CC1CCOCC1 ZINC001575886254 949875976 /nfs/dbraw/zinc/87/59/76/949875976.db2.gz XQYQACMGADSMEX-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575885808 949876018 /nfs/dbraw/zinc/87/60/18/949876018.db2.gz LKNDRBVEXIAGAY-CMPLNLGQSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575885808 949876038 /nfs/dbraw/zinc/87/60/38/949876038.db2.gz LKNDRBVEXIAGAY-CMPLNLGQSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574724677 949876188 /nfs/dbraw/zinc/87/61/88/949876188.db2.gz IXXJBCHBIFMXOC-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574724677 949876209 /nfs/dbraw/zinc/87/62/09/949876209.db2.gz IXXJBCHBIFMXOC-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575886225 949877859 /nfs/dbraw/zinc/87/78/59/949877859.db2.gz XODWXVNLAVJOCS-PWSUYJOCSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575886225 949877885 /nfs/dbraw/zinc/87/78/85/949877885.db2.gz XODWXVNLAVJOCS-PWSUYJOCSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)c1cnn(C)c1 ZINC001574484334 949878025 /nfs/dbraw/zinc/87/80/25/949878025.db2.gz ZQRLDDPBSYHTGS-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)c1cnn(C)c1 ZINC001574484334 949878052 /nfs/dbraw/zinc/87/80/52/949878052.db2.gz ZQRLDDPBSYHTGS-ZDUSSCGKSA-N -1 3 381.444 0.838 20 0 GCADHM CC(C)C[C@H](C)N(C)C(=O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574142770 949880685 /nfs/dbraw/zinc/88/06/85/949880685.db2.gz BQULURBTKOSIDP-LBPRGKRZSA-N -1 3 388.476 0.502 20 0 GCADHM CC(C)C[C@H](C)N(C)C(=O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574142770 949880708 /nfs/dbraw/zinc/88/07/08/949880708.db2.gz BQULURBTKOSIDP-LBPRGKRZSA-N -1 3 388.476 0.502 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575886319 949881463 /nfs/dbraw/zinc/88/14/63/949881463.db2.gz XVJRDQWDJXNPHA-WCQYABFASA-N -1 3 382.432 0.106 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574724891 949885695 /nfs/dbraw/zinc/88/56/95/949885695.db2.gz LCJJTAPBGOSCRU-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574724891 949885713 /nfs/dbraw/zinc/88/57/13/949885713.db2.gz LCJJTAPBGOSCRU-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575886434 949886613 /nfs/dbraw/zinc/88/66/13/949886613.db2.gz YEAYSODDJGVSFX-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575886434 949886632 /nfs/dbraw/zinc/88/66/32/949886632.db2.gz YEAYSODDJGVSFX-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H](NC(=O)COCC(F)F)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575283908 949887048 /nfs/dbraw/zinc/88/70/48/949887048.db2.gz RFECXQJGDXQQRE-QMMMGPOBSA-N -1 3 383.359 0.053 20 0 GCADHM C[C@H](NC(=O)COCC(F)F)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575283908 949887063 /nfs/dbraw/zinc/88/70/63/949887063.db2.gz RFECXQJGDXQQRE-QMMMGPOBSA-N -1 3 383.359 0.053 20 0 GCADHM CC(C)(C)[C@@H]1CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001573825719 949888539 /nfs/dbraw/zinc/88/85/39/949888539.db2.gz BQWYJWUPXUGQCH-ZDUSSCGKSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)(C)[C@@H]1CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001573825719 949888562 /nfs/dbraw/zinc/88/85/62/949888562.db2.gz BQWYJWUPXUGQCH-ZDUSSCGKSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575886987 949895502 /nfs/dbraw/zinc/89/55/02/949895502.db2.gz YFJMMRHPEJKDDE-BXUZGUMPSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)Cc1ccc[nH]1 ZINC001575886987 949895522 /nfs/dbraw/zinc/89/55/22/949895522.db2.gz YFJMMRHPEJKDDE-BXUZGUMPSA-N -1 3 382.428 0.875 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)CCOCC1 ZINC001575568879 949898999 /nfs/dbraw/zinc/89/89/99/949898999.db2.gz CECFIPGBDUDXEM-KGLIPLIRSA-N -1 3 387.444 0.134 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)CCOCC1 ZINC001575568879 949899020 /nfs/dbraw/zinc/89/90/20/949899020.db2.gz CECFIPGBDUDXEM-KGLIPLIRSA-N -1 3 387.444 0.134 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575887208 949901390 /nfs/dbraw/zinc/90/13/90/949901390.db2.gz YLUKJWXFKVINHE-ONGXEEELSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575887208 949901410 /nfs/dbraw/zinc/90/14/10/949901410.db2.gz YLUKJWXFKVINHE-ONGXEEELSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCNC(=O)C1 ZINC001575568925 949901621 /nfs/dbraw/zinc/90/16/21/949901621.db2.gz DLYJDTGYYSKBHA-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCNC(=O)C1 ZINC001575568925 949901642 /nfs/dbraw/zinc/90/16/42/949901642.db2.gz DLYJDTGYYSKBHA-GOSISDBHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574968612 949902544 /nfs/dbraw/zinc/90/25/44/949902544.db2.gz QWNZIUXQRBZGAS-FVMIAERFSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001574968612 949902565 /nfs/dbraw/zinc/90/25/65/949902565.db2.gz QWNZIUXQRBZGAS-FVMIAERFSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)c1csnn1)C1CC1 ZINC001574968567 949902850 /nfs/dbraw/zinc/90/28/50/949902850.db2.gz QBASPCVFVYQWJE-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)c1csnn1)C1CC1 ZINC001574968567 949902869 /nfs/dbraw/zinc/90/28/69/949902869.db2.gz QBASPCVFVYQWJE-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@H](CN(C)C(=O)CN(C)CC(C)(C)C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574725636 949903839 /nfs/dbraw/zinc/90/38/39/949903839.db2.gz UOCJZTPIAFLREY-GFCCVEGCSA-N -1 3 375.481 0.315 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2 ZINC001573826571 949906667 /nfs/dbraw/zinc/90/66/67/949906667.db2.gz HPUHEVGZYQTSFJ-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)CC(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001573826571 949906688 /nfs/dbraw/zinc/90/66/88/949906688.db2.gz HPUHEVGZYQTSFJ-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575569135 949906359 /nfs/dbraw/zinc/90/63/59/949906359.db2.gz GSUAZFXVPNDGMW-FZKQIMNGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576179072 949906687 /nfs/dbraw/zinc/90/66/87/949906687.db2.gz JVKIDRRMQRGJEA-ZWNOBZJWSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576179072 949906699 /nfs/dbraw/zinc/90/66/99/949906699.db2.gz JVKIDRRMQRGJEA-ZWNOBZJWSA-N -1 3 383.420 0.138 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)[C@]1(C)CCOC1 ZINC001575569135 949906389 /nfs/dbraw/zinc/90/63/89/949906389.db2.gz GSUAZFXVPNDGMW-FZKQIMNGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ncccc1-c1nnn[n-]1 ZINC001574725728 949908798 /nfs/dbraw/zinc/90/87/98/949908798.db2.gz CBKOTWVEAYMVQW-GFCCVEGCSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)Nc1ncccc1-c1nn[n-]n1 ZINC001574725728 949908823 /nfs/dbraw/zinc/90/88/23/949908823.db2.gz CBKOTWVEAYMVQW-GFCCVEGCSA-N -1 3 387.448 0.326 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575569134 949909003 /nfs/dbraw/zinc/90/90/03/949909003.db2.gz GSUAZFXVPNDGMW-ACJLOTCBSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575569134 949909020 /nfs/dbraw/zinc/90/90/20/949909020.db2.gz GSUAZFXVPNDGMW-ACJLOTCBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575887754 949909261 /nfs/dbraw/zinc/90/92/61/949909261.db2.gz ZZOOSUKYNPZVQJ-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575887754 949909274 /nfs/dbraw/zinc/90/92/74/949909274.db2.gz ZZOOSUKYNPZVQJ-YPMHNXCESA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575887749 949910146 /nfs/dbraw/zinc/91/01/46/949910146.db2.gz ZZOOSUKYNPZVQJ-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575887749 949910161 /nfs/dbraw/zinc/91/01/61/949910161.db2.gz ZZOOSUKYNPZVQJ-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCC(=O)NC1 ZINC001575569160 949912035 /nfs/dbraw/zinc/91/20/35/949912035.db2.gz HBMORRNRKLAGKD-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCC(=O)NC1 ZINC001575569160 949912050 /nfs/dbraw/zinc/91/20/50/949912050.db2.gz HBMORRNRKLAGKD-SFHVURJKSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(C2CC2)on1 ZINC001574968834 949912630 /nfs/dbraw/zinc/91/26/30/949912630.db2.gz UCEFOGKMDDFISA-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(C2CC2)on1 ZINC001574968834 949912652 /nfs/dbraw/zinc/91/26/52/949912652.db2.gz UCEFOGKMDDFISA-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[nH]n1 ZINC001574968866 949913899 /nfs/dbraw/zinc/91/38/99/949913899.db2.gz UOIVAQAIMASOON-SNVBAGLBSA-N -1 3 385.432 0.837 20 0 GCADHM CC(C)c1cc(C(=O)NC[C@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[nH]n1 ZINC001574968866 949913912 /nfs/dbraw/zinc/91/39/12/949913912.db2.gz UOIVAQAIMASOON-SNVBAGLBSA-N -1 3 385.432 0.837 20 0 GCADHM C[C@@H](CN(C)C(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574725886 949914139 /nfs/dbraw/zinc/91/41/39/949914139.db2.gz VNFAVZJCGLPSLF-JTQLQIEISA-N -1 3 390.423 0.528 20 0 GCADHM C[C@@H](CN(C)C(=O)CN(C)C(=O)C1CC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574725886 949914161 /nfs/dbraw/zinc/91/41/61/949914161.db2.gz VNFAVZJCGLPSLF-JTQLQIEISA-N -1 3 390.423 0.528 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C1=CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574144928 949915659 /nfs/dbraw/zinc/91/56/59/949915659.db2.gz QQBXCIBRTFPIPM-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C1=CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574144928 949915681 /nfs/dbraw/zinc/91/56/81/949915681.db2.gz QQBXCIBRTFPIPM-AWEZNQCLSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(-c2nnn[n-]2)cn1)c1noc(C(F)(F)F)n1 ZINC001575284741 949917490 /nfs/dbraw/zinc/91/74/90/949917490.db2.gz WIFNOGOAKCEZKM-LURJTMIESA-N -1 3 383.294 0.953 20 0 GCADHM C[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cn1)c1noc(C(F)(F)F)n1 ZINC001575284741 949917509 /nfs/dbraw/zinc/91/75/09/949917509.db2.gz WIFNOGOAKCEZKM-LURJTMIESA-N -1 3 383.294 0.953 20 0 GCADHM CC(C)C[C@H](CNC(=O)C1=CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574144929 949919464 /nfs/dbraw/zinc/91/94/64/949919464.db2.gz QQBXCIBRTFPIPM-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM CC(C)C[C@H](CNC(=O)C1=CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574144929 949919479 /nfs/dbraw/zinc/91/94/79/949919479.db2.gz QQBXCIBRTFPIPM-CQSZACIVSA-N -1 3 387.444 0.802 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574485251 949920028 /nfs/dbraw/zinc/92/00/28/949920028.db2.gz VUSUDZJKAHJHEJ-QWRGUYRKSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574485251 949920054 /nfs/dbraw/zinc/92/00/54/949920054.db2.gz VUSUDZJKAHJHEJ-QWRGUYRKSA-N -1 3 390.423 0.856 20 0 GCADHM C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574725989 949920992 /nfs/dbraw/zinc/92/09/92/949920992.db2.gz FEHBRNHWZBPFMT-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CN(C)C(=O)COCc1ccnn1C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574725989 949921017 /nfs/dbraw/zinc/92/10/17/949921017.db2.gz FEHBRNHWZBPFMT-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](NC(=O)CN1CCCC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575284850 949921911 /nfs/dbraw/zinc/92/19/11/949921911.db2.gz KMUNELPOLXHRPF-UWVGGRQHSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](NC(=O)CN1CCCC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575284850 949921929 /nfs/dbraw/zinc/92/19/29/949921929.db2.gz KMUNELPOLXHRPF-UWVGGRQHSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575284871 949922073 /nfs/dbraw/zinc/92/20/73/949922073.db2.gz KORCYBANLLQCEQ-NEPJUHHUSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575284871 949922094 /nfs/dbraw/zinc/92/20/94/949922094.db2.gz KORCYBANLLQCEQ-NEPJUHHUSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575284856 949923201 /nfs/dbraw/zinc/92/32/01/949923201.db2.gz KMUNELPOLXHRPF-ZJUUUORDSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](NC(=O)CN1CCCC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575284856 949923216 /nfs/dbraw/zinc/92/32/16/949923216.db2.gz KMUNELPOLXHRPF-ZJUUUORDSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574726180 949924138 /nfs/dbraw/zinc/92/41/38/949924138.db2.gz GKPWUUJCVWLELP-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574726180 949924158 /nfs/dbraw/zinc/92/41/58/949924158.db2.gz GKPWUUJCVWLELP-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COC1CCCC1 ZINC001575889020 949924403 /nfs/dbraw/zinc/92/44/03/949924403.db2.gz RCHDZWZWYWDCEK-BXUZGUMPSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COC1CCCC1 ZINC001575889020 949924424 /nfs/dbraw/zinc/92/44/24/949924424.db2.gz RCHDZWZWYWDCEK-BXUZGUMPSA-N -1 3 387.444 0.873 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574485690 949925930 /nfs/dbraw/zinc/92/59/30/949925930.db2.gz YUVZKQSZDSYWPS-YPMHNXCESA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574485690 949925943 /nfs/dbraw/zinc/92/59/43/949925943.db2.gz YUVZKQSZDSYWPS-YPMHNXCESA-N -1 3 387.448 0.136 20 0 GCADHM CC(C)(C)/C=C/C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573827637 949926904 /nfs/dbraw/zinc/92/69/04/949926904.db2.gz NAMQRDCVDJCKKJ-SYTKJHMZSA-N -1 3 387.444 0.754 20 0 GCADHM CC(C)(C)/C=C/C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573827637 949926921 /nfs/dbraw/zinc/92/69/21/949926921.db2.gz NAMQRDCVDJCKKJ-SYTKJHMZSA-N -1 3 387.444 0.754 20 0 GCADHM CC(C)(C)/C=C\C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573827633 949926947 /nfs/dbraw/zinc/92/69/47/949926947.db2.gz NAMQRDCVDJCKKJ-DGMVEKRQSA-N -1 3 387.444 0.754 20 0 GCADHM CC(C)(C)/C=C\C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573827633 949926959 /nfs/dbraw/zinc/92/69/59/949926959.db2.gz NAMQRDCVDJCKKJ-DGMVEKRQSA-N -1 3 387.444 0.754 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@@H]2O)CC1 ZINC001575569729 949927310 /nfs/dbraw/zinc/92/73/10/949927310.db2.gz NKJFDJQEPCDOIT-NEPJUHHUSA-N -1 3 377.836 0.771 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@@H]2O)CC1 ZINC001575569729 949927331 /nfs/dbraw/zinc/92/73/31/949927331.db2.gz NKJFDJQEPCDOIT-NEPJUHHUSA-N -1 3 377.836 0.771 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001574969082 949928629 /nfs/dbraw/zinc/92/86/29/949928629.db2.gz ZEEPUDGUVPQPLB-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001574969082 949928651 /nfs/dbraw/zinc/92/86/51/949928651.db2.gz ZEEPUDGUVPQPLB-ZMZPIMSZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574972094 949929330 /nfs/dbraw/zinc/92/93/30/949929330.db2.gz ACYQNSACTSSVAI-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574972094 949929346 /nfs/dbraw/zinc/92/93/46/949929346.db2.gz ACYQNSACTSSVAI-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C)NC(N)=O ZINC001574487608 949932189 /nfs/dbraw/zinc/93/21/89/949932189.db2.gz AEISONZRJVPVFQ-GWCFXTLKSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C)NC(N)=O ZINC001574487608 949932207 /nfs/dbraw/zinc/93/22/07/949932207.db2.gz AEISONZRJVPVFQ-GWCFXTLKSA-N -1 3 389.464 0.651 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCNC(=O)C1 ZINC001575570125 949932072 /nfs/dbraw/zinc/93/20/72/949932072.db2.gz PRUAMSIUSSVETE-GTNSWQLSSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCNC(=O)C1 ZINC001575570125 949932095 /nfs/dbraw/zinc/93/20/95/949932095.db2.gz PRUAMSIUSSVETE-GTNSWQLSSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575889454 949932510 /nfs/dbraw/zinc/93/25/10/949932510.db2.gz RYZQMDCDMLCYRX-CBAPKCEASA-N -1 3 390.791 0.869 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cc(Cl)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575889454 949932528 /nfs/dbraw/zinc/93/25/28/949932528.db2.gz RYZQMDCDMLCYRX-CBAPKCEASA-N -1 3 390.791 0.869 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575570148 949932460 /nfs/dbraw/zinc/93/24/60/949932460.db2.gz PVAVBLYXVFVYTJ-UGSOOPFHSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575570148 949932479 /nfs/dbraw/zinc/93/24/79/949932479.db2.gz PVAVBLYXVFVYTJ-UGSOOPFHSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574488099 949940563 /nfs/dbraw/zinc/94/05/63/949940563.db2.gz DKGWIPAURORJHA-BMLIUANNSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576180117 949940687 /nfs/dbraw/zinc/94/06/87/949940687.db2.gz CFEOVUJCVLMALJ-OLZOCXBDSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576180117 949940696 /nfs/dbraw/zinc/94/06/96/949940696.db2.gz CFEOVUJCVLMALJ-OLZOCXBDSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@H](CC(=O)N[C@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574488099 949940577 /nfs/dbraw/zinc/94/05/77/949940577.db2.gz DKGWIPAURORJHA-BMLIUANNSA-N -1 3 390.423 0.538 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)[C@H](C)c1nnnn1C1CC1 ZINC001574972554 949940716 /nfs/dbraw/zinc/94/07/16/949940716.db2.gz DAVUVHVGUPZUMT-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)[C@H](C)c1nnnn1C1CC1 ZINC001574972554 949940740 /nfs/dbraw/zinc/94/07/40/949940740.db2.gz DAVUVHVGUPZUMT-NXEZZACHSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1)NC(N)=O ZINC001574488030 949941871 /nfs/dbraw/zinc/94/18/71/949941871.db2.gz CELVDOKEQPWWLG-PRHODGIISA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)N[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1)NC(N)=O ZINC001574488030 949941889 /nfs/dbraw/zinc/94/18/89/949941889.db2.gz CELVDOKEQPWWLG-PRHODGIISA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576180193 949942565 /nfs/dbraw/zinc/94/25/65/949942565.db2.gz CRXBGUSYPMEYHL-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2cc[nH]n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576180193 949942590 /nfs/dbraw/zinc/94/25/90/949942590.db2.gz CRXBGUSYPMEYHL-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575285273 949942847 /nfs/dbraw/zinc/94/28/47/949942847.db2.gz MGEDWRDCUGIAQN-AAEUAGOBSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575285273 949942867 /nfs/dbraw/zinc/94/28/67/949942867.db2.gz MGEDWRDCUGIAQN-AAEUAGOBSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575285276 949942949 /nfs/dbraw/zinc/94/29/49/949942949.db2.gz MGEDWRDCUGIAQN-YPMHNXCESA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575285276 949942969 /nfs/dbraw/zinc/94/29/69/949942969.db2.gz MGEDWRDCUGIAQN-YPMHNXCESA-N -1 3 386.460 0.304 20 0 GCADHM CC(C)C[C@H](C)N(C)C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574146367 949944539 /nfs/dbraw/zinc/94/45/39/949944539.db2.gz YWJXSTGYZQTHGU-LBPRGKRZSA-N -1 3 388.476 0.502 20 0 GCADHM CC(C)C[C@H](C)N(C)C(=O)CN1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574146367 949944552 /nfs/dbraw/zinc/94/45/52/949944552.db2.gz YWJXSTGYZQTHGU-LBPRGKRZSA-N -1 3 388.476 0.502 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cncn1C ZINC001575890138 949944375 /nfs/dbraw/zinc/94/43/75/949944375.db2.gz VOBJPPMKAFTHKQ-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cncn1C ZINC001575890138 949944391 /nfs/dbraw/zinc/94/43/91/949944391.db2.gz VOBJPPMKAFTHKQ-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CC1CCOCC1 ZINC001574972958 949946262 /nfs/dbraw/zinc/94/62/62/949946262.db2.gz FGFYGRGMFSDLAP-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CC1CCOCC1 ZINC001574972958 949946281 /nfs/dbraw/zinc/94/62/81/949946281.db2.gz FGFYGRGMFSDLAP-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575570901 949947158 /nfs/dbraw/zinc/94/71/58/949947158.db2.gz WGOMNYJJWXULNA-BBATYDOGSA-N -1 3 387.419 0.617 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575570901 949947173 /nfs/dbraw/zinc/94/71/73/949947173.db2.gz WGOMNYJJWXULNA-BBATYDOGSA-N -1 3 387.419 0.617 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccnnc1 ZINC001574147688 949947383 /nfs/dbraw/zinc/94/73/83/949947383.db2.gz AEGHILVVRSYIER-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccnnc1 ZINC001574147688 949947390 /nfs/dbraw/zinc/94/73/90/949947390.db2.gz AEGHILVVRSYIER-CYBMUJFWSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285509 949948979 /nfs/dbraw/zinc/94/89/79/949948979.db2.gz NXTASAICUAYSNJ-QWRGUYRKSA-N -1 3 378.412 0.038 20 0 GCADHM C[C@H](NC(=O)CN1CCOCC1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285509 949948999 /nfs/dbraw/zinc/94/89/99/949948999.db2.gz NXTASAICUAYSNJ-QWRGUYRKSA-N -1 3 378.412 0.038 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1CCOCC1 ZINC001574147724 949949111 /nfs/dbraw/zinc/94/91/11/949949111.db2.gz AWAPUCAUVBRCQG-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1CCOCC1 ZINC001574147724 949949130 /nfs/dbraw/zinc/94/91/30/949949130.db2.gz AWAPUCAUVBRCQG-AWEZNQCLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1cnoc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147744 949949915 /nfs/dbraw/zinc/94/99/15/949949915.db2.gz BJWVRGWEZXFUHH-GFCCVEGCSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1cnoc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147744 949949928 /nfs/dbraw/zinc/94/99/28/949949928.db2.gz BJWVRGWEZXFUHH-GFCCVEGCSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1c[nH]cn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147702 949950337 /nfs/dbraw/zinc/95/03/37/949950337.db2.gz ALQXTCZPWASCQK-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C)cn1 ZINC001574147748 949951188 /nfs/dbraw/zinc/95/11/88/949951188.db2.gz BRCOEVVMSCCUAE-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C)cn1 ZINC001574147748 949951209 /nfs/dbraw/zinc/95/12/09/949951209.db2.gz BRCOEVVMSCCUAE-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCCOC1 ZINC001575571170 949953117 /nfs/dbraw/zinc/95/31/17/949953117.db2.gz XXNTWNPQUYANNN-YVEFUNNKSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCCOC1 ZINC001575571170 949953131 /nfs/dbraw/zinc/95/31/31/949953131.db2.gz XXNTWNPQUYANNN-YVEFUNNKSA-N -1 3 375.408 0.912 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C)c1 ZINC001574147777 949953409 /nfs/dbraw/zinc/95/34/09/949953409.db2.gz BYVZYUVSIAVDFX-ZDUSSCGKSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C)c1 ZINC001574147777 949953422 /nfs/dbraw/zinc/95/34/22/949953422.db2.gz BYVZYUVSIAVDFX-ZDUSSCGKSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCCO1 ZINC001574147830 949953522 /nfs/dbraw/zinc/95/35/22/949953522.db2.gz DHYUDHAKAPKFDO-GXTWGEPZSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCO1 ZINC001574147830 949953534 /nfs/dbraw/zinc/95/35/34/949953534.db2.gz DHYUDHAKAPKFDO-GXTWGEPZSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)CCNC(=O)C1 ZINC001575571247 949954089 /nfs/dbraw/zinc/95/40/89/949954089.db2.gz ZFTITNBXSXPLFE-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@]1(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCNC(=O)C1 ZINC001575571247 949954111 /nfs/dbraw/zinc/95/41/11/949954111.db2.gz ZFTITNBXSXPLFE-SFHVURJKSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575285668 949959095 /nfs/dbraw/zinc/95/90/95/949959095.db2.gz PRNITGHQAXVXCW-VXGBXAGGSA-N -1 3 387.448 0.372 20 0 GCADHM C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575285668 949959118 /nfs/dbraw/zinc/95/91/18/949959118.db2.gz PRNITGHQAXVXCW-VXGBXAGGSA-N -1 3 387.448 0.372 20 0 GCADHM CC(C)C[C@@H](CNC(=O)CC(C)(C)O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147869 949959503 /nfs/dbraw/zinc/95/95/03/949959503.db2.gz FCZKCKSKWJTQDI-NSHDSACASA-N -1 3 377.449 0.617 20 0 GCADHM CC(C)C[C@@H](CNC(=O)CC(C)(C)O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147869 949959519 /nfs/dbraw/zinc/95/95/19/949959519.db2.gz FCZKCKSKWJTQDI-NSHDSACASA-N -1 3 377.449 0.617 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576180560 949959584 /nfs/dbraw/zinc/95/95/84/949959584.db2.gz FDOMKQSMLHMXRN-CHWSQXEVSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576180560 949959601 /nfs/dbraw/zinc/95/96/01/949959601.db2.gz FDOMKQSMLHMXRN-CHWSQXEVSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C2CC2)CCNC(=O)C1 ZINC001575571811 949960182 /nfs/dbraw/zinc/96/01/82/949960182.db2.gz AVEQBFNFFKHDTE-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C2CC2)CCNC(=O)C1 ZINC001575571811 949960191 /nfs/dbraw/zinc/96/01/91/949960191.db2.gz AVEQBFNFFKHDTE-ACJLOTCBSA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001574147919 949960449 /nfs/dbraw/zinc/96/04/49/949960449.db2.gz GHJMLBQXGCCQBR-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001574147919 949960468 /nfs/dbraw/zinc/96/04/68/949960468.db2.gz GHJMLBQXGCCQBR-TZMCWYRMSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)CC(=O)Nc1ccccc1 ZINC001574973957 949960795 /nfs/dbraw/zinc/96/07/95/949960795.db2.gz JLIWNKJZUCMPBR-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)Nc1ccccc1 ZINC001574973957 949960814 /nfs/dbraw/zinc/96/08/14/949960814.db2.gz JLIWNKJZUCMPBR-LBPRGKRZSA-N -1 3 382.428 0.884 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147989 949963695 /nfs/dbraw/zinc/96/36/95/949963695.db2.gz ICJCZUOPIHRCEN-OLZOCXBDSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147989 949963712 /nfs/dbraw/zinc/96/37/12/949963712.db2.gz ICJCZUOPIHRCEN-OLZOCXBDSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1csnn1 ZINC001574147981 949964181 /nfs/dbraw/zinc/96/41/81/949964181.db2.gz HXWDORIVTIZWJU-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1csnn1 ZINC001574147981 949964200 /nfs/dbraw/zinc/96/42/00/949964200.db2.gz HXWDORIVTIZWJU-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C1=COCCO1 ZINC001574147963 949965095 /nfs/dbraw/zinc/96/50/95/949965095.db2.gz HGQAUVYVIJBBFA-LBPRGKRZSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C1=COCCO1 ZINC001574147963 949965112 /nfs/dbraw/zinc/96/51/12/949965112.db2.gz HGQAUVYVIJBBFA-LBPRGKRZSA-N -1 3 389.416 0.344 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285864 949965576 /nfs/dbraw/zinc/96/55/76/949965576.db2.gz RNTGUCHGFOJNGI-GHMZBOCLSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285864 949965602 /nfs/dbraw/zinc/96/56/02/949965602.db2.gz RNTGUCHGFOJNGI-GHMZBOCLSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@](CNC(=O)[C@@]1(C)CCOC1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575572006 949968161 /nfs/dbraw/zinc/96/81/61/949968161.db2.gz CJFTXOHDMVKQTP-ROUUACIJSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)[C@@]1(C)CCOC1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575572006 949968182 /nfs/dbraw/zinc/96/81/82/949968182.db2.gz CJFTXOHDMVKQTP-ROUUACIJSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCOC1 ZINC001574148056 949971877 /nfs/dbraw/zinc/97/18/77/949971877.db2.gz JPXQSGTYPZCRGB-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCOC1 ZINC001574148056 949971888 /nfs/dbraw/zinc/97/18/88/949971888.db2.gz JPXQSGTYPZCRGB-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cncc(F)c1 ZINC001575890972 949972844 /nfs/dbraw/zinc/97/28/44/949972844.db2.gz CGFWJJUNCLWDED-CABZTGNLSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cncc(F)c1 ZINC001575890972 949972856 /nfs/dbraw/zinc/97/28/56/949972856.db2.gz CGFWJJUNCLWDED-CABZTGNLSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575890928 949973550 /nfs/dbraw/zinc/97/35/50/949973550.db2.gz BMIRDCVQFWBRGR-MNOVXSKESA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cccnn1 ZINC001575890928 949973562 /nfs/dbraw/zinc/97/35/62/949973562.db2.gz BMIRDCVQFWBRGR-MNOVXSKESA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](NC(=O)CN1CC([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001575286236 949973906 /nfs/dbraw/zinc/97/39/06/949973906.db2.gz UYSWKHGSJFVJRD-GHMZBOCLSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H](NC(=O)CN1CC([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575286236 949973923 /nfs/dbraw/zinc/97/39/23/949973923.db2.gz UYSWKHGSJFVJRD-GHMZBOCLSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575286208 949974101 /nfs/dbraw/zinc/97/41/01/949974101.db2.gz URSNCIVPXFLHMW-RYUDHWBXSA-N -1 3 383.416 0.214 20 0 GCADHM C[C@H](NC(=O)CCn1cnccc1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575286208 949974118 /nfs/dbraw/zinc/97/41/18/949974118.db2.gz URSNCIVPXFLHMW-RYUDHWBXSA-N -1 3 383.416 0.214 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001574974267 949974388 /nfs/dbraw/zinc/97/43/88/949974388.db2.gz MWAPWCZCGBWWHJ-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1n[nH]c2c1CCC2 ZINC001574974267 949974409 /nfs/dbraw/zinc/97/44/09/949974409.db2.gz MWAPWCZCGBWWHJ-VIFPVBQESA-N -1 3 383.416 0.297 20 0 GCADHM CC(C)C[C@@H](CNC(=O)COC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574148149 949976001 /nfs/dbraw/zinc/97/60/01/949976001.db2.gz LIBYWEARLLHMLY-LBPRGKRZSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@@H](CNC(=O)COC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574148149 949976024 /nfs/dbraw/zinc/97/60/24/949976024.db2.gz LIBYWEARLLHMLY-LBPRGKRZSA-N -1 3 377.449 0.881 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001574974283 949976000 /nfs/dbraw/zinc/97/60/00/949976000.db2.gz NLCCHUWAOMQDLW-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)Cc1ccc(F)cn1 ZINC001574974283 949976025 /nfs/dbraw/zinc/97/60/25/949976025.db2.gz NLCCHUWAOMQDLW-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575286190 949976349 /nfs/dbraw/zinc/97/63/49/949976349.db2.gz UKGPZFMAUYRACR-FZMZJTMJSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1nccn1C ZINC001574974371 949977422 /nfs/dbraw/zinc/97/74/22/949977422.db2.gz PAGNPWKHFOPHGN-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1nccn1C ZINC001574974371 949977433 /nfs/dbraw/zinc/97/74/33/949977433.db2.gz PAGNPWKHFOPHGN-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccon1 ZINC001574148132 949978727 /nfs/dbraw/zinc/97/87/27/949978727.db2.gz LDCMWGJVQSGPIN-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccon1 ZINC001574148132 949978748 /nfs/dbraw/zinc/97/87/48/949978748.db2.gz LDCMWGJVQSGPIN-CYBMUJFWSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccnn1 ZINC001574148093 949979014 /nfs/dbraw/zinc/97/90/14/949979014.db2.gz KHOXQEQDMHKSPB-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccnn1 ZINC001574148093 949979037 /nfs/dbraw/zinc/97/90/37/949979037.db2.gz KHOXQEQDMHKSPB-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ccc(F)cn1 ZINC001575891049 949979532 /nfs/dbraw/zinc/97/95/32/949979532.db2.gz DKDNFSYXRXXVRG-MWLCHTKSSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ccc(F)cn1 ZINC001575891049 949979548 /nfs/dbraw/zinc/97/95/48/949979548.db2.gz DKDNFSYXRXXVRG-MWLCHTKSSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575890982 949980193 /nfs/dbraw/zinc/98/01/93/949980193.db2.gz CJVOLJRGESIVKG-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575890982 949980212 /nfs/dbraw/zinc/98/02/12/949980212.db2.gz CJVOLJRGESIVKG-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CCCOC1 ZINC001575572578 949980905 /nfs/dbraw/zinc/98/09/05/949980905.db2.gz GSASIVGTPCMXNM-MEDUHNTESA-N -1 3 379.396 0.107 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CCCOC1 ZINC001575572578 949980919 /nfs/dbraw/zinc/98/09/19/949980919.db2.gz GSASIVGTPCMXNM-MEDUHNTESA-N -1 3 379.396 0.107 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1ccncc1 ZINC001574974405 949984393 /nfs/dbraw/zinc/98/43/93/949984393.db2.gz PVCFQSOJGGKHDZ-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1ccncc1 ZINC001574974405 949984413 /nfs/dbraw/zinc/98/44/13/949984413.db2.gz PVCFQSOJGGKHDZ-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C)c1 ZINC001574148421 949984213 /nfs/dbraw/zinc/98/42/13/949984213.db2.gz MSUFPHVMPCYWFK-ZDUSSCGKSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C)c1 ZINC001574148421 949984235 /nfs/dbraw/zinc/98/42/35/949984235.db2.gz MSUFPHVMPCYWFK-ZDUSSCGKSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@H](NC(=O)CNC(=O)C1CC1)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575286495 949984850 /nfs/dbraw/zinc/98/48/50/949984850.db2.gz XFUMICXMVUXALB-UWVGGRQHSA-N -1 3 375.408 0.837 20 0 GCADHM C[C@H](NC(=O)CNC(=O)C1CC1)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575286495 949984871 /nfs/dbraw/zinc/98/48/71/949984871.db2.gz XFUMICXMVUXALB-UWVGGRQHSA-N -1 3 375.408 0.837 20 0 GCADHM C[C@H](CN(C)C(=O)COc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574727812 949985031 /nfs/dbraw/zinc/98/50/31/949985031.db2.gz ZZSUJUMQSFMHLL-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CN(C)C(=O)COc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574727812 949985047 /nfs/dbraw/zinc/98/50/47/949985047.db2.gz ZZSUJUMQSFMHLL-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001574148727 949987724 /nfs/dbraw/zinc/98/77/24/949987724.db2.gz PGHUOHSSXWFRQS-CHWSQXEVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001574148727 949987744 /nfs/dbraw/zinc/98/77/44/949987744.db2.gz PGHUOHSSXWFRQS-CHWSQXEVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573831110 949990623 /nfs/dbraw/zinc/99/06/23/949990623.db2.gz SYCCDSQGHRWLRE-AAEUAGOBSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573831110 949990633 /nfs/dbraw/zinc/99/06/33/949990633.db2.gz SYCCDSQGHRWLRE-AAEUAGOBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576181196 949990922 /nfs/dbraw/zinc/99/09/22/949990922.db2.gz KKWGXGZMJZUGSX-ZANVPECISA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576181196 949990939 /nfs/dbraw/zinc/99/09/39/949990939.db2.gz KKWGXGZMJZUGSX-ZANVPECISA-N -1 3 385.388 0.249 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574974605 949992892 /nfs/dbraw/zinc/99/28/92/949992892.db2.gz BRKPGHKIZXFWRK-ZWNOBZJWSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCc2cccnc21 ZINC001574974605 949992906 /nfs/dbraw/zinc/99/29/06/949992906.db2.gz BRKPGHKIZXFWRK-ZWNOBZJWSA-N -1 3 380.412 0.554 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573831106 949992958 /nfs/dbraw/zinc/99/29/58/949992958.db2.gz SXIGWXIKLITIIT-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573831106 949992976 /nfs/dbraw/zinc/99/29/76/949992976.db2.gz SXIGWXIKLITIIT-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576181266 949995668 /nfs/dbraw/zinc/99/56/68/949995668.db2.gz LKTXBMSUBCYOLQ-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576181266 949995681 /nfs/dbraw/zinc/99/56/81/949995681.db2.gz LKTXBMSUBCYOLQ-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001574974625 949996398 /nfs/dbraw/zinc/99/63/98/949996398.db2.gz BXXUPQIEQKRZAH-KOLCDFICSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001574974693 949996701 /nfs/dbraw/zinc/99/67/01/949996701.db2.gz RWCBWKYDSKCLBU-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCCOCC1 ZINC001574974693 949996713 /nfs/dbraw/zinc/99/67/13/949996713.db2.gz RWCBWKYDSKCLBU-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1c(F)cncc1F ZINC001574974668 949997930 /nfs/dbraw/zinc/99/79/30/949997930.db2.gz RMGKDENPXMKVSK-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1c(F)cncc1F ZINC001574974668 949997947 /nfs/dbraw/zinc/99/79/47/949997947.db2.gz RMGKDENPXMKVSK-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCCC1 ZINC001575573527 949998136 /nfs/dbraw/zinc/99/81/36/949998136.db2.gz MTANDPQFAUNMMH-ZDUSSCGKSA-N -1 3 389.460 0.762 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCCC1 ZINC001575573527 949998148 /nfs/dbraw/zinc/99/81/48/949998148.db2.gz MTANDPQFAUNMMH-ZDUSSCGKSA-N -1 3 389.460 0.762 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574974717 949998684 /nfs/dbraw/zinc/99/86/84/949998684.db2.gz SDWCKPWQRKBWNW-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574974717 949998703 /nfs/dbraw/zinc/99/87/03/949998703.db2.gz SDWCKPWQRKBWNW-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001574974692 949999164 /nfs/dbraw/zinc/99/91/64/949999164.db2.gz RWCBWKYDSKCLBU-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCCOCC1 ZINC001574974692 949999180 /nfs/dbraw/zinc/99/91/80/949999180.db2.gz RWCBWKYDSKCLBU-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COC(C)C ZINC001574148870 949999395 /nfs/dbraw/zinc/99/93/95/949999395.db2.gz ROAHMJFOAVUKKW-CYBMUJFWSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC(C)C ZINC001574148870 949999413 /nfs/dbraw/zinc/99/94/13/949999413.db2.gz ROAHMJFOAVUKKW-CYBMUJFWSA-N -1 3 377.449 0.881 20 0 GCADHM C[C@@H](NC(=O)Cc1c[nH]cn1)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575289645 950000395 /nfs/dbraw/zinc/00/03/95/950000395.db2.gz AVAKHVVOOYWVAG-VXGBXAGGSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](NC(=O)Cc1c[nH]cn1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575289645 950000414 /nfs/dbraw/zinc/00/04/14/950000414.db2.gz AVAKHVVOOYWVAG-VXGBXAGGSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001574974744 950001023 /nfs/dbraw/zinc/00/10/23/950001023.db2.gz SUQHEFJLAMUKIA-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H](C)n1cccn1 ZINC001574974744 950001043 /nfs/dbraw/zinc/00/10/43/950001043.db2.gz SUQHEFJLAMUKIA-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nnn[n-]3)cc2Cl)CCOC1 ZINC001575573749 950001297 /nfs/dbraw/zinc/00/12/97/950001297.db2.gz OSVLZHQZOCHAII-ZUZCIYMTSA-N -1 3 381.824 0.231 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[n-]n3)cc2Cl)CCOC1 ZINC001575573749 950001317 /nfs/dbraw/zinc/00/13/17/950001317.db2.gz OSVLZHQZOCHAII-ZUZCIYMTSA-N -1 3 381.824 0.231 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575891313 950003153 /nfs/dbraw/zinc/00/31/53/950003153.db2.gz HWOQYNMGSUYHFH-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575891313 950003176 /nfs/dbraw/zinc/00/31/76/950003176.db2.gz HWOQYNMGSUYHFH-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccncn1 ZINC001574149186 950006758 /nfs/dbraw/zinc/00/67/58/950006758.db2.gz UQXQNKKIDWXIAF-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccncn1 ZINC001574149186 950006780 /nfs/dbraw/zinc/00/67/80/950006780.db2.gz UQXQNKKIDWXIAF-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cn1ccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574149515 950007733 /nfs/dbraw/zinc/00/77/33/950007733.db2.gz VRWCXXXQLQKWCM-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cn1ccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574149515 950007753 /nfs/dbraw/zinc/00/77/53/950007753.db2.gz VRWCXXXQLQKWCM-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574490669 950012071 /nfs/dbraw/zinc/01/20/71/950012071.db2.gz XCVLLYGNBXRJHP-LALPHHSUSA-N -1 3 397.443 0.619 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574490669 950012089 /nfs/dbraw/zinc/01/20/89/950012089.db2.gz XCVLLYGNBXRJHP-LALPHHSUSA-N -1 3 397.443 0.619 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575891510 950013538 /nfs/dbraw/zinc/01/35/38/950013538.db2.gz KRILEMAJQUYLNK-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575891510 950013562 /nfs/dbraw/zinc/01/35/62/950013562.db2.gz KRILEMAJQUYLNK-SKDRFNHKSA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COC(C)C ZINC001574150134 950015660 /nfs/dbraw/zinc/01/56/60/950015660.db2.gz XYWYGGZSWMUHHT-ZDUSSCGKSA-N -1 3 377.449 0.881 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COC(C)C ZINC001574150134 950015675 /nfs/dbraw/zinc/01/56/75/950015675.db2.gz XYWYGGZSWMUHHT-ZDUSSCGKSA-N -1 3 377.449 0.881 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@H]1CCCCO1 ZINC001574975177 950017990 /nfs/dbraw/zinc/01/79/90/950017990.db2.gz FZNHEBRXKUSYAK-DGCLKSJQSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@H]1CCCCO1 ZINC001574975177 950018013 /nfs/dbraw/zinc/01/80/13/950018013.db2.gz FZNHEBRXKUSYAK-DGCLKSJQSA-N -1 3 375.433 0.779 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574150205 950020512 /nfs/dbraw/zinc/02/05/12/950020512.db2.gz ZCGJUMBRUBGURZ-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574150205 950020533 /nfs/dbraw/zinc/02/05/33/950020533.db2.gz ZCGJUMBRUBGURZ-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001574150202 950021468 /nfs/dbraw/zinc/02/14/68/950021468.db2.gz ZBFGOBZBKKLATO-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CCOC1 ZINC001574150202 950021488 /nfs/dbraw/zinc/02/14/88/950021488.db2.gz ZBFGOBZBKKLATO-OCCSQVGLSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@]1(C(=O)NC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C2CC2)CCNC1=O ZINC001575574548 950021560 /nfs/dbraw/zinc/02/15/60/950021560.db2.gz WIHGGLLUFHWBQO-UGSOOPFHSA-N -1 3 387.419 0.839 20 0 GCADHM C[C@]1(C(=O)NC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C2CC2)CCNC1=O ZINC001575574548 950021593 /nfs/dbraw/zinc/02/15/93/950021593.db2.gz WIHGGLLUFHWBQO-UGSOOPFHSA-N -1 3 387.419 0.839 20 0 GCADHM CC(C)(C)CC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573834565 950021782 /nfs/dbraw/zinc/02/17/82/950021782.db2.gz IKOUGOYBPNTMSZ-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573834565 950021812 /nfs/dbraw/zinc/02/18/12/950021812.db2.gz IKOUGOYBPNTMSZ-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573834858 950025148 /nfs/dbraw/zinc/02/51/48/950025148.db2.gz LMNBDCHJQXBVQR-AAEUAGOBSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573834858 950025171 /nfs/dbraw/zinc/02/51/71/950025171.db2.gz LMNBDCHJQXBVQR-AAEUAGOBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574975240 950026773 /nfs/dbraw/zinc/02/67/73/950026773.db2.gz HEBSOUABLCDVRO-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)Oc1ccccn1 ZINC001574975240 950026796 /nfs/dbraw/zinc/02/67/96/950026796.db2.gz HEBSOUABLCDVRO-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM CC(C)(C)CC(=O)NC1(CO)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573834915 950027853 /nfs/dbraw/zinc/02/78/53/950027853.db2.gz MEJZTNACCNLXGI-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CC(=O)NC1(CO)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573834915 950027874 /nfs/dbraw/zinc/02/78/74/950027874.db2.gz MEJZTNACCNLXGI-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001574150424 950031367 /nfs/dbraw/zinc/03/13/67/950031367.db2.gz ZSRJNSHUMVMXNN-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ncc[nH]1 ZINC001574150424 950031385 /nfs/dbraw/zinc/03/13/85/950031385.db2.gz ZSRJNSHUMVMXNN-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ncccc1F ZINC001575891806 950031579 /nfs/dbraw/zinc/03/15/79/950031579.db2.gz NZGDIMXAVGXOCH-KOLCDFICSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1ncccc1F ZINC001575891806 950031601 /nfs/dbraw/zinc/03/16/01/950031601.db2.gz NZGDIMXAVGXOCH-KOLCDFICSA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ncccn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574150803 950034360 /nfs/dbraw/zinc/03/43/60/950034360.db2.gz DIHFEUKJJOWIIF-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ncccn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574150803 950034380 /nfs/dbraw/zinc/03/43/80/950034380.db2.gz DIHFEUKJJOWIIF-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574975612 950036298 /nfs/dbraw/zinc/03/62/98/950036298.db2.gz ISXFLJCEMGBVJJ-BONVTDFDSA-N -1 3 381.396 0.433 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574975612 950036317 /nfs/dbraw/zinc/03/63/17/950036317.db2.gz ISXFLJCEMGBVJJ-BONVTDFDSA-N -1 3 381.396 0.433 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1ccnc1 ZINC001574491427 950036904 /nfs/dbraw/zinc/03/69/04/950036904.db2.gz CUTOPJDMFBJTBW-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001574975616 950036959 /nfs/dbraw/zinc/03/69/59/950036959.db2.gz ISXFLJCEMGBVJJ-ZUZCIYMTSA-N -1 3 381.396 0.433 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1Cc2ccccc2O1 ZINC001574975616 950036983 /nfs/dbraw/zinc/03/69/83/950036983.db2.gz ISXFLJCEMGBVJJ-ZUZCIYMTSA-N -1 3 381.396 0.433 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574975610 950037360 /nfs/dbraw/zinc/03/73/60/950037360.db2.gz ISXFLJCEMGBVJJ-BMIGLBTASA-N -1 3 381.396 0.433 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1Cc2ccccc2O1 ZINC001574975610 950037377 /nfs/dbraw/zinc/03/73/77/950037377.db2.gz ISXFLJCEMGBVJJ-BMIGLBTASA-N -1 3 381.396 0.433 20 0 GCADHM CC(C)(C)CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001573835174 950038722 /nfs/dbraw/zinc/03/87/22/950038722.db2.gz QHSQAZKUBLHNIE-OLZOCXBDSA-N -1 3 377.424 0.893 20 0 GCADHM CC(C)(C)CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001573835174 950038744 /nfs/dbraw/zinc/03/87/44/950038744.db2.gz QHSQAZKUBLHNIE-OLZOCXBDSA-N -1 3 377.424 0.893 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CCC2)CCC(=O)NC1 ZINC001575575082 950038943 /nfs/dbraw/zinc/03/89/43/950038943.db2.gz DNJFWVVTFZUIRU-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CCC2)CCC(=O)NC1 ZINC001575575082 950038964 /nfs/dbraw/zinc/03/89/64/950038964.db2.gz DNJFWVVTFZUIRU-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574491645 950044460 /nfs/dbraw/zinc/04/44/60/950044460.db2.gz FKLIDLILLDBIEC-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574491645 950044479 /nfs/dbraw/zinc/04/44/79/950044479.db2.gz FKLIDLILLDBIEC-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCCC1 ZINC001575575242 950044602 /nfs/dbraw/zinc/04/46/02/950044602.db2.gz GQYYOVKGNYWVLG-CYBMUJFWSA-N -1 3 389.460 0.762 20 0 GCADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCCC1 ZINC001575575242 950044623 /nfs/dbraw/zinc/04/46/23/950044623.db2.gz GQYYOVKGNYWVLG-CYBMUJFWSA-N -1 3 389.460 0.762 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574731343 950046819 /nfs/dbraw/zinc/04/68/19/950046819.db2.gz CRKHANSYAVDOJZ-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574731343 950046841 /nfs/dbraw/zinc/04/68/41/950046841.db2.gz CRKHANSYAVDOJZ-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccn1 ZINC001574491962 950052412 /nfs/dbraw/zinc/05/24/12/950052412.db2.gz HVCCEEXNCXGSIQ-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM C[C@H](CC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccn1 ZINC001574491962 950052435 /nfs/dbraw/zinc/05/24/35/950052435.db2.gz HVCCEEXNCXGSIQ-LLVKDONJSA-N -1 3 383.416 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncccn1 ZINC001574151065 950054470 /nfs/dbraw/zinc/05/44/70/950054470.db2.gz KJYVFXPURYNFOE-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncccn1 ZINC001574151065 950054498 /nfs/dbraw/zinc/05/44/98/950054498.db2.gz KJYVFXPURYNFOE-NSHDSACASA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575892161 950055062 /nfs/dbraw/zinc/05/50/62/950055062.db2.gz SLKJGQHOJOFWCP-HHHUMZEGSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001575892161 950055084 /nfs/dbraw/zinc/05/50/84/950055084.db2.gz SLKJGQHOJOFWCP-HHHUMZEGSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCC1CCOCC1 ZINC001574975968 950055243 /nfs/dbraw/zinc/05/52/43/950055243.db2.gz LPXVOFBERRTJFN-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCC1CCOCC1 ZINC001574975968 950055268 /nfs/dbraw/zinc/05/52/68/950055268.db2.gz LPXVOFBERRTJFN-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575892105 950056050 /nfs/dbraw/zinc/05/60/50/950056050.db2.gz ROLVKZAOYICUHK-GHMZBOCLSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575892105 950056071 /nfs/dbraw/zinc/05/60/71/950056071.db2.gz ROLVKZAOYICUHK-GHMZBOCLSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCCC2)CCOC1 ZINC001575575525 950056521 /nfs/dbraw/zinc/05/65/21/950056521.db2.gz KEJBAJQXKCSEIS-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCCC2)CCOC1 ZINC001575575525 950056544 /nfs/dbraw/zinc/05/65/44/950056544.db2.gz KEJBAJQXKCSEIS-KRWDZBQOSA-N -1 3 387.444 0.780 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574492084 950062500 /nfs/dbraw/zinc/06/25/00/950062500.db2.gz JBKQCGHAHDWQAN-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574732061 950063009 /nfs/dbraw/zinc/06/30/09/950063009.db2.gz FTKSNZNKMFDFAD-OCCSQVGLSA-N -1 3 386.460 0.920 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)C[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574732061 950063029 /nfs/dbraw/zinc/06/30/29/950063029.db2.gz FTKSNZNKMFDFAD-OCCSQVGLSA-N -1 3 386.460 0.920 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1noc2c1COCC2 ZINC001574976215 950063066 /nfs/dbraw/zinc/06/30/66/950063066.db2.gz NZTMEJYSCHJQJI-JTQLQIEISA-N -1 3 386.416 0.506 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1noc2c1COCC2 ZINC001574976215 950063083 /nfs/dbraw/zinc/06/30/83/950063083.db2.gz NZTMEJYSCHJQJI-JTQLQIEISA-N -1 3 386.416 0.506 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C(C)(C)c1cccnc1 ZINC001574976242 950063130 /nfs/dbraw/zinc/06/31/30/950063130.db2.gz OKWAPTRWFGFNBG-NSHDSACASA-N -1 3 382.428 0.802 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C(C)(C)c1cccnc1 ZINC001574976242 950063152 /nfs/dbraw/zinc/06/31/52/950063152.db2.gz OKWAPTRWFGFNBG-NSHDSACASA-N -1 3 382.428 0.802 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C(C)(C)c1cccnc1 ZINC001574976241 950063334 /nfs/dbraw/zinc/06/33/34/950063334.db2.gz OKWAPTRWFGFNBG-LLVKDONJSA-N -1 3 382.428 0.802 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C(C)(C)c1cccnc1 ZINC001574976241 950063358 /nfs/dbraw/zinc/06/33/58/950063358.db2.gz OKWAPTRWFGFNBG-LLVKDONJSA-N -1 3 382.428 0.802 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1 ZINC001573835690 950064328 /nfs/dbraw/zinc/06/43/28/950064328.db2.gz ADLFXRPWCXIJKE-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1 ZINC001573835690 950064349 /nfs/dbraw/zinc/06/43/49/950064349.db2.gz ADLFXRPWCXIJKE-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575892264 950065369 /nfs/dbraw/zinc/06/53/69/950065369.db2.gz VBZCLFHQNIEBKM-GHMZBOCLSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1ncc[nH]1 ZINC001575892264 950065382 /nfs/dbraw/zinc/06/53/82/950065382.db2.gz VBZCLFHQNIEBKM-GHMZBOCLSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CCC2)CCC(=O)NC1 ZINC001575576122 950066256 /nfs/dbraw/zinc/06/62/56/950066256.db2.gz OFJBSBNAQCRTAT-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CCC2)CCC(=O)NC1 ZINC001575576122 950066279 /nfs/dbraw/zinc/06/62/79/950066279.db2.gz OFJBSBNAQCRTAT-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575892435 950066968 /nfs/dbraw/zinc/06/69/68/950066968.db2.gz VXHFXCHBWQCFPJ-GXSJLCMTSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cscn1 ZINC001575892435 950066990 /nfs/dbraw/zinc/06/69/90/950066990.db2.gz VXHFXCHBWQCFPJ-GXSJLCMTSA-N -1 3 386.441 0.613 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ncccn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151291 950069425 /nfs/dbraw/zinc/06/94/25/950069425.db2.gz OSPHYUMFEYYYPY-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ncccn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151291 950069445 /nfs/dbraw/zinc/06/94/45/950069445.db2.gz OSPHYUMFEYYYPY-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576182920 950070348 /nfs/dbraw/zinc/07/03/48/950070348.db2.gz PXMPCFKNHJVUQS-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576182920 950070366 /nfs/dbraw/zinc/07/03/66/950070366.db2.gz PXMPCFKNHJVUQS-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1cccn1 ZINC001575892492 950070693 /nfs/dbraw/zinc/07/06/93/950070693.db2.gz WSZUKRIPRQEQQL-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1cccn1 ZINC001575892492 950070714 /nfs/dbraw/zinc/07/07/14/950070714.db2.gz WSZUKRIPRQEQQL-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1CC(=O)NC(C)(C)C ZINC001575892459 950070901 /nfs/dbraw/zinc/07/09/01/950070901.db2.gz WIFNIQOHMOKYKF-NWDGAFQWSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)NC(C)(C)C ZINC001575892459 950070921 /nfs/dbraw/zinc/07/09/21/950070921.db2.gz WIFNIQOHMOKYKF-NWDGAFQWSA-N -1 3 388.476 0.692 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151448 950078362 /nfs/dbraw/zinc/07/83/62/950078362.db2.gz RFIFBDNHADWHGK-LLVKDONJSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151448 950078377 /nfs/dbraw/zinc/07/83/77/950078377.db2.gz RFIFBDNHADWHGK-LLVKDONJSA-N -1 3 383.416 0.559 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nnc2n1CCCC2 ZINC001574976480 950079596 /nfs/dbraw/zinc/07/95/96/950079596.db2.gz UENVYUAXDUWPKU-LLVKDONJSA-N -1 3 384.448 0.373 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nnc2n1CCCC2 ZINC001574976480 950079616 /nfs/dbraw/zinc/07/96/16/950079616.db2.gz UENVYUAXDUWPKU-LLVKDONJSA-N -1 3 384.448 0.373 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1ncccc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574732910 950081592 /nfs/dbraw/zinc/08/15/92/950081592.db2.gz MIELIXCUJWOJGC-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)Cc1ncccc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574732910 950081612 /nfs/dbraw/zinc/08/16/12/950081612.db2.gz MIELIXCUJWOJGC-JTQLQIEISA-N -1 3 386.391 0.548 20 0 GCADHM CC1CCN(C(=O)CN(C)CCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001576183347 950087449 /nfs/dbraw/zinc/08/74/49/950087449.db2.gz PTMDBYPGVGGVHL-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM CC1CCN(C(=O)CN(C)CCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001576183347 950087470 /nfs/dbraw/zinc/08/74/70/950087470.db2.gz PTMDBYPGVGGVHL-UHFFFAOYSA-N -1 3 388.476 0.457 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2Cl)CCOC1 ZINC001575577937 950090344 /nfs/dbraw/zinc/09/03/44/950090344.db2.gz YQASEDMWHVJLQV-ZUZCIYMTSA-N -1 3 381.824 0.231 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2Cl)CCOC1 ZINC001575577937 950090363 /nfs/dbraw/zinc/09/03/63/950090363.db2.gz YQASEDMWHVJLQV-ZUZCIYMTSA-N -1 3 381.824 0.231 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575893660 950092436 /nfs/dbraw/zinc/09/24/36/950092436.db2.gz BKPVIGBINTUQQN-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575893660 950092458 /nfs/dbraw/zinc/09/24/58/950092458.db2.gz BKPVIGBINTUQQN-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)Cc1nnnn1C(C)(C)C ZINC001574976654 950093308 /nfs/dbraw/zinc/09/33/08/950093308.db2.gz XTZCWXUFVXPOMQ-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)Cc1nnnn1C(C)(C)C ZINC001574976654 950093328 /nfs/dbraw/zinc/09/33/28/950093328.db2.gz XTZCWXUFVXPOMQ-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cn(C)cn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574151841 950093441 /nfs/dbraw/zinc/09/34/41/950093441.db2.gz ZFISBHLWLOKHEJ-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cn(C)cn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574151841 950093462 /nfs/dbraw/zinc/09/34/62/950093462.db2.gz ZFISBHLWLOKHEJ-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnsn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151807 950095653 /nfs/dbraw/zinc/09/56/53/950095653.db2.gz YMBBJSQZHKDORJ-VIFPVBQESA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnsn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151807 950095673 /nfs/dbraw/zinc/09/56/73/950095673.db2.gz YMBBJSQZHKDORJ-VIFPVBQESA-N -1 3 389.445 0.621 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)CCOC1 ZINC001575582044 950097236 /nfs/dbraw/zinc/09/72/36/950097236.db2.gz CMBICNCZGMUWMY-JKCQUFRZSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)CCOC1 ZINC001575582044 950097254 /nfs/dbraw/zinc/09/72/54/950097254.db2.gz CMBICNCZGMUWMY-JKCQUFRZSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576183733 950099490 /nfs/dbraw/zinc/09/94/90/950099490.db2.gz UDFVLFSQSYOGDI-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)CC(C)(C)O ZINC001576183733 950099515 /nfs/dbraw/zinc/09/95/15/950099515.db2.gz UDFVLFSQSYOGDI-RISCZKNCSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574976787 950101184 /nfs/dbraw/zinc/10/11/84/950101184.db2.gz ARMDPGZEUFYACI-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001574976787 950101191 /nfs/dbraw/zinc/10/11/91/950101191.db2.gz ARMDPGZEUFYACI-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)c1cnco1 ZINC001576183698 950101310 /nfs/dbraw/zinc/10/13/10/950101310.db2.gz SPGHDTBUIOPTSB-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)c1cnco1 ZINC001576183698 950101319 /nfs/dbraw/zinc/10/13/19/950101319.db2.gz SPGHDTBUIOPTSB-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574492755 950102330 /nfs/dbraw/zinc/10/23/30/950102330.db2.gz CJBILVMEXBQPSQ-VXGBXAGGSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574492755 950102335 /nfs/dbraw/zinc/10/23/35/950102335.db2.gz CJBILVMEXBQPSQ-VXGBXAGGSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCn1cnnn1 ZINC001574152405 950103419 /nfs/dbraw/zinc/10/34/19/950103419.db2.gz BKTDJXJHPROKIX-CYBMUJFWSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCn1cnnn1 ZINC001574152405 950103433 /nfs/dbraw/zinc/10/34/33/950103433.db2.gz BKTDJXJHPROKIX-CYBMUJFWSA-N -1 3 385.436 0.281 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573837133 950104766 /nfs/dbraw/zinc/10/47/66/950104766.db2.gz WHUJZJRLJKBBKG-BETUJISGSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573837133 950104780 /nfs/dbraw/zinc/10/47/80/950104780.db2.gz WHUJZJRLJKBBKG-BETUJISGSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575894671 950106890 /nfs/dbraw/zinc/10/68/90/950106890.db2.gz FSTPHHIBGCOHKU-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccnnc2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575894671 950106903 /nfs/dbraw/zinc/10/69/03/950106903.db2.gz FSTPHHIBGCOHKU-GWCFXTLKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575895119 950108694 /nfs/dbraw/zinc/10/86/94/950108694.db2.gz HHBDCLNMDFPXKQ-GXFFZTMASA-N -1 3 381.400 0.545 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn[nH]c(=O)c2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575895119 950108709 /nfs/dbraw/zinc/10/87/09/950108709.db2.gz HHBDCLNMDFPXKQ-GXFFZTMASA-N -1 3 381.400 0.545 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001575582291 950112677 /nfs/dbraw/zinc/11/26/77/950112677.db2.gz HWFRVDKHMKZPGB-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001575582291 950112693 /nfs/dbraw/zinc/11/26/93/950112693.db2.gz HWFRVDKHMKZPGB-SFHVURJKSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575582533 950114300 /nfs/dbraw/zinc/11/43/00/950114300.db2.gz FIIUWNVCTSMXDT-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575582533 950114322 /nfs/dbraw/zinc/11/43/22/950114322.db2.gz FIIUWNVCTSMXDT-ZDUSSCGKSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574733485 950114776 /nfs/dbraw/zinc/11/47/76/950114776.db2.gz CJTDMJATJJXYCD-IJLUTSLNSA-N -1 3 397.443 0.309 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574733485 950114790 /nfs/dbraw/zinc/11/47/90/950114790.db2.gz CJTDMJATJJXYCD-IJLUTSLNSA-N -1 3 397.443 0.309 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574152745 950115328 /nfs/dbraw/zinc/11/53/28/950115328.db2.gz JGRIVPHMOBXNBX-GXTWGEPZSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001574152745 950115339 /nfs/dbraw/zinc/11/53/39/950115339.db2.gz JGRIVPHMOBXNBX-GXTWGEPZSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574733480 950116260 /nfs/dbraw/zinc/11/62/60/950116260.db2.gz CDRMIRKTWBIUEP-QJPTWQEYSA-N -1 3 382.432 0.453 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574977311 950116845 /nfs/dbraw/zinc/11/68/45/950116845.db2.gz JVQVYYUSAODRHM-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C(C)(C)C)c1 ZINC001574977311 950116865 /nfs/dbraw/zinc/11/68/65/950116865.db2.gz JVQVYYUSAODRHM-JTQLQIEISA-N -1 3 385.432 0.695 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574493166 950117279 /nfs/dbraw/zinc/11/72/79/950117279.db2.gz FACIKJZUPCRSIH-AAEUAGOBSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574493166 950117297 /nfs/dbraw/zinc/11/72/97/950117297.db2.gz FACIKJZUPCRSIH-AAEUAGOBSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576184268 950119323 /nfs/dbraw/zinc/11/93/23/950119323.db2.gz VSQDORZVQKJIKY-IAQYHMDHSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576184268 950119340 /nfs/dbraw/zinc/11/93/40/950119340.db2.gz VSQDORZVQKJIKY-IAQYHMDHSA-N -1 3 382.432 0.743 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574152859 950120832 /nfs/dbraw/zinc/12/08/32/950120832.db2.gz KVIKCUQKZPILOQ-HOCLYGCPSA-N -1 3 388.476 0.535 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574152859 950120850 /nfs/dbraw/zinc/12/08/50/950120850.db2.gz KVIKCUQKZPILOQ-HOCLYGCPSA-N -1 3 388.476 0.535 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576184263 950120900 /nfs/dbraw/zinc/12/09/00/950120900.db2.gz VOMFWUCEXBUVQQ-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576184263 950120913 /nfs/dbraw/zinc/12/09/13/950120913.db2.gz VOMFWUCEXBUVQQ-GWCFXTLKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575896273 950126580 /nfs/dbraw/zinc/12/65/80/950126580.db2.gz LRETWNKMRKKRAL-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575896273 950126590 /nfs/dbraw/zinc/12/65/90/950126590.db2.gz LRETWNKMRKKRAL-PWSUYJOCSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574977783 950126801 /nfs/dbraw/zinc/12/68/01/950126801.db2.gz NTRPMWBZDSQTPJ-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C2CCC2)c1 ZINC001574977783 950126810 /nfs/dbraw/zinc/12/68/10/950126810.db2.gz NTRPMWBZDSQTPJ-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574734200 950129332 /nfs/dbraw/zinc/12/93/32/950129332.db2.gz KPTHZWIRYTZTND-YUMQZZPRSA-N -1 3 381.828 0.231 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574734200 950129346 /nfs/dbraw/zinc/12/93/46/950129346.db2.gz KPTHZWIRYTZTND-YUMQZZPRSA-N -1 3 381.828 0.231 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576184430 950129916 /nfs/dbraw/zinc/12/99/16/950129916.db2.gz WJAWXOPDXQBDLA-SMDDNHRTSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576184430 950129926 /nfs/dbraw/zinc/12/99/26/950129926.db2.gz WJAWXOPDXQBDLA-SMDDNHRTSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575582875 950130009 /nfs/dbraw/zinc/13/00/09/950130009.db2.gz IFTLNZCPMOEWLO-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575582875 950130021 /nfs/dbraw/zinc/13/00/21/950130021.db2.gz IFTLNZCPMOEWLO-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cncnc1C1CC1 ZINC001574977906 950130661 /nfs/dbraw/zinc/13/06/61/950130661.db2.gz OYMSXAHJZFACQQ-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cncnc1C1CC1 ZINC001574977906 950130672 /nfs/dbraw/zinc/13/06/72/950130672.db2.gz OYMSXAHJZFACQQ-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001575896735 950131193 /nfs/dbraw/zinc/13/11/93/950131193.db2.gz NAVKCYMPICPGTH-PWSUYJOCSA-N -1 3 387.473 0.840 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncc(-c4nnn[n-]4)cc3F)CC2)CCNC(=O)C1 ZINC001575582893 950132809 /nfs/dbraw/zinc/13/28/09/950132809.db2.gz MHNJKFXYTRVSCW-MRXNPFEDSA-N -1 3 388.407 0.378 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncc(-c4nn[n-]n4)cc3F)CC2)CCNC(=O)C1 ZINC001575582893 950132825 /nfs/dbraw/zinc/13/28/25/950132825.db2.gz MHNJKFXYTRVSCW-MRXNPFEDSA-N -1 3 388.407 0.378 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575896419 950133170 /nfs/dbraw/zinc/13/31/70/950133170.db2.gz MGKKWQVUJYNYNG-GWCFXTLKSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)c2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575896419 950133184 /nfs/dbraw/zinc/13/31/84/950133184.db2.gz MGKKWQVUJYNYNG-GWCFXTLKSA-N -1 3 383.416 0.351 20 0 GCADHM CC(C)[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574493409 950133766 /nfs/dbraw/zinc/13/37/66/950133766.db2.gz GTWKJPTVGAVJIU-JQWIXIFHSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574493409 950133787 /nfs/dbraw/zinc/13/37/87/950133787.db2.gz GTWKJPTVGAVJIU-JQWIXIFHSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)c1nccnc1N ZINC001574153237 950136236 /nfs/dbraw/zinc/13/62/36/950136236.db2.gz PSCCRAFRKFOQLI-LBPRGKRZSA-N -1 3 382.432 0.891 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)c1nccnc1N ZINC001574153237 950136248 /nfs/dbraw/zinc/13/62/48/950136248.db2.gz PSCCRAFRKFOQLI-LBPRGKRZSA-N -1 3 382.432 0.891 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc2n[nH]cc2c1 ZINC001574978415 950138211 /nfs/dbraw/zinc/13/82/11/950138211.db2.gz SYNXVFBJMAOSLZ-QMMMGPOBSA-N -1 3 380.372 0.014 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc2n[nH]cc2c1 ZINC001574978415 950138228 /nfs/dbraw/zinc/13/82/28/950138228.db2.gz SYNXVFBJMAOSLZ-QMMMGPOBSA-N -1 3 380.372 0.014 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574734691 950138103 /nfs/dbraw/zinc/13/81/03/950138103.db2.gz ODFKBEBIWXEGJC-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574734691 950138118 /nfs/dbraw/zinc/13/81/18/950138118.db2.gz ODFKBEBIWXEGJC-REJLFOLJSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1ccccc1F ZINC001574978400 950138745 /nfs/dbraw/zinc/13/87/45/950138745.db2.gz SSOAAQNKHRDHNO-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1ccccc1F ZINC001574978400 950138757 /nfs/dbraw/zinc/13/87/57/950138757.db2.gz SSOAAQNKHRDHNO-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574493814 950141030 /nfs/dbraw/zinc/14/10/30/950141030.db2.gz HWXDUMFITHTNJS-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574493814 950141044 /nfs/dbraw/zinc/14/10/44/950141044.db2.gz HWXDUMFITHTNJS-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CN1CCCC1=O ZINC001574153516 950142180 /nfs/dbraw/zinc/14/21/80/950142180.db2.gz UKVVRLTZRHDXTP-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CN1CCCC1=O ZINC001574153516 950142199 /nfs/dbraw/zinc/14/21/99/950142199.db2.gz UKVVRLTZRHDXTP-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@@H]1COCCO1 ZINC001574153353 950144372 /nfs/dbraw/zinc/14/43/72/950144372.db2.gz SHOMVSFDVBSSIR-HIFRSBDPSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@@H]1COCCO1 ZINC001574153353 950144379 /nfs/dbraw/zinc/14/43/79/950144379.db2.gz SHOMVSFDVBSSIR-HIFRSBDPSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575897697 950145256 /nfs/dbraw/zinc/14/52/56/950145256.db2.gz QFRNXAVTVLZBSD-MFKMUULPSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccnn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575897697 950145272 /nfs/dbraw/zinc/14/52/72/950145272.db2.gz QFRNXAVTVLZBSD-MFKMUULPSA-N -1 3 383.391 0.978 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cc(C2CC2)no1 ZINC001574979153 950146750 /nfs/dbraw/zinc/14/67/50/950146750.db2.gz WUKJCGKAQCJROZ-SECBINFHSA-N -1 3 384.400 0.537 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cc(C2CC2)no1 ZINC001574979153 950146758 /nfs/dbraw/zinc/14/67/58/950146758.db2.gz WUKJCGKAQCJROZ-SECBINFHSA-N -1 3 384.400 0.537 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575898164 950147750 /nfs/dbraw/zinc/14/77/50/950147750.db2.gz QTSUDUCJBNFTBX-JQWIXIFHSA-N -1 3 383.416 0.488 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573842574 950148369 /nfs/dbraw/zinc/14/83/69/950148369.db2.gz HQTMLOBBMLOOPF-OCCSQVGLSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573842574 950148392 /nfs/dbraw/zinc/14/83/92/950148392.db2.gz HQTMLOBBMLOOPF-OCCSQVGLSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)[nH]2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575898166 950150595 /nfs/dbraw/zinc/15/05/95/950150595.db2.gz QTSUDUCJBNFTBX-ZYHUDNBSSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574734917 950151852 /nfs/dbraw/zinc/15/18/52/950151852.db2.gz VBBMMIPDQPFDAY-IJLUTSLNSA-N -1 3 382.432 0.453 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574494130 950152405 /nfs/dbraw/zinc/15/24/05/950152405.db2.gz WYQSNJOBONRCEI-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574494130 950152418 /nfs/dbraw/zinc/15/24/18/950152418.db2.gz WYQSNJOBONRCEI-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(c3cccc(F)c3-c3nnn[n-]3)C2)CCOC1 ZINC001575583729 950154204 /nfs/dbraw/zinc/15/42/04/950154204.db2.gz UCEXQPSOJBKIFU-MSOLQXFVSA-N -1 3 390.419 0.490 20 0 GCADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(c3cccc(F)c3-c3nn[n-]n3)C2)CCOC1 ZINC001575583729 950154211 /nfs/dbraw/zinc/15/42/11/950154211.db2.gz UCEXQPSOJBKIFU-MSOLQXFVSA-N -1 3 390.419 0.490 20 0 GCADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(c3cccc(F)c3-c3nnn[n-]3)C2)CCOC1 ZINC001575583732 950154286 /nfs/dbraw/zinc/15/42/86/950154286.db2.gz UCEXQPSOJBKIFU-QZTJIDSGSA-N -1 3 390.419 0.490 20 0 GCADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(c3cccc(F)c3-c3nn[n-]n3)C2)CCOC1 ZINC001575583732 950154299 /nfs/dbraw/zinc/15/42/99/950154299.db2.gz UCEXQPSOJBKIFU-QZTJIDSGSA-N -1 3 390.419 0.490 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2ncccc2-c2nnn[n-]2)CCNC1=O ZINC001575583781 950154750 /nfs/dbraw/zinc/15/47/50/950154750.db2.gz NPDLFKAUEGNTHK-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCCN2c2ncccc2-c2nn[n-]n2)CCNC1=O ZINC001575583781 950154760 /nfs/dbraw/zinc/15/47/60/950154760.db2.gz NPDLFKAUEGNTHK-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574153930 950156166 /nfs/dbraw/zinc/15/61/66/950156166.db2.gz YBCDBCKFSVMWFU-KBPBESRZSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574153930 950156180 /nfs/dbraw/zinc/15/61/80/950156180.db2.gz YBCDBCKFSVMWFU-KBPBESRZSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnccn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575898529 950156746 /nfs/dbraw/zinc/15/67/46/950156746.db2.gz SVGYIAZYJZZVQA-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnccn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575898529 950156754 /nfs/dbraw/zinc/15/67/54/950156754.db2.gz SVGYIAZYJZZVQA-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574494202 950157537 /nfs/dbraw/zinc/15/75/37/950157537.db2.gz XVDMAVDZVTZPHI-PWSUYJOCSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575584008 950157603 /nfs/dbraw/zinc/15/76/03/950157603.db2.gz OGWZWPHHBKWLOB-LJMKFJKQSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575584008 950157615 /nfs/dbraw/zinc/15/76/15/950157615.db2.gz OGWZWPHHBKWLOB-LJMKFJKQSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573842796 950158429 /nfs/dbraw/zinc/15/84/29/950158429.db2.gz KSHJXOGGNQGFPX-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573842796 950158442 /nfs/dbraw/zinc/15/84/42/950158442.db2.gz KSHJXOGGNQGFPX-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574735036 950160579 /nfs/dbraw/zinc/16/05/79/950160579.db2.gz XVPFDRWRIPZYCM-BXKDBHETSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574735036 950160597 /nfs/dbraw/zinc/16/05/97/950160597.db2.gz XVPFDRWRIPZYCM-BXKDBHETSA-N -1 3 392.851 0.843 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576185131 950161048 /nfs/dbraw/zinc/16/10/48/950161048.db2.gz ZNFKEENCXOWULW-SMDDNHRTSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576185131 950161061 /nfs/dbraw/zinc/16/10/61/950161061.db2.gz ZNFKEENCXOWULW-SMDDNHRTSA-N -1 3 382.432 0.743 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574738012 950162328 /nfs/dbraw/zinc/16/23/28/950162328.db2.gz AZBCXIIVCREWGN-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574738012 950162344 /nfs/dbraw/zinc/16/23/44/950162344.db2.gz AZBCXIIVCREWGN-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494485 950166108 /nfs/dbraw/zinc/16/61/08/950166108.db2.gz ZOZKBXZEFWJQAS-MFKMUULPSA-N -1 3 390.423 0.143 20 0 GCADHM CC(C)(C)CCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573843166 950166638 /nfs/dbraw/zinc/16/66/38/950166638.db2.gz QIRMLIWARJBYLP-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573843166 950166647 /nfs/dbraw/zinc/16/66/47/950166647.db2.gz QIRMLIWARJBYLP-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1cccn1 ZINC001574494556 950168546 /nfs/dbraw/zinc/16/85/46/950168546.db2.gz LBHWBGKKWQKTMU-VXGBXAGGSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CC(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1cccn1 ZINC001574494556 950168560 /nfs/dbraw/zinc/16/85/60/950168560.db2.gz LBHWBGKKWQKTMU-VXGBXAGGSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccnn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899509 950168509 /nfs/dbraw/zinc/16/85/09/950168509.db2.gz WZWKMADVVDVWFP-QWRGUYRKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cccnn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899509 950168524 /nfs/dbraw/zinc/16/85/24/950168524.db2.gz WZWKMADVVDVWFP-QWRGUYRKSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)CC(C)(C)O ZINC001576190660 950169146 /nfs/dbraw/zinc/16/91/46/950169146.db2.gz CNXDTAPASSOIKU-DGCLKSJQSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)CC(C)(C)O ZINC001576190660 950169158 /nfs/dbraw/zinc/16/91/58/950169158.db2.gz CNXDTAPASSOIKU-DGCLKSJQSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574154376 950169569 /nfs/dbraw/zinc/16/95/69/950169569.db2.gz DQTOTNWCGHGQBP-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574154376 950169586 /nfs/dbraw/zinc/16/95/86/950169586.db2.gz DQTOTNWCGHGQBP-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc(Cl)n1C ZINC001574738471 950170662 /nfs/dbraw/zinc/17/06/62/950170662.db2.gz FNZYDAUOMDUXRW-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc(Cl)n1C ZINC001574738471 950170678 /nfs/dbraw/zinc/17/06/78/950170678.db2.gz FNZYDAUOMDUXRW-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001574982508 950171414 /nfs/dbraw/zinc/17/14/14/950171414.db2.gz DOGAIBPBYULWIN-VIFPVBQESA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1c[nH]nc1C1CC1 ZINC001574982508 950171427 /nfs/dbraw/zinc/17/14/27/950171427.db2.gz DOGAIBPBYULWIN-VIFPVBQESA-N -1 3 383.416 0.591 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576190818 950172545 /nfs/dbraw/zinc/17/25/45/950172545.db2.gz CAHMSWPYEWZISE-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576190818 950172565 /nfs/dbraw/zinc/17/25/65/950172565.db2.gz CAHMSWPYEWZISE-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM CC(C)C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)c1nnn(C)n1 ZINC001574154539 950172961 /nfs/dbraw/zinc/17/29/61/950172961.db2.gz FHDJHTZNPVVYQJ-JTQLQIEISA-N -1 3 388.411 0.786 20 0 GCADHM CC(C)C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)c1nnn(C)n1 ZINC001574154539 950172976 /nfs/dbraw/zinc/17/29/76/950172976.db2.gz FHDJHTZNPVVYQJ-JTQLQIEISA-N -1 3 388.411 0.786 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575899535 950173076 /nfs/dbraw/zinc/17/30/76/950173076.db2.gz XOGFVDIPUBYVBN-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cncn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575899535 950173088 /nfs/dbraw/zinc/17/30/88/950173088.db2.gz XOGFVDIPUBYVBN-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncnc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899707 950173117 /nfs/dbraw/zinc/17/31/17/950173117.db2.gz YDPJMRQYXQAJQJ-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncnc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899707 950173128 /nfs/dbraw/zinc/17/31/28/950173128.db2.gz YDPJMRQYXQAJQJ-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)c1cnc[nH]c1=O ZINC001574154694 950173777 /nfs/dbraw/zinc/17/37/77/950173777.db2.gz GCKSBKHACPEZIA-SNVBAGLBSA-N -1 3 384.404 0.409 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncnc2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575899705 950174157 /nfs/dbraw/zinc/17/41/57/950174157.db2.gz YDPJMRQYXQAJQJ-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncnc2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575899705 950174167 /nfs/dbraw/zinc/17/41/67/950174167.db2.gz YDPJMRQYXQAJQJ-JQWIXIFHSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1conc1C1CC1 ZINC001574738782 950174856 /nfs/dbraw/zinc/17/48/56/950174856.db2.gz HROKXRUDYXZTSD-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1conc1C1CC1 ZINC001574738782 950174868 /nfs/dbraw/zinc/17/48/68/950174868.db2.gz HROKXRUDYXZTSD-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC1CCN(CC(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576190845 950176936 /nfs/dbraw/zinc/17/69/36/950176936.db2.gz CDMDIOFIDOQKLX-CQSZACIVSA-N -1 3 385.476 0.426 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574494729 950178701 /nfs/dbraw/zinc/17/87/01/950178701.db2.gz NJLQONGSGQORII-CMPLNLGQSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574494729 950178716 /nfs/dbraw/zinc/17/87/16/950178716.db2.gz NJLQONGSGQORII-CMPLNLGQSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575899820 950182885 /nfs/dbraw/zinc/18/28/85/950182885.db2.gz ZTWZDJLCHDUSJO-NOZJJQNGSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575899820 950182895 /nfs/dbraw/zinc/18/28/95/950182895.db2.gz ZTWZDJLCHDUSJO-NOZJJQNGSA-N -1 3 384.375 0.762 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573844112 950183389 /nfs/dbraw/zinc/18/33/89/950183389.db2.gz BHYXAHVLBVWSAM-KGLIPLIRSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)CCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573844112 950183408 /nfs/dbraw/zinc/18/34/08/950183408.db2.gz BHYXAHVLBVWSAM-KGLIPLIRSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCc1nn(C)cc1Cl ZINC001574738990 950184317 /nfs/dbraw/zinc/18/43/17/950184317.db2.gz KAWGOWUVIUPRRU-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nn(C)cc1Cl ZINC001574738990 950184346 /nfs/dbraw/zinc/18/43/46/950184346.db2.gz KAWGOWUVIUPRRU-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ncccn2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575900051 950186168 /nfs/dbraw/zinc/18/61/68/950186168.db2.gz BMMSWOZDVUJYGA-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ncccn2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575900051 950186175 /nfs/dbraw/zinc/18/61/75/950186175.db2.gz BMMSWOZDVUJYGA-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573844320 950186687 /nfs/dbraw/zinc/18/66/87/950186687.db2.gz FRJZZMRVYCQCPG-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573844320 950186699 /nfs/dbraw/zinc/18/66/99/950186699.db2.gz FRJZZMRVYCQCPG-UHFFFAOYSA-N -1 3 388.476 0.505 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1)c1ccncc1 ZINC001574494861 950186977 /nfs/dbraw/zinc/18/69/77/950186977.db2.gz PILHOGSOUBANCG-OCCSQVGLSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1)c1ccncc1 ZINC001574494861 950186990 /nfs/dbraw/zinc/18/69/90/950186990.db2.gz PILHOGSOUBANCG-OCCSQVGLSA-N -1 3 382.428 0.740 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576191222 950187217 /nfs/dbraw/zinc/18/72/17/950187217.db2.gz HBZVNCKTNPDMJF-STQMWFEESA-N -1 3 382.432 0.450 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576191222 950187232 /nfs/dbraw/zinc/18/72/32/950187232.db2.gz HBZVNCKTNPDMJF-STQMWFEESA-N -1 3 382.432 0.450 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573844293 950189365 /nfs/dbraw/zinc/18/93/65/950189365.db2.gz DZXJUASXMCTBPX-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CCNC(=O)CN1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573844293 950189374 /nfs/dbraw/zinc/18/93/74/950189374.db2.gz DZXJUASXMCTBPX-ZDUSSCGKSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1CCCOCC1 ZINC001574982842 950189510 /nfs/dbraw/zinc/18/95/10/950189510.db2.gz HBSXYCSMTABQCH-VXGBXAGGSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1CCCOCC1 ZINC001574982842 950189517 /nfs/dbraw/zinc/18/95/17/950189517.db2.gz HBSXYCSMTABQCH-VXGBXAGGSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574494866 950189460 /nfs/dbraw/zinc/18/94/60/950189460.db2.gz PJUWYAONDCWQEX-ZJUUUORDSA-N -1 3 378.412 0.394 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)N(C)c1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574494866 950189474 /nfs/dbraw/zinc/18/94/74/950189474.db2.gz PJUWYAONDCWQEX-ZJUUUORDSA-N -1 3 378.412 0.394 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c(Cl)cnn1C ZINC001574739226 950191324 /nfs/dbraw/zinc/19/13/24/950191324.db2.gz NGCNHXZLAJOFOS-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c(Cl)cnn1C ZINC001574739226 950191341 /nfs/dbraw/zinc/19/13/41/950191341.db2.gz NGCNHXZLAJOFOS-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574494958 950192531 /nfs/dbraw/zinc/19/25/31/950192531.db2.gz QPFAKLRJJXXMFL-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574494958 950192542 /nfs/dbraw/zinc/19/25/42/950192542.db2.gz QPFAKLRJJXXMFL-DGCLKSJQSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001574982977 950193745 /nfs/dbraw/zinc/19/37/45/950193745.db2.gz ILSNTQRNTWMRKX-DGCLKSJQSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CC12CCOCC2 ZINC001574982977 950193760 /nfs/dbraw/zinc/19/37/60/950193760.db2.gz ILSNTQRNTWMRKX-DGCLKSJQSA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@]1(C)CCCOC1 ZINC001574983036 950195346 /nfs/dbraw/zinc/19/53/46/950195346.db2.gz JAUJRAQSOYDSFW-DIFFPNOSSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@]1(C)CCCOC1 ZINC001574983036 950195354 /nfs/dbraw/zinc/19/53/54/950195354.db2.gz JAUJRAQSOYDSFW-DIFFPNOSSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CN(c2ncccc2-c2nnn[n-]2)CC1(C)C)NC(N)=O ZINC001574495003 950195388 /nfs/dbraw/zinc/19/53/88/950195388.db2.gz RAWQCVPBMHDWLG-PWSUYJOCSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CN(c2ncccc2-c2nn[n-]n2)CC1(C)C)NC(N)=O ZINC001574495003 950195403 /nfs/dbraw/zinc/19/54/03/950195403.db2.gz RAWQCVPBMHDWLG-PWSUYJOCSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1ncnn1CCF ZINC001574739529 950197884 /nfs/dbraw/zinc/19/78/84/950197884.db2.gz RECGZZYHUPIYRB-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM CC(C)(C)CNC(=O)CN(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573844519 950198306 /nfs/dbraw/zinc/19/83/06/950198306.db2.gz AIVQFXJPBRQFRV-UHFFFAOYSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573844519 950198319 /nfs/dbraw/zinc/19/83/19/950198319.db2.gz AIVQFXJPBRQFRV-UHFFFAOYSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ncccc2F)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900524 950201016 /nfs/dbraw/zinc/20/10/16/950201016.db2.gz GSPVQVOMQAQOTC-JOYOIKCWSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ncccc2F)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900524 950201036 /nfs/dbraw/zinc/20/10/36/950201036.db2.gz GSPVQVOMQAQOTC-JOYOIKCWSA-N -1 3 384.375 0.762 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nc(C2CC2)nn1C ZINC001574739656 950201313 /nfs/dbraw/zinc/20/13/13/950201313.db2.gz UVISGYKRPRJBGU-JTQLQIEISA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574739605 950201650 /nfs/dbraw/zinc/20/16/50/950201650.db2.gz SWXVSGRFQVLHRI-QMMMGPOBSA-N -1 3 375.368 0.413 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574739605 950201661 /nfs/dbraw/zinc/20/16/61/950201661.db2.gz SWXVSGRFQVLHRI-QMMMGPOBSA-N -1 3 375.368 0.413 20 0 GCADHM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574495314 950203827 /nfs/dbraw/zinc/20/38/27/950203827.db2.gz SFEYFGIWTQLENJ-JGVFFNPUSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574495314 950203843 /nfs/dbraw/zinc/20/38/43/950203843.db2.gz SFEYFGIWTQLENJ-JGVFFNPUSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nc(C2CC2)nn1C ZINC001574739657 950203864 /nfs/dbraw/zinc/20/38/64/950203864.db2.gz UVISGYKRPRJBGU-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNC(=O)c1ccon1 ZINC001576191668 950206654 /nfs/dbraw/zinc/20/66/54/950206654.db2.gz IUTGABPYMGJFGQ-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNC(=O)c1ccon1 ZINC001576191668 950206672 /nfs/dbraw/zinc/20/66/72/950206672.db2.gz IUTGABPYMGJFGQ-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1ccnc1 ZINC001574496134 950210106 /nfs/dbraw/zinc/21/01/06/950210106.db2.gz VXDSZLJMEPMSPB-PWSUYJOCSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1ccnc1 ZINC001574496134 950210120 /nfs/dbraw/zinc/21/01/20/950210120.db2.gz VXDSZLJMEPMSPB-PWSUYJOCSA-N -1 3 389.395 0.138 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574496114 950210580 /nfs/dbraw/zinc/21/05/80/950210580.db2.gz VWMSIRKMZCJTAA-JQWIXIFHSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574496114 950210602 /nfs/dbraw/zinc/21/06/02/950210602.db2.gz VWMSIRKMZCJTAA-JQWIXIFHSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccco1 ZINC001574496116 950210737 /nfs/dbraw/zinc/21/07/37/950210737.db2.gz VWMSIRKMZCJTAA-PWSUYJOCSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccco1 ZINC001574496116 950210756 /nfs/dbraw/zinc/21/07/56/950210756.db2.gz VWMSIRKMZCJTAA-PWSUYJOCSA-N -1 3 387.400 0.189 20 0 GCADHM CC1(C(=O)NCC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC(F)(F)C1 ZINC001575586093 950212148 /nfs/dbraw/zinc/21/21/48/950212148.db2.gz HCXFPMLJNZCFCS-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001574496155 950211983 /nfs/dbraw/zinc/21/19/83/950211983.db2.gz VYICMDWYGVQULR-QWRGUYRKSA-N -1 3 387.400 0.189 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001574496155 950211996 /nfs/dbraw/zinc/21/19/96/950211996.db2.gz VYICMDWYGVQULR-QWRGUYRKSA-N -1 3 387.400 0.189 20 0 GCADHM CC1(C(=O)NCC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC(F)(F)C1 ZINC001575586093 950212166 /nfs/dbraw/zinc/21/21/66/950212166.db2.gz HCXFPMLJNZCFCS-UHFFFAOYSA-N -1 3 379.371 0.818 20 0 GCADHM CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)CN(C)C1CCC1 ZINC001574155846 950213946 /nfs/dbraw/zinc/21/39/46/950213946.db2.gz SFMIYIDZOHJREP-ZDUSSCGKSA-N -1 3 387.492 0.506 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)CCNC(=O)C1 ZINC001575586417 950217686 /nfs/dbraw/zinc/21/76/86/950217686.db2.gz HPUGKQKCZIGYOL-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)CCNC(=O)C1 ZINC001575586417 950217709 /nfs/dbraw/zinc/21/77/09/950217709.db2.gz HPUGKQKCZIGYOL-KZULUSFZSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)CCNC(=O)C1 ZINC001575586419 950219033 /nfs/dbraw/zinc/21/90/33/950219033.db2.gz HPUGKQKCZIGYOL-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)CCNC(=O)C1 ZINC001575586419 950219052 /nfs/dbraw/zinc/21/90/52/950219052.db2.gz HPUGKQKCZIGYOL-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)CCNC(=O)C1 ZINC001575586416 950219287 /nfs/dbraw/zinc/21/92/87/950219287.db2.gz HPUGKQKCZIGYOL-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)CCNC(=O)C1 ZINC001575586416 950219307 /nfs/dbraw/zinc/21/93/07/950219307.db2.gz HPUGKQKCZIGYOL-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574496998 950219891 /nfs/dbraw/zinc/21/98/91/950219891.db2.gz YCAVYQPRAHAREM-GHMZBOCLSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574496998 950219910 /nfs/dbraw/zinc/21/99/10/950219910.db2.gz YCAVYQPRAHAREM-GHMZBOCLSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575586750 950223034 /nfs/dbraw/zinc/22/30/34/950223034.db2.gz JKQLAOIWHYVYEE-UGSOOPFHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575586750 950223053 /nfs/dbraw/zinc/22/30/53/950223053.db2.gz JKQLAOIWHYVYEE-UGSOOPFHSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)c1cnn(C)c1 ZINC001574497047 950223104 /nfs/dbraw/zinc/22/31/04/950223104.db2.gz YNSRHYJWQZCDGO-RISCZKNCSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)c1cnn(C)c1 ZINC001574497047 950223123 /nfs/dbraw/zinc/22/31/23/950223123.db2.gz YNSRHYJWQZCDGO-RISCZKNCSA-N -1 3 385.432 0.078 20 0 GCADHM CC(C)(C)CCCC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573845355 950224289 /nfs/dbraw/zinc/22/42/89/950224289.db2.gz YAXBRXVDKXTJCX-LLVKDONJSA-N -1 3 377.449 0.618 20 0 GCADHM CC(C)(C)CCCC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573845355 950224309 /nfs/dbraw/zinc/22/43/09/950224309.db2.gz YAXBRXVDKXTJCX-LLVKDONJSA-N -1 3 377.449 0.618 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)(C)C ZINC001574497298 950227789 /nfs/dbraw/zinc/22/77/89/950227789.db2.gz ZCRBPQRVPJDMDP-WCQYABFASA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)(C)C ZINC001574497298 950227812 /nfs/dbraw/zinc/22/78/12/950227812.db2.gz ZCRBPQRVPJDMDP-WCQYABFASA-N -1 3 391.476 0.864 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)Cc1ccon1)C1CC1 ZINC001574983596 950229050 /nfs/dbraw/zinc/22/90/50/950229050.db2.gz QDIQINDMUKXBRV-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)Cc1ccon1)C1CC1 ZINC001574983596 950229068 /nfs/dbraw/zinc/22/90/68/950229068.db2.gz QDIQINDMUKXBRV-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCC1)n1ccnc1 ZINC001574497659 950231617 /nfs/dbraw/zinc/23/16/17/950231617.db2.gz ARICIMQKBOVZNJ-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@H](CC(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)n1ccnc1 ZINC001574497659 950231632 /nfs/dbraw/zinc/23/16/32/950231632.db2.gz ARICIMQKBOVZNJ-GFCCVEGCSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574741188 950232574 /nfs/dbraw/zinc/23/25/74/950232574.db2.gz HQQVVHZDRIUSGZ-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574740780 950232621 /nfs/dbraw/zinc/23/26/21/950232621.db2.gz GJMLMVSIANWTDB-OLZOCXBDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574740780 950232639 /nfs/dbraw/zinc/23/26/39/950232639.db2.gz GJMLMVSIANWTDB-OLZOCXBDSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575901619 950233128 /nfs/dbraw/zinc/23/31/28/950233128.db2.gz PBAQFJSDRDFRRN-CBAPKCEASA-N -1 3 388.413 0.390 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574156216 950233236 /nfs/dbraw/zinc/23/32/36/950233236.db2.gz ZDHQSSORKQCAOY-GFCCVEGCSA-N -1 3 383.416 0.602 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574156216 950233255 /nfs/dbraw/zinc/23/32/55/950233255.db2.gz ZDHQSSORKQCAOY-GFCCVEGCSA-N -1 3 383.416 0.602 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)CCNC(=O)C1 ZINC001575587829 950238480 /nfs/dbraw/zinc/23/84/80/950238480.db2.gz OOIZYSTXGLMOOL-PIGZYNQJSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)CCNC(=O)C1 ZINC001575587829 950238498 /nfs/dbraw/zinc/23/84/98/950238498.db2.gz OOIZYSTXGLMOOL-PIGZYNQJSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1ccnc1 ZINC001574497732 950239098 /nfs/dbraw/zinc/23/90/98/950239098.db2.gz BVEPHUNUTCHHDL-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CC(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1ccnc1 ZINC001574497732 950239108 /nfs/dbraw/zinc/23/91/08/950239108.db2.gz BVEPHUNUTCHHDL-NSHDSACASA-N -1 3 383.416 0.421 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cnc(Cl)n1C ZINC001574983806 950241453 /nfs/dbraw/zinc/24/14/53/950241453.db2.gz SQOUOMSPCSRDLV-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cnc(Cl)n1C ZINC001574983806 950241471 /nfs/dbraw/zinc/24/14/71/950241471.db2.gz SQOUOMSPCSRDLV-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)CCNC(=O)C1 ZINC001575587823 950241866 /nfs/dbraw/zinc/24/18/66/950241866.db2.gz OOIZYSTXGLMOOL-DIFFPNOSSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)CCNC(=O)C1 ZINC001575587823 950241887 /nfs/dbraw/zinc/24/18/87/950241887.db2.gz OOIZYSTXGLMOOL-DIFFPNOSSA-N -1 3 389.485 0.535 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576192425 950242220 /nfs/dbraw/zinc/24/22/20/950242220.db2.gz NYAKBIXRYXUUHR-MFKMUULPSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576192425 950242238 /nfs/dbraw/zinc/24/22/38/950242238.db2.gz NYAKBIXRYXUUHR-MFKMUULPSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575901840 950242908 /nfs/dbraw/zinc/24/29/08/950242908.db2.gz QOTGMAKZZNCGKF-PWSUYJOCSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575901840 950242924 /nfs/dbraw/zinc/24/29/24/950242924.db2.gz QOTGMAKZZNCGKF-PWSUYJOCSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576192428 950244030 /nfs/dbraw/zinc/24/40/30/950244030.db2.gz NYAKBIXRYXUUHR-ZWNOBZJWSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576192428 950244049 /nfs/dbraw/zinc/24/40/49/950244049.db2.gz NYAKBIXRYXUUHR-ZWNOBZJWSA-N -1 3 383.416 0.446 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573846212 950244748 /nfs/dbraw/zinc/24/47/48/950244748.db2.gz PBKKESBLGNJUGT-SDDRHHMPSA-N -1 3 389.460 0.474 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573846212 950244765 /nfs/dbraw/zinc/24/47/65/950244765.db2.gz PBKKESBLGNJUGT-SDDRHHMPSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574984013 950250838 /nfs/dbraw/zinc/25/08/38/950250838.db2.gz VKSFFMHFNBHWRP-JTQLQIEISA-N -1 3 388.407 0.695 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574984013 950250858 /nfs/dbraw/zinc/25/08/58/950250858.db2.gz VKSFFMHFNBHWRP-JTQLQIEISA-N -1 3 388.407 0.695 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001574741803 950253918 /nfs/dbraw/zinc/25/39/18/950253918.db2.gz CXQAAWMNUNXNMC-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001574741803 950253934 /nfs/dbraw/zinc/25/39/34/950253934.db2.gz CXQAAWMNUNXNMC-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2csc(=O)[nH]2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575902277 950254750 /nfs/dbraw/zinc/25/47/50/950254750.db2.gz UGRBPLVFTICBMT-BDAKNGLRSA-N -1 3 387.429 0.606 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575902297 950256727 /nfs/dbraw/zinc/25/67/27/950256727.db2.gz ULQLOTLOUJSTLY-BDAKNGLRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cnsn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575902297 950256749 /nfs/dbraw/zinc/25/67/49/950256749.db2.gz ULQLOTLOUJSTLY-BDAKNGLRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1ncccn1)C1CC1 ZINC001574984070 950256994 /nfs/dbraw/zinc/25/69/94/950256994.db2.gz WFIOHKNWLLJBGU-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1ncccn1)C1CC1 ZINC001574984070 950257017 /nfs/dbraw/zinc/25/70/17/950257017.db2.gz WFIOHKNWLLJBGU-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001573849872 950264471 /nfs/dbraw/zinc/26/44/71/950264471.db2.gz DPKLJWADQAQMFT-UONOGXRCSA-N -1 3 392.485 0.804 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001573849872 950264488 /nfs/dbraw/zinc/26/44/88/950264488.db2.gz DPKLJWADQAQMFT-UONOGXRCSA-N -1 3 392.485 0.804 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001574498154 950265008 /nfs/dbraw/zinc/26/50/08/950265008.db2.gz KNKPVCXGLVNVLM-VXNVDRBHSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001574498154 950265027 /nfs/dbraw/zinc/26/50/27/950265027.db2.gz KNKPVCXGLVNVLM-VXNVDRBHSA-N -1 3 391.329 0.878 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574984426 950270484 /nfs/dbraw/zinc/27/04/84/950270484.db2.gz ZMBYGQPJLMVFSO-ZBINZKHDSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574984426 950270505 /nfs/dbraw/zinc/27/05/05/950270505.db2.gz ZMBYGQPJLMVFSO-ZBINZKHDSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001574984414 950270536 /nfs/dbraw/zinc/27/05/36/950270536.db2.gz ZHJJLYAGZRSIRR-BBATYDOGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)C[C@@H]1CCOC1)C1CC1 ZINC001574984414 950270564 /nfs/dbraw/zinc/27/05/64/950270564.db2.gz ZHJJLYAGZRSIRR-BBATYDOGSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1ccnc1 ZINC001574498430 950274303 /nfs/dbraw/zinc/27/43/03/950274303.db2.gz NGHNWANTBCTNNX-NWDGAFQWSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1ccnc1 ZINC001574498430 950274324 /nfs/dbraw/zinc/27/43/24/950274324.db2.gz NGHNWANTBCTNNX-NWDGAFQWSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)Cc1ncccc1F ZINC001574987208 950278839 /nfs/dbraw/zinc/27/88/39/950278839.db2.gz AKWLYGGZEJRIGA-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)Cc1ncccc1F ZINC001574987208 950278857 /nfs/dbraw/zinc/27/88/57/950278857.db2.gz AKWLYGGZEJRIGA-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574742375 950281716 /nfs/dbraw/zinc/28/17/16/950281716.db2.gz KKGAIKDNFVRVOO-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574742375 950281737 /nfs/dbraw/zinc/28/17/37/950281737.db2.gz KKGAIKDNFVRVOO-KVMADOOQSA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001574987201 950282568 /nfs/dbraw/zinc/28/25/68/950282568.db2.gz AIQLJMAHFGKRSL-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cnc(C2CC2)o1 ZINC001574987201 950282590 /nfs/dbraw/zinc/28/25/90/950282590.db2.gz AIQLJMAHFGKRSL-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574742394 950284016 /nfs/dbraw/zinc/28/40/16/950284016.db2.gz KLIGYAWRQVFHIJ-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574742394 950284028 /nfs/dbraw/zinc/28/40/28/950284028.db2.gz KLIGYAWRQVFHIJ-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1nccn1C ZINC001574742338 950284907 /nfs/dbraw/zinc/28/49/07/950284907.db2.gz JXUNGQQPGCKYSW-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1nccn1C ZINC001574742338 950284926 /nfs/dbraw/zinc/28/49/26/950284926.db2.gz JXUNGQQPGCKYSW-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573851169 950290028 /nfs/dbraw/zinc/29/00/28/950290028.db2.gz TWTWMJRVCXOUPO-GFCCVEGCSA-N -1 3 386.412 0.678 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573851169 950290046 /nfs/dbraw/zinc/29/00/46/950290046.db2.gz TWTWMJRVCXOUPO-GFCCVEGCSA-N -1 3 386.412 0.678 20 0 GCADHM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001573851402 950291477 /nfs/dbraw/zinc/29/14/77/950291477.db2.gz XREPFYGRMRQGEM-PXAZEXFGSA-N -1 3 377.401 0.109 20 0 GCADHM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001573851402 950291500 /nfs/dbraw/zinc/29/15/00/950291500.db2.gz XREPFYGRMRQGEM-PXAZEXFGSA-N -1 3 377.401 0.109 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCCO2)CCOC1 ZINC001575592593 950292048 /nfs/dbraw/zinc/29/20/48/950292048.db2.gz CDDOXIYXWZVFHR-RDTXWAMCSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCCO2)CCOC1 ZINC001575592593 950292062 /nfs/dbraw/zinc/29/20/62/950292062.db2.gz CDDOXIYXWZVFHR-RDTXWAMCSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574987467 950292708 /nfs/dbraw/zinc/29/27/08/950292708.db2.gz DTHZJCKFNYINDX-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574987467 950292728 /nfs/dbraw/zinc/29/27/28/950292728.db2.gz DTHZJCKFNYINDX-NEPJUHHUSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@@]1(C(=O)NCC=CCNc2ccc(-c3nnn[n-]3)nc2)CCCS1(=O)=O ZINC001575592506 950293160 /nfs/dbraw/zinc/29/31/60/950293160.db2.gz BIMQGTSXUMFAKQ-KZSQQDEKSA-N -1 3 391.457 0.313 20 0 GCADHM C[C@@]1(C(=O)NCC=CCNc2ccc(-c3nn[n-]n3)nc2)CCCS1(=O)=O ZINC001575592506 950293172 /nfs/dbraw/zinc/29/31/72/950293172.db2.gz BIMQGTSXUMFAKQ-KZSQQDEKSA-N -1 3 391.457 0.313 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2COCCN2c2cccc(F)c2-c2nnn[n-]2)CCOC1 ZINC001575592985 950302723 /nfs/dbraw/zinc/30/27/23/950302723.db2.gz DLBIWHJSQRYBKH-SGTLLEGYSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2COCCN2c2cccc(F)c2-c2nn[n-]n2)CCOC1 ZINC001575592985 950302739 /nfs/dbraw/zinc/30/27/39/950302739.db2.gz DLBIWHJSQRYBKH-SGTLLEGYSA-N -1 3 390.419 0.754 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H](C)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574742697 950303892 /nfs/dbraw/zinc/30/38/92/950303892.db2.gz OGZANSBWJJXTJN-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@H](C)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574742697 950303911 /nfs/dbraw/zinc/30/39/11/950303911.db2.gz OGZANSBWJJXTJN-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(c1nnccc1-c1nnn[n-]1)CCO2 ZINC001573852406 950305737 /nfs/dbraw/zinc/30/57/37/950305737.db2.gz HQKFMNNUPWCIKD-KRWDZBQOSA-N -1 3 388.432 0.873 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(c1nnccc1-c1nn[n-]n1)CCO2 ZINC001573852406 950305764 /nfs/dbraw/zinc/30/57/64/950305764.db2.gz HQKFMNNUPWCIKD-KRWDZBQOSA-N -1 3 388.432 0.873 20 0 GCADHM CC1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001575593193 950305702 /nfs/dbraw/zinc/30/57/02/950305702.db2.gz MLCGUIOSNJKDLW-UHFFFAOYSA-N -1 3 375.433 0.326 20 0 GCADHM CC1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001575593193 950305721 /nfs/dbraw/zinc/30/57/21/950305721.db2.gz MLCGUIOSNJKDLW-UHFFFAOYSA-N -1 3 375.433 0.326 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCCn1cccn1 ZINC001574988003 950308296 /nfs/dbraw/zinc/30/82/96/950308296.db2.gz KKCQLPGNQSLOBR-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCCn1cccn1 ZINC001574988003 950308318 /nfs/dbraw/zinc/30/83/18/950308318.db2.gz KKCQLPGNQSLOBR-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574743024 950311678 /nfs/dbraw/zinc/31/16/78/950311678.db2.gz RHTIOYXPBIDNCX-MRVPVSSYSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574743024 950311699 /nfs/dbraw/zinc/31/16/99/950311699.db2.gz RHTIOYXPBIDNCX-MRVPVSSYSA-N -1 3 387.379 0.400 20 0 GCADHM C[C@]1(C(=O)NCC[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575593493 950312938 /nfs/dbraw/zinc/31/29/38/950312938.db2.gz GHRVLHYFYKYUBX-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)NCC[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575593493 950312961 /nfs/dbraw/zinc/31/29/61/950312961.db2.gz GHRVLHYFYKYUBX-SGTLLEGYSA-N -1 3 387.444 0.590 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)ccn2)C1 ZINC001573853122 950318472 /nfs/dbraw/zinc/31/84/72/950318472.db2.gz LGCPYUFRGZNHDZ-QGZVFWFLSA-N -1 3 389.416 0.363 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)ccn2)C1 ZINC001573853122 950318492 /nfs/dbraw/zinc/31/84/92/950318492.db2.gz LGCPYUFRGZNHDZ-QGZVFWFLSA-N -1 3 389.416 0.363 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574501069 950320822 /nfs/dbraw/zinc/32/08/22/950320822.db2.gz AWBAUWCIDHKCAD-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574501069 950320843 /nfs/dbraw/zinc/32/08/43/950320843.db2.gz AWBAUWCIDHKCAD-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cnn(C)c1 ZINC001574743413 950322579 /nfs/dbraw/zinc/32/25/79/950322579.db2.gz SJUXLWAHVSCIGJ-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cnn(C)c1 ZINC001574743413 950322598 /nfs/dbraw/zinc/32/25/98/950322598.db2.gz SJUXLWAHVSCIGJ-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@]1(C(=O)NCCC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575593971 950324519 /nfs/dbraw/zinc/32/45/19/950324519.db2.gz IPOSPDCRRUQXIJ-QGZVFWFLSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@@]1(C(=O)NCCC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575593971 950324542 /nfs/dbraw/zinc/32/45/42/950324542.db2.gz IPOSPDCRRUQXIJ-QGZVFWFLSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCC1CCOCC1 ZINC001574743379 950324769 /nfs/dbraw/zinc/32/47/69/950324769.db2.gz SGRPKMSSMKUWMR-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCC1CCOCC1 ZINC001574743379 950324791 /nfs/dbraw/zinc/32/47/91/950324791.db2.gz SGRPKMSSMKUWMR-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576194057 950325041 /nfs/dbraw/zinc/32/50/41/950325041.db2.gz YCSMYVQIKJTUFA-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNC(=O)c1cnco1 ZINC001576194057 950325064 /nfs/dbraw/zinc/32/50/64/950325064.db2.gz YCSMYVQIKJTUFA-JQWIXIFHSA-N -1 3 384.400 0.711 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)ccn2)[C@@H](O)C1 ZINC001573853500 950325910 /nfs/dbraw/zinc/32/59/10/950325910.db2.gz QKJBDJSNZAAPKT-AAEUAGOBSA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)ccn2)[C@@H](O)C1 ZINC001573853500 950325932 /nfs/dbraw/zinc/32/59/32/950325932.db2.gz QKJBDJSNZAAPKT-AAEUAGOBSA-N -1 3 389.416 0.362 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574501320 950328752 /nfs/dbraw/zinc/32/87/52/950328752.db2.gz CYCSRXQAUPZNMK-ZYHUDNBSSA-N -1 3 390.423 0.143 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)ccn2)[C@H](O)C1 ZINC001573853503 950328801 /nfs/dbraw/zinc/32/88/01/950328801.db2.gz QKJBDJSNZAAPKT-WCQYABFASA-N -1 3 389.416 0.362 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)ccn2)[C@H](O)C1 ZINC001573853503 950328818 /nfs/dbraw/zinc/32/88/18/950328818.db2.gz QKJBDJSNZAAPKT-WCQYABFASA-N -1 3 389.416 0.362 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574501320 950328774 /nfs/dbraw/zinc/32/87/74/950328774.db2.gz CYCSRXQAUPZNMK-ZYHUDNBSSA-N -1 3 390.423 0.143 20 0 GCADHM CC(C)(C)OC(=O)N(CCO)C1CCN(c2ncncc2-c2nnn[n-]2)CC1 ZINC001573853950 950330814 /nfs/dbraw/zinc/33/08/14/950330814.db2.gz VFZKVOILPJYBAM-UHFFFAOYSA-N -1 3 390.448 0.855 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cnccn1 ZINC001574743698 950332288 /nfs/dbraw/zinc/33/22/88/950332288.db2.gz VNSFVSHSBFMUBV-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cnccn1 ZINC001574743698 950332310 /nfs/dbraw/zinc/33/23/10/950332310.db2.gz VNSFVSHSBFMUBV-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1nn(C)cc1Cl ZINC001574988368 950332867 /nfs/dbraw/zinc/33/28/67/950332867.db2.gz QJRXGMTYFOYZIA-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1nn(C)cc1Cl ZINC001574988368 950332890 /nfs/dbraw/zinc/33/28/90/950332890.db2.gz QJRXGMTYFOYZIA-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574501645 950334794 /nfs/dbraw/zinc/33/47/94/950334794.db2.gz FSHSCTXBAPXGDV-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574501645 950334812 /nfs/dbraw/zinc/33/48/12/950334812.db2.gz FSHSCTXBAPXGDV-RISCZKNCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574501643 950337030 /nfs/dbraw/zinc/33/70/30/950337030.db2.gz FSHSCTXBAPXGDV-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574501643 950337052 /nfs/dbraw/zinc/33/70/52/950337052.db2.gz FSHSCTXBAPXGDV-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H](C)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[nH]n1 ZINC001574743999 950341557 /nfs/dbraw/zinc/34/15/57/950341557.db2.gz VZNWDGFLNMKBID-SNVBAGLBSA-N -1 3 385.432 0.932 20 0 GCADHM CC(C)c1cc(C(=O)N[C@H](C)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]n1 ZINC001574743999 950341581 /nfs/dbraw/zinc/34/15/81/950341581.db2.gz VZNWDGFLNMKBID-SNVBAGLBSA-N -1 3 385.432 0.932 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576194365 950342711 /nfs/dbraw/zinc/34/27/11/950342711.db2.gz ZMEMOPKEAYKFRZ-TZMCWYRMSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576194365 950342731 /nfs/dbraw/zinc/34/27/31/950342731.db2.gz ZMEMOPKEAYKFRZ-TZMCWYRMSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNC(=O)c1cocn1 ZINC001576194422 950343280 /nfs/dbraw/zinc/34/32/80/950343280.db2.gz ZUMRCYZMIPCWGU-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNC(=O)c1cocn1 ZINC001576194422 950343296 /nfs/dbraw/zinc/34/32/96/950343296.db2.gz ZUMRCYZMIPCWGU-PWSUYJOCSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001574988675 950343915 /nfs/dbraw/zinc/34/39/15/950343915.db2.gz UFWJVJREJMGVSB-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001574988675 950343930 /nfs/dbraw/zinc/34/39/30/950343930.db2.gz UFWJVJREJMGVSB-GTNSWQLSSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574988753 950344943 /nfs/dbraw/zinc/34/49/43/950344943.db2.gz UOQQGQQTYMJSJU-DGCLKSJQSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001574988753 950344965 /nfs/dbraw/zinc/34/49/65/950344965.db2.gz UOQQGQQTYMJSJU-DGCLKSJQSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001574501946 950347041 /nfs/dbraw/zinc/34/70/41/950347041.db2.gz HWMIRHDNMSPHCA-BXUZGUMPSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001574501946 950347060 /nfs/dbraw/zinc/34/70/60/950347060.db2.gz HWMIRHDNMSPHCA-BXUZGUMPSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCOCC1 ZINC001574744281 950349235 /nfs/dbraw/zinc/34/92/35/950349235.db2.gz YGECUBFRGOHRMO-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCOCC1 ZINC001574744281 950349254 /nfs/dbraw/zinc/34/92/54/950349254.db2.gz YGECUBFRGOHRMO-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@]1(C(=O)NCCC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575595223 950352495 /nfs/dbraw/zinc/35/24/95/950352495.db2.gz NQRNJAGXWXNCEK-KRWDZBQOSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@]1(C(=O)NCCC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575595223 950352512 /nfs/dbraw/zinc/35/25/12/950352512.db2.gz NQRNJAGXWXNCEK-KRWDZBQOSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)CCO2)CCOC1 ZINC001575595307 950354063 /nfs/dbraw/zinc/35/40/63/950354063.db2.gz OFMZQWNWQXASBE-KZULUSFZSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)CCO2)CCOC1 ZINC001575595307 950354080 /nfs/dbraw/zinc/35/40/80/950354080.db2.gz OFMZQWNWQXASBE-KZULUSFZSA-N -1 3 390.419 0.754 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1ccccn1 ZINC001574989010 950354663 /nfs/dbraw/zinc/35/46/63/950354663.db2.gz XDZPCWNDWCSQCN-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1ccccn1 ZINC001574989010 950354686 /nfs/dbraw/zinc/35/46/86/950354686.db2.gz XDZPCWNDWCSQCN-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM CC1(C(=O)NCCN2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)CCC1 ZINC001575595401 950358164 /nfs/dbraw/zinc/35/81/64/950358164.db2.gz ZGJRCSWPTXFREA-UHFFFAOYSA-N -1 3 388.451 0.829 20 0 GCADHM CC1(C(=O)NCCN2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)CCC1 ZINC001575595401 950358188 /nfs/dbraw/zinc/35/81/88/950358188.db2.gz ZGJRCSWPTXFREA-UHFFFAOYSA-N -1 3 388.451 0.829 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001574989438 950361090 /nfs/dbraw/zinc/36/10/90/950361090.db2.gz ZEIXTMWGFBUYEZ-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@@H]1CCOC1 ZINC001574989438 950361106 /nfs/dbraw/zinc/36/11/06/950361106.db2.gz ZEIXTMWGFBUYEZ-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001573855264 950364452 /nfs/dbraw/zinc/36/44/52/950364452.db2.gz NXIPMGBPZNLDCC-GFCCVEGCSA-N -1 3 379.446 0.330 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1c(Cl)cnn1C ZINC001574989504 950364666 /nfs/dbraw/zinc/36/46/66/950364666.db2.gz ZXTVPAFMQSMEGL-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1c(Cl)cnn1C ZINC001574989504 950364700 /nfs/dbraw/zinc/36/47/00/950364700.db2.gz ZXTVPAFMQSMEGL-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001573855264 950364472 /nfs/dbraw/zinc/36/44/72/950364472.db2.gz NXIPMGBPZNLDCC-GFCCVEGCSA-N -1 3 379.446 0.330 20 0 GCADHM C[C@H](CCNC(=O)C[C@H](C)NC(N)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574502176 950365302 /nfs/dbraw/zinc/36/53/02/950365302.db2.gz KCJNUWFMGXPOBA-ZJUUUORDSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@H](CCNC(=O)C[C@H](C)NC(N)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574502176 950365320 /nfs/dbraw/zinc/36/53/20/950365320.db2.gz KCJNUWFMGXPOBA-ZJUUUORDSA-N -1 3 378.412 0.759 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)CCOC1 ZINC001575596013 950366373 /nfs/dbraw/zinc/36/63/73/950366373.db2.gz RLHGVSYIXJGBLR-SJCJKPOMSA-N -1 3 392.485 0.672 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cncnc1 ZINC001574989489 950366873 /nfs/dbraw/zinc/36/68/73/950366873.db2.gz ZUNYZTYWMDQTKK-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cncnc1 ZINC001574989489 950366890 /nfs/dbraw/zinc/36/68/90/950366890.db2.gz ZUNYZTYWMDQTKK-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nnc2n1CCCC2 ZINC001574990538 950371259 /nfs/dbraw/zinc/37/12/59/950371259.db2.gz COLZAOBSUASMRG-NSHDSACASA-N -1 3 384.448 0.373 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nnc2n1CCCC2 ZINC001574990538 950371275 /nfs/dbraw/zinc/37/12/75/950371275.db2.gz COLZAOBSUASMRG-NSHDSACASA-N -1 3 384.448 0.373 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1cncc(F)c1 ZINC001574990380 950371671 /nfs/dbraw/zinc/37/16/71/950371671.db2.gz AZGDIHPUQWUBCU-JTQLQIEISA-N -1 3 386.391 0.596 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1cncc(F)c1 ZINC001574990380 950371692 /nfs/dbraw/zinc/37/16/92/950371692.db2.gz AZGDIHPUQWUBCU-JTQLQIEISA-N -1 3 386.391 0.596 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574502334 950372987 /nfs/dbraw/zinc/37/29/87/950372987.db2.gz LZNRPKXJSMITKD-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574502334 950373006 /nfs/dbraw/zinc/37/30/06/950373006.db2.gz LZNRPKXJSMITKD-JSGCOSHPSA-N -1 3 382.428 0.978 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574162085 950373267 /nfs/dbraw/zinc/37/32/67/950373267.db2.gz YXISLQYUHJDCAN-OLZOCXBDSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001574162085 950373285 /nfs/dbraw/zinc/37/32/85/950373285.db2.gz YXISLQYUHJDCAN-OLZOCXBDSA-N -1 3 386.460 0.731 20 0 GCADHM CC1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001575596543 950377705 /nfs/dbraw/zinc/37/77/05/950377705.db2.gz FMNKSOSHRRIZTF-TXEJJXNPSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001575596543 950377722 /nfs/dbraw/zinc/37/77/22/950377722.db2.gz FMNKSOSHRRIZTF-TXEJJXNPSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001574502479 950378044 /nfs/dbraw/zinc/37/80/44/950378044.db2.gz NWIIHMMYRQHSJY-LLVKDONJSA-N -1 3 385.432 0.310 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001574502479 950378066 /nfs/dbraw/zinc/37/80/66/950378066.db2.gz NWIIHMMYRQHSJY-LLVKDONJSA-N -1 3 385.432 0.310 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1ncnn1CCF ZINC001574990642 950378558 /nfs/dbraw/zinc/37/85/58/950378558.db2.gz DPHXMBWISCQIIP-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1ncnn1CCF ZINC001574990642 950378582 /nfs/dbraw/zinc/37/85/82/950378582.db2.gz DPHXMBWISCQIIP-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574162147 950381378 /nfs/dbraw/zinc/38/13/78/950381378.db2.gz ZWKJMMWYIZYJJP-JQWIXIFHSA-N -1 3 391.411 0.025 20 0 GCADHM CC(C)C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574162147 950381396 /nfs/dbraw/zinc/38/13/96/950381396.db2.gz ZWKJMMWYIZYJJP-JQWIXIFHSA-N -1 3 391.411 0.025 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001573855536 950382839 /nfs/dbraw/zinc/38/28/39/950382839.db2.gz XOQIBFWBVZWPHQ-NSHDSACASA-N -1 3 379.446 0.330 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001573855536 950382852 /nfs/dbraw/zinc/38/28/52/950382852.db2.gz XOQIBFWBVZWPHQ-NSHDSACASA-N -1 3 379.446 0.330 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573856495 950384120 /nfs/dbraw/zinc/38/41/20/950384120.db2.gz APWKSLACOJESQU-QGZVFWFLSA-N -1 3 391.432 0.951 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573856495 950384141 /nfs/dbraw/zinc/38/41/41/950384141.db2.gz APWKSLACOJESQU-QGZVFWFLSA-N -1 3 391.432 0.951 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001574991152 950385590 /nfs/dbraw/zinc/38/55/90/950385590.db2.gz HVNGJRPOOLHPFL-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001574991152 950385614 /nfs/dbraw/zinc/38/56/14/950385614.db2.gz HVNGJRPOOLHPFL-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1ncnn1C(C)(C)C ZINC001574991142 950386070 /nfs/dbraw/zinc/38/60/70/950386070.db2.gz HNVLDFRDKFCUSO-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1ncnn1C(C)(C)C ZINC001574991142 950386084 /nfs/dbraw/zinc/38/60/84/950386084.db2.gz HNVLDFRDKFCUSO-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909047 950387132 /nfs/dbraw/zinc/38/71/32/950387132.db2.gz FNUZGHIYQHDLPL-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCS(C)(=O)=O ZINC001575909047 950387148 /nfs/dbraw/zinc/38/71/48/950387148.db2.gz FNUZGHIYQHDLPL-JQWIXIFHSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1ncnn1CCF ZINC001574745439 950388010 /nfs/dbraw/zinc/38/80/10/950388010.db2.gz JQBNIIHBAPTISC-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1ncnn1CCF ZINC001574745439 950388030 /nfs/dbraw/zinc/38/80/30/950388030.db2.gz JQBNIIHBAPTISC-SNVBAGLBSA-N -1 3 376.400 0.006 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574745850 950390261 /nfs/dbraw/zinc/39/02/61/950390261.db2.gz LCBPWQOEMLQKLA-LLVKDONJSA-N -1 3 385.432 0.884 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574745850 950390278 /nfs/dbraw/zinc/39/02/78/950390278.db2.gz LCBPWQOEMLQKLA-LLVKDONJSA-N -1 3 385.432 0.884 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nsc(N(C)C)n1 ZINC001574745864 950390933 /nfs/dbraw/zinc/39/09/33/950390933.db2.gz LGYLWZJICSJYKD-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nsc(N(C)C)n1 ZINC001574745864 950390954 /nfs/dbraw/zinc/39/09/54/950390954.db2.gz LGYLWZJICSJYKD-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)CCCOC1 ZINC001575596988 950393331 /nfs/dbraw/zinc/39/33/31/950393331.db2.gz WPWIWYJUHZQQLO-SCLBCKFNSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)CCCOC1 ZINC001575596988 950393353 /nfs/dbraw/zinc/39/33/53/950393353.db2.gz WPWIWYJUHZQQLO-SCLBCKFNSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574502885 950394263 /nfs/dbraw/zinc/39/42/63/950394263.db2.gz RNTGFPVWUBMXDF-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574502885 950394283 /nfs/dbraw/zinc/39/42/83/950394283.db2.gz RNTGFPVWUBMXDF-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001574991199 950394714 /nfs/dbraw/zinc/39/47/14/950394714.db2.gz IOUBEELDKWTSAG-GHMZBOCLSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)Cc1cnn(C)c1 ZINC001574991199 950394732 /nfs/dbraw/zinc/39/47/32/950394732.db2.gz IOUBEELDKWTSAG-GHMZBOCLSA-N -1 3 385.432 0.042 20 0 GCADHM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001573856753 950395253 /nfs/dbraw/zinc/39/52/53/950395253.db2.gz HTLJHCALZMJHJX-JTQLQIEISA-N -1 3 386.376 0.743 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)CO1 ZINC001573857097 950397751 /nfs/dbraw/zinc/39/77/51/950397751.db2.gz NRWRQRAJQINBBK-LLVKDONJSA-N -1 3 390.404 0.341 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)CO1 ZINC001573857097 950397772 /nfs/dbraw/zinc/39/77/72/950397772.db2.gz NRWRQRAJQINBBK-LLVKDONJSA-N -1 3 390.404 0.341 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1ccnc1 ZINC001574502876 950397829 /nfs/dbraw/zinc/39/78/29/950397829.db2.gz RJFMGMWHVKLTCU-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COCc1ccncc1 ZINC001574991346 950398946 /nfs/dbraw/zinc/39/89/46/950398946.db2.gz KOABEUYDXPTWBU-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COCc1ccncc1 ZINC001574991346 950398969 /nfs/dbraw/zinc/39/89/69/950398969.db2.gz KOABEUYDXPTWBU-LLVKDONJSA-N -1 3 384.400 0.041 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574746803 950401624 /nfs/dbraw/zinc/40/16/24/950401624.db2.gz PKEDRCNVOVKNMK-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574746803 950401635 /nfs/dbraw/zinc/40/16/35/950401635.db2.gz PKEDRCNVOVKNMK-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574747508 950408106 /nfs/dbraw/zinc/40/81/06/950408106.db2.gz SYFVUQVRXKVCLW-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574747508 950408123 /nfs/dbraw/zinc/40/81/23/950408123.db2.gz SYFVUQVRXKVCLW-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)COc2ccccc2-c2nnn[n-]2)CO1 ZINC001573857538 950408467 /nfs/dbraw/zinc/40/84/67/950408467.db2.gz VDQLDWKSXYQVHO-NSHDSACASA-N -1 3 390.400 0.913 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)COc2ccccc2-c2nn[n-]n2)CO1 ZINC001573857538 950408482 /nfs/dbraw/zinc/40/84/82/950408482.db2.gz VDQLDWKSXYQVHO-NSHDSACASA-N -1 3 390.400 0.913 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001574503453 950410659 /nfs/dbraw/zinc/41/06/59/950410659.db2.gz WLICTIRIFNNAOK-RISCZKNCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001574503453 950410673 /nfs/dbraw/zinc/41/06/73/950410673.db2.gz WLICTIRIFNNAOK-RISCZKNCSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575597380 950410662 /nfs/dbraw/zinc/41/06/62/950410662.db2.gz PYQABDXZTCXIEU-AEDCBLDQSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575597380 950410672 /nfs/dbraw/zinc/41/06/72/950410672.db2.gz PYQABDXZTCXIEU-AEDCBLDQSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574747555 950411062 /nfs/dbraw/zinc/41/10/62/950411062.db2.gz UCYGUVUSLZOVPV-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nnsc1Cl ZINC001574747534 950411199 /nfs/dbraw/zinc/41/11/99/950411199.db2.gz TWABHUMNEBIWBQ-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nnsc1Cl ZINC001574747534 950411212 /nfs/dbraw/zinc/41/12/12/950411212.db2.gz TWABHUMNEBIWBQ-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001574503451 950411427 /nfs/dbraw/zinc/41/14/27/950411427.db2.gz WLICTIRIFNNAOK-BXUZGUMPSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CC(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001574503451 950411434 /nfs/dbraw/zinc/41/14/34/950411434.db2.gz WLICTIRIFNNAOK-BXUZGUMPSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001573857758 950411660 /nfs/dbraw/zinc/41/16/60/950411660.db2.gz ZQIRBMBYTOZARA-QWHCGFSZSA-N -1 3 390.400 0.567 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001573857758 950411664 /nfs/dbraw/zinc/41/16/64/950411664.db2.gz ZQIRBMBYTOZARA-QWHCGFSZSA-N -1 3 390.400 0.567 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnoc1C1CC1 ZINC001574747709 950412190 /nfs/dbraw/zinc/41/21/90/950412190.db2.gz VNYUZESZMOHEET-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnoc1C1CC1 ZINC001574747709 950412201 /nfs/dbraw/zinc/41/22/01/950412201.db2.gz VNYUZESZMOHEET-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CO1 ZINC001573857759 950413788 /nfs/dbraw/zinc/41/37/88/950413788.db2.gz ZQIRBMBYTOZARA-STQMWFEESA-N -1 3 390.400 0.567 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CO1 ZINC001573857759 950413799 /nfs/dbraw/zinc/41/37/99/950413799.db2.gz ZQIRBMBYTOZARA-STQMWFEESA-N -1 3 390.400 0.567 20 0 GCADHM CC(C)(C)OC(=O)NCCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001573860029 950414607 /nfs/dbraw/zinc/41/46/07/950414607.db2.gz ARFYVLMLKAVJAG-UHFFFAOYSA-N -1 3 378.393 0.447 20 0 GCADHM CC(C)(C)OC(=O)NCCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001573860029 950414617 /nfs/dbraw/zinc/41/46/17/950414617.db2.gz ARFYVLMLKAVJAG-UHFFFAOYSA-N -1 3 378.393 0.447 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574503472 950414583 /nfs/dbraw/zinc/41/45/83/950414583.db2.gz WYMBWJKNJIWHMJ-ZYHUDNBSSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(N)=O ZINC001574503472 950414595 /nfs/dbraw/zinc/41/45/95/950414595.db2.gz WYMBWJKNJIWHMJ-ZYHUDNBSSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574503707 950417411 /nfs/dbraw/zinc/41/74/11/950417411.db2.gz YWSYQNXZCHGWKM-NEPJUHHUSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574503707 950417427 /nfs/dbraw/zinc/41/74/27/950417427.db2.gz YWSYQNXZCHGWKM-NEPJUHHUSA-N -1 3 387.448 0.184 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001574991853 950421192 /nfs/dbraw/zinc/42/11/92/950421192.db2.gz SPLVKCOZKBMYLV-CABZTGNLSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCc2c[nH]nc21 ZINC001574991853 950421200 /nfs/dbraw/zinc/42/12/00/950421200.db2.gz SPLVKCOZKBMYLV-CABZTGNLSA-N -1 3 383.416 0.273 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574163390 950421268 /nfs/dbraw/zinc/42/12/68/950421268.db2.gz TTWCNPWROVPJGS-SGTLLEGYSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574163390 950421277 /nfs/dbraw/zinc/42/12/77/950421277.db2.gz TTWCNPWROVPJGS-SGTLLEGYSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573860376 950421981 /nfs/dbraw/zinc/42/19/81/950421981.db2.gz IBGGIBJPRTVJKE-UHFFFAOYSA-N -1 3 391.432 0.687 20 0 GCADHM CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573860376 950422001 /nfs/dbraw/zinc/42/20/01/950422001.db2.gz IBGGIBJPRTVJKE-UHFFFAOYSA-N -1 3 391.432 0.687 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001573860320 950422404 /nfs/dbraw/zinc/42/24/04/950422404.db2.gz FUNOICXZKHNXOP-LBPRGKRZSA-N -1 3 380.380 0.508 20 0 GCADHM CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001573860320 950422418 /nfs/dbraw/zinc/42/24/18/950422418.db2.gz FUNOICXZKHNXOP-LBPRGKRZSA-N -1 3 380.380 0.508 20 0 GCADHM CC(C)CC1(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001574163404 950423433 /nfs/dbraw/zinc/42/34/33/950423433.db2.gz UCRLDSUTWTWGEV-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)CC1(C(=O)N2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001574163404 950423455 /nfs/dbraw/zinc/42/34/55/950423455.db2.gz UCRLDSUTWTWGEV-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575599017 950424699 /nfs/dbraw/zinc/42/46/99/950424699.db2.gz ASBYJSSECRJXIG-SEDUGSJDSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575599017 950424710 /nfs/dbraw/zinc/42/47/10/950424710.db2.gz ASBYJSSECRJXIG-SEDUGSJDSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574991962 950427856 /nfs/dbraw/zinc/42/78/56/950427856.db2.gz UIUCQDQPGJKGOG-GXSJLCMTSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001574991962 950427867 /nfs/dbraw/zinc/42/78/67/950427867.db2.gz UIUCQDQPGJKGOG-GXSJLCMTSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575910724 950430579 /nfs/dbraw/zinc/43/05/79/950430579.db2.gz BHENLTWMHJFLTE-JSGCOSHPSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575910724 950430592 /nfs/dbraw/zinc/43/05/92/950430592.db2.gz BHENLTWMHJFLTE-JSGCOSHPSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCOC1 ZINC001574750556 950431417 /nfs/dbraw/zinc/43/14/17/950431417.db2.gz CRQSESSOWYGDLW-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCOC1 ZINC001574750556 950431436 /nfs/dbraw/zinc/43/14/36/950431436.db2.gz CRQSESSOWYGDLW-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575911191 950436449 /nfs/dbraw/zinc/43/64/49/950436449.db2.gz NFEOQRFZXKAQLW-TZMCWYRMSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575911191 950436465 /nfs/dbraw/zinc/43/64/65/950436465.db2.gz NFEOQRFZXKAQLW-TZMCWYRMSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2ncccn2n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574750729 950438503 /nfs/dbraw/zinc/43/85/03/950438503.db2.gz GRQXXVCHNMHFCT-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc2ncccn2n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574750729 950438515 /nfs/dbraw/zinc/43/85/15/950438515.db2.gz GRQXXVCHNMHFCT-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574992340 950440607 /nfs/dbraw/zinc/44/06/07/950440607.db2.gz ADHVZTVSEMTELT-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001574992340 950440619 /nfs/dbraw/zinc/44/06/19/950440619.db2.gz ADHVZTVSEMTELT-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911224 950443635 /nfs/dbraw/zinc/44/36/35/950443635.db2.gz NVSXTPQGTFNEMZ-GXTWGEPZSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCCC1=O ZINC001575911224 950443655 /nfs/dbraw/zinc/44/36/55/950443655.db2.gz NVSXTPQGTFNEMZ-GXTWGEPZSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575604471 950443740 /nfs/dbraw/zinc/44/37/40/950443740.db2.gz ASTQNJGXCRSXQL-QDTBLXIISA-N -1 3 385.428 0.483 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575604471 950443750 /nfs/dbraw/zinc/44/37/50/950443750.db2.gz ASTQNJGXCRSXQL-QDTBLXIISA-N -1 3 385.428 0.483 20 0 GCADHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573861348 950448442 /nfs/dbraw/zinc/44/84/42/950448442.db2.gz ZPROZTAYGLFBLX-KRWDZBQOSA-N -1 3 391.432 0.687 20 0 GCADHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573861348 950448453 /nfs/dbraw/zinc/44/84/53/950448453.db2.gz ZPROZTAYGLFBLX-KRWDZBQOSA-N -1 3 391.432 0.687 20 0 GCADHM C[C@@H](CCNC(=O)C[C@H](C)n1ccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574507112 950448656 /nfs/dbraw/zinc/44/86/56/950448656.db2.gz CWQAEAYUWDHOLK-RYUDHWBXSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@@H]1CCN(CC(=O)NC2(CNc3ccnc(-c4nnn[n-]4)n3)CCCC2)C1 ZINC001576203798 950448938 /nfs/dbraw/zinc/44/89/38/950448938.db2.gz JWORODIEBUEENU-CYBMUJFWSA-N -1 3 385.476 0.261 20 0 GCADHM C[C@H]1CCN(CC(=O)NC2(CNc3ccnc(-c4nnn[n-]4)n3)CCCC2)C1 ZINC001576203800 950449859 /nfs/dbraw/zinc/44/98/59/950449859.db2.gz JWORODIEBUEENU-ZDUSSCGKSA-N -1 3 385.476 0.261 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001574992494 950450260 /nfs/dbraw/zinc/45/02/60/950450260.db2.gz DPRHYINMGQZQML-VIFPVBQESA-N -1 3 384.400 0.144 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2c([nH]1)CCOC2 ZINC001574992494 950450274 /nfs/dbraw/zinc/45/02/74/950450274.db2.gz DPRHYINMGQZQML-VIFPVBQESA-N -1 3 384.400 0.144 20 0 GCADHM C[C@H]1[C@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575911762 950452352 /nfs/dbraw/zinc/45/23/52/950452352.db2.gz PXSCKFWTFUOIAL-JOYOIKCWSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@H]1[C@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575911762 950452359 /nfs/dbraw/zinc/45/23/59/950452359.db2.gz PXSCKFWTFUOIAL-JOYOIKCWSA-N -1 3 389.851 0.975 20 0 GCADHM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573861626 950452655 /nfs/dbraw/zinc/45/26/55/950452655.db2.gz FGASHSLONWBHJZ-HAQNSBGRSA-N -1 3 388.432 0.846 20 0 GCADHM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573861626 950452669 /nfs/dbraw/zinc/45/26/69/950452669.db2.gz FGASHSLONWBHJZ-HAQNSBGRSA-N -1 3 388.432 0.846 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@@H]2O)CCCOC1 ZINC001575604994 950454288 /nfs/dbraw/zinc/45/42/88/950454288.db2.gz JPHNIIBLRNPSEP-UVBSCNOISA-N -1 3 390.419 0.488 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@@H]2O)CCCOC1 ZINC001575604994 950454298 /nfs/dbraw/zinc/45/42/98/950454298.db2.gz JPHNIIBLRNPSEP-UVBSCNOISA-N -1 3 390.419 0.488 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCCCO1 ZINC001574751281 950455985 /nfs/dbraw/zinc/45/59/85/950455985.db2.gz MSQDAROKOZOGLD-NWDGAFQWSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCCCO1 ZINC001574751281 950455997 /nfs/dbraw/zinc/45/59/97/950455997.db2.gz MSQDAROKOZOGLD-NWDGAFQWSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCCCO1 ZINC001574751279 950456834 /nfs/dbraw/zinc/45/68/34/950456834.db2.gz MSQDAROKOZOGLD-NEPJUHHUSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCCCO1 ZINC001574751279 950456841 /nfs/dbraw/zinc/45/68/41/950456841.db2.gz MSQDAROKOZOGLD-NEPJUHHUSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574507633 950458354 /nfs/dbraw/zinc/45/83/54/950458354.db2.gz GVHPBISMCCXRLB-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)C[C@H](C)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574507633 950458369 /nfs/dbraw/zinc/45/83/69/950458369.db2.gz GVHPBISMCCXRLB-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575605243 950459384 /nfs/dbraw/zinc/45/93/84/950459384.db2.gz LHQRSGZXTUYVRN-VNBZBWLYSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575605243 950459405 /nfs/dbraw/zinc/45/94/05/950459405.db2.gz LHQRSGZXTUYVRN-VNBZBWLYSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574992723 950459614 /nfs/dbraw/zinc/45/96/14/950459614.db2.gz HPWLEBMBAKNNKU-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccc(F)c(F)c1 ZINC001574992723 950459632 /nfs/dbraw/zinc/45/96/32/950459632.db2.gz HPWLEBMBAKNNKU-SECBINFHSA-N -1 3 389.366 0.950 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001574166394 950461839 /nfs/dbraw/zinc/46/18/39/950461839.db2.gz QINWEUVYIIGMBE-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001574166394 950461855 /nfs/dbraw/zinc/46/18/55/950461855.db2.gz QINWEUVYIIGMBE-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM C[C@H]1[C@@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575912146 950462008 /nfs/dbraw/zinc/46/20/08/950462008.db2.gz QACJSQCGSXOLQZ-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@@H](NCc2nnc(C3CC3)o2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575912146 950462028 /nfs/dbraw/zinc/46/20/28/950462028.db2.gz QACJSQCGSXOLQZ-CABZTGNLSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccc(F)cc1F ZINC001574993142 950462351 /nfs/dbraw/zinc/46/23/51/950462351.db2.gz JSULQYVONOTWGU-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccc(F)cc1F ZINC001574993142 950462361 /nfs/dbraw/zinc/46/23/61/950462361.db2.gz JSULQYVONOTWGU-VIFPVBQESA-N -1 3 389.366 0.950 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c(F)cncc1F ZINC001574993152 950463399 /nfs/dbraw/zinc/46/33/99/950463399.db2.gz JUFZZSLCJMCFCF-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c(F)cncc1F ZINC001574993152 950463414 /nfs/dbraw/zinc/46/34/14/950463414.db2.gz JUFZZSLCJMCFCF-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575912242 950463983 /nfs/dbraw/zinc/46/39/83/950463983.db2.gz RAVDJXBDWUSASL-MWLCHTKSSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575912242 950463997 /nfs/dbraw/zinc/46/39/97/950463997.db2.gz RAVDJXBDWUSASL-MWLCHTKSSA-N -1 3 386.420 0.037 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001574166710 950470610 /nfs/dbraw/zinc/47/06/10/950470610.db2.gz WGAQEDUJHXJVAY-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001574166710 950470619 /nfs/dbraw/zinc/47/06/19/950470619.db2.gz WGAQEDUJHXJVAY-ZDUSSCGKSA-N -1 3 389.460 0.618 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575605580 950473116 /nfs/dbraw/zinc/47/31/16/950473116.db2.gz NDAXVZYRCJIZBK-LXIYXOSZSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575605580 950473133 /nfs/dbraw/zinc/47/31/33/950473133.db2.gz NDAXVZYRCJIZBK-LXIYXOSZSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)c1c[nH]cn1 ZINC001574752166 950474485 /nfs/dbraw/zinc/47/44/85/950474485.db2.gz UXYBVOTZSPNDJC-JTQLQIEISA-N -1 3 385.432 0.472 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)CC(F)(F)C1 ZINC001575605690 950476258 /nfs/dbraw/zinc/47/62/58/950476258.db2.gz UMSZYSZRPJIINE-GHMZBOCLSA-N -1 3 379.371 0.363 20 0 GCADHM CC1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)CC(F)(F)C1 ZINC001575605690 950476277 /nfs/dbraw/zinc/47/62/77/950476277.db2.gz UMSZYSZRPJIINE-GHMZBOCLSA-N -1 3 379.371 0.363 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574994475 950479786 /nfs/dbraw/zinc/47/97/86/950479786.db2.gz RUCMXXMYYHEZIC-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(C)c1C1CC1 ZINC001574994475 950479797 /nfs/dbraw/zinc/47/97/97/950479797.db2.gz RUCMXXMYYHEZIC-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccnn1C ZINC001574752365 950480545 /nfs/dbraw/zinc/48/05/45/950480545.db2.gz VTXJGCRUOWQFSW-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccnn1C ZINC001574752365 950480560 /nfs/dbraw/zinc/48/05/60/950480560.db2.gz VTXJGCRUOWQFSW-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1noc2c1CCCC2 ZINC001574994453 950481358 /nfs/dbraw/zinc/48/13/58/950481358.db2.gz RFOKARYWDLURNO-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1noc2c1CCCC2 ZINC001574994453 950481369 /nfs/dbraw/zinc/48/13/69/950481369.db2.gz RFOKARYWDLURNO-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cc(-c3nnn[n-]3)ccn1)C2 ZINC001573863428 950482225 /nfs/dbraw/zinc/48/22/25/950482225.db2.gz IHBPKMLHHBCPDG-SGTLLEGYSA-N -1 3 386.412 0.692 20 0 GCADHM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)c1cc(-c3nn[n-]n3)ccn1)C2 ZINC001573863428 950482237 /nfs/dbraw/zinc/48/22/37/950482237.db2.gz IHBPKMLHHBCPDG-SGTLLEGYSA-N -1 3 386.412 0.692 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccnn1C ZINC001574752364 950482938 /nfs/dbraw/zinc/48/29/38/950482938.db2.gz VTXJGCRUOWQFSW-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccnn1C ZINC001574752364 950482949 /nfs/dbraw/zinc/48/29/49/950482949.db2.gz VTXJGCRUOWQFSW-LLVKDONJSA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ccncn1 ZINC001574752425 950486049 /nfs/dbraw/zinc/48/60/49/950486049.db2.gz WPEWGBXJVGSSQX-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ccncn1 ZINC001574752425 950486063 /nfs/dbraw/zinc/48/60/63/950486063.db2.gz WPEWGBXJVGSSQX-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccn2ccccc12 ZINC001574994578 950488952 /nfs/dbraw/zinc/48/89/52/950488952.db2.gz UXEUEWZUEGIRLT-LLVKDONJSA-N -1 3 378.396 0.996 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccn2ccccc12 ZINC001574994578 950488962 /nfs/dbraw/zinc/48/89/62/950488962.db2.gz UXEUEWZUEGIRLT-LLVKDONJSA-N -1 3 378.396 0.996 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575913920 950490038 /nfs/dbraw/zinc/49/00/38/950490038.db2.gz KHRJMJMMERAPSH-PWSUYJOCSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575913920 950490055 /nfs/dbraw/zinc/49/00/55/950490055.db2.gz KHRJMJMMERAPSH-PWSUYJOCSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ncccc1-c1nnn[n-]1 ZINC001574752578 950491321 /nfs/dbraw/zinc/49/13/21/950491321.db2.gz DCZHLLZIDFHYBQ-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)s1)Nc1ncccc1-c1nn[n-]n1 ZINC001574752578 950491338 /nfs/dbraw/zinc/49/13/38/950491338.db2.gz DCZHLLZIDFHYBQ-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574752630 950492221 /nfs/dbraw/zinc/49/22/21/950492221.db2.gz DPSDAPOBPAUSHP-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574752630 950492231 /nfs/dbraw/zinc/49/22/31/950492231.db2.gz DPSDAPOBPAUSHP-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@H]2O)CCOC1 ZINC001575605906 950492629 /nfs/dbraw/zinc/49/26/29/950492629.db2.gz ZRZKKUJKWYWDDB-IIDMSEBBSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C[C@H]2O)CCOC1 ZINC001575605906 950492640 /nfs/dbraw/zinc/49/26/40/950492640.db2.gz ZRZKKUJKWYWDDB-IIDMSEBBSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC1CCOCC1 ZINC001574752657 950494488 /nfs/dbraw/zinc/49/44/88/950494488.db2.gz ZDFBYPLXSNMOPM-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1CCOCC1 ZINC001574752657 950494502 /nfs/dbraw/zinc/49/45/02/950494502.db2.gz ZDFBYPLXSNMOPM-LLVKDONJSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573864135 950496301 /nfs/dbraw/zinc/49/63/01/950496301.db2.gz ZXTDBOBEULFOHM-XYPYZODXSA-N -1 3 380.430 0.660 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573864135 950496313 /nfs/dbraw/zinc/49/63/13/950496313.db2.gz ZXTDBOBEULFOHM-XYPYZODXSA-N -1 3 380.430 0.660 20 0 GCADHM CC(C)(C)OC(=O)c1cnc(C(=O)NCc2cncc(-c3nnn[n-]3)c2)cn1 ZINC001573864136 950496734 /nfs/dbraw/zinc/49/67/34/950496734.db2.gz ZYJZWKLGWRPPDF-UHFFFAOYSA-N -1 3 382.384 0.937 20 0 GCADHM CC(C)(C)OC(=O)c1cnc(C(=O)NCc2cncc(-c3nn[n-]n3)c2)cn1 ZINC001573864136 950496746 /nfs/dbraw/zinc/49/67/46/950496746.db2.gz ZYJZWKLGWRPPDF-UHFFFAOYSA-N -1 3 382.384 0.937 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575914599 950496776 /nfs/dbraw/zinc/49/67/76/950496776.db2.gz LMWAUXBHQGMFQC-GXTWGEPZSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575914599 950496792 /nfs/dbraw/zinc/49/67/92/950496792.db2.gz LMWAUXBHQGMFQC-GXTWGEPZSA-N -1 3 386.460 0.922 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573866422 950499488 /nfs/dbraw/zinc/49/94/88/950499488.db2.gz BIZVPNOPUICTEA-BETUJISGSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573866422 950499502 /nfs/dbraw/zinc/49/95/02/950499502.db2.gz BIZVPNOPUICTEA-BETUJISGSA-N -1 3 387.444 0.825 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1ncnn1CCF ZINC001574752871 950499657 /nfs/dbraw/zinc/49/96/57/950499657.db2.gz BNVLXGKMECNPFO-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCCS1(=O)=O ZINC001575606698 950499663 /nfs/dbraw/zinc/49/96/63/950499663.db2.gz CSGWERWRGSIETQ-OZVIIMIRSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCCS1(=O)=O ZINC001575606698 950499672 /nfs/dbraw/zinc/49/96/72/950499672.db2.gz CSGWERWRGSIETQ-OZVIIMIRSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575914657 950500460 /nfs/dbraw/zinc/50/04/60/950500460.db2.gz VKSLPLVXYFJOEK-WCQYABFASA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575914657 950500477 /nfs/dbraw/zinc/50/04/77/950500477.db2.gz VKSLPLVXYFJOEK-WCQYABFASA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccc2c1OCC2 ZINC001574995276 950502865 /nfs/dbraw/zinc/50/28/65/950502865.db2.gz YJSZMZNSKBBULZ-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccc2c1OCC2 ZINC001574995276 950502879 /nfs/dbraw/zinc/50/28/79/950502879.db2.gz YJSZMZNSKBBULZ-SNVBAGLBSA-N -1 3 381.396 0.678 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575607558 950506823 /nfs/dbraw/zinc/50/68/23/950506823.db2.gz JDTWXPMADMSFEH-AEDCBLDQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575607558 950506838 /nfs/dbraw/zinc/50/68/38/950506838.db2.gz JDTWXPMADMSFEH-AEDCBLDQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575915325 950508778 /nfs/dbraw/zinc/50/87/78/950508778.db2.gz MRTILPZFEHBQQH-MFKMUULPSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575915325 950508792 /nfs/dbraw/zinc/50/87/92/950508792.db2.gz MRTILPZFEHBQQH-MFKMUULPSA-N -1 3 391.457 0.098 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573866680 950509537 /nfs/dbraw/zinc/50/95/37/950509537.db2.gz INJHQXCYGLFYPL-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573866680 950509555 /nfs/dbraw/zinc/50/95/55/950509555.db2.gz INJHQXCYGLFYPL-UHFFFAOYSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575607559 950509272 /nfs/dbraw/zinc/50/92/72/950509272.db2.gz JDTWXPMADMSFEH-FNFWKMNBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575607559 950509300 /nfs/dbraw/zinc/50/93/00/950509300.db2.gz JDTWXPMADMSFEH-FNFWKMNBSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H]1CCN(CC(=O)N[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C(C)(C)C)C1 ZINC001576205333 950509750 /nfs/dbraw/zinc/50/97/50/950509750.db2.gz XLYDEDSLTYIHKT-CHWSQXEVSA-N -1 3 387.492 0.363 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)C[C@H](C)NC(N)=O ZINC001574509550 950513448 /nfs/dbraw/zinc/51/34/48/950513448.db2.gz XBVCCTMKQOEAMU-YUMQZZPRSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)C[C@H](C)NC(N)=O ZINC001574509550 950513464 /nfs/dbraw/zinc/51/34/64/950513464.db2.gz XBVCCTMKQOEAMU-YUMQZZPRSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574509522 950513518 /nfs/dbraw/zinc/51/35/18/950513518.db2.gz WJXWMFQOVISEOA-UPJWGTAASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)n1ccnc1 ZINC001574509522 950513537 /nfs/dbraw/zinc/51/35/37/950513537.db2.gz WJXWMFQOVISEOA-UPJWGTAASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575915615 950513791 /nfs/dbraw/zinc/51/37/91/950513791.db2.gz NNFMUDQACFVSNA-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575915615 950513810 /nfs/dbraw/zinc/51/38/10/950513810.db2.gz NNFMUDQACFVSNA-JQWIXIFHSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575608057 950514441 /nfs/dbraw/zinc/51/44/41/950514441.db2.gz MOZKEPGNKXEYEH-XHBSWPGZSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575608057 950514461 /nfs/dbraw/zinc/51/44/61/950514461.db2.gz MOZKEPGNKXEYEH-XHBSWPGZSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575608753 950517297 /nfs/dbraw/zinc/51/72/97/950517297.db2.gz RFLWIETXGPEUFN-FNFWKMNBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575608753 950517319 /nfs/dbraw/zinc/51/73/19/950517319.db2.gz RFLWIETXGPEUFN-FNFWKMNBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574996033 950519668 /nfs/dbraw/zinc/51/96/68/950519668.db2.gz JXOXIQBELYQFNC-QMMMGPOBSA-N -1 3 382.388 0.260 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574996058 950520794 /nfs/dbraw/zinc/52/07/94/950520794.db2.gz KGZHZPGKIAOYQS-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574996058 950520812 /nfs/dbraw/zinc/52/08/12/950520812.db2.gz KGZHZPGKIAOYQS-SECBINFHSA-N -1 3 385.432 0.764 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574753350 950523037 /nfs/dbraw/zinc/52/30/37/950523037.db2.gz LDBUCXWIMMLFPE-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574753350 950523054 /nfs/dbraw/zinc/52/30/54/950523054.db2.gz LDBUCXWIMMLFPE-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574753351 950523545 /nfs/dbraw/zinc/52/35/45/950523545.db2.gz LDBUCXWIMMLFPE-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574753351 950523565 /nfs/dbraw/zinc/52/35/65/950523565.db2.gz LDBUCXWIMMLFPE-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)C(=O)NCC(F)F ZINC001575915833 950525978 /nfs/dbraw/zinc/52/59/78/950525978.db2.gz XJBBCZHOKIBTIX-PSASIEDQSA-N -1 3 380.359 0.044 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)C(=O)NCC(F)F ZINC001575915833 950525991 /nfs/dbraw/zinc/52/59/91/950525991.db2.gz XJBBCZHOKIBTIX-PSASIEDQSA-N -1 3 380.359 0.044 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573867295 950529369 /nfs/dbraw/zinc/52/93/69/950529369.db2.gz UKKJCBIGGMITBW-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573867295 950529396 /nfs/dbraw/zinc/52/93/96/950529396.db2.gz UKKJCBIGGMITBW-LBPRGKRZSA-N -1 3 375.433 0.731 20 0 GCADHM CC1CCN(CC(=O)NC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001576205711 950532575 /nfs/dbraw/zinc/53/25/75/950532575.db2.gz NHJZJTQTJSLWGI-CQSZACIVSA-N -1 3 385.476 0.331 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574753567 950533569 /nfs/dbraw/zinc/53/35/69/950533569.db2.gz PKAVGYQWEVLAOS-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574753567 950533581 /nfs/dbraw/zinc/53/35/81/950533581.db2.gz PKAVGYQWEVLAOS-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574509874 950535865 /nfs/dbraw/zinc/53/58/65/950535865.db2.gz ZZOOGWHUPQOABV-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574509874 950535882 /nfs/dbraw/zinc/53/58/82/950535882.db2.gz ZZOOGWHUPQOABV-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H]1[C@@H](NCc2ncnn2CCF)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916444 950539407 /nfs/dbraw/zinc/53/94/07/950539407.db2.gz ZUZGKOMLYSDUKH-JQWIXIFHSA-N -1 3 388.411 0.149 20 0 GCADHM C[C@H]1[C@@H](NCc2ncnn2CCF)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916444 950539430 /nfs/dbraw/zinc/53/94/30/950539430.db2.gz ZUZGKOMLYSDUKH-JQWIXIFHSA-N -1 3 388.411 0.149 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1ncccn1 ZINC001574753734 950540286 /nfs/dbraw/zinc/54/02/86/950540286.db2.gz HHVAEJWMDINLGY-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1ncccn1 ZINC001574753734 950540307 /nfs/dbraw/zinc/54/03/07/950540307.db2.gz HHVAEJWMDINLGY-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Br)n[nH]1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574997078 950541730 /nfs/dbraw/zinc/54/17/30/950541730.db2.gz QXFDWLHCSRPDBK-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Br)n[nH]1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574997078 950541756 /nfs/dbraw/zinc/54/17/56/950541756.db2.gz QXFDWLHCSRPDBK-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@@H](CC(=O)NCCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574510013 950541534 /nfs/dbraw/zinc/54/15/34/950541534.db2.gz YFEGTBDARUHGIJ-JTQLQIEISA-N -1 3 390.423 0.538 20 0 GCADHM C[C@@H](CC(=O)NCCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574510013 950541554 /nfs/dbraw/zinc/54/15/54/950541554.db2.gz YFEGTBDARUHGIJ-JTQLQIEISA-N -1 3 390.423 0.538 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)C(F)(F)F ZINC001574510894 950546481 /nfs/dbraw/zinc/54/64/81/950546481.db2.gz DFHFZSOEJHJYKN-IEBDPFPHSA-N -1 3 385.350 0.516 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)C(F)(F)F ZINC001574510894 950546512 /nfs/dbraw/zinc/54/65/12/950546512.db2.gz DFHFZSOEJHJYKN-IEBDPFPHSA-N -1 3 385.350 0.516 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573868994 950550858 /nfs/dbraw/zinc/55/08/58/950550858.db2.gz IUIHGPNSNWTDNE-HONMWMINSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573868994 950550874 /nfs/dbraw/zinc/55/08/74/950550874.db2.gz IUIHGPNSNWTDNE-HONMWMINSA-N -1 3 387.444 0.872 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575916879 950554089 /nfs/dbraw/zinc/55/40/89/950554089.db2.gz SVJQPWYQOFCFHA-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575916879 950554099 /nfs/dbraw/zinc/55/40/99/950554099.db2.gz SVJQPWYQOFCFHA-DGCLKSJQSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NCc1nsc(N(C)C)n1 ZINC001574753980 950554397 /nfs/dbraw/zinc/55/43/97/950554397.db2.gz JAPXKDFGRHLMMY-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nsc(N(C)C)n1 ZINC001574753980 950554411 /nfs/dbraw/zinc/55/44/11/950554411.db2.gz JAPXKDFGRHLMMY-SECBINFHSA-N -1 3 390.477 0.363 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1noc2c1COCC2 ZINC001574753965 950554843 /nfs/dbraw/zinc/55/48/43/950554843.db2.gz IRSWEPDTWYKOQZ-SNVBAGLBSA-N -1 3 386.416 0.506 20 0 GCADHM CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)CC(F)(F)C1 ZINC001575614896 950555680 /nfs/dbraw/zinc/55/56/80/950555680.db2.gz UWTLXJXNMXSIBT-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM CC1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)CC(F)(F)C1 ZINC001575614896 950555696 /nfs/dbraw/zinc/55/56/96/950555696.db2.gz UWTLXJXNMXSIBT-IAZYJMLFSA-N -1 3 391.382 0.817 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574754171 950564757 /nfs/dbraw/zinc/56/47/57/950564757.db2.gz YZQNUBBFJVYQHC-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574754171 950564778 /nfs/dbraw/zinc/56/47/78/950564778.db2.gz YZQNUBBFJVYQHC-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@]1(C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)CCNC(=O)C1 ZINC001575615010 950564864 /nfs/dbraw/zinc/56/48/64/950564864.db2.gz YSTCWYZIZPSPLS-QGZVFWFLSA-N -1 3 381.400 0.361 20 0 GCADHM C[C@@]1(C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)CCNC(=O)C1 ZINC001575615010 950564885 /nfs/dbraw/zinc/56/48/85/950564885.db2.gz YSTCWYZIZPSPLS-QGZVFWFLSA-N -1 3 381.400 0.361 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575917330 950567221 /nfs/dbraw/zinc/56/72/21/950567221.db2.gz WMXRHVVKRRJZFU-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575917330 950567237 /nfs/dbraw/zinc/56/72/37/950567237.db2.gz WMXRHVVKRRJZFU-FZMZJTMJSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnc2n1CCCC2 ZINC001574754314 950569012 /nfs/dbraw/zinc/56/90/12/950569012.db2.gz KLAKCWGHBSODMX-NSHDSACASA-N -1 3 384.448 0.373 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)n1cccc1 ZINC001574511744 950569101 /nfs/dbraw/zinc/56/91/01/950569101.db2.gz SRDPMABKBSCACY-NWANDNLSSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)n1cccc1 ZINC001574511744 950569118 /nfs/dbraw/zinc/56/91/18/950569118.db2.gz SRDPMABKBSCACY-NWANDNLSSA-N -1 3 382.428 0.380 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574754196 950570229 /nfs/dbraw/zinc/57/02/29/950570229.db2.gz ZQSPECYMBPQOJA-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574754196 950570247 /nfs/dbraw/zinc/57/02/47/950570247.db2.gz ZQSPECYMBPQOJA-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573869612 950571883 /nfs/dbraw/zinc/57/18/83/950571883.db2.gz ALHFUBDEEAXQEW-UHFFFAOYSA-N -1 3 392.435 0.484 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573869612 950571902 /nfs/dbraw/zinc/57/19/02/950571902.db2.gz ALHFUBDEEAXQEW-UHFFFAOYSA-N -1 3 392.435 0.484 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C2CC2)on1 ZINC001574754429 950573337 /nfs/dbraw/zinc/57/33/37/950573337.db2.gz LNJGAIPAKGAYGU-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C2CC2)on1 ZINC001574754429 950573352 /nfs/dbraw/zinc/57/33/52/950573352.db2.gz LNJGAIPAKGAYGU-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575615784 950573480 /nfs/dbraw/zinc/57/34/80/950573480.db2.gz HJCCLVRVPJIJRQ-LLVKDONJSA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575615784 950573495 /nfs/dbraw/zinc/57/34/95/950573495.db2.gz HJCCLVRVPJIJRQ-LLVKDONJSA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)C1(C)C ZINC001575615844 950574541 /nfs/dbraw/zinc/57/45/41/950574541.db2.gz JFXHRANGZRJKHE-NEPJUHHUSA-N -1 3 389.435 0.749 20 0 GCADHM CC1(C)C(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)C1(C)C ZINC001575615844 950574562 /nfs/dbraw/zinc/57/45/62/950574562.db2.gz JFXHRANGZRJKHE-NEPJUHHUSA-N -1 3 389.435 0.749 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573869783 950577379 /nfs/dbraw/zinc/57/73/79/950577379.db2.gz CVMAACVNLIVEFJ-SNVBAGLBSA-N -1 3 383.840 0.619 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573869783 950577401 /nfs/dbraw/zinc/57/74/01/950577401.db2.gz CVMAACVNLIVEFJ-SNVBAGLBSA-N -1 3 383.840 0.619 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1ncnn1C(C)(C)C ZINC001574754603 950578933 /nfs/dbraw/zinc/57/89/33/950578933.db2.gz NMEZFBBAACTOKU-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574172808 950581438 /nfs/dbraw/zinc/58/14/38/950581438.db2.gz BPJWZLKCWGJGNA-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574172808 950581457 /nfs/dbraw/zinc/58/14/57/950581457.db2.gz BPJWZLKCWGJGNA-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574173026 950586449 /nfs/dbraw/zinc/58/64/49/950586449.db2.gz DSEYBHSDXYGXKK-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574173026 950586463 /nfs/dbraw/zinc/58/64/63/950586463.db2.gz DSEYBHSDXYGXKK-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575616497 950586401 /nfs/dbraw/zinc/58/64/01/950586401.db2.gz PZOCZOXIBIXHCR-SNVBAGLBSA-N -1 3 389.460 0.474 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575616497 950586418 /nfs/dbraw/zinc/58/64/18/950586418.db2.gz PZOCZOXIBIXHCR-SNVBAGLBSA-N -1 3 389.460 0.474 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575000001 950587541 /nfs/dbraw/zinc/58/75/41/950587541.db2.gz NYUGOFKVSULTOP-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575000001 950587561 /nfs/dbraw/zinc/58/75/61/950587561.db2.gz NYUGOFKVSULTOP-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nc(C2CC2)nn1C ZINC001574754806 950588572 /nfs/dbraw/zinc/58/85/72/950588572.db2.gz QIPCZSAIVREWHG-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574513197 950595167 /nfs/dbraw/zinc/59/51/67/950595167.db2.gz JFSNLCGRQVEWNO-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H](C)c1cnn(C)c1 ZINC001574513197 950595178 /nfs/dbraw/zinc/59/51/78/950595178.db2.gz JFSNLCGRQVEWNO-WDEREUQCSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575000115 950595179 /nfs/dbraw/zinc/59/51/79/950595179.db2.gz PBAGYQXBXBWSKA-ZCFIWIBFSA-N -1 3 379.331 0.404 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575000115 950595203 /nfs/dbraw/zinc/59/52/03/950595203.db2.gz PBAGYQXBXBWSKA-ZCFIWIBFSA-N -1 3 379.331 0.404 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573870542 950595597 /nfs/dbraw/zinc/59/55/97/950595597.db2.gz HUYLQLLTTKMPOQ-ZDUSSCGKSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573870542 950595613 /nfs/dbraw/zinc/59/56/13/950595613.db2.gz HUYLQLLTTKMPOQ-ZDUSSCGKSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575000267 950599585 /nfs/dbraw/zinc/59/95/85/950599585.db2.gz BUDZQQWFFBGJLO-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575000267 950599606 /nfs/dbraw/zinc/59/96/06/950599606.db2.gz BUDZQQWFFBGJLO-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574173718 950601567 /nfs/dbraw/zinc/60/15/67/950601567.db2.gz LZTKWCKKKQPQAX-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@H]([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574173718 950601579 /nfs/dbraw/zinc/60/15/79/950601579.db2.gz LZTKWCKKKQPQAX-WFASDCNBSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)no1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575000442 950602853 /nfs/dbraw/zinc/60/28/53/950602853.db2.gz DKZPUGICRZZJTH-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)no1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575000442 950602862 /nfs/dbraw/zinc/60/28/62/950602862.db2.gz DKZPUGICRZZJTH-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573870921 950603461 /nfs/dbraw/zinc/60/34/61/950603461.db2.gz KLZHFAFTIWKXQW-KRWDZBQOSA-N -1 3 375.433 0.134 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573870921 950603472 /nfs/dbraw/zinc/60/34/72/950603472.db2.gz KLZHFAFTIWKXQW-KRWDZBQOSA-N -1 3 375.433 0.134 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1cn(C(C)(C)C)nn1 ZINC001574756382 950603932 /nfs/dbraw/zinc/60/39/32/950603932.db2.gz ZOEUYQHKKDWMIA-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H]1[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575919100 950606354 /nfs/dbraw/zinc/60/63/54/950606354.db2.gz GIFWDOHMXZKCQN-GXSJLCMTSA-N -1 3 384.375 0.804 20 0 GCADHM C[C@H]1[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575919100 950606362 /nfs/dbraw/zinc/60/63/62/950606362.db2.gz GIFWDOHMXZKCQN-GXSJLCMTSA-N -1 3 384.375 0.804 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1 ZINC001573871337 950614957 /nfs/dbraw/zinc/61/49/57/950614957.db2.gz OESCQMBNBWKBJF-CYBMUJFWSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1 ZINC001573871337 950614968 /nfs/dbraw/zinc/61/49/68/950614968.db2.gz OESCQMBNBWKBJF-CYBMUJFWSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2ncccc2-c2nnn[n-]2)CCO1 ZINC001573871347 950615966 /nfs/dbraw/zinc/61/59/66/950615966.db2.gz OIMIOMJLIPDLLX-SFHVURJKSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@]1(C)CN(c2ncccc2-c2nn[n-]n2)CCO1 ZINC001573871347 950615980 /nfs/dbraw/zinc/61/59/80/950615980.db2.gz OIMIOMJLIPDLLX-SFHVURJKSA-N -1 3 389.460 0.788 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573871532 950617571 /nfs/dbraw/zinc/61/75/71/950617571.db2.gz RBHBOGRXDRZDFJ-JTQLQIEISA-N -1 3 383.840 0.619 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573871532 950617590 /nfs/dbraw/zinc/61/75/90/950617590.db2.gz RBHBOGRXDRZDFJ-JTQLQIEISA-N -1 3 383.840 0.619 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575001166 950620975 /nfs/dbraw/zinc/62/09/75/950620975.db2.gz UPYZKENTHSIGCN-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575001166 950620986 /nfs/dbraw/zinc/62/09/86/950620986.db2.gz UPYZKENTHSIGCN-VIFPVBQESA-N -1 3 383.416 0.354 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574174155 950621018 /nfs/dbraw/zinc/62/10/18/950621018.db2.gz QQUHZEVYGOAJON-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574174155 950621036 /nfs/dbraw/zinc/62/10/36/950621036.db2.gz QQUHZEVYGOAJON-SWLSCSKDSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574174126 950621464 /nfs/dbraw/zinc/62/14/64/950621464.db2.gz PZCGZNFYNGALBN-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574174126 950621476 /nfs/dbraw/zinc/62/14/76/950621476.db2.gz PZCGZNFYNGALBN-ZDUSSCGKSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001575001148 950621428 /nfs/dbraw/zinc/62/14/28/950621428.db2.gz UHFGWWQYBBDQEP-VIFPVBQESA-N -1 3 386.391 0.911 20 0 GCADHM C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001575001148 950621443 /nfs/dbraw/zinc/62/14/43/950621443.db2.gz UHFGWWQYBBDQEP-VIFPVBQESA-N -1 3 386.391 0.911 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574515703 950632174 /nfs/dbraw/zinc/63/21/74/950632174.db2.gz FNVXXUWONZFIOS-AVGNSLFASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574515703 950632181 /nfs/dbraw/zinc/63/21/81/950632181.db2.gz FNVXXUWONZFIOS-AVGNSLFASA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCC(C)CC2)CCN1c1nccnc1-c1nnn[n-]1 ZINC001576213544 950633512 /nfs/dbraw/zinc/63/35/12/950633512.db2.gz CLHOFCLDRYWUBP-KGLIPLIRSA-N -1 3 385.476 0.472 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574174557 950638856 /nfs/dbraw/zinc/63/88/56/950638856.db2.gz SVZDLKYNLIFXHQ-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574174557 950638870 /nfs/dbraw/zinc/63/88/70/950638870.db2.gz SVZDLKYNLIFXHQ-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001573873342 950640430 /nfs/dbraw/zinc/64/04/30/950640430.db2.gz JWHIAGHPBBYEPR-CABCVRRESA-N -1 3 392.435 0.482 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001573873342 950640449 /nfs/dbraw/zinc/64/04/49/950640449.db2.gz JWHIAGHPBBYEPR-CABCVRRESA-N -1 3 392.435 0.482 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574517700 950644599 /nfs/dbraw/zinc/64/45/99/950644599.db2.gz LMEWFQKYIRFSDW-OPQSFPLASA-N -1 3 387.444 0.777 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001574517700 950644611 /nfs/dbraw/zinc/64/46/11/950644611.db2.gz LMEWFQKYIRFSDW-OPQSFPLASA-N -1 3 387.444 0.777 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001575622755 950645011 /nfs/dbraw/zinc/64/50/11/950645011.db2.gz GRWLKSMFHVZONV-OLZOCXBDSA-N -1 3 385.472 1.000 20 0 GCADHM CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001575622755 950645026 /nfs/dbraw/zinc/64/50/26/950645026.db2.gz GRWLKSMFHVZONV-OLZOCXBDSA-N -1 3 385.472 1.000 20 0 GCADHM CC(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574175054 950648293 /nfs/dbraw/zinc/64/82/93/950648293.db2.gz XLXJQWKIOMXFHM-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574175054 950648304 /nfs/dbraw/zinc/64/83/04/950648304.db2.gz XLXJQWKIOMXFHM-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575002018 950651410 /nfs/dbraw/zinc/65/14/10/950651410.db2.gz YKIDEQAEVSSDFC-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575002018 950651425 /nfs/dbraw/zinc/65/14/25/950651425.db2.gz YKIDEQAEVSSDFC-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001574518336 950651630 /nfs/dbraw/zinc/65/16/30/950651630.db2.gz NYGIAXDSNZGVDZ-UUIJZJDISA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001574518336 950651642 /nfs/dbraw/zinc/65/16/42/950651642.db2.gz NYGIAXDSNZGVDZ-UUIJZJDISA-N -1 3 387.444 0.777 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001574175091 950652875 /nfs/dbraw/zinc/65/28/75/950652875.db2.gz MORRURSXIYPBHG-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)CCC(=O)N[C@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001574175091 950652885 /nfs/dbraw/zinc/65/28/85/950652885.db2.gz MORRURSXIYPBHG-IUODEOHRSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H]1CCN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@@H]1O ZINC001576214052 950654149 /nfs/dbraw/zinc/65/41/49/950654149.db2.gz LYYIWDFHOSRMFC-WFASDCNBSA-N -1 3 382.428 0.694 20 0 GCADHM C[C@H]1CCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@@H]1O ZINC001576214052 950654164 /nfs/dbraw/zinc/65/41/64/950654164.db2.gz LYYIWDFHOSRMFC-WFASDCNBSA-N -1 3 382.428 0.694 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575002132 950654688 /nfs/dbraw/zinc/65/46/88/950654688.db2.gz ZKXYUGXJNKOYTN-QMMMGPOBSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575002132 950654697 /nfs/dbraw/zinc/65/46/97/950654697.db2.gz ZKXYUGXJNKOYTN-QMMMGPOBSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574518700 950656571 /nfs/dbraw/zinc/65/65/71/950656571.db2.gz PWDVMXLONKGOSK-RAIGVLPGSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574518700 950656589 /nfs/dbraw/zinc/65/65/89/950656589.db2.gz PWDVMXLONKGOSK-RAIGVLPGSA-N -1 3 383.416 0.420 20 0 GCADHM CCN1CCN(Cc2ccccc2CNC(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001589744594 950658275 /nfs/dbraw/zinc/65/82/75/950658275.db2.gz VNEGZXPSEKWZOD-UHFFFAOYSA-N -1 3 386.456 0.430 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001574175857 950665358 /nfs/dbraw/zinc/66/53/58/950665358.db2.gz RQBVDIRINPQPKN-RISCZKNCSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001574175857 950665372 /nfs/dbraw/zinc/66/53/72/950665372.db2.gz RQBVDIRINPQPKN-RISCZKNCSA-N -1 3 375.433 0.323 20 0 GCADHM CC1(C)CC(C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575624519 950667074 /nfs/dbraw/zinc/66/70/74/950667074.db2.gz KGARXTSPGPKYHG-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(C(=O)N2CC(CCO)(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575624519 950667094 /nfs/dbraw/zinc/66/70/94/950667094.db2.gz KGARXTSPGPKYHG-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575003096 950672846 /nfs/dbraw/zinc/67/28/46/950672846.db2.gz XYSICHKCEOEYQT-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575003096 950672852 /nfs/dbraw/zinc/67/28/52/950672852.db2.gz XYSICHKCEOEYQT-VIFPVBQESA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574519156 950673126 /nfs/dbraw/zinc/67/31/26/950673126.db2.gz BVFYWBDNGBRLTP-ZYHUDNBSSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574519156 950673137 /nfs/dbraw/zinc/67/31/37/950673137.db2.gz BVFYWBDNGBRLTP-ZYHUDNBSSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn[nH]c(=O)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574760637 950673974 /nfs/dbraw/zinc/67/39/74/950673974.db2.gz KJMDYIMRVLPJKT-MRVPVSSYSA-N -1 3 389.807 0.983 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn[nH]c(=O)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574760637 950673981 /nfs/dbraw/zinc/67/39/81/950673981.db2.gz KJMDYIMRVLPJKT-MRVPVSSYSA-N -1 3 389.807 0.983 20 0 GCADHM CC(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574176423 950674995 /nfs/dbraw/zinc/67/49/95/950674995.db2.gz VUXNQELCSUYZDI-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574176423 950675004 /nfs/dbraw/zinc/67/50/04/950675004.db2.gz VUXNQELCSUYZDI-GOSISDBHSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574760677 950676913 /nfs/dbraw/zinc/67/69/13/950676913.db2.gz XPKUPRKASWVDLT-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574760677 950676923 /nfs/dbraw/zinc/67/69/23/950676923.db2.gz XPKUPRKASWVDLT-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM CC1(C)CC(C(=O)N2CCO[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575625044 950679370 /nfs/dbraw/zinc/67/93/70/950679370.db2.gz NJYBFHHTESIGLS-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)N2CCO[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575625044 950679380 /nfs/dbraw/zinc/67/93/80/950679380.db2.gz NJYBFHHTESIGLS-GFCCVEGCSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574519452 950681287 /nfs/dbraw/zinc/68/12/87/950681287.db2.gz WLCFVSQTZJNHTM-WCFLWFBJSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574519452 950681294 /nfs/dbraw/zinc/68/12/94/950681294.db2.gz WLCFVSQTZJNHTM-WCFLWFBJSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574760806 950681349 /nfs/dbraw/zinc/68/13/49/950681349.db2.gz LQRKDLTUTBQDRI-JTQLQIEISA-N -1 3 384.400 0.455 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccoc1CC(N)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574760806 950681363 /nfs/dbraw/zinc/68/13/63/950681363.db2.gz LQRKDLTUTBQDRI-JTQLQIEISA-N -1 3 384.400 0.455 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn2c(n1)CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574760879 950684519 /nfs/dbraw/zinc/68/45/19/950684519.db2.gz NPWVDHJTTFVKLB-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn2c(n1)CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574760879 950684535 /nfs/dbraw/zinc/68/45/35/950684535.db2.gz NPWVDHJTTFVKLB-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM CC1(C)CC(=O)NCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001575625971 950703858 /nfs/dbraw/zinc/70/38/58/950703858.db2.gz VQQPVPYLLVAWJL-UHFFFAOYSA-N -1 3 384.849 0.809 20 0 GCADHM CC1(C)CC(=O)NCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001575625971 950703871 /nfs/dbraw/zinc/70/38/71/950703871.db2.gz VQQPVPYLLVAWJL-UHFFFAOYSA-N -1 3 384.849 0.809 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001574179575 950710111 /nfs/dbraw/zinc/71/01/11/950710111.db2.gz GBFNFUCWCHATLX-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001574179575 950710129 /nfs/dbraw/zinc/71/01/29/950710129.db2.gz GBFNFUCWCHATLX-UHFFFAOYSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573878532 950712109 /nfs/dbraw/zinc/71/21/09/950712109.db2.gz SIMPWTTZCAFXDI-HBNTYKKESA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573878532 950712129 /nfs/dbraw/zinc/71/21/29/950712129.db2.gz SIMPWTTZCAFXDI-HBNTYKKESA-N -1 3 375.433 0.084 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575006236 950713922 /nfs/dbraw/zinc/71/39/22/950713922.db2.gz TXHISWSWPTZPKB-MRVPVSSYSA-N -1 3 389.807 0.734 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575006236 950713931 /nfs/dbraw/zinc/71/39/31/950713931.db2.gz TXHISWSWPTZPKB-MRVPVSSYSA-N -1 3 389.807 0.734 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1nccs1)C1CC1 ZINC001575006195 950714263 /nfs/dbraw/zinc/71/42/63/950714263.db2.gz RWGZLDBKGKWLNW-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573878542 950714129 /nfs/dbraw/zinc/71/41/29/950714129.db2.gz SYPZBVGREVBQSV-HBNTYKKESA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573878542 950714154 /nfs/dbraw/zinc/71/41/54/950714154.db2.gz SYPZBVGREVBQSV-HBNTYKKESA-N -1 3 375.433 0.084 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1nccs1)C1CC1 ZINC001575006195 950714281 /nfs/dbraw/zinc/71/42/81/950714281.db2.gz RWGZLDBKGKWLNW-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)[nH]n1 ZINC001573879424 950724118 /nfs/dbraw/zinc/72/41/18/950724118.db2.gz BPYYYJWTCBXTHC-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)[nH]n1 ZINC001573879424 950724139 /nfs/dbraw/zinc/72/41/39/950724139.db2.gz BPYYYJWTCBXTHC-LLVKDONJSA-N -1 3 385.432 0.485 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1csnn1)C1CC1 ZINC001575006575 950726458 /nfs/dbraw/zinc/72/64/58/950726458.db2.gz VYYNKLPOYSNFDP-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1csnn1)C1CC1 ZINC001575006575 950726471 /nfs/dbraw/zinc/72/64/71/950726471.db2.gz VYYNKLPOYSNFDP-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574763652 950727774 /nfs/dbraw/zinc/72/77/74/950727774.db2.gz HGLLMCFZVWIJFU-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2c1CCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574763652 950727792 /nfs/dbraw/zinc/72/77/92/950727792.db2.gz HGLLMCFZVWIJFU-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM CC(C)(C)c1cc(CN[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001573879571 950728361 /nfs/dbraw/zinc/72/83/61/950728361.db2.gz GEQJZLJBIRCANX-NSHDSACASA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cc(CN[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001573879571 950728378 /nfs/dbraw/zinc/72/83/78/950728378.db2.gz GEQJZLJBIRCANX-NSHDSACASA-N -1 3 388.432 0.361 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001575006973 950730353 /nfs/dbraw/zinc/73/03/53/950730353.db2.gz ZHSPFSHHALORCS-QGZVFWFLSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cc(F)c[nH]1)C1CC1 ZINC001575006973 950730367 /nfs/dbraw/zinc/73/03/67/950730367.db2.gz ZHSPFSHHALORCS-QGZVFWFLSA-N -1 3 386.391 0.991 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cscn1 ZINC001575008390 950743531 /nfs/dbraw/zinc/74/35/31/950743531.db2.gz DWXIRODYZQSEPS-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cscn1 ZINC001575008390 950743540 /nfs/dbraw/zinc/74/35/40/950743540.db2.gz DWXIRODYZQSEPS-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)C1 ZINC001575629747 950747621 /nfs/dbraw/zinc/74/76/21/950747621.db2.gz RUXWHYBPIXDDJN-RISCZKNCSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)C1 ZINC001575629747 950747640 /nfs/dbraw/zinc/74/76/40/950747640.db2.gz RUXWHYBPIXDDJN-RISCZKNCSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575008503 950748468 /nfs/dbraw/zinc/74/84/68/950748468.db2.gz FVCZGXFVARTKLW-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1nccc1C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575008503 950748484 /nfs/dbraw/zinc/74/84/84/950748484.db2.gz FVCZGXFVARTKLW-NSHDSACASA-N -1 3 385.432 0.768 20 0 GCADHM CC1(C)CC(C(=O)NC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)C1 ZINC001575629788 950748881 /nfs/dbraw/zinc/74/88/81/950748881.db2.gz SUPACXZOSAFGBY-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)NC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)C1 ZINC001575629788 950748898 /nfs/dbraw/zinc/74/88/98/950748898.db2.gz SUPACXZOSAFGBY-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)C1 ZINC001575629748 950749118 /nfs/dbraw/zinc/74/91/18/950749118.db2.gz RUXWHYBPIXDDJN-SMDDNHRTSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)C1 ZINC001575629748 950749132 /nfs/dbraw/zinc/74/91/32/950749132.db2.gz RUXWHYBPIXDDJN-SMDDNHRTSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)n1ccnc1 ZINC001574520723 950749391 /nfs/dbraw/zinc/74/93/91/950749391.db2.gz XUJZOPPRSTYLPY-YYWXWVFPSA-N -1 3 379.428 0.660 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)n1ccnc1 ZINC001574520723 950749408 /nfs/dbraw/zinc/74/94/08/950749408.db2.gz XUJZOPPRSTYLPY-YYWXWVFPSA-N -1 3 379.428 0.660 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnnn1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574764443 950751046 /nfs/dbraw/zinc/75/10/46/950751046.db2.gz SWBKVAAIFMMJHC-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnnn1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574764443 950751067 /nfs/dbraw/zinc/75/10/67/950751067.db2.gz SWBKVAAIFMMJHC-MRVPVSSYSA-N -1 3 376.812 0.616 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574182037 950751815 /nfs/dbraw/zinc/75/18/15/950751815.db2.gz SKHMPQQSMJKUDJ-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574182037 950751830 /nfs/dbraw/zinc/75/18/30/950751830.db2.gz SKHMPQQSMJKUDJ-ZDUSSCGKSA-N -1 3 388.476 0.755 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576217269 950754609 /nfs/dbraw/zinc/75/46/09/950754609.db2.gz LIGABLZLUNFRFX-OTYXRUKQSA-N -1 3 383.416 0.130 20 0 GCADHM CC(C)CCC(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574181959 950754834 /nfs/dbraw/zinc/75/48/34/950754834.db2.gz QYPWMJQEPOQSLE-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NC[C@@]1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574181959 950754842 /nfs/dbraw/zinc/75/48/42/950754842.db2.gz QYPWMJQEPOQSLE-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)CCn3cnccc3=O)c(-c3nnn[n-]3)cc2C1 ZINC001576217272 950755937 /nfs/dbraw/zinc/75/59/37/950755937.db2.gz LMEOZXFHYMWNHK-LLVKDONJSA-N -1 3 380.412 0.972 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)CCn3cnccc3=O)c(-c3nn[n-]n3)cc2C1 ZINC001576217272 950755946 /nfs/dbraw/zinc/75/59/46/950755946.db2.gz LMEOZXFHYMWNHK-LLVKDONJSA-N -1 3 380.412 0.972 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1c(Cl)cnn1C ZINC001575008928 950764516 /nfs/dbraw/zinc/76/45/16/950764516.db2.gz KSELPEDKLBGNMN-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1c(Cl)cnn1C ZINC001575008928 950764527 /nfs/dbraw/zinc/76/45/27/950764527.db2.gz KSELPEDKLBGNMN-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cccnc1 ZINC001574521314 950773970 /nfs/dbraw/zinc/77/39/70/950773970.db2.gz FKDHOPXZXAUEQO-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cccnc1 ZINC001574521314 950773990 /nfs/dbraw/zinc/77/39/90/950773990.db2.gz FKDHOPXZXAUEQO-RYUDHWBXSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C1CCC(O)CC1 ZINC001575009088 950776174 /nfs/dbraw/zinc/77/61/74/950776174.db2.gz NHCYJMAFWNQVAZ-VOMCLLRMSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C1CCC(O)CC1 ZINC001575009088 950776192 /nfs/dbraw/zinc/77/61/92/950776192.db2.gz NHCYJMAFWNQVAZ-VOMCLLRMSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cccnc1 ZINC001574521315 950776035 /nfs/dbraw/zinc/77/60/35/950776035.db2.gz FKDHOPXZXAUEQO-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cccnc1 ZINC001574521315 950776052 /nfs/dbraw/zinc/77/60/52/950776052.db2.gz FKDHOPXZXAUEQO-VXGBXAGGSA-N -1 3 382.428 0.846 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573883986 950776419 /nfs/dbraw/zinc/77/64/19/950776419.db2.gz AFXRHYRPMWIFDQ-UHFFFAOYSA-N -1 3 385.432 0.765 20 0 GCADHM CC(C)(C)c1n[nH]cc1C(=O)NCCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573883986 950776436 /nfs/dbraw/zinc/77/64/36/950776436.db2.gz AFXRHYRPMWIFDQ-UHFFFAOYSA-N -1 3 385.432 0.765 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cccnc1 ZINC001574521312 950777042 /nfs/dbraw/zinc/77/70/42/950777042.db2.gz FKDHOPXZXAUEQO-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cccnc1 ZINC001574521312 950777057 /nfs/dbraw/zinc/77/70/57/950777057.db2.gz FKDHOPXZXAUEQO-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001575009187 950778028 /nfs/dbraw/zinc/77/80/28/950778028.db2.gz PJNWMBBVOFJFHV-FVMIAERFSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001575009187 950778045 /nfs/dbraw/zinc/77/80/45/950778045.db2.gz PJNWMBBVOFJFHV-FVMIAERFSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765217 950778220 /nfs/dbraw/zinc/77/82/20/950778220.db2.gz GQANJDGEUIQPJV-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765217 950778238 /nfs/dbraw/zinc/77/82/38/950778238.db2.gz GQANJDGEUIQPJV-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC1(C)CC(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575631889 950783005 /nfs/dbraw/zinc/78/30/05/950783005.db2.gz VWQRPNAQZSKONY-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC1(C)CC(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575631889 950783029 /nfs/dbraw/zinc/78/30/29/950783029.db2.gz VWQRPNAQZSKONY-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](CN(C)CC(=O)NCC(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574765443 950785464 /nfs/dbraw/zinc/78/54/64/950785464.db2.gz CIIHBWRFPXBGME-NSHDSACASA-N -1 3 376.465 0.407 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575929612 950786393 /nfs/dbraw/zinc/78/63/93/950786393.db2.gz CSUDTCGUQRTGEZ-GXFFZTMASA-N -1 3 391.457 0.098 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575929612 950786406 /nfs/dbraw/zinc/78/64/06/950786406.db2.gz CSUDTCGUQRTGEZ-GXFFZTMASA-N -1 3 391.457 0.098 20 0 GCADHM CC(C)(C)c1nc(CN2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001573884303 950789757 /nfs/dbraw/zinc/78/97/57/950789757.db2.gz CNIJJHUXWKFNFF-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM CC(C)(C)c1nc(CN2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001573884303 950789773 /nfs/dbraw/zinc/78/97/73/950789773.db2.gz CNIJJHUXWKFNFF-UHFFFAOYSA-N -1 3 385.432 0.737 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001575009626 950791754 /nfs/dbraw/zinc/79/17/54/950791754.db2.gz VSLBBUSXHACZMJ-JTQLQIEISA-N -1 3 382.428 0.808 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001575009626 950791767 /nfs/dbraw/zinc/79/17/67/950791767.db2.gz VSLBBUSXHACZMJ-JTQLQIEISA-N -1 3 382.428 0.808 20 0 GCADHM CC(C)N(C(=O)CN(C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001574765542 950792636 /nfs/dbraw/zinc/79/26/36/950792636.db2.gz DROHMIZSMUTTFK-ZDUSSCGKSA-N -1 3 390.492 0.890 20 0 GCADHM CC(C)(C)c1nc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001573884474 950795528 /nfs/dbraw/zinc/79/55/28/950795528.db2.gz NBRROCNRTPVYCE-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1nc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001573884474 950795542 /nfs/dbraw/zinc/79/55/42/950795542.db2.gz NBRROCNRTPVYCE-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573884342 950796284 /nfs/dbraw/zinc/79/62/84/950796284.db2.gz DDNSTPSPDNACQV-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573884342 950796303 /nfs/dbraw/zinc/79/63/03/950796303.db2.gz DDNSTPSPDNACQV-JTQLQIEISA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1noc(CNCC=CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573884653 950798871 /nfs/dbraw/zinc/79/88/71/950798871.db2.gz HNUFMKPZVWICMB-PLNGDYQASA-N -1 3 385.432 0.951 20 0 GCADHM CC(C)(C)c1noc(CNCC=CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573884653 950798894 /nfs/dbraw/zinc/79/88/94/950798894.db2.gz HNUFMKPZVWICMB-PLNGDYQASA-N -1 3 385.432 0.951 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)C1 ZINC001575632528 950799255 /nfs/dbraw/zinc/79/92/55/950799255.db2.gz LHQMKEAXKFOXJQ-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)C1 ZINC001575632528 950799275 /nfs/dbraw/zinc/79/92/75/950799275.db2.gz LHQMKEAXKFOXJQ-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cn[nH]c1 ZINC001574522941 950800317 /nfs/dbraw/zinc/80/03/17/950800317.db2.gz LYGFWLJOXSGZPJ-MNOVXSKESA-N -1 3 385.432 0.564 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cn[nH]c1 ZINC001574522941 950800329 /nfs/dbraw/zinc/80/03/29/950800329.db2.gz LYGFWLJOXSGZPJ-MNOVXSKESA-N -1 3 385.432 0.564 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574186255 950800846 /nfs/dbraw/zinc/80/08/46/950800846.db2.gz AJMGQEYJTYERJM-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574186255 950800873 /nfs/dbraw/zinc/80/08/73/950800873.db2.gz AJMGQEYJTYERJM-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)c1nccc(N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001573884701 950801297 /nfs/dbraw/zinc/80/12/97/950801297.db2.gz JCVBYTNPDJAOPC-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nccc(N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001573884701 950801319 /nfs/dbraw/zinc/80/13/19/950801319.db2.gz JCVBYTNPDJAOPC-SNVBAGLBSA-N -1 3 385.432 0.485 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)C1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574523103 950803052 /nfs/dbraw/zinc/80/30/52/950803052.db2.gz LYRLGRPYQDAZDV-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)C1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574523103 950803069 /nfs/dbraw/zinc/80/30/69/950803069.db2.gz LYRLGRPYQDAZDV-GHMZBOCLSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CN(C)CC(=O)NCC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765944 950803404 /nfs/dbraw/zinc/80/34/04/950803404.db2.gz GRTKUWIOUMIKTD-NSHDSACASA-N -1 3 376.465 0.407 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001573884943 950806465 /nfs/dbraw/zinc/80/64/65/950806465.db2.gz KGUCVZNXAIPAQA-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576219205 950806596 /nfs/dbraw/zinc/80/65/96/950806596.db2.gz SSWAIGOWOMJFNB-MEBBXXQBSA-N -1 3 382.432 0.298 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001573884943 950806489 /nfs/dbraw/zinc/80/64/89/950806489.db2.gz KGUCVZNXAIPAQA-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575633210 950808593 /nfs/dbraw/zinc/80/85/93/950808593.db2.gz QJNSIJVGCNAWGX-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC1(C)CC(CC(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575633210 950808603 /nfs/dbraw/zinc/80/86/03/950808603.db2.gz QJNSIJVGCNAWGX-GFCCVEGCSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C)c1nccc(N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573885048 950809111 /nfs/dbraw/zinc/80/91/11/950809111.db2.gz NJNBLVJNOTUXPL-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM CC(C)(C)c1nccc(N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573885048 950809138 /nfs/dbraw/zinc/80/91/38/950809138.db2.gz NJNBLVJNOTUXPL-NSHDSACASA-N -1 3 385.432 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001575009952 950809500 /nfs/dbraw/zinc/80/95/00/950809500.db2.gz ZGMDLRLKAYATPK-JTQLQIEISA-N -1 3 385.432 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766213 950811829 /nfs/dbraw/zinc/81/18/29/950811829.db2.gz LZLZGZOEZFZOTE-ZETCQYMHSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1c(F)cncc1F ZINC001575010136 950813198 /nfs/dbraw/zinc/81/31/98/950813198.db2.gz BBRPHDBDRDYRDV-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1c(F)cncc1F ZINC001575010136 950813216 /nfs/dbraw/zinc/81/32/16/950813216.db2.gz BBRPHDBDRDYRDV-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)co1 ZINC001573885116 950815657 /nfs/dbraw/zinc/81/56/57/950815657.db2.gz PKPVRHBZLWRFOC-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)co1 ZINC001573885116 950815684 /nfs/dbraw/zinc/81/56/84/950815684.db2.gz PKPVRHBZLWRFOC-SNVBAGLBSA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1nccc(N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)n1 ZINC001573885104 950817568 /nfs/dbraw/zinc/81/75/68/950817568.db2.gz OVOLEZZSNJOATM-OLZOCXBDSA-N -1 3 397.443 0.262 20 0 GCADHM CC(C)(C)c1nccc(N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)n1 ZINC001573885104 950817602 /nfs/dbraw/zinc/81/76/02/950817602.db2.gz OVOLEZZSNJOATM-OLZOCXBDSA-N -1 3 397.443 0.262 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575010372 950818646 /nfs/dbraw/zinc/81/86/46/950818646.db2.gz FDJVHMAAHBEYCK-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001575010372 950818667 /nfs/dbraw/zinc/81/86/67/950818667.db2.gz FDJVHMAAHBEYCK-QWRGUYRKSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001576220076 950820345 /nfs/dbraw/zinc/82/03/45/950820345.db2.gz QHDWVUPHRNIRHY-PWSUYJOCSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576220076 950820360 /nfs/dbraw/zinc/82/03/60/950820360.db2.gz QHDWVUPHRNIRHY-PWSUYJOCSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ncccc3-c3nnn[n-]3)c2C1 ZINC001576220293 950828925 /nfs/dbraw/zinc/82/89/25/950828925.db2.gz WZOWLUHYQAIBNA-NSHDSACASA-N -1 3 381.444 0.976 20 0 GCADHM C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ncccc3-c3nn[n-]n3)c2C1 ZINC001576220293 950828949 /nfs/dbraw/zinc/82/89/49/950828949.db2.gz WZOWLUHYQAIBNA-NSHDSACASA-N -1 3 381.444 0.976 20 0 GCADHM C[C@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nnn[n-]4)cn3)nc2C1 ZINC001576220276 950829073 /nfs/dbraw/zinc/82/90/73/950829073.db2.gz WWUSAJXFWJMTHV-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM C[C@H]1CCn2cc(C(=O)NCCN(C)c3ccc(-c4nn[n-]n4)cn3)nc2C1 ZINC001576220276 950829095 /nfs/dbraw/zinc/82/90/95/950829095.db2.gz WWUSAJXFWJMTHV-LBPRGKRZSA-N -1 3 381.444 0.907 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001575010647 950829942 /nfs/dbraw/zinc/82/99/42/950829942.db2.gz HSYDBLMSGSSYAL-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001575010647 950829962 /nfs/dbraw/zinc/82/99/62/950829962.db2.gz HSYDBLMSGSSYAL-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001574187414 950832980 /nfs/dbraw/zinc/83/29/80/950832980.db2.gz PAWADMUHELKLGH-SWLSCSKDSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001574187414 950833009 /nfs/dbraw/zinc/83/30/09/950833009.db2.gz PAWADMUHELKLGH-SWLSCSKDSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574187415 950835830 /nfs/dbraw/zinc/83/58/30/950835830.db2.gz PAWADMUHELKLGH-WFASDCNBSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574187415 950835853 /nfs/dbraw/zinc/83/58/53/950835853.db2.gz PAWADMUHELKLGH-WFASDCNBSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001575010839 950839135 /nfs/dbraw/zinc/83/91/35/950839135.db2.gz JOYAIVVFXSKDNK-JTQLQIEISA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)n1cc(C(=O)N(C)[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001575010839 950839161 /nfs/dbraw/zinc/83/91/61/950839161.db2.gz JOYAIVVFXSKDNK-JTQLQIEISA-N -1 3 386.420 0.258 20 0 GCADHM CC(C)(C)c1nc[nH]c1C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573885961 950840563 /nfs/dbraw/zinc/84/05/63/950840563.db2.gz YWZOPUSIOGWESI-UHFFFAOYSA-N -1 3 383.416 0.470 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccon1 ZINC001574523898 950842892 /nfs/dbraw/zinc/84/28/92/950842892.db2.gz RXQBZGBVFNSDML-QWRGUYRKSA-N -1 3 386.416 0.829 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccon1 ZINC001574523898 950842914 /nfs/dbraw/zinc/84/29/14/950842914.db2.gz RXQBZGBVFNSDML-QWRGUYRKSA-N -1 3 386.416 0.829 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573887679 950847142 /nfs/dbraw/zinc/84/71/42/950847142.db2.gz IJFYIPLGWIDSGW-MGCOHNPYSA-N -1 3 385.432 0.926 20 0 GCADHM CC(C)(C)c1noc(CN[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573887679 950847156 /nfs/dbraw/zinc/84/71/56/950847156.db2.gz IJFYIPLGWIDSGW-MGCOHNPYSA-N -1 3 385.432 0.926 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCn1ccnc1 ZINC001574524270 950850848 /nfs/dbraw/zinc/85/08/48/950850848.db2.gz VBOKLDMANUQMOU-NEPJUHHUSA-N -1 3 385.432 0.495 20 0 GCADHM CC(C)CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574188672 950856470 /nfs/dbraw/zinc/85/64/70/950856470.db2.gz ZIFSGDDAROSLIC-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574188672 950856497 /nfs/dbraw/zinc/85/64/97/950856497.db2.gz ZIFSGDDAROSLIC-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767579 950856929 /nfs/dbraw/zinc/85/69/29/950856929.db2.gz RWXDXSZVIARBFL-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1coc(C2CC2)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767579 950856953 /nfs/dbraw/zinc/85/69/53/950856953.db2.gz RWXDXSZVIARBFL-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001575934380 950858129 /nfs/dbraw/zinc/85/81/29/950858129.db2.gz RBHKIRBDOSAHCJ-GZMMTYOYSA-N -1 3 387.379 0.555 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnsn1 ZINC001575934696 950860799 /nfs/dbraw/zinc/86/07/99/950860799.db2.gz SNIQPMRSILTTFS-XVKPBYJWSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnsn1 ZINC001575934696 950860814 /nfs/dbraw/zinc/86/08/14/950860814.db2.gz SNIQPMRSILTTFS-XVKPBYJWSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnsn1 ZINC001575934694 950863426 /nfs/dbraw/zinc/86/34/26/950863426.db2.gz SNIQPMRSILTTFS-OIBJUYFYSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnsn1 ZINC001575934694 950863440 /nfs/dbraw/zinc/86/34/40/950863440.db2.gz SNIQPMRSILTTFS-OIBJUYFYSA-N -1 3 375.393 0.967 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001574189239 950869061 /nfs/dbraw/zinc/86/90/61/950869061.db2.gz GJXWGFLPEQTHGO-DOMZBBRYSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001574189239 950869091 /nfs/dbraw/zinc/86/90/91/950869091.db2.gz GJXWGFLPEQTHGO-DOMZBBRYSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574189292 950873749 /nfs/dbraw/zinc/87/37/49/950873749.db2.gz HVLREQXUOMHJDC-LBPRGKRZSA-N -1 3 377.449 0.570 20 0 GCADHM CC(C)CCCC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574189292 950873761 /nfs/dbraw/zinc/87/37/61/950873761.db2.gz HVLREQXUOMHJDC-LBPRGKRZSA-N -1 3 377.449 0.570 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574527157 950875554 /nfs/dbraw/zinc/87/55/54/950875554.db2.gz AGAXNJDKHGKFOS-YUMQZZPRSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cnns1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574527157 950875566 /nfs/dbraw/zinc/87/55/66/950875566.db2.gz AGAXNJDKHGKFOS-YUMQZZPRSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C(C)(C)c1cccnc1 ZINC001575012114 950878758 /nfs/dbraw/zinc/87/87/58/950878758.db2.gz WSBLKTYJSORZAN-NSHDSACASA-N -1 3 382.428 0.802 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)c1cccnc1 ZINC001575012114 950878765 /nfs/dbraw/zinc/87/87/65/950878765.db2.gz WSBLKTYJSORZAN-NSHDSACASA-N -1 3 382.428 0.802 20 0 GCADHM CC(C)CCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574189425 950881160 /nfs/dbraw/zinc/88/11/60/950881160.db2.gz KOJSGBDJXCDFOI-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574189425 950881173 /nfs/dbraw/zinc/88/11/73/950881173.db2.gz KOJSGBDJXCDFOI-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575935555 950882277 /nfs/dbraw/zinc/88/22/77/950882277.db2.gz XXAPDYYVVCMYTM-KCJUWKMLSA-N -1 3 385.363 0.199 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001575935555 950882294 /nfs/dbraw/zinc/88/22/94/950882294.db2.gz XXAPDYYVVCMYTM-KCJUWKMLSA-N -1 3 385.363 0.199 20 0 GCADHM CC(C)(C)n1ncnc1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573893433 950885653 /nfs/dbraw/zinc/88/56/53/950885653.db2.gz FZJMNGZGLDCUQX-UHFFFAOYSA-N -1 3 384.448 0.499 20 0 GCADHM CC(C)(C)n1ncnc1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573893433 950885670 /nfs/dbraw/zinc/88/56/70/950885670.db2.gz FZJMNGZGLDCUQX-UHFFFAOYSA-N -1 3 384.448 0.499 20 0 GCADHM C[C@H](CN(C)CC(=O)Nc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574768279 950886016 /nfs/dbraw/zinc/88/60/16/950886016.db2.gz SUEYZKMEHWJPBR-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H](CN(C)CC(=O)Nc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768279 950886031 /nfs/dbraw/zinc/88/60/31/950886031.db2.gz SUEYZKMEHWJPBR-GFCCVEGCSA-N -1 3 382.428 0.884 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOCC1 ZINC001575935697 950888824 /nfs/dbraw/zinc/88/88/24/950888824.db2.gz AGIUJFZMGPKADK-DZGCQCFKSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935697 950888847 /nfs/dbraw/zinc/88/88/47/950888847.db2.gz AGIUJFZMGPKADK-DZGCQCFKSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nnn(C(C)(C)C)n1 ZINC001575012387 950888986 /nfs/dbraw/zinc/88/89/86/950888986.db2.gz ZJYPSZPWPNMXPB-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nnn(C(C)(C)C)n1 ZINC001575012387 950889009 /nfs/dbraw/zinc/88/90/09/950889009.db2.gz ZJYPSZPWPNMXPB-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574768569 950889217 /nfs/dbraw/zinc/88/92/17/950889217.db2.gz ZHOPBCDIWWEIOB-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576226503 950889038 /nfs/dbraw/zinc/88/90/38/950889038.db2.gz BWWGSQGYFPMKEM-RISCZKNCSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576226503 950889060 /nfs/dbraw/zinc/88/90/60/950889060.db2.gz BWWGSQGYFPMKEM-RISCZKNCSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@H](CN(C)C(=O)c1ncc(F)cc1F)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768569 950889231 /nfs/dbraw/zinc/88/92/31/950889231.db2.gz ZHOPBCDIWWEIOB-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1(c2ccccn2)CC1 ZINC001575013599 950890055 /nfs/dbraw/zinc/89/00/55/950890055.db2.gz AQQFTQUNJBOXIY-NSHDSACASA-N -1 3 380.412 0.556 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1(c2ccccn2)CC1 ZINC001575013599 950890069 /nfs/dbraw/zinc/89/00/69/950890069.db2.gz AQQFTQUNJBOXIY-NSHDSACASA-N -1 3 380.412 0.556 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1conc1C1CC1 ZINC001575012552 950890993 /nfs/dbraw/zinc/89/09/93/950890993.db2.gz ZNZIDMOCJBEDJP-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573893571 950890957 /nfs/dbraw/zinc/89/09/57/950890957.db2.gz LINQVWFRHSTAQH-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573893571 950890972 /nfs/dbraw/zinc/89/09/72/950890972.db2.gz LINQVWFRHSTAQH-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1conc1C1CC1 ZINC001575012552 950891009 /nfs/dbraw/zinc/89/10/09/950891009.db2.gz ZNZIDMOCJBEDJP-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575935755 950892104 /nfs/dbraw/zinc/89/21/04/950892104.db2.gz BECGRRSCACNNPA-PWSUYJOCSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575935755 950892115 /nfs/dbraw/zinc/89/21/15/950892115.db2.gz BECGRRSCACNNPA-PWSUYJOCSA-N -1 3 381.400 0.071 20 0 GCADHM CC(C)(C)n1ncnc1CNC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573893668 950892275 /nfs/dbraw/zinc/89/22/75/950892275.db2.gz QQBZFMCBJBAUIX-UHFFFAOYSA-N -1 3 384.448 0.594 20 0 GCADHM CC(C)(C)n1ncnc1CNC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573893668 950892291 /nfs/dbraw/zinc/89/22/91/950892291.db2.gz QQBZFMCBJBAUIX-UHFFFAOYSA-N -1 3 384.448 0.594 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC001575014080 950894198 /nfs/dbraw/zinc/89/41/98/950894198.db2.gz CWHLHCZCAMYBMB-NXEZZACHSA-N -1 3 383.416 0.273 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)n1 ZINC001573893641 950895391 /nfs/dbraw/zinc/89/53/91/950895391.db2.gz OPEYMXBKVJXYFT-SNVBAGLBSA-N -1 3 383.420 0.012 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)n1 ZINC001573893641 950895404 /nfs/dbraw/zinc/89/54/04/950895404.db2.gz OPEYMXBKVJXYFT-SNVBAGLBSA-N -1 3 383.420 0.012 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001575014083 950896349 /nfs/dbraw/zinc/89/63/49/950896349.db2.gz CWHLHCZCAMYBMB-UWVGGRQHSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576226917 950896721 /nfs/dbraw/zinc/89/67/21/950896721.db2.gz DCRFODNWYGYKMZ-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CN(C(=O)C2CCOCC2)CC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576226917 950896737 /nfs/dbraw/zinc/89/67/37/950896737.db2.gz DCRFODNWYGYKMZ-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN(Cc2cnon2)C1 ZINC001575640438 950897234 /nfs/dbraw/zinc/89/72/34/950897234.db2.gz HGEAISHIMRBGBO-GFCCVEGCSA-N -1 3 385.432 0.998 20 0 GCADHM CC1(C)C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN(Cc2cnon2)C1 ZINC001575640438 950897250 /nfs/dbraw/zinc/89/72/50/950897250.db2.gz HGEAISHIMRBGBO-GFCCVEGCSA-N -1 3 385.432 0.998 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001573893674 950900484 /nfs/dbraw/zinc/90/04/84/950900484.db2.gz QWYYVYSZOBQIGE-JTQLQIEISA-N -1 3 383.420 0.330 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001573893674 950900501 /nfs/dbraw/zinc/90/05/01/950900501.db2.gz QWYYVYSZOBQIGE-JTQLQIEISA-N -1 3 383.420 0.330 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccn(C(F)F)n1 ZINC001575014111 950901654 /nfs/dbraw/zinc/90/16/54/950901654.db2.gz DEMMISUDRKHZBH-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccn(C(F)F)n1 ZINC001575014111 950901672 /nfs/dbraw/zinc/90/16/72/950901672.db2.gz DEMMISUDRKHZBH-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCC[C@@H]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768872 950904660 /nfs/dbraw/zinc/90/46/60/950904660.db2.gz WVWMJAIZKCMQTE-STQMWFEESA-N -1 3 388.476 0.646 20 0 GCADHM CC(C)(C)n1nnc(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001573893821 950905167 /nfs/dbraw/zinc/90/51/67/950905167.db2.gz YDEDKWYCJBLOHN-UHFFFAOYSA-N -1 3 382.432 0.222 20 0 GCADHM CC(C)(C)n1nnc(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001573893821 950905192 /nfs/dbraw/zinc/90/51/92/950905192.db2.gz YDEDKWYCJBLOHN-UHFFFAOYSA-N -1 3 382.432 0.222 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCC[C@H]1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768871 950907743 /nfs/dbraw/zinc/90/77/43/950907743.db2.gz WVWMJAIZKCMQTE-QWHCGFSZSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575014741 950908736 /nfs/dbraw/zinc/90/87/36/950908736.db2.gz IRLZZOLSJAZUJL-KGYLQXTDSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575014741 950908748 /nfs/dbraw/zinc/90/87/48/950908748.db2.gz IRLZZOLSJAZUJL-KGYLQXTDSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CC2)n1 ZINC001573893846 950910082 /nfs/dbraw/zinc/91/00/82/950910082.db2.gz ZGJUKKLNIARKSY-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CC2)n1 ZINC001573893846 950910095 /nfs/dbraw/zinc/91/00/95/950910095.db2.gz ZGJUKKLNIARKSY-UHFFFAOYSA-N -1 3 382.432 0.983 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001573893932 950912474 /nfs/dbraw/zinc/91/24/74/950912474.db2.gz CSYXRZBDRCHLJO-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001573893932 950912485 /nfs/dbraw/zinc/91/24/85/950912485.db2.gz CSYXRZBDRCHLJO-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1csc(=O)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527912 950915549 /nfs/dbraw/zinc/91/55/49/950915549.db2.gz ILQZVEMOCWDQIO-HTQZYQBOSA-N -1 3 390.429 0.684 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574190756 950919005 /nfs/dbraw/zinc/91/90/05/950919005.db2.gz AABXHCUDXKNDKX-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574190756 950919020 /nfs/dbraw/zinc/91/90/20/950919020.db2.gz AABXHCUDXKNDKX-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001575015306 950930191 /nfs/dbraw/zinc/93/01/91/950930191.db2.gz OYWFMEZVMFBEDM-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(Cl)n(C)n1 ZINC001575015306 950930209 /nfs/dbraw/zinc/93/02/09/950930209.db2.gz OYWFMEZVMFBEDM-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM CC(C)(C)n1cc(CNC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)nn1 ZINC001573894537 950931338 /nfs/dbraw/zinc/93/13/38/950931338.db2.gz VPKHCDZYNQGOAX-UHFFFAOYSA-N -1 3 384.448 0.594 20 0 GCADHM CC(C)(C)n1cc(CNC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)nn1 ZINC001573894537 950931353 /nfs/dbraw/zinc/93/13/53/950931353.db2.gz VPKHCDZYNQGOAX-UHFFFAOYSA-N -1 3 384.448 0.594 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001573894527 950934837 /nfs/dbraw/zinc/93/48/37/950934837.db2.gz USPGLXZMYIPPRY-NSHDSACASA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001573894527 950934851 /nfs/dbraw/zinc/93/48/51/950934851.db2.gz USPGLXZMYIPPRY-NSHDSACASA-N -1 3 382.432 0.935 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575937156 950937239 /nfs/dbraw/zinc/93/72/39/950937239.db2.gz JJWQGOYWKFVZLK-MWLCHTKSSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575937156 950937253 /nfs/dbraw/zinc/93/72/53/950937253.db2.gz JJWQGOYWKFVZLK-MWLCHTKSSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575937130 950937551 /nfs/dbraw/zinc/93/75/51/950937551.db2.gz CLKNCWUHDVVKRH-NEPJUHHUSA-N -1 3 375.433 0.540 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575937130 950937564 /nfs/dbraw/zinc/93/75/64/950937564.db2.gz CLKNCWUHDVVKRH-NEPJUHHUSA-N -1 3 375.433 0.540 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nnn[n-]2)n1 ZINC001573894768 950938512 /nfs/dbraw/zinc/93/85/12/950938512.db2.gz ZJFHVOLORWAZRO-NSHDSACASA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)n1 ZINC001573894768 950938531 /nfs/dbraw/zinc/93/85/31/950938531.db2.gz ZJFHVOLORWAZRO-NSHDSACASA-N -1 3 385.432 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001575015528 950939708 /nfs/dbraw/zinc/93/97/08/950939708.db2.gz SFPBNTNCBXDMIQ-LURJTMIESA-N -1 3 379.331 0.404 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C(F)F)n[nH]1 ZINC001575015528 950939718 /nfs/dbraw/zinc/93/97/18/950939718.db2.gz SFPBNTNCBXDMIQ-LURJTMIESA-N -1 3 379.331 0.404 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575937333 950946812 /nfs/dbraw/zinc/94/68/12/950946812.db2.gz KIMMVZUMHSTVGN-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575937333 950946828 /nfs/dbraw/zinc/94/68/28/950946828.db2.gz KIMMVZUMHSTVGN-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCc2cccnc21 ZINC001575016005 950957770 /nfs/dbraw/zinc/95/77/70/950957770.db2.gz ZUWXQHMSUWSDCO-JQWIXIFHSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCc2cccnc21 ZINC001575016005 950957786 /nfs/dbraw/zinc/95/77/86/950957786.db2.gz ZUWXQHMSUWSDCO-JQWIXIFHSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCS(C)(=O)=O ZINC001575938072 950970441 /nfs/dbraw/zinc/97/04/41/950970441.db2.gz MOIZHBDUWIFIPA-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCS(C)(=O)=O ZINC001575938072 950970459 /nfs/dbraw/zinc/97/04/59/950970459.db2.gz MOIZHBDUWIFIPA-CMPLNLGQSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576229517 950972527 /nfs/dbraw/zinc/97/25/27/950972527.db2.gz KAJKOLBFPHNWIG-MFKMUULPSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@@H]1CN(C(=O)C2(F)CCOCC2)C[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576229517 950972544 /nfs/dbraw/zinc/97/25/44/950972544.db2.gz KAJKOLBFPHNWIG-MFKMUULPSA-N -1 3 391.407 0.290 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575017191 950981010 /nfs/dbraw/zinc/98/10/10/950981010.db2.gz BSVSWTKTSPGURV-SSDOTTSWSA-N -1 3 389.807 0.573 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575017191 950981031 /nfs/dbraw/zinc/98/10/31/950981031.db2.gz BSVSWTKTSPGURV-SSDOTTSWSA-N -1 3 389.807 0.573 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)C1=COCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530623 950986192 /nfs/dbraw/zinc/98/61/92/950986192.db2.gz CPHJYQNAVCXSIH-UWVGGRQHSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)C1=COCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530623 950986202 /nfs/dbraw/zinc/98/62/02/950986202.db2.gz CPHJYQNAVCXSIH-UWVGGRQHSA-N -1 3 375.389 0.096 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575017416 950994441 /nfs/dbraw/zinc/99/44/41/950994441.db2.gz FOLBBHYWKWDOQR-ZETCQYMHSA-N -1 3 375.780 0.641 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575017416 950994459 /nfs/dbraw/zinc/99/44/59/950994459.db2.gz FOLBBHYWKWDOQR-ZETCQYMHSA-N -1 3 375.780 0.641 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575644865 950996601 /nfs/dbraw/zinc/99/66/01/950996601.db2.gz YKYORLWJECUVKF-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575644865 950996620 /nfs/dbraw/zinc/99/66/20/950996620.db2.gz YKYORLWJECUVKF-VXGBXAGGSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575644864 950996781 /nfs/dbraw/zinc/99/67/81/950996781.db2.gz YKYORLWJECUVKF-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575644864 950996805 /nfs/dbraw/zinc/99/68/05/950996805.db2.gz YKYORLWJECUVKF-RYUDHWBXSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001575017551 951001474 /nfs/dbraw/zinc/00/14/74/951001474.db2.gz HSTDFBZJVSLIGD-VIFPVBQESA-N -1 3 386.391 0.911 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001575017551 951001496 /nfs/dbraw/zinc/00/14/96/951001496.db2.gz HSTDFBZJVSLIGD-VIFPVBQESA-N -1 3 386.391 0.911 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC001575017558 951001673 /nfs/dbraw/zinc/00/16/73/951001673.db2.gz LGXBFLOEPGAUMQ-XPTSAGLGSA-N -1 3 386.391 0.268 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575644997 951004746 /nfs/dbraw/zinc/00/47/46/951004746.db2.gz YURYRONPGKZGPO-LBPRGKRZSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575644997 951004767 /nfs/dbraw/zinc/00/47/67/951004767.db2.gz YURYRONPGKZGPO-LBPRGKRZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1cnn(C)c1 ZINC001574530922 951004942 /nfs/dbraw/zinc/00/49/42/951004942.db2.gz DSVNTJXPROTINZ-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1cnn(C)c1 ZINC001574530922 951004966 /nfs/dbraw/zinc/00/49/66/951004966.db2.gz DSVNTJXPROTINZ-GHMZBOCLSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1cnn(C)c1 ZINC001574530924 951006641 /nfs/dbraw/zinc/00/66/41/951006641.db2.gz DSVNTJXPROTINZ-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1cnn(C)c1 ZINC001574530924 951006664 /nfs/dbraw/zinc/00/66/64/951006664.db2.gz DSVNTJXPROTINZ-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1cn(-c2ccccc2)nn1 ZINC001575017832 951011763 /nfs/dbraw/zinc/01/17/63/951011763.db2.gz NWKKFAFIIVUVME-LBPRGKRZSA-N -1 3 392.427 0.684 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575018673 951024869 /nfs/dbraw/zinc/02/48/69/951024869.db2.gz OIHHBLHOBSWCKJ-SECBINFHSA-N -1 3 384.375 0.730 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575018673 951024887 /nfs/dbraw/zinc/02/48/87/951024887.db2.gz OIHHBLHOBSWCKJ-SECBINFHSA-N -1 3 384.375 0.730 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001575019299 951037270 /nfs/dbraw/zinc/03/72/70/951037270.db2.gz SHOPQHOHZYXVKA-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001575019299 951037287 /nfs/dbraw/zinc/03/72/87/951037287.db2.gz SHOPQHOHZYXVKA-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575019473 951037682 /nfs/dbraw/zinc/03/76/82/951037682.db2.gz TYOBBIUDIHGOKO-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575019473 951037696 /nfs/dbraw/zinc/03/76/96/951037696.db2.gz TYOBBIUDIHGOKO-SNVBAGLBSA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575019510 951042020 /nfs/dbraw/zinc/04/20/20/951042020.db2.gz UARDMJNLKAMVDH-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575019510 951042031 /nfs/dbraw/zinc/04/20/31/951042031.db2.gz UARDMJNLKAMVDH-JTQLQIEISA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575022102 951067452 /nfs/dbraw/zinc/06/74/52/951067452.db2.gz HHIROBDRJAUONE-VIFPVBQESA-N -1 3 384.375 0.730 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575022102 951067460 /nfs/dbraw/zinc/06/74/60/951067460.db2.gz HHIROBDRJAUONE-VIFPVBQESA-N -1 3 384.375 0.730 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575021656 951068430 /nfs/dbraw/zinc/06/84/30/951068430.db2.gz FGHQYHCENIZGFH-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575021656 951068444 /nfs/dbraw/zinc/06/84/44/951068444.db2.gz FGHQYHCENIZGFH-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575024447 951104928 /nfs/dbraw/zinc/10/49/28/951104928.db2.gz DYCZIGNZCGCGCU-JTQLQIEISA-N -1 3 381.396 0.773 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(c1)COC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575024447 951104945 /nfs/dbraw/zinc/10/49/45/951104945.db2.gz DYCZIGNZCGCGCU-JTQLQIEISA-N -1 3 381.396 0.773 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575024757 951115559 /nfs/dbraw/zinc/11/55/59/951115559.db2.gz MDHDWCLTCSTUDW-JTQLQIEISA-N -1 3 382.384 0.658 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575024757 951115566 /nfs/dbraw/zinc/11/55/66/951115566.db2.gz MDHDWCLTCSTUDW-JTQLQIEISA-N -1 3 382.384 0.658 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575024758 951115908 /nfs/dbraw/zinc/11/59/08/951115908.db2.gz MDHDWCLTCSTUDW-SNVBAGLBSA-N -1 3 382.384 0.658 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575024758 951115919 /nfs/dbraw/zinc/11/59/19/951115919.db2.gz MDHDWCLTCSTUDW-SNVBAGLBSA-N -1 3 382.384 0.658 20 0 GCADHM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575024855 951117384 /nfs/dbraw/zinc/11/73/84/951117384.db2.gz OASKVVKLIYWGEN-SECBINFHSA-N -1 3 391.413 0.489 20 0 GCADHM C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575024855 951117397 /nfs/dbraw/zinc/11/73/97/951117397.db2.gz OASKVVKLIYWGEN-SECBINFHSA-N -1 3 391.413 0.489 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(c1)COC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575024864 951118170 /nfs/dbraw/zinc/11/81/70/951118170.db2.gz OLSORRDWOAUFLV-SNVBAGLBSA-N -1 3 381.396 0.773 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(c1)COC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575024864 951118176 /nfs/dbraw/zinc/11/81/76/951118176.db2.gz OLSORRDWOAUFLV-SNVBAGLBSA-N -1 3 381.396 0.773 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ncccc1-c1nnn[n-]1 ZINC001575025154 951128505 /nfs/dbraw/zinc/12/85/05/951128505.db2.gz WEWZCVYPTGXPRJ-SNVBAGLBSA-N -1 3 382.384 0.658 20 0 GCADHM C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ncccc1-c1nn[n-]n1 ZINC001575025154 951128511 /nfs/dbraw/zinc/12/85/11/951128511.db2.gz WEWZCVYPTGXPRJ-SNVBAGLBSA-N -1 3 382.384 0.658 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nnn(C)c2c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575026633 951145773 /nfs/dbraw/zinc/14/57/73/951145773.db2.gz LMPDNXKHZSDYNF-LLVKDONJSA-N -1 3 392.427 0.798 20 0 GCADHM C[C@H](CNC(=O)c1ccc2nnn(C)c2c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575026633 951145777 /nfs/dbraw/zinc/14/57/77/951145777.db2.gz LMPDNXKHZSDYNF-LLVKDONJSA-N -1 3 392.427 0.798 20 0 GCADHM C[C@H](CNC(=O)c1ccccc1-n1cnnn1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575027193 951155775 /nfs/dbraw/zinc/15/57/75/951155775.db2.gz DBUPPNFWFZRPPT-LLVKDONJSA-N -1 3 391.399 0.468 20 0 GCADHM C[C@H](CNC(=O)c1ccccc1-n1cnnn1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575027193 951155780 /nfs/dbraw/zinc/15/57/80/951155780.db2.gz DBUPPNFWFZRPPT-LLVKDONJSA-N -1 3 391.399 0.468 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575027540 951159889 /nfs/dbraw/zinc/15/98/89/951159889.db2.gz RTKYFAPUHSJBSV-LLVKDONJSA-N -1 3 380.412 0.615 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575027540 951159897 /nfs/dbraw/zinc/15/98/97/951159897.db2.gz RTKYFAPUHSJBSV-LLVKDONJSA-N -1 3 380.412 0.615 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575027541 951160001 /nfs/dbraw/zinc/16/00/01/951160001.db2.gz RTKYFAPUHSJBSV-NSHDSACASA-N -1 3 380.412 0.615 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575027541 951160006 /nfs/dbraw/zinc/16/00/06/951160006.db2.gz RTKYFAPUHSJBSV-NSHDSACASA-N -1 3 380.412 0.615 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2ncn(C)c2n1)Nc1ncccc1-c1nnn[n-]1 ZINC001575028086 951167245 /nfs/dbraw/zinc/16/72/45/951167245.db2.gz UQZKKHCCCSEYGN-JTQLQIEISA-N -1 3 378.400 0.774 20 0 GCADHM C[C@@H](CNC(=O)c1ccc2ncn(C)c2n1)Nc1ncccc1-c1nn[n-]n1 ZINC001575028086 951167255 /nfs/dbraw/zinc/16/72/55/951167255.db2.gz UQZKKHCCCSEYGN-JTQLQIEISA-N -1 3 378.400 0.774 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575031870 951206944 /nfs/dbraw/zinc/20/69/44/951206944.db2.gz KUNOWFIFMBAKTL-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@H](CNC(=O)c1cccnc1C(N)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575031870 951206958 /nfs/dbraw/zinc/20/69/58/951206958.db2.gz KUNOWFIFMBAKTL-SNVBAGLBSA-N -1 3 381.400 0.234 20 0 GCADHM C[C@@](CNC(=O)c1cccnn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575032179 951217654 /nfs/dbraw/zinc/21/76/54/951217654.db2.gz SNOSVZZKVMRBAS-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1cccnn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575032179 951217659 /nfs/dbraw/zinc/21/76/59/951217659.db2.gz SNOSVZZKVMRBAS-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575034647 951254497 /nfs/dbraw/zinc/25/44/97/951254497.db2.gz PEQVRCCLUGUMCP-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1ccnn1C1CCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575034647 951254506 /nfs/dbraw/zinc/25/45/06/951254506.db2.gz PEQVRCCLUGUMCP-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575035588 951280805 /nfs/dbraw/zinc/28/08/05/951280805.db2.gz YTJVMXAFVXEBHS-SECBINFHSA-N -1 3 379.384 0.382 20 0 GCADHM C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575035588 951280817 /nfs/dbraw/zinc/28/08/17/951280817.db2.gz YTJVMXAFVXEBHS-SECBINFHSA-N -1 3 379.384 0.382 20 0 GCADHM C[C@@H](CNC(=O)c1ccnc(-n2ccnc2)c1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575035823 951284885 /nfs/dbraw/zinc/28/48/85/951284885.db2.gz MHDUEWBSXRNYMU-NSHDSACASA-N -1 3 391.399 0.468 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001575036448 951295450 /nfs/dbraw/zinc/29/54/50/951295450.db2.gz SCJMVBBPZGPAEJ-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001575036448 951295457 /nfs/dbraw/zinc/29/54/57/951295457.db2.gz SCJMVBBPZGPAEJ-LLVKDONJSA-N -1 3 385.432 0.768 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575037626 951308583 /nfs/dbraw/zinc/30/85/83/951308583.db2.gz BUSOODPDBQMOPQ-SNVBAGLBSA-N -1 3 384.400 0.361 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575037626 951308595 /nfs/dbraw/zinc/30/85/95/951308595.db2.gz BUSOODPDBQMOPQ-SNVBAGLBSA-N -1 3 384.400 0.361 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001575037837 951312456 /nfs/dbraw/zinc/31/24/56/951312456.db2.gz CYQPYUUKJXVWMU-SNVBAGLBSA-N -1 3 386.420 0.163 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001575037837 951312474 /nfs/dbraw/zinc/31/24/74/951312474.db2.gz CYQPYUUKJXVWMU-SNVBAGLBSA-N -1 3 386.420 0.163 20 0 GCADHM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575038878 951325523 /nfs/dbraw/zinc/32/55/23/951325523.db2.gz MPBVKYODBUQMIY-LLVKDONJSA-N -1 3 384.448 0.863 20 0 GCADHM C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575038878 951325536 /nfs/dbraw/zinc/32/55/36/951325536.db2.gz MPBVKYODBUQMIY-LLVKDONJSA-N -1 3 384.448 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575042604 951367014 /nfs/dbraw/zinc/36/70/14/951367014.db2.gz AOBYXWKZLKOXPJ-NSHDSACASA-N -1 3 383.416 0.243 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575042604 951367030 /nfs/dbraw/zinc/36/70/30/951367030.db2.gz AOBYXWKZLKOXPJ-NSHDSACASA-N -1 3 383.416 0.243 20 0 GCADHM CC(C)(C)NS(=O)(=O)C1(CN[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001602869875 971741240 /nfs/dbraw/zinc/74/12/40/971741240.db2.gz HGWWEEUJZBCAPP-LBPRGKRZSA-N -1 3 375.491 0.292 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575042807 951372581 /nfs/dbraw/zinc/37/25/81/951372581.db2.gz CKYMWQKJGDUNOW-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575042807 951372593 /nfs/dbraw/zinc/37/25/93/951372593.db2.gz CKYMWQKJGDUNOW-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575042941 951377199 /nfs/dbraw/zinc/37/71/99/951377199.db2.gz DOJYQCMVLYENIX-ZETCQYMHSA-N -1 3 375.780 0.641 20 0 GCADHM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575042941 951377210 /nfs/dbraw/zinc/37/72/10/951377210.db2.gz DOJYQCMVLYENIX-ZETCQYMHSA-N -1 3 375.780 0.641 20 0 GCADHM C[C@H](CNC(=O)c1cn2ccccc2n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575043473 951393548 /nfs/dbraw/zinc/39/35/48/951393548.db2.gz JYIQKAJFTIWGSS-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1cn2ccccc2n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575043473 951393561 /nfs/dbraw/zinc/39/35/61/951393561.db2.gz JYIQKAJFTIWGSS-SNVBAGLBSA-N -1 3 379.384 0.391 20 0 GCADHM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575043436 951393925 /nfs/dbraw/zinc/39/39/25/951393925.db2.gz JFACWBXOMYAEGF-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1cnc(C2CC2)nc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575043436 951393935 /nfs/dbraw/zinc/39/39/35/951393935.db2.gz JFACWBXOMYAEGF-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575043442 951394526 /nfs/dbraw/zinc/39/45/26/951394526.db2.gz JHICKJFUMQMVPY-JOYOIKCWSA-N -1 3 384.404 0.462 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575043578 951399029 /nfs/dbraw/zinc/39/90/29/951399029.db2.gz UYEUFSXVHSLOGY-QMMMGPOBSA-N -1 3 391.823 0.832 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCC2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575043916 951406216 /nfs/dbraw/zinc/40/62/16/951406216.db2.gz WOSXAPIJSRKRST-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575043916 951406222 /nfs/dbraw/zinc/40/62/22/951406222.db2.gz WOSXAPIJSRKRST-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575044072 951408754 /nfs/dbraw/zinc/40/87/54/951408754.db2.gz PBAYXCRIJFDONS-LLVKDONJSA-N -1 3 382.432 0.596 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575044072 951408758 /nfs/dbraw/zinc/40/87/58/951408758.db2.gz PBAYXCRIJFDONS-LLVKDONJSA-N -1 3 382.432 0.596 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575044271 951410691 /nfs/dbraw/zinc/41/06/91/951410691.db2.gz YJZIYFLJNHFWGU-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575044271 951410698 /nfs/dbraw/zinc/41/06/98/951410698.db2.gz YJZIYFLJNHFWGU-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575044242 951411229 /nfs/dbraw/zinc/41/12/29/951411229.db2.gz YDWMFUCWEZBCHN-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)CCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575044242 951411238 /nfs/dbraw/zinc/41/12/38/951411238.db2.gz YDWMFUCWEZBCHN-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575044365 951412760 /nfs/dbraw/zinc/41/27/60/951412760.db2.gz RLQOZSYSKIWIHX-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575044365 951412772 /nfs/dbraw/zinc/41/27/72/951412772.db2.gz RLQOZSYSKIWIHX-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)COCC2)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575044393 951416398 /nfs/dbraw/zinc/41/63/98/951416398.db2.gz RSLMJYVLKJTFQG-SECBINFHSA-N -1 3 387.379 0.358 20 0 GCADHM C[C@H](CNC(=O)c1cn2c(n1)COCC2)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575044393 951416403 /nfs/dbraw/zinc/41/64/03/951416403.db2.gz RSLMJYVLKJTFQG-SECBINFHSA-N -1 3 387.379 0.358 20 0 GCADHM C[C@H](CNC(=O)c1cncnc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575045573 951428520 /nfs/dbraw/zinc/42/85/20/951428520.db2.gz DMYMTSDBZKZQAL-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1cncnc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575045573 951428528 /nfs/dbraw/zinc/42/85/28/951428528.db2.gz DMYMTSDBZKZQAL-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575045990 951435857 /nfs/dbraw/zinc/43/58/57/951435857.db2.gz KKNVUHZNDINTPU-LLVKDONJSA-N -1 3 383.416 0.466 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575045990 951435861 /nfs/dbraw/zinc/43/58/61/951435861.db2.gz KKNVUHZNDINTPU-LLVKDONJSA-N -1 3 383.416 0.466 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575046035 951439203 /nfs/dbraw/zinc/43/92/03/951439203.db2.gz KUBFMUDBAKJVTG-JTQLQIEISA-N -1 3 386.391 0.963 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575046035 951439205 /nfs/dbraw/zinc/43/92/05/951439205.db2.gz KUBFMUDBAKJVTG-JTQLQIEISA-N -1 3 386.391 0.963 20 0 GCADHM C[C@](CNC(=O)c1cnccn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575046696 951446106 /nfs/dbraw/zinc/44/61/06/951446106.db2.gz RDFVXYMIHXGEOF-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1cnccn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575046696 951446109 /nfs/dbraw/zinc/44/61/09/951446109.db2.gz RDFVXYMIHXGEOF-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2nccnc2c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575047175 951455039 /nfs/dbraw/zinc/45/50/39/951455039.db2.gz YMUBOIJSWDBYRO-JTQLQIEISA-N -1 3 376.384 0.830 20 0 GCADHM C[C@@H](CNC(=O)c1cnc2nccnc2c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575047175 951455042 /nfs/dbraw/zinc/45/50/42/951455042.db2.gz YMUBOIJSWDBYRO-JTQLQIEISA-N -1 3 376.384 0.830 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001575051959 951456650 /nfs/dbraw/zinc/45/66/50/951456650.db2.gz BWPDQMRPCKQKRA-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001575051959 951456659 /nfs/dbraw/zinc/45/66/59/951456659.db2.gz BWPDQMRPCKQKRA-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575053093 951473336 /nfs/dbraw/zinc/47/33/36/951473336.db2.gz QKZVQMMUDCPWBP-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575053093 951473350 /nfs/dbraw/zinc/47/33/50/951473350.db2.gz QKZVQMMUDCPWBP-JTQLQIEISA-N -1 3 383.416 0.665 20 0 GCADHM C[C@@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575053218 951475636 /nfs/dbraw/zinc/47/56/36/951475636.db2.gz AGVYZCFFBGZXDS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575053218 951475638 /nfs/dbraw/zinc/47/56/38/951475638.db2.gz AGVYZCFFBGZXDS-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053634 951479487 /nfs/dbraw/zinc/47/94/87/951479487.db2.gz SONPQEXMBIHEGY-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C2CCC2)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053634 951479501 /nfs/dbraw/zinc/47/95/01/951479501.db2.gz SONPQEXMBIHEGY-SNVBAGLBSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@](CNC(=O)c1cnns1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575053786 951484716 /nfs/dbraw/zinc/48/47/16/951484716.db2.gz DWFOQBAUVNHGAC-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1cnns1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575053786 951484736 /nfs/dbraw/zinc/48/47/36/951484736.db2.gz DWFOQBAUVNHGAC-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055443 951504927 /nfs/dbraw/zinc/50/49/27/951504927.db2.gz UKRJIWHTZDFXEK-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055443 951504936 /nfs/dbraw/zinc/50/49/36/951504936.db2.gz UKRJIWHTZDFXEK-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055934 951513789 /nfs/dbraw/zinc/51/37/89/951513789.db2.gz CRQXCDZZINALBW-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@H](CNC(=O)c1coc(C2CCC2)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055934 951513793 /nfs/dbraw/zinc/51/37/93/951513793.db2.gz CRQXCDZZINALBW-SECBINFHSA-N -1 3 384.400 0.999 20 0 GCADHM C[C@H](CNC(=O)c1conc1C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575056638 951523731 /nfs/dbraw/zinc/52/37/31/951523731.db2.gz KETVYSHVZZXOOC-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1conc1C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575056638 951523743 /nfs/dbraw/zinc/52/37/43/951523743.db2.gz KETVYSHVZZXOOC-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575057369 951528232 /nfs/dbraw/zinc/52/82/32/951528232.db2.gz OPXXOLCLLUKTSD-VIFPVBQESA-N -1 3 384.400 0.684 20 0 GCADHM C[C@@H](CNC(=O)c1coc(CC2CC2)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575057369 951528243 /nfs/dbraw/zinc/52/82/43/951528243.db2.gz OPXXOLCLLUKTSD-VIFPVBQESA-N -1 3 384.400 0.684 20 0 GCADHM C[C@](CNC(=O)c1csnn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575061196 951555337 /nfs/dbraw/zinc/55/53/37/951555337.db2.gz LJJQYZIKOUUNNV-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1csnn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575061196 951555342 /nfs/dbraw/zinc/55/53/42/951555342.db2.gz LJJQYZIKOUUNNV-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1n[nH]cc1F)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575062081 951564323 /nfs/dbraw/zinc/56/43/23/951564323.db2.gz SRNBRIUTDZNKKE-MRXNPFEDSA-N -1 3 387.379 0.386 20 0 GCADHM C[C@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575062403 951568460 /nfs/dbraw/zinc/56/84/60/951568460.db2.gz VVMXDJHTVCGYRU-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1nc(Cl)cs1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575062403 951568466 /nfs/dbraw/zinc/56/84/66/951568466.db2.gz VVMXDJHTVCGYRU-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ncc(F)cc1F)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575062846 951573591 /nfs/dbraw/zinc/57/35/91/951573591.db2.gz ZPUXQOGCNCLZMX-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H](CNC(=O)c1ncc(F)cc1F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575062846 951573597 /nfs/dbraw/zinc/57/35/97/951573597.db2.gz ZPUXQOGCNCLZMX-SSDOTTSWSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575065956 951589480 /nfs/dbraw/zinc/58/94/80/951589480.db2.gz CSCRXIJTRBLRPI-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1ncc2n1CCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575065956 951589490 /nfs/dbraw/zinc/58/94/90/951589490.db2.gz CSCRXIJTRBLRPI-SNVBAGLBSA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1nncc2ccccc21)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575067272 951607341 /nfs/dbraw/zinc/60/73/41/951607341.db2.gz QASNHCHRDKIROO-JTQLQIEISA-N -1 3 391.395 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1nncc2ccccc21)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575067272 951607350 /nfs/dbraw/zinc/60/73/50/951607350.db2.gz QASNHCHRDKIROO-JTQLQIEISA-N -1 3 391.395 0.686 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575067730 951621880 /nfs/dbraw/zinc/62/18/80/951621880.db2.gz XFFTUDDYTQKVPA-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575067730 951621886 /nfs/dbraw/zinc/62/18/86/951621886.db2.gz XFFTUDDYTQKVPA-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575068025 951630408 /nfs/dbraw/zinc/63/04/08/951630408.db2.gz VPICOSFAHXJARD-VIFPVBQESA-N -1 3 388.411 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575068025 951630417 /nfs/dbraw/zinc/63/04/17/951630417.db2.gz VPICOSFAHXJARD-VIFPVBQESA-N -1 3 388.411 0.978 20 0 GCADHM O=C([O-])CN1CCC[C@@H](C(=O)NCC2CCN(Cc3ccncc3)CC2)C1=O ZINC001595085434 951722749 /nfs/dbraw/zinc/72/27/49/951722749.db2.gz VCVABJOMJBQVMM-KRWDZBQOSA-N -1 3 388.468 0.733 20 0 GCADHM O=C([O-])CN1CCC[C@@H](C(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)C1=O ZINC001595086491 951734238 /nfs/dbraw/zinc/73/42/38/951734238.db2.gz DEQNYEHHXFPEGP-NSHDSACASA-N -1 3 393.831 0.973 20 0 GCADHM C[C@@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575116201 951969345 /nfs/dbraw/zinc/96/93/45/951969345.db2.gz AUVATUHGCHRSGU-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CNCc1nsc(N(C)C)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575116201 951969348 /nfs/dbraw/zinc/96/93/48/951969348.db2.gz AUVATUHGCHRSGU-VIFPVBQESA-N -1 3 390.477 0.363 20 0 GCADHM C[C@@H](CNCc1nn(C)cc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575117114 951977777 /nfs/dbraw/zinc/97/77/77/951977777.db2.gz LJBDHIKPTWSKTJ-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CNCc1nnsc1Cl)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575117392 951977816 /nfs/dbraw/zinc/97/78/16/951977816.db2.gz NDFUDHQLRMKLIX-SSDOTTSWSA-N -1 3 381.853 0.855 20 0 GCADHM C[C@H](CNCc1nnsc1Cl)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575117392 951977822 /nfs/dbraw/zinc/97/78/22/951977822.db2.gz NDFUDHQLRMKLIX-SSDOTTSWSA-N -1 3 381.853 0.855 20 0 GCADHM C[C@@H](CNCc1ncnn1CCF)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575117099 951978624 /nfs/dbraw/zinc/97/86/24/951978624.db2.gz LEBBNQONDCAWLC-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM C[C@H](CNCc1nc(C(F)F)no1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575118148 951982260 /nfs/dbraw/zinc/98/22/60/951982260.db2.gz QKJMJAHJNLCZJK-SSDOTTSWSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@H](CNCc1nc(C(F)F)no1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575118148 951982273 /nfs/dbraw/zinc/98/22/73/951982273.db2.gz QKJMJAHJNLCZJK-SSDOTTSWSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@H](CNCc1nc(C(F)F)no1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575117772 951982571 /nfs/dbraw/zinc/98/25/71/951982571.db2.gz PPJSCLYJQKZPES-SSDOTTSWSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@H](CNCc1nc(C(F)F)no1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575117772 951982575 /nfs/dbraw/zinc/98/25/75/951982575.db2.gz PPJSCLYJQKZPES-SSDOTTSWSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@@H](CNCc1nc(C(F)F)no1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575118150 951984333 /nfs/dbraw/zinc/98/43/33/951984333.db2.gz QKJMJAHJNLCZJK-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@@H](CNCc1nc(C(F)F)no1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575118150 951984340 /nfs/dbraw/zinc/98/43/40/951984340.db2.gz QKJMJAHJNLCZJK-ZETCQYMHSA-N -1 3 381.347 0.766 20 0 GCADHM C[C@H](CNCc1nnsc1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575118770 951984968 /nfs/dbraw/zinc/98/49/68/951984968.db2.gz SVCHKQULYNSKQE-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CNCc1nnsc1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575118770 951984973 /nfs/dbraw/zinc/98/49/73/951984973.db2.gz SVCHKQULYNSKQE-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CNCc1nc(C2CC2)nn1C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575118801 951985036 /nfs/dbraw/zinc/98/50/36/951985036.db2.gz TUPCGVKPKCYNMS-SNVBAGLBSA-N -1 3 384.448 0.451 20 0 GCADHM C[C@H](CNCc1ncnn1C(C)(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575118907 951987694 /nfs/dbraw/zinc/98/76/94/951987694.db2.gz VOFDZJLUMNEAJY-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNCc1ncnn1C(C)(C)C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575119654 951990490 /nfs/dbraw/zinc/99/04/90/951990490.db2.gz ZWJOIQSBEQNQGX-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575121781 951998801 /nfs/dbraw/zinc/99/88/01/951998801.db2.gz HNECDZPZSVJLNI-AAEUAGOBSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001575121781 951998806 /nfs/dbraw/zinc/99/88/06/951998806.db2.gz HNECDZPZSVJLNI-AAEUAGOBSA-N -1 3 387.448 0.311 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575121854 952000985 /nfs/dbraw/zinc/00/09/85/952000985.db2.gz IMBUPBDPKRVBNF-AOLWHUPESA-N -1 3 387.444 0.572 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575121854 952000993 /nfs/dbraw/zinc/00/09/93/952000993.db2.gz IMBUPBDPKRVBNF-AOLWHUPESA-N -1 3 387.444 0.572 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1ccnn1C ZINC001575122573 952004485 /nfs/dbraw/zinc/00/44/85/952004485.db2.gz LQOCVXWPSCPCAQ-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1ccnn1C ZINC001575122573 952004493 /nfs/dbraw/zinc/00/44/93/952004493.db2.gz LQOCVXWPSCPCAQ-GFCCVEGCSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575123072 952010295 /nfs/dbraw/zinc/01/02/95/952010295.db2.gz OGKBTSAVKLUIED-SNVBAGLBSA-N -1 3 381.462 0.344 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575123072 952010308 /nfs/dbraw/zinc/01/03/08/952010308.db2.gz OGKBTSAVKLUIED-SNVBAGLBSA-N -1 3 381.462 0.344 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CCn1cnccc1=O ZINC001575123628 952017318 /nfs/dbraw/zinc/01/73/18/952017318.db2.gz PUEGHQTWPOQTPV-LBPRGKRZSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CCn1cnccc1=O ZINC001575123628 952017329 /nfs/dbraw/zinc/01/73/29/952017329.db2.gz PUEGHQTWPOQTPV-LBPRGKRZSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575123789 952021829 /nfs/dbraw/zinc/02/18/29/952021829.db2.gz RELOBUJRKNRVGY-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001575123789 952021838 /nfs/dbraw/zinc/02/18/38/952021838.db2.gz RELOBUJRKNRVGY-ZMZPIMSZSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575124428 952029620 /nfs/dbraw/zinc/02/96/20/952029620.db2.gz JDRYMFUQHHQZHM-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001575124428 952029631 /nfs/dbraw/zinc/02/96/31/952029631.db2.gz JDRYMFUQHHQZHM-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575124830 952036117 /nfs/dbraw/zinc/03/61/17/952036117.db2.gz LLWMJYHDSNWJMM-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575124830 952036130 /nfs/dbraw/zinc/03/61/30/952036130.db2.gz LLWMJYHDSNWJMM-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575125583 952044289 /nfs/dbraw/zinc/04/42/89/952044289.db2.gz ORILCMVKXBZKDD-SNVBAGLBSA-N -1 3 381.462 0.344 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001575125583 952044294 /nfs/dbraw/zinc/04/42/94/952044294.db2.gz ORILCMVKXBZKDD-SNVBAGLBSA-N -1 3 381.462 0.344 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575125997 952049574 /nfs/dbraw/zinc/04/95/74/952049574.db2.gz QKYIQFPPCGNFMF-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575125997 952049579 /nfs/dbraw/zinc/04/95/79/952049579.db2.gz QKYIQFPPCGNFMF-ZDUSSCGKSA-N -1 3 388.476 0.631 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575126885 952053344 /nfs/dbraw/zinc/05/33/44/952053344.db2.gz UHIXFHQHQXUGLB-GXFFZTMASA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001575126885 952053351 /nfs/dbraw/zinc/05/33/51/952053351.db2.gz UHIXFHQHQXUGLB-GXFFZTMASA-N -1 3 379.446 0.098 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575127305 952054948 /nfs/dbraw/zinc/05/49/48/952054948.db2.gz WWXXPTDWHDBMQG-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575127305 952054952 /nfs/dbraw/zinc/05/49/52/952054952.db2.gz WWXXPTDWHDBMQG-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575127304 952055261 /nfs/dbraw/zinc/05/52/61/952055261.db2.gz WWXXPTDWHDBMQG-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575127304 952055265 /nfs/dbraw/zinc/05/52/65/952055265.db2.gz WWXXPTDWHDBMQG-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575127311 952057401 /nfs/dbraw/zinc/05/74/01/952057401.db2.gz XAVIYRUBJVHESA-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001575127311 952057407 /nfs/dbraw/zinc/05/74/07/952057407.db2.gz XAVIYRUBJVHESA-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CCn1ccccc1=O ZINC001575128404 952067291 /nfs/dbraw/zinc/06/72/91/952067291.db2.gz HYJXRYWSZFCNFE-CYBMUJFWSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CCn1ccccc1=O ZINC001575128404 952067301 /nfs/dbraw/zinc/06/73/01/952067301.db2.gz HYJXRYWSZFCNFE-CYBMUJFWSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575128654 952070265 /nfs/dbraw/zinc/07/02/65/952070265.db2.gz LEHKCMFBTKUPRA-LMRQPLJMSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575128654 952070277 /nfs/dbraw/zinc/07/02/77/952070277.db2.gz LEHKCMFBTKUPRA-LMRQPLJMSA-N -1 3 387.444 0.572 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CN1CCCCCC1=O ZINC001575129229 952076205 /nfs/dbraw/zinc/07/62/05/952076205.db2.gz RJWUZWHRMUIEKF-ZDUSSCGKSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CN1CCCCCC1=O ZINC001575129229 952076214 /nfs/dbraw/zinc/07/62/14/952076214.db2.gz RJWUZWHRMUIEKF-ZDUSSCGKSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CN1CCCCCC1=O ZINC001575129228 952077778 /nfs/dbraw/zinc/07/77/78/952077778.db2.gz RJWUZWHRMUIEKF-CYBMUJFWSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CN1CCCCCC1=O ZINC001575129228 952077788 /nfs/dbraw/zinc/07/77/88/952077788.db2.gz RJWUZWHRMUIEKF-CYBMUJFWSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575129527 952081318 /nfs/dbraw/zinc/08/13/18/952081318.db2.gz UTLRIGLPSUJKLD-LBPRGKRZSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001575129527 952081327 /nfs/dbraw/zinc/08/13/27/952081327.db2.gz UTLRIGLPSUJKLD-LBPRGKRZSA-N -1 3 387.448 0.326 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575129611 952084429 /nfs/dbraw/zinc/08/44/29/952084429.db2.gz XKDZZDAGMDQGNB-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575129611 952084443 /nfs/dbraw/zinc/08/44/43/952084443.db2.gz XKDZZDAGMDQGNB-VIFPVBQESA-N -1 3 386.441 0.995 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575137087 952134208 /nfs/dbraw/zinc/13/42/08/952134208.db2.gz UBQIBWRLDCSQAN-BTDLBPIBSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575137087 952134211 /nfs/dbraw/zinc/13/42/11/952134211.db2.gz UBQIBWRLDCSQAN-BTDLBPIBSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575137295 952135348 /nfs/dbraw/zinc/13/53/48/952135348.db2.gz WESLMNDETKJSDY-MRXNPFEDSA-N -1 3 386.395 0.389 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)Cn1cnnn1)C1CC1 ZINC001575137295 952135350 /nfs/dbraw/zinc/13/53/50/952135350.db2.gz WESLMNDETKJSDY-MRXNPFEDSA-N -1 3 386.395 0.389 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575137309 952135948 /nfs/dbraw/zinc/13/59/48/952135948.db2.gz WKDGLBMBCFNJGM-QWRGUYRKSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575137309 952135953 /nfs/dbraw/zinc/13/59/53/952135953.db2.gz WKDGLBMBCFNJGM-QWRGUYRKSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575137405 952138915 /nfs/dbraw/zinc/13/89/15/952138915.db2.gz XZRVRPXCXMRNPW-ACJLOTCBSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575137405 952138920 /nfs/dbraw/zinc/13/89/20/952138920.db2.gz XZRVRPXCXMRNPW-ACJLOTCBSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575153393 952208097 /nfs/dbraw/zinc/20/80/97/952208097.db2.gz GVXWGQYHNBEAJK-NWDGAFQWSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCn2ccnc2C1 ZINC001575153392 952208187 /nfs/dbraw/zinc/20/81/87/952208187.db2.gz GVXWGQYHNBEAJK-NEPJUHHUSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575163325 952277035 /nfs/dbraw/zinc/27/70/35/952277035.db2.gz AKRNHRFTGAOAIR-CMPLNLGQSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575163325 952277042 /nfs/dbraw/zinc/27/70/42/952277042.db2.gz AKRNHRFTGAOAIR-CMPLNLGQSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575163809 952283376 /nfs/dbraw/zinc/28/33/76/952283376.db2.gz GNNVASPWJGOTDO-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575163809 952283380 /nfs/dbraw/zinc/28/33/80/952283380.db2.gz GNNVASPWJGOTDO-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CNc1nc(-c2nnn[n-]2)c(Cl)s1)N(C)C(=O)Cc1nnc[nH]1 ZINC001575164321 952292235 /nfs/dbraw/zinc/29/22/35/952292235.db2.gz CZYGODNBJQPCFJ-ZCFIWIBFSA-N -1 3 382.841 0.596 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1COCCO1 ZINC001575165027 952302144 /nfs/dbraw/zinc/30/21/44/952302144.db2.gz JOPCOCRKQIERDG-SKDRFNHKSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1COCCO1 ZINC001575165027 952302149 /nfs/dbraw/zinc/30/21/49/952302149.db2.gz JOPCOCRKQIERDG-SKDRFNHKSA-N -1 3 381.824 0.589 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575165141 952303558 /nfs/dbraw/zinc/30/35/58/952303558.db2.gz LVNWYIAZXJPXID-ZJUUUORDSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575165141 952303567 /nfs/dbraw/zinc/30/35/67/952303567.db2.gz LVNWYIAZXJPXID-ZJUUUORDSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575165088 952305121 /nfs/dbraw/zinc/30/51/21/952305121.db2.gz RCTMNSXYRLTHRR-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575165088 952305129 /nfs/dbraw/zinc/30/51/29/952305129.db2.gz RCTMNSXYRLTHRR-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001575165584 952309797 /nfs/dbraw/zinc/30/97/97/952309797.db2.gz PXLWOVXXVJJHPR-MRVPVSSYSA-N -1 3 391.823 0.927 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575165435 952310570 /nfs/dbraw/zinc/31/05/70/952310570.db2.gz SXHANPNEYZDNQG-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575165435 952310578 /nfs/dbraw/zinc/31/05/78/952310578.db2.gz SXHANPNEYZDNQG-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@H](CNc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1)S(N)(=O)=O ZINC001575165720 952314136 /nfs/dbraw/zinc/31/41/36/952314136.db2.gz VNINQQMZKDUPMN-SECBINFHSA-N -1 3 376.402 0.538 20 0 GCADHM C[C@H](CNc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1)S(N)(=O)=O ZINC001575165720 952314144 /nfs/dbraw/zinc/31/41/44/952314144.db2.gz VNINQQMZKDUPMN-SECBINFHSA-N -1 3 376.402 0.538 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575165687 952314595 /nfs/dbraw/zinc/31/45/95/952314595.db2.gz VCBFQOPHZGHYSV-VHSXEESVSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575165687 952314603 /nfs/dbraw/zinc/31/46/03/952314603.db2.gz VCBFQOPHZGHYSV-VHSXEESVSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575165987 952318232 /nfs/dbraw/zinc/31/82/32/952318232.db2.gz XXAMZVKQHKTHBR-ACJLOTCBSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575165987 952318240 /nfs/dbraw/zinc/31/82/40/952318240.db2.gz XXAMZVKQHKTHBR-ACJLOTCBSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575166126 952320932 /nfs/dbraw/zinc/32/09/32/952320932.db2.gz YPVHHUWKYYWXJU-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001575166126 952320942 /nfs/dbraw/zinc/32/09/42/952320942.db2.gz YPVHHUWKYYWXJU-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575166407 952325817 /nfs/dbraw/zinc/32/58/17/952325817.db2.gz VWBZVPHLDZNGAB-MRVPVSSYSA-N -1 3 389.807 0.571 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575166407 952325824 /nfs/dbraw/zinc/32/58/24/952325824.db2.gz VWBZVPHLDZNGAB-MRVPVSSYSA-N -1 3 389.807 0.571 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CN1CCCCCC1=O ZINC001575168473 952343370 /nfs/dbraw/zinc/34/33/70/952343370.db2.gz MTXVDVCJXQLDLA-CYBMUJFWSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575168473 952343377 /nfs/dbraw/zinc/34/33/77/952343377.db2.gz MTXVDVCJXQLDLA-CYBMUJFWSA-N -1 3 386.460 0.923 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)COCc1nccn1C ZINC001575168842 952345004 /nfs/dbraw/zinc/34/50/04/952345004.db2.gz NYRGEACIFGETDU-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)COCc1nccn1C ZINC001575168842 952345007 /nfs/dbraw/zinc/34/50/07/952345007.db2.gz NYRGEACIFGETDU-LBPRGKRZSA-N -1 3 385.432 0.471 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575169772 952350246 /nfs/dbraw/zinc/35/02/46/952350246.db2.gz SVNQOVFMRLKXSV-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575169772 952350253 /nfs/dbraw/zinc/35/02/53/952350253.db2.gz SVNQOVFMRLKXSV-JTQLQIEISA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575169773 952350463 /nfs/dbraw/zinc/35/04/63/952350463.db2.gz SVNQOVFMRLKXSV-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001575169773 952350470 /nfs/dbraw/zinc/35/04/70/952350470.db2.gz SVNQOVFMRLKXSV-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575170020 952352052 /nfs/dbraw/zinc/35/20/52/952352052.db2.gz VMBOMZVWUVTVDA-LLVKDONJSA-N -1 3 381.462 0.345 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575170020 952352060 /nfs/dbraw/zinc/35/20/60/952352060.db2.gz VMBOMZVWUVTVDA-LLVKDONJSA-N -1 3 381.462 0.345 20 0 GCADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575170005 952352359 /nfs/dbraw/zinc/35/23/59/952352359.db2.gz VHHZIAQGNMWPBO-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC001575170005 952352366 /nfs/dbraw/zinc/35/23/66/952352366.db2.gz VHHZIAQGNMWPBO-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575170360 952354543 /nfs/dbraw/zinc/35/45/43/952354543.db2.gz YCIXNGXAKWQUJP-AAEUAGOBSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575170360 952354544 /nfs/dbraw/zinc/35/45/44/952354544.db2.gz YCIXNGXAKWQUJP-AAEUAGOBSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001575184750 952422577 /nfs/dbraw/zinc/42/25/77/952422577.db2.gz BLVLPQNGLLFIMH-PJLCYMMNSA-N -1 3 377.879 0.908 20 0 GCADHM C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001575184750 952422583 /nfs/dbraw/zinc/42/25/83/952422583.db2.gz BLVLPQNGLLFIMH-PJLCYMMNSA-N -1 3 377.879 0.908 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575184737 952422768 /nfs/dbraw/zinc/42/27/68/952422768.db2.gz BKRXTHDMEJDNIF-GMTAPVOTSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575184737 952422771 /nfs/dbraw/zinc/42/27/71/952422771.db2.gz BKRXTHDMEJDNIF-GMTAPVOTSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001575185076 952427986 /nfs/dbraw/zinc/42/79/86/952427986.db2.gz KMZLSPLVWYFHDN-LBPRGKRZSA-N -1 3 392.423 0.822 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC2(C1)CC(=O)Nc1nccn12 ZINC001575185076 952427990 /nfs/dbraw/zinc/42/79/90/952427990.db2.gz KMZLSPLVWYFHDN-LBPRGKRZSA-N -1 3 392.423 0.822 20 0 GCADHM C[C@@H](CS(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)C1CC1 ZINC001575185128 952428915 /nfs/dbraw/zinc/42/89/15/952428915.db2.gz LMIZYTWPVGRAGO-LBPRGKRZSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@@H](CS(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)C1CC1 ZINC001575185128 952428921 /nfs/dbraw/zinc/42/89/21/952428921.db2.gz LMIZYTWPVGRAGO-LBPRGKRZSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575185289 952431399 /nfs/dbraw/zinc/43/13/99/952431399.db2.gz OWJQDOMFBYLSOY-SWLSCSKDSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575185289 952431403 /nfs/dbraw/zinc/43/14/03/952431403.db2.gz OWJQDOMFBYLSOY-SWLSCSKDSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575185287 952431602 /nfs/dbraw/zinc/43/16/02/952431602.db2.gz OWJQDOMFBYLSOY-DOMZBBRYSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575185287 952431606 /nfs/dbraw/zinc/43/16/06/952431606.db2.gz OWJQDOMFBYLSOY-DOMZBBRYSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575185570 952434137 /nfs/dbraw/zinc/43/41/37/952434137.db2.gz STGSJWITXMPACY-YUSALJHKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575185570 952434141 /nfs/dbraw/zinc/43/41/41/952434141.db2.gz STGSJWITXMPACY-YUSALJHKSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575185961 952436242 /nfs/dbraw/zinc/43/62/42/952436242.db2.gz XARPLDRCOCTXRD-DOMZBBRYSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575185961 952436247 /nfs/dbraw/zinc/43/62/47/952436247.db2.gz XARPLDRCOCTXRD-DOMZBBRYSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575187475 952440778 /nfs/dbraw/zinc/44/07/78/952440778.db2.gz CBUYPJWXBCONPH-NSHDSACASA-N -1 3 383.412 0.855 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575187475 952440780 /nfs/dbraw/zinc/44/07/80/952440780.db2.gz CBUYPJWXBCONPH-NSHDSACASA-N -1 3 383.412 0.855 20 0 GCADHM C[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1NC(=O)c1cnns1 ZINC001571114070 952447966 /nfs/dbraw/zinc/44/79/66/952447966.db2.gz ADBQNRHPXGOBNH-GMSGAONNSA-N -1 3 375.393 0.507 20 0 GCADHM C[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1NC(=O)c1cnns1 ZINC001571114070 952447969 /nfs/dbraw/zinc/44/79/69/952447969.db2.gz ADBQNRHPXGOBNH-GMSGAONNSA-N -1 3 375.393 0.507 20 0 GCADHM CC(C)(C)OC(=O)[C@]1(NC(=O)Nc2ccc(-c3nnn[n-]3)cn2)CCOC1 ZINC001571114238 952451285 /nfs/dbraw/zinc/45/12/85/952451285.db2.gz FFACXNBCTLSLAE-INIZCTEOSA-N -1 3 375.389 0.884 20 0 GCADHM CC(C)(C)OC(=O)[C@]1(NC(=O)Nc2ccc(-c3nn[n-]n3)cn2)CCOC1 ZINC001571114238 952451286 /nfs/dbraw/zinc/45/12/86/952451286.db2.gz FFACXNBCTLSLAE-INIZCTEOSA-N -1 3 375.389 0.884 20 0 GCADHM COc1ncc(NC(=O)CNC(=O)OCC(F)(F)F)cc1-c1nnn[n-]1 ZINC001571114354 952453110 /nfs/dbraw/zinc/45/31/10/952453110.db2.gz HOHBIEMHWGFWTA-UHFFFAOYSA-N -1 3 375.267 0.497 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC001575189296 952454802 /nfs/dbraw/zinc/45/48/02/952454802.db2.gz NVYQDHJCHPORCJ-NSHDSACASA-N -1 3 380.474 0.476 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC001575189296 952454809 /nfs/dbraw/zinc/45/48/09/952454809.db2.gz NVYQDHJCHPORCJ-NSHDSACASA-N -1 3 380.474 0.476 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1cnn(C(F)F)c1 ZINC001571114526 952455646 /nfs/dbraw/zinc/45/56/46/952455646.db2.gz JYAZSDVQGWHTKD-LLVKDONJSA-N -1 3 375.343 0.862 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1cnn(C(F)F)c1 ZINC001571114526 952455649 /nfs/dbraw/zinc/45/56/49/952455649.db2.gz JYAZSDVQGWHTKD-LLVKDONJSA-N -1 3 375.343 0.862 20 0 GCADHM CS(=O)(=O)c1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001571115485 952466362 /nfs/dbraw/zinc/46/63/62/952466362.db2.gz WUKNMKLYEQEBEQ-UHFFFAOYSA-N -1 3 375.370 0.078 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)cn1)N1CCn2ncc(Br)c2C1 ZINC001571115333 952466961 /nfs/dbraw/zinc/46/69/61/952466961.db2.gz VAOCZRZXRZJGPT-UHFFFAOYSA-N -1 3 375.190 0.877 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)cn1)N1CCn2ncc(Br)c2C1 ZINC001571115333 952466964 /nfs/dbraw/zinc/46/69/64/952466964.db2.gz VAOCZRZXRZJGPT-UHFFFAOYSA-N -1 3 375.190 0.877 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575195917 952473625 /nfs/dbraw/zinc/47/36/25/952473625.db2.gz DHKZZPHNEYECGA-LLVKDONJSA-N -1 3 383.412 0.855 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575195917 952473627 /nfs/dbraw/zinc/47/36/27/952473627.db2.gz DHKZZPHNEYECGA-LLVKDONJSA-N -1 3 383.412 0.855 20 0 GCADHM O=C(NC[C@H]1COCCN1CC[C@H]1CCOC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571116605 952475417 /nfs/dbraw/zinc/47/54/17/952475417.db2.gz AHWSKHICAXKDEF-JSGCOSHPSA-N -1 3 375.433 0.052 20 0 GCADHM O=C(NC[C@H]1COCCN1CC[C@H]1CCOC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571116605 952475422 /nfs/dbraw/zinc/47/54/22/952475422.db2.gz AHWSKHICAXKDEF-JSGCOSHPSA-N -1 3 375.433 0.052 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](NC(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)C1 ZINC001571116612 952475818 /nfs/dbraw/zinc/47/58/18/952475818.db2.gz AKAVHEUNGXRMSZ-SECBINFHSA-N -1 3 375.414 0.112 20 0 GCADHM CO[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001571116630 952477051 /nfs/dbraw/zinc/47/70/51/952477051.db2.gz ARBGXLBVMBDNNB-TZMCWYRMSA-N -1 3 375.433 0.539 20 0 GCADHM CO[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001571116630 952477053 /nfs/dbraw/zinc/47/70/53/952477053.db2.gz ARBGXLBVMBDNNB-TZMCWYRMSA-N -1 3 375.433 0.539 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C1CC1 ZINC001571116636 952477237 /nfs/dbraw/zinc/47/72/37/952477237.db2.gz ATZDESMIGNSWHO-OLZOCXBDSA-N -1 3 375.408 0.503 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C1CC1 ZINC001571116636 952477239 /nfs/dbraw/zinc/47/72/39/952477239.db2.gz ATZDESMIGNSWHO-OLZOCXBDSA-N -1 3 375.408 0.503 20 0 GCADHM CO[C@H](C)C(=O)N1CCCO[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571117104 952479520 /nfs/dbraw/zinc/47/95/20/952479520.db2.gz GVIQZOHRQDYIIP-OLZOCXBDSA-N -1 3 375.433 0.634 20 0 GCADHM CO[C@H](C)C(=O)N1CCCO[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571117104 952479523 /nfs/dbraw/zinc/47/95/23/952479523.db2.gz GVIQZOHRQDYIIP-OLZOCXBDSA-N -1 3 375.433 0.634 20 0 GCADHM CS[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571117040 952479846 /nfs/dbraw/zinc/47/98/46/952479846.db2.gz GGJALLVFUOHQMC-SNVBAGLBSA-N -1 3 375.458 0.621 20 0 GCADHM CS[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571117040 952479847 /nfs/dbraw/zinc/47/98/47/952479847.db2.gz GGJALLVFUOHQMC-SNVBAGLBSA-N -1 3 375.458 0.621 20 0 GCADHM O=C(NC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)[C@@H]1CCCO1 ZINC001571117391 952481811 /nfs/dbraw/zinc/48/18/11/952481811.db2.gz LBBFBRARMKTJGN-FZMZJTMJSA-N -1 3 375.408 0.912 20 0 GCADHM O=C(NC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)[C@@H]1CCCO1 ZINC001571117391 952481814 /nfs/dbraw/zinc/48/18/14/952481814.db2.gz LBBFBRARMKTJGN-FZMZJTMJSA-N -1 3 375.408 0.912 20 0 GCADHM Cc1nsc(N2C[C@H]3CN(C(=O)[C@@H]4CCCO4)C[C@H]3C2)c1-c1nnn[n-]1 ZINC001571117511 952482093 /nfs/dbraw/zinc/48/20/93/952482093.db2.gz LSLAGNISIWKJII-TUAOUCFPSA-N -1 3 375.458 0.705 20 0 GCADHM CS[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571117398 952482153 /nfs/dbraw/zinc/48/21/53/952482153.db2.gz LHOXEAJDBBROAK-GBIKHYSHSA-N -1 3 375.458 0.619 20 0 GCADHM CS[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571117398 952482156 /nfs/dbraw/zinc/48/21/56/952482156.db2.gz LHOXEAJDBBROAK-GBIKHYSHSA-N -1 3 375.458 0.619 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](F)C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571117508 952482320 /nfs/dbraw/zinc/48/23/20/952482320.db2.gz LRVFBMNIVYSUKS-YRRQLQLVSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H](F)C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571117508 952482327 /nfs/dbraw/zinc/48/23/27/952482327.db2.gz LRVFBMNIVYSUKS-YRRQLQLVSA-N -1 3 375.408 0.958 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001571117570 952483454 /nfs/dbraw/zinc/48/34/54/952483454.db2.gz NGKBMEUHZRGVLO-PXAZEXFGSA-N -1 3 375.408 0.912 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001571117570 952483457 /nfs/dbraw/zinc/48/34/57/952483457.db2.gz NGKBMEUHZRGVLO-PXAZEXFGSA-N -1 3 375.408 0.912 20 0 GCADHM CC[C@@H](C)C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571117660 952483489 /nfs/dbraw/zinc/48/34/89/952483489.db2.gz OGESLWBYPYHHSC-YPMHNXCESA-N -1 3 375.433 0.588 20 0 GCADHM CC[C@@H](C)C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571117660 952483490 /nfs/dbraw/zinc/48/34/90/952483490.db2.gz OGESLWBYPYHHSC-YPMHNXCESA-N -1 3 375.433 0.588 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H](F)C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571117766 952484425 /nfs/dbraw/zinc/48/44/25/952484425.db2.gz QLVGGUZADQCRJM-WFFHOREQSA-N -1 3 375.408 0.958 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H](F)C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571117766 952484429 /nfs/dbraw/zinc/48/44/29/952484429.db2.gz QLVGGUZADQCRJM-WFFHOREQSA-N -1 3 375.408 0.958 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575197591 952485842 /nfs/dbraw/zinc/48/58/42/952485842.db2.gz XIORBDWMXBVCIG-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575197591 952485843 /nfs/dbraw/zinc/48/58/43/952485843.db2.gz XIORBDWMXBVCIG-AAEUAGOBSA-N -1 3 383.412 0.997 20 0 GCADHM CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001571118055 952486118 /nfs/dbraw/zinc/48/61/18/952486118.db2.gz TVNNKSHNBSDTDS-RISCZKNCSA-N -1 3 375.408 0.031 20 0 GCADHM CN1CCO[C@H](C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001571118055 952486123 /nfs/dbraw/zinc/48/61/23/952486123.db2.gz TVNNKSHNBSDTDS-RISCZKNCSA-N -1 3 375.408 0.031 20 0 GCADHM CC[C@@H](OC)C(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001571118085 952486578 /nfs/dbraw/zinc/48/65/78/952486578.db2.gz UNPFIHLAMHEUSE-ZLKJLUDKSA-N -1 3 375.408 0.863 20 0 GCADHM CC[C@@H](OC)C(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001571118085 952486580 /nfs/dbraw/zinc/48/65/80/952486580.db2.gz UNPFIHLAMHEUSE-ZLKJLUDKSA-N -1 3 375.408 0.863 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571118336 952486747 /nfs/dbraw/zinc/48/67/47/952486747.db2.gz VMDLLIRNCACJAC-MNOVXSKESA-N -1 3 375.458 0.145 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001575199239 952488978 /nfs/dbraw/zinc/48/89/78/952488978.db2.gz ASFGTUXOUOPQEH-SRVKXCTJSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001575199239 952488979 /nfs/dbraw/zinc/48/89/79/952488979.db2.gz ASFGTUXOUOPQEH-SRVKXCTJSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575199643 952489642 /nfs/dbraw/zinc/48/96/42/952489642.db2.gz DSXGNZVOGOMFJH-DGCLKSJQSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575199643 952489646 /nfs/dbraw/zinc/48/96/46/952489646.db2.gz DSXGNZVOGOMFJH-DGCLKSJQSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575199610 952489954 /nfs/dbraw/zinc/48/99/54/952489954.db2.gz DJCGMIIUYUEZCI-MFKMUULPSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575199610 952489960 /nfs/dbraw/zinc/48/99/60/952489960.db2.gz DJCGMIIUYUEZCI-MFKMUULPSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)[C@@H]1C ZINC001575199787 952491359 /nfs/dbraw/zinc/49/13/59/952491359.db2.gz FRTIQTPWVMMIHA-WZRBSPASSA-N -1 3 382.432 0.342 20 0 GCADHM 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ZINC001575200354 952495143 /nfs/dbraw/zinc/49/51/43/952495143.db2.gz IUSHHKXQCKOBJU-ZDUSSCGKSA-N -1 3 395.471 0.959 20 0 GCADHM O=C(CC1OCCCO1)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571119875 952495633 /nfs/dbraw/zinc/49/56/33/952495633.db2.gz GBDRQWCAMLLGPA-LLVKDONJSA-N -1 3 376.392 0.854 20 0 GCADHM O=C(CC1OCCCO1)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571119875 952495637 /nfs/dbraw/zinc/49/56/37/952495637.db2.gz GBDRQWCAMLLGPA-LLVKDONJSA-N -1 3 376.392 0.854 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575200871 952499497 /nfs/dbraw/zinc/49/94/97/952499497.db2.gz LZOHGNULUREJRL-WFASDCNBSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575200871 952499508 /nfs/dbraw/zinc/49/95/08/952499508.db2.gz LZOHGNULUREJRL-WFASDCNBSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nn2)[C@@H]1C ZINC001575201113 952500274 /nfs/dbraw/zinc/50/02/74/952500274.db2.gz 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382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nn1)C1CC1 ZINC001575202529 952513835 /nfs/dbraw/zinc/51/38/35/952513835.db2.gz OXZUDDWONXEOQM-IINYFYTJSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575203108 952518017 /nfs/dbraw/zinc/51/80/17/952518017.db2.gz ZUAJNMNODMESQE-AAEUAGOBSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575203503 952524155 /nfs/dbraw/zinc/52/41/55/952524155.db2.gz YUPOAGOVFCDEHA-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575203503 952524157 /nfs/dbraw/zinc/52/41/57/952524157.db2.gz YUPOAGOVFCDEHA-NWDGAFQWSA-N -1 3 382.432 0.519 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@@H](Nc3snc(C)c3-c3nnn[n-]3)C2)C1 ZINC001571122822 952526568 /nfs/dbraw/zinc/52/65/68/952526568.db2.gz MBFXZXKJJCEYQU-PHIMTYICSA-N -1 3 376.446 0.169 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575206483 952529982 /nfs/dbraw/zinc/52/99/82/952529982.db2.gz JRGOKMJODFNOJY-WDEREUQCSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575206483 952529985 /nfs/dbraw/zinc/52/99/85/952529985.db2.gz JRGOKMJODFNOJY-WDEREUQCSA-N -1 3 385.432 0.042 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571123409 952530783 /nfs/dbraw/zinc/53/07/83/952530783.db2.gz RMGDRPBDYVZTKJ-JTQLQIEISA-N -1 3 376.442 0.753 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001575206650 952530922 /nfs/dbraw/zinc/53/09/22/952530922.db2.gz KUSYCEUQYYQYPZ-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001575206650 952530927 /nfs/dbraw/zinc/53/09/27/952530927.db2.gz KUSYCEUQYYQYPZ-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC[C@@H](F)CN1CC(N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001571123416 952531042 /nfs/dbraw/zinc/53/10/42/952531042.db2.gz RRKAJEBVHLHZQD-CYBMUJFWSA-N -1 3 376.440 0.385 20 0 GCADHM CC[C@@H](F)CN1CC(N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001571123416 952531046 /nfs/dbraw/zinc/53/10/46/952531046.db2.gz RRKAJEBVHLHZQD-CYBMUJFWSA-N -1 3 376.440 0.385 20 0 GCADHM Cc1nsc(N[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571123475 952531094 /nfs/dbraw/zinc/53/10/94/952531094.db2.gz SJINVLBUGGHQLW-VHSXEESVSA-N -1 3 376.446 0.171 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575207835 952534435 /nfs/dbraw/zinc/53/44/35/952534435.db2.gz TUPDKGIXYYXUDF-DFBGVHRSSA-N -1 3 381.444 0.933 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575207835 952534437 /nfs/dbraw/zinc/53/44/37/952534437.db2.gz TUPDKGIXYYXUDF-DFBGVHRSSA-N -1 3 381.444 0.933 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575207885 952536211 /nfs/dbraw/zinc/53/62/11/952536211.db2.gz UYNZVURHGFYHKW-TUKIKUTGSA-N -1 3 381.444 0.933 20 0 GCADHM C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575207885 952536215 /nfs/dbraw/zinc/53/62/15/952536215.db2.gz UYNZVURHGFYHKW-TUKIKUTGSA-N -1 3 381.444 0.933 20 0 GCADHM O=C(NCc1nnc2n1CCOC2)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001571124272 952536332 /nfs/dbraw/zinc/53/63/32/952536332.db2.gz DHWWCQLVKCAMSP-UHFFFAOYSA-N -1 3 377.315 0.588 20 0 GCADHM O=C(NCc1nnc2n1CCOC2)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001571124272 952536338 /nfs/dbraw/zinc/53/63/38/952536338.db2.gz DHWWCQLVKCAMSP-UHFFFAOYSA-N -1 3 377.315 0.588 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)cc1 ZINC001571124237 952536562 /nfs/dbraw/zinc/53/65/62/952536562.db2.gz CCSXLGMLPHIODP-HZPDHXFCSA-N -1 3 377.408 0.884 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)cc1 ZINC001571124237 952536563 /nfs/dbraw/zinc/53/65/63/952536563.db2.gz CCSXLGMLPHIODP-HZPDHXFCSA-N -1 3 377.408 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ZINC001571125071 952548395 /nfs/dbraw/zinc/54/83/95/952548395.db2.gz ZVNZXYPDVNVKKG-NWDGAFQWSA-N -1 3 377.380 0.219 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1CN(Cc2cc(F)ccc2-c2nnn[n-]2)CCO1 ZINC001575211591 952548501 /nfs/dbraw/zinc/54/85/01/952548501.db2.gz VKNMMYVOAVQWPT-LBPRGKRZSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)NC[C@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)CCO1 ZINC001575211591 952548503 /nfs/dbraw/zinc/54/85/03/952548503.db2.gz VKNMMYVOAVQWPT-LBPRGKRZSA-N -1 3 384.362 0.978 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@H]21 ZINC001575211930 952550776 /nfs/dbraw/zinc/55/07/76/952550776.db2.gz CFTMZZZHFOPPQZ-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@H]21 ZINC001575211930 952550782 /nfs/dbraw/zinc/55/07/82/952550782.db2.gz CFTMZZZHFOPPQZ-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)NC1(CCO)CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001575211864 952551542 /nfs/dbraw/zinc/55/15/42/952551542.db2.gz BGKUINQVAKSQHS-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575212273 952552140 /nfs/dbraw/zinc/55/21/40/952552140.db2.gz FZPOSWADTNXFNU-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1C[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575212273 952552143 /nfs/dbraw/zinc/55/21/43/952552143.db2.gz FZPOSWADTNXFNU-JOYOIKCWSA-N -1 3 379.371 0.913 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nc1)C2)c1ncccn1 ZINC001571127299 952552740 /nfs/dbraw/zinc/55/27/40/952552740.db2.gz ITNJRUJYGNWCFY-SGTLLEGYSA-N -1 3 377.412 0.841 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)nc1)C2)c1ncccn1 ZINC001571127299 952552744 /nfs/dbraw/zinc/55/27/44/952552744.db2.gz ITNJRUJYGNWCFY-SGTLLEGYSA-N -1 3 377.412 0.841 20 0 GCADHM COC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC001571127451 952555139 /nfs/dbraw/zinc/55/51/39/952555139.db2.gz JMADTGWQMPXSET-LRDDRELGSA-N -1 3 377.426 0.831 20 0 GCADHM COC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC001571127451 952555143 /nfs/dbraw/zinc/55/51/43/952555143.db2.gz JMADTGWQMPXSET-LRDDRELGSA-N -1 3 377.426 0.831 20 0 GCADHM CC(F)(F)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001575213560 952558927 /nfs/dbraw/zinc/55/89/27/952558927.db2.gz ANHAILKUDZIDAF-FVMDXXJSSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001575213560 952558931 /nfs/dbraw/zinc/55/89/31/952558931.db2.gz ANHAILKUDZIDAF-FVMDXXJSSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575213594 952559414 /nfs/dbraw/zinc/55/94/14/952559414.db2.gz BOGAHCHMFQGOJX-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575213594 952559421 /nfs/dbraw/zinc/55/94/21/952559421.db2.gz BOGAHCHMFQGOJX-SECBINFHSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(=O)NC1(CCO)CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001575213899 952561625 /nfs/dbraw/zinc/56/16/25/952561625.db2.gz WKRCAYDRPYRKMV-UHFFFAOYSA-N -1 3 384.362 0.714 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575214331 952562457 /nfs/dbraw/zinc/56/24/57/952562457.db2.gz WWBXXLXRCBNIKZ-SECBINFHSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)N1CCCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575214331 952562461 /nfs/dbraw/zinc/56/24/61/952562461.db2.gz WWBXXLXRCBNIKZ-SECBINFHSA-N -1 3 383.359 0.197 20 0 GCADHM CC(F)(F)C(=O)N1CCCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575214370 952564293 /nfs/dbraw/zinc/56/42/93/952564293.db2.gz YANGLSJGDPIMEN-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)C(=O)N1CCCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575214370 952564298 /nfs/dbraw/zinc/56/42/98/952564298.db2.gz YANGLSJGDPIMEN-UHFFFAOYSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001575214533 952564852 /nfs/dbraw/zinc/56/48/52/952564852.db2.gz MBRCNAZNLITSDO-QFYYESIMSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001575214533 952564854 /nfs/dbraw/zinc/56/48/54/952564854.db2.gz MBRCNAZNLITSDO-QFYYESIMSA-N -1 3 379.371 0.961 20 0 GCADHM Cc1nsc(N(C)C[C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC001571128356 952565988 /nfs/dbraw/zinc/56/59/88/952565988.db2.gz RIQDQFULVMJZID-VXGBXAGGSA-N -1 3 377.474 0.953 20 0 GCADHM COc1cn(C)nc1[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001571128733 952570126 /nfs/dbraw/zinc/57/01/26/952570126.db2.gz VZBMOLMQJHYUQW-SNVBAGLBSA-N -1 3 377.430 0.957 20 0 GCADHM COc1cn(C)nc1[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001571128733 952570132 /nfs/dbraw/zinc/57/01/32/952570132.db2.gz VZBMOLMQJHYUQW-SNVBAGLBSA-N -1 3 377.430 0.957 20 0 GCADHM CC(F)(F)C1(C(=O)NCC2(O)CN(Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001575221649 952570486 /nfs/dbraw/zinc/57/04/86/952570486.db2.gz AMSNWIXKIWVNRT-UHFFFAOYSA-N -1 3 392.410 0.965 20 0 GCADHM CC(F)(F)C1(C(=O)NCC2(O)CN(Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001575221649 952570491 /nfs/dbraw/zinc/57/04/91/952570491.db2.gz AMSNWIXKIWVNRT-UHFFFAOYSA-N -1 3 392.410 0.965 20 0 GCADHM O=S(=O)(NCc1cn(C2CCC2)nn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571129268 952574141 /nfs/dbraw/zinc/57/41/41/952574141.db2.gz CAAIOCGSGIAGMQ-UHFFFAOYSA-N -1 3 378.393 0.801 20 0 GCADHM NC(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571129525 952575006 /nfs/dbraw/zinc/57/50/06/952575006.db2.gz FYKGJWZAKSKCCH-AWEZNQCLSA-N -1 3 378.396 0.369 20 0 GCADHM NC(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571129525 952575008 /nfs/dbraw/zinc/57/50/08/952575008.db2.gz FYKGJWZAKSKCCH-AWEZNQCLSA-N -1 3 378.396 0.369 20 0 GCADHM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001571129826 952576449 /nfs/dbraw/zinc/57/64/49/952576449.db2.gz JXBIRDSWKZASGD-ZWNOBZJWSA-N -1 3 378.364 0.185 20 0 GCADHM CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001571129826 952576453 /nfs/dbraw/zinc/57/64/53/952576453.db2.gz JXBIRDSWKZASGD-ZWNOBZJWSA-N -1 3 378.364 0.185 20 0 GCADHM CN1c2ccccc2C[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cn2)C1=O ZINC001571129952 952577589 /nfs/dbraw/zinc/57/75/89/952577589.db2.gz LSHHBIUZYZJBBL-AWEZNQCLSA-N -1 3 378.396 0.649 20 0 GCADHM CN1c2ccccc2C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cn2)C1=O ZINC001571129952 952577591 /nfs/dbraw/zinc/57/75/91/952577591.db2.gz LSHHBIUZYZJBBL-AWEZNQCLSA-N -1 3 378.396 0.649 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCOC2)c1ccnc(OC(F)F)c1 ZINC001571130569 952580799 /nfs/dbraw/zinc/58/07/99/952580799.db2.gz TZFBQOHSOSNHPI-UHFFFAOYSA-N -1 3 378.299 0.842 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCOC2)c1ccnc(OC(F)F)c1 ZINC001571130569 952580807 /nfs/dbraw/zinc/58/08/07/952580807.db2.gz TZFBQOHSOSNHPI-UHFFFAOYSA-N -1 3 378.299 0.842 20 0 GCADHM CN(CCNc1nnccc1-c1nnn[n-]1)S(=O)(=O)c1ccc(F)cc1 ZINC001571130755 952582012 /nfs/dbraw/zinc/58/20/12/952582012.db2.gz WMJLJMUQWSQNDB-UHFFFAOYSA-N -1 3 378.393 0.528 20 0 GCADHM CN(CCNc1nnccc1-c1nn[n-]n1)S(=O)(=O)c1ccc(F)cc1 ZINC001571130755 952582013 /nfs/dbraw/zinc/58/20/13/952582013.db2.gz WMJLJMUQWSQNDB-UHFFFAOYSA-N -1 3 378.393 0.528 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(=O)[nH]c2)ccc1-c1nnn[n-]1 ZINC001571130912 952582668 /nfs/dbraw/zinc/58/26/68/952582668.db2.gz YJBFVVAFLFVCQY-STQMWFEESA-N -1 3 378.396 0.774 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(=O)[nH]c2)ccc1-c1nn[n-]n1 ZINC001571130912 952582671 /nfs/dbraw/zinc/58/26/71/952582671.db2.gz YJBFVVAFLFVCQY-STQMWFEESA-N -1 3 378.396 0.774 20 0 GCADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCc1cc(C)on1 ZINC001571130856 952582879 /nfs/dbraw/zinc/58/28/79/952582879.db2.gz XHNDCZFJBQGKKW-UHFFFAOYSA-N -1 3 378.370 0.428 20 0 GCADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCc1cc(C)on1 ZINC001571130856 952582881 /nfs/dbraw/zinc/58/28/81/952582881.db2.gz XHNDCZFJBQGKKW-UHFFFAOYSA-N -1 3 378.370 0.428 20 0 GCADHM Cc1cc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)ncc1-c1nnn[n-]1 ZINC001571134870 952596204 /nfs/dbraw/zinc/59/62/04/952596204.db2.gz MFAGGBSPRGJXFF-KRWDZBQOSA-N -1 3 378.440 0.919 20 0 GCADHM Cc1cc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)ncc1-c1nn[n-]n1 ZINC001571134870 952596207 /nfs/dbraw/zinc/59/62/07/952596207.db2.gz MFAGGBSPRGJXFF-KRWDZBQOSA-N -1 3 378.440 0.919 20 0 GCADHM Cc1cnn(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001571134826 952596591 /nfs/dbraw/zinc/59/65/91/952596591.db2.gz NQDMVYGCUPJDBN-IRXDYDNUSA-N -1 3 378.440 0.857 20 0 GCADHM O=C(c1cccc(=O)[nH]1)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571135783 952608811 /nfs/dbraw/zinc/60/88/11/952608811.db2.gz DKYSWQQBOPEIAP-TXEJJXNPSA-N -1 3 378.396 0.571 20 0 GCADHM O=C(c1cccc(=O)[nH]1)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571135783 952608813 /nfs/dbraw/zinc/60/88/13/952608813.db2.gz DKYSWQQBOPEIAP-TXEJJXNPSA-N -1 3 378.396 0.571 20 0 GCADHM COC(=O)[C@]12CCC[C@H]1N(S(=O)(=O)c1cncc(-c3nnn[n-]3)c1)CC2 ZINC001571136009 952611071 /nfs/dbraw/zinc/61/10/71/952611071.db2.gz KHKHAJAAHFIOAE-DOMZBBRYSA-N -1 3 378.414 0.368 20 0 GCADHM COC(=O)[C@]12CCC[C@H]1N(S(=O)(=O)c1cncc(-c3nn[n-]n3)c1)CC2 ZINC001571136009 952611074 /nfs/dbraw/zinc/61/10/74/952611074.db2.gz KHKHAJAAHFIOAE-DOMZBBRYSA-N -1 3 378.414 0.368 20 0 GCADHM O=C(CCN1C(=O)COc2ccccc21)NCc1cncc(-c2nnn[n-]2)c1 ZINC001571140060 952623426 /nfs/dbraw/zinc/62/34/26/952623426.db2.gz OIFXEDMGSPAEQO-UHFFFAOYSA-N -1 3 379.380 0.694 20 0 GCADHM O=C(CCN1C(=O)COc2ccccc21)NCc1cncc(-c2nn[n-]n2)c1 ZINC001571140060 952623430 /nfs/dbraw/zinc/62/34/30/952623430.db2.gz OIFXEDMGSPAEQO-UHFFFAOYSA-N -1 3 379.380 0.694 20 0 GCADHM CNC(=O)c1ccc(NC(=O)N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)nn1 ZINC001571140142 952623520 /nfs/dbraw/zinc/62/35/20/952623520.db2.gz ONUVBCBWHNTTNI-LBPRGKRZSA-N -1 3 379.384 0.305 20 0 GCADHM CNC(=O)c1ccc(NC(=O)N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)nn1 ZINC001571140142 952623522 /nfs/dbraw/zinc/62/35/22/952623522.db2.gz ONUVBCBWHNTTNI-LBPRGKRZSA-N -1 3 379.384 0.305 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCC1(F)F ZINC001571140188 952623838 /nfs/dbraw/zinc/62/38/38/952623838.db2.gz OUBVCXUEBFXASY-UWVGGRQHSA-N -1 3 379.371 0.818 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCC1(F)F ZINC001571140188 952623842 /nfs/dbraw/zinc/62/38/42/952623842.db2.gz OUBVCXUEBFXASY-UWVGGRQHSA-N -1 3 379.371 0.818 20 0 GCADHM O=C(NC1CC(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571140346 952624538 /nfs/dbraw/zinc/62/45/38/952624538.db2.gz PWAZFXPNSCOPJW-QLEHZGMVSA-N -1 3 379.371 0.721 20 0 GCADHM O=C(NC1CC(CNC(=O)[C@H]2C[C@@H]2C(F)F)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571140346 952624542 /nfs/dbraw/zinc/62/45/42/952624542.db2.gz PWAZFXPNSCOPJW-QLEHZGMVSA-N -1 3 379.371 0.721 20 0 GCADHM CN(C(=O)[C@@]1(F)CCOC1)C1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571140440 952625742 /nfs/dbraw/zinc/62/57/42/952625742.db2.gz QUHFDAWUTCYPSE-CLIRUNRCSA-N -1 3 379.371 0.931 20 0 GCADHM CN(C(=O)[C@@]1(F)CCOC1)C1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571140440 952625749 /nfs/dbraw/zinc/62/57/49/952625749.db2.gz QUHFDAWUTCYPSE-CLIRUNRCSA-N -1 3 379.371 0.931 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC(NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001571140762 952628319 /nfs/dbraw/zinc/62/83/19/952628319.db2.gz SQUXCSCGIUTSMG-RTBKNWGFSA-N -1 3 379.371 0.959 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC(NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001571140762 952628321 /nfs/dbraw/zinc/62/83/21/952628321.db2.gz SQUXCSCGIUTSMG-RTBKNWGFSA-N -1 3 379.371 0.959 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC(F)(F)C1 ZINC001571140725 952628390 /nfs/dbraw/zinc/62/83/90/952628390.db2.gz SEQWIJYBJNEDMR-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC(F)(F)C1 ZINC001571140725 952628392 /nfs/dbraw/zinc/62/83/92/952628392.db2.gz SEQWIJYBJNEDMR-VIFPVBQESA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC(F)(F)C1 ZINC001571141681 952634872 /nfs/dbraw/zinc/63/48/72/952634872.db2.gz YSAFYQLQEQYSQY-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM O=C(N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC(F)(F)C1 ZINC001571141681 952634874 /nfs/dbraw/zinc/63/48/74/952634874.db2.gz YSAFYQLQEQYSQY-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@H](CO)CC1OCCO1 ZINC001571142188 952638869 /nfs/dbraw/zinc/63/88/69/952638869.db2.gz QZFKNQUCIJYYAS-NSHDSACASA-N -1 3 379.421 0.669 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@H](CO)CC1OCCO1 ZINC001571142188 952638873 /nfs/dbraw/zinc/63/88/73/952638873.db2.gz QZFKNQUCIJYYAS-NSHDSACASA-N -1 3 379.421 0.669 20 0 GCADHM CC[C@@H]1C[C@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571142298 952639703 /nfs/dbraw/zinc/63/97/03/952639703.db2.gz ONCJQAWROVLQAV-WZRBSPASSA-N -1 3 378.458 0.696 20 0 GCADHM CC[C@@H]1C[C@H]1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571142298 952639707 /nfs/dbraw/zinc/63/97/07/952639707.db2.gz ONCJQAWROVLQAV-WZRBSPASSA-N -1 3 378.458 0.696 20 0 GCADHM Cc1nsc(N[C@H]2C[C@H](NC(=O)[C@H]3CN(C)CCO3)C2)c1-c1nnn[n-]1 ZINC001571142700 952644832 /nfs/dbraw/zinc/64/48/32/952644832.db2.gz VXLGYQWPANFVKH-GMTAPVOTSA-N -1 3 378.462 0.021 20 0 GCADHM Cc1nsc(N[C@H]2C[C@H](NC(=O)[C@H]3CN(C)CCO3)C2)c1-c1nn[n-]n1 ZINC001571142700 952644833 /nfs/dbraw/zinc/64/48/33/952644833.db2.gz VXLGYQWPANFVKH-GMTAPVOTSA-N -1 3 378.462 0.021 20 0 GCADHM Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cncn2C)ccc1-c1nnn[n-]1 ZINC001571146047 952647427 /nfs/dbraw/zinc/64/74/27/952647427.db2.gz AXOPFBGEZXOGGZ-BETUJISGSA-N -1 3 379.428 0.797 20 0 GCADHM Cc1nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cncn2C)ccc1-c1nn[n-]n1 ZINC001571146047 952647428 /nfs/dbraw/zinc/64/74/28/952647428.db2.gz AXOPFBGEZXOGGZ-BETUJISGSA-N -1 3 379.428 0.797 20 0 GCADHM O=C(Cn1ccnc1)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001571146248 952648211 /nfs/dbraw/zinc/64/82/11/952648211.db2.gz DYUHXNMDWDFPDG-OKILXGFUSA-N -1 3 379.428 0.728 20 0 GCADHM O=C(Cn1ccnc1)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001571146248 952648215 /nfs/dbraw/zinc/64/82/15/952648215.db2.gz DYUHXNMDWDFPDG-OKILXGFUSA-N -1 3 379.428 0.728 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571146235 952648326 /nfs/dbraw/zinc/64/83/26/952648326.db2.gz DVLBJMXOLICVDW-KBPBESRZSA-N -1 3 379.428 0.634 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571146235 952648328 /nfs/dbraw/zinc/64/83/28/952648328.db2.gz DVLBJMXOLICVDW-KBPBESRZSA-N -1 3 379.428 0.634 20 0 GCADHM O=C(Cn1ccnc1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001571146341 952649164 /nfs/dbraw/zinc/64/91/64/952649164.db2.gz GGOQBHDFMBJMKE-MAUKXSAKSA-N -1 3 379.428 0.776 20 0 GCADHM O=C(Cn1ccnc1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001571146341 952649166 /nfs/dbraw/zinc/64/91/66/952649166.db2.gz GGOQBHDFMBJMKE-MAUKXSAKSA-N -1 3 379.428 0.776 20 0 GCADHM Cc1cnn(C)c1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571146550 952649963 /nfs/dbraw/zinc/64/99/63/952649963.db2.gz IGHWOFQFSSOLCE-OKILXGFUSA-N -1 3 379.428 0.512 20 0 GCADHM Cc1cnn(C)c1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571146550 952649968 /nfs/dbraw/zinc/64/99/68/952649968.db2.gz IGHWOFQFSSOLCE-OKILXGFUSA-N -1 3 379.428 0.512 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCn2ccnc2C1 ZINC001571146582 952650243 /nfs/dbraw/zinc/65/02/43/952650243.db2.gz JEFDJVJFYNKXSF-OLZOCXBDSA-N -1 3 379.428 0.416 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCn2ccnc2C1 ZINC001571146582 952650245 /nfs/dbraw/zinc/65/02/45/952650245.db2.gz JEFDJVJFYNKXSF-OLZOCXBDSA-N -1 3 379.428 0.416 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1 ZINC001571146757 952651832 /nfs/dbraw/zinc/65/18/32/952651832.db2.gz BFJUXDKENCPMTP-GFCCVEGCSA-N -1 3 379.428 0.755 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1 ZINC001571146757 952651835 /nfs/dbraw/zinc/65/18/35/952651835.db2.gz BFJUXDKENCPMTP-GFCCVEGCSA-N -1 3 379.428 0.755 20 0 GCADHM Cc1nnccc1C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571146731 952652184 /nfs/dbraw/zinc/65/21/84/952652184.db2.gz MBMPVHDIROQPQB-ZDUSSCGKSA-N -1 3 379.428 0.959 20 0 GCADHM Cc1nnccc1C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571146731 952652187 /nfs/dbraw/zinc/65/21/87/952652187.db2.gz MBMPVHDIROQPQB-ZDUSSCGKSA-N -1 3 379.428 0.959 20 0 GCADHM Cn1cc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nnn[n-]4)nc3)C2)cn1 ZINC001571146708 952652329 /nfs/dbraw/zinc/65/23/29/952652329.db2.gz LTBUJZAOVGGHMF-WBMJQRKESA-N -1 3 379.428 0.736 20 0 GCADHM Cn1cc(C(=O)N2CC[C@H]3[C@H](CCN3c3ccc(-c4nn[n-]n4)nc3)C2)cn1 ZINC001571146708 952652332 /nfs/dbraw/zinc/65/23/32/952652332.db2.gz LTBUJZAOVGGHMF-WBMJQRKESA-N -1 3 379.428 0.736 20 0 GCADHM O=C(Cn1cccn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1 ZINC001571146722 952652379 /nfs/dbraw/zinc/65/23/79/952652379.db2.gz LVSDTRZZJZKIRS-GASCZTMLSA-N -1 3 379.428 0.728 20 0 GCADHM O=C(Cn1cccn1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001571146722 952652380 /nfs/dbraw/zinc/65/23/80/952652380.db2.gz LVSDTRZZJZKIRS-GASCZTMLSA-N -1 3 379.428 0.728 20 0 GCADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cc[nH]n2)C3)ccc1-c1nnn[n-]1 ZINC001571147052 952656036 /nfs/dbraw/zinc/65/60/36/952656036.db2.gz REQQGVWIWUNWBA-SNPRPXQTSA-N -1 3 379.428 0.762 20 0 GCADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cc2cc[nH]n2)C3)ccc1-c1nn[n-]n1 ZINC001571147052 952656046 /nfs/dbraw/zinc/65/60/46/952656046.db2.gz REQQGVWIWUNWBA-SNPRPXQTSA-N -1 3 379.428 0.762 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1)n1cccn1 ZINC001571147174 952657217 /nfs/dbraw/zinc/65/72/17/952657217.db2.gz IDDYIEHSRGZGAE-AEGPPILISA-N -1 3 379.428 0.899 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1)n1cccn1 ZINC001571147174 952657221 /nfs/dbraw/zinc/65/72/21/952657221.db2.gz IDDYIEHSRGZGAE-AEGPPILISA-N -1 3 379.428 0.899 20 0 GCADHM Cc1c[nH]nc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571147210 952658954 /nfs/dbraw/zinc/65/89/54/952658954.db2.gz IZLDUBSBKZFCMY-KGLIPLIRSA-N -1 3 379.428 0.892 20 0 GCADHM Cc1c[nH]nc1C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571147210 952658956 /nfs/dbraw/zinc/65/89/56/952658956.db2.gz IZLDUBSBKZFCMY-KGLIPLIRSA-N -1 3 379.428 0.892 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571147439 952661701 /nfs/dbraw/zinc/66/17/01/952661701.db2.gz YCWBVTAIQQCIMO-BLLLJJGKSA-N -1 3 379.428 0.655 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571147439 952661706 /nfs/dbraw/zinc/66/17/06/952661706.db2.gz YCWBVTAIQQCIMO-BLLLJJGKSA-N -1 3 379.428 0.655 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)cn1 ZINC001571147534 952662851 /nfs/dbraw/zinc/66/28/51/952662851.db2.gz NGFBQQQUVZQCBV-SWLSCSKDSA-N -1 3 379.428 0.829 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)cn1 ZINC001571147534 952662852 /nfs/dbraw/zinc/66/28/52/952662852.db2.gz NGFBQQQUVZQCBV-SWLSCSKDSA-N -1 3 379.428 0.829 20 0 GCADHM CCc1n[nH]cc1C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571148056 952665653 /nfs/dbraw/zinc/66/56/53/952665653.db2.gz UDDGSIQQXQBRIN-TXEJJXNPSA-N -1 3 379.428 0.756 20 0 GCADHM CCc1n[nH]cc1C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571148056 952665657 /nfs/dbraw/zinc/66/56/57/952665657.db2.gz UDDGSIQQXQBRIN-TXEJJXNPSA-N -1 3 379.428 0.756 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cnccn2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571148301 952666162 /nfs/dbraw/zinc/66/61/62/952666162.db2.gz YFEMJLBBBRVEGX-BLLLJJGKSA-N -1 3 379.428 0.943 20 0 GCADHM C[C@H]1CN(C(=O)CCc2cnccn2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571148301 952666165 /nfs/dbraw/zinc/66/61/65/952666165.db2.gz YFEMJLBBBRVEGX-BLLLJJGKSA-N -1 3 379.428 0.943 20 0 GCADHM CCn1cnc(C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)c1 ZINC001571148260 952666352 /nfs/dbraw/zinc/66/63/52/952666352.db2.gz XDEIWQNEPCQRRG-ZSOGYDGISA-N -1 3 379.428 0.590 20 0 GCADHM CCn1cnc(C(=O)NC[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)c1 ZINC001571148260 952666354 /nfs/dbraw/zinc/66/63/54/952666354.db2.gz XDEIWQNEPCQRRG-ZSOGYDGISA-N -1 3 379.428 0.590 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1)C(C)C ZINC001571150869 952671498 /nfs/dbraw/zinc/67/14/98/952671498.db2.gz HWRNULZYKYXWNF-NSHDSACASA-N -1 3 379.446 0.776 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1)C(C)C ZINC001571150869 952671504 /nfs/dbraw/zinc/67/15/04/952671504.db2.gz HWRNULZYKYXWNF-NSHDSACASA-N -1 3 379.446 0.776 20 0 GCADHM CN(C(=O)CCCS(=O)(=O)N1CCCC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001571151297 952674754 /nfs/dbraw/zinc/67/47/54/952674754.db2.gz OCCIAAUZIYQRMJ-UHFFFAOYSA-N -1 3 379.446 0.430 20 0 GCADHM CN(C(=O)CCCS(=O)(=O)N1CCCC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001571151297 952674756 /nfs/dbraw/zinc/67/47/56/952674756.db2.gz OCCIAAUZIYQRMJ-UHFFFAOYSA-N -1 3 379.446 0.430 20 0 GCADHM CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC001571151636 952676322 /nfs/dbraw/zinc/67/63/22/952676322.db2.gz SGNVBWRBACODRK-LBPRGKRZSA-N -1 3 379.446 0.257 20 0 GCADHM CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC001571151636 952676329 /nfs/dbraw/zinc/67/63/29/952676329.db2.gz SGNVBWRBACODRK-LBPRGKRZSA-N -1 3 379.446 0.257 20 0 GCADHM Cc1nc(C(=O)N2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)CC2)c[nH]1 ZINC001571152964 952684669 /nfs/dbraw/zinc/68/46/69/952684669.db2.gz MHCSKMWKOSRJEQ-UHFFFAOYSA-N -1 3 379.837 0.971 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001571155025 952691297 /nfs/dbraw/zinc/69/12/97/952691297.db2.gz DXONTSOUKYMIPK-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001571155025 952691300 /nfs/dbraw/zinc/69/13/00/952691300.db2.gz DXONTSOUKYMIPK-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM CN(C(=O)c1ccc(=O)n(C)c1)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571155117 952692673 /nfs/dbraw/zinc/69/26/73/952692673.db2.gz IEGDXLKGDGXCPA-CQSZACIVSA-N -1 3 380.412 0.311 20 0 GCADHM CN(C(=O)c1ccc(=O)n(C)c1)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571155117 952692676 /nfs/dbraw/zinc/69/26/76/952692676.db2.gz IEGDXLKGDGXCPA-CQSZACIVSA-N -1 3 380.412 0.311 20 0 GCADHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)CNC(=O)c1ccccc1 ZINC001571155179 952693410 /nfs/dbraw/zinc/69/34/10/952693410.db2.gz JWPFJDXFNLQPDG-MRXNPFEDSA-N -1 3 380.408 0.789 20 0 GCADHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)CNC(=O)c1ccccc1 ZINC001571155179 952693414 /nfs/dbraw/zinc/69/34/14/952693414.db2.gz JWPFJDXFNLQPDG-MRXNPFEDSA-N -1 3 380.408 0.789 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001571155153 952693494 /nfs/dbraw/zinc/69/34/94/952693494.db2.gz JDVZOLROBBXPFR-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cccn(C)c1=O ZINC001571155153 952693497 /nfs/dbraw/zinc/69/34/97/952693497.db2.gz JDVZOLROBBXPFR-RISCZKNCSA-N -1 3 380.412 0.676 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)c2cccc(=O)n2C)C1 ZINC001571155422 952696779 /nfs/dbraw/zinc/69/67/79/952696779.db2.gz RHBSCYDXNWBIMB-ZDUSSCGKSA-N -1 3 380.412 0.311 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)c2cccc(=O)n2C)C1 ZINC001571155422 952696786 /nfs/dbraw/zinc/69/67/86/952696786.db2.gz RHBSCYDXNWBIMB-ZDUSSCGKSA-N -1 3 380.412 0.311 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1cccn(C)c1=O ZINC001571155543 952697577 /nfs/dbraw/zinc/69/75/77/952697577.db2.gz VTVPXNZQXUMRHL-WCQYABFASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1cccn(C)c1=O ZINC001571155543 952697579 /nfs/dbraw/zinc/69/75/79/952697579.db2.gz VTVPXNZQXUMRHL-WCQYABFASA-N -1 3 380.412 0.676 20 0 GCADHM CCc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571155547 952698892 /nfs/dbraw/zinc/69/88/92/952698892.db2.gz WDJXHXSEYCWEBN-CYBMUJFWSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccnc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571155547 952698894 /nfs/dbraw/zinc/69/88/94/952698894.db2.gz WDJXHXSEYCWEBN-CYBMUJFWSA-N -1 3 380.412 0.797 20 0 GCADHM CCc1cccnc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571155560 952699290 /nfs/dbraw/zinc/69/92/90/952699290.db2.gz WRHXFPUXMJOFIV-TXEJJXNPSA-N -1 3 380.412 0.843 20 0 GCADHM CCc1cccnc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571155560 952699295 /nfs/dbraw/zinc/69/92/95/952699295.db2.gz WRHXFPUXMJOFIV-TXEJJXNPSA-N -1 3 380.412 0.843 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C)cc3=O)C2)n1 ZINC001571158452 952711167 /nfs/dbraw/zinc/71/11/67/952711167.db2.gz ICAIAHMBZYGRDF-TXEJJXNPSA-N -1 3 380.412 0.940 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@@H](NC(=O)c3c[nH]c(C)cc3=O)C2)n1 ZINC001571158452 952711170 /nfs/dbraw/zinc/71/11/70/952711170.db2.gz ICAIAHMBZYGRDF-TXEJJXNPSA-N -1 3 380.412 0.940 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)cn1 ZINC001571158446 952711314 /nfs/dbraw/zinc/71/13/14/952711314.db2.gz HUXGVMUINZRLDJ-HUUCEWRRSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)cn1 ZINC001571158446 952711317 /nfs/dbraw/zinc/71/13/17/952711317.db2.gz HUXGVMUINZRLDJ-HUUCEWRRSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2C)ccn1 ZINC001571158487 952712266 /nfs/dbraw/zinc/71/22/66/952712266.db2.gz JJLILOUUECIMET-DGCLKSJQSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2C)ccn1 ZINC001571158487 952712272 /nfs/dbraw/zinc/71/22/72/952712272.db2.gz JJLILOUUECIMET-DGCLKSJQSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1ccc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001571158706 952713143 /nfs/dbraw/zinc/71/31/43/952713143.db2.gz MWKRUMLQQOQXHC-AWEZNQCLSA-N -1 3 380.412 0.472 20 0 GCADHM Cc1ccc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001571158706 952713149 /nfs/dbraw/zinc/71/31/49/952713149.db2.gz MWKRUMLQQOQXHC-AWEZNQCLSA-N -1 3 380.412 0.472 20 0 GCADHM COc1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)nc1 ZINC001571158741 952715136 /nfs/dbraw/zinc/71/51/36/952715136.db2.gz NSOUKLAOGDBNKF-ZDUSSCGKSA-N -1 3 380.412 0.603 20 0 GCADHM COc1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)nc1 ZINC001571158741 952715140 /nfs/dbraw/zinc/71/51/40/952715140.db2.gz NSOUKLAOGDBNKF-ZDUSSCGKSA-N -1 3 380.412 0.603 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)cn1 ZINC001571159088 952716916 /nfs/dbraw/zinc/71/69/16/952716916.db2.gz QGVYBUVNXACUAP-RISCZKNCSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)cn1 ZINC001571159088 952716918 /nfs/dbraw/zinc/71/69/18/952716918.db2.gz QGVYBUVNXACUAP-RISCZKNCSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)c(C)n4)C[C@H]32)no1 ZINC001571159506 952719546 /nfs/dbraw/zinc/71/95/46/952719546.db2.gz WRXWXKUKCSEMHT-ZSOGYDGISA-N -1 3 380.412 0.979 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)c(C)n4)C[C@H]32)no1 ZINC001571159506 952719549 /nfs/dbraw/zinc/71/95/49/952719549.db2.gz WRXWXKUKCSEMHT-ZSOGYDGISA-N -1 3 380.412 0.979 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(C(=O)c2cnccn2)CC1 ZINC001571159469 952719733 /nfs/dbraw/zinc/71/97/33/952719733.db2.gz VUVPZQMMQBAJBS-UHFFFAOYSA-N -1 3 380.412 0.623 20 0 GCADHM O=C(c1ccc[nH]1)N1CC[C@]2(C1)CN(c1ncccc1-c1nnn[n-]1)CCO2 ZINC001571160055 952722860 /nfs/dbraw/zinc/72/28/60/952722860.db2.gz CBIVZLKPWQYHNY-GOSISDBHSA-N -1 3 380.412 0.711 20 0 GCADHM O=C(c1ccc[nH]1)N1CC[C@]2(C1)CN(c1ncccc1-c1nn[n-]n1)CCO2 ZINC001571160055 952722864 /nfs/dbraw/zinc/72/28/64/952722864.db2.gz CBIVZLKPWQYHNY-GOSISDBHSA-N -1 3 380.412 0.711 20 0 GCADHM O=C(CCc1ccncc1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571160024 952722872 /nfs/dbraw/zinc/72/28/72/952722872.db2.gz BCGZCEYVRGMSLG-UHFFFAOYSA-N -1 3 380.412 0.507 20 0 GCADHM O=C(CCc1ccncc1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571160024 952722876 /nfs/dbraw/zinc/72/28/76/952722876.db2.gz BCGZCEYVRGMSLG-UHFFFAOYSA-N -1 3 380.412 0.507 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1cc2c([nH]1)CCC2 ZINC001571160080 952723131 /nfs/dbraw/zinc/72/31/31/952723131.db2.gz DCOFEYHORNQWST-CABCVRRESA-N -1 3 380.412 0.058 20 0 GCADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1cc2c([nH]1)CCC2 ZINC001571160080 952723134 /nfs/dbraw/zinc/72/31/34/952723134.db2.gz DCOFEYHORNQWST-CABCVRRESA-N -1 3 380.412 0.058 20 0 GCADHM O=C(N[C@@H]1CC12CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CC2)c1cc[nH]c1 ZINC001571160229 952723752 /nfs/dbraw/zinc/72/37/52/952723752.db2.gz FEIKTMCVXGBQII-CQSZACIVSA-N -1 3 380.412 0.948 20 0 GCADHM O=C(N[C@@H]1CC12CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CC2)c1cc[nH]c1 ZINC001571160229 952723755 /nfs/dbraw/zinc/72/37/55/952723755.db2.gz FEIKTMCVXGBQII-CQSZACIVSA-N -1 3 380.412 0.948 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3cn(C)ccc3=O)C2)ccc1-c1nnn[n-]1 ZINC001571160291 952724977 /nfs/dbraw/zinc/72/49/77/952724977.db2.gz GTJLKURRHIUBNH-TXEJJXNPSA-N -1 3 380.412 0.642 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3cn(C)ccc3=O)C2)ccc1-c1nn[n-]n1 ZINC001571160291 952724979 /nfs/dbraw/zinc/72/49/79/952724979.db2.gz GTJLKURRHIUBNH-TXEJJXNPSA-N -1 3 380.412 0.642 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2cncn2C)n1 ZINC001571160276 952725188 /nfs/dbraw/zinc/72/51/88/952725188.db2.gz XSHMMORYOUTXHS-KBPBESRZSA-N -1 3 379.428 0.336 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)Cc2cncn2C)n1 ZINC001571160276 952725191 /nfs/dbraw/zinc/72/51/91/952725191.db2.gz XSHMMORYOUTXHS-KBPBESRZSA-N -1 3 379.428 0.336 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1)c1ccncc1 ZINC001571160285 952725230 /nfs/dbraw/zinc/72/52/30/952725230.db2.gz GKLVYEYKICLUFQ-OAHLLOKOSA-N -1 3 380.412 0.682 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1)c1ccncc1 ZINC001571160285 952725234 /nfs/dbraw/zinc/72/52/34/952725234.db2.gz GKLVYEYKICLUFQ-OAHLLOKOSA-N -1 3 380.412 0.682 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)ccc1-c1nnn[n-]1 ZINC001571160766 952728158 /nfs/dbraw/zinc/72/81/58/952728158.db2.gz LYAHHAJYJARHQL-ZDUSSCGKSA-N -1 3 380.412 0.595 20 0 GCADHM Cc1nc(N[C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)ccc1-c1nn[n-]n1 ZINC001571160766 952728160 /nfs/dbraw/zinc/72/81/60/952728160.db2.gz LYAHHAJYJARHQL-ZDUSSCGKSA-N -1 3 380.412 0.595 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571160775 952728531 /nfs/dbraw/zinc/72/85/31/952728531.db2.gz LYRPCAJLUGZARG-UKRRQHHQSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571160775 952728535 /nfs/dbraw/zinc/72/85/35/952728535.db2.gz LYRPCAJLUGZARG-UKRRQHHQSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ncccc1C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161040 952730048 /nfs/dbraw/zinc/73/00/48/952730048.db2.gz PETNKJUUPCXXGY-LBPRGKRZSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1ncccc1C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161040 952730051 /nfs/dbraw/zinc/73/00/51/952730051.db2.gz PETNKJUUPCXXGY-LBPRGKRZSA-N -1 3 380.412 0.933 20 0 GCADHM Cc1ccncc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571161260 952731516 /nfs/dbraw/zinc/73/15/16/952731516.db2.gz SZFKVKAEDMCYFQ-LSDHHAIUSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccncc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571161260 952731517 /nfs/dbraw/zinc/73/15/17/952731517.db2.gz SZFKVKAEDMCYFQ-LSDHHAIUSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccncc1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571161236 952731580 /nfs/dbraw/zinc/73/15/80/952731580.db2.gz RTULTGVGMFCOIP-UHFFFAOYSA-N -1 3 380.412 0.887 20 0 GCADHM Cc1ccncc1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571161236 952731585 /nfs/dbraw/zinc/73/15/85/952731585.db2.gz RTULTGVGMFCOIP-UHFFFAOYSA-N -1 3 380.412 0.887 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001571161271 952731899 /nfs/dbraw/zinc/73/18/99/952731899.db2.gz UBTCEECMTYTKMI-GDBMZVCRSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1cnccc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001571161271 952731901 /nfs/dbraw/zinc/73/19/01/952731901.db2.gz UBTCEECMTYTKMI-GDBMZVCRSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccncc1C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1 ZINC001571161620 952734204 /nfs/dbraw/zinc/73/42/04/952734204.db2.gz YYCOUYMFLMVEGO-CYBMUJFWSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1ccncc1C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1 ZINC001571161620 952734205 /nfs/dbraw/zinc/73/42/05/952734205.db2.gz YYCOUYMFLMVEGO-CYBMUJFWSA-N -1 3 380.412 0.600 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571161602 952734338 /nfs/dbraw/zinc/73/43/38/952734338.db2.gz YBTPGDBANOHCMR-GOSISDBHSA-N -1 3 380.412 0.921 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571161602 952734341 /nfs/dbraw/zinc/73/43/41/952734341.db2.gz YBTPGDBANOHCMR-GOSISDBHSA-N -1 3 380.412 0.921 20 0 GCADHM C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571162112 952738217 /nfs/dbraw/zinc/73/82/17/952738217.db2.gz KMZFMSOGBVDZKG-GHMZBOCLSA-N -1 3 380.416 0.454 20 0 GCADHM C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571162112 952738220 /nfs/dbraw/zinc/73/82/20/952738220.db2.gz KMZFMSOGBVDZKG-GHMZBOCLSA-N -1 3 380.416 0.454 20 0 GCADHM C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571162114 952738625 /nfs/dbraw/zinc/73/86/25/952738625.db2.gz KMZFMSOGBVDZKG-QWRGUYRKSA-N -1 3 380.416 0.454 20 0 GCADHM C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571162114 952738627 /nfs/dbraw/zinc/73/86/27/952738627.db2.gz KMZFMSOGBVDZKG-QWRGUYRKSA-N -1 3 380.416 0.454 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1)c1n[nH]c2c1CCCC2 ZINC001571164935 952745865 /nfs/dbraw/zinc/74/58/65/952745865.db2.gz AAMUOBZIODMLRQ-AOOOYVTPSA-N -1 3 380.416 0.632 20 0 GCADHM Cc1nc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2cnc(-c3nnn[n-]3)cn2)c[nH]1 ZINC001571165210 952748853 /nfs/dbraw/zinc/74/88/53/952748853.db2.gz GDAQJNBAGHGUMN-TXEJJXNPSA-N -1 3 380.416 0.572 20 0 GCADHM Cc1nccn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571165485 952750637 /nfs/dbraw/zinc/75/06/37/952750637.db2.gz HWMYAOHXOVXVEP-BETUJISGSA-N -1 3 380.416 0.041 20 0 GCADHM Cc1nccn1CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571165485 952750641 /nfs/dbraw/zinc/75/06/41/952750641.db2.gz HWMYAOHXOVXVEP-BETUJISGSA-N -1 3 380.416 0.041 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@]12CCC[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571165468 952751026 /nfs/dbraw/zinc/75/10/26/952751026.db2.gz HJFCCWPGMYYKGQ-GTNSWQLSSA-N -1 3 380.416 0.098 20 0 GCADHM O=C(Cc1c[nH]cn1)N[C@]12CCC[C@H]1CN(c1cncc(-c3nn[n-]n3)n1)C2 ZINC001571165468 952751030 /nfs/dbraw/zinc/75/10/30/952751030.db2.gz HJFCCWPGMYYKGQ-GTNSWQLSSA-N -1 3 380.416 0.098 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2CC23CCN(c2ncccc2-c2nnn[n-]2)CC3)n1 ZINC001571165500 952752225 /nfs/dbraw/zinc/75/22/25/952752225.db2.gz IIZYNJJUDXEYIJ-LBPRGKRZSA-N -1 3 380.416 0.179 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2CC23CCN(c2ncccc2-c2nn[n-]n2)CC3)n1 ZINC001571165500 952752230 /nfs/dbraw/zinc/75/22/30/952752230.db2.gz IIZYNJJUDXEYIJ-LBPRGKRZSA-N -1 3 380.416 0.179 20 0 GCADHM Cn1cnc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nnn[n-]4)nc2)C3)n1 ZINC001571165545 952752259 /nfs/dbraw/zinc/75/22/59/952752259.db2.gz JIZJHHLADDDRRL-GTNSWQLSSA-N -1 3 380.416 0.179 20 0 GCADHM Cn1cnc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[n-]n4)nc2)C3)n1 ZINC001571165545 952752261 /nfs/dbraw/zinc/75/22/61/952752261.db2.gz JIZJHHLADDDRRL-GTNSWQLSSA-N -1 3 380.416 0.179 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571165593 952753918 /nfs/dbraw/zinc/75/39/18/952753918.db2.gz GHVISTSQISEQDJ-ONGXEEELSA-N -1 3 380.434 0.101 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571165593 952753923 /nfs/dbraw/zinc/75/39/23/952753923.db2.gz GHVISTSQISEQDJ-ONGXEEELSA-N -1 3 380.434 0.101 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C23CCC3)nn1 ZINC001571165755 952754582 /nfs/dbraw/zinc/75/45/82/952754582.db2.gz JREJOTKPKYXYDO-QWHCGFSZSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C23CCC3)nn1 ZINC001571165755 952754584 /nfs/dbraw/zinc/75/45/84/952754584.db2.gz JREJOTKPKYXYDO-QWHCGFSZSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@@]3(CCN(c4ccc(-c5nnn[n-]5)nc4)C3)C2)n1 ZINC001571166868 952766938 /nfs/dbraw/zinc/76/69/38/952766938.db2.gz YJEHRAFTXMAXKW-QGZVFWFLSA-N -1 3 380.416 0.133 20 0 GCADHM Cn1cnc(C(=O)N2CC[C@@]3(CCN(c4ccc(-c5nn[n-]n5)nc4)C3)C2)n1 ZINC001571166868 952766941 /nfs/dbraw/zinc/76/69/41/952766941.db2.gz YJEHRAFTXMAXKW-QGZVFWFLSA-N -1 3 380.416 0.133 20 0 GCADHM O=C(Cc1ccoc1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571169953 952781025 /nfs/dbraw/zinc/78/10/25/952781025.db2.gz AIVFBUNPBSDHFF-UHFFFAOYSA-N -1 3 381.396 0.705 20 0 GCADHM O=C(Cc1ccoc1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571169953 952781028 /nfs/dbraw/zinc/78/10/28/952781028.db2.gz AIVFBUNPBSDHFF-UHFFFAOYSA-N -1 3 381.396 0.705 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001571170375 952784961 /nfs/dbraw/zinc/78/49/61/952784961.db2.gz HWQMAZIJDRRORO-CHWSQXEVSA-N -1 3 381.396 0.876 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001571170375 952784964 /nfs/dbraw/zinc/78/49/64/952784964.db2.gz HWQMAZIJDRRORO-CHWSQXEVSA-N -1 3 381.396 0.876 20 0 GCADHM O=C(Cc1ccco1)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571170348 952785108 /nfs/dbraw/zinc/78/51/08/952785108.db2.gz HDQOOWBJKTYCEX-XHDPSFHLSA-N -1 3 381.396 0.703 20 0 GCADHM O=C(Cc1ccco1)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571170348 952785110 /nfs/dbraw/zinc/78/51/10/952785110.db2.gz HDQOOWBJKTYCEX-XHDPSFHLSA-N -1 3 381.396 0.703 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001571170724 952787857 /nfs/dbraw/zinc/78/78/57/952787857.db2.gz KZPINLALEXYUEY-FZMZJTMJSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001571170724 952787858 /nfs/dbraw/zinc/78/78/58/952787858.db2.gz KZPINLALEXYUEY-FZMZJTMJSA-N -1 3 381.400 0.393 20 0 GCADHM CCOc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)ncn1 ZINC001571170808 952788146 /nfs/dbraw/zinc/78/81/46/952788146.db2.gz LQMILJREIFQYNJ-RYUDHWBXSA-N -1 3 381.400 0.487 20 0 GCADHM CCOc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)ncn1 ZINC001571170808 952788150 /nfs/dbraw/zinc/78/81/50/952788150.db2.gz LQMILJREIFQYNJ-RYUDHWBXSA-N -1 3 381.400 0.487 20 0 GCADHM CN(C[C@@H]1CCN1CCO[C@H]1CC1(F)F)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170653 952788599 /nfs/dbraw/zinc/78/85/99/952788599.db2.gz KDOGLQBSEGQDNK-AAEUAGOBSA-N -1 3 381.387 0.765 20 0 GCADHM CN(C[C@@H]1CCN1CCO[C@H]1CC1(F)F)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170653 952788607 /nfs/dbraw/zinc/78/86/07/952788607.db2.gz KDOGLQBSEGQDNK-AAEUAGOBSA-N -1 3 381.387 0.765 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)[C@@H]1C[C@H]1c1ccco1 ZINC001571171053 952790654 /nfs/dbraw/zinc/79/06/54/952790654.db2.gz MPYJMDUNPDVCCV-GBOPCIDUSA-N -1 3 381.396 0.324 20 0 GCADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)[C@@H]1C[C@H]1c1ccco1 ZINC001571171053 952790656 /nfs/dbraw/zinc/79/06/56/952790656.db2.gz MPYJMDUNPDVCCV-GBOPCIDUSA-N -1 3 381.396 0.324 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cccnn1 ZINC001571171079 952790958 /nfs/dbraw/zinc/79/09/58/952790958.db2.gz NQDKSPUPMVBSQT-SMDDNHRTSA-N -1 3 381.400 0.408 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cccnn1 ZINC001571171079 952790961 /nfs/dbraw/zinc/79/09/61/952790961.db2.gz NQDKSPUPMVBSQT-SMDDNHRTSA-N -1 3 381.400 0.408 20 0 GCADHM CCC(=O)N[C@H]1CC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n2ccnc21 ZINC001571171316 952792496 /nfs/dbraw/zinc/79/24/96/952792496.db2.gz QVUGYYRUZMLTDY-LBPRGKRZSA-N -1 3 381.400 0.214 20 0 GCADHM CCC(=O)N[C@H]1CC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n2ccnc21 ZINC001571171316 952792502 /nfs/dbraw/zinc/79/25/02/952792502.db2.gz QVUGYYRUZMLTDY-LBPRGKRZSA-N -1 3 381.400 0.214 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)co1 ZINC001571171640 952795102 /nfs/dbraw/zinc/79/51/02/952795102.db2.gz UPYDBEWMGYLVPC-UHFFFAOYSA-N -1 3 381.396 0.517 20 0 GCADHM NC(=O)c1cc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)co1 ZINC001571171640 952795104 /nfs/dbraw/zinc/79/51/04/952795104.db2.gz UPYDBEWMGYLVPC-UHFFFAOYSA-N -1 3 381.396 0.517 20 0 GCADHM COc1ccccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571171658 952795734 /nfs/dbraw/zinc/79/57/34/952795734.db2.gz VENWMQSNWABVCS-KGLIPLIRSA-N -1 3 381.396 0.250 20 0 GCADHM COc1ccccc1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571171658 952795738 /nfs/dbraw/zinc/79/57/38/952795738.db2.gz VENWMQSNWABVCS-KGLIPLIRSA-N -1 3 381.396 0.250 20 0 GCADHM O=C(COc1ccccc1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571171808 952798541 /nfs/dbraw/zinc/79/85/41/952798541.db2.gz XDDSNEMJZALTTM-CYBMUJFWSA-N -1 3 381.396 0.605 20 0 GCADHM O=C(COc1ccccc1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571171808 952798546 /nfs/dbraw/zinc/79/85/46/952798546.db2.gz XDDSNEMJZALTTM-CYBMUJFWSA-N -1 3 381.396 0.605 20 0 GCADHM COc1cncc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)n1 ZINC001571174653 952810930 /nfs/dbraw/zinc/81/09/30/952810930.db2.gz DIKLPSHEMPOURG-NSHDSACASA-N -1 3 381.400 0.695 20 0 GCADHM COc1cncc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)n1 ZINC001571174653 952810938 /nfs/dbraw/zinc/81/09/38/952810938.db2.gz DIKLPSHEMPOURG-NSHDSACASA-N -1 3 381.400 0.695 20 0 GCADHM COc1nccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@@H]2C)n1 ZINC001571174710 952812389 /nfs/dbraw/zinc/81/23/89/952812389.db2.gz FZTHISWHWFIITA-CMPLNLGQSA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@@H]2C)n1 ZINC001571174710 952812395 /nfs/dbraw/zinc/81/23/95/952812395.db2.gz FZTHISWHWFIITA-CMPLNLGQSA-N -1 3 381.400 0.775 20 0 GCADHM COc1ccc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)nn1 ZINC001571174695 952812425 /nfs/dbraw/zinc/81/24/25/952812425.db2.gz FJAOMEXNTXKHCL-LLVKDONJSA-N -1 3 381.400 0.777 20 0 GCADHM COc1ccc(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)nn1 ZINC001571174695 952812430 /nfs/dbraw/zinc/81/24/30/952812430.db2.gz FJAOMEXNTXKHCL-LLVKDONJSA-N -1 3 381.400 0.777 20 0 GCADHM COc1nccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@H]2C)n1 ZINC001571174712 952812459 /nfs/dbraw/zinc/81/24/59/952812459.db2.gz FZTHISWHWFIITA-PWSUYJOCSA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@H]2C)n1 ZINC001571174712 952812466 /nfs/dbraw/zinc/81/24/66/952812466.db2.gz FZTHISWHWFIITA-PWSUYJOCSA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571174701 952812865 /nfs/dbraw/zinc/81/28/65/952812865.db2.gz FRIYPAXFCVEKFL-GFCCVEGCSA-N -1 3 381.400 0.411 20 0 GCADHM COc1nccc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571174701 952812872 /nfs/dbraw/zinc/81/28/72/952812872.db2.gz FRIYPAXFCVEKFL-GFCCVEGCSA-N -1 3 381.400 0.411 20 0 GCADHM COc1cnc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)nc1 ZINC001571174757 952813700 /nfs/dbraw/zinc/81/37/00/952813700.db2.gz HKHUQEQDCZMQQF-LLVKDONJSA-N -1 3 381.400 0.635 20 0 GCADHM COc1cnc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)nc1 ZINC001571174757 952813707 /nfs/dbraw/zinc/81/37/07/952813707.db2.gz HKHUQEQDCZMQQF-LLVKDONJSA-N -1 3 381.400 0.635 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)cnn1 ZINC001571174786 952813741 /nfs/dbraw/zinc/81/37/41/952813741.db2.gz ICJPGPXTRFODCF-GXFFZTMASA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)cnn1 ZINC001571174786 952813747 /nfs/dbraw/zinc/81/37/47/952813747.db2.gz ICJPGPXTRFODCF-GXFFZTMASA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CNC(=O)c3ncccc3O)C2)n1 ZINC001571174794 952813860 /nfs/dbraw/zinc/81/38/60/952813860.db2.gz IITGWGRKIOIHHU-LLVKDONJSA-N -1 3 381.400 0.322 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)cnn1 ZINC001571174785 952814134 /nfs/dbraw/zinc/81/41/34/952814134.db2.gz ICJPGPXTRFODCF-GWCFXTLKSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)cnn1 ZINC001571174785 952814136 /nfs/dbraw/zinc/81/41/36/952814136.db2.gz ICJPGPXTRFODCF-GWCFXTLKSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571174845 952815347 /nfs/dbraw/zinc/81/53/47/952815347.db2.gz JXPOWTCMZQVSSH-NSHDSACASA-N -1 3 381.400 0.640 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571174845 952815350 /nfs/dbraw/zinc/81/53/50/952815350.db2.gz JXPOWTCMZQVSSH-NSHDSACASA-N -1 3 381.400 0.640 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571174844 952816133 /nfs/dbraw/zinc/81/61/33/952816133.db2.gz JXPOWTCMZQVSSH-LLVKDONJSA-N -1 3 381.400 0.640 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCN(C(=O)c3ccc(=O)[nH]n3)C2)n1 ZINC001571174844 952816138 /nfs/dbraw/zinc/81/61/38/952816138.db2.gz JXPOWTCMZQVSSH-LLVKDONJSA-N -1 3 381.400 0.640 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)C2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cnn1 ZINC001571174862 952816243 /nfs/dbraw/zinc/81/62/43/952816243.db2.gz KTIDDJXXIKHHIZ-SNVBAGLBSA-N -1 3 381.400 0.184 20 0 GCADHM Cc1cc(C(=O)N[C@H](C)C2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cnn1 ZINC001571174862 952816249 /nfs/dbraw/zinc/81/62/49/952816249.db2.gz KTIDDJXXIKHHIZ-SNVBAGLBSA-N -1 3 381.400 0.184 20 0 GCADHM COc1nccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571175144 952818239 /nfs/dbraw/zinc/81/82/39/952818239.db2.gz QQWQHZYCKWLFQJ-NSHDSACASA-N -1 3 381.400 0.635 20 0 GCADHM COc1nccc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571175144 952818243 /nfs/dbraw/zinc/81/82/43/952818243.db2.gz QQWQHZYCKWLFQJ-NSHDSACASA-N -1 3 381.400 0.635 20 0 GCADHM O=C(NCC1N=NC(=O)N1C1CC1)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001571175279 952818964 /nfs/dbraw/zinc/81/89/64/952818964.db2.gz AEKHFHDNDFENRC-LBPRGKRZSA-N -1 3 381.400 0.465 20 0 GCADHM COc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)ncn1 ZINC001571175286 952819661 /nfs/dbraw/zinc/81/96/61/952819661.db2.gz RQZVLOCWLDNXEB-KLPPZKSPSA-N -1 3 381.400 0.681 20 0 GCADHM COc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)ncn1 ZINC001571175286 952819669 /nfs/dbraw/zinc/81/96/69/952819669.db2.gz RQZVLOCWLDNXEB-KLPPZKSPSA-N -1 3 381.400 0.681 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571175306 952820005 /nfs/dbraw/zinc/82/00/05/952820005.db2.gz RZVGBDJWVFUZKI-OSMZGAPFSA-N -1 3 381.400 0.402 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571175306 952820006 /nfs/dbraw/zinc/82/00/06/952820006.db2.gz RZVGBDJWVFUZKI-OSMZGAPFSA-N -1 3 381.400 0.402 20 0 GCADHM COc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)[C@@H]2C)nn1 ZINC001571175275 952820063 /nfs/dbraw/zinc/82/00/63/952820063.db2.gz RLZDFCVIYRUWIL-CMPLNLGQSA-N -1 3 381.400 0.775 20 0 GCADHM COc1ccc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)[C@@H]2C)nn1 ZINC001571175275 952820067 /nfs/dbraw/zinc/82/00/67/952820067.db2.gz RLZDFCVIYRUWIL-CMPLNLGQSA-N -1 3 381.400 0.775 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnccn1 ZINC001571175340 952821244 /nfs/dbraw/zinc/82/12/44/952821244.db2.gz AYFXEQKOCFLSGC-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnccn1 ZINC001571175340 952821248 /nfs/dbraw/zinc/82/12/48/952821248.db2.gz AYFXEQKOCFLSGC-LLVKDONJSA-N -1 3 381.400 0.267 20 0 GCADHM COc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)nn1 ZINC001571175593 952822278 /nfs/dbraw/zinc/82/22/78/952822278.db2.gz WFGMKMCNXOQDTR-NSHDSACASA-N -1 3 381.400 0.695 20 0 GCADHM COc1ccc(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)nn1 ZINC001571175593 952822284 /nfs/dbraw/zinc/82/22/84/952822284.db2.gz WFGMKMCNXOQDTR-NSHDSACASA-N -1 3 381.400 0.695 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ncn1 ZINC001571175566 952822315 /nfs/dbraw/zinc/82/23/15/952822315.db2.gz VCXALEQQQOJWKT-YMTOWFKASA-N -1 3 381.400 0.184 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](C)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ncn1 ZINC001571175566 952822319 /nfs/dbraw/zinc/82/23/19/952822319.db2.gz VCXALEQQQOJWKT-YMTOWFKASA-N -1 3 381.400 0.184 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cccnn1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571175699 952824750 /nfs/dbraw/zinc/82/47/50/952824750.db2.gz FMIQYJJROQZBDW-VXGBXAGGSA-N -1 3 381.400 0.456 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1cccnn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571175699 952824756 /nfs/dbraw/zinc/82/47/56/952824756.db2.gz FMIQYJJROQZBDW-VXGBXAGGSA-N -1 3 381.400 0.456 20 0 GCADHM O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1O ZINC001571175679 952825213 /nfs/dbraw/zinc/82/52/13/952825213.db2.gz DZZMLDBQECMNAI-QWRGUYRKSA-N -1 3 381.400 0.768 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)n1 ZINC001571175767 952826338 /nfs/dbraw/zinc/82/63/38/952826338.db2.gz YZHWGPWHFDWNIU-LLVKDONJSA-N -1 3 381.400 0.006 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)c3c[nH]c(C(N)=O)c3)C2)n1 ZINC001571175767 952826343 /nfs/dbraw/zinc/82/63/43/952826343.db2.gz YZHWGPWHFDWNIU-LLVKDONJSA-N -1 3 381.400 0.006 20 0 GCADHM Cc1nnccc1C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571176089 952827671 /nfs/dbraw/zinc/82/76/71/952827671.db2.gz KRPXFUDUFIWNGS-LBPRGKRZSA-N -1 3 381.400 0.280 20 0 GCADHM Cc1nnccc1C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571176089 952827674 /nfs/dbraw/zinc/82/76/74/952827674.db2.gz KRPXFUDUFIWNGS-LBPRGKRZSA-N -1 3 381.400 0.280 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571178243 952837052 /nfs/dbraw/zinc/83/70/52/952837052.db2.gz CKLINHOIVVDLEF-KRWDZBQOSA-N -1 3 381.400 0.131 20 0 GCADHM O=C(c1ccnnc1)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571178243 952837056 /nfs/dbraw/zinc/83/70/56/952837056.db2.gz CKLINHOIVVDLEF-KRWDZBQOSA-N -1 3 381.400 0.131 20 0 GCADHM O=C(c1cncnc1)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571178421 952840150 /nfs/dbraw/zinc/84/01/50/952840150.db2.gz IEAMPWFKPKRWML-QGZVFWFLSA-N -1 3 381.400 0.131 20 0 GCADHM O=C(c1cncnc1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571178421 952840154 /nfs/dbraw/zinc/84/01/54/952840154.db2.gz IEAMPWFKPKRWML-QGZVFWFLSA-N -1 3 381.400 0.131 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@]2(C1)CN(c1ncccn1)CCO2 ZINC001571178564 952842879 /nfs/dbraw/zinc/84/28/79/952842879.db2.gz NCHWRMHCGWMCPN-KRWDZBQOSA-N -1 3 381.400 0.106 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@]2(C1)CN(c1ncccn1)CCO2 ZINC001571178564 952842887 /nfs/dbraw/zinc/84/28/87/952842887.db2.gz NCHWRMHCGWMCPN-KRWDZBQOSA-N -1 3 381.400 0.106 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 ZINC001571178775 952847470 /nfs/dbraw/zinc/84/74/70/952847470.db2.gz UAECIKYRFLAKOZ-GFCCVEGCSA-N -1 3 381.400 0.489 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001571179405 952852939 /nfs/dbraw/zinc/85/29/39/952852939.db2.gz DEULGWLSUCQRNI-TZMCWYRMSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001571179405 952852943 /nfs/dbraw/zinc/85/29/43/952852943.db2.gz DEULGWLSUCQRNI-TZMCWYRMSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)c1cnn(C)c1 ZINC001571179404 952853288 /nfs/dbraw/zinc/85/32/88/952853288.db2.gz DEULGWLSUCQRNI-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)c1cnn(C)c1 ZINC001571179404 952853294 /nfs/dbraw/zinc/85/32/94/952853294.db2.gz DEULGWLSUCQRNI-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM O=C(NCC1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571181350 952862681 /nfs/dbraw/zinc/86/26/81/952862681.db2.gz USQLCMCIFWHFOZ-SHRQTPSBSA-N -1 3 381.440 0.992 20 0 GCADHM O=C(NCC1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571181350 952862687 /nfs/dbraw/zinc/86/26/87/952862687.db2.gz USQLCMCIFWHFOZ-SHRQTPSBSA-N -1 3 381.440 0.992 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571181436 952864844 /nfs/dbraw/zinc/86/48/44/952864844.db2.gz XFGUHXFRXMYVKE-IMNPFHOJSA-N -1 3 381.440 0.581 20 0 GCADHM O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571181436 952864849 /nfs/dbraw/zinc/86/48/49/952864849.db2.gz XFGUHXFRXMYVKE-IMNPFHOJSA-N -1 3 381.440 0.581 20 0 GCADHM C[C@@H](c1ccccc1)[C@H](O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571183032 952872045 /nfs/dbraw/zinc/87/20/45/952872045.db2.gz MGIDZEBHVINRCY-YVEFUNNKSA-N -1 3 381.440 0.773 20 0 GCADHM C[C@@H](c1ccccc1)[C@H](O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571183032 952872050 /nfs/dbraw/zinc/87/20/50/952872050.db2.gz MGIDZEBHVINRCY-YVEFUNNKSA-N -1 3 381.440 0.773 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571183620 952880753 /nfs/dbraw/zinc/88/07/53/952880753.db2.gz FWJMWFJOEVRSAB-CQSZACIVSA-N -1 3 381.444 0.977 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571183620 952880759 /nfs/dbraw/zinc/88/07/59/952880759.db2.gz FWJMWFJOEVRSAB-CQSZACIVSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571183803 952883332 /nfs/dbraw/zinc/88/33/32/952883332.db2.gz JSZMDWBDIPLWDY-STQMWFEESA-N -1 3 381.444 0.744 20 0 GCADHM C[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571183803 952883344 /nfs/dbraw/zinc/88/33/44/952883344.db2.gz JSZMDWBDIPLWDY-STQMWFEESA-N -1 3 381.444 0.744 20 0 GCADHM CCc1nn(C)cc1C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571184099 952887725 /nfs/dbraw/zinc/88/77/25/952887725.db2.gz QMRNVZWDJHZQHU-SFHVURJKSA-N -1 3 381.444 0.956 20 0 GCADHM CCc1nn(C)cc1C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571184099 952887734 /nfs/dbraw/zinc/88/77/34/952887734.db2.gz QMRNVZWDJHZQHU-SFHVURJKSA-N -1 3 381.444 0.956 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccn(C)n2)CC[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571184431 952893810 /nfs/dbraw/zinc/89/38/10/952893810.db2.gz ZFXZHAUGTDWELT-IUODEOHRSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccn(C)n2)CC[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571184431 952893816 /nfs/dbraw/zinc/89/38/16/952893816.db2.gz ZFXZHAUGTDWELT-IUODEOHRSA-N -1 3 381.444 0.887 20 0 GCADHM Cc1c(CC(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)[C@H]2C)cnn1C ZINC001571184824 952896189 /nfs/dbraw/zinc/89/61/89/952896189.db2.gz DVJHOFWDBIMGFG-DOMZBBRYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1c(CC(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)[C@H]2C)cnn1C ZINC001571184824 952896198 /nfs/dbraw/zinc/89/61/98/952896198.db2.gz DVJHOFWDBIMGFG-DOMZBBRYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1c(CC(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)[C@H]2C)cnn1C ZINC001571184825 952897164 /nfs/dbraw/zinc/89/71/64/952897164.db2.gz DVJHOFWDBIMGFG-IUODEOHRSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1c(CC(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)[C@H]2C)cnn1C ZINC001571184825 952897167 /nfs/dbraw/zinc/89/71/67/952897167.db2.gz DVJHOFWDBIMGFG-IUODEOHRSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1c(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571185446 952902046 /nfs/dbraw/zinc/90/20/46/952902046.db2.gz LOMYDOSZKAUEET-IAQYHMDHSA-N -1 3 381.444 0.805 20 0 GCADHM Cc1c(CC(=O)N2C[C@@H](C)[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571185446 952902050 /nfs/dbraw/zinc/90/20/50/952902050.db2.gz LOMYDOSZKAUEET-IAQYHMDHSA-N -1 3 381.444 0.805 20 0 GCADHM CN(C[C@H]1CCN(C(=O)Cc2cncn2C)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571185609 952903473 /nfs/dbraw/zinc/90/34/73/952903473.db2.gz NYGCGZFOWFOZJY-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM CN(C[C@H]1CCN(C(=O)Cc2cncn2C)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571185609 952903475 /nfs/dbraw/zinc/90/34/75/952903475.db2.gz NYGCGZFOWFOZJY-CYBMUJFWSA-N -1 3 381.444 0.523 20 0 GCADHM Cc1cn(C)nc1C(=O)N1CC[C@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571188121 952910938 /nfs/dbraw/zinc/91/09/38/952910938.db2.gz FUUSRLDFUCKVCI-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1cn(C)nc1C(=O)N1CC[C@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571188121 952910941 /nfs/dbraw/zinc/91/09/41/952910941.db2.gz FUUSRLDFUCKVCI-ZDUSSCGKSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1ccnn1CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571188191 952912121 /nfs/dbraw/zinc/91/21/21/952912121.db2.gz HSOPXFQSMPEQIK-HNNXBMFYSA-N -1 3 381.444 0.942 20 0 GCADHM Cc1ccnn1CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571188191 952912124 /nfs/dbraw/zinc/91/21/24/952912124.db2.gz HSOPXFQSMPEQIK-HNNXBMFYSA-N -1 3 381.444 0.942 20 0 GCADHM Cn1ccnc1CN1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CC2 ZINC001571188820 952920235 /nfs/dbraw/zinc/92/02/35/952920235.db2.gz JWOJZBYZAQVDPM-UHFFFAOYSA-N -1 3 381.444 0.667 20 0 GCADHM Cn1ccnc1CN1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2 ZINC001571188820 952920238 /nfs/dbraw/zinc/92/02/38/952920238.db2.gz JWOJZBYZAQVDPM-UHFFFAOYSA-N -1 3 381.444 0.667 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)[C@H](C)c3cnn(C)c3)C2)n1 ZINC001571188886 952921550 /nfs/dbraw/zinc/92/15/50/952921550.db2.gz OVHQSYOHOFYHKV-OCCSQVGLSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)[C@H](C)c3cnn(C)c3)C2)n1 ZINC001571188886 952921552 /nfs/dbraw/zinc/92/15/52/952921552.db2.gz OVHQSYOHOFYHKV-OCCSQVGLSA-N -1 3 381.444 0.802 20 0 GCADHM Cc1nsc(NC[C@@H]2CN(C(=O)CC(C)(C)O)CCO2)c1-c1nnn[n-]1 ZINC001571188963 952922661 /nfs/dbraw/zinc/92/26/61/952922661.db2.gz KVOWYZMRJNILRY-SNVBAGLBSA-N -1 3 381.462 0.432 20 0 GCADHM Cc1nn(C)cc1CC(=O)N(C)C1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571189129 952925271 /nfs/dbraw/zinc/92/52/71/952925271.db2.gz MUCWMUAKWZWHRN-UHFFFAOYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nn(C)cc1CC(=O)N(C)C1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571189129 952925281 /nfs/dbraw/zinc/92/52/81/952925281.db2.gz MUCWMUAKWZWHRN-UHFFFAOYSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001571189334 952927722 /nfs/dbraw/zinc/92/77/22/952927722.db2.gz PVYKRHOHDWWOON-CYBMUJFWSA-N -1 3 381.444 0.867 20 0 GCADHM Cc1nc(N2C[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001571189334 952927726 /nfs/dbraw/zinc/92/77/26/952927726.db2.gz PVYKRHOHDWWOON-CYBMUJFWSA-N -1 3 381.444 0.867 20 0 GCADHM Cc1nc(NC[C@H]2C[C@H](NC(=O)Cc3ccn(C)n3)C2)ccc1-c1nnn[n-]1 ZINC001571189885 952936407 /nfs/dbraw/zinc/93/64/07/952936407.db2.gz YIXPSVBFMMBBAI-MQMHXKEQSA-N -1 3 381.444 0.853 20 0 GCADHM Cc1nc(NC[C@H]2C[C@H](NC(=O)Cc3ccn(C)n3)C2)ccc1-c1nn[n-]n1 ZINC001571189885 952936411 /nfs/dbraw/zinc/93/64/11/952936411.db2.gz YIXPSVBFMMBBAI-MQMHXKEQSA-N -1 3 381.444 0.853 20 0 GCADHM O=C(N[C@H](CO)[C@@H]1CCOC1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001571192850 952949512 /nfs/dbraw/zinc/94/95/12/952949512.db2.gz XHSNLWGIWSLNLJ-PRHODGIISA-N -1 3 382.218 0.756 20 0 GCADHM O=C(N[C@H](CO)[C@@H]1CCOC1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001571192850 952949515 /nfs/dbraw/zinc/94/95/15/952949515.db2.gz XHSNLWGIWSLNLJ-PRHODGIISA-N -1 3 382.218 0.756 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001571193909 952954452 /nfs/dbraw/zinc/95/44/52/952954452.db2.gz ATXHIOQCXLOVQZ-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001571193909 952954458 /nfs/dbraw/zinc/95/44/58/952954458.db2.gz ATXHIOQCXLOVQZ-SKDRFNHKSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571193899 952954555 /nfs/dbraw/zinc/95/45/55/952954555.db2.gz AOOBPXCMNSYOMH-KOLCDFICSA-N -1 3 382.384 0.526 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571193899 952954557 /nfs/dbraw/zinc/95/45/57/952954557.db2.gz AOOBPXCMNSYOMH-KOLCDFICSA-N -1 3 382.384 0.526 20 0 GCADHM O=C(NC1CC(CNC(=O)c2ccc(=O)[nH]c2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571194015 952955860 /nfs/dbraw/zinc/95/58/60/952955860.db2.gz DXYZBLFUXZZHMS-UHFFFAOYSA-N -1 3 382.384 0.234 20 0 GCADHM O=C(NC1CC(CNC(=O)c2ccc(=O)[nH]c2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571194015 952955864 /nfs/dbraw/zinc/95/58/64/952955864.db2.gz DXYZBLFUXZZHMS-UHFFFAOYSA-N -1 3 382.384 0.234 20 0 GCADHM Cc1nc[nH]c(=O)c1C(=O)NC[C@H]1C[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571194162 952958374 /nfs/dbraw/zinc/95/83/74/952958374.db2.gz JHZZOBLQNJRVNS-AOOOYVTPSA-N -1 3 382.388 0.081 20 0 GCADHM Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571194210 952959358 /nfs/dbraw/zinc/95/93/58/952959358.db2.gz JBNGZAZOAKOMLO-ICCXJUOJSA-N -1 3 382.384 0.667 20 0 GCADHM Cc1cnoc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571194210 952959360 /nfs/dbraw/zinc/95/93/60/952959360.db2.gz JBNGZAZOAKOMLO-ICCXJUOJSA-N -1 3 382.384 0.667 20 0 GCADHM CN(C(=O)c1ccc(C(N)=O)o1)[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571194373 952961841 /nfs/dbraw/zinc/96/18/41/952961841.db2.gz LDHOYJZWQMAQPZ-JTQLQIEISA-N -1 3 382.384 0.305 20 0 GCADHM CN(C(=O)c1ccc(C(N)=O)o1)[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571194373 952961852 /nfs/dbraw/zinc/96/18/52/952961852.db2.gz LDHOYJZWQMAQPZ-JTQLQIEISA-N -1 3 382.384 0.305 20 0 GCADHM CN(C(=O)c1ccc(C(N)=O)o1)[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571194374 952961980 /nfs/dbraw/zinc/96/19/80/952961980.db2.gz LDHOYJZWQMAQPZ-SNVBAGLBSA-N -1 3 382.384 0.305 20 0 GCADHM CN(C(=O)c1ccc(C(N)=O)o1)[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571194374 952961989 /nfs/dbraw/zinc/96/19/89/952961989.db2.gz LDHOYJZWQMAQPZ-SNVBAGLBSA-N -1 3 382.384 0.305 20 0 GCADHM NC(=O)c1cc(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)co1 ZINC001571194438 952963137 /nfs/dbraw/zinc/96/31/37/952963137.db2.gz MSDJHMBMZNQJRX-HOMQSWHASA-N -1 3 382.384 0.574 20 0 GCADHM NC(=O)c1cc(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)co1 ZINC001571194438 952963140 /nfs/dbraw/zinc/96/31/40/952963140.db2.gz MSDJHMBMZNQJRX-HOMQSWHASA-N -1 3 382.384 0.574 20 0 GCADHM CN(C[C@H]1CCN1C(=O)c1cccc(=O)[nH]1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194627 952965875 /nfs/dbraw/zinc/96/58/75/952965875.db2.gz PDSPOFNTMAHEIL-LLVKDONJSA-N -1 3 382.384 0.282 20 0 GCADHM CN(C[C@H]1CCN1C(=O)c1cccc(=O)[nH]1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194627 952965878 /nfs/dbraw/zinc/96/58/78/952965878.db2.gz PDSPOFNTMAHEIL-LLVKDONJSA-N -1 3 382.384 0.282 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cc[nH]c(=O)c1 ZINC001571194688 952966954 /nfs/dbraw/zinc/96/69/54/952966954.db2.gz QZKBTRJADXXBEI-JTQLQIEISA-N -1 3 382.384 0.188 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cc[nH]c(=O)c1 ZINC001571194688 952966957 /nfs/dbraw/zinc/96/69/57/952966957.db2.gz QZKBTRJADXXBEI-JTQLQIEISA-N -1 3 382.384 0.188 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571194884 952969171 /nfs/dbraw/zinc/96/91/71/952969171.db2.gz UXBWJTBYIOBDGD-VIFPVBQESA-N -1 3 382.384 0.186 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001571194884 952969176 /nfs/dbraw/zinc/96/91/76/952969176.db2.gz UXBWJTBYIOBDGD-VIFPVBQESA-N -1 3 382.384 0.186 20 0 GCADHM C[C@@]1(CNC(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)CCC(=O)N1 ZINC001571194869 952969955 /nfs/dbraw/zinc/96/99/55/952969955.db2.gz ULRMBEJLJUKFGM-INIZCTEOSA-N -1 3 382.388 0.238 20 0 GCADHM C[C@@]1(CNC(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)CCC(=O)N1 ZINC001571194869 952969960 /nfs/dbraw/zinc/96/99/60/952969960.db2.gz ULRMBEJLJUKFGM-INIZCTEOSA-N -1 3 382.388 0.238 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2)c1cocn1 ZINC001571195107 952973487 /nfs/dbraw/zinc/97/34/87/952973487.db2.gz YTNUHCAFPODIMM-DLOVCJGASA-N -1 3 382.384 0.606 20 0 GCADHM O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2)c1cocn1 ZINC001571195107 952973493 /nfs/dbraw/zinc/97/34/93/952973493.db2.gz YTNUHCAFPODIMM-DLOVCJGASA-N -1 3 382.384 0.606 20 0 GCADHM COC(=O)[C@@H](Cc1ccccc1O)NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001571195125 952973511 /nfs/dbraw/zinc/97/35/11/952973511.db2.gz ZRMRCPWFBGJUFZ-CQSZACIVSA-N -1 3 382.380 0.790 20 0 GCADHM COC(=O)[C@@H](Cc1ccccc1O)NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001571195125 952973515 /nfs/dbraw/zinc/97/35/15/952973515.db2.gz ZRMRCPWFBGJUFZ-CQSZACIVSA-N -1 3 382.380 0.790 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571195085 952973658 /nfs/dbraw/zinc/97/36/58/952973658.db2.gz YARCGOKJUAWGED-KOLCDFICSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571195085 952973660 /nfs/dbraw/zinc/97/36/60/952973660.db2.gz YARCGOKJUAWGED-KOLCDFICSA-N -1 3 382.384 0.328 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2)c1cnco1 ZINC001571195059 952973721 /nfs/dbraw/zinc/97/37/21/952973721.db2.gz XGXDRTYRPGVJGV-GTNSWQLSSA-N -1 3 382.384 0.608 20 0 GCADHM O=C(N[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2)c1cnco1 ZINC001571195059 952973727 /nfs/dbraw/zinc/97/37/27/952973727.db2.gz XGXDRTYRPGVJGV-GTNSWQLSSA-N -1 3 382.384 0.608 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571195118 952973802 /nfs/dbraw/zinc/97/38/02/952973802.db2.gz ZKDVYEIOSDPXBP-MGCOHNPYSA-N -1 3 382.384 0.234 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571195118 952973807 /nfs/dbraw/zinc/97/38/07/952973807.db2.gz ZKDVYEIOSDPXBP-MGCOHNPYSA-N -1 3 382.384 0.234 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2conc2C2CC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571195134 952974173 /nfs/dbraw/zinc/97/41/73/952974173.db2.gz ZWAIFXFUKHCGBO-XYPYZODXSA-N -1 3 382.384 0.751 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)c2conc2C2CC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571195134 952974176 /nfs/dbraw/zinc/97/41/76/952974176.db2.gz ZWAIFXFUKHCGBO-XYPYZODXSA-N -1 3 382.384 0.751 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571195084 952974181 /nfs/dbraw/zinc/97/41/81/952974181.db2.gz YARCGOKJUAWGED-GXSJLCMTSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cccc(=O)[nH]1 ZINC001571195084 952974182 /nfs/dbraw/zinc/97/41/82/952974182.db2.gz YARCGOKJUAWGED-GXSJLCMTSA-N -1 3 382.384 0.328 20 0 GCADHM Cc1ccnc(C(=O)NCC2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571195511 952976822 /nfs/dbraw/zinc/97/68/22/952976822.db2.gz ATQPOTAWFYNPGA-UHFFFAOYSA-N -1 3 382.403 0.966 20 0 GCADHM Cc1ccnc(C(=O)NCC2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571195511 952976827 /nfs/dbraw/zinc/97/68/27/952976827.db2.gz ATQPOTAWFYNPGA-UHFFFAOYSA-N -1 3 382.403 0.966 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ccn1C ZINC001571198555 952991177 /nfs/dbraw/zinc/99/11/77/952991177.db2.gz CBESKFAUKJWXGU-ZDUSSCGKSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1c(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ccn1C ZINC001571198555 952991180 /nfs/dbraw/zinc/99/11/80/952991180.db2.gz CBESKFAUKJWXGU-ZDUSSCGKSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001571199063 952995999 /nfs/dbraw/zinc/99/59/99/952995999.db2.gz KTEUYVNWLSZNFP-HUUCEWRRSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001571199063 952996001 /nfs/dbraw/zinc/99/60/01/952996001.db2.gz KTEUYVNWLSZNFP-HUUCEWRRSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1O ZINC001571199061 952996149 /nfs/dbraw/zinc/99/61/49/952996149.db2.gz KTEUYVNWLSZNFP-GJZGRUSLSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1c[nH]cc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001571199061 952996155 /nfs/dbraw/zinc/99/61/55/952996155.db2.gz KTEUYVNWLSZNFP-GJZGRUSLSA-N -1 3 382.428 0.576 20 0 GCADHM Cc1c(C(=O)NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)ccn1C ZINC001571199078 952996694 /nfs/dbraw/zinc/99/66/94/952996694.db2.gz LBVLHZCTJAWNEY-UHFFFAOYSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1c(C(=O)NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)ccn1C ZINC001571199078 952996698 /nfs/dbraw/zinc/99/66/98/952996698.db2.gz LBVLHZCTJAWNEY-UHFFFAOYSA-N -1 3 382.428 0.876 20 0 GCADHM COc1c(C(=O)N2CCN(Cc3cccc(-c4nnn[n-]4)c3)CC2)cnn1C ZINC001571199409 952999452 /nfs/dbraw/zinc/99/94/52/952999452.db2.gz PWFZGWHZDKJWCP-UHFFFAOYSA-N -1 3 382.428 0.567 20 0 GCADHM COc1c(C(=O)N2CCN(Cc3cccc(-c4nn[n-]n4)c3)CC2)cnn1C ZINC001571199409 952999459 /nfs/dbraw/zinc/99/94/59/952999459.db2.gz PWFZGWHZDKJWCP-UHFFFAOYSA-N -1 3 382.428 0.567 20 0 GCADHM Cc1c(C(=O)N2CCO[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)ccn1C ZINC001571199536 953000237 /nfs/dbraw/zinc/00/02/37/953000237.db2.gz UPMVTKFGZFVCQY-CQSZACIVSA-N -1 3 382.428 0.862 20 0 GCADHM Cc1c(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)ccn1C ZINC001571199536 953000241 /nfs/dbraw/zinc/00/02/41/953000241.db2.gz UPMVTKFGZFVCQY-CQSZACIVSA-N -1 3 382.428 0.862 20 0 GCADHM Cc1nc[nH]c1C(=O)NC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001571199592 953001299 /nfs/dbraw/zinc/00/12/99/953001299.db2.gz WDSBQLIVPIBYOO-HNNXBMFYSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1nc[nH]c1C(=O)NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001571199592 953001303 /nfs/dbraw/zinc/00/13/03/953001303.db2.gz WDSBQLIVPIBYOO-HNNXBMFYSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)ccn1C ZINC001571199611 953001733 /nfs/dbraw/zinc/00/17/33/953001733.db2.gz WNLJIESWYMACEM-HUUCEWRRSA-N -1 3 382.428 0.278 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)ccn1C ZINC001571199611 953001737 /nfs/dbraw/zinc/00/17/37/953001737.db2.gz WNLJIESWYMACEM-HUUCEWRRSA-N -1 3 382.428 0.278 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC(=O)N2)n1 ZINC001571200193 953007851 /nfs/dbraw/zinc/00/78/51/953007851.db2.gz BRHRSLWURVHKRU-SGMGOOAPSA-N -1 3 382.428 0.028 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCCC(=O)N2)n1 ZINC001571200193 953007852 /nfs/dbraw/zinc/00/78/52/953007852.db2.gz BRHRSLWURVHKRU-SGMGOOAPSA-N -1 3 382.428 0.028 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1C ZINC001571200520 953010052 /nfs/dbraw/zinc/01/00/52/953010052.db2.gz CUQIOOOUMHOEPV-GFCCVEGCSA-N -1 3 382.428 0.734 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1C ZINC001571200520 953010057 /nfs/dbraw/zinc/01/00/57/953010057.db2.gz CUQIOOOUMHOEPV-GFCCVEGCSA-N -1 3 382.428 0.734 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571201428 953017259 /nfs/dbraw/zinc/01/72/59/953017259.db2.gz PWKCCRDPNXBLNP-RISCZKNCSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccn(C)c2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571201428 953017265 /nfs/dbraw/zinc/01/72/65/953017265.db2.gz PWKCCRDPNXBLNP-RISCZKNCSA-N -1 3 382.428 0.956 20 0 GCADHM Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1C ZINC001571201367 953018012 /nfs/dbraw/zinc/01/80/12/953018012.db2.gz LDPOWBPCETZKRZ-LLVKDONJSA-N -1 3 382.428 0.732 20 0 GCADHM Cc1ccc(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1C ZINC001571201367 953018018 /nfs/dbraw/zinc/01/80/18/953018018.db2.gz LDPOWBPCETZKRZ-LLVKDONJSA-N -1 3 382.428 0.732 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571202141 953022654 /nfs/dbraw/zinc/02/26/54/953022654.db2.gz REAJJZZDZUBBNV-NWDGAFQWSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571202141 953022659 /nfs/dbraw/zinc/02/26/59/953022659.db2.gz REAJJZZDZUBBNV-NWDGAFQWSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccc1 ZINC001571202130 953023388 /nfs/dbraw/zinc/02/33/88/953023388.db2.gz VQPLGVKDIREAOF-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccc1 ZINC001571202130 953023392 /nfs/dbraw/zinc/02/33/92/953023392.db2.gz VQPLGVKDIREAOF-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC001571202457 953024959 /nfs/dbraw/zinc/02/49/59/953024959.db2.gz XMTSDCYJNZDBFS-HUUCEWRRSA-N -1 3 382.428 0.464 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@H]2CN(C)c2ncccc2-c2nnn[n-]2)nn1 ZINC001571204589 953029818 /nfs/dbraw/zinc/02/98/18/953029818.db2.gz BIPMYSAHALDWNK-LBPRGKRZSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1cc(C(=O)N2CCC[C@H]2CN(C)c2ncccc2-c2nn[n-]n2)nn1 ZINC001571204589 953029822 /nfs/dbraw/zinc/02/98/22/953029822.db2.gz BIPMYSAHALDWNK-LBPRGKRZSA-N -1 3 382.432 0.614 20 0 GCADHM CCc1nc(N[C@H]2CCN(C(=O)Cn3ccnc3)[C@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571204572 953030236 /nfs/dbraw/zinc/03/02/36/953030236.db2.gz BGCPAIGABGPOTD-RYUDHWBXSA-N -1 3 382.432 0.517 20 0 GCADHM CCc1nc(N[C@@H]2CCN(C(=O)Cn3ccnc3)[C@@H]2C)cc(-c2nnn[n-]2)n1 ZINC001571204573 953030280 /nfs/dbraw/zinc/03/02/80/953030280.db2.gz BGCPAIGABGPOTD-VXGBXAGGSA-N -1 3 382.432 0.517 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571204963 953035059 /nfs/dbraw/zinc/03/50/59/953035059.db2.gz DZTQSDMJDVOSFD-BFHYXJOUSA-N -1 3 382.428 0.110 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571204963 953035061 /nfs/dbraw/zinc/03/50/61/953035061.db2.gz DZTQSDMJDVOSFD-BFHYXJOUSA-N -1 3 382.428 0.110 20 0 GCADHM Cn1cccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571205095 953035302 /nfs/dbraw/zinc/03/53/02/953035302.db2.gz GLEDDPUDJDIHEV-WCQYABFASA-N -1 3 382.428 0.862 20 0 GCADHM Cn1cccc1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571205095 953035306 /nfs/dbraw/zinc/03/53/06/953035306.db2.gz GLEDDPUDJDIHEV-WCQYABFASA-N -1 3 382.428 0.862 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571205155 953036330 /nfs/dbraw/zinc/03/63/30/953036330.db2.gz GRRZCAIALQYTFR-AAEUAGOBSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571205155 953036334 /nfs/dbraw/zinc/03/63/34/953036334.db2.gz GRRZCAIALQYTFR-AAEUAGOBSA-N -1 3 382.432 0.836 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571205172 953036428 /nfs/dbraw/zinc/03/64/28/953036428.db2.gz GVFPCIBPLQPYPS-OCCSQVGLSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571205172 953036433 /nfs/dbraw/zinc/03/64/33/953036433.db2.gz GVFPCIBPLQPYPS-OCCSQVGLSA-N -1 3 382.432 0.450 20 0 GCADHM CCn1cc(C(=O)N2CCC(N(C)c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC001571205507 953039397 /nfs/dbraw/zinc/03/93/97/953039397.db2.gz KOOYBOINNODIIP-UHFFFAOYSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1cc(C(=O)N2CCC(N(C)c3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC001571205507 953039399 /nfs/dbraw/zinc/03/93/99/953039399.db2.gz KOOYBOINNODIIP-UHFFFAOYSA-N -1 3 382.432 0.614 20 0 GCADHM CCCn1cc(C(=O)N2CCCN(c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC001571205893 953043525 /nfs/dbraw/zinc/04/35/25/953043525.db2.gz NPUAMVKCLZDKCE-UHFFFAOYSA-N -1 3 382.432 0.616 20 0 GCADHM CCCn1cc(C(=O)N2CCCN(c3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC001571205893 953043529 /nfs/dbraw/zinc/04/35/29/953043529.db2.gz NPUAMVKCLZDKCE-UHFFFAOYSA-N -1 3 382.432 0.616 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571205874 953043988 /nfs/dbraw/zinc/04/39/88/953043988.db2.gz CSNCLLUOIMFHKL-NEPJUHHUSA-N -1 3 382.432 0.628 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@H]1CC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571205874 953043991 /nfs/dbraw/zinc/04/39/91/953043991.db2.gz CSNCLLUOIMFHKL-NEPJUHHUSA-N -1 3 382.432 0.628 20 0 GCADHM C[C@H]1CN(C(=O)CCn2ccnn2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571205922 953044525 /nfs/dbraw/zinc/04/45/25/953044525.db2.gz OLIBDJSZYONBLB-JSGCOSHPSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H]1CN(C(=O)CCn2ccnn2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571205922 953044526 /nfs/dbraw/zinc/04/45/26/953044526.db2.gz OLIBDJSZYONBLB-JSGCOSHPSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H](CC(=O)N1CCCN(c2cnc(-c3nnn[n-]3)cn2)CC1)n1ccnc1 ZINC001571205979 953044743 /nfs/dbraw/zinc/04/47/43/953044743.db2.gz PUKPNMFOYAESSV-CYBMUJFWSA-N -1 3 382.432 0.543 20 0 GCADHM C[C@H](CC(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)n1ccnc1 ZINC001571205979 953044745 /nfs/dbraw/zinc/04/47/45/953044745.db2.gz PUKPNMFOYAESSV-CYBMUJFWSA-N -1 3 382.432 0.543 20 0 GCADHM C[C@H]1CN(C(=O)CCn2ccnn2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571205921 953045138 /nfs/dbraw/zinc/04/51/38/953045138.db2.gz OLIBDJSZYONBLB-GXTWGEPZSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H]1CN(C(=O)CCn2ccnn2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571205921 953045141 /nfs/dbraw/zinc/04/51/41/953045141.db2.gz OLIBDJSZYONBLB-GXTWGEPZSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001571206055 953046079 /nfs/dbraw/zinc/04/60/79/953046079.db2.gz RHQMQJUJPPYFRR-QWHCGFSZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](CC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001571206055 953046082 /nfs/dbraw/zinc/04/60/82/953046082.db2.gz RHQMQJUJPPYFRR-QWHCGFSZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001571206053 953046421 /nfs/dbraw/zinc/04/64/21/953046421.db2.gz RHQMQJUJPPYFRR-OLZOCXBDSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001571206053 953046426 /nfs/dbraw/zinc/04/64/26/953046426.db2.gz RHQMQJUJPPYFRR-OLZOCXBDSA-N -1 3 382.432 0.907 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)n1 ZINC001571206233 953049306 /nfs/dbraw/zinc/04/93/06/953049306.db2.gz FCVDAULLZLGRKR-LLVKDONJSA-N -1 3 382.432 0.361 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](NC(=O)C(C)(C)c3c[nH]cn3)C2)n1 ZINC001571206233 953049308 /nfs/dbraw/zinc/04/93/08/953049308.db2.gz FCVDAULLZLGRKR-LLVKDONJSA-N -1 3 382.432 0.361 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571206369 953050446 /nfs/dbraw/zinc/05/04/46/953050446.db2.gz UIRGYQZUCRPDNB-VXGBXAGGSA-N -1 3 382.432 0.139 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001571206542 953051876 /nfs/dbraw/zinc/05/18/76/953051876.db2.gz QTADERILSSGJGS-JSGCOSHPSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001571206542 953051880 /nfs/dbraw/zinc/05/18/80/953051880.db2.gz QTADERILSSGJGS-JSGCOSHPSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@@H](NC(=O)c1cn(C)nn1)[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571206485 953052022 /nfs/dbraw/zinc/05/20/22/953052022.db2.gz UXVGSNOUDZKZLN-VXGBXAGGSA-N -1 3 382.432 0.425 20 0 GCADHM C[C@@H](NC(=O)c1cn(C)nn1)[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571206485 953052024 /nfs/dbraw/zinc/05/20/24/953052024.db2.gz UXVGSNOUDZKZLN-VXGBXAGGSA-N -1 3 382.432 0.425 20 0 GCADHM C[C@@H](NC(=O)c1cn(C)nn1)[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571206475 953052266 /nfs/dbraw/zinc/05/22/66/953052266.db2.gz UXVGSNOUDZKZLN-NEPJUHHUSA-N -1 3 382.432 0.425 20 0 GCADHM C[C@@H](NC(=O)c1cn(C)nn1)[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571206475 953052268 /nfs/dbraw/zinc/05/22/68/953052268.db2.gz UXVGSNOUDZKZLN-NEPJUHHUSA-N -1 3 382.432 0.425 20 0 GCADHM CCn1cc(C(=O)NC2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)nn1 ZINC001571206586 953052986 /nfs/dbraw/zinc/05/29/86/953052986.db2.gz IJPPCCUORAXDJW-UHFFFAOYSA-N -1 3 382.432 0.580 20 0 GCADHM CCn1cc(C(=O)NC2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)nn1 ZINC001571206586 953052991 /nfs/dbraw/zinc/05/29/91/953052991.db2.gz IJPPCCUORAXDJW-UHFFFAOYSA-N -1 3 382.432 0.580 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C)n1 ZINC001571206682 953054182 /nfs/dbraw/zinc/05/41/82/953054182.db2.gz IXLYPSFGHBDFLU-NWDGAFQWSA-N -1 3 382.432 0.978 20 0 GCADHM CCn1ncc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@@H]2C)n1 ZINC001571206682 953054184 /nfs/dbraw/zinc/05/41/84/953054184.db2.gz IXLYPSFGHBDFLU-NWDGAFQWSA-N -1 3 382.432 0.978 20 0 GCADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CN(C(=O)c3cncn3C)C[C@H]2C)n1 ZINC001571206768 953055073 /nfs/dbraw/zinc/05/50/73/953055073.db2.gz KNYGEWMAYPFTBY-PWSUYJOCSA-N -1 3 382.432 0.519 20 0 GCADHM Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CN(C(=O)c3cncn3C)C[C@H]2C)n1 ZINC001571206768 953055074 /nfs/dbraw/zinc/05/50/74/953055074.db2.gz KNYGEWMAYPFTBY-PWSUYJOCSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571206757 953055463 /nfs/dbraw/zinc/05/54/63/953055463.db2.gz XDYOFQCGVAKAKE-NEPJUHHUSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@@H]1CN(C(=O)CCc2nccn2C)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571206757 953055467 /nfs/dbraw/zinc/05/54/67/953055467.db2.gz XDYOFQCGVAKAKE-NEPJUHHUSA-N -1 3 382.432 0.282 20 0 GCADHM C[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001571206771 953055478 /nfs/dbraw/zinc/05/54/78/953055478.db2.gz XEMCTKPWAWPJOQ-NSHDSACASA-N -1 3 382.432 0.083 20 0 GCADHM C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001571206771 953055482 /nfs/dbraw/zinc/05/54/82/953055482.db2.gz XEMCTKPWAWPJOQ-NSHDSACASA-N -1 3 382.432 0.083 20 0 GCADHM CCn1ncc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)c(C)n2)n1 ZINC001571206840 953056150 /nfs/dbraw/zinc/05/61/50/953056150.db2.gz LIKWUBZWTHKRPZ-GFCCVEGCSA-N -1 3 382.432 0.898 20 0 GCADHM CCn1ncc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)c(C)n2)n1 ZINC001571206840 953056151 /nfs/dbraw/zinc/05/61/51/953056151.db2.gz LIKWUBZWTHKRPZ-GFCCVEGCSA-N -1 3 382.432 0.898 20 0 GCADHM C[C@@H](C(=O)N(C)C1CCN(c2ncccc2-c2nnn[n-]2)CC1)n1cncn1 ZINC001571206916 953057361 /nfs/dbraw/zinc/05/73/61/953057361.db2.gz SYDLRVUMYHXHLD-LBPRGKRZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](C(=O)N(C)C1CCN(c2ncccc2-c2nn[n-]n2)CC1)n1cncn1 ZINC001571206916 953057365 /nfs/dbraw/zinc/05/73/65/953057365.db2.gz SYDLRVUMYHXHLD-LBPRGKRZSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)cn2)CC1)n1cncn1 ZINC001571206963 953058029 /nfs/dbraw/zinc/05/80/29/953058029.db2.gz VFDPQVIJUKPMBF-GFCCVEGCSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC(N(C)c2ccc(-c3nn[n-]n3)cn2)CC1)n1cncn1 ZINC001571206963 953058032 /nfs/dbraw/zinc/05/80/32/953058032.db2.gz VFDPQVIJUKPMBF-GFCCVEGCSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571206987 953058497 /nfs/dbraw/zinc/05/84/97/953058497.db2.gz YZQZYCWJCFNRAE-GXTWGEPZSA-N -1 3 382.432 0.592 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nn1)[C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001571207071 953059407 /nfs/dbraw/zinc/05/94/07/953059407.db2.gz MMIDMDHMEXSWFM-CYBMUJFWSA-N -1 3 382.432 0.440 20 0 GCADHM CCn1ncc(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001571207157 953059719 /nfs/dbraw/zinc/05/97/19/953059719.db2.gz NVTFXGXPANELBK-CYBMUJFWSA-N -1 3 382.432 0.614 20 0 GCADHM CCn1ncc(C(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001571207157 953059724 /nfs/dbraw/zinc/05/97/24/953059724.db2.gz NVTFXGXPANELBK-CYBMUJFWSA-N -1 3 382.432 0.614 20 0 GCADHM O=C(Cc1ccc[nH]1)N[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571207115 953060084 /nfs/dbraw/zinc/06/00/84/953060084.db2.gz VXDOWJMUOUJTBF-OLZOCXBDSA-N -1 3 382.428 0.923 20 0 GCADHM O=C(Cc1ccc[nH]1)N[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571207115 953060087 /nfs/dbraw/zinc/06/00/87/953060087.db2.gz VXDOWJMUOUJTBF-OLZOCXBDSA-N -1 3 382.428 0.923 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571207268 953061069 /nfs/dbraw/zinc/06/10/69/953061069.db2.gz PHZJWJUNUMVERB-LBPRGKRZSA-N -1 3 382.432 0.581 20 0 GCADHM Cn1cncc1C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571207335 953061923 /nfs/dbraw/zinc/06/19/23/953061923.db2.gz XWZMOXYCPDXLFT-HNNXBMFYSA-N -1 3 382.428 0.231 20 0 GCADHM Cn1cncc1C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571207335 953061926 /nfs/dbraw/zinc/06/19/26/953061926.db2.gz XWZMOXYCPDXLFT-HNNXBMFYSA-N -1 3 382.428 0.231 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571207562 953064236 /nfs/dbraw/zinc/06/42/36/953064236.db2.gz WUMXSZQXTFTZQH-YPMHNXCESA-N -1 3 382.432 0.836 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571207562 953064240 /nfs/dbraw/zinc/06/42/40/953064240.db2.gz WUMXSZQXTFTZQH-YPMHNXCESA-N -1 3 382.432 0.836 20 0 GCADHM CCn1nncc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571207590 953064584 /nfs/dbraw/zinc/06/45/84/953064584.db2.gz XMGIVGACDOLXJI-ZWNOBZJWSA-N -1 3 382.432 0.754 20 0 GCADHM CCn1nncc1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571207590 953064586 /nfs/dbraw/zinc/06/45/86/953064586.db2.gz XMGIVGACDOLXJI-ZWNOBZJWSA-N -1 3 382.432 0.754 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)[C@H](C)C1 ZINC001571207560 953064598 /nfs/dbraw/zinc/06/45/98/953064598.db2.gz WUMXSZQXTFTZQH-DGCLKSJQSA-N -1 3 382.432 0.836 20 0 GCADHM CCn1nncc1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)[C@H](C)C1 ZINC001571207560 953064600 /nfs/dbraw/zinc/06/46/00/953064600.db2.gz WUMXSZQXTFTZQH-DGCLKSJQSA-N -1 3 382.432 0.836 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C[C@@H]1C ZINC001571207629 953065115 /nfs/dbraw/zinc/06/51/15/953065115.db2.gz YJKFOZUBUGQCOF-CMPLNLGQSA-N -1 3 382.432 0.722 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)CCn2ccnn2)C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571207658 953065278 /nfs/dbraw/zinc/06/52/78/953065278.db2.gz ZEKMDOPWYDTMPX-ZDUSSCGKSA-N -1 3 382.432 0.228 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)CCn2ccnn2)C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571207658 953065280 /nfs/dbraw/zinc/06/52/80/953065280.db2.gz ZEKMDOPWYDTMPX-ZDUSSCGKSA-N -1 3 382.432 0.228 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCN(C(=O)CCc2cnn(C)n2)C1 ZINC001571207624 953065528 /nfs/dbraw/zinc/06/55/28/953065528.db2.gz YGAKWIMDKZBCRZ-AWEZNQCLSA-N -1 3 382.432 0.060 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCN(C(=O)CCc2cnn(C)n2)C1 ZINC001571207624 953065530 /nfs/dbraw/zinc/06/55/30/953065530.db2.gz YGAKWIMDKZBCRZ-AWEZNQCLSA-N -1 3 382.432 0.060 20 0 GCADHM O=C(CCn1ccnn1)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571209853 953067457 /nfs/dbraw/zinc/06/74/57/953067457.db2.gz GTMUEKQMXGYTRM-UHFFFAOYSA-N -1 3 382.432 0.594 20 0 GCADHM O=C(CCn1ccnn1)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571209853 953067462 /nfs/dbraw/zinc/06/74/62/953067462.db2.gz GTMUEKQMXGYTRM-UHFFFAOYSA-N -1 3 382.432 0.594 20 0 GCADHM O=C(CCn1cncn1)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571210602 953073202 /nfs/dbraw/zinc/07/32/02/953073202.db2.gz UDQOXSAUILSPKQ-AWEZNQCLSA-N -1 3 382.432 0.737 20 0 GCADHM O=C(CCn1cncn1)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571210602 953073210 /nfs/dbraw/zinc/07/32/10/953073210.db2.gz UDQOXSAUILSPKQ-AWEZNQCLSA-N -1 3 382.432 0.737 20 0 GCADHM CCS(=O)(=O)N(C)CC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001571210761 953073806 /nfs/dbraw/zinc/07/38/06/953073806.db2.gz WLJUMLNLDNMYCI-UHFFFAOYSA-N -1 3 382.446 0.874 20 0 GCADHM CCS(=O)(=O)N(C)CC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001571210761 953073811 /nfs/dbraw/zinc/07/38/11/953073811.db2.gz WLJUMLNLDNMYCI-UHFFFAOYSA-N -1 3 382.446 0.874 20 0 GCADHM O=C(Cn1cncn1)N[C@@H]1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571210908 953076171 /nfs/dbraw/zinc/07/61/71/953076171.db2.gz ZXGGXMPWWMCRHU-GXTWGEPZSA-N -1 3 382.432 0.640 20 0 GCADHM O=C(Cn1cncn1)N[C@@H]1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571210908 953076177 /nfs/dbraw/zinc/07/61/77/953076177.db2.gz ZXGGXMPWWMCRHU-GXTWGEPZSA-N -1 3 382.432 0.640 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)c2cnn(C)c2N)ccc1-c1nnn[n-]1 ZINC001571211433 953076414 /nfs/dbraw/zinc/07/64/14/953076414.db2.gz AMUWIQROFFJIKP-LLVKDONJSA-N -1 3 382.432 0.603 20 0 GCADHM Cc1nc(NC[C@H]2CCCN2C(=O)c2cnn(C)c2N)ccc1-c1nn[n-]n1 ZINC001571211433 953076416 /nfs/dbraw/zinc/07/64/16/953076416.db2.gz AMUWIQROFFJIKP-LLVKDONJSA-N -1 3 382.432 0.603 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1N ZINC001571211854 953081700 /nfs/dbraw/zinc/08/17/00/953081700.db2.gz HLJYXBFCYBNPFE-LLVKDONJSA-N -1 3 382.432 0.224 20 0 GCADHM Cn1ncc(C(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1N ZINC001571211854 953081705 /nfs/dbraw/zinc/08/17/05/953081705.db2.gz HLJYXBFCYBNPFE-LLVKDONJSA-N -1 3 382.432 0.224 20 0 GCADHM Cc1cncn1CC(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571211852 953081960 /nfs/dbraw/zinc/08/19/60/953081960.db2.gz HILIIIMMEBPCCJ-QWHCGFSZSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cncn1CC(=O)N1CC[C@@H]([C@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571211852 953081964 /nfs/dbraw/zinc/08/19/64/953081964.db2.gz HILIIIMMEBPCCJ-QWHCGFSZSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCN(C(=O)Cn3cncn3)C2)n1 ZINC001571212843 953090525 /nfs/dbraw/zinc/09/05/25/953090525.db2.gz PQCMDFWNBVRIJQ-CYBMUJFWSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCN(C(=O)Cn3cncn3)C2)n1 ZINC001571212843 953090530 /nfs/dbraw/zinc/09/05/30/953090530.db2.gz PQCMDFWNBVRIJQ-CYBMUJFWSA-N -1 3 382.432 0.512 20 0 GCADHM Cc1nc(N[C@H]2CCC[C@@H](NC(=O)Cn3cncn3)C2)ccc1-c1nnn[n-]1 ZINC001571213014 953092255 /nfs/dbraw/zinc/09/22/55/953092255.db2.gz PSHBBWQLVOTVBB-QWHCGFSZSA-N -1 3 382.432 0.701 20 0 GCADHM Cc1nc(N[C@H]2CCC[C@@H](NC(=O)Cn3cncn3)C2)ccc1-c1nn[n-]n1 ZINC001571213014 953092257 /nfs/dbraw/zinc/09/22/57/953092257.db2.gz PSHBBWQLVOTVBB-QWHCGFSZSA-N -1 3 382.432 0.701 20 0 GCADHM Cc1nc(N(C)[C@H]2CCN(C(=O)c3cnn(C)c3N)C2)ccc1-c1nnn[n-]1 ZINC001571213137 953093590 /nfs/dbraw/zinc/09/35/90/953093590.db2.gz RGSZBGITERWNPG-NSHDSACASA-N -1 3 382.432 0.237 20 0 GCADHM Cc1nc(N(C)[C@H]2CCN(C(=O)c3cnn(C)c3N)C2)ccc1-c1nn[n-]n1 ZINC001571213137 953093628 /nfs/dbraw/zinc/09/36/28/953093628.db2.gz RGSZBGITERWNPG-NSHDSACASA-N -1 3 382.432 0.237 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](C)[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571213797 953097593 /nfs/dbraw/zinc/09/75/93/953097593.db2.gz VXFBKQFLZVLIAM-JQWIXIFHSA-N -1 3 382.432 0.437 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](C)[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571213797 953097597 /nfs/dbraw/zinc/09/75/97/953097597.db2.gz VXFBKQFLZVLIAM-JQWIXIFHSA-N -1 3 382.432 0.437 20 0 GCADHM O=C(CC(F)(F)F)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571216766 953103690 /nfs/dbraw/zinc/10/36/90/953103690.db2.gz AJPFWJGYQPXAIS-LDYMZIIASA-N -1 3 383.334 0.820 20 0 GCADHM O=C(CC(F)(F)F)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571216766 953103692 /nfs/dbraw/zinc/10/36/92/953103692.db2.gz AJPFWJGYQPXAIS-LDYMZIIASA-N -1 3 383.334 0.820 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1O)c1cncc(F)c1 ZINC001571216675 953103889 /nfs/dbraw/zinc/10/38/89/953103889.db2.gz BIXZWKCBTYGBNX-CVEARBPZSA-N -1 3 383.387 0.376 20 0 GCADHM O=C(Nc1cccc(Oc2ccc(-c3nnn[n-]3)cn2)c1)N[C@@H]1COC[C@H]1O ZINC001571217229 953106165 /nfs/dbraw/zinc/10/61/65/953106165.db2.gz CRTMBMDMVJFAAD-ZIAGYGMSSA-N -1 3 383.368 0.935 20 0 GCADHM O=C(Nc1cccc(Oc2ccc(-c3nn[n-]n3)cn2)c1)N[C@@H]1COC[C@H]1O ZINC001571217229 953106168 /nfs/dbraw/zinc/10/61/68/953106168.db2.gz CRTMBMDMVJFAAD-ZIAGYGMSSA-N -1 3 383.368 0.935 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1O)c1cccnc1 ZINC001571218242 953114391 /nfs/dbraw/zinc/11/43/91/953114391.db2.gz TUSPLARXEMWLJW-HZPDHXFCSA-N -1 3 383.387 0.376 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O)c1cccnc1 ZINC001571218242 953114396 /nfs/dbraw/zinc/11/43/96/953114396.db2.gz TUSPLARXEMWLJW-HZPDHXFCSA-N -1 3 383.387 0.376 20 0 GCADHM Cc1cccc(F)c1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571218239 953114405 /nfs/dbraw/zinc/11/44/05/953114405.db2.gz TUGLUCBYWRAJIZ-KGLIPLIRSA-N -1 3 383.387 0.689 20 0 GCADHM Cc1cccc(F)c1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571218239 953114409 /nfs/dbraw/zinc/11/44/09/953114409.db2.gz TUGLUCBYWRAJIZ-KGLIPLIRSA-N -1 3 383.387 0.689 20 0 GCADHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001571218542 953116281 /nfs/dbraw/zinc/11/62/81/953116281.db2.gz AXFCZAIIUIDGPD-CDMKHQONSA-N -1 3 383.405 0.396 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001571219274 953124248 /nfs/dbraw/zinc/12/42/48/953124248.db2.gz NHSWAHNFIVUQKL-PJXYFTJBSA-N -1 3 383.391 0.307 20 0 GCADHM Cc1ncn(C)c1C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001571219274 953124254 /nfs/dbraw/zinc/12/42/54/953124254.db2.gz NHSWAHNFIVUQKL-PJXYFTJBSA-N -1 3 383.391 0.307 20 0 GCADHM CS(=O)(=O)c1ncnn1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001571219290 953124443 /nfs/dbraw/zinc/12/44/43/953124443.db2.gz WNYUDVQXWJLGEW-UHFFFAOYSA-N -1 3 382.793 0.154 20 0 GCADHM CS(=O)(=O)c1ncnn1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001571219290 953124446 /nfs/dbraw/zinc/12/44/46/953124446.db2.gz WNYUDVQXWJLGEW-UHFFFAOYSA-N -1 3 382.793 0.154 20 0 GCADHM Nc1nccnc1C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571219511 953125758 /nfs/dbraw/zinc/12/57/58/953125758.db2.gz PIVKTDJKBKVHHG-NSHDSACASA-N -1 3 383.391 0.382 20 0 GCADHM Nc1nccnc1C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571219511 953125761 /nfs/dbraw/zinc/12/57/61/953125761.db2.gz PIVKTDJKBKVHHG-NSHDSACASA-N -1 3 383.391 0.382 20 0 GCADHM Cc1ncncc1C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001571219735 953126727 /nfs/dbraw/zinc/12/67/27/953126727.db2.gz RJXHMRKLIVYXRF-YMTOWFKASA-N -1 3 383.391 0.754 20 0 GCADHM Cc1ncncc1C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001571219735 953126728 /nfs/dbraw/zinc/12/67/28/953126728.db2.gz RJXHMRKLIVYXRF-YMTOWFKASA-N -1 3 383.391 0.754 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1cnc2n1CCC2 ZINC001571219700 953126842 /nfs/dbraw/zinc/12/68/42/953126842.db2.gz QGCQDOGSNDCXFA-XYPYZODXSA-N -1 3 383.391 0.916 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1cnc2n1CCC2 ZINC001571219700 953126845 /nfs/dbraw/zinc/12/68/45/953126845.db2.gz QGCQDOGSNDCXFA-XYPYZODXSA-N -1 3 383.391 0.916 20 0 GCADHM Cc1cnc(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C)cn1 ZINC001571220163 953129083 /nfs/dbraw/zinc/12/90/83/953129083.db2.gz YASXHUOKCJVKDC-YMTOWFKASA-N -1 3 383.391 0.754 20 0 GCADHM Cc1cnc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C)cn1 ZINC001571220163 953129087 /nfs/dbraw/zinc/12/90/87/953129087.db2.gz YASXHUOKCJVKDC-YMTOWFKASA-N -1 3 383.391 0.754 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(c1ncccc1-c1nnn[n-]1)CC2)C1=COCCO1 ZINC001571222131 953131499 /nfs/dbraw/zinc/13/14/99/953131499.db2.gz CWXFMUSJIKZOBL-KBXCAEBGSA-N -1 3 383.412 0.768 20 0 GCADHM O=C(N[C@@]12CCC[C@@H]1N(c1ncccc1-c1nn[n-]n1)CC2)C1=COCCO1 ZINC001571222131 953131505 /nfs/dbraw/zinc/13/15/05/953131505.db2.gz CWXFMUSJIKZOBL-KBXCAEBGSA-N -1 3 383.412 0.768 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)c1ccnn1C ZINC001571222312 953133370 /nfs/dbraw/zinc/13/33/70/953133370.db2.gz GGHIGJMYPOCFCJ-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)c1ccnn1C ZINC001571222312 953133373 /nfs/dbraw/zinc/13/33/73/953133373.db2.gz GGHIGJMYPOCFCJ-ZYHUDNBSSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222376 953134321 /nfs/dbraw/zinc/13/43/21/953134321.db2.gz HHDUFJZOMHQKMW-JQWIXIFHSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222376 953134322 /nfs/dbraw/zinc/13/43/22/953134322.db2.gz HHDUFJZOMHQKMW-JQWIXIFHSA-N -1 3 383.416 0.446 20 0 GCADHM Cc1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)o1 ZINC001571222399 953134339 /nfs/dbraw/zinc/13/43/39/953134339.db2.gz HVDOZYKQKIJUTJ-GJZGRUSLSA-N -1 3 383.412 0.462 20 0 GCADHM Cc1ccc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)o1 ZINC001571222399 953134341 /nfs/dbraw/zinc/13/43/41/953134341.db2.gz HVDOZYKQKIJUTJ-GJZGRUSLSA-N -1 3 383.412 0.462 20 0 GCADHM COc1cncc(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571222455 953134975 /nfs/dbraw/zinc/13/49/75/953134975.db2.gz GDWYUAGNRHVFPT-CYBMUJFWSA-N -1 3 383.416 0.340 20 0 GCADHM COc1cncc(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571222455 953134977 /nfs/dbraw/zinc/13/49/77/953134977.db2.gz GDWYUAGNRHVFPT-CYBMUJFWSA-N -1 3 383.416 0.340 20 0 GCADHM O=C(C1=COCCO1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571222556 953135654 /nfs/dbraw/zinc/13/56/54/953135654.db2.gz IXYLXUZYPRWKQA-HUUCEWRRSA-N -1 3 383.412 0.720 20 0 GCADHM O=C(C1=COCCO1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571222556 953135656 /nfs/dbraw/zinc/13/56/56/953135656.db2.gz IXYLXUZYPRWKQA-HUUCEWRRSA-N -1 3 383.412 0.720 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571222569 953135825 /nfs/dbraw/zinc/13/58/25/953135825.db2.gz HIDXUYOMHWICFI-SKDRFNHKSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571222569 953135827 /nfs/dbraw/zinc/13/58/27/953135827.db2.gz HIDXUYOMHWICFI-SKDRFNHKSA-N -1 3 383.416 0.649 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001571222579 953135836 /nfs/dbraw/zinc/13/58/36/953135836.db2.gz JRLYJWFRZCBQCD-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001571222579 953135840 /nfs/dbraw/zinc/13/58/40/953135840.db2.gz JRLYJWFRZCBQCD-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM O=C(c1ccco1)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571222639 953136840 /nfs/dbraw/zinc/13/68/40/953136840.db2.gz KHTZRPFDCGLOJV-CQSZACIVSA-N -1 3 383.412 0.958 20 0 GCADHM O=C(c1ccco1)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571222639 953136845 /nfs/dbraw/zinc/13/68/45/953136845.db2.gz KHTZRPFDCGLOJV-CQSZACIVSA-N -1 3 383.412 0.958 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nn1C ZINC001571222623 953136947 /nfs/dbraw/zinc/13/69/47/953136947.db2.gz ICFGUSYHAOCXGM-LLVKDONJSA-N -1 3 383.416 0.260 20 0 GCADHM COc1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nn1C ZINC001571222623 953136948 /nfs/dbraw/zinc/13/69/48/953136948.db2.gz ICFGUSYHAOCXGM-LLVKDONJSA-N -1 3 383.416 0.260 20 0 GCADHM CCn1nccc1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222727 953137857 /nfs/dbraw/zinc/13/78/57/953137857.db2.gz KGLDNIZTPBYGQT-GFCCVEGCSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1nccc1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222727 953137859 /nfs/dbraw/zinc/13/78/59/953137859.db2.gz KGLDNIZTPBYGQT-GFCCVEGCSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1cnc(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571222741 953137939 /nfs/dbraw/zinc/13/79/39/953137939.db2.gz KTUUKIZRAROJKQ-JTQLQIEISA-N -1 3 383.416 0.302 20 0 GCADHM CCn1cnc(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571222741 953137943 /nfs/dbraw/zinc/13/79/43/953137943.db2.gz KTUUKIZRAROJKQ-JTQLQIEISA-N -1 3 383.416 0.302 20 0 GCADHM COc1nn(C)cc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571222796 953138250 /nfs/dbraw/zinc/13/82/50/953138250.db2.gz MLUIEFYUCFGBHE-GFCCVEGCSA-N -1 3 383.416 0.721 20 0 GCADHM COc1nn(C)cc1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571222796 953138252 /nfs/dbraw/zinc/13/82/52/953138252.db2.gz MLUIEFYUCFGBHE-GFCCVEGCSA-N -1 3 383.416 0.721 20 0 GCADHM Cc1ccoc1CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571222795 953138323 /nfs/dbraw/zinc/13/83/23/953138323.db2.gz LEGZXMODZDYHCF-BXUZGUMPSA-N -1 3 383.412 0.916 20 0 GCADHM Cc1ccoc1CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571222795 953138328 /nfs/dbraw/zinc/13/83/28/953138328.db2.gz LEGZXMODZDYHCF-BXUZGUMPSA-N -1 3 383.412 0.916 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)Cc1cnc[nH]1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571222758 953138530 /nfs/dbraw/zinc/13/85/30/953138530.db2.gz LGMRGOQSTQQSGI-CYBMUJFWSA-N -1 3 383.416 0.224 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001571222813 953138659 /nfs/dbraw/zinc/13/86/59/953138659.db2.gz LNLUYGMGYBMSAH-BXUZGUMPSA-N -1 3 383.416 0.337 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001571222813 953138660 /nfs/dbraw/zinc/13/86/60/953138660.db2.gz LNLUYGMGYBMSAH-BXUZGUMPSA-N -1 3 383.416 0.337 20 0 GCADHM COc1nccc(CN2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571222792 953138892 /nfs/dbraw/zinc/13/88/92/953138892.db2.gz MLOHZJYAYLOGDC-JTQLQIEISA-N -1 3 383.416 0.244 20 0 GCADHM COc1nccc(CN2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571222792 953138897 /nfs/dbraw/zinc/13/88/97/953138897.db2.gz MLOHZJYAYLOGDC-JTQLQIEISA-N -1 3 383.416 0.244 20 0 GCADHM CCn1ccnc1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001571222857 953139643 /nfs/dbraw/zinc/13/96/43/953139643.db2.gz NDKAJDBOVSURJI-CYBMUJFWSA-N -1 3 383.416 0.113 20 0 GCADHM CCn1ccnc1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001571222857 953139646 /nfs/dbraw/zinc/13/96/46/953139646.db2.gz NDKAJDBOVSURJI-CYBMUJFWSA-N -1 3 383.416 0.113 20 0 GCADHM CCn1nc(C)cc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571222837 953139988 /nfs/dbraw/zinc/13/99/88/953139988.db2.gz MXGUWXOHZTVDDJ-NSHDSACASA-N -1 3 383.416 0.364 20 0 GCADHM CCn1nc(C)cc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571222837 953139991 /nfs/dbraw/zinc/13/99/91/953139991.db2.gz MXGUWXOHZTVDDJ-NSHDSACASA-N -1 3 383.416 0.364 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571222847 953140047 /nfs/dbraw/zinc/14/00/47/953140047.db2.gz NBADTQMCRGTTCB-KOLCDFICSA-N -1 3 383.416 0.819 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571222847 953140049 /nfs/dbraw/zinc/14/00/49/953140049.db2.gz NBADTQMCRGTTCB-KOLCDFICSA-N -1 3 383.416 0.819 20 0 GCADHM CCn1ccnc1C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223030 953140370 /nfs/dbraw/zinc/14/03/70/953140370.db2.gz PLSVAOMBODCLOH-GFCCVEGCSA-N -1 3 383.416 0.446 20 0 GCADHM CCn1ccnc1C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223030 953140372 /nfs/dbraw/zinc/14/03/72/953140372.db2.gz PLSVAOMBODCLOH-GFCCVEGCSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001571222911 953140418 /nfs/dbraw/zinc/14/04/18/953140418.db2.gz NFZYRDAIWUGYBE-PKSQDBQZSA-N -1 3 383.416 0.372 20 0 GCADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001571222911 953140419 /nfs/dbraw/zinc/14/04/19/953140419.db2.gz NFZYRDAIWUGYBE-PKSQDBQZSA-N -1 3 383.416 0.372 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@@H]2CN(C(=O)C3=COCCC3)[C@@H]2C1 ZINC001571222913 953140484 /nfs/dbraw/zinc/14/04/84/953140484.db2.gz NJNHPSMOAQOZJQ-IAQYHMDHSA-N -1 3 383.412 0.562 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@H]2CN(C(=O)C3=COCCC3)[C@@H]2C1 ZINC001571222913 953140487 /nfs/dbraw/zinc/14/04/87/953140487.db2.gz NJNHPSMOAQOZJQ-IAQYHMDHSA-N -1 3 383.412 0.562 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)[nH]n1 ZINC001571223133 953141209 /nfs/dbraw/zinc/14/12/09/953141209.db2.gz OAIZHTYTVUJQOH-SKDRFNHKSA-N -1 3 383.416 0.513 20 0 GCADHM CCc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)[nH]n1 ZINC001571223133 953141210 /nfs/dbraw/zinc/14/12/10/953141210.db2.gz OAIZHTYTVUJQOH-SKDRFNHKSA-N -1 3 383.416 0.513 20 0 GCADHM COc1cncc(CN2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571223239 953142559 /nfs/dbraw/zinc/14/25/59/953142559.db2.gz QYIXPKCQSSTECA-ZDUSSCGKSA-N -1 3 383.416 0.340 20 0 GCADHM COc1cncc(CN2CC[C@H]2CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571223239 953142563 /nfs/dbraw/zinc/14/25/63/953142563.db2.gz QYIXPKCQSSTECA-ZDUSSCGKSA-N -1 3 383.416 0.340 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571223315 953142856 /nfs/dbraw/zinc/14/28/56/953142856.db2.gz SVXYZGDWLDYWQN-KOLCDFICSA-N -1 3 383.416 0.188 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571223315 953142857 /nfs/dbraw/zinc/14/28/57/953142857.db2.gz SVXYZGDWLDYWQN-KOLCDFICSA-N -1 3 383.416 0.188 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001571223365 953143421 /nfs/dbraw/zinc/14/34/21/953143421.db2.gz QCXFTRCQYDIUEI-UHIISALHSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001571223365 953143426 /nfs/dbraw/zinc/14/34/26/953143426.db2.gz QCXFTRCQYDIUEI-UHIISALHSA-N -1 3 383.416 0.229 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223494 953144654 /nfs/dbraw/zinc/14/46/54/953144654.db2.gz RONOOJGRIGMHJV-GXTWGEPZSA-N -1 3 383.416 0.201 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223494 953144656 /nfs/dbraw/zinc/14/46/56/953144656.db2.gz RONOOJGRIGMHJV-GXTWGEPZSA-N -1 3 383.416 0.201 20 0 GCADHM CCn1nc(C)cc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571223539 953144938 /nfs/dbraw/zinc/14/49/38/953144938.db2.gz URCNJIRZAMPDAP-LLVKDONJSA-N -1 3 383.416 0.364 20 0 GCADHM CCn1nc(C)cc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571223539 953144941 /nfs/dbraw/zinc/14/49/41/953144941.db2.gz URCNJIRZAMPDAP-LLVKDONJSA-N -1 3 383.416 0.364 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2cncn2C)CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571223513 953145291 /nfs/dbraw/zinc/14/52/91/953145291.db2.gz SJKLJHJHCGCLLZ-QWRGUYRKSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2cncn2C)CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571223513 953145293 /nfs/dbraw/zinc/14/52/93/953145293.db2.gz SJKLJHJHCGCLLZ-QWRGUYRKSA-N -1 3 383.416 0.351 20 0 GCADHM CCc1n[nH]cc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571223725 953146180 /nfs/dbraw/zinc/14/61/80/953146180.db2.gz UCFWLKDOKHQVHC-GFCCVEGCSA-N -1 3 383.416 0.182 20 0 GCADHM CCc1n[nH]cc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571223725 953146186 /nfs/dbraw/zinc/14/61/86/953146186.db2.gz UCFWLKDOKHQVHC-GFCCVEGCSA-N -1 3 383.416 0.182 20 0 GCADHM CNC(=O)CCNC(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001571223616 953146520 /nfs/dbraw/zinc/14/65/20/953146520.db2.gz XQMOXVQPDCCSPB-UHFFFAOYSA-N -1 3 383.416 0.203 20 0 GCADHM CNC(=O)CCNC(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001571223616 953146522 /nfs/dbraw/zinc/14/65/22/953146522.db2.gz XQMOXVQPDCCSPB-UHFFFAOYSA-N -1 3 383.416 0.203 20 0 GCADHM COc1nc(C)cc(N2CC[C@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571223834 953146850 /nfs/dbraw/zinc/14/68/50/953146850.db2.gz XVTLAQLFJNCCMM-NSHDSACASA-N -1 3 383.416 0.653 20 0 GCADHM COc1nc(C)cc(N2CC[C@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571223834 953146853 /nfs/dbraw/zinc/14/68/53/953146853.db2.gz XVTLAQLFJNCCMM-NSHDSACASA-N -1 3 383.416 0.653 20 0 GCADHM CCn1cnc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571223803 953146883 /nfs/dbraw/zinc/14/68/83/953146883.db2.gz XSGWSKNENTYJRO-PWSUYJOCSA-N -1 3 383.416 0.444 20 0 GCADHM CCn1cnc(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571223803 953146884 /nfs/dbraw/zinc/14/68/84/953146884.db2.gz XSGWSKNENTYJRO-PWSUYJOCSA-N -1 3 383.416 0.444 20 0 GCADHM C[C@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223771 953147104 /nfs/dbraw/zinc/14/71/04/953147104.db2.gz VFNGAMKGGKFCAD-SECBINFHSA-N -1 3 383.416 0.878 20 0 GCADHM C[C@H](c1nc(C2CC2)no1)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223771 953147106 /nfs/dbraw/zinc/14/71/06/953147106.db2.gz VFNGAMKGGKFCAD-SECBINFHSA-N -1 3 383.416 0.878 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571223898 953147778 /nfs/dbraw/zinc/14/77/78/953147778.db2.gz ZMSPTYUDOKFHAR-QWRGUYRKSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571223898 953147781 /nfs/dbraw/zinc/14/77/81/953147781.db2.gz ZMSPTYUDOKFHAR-QWRGUYRKSA-N -1 3 383.416 0.555 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)c(C)n3)C2)nn1C ZINC001571223876 953147852 /nfs/dbraw/zinc/14/78/52/953147852.db2.gz ZAZNNQNHRWIDKR-XYPYZODXSA-N -1 3 383.416 0.685 20 0 GCADHM COc1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)c(C)n3)C2)nn1C ZINC001571223876 953147854 /nfs/dbraw/zinc/14/78/54/953147854.db2.gz ZAZNNQNHRWIDKR-XYPYZODXSA-N -1 3 383.416 0.685 20 0 GCADHM COCc1cc(N(C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ncn1 ZINC001571223878 953148002 /nfs/dbraw/zinc/14/80/02/953148002.db2.gz ZBIIQGLTUVSPRR-ZDUSSCGKSA-N -1 3 383.416 0.482 20 0 GCADHM COCc1cc(N(C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ncn1 ZINC001571223878 953148003 /nfs/dbraw/zinc/14/80/03/953148003.db2.gz ZBIIQGLTUVSPRR-ZDUSSCGKSA-N -1 3 383.416 0.482 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571224035 953148282 /nfs/dbraw/zinc/14/82/82/953148282.db2.gz XJQGPKKISIFEEX-JQWIXIFHSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571224035 953148284 /nfs/dbraw/zinc/14/82/84/953148284.db2.gz XJQGPKKISIFEEX-JQWIXIFHSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(C(=O)CCn2ccnc2)C1 ZINC001571224082 953148514 /nfs/dbraw/zinc/14/85/14/953148514.db2.gz XUJGJAUGLINYHJ-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(C(=O)CCn2ccnc2)C1 ZINC001571224082 953148517 /nfs/dbraw/zinc/14/85/17/953148517.db2.gz XUJGJAUGLINYHJ-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1NC(=O)Cn1cccn1 ZINC001571223984 953148661 /nfs/dbraw/zinc/14/86/61/953148661.db2.gz WQIVMSJBMQKZAO-ZDUSSCGKSA-N -1 3 383.416 0.058 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1NC(=O)Cn1cccn1 ZINC001571223984 953148664 /nfs/dbraw/zinc/14/86/64/953148664.db2.gz WQIVMSJBMQKZAO-ZDUSSCGKSA-N -1 3 383.416 0.058 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001571224088 953148710 /nfs/dbraw/zinc/14/87/10/953148710.db2.gz XWTOAALOQREZMD-JSGCOSHPSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001571224088 953148714 /nfs/dbraw/zinc/14/87/14/953148714.db2.gz XWTOAALOQREZMD-JSGCOSHPSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001571223977 953148807 /nfs/dbraw/zinc/14/88/07/953148807.db2.gz WNFVNNYNGOGCOL-QWRGUYRKSA-N -1 3 383.416 0.806 20 0 GCADHM C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001571223977 953148809 /nfs/dbraw/zinc/14/88/09/953148809.db2.gz WNFVNNYNGOGCOL-QWRGUYRKSA-N -1 3 383.416 0.806 20 0 GCADHM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571224129 953149369 /nfs/dbraw/zinc/14/93/69/953149369.db2.gz YVKRUMCTRGTBDO-JQWIXIFHSA-N -1 3 383.416 0.664 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1C ZINC001571224159 953149514 /nfs/dbraw/zinc/14/95/14/953149514.db2.gz ZTFXYBVAWSCVMP-LLVKDONJSA-N -1 3 383.416 0.135 20 0 GCADHM CCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1C ZINC001571224159 953149518 /nfs/dbraw/zinc/14/95/18/953149518.db2.gz ZTFXYBVAWSCVMP-LLVKDONJSA-N -1 3 383.416 0.135 20 0 GCADHM Cc1ncc(C(=O)N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1C ZINC001571224731 953150394 /nfs/dbraw/zinc/15/03/94/953150394.db2.gz FGTAOMKHZYXSKM-UHFFFAOYSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1ncc(C(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1C ZINC001571224731 953150395 /nfs/dbraw/zinc/15/03/95/953150395.db2.gz FGTAOMKHZYXSKM-UHFFFAOYSA-N -1 3 383.416 0.271 20 0 GCADHM Cc1ccnn1CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571224709 953150491 /nfs/dbraw/zinc/15/04/91/953150491.db2.gz DSQHQYYBVUXYAU-CYBMUJFWSA-N -1 3 383.416 0.073 20 0 GCADHM Cc1ccnn1CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571224709 953150492 /nfs/dbraw/zinc/15/04/92/953150492.db2.gz DSQHQYYBVUXYAU-CYBMUJFWSA-N -1 3 383.416 0.073 20 0 GCADHM Cc1ccnn1CC(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571224710 953150527 /nfs/dbraw/zinc/15/05/27/953150527.db2.gz DSQHQYYBVUXYAU-ZDUSSCGKSA-N -1 3 383.416 0.073 20 0 GCADHM Cc1ccnn1CC(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571224710 953150530 /nfs/dbraw/zinc/15/05/30/953150530.db2.gz DSQHQYYBVUXYAU-ZDUSSCGKSA-N -1 3 383.416 0.073 20 0 GCADHM Cc1ncn(C)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571224715 953150550 /nfs/dbraw/zinc/15/05/50/953150550.db2.gz DXBBIICNPCWJBB-QWRGUYRKSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571224715 953150558 /nfs/dbraw/zinc/15/05/58/953150558.db2.gz DXBBIICNPCWJBB-QWRGUYRKSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cnn(CC(=O)N2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)c1 ZINC001571224924 953151243 /nfs/dbraw/zinc/15/12/43/953151243.db2.gz GRYAURCROFNVQG-UHFFFAOYSA-N -1 3 383.416 0.121 20 0 GCADHM Cc1cnn(CC(=O)N2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)c1 ZINC001571224924 953151244 /nfs/dbraw/zinc/15/12/44/953151244.db2.gz GRYAURCROFNVQG-UHFFFAOYSA-N -1 3 383.416 0.121 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3cnon3)C(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001571224877 953151264 /nfs/dbraw/zinc/15/12/64/953151264.db2.gz FUNGEZUMBHNQRY-ZDUSSCGKSA-N -1 3 383.416 0.988 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3cnon3)C(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001571224877 953151265 /nfs/dbraw/zinc/15/12/65/953151265.db2.gz FUNGEZUMBHNQRY-ZDUSSCGKSA-N -1 3 383.416 0.988 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001571225577 953152904 /nfs/dbraw/zinc/15/29/04/953152904.db2.gz KFKUVVZSMSULDY-BXKDBHETSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001571225577 953152906 /nfs/dbraw/zinc/15/29/06/953152906.db2.gz KFKUVVZSMSULDY-BXKDBHETSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571225604 953153376 /nfs/dbraw/zinc/15/33/76/953153376.db2.gz LFEHZNFJQRLTNJ-LLVKDONJSA-N -1 3 383.416 0.108 20 0 GCADHM Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571225604 953153379 /nfs/dbraw/zinc/15/33/79/953153379.db2.gz LFEHZNFJQRLTNJ-LLVKDONJSA-N -1 3 383.416 0.108 20 0 GCADHM Cc1ncn(C)c1C(=O)N(C)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571225881 953154661 /nfs/dbraw/zinc/15/46/61/953154661.db2.gz NKSBBVKECVVYBK-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1ncn(C)c1C(=O)N(C)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571225881 953154663 /nfs/dbraw/zinc/15/46/63/953154663.db2.gz NKSBBVKECVVYBK-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nnn[n-]1 ZINC001571226471 953155809 /nfs/dbraw/zinc/15/58/09/953155809.db2.gz ROLFYHYRZXOEGN-GXSJLCMTSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1nc(N[C@@H]2C[C@H](C)N(C(=O)c3c[nH]c(=O)n3C)C2)ccc1-c1nn[n-]n1 ZINC001571226471 953155812 /nfs/dbraw/zinc/15/58/12/953155812.db2.gz ROLFYHYRZXOEGN-GXSJLCMTSA-N -1 3 383.416 0.724 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001571226608 953155983 /nfs/dbraw/zinc/15/59/83/953155983.db2.gz SQCGOCPTWLNENT-CABZTGNLSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nn(C)cc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001571226608 953155985 /nfs/dbraw/zinc/15/59/85/953155985.db2.gz SQCGOCPTWLNENT-CABZTGNLSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nc(C)c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)[nH]1 ZINC001571226475 953156255 /nfs/dbraw/zinc/15/62/55/953156255.db2.gz RSBDNRNZVTWONM-LLVKDONJSA-N -1 3 383.416 0.427 20 0 GCADHM Cc1nc(C)c(C(=O)NC[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)[nH]1 ZINC001571226475 953156258 /nfs/dbraw/zinc/15/62/58/953156258.db2.gz RSBDNRNZVTWONM-LLVKDONJSA-N -1 3 383.416 0.427 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n(C)n1 ZINC001571226659 953156833 /nfs/dbraw/zinc/15/68/33/953156833.db2.gz UYYSIEVVKCMHFZ-NSHDSACASA-N -1 3 383.416 0.271 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n(C)n1 ZINC001571226659 953156835 /nfs/dbraw/zinc/15/68/35/953156835.db2.gz UYYSIEVVKCMHFZ-NSHDSACASA-N -1 3 383.416 0.271 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)c(C)n3)C2)o1 ZINC001571226977 953157430 /nfs/dbraw/zinc/15/74/30/953157430.db2.gz YECJCPKJYIJJMH-GFCCVEGCSA-N -1 3 383.416 0.765 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)c(C)n3)C2)o1 ZINC001571226977 953157433 /nfs/dbraw/zinc/15/74/33/953157433.db2.gz YECJCPKJYIJJMH-GFCCVEGCSA-N -1 3 383.416 0.765 20 0 GCADHM Cc1nc(NC[C@H]2CN(C(=O)c3ccnn3C)CCO2)ccc1-c1nnn[n-]1 ZINC001571226940 953157670 /nfs/dbraw/zinc/15/76/70/953157670.db2.gz XIRDBXURGZJKNT-LBPRGKRZSA-N -1 3 383.416 0.257 20 0 GCADHM Cc1nc(NC[C@H]2CN(C(=O)c3ccnn3C)CCO2)ccc1-c1nn[n-]n1 ZINC001571226940 953157673 /nfs/dbraw/zinc/15/76/73/953157673.db2.gz XIRDBXURGZJKNT-LBPRGKRZSA-N -1 3 383.416 0.257 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1C ZINC001571227135 953158092 /nfs/dbraw/zinc/15/80/92/953158092.db2.gz ZLKDXLUOZKMOLS-KLPPZKSPSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1ncc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1C ZINC001571227135 953158095 /nfs/dbraw/zinc/15/80/95/953158095.db2.gz ZLKDXLUOZKMOLS-KLPPZKSPSA-N -1 3 383.416 0.175 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571227687 953158238 /nfs/dbraw/zinc/15/82/38/953158238.db2.gz AALIRAPLYQJOMQ-QWRGUYRKSA-N -1 3 383.416 0.399 20 0 GCADHM Cn1cnc(C(=O)N[C@H]2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571227687 953158239 /nfs/dbraw/zinc/15/82/39/953158239.db2.gz AALIRAPLYQJOMQ-QWRGUYRKSA-N -1 3 383.416 0.399 20 0 GCADHM Cc1cnn(CC(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571227159 953158488 /nfs/dbraw/zinc/15/84/88/953158488.db2.gz ZYPSSLQCZHXXIM-ZDUSSCGKSA-N -1 3 383.416 0.121 20 0 GCADHM Cc1cnn(CC(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571227159 953158490 /nfs/dbraw/zinc/15/84/90/953158490.db2.gz ZYPSSLQCZHXXIM-ZDUSSCGKSA-N -1 3 383.416 0.121 20 0 GCADHM Cn1c(C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)cn3)CC2)c[nH]c1=O ZINC001571227738 953158859 /nfs/dbraw/zinc/15/88/59/953158859.db2.gz AYVQHGNOPHNQES-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM Cn1c(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)cn3)CC2)c[nH]c1=O ZINC001571227738 953158862 /nfs/dbraw/zinc/15/88/62/953158862.db2.gz AYVQHGNOPHNQES-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC[C@@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227798 953159631 /nfs/dbraw/zinc/15/96/31/953159631.db2.gz CHYSUMRGWZWDTJ-MNOVXSKESA-N -1 3 383.420 0.057 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC2(C1)CCN(Cc1cnon1)CC2 ZINC001571227857 953161058 /nfs/dbraw/zinc/16/10/58/953161058.db2.gz DLVJUJQDOWJBQD-UHFFFAOYSA-N -1 3 383.416 0.706 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC2(C1)CCN(Cc1cnon1)CC2 ZINC001571227857 953161059 /nfs/dbraw/zinc/16/10/59/953161059.db2.gz DLVJUJQDOWJBQD-UHFFFAOYSA-N -1 3 383.416 0.706 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571228015 953161104 /nfs/dbraw/zinc/16/11/04/953161104.db2.gz GOBIKLZZGFWEJT-JTQLQIEISA-N -1 3 383.420 0.012 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571228015 953161105 /nfs/dbraw/zinc/16/11/05/953161105.db2.gz GOBIKLZZGFWEJT-JTQLQIEISA-N -1 3 383.420 0.012 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571228138 953162215 /nfs/dbraw/zinc/16/22/15/953162215.db2.gz IYGKMOBDYWHJLG-ZYHUDNBSSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571228138 953162219 /nfs/dbraw/zinc/16/22/19/953162219.db2.gz IYGKMOBDYWHJLG-ZYHUDNBSSA-N -1 3 383.416 0.845 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001571228145 953162457 /nfs/dbraw/zinc/16/24/57/953162457.db2.gz JFOIKPSEHQBWFK-MNOVXSKESA-N -1 3 383.420 0.138 20 0 GCADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001571228145 953162458 /nfs/dbraw/zinc/16/24/58/953162458.db2.gz JFOIKPSEHQBWFK-MNOVXSKESA-N -1 3 383.420 0.138 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571228137 953162690 /nfs/dbraw/zinc/16/26/90/953162690.db2.gz IYGKMOBDYWHJLG-PWSUYJOCSA-N -1 3 383.416 0.845 20 0 GCADHM Cc1nonc1CC(=O)N1CC[C@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571228137 953162692 /nfs/dbraw/zinc/16/26/92/953162692.db2.gz IYGKMOBDYWHJLG-PWSUYJOCSA-N -1 3 383.416 0.845 20 0 GCADHM Cn1cc(C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)cn3)CC2)[nH]c1=O ZINC001571228360 953163720 /nfs/dbraw/zinc/16/37/20/953163720.db2.gz NORDEUFIHXEGML-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571228311 953163802 /nfs/dbraw/zinc/16/38/02/953163802.db2.gz NABUYBOIDISWOO-JQWIXIFHSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571228311 953163804 /nfs/dbraw/zinc/16/38/04/953163804.db2.gz NABUYBOIDISWOO-JQWIXIFHSA-N -1 3 383.416 0.257 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228580 953165229 /nfs/dbraw/zinc/16/52/29/953165229.db2.gz SJTOIWMPNPJURT-WDEREUQCSA-N -1 3 383.416 0.175 20 0 GCADHM O=C(Cc1cc[nH]n1)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228580 953165232 /nfs/dbraw/zinc/16/52/32/953165232.db2.gz SJTOIWMPNPJURT-WDEREUQCSA-N -1 3 383.416 0.175 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCC[C@@H](NCc2nc(C3CC3)no2)C1 ZINC001571228557 953165383 /nfs/dbraw/zinc/16/53/83/953165383.db2.gz RNGYDKHDARLMSO-LLVKDONJSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCC[C@@H](NCc2nc(C3CC3)no2)C1 ZINC001571228557 953165384 /nfs/dbraw/zinc/16/53/84/953165384.db2.gz RNGYDKHDARLMSO-LLVKDONJSA-N -1 3 383.416 0.850 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001571228789 953166115 /nfs/dbraw/zinc/16/61/15/953166115.db2.gz VOEQDHJLYQUCLC-DGCLKSJQSA-N -1 3 383.420 0.130 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001571228789 953166116 /nfs/dbraw/zinc/16/61/16/953166116.db2.gz VOEQDHJLYQUCLC-DGCLKSJQSA-N -1 3 383.420 0.130 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571228869 953166983 /nfs/dbraw/zinc/16/69/83/953166983.db2.gz XAEYKZUPHOMLRV-GWCFXTLKSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571228869 953166985 /nfs/dbraw/zinc/16/69/85/953166985.db2.gz XAEYKZUPHOMLRV-GWCFXTLKSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571228871 953167757 /nfs/dbraw/zinc/16/77/57/953167757.db2.gz XAEYKZUPHOMLRV-MFKMUULPSA-N -1 3 383.416 0.257 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571228871 953167759 /nfs/dbraw/zinc/16/77/59/953167759.db2.gz XAEYKZUPHOMLRV-MFKMUULPSA-N -1 3 383.416 0.257 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cn[nH]c1 ZINC001571228879 953167824 /nfs/dbraw/zinc/16/78/24/953167824.db2.gz XMXJLOVDYHJXRB-ZDUSSCGKSA-N -1 3 383.416 0.733 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cn[nH]c1 ZINC001571228879 953167827 /nfs/dbraw/zinc/16/78/27/953167827.db2.gz XMXJLOVDYHJXRB-ZDUSSCGKSA-N -1 3 383.416 0.733 20 0 GCADHM COC(=O)C(C)(C)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001571229803 953172353 /nfs/dbraw/zinc/17/23/53/953172353.db2.gz OCQBGRDLZJLFPQ-UHFFFAOYSA-N -1 3 383.430 0.743 20 0 GCADHM COC(=O)C(C)(C)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001571229803 953172355 /nfs/dbraw/zinc/17/23/55/953172355.db2.gz OCQBGRDLZJLFPQ-UHFFFAOYSA-N -1 3 383.430 0.743 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571230633 953178975 /nfs/dbraw/zinc/17/89/75/953178975.db2.gz ZADSWTDIYFHQAT-XYPYZODXSA-N -1 3 383.420 0.484 20 0 GCADHM O=C(c1cnsn1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571230978 953181871 /nfs/dbraw/zinc/18/18/71/953181871.db2.gz OWJIUAJPQWEQOV-MNOVXSKESA-N -1 3 383.441 0.712 20 0 GCADHM O=C(c1cnsn1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571230978 953181873 /nfs/dbraw/zinc/18/18/73/953181873.db2.gz OWJIUAJPQWEQOV-MNOVXSKESA-N -1 3 383.441 0.712 20 0 GCADHM O=C(c1csnn1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571230951 953182231 /nfs/dbraw/zinc/18/22/31/953182231.db2.gz NZNRYELJDPGUIT-WCQYABFASA-N -1 3 383.441 0.854 20 0 GCADHM O=C(c1csnn1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571230951 953182232 /nfs/dbraw/zinc/18/22/32/953182232.db2.gz NZNRYELJDPGUIT-WCQYABFASA-N -1 3 383.441 0.854 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571231022 953182669 /nfs/dbraw/zinc/18/26/69/953182669.db2.gz QFYAHZUBILQWND-YCCFLXJFSA-N -1 3 383.456 0.936 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571231022 953182670 /nfs/dbraw/zinc/18/26/70/953182670.db2.gz QFYAHZUBILQWND-YCCFLXJFSA-N -1 3 383.456 0.936 20 0 GCADHM CCOC1CC(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)ccc4-c4nnn[n-]4)C[C@H]32)C1 ZINC001571231102 953183164 /nfs/dbraw/zinc/18/31/64/953183164.db2.gz SFFXTIKKWOVLFE-CTSSKEJSSA-N -1 3 383.456 0.936 20 0 GCADHM CCOC1CC(C(=O)N[C@@H]2[C@H]3CN(c4nc(C)ccc4-c4nn[n-]n4)C[C@H]32)C1 ZINC001571231102 953183166 /nfs/dbraw/zinc/18/31/66/953183166.db2.gz SFFXTIKKWOVLFE-CTSSKEJSSA-N -1 3 383.456 0.936 20 0 GCADHM O=C(c1cnns1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571231438 953183964 /nfs/dbraw/zinc/18/39/64/953183964.db2.gz WSLBEPWIXRTMHQ-INIZCTEOSA-N -1 3 383.441 0.856 20 0 GCADHM O=C(c1cnns1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571231438 953183966 /nfs/dbraw/zinc/18/39/66/953183966.db2.gz WSLBEPWIXRTMHQ-INIZCTEOSA-N -1 3 383.441 0.856 20 0 GCADHM C[C@]1(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)CCC(=O)NC1 ZINC001571231259 953184173 /nfs/dbraw/zinc/18/41/73/953184173.db2.gz WEBOTSRMOFSLCU-IBGZPJMESA-N -1 3 383.456 0.427 20 0 GCADHM C[C@]1(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)CCC(=O)NC1 ZINC001571231259 953184175 /nfs/dbraw/zinc/18/41/75/953184175.db2.gz WEBOTSRMOFSLCU-IBGZPJMESA-N -1 3 383.456 0.427 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571231489 953184759 /nfs/dbraw/zinc/18/47/59/953184759.db2.gz YDSXGMSVXMJRSA-NJSLBKSFSA-N -1 3 383.456 0.973 20 0 GCADHM CN(C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571231489 953184763 /nfs/dbraw/zinc/18/47/63/953184763.db2.gz YDSXGMSVXMJRSA-NJSLBKSFSA-N -1 3 383.456 0.973 20 0 GCADHM O=C(CC1(O)CCC1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571233654 953194845 /nfs/dbraw/zinc/19/48/45/953194845.db2.gz ZLQQBAYWXSWTML-GOSISDBHSA-N -1 3 383.456 0.996 20 0 GCADHM O=C(CC1(O)CCC1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571233654 953194848 /nfs/dbraw/zinc/19/48/48/953194848.db2.gz ZLQQBAYWXSWTML-GOSISDBHSA-N -1 3 383.456 0.996 20 0 GCADHM Cn1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C(C)(C)C2)n1 ZINC001571234007 953198590 /nfs/dbraw/zinc/19/85/90/953198590.db2.gz KJFXNXBSZHYUPT-OAHLLOKOSA-N -1 3 383.460 0.959 20 0 GCADHM Cn1ccc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C(C)(C)C2)n1 ZINC001571234007 953198591 /nfs/dbraw/zinc/19/85/91/953198591.db2.gz KJFXNXBSZHYUPT-OAHLLOKOSA-N -1 3 383.460 0.959 20 0 GCADHM COC(=O)C12CC(C1)CN2S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571234861 953205853 /nfs/dbraw/zinc/20/58/53/953205853.db2.gz KXPHVSFLFVWLPB-UHFFFAOYSA-N -1 3 383.817 0.846 20 0 GCADHM COC(=O)C12CC(C1)CN2S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571234861 953205855 /nfs/dbraw/zinc/20/58/55/953205855.db2.gz KXPHVSFLFVWLPB-UHFFFAOYSA-N -1 3 383.817 0.846 20 0 GCADHM Cn1cc([C@H](O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)cn1 ZINC001571234832 953206161 /nfs/dbraw/zinc/20/61/61/953206161.db2.gz JYVAVFATECLAKX-SNVBAGLBSA-N -1 3 383.821 0.266 20 0 GCADHM Cn1cc([C@H](O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)cn1 ZINC001571234832 953206165 /nfs/dbraw/zinc/20/61/65/953206165.db2.gz JYVAVFATECLAKX-SNVBAGLBSA-N -1 3 383.821 0.266 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001571235247 953210891 /nfs/dbraw/zinc/21/08/91/953210891.db2.gz YIUPCJVZDBLSIK-CHWSQXEVSA-N -1 3 384.362 0.712 20 0 GCADHM O=C(NC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)c1cnc[nH]c1=O ZINC001571235351 953211576 /nfs/dbraw/zinc/21/15/76/953211576.db2.gz AYVJRQQJTXNFES-UHFFFAOYSA-N -1 3 384.375 0.900 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)c1cncc(F)c1 ZINC001571235389 953212128 /nfs/dbraw/zinc/21/21/28/953212128.db2.gz CCKUEARVBPWISP-CYBMUJFWSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)c1cncc(F)c1 ZINC001571235389 953212129 /nfs/dbraw/zinc/21/21/29/953212129.db2.gz CCKUEARVBPWISP-CYBMUJFWSA-N -1 3 384.375 0.431 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2nocc2C)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571235428 953212330 /nfs/dbraw/zinc/21/23/30/953212330.db2.gz DPJIIWBDONALLG-WCQYABFASA-N -1 3 384.400 0.914 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2nocc2C)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571235428 953212332 /nfs/dbraw/zinc/21/23/32/953212332.db2.gz DPJIIWBDONALLG-WCQYABFASA-N -1 3 384.400 0.914 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571235516 953212768 /nfs/dbraw/zinc/21/27/68/953212768.db2.gz HCRNYDSARWXFTF-MNOVXSKESA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC001571235516 953212770 /nfs/dbraw/zinc/21/27/70/953212770.db2.gz HCRNYDSARWXFTF-MNOVXSKESA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCCN1C(=O)c1cnco1 ZINC001571235445 953212895 /nfs/dbraw/zinc/21/28/95/953212895.db2.gz FGTDJJGDVHAEQJ-GWCFXTLKSA-N -1 3 384.400 0.996 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCCN1C(=O)c1cnco1 ZINC001571235445 953212899 /nfs/dbraw/zinc/21/28/99/953212899.db2.gz FGTDJJGDVHAEQJ-GWCFXTLKSA-N -1 3 384.400 0.996 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)c2ncccc2F)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571235484 953213011 /nfs/dbraw/zinc/21/30/11/953213011.db2.gz GKPQPHXSPXSKIK-HOMQSWHASA-N -1 3 384.375 0.667 20 0 GCADHM O=C(NC[C@H]1C[C@H](NC(=O)c2ncccc2F)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571235484 953213013 /nfs/dbraw/zinc/21/30/13/953213013.db2.gz GKPQPHXSPXSKIK-HOMQSWHASA-N -1 3 384.375 0.667 20 0 GCADHM O=C(c1cn[nH]c(=O)c1)N1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001571235535 953213656 /nfs/dbraw/zinc/21/36/56/953213656.db2.gz HQAPHCMGLDBKAC-UHFFFAOYSA-N -1 3 384.375 0.459 20 0 GCADHM O=C(c1cn[nH]c(=O)c1)N1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001571235535 953213659 /nfs/dbraw/zinc/21/36/59/953213659.db2.gz HQAPHCMGLDBKAC-UHFFFAOYSA-N -1 3 384.375 0.459 20 0 GCADHM CCc1nocc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235679 953214123 /nfs/dbraw/zinc/21/41/23/953214123.db2.gz NCPAWSWKWFLMDB-AOOOYVTPSA-N -1 3 384.400 0.684 20 0 GCADHM CCc1nocc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235679 953214124 /nfs/dbraw/zinc/21/41/24/953214124.db2.gz NCPAWSWKWFLMDB-AOOOYVTPSA-N -1 3 384.400 0.684 20 0 GCADHM CCc1nocc1C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235617 953214224 /nfs/dbraw/zinc/21/42/24/953214224.db2.gz KYJMXOLIXCSLHD-UHFFFAOYSA-N -1 3 384.400 0.684 20 0 GCADHM CCc1nocc1C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235617 953214228 /nfs/dbraw/zinc/21/42/28/953214228.db2.gz KYJMXOLIXCSLHD-UHFFFAOYSA-N -1 3 384.400 0.684 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1NC(=O)c1conc1C ZINC001571235614 953214332 /nfs/dbraw/zinc/21/43/32/953214332.db2.gz KVALFSXKZGWATB-ZIAGYGMSSA-N -1 3 384.400 0.500 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1NC(=O)c1conc1C ZINC001571235614 953214334 /nfs/dbraw/zinc/21/43/34/953214334.db2.gz KVALFSXKZGWATB-ZIAGYGMSSA-N -1 3 384.400 0.500 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1cnco1 ZINC001571235680 953214533 /nfs/dbraw/zinc/21/45/33/953214533.db2.gz NDGQGSGMMIITCB-GFCCVEGCSA-N -1 3 384.400 0.950 20 0 GCADHM CN(C[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1cnco1 ZINC001571235680 953214535 /nfs/dbraw/zinc/21/45/35/953214535.db2.gz NDGQGSGMMIITCB-GFCCVEGCSA-N -1 3 384.400 0.950 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)on1 ZINC001571235604 953214624 /nfs/dbraw/zinc/21/46/24/953214624.db2.gz KPPVSCMXXUFHQN-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)on1 ZINC001571235604 953214628 /nfs/dbraw/zinc/21/46/28/953214628.db2.gz KPPVSCMXXUFHQN-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM NC(=O)c1cc(C(=O)N2CC[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)c[nH]1 ZINC001571235709 953214794 /nfs/dbraw/zinc/21/47/94/953214794.db2.gz OJRQDFDVQWGGJP-JTQLQIEISA-N -1 3 384.375 0.759 20 0 GCADHM NC(=O)c1cc(C(=O)N2CC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)c[nH]1 ZINC001571235709 953214798 /nfs/dbraw/zinc/21/47/98/953214798.db2.gz OJRQDFDVQWGGJP-JTQLQIEISA-N -1 3 384.375 0.759 20 0 GCADHM O=C(CCNC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1)Nc1ncc[nH]1 ZINC001571235697 953214817 /nfs/dbraw/zinc/21/48/17/953214817.db2.gz NXNJINOQSAHKNT-UHFFFAOYSA-N -1 3 384.375 0.906 20 0 GCADHM O=C(CCNC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1)Nc1ncc[nH]1 ZINC001571235697 953214822 /nfs/dbraw/zinc/21/48/22/953214822.db2.gz NXNJINOQSAHKNT-UHFFFAOYSA-N -1 3 384.375 0.906 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccc(F)cn1 ZINC001571235698 953215019 /nfs/dbraw/zinc/21/50/19/953215019.db2.gz NXOSMOFHCMVAOK-JTQLQIEISA-N -1 3 384.375 0.621 20 0 GCADHM O=C(NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccc(F)cn1 ZINC001571235698 953215023 /nfs/dbraw/zinc/21/50/23/953215023.db2.gz NXOSMOFHCMVAOK-JTQLQIEISA-N -1 3 384.375 0.621 20 0 GCADHM Cn1nc(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)ccc1=O ZINC001571235743 953215213 /nfs/dbraw/zinc/21/52/13/953215213.db2.gz PEHBXEVXLJNPBV-SNVBAGLBSA-N -1 3 384.375 0.108 20 0 GCADHM Cn1nc(C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)ccc1=O ZINC001571235743 953215218 /nfs/dbraw/zinc/21/52/18/953215218.db2.gz PEHBXEVXLJNPBV-SNVBAGLBSA-N -1 3 384.375 0.108 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)c1ccc(F)cn1 ZINC001571235908 953215742 /nfs/dbraw/zinc/21/57/42/953215742.db2.gz RBZLRGDQLXOSAC-CYBMUJFWSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)c1ccc(F)cn1 ZINC001571235908 953215743 /nfs/dbraw/zinc/21/57/43/953215743.db2.gz RBZLRGDQLXOSAC-CYBMUJFWSA-N -1 3 384.375 0.431 20 0 GCADHM O=C(Cc1ccc(F)cn1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235888 953215887 /nfs/dbraw/zinc/21/58/87/953215887.db2.gz QSWGOITWVZAAIS-CYBMUJFWSA-N -1 3 384.375 0.302 20 0 GCADHM O=C(Cc1ccc(F)cn1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235888 953215889 /nfs/dbraw/zinc/21/58/89/953215889.db2.gz QSWGOITWVZAAIS-CYBMUJFWSA-N -1 3 384.375 0.302 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1ccncc1F ZINC001571235902 953215938 /nfs/dbraw/zinc/21/59/38/953215938.db2.gz QWPKKCQZJMXEFH-ZIAGYGMSSA-N -1 3 384.375 0.165 20 0 GCADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1ccncc1F ZINC001571235902 953215941 /nfs/dbraw/zinc/21/59/41/953215941.db2.gz QWPKKCQZJMXEFH-ZIAGYGMSSA-N -1 3 384.375 0.165 20 0 GCADHM COCc1nocc1C(=O)N1C[C@H](C)[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571235922 953216229 /nfs/dbraw/zinc/21/62/29/953216229.db2.gz RMDCIZFFNRUQGR-GXFFZTMASA-N -1 3 384.400 0.969 20 0 GCADHM COCc1nocc1C(=O)N1C[C@H](C)[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571235922 953216231 /nfs/dbraw/zinc/21/62/31/953216231.db2.gz RMDCIZFFNRUQGR-GXFFZTMASA-N -1 3 384.400 0.969 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1ncccc1F ZINC001571236193 953216847 /nfs/dbraw/zinc/21/68/47/953216847.db2.gz USAQIKSFEBLBHC-GXTWGEPZSA-N -1 3 384.375 0.165 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1ncccc1F ZINC001571236193 953216849 /nfs/dbraw/zinc/21/68/49/953216849.db2.gz USAQIKSFEBLBHC-GXTWGEPZSA-N -1 3 384.375 0.165 20 0 GCADHM COCc1cc(C(=O)N2CCN(c3nc(C)ccc3-c3nnn[n-]3)CC2)no1 ZINC001571236342 953217132 /nfs/dbraw/zinc/21/71/32/953217132.db2.gz WVLLEKJWRCHAEO-UHFFFAOYSA-N -1 3 384.400 0.667 20 0 GCADHM COCc1cc(C(=O)N2CCN(c3nc(C)ccc3-c3nn[n-]n3)CC2)no1 ZINC001571236342 953217136 /nfs/dbraw/zinc/21/71/36/953217136.db2.gz WVLLEKJWRCHAEO-UHFFFAOYSA-N -1 3 384.400 0.667 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)c2ccc(F)cn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571236334 953217536 /nfs/dbraw/zinc/21/75/36/953217536.db2.gz WPCPPMPOKQYOTI-WVSHTKLVSA-N -1 3 384.375 0.667 20 0 GCADHM O=C(N[C@H]1C[C@@H](CNC(=O)c2ccc(F)cn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571236334 953217539 /nfs/dbraw/zinc/21/75/39/953217539.db2.gz WPCPPMPOKQYOTI-WVSHTKLVSA-N -1 3 384.375 0.667 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571236632 953218138 /nfs/dbraw/zinc/21/81/38/953218138.db2.gz AGPWQMDAXXXNRP-GXFFZTMASA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ncoc1C(=O)N1CCO[C@@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571236632 953218140 /nfs/dbraw/zinc/21/81/40/953218140.db2.gz AGPWQMDAXXXNRP-GXFFZTMASA-N -1 3 384.400 0.900 20 0 GCADHM CCOc1nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)co1 ZINC001571236430 953218362 /nfs/dbraw/zinc/21/83/62/953218362.db2.gz ZRNYZSRDYODPPH-LLVKDONJSA-N -1 3 384.400 0.966 20 0 GCADHM CCOc1nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)co1 ZINC001571236430 953218366 /nfs/dbraw/zinc/21/83/66/953218366.db2.gz ZRNYZSRDYODPPH-LLVKDONJSA-N -1 3 384.400 0.966 20 0 GCADHM Cc1nocc1C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571236913 953218584 /nfs/dbraw/zinc/21/85/84/953218584.db2.gz CWVGGMZARBITMB-LLVKDONJSA-N -1 3 384.400 0.773 20 0 GCADHM Cc1nocc1C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571236913 953218586 /nfs/dbraw/zinc/21/85/86/953218586.db2.gz CWVGGMZARBITMB-LLVKDONJSA-N -1 3 384.400 0.773 20 0 GCADHM Cc1ncoc1C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571236902 953218800 /nfs/dbraw/zinc/21/88/00/953218800.db2.gz CUTJVBNHYJGEQL-KRWDZBQOSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1ncoc1C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571236902 953218801 /nfs/dbraw/zinc/21/88/01/953218801.db2.gz CUTJVBNHYJGEQL-KRWDZBQOSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1noc(C)c1CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571236714 953218822 /nfs/dbraw/zinc/21/88/22/953218822.db2.gz CAEHCNQSPFLDIS-NSHDSACASA-N -1 3 384.400 0.373 20 0 GCADHM Cc1noc(C)c1CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571236714 953218826 /nfs/dbraw/zinc/21/88/26/953218826.db2.gz CAEHCNQSPFLDIS-NSHDSACASA-N -1 3 384.400 0.373 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@@H]2C)no1 ZINC001571236726 953218922 /nfs/dbraw/zinc/21/89/22/953218922.db2.gz CFLNQCISHUYRIY-JOYOIKCWSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)N2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@@H]2C)no1 ZINC001571236726 953218925 /nfs/dbraw/zinc/21/89/25/953218925.db2.gz CFLNQCISHUYRIY-JOYOIKCWSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1onc(CO)c1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571236907 953219082 /nfs/dbraw/zinc/21/90/82/953219082.db2.gz CUWODIBABHGYHD-GFCCVEGCSA-N -1 3 384.400 0.767 20 0 GCADHM Cc1onc(CO)c1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571236907 953219084 /nfs/dbraw/zinc/21/90/84/953219084.db2.gz CUWODIBABHGYHD-GFCCVEGCSA-N -1 3 384.400 0.767 20 0 GCADHM Cc1cnoc1C(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571237019 953219485 /nfs/dbraw/zinc/21/94/85/953219485.db2.gz FIIYENORPZVWES-SMDDNHRTSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1cnoc1C(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571237019 953219488 /nfs/dbraw/zinc/21/94/88/953219488.db2.gz FIIYENORPZVWES-SMDDNHRTSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ncoc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1O ZINC001571236974 953219662 /nfs/dbraw/zinc/21/96/62/953219662.db2.gz DJVHWUFXTIUFPT-OLZOCXBDSA-N -1 3 384.400 0.236 20 0 GCADHM Cc1ncoc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001571236974 953219665 /nfs/dbraw/zinc/21/96/65/953219665.db2.gz DJVHWUFXTIUFPT-OLZOCXBDSA-N -1 3 384.400 0.236 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCCN1C(=O)c1cn[nH]n1 ZINC001571237004 953219682 /nfs/dbraw/zinc/21/96/82/953219682.db2.gz FCDCJVXLKIVYAI-ZANVPECISA-N -1 3 384.404 0.126 20 0 GCADHM Cc1noc(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1C ZINC001571237014 953219809 /nfs/dbraw/zinc/21/98/09/953219809.db2.gz FHTPWTZJURWRLG-UHFFFAOYSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1noc(C(=O)NCC2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1C ZINC001571237014 953219811 /nfs/dbraw/zinc/21/98/11/953219811.db2.gz FHTPWTZJURWRLG-UHFFFAOYSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571236965 953219881 /nfs/dbraw/zinc/21/98/81/953219881.db2.gz DIUPXQPQMLMRIL-ZYHUDNBSSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571236965 953219883 /nfs/dbraw/zinc/21/98/83/953219883.db2.gz DIUPXQPQMLMRIL-ZYHUDNBSSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1ncoc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1O ZINC001571236976 953219917 /nfs/dbraw/zinc/21/99/17/953219917.db2.gz DJVHWUFXTIUFPT-STQMWFEESA-N -1 3 384.400 0.236 20 0 GCADHM Cc1ncoc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001571236976 953219920 /nfs/dbraw/zinc/21/99/20/953219920.db2.gz DJVHWUFXTIUFPT-STQMWFEESA-N -1 3 384.400 0.236 20 0 GCADHM Cc1cc2c(cc1-c1nnn[n-]1)[nH]nc2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001571237021 953219968 /nfs/dbraw/zinc/21/99/68/953219968.db2.gz FJOSCNNFIRQNDA-RNCFNFMXSA-N -1 3 384.400 0.803 20 0 GCADHM Cc1cc2c(cc1-c1nn[n-]n1)[nH]nc2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001571237021 953219971 /nfs/dbraw/zinc/21/99/71/953219971.db2.gz FJOSCNNFIRQNDA-RNCFNFMXSA-N -1 3 384.400 0.803 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)o1 ZINC001571237171 953220474 /nfs/dbraw/zinc/22/04/74/953220474.db2.gz GCEFMGPVBVYQSR-CABZTGNLSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1nc(C)c(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)o1 ZINC001571237171 953220479 /nfs/dbraw/zinc/22/04/79/953220479.db2.gz GCEFMGPVBVYQSR-CABZTGNLSA-N -1 3 384.400 0.833 20 0 GCADHM Cc1conc1C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571237462 953221231 /nfs/dbraw/zinc/22/12/31/953221231.db2.gz IBPKXDBMQMHSDX-LLVKDONJSA-N -1 3 384.400 0.773 20 0 GCADHM Cc1conc1C(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571237462 953221235 /nfs/dbraw/zinc/22/12/35/953221235.db2.gz IBPKXDBMQMHSDX-LLVKDONJSA-N -1 3 384.400 0.773 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571237481 953221352 /nfs/dbraw/zinc/22/13/52/953221352.db2.gz ITNSIFSSFSMJRQ-GFCCVEGCSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1nocc1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571237481 953221353 /nfs/dbraw/zinc/22/13/53/953221353.db2.gz ITNSIFSSFSMJRQ-GFCCVEGCSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1nc(C(=O)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c(C)o1 ZINC001571237474 953221445 /nfs/dbraw/zinc/22/14/45/953221445.db2.gz ILXDRMGMKFHGCQ-MRVPVSSYSA-N -1 3 384.400 0.690 20 0 GCADHM Cc1nc(C(=O)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c(C)o1 ZINC001571237474 953221448 /nfs/dbraw/zinc/22/14/48/953221448.db2.gz ILXDRMGMKFHGCQ-MRVPVSSYSA-N -1 3 384.400 0.690 20 0 GCADHM COc1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)on1 ZINC001571237510 953222546 /nfs/dbraw/zinc/22/25/46/953222546.db2.gz JHZKPHXTFHKFSE-KRWDZBQOSA-N -1 3 384.400 0.966 20 0 GCADHM COc1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)on1 ZINC001571237510 953222549 /nfs/dbraw/zinc/22/25/49/953222549.db2.gz JHZKPHXTFHKFSE-KRWDZBQOSA-N -1 3 384.400 0.966 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nnn[n-]4)cn3)C2)co1 ZINC001571237902 953222842 /nfs/dbraw/zinc/22/28/42/953222842.db2.gz NKAOUAAJMNCPMO-QGZVFWFLSA-N -1 3 384.400 0.637 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[n-]n4)cn3)C2)co1 ZINC001571237902 953222844 /nfs/dbraw/zinc/22/28/44/953222844.db2.gz NKAOUAAJMNCPMO-QGZVFWFLSA-N -1 3 384.400 0.637 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@]2(C1)CN(Cc1ccon1)CCO2 ZINC001571237720 953222886 /nfs/dbraw/zinc/22/28/86/953222886.db2.gz MPZJYGPKORUOQF-QGZVFWFLSA-N -1 3 384.400 0.300 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@]2(C1)CN(Cc1ccon1)CCO2 ZINC001571237720 953222889 /nfs/dbraw/zinc/22/28/89/953222889.db2.gz MPZJYGPKORUOQF-QGZVFWFLSA-N -1 3 384.400 0.300 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571237892 953222963 /nfs/dbraw/zinc/22/29/63/953222963.db2.gz NGVYLVJOFKAFTH-NSHDSACASA-N -1 3 384.400 0.916 20 0 GCADHM Cc1cnoc1C(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571237892 953222966 /nfs/dbraw/zinc/22/29/66/953222966.db2.gz NGVYLVJOFKAFTH-NSHDSACASA-N -1 3 384.400 0.916 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001571237883 953223118 /nfs/dbraw/zinc/22/31/18/953223118.db2.gz NBTJLHUNVSHXRQ-CMPLNLGQSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001571237883 953223119 /nfs/dbraw/zinc/22/31/19/953223119.db2.gz NBTJLHUNVSHXRQ-CMPLNLGQSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1C ZINC001571237886 953223399 /nfs/dbraw/zinc/22/33/99/953223399.db2.gz NBTJLHUNVSHXRQ-ZYHUDNBSSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001571237886 953223403 /nfs/dbraw/zinc/22/34/03/953223403.db2.gz NBTJLHUNVSHXRQ-ZYHUDNBSSA-N -1 3 384.400 0.914 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571237982 953223716 /nfs/dbraw/zinc/22/37/16/953223716.db2.gz PSNHAVIIQPUJQR-HUUCEWRRSA-N -1 3 384.400 0.035 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(C3CC3)no2)C[C@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571237982 953223719 /nfs/dbraw/zinc/22/37/19/953223719.db2.gz PSNHAVIIQPUJQR-HUUCEWRRSA-N -1 3 384.400 0.035 20 0 GCADHM Cc1noc(C)c1C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571237986 953223841 /nfs/dbraw/zinc/22/38/41/953223841.db2.gz PYMYUJMXQKXWIC-LBPRGKRZSA-N -1 3 384.400 0.786 20 0 GCADHM Cc1noc(C)c1C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571237986 953223842 /nfs/dbraw/zinc/22/38/42/953223842.db2.gz PYMYUJMXQKXWIC-LBPRGKRZSA-N -1 3 384.400 0.786 20 0 GCADHM Cc1conc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001571237971 953224176 /nfs/dbraw/zinc/22/41/76/953224176.db2.gz PICRHCLBQWJEST-PWSUYJOCSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1conc1C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001571237971 953224179 /nfs/dbraw/zinc/22/41/79/953224179.db2.gz PICRHCLBQWJEST-PWSUYJOCSA-N -1 3 384.400 0.914 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCCN1C(=O)c1nc[nH]n1 ZINC001571238111 953225358 /nfs/dbraw/zinc/22/53/58/953225358.db2.gz UKKVTSNVYDYYFJ-JOYOIKCWSA-N -1 3 384.404 0.126 20 0 GCADHM Cc1nocc1C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238093 953225364 /nfs/dbraw/zinc/22/53/64/953225364.db2.gz TYCZAOCWUCQLPJ-LBPRGKRZSA-N -1 3 384.400 0.916 20 0 GCADHM Cc1nocc1C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238093 953225368 /nfs/dbraw/zinc/22/53/68/953225368.db2.gz TYCZAOCWUCQLPJ-LBPRGKRZSA-N -1 3 384.400 0.916 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCCN1C(=O)c1nc[nH]n1 ZINC001571238110 953225715 /nfs/dbraw/zinc/22/57/15/953225715.db2.gz UKKVTSNVYDYYFJ-CABZTGNLSA-N -1 3 384.404 0.126 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cocn1 ZINC001571238144 953225720 /nfs/dbraw/zinc/22/57/20/953225720.db2.gz VKLJZWIXZQLGKG-LLVKDONJSA-N -1 3 384.400 0.998 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cocn1 ZINC001571238144 953225723 /nfs/dbraw/zinc/22/57/23/953225723.db2.gz VKLJZWIXZQLGKG-LLVKDONJSA-N -1 3 384.400 0.998 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnco1 ZINC001571238260 953227460 /nfs/dbraw/zinc/22/74/60/953227460.db2.gz YFJAIBGIPZKDIZ-GFCCVEGCSA-N -1 3 384.400 0.998 20 0 GCADHM O=C(N[C@@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnco1 ZINC001571238260 953227462 /nfs/dbraw/zinc/22/74/62/953227462.db2.gz YFJAIBGIPZKDIZ-GFCCVEGCSA-N -1 3 384.400 0.998 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnco1 ZINC001571238261 953227538 /nfs/dbraw/zinc/22/75/38/953227538.db2.gz YFJAIBGIPZKDIZ-LBPRGKRZSA-N -1 3 384.400 0.998 20 0 GCADHM O=C(N[C@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnco1 ZINC001571238261 953227540 /nfs/dbraw/zinc/22/75/40/953227540.db2.gz YFJAIBGIPZKDIZ-LBPRGKRZSA-N -1 3 384.400 0.998 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1C ZINC001571238293 953227556 /nfs/dbraw/zinc/22/75/56/953227556.db2.gz YUVYGHREONGKKD-MNOVXSKESA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C ZINC001571238293 953227559 /nfs/dbraw/zinc/22/75/59/953227559.db2.gz YUVYGHREONGKKD-MNOVXSKESA-N -1 3 384.400 0.914 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)[nH]c1=O ZINC001571238377 953228049 /nfs/dbraw/zinc/22/80/49/953228049.db2.gz AVYJBUBIHDEYDJ-VHSXEESVSA-N -1 3 384.404 0.106 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)no1 ZINC001571238323 953228486 /nfs/dbraw/zinc/22/84/86/953228486.db2.gz ZSCCEYUAPFNMEM-JQWIXIFHSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)no1 ZINC001571238323 953228489 /nfs/dbraw/zinc/22/84/89/953228489.db2.gz ZSCCEYUAPFNMEM-JQWIXIFHSA-N -1 3 384.400 0.914 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@H](C)C2)C1 ZINC001571241469 953246343 /nfs/dbraw/zinc/24/63/43/953246343.db2.gz AGQGYNMPHMIGIG-ABAIWWIYSA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@H](C)C2)C1 ZINC001571241469 953246346 /nfs/dbraw/zinc/24/63/46/953246346.db2.gz AGQGYNMPHMIGIG-ABAIWWIYSA-N -1 3 384.444 0.389 20 0 GCADHM O=C(c1cscn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571241705 953248903 /nfs/dbraw/zinc/24/89/03/953248903.db2.gz JJHKSGYYHSPEFJ-TVQRCGJNSA-N -1 3 384.425 0.638 20 0 GCADHM O=C(c1cscn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571241705 953248905 /nfs/dbraw/zinc/24/89/05/953248905.db2.gz JJHKSGYYHSPEFJ-TVQRCGJNSA-N -1 3 384.425 0.638 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@](C)(CNc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571241711 953249086 /nfs/dbraw/zinc/24/90/86/953249086.db2.gz JMOFACZRJUQIFW-SFHVURJKSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@](C)(CNc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571241711 953249088 /nfs/dbraw/zinc/24/90/88/953249088.db2.gz JMOFACZRJUQIFW-SFHVURJKSA-N -1 3 384.444 0.391 20 0 GCADHM Cn1cc(CC(=O)N[C@H]2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)cn1 ZINC001571242048 953252242 /nfs/dbraw/zinc/25/22/42/953252242.db2.gz UQTQHVSNFRCAGM-HNNXBMFYSA-N -1 3 384.419 0.673 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242038 953252625 /nfs/dbraw/zinc/25/26/25/953252625.db2.gz TZUVFQNRHHTDLH-WCQYABFASA-N -1 3 384.444 0.389 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242038 953252628 /nfs/dbraw/zinc/25/26/28/953252628.db2.gz TZUVFQNRHHTDLH-WCQYABFASA-N -1 3 384.444 0.389 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)CCN1c1ncccc1-c1nnn[n-]1 ZINC001571242119 953253321 /nfs/dbraw/zinc/25/33/21/953253321.db2.gz BKEGTXWSDANRLO-DYEKYZERSA-N -1 3 384.444 0.214 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)CCN1c1ncccc1-c1nn[n-]n1 ZINC001571242119 953253323 /nfs/dbraw/zinc/25/33/23/953253323.db2.gz BKEGTXWSDANRLO-DYEKYZERSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571242129 953253362 /nfs/dbraw/zinc/25/33/62/953253362.db2.gz BPWFTKLZXVBXLK-HUUCEWRRSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571242129 953253364 /nfs/dbraw/zinc/25/33/64/953253364.db2.gz BPWFTKLZXVBXLK-HUUCEWRRSA-N -1 3 384.444 0.215 20 0 GCADHM Cc1ccc(S(=O)(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1C(N)=O ZINC001571242158 953253761 /nfs/dbraw/zinc/25/37/61/953253761.db2.gz VYEQPSRGXOQGJB-UHFFFAOYSA-N -1 3 384.421 0.979 20 0 GCADHM Cc1ccc(S(=O)(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1C(N)=O ZINC001571242158 953253762 /nfs/dbraw/zinc/25/37/62/953253762.db2.gz VYEQPSRGXOQGJB-UHFFFAOYSA-N -1 3 384.421 0.979 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001571242300 953255854 /nfs/dbraw/zinc/25/58/54/953255854.db2.gz CSUMYXHXHJOZLS-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 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/nfs/dbraw/zinc/25/65/29/953256529.db2.gz GFFWXUMOIPAOBE-JSGCOSHPSA-N -1 3 384.444 0.676 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCN1CCCC1=O ZINC001571242438 953256532 /nfs/dbraw/zinc/25/65/32/953256532.db2.gz GFFWXUMOIPAOBE-JSGCOSHPSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571242522 953256722 /nfs/dbraw/zinc/25/67/22/953256722.db2.gz IELCMZUDVXDJFK-ZIAGYGMSSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571242522 953256725 /nfs/dbraw/zinc/25/67/25/953256725.db2.gz IELCMZUDVXDJFK-ZIAGYGMSSA-N -1 3 384.444 0.676 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1)c1ncccc1-c1nnn[n-]1 ZINC001571242498 953257046 /nfs/dbraw/zinc/25/70/46/953257046.db2.gz HXVHOHWHBJGIBP-CHWSQXEVSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1)c1ncccc1-c1nn[n-]n1 ZINC001571242498 953257047 /nfs/dbraw/zinc/25/70/47/953257047.db2.gz HXVHOHWHBJGIBP-CHWSQXEVSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001571242467 953257299 /nfs/dbraw/zinc/25/72/99/953257299.db2.gz HDFQLNHTSRATBD-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001571242467 953257303 /nfs/dbraw/zinc/25/73/03/953257303.db2.gz HDFQLNHTSRATBD-SCLBCKFNSA-N -1 3 384.444 0.581 20 0 GCADHM CN1CC[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CC1=O ZINC001571242539 953258022 /nfs/dbraw/zinc/25/80/22/953258022.db2.gz IMPKSVUAVPCTEN-SGMGOOAPSA-N -1 3 384.444 0.437 20 0 GCADHM CN1CC[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CC1=O ZINC001571242539 953258025 /nfs/dbraw/zinc/25/80/25/953258025.db2.gz IMPKSVUAVPCTEN-SGMGOOAPSA-N -1 3 384.444 0.437 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001571242669 953258704 /nfs/dbraw/zinc/25/87/04/953258704.db2.gz LGDKDAYTYHCQQE-OLZOCXBDSA-N -1 3 384.444 0.167 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001571242669 953258706 /nfs/dbraw/zinc/25/87/06/953258706.db2.gz LGDKDAYTYHCQQE-OLZOCXBDSA-N -1 3 384.444 0.167 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001571242655 953258725 /nfs/dbraw/zinc/25/87/25/953258725.db2.gz LAGJDHRLHRMBGY-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001571242655 953258728 /nfs/dbraw/zinc/25/87/28/953258728.db2.gz LAGJDHRLHRMBGY-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571242651 953258994 /nfs/dbraw/zinc/25/89/94/953258994.db2.gz KYYVOQCCWHPXSP-JSGCOSHPSA-N -1 3 384.444 0.533 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571242651 953258996 /nfs/dbraw/zinc/25/89/96/953258996.db2.gz KYYVOQCCWHPXSP-JSGCOSHPSA-N -1 3 384.444 0.533 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571242748 953259151 /nfs/dbraw/zinc/25/91/51/953259151.db2.gz NEVSBCOIQOOFHH-DZGCQCFKSA-N -1 3 384.444 0.276 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571242748 953259154 /nfs/dbraw/zinc/25/91/54/953259154.db2.gz NEVSBCOIQOOFHH-DZGCQCFKSA-N -1 3 384.444 0.276 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571242721 953259271 /nfs/dbraw/zinc/25/92/71/953259271.db2.gz MLIPBLMBDUHCTI-GXTWGEPZSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571242721 953259276 /nfs/dbraw/zinc/25/92/76/953259276.db2.gz MLIPBLMBDUHCTI-GXTWGEPZSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571242704 953259428 /nfs/dbraw/zinc/25/94/28/953259428.db2.gz MAJKHAWFGNZIDF-BZPMIXESSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC(=O)CC2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571242704 953259430 /nfs/dbraw/zinc/25/94/30/953259430.db2.gz MAJKHAWFGNZIDF-BZPMIXESSA-N -1 3 384.444 0.261 20 0 GCADHM CN1CC[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CC1=O ZINC001571242884 953261323 /nfs/dbraw/zinc/26/13/23/953261323.db2.gz QJHXDUQINUAUSZ-YRGRVCCFSA-N -1 3 384.444 0.437 20 0 GCADHM CN1CC[C@@H](C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CC1=O ZINC001571242884 953261325 /nfs/dbraw/zinc/26/13/25/953261325.db2.gz QJHXDUQINUAUSZ-YRGRVCCFSA-N -1 3 384.444 0.437 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571243009 953261732 /nfs/dbraw/zinc/26/17/32/953261732.db2.gz SXSAAWAVXUVIQH-KBPBESRZSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571243009 953261735 /nfs/dbraw/zinc/26/17/35/953261735.db2.gz SXSAAWAVXUVIQH-KBPBESRZSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1)c1ncccc1-c1nnn[n-]1 ZINC001571242936 953261762 /nfs/dbraw/zinc/26/17/62/953261762.db2.gz RHSXUFOYWPENNF-OCCSQVGLSA-N -1 3 384.444 0.167 20 0 GCADHM CN(C[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1)c1ncccc1-c1nn[n-]n1 ZINC001571242936 953261765 /nfs/dbraw/zinc/26/17/65/953261765.db2.gz RHSXUFOYWPENNF-OCCSQVGLSA-N -1 3 384.444 0.167 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)NCC1CC(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571243056 953262503 /nfs/dbraw/zinc/26/25/03/953262503.db2.gz UVNCKZAUQSVSFZ-ORHYLEIMSA-N -1 3 384.444 0.579 20 0 GCADHM CN1C(=O)CCC[C@@H]1C(=O)NCC1CC(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571243056 953262505 /nfs/dbraw/zinc/26/25/05/953262505.db2.gz UVNCKZAUQSVSFZ-ORHYLEIMSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571243127 953263152 /nfs/dbraw/zinc/26/31/52/953263152.db2.gz WSNIGDODJDQAAQ-TZMCWYRMSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571243127 953263155 /nfs/dbraw/zinc/26/31/55/953263155.db2.gz WSNIGDODJDQAAQ-TZMCWYRMSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571243129 953263169 /nfs/dbraw/zinc/26/31/69/953263169.db2.gz WTLZBZWNXMUXAR-FZKQIMNGSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571243129 953263171 /nfs/dbraw/zinc/26/31/71/953263171.db2.gz WTLZBZWNXMUXAR-FZKQIMNGSA-N -1 3 384.444 0.215 20 0 GCADHM CC1(Nc2ccc(-c3nnn[n-]3)cn2)CCN(C(=O)CN2CCCC2=O)CC1 ZINC001571243099 953263236 /nfs/dbraw/zinc/26/32/36/953263236.db2.gz WFJAQDSQAMYHLN-UHFFFAOYSA-N -1 3 384.444 0.677 20 0 GCADHM CC1(Nc2ccc(-c3nn[n-]n3)cn2)CCN(C(=O)CN2CCCC2=O)CC1 ZINC001571243099 953263238 /nfs/dbraw/zinc/26/32/38/953263238.db2.gz WFJAQDSQAMYHLN-UHFFFAOYSA-N -1 3 384.444 0.677 20 0 GCADHM C[C@@]1(CNc2ncccc2-c2nnn[n-]2)CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001571243155 953263679 /nfs/dbraw/zinc/26/36/79/953263679.db2.gz XKFNQCISFNEMMQ-SGTLLEGYSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@@]1(CNc2ncccc2-c2nn[n-]n2)CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001571243155 953263682 /nfs/dbraw/zinc/26/36/82/953263682.db2.gz XKFNQCISFNEMMQ-SGTLLEGYSA-N -1 3 384.444 0.438 20 0 GCADHM CC[C@@H](C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)N1CCCC1=O ZINC001571243187 953264312 /nfs/dbraw/zinc/26/43/12/953264312.db2.gz YFIUAVJMAABIDJ-JSGCOSHPSA-N -1 3 384.444 0.676 20 0 GCADHM CC[C@@H](C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)N1CCCC1=O ZINC001571243187 953264315 /nfs/dbraw/zinc/26/43/15/953264315.db2.gz YFIUAVJMAABIDJ-JSGCOSHPSA-N -1 3 384.444 0.676 20 0 GCADHM CC[C@H](C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)N1CCCC1=O ZINC001571243189 953264438 /nfs/dbraw/zinc/26/44/38/953264438.db2.gz YFIUAVJMAABIDJ-TZMCWYRMSA-N -1 3 384.444 0.676 20 0 GCADHM CC[C@H](C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)N1CCCC1=O ZINC001571243189 953264439 /nfs/dbraw/zinc/26/44/39/953264439.db2.gz YFIUAVJMAABIDJ-TZMCWYRMSA-N -1 3 384.444 0.676 20 0 GCADHM Cc1cnn(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001571244740 953267008 /nfs/dbraw/zinc/26/70/08/953267008.db2.gz HBTSMJGSPQBONT-STQMWFEESA-N -1 3 384.469 0.918 20 0 GCADHM Cc1cnn(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001571244740 953267011 /nfs/dbraw/zinc/26/70/11/953267011.db2.gz HBTSMJGSPQBONT-STQMWFEESA-N -1 3 384.469 0.918 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571244982 953269079 /nfs/dbraw/zinc/26/90/79/953269079.db2.gz BUDKIVMHYIAXRG-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571244982 953269081 /nfs/dbraw/zinc/26/90/81/953269081.db2.gz BUDKIVMHYIAXRG-CYBMUJFWSA-N -1 3 384.448 0.762 20 0 GCADHM CCn1cc(CN(C)C[C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001571244973 953269331 /nfs/dbraw/zinc/26/93/31/953269331.db2.gz BJRZFIHWMVRTAZ-CQSZACIVSA-N -1 3 384.448 0.543 20 0 GCADHM CCn1cc(CN(C)C[C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001571244973 953269335 /nfs/dbraw/zinc/26/93/35/953269335.db2.gz BJRZFIHWMVRTAZ-CQSZACIVSA-N -1 3 384.448 0.543 20 0 GCADHM CCn1ncc(CN2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C(C)(C)C2)n1 ZINC001571245692 953276122 /nfs/dbraw/zinc/27/61/22/953276122.db2.gz KYCNJNFAXZQMJE-CQSZACIVSA-N -1 3 384.448 0.447 20 0 GCADHM CCn1ncc(CN2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C(C)(C)C2)n1 ZINC001571245692 953276125 /nfs/dbraw/zinc/27/61/25/953276125.db2.gz KYCNJNFAXZQMJE-CQSZACIVSA-N -1 3 384.448 0.447 20 0 GCADHM CCn1ncc(CN(C)C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571245887 953277763 /nfs/dbraw/zinc/27/77/63/953277763.db2.gz NXOOJIYDFUEUCX-LBPRGKRZSA-N -1 3 384.448 0.400 20 0 GCADHM CCn1ncc(CN(C)C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571245887 953277768 /nfs/dbraw/zinc/27/77/68/953277768.db2.gz NXOOJIYDFUEUCX-LBPRGKRZSA-N -1 3 384.448 0.400 20 0 GCADHM C[C@@H](c1nncn1C)N(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571246046 953279380 /nfs/dbraw/zinc/27/93/80/953279380.db2.gz RGKBKFCJLRCONX-NSHDSACASA-N -1 3 384.448 0.621 20 0 GCADHM CC(C)Cn1ncnc1CN[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571246123 953279855 /nfs/dbraw/zinc/27/98/55/953279855.db2.gz UHHDDBVBPCVZCL-ZDUSSCGKSA-N -1 3 384.448 0.447 20 0 GCADHM CC(C)Cn1ncnc1CN[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571246123 953279859 /nfs/dbraw/zinc/27/98/59/953279859.db2.gz UHHDDBVBPCVZCL-ZDUSSCGKSA-N -1 3 384.448 0.447 20 0 GCADHM CCn1nc(C)c(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)n1 ZINC001571246113 953280496 /nfs/dbraw/zinc/28/04/96/953280496.db2.gz TVSXKRJKDJGINI-YPMHNXCESA-N -1 3 384.448 0.507 20 0 GCADHM CCn1nc(C)c(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)n1 ZINC001571246113 953280498 /nfs/dbraw/zinc/28/04/98/953280498.db2.gz TVSXKRJKDJGINI-YPMHNXCESA-N -1 3 384.448 0.507 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571247595 953283351 /nfs/dbraw/zinc/28/33/51/953283351.db2.gz ASMPQKSTKHXLOB-IMIFBBOLSA-N -1 3 384.444 0.613 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571247595 953283358 /nfs/dbraw/zinc/28/33/58/953283358.db2.gz ASMPQKSTKHXLOB-IMIFBBOLSA-N -1 3 384.444 0.613 20 0 GCADHM O=C(CN1CCCCCC1=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571248800 953297731 /nfs/dbraw/zinc/29/77/31/953297731.db2.gz ITPJJGDINMFEJQ-OKILXGFUSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(CN1CCCCCC1=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571248800 953297734 /nfs/dbraw/zinc/29/77/34/953297734.db2.gz ITPJJGDINMFEJQ-OKILXGFUSA-N -1 3 384.444 0.723 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(NC(=O)[C@H]3CCCC(=O)N3)CC2)n1 ZINC001571248873 953297972 /nfs/dbraw/zinc/29/79/72/953297972.db2.gz KXOHIVVHMVNRBA-CQSZACIVSA-N -1 3 384.444 0.324 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(NC(=O)[C@H]3CCCC(=O)N3)CC2)n1 ZINC001571248873 953297974 /nfs/dbraw/zinc/29/79/74/953297974.db2.gz KXOHIVVHMVNRBA-CQSZACIVSA-N -1 3 384.444 0.324 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCN([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC001571248829 953298283 /nfs/dbraw/zinc/29/82/83/953298283.db2.gz JSMYVFJYGZCVSK-HNNXBMFYSA-N -1 3 384.444 0.106 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCN([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC001571248829 953298287 /nfs/dbraw/zinc/29/82/87/953298287.db2.gz JSMYVFJYGZCVSK-HNNXBMFYSA-N -1 3 384.444 0.106 20 0 GCADHM O=C([C@@H]1CCNC(=O)C1)N1CCC[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571248927 953299027 /nfs/dbraw/zinc/29/90/27/953299027.db2.gz MDPKBRJNEIWKDR-CHWSQXEVSA-N -1 3 384.444 0.438 20 0 GCADHM O=C([C@@H]1CCNC(=O)C1)N1CCC[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571248927 953299031 /nfs/dbraw/zinc/29/90/31/953299031.db2.gz MDPKBRJNEIWKDR-CHWSQXEVSA-N -1 3 384.444 0.438 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC001571248971 953299394 /nfs/dbraw/zinc/29/93/94/953299394.db2.gz NCPCJXDEGGVTSC-TZMCWYRMSA-N -1 3 384.444 0.451 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)n1 ZINC001571248971 953299396 /nfs/dbraw/zinc/29/93/96/953299396.db2.gz NCPCJXDEGGVTSC-TZMCWYRMSA-N -1 3 384.444 0.451 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571251221 953315651 /nfs/dbraw/zinc/31/56/51/953315651.db2.gz SSSNQLTZHIKWJG-OLZOCXBDSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571251221 953315656 /nfs/dbraw/zinc/31/56/56/953315656.db2.gz SSSNQLTZHIKWJG-OLZOCXBDSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571251306 953316325 /nfs/dbraw/zinc/31/63/25/953316325.db2.gz UCPNKROJRXUAPC-QWHCGFSZSA-N -1 3 384.444 0.406 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571251306 953316330 /nfs/dbraw/zinc/31/63/30/953316330.db2.gz UCPNKROJRXUAPC-QWHCGFSZSA-N -1 3 384.444 0.406 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571251287 953316371 /nfs/dbraw/zinc/31/63/71/953316371.db2.gz TYNOLCGBMLSABV-DYEKYZERSA-N -1 3 384.444 0.248 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571251287 953316375 /nfs/dbraw/zinc/31/63/75/953316375.db2.gz TYNOLCGBMLSABV-DYEKYZERSA-N -1 3 384.444 0.248 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571251288 953316507 /nfs/dbraw/zinc/31/65/07/953316507.db2.gz TYNOLCGBMLSABV-MBNYWOFBSA-N -1 3 384.444 0.248 20 0 GCADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571251288 953316512 /nfs/dbraw/zinc/31/65/12/953316512.db2.gz TYNOLCGBMLSABV-MBNYWOFBSA-N -1 3 384.444 0.248 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N1CCC(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001571251717 953318398 /nfs/dbraw/zinc/31/83/98/953318398.db2.gz VCGOUVNINRLDPK-CYBMUJFWSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@H]1CCNC1=O)N1CCC(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001571251717 953318403 /nfs/dbraw/zinc/31/84/03/953318403.db2.gz VCGOUVNINRLDPK-CYBMUJFWSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571251722 953318574 /nfs/dbraw/zinc/31/85/74/953318574.db2.gz VKHCEPJYZMGEER-GXTWGEPZSA-N -1 3 384.444 0.723 20 0 GCADHM O=C(C[C@@H]1CCC(=O)N1)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571251722 953318579 /nfs/dbraw/zinc/31/85/79/953318579.db2.gz VKHCEPJYZMGEER-GXTWGEPZSA-N -1 3 384.444 0.723 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]1 ZINC001571251753 953319628 /nfs/dbraw/zinc/31/96/28/953319628.db2.gz VXMOGHCGIPREKS-NSHDSACASA-N -1 3 384.448 0.615 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCCC(=O)N1 ZINC001571251727 953319840 /nfs/dbraw/zinc/31/98/40/953319840.db2.gz VRNCZIHGUZCANK-IACUBPJLSA-N -1 3 384.444 0.627 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCCC(=O)N1 ZINC001571251727 953319844 /nfs/dbraw/zinc/31/98/44/953319844.db2.gz VRNCZIHGUZCANK-IACUBPJLSA-N -1 3 384.444 0.627 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nc1)[C@H]1CCNC(=O)CC1 ZINC001571252137 953324228 /nfs/dbraw/zinc/32/42/28/953324228.db2.gz XGSPYGUQCHNRNL-OLZOCXBDSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nc1)[C@H]1CCNC(=O)CC1 ZINC001571252137 953324233 /nfs/dbraw/zinc/32/42/33/953324233.db2.gz XGSPYGUQCHNRNL-OLZOCXBDSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(NC[C@@H]1CCCCN1c1ncccc1-c1nnn[n-]1)[C@H]1CCCC(=O)N1 ZINC001571252207 953325378 /nfs/dbraw/zinc/32/53/78/953325378.db2.gz YYFQKVVQUNPRBP-GXTWGEPZSA-N -1 3 384.444 0.406 20 0 GCADHM O=C(NC[C@@H]1CCCCN1c1ncccc1-c1nn[n-]n1)[C@H]1CCCC(=O)N1 ZINC001571252207 953325383 /nfs/dbraw/zinc/32/53/83/953325383.db2.gz YYFQKVVQUNPRBP-GXTWGEPZSA-N -1 3 384.444 0.406 20 0 GCADHM CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571254181 953337532 /nfs/dbraw/zinc/33/75/32/953337532.db2.gz AIZHJVWVEVUUQY-WDEREUQCSA-N -1 3 385.350 0.972 20 0 GCADHM 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COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CC(=O)N(C)C1=O ZINC000564094040 530948109 /nfs/dbraw/zinc/94/81/09/530948109.db2.gz QCPUTLJWWBSXPY-SNVBAGLBSA-N -1 3 389.817 0.343 20 0 GCADHM COC(=O)[C@@]1(NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CCSC1 ZINC000611160696 530949504 /nfs/dbraw/zinc/94/95/04/530949504.db2.gz GBOOLVBHFXTCMN-LKFCYVNXSA-N -1 3 391.471 0.123 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)NC[C@H]1COCCN1 ZINC000627031058 530965361 /nfs/dbraw/zinc/96/53/61/530965361.db2.gz NXAYGPYOHWUTOK-NSHDSACASA-N -1 3 394.856 0.045 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000516906013 530956526 /nfs/dbraw/zinc/95/65/26/530956526.db2.gz NLDLRHRWDIITNU-SNVBAGLBSA-N -1 3 399.897 0.934 20 0 GCADHM CNS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccc([O-])cc2)s1 ZINC000524303245 530985216 /nfs/dbraw/zinc/98/52/16/530985216.db2.gz BLSLFXMFHADNTP-UHFFFAOYSA-N -1 3 383.451 0.408 20 0 GCADHM COCC1(S(=O)(=O)NC[C@@H](Cc2ccc([O-])c(F)c2)C(=O)OC)CC1 ZINC000420763141 530973555 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GCADHM O=C1CCC(=O)N1CC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000524341828 530985305 /nfs/dbraw/zinc/98/53/05/530985305.db2.gz CYUKFTASCGGRKA-UHFFFAOYSA-N -1 3 385.829 0.652 20 0 GCADHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CSC[C@H]1C(=O)N(CC)CC ZINC000522351843 530976892 /nfs/dbraw/zinc/97/68/92/530976892.db2.gz DFRSCZGISUKMIJ-NSHDSACASA-N -1 3 390.487 0.518 20 0 GCADHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CSC[C@H]1C(=O)N(CC)CC ZINC000522351843 530976894 /nfs/dbraw/zinc/97/68/94/530976894.db2.gz DFRSCZGISUKMIJ-NSHDSACASA-N -1 3 390.487 0.518 20 0 GCADHM Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H](c2cccs2)N(C)C)cn1C ZINC000522952111 530978330 /nfs/dbraw/zinc/97/83/30/530978330.db2.gz MNIDOWGNJKEHKI-GFCCVEGCSA-N -1 3 385.515 0.487 20 0 GCADHM CC1([N-]S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)COC1 ZINC000632665350 530978715 /nfs/dbraw/zinc/97/87/15/530978715.db2.gz NFAGGOJSFNGOOE-UHFFFAOYSA-N -1 3 377.216 0.847 20 0 GCADHM COC(=O)[C@H](CC(F)F)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000611191904 530978901 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CN(C)CC1(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCC1 ZINC000571965355 530983900 /nfs/dbraw/zinc/98/39/00/530983900.db2.gz VEYVSXWPOYRBDT-UHFFFAOYSA-N -1 3 379.479 0.960 20 0 GCADHM NC(=O)c1cc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)ccc1F ZINC000033064510 530984028 /nfs/dbraw/zinc/98/40/28/530984028.db2.gz CIZOJVZHBMXFIA-UHFFFAOYSA-N -1 3 385.149 0.176 20 0 GCADHM CSc1nnc(NC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)[n-]1 ZINC000572083157 530984704 /nfs/dbraw/zinc/98/47/04/530984704.db2.gz HWMCNEWJCNWJAQ-UHFFFAOYSA-N -1 3 384.443 0.402 20 0 GCADHM CSc1n[n-]c(NC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)n1 ZINC000572083157 530984706 /nfs/dbraw/zinc/98/47/06/530984706.db2.gz HWMCNEWJCNWJAQ-UHFFFAOYSA-N -1 3 384.443 0.402 20 0 GCADHM CSc1nc(NC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)n[n-]1 ZINC000572083157 530984710 /nfs/dbraw/zinc/98/47/10/530984710.db2.gz HWMCNEWJCNWJAQ-UHFFFAOYSA-N -1 3 384.443 0.402 20 0 GCADHM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)CCCN1CCCC1)C(F)(F)F ZINC000632329275 530967150 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20 0 GCADHM CNC(=O)NCC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000632469310 530971458 /nfs/dbraw/zinc/97/14/58/530971458.db2.gz ZRLFPTZUWOBHFG-UHFFFAOYSA-N -1 3 378.248 0.591 20 0 GCADHM Cn1cc(C[C@@H](CO)[N-]S(=O)(=O)c2ccc(Br)cn2)cn1 ZINC000632471179 530971631 /nfs/dbraw/zinc/97/16/31/530971631.db2.gz BVHRETCFUTWKRD-NSHDSACASA-N -1 3 375.248 0.460 20 0 GCADHM CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420685502 530972084 /nfs/dbraw/zinc/97/20/84/530972084.db2.gz FXYYSWMJLKOBIA-UHFFFAOYSA-N -1 3 388.389 0.597 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000524885652 530991327 /nfs/dbraw/zinc/99/13/27/530991327.db2.gz IVBIGDIWYMWHRL-RYUDHWBXSA-N -1 3 394.540 0.889 20 0 GCADHM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCN(C)S(C)(=O)=O)c1 ZINC000611510487 530993147 /nfs/dbraw/zinc/99/31/47/530993147.db2.gz BREOGIDEPZHPTE-UHFFFAOYSA-N -1 3 396.462 0.562 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN[C@H](C)C2)c(OC)c1 ZINC000262167541 530995087 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/nfs/dbraw/zinc/19/87/79/531198779.db2.gz DCUQEFHKOSEAJK-SNVBAGLBSA-N -1 3 386.442 0.669 20 0 GCADHM C[C@@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C(C)(F)F ZINC000566487168 531198824 /nfs/dbraw/zinc/19/88/24/531198824.db2.gz PFJQAEYNVDCMMQ-SNVBAGLBSA-N -1 3 386.442 0.621 20 0 GCADHM CC[C@@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000566486299 531198860 /nfs/dbraw/zinc/19/88/60/531198860.db2.gz DCUQEFHKOSEAJK-JTQLQIEISA-N -1 3 386.442 0.669 20 0 GCADHM CCC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000566486029 531198328 /nfs/dbraw/zinc/19/83/28/531198328.db2.gz ADMCKORFRXJJEL-SNVBAGLBSA-N -1 3 386.442 0.669 20 0 GCADHM CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CC(n4cncn4)C3)cc(C(C)C)nc21 ZINC000359942269 212125409 /nfs/dbraw/zinc/12/54/09/212125409.db2.gz SKKXXPXGENQBMI-UHFFFAOYSA-N -1 3 383.412 0.929 20 0 GCADHM COc1ccc([O-])c(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 ZINC000359991452 206277788 /nfs/dbraw/zinc/27/77/88/206277788.db2.gz DRBWMRWOKDBZEI-AWEZNQCLSA-N -1 3 384.454 0.667 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000737025416 598823210 /nfs/dbraw/zinc/82/32/10/598823210.db2.gz QIEDYZIUSPRZSJ-GHMZBOCLSA-N -1 3 397.457 0.534 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000737025416 598823211 /nfs/dbraw/zinc/82/32/11/598823211.db2.gz QIEDYZIUSPRZSJ-GHMZBOCLSA-N -1 3 397.457 0.534 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000736655284 598824311 /nfs/dbraw/zinc/82/43/11/598824311.db2.gz AMOQWJZGYYAWDC-SNVBAGLBSA-N -1 3 383.430 0.194 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000736655284 598824313 /nfs/dbraw/zinc/82/43/13/598824313.db2.gz AMOQWJZGYYAWDC-SNVBAGLBSA-N -1 3 383.430 0.194 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000736655283 598824572 /nfs/dbraw/zinc/82/45/72/598824572.db2.gz AMOQWJZGYYAWDC-JTQLQIEISA-N -1 3 383.430 0.194 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000736655283 598824573 /nfs/dbraw/zinc/82/45/73/598824573.db2.gz AMOQWJZGYYAWDC-JTQLQIEISA-N -1 3 383.430 0.194 20 0 GCADHM COC(=O)c1ccc(=O)n(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC000736949102 598824693 /nfs/dbraw/zinc/82/46/93/598824693.db2.gz AVKGHCOWSMWMAN-UHFFFAOYSA-N -1 3 389.759 0.502 20 0 GCADHM COC(=O)c1ccc(=O)n(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC000736949102 598824694 /nfs/dbraw/zinc/82/46/94/598824694.db2.gz AVKGHCOWSMWMAN-UHFFFAOYSA-N -1 3 389.759 0.502 20 0 GCADHM COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000736949086 598825025 /nfs/dbraw/zinc/82/50/25/598825025.db2.gz AHOGWNUGZBPHJM-UHFFFAOYSA-N -1 3 389.759 0.502 20 0 GCADHM COC(=O)c1ccc(=O)n(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000736949086 598825026 /nfs/dbraw/zinc/82/50/26/598825026.db2.gz AHOGWNUGZBPHJM-UHFFFAOYSA-N -1 3 389.759 0.502 20 0 GCADHM COC[C@@H](C)NC(=O)NC(=O)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736967321 598825913 /nfs/dbraw/zinc/82/59/13/598825913.db2.gz ARNNZVXVBFHPGQ-SNVBAGLBSA-N -1 3 399.415 0.294 20 0 GCADHM COC[C@@H](C)NC(=O)NC(=O)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000736967321 598825915 /nfs/dbraw/zinc/82/59/15/598825915.db2.gz ARNNZVXVBFHPGQ-SNVBAGLBSA-N -1 3 399.415 0.294 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736041784 598826618 /nfs/dbraw/zinc/82/66/18/598826618.db2.gz ZELKDWIPOUWKIQ-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736041784 598826620 /nfs/dbraw/zinc/82/66/20/598826620.db2.gz ZELKDWIPOUWKIQ-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM CCCNC(=O)CN(C)C(=O)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736483242 598827337 /nfs/dbraw/zinc/82/73/37/598827337.db2.gz HSCLEAKRKMWDHA-UHFFFAOYSA-N -1 3 397.443 0.418 20 0 GCADHM CCCNC(=O)CN(C)C(=O)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000736483242 598827339 /nfs/dbraw/zinc/82/73/39/598827339.db2.gz HSCLEAKRKMWDHA-UHFFFAOYSA-N -1 3 397.443 0.418 20 0 GCADHM C[C@H]([C@H](C)N(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC000735571585 598830824 /nfs/dbraw/zinc/83/08/24/598830824.db2.gz FTFDUYMRHQVSQR-NWDGAFQWSA-N -1 3 380.474 0.236 20 0 GCADHM C[C@H]([C@H](C)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000735571585 598830825 /nfs/dbraw/zinc/83/08/25/598830825.db2.gz FTFDUYMRHQVSQR-NWDGAFQWSA-N -1 3 380.474 0.236 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735571440 598830989 /nfs/dbraw/zinc/83/09/89/598830989.db2.gz DFJUADBYLKMIMN-DYEKYZERSA-N -1 3 383.474 0.360 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736039747 598832374 /nfs/dbraw/zinc/83/23/74/598832374.db2.gz LCYZTXSEZOINKG-NSHDSACASA-N -1 3 378.458 0.703 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736039747 598832375 /nfs/dbraw/zinc/83/23/75/598832375.db2.gz LCYZTXSEZOINKG-NSHDSACASA-N -1 3 378.458 0.703 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736040605 598832478 /nfs/dbraw/zinc/83/24/78/598832478.db2.gz QTWIUNQMMWSCPU-DOMZBBRYSA-N -1 3 395.485 0.504 20 0 GCADHM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736508352 598836393 /nfs/dbraw/zinc/83/63/93/598836393.db2.gz KJZLPDDSWKBTJU-LLVKDONJSA-N -1 3 387.487 0.701 20 0 GCADHM CCN([C@H](C)CS(=O)(=O)CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736508352 598836394 /nfs/dbraw/zinc/83/63/94/598836394.db2.gz KJZLPDDSWKBTJU-LLVKDONJSA-N -1 3 387.487 0.701 20 0 GCADHM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738342825 598836844 /nfs/dbraw/zinc/83/68/44/598836844.db2.gz LSUYPQLSPLKEHV-MRVPVSSYSA-N -1 3 380.821 0.405 20 0 GCADHM O=S(=O)(N[C@@H]1CCc2ncnn2C1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738342825 598836845 /nfs/dbraw/zinc/83/68/45/598836845.db2.gz LSUYPQLSPLKEHV-MRVPVSSYSA-N -1 3 380.821 0.405 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735571947 598838161 /nfs/dbraw/zinc/83/81/61/598838161.db2.gz NFCSYSCOVSUELW-GHMZBOCLSA-N -1 3 396.477 0.137 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735571947 598838163 /nfs/dbraw/zinc/83/81/63/598838163.db2.gz NFCSYSCOVSUELW-GHMZBOCLSA-N -1 3 396.477 0.137 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCCn2ccccc2=O)cc1 ZINC000737777254 598844349 /nfs/dbraw/zinc/84/43/49/598844349.db2.gz RFMZLXHAECIFEH-UHFFFAOYSA-N -1 3 392.379 0.653 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCCn2ccccc2=O)cc1 ZINC000737777254 598844350 /nfs/dbraw/zinc/84/43/50/598844350.db2.gz RFMZLXHAECIFEH-UHFFFAOYSA-N -1 3 392.379 0.653 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCCCN2CCOC2=O)cc1 ZINC000737775548 598844442 /nfs/dbraw/zinc/84/44/42/598844442.db2.gz AWPKVYRUDXNTBS-UHFFFAOYSA-N -1 3 398.383 0.634 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCCCN2CCOC2=O)cc1 ZINC000737775548 598844444 /nfs/dbraw/zinc/84/44/44/598844444.db2.gz AWPKVYRUDXNTBS-UHFFFAOYSA-N -1 3 398.383 0.634 20 0 GCADHM O=C(OCCCN1C(=O)CNC1=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738219772 598845444 /nfs/dbraw/zinc/84/54/44/598845444.db2.gz AYKQDWYNZFMSJE-CQSZACIVSA-N -1 3 399.411 0.321 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccnc(-n2cccn2)c1 ZINC000738078441 598845666 /nfs/dbraw/zinc/84/56/66/598845666.db2.gz QCKRYQIDDHBQPT-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccnc(-n2cccn2)c1 ZINC000738078441 598845668 /nfs/dbraw/zinc/84/56/68/598845668.db2.gz QCKRYQIDDHBQPT-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM COC(=O)N[C@@H](C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736935973 598845985 /nfs/dbraw/zinc/84/59/85/598845985.db2.gz LTMQMLKJNHEEMY-CQSZACIVSA-N -1 3 390.400 0.407 20 0 GCADHM COC(=O)N[C@@H](C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736935973 598845987 /nfs/dbraw/zinc/84/59/87/598845987.db2.gz LTMQMLKJNHEEMY-CQSZACIVSA-N -1 3 390.400 0.407 20 0 GCADHM COC(=O)N[C@H](C(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736937087 598846424 /nfs/dbraw/zinc/84/64/24/598846424.db2.gz UWOGAGXVAGTLFF-ZDUSSCGKSA-N -1 3 376.373 0.729 20 0 GCADHM COC(=O)N[C@H](C(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736937087 598846425 /nfs/dbraw/zinc/84/64/25/598846425.db2.gz UWOGAGXVAGTLFF-ZDUSSCGKSA-N -1 3 376.373 0.729 20 0 GCADHM COC(=O)NCCCC(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736938828 598846793 /nfs/dbraw/zinc/84/67/93/598846793.db2.gz VHQDBKNVVSKNJS-UHFFFAOYSA-N -1 3 376.373 0.162 20 0 GCADHM COC(=O)NCCCC(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736938828 598846795 /nfs/dbraw/zinc/84/67/95/598846795.db2.gz VHQDBKNVVSKNJS-UHFFFAOYSA-N -1 3 376.373 0.162 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)n1C ZINC000737522655 598847121 /nfs/dbraw/zinc/84/71/21/598847121.db2.gz PDQRHXOJPKEOEE-BQYQJAHWSA-N -1 3 393.455 0.661 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)n1C ZINC000737522655 598847122 /nfs/dbraw/zinc/84/71/22/598847122.db2.gz PDQRHXOJPKEOEE-BQYQJAHWSA-N -1 3 393.455 0.661 20 0 GCADHM COC(=O)N1CCN(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736934307 598850734 /nfs/dbraw/zinc/85/07/34/598850734.db2.gz AEFZBPANISVLHX-UHFFFAOYSA-N -1 3 383.416 0.775 20 0 GCADHM COC(=O)N1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736934307 598850736 /nfs/dbraw/zinc/85/07/36/598850736.db2.gz AEFZBPANISVLHX-UHFFFAOYSA-N -1 3 383.416 0.775 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cn1nc(C(=O)OC)ccc1=O ZINC000737003613 598851520 /nfs/dbraw/zinc/85/15/20/598851520.db2.gz ZKQBCLYSBDLURK-UHFFFAOYSA-N -1 3 399.411 0.316 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cn1nc(C(=O)OC)ccc1=O ZINC000737003613 598851521 /nfs/dbraw/zinc/85/15/21/598851521.db2.gz ZKQBCLYSBDLURK-UHFFFAOYSA-N -1 3 399.411 0.316 20 0 GCADHM CC(=O)NC[C@@H]1CN(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000735473904 598852626 /nfs/dbraw/zinc/85/26/26/598852626.db2.gz KTBYLCMTYMWHAS-MRXNPFEDSA-N -1 3 397.443 0.228 20 0 GCADHM CC(=O)NC[C@@H]1CN(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000735473904 598852628 /nfs/dbraw/zinc/85/26/28/598852628.db2.gz KTBYLCMTYMWHAS-MRXNPFEDSA-N -1 3 397.443 0.228 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735571559 598851992 /nfs/dbraw/zinc/85/19/92/598851992.db2.gz FSDQPZGYPKVSTK-GHMZBOCLSA-N -1 3 396.477 0.137 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735571559 598851993 /nfs/dbraw/zinc/85/19/93/598851993.db2.gz FSDQPZGYPKVSTK-GHMZBOCLSA-N -1 3 396.477 0.137 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736657553 598854210 /nfs/dbraw/zinc/85/42/10/598854210.db2.gz SRPQAYJSRDNQGJ-JTQLQIEISA-N -1 3 380.430 0.087 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736657553 598854211 /nfs/dbraw/zinc/85/42/11/598854211.db2.gz SRPQAYJSRDNQGJ-JTQLQIEISA-N -1 3 380.430 0.087 20 0 GCADHM CN(Cc1ccon1)CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736829546 598852654 /nfs/dbraw/zinc/85/26/54/598852654.db2.gz GLZVZDMUJMIFOL-UHFFFAOYSA-N -1 3 382.384 0.708 20 0 GCADHM CN(Cc1ccon1)CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736829546 598852656 /nfs/dbraw/zinc/85/26/56/598852656.db2.gz GLZVZDMUJMIFOL-UHFFFAOYSA-N -1 3 382.384 0.708 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000736899562 598861661 /nfs/dbraw/zinc/86/16/61/598861661.db2.gz BQJHAFNGAFCOHM-SJORKVTESA-N -1 3 397.439 0.987 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000736899562 598861662 /nfs/dbraw/zinc/86/16/62/598861662.db2.gz BQJHAFNGAFCOHM-SJORKVTESA-N -1 3 397.439 0.987 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NC[C@@H]1CCCO1 ZINC000737826104 598861974 /nfs/dbraw/zinc/86/19/74/598861974.db2.gz PNURELFQCYANRJ-UONOGXRCSA-N -1 3 399.411 0.367 20 0 GCADHM O=C(CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NC[C@@H]1CCCO1 ZINC000737826104 598861976 /nfs/dbraw/zinc/86/19/76/598861976.db2.gz PNURELFQCYANRJ-UONOGXRCSA-N -1 3 399.411 0.367 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N(C)CC(=O)NCc1ccco1 ZINC000736901052 598862513 /nfs/dbraw/zinc/86/25/13/598862513.db2.gz HSKJWPBBWKGFOI-MRXNPFEDSA-N -1 3 384.396 0.922 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N(C)CC(=O)NCc1ccco1 ZINC000736901052 598862514 /nfs/dbraw/zinc/86/25/14/598862514.db2.gz HSKJWPBBWKGFOI-MRXNPFEDSA-N -1 3 384.396 0.922 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736885191 598863510 /nfs/dbraw/zinc/86/35/10/598863510.db2.gz ZJTDGMFGJSPBMA-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736885191 598863511 /nfs/dbraw/zinc/86/35/11/598863511.db2.gz ZJTDGMFGJSPBMA-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM CN(CC(F)F)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736787815 598864484 /nfs/dbraw/zinc/86/44/84/598864484.db2.gz FYOBJTNRWVKYFG-LLVKDONJSA-N -1 3 393.354 0.795 20 0 GCADHM CN(CC(F)F)C(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736787815 598864485 /nfs/dbraw/zinc/86/44/85/598864485.db2.gz FYOBJTNRWVKYFG-LLVKDONJSA-N -1 3 393.354 0.795 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)NCc1ccoc1 ZINC000737826126 598864684 /nfs/dbraw/zinc/86/46/84/598864684.db2.gz QCHYZYFVKTYYHE-AWEZNQCLSA-N -1 3 395.379 0.981 20 0 GCADHM O=C(CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)NCc1ccoc1 ZINC000737826126 598864687 /nfs/dbraw/zinc/86/46/87/598864687.db2.gz QCHYZYFVKTYYHE-AWEZNQCLSA-N -1 3 395.379 0.981 20 0 GCADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736511025 598866877 /nfs/dbraw/zinc/86/68/77/598866877.db2.gz BZVJPYRZJOPKEQ-SNVBAGLBSA-N -1 3 389.434 0.204 20 0 GCADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736511025 598866879 /nfs/dbraw/zinc/86/68/79/598866879.db2.gz BZVJPYRZJOPKEQ-SNVBAGLBSA-N -1 3 389.434 0.204 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCN1C(=O)CCC1=O ZINC000737833187 598869418 /nfs/dbraw/zinc/86/94/18/598869418.db2.gz QDJUDKOWCSGCAJ-UHFFFAOYSA-N -1 3 386.412 0.681 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCN1C(=O)CCC1=O ZINC000737833187 598869419 /nfs/dbraw/zinc/86/94/19/598869419.db2.gz QDJUDKOWCSGCAJ-UHFFFAOYSA-N -1 3 386.412 0.681 20 0 GCADHM CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000735684036 598872931 /nfs/dbraw/zinc/87/29/31/598872931.db2.gz IDXNNCGUFLWWEN-UHFFFAOYSA-N -1 3 396.448 0.885 20 0 GCADHM CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735684036 598872932 /nfs/dbraw/zinc/87/29/32/598872932.db2.gz IDXNNCGUFLWWEN-UHFFFAOYSA-N -1 3 396.448 0.885 20 0 GCADHM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736893680 598873547 /nfs/dbraw/zinc/87/35/47/598873547.db2.gz SJLDNMUETHHDHB-VIFPVBQESA-N -1 3 383.405 0.968 20 0 GCADHM COC(=O)[C@@H](C)CN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736893680 598873549 /nfs/dbraw/zinc/87/35/49/598873549.db2.gz SJLDNMUETHHDHB-VIFPVBQESA-N -1 3 383.405 0.968 20 0 GCADHM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736893677 598873580 /nfs/dbraw/zinc/87/35/80/598873580.db2.gz SJLDNMUETHHDHB-SECBINFHSA-N -1 3 383.405 0.968 20 0 GCADHM COC(=O)[C@H](C)CN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736893677 598873583 /nfs/dbraw/zinc/87/35/83/598873583.db2.gz SJLDNMUETHHDHB-SECBINFHSA-N -1 3 383.405 0.968 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1nnc2n1CCC2 ZINC000736129578 598874314 /nfs/dbraw/zinc/87/43/14/598874314.db2.gz GDMYEXRIUJGVMP-MRVPVSSYSA-N -1 3 378.393 0.583 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1nnc2n1CCC2 ZINC000736129578 598874315 /nfs/dbraw/zinc/87/43/15/598874315.db2.gz GDMYEXRIUJGVMP-MRVPVSSYSA-N -1 3 378.393 0.583 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000736905110 598874837 /nfs/dbraw/zinc/87/48/37/598874837.db2.gz AJSICGSBCNBCOK-LLVKDONJSA-N -1 3 395.416 0.970 20 0 GCADHM COC(=O)[C@H]1CC12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000736905110 598874838 /nfs/dbraw/zinc/87/48/38/598874838.db2.gz AJSICGSBCNBCOK-LLVKDONJSA-N -1 3 395.416 0.970 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000738306972 598880787 /nfs/dbraw/zinc/88/07/87/598880787.db2.gz MHSVWPVWIUWIAJ-UHFFFAOYSA-N -1 3 377.364 0.616 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000738306972 598880788 /nfs/dbraw/zinc/88/07/88/598880788.db2.gz MHSVWPVWIUWIAJ-UHFFFAOYSA-N -1 3 377.364 0.616 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000738305697 598881098 /nfs/dbraw/zinc/88/10/98/598881098.db2.gz AMUMBZULPUWKEO-UHFFFAOYSA-N -1 3 377.364 0.616 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000738305697 598881100 /nfs/dbraw/zinc/88/11/00/598881100.db2.gz AMUMBZULPUWKEO-UHFFFAOYSA-N -1 3 377.364 0.616 20 0 GCADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CS(=O)(=O)NC(C)(C)C ZINC000736037664 598882659 /nfs/dbraw/zinc/88/26/59/598882659.db2.gz NJBVGDFBQSXPJE-NSHDSACASA-N -1 3 397.457 0.895 20 0 GCADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CS(=O)(=O)NC(C)(C)C ZINC000736037664 598882661 /nfs/dbraw/zinc/88/26/61/598882661.db2.gz NJBVGDFBQSXPJE-NSHDSACASA-N -1 3 397.457 0.895 20 0 GCADHM COC(=O)[C@@H](N[C@H](C)C(=O)NCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899112 598883496 /nfs/dbraw/zinc/88/34/96/598883496.db2.gz XPCGYLDYDACOIH-ABAIWWIYSA-N -1 3 384.396 0.968 20 0 GCADHM COC(=O)[C@@H](N[C@H](C)C(=O)NCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899112 598883497 /nfs/dbraw/zinc/88/34/97/598883497.db2.gz XPCGYLDYDACOIH-ABAIWWIYSA-N -1 3 384.396 0.968 20 0 GCADHM CCc1nnc2n1C[C@@H](N[C@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736711312 598883808 /nfs/dbraw/zinc/88/38/08/598883808.db2.gz VMNSBXHDSUAGSY-BBRMVZONSA-N -1 3 382.428 0.839 20 0 GCADHM CCc1nnc2n1C[C@@H](N[C@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736711312 598883810 /nfs/dbraw/zinc/88/38/10/598883810.db2.gz VMNSBXHDSUAGSY-BBRMVZONSA-N -1 3 382.428 0.839 20 0 GCADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)CCCN1C(=O)CNC1=O ZINC000736037328 598884315 /nfs/dbraw/zinc/88/43/15/598884315.db2.gz KKEMESJSJWMCCF-LLVKDONJSA-N -1 3 388.384 0.509 20 0 GCADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)CCCN1C(=O)CNC1=O ZINC000736037328 598884316 /nfs/dbraw/zinc/88/43/16/598884316.db2.gz KKEMESJSJWMCCF-LLVKDONJSA-N -1 3 388.384 0.509 20 0 GCADHM COCCN1C[C@H](C(=O)O[C@H](C)COc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000737008393 598886660 /nfs/dbraw/zinc/88/66/60/598886660.db2.gz SRBAOCDMKJPDNB-TZMCWYRMSA-N -1 3 389.412 0.672 20 0 GCADHM COCCN1C[C@H](C(=O)O[C@H](C)COc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000737008393 598886661 /nfs/dbraw/zinc/88/66/61/598886661.db2.gz SRBAOCDMKJPDNB-TZMCWYRMSA-N -1 3 389.412 0.672 20 0 GCADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000736038772 598888954 /nfs/dbraw/zinc/88/89/54/598888954.db2.gz XLKOGAWETMPRCH-BXUZGUMPSA-N -1 3 395.441 0.601 20 0 GCADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000736038772 598888955 /nfs/dbraw/zinc/88/89/55/598888955.db2.gz XLKOGAWETMPRCH-BXUZGUMPSA-N -1 3 395.441 0.601 20 0 GCADHM COC(=O)[C@H](OC(=O)CCN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899556 598894660 /nfs/dbraw/zinc/89/46/60/598894660.db2.gz OFKFXQZYTCMYEN-OAHLLOKOSA-N -1 3 387.352 0.163 20 0 GCADHM COC(=O)[C@H](OC(=O)CCN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899556 598894661 /nfs/dbraw/zinc/89/46/61/598894661.db2.gz OFKFXQZYTCMYEN-OAHLLOKOSA-N -1 3 387.352 0.163 20 0 GCADHM Cc1nonc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nnn[n-]1 ZINC000737548868 598895158 /nfs/dbraw/zinc/89/51/58/598895158.db2.gz XAOYRETUPDBQTO-UHFFFAOYSA-N -1 3 394.399 0.689 20 0 GCADHM Cc1nonc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000737548868 598895159 /nfs/dbraw/zinc/89/51/59/598895159.db2.gz XAOYRETUPDBQTO-UHFFFAOYSA-N -1 3 394.399 0.689 20 0 GCADHM COC(=O)[C@@H](OC(=O)CN(C)c1ncccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900438 598896166 /nfs/dbraw/zinc/89/61/66/598896166.db2.gz RXMRPFAUZLNIKQ-AWEZNQCLSA-N -1 3 383.368 0.550 20 0 GCADHM COC(=O)[C@@H](OC(=O)CN(C)c1ncccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900438 598896168 /nfs/dbraw/zinc/89/61/68/598896168.db2.gz RXMRPFAUZLNIKQ-AWEZNQCLSA-N -1 3 383.368 0.550 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H](C)N1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894402 598897202 /nfs/dbraw/zinc/89/72/02/598897202.db2.gz CMHILGUIFMCPCT-OTYXRUKQSA-N -1 3 387.352 0.162 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H](C)N1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894402 598897204 /nfs/dbraw/zinc/89/72/04/598897204.db2.gz CMHILGUIFMCPCT-OTYXRUKQSA-N -1 3 387.352 0.162 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)c1ccoc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897340 598897521 /nfs/dbraw/zinc/89/75/21/598897521.db2.gz FVOVHMMCQKGFMA-OAHLLOKOSA-N -1 3 399.363 0.955 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)c1ccoc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897340 598897522 /nfs/dbraw/zinc/89/75/22/598897522.db2.gz FVOVHMMCQKGFMA-OAHLLOKOSA-N -1 3 399.363 0.955 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1ccc2nncn2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900998 598900028 /nfs/dbraw/zinc/90/00/28/598900028.db2.gz VTWVYPAJOBYZFN-AWEZNQCLSA-N -1 3 379.336 0.981 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1ccc2nncn2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900998 598900030 /nfs/dbraw/zinc/90/00/30/598900030.db2.gz VTWVYPAJOBYZFN-AWEZNQCLSA-N -1 3 379.336 0.981 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccnc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739896 598902918 /nfs/dbraw/zinc/90/29/18/598902918.db2.gz LDMJNGDPYLKPBE-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccnc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739896 598902919 /nfs/dbraw/zinc/90/29/19/598902919.db2.gz LDMJNGDPYLKPBE-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN1CC[C@H](CO)C1 ZINC000736987121 598903602 /nfs/dbraw/zinc/90/36/02/598903602.db2.gz DZWUCZJGBQDJSN-AWEZNQCLSA-N -1 3 391.476 0.574 20 0 GCADHM COc1ncc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)cn1 ZINC000737163244 598908681 /nfs/dbraw/zinc/90/86/81/598908681.db2.gz HSWLVULHBWPROV-UHFFFAOYSA-N -1 3 384.375 0.767 20 0 GCADHM COc1ncc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)cn1 ZINC000737163244 598908683 /nfs/dbraw/zinc/90/86/83/598908683.db2.gz HSWLVULHBWPROV-UHFFFAOYSA-N -1 3 384.375 0.767 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)c1ccsc1 ZINC000737059881 598908768 /nfs/dbraw/zinc/90/87/68/598908768.db2.gz YCCBUMZZOSZJMC-LBPRGKRZSA-N -1 3 388.409 0.725 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)c1ccsc1 ZINC000737059881 598908770 /nfs/dbraw/zinc/90/87/70/598908770.db2.gz YCCBUMZZOSZJMC-LBPRGKRZSA-N -1 3 388.409 0.725 20 0 GCADHM CC(C)(C)OC(=O)NC(C)(C)CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735664511 598908886 /nfs/dbraw/zinc/90/88/86/598908886.db2.gz KISZQOZVYPMQJN-UHFFFAOYSA-N -1 3 394.436 0.882 20 0 GCADHM CC(C)(C)OC(=O)NC(C)(C)CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735664511 598908887 /nfs/dbraw/zinc/90/88/87/598908887.db2.gz KISZQOZVYPMQJN-UHFFFAOYSA-N -1 3 394.436 0.882 20 0 GCADHM CN(C)C(=O)Nc1cccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000736751149 598909713 /nfs/dbraw/zinc/90/97/13/598909713.db2.gz IWWKFRWSSQLBOG-UHFFFAOYSA-N -1 3 385.388 0.596 20 0 GCADHM CN(C)C(=O)Nc1cccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000736751149 598909714 /nfs/dbraw/zinc/90/97/14/598909714.db2.gz IWWKFRWSSQLBOG-UHFFFAOYSA-N -1 3 385.388 0.596 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736913096 598912465 /nfs/dbraw/zinc/91/24/65/598912465.db2.gz YFIKAARKYTZOHT-GFCCVEGCSA-N -1 3 377.426 0.753 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736913096 598912466 /nfs/dbraw/zinc/91/24/66/598912466.db2.gz YFIKAARKYTZOHT-GFCCVEGCSA-N -1 3 377.426 0.753 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737763674 598917518 /nfs/dbraw/zinc/91/75/18/598917518.db2.gz FQVDHRLAZLEIHY-JTQLQIEISA-N -1 3 399.864 0.212 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737763674 598917519 /nfs/dbraw/zinc/91/75/19/598917519.db2.gz FQVDHRLAZLEIHY-JTQLQIEISA-N -1 3 399.864 0.212 20 0 GCADHM C[C@](O)(CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736144358 598922117 /nfs/dbraw/zinc/92/21/17/598922117.db2.gz YYAQXMAUUVMVOY-IBGZPJMESA-N -1 3 380.408 0.620 20 0 GCADHM C[C@](O)(CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736144358 598922119 /nfs/dbraw/zinc/92/21/19/598922119.db2.gz YYAQXMAUUVMVOY-IBGZPJMESA-N -1 3 380.408 0.620 20 0 GCADHM Cc1cc(OCC(=O)Nc2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000737480290 598922325 /nfs/dbraw/zinc/92/23/25/598922325.db2.gz MFCRMVRYJPVUJB-UHFFFAOYSA-N -1 3 381.356 0.492 20 0 GCADHM Cc1nc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737479551 598922421 /nfs/dbraw/zinc/92/24/21/598922421.db2.gz BUJDIKXDRCVOSG-IAQYHMDHSA-N -1 3 398.427 0.700 20 0 GCADHM Cc1nc(NC(=O)CCNC(=O)C(C)(C)C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480318 598924285 /nfs/dbraw/zinc/92/42/85/598924285.db2.gz NJFXHHNEWSAFRS-UHFFFAOYSA-N -1 3 397.443 0.669 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCOc1cccnc1 ZINC000737056304 598924469 /nfs/dbraw/zinc/92/44/69/598924469.db2.gz CLRSREFTFVOQAU-UHFFFAOYSA-N -1 3 383.368 0.404 20 0 GCADHM Cc1nc(NC(=O)CCN2CCCC2=O)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737479598 598932585 /nfs/dbraw/zinc/93/25/85/598932585.db2.gz CQUPJIDDJJIQSX-UHFFFAOYSA-N -1 3 381.400 0.129 20 0 GCADHM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736912976 598934908 /nfs/dbraw/zinc/93/49/08/598934908.db2.gz LJOVAYFBPOXNRU-HNNXBMFYSA-N -1 3 388.428 0.849 20 0 GCADHM Cc1cc(N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)n2ncnc2n1 ZINC000737271704 598937730 /nfs/dbraw/zinc/93/77/30/598937730.db2.gz NKHAUVMPPRXKGX-UHFFFAOYSA-N -1 3 397.834 0.988 20 0 GCADHM Cc1cc(N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)n2ncnc2n1 ZINC000737271704 598937733 /nfs/dbraw/zinc/93/77/33/598937733.db2.gz NKHAUVMPPRXKGX-UHFFFAOYSA-N -1 3 397.834 0.988 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736884061 598941112 /nfs/dbraw/zinc/94/11/12/598941112.db2.gz ZYKKLPLMDUMAPJ-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000737160689 598944118 /nfs/dbraw/zinc/94/41/18/598944118.db2.gz BOEXHBDQMRLABM-NEPJUHHUSA-N -1 3 379.442 0.718 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737160689 598944119 /nfs/dbraw/zinc/94/41/19/598944119.db2.gz BOEXHBDQMRLABM-NEPJUHHUSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000736182725 598944635 /nfs/dbraw/zinc/94/46/35/598944635.db2.gz PCELJIOZKZWSBY-NWDGAFQWSA-N -1 3 379.442 0.527 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000736182725 598944638 /nfs/dbraw/zinc/94/46/38/598944638.db2.gz PCELJIOZKZWSBY-NWDGAFQWSA-N -1 3 379.442 0.527 20 0 GCADHM CNC(=O)COc1ccc(OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736875327 598946297 /nfs/dbraw/zinc/94/62/97/598946297.db2.gz WLEMEVGUZCHPQU-UHFFFAOYSA-N -1 3 396.407 0.687 20 0 GCADHM CNC(=O)COc1ccc(OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736875327 598946298 /nfs/dbraw/zinc/94/62/98/598946298.db2.gz WLEMEVGUZCHPQU-UHFFFAOYSA-N -1 3 396.407 0.687 20 0 GCADHM COC(=O)CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C[C@@H]1CCCO1 ZINC000736912745 598947298 /nfs/dbraw/zinc/94/72/98/598947298.db2.gz GRSNNUDJKMEWRV-HNNXBMFYSA-N -1 3 388.428 0.849 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000737295924 598948349 /nfs/dbraw/zinc/94/83/49/598948349.db2.gz BGFHHJGKVFOQMC-UHFFFAOYSA-N -1 3 378.458 0.664 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000737295924 598948351 /nfs/dbraw/zinc/94/83/51/598948351.db2.gz BGFHHJGKVFOQMC-UHFFFAOYSA-N -1 3 378.458 0.664 20 0 GCADHM CN1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)CC1=O ZINC000736857274 598949953 /nfs/dbraw/zinc/94/99/53/598949953.db2.gz PKUSCYJKDFONLJ-UHFFFAOYSA-N -1 3 379.380 0.968 20 0 GCADHM CN1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)CC1=O ZINC000736857274 598949955 /nfs/dbraw/zinc/94/99/55/598949955.db2.gz PKUSCYJKDFONLJ-UHFFFAOYSA-N -1 3 379.380 0.968 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000737220492 598950296 /nfs/dbraw/zinc/95/02/96/598950296.db2.gz DXTCKNPCYQXHPQ-ZDUSSCGKSA-N -1 3 388.457 0.872 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000737220492 598950297 /nfs/dbraw/zinc/95/02/97/598950297.db2.gz DXTCKNPCYQXHPQ-ZDUSSCGKSA-N -1 3 388.457 0.872 20 0 GCADHM Cc1nc(SCC(=O)N2CCN(C)C(=O)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737482631 598950402 /nfs/dbraw/zinc/95/04/02/598950402.db2.gz JXVWRLGEHIBENO-UHFFFAOYSA-N -1 3 375.458 0.580 20 0 GCADHM Cc1nc(SCC(=O)N2CCN(C)C(=O)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737482631 598950403 /nfs/dbraw/zinc/95/04/03/598950403.db2.gz JXVWRLGEHIBENO-UHFFFAOYSA-N -1 3 375.458 0.580 20 0 GCADHM COC(=O)C[C@H]1CSCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000736911957 598950794 /nfs/dbraw/zinc/95/07/94/598950794.db2.gz NCZJSQMFPFIENY-ZDUSSCGKSA-N -1 3 376.442 0.786 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000737298543 598950842 /nfs/dbraw/zinc/95/08/42/598950842.db2.gz RBUPHSPOADJHEF-OKILXGFUSA-N -1 3 394.501 0.953 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000737298543 598950843 /nfs/dbraw/zinc/95/08/43/598950843.db2.gz RBUPHSPOADJHEF-OKILXGFUSA-N -1 3 394.501 0.953 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000736303683 598952663 /nfs/dbraw/zinc/95/26/63/598952663.db2.gz MRIZHSCHMCIVKM-UHFFFAOYSA-N -1 3 378.458 0.808 20 0 GCADHM CCC(=O)N1CCCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000736303683 598952664 /nfs/dbraw/zinc/95/26/64/598952664.db2.gz MRIZHSCHMCIVKM-UHFFFAOYSA-N -1 3 378.458 0.808 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000737296263 598955914 /nfs/dbraw/zinc/95/59/14/598955914.db2.gz HNMIZSAHDJOVBB-LBPRGKRZSA-N -1 3 378.458 0.841 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 ZINC000737296263 598955915 /nfs/dbraw/zinc/95/59/15/598955915.db2.gz HNMIZSAHDJOVBB-LBPRGKRZSA-N -1 3 378.458 0.841 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCNC(=O)c1cccs1 ZINC000737298561 598953786 /nfs/dbraw/zinc/95/37/86/598953786.db2.gz RUQXQOVKUDQXGL-UHFFFAOYSA-N -1 3 392.466 0.945 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCNC(=O)c1cccs1 ZINC000737298561 598953787 /nfs/dbraw/zinc/95/37/87/598953787.db2.gz RUQXQOVKUDQXGL-UHFFFAOYSA-N -1 3 392.466 0.945 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736748725 598959843 /nfs/dbraw/zinc/95/98/43/598959843.db2.gz WSSMGIKDQPXDDG-MNOVXSKESA-N -1 3 396.448 0.931 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736748725 598959844 /nfs/dbraw/zinc/95/98/44/598959844.db2.gz WSSMGIKDQPXDDG-MNOVXSKESA-N -1 3 396.448 0.931 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736748731 598959865 /nfs/dbraw/zinc/95/98/65/598959865.db2.gz WSSMGIKDQPXDDG-WDEREUQCSA-N -1 3 396.448 0.931 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736748731 598959866 /nfs/dbraw/zinc/95/98/66/598959866.db2.gz WSSMGIKDQPXDDG-WDEREUQCSA-N -1 3 396.448 0.931 20 0 GCADHM CNC(=O)COc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736873392 598959884 /nfs/dbraw/zinc/95/98/84/598959884.db2.gz JONKMHROFPYHNU-UHFFFAOYSA-N -1 3 389.393 0.759 20 0 GCADHM CNC(=O)COc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736873392 598959885 /nfs/dbraw/zinc/95/98/85/598959885.db2.gz JONKMHROFPYHNU-UHFFFAOYSA-N -1 3 389.393 0.759 20 0 GCADHM NC(=O)COc1cccc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000737753704 598960309 /nfs/dbraw/zinc/96/03/09/598960309.db2.gz PIMLLVMQBFVOHS-MRXNPFEDSA-N -1 3 393.407 0.948 20 0 GCADHM NC(=O)COc1cccc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000737753704 598960310 /nfs/dbraw/zinc/96/03/10/598960310.db2.gz PIMLLVMQBFVOHS-MRXNPFEDSA-N -1 3 393.407 0.948 20 0 GCADHM c1ncn(Cc2cccc(NC[C@H]3CNc4c(-c5nnn[n-]5)cnn4C3)c2)n1 ZINC000738413504 598963190 /nfs/dbraw/zinc/96/31/90/598963190.db2.gz SIZVVFWPSZFFPI-ZDUSSCGKSA-N -1 3 377.416 0.857 20 0 GCADHM c1ncn(Cc2cccc(NC[C@H]3CNc4c(-c5nn[n-]n5)cnn4C3)c2)n1 ZINC000738413504 598963191 /nfs/dbraw/zinc/96/31/91/598963191.db2.gz SIZVVFWPSZFFPI-ZDUSSCGKSA-N -1 3 377.416 0.857 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1=O ZINC000735873909 598967442 /nfs/dbraw/zinc/96/74/42/598967442.db2.gz BRHSIYYPOIYISX-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1=O ZINC000735873909 598967445 /nfs/dbraw/zinc/96/74/45/598967445.db2.gz BRHSIYYPOIYISX-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM C[C@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCO1 ZINC000736155051 598964048 /nfs/dbraw/zinc/96/40/48/598964048.db2.gz GJWJTOJVNXCKIM-FZMZJTMJSA-N -1 3 375.385 0.472 20 0 GCADHM C[C@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCO1 ZINC000736155051 598964050 /nfs/dbraw/zinc/96/40/50/598964050.db2.gz GJWJTOJVNXCKIM-FZMZJTMJSA-N -1 3 375.385 0.472 20 0 GCADHM Cn1cc(CN2CCN(c3c4ccccc4nnc3-c3nnn[n-]3)CC2)cn1 ZINC000737602485 598967685 /nfs/dbraw/zinc/96/76/85/598967685.db2.gz OZDSDXMXTBUMEO-UHFFFAOYSA-N -1 3 376.428 0.866 20 0 GCADHM Cn1cc(CN2CCN(c3c4ccccc4nnc3-c3nn[n-]n3)CC2)cn1 ZINC000737602485 598967687 /nfs/dbraw/zinc/96/76/87/598967687.db2.gz OZDSDXMXTBUMEO-UHFFFAOYSA-N -1 3 376.428 0.866 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@@H](CO)C1CC1 ZINC000738140440 598968822 /nfs/dbraw/zinc/96/88/22/598968822.db2.gz VEEZOPSWEUEXCE-JTQLQIEISA-N -1 3 382.327 0.294 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@@H](CO)C1CC1 ZINC000738140440 598968823 /nfs/dbraw/zinc/96/88/23/598968823.db2.gz VEEZOPSWEUEXCE-JTQLQIEISA-N -1 3 382.327 0.294 20 0 GCADHM CCNC(=O)CN1CCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC000736575027 598980458 /nfs/dbraw/zinc/98/04/58/598980458.db2.gz XOTOIUZBVAGGSL-UHFFFAOYSA-N -1 3 389.460 0.008 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000737033548 598987681 /nfs/dbraw/zinc/98/76/81/598987681.db2.gz WRHDJZGCAUXXTC-RYUDHWBXSA-N -1 3 381.458 0.762 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000737033548 598987682 /nfs/dbraw/zinc/98/76/82/598987682.db2.gz WRHDJZGCAUXXTC-RYUDHWBXSA-N -1 3 381.458 0.762 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000737033430 598988186 /nfs/dbraw/zinc/98/81/86/598988186.db2.gz WRHDJZGCAUXXTC-NEPJUHHUSA-N -1 3 381.458 0.762 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000737033430 598988187 /nfs/dbraw/zinc/98/81/87/598988187.db2.gz WRHDJZGCAUXXTC-NEPJUHHUSA-N -1 3 381.458 0.762 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000737223263 598994984 /nfs/dbraw/zinc/99/49/84/598994984.db2.gz CVKRVJSXSNMKJN-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000737223263 598994985 /nfs/dbraw/zinc/99/49/85/598994985.db2.gz CVKRVJSXSNMKJN-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000737220049 598995470 /nfs/dbraw/zinc/99/54/70/598995470.db2.gz AHPNSVMOEKCNDF-UHFFFAOYSA-N -1 3 378.458 0.664 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000737220049 598995472 /nfs/dbraw/zinc/99/54/72/598995472.db2.gz AHPNSVMOEKCNDF-UHFFFAOYSA-N -1 3 378.458 0.664 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000737221757 598996370 /nfs/dbraw/zinc/99/63/70/598996370.db2.gz QIEVBDUHJKMJNO-UHFFFAOYSA-N -1 3 378.458 0.664 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000737221757 598996371 /nfs/dbraw/zinc/99/63/71/598996371.db2.gz QIEVBDUHJKMJNO-UHFFFAOYSA-N -1 3 378.458 0.664 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000737223272 598998144 /nfs/dbraw/zinc/99/81/44/598998144.db2.gz DDVBJPLRBFIROM-UHFFFAOYSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000737223272 598998145 /nfs/dbraw/zinc/99/81/45/598998145.db2.gz DDVBJPLRBFIROM-UHFFFAOYSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000737221735 599000282 /nfs/dbraw/zinc/00/02/82/599000282.db2.gz POHKFXYCJDJCIR-ZDUSSCGKSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000737221735 599000283 /nfs/dbraw/zinc/00/02/83/599000283.db2.gz POHKFXYCJDJCIR-ZDUSSCGKSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCC(=O)Nc1cccnc1 ZINC000737224345 599003563 /nfs/dbraw/zinc/00/35/63/599003563.db2.gz RQXJFJZUKLSAQY-UHFFFAOYSA-N -1 3 387.425 0.877 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCC(=O)Nc1cccnc1 ZINC000737224345 599003565 /nfs/dbraw/zinc/00/35/65/599003565.db2.gz RQXJFJZUKLSAQY-UHFFFAOYSA-N -1 3 387.425 0.877 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000737223297 599003711 /nfs/dbraw/zinc/00/37/11/599003711.db2.gz DXWNMVSCVIBJEU-OLZOCXBDSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000737223297 599003713 /nfs/dbraw/zinc/00/37/13/599003713.db2.gz DXWNMVSCVIBJEU-OLZOCXBDSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000737224468 599004634 /nfs/dbraw/zinc/00/46/34/599004634.db2.gz WKWDAJWIDPJLBQ-INIZCTEOSA-N -1 3 398.448 0.949 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000737224468 599004636 /nfs/dbraw/zinc/00/46/36/599004636.db2.gz WKWDAJWIDPJLBQ-INIZCTEOSA-N -1 3 398.448 0.949 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000737221458 599005183 /nfs/dbraw/zinc/00/51/83/599005183.db2.gz MUKURSHRZQNMEJ-MNOVXSKESA-N -1 3 387.487 0.617 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000737221458 599005185 /nfs/dbraw/zinc/00/51/85/599005185.db2.gz MUKURSHRZQNMEJ-MNOVXSKESA-N -1 3 387.487 0.617 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000737223508 599005791 /nfs/dbraw/zinc/00/57/91/599005791.db2.gz HSTWZFPIIHETET-UHFFFAOYSA-N -1 3 386.441 0.849 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000737223508 599005793 /nfs/dbraw/zinc/00/57/93/599005793.db2.gz HSTWZFPIIHETET-UHFFFAOYSA-N -1 3 386.441 0.849 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736911987 599006068 /nfs/dbraw/zinc/00/60/68/599006068.db2.gz NQHGMTOKMKVMBI-LLVKDONJSA-N -1 3 383.455 0.536 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736911987 599006070 /nfs/dbraw/zinc/00/60/70/599006070.db2.gz NQHGMTOKMKVMBI-LLVKDONJSA-N -1 3 383.455 0.536 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736790512 599009658 /nfs/dbraw/zinc/00/96/58/599009658.db2.gz ICIQIFMCSCJVSP-VIFPVBQESA-N -1 3 389.434 0.061 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737163385 599010186 /nfs/dbraw/zinc/01/01/86/599010186.db2.gz WNRKAXJJYLGPRL-NEPJUHHUSA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737163385 599010189 /nfs/dbraw/zinc/01/01/89/599010189.db2.gz WNRKAXJJYLGPRL-NEPJUHHUSA-N -1 3 385.471 0.501 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000737222103 599010242 /nfs/dbraw/zinc/01/02/42/599010242.db2.gz WEIJCSYVCXTLIW-NSHDSACASA-N -1 3 385.471 0.230 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000737222103 599010244 /nfs/dbraw/zinc/01/02/44/599010244.db2.gz WEIJCSYVCXTLIW-NSHDSACASA-N -1 3 385.471 0.230 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737161447 599010391 /nfs/dbraw/zinc/01/03/91/599010391.db2.gz KCEMUYRZAWOBEO-WCQYABFASA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737161447 599010393 /nfs/dbraw/zinc/01/03/93/599010393.db2.gz KCEMUYRZAWOBEO-WCQYABFASA-N -1 3 385.471 0.501 20 0 GCADHM C[C@](O)(CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccsc1 ZINC000736142396 599014653 /nfs/dbraw/zinc/01/46/53/599014653.db2.gz NRMUJWZFPPMWSN-KRWDZBQOSA-N -1 3 386.437 0.682 20 0 GCADHM C[C@](O)(CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000736142396 599014655 /nfs/dbraw/zinc/01/46/55/599014655.db2.gz NRMUJWZFPPMWSN-KRWDZBQOSA-N -1 3 386.437 0.682 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccsc1 ZINC000736143628 599012042 /nfs/dbraw/zinc/01/20/42/599012042.db2.gz UQCGVZZBKOIGIW-MRXNPFEDSA-N -1 3 388.457 0.942 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccsc1 ZINC000736143628 599012044 /nfs/dbraw/zinc/01/20/44/599012044.db2.gz UQCGVZZBKOIGIW-MRXNPFEDSA-N -1 3 388.457 0.942 20 0 GCADHM O=C(O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H](O)C1CCOCC1 ZINC000738216450 599017202 /nfs/dbraw/zinc/01/72/02/599017202.db2.gz ZYJWBDXDARRDGJ-LSDHHAIUSA-N -1 3 387.396 0.303 20 0 GCADHM O=C(O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H](O)C1CCOCC1 ZINC000738216450 599017203 /nfs/dbraw/zinc/01/72/03/599017203.db2.gz ZYJWBDXDARRDGJ-LSDHHAIUSA-N -1 3 387.396 0.303 20 0 GCADHM O=C(O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@H](O)C1CCOCC1 ZINC000738216449 599017293 /nfs/dbraw/zinc/01/72/93/599017293.db2.gz ZYJWBDXDARRDGJ-HUUCEWRRSA-N -1 3 387.396 0.303 20 0 GCADHM O=C(O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@H](O)C1CCOCC1 ZINC000738216449 599017295 /nfs/dbraw/zinc/01/72/95/599017295.db2.gz ZYJWBDXDARRDGJ-HUUCEWRRSA-N -1 3 387.396 0.303 20 0 GCADHM C[C@@H](O)C[C@@H](C)CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736144101 599023706 /nfs/dbraw/zinc/02/37/06/599023706.db2.gz NHYJHMFREWPHHF-CHWSQXEVSA-N -1 3 388.476 0.937 20 0 GCADHM C[C@@H](O)C[C@@H](C)CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736144101 599023707 /nfs/dbraw/zinc/02/37/07/599023707.db2.gz NHYJHMFREWPHHF-CHWSQXEVSA-N -1 3 388.476 0.937 20 0 GCADHM COC(=O)C[C@H](C)S(=O)(=O)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736910777 599024039 /nfs/dbraw/zinc/02/40/39/599024039.db2.gz BLVDSSQZYNTIIA-JTQLQIEISA-N -1 3 384.414 0.621 20 0 GCADHM COC(=O)C[C@H](C)S(=O)(=O)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736910777 599024041 /nfs/dbraw/zinc/02/40/41/599024041.db2.gz BLVDSSQZYNTIIA-JTQLQIEISA-N -1 3 384.414 0.621 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000738258194 599025677 /nfs/dbraw/zinc/02/56/77/599025677.db2.gz HPYIGAAQLWZFDQ-UHFFFAOYSA-N -1 3 399.377 0.989 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000738258194 599025679 /nfs/dbraw/zinc/02/56/79/599025679.db2.gz HPYIGAAQLWZFDQ-UHFFFAOYSA-N -1 3 399.377 0.989 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000736168488 599029157 /nfs/dbraw/zinc/02/91/57/599029157.db2.gz HWGQLAGNLBVHGO-PFUSGODGSA-N -1 3 392.485 0.157 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737163558 599029813 /nfs/dbraw/zinc/02/98/13/599029813.db2.gz ZBTWXFPTYAMCMC-UHFFFAOYSA-N -1 3 389.441 0.679 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737163558 599029814 /nfs/dbraw/zinc/02/98/14/599029814.db2.gz ZBTWXFPTYAMCMC-UHFFFAOYSA-N -1 3 389.441 0.679 20 0 GCADHM Cc1nc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480301 599030430 /nfs/dbraw/zinc/03/04/30/599030430.db2.gz MKQIMUNPHRBNTO-LBPRGKRZSA-N -1 3 393.411 0.127 20 0 GCADHM Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737511898 599033995 /nfs/dbraw/zinc/03/39/95/599033995.db2.gz VSXMQKRQALDTLJ-UHFFFAOYSA-N -1 3 381.444 0.570 20 0 GCADHM Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737511898 599033996 /nfs/dbraw/zinc/03/39/96/599033996.db2.gz VSXMQKRQALDTLJ-UHFFFAOYSA-N -1 3 381.444 0.570 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCOC[C@H]2CCCO2)cc1 ZINC000737776689 599035329 /nfs/dbraw/zinc/03/53/29/599035329.db2.gz PNZFJKGEEYABHP-CQSZACIVSA-N -1 3 398.427 0.560 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCOC[C@H]2CCCO2)cc1 ZINC000737776689 599035332 /nfs/dbraw/zinc/03/53/32/599035332.db2.gz PNZFJKGEEYABHP-CQSZACIVSA-N -1 3 398.427 0.560 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736592268 599040980 /nfs/dbraw/zinc/04/09/80/599040980.db2.gz BRSLHJUMLAOARB-RISCZKNCSA-N -1 3 375.385 0.425 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736592266 599041029 /nfs/dbraw/zinc/04/10/29/599041029.db2.gz BRSLHJUMLAOARB-FZMZJTMJSA-N -1 3 375.385 0.425 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736594856 599041706 /nfs/dbraw/zinc/04/17/06/599041706.db2.gz TVQJCOGWLGOMOJ-ZDUSSCGKSA-N -1 3 377.426 0.749 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736594856 599041709 /nfs/dbraw/zinc/04/17/09/599041709.db2.gz TVQJCOGWLGOMOJ-ZDUSSCGKSA-N -1 3 377.426 0.749 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000822491921 599046551 /nfs/dbraw/zinc/04/65/51/599046551.db2.gz JTFMDIZOGCOWHI-VIFPVBQESA-N -1 3 390.473 0.908 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000822491921 599046554 /nfs/dbraw/zinc/04/65/54/599046554.db2.gz JTFMDIZOGCOWHI-VIFPVBQESA-N -1 3 390.473 0.908 20 0 GCADHM Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000822491920 599046724 /nfs/dbraw/zinc/04/67/24/599046724.db2.gz JTFMDIZOGCOWHI-SECBINFHSA-N -1 3 390.473 0.908 20 0 GCADHM Cc1nn(C)c(C)c1C[C@@H](C)Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000822491920 599046727 /nfs/dbraw/zinc/04/67/27/599046727.db2.gz JTFMDIZOGCOWHI-SECBINFHSA-N -1 3 390.473 0.908 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736593405 599047342 /nfs/dbraw/zinc/04/73/42/599047342.db2.gz HJXYBNHWCRKGQU-UONOGXRCSA-N -1 3 375.385 0.345 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736593405 599047345 /nfs/dbraw/zinc/04/73/45/599047345.db2.gz HJXYBNHWCRKGQU-UONOGXRCSA-N -1 3 375.385 0.345 20 0 GCADHM CCOC(=O)[C@@H]1CN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736595145 599049043 /nfs/dbraw/zinc/04/90/43/599049043.db2.gz VCOWQKUYKUGAFK-ZDUSSCGKSA-N -1 3 394.819 0.723 20 0 GCADHM CCOC(=O)[C@@H]1CN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000736595145 599049046 /nfs/dbraw/zinc/04/90/46/599049046.db2.gz VCOWQKUYKUGAFK-ZDUSSCGKSA-N -1 3 394.819 0.723 20 0 GCADHM O=C(NCCO)C1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC000738083200 599050888 /nfs/dbraw/zinc/05/08/88/599050888.db2.gz QCDXYMSAPLBGOT-UHFFFAOYSA-N -1 3 385.350 0.605 20 0 GCADHM O=C(NCCO)C1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC000738083200 599050891 /nfs/dbraw/zinc/05/08/91/599050891.db2.gz QCDXYMSAPLBGOT-UHFFFAOYSA-N -1 3 385.350 0.605 20 0 GCADHM CN1C(=O)N[C@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nnn[n-]3)C2)C1=O ZINC000736847590 599051659 /nfs/dbraw/zinc/05/16/59/599051659.db2.gz VJIYVWIBWZYNSG-ZDUSSCGKSA-N -1 3 382.306 0.411 20 0 GCADHM CN1C(=O)N[C@]2(CCN(c3nc(C(F)(F)F)ccc3-c3nn[n-]n3)C2)C1=O ZINC000736847590 599051662 /nfs/dbraw/zinc/05/16/62/599051662.db2.gz VJIYVWIBWZYNSG-ZDUSSCGKSA-N -1 3 382.306 0.411 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000738037678 599055167 /nfs/dbraw/zinc/05/51/67/599055167.db2.gz GYOPVZYMPBCMGC-AWEZNQCLSA-N -1 3 384.318 0.122 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000738037678 599055169 /nfs/dbraw/zinc/05/51/69/599055169.db2.gz GYOPVZYMPBCMGC-AWEZNQCLSA-N -1 3 384.318 0.122 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737765014 599057225 /nfs/dbraw/zinc/05/72/25/599057225.db2.gz QMBSUDHJWDJQON-MRVPVSSYSA-N -1 3 391.379 0.785 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737765014 599057228 /nfs/dbraw/zinc/05/72/28/599057228.db2.gz QMBSUDHJWDJQON-MRVPVSSYSA-N -1 3 391.379 0.785 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000736594282 599060947 /nfs/dbraw/zinc/06/09/47/599060947.db2.gz QDFNBFDTFOFFJO-CYBMUJFWSA-N -1 3 378.364 0.479 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000736594282 599060950 /nfs/dbraw/zinc/06/09/50/599060950.db2.gz QDFNBFDTFOFFJO-CYBMUJFWSA-N -1 3 378.364 0.479 20 0 GCADHM O=C(N[C@@H](CCO)C1CC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738031214 599061269 /nfs/dbraw/zinc/06/12/69/599061269.db2.gz AKFRTJAQWIPWII-HNNXBMFYSA-N -1 3 386.460 0.691 20 0 GCADHM O=C(N[C@@H](CCO)C1CC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738031214 599061272 /nfs/dbraw/zinc/06/12/72/599061272.db2.gz AKFRTJAQWIPWII-HNNXBMFYSA-N -1 3 386.460 0.691 20 0 GCADHM COCC(=O)N[C@H](C(=O)O[C@@H](C)COc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736965285 599061613 /nfs/dbraw/zinc/06/16/13/599061613.db2.gz BEVOYDQVMRWFNB-LRDDRELGSA-N -1 3 391.428 0.964 20 0 GCADHM COCC(=O)N[C@H](C(=O)O[C@@H](C)COc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736965285 599061615 /nfs/dbraw/zinc/06/16/15/599061615.db2.gz BEVOYDQVMRWFNB-LRDDRELGSA-N -1 3 391.428 0.964 20 0 GCADHM CCN(CC)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736530131 599067320 /nfs/dbraw/zinc/06/73/20/599067320.db2.gz YMZBSMSMKHNBDG-OAHLLOKOSA-N -1 3 386.460 0.473 20 0 GCADHM CCN(CC)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736530131 599067321 /nfs/dbraw/zinc/06/73/21/599067321.db2.gz YMZBSMSMKHNBDG-OAHLLOKOSA-N -1 3 386.460 0.473 20 0 GCADHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CCOC[C@H]2CCCO2)C1=O ZINC000736224126 599067823 /nfs/dbraw/zinc/06/78/23/599067823.db2.gz QHERGYSXJINIDG-RDTXWAMCSA-N -1 3 386.412 0.829 20 0 GCADHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CCOC[C@H]2CCCO2)C1=O ZINC000736224126 599067825 /nfs/dbraw/zinc/06/78/25/599067825.db2.gz QHERGYSXJINIDG-RDTXWAMCSA-N -1 3 386.412 0.829 20 0 GCADHM CCOc1ncnc2c1CN([C@@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000736656883 599071728 /nfs/dbraw/zinc/07/17/28/599071728.db2.gz NUKWFTMRBJNSHD-OAHLLOKOSA-N -1 3 380.412 0.640 20 0 GCADHM CCOc1ncnc2c1CN([C@@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000736656883 599071731 /nfs/dbraw/zinc/07/17/31/599071731.db2.gz NUKWFTMRBJNSHD-OAHLLOKOSA-N -1 3 380.412 0.640 20 0 GCADHM Cc1nc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)oc1C ZINC000737478347 599073063 /nfs/dbraw/zinc/07/30/63/599073063.db2.gz QZZINPLGGZEDCV-KRWDZBQOSA-N -1 3 396.455 0.816 20 0 GCADHM Cc1nc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)oc1C ZINC000737478347 599073065 /nfs/dbraw/zinc/07/30/65/599073065.db2.gz QZZINPLGGZEDCV-KRWDZBQOSA-N -1 3 396.455 0.816 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000737740002 599073935 /nfs/dbraw/zinc/07/39/35/599073935.db2.gz SJXKWFBXKIPGKG-KGLIPLIRSA-N -1 3 396.411 0.727 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000737740002 599073937 /nfs/dbraw/zinc/07/39/37/599073937.db2.gz SJXKWFBXKIPGKG-KGLIPLIRSA-N -1 3 396.411 0.727 20 0 GCADHM CN([C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000736779910 599074322 /nfs/dbraw/zinc/07/43/22/599074322.db2.gz QRVBJRKRIWLSCH-DOTOQJQBSA-N -1 3 393.455 0.784 20 0 GCADHM CN([C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000736779921 599074474 /nfs/dbraw/zinc/07/44/74/599074474.db2.gz QRVBJRKRIWLSCH-RDJZCZTQSA-N -1 3 393.455 0.784 20 0 GCADHM Cc1noc([C@H](C)N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737534526 599075567 /nfs/dbraw/zinc/07/55/67/599075567.db2.gz PATKUMGDESNZNE-XHDPSFHLSA-N -1 3 397.443 0.463 20 0 GCADHM Cc1noc([C@H](C)N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737534526 599075570 /nfs/dbraw/zinc/07/55/70/599075570.db2.gz PATKUMGDESNZNE-XHDPSFHLSA-N -1 3 397.443 0.463 20 0 GCADHM CN([C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736778262 599077986 /nfs/dbraw/zinc/07/79/86/599077986.db2.gz BQNIDCCVEIKAKM-VXGBXAGGSA-N -1 3 397.361 0.488 20 0 GCADHM CN([C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736778262 599077988 /nfs/dbraw/zinc/07/79/88/599077988.db2.gz BQNIDCCVEIKAKM-VXGBXAGGSA-N -1 3 397.361 0.488 20 0 GCADHM CN(C)C(=O)COc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736746462 599088848 /nfs/dbraw/zinc/08/88/48/599088848.db2.gz ITSANAGILFVUIV-QGZVFWFLSA-N -1 3 395.423 0.972 20 0 GCADHM CN(C)C(=O)COc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736746462 599088850 /nfs/dbraw/zinc/08/88/50/599088850.db2.gz ITSANAGILFVUIV-QGZVFWFLSA-N -1 3 395.423 0.972 20 0 GCADHM COC(=O)c1cc(CN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)ccc1OC ZINC000736942093 599089136 /nfs/dbraw/zinc/08/91/36/599089136.db2.gz YYKRBTDTZZSYEV-MRXNPFEDSA-N -1 3 396.407 0.978 20 0 GCADHM COC(=O)c1cc(CN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000736942093 599089138 /nfs/dbraw/zinc/08/91/38/599089138.db2.gz YYKRBTDTZZSYEV-MRXNPFEDSA-N -1 3 396.407 0.978 20 0 GCADHM CN(C)C(=O)c1ccc(CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736753157 599089607 /nfs/dbraw/zinc/08/96/07/599089607.db2.gz HORZYXNYYTZCLS-INIZCTEOSA-N -1 3 379.424 0.885 20 0 GCADHM CN(C)C(=O)c1ccc(CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736753157 599089610 /nfs/dbraw/zinc/08/96/10/599089610.db2.gz HORZYXNYYTZCLS-INIZCTEOSA-N -1 3 379.424 0.885 20 0 GCADHM COc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1OCC(N)=O ZINC000737106721 599092156 /nfs/dbraw/zinc/09/21/56/599092156.db2.gz XAUHWLHCIBGUII-MRXNPFEDSA-N -1 3 397.395 0.378 20 0 GCADHM COc1ccc(N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1OCC(N)=O ZINC000737106721 599092159 /nfs/dbraw/zinc/09/21/59/599092159.db2.gz XAUHWLHCIBGUII-MRXNPFEDSA-N -1 3 397.395 0.378 20 0 GCADHM NC(=O)[C@H](NCc1ccccc1Cn1cncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736633 599092321 /nfs/dbraw/zinc/09/23/21/599092321.db2.gz KBYDKYUTUMBYJX-QGZVFWFLSA-N -1 3 389.423 0.823 20 0 GCADHM NC(=O)[C@H](NCCNC(=O)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739601 599095285 /nfs/dbraw/zinc/09/52/85/599095285.db2.gz ZMNFNJUCIANRNM-OAHLLOKOSA-N -1 3 383.387 0.552 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000735759359 599097076 /nfs/dbraw/zinc/09/70/76/599097076.db2.gz SPNHEQYAVOHFMG-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000735759359 599097080 /nfs/dbraw/zinc/09/70/80/599097080.db2.gz SPNHEQYAVOHFMG-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000735757286 599097287 /nfs/dbraw/zinc/09/72/87/599097287.db2.gz ACDSULKQRARZAY-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM CC(C)CC(=O)NCCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000735757286 599097291 /nfs/dbraw/zinc/09/72/91/599097291.db2.gz ACDSULKQRARZAY-UHFFFAOYSA-N -1 3 386.460 0.463 20 0 GCADHM NC(=O)[C@H](NCC(=O)N1CCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737730257 599098319 /nfs/dbraw/zinc/09/83/19/599098319.db2.gz IPVDDCGPBZNBRH-QGZVFWFLSA-N -1 3 377.408 0.572 20 0 GCADHM NC(=O)[C@H](NCC(=O)N1CCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000737730257 599098322 /nfs/dbraw/zinc/09/83/22/599098322.db2.gz IPVDDCGPBZNBRH-QGZVFWFLSA-N -1 3 377.408 0.572 20 0 GCADHM NC(=O)[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729696 599100579 /nfs/dbraw/zinc/10/05/79/599100579.db2.gz BSBJNVAVEFYYIK-GOEBONIOSA-N -1 3 395.398 0.927 20 0 GCADHM NC(=O)[C@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729696 599100582 /nfs/dbraw/zinc/10/05/82/599100582.db2.gz BSBJNVAVEFYYIK-GOEBONIOSA-N -1 3 395.398 0.927 20 0 GCADHM CCn1nc2c(cc1=O)CN(CC(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821568319 599102358 /nfs/dbraw/zinc/10/23/58/599102358.db2.gz PWCMPQUWHCMMML-UHFFFAOYSA-N -1 3 380.412 0.440 20 0 GCADHM CCn1nc2c(cc1=O)CN(CC(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821568319 599102359 /nfs/dbraw/zinc/10/23/59/599102359.db2.gz PWCMPQUWHCMMML-UHFFFAOYSA-N -1 3 380.412 0.440 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@H](C)C(=O)Nc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821568137 599102450 /nfs/dbraw/zinc/10/24/50/599102450.db2.gz ISSDAXWUYYEAPU-GFCCVEGCSA-N -1 3 394.439 0.829 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@H](C)C(=O)Nc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821568137 599102452 /nfs/dbraw/zinc/10/24/52/599102452.db2.gz ISSDAXWUYYEAPU-GFCCVEGCSA-N -1 3 394.439 0.829 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)CC2 ZINC000821568504 599102685 /nfs/dbraw/zinc/10/26/85/599102685.db2.gz XDJUMPZPRGNQGE-GFCCVEGCSA-N -1 3 394.439 0.829 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000821568504 599102687 /nfs/dbraw/zinc/10/26/87/599102687.db2.gz XDJUMPZPRGNQGE-GFCCVEGCSA-N -1 3 394.439 0.829 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736886744 599108544 /nfs/dbraw/zinc/10/85/44/599108544.db2.gz JHRHQYCBBPXXBP-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736886744 599108546 /nfs/dbraw/zinc/10/85/46/599108546.db2.gz JHRHQYCBBPXXBP-UHFFFAOYSA-N -1 3 384.421 0.978 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737769175 599110053 /nfs/dbraw/zinc/11/00/53/599110053.db2.gz GMVADDPSQNFCDD-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737769175 599110054 /nfs/dbraw/zinc/11/00/54/599110054.db2.gz GMVADDPSQNFCDD-UHFFFAOYSA-N -1 3 376.373 0.583 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737734684 599111852 /nfs/dbraw/zinc/11/18/52/599111852.db2.gz AEIFHVCCMRAQDL-HNNXBMFYSA-N -1 3 380.364 0.366 20 0 GCADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737734684 599111855 /nfs/dbraw/zinc/11/18/55/599111855.db2.gz AEIFHVCCMRAQDL-HNNXBMFYSA-N -1 3 380.364 0.366 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cccc(-n2cnnn2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737741852 599112273 /nfs/dbraw/zinc/11/22/73/599112273.db2.gz QEIICTYSBGHOPG-CQSZACIVSA-N -1 3 391.351 0.226 20 0 GCADHM NC(=O)[C@H](OC(=O)c1cccc(-n2cnnn2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737741852 599112275 /nfs/dbraw/zinc/11/22/75/599112275.db2.gz QEIICTYSBGHOPG-CQSZACIVSA-N -1 3 391.351 0.226 20 0 GCADHM NC(=O)[C@@H](OC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737611 599116742 /nfs/dbraw/zinc/11/67/42/599116742.db2.gz AVJQTGGSWCBZHX-LBPRGKRZSA-N -1 3 395.301 0.852 20 0 GCADHM NC(=O)[C@@H](OC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737611 599116746 /nfs/dbraw/zinc/11/67/46/599116746.db2.gz AVJQTGGSWCBZHX-LBPRGKRZSA-N -1 3 395.301 0.852 20 0 GCADHM CC[C@@H](C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)N1CCCC1=O ZINC000736311592 599117055 /nfs/dbraw/zinc/11/70/55/599117055.db2.gz AIVWEIOGTLXPRY-AWEZNQCLSA-N -1 3 384.444 0.311 20 0 GCADHM CC[C@@H](C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)N1CCCC1=O ZINC000736311592 599117058 /nfs/dbraw/zinc/11/70/58/599117058.db2.gz AIVWEIOGTLXPRY-AWEZNQCLSA-N -1 3 384.444 0.311 20 0 GCADHM NC(=O)[C@H](OC(=O)COc1ccc(C=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736356 599118556 /nfs/dbraw/zinc/11/85/56/599118556.db2.gz IICTVNMAOPHICA-MRXNPFEDSA-N -1 3 381.348 0.828 20 0 GCADHM NC(=O)[C@H](OC(=O)COc1ccc(C=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736356 599118558 /nfs/dbraw/zinc/11/85/58/599118558.db2.gz IICTVNMAOPHICA-MRXNPFEDSA-N -1 3 381.348 0.828 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2cccn2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739168 599119373 /nfs/dbraw/zinc/11/93/73/599119373.db2.gz IYLUMSOVBPDDDQ-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc(-n2cccn2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739168 599119374 /nfs/dbraw/zinc/11/93/74/599119374.db2.gz IYLUMSOVBPDDDQ-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM O=C(CS(=O)(=O)C[C@@H](O)c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000823054570 599119610 /nfs/dbraw/zinc/11/96/10/599119610.db2.gz AVXFVTQJNGQJCN-OAHLLOKOSA-N -1 3 387.421 0.954 20 0 GCADHM O=C(CS(=O)(=O)C[C@@H](O)c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000823054570 599119613 /nfs/dbraw/zinc/11/96/13/599119613.db2.gz AVXFVTQJNGQJCN-OAHLLOKOSA-N -1 3 387.421 0.954 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736103610 599120441 /nfs/dbraw/zinc/12/04/41/599120441.db2.gz XISLQGNWDPOMHL-YGRLFVJLSA-N -1 3 386.412 0.631 20 0 GCADHM C[C@@H](NC(=O)C1CCCC1)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736103610 599120443 /nfs/dbraw/zinc/12/04/43/599120443.db2.gz XISLQGNWDPOMHL-YGRLFVJLSA-N -1 3 386.412 0.631 20 0 GCADHM CC(C)CCOCCNC(=O)CS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000820076100 599120611 /nfs/dbraw/zinc/12/06/11/599120611.db2.gz AIHVNHHNISJOHZ-UHFFFAOYSA-N -1 3 399.448 0.958 20 0 GCADHM CC(C)CCOCCNC(=O)CS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000820076100 599120614 /nfs/dbraw/zinc/12/06/14/599120614.db2.gz AIHVNHHNISJOHZ-UHFFFAOYSA-N -1 3 399.448 0.958 20 0 GCADHM CC1(C)NC(=O)N(CCCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC000820606954 599120708 /nfs/dbraw/zinc/12/07/08/599120708.db2.gz GRSSDMKZGKEFDY-UHFFFAOYSA-N -1 3 396.404 0.500 20 0 GCADHM CC1(C)NC(=O)N(CCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC000820606954 599120711 /nfs/dbraw/zinc/12/07/11/599120711.db2.gz GRSSDMKZGKEFDY-UHFFFAOYSA-N -1 3 396.404 0.500 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739247 599121187 /nfs/dbraw/zinc/12/11/87/599121187.db2.gz JSLFSHKCDOVASC-ZDUSSCGKSA-N -1 3 379.336 0.832 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739247 599121189 /nfs/dbraw/zinc/12/11/89/599121189.db2.gz JSLFSHKCDOVASC-ZDUSSCGKSA-N -1 3 379.336 0.832 20 0 GCADHM NC(=O)[C@@H](OC(=O)CS(=O)(=O)C1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737745391 599122311 /nfs/dbraw/zinc/12/23/11/599122311.db2.gz YARMMTUMQSKGFB-AWEZNQCLSA-N -1 3 393.425 0.294 20 0 GCADHM NC(=O)[C@@H](OC(=O)CS(=O)(=O)C1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737745391 599122314 /nfs/dbraw/zinc/12/23/14/599122314.db2.gz YARMMTUMQSKGFB-AWEZNQCLSA-N -1 3 393.425 0.294 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccccc1OCCO)c1ccc(-c2nnn[n-]2)cc1 ZINC000737745313 599123777 /nfs/dbraw/zinc/12/37/77/599123777.db2.gz WHYLHTMLELGQOX-HNNXBMFYSA-N -1 3 383.364 0.621 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1ccccc1OCCO)c1ccc(-c2nn[n-]n2)cc1 ZINC000737745313 599123778 /nfs/dbraw/zinc/12/37/78/599123778.db2.gz WHYLHTMLELGQOX-HNNXBMFYSA-N -1 3 383.364 0.621 20 0 GCADHM COc1cc(OC)c(N)c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737051987 599124635 /nfs/dbraw/zinc/12/46/35/599124635.db2.gz OLNLDOLJERFXCH-OAHLLOKOSA-N -1 3 398.379 0.850 20 0 GCADHM COc1cc(OC)c(N)c(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737051987 599124637 /nfs/dbraw/zinc/12/46/37/599124637.db2.gz OLNLDOLJERFXCH-OAHLLOKOSA-N -1 3 398.379 0.850 20 0 GCADHM Cc1nnc2ccc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cn12 ZINC000737531774 599125863 /nfs/dbraw/zinc/12/58/63/599125863.db2.gz DOUMXGPHJFUWTB-CQSZACIVSA-N -1 3 378.352 0.601 20 0 GCADHM Cc1nnc2ccc(C(=O)O[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cn12 ZINC000737531774 599125867 /nfs/dbraw/zinc/12/58/67/599125867.db2.gz DOUMXGPHJFUWTB-CQSZACIVSA-N -1 3 378.352 0.601 20 0 GCADHM NC(=O)[C@H](OC(=O)C1(C(=O)NC2CC2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736625 599127980 /nfs/dbraw/zinc/12/79/80/599127980.db2.gz JXWJYRPKGBRYJN-CYBMUJFWSA-N -1 3 384.396 0.385 20 0 GCADHM NC(=O)[C@H](OC(=O)C1(C(=O)NC2CC2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736625 599127983 /nfs/dbraw/zinc/12/79/83/599127983.db2.gz JXWJYRPKGBRYJN-CYBMUJFWSA-N -1 3 384.396 0.385 20 0 GCADHM NC(=O)NC(=O)COC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737758537 599131424 /nfs/dbraw/zinc/13/14/24/599131424.db2.gz MDVDJOUJHYIDKN-UHFFFAOYSA-N -1 3 396.363 0.797 20 0 GCADHM NC(=O)NC(=O)COC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737758537 599131425 /nfs/dbraw/zinc/13/14/25/599131425.db2.gz MDVDJOUJHYIDKN-UHFFFAOYSA-N -1 3 396.363 0.797 20 0 GCADHM COCCN(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821689041 607258952 /nfs/dbraw/zinc/25/89/52/607258952.db2.gz IRTOUPYYZTVRND-CYBMUJFWSA-N -1 3 381.458 0.930 20 0 GCADHM COCCN(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821689041 607258953 /nfs/dbraw/zinc/25/89/53/607258953.db2.gz IRTOUPYYZTVRND-CYBMUJFWSA-N -1 3 381.458 0.930 20 0 GCADHM Cn1c(CO)nnc1S[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000822596956 607258971 /nfs/dbraw/zinc/25/89/71/607258971.db2.gz ZUOFZXVHFKYZAJ-MRVPVSSYSA-N -1 3 378.443 0.447 20 0 GCADHM Cn1c(CO)nnc1S[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000822596956 607258972 /nfs/dbraw/zinc/25/89/72/607258972.db2.gz ZUOFZXVHFKYZAJ-MRVPVSSYSA-N -1 3 378.443 0.447 20 0 GCADHM NC(=O)Cn1cc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)nn1 ZINC000822873867 599135413 /nfs/dbraw/zinc/13/54/13/599135413.db2.gz NIJKTNHVWZROED-UHFFFAOYSA-N -1 3 390.363 0.830 20 0 GCADHM NC(=O)Cn1cc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)nn1 ZINC000822873867 599135415 /nfs/dbraw/zinc/13/54/15/599135415.db2.gz NIJKTNHVWZROED-UHFFFAOYSA-N -1 3 390.363 0.830 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1cn(Cc2cccs2)nn1 ZINC000823202568 599142857 /nfs/dbraw/zinc/14/28/57/599142857.db2.gz XENGCBRVQQXTAW-UHFFFAOYSA-N -1 3 396.440 0.805 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cn(Cc2cccs2)nn1 ZINC000823202568 599142858 /nfs/dbraw/zinc/14/28/58/599142858.db2.gz XENGCBRVQQXTAW-UHFFFAOYSA-N -1 3 396.440 0.805 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cn(CC(N)=O)nn1 ZINC000820087302 599145892 /nfs/dbraw/zinc/14/58/92/599145892.db2.gz PDCGWZQVLCNSOC-UHFFFAOYSA-N -1 3 383.416 0.242 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cn(CC(N)=O)nn1 ZINC000820087302 599145894 /nfs/dbraw/zinc/14/58/94/599145894.db2.gz PDCGWZQVLCNSOC-UHFFFAOYSA-N -1 3 383.416 0.242 20 0 GCADHM CCCOC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736487531 599148495 /nfs/dbraw/zinc/14/84/95/599148495.db2.gz HJJWSLBYGZYRIB-JTQLQIEISA-N -1 3 397.413 0.030 20 0 GCADHM CCCOC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736487531 599148498 /nfs/dbraw/zinc/14/84/98/599148498.db2.gz HJJWSLBYGZYRIB-JTQLQIEISA-N -1 3 397.413 0.030 20 0 GCADHM CCCOC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736487533 599148827 /nfs/dbraw/zinc/14/88/27/599148827.db2.gz HJJWSLBYGZYRIB-SNVBAGLBSA-N -1 3 397.413 0.030 20 0 GCADHM CCCOC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736487533 599148829 /nfs/dbraw/zinc/14/88/29/599148829.db2.gz HJJWSLBYGZYRIB-SNVBAGLBSA-N -1 3 397.413 0.030 20 0 GCADHM CCOC(=O)C[C@H](C)[S@](=O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736592245 599156055 /nfs/dbraw/zinc/15/60/55/599156055.db2.gz BFOZEUHXZVLGNW-KPHLJTLVSA-N -1 3 379.442 0.573 20 0 GCADHM NC(=O)CNC(=O)c1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737753803 599157263 /nfs/dbraw/zinc/15/72/63/599157263.db2.gz RNIQDGNMJDHMNU-YFHOEESVSA-N -1 3 392.375 0.701 20 0 GCADHM NC(=O)CNC(=O)c1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737753803 599157265 /nfs/dbraw/zinc/15/72/65/599157265.db2.gz RNIQDGNMJDHMNU-YFHOEESVSA-N -1 3 392.375 0.701 20 0 GCADHM CCN1CCO[C@H](CNC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000736568094 599164295 /nfs/dbraw/zinc/16/42/95/599164295.db2.gz IRFYAGWOXBTOHS-CYBMUJFWSA-N -1 3 376.417 0.091 20 0 GCADHM CCN1CCO[C@@H](CNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736570163 599165063 /nfs/dbraw/zinc/16/50/63/599165063.db2.gz WLNMRWHBUNWVRT-HNNXBMFYSA-N -1 3 376.486 0.937 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823136199 599172492 /nfs/dbraw/zinc/17/24/92/599172492.db2.gz OEKLUVOTHYQIEZ-UHFFFAOYSA-N -1 3 380.343 0.427 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823136199 599172493 /nfs/dbraw/zinc/17/24/93/599172493.db2.gz OEKLUVOTHYQIEZ-UHFFFAOYSA-N -1 3 380.343 0.427 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1cn(Cc2ccccn2)nn1 ZINC000823241933 599175489 /nfs/dbraw/zinc/17/54/89/599175489.db2.gz KRPLIALBWXCAPR-UHFFFAOYSA-N -1 3 379.359 0.971 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cn(Cc2ccccn2)nn1 ZINC000823241933 599175491 /nfs/dbraw/zinc/17/54/91/599175491.db2.gz KRPLIALBWXCAPR-UHFFFAOYSA-N -1 3 379.359 0.971 20 0 GCADHM Cc1ncc2c(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737500738 599183575 /nfs/dbraw/zinc/18/35/75/599183575.db2.gz PDKPVPHPIPLWHJ-MRXNPFEDSA-N -1 3 392.423 0.889 20 0 GCADHM Cc1ncc2c(n1)CCC[C@H]2NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737500738 599183578 /nfs/dbraw/zinc/18/35/78/599183578.db2.gz PDKPVPHPIPLWHJ-MRXNPFEDSA-N -1 3 392.423 0.889 20 0 GCADHM COc1ccccc1[C@H](CO)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737140428 599189970 /nfs/dbraw/zinc/18/99/70/599189970.db2.gz CXPFKGAFDHLGKI-AWEZNQCLSA-N -1 3 398.427 0.715 20 0 GCADHM COc1ccccc1[C@H](CO)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737140428 599189973 /nfs/dbraw/zinc/18/99/73/599189973.db2.gz CXPFKGAFDHLGKI-AWEZNQCLSA-N -1 3 398.427 0.715 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000820525554 599186512 /nfs/dbraw/zinc/18/65/12/599186512.db2.gz FXGANDAHSPTHNX-LBPRGKRZSA-N -1 3 396.407 0.815 20 0 GCADHM Cn1cc([C@H]2CCN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)C2)cn1 ZINC000737605341 599191156 /nfs/dbraw/zinc/19/11/56/599191156.db2.gz NFTRKIAERAPLRI-LBPRGKRZSA-N -1 3 382.432 0.606 20 0 GCADHM Cn1cc([C@H]2CCN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)C2)cn1 ZINC000737605341 599191159 /nfs/dbraw/zinc/19/11/59/599191159.db2.gz NFTRKIAERAPLRI-LBPRGKRZSA-N -1 3 382.432 0.606 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@@H](CO)c1ccc(F)cc1 ZINC000738077196 599191584 /nfs/dbraw/zinc/19/15/84/599191584.db2.gz BUUNZXSDBQUWQZ-AWEZNQCLSA-N -1 3 386.391 0.846 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@@H](CO)c1ccc(F)cc1 ZINC000738077196 599191587 /nfs/dbraw/zinc/19/15/87/599191587.db2.gz BUUNZXSDBQUWQZ-AWEZNQCLSA-N -1 3 386.391 0.846 20 0 GCADHM Cn1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(=O)n(C)c1=O ZINC000737610400 599192148 /nfs/dbraw/zinc/19/21/48/599192148.db2.gz OUPLJALVIFIMBU-UHFFFAOYSA-N -1 3 399.411 0.452 20 0 GCADHM Cn1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c(=O)n(C)c1=O ZINC000737610400 599192152 /nfs/dbraw/zinc/19/21/52/599192152.db2.gz OUPLJALVIFIMBU-UHFFFAOYSA-N -1 3 399.411 0.452 20 0 GCADHM O=C(CCCn1ccccc1=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737835971 599195393 /nfs/dbraw/zinc/19/53/93/599195393.db2.gz KGOIHJHOEGDSLD-UHFFFAOYSA-N -1 3 394.439 0.552 20 0 GCADHM O=C(CCCn1ccccc1=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737835971 599195395 /nfs/dbraw/zinc/19/53/95/599195395.db2.gz KGOIHJHOEGDSLD-UHFFFAOYSA-N -1 3 394.439 0.552 20 0 GCADHM Cn1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)c(=O)n(C)c1=O ZINC000737602492 599195585 /nfs/dbraw/zinc/19/55/85/599195585.db2.gz JNWYYPCNKOXIPA-UHFFFAOYSA-N -1 3 393.310 0.118 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822205649 599196130 /nfs/dbraw/zinc/19/61/30/599196130.db2.gz CDTVWVYWGYRBEB-AWEZNQCLSA-N -1 3 396.411 0.209 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCc1nnnn1C1CC1 ZINC000821701419 599201570 /nfs/dbraw/zinc/20/15/70/599201570.db2.gz NXNFVNCONLPKDJ-UHFFFAOYSA-N -1 3 399.415 0.672 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCc1nnnn1C1CC1 ZINC000821701419 599201573 /nfs/dbraw/zinc/20/15/73/599201573.db2.gz NXNFVNCONLPKDJ-UHFFFAOYSA-N -1 3 399.415 0.672 20 0 GCADHM COCCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737006387 599202154 /nfs/dbraw/zinc/20/21/54/599202154.db2.gz HOKQHYUVUILOKT-AWEZNQCLSA-N -1 3 388.428 0.341 20 0 GCADHM COCCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737006387 599202156 /nfs/dbraw/zinc/20/21/56/599202156.db2.gz HOKQHYUVUILOKT-AWEZNQCLSA-N -1 3 388.428 0.341 20 0 GCADHM COCCN(C(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736990049 599204687 /nfs/dbraw/zinc/20/46/87/599204687.db2.gz YJPZOPXPQGOGQY-GFCCVEGCSA-N -1 3 377.426 0.795 20 0 GCADHM COCCN(C(=O)C[C@H]1C=CS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736990049 599204690 /nfs/dbraw/zinc/20/46/90/599204690.db2.gz YJPZOPXPQGOGQY-GFCCVEGCSA-N -1 3 377.426 0.795 20 0 GCADHM CCc1nncn1CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000821555004 599205175 /nfs/dbraw/zinc/20/51/75/599205175.db2.gz YCDLOTFEILRPMM-OAHLLOKOSA-N -1 3 381.444 0.806 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)C1 ZINC000737169382 599206454 /nfs/dbraw/zinc/20/64/54/599206454.db2.gz VTERBSBLYSGGJW-SSDOTTSWSA-N -1 3 377.352 0.408 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)C1 ZINC000737169382 599206457 /nfs/dbraw/zinc/20/64/57/599206457.db2.gz VTERBSBLYSGGJW-SSDOTTSWSA-N -1 3 377.352 0.408 20 0 GCADHM O=C(NCc1nnnn1C1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823269868 599202647 /nfs/dbraw/zinc/20/26/47/599202647.db2.gz SAZJMQFUORWHNO-UHFFFAOYSA-N -1 3 388.779 0.096 20 0 GCADHM O=C(NCc1nnnn1C1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823269868 599202649 /nfs/dbraw/zinc/20/26/49/599202649.db2.gz SAZJMQFUORWHNO-UHFFFAOYSA-N -1 3 388.779 0.096 20 0 GCADHM CC(C)[C@@]1(C)CC(=O)N(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1=O ZINC000735747482 599203123 /nfs/dbraw/zinc/20/31/23/599203123.db2.gz RFMHYDMOPBLDRX-LJQANCHMSA-N -1 3 398.471 0.762 20 0 GCADHM CC(C)[C@@]1(C)CC(=O)N(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1=O ZINC000735747482 599203126 /nfs/dbraw/zinc/20/31/26/599203126.db2.gz RFMHYDMOPBLDRX-LJQANCHMSA-N -1 3 398.471 0.762 20 0 GCADHM C[C@H]1C[C@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658758 599207809 /nfs/dbraw/zinc/20/78/09/599207809.db2.gz UROQIMJJIZCDAY-NHYWBVRUSA-N -1 3 395.427 0.322 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000823077875 599210778 /nfs/dbraw/zinc/21/07/78/599210778.db2.gz BRJOQRXTJPCKIG-CYBMUJFWSA-N -1 3 387.425 0.604 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000823077875 599210781 /nfs/dbraw/zinc/21/07/81/599210781.db2.gz BRJOQRXTJPCKIG-CYBMUJFWSA-N -1 3 387.425 0.604 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1CC ZINC000736623399 599210191 /nfs/dbraw/zinc/21/01/91/599210191.db2.gz GRPFEJMRVASICS-HNNXBMFYSA-N -1 3 394.501 0.988 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1CC ZINC000736623399 599210193 /nfs/dbraw/zinc/21/01/93/599210193.db2.gz GRPFEJMRVASICS-HNNXBMFYSA-N -1 3 394.501 0.988 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1CC ZINC000736623867 599210294 /nfs/dbraw/zinc/21/02/94/599210294.db2.gz NSRMBWTXOJVRMP-HNNXBMFYSA-N -1 3 394.501 0.988 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1CC ZINC000736623867 599210295 /nfs/dbraw/zinc/21/02/95/599210295.db2.gz NSRMBWTXOJVRMP-HNNXBMFYSA-N -1 3 394.501 0.988 20 0 GCADHM C[C@@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736112967 599211774 /nfs/dbraw/zinc/21/17/74/599211774.db2.gz LJMYVZOZESELHP-ZWNOBZJWSA-N -1 3 379.446 0.261 20 0 GCADHM C[C@@H](NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736112967 599211778 /nfs/dbraw/zinc/21/17/78/599211778.db2.gz LJMYVZOZESELHP-ZWNOBZJWSA-N -1 3 379.446 0.261 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737198044 599212394 /nfs/dbraw/zinc/21/23/94/599212394.db2.gz DZPMIKMAWQFXEU-UHFFFAOYSA-N -1 3 394.395 0.249 20 0 GCADHM C[S@@](=O)CCNC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737174978 599215237 /nfs/dbraw/zinc/21/52/37/599215237.db2.gz YZMYOIQKINCHQW-AREMUKBSSA-N -1 3 381.437 0.216 20 0 GCADHM C[S@@](=O)CCNC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737174978 599215240 /nfs/dbraw/zinc/21/52/40/599215240.db2.gz YZMYOIQKINCHQW-AREMUKBSSA-N -1 3 381.437 0.216 20 0 GCADHM COCCOC1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737006262 599215311 /nfs/dbraw/zinc/21/53/11/599215311.db2.gz QAXUHBMSVRMCBA-UHFFFAOYSA-N -1 3 388.428 0.251 20 0 GCADHM COCCOC1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737006262 599215313 /nfs/dbraw/zinc/21/53/13/599215313.db2.gz QAXUHBMSVRMCBA-UHFFFAOYSA-N -1 3 388.428 0.251 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)cn3)C2=O)n(C)n1 ZINC000822207359 599216250 /nfs/dbraw/zinc/21/62/50/599216250.db2.gz SZCBHLYPWVJEIJ-ZDUSSCGKSA-N -1 3 381.400 0.229 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)cn3)C2=O)n(C)n1 ZINC000822207359 599216253 /nfs/dbraw/zinc/21/62/53/599216253.db2.gz SZCBHLYPWVJEIJ-ZDUSSCGKSA-N -1 3 381.400 0.229 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000738091084 599216744 /nfs/dbraw/zinc/21/67/44/599216744.db2.gz ZAGRPDKYDLCVMF-NSHDSACASA-N -1 3 398.345 0.773 20 0 GCADHM CC[S@](=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736662981 599219027 /nfs/dbraw/zinc/21/90/27/599219027.db2.gz ACQJYSMPZSMALS-MHZLTWQESA-N -1 3 394.457 0.477 20 0 GCADHM CC[S@](=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736662981 599219029 /nfs/dbraw/zinc/21/90/29/599219029.db2.gz ACQJYSMPZSMALS-MHZLTWQESA-N -1 3 394.457 0.477 20 0 GCADHM COCCOC1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000737005004 599219120 /nfs/dbraw/zinc/21/91/20/599219120.db2.gz DNOSALULZRIXGP-UHFFFAOYSA-N -1 3 390.448 0.511 20 0 GCADHM COCCOC1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000737005004 599219123 /nfs/dbraw/zinc/21/91/23/599219123.db2.gz DNOSALULZRIXGP-UHFFFAOYSA-N -1 3 390.448 0.511 20 0 GCADHM O=C(NCC[S@](=O)Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738085416 599219241 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Cc1c(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)cccc1-c1nnn[n-]1 ZINC000822045491 607273894 /nfs/dbraw/zinc/27/38/94/607273894.db2.gz RTPPWAVYZQKVDL-UHFFFAOYSA-N -1 3 383.412 0.194 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)cccc1-c1nn[n-]n1 ZINC000822045491 607273895 /nfs/dbraw/zinc/27/38/95/607273895.db2.gz RTPPWAVYZQKVDL-UHFFFAOYSA-N -1 3 383.412 0.194 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)cccc1-c1nnn[n-]1 ZINC000822043727 607273906 /nfs/dbraw/zinc/27/39/06/607273906.db2.gz HCEDDYVELZFDLM-UHFFFAOYSA-N -1 3 397.361 0.820 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)cccc1-c1nn[n-]n1 ZINC000822043727 607273907 /nfs/dbraw/zinc/27/39/07/607273907.db2.gz HCEDDYVELZFDLM-UHFFFAOYSA-N -1 3 397.361 0.820 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@@H](O)COCC(C)C)cccc1-c1nnn[n-]1 ZINC000822052182 607274093 /nfs/dbraw/zinc/27/40/93/607274093.db2.gz ADYAIEXVFHHVJD-GFCCVEGCSA-N -1 3 376.417 0.263 20 0 GCADHM Cc1c(NC(=O)C(=O)NC[C@@H](O)COCC(C)C)cccc1-c1nn[n-]n1 ZINC000822052182 607274094 /nfs/dbraw/zinc/27/40/94/607274094.db2.gz ADYAIEXVFHHVJD-GFCCVEGCSA-N -1 3 376.417 0.263 20 0 GCADHM COC(=O)N1CCC(NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CC1 ZINC000821664907 607274491 /nfs/dbraw/zinc/27/44/91/607274491.db2.gz NLIIFAMLVWTLIN-UHFFFAOYSA-N -1 3 387.400 0.461 20 0 GCADHM COC(=O)N1CCC(NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000821664907 607274492 /nfs/dbraw/zinc/27/44/92/607274492.db2.gz NLIIFAMLVWTLIN-UHFFFAOYSA-N -1 3 387.400 0.461 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)cccc1-c1nn[n-]n1 ZINC000822045979 607278563 /nfs/dbraw/zinc/27/85/63/607278563.db2.gz VXMFUADANDMZRK-RYUDHWBXSA-N -1 3 387.444 0.027 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)cccc1-c1nnn[n-]1 ZINC000822053022 607278722 /nfs/dbraw/zinc/27/87/22/607278722.db2.gz JFBUEJCVMAGZEG-UHFFFAOYSA-N -1 3 392.441 0.055 20 0 GCADHM Cc1c(NC(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)cccc1-c1nn[n-]n1 ZINC000822053022 607278723 /nfs/dbraw/zinc/27/87/23/607278723.db2.gz JFBUEJCVMAGZEG-UHFFFAOYSA-N -1 3 392.441 0.055 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cccc1-c1nnn[n-]1 ZINC000822043181 607278869 /nfs/dbraw/zinc/27/88/69/607278869.db2.gz BRWVYVWSAWDONF-LSDHHAIUSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cccc1-c1nn[n-]n1 ZINC000822043181 607278870 /nfs/dbraw/zinc/27/88/70/607278870.db2.gz BRWVYVWSAWDONF-LSDHHAIUSA-N -1 3 386.412 0.520 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cccc1-c1nnn[n-]1 ZINC000822044983 607279069 /nfs/dbraw/zinc/27/90/69/607279069.db2.gz NZTSGJGNZHSYAI-PXWWUCIGSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cccc1-c1nn[n-]n1 ZINC000822044983 607279070 /nfs/dbraw/zinc/27/90/70/607279070.db2.gz NZTSGJGNZHSYAI-PXWWUCIGSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H](c3cnn(C)c3)C2)cccc1-c1nnn[n-]1 ZINC000822045429 607279162 /nfs/dbraw/zinc/27/91/62/607279162.db2.gz QYNJYFZMCMDCAN-HNNXBMFYSA-N -1 3 396.411 0.447 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H](c3cnn(C)c3)C2)cccc1-c1nn[n-]n1 ZINC000822045429 607279163 /nfs/dbraw/zinc/27/91/63/607279163.db2.gz QYNJYFZMCMDCAN-HNNXBMFYSA-N -1 3 396.411 0.447 20 0 GCADHM Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000822462649 607279394 /nfs/dbraw/zinc/27/93/94/607279394.db2.gz KMPYQODRKOHNKM-CYBMUJFWSA-N -1 3 381.400 0.665 20 0 GCADHM Cc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000822462649 607279395 /nfs/dbraw/zinc/27/93/95/607279395.db2.gz KMPYQODRKOHNKM-CYBMUJFWSA-N -1 3 381.400 0.665 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)C2 ZINC000821727788 607279538 /nfs/dbraw/zinc/27/95/38/607279538.db2.gz OCBOIRAVRCENHV-UHFFFAOYSA-N -1 3 394.395 0.497 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)C2 ZINC000821727788 607279539 /nfs/dbraw/zinc/27/95/39/607279539.db2.gz OCBOIRAVRCENHV-UHFFFAOYSA-N -1 3 394.395 0.497 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)Nc3cccc(-c4nnn[n-]4)c3C)CCN2C1=O ZINC000821243083 607280533 /nfs/dbraw/zinc/28/05/33/607280533.db2.gz YUVSJZCGARBCIL-ZDUSSCGKSA-N -1 3 384.400 0.675 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)Nc3cccc(-c4nn[n-]n4)c3C)CCN2C1=O ZINC000821243083 607280534 /nfs/dbraw/zinc/28/05/34/607280534.db2.gz YUVSJZCGARBCIL-ZDUSSCGKSA-N -1 3 384.400 0.675 20 0 GCADHM Cn1ccc(N2CCC[C@@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000737610903 599252047 /nfs/dbraw/zinc/25/20/47/599252047.db2.gz AFORPUZAFCNRTF-CQSZACIVSA-N -1 3 395.427 0.324 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000738198588 599253219 /nfs/dbraw/zinc/25/32/19/599253219.db2.gz XCGQCERSQBFLQG-SECBINFHSA-N -1 3 385.334 0.953 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000738198588 599253222 /nfs/dbraw/zinc/25/32/22/599253222.db2.gz XCGQCERSQBFLQG-SECBINFHSA-N -1 3 385.334 0.953 20 0 GCADHM O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccncc1-c1nnn[n-]1 ZINC000737879630 599257924 /nfs/dbraw/zinc/25/79/24/599257924.db2.gz VVJNQWPNFFOZCN-UHFFFAOYSA-N -1 3 385.771 0.701 20 0 GCADHM O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccncc1-c1nn[n-]n1 ZINC000737879630 599257925 /nfs/dbraw/zinc/25/79/25/599257925.db2.gz VVJNQWPNFFOZCN-UHFFFAOYSA-N -1 3 385.771 0.701 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736188956 599261525 /nfs/dbraw/zinc/26/15/25/599261525.db2.gz MYGXYFPNBHVSIG-CYBMUJFWSA-N -1 3 380.412 0.773 20 0 GCADHM Cc1c(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cccc1-c1nnn[n-]1 ZINC000822084532 607291431 /nfs/dbraw/zinc/29/14/31/607291431.db2.gz MGRDWFYRDQLXNB-UHFFFAOYSA-N -1 3 381.400 0.789 20 0 GCADHM Cc1c(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cccc1-c1nn[n-]n1 ZINC000822084532 607291432 /nfs/dbraw/zinc/29/14/32/607291432.db2.gz MGRDWFYRDQLXNB-UHFFFAOYSA-N -1 3 381.400 0.789 20 0 GCADHM Cc1c(NC(=O)NCC2CCN(S(C)(=O)=O)CC2)cccc1-c1nnn[n-]1 ZINC000822096671 607292624 /nfs/dbraw/zinc/29/26/24/607292624.db2.gz PGSCYOBRNVGOGN-UHFFFAOYSA-N -1 3 393.473 0.968 20 0 GCADHM Cc1c(NC(=O)NCC2CCN(S(C)(=O)=O)CC2)cccc1-c1nn[n-]n1 ZINC000822096671 607292625 /nfs/dbraw/zinc/29/26/25/607292625.db2.gz PGSCYOBRNVGOGN-UHFFFAOYSA-N -1 3 393.473 0.968 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000820317029 607292911 /nfs/dbraw/zinc/29/29/11/607292911.db2.gz ZQNCNESILAGHPW-TVQRCGJNSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)[C@H]1CN(C)CCO1 ZINC000820317029 607292912 /nfs/dbraw/zinc/29/29/12/607292912.db2.gz ZQNCNESILAGHPW-TVQRCGJNSA-N -1 3 393.835 0.294 20 0 GCADHM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)N(CCN(C)C)CC(=O)[O-])C2=O ZINC000820221563 597411935 /nfs/dbraw/zinc/41/19/35/597411935.db2.gz RBLGZDIZBQGDAP-IVWMJMPLSA-N -1 3 382.461 0.208 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC[C@@H](O)CN1CCOCC1 ZINC000822204052 607302986 /nfs/dbraw/zinc/30/29/86/607302986.db2.gz BRBBNEHVJZFCMP-CYBMUJFWSA-N -1 3 387.419 0.389 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC[C@@H](O)CN1CCOCC1 ZINC000822204052 607302987 /nfs/dbraw/zinc/30/29/87/607302987.db2.gz BRBBNEHVJZFCMP-CYBMUJFWSA-N -1 3 387.419 0.389 20 0 GCADHM Cc1c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cccc1-c1nnn[n-]1 ZINC000822061567 607295657 /nfs/dbraw/zinc/29/56/57/607295657.db2.gz QJPJDPOGPLVQJM-UHFFFAOYSA-N -1 3 385.409 0.611 20 0 GCADHM Cc1c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cccc1-c1nn[n-]n1 ZINC000822061567 607295658 /nfs/dbraw/zinc/29/56/58/607295658.db2.gz QJPJDPOGPLVQJM-UHFFFAOYSA-N -1 3 385.409 0.611 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820965875 607300418 /nfs/dbraw/zinc/30/04/18/607300418.db2.gz AIZWIZAIQBNIBJ-AWEZNQCLSA-N -1 3 385.428 0.713 20 0 GCADHM CC[C@H]1C(=O)NCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820965875 607300419 /nfs/dbraw/zinc/30/04/19/607300419.db2.gz AIZWIZAIQBNIBJ-AWEZNQCLSA-N -1 3 385.428 0.713 20 0 GCADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823497982 607301872 /nfs/dbraw/zinc/30/18/72/607301872.db2.gz COPZQZDXFGLVHD-NSHDSACASA-N -1 3 377.836 0.709 20 0 GCADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CC[C@@H](CN2CCOCC2)C1 ZINC000823497982 607301873 /nfs/dbraw/zinc/30/18/73/607301873.db2.gz COPZQZDXFGLVHD-NSHDSACASA-N -1 3 377.836 0.709 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736188956 599261523 /nfs/dbraw/zinc/26/15/23/599261523.db2.gz MYGXYFPNBHVSIG-CYBMUJFWSA-N -1 3 380.412 0.773 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(Cc3ccco3)CC2)c(-c2nnn[n-]2)c1 ZINC000737769919 599263643 /nfs/dbraw/zinc/26/36/43/599263643.db2.gz QYEUWTAARJNQRO-UHFFFAOYSA-N -1 3 389.441 0.429 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCN(Cc3ccco3)CC2)c(-c2nn[n-]n2)c1 ZINC000737769919 599263645 /nfs/dbraw/zinc/26/36/45/599263645.db2.gz QYEUWTAARJNQRO-UHFFFAOYSA-N -1 3 389.441 0.429 20 0 GCADHM CS(=O)(=O)Nc1cccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821937639 607311501 /nfs/dbraw/zinc/31/15/01/607311501.db2.gz ONXJHKIWXMZGPH-SNVBAGLBSA-N -1 3 389.445 0.589 20 0 GCADHM CS(=O)(=O)Nc1cccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821937639 607311502 /nfs/dbraw/zinc/31/15/02/607311502.db2.gz ONXJHKIWXMZGPH-SNVBAGLBSA-N -1 3 389.445 0.589 20 0 GCADHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819899139 607316387 /nfs/dbraw/zinc/31/63/87/607316387.db2.gz NZERMUNLVFDZGU-GFCCVEGCSA-N -1 3 384.437 0.586 20 0 GCADHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819899139 607316388 /nfs/dbraw/zinc/31/63/88/607316388.db2.gz NZERMUNLVFDZGU-GFCCVEGCSA-N -1 3 384.437 0.586 20 0 GCADHM CNC(=O)c1ccc(OC)c(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000821635044 607312522 /nfs/dbraw/zinc/31/25/22/607312522.db2.gz JGWUCJREBJPKMZ-SNVBAGLBSA-N -1 3 383.416 0.585 20 0 GCADHM CNC(=O)c1ccc(OC)c(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000821635044 607312523 /nfs/dbraw/zinc/31/25/23/607312523.db2.gz JGWUCJREBJPKMZ-SNVBAGLBSA-N -1 3 383.416 0.585 20 0 GCADHM Cc1cc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)ccc1-n1cnnn1 ZINC000822209408 607312862 /nfs/dbraw/zinc/31/28/62/607312862.db2.gz HRSNJCBLSQZPNJ-LLVKDONJSA-N -1 3 378.404 0.501 20 0 GCADHM Cc1cc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)ccc1-n1cnnn1 ZINC000822209408 607312863 /nfs/dbraw/zinc/31/28/63/607312863.db2.gz HRSNJCBLSQZPNJ-LLVKDONJSA-N -1 3 378.404 0.501 20 0 GCADHM Fc1cc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)ccc1-n1cncn1 ZINC000822753282 607313735 /nfs/dbraw/zinc/31/37/35/607313735.db2.gz LLHJEDPSJDMPFI-JTQLQIEISA-N -1 3 381.379 0.937 20 0 GCADHM Fc1cc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)ccc1-n1cncn1 ZINC000822753282 607313736 /nfs/dbraw/zinc/31/37/36/607313736.db2.gz LLHJEDPSJDMPFI-JTQLQIEISA-N -1 3 381.379 0.937 20 0 GCADHM CN(Cc1cnccn1)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736829913 599265147 /nfs/dbraw/zinc/26/51/47/599265147.db2.gz MMFNJJVTLINJLP-UHFFFAOYSA-N -1 3 376.384 0.697 20 0 GCADHM CN(Cc1cnccn1)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736829913 599265149 /nfs/dbraw/zinc/26/51/49/599265149.db2.gz MMFNJJVTLINJLP-UHFFFAOYSA-N -1 3 376.384 0.697 20 0 GCADHM CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)cc21 ZINC000818385813 597523221 /nfs/dbraw/zinc/52/32/21/597523221.db2.gz UQLMUELIJJFOTD-LLVKDONJSA-N -1 3 390.396 0.028 20 0 GCADHM O=C([O-])[C@H]1CCN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)C1 ZINC000819287377 597537324 /nfs/dbraw/zinc/53/73/24/597537324.db2.gz SGJYQCZTUXGLDD-JXFKEZNVSA-N -1 3 386.452 0.937 20 0 GCADHM CNC(=O)CCOc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000821633122 607317257 /nfs/dbraw/zinc/31/72/57/607317257.db2.gz ZJPDCBRDPGFOLS-LBPRGKRZSA-N -1 3 397.443 0.732 20 0 GCADHM CNC(=O)CCOc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000821633122 607317258 /nfs/dbraw/zinc/31/72/58/607317258.db2.gz ZJPDCBRDPGFOLS-LBPRGKRZSA-N -1 3 397.443 0.732 20 0 GCADHM COC[C@@H](C)S(=O)(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736969625 599274141 /nfs/dbraw/zinc/27/41/41/599274141.db2.gz MEIYGUMMMBZVSN-CYBMUJFWSA-N -1 3 380.474 0.744 20 0 GCADHM COC[C@@H](C)S(=O)(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736969625 599274142 /nfs/dbraw/zinc/27/41/42/599274142.db2.gz MEIYGUMMMBZVSN-CYBMUJFWSA-N -1 3 380.474 0.744 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736170874 599275825 /nfs/dbraw/zinc/27/58/25/599275825.db2.gz SFSAGFWWVQCPSJ-SWLSCSKDSA-N -1 3 384.400 0.153 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737610837 599276522 /nfs/dbraw/zinc/27/65/22/599276522.db2.gz RMVVPVLMAWARBH-AWEZNQCLSA-N -1 3 381.400 0.205 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737610837 599276524 /nfs/dbraw/zinc/27/65/24/599276524.db2.gz RMVVPVLMAWARBH-AWEZNQCLSA-N -1 3 381.400 0.205 20 0 GCADHM Cn1cccc(NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1=O ZINC000822689532 599284558 /nfs/dbraw/zinc/28/45/58/599284558.db2.gz KXFJUKMIYCCADU-UHFFFAOYSA-N -1 3 395.427 0.751 20 0 GCADHM Cn1cccc(NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1=O ZINC000822689532 599284560 /nfs/dbraw/zinc/28/45/60/599284560.db2.gz KXFJUKMIYCCADU-UHFFFAOYSA-N -1 3 395.427 0.751 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821926468 599287350 /nfs/dbraw/zinc/28/73/50/599287350.db2.gz GHQNNYMEBVHUKY-UHFFFAOYSA-N -1 3 390.429 0.430 20 0 GCADHM CS(=O)(=O)CCn1ccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821926468 599287352 /nfs/dbraw/zinc/28/73/52/599287352.db2.gz GHQNNYMEBVHUKY-UHFFFAOYSA-N -1 3 390.429 0.430 20 0 GCADHM NC(=O)COCCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822868690 607324734 /nfs/dbraw/zinc/32/47/34/607324734.db2.gz FKMRCUSDOICFKL-UHFFFAOYSA-N -1 3 386.368 0.270 20 0 GCADHM NC(=O)[C@@H](Sc1nnc(-c2ccccn2)n1N)c1ccc(-c2nnn[n-]2)cc1 ZINC000737740439 599290518 /nfs/dbraw/zinc/29/05/18/599290518.db2.gz MPLTVRXXJXXGOY-LBPRGKRZSA-N -1 3 394.424 0.553 20 0 GCADHM NC(=O)[C@@H](Sc1nnc(-c2ccccn2)n1N)c1ccc(-c2nn[n-]n2)cc1 ZINC000737740439 599290520 /nfs/dbraw/zinc/29/05/20/599290520.db2.gz MPLTVRXXJXXGOY-LBPRGKRZSA-N -1 3 394.424 0.553 20 0 GCADHM Cc1c[nH]c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822394491 607324344 /nfs/dbraw/zinc/32/43/44/607324344.db2.gz 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O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000823551444 607332292 /nfs/dbraw/zinc/33/22/92/607332292.db2.gz QZDYUDREKCTHOM-CYBMUJFWSA-N -1 3 391.391 0.763 20 0 GCADHM O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000823551444 607332293 /nfs/dbraw/zinc/33/22/93/607332293.db2.gz QZDYUDREKCTHOM-CYBMUJFWSA-N -1 3 391.391 0.763 20 0 GCADHM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1 ZINC000823551646 607332298 /nfs/dbraw/zinc/33/22/98/607332298.db2.gz YLLFCERNQCMLAH-LBPRGKRZSA-N -1 3 391.391 0.763 20 0 GCADHM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1 ZINC000823551646 607332299 /nfs/dbraw/zinc/33/22/99/607332299.db2.gz YLLFCERNQCMLAH-LBPRGKRZSA-N -1 3 391.391 0.763 20 0 GCADHM O=C(NC[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823182897 607332757 /nfs/dbraw/zinc/33/27/57/607332757.db2.gz PQDMQWMAXHLLGL-NSHDSACASA-N -1 3 398.354 0.901 20 0 GCADHM O=C(NC[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823182897 607332758 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O=C(NCCOCC(F)(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823206555 607333725 /nfs/dbraw/zinc/33/37/25/607333725.db2.gz UYGJMVSKNZXORU-UHFFFAOYSA-N -1 3 376.270 0.639 20 0 GCADHM CC(=O)NCC1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000819802554 607335345 /nfs/dbraw/zinc/33/53/45/607335345.db2.gz FKYVPOUADYMNRU-UHFFFAOYSA-N -1 3 389.391 0.319 20 0 GCADHM CC(=O)NCC1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000819802554 607335346 /nfs/dbraw/zinc/33/53/46/607335346.db2.gz FKYVPOUADYMNRU-UHFFFAOYSA-N -1 3 389.391 0.319 20 0 GCADHM O=C(NCc1nccn1C(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823269498 607338260 /nfs/dbraw/zinc/33/82/60/607338260.db2.gz HWQJTMHQKPIMKJ-UHFFFAOYSA-N -1 3 380.290 0.852 20 0 GCADHM O=C(NCc1nccn1C(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823269498 607338262 /nfs/dbraw/zinc/33/82/62/607338262.db2.gz HWQJTMHQKPIMKJ-UHFFFAOYSA-N -1 3 380.290 0.852 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819951147 607338849 /nfs/dbraw/zinc/33/88/49/607338849.db2.gz OHSREXIJJORBOR-SANMLTNESA-N -1 3 382.421 0.608 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819951147 607338851 /nfs/dbraw/zinc/33/88/51/607338851.db2.gz OHSREXIJJORBOR-SANMLTNESA-N -1 3 382.421 0.608 20 0 GCADHM COC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000821668721 607339254 /nfs/dbraw/zinc/33/92/54/607339254.db2.gz FWBPTPQDLJOBSV-UHFFFAOYSA-N -1 3 388.315 0.640 20 0 GCADHM COC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000821668721 607339255 /nfs/dbraw/zinc/33/92/55/607339255.db2.gz FWBPTPQDLJOBSV-UHFFFAOYSA-N -1 3 388.315 0.640 20 0 GCADHM CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820046592 607339715 /nfs/dbraw/zinc/33/97/15/607339715.db2.gz SLNWJKHYOONJOV-AWEZNQCLSA-N -1 3 375.408 0.743 20 0 GCADHM O=C(NCCN1CCSCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823196240 607339772 /nfs/dbraw/zinc/33/97/72/607339772.db2.gz AEGUUORVUSGEHG-UHFFFAOYSA-N -1 3 379.421 0.109 20 0 GCADHM O=C(NCCN1CCSCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823196240 607339773 /nfs/dbraw/zinc/33/97/73/607339773.db2.gz AEGUUORVUSGEHG-UHFFFAOYSA-N -1 3 379.421 0.109 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000823210852 607339834 /nfs/dbraw/zinc/33/98/34/607339834.db2.gz HLVMVVMEJVEXLY-NSHDSACASA-N -1 3 378.364 0.256 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000823210852 607339836 /nfs/dbraw/zinc/33/98/36/607339836.db2.gz HLVMVVMEJVEXLY-NSHDSACASA-N -1 3 378.364 0.256 20 0 GCADHM CCOC(=O)C1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC000821320984 607340566 /nfs/dbraw/zinc/34/05/66/607340566.db2.gz RWRHHZNGJOAHHM-UHFFFAOYSA-N -1 3 390.375 0.794 20 0 GCADHM CCOC(=O)C1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC000821320984 607340568 /nfs/dbraw/zinc/34/05/68/607340568.db2.gz RWRHHZNGJOAHHM-UHFFFAOYSA-N -1 3 390.375 0.794 20 0 GCADHM COC(=O)C1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCCC1 ZINC000821654256 607342364 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390.375 0.351 20 0 GCADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736288131 598231385 /nfs/dbraw/zinc/23/13/85/598231385.db2.gz QZEPACIIAVMYGG-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000736288131 598231387 /nfs/dbraw/zinc/23/13/87/598231387.db2.gz QZEPACIIAVMYGG-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)[C@@H](C)CO1 ZINC000736284879 598232670 /nfs/dbraw/zinc/23/26/70/598232670.db2.gz HIYQASNCYXZHBL-IUUKEHGRSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)[C@@H](C)CO1 ZINC000736284879 598232671 /nfs/dbraw/zinc/23/26/71/598232671.db2.gz HIYQASNCYXZHBL-IUUKEHGRSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736295046 598233377 /nfs/dbraw/zinc/23/33/77/598233377.db2.gz XJHWHCGVZOCHRK-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736295046 598233378 /nfs/dbraw/zinc/23/33/78/598233378.db2.gz XJHWHCGVZOCHRK-JTQLQIEISA-N -1 3 393.835 0.296 20 0 GCADHM COC1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)CC1 ZINC000736966521 598233408 /nfs/dbraw/zinc/23/34/08/598233408.db2.gz SNQIIPFPWGZNPL-GOSISDBHSA-N -1 3 385.428 0.702 20 0 GCADHM COC1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CC1 ZINC000736966521 598233410 /nfs/dbraw/zinc/23/34/10/598233410.db2.gz SNQIIPFPWGZNPL-GOSISDBHSA-N -1 3 385.428 0.702 20 0 GCADHM O=c1n2ccccc2nn1CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738382920 598235281 /nfs/dbraw/zinc/23/52/81/598235281.db2.gz SYYGOSDUQNTJBD-UHFFFAOYSA-N -1 3 377.412 0.456 20 0 GCADHM O=c1n2ccccc2nn1CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738382920 598235282 /nfs/dbraw/zinc/23/52/82/598235282.db2.gz SYYGOSDUQNTJBD-UHFFFAOYSA-N -1 3 377.412 0.456 20 0 GCADHM O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737986173 598237207 /nfs/dbraw/zinc/23/72/07/598237207.db2.gz DGHBKYPWRUHECO-UHFFFAOYSA-N -1 3 397.395 0.199 20 0 GCADHM O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737986173 598237208 /nfs/dbraw/zinc/23/72/08/598237208.db2.gz DGHBKYPWRUHECO-UHFFFAOYSA-N -1 3 397.395 0.199 20 0 GCADHM NS(=O)(=O)c1cnc(N2CCN(c3ccccc3-c3nn[n-]n3)CC2)s1 ZINC000737769871 598244415 /nfs/dbraw/zinc/24/44/15/598244415.db2.gz PYMBTFPZYOOQGC-UHFFFAOYSA-N -1 3 392.470 0.297 20 0 GCADHM Cc1nnc(N2CCN(C(=O)c3cccc(O)c3)CC2)c(-c2nnn[n-]2)c1C ZINC000737521505 598246860 /nfs/dbraw/zinc/24/68/60/598246860.db2.gz PNDRFDGANDUEJK-UHFFFAOYSA-N -1 3 380.412 0.942 20 0 GCADHM Cc1nnc(N2CCN(C(=O)c3cccc(O)c3)CC2)c(-c2nn[n-]n2)c1C ZINC000737521505 598246861 /nfs/dbraw/zinc/24/68/61/598246861.db2.gz PNDRFDGANDUEJK-UHFFFAOYSA-N -1 3 380.412 0.942 20 0 GCADHM COC(=O)[C@H](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736894699 598247028 /nfs/dbraw/zinc/24/70/28/598247028.db2.gz HDMDQDIOQDCUOC-QGZVFWFLSA-N -1 3 380.408 0.987 20 0 GCADHM COC(=O)[C@H](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736894699 598247030 /nfs/dbraw/zinc/24/70/30/598247030.db2.gz HDMDQDIOQDCUOC-QGZVFWFLSA-N -1 3 380.408 0.987 20 0 GCADHM COC(=O)[C@@H](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736894177 598247260 /nfs/dbraw/zinc/24/72/60/598247260.db2.gz GNLIYNRGWPYVSQ-KRWDZBQOSA-N -1 3 380.408 0.987 20 0 GCADHM COC(=O)[C@@H](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736894177 598247261 /nfs/dbraw/zinc/24/72/61/598247261.db2.gz GNLIYNRGWPYVSQ-KRWDZBQOSA-N -1 3 380.408 0.987 20 0 GCADHM CN(C)c1nc(N)nc(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000736779021 598248811 /nfs/dbraw/zinc/24/88/11/598248811.db2.gz JZLBLEYXBDWTFZ-UHFFFAOYSA-N -1 3 396.459 0.743 20 0 GCADHM CN(C)c1nc(N)nc(CN2CCC(Oc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000736779021 598248813 /nfs/dbraw/zinc/24/88/13/598248813.db2.gz JZLBLEYXBDWTFZ-UHFFFAOYSA-N -1 3 396.459 0.743 20 0 GCADHM CCCNC(=O)NC(=O)CN1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736484114 598250327 /nfs/dbraw/zinc/25/03/27/598250327.db2.gz UWMMKVBFOQQFTD-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM CCCNC(=O)NC(=O)CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736484114 598250329 /nfs/dbraw/zinc/25/03/29/598250329.db2.gz UWMMKVBFOQQFTD-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735684680 598250737 /nfs/dbraw/zinc/25/07/37/598250737.db2.gz HIDNAIXZHCAFMF-MRXNPFEDSA-N -1 3 385.472 0.720 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735684680 598250739 /nfs/dbraw/zinc/25/07/39/598250739.db2.gz HIDNAIXZHCAFMF-MRXNPFEDSA-N -1 3 385.472 0.720 20 0 GCADHM O=c1n2ccccc2nn1CCN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738383538 598251714 /nfs/dbraw/zinc/25/17/14/598251714.db2.gz VNEIPWRPLRPPHF-UHFFFAOYSA-N -1 3 391.439 0.498 20 0 GCADHM O=C1CCCN1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738304322 598254685 /nfs/dbraw/zinc/25/46/85/598254685.db2.gz XAUXKWKLFOTGGU-UHFFFAOYSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738304322 598254686 /nfs/dbraw/zinc/25/46/86/598254686.db2.gz XAUXKWKLFOTGGU-UHFFFAOYSA-N -1 3 376.442 0.642 20 0 GCADHM CCCS(=O)(=O)CCN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736491961 598256387 /nfs/dbraw/zinc/25/63/87/598256387.db2.gz GFKQVHKEVDTAOJ-UHFFFAOYSA-N -1 3 382.465 0.953 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736413022 598257329 /nfs/dbraw/zinc/25/73/29/598257329.db2.gz RZOPVLCCONGEAC-MRXNPFEDSA-N -1 3 385.472 0.864 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736413022 598257331 /nfs/dbraw/zinc/25/73/31/598257331.db2.gz RZOPVLCCONGEAC-MRXNPFEDSA-N -1 3 385.472 0.864 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(c2cccnn2)CC1 ZINC000735560236 598257503 /nfs/dbraw/zinc/25/75/03/598257503.db2.gz CMFWUJVAGPVYSQ-ZDUSSCGKSA-N -1 3 379.428 0.806 20 0 GCADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(c2cccnn2)CC1 ZINC000735560236 598257504 /nfs/dbraw/zinc/25/75/04/598257504.db2.gz CMFWUJVAGPVYSQ-ZDUSSCGKSA-N -1 3 379.428 0.806 20 0 GCADHM CN(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccsc1 ZINC000736758415 598263777 /nfs/dbraw/zinc/26/37/77/598263777.db2.gz HKOBKZRUQYNXBJ-ZDUSSCGKSA-N -1 3 379.471 0.904 20 0 GCADHM CN(C)[C@@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccsc1 ZINC000736758415 598263779 /nfs/dbraw/zinc/26/37/79/598263779.db2.gz HKOBKZRUQYNXBJ-ZDUSSCGKSA-N -1 3 379.471 0.904 20 0 GCADHM Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)o1 ZINC000737342050 598267548 /nfs/dbraw/zinc/26/75/48/598267548.db2.gz OGIYKCKCKCUEJK-UHFFFAOYSA-N -1 3 391.457 0.916 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@@H](C)N1CCOCC1 ZINC000736119923 598268629 /nfs/dbraw/zinc/26/86/29/598268629.db2.gz WUXRLTCFNQYNST-CHWSQXEVSA-N -1 3 389.464 0.082 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@@H](C)N1CCOCC1 ZINC000736119923 598268630 /nfs/dbraw/zinc/26/86/30/598268630.db2.gz WUXRLTCFNQYNST-CHWSQXEVSA-N -1 3 389.464 0.082 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H](C2OCCO2)C1 ZINC000738074207 598268857 /nfs/dbraw/zinc/26/88/57/598268857.db2.gz ISYVQCSDRQDRLO-ZDUSSCGKSA-N -1 3 388.432 0.468 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@H](C2OCCO2)C1 ZINC000738074207 598268858 /nfs/dbraw/zinc/26/88/58/598268858.db2.gz ISYVQCSDRQDRLO-ZDUSSCGKSA-N -1 3 388.432 0.468 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H](C2OCCO2)C1 ZINC000738074206 598268940 /nfs/dbraw/zinc/26/89/40/598268940.db2.gz ISYVQCSDRQDRLO-CYBMUJFWSA-N -1 3 388.432 0.468 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H](C2OCCO2)C1 ZINC000738074206 598268942 /nfs/dbraw/zinc/26/89/42/598268942.db2.gz ISYVQCSDRQDRLO-CYBMUJFWSA-N -1 3 388.432 0.468 20 0 GCADHM CC(=O)N1CCC(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000735461375 598269622 /nfs/dbraw/zinc/26/96/22/598269622.db2.gz QZSJJQZPSTUKRP-UHFFFAOYSA-N -1 3 387.448 0.231 20 0 GCADHM CC(=O)N1CCC(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000735461375 598269625 /nfs/dbraw/zinc/26/96/25/598269625.db2.gz QZSJJQZPSTUKRP-UHFFFAOYSA-N -1 3 387.448 0.231 20 0 GCADHM C[C@H]1CCCN(S(=O)(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000736276395 598271607 /nfs/dbraw/zinc/27/16/07/598271607.db2.gz HELQVDPBNDWKTK-AWEZNQCLSA-N -1 3 391.501 0.965 20 0 GCADHM C[C@H]1CCCN(S(=O)(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736276395 598271608 /nfs/dbraw/zinc/27/16/08/598271608.db2.gz HELQVDPBNDWKTK-AWEZNQCLSA-N -1 3 391.501 0.965 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735887979 598271843 /nfs/dbraw/zinc/27/18/43/598271843.db2.gz HFKODEPELZQLJY-GHMZBOCLSA-N -1 3 390.400 0.800 20 0 GCADHM O=C(NCCn1cncn1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000738094435 598271874 /nfs/dbraw/zinc/27/18/74/598271874.db2.gz HEUKGODEHZQTTR-UHFFFAOYSA-N -1 3 383.416 0.711 20 0 GCADHM O=C(NCCn1cncn1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000738094435 598271877 /nfs/dbraw/zinc/27/18/77/598271877.db2.gz HEUKGODEHZQTTR-UHFFFAOYSA-N -1 3 383.416 0.711 20 0 GCADHM CCCCNC(=O)NC(=O)COC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736459961 598272999 /nfs/dbraw/zinc/27/29/99/598272999.db2.gz CHMBDBJMYZJSGN-LLVKDONJSA-N -1 3 390.400 0.803 20 0 GCADHM O=C1Cc2ccccc2N1CCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738315216 598274449 /nfs/dbraw/zinc/27/44/49/598274449.db2.gz GBMUBIFTOHVWIA-UHFFFAOYSA-N -1 3 384.421 0.734 20 0 GCADHM O=C1Cc2ccccc2N1CCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738315216 598274452 /nfs/dbraw/zinc/27/44/52/598274452.db2.gz GBMUBIFTOHVWIA-UHFFFAOYSA-N -1 3 384.421 0.734 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000735659971 598275597 /nfs/dbraw/zinc/27/55/97/598275597.db2.gz IRSFFAQKBTWKGI-UHFFFAOYSA-N -1 3 396.477 0.532 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000735659971 598275598 /nfs/dbraw/zinc/27/55/98/598275598.db2.gz IRSFFAQKBTWKGI-UHFFFAOYSA-N -1 3 396.477 0.532 20 0 GCADHM CN(CCCNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)S(C)(=O)=O ZINC000736800542 598278027 /nfs/dbraw/zinc/27/80/27/598278027.db2.gz MNYVXMLLQMRVTK-UHFFFAOYSA-N -1 3 398.493 0.826 20 0 GCADHM CN(CCCNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)S(C)(=O)=O ZINC000736800542 598278029 /nfs/dbraw/zinc/27/80/29/598278029.db2.gz MNYVXMLLQMRVTK-UHFFFAOYSA-N -1 3 398.493 0.826 20 0 GCADHM C[C@@H](Cn1cccn1)NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736082457 598283228 /nfs/dbraw/zinc/28/32/28/598283228.db2.gz VIQMLHYAIZQQHD-AWEZNQCLSA-N -1 3 381.444 0.984 20 0 GCADHM C[C@@H](Cn1cccn1)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736082457 598283230 /nfs/dbraw/zinc/28/32/30/598283230.db2.gz VIQMLHYAIZQQHD-AWEZNQCLSA-N -1 3 381.444 0.984 20 0 GCADHM Cn1cc(CCNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)cn1 ZINC000737603366 598284524 /nfs/dbraw/zinc/28/45/24/598284524.db2.gz ZDGJJYIUSXOHSJ-UHFFFAOYSA-N -1 3 399.434 0.814 20 0 GCADHM C[C@@H](NC(=O)NCCCN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116138 598284895 /nfs/dbraw/zinc/28/48/95/598284895.db2.gz CVDXSUJINCQPIA-GFCCVEGCSA-N -1 3 393.473 0.653 20 0 GCADHM C[C@@H](NC(=O)NCCCN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116138 598284896 /nfs/dbraw/zinc/28/48/96/598284896.db2.gz CVDXSUJINCQPIA-GFCCVEGCSA-N -1 3 393.473 0.653 20 0 GCADHM Cc1[nH]nc2nc(C)cc(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)c12 ZINC000737237017 598285665 /nfs/dbraw/zinc/28/56/65/598285665.db2.gz ZKIIQROIHNFAGT-UHFFFAOYSA-N -1 3 378.400 0.992 20 0 GCADHM Cc1[nH]nc2nc(C)cc(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)c12 ZINC000737237017 598285666 /nfs/dbraw/zinc/28/56/66/598285666.db2.gz ZKIIQROIHNFAGT-UHFFFAOYSA-N -1 3 378.400 0.992 20 0 GCADHM Cc1oc(NC(=O)COC(=O)C2(C(=O)NC3CC3)CC2)c(-c2nnn[n-]2)c1C ZINC000737553932 598288183 /nfs/dbraw/zinc/28/81/83/598288183.db2.gz YBHATZWAMCGHDY-UHFFFAOYSA-N -1 3 388.384 0.617 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737900473 598288860 /nfs/dbraw/zinc/28/88/60/598288860.db2.gz KVYYIBHPPIEARE-UHFFFAOYSA-N -1 3 398.423 0.475 20 0 GCADHM O=C(COC(=O)C1(C(=O)NC2CC2)CCC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737900473 598288862 /nfs/dbraw/zinc/28/88/62/598288862.db2.gz KVYYIBHPPIEARE-UHFFFAOYSA-N -1 3 398.423 0.475 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735536436 598290570 /nfs/dbraw/zinc/29/05/70/598290570.db2.gz GHIMZDHOXZNTBQ-LSDHHAIUSA-N -1 3 385.472 0.672 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735536436 598290571 /nfs/dbraw/zinc/29/05/71/598290571.db2.gz GHIMZDHOXZNTBQ-LSDHHAIUSA-N -1 3 385.472 0.672 20 0 GCADHM O=c1cc(CS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)nc2ccccn12 ZINC000738380120 598290893 /nfs/dbraw/zinc/29/08/93/598290893.db2.gz NLTBZXKWQKGVJH-UHFFFAOYSA-N -1 3 382.405 0.990 20 0 GCADHM O=c1cc(CS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)nc2ccccn12 ZINC000738380120 598290894 /nfs/dbraw/zinc/29/08/94/598290894.db2.gz NLTBZXKWQKGVJH-UHFFFAOYSA-N -1 3 382.405 0.990 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737452811 598291743 /nfs/dbraw/zinc/29/17/43/598291743.db2.gz LVUHQCXZACWSLN-UHFFFAOYSA-N -1 3 381.444 0.967 20 0 GCADHM Cc1n[nH]c(C)c1NC(=O)CN1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737452811 598291744 /nfs/dbraw/zinc/29/17/44/598291744.db2.gz LVUHQCXZACWSLN-UHFFFAOYSA-N -1 3 381.444 0.967 20 0 GCADHM C[C@H](CN1CCCC1=O)NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736001048 598291839 /nfs/dbraw/zinc/29/18/39/598291839.db2.gz LOWLYHFCCBCXHJ-CQSZACIVSA-N -1 3 398.471 0.709 20 0 GCADHM C[C@H](CN1CCCC1=O)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736001048 598291840 /nfs/dbraw/zinc/29/18/40/598291840.db2.gz LOWLYHFCCBCXHJ-CQSZACIVSA-N -1 3 398.471 0.709 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1nncn1C ZINC000736110726 598292152 /nfs/dbraw/zinc/29/21/52/598292152.db2.gz BWXCZORIFAUHNX-GFCCVEGCSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@@H](NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1nncn1C ZINC000736110726 598292153 /nfs/dbraw/zinc/29/21/53/598292153.db2.gz BWXCZORIFAUHNX-GFCCVEGCSA-N -1 3 382.432 0.588 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)Cc1ccccc1 ZINC000737059942 598292177 /nfs/dbraw/zinc/29/21/77/598292177.db2.gz YOXPQMBNIUPBJF-CQSZACIVSA-N -1 3 396.407 0.534 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)Cc1ccccc1 ZINC000737059942 598292180 /nfs/dbraw/zinc/29/21/80/598292180.db2.gz YOXPQMBNIUPBJF-CQSZACIVSA-N -1 3 396.407 0.534 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737203523 598292301 /nfs/dbraw/zinc/29/23/01/598292301.db2.gz UWNKWOPEPKFKRS-UHFFFAOYSA-N -1 3 395.383 0.104 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737203523 598292302 /nfs/dbraw/zinc/29/23/02/598292302.db2.gz UWNKWOPEPKFKRS-UHFFFAOYSA-N -1 3 395.383 0.104 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCCN1CCCS1(=O)=O ZINC000737062286 598292387 /nfs/dbraw/zinc/29/23/87/598292387.db2.gz IEZBPVDDZRXTGT-UHFFFAOYSA-N -1 3 395.445 0.422 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCCN1CCCS1(=O)=O ZINC000737062286 598292389 /nfs/dbraw/zinc/29/23/89/598292389.db2.gz IEZBPVDDZRXTGT-UHFFFAOYSA-N -1 3 395.445 0.422 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735587011 598292859 /nfs/dbraw/zinc/29/28/59/598292859.db2.gz PPFBQDLAXKSBCV-LLVKDONJSA-N -1 3 376.421 0.226 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735587011 598292860 /nfs/dbraw/zinc/29/28/60/598292860.db2.gz PPFBQDLAXKSBCV-LLVKDONJSA-N -1 3 376.421 0.226 20 0 GCADHM CCC(=O)c1ccc(OCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736309171 598293407 /nfs/dbraw/zinc/29/34/07/598293407.db2.gz LKJCWMRABRYUOJ-UHFFFAOYSA-N -1 3 385.384 0.860 20 0 GCADHM CCC(=O)c1ccc(OCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736309171 598293408 /nfs/dbraw/zinc/29/34/08/598293408.db2.gz LKJCWMRABRYUOJ-UHFFFAOYSA-N -1 3 385.384 0.860 20 0 GCADHM COc1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc(OC)c1OC ZINC000737040148 598293467 /nfs/dbraw/zinc/29/34/67/598293467.db2.gz FKFSIZJWTYGRPX-UHFFFAOYSA-N -1 3 389.372 0.528 20 0 GCADHM COc1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc(OC)c1OC ZINC000737040148 598293468 /nfs/dbraw/zinc/29/34/68/598293468.db2.gz FKFSIZJWTYGRPX-UHFFFAOYSA-N -1 3 389.372 0.528 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cncc(Br)c1 ZINC000737775100 598293658 /nfs/dbraw/zinc/29/36/58/598293658.db2.gz YZAVYGPLYQRMSU-UHFFFAOYSA-N -1 3 379.178 0.660 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cncc(Br)c1 ZINC000737775100 598293660 /nfs/dbraw/zinc/29/36/60/598293660.db2.gz YZAVYGPLYQRMSU-UHFFFAOYSA-N -1 3 379.178 0.660 20 0 GCADHM CN(C)C(=O)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736747052 598294399 /nfs/dbraw/zinc/29/43/99/598294399.db2.gz LVYVOUVLHRCMCZ-UHFFFAOYSA-N -1 3 390.423 0.316 20 0 GCADHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000736320707 598294471 /nfs/dbraw/zinc/29/44/71/598294471.db2.gz WKTSSIRQOLDVLZ-RYUDHWBXSA-N -1 3 390.448 0.473 20 0 GCADHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000736320707 598294473 /nfs/dbraw/zinc/29/44/73/598294473.db2.gz WKTSSIRQOLDVLZ-RYUDHWBXSA-N -1 3 390.448 0.473 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CNC(=O)CCC1CCCC1 ZINC000737770016 598295095 /nfs/dbraw/zinc/29/50/95/598295095.db2.gz FLVGXROTXOONQH-UHFFFAOYSA-N -1 3 376.421 0.275 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CNC(=O)CCC1CCCC1 ZINC000737770016 598295097 /nfs/dbraw/zinc/29/50/97/598295097.db2.gz FLVGXROTXOONQH-UHFFFAOYSA-N -1 3 376.421 0.275 20 0 GCADHM S=C(NCCc1ccccn1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738401773 598296748 /nfs/dbraw/zinc/29/67/48/598296748.db2.gz UBQHWYOECXHEGJ-UHFFFAOYSA-N -1 3 395.496 0.896 20 0 GCADHM S=C(NCCc1ccccn1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738401773 598296750 /nfs/dbraw/zinc/29/67/50/598296750.db2.gz UBQHWYOECXHEGJ-UHFFFAOYSA-N -1 3 395.496 0.896 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736412982 598305306 /nfs/dbraw/zinc/30/53/06/598305306.db2.gz RVAWHDOKNJOWMF-CQSZACIVSA-N -1 3 385.428 0.713 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736412982 598305307 /nfs/dbraw/zinc/30/53/07/598305307.db2.gz RVAWHDOKNJOWMF-CQSZACIVSA-N -1 3 385.428 0.713 20 0 GCADHM O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737877634 598306503 /nfs/dbraw/zinc/30/65/03/598306503.db2.gz KFCZKALSJYGSPO-UHFFFAOYSA-N -1 3 380.339 0.918 20 0 GCADHM O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737877634 598306504 /nfs/dbraw/zinc/30/65/04/598306504.db2.gz KFCZKALSJYGSPO-UHFFFAOYSA-N -1 3 380.339 0.918 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC000735515231 598306782 /nfs/dbraw/zinc/30/67/82/598306782.db2.gz UNJSOFMCUDBIOJ-NSHDSACASA-N -1 3 386.391 0.538 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC000735515231 598306783 /nfs/dbraw/zinc/30/67/83/598306783.db2.gz UNJSOFMCUDBIOJ-NSHDSACASA-N -1 3 386.391 0.538 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@H]1CCS(=O)(=O)C1 ZINC000737031722 598307097 /nfs/dbraw/zinc/30/70/97/598307097.db2.gz CDVJCEFBDJMBNS-LBPRGKRZSA-N -1 3 396.425 0.765 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@H]1CCS(=O)(=O)C1 ZINC000737031722 598307098 /nfs/dbraw/zinc/30/70/98/598307098.db2.gz CDVJCEFBDJMBNS-LBPRGKRZSA-N -1 3 396.425 0.765 20 0 GCADHM O=C(CSCC(=O)N1CCOCC1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737931486 598309767 /nfs/dbraw/zinc/30/97/67/598309767.db2.gz HJBLWNQTGSUPSR-UHFFFAOYSA-N -1 3 394.432 0.214 20 0 GCADHM O=C(CSCC(=O)N1CCOCC1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737931486 598309768 /nfs/dbraw/zinc/30/97/68/598309768.db2.gz HJBLWNQTGSUPSR-UHFFFAOYSA-N -1 3 394.432 0.214 20 0 GCADHM COC(=O)C1CCN(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736911967 598311755 /nfs/dbraw/zinc/31/17/55/598311755.db2.gz JYKDTVLJLIZQCY-UHFFFAOYSA-N -1 3 398.420 0.225 20 0 GCADHM COC(=O)C1CCN(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736911967 598311757 /nfs/dbraw/zinc/31/17/57/598311757.db2.gz JYKDTVLJLIZQCY-UHFFFAOYSA-N -1 3 398.420 0.225 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCCN(C(N)=O)CC1 ZINC000735550526 598312248 /nfs/dbraw/zinc/31/22/48/598312248.db2.gz JMHPVDKIPKAHRT-JTQLQIEISA-N -1 3 392.851 0.934 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCCN(C(N)=O)CC1 ZINC000735550526 598312250 /nfs/dbraw/zinc/31/22/50/598312250.db2.gz JMHPVDKIPKAHRT-JTQLQIEISA-N -1 3 392.851 0.934 20 0 GCADHM O=C(CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F)NCC(F)(F)F ZINC000737890173 598319663 /nfs/dbraw/zinc/31/96/63/598319663.db2.gz VGILCEVSGUOENK-UHFFFAOYSA-N -1 3 375.286 0.484 20 0 GCADHM O=C(CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F)NCC(F)(F)F ZINC000737890173 598319665 /nfs/dbraw/zinc/31/96/65/598319665.db2.gz VGILCEVSGUOENK-UHFFFAOYSA-N -1 3 375.286 0.484 20 0 GCADHM O=S1(=O)CC[C@H](NNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000738356590 598321358 /nfs/dbraw/zinc/32/13/58/598321358.db2.gz GPZGNIAHHSFUNZ-QMMMGPOBSA-N -1 3 387.878 0.498 20 0 GCADHM O=S1(=O)CC[C@H](NNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000738356590 598321359 /nfs/dbraw/zinc/32/13/59/598321359.db2.gz GPZGNIAHHSFUNZ-QMMMGPOBSA-N -1 3 387.878 0.498 20 0 GCADHM C[C@H]1CN(C(=O)c2cccc(-c3nnn[n-]3)c2)CCN1c1nccn2cnnc12 ZINC000820743474 607349961 /nfs/dbraw/zinc/34/99/61/607349961.db2.gz UPYNEGXFQCWXAH-LBPRGKRZSA-N -1 3 390.411 0.655 20 0 GCADHM C[C@H]1CN(C(=O)c2cccc(-c3nn[n-]n3)c2)CCN1c1nccn2cnnc12 ZINC000820743474 607349963 /nfs/dbraw/zinc/34/99/63/607349963.db2.gz UPYNEGXFQCWXAH-LBPRGKRZSA-N -1 3 390.411 0.655 20 0 GCADHM NS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737764035 598323091 /nfs/dbraw/zinc/32/30/91/598323091.db2.gz CXMRSKVKHFBXIB-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM NS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737764035 598323093 /nfs/dbraw/zinc/32/30/93/598323093.db2.gz CXMRSKVKHFBXIB-UHFFFAOYSA-N -1 3 390.400 0.724 20 0 GCADHM COCC(=O)NC1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736966383 598328286 /nfs/dbraw/zinc/32/82/86/598328286.db2.gz NRVNMLHHDZUAID-UHFFFAOYSA-N -1 3 391.407 0.442 20 0 GCADHM COCC(=O)NC1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736966383 598328288 /nfs/dbraw/zinc/32/82/88/598328288.db2.gz NRVNMLHHDZUAID-UHFFFAOYSA-N -1 3 391.407 0.442 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)NCC(=O)N1CCc2ccccc2C1 ZINC000737924707 598329282 /nfs/dbraw/zinc/32/92/82/598329282.db2.gz IMZHNTHKZTVNIF-UHFFFAOYSA-N -1 3 392.419 0.947 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)NCC(=O)N1CCc2ccccc2C1 ZINC000737924707 598329284 /nfs/dbraw/zinc/32/92/84/598329284.db2.gz IMZHNTHKZTVNIF-UHFFFAOYSA-N -1 3 392.419 0.947 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736509293 598332972 /nfs/dbraw/zinc/33/29/72/598332972.db2.gz DORVXZVLBYGQAD-CYBMUJFWSA-N -1 3 376.442 0.625 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736509293 598332974 /nfs/dbraw/zinc/33/29/74/598332974.db2.gz DORVXZVLBYGQAD-CYBMUJFWSA-N -1 3 376.442 0.625 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1c1nccn2cnnc12 ZINC000820743109 607350262 /nfs/dbraw/zinc/35/02/62/607350262.db2.gz QLPMAPIUFDZVIB-GFCCVEGCSA-N -1 3 390.411 0.655 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1c1nccn2cnnc12 ZINC000820743109 607350264 /nfs/dbraw/zinc/35/02/64/607350264.db2.gz QLPMAPIUFDZVIB-GFCCVEGCSA-N -1 3 390.411 0.655 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H]2CC(=O)N(C)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483208 598333922 /nfs/dbraw/zinc/33/39/22/598333922.db2.gz MHWWVXGEZJOKLB-LLVKDONJSA-N -1 3 375.458 0.626 20 0 GCADHM Cc1nc(SCC(=O)N[C@@H]2CC(=O)N(C)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483208 598333923 /nfs/dbraw/zinc/33/39/23/598333923.db2.gz MHWWVXGEZJOKLB-LLVKDONJSA-N -1 3 375.458 0.626 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CCN1c1nccn2cnnc12 ZINC000820743735 607350326 /nfs/dbraw/zinc/35/03/26/607350326.db2.gz VDLHYGLIZCKWCT-LLVKDONJSA-N -1 3 391.399 0.050 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CCN1c1nccn2cnnc12 ZINC000820743735 607350328 /nfs/dbraw/zinc/35/03/28/607350328.db2.gz VDLHYGLIZCKWCT-LLVKDONJSA-N -1 3 391.399 0.050 20 0 GCADHM C[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nnn[n-]4)cc3)C2=O)C[C@H](C)O1 ZINC000736285926 598334580 /nfs/dbraw/zinc/33/45/80/598334580.db2.gz KYPRFCDKGUEJMC-STQMWFEESA-N -1 3 385.428 0.698 20 0 GCADHM C[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)C[C@H](C)O1 ZINC000736285926 598334581 /nfs/dbraw/zinc/33/45/81/598334581.db2.gz KYPRFCDKGUEJMC-STQMWFEESA-N -1 3 385.428 0.698 20 0 GCADHM CCN1CCO[C@@H](CN2CCN(C(=O)c3sccc3-c3nnn[n-]3)CC2)C1 ZINC000736567952 598343822 /nfs/dbraw/zinc/34/38/22/598343822.db2.gz HRDAJVBZJHOPKJ-CYBMUJFWSA-N -1 3 391.501 0.407 20 0 GCADHM CCN1CCO[C@@H](CN2CCN(C(=O)c3sccc3-c3nn[n-]n3)CC2)C1 ZINC000736567952 598343824 /nfs/dbraw/zinc/34/38/24/598343824.db2.gz HRDAJVBZJHOPKJ-CYBMUJFWSA-N -1 3 391.501 0.407 20 0 GCADHM COc1cc(C)nc(N2CCN(C(=O)c3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000737041458 598344113 /nfs/dbraw/zinc/34/41/13/598344113.db2.gz UHKMQAFFUUEZRZ-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM COc1cc(C)nc(N2CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000737041458 598344116 /nfs/dbraw/zinc/34/41/16/598344116.db2.gz UHKMQAFFUUEZRZ-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(C[C@@H](C)O)[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737553416 598344952 /nfs/dbraw/zinc/34/49/52/598344952.db2.gz VQUOOHWMLVGLFG-GHMZBOCLSA-N -1 3 377.449 0.402 20 0 GCADHM Cc1cnn(C[C@H]2CN(CC(=O)Nc3sccc3-c3nnn[n-]3)CCO2)c1 ZINC000737443964 598352912 /nfs/dbraw/zinc/35/29/12/598352912.db2.gz KHCXTFBKQQSIEE-GFCCVEGCSA-N -1 3 388.457 0.773 20 0 GCADHM Cc1cnn(C[C@H]2CN(CC(=O)Nc3sccc3-c3nn[n-]n3)CCO2)c1 ZINC000737443964 598352915 /nfs/dbraw/zinc/35/29/15/598352915.db2.gz KHCXTFBKQQSIEE-GFCCVEGCSA-N -1 3 388.457 0.773 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@@H]1C ZINC000736129220 598355613 /nfs/dbraw/zinc/35/56/13/598355613.db2.gz DPWGOXNMBUVXRV-RYUDHWBXSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@@H]1C ZINC000736129220 598355615 /nfs/dbraw/zinc/35/56/15/598355615.db2.gz DPWGOXNMBUVXRV-RYUDHWBXSA-N -1 3 378.458 0.935 20 0 GCADHM CN1C[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)CC1=O ZINC000736845488 598356129 /nfs/dbraw/zinc/35/61/29/598356129.db2.gz LMGFUEQGJVEYLV-MRVPVSSYSA-N -1 3 390.347 0.395 20 0 GCADHM CN1C[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CC1=O ZINC000736845488 598356130 /nfs/dbraw/zinc/35/61/30/598356130.db2.gz LMGFUEQGJVEYLV-MRVPVSSYSA-N -1 3 390.347 0.395 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000736935740 598357875 /nfs/dbraw/zinc/35/78/75/598357875.db2.gz LFJVDRRWLFLBKS-LBPRGKRZSA-N -1 3 389.420 0.204 20 0 GCADHM COC(=O)N1CCC[C@H](NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000736935740 598357878 /nfs/dbraw/zinc/35/78/78/598357878.db2.gz LFJVDRRWLFLBKS-LBPRGKRZSA-N -1 3 389.420 0.204 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000737615263 598361905 /nfs/dbraw/zinc/36/19/05/598361905.db2.gz FVGCHDRFHWPOQR-VOTSOKGWSA-N -1 3 378.440 0.958 20 0 GCADHM Cn1ccnc1CN1CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000737615263 598361907 /nfs/dbraw/zinc/36/19/07/598361907.db2.gz FVGCHDRFHWPOQR-VOTSOKGWSA-N -1 3 378.440 0.958 20 0 GCADHM O=C(CN1CCCN(c2cccnn2)CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737872373 598364943 /nfs/dbraw/zinc/36/49/43/598364943.db2.gz GHPMHWPYXZKJIB-UHFFFAOYSA-N -1 3 393.455 0.485 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CCO2)n1 ZINC000737473208 598368064 /nfs/dbraw/zinc/36/80/64/598368064.db2.gz AJNMCSDVLUZUQK-INIZCTEOSA-N -1 3 397.443 0.415 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CCO2)n1 ZINC000737473208 598368066 /nfs/dbraw/zinc/36/80/66/598368066.db2.gz AJNMCSDVLUZUQK-INIZCTEOSA-N -1 3 397.443 0.415 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C[C@@H](O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737441701 598368255 /nfs/dbraw/zinc/36/82/55/598368255.db2.gz AGCJMLCVHHPELA-AEFFLSMTSA-N -1 3 399.455 0.512 20 0 GCADHM Cc1cnn(C[C@@H]2CN(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000737444120 598368349 /nfs/dbraw/zinc/36/83/49/598368349.db2.gz MHELCUJQBWSYRR-KRWDZBQOSA-N -1 3 396.455 0.389 20 0 GCADHM Cc1cnn(C[C@@H]2CN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737444120 598368351 /nfs/dbraw/zinc/36/83/51/598368351.db2.gz MHELCUJQBWSYRR-KRWDZBQOSA-N -1 3 396.455 0.389 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736094863 598372226 /nfs/dbraw/zinc/37/22/26/598372226.db2.gz ABEUMUVGFPPJOS-SECBINFHSA-N -1 3 397.370 0.921 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736094863 598372229 /nfs/dbraw/zinc/37/22/29/598372229.db2.gz ABEUMUVGFPPJOS-SECBINFHSA-N -1 3 397.370 0.921 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000736814192 598372628 /nfs/dbraw/zinc/37/26/28/598372628.db2.gz OWVRUNZMXIHRDR-UHFFFAOYSA-N -1 3 397.370 0.702 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000736814192 598372630 /nfs/dbraw/zinc/37/26/30/598372630.db2.gz OWVRUNZMXIHRDR-UHFFFAOYSA-N -1 3 397.370 0.702 20 0 GCADHM Cn1cc(CN2CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000737601504 598372916 /nfs/dbraw/zinc/37/29/16/598372916.db2.gz KJSORWBBBCQGPF-UHFFFAOYSA-N -1 3 381.444 0.628 20 0 GCADHM Cn1cc(CN2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737601504 598372917 /nfs/dbraw/zinc/37/29/17/598372917.db2.gz KJSORWBBBCQGPF-UHFFFAOYSA-N -1 3 381.444 0.628 20 0 GCADHM Cn1cc(CN2CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)cn1 ZINC000737601989 598372960 /nfs/dbraw/zinc/37/29/60/598372960.db2.gz MGURDYCSLFYAMY-UHFFFAOYSA-N -1 3 381.444 0.628 20 0 GCADHM Cn1cc(CN2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000737601989 598372962 /nfs/dbraw/zinc/37/29/62/598372962.db2.gz MGURDYCSLFYAMY-UHFFFAOYSA-N -1 3 381.444 0.628 20 0 GCADHM O=C(CN1CCn2c(nnc2C2CC2)C1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737885155 598375811 /nfs/dbraw/zinc/37/58/11/598375811.db2.gz ULNFLPUSAYCVME-UHFFFAOYSA-N -1 3 379.428 0.468 20 0 GCADHM O=C(CN1CCn2c(nnc2C2CC2)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737885155 598375813 /nfs/dbraw/zinc/37/58/13/598375813.db2.gz ULNFLPUSAYCVME-UHFFFAOYSA-N -1 3 379.428 0.468 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000736813294 598375963 /nfs/dbraw/zinc/37/59/63/598375963.db2.gz IUMYXCNFXVFTQB-UHFFFAOYSA-N -1 3 380.408 0.890 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CNC(=O)Cc1ccc(O)cc1 ZINC000736813294 598375965 /nfs/dbraw/zinc/37/59/65/598375965.db2.gz IUMYXCNFXVFTQB-UHFFFAOYSA-N -1 3 380.408 0.890 20 0 GCADHM C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccncc2-c2nnn[n-]2)C1=O ZINC000736300319 598379077 /nfs/dbraw/zinc/37/90/77/598379077.db2.gz AOJJIRFMTVGKRL-LLVKDONJSA-N -1 3 379.380 0.826 20 0 GCADHM C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccncc2-c2nn[n-]n2)C1=O ZINC000736300319 598379078 /nfs/dbraw/zinc/37/90/78/598379078.db2.gz AOJJIRFMTVGKRL-LLVKDONJSA-N -1 3 379.380 0.826 20 0 GCADHM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000736940452 598380325 /nfs/dbraw/zinc/38/03/25/598380325.db2.gz LJONMSKSMPFTLG-UHFFFAOYSA-N -1 3 383.368 0.491 20 0 GCADHM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000736940452 598380327 /nfs/dbraw/zinc/38/03/27/598380327.db2.gz LJONMSKSMPFTLG-UHFFFAOYSA-N -1 3 383.368 0.491 20 0 GCADHM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccncc1-c1nnn[n-]1)C2=O ZINC000736262947 598381178 /nfs/dbraw/zinc/38/11/78/598381178.db2.gz OHDZUTLVMQGYJP-BMLIUANNSA-N -1 3 384.400 0.123 20 0 GCADHM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccncc1-c1nn[n-]n1)C2=O ZINC000736262947 598381179 /nfs/dbraw/zinc/38/11/79/598381179.db2.gz OHDZUTLVMQGYJP-BMLIUANNSA-N -1 3 384.400 0.123 20 0 GCADHM CNS(=O)(=O)c1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736888153 598381316 /nfs/dbraw/zinc/38/13/16/598381316.db2.gz UHDXTQXLYZDHNG-UHFFFAOYSA-N -1 3 387.425 0.825 20 0 GCADHM CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccncc3-c3nnn[n-]3)ccc21 ZINC000737165077 598381306 /nfs/dbraw/zinc/38/13/06/598381306.db2.gz FEASMZCXLXREEW-UHFFFAOYSA-N -1 3 385.409 0.258 20 0 GCADHM CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccncc3-c3nn[n-]n3)ccc21 ZINC000737165077 598381309 /nfs/dbraw/zinc/38/13/09/598381309.db2.gz FEASMZCXLXREEW-UHFFFAOYSA-N -1 3 385.409 0.258 20 0 GCADHM Cc1ccn(-c2ccc(N3CCN(c4ncccc4-c4nnn[n-]4)CC3)nn2)n1 ZINC000737435403 598385392 /nfs/dbraw/zinc/38/53/92/598385392.db2.gz FJYDZPMHXIWYFT-UHFFFAOYSA-N -1 3 389.427 0.872 20 0 GCADHM Cc1ccn(-c2ccc(N3CCN(c4ncccc4-c4nn[n-]n4)CC3)nn2)n1 ZINC000737435403 598385394 /nfs/dbraw/zinc/38/53/94/598385394.db2.gz FJYDZPMHXIWYFT-UHFFFAOYSA-N -1 3 389.427 0.872 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCc1cn2c(n1)CCCC2 ZINC000738083855 598397704 /nfs/dbraw/zinc/39/77/04/598397704.db2.gz WEORHWKBIOCVNT-UHFFFAOYSA-N -1 3 382.432 0.706 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCc1cn2c(n1)CCCC2 ZINC000738083855 598397705 /nfs/dbraw/zinc/39/77/05/598397705.db2.gz WEORHWKBIOCVNT-UHFFFAOYSA-N -1 3 382.432 0.706 20 0 GCADHM CN(C)C(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736753734 598399842 /nfs/dbraw/zinc/39/98/42/598399842.db2.gz OQPWFQCNNNCOQV-UHFFFAOYSA-N -1 3 393.407 0.937 20 0 GCADHM CN(C)C(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736753734 598399843 /nfs/dbraw/zinc/39/98/43/598399843.db2.gz OQPWFQCNNNCOQV-UHFFFAOYSA-N -1 3 393.407 0.937 20 0 GCADHM CCCC(=O)N1CCCC[C@H]1C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736410916 598400169 /nfs/dbraw/zinc/40/01/69/598400169.db2.gz IHTDYCPJRCKPPX-AWEZNQCLSA-N -1 3 386.460 0.971 20 0 GCADHM CCCC(=O)N1CCCC[C@H]1C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736410916 598400170 /nfs/dbraw/zinc/40/01/70/598400170.db2.gz IHTDYCPJRCKPPX-AWEZNQCLSA-N -1 3 386.460 0.971 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-n2cncn2)nc1 ZINC000737890128 598400323 /nfs/dbraw/zinc/40/03/23/598400323.db2.gz TVQNRVBPAPBUDU-UHFFFAOYSA-N -1 3 390.367 0.211 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-n2cncn2)nc1 ZINC000737890128 598400325 /nfs/dbraw/zinc/40/03/25/598400325.db2.gz TVQNRVBPAPBUDU-UHFFFAOYSA-N -1 3 390.367 0.211 20 0 GCADHM CC(C)(C)C(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735585793 598401113 /nfs/dbraw/zinc/40/11/13/598401113.db2.gz FNGLLZBTHYVMCP-UHFFFAOYSA-N -1 3 399.455 0.313 20 0 GCADHM CC(C)(C)C(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735585793 598401115 /nfs/dbraw/zinc/40/11/15/598401115.db2.gz FNGLLZBTHYVMCP-UHFFFAOYSA-N -1 3 399.455 0.313 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCn2c3ccccc3nc21 ZINC000738040913 598401202 /nfs/dbraw/zinc/40/12/02/598401202.db2.gz XHOMNYIMEHBEHE-UHFFFAOYSA-N -1 3 388.391 0.993 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCn2c3ccccc3nc21 ZINC000738040913 598401204 /nfs/dbraw/zinc/40/12/04/598401204.db2.gz XHOMNYIMEHBEHE-UHFFFAOYSA-N -1 3 388.391 0.993 20 0 GCADHM COc1ccc([C@H](O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737076876 598401449 /nfs/dbraw/zinc/40/14/49/598401449.db2.gz SLAQPYAXDJNVNL-MRXNPFEDSA-N -1 3 396.407 0.455 20 0 GCADHM COc1ccc([C@H](O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737076876 598401452 /nfs/dbraw/zinc/40/14/52/598401452.db2.gz SLAQPYAXDJNVNL-MRXNPFEDSA-N -1 3 396.407 0.455 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H](O)COc1ccccc1 ZINC000737888809 598402128 /nfs/dbraw/zinc/40/21/28/598402128.db2.gz GAJHVDSZVLSUMG-OAHLLOKOSA-N -1 3 396.407 0.153 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)COc1ccccc1 ZINC000737888809 598402129 /nfs/dbraw/zinc/40/21/29/598402129.db2.gz GAJHVDSZVLSUMG-OAHLLOKOSA-N -1 3 396.407 0.153 20 0 GCADHM Cn1cnnc1C1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737617869 598402188 /nfs/dbraw/zinc/40/21/88/598402188.db2.gz DQPIGPSXZBFBJW-UHFFFAOYSA-N -1 3 395.427 0.131 20 0 GCADHM Cn1cnnc1C1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737617869 598402189 /nfs/dbraw/zinc/40/21/89/598402189.db2.gz DQPIGPSXZBFBJW-UHFFFAOYSA-N -1 3 395.427 0.131 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](O)c1ccc(F)cc1 ZINC000737888352 598402209 /nfs/dbraw/zinc/40/22/09/598402209.db2.gz BBJUQGSJWKXMFS-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)c1ccc(F)cc1 ZINC000737888352 598402210 /nfs/dbraw/zinc/40/22/10/598402210.db2.gz BBJUQGSJWKXMFS-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM CCCOC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736487453 598403172 /nfs/dbraw/zinc/40/31/72/598403172.db2.gz FNKMLSRUQXDIEI-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM CCCOC(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736487453 598403173 /nfs/dbraw/zinc/40/31/73/598403173.db2.gz FNKMLSRUQXDIEI-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM COc1cccc(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737130076 598403225 /nfs/dbraw/zinc/40/32/25/598403225.db2.gz AWQPWEROGWVRAX-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM COc1cccc(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737130076 598403226 /nfs/dbraw/zinc/40/32/26/598403226.db2.gz AWQPWEROGWVRAX-UHFFFAOYSA-N -1 3 380.408 0.964 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000738038652 598405243 /nfs/dbraw/zinc/40/52/43/598405243.db2.gz LTBXNBAAGJZOLK-CQSZACIVSA-N -1 3 380.412 0.726 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000738038652 598405245 /nfs/dbraw/zinc/40/52/45/598405245.db2.gz LTBXNBAAGJZOLK-CQSZACIVSA-N -1 3 380.412 0.726 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H](O)c1cccc(F)c1 ZINC000737889134 598405380 /nfs/dbraw/zinc/40/53/80/598405380.db2.gz KFMVZZABERINRS-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)c1cccc(F)c1 ZINC000737889134 598405382 /nfs/dbraw/zinc/40/53/82/598405382.db2.gz KFMVZZABERINRS-OAHLLOKOSA-N -1 3 384.371 0.585 20 0 GCADHM C[C@@H](COCC(F)(F)F)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736036475 598405904 /nfs/dbraw/zinc/40/59/04/598405904.db2.gz BBIOOJJNEDPFEB-VIFPVBQESA-N -1 3 386.334 0.680 20 0 GCADHM C[C@@H](COCC(F)(F)F)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736036475 598405905 /nfs/dbraw/zinc/40/59/05/598405905.db2.gz BBIOOJJNEDPFEB-VIFPVBQESA-N -1 3 386.334 0.680 20 0 GCADHM O=C1CCCCN1CCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738301570 598407394 /nfs/dbraw/zinc/40/73/94/598407394.db2.gz DHELCWJALVUXHW-UHFFFAOYSA-N -1 3 382.421 0.687 20 0 GCADHM O=C1CCCCN1CCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738301570 598407395 /nfs/dbraw/zinc/40/73/95/598407395.db2.gz DHELCWJALVUXHW-UHFFFAOYSA-N -1 3 382.421 0.687 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCN1CCCCC1=O ZINC000737888344 598409201 /nfs/dbraw/zinc/40/92/01/598409201.db2.gz BACFBEYAROKCSD-UHFFFAOYSA-N -1 3 385.428 0.115 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCN1CCCCC1=O ZINC000737888344 598409203 /nfs/dbraw/zinc/40/92/03/598409203.db2.gz BACFBEYAROKCSD-UHFFFAOYSA-N -1 3 385.428 0.115 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000735466870 598409546 /nfs/dbraw/zinc/40/95/46/598409546.db2.gz JGPWGHDPJONIGP-VIFPVBQESA-N -1 3 382.427 0.331 20 0 GCADHM CC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000735466870 598409548 /nfs/dbraw/zinc/40/95/48/598409548.db2.gz JGPWGHDPJONIGP-VIFPVBQESA-N -1 3 382.427 0.331 20 0 GCADHM CCC(CC)NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736346402 598409971 /nfs/dbraw/zinc/40/99/71/598409971.db2.gz ZYSDHJVXKICYMH-NSHDSACASA-N -1 3 388.428 0.833 20 0 GCADHM CCC(CC)NC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736346402 598409973 /nfs/dbraw/zinc/40/99/73/598409973.db2.gz ZYSDHJVXKICYMH-NSHDSACASA-N -1 3 388.428 0.833 20 0 GCADHM CCCN(CCC)C(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736473424 598410077 /nfs/dbraw/zinc/41/00/77/598410077.db2.gz OIZWNMODMGXPBO-UHFFFAOYSA-N -1 3 388.428 0.788 20 0 GCADHM CCCN(CCC)C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736473424 598410079 /nfs/dbraw/zinc/41/00/79/598410079.db2.gz OIZWNMODMGXPBO-UHFFFAOYSA-N -1 3 388.428 0.788 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737736933 598411764 /nfs/dbraw/zinc/41/17/64/598411764.db2.gz NGCGGVSNYUVGOF-OAHLLOKOSA-N -1 3 380.364 0.366 20 0 GCADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737736933 598411766 /nfs/dbraw/zinc/41/17/66/598411766.db2.gz NGCGGVSNYUVGOF-OAHLLOKOSA-N -1 3 380.364 0.366 20 0 GCADHM CN(C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@@H]1CCOC1 ZINC000736733786 598413004 /nfs/dbraw/zinc/41/30/04/598413004.db2.gz YTIMFODUWQTDTG-SECBINFHSA-N -1 3 382.327 0.654 20 0 GCADHM CN(C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@@H]1CCOC1 ZINC000736733786 598413005 /nfs/dbraw/zinc/41/30/05/598413005.db2.gz YTIMFODUWQTDTG-SECBINFHSA-N -1 3 382.327 0.654 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(CCO)CC(C)(C)C ZINC000737055998 598413768 /nfs/dbraw/zinc/41/37/68/598413768.db2.gz JRKJFNQPNYTENW-UHFFFAOYSA-N -1 3 376.417 0.681 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(CCO)CC(C)(C)C ZINC000737055998 598413769 /nfs/dbraw/zinc/41/37/69/598413769.db2.gz JRKJFNQPNYTENW-UHFFFAOYSA-N -1 3 376.417 0.681 20 0 GCADHM Cc1nc(SCC(=O)N[C@H](C(N)=O)C(C)C)c(-c2nnn[n-]2)c(C)c1C ZINC000737482640 598425141 /nfs/dbraw/zinc/42/51/41/598425141.db2.gz KDOZHOMPQQDFJK-ZDUSSCGKSA-N -1 3 377.474 0.905 20 0 GCADHM Cc1nc(SCC(=O)N[C@H](C(N)=O)C(C)C)c(-c2nn[n-]n2)c(C)c1C ZINC000737482640 598425143 /nfs/dbraw/zinc/42/51/43/598425143.db2.gz KDOZHOMPQQDFJK-ZDUSSCGKSA-N -1 3 377.474 0.905 20 0 GCADHM NC(=O)CC[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737745893 598425625 /nfs/dbraw/zinc/42/56/25/598425625.db2.gz GPYHIXRYCMFQOO-LBPRGKRZSA-N -1 3 385.428 0.101 20 0 GCADHM NC(=O)CC[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737745893 598425627 /nfs/dbraw/zinc/42/56/27/598425627.db2.gz GPYHIXRYCMFQOO-LBPRGKRZSA-N -1 3 385.428 0.101 20 0 GCADHM O=C(NC1CCC1)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738021497 598426137 /nfs/dbraw/zinc/42/61/37/598426137.db2.gz CORKLHUSNRSWML-UHFFFAOYSA-N -1 3 390.469 0.936 20 0 GCADHM O=C(NC1CCC1)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738021497 598426139 /nfs/dbraw/zinc/42/61/39/598426139.db2.gz CORKLHUSNRSWML-UHFFFAOYSA-N -1 3 390.469 0.936 20 0 GCADHM CCS(=O)(=O)NCCNC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736665905 598428488 /nfs/dbraw/zinc/42/84/88/598428488.db2.gz WBNNFAXQSMWLKI-UHFFFAOYSA-N -1 3 395.489 0.726 20 0 GCADHM CCS(=O)(=O)NCCNC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736665905 598428489 /nfs/dbraw/zinc/42/84/89/598428489.db2.gz WBNNFAXQSMWLKI-UHFFFAOYSA-N -1 3 395.489 0.726 20 0 GCADHM C[C@@H](CN1CCOCC1)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736010929 598433986 /nfs/dbraw/zinc/43/39/86/598433986.db2.gz XHQHGYSYWNFCDL-LBPRGKRZSA-N -1 3 397.443 0.085 20 0 GCADHM C[C@@H](CN1CCOCC1)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736010929 598433988 /nfs/dbraw/zinc/43/39/88/598433988.db2.gz XHQHGYSYWNFCDL-LBPRGKRZSA-N -1 3 397.443 0.085 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736237033 598434342 /nfs/dbraw/zinc/43/43/42/598434342.db2.gz NWFDKRWNVSGZAL-PWSUYJOCSA-N -1 3 395.427 0.361 20 0 GCADHM C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736237033 598434343 /nfs/dbraw/zinc/43/43/43/598434343.db2.gz NWFDKRWNVSGZAL-PWSUYJOCSA-N -1 3 395.427 0.361 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000737776671 598435366 /nfs/dbraw/zinc/43/53/66/598435366.db2.gz OSPZKIQYNUBJAL-ZDUSSCGKSA-N -1 3 381.400 0.033 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000737776671 598435367 /nfs/dbraw/zinc/43/53/67/598435367.db2.gz OSPZKIQYNUBJAL-ZDUSSCGKSA-N -1 3 381.400 0.033 20 0 GCADHM C[C@H](CN1CCCC1=O)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736000941 598435574 /nfs/dbraw/zinc/43/55/74/598435574.db2.gz KRTRVIIXLLTHJT-LLVKDONJSA-N -1 3 395.427 0.375 20 0 GCADHM C[C@H](CN1CCCC1=O)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736000941 598435576 /nfs/dbraw/zinc/43/55/76/598435576.db2.gz KRTRVIIXLLTHJT-LLVKDONJSA-N -1 3 395.427 0.375 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736913157 598436200 /nfs/dbraw/zinc/43/62/00/598436200.db2.gz VERWDTUMKIPZJI-LLVKDONJSA-N -1 3 382.384 0.270 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736913157 598436202 /nfs/dbraw/zinc/43/62/02/598436202.db2.gz VERWDTUMKIPZJI-LLVKDONJSA-N -1 3 382.384 0.270 20 0 GCADHM Cc1noc([C@@H](C)NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000737534907 598436812 /nfs/dbraw/zinc/43/68/12/598436812.db2.gz SEZNWHVDWKGSTH-MRVPVSSYSA-N -1 3 380.372 0.817 20 0 GCADHM Cc1noc([C@@H](C)NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000737534907 598436814 /nfs/dbraw/zinc/43/68/14/598436814.db2.gz SEZNWHVDWKGSTH-MRVPVSSYSA-N -1 3 380.372 0.817 20 0 GCADHM Cc1nccc(CNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000737501828 598436918 /nfs/dbraw/zinc/43/69/18/598436918.db2.gz UVGBBSMDVFUGSS-UHFFFAOYSA-N -1 3 376.384 0.663 20 0 GCADHM Cc1nccc(CNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000737501828 598436920 /nfs/dbraw/zinc/43/69/20/598436920.db2.gz UVGBBSMDVFUGSS-UHFFFAOYSA-N -1 3 376.384 0.663 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCc2nc(C3CC3)no2)cc1 ZINC000737777437 598436960 /nfs/dbraw/zinc/43/69/60/598436960.db2.gz UYNMBISKIJLXKO-UHFFFAOYSA-N -1 3 392.383 0.825 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCc2nc(C3CC3)no2)cc1 ZINC000737777437 598436962 /nfs/dbraw/zinc/43/69/62/598436962.db2.gz UYNMBISKIJLXKO-UHFFFAOYSA-N -1 3 392.383 0.825 20 0 GCADHM COCCn1ccc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000737017576 598438258 /nfs/dbraw/zinc/43/82/58/598438258.db2.gz WTSDBWRBIOCFIX-UHFFFAOYSA-N -1 3 394.399 0.730 20 0 GCADHM COCCn1ccc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000737017576 598438260 /nfs/dbraw/zinc/43/82/60/598438260.db2.gz WTSDBWRBIOCFIX-UHFFFAOYSA-N -1 3 394.399 0.730 20 0 GCADHM CCCS(=O)(=O)CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736493061 598446856 /nfs/dbraw/zinc/44/68/56/598446856.db2.gz QOUXNCYSSLLSCZ-UHFFFAOYSA-N -1 3 393.473 0.172 20 0 GCADHM NC(=O)c1ccn(-c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)n1 ZINC000737763412 598451850 /nfs/dbraw/zinc/45/18/50/598451850.db2.gz CVVJHOOXQXJXIM-UHFFFAOYSA-N -1 3 375.352 0.799 20 0 GCADHM NC(=O)c1ccn(-c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)n1 ZINC000737763412 598451852 /nfs/dbraw/zinc/45/18/52/598451852.db2.gz CVVJHOOXQXJXIM-UHFFFAOYSA-N -1 3 375.352 0.799 20 0 GCADHM O=Cc1ccc(OCC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000738314702 598452527 /nfs/dbraw/zinc/45/25/27/598452527.db2.gz XJTGDECJAIQOCK-UHFFFAOYSA-N -1 3 393.407 0.802 20 0 GCADHM O=Cc1ccc(OCC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000738314702 598452529 /nfs/dbraw/zinc/45/25/29/598452529.db2.gz XJTGDECJAIQOCK-UHFFFAOYSA-N -1 3 393.407 0.802 20 0 GCADHM O=C(Cn1cc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cn1)NC1CCCC1 ZINC000737986573 598453357 /nfs/dbraw/zinc/45/33/57/598453357.db2.gz LJSODKVBECXKND-UHFFFAOYSA-N -1 3 381.400 0.769 20 0 GCADHM O=C(Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cn1)NC1CCCC1 ZINC000737986573 598453358 /nfs/dbraw/zinc/45/33/58/598453358.db2.gz LJSODKVBECXKND-UHFFFAOYSA-N -1 3 381.400 0.769 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736198746 598456719 /nfs/dbraw/zinc/45/67/19/598456719.db2.gz KLVPERGJHQCNRF-SNVBAGLBSA-N -1 3 387.425 0.742 20 0 GCADHM C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736198746 598456720 /nfs/dbraw/zinc/45/67/20/598456720.db2.gz KLVPERGJHQCNRF-SNVBAGLBSA-N -1 3 387.425 0.742 20 0 GCADHM COC(=O)NCCCC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736939292 598456783 /nfs/dbraw/zinc/45/67/83/598456783.db2.gz XGJAJPIWCOTBFV-UHFFFAOYSA-N -1 3 387.444 0.647 20 0 GCADHM C[C@@]1(c2ccc(NC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)NC(=O)NC1=O ZINC000736223098 598459128 /nfs/dbraw/zinc/45/91/28/598459128.db2.gz MQRBGLKTDHHNCY-KRWDZBQOSA-N -1 3 378.352 0.569 20 0 GCADHM C[C@@]1(c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)NC(=O)NC1=O ZINC000736223098 598459129 /nfs/dbraw/zinc/45/91/29/598459129.db2.gz MQRBGLKTDHHNCY-KRWDZBQOSA-N -1 3 378.352 0.569 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736888161 598462277 /nfs/dbraw/zinc/46/22/77/598462277.db2.gz URSZWRPATRDJIG-UHFFFAOYSA-N -1 3 385.409 0.373 20 0 GCADHM CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736888161 598462279 /nfs/dbraw/zinc/46/22/79/598462279.db2.gz URSZWRPATRDJIG-UHFFFAOYSA-N -1 3 385.409 0.373 20 0 GCADHM COCc1cccc(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000737021975 598464505 /nfs/dbraw/zinc/46/45/05/598464505.db2.gz GIUJCFMUJJFTCE-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM COCc1cccc(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000737021975 598464507 /nfs/dbraw/zinc/46/45/07/598464507.db2.gz GIUJCFMUJJFTCE-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737742866 598467892 /nfs/dbraw/zinc/46/78/92/598467892.db2.gz HQJGAXDZTDXBRY-KRWDZBQOSA-N -1 3 378.392 0.857 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737742866 598467893 /nfs/dbraw/zinc/46/78/93/598467893.db2.gz HQJGAXDZTDXBRY-KRWDZBQOSA-N -1 3 378.392 0.857 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737742797 598472466 /nfs/dbraw/zinc/47/24/66/598472466.db2.gz HCIGZJCOMIFFDM-HNNXBMFYSA-N -1 3 384.421 0.640 20 0 GCADHM NC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737742797 598472467 /nfs/dbraw/zinc/47/24/67/598472467.db2.gz HCIGZJCOMIFFDM-HNNXBMFYSA-N -1 3 384.421 0.640 20 0 GCADHM O=C(COC(=O)c1cccc(-c2nnn[n-]2)c1)Nc1nnc([C@H]2CCCO2)o1 ZINC000737910335 598473744 /nfs/dbraw/zinc/47/37/44/598473744.db2.gz BGZPKKQQZNMEQB-LLVKDONJSA-N -1 3 385.340 0.897 20 0 GCADHM O=C(COC(=O)c1cccc(-c2nn[n-]n2)c1)Nc1nnc([C@H]2CCCO2)o1 ZINC000737910335 598473746 /nfs/dbraw/zinc/47/37/46/598473746.db2.gz BGZPKKQQZNMEQB-LLVKDONJSA-N -1 3 385.340 0.897 20 0 GCADHM Cc1cccc(N2C(=O)N[C@@H](CCC(=O)n3ncc(-c4nnn[n-]4)c3N)C2=O)c1 ZINC000737396787 598474198 /nfs/dbraw/zinc/47/41/98/598474198.db2.gz RASKIAXQLMNHCC-LBPRGKRZSA-N -1 3 395.383 0.499 20 0 GCADHM Cc1cccc(N2C(=O)N[C@H](CCC(=O)n3ncc(-c4nnn[n-]4)c3N)C2=O)c1 ZINC000737396786 598474405 /nfs/dbraw/zinc/47/44/05/598474405.db2.gz RASKIAXQLMNHCC-GFCCVEGCSA-N -1 3 395.383 0.499 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000736157451 598476525 /nfs/dbraw/zinc/47/65/25/598476525.db2.gz CPKDNDPIEPSRDZ-SECBINFHSA-N -1 3 381.352 0.545 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000736157451 598476528 /nfs/dbraw/zinc/47/65/28/598476528.db2.gz CPKDNDPIEPSRDZ-SECBINFHSA-N -1 3 381.352 0.545 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3nnn[n-]3)cn2)o1 ZINC000736771156 598476936 /nfs/dbraw/zinc/47/69/36/598476936.db2.gz ZGRRVXONPOGMCE-UHFFFAOYSA-N -1 3 378.370 0.462 20 0 GCADHM CN(C)S(=O)(=O)c1ccc(COC(=O)c2ccc(-c3nn[n-]n3)cn2)o1 ZINC000736771156 598476938 /nfs/dbraw/zinc/47/69/38/598476938.db2.gz ZGRRVXONPOGMCE-UHFFFAOYSA-N -1 3 378.370 0.462 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)N1CCN(Cc2ccco2)CC1 ZINC000738218481 598477342 /nfs/dbraw/zinc/47/73/42/598477342.db2.gz GOIDQIVVWCULNR-UHFFFAOYSA-N -1 3 397.395 0.356 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)N1CCN(Cc2ccco2)CC1 ZINC000738218481 598477343 /nfs/dbraw/zinc/47/73/43/598477343.db2.gz GOIDQIVVWCULNR-UHFFFAOYSA-N -1 3 397.395 0.356 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736271941 598479739 /nfs/dbraw/zinc/47/97/39/598479739.db2.gz PJFXSVBSHADCBR-PWSUYJOCSA-N -1 3 387.400 0.823 20 0 GCADHM C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736271941 598479740 /nfs/dbraw/zinc/47/97/40/598479740.db2.gz PJFXSVBSHADCBR-PWSUYJOCSA-N -1 3 387.400 0.823 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000736159414 598481937 /nfs/dbraw/zinc/48/19/37/598481937.db2.gz MXLBPMWEBQDTBK-ZETCQYMHSA-N -1 3 380.328 0.112 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000736159414 598481939 /nfs/dbraw/zinc/48/19/39/598481939.db2.gz MXLBPMWEBQDTBK-ZETCQYMHSA-N -1 3 380.328 0.112 20 0 GCADHM C[C@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1nnc2n1CCC2 ZINC000736119908 598486568 /nfs/dbraw/zinc/48/65/68/598486568.db2.gz WQKVJSSWQYGEPL-JTQLQIEISA-N -1 3 383.420 0.272 20 0 GCADHM C[C@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1nnc2n1CCC2 ZINC000736119908 598486569 /nfs/dbraw/zinc/48/65/69/598486569.db2.gz WQKVJSSWQYGEPL-JTQLQIEISA-N -1 3 383.420 0.272 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1nnc2n1CCC2 ZINC000736131856 598486630 /nfs/dbraw/zinc/48/66/30/598486630.db2.gz SVLNOEMFVBIOLA-QMMMGPOBSA-N -1 3 378.393 0.583 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1nnc2n1CCC2 ZINC000736131856 598486633 /nfs/dbraw/zinc/48/66/33/598486633.db2.gz SVLNOEMFVBIOLA-QMMMGPOBSA-N -1 3 378.393 0.583 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)Nc1cc(-c3nnn[n-]3)cn1C(C)(C)C)c2=O ZINC000737628793 598488815 /nfs/dbraw/zinc/48/88/15/598488815.db2.gz QWEBTFKEFWOXKD-UHFFFAOYSA-N -1 3 396.415 0.505 20 0 GCADHM Cn1ncc2c1ncn(CC(=O)Nc1cc(-c3nn[n-]n3)cn1C(C)(C)C)c2=O ZINC000737628793 598488817 /nfs/dbraw/zinc/48/88/17/598488817.db2.gz QWEBTFKEFWOXKD-UHFFFAOYSA-N -1 3 396.415 0.505 20 0 GCADHM C[C@@H](OC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736149545 598490315 /nfs/dbraw/zinc/49/03/15/598490315.db2.gz HDJUPMUULUAQHA-WSKFYRRCSA-N -1 3 382.380 0.582 20 0 GCADHM C[C@@H](OC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736149545 598490316 /nfs/dbraw/zinc/49/03/16/598490316.db2.gz HDJUPMUULUAQHA-WSKFYRRCSA-N -1 3 382.380 0.582 20 0 GCADHM C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736222681 598494809 /nfs/dbraw/zinc/49/48/09/598494809.db2.gz JICNXRBQMIFZIJ-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736222681 598494810 /nfs/dbraw/zinc/49/48/10/598494810.db2.gz JICNXRBQMIFZIJ-LJQANCHMSA-N -1 3 391.391 0.933 20 0 GCADHM COC(=O)N[C@@H](C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)C(C)C ZINC000736934467 598494922 /nfs/dbraw/zinc/49/49/22/598494922.db2.gz CCUJFMMYIHEPAP-OAHLLOKOSA-N -1 3 387.444 0.896 20 0 GCADHM COC(=O)N[C@@H](C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)C(C)C ZINC000736934467 598494923 /nfs/dbraw/zinc/49/49/23/598494923.db2.gz CCUJFMMYIHEPAP-OAHLLOKOSA-N -1 3 387.444 0.896 20 0 GCADHM Cc1nc(SCC(=O)N2CCS(=O)CC2)c(-c2nnn[n-]2)c(C)c1C ZINC000737483174 598496645 /nfs/dbraw/zinc/49/66/45/598496645.db2.gz LZESIPVOFMJXKD-UHFFFAOYSA-N -1 3 380.499 0.870 20 0 GCADHM Cc1nc(SCC(=O)N2CCS(=O)CC2)c(-c2nn[n-]n2)c(C)c1C ZINC000737483174 598496646 /nfs/dbraw/zinc/49/66/46/598496646.db2.gz LZESIPVOFMJXKD-UHFFFAOYSA-N -1 3 380.499 0.870 20 0 GCADHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NCCCN1C(=O)CNC1=O ZINC000737930052 598496787 /nfs/dbraw/zinc/49/67/87/598496787.db2.gz AWXDLGBNPKBNEC-UHFFFAOYSA-N -1 3 389.441 0.158 20 0 GCADHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NCCCN1C(=O)CNC1=O ZINC000737930052 598496790 /nfs/dbraw/zinc/49/67/90/598496790.db2.gz AWXDLGBNPKBNEC-UHFFFAOYSA-N -1 3 389.441 0.158 20 0 GCADHM CCS(=O)(=O)CCNC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736659543 598499928 /nfs/dbraw/zinc/49/99/28/598499928.db2.gz TUKCSPJONPXQFW-AWEZNQCLSA-N -1 3 381.458 0.821 20 0 GCADHM CCS(=O)(=O)CCNC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736659543 598499931 /nfs/dbraw/zinc/49/99/31/598499931.db2.gz TUKCSPJONPXQFW-AWEZNQCLSA-N -1 3 381.458 0.821 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)C2=COCC2)nn1-c1ccccc1 ZINC000737769135 598507216 /nfs/dbraw/zinc/50/72/16/598507216.db2.gz FUOQVBQMNAZRFO-UHFFFAOYSA-N -1 3 380.412 0.988 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)C2=COCC2)nn1-c1ccccc1 ZINC000737769135 598507218 /nfs/dbraw/zinc/50/72/18/598507218.db2.gz FUOQVBQMNAZRFO-UHFFFAOYSA-N -1 3 380.412 0.988 20 0 GCADHM O=C1NCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H]1c1ccccc1 ZINC000738320007 598509073 /nfs/dbraw/zinc/50/90/73/598509073.db2.gz RDKKOGVHLKNOMG-INIZCTEOSA-N -1 3 398.448 0.870 20 0 GCADHM O=C1NCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H]1c1ccccc1 ZINC000738320007 598509075 /nfs/dbraw/zinc/50/90/75/598509075.db2.gz RDKKOGVHLKNOMG-INIZCTEOSA-N -1 3 398.448 0.870 20 0 GCADHM C[C@@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000736227329 598509245 /nfs/dbraw/zinc/50/92/45/598509245.db2.gz BYHVCZMFORMELH-SNVBAGLBSA-N -1 3 389.485 0.956 20 0 GCADHM C[C@@H]1C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000736227329 598509248 /nfs/dbraw/zinc/50/92/48/598509248.db2.gz BYHVCZMFORMELH-SNVBAGLBSA-N -1 3 389.485 0.956 20 0 GCADHM COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736940705 598512675 /nfs/dbraw/zinc/51/26/75/598512675.db2.gz VFPWNEZSEBGKJO-AWEZNQCLSA-N -1 3 387.421 0.929 20 0 GCADHM COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736940705 598512677 /nfs/dbraw/zinc/51/26/77/598512677.db2.gz VFPWNEZSEBGKJO-AWEZNQCLSA-N -1 3 387.421 0.929 20 0 GCADHM CCc1c(C)sc(NC(=O)c2cn(CC(=O)N(C)C)nn2)c1-c1nnn[n-]1 ZINC000736674253 598514049 /nfs/dbraw/zinc/51/40/49/598514049.db2.gz BGUMTFJBRBYADT-UHFFFAOYSA-N -1 3 389.445 0.731 20 0 GCADHM CCc1c(C)sc(NC(=O)c2cn(CC(=O)N(C)C)nn2)c1-c1nn[n-]n1 ZINC000736674253 598514051 /nfs/dbraw/zinc/51/40/51/598514051.db2.gz BGUMTFJBRBYADT-UHFFFAOYSA-N -1 3 389.445 0.731 20 0 GCADHM COCCCN1C(=O)N=NC1S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736987037 598516449 /nfs/dbraw/zinc/51/64/49/598516449.db2.gz AOHMQSRPFPUPQJ-UHFFFAOYSA-N -1 3 379.402 0.174 20 0 GCADHM COCCCN1C(=O)N=NC1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736988112 598516640 /nfs/dbraw/zinc/51/66/40/598516640.db2.gz OBAYFDCURJAMJN-UHFFFAOYSA-N -1 3 379.402 0.174 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)CC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737437746 598524683 /nfs/dbraw/zinc/52/46/83/598524683.db2.gz QCKFWPLIIYMCGA-UHFFFAOYSA-N -1 3 394.439 0.757 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737437746 598524684 /nfs/dbraw/zinc/52/46/84/598524684.db2.gz QCKFWPLIIYMCGA-UHFFFAOYSA-N -1 3 394.439 0.757 20 0 GCADHM O=C(CN1CCN(c2ncccc2-c2nnn[n-]2)CC1)NCc1ccccn1 ZINC000737883071 598524698 /nfs/dbraw/zinc/52/46/98/598524698.db2.gz OUJBXNXBVDLBHW-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM O=C(CN1CCN(c2ncccc2-c2nn[n-]n2)CC1)NCc1ccccn1 ZINC000737883071 598524699 /nfs/dbraw/zinc/52/46/99/598524699.db2.gz OUJBXNXBVDLBHW-UHFFFAOYSA-N -1 3 379.428 0.095 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737436681 598524941 /nfs/dbraw/zinc/52/49/41/598524941.db2.gz JZOTXSDYCRJCPR-UHFFFAOYSA-N -1 3 394.439 0.757 20 0 GCADHM Cc1ccnc(NC(=O)CN(C)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737436681 598524943 /nfs/dbraw/zinc/52/49/43/598524943.db2.gz JZOTXSDYCRJCPR-UHFFFAOYSA-N -1 3 394.439 0.757 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000737617825 598526205 /nfs/dbraw/zinc/52/62/05/598526205.db2.gz CJUNIERXHUZUGX-UHFFFAOYSA-N -1 3 388.457 0.501 20 0 GCADHM Cn1cnc(S(=O)(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000737617825 598526207 /nfs/dbraw/zinc/52/62/07/598526207.db2.gz CJUNIERXHUZUGX-UHFFFAOYSA-N -1 3 388.457 0.501 20 0 GCADHM Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737513461 598528893 /nfs/dbraw/zinc/52/88/93/598528893.db2.gz OKZZLNGXTCJDBC-GFCCVEGCSA-N -1 3 396.459 0.896 20 0 GCADHM Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737513461 598528894 /nfs/dbraw/zinc/52/88/94/598528894.db2.gz OKZZLNGXTCJDBC-GFCCVEGCSA-N -1 3 396.459 0.896 20 0 GCADHM COCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000737007419 598529559 /nfs/dbraw/zinc/52/95/59/598529559.db2.gz RWEMDVSERYGRLX-UHFFFAOYSA-N -1 3 394.457 0.030 20 0 GCADHM COCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000737007419 598529560 /nfs/dbraw/zinc/52/95/60/598529560.db2.gz RWEMDVSERYGRLX-UHFFFAOYSA-N -1 3 394.457 0.030 20 0 GCADHM c1nn(Cc2ccccn2)cc1NC[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000738432929 598530357 /nfs/dbraw/zinc/53/03/57/598530357.db2.gz NVVCIIOVIQRLPK-GFCCVEGCSA-N -1 3 377.416 0.857 20 0 GCADHM c1nn(Cc2ccccn2)cc1NC[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000738432929 598530359 /nfs/dbraw/zinc/53/03/59/598530359.db2.gz NVVCIIOVIQRLPK-GFCCVEGCSA-N -1 3 377.416 0.857 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1nc2c(s1)COCC2 ZINC000737888435 598530473 /nfs/dbraw/zinc/53/04/73/598530473.db2.gz CFSIJHKNDQZPOE-UHFFFAOYSA-N -1 3 385.409 0.764 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1nc2c(s1)COCC2 ZINC000737888435 598530475 /nfs/dbraw/zinc/53/04/75/598530475.db2.gz CFSIJHKNDQZPOE-UHFFFAOYSA-N -1 3 385.409 0.764 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000738039989 598530736 /nfs/dbraw/zinc/53/07/36/598530736.db2.gz QSAHLCCDDAYLLN-CQSZACIVSA-N -1 3 380.412 0.726 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000738039989 598530738 /nfs/dbraw/zinc/53/07/38/598530738.db2.gz QSAHLCCDDAYLLN-CQSZACIVSA-N -1 3 380.412 0.726 20 0 GCADHM CN(C)c1nnc(SCc2cc(=O)n3ncc(-c4nnn[n-]4)c3[nH]2)s1 ZINC000736779047 598533444 /nfs/dbraw/zinc/53/34/44/598533444.db2.gz KCNPSPCTPSKMBI-UHFFFAOYSA-N -1 3 376.431 0.825 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N1CCC2(C1)OCCO2 ZINC000738144413 598536734 /nfs/dbraw/zinc/53/67/34/598536734.db2.gz LYGUKCXTTPTQNI-UHFFFAOYSA-N -1 3 378.776 0.434 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N1CCC2(C1)OCCO2 ZINC000738144413 598536735 /nfs/dbraw/zinc/53/67/35/598536735.db2.gz LYGUKCXTTPTQNI-UHFFFAOYSA-N -1 3 378.776 0.434 20 0 GCADHM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000737746728 598536781 /nfs/dbraw/zinc/53/67/81/598536781.db2.gz LEVBUTVIZRDEDW-UHFFFAOYSA-N -1 3 385.409 0.786 20 0 GCADHM NC(=O)CCNC(=O)c1ccccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000737746728 598536783 /nfs/dbraw/zinc/53/67/83/598536783.db2.gz LEVBUTVIZRDEDW-UHFFFAOYSA-N -1 3 385.409 0.786 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737745941 598536804 /nfs/dbraw/zinc/53/68/04/598536804.db2.gz HLJCVYFRVRXTKN-UHFFFAOYSA-N -1 3 398.358 0.258 20 0 GCADHM NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737745941 598536805 /nfs/dbraw/zinc/53/68/05/598536805.db2.gz HLJCVYFRVRXTKN-UHFFFAOYSA-N -1 3 398.358 0.258 20 0 GCADHM COCCN(CCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000736995226 598537410 /nfs/dbraw/zinc/53/74/10/598537410.db2.gz PJUAXTRFYFFWLK-HNNXBMFYSA-N -1 3 395.485 0.771 20 0 GCADHM CC(=O)NC1(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000735476334 598541443 /nfs/dbraw/zinc/54/14/43/598541443.db2.gz XXSIMKQUXOLJIR-UHFFFAOYSA-N -1 3 386.412 0.475 20 0 GCADHM CC(=O)NC1(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000735476334 598541445 /nfs/dbraw/zinc/54/14/45/598541445.db2.gz XXSIMKQUXOLJIR-UHFFFAOYSA-N -1 3 386.412 0.475 20 0 GCADHM C[C@@H](OC(=O)CCCS(C)(=O)=O)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736149994 598543288 /nfs/dbraw/zinc/54/32/88/598543288.db2.gz MDOIZZVPPNJLNR-SNVBAGLBSA-N -1 3 381.414 0.562 20 0 GCADHM C[C@@H](OC(=O)CCCS(C)(=O)=O)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736149994 598543290 /nfs/dbraw/zinc/54/32/90/598543290.db2.gz MDOIZZVPPNJLNR-SNVBAGLBSA-N -1 3 381.414 0.562 20 0 GCADHM NC(=O)[C@@H]1CCN(C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1 ZINC000737746373 598549161 /nfs/dbraw/zinc/54/91/61/598549161.db2.gz SQSNFILSGZKQGC-GFCCVEGCSA-N -1 3 382.380 0.986 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCS(C)(=O)=O ZINC000735735299 598549259 /nfs/dbraw/zinc/54/92/59/598549259.db2.gz RAMJCAOIADTVAK-CQSZACIVSA-N -1 3 381.458 0.773 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCS(C)(=O)=O ZINC000735735299 598549260 /nfs/dbraw/zinc/54/92/60/598549260.db2.gz RAMJCAOIADTVAK-CQSZACIVSA-N -1 3 381.458 0.773 20 0 GCADHM CO[C@@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nnn[n-]3)C2=O)C1 ZINC000736962443 598551234 /nfs/dbraw/zinc/55/12/34/598551234.db2.gz PHPVPALYFOSWMN-CQSZACIVSA-N -1 3 385.428 0.699 20 0 GCADHM CO[C@@H]1CCCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)C1 ZINC000736962443 598551235 /nfs/dbraw/zinc/55/12/35/598551235.db2.gz PHPVPALYFOSWMN-CQSZACIVSA-N -1 3 385.428 0.699 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccn(CCN2CCOCC2)n1 ZINC000737955796 598555828 /nfs/dbraw/zinc/55/58/28/598555828.db2.gz MCHNSLHVZKYGPN-UHFFFAOYSA-N -1 3 382.428 0.577 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)Nc1ccn(CCN2CCOCC2)n1 ZINC000737930012 598556043 /nfs/dbraw/zinc/55/60/43/598556043.db2.gz MCJGQTYGHIXYHU-UHFFFAOYSA-N -1 3 398.427 0.413 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)Nc1ccn(CCN2CCOCC2)n1 ZINC000737930012 598556044 /nfs/dbraw/zinc/55/60/44/598556044.db2.gz MCJGQTYGHIXYHU-UHFFFAOYSA-N -1 3 398.427 0.413 20 0 GCADHM CN1CCN(C(=O)CC2CCN(C(=O)c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000736855423 598556652 /nfs/dbraw/zinc/55/66/52/598556652.db2.gz BUVKULRDZAANMG-UHFFFAOYSA-N -1 3 397.483 0.883 20 0 GCADHM Cn1cc(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)cn1 ZINC000737601993 598564280 /nfs/dbraw/zinc/56/42/80/598564280.db2.gz MIHPPKPGJHNJSL-UHFFFAOYSA-N -1 3 392.326 0.457 20 0 GCADHM Cn1cc(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)cn1 ZINC000737601993 598564281 /nfs/dbraw/zinc/56/42/81/598564281.db2.gz MIHPPKPGJHNJSL-UHFFFAOYSA-N -1 3 392.326 0.457 20 0 GCADHM CC[C@H](C)NC(=O)CN1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000736328121 598566119 /nfs/dbraw/zinc/56/61/19/598566119.db2.gz VKVREMQEXOKBNU-ZDUSSCGKSA-N -1 3 383.460 0.551 20 0 GCADHM CC[C@H](C)NC(=O)CN1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000736328121 598566120 /nfs/dbraw/zinc/56/61/20/598566120.db2.gz VKVREMQEXOKBNU-ZDUSSCGKSA-N -1 3 383.460 0.551 20 0 GCADHM CCN1C(=S)N=NC1CCNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736714600 598567114 /nfs/dbraw/zinc/56/71/14/598567114.db2.gz SRLADXPBGNXTRU-SNVBAGLBSA-N -1 3 388.457 0.893 20 0 GCADHM CCN1C(=S)N=NC1CCNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736714600 598567115 /nfs/dbraw/zinc/56/71/15/598567115.db2.gz SRLADXPBGNXTRU-SNVBAGLBSA-N -1 3 388.457 0.893 20 0 GCADHM Cn1c(SCC(=O)c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCOCC1 ZINC000737590695 598569601 /nfs/dbraw/zinc/56/96/01/598569601.db2.gz CEFDBLAIKMDHGU-UHFFFAOYSA-N -1 3 386.441 0.807 20 0 GCADHM Cn1c(SCC(=O)c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCOCC1 ZINC000737590695 598569603 /nfs/dbraw/zinc/56/96/03/598569603.db2.gz CEFDBLAIKMDHGU-UHFFFAOYSA-N -1 3 386.441 0.807 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C1CCC2(CC1)NC(=O)NC2=O ZINC000738315849 598570601 /nfs/dbraw/zinc/57/06/01/598570601.db2.gz MMJLOTVCEFMXPT-UHFFFAOYSA-N -1 3 387.375 0.390 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C1CCC2(CC1)NC(=O)NC2=O ZINC000738315849 598570602 /nfs/dbraw/zinc/57/06/02/598570602.db2.gz MMJLOTVCEFMXPT-UHFFFAOYSA-N -1 3 387.375 0.390 20 0 GCADHM O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738037454 598576373 /nfs/dbraw/zinc/57/63/73/598576373.db2.gz VQKWWRXEVUBVHT-OCCSQVGLSA-N -1 3 376.442 0.139 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735474410 598577907 /nfs/dbraw/zinc/57/79/07/598577907.db2.gz JAVRLQMJRDCIIJ-RDJZCZTQSA-N -1 3 383.456 0.963 20 0 GCADHM CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736658816 598579598 /nfs/dbraw/zinc/57/95/98/598579598.db2.gz JMELTPLXBSRNCE-CQSZACIVSA-N -1 3 378.458 0.386 20 0 GCADHM O=C(NCCCN1CCCC1=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738066555 598579905 /nfs/dbraw/zinc/57/99/05/598579905.db2.gz QHAFWCJWXWWBAH-INIZCTEOSA-N -1 3 383.456 0.964 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000736009004 598580348 /nfs/dbraw/zinc/58/03/48/598580348.db2.gz VOWIPTQXGBGVRH-PBHICJAKSA-N -1 3 385.472 0.672 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736752265 598580492 /nfs/dbraw/zinc/58/04/92/598580492.db2.gz UBSDRJZUKSMLLL-INIZCTEOSA-N -1 3 398.471 0.661 20 0 GCADHM CCOCCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736610648 598582026 /nfs/dbraw/zinc/58/20/26/598582026.db2.gz KCRJKGAGXNVRBV-UHFFFAOYSA-N -1 3 394.457 0.126 20 0 GCADHM CCOCCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736610648 598582028 /nfs/dbraw/zinc/58/20/28/598582028.db2.gz KCRJKGAGXNVRBV-UHFFFAOYSA-N -1 3 394.457 0.126 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826425523 607361895 /nfs/dbraw/zinc/36/18/95/607361895.db2.gz IBPKOAXLVSFJNO-UHFFFAOYSA-N -1 3 391.347 0.398 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826425523 607361897 /nfs/dbraw/zinc/36/18/97/607361897.db2.gz IBPKOAXLVSFJNO-UHFFFAOYSA-N -1 3 391.347 0.398 20 0 GCADHM O=C(CCn1ccnn1)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738151572 598586668 /nfs/dbraw/zinc/58/66/68/598586668.db2.gz JKZYOJJGFMWZSJ-ZDUSSCGKSA-N -1 3 399.440 0.389 20 0 GCADHM O=C(CCn1ccnn1)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738151572 598586670 /nfs/dbraw/zinc/58/66/70/598586670.db2.gz JKZYOJJGFMWZSJ-ZDUSSCGKSA-N -1 3 399.440 0.389 20 0 GCADHM CC(C)(CNC(=O)CSc1ccc(-c2nnn[n-]2)cc1)NS(C)(=O)=O ZINC000735670130 598587191 /nfs/dbraw/zinc/58/71/91/598587191.db2.gz DYNGERZHSIHAQC-UHFFFAOYSA-N -1 3 384.487 0.403 20 0 GCADHM CC(C)(CNC(=O)CSc1ccc(-c2nn[n-]n2)cc1)NS(C)(=O)=O ZINC000735670130 598587193 /nfs/dbraw/zinc/58/71/93/598587193.db2.gz DYNGERZHSIHAQC-UHFFFAOYSA-N -1 3 384.487 0.403 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NCCS(=O)(=O)NCC1CCC1 ZINC000737893635 598591539 /nfs/dbraw/zinc/59/15/39/598591539.db2.gz BYHHIFLXUKBDRR-UHFFFAOYSA-N -1 3 393.473 0.114 20 0 GCADHM O=S(=O)(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-n2cnnn2)cc1 ZINC000738343260 598594268 /nfs/dbraw/zinc/59/42/68/598594268.db2.gz VSARXYOQXLURLL-UHFFFAOYSA-N -1 3 387.360 0.782 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738316478 598595686 /nfs/dbraw/zinc/59/56/86/598595686.db2.gz AOIKMIYAGMCNHG-CQSZACIVSA-N -1 3 392.485 0.745 20 0 GCADHM O=S(=O)(C[C@@H]1CCOC1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738316478 598595687 /nfs/dbraw/zinc/59/56/87/598595687.db2.gz AOIKMIYAGMCNHG-CQSZACIVSA-N -1 3 392.485 0.745 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000737003125 598595705 /nfs/dbraw/zinc/59/57/05/598595705.db2.gz UERKNURXBZCPKO-CQSZACIVSA-N -1 3 381.458 0.681 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000737003125 598595706 /nfs/dbraw/zinc/59/57/06/598595706.db2.gz UERKNURXBZCPKO-CQSZACIVSA-N -1 3 381.458 0.681 20 0 GCADHM CN(C)C(=O)c1ccc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000736752322 598596303 /nfs/dbraw/zinc/59/63/03/598596303.db2.gz VAZDNZHSXQVYEM-UHFFFAOYSA-N -1 3 380.412 0.805 20 0 GCADHM CN(C)C(=O)c1ccc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000736752322 598596305 /nfs/dbraw/zinc/59/63/05/598596305.db2.gz VAZDNZHSXQVYEM-UHFFFAOYSA-N -1 3 380.412 0.805 20 0 GCADHM C[C@@H]1CN(CCNC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736284811 598596548 /nfs/dbraw/zinc/59/65/48/598596548.db2.gz GKUXIPHSFZEQSZ-RHSMWYFYSA-N -1 3 385.472 0.672 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCCOC[C@@H]1CCOC1 ZINC000738084025 598599015 /nfs/dbraw/zinc/59/90/15/598599015.db2.gz YROHAAINOCHRFM-GFCCVEGCSA-N -1 3 376.421 0.026 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCCOC[C@@H]1CCOC1 ZINC000738084025 598599017 /nfs/dbraw/zinc/59/90/17/598599017.db2.gz YROHAAINOCHRFM-GFCCVEGCSA-N -1 3 376.421 0.026 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cccc(N2CCOC2=O)c1 ZINC000737774481 598601361 /nfs/dbraw/zinc/60/13/61/598601361.db2.gz PUDKUMBBPMLJGA-UHFFFAOYSA-N -1 3 384.356 0.459 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cccc(N2CCOC2=O)c1 ZINC000737774481 598601363 /nfs/dbraw/zinc/60/13/63/598601363.db2.gz PUDKUMBBPMLJGA-UHFFFAOYSA-N -1 3 384.356 0.459 20 0 GCADHM Cc1ccc(C)n1-c1c(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cnn1C ZINC000737328134 598601395 /nfs/dbraw/zinc/60/13/95/598601395.db2.gz CQPWVDRIKHRSHR-UHFFFAOYSA-N -1 3 396.415 0.643 20 0 GCADHM Cc1ccc(C)n1-c1c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cnn1C ZINC000737328134 598601397 /nfs/dbraw/zinc/60/13/97/598601397.db2.gz CQPWVDRIKHRSHR-UHFFFAOYSA-N -1 3 396.415 0.643 20 0 GCADHM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735403030 598602248 /nfs/dbraw/zinc/60/22/48/598602248.db2.gz OBUCFUICTXOLDU-LLVKDONJSA-N -1 3 394.395 0.704 20 0 GCADHM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735403030 598602249 /nfs/dbraw/zinc/60/22/49/598602249.db2.gz OBUCFUICTXOLDU-LLVKDONJSA-N -1 3 394.395 0.704 20 0 GCADHM COc1cc(CCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc(OC)c1 ZINC000737043238 598602825 /nfs/dbraw/zinc/60/28/25/598602825.db2.gz GXYSRZJCZCMECZ-UHFFFAOYSA-N -1 3 387.400 0.839 20 0 GCADHM COc1cc(CCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc(OC)c1 ZINC000737043238 598602826 /nfs/dbraw/zinc/60/28/26/598602826.db2.gz GXYSRZJCZCMECZ-UHFFFAOYSA-N -1 3 387.400 0.839 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cn(Cc2ccccc2)nn1 ZINC000737774636 598603726 /nfs/dbraw/zinc/60/37/26/598603726.db2.gz UIOVBJYIZSYDBO-UHFFFAOYSA-N -1 3 380.372 0.142 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cn(Cc2ccccc2)nn1 ZINC000737774636 598603728 /nfs/dbraw/zinc/60/37/28/598603728.db2.gz UIOVBJYIZSYDBO-UHFFFAOYSA-N -1 3 380.372 0.142 20 0 GCADHM C[C@@H](NC(=O)C1CCCCC1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736103035 598603914 /nfs/dbraw/zinc/60/39/14/598603914.db2.gz VNVWFAJRJAXKRP-SNVBAGLBSA-N -1 3 376.421 0.274 20 0 GCADHM C[C@@H](NC(=O)C1CCCCC1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736103035 598603916 /nfs/dbraw/zinc/60/39/16/598603916.db2.gz VNVWFAJRJAXKRP-SNVBAGLBSA-N -1 3 376.421 0.274 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000737773916 598605149 /nfs/dbraw/zinc/60/51/49/598605149.db2.gz NMOODBCTONNLMN-UHFFFAOYSA-N -1 3 386.397 0.547 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000737773916 598605151 /nfs/dbraw/zinc/60/51/51/598605151.db2.gz NMOODBCTONNLMN-UHFFFAOYSA-N -1 3 386.397 0.547 20 0 GCADHM Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1CC(N)=O ZINC000737532906 598606156 /nfs/dbraw/zinc/60/61/56/598606156.db2.gz MOEMGQSRYRBSKE-QMMMGPOBSA-N -1 3 387.429 0.371 20 0 GCADHM Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1CC(N)=O ZINC000737532906 598606158 /nfs/dbraw/zinc/60/61/58/598606158.db2.gz MOEMGQSRYRBSKE-QMMMGPOBSA-N -1 3 387.429 0.371 20 0 GCADHM Cc1c(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)nnn1-c1cccc(C)c1 ZINC000737380483 598606307 /nfs/dbraw/zinc/60/63/07/598606307.db2.gz AVARBNOASPMCAZ-UHFFFAOYSA-N -1 3 394.399 0.700 20 0 GCADHM Cc1c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)nnn1-c1cccc(C)c1 ZINC000737380483 598606309 /nfs/dbraw/zinc/60/63/09/598606309.db2.gz AVARBNOASPMCAZ-UHFFFAOYSA-N -1 3 394.399 0.700 20 0 GCADHM Cc1nn(C)c2nc(C)c(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)cc12 ZINC000737487378 598606324 /nfs/dbraw/zinc/60/63/24/598606324.db2.gz IDJSZVUWFWZWFP-UHFFFAOYSA-N -1 3 382.388 0.401 20 0 GCADHM Cc1nn(C)c2nc(C)c(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)cc12 ZINC000737487378 598606325 /nfs/dbraw/zinc/60/63/25/598606325.db2.gz IDJSZVUWFWZWFP-UHFFFAOYSA-N -1 3 382.388 0.401 20 0 GCADHM Cc1nc2ccnn2c(C)c1CCC(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737490855 598606385 /nfs/dbraw/zinc/60/63/85/598606385.db2.gz YGOJNHYFUFOQTI-UHFFFAOYSA-N -1 3 396.415 0.481 20 0 GCADHM Cc1nc2ccnn2c(C)c1CCC(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737490855 598606386 /nfs/dbraw/zinc/60/63/86/598606386.db2.gz YGOJNHYFUFOQTI-UHFFFAOYSA-N -1 3 396.415 0.481 20 0 GCADHM O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738288568 598608570 /nfs/dbraw/zinc/60/85/70/598608570.db2.gz DVJMZPZVOJONJQ-UHFFFAOYSA-N -1 3 399.436 0.408 20 0 GCADHM O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738288568 598608572 /nfs/dbraw/zinc/60/85/72/598608572.db2.gz DVJMZPZVOJONJQ-UHFFFAOYSA-N -1 3 399.436 0.408 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCCNc1ccccn1 ZINC000737890787 598612676 /nfs/dbraw/zinc/61/26/76/598612676.db2.gz YGCZSYTXWJXFMB-UHFFFAOYSA-N -1 3 394.439 1.000 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCCNc1ccccn1 ZINC000737890787 598612677 /nfs/dbraw/zinc/61/26/77/598612677.db2.gz YGCZSYTXWJXFMB-UHFFFAOYSA-N -1 3 394.439 1.000 20 0 GCADHM Cn1c2ccccc2n(CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)c1=O ZINC000737590319 598615298 /nfs/dbraw/zinc/61/52/98/598615298.db2.gz OQRZXMQCUMVQPF-UHFFFAOYSA-N -1 3 397.424 0.461 20 0 GCADHM Cn1c2ccccc2n(CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)c1=O ZINC000737590319 598615300 /nfs/dbraw/zinc/61/53/00/598615300.db2.gz OQRZXMQCUMVQPF-UHFFFAOYSA-N -1 3 397.424 0.461 20 0 GCADHM O=C(C1CC1)N1CCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000737782415 598616663 /nfs/dbraw/zinc/61/66/63/598616663.db2.gz FWGFAYGBEWXDBK-HNNXBMFYSA-N -1 3 395.423 0.053 20 0 GCADHM O=C(C1CC1)N1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000737782415 598616665 /nfs/dbraw/zinc/61/66/65/598616665.db2.gz FWGFAYGBEWXDBK-HNNXBMFYSA-N -1 3 395.423 0.053 20 0 GCADHM NC(=O)COc1cccc(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826391679 607362811 /nfs/dbraw/zinc/36/28/11/607362811.db2.gz WRZZNBQIYZQJIL-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM NC(=O)COc1cccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826391679 607362812 /nfs/dbraw/zinc/36/28/12/607362812.db2.gz WRZZNBQIYZQJIL-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM O=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737875132 598618282 /nfs/dbraw/zinc/61/82/82/598618282.db2.gz CBXIELNJKZILRP-JSGCOSHPSA-N -1 3 384.362 0.871 20 0 GCADHM O=C(CN1CCC[C@H]1[C@H](O)C(F)(F)F)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737875132 598618284 /nfs/dbraw/zinc/61/82/84/598618284.db2.gz CBXIELNJKZILRP-JSGCOSHPSA-N -1 3 384.362 0.871 20 0 GCADHM CCOc1ccccc1[C@@H](CC(=O)n1ncc(-c2nnn[n-]2)c1N)NC(C)=O ZINC000736654270 598618889 /nfs/dbraw/zinc/61/88/89/598618889.db2.gz IOFBDXVUBPWMSZ-CYBMUJFWSA-N -1 3 384.400 0.952 20 0 GCADHM O=C(CN(CCO)CCCO)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000737866089 598620025 /nfs/dbraw/zinc/62/00/25/598620025.db2.gz VZTFOIYIDUMMPH-UHFFFAOYSA-N -1 3 394.501 0.812 20 0 GCADHM O=C(CN(CCO)CCCO)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737866089 598620028 /nfs/dbraw/zinc/62/00/28/598620028.db2.gz VZTFOIYIDUMMPH-UHFFFAOYSA-N -1 3 394.501 0.812 20 0 GCADHM O=C(OCc1nnnn1C1CC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738250407 598621226 /nfs/dbraw/zinc/62/12/26/598621226.db2.gz GAMYYNSCABUILU-AWEZNQCLSA-N -1 3 381.400 0.900 20 0 GCADHM O=C(OCCN1C(=O)CCC1=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738220418 598621928 /nfs/dbraw/zinc/62/19/28/598621928.db2.gz HWONUSIROUDEJZ-CQSZACIVSA-N -1 3 384.396 0.528 20 0 GCADHM O=C([C@@H](O)c1cccnc1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737781127 598624573 /nfs/dbraw/zinc/62/45/73/598624573.db2.gz HYGFJXRRCPVYIR-INIZCTEOSA-N -1 3 383.387 0.783 20 0 GCADHM O=C([C@@H](O)c1cccnc1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737781127 598624575 /nfs/dbraw/zinc/62/45/75/598624575.db2.gz HYGFJXRRCPVYIR-INIZCTEOSA-N -1 3 383.387 0.783 20 0 GCADHM NS(=O)(=O)c1ccc(NCCc2cn3ccccc3n2)c(-c2nnn[n-]2)c1 ZINC000737769431 598632665 /nfs/dbraw/zinc/63/26/65/598632665.db2.gz JRLPOCCPFOVNFX-UHFFFAOYSA-N -1 3 384.425 0.816 20 0 GCADHM NS(=O)(=O)c1ccc(NCCc2cn3ccccc3n2)c(-c2nn[n-]n2)c1 ZINC000737769431 598632666 /nfs/dbraw/zinc/63/26/66/598632666.db2.gz JRLPOCCPFOVNFX-UHFFFAOYSA-N -1 3 384.425 0.816 20 0 GCADHM COC(=O)N1CC(NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000821663974 607361460 /nfs/dbraw/zinc/36/14/60/607361460.db2.gz WYCZAFVCICBJSP-UHFFFAOYSA-N -1 3 379.764 0.025 20 0 GCADHM COC(=O)N1CC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000821663974 607361461 /nfs/dbraw/zinc/36/14/61/607361461.db2.gz WYCZAFVCICBJSP-UHFFFAOYSA-N -1 3 379.764 0.025 20 0 GCADHM O=C(CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)NC1CC1 ZINC000737841981 598637079 /nfs/dbraw/zinc/63/70/79/598637079.db2.gz RUCPONIGFKDFOW-UHFFFAOYSA-N -1 3 375.364 0.119 20 0 GCADHM O=C(CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)NC1CC1 ZINC000737841981 598637081 /nfs/dbraw/zinc/63/70/81/598637081.db2.gz RUCPONIGFKDFOW-UHFFFAOYSA-N -1 3 375.364 0.119 20 0 GCADHM Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737618960 598638854 /nfs/dbraw/zinc/63/88/54/598638854.db2.gz PNJJRSSBERVVCW-JTQLQIEISA-N -1 3 399.390 0.479 20 0 GCADHM Cn1cnnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737618960 598638856 /nfs/dbraw/zinc/63/88/56/598638856.db2.gz PNJJRSSBERVVCW-JTQLQIEISA-N -1 3 399.390 0.479 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735622542 598639426 /nfs/dbraw/zinc/63/94/26/598639426.db2.gz AYZCRBSHZLKWFV-UHFFFAOYSA-N -1 3 377.380 0.365 20 0 GCADHM CC(C)(C)NC(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735622542 598639427 /nfs/dbraw/zinc/63/94/27/598639427.db2.gz AYZCRBSHZLKWFV-UHFFFAOYSA-N -1 3 377.380 0.365 20 0 GCADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CCCS(C)(=O)=O)C1=O ZINC000736223543 598645501 /nfs/dbraw/zinc/64/55/01/598645501.db2.gz OBMONLDCKIEJEX-HNNXBMFYSA-N -1 3 378.414 0.068 20 0 GCADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CCCS(C)(=O)=O)C1=O ZINC000736223543 598645503 /nfs/dbraw/zinc/64/55/03/598645503.db2.gz OBMONLDCKIEJEX-HNNXBMFYSA-N -1 3 378.414 0.068 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735473618 598651250 /nfs/dbraw/zinc/65/12/50/598651250.db2.gz BSVMRNMJMYUWTH-NHYWBVRUSA-N -1 3 385.428 0.171 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735473618 598651251 /nfs/dbraw/zinc/65/12/51/598651251.db2.gz BSVMRNMJMYUWTH-NHYWBVRUSA-N -1 3 385.428 0.171 20 0 GCADHM CCS(=O)(=O)CCNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736659874 598657189 /nfs/dbraw/zinc/65/71/89/598657189.db2.gz XYUODCGONYDXLN-UHFFFAOYSA-N -1 3 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NLXAPHMNYVLXNC-UHFFFAOYSA-N -1 3 394.388 0.941 20 0 GCADHM CN(C)S(=O)(=O)c1c[nH]c(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000736770544 598708031 /nfs/dbraw/zinc/70/80/31/598708031.db2.gz NLXAPHMNYVLXNC-UHFFFAOYSA-N -1 3 394.388 0.941 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCCS(=O)(=O)CC2)c(-c2nnn[n-]2)c1C ZINC000737548324 598708159 /nfs/dbraw/zinc/70/81/59/598708159.db2.gz OEOMADBHLQTYIT-JTQLQIEISA-N -1 3 382.446 0.524 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)n1cccn1 ZINC000735513308 598709016 /nfs/dbraw/zinc/70/90/16/598709016.db2.gz KNIUETVBEGZFKV-NSHDSACASA-N -1 3 387.375 0.965 20 0 GCADHM C[C@@H](C(=O)N(C)CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)n1cccn1 ZINC000735513308 598709017 /nfs/dbraw/zinc/70/90/17/598709017.db2.gz KNIUETVBEGZFKV-NSHDSACASA-N -1 3 387.375 0.965 20 0 GCADHM Cc1ccc(C(=O)NCCNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737313556 598710866 /nfs/dbraw/zinc/71/08/66/598710866.db2.gz UPMYSORKUYTDQT-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM Cc1ccc(C(=O)NCCNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737313556 598710867 /nfs/dbraw/zinc/71/08/67/598710867.db2.gz UPMYSORKUYTDQT-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736871095 598711202 /nfs/dbraw/zinc/71/12/02/598711202.db2.gz ORXZAXHTSFKVLI-VIFPVBQESA-N -1 3 384.849 0.667 20 0 GCADHM CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736871095 598711203 /nfs/dbraw/zinc/71/12/03/598711203.db2.gz ORXZAXHTSFKVLI-VIFPVBQESA-N -1 3 384.849 0.667 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000738304476 598711518 /nfs/dbraw/zinc/71/15/18/598711518.db2.gz ZWBJTEHCXDWBEG-ZDUSSCGKSA-N -1 3 376.442 0.642 20 0 GCADHM O=C1CCCN1[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000738304476 598711521 /nfs/dbraw/zinc/71/15/21/598711521.db2.gz ZWBJTEHCXDWBEG-ZDUSSCGKSA-N -1 3 376.442 0.642 20 0 GCADHM C[C@H](NC(=O)COC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000736105479 598713597 /nfs/dbraw/zinc/71/35/97/598713597.db2.gz PTFLAPJDQYKPKU-JTQLQIEISA-N -1 3 392.441 0.095 20 0 GCADHM C[C@H](NC(=O)COC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000736105479 598713599 /nfs/dbraw/zinc/71/35/99/598713599.db2.gz PTFLAPJDQYKPKU-JTQLQIEISA-N -1 3 392.441 0.095 20 0 GCADHM O=C(COC(=O)CSc1ccc(-c2nnn[n-]2)cc1)NC(=O)NC1CC1 ZINC000737904518 598713941 /nfs/dbraw/zinc/71/39/41/598713941.db2.gz OEOHZLPVUWINBQ-UHFFFAOYSA-N -1 3 376.398 0.490 20 0 GCADHM O=C(COC(=O)CSc1ccc(-c2nn[n-]n2)cc1)NC(=O)NC1CC1 ZINC000737904518 598713943 /nfs/dbraw/zinc/71/39/43/598713943.db2.gz OEOHZLPVUWINBQ-UHFFFAOYSA-N -1 3 376.398 0.490 20 0 GCADHM COC(=O)CNC(=O)[C@H](C)OC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736930338 598715359 /nfs/dbraw/zinc/71/53/59/598715359.db2.gz CGSYZWYQHWQMNN-VIFPVBQESA-N -1 3 379.398 0.180 20 0 GCADHM COC(=O)CNC(=O)[C@H](C)OC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736930338 598715361 /nfs/dbraw/zinc/71/53/61/598715361.db2.gz CGSYZWYQHWQMNN-VIFPVBQESA-N -1 3 379.398 0.180 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736881572 598715526 /nfs/dbraw/zinc/71/55/26/598715526.db2.gz DHLGCXVOHGZWIN-UHFFFAOYSA-N -1 3 379.446 0.090 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736881572 598715528 /nfs/dbraw/zinc/71/55/28/598715528.db2.gz DHLGCXVOHGZWIN-UHFFFAOYSA-N -1 3 379.446 0.090 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737130404 598715740 /nfs/dbraw/zinc/71/57/40/598715740.db2.gz WWMOUXVYXHMFNL-OAHLLOKOSA-N -1 3 398.427 0.715 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737130404 598715742 /nfs/dbraw/zinc/71/57/42/598715742.db2.gz WWMOUXVYXHMFNL-OAHLLOKOSA-N -1 3 398.427 0.715 20 0 GCADHM CN(C)S(=O)(=O)CCCN1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736771025 598716760 /nfs/dbraw/zinc/71/67/60/598716760.db2.gz GZUHHZJMJOGZRG-UHFFFAOYSA-N -1 3 397.480 0.409 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000738303826 598721353 /nfs/dbraw/zinc/72/13/53/598721353.db2.gz IFPQRRYXUKIOSD-HNNXBMFYSA-N -1 3 392.423 0.342 20 0 GCADHM O=C([C@@H]1CCC(=O)N1)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000738303826 598721355 /nfs/dbraw/zinc/72/13/55/598721355.db2.gz IFPQRRYXUKIOSD-HNNXBMFYSA-N -1 3 392.423 0.342 20 0 GCADHM COC(=O)c1ncn(CN2CCCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000736957615 598722601 /nfs/dbraw/zinc/72/26/01/598722601.db2.gz UMYGPKKHMZSDGJ-UHFFFAOYSA-N -1 3 383.416 0.415 20 0 GCADHM COC(=O)c1ncn(CN2CCCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000736957615 598722603 /nfs/dbraw/zinc/72/26/03/598722603.db2.gz UMYGPKKHMZSDGJ-UHFFFAOYSA-N -1 3 383.416 0.415 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CCS(=O)(=O)CC1 ZINC000735570226 598723817 /nfs/dbraw/zinc/72/38/17/598723817.db2.gz LIZLSPXMDDMEHF-SECBINFHSA-N -1 3 396.498 0.474 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CCS(=O)(=O)CC1 ZINC000735570226 598723818 /nfs/dbraw/zinc/72/38/18/598723818.db2.gz LIZLSPXMDDMEHF-SECBINFHSA-N -1 3 396.498 0.474 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCCN1C(=O)CNC1=O ZINC000737841922 598725132 /nfs/dbraw/zinc/72/51/32/598725132.db2.gz PEZGRBCGEOYIQK-UHFFFAOYSA-N -1 3 388.384 0.511 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCCN1C(=O)CNC1=O ZINC000737841922 598725134 /nfs/dbraw/zinc/72/51/34/598725134.db2.gz PEZGRBCGEOYIQK-UHFFFAOYSA-N -1 3 388.384 0.511 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@@H]1CCCC[C@H]1O ZINC000738032600 598726146 /nfs/dbraw/zinc/72/61/46/598726146.db2.gz OUYVPCPIANVVJI-HUUCEWRRSA-N -1 3 386.460 0.833 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@@H]1CCCC[C@H]1O ZINC000738032600 598726148 /nfs/dbraw/zinc/72/61/48/598726148.db2.gz OUYVPCPIANVVJI-HUUCEWRRSA-N -1 3 386.460 0.833 20 0 GCADHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCC(=O)N1CCOCC1 ZINC000737840660 598726401 /nfs/dbraw/zinc/72/64/01/598726401.db2.gz BSQFBBJLPFBNTD-UHFFFAOYSA-N -1 3 389.412 0.818 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCC(=O)N1CCOCC1 ZINC000737840660 598726403 /nfs/dbraw/zinc/72/64/03/598726403.db2.gz BSQFBBJLPFBNTD-UHFFFAOYSA-N -1 3 389.412 0.818 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738101377 598733050 /nfs/dbraw/zinc/73/30/50/598733050.db2.gz WKEMIMLQYMKIAE-CQSZACIVSA-N -1 3 386.391 0.813 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738101377 598733051 /nfs/dbraw/zinc/73/30/51/598733051.db2.gz WKEMIMLQYMKIAE-CQSZACIVSA-N -1 3 386.391 0.813 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737126929 598734098 /nfs/dbraw/zinc/73/40/98/598734098.db2.gz HKXRBRBXTSCVQN-OAHLLOKOSA-N -1 3 382.380 0.664 20 0 GCADHM COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737126929 598734099 /nfs/dbraw/zinc/73/40/99/598734099.db2.gz HKXRBRBXTSCVQN-OAHLLOKOSA-N -1 3 382.380 0.664 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)C2 ZINC000736711090 598734341 /nfs/dbraw/zinc/73/43/41/598734341.db2.gz PPCRAMYEVOYSTO-UHFFFAOYSA-N -1 3 381.400 0.310 20 0 GCADHM CCc1nnc2n1CCN(C(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)C2 ZINC000736711090 598734342 /nfs/dbraw/zinc/73/43/42/598734342.db2.gz PPCRAMYEVOYSTO-UHFFFAOYSA-N -1 3 381.400 0.310 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000738178498 598734800 /nfs/dbraw/zinc/73/48/00/598734800.db2.gz TZDBQXVFNCPSHF-CQSZACIVSA-N -1 3 383.412 0.419 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000738178498 598734801 /nfs/dbraw/zinc/73/48/01/598734801.db2.gz TZDBQXVFNCPSHF-CQSZACIVSA-N -1 3 383.412 0.419 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000738177216 598734838 /nfs/dbraw/zinc/73/48/38/598734838.db2.gz GTDYZEGCVGHMHM-UHFFFAOYSA-N -1 3 379.384 0.317 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000738177216 598734839 /nfs/dbraw/zinc/73/48/39/598734839.db2.gz GTDYZEGCVGHMHM-UHFFFAOYSA-N -1 3 379.384 0.317 20 0 GCADHM Cc1csc(=O)n1CCC(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737457515 598739022 /nfs/dbraw/zinc/73/90/22/598739022.db2.gz XXPTUACZXSRJDZ-UHFFFAOYSA-N -1 3 375.414 0.839 20 0 GCADHM Cc1csc(=O)n1CCC(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737457515 598739023 /nfs/dbraw/zinc/73/90/23/598739023.db2.gz XXPTUACZXSRJDZ-UHFFFAOYSA-N -1 3 375.414 0.839 20 0 GCADHM CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000736709843 598742792 /nfs/dbraw/zinc/74/27/92/598742792.db2.gz BMXHFPVHMMFDOR-NSHDSACASA-N -1 3 383.416 0.726 20 0 GCADHM CCc1noc([C@H](C)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000736709843 598742793 /nfs/dbraw/zinc/74/27/93/598742793.db2.gz BMXHFPVHMMFDOR-NSHDSACASA-N -1 3 383.416 0.726 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737444645 598743580 /nfs/dbraw/zinc/74/35/80/598743580.db2.gz NWUYEGCPTRTQMH-MRXNPFEDSA-N -1 3 383.412 0.678 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737444645 598743582 /nfs/dbraw/zinc/74/35/82/598743582.db2.gz NWUYEGCPTRTQMH-MRXNPFEDSA-N -1 3 383.412 0.678 20 0 GCADHM Cc1cnn(C[C@H]2CN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737446577 598743659 /nfs/dbraw/zinc/74/36/59/598743659.db2.gz ZXKHDVCBDPPXCS-MRXNPFEDSA-N -1 3 383.412 0.678 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737894207 598744262 /nfs/dbraw/zinc/74/42/62/598744262.db2.gz IEUVHXJFYLAUSH-LLVKDONJSA-N -1 3 383.334 0.558 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737925605 598744386 /nfs/dbraw/zinc/74/43/86/598744386.db2.gz WVFWAYVTACOJGU-LLVKDONJSA-N -1 3 384.318 0.525 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000737925605 598744388 /nfs/dbraw/zinc/74/43/88/598744388.db2.gz WVFWAYVTACOJGU-LLVKDONJSA-N -1 3 384.318 0.525 20 0 GCADHM CS(=O)(=O)N1CCN(CCNc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000737164718 598746088 /nfs/dbraw/zinc/74/60/88/598746088.db2.gz ALMCEGWWDVHKSQ-UHFFFAOYSA-N -1 3 385.881 0.509 20 0 GCADHM CS(=O)(=O)N1CCN(CCNc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000737164718 598746089 /nfs/dbraw/zinc/74/60/89/598746089.db2.gz ALMCEGWWDVHKSQ-UHFFFAOYSA-N -1 3 385.881 0.509 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1 ZINC000736095887 598750395 /nfs/dbraw/zinc/75/03/95/598750395.db2.gz JWAMTILRHOLCHR-NSHDSACASA-N -1 3 379.380 0.949 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1 ZINC000736095887 598750396 /nfs/dbraw/zinc/75/03/96/598750396.db2.gz JWAMTILRHOLCHR-NSHDSACASA-N -1 3 379.380 0.949 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000737443200 598750856 /nfs/dbraw/zinc/75/08/56/598750856.db2.gz HQCPDZZIGSXIEQ-HNNXBMFYSA-N -1 3 396.411 0.238 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000737443200 598750858 /nfs/dbraw/zinc/75/08/58/598750858.db2.gz HQCPDZZIGSXIEQ-HNNXBMFYSA-N -1 3 396.411 0.238 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000735732498 598754232 /nfs/dbraw/zinc/75/42/32/598754232.db2.gz AGZGMJBPMFWJSP-BXUZGUMPSA-N -1 3 394.457 0.160 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000735732498 598754233 /nfs/dbraw/zinc/75/42/33/598754233.db2.gz AGZGMJBPMFWJSP-BXUZGUMPSA-N -1 3 394.457 0.160 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736036711 598754501 /nfs/dbraw/zinc/75/45/01/598754501.db2.gz AAJKXQSOFKBBTH-NSHDSACASA-N -1 3 383.499 0.991 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736036711 598754502 /nfs/dbraw/zinc/75/45/02/598754502.db2.gz AAJKXQSOFKBBTH-NSHDSACASA-N -1 3 383.499 0.991 20 0 GCADHM O=C(Cn1ccc(=O)[nH]c1=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737987478 598755058 /nfs/dbraw/zinc/75/50/58/598755058.db2.gz YBGAZXHIBSIHNQ-UHFFFAOYSA-N -1 3 397.395 0.199 20 0 GCADHM CC[C@@]1(C(C)C)NC(=O)N(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736397817 598757050 /nfs/dbraw/zinc/75/70/50/598757050.db2.gz VZITVFDCHAOVLM-ACJLOTCBSA-N -1 3 388.428 0.963 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736037493 598757117 /nfs/dbraw/zinc/75/71/17/598757117.db2.gz HIBHBFSXDLHOCK-QMMMGPOBSA-N -1 3 393.878 0.574 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736037493 598757119 /nfs/dbraw/zinc/75/71/19/598757119.db2.gz HIBHBFSXDLHOCK-QMMMGPOBSA-N -1 3 393.878 0.574 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736158716 598758349 /nfs/dbraw/zinc/75/83/49/598758349.db2.gz IMSBDPIWSBKUJH-ZWNOBZJWSA-N -1 3 393.425 0.058 20 0 GCADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736158716 598758351 /nfs/dbraw/zinc/75/83/51/598758351.db2.gz IMSBDPIWSBKUJH-ZWNOBZJWSA-N -1 3 393.425 0.058 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736158678 598758876 /nfs/dbraw/zinc/75/88/76/598758876.db2.gz IMSBDPIWSBKUJH-GWCFXTLKSA-N -1 3 393.425 0.058 20 0 GCADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736158678 598758877 /nfs/dbraw/zinc/75/88/77/598758877.db2.gz IMSBDPIWSBKUJH-GWCFXTLKSA-N -1 3 393.425 0.058 20 0 GCADHM Cc1nc([C@H]2CN([C@@H]3CCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCO2)no1 ZINC000737473626 598760983 /nfs/dbraw/zinc/76/09/83/598760983.db2.gz FDYGWNFVSLFEEB-HUUCEWRRSA-N -1 3 396.411 0.737 20 0 GCADHM Cc1nc([C@H]2CN([C@@H]3CCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCO2)no1 ZINC000737473626 598760984 /nfs/dbraw/zinc/76/09/84/598760984.db2.gz FDYGWNFVSLFEEB-HUUCEWRRSA-N -1 3 396.411 0.737 20 0 GCADHM Cn1cc(-c2ncc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)s2)cn1 ZINC000737592179 598762472 /nfs/dbraw/zinc/76/24/72/598762472.db2.gz LEGNYCRBDSDWAW-UHFFFAOYSA-N -1 3 386.401 0.359 20 0 GCADHM Cn1cc(-c2ncc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)s2)cn1 ZINC000737592179 598762474 /nfs/dbraw/zinc/76/24/74/598762474.db2.gz LEGNYCRBDSDWAW-UHFFFAOYSA-N -1 3 386.401 0.359 20 0 GCADHM COc1c(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(C)nn1C ZINC000737023836 598765870 /nfs/dbraw/zinc/76/58/70/598765870.db2.gz OTLDBVVZADLVNZ-UHFFFAOYSA-N -1 3 383.416 0.275 20 0 GCADHM COc1c(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c(C)nn1C ZINC000737023836 598765871 /nfs/dbraw/zinc/76/58/71/598765871.db2.gz OTLDBVVZADLVNZ-UHFFFAOYSA-N -1 3 383.416 0.275 20 0 GCADHM CN(C(=O)COc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736736636 598768612 /nfs/dbraw/zinc/76/86/12/598768612.db2.gz FWSOWQJXRRJTQL-GFCCVEGCSA-N -1 3 398.345 0.867 20 0 GCADHM CN(C(=O)COc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736736636 598768614 /nfs/dbraw/zinc/76/86/14/598768614.db2.gz FWSOWQJXRRJTQL-GFCCVEGCSA-N -1 3 398.345 0.867 20 0 GCADHM CN(C(=O)COc1ccccc1-c1nnn[n-]1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736737125 598768917 /nfs/dbraw/zinc/76/89/17/598768917.db2.gz NBQZKCFLMUOVTB-NSHDSACASA-N -1 3 398.345 0.867 20 0 GCADHM CN(C(=O)COc1ccccc1-c1nn[n-]n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736737125 598768919 /nfs/dbraw/zinc/76/89/19/598768919.db2.gz NBQZKCFLMUOVTB-NSHDSACASA-N -1 3 398.345 0.867 20 0 GCADHM COCC(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000736966724 598770386 /nfs/dbraw/zinc/77/03/86/598770386.db2.gz YUVNGJRBYAXEDG-UHFFFAOYSA-N -1 3 389.366 0.988 20 0 GCADHM COCC(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000736966724 598770388 /nfs/dbraw/zinc/77/03/88/598770388.db2.gz YUVNGJRBYAXEDG-UHFFFAOYSA-N -1 3 389.366 0.988 20 0 GCADHM CC(C)NC(=O)CNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735885374 598770626 /nfs/dbraw/zinc/77/06/26/598770626.db2.gz XXVZRMBILJOSRA-UHFFFAOYSA-N -1 3 387.444 0.944 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735481851 598773464 /nfs/dbraw/zinc/77/34/64/598773464.db2.gz MNINUJRGUQQCRO-JGVFFNPUSA-N -1 3 380.792 0.915 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735481851 598773465 /nfs/dbraw/zinc/77/34/65/598773465.db2.gz MNINUJRGUQQCRO-JGVFFNPUSA-N -1 3 380.792 0.915 20 0 GCADHM CCCCNC(=O)NC(=O)COC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736460674 598773719 /nfs/dbraw/zinc/77/37/19/598773719.db2.gz JUHHBOKEIBZGNG-UHFFFAOYSA-N -1 3 376.373 0.415 20 0 GCADHM CCCCNC(=O)NC(=O)COC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736460674 598773720 /nfs/dbraw/zinc/77/37/20/598773720.db2.gz JUHHBOKEIBZGNG-UHFFFAOYSA-N -1 3 376.373 0.415 20 0 GCADHM COc1c(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)c(C)nn1C ZINC000737023730 598779803 /nfs/dbraw/zinc/77/98/03/598779803.db2.gz MWGMJHULLSRAOI-UHFFFAOYSA-N -1 3 389.372 0.923 20 0 GCADHM COc1c(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c(C)nn1C ZINC000737022778 598780014 /nfs/dbraw/zinc/78/00/14/598780014.db2.gz BNZHQDLQTURKSM-UHFFFAOYSA-N -1 3 385.384 0.390 20 0 GCADHM COc1c(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C)nn1C ZINC000737022778 598780015 /nfs/dbraw/zinc/78/00/15/598780015.db2.gz BNZHQDLQTURKSM-UHFFFAOYSA-N -1 3 385.384 0.390 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@H]1Cn1cncn1 ZINC000738078153 598783332 /nfs/dbraw/zinc/78/33/32/598783332.db2.gz NXQWROJOZMSXNC-LBPRGKRZSA-N -1 3 383.420 0.139 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@H]1Cn1cncn1 ZINC000738078153 598783333 /nfs/dbraw/zinc/78/33/33/598783333.db2.gz NXQWROJOZMSXNC-LBPRGKRZSA-N -1 3 383.420 0.139 20 0 GCADHM CNC(=O)CCCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736870232 598783452 /nfs/dbraw/zinc/78/34/52/598783452.db2.gz GCVHFIVFVAKXIG-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM CN(C)C(=O)CCNC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736747081 598783706 /nfs/dbraw/zinc/78/37/06/598783706.db2.gz NMYRSKXLCZNJJF-UHFFFAOYSA-N -1 3 387.444 0.898 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)[C@H](C)CC ZINC000736636142 598784157 /nfs/dbraw/zinc/78/41/57/598784157.db2.gz PAGANDMLNUMAIN-ZWNOBZJWSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)[C@H](C)CC ZINC000736636142 598784159 /nfs/dbraw/zinc/78/41/59/598784159.db2.gz PAGANDMLNUMAIN-ZWNOBZJWSA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)c1ccccc1C ZINC000737056973 598784521 /nfs/dbraw/zinc/78/45/21/598784521.db2.gz FNCPRBZYQHFGPP-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)c1ccccc1C ZINC000737056973 598784523 /nfs/dbraw/zinc/78/45/23/598784523.db2.gz FNCPRBZYQHFGPP-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C(N)=O ZINC000737272470 598785389 /nfs/dbraw/zinc/78/53/89/598785389.db2.gz ROJXAQWCXUVVFG-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C(N)=O ZINC000737272470 598785390 /nfs/dbraw/zinc/78/53/90/598785390.db2.gz ROJXAQWCXUVVFG-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM COCCNC(=O)c1ccc(NCCNc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC000737006219 598785520 /nfs/dbraw/zinc/78/55/20/598785520.db2.gz IFMLVQIONGBVOL-UHFFFAOYSA-N -1 3 383.416 0.557 20 0 GCADHM COCCNC(=O)c1ccc(NCCNc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC000737006219 598785523 /nfs/dbraw/zinc/78/55/23/598785523.db2.gz IFMLVQIONGBVOL-UHFFFAOYSA-N -1 3 383.416 0.557 20 0 GCADHM C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736154893 598787383 /nfs/dbraw/zinc/78/73/83/598787383.db2.gz ZWACNIJYXKPTOY-ZETCQYMHSA-N -1 3 391.775 0.656 20 0 GCADHM C[C@H](OC(=O)C1=NNC(=O)CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736154893 598787385 /nfs/dbraw/zinc/78/73/85/598787385.db2.gz ZWACNIJYXKPTOY-ZETCQYMHSA-N -1 3 391.775 0.656 20 0 GCADHM O=S(=O)(CCNc1cccc(F)c1-c1nnn[n-]1)NC[C@@H]1CCCCO1 ZINC000738330435 598787757 /nfs/dbraw/zinc/78/77/57/598787757.db2.gz NVXMQRHGUMZRSU-NSHDSACASA-N -1 3 384.437 0.906 20 0 GCADHM O=S(=O)(CCNc1cccc(F)c1-c1nn[n-]n1)NC[C@@H]1CCCCO1 ZINC000738330435 598787759 /nfs/dbraw/zinc/78/77/59/598787759.db2.gz NVXMQRHGUMZRSU-NSHDSACASA-N -1 3 384.437 0.906 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OC[C@@H]1COCCO1 ZINC000737033031 598787992 /nfs/dbraw/zinc/78/79/92/598787992.db2.gz MPTJUCFRJBKURF-ZDUSSCGKSA-N -1 3 378.385 0.993 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OC[C@@H]1COCCO1 ZINC000737033031 598787994 /nfs/dbraw/zinc/78/79/94/598787994.db2.gz MPTJUCFRJBKURF-ZDUSSCGKSA-N -1 3 378.385 0.993 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=S)NCCS(C)(=O)=O ZINC000736478753 598788862 /nfs/dbraw/zinc/78/88/62/598788862.db2.gz BJKHFQYAPQRMFI-UHFFFAOYSA-N -1 3 382.515 0.998 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=S)NCCS(C)(=O)=O ZINC000736478753 598788864 /nfs/dbraw/zinc/78/88/64/598788864.db2.gz BJKHFQYAPQRMFI-UHFFFAOYSA-N -1 3 382.515 0.998 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(C)(=O)=O ZINC000736502307 598792541 /nfs/dbraw/zinc/79/25/41/598792541.db2.gz LMPLKYNWWLXQFU-VXGBXAGGSA-N -1 3 381.458 0.916 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nnn[n-]2)cc1OC)[C@@H](C)CS(C)(=O)=O ZINC000736504213 598792815 /nfs/dbraw/zinc/79/28/15/598792815.db2.gz BSXYXPNJZKCKDE-NSHDSACASA-N -1 3 397.457 0.536 20 0 GCADHM CCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1OC)[C@@H](C)CS(C)(=O)=O ZINC000736504213 598792817 /nfs/dbraw/zinc/79/28/17/598792817.db2.gz BSXYXPNJZKCKDE-NSHDSACASA-N -1 3 397.457 0.536 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000738019567 598793467 /nfs/dbraw/zinc/79/34/67/598793467.db2.gz KAMFPIYAEXRWHK-UHFFFAOYSA-N -1 3 375.820 0.447 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000738019567 598793468 /nfs/dbraw/zinc/79/34/68/598793468.db2.gz KAMFPIYAEXRWHK-UHFFFAOYSA-N -1 3 375.820 0.447 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000738143474 598793951 /nfs/dbraw/zinc/79/39/51/598793951.db2.gz DIHPXQCQYLNVKA-VIFPVBQESA-N -1 3 387.791 0.181 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000738143474 598793952 /nfs/dbraw/zinc/79/39/52/598793952.db2.gz DIHPXQCQYLNVKA-VIFPVBQESA-N -1 3 387.791 0.181 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCc3cncnc3C2)cc1 ZINC000737775898 598794235 /nfs/dbraw/zinc/79/42/35/598794235.db2.gz IDNHXCXBWFXFAS-UHFFFAOYSA-N -1 3 388.395 0.623 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCc3cncnc3C2)cc1 ZINC000737775898 598794237 /nfs/dbraw/zinc/79/42/37/598794237.db2.gz IDNHXCXBWFXFAS-UHFFFAOYSA-N -1 3 388.395 0.623 20 0 GCADHM CC(=O)NCCCNC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735473404 598799928 /nfs/dbraw/zinc/79/99/28/598799928.db2.gz ICLLEWBRLURESF-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM CC(=O)NCCCNC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735473404 598799929 /nfs/dbraw/zinc/79/99/29/598799929.db2.gz ICLLEWBRLURESF-UHFFFAOYSA-N -1 3 387.444 0.946 20 0 GCADHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736160940 598801806 /nfs/dbraw/zinc/80/18/06/598801806.db2.gz AJIQACOEEFHHMP-MFKMUULPSA-N -1 3 393.425 0.058 20 0 GCADHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000736160940 598801808 /nfs/dbraw/zinc/80/18/08/598801808.db2.gz AJIQACOEEFHHMP-MFKMUULPSA-N -1 3 393.425 0.058 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCc2cncnc2C1 ZINC000737058393 598801886 /nfs/dbraw/zinc/80/18/86/598801886.db2.gz XCWOEVQVDDPPQN-UHFFFAOYSA-N -1 3 380.368 0.189 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCc2cncnc2C1 ZINC000737058393 598801887 /nfs/dbraw/zinc/80/18/87/598801887.db2.gz XCWOEVQVDDPPQN-UHFFFAOYSA-N -1 3 380.368 0.189 20 0 GCADHM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(-c3nnn[n-]3)cn1)C2=O ZINC000736261627 598805674 /nfs/dbraw/zinc/80/56/74/598805674.db2.gz LCYJWEFYJWCBSE-DYZYQPBXSA-N -1 3 384.400 0.701 20 0 GCADHM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc(-c3nn[n-]n3)cn1)C2=O ZINC000736261627 598805675 /nfs/dbraw/zinc/80/56/75/598805675.db2.gz LCYJWEFYJWCBSE-DYZYQPBXSA-N -1 3 384.400 0.701 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000736179237 598807295 /nfs/dbraw/zinc/80/72/95/598807295.db2.gz BNAJCUPFCDJIND-NSHDSACASA-N -1 3 394.457 0.161 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000736179237 598807296 /nfs/dbraw/zinc/80/72/96/598807296.db2.gz BNAJCUPFCDJIND-NSHDSACASA-N -1 3 394.457 0.161 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC000736171532 598807425 /nfs/dbraw/zinc/80/74/25/598807425.db2.gz WZOBPKOQFIZKRX-NSHDSACASA-N -1 3 394.457 0.161 20 0 GCADHM COCCN1C[C@H](C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000737005268 598808624 /nfs/dbraw/zinc/80/86/24/598808624.db2.gz AAEMWHXDHOXPAD-CYBMUJFWSA-N -1 3 396.411 0.486 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000736812194 598808939 /nfs/dbraw/zinc/80/89/39/598808939.db2.gz DEBWTMAVKKVQQC-UHFFFAOYSA-N -1 3 386.437 0.715 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000736812194 598808940 /nfs/dbraw/zinc/80/89/40/598808940.db2.gz DEBWTMAVKKVQQC-UHFFFAOYSA-N -1 3 386.437 0.715 20 0 GCADHM CC1(C)C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736204758 598811651 /nfs/dbraw/zinc/81/16/51/598811651.db2.gz GVVNCAHENWPWDN-UHFFFAOYSA-N -1 3 389.485 0.956 20 0 GCADHM CC1(C)C(=O)NCCN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736204758 598811653 /nfs/dbraw/zinc/81/16/53/598811653.db2.gz GVVNCAHENWPWDN-UHFFFAOYSA-N -1 3 389.485 0.956 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000736167737 598813149 /nfs/dbraw/zinc/81/31/49/598813149.db2.gz GFCGMWXNIVNRKX-LLVKDONJSA-N -1 3 381.458 0.964 20 0 GCADHM CC(C)NC(=O)CCCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000735885423 598813578 /nfs/dbraw/zinc/81/35/78/598813578.db2.gz ZFGCFUQTBIGBBM-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM CC(C)NC(=O)CCCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000735885423 598813581 /nfs/dbraw/zinc/81/35/81/598813581.db2.gz ZFGCFUQTBIGBBM-UHFFFAOYSA-N -1 3 386.460 0.605 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCCn2ccnc2)cc1 ZINC000737775851 598815134 /nfs/dbraw/zinc/81/51/34/598815134.db2.gz GIJBFYXFNCBOLQ-UHFFFAOYSA-N -1 3 378.400 0.651 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCCn2ccnc2)cc1 ZINC000737775851 598815135 /nfs/dbraw/zinc/81/51/35/598815135.db2.gz GIJBFYXFNCBOLQ-UHFFFAOYSA-N -1 3 378.400 0.651 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000736498467 598816276 /nfs/dbraw/zinc/81/62/76/598816276.db2.gz SOXPNBZZZZRUSC-GFCCVEGCSA-N -1 3 395.441 0.985 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000736498467 598816277 /nfs/dbraw/zinc/81/62/77/598816277.db2.gz SOXPNBZZZZRUSC-GFCCVEGCSA-N -1 3 395.441 0.985 20 0 GCADHM CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000736731522 598818520 /nfs/dbraw/zinc/81/85/20/598818520.db2.gz HKOKTUSRDBGTEL-OAHLLOKOSA-N -1 3 399.455 0.010 20 0 GCADHM CN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000736731522 598818521 /nfs/dbraw/zinc/81/85/21/598818521.db2.gz HKOKTUSRDBGTEL-OAHLLOKOSA-N -1 3 399.455 0.010 20 0 GCADHM CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000736731521 598818568 /nfs/dbraw/zinc/81/85/68/598818568.db2.gz HKOKTUSRDBGTEL-HNNXBMFYSA-N -1 3 399.455 0.010 20 0 GCADHM CN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000736731521 598818569 /nfs/dbraw/zinc/81/85/69/598818569.db2.gz HKOKTUSRDBGTEL-HNNXBMFYSA-N -1 3 399.455 0.010 20 0 GCADHM COC(=O)N(C)CCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736932158 598819317 /nfs/dbraw/zinc/81/93/17/598819317.db2.gz HNDIEFIQGOVKTD-UHFFFAOYSA-N -1 3 388.432 0.389 20 0 GCADHM COC(=O)N(C)CCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736932158 598819318 /nfs/dbraw/zinc/81/93/18/598819318.db2.gz HNDIEFIQGOVKTD-UHFFFAOYSA-N -1 3 388.432 0.389 20 0 GCADHM COCCCN(C(=O)c1sccc1-c1nnn[n-]1)[C@@H]1CCS(=O)(=O)C1 ZINC000736982558 598819469 /nfs/dbraw/zinc/81/94/69/598819469.db2.gz ZPLHDWJKGBAOER-SNVBAGLBSA-N -1 3 385.471 0.594 20 0 GCADHM COCCCN(C(=O)c1sccc1-c1nn[n-]n1)[C@@H]1CCS(=O)(=O)C1 ZINC000736982558 598819471 /nfs/dbraw/zinc/81/94/71/598819471.db2.gz ZPLHDWJKGBAOER-SNVBAGLBSA-N -1 3 385.471 0.594 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736657295 598819872 /nfs/dbraw/zinc/81/98/72/598819872.db2.gz RUQCVWWYHPJWSN-LBPRGKRZSA-N -1 3 380.474 0.950 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736870571 598819875 /nfs/dbraw/zinc/81/98/75/598819875.db2.gz JQVZTBOSZACFLX-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736870571 598819877 /nfs/dbraw/zinc/81/98/77/598819877.db2.gz JQVZTBOSZACFLX-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CCN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H](C)CS(=O)(=O)CC ZINC000736511989 598820026 /nfs/dbraw/zinc/82/00/26/598820026.db2.gz XCGNMNMSPKHLPQ-GFCCVEGCSA-N -1 3 380.474 0.950 20 0 GCADHM CCN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H](C)CS(=O)(=O)CC ZINC000736511989 598820028 /nfs/dbraw/zinc/82/00/28/598820028.db2.gz XCGNMNMSPKHLPQ-GFCCVEGCSA-N -1 3 380.474 0.950 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)CCN2CCCC2=O)c(-c2nnn[n-]2)c1C ZINC000737549435 598820781 /nfs/dbraw/zinc/82/07/81/598820781.db2.gz VCLJJTFCONYRPG-NSHDSACASA-N -1 3 375.433 0.958 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)CCN2CCCC2=O)c(-c2nn[n-]n2)c1C ZINC000737549435 598820784 /nfs/dbraw/zinc/82/07/84/598820784.db2.gz VCLJJTFCONYRPG-NSHDSACASA-N -1 3 375.433 0.958 20 0 GCADHM O=C(c1sccc1-c1nnn[n-]1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000738258501 598821209 /nfs/dbraw/zinc/82/12/09/598821209.db2.gz OGUBAFDQXYKGDA-UHFFFAOYSA-N -1 3 385.409 0.627 20 0 GCADHM O=C(c1sccc1-c1nn[n-]n1)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000738258501 598821210 /nfs/dbraw/zinc/82/12/10/598821210.db2.gz OGUBAFDQXYKGDA-UHFFFAOYSA-N -1 3 385.409 0.627 20 0 GCADHM O=C1CNC(=O)N1CCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738307339 598822320 /nfs/dbraw/zinc/82/23/20/598822320.db2.gz RDOKLXAGMJZTFG-UHFFFAOYSA-N -1 3 380.821 0.358 20 0 GCADHM O=C1CNC(=O)N1CCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738307339 598822321 /nfs/dbraw/zinc/82/23/21/598822321.db2.gz RDOKLXAGMJZTFG-UHFFFAOYSA-N -1 3 380.821 0.358 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736039361 598822896 /nfs/dbraw/zinc/82/28/96/598822896.db2.gz IUNRTMHGQSTOOZ-LLVKDONJSA-N -1 3 379.442 0.670 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736180365 598822900 /nfs/dbraw/zinc/82/29/00/598822900.db2.gz HIYDKIYQPKXSSC-WOPDTQHZSA-N -1 3 381.458 0.914 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736180365 598822901 /nfs/dbraw/zinc/82/29/01/598822901.db2.gz HIYDKIYQPKXSSC-WOPDTQHZSA-N -1 3 381.458 0.914 20 0 GCADHM CC[C@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736408320 599293317 /nfs/dbraw/zinc/29/33/17/599293317.db2.gz SOLSYWLOFXNXJP-STQMWFEESA-N -1 3 377.474 0.899 20 0 GCADHM CC[C@H]1CN2CCCC[C@H]2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736408320 599293319 /nfs/dbraw/zinc/29/33/19/599293319.db2.gz SOLSYWLOFXNXJP-STQMWFEESA-N -1 3 377.474 0.899 20 0 GCADHM CN1C(=O)c2ccc(C(=O)Nc3nc4n(c3-c3nnn[n-]3)CCS4)cc2C1=O ZINC000736848168 599294082 /nfs/dbraw/zinc/29/40/82/599294082.db2.gz ZHKFLDRUXKRDET-UHFFFAOYSA-N -1 3 396.392 0.647 20 0 GCADHM CN1C(=O)c2ccc(C(=O)Nc3nc4n(c3-c3nn[n-]n3)CCS4)cc2C1=O ZINC000736848168 599294083 /nfs/dbraw/zinc/29/40/83/599294083.db2.gz ZHKFLDRUXKRDET-UHFFFAOYSA-N -1 3 396.392 0.647 20 0 GCADHM O=C(COC(=O)[C@@H](CO)NC(=O)c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826415162 607367634 /nfs/dbraw/zinc/36/76/34/607367634.db2.gz UJAAVUXJRNQBJT-OAHLLOKOSA-N -1 3 395.375 0.384 20 0 GCADHM O=C(COC(=O)[C@@H](CO)NC(=O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826415162 607367636 /nfs/dbraw/zinc/36/76/36/607367636.db2.gz UJAAVUXJRNQBJT-OAHLLOKOSA-N -1 3 395.375 0.384 20 0 GCADHM Cn1nccc1[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000737629491 599295345 /nfs/dbraw/zinc/29/53/45/599295345.db2.gz WGWDMOGDUQZMHQ-LLVKDONJSA-N -1 3 388.457 0.632 20 0 GCADHM Cn1nccc1[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000737629491 599295347 /nfs/dbraw/zinc/29/53/47/599295347.db2.gz WGWDMOGDUQZMHQ-LLVKDONJSA-N -1 3 388.457 0.632 20 0 GCADHM O=C(Nc1nc2n(c1-c1nnn[n-]1)CCS2)c1ccc(N2CCCC2)nn1 ZINC000738206404 599297549 /nfs/dbraw/zinc/29/75/49/599297549.db2.gz HBHNJSYGBQCKEO-UHFFFAOYSA-N -1 3 384.429 0.811 20 0 GCADHM O=C(Nc1nc2n(c1-c1nn[n-]n1)CCS2)c1ccc(N2CCCC2)nn1 ZINC000738206404 599297551 /nfs/dbraw/zinc/29/75/51/599297551.db2.gz HBHNJSYGBQCKEO-UHFFFAOYSA-N -1 3 384.429 0.811 20 0 GCADHM CC[C@@H]1CN(C(=O)COc2ccccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000736413674 599298861 /nfs/dbraw/zinc/29/88/61/599298861.db2.gz YOABOHQNERTLJE-ZBFHGGJFSA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@@H]1CN(C(=O)COc2ccccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000736413674 599298864 /nfs/dbraw/zinc/29/88/64/599298864.db2.gz YOABOHQNERTLJE-ZBFHGGJFSA-N -1 3 386.456 0.815 20 0 GCADHM CC(C)N1C(=O)CN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1(C)C ZINC000820126923 599308116 /nfs/dbraw/zinc/30/81/16/599308116.db2.gz FIMLDMAHJRTXSA-OAHLLOKOSA-N -1 3 388.472 0.938 20 0 GCADHM CN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733170 599310290 /nfs/dbraw/zinc/31/02/90/599310290.db2.gz RZCGKWJKGPMUSA-INIZCTEOSA-N -1 3 390.407 0.950 20 0 GCADHM CN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733170 599310293 /nfs/dbraw/zinc/31/02/93/599310293.db2.gz RZCGKWJKGPMUSA-INIZCTEOSA-N -1 3 390.407 0.950 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000737272618 599314567 /nfs/dbraw/zinc/31/45/67/599314567.db2.gz UKKGPAWKYGERIE-HNNXBMFYSA-N -1 3 394.439 0.763 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000737272618 599314571 /nfs/dbraw/zinc/31/45/71/599314571.db2.gz UKKGPAWKYGERIE-HNNXBMFYSA-N -1 3 394.439 0.763 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000737272620 599314777 /nfs/dbraw/zinc/31/47/77/599314777.db2.gz UKKGPAWKYGERIE-OAHLLOKOSA-N -1 3 394.439 0.763 20 0 GCADHM Cc1cc(N2CC[C@@H](NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000737272620 599314780 /nfs/dbraw/zinc/31/47/80/599314780.db2.gz UKKGPAWKYGERIE-OAHLLOKOSA-N -1 3 394.439 0.763 20 0 GCADHM CC(C)N(C)S(=O)(=O)Nc1ccccc1-n1ncc(-c2nnn[n-]2)c1N ZINC000735858762 599315008 /nfs/dbraw/zinc/31/50/08/599315008.db2.gz CRBYRMMTIJFLIE-UHFFFAOYSA-N -1 3 377.434 0.632 20 0 GCADHM CC(C)N(C)S(=O)(=O)Nc1ccccc1-n1ncc(-c2nn[n-]n2)c1N ZINC000735858762 599315011 /nfs/dbraw/zinc/31/50/11/599315011.db2.gz CRBYRMMTIJFLIE-UHFFFAOYSA-N -1 3 377.434 0.632 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC(=O)Nc2cnccc21 ZINC000737026016 599315478 /nfs/dbraw/zinc/31/54/78/599315478.db2.gz UNLBBVYCESXGDW-UHFFFAOYSA-N -1 3 381.352 0.634 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC(=O)Nc2cnccc21 ZINC000737026016 599315482 /nfs/dbraw/zinc/31/54/82/599315482.db2.gz UNLBBVYCESXGDW-UHFFFAOYSA-N -1 3 381.352 0.634 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000735906262 599318642 /nfs/dbraw/zinc/31/86/42/599318642.db2.gz QLBLOWLSNQOCRA-UHFFFAOYSA-N -1 3 387.400 0.923 20 0 GCADHM C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820438325 599321999 /nfs/dbraw/zinc/32/19/99/599321999.db2.gz MWVXYENVQWLSNE-VIFPVBQESA-N -1 3 375.414 0.344 20 0 GCADHM C[C@H](NS(=O)(=O)c1cc(C(N)=O)n(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820438325 599322002 /nfs/dbraw/zinc/32/20/02/599322002.db2.gz MWVXYENVQWLSNE-VIFPVBQESA-N -1 3 375.414 0.344 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1nc(CS(C)(=O)=O)no1 ZINC000736635460 599327613 /nfs/dbraw/zinc/32/76/13/599327613.db2.gz UOXGHXGSUZWBOH-UHFFFAOYSA-N -1 3 379.402 0.805 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1nc(CS(C)(=O)=O)no1 ZINC000736635460 599327615 /nfs/dbraw/zinc/32/76/15/599327615.db2.gz UOXGHXGSUZWBOH-UHFFFAOYSA-N -1 3 379.402 0.805 20 0 GCADHM NC(=O)c1ccc(OCC(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826393284 607369601 /nfs/dbraw/zinc/36/96/01/607369601.db2.gz LKVVWVLWVHQRIW-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM NC(=O)c1ccc(OCC(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826393284 607369603 /nfs/dbraw/zinc/36/96/03/607369603.db2.gz LKVVWVLWVHQRIW-UHFFFAOYSA-N -1 3 381.348 0.771 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)O[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737924755 599335643 /nfs/dbraw/zinc/33/56/43/599335643.db2.gz KGBMKCPFVLJJLP-NSHDSACASA-N -1 3 385.302 0.952 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)O[C@H]1CCN(CC(F)(F)F)C1=O ZINC000737924755 599335647 /nfs/dbraw/zinc/33/56/47/599335647.db2.gz KGBMKCPFVLJJLP-NSHDSACASA-N -1 3 385.302 0.952 20 0 GCADHM Cn1nnnc1-c1cccc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822714981 599339055 /nfs/dbraw/zinc/33/90/55/599339055.db2.gz YKBYMKYBFWAEAU-UHFFFAOYSA-N -1 3 397.424 0.536 20 0 GCADHM Cn1nnnc1-c1cccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822714981 599339059 /nfs/dbraw/zinc/33/90/59/599339059.db2.gz YKBYMKYBFWAEAU-UHFFFAOYSA-N -1 3 397.424 0.536 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2C)cn1 ZINC000821663816 599342822 /nfs/dbraw/zinc/34/28/22/599342822.db2.gz PBGOCPZGEHKROT-UHFFFAOYSA-N -1 3 378.370 0.312 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2C)cn1 ZINC000821663816 599342825 /nfs/dbraw/zinc/34/28/25/599342825.db2.gz PBGOCPZGEHKROT-UHFFFAOYSA-N -1 3 378.370 0.312 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)[C@H](C)Oc3ccccc3-c3nn[n-]n3)CC2)[nH]1 ZINC000737478910 599343773 /nfs/dbraw/zinc/34/37/73/599343773.db2.gz VIWKACBRRNUWSO-LBPRGKRZSA-N -1 3 397.443 0.405 20 0 GCADHM COC(=O)[C@@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(C)(C)C ZINC000736893408 599343994 /nfs/dbraw/zinc/34/39/94/599343994.db2.gz CPKBKIWZGCRNKK-CYBMUJFWSA-N -1 3 398.427 0.952 20 0 GCADHM COC(=O)[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(C)(C)C ZINC000736893408 599343997 /nfs/dbraw/zinc/34/39/97/599343997.db2.gz CPKBKIWZGCRNKK-CYBMUJFWSA-N -1 3 398.427 0.952 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000737920222 599345108 /nfs/dbraw/zinc/34/51/08/599345108.db2.gz SGEAQBKOXCLIFA-CQSZACIVSA-N -1 3 380.412 0.821 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCC[C@H](O)C(F)(F)F)cc1 ZINC000737776708 599349395 /nfs/dbraw/zinc/34/93/95/599349395.db2.gz QEWDGVXUXUTDEI-NSHDSACASA-N -1 3 396.333 0.678 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCC[C@H](O)C(F)(F)F)cc1 ZINC000737776708 599349397 /nfs/dbraw/zinc/34/93/97/599349397.db2.gz QEWDGVXUXUTDEI-NSHDSACASA-N -1 3 396.333 0.678 20 0 GCADHM CN(CCCNC(=O)CSc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC000821599057 599350003 /nfs/dbraw/zinc/35/00/03/599350003.db2.gz DKDXAKZBEGDYSA-UHFFFAOYSA-N -1 3 384.487 0.357 20 0 GCADHM CN(CCCNC(=O)CSc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC000821599057 599350005 /nfs/dbraw/zinc/35/00/05/599350005.db2.gz DKDXAKZBEGDYSA-UHFFFAOYSA-N -1 3 384.487 0.357 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000736881560 599352223 /nfs/dbraw/zinc/35/22/23/599352223.db2.gz CREMGNQFYFQVTF-LLVKDONJSA-N -1 3 395.445 0.421 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000736881560 599352226 /nfs/dbraw/zinc/35/22/26/599352226.db2.gz CREMGNQFYFQVTF-LLVKDONJSA-N -1 3 395.445 0.421 20 0 GCADHM Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000822679305 599352653 /nfs/dbraw/zinc/35/26/53/599352653.db2.gz AIZMOOBPBIPLSX-CYBMUJFWSA-N -1 3 388.457 0.548 20 0 GCADHM Cn1cc(N2CCC[C@@H](NS(=O)(=O)c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000822679305 599352654 /nfs/dbraw/zinc/35/26/54/599352654.db2.gz AIZMOOBPBIPLSX-CYBMUJFWSA-N -1 3 388.457 0.548 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(CCOc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737769161 599355399 /nfs/dbraw/zinc/35/53/99/599355399.db2.gz GJXAYKXGEOAADZ-UHFFFAOYSA-N -1 3 386.437 0.956 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(CCOc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737769161 599355401 /nfs/dbraw/zinc/35/54/01/599355401.db2.gz GJXAYKXGEOAADZ-UHFFFAOYSA-N -1 3 386.437 0.956 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(CCOc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737769150 599355501 /nfs/dbraw/zinc/35/55/01/599355501.db2.gz GACXIXDDBDSOEL-UHFFFAOYSA-N -1 3 386.437 0.956 20 0 GCADHM CC[C@H](O)CN1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000736383458 599357616 /nfs/dbraw/zinc/35/76/16/599357616.db2.gz RUXGHKUARZRLFA-OCCSQVGLSA-N -1 3 391.476 0.792 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000822146485 599358649 /nfs/dbraw/zinc/35/86/49/599358649.db2.gz YGGNCIZQPXWOAB-AWEZNQCLSA-N -1 3 392.485 0.518 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000822146485 599358653 /nfs/dbraw/zinc/35/86/53/599358653.db2.gz YGGNCIZQPXWOAB-AWEZNQCLSA-N -1 3 392.485 0.518 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000822222871 599358888 /nfs/dbraw/zinc/35/88/88/599358888.db2.gz WRPKZNHKZXBCTK-AWEZNQCLSA-N -1 3 392.485 0.518 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC000822222871 599358891 /nfs/dbraw/zinc/35/88/91/599358891.db2.gz WRPKZNHKZXBCTK-AWEZNQCLSA-N -1 3 392.485 0.518 20 0 GCADHM O=C([C@H](O)C1CCOCC1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737783868 599360590 /nfs/dbraw/zinc/36/05/90/599360590.db2.gz UHUVXKROOGBKII-MRXNPFEDSA-N -1 3 390.419 0.442 20 0 GCADHM O=C([C@H](O)C1CCOCC1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737782135 599360722 /nfs/dbraw/zinc/36/07/22/599360722.db2.gz LIJKPQNIQBZWAU-MRXNPFEDSA-N -1 3 390.419 0.442 20 0 GCADHM O=C([C@H](O)C1CCOCC1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737782135 599360725 /nfs/dbraw/zinc/36/07/25/599360725.db2.gz LIJKPQNIQBZWAU-MRXNPFEDSA-N -1 3 390.419 0.442 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000735624047 599362731 /nfs/dbraw/zinc/36/27/31/599362731.db2.gz QNRQPVUIAVZATD-UHFFFAOYSA-N -1 3 398.420 0.903 20 0 GCADHM CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000735624047 599362733 /nfs/dbraw/zinc/36/27/33/599362733.db2.gz QNRQPVUIAVZATD-UHFFFAOYSA-N -1 3 398.420 0.903 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1ccc(N2CCCC2)nn1 ZINC000738222311 599362839 /nfs/dbraw/zinc/36/28/39/599362839.db2.gz FFPBZNBKOISBQU-UHFFFAOYSA-N -1 3 381.400 0.921 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1ccc(N2CCCC2)nn1 ZINC000738222311 599362842 /nfs/dbraw/zinc/36/28/42/599362842.db2.gz FFPBZNBKOISBQU-UHFFFAOYSA-N -1 3 381.400 0.921 20 0 GCADHM C[C@H](O)CNC(=O)c1cccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000736149648 599363301 /nfs/dbraw/zinc/36/33/01/599363301.db2.gz VPQJOOUCMVCXBK-LBPRGKRZSA-N -1 3 396.407 0.995 20 0 GCADHM C[C@H](O)CNC(=O)c1cccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000736149648 599363303 /nfs/dbraw/zinc/36/33/03/599363303.db2.gz VPQJOOUCMVCXBK-LBPRGKRZSA-N -1 3 396.407 0.995 20 0 GCADHM Cc1ccc(S(=O)(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1C(N)=O ZINC000822267497 599365914 /nfs/dbraw/zinc/36/59/14/599365914.db2.gz XDNHWKOUCFDKAY-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM Cc1ccc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1C(N)=O ZINC000822267497 599365916 /nfs/dbraw/zinc/36/59/16/599365916.db2.gz XDNHWKOUCFDKAY-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000822143875 599367428 /nfs/dbraw/zinc/36/74/28/599367428.db2.gz HUKYXUQHVSIOCD-HNNXBMFYSA-N -1 3 392.485 0.660 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000822143875 599367431 /nfs/dbraw/zinc/36/74/31/599367431.db2.gz HUKYXUQHVSIOCD-HNNXBMFYSA-N -1 3 392.485 0.660 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@H]1CN1CCOCC1 ZINC000823600685 599368153 /nfs/dbraw/zinc/36/81/53/599368153.db2.gz KOBJDGSWOJDQTR-ZDUSSCGKSA-N -1 3 396.448 0.491 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@H]1CN1CCOCC1 ZINC000823600685 599368155 /nfs/dbraw/zinc/36/81/55/599368155.db2.gz KOBJDGSWOJDQTR-ZDUSSCGKSA-N -1 3 396.448 0.491 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000821691976 599370505 /nfs/dbraw/zinc/37/05/05/599370505.db2.gz LKUCUIJWWZHWCA-ZDUSSCGKSA-N -1 3 381.458 0.849 20 0 GCADHM COCCOC[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000821691976 599370507 /nfs/dbraw/zinc/37/05/07/599370507.db2.gz LKUCUIJWWZHWCA-ZDUSSCGKSA-N -1 3 381.458 0.849 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000820678311 599374384 /nfs/dbraw/zinc/37/43/84/599374384.db2.gz UZLVVWMCANMMRJ-DDTOSNHZSA-N -1 3 376.442 0.295 20 0 GCADHM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000820678311 599374385 /nfs/dbraw/zinc/37/43/85/599374385.db2.gz UZLVVWMCANMMRJ-DDTOSNHZSA-N -1 3 376.442 0.295 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@H](n2cncn2)C1 ZINC000823600326 599376158 /nfs/dbraw/zinc/37/61/58/599376158.db2.gz GITIOZXXISPMIV-NSHDSACASA-N -1 3 378.393 0.623 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@H](n2cncn2)C1 ZINC000823600326 599376161 /nfs/dbraw/zinc/37/61/61/599376161.db2.gz GITIOZXXISPMIV-NSHDSACASA-N -1 3 378.393 0.623 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821694570 599382236 /nfs/dbraw/zinc/38/22/36/599382236.db2.gz SKYVKIYOFMZXFA-UHFFFAOYSA-N -1 3 393.429 0.400 20 0 GCADHM COCCc1noc(CN(C)S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821694570 599382239 /nfs/dbraw/zinc/38/22/39/599382239.db2.gz SKYVKIYOFMZXFA-UHFFFAOYSA-N -1 3 393.429 0.400 20 0 GCADHM CC(=O)NC(C)(C)C(N)=NOCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000819802668 599385469 /nfs/dbraw/zinc/38/54/69/599385469.db2.gz HIVVFCVZXMHSGY-UHFFFAOYSA-N -1 3 385.388 0.830 20 0 GCADHM CC(=O)NC(C)(C)C(N)=NOCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819802668 599385472 /nfs/dbraw/zinc/38/54/72/599385472.db2.gz HIVVFCVZXMHSGY-UHFFFAOYSA-N -1 3 385.388 0.830 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cc(-n2cccn2)ccn1 ZINC000738083235 599385764 /nfs/dbraw/zinc/38/57/64/599385764.db2.gz SHUKDQLSAXBWHH-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cc(-n2cccn2)ccn1 ZINC000738083235 599385767 /nfs/dbraw/zinc/38/57/67/599385767.db2.gz SHUKDQLSAXBWHH-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000737924568 599387580 /nfs/dbraw/zinc/38/75/80/599387580.db2.gz IGGQZTSYXXNVRB-AWEZNQCLSA-N -1 3 385.405 0.890 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000737924568 599387583 /nfs/dbraw/zinc/38/75/83/599387583.db2.gz IGGQZTSYXXNVRB-AWEZNQCLSA-N -1 3 385.405 0.890 20 0 GCADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738267767 599389824 /nfs/dbraw/zinc/38/98/24/599389824.db2.gz LWRQJEKWHVKWOW-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCN(c2ccc3nncn3n2)CC1 ZINC000738267767 599389826 /nfs/dbraw/zinc/38/98/26/599389826.db2.gz LWRQJEKWHVKWOW-UHFFFAOYSA-N -1 3 376.384 0.267 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736231458 599390438 /nfs/dbraw/zinc/39/04/38/599390438.db2.gz XCWGOWRACJROSN-GHMZBOCLSA-N -1 3 381.483 0.993 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736231458 599390444 /nfs/dbraw/zinc/39/04/44/599390444.db2.gz XCWGOWRACJROSN-GHMZBOCLSA-N -1 3 381.483 0.993 20 0 GCADHM CS(=O)(=O)Cc1noc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737165099 599393510 /nfs/dbraw/zinc/39/35/10/599393510.db2.gz FJVMTNFQGMNTAV-UHFFFAOYSA-N -1 3 377.386 0.366 20 0 GCADHM CS(=O)(=O)Cc1noc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737165099 599393512 /nfs/dbraw/zinc/39/35/12/599393512.db2.gz FJVMTNFQGMNTAV-UHFFFAOYSA-N -1 3 377.386 0.366 20 0 GCADHM O=C(CN1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1)NC1CC1 ZINC000737884950 599397158 /nfs/dbraw/zinc/39/71/58/599397158.db2.gz YGVYHWCYZJQQFX-UHFFFAOYSA-N -1 3 378.440 0.816 20 0 GCADHM O=C(CN1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1)NC1CC1 ZINC000737884950 599397161 /nfs/dbraw/zinc/39/71/61/599397161.db2.gz YGVYHWCYZJQQFX-UHFFFAOYSA-N -1 3 378.440 0.816 20 0 GCADHM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)C1 ZINC000736226249 599398756 /nfs/dbraw/zinc/39/87/56/599398756.db2.gz WBVCALIQDMVEDI-GASCZTMLSA-N -1 3 384.488 0.888 20 0 GCADHM C[C@@H](CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000820261717 599405456 /nfs/dbraw/zinc/40/54/56/599405456.db2.gz OXCRMRVZTMIXRI-ZDUSSCGKSA-N -1 3 375.433 0.265 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2ccc(-c3nnn[n-]3)o2)CC1 ZINC000819933261 599410215 /nfs/dbraw/zinc/41/02/15/599410215.db2.gz LLHPDLJZNYPHJM-UHFFFAOYSA-N -1 3 391.432 0.629 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)CNCc2ccc(-c3nn[n-]n3)o2)CC1 ZINC000819933261 599410217 /nfs/dbraw/zinc/41/02/17/599410217.db2.gz LLHPDLJZNYPHJM-UHFFFAOYSA-N -1 3 391.432 0.629 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2cc(-c3nnn[n-]3)c3ccccc3n2)CC1 ZINC000738022905 599412763 /nfs/dbraw/zinc/41/27/63/599412763.db2.gz VVPRXMGXHHNSOJ-UHFFFAOYSA-N -1 3 392.423 0.342 20 0 GCADHM O=C(NC1CC1)C(=O)N1CCN(c2cc(-c3nn[n-]n3)c3ccccc3n2)CC1 ZINC000738022905 599412765 /nfs/dbraw/zinc/41/27/65/599412765.db2.gz VVPRXMGXHHNSOJ-UHFFFAOYSA-N -1 3 392.423 0.342 20 0 GCADHM O=C(CCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCCCC1 ZINC000823216072 599413699 /nfs/dbraw/zinc/41/36/99/599413699.db2.gz YFNIBHGZXKNDNU-UHFFFAOYSA-N -1 3 387.444 0.947 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)NCc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822680362 599418104 /nfs/dbraw/zinc/41/81/04/599418104.db2.gz MGKVZQJVTFYKHV-OAHLLOKOSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)NCc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822680362 599418107 /nfs/dbraw/zinc/41/81/07/599418107.db2.gz MGKVZQJVTFYKHV-OAHLLOKOSA-N -1 3 395.427 0.595 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000821692012 599420682 /nfs/dbraw/zinc/42/06/82/599420682.db2.gz MNMNEOJPNOYPQS-ZDUSSCGKSA-N -1 3 390.448 0.368 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000821692012 599420684 /nfs/dbraw/zinc/42/06/84/599420684.db2.gz MNMNEOJPNOYPQS-ZDUSSCGKSA-N -1 3 390.448 0.368 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000822492021 599421369 /nfs/dbraw/zinc/42/13/69/599421369.db2.gz OKNYYPBNQPQMJC-NSHDSACASA-N -1 3 398.475 0.954 20 0 GCADHM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000822492021 599421371 /nfs/dbraw/zinc/42/13/71/599421371.db2.gz OKNYYPBNQPQMJC-NSHDSACASA-N -1 3 398.475 0.954 20 0 GCADHM O=C(CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)NCc1ccco1 ZINC000823002007 599423057 /nfs/dbraw/zinc/42/30/57/599423057.db2.gz RNUGNCWNJAKNCI-UHFFFAOYSA-N -1 3 385.384 0.454 20 0 GCADHM CCN(CCCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F)S(C)(=O)=O ZINC000821207664 599423433 /nfs/dbraw/zinc/42/34/33/599423433.db2.gz RQQGENLIRABGFA-UHFFFAOYSA-N -1 3 399.452 0.477 20 0 GCADHM CCN(CCCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F)S(C)(=O)=O ZINC000821207664 599423435 /nfs/dbraw/zinc/42/34/35/599423435.db2.gz RQQGENLIRABGFA-UHFFFAOYSA-N -1 3 399.452 0.477 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820875457 599423485 /nfs/dbraw/zinc/42/34/85/599423485.db2.gz AMJRULTZJOQMIK-GFCCVEGCSA-N -1 3 375.433 0.850 20 0 GCADHM C[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccco1 ZINC000820366366 599430382 /nfs/dbraw/zinc/43/03/82/599430382.db2.gz NTIMJUJDLATGSZ-GFCCVEGCSA-N -1 3 399.411 0.843 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820137673 599435220 /nfs/dbraw/zinc/43/52/20/599435220.db2.gz NNRCJDBHOLAAMR-NSHDSACASA-N -1 3 381.462 0.555 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820137673 599435222 /nfs/dbraw/zinc/43/52/22/599435222.db2.gz NNRCJDBHOLAAMR-NSHDSACASA-N -1 3 381.462 0.555 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821441756 599437083 /nfs/dbraw/zinc/43/70/83/599437083.db2.gz NWHNCUFXZIOKRK-UHFFFAOYSA-N -1 3 385.425 0.134 20 0 GCADHM CCS(=O)(=O)NCCCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821441756 599437085 /nfs/dbraw/zinc/43/70/85/599437085.db2.gz NWHNCUFXZIOKRK-UHFFFAOYSA-N -1 3 385.425 0.134 20 0 GCADHM O=C(NCCCN1C(=O)CCC1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823187701 599437318 /nfs/dbraw/zinc/43/73/18/599437318.db2.gz OBYOCNWTMSVKAD-UHFFFAOYSA-N -1 3 387.400 0.084 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736229981 599447788 /nfs/dbraw/zinc/44/77/88/599447788.db2.gz QBLOTVSRVWRRFW-ZJUUUORDSA-N -1 3 384.487 0.764 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000736229981 599447789 /nfs/dbraw/zinc/44/77/89/599447789.db2.gz QBLOTVSRVWRRFW-ZJUUUORDSA-N -1 3 384.487 0.764 20 0 GCADHM Cn1cc([C@@H](O)CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822670004 599449042 /nfs/dbraw/zinc/44/90/42/599449042.db2.gz XWHPMVHXFPDFEF-HOTGVXAUSA-N -1 3 382.428 0.419 20 0 GCADHM O=S(=O)(NCCNc1ncccn1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738340359 599450426 /nfs/dbraw/zinc/45/04/26/599450426.db2.gz ZRQQGNPEARWTSH-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=S(=O)(NCCNc1ncccn1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738340359 599450427 /nfs/dbraw/zinc/45/04/27/599450427.db2.gz ZRQQGNPEARWTSH-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NC[C@@H](O)C1CCOCC1 ZINC000823210980 599452689 /nfs/dbraw/zinc/45/26/89/599452689.db2.gz JFHRRINROKEDIK-OAHLLOKOSA-N -1 3 376.417 0.332 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000821636696 599463509 /nfs/dbraw/zinc/46/35/09/599463509.db2.gz ZCUVOVYBNLZASW-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000821636696 599463512 /nfs/dbraw/zinc/46/35/12/599463512.db2.gz ZCUVOVYBNLZASW-LBPRGKRZSA-N -1 3 397.436 0.229 20 0 GCADHM O=C1NC(=O)[C@]2(CCN(C(=S)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C2)N1 ZINC000738315564 599464642 /nfs/dbraw/zinc/46/46/42/599464642.db2.gz KNYRVFFUUMUDTA-CQSZACIVSA-N -1 3 392.832 0.501 20 0 GCADHM O=C1NC(=O)[C@]2(CCN(C(=S)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C2)N1 ZINC000738315564 599464645 /nfs/dbraw/zinc/46/46/45/599464645.db2.gz KNYRVFFUUMUDTA-CQSZACIVSA-N -1 3 392.832 0.501 20 0 GCADHM CC[C@H]1CN(CCn2cccn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736411225 599470845 /nfs/dbraw/zinc/47/08/45/599470845.db2.gz PPJHKNUFRZGWCU-HNNXBMFYSA-N -1 3 381.444 0.695 20 0 GCADHM CC[C@H]1CN(CCn2cccn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736411225 599470849 /nfs/dbraw/zinc/47/08/49/599470849.db2.gz PPJHKNUFRZGWCU-HNNXBMFYSA-N -1 3 381.444 0.695 20 0 GCADHM CCOC(=O)N[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821335086 599479440 /nfs/dbraw/zinc/47/94/40/599479440.db2.gz XQOUNRGZRZPBLO-SNVBAGLBSA-N -1 3 395.445 0.229 20 0 GCADHM CCOC(=O)N[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821335086 599479443 /nfs/dbraw/zinc/47/94/43/599479443.db2.gz XQOUNRGZRZPBLO-SNVBAGLBSA-N -1 3 395.445 0.229 20 0 GCADHM CCN(CCCNc1c(-c2nnn[n-]2)cnc2ccccc21)S(C)(=O)=O ZINC000821207293 599487035 /nfs/dbraw/zinc/48/70/35/599487035.db2.gz KIJGNYVXDTWGQY-UHFFFAOYSA-N -1 3 375.458 0.920 20 0 GCADHM CCN(CCCNc1c(-c2nn[n-]n2)cnc2ccccc21)S(C)(=O)=O ZINC000821207293 599487036 /nfs/dbraw/zinc/48/70/36/599487036.db2.gz KIJGNYVXDTWGQY-UHFFFAOYSA-N -1 3 375.458 0.920 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736222041 599492602 /nfs/dbraw/zinc/49/26/02/599492602.db2.gz AEZLRFDOZROFOA-PYCNNQBISA-N -1 3 378.462 0.225 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736222041 599492604 /nfs/dbraw/zinc/49/26/04/599492604.db2.gz AEZLRFDOZROFOA-PYCNNQBISA-N -1 3 378.462 0.225 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736222047 599492773 /nfs/dbraw/zinc/49/27/73/599492773.db2.gz AEZLRFDOZROFOA-FEEKEVSISA-N -1 3 378.462 0.225 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736222047 599492775 /nfs/dbraw/zinc/49/27/75/599492775.db2.gz AEZLRFDOZROFOA-FEEKEVSISA-N -1 3 378.462 0.225 20 0 GCADHM Cc1cccn2cc(CNC(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)nc12 ZINC000737433412 599495260 /nfs/dbraw/zinc/49/52/60/599495260.db2.gz FBVXBONUZFFFQL-UHFFFAOYSA-N -1 3 390.407 0.869 20 0 GCADHM Cc1cccn2cc(CNC(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)nc12 ZINC000737433412 599495263 /nfs/dbraw/zinc/49/52/63/599495263.db2.gz FBVXBONUZFFFQL-UHFFFAOYSA-N -1 3 390.407 0.869 20 0 GCADHM O=S(=O)(Cc1cscn1)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000738328018 599500495 /nfs/dbraw/zinc/50/04/95/599500495.db2.gz BDNHRHLBQPPYIO-GFCCVEGCSA-N -1 3 381.439 0.678 20 0 GCADHM C[C@@H](NC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820321889 599503111 /nfs/dbraw/zinc/50/31/11/599503111.db2.gz NODLPWXGHMOYAX-SKVAFPRGSA-N -1 3 381.396 0.155 20 0 GCADHM C[C@@H](NC(=O)C=Cc1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820321889 599503112 /nfs/dbraw/zinc/50/31/12/599503112.db2.gz NODLPWXGHMOYAX-SKVAFPRGSA-N -1 3 381.396 0.155 20 0 GCADHM CS(=O)(=O)N1CCC(CNc2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000821932738 599508127 /nfs/dbraw/zinc/50/81/27/599508127.db2.gz QGWUXWRQJKBWOG-UHFFFAOYSA-N -1 3 387.469 0.920 20 0 GCADHM CS(=O)(=O)N1CCC(CNc2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000821932738 599508129 /nfs/dbraw/zinc/50/81/29/599508129.db2.gz QGWUXWRQJKBWOG-UHFFFAOYSA-N -1 3 387.469 0.920 20 0 GCADHM Cn1ccnc(N2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)c1=O ZINC000822694144 599509460 /nfs/dbraw/zinc/50/94/60/599509460.db2.gz WUKZAUXQFVOJDG-UHFFFAOYSA-N -1 3 389.423 0.835 20 0 GCADHM Cn1ccnc(N2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)c1=O ZINC000822694144 599509463 /nfs/dbraw/zinc/50/94/63/599509463.db2.gz WUKZAUXQFVOJDG-UHFFFAOYSA-N -1 3 389.423 0.835 20 0 GCADHM Cn1ccc(NC(=O)C(=O)N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737610986 599509813 /nfs/dbraw/zinc/50/98/13/599509813.db2.gz CJJIYKSNXJWODU-UHFFFAOYSA-N -1 3 396.411 0.609 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1ccc(Cl)nc1 ZINC000738077612 599509861 /nfs/dbraw/zinc/50/98/61/599509861.db2.gz HEFONQCTKVHTIA-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1ccc(Cl)nc1 ZINC000738077612 599509864 /nfs/dbraw/zinc/50/98/64/599509864.db2.gz HEFONQCTKVHTIA-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM COCCOCCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737006961 599510796 /nfs/dbraw/zinc/51/07/96/599510796.db2.gz WCEUWDWQEXXJTD-UHFFFAOYSA-N -1 3 382.808 0.628 20 0 GCADHM COCCOCCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737006961 599510799 /nfs/dbraw/zinc/51/07/99/599510799.db2.gz WCEUWDWQEXXJTD-UHFFFAOYSA-N -1 3 382.808 0.628 20 0 GCADHM COC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736918459 599511053 /nfs/dbraw/zinc/51/10/53/599511053.db2.gz CIVWSWSPDGWELD-UHFFFAOYSA-N -1 3 384.299 0.086 20 0 GCADHM COC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736918459 599511055 /nfs/dbraw/zinc/51/10/55/599511055.db2.gz CIVWSWSPDGWELD-UHFFFAOYSA-N -1 3 384.299 0.086 20 0 GCADHM COc1cc(CCNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)ccc1O ZINC000737044849 599511785 /nfs/dbraw/zinc/51/17/85/599511785.db2.gz UJCSCBOZDIVFHO-UHFFFAOYSA-N -1 3 382.380 0.878 20 0 GCADHM COc1cc(CCNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)ccc1O ZINC000737044849 599511789 /nfs/dbraw/zinc/51/17/89/599511789.db2.gz UJCSCBOZDIVFHO-UHFFFAOYSA-N -1 3 382.380 0.878 20 0 GCADHM Cc1nnc(N[C@@H]2CCCN(c3nccn(C)c3=O)C2)c(-c2nnn[n-]2)c1C ZINC000822516089 599512029 /nfs/dbraw/zinc/51/20/29/599512029.db2.gz UTAQTMMPFNXSPL-GFCCVEGCSA-N -1 3 382.432 0.448 20 0 GCADHM Cc1nnc(N[C@@H]2CCCN(c3nccn(C)c3=O)C2)c(-c2nn[n-]n2)c1C ZINC000822516089 599512031 /nfs/dbraw/zinc/51/20/31/599512031.db2.gz UTAQTMMPFNXSPL-GFCCVEGCSA-N -1 3 382.432 0.448 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1ccccc1O ZINC000737059197 599512266 /nfs/dbraw/zinc/51/22/66/599512266.db2.gz RQLNGAHAYUGPOB-UHFFFAOYSA-N -1 3 382.380 0.878 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCO[C@@H](c3nccs3)C2)c(-c2nnn[n-]2)c1 ZINC000822895804 599512798 /nfs/dbraw/zinc/51/27/98/599512798.db2.gz YBZVEPPYEMPOBU-GFCCVEGCSA-N -1 3 393.454 0.549 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCO[C@@H](c3nccs3)C2)c(-c2nn[n-]n2)c1 ZINC000822895804 599512801 /nfs/dbraw/zinc/51/28/01/599512801.db2.gz YBZVEPPYEMPOBU-GFCCVEGCSA-N -1 3 393.454 0.549 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCc2nccn2C1 ZINC000737060081 599513866 /nfs/dbraw/zinc/51/38/66/599513866.db2.gz ZRNYBVSQSFPRPL-LLVKDONJSA-N -1 3 382.384 0.142 20 0 GCADHM O=C(NCc1n[nH]cc1Br)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738094147 599514672 /nfs/dbraw/zinc/51/46/72/599514672.db2.gz BYXXZINVHMRDRV-UHFFFAOYSA-N -1 3 391.189 0.607 20 0 GCADHM O=C(NCc1n[nH]cc1Br)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738094903 599514733 /nfs/dbraw/zinc/51/47/33/599514733.db2.gz OSGPGBWZZZACGY-UHFFFAOYSA-N -1 3 391.189 0.607 20 0 GCADHM O=C(NCc1n[nH]cc1Br)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738094903 599514734 /nfs/dbraw/zinc/51/47/34/599514734.db2.gz OSGPGBWZZZACGY-UHFFFAOYSA-N -1 3 391.189 0.607 20 0 GCADHM CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735644162 599515034 /nfs/dbraw/zinc/51/50/34/599515034.db2.gz XMCTWAFDXVPJQQ-UHFFFAOYSA-N -1 3 380.430 0.135 20 0 GCADHM CC(C)(C)S(=O)(=O)CCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735644162 599515036 /nfs/dbraw/zinc/51/50/36/599515036.db2.gz XMCTWAFDXVPJQQ-UHFFFAOYSA-N -1 3 380.430 0.135 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736224825 599516176 /nfs/dbraw/zinc/51/61/76/599516176.db2.gz NRDBZGXZQQISNM-IBZIYZMPSA-N -1 3 380.405 0.312 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736224825 599516179 /nfs/dbraw/zinc/51/61/79/599516179.db2.gz NRDBZGXZQQISNM-IBZIYZMPSA-N -1 3 380.405 0.312 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000737055905 599516411 /nfs/dbraw/zinc/51/64/11/599516411.db2.gz JDIJCZGJVPELEH-AKBPEFJISA-N -1 3 392.441 0.182 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000737055905 599516413 /nfs/dbraw/zinc/51/64/13/599516413.db2.gz JDIJCZGJVPELEH-AKBPEFJISA-N -1 3 392.441 0.182 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000737055911 599516692 /nfs/dbraw/zinc/51/66/92/599516692.db2.gz JDIJCZGJVPELEH-RPIAUOFESA-N -1 3 392.441 0.182 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000737055911 599516694 /nfs/dbraw/zinc/51/66/94/599516694.db2.gz JDIJCZGJVPELEH-RPIAUOFESA-N -1 3 392.441 0.182 20 0 GCADHM COc1ccc(COCCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737098686 599516705 /nfs/dbraw/zinc/51/67/05/599516705.db2.gz XTAXXWBEBFGSDJ-UHFFFAOYSA-N -1 3 387.400 0.804 20 0 GCADHM COc1ccc(COCCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737098686 599516707 /nfs/dbraw/zinc/51/67/07/599516707.db2.gz XTAXXWBEBFGSDJ-UHFFFAOYSA-N -1 3 387.400 0.804 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000737287099 599517089 /nfs/dbraw/zinc/51/70/89/599517089.db2.gz BRAMSTDTLWYBPZ-FEEKEVSISA-N -1 3 376.442 0.482 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000737287099 599517091 /nfs/dbraw/zinc/51/70/91/599517091.db2.gz BRAMSTDTLWYBPZ-FEEKEVSISA-N -1 3 376.442 0.482 20 0 GCADHM NS(=O)(=O)c1ccc(NCC(=O)N2CCc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000822899274 599517432 /nfs/dbraw/zinc/51/74/32/599517432.db2.gz FMXHAGONDLJOSF-UHFFFAOYSA-N -1 3 399.436 0.515 20 0 GCADHM NS(=O)(=O)c1ccc(NCC(=O)N2CCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000822899274 599517435 /nfs/dbraw/zinc/51/74/35/599517435.db2.gz FMXHAGONDLJOSF-UHFFFAOYSA-N -1 3 399.436 0.515 20 0 GCADHM NC(=O)c1cccc(CCNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)c1 ZINC000822889816 599519922 /nfs/dbraw/zinc/51/99/22/599519922.db2.gz FXNLDKAPUBRXND-UHFFFAOYSA-N -1 3 387.425 0.268 20 0 GCADHM NC(=O)c1cccc(CCNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)c1 ZINC000822889816 599519924 /nfs/dbraw/zinc/51/99/24/599519924.db2.gz FXNLDKAPUBRXND-UHFFFAOYSA-N -1 3 387.425 0.268 20 0 GCADHM CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)Cc2ccccc21 ZINC000821628339 599521818 /nfs/dbraw/zinc/52/18/18/599521818.db2.gz GSJIFRPRPZXPNH-UHFFFAOYSA-N -1 3 385.453 0.971 20 0 GCADHM CN1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)Cc2ccccc21 ZINC000821628339 599521820 /nfs/dbraw/zinc/52/18/20/599521820.db2.gz GSJIFRPRPZXPNH-UHFFFAOYSA-N -1 3 385.453 0.971 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820321375 599525297 /nfs/dbraw/zinc/52/52/97/599525297.db2.gz DNFVJVHGAYZWGL-SMDDNHRTSA-N -1 3 378.458 0.858 20 0 GCADHM C[C@H](NC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820321375 599525300 /nfs/dbraw/zinc/52/53/00/599525300.db2.gz DNFVJVHGAYZWGL-SMDDNHRTSA-N -1 3 378.458 0.858 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820321374 599525416 /nfs/dbraw/zinc/52/54/16/599525416.db2.gz DNFVJVHGAYZWGL-RISCZKNCSA-N -1 3 378.458 0.858 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820321374 599525418 /nfs/dbraw/zinc/52/54/18/599525418.db2.gz DNFVJVHGAYZWGL-RISCZKNCSA-N -1 3 378.458 0.858 20 0 GCADHM C[C@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)c1cccc(-c2nn[n-]n2)c1 ZINC000820327673 599538719 /nfs/dbraw/zinc/53/87/19/599538719.db2.gz IERXPVOFYFJUTB-VIFPVBQESA-N -1 3 380.372 0.845 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000822010074 599542476 /nfs/dbraw/zinc/54/24/76/599542476.db2.gz MBKGSSWHCZBPMU-JTQLQIEISA-N -1 3 378.396 0.931 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000822010074 599542477 /nfs/dbraw/zinc/54/24/77/599542477.db2.gz MBKGSSWHCZBPMU-JTQLQIEISA-N -1 3 378.396 0.931 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000819796463 599543999 /nfs/dbraw/zinc/54/39/99/599543999.db2.gz JEHGUPFBNMTUJE-UHFFFAOYSA-N -1 3 394.439 0.330 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000819796463 599544001 /nfs/dbraw/zinc/54/40/01/599544001.db2.gz JEHGUPFBNMTUJE-UHFFFAOYSA-N -1 3 394.439 0.330 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821575475 599559186 /nfs/dbraw/zinc/55/91/86/599559186.db2.gz CWCNYLDVXGMMDX-MNOVXSKESA-N -1 3 393.473 0.573 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821575475 599559188 /nfs/dbraw/zinc/55/91/88/599559188.db2.gz CWCNYLDVXGMMDX-MNOVXSKESA-N -1 3 393.473 0.573 20 0 GCADHM CN(C)C(=O)N1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000821578118 599559800 /nfs/dbraw/zinc/55/98/00/599559800.db2.gz OIKXQWYDJQTVAK-UHFFFAOYSA-N -1 3 383.416 0.716 20 0 GCADHM CN(C)C(=O)N1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000821578118 599559801 /nfs/dbraw/zinc/55/98/01/599559801.db2.gz OIKXQWYDJQTVAK-UHFFFAOYSA-N -1 3 383.416 0.716 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2cccc(-n3cncn3)c2)c(-c2nnn[n-]2)c1 ZINC000822899894 599563485 /nfs/dbraw/zinc/56/34/85/599563485.db2.gz XPEUZMGSQODCEX-UHFFFAOYSA-N -1 3 397.424 0.707 20 0 GCADHM NS(=O)(=O)c1ccc(NCc2cccc(-n3cncn3)c2)c(-c2nn[n-]n2)c1 ZINC000822899894 599563486 /nfs/dbraw/zinc/56/34/86/599563486.db2.gz XPEUZMGSQODCEX-UHFFFAOYSA-N -1 3 397.424 0.707 20 0 GCADHM CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1=O ZINC000735875537 599566124 /nfs/dbraw/zinc/56/61/24/599566124.db2.gz OJICBAKSNLCLCO-SNVBAGLBSA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1=O ZINC000735875537 599566126 /nfs/dbraw/zinc/56/61/26/599566126.db2.gz OJICBAKSNLCLCO-SNVBAGLBSA-N -1 3 391.819 0.584 20 0 GCADHM NC(=O)[C@@H]1CN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CCO1 ZINC000737744486 599568031 /nfs/dbraw/zinc/56/80/31/599568031.db2.gz LAZXOGLDBIFGHI-INIZCTEOSA-N -1 3 393.407 0.937 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN(CCO)CC1 ZINC000735551259 599569302 /nfs/dbraw/zinc/56/93/02/599569302.db2.gz PZPNAMIBAUMOHO-LLVKDONJSA-N -1 3 379.852 0.457 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN(CCO)CC1 ZINC000735551259 599569306 /nfs/dbraw/zinc/56/93/06/599569306.db2.gz PZPNAMIBAUMOHO-LLVKDONJSA-N -1 3 379.852 0.457 20 0 GCADHM C[C@H]1CN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736279906 599571364 /nfs/dbraw/zinc/57/13/64/599571364.db2.gz LNUPMTGOJJTMPS-SWLSCSKDSA-N -1 3 390.469 0.481 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCS1(=O)=O ZINC000736279329 599571544 /nfs/dbraw/zinc/57/15/44/599571544.db2.gz JHZHPOQWHNEFEP-QMMMGPOBSA-N -1 3 398.832 0.104 20 0 GCADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCS1(=O)=O ZINC000736279329 599571545 /nfs/dbraw/zinc/57/15/45/599571545.db2.gz JHZHPOQWHNEFEP-QMMMGPOBSA-N -1 3 398.832 0.104 20 0 GCADHM C[C@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736279908 599571706 /nfs/dbraw/zinc/57/17/06/599571706.db2.gz LNUPMTGOJJTMPS-WFASDCNBSA-N -1 3 390.469 0.481 20 0 GCADHM C[C@@H]1CN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCS1(=O)=O ZINC000820759005 599575803 /nfs/dbraw/zinc/57/58/03/599575803.db2.gz GUAWKVLOFQKMCC-SNVBAGLBSA-N -1 3 375.414 0.536 20 0 GCADHM C[C@@H]1CN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCS1(=O)=O ZINC000820759005 599575806 /nfs/dbraw/zinc/57/58/06/599575806.db2.gz GUAWKVLOFQKMCC-SNVBAGLBSA-N -1 3 375.414 0.536 20 0 GCADHM C[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CCCO1 ZINC000736288094 599578372 /nfs/dbraw/zinc/57/83/72/599578372.db2.gz QPPVLAOVKZVIHD-ZDUSSCGKSA-N -1 3 385.428 0.699 20 0 GCADHM c1cn(CN2CCO[C@@H](Cn3cncn3)C2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000738448969 599582534 /nfs/dbraw/zinc/58/25/34/599582534.db2.gz CCCPOCOYMFEJQW-MRXNPFEDSA-N -1 3 392.427 0.680 20 0 GCADHM c1cn(CN2CCO[C@@H](Cn3cncn3)C2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000738448969 599582536 /nfs/dbraw/zinc/58/25/36/599582536.db2.gz CCCPOCOYMFEJQW-MRXNPFEDSA-N -1 3 392.427 0.680 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCS(=O)(=O)[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737550715 599586446 /nfs/dbraw/zinc/58/64/46/599586446.db2.gz BWCGQIQLJRCMGI-SCZZXKLOSA-N -1 3 382.446 0.522 20 0 GCADHM O=C(CN1CCNC(=O)[C@@H]1c1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737883584 599588164 /nfs/dbraw/zinc/58/81/64/599588164.db2.gz QZOYTRJHVVUBGV-KRWDZBQOSA-N -1 3 377.408 0.978 20 0 GCADHM O=C(CN1CCNC(=O)[C@@H]1c1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737883584 599588167 /nfs/dbraw/zinc/58/81/67/599588167.db2.gz QZOYTRJHVVUBGV-KRWDZBQOSA-N -1 3 377.408 0.978 20 0 GCADHM CN(CC(=O)NCc1ccccc1)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736782481 599591212 /nfs/dbraw/zinc/59/12/12/599591212.db2.gz AANGOFWPFAOWIX-UHFFFAOYSA-N -1 3 393.451 0.731 20 0 GCADHM CN(CC(=O)NCc1ccccc1)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736782481 599591215 /nfs/dbraw/zinc/59/12/15/599591215.db2.gz AANGOFWPFAOWIX-UHFFFAOYSA-N -1 3 393.451 0.731 20 0 GCADHM COC(=O)CN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000821662873 599592204 /nfs/dbraw/zinc/59/22/04/599592204.db2.gz XCICCGMWTLIENG-HNNXBMFYSA-N -1 3 391.428 0.260 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000826251034 607385637 /nfs/dbraw/zinc/38/56/37/607385637.db2.gz CETDJMQHULOXAK-YPMHNXCESA-N -1 3 386.412 0.444 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000826251034 607385639 /nfs/dbraw/zinc/38/56/39/607385639.db2.gz CETDJMQHULOXAK-YPMHNXCESA-N -1 3 386.412 0.444 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000735942264 599595173 /nfs/dbraw/zinc/59/51/73/599595173.db2.gz HAANFFQPMCTYIN-GFCCVEGCSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000735942264 599595175 /nfs/dbraw/zinc/59/51/75/599595175.db2.gz HAANFFQPMCTYIN-GFCCVEGCSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000735942064 599595574 /nfs/dbraw/zinc/59/55/74/599595574.db2.gz CEVOVUCMQHHLPD-GFCCVEGCSA-N -1 3 388.457 0.875 20 0 GCADHM CC(C)c1nc2n(n1)C[C@H](NS(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000735942064 599595575 /nfs/dbraw/zinc/59/55/75/599595575.db2.gz CEVOVUCMQHHLPD-GFCCVEGCSA-N -1 3 388.457 0.875 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)CN1CCOCC1 ZINC000736027120 599596748 /nfs/dbraw/zinc/59/67/48/599596748.db2.gz XTCKZIPXDMALBX-LLVKDONJSA-N -1 3 384.437 0.252 20 0 GCADHM C[C@H](CNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)CN1CCOCC1 ZINC000736027120 599596749 /nfs/dbraw/zinc/59/67/49/599596749.db2.gz XTCKZIPXDMALBX-LLVKDONJSA-N -1 3 384.437 0.252 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737747690 599597851 /nfs/dbraw/zinc/59/78/51/599597851.db2.gz WHKFCEIQFODBGN-DTWKUNHWSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737747690 599597852 /nfs/dbraw/zinc/59/78/52/599597852.db2.gz WHKFCEIQFODBGN-DTWKUNHWSA-N -1 3 384.849 0.843 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)c1-c1nnn[n-]1 ZINC000822319115 599598184 /nfs/dbraw/zinc/59/81/84/599598184.db2.gz JCODXHJIFCDZOF-GFCCVEGCSA-N -1 3 384.396 0.674 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H](CO)Cc2ccco2)c1-c1nn[n-]n1 ZINC000822319115 599598186 /nfs/dbraw/zinc/59/81/86/599598186.db2.gz JCODXHJIFCDZOF-GFCCVEGCSA-N -1 3 384.396 0.674 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)c1-c1nnn[n-]1 ZINC000822319111 599598279 /nfs/dbraw/zinc/59/82/79/599598279.db2.gz IVYWKZFRWQZWJB-UHFFFAOYSA-N -1 3 394.395 0.055 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)c1-c1nn[n-]n1 ZINC000822319111 599598281 /nfs/dbraw/zinc/59/82/81/599598281.db2.gz IVYWKZFRWQZWJB-UHFFFAOYSA-N -1 3 394.395 0.055 20 0 GCADHM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821632662 599601142 /nfs/dbraw/zinc/60/11/42/599601142.db2.gz CJGOSYDPFVGHPK-UHFFFAOYSA-N -1 3 385.306 0.028 20 0 GCADHM CNC(=O)CN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821632662 599601143 /nfs/dbraw/zinc/60/11/43/599601143.db2.gz CJGOSYDPFVGHPK-UHFFFAOYSA-N -1 3 385.306 0.028 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000737001993 599602574 /nfs/dbraw/zinc/60/25/74/599602574.db2.gz IROUXHBJKYHFDO-HNNXBMFYSA-N -1 3 387.444 0.646 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000737001993 599602575 /nfs/dbraw/zinc/60/25/75/599602575.db2.gz IROUXHBJKYHFDO-HNNXBMFYSA-N -1 3 387.444 0.646 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000737001994 599602643 /nfs/dbraw/zinc/60/26/43/599602643.db2.gz IROUXHBJKYHFDO-OAHLLOKOSA-N -1 3 387.444 0.646 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000737001994 599602645 /nfs/dbraw/zinc/60/26/45/599602645.db2.gz IROUXHBJKYHFDO-OAHLLOKOSA-N -1 3 387.444 0.646 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC(=O)NC2CCCCC2)c1-c1nnn[n-]1 ZINC000822313274 599602713 /nfs/dbraw/zinc/60/27/13/599602713.db2.gz LLTWNQJMHCZLDL-UHFFFAOYSA-N -1 3 385.428 0.679 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC(=O)NC2CCCCC2)c1-c1nn[n-]n1 ZINC000822313274 599602715 /nfs/dbraw/zinc/60/27/15/599602715.db2.gz LLTWNQJMHCZLDL-UHFFFAOYSA-N -1 3 385.428 0.679 20 0 GCADHM CC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000819788622 599603658 /nfs/dbraw/zinc/60/36/58/599603658.db2.gz FODUJGWFYHPYSD-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000819788622 599603659 /nfs/dbraw/zinc/60/36/59/599603659.db2.gz FODUJGWFYHPYSD-UHFFFAOYSA-N -1 3 385.428 0.488 20 0 GCADHM CC(=O)NC1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000819803913 599603685 /nfs/dbraw/zinc/60/36/85/599603685.db2.gz RLCSJKXRJHUHPK-UHFFFAOYSA-N -1 3 385.428 0.677 20 0 GCADHM CC(=O)NC1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000819803913 599603686 /nfs/dbraw/zinc/60/36/86/599603686.db2.gz RLCSJKXRJHUHPK-UHFFFAOYSA-N -1 3 385.428 0.677 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000821655257 599604203 /nfs/dbraw/zinc/60/42/03/599604203.db2.gz IIRMXHDBVHODLP-UHFFFAOYSA-N -1 3 386.412 0.962 20 0 GCADHM COC(=O)C1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000821655257 599604204 /nfs/dbraw/zinc/60/42/04/599604204.db2.gz IIRMXHDBVHODLP-UHFFFAOYSA-N -1 3 386.412 0.962 20 0 GCADHM NS(=O)(=O)CCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737766695 599604304 /nfs/dbraw/zinc/60/43/04/599604304.db2.gz UTJCEUMUTUOAJT-UHFFFAOYSA-N -1 3 387.425 0.629 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c1-c1nnn[n-]1 ZINC000822313990 599604707 /nfs/dbraw/zinc/60/47/07/599604707.db2.gz QQGYGYXLGNJRLK-ZDUSSCGKSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c1-c1nn[n-]n1 ZINC000822313990 599604709 /nfs/dbraw/zinc/60/47/09/599604709.db2.gz QQGYGYXLGNJRLK-ZDUSSCGKSA-N -1 3 399.455 0.877 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821441008 599605211 /nfs/dbraw/zinc/60/52/11/599605211.db2.gz HBZMDWRLXSALHI-SNVBAGLBSA-N -1 3 380.430 0.053 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821441008 599605213 /nfs/dbraw/zinc/60/52/13/599605213.db2.gz HBZMDWRLXSALHI-SNVBAGLBSA-N -1 3 380.430 0.053 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821441007 599605353 /nfs/dbraw/zinc/60/53/53/599605353.db2.gz HBZMDWRLXSALHI-JTQLQIEISA-N -1 3 380.430 0.053 20 0 GCADHM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821441007 599605354 /nfs/dbraw/zinc/60/53/54/599605354.db2.gz HBZMDWRLXSALHI-JTQLQIEISA-N -1 3 380.430 0.053 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1-c1nnn[n-]1 ZINC000822314002 599605565 /nfs/dbraw/zinc/60/55/65/599605565.db2.gz QTYMFINAKNLFIU-CHWSQXEVSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c1-c1nn[n-]n1 ZINC000822314002 599605567 /nfs/dbraw/zinc/60/55/67/599605567.db2.gz QTYMFINAKNLFIU-CHWSQXEVSA-N -1 3 399.455 0.877 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)c1 ZINC000821863888 599605682 /nfs/dbraw/zinc/60/56/82/599605682.db2.gz QERMRAAFXWJHSA-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)c1 ZINC000821863888 599605683 /nfs/dbraw/zinc/60/56/83/599605683.db2.gz QERMRAAFXWJHSA-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCN2CCSCC2)c1-c1nnn[n-]1 ZINC000822319651 599606157 /nfs/dbraw/zinc/60/61/57/599606157.db2.gz VZLNCCSBPKWXLD-UHFFFAOYSA-N -1 3 375.458 0.279 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCN2CCSCC2)c1-c1nn[n-]n1 ZINC000822319651 599606158 /nfs/dbraw/zinc/60/61/58/599606158.db2.gz VZLNCCSBPKWXLD-UHFFFAOYSA-N -1 3 375.458 0.279 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)N[C@H](CO)C1CC1 ZINC000823303708 599606282 /nfs/dbraw/zinc/60/62/82/599606282.db2.gz RTWNJVXCNNRCMN-LLVKDONJSA-N -1 3 384.318 0.711 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)N[C@H](CO)C1CC1 ZINC000823303708 599606283 /nfs/dbraw/zinc/60/62/83/599606283.db2.gz RTWNJVXCNNRCMN-LLVKDONJSA-N -1 3 384.318 0.711 20 0 GCADHM CC(C)(C)OC(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819927975 599607823 /nfs/dbraw/zinc/60/78/23/599607823.db2.gz DWFYJMNQACXDPL-UHFFFAOYSA-N -1 3 378.364 0.792 20 0 GCADHM CC(C)(C)OC(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819927975 599607825 /nfs/dbraw/zinc/60/78/25/599607825.db2.gz DWFYJMNQACXDPL-UHFFFAOYSA-N -1 3 378.364 0.792 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)c1-c1nnn[n-]1 ZINC000822319685 599608035 /nfs/dbraw/zinc/60/80/35/599608035.db2.gz WWVSTUPPJKDAHM-UHFFFAOYSA-N -1 3 392.419 0.760 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)c1-c1nn[n-]n1 ZINC000822319685 599608038 /nfs/dbraw/zinc/60/80/38/599608038.db2.gz WWVSTUPPJKDAHM-UHFFFAOYSA-N -1 3 392.419 0.760 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCOC[C@@H]2CCOC2)c1-c1nnn[n-]1 ZINC000822318913 599609155 /nfs/dbraw/zinc/60/91/55/599609155.db2.gz BGUBGLCNTWLITP-ZDUSSCGKSA-N -1 3 388.428 0.673 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NCCCOC[C@@H]2CCOC2)c1-c1nn[n-]n1 ZINC000822318913 599609156 /nfs/dbraw/zinc/60/91/56/599609156.db2.gz BGUBGLCNTWLITP-ZDUSSCGKSA-N -1 3 388.428 0.673 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@@H](COC)C1 ZINC000821399724 599610038 /nfs/dbraw/zinc/61/00/38/599610038.db2.gz AHIDGKCXEVUXNX-GFCCVEGCSA-N -1 3 390.400 0.078 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@@H](COC)C1 ZINC000821399724 599610039 /nfs/dbraw/zinc/61/00/39/599610039.db2.gz AHIDGKCXEVUXNX-GFCCVEGCSA-N -1 3 390.400 0.078 20 0 GCADHM CN(C(=O)NCCSCc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C)C1=O ZINC000736850818 599611317 /nfs/dbraw/zinc/61/13/17/599611317.db2.gz CEHSEZSCGUHZCE-AWEZNQCLSA-N -1 3 389.485 0.972 20 0 GCADHM CN(C(=O)NCCSCc1ccccc1-c1nn[n-]n1)[C@H]1CCN(C)C1=O ZINC000736850818 599611318 /nfs/dbraw/zinc/61/13/18/599611318.db2.gz CEHSEZSCGUHZCE-AWEZNQCLSA-N -1 3 389.485 0.972 20 0 GCADHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822492036 599611929 /nfs/dbraw/zinc/61/19/29/599611929.db2.gz PADPGYTYGWYYRK-SNVBAGLBSA-N -1 3 382.428 0.903 20 0 GCADHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822492036 599611931 /nfs/dbraw/zinc/61/19/31/599611931.db2.gz PADPGYTYGWYYRK-SNVBAGLBSA-N -1 3 382.428 0.903 20 0 GCADHM CSC1(CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000821951271 599613170 /nfs/dbraw/zinc/61/31/70/599613170.db2.gz VUKWUXFNEIJVIZ-UHFFFAOYSA-N -1 3 376.442 0.834 20 0 GCADHM CSC1(CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000821951271 599613173 /nfs/dbraw/zinc/61/31/73/599613173.db2.gz VUKWUXFNEIJVIZ-UHFFFAOYSA-N -1 3 376.442 0.834 20 0 GCADHM Cn1nccc1C1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000737629015 599613560 /nfs/dbraw/zinc/61/35/60/599613560.db2.gz UEPWOSRQCGFROJ-UHFFFAOYSA-N -1 3 396.459 0.996 20 0 GCADHM Cn1nccc1C1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000737629015 599613562 /nfs/dbraw/zinc/61/35/62/599613562.db2.gz UEPWOSRQCGFROJ-UHFFFAOYSA-N -1 3 396.459 0.996 20 0 GCADHM O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738034011 599615040 /nfs/dbraw/zinc/61/50/40/599615040.db2.gz DVORMHQMRLHOFX-CYBMUJFWSA-N -1 3 394.443 0.305 20 0 GCADHM O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738034011 599615041 /nfs/dbraw/zinc/61/50/41/599615041.db2.gz DVORMHQMRLHOFX-CYBMUJFWSA-N -1 3 394.443 0.305 20 0 GCADHM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820138230 599615468 /nfs/dbraw/zinc/61/54/68/599615468.db2.gz RZUOHWDAHQOXCF-SECBINFHSA-N -1 3 378.364 0.648 20 0 GCADHM CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820138230 599615469 /nfs/dbraw/zinc/61/54/69/599615469.db2.gz RZUOHWDAHQOXCF-SECBINFHSA-N -1 3 378.364 0.648 20 0 GCADHM Cc1ccoc1C(=O)NCCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737446183 599616352 /nfs/dbraw/zinc/61/63/52/599616352.db2.gz TWDDJNNUSDKPPM-UHFFFAOYSA-N -1 3 397.395 0.643 20 0 GCADHM Cc1ccoc1C(=O)NCCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737446183 599616353 /nfs/dbraw/zinc/61/63/53/599616353.db2.gz TWDDJNNUSDKPPM-UHFFFAOYSA-N -1 3 397.395 0.643 20 0 GCADHM CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737179233 599616368 /nfs/dbraw/zinc/61/63/68/599616368.db2.gz JNRNFZFLOQTZLI-CQSZACIVSA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737179233 599616369 /nfs/dbraw/zinc/61/63/69/599616369.db2.gz JNRNFZFLOQTZLI-CQSZACIVSA-N -1 3 384.849 0.689 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2c(C)c(C)nc2C1 ZINC000737057673 599616435 /nfs/dbraw/zinc/61/64/35/599616435.db2.gz HXBAGQODSQNBBG-UHFFFAOYSA-N -1 3 396.411 0.670 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)C(=O)Nc1cc(-c3nnn[n-]3)ccc1C)C2 ZINC000737288454 599616693 /nfs/dbraw/zinc/61/66/93/599616693.db2.gz KBHMIQKASOSVLV-UHFFFAOYSA-N -1 3 380.412 0.969 20 0 GCADHM Cc1nc2n(c1C)CCN(C(=O)C(=O)Nc1cc(-c3nn[n-]n3)ccc1C)C2 ZINC000737288454 599616695 /nfs/dbraw/zinc/61/66/95/599616695.db2.gz KBHMIQKASOSVLV-UHFFFAOYSA-N -1 3 380.412 0.969 20 0 GCADHM C[C@@H](CCO)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820241564 599616991 /nfs/dbraw/zinc/61/69/91/599616991.db2.gz HBXIZGRLXVKACG-QMMMGPOBSA-N -1 3 384.343 0.541 20 0 GCADHM C[C@@H](CCO)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820241564 599616993 /nfs/dbraw/zinc/61/69/93/599616993.db2.gz HBXIZGRLXVKACG-QMMMGPOBSA-N -1 3 384.343 0.541 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000738162011 599617292 /nfs/dbraw/zinc/61/72/92/599617292.db2.gz IHZAUYVYRNZAFE-LBPRGKRZSA-N -1 3 384.375 0.832 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H]1Cn1cccn1 ZINC000738162011 599617294 /nfs/dbraw/zinc/61/72/94/599617294.db2.gz IHZAUYVYRNZAFE-LBPRGKRZSA-N -1 3 384.375 0.832 20 0 GCADHM CCN(CCCO)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000821206961 599617762 /nfs/dbraw/zinc/61/77/62/599617762.db2.gz HQQAEINZANRAGI-UHFFFAOYSA-N -1 3 384.343 0.638 20 0 GCADHM CCN(CCCO)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000821206961 599617764 /nfs/dbraw/zinc/61/77/64/599617764.db2.gz HQQAEINZANRAGI-UHFFFAOYSA-N -1 3 384.343 0.638 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)CCO ZINC000821401245 599617980 /nfs/dbraw/zinc/61/79/80/599617980.db2.gz SZRBFEYCRFHHEH-UHFFFAOYSA-N -1 3 376.417 0.729 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)CCO ZINC000821401245 599617981 /nfs/dbraw/zinc/61/79/81/599617981.db2.gz SZRBFEYCRFHHEH-UHFFFAOYSA-N -1 3 376.417 0.729 20 0 GCADHM C[C@@H](O)CN1CCN([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000736147367 599618785 /nfs/dbraw/zinc/61/87/85/599618785.db2.gz NBXMCPQXMYPDQQ-VXGBXAGGSA-N -1 3 393.879 0.846 20 0 GCADHM Cc1cc(-n2cncn2)ccc1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000822153984 599623099 /nfs/dbraw/zinc/62/30/99/599623099.db2.gz RQXTXSZOBMDQSH-UHFFFAOYSA-N -1 3 380.372 0.392 20 0 GCADHM Cc1cc(-n2cncn2)ccc1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000822153984 599623100 /nfs/dbraw/zinc/62/31/00/599623100.db2.gz RQXTXSZOBMDQSH-UHFFFAOYSA-N -1 3 380.372 0.392 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCCN1C(=O)c2ccncc2C1=O ZINC000823078770 599625871 /nfs/dbraw/zinc/62/58/71/599625871.db2.gz SEFZSXSWGWYSTJ-UHFFFAOYSA-N -1 3 378.348 0.644 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCN1C(=O)c2ccncc2C1=O ZINC000823078770 599625872 /nfs/dbraw/zinc/62/58/72/599625872.db2.gz SEFZSXSWGWYSTJ-UHFFFAOYSA-N -1 3 378.348 0.644 20 0 GCADHM O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2nnn[n-]2)cn1)N1CCCC1 ZINC000822987511 599634887 /nfs/dbraw/zinc/63/48/87/599634887.db2.gz YPGYZSYXAMFLAN-AWEZNQCLSA-N -1 3 385.428 0.505 20 0 GCADHM O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2nn[n-]n2)cn1)N1CCCC1 ZINC000822987511 599634888 /nfs/dbraw/zinc/63/48/88/599634888.db2.gz YPGYZSYXAMFLAN-AWEZNQCLSA-N -1 3 385.428 0.505 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000822898967 599639594 /nfs/dbraw/zinc/63/95/94/599639594.db2.gz CQZZAEYLSNOKPW-UHFFFAOYSA-N -1 3 399.436 0.515 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000822898967 599639595 /nfs/dbraw/zinc/63/95/95/599639595.db2.gz CQZZAEYLSNOKPW-UHFFFAOYSA-N -1 3 399.436 0.515 20 0 GCADHM CC[C@@H](CO)N1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000820908931 599643399 /nfs/dbraw/zinc/64/33/99/599643399.db2.gz RVCACEGPFRGKTG-ZDUSSCGKSA-N -1 3 377.449 0.404 20 0 GCADHM CCc1nsc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000821559044 599644654 /nfs/dbraw/zinc/64/46/54/599644654.db2.gz QKNPAACDXBZORN-AWEZNQCLSA-N -1 3 399.484 0.629 20 0 GCADHM CCc1nsc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000821559044 599644655 /nfs/dbraw/zinc/64/46/55/599644655.db2.gz QKNPAACDXBZORN-AWEZNQCLSA-N -1 3 399.484 0.629 20 0 GCADHM Cc1cc(N2CC[C@H](OC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822207018 599648233 /nfs/dbraw/zinc/64/82/33/599648233.db2.gz IDWRKNNZQGHADH-AWEZNQCLSA-N -1 3 397.395 0.636 20 0 GCADHM Cc1cc(N2CC[C@H](OC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822207539 599649038 /nfs/dbraw/zinc/64/90/38/599649038.db2.gz ZEOHAOWFFCLDGJ-AWEZNQCLSA-N -1 3 397.395 0.636 20 0 GCADHM Cc1cc(N2CC[C@H](OC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207539 599649039 /nfs/dbraw/zinc/64/90/39/599649039.db2.gz ZEOHAOWFFCLDGJ-AWEZNQCLSA-N -1 3 397.395 0.636 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nnn[n-]1)OCCOCC1CC1 ZINC000823009466 599652383 /nfs/dbraw/zinc/65/23/83/599652383.db2.gz JUBWYMVZRXJGGB-UHFFFAOYSA-N -1 3 381.414 0.115 20 0 GCADHM O=C(CNS(=O)(=O)c1ccccc1-c1nn[n-]n1)OCCOCC1CC1 ZINC000823009466 599652384 /nfs/dbraw/zinc/65/23/84/599652384.db2.gz JUBWYMVZRXJGGB-UHFFFAOYSA-N -1 3 381.414 0.115 20 0 GCADHM CCN1C[C@@H](C(=O)OCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1=O ZINC000821241847 599654318 /nfs/dbraw/zinc/65/43/18/599654318.db2.gz PCLXNJBGVNDSQX-LBPRGKRZSA-N -1 3 383.368 0.828 20 0 GCADHM CCN1C[C@@H](C(=O)OCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1=O ZINC000821241847 599654319 /nfs/dbraw/zinc/65/43/19/599654319.db2.gz PCLXNJBGVNDSQX-LBPRGKRZSA-N -1 3 383.368 0.828 20 0 GCADHM CN(CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ncccn1 ZINC000821593996 599654419 /nfs/dbraw/zinc/65/44/19/599654419.db2.gz SYZABEMLILWOJF-UHFFFAOYSA-N -1 3 393.367 0.886 20 0 GCADHM CN(CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)c1ncccn1 ZINC000821593996 599654420 /nfs/dbraw/zinc/65/44/20/599654420.db2.gz SYZABEMLILWOJF-UHFFFAOYSA-N -1 3 393.367 0.886 20 0 GCADHM CCCOC(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821127433 599657060 /nfs/dbraw/zinc/65/70/60/599657060.db2.gz HOUKLQLQPBNWKU-LLVKDONJSA-N -1 3 396.425 0.666 20 0 GCADHM CCCOC(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821127433 599657061 /nfs/dbraw/zinc/65/70/61/599657061.db2.gz HOUKLQLQPBNWKU-LLVKDONJSA-N -1 3 396.425 0.666 20 0 GCADHM Cn1cc(N2CCC[C@H](OC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822680859 599659434 /nfs/dbraw/zinc/65/94/34/599659434.db2.gz QMAYCVIWLNDLKS-HNNXBMFYSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1cc(N2CCC[C@H](OC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822680859 599659435 /nfs/dbraw/zinc/65/94/35/599659435.db2.gz QMAYCVIWLNDLKS-HNNXBMFYSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1ccc(N2CCC[C@H](OC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000822690205 599659544 /nfs/dbraw/zinc/65/95/44/599659544.db2.gz VPMUHUQNGHMDBK-AWEZNQCLSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1ccc(N2CCC[C@H](OC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822690205 599659545 /nfs/dbraw/zinc/65/95/45/599659545.db2.gz VPMUHUQNGHMDBK-AWEZNQCLSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1cc(N2CCC[C@@H](OC(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822680860 599659553 /nfs/dbraw/zinc/65/95/53/599659553.db2.gz QMAYCVIWLNDLKS-OAHLLOKOSA-N -1 3 381.396 0.882 20 0 GCADHM Cn1cc(N2CCC[C@@H](OC(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822680860 599659554 /nfs/dbraw/zinc/65/95/54/599659554.db2.gz QMAYCVIWLNDLKS-OAHLLOKOSA-N -1 3 381.396 0.882 20 0 GCADHM O=C(OCCN1C(=O)NC2(CCCC2)C1=O)c1sccc1-c1nnn[n-]1 ZINC000823405165 599659884 /nfs/dbraw/zinc/65/98/84/599659884.db2.gz JXMZPOLSNBWBAQ-UHFFFAOYSA-N -1 3 376.398 0.950 20 0 GCADHM C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCNC1=O 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COc1cccc([C@H](CO)NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000821862361 599669313 /nfs/dbraw/zinc/66/93/13/599669313.db2.gz AADBTYBFXHNVEU-HNNXBMFYSA-N -1 3 398.427 0.715 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821862361 599669314 /nfs/dbraw/zinc/66/93/14/599669314.db2.gz AADBTYBFXHNVEU-HNNXBMFYSA-N -1 3 398.427 0.715 20 0 GCADHM CC[C@@H](C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000820847947 599671182 /nfs/dbraw/zinc/67/11/82/599671182.db2.gz NLNLQCQKLBSDOM-AWEZNQCLSA-N -1 3 386.412 0.427 20 0 GCADHM CC[C@@H](C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000820847947 599671183 /nfs/dbraw/zinc/67/11/83/599671183.db2.gz NLNLQCQKLBSDOM-AWEZNQCLSA-N -1 3 386.412 0.427 20 0 GCADHM CC1(C)CN(CCNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC000820601054 599673005 /nfs/dbraw/zinc/67/30/05/599673005.db2.gz AOMZCGXVLIIMKO-UHFFFAOYSA-N -1 3 377.424 0.916 20 0 GCADHM O=C(NC[C@H]1CCC[C@H]1O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823176468 599674307 /nfs/dbraw/zinc/67/43/07/599674307.db2.gz UBLRXJAIPWUPFZ-IUODEOHRSA-N -1 3 386.460 0.691 20 0 GCADHM O=C(NC[C@H]1CCC[C@H]1O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823176468 599674308 /nfs/dbraw/zinc/67/43/08/599674308.db2.gz UBLRXJAIPWUPFZ-IUODEOHRSA-N -1 3 386.460 0.691 20 0 GCADHM COCCOC[C@@H](C)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821692237 599677381 /nfs/dbraw/zinc/67/73/81/599677381.db2.gz RPVYKMYIJQWRSJ-CYBMUJFWSA-N -1 3 390.448 0.145 20 0 GCADHM COCCOC[C@@H](C)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821692237 599677382 /nfs/dbraw/zinc/67/73/82/599677382.db2.gz RPVYKMYIJQWRSJ-CYBMUJFWSA-N -1 3 390.448 0.145 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000823211446 599678121 /nfs/dbraw/zinc/67/81/21/599678121.db2.gz PJSAAEVJKFGALI-AWEZNQCLSA-N -1 3 383.416 0.884 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC000819810532 599679380 /nfs/dbraw/zinc/67/93/80/599679380.db2.gz MDJPSSAFOKLPCT-CYBMUJFWSA-N -1 3 377.380 0.052 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC000819810532 599679381 /nfs/dbraw/zinc/67/93/81/599679381.db2.gz MDJPSSAFOKLPCT-CYBMUJFWSA-N -1 3 377.380 0.052 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cn1C ZINC000821667953 599682894 /nfs/dbraw/zinc/68/28/94/599682894.db2.gz IDXIEJKIIXIFTP-UHFFFAOYSA-N -1 3 394.388 0.609 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cn1C ZINC000821667953 599682895 /nfs/dbraw/zinc/68/28/95/599682895.db2.gz IDXIEJKIIXIFTP-UHFFFAOYSA-N -1 3 394.388 0.609 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@](O)(C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822894554 599685810 /nfs/dbraw/zinc/68/58/10/599685810.db2.gz AWVOJXDRIVNZFA-LLVKDONJSA-N -1 3 378.336 0.018 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@](O)(C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822894554 599685811 /nfs/dbraw/zinc/68/58/11/599685811.db2.gz AWVOJXDRIVNZFA-LLVKDONJSA-N -1 3 378.336 0.018 20 0 GCADHM C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@H](C(F)(F)F)O1 ZINC000820774372 599687936 /nfs/dbraw/zinc/68/79/36/599687936.db2.gz BMIWOXDHGAQSKU-WRWORJQWSA-N -1 3 392.363 0.670 20 0 GCADHM C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@H](C(F)(F)F)O1 ZINC000820774372 599687937 /nfs/dbraw/zinc/68/79/37/599687937.db2.gz BMIWOXDHGAQSKU-WRWORJQWSA-N -1 3 392.363 0.670 20 0 GCADHM O=C1C[C@@H](c2cccc(NC[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)c2)CN1 ZINC000823521185 607391692 /nfs/dbraw/zinc/39/16/92/607391692.db2.gz RWJBXEHSZOTVJI-DGCLKSJQSA-N -1 3 379.428 0.821 20 0 GCADHM O=C1C[C@@H](c2cccc(NC[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)c2)CN1 ZINC000823521185 607391694 /nfs/dbraw/zinc/39/16/94/607391694.db2.gz RWJBXEHSZOTVJI-DGCLKSJQSA-N -1 3 379.428 0.821 20 0 GCADHM COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000821655978 599696047 /nfs/dbraw/zinc/69/60/47/599696047.db2.gz VGMBNHVDFTYTNU-CABCVRRESA-N -1 3 399.455 0.890 20 0 GCADHM COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821655978 599696048 /nfs/dbraw/zinc/69/60/48/599696048.db2.gz VGMBNHVDFTYTNU-CABCVRRESA-N -1 3 399.455 0.890 20 0 GCADHM COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000821655981 599696095 /nfs/dbraw/zinc/69/60/95/599696095.db2.gz VGMBNHVDFTYTNU-LSDHHAIUSA-N -1 3 399.455 0.890 20 0 GCADHM COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000821655981 599696096 /nfs/dbraw/zinc/69/60/96/599696096.db2.gz VGMBNHVDFTYTNU-LSDHHAIUSA-N -1 3 399.455 0.890 20 0 GCADHM O=C(COc1ccc(O)cc1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823040288 599696280 /nfs/dbraw/zinc/69/62/80/599696280.db2.gz HALFQHKQGMKSOT-UHFFFAOYSA-N -1 3 381.396 0.695 20 0 GCADHM O=C(COc1ccc(O)cc1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823040288 599696281 /nfs/dbraw/zinc/69/62/81/599696281.db2.gz HALFQHKQGMKSOT-UHFFFAOYSA-N -1 3 381.396 0.695 20 0 GCADHM O=CNc1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000823551249 599698168 /nfs/dbraw/zinc/69/81/68/599698168.db2.gz KRRFXGNMHFJNED-UHFFFAOYSA-N -1 3 378.396 0.792 20 0 GCADHM O=CNc1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000823551249 599698169 /nfs/dbraw/zinc/69/81/69/599698169.db2.gz KRRFXGNMHFJNED-UHFFFAOYSA-N -1 3 378.396 0.792 20 0 GCADHM O=C(Cn1ccnc1)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000823122509 599699625 /nfs/dbraw/zinc/69/96/25/599699625.db2.gz DOAANKYCCXQAPV-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM O=C(Cn1ccnc1)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000823122509 599699626 /nfs/dbraw/zinc/69/96/26/599699626.db2.gz DOAANKYCCXQAPV-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM CCN1CCO[C@@H](C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821277200 599699804 /nfs/dbraw/zinc/69/98/04/599699804.db2.gz RNHCEZVJAZSUHR-OAHLLOKOSA-N -1 3 386.460 0.067 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H](O)C1CCOCC1 ZINC000823154772 599700135 /nfs/dbraw/zinc/70/01/35/599700135.db2.gz JMTFSSYHACRKQZ-INIZCTEOSA-N -1 3 387.444 0.134 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H](O)C1CCOCC1 ZINC000823154772 599700136 /nfs/dbraw/zinc/70/01/36/599700136.db2.gz JMTFSSYHACRKQZ-INIZCTEOSA-N -1 3 387.444 0.134 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000826251535 607389319 /nfs/dbraw/zinc/38/93/19/607389319.db2.gz SLXJGEMLNLOVNV-LLVKDONJSA-N -1 3 386.412 0.457 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000826251535 607389321 /nfs/dbraw/zinc/38/93/21/607389321.db2.gz SLXJGEMLNLOVNV-LLVKDONJSA-N -1 3 386.412 0.457 20 0 GCADHM O=C1C[C@H](c2cccc(NC[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)c2)CN1 ZINC000823521187 607391504 /nfs/dbraw/zinc/39/15/04/607391504.db2.gz RWJBXEHSZOTVJI-YPMHNXCESA-N -1 3 379.428 0.821 20 0 GCADHM O=C1C[C@H](c2cccc(NC[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)c2)CN1 ZINC000823521187 607391506 /nfs/dbraw/zinc/39/15/06/607391506.db2.gz RWJBXEHSZOTVJI-YPMHNXCESA-N -1 3 379.428 0.821 20 0 GCADHM CNC(=O)COc1cccc(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000435474098 607391587 /nfs/dbraw/zinc/39/15/87/607391587.db2.gz UGHIANBFTUGNML-UHFFFAOYSA-N -1 3 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ZINC000826143527 607565444 /nfs/dbraw/zinc/56/54/44/607565444.db2.gz DFFZPCDWTWMANY-UHFFFAOYSA-N -1 3 376.417 0.740 20 0 GCADHM COc1ccc(CNC(=O)NCCOC[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC000826199673 607566818 /nfs/dbraw/zinc/56/68/18/607566818.db2.gz IFFLFHUBTZCXTK-CYBMUJFWSA-N -1 3 376.417 0.870 20 0 GCADHM COc1ccc(CNC(=O)NCCOC[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC000826199673 607566820 /nfs/dbraw/zinc/56/68/20/607566820.db2.gz IFFLFHUBTZCXTK-CYBMUJFWSA-N -1 3 376.417 0.870 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCN(c3ccc(-c4nnn[n-]4)cn3)CC1)CC2 ZINC000826337591 607567312 /nfs/dbraw/zinc/56/73/12/607567312.db2.gz UCVCQZJMEYMDAM-CQSZACIVSA-N -1 3 394.443 0.073 20 0 GCADHM Cc1nnc2n1C[C@H](C(=O)N1CCN(c3ccc(-c4nn[n-]n4)cn3)CC1)CC2 ZINC000826337591 607567314 /nfs/dbraw/zinc/56/73/14/607567314.db2.gz UCVCQZJMEYMDAM-CQSZACIVSA-N -1 3 394.443 0.073 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000826337574 607566175 /nfs/dbraw/zinc/56/61/75/607566175.db2.gz TUAVWSLONMDQSH-JSGCOSHPSA-N -1 3 382.384 0.099 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826337574 607566177 /nfs/dbraw/zinc/56/61/77/607566177.db2.gz TUAVWSLONMDQSH-JSGCOSHPSA-N -1 3 382.384 0.099 20 0 GCADHM COc1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1-c1nnn[n-]1 ZINC000826198270 607573137 /nfs/dbraw/zinc/57/31/37/607573137.db2.gz SKTGLFIYDPZQHT-AWEZNQCLSA-N -1 3 387.444 0.491 20 0 GCADHM COc1ccc(CNC(=O)N2CC[C@H](N3CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000826198270 607573138 /nfs/dbraw/zinc/57/31/38/607573138.db2.gz SKTGLFIYDPZQHT-AWEZNQCLSA-N -1 3 387.444 0.491 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(c3cnn(C)c3)CC2)cc1-c1nnn[n-]1 ZINC000826197889 607573167 /nfs/dbraw/zinc/57/31/67/607573167.db2.gz GHMSMEPAGBKORM-UHFFFAOYSA-N -1 3 397.443 0.641 20 0 GCADHM COc1ccc(CNC(=O)N2CCN(c3cnn(C)c3)CC2)cc1-c1nn[n-]n1 ZINC000826197889 607573168 /nfs/dbraw/zinc/57/31/68/607573168.db2.gz GHMSMEPAGBKORM-UHFFFAOYSA-N -1 3 397.443 0.641 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1-c1nnn[n-]1 ZINC000826197674 607574072 /nfs/dbraw/zinc/57/40/72/607574072.db2.gz YZFCDJOZADJYSV-QWRGUYRKSA-N -1 3 396.473 0.838 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1-c1nn[n-]n1 ZINC000826197674 607574074 /nfs/dbraw/zinc/57/40/74/607574074.db2.gz YZFCDJOZADJYSV-QWRGUYRKSA-N -1 3 396.473 0.838 20 0 GCADHM COc1ccc(CNC(=O)N2CCOC3(CCOCC3)C2)cc1-c1nnn[n-]1 ZINC000826197817 607574265 /nfs/dbraw/zinc/57/42/65/607574265.db2.gz DTUAIPBRDFAAEZ-UHFFFAOYSA-N -1 3 388.428 0.966 20 0 GCADHM COc1ccc(CNC(=O)N2CCOC3(CCOCC3)C2)cc1-c1nn[n-]n1 ZINC000826197817 607574266 /nfs/dbraw/zinc/57/42/66/607574266.db2.gz DTUAIPBRDFAAEZ-UHFFFAOYSA-N -1 3 388.428 0.966 20 0 GCADHM COC1(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)CCOCC1 ZINC000826143498 607575942 /nfs/dbraw/zinc/57/59/42/607575942.db2.gz CENZRQHGCFYICB-UHFFFAOYSA-N -1 3 376.421 0.168 20 0 GCADHM COC1(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)CCOCC1 ZINC000826143498 607575944 /nfs/dbraw/zinc/57/59/44/607575944.db2.gz CENZRQHGCFYICB-UHFFFAOYSA-N -1 3 376.421 0.168 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H]2CCc3nc(C)nn3C2)cc1-c1nnn[n-]1 ZINC000826198786 607577007 /nfs/dbraw/zinc/57/70/07/607577007.db2.gz IWHLWOBYJNSOGE-GFCCVEGCSA-N -1 3 383.416 0.589 20 0 GCADHM COc1ccc(CNC(=O)N[C@@H]2CCc3nc(C)nn3C2)cc1-c1nn[n-]n1 ZINC000826198786 607577008 /nfs/dbraw/zinc/57/70/08/607577008.db2.gz IWHLWOBYJNSOGE-GFCCVEGCSA-N -1 3 383.416 0.589 20 0 GCADHM CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000823974807 607579620 /nfs/dbraw/zinc/57/96/20/607579620.db2.gz SIDDKYSHGANRCN-UHFFFAOYSA-N -1 3 384.849 0.809 20 0 GCADHM CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC000823974807 607579622 /nfs/dbraw/zinc/57/96/22/607579622.db2.gz SIDDKYSHGANRCN-UHFFFAOYSA-N -1 3 384.849 0.809 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000825471306 607579650 /nfs/dbraw/zinc/57/96/50/607579650.db2.gz RQQXQGUXHFCBQI-UHFFFAOYSA-N -1 3 379.446 0.211 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000825471306 607579651 /nfs/dbraw/zinc/57/96/51/607579651.db2.gz RQQXQGUXHFCBQI-UHFFFAOYSA-N -1 3 379.446 0.211 20 0 GCADHM CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825838608 607580431 /nfs/dbraw/zinc/58/04/31/607580431.db2.gz BABVMFYPHZLPCW-NSHDSACASA-N -1 3 384.849 0.761 20 0 GCADHM CC(C)[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000824192637 607581285 /nfs/dbraw/zinc/58/12/85/607581285.db2.gz KUIGDLOLWMQZCT-AWEZNQCLSA-N -1 3 398.464 0.641 20 0 GCADHM CC(C)[C@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000824192637 607581286 /nfs/dbraw/zinc/58/12/86/607581286.db2.gz KUIGDLOLWMQZCT-AWEZNQCLSA-N -1 3 398.464 0.641 20 0 GCADHM O=C(NOCc1cccnc1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826449597 607577599 /nfs/dbraw/zinc/57/75/99/607577599.db2.gz AHMGIRJMJMGZBE-UHFFFAOYSA-N -1 3 381.400 0.620 20 0 GCADHM O=C(NOCc1cccnc1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826449597 607577601 /nfs/dbraw/zinc/57/76/01/607577601.db2.gz AHMGIRJMJMGZBE-UHFFFAOYSA-N -1 3 381.400 0.620 20 0 GCADHM CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826060918 607585453 /nfs/dbraw/zinc/58/54/53/607585453.db2.gz WQPVKLMZFVWKKI-NSHDSACASA-N -1 3 384.849 0.809 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000824207606 607586918 /nfs/dbraw/zinc/58/69/18/607586918.db2.gz YTFLLUMAGYSMME-RHSMWYFYSA-N -1 3 385.472 0.386 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000824207606 607586920 /nfs/dbraw/zinc/58/69/20/607586920.db2.gz YTFLLUMAGYSMME-RHSMWYFYSA-N -1 3 385.472 0.386 20 0 GCADHM CCN(C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CCO1)c1cccnn1 ZINC000825417317 607587459 /nfs/dbraw/zinc/58/74/59/607587459.db2.gz PVWJORRWZYHICX-AWEZNQCLSA-N -1 3 395.427 0.419 20 0 GCADHM CCN(C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CCO1)c1cccnn1 ZINC000825417317 607587461 /nfs/dbraw/zinc/58/74/61/607587461.db2.gz PVWJORRWZYHICX-AWEZNQCLSA-N -1 3 395.427 0.419 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCNC(=O)c2cccnc2)c1-c1nnn[n-]1 ZINC000826303121 607588903 /nfs/dbraw/zinc/58/89/03/607588903.db2.gz ARVMMKPLYVUITR-UHFFFAOYSA-N -1 3 387.425 0.278 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCNC(=O)c2cccnc2)c1-c1nn[n-]n1 ZINC000826303121 607588904 /nfs/dbraw/zinc/58/89/04/607588904.db2.gz ARVMMKPLYVUITR-UHFFFAOYSA-N -1 3 387.425 0.278 20 0 GCADHM COc1ccc(CNC(=O)Cn2nc3ccccn3c2=O)cc1-c1nnn[n-]1 ZINC000826197141 607589508 /nfs/dbraw/zinc/58/95/08/607589508.db2.gz BLQFZOILGYPRHO-UHFFFAOYSA-N -1 3 380.368 0.001 20 0 GCADHM COc1ccc(CNC(=O)Cn2nc3ccccn3c2=O)cc1-c1nn[n-]n1 ZINC000826197141 607589510 /nfs/dbraw/zinc/58/95/10/607589510.db2.gz BLQFZOILGYPRHO-UHFFFAOYSA-N -1 3 380.368 0.001 20 0 GCADHM COc1ccc(CNC(=O)c2cccc(OCC(N)=O)c2)cc1-c1nnn[n-]1 ZINC000826201132 607590012 /nfs/dbraw/zinc/59/00/12/607590012.db2.gz ALHXOFSMLASZEG-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM COc1ccc(CNC(=O)c2cccc(OCC(N)=O)c2)cc1-c1nn[n-]n1 ZINC000826201132 607590013 /nfs/dbraw/zinc/59/00/13/607590013.db2.gz ALHXOFSMLASZEG-UHFFFAOYSA-N -1 3 382.380 0.669 20 0 GCADHM COCCOc1ccc(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)cn1 ZINC000826162622 607590367 /nfs/dbraw/zinc/59/03/67/607590367.db2.gz KTOCSDXDLSGIPS-UHFFFAOYSA-N -1 3 390.425 0.765 20 0 GCADHM COCCOc1ccc(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC000826162622 607590368 /nfs/dbraw/zinc/59/03/68/607590368.db2.gz KTOCSDXDLSGIPS-UHFFFAOYSA-N -1 3 390.425 0.765 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)cc1-c1nnn[n-]1 ZINC000826196031 607592044 /nfs/dbraw/zinc/59/20/44/607592044.db2.gz OIDFXLQMYYUPHO-SKDRFNHKSA-N -1 3 398.345 0.949 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)cc1-c1nn[n-]n1 ZINC000826196031 607592046 /nfs/dbraw/zinc/59/20/46/607592046.db2.gz OIDFXLQMYYUPHO-SKDRFNHKSA-N -1 3 398.345 0.949 20 0 GCADHM O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1-c1nnn[n-]1 ZINC000826487828 607592574 /nfs/dbraw/zinc/59/25/74/607592574.db2.gz BCDRBIOXIRIXJH-GFCCVEGCSA-N -1 3 386.441 0.604 20 0 GCADHM O=S(=O)(N[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1-c1nn[n-]n1 ZINC000826487828 607592576 /nfs/dbraw/zinc/59/25/76/607592576.db2.gz BCDRBIOXIRIXJH-GFCCVEGCSA-N -1 3 386.441 0.604 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826482347 607598058 /nfs/dbraw/zinc/59/80/58/607598058.db2.gz BMQRTYAUQIPDDN-LLVKDONJSA-N -1 3 377.430 0.045 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826482347 607598060 /nfs/dbraw/zinc/59/80/60/607598060.db2.gz BMQRTYAUQIPDDN-LLVKDONJSA-N -1 3 377.430 0.045 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1Cc1ccccc1 ZINC000826477994 607601001 /nfs/dbraw/zinc/60/10/01/607601001.db2.gz QVDYKVXVZWXFAG-HNNXBMFYSA-N -1 3 398.448 0.946 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1Cc1ccccc1 ZINC000826477994 607601003 /nfs/dbraw/zinc/60/10/03/607601003.db2.gz QVDYKVXVZWXFAG-HNNXBMFYSA-N -1 3 398.448 0.946 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000826496222 607601428 /nfs/dbraw/zinc/60/14/28/607601428.db2.gz OUDURGIMQXHMAR-CQSZACIVSA-N -1 3 392.485 0.742 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000826496222 607601430 /nfs/dbraw/zinc/60/14/30/607601430.db2.gz OUDURGIMQXHMAR-CQSZACIVSA-N -1 3 392.485 0.742 20 0 GCADHM COc1ccc(COC(=O)[C@H](CO)NC(=O)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826204499 607602251 /nfs/dbraw/zinc/60/22/51/607602251.db2.gz NMDMOHIPXLVABD-HNNXBMFYSA-N -1 3 397.391 0.709 20 0 GCADHM COc1ccc(COC(=O)[C@H](CO)NC(=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826204499 607602253 /nfs/dbraw/zinc/60/22/53/607602253.db2.gz NMDMOHIPXLVABD-HNNXBMFYSA-N -1 3 397.391 0.709 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@](C)(C(N)=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826301414 607602393 /nfs/dbraw/zinc/60/23/93/607602393.db2.gz DTQTWGMHCZBRFA-QGZVFWFLSA-N -1 3 386.437 0.854 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@](C)(C(N)=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826301414 607602395 /nfs/dbraw/zinc/60/23/95/607602395.db2.gz DTQTWGMHCZBRFA-QGZVFWFLSA-N -1 3 386.437 0.854 20 0 GCADHM COc1ccc(COC(=O)CN(C)C(=O)[C@H](C)n2cccn2)cc1-c1nnn[n-]1 ZINC000826205417 607603017 /nfs/dbraw/zinc/60/30/17/607603017.db2.gz VXZWJXHIZIVFSN-LBPRGKRZSA-N -1 3 399.411 0.835 20 0 GCADHM COc1ccc(COC(=O)CN(C)C(=O)[C@H](C)n2cccn2)cc1-c1nn[n-]n1 ZINC000826205417 607603018 /nfs/dbraw/zinc/60/30/18/607603018.db2.gz VXZWJXHIZIVFSN-LBPRGKRZSA-N -1 3 399.411 0.835 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)CCC1CC1 ZINC000824634234 607603278 /nfs/dbraw/zinc/60/32/78/607603278.db2.gz UBALICZRAMYMTP-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)CCC1CC1 ZINC000824634234 607603279 /nfs/dbraw/zinc/60/32/79/607603279.db2.gz UBALICZRAMYMTP-NSHDSACASA-N -1 3 378.458 0.792 20 0 GCADHM CC(=O)N1CCC(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000823975369 607609390 /nfs/dbraw/zinc/60/93/90/607609390.db2.gz XQITURGBJOOFOD-UHFFFAOYSA-N -1 3 382.421 0.543 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826302120 607610363 /nfs/dbraw/zinc/61/03/63/607610363.db2.gz AQAAHOOYFROFKC-CHWSQXEVSA-N -1 3 380.474 0.563 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826302120 607610364 /nfs/dbraw/zinc/61/03/64/607610364.db2.gz AQAAHOOYFROFKC-CHWSQXEVSA-N -1 3 380.474 0.563 20 0 GCADHM COc1ccc(CNC(=O)c2sccc2-n2cnnn2)cc1-c1nnn[n-]1 ZINC000826202241 607610507 /nfs/dbraw/zinc/61/05/07/607610507.db2.gz SFQRDWMLAZJRLZ-UHFFFAOYSA-N -1 3 383.397 0.843 20 0 GCADHM COc1ccc(CNC(=O)c2sccc2-n2cnnn2)cc1-c1nn[n-]n1 ZINC000826202241 607610509 /nfs/dbraw/zinc/61/05/09/607610509.db2.gz SFQRDWMLAZJRLZ-UHFFFAOYSA-N -1 3 383.397 0.843 20 0 GCADHM O=S(=O)(NCc1n[nH]cc1Br)c1ccccc1-c1nnn[n-]1 ZINC000826491807 607612463 /nfs/dbraw/zinc/61/24/63/607612463.db2.gz CHBQEWYZZIGYIE-UHFFFAOYSA-N -1 3 384.219 0.831 20 0 GCADHM O=S(=O)(NCc1n[nH]cc1Br)c1ccccc1-c1nn[n-]n1 ZINC000826491807 607612464 /nfs/dbraw/zinc/61/24/64/607612464.db2.gz CHBQEWYZZIGYIE-UHFFFAOYSA-N -1 3 384.219 0.831 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)c1-c1nnn[n-]1 ZINC000826301666 607613415 /nfs/dbraw/zinc/61/34/15/607613415.db2.gz LVIXDCSYVPALHG-ZDUSSCGKSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H](Cn3cccn3)C2)c1-c1nn[n-]n1 ZINC000826301666 607613418 /nfs/dbraw/zinc/61/34/18/607613418.db2.gz LVIXDCSYVPALHG-ZDUSSCGKSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826281860 607613661 /nfs/dbraw/zinc/61/36/61/607613661.db2.gz MSJGYCUBXJBEFO-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826281860 607613662 /nfs/dbraw/zinc/61/36/62/607613662.db2.gz MSJGYCUBXJBEFO-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CCN1CC(F)(F)F ZINC000826477481 607614283 /nfs/dbraw/zinc/61/42/83/607614283.db2.gz FABDOMUCDVNKQK-SECBINFHSA-N -1 3 390.347 0.308 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CCN1CC(F)(F)F ZINC000826477481 607614284 /nfs/dbraw/zinc/61/42/84/607614284.db2.gz FABDOMUCDVNKQK-SECBINFHSA-N -1 3 390.347 0.308 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)NC[C@@H]1CN2CCN1CC2 ZINC000826341095 607615920 /nfs/dbraw/zinc/61/59/20/607615920.db2.gz WMWAJDRFQSCECI-CYBMUJFWSA-N -1 3 382.428 0.288 20 0 GCADHM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826489079 607616012 /nfs/dbraw/zinc/61/60/12/607616012.db2.gz HHUQEWVFLOLQLU-VIFPVBQESA-N -1 3 380.821 0.405 20 0 GCADHM O=S(=O)(N[C@H]1CCc2ncnn2C1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826489079 607616013 /nfs/dbraw/zinc/61/60/13/607616013.db2.gz HHUQEWVFLOLQLU-VIFPVBQESA-N -1 3 380.821 0.405 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000825838855 607616917 /nfs/dbraw/zinc/61/69/17/607616917.db2.gz DDAXDCKRDLULAV-NEPJUHHUSA-N -1 3 378.458 0.792 20 0 GCADHM CN(C)C(=O)[C@@H]1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000825838855 607616918 /nfs/dbraw/zinc/61/69/18/607616918.db2.gz DDAXDCKRDLULAV-NEPJUHHUSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824859189 607619904 /nfs/dbraw/zinc/61/99/04/607619904.db2.gz NUUXQEHHMVJMCR-IUCAKERBSA-N -1 3 389.434 0.202 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)[C@@H](O)Cc1ccccc1 ZINC000824499891 607621053 /nfs/dbraw/zinc/62/10/53/607621053.db2.gz RYMUXJAAAINHDN-CJNGLKHVSA-N -1 3 396.455 0.965 20 0 GCADHM C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)[C@@H](O)Cc1ccccc1 ZINC000824499891 607621055 /nfs/dbraw/zinc/62/10/55/607621055.db2.gz RYMUXJAAAINHDN-CJNGLKHVSA-N -1 3 396.455 0.965 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(OC)c(-c3nnn[n-]3)c1)CC2 ZINC000825750577 607621645 /nfs/dbraw/zinc/62/16/45/607621645.db2.gz SUWLOKCEEROANA-LBPRGKRZSA-N -1 3 397.443 0.843 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NC(=O)NCc1ccc(OC)c(-c3nn[n-]n3)c1)CC2 ZINC000825750577 607621647 /nfs/dbraw/zinc/62/16/47/607621647.db2.gz SUWLOKCEEROANA-LBPRGKRZSA-N -1 3 397.443 0.843 20 0 GCADHM COc1ccc(CNC(=O)N2CCc3nn(C)c(=O)cc3C2)cc1-c1nnn[n-]1 ZINC000826198498 607625149 /nfs/dbraw/zinc/62/51/49/607625149.db2.gz ACJOUHURFPZKRL-UHFFFAOYSA-N -1 3 396.411 0.237 20 0 GCADHM COc1ccc(CNC(=O)N2CCc3nn(C)c(=O)cc3C2)cc1-c1nn[n-]n1 ZINC000826198498 607625151 /nfs/dbraw/zinc/62/51/51/607625151.db2.gz ACJOUHURFPZKRL-UHFFFAOYSA-N -1 3 396.411 0.237 20 0 GCADHM COc1ccccc1[C@@H](O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826219026 607626865 /nfs/dbraw/zinc/62/68/65/607626865.db2.gz QVACZRNCIDIZEA-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@@H](O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826219026 607626866 /nfs/dbraw/zinc/62/68/66/607626866.db2.gz QVACZRNCIDIZEA-AWEZNQCLSA-N -1 3 375.410 0.887 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826488962 607627447 /nfs/dbraw/zinc/62/74/47/607627447.db2.gz DMYJUQFFGOEVNU-ZDUSSCGKSA-N -1 3 375.410 0.585 20 0 GCADHM O=S(=O)(NC[C@H](O)COc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826488962 607627448 /nfs/dbraw/zinc/62/74/48/607627448.db2.gz DMYJUQFFGOEVNU-ZDUSSCGKSA-N -1 3 375.410 0.585 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824314875 607628843 /nfs/dbraw/zinc/62/88/43/607628843.db2.gz IUPLKQDWUDZYEF-CQSZACIVSA-N -1 3 399.473 0.290 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824314875 607628845 /nfs/dbraw/zinc/62/88/45/607628845.db2.gz IUPLKQDWUDZYEF-CQSZACIVSA-N -1 3 399.473 0.290 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824314786 607628994 /nfs/dbraw/zinc/62/89/94/607628994.db2.gz GGXPPXMWECNIAG-CQSZACIVSA-N -1 3 399.473 0.290 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824314786 607628996 /nfs/dbraw/zinc/62/89/96/607628996.db2.gz GGXPPXMWECNIAG-CQSZACIVSA-N -1 3 399.473 0.290 20 0 GCADHM Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000826300193 607629659 /nfs/dbraw/zinc/62/96/59/607629659.db2.gz LOZBDEVDRJZRHB-CYBMUJFWSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000826300193 607629660 /nfs/dbraw/zinc/62/96/60/607629660.db2.gz LOZBDEVDRJZRHB-CYBMUJFWSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826300530 607629717 /nfs/dbraw/zinc/62/97/17/607629717.db2.gz YGTZYYMPUXSVRG-CQSZACIVSA-N -1 3 389.437 0.893 20 0 GCADHM Cc1cccc(OC[C@H](O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826300530 607629718 /nfs/dbraw/zinc/62/97/18/607629718.db2.gz YGTZYYMPUXSVRG-CQSZACIVSA-N -1 3 389.437 0.893 20 0 GCADHM CC(C)(O)CN1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824173372 607630093 /nfs/dbraw/zinc/63/00/93/607630093.db2.gz XTNCILKLILPPHV-UHFFFAOYSA-N -1 3 380.474 0.085 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cccc(C(N)=O)c2)cc1-c1nnn[n-]1 ZINC000826195641 607630746 /nfs/dbraw/zinc/63/07/46/607630746.db2.gz AXLPQUXNONJOPG-UHFFFAOYSA-N -1 3 395.379 0.229 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cccc(C(N)=O)c2)cc1-c1nn[n-]n1 ZINC000826195641 607630748 /nfs/dbraw/zinc/63/07/48/607630748.db2.gz AXLPQUXNONJOPG-UHFFFAOYSA-N -1 3 395.379 0.229 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H](OCCO)C1 ZINC000826493757 607634660 /nfs/dbraw/zinc/63/46/60/607634660.db2.gz BCROVZPPFYQHKV-SNVBAGLBSA-N -1 3 387.849 0.682 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H](OCCO)C1 ZINC000826493757 607634661 /nfs/dbraw/zinc/63/46/61/607634661.db2.gz BCROVZPPFYQHKV-SNVBAGLBSA-N -1 3 387.849 0.682 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cccnc2OC)cc1-c1nnn[n-]1 ZINC000826196398 607631065 /nfs/dbraw/zinc/63/10/65/607631065.db2.gz ZXNOMLSATRKASD-UHFFFAOYSA-N -1 3 383.368 0.534 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2cccnc2OC)cc1-c1nn[n-]n1 ZINC000826196398 607631066 /nfs/dbraw/zinc/63/10/66/607631066.db2.gz ZXNOMLSATRKASD-UHFFFAOYSA-N -1 3 383.368 0.534 20 0 GCADHM CN(CCC1CC1)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825914517 607632292 /nfs/dbraw/zinc/63/22/92/607632292.db2.gz IJFZACABJHRVOB-UHFFFAOYSA-N -1 3 395.427 0.704 20 0 GCADHM CN(CCC1CC1)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825914517 607632293 /nfs/dbraw/zinc/63/22/93/607632293.db2.gz IJFZACABJHRVOB-UHFFFAOYSA-N -1 3 395.427 0.704 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111737 607632304 /nfs/dbraw/zinc/63/23/04/607632304.db2.gz LIUUATLRTFPEEN-OAHLLOKOSA-N -1 3 391.453 0.731 20 0 GCADHM COC(=O)[C@H](O)C1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111737 607632305 /nfs/dbraw/zinc/63/23/05/607632305.db2.gz LIUUATLRTFPEEN-OAHLLOKOSA-N -1 3 391.453 0.731 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)NCC2(CO)COC2)c1-c1nnn[n-]1 ZINC000826231564 607632525 /nfs/dbraw/zinc/63/25/25/607632525.db2.gz PVJRJWUVDWJOLC-UHFFFAOYSA-N -1 3 376.442 0.600 20 0 GCADHM CC(C)(O)CN1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824173372 607630091 /nfs/dbraw/zinc/63/00/91/607630091.db2.gz XTNCILKLILPPHV-UHFFFAOYSA-N -1 3 380.474 0.085 20 0 GCADHM O=S(=O)(N[C@@H](CO)C1CC1)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826487344 607638137 /nfs/dbraw/zinc/63/81/37/607638137.db2.gz LSQAXSBJRJFJRK-JTQLQIEISA-N -1 3 377.348 0.935 20 0 GCADHM O=S(=O)(N[C@@H](CO)C1CC1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826487344 607638139 /nfs/dbraw/zinc/63/81/39/607638139.db2.gz LSQAXSBJRJFJRK-JTQLQIEISA-N -1 3 377.348 0.935 20 0 GCADHM O=S(=O)(N[C@@H](CO)C1CC1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826487031 607638196 /nfs/dbraw/zinc/63/81/96/607638196.db2.gz AQDOIZROOVENMN-NSHDSACASA-N -1 3 377.348 0.935 20 0 GCADHM O=S(=O)(N[C@@H](CO)C1CC1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826487031 607638198 /nfs/dbraw/zinc/63/81/98/607638198.db2.gz AQDOIZROOVENMN-NSHDSACASA-N -1 3 377.348 0.935 20 0 GCADHM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)C[C@H](O)C1CC1 ZINC000825892209 607638600 /nfs/dbraw/zinc/63/86/00/607638600.db2.gz HWTONOQXTSHJFU-HNNXBMFYSA-N -1 3 382.428 0.694 20 0 GCADHM CN(CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1)C[C@H](O)C1CC1 ZINC000825892209 607638602 /nfs/dbraw/zinc/63/86/02/607638602.db2.gz HWTONOQXTSHJFU-HNNXBMFYSA-N -1 3 382.428 0.694 20 0 GCADHM COc1ccccc1[C@H](CO)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826218964 607639458 /nfs/dbraw/zinc/63/94/58/607639458.db2.gz PJUGECSDQLNHBQ-ZDUSSCGKSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccccc1[C@H](CO)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826218964 607639460 /nfs/dbraw/zinc/63/94/60/607639460.db2.gz PJUGECSDQLNHBQ-ZDUSSCGKSA-N -1 3 375.410 0.887 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825011994 607639841 /nfs/dbraw/zinc/63/98/41/607639841.db2.gz BZLQKAWJOMETJY-MRVPVSSYSA-N -1 3 391.862 0.328 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NCC1(O)Cc2ccccc2C1 ZINC000826486568 607640172 /nfs/dbraw/zinc/64/01/72/607640172.db2.gz HNSKOLOPJRCEBF-UHFFFAOYSA-N -1 3 385.449 0.816 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NCC1(O)Cc2ccccc2C1 ZINC000826486568 607640174 /nfs/dbraw/zinc/64/01/74/607640174.db2.gz HNSKOLOPJRCEBF-UHFFFAOYSA-N -1 3 385.449 0.816 20 0 GCADHM O=S(=O)(NC[C@@H](O)C1CCOCC1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826489801 607640293 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CCOC[C@@H](O)CN1CCN(c2oc(-c3ccco3)nc2-c2nnn[n-]2)CC1 ZINC000825590471 607642790 /nfs/dbraw/zinc/64/27/90/607642790.db2.gz VPWSCAOTIBWAKR-LBPRGKRZSA-N -1 3 389.416 0.634 20 0 GCADHM CCOC[C@@H](O)CN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000825590471 607642792 /nfs/dbraw/zinc/64/27/92/607642792.db2.gz VPWSCAOTIBWAKR-LBPRGKRZSA-N -1 3 389.416 0.634 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826222535 607642870 /nfs/dbraw/zinc/64/28/70/607642870.db2.gz ZWESQLZRPAMGFW-QWRGUYRKSA-N -1 3 385.471 0.501 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826222535 607642871 /nfs/dbraw/zinc/64/28/71/607642871.db2.gz ZWESQLZRPAMGFW-QWRGUYRKSA-N -1 3 385.471 0.501 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000825581515 607644076 /nfs/dbraw/zinc/64/40/76/607644076.db2.gz BYUVRFVGFCRHJO-HUUCEWRRSA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000825581515 607644077 /nfs/dbraw/zinc/64/40/77/607644077.db2.gz BYUVRFVGFCRHJO-HUUCEWRRSA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000825581513 607644141 /nfs/dbraw/zinc/64/41/41/607644141.db2.gz BYUVRFVGFCRHJO-CABCVRRESA-N -1 3 393.469 0.807 20 0 GCADHM CCO[C@H]1C[C@@H](O)C12CCN(S(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000825581513 607644143 /nfs/dbraw/zinc/64/41/43/607644143.db2.gz BYUVRFVGFCRHJO-CABCVRRESA-N -1 3 393.469 0.807 20 0 GCADHM COc1cccc([C@H](CO)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826215479 607645677 /nfs/dbraw/zinc/64/56/77/607645677.db2.gz PTELCUNFZWSXHO-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COc1cccc([C@H](CO)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826215479 607645678 /nfs/dbraw/zinc/64/56/78/607645678.db2.gz PTELCUNFZWSXHO-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM C[C@@H](Oc1ccc(OS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1)C(N)=O ZINC000824738742 607646537 /nfs/dbraw/zinc/64/65/37/607646537.db2.gz 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C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC000824706779 607648276 /nfs/dbraw/zinc/64/82/76/607648276.db2.gz JHZUBDVFSDIYKN-MNOVXSKESA-N -1 3 384.437 0.081 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000824707190 607649165 /nfs/dbraw/zinc/64/91/65/607649165.db2.gz PCNRXPWCBAMPPV-CHWSQXEVSA-N -1 3 380.474 0.083 20 0 GCADHM C[C@@H](O)CN1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000824707190 607649167 /nfs/dbraw/zinc/64/91/67/607649167.db2.gz PCNRXPWCBAMPPV-CHWSQXEVSA-N -1 3 380.474 0.083 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCN1C[C@H](C)O ZINC000825210299 607652676 /nfs/dbraw/zinc/65/26/76/607652676.db2.gz GDYYLBIXRKTGFN-DZGCQCFKSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCN1C[C@H](C)O ZINC000825210299 607652678 /nfs/dbraw/zinc/65/26/78/607652678.db2.gz GDYYLBIXRKTGFN-DZGCQCFKSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825119292 607654255 /nfs/dbraw/zinc/65/42/55/607654255.db2.gz BXUFDWZHOOQLRY-HNNXBMFYSA-N -1 3 380.474 0.085 20 0 GCADHM CC[C@@H](CO)N1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825119292 607654256 /nfs/dbraw/zinc/65/42/56/607654256.db2.gz BXUFDWZHOOQLRY-HNNXBMFYSA-N -1 3 380.474 0.085 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CCN1C[C@@H](C)O ZINC000825212005 607650097 /nfs/dbraw/zinc/65/00/97/607650097.db2.gz PPPXSAVSTRCNEV-HIFRSBDPSA-N -1 3 394.501 0.641 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CCN1C[C@@H](C)O ZINC000825212005 607650099 /nfs/dbraw/zinc/65/00/99/607650099.db2.gz PPPXSAVSTRCNEV-HIFRSBDPSA-N -1 3 394.501 0.641 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000826249212 607650216 /nfs/dbraw/zinc/65/02/16/607650216.db2.gz QPSQWMKGVQMESY-UHFFFAOYSA-N -1 3 378.439 0.814 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000826249212 607650218 /nfs/dbraw/zinc/65/02/18/607650218.db2.gz QPSQWMKGVQMESY-UHFFFAOYSA-N -1 3 378.439 0.814 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCN1C[C@H](C)O ZINC000825211992 607650484 /nfs/dbraw/zinc/65/04/84/607650484.db2.gz PMCBWWJBFUZBNU-JSGCOSHPSA-N -1 3 380.474 0.332 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCN1C[C@H](C)O ZINC000825211992 607650485 /nfs/dbraw/zinc/65/04/85/607650485.db2.gz PMCBWWJBFUZBNU-JSGCOSHPSA-N -1 3 380.474 0.332 20 0 GCADHM Cc1c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438908729 607650737 /nfs/dbraw/zinc/65/07/37/607650737.db2.gz BFBRNUMXUBRECF-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM Cc1c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438908729 607650738 /nfs/dbraw/zinc/65/07/38/607650738.db2.gz BFBRNUMXUBRECF-UHFFFAOYSA-N -1 3 392.379 0.373 20 0 GCADHM CCS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000825662826 607654290 /nfs/dbraw/zinc/65/42/90/607654290.db2.gz BOUYLTDBDSHHKD-UHFFFAOYSA-N -1 3 378.458 0.719 20 0 GCADHM CCS(=O)(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000825662826 607654292 /nfs/dbraw/zinc/65/42/92/607654292.db2.gz BOUYLTDBDSHHKD-UHFFFAOYSA-N -1 3 378.458 0.719 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H](n2cncn2)C1 ZINC000826495513 607657082 /nfs/dbraw/zinc/65/70/82/607657082.db2.gz RVYZOGJRNGNFSM-NSHDSACASA-N -1 3 378.393 0.623 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826302670 607659229 /nfs/dbraw/zinc/65/92/29/607659229.db2.gz PMSLLJBXTMVDBM-LLVKDONJSA-N -1 3 378.458 0.853 20 0 GCADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826302670 607659231 /nfs/dbraw/zinc/65/92/31/607659231.db2.gz PMSLLJBXTMVDBM-LLVKDONJSA-N -1 3 378.458 0.853 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CN1C1CC1 ZINC000826478415 607661052 /nfs/dbraw/zinc/66/10/52/607661052.db2.gz BABUQWRAYBFDDH-SECBINFHSA-N -1 3 382.833 0.562 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CN1C1CC1 ZINC000826478415 607661054 /nfs/dbraw/zinc/66/10/54/607661054.db2.gz BABUQWRAYBFDDH-SECBINFHSA-N -1 3 382.833 0.562 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000826250263 607663788 /nfs/dbraw/zinc/66/37/88/607663788.db2.gz RYAIPQCFGKLTAR-UHFFFAOYSA-N -1 3 378.396 0.759 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)N(C)C ZINC000826231806 607664530 /nfs/dbraw/zinc/66/45/30/607664530.db2.gz AABXOSNCJGPFTA-SSDOTTSWSA-N -1 3 392.363 0.641 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000824992024 607664673 /nfs/dbraw/zinc/66/46/73/607664673.db2.gz IXUOURDZGGDHRW-GXTWGEPZSA-N -1 3 378.458 0.208 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000824992024 607664675 /nfs/dbraw/zinc/66/46/75/607664675.db2.gz IXUOURDZGGDHRW-GXTWGEPZSA-N -1 3 378.458 0.208 20 0 GCADHM CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826053813 607665327 /nfs/dbraw/zinc/66/53/27/607665327.db2.gz ZYDIQAMNSDVYSB-ZCFIWIBFSA-N -1 3 378.336 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/nfs/dbraw/zinc/66/89/56/607668956.db2.gz KAAMGRHXTWQYOQ-FZMZJTMJSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824967445 607668958 /nfs/dbraw/zinc/66/89/58/607668958.db2.gz KAAMGRHXTWQYOQ-FZMZJTMJSA-N -1 3 390.469 0.792 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)C(C)(C)C2)c1-c1nnn[n-]1 ZINC000826301636 607669733 /nfs/dbraw/zinc/66/97/33/607669733.db2.gz LBSVLIUOTMKFDB-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCS(=O)(=O)C(C)(C)C2)c1-c1nn[n-]n1 ZINC000826301636 607669734 /nfs/dbraw/zinc/66/97/34/607669734.db2.gz LBSVLIUOTMKFDB-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826389997 607671564 /nfs/dbraw/zinc/67/15/64/607671564.db2.gz NKNUCRQVCMGKKC-PWSUYJOCSA-N -1 3 382.421 0.718 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)[C@H]2CCCC[C@@H]2N1 ZINC000826481120 607671594 /nfs/dbraw/zinc/67/15/94/607671594.db2.gz IHOAJDADJGWPDG-RYUDHWBXSA-N -1 3 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CCOC(=O)Nc1ccc(NC(=O)CS(=O)(=O)CC)cc1-c1nnn[n-]1 ZINC000825532637 607761171 /nfs/dbraw/zinc/76/11/71/607761171.db2.gz VYNLJPGGJASWOK-UHFFFAOYSA-N -1 3 382.402 0.808 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)CS(=O)(=O)CC)cc1-c1nn[n-]n1 ZINC000825532637 607761172 /nfs/dbraw/zinc/76/11/72/607761172.db2.gz VYNLJPGGJASWOK-UHFFFAOYSA-N -1 3 382.402 0.808 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826174974 607763509 /nfs/dbraw/zinc/76/35/09/607763509.db2.gz OSLBDCLLBPNZCG-CYBMUJFWSA-N -1 3 398.427 0.784 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826174974 607763510 /nfs/dbraw/zinc/76/35/10/607763510.db2.gz OSLBDCLLBPNZCG-CYBMUJFWSA-N -1 3 398.427 0.784 20 0 GCADHM CS[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826226393 607764265 /nfs/dbraw/zinc/76/42/65/607764265.db2.gz YUKNKBDPQLJKML-NXEZZACHSA-N -1 3 384.487 0.401 20 0 GCADHM CS[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826226393 607764266 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CCOC(=O)Nc1ccc(NC(=O)N[C@@H]2CCCNC2=O)cc1-c1nn[n-]n1 ZINC000825538717 607767062 /nfs/dbraw/zinc/76/70/62/607767062.db2.gz JBMAICMGPHYJAZ-GFCCVEGCSA-N -1 3 388.388 0.835 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N2CCNC(=O)[C@H]2C)cc1-c1nnn[n-]1 ZINC000825538818 607767212 /nfs/dbraw/zinc/76/72/12/607767212.db2.gz KLXMYDYSMUEBHT-SECBINFHSA-N -1 3 388.388 0.787 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)N2CCNC(=O)[C@H]2C)cc1-c1nn[n-]n1 ZINC000825538818 607767213 /nfs/dbraw/zinc/76/72/13/607767213.db2.gz KLXMYDYSMUEBHT-SECBINFHSA-N -1 3 388.388 0.787 20 0 GCADHM O=C(CN1CC(=O)NC1=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826481487 607769378 /nfs/dbraw/zinc/76/93/78/607769378.db2.gz WPAAGVOJUKRZMS-UHFFFAOYSA-N -1 3 384.381 0.481 20 0 GCADHM COC(=O)[C@@H]1CCN(C[C@@H](O)COc2ccc(NC(C)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC000833706957 605684628 /nfs/dbraw/zinc/68/46/28/605684628.db2.gz JBBLLKRDXDOVHB-FRFSOERESA-N -1 3 394.424 0.723 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1cccc(F)c1C(=O)[O-])CN1CCN(C)CC1 ZINC000833517812 605919191 /nfs/dbraw/zinc/91/91/91/605919191.db2.gz SYXUZPBEFYAKGU-GFCCVEGCSA-N -1 3 380.420 0.462 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000821700177 606032532 /nfs/dbraw/zinc/03/25/32/606032532.db2.gz GFQCUHNTLOBBEA-UHFFFAOYSA-N -1 3 398.427 0.336 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000821700177 606032537 /nfs/dbraw/zinc/03/25/37/606032537.db2.gz GFQCUHNTLOBBEA-UHFFFAOYSA-N -1 3 398.427 0.336 20 0 GCADHM CC1CCN(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)CC1 ZINC000820727124 606043211 /nfs/dbraw/zinc/04/32/11/606043211.db2.gz GZICBFVQCZSPCR-UHFFFAOYSA-N -1 3 392.489 0.360 20 0 GCADHM CC1CCN(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CC1 ZINC000820727124 606043220 /nfs/dbraw/zinc/04/32/20/606043220.db2.gz GZICBFVQCZSPCR-UHFFFAOYSA-N -1 3 392.489 0.360 20 0 GCADHM Cn1cc(N2CCN(CCC(=O)Nc3sccc3-c3nnn[n-]3)CC2)cn1 ZINC000822684782 606049707 /nfs/dbraw/zinc/04/97/07/606049707.db2.gz IAXTVCCKSFJJSU-UHFFFAOYSA-N -1 3 387.473 0.813 20 0 GCADHM Cn1cc(N2CCN(CCC(=O)Nc3sccc3-c3nn[n-]n3)CC2)cn1 ZINC000822684782 606049713 /nfs/dbraw/zinc/04/97/13/606049713.db2.gz IAXTVCCKSFJJSU-UHFFFAOYSA-N -1 3 387.473 0.813 20 0 GCADHM O=C(c1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1)N1CCNC(=O)C1 ZINC000823536146 606053372 /nfs/dbraw/zinc/05/33/72/606053372.db2.gz UBAZUKMJCODKHE-UHFFFAOYSA-N -1 3 378.396 0.446 20 0 GCADHM O=C(c1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1)N1CCNC(=O)C1 ZINC000823536146 606053377 /nfs/dbraw/zinc/05/33/77/606053377.db2.gz UBAZUKMJCODKHE-UHFFFAOYSA-N -1 3 378.396 0.446 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(c2nccn2C)CC1 ZINC000819877221 606063020 /nfs/dbraw/zinc/06/30/20/606063020.db2.gz RDSFBVLMOYBADC-ZDUSSCGKSA-N -1 3 381.444 0.749 20 0 GCADHM O=S(=O)(CCNc1nc2ccccc2cc1-c1nnn[n-]1)N1CCOCC1 ZINC000823561816 606063675 /nfs/dbraw/zinc/06/36/75/606063675.db2.gz JZZZECSGRBOQSD-UHFFFAOYSA-N -1 3 389.441 0.489 20 0 GCADHM O=S(=O)(CCNc1nc2ccccc2cc1-c1nn[n-]n1)N1CCOCC1 ZINC000823561816 606063680 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0.571 20 0 GCADHM COC(=O)C[C@H]1CSCCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821660674 606083389 /nfs/dbraw/zinc/08/33/89/606083389.db2.gz ZMJCASHPRAEBLP-AWEZNQCLSA-N -1 3 390.469 0.463 20 0 GCADHM COC(=O)C[C@H]1CSCCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821660674 606083392 /nfs/dbraw/zinc/08/33/92/606083392.db2.gz ZMJCASHPRAEBLP-AWEZNQCLSA-N -1 3 390.469 0.463 20 0 GCADHM CCc1nc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000821509957 606086386 /nfs/dbraw/zinc/08/63/86/606086386.db2.gz QOIJZRZRWXEVHX-INIZCTEOSA-N -1 3 397.443 0.156 20 0 GCADHM CCc1nc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000821509957 606086390 /nfs/dbraw/zinc/08/63/90/606086390.db2.gz QOIJZRZRWXEVHX-INIZCTEOSA-N -1 3 397.443 0.156 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000819877321 606089839 /nfs/dbraw/zinc/08/98/39/606089839.db2.gz TWVRLHQSMFQJTR-LBPRGKRZSA-N -1 3 386.460 0.075 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(C(C)(C)C(N)=O)CC1 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NC(=O)c1cc(Cl)nnc1N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822880704 606136849 /nfs/dbraw/zinc/13/68/49/606136849.db2.gz ZASXZJPFGVQPLP-UHFFFAOYSA-N -1 3 386.807 0.131 20 0 GCADHM NC(=O)c1cc(Cl)nnc1N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822880704 606136850 /nfs/dbraw/zinc/13/68/50/606136850.db2.gz ZASXZJPFGVQPLP-UHFFFAOYSA-N -1 3 386.807 0.131 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822880678 606140827 /nfs/dbraw/zinc/14/08/27/606140827.db2.gz YHCHTSXWJCWIAB-UHFFFAOYSA-N -1 3 389.759 0.743 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)OCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822880678 606140828 /nfs/dbraw/zinc/14/08/28/606140828.db2.gz YHCHTSXWJCWIAB-UHFFFAOYSA-N -1 3 389.759 0.743 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820145991 606141433 /nfs/dbraw/zinc/14/14/33/606141433.db2.gz HYISZCMQUPKBFW-UHFFFAOYSA-N -1 3 380.474 0.744 20 0 GCADHM CC[C@H](C)[C@@H](NC(=O)COC(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000820861765 606142088 /nfs/dbraw/zinc/14/20/88/606142088.db2.gz NIGMTEKDYZWURS-MEDUHNTESA-N -1 3 389.412 0.656 20 0 GCADHM CC[C@H](C)[C@@H](NC(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000820861765 606142089 /nfs/dbraw/zinc/14/20/89/606142089.db2.gz NIGMTEKDYZWURS-MEDUHNTESA-N -1 3 389.412 0.656 20 0 GCADHM CCn1cnc(S(=O)(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1 ZINC000821566870 606143762 /nfs/dbraw/zinc/14/37/62/606143762.db2.gz YDHUKFAOQVHUBI-UHFFFAOYSA-N -1 3 388.457 0.594 20 0 GCADHM CCn1cnc(S(=O)(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1 ZINC000821566870 606143763 /nfs/dbraw/zinc/14/37/63/606143763.db2.gz YDHUKFAOQVHUBI-UHFFFAOYSA-N -1 3 388.457 0.594 20 0 GCADHM NC(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000822864692 606145594 /nfs/dbraw/zinc/14/55/94/606145594.db2.gz IJOSILYPPINION-VIFPVBQESA-N -1 3 384.849 0.796 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819797329 606145643 /nfs/dbraw/zinc/14/56/43/606145643.db2.gz ZTRLJBRHHSVUHU-GFCCVEGCSA-N -1 3 386.412 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GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000822218146 606152413 /nfs/dbraw/zinc/15/24/13/606152413.db2.gz YIPZRJROIVMZTG-AAEUAGOBSA-N -1 3 393.473 0.967 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820146606 606153164 /nfs/dbraw/zinc/15/31/64/606153164.db2.gz OYVIYBKMSMJBBE-MRXNPFEDSA-N -1 3 377.445 0.670 20 0 GCADHM CC(C)OCCOC[C@H](O)CN(C)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820146606 606153166 /nfs/dbraw/zinc/15/31/66/606153166.db2.gz OYVIYBKMSMJBBE-MRXNPFEDSA-N -1 3 377.445 0.670 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@]2(O)CCSC2)cc1 ZINC000822903215 606154078 /nfs/dbraw/zinc/15/40/78/606154078.db2.gz IBRYLLKKPYHIDD-MRXNPFEDSA-N -1 3 386.441 0.232 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@]2(O)CCSC2)cc1 ZINC000822903215 606154080 /nfs/dbraw/zinc/15/40/80/606154080.db2.gz IBRYLLKKPYHIDD-MRXNPFEDSA-N -1 3 386.441 0.232 20 0 GCADHM CCOC(=O)[C@H](CC)S(=O)(=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821315285 606154331 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GCADHM O=C1[C@H](N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCN1C1CCOCC1 ZINC000823504826 606159038 /nfs/dbraw/zinc/15/90/38/606159038.db2.gz VAOMJIIFDLBBRU-MRXNPFEDSA-N -1 3 398.471 0.164 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000821578067 606161358 /nfs/dbraw/zinc/16/13/58/606161358.db2.gz MBSYDZQQUSRYFV-UHFFFAOYSA-N -1 3 387.379 0.612 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000821578067 606161360 /nfs/dbraw/zinc/16/13/60/606161360.db2.gz MBSYDZQQUSRYFV-UHFFFAOYSA-N -1 3 387.379 0.612 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)Nc1cnn(CCN2CCOCC2)c1 ZINC000823246276 606162054 /nfs/dbraw/zinc/16/20/54/606162054.db2.gz JIUCMCXTYBBJSN-UHFFFAOYSA-N -1 3 397.443 0.717 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000821691483 606162266 /nfs/dbraw/zinc/16/22/66/606162266.db2.gz WBCNMFHJUYAALV-UHFFFAOYSA-N -1 3 399.415 0.148 20 0 GCADHM COCCNC(=O)Cn1cc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821691483 606162267 /nfs/dbraw/zinc/16/22/67/606162267.db2.gz WBCNMFHJUYAALV-UHFFFAOYSA-N -1 3 399.415 0.148 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)Nc1cnn(CCN2CCOCC2)c1 ZINC000823257256 606162386 /nfs/dbraw/zinc/16/23/86/606162386.db2.gz GJDPOGDXJNFLDY-UHFFFAOYSA-N -1 3 397.443 0.717 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)Nc1cnn(CCN2CCOCC2)c1 ZINC000823257256 606162388 /nfs/dbraw/zinc/16/23/88/606162388.db2.gz GJDPOGDXJNFLDY-UHFFFAOYSA-N -1 3 397.443 0.717 20 0 GCADHM NC(=O)C1CCC(NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC1 ZINC000822860543 606163694 /nfs/dbraw/zinc/16/36/94/606163694.db2.gz XWXDJIWZAUVPCA-UHFFFAOYSA-N -1 3 399.459 0.137 20 0 GCADHM NC(=O)C1CCC(NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC1 ZINC000822860543 606163695 /nfs/dbraw/zinc/16/36/95/606163695.db2.gz XWXDJIWZAUVPCA-UHFFFAOYSA-N -1 3 399.459 0.137 20 0 GCADHM COc1cc(CN2CCN(c3nccnc3-c3nnn[n-]3)CC2)cc(OC)c1 ZINC000821717290 606164817 /nfs/dbraw/zinc/16/48/17/606164817.db2.gz NDPOYNRVNUQRBF-UHFFFAOYSA-N -1 3 382.428 0.996 20 0 GCADHM COc1cc(CN2CCN(c3nccnc3-c3nn[n-]n3)CC2)cc(OC)c1 ZINC000821717290 606164819 /nfs/dbraw/zinc/16/48/19/606164819.db2.gz NDPOYNRVNUQRBF-UHFFFAOYSA-N -1 3 382.428 0.996 20 0 GCADHM C[C@@H](c1cccnc1)N1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000820570910 606165181 /nfs/dbraw/zinc/16/51/81/606165181.db2.gz TYURWCBQGUDIKX-LBPRGKRZSA-N -1 3 382.432 0.906 20 0 GCADHM O=C1[C@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)CCN1C1CCOCC1 ZINC000823512125 606168656 /nfs/dbraw/zinc/16/86/56/606168656.db2.gz KXTLWVKLWXORIS-CQSZACIVSA-N -1 3 387.469 0.933 20 0 GCADHM O=C1[C@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)CCN1C1CCOCC1 ZINC000823512125 606168657 /nfs/dbraw/zinc/16/86/57/606168657.db2.gz KXTLWVKLWXORIS-CQSZACIVSA-N -1 3 387.469 0.933 20 0 GCADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccccc2CN2CCOCC2)n1 ZINC000822619815 606169438 /nfs/dbraw/zinc/16/94/38/606169438.db2.gz GSJKGIZPSDECCK-UHFFFAOYSA-N -1 3 397.443 0.754 20 0 GCADHM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2CN2CCOCC2)n1 ZINC000822619815 606169439 /nfs/dbraw/zinc/16/94/39/606169439.db2.gz GSJKGIZPSDECCK-UHFFFAOYSA-N -1 3 397.443 0.754 20 0 GCADHM O=C(NCC1(CO)CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823171246 606170217 /nfs/dbraw/zinc/17/02/17/606170217.db2.gz RLQTVJAVKFOGPP-UHFFFAOYSA-N -1 3 384.318 0.713 20 0 GCADHM O=C(NCC1(CO)CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823171246 606170218 /nfs/dbraw/zinc/17/02/18/606170218.db2.gz RLQTVJAVKFOGPP-UHFFFAOYSA-N -1 3 384.318 0.713 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC1=O ZINC000820126554 606173491 /nfs/dbraw/zinc/17/34/91/606173491.db2.gz AFJFNVAPVVJYRL-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)N1C[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC1=O ZINC000820126554 606173493 /nfs/dbraw/zinc/17/34/93/606173493.db2.gz AFJFNVAPVVJYRL-AWEZNQCLSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)(C)N1C[C@H](NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000819913859 606173656 /nfs/dbraw/zinc/17/36/56/606173656.db2.gz FWDWEWBOJDKATC-CYBMUJFWSA-N -1 3 387.444 0.944 20 0 GCADHM CC(C)N1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CC1=O ZINC000820126589 606174255 /nfs/dbraw/zinc/17/42/55/606174255.db2.gz APGXTIRKQYYSFM-CYBMUJFWSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)N1C[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CC1=O ZINC000820126589 606174257 /nfs/dbraw/zinc/17/42/57/606174257.db2.gz APGXTIRKQYYSFM-CYBMUJFWSA-N -1 3 399.459 0.103 20 0 GCADHM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821675484 606177215 /nfs/dbraw/zinc/17/72/15/606177215.db2.gz MGMWJHDWTGPKPA-VIFPVBQESA-N -1 3 379.402 0.778 20 0 GCADHM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821675484 606177217 /nfs/dbraw/zinc/17/72/17/606177217.db2.gz MGMWJHDWTGPKPA-VIFPVBQESA-N -1 3 379.402 0.778 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(Cc3cn4ccccc4c3-c3nnn[n-]3)C2=O)cn1 ZINC000822673965 606177448 /nfs/dbraw/zinc/17/74/48/606177448.db2.gz HUVPBUMCVRQYAD-ZDUSSCGKSA-N -1 3 390.407 0.971 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(Cc3cn4ccccc4c3-c3nn[n-]n3)C2=O)cn1 ZINC000822673965 606177449 /nfs/dbraw/zinc/17/74/49/606177449.db2.gz HUVPBUMCVRQYAD-ZDUSSCGKSA-N -1 3 390.407 0.971 20 0 GCADHM CCCCC(=O)N1CSC[C@@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000821040714 606178979 /nfs/dbraw/zinc/17/89/79/606178979.db2.gz QEUNOOVEUVRXAW-LLVKDONJSA-N -1 3 394.461 0.280 20 0 GCADHM CCCCC(=O)N1CSC[C@@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000821040714 606178981 /nfs/dbraw/zinc/17/89/81/606178981.db2.gz QEUNOOVEUVRXAW-LLVKDONJSA-N -1 3 394.461 0.280 20 0 GCADHM O=C(CN1C(=O)C[C@]2(CCSC2)C1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822992168 606182495 /nfs/dbraw/zinc/18/24/95/606182495.db2.gz JYVDOVKGXOCQJL-KRWDZBQOSA-N -1 3 386.437 0.365 20 0 GCADHM O=C(CN1C(=O)C[C@]2(CCSC2)C1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822992168 606182496 /nfs/dbraw/zinc/18/24/96/606182496.db2.gz JYVDOVKGXOCQJL-KRWDZBQOSA-N -1 3 386.437 0.365 20 0 GCADHM C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819877073 606184724 /nfs/dbraw/zinc/18/47/24/606184724.db2.gz NXTLMZIOTRIBFH-NSHDSACASA-N -1 3 388.428 0.785 20 0 GCADHM C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819877073 606184727 /nfs/dbraw/zinc/18/47/27/606184727.db2.gz NXTLMZIOTRIBFH-NSHDSACASA-N -1 3 388.428 0.785 20 0 GCADHM CCN1C(=O)[C@H]2CN([C@H](C)C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCN2C1=O ZINC000821242283 606186156 /nfs/dbraw/zinc/18/61/56/606186156.db2.gz RHGBKHRSOVZZHJ-BXUZGUMPSA-N -1 3 398.427 0.162 20 0 GCADHM CCN1C(=O)[C@H]2CN([C@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCN2C1=O ZINC000821242283 606186157 /nfs/dbraw/zinc/18/61/57/606186157.db2.gz RHGBKHRSOVZZHJ-BXUZGUMPSA-N -1 3 398.427 0.162 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCCNC1=O ZINC000821605076 606187814 /nfs/dbraw/zinc/18/78/14/606187814.db2.gz UJRBZLMIYKPGEX-AWEZNQCLSA-N -1 3 378.458 0.241 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCCNC1=O ZINC000821605076 606187815 /nfs/dbraw/zinc/18/78/15/606187815.db2.gz UJRBZLMIYKPGEX-AWEZNQCLSA-N 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ZINC000821604975 606190191 /nfs/dbraw/zinc/19/01/91/606190191.db2.gz PKGRRPCJAHULHF-LBPRGKRZSA-N -1 3 399.498 0.007 20 0 GCADHM C[C@@H]1CN=C(N2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)S1 ZINC000820803999 606198089 /nfs/dbraw/zinc/19/80/89/606198089.db2.gz KWKJLFBYOAOZMI-GFCCVEGCSA-N -1 3 386.485 0.914 20 0 GCADHM C[C@@H]1CN=C(N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)S1 ZINC000820803999 606198090 /nfs/dbraw/zinc/19/80/90/606198090.db2.gz KWKJLFBYOAOZMI-GFCCVEGCSA-N -1 3 386.485 0.914 20 0 GCADHM Cc1nc2n(n1)CCN(C(=O)c1ccc(-n3ncc(-c4nnn[n-]4)c3N)cc1)C2 ZINC000822464034 606202879 /nfs/dbraw/zinc/20/28/79/606202879.db2.gz YREVIZMCVDHAIZ-UHFFFAOYSA-N -1 3 391.399 0.191 20 0 GCADHM Cc1nc2n(n1)CCN(C(=O)c1ccc(-n3ncc(-c4nn[n-]n4)c3N)cc1)C2 ZINC000822464034 606202880 /nfs/dbraw/zinc/20/28/80/606202880.db2.gz YREVIZMCVDHAIZ-UHFFFAOYSA-N -1 3 391.399 0.191 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000822623493 606210595 /nfs/dbraw/zinc/21/05/95/606210595.db2.gz YADDUCRKMVRGJU-STQMWFEESA-N -1 3 394.457 0.014 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000822623493 606210597 /nfs/dbraw/zinc/21/05/97/606210597.db2.gz YADDUCRKMVRGJU-STQMWFEESA-N -1 3 394.457 0.014 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000822623486 606210774 /nfs/dbraw/zinc/21/07/74/606210774.db2.gz YADDUCRKMVRGJU-CHWSQXEVSA-N -1 3 394.457 0.014 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000822623486 606210775 /nfs/dbraw/zinc/21/07/75/606210775.db2.gz YADDUCRKMVRGJU-CHWSQXEVSA-N -1 3 394.457 0.014 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000822637393 606212320 /nfs/dbraw/zinc/21/23/20/606212320.db2.gz PVGZGDNPEFWYSK-UHFFFAOYSA-N -1 3 379.302 0.991 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000822637393 606212322 /nfs/dbraw/zinc/21/23/22/606212322.db2.gz PVGZGDNPEFWYSK-UHFFFAOYSA-N -1 3 379.302 0.991 20 0 GCADHM COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821662503 606215029 /nfs/dbraw/zinc/21/50/29/606215029.db2.gz FTZSFONXABSQHF-UHFFFAOYSA-N -1 3 383.368 0.360 20 0 GCADHM COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821662503 606215031 /nfs/dbraw/zinc/21/50/31/606215031.db2.gz FTZSFONXABSQHF-UHFFFAOYSA-N -1 3 383.368 0.360 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000822649420 606217459 /nfs/dbraw/zinc/21/74/59/606217459.db2.gz ALXXMLVZYSVIOE-UHFFFAOYSA-N -1 3 387.425 0.997 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000822649420 606217460 /nfs/dbraw/zinc/21/74/60/606217460.db2.gz ALXXMLVZYSVIOE-UHFFFAOYSA-N -1 3 387.425 0.997 20 0 GCADHM COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)cc1 ZINC000821769720 606219906 /nfs/dbraw/zinc/21/99/06/606219906.db2.gz KBGGQJSBIKBUIY-UHFFFAOYSA-N -1 3 395.423 0.812 20 0 GCADHM COc1ccc(C(=O)N2CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)cc1 ZINC000821769720 606219908 /nfs/dbraw/zinc/21/99/08/606219908.db2.gz KBGGQJSBIKBUIY-UHFFFAOYSA-N -1 3 395.423 0.812 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OCC[C@@H]1CCCC1=O ZINC000823009708 606227057 /nfs/dbraw/zinc/22/70/57/606227057.db2.gz QPDGVWDVWXWGIV-NSHDSACASA-N -1 3 393.425 0.448 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OCC[C@@H]1CCCC1=O ZINC000823009708 606227058 /nfs/dbraw/zinc/22/70/58/606227058.db2.gz QPDGVWDVWXWGIV-NSHDSACASA-N -1 3 393.425 0.448 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)C[C@H](O)CN1CCOCC1 ZINC000822332297 606229607 /nfs/dbraw/zinc/22/96/07/606229607.db2.gz NEMZEOZBMCHASU-AWEZNQCLSA-N -1 3 383.456 0.853 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)C[C@H](O)CN1CCOCC1 ZINC000822332297 606229609 /nfs/dbraw/zinc/22/96/09/606229609.db2.gz NEMZEOZBMCHASU-AWEZNQCLSA-N -1 3 383.456 0.853 20 0 GCADHM CN(C[C@H](O)CN1CCOCC1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000821594841 606229988 /nfs/dbraw/zinc/22/99/88/606229988.db2.gz DQYHTMOGUBYITH-JTQLQIEISA-N -1 3 387.366 0.410 20 0 GCADHM CN(C[C@H](O)CN1CCOCC1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000821594841 606229989 /nfs/dbraw/zinc/22/99/89/606229989.db2.gz DQYHTMOGUBYITH-JTQLQIEISA-N -1 3 387.366 0.410 20 0 GCADHM CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821936549 606231806 /nfs/dbraw/zinc/23/18/06/606231806.db2.gz BRDVQSXHPPNZSZ-UHFFFAOYSA-N -1 3 390.381 0.394 20 0 GCADHM CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821936549 606231807 /nfs/dbraw/zinc/23/18/07/606231807.db2.gz BRDVQSXHPPNZSZ-UHFFFAOYSA-N -1 3 390.381 0.394 20 0 GCADHM CCc1ccccc1NC(=O)CNC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821497115 606232776 /nfs/dbraw/zinc/23/27/76/606232776.db2.gz PCHZKZBWHNJVAO-UHFFFAOYSA-N -1 3 397.395 0.669 20 0 GCADHM CCc1ccccc1NC(=O)CNC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821497115 606232778 /nfs/dbraw/zinc/23/27/78/606232778.db2.gz PCHZKZBWHNJVAO-UHFFFAOYSA-N -1 3 397.395 0.669 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821655547 606232820 /nfs/dbraw/zinc/23/28/20/606232820.db2.gz NFICFGZBPHXGBK-VIFPVBQESA-N -1 3 376.373 0.152 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000821655547 606232821 /nfs/dbraw/zinc/23/28/21/606232821.db2.gz NFICFGZBPHXGBK-VIFPVBQESA-N -1 3 376.373 0.152 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000821320456 606232843 /nfs/dbraw/zinc/23/28/43/606232843.db2.gz NHFCHXAOTFPCOJ-WDEREUQCSA-N -1 3 390.400 0.542 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000821320456 606232844 /nfs/dbraw/zinc/23/28/44/606232844.db2.gz NHFCHXAOTFPCOJ-WDEREUQCSA-N -1 3 390.400 0.542 20 0 GCADHM CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC000819933291 606235174 /nfs/dbraw/zinc/23/51/74/606235174.db2.gz MOWNUXNCROSNII-GFCCVEGCSA-N -1 3 376.373 0.930 20 0 GCADHM CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC000819933291 606235176 /nfs/dbraw/zinc/23/51/76/606235176.db2.gz MOWNUXNCROSNII-GFCCVEGCSA-N -1 3 376.373 0.930 20 0 GCADHM CCn1cncc1S(=O)(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821566771 606235390 /nfs/dbraw/zinc/23/53/90/606235390.db2.gz SQLCAPZUTLKROX-UHFFFAOYSA-N -1 3 388.457 0.594 20 0 GCADHM CCn1cncc1S(=O)(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821566771 606235391 /nfs/dbraw/zinc/23/53/91/606235391.db2.gz SQLCAPZUTLKROX-UHFFFAOYSA-N -1 3 388.457 0.594 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000822222921 606239103 /nfs/dbraw/zinc/23/91/03/606239103.db2.gz YDBSDINULSCRCJ-HIFRSBDPSA-N -1 3 392.485 0.516 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000822222921 606239105 /nfs/dbraw/zinc/23/91/05/606239105.db2.gz YDBSDINULSCRCJ-HIFRSBDPSA-N -1 3 392.485 0.516 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCc1nnc2ccccn21 ZINC000822223702 606239169 /nfs/dbraw/zinc/23/91/69/606239169.db2.gz GXKYVPQBQDVAGK-UHFFFAOYSA-N -1 3 384.425 0.739 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCc1nnc2ccccn21 ZINC000822223702 606239170 /nfs/dbraw/zinc/23/91/70/606239170.db2.gz GXKYVPQBQDVAGK-UHFFFAOYSA-N -1 3 384.425 0.739 20 0 GCADHM Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822673842 606239713 /nfs/dbraw/zinc/23/97/13/606239713.db2.gz CZGUTYGRWVCRJI-CQSZACIVSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc([C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822673842 606239715 /nfs/dbraw/zinc/23/97/15/606239715.db2.gz CZGUTYGRWVCRJI-CQSZACIVSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CCO2)cn1 ZINC000822674020 606239726 /nfs/dbraw/zinc/23/97/26/606239726.db2.gz JQLMXTFMFMZBIR-ZDUSSCGKSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CCO2)cn1 ZINC000822674020 606239727 /nfs/dbraw/zinc/23/97/27/606239727.db2.gz JQLMXTFMFMZBIR-ZDUSSCGKSA-N -1 3 375.414 0.362 20 0 GCADHM Cn1cc([C@H]2CN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822673900 606239742 /nfs/dbraw/zinc/23/97/42/606239742.db2.gz FWPGZUKVZAELHH-OAHLLOKOSA-N -1 3 389.441 0.504 20 0 GCADHM Cn1cc([C@H]2CN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822673900 606239744 /nfs/dbraw/zinc/23/97/44/606239744.db2.gz FWPGZUKVZAELHH-OAHLLOKOSA-N -1 3 389.441 0.504 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000822641649 606249073 /nfs/dbraw/zinc/24/90/73/606249073.db2.gz VPPXTYADMBBFMW-UHFFFAOYSA-N -1 3 390.425 0.418 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000822641649 606249075 /nfs/dbraw/zinc/24/90/75/606249075.db2.gz VPPXTYADMBBFMW-UHFFFAOYSA-N -1 3 390.425 0.418 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000820703333 606252329 /nfs/dbraw/zinc/25/23/29/606252329.db2.gz DRNSJLLRCSIMTA-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000820703333 606252331 /nfs/dbraw/zinc/25/23/31/606252331.db2.gz DRNSJLLRCSIMTA-CYBMUJFWSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000820703336 606252348 /nfs/dbraw/zinc/25/23/48/606252348.db2.gz DRNSJLLRCSIMTA-ZDUSSCGKSA-N -1 3 386.460 0.354 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000820703336 606252350 /nfs/dbraw/zinc/25/23/50/606252350.db2.gz DRNSJLLRCSIMTA-ZDUSSCGKSA-N -1 3 386.460 0.354 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000819933504 606259123 /nfs/dbraw/zinc/25/91/23/606259123.db2.gz UETRPXABRAPVPM-UHFFFAOYSA-N -1 3 390.448 0.477 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000819933504 606259124 /nfs/dbraw/zinc/25/91/24/606259124.db2.gz UETRPXABRAPVPM-UHFFFAOYSA-N -1 3 390.448 0.477 20 0 GCADHM O=C(COc1ccc(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1)NC1CC1 ZINC000823040549 606259347 /nfs/dbraw/zinc/25/93/47/606259347.db2.gz NLSRWMSUNHJBFA-UHFFFAOYSA-N -1 3 395.423 0.825 20 0 GCADHM O=C(COc1ccc(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1)NC1CC1 ZINC000823040549 606259348 /nfs/dbraw/zinc/25/93/48/606259348.db2.gz NLSRWMSUNHJBFA-UHFFFAOYSA-N -1 3 395.423 0.825 20 0 GCADHM Cc1[nH]nc2ncc(NC(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)cc12 ZINC000822419040 606262867 /nfs/dbraw/zinc/26/28/67/606262867.db2.gz LMMWTDNULCJUOE-UHFFFAOYSA-N -1 3 377.368 0.815 20 0 GCADHM Cc1[nH]nc2ncc(NC(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)cc12 ZINC000822419040 606262870 /nfs/dbraw/zinc/26/28/70/606262870.db2.gz LMMWTDNULCJUOE-UHFFFAOYSA-N -1 3 377.368 0.815 20 0 GCADHM CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(S(N)(=O)=O)c1 ZINC000820919963 606269397 /nfs/dbraw/zinc/26/93/97/606269397.db2.gz IJZCWXDRYFBOAT-LBPRGKRZSA-N -1 3 375.414 0.723 20 0 GCADHM CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccc(S(N)(=O)=O)c1 ZINC000820919963 606269399 /nfs/dbraw/zinc/26/93/99/606269399.db2.gz IJZCWXDRYFBOAT-LBPRGKRZSA-N -1 3 375.414 0.723 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000822627041 606277078 /nfs/dbraw/zinc/27/70/78/606277078.db2.gz ICMHJXPBTBUDML-UHFFFAOYSA-N -1 3 394.439 0.602 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000822627041 606277080 /nfs/dbraw/zinc/27/70/80/606277080.db2.gz ICMHJXPBTBUDML-UHFFFAOYSA-N -1 3 394.439 0.602 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000823467600 606277728 /nfs/dbraw/zinc/27/77/28/606277728.db2.gz YODUNKKENJZJDU-HNNXBMFYSA-N -1 3 397.439 0.393 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000823467600 606277731 /nfs/dbraw/zinc/27/77/31/606277731.db2.gz YODUNKKENJZJDU-HNNXBMFYSA-N -1 3 397.439 0.393 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000823466188 606277898 /nfs/dbraw/zinc/27/78/98/606277898.db2.gz FVUIBVXCOFPTDP-UHFFFAOYSA-N -1 3 383.416 0.803 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000823466188 606277900 /nfs/dbraw/zinc/27/79/00/606277900.db2.gz FVUIBVXCOFPTDP-UHFFFAOYSA-N -1 3 383.416 0.803 20 0 GCADHM CNS(=O)(=O)c1cccc(CNC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821637916 606278026 /nfs/dbraw/zinc/27/80/26/606278026.db2.gz ZDLIDQLLBAUKSK-UHFFFAOYSA-N -1 3 375.414 0.043 20 0 GCADHM CNS(=O)(=O)c1cccc(CNC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821637916 606278027 /nfs/dbraw/zinc/27/80/27/606278027.db2.gz ZDLIDQLLBAUKSK-UHFFFAOYSA-N -1 3 375.414 0.043 20 0 GCADHM COC(=O)c1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ccn1 ZINC000821666889 606281589 /nfs/dbraw/zinc/28/15/89/606281589.db2.gz LAZLULAJKMCJIF-UHFFFAOYSA-N -1 3 394.395 0.406 20 0 GCADHM COC(=O)c1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ccn1 ZINC000821666889 606281591 /nfs/dbraw/zinc/28/15/91/606281591.db2.gz LAZLULAJKMCJIF-UHFFFAOYSA-N -1 3 394.395 0.406 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000822627373 606281895 /nfs/dbraw/zinc/28/18/95/606281895.db2.gz MYCDCFWYERXTHX-GFCCVEGCSA-N -1 3 381.462 0.139 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000822627373 606281896 /nfs/dbraw/zinc/28/18/96/606281896.db2.gz MYCDCFWYERXTHX-GFCCVEGCSA-N -1 3 381.462 0.139 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000822636307 606282541 /nfs/dbraw/zinc/28/25/41/606282541.db2.gz CJALUJBHPZMFKK-INIZCTEOSA-N -1 3 377.474 0.143 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000822636307 606282543 /nfs/dbraw/zinc/28/25/43/606282543.db2.gz CJALUJBHPZMFKK-INIZCTEOSA-N -1 3 377.474 0.143 20 0 GCADHM Cn1cc(C(=O)NCC2CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)cn1 ZINC000822669123 606285373 /nfs/dbraw/zinc/28/53/73/606285373.db2.gz GJXYLFBPNDXKCV-UHFFFAOYSA-N -1 3 397.443 0.221 20 0 GCADHM Cn1cc(C(=O)NCC2CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)cn1 ZINC000822669123 606285375 /nfs/dbraw/zinc/28/53/75/606285375.db2.gz GJXYLFBPNDXKCV-UHFFFAOYSA-N -1 3 397.443 0.221 20 0 GCADHM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821637776 606285777 /nfs/dbraw/zinc/28/57/77/606285777.db2.gz SWOFXFAIBXMVNV-JTQLQIEISA-N -1 3 389.441 0.604 20 0 GCADHM CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821637776 606285778 /nfs/dbraw/zinc/28/57/78/606285778.db2.gz SWOFXFAIBXMVNV-JTQLQIEISA-N -1 3 389.441 0.604 20 0 GCADHM NC(=O)NC1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822873513 606287083 /nfs/dbraw/zinc/28/70/83/606287083.db2.gz DPQAZLNPCSGNLO-HNNXBMFYSA-N -1 3 384.444 0.495 20 0 GCADHM CCOc1ccnc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)n1 ZINC000821436968 606287406 /nfs/dbraw/zinc/28/74/06/606287406.db2.gz IISSOMRJMWOADQ-UHFFFAOYSA-N -1 3 383.416 0.356 20 0 GCADHM CCOc1ccnc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)n1 ZINC000821436968 606287408 /nfs/dbraw/zinc/28/74/08/606287408.db2.gz IISSOMRJMWOADQ-UHFFFAOYSA-N -1 3 383.416 0.356 20 0 GCADHM C[C@@]1(C2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)NC(=O)NC1=O ZINC000820613181 606288580 /nfs/dbraw/zinc/28/85/80/606288580.db2.gz VVESPMNXQHPTJV-SFHVURJKSA-N -1 3 399.411 0.082 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC[C@H](O)C(F)(F)F)cc1 ZINC000822903354 606291843 /nfs/dbraw/zinc/29/18/43/606291843.db2.gz JLNJQRQWFYLPDE-JTQLQIEISA-N -1 3 382.306 0.288 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC[C@H](O)C(F)(F)F)cc1 ZINC000822903354 606291845 /nfs/dbraw/zinc/29/18/45/606291845.db2.gz JLNJQRQWFYLPDE-JTQLQIEISA-N -1 3 382.306 0.288 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000820542989 606294149 /nfs/dbraw/zinc/29/41/49/606294149.db2.gz SMDVYASNKGFCME-BLLLJJGKSA-N -1 3 383.412 0.968 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000820542989 606294150 /nfs/dbraw/zinc/29/41/50/606294150.db2.gz SMDVYASNKGFCME-BLLLJJGKSA-N -1 3 383.412 0.968 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000820542991 606294201 /nfs/dbraw/zinc/29/42/01/606294201.db2.gz SMDVYASNKGFCME-MLGOLLRUSA-N -1 3 383.412 0.968 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000820542991 606294202 /nfs/dbraw/zinc/29/42/02/606294202.db2.gz SMDVYASNKGFCME-MLGOLLRUSA-N -1 3 383.412 0.968 20 0 GCADHM CC(C)C(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000820011421 606297601 /nfs/dbraw/zinc/29/76/01/606297601.db2.gz MIWNKSRNTQNQFS-CYBMUJFWSA-N -1 3 389.485 0.834 20 0 GCADHM CC(C)C(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000820011421 606297602 /nfs/dbraw/zinc/29/76/02/606297602.db2.gz MIWNKSRNTQNQFS-CYBMUJFWSA-N -1 3 389.485 0.834 20 0 GCADHM O=C1[C@@H]2CCCCN2C(=O)N1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823520817 606308205 /nfs/dbraw/zinc/30/82/05/606308205.db2.gz NQBOWUJWSGKWCN-ZDUSSCGKSA-N -1 3 390.425 0.457 20 0 GCADHM O=C1[C@@H]2CCCCN2C(=O)N1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823520817 606308207 /nfs/dbraw/zinc/30/82/07/606308207.db2.gz NQBOWUJWSGKWCN-ZDUSSCGKSA-N -1 3 390.425 0.457 20 0 GCADHM O=S(=O)(CCSc1nnnn1C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823561683 606308739 /nfs/dbraw/zinc/30/87/39/606308739.db2.gz IUPVKYUWUBUSDI-UHFFFAOYSA-N -1 3 378.443 0.754 20 0 GCADHM O=S(=O)(CCSc1nnnn1C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823561683 606308741 /nfs/dbraw/zinc/30/87/41/606308741.db2.gz IUPVKYUWUBUSDI-UHFFFAOYSA-N -1 3 378.443 0.754 20 0 GCADHM O=C1[C@@H](NCc2nnc3n2CCCC3)CCN1c1sccc1-c1nnn[n-]1 ZINC000823512627 606308945 /nfs/dbraw/zinc/30/89/45/606308945.db2.gz PTMRQBZUOGHDHH-NSHDSACASA-N -1 3 385.457 0.751 20 0 GCADHM O=C1[C@@H](NCc2nnc3n2CCCC3)CCN1c1sccc1-c1nn[n-]n1 ZINC000823512627 606308946 /nfs/dbraw/zinc/30/89/46/606308946.db2.gz PTMRQBZUOGHDHH-NSHDSACASA-N -1 3 385.457 0.751 20 0 GCADHM CCCC[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821042652 606309401 /nfs/dbraw/zinc/30/94/01/606309401.db2.gz GTBGKGMITFFMIU-ZDUSSCGKSA-N -1 3 392.441 0.751 20 0 GCADHM CCCC[C@@H]1NC(=O)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821042652 606309402 /nfs/dbraw/zinc/30/94/02/606309402.db2.gz GTBGKGMITFFMIU-ZDUSSCGKSA-N -1 3 392.441 0.751 20 0 GCADHM Cn1c(Cl)cnc1C[S@](=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822599585 606310174 /nfs/dbraw/zinc/31/01/74/606310174.db2.gz FYVZKALSNHBTLE-SANMLTNESA-N -1 3 393.860 0.819 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1nc(-c2nc[nH]n2)no1 ZINC000820533619 606310561 /nfs/dbraw/zinc/31/05/61/606310561.db2.gz GXHYKFROYWNUKX-QMMMGPOBSA-N -1 3 383.328 0.546 20 0 GCADHM Nc1nc(N)nc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n1 ZINC000822907214 606311340 /nfs/dbraw/zinc/31/13/40/606311340.db2.gz BNTRQVZDRMPIDL-LURJTMIESA-N -1 3 376.431 0.175 20 0 GCADHM Nc1nc(N)nc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n1 ZINC000822907214 606311341 /nfs/dbraw/zinc/31/13/41/606311341.db2.gz BNTRQVZDRMPIDL-LURJTMIESA-N -1 3 376.431 0.175 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN(C2CC2)C(=O)C1 ZINC000822917992 606311680 /nfs/dbraw/zinc/31/16/80/606311680.db2.gz XCINNVDNIZELQG-MRXNPFEDSA-N -1 3 381.440 0.669 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN(C2CC2)C(=O)C1 ZINC000822917991 606311689 /nfs/dbraw/zinc/31/16/89/606311689.db2.gz XCINNVDNIZELQG-INIZCTEOSA-N -1 3 381.440 0.669 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCN(c2ncccn2)CC1 ZINC000821652790 606314695 /nfs/dbraw/zinc/31/46/95/606314695.db2.gz ZTUHOYGKJMWBPH-OAHLLOKOSA-N -1 3 380.412 0.693 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCN(c2ncccn2)CC1 ZINC000821652790 606314697 /nfs/dbraw/zinc/31/46/97/606314697.db2.gz ZTUHOYGKJMWBPH-OAHLLOKOSA-N -1 3 380.412 0.693 20 0 GCADHM O=C(C1CC1)N1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000822912204 606315074 /nfs/dbraw/zinc/31/50/74/606315074.db2.gz QZNIUUFHVNFTIE-CYBMUJFWSA-N -1 3 387.469 0.588 20 0 GCADHM O=C(C1CC1)N1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000822912204 606315076 /nfs/dbraw/zinc/31/50/76/606315076.db2.gz QZNIUUFHVNFTIE-CYBMUJFWSA-N -1 3 387.469 0.588 20 0 GCADHM O=C1[C@@H](N2CCN(c3cnccn3)CC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503553 606316413 /nfs/dbraw/zinc/31/64/13/606316413.db2.gz GVVTUQBNJUMOPM-ZDUSSCGKSA-N -1 3 397.468 0.646 20 0 GCADHM O=C1[C@@H](N2CCN(c3cnccn3)CC2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503553 606316415 /nfs/dbraw/zinc/31/64/15/606316415.db2.gz GVVTUQBNJUMOPM-ZDUSSCGKSA-N -1 3 397.468 0.646 20 0 GCADHM CC(=O)NC1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000819802506 606317026 /nfs/dbraw/zinc/31/70/26/606317026.db2.gz DSFWTETXIPKZMR-ZDUSSCGKSA-N -1 3 375.458 0.634 20 0 GCADHM CC(=O)NC1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000819802506 606317028 /nfs/dbraw/zinc/31/70/28/606317028.db2.gz DSFWTETXIPKZMR-ZDUSSCGKSA-N -1 3 375.458 0.634 20 0 GCADHM COCCCNC(=O)CN(C)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821687950 606318268 /nfs/dbraw/zinc/31/82/68/606318268.db2.gz XCTQGLPSJPUGGZ-GFCCVEGCSA-N -1 3 393.473 0.118 20 0 GCADHM COCCCNC(=O)CN(C)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821687950 606318269 /nfs/dbraw/zinc/31/82/69/606318269.db2.gz XCTQGLPSJPUGGZ-GFCCVEGCSA-N -1 3 393.473 0.118 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000823460593 606318337 /nfs/dbraw/zinc/31/83/37/606318337.db2.gz QXTWWWULOKXBOO-VXGBXAGGSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000823460593 606318339 /nfs/dbraw/zinc/31/83/39/606318339.db2.gz QXTWWWULOKXBOO-VXGBXAGGSA-N -1 3 380.430 0.003 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)CC(=O)NCc1ccco1 ZINC000821650590 606319116 /nfs/dbraw/zinc/31/91/16/606319116.db2.gz VBTDIYIIEHXWNB-INIZCTEOSA-N -1 3 384.396 0.922 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)CC(=O)NCc1ccco1 ZINC000821650590 606319118 /nfs/dbraw/zinc/31/91/18/606319118.db2.gz VBTDIYIIEHXWNB-INIZCTEOSA-N -1 3 384.396 0.922 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCc2nnc(N(C)C)cc2C1 ZINC000821652039 606321157 /nfs/dbraw/zinc/32/11/57/606321157.db2.gz LARPKSFEJGPHGC-KRWDZBQOSA-N -1 3 394.439 0.995 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCc2nnc(N(C)C)cc2C1 ZINC000821652039 606321158 /nfs/dbraw/zinc/32/11/58/606321158.db2.gz LARPKSFEJGPHGC-KRWDZBQOSA-N -1 3 394.439 0.995 20 0 GCADHM CNS(=O)(=O)C1CCN([C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821636461 606322462 /nfs/dbraw/zinc/32/24/62/606322462.db2.gz RCQDJFIXQGOMKN-CQSZACIVSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C1CCN([C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821636461 606322464 /nfs/dbraw/zinc/32/24/64/606322464.db2.gz RCQDJFIXQGOMKN-CQSZACIVSA-N -1 3 394.457 0.094 20 0 GCADHM CN(CCN1CCOCC1)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821602805 606322578 /nfs/dbraw/zinc/32/25/78/606322578.db2.gz VWBPGTYMQGJPBF-CYBMUJFWSA-N -1 3 377.474 0.298 20 0 GCADHM CN(CCN1CCOCC1)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821602805 606322580 /nfs/dbraw/zinc/32/25/80/606322580.db2.gz VWBPGTYMQGJPBF-CYBMUJFWSA-N -1 3 377.474 0.298 20 0 GCADHM O=C1[C@@H](N2CCCS(=O)(=O)CC2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823504297 606323681 /nfs/dbraw/zinc/32/36/81/606323681.db2.gz OWEARFQHIUFUMX-NSHDSACASA-N -1 3 382.471 0.154 20 0 GCADHM O=C1[C@@H](N2CCCS(=O)(=O)CC2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823504297 606323683 /nfs/dbraw/zinc/32/36/83/606323683.db2.gz OWEARFQHIUFUMX-NSHDSACASA-N -1 3 382.471 0.154 20 0 GCADHM O=C1[C@@H](N2CCC[C@H](OCCO)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823503342 606324137 /nfs/dbraw/zinc/32/41/37/606324137.db2.gz DBFRLIQTGHBNRZ-AAEUAGOBSA-N -1 3 378.458 0.507 20 0 GCADHM O=C1[C@@H](N2CCC[C@H](OCCO)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823503342 606324138 /nfs/dbraw/zinc/32/41/38/606324138.db2.gz DBFRLIQTGHBNRZ-AAEUAGOBSA-N -1 3 378.458 0.507 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823605905 606335240 /nfs/dbraw/zinc/33/52/40/606335240.db2.gz CMTOPFBYCGQIIE-CYBMUJFWSA-N -1 3 379.442 0.825 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823605905 606335243 /nfs/dbraw/zinc/33/52/43/606335243.db2.gz CMTOPFBYCGQIIE-CYBMUJFWSA-N -1 3 379.442 0.825 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823566689 606335281 /nfs/dbraw/zinc/33/52/81/606335281.db2.gz KNSUZBZWEZCUJO-MRXNPFEDSA-N -1 3 393.469 0.966 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000823566689 606335282 /nfs/dbraw/zinc/33/52/82/606335282.db2.gz KNSUZBZWEZCUJO-MRXNPFEDSA-N -1 3 393.469 0.966 20 0 GCADHM Cn1cc([C@H]2CN(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822674033 606336622 /nfs/dbraw/zinc/33/66/22/606336622.db2.gz JZGWAZPQOZFKFC-MRXNPFEDSA-N -1 3 382.428 0.290 20 0 GCADHM Cn1cc([C@H]2CN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822674033 606336623 /nfs/dbraw/zinc/33/66/23/606336623.db2.gz JZGWAZPQOZFKFC-MRXNPFEDSA-N -1 3 382.428 0.290 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821334095 606337258 /nfs/dbraw/zinc/33/72/58/606337258.db2.gz IIMHJHPYCWABGT-UHFFFAOYSA-N -1 3 381.418 0.298 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821334095 606337259 /nfs/dbraw/zinc/33/72/59/606337259.db2.gz IIMHJHPYCWABGT-UHFFFAOYSA-N -1 3 381.418 0.298 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(-c4nn[n-]n4)cc3)CCN2C1=O ZINC000821242385 606340960 /nfs/dbraw/zinc/34/09/60/606340960.db2.gz SKAWABKALSKEBR-RISCZKNCSA-N -1 3 399.411 0.129 20 0 GCADHM CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821276867 606341385 /nfs/dbraw/zinc/34/13/85/606341385.db2.gz ONHLOTIVBKEZOJ-SSDOTTSWSA-N -1 3 392.363 0.688 20 0 GCADHM CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821276867 606341386 /nfs/dbraw/zinc/34/13/86/606341386.db2.gz ONHLOTIVBKEZOJ-SSDOTTSWSA-N -1 3 392.363 0.688 20 0 GCADHM O=S(=O)(NC[C@H]1COCCO1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823573539 606341772 /nfs/dbraw/zinc/34/17/72/606341772.db2.gz WDNCBIXHWAFZAX-QMMMGPOBSA-N -1 3 393.347 0.579 20 0 GCADHM O=S(=O)(NC[C@H]1COCCO1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823573539 606341774 /nfs/dbraw/zinc/34/17/74/606341774.db2.gz WDNCBIXHWAFZAX-QMMMGPOBSA-N -1 3 393.347 0.579 20 0 GCADHM C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820339262 606342402 /nfs/dbraw/zinc/34/24/02/606342402.db2.gz AXPXYGPCHDRXOO-BBRMVZONSA-N -1 3 389.460 0.262 20 0 GCADHM C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820339262 606342404 /nfs/dbraw/zinc/34/24/04/606342404.db2.gz AXPXYGPCHDRXOO-BBRMVZONSA-N -1 3 389.460 0.262 20 0 GCADHM C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820234986 606342414 /nfs/dbraw/zinc/34/24/14/606342414.db2.gz PVRCPLSFZDOQNO-ZCFIWIBFSA-N -1 3 378.336 0.428 20 0 GCADHM C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820234986 606342416 /nfs/dbraw/zinc/34/24/16/606342416.db2.gz PVRCPLSFZDOQNO-ZCFIWIBFSA-N -1 3 378.336 0.428 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821636301 606354358 /nfs/dbraw/zinc/35/43/58/606354358.db2.gz MRXGWSCLCWSXNL-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821636301 606354359 /nfs/dbraw/zinc/35/43/59/606354359.db2.gz MRXGWSCLCWSXNL-SNVBAGLBSA-N -1 3 383.409 0.551 20 0 GCADHM O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823176336 606356125 /nfs/dbraw/zinc/35/61/25/606356125.db2.gz RWUWPTVTHNHHGM-BCTVWOGZSA-N -1 3 388.363 0.506 20 0 GCADHM O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823176336 606356126 /nfs/dbraw/zinc/35/61/26/606356126.db2.gz RWUWPTVTHNHHGM-BCTVWOGZSA-N -1 3 388.363 0.506 20 0 GCADHM O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823176341 606356224 /nfs/dbraw/zinc/35/62/24/606356224.db2.gz RWUWPTVTHNHHGM-VPTHRUTESA-N -1 3 388.363 0.506 20 0 GCADHM O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823176341 606356226 /nfs/dbraw/zinc/35/62/26/606356226.db2.gz RWUWPTVTHNHHGM-VPTHRUTESA-N -1 3 388.363 0.506 20 0 GCADHM Cn1cc([C@@H]2CN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)CCO2)cn1 ZINC000822673751 606363402 /nfs/dbraw/zinc/36/34/02/606363402.db2.gz AGEIZKCJNREFLU-AWEZNQCLSA-N -1 3 398.431 0.190 20 0 GCADHM Cn1cc([C@@H]2CN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)CCO2)cn1 ZINC000822673751 606363404 /nfs/dbraw/zinc/36/34/04/606363404.db2.gz AGEIZKCJNREFLU-AWEZNQCLSA-N -1 3 398.431 0.190 20 0 GCADHM NC(=O)c1ccc(OCCC(=O)NCCNc2ncccc2-c2nnn[n-]2)cc1 ZINC000822885651 606363725 /nfs/dbraw/zinc/36/37/25/606363725.db2.gz RGAFZRJXYYPZNF-UHFFFAOYSA-N -1 3 396.411 0.358 20 0 GCADHM NC(=O)c1ccc(OCCC(=O)NCCNc2ncccc2-c2nn[n-]n2)cc1 ZINC000822885651 606363726 /nfs/dbraw/zinc/36/37/26/606363726.db2.gz RGAFZRJXYYPZNF-UHFFFAOYSA-N -1 3 396.411 0.358 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)C(C)(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821646093 606365367 /nfs/dbraw/zinc/36/53/67/606365367.db2.gz AXWKAJFYNDPWDR-CYBMUJFWSA-N -1 3 375.385 0.786 20 0 GCADHM COC(=O)[C@H](OC(=O)CNC(=O)C(C)(C)C)c1cccc(-c2nn[n-]n2)c1 ZINC000821646093 606365369 /nfs/dbraw/zinc/36/53/69/606365369.db2.gz AXWKAJFYNDPWDR-CYBMUJFWSA-N -1 3 375.385 0.786 20 0 GCADHM COC(=O)[C@H](OC(=O)c1nc2nccc(C)n2n1)c1cccc(-c2nnn[n-]2)c1 ZINC000821649710 606366055 /nfs/dbraw/zinc/36/60/55/606366055.db2.gz BOVHTLZTOUSLRE-GFCCVEGCSA-N -1 3 394.351 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3 382.336 0.432 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1ccc(C(N)=O)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648662 606373488 /nfs/dbraw/zinc/37/34/88/606373488.db2.gz PCMAKAQXTKPECM-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)[C@@H](OC(=O)COC[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000821646660 606377033 /nfs/dbraw/zinc/37/70/33/606377033.db2.gz MEMGVNHCQZWPNQ-HIFRSBDPSA-N -1 3 376.369 0.820 20 0 GCADHM COC(=O)[C@@H](OC(=O)COC[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000821646660 606377034 /nfs/dbraw/zinc/37/70/34/606377034.db2.gz MEMGVNHCQZWPNQ-HIFRSBDPSA-N -1 3 376.369 0.820 20 0 GCADHM CS(=O)(=O)CCCC(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821926809 606377618 /nfs/dbraw/zinc/37/76/18/606377618.db2.gz KYFSYPCPVCOASG-JTQLQIEISA-N -1 3 399.454 0.402 20 0 GCADHM CS(=O)(=O)CCCC(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821926809 606377620 /nfs/dbraw/zinc/37/76/20/606377620.db2.gz KYFSYPCPVCOASG-JTQLQIEISA-N -1 3 399.454 0.402 20 0 GCADHM 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Cc1cccc(NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822312171 606386372 /nfs/dbraw/zinc/38/63/72/606386372.db2.gz BUCDERMJRGCCKA-UHFFFAOYSA-N -1 3 380.430 0.053 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000821755198 606386386 /nfs/dbraw/zinc/38/63/86/606386386.db2.gz ATUSDUBYKQMONU-KBXCAEBGSA-N -1 3 388.428 0.871 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000821755198 606386388 /nfs/dbraw/zinc/38/63/88/606386388.db2.gz ATUSDUBYKQMONU-KBXCAEBGSA-N -1 3 388.428 0.871 20 0 GCADHM CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1=O ZINC000821624116 606386463 /nfs/dbraw/zinc/38/64/63/606386463.db2.gz ZDTUAABMIVUVPI-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1=O ZINC000821624116 606386465 /nfs/dbraw/zinc/38/64/65/606386465.db2.gz ZDTUAABMIVUVPI-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM C[C@H]1CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1N1CCOCC1 ZINC000820732822 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C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820769039 606584707 /nfs/dbraw/zinc/58/47/07/606584707.db2.gz QWQLJQRKOXYGPK-BXUZGUMPSA-N -1 3 378.458 0.195 20 0 GCADHM COC[C@](C)(CC(=O)OC)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000821680652 606586186 /nfs/dbraw/zinc/58/61/86/606586186.db2.gz PNMOKEMNYRYTIL-KRWDZBQOSA-N -1 3 393.400 0.339 20 0 GCADHM COC[C@](C)(CC(=O)OC)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000821680652 606586188 /nfs/dbraw/zinc/58/61/88/606586188.db2.gz PNMOKEMNYRYTIL-KRWDZBQOSA-N -1 3 393.400 0.339 20 0 GCADHM COC(=O)C[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000821658736 606586936 /nfs/dbraw/zinc/58/69/36/606586936.db2.gz HADCBPTVMSYULQ-LBPRGKRZSA-N -1 3 378.364 0.479 20 0 GCADHM COC(=O)C[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000821658736 606586938 /nfs/dbraw/zinc/58/69/38/606586938.db2.gz HADCBPTVMSYULQ-LBPRGKRZSA-N -1 3 378.364 0.479 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821636022 606590298 /nfs/dbraw/zinc/59/02/98/606590298.db2.gz BUQPHPCYUNYEAK-LJTDUEICSA-N -1 3 376.442 0.420 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821636022 606590299 /nfs/dbraw/zinc/59/02/99/606590299.db2.gz BUQPHPCYUNYEAK-LJTDUEICSA-N -1 3 376.442 0.420 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCN(c2ncccc2F)CC1 ZINC000823607438 606593083 /nfs/dbraw/zinc/59/30/83/606593083.db2.gz VQMWDVCMJKKZNN-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCN(c2ncccc2F)CC1 ZINC000823607438 606593085 /nfs/dbraw/zinc/59/30/85/606593085.db2.gz VQMWDVCMJKKZNN-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=C(CN1CCCCC1=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822996522 606595116 /nfs/dbraw/zinc/59/51/16/606595116.db2.gz GNTOZAXTNIZLLM-UHFFFAOYSA-N -1 3 383.456 0.964 20 0 GCADHM O=C(CN1CCCCC1=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822996522 606595117 /nfs/dbraw/zinc/59/51/17/606595117.db2.gz GNTOZAXTNIZLLM-UHFFFAOYSA-N -1 3 383.456 0.964 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)c1 ZINC000822879839 606599107 /nfs/dbraw/zinc/59/91/07/606599107.db2.gz HASNJJWQUGJUHN-UHFFFAOYSA-N -1 3 396.411 0.507 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)c1 ZINC000822879839 606599109 /nfs/dbraw/zinc/59/91/09/606599109.db2.gz HASNJJWQUGJUHN-UHFFFAOYSA-N -1 3 396.411 0.507 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@@H](CO)c1ccccc1 ZINC000823201264 606600706 /nfs/dbraw/zinc/60/07/06/606600706.db2.gz GBANIBDCRUWEQS-HNNXBMFYSA-N -1 3 382.428 0.749 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@@H](CO)c1ccccc1 ZINC000823201264 606600707 /nfs/dbraw/zinc/60/07/07/606600707.db2.gz GBANIBDCRUWEQS-HNNXBMFYSA-N -1 3 382.428 0.749 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)NC1CCCCC1 ZINC000823383296 606604250 /nfs/dbraw/zinc/60/42/50/606604250.db2.gz PDIKUQGSTFIXHV-UHFFFAOYSA-N -1 3 395.427 0.894 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)NC1CCCCC1 ZINC000823383296 606604252 /nfs/dbraw/zinc/60/42/52/606604252.db2.gz PDIKUQGSTFIXHV-UHFFFAOYSA-N -1 3 395.427 0.894 20 0 GCADHM C[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000820650661 606604782 /nfs/dbraw/zinc/60/47/82/606604782.db2.gz XEUSPFBRNSSHLL-NEPJUHHUSA-N -1 3 395.427 0.702 20 0 GCADHM C[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000820650661 606604784 /nfs/dbraw/zinc/60/47/84/606604784.db2.gz XEUSPFBRNSSHLL-NEPJUHHUSA-N -1 3 395.427 0.702 20 0 GCADHM CC1(C)CCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820596523 606604950 /nfs/dbraw/zinc/60/49/50/606604950.db2.gz QODHZGDFLGXTNL-UHFFFAOYSA-N -1 3 395.427 0.846 20 0 GCADHM CC1(C)CCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820596523 606604951 /nfs/dbraw/zinc/60/49/51/606604951.db2.gz QODHZGDFLGXTNL-UHFFFAOYSA-N -1 3 395.427 0.846 20 0 GCADHM C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820667318 606605022 /nfs/dbraw/zinc/60/50/22/606605022.db2.gz LVDLDAMJFBPWQL-MFKMUULPSA-N -1 3 381.400 0.217 20 0 GCADHM C[C@@H]1C[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820667318 606605024 /nfs/dbraw/zinc/60/50/24/606605024.db2.gz LVDLDAMJFBPWQL-MFKMUULPSA-N -1 3 381.400 0.217 20 0 GCADHM CCN(CC(C)C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821170192 606605070 /nfs/dbraw/zinc/60/50/70/606605070.db2.gz NJDWTFAIWDTASP-UHFFFAOYSA-N -1 3 397.443 0.950 20 0 GCADHM CCN(CC(C)C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821170192 606605072 /nfs/dbraw/zinc/60/50/72/606605072.db2.gz NJDWTFAIWDTASP-UHFFFAOYSA-N -1 3 397.443 0.950 20 0 GCADHM CC1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)CC1 ZINC000820717920 606605076 /nfs/dbraw/zinc/60/50/76/606605076.db2.gz YTTQWFKTVYDNTA-UHFFFAOYSA-N -1 3 395.427 0.704 20 0 GCADHM CC1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)CC1 ZINC000820717920 606605078 /nfs/dbraw/zinc/60/50/78/606605078.db2.gz YTTQWFKTVYDNTA-UHFFFAOYSA-N -1 3 395.427 0.704 20 0 GCADHM CC(C)C[C@H](CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820055676 606606356 /nfs/dbraw/zinc/60/63/56/606606356.db2.gz JMRQPAFQGWOCSR-SNVBAGLBSA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)C[C@H](CO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820055676 606606358 /nfs/dbraw/zinc/60/63/58/606606358.db2.gz JMRQPAFQGWOCSR-SNVBAGLBSA-N -1 3 398.370 0.930 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000821757513 606606716 /nfs/dbraw/zinc/60/67/16/606606716.db2.gz YLFISXIQBDDTFZ-GDBMZVCRSA-N -1 3 394.391 0.588 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000821757513 606606719 /nfs/dbraw/zinc/60/67/19/606606719.db2.gz YLFISXIQBDDTFZ-GDBMZVCRSA-N -1 3 394.391 0.588 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)Cn1cncn1 ZINC000821401605 606606893 /nfs/dbraw/zinc/60/68/93/606606893.db2.gz XXAVPRSXGZGSFX-SNVBAGLBSA-N -1 3 385.388 0.000 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000822216010 606606933 /nfs/dbraw/zinc/60/69/33/606606933.db2.gz BRKOCWXGJIQRNV-HNNXBMFYSA-N -1 3 380.408 0.833 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000822216010 606606934 /nfs/dbraw/zinc/60/69/34/606606934.db2.gz BRKOCWXGJIQRNV-HNNXBMFYSA-N -1 3 380.408 0.833 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000819781653 606607274 /nfs/dbraw/zinc/60/72/74/606607274.db2.gz BXZNZRGFJXDLCU-UHFFFAOYSA-N -1 3 389.391 0.414 20 0 GCADHM CC(=O)N(C)C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000819781653 606607278 /nfs/dbraw/zinc/60/72/78/606607278.db2.gz BXZNZRGFJXDLCU-UHFFFAOYSA-N -1 3 389.391 0.414 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@H]1CCCC[C@H]1O ZINC000823294661 606607543 /nfs/dbraw/zinc/60/75/43/606607543.db2.gz MCIDHHDLGMFOKW-GXSJLCMTSA-N -1 3 396.354 0.826 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@H]1CCCC[C@H]1O ZINC000823294661 606607545 /nfs/dbraw/zinc/60/75/45/606607545.db2.gz MCIDHHDLGMFOKW-GXSJLCMTSA-N -1 3 396.354 0.826 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC[C@@H]1C ZINC000820313730 606607673 /nfs/dbraw/zinc/60/76/73/606607673.db2.gz GAVLPUIQWDBEBZ-RYUDHWBXSA-N -1 3 385.428 0.711 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC[C@@H]1C ZINC000820313730 606607675 /nfs/dbraw/zinc/60/76/75/606607675.db2.gz GAVLPUIQWDBEBZ-RYUDHWBXSA-N -1 3 385.428 0.711 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000821756761 606608801 /nfs/dbraw/zinc/60/88/01/606608801.db2.gz RPHPELJPYDSFHB-ZDUSSCGKSA-N -1 3 385.428 0.511 20 0 GCADHM CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1=O ZINC000820126916 606609306 /nfs/dbraw/zinc/60/93/06/606609306.db2.gz FFIFWESWYQXKKE-SNVBAGLBSA-N -1 3 391.819 0.584 20 0 GCADHM CC(C)N1C[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1=O ZINC000820126916 606609307 /nfs/dbraw/zinc/60/93/07/606609307.db2.gz FFIFWESWYQXKKE-SNVBAGLBSA-N -1 3 391.819 0.584 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000821757411 606609956 /nfs/dbraw/zinc/60/99/56/606609956.db2.gz WZHFJVYRGWKQGD-ZDUSSCGKSA-N -1 3 396.411 0.874 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1)CC2 ZINC000821509916 606609996 /nfs/dbraw/zinc/60/99/96/606609996.db2.gz PKGLTEOIUQKEHQ-LLVKDONJSA-N -1 3 395.427 0.399 20 0 GCADHM CCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1)CC2 ZINC000821509916 606609997 /nfs/dbraw/zinc/60/99/97/606609997.db2.gz PKGLTEOIUQKEHQ-LLVKDONJSA-N -1 3 395.427 0.399 20 0 GCADHM C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820280686 606611018 /nfs/dbraw/zinc/61/10/18/606611018.db2.gz MIPSCZIQTCBIFN-JGVFFNPUSA-N -1 3 384.343 0.540 20 0 GCADHM C[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820280686 606611020 /nfs/dbraw/zinc/61/10/20/606611020.db2.gz MIPSCZIQTCBIFN-JGVFFNPUSA-N -1 3 384.343 0.540 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000823331900 606611221 /nfs/dbraw/zinc/61/12/21/606611221.db2.gz IOBMWJCCQWRMDU-SECBINFHSA-N -1 3 387.791 0.181 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000823331900 606611222 /nfs/dbraw/zinc/61/12/22/606611222.db2.gz IOBMWJCCQWRMDU-SECBINFHSA-N -1 3 387.791 0.181 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CCO)C(C)C ZINC000821400965 606611749 /nfs/dbraw/zinc/61/17/49/606611749.db2.gz QYRXLMWJXJEVLK-LBPRGKRZSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CCO)C(C)C ZINC000821400965 606611750 /nfs/dbraw/zinc/61/17/50/606611750.db2.gz QYRXLMWJXJEVLK-LBPRGKRZSA-N -1 3 376.417 0.727 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C(=O)N1CCCC1)C(C)C ZINC000822216691 606611794 /nfs/dbraw/zinc/61/17/94/606611794.db2.gz WWGBHMWSSMFWIZ-HNNXBMFYSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C(=O)N1CCCC1)C(C)C ZINC000822216691 606611795 /nfs/dbraw/zinc/61/17/95/606611795.db2.gz WWGBHMWSSMFWIZ-HNNXBMFYSA-N -1 3 399.455 0.877 20 0 GCADHM Cc1nonc1CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000822530456 606612014 /nfs/dbraw/zinc/61/20/14/606612014.db2.gz BYDPOUJIZZYRAM-UHFFFAOYSA-N -1 3 386.372 0.600 20 0 GCADHM Cc1nonc1CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000822530456 606612016 /nfs/dbraw/zinc/61/20/16/606612016.db2.gz BYDPOUJIZZYRAM-UHFFFAOYSA-N -1 3 386.372 0.600 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000823331463 606612237 /nfs/dbraw/zinc/61/22/37/606612237.db2.gz DKQJMJGZGVHDDP-SECBINFHSA-N -1 3 389.803 0.338 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000823331463 606612238 /nfs/dbraw/zinc/61/22/38/606612238.db2.gz DKQJMJGZGVHDDP-SECBINFHSA-N -1 3 389.803 0.338 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000823360250 606612348 /nfs/dbraw/zinc/61/23/48/606612348.db2.gz XPUNDPWQGLZKJO-CQSZACIVSA-N -1 3 397.439 0.666 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000823360250 606612349 /nfs/dbraw/zinc/61/23/49/606612349.db2.gz XPUNDPWQGLZKJO-CQSZACIVSA-N -1 3 397.439 0.666 20 0 GCADHM COC[C@@H](CCO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000821682967 606612767 /nfs/dbraw/zinc/61/27/67/606612767.db2.gz RPPUBHGASJRDCQ-GFCCVEGCSA-N -1 3 392.416 0.106 20 0 GCADHM COC[C@@H](CCO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000821682967 606612769 /nfs/dbraw/zinc/61/27/69/606612769.db2.gz RPPUBHGASJRDCQ-GFCCVEGCSA-N -1 3 392.416 0.106 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CCO)CSC ZINC000821401277 606612909 /nfs/dbraw/zinc/61/29/09/606612909.db2.gz UPRBKHVQHGUHMJ-NSHDSACASA-N -1 3 394.457 0.434 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CCO)CSC ZINC000821401277 606612910 /nfs/dbraw/zinc/61/29/10/606612910.db2.gz UPRBKHVQHGUHMJ-NSHDSACASA-N -1 3 394.457 0.434 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000822216727 606613201 /nfs/dbraw/zinc/61/32/01/606613201.db2.gz YANNSTPVBVJYEV-SUHUHFCYSA-N -1 3 383.412 0.239 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000822216727 606613203 /nfs/dbraw/zinc/61/32/03/606613203.db2.gz YANNSTPVBVJYEV-SUHUHFCYSA-N -1 3 383.412 0.239 20 0 GCADHM CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821950553 606613466 /nfs/dbraw/zinc/61/34/66/606613466.db2.gz OQOMJFXOODDMNT-CPCISQLKSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821950553 606613467 /nfs/dbraw/zinc/61/34/67/606613467.db2.gz OQOMJFXOODDMNT-CPCISQLKSA-N -1 3 384.849 0.687 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000819923245 606613971 /nfs/dbraw/zinc/61/39/71/606613971.db2.gz WSTYZCHNKIGRKP-GFCCVEGCSA-N -1 3 386.412 0.995 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000819923245 606613972 /nfs/dbraw/zinc/61/39/72/606613972.db2.gz WSTYZCHNKIGRKP-GFCCVEGCSA-N -1 3 386.412 0.995 20 0 GCADHM C[C@H](N1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1)C(F)(F)F ZINC000820306730 606614208 /nfs/dbraw/zinc/61/42/08/606614208.db2.gz DFXLDVCVUXEXPR-JTQLQIEISA-N -1 3 397.361 0.900 20 0 GCADHM C[C@H](N1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1)C(F)(F)F ZINC000820306730 606614210 /nfs/dbraw/zinc/61/42/10/606614210.db2.gz DFXLDVCVUXEXPR-JTQLQIEISA-N -1 3 397.361 0.900 20 0 GCADHM CNC(=O)N1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000821634149 606614271 /nfs/dbraw/zinc/61/42/71/606614271.db2.gz TZGSYKDHYIABCU-SNVBAGLBSA-N -1 3 376.421 0.361 20 0 GCADHM NC(=O)[C@H](OC(=O)CCOC1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822850483 606616143 /nfs/dbraw/zinc/61/61/43/606616143.db2.gz IJLPKDLMNYCYQI-OAHLLOKOSA-N -1 3 375.385 0.522 20 0 GCADHM NC(=O)[C@H](OC(=O)CCOC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822850483 606616144 /nfs/dbraw/zinc/61/61/44/606616144.db2.gz IJLPKDLMNYCYQI-OAHLLOKOSA-N -1 3 375.385 0.522 20 0 GCADHM C[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396360 606620232 /nfs/dbraw/zinc/62/02/32/606620232.db2.gz FRFUFYCCHHXBJJ-SNVBAGLBSA-N -1 3 390.425 1.000 20 0 GCADHM C[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396360 606620234 /nfs/dbraw/zinc/62/02/34/606620234.db2.gz FRFUFYCCHHXBJJ-SNVBAGLBSA-N -1 3 390.425 1.000 20 0 GCADHM C[C@H](N1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1)C(F)(F)F ZINC000820306699 606620706 /nfs/dbraw/zinc/62/07/06/606620706.db2.gz CKJHKBVAAITYBG-GXFFZTMASA-N -1 3 383.378 0.962 20 0 GCADHM C[C@H](N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1)C(F)(F)F ZINC000820306699 606620708 /nfs/dbraw/zinc/62/07/08/606620708.db2.gz CKJHKBVAAITYBG-GXFFZTMASA-N -1 3 383.378 0.962 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636350 606623461 /nfs/dbraw/zinc/62/34/61/606623461.db2.gz OGZIGJYXYFMASS-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636350 606623462 /nfs/dbraw/zinc/62/34/62/606623462.db2.gz OGZIGJYXYFMASS-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823049907 606623513 /nfs/dbraw/zinc/62/35/13/606623513.db2.gz MCCISFYGPODEFQ-ZFWWWQNUSA-N -1 3 391.453 0.814 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823049907 606623515 /nfs/dbraw/zinc/62/35/15/606623515.db2.gz MCCISFYGPODEFQ-ZFWWWQNUSA-N -1 3 391.453 0.814 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823049904 606623958 /nfs/dbraw/zinc/62/39/58/606623958.db2.gz MCCISFYGPODEFQ-DZGCQCFKSA-N -1 3 391.453 0.814 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000823049904 606623959 /nfs/dbraw/zinc/62/39/59/606623959.db2.gz MCCISFYGPODEFQ-DZGCQCFKSA-N -1 3 391.453 0.814 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000821700072 606625889 /nfs/dbraw/zinc/62/58/89/606625889.db2.gz BYUZBFCSCLAAGB-YPMHNXCESA-N -1 3 377.401 0.564 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000821700072 606625891 /nfs/dbraw/zinc/62/58/91/606625891.db2.gz BYUZBFCSCLAAGB-YPMHNXCESA-N -1 3 377.401 0.564 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cnn(C)c1 ZINC000819857048 606631256 /nfs/dbraw/zinc/63/12/56/606631256.db2.gz OITGCADMCTWNGF-LBPRGKRZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cnn(C)c1 ZINC000819857048 606631257 /nfs/dbraw/zinc/63/12/57/606631257.db2.gz OITGCADMCTWNGF-LBPRGKRZSA-N -1 3 381.444 0.884 20 0 GCADHM CC(C)(CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)CC1 ZINC000819980620 606631321 /nfs/dbraw/zinc/63/13/21/606631321.db2.gz FOJYAGBOQDQGEM-UHFFFAOYSA-N -1 3 377.474 0.831 20 0 GCADHM CC(C)(CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)CC1 ZINC000819980620 606631322 /nfs/dbraw/zinc/63/13/22/606631322.db2.gz FOJYAGBOQDQGEM-UHFFFAOYSA-N -1 3 377.474 0.831 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21)Nc1sccc1-c1nnn[n-]1 ZINC000823000651 606632060 /nfs/dbraw/zinc/63/20/60/606632060.db2.gz CCNTWBBNWWCZNL-NEPJUHHUSA-N -1 3 396.498 0.908 20 0 GCADHM O=C(CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21)Nc1sccc1-c1nn[n-]n1 ZINC000823000651 606632061 /nfs/dbraw/zinc/63/20/61/606632061.db2.gz CCNTWBBNWWCZNL-NEPJUHHUSA-N -1 3 396.498 0.908 20 0 GCADHM Nc1nsc(N2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000822912374 606633103 /nfs/dbraw/zinc/63/31/03/606633103.db2.gz XSLFBJFKSLVOKX-UHFFFAOYSA-N -1 3 387.429 0.028 20 0 GCADHM Nc1nsc(N2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000822912374 606633104 /nfs/dbraw/zinc/63/31/04/606633104.db2.gz XSLFBJFKSLVOKX-UHFFFAOYSA-N -1 3 387.429 0.028 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OCC[C@H]1CCOC1=O ZINC000823055369 606635519 /nfs/dbraw/zinc/63/55/19/606635519.db2.gz NHADJVUCJYUZEO-ZDUSSCGKSA-N -1 3 394.409 0.278 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OCC[C@H]1CCOC1=O 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GCADHM NC(=O)COc1cccc(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000822869254 606687942 /nfs/dbraw/zinc/68/79/42/606687942.db2.gz RRCCIQPODHFYQI-UHFFFAOYSA-N -1 3 388.334 0.939 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nnn[n-]2)c1)N1C[C@H](O)C[C@H](O)C1 ZINC000823498243 606688674 /nfs/dbraw/zinc/68/86/74/606688674.db2.gz IPZKLZCFZBHQCH-OKILXGFUSA-N -1 3 385.380 0.606 20 0 GCADHM O=C(c1occc1COc1cccc(-c2nn[n-]n2)c1)N1C[C@H](O)C[C@H](O)C1 ZINC000823498243 606688675 /nfs/dbraw/zinc/68/86/75/606688675.db2.gz IPZKLZCFZBHQCH-OKILXGFUSA-N -1 3 385.380 0.606 20 0 GCADHM O=C(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823460173 606689146 /nfs/dbraw/zinc/68/91/46/606689146.db2.gz JKULYMBQXQORCT-NSHDSACASA-N -1 3 378.383 0.939 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C[C@H]1C ZINC000821655293 606690343 /nfs/dbraw/zinc/69/03/43/606690343.db2.gz ITUVZYSAWGZLHZ-ZYHUDNBSSA-N -1 3 375.385 0.522 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C[C@H]1C ZINC000821655293 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C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC000820384389 606724391 /nfs/dbraw/zinc/72/43/91/606724391.db2.gz CZNUPROOSGAIGW-MFKMUULPSA-N -1 3 391.432 0.949 20 0 GCADHM CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820102810 606735710 /nfs/dbraw/zinc/73/57/10/606735710.db2.gz LOTLQVFXWQYCAN-NSHDSACASA-N -1 3 396.835 0.608 20 0 GCADHM CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820102810 606735712 /nfs/dbraw/zinc/73/57/12/606735712.db2.gz LOTLQVFXWQYCAN-NSHDSACASA-N -1 3 396.835 0.608 20 0 GCADHM O=S(=O)(NCC1(O)CCC2(CC1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000823573753 606737473 /nfs/dbraw/zinc/73/74/73/606737473.db2.gz YOSCPCFUJLSBEV-UHFFFAOYSA-N -1 3 395.441 0.193 20 0 GCADHM O=S(=O)(NCC1(O)CCC2(CC1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000823573753 606737475 /nfs/dbraw/zinc/73/74/75/606737475.db2.gz YOSCPCFUJLSBEV-UHFFFAOYSA-N -1 3 395.441 0.193 20 0 GCADHM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)C[C@@H]21 ZINC000821628179 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PVZWPPMQOIUNNE-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM Cn1cc(CCCNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)cn1 ZINC000822680897 606738316 /nfs/dbraw/zinc/73/83/16/606738316.db2.gz QVEUDSZUQAHHKZ-UHFFFAOYSA-N -1 3 388.819 0.941 20 0 GCADHM Cn1cc(CCCNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)cn1 ZINC000822680897 606738318 /nfs/dbraw/zinc/73/83/18/606738318.db2.gz QVEUDSZUQAHHKZ-UHFFFAOYSA-N -1 3 388.819 0.941 20 0 GCADHM CS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821920737 606738414 /nfs/dbraw/zinc/73/84/14/606738414.db2.gz XTGYVTWUGYLDBR-UHFFFAOYSA-N -1 3 389.434 0.204 20 0 GCADHM O=C(NCC1(O)CCOCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823170638 606740035 /nfs/dbraw/zinc/74/00/35/606740035.db2.gz FVDJKMTYVUUZDK-UHFFFAOYSA-N -1 3 380.792 0.116 20 0 GCADHM O=C(NCC1(O)CCOCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823170638 606740037 /nfs/dbraw/zinc/74/00/37/606740037.db2.gz FVDJKMTYVUUZDK-UHFFFAOYSA-N -1 3 380.792 0.116 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CCCC1 ZINC000822850525 606740197 /nfs/dbraw/zinc/74/01/97/606740197.db2.gz JIJPMCKUMWWNKY-UHFFFAOYSA-N -1 3 391.819 0.621 20 0 GCADHM NC(=O)C1(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CCCC1 ZINC000822850525 606740198 /nfs/dbraw/zinc/74/01/98/606740198.db2.gz JIJPMCKUMWWNKY-UHFFFAOYSA-N -1 3 391.819 0.621 20 0 GCADHM O=C(NCCNc1cnccn1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823205954 606740242 /nfs/dbraw/zinc/74/02/42/606740242.db2.gz DDSHJCQRBAFLKL-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM O=C(NCCNc1cnccn1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823205954 606740243 /nfs/dbraw/zinc/74/02/43/606740243.db2.gz DDSHJCQRBAFLKL-UHFFFAOYSA-N -1 3 387.791 0.477 20 0 GCADHM O=C(NC[C@H](O)C1CCOCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823166530 606740484 /nfs/dbraw/zinc/74/04/84/606740484.db2.gz MJNTWGPLIFGBPK-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM O=C(NC[C@H](O)C1CCOCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823166530 606740486 /nfs/dbraw/zinc/74/04/86/606740486.db2.gz MJNTWGPLIFGBPK-ZDUSSCGKSA-N -1 3 394.819 0.362 20 0 GCADHM Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)cn1 ZINC000822669433 606741983 /nfs/dbraw/zinc/74/19/83/606741983.db2.gz KAEPMJIEFPGTBK-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)cn1 ZINC000822669433 606741984 /nfs/dbraw/zinc/74/19/84/606741984.db2.gz KAEPMJIEFPGTBK-LBPRGKRZSA-N -1 3 390.791 0.042 20 0 GCADHM O=C(NC[C@]1(O)CCSC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823171244 606743296 /nfs/dbraw/zinc/74/32/96/606743296.db2.gz RKSIDZWEYQJZBZ-CQSZACIVSA-N -1 3 382.833 0.443 20 0 GCADHM O=C(NC[C@]1(O)CCSC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823171244 606743298 /nfs/dbraw/zinc/74/32/98/606743298.db2.gz RKSIDZWEYQJZBZ-CQSZACIVSA-N -1 3 382.833 0.443 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000822864673 606743439 /nfs/dbraw/zinc/74/34/39/606743439.db2.gz HUNCTXTXAJHWOC-SECBINFHSA-N -1 3 391.819 0.573 20 0 GCADHM NC(=O)C[C@H]1CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000822864673 606743441 /nfs/dbraw/zinc/74/34/41/606743441.db2.gz HUNCTXTXAJHWOC-SECBINFHSA-N -1 3 391.819 0.573 20 0 GCADHM CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821313717 606743485 /nfs/dbraw/zinc/74/34/85/606743485.db2.gz HUTQGXSQEAVMSY-QMMMGPOBSA-N -1 3 380.792 0.774 20 0 GCADHM CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821313717 606743487 /nfs/dbraw/zinc/74/34/87/606743487.db2.gz HUTQGXSQEAVMSY-QMMMGPOBSA-N -1 3 380.792 0.774 20 0 GCADHM CCNC(=O)N1CC[C@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821286024 606744006 /nfs/dbraw/zinc/74/40/06/606744006.db2.gz NSITUESLUQKECQ-GOEBONIOSA-N -1 3 398.471 0.756 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000823289452 606744214 /nfs/dbraw/zinc/74/42/14/606744214.db2.gz JFGJURYMHDBTGU-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000823289452 606744216 /nfs/dbraw/zinc/74/42/16/606744216.db2.gz JFGJURYMHDBTGU-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000823289302 606744221 /nfs/dbraw/zinc/74/42/21/606744221.db2.gz HSGUWLRRBRMWKK-SECBINFHSA-N -1 3 387.791 0.181 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000823289302 606744223 /nfs/dbraw/zinc/74/42/23/606744223.db2.gz HSGUWLRRBRMWKK-SECBINFHSA-N -1 3 387.791 0.181 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1Cl)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000823289307 606744301 /nfs/dbraw/zinc/74/43/01/606744301.db2.gz HSGUWLRRBRMWKK-VIFPVBQESA-N -1 3 387.791 0.181 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000823289307 606744303 /nfs/dbraw/zinc/74/43/03/606744303.db2.gz HSGUWLRRBRMWKK-VIFPVBQESA-N -1 3 387.791 0.181 20 0 GCADHM O=S(=O)(N[C@H]1CCN(c2ncccc2F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823572711 606745545 /nfs/dbraw/zinc/74/55/45/606745545.db2.gz LDBIHBQLYWFZBP-LBPRGKRZSA-N -1 3 389.416 0.958 20 0 GCADHM O=S(=O)(N[C@H]1CCN(c2ncccc2F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823572711 606745547 /nfs/dbraw/zinc/74/55/47/606745547.db2.gz LDBIHBQLYWFZBP-LBPRGKRZSA-N -1 3 389.416 0.958 20 0 GCADHM O=C(CNCC(F)(F)F)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823005629 606746434 /nfs/dbraw/zinc/74/64/34/606746434.db2.gz ZDTNJZVMCQRVLO-UHFFFAOYSA-N -1 3 383.378 0.663 20 0 GCADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000820451263 606748625 /nfs/dbraw/zinc/74/86/25/606748625.db2.gz UGBLEPVPTYSGGU-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821284042 606748778 /nfs/dbraw/zinc/74/87/78/606748778.db2.gz ACLICNFNVIAVEZ-CYBMUJFWSA-N -1 3 388.432 0.349 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821509534 606749271 /nfs/dbraw/zinc/74/92/71/606749271.db2.gz JFHPEAMRALLBIM-GFCCVEGCSA-N -1 3 381.400 0.610 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821509534 606749272 /nfs/dbraw/zinc/74/92/72/606749272.db2.gz JFHPEAMRALLBIM-GFCCVEGCSA-N -1 3 381.400 0.610 20 0 GCADHM CC[C@@H](C)C(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820859248 606750823 /nfs/dbraw/zinc/75/08/23/606750823.db2.gz CKDJCGUSVKIZEM-SNVBAGLBSA-N -1 3 381.414 0.303 20 0 GCADHM CC[C@@H](C)C(=O)COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820859248 606750824 /nfs/dbraw/zinc/75/08/24/606750824.db2.gz CKDJCGUSVKIZEM-SNVBAGLBSA-N -1 3 381.414 0.303 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000820032474 606751626 /nfs/dbraw/zinc/75/16/26/606751626.db2.gz NZEGXKYOFXLWJE-XIRDDKMYSA-N -1 3 386.456 0.812 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000820032474 606751627 /nfs/dbraw/zinc/75/16/27/606751627.db2.gz NZEGXKYOFXLWJE-XIRDDKMYSA-N -1 3 386.456 0.812 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000823360174 606751954 /nfs/dbraw/zinc/75/19/54/606751954.db2.gz WHWZUSACFJOAHP-ZDUSSCGKSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000823360174 606751956 /nfs/dbraw/zinc/75/19/56/606751956.db2.gz WHWZUSACFJOAHP-ZDUSSCGKSA-N -1 3 396.386 0.734 20 0 GCADHM CS(=O)(=O)C1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000821920173 606754563 /nfs/dbraw/zinc/75/45/63/606754563.db2.gz MMNOBAMVKVXSSF-HNNXBMFYSA-N -1 3 390.469 0.481 20 0 GCADHM CS(=O)(=O)C1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000821920173 606754564 /nfs/dbraw/zinc/75/45/64/606754564.db2.gz MMNOBAMVKVXSSF-HNNXBMFYSA-N -1 3 390.469 0.481 20 0 GCADHM Cc1cc(NC(=O)COC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n(C)n1 ZINC000822208287 606755514 /nfs/dbraw/zinc/75/55/14/606755514.db2.gz KSDIBFXGAPNAEI-UHFFFAOYSA-N -1 3 377.311 0.982 20 0 GCADHM Cc1cc(NC(=O)COC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n(C)n1 ZINC000822208287 606755515 /nfs/dbraw/zinc/75/55/15/606755515.db2.gz KSDIBFXGAPNAEI-UHFFFAOYSA-N -1 3 377.311 0.982 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2=O)cn1 ZINC000822680335 606757306 /nfs/dbraw/zinc/75/73/06/606757306.db2.gz LWJHTNCKFMKDHZ-GFCCVEGCSA-N -1 3 389.322 0.841 20 0 GCADHM Cn1cc(N2CC[C@@H](OC(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2=O)cn1 ZINC000822680335 606757307 /nfs/dbraw/zinc/75/73/07/606757307.db2.gz LWJHTNCKFMKDHZ-GFCCVEGCSA-N -1 3 389.322 0.841 20 0 GCADHM Cn1cc([C@]2(C)CN(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822669881 606757539 /nfs/dbraw/zinc/75/75/39/606757539.db2.gz SZYWBKVLVXXJDL-IBGZPJMESA-N -1 3 396.455 0.464 20 0 GCADHM Cn1cc([C@]2(C)CN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822669881 606757541 /nfs/dbraw/zinc/75/75/41/606757541.db2.gz SZYWBKVLVXXJDL-IBGZPJMESA-N -1 3 396.455 0.464 20 0 GCADHM Cn1cc([C@@]2(C)CN(C[C@@H](O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822669860 606757648 /nfs/dbraw/zinc/75/76/48/606757648.db2.gz SGPAIZHUMBUPJR-VQIMIIECSA-N -1 3 399.455 0.588 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](CO)Cc1ccco1 ZINC000823005239 606760660 /nfs/dbraw/zinc/76/06/60/606760660.db2.gz IHUYYHMNEMILRL-GFCCVEGCSA-N -1 3 384.396 0.157 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](CO)Cc1ccco1 ZINC000823005239 606760662 /nfs/dbraw/zinc/76/06/62/606760662.db2.gz IHUYYHMNEMILRL-GFCCVEGCSA-N -1 3 384.396 0.157 20 0 GCADHM O=C(COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1cc(-n2cnnn2)ccc1F ZINC000823022965 606761983 /nfs/dbraw/zinc/76/19/83/606761983.db2.gz SPJLTSCQNCMPNO-UHFFFAOYSA-N -1 3 398.318 0.105 20 0 GCADHM O=C(COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1cc(-n2cnnn2)ccc1F ZINC000823022965 606761984 /nfs/dbraw/zinc/76/19/84/606761984.db2.gz SPJLTSCQNCMPNO-UHFFFAOYSA-N -1 3 398.318 0.105 20 0 GCADHM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)C[C@H]21 ZINC000821628742 606762846 /nfs/dbraw/zinc/76/28/46/606762846.db2.gz PCVDTMAAAJWSNR-CHWSQXEVSA-N -1 3 391.819 0.000 20 0 GCADHM CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C[C@H]21 ZINC000821628742 606762848 /nfs/dbraw/zinc/76/28/48/606762848.db2.gz PCVDTMAAAJWSNR-CHWSQXEVSA-N -1 3 391.819 0.000 20 0 GCADHM Cn1cnnc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822705142 606764197 /nfs/dbraw/zinc/76/41/97/606764197.db2.gz XBNJFYFVGFKIIB-JTQLQIEISA-N -1 3 392.420 0.703 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822669688 606766640 /nfs/dbraw/zinc/76/66/40/606766640.db2.gz LRUZWJMHTDUHEK-SFHVURJKSA-N -1 3 383.412 0.753 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CCO2)cn1 ZINC000822669688 606766642 /nfs/dbraw/zinc/76/66/42/606766642.db2.gz LRUZWJMHTDUHEK-SFHVURJKSA-N -1 3 383.412 0.753 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821933158 606768011 /nfs/dbraw/zinc/76/80/11/606768011.db2.gz WFNPJCQWZWMOAO-AAEUAGOBSA-N -1 3 379.446 0.706 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821933158 606768013 /nfs/dbraw/zinc/76/80/13/606768013.db2.gz WFNPJCQWZWMOAO-AAEUAGOBSA-N -1 3 379.446 0.706 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)CN1C[C@@]2(CCOC2)CC1=O ZINC000821690422 606768184 /nfs/dbraw/zinc/76/81/84/606768184.db2.gz LCPDVFWZXGUAAY-LJQANCHMSA-N -1 3 386.456 0.912 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)CN1C[C@@]2(CCOC2)CC1=O ZINC000821690422 606768186 /nfs/dbraw/zinc/76/81/86/606768186.db2.gz LCPDVFWZXGUAAY-LJQANCHMSA-N -1 3 386.456 0.912 20 0 GCADHM Cn1cc([C@@]2(C)CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822669473 606768253 /nfs/dbraw/zinc/76/82/53/606768253.db2.gz KNRVPDHRLKYZOS-GOSISDBHSA-N -1 3 396.411 0.313 20 0 GCADHM Cn1cc([C@@]2(C)CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822669473 606768254 /nfs/dbraw/zinc/76/82/54/606768254.db2.gz KNRVPDHRLKYZOS-GOSISDBHSA-N -1 3 396.411 0.313 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821933286 606768292 /nfs/dbraw/zinc/76/82/92/606768292.db2.gz ZGPSBOVDMNLTIW-DGCLKSJQSA-N -1 3 379.446 0.706 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821933286 606768293 /nfs/dbraw/zinc/76/82/93/606768293.db2.gz ZGPSBOVDMNLTIW-DGCLKSJQSA-N -1 3 379.446 0.706 20 0 GCADHM CN(C)C(=O)CN1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821575907 606775260 /nfs/dbraw/zinc/77/52/60/606775260.db2.gz UYJHJZVCKPNLQH-UHFFFAOYSA-N -1 3 376.396 0.244 20 0 GCADHM CN(C)C(=O)CN1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821575907 606775261 /nfs/dbraw/zinc/77/52/61/606775261.db2.gz UYJHJZVCKPNLQH-UHFFFAOYSA-N -1 3 376.396 0.244 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000821650334 606775842 /nfs/dbraw/zinc/77/58/42/606775842.db2.gz PMLPVDLQDRMWEP-CYBMUJFWSA-N -1 3 379.442 0.590 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000821650334 606775845 /nfs/dbraw/zinc/77/58/45/606775845.db2.gz PMLPVDLQDRMWEP-CYBMUJFWSA-N -1 3 379.442 0.590 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000821650335 606775917 /nfs/dbraw/zinc/77/59/17/606775917.db2.gz PMLPVDLQDRMWEP-ZDUSSCGKSA-N -1 3 379.442 0.590 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000821650335 606775919 /nfs/dbraw/zinc/77/59/19/606775919.db2.gz PMLPVDLQDRMWEP-ZDUSSCGKSA-N -1 3 379.442 0.590 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@H](O)COc1ccccc1 ZINC000820788227 606777658 /nfs/dbraw/zinc/77/76/58/606777658.db2.gz BDUHZLBYRIDJIP-CABCVRRESA-N -1 3 396.455 0.607 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C[C@H](O)COc1ccccc1 ZINC000820788227 606777659 /nfs/dbraw/zinc/77/76/59/606777659.db2.gz BDUHZLBYRIDJIP-CABCVRRESA-N -1 3 396.455 0.607 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CCOCC1 ZINC000820348384 606799793 /nfs/dbraw/zinc/79/97/93/606799793.db2.gz BPMQXAKMYJIBHH-ZDUSSCGKSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CCOCC1 ZINC000820348384 606799794 /nfs/dbraw/zinc/79/97/94/606799794.db2.gz BPMQXAKMYJIBHH-ZDUSSCGKSA-N -1 3 386.460 0.908 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000820838617 606800928 /nfs/dbraw/zinc/80/09/28/606800928.db2.gz YAZYGYVNIREPPF-ZDUSSCGKSA-N -1 3 399.459 0.104 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000820838617 606800930 /nfs/dbraw/zinc/80/09/30/606800930.db2.gz YAZYGYVNIREPPF-ZDUSSCGKSA-N -1 3 399.459 0.104 20 0 GCADHM COc1ncc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1C(N)=O ZINC000821920742 606802550 /nfs/dbraw/zinc/80/25/50/606802550.db2.gz XWKUIYMAMVBSPB-VIFPVBQESA-N -1 3 383.368 0.775 20 0 GCADHM COc1ncc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1C(N)=O ZINC000821920742 606802552 /nfs/dbraw/zinc/80/25/52/606802552.db2.gz XWKUIYMAMVBSPB-VIFPVBQESA-N -1 3 383.368 0.775 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)[C@H]1CCNC(=O)C1 ZINC000823519233 606808341 /nfs/dbraw/zinc/80/83/41/606808341.db2.gz FGLLAYGKVXWGCC-NSHDSACASA-N -1 3 385.428 0.293 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)[C@H]1CCNC(=O)C1 ZINC000823519233 606808342 /nfs/dbraw/zinc/80/83/42/606808342.db2.gz FGLLAYGKVXWGCC-NSHDSACASA-N -1 3 385.428 0.293 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820295087 606808876 /nfs/dbraw/zinc/80/88/76/606808876.db2.gz XTKWPRPRIPPQGM-LLVKDONJSA-N -1 3 399.498 0.594 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820295087 606808878 /nfs/dbraw/zinc/80/88/78/606808878.db2.gz XTKWPRPRIPPQGM-LLVKDONJSA-N -1 3 399.498 0.594 20 0 GCADHM CNC(=O)c1cc(N(C)S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000821635085 606809743 /nfs/dbraw/zinc/80/97/43/606809743.db2.gz LRGLUHIMPCHIGV-UHFFFAOYSA-N -1 3 387.425 0.588 20 0 GCADHM CNC(=O)c1cc(N(C)S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000821635085 606809744 /nfs/dbraw/zinc/80/97/44/606809744.db2.gz LRGLUHIMPCHIGV-UHFFFAOYSA-N -1 3 387.425 0.588 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCc2ccccc2[C@@H]1CO ZINC000823202211 606810358 /nfs/dbraw/zinc/81/03/58/606810358.db2.gz UKFLEBMLSOUWOI-INIZCTEOSA-N -1 3 394.439 0.975 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCc2ccccc2[C@@H]1CO ZINC000823202211 606810359 /nfs/dbraw/zinc/81/03/59/606810359.db2.gz UKFLEBMLSOUWOI-INIZCTEOSA-N -1 3 394.439 0.975 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCc2ccccc2[C@H]1CO ZINC000823206167 606811904 /nfs/dbraw/zinc/81/19/04/606811904.db2.gz MIHCIFYLQDETNT-MRXNPFEDSA-N -1 3 394.439 0.975 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCc2ccccc2[C@H]1CO ZINC000823206167 606811907 /nfs/dbraw/zinc/81/19/07/606811907.db2.gz MIHCIFYLQDETNT-MRXNPFEDSA-N -1 3 394.439 0.975 20 0 GCADHM O=C(N[C@@H]1CC[S@@](=O)C1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000823154608 606812223 /nfs/dbraw/zinc/81/22/23/606812223.db2.gz HOGFAEOKHQPBJE-KHXSAUHESA-N -1 3 393.448 0.358 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820838550 606813513 /nfs/dbraw/zinc/81/35/13/606813513.db2.gz VTIYKAXKJJYXRR-HOCLYGCPSA-N -1 3 383.456 0.963 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820838548 606813586 /nfs/dbraw/zinc/81/35/86/606813586.db2.gz VTIYKAXKJJYXRR-GDBMZVCRSA-N -1 3 383.456 0.963 20 0 GCADHM Cn1cc(NC(=O)C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000822684588 606814283 /nfs/dbraw/zinc/81/42/83/606814283.db2.gz CWLVOIFQZRWJOX-UHFFFAOYSA-N -1 3 395.427 0.278 20 0 GCADHM Cn1cc(NC(=O)C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000822684588 606814284 /nfs/dbraw/zinc/81/42/84/606814284.db2.gz CWLVOIFQZRWJOX-UHFFFAOYSA-N -1 3 395.427 0.278 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000823246328 606815000 /nfs/dbraw/zinc/81/50/00/606815000.db2.gz LDRUAGVJYBKUMM-UHFFFAOYSA-N -1 3 376.327 0.583 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000823246328 606815002 /nfs/dbraw/zinc/81/50/02/606815002.db2.gz LDRUAGVJYBKUMM-UHFFFAOYSA-N -1 3 376.327 0.583 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000823383787 606816443 /nfs/dbraw/zinc/81/64/43/606816443.db2.gz ZXKPAPWQFJTKLG-KGLIPLIRSA-N -1 3 393.411 0.456 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)N1C[C@H]2CCC[C@@H]21 ZINC000823383787 606816445 /nfs/dbraw/zinc/81/64/45/606816445.db2.gz ZXKPAPWQFJTKLG-KGLIPLIRSA-N -1 3 393.411 0.456 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000823383789 606816489 /nfs/dbraw/zinc/81/64/89/606816489.db2.gz ZXKPAPWQFJTKLG-UONOGXRCSA-N -1 3 393.411 0.456 20 0 GCADHM O=C(Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000823383789 606816491 /nfs/dbraw/zinc/81/64/91/606816491.db2.gz ZXKPAPWQFJTKLG-UONOGXRCSA-N -1 3 393.411 0.456 20 0 GCADHM CC(C)(C)OCCCOC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819949970 606816801 /nfs/dbraw/zinc/81/68/01/606816801.db2.gz DSKBHBHSTSDNCL-UHFFFAOYSA-N -1 3 397.457 0.893 20 0 GCADHM CC(C)(C)OCCCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819949970 606816802 /nfs/dbraw/zinc/81/68/02/606816802.db2.gz DSKBHBHSTSDNCL-UHFFFAOYSA-N -1 3 397.457 0.893 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000820838022 606817389 /nfs/dbraw/zinc/81/73/89/606817389.db2.gz OTXNKSZLXTWJJE-JTQLQIEISA-N -1 3 375.364 0.071 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000820838022 606817391 /nfs/dbraw/zinc/81/73/91/606817391.db2.gz OTXNKSZLXTWJJE-JTQLQIEISA-N -1 3 375.364 0.071 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821637638 606817416 /nfs/dbraw/zinc/81/74/16/606817416.db2.gz NWXNAJCATIBYMU-UHFFFAOYSA-N -1 3 395.441 0.097 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823308614 606817696 /nfs/dbraw/zinc/81/76/96/606817696.db2.gz HAWLTBRYNRFZOT-OAHLLOKOSA-N -1 3 397.439 0.713 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823308614 606817697 /nfs/dbraw/zinc/81/76/97/606817697.db2.gz HAWLTBRYNRFZOT-OAHLLOKOSA-N -1 3 397.439 0.713 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000820838662 606818386 /nfs/dbraw/zinc/81/83/86/606818386.db2.gz ZCCZVBBBLLSNNJ-GFCCVEGCSA-N -1 3 395.427 0.375 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000820838662 606818387 /nfs/dbraw/zinc/81/83/87/606818387.db2.gz ZCCZVBBBLLSNNJ-GFCCVEGCSA-N -1 3 395.427 0.375 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821933185 606818756 /nfs/dbraw/zinc/81/87/56/606818756.db2.gz WNELESGTZAOCTE-TZMCWYRMSA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821933184 606819123 /nfs/dbraw/zinc/81/91/23/606819123.db2.gz WNELESGTZAOCTE-OCCSQVGLSA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821932453 606819144 /nfs/dbraw/zinc/81/91/44/606819144.db2.gz NECZVZRTMOYINO-GXTWGEPZSA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821932453 606819146 /nfs/dbraw/zinc/81/91/46/606819146.db2.gz NECZVZRTMOYINO-GXTWGEPZSA-N -1 3 394.457 0.080 20 0 GCADHM O=C(Nc1ccsc1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823375628 606822946 /nfs/dbraw/zinc/82/29/46/606822946.db2.gz CDVWKGDKAHOJCP-UHFFFAOYSA-N -1 3 384.425 0.611 20 0 GCADHM O=C(Nc1ccsc1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823375628 606822947 /nfs/dbraw/zinc/82/29/47/606822947.db2.gz CDVWKGDKAHOJCP-UHFFFAOYSA-N -1 3 384.425 0.611 20 0 GCADHM Cc1nn(CC(=O)NCc2ccc(N3CCCC3=O)cc2)c(N)c1-c1nnn[n-]1 ZINC000822500716 606827326 /nfs/dbraw/zinc/82/73/26/606827326.db2.gz CYCIPEHTPQLDLW-UHFFFAOYSA-N -1 3 395.427 0.397 20 0 GCADHM Cc1nn(CC(=O)NCc2ccc(N3CCCC3=O)cc2)c(N)c1-c1nn[n-]n1 ZINC000822500716 606827328 /nfs/dbraw/zinc/82/73/28/606827328.db2.gz CYCIPEHTPQLDLW-UHFFFAOYSA-N -1 3 395.427 0.397 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821285296 606831298 /nfs/dbraw/zinc/83/12/98/606831298.db2.gz IYPGPKGMGZKBLQ-UHFFFAOYSA-N -1 3 383.409 0.042 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821637905 606839893 /nfs/dbraw/zinc/83/98/93/606839893.db2.gz YTBIMMSKLSOTDO-UHFFFAOYSA-N -1 3 376.373 0.129 20 0 GCADHM COC(=O)C(C)(C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821637905 606839895 /nfs/dbraw/zinc/83/98/95/606839895.db2.gz YTBIMMSKLSOTDO-UHFFFAOYSA-N -1 3 376.373 0.129 20 0 GCADHM CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000819891642 606840288 /nfs/dbraw/zinc/84/02/88/606840288.db2.gz FOVIPXPCOSIGEQ-UHFFFAOYSA-N -1 3 396.448 0.885 20 0 GCADHM CC(=O)NCC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000819810994 606841246 /nfs/dbraw/zinc/84/12/46/606841246.db2.gz SKDXDRVGOJQXBK-UHFFFAOYSA-N -1 3 382.421 0.543 20 0 GCADHM CCOC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000821335074 606842017 /nfs/dbraw/zinc/84/20/17/606842017.db2.gz XGTSHWVFYVJNNK-LLVKDONJSA-N -1 3 398.420 0.905 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000820295172 606843560 /nfs/dbraw/zinc/84/35/60/606843560.db2.gz ZVJTVCXFNWWERV-MRVPVSSYSA-N -1 3 377.423 0.059 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C[C@H]1C ZINC000821378852 606843949 /nfs/dbraw/zinc/84/39/49/606843949.db2.gz VMAYKQDUZVGZAG-GFCCVEGCSA-N -1 3 398.464 0.737 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)C[C@H]1C ZINC000821378852 606843952 /nfs/dbraw/zinc/84/39/52/606843952.db2.gz VMAYKQDUZVGZAG-GFCCVEGCSA-N -1 3 398.464 0.737 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@H]1Cn1cncn1 ZINC000823606773 606844473 /nfs/dbraw/zinc/84/44/73/606844473.db2.gz MCJHUYNCLBLYIW-NSHDSACASA-N -1 3 378.393 0.451 20 0 GCADHM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000822865119 606844643 /nfs/dbraw/zinc/84/46/43/606844643.db2.gz VUSMGJUAOIHNJE-SNVBAGLBSA-N -1 3 382.421 0.672 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN(CC(F)F)CC1 ZINC000823606866 606844761 /nfs/dbraw/zinc/84/47/61/606844761.db2.gz OHYBJXIJVDTNLD-UHFFFAOYSA-N -1 3 376.364 0.577 20 0 GCADHM CO[C@@H](C)c1noc(CN(C)S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000821675206 606845341 /nfs/dbraw/zinc/84/53/41/606845341.db2.gz GKFRTIPFVBEOQW-QMMMGPOBSA-N -1 3 397.392 0.917 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000823601178 606845778 /nfs/dbraw/zinc/84/57/78/606845778.db2.gz VBYBXLLZNDBBEZ-GFCCVEGCSA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823566161 606846832 /nfs/dbraw/zinc/84/68/32/606846832.db2.gz AFQCCDLBSBJOHP-CABCVRRESA-N -1 3 379.442 0.576 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823566161 606846833 /nfs/dbraw/zinc/84/68/33/606846833.db2.gz AFQCCDLBSBJOHP-CABCVRRESA-N -1 3 379.442 0.576 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823600329 606846913 /nfs/dbraw/zinc/84/69/13/606846913.db2.gz GJEMGSFFBSIZGU-CHWSQXEVSA-N -1 3 383.405 0.574 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823600329 606846915 /nfs/dbraw/zinc/84/69/15/606846915.db2.gz GJEMGSFFBSIZGU-CHWSQXEVSA-N -1 3 383.405 0.574 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000822222387 606846938 /nfs/dbraw/zinc/84/69/38/606846938.db2.gz FIVJYEZFFFDLPB-ZIAGYGMSSA-N -1 3 379.442 0.744 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000822222387 606846939 /nfs/dbraw/zinc/84/69/39/606846939.db2.gz FIVJYEZFFFDLPB-ZIAGYGMSSA-N -1 3 379.442 0.744 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819857310 606849972 /nfs/dbraw/zinc/84/99/72/606849972.db2.gz QXNSZJPENDMKOZ-DYVFJYSZSA-N -1 3 385.472 0.185 20 0 GCADHM NC(=O)c1ccc(C(F)(F)F)n(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000822879580 606851552 /nfs/dbraw/zinc/85/15/52/606851552.db2.gz DGKLFBLOVRZRGB-LLVKDONJSA-N -1 3 394.313 0.880 20 0 GCADHM NC(=O)c1ccc(C(F)(F)F)n(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000822879580 606851554 /nfs/dbraw/zinc/85/15/54/606851554.db2.gz DGKLFBLOVRZRGB-LLVKDONJSA-N -1 3 394.313 0.880 20 0 GCADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@H](O)COC(C)(C)C ZINC000820788754 606852691 /nfs/dbraw/zinc/85/26/91/606852691.db2.gz NNOWFKKRQSDEJM-STQMWFEESA-N -1 3 376.465 0.343 20 0 GCADHM CCCn1cnc2c1c(=O)n(C[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)c(=O)n2C ZINC000821149438 606857326 /nfs/dbraw/zinc/85/73/26/606857326.db2.gz YQCVDAYZJRKAFZ-CYBMUJFWSA-N -1 3 396.411 0.220 20 0 GCADHM CCCn1cnc2c1c(=O)n(C[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)c(=O)n2C ZINC000821149438 606857327 /nfs/dbraw/zinc/85/73/27/606857327.db2.gz YQCVDAYZJRKAFZ-CYBMUJFWSA-N -1 3 396.411 0.220 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000819923409 606861006 /nfs/dbraw/zinc/86/10/06/606861006.db2.gz ZYXVSMOBPPNBSQ-GJZGRUSLSA-N -1 3 375.429 0.943 20 0 GCADHM CC(C)(C)OC(=O)[C@@H]1CN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000819923409 606861007 /nfs/dbraw/zinc/86/10/07/606861007.db2.gz ZYXVSMOBPPNBSQ-GJZGRUSLSA-N -1 3 375.429 0.943 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(C[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822674335 606862800 /nfs/dbraw/zinc/86/28/00/606862800.db2.gz QQVZNEPUVHIHCI-LSDHHAIUSA-N -1 3 381.396 0.251 20 0 GCADHM Cn1cc(C[C@H]2CC(=O)N(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674335 606862801 /nfs/dbraw/zinc/86/28/01/606862801.db2.gz QQVZNEPUVHIHCI-LSDHHAIUSA-N -1 3 381.396 0.251 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)NCc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696902 606862910 /nfs/dbraw/zinc/86/29/10/606862910.db2.gz TZXLHOCVIUGMJA-CYBMUJFWSA-N -1 3 383.416 0.419 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)NCc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696902 606862911 /nfs/dbraw/zinc/86/29/11/606862911.db2.gz TZXLHOCVIUGMJA-CYBMUJFWSA-N -1 3 383.416 0.419 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696609 606863288 /nfs/dbraw/zinc/86/32/88/606863288.db2.gz JNWVAPJILWJLIK-RISCZKNCSA-N -1 3 397.443 0.980 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H](C)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696609 606863290 /nfs/dbraw/zinc/86/32/90/606863290.db2.gz JNWVAPJILWJLIK-RISCZKNCSA-N -1 3 397.443 0.980 20 0 GCADHM CCCc1nc(CS(=O)(=O)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000821142264 606863910 /nfs/dbraw/zinc/86/39/10/606863910.db2.gz FVHWIQACBKRHLP-LBPRGKRZSA-N -1 3 378.414 0.851 20 0 GCADHM CCCc1nc(CS(=O)(=O)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000821142264 606863911 /nfs/dbraw/zinc/86/39/11/606863911.db2.gz FVHWIQACBKRHLP-LBPRGKRZSA-N -1 3 378.414 0.851 20 0 GCADHM CCCc1noc(CS(=O)(=O)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821142230 606863955 /nfs/dbraw/zinc/86/39/55/606863955.db2.gz FMUWZSVVNNRTER-GFCCVEGCSA-N -1 3 378.414 0.851 20 0 GCADHM CCCc1noc(CS(=O)(=O)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821142230 606863956 /nfs/dbraw/zinc/86/39/56/606863956.db2.gz FMUWZSVVNNRTER-GFCCVEGCSA-N -1 3 378.414 0.851 20 0 GCADHM Cn1c2ncn(CCCOc3cccc(-c4nnn[n-]4)c3)c2c(=O)n(C)c1=O ZINC000822596826 606865453 /nfs/dbraw/zinc/86/54/53/606865453.db2.gz VPNOPRMCHSIURN-UHFFFAOYSA-N -1 3 382.384 0.083 20 0 GCADHM Cn1c2ncn(CCCOc3cccc(-c4nn[n-]n4)c3)c2c(=O)n(C)c1=O ZINC000822596826 606865455 /nfs/dbraw/zinc/86/54/55/606865455.db2.gz VPNOPRMCHSIURN-UHFFFAOYSA-N -1 3 382.384 0.083 20 0 GCADHM Cc1noc(CCCN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000822528061 606867512 /nfs/dbraw/zinc/86/75/12/606867512.db2.gz RAOCPNLXLWFXOR-KRWDZBQOSA-N -1 3 382.384 0.958 20 0 GCADHM Cc1noc(CCCN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000822528061 606867514 /nfs/dbraw/zinc/86/75/14/606867514.db2.gz RAOCPNLXLWFXOR-KRWDZBQOSA-N -1 3 382.384 0.958 20 0 GCADHM NS(=O)(=O)c1ccccc1OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000822899931 606868969 /nfs/dbraw/zinc/86/89/69/606868969.db2.gz YVAZEVMWROEVJW-UHFFFAOYSA-N -1 3 380.411 0.593 20 0 GCADHM NS(=O)(=O)c1ccccc1OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000822899931 606868970 /nfs/dbraw/zinc/86/89/70/606868970.db2.gz YVAZEVMWROEVJW-UHFFFAOYSA-N -1 3 380.411 0.593 20 0 GCADHM NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822860628 606870181 /nfs/dbraw/zinc/87/01/81/606870181.db2.gz ZTHUJVRYJXSLAJ-GJZGRUSLSA-N -1 3 387.444 0.979 20 0 GCADHM NS(=O)(=O)c1ccccc1OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822899007 606870618 /nfs/dbraw/zinc/87/06/18/606870618.db2.gz DNZUQFQWICNYMT-UHFFFAOYSA-N -1 3 388.409 0.209 20 0 GCADHM NS(=O)(=O)c1ccccc1OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822899007 606870619 /nfs/dbraw/zinc/87/06/19/606870619.db2.gz DNZUQFQWICNYMT-UHFFFAOYSA-N -1 3 388.409 0.209 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)CCN2C1=O ZINC000821241246 606871348 /nfs/dbraw/zinc/87/13/48/606871348.db2.gz LAHVLQRXEBNOOD-SMDDNHRTSA-N -1 3 398.427 0.606 20 0 GCADHM CCN1C(=O)[C@H]2CN(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)CCN2C1=O ZINC000821241246 606871349 /nfs/dbraw/zinc/87/13/49/606871349.db2.gz LAHVLQRXEBNOOD-SMDDNHRTSA-N -1 3 398.427 0.606 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696848 606871493 /nfs/dbraw/zinc/87/14/93/606871493.db2.gz RMFXHMKDTBUWBV-FZMZJTMJSA-N -1 3 397.443 0.980 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696848 606871495 /nfs/dbraw/zinc/87/14/95/606871495.db2.gz RMFXHMKDTBUWBV-FZMZJTMJSA-N -1 3 397.443 0.980 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823573102 606873964 /nfs/dbraw/zinc/87/39/64/606873964.db2.gz RSAVZWSGEMDYTQ-HOTGVXAUSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823573102 606873965 /nfs/dbraw/zinc/87/39/65/606873965.db2.gz RSAVZWSGEMDYTQ-HOTGVXAUSA-N -1 3 392.485 0.788 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823146892 606885627 /nfs/dbraw/zinc/88/56/27/606885627.db2.gz ZNMKHUKCUUPAIP-LBPRGKRZSA-N -1 3 398.395 0.577 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823146892 606885629 /nfs/dbraw/zinc/88/56/29/606885629.db2.gz ZNMKHUKCUUPAIP-LBPRGKRZSA-N -1 3 398.395 0.577 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820684225 606885864 /nfs/dbraw/zinc/88/58/64/606885864.db2.gz NMGVGWHEIJDPPA-JGVFFNPUSA-N -1 3 386.384 0.419 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820684225 606885866 /nfs/dbraw/zinc/88/58/66/606885866.db2.gz NMGVGWHEIJDPPA-JGVFFNPUSA-N -1 3 386.384 0.419 20 0 GCADHM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821631187 606886752 /nfs/dbraw/zinc/88/67/52/606886752.db2.gz ARYJXHFPIMEVHM-LLVKDONJSA-N -1 3 386.384 0.434 20 0 GCADHM CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821631187 606886753 /nfs/dbraw/zinc/88/67/53/606886753.db2.gz ARYJXHFPIMEVHM-LLVKDONJSA-N -1 3 386.384 0.434 20 0 GCADHM COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821638823 606887053 /nfs/dbraw/zinc/88/70/53/606887053.db2.gz IWSAXDKOSRJGEM-ZETCQYMHSA-N -1 3 375.357 0.575 20 0 GCADHM COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821638823 606887055 /nfs/dbraw/zinc/88/70/55/606887055.db2.gz IWSAXDKOSRJGEM-ZETCQYMHSA-N -1 3 375.357 0.575 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820642064 606891868 /nfs/dbraw/zinc/89/18/68/606891868.db2.gz GOWXYGGXXQSRRL-MRSAXXFRSA-N -1 3 391.425 0.675 20 0 GCADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820642064 606891870 /nfs/dbraw/zinc/89/18/70/606891870.db2.gz GOWXYGGXXQSRRL-MRSAXXFRSA-N -1 3 391.425 0.675 20 0 GCADHM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823525311 606895234 /nfs/dbraw/zinc/89/52/34/606895234.db2.gz LVGMOSLWEZBKDO-BDAKNGLRSA-N -1 3 384.368 0.187 20 0 GCADHM O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823525311 606895235 /nfs/dbraw/zinc/89/52/35/606895235.db2.gz LVGMOSLWEZBKDO-BDAKNGLRSA-N -1 3 384.368 0.187 20 0 GCADHM Cc1nc2n(n1)CCN(S(=O)(=O)c1c(F)cc(-c3nnn[n-]3)cc1F)C2 ZINC000822463386 606896276 /nfs/dbraw/zinc/89/62/76/606896276.db2.gz PPMABUXPJXMMNJ-UHFFFAOYSA-N -1 3 382.356 0.249 20 0 GCADHM Cc1nc2n(n1)CCN(S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)C2 ZINC000822463386 606896278 /nfs/dbraw/zinc/89/62/78/606896278.db2.gz PPMABUXPJXMMNJ-UHFFFAOYSA-N -1 3 382.356 0.249 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000822153017 606898015 /nfs/dbraw/zinc/89/80/15/606898015.db2.gz KFXKFBFYLSSVDV-QWHCGFSZSA-N -1 3 378.458 0.888 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000822153017 606898016 /nfs/dbraw/zinc/89/80/16/606898016.db2.gz KFXKFBFYLSSVDV-QWHCGFSZSA-N -1 3 378.458 0.888 20 0 GCADHM NS(=O)(=O)CCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822894779 606901123 /nfs/dbraw/zinc/90/11/23/606901123.db2.gz GBVAQPDSQNNRPF-UHFFFAOYSA-N -1 3 379.320 0.721 20 0 GCADHM NS(=O)(=O)CCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822894779 606901124 /nfs/dbraw/zinc/90/11/24/606901124.db2.gz GBVAQPDSQNNRPF-UHFFFAOYSA-N -1 3 379.320 0.721 20 0 GCADHM COC(=O)CNC(=O)COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821662592 606901406 /nfs/dbraw/zinc/90/14/06/606901406.db2.gz JSNIEQMHAFJHEX-UHFFFAOYSA-N -1 3 387.274 0.332 20 0 GCADHM COC(=O)CNC(=O)COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821662592 606901408 /nfs/dbraw/zinc/90/14/08/606901408.db2.gz JSNIEQMHAFJHEX-UHFFFAOYSA-N -1 3 387.274 0.332 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)CC2 ZINC000821696467 606904540 /nfs/dbraw/zinc/90/45/40/606904540.db2.gz DMUGTWPUJWPLAN-NWDGAFQWSA-N -1 3 398.427 0.503 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696467 606904542 /nfs/dbraw/zinc/90/45/42/606904542.db2.gz DMUGTWPUJWPLAN-NWDGAFQWSA-N -1 3 398.427 0.503 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000821696907 606904699 /nfs/dbraw/zinc/90/46/99/606904699.db2.gz UBWZVTOEMQZJBG-PPGNKHEKSA-N -1 3 380.412 0.749 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696907 606904701 /nfs/dbraw/zinc/90/47/01/606904701.db2.gz UBWZVTOEMQZJBG-PPGNKHEKSA-N -1 3 380.412 0.749 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)CCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696484 606904730 /nfs/dbraw/zinc/90/47/30/606904730.db2.gz FEGNGCNDXPFJTQ-CQSZACIVSA-N -1 3 382.428 0.668 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)CCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696484 606904732 /nfs/dbraw/zinc/90/47/32/606904732.db2.gz FEGNGCNDXPFJTQ-CQSZACIVSA-N -1 3 382.428 0.668 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)CCc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696483 606904777 /nfs/dbraw/zinc/90/47/77/606904777.db2.gz FEGNGCNDXPFJTQ-AWEZNQCLSA-N -1 3 382.428 0.668 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)CCc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696483 606904778 /nfs/dbraw/zinc/90/47/78/606904778.db2.gz FEGNGCNDXPFJTQ-AWEZNQCLSA-N -1 3 382.428 0.668 20 0 GCADHM O[C@H](CN1CCO[C@@H](CNc2cccnn2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823681532 606906273 /nfs/dbraw/zinc/90/62/73/606906273.db2.gz GAFIYIWBTLLPLC-JKSUJKDBSA-N -1 3 382.428 0.503 20 0 GCADHM O[C@H](CN1CCO[C@@H](CNc2cccnn2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823681532 606906274 /nfs/dbraw/zinc/90/62/74/606906274.db2.gz GAFIYIWBTLLPLC-JKSUJKDBSA-N -1 3 382.428 0.503 20 0 GCADHM Cn1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1 ZINC000822684947 606906713 /nfs/dbraw/zinc/90/67/13/606906713.db2.gz NJTWGLHTBYCFAV-SFHVURJKSA-N -1 3 379.380 0.855 20 0 GCADHM Cn1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1 ZINC000822684947 606906714 /nfs/dbraw/zinc/90/67/14/606906714.db2.gz NJTWGLHTBYCFAV-SFHVURJKSA-N -1 3 379.380 0.855 20 0 GCADHM CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000820015489 606907090 /nfs/dbraw/zinc/90/70/90/606907090.db2.gz DCPBBCFMXFBDIX-ADLMAVQZSA-N -1 3 385.428 0.794 20 0 GCADHM CC(C)[C@@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820015489 606907092 /nfs/dbraw/zinc/90/70/92/606907092.db2.gz DCPBBCFMXFBDIX-ADLMAVQZSA-N -1 3 385.428 0.794 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc(F)cc3-c3nnn[n-]3)CCN2C1=O ZINC000821241312 606907987 /nfs/dbraw/zinc/90/79/87/606907987.db2.gz LUMGHYAPAPZJQE-LBPRGKRZSA-N -1 3 388.363 0.506 20 0 GCADHM CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc(F)cc3-c3nn[n-]n3)CCN2C1=O ZINC000821241312 606907989 /nfs/dbraw/zinc/90/79/89/606907989.db2.gz LUMGHYAPAPZJQE-LBPRGKRZSA-N -1 3 388.363 0.506 20 0 GCADHM O=C(NC1CCN(c2ccccc2-c2nnn[n-]2)CC1)c1ccc2nnnn2c1 ZINC000823155851 606908722 /nfs/dbraw/zinc/90/87/22/606908722.db2.gz YPQZMPZAKMINBL-UHFFFAOYSA-N -1 3 390.411 0.703 20 0 GCADHM O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1ccc2nnnn2c1 ZINC000823155851 606908724 /nfs/dbraw/zinc/90/87/24/606908724.db2.gz YPQZMPZAKMINBL-UHFFFAOYSA-N -1 3 390.411 0.703 20 0 GCADHM CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c(-c2nnn[n-]2)c1CC ZINC000821529146 606909141 /nfs/dbraw/zinc/90/91/41/606909141.db2.gz UDLRBCGOSKJAJM-LBPRGKRZSA-N -1 3 399.503 0.571 20 0 GCADHM CCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c(-c2nn[n-]n2)c1CC ZINC000821529146 606909142 /nfs/dbraw/zinc/90/91/42/606909142.db2.gz UDLRBCGOSKJAJM-LBPRGKRZSA-N -1 3 399.503 0.571 20 0 GCADHM C[C@H](C(=O)N1CCCC1)N1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819856711 606910601 /nfs/dbraw/zinc/91/06/01/606910601.db2.gz LCQWNKBNRNPSPQ-QAPCUYQASA-N -1 3 399.499 0.529 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822874220 606913280 /nfs/dbraw/zinc/91/32/80/606913280.db2.gz VELGNJKMDICLGX-UHFFFAOYSA-N -1 3 396.367 0.369 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822874220 606913281 /nfs/dbraw/zinc/91/32/81/606913281.db2.gz VELGNJKMDICLGX-UHFFFAOYSA-N -1 3 396.367 0.369 20 0 GCADHM NC(=O)NC(=O)CCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822873982 606913373 /nfs/dbraw/zinc/91/33/73/606913373.db2.gz NVPRROFKJMEKSE-UHFFFAOYSA-N -1 3 399.367 0.354 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)CNc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696413 606914039 /nfs/dbraw/zinc/91/40/39/606914039.db2.gz CHTOCQIHHVJNRW-ZDUSSCGKSA-N -1 3 383.416 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394.505 0.865 20 0 GCADHM CCc1nnc(NCC2CCN(S(C)(=O)=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000821534658 606925888 /nfs/dbraw/zinc/92/58/88/606925888.db2.gz BVBMWIVTSRTSOQ-UHFFFAOYSA-N -1 3 394.505 0.865 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN2C(=O)OC[C@H]2C1 ZINC000819866185 606934417 /nfs/dbraw/zinc/93/44/17/606934417.db2.gz KJVUEGFKOHTDGJ-MWLCHTKSSA-N -1 3 391.819 0.984 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN2C(=O)OC[C@H]2C1 ZINC000819866185 606934418 /nfs/dbraw/zinc/93/44/18/606934418.db2.gz KJVUEGFKOHTDGJ-MWLCHTKSSA-N -1 3 391.819 0.984 20 0 GCADHM O=C1OC[C@@H]2CN([C@H]3CCN(c4sccc4-c4nnn[n-]4)C3=O)CCN12 ZINC000823504195 606936180 /nfs/dbraw/zinc/93/61/80/606936180.db2.gz NCKMHLHBAPIUDV-ONGXEEELSA-N -1 3 375.414 0.170 20 0 GCADHM O=C1OC[C@@H]2CN([C@H]3CCN(c4sccc4-c4nn[n-]n4)C3=O)CCN12 ZINC000823504195 606936181 /nfs/dbraw/zinc/93/61/81/606936181.db2.gz NCKMHLHBAPIUDV-ONGXEEELSA-N -1 3 375.414 0.170 20 0 GCADHM CCc1nnc(N2CCN(CC[S@@](C)=O)CC2)c(-c2nnn[n-]2)c1CC 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HTGZCJHPYDMDIF-MFKMUULPSA-N -1 3 394.505 0.863 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@H]2CCCC[C@H]2N1 ZINC000281734937 606942919 /nfs/dbraw/zinc/94/29/19/606942919.db2.gz IAVJUEWFKMDZRA-OLZOCXBDSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@H]2CCCC[C@H]2N1 ZINC000281734937 606942921 /nfs/dbraw/zinc/94/29/21/606942921.db2.gz IAVJUEWFKMDZRA-OLZOCXBDSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)[C@H]2CCCC[C@@H]2N1 ZINC000823536198 606943842 /nfs/dbraw/zinc/94/38/42/606943842.db2.gz VHGKODWSKPMBPI-STQMWFEESA-N -1 3 380.405 0.438 20 0 GCADHM COC(=O)C[C@@H](C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821657844 606944553 /nfs/dbraw/zinc/94/45/53/606944553.db2.gz XLRQOPUQVDXJJC-LLVKDONJSA-N -1 3 376.392 0.854 20 0 GCADHM Nc1nsc(N2CCN(C(=O)C=Cc3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000822912213 606953545 /nfs/dbraw/zinc/95/35/45/606953545.db2.gz RJSOIGKSICFVQE-AATRIKPKSA-N -1 3 383.441 0.662 20 0 GCADHM Nc1nsc(N2CCN(C(=O)C=Cc3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000822912213 606953547 /nfs/dbraw/zinc/95/35/47/606953547.db2.gz RJSOIGKSICFVQE-AATRIKPKSA-N -1 3 383.441 0.662 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OC[C@@H]2C1 ZINC000822916790 606954238 /nfs/dbraw/zinc/95/42/38/606954238.db2.gz DFLAKDMWEZJCEQ-GJZGRUSLSA-N -1 3 383.412 0.499 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC000823613509 606960591 /nfs/dbraw/zinc/96/05/91/606960591.db2.gz KAWIHXDWYZBZDA-CYBMUJFWSA-N -1 3 380.449 0.311 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)C1 ZINC000823613509 606960592 /nfs/dbraw/zinc/96/05/92/606960592.db2.gz KAWIHXDWYZBZDA-CYBMUJFWSA-N -1 3 380.449 0.311 20 0 GCADHM CN(C(=O)CCN1CCCS1(=O)=O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569332 606960718 /nfs/dbraw/zinc/96/07/18/606960718.db2.gz GHIMPSNKDQEVIG-UHFFFAOYSA-N -1 3 384.849 0.909 20 0 GCADHM CN(C(=O)CCN1CCCS1(=O)=O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569332 606960719 /nfs/dbraw/zinc/96/07/19/606960719.db2.gz GHIMPSNKDQEVIG-UHFFFAOYSA-N -1 3 384.849 0.909 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000820316989 606964483 /nfs/dbraw/zinc/96/44/83/606964483.db2.gz YNTURMOERWEUCW-MRVPVSSYSA-N -1 3 378.364 0.791 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000820316989 606964484 /nfs/dbraw/zinc/96/44/84/606964484.db2.gz YNTURMOERWEUCW-MRVPVSSYSA-N -1 3 378.364 0.791 20 0 GCADHM CC[C@@H](O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820932215 606965902 /nfs/dbraw/zinc/96/59/02/606965902.db2.gz MQEASLWXDWYWFJ-GFCCVEGCSA-N -1 3 376.417 0.870 20 0 GCADHM CC[C@@H](O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820932215 606965904 /nfs/dbraw/zinc/96/59/04/606965904.db2.gz MQEASLWXDWYWFJ-GFCCVEGCSA-N -1 3 376.417 0.870 20 0 GCADHM CC[C@H](O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000820931509 606966010 /nfs/dbraw/zinc/96/60/10/606966010.db2.gz FZSWFNUHCFKXRV-VIFPVBQESA-N -1 3 384.343 0.684 20 0 GCADHM CC[C@H](O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000820931509 606966012 /nfs/dbraw/zinc/96/60/12/606966012.db2.gz FZSWFNUHCFKXRV-VIFPVBQESA-N -1 3 384.343 0.684 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000823331534 606967127 /nfs/dbraw/zinc/96/71/27/606967127.db2.gz FDHYTEAZPCITGA-SECBINFHSA-N -1 3 391.775 0.122 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000823331534 606967129 /nfs/dbraw/zinc/96/71/29/606967129.db2.gz FDHYTEAZPCITGA-SECBINFHSA-N -1 3 391.775 0.122 20 0 GCADHM NC(=O)c1ccc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)cn1 ZINC000822886038 606969746 /nfs/dbraw/zinc/96/97/46/606969746.db2.gz ZFMLUHWWASBZNM-UHFFFAOYSA-N -1 3 390.367 0.381 20 0 GCADHM NC(=O)c1ccc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)cn1 ZINC000822886038 606969748 /nfs/dbraw/zinc/96/97/48/606969748.db2.gz ZFMLUHWWASBZNM-UHFFFAOYSA-N -1 3 390.367 0.381 20 0 GCADHM Fc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1-c1nnn[n-]1 ZINC000822771457 606970761 /nfs/dbraw/zinc/97/07/61/606970761.db2.gz HXUQYWIRLFVJJY-UHFFFAOYSA-N -1 3 380.391 0.766 20 0 GCADHM Fc1ccc(CN2CCN(c3ccc4nncn4n3)CC2)cc1-c1nn[n-]n1 ZINC000822771457 606970762 /nfs/dbraw/zinc/97/07/62/606970762.db2.gz HXUQYWIRLFVJJY-UHFFFAOYSA-N -1 3 380.391 0.766 20 0 GCADHM CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736590129 606974701 /nfs/dbraw/zinc/97/47/01/606974701.db2.gz FGSCAKLNWAZVOI-UKRRQHHQSA-N -1 3 398.423 0.774 20 0 GCADHM CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736590129 606974703 /nfs/dbraw/zinc/97/47/03/606974703.db2.gz FGSCAKLNWAZVOI-UKRRQHHQSA-N -1 3 398.423 0.774 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccncc1 ZINC000820445925 606976410 /nfs/dbraw/zinc/97/64/10/606976410.db2.gz RPFSPCGDYILUTH-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccncc1 ZINC000820445925 606976411 /nfs/dbraw/zinc/97/64/11/606976411.db2.gz RPFSPCGDYILUTH-LLVKDONJSA-N -1 3 387.425 0.245 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccncc1 ZINC000820451031 606976775 /nfs/dbraw/zinc/97/67/75/606976775.db2.gz RDHZENXKDSCGBP-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccncc1 ZINC000820451031 606976777 /nfs/dbraw/zinc/97/67/77/606976777.db2.gz RDHZENXKDSCGBP-NSHDSACASA-N -1 3 387.425 0.245 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000820732982 606977334 /nfs/dbraw/zinc/97/73/34/606977334.db2.gz BPDYMDHJDOIGMQ-IJLUTSLNSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000820732982 606977335 /nfs/dbraw/zinc/97/73/35/606977335.db2.gz BPDYMDHJDOIGMQ-IJLUTSLNSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cccs1 ZINC000820450200 606979791 /nfs/dbraw/zinc/97/97/91/606979791.db2.gz HWPDOAGGRRUHJN-JTQLQIEISA-N -1 3 392.466 0.911 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cccs1 ZINC000820450200 606979792 /nfs/dbraw/zinc/97/97/92/606979792.db2.gz HWPDOAGGRRUHJN-JTQLQIEISA-N -1 3 392.466 0.911 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccco1 ZINC000820447436 606983460 /nfs/dbraw/zinc/98/34/60/606983460.db2.gz YXGIPPCGAJNBDA-NSHDSACASA-N -1 3 390.425 0.485 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccco1 ZINC000820447436 606983462 /nfs/dbraw/zinc/98/34/62/606983462.db2.gz YXGIPPCGAJNBDA-NSHDSACASA-N -1 3 390.425 0.485 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccco1 ZINC000820447432 606983502 /nfs/dbraw/zinc/98/35/02/606983502.db2.gz YXGIPPCGAJNBDA-LLVKDONJSA-N -1 3 390.425 0.485 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccco1 ZINC000820447432 606983503 /nfs/dbraw/zinc/98/35/03/606983503.db2.gz YXGIPPCGAJNBDA-LLVKDONJSA-N -1 3 390.425 0.485 20 0 GCADHM COCCc1noc(CN(C)CC(=O)NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821694301 606983690 /nfs/dbraw/zinc/98/36/90/606983690.db2.gz HIIKCWJUKMZHET-UHFFFAOYSA-N -1 3 386.416 0.187 20 0 GCADHM COCCc1noc(CN(C)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821694301 606983691 /nfs/dbraw/zinc/98/36/91/606983691.db2.gz HIIKCWJUKMZHET-UHFFFAOYSA-N -1 3 386.416 0.187 20 0 GCADHM COC(=O)C[C@H](C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821657566 606988590 /nfs/dbraw/zinc/98/85/90/606988590.db2.gz QDVHVMPPOHLFNF-NSHDSACASA-N -1 3 388.428 0.966 20 0 GCADHM COC(=O)C[C@H](C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821657566 606988591 /nfs/dbraw/zinc/98/85/91/606988591.db2.gz QDVHVMPPOHLFNF-NSHDSACASA-N -1 3 388.428 0.966 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C2CCC1CC2 ZINC000820443978 606988679 /nfs/dbraw/zinc/98/86/79/606988679.db2.gz CMQHYJJYRSIFDQ-QFWMXSHPSA-N -1 3 376.442 0.687 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C2CCC1CC2 ZINC000820443978 606988681 /nfs/dbraw/zinc/98/86/81/606988681.db2.gz CMQHYJJYRSIFDQ-QFWMXSHPSA-N -1 3 376.442 0.687 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C1CCCC1 ZINC000820438579 606988931 /nfs/dbraw/zinc/98/89/31/606988931.db2.gz SIYVCWIKDVOJDH-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C1CCCC1 ZINC000820438579 606988932 /nfs/dbraw/zinc/98/89/32/606988932.db2.gz SIYVCWIKDVOJDH-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823161308 606989801 /nfs/dbraw/zinc/98/98/01/606989801.db2.gz MGGPBONXXYJRCP-CQSZACIVSA-N -1 3 393.455 0.979 20 0 GCADHM CC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000820987964 606990364 /nfs/dbraw/zinc/99/03/64/606990364.db2.gz CNFJLEHWGDVBCF-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000820987964 606990366 /nfs/dbraw/zinc/99/03/66/606990366.db2.gz CNFJLEHWGDVBCF-AAEUAGOBSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)C1CCOCC1 ZINC000819864963 606991958 /nfs/dbraw/zinc/99/19/58/606991958.db2.gz AQVULVKCMVNDDZ-NSHDSACASA-N -1 3 379.442 0.465 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000820734761 606993564 /nfs/dbraw/zinc/99/35/64/606993564.db2.gz OMOATNXHDRKRLF-IJLUTSLNSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000820734761 606993565 /nfs/dbraw/zinc/99/35/65/606993565.db2.gz OMOATNXHDRKRLF-IJLUTSLNSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1CCCC1 ZINC000820443976 606993621 /nfs/dbraw/zinc/99/36/21/606993621.db2.gz CMQDNPOQKFYZGS-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCCC1 ZINC000820443976 606993622 /nfs/dbraw/zinc/99/36/22/606993622.db2.gz CMQDNPOQKFYZGS-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CNC(=O)c1cccnc1 ZINC000821689693 606994058 /nfs/dbraw/zinc/99/40/58/606994058.db2.gz IQAIXXPFPVZPPK-UHFFFAOYSA-N -1 3 395.423 0.667 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CNC(=O)c1cccnc1 ZINC000821689693 606994060 /nfs/dbraw/zinc/99/40/60/606994060.db2.gz IQAIXXPFPVZPPK-UHFFFAOYSA-N -1 3 395.423 0.667 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000821636413 606994916 /nfs/dbraw/zinc/99/49/16/606994916.db2.gz PXYIXVPRSZRRLW-UHFFFAOYSA-N -1 3 380.361 0.599 20 0 GCADHM CNS(=O)(=O)c1c[nH]c(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000821636413 606994917 /nfs/dbraw/zinc/99/49/17/606994917.db2.gz PXYIXVPRSZRRLW-UHFFFAOYSA-N -1 3 380.361 0.599 20 0 GCADHM C[C@H](C1CC1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820437803 606995102 /nfs/dbraw/zinc/99/51/02/606995102.db2.gz CWLOWZTWGUOSQL-WDEREUQCSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](C1CC1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820437803 606995104 /nfs/dbraw/zinc/99/51/04/606995104.db2.gz CWLOWZTWGUOSQL-WDEREUQCSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCO1 ZINC000820437786 606995392 /nfs/dbraw/zinc/99/53/92/606995392.db2.gz CJBSJYUSLAQJBL-SUNKGSAMSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC000820437786 606995393 /nfs/dbraw/zinc/99/53/93/606995393.db2.gz CJBSJYUSLAQJBL-SUNKGSAMSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC(C)(C)C1 ZINC000820438547 606995409 /nfs/dbraw/zinc/99/54/09/606995409.db2.gz RTMSUDKZGQGKMQ-NSHDSACASA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC(C)(C)C1 ZINC000820438547 606995410 /nfs/dbraw/zinc/99/54/10/606995410.db2.gz RTMSUDKZGQGKMQ-NSHDSACASA-N -1 3 394.457 0.171 20 0 GCADHM CN(CCCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC000821599490 606995653 /nfs/dbraw/zinc/99/56/53/606995653.db2.gz WWAANUILGCUCPW-UHFFFAOYSA-N -1 3 396.473 0.422 20 0 GCADHM CN(CCCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000821599490 606995654 /nfs/dbraw/zinc/99/56/54/606995654.db2.gz WWAANUILGCUCPW-UHFFFAOYSA-N -1 3 396.473 0.422 20 0 GCADHM CCn1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000821565042 606995739 /nfs/dbraw/zinc/99/57/39/606995739.db2.gz BCSVPRVLUQUNQV-JTQLQIEISA-N -1 3 390.429 0.389 20 0 GCADHM CCn1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821565042 606995741 /nfs/dbraw/zinc/99/57/41/606995741.db2.gz BCSVPRVLUQUNQV-JTQLQIEISA-N -1 3 390.429 0.389 20 0 GCADHM CCn1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821565074 606995755 /nfs/dbraw/zinc/99/57/55/606995755.db2.gz CLEDADYVMPYGJH-JTQLQIEISA-N -1 3 390.429 0.389 20 0 GCADHM CCn1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821565074 606995756 /nfs/dbraw/zinc/99/57/56/606995756.db2.gz CLEDADYVMPYGJH-JTQLQIEISA-N -1 3 390.429 0.389 20 0 GCADHM Cc1csc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822414694 606998804 /nfs/dbraw/zinc/99/88/04/606998804.db2.gz QCBRDRLTONQUPR-VIFPVBQESA-N -1 3 393.454 0.937 20 0 GCADHM Cc1csc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822414694 606998805 /nfs/dbraw/zinc/99/88/05/606998805.db2.gz QCBRDRLTONQUPR-VIFPVBQESA-N -1 3 393.454 0.937 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820438353 607001946 /nfs/dbraw/zinc/00/19/46/607001946.db2.gz NMLFPSOBYRDGQV-MNOVXSKESA-N -1 3 378.458 0.696 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820438353 607001948 /nfs/dbraw/zinc/00/19/48/607001948.db2.gz NMLFPSOBYRDGQV-MNOVXSKESA-N -1 3 378.458 0.696 20 0 GCADHM Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822199921 607002250 /nfs/dbraw/zinc/00/22/50/607002250.db2.gz NFCKPMRYQXOWAQ-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM Cc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822199921 607002251 /nfs/dbraw/zinc/00/22/51/607002251.db2.gz NFCKPMRYQXOWAQ-SNVBAGLBSA-N -1 3 391.413 0.146 20 0 GCADHM COC(=O)C[C@@H](C)C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821657657 607003938 /nfs/dbraw/zinc/00/39/38/607003938.db2.gz SPJABPROPGCYLW-SCZZXKLOSA-N -1 3 379.398 0.776 20 0 GCADHM COC(=O)C[C@@H](C)C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821657657 607003940 /nfs/dbraw/zinc/00/39/40/607003940.db2.gz SPJABPROPGCYLW-SCZZXKLOSA-N -1 3 379.398 0.776 20 0 GCADHM CS(=O)(=O)c1ccccc1NNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821944048 607004427 /nfs/dbraw/zinc/00/44/27/607004427.db2.gz ZOKPDEJJMFOAJJ-UHFFFAOYSA-N -1 3 394.438 0.576 20 0 GCADHM CS(=O)(=O)c1ccccc1NNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821944048 607004428 /nfs/dbraw/zinc/00/44/28/607004428.db2.gz ZOKPDEJJMFOAJJ-UHFFFAOYSA-N -1 3 394.438 0.576 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1nnc2n1CCCC2 ZINC000820438040 607004720 /nfs/dbraw/zinc/00/47/20/607004720.db2.gz GRDLKUASXCIKGU-LLVKDONJSA-N -1 3 388.457 0.975 20 0 GCADHM C[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1nnc2n1CCCC2 ZINC000820438040 607004722 /nfs/dbraw/zinc/00/47/22/607004722.db2.gz GRDLKUASXCIKGU-LLVKDONJSA-N -1 3 388.457 0.975 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000736589681 607005003 /nfs/dbraw/zinc/00/50/03/607005003.db2.gz ADPOZCWQGFSCNV-LLVKDONJSA-N -1 3 383.405 0.970 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000736589681 607005005 /nfs/dbraw/zinc/00/50/05/607005005.db2.gz ADPOZCWQGFSCNV-LLVKDONJSA-N -1 3 383.405 0.970 20 0 GCADHM C[C@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1nnc2n1CCCC2 ZINC000820438041 607005074 /nfs/dbraw/zinc/00/50/74/607005074.db2.gz GRDLKUASXCIKGU-NSHDSACASA-N -1 3 388.457 0.975 20 0 GCADHM C[C@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1nnc2n1CCCC2 ZINC000820438041 607005076 /nfs/dbraw/zinc/00/50/76/607005076.db2.gz GRDLKUASXCIKGU-NSHDSACASA-N -1 3 388.457 0.975 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000821640342 607007664 /nfs/dbraw/zinc/00/76/64/607007664.db2.gz GQAQKAXIXMREGM-CYBMUJFWSA-N -1 3 397.457 0.762 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821640342 607007665 /nfs/dbraw/zinc/00/76/65/607007665.db2.gz GQAQKAXIXMREGM-CYBMUJFWSA-N -1 3 397.457 0.762 20 0 GCADHM CCCN(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821087656 607016950 /nfs/dbraw/zinc/01/69/50/607016950.db2.gz DUJCEOJAVRYTDP-CQSZACIVSA-N -1 3 378.458 0.704 20 0 GCADHM CCCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000821087656 607016952 /nfs/dbraw/zinc/01/69/52/607016952.db2.gz DUJCEOJAVRYTDP-CQSZACIVSA-N -1 3 378.458 0.704 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1CCOCC1 ZINC000820444513 607017117 /nfs/dbraw/zinc/01/71/17/607017117.db2.gz JYYGIKHRHQHJTK-LLVKDONJSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1CCOCC1 ZINC000820444513 607017120 /nfs/dbraw/zinc/01/71/20/607017120.db2.gz JYYGIKHRHQHJTK-LLVKDONJSA-N -1 3 394.457 0.076 20 0 GCADHM COCCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821687046 607017222 /nfs/dbraw/zinc/01/72/22/607017222.db2.gz LLVUAOYOWIMZEG-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM COCCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821687046 607017225 /nfs/dbraw/zinc/01/72/25/607017225.db2.gz LLVUAOYOWIMZEG-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823521228 607017798 /nfs/dbraw/zinc/01/77/98/607017798.db2.gz SWGPPCFCPUBRJC-LBPRGKRZSA-N -1 3 398.423 0.997 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823521228 607017800 /nfs/dbraw/zinc/01/78/00/607017800.db2.gz SWGPPCFCPUBRJC-LBPRGKRZSA-N -1 3 398.423 0.997 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCO[C@@H](C)C1 ZINC000820733059 607020143 /nfs/dbraw/zinc/02/01/43/607020143.db2.gz CKMILXHLOKEJSM-RYUDHWBXSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCO[C@@H](C)C1 ZINC000820733059 607020144 /nfs/dbraw/zinc/02/01/44/607020144.db2.gz CKMILXHLOKEJSM-RYUDHWBXSA-N -1 3 394.457 0.171 20 0 GCADHM CCn1nccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821568131 607020373 /nfs/dbraw/zinc/02/03/73/607020373.db2.gz IMMYCIVFIJDZPR-JTQLQIEISA-N -1 3 390.429 0.389 20 0 GCADHM CCn1nccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821568131 607020375 /nfs/dbraw/zinc/02/03/75/607020375.db2.gz IMMYCIVFIJDZPR-JTQLQIEISA-N -1 3 390.429 0.389 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCN(CC(N)=O)CC1 ZINC000819991222 607020857 /nfs/dbraw/zinc/02/08/57/607020857.db2.gz CJEKIAACXVJJAM-UHFFFAOYSA-N -1 3 387.444 0.044 20 0 GCADHM COCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821685765 607020887 /nfs/dbraw/zinc/02/08/87/607020887.db2.gz OWGNLAWUESTZBF-WDEREUQCSA-N -1 3 382.446 0.075 20 0 GCADHM COCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821685765 607020888 /nfs/dbraw/zinc/02/08/88/607020888.db2.gz OWGNLAWUESTZBF-WDEREUQCSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820981518 607021396 /nfs/dbraw/zinc/02/13/96/607021396.db2.gz SEGDBFKZHFHUDF-AAEUAGOBSA-N -1 3 378.458 0.935 20 0 GCADHM CC[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820981518 607021397 /nfs/dbraw/zinc/02/13/97/607021397.db2.gz SEGDBFKZHFHUDF-AAEUAGOBSA-N -1 3 378.458 0.935 20 0 GCADHM CO[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821679762 607021443 /nfs/dbraw/zinc/02/14/43/607021443.db2.gz LQIPORLUWPTRRC-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821679762 607021444 /nfs/dbraw/zinc/02/14/44/607021444.db2.gz LQIPORLUWPTRRC-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000822418683 607021452 /nfs/dbraw/zinc/02/14/52/607021452.db2.gz DCTXZZREDYYFIB-JTQLQIEISA-N -1 3 390.429 0.512 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000822418683 607021453 /nfs/dbraw/zinc/02/14/53/607021453.db2.gz DCTXZZREDYYFIB-JTQLQIEISA-N -1 3 390.429 0.512 20 0 GCADHM CO[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821679760 607021496 /nfs/dbraw/zinc/02/14/96/607021496.db2.gz LQIPORLUWPTRRC-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821679760 607021497 /nfs/dbraw/zinc/02/14/97/607021497.db2.gz LQIPORLUWPTRRC-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000822419682 607021771 /nfs/dbraw/zinc/02/17/71/607021771.db2.gz SCSFQULXLDECON-JTQLQIEISA-N -1 3 390.429 0.512 20 0 GCADHM Cc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000822419682 607021772 /nfs/dbraw/zinc/02/17/72/607021772.db2.gz SCSFQULXLDECON-JTQLQIEISA-N -1 3 390.429 0.512 20 0 GCADHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819865772 607021869 /nfs/dbraw/zinc/02/18/69/607021869.db2.gz HLPVNCGEGRCVJL-SNVBAGLBSA-N -1 3 397.432 0.604 20 0 GCADHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819865772 607021872 /nfs/dbraw/zinc/02/18/72/607021872.db2.gz HLPVNCGEGRCVJL-SNVBAGLBSA-N -1 3 397.432 0.604 20 0 GCADHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819865771 607022097 /nfs/dbraw/zinc/02/20/97/607022097.db2.gz HLPVNCGEGRCVJL-JTQLQIEISA-N -1 3 397.432 0.604 20 0 GCADHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819865771 607022098 /nfs/dbraw/zinc/02/20/98/607022098.db2.gz HLPVNCGEGRCVJL-JTQLQIEISA-N -1 3 397.432 0.604 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@]1(C)CCOC1 ZINC000820451328 607028202 /nfs/dbraw/zinc/02/82/02/607028202.db2.gz UXPYMNVZZZLTCZ-BZNIZROVSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@]1(C)CCOC1 ZINC000820451328 607028203 /nfs/dbraw/zinc/02/82/03/607028203.db2.gz UXPYMNVZZZLTCZ-BZNIZROVSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@]1(C)CCOC1 ZINC000820451330 607028630 /nfs/dbraw/zinc/02/86/30/607028630.db2.gz UXPYMNVZZZLTCZ-MEDUHNTESA-N -1 3 394.457 0.076 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@]1(C)CCOC1 ZINC000820451330 607028632 /nfs/dbraw/zinc/02/86/32/607028632.db2.gz UXPYMNVZZZLTCZ-MEDUHNTESA-N -1 3 394.457 0.076 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000822895556 607032675 /nfs/dbraw/zinc/03/26/75/607032675.db2.gz STLYCIKQZAKBFA-ZBEGNZNMSA-N -1 3 378.458 0.646 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC[C@@]3(O)CCCC[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC000822895556 607032676 /nfs/dbraw/zinc/03/26/76/607032676.db2.gz STLYCIKQZAKBFA-ZBEGNZNMSA-N -1 3 378.458 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCC1CC1 ZINC000820450655 607037897 /nfs/dbraw/zinc/03/78/97/607037897.db2.gz NYWVSXGESAEGGU-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCC1CC1 ZINC000820450655 607037899 /nfs/dbraw/zinc/03/78/99/607037899.db2.gz NYWVSXGESAEGGU-NSHDSACASA-N -1 3 378.458 0.840 20 0 GCADHM CSC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821956730 607038187 /nfs/dbraw/zinc/03/81/87/607038187.db2.gz WOSAASZFXDXOQY-VHSXEESVSA-N -1 3 384.487 0.401 20 0 GCADHM CSC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821956730 607038190 /nfs/dbraw/zinc/03/81/90/607038190.db2.gz WOSAASZFXDXOQY-VHSXEESVSA-N -1 3 384.487 0.401 20 0 GCADHM CSC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821956731 607038700 /nfs/dbraw/zinc/03/87/00/607038700.db2.gz WOSAASZFXDXOQY-ZJUUUORDSA-N -1 3 384.487 0.401 20 0 GCADHM CSC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821956731 607038702 /nfs/dbraw/zinc/03/87/02/607038702.db2.gz WOSAASZFXDXOQY-ZJUUUORDSA-N -1 3 384.487 0.401 20 0 GCADHM CSCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821962030 607040166 /nfs/dbraw/zinc/04/01/66/607040166.db2.gz NUBXDYGYVKJJCO-WDEREUQCSA-N -1 3 398.514 0.791 20 0 GCADHM CSCC[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821962030 607040167 /nfs/dbraw/zinc/04/01/67/607040167.db2.gz NUBXDYGYVKJJCO-WDEREUQCSA-N -1 3 398.514 0.791 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000820438776 607041371 /nfs/dbraw/zinc/04/13/71/607041371.db2.gz WNRXUNZNIRHTCQ-VHRBIJSZSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H]2CCC[C@H]21 ZINC000820438776 607041373 /nfs/dbraw/zinc/04/13/73/607041373.db2.gz WNRXUNZNIRHTCQ-VHRBIJSZSA-N -1 3 376.442 0.544 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCSC[C@H]1C ZINC000820445377 607042143 /nfs/dbraw/zinc/04/21/43/607042143.db2.gz PCPNHOBCRAHAAL-GHMZBOCLSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCSC[C@H]1C ZINC000820445377 607042144 /nfs/dbraw/zinc/04/21/44/607042144.db2.gz PCPNHOBCRAHAAL-GHMZBOCLSA-N -1 3 396.498 0.497 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821696831 607044676 /nfs/dbraw/zinc/04/46/76/607044676.db2.gz QXPZZHNQBWXICY-ZDUSSCGKSA-N -1 3 393.473 0.807 20 0 GCADHM CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821696831 607044677 /nfs/dbraw/zinc/04/46/77/607044677.db2.gz QXPZZHNQBWXICY-ZDUSSCGKSA-N -1 3 393.473 0.807 20 0 GCADHM CN(C)C(=O)Cn1cnc(NC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821578204 607044805 /nfs/dbraw/zinc/04/48/05/607044805.db2.gz SNIFTWDOMVATOF-UHFFFAOYSA-N -1 3 399.415 0.343 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000820445938 607046483 /nfs/dbraw/zinc/04/64/83/607046483.db2.gz RQQOFJMXRHPKAO-HONMWMINSA-N -1 3 390.469 0.648 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000820445938 607046485 /nfs/dbraw/zinc/04/64/85/607046485.db2.gz RQQOFJMXRHPKAO-HONMWMINSA-N -1 3 390.469 0.648 20 0 GCADHM C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C[C@@H]1n1ccnc1 ZINC000820727898 607047568 /nfs/dbraw/zinc/04/75/68/607047568.db2.gz QLXZNJDMZYEWCL-ABAIWWIYSA-N -1 3 388.457 0.798 20 0 GCADHM C[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C[C@@H]1n1ccnc1 ZINC000820727898 607047570 /nfs/dbraw/zinc/04/75/70/607047570.db2.gz QLXZNJDMZYEWCL-ABAIWWIYSA-N -1 3 388.457 0.798 20 0 GCADHM CNC(=O)C1(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)CC1 ZINC000821631223 607047931 /nfs/dbraw/zinc/04/79/31/607047931.db2.gz BQCSLVDFDYAJTN-UHFFFAOYSA-N -1 3 385.428 0.293 20 0 GCADHM CNC(=O)C1(C(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)CC1 ZINC000821631223 607047932 /nfs/dbraw/zinc/04/79/32/607047932.db2.gz BQCSLVDFDYAJTN-UHFFFAOYSA-N -1 3 385.428 0.293 20 0 GCADHM CCC(O)(CC)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820924904 607048142 /nfs/dbraw/zinc/04/81/42/607048142.db2.gz BQHKBKXPMGPHOH-NSHDSACASA-N -1 3 396.473 0.201 20 0 GCADHM CCC(O)(CC)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820924904 607048144 /nfs/dbraw/zinc/04/81/44/607048144.db2.gz BQHKBKXPMGPHOH-NSHDSACASA-N -1 3 396.473 0.201 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccc[nH]1 ZINC000820444719 607049667 /nfs/dbraw/zinc/04/96/67/607049667.db2.gz LLDKQVBIDBALEM-SNVBAGLBSA-N -1 3 375.414 0.178 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccc[nH]1 ZINC000820444719 607049668 /nfs/dbraw/zinc/04/96/68/607049668.db2.gz LLDKQVBIDBALEM-SNVBAGLBSA-N -1 3 375.414 0.178 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000820542252 607051210 /nfs/dbraw/zinc/05/12/10/607051210.db2.gz MRRRHZNJEVTVHT-NSHDSACASA-N -1 3 379.442 0.575 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCS(=O)(=O)CC1CC1 ZINC000820542252 607051213 /nfs/dbraw/zinc/05/12/13/607051213.db2.gz MRRRHZNJEVTVHT-NSHDSACASA-N -1 3 379.442 0.575 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000820438572 607051334 /nfs/dbraw/zinc/05/13/34/607051334.db2.gz SGAPDUKMNGHMFW-GRYCIOLGSA-N -1 3 378.458 0.648 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000820438572 607051336 /nfs/dbraw/zinc/05/13/36/607051336.db2.gz SGAPDUKMNGHMFW-GRYCIOLGSA-N -1 3 378.458 0.648 20 0 GCADHM CC[C@@H](O)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820931653 607051340 /nfs/dbraw/zinc/05/13/40/607051340.db2.gz IDPBRKOHQADIHP-DGCLKSJQSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@@H](O)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820931653 607051342 /nfs/dbraw/zinc/05/13/42/607051342.db2.gz IDPBRKOHQADIHP-DGCLKSJQSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@H](O)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820932583 607051390 /nfs/dbraw/zinc/05/13/90/607051390.db2.gz OYTGCXWAHLABJF-YPMHNXCESA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@H](O)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820932583 607051391 /nfs/dbraw/zinc/05/13/91/607051391.db2.gz OYTGCXWAHLABJF-YPMHNXCESA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821009618 607051478 /nfs/dbraw/zinc/05/14/78/607051478.db2.gz WZIMFCMCKGVXMJ-ZBEGNZNMSA-N -1 3 396.473 0.201 20 0 GCADHM CCC[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821009618 607051479 /nfs/dbraw/zinc/05/14/79/607051479.db2.gz WZIMFCMCKGVXMJ-ZBEGNZNMSA-N -1 3 396.473 0.201 20 0 GCADHM Cc1cnc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822389390 607051550 /nfs/dbraw/zinc/05/15/50/607051550.db2.gz UXFPWYGSTMHXDY-JTQLQIEISA-N -1 3 391.413 0.146 20 0 GCADHM Cc1cnc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822389390 607051552 /nfs/dbraw/zinc/05/15/52/607051552.db2.gz UXFPWYGSTMHXDY-JTQLQIEISA-N -1 3 391.413 0.146 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccn(C)c1 ZINC000820450159 607052562 /nfs/dbraw/zinc/05/25/62/607052562.db2.gz HNPAUPFRCKTWND-LLVKDONJSA-N -1 3 389.441 0.188 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccn(C)c1 ZINC000820450159 607052564 /nfs/dbraw/zinc/05/25/64/607052564.db2.gz HNPAUPFRCKTWND-LLVKDONJSA-N -1 3 389.441 0.188 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ccc[nH]1 ZINC000820447569 607052720 /nfs/dbraw/zinc/05/27/20/607052720.db2.gz ZTIDZZWGSUASEY-LLVKDONJSA-N -1 3 389.441 0.520 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ccc[nH]1 ZINC000820447569 607052721 /nfs/dbraw/zinc/05/27/21/607052721.db2.gz ZTIDZZWGSUASEY-LLVKDONJSA-N -1 3 389.441 0.520 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccn(C)c1 ZINC000820450160 607052830 /nfs/dbraw/zinc/05/28/30/607052830.db2.gz HNPAUPFRCKTWND-NSHDSACASA-N -1 3 389.441 0.188 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccn(C)c1 ZINC000820450160 607052832 /nfs/dbraw/zinc/05/28/32/607052832.db2.gz HNPAUPFRCKTWND-NSHDSACASA-N -1 3 389.441 0.188 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccn(C)c1 ZINC000820445822 607052976 /nfs/dbraw/zinc/05/29/76/607052976.db2.gz RERRRWIAQUUNHZ-LLVKDONJSA-N -1 3 389.441 0.188 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccn(C)c1 ZINC000820445822 607052978 /nfs/dbraw/zinc/05/29/78/607052978.db2.gz RERRRWIAQUUNHZ-LLVKDONJSA-N -1 3 389.441 0.188 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCSC1 ZINC000820450631 607054349 /nfs/dbraw/zinc/05/43/49/607054349.db2.gz NSLRYSGUTITVIR-PWSUYJOCSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCSC1 ZINC000820450631 607054351 /nfs/dbraw/zinc/05/43/51/607054351.db2.gz NSLRYSGUTITVIR-PWSUYJOCSA-N -1 3 396.498 0.545 20 0 GCADHM CN(C)C(=O)COC1CN(C(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821577968 607054971 /nfs/dbraw/zinc/05/49/71/607054971.db2.gz GVLYMFLUIRIIKO-UHFFFAOYSA-N -1 3 388.428 0.340 20 0 GCADHM CN(C)C(=O)COC1CN(C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821577968 607054972 /nfs/dbraw/zinc/05/49/72/607054972.db2.gz GVLYMFLUIRIIKO-UHFFFAOYSA-N -1 3 388.428 0.340 20 0 GCADHM CC[C@@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820902800 607060859 /nfs/dbraw/zinc/06/08/59/607060859.db2.gz NVVXRLFHVAADEJ-NEPJUHHUSA-N -1 3 396.473 0.058 20 0 GCADHM CC[C@@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820902800 607060861 /nfs/dbraw/zinc/06/08/61/607060861.db2.gz NVVXRLFHVAADEJ-NEPJUHHUSA-N -1 3 396.473 0.058 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@]1(C)CCCO1 ZINC000820450558 607061058 /nfs/dbraw/zinc/06/10/58/607061058.db2.gz MMGMRYFRJHMCET-ZBEGNZNMSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@]1(C)CCCO1 ZINC000820450558 607061059 /nfs/dbraw/zinc/06/10/59/607061059.db2.gz MMGMRYFRJHMCET-ZBEGNZNMSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCS1 ZINC000820451906 607061094 /nfs/dbraw/zinc/06/10/94/607061094.db2.gz YIRIOBYRNZFNNV-JQWIXIFHSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCS1 ZINC000820451906 607061095 /nfs/dbraw/zinc/06/10/95/607061095.db2.gz YIRIOBYRNZFNNV-JQWIXIFHSA-N -1 3 396.498 0.545 20 0 GCADHM O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823161562 607061696 /nfs/dbraw/zinc/06/16/96/607061696.db2.gz OFDSBCKZXAIXSU-CYBMUJFWSA-N -1 3 394.443 0.374 20 0 GCADHM O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823161562 607061697 /nfs/dbraw/zinc/06/16/97/607061697.db2.gz OFDSBCKZXAIXSU-CYBMUJFWSA-N -1 3 394.443 0.374 20 0 GCADHM COC(C)(C)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821672487 607062311 /nfs/dbraw/zinc/06/23/11/607062311.db2.gz MJLYNPYRUBGBJG-NSHDSACASA-N -1 3 396.473 0.417 20 0 GCADHM COC(C)(C)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821672487 607062312 /nfs/dbraw/zinc/06/23/12/607062312.db2.gz MJLYNPYRUBGBJG-NSHDSACASA-N -1 3 396.473 0.417 20 0 GCADHM CC(=O)N1CCCN([C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C)CC1 ZINC000819796489 607062683 /nfs/dbraw/zinc/06/26/83/607062683.db2.gz KAROJMDBSLSEFX-GUYCJALGSA-N -1 3 398.471 0.276 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820056533 607063258 /nfs/dbraw/zinc/06/32/58/607063258.db2.gz QHZARXKBZDFERG-YPMHNXCESA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)C[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820056533 607063260 /nfs/dbraw/zinc/06/32/60/607063260.db2.gz QHZARXKBZDFERG-YPMHNXCESA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000820995532 607063599 /nfs/dbraw/zinc/06/35/99/607063599.db2.gz TWPRVFPWSFHYTM-KOLCDFICSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000820995532 607063601 /nfs/dbraw/zinc/06/36/01/607063601.db2.gz TWPRVFPWSFHYTM-KOLCDFICSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820995885 607063655 /nfs/dbraw/zinc/06/36/55/607063655.db2.gz ZUPKOSMMHOKLIF-DZGCQCFKSA-N -1 3 392.485 0.586 20 0 GCADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820995885 607063656 /nfs/dbraw/zinc/06/36/56/607063656.db2.gz ZUPKOSMMHOKLIF-DZGCQCFKSA-N -1 3 392.485 0.586 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[S@](C)=O ZINC000820243110 607064728 /nfs/dbraw/zinc/06/47/28/607064728.db2.gz VQRSTCGIACBXKT-MUDIAHQHSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[S@](C)=O ZINC000820243110 607064730 /nfs/dbraw/zinc/06/47/30/607064730.db2.gz VQRSTCGIACBXKT-MUDIAHQHSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)[S@@](C)=O ZINC000820243200 607064887 /nfs/dbraw/zinc/06/48/87/607064887.db2.gz XZEMMKKPINRLPO-KHXSAUHESA-N -1 3 392.489 0.250 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)[S@@](C)=O ZINC000820243200 607064889 /nfs/dbraw/zinc/06/48/89/607064889.db2.gz XZEMMKKPINRLPO-KHXSAUHESA-N -1 3 392.489 0.250 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCS(=O)(=O)CC1CC1 ZINC000821762812 607066897 /nfs/dbraw/zinc/06/68/97/607066897.db2.gz PXUCDIKFTKCDFL-UHFFFAOYSA-N -1 3 380.430 0.822 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCS(=O)(=O)CC1CC1 ZINC000821762812 607066899 /nfs/dbraw/zinc/06/68/99/607066899.db2.gz PXUCDIKFTKCDFL-UHFFFAOYSA-N -1 3 380.430 0.822 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000821933297 607075276 /nfs/dbraw/zinc/07/52/76/607075276.db2.gz ZRBTTWLLILBBPJ-UHFFFAOYSA-N -1 3 383.405 0.721 20 0 GCADHM CS(=O)(=O)N1CCC(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000821933297 607075278 /nfs/dbraw/zinc/07/52/78/607075278.db2.gz ZRBTTWLLILBBPJ-UHFFFAOYSA-N -1 3 383.405 0.721 20 0 GCADHM CN1CC(=O)N(CCCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1=O ZINC000821620834 607075596 /nfs/dbraw/zinc/07/55/96/607075596.db2.gz XNERNAMBYKZADR-UHFFFAOYSA-N -1 3 376.348 0.723 20 0 GCADHM CN1CC(=O)N(CCCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1=O ZINC000821620834 607075597 /nfs/dbraw/zinc/07/55/97/607075597.db2.gz XNERNAMBYKZADR-UHFFFAOYSA-N -1 3 376.348 0.723 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cccnc1 ZINC000820444533 607079246 /nfs/dbraw/zinc/07/92/46/607079246.db2.gz KCZXRUZVTIWPEC-LLVKDONJSA-N -1 3 388.409 0.672 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccnc1 ZINC000820444533 607079248 /nfs/dbraw/zinc/07/92/48/607079248.db2.gz KCZXRUZVTIWPEC-LLVKDONJSA-N -1 3 388.409 0.672 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cccnc1 ZINC000820444538 607079317 /nfs/dbraw/zinc/07/93/17/607079317.db2.gz KCZXRUZVTIWPEC-NSHDSACASA-N -1 3 388.409 0.672 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cccnc1 ZINC000820444538 607079319 /nfs/dbraw/zinc/07/93/19/607079319.db2.gz KCZXRUZVTIWPEC-NSHDSACASA-N -1 3 388.409 0.672 20 0 GCADHM CC(C)OCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820146011 607079433 /nfs/dbraw/zinc/07/94/33/607079433.db2.gz IKSRPTNSVLNODG-LLVKDONJSA-N -1 3 383.430 0.502 20 0 GCADHM CC(C)OCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820146011 607079434 /nfs/dbraw/zinc/07/94/34/607079434.db2.gz IKSRPTNSVLNODG-LLVKDONJSA-N -1 3 383.430 0.502 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCCOC1 ZINC000820443912 607080579 /nfs/dbraw/zinc/08/05/79/607080579.db2.gz AUIYSWTYEPTDNH-VXGBXAGGSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCCOC1 ZINC000820443912 607080580 /nfs/dbraw/zinc/08/05/80/607080580.db2.gz AUIYSWTYEPTDNH-VXGBXAGGSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCOC1 ZINC000820452099 607081087 /nfs/dbraw/zinc/08/10/87/607081087.db2.gz ZPPPAMYWWPINFI-GHMZBOCLSA-N -1 3 381.414 0.113 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCOC1 ZINC000820452099 607081089 /nfs/dbraw/zinc/08/10/89/607081089.db2.gz ZPPPAMYWWPINFI-GHMZBOCLSA-N -1 3 381.414 0.113 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000822895209 607082447 /nfs/dbraw/zinc/08/24/47/607082447.db2.gz OAXCUDGVQBQNED-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cc1 ZINC000822895209 607082448 /nfs/dbraw/zinc/08/24/48/607082448.db2.gz OAXCUDGVQBQNED-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCSC1 ZINC000820451388 607082778 /nfs/dbraw/zinc/08/27/78/607082778.db2.gz VBGHVQPFUQTSJW-GXSJLCMTSA-N -1 3 383.455 0.582 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCSC1 ZINC000820451388 607082780 /nfs/dbraw/zinc/08/27/80/607082780.db2.gz VBGHVQPFUQTSJW-GXSJLCMTSA-N -1 3 383.455 0.582 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)c(=O)n(C)c1 ZINC000822206993 607084914 /nfs/dbraw/zinc/08/49/14/607084914.db2.gz HKQWSPLRAHLCLD-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)c(=O)n(C)c1 ZINC000822206993 607084916 /nfs/dbraw/zinc/08/49/16/607084916.db2.gz HKQWSPLRAHLCLD-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000820467508 607085743 /nfs/dbraw/zinc/08/57/43/607085743.db2.gz ISAODYPNLPPECT-TVQRCGJNSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000820467508 607085745 /nfs/dbraw/zinc/08/57/45/607085745.db2.gz ISAODYPNLPPECT-TVQRCGJNSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1CCOCC1 ZINC000820450075 607089591 /nfs/dbraw/zinc/08/95/91/607089591.db2.gz GQSAIZTVBJJNMF-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1CCOCC1 ZINC000820450075 607089592 /nfs/dbraw/zinc/08/95/92/607089592.db2.gz GQSAIZTVBJJNMF-LLVKDONJSA-N -1 3 395.441 0.503 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000823346094 607090500 /nfs/dbraw/zinc/09/05/00/607090500.db2.gz IFNXHSJXEOBQJE-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(Nc1ccc(F)nc1)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000823346094 607090503 /nfs/dbraw/zinc/09/05/03/607090503.db2.gz IFNXHSJXEOBQJE-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM COC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821684278 607091301 /nfs/dbraw/zinc/09/13/01/607091301.db2.gz WSGIFBSEBKUKLZ-FZMZJTMJSA-N -1 3 397.457 0.748 20 0 GCADHM COC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821684278 607091303 /nfs/dbraw/zinc/09/13/03/607091303.db2.gz WSGIFBSEBKUKLZ-FZMZJTMJSA-N -1 3 397.457 0.748 20 0 GCADHM CCOCCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821378885 607091531 /nfs/dbraw/zinc/09/15/31/607091531.db2.gz VXKNBQXEPCCFDR-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM CCOCCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821378885 607091532 /nfs/dbraw/zinc/09/15/32/607091532.db2.gz VXKNBQXEPCCFDR-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)C1CC1 ZINC000820445403 607092027 /nfs/dbraw/zinc/09/20/27/607092027.db2.gz PQSLPDYWPACTFL-VIFPVBQESA-N -1 3 379.398 0.056 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)C1CC1 ZINC000820445403 607092029 /nfs/dbraw/zinc/09/20/29/607092029.db2.gz PQSLPDYWPACTFL-VIFPVBQESA-N -1 3 379.398 0.056 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)C1CC1 ZINC000820449712 607092090 /nfs/dbraw/zinc/09/20/90/607092090.db2.gz BALTYBAVZIOGOO-VIFPVBQESA-N -1 3 379.398 0.056 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)C1CC1 ZINC000820449712 607092092 /nfs/dbraw/zinc/09/20/92/607092092.db2.gz BALTYBAVZIOGOO-VIFPVBQESA-N -1 3 379.398 0.056 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCSC1 ZINC000820449871 607092108 /nfs/dbraw/zinc/09/21/08/607092108.db2.gz DFLQTOSFQLHORK-QWRGUYRKSA-N -1 3 397.482 0.830 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCSC1 ZINC000820449871 607092110 /nfs/dbraw/zinc/09/21/10/607092110.db2.gz DFLQTOSFQLHORK-QWRGUYRKSA-N -1 3 397.482 0.830 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820804606 607092977 /nfs/dbraw/zinc/09/29/77/607092977.db2.gz VSHATGXPPGDHEP-SCZZXKLOSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820804606 607092978 /nfs/dbraw/zinc/09/29/78/607092978.db2.gz VSHATGXPPGDHEP-SCZZXKLOSA-N -1 3 380.792 0.067 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000821727252 607093530 /nfs/dbraw/zinc/09/35/30/607093530.db2.gz GAZSSQQTXUAYSS-UHFFFAOYSA-N -1 3 380.368 0.189 20 0 GCADHM COc1cc2c(nn1)CCN(C(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000821727252 607093532 /nfs/dbraw/zinc/09/35/32/607093532.db2.gz GAZSSQQTXUAYSS-UHFFFAOYSA-N -1 3 380.368 0.189 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821631295 607093715 /nfs/dbraw/zinc/09/37/15/607093715.db2.gz FBYNWZJLLDMNAW-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821631295 607093716 /nfs/dbraw/zinc/09/37/16/607093716.db2.gz FBYNWZJLLDMNAW-LLVKDONJSA-N -1 3 377.792 0.196 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000823337768 607094097 /nfs/dbraw/zinc/09/40/97/607094097.db2.gz RQEHZUIJRXBWHF-ZDUSSCGKSA-N -1 3 387.375 0.214 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000823337768 607094099 /nfs/dbraw/zinc/09/40/99/607094099.db2.gz RQEHZUIJRXBWHF-ZDUSSCGKSA-N -1 3 387.375 0.214 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736590971 607094258 /nfs/dbraw/zinc/09/42/58/607094258.db2.gz NEKHARIFOPMMFH-SNVBAGLBSA-N -1 3 390.375 0.746 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736590971 607094259 /nfs/dbraw/zinc/09/42/59/607094259.db2.gz NEKHARIFOPMMFH-SNVBAGLBSA-N -1 3 390.375 0.746 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1-c1nnn[n-]1 ZINC000822312984 607094448 /nfs/dbraw/zinc/09/44/48/607094448.db2.gz KLRRAYGHQVTRDU-NSHDSACASA-N -1 3 395.427 0.919 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)c2nnc3n2CCCC3)c1-c1nn[n-]n1 ZINC000822312984 607094449 /nfs/dbraw/zinc/09/44/49/607094449.db2.gz KLRRAYGHQVTRDU-NSHDSACASA-N -1 3 395.427 0.919 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[C@H](C)[S@@](C)=O ZINC000821400386 607096611 /nfs/dbraw/zinc/09/66/11/607096611.db2.gz IWTWKUCSGBZTMJ-FLESLCNUSA-N -1 3 394.457 0.477 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[C@H](C)[S@@](C)=O ZINC000821400386 607096613 /nfs/dbraw/zinc/09/66/13/607096613.db2.gz IWTWKUCSGBZTMJ-FLESLCNUSA-N -1 3 394.457 0.477 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(=O)n(CCOC)n1 ZINC000821304625 607098198 /nfs/dbraw/zinc/09/81/98/607098198.db2.gz OGWYEAMVROEYKV-UHFFFAOYSA-N -1 3 384.400 0.754 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2)NC(=O)NC1=O ZINC000820606939 607101355 /nfs/dbraw/zinc/10/13/55/607101355.db2.gz GOBNYFVLHSCVAL-FZKQIMNGSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2)NC(=O)NC1=O ZINC000820606939 607101356 /nfs/dbraw/zinc/10/13/56/607101356.db2.gz GOBNYFVLHSCVAL-FZKQIMNGSA-N -1 3 398.427 0.386 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821640890 607101418 /nfs/dbraw/zinc/10/14/18/607101418.db2.gz REPJAUNYVXWMJY-CYBMUJFWSA-N -1 3 377.401 0.671 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821640890 607101419 /nfs/dbraw/zinc/10/14/19/607101419.db2.gz REPJAUNYVXWMJY-CYBMUJFWSA-N -1 3 377.401 0.671 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821640734 607101560 /nfs/dbraw/zinc/10/15/60/607101560.db2.gz NUAMFDVDYXQBLP-AWEZNQCLSA-N -1 3 377.401 0.671 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821640734 607101562 /nfs/dbraw/zinc/10/15/62/607101562.db2.gz NUAMFDVDYXQBLP-AWEZNQCLSA-N -1 3 377.401 0.671 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000820032122 607102430 /nfs/dbraw/zinc/10/24/30/607102430.db2.gz LKHLAFNYKRVUCP-TZMCWYRMSA-N -1 3 399.411 0.033 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000820032122 607102432 /nfs/dbraw/zinc/10/24/32/607102432.db2.gz LKHLAFNYKRVUCP-TZMCWYRMSA-N -1 3 399.411 0.033 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821640144 607109181 /nfs/dbraw/zinc/10/91/81/607109181.db2.gz BNRVYULHBLTQJW-AWEZNQCLSA-N -1 3 376.417 0.704 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821640144 607109182 /nfs/dbraw/zinc/10/91/82/607109182.db2.gz BNRVYULHBLTQJW-AWEZNQCLSA-N -1 3 376.417 0.704 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000819789554 607111644 /nfs/dbraw/zinc/11/16/44/607111644.db2.gz TZHRAJCWQPAWRD-BEFAXECRSA-N -1 3 398.423 0.774 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000819789554 607111645 /nfs/dbraw/zinc/11/16/45/607111645.db2.gz TZHRAJCWQPAWRD-BEFAXECRSA-N -1 3 398.423 0.774 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)O[C@@H]1CCCNC1=O ZINC000821701219 607112236 /nfs/dbraw/zinc/11/22/36/607112236.db2.gz GTYOOXCJNZPDSE-CYBMUJFWSA-N -1 3 375.385 0.856 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)O[C@@H]1CCCNC1=O ZINC000821701219 607112237 /nfs/dbraw/zinc/11/22/37/607112237.db2.gz GTYOOXCJNZPDSE-CYBMUJFWSA-N -1 3 375.385 0.856 20 0 GCADHM Cc1ncc(C(=O)O[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(N)n1 ZINC000822467274 607113977 /nfs/dbraw/zinc/11/39/77/607113977.db2.gz KPGPGTQWNYHOTG-SNVBAGLBSA-N -1 3 386.397 0.571 20 0 GCADHM Cc1ncc(C(=O)O[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(N)n1 ZINC000822467274 607113978 /nfs/dbraw/zinc/11/39/78/607113978.db2.gz KPGPGTQWNYHOTG-SNVBAGLBSA-N -1 3 386.397 0.571 20 0 GCADHM CC(C)CC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820050630 607115840 /nfs/dbraw/zinc/11/58/40/607115840.db2.gz DLNUREYSEUHBNH-LLVKDONJSA-N -1 3 395.441 0.692 20 0 GCADHM CC(C)CC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820050630 607115842 /nfs/dbraw/zinc/11/58/42/607115842.db2.gz DLNUREYSEUHBNH-LLVKDONJSA-N -1 3 395.441 0.692 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCOC(C)(C)C ZINC000820447563 607116095 /nfs/dbraw/zinc/11/60/95/607116095.db2.gz ZRUKNJIPTLFLLG-LLVKDONJSA-N -1 3 397.457 0.892 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCOC(C)(C)C ZINC000820447563 607116097 /nfs/dbraw/zinc/11/60/97/607116097.db2.gz ZRUKNJIPTLFLLG-LLVKDONJSA-N -1 3 397.457 0.892 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ccon1 ZINC000820445119 607116142 /nfs/dbraw/zinc/11/61/42/607116142.db2.gz NVWSFVZXGDVJGB-VIFPVBQESA-N -1 3 378.370 0.265 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ccon1 ZINC000820445119 607116144 /nfs/dbraw/zinc/11/61/44/607116144.db2.gz NVWSFVZXGDVJGB-VIFPVBQESA-N -1 3 378.370 0.265 20 0 GCADHM Cn1nc2c(c1C(=O)O[C@H](C(N)=O)c1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000822705154 607117008 /nfs/dbraw/zinc/11/70/08/607117008.db2.gz XHPYHTNHSLYZLM-HNNXBMFYSA-N -1 3 381.396 0.862 20 0 GCADHM Cn1nc2c(c1C(=O)O[C@H](C(N)=O)c1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000822705154 607117010 /nfs/dbraw/zinc/11/70/10/607117010.db2.gz XHPYHTNHSLYZLM-HNNXBMFYSA-N -1 3 381.396 0.862 20 0 GCADHM COC(=O)CNC(=O)[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821662841 607118469 /nfs/dbraw/zinc/11/84/69/607118469.db2.gz VZGHQVJVDBMTDL-SNVBAGLBSA-N -1 3 391.384 0.245 20 0 GCADHM COC(=O)CNC(=O)[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821662841 607118471 /nfs/dbraw/zinc/11/84/71/607118471.db2.gz VZGHQVJVDBMTDL-SNVBAGLBSA-N -1 3 391.384 0.245 20 0 GCADHM C[C@@H]1CN(C(=O)COC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000820732871 607118602 /nfs/dbraw/zinc/11/86/02/607118602.db2.gz AMHUPAHGJONGRJ-GFCCVEGCSA-N -1 3 389.412 0.815 20 0 GCADHM C[C@@H]1CN(C(=O)COC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000820732871 607118603 /nfs/dbraw/zinc/11/86/03/607118603.db2.gz AMHUPAHGJONGRJ-GFCCVEGCSA-N -1 3 389.412 0.815 20 0 GCADHM CC(C)OCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820142819 607119179 /nfs/dbraw/zinc/11/91/79/607119179.db2.gz XIJMMJPJMSNISH-LBPRGKRZSA-N -1 3 397.457 0.892 20 0 GCADHM CC(C)OCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820142819 607119180 /nfs/dbraw/zinc/11/91/80/607119180.db2.gz XIJMMJPJMSNISH-LBPRGKRZSA-N -1 3 397.457 0.892 20 0 GCADHM COC(=O)[C@@H](NCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000821642557 607120589 /nfs/dbraw/zinc/12/05/89/607120589.db2.gz KYHSZDUVHFUJPV-CYBMUJFWSA-N -1 3 381.458 0.818 20 0 GCADHM COC(=O)[C@@H](NCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000821642557 607120591 /nfs/dbraw/zinc/12/05/91/607120591.db2.gz KYHSZDUVHFUJPV-CYBMUJFWSA-N -1 3 381.458 0.818 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCOCC1CC1 ZINC000820450981 607120698 /nfs/dbraw/zinc/12/06/98/607120698.db2.gz QJACVZQBKJZROF-NSHDSACASA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCOCC1CC1 ZINC000820450981 607120700 /nfs/dbraw/zinc/12/07/00/607120700.db2.gz QJACVZQBKJZROF-NSHDSACASA-N -1 3 395.441 0.503 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[Si](C)(C)C ZINC000820449714 607120794 /nfs/dbraw/zinc/12/07/94/607120794.db2.gz BFBIRCQNCGZAJL-SNVBAGLBSA-N -1 3 383.506 0.954 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[Si](C)(C)C ZINC000820449714 607120796 /nfs/dbraw/zinc/12/07/96/607120796.db2.gz BFBIRCQNCGZAJL-SNVBAGLBSA-N -1 3 383.506 0.954 20 0 GCADHM OC[C@@H]1CN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)c2ccccc2O1 ZINC000823715591 607123461 /nfs/dbraw/zinc/12/34/61/607123461.db2.gz VMACQVVBZKMLPU-HOCLYGCPSA-N -1 3 383.408 0.866 20 0 GCADHM C[C@@H](C[C@@H]1CCOC1)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000820235906 607123901 /nfs/dbraw/zinc/12/39/01/607123901.db2.gz UZQLUIPWBLYACF-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@@H](C[C@@H]1CCOC1)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000820235906 607123902 /nfs/dbraw/zinc/12/39/02/607123902.db2.gz UZQLUIPWBLYACF-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)O1 ZINC000822860301 607132534 /nfs/dbraw/zinc/13/25/34/607132534.db2.gz QXLCPWTZWXMZCL-HUUCEWRRSA-N -1 3 388.428 0.565 20 0 GCADHM NC(=O)[C@H]1CC[C@H](CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)O1 ZINC000822860301 607132536 /nfs/dbraw/zinc/13/25/36/607132536.db2.gz QXLCPWTZWXMZCL-HUUCEWRRSA-N -1 3 388.428 0.565 20 0 GCADHM C[C@@H](NC(=O)N(CCO)CCN1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820342050 607135196 /nfs/dbraw/zinc/13/51/96/607135196.db2.gz SHCREKWFYITNTF-CQSZACIVSA-N -1 3 389.460 0.264 20 0 GCADHM C[C@@H](NC(=O)N(CCO)CCN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820342050 607135197 /nfs/dbraw/zinc/13/51/97/607135197.db2.gz SHCREKWFYITNTF-CQSZACIVSA-N -1 3 389.460 0.264 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822159633 607138460 /nfs/dbraw/zinc/13/84/60/607138460.db2.gz CDZQHMJDZCCFLR-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822159633 607138461 /nfs/dbraw/zinc/13/84/61/607138461.db2.gz CDZQHMJDZCCFLR-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821367796 607144341 /nfs/dbraw/zinc/14/43/41/607144341.db2.gz NDLROSUNXSQOJC-WCQYABFASA-N -1 3 377.401 0.671 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821367796 607144343 /nfs/dbraw/zinc/14/43/43/607144343.db2.gz NDLROSUNXSQOJC-WCQYABFASA-N -1 3 377.401 0.671 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000821367858 607144347 /nfs/dbraw/zinc/14/43/47/607144347.db2.gz NXEAPTDAFULIDM-LBPRGKRZSA-N -1 3 393.400 0.291 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000821367858 607144348 /nfs/dbraw/zinc/14/43/48/607144348.db2.gz NXEAPTDAFULIDM-LBPRGKRZSA-N -1 3 393.400 0.291 20 0 GCADHM Cc1cc(CS(=O)(=O)CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)nn1C ZINC000822200960 607144772 /nfs/dbraw/zinc/14/47/72/607144772.db2.gz KXFAMWMUKQSMKV-UHFFFAOYSA-N -1 3 375.414 0.462 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N1CCOC2(CCOCC2)C1 ZINC000823567915 607146402 /nfs/dbraw/zinc/14/64/02/607146402.db2.gz YJQBFEUIMBMDJS-UHFFFAOYSA-N -1 3 379.442 0.578 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCOC2(CCOCC2)C1 ZINC000823567915 607146404 /nfs/dbraw/zinc/14/64/04/607146404.db2.gz YJQBFEUIMBMDJS-UHFFFAOYSA-N -1 3 379.442 0.578 20 0 GCADHM CCc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n[nH]1 ZINC000821471126 607147119 /nfs/dbraw/zinc/14/71/19/607147119.db2.gz VQTHJRRAVXAGTN-SECBINFHSA-N -1 3 390.429 0.458 20 0 GCADHM CCc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000821471126 607147120 /nfs/dbraw/zinc/14/71/20/607147120.db2.gz VQTHJRRAVXAGTN-SECBINFHSA-N -1 3 390.429 0.458 20 0 GCADHM O=C1[C@@H](N2CCOC3(CCOCC3)C2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000823504371 607151188 /nfs/dbraw/zinc/15/11/88/607151188.db2.gz POGDQXXTYAUAMH-INIZCTEOSA-N -1 3 384.440 0.853 20 0 GCADHM O=C1[C@@H](N2CCOC3(CCOCC3)C2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000823504371 607151189 /nfs/dbraw/zinc/15/11/89/607151189.db2.gz POGDQXXTYAUAMH-INIZCTEOSA-N -1 3 384.440 0.853 20 0 GCADHM Cc1cc(C[C@H](C)NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)[nH]n1 ZINC000822200016 607154970 /nfs/dbraw/zinc/15/49/70/607154970.db2.gz QPJQZEBJUGUDAH-LBPRGKRZSA-N -1 3 396.459 0.756 20 0 GCADHM COCCN(CCC1OCCCO1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821690098 607158242 /nfs/dbraw/zinc/15/82/42/607158242.db2.gz YUJFLOLXLNOSMD-UHFFFAOYSA-N -1 3 397.457 0.657 20 0 GCADHM COCCN(CCC1OCCCO1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821690098 607158243 /nfs/dbraw/zinc/15/82/43/607158243.db2.gz YUJFLOLXLNOSMD-UHFFFAOYSA-N -1 3 397.457 0.657 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736591885 607158990 /nfs/dbraw/zinc/15/89/90/607158990.db2.gz XXHGGIRQZYQZGV-CQSZACIVSA-N -1 3 386.412 0.398 20 0 GCADHM CCOC(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736591885 607158992 /nfs/dbraw/zinc/15/89/92/607158992.db2.gz XXHGGIRQZYQZGV-CQSZACIVSA-N -1 3 386.412 0.398 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](O)C(C)(C)C ZINC000820450421 607159627 /nfs/dbraw/zinc/15/96/27/607159627.db2.gz KFKKZJSTTZBYLP-ZWNOBZJWSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](O)C(C)(C)C ZINC000820450421 607159629 /nfs/dbraw/zinc/15/96/29/607159629.db2.gz KFKKZJSTTZBYLP-ZWNOBZJWSA-N -1 3 396.473 0.057 20 0 GCADHM Cc1cccc([C@H](O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822288727 607162436 /nfs/dbraw/zinc/16/24/36/607162436.db2.gz HQNXBGMNFRYWDW-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1cccc([C@H](O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822288727 607162438 /nfs/dbraw/zinc/16/24/38/607162438.db2.gz HQNXBGMNFRYWDW-MRXNPFEDSA-N -1 3 380.408 0.755 20 0 GCADHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCN4C(=O)C(=O)NC[C@H]4C3)c2c1 ZINC000822195626 607174158 /nfs/dbraw/zinc/17/41/58/607174158.db2.gz YRFQCVQJYMVOSL-LBPRGKRZSA-N -1 3 392.423 0.179 20 0 GCADHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(N3CCN4C(=O)C(=O)NC[C@H]4C3)c2c1 ZINC000822195626 607174159 /nfs/dbraw/zinc/17/41/59/607174159.db2.gz YRFQCVQJYMVOSL-LBPRGKRZSA-N -1 3 392.423 0.179 20 0 GCADHM O=C1NC[C@H]2CN(c3c(-c4nnn[n-]4)cnc4ccc(Cl)cc43)CCN2C1=O ZINC000823542667 607174170 /nfs/dbraw/zinc/17/41/70/607174170.db2.gz XTNHHLNRFVQSBW-JTQLQIEISA-N -1 3 398.814 0.215 20 0 GCADHM O=C1NC[C@H]2CN(c3c(-c4nn[n-]n4)cnc4ccc(Cl)cc43)CCN2C1=O ZINC000823542667 607174171 /nfs/dbraw/zinc/17/41/71/607174171.db2.gz XTNHHLNRFVQSBW-JTQLQIEISA-N -1 3 398.814 0.215 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CCOC3(CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822899619 607175858 /nfs/dbraw/zinc/17/58/58/607175858.db2.gz MCXMTLOUOQNQDS-NSHDSACASA-N -1 3 394.457 0.654 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@H]2CCOC3(CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822899619 607175859 /nfs/dbraw/zinc/17/58/59/607175859.db2.gz MCXMTLOUOQNQDS-NSHDSACASA-N -1 3 394.457 0.654 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)c(-c2nnn[n-]2)c1 ZINC000822899879 607176745 /nfs/dbraw/zinc/17/67/45/607176745.db2.gz XASVBUHYYWIMLK-MEBBXXQBSA-N -1 3 396.498 0.981 20 0 GCADHM NS(=O)(=O)c1ccc(N[C@@H]2CCO[C@]3(CCSC3)C2)c(-c2nn[n-]n2)c1 ZINC000822899879 607176746 /nfs/dbraw/zinc/17/67/46/607176746.db2.gz XASVBUHYYWIMLK-MEBBXXQBSA-N -1 3 396.498 0.981 20 0 GCADHM CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000819796515 607179609 /nfs/dbraw/zinc/17/96/09/607179609.db2.gz KRGYDWBIRXJPTN-UHFFFAOYSA-N -1 3 377.792 0.149 20 0 GCADHM CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000819796515 607179610 /nfs/dbraw/zinc/17/96/10/607179610.db2.gz KRGYDWBIRXJPTN-UHFFFAOYSA-N -1 3 377.792 0.149 20 0 GCADHM NC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822890290 607180033 /nfs/dbraw/zinc/18/00/33/607180033.db2.gz RLJLKUMBCZUFSD-UHFFFAOYSA-N -1 3 399.798 0.874 20 0 GCADHM NC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822890290 607180034 /nfs/dbraw/zinc/18/00/34/607180034.db2.gz RLJLKUMBCZUFSD-UHFFFAOYSA-N -1 3 399.798 0.874 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000823246487 607180309 /nfs/dbraw/zinc/18/03/09/607180309.db2.gz RGRVTAOQXQEJTR-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000823246487 607180310 /nfs/dbraw/zinc/18/03/10/607180310.db2.gz RGRVTAOQXQEJTR-UHFFFAOYSA-N -1 3 389.379 0.702 20 0 GCADHM O=C(NC[C@H](O)COCC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823166306 607181107 /nfs/dbraw/zinc/18/11/07/607181107.db2.gz IRTKCQXVNTYDTJ-NSHDSACASA-N -1 3 394.819 0.362 20 0 GCADHM O=C(NC[C@H](O)COCC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823166306 607181108 /nfs/dbraw/zinc/18/11/08/607181108.db2.gz IRTKCQXVNTYDTJ-NSHDSACASA-N -1 3 394.819 0.362 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)NC1CCCC1 ZINC000823001019 607181171 /nfs/dbraw/zinc/18/11/71/607181171.db2.gz IAVIUIGYQPYQSZ-UHFFFAOYSA-N -1 3 391.819 0.634 20 0 GCADHM O=C(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)NC1CCCC1 ZINC000823001019 607181172 /nfs/dbraw/zinc/18/11/72/607181172.db2.gz IAVIUIGYQPYQSZ-UHFFFAOYSA-N -1 3 391.819 0.634 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820814153 607181623 /nfs/dbraw/zinc/18/16/23/607181623.db2.gz SALGFVJRRHAVJY-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820814153 607181624 /nfs/dbraw/zinc/18/16/24/607181624.db2.gz SALGFVJRRHAVJY-SNVBAGLBSA-N -1 3 393.835 0.296 20 0 GCADHM Cn1cc(CCCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000822679333 607181744 /nfs/dbraw/zinc/18/17/44/607181744.db2.gz BHZZDIJLONXBEF-UHFFFAOYSA-N -1 3 388.819 0.941 20 0 GCADHM Cn1cc(CCCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000822679333 607181745 /nfs/dbraw/zinc/18/17/45/607181745.db2.gz BHZZDIJLONXBEF-UHFFFAOYSA-N -1 3 388.819 0.941 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000823313515 607182026 /nfs/dbraw/zinc/18/20/26/607182026.db2.gz DFSRUYKEVGGETE-LLVKDONJSA-N -1 3 394.819 0.459 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000823313515 607182027 /nfs/dbraw/zinc/18/20/27/607182027.db2.gz DFSRUYKEVGGETE-LLVKDONJSA-N -1 3 394.819 0.459 20 0 GCADHM O=C(NCC1(O)CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823170721 607182686 /nfs/dbraw/zinc/18/26/86/607182686.db2.gz HDGVJRYMCPMOIJ-UHFFFAOYSA-N -1 3 380.792 0.116 20 0 GCADHM O=C(NCC1(O)CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823170721 607182687 /nfs/dbraw/zinc/18/26/87/607182687.db2.gz HDGVJRYMCPMOIJ-UHFFFAOYSA-N -1 3 380.792 0.116 20 0 GCADHM COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821685715 607182814 /nfs/dbraw/zinc/18/28/14/607182814.db2.gz NKMWXWMDQKPMMW-OAHLLOKOSA-N -1 3 382.808 0.362 20 0 GCADHM COCC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821685715 607182815 /nfs/dbraw/zinc/18/28/15/607182815.db2.gz NKMWXWMDQKPMMW-OAHLLOKOSA-N -1 3 382.808 0.362 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@@H]1CCc2nccn2C1 ZINC000823314992 607182916 /nfs/dbraw/zinc/18/29/16/607182916.db2.gz VZKYFVQPSBTBQQ-SNVBAGLBSA-N -1 3 386.803 0.786 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@@H]1CCc2nccn2C1 ZINC000823314992 607182917 /nfs/dbraw/zinc/18/29/17/607182917.db2.gz VZKYFVQPSBTBQQ-SNVBAGLBSA-N -1 3 386.803 0.786 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000823314140 607183490 /nfs/dbraw/zinc/18/34/90/607183490.db2.gz MPZLOUKNTHKYQZ-VIFPVBQESA-N -1 3 387.791 0.181 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000823314140 607183491 /nfs/dbraw/zinc/18/34/91/607183491.db2.gz MPZLOUKNTHKYQZ-VIFPVBQESA-N -1 3 387.791 0.181 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@H]1CCCn2ncnc21 ZINC000823313470 607183641 /nfs/dbraw/zinc/18/36/41/607183641.db2.gz BUIHGPPITGGQGF-NSHDSACASA-N -1 3 387.791 0.701 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@H]1CCCn2ncnc21 ZINC000823313470 607183642 /nfs/dbraw/zinc/18/36/42/607183642.db2.gz BUIHGPPITGGQGF-NSHDSACASA-N -1 3 387.791 0.701 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000823313871 607183674 /nfs/dbraw/zinc/18/36/74/607183674.db2.gz KRSMNMKBHKKFEN-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000823313871 607183675 /nfs/dbraw/zinc/18/36/75/607183675.db2.gz KRSMNMKBHKKFEN-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821951281 607183695 /nfs/dbraw/zinc/18/36/95/607183695.db2.gz VWCKNJHDBCHUIC-HQJQHLMTSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821951281 607183696 /nfs/dbraw/zinc/18/36/96/607183696.db2.gz VWCKNJHDBCHUIC-HQJQHLMTSA-N -1 3 384.849 0.687 20 0 GCADHM C[C@@H](O)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000736144967 607183995 /nfs/dbraw/zinc/18/39/95/607183995.db2.gz RTFVQUSKEBMNDK-LLVKDONJSA-N -1 3 397.395 0.880 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000823332838 607184916 /nfs/dbraw/zinc/18/49/16/607184916.db2.gz SBLJKIBKNMPXJT-UHFFFAOYSA-N -1 3 390.375 0.352 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000823332838 607184917 /nfs/dbraw/zinc/18/49/17/607184917.db2.gz SBLJKIBKNMPXJT-UHFFFAOYSA-N -1 3 390.375 0.352 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000823360359 607185011 /nfs/dbraw/zinc/18/50/11/607185011.db2.gz ZZBVDJJDTXNONW-GUYCJALGSA-N -1 3 388.453 0.976 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000823360359 607185012 /nfs/dbraw/zinc/18/50/12/607185012.db2.gz ZZBVDJJDTXNONW-GUYCJALGSA-N -1 3 388.453 0.976 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000823338045 607185177 /nfs/dbraw/zinc/18/51/77/607185177.db2.gz XDSLREUGIQGRBU-UHFFFAOYSA-N -1 3 390.375 0.352 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCOC2(CCOCC2)C1 ZINC000823338045 607185178 /nfs/dbraw/zinc/18/51/78/607185178.db2.gz XDSLREUGIQGRBU-UHFFFAOYSA-N -1 3 390.375 0.352 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000822904065 607185553 /nfs/dbraw/zinc/18/55/53/607185553.db2.gz SHJHXRWONDAWBI-UHFFFAOYSA-N -1 3 397.374 0.756 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000822904065 607185554 /nfs/dbraw/zinc/18/55/54/607185554.db2.gz SHJHXRWONDAWBI-UHFFFAOYSA-N -1 3 397.374 0.756 20 0 GCADHM C[C@@]1(c2cccc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)c2)NC(=O)NC1=O ZINC000820636081 607192502 /nfs/dbraw/zinc/19/25/02/607192502.db2.gz QAOOFCVSMNIZHM-IBGZPJMESA-N -1 3 391.391 0.851 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000821407788 607193975 /nfs/dbraw/zinc/19/39/75/607193975.db2.gz XHKMBYROFHRKOC-SNVBAGLBSA-N -1 3 381.418 0.160 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000821407788 607193976 /nfs/dbraw/zinc/19/39/76/607193976.db2.gz XHKMBYROFHRKOC-SNVBAGLBSA-N -1 3 381.418 0.160 20 0 GCADHM CS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000821931311 607198395 /nfs/dbraw/zinc/19/83/95/607198395.db2.gz BIZOXXMKURUBHZ-UHFFFAOYSA-N -1 3 385.837 0.629 20 0 GCADHM CS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821931311 607198396 /nfs/dbraw/zinc/19/83/96/607198396.db2.gz BIZOXXMKURUBHZ-UHFFFAOYSA-N -1 3 385.837 0.629 20 0 GCADHM Nc1nsc(N2CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000822912192 607204581 /nfs/dbraw/zinc/20/45/81/607204581.db2.gz QKHZIBMDKJSWCO-UHFFFAOYSA-N -1 3 386.445 0.332 20 0 GCADHM Nc1nsc(N2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000822912192 607204582 /nfs/dbraw/zinc/20/45/82/607204582.db2.gz QKHZIBMDKJSWCO-UHFFFAOYSA-N -1 3 386.445 0.332 20 0 GCADHM COc1ccc([C@@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)N2CCCC2)cc1 ZINC000821778236 607205053 /nfs/dbraw/zinc/20/50/53/607205053.db2.gz XCCUHSHQVXBBLK-OAHLLOKOSA-N -1 3 397.443 0.420 20 0 GCADHM CC[C@@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)N1CCc2ccccc2C1 ZINC000820908022 607207315 /nfs/dbraw/zinc/20/73/15/607207315.db2.gz IGGBWAKCGOZJEO-HNNXBMFYSA-N -1 3 381.444 0.411 20 0 GCADHM CCN(CC)[C@H](CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)c1ccsc1 ZINC000821181166 607207979 /nfs/dbraw/zinc/20/79/79/607207979.db2.gz KLVVRIIHLYHZKY-GFCCVEGCSA-N -1 3 375.462 0.719 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000823536069 607208614 /nfs/dbraw/zinc/20/86/14/607208614.db2.gz QHRRHFQGHSNSOF-LSDHHAIUSA-N -1 3 385.428 0.698 20 0 GCADHM COCCn1nc(C)c(NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1C ZINC000821695379 607213463 /nfs/dbraw/zinc/21/34/63/607213463.db2.gz WGQNONYYDDMTJN-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM COCCn1nc(C)c(NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1C ZINC000821695379 607213464 /nfs/dbraw/zinc/21/34/64/607213464.db2.gz WGQNONYYDDMTJN-UHFFFAOYSA-N -1 3 384.400 0.904 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822674563 607229228 /nfs/dbraw/zinc/22/92/28/607229228.db2.gz XAVBMAJXBJODRT-QGZVFWFLSA-N -1 3 395.383 0.006 20 0 GCADHM Cn1cc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822674563 607229229 /nfs/dbraw/zinc/22/92/29/607229229.db2.gz XAVBMAJXBJODRT-QGZVFWFLSA-N -1 3 395.383 0.006 20 0 GCADHM C[C@@H]1CN(CCCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C[C@H](C)O1 ZINC000820761822 607229762 /nfs/dbraw/zinc/22/97/62/607229762.db2.gz ZPRAEOFEKHDKIV-BETUJISGSA-N -1 3 395.489 0.429 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000820994470 607230505 /nfs/dbraw/zinc/23/05/05/607230505.db2.gz IPAUWSTXSOQVNX-CZUORRHYSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000820994470 607230506 /nfs/dbraw/zinc/23/05/06/607230506.db2.gz IPAUWSTXSOQVNX-CZUORRHYSA-N -1 3 392.485 0.598 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCO[C@H](CO)C1 ZINC000821701536 607230746 /nfs/dbraw/zinc/23/07/46/607230746.db2.gz RRDQLNYQDSMXNG-ZDUSSCGKSA-N -1 3 377.401 0.254 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCO[C@H](CO)C1 ZINC000821701536 607230747 /nfs/dbraw/zinc/23/07/47/607230747.db2.gz RRDQLNYQDSMXNG-ZDUSSCGKSA-N -1 3 377.401 0.254 20 0 GCADHM NC(=O)Cc1ccccc1OS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000822873789 607230922 /nfs/dbraw/zinc/23/09/22/607230922.db2.gz JIMLYSOGIGTOIS-UHFFFAOYSA-N -1 3 377.357 0.801 20 0 GCADHM NC(=O)Cc1ccccc1OS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000822873789 607230923 /nfs/dbraw/zinc/23/09/23/607230923.db2.gz JIMLYSOGIGTOIS-UHFFFAOYSA-N -1 3 377.357 0.801 20 0 GCADHM O=S(=O)(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823572265 607230931 /nfs/dbraw/zinc/23/09/31/607230931.db2.gz FQXOOEKSZWGBEB-ZDUSSCGKSA-N -1 3 379.442 0.873 20 0 GCADHM O=S(=O)(N[C@H]1CCOC2(CCOCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823572265 607230932 /nfs/dbraw/zinc/23/09/32/607230932.db2.gz FQXOOEKSZWGBEB-ZDUSSCGKSA-N -1 3 379.442 0.873 20 0 GCADHM O=S(=O)(N[C@@H]1CCOC2(CCOCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823572812 607230944 /nfs/dbraw/zinc/23/09/44/607230944.db2.gz NHFPHVBXRXAQJI-CYBMUJFWSA-N -1 3 379.442 0.873 20 0 GCADHM O=S(=O)(N[C@@H]1CCOC2(CCOCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823572812 607230945 /nfs/dbraw/zinc/23/09/45/607230945.db2.gz NHFPHVBXRXAQJI-CYBMUJFWSA-N -1 3 379.442 0.873 20 0 GCADHM O=S(=O)(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823572263 607231113 /nfs/dbraw/zinc/23/11/13/607231113.db2.gz FQXOOEKSZWGBEB-CYBMUJFWSA-N -1 3 379.442 0.873 20 0 GCADHM O=S(=O)(N[C@@H]1CCOC2(CCOCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823572263 607231114 /nfs/dbraw/zinc/23/11/14/607231114.db2.gz FQXOOEKSZWGBEB-CYBMUJFWSA-N -1 3 379.442 0.873 20 0 GCADHM O=C(c1ncc(-c2nnn[n-]2)cc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000823498167 607232009 /nfs/dbraw/zinc/23/20/09/607232009.db2.gz FXLKZCKFQMHJTM-LBPRGKRZSA-N -1 3 391.819 0.379 20 0 GCADHM O=C(c1ncc(-c2nn[n-]n2)cc1Cl)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000823498167 607232010 /nfs/dbraw/zinc/23/20/10/607232010.db2.gz FXLKZCKFQMHJTM-LBPRGKRZSA-N -1 3 391.819 0.379 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822895566 607235167 /nfs/dbraw/zinc/23/51/67/607235167.db2.gz TUTCJVHAYIWQOM-GFCCVEGCSA-N -1 3 396.498 0.628 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822895566 607235168 /nfs/dbraw/zinc/23/51/68/607235168.db2.gz TUTCJVHAYIWQOM-GFCCVEGCSA-N -1 3 396.498 0.628 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000821441377 607246820 /nfs/dbraw/zinc/24/68/20/607246820.db2.gz LAMDYTSDYVYVPN-NSHDSACASA-N -1 3 383.405 0.973 20 0 GCADHM CCS(=O)(=O)N1CCC[C@H](C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000821441377 607246821 /nfs/dbraw/zinc/24/68/21/607246821.db2.gz LAMDYTSDYVYVPN-NSHDSACASA-N -1 3 383.405 0.973 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)s1 ZINC000826330143 607773368 /nfs/dbraw/zinc/77/33/68/607773368.db2.gz HLFMFFYGMYYGHF-UHFFFAOYSA-N -1 3 399.440 0.314 20 0 GCADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)s1 ZINC000826330143 607773369 /nfs/dbraw/zinc/77/33/69/607773369.db2.gz HLFMFFYGMYYGHF-UHFFFAOYSA-N -1 3 399.440 0.314 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)Nc1cnn(CC(F)F)c1 ZINC000826185561 607773882 /nfs/dbraw/zinc/77/38/82/607773882.db2.gz MYAJJVPPPHGLEA-UHFFFAOYSA-N -1 3 392.326 0.914 20 0 GCADHM CCOC(=O)Cc1nnc(NC(=O)COc2ccccc2-c2nnn[n-]2)s1 ZINC000825517729 607775191 /nfs/dbraw/zinc/77/51/91/607775191.db2.gz JYUPPVPDWKEQMP-UHFFFAOYSA-N -1 3 389.397 0.841 20 0 GCADHM CCOC(=O)Cc1nnc(NC(=O)COc2ccccc2-c2nn[n-]n2)s1 ZINC000825517729 607775192 /nfs/dbraw/zinc/77/51/92/607775192.db2.gz JYUPPVPDWKEQMP-UHFFFAOYSA-N -1 3 389.397 0.841 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000825522795 607775810 /nfs/dbraw/zinc/77/58/10/607775810.db2.gz JZZPTUKWEFRKTE-SNVBAGLBSA-N -1 3 389.372 0.279 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000825522795 607775811 /nfs/dbraw/zinc/77/58/11/607775811.db2.gz JZZPTUKWEFRKTE-SNVBAGLBSA-N -1 3 389.372 0.279 20 0 GCADHM O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826434620 607776083 /nfs/dbraw/zinc/77/60/83/607776083.db2.gz RULYNPDNLTVENC-IBGZPJMESA-N -1 3 378.392 0.755 20 0 GCADHM O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826434620 607776084 /nfs/dbraw/zinc/77/60/84/607776084.db2.gz RULYNPDNLTVENC-IBGZPJMESA-N -1 3 378.392 0.755 20 0 GCADHM O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826434778 607776095 /nfs/dbraw/zinc/77/60/95/607776095.db2.gz XITFHWHHGJNVAN-IBGZPJMESA-N -1 3 396.382 0.895 20 0 GCADHM O=C(NC[C@@]1(O)CCc2ccccc21)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826434778 607776096 /nfs/dbraw/zinc/77/60/96/607776096.db2.gz XITFHWHHGJNVAN-IBGZPJMESA-N -1 3 396.382 0.895 20 0 GCADHM O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826434266 607776326 /nfs/dbraw/zinc/77/63/26/607776326.db2.gz IMCLAUNSGAGPEL-LJQANCHMSA-N -1 3 378.392 0.755 20 0 GCADHM O=C(NC[C@]1(O)CCc2ccccc21)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826434266 607776327 /nfs/dbraw/zinc/77/63/27/607776327.db2.gz IMCLAUNSGAGPEL-LJQANCHMSA-N -1 3 378.392 0.755 20 0 GCADHM CN(C)C(=O)c1ccnc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825851254 607780890 /nfs/dbraw/zinc/78/08/90/607780890.db2.gz VJZOZXCOUUUZRW-UHFFFAOYSA-N -1 3 394.395 0.332 20 0 GCADHM CN(C)C(=O)c1ccnc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825851254 607780891 /nfs/dbraw/zinc/78/08/91/607780891.db2.gz VJZOZXCOUUUZRW-UHFFFAOYSA-N -1 3 394.395 0.332 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826438277 607781726 /nfs/dbraw/zinc/78/17/26/607781726.db2.gz WCAFTTAUBHDKFX-ZDUSSCGKSA-N -1 3 397.447 0.387 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000826438277 607781727 /nfs/dbraw/zinc/78/17/27/607781727.db2.gz WCAFTTAUBHDKFX-ZDUSSCGKSA-N -1 3 397.447 0.387 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CCN(CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC000826472749 607792733 /nfs/dbraw/zinc/79/27/33/607792733.db2.gz WKAWOUBEJOSEKC-UHFFFAOYSA-N -1 3 395.423 0.804 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CCN(CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC000826472749 607792734 /nfs/dbraw/zinc/79/27/34/607792734.db2.gz WKAWOUBEJOSEKC-UHFFFAOYSA-N -1 3 395.423 0.804 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826223658 607793298 /nfs/dbraw/zinc/79/32/98/607793298.db2.gz VFPKBBWKFUMWKT-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826223658 607793299 /nfs/dbraw/zinc/79/32/99/607793299.db2.gz VFPKBBWKFUMWKT-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CCN(CCS(C)(=O)=O)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825424256 607793850 /nfs/dbraw/zinc/79/38/50/607793850.db2.gz CWHSJBMEMCZPRT-UHFFFAOYSA-N -1 3 382.446 0.451 20 0 GCADHM CCN(CCS(C)(=O)=O)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825424256 607793851 /nfs/dbraw/zinc/79/38/51/607793851.db2.gz CWHSJBMEMCZPRT-UHFFFAOYSA-N -1 3 382.446 0.451 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223120 607794687 /nfs/dbraw/zinc/79/46/87/607794687.db2.gz BWQUUHUJMKISOM-LLVKDONJSA-N -1 3 396.498 0.357 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223120 607794688 /nfs/dbraw/zinc/79/46/88/607794688.db2.gz BWQUUHUJMKISOM-LLVKDONJSA-N -1 3 396.498 0.357 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000826223177 607794766 /nfs/dbraw/zinc/79/47/66/607794766.db2.gz DECXHDHYMDIGGP-SYTKJHMZSA-N -1 3 376.442 0.278 20 0 GCADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000826223177 607794767 /nfs/dbraw/zinc/79/47/67/607794767.db2.gz DECXHDHYMDIGGP-SYTKJHMZSA-N -1 3 376.442 0.278 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826223069 607795921 /nfs/dbraw/zinc/79/59/21/607795921.db2.gz AAPWZJYSUXTINX-MMQHEFTJSA-N -1 3 376.442 0.420 20 0 GCADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826223069 607795922 /nfs/dbraw/zinc/79/59/22/607795922.db2.gz AAPWZJYSUXTINX-MMQHEFTJSA-N -1 3 376.442 0.420 20 0 GCADHM Cc1oc(NC(=O)CN(CCS(C)(=O)=O)C2CC2)c(-c2nnn[n-]2)c1C ZINC000826342167 607802518 /nfs/dbraw/zinc/80/25/18/607802518.db2.gz ZSFPIZCNNDPKBI-UHFFFAOYSA-N -1 3 382.446 0.524 20 0 GCADHM Cn1c2cccc(NC(=O)NCCNc3ncccc3-c3nnn[n-]3)c2oc1=O ZINC000826354813 607803952 /nfs/dbraw/zinc/80/39/52/607803952.db2.gz WCSDBHAEEMASRU-UHFFFAOYSA-N -1 3 395.383 0.940 20 0 GCADHM Cn1c2cccc(NC(=O)NCCNc3ncccc3-c3nn[n-]n3)c2oc1=O ZINC000826354813 607803953 /nfs/dbraw/zinc/80/39/53/607803953.db2.gz WCSDBHAEEMASRU-UHFFFAOYSA-N -1 3 395.383 0.940 20 0 GCADHM C[C@@H](Oc1cccc(CO)c1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824737306 607804601 /nfs/dbraw/zinc/80/46/01/607804601.db2.gz DYEMXEJJQOHMDB-BDJLRTHQSA-N -1 3 397.391 0.896 20 0 GCADHM C[C@@H](Oc1cccc(CO)c1)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824737306 607804602 /nfs/dbraw/zinc/80/46/02/607804602.db2.gz DYEMXEJJQOHMDB-BDJLRTHQSA-N -1 3 397.391 0.896 20 0 GCADHM CCC(CC)(CO)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000825089260 607805386 /nfs/dbraw/zinc/80/53/86/607805386.db2.gz ASPABDUQNQISEG-UHFFFAOYSA-N -1 3 376.417 0.729 20 0 GCADHM CCC(CC)(CO)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000825089260 607805387 /nfs/dbraw/zinc/80/53/87/607805387.db2.gz ASPABDUQNQISEG-UHFFFAOYSA-N -1 3 376.417 0.729 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826277345 607805640 /nfs/dbraw/zinc/80/56/40/607805640.db2.gz RJOPPCVNIBWABA-UHFFFAOYSA-N -1 3 395.427 0.644 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 ZINC000826277345 607805641 /nfs/dbraw/zinc/80/56/41/607805641.db2.gz RJOPPCVNIBWABA-UHFFFAOYSA-N -1 3 395.427 0.644 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000826454347 607805927 /nfs/dbraw/zinc/80/59/27/607805927.db2.gz SMTIIECEYYFCKC-LBPRGKRZSA-N -1 3 396.386 0.734 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000826454347 607805928 /nfs/dbraw/zinc/80/59/28/607805928.db2.gz SMTIIECEYYFCKC-LBPRGKRZSA-N -1 3 396.386 0.734 20 0 GCADHM CC(=O)OC1CCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824004965 607806811 /nfs/dbraw/zinc/80/68/11/607806811.db2.gz IDNDESCCSHAYNY-HNNXBMFYSA-N -1 3 384.396 0.526 20 0 GCADHM CC(=O)OC1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824004965 607806812 /nfs/dbraw/zinc/80/68/12/607806812.db2.gz IDNDESCCSHAYNY-HNNXBMFYSA-N -1 3 384.396 0.526 20 0 GCADHM CC(=O)OC1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000824010373 607811468 /nfs/dbraw/zinc/81/14/68/607811468.db2.gz KTCUIUKPIDZVDP-UHFFFAOYSA-N -1 3 387.368 0.861 20 0 GCADHM CC(=O)OC1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000824010373 607811469 /nfs/dbraw/zinc/81/14/69/607811469.db2.gz KTCUIUKPIDZVDP-UHFFFAOYSA-N -1 3 387.368 0.861 20 0 GCADHM CC(C)C[C@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824242825 607814405 /nfs/dbraw/zinc/81/44/05/607814405.db2.gz BWEVSCBBPBFFDW-CYBMUJFWSA-N -1 3 392.441 0.607 20 0 GCADHM CC(C)C[C@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824242825 607814406 /nfs/dbraw/zinc/81/44/06/607814406.db2.gz BWEVSCBBPBFFDW-CYBMUJFWSA-N -1 3 392.441 0.607 20 0 GCADHM COC(=O)[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826133055 607814719 /nfs/dbraw/zinc/81/47/19/607814719.db2.gz JGTJXWJCCZYAPA-AWEZNQCLSA-N -1 3 379.442 0.668 20 0 GCADHM COC(=O)[C@@H]1CCCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826133055 607814720 /nfs/dbraw/zinc/81/47/20/607814720.db2.gz JGTJXWJCCZYAPA-AWEZNQCLSA-N -1 3 379.442 0.668 20 0 GCADHM O=c1n(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nnn1-c1ccccc1 ZINC000826502135 607815082 /nfs/dbraw/zinc/81/50/82/607815082.db2.gz VKJUBJYZZBVWTB-UHFFFAOYSA-N -1 3 398.408 0.083 20 0 GCADHM O=c1n(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nnn1-c1ccccc1 ZINC000826502135 607815083 /nfs/dbraw/zinc/81/50/83/607815083.db2.gz VKJUBJYZZBVWTB-UHFFFAOYSA-N -1 3 398.408 0.083 20 0 GCADHM O=c1c2cccnc2ncn1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826501536 607815176 /nfs/dbraw/zinc/81/51/76/607815176.db2.gz UZGQPFWARARYNB-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM O=c1c2cccnc2ncn1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826501536 607815177 /nfs/dbraw/zinc/81/51/77/607815177.db2.gz UZGQPFWARARYNB-UHFFFAOYSA-N -1 3 383.393 0.446 20 0 GCADHM CCc1nnc2n1CCN(CCS(=O)(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000825770827 607815483 /nfs/dbraw/zinc/81/54/83/607815483.db2.gz DQQVDFREQXHTPB-UHFFFAOYSA-N -1 3 388.457 0.310 20 0 GCADHM CCc1nnc2n1CCN(CCS(=O)(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000825770827 607815484 /nfs/dbraw/zinc/81/54/84/607815484.db2.gz DQQVDFREQXHTPB-UHFFFAOYSA-N -1 3 388.457 0.310 20 0 GCADHM Cc1nc2n(c1C)CCN(CCS(=O)(=O)c1cccc(-c3nnn[n-]3)c1)C2 ZINC000826329244 607815600 /nfs/dbraw/zinc/81/56/00/607815600.db2.gz VVNWMKCRVXGFRE-UHFFFAOYSA-N -1 3 387.469 0.970 20 0 GCADHM Cc1nc2n(c1C)CCN(CCS(=O)(=O)c1cccc(-c3nn[n-]n3)c1)C2 ZINC000826329244 607815601 /nfs/dbraw/zinc/81/56/01/607815601.db2.gz VVNWMKCRVXGFRE-UHFFFAOYSA-N -1 3 387.469 0.970 20 0 GCADHM O=S(=O)(CCNCc1nnc2n1CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000826485100 607815696 /nfs/dbraw/zinc/81/56/96/607815696.db2.gz CBRSJEDBGJCNJO-UHFFFAOYSA-N -1 3 388.457 0.358 20 0 GCADHM O=S(=O)(CCNCc1nnc2n1CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000826485100 607815697 /nfs/dbraw/zinc/81/56/97/607815697.db2.gz CBRSJEDBGJCNJO-UHFFFAOYSA-N -1 3 388.457 0.358 20 0 GCADHM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000825937437 607817748 /nfs/dbraw/zinc/81/77/48/607817748.db2.gz DVTVWOPFGUGJQW-UHFFFAOYSA-N -1 3 379.380 0.573 20 0 GCADHM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000825937437 607817749 /nfs/dbraw/zinc/81/77/49/607817749.db2.gz DVTVWOPFGUGJQW-UHFFFAOYSA-N -1 3 379.380 0.573 20 0 GCADHM Cc1c(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cccc1S(N)(=O)=O ZINC000826233977 607818710 /nfs/dbraw/zinc/81/87/10/607818710.db2.gz CECXACZLAOIIKN-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM Cc1c(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cccc1S(N)(=O)=O ZINC000826233977 607818711 /nfs/dbraw/zinc/81/87/11/607818711.db2.gz CECXACZLAOIIKN-UHFFFAOYSA-N -1 3 390.400 0.892 20 0 GCADHM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000825938432 607824458 /nfs/dbraw/zinc/82/44/58/607824458.db2.gz SZQATHVJVKZTAR-UHFFFAOYSA-N -1 3 377.364 0.630 20 0 GCADHM CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000825938432 607824459 /nfs/dbraw/zinc/82/44/59/607824459.db2.gz SZQATHVJVKZTAR-UHFFFAOYSA-N -1 3 377.364 0.630 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824450514 607827663 /nfs/dbraw/zinc/82/76/63/607827663.db2.gz XDTBXIWCBUDEJP-NSHDSACASA-N -1 3 387.487 0.005 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824450514 607827664 /nfs/dbraw/zinc/82/76/64/607827664.db2.gz XDTBXIWCBUDEJP-NSHDSACASA-N -1 3 387.487 0.005 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000825946429 607828144 /nfs/dbraw/zinc/82/81/44/607828144.db2.gz XUUBSPYJUNBMID-OAHLLOKOSA-N -1 3 376.486 0.809 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000825946429 607828145 /nfs/dbraw/zinc/82/81/45/607828145.db2.gz XUUBSPYJUNBMID-OAHLLOKOSA-N -1 3 376.486 0.809 20 0 GCADHM O=S(=O)(CCN1CCC[C@H](OCCO)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484899 607828365 /nfs/dbraw/zinc/82/83/65/607828365.db2.gz UBUVXSYASQCIAG-AWEZNQCLSA-N -1 3 381.458 0.114 20 0 GCADHM O=S(=O)(CCN1CCC[C@H](OCCO)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484899 607828366 /nfs/dbraw/zinc/82/83/66/607828366.db2.gz UBUVXSYASQCIAG-AWEZNQCLSA-N -1 3 381.458 0.114 20 0 GCADHM O=S(=O)(CCN1CCC(C2OCCO2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484650 607828567 /nfs/dbraw/zinc/82/85/67/607828567.db2.gz KNUMBHYIWNSZIL-UHFFFAOYSA-N -1 3 393.469 0.725 20 0 GCADHM O=S(=O)(CCN1CCC(C2OCCO2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484650 607828568 /nfs/dbraw/zinc/82/85/68/607828568.db2.gz KNUMBHYIWNSZIL-UHFFFAOYSA-N -1 3 393.469 0.725 20 0 GCADHM CC[C@@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825152578 607828656 /nfs/dbraw/zinc/82/86/56/607828656.db2.gz CAEPUAVSLSKTQK-OAHLLOKOSA-N -1 3 394.501 0.029 20 0 GCADHM CC[C@@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825152578 607828657 /nfs/dbraw/zinc/82/86/57/607828657.db2.gz CAEPUAVSLSKTQK-OAHLLOKOSA-N -1 3 394.501 0.029 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824857473 607828693 /nfs/dbraw/zinc/82/86/93/607828693.db2.gz CLBDZFMGZIXGNP-NEPJUHHUSA-N -1 3 399.498 0.148 20 0 GCADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824857473 607828694 /nfs/dbraw/zinc/82/86/94/607828694.db2.gz CLBDZFMGZIXGNP-NEPJUHHUSA-N -1 3 399.498 0.148 20 0 GCADHM C[C@@H]1[C@H](C)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000824857474 607828765 /nfs/dbraw/zinc/82/87/65/607828765.db2.gz CLBDZFMGZIXGNP-NWDGAFQWSA-N -1 3 399.498 0.148 20 0 GCADHM C[C@@H]1[C@H](C)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000824857474 607828766 /nfs/dbraw/zinc/82/87/66/607828766.db2.gz CLBDZFMGZIXGNP-NWDGAFQWSA-N -1 3 399.498 0.148 20 0 GCADHM CC[C@@H](CO)N1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825121710 607828823 /nfs/dbraw/zinc/82/88/23/607828823.db2.gz UNPYTJPILOITPN-HNNXBMFYSA-N -1 3 394.501 0.029 20 0 GCADHM CC[C@@H](CO)N1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825121710 607828824 /nfs/dbraw/zinc/82/88/24/607828824.db2.gz UNPYTJPILOITPN-HNNXBMFYSA-N -1 3 394.501 0.029 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000825946160 607828962 /nfs/dbraw/zinc/82/89/62/607828962.db2.gz LEEOLZJABYLBSH-GFCCVEGCSA-N -1 3 399.498 0.007 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C[C@H]1CCS(=O)(=O)C1 ZINC000825946160 607828963 /nfs/dbraw/zinc/82/89/63/607828963.db2.gz LEEOLZJABYLBSH-GFCCVEGCSA-N -1 3 399.498 0.007 20 0 GCADHM O=C1CC2(CN1)CCN(CCS(=O)(=O)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826478763 607829156 /nfs/dbraw/zinc/82/91/56/607829156.db2.gz JIYQSUJEUCTYMI-UHFFFAOYSA-N -1 3 390.469 0.243 20 0 GCADHM O=C1CC2(CN1)CCN(CCS(=O)(=O)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826478763 607829157 /nfs/dbraw/zinc/82/91/57/607829157.db2.gz JIYQSUJEUCTYMI-UHFFFAOYSA-N -1 3 390.469 0.243 20 0 GCADHM O=S(=O)(CCN1CC[C@@](O)(C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484568 607829524 /nfs/dbraw/zinc/82/95/24/607829524.db2.gz HQOYUPBXGBKUPA-ZDUSSCGKSA-N -1 3 391.375 0.640 20 0 GCADHM O=S(=O)(CCN1CC[C@@](O)(C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484568 607829525 /nfs/dbraw/zinc/82/95/25/607829525.db2.gz HQOYUPBXGBKUPA-ZDUSSCGKSA-N -1 3 391.375 0.640 20 0 GCADHM CCOCCO[C@H]1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825603773 607829682 /nfs/dbraw/zinc/82/96/82/607829682.db2.gz BVILIXJRVGKEBE-HNNXBMFYSA-N -1 3 395.485 0.768 20 0 GCADHM CCOCCO[C@H]1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825603773 607829683 /nfs/dbraw/zinc/82/96/83/607829683.db2.gz BVILIXJRVGKEBE-HNNXBMFYSA-N -1 3 395.485 0.768 20 0 GCADHM O=S(=O)(CCN1CCS[C@@H]2COCC[C@H]21)c1cccc(-c2nnn[n-]2)c1 ZINC000826484946 607830420 /nfs/dbraw/zinc/83/04/20/607830420.db2.gz VTDBRIHVKRARHC-HUUCEWRRSA-N -1 3 395.510 0.847 20 0 GCADHM O=S(=O)(CCN1CCS[C@@H]2COCC[C@H]21)c1cccc(-c2nn[n-]n2)c1 ZINC000826484946 607830421 /nfs/dbraw/zinc/83/04/21/607830421.db2.gz VTDBRIHVKRARHC-HUUCEWRRSA-N -1 3 395.510 0.847 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826455948 607836479 /nfs/dbraw/zinc/83/64/79/607836479.db2.gz KJYIVIGFYDRKPY-CVEARBPZSA-N -1 3 396.407 0.406 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000826455948 607836480 /nfs/dbraw/zinc/83/64/80/607836480.db2.gz KJYIVIGFYDRKPY-CVEARBPZSA-N -1 3 396.407 0.406 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000825620410 607836676 /nfs/dbraw/zinc/83/66/76/607836676.db2.gz AVZIUOKQFRACBL-LBPRGKRZSA-N -1 3 387.444 0.757 20 0 GCADHM COCCNC(=O)CN1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC000826160508 607838703 /nfs/dbraw/zinc/83/87/03/607838703.db2.gz UQPRHFDVFTVNQY-UHFFFAOYSA-N -1 3 396.455 0.300 20 0 GCADHM COCCNC(=O)CN1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC000826160508 607838704 /nfs/dbraw/zinc/83/87/04/607838704.db2.gz UQPRHFDVFTVNQY-UHFFFAOYSA-N -1 3 396.455 0.300 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)C1 ZINC000826497151 607839421 /nfs/dbraw/zinc/83/94/21/607839421.db2.gz WDDLETWZDSMGAE-HNNXBMFYSA-N -1 3 399.480 0.724 20 0 GCADHM O=S1(=O)CC[C@H](N2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)C1 ZINC000826497151 607839422 /nfs/dbraw/zinc/83/94/22/607839422.db2.gz WDDLETWZDSMGAE-HNNXBMFYSA-N -1 3 399.480 0.724 20 0 GCADHM O=S(=O)(c1ccccc1F)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826496362 607839830 /nfs/dbraw/zinc/83/98/30/607839830.db2.gz SZKSOXQIFAKXBZ-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1ccccc1F)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826496362 607839831 /nfs/dbraw/zinc/83/98/31/607839831.db2.gz SZKSOXQIFAKXBZ-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000823974782 607852497 /nfs/dbraw/zinc/85/24/97/607852497.db2.gz RUXQHTZJPPDGPG-CQSZACIVSA-N -1 3 378.458 0.497 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000823974782 607852498 /nfs/dbraw/zinc/85/24/98/607852498.db2.gz RUXQHTZJPPDGPG-CQSZACIVSA-N -1 3 378.458 0.497 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)[C@H]2C1 ZINC000826145771 607852505 /nfs/dbraw/zinc/85/25/05/607852505.db2.gz LWHFDXSSMDWOAJ-OWCLPIDISA-N -1 3 393.469 0.965 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)[C@H]2C1 ZINC000826145771 607852506 /nfs/dbraw/zinc/85/25/06/607852506.db2.gz LWHFDXSSMDWOAJ-OWCLPIDISA-N -1 3 393.469 0.965 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000823972710 607852730 /nfs/dbraw/zinc/85/27/30/607852730.db2.gz FPAUOLUBKLKNJE-LLVKDONJSA-N -1 3 382.421 0.495 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000823972710 607852731 /nfs/dbraw/zinc/85/27/31/607852731.db2.gz FPAUOLUBKLKNJE-LLVKDONJSA-N -1 3 382.421 0.495 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000823973081 607852767 /nfs/dbraw/zinc/85/27/67/607852767.db2.gz HUAZONXGEFPOKA-NSHDSACASA-N -1 3 382.421 0.495 20 0 GCADHM CO[C@@H]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC000826146256 607852929 /nfs/dbraw/zinc/85/29/29/607852929.db2.gz SMDBGAKGKFYHML-VCTAVGKDSA-N -1 3 397.432 0.963 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC[C@@]2(O)CCOC2)cc1-c1nnn[n-]1 ZINC000825538131 607857212 /nfs/dbraw/zinc/85/72/12/607857212.db2.gz ABMPXSFCZJUYLG-INIZCTEOSA-N -1 3 391.388 0.708 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC[C@@]2(O)CCOC2)cc1-c1nn[n-]n1 ZINC000825538131 607857213 /nfs/dbraw/zinc/85/72/13/607857213.db2.gz ABMPXSFCZJUYLG-INIZCTEOSA-N -1 3 391.388 0.708 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC[C@]2(O)CCOC2)cc1-c1nnn[n-]1 ZINC000825538133 607857318 /nfs/dbraw/zinc/85/73/18/607857318.db2.gz ABMPXSFCZJUYLG-MRXNPFEDSA-N -1 3 391.388 0.708 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NC[C@]2(O)CCOC2)cc1-c1nn[n-]n1 ZINC000825538133 607857319 /nfs/dbraw/zinc/85/73/19/607857319.db2.gz ABMPXSFCZJUYLG-MRXNPFEDSA-N -1 3 391.388 0.708 20 0 GCADHM CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825771912 607859628 /nfs/dbraw/zinc/85/96/28/607859628.db2.gz VLGVUYKWQFQYAY-UHFFFAOYSA-N -1 3 385.384 0.989 20 0 GCADHM CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825771912 607859629 /nfs/dbraw/zinc/85/96/29/607859629.db2.gz VLGVUYKWQFQYAY-UHFFFAOYSA-N -1 3 385.384 0.989 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000823973972 607859901 /nfs/dbraw/zinc/85/99/01/607859901.db2.gz NBHWVXWSDASIDC-ZDUSSCGKSA-N -1 3 387.448 0.183 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000823973972 607859902 /nfs/dbraw/zinc/85/99/02/607859902.db2.gz NBHWVXWSDASIDC-ZDUSSCGKSA-N -1 3 387.448 0.183 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000825621650 607860447 /nfs/dbraw/zinc/86/04/47/607860447.db2.gz WJQBJHBNSSFUOP-JSGCOSHPSA-N -1 3 388.428 0.823 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000825621650 607860448 /nfs/dbraw/zinc/86/04/48/607860448.db2.gz WJQBJHBNSSFUOP-JSGCOSHPSA-N -1 3 388.428 0.823 20 0 GCADHM CN(C)c1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000825879310 607860755 /nfs/dbraw/zinc/86/07/55/607860755.db2.gz KTXOEVVLUSBQLZ-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM CN(C)c1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000825879310 607860756 /nfs/dbraw/zinc/86/07/56/607860756.db2.gz KTXOEVVLUSBQLZ-UHFFFAOYSA-N -1 3 384.375 0.722 20 0 GCADHM O=C(NC[C@@]1(O)CCOC1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826434490 607862460 /nfs/dbraw/zinc/86/24/60/607862460.db2.gz OFZYEAXVWFIPOK-SFHVURJKSA-N -1 3 385.380 0.920 20 0 GCADHM CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825909231 607863049 /nfs/dbraw/zinc/86/30/49/607863049.db2.gz UNCIMZJLRFSYNN-WFASDCNBSA-N -1 3 382.428 0.868 20 0 GCADHM CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825909231 607863050 /nfs/dbraw/zinc/86/30/50/607863050.db2.gz UNCIMZJLRFSYNN-WFASDCNBSA-N -1 3 382.428 0.868 20 0 GCADHM CC(C)(CNC(=O)COc1cccc(F)c1-c1nnn[n-]1)N1CCOCC1 ZINC000824158045 607863182 /nfs/dbraw/zinc/86/31/82/607863182.db2.gz PYICBNWSTHUZRH-UHFFFAOYSA-N -1 3 378.408 0.612 20 0 GCADHM CCOc1cc(-c2nnn[n-]2)cc(Cl)c1OC[C@H](O)CN1CCOCC1 ZINC000825609735 607872257 /nfs/dbraw/zinc/87/22/57/607872257.db2.gz SJQZALOCOPNSIW-GFCCVEGCSA-N -1 3 383.836 0.991 20 0 GCADHM CCOc1cc(-c2nn[n-]n2)cc(Cl)c1OC[C@H](O)CN1CCOCC1 ZINC000825609735 607872258 /nfs/dbraw/zinc/87/22/58/607872258.db2.gz SJQZALOCOPNSIW-GFCCVEGCSA-N -1 3 383.836 0.991 20 0 GCADHM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1cc(-c2nnn[n-]2)cs1 ZINC000826481804 607876477 /nfs/dbraw/zinc/87/64/77/607876477.db2.gz JENAXRLPSZDPQH-NSHDSACASA-N -1 3 384.377 0.898 20 0 GCADHM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1cc(-c2nn[n-]n2)cs1 ZINC000826481804 607876478 /nfs/dbraw/zinc/87/64/78/607876478.db2.gz JENAXRLPSZDPQH-NSHDSACASA-N -1 3 384.377 0.898 20 0 GCADHM CC[C@]1(c2ccc(OC(=O)c3cc(-c4nnn[n-]4)cn3C)cc2)NC(=O)NC1=O ZINC000825176569 607876981 /nfs/dbraw/zinc/87/69/81/607876981.db2.gz YHIXYHRFONMVDK-GOSISDBHSA-N -1 3 395.379 0.869 20 0 GCADHM CC[C@]1(c2ccc(OC(=O)c3cc(-c4nn[n-]n4)cn3C)cc2)NC(=O)NC1=O ZINC000825176569 607876982 /nfs/dbraw/zinc/87/69/82/607876982.db2.gz YHIXYHRFONMVDK-GOSISDBHSA-N -1 3 395.379 0.869 20 0 GCADHM C[C@H](Oc1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1)C(N)=O ZINC000824738870 607877111 /nfs/dbraw/zinc/87/71/11/607877111.db2.gz SVQREVZYBQSDMB-JSGCOSHPSA-N -1 3 399.407 0.938 20 0 GCADHM NC(=O)COc1ccc(OC[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826391593 607877600 /nfs/dbraw/zinc/87/76/00/607877600.db2.gz SCMJYWHYGKNZAZ-ZDUSSCGKSA-N -1 3 385.380 0.550 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@]3(CCOC3)C2=O)c1-c1nnn[n-]1 ZINC000826331847 607894401 /nfs/dbraw/zinc/89/44/01/607894401.db2.gz AHWOZUWBLQUNIB-SFHVURJKSA-N -1 3 394.395 0.572 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H](CO)Cc2ccco2)c1-c1nnn[n-]1 ZINC000826302560 607906479 /nfs/dbraw/zinc/90/64/79/607906479.db2.gz MYVKDWMNMKJHHL-LBPRGKRZSA-N -1 3 377.426 0.898 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H](CO)Cc2ccco2)c1-c1nn[n-]n1 ZINC000826302560 607906480 /nfs/dbraw/zinc/90/64/80/607906480.db2.gz MYVKDWMNMKJHHL-LBPRGKRZSA-N -1 3 377.426 0.898 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H](CO)Cc2ccco2)c1-c1nnn[n-]1 ZINC000826302559 607906649 /nfs/dbraw/zinc/90/66/49/607906649.db2.gz MYVKDWMNMKJHHL-GFCCVEGCSA-N -1 3 377.426 0.898 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H](CO)Cc2ccco2)c1-c1nn[n-]n1 ZINC000826302559 607906650 /nfs/dbraw/zinc/90/66/50/607906650.db2.gz MYVKDWMNMKJHHL-GFCCVEGCSA-N -1 3 377.426 0.898 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826363768 607907009 /nfs/dbraw/zinc/90/70/09/607907009.db2.gz BBLAOJGWFPSXNM-SNVBAGLBSA-N -1 3 377.405 0.918 20 0 GCADHM CC1=CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824852345 607911486 /nfs/dbraw/zinc/91/14/86/607911486.db2.gz LXAIDNHGBRPEQE-GFCCVEGCSA-N -1 3 376.442 0.712 20 0 GCADHM CC1=CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824852345 607911487 /nfs/dbraw/zinc/91/14/87/607911487.db2.gz LXAIDNHGBRPEQE-GFCCVEGCSA-N -1 3 376.442 0.712 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C1CCC1 ZINC000824640972 607912241 /nfs/dbraw/zinc/91/22/41/607912241.db2.gz QIRQXLPCBAHWJI-WDEREUQCSA-N -1 3 378.458 0.838 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C1CCC1 ZINC000824640972 607912242 /nfs/dbraw/zinc/91/22/42/607912242.db2.gz QIRQXLPCBAHWJI-WDEREUQCSA-N -1 3 378.458 0.838 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1cnc(C2CC2)nc1 ZINC000826411886 607914545 /nfs/dbraw/zinc/91/45/45/607914545.db2.gz REUFCOXWXONQPO-UHFFFAOYSA-N -1 3 392.423 0.623 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1cnc(C2CC2)nc1 ZINC000826411886 607914546 /nfs/dbraw/zinc/91/45/46/607914546.db2.gz REUFCOXWXONQPO-UHFFFAOYSA-N -1 3 392.423 0.623 20 0 GCADHM Cc1ccnc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826308984 607914576 /nfs/dbraw/zinc/91/45/76/607914576.db2.gz ZBSCVZATYKTDFD-UHFFFAOYSA-N -1 3 388.409 0.623 20 0 GCADHM Cc1ccnc(COC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826308984 607914577 /nfs/dbraw/zinc/91/45/77/607914577.db2.gz ZBSCVZATYKTDFD-UHFFFAOYSA-N -1 3 388.409 0.623 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823980951 607914655 /nfs/dbraw/zinc/91/46/55/607914655.db2.gz HORLEWDGMBYBSC-CVEARBPZSA-N -1 3 398.423 0.916 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823980951 607914656 /nfs/dbraw/zinc/91/46/56/607914656.db2.gz HORLEWDGMBYBSC-CVEARBPZSA-N -1 3 398.423 0.916 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824176870 607914791 /nfs/dbraw/zinc/91/47/91/607914791.db2.gz BSJJXJKQEXBLNK-UHFFFAOYSA-N -1 3 393.835 0.737 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824176870 607914792 /nfs/dbraw/zinc/91/47/92/607914792.db2.gz BSJJXJKQEXBLNK-UHFFFAOYSA-N -1 3 393.835 0.737 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826363958 607915349 /nfs/dbraw/zinc/91/53/49/607915349.db2.gz GSWPBOCYTXMPCB-CQSZACIVSA-N -1 3 380.412 0.346 20 0 GCADHM Cn1ccnc1[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826363958 607915350 /nfs/dbraw/zinc/91/53/50/607915350.db2.gz GSWPBOCYTXMPCB-CQSZACIVSA-N -1 3 380.412 0.346 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826068434 607928141 /nfs/dbraw/zinc/92/81/41/607928141.db2.gz UDPIKZDAACATHR-AWEZNQCLSA-N -1 3 375.433 0.705 20 0 GCADHM O=C(NCCc1cnc(C2CC2)nc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826439939 607928848 /nfs/dbraw/zinc/92/88/48/607928848.db2.gz REGQWCHUWWIRBE-UHFFFAOYSA-N -1 3 378.396 0.832 20 0 GCADHM O=C(NCCc1cnc(C2CC2)nc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826439939 607928849 /nfs/dbraw/zinc/92/88/49/607928849.db2.gz REGQWCHUWWIRBE-UHFFFAOYSA-N -1 3 378.396 0.832 20 0 GCADHM Cn1ccnc1[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826364311 607929712 /nfs/dbraw/zinc/92/97/12/607929712.db2.gz RLUMUBFRDZASSF-NSHDSACASA-N -1 3 384.375 0.694 20 0 GCADHM Cn1ccnc1[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826364311 607929713 /nfs/dbraw/zinc/92/97/13/607929713.db2.gz RLUMUBFRDZASSF-NSHDSACASA-N -1 3 384.375 0.694 20 0 GCADHM O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826421300 607929753 /nfs/dbraw/zinc/92/97/53/607929753.db2.gz ARTNWIXQHMLQMF-LBPRGKRZSA-N -1 3 387.429 0.763 20 0 GCADHM O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826421300 607929754 /nfs/dbraw/zinc/92/97/54/607929754.db2.gz ARTNWIXQHMLQMF-LBPRGKRZSA-N -1 3 387.429 0.763 20 0 GCADHM O=C(COC(=O)C[C@@H]1C=CS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826415713 607929803 /nfs/dbraw/zinc/92/98/03/607929803.db2.gz PJAXAIXNRXPWIE-JTQLQIEISA-N -1 3 377.382 0.297 20 0 GCADHM O=C(COC(=O)C[C@@H]1C=CS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826415713 607929804 /nfs/dbraw/zinc/92/98/04/607929804.db2.gz PJAXAIXNRXPWIE-JTQLQIEISA-N -1 3 377.382 0.297 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000826184695 607929821 /nfs/dbraw/zinc/92/98/21/607929821.db2.gz HEFQUATVDIQPSZ-LBPRGKRZSA-N -1 3 396.411 0.563 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000826184695 607929822 /nfs/dbraw/zinc/92/98/22/607929822.db2.gz HEFQUATVDIQPSZ-LBPRGKRZSA-N -1 3 396.411 0.563 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000826277413 607929827 /nfs/dbraw/zinc/92/98/27/607929827.db2.gz TUGYCAKMCCCUAP-ZDUSSCGKSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000826277413 607929828 /nfs/dbraw/zinc/92/98/28/607929828.db2.gz TUGYCAKMCCCUAP-ZDUSSCGKSA-N -1 3 380.412 0.863 20 0 GCADHM CCCCN(CCO)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825284899 607932370 /nfs/dbraw/zinc/93/23/70/607932370.db2.gz BWCBSIBEDJQDAM-LBPRGKRZSA-N -1 3 396.473 0.155 20 0 GCADHM CCCCN(CCO)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825284899 607932371 /nfs/dbraw/zinc/93/23/71/607932371.db2.gz BWCBSIBEDJQDAM-LBPRGKRZSA-N -1 3 396.473 0.155 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cn1C ZINC000826067811 607933452 /nfs/dbraw/zinc/93/34/52/607933452.db2.gz LCORHVPIDBRQPX-UHFFFAOYSA-N -1 3 387.425 0.316 20 0 GCADHM CNC(=O)c1cc(S(=O)(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cn1C ZINC000826067811 607933453 /nfs/dbraw/zinc/93/34/53/607933453.db2.gz LCORHVPIDBRQPX-UHFFFAOYSA-N -1 3 387.425 0.316 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)c1cncc(N2CCOCC2)c1 ZINC000826438827 607934463 /nfs/dbraw/zinc/93/44/63/607934463.db2.gz SDEDIOBDWPERSZ-UHFFFAOYSA-N -1 3 395.427 0.335 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)c1cncc(N2CCOCC2)c1 ZINC000826438827 607934464 /nfs/dbraw/zinc/93/44/64/607934464.db2.gz SDEDIOBDWPERSZ-UHFFFAOYSA-N -1 3 395.427 0.335 20 0 GCADHM COC(=O)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826138122 607937389 /nfs/dbraw/zinc/93/73/89/607937389.db2.gz FMAIESLSTGLFPR-UHFFFAOYSA-N -1 3 379.320 0.679 20 0 GCADHM COC(=O)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826138122 607937390 /nfs/dbraw/zinc/93/73/90/607937390.db2.gz FMAIESLSTGLFPR-UHFFFAOYSA-N -1 3 379.320 0.679 20 0 GCADHM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccncc1-c1nnn[n-]1)C2=O ZINC000824874675 607939920 /nfs/dbraw/zinc/93/99/20/607939920.db2.gz FUTWLCRJQPDVSQ-QWRGUYRKSA-N -1 3 398.427 0.369 20 0 GCADHM C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ccncc1-c1nn[n-]n1)C2=O ZINC000824874675 607939921 /nfs/dbraw/zinc/93/99/21/607939921.db2.gz FUTWLCRJQPDVSQ-QWRGUYRKSA-N -1 3 398.427 0.369 20 0 GCADHM Cc1cc(CNC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)ncn1 ZINC000826266796 607939949 /nfs/dbraw/zinc/93/99/49/607939949.db2.gz BOTKNLGWVULDRY-UHFFFAOYSA-N -1 3 393.455 0.993 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826454401 607944171 /nfs/dbraw/zinc/94/41/71/607944171.db2.gz VGRDOGTWICKDSG-SSDOTTSWSA-N -1 3 376.270 0.374 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826454401 607944172 /nfs/dbraw/zinc/94/41/72/607944172.db2.gz VGRDOGTWICKDSG-SSDOTTSWSA-N -1 3 376.270 0.374 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826451898 607944252 /nfs/dbraw/zinc/94/42/52/607944252.db2.gz AWQCWHWSNCLXQP-SSDOTTSWSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826451898 607944253 /nfs/dbraw/zinc/94/42/53/607944253.db2.gz AWQCWHWSNCLXQP-SSDOTTSWSA-N -1 3 392.725 0.888 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@H](CO)CC(F)(F)F ZINC000826453357 607944444 /nfs/dbraw/zinc/94/44/44/607944444.db2.gz IIKXGLZHHBXPCI-ZETCQYMHSA-N -1 3 376.270 0.374 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@H](CO)CC(F)(F)F ZINC000826453357 607944445 /nfs/dbraw/zinc/94/44/45/607944445.db2.gz IIKXGLZHHBXPCI-ZETCQYMHSA-N -1 3 376.270 0.374 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825341377 607947095 /nfs/dbraw/zinc/94/70/95/607947095.db2.gz BCRRRAVJVRFFOB-CQSZACIVSA-N -1 3 390.469 0.960 20 0 GCADHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825341377 607947096 /nfs/dbraw/zinc/94/70/96/607947096.db2.gz BCRRRAVJVRFFOB-CQSZACIVSA-N -1 3 390.469 0.960 20 0 GCADHM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(-c3nnn[n-]3)cn1)C2=O ZINC000824874298 607962070 /nfs/dbraw/zinc/96/20/70/607962070.db2.gz BVLQEYLVTZZFSA-XGISUXEOSA-N -1 3 398.427 0.947 20 0 GCADHM C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1ccc(-c3nn[n-]n3)cn1)C2=O ZINC000824874298 607962071 /nfs/dbraw/zinc/96/20/71/607962071.db2.gz BVLQEYLVTZZFSA-XGISUXEOSA-N -1 3 398.427 0.947 20 0 GCADHM CCS(=O)(=O)NCC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000825663262 607964855 /nfs/dbraw/zinc/96/48/55/607964855.db2.gz KUYHKWHFNKAIMP-UHFFFAOYSA-N -1 3 384.487 0.155 20 0 GCADHM CCS(=O)(=O)NCC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000825663262 607964856 /nfs/dbraw/zinc/96/48/56/607964856.db2.gz KUYHKWHFNKAIMP-UHFFFAOYSA-N -1 3 384.487 0.155 20 0 GCADHM Cc1c(CCC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cnn1C ZINC000826236373 607965714 /nfs/dbraw/zinc/96/57/14/607965714.db2.gz JJJYMYHTUDJQRG-UHFFFAOYSA-N -1 3 381.444 0.585 20 0 GCADHM Cc1c(CCC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cnn1C ZINC000826236373 607965715 /nfs/dbraw/zinc/96/57/15/607965715.db2.gz JJJYMYHTUDJQRG-UHFFFAOYSA-N -1 3 381.444 0.585 20 0 GCADHM CCn1cc(C(=O)C(=O)N(CCOC)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825800011 607970380 /nfs/dbraw/zinc/97/03/80/607970380.db2.gz ZCXOOPOJCJEFHP-UHFFFAOYSA-N -1 3 383.412 0.941 20 0 GCADHM CCn1cc(C(=O)C(=O)N(CCOC)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825800011 607970381 /nfs/dbraw/zinc/97/03/81/607970381.db2.gz ZCXOOPOJCJEFHP-UHFFFAOYSA-N -1 3 383.412 0.941 20 0 GCADHM O=S(=O)(c1ccccn1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826496292 607971026 /nfs/dbraw/zinc/97/10/26/607971026.db2.gz RBIBRYGZCNKQSE-UHFFFAOYSA-N -1 3 385.453 0.768 20 0 GCADHM O=S(=O)(c1ccccn1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826496292 607971027 /nfs/dbraw/zinc/97/10/27/607971027.db2.gz RBIBRYGZCNKQSE-UHFFFAOYSA-N -1 3 385.453 0.768 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000825493430 607973140 /nfs/dbraw/zinc/97/31/40/607973140.db2.gz LJTXCEJZKHATDA-CQSZACIVSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000825493430 607973141 /nfs/dbraw/zinc/97/31/41/607973141.db2.gz LJTXCEJZKHATDA-CQSZACIVSA-N -1 3 395.441 0.503 20 0 GCADHM COC(=O)[C@]1(NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCSC1 ZINC000826124175 607973207 /nfs/dbraw/zinc/97/32/07/607973207.db2.gz PUBABTAHNFYCLZ-AWEZNQCLSA-N -1 3 383.455 0.502 20 0 GCADHM COC(=O)[C@]1(NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCSC1 ZINC000826124175 607973208 /nfs/dbraw/zinc/97/32/08/607973208.db2.gz PUBABTAHNFYCLZ-AWEZNQCLSA-N -1 3 383.455 0.502 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CCSCC1 ZINC000826124550 607973297 /nfs/dbraw/zinc/97/32/97/607973297.db2.gz UDMVQXIYMVEFHL-UHFFFAOYSA-N -1 3 383.455 0.584 20 0 GCADHM COC(=O)C1(NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CCSCC1 ZINC000826124550 607973298 /nfs/dbraw/zinc/97/32/98/607973298.db2.gz UDMVQXIYMVEFHL-UHFFFAOYSA-N -1 3 383.455 0.584 20 0 GCADHM C[C@H](Oc1cccc(OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1)C(N)=O ZINC000824744366 607973317 /nfs/dbraw/zinc/97/33/17/607973317.db2.gz APWWFTOEBKAECY-LBPRGKRZSA-N -1 3 396.407 0.815 20 0 GCADHM C[C@H](Oc1cccc(OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1)C(N)=O ZINC000824744366 607973318 /nfs/dbraw/zinc/97/33/18/607973318.db2.gz APWWFTOEBKAECY-LBPRGKRZSA-N -1 3 396.407 0.815 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCSC1 ZINC000826124185 607973340 /nfs/dbraw/zinc/97/33/40/607973340.db2.gz PUBABTAHNFYCLZ-CQSZACIVSA-N -1 3 383.455 0.502 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCSC1 ZINC000826124185 607973341 /nfs/dbraw/zinc/97/33/41/607973341.db2.gz PUBABTAHNFYCLZ-CQSZACIVSA-N -1 3 383.455 0.502 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CCSC1 ZINC000826125014 607973712 /nfs/dbraw/zinc/97/37/12/607973712.db2.gz ZLWPWPOWSZEGJY-CQSZACIVSA-N -1 3 383.455 0.502 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CCSC1 ZINC000826125014 607973713 /nfs/dbraw/zinc/97/37/13/607973713.db2.gz ZLWPWPOWSZEGJY-CQSZACIVSA-N -1 3 383.455 0.502 20 0 GCADHM C[C@H](Oc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1)C(N)=O ZINC000824745196 607973984 /nfs/dbraw/zinc/97/39/84/607973984.db2.gz OOUOHDVQWFVTEZ-JTQLQIEISA-N -1 3 389.393 0.887 20 0 GCADHM C[C@H](Oc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000824745196 607973985 /nfs/dbraw/zinc/97/39/85/607973985.db2.gz OOUOHDVQWFVTEZ-JTQLQIEISA-N -1 3 389.393 0.887 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)cn1 ZINC000825799679 607980508 /nfs/dbraw/zinc/98/05/08/607980508.db2.gz QLVWGLQCQLPGIR-JTQLQIEISA-N -1 3 383.368 0.836 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)cn1 ZINC000825799679 607980509 /nfs/dbraw/zinc/98/05/09/607980509.db2.gz QLVWGLQCQLPGIR-JTQLQIEISA-N -1 3 383.368 0.836 20 0 GCADHM COCC(=O)N(C)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826147537 607981762 /nfs/dbraw/zinc/98/17/62/607981762.db2.gz AQRMPONTZFTBTF-UHFFFAOYSA-N -1 3 388.428 0.341 20 0 GCADHM CN(C(=O)NCCSCc1ccccc1-c1nnn[n-]1)[C@H]1CCNC1=O ZINC000825820598 607986693 /nfs/dbraw/zinc/98/66/93/607986693.db2.gz LZTYPTGJHFTKEM-ZDUSSCGKSA-N -1 3 375.458 0.630 20 0 GCADHM CN(C(=O)NCCSCc1ccccc1-c1nn[n-]n1)[C@H]1CCNC1=O ZINC000825820598 607986694 /nfs/dbraw/zinc/98/66/94/607986694.db2.gz LZTYPTGJHFTKEM-ZDUSSCGKSA-N -1 3 375.458 0.630 20 0 GCADHM COCC1(O)CCN(CC(=O)Nc2sc(C)c(C)c2-c2nnn[n-]2)CC1 ZINC000826153559 607991137 /nfs/dbraw/zinc/99/11/37/607991137.db2.gz SFLKMZMHJFYWDL-UHFFFAOYSA-N -1 3 380.474 0.957 20 0 GCADHM COCC1(O)CCN(CC(=O)Nc2sc(C)c(C)c2-c2nn[n-]n2)CC1 ZINC000826153559 607991138 /nfs/dbraw/zinc/99/11/38/607991138.db2.gz SFLKMZMHJFYWDL-UHFFFAOYSA-N -1 3 380.474 0.957 20 0 GCADHM COCC1(O)CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826153306 607991147 /nfs/dbraw/zinc/99/11/47/607991147.db2.gz ITLKCPGZSOQSEX-UHFFFAOYSA-N -1 3 380.836 0.932 20 0 GCADHM COCC1(O)CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826153306 607991148 /nfs/dbraw/zinc/99/11/48/607991148.db2.gz ITLKCPGZSOQSEX-UHFFFAOYSA-N -1 3 380.836 0.932 20 0 GCADHM CCS(=O)(=O)CCN(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000825663542 607991740 /nfs/dbraw/zinc/99/17/40/607991740.db2.gz RHEPCKIUEPQOFB-UHFFFAOYSA-N -1 3 377.430 0.783 20 0 GCADHM CCS(=O)(=O)CCN(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000825663542 607991741 /nfs/dbraw/zinc/99/17/41/607991741.db2.gz RHEPCKIUEPQOFB-UHFFFAOYSA-N -1 3 377.430 0.783 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000825663772 607991870 /nfs/dbraw/zinc/99/18/70/607991870.db2.gz VYXFXTDJNORJGQ-LLVKDONJSA-N -1 3 384.487 0.400 20 0 GCADHM CCS(=O)(=O)CCN(C)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000825663772 607991871 /nfs/dbraw/zinc/99/18/71/607991871.db2.gz VYXFXTDJNORJGQ-LLVKDONJSA-N -1 3 384.487 0.400 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCSC[C@H]1CCO ZINC000826494192 608001205 /nfs/dbraw/zinc/00/12/05/608001205.db2.gz RVPDVBGCMXWIIO-SECBINFHSA-N -1 3 391.425 0.633 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCSC[C@H]1CCO ZINC000826494192 608001206 /nfs/dbraw/zinc/00/12/06/608001206.db2.gz RVPDVBGCMXWIIO-SECBINFHSA-N -1 3 391.425 0.633 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826495460 608001220 /nfs/dbraw/zinc/00/12/20/608001220.db2.gz PSWJZZBXSMQIBO-LLVKDONJSA-N -1 3 382.421 0.101 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826495460 608001221 /nfs/dbraw/zinc/00/12/21/608001221.db2.gz PSWJZZBXSMQIBO-LLVKDONJSA-N -1 3 382.421 0.101 20 0 GCADHM CC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000823988785 608002083 /nfs/dbraw/zinc/00/20/83/608002083.db2.gz JOIWQKIZRYAPGD-CYBMUJFWSA-N -1 3 382.421 0.436 20 0 GCADHM CC(=O)N[C@@H]1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000823988785 608002084 /nfs/dbraw/zinc/00/20/84/608002084.db2.gz JOIWQKIZRYAPGD-CYBMUJFWSA-N -1 3 382.421 0.436 20 0 GCADHM CC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000823988787 608002200 /nfs/dbraw/zinc/00/22/00/608002200.db2.gz JOIWQKIZRYAPGD-ZDUSSCGKSA-N -1 3 382.421 0.436 20 0 GCADHM CC(=O)N[C@H]1CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000823988787 608002201 /nfs/dbraw/zinc/00/22/01/608002201.db2.gz JOIWQKIZRYAPGD-ZDUSSCGKSA-N -1 3 382.421 0.436 20 0 GCADHM C[C@@H](CO)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824436261 608005404 /nfs/dbraw/zinc/00/54/04/608005404.db2.gz RIQIRWUCUZGNNW-NEPJUHHUSA-N -1 3 396.473 0.058 20 0 GCADHM C[C@@H](CO)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824436261 608005405 /nfs/dbraw/zinc/00/54/05/608005405.db2.gz RIQIRWUCUZGNNW-NEPJUHHUSA-N -1 3 396.473 0.058 20 0 GCADHM COC(=O)C1(NC(=O)COc2ccccc2-c2nnn[n-]2)CCSCC1 ZINC000826123765 608006331 /nfs/dbraw/zinc/00/63/31/608006331.db2.gz JESVZQWEFWGFOQ-UHFFFAOYSA-N -1 3 377.426 0.801 20 0 GCADHM COC(=O)C1(NC(=O)COc2ccccc2-c2nn[n-]n2)CCSCC1 ZINC000826123765 608006332 /nfs/dbraw/zinc/00/63/32/608006332.db2.gz JESVZQWEFWGFOQ-UHFFFAOYSA-N -1 3 377.426 0.801 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000825492369 608006862 /nfs/dbraw/zinc/00/68/62/608006862.db2.gz FFJQDMKTCGMFHB-MRXNPFEDSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000825492369 608006863 /nfs/dbraw/zinc/00/68/63/608006863.db2.gz FFJQDMKTCGMFHB-MRXNPFEDSA-N -1 3 389.412 0.720 20 0 GCADHM CCS(=O)(=O)CCN(C)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825659579 608008585 /nfs/dbraw/zinc/00/85/85/608008585.db2.gz VLYAQROXLFPFBW-HNNXBMFYSA-N -1 3 392.485 0.729 20 0 GCADHM COC[C@@H](NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(N)=O ZINC000826151315 608008601 /nfs/dbraw/zinc/00/86/01/608008601.db2.gz YXABSJDVGUAOFB-MRXNPFEDSA-N -1 3 396.407 0.676 20 0 GCADHM COC[C@@H](NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(N)=O ZINC000826151315 608008602 /nfs/dbraw/zinc/00/86/02/608008602.db2.gz YXABSJDVGUAOFB-MRXNPFEDSA-N -1 3 396.407 0.676 20 0 GCADHM COC[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(N)=O ZINC000826151295 608008631 /nfs/dbraw/zinc/00/86/31/608008631.db2.gz YONTVEDLYCIFPI-OAHLLOKOSA-N -1 3 396.407 0.676 20 0 GCADHM COC[C@@H](NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(N)=O ZINC000826151295 608008632 /nfs/dbraw/zinc/00/86/32/608008632.db2.gz YONTVEDLYCIFPI-OAHLLOKOSA-N -1 3 396.407 0.676 20 0 GCADHM COC[C@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826150583 608009280 /nfs/dbraw/zinc/00/92/80/608009280.db2.gz HTXDWCUQUXYBEM-ZDUSSCGKSA-N -1 3 386.368 0.269 20 0 GCADHM COC[C@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826150583 608009281 /nfs/dbraw/zinc/00/92/81/608009281.db2.gz HTXDWCUQUXYBEM-ZDUSSCGKSA-N -1 3 386.368 0.269 20 0 GCADHM COC[C@H](NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(N)=O ZINC000826150373 608009474 /nfs/dbraw/zinc/00/94/74/608009474.db2.gz CLZRZIIQZNICTN-ZDUSSCGKSA-N -1 3 386.368 0.269 20 0 GCADHM Cc1nc(SCC(=O)N(C)[C@H]2CCNC2=O)c(-c2nnn[n-]2)c(C)c1C ZINC000826327482 608010740 /nfs/dbraw/zinc/01/07/40/608010740.db2.gz JNVPPQXQHJQHBD-NSHDSACASA-N -1 3 375.458 0.626 20 0 GCADHM Cc1nc(SCC(=O)N(C)[C@H]2CCNC2=O)c(-c2nn[n-]n2)c(C)c1C ZINC000826327482 608010741 /nfs/dbraw/zinc/01/07/41/608010741.db2.gz JNVPPQXQHJQHBD-NSHDSACASA-N -1 3 375.458 0.626 20 0 GCADHM O=c1cc(CSc2nnc(CO)n2C2CC2)[nH]c2c(-c3nnn[n-]3)cnn21 ZINC000826510885 608014473 /nfs/dbraw/zinc/01/44/73/608014473.db2.gz PTWWWVPENIWGCC-UHFFFAOYSA-N -1 3 386.401 0.326 20 0 GCADHM O=C(CN1C(=O)NC2(CCC(=O)CC2)C1=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826479623 608014611 /nfs/dbraw/zinc/01/46/11/608014611.db2.gz DIBAZWXPLSMSRY-UHFFFAOYSA-N -1 3 383.368 0.239 20 0 GCADHM O=C(CN1C(=O)NC2(CCC(=O)CC2)C1=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826479623 608014612 /nfs/dbraw/zinc/01/46/12/608014612.db2.gz DIBAZWXPLSMSRY-UHFFFAOYSA-N -1 3 383.368 0.239 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000825498973 608025213 /nfs/dbraw/zinc/02/52/13/608025213.db2.gz FHNJCCCACGAKQN-NSHDSACASA-N -1 3 376.421 0.562 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000825498973 608025214 /nfs/dbraw/zinc/02/52/14/608025214.db2.gz FHNJCCCACGAKQN-NSHDSACASA-N -1 3 376.421 0.562 20 0 GCADHM O=S1(=O)CC[C@@H](CCN2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000826496414 608032487 /nfs/dbraw/zinc/03/24/87/608032487.db2.gz VRQNALPZQRCFRO-MRXNPFEDSA-N -1 3 390.513 0.809 20 0 GCADHM O=S1(=O)CC[C@@H](CCN2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000826496414 608032488 /nfs/dbraw/zinc/03/24/88/608032488.db2.gz VRQNALPZQRCFRO-MRXNPFEDSA-N -1 3 390.513 0.809 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000824670180 608038567 /nfs/dbraw/zinc/03/85/67/608038567.db2.gz LPPFURFKXRDWLP-LBPRGKRZSA-N -1 3 376.270 0.374 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000824670180 608038568 /nfs/dbraw/zinc/03/85/68/608038568.db2.gz LPPFURFKXRDWLP-LBPRGKRZSA-N -1 3 376.270 0.374 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000824633793 608038635 /nfs/dbraw/zinc/03/86/35/608038635.db2.gz QIYNJEYCNQETQU-QWRGUYRKSA-N -1 3 389.441 0.739 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ccc[nH]1 ZINC000824633793 608038636 /nfs/dbraw/zinc/03/86/36/608038636.db2.gz QIYNJEYCNQETQU-QWRGUYRKSA-N -1 3 389.441 0.739 20 0 GCADHM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000825499315 608038641 /nfs/dbraw/zinc/03/86/41/608038641.db2.gz KFRCMIKDQRUGRD-SECBINFHSA-N -1 3 378.364 0.650 20 0 GCADHM CCOC(=O)C[C@@H](C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000825499315 608038642 /nfs/dbraw/zinc/03/86/42/608038642.db2.gz KFRCMIKDQRUGRD-SECBINFHSA-N -1 3 378.364 0.650 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(F)(F)F ZINC000824671034 608038812 /nfs/dbraw/zinc/03/88/12/608038812.db2.gz VCHARRIVHGNJHI-LBPRGKRZSA-N -1 3 376.270 0.374 20 0 GCADHM C[C@](O)(CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(F)(F)F ZINC000824671034 608038813 /nfs/dbraw/zinc/03/88/13/608038813.db2.gz VCHARRIVHGNJHI-LBPRGKRZSA-N -1 3 376.270 0.374 20 0 GCADHM C[C@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCN1C ZINC000824984532 608042184 /nfs/dbraw/zinc/04/21/84/608042184.db2.gz LBJQIKKZGPBWER-ZDUSSCGKSA-N -1 3 381.444 0.627 20 0 GCADHM O=S(=O)(CCN1CCOC[C@@H]1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826484656 608042837 /nfs/dbraw/zinc/04/28/37/608042837.db2.gz KRWKUTCOCKPIPY-GFCCVEGCSA-N -1 3 391.375 0.904 20 0 GCADHM O=S(=O)(CCN1CCOC[C@@H]1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826484656 608042838 /nfs/dbraw/zinc/04/28/38/608042838.db2.gz KRWKUTCOCKPIPY-GFCCVEGCSA-N -1 3 391.375 0.904 20 0 GCADHM O=S(=O)(CCN1CCOC[C@H]1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000826484436 608043975 /nfs/dbraw/zinc/04/39/75/608043975.db2.gz CSOWUDBFWGCTKR-LBPRGKRZSA-N -1 3 391.375 0.904 20 0 GCADHM O=S(=O)(CCN1CCOC[C@H]1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826484436 608043976 /nfs/dbraw/zinc/04/39/76/608043976.db2.gz CSOWUDBFWGCTKR-LBPRGKRZSA-N -1 3 391.375 0.904 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000826388606 608044817 /nfs/dbraw/zinc/04/48/17/608044817.db2.gz FFMLFFBYXOUCBM-DYVFJYSZSA-N -1 3 386.456 0.911 20 0 GCADHM O=C(NCCO)C1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826438532 608048050 /nfs/dbraw/zinc/04/80/50/608048050.db2.gz HAGIVLTVQPOAQB-UHFFFAOYSA-N -1 3 395.261 0.954 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826432336 608048953 /nfs/dbraw/zinc/04/89/53/608048953.db2.gz XYPWTGJJAUGRLI-KBPBESRZSA-N -1 3 392.441 0.137 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826432336 608048954 /nfs/dbraw/zinc/04/89/54/608048954.db2.gz XYPWTGJJAUGRLI-KBPBESRZSA-N -1 3 392.441 0.137 20 0 GCADHM O=c1n(CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nc2cnccn21 ZINC000826501739 608055119 /nfs/dbraw/zinc/05/51/19/608055119.db2.gz FQDQXLWEZVSCAP-CQSZACIVSA-N -1 3 379.384 0.102 20 0 GCADHM O=c1n(CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nc2cnccn21 ZINC000826501739 608055120 /nfs/dbraw/zinc/05/51/20/608055120.db2.gz FQDQXLWEZVSCAP-CQSZACIVSA-N -1 3 379.384 0.102 20 0 GCADHM Cn1ccnc1N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000826364748 608055204 /nfs/dbraw/zinc/05/52/04/608055204.db2.gz JGRJTOJPVJZQKK-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM Cn1ccnc1N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826364748 608055205 /nfs/dbraw/zinc/05/52/05/608055205.db2.gz JGRJTOJPVJZQKK-UHFFFAOYSA-N -1 3 392.420 0.250 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826487511 608056112 /nfs/dbraw/zinc/05/61/12/608056112.db2.gz QJPBMBIKSNWMOB-AWEZNQCLSA-N -1 3 376.398 0.758 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826487511 608056113 /nfs/dbraw/zinc/05/61/13/608056113.db2.gz QJPBMBIKSNWMOB-AWEZNQCLSA-N -1 3 376.398 0.758 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCN(c2ncccc2F)CC1 ZINC000826495559 608056142 /nfs/dbraw/zinc/05/61/42/608056142.db2.gz UBGLAEHONWRQPK-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCN(c2ncccc2F)CC1 ZINC000826495559 608056143 /nfs/dbraw/zinc/05/61/43/608056143.db2.gz UBGLAEHONWRQPK-UHFFFAOYSA-N -1 3 389.416 0.912 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825901158 608056448 /nfs/dbraw/zinc/05/64/48/608056448.db2.gz BVIWTFUVYCBYHG-OAHLLOKOSA-N -1 3 378.458 0.827 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825901158 608056449 /nfs/dbraw/zinc/05/64/49/608056449.db2.gz BVIWTFUVYCBYHG-OAHLLOKOSA-N -1 3 378.458 0.827 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826103288 608057195 /nfs/dbraw/zinc/05/71/95/608057195.db2.gz FTQQOAWEMLCRDU-MRVPVSSYSA-N -1 3 375.357 0.650 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826103288 608057196 /nfs/dbraw/zinc/05/71/96/608057196.db2.gz FTQQOAWEMLCRDU-MRVPVSSYSA-N -1 3 375.357 0.650 20 0 GCADHM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826104247 608057207 /nfs/dbraw/zinc/05/72/07/608057207.db2.gz SNCURPJCGLIYOT-VIFPVBQESA-N -1 3 395.775 0.995 20 0 GCADHM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826104247 608057208 /nfs/dbraw/zinc/05/72/08/608057208.db2.gz SNCURPJCGLIYOT-VIFPVBQESA-N -1 3 395.775 0.995 20 0 GCADHM COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826104412 608057304 /nfs/dbraw/zinc/05/73/04/608057304.db2.gz WCVHRDPUYRIERM-MRVPVSSYSA-N -1 3 379.320 0.481 20 0 GCADHM C[C@@H](CN1CCCC1=O)NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824414207 608061719 /nfs/dbraw/zinc/06/17/19/608061719.db2.gz XMDIFPRHYDJURG-XJKSGUPXSA-N -1 3 399.455 0.961 20 0 GCADHM C[C@@H](CN1CCCC1=O)NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824414207 608061720 /nfs/dbraw/zinc/06/17/20/608061720.db2.gz XMDIFPRHYDJURG-XJKSGUPXSA-N -1 3 399.455 0.961 20 0 GCADHM CN1CCO[C@@H](CNC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000826044226 608062743 /nfs/dbraw/zinc/06/27/43/608062743.db2.gz CXAWIDUKJXCLHS-HOTGVXAUSA-N -1 3 387.444 0.280 20 0 GCADHM CN1CCO[C@@H](CNC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000826044226 608062744 /nfs/dbraw/zinc/06/27/44/608062744.db2.gz CXAWIDUKJXCLHS-HOTGVXAUSA-N -1 3 387.444 0.280 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)CCC1=O ZINC000826018056 608063539 /nfs/dbraw/zinc/06/35/39/608063539.db2.gz QKOUQLBVHFEBFG-LSDHHAIUSA-N -1 3 385.428 0.570 20 0 GCADHM CN1C[C@@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)CCC1=O ZINC000826018056 608063540 /nfs/dbraw/zinc/06/35/40/608063540.db2.gz QKOUQLBVHFEBFG-LSDHHAIUSA-N -1 3 385.428 0.570 20 0 GCADHM O=C(N[C@H]1CCc2ncnn2C1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826432618 608063899 /nfs/dbraw/zinc/06/38/99/608063899.db2.gz GMGVPUQEMPEBJK-LSDHHAIUSA-N -1 3 395.427 0.556 20 0 GCADHM O=C(N[C@H]1CCc2ncnn2C1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826432618 608063900 /nfs/dbraw/zinc/06/39/00/608063900.db2.gz GMGVPUQEMPEBJK-LSDHHAIUSA-N -1 3 395.427 0.556 20 0 GCADHM CCc1nncn1CCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825770557 608064653 /nfs/dbraw/zinc/06/46/53/608064653.db2.gz BEQWVLLRBQFXTP-HNNXBMFYSA-N -1 3 397.443 0.804 20 0 GCADHM CCc1nncn1CCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825770557 608064654 /nfs/dbraw/zinc/06/46/54/608064654.db2.gz BEQWVLLRBQFXTP-HNNXBMFYSA-N -1 3 397.443 0.804 20 0 GCADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CN1CCN(c2ncccc2F)CC1 ZINC000826504280 608066744 /nfs/dbraw/zinc/06/67/44/608066744.db2.gz SAFLGOHVVGEIQC-HNNXBMFYSA-N -1 3 399.430 0.963 20 0 GCADHM C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824777918 608068306 /nfs/dbraw/zinc/06/83/06/608068306.db2.gz LECJMDLZWUJSOQ-SMDDNHRTSA-N -1 3 396.459 0.834 20 0 GCADHM C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824777918 608068307 /nfs/dbraw/zinc/06/83/07/608068307.db2.gz LECJMDLZWUJSOQ-SMDDNHRTSA-N -1 3 396.459 0.834 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C[C@@H](C)O1 ZINC000824968497 608071573 /nfs/dbraw/zinc/07/15/73/608071573.db2.gz PSSHXJJNFPQGEX-CKEIUWERSA-N -1 3 386.456 0.876 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C[C@@H](C)O1 ZINC000824968497 608071574 /nfs/dbraw/zinc/07/15/74/608071574.db2.gz PSSHXJJNFPQGEX-CKEIUWERSA-N -1 3 386.456 0.876 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826432424 608075165 /nfs/dbraw/zinc/07/51/65/608075165.db2.gz AIIUSVCIKYPLQN-SJLPKXTDSA-N -1 3 393.451 0.875 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(OCC(F)F)nc1 ZINC000826395504 608075768 /nfs/dbraw/zinc/07/57/68/608075768.db2.gz FPMAITFTUXKMPR-UHFFFAOYSA-N -1 3 380.315 0.541 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(OCC(F)F)nc1 ZINC000826395504 608075769 /nfs/dbraw/zinc/07/57/69/608075769.db2.gz FPMAITFTUXKMPR-UHFFFAOYSA-N -1 3 380.315 0.541 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CC[C@@H](C)O1 ZINC000824908209 608076199 /nfs/dbraw/zinc/07/61/99/608076199.db2.gz NPQRWYNVDWYDQX-WZRBSPASSA-N -1 3 395.441 0.644 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CC[C@@H](C)O1 ZINC000824908209 608076200 /nfs/dbraw/zinc/07/62/00/608076200.db2.gz NPQRWYNVDWYDQX-WZRBSPASSA-N -1 3 395.441 0.644 20 0 GCADHM O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826432472 608078340 /nfs/dbraw/zinc/07/83/40/608078340.db2.gz BSAIJVUSBCYJHM-LLVKDONJSA-N -1 3 381.824 0.335 20 0 GCADHM O=C(NC[C@@H](O)CN1CCOCC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826432472 608078341 /nfs/dbraw/zinc/07/83/41/608078341.db2.gz BSAIJVUSBCYJHM-LLVKDONJSA-N -1 3 381.824 0.335 20 0 GCADHM NC(=O)NCCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826392561 608079447 /nfs/dbraw/zinc/07/94/47/608079447.db2.gz CUSGFQFMWRNYDK-OAHLLOKOSA-N -1 3 387.444 0.995 20 0 GCADHM NC(=O)NCCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826392561 608079448 /nfs/dbraw/zinc/07/94/48/608079448.db2.gz CUSGFQFMWRNYDK-OAHLLOKOSA-N -1 3 387.444 0.995 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826223059 608081843 /nfs/dbraw/zinc/08/18/43/608081843.db2.gz ZNACRBHFZIWYFO-CQSZACIVSA-N -1 3 379.442 0.591 20 0 GCADHM CS(=O)(=O)CCCC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826223059 608081844 /nfs/dbraw/zinc/08/18/44/608081844.db2.gz ZNACRBHFZIWYFO-CQSZACIVSA-N -1 3 379.442 0.591 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)N1CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C1)CC2 ZINC000826337229 608083231 /nfs/dbraw/zinc/08/32/31/608083231.db2.gz HURAQDRFMTZHRZ-JKSUJKDBSA-N -1 3 394.439 0.929 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)N1CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C1)CC2 ZINC000826337229 608083232 /nfs/dbraw/zinc/08/32/32/608083232.db2.gz HURAQDRFMTZHRZ-JKSUJKDBSA-N -1 3 394.439 0.929 20 0 GCADHM CN(CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1)Cc1ncc[nH]1 ZINC000825892499 608086718 /nfs/dbraw/zinc/08/67/18/608086718.db2.gz MVZXSKUOJOXOAB-UHFFFAOYSA-N -1 3 378.400 0.846 20 0 GCADHM CC(C)(C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC000824059210 608089298 /nfs/dbraw/zinc/08/92/98/608089298.db2.gz OYOKTRGHBNDGNS-CYBMUJFWSA-N -1 3 379.442 0.590 20 0 GCADHM CC(C)(C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC000824059210 608089299 /nfs/dbraw/zinc/08/92/99/608089299.db2.gz OYOKTRGHBNDGNS-CYBMUJFWSA-N -1 3 379.442 0.590 20 0 GCADHM Cc1ccnc2nc(C(=O)N3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)nn21 ZINC000826314916 608089521 /nfs/dbraw/zinc/08/95/21/608089521.db2.gz RNNQGVADATUSDM-AWEZNQCLSA-N -1 3 391.395 0.827 20 0 GCADHM Cc1ccnc2nc(C(=O)N3CCO[C@H](c4cccc(-c5nn[n-]n5)c4)C3)nn21 ZINC000826314916 608089522 /nfs/dbraw/zinc/08/95/22/608089522.db2.gz RNNQGVADATUSDM-AWEZNQCLSA-N -1 3 391.395 0.827 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)N1C(=O)CCC1=O ZINC000824040643 608090043 /nfs/dbraw/zinc/09/00/43/608090043.db2.gz RTVYQAQQSCYDCM-BXUZGUMPSA-N -1 3 384.396 0.304 20 0 GCADHM C[C@H](C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)N1C(=O)CCC1=O ZINC000824040643 608090044 /nfs/dbraw/zinc/09/00/44/608090044.db2.gz RTVYQAQQSCYDCM-BXUZGUMPSA-N -1 3 384.396 0.304 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000823975333 608103021 /nfs/dbraw/zinc/10/30/21/608103021.db2.gz XBJUZZJKDHEZTR-WCQYABFASA-N -1 3 386.412 0.995 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000823975333 608103022 /nfs/dbraw/zinc/10/30/22/608103022.db2.gz XBJUZZJKDHEZTR-WCQYABFASA-N -1 3 386.412 0.995 20 0 GCADHM NC(=O)N[C@@H]1CCN(C(=O)c2occc2COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826392031 608103766 /nfs/dbraw/zinc/10/37/66/608103766.db2.gz LLDYVLNLDHCRQQ-CYBMUJFWSA-N -1 3 397.395 0.922 20 0 GCADHM NC(=O)N[C@@H]1CCN(C(=O)c2occc2COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826392031 608103767 /nfs/dbraw/zinc/10/37/67/608103767.db2.gz LLDYVLNLDHCRQQ-CYBMUJFWSA-N -1 3 397.395 0.922 20 0 GCADHM CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000825152834 608103772 /nfs/dbraw/zinc/10/37/72/608103772.db2.gz CXBNCUADHLOQKW-CABZTGNLSA-N -1 3 397.413 0.028 20 0 GCADHM CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825152834 608103773 /nfs/dbraw/zinc/10/37/73/608103773.db2.gz CXBNCUADHLOQKW-CABZTGNLSA-N -1 3 397.413 0.028 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@H](NC(N)=O)C1 ZINC000824053249 608104348 /nfs/dbraw/zinc/10/43/48/608104348.db2.gz WUZGMJRGLACHKH-IUCAKERBSA-N -1 3 390.473 0.487 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@H](NC(N)=O)C1 ZINC000824053249 608104349 /nfs/dbraw/zinc/10/43/49/608104349.db2.gz WUZGMJRGLACHKH-IUCAKERBSA-N -1 3 390.473 0.487 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@@H](NC(N)=O)C1 ZINC000824047144 608105578 /nfs/dbraw/zinc/10/55/78/608105578.db2.gz YAEIMGBBDLASAT-WCBMZHEXSA-N -1 3 378.824 0.590 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@@H](NC(N)=O)C1 ZINC000824047144 608105579 /nfs/dbraw/zinc/10/55/79/608105579.db2.gz YAEIMGBBDLASAT-WCBMZHEXSA-N -1 3 378.824 0.590 20 0 GCADHM C[C@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824723889 608107561 /nfs/dbraw/zinc/10/75/61/608107561.db2.gz WEQDKKMJXDNUEV-VIFPVBQESA-N -1 3 394.351 0.799 20 0 GCADHM C[C@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824723889 608107562 /nfs/dbraw/zinc/10/75/62/608107562.db2.gz WEQDKKMJXDNUEV-VIFPVBQESA-N -1 3 394.351 0.799 20 0 GCADHM O=C1C[C@@H](N2CCN3C(=O)OCC[C@H]3C2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000826479247 608109875 /nfs/dbraw/zinc/10/98/75/608109875.db2.gz UQDFILWAQLLRNP-UONOGXRCSA-N -1 3 397.395 0.025 20 0 GCADHM O=C1C[C@@H](N2CCN3C(=O)OCC[C@H]3C2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000826479247 608109876 /nfs/dbraw/zinc/10/98/76/608109876.db2.gz UQDFILWAQLLRNP-UONOGXRCSA-N -1 3 397.395 0.025 20 0 GCADHM CC(=O)N1CCOC[C@H]1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000823981974 608111472 /nfs/dbraw/zinc/11/14/72/608111472.db2.gz VBHDKFWQUOFYCS-HNNXBMFYSA-N -1 3 390.469 0.463 20 0 GCADHM CC(=O)N1CCOC[C@H]1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000823981974 608111473 /nfs/dbraw/zinc/11/14/73/608111473.db2.gz VBHDKFWQUOFYCS-HNNXBMFYSA-N -1 3 390.469 0.463 20 0 GCADHM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CN1 ZINC000826478857 608111803 /nfs/dbraw/zinc/11/18/03/608111803.db2.gz KRKAJNNMQJLEJA-HUUCEWRRSA-N -1 3 390.469 0.687 20 0 GCADHM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CN1 ZINC000826478857 608111804 /nfs/dbraw/zinc/11/18/04/608111804.db2.gz KRKAJNNMQJLEJA-HUUCEWRRSA-N -1 3 390.469 0.687 20 0 GCADHM O=C1OCC[C@@H]2CN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)CCN12 ZINC000826483273 608111853 /nfs/dbraw/zinc/11/18/53/608111853.db2.gz HPVDCPNZUPEVEN-CYBMUJFWSA-N -1 3 378.414 0.223 20 0 GCADHM O=C1OCC[C@@H]2CN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)CCN12 ZINC000826483273 608111854 /nfs/dbraw/zinc/11/18/54/608111854.db2.gz HPVDCPNZUPEVEN-CYBMUJFWSA-N -1 3 378.414 0.223 20 0 GCADHM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccccc2-c2nnn[n-]2)CN1 ZINC000826479067 608111912 /nfs/dbraw/zinc/11/19/12/608111912.db2.gz PSOCDPSLLPFAHZ-DGCLKSJQSA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@@H]([C@H]2CCCCN2S(=O)(=O)c2ccccc2-c2nn[n-]n2)CN1 ZINC000826479067 608111913 /nfs/dbraw/zinc/11/19/13/608111913.db2.gz PSOCDPSLLPFAHZ-DGCLKSJQSA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CN1 ZINC000826478830 608111925 /nfs/dbraw/zinc/11/19/25/608111925.db2.gz KHFMIYJCOFCRML-YGRLFVJLSA-N -1 3 394.432 0.685 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN3C(=O)OCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826301430 608112075 /nfs/dbraw/zinc/11/20/75/608112075.db2.gz DYPVIDOKHSURKI-LLVKDONJSA-N -1 3 378.414 0.390 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN3C(=O)OCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826301430 608112076 /nfs/dbraw/zinc/11/20/76/608112076.db2.gz DYPVIDOKHSURKI-LLVKDONJSA-N -1 3 378.414 0.390 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1-c1nnn[n-]1 ZINC000826301887 608112081 /nfs/dbraw/zinc/11/20/81/608112081.db2.gz SQGYQIFLKDTSSQ-QWHCGFSZSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1-c1nn[n-]n1 ZINC000826301887 608112082 /nfs/dbraw/zinc/11/20/82/608112082.db2.gz SQGYQIFLKDTSSQ-QWHCGFSZSA-N -1 3 390.469 0.854 20 0 GCADHM O=C(NCc1noc(C2CC2)n1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826443988 608114411 /nfs/dbraw/zinc/11/44/11/608114411.db2.gz MHJZATFSNBHKMX-UHFFFAOYSA-N -1 3 396.415 0.554 20 0 GCADHM O=C(NCc1noc(C2CC2)n1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826443988 608114412 /nfs/dbraw/zinc/11/44/12/608114412.db2.gz MHJZATFSNBHKMX-UHFFFAOYSA-N -1 3 396.415 0.554 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)[C@@H]2CCCO2)nn1-c1ccccc1 ZINC000826395227 608115817 /nfs/dbraw/zinc/11/58/17/608115817.db2.gz SISVONIVFUXBFW-AWEZNQCLSA-N -1 3 382.428 0.862 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)[C@@H]2CCCO2)nn1-c1ccccc1 ZINC000826395227 608115818 /nfs/dbraw/zinc/11/58/18/608115818.db2.gz SISVONIVFUXBFW-AWEZNQCLSA-N -1 3 382.428 0.862 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1noc(C2CC2)n1 ZINC000825621414 608117357 /nfs/dbraw/zinc/11/73/57/608117357.db2.gz SMTOBSUKANOGEA-UHFFFAOYSA-N -1 3 398.383 0.781 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1noc(C2CC2)n1 ZINC000825621414 608117358 /nfs/dbraw/zinc/11/73/58/608117358.db2.gz SMTOBSUKANOGEA-UHFFFAOYSA-N -1 3 398.383 0.781 20 0 GCADHM C[C@@H]1OCC[C@@H]1NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825021747 608118099 /nfs/dbraw/zinc/11/80/99/608118099.db2.gz UCLWPRFJJWEHGD-CBAPKCEASA-N -1 3 382.327 0.700 20 0 GCADHM C[C@@H]1OCC[C@@H]1NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825021747 608118100 /nfs/dbraw/zinc/11/81/00/608118100.db2.gz UCLWPRFJJWEHGD-CBAPKCEASA-N -1 3 382.327 0.700 20 0 GCADHM COc1cc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)cc(OC)c1O ZINC000826177136 608119710 /nfs/dbraw/zinc/11/97/10/608119710.db2.gz SYHHWUNDTVXVGH-UHFFFAOYSA-N -1 3 385.384 0.826 20 0 GCADHM O=C(COc1ccccc1-c1nnn[n-]1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000826418910 608124542 /nfs/dbraw/zinc/12/45/42/608124542.db2.gz BEOYHMBYHNTVSQ-OAHLLOKOSA-N -1 3 393.407 0.952 20 0 GCADHM O=C(COc1ccccc1-c1nn[n-]n1)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000826418910 608124543 /nfs/dbraw/zinc/12/45/43/608124543.db2.gz BEOYHMBYHNTVSQ-OAHLLOKOSA-N -1 3 393.407 0.952 20 0 GCADHM O=C(NCCCn1ccnn1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826437457 608130070 /nfs/dbraw/zinc/13/00/70/608130070.db2.gz MNEWFNCWFCCLQA-UHFFFAOYSA-N -1 3 396.459 0.376 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)C[S@@](C)=O ZINC000826158260 608130384 /nfs/dbraw/zinc/13/03/84/608130384.db2.gz HUBLVDSOXPOJSL-MZHQLVBMSA-N -1 3 380.474 0.792 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)C[S@@](C)=O ZINC000826158260 608130385 /nfs/dbraw/zinc/13/03/85/608130385.db2.gz HUBLVDSOXPOJSL-MZHQLVBMSA-N -1 3 380.474 0.792 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)C[S@](C)=O ZINC000826158262 608130390 /nfs/dbraw/zinc/13/03/90/608130390.db2.gz HUBLVDSOXPOJSL-RYZVSIALSA-N -1 3 380.474 0.792 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)C[S@](C)=O ZINC000826158262 608130391 /nfs/dbraw/zinc/13/03/91/608130391.db2.gz HUBLVDSOXPOJSL-RYZVSIALSA-N -1 3 380.474 0.792 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)C[S@](C)=O ZINC000826158261 608130513 /nfs/dbraw/zinc/13/05/13/608130513.db2.gz HUBLVDSOXPOJSL-QDXKXIGTSA-N -1 3 380.474 0.792 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)C[S@](C)=O ZINC000826158261 608130514 /nfs/dbraw/zinc/13/05/14/608130514.db2.gz HUBLVDSOXPOJSL-QDXKXIGTSA-N -1 3 380.474 0.792 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NCC[C@@H]1CCOC1 ZINC000826419631 608133387 /nfs/dbraw/zinc/13/33/87/608133387.db2.gz GFZASSRELLWWAW-GFCCVEGCSA-N -1 3 379.442 0.324 20 0 GCADHM O=C(CN1CCOCC2(CCOCC2)C1)Nc1sccc1-c1nnn[n-]1 ZINC000826411035 608133817 /nfs/dbraw/zinc/13/38/17/608133817.db2.gz ISJMUNKKASLHNJ-UHFFFAOYSA-N -1 3 378.458 0.996 20 0 GCADHM O=C(CN1CCOCC2(CCOCC2)C1)Nc1sccc1-c1nn[n-]n1 ZINC000826411035 608133818 /nfs/dbraw/zinc/13/38/18/608133818.db2.gz ISJMUNKKASLHNJ-UHFFFAOYSA-N -1 3 378.458 0.996 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C(N)=O)cn1C ZINC000826161440 608137985 /nfs/dbraw/zinc/13/79/85/608137985.db2.gz IKWXKLGHROBPJT-UHFFFAOYSA-N -1 3 385.384 0.582 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C(N)=O)cn1C ZINC000826161440 608137986 /nfs/dbraw/zinc/13/79/86/608137986.db2.gz IKWXKLGHROBPJT-UHFFFAOYSA-N -1 3 385.384 0.582 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCNC(=O)OC ZINC000826161367 608138815 /nfs/dbraw/zinc/13/88/15/608138815.db2.gz DZJATHNCRLTXCF-UHFFFAOYSA-N -1 3 378.389 0.967 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCNC(=O)OC ZINC000826161367 608138816 /nfs/dbraw/zinc/13/88/16/608138816.db2.gz DZJATHNCRLTXCF-UHFFFAOYSA-N -1 3 378.389 0.967 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826481880 608145203 /nfs/dbraw/zinc/14/52/03/608145203.db2.gz KTMJMBYCKWTBSK-UHFFFAOYSA-N -1 3 389.347 0.045 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000826481880 608145204 /nfs/dbraw/zinc/14/52/04/608145204.db2.gz KTMJMBYCKWTBSK-UHFFFAOYSA-N -1 3 389.347 0.045 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000824098889 608145281 /nfs/dbraw/zinc/14/52/81/608145281.db2.gz DGJYZSLNEUIEFC-CMDGGOBGSA-N -1 3 387.396 0.881 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000824098889 608145282 /nfs/dbraw/zinc/14/52/82/608145282.db2.gz DGJYZSLNEUIEFC-CMDGGOBGSA-N -1 3 387.396 0.881 20 0 GCADHM CC1([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)OCCO1 ZINC000824818703 608146104 /nfs/dbraw/zinc/14/61/04/608146104.db2.gz VGJFDRAKHWPODR-CYBMUJFWSA-N -1 3 386.412 0.807 20 0 GCADHM CC1([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)OCCO1 ZINC000824818703 608146105 /nfs/dbraw/zinc/14/61/05/608146105.db2.gz VGJFDRAKHWPODR-CYBMUJFWSA-N -1 3 386.412 0.807 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826486560 608158723 /nfs/dbraw/zinc/15/87/23/608158723.db2.gz HKXOALCWNZFHGI-GDBMZVCRSA-N -1 3 379.442 0.624 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826486560 608158724 /nfs/dbraw/zinc/15/87/24/608158724.db2.gz HKXOALCWNZFHGI-GDBMZVCRSA-N -1 3 379.442 0.624 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826486291 608158729 /nfs/dbraw/zinc/15/87/29/608158729.db2.gz WUUZJJUJESHQHF-CZUORRHYSA-N -1 3 397.432 0.763 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826486291 608158730 /nfs/dbraw/zinc/15/87/30/608158730.db2.gz WUUZJJUJESHQHF-CZUORRHYSA-N -1 3 397.432 0.763 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476640 608161963 /nfs/dbraw/zinc/16/19/63/608161963.db2.gz QFPCINLAZYGPAG-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476640 608161965 /nfs/dbraw/zinc/16/19/65/608161965.db2.gz QFPCINLAZYGPAG-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476518 608163491 /nfs/dbraw/zinc/16/34/91/608163491.db2.gz MJRQGWAEXLLFQE-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476518 608163492 /nfs/dbraw/zinc/16/34/92/608163492.db2.gz MJRQGWAEXLLFQE-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H]1C[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCO1 ZINC000824882596 608164237 /nfs/dbraw/zinc/16/42/37/608164237.db2.gz CGKDBOOSUVAPJX-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H]1C[C@@H](CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCO1 ZINC000824882596 608164240 /nfs/dbraw/zinc/16/42/40/608164240.db2.gz CGKDBOOSUVAPJX-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825583476 608164766 /nfs/dbraw/zinc/16/47/66/608164766.db2.gz UTEGGOWVXCIPIE-CQSZACIVSA-N -1 3 376.417 0.705 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825583476 608164768 /nfs/dbraw/zinc/16/47/68/608164768.db2.gz UTEGGOWVXCIPIE-CQSZACIVSA-N -1 3 376.417 0.705 20 0 GCADHM Cn1cnn(-c2ccc(NC(=O)COc3ccccc3-c3nnn[n-]3)cc2)c1=O ZINC000826365400 608165059 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O=C(COc1cccc(-c2nnn[n-]2)c1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000826418050 608166748 /nfs/dbraw/zinc/16/67/48/608166748.db2.gz POYNMYCUZDOLQJ-RDJZCZTQSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000826418050 608166750 /nfs/dbraw/zinc/16/67/50/608166750.db2.gz POYNMYCUZDOLQJ-RDJZCZTQSA-N -1 3 383.408 0.846 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000826478507 608167398 /nfs/dbraw/zinc/16/73/98/608167398.db2.gz CNGHAOFVMQLWCV-TZMCWYRMSA-N -1 3 399.459 0.374 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000826478507 608167400 /nfs/dbraw/zinc/16/74/00/608167400.db2.gz CNGHAOFVMQLWCV-TZMCWYRMSA-N -1 3 399.459 0.374 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476962 608167941 /nfs/dbraw/zinc/16/79/41/608167941.db2.gz ZOBIENFIGUYCBF-ZDUSSCGKSA-N -1 3 396.498 0.499 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476962 608167944 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391.435 0.785 20 0 GCADHM O=C(CN1CC(=O)N(Cc2ccccc2)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826410022 608168217 /nfs/dbraw/zinc/16/82/17/608168217.db2.gz YOTDPVHQNBJMKH-UHFFFAOYSA-N -1 3 391.435 0.785 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826175147 608168479 /nfs/dbraw/zinc/16/84/79/608168479.db2.gz UZOFIMPWKFPTRQ-UGSOOPFHSA-N -1 3 389.412 0.708 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826175147 608168481 /nfs/dbraw/zinc/16/84/81/608168481.db2.gz UZOFIMPWKFPTRQ-UGSOOPFHSA-N -1 3 389.412 0.708 20 0 GCADHM C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1cccc(-c2nnn[n-]2)c1 ZINC000824521269 608169149 /nfs/dbraw/zinc/16/91/49/608169149.db2.gz JBMYJUVGNRGKBM-VIFPVBQESA-N -1 3 377.368 0.499 20 0 GCADHM C[C@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1cccc(-c2nn[n-]n2)c1 ZINC000824521269 608169151 /nfs/dbraw/zinc/16/91/51/608169151.db2.gz JBMYJUVGNRGKBM-VIFPVBQESA-N -1 3 377.368 0.499 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)c1cnc2c(c1)NC(=O)CO2 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Cn1cc(C(=O)C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cn1 ZINC000826358277 608190352 /nfs/dbraw/zinc/19/03/52/608190352.db2.gz MYGBFMTXJOBIBX-UHFFFAOYSA-N -1 3 377.368 0.489 20 0 GCADHM CN1CC[C@@H](C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CC1=O ZINC000826022059 608191340 /nfs/dbraw/zinc/19/13/40/608191340.db2.gz HMHGVYYNRKDTRM-CYBMUJFWSA-N -1 3 380.412 0.741 20 0 GCADHM CN1CC[C@@H](C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CC1=O ZINC000826022059 608191343 /nfs/dbraw/zinc/19/13/43/608191343.db2.gz HMHGVYYNRKDTRM-CYBMUJFWSA-N -1 3 380.412 0.741 20 0 GCADHM CCN1C[C@H](C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)CC1=O ZINC000825443521 608191386 /nfs/dbraw/zinc/19/13/86/608191386.db2.gz CZXIFAKUUWBKJE-CYBMUJFWSA-N -1 3 380.412 0.741 20 0 GCADHM CCN1C[C@H](C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)CC1=O ZINC000825443521 608191387 /nfs/dbraw/zinc/19/13/87/608191387.db2.gz CZXIFAKUUWBKJE-CYBMUJFWSA-N -1 3 380.412 0.741 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826277323 608192446 /nfs/dbraw/zinc/19/24/46/608192446.db2.gz QUYOGTFYXADKHS-SCLBCKFNSA-N -1 3 386.412 0.568 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826277323 608192447 /nfs/dbraw/zinc/19/24/47/608192447.db2.gz QUYOGTFYXADKHS-SCLBCKFNSA-N -1 3 386.412 0.568 20 0 GCADHM O=C(NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1ccccn1 ZINC000826435137 608195836 /nfs/dbraw/zinc/19/58/36/608195836.db2.gz HLQWTTQHVARXBE-UHFFFAOYSA-N -1 3 380.412 0.872 20 0 GCADHM O=C(NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1ccccn1 ZINC000826435137 608195838 /nfs/dbraw/zinc/19/58/38/608195838.db2.gz HLQWTTQHVARXBE-UHFFFAOYSA-N -1 3 380.412 0.872 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000825476379 608197348 /nfs/dbraw/zinc/19/73/48/608197348.db2.gz IEESARFAVNPKJH-LBPRGKRZSA-N -1 3 377.474 0.659 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000825476379 608197350 /nfs/dbraw/zinc/19/73/50/608197350.db2.gz IEESARFAVNPKJH-LBPRGKRZSA-N -1 3 377.474 0.659 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@]1(C)CCOC1 ZINC000824633827 608199521 /nfs/dbraw/zinc/19/95/21/608199521.db2.gz QPMQAKLCBLIHMZ-ZBEGNZNMSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@]1(C)CCOC1 ZINC000824633827 608199522 /nfs/dbraw/zinc/19/95/22/608199522.db2.gz QPMQAKLCBLIHMZ-ZBEGNZNMSA-N -1 3 395.441 0.503 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000825476823 608202660 /nfs/dbraw/zinc/20/26/60/608202660.db2.gz XQVMFENANJAWJM-VIFPVBQESA-N -1 3 386.384 0.299 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000825476823 608202662 /nfs/dbraw/zinc/20/26/62/608202662.db2.gz XQVMFENANJAWJM-VIFPVBQESA-N -1 3 386.384 0.299 20 0 GCADHM Cc1nn(C)c(=O)c(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1C ZINC000826333043 608204451 /nfs/dbraw/zinc/20/44/51/608204451.db2.gz RIIPOULRKJLPSM-OAHLLOKOSA-N -1 3 395.423 0.791 20 0 GCADHM Cc1nn(C)c(=O)c(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c1C ZINC000826333043 608204453 /nfs/dbraw/zinc/20/44/53/608204453.db2.gz RIIPOULRKJLPSM-OAHLLOKOSA-N -1 3 395.423 0.791 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826438868 608205283 /nfs/dbraw/zinc/20/52/83/608205283.db2.gz UCZFBHLDSQMRMD-KSSFIOAISA-N -1 3 388.428 0.883 20 0 GCADHM Cc1ocnc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826342435 608208406 /nfs/dbraw/zinc/20/84/06/608208406.db2.gz KDKQDOBUFLTNJA-VIFPVBQESA-N -1 3 391.413 0.146 20 0 GCADHM Cc1ocnc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826342435 608208407 /nfs/dbraw/zinc/20/84/07/608208407.db2.gz KDKQDOBUFLTNJA-VIFPVBQESA-N -1 3 391.413 0.146 20 0 GCADHM Cc1c(C)n(Cc2ccccc2)c(NC(=O)COC(=O)CO)c1-c1nnn[n-]1 ZINC000826233888 608209596 /nfs/dbraw/zinc/20/95/96/608209596.db2.gz YTDMHCNUNGFMQZ-UHFFFAOYSA-N -1 3 384.396 0.807 20 0 GCADHM Cc1c(C)n(Cc2ccccc2)c(NC(=O)COC(=O)CO)c1-c1nn[n-]n1 ZINC000826233888 608209597 /nfs/dbraw/zinc/20/95/97/608209597.db2.gz YTDMHCNUNGFMQZ-UHFFFAOYSA-N -1 3 384.396 0.807 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NC1CCN(C(=O)c2ccco2)CC1 ZINC000826413354 608217420 /nfs/dbraw/zinc/21/74/20/608217420.db2.gz BOYBIQAJZNRBQH-UHFFFAOYSA-N -1 3 396.411 0.688 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NC1CCN(C(=O)c2ccco2)CC1 ZINC000826413354 608217421 /nfs/dbraw/zinc/21/74/21/608217421.db2.gz BOYBIQAJZNRBQH-UHFFFAOYSA-N -1 3 396.411 0.688 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)C2CC(=O)C2)nn1-c1ccc(F)cc1 ZINC000826395215 608219234 /nfs/dbraw/zinc/21/92/34/608219234.db2.gz RWCNQBKAKSQDJF-UHFFFAOYSA-N -1 3 398.402 0.802 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)C2CC(=O)C2)nn1-c1ccc(F)cc1 ZINC000826395215 608219236 /nfs/dbraw/zinc/21/92/36/608219236.db2.gz RWCNQBKAKSQDJF-UHFFFAOYSA-N -1 3 398.402 0.802 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000826434418 608219251 /nfs/dbraw/zinc/21/92/51/608219251.db2.gz MEIBVIZHTVJPPA-AWEZNQCLSA-N -1 3 384.444 0.438 20 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ZINC000826502041 608393607 /nfs/dbraw/zinc/39/36/07/608393607.db2.gz RSEOZVGILGMOLA-UHFFFAOYSA-N -1 3 383.431 0.985 20 0 GCADHM O=c1ccccn1CCN1CCN(Cc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826502041 608393608 /nfs/dbraw/zinc/39/36/08/608393608.db2.gz RSEOZVGILGMOLA-UHFFFAOYSA-N -1 3 383.431 0.985 20 0 GCADHM CCOC(=O)c1ccc(-c2nnn[n-]2)c(SC[C@H]2CC(C(=O)OC)=NO2)n1 ZINC000825558992 608395670 /nfs/dbraw/zinc/39/56/70/608395670.db2.gz AKRMMAFACRTEMT-MRVPVSSYSA-N -1 3 392.397 0.848 20 0 GCADHM CCOC(=O)c1ccc(-c2nn[n-]n2)c(SC[C@H]2CC(C(=O)OC)=NO2)n1 ZINC000825558992 608395672 /nfs/dbraw/zinc/39/56/72/608395672.db2.gz AKRMMAFACRTEMT-MRVPVSSYSA-N -1 3 392.397 0.848 20 0 GCADHM c1ccc(OCCN2CCOCC2)c(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826522947 608407968 /nfs/dbraw/zinc/40/79/68/608407968.db2.gz UPORXXKAOFYKFD-UHFFFAOYSA-N -1 3 382.428 0.980 20 0 GCADHM O=C(CSc1nnc(CO)n1C1CC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826421673 608409171 /nfs/dbraw/zinc/40/91/71/608409171.db2.gz UAFQGFWMIQJCFO-UHFFFAOYSA-N -1 3 386.441 0.694 20 0 GCADHM O=C(CSc1nnc(CO)n1C1CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826421673 608409172 /nfs/dbraw/zinc/40/91/72/608409172.db2.gz UAFQGFWMIQJCFO-UHFFFAOYSA-N -1 3 386.441 0.694 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc(-c2nnn[n-]2)c1 ZINC000824498404 608417999 /nfs/dbraw/zinc/41/79/99/608417999.db2.gz GRKXMHAGLICNRA-NILFDRSVSA-N -1 3 387.444 0.863 20 0 GCADHM C[C@H](NC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc(-c2nn[n-]n2)c1 ZINC000824498404 608418000 /nfs/dbraw/zinc/41/80/00/608418000.db2.gz GRKXMHAGLICNRA-NILFDRSVSA-N -1 3 387.444 0.863 20 0 GCADHM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)O1 ZINC000825839920 608418221 /nfs/dbraw/zinc/41/82/21/608418221.db2.gz LNGAPKKYVVBMTC-JSGCOSHPSA-N -1 3 391.407 0.441 20 0 GCADHM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)O1 ZINC000825839920 608418223 /nfs/dbraw/zinc/41/82/23/608418223.db2.gz LNGAPKKYVVBMTC-JSGCOSHPSA-N -1 3 391.407 0.441 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C[C@H](O)C(F)(F)F ZINC000825946092 608420283 /nfs/dbraw/zinc/42/02/83/608420283.db2.gz IDVQYUUBLHENOM-NSHDSACASA-N -1 3 379.364 0.495 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C[C@H](O)C(F)(F)F ZINC000825946092 608420285 /nfs/dbraw/zinc/42/02/85/608420285.db2.gz IDVQYUUBLHENOM-NSHDSACASA-N -1 3 379.364 0.495 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C[C@@H](O)C(F)(F)F ZINC000825946091 608420539 /nfs/dbraw/zinc/42/05/39/608420539.db2.gz IDVQYUUBLHENOM-LLVKDONJSA-N -1 3 379.364 0.495 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C[C@@H](O)C(F)(F)F ZINC000825946091 608420540 /nfs/dbraw/zinc/42/05/40/608420540.db2.gz IDVQYUUBLHENOM-LLVKDONJSA-N -1 3 379.364 0.495 20 0 GCADHM Cc1nn(C)c(C)c1CCCNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826333562 608421288 /nfs/dbraw/zinc/42/12/88/608421288.db2.gz MJEGVMYNUMFNSG-UHFFFAOYSA-N -1 3 398.475 0.956 20 0 GCADHM Cc1nn(C)c(C)c1CCCNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826333562 608421289 /nfs/dbraw/zinc/42/12/89/608421289.db2.gz MJEGVMYNUMFNSG-UHFFFAOYSA-N -1 3 398.475 0.956 20 0 GCADHM CO[C@@H]1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826145230 608421927 /nfs/dbraw/zinc/42/19/27/608421927.db2.gz CAKDZGCAMXTUGE-DZGCQCFKSA-N -1 3 386.460 0.908 20 0 GCADHM CO[C@@H]1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826145230 608421928 /nfs/dbraw/zinc/42/19/28/608421928.db2.gz CAKDZGCAMXTUGE-DZGCQCFKSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000824745328 608428770 /nfs/dbraw/zinc/42/87/70/608428770.db2.gz RAEKGJVRTLWTPY-HUBLWGQQSA-N -1 3 388.428 0.386 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000824745328 608428772 /nfs/dbraw/zinc/42/87/72/608428772.db2.gz RAEKGJVRTLWTPY-HUBLWGQQSA-N -1 3 388.428 0.386 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000824737653 608429053 /nfs/dbraw/zinc/42/90/53/608429053.db2.gz JTXOJVBQHRJDPB-CQDKDKBSSA-N -1 3 388.428 0.386 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000824745329 608429147 /nfs/dbraw/zinc/42/91/47/608429147.db2.gz RAEKGJVRTLWTPY-SLEUVZQESA-N -1 3 388.428 0.386 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000824745329 608429149 /nfs/dbraw/zinc/42/91/49/608429149.db2.gz RAEKGJVRTLWTPY-SLEUVZQESA-N -1 3 388.428 0.386 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2cccc(-c3nnn[n-]3)c2F)C1=O ZINC000825164964 608434923 /nfs/dbraw/zinc/43/49/23/608434923.db2.gz OFPGEZVJNJKNLR-INIZCTEOSA-N -1 3 376.348 0.770 20 0 GCADHM CC[C@]1(C)NC(=O)N(CC(=O)OCc2cccc(-c3nn[n-]n3)c2F)C1=O ZINC000825164964 608434924 /nfs/dbraw/zinc/43/49/24/608434924.db2.gz OFPGEZVJNJKNLR-INIZCTEOSA-N -1 3 376.348 0.770 20 0 GCADHM NC(=O)[C@@H]1CCCN1C1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC000826389659 608436454 /nfs/dbraw/zinc/43/64/54/608436454.db2.gz DTEFAEATNIGBGK-VIFPVBQESA-N -1 3 382.881 0.895 20 0 GCADHM O=C(CO)N1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(F)c32)CC1 ZINC000826414675 608439582 /nfs/dbraw/zinc/43/95/82/608439582.db2.gz FAYCKKMKYRDDFJ-UHFFFAOYSA-N -1 3 375.339 0.334 20 0 GCADHM O=C(CO)N1CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(F)c32)CC1 ZINC000826414675 608439584 /nfs/dbraw/zinc/43/95/84/608439584.db2.gz FAYCKKMKYRDDFJ-UHFFFAOYSA-N -1 3 375.339 0.334 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826365605 608446790 /nfs/dbraw/zinc/44/67/90/608446790.db2.gz VDLJACCDAFNNLK-NSHDSACASA-N -1 3 396.383 0.799 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826365605 608446791 /nfs/dbraw/zinc/44/67/91/608446791.db2.gz VDLJACCDAFNNLK-NSHDSACASA-N -1 3 396.383 0.799 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826365642 608447025 /nfs/dbraw/zinc/44/70/25/608447025.db2.gz WSRXTJVWEWKMDU-NSHDSACASA-N -1 3 378.393 0.660 20 0 GCADHM Cn1cnnc1[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826365642 608447027 /nfs/dbraw/zinc/44/70/27/608447027.db2.gz WSRXTJVWEWKMDU-NSHDSACASA-N -1 3 378.393 0.660 20 0 GCADHM CS(=O)(=O)CC1(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC1 ZINC000826222110 608448090 /nfs/dbraw/zinc/44/80/90/608448090.db2.gz ISBGMCRNGKCBPB-UHFFFAOYSA-N -1 3 377.474 0.209 20 0 GCADHM CS(=O)(=O)CC1(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC1 ZINC000826222110 608448091 /nfs/dbraw/zinc/44/80/91/608448091.db2.gz ISBGMCRNGKCBPB-UHFFFAOYSA-N -1 3 377.474 0.209 20 0 GCADHM NC(=O)CCC1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826390446 608448297 /nfs/dbraw/zinc/44/82/97/608448297.db2.gz AHDRVVHJOMWIBD-UHFFFAOYSA-N -1 3 382.421 0.672 20 0 GCADHM O=S1(=O)CCC(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CC1 ZINC000826496587 608448822 /nfs/dbraw/zinc/44/88/22/608448822.db2.gz AQSMBKVJRFSXHA-UHFFFAOYSA-N -1 3 377.474 0.209 20 0 GCADHM O=S1(=O)CCC(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CC1 ZINC000826496587 608448825 /nfs/dbraw/zinc/44/88/25/608448825.db2.gz AQSMBKVJRFSXHA-UHFFFAOYSA-N -1 3 377.474 0.209 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cccc(-c2nnn[n-]2)c1F ZINC000824677548 608449495 /nfs/dbraw/zinc/44/94/95/608449495.db2.gz FWVBRBKTVSSBDW-TVQRCGJNSA-N -1 3 379.392 0.961 20 0 GCADHM C[C@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCc1cccc(-c2nn[n-]n2)c1F ZINC000824677548 608449497 /nfs/dbraw/zinc/44/94/97/608449497.db2.gz FWVBRBKTVSSBDW-TVQRCGJNSA-N -1 3 379.392 0.961 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccnc2c(C(N)=O)cnn21 ZINC000826186084 608449523 /nfs/dbraw/zinc/44/95/23/608449523.db2.gz DFHBGKCWZLYUKB-UHFFFAOYSA-N -1 3 379.340 0.269 20 0 GCADHM NC(=O)NC1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000826391998 608450518 /nfs/dbraw/zinc/45/05/18/608450518.db2.gz KKGFTOJAGYMMNY-UHFFFAOYSA-N -1 3 398.427 0.245 20 0 GCADHM NC(=O)NC1(C(=O)N2CCC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000826391998 608450519 /nfs/dbraw/zinc/45/05/19/608450519.db2.gz KKGFTOJAGYMMNY-UHFFFAOYSA-N -1 3 398.427 0.245 20 0 GCADHM C[C@@H](C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)N1CCSCC1 ZINC000824052083 608452233 /nfs/dbraw/zinc/45/22/33/608452233.db2.gz KXOVWDXSTNVASW-GXFFZTMASA-N -1 3 376.442 0.374 20 0 GCADHM C[C@@H](C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)N1CCSCC1 ZINC000824052083 608452234 /nfs/dbraw/zinc/45/22/34/608452234.db2.gz KXOVWDXSTNVASW-GXFFZTMASA-N -1 3 376.442 0.374 20 0 GCADHM C[C@H](C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)N1CCSCC1 ZINC000824052503 608452337 /nfs/dbraw/zinc/45/23/37/608452337.db2.gz OFYBDNHEHONVJD-GFCCVEGCSA-N -1 3 390.469 0.463 20 0 GCADHM C[C@H](C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)N1CCSCC1 ZINC000824052503 608452338 /nfs/dbraw/zinc/45/23/38/608452338.db2.gz OFYBDNHEHONVJD-GFCCVEGCSA-N -1 3 390.469 0.463 20 0 GCADHM C[C@H](C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)N1CCSCC1 ZINC000824051993 608452633 /nfs/dbraw/zinc/45/26/33/608452633.db2.gz KEZUFOHPNNSPEM-LLVKDONJSA-N -1 3 376.442 0.786 20 0 GCADHM C[C@H](C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)N1CCSCC1 ZINC000824051993 608452635 /nfs/dbraw/zinc/45/26/35/608452635.db2.gz KEZUFOHPNNSPEM-LLVKDONJSA-N -1 3 376.442 0.786 20 0 GCADHM CCN1CCOC[C@H]1C(=O)O[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000825465532 608454916 /nfs/dbraw/zinc/45/49/16/608454916.db2.gz MQSQULZHBPOMHH-RYUDHWBXSA-N -1 3 392.441 0.297 20 0 GCADHM CCN1CCOC[C@H]1C(=O)O[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000825465532 608454919 /nfs/dbraw/zinc/45/49/19/608454919.db2.gz MQSQULZHBPOMHH-RYUDHWBXSA-N -1 3 392.441 0.297 20 0 GCADHM CCN1CCOC[C@H]1C(=O)O[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000825465264 608454991 /nfs/dbraw/zinc/45/49/91/608454991.db2.gz JOWHNIFSUMFDSX-KBPBESRZSA-N -1 3 375.385 0.345 20 0 GCADHM CCN1CCOC[C@H]1C(=O)O[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000825465264 608454992 /nfs/dbraw/zinc/45/49/92/608454992.db2.gz JOWHNIFSUMFDSX-KBPBESRZSA-N -1 3 375.385 0.345 20 0 GCADHM CCN1CCOC[C@H]1C(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000825465845 608455042 /nfs/dbraw/zinc/45/50/42/608455042.db2.gz SABVUIAMIBYWIW-KBPBESRZSA-N -1 3 375.385 0.345 20 0 GCADHM 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CCN1C[C@@H](C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)CC1=O ZINC000825443280 608602367 /nfs/dbraw/zinc/60/23/67/608602367.db2.gz BJDBGAWFMBQDBH-NFOMZHRRSA-N -1 3 399.455 0.936 20 0 GCADHM CCN1C[C@@H](C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)CC1=O ZINC000825443280 608602368 /nfs/dbraw/zinc/60/23/68/608602368.db2.gz BJDBGAWFMBQDBH-NFOMZHRRSA-N -1 3 399.455 0.936 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825034747 608602646 /nfs/dbraw/zinc/60/26/46/608602646.db2.gz ONPXOTHIBFVIPD-XGNXJENSSA-N -1 3 387.444 0.983 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825034747 608602647 /nfs/dbraw/zinc/60/26/47/608602647.db2.gz ONPXOTHIBFVIPD-XGNXJENSSA-N -1 3 387.444 0.983 20 0 GCADHM Cn1cc(C(=O)C(=O)NC2CCC(Oc3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000826358331 608603378 /nfs/dbraw/zinc/60/33/78/608603378.db2.gz PJWHMYZUKSREMH-UHFFFAOYSA-N -1 3 396.411 0.684 20 0 GCADHM Cn1cc(C(=O)C(=O)NC2CCC(Oc3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000826358331 608603382 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O=C(CCn1cncn1)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826409648 608607029 /nfs/dbraw/zinc/60/70/29/608607029.db2.gz JEXPVQMBCSXKQK-UHFFFAOYSA-N -1 3 383.416 0.750 20 0 GCADHM CCNC(=O)CNC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825470598 608611588 /nfs/dbraw/zinc/61/15/88/608611588.db2.gz DYLHODYEGNCRBQ-UHFFFAOYSA-N -1 3 388.432 0.387 20 0 GCADHM CCNC(=O)CNC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825470598 608611590 /nfs/dbraw/zinc/61/15/90/608611590.db2.gz DYLHODYEGNCRBQ-UHFFFAOYSA-N -1 3 388.432 0.387 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)C(=O)Nc1ccc2c(c1)COC2 ZINC000826437942 608615865 /nfs/dbraw/zinc/61/58/65/608615865.db2.gz HXIOYMCNEODQIG-UHFFFAOYSA-N -1 3 394.395 0.459 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)C(=O)Nc1ccc2c(c1)COC2 ZINC000826437942 608615867 /nfs/dbraw/zinc/61/58/67/608615867.db2.gz HXIOYMCNEODQIG-UHFFFAOYSA-N -1 3 394.395 0.459 20 0 GCADHM C[S@@](=O)CCNC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826225274 608616000 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0.936 20 0 GCADHM O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)[C@@]1(O)CCSC1 ZINC000826429880 608642633 /nfs/dbraw/zinc/64/26/33/608642633.db2.gz OWKSURMMZRMHEP-QWQCLYJRSA-N -1 3 390.469 0.936 20 0 GCADHM COC[C@](C)(NCC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C(=O)OC ZINC000826149026 608642696 /nfs/dbraw/zinc/64/26/96/608642696.db2.gz XPYJXSAEZGVGSE-HNNXBMFYSA-N -1 3 382.446 0.651 20 0 GCADHM COC[C@](C)(NCC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C(=O)OC ZINC000826149026 608642697 /nfs/dbraw/zinc/64/26/97/608642697.db2.gz XPYJXSAEZGVGSE-HNNXBMFYSA-N -1 3 382.446 0.651 20 0 GCADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000824984829 608689223 /nfs/dbraw/zinc/68/92/23/608689223.db2.gz OANIFBKEOYSFLM-UONOGXRCSA-N -1 3 377.518 0.765 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(Cc2cc(-c3nnn[n-]3)cs2)CC1 ZINC000826487636 608732421 /nfs/dbraw/zinc/73/24/21/608732421.db2.gz VCRZIGJVYTVRGX-UHFFFAOYSA-N -1 3 395.470 0.564 20 0 GCADHM O=S(=O)(Cc1ccon1)N1CCN(Cc2cc(-c3nn[n-]n3)cs2)CC1 ZINC000826487636 608732426 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COCCNS(=O)(=O)c1cccc(CNc2cnccc2-c2nnn[n-]2)c1 ZINC000826160121 608786467 /nfs/dbraw/zinc/78/64/67/608786467.db2.gz FYGCDVSABCBZSP-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM COCCNS(=O)(=O)c1cccc(CNc2cnccc2-c2nn[n-]n2)c1 ZINC000826160121 608786468 /nfs/dbraw/zinc/78/64/68/608786468.db2.gz FYGCDVSABCBZSP-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)COC)cc1-c1nnn[n-]1 ZINC000825522930 608816572 /nfs/dbraw/zinc/81/65/72/608816572.db2.gz LKBXNSHZAVVMSG-SECBINFHSA-N -1 3 391.388 0.525 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)COC)cc1-c1nn[n-]n1 ZINC000825522930 608816573 /nfs/dbraw/zinc/81/65/73/608816573.db2.gz LKBXNSHZAVVMSG-SECBINFHSA-N -1 3 391.388 0.525 20 0 GCADHM COC[C@@H](C)NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826148235 608816647 /nfs/dbraw/zinc/81/66/47/608816647.db2.gz CSOGKWKZMSBQPF-SNVBAGLBSA-N -1 3 398.427 0.759 20 0 GCADHM O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826481629 608824120 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GCADHM COCCN(C(=O)c1cnc(C(=O)OC)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157967 608874165 /nfs/dbraw/zinc/87/41/65/608874165.db2.gz UHAVXVROEDFMHV-UHFFFAOYSA-N -1 3 383.368 0.737 20 0 GCADHM COCCN(C(=O)c1cnc(C(=O)OC)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157967 608874167 /nfs/dbraw/zinc/87/41/67/608874167.db2.gz UHAVXVROEDFMHV-UHFFFAOYSA-N -1 3 383.368 0.737 20 0 GCADHM O=C(c1ccc2nc[nH]c2n1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826473991 608874873 /nfs/dbraw/zinc/87/48/73/608874873.db2.gz WQYPXATVHWCNSB-UHFFFAOYSA-N -1 3 376.384 0.495 20 0 GCADHM O=C(c1ccc2nc[nH]c2n1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826473991 608874875 /nfs/dbraw/zinc/87/48/75/608874875.db2.gz WQYPXATVHWCNSB-UHFFFAOYSA-N -1 3 376.384 0.495 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)n1cncn1 ZINC000824039335 609133985 /nfs/dbraw/zinc/13/39/85/609133985.db2.gz DGRYJKZUMIODCN-RISCZKNCSA-N -1 3 381.400 0.331 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)n1cncn1 ZINC000824039335 609133987 /nfs/dbraw/zinc/13/39/87/609133987.db2.gz DGRYJKZUMIODCN-RISCZKNCSA-N -1 3 381.400 0.331 20 0 GCADHM Cc1cc(OCC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)no1 ZINC000826271653 609134110 /nfs/dbraw/zinc/13/41/10/609134110.db2.gz AWBAWKILQQOGHE-CQSZACIVSA-N -1 3 397.395 0.854 20 0 GCADHM Cc1cc(OCC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)no1 ZINC000826271653 609134112 /nfs/dbraw/zinc/13/41/12/609134112.db2.gz AWBAWKILQQOGHE-CQSZACIVSA-N -1 3 397.395 0.854 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1C ZINC000826259062 609134264 /nfs/dbraw/zinc/13/42/64/609134264.db2.gz GGIHKFAVQCTERF-AWEZNQCLSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1C ZINC000826259062 609134266 /nfs/dbraw/zinc/13/42/66/609134266.db2.gz GGIHKFAVQCTERF-AWEZNQCLSA-N -1 3 380.412 0.834 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cc[n+]([O-])cc1 ZINC000826430932 609135033 /nfs/dbraw/zinc/13/50/33/609135033.db2.gz NPEXQMBEDYFJHU-OAHLLOKOSA-N -1 3 379.380 0.426 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cc[n+]([O-])cc1 ZINC000826430932 609135034 /nfs/dbraw/zinc/13/50/34/609135034.db2.gz NPEXQMBEDYFJHU-OAHLLOKOSA-N -1 3 379.380 0.426 20 0 GCADHM CCOCCOCC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825600104 609135610 /nfs/dbraw/zinc/13/56/10/609135610.db2.gz ZVAKOFGAOMRCBN-OAHLLOKOSA-N -1 3 388.428 0.531 20 0 GCADHM CCOCCOCC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825600104 609135612 /nfs/dbraw/zinc/13/56/12/609135612.db2.gz ZVAKOFGAOMRCBN-OAHLLOKOSA-N -1 3 388.428 0.531 20 0 GCADHM Cc1nccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826330463 609136131 /nfs/dbraw/zinc/13/61/31/609136131.db2.gz VLSROHGHGSMJSF-HNNXBMFYSA-N -1 3 378.396 0.891 20 0 GCADHM Cc1nccc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826330463 609136133 /nfs/dbraw/zinc/13/61/33/609136133.db2.gz VLSROHGHGSMJSF-HNNXBMFYSA-N -1 3 378.396 0.891 20 0 GCADHM Cc1cc(C(=O)O[C@@H]2CCS(=O)(=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260916 609143522 /nfs/dbraw/zinc/14/35/22/609143522.db2.gz JXZMKRZQLYUUIU-CYBMUJFWSA-N -1 3 388.409 0.705 20 0 GCADHM Cc1cc(C(=O)O[C@@H]2CCS(=O)(=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260916 609143523 /nfs/dbraw/zinc/14/35/23/609143523.db2.gz JXZMKRZQLYUUIU-CYBMUJFWSA-N -1 3 388.409 0.705 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(-c3nnn[n-]3)ccc2OC)[C@H](C(=O)OC)C1 ZINC000826133271 609144463 /nfs/dbraw/zinc/14/44/63/609144463.db2.gz LDGWUFWPHFKCRL-OCCSQVGLSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2OC)[C@H](C(=O)OC)C1 ZINC000826133271 609144465 /nfs/dbraw/zinc/14/44/65/609144465.db2.gz LDGWUFWPHFKCRL-OCCSQVGLSA-N -1 3 389.412 0.802 20 0 GCADHM COC(=O)[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111670 609144703 /nfs/dbraw/zinc/14/47/03/609144703.db2.gz JOMIEKGMZNZIPH-CABCVRRESA-N -1 3 389.412 0.593 20 0 GCADHM COC(=O)[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111670 609144704 /nfs/dbraw/zinc/14/47/04/609144704.db2.gz JOMIEKGMZNZIPH-CABCVRRESA-N -1 3 389.412 0.593 20 0 GCADHM CCN(CC)C(=O)CNC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825405814 609149788 /nfs/dbraw/zinc/14/97/88/609149788.db2.gz GTXUVAMJTMSSCQ-UHFFFAOYSA-N -1 3 382.428 0.959 20 0 GCADHM CCN(CC)C(=O)CNC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825405814 609149790 /nfs/dbraw/zinc/14/97/90/609149790.db2.gz GTXUVAMJTMSSCQ-UHFFFAOYSA-N -1 3 382.428 0.959 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ccn(C)n1 ZINC000824641180 609154355 /nfs/dbraw/zinc/15/43/55/609154355.db2.gz SRWVMECTFTZFLG-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ccn(C)n1 ZINC000824641180 609154357 /nfs/dbraw/zinc/15/43/57/609154357.db2.gz SRWVMECTFTZFLG-JTQLQIEISA-N -1 3 391.413 0.010 20 0 GCADHM Cn1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826363619 609157624 /nfs/dbraw/zinc/15/76/24/609157624.db2.gz VDGOKZRUBRFEOO-CYBMUJFWSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826363619 609157625 /nfs/dbraw/zinc/15/76/25/609157625.db2.gz VDGOKZRUBRFEOO-CYBMUJFWSA-N -1 3 381.400 0.917 20 0 GCADHM COC[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(-c4nnn[n-]4)c3)n2)CCO1 ZINC000826153222 609157962 /nfs/dbraw/zinc/15/79/62/609157962.db2.gz FVRRSNGPKPDTTM-OAHLLOKOSA-N -1 3 383.412 0.848 20 0 GCADHM COC[C@H]1CN(C(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)CCO1 ZINC000826153222 609157964 /nfs/dbraw/zinc/15/79/64/609157964.db2.gz FVRRSNGPKPDTTM-OAHLLOKOSA-N -1 3 383.412 0.848 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C[C@H](C)O1 ZINC000736285144 609158445 /nfs/dbraw/zinc/15/84/45/609158445.db2.gz ILYBFDNIYZTOEF-IUUKEHGRSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C[C@H](C)O1 ZINC000736285144 609158446 /nfs/dbraw/zinc/15/84/46/609158446.db2.gz ILYBFDNIYZTOEF-IUUKEHGRSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@H](CNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21)S(N)(=O)=O ZINC000824427038 609165605 /nfs/dbraw/zinc/16/56/05/609165605.db2.gz KEFUDKDSAOZBLR-SSDOTTSWSA-N -1 3 399.383 0.527 20 0 GCADHM C[C@H](CNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21)S(N)(=O)=O ZINC000824427038 609165607 /nfs/dbraw/zinc/16/56/07/609165607.db2.gz KEFUDKDSAOZBLR-SSDOTTSWSA-N -1 3 399.383 0.527 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NN1CCc2ccccc2C1=O ZINC000826174973 609166445 /nfs/dbraw/zinc/16/64/45/609166445.db2.gz OSKGFYIVUGWKGG-UHFFFAOYSA-N -1 3 394.391 0.984 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NN1CCc2ccccc2C1=O ZINC000826174973 609166447 /nfs/dbraw/zinc/16/64/47/609166447.db2.gz OSKGFYIVUGWKGG-UHFFFAOYSA-N -1 3 394.391 0.984 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@]2(C)CCCO2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560953 609169278 /nfs/dbraw/zinc/16/92/78/609169278.db2.gz YDABDXOVYBLMIR-QGZVFWFLSA-N -1 3 392.416 0.999 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@]2(C)CCCO2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560953 609169280 /nfs/dbraw/zinc/16/92/80/609169280.db2.gz YDABDXOVYBLMIR-QGZVFWFLSA-N -1 3 392.416 0.999 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCOC2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560187 609169352 /nfs/dbraw/zinc/16/93/52/609169352.db2.gz OCYISTLCUGUEHL-SNVBAGLBSA-N -1 3 378.389 0.466 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCOC2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560187 609169354 /nfs/dbraw/zinc/16/93/54/609169354.db2.gz OCYISTLCUGUEHL-SNVBAGLBSA-N -1 3 378.389 0.466 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCCOC2)c(-c2nnn[n-]2)cn1CCOC ZINC000825560558 609169533 /nfs/dbraw/zinc/16/95/33/609169533.db2.gz RTWPNOKNZUUSMN-LLVKDONJSA-N -1 3 392.416 0.856 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@@H]2CCCOC2)c(-c2nn[n-]n2)cn1CCOC ZINC000825560558 609169535 /nfs/dbraw/zinc/16/95/35/609169535.db2.gz RTWPNOKNZUUSMN-LLVKDONJSA-N -1 3 392.416 0.856 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCO[C@@H]2C)c(-c2nnn[n-]2)cn1CCOC ZINC000825560705 609171798 /nfs/dbraw/zinc/17/17/98/609171798.db2.gz VVMAADFEHQYCKC-MNOVXSKESA-N -1 3 392.416 0.855 20 0 GCADHM CCOC(=O)c1c(NC(=O)[C@H]2CCO[C@@H]2C)c(-c2nn[n-]n2)cn1CCOC ZINC000825560705 609171800 /nfs/dbraw/zinc/17/18/00/609171800.db2.gz VVMAADFEHQYCKC-MNOVXSKESA-N -1 3 392.416 0.855 20 0 GCADHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCNC(=O)c1ccn[nH]1 ZINC000826406249 609176252 /nfs/dbraw/zinc/17/62/52/609176252.db2.gz OCBJXOSAXPZIRT-UHFFFAOYSA-N -1 3 398.427 0.685 20 0 GCADHM O=C(c1cccc2nccn21)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826474586 609177110 /nfs/dbraw/zinc/17/71/10/609177110.db2.gz WSHKDEDPRYPXHL-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM O=C(c1cccc2nccn21)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826474586 609177111 /nfs/dbraw/zinc/17/71/11/609177111.db2.gz WSHKDEDPRYPXHL-UHFFFAOYSA-N -1 3 375.396 0.872 20 0 GCADHM CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825034965 609178710 /nfs/dbraw/zinc/17/87/10/609178710.db2.gz VCCDFQUQAKYZLP-BXUZGUMPSA-N -1 3 385.428 0.393 20 0 GCADHM CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825034965 609178712 /nfs/dbraw/zinc/17/87/12/609178712.db2.gz VCCDFQUQAKYZLP-BXUZGUMPSA-N -1 3 385.428 0.393 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c[nH]1 ZINC000826256337 609178725 /nfs/dbraw/zinc/17/87/25/609178725.db2.gz DOWQTGBLWCANCP-OAHLLOKOSA-N -1 3 393.407 0.789 20 0 GCADHM Cc1cc(=O)c(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c[nH]1 ZINC000826256337 609178727 /nfs/dbraw/zinc/17/87/27/609178727.db2.gz DOWQTGBLWCANCP-OAHLLOKOSA-N -1 3 393.407 0.789 20 0 GCADHM CC1(C)CN(S(=O)(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824808734 609180391 /nfs/dbraw/zinc/18/03/91/609180391.db2.gz XYXTTYFOIAAKRZ-UHFFFAOYSA-N -1 3 382.446 0.191 20 0 GCADHM Cc1nc([C@H]2COCCN2C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000826325106 609180843 /nfs/dbraw/zinc/18/08/43/609180843.db2.gz NRQJQMSEOQTIIS-CYBMUJFWSA-N -1 3 388.363 0.980 20 0 GCADHM Cc1nc([C@H]2COCCN2C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000826325106 609180845 /nfs/dbraw/zinc/18/08/45/609180845.db2.gz NRQJQMSEOQTIIS-CYBMUJFWSA-N -1 3 388.363 0.980 20 0 GCADHM CCOCCOC1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000825599706 609183483 /nfs/dbraw/zinc/18/34/83/609183483.db2.gz QBZTWFUANGESLG-UHFFFAOYSA-N -1 3 387.849 0.946 20 0 GCADHM CCOCCOC1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000825599706 609183484 /nfs/dbraw/zinc/18/34/84/609183484.db2.gz QBZTWFUANGESLG-UHFFFAOYSA-N -1 3 387.849 0.946 20 0 GCADHM O=C(c1ccco1)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826475233 609184168 /nfs/dbraw/zinc/18/41/68/609184168.db2.gz ZGTRGEDLBDYROM-OAHLLOKOSA-N -1 3 382.380 0.478 20 0 GCADHM O=C(c1ccco1)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826475233 609184171 /nfs/dbraw/zinc/18/41/71/609184171.db2.gz ZGTRGEDLBDYROM-OAHLLOKOSA-N -1 3 382.380 0.478 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)NC[C@H]1COC2(CCOCC2)O1 ZINC000826440567 609185969 /nfs/dbraw/zinc/18/59/69/609185969.db2.gz RMQACTMVPJYEDH-ZDUSSCGKSA-N -1 3 392.391 0.727 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)NC[C@H]1COC2(CCOCC2)O1 ZINC000826440567 609185971 /nfs/dbraw/zinc/18/59/71/609185971.db2.gz RMQACTMVPJYEDH-ZDUSSCGKSA-N -1 3 392.391 0.727 20 0 GCADHM O=C(c1ccccc1)N1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474136 609186060 /nfs/dbraw/zinc/18/60/60/609186060.db2.gz BPQUGUPQTXEGCE-QGZVFWFLSA-N -1 3 392.419 0.885 20 0 GCADHM O=C(c1ccccc1)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474136 609186061 /nfs/dbraw/zinc/18/60/61/609186061.db2.gz BPQUGUPQTXEGCE-QGZVFWFLSA-N -1 3 392.419 0.885 20 0 GCADHM Cc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1S(N)(=O)=O ZINC000826290776 609186700 /nfs/dbraw/zinc/18/67/00/609186700.db2.gz ZFIOMVFNABHMAP-CQSZACIVSA-N -1 3 388.409 0.495 20 0 GCADHM Cc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1S(N)(=O)=O ZINC000826290776 609186701 /nfs/dbraw/zinc/18/67/01/609186701.db2.gz ZFIOMVFNABHMAP-CQSZACIVSA-N -1 3 388.409 0.495 20 0 GCADHM C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000824976123 609188865 /nfs/dbraw/zinc/18/88/65/609188865.db2.gz NDSAVOURGRTOFA-ZENOOKHLSA-N -1 3 388.472 0.904 20 0 GCADHM O=C(NCc1ccc(-n2ccnc2)nc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826441649 609194245 /nfs/dbraw/zinc/19/42/45/609194245.db2.gz NXJPFFMPZMEEDE-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1ccc(-n2ccnc2)nc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826441649 609194247 /nfs/dbraw/zinc/19/42/47/609194247.db2.gz NXJPFFMPZMEEDE-MRXNPFEDSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCCNC(=O)c1ccn[nH]1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826437364 609194385 /nfs/dbraw/zinc/19/43/85/609194385.db2.gz IBHAWQPNLJRERM-UHFFFAOYSA-N -1 3 375.780 0.795 20 0 GCADHM O=C(NCCNC(=O)c1ccn[nH]1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826437364 609194386 /nfs/dbraw/zinc/19/43/86/609194386.db2.gz IBHAWQPNLJRERM-UHFFFAOYSA-N -1 3 375.780 0.795 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826437552 609196193 /nfs/dbraw/zinc/19/61/93/609196193.db2.gz QDJRSWMQSCVXIA-UHFFFAOYSA-N -1 3 395.832 0.557 20 0 GCADHM O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826437552 609196194 /nfs/dbraw/zinc/19/61/94/609196194.db2.gz QDJRSWMQSCVXIA-UHFFFAOYSA-N -1 3 395.832 0.557 20 0 GCADHM CCNC(=O)COc1ccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1OC ZINC000825470383 609196499 /nfs/dbraw/zinc/19/64/99/609196499.db2.gz CVLSDEPOQWVPKX-UHFFFAOYSA-N -1 3 399.411 0.648 20 0 GCADHM CCNC(=O)COc1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1OC ZINC000825470383 609196501 /nfs/dbraw/zinc/19/65/01/609196501.db2.gz CVLSDEPOQWVPKX-UHFFFAOYSA-N -1 3 399.411 0.648 20 0 GCADHM CN(C)C(=O)c1cccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825849663 609196714 /nfs/dbraw/zinc/19/67/14/609196714.db2.gz LKYOLBHTBFEGSD-INIZCTEOSA-N -1 3 380.408 0.918 20 0 GCADHM CN(C)C(=O)c1cccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825849663 609196715 /nfs/dbraw/zinc/19/67/15/609196715.db2.gz LKYOLBHTBFEGSD-INIZCTEOSA-N -1 3 380.408 0.918 20 0 GCADHM NC(=O)c1ccc(CN2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826393333 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O=C(Cc1ccccc1F)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000826423905 609202813 /nfs/dbraw/zinc/20/28/13/609202813.db2.gz MGBOVYHDRGXJIW-UHFFFAOYSA-N -1 3 383.387 0.861 20 0 GCADHM CN(C[C@H](O)C1CC1)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825902193 609202888 /nfs/dbraw/zinc/20/28/88/609202888.db2.gz QIECXJWLMGCFSN-HOTGVXAUSA-N -1 3 399.455 0.774 20 0 GCADHM CN(C[C@H](O)C1CC1)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825902193 609202889 /nfs/dbraw/zinc/20/28/89/609202889.db2.gz QIECXJWLMGCFSN-HOTGVXAUSA-N -1 3 399.455 0.774 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@@H](CO)C1 ZINC000826431023 609202908 /nfs/dbraw/zinc/20/29/08/609202908.db2.gz PWXRKWTUHDCLIP-CJNGLKHVSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@@H](CO)C1 ZINC000826431023 609202909 /nfs/dbraw/zinc/20/29/09/609202909.db2.gz PWXRKWTUHDCLIP-CJNGLKHVSA-N -1 3 399.455 0.776 20 0 GCADHM CN(C[C@@H](O)C1CC1)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825902195 609202920 /nfs/dbraw/zinc/20/29/20/609202920.db2.gz QIECXJWLMGCFSN-JKSUJKDBSA-N -1 3 399.455 0.774 20 0 GCADHM CN(C[C@@H](O)C1CC1)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825902195 609202921 /nfs/dbraw/zinc/20/29/21/609202921.db2.gz QIECXJWLMGCFSN-JKSUJKDBSA-N -1 3 399.455 0.774 20 0 GCADHM C[C@@]1(O)CCCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000824838379 609203639 /nfs/dbraw/zinc/20/36/39/609203639.db2.gz ORFGFZJVBIQOQE-HNAYVOBHSA-N -1 3 399.455 0.919 20 0 GCADHM C[C@@]1(O)CCCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000824838379 609203641 /nfs/dbraw/zinc/20/36/41/609203641.db2.gz ORFGFZJVBIQOQE-HNAYVOBHSA-N -1 3 399.455 0.919 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000826478642 609203872 /nfs/dbraw/zinc/20/38/72/609203872.db2.gz HFJIQACPXOJNIC-AEFFLSMTSA-N -1 3 392.419 0.990 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000826478642 609203874 /nfs/dbraw/zinc/20/38/74/609203874.db2.gz HFJIQACPXOJNIC-AEFFLSMTSA-N -1 3 392.419 0.990 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N(CCO)CC1CC1 ZINC000826429957 609205057 /nfs/dbraw/zinc/20/50/57/609205057.db2.gz QMCABMIMVQNHDY-INIZCTEOSA-N -1 3 399.455 0.776 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N(CCO)CC1CC1 ZINC000826429957 609205059 /nfs/dbraw/zinc/20/50/59/609205059.db2.gz QMCABMIMVQNHDY-INIZCTEOSA-N -1 3 399.455 0.776 20 0 GCADHM CC(C)(CO)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824162832 609205326 /nfs/dbraw/zinc/20/53/26/609205326.db2.gz QFAZCJLSOBYVRX-CQSZACIVSA-N -1 3 387.444 0.680 20 0 GCADHM CC(C)(CO)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824162832 609205327 /nfs/dbraw/zinc/20/53/27/609205327.db2.gz QFAZCJLSOBYVRX-CQSZACIVSA-N -1 3 387.444 0.680 20 0 GCADHM Cc1ccc(OCC(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826292422 609205523 /nfs/dbraw/zinc/20/55/23/609205523.db2.gz UQKRPVHGMXTBPV-UHFFFAOYSA-N -1 3 395.423 0.867 20 0 GCADHM Cc1ccc(OCC(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826292422 609205525 /nfs/dbraw/zinc/20/55/25/609205525.db2.gz UQKRPVHGMXTBPV-UHFFFAOYSA-N -1 3 395.423 0.867 20 0 GCADHM O=C(NC[C@@H]1CCC[C@H]1O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826434513 609206613 /nfs/dbraw/zinc/20/66/13/609206613.db2.gz OVPOZILRZIBAHK-CWRNSKLLSA-N -1 3 399.455 0.822 20 0 GCADHM O=C(NC[C@@H]1CCC[C@H]1O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826434513 609206614 /nfs/dbraw/zinc/20/66/14/609206614.db2.gz OVPOZILRZIBAHK-CWRNSKLLSA-N -1 3 399.455 0.822 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824040433 609207319 /nfs/dbraw/zinc/20/73/19/609207319.db2.gz PRCYOZWUSPFUJV-GFCCVEGCSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824040433 609207321 /nfs/dbraw/zinc/20/73/21/609207321.db2.gz PRCYOZWUSPFUJV-GFCCVEGCSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000824513918 609207938 /nfs/dbraw/zinc/20/79/38/609207938.db2.gz JYHDESDGIBNRQH-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000824513918 609207939 /nfs/dbraw/zinc/20/79/39/609207939.db2.gz JYHDESDGIBNRQH-JTQLQIEISA-N -1 3 389.441 0.936 20 0 GCADHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824770407 609208010 /nfs/dbraw/zinc/20/80/10/609208010.db2.gz KASHEFNZYAEEBT-VIFPVBQESA-N -1 3 375.414 0.675 20 0 GCADHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824770407 609208011 /nfs/dbraw/zinc/20/80/11/609208011.db2.gz KASHEFNZYAEEBT-VIFPVBQESA-N -1 3 375.414 0.675 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)NC1CCCCC1 ZINC000826410982 609208757 /nfs/dbraw/zinc/20/87/57/609208757.db2.gz GNEZLXRRGXLWRG-UHFFFAOYSA-N -1 3 386.460 0.402 20 0 GCADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)NC1CCCCC1 ZINC000826410982 609208758 /nfs/dbraw/zinc/20/87/58/609208758.db2.gz GNEZLXRRGXLWRG-UHFFFAOYSA-N -1 3 386.460 0.402 20 0 GCADHM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435524 609209772 /nfs/dbraw/zinc/20/97/72/609209772.db2.gz QGJWYNWHTKMYLB-ZWNOBZJWSA-N -1 3 384.362 0.901 20 0 GCADHM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435524 609209773 /nfs/dbraw/zinc/20/97/73/609209773.db2.gz QGJWYNWHTKMYLB-ZWNOBZJWSA-N -1 3 384.362 0.901 20 0 GCADHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1 ZINC000824470323 609210032 /nfs/dbraw/zinc/21/00/32/609210032.db2.gz HKGRMTFKAOPMHI-MLGOLLRUSA-N -1 3 380.408 0.721 20 0 GCADHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1 ZINC000824470323 609210034 /nfs/dbraw/zinc/21/00/34/609210034.db2.gz HKGRMTFKAOPMHI-MLGOLLRUSA-N -1 3 380.408 0.721 20 0 GCADHM O=C(NCCN1C(=O)c2ccccc2C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826437586 609211388 /nfs/dbraw/zinc/21/13/88/609211388.db2.gz SFKXOMYXSIUEGU-HNNXBMFYSA-N -1 3 392.375 0.313 20 0 GCADHM O=C(NCCN1C(=O)c2ccccc2C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826437586 609211390 /nfs/dbraw/zinc/21/13/90/609211390.db2.gz SFKXOMYXSIUEGU-HNNXBMFYSA-N -1 3 392.375 0.313 20 0 GCADHM O=C(NCCNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000826437258 609211621 /nfs/dbraw/zinc/21/16/21/609211621.db2.gz COKYVPGSJMENBC-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM O=C(NCCNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000826437258 609211623 /nfs/dbraw/zinc/21/16/23/609211623.db2.gz COKYVPGSJMENBC-HNNXBMFYSA-N -1 3 384.371 0.585 20 0 GCADHM CN(c1ccc(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1)S(C)(=O)=O ZINC000826004132 609211928 /nfs/dbraw/zinc/21/19/28/609211928.db2.gz KHGHQQLWUVIUEL-UHFFFAOYSA-N -1 3 375.414 0.521 20 0 GCADHM CN(c1ccc(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1)S(C)(=O)=O ZINC000826004132 609211930 /nfs/dbraw/zinc/21/19/30/609211930.db2.gz KHGHQQLWUVIUEL-UHFFFAOYSA-N -1 3 375.414 0.521 20 0 GCADHM NC(=O)[C@H](CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccc(F)cc1 ZINC000826389316 609212740 /nfs/dbraw/zinc/21/27/40/609212740.db2.gz VIRYTGRKSJXVFZ-GOEBONIOSA-N -1 3 398.398 0.500 20 0 GCADHM NC(=O)[C@H](CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)cc1 ZINC000826389316 609212741 /nfs/dbraw/zinc/21/27/41/609212741.db2.gz VIRYTGRKSJXVFZ-GOEBONIOSA-N -1 3 398.398 0.500 20 0 GCADHM C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824412835 609213934 /nfs/dbraw/zinc/21/39/34/609213934.db2.gz GTCZPZIKWZHOCB-CYBMUJFWSA-N -1 3 381.444 0.530 20 0 GCADHM O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443474 609214234 /nfs/dbraw/zinc/21/42/34/609214234.db2.gz QQJWILWKHINFLB-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1ccnc(-n2ccnc2)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443474 609214235 /nfs/dbraw/zinc/21/42/35/609214235.db2.gz QQJWILWKHINFLB-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431620 609215518 /nfs/dbraw/zinc/21/55/18/609215518.db2.gz GMJJZKPIXMUXHZ-IRXDYDNUSA-N -1 3 392.419 0.817 20 0 GCADHM O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431620 609215519 /nfs/dbraw/zinc/21/55/19/609215519.db2.gz GMJJZKPIXMUXHZ-IRXDYDNUSA-N -1 3 392.419 0.817 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825398909 609216066 /nfs/dbraw/zinc/21/60/66/609216066.db2.gz AVPPZESKYGLISY-UONOGXRCSA-N -1 3 390.469 0.670 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825398909 609216068 /nfs/dbraw/zinc/21/60/68/609216068.db2.gz AVPPZESKYGLISY-UONOGXRCSA-N -1 3 390.469 0.670 20 0 GCADHM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824285073 609216090 /nfs/dbraw/zinc/21/60/90/609216090.db2.gz WFSKYCUOWNBCIM-KGLIPLIRSA-N -1 3 390.469 0.668 20 0 GCADHM CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824285073 609216092 /nfs/dbraw/zinc/21/60/92/609216092.db2.gz WFSKYCUOWNBCIM-KGLIPLIRSA-N -1 3 390.469 0.668 20 0 GCADHM Cn1c2ccc(NC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)cc2n(C)c1=O ZINC000826354810 609216528 /nfs/dbraw/zinc/21/65/28/609216528.db2.gz WAJFYDOSGJRAML-HNNXBMFYSA-N -1 3 379.380 0.729 20 0 GCADHM Cn1c2ccc(NC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)cc2n(C)c1=O ZINC000826354810 609216530 /nfs/dbraw/zinc/21/65/30/609216530.db2.gz WAJFYDOSGJRAML-HNNXBMFYSA-N -1 3 379.380 0.729 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000826398771 609217191 /nfs/dbraw/zinc/21/71/91/609217191.db2.gz FSXVOSLZECFFPQ-UONOGXRCSA-N -1 3 388.453 0.424 20 0 GCADHM O=C([C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000826398771 609217193 /nfs/dbraw/zinc/21/71/93/609217193.db2.gz FSXVOSLZECFFPQ-UONOGXRCSA-N -1 3 388.453 0.424 20 0 GCADHM CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824266591 609217476 /nfs/dbraw/zinc/21/74/76/609217476.db2.gz NNYBYNGZAZBIRD-ZIAGYGMSSA-N -1 3 390.469 0.574 20 0 GCADHM CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824266591 609217478 /nfs/dbraw/zinc/21/74/78/609217478.db2.gz NNYBYNGZAZBIRD-ZIAGYGMSSA-N -1 3 390.469 0.574 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824093748 609219026 /nfs/dbraw/zinc/21/90/26/609219026.db2.gz MNFXMGHZKKXITL-STQMWFEESA-N -1 3 390.469 0.716 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824093748 609219028 /nfs/dbraw/zinc/21/90/28/609219028.db2.gz MNFXMGHZKKXITL-STQMWFEESA-N -1 3 390.469 0.716 20 0 GCADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000826469696 609219092 /nfs/dbraw/zinc/21/90/92/609219092.db2.gz OPMVDOBJYYBRRF-UHFFFAOYSA-N -1 3 383.416 0.803 20 0 GCADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000826469696 609219093 /nfs/dbraw/zinc/21/90/93/609219093.db2.gz OPMVDOBJYYBRRF-UHFFFAOYSA-N -1 3 383.416 0.803 20 0 GCADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCc2ccccc2C1 ZINC000826433082 609220147 /nfs/dbraw/zinc/22/01/47/609220147.db2.gz TUXWZOMILCILRA-SFHVURJKSA-N -1 3 392.419 0.601 20 0 GCADHM O=C(CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc2C1 ZINC000826433082 609220149 /nfs/dbraw/zinc/22/01/49/609220149.db2.gz TUXWZOMILCILRA-SFHVURJKSA-N -1 3 392.419 0.601 20 0 GCADHM CCOC(=O)N(C)C1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825517831 609221011 /nfs/dbraw/zinc/22/10/11/609221011.db2.gz OABQGJCPPHPPIZ-OAHLLOKOSA-N -1 3 388.428 0.979 20 0 GCADHM CCOC(=O)N(C)C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825517831 609221014 /nfs/dbraw/zinc/22/10/14/609221014.db2.gz OABQGJCPPHPPIZ-OAHLLOKOSA-N -1 3 388.428 0.979 20 0 GCADHM Cc1ccc(N2CCCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)nn1 ZINC000826290341 609225397 /nfs/dbraw/zinc/22/53/97/609225397.db2.gz JWDNSEDMVVHMHL-QGZVFWFLSA-N -1 3 394.439 0.737 20 0 GCADHM Cc1ccc(N2CCCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000826290341 609225398 /nfs/dbraw/zinc/22/53/98/609225398.db2.gz JWDNSEDMVVHMHL-QGZVFWFLSA-N -1 3 394.439 0.737 20 0 GCADHM O=C(NCC[S@](=O)Cc1ccccc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439566 609227842 /nfs/dbraw/zinc/22/78/42/609227842.db2.gz ZYXZCLJRCLMVBN-JWIGPWBQSA-N -1 3 385.449 0.965 20 0 GCADHM O=C(NCC[S@](=O)Cc1ccccc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439566 609227843 /nfs/dbraw/zinc/22/78/43/609227843.db2.gz ZYXZCLJRCLMVBN-JWIGPWBQSA-N -1 3 385.449 0.965 20 0 GCADHM Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000826265363 609228496 /nfs/dbraw/zinc/22/84/96/609228496.db2.gz WIXAXGQRQARQKR-IRXDYDNUSA-N -1 3 397.439 0.641 20 0 GCADHM Cc1cc(C)n(C[C@@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000826265363 609228498 /nfs/dbraw/zinc/22/84/98/609228498.db2.gz WIXAXGQRQARQKR-IRXDYDNUSA-N -1 3 397.439 0.641 20 0 GCADHM Cc1nc(CN2CCCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000826325819 609228614 /nfs/dbraw/zinc/22/86/14/609228614.db2.gz MZUZIJOCGVHQFD-INIZCTEOSA-N -1 3 398.427 0.326 20 0 GCADHM Cc1nc(CN2CCCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000826325819 609228616 /nfs/dbraw/zinc/22/86/16/609228616.db2.gz MZUZIJOCGVHQFD-INIZCTEOSA-N -1 3 398.427 0.326 20 0 GCADHM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431253 609229140 /nfs/dbraw/zinc/22/91/40/609229140.db2.gz WJKANHFJKAKZNC-WDEREUQCSA-N -1 3 384.318 0.180 20 0 GCADHM O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431253 609229141 /nfs/dbraw/zinc/22/91/41/609229141.db2.gz WJKANHFJKAKZNC-WDEREUQCSA-N -1 3 384.318 0.180 20 0 GCADHM CN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000825812693 609229774 /nfs/dbraw/zinc/22/97/74/609229774.db2.gz RGFTZZXSMWAROM-NEPJUHHUSA-N -1 3 398.345 0.522 20 0 GCADHM CN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000825812693 609229776 /nfs/dbraw/zinc/22/97/76/609229776.db2.gz RGFTZZXSMWAROM-NEPJUHHUSA-N -1 3 398.345 0.522 20 0 GCADHM CCOC(=O)c1csc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825570924 609229794 /nfs/dbraw/zinc/22/97/94/609229794.db2.gz OLBNQSSHRCZWLB-CYBMUJFWSA-N -1 3 388.409 0.850 20 0 GCADHM CCOC(=O)c1csc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825570924 609229796 /nfs/dbraw/zinc/22/97/96/609229796.db2.gz OLBNQSSHRCZWLB-CYBMUJFWSA-N -1 3 388.409 0.850 20 0 GCADHM CN(C[C@@H]1CCCN1c1cccnn1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825908819 609233815 /nfs/dbraw/zinc/23/38/15/609233815.db2.gz MPXWCRHRHTYOCD-RDJZCZTQSA-N -1 3 394.439 0.818 20 0 GCADHM CN(C[C@@H]1CCCN1c1cccnn1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825908819 609233816 /nfs/dbraw/zinc/23/38/16/609233816.db2.gz MPXWCRHRHTYOCD-RDJZCZTQSA-N -1 3 394.439 0.818 20 0 GCADHM Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000826289596 609233880 /nfs/dbraw/zinc/23/38/80/609233880.db2.gz GKLCTYVKNULJQP-WBVHZDCISA-N -1 3 394.439 0.784 20 0 GCADHM Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000826289596 609233881 /nfs/dbraw/zinc/23/38/81/609233881.db2.gz GKLCTYVKNULJQP-WBVHZDCISA-N -1 3 394.439 0.784 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1cncnc1-n1cccn1 ZINC000826175062 609236060 /nfs/dbraw/zinc/23/60/60/609236060.db2.gz RWVGRSURWUNMKL-UHFFFAOYSA-N -1 3 393.367 0.869 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1cncnc1-n1cccn1 ZINC000826175062 609236062 /nfs/dbraw/zinc/23/60/62/609236062.db2.gz RWVGRSURWUNMKL-UHFFFAOYSA-N -1 3 393.367 0.869 20 0 GCADHM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000825583331 609236486 /nfs/dbraw/zinc/23/64/86/609236486.db2.gz SYXZNQFMPWZGKF-XHSDSOJGSA-N -1 3 387.440 0.679 20 0 GCADHM CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000825583331 609236488 /nfs/dbraw/zinc/23/64/88/609236488.db2.gz SYXZNQFMPWZGKF-XHSDSOJGSA-N -1 3 387.440 0.679 20 0 GCADHM COc1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1-n1cnnn1 ZINC000826209461 609238468 /nfs/dbraw/zinc/23/84/68/609238468.db2.gz CNNOSTXECBASIG-OAHLLOKOSA-N -1 3 393.367 0.523 20 0 GCADHM COc1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1-n1cnnn1 ZINC000826209461 609238469 /nfs/dbraw/zinc/23/84/69/609238469.db2.gz CNNOSTXECBASIG-OAHLLOKOSA-N -1 3 393.367 0.523 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCCC2OCCCO2)cc1 ZINC000826395219 609239161 /nfs/dbraw/zinc/23/91/61/609239161.db2.gz SDANDPFQIDCEDV-UHFFFAOYSA-N -1 3 385.384 0.945 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCCC2OCCCO2)cc1 ZINC000826395219 609239162 /nfs/dbraw/zinc/23/91/62/609239162.db2.gz SDANDPFQIDCEDV-UHFFFAOYSA-N -1 3 385.384 0.945 20 0 GCADHM Cc1oc(NC(=O)COC(=O)c2nccn3ccnc23)c(-c2nnn[n-]2)c1C ZINC000826342785 609239205 /nfs/dbraw/zinc/23/92/05/609239205.db2.gz ZUWRDGDKBZMJEW-UHFFFAOYSA-N -1 3 382.340 0.915 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000826392885 609240155 /nfs/dbraw/zinc/24/01/55/609240155.db2.gz RELAQGLVANUOGB-SWLSCSKDSA-N -1 3 396.411 0.128 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000826392885 609240156 /nfs/dbraw/zinc/24/01/56/609240156.db2.gz RELAQGLVANUOGB-SWLSCSKDSA-N -1 3 396.411 0.128 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000826392883 609240212 /nfs/dbraw/zinc/24/02/12/609240212.db2.gz RELAQGLVANUOGB-DOMZBBRYSA-N -1 3 396.411 0.128 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000826392883 609240213 /nfs/dbraw/zinc/24/02/13/609240213.db2.gz RELAQGLVANUOGB-DOMZBBRYSA-N -1 3 396.411 0.128 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)n1 ZINC000826323996 609241836 /nfs/dbraw/zinc/24/18/36/609241836.db2.gz ANBZYUAXJMKSBN-CVEARBPZSA-N -1 3 398.427 0.036 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000826323996 609241838 /nfs/dbraw/zinc/24/18/38/609241838.db2.gz ANBZYUAXJMKSBN-CVEARBPZSA-N -1 3 398.427 0.036 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824100840 609242064 /nfs/dbraw/zinc/24/20/64/609242064.db2.gz YOELJHRIUJUJAZ-KGLIPLIRSA-N -1 3 389.412 0.469 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824100840 609242065 /nfs/dbraw/zinc/24/20/65/609242065.db2.gz YOELJHRIUJUJAZ-KGLIPLIRSA-N -1 3 389.412 0.469 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824970790 609245855 /nfs/dbraw/zinc/24/58/55/609245855.db2.gz YAOCAKIHTAGQKL-LYRGGWFBSA-N -1 3 384.440 0.663 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824970790 609245858 /nfs/dbraw/zinc/24/58/58/609245858.db2.gz YAOCAKIHTAGQKL-LYRGGWFBSA-N -1 3 384.440 0.663 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC000825971546 609247427 /nfs/dbraw/zinc/24/74/27/609247427.db2.gz KXYVHBMBPNTHNU-UHFFFAOYSA-N -1 3 393.407 0.932 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000826359493 609247416 /nfs/dbraw/zinc/24/74/16/609247416.db2.gz INKKJDIITSRGGB-YJBOKZPZSA-N -1 3 383.412 0.408 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000826359493 609247418 /nfs/dbraw/zinc/24/74/18/609247418.db2.gz INKKJDIITSRGGB-YJBOKZPZSA-N -1 3 383.412 0.408 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(=O)Nc1cnc2c(c1)COCC2 ZINC000825971546 609247429 /nfs/dbraw/zinc/24/74/29/609247429.db2.gz KXYVHBMBPNTHNU-UHFFFAOYSA-N -1 3 393.407 0.932 20 0 GCADHM O=C(NC[C@@H](O)COc1cccc(F)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432453 609249019 /nfs/dbraw/zinc/24/90/19/609249019.db2.gz BFCAKMCGNCJOLP-GDBMZVCRSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(NC[C@@H](O)COc1cccc(F)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432453 609249021 /nfs/dbraw/zinc/24/90/21/609249021.db2.gz BFCAKMCGNCJOLP-GDBMZVCRSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(NC[C@H](O)COc1cccc(F)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826432455 609249121 /nfs/dbraw/zinc/24/91/21/609249121.db2.gz BFCAKMCGNCJOLP-HOCLYGCPSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(NC[C@H](O)COc1cccc(F)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826432455 609249123 /nfs/dbraw/zinc/24/91/23/609249123.db2.gz BFCAKMCGNCJOLP-HOCLYGCPSA-N -1 3 387.371 0.595 20 0 GCADHM O=C(C[C@@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000826405124 609250146 /nfs/dbraw/zinc/25/01/46/609250146.db2.gz WLQVRBKUMRDKDU-PBHICJAKSA-N -1 3 397.391 0.994 20 0 GCADHM O=C(C[C@@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000826405124 609250148 /nfs/dbraw/zinc/25/01/48/609250148.db2.gz WLQVRBKUMRDKDU-PBHICJAKSA-N -1 3 397.391 0.994 20 0 GCADHM O=C(NCc1cnn(CC(F)(F)F)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443275 609250349 /nfs/dbraw/zinc/25/03/49/609250349.db2.gz IXRSSMDZHCAFSD-GFCCVEGCSA-N -1 3 381.318 0.975 20 0 GCADHM O=C(NCc1cnn(CC(F)(F)F)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443275 609250350 /nfs/dbraw/zinc/25/03/50/609250350.db2.gz IXRSSMDZHCAFSD-GFCCVEGCSA-N -1 3 381.318 0.975 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826153718 609250830 /nfs/dbraw/zinc/25/08/30/609250830.db2.gz XRKNNRVMNLKGNK-MRXNPFEDSA-N -1 3 388.428 0.044 20 0 GCADHM COCCC(=O)N1CCC(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826153718 609250831 /nfs/dbraw/zinc/25/08/31/609250831.db2.gz XRKNNRVMNLKGNK-MRXNPFEDSA-N -1 3 388.428 0.044 20 0 GCADHM Cn1cc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C(F)(F)F)n1 ZINC000826361025 609254060 /nfs/dbraw/zinc/25/40/60/609254060.db2.gz IDODDOOIVBHEAP-NSHDSACASA-N -1 3 381.318 0.969 20 0 GCADHM Cn1cc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)n1 ZINC000826361025 609254062 /nfs/dbraw/zinc/25/40/62/609254062.db2.gz IDODDOOIVBHEAP-NSHDSACASA-N -1 3 381.318 0.969 20 0 GCADHM O=C(N[C@@H]1CCCc2c1cnn2CCO)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431306 609256447 /nfs/dbraw/zinc/25/64/47/609256447.db2.gz XMIOSKRRPLVXBQ-ZBFHGGJFSA-N -1 3 383.412 0.283 20 0 GCADHM O=C(N[C@@H]1CCCc2c1cnn2CCO)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431306 609256448 /nfs/dbraw/zinc/25/64/48/609256448.db2.gz XMIOSKRRPLVXBQ-ZBFHGGJFSA-N -1 3 383.412 0.283 20 0 GCADHM COC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(O)c1 ZINC000826104266 609257107 /nfs/dbraw/zinc/25/71/07/609257107.db2.gz SWOVSBDWSSKSJL-CABCVRRESA-N -1 3 383.364 0.636 20 0 GCADHM COC(=O)[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC000826104266 609257108 /nfs/dbraw/zinc/25/71/08/609257108.db2.gz SWOVSBDWSSKSJL-CABCVRRESA-N -1 3 383.364 0.636 20 0 GCADHM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826333377 609260034 /nfs/dbraw/zinc/26/00/34/609260034.db2.gz FIQSCJKBUSWWJQ-RDJZCZTQSA-N -1 3 397.439 0.851 20 0 GCADHM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826333377 609260035 /nfs/dbraw/zinc/26/00/35/609260035.db2.gz FIQSCJKBUSWWJQ-RDJZCZTQSA-N -1 3 397.439 0.851 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccc(F)cn2)CC1 ZINC000826398177 609261615 /nfs/dbraw/zinc/26/16/15/609261615.db2.gz RKENNSCIGFZVJT-INIZCTEOSA-N -1 3 383.387 0.783 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccc(F)cn2)CC1 ZINC000826398177 609261616 /nfs/dbraw/zinc/26/16/16/609261616.db2.gz RKENNSCIGFZVJT-INIZCTEOSA-N -1 3 383.387 0.783 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)NCCNC(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826231245 609262476 /nfs/dbraw/zinc/26/24/76/609262476.db2.gz DBAPJOHTMNZJKT-UHFFFAOYSA-N -1 3 390.473 0.862 20 0 GCADHM O=C(NC[C@H]1COC2(CCOCC2)O1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826435356 609265330 /nfs/dbraw/zinc/26/53/30/609265330.db2.gz MROZCKHEQFLDJA-JTQLQIEISA-N -1 3 380.792 0.567 20 0 GCADHM O=C(NC[C@H]1COC2(CCOCC2)O1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826435356 609265332 /nfs/dbraw/zinc/26/53/32/609265332.db2.gz MROZCKHEQFLDJA-JTQLQIEISA-N -1 3 380.792 0.567 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825466237 609265495 /nfs/dbraw/zinc/26/54/95/609265495.db2.gz XMCWZSWSRJMSLV-HZPDHXFCSA-N -1 3 399.455 0.199 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825466237 609265496 /nfs/dbraw/zinc/26/54/96/609265496.db2.gz XMCWZSWSRJMSLV-HZPDHXFCSA-N -1 3 399.455 0.199 20 0 GCADHM O=C(CCn1cccn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826409460 609266127 /nfs/dbraw/zinc/26/61/27/609266127.db2.gz AAGOTJIOPFMBOO-HNNXBMFYSA-N -1 3 380.412 0.765 20 0 GCADHM O=C(CCn1cccn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826409460 609266129 /nfs/dbraw/zinc/26/61/29/609266129.db2.gz AAGOTJIOPFMBOO-HNNXBMFYSA-N -1 3 380.412 0.765 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H](O)c1cccnc1 ZINC000826429740 609266471 /nfs/dbraw/zinc/26/64/71/609266471.db2.gz LXEKKHCVWKWQDD-HOTGVXAUSA-N -1 3 393.407 0.607 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H](O)c1cccnc1 ZINC000826429740 609266472 /nfs/dbraw/zinc/26/64/72/609266472.db2.gz LXEKKHCVWKWQDD-HOTGVXAUSA-N -1 3 393.407 0.607 20 0 GCADHM CCOC(=O)Nc1ccc(N2C(=O)[C@@H]3COCCN3C2=O)cc1-c1nnn[n-]1 ZINC000825523179 609278341 /nfs/dbraw/zinc/27/83/41/609278341.db2.gz NSATULWSAYIJEP-LBPRGKRZSA-N -1 3 387.356 0.603 20 0 GCADHM CCOC(=O)Nc1ccc(N2C(=O)[C@@H]3COCCN3C2=O)cc1-c1nn[n-]n1 ZINC000825523179 609278344 /nfs/dbraw/zinc/27/83/44/609278344.db2.gz NSATULWSAYIJEP-LBPRGKRZSA-N -1 3 387.356 0.603 20 0 GCADHM C[C@@H]1CN(C(=O)CNc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CCO1 ZINC000824967195 609279079 /nfs/dbraw/zinc/27/90/79/609279079.db2.gz HUFXFXFZHNEUOA-LLVKDONJSA-N -1 3 386.391 0.851 20 0 GCADHM CCOCCOC1CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000825600112 609281222 /nfs/dbraw/zinc/28/12/22/609281222.db2.gz ZYZAIHLUYAXLRF-UHFFFAOYSA-N -1 3 376.421 0.121 20 0 GCADHM CCOCCOC1CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000825600112 609281223 /nfs/dbraw/zinc/28/12/23/609281223.db2.gz ZYZAIHLUYAXLRF-UHFFFAOYSA-N -1 3 376.421 0.121 20 0 GCADHM O=C(c1sccc1-c1nnn[n-]1)N1CCN(CCn2ccccc2=O)CC1 ZINC000826475929 609286114 /nfs/dbraw/zinc/28/61/14/609286114.db2.gz WIQKLBWOUMCHIE-UHFFFAOYSA-N -1 3 385.453 0.548 20 0 GCADHM O=C(c1sccc1-c1nn[n-]n1)N1CCN(CCn2ccccc2=O)CC1 ZINC000826475929 609286115 /nfs/dbraw/zinc/28/61/15/609286115.db2.gz WIQKLBWOUMCHIE-UHFFFAOYSA-N -1 3 385.453 0.548 20 0 GCADHM CN1CC[C@@H](C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1=O ZINC000826022421 609286924 /nfs/dbraw/zinc/28/69/24/609286924.db2.gz MTWGKCNLWBWCCX-SNVBAGLBSA-N -1 3 384.375 0.998 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000825493887 609287179 /nfs/dbraw/zinc/28/71/79/609287179.db2.gz QCGZHVUEZQEJJQ-CJNGLKHVSA-N -1 3 389.412 0.720 20 0 GCADHM CCOC(=O)[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC000825493887 609287180 /nfs/dbraw/zinc/28/71/80/609287180.db2.gz QCGZHVUEZQEJJQ-CJNGLKHVSA-N -1 3 389.412 0.720 20 0 GCADHM Cc1c[nH]cc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c1=O ZINC000826318996 609288691 /nfs/dbraw/zinc/28/86/91/609288691.db2.gz JSONOXXDUCOQEF-UHFFFAOYSA-N -1 3 383.387 0.965 20 0 GCADHM Cc1c[nH]cc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c1=O ZINC000826318996 609288692 /nfs/dbraw/zinc/28/86/92/609288692.db2.gz JSONOXXDUCOQEF-UHFFFAOYSA-N -1 3 383.387 0.965 20 0 GCADHM Cn1cc(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cn1 ZINC000826358427 609291260 /nfs/dbraw/zinc/29/12/60/609291260.db2.gz TUMNMKNITUZFCL-UHFFFAOYSA-N -1 3 381.331 0.746 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ccc2nnnn2c1 ZINC000826458494 609293566 /nfs/dbraw/zinc/29/35/66/609293566.db2.gz RUWDBDDJIUJFTI-UHFFFAOYSA-N -1 3 391.330 0.882 20 0 GCADHM COC(=O)[C@@H](CO)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826104367 609295440 /nfs/dbraw/zinc/29/54/40/609295440.db2.gz VKMPWMIJWPCSMB-MRXNPFEDSA-N -1 3 397.391 0.709 20 0 GCADHM COC(=O)[C@@H](CO)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826104367 609295442 /nfs/dbraw/zinc/29/54/42/609295442.db2.gz VKMPWMIJWPCSMB-MRXNPFEDSA-N -1 3 397.391 0.709 20 0 GCADHM Cc1nnc(SCC(=O)N2CCCC[C@H]2C(N)=O)c(-c2nnn[n-]2)c1C ZINC000826336875 609307006 /nfs/dbraw/zinc/30/70/06/609307006.db2.gz RYWUSTDIIBOICB-JTQLQIEISA-N -1 3 376.446 0.232 20 0 GCADHM Cc1nnc(SCC(=O)N2CCCC[C@H]2C(N)=O)c(-c2nn[n-]n2)c1C ZINC000826336875 609307008 /nfs/dbraw/zinc/30/70/08/609307008.db2.gz RYWUSTDIIBOICB-JTQLQIEISA-N -1 3 376.446 0.232 20 0 GCADHM COC[C@@H](C)NC(=O)NC(=O)CSc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC000826149117 609308247 /nfs/dbraw/zinc/30/82/47/609308247.db2.gz ZPVXPWUAQBYVPH-SSDOTTSWSA-N -1 3 380.434 0.226 20 0 GCADHM COC[C@@H](C)NC(=O)NC(=O)CSc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC000826149117 609308248 /nfs/dbraw/zinc/30/82/48/609308248.db2.gz ZPVXPWUAQBYVPH-SSDOTTSWSA-N -1 3 380.434 0.226 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)Nc2ccccc2-n2ncc(-c3nnn[n-]3)c2N)C1 ZINC000824963007 609308882 /nfs/dbraw/zinc/30/88/82/609308882.db2.gz YPBPRBLJDGGTIB-JTQLQIEISA-N -1 3 389.445 0.633 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)Nc2ccccc2-n2ncc(-c3nn[n-]n3)c2N)C1 ZINC000824963007 609308885 /nfs/dbraw/zinc/30/88/85/609308885.db2.gz YPBPRBLJDGGTIB-JTQLQIEISA-N -1 3 389.445 0.633 20 0 GCADHM Cc1cc(C[C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)[nH]n1 ZINC000826266421 609310555 /nfs/dbraw/zinc/31/05/55/609310555.db2.gz OEZFKOXEXUMUOJ-VIFPVBQESA-N -1 3 387.452 0.409 20 0 GCADHM COC[C@H](CNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1)OC ZINC000826149325 609312843 /nfs/dbraw/zinc/31/28/43/609312843.db2.gz FKKIOTITYFTQGZ-AWEZNQCLSA-N -1 3 389.460 0.750 20 0 GCADHM COC[C@H](CNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1)OC ZINC000826149325 609312845 /nfs/dbraw/zinc/31/28/45/609312845.db2.gz FKKIOTITYFTQGZ-AWEZNQCLSA-N -1 3 389.460 0.750 20 0 GCADHM COC[C@@H](CNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1)OC ZINC000826149326 609313010 /nfs/dbraw/zinc/31/30/10/609313010.db2.gz FKKIOTITYFTQGZ-CQSZACIVSA-N -1 3 389.460 0.750 20 0 GCADHM COC[C@@H](CNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1)OC ZINC000826149326 609313011 /nfs/dbraw/zinc/31/30/11/609313011.db2.gz FKKIOTITYFTQGZ-CQSZACIVSA-N -1 3 389.460 0.750 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)[C@H](O)C1CCOCC1 ZINC000826458660 609314406 /nfs/dbraw/zinc/31/44/06/609314406.db2.gz ZWPWSVHWKHCZOO-OAHLLOKOSA-N -1 3 387.375 0.918 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000824961531 609315675 /nfs/dbraw/zinc/31/56/75/609315675.db2.gz DDCLCHRENRLIQD-ZDUSSCGKSA-N -1 3 377.474 0.575 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000824961531 609315677 /nfs/dbraw/zinc/31/56/77/609315677.db2.gz DDCLCHRENRLIQD-ZDUSSCGKSA-N -1 3 377.474 0.575 20 0 GCADHM CC(C)CN(C)S(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000824255615 609317300 /nfs/dbraw/zinc/31/73/00/609317300.db2.gz QBGFKEBLOGRSES-UHFFFAOYSA-N -1 3 397.480 0.960 20 0 GCADHM CN(C)C(=O)CC1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825838581 609318511 /nfs/dbraw/zinc/31/85/11/609318511.db2.gz ACKHCPMHMUWEPJ-UHFFFAOYSA-N -1 3 392.485 0.887 20 0 GCADHM CN(C)C(=O)CC1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825838581 609318513 /nfs/dbraw/zinc/31/85/13/609318513.db2.gz ACKHCPMHMUWEPJ-UHFFFAOYSA-N -1 3 392.485 0.887 20 0 GCADHM O=C(NCCN1CCNC(=O)C1)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000826481257 609319070 /nfs/dbraw/zinc/31/90/70/609319070.db2.gz MXFDUZQVZVNAQG-UHFFFAOYSA-N -1 3 384.227 0.335 20 0 GCADHM O=C(NCCN1CCNC(=O)C1)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826481257 609319071 /nfs/dbraw/zinc/31/90/71/609319071.db2.gz MXFDUZQVZVNAQG-UHFFFAOYSA-N -1 3 384.227 0.335 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826128479 609328680 /nfs/dbraw/zinc/32/86/80/609328680.db2.gz DOMUESPLSYQBPO-CMPLNLGQSA-N -1 3 399.404 0.347 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826129441 609329311 /nfs/dbraw/zinc/32/93/11/609329311.db2.gz SGYDXCZRZFSVRS-CMPLNLGQSA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826129441 609329313 /nfs/dbraw/zinc/32/93/13/609329313.db2.gz SGYDXCZRZFSVRS-CMPLNLGQSA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826129715 609329619 /nfs/dbraw/zinc/32/96/19/609329619.db2.gz YYYJCCGYWRKCEC-ZYHUDNBSSA-N -1 3 399.404 0.347 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826129715 609329621 /nfs/dbraw/zinc/32/96/21/609329621.db2.gz YYYJCCGYWRKCEC-ZYHUDNBSSA-N -1 3 399.404 0.347 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826129713 609329720 /nfs/dbraw/zinc/32/97/20/609329720.db2.gz YYYJCCGYWRKCEC-JQWIXIFHSA-N -1 3 399.404 0.347 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826129713 609329722 /nfs/dbraw/zinc/32/97/22/609329722.db2.gz YYYJCCGYWRKCEC-JQWIXIFHSA-N -1 3 399.404 0.347 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCC(=O)NCC1CC1 ZINC000826175668 609332765 /nfs/dbraw/zinc/33/27/65/609332765.db2.gz MHDHXQPXNPGHDV-UHFFFAOYSA-N -1 3 388.428 0.677 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCC(=O)NCC1CC1 ZINC000826175668 609332767 /nfs/dbraw/zinc/33/27/67/609332767.db2.gz MHDHXQPXNPGHDV-UHFFFAOYSA-N -1 3 388.428 0.677 20 0 GCADHM Cn1cc(CNCc2nnnn2C2CC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361764 609341664 /nfs/dbraw/zinc/34/16/64/609341664.db2.gz NSCFMZFEIRIRAW-UHFFFAOYSA-N -1 3 377.416 0.878 20 0 GCADHM Cn1cc(CNCc2nnnn2C2CC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361764 609341665 /nfs/dbraw/zinc/34/16/65/609341665.db2.gz NSCFMZFEIRIRAW-UHFFFAOYSA-N -1 3 377.416 0.878 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826129185 609346134 /nfs/dbraw/zinc/34/61/34/609346134.db2.gz LRSIPLVZYMJGHK-SKDRFNHKSA-N -1 3 381.339 0.938 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826129185 609346135 /nfs/dbraw/zinc/34/61/35/609346135.db2.gz LRSIPLVZYMJGHK-SKDRFNHKSA-N -1 3 381.339 0.938 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826128521 609346296 /nfs/dbraw/zinc/34/62/96/609346296.db2.gz FLPLNZYQEZMQTA-DFBGVHRSSA-N -1 3 389.412 0.813 20 0 GCADHM CN(C)C(=O)NCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000825846382 609353977 /nfs/dbraw/zinc/35/39/77/609353977.db2.gz ZFZFACXDCODKLF-UHFFFAOYSA-N -1 3 384.347 0.861 20 0 GCADHM CN(C)C(=O)NCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000825846382 609353979 /nfs/dbraw/zinc/35/39/79/609353979.db2.gz ZFZFACXDCODKLF-UHFFFAOYSA-N -1 3 384.347 0.861 20 0 GCADHM CCOCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825599638 609354025 /nfs/dbraw/zinc/35/40/25/609354025.db2.gz OOVNFCVSDBUNCN-UHFFFAOYSA-N -1 3 388.363 0.283 20 0 GCADHM O=C(NCCN1CCNC(=O)C1)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826481114 609354329 /nfs/dbraw/zinc/35/43/29/609354329.db2.gz IDJPFSSDWVRTKF-UHFFFAOYSA-N -1 3 398.349 0.439 20 0 GCADHM O=C(NCCN1CCNC(=O)C1)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826481114 609354331 /nfs/dbraw/zinc/35/43/31/609354331.db2.gz IDJPFSSDWVRTKF-UHFFFAOYSA-N -1 3 398.349 0.439 20 0 GCADHM CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825909124 609356064 /nfs/dbraw/zinc/35/60/64/609356064.db2.gz RZFAXMJITGSHMF-QMTHXVAHSA-N -1 3 376.392 0.954 20 0 GCADHM CN(C[C@H]1CCCC[C@H]1O)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825909124 609356067 /nfs/dbraw/zinc/35/60/67/609356067.db2.gz RZFAXMJITGSHMF-QMTHXVAHSA-N -1 3 376.392 0.954 20 0 GCADHM CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825909125 609356728 /nfs/dbraw/zinc/35/67/28/609356728.db2.gz RZFAXMJITGSHMF-YGRLFVJLSA-N -1 3 376.392 0.954 20 0 GCADHM CN(C[C@H]1CCCC[C@@H]1O)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825909125 609356729 /nfs/dbraw/zinc/35/67/29/609356729.db2.gz RZFAXMJITGSHMF-YGRLFVJLSA-N -1 3 376.392 0.954 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000826184645 609357394 /nfs/dbraw/zinc/35/73/94/609357394.db2.gz FNSXBNGEBVMSMQ-OCCSQVGLSA-N -1 3 388.428 0.823 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)C[C@H]1CCCC[C@@H]1O ZINC000826184645 609357396 /nfs/dbraw/zinc/35/73/96/609357396.db2.gz FNSXBNGEBVMSMQ-OCCSQVGLSA-N -1 3 388.428 0.823 20 0 GCADHM O=C(NCCNC(=O)C1CC1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826437196 609358906 /nfs/dbraw/zinc/35/89/06/609358906.db2.gz ABJLHIHCWGLODT-UHFFFAOYSA-N -1 3 399.390 0.839 20 0 GCADHM CC(=O)NCCCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823995043 609360003 /nfs/dbraw/zinc/36/00/03/609360003.db2.gz YBAOWTVPDKWYIN-UHFFFAOYSA-N -1 3 387.379 0.839 20 0 GCADHM C[C@@H]1C(=O)NCCN1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824859910 609360790 /nfs/dbraw/zinc/36/07/90/609360790.db2.gz RUTYXLKOEAXTQG-SECBINFHSA-N -1 3 385.363 0.544 20 0 GCADHM CN1CCN(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)CC1=O ZINC000826038346 609363970 /nfs/dbraw/zinc/36/39/70/609363970.db2.gz KQIVPZQVRHRYPV-UHFFFAOYSA-N -1 3 385.363 0.497 20 0 GCADHM COC[C@H](CCO)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826149725 609364573 /nfs/dbraw/zinc/36/45/73/609364573.db2.gz NNGUCWYWPWBAQX-JTQLQIEISA-N -1 3 390.379 0.710 20 0 GCADHM C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1 ZINC000824945743 609365816 /nfs/dbraw/zinc/36/58/16/609365816.db2.gz FJKMDCWHSZGILE-JTQLQIEISA-N -1 3 384.375 0.998 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826452542 609366480 /nfs/dbraw/zinc/36/64/80/609366480.db2.gz XHLWLFRZQSJPNY-UHFFFAOYSA-N -1 3 391.457 0.945 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000826452542 609366483 /nfs/dbraw/zinc/36/64/83/609366483.db2.gz XHLWLFRZQSJPNY-UHFFFAOYSA-N -1 3 391.457 0.945 20 0 GCADHM Cc1nnc(CCNC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)[nH]1 ZINC000826324711 609366922 /nfs/dbraw/zinc/36/69/22/609366922.db2.gz BUWMGDMYGFFTRA-UHFFFAOYSA-N -1 3 397.378 0.982 20 0 GCADHM Cc1nnc(CCNC(=O)Nc2ccn(-c3cccc(F)c3-c3nn[n-]n3)n2)[nH]1 ZINC000826324711 609366924 /nfs/dbraw/zinc/36/69/24/609366924.db2.gz BUWMGDMYGFFTRA-UHFFFAOYSA-N -1 3 397.378 0.982 20 0 GCADHM O=C(C1CCCC1)N1CC(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826399071 609367064 /nfs/dbraw/zinc/36/70/64/609367064.db2.gz MGAYKRHOKOJBMI-UHFFFAOYSA-N -1 3 377.426 0.976 20 0 GCADHM O=C(C1CCCC1)N1CC(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826399071 609367066 /nfs/dbraw/zinc/36/70/66/609367066.db2.gz MGAYKRHOKOJBMI-UHFFFAOYSA-N -1 3 377.426 0.976 20 0 GCADHM NS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826394190 609368035 /nfs/dbraw/zinc/36/80/35/609368035.db2.gz ANIAWFXFTGEKTF-JTQLQIEISA-N -1 3 387.263 0.492 20 0 GCADHM NS(=O)(=O)[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2Br)C1 ZINC000826394190 609368038 /nfs/dbraw/zinc/36/80/38/609368038.db2.gz ANIAWFXFTGEKTF-JTQLQIEISA-N -1 3 387.263 0.492 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826128286 609368568 /nfs/dbraw/zinc/36/85/68/609368568.db2.gz BGKRNRIVLJLGCT-PWSUYJOCSA-N -1 3 394.457 0.909 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826128286 609368571 /nfs/dbraw/zinc/36/85/71/609368571.db2.gz BGKRNRIVLJLGCT-PWSUYJOCSA-N -1 3 394.457 0.909 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000826128287 609369077 /nfs/dbraw/zinc/36/90/77/609369077.db2.gz BGKRNRIVLJLGCT-ZYHUDNBSSA-N -1 3 394.457 0.909 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000826128287 609369078 /nfs/dbraw/zinc/36/90/78/609369078.db2.gz BGKRNRIVLJLGCT-ZYHUDNBSSA-N -1 3 394.457 0.909 20 0 GCADHM COC(=O)[C@H](CO)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826103106 609369080 /nfs/dbraw/zinc/36/90/80/609369080.db2.gz CMUDEMLJTJSTRV-ZDUSSCGKSA-N -1 3 383.364 0.923 20 0 GCADHM COC(=O)[C@H](CO)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826103106 609369081 /nfs/dbraw/zinc/36/90/81/609369081.db2.gz CMUDEMLJTJSTRV-ZDUSSCGKSA-N -1 3 383.364 0.923 20 0 GCADHM COCCN1CCN(Cc2ccc(-c3nnn[n-]3)cc2Br)CC1=O ZINC000826159922 609369822 /nfs/dbraw/zinc/36/98/22/609369822.db2.gz XTVLAZNTWUEAAN-UHFFFAOYSA-N -1 3 395.261 0.920 20 0 GCADHM COCCN1CCN(Cc2ccc(-c3nn[n-]n3)cc2Br)CC1=O ZINC000826159922 609369826 /nfs/dbraw/zinc/36/98/26/609369826.db2.gz XTVLAZNTWUEAAN-UHFFFAOYSA-N -1 3 395.261 0.920 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000826060739 609375585 /nfs/dbraw/zinc/37/55/85/609375585.db2.gz SBOBGUOYCBYHEG-NSHDSACASA-N -1 3 376.421 0.402 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000826060739 609375586 /nfs/dbraw/zinc/37/55/86/609375586.db2.gz SBOBGUOYCBYHEG-NSHDSACASA-N -1 3 376.421 0.402 20 0 GCADHM O=C(OC[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826463236 609388648 /nfs/dbraw/zinc/38/86/48/609388648.db2.gz XCEYIPZODVDRGP-SWLSCSKDSA-N -1 3 391.453 0.813 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](OCCN2CCOCC2)C1 ZINC000826421327 609388928 /nfs/dbraw/zinc/38/89/28/609388928.db2.gz CLQUXXSRLOETFM-KRWDZBQOSA-N -1 3 386.456 0.359 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826359133 609393251 /nfs/dbraw/zinc/39/32/51/609393251.db2.gz WWJYPHLYQFKYPB-JKSUJKDBSA-N -1 3 382.428 0.419 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1cccc(C(N)=O)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117947 609395286 /nfs/dbraw/zinc/39/52/86/609395286.db2.gz VWNSTCQMIBOICW-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1cccc(C(N)=O)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117947 609395287 /nfs/dbraw/zinc/39/52/87/609395287.db2.gz VWNSTCQMIBOICW-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)[C@H](OC(=O)c1cccc(C(N)=O)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117946 609395350 /nfs/dbraw/zinc/39/53/50/609395350.db2.gz VWNSTCQMIBOICW-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)[C@H](OC(=O)c1cccc(C(N)=O)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117946 609395352 /nfs/dbraw/zinc/39/53/52/609395352.db2.gz VWNSTCQMIBOICW-CYBMUJFWSA-N -1 3 382.336 0.432 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000824634602 609398053 /nfs/dbraw/zinc/39/80/53/609398053.db2.gz VXYIBVDWCHPNJF-UHIISALHSA-N -1 3 396.448 0.740 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000824634602 609398054 /nfs/dbraw/zinc/39/80/54/609398054.db2.gz VXYIBVDWCHPNJF-UHIISALHSA-N -1 3 396.448 0.740 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826129203 609398386 /nfs/dbraw/zinc/39/83/86/609398386.db2.gz MBMDUYKXBBYXJI-ONGXEEELSA-N -1 3 380.792 0.708 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826129203 609398387 /nfs/dbraw/zinc/39/83/87/609398387.db2.gz MBMDUYKXBBYXJI-ONGXEEELSA-N -1 3 380.792 0.708 20 0 GCADHM CCN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825439875 609400285 /nfs/dbraw/zinc/40/02/85/609400285.db2.gz RPVHYENAIUOPFX-UHFFFAOYSA-N -1 3 382.837 0.859 20 0 GCADHM CCN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825439875 609400286 /nfs/dbraw/zinc/40/02/86/609400286.db2.gz RPVHYENAIUOPFX-UHFFFAOYSA-N -1 3 382.837 0.859 20 0 GCADHM CCN(Cc1cn(C)nn1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825439756 609400326 /nfs/dbraw/zinc/40/03/26/609400326.db2.gz MXJCCRNXZRYAOE-UHFFFAOYSA-N -1 3 384.372 0.484 20 0 GCADHM CCN(Cc1cn(C)nn1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825439756 609400327 /nfs/dbraw/zinc/40/03/27/609400327.db2.gz MXJCCRNXZRYAOE-UHFFFAOYSA-N -1 3 384.372 0.484 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CCO1 ZINC000826060634 609403729 /nfs/dbraw/zinc/40/37/29/609403729.db2.gz PXHSPIJCUMQUQQ-AWEZNQCLSA-N -1 3 389.416 0.633 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CCO1 ZINC000826060634 609403731 /nfs/dbraw/zinc/40/37/31/609403731.db2.gz PXHSPIJCUMQUQQ-AWEZNQCLSA-N -1 3 389.416 0.633 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826214763 609405084 /nfs/dbraw/zinc/40/50/84/609405084.db2.gz WIGASHLGFSJNDD-MRXNPFEDSA-N -1 3 396.407 0.455 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214763 609405086 /nfs/dbraw/zinc/40/50/86/609405086.db2.gz WIGASHLGFSJNDD-MRXNPFEDSA-N -1 3 396.407 0.455 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CCO1 ZINC000826060836 609406131 /nfs/dbraw/zinc/40/61/31/609406131.db2.gz UKOPBJNHGCPJAV-AWEZNQCLSA-N -1 3 389.416 0.633 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CCO1 ZINC000826060836 609406132 /nfs/dbraw/zinc/40/61/32/609406132.db2.gz UKOPBJNHGCPJAV-AWEZNQCLSA-N -1 3 389.416 0.633 20 0 GCADHM Cc1nnc(S[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n(N)c1=O ZINC000826336584 609414935 /nfs/dbraw/zinc/41/49/35/609414935.db2.gz DZIZLSXZXSDMAQ-LBPRGKRZSA-N -1 3 399.440 0.128 20 0 GCADHM Cc1nnc(S[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n(N)c1=O ZINC000826336584 609414938 /nfs/dbraw/zinc/41/49/38/609414938.db2.gz DZIZLSXZXSDMAQ-LBPRGKRZSA-N -1 3 399.440 0.128 20 0 GCADHM NC(=O)CCn1ccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826391685 609417340 /nfs/dbraw/zinc/41/73/40/609417340.db2.gz XCEDTASUXMPQKD-AWEZNQCLSA-N -1 3 395.427 0.546 20 0 GCADHM NC(=O)CCn1ccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826391685 609417341 /nfs/dbraw/zinc/41/73/41/609417341.db2.gz XCEDTASUXMPQKD-AWEZNQCLSA-N -1 3 395.427 0.546 20 0 GCADHM Cc1nc(SCC(=O)NC[C@H](C)S(N)(=O)=O)c(-c2nnn[n-]2)c(C)c1C ZINC000826327514 609419184 /nfs/dbraw/zinc/41/91/84/609419184.db2.gz KLNFCWJTWDKLGS-ZETCQYMHSA-N -1 3 399.502 0.072 20 0 GCADHM Cc1nc(SCC(=O)NC[C@H](C)S(N)(=O)=O)c(-c2nn[n-]n2)c(C)c1C ZINC000826327514 609419186 /nfs/dbraw/zinc/41/91/86/609419186.db2.gz KLNFCWJTWDKLGS-ZETCQYMHSA-N -1 3 399.502 0.072 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000824019973 609420649 /nfs/dbraw/zinc/42/06/49/609420649.db2.gz WUDGWGFTYSRPGH-UHFFFAOYSA-N -1 3 399.455 0.050 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000824019973 609420651 /nfs/dbraw/zinc/42/06/51/609420651.db2.gz WUDGWGFTYSRPGH-UHFFFAOYSA-N -1 3 399.455 0.050 20 0 GCADHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC000824019812 609421628 /nfs/dbraw/zinc/42/16/28/609421628.db2.gz PGSSCZSPBIJATH-UHFFFAOYSA-N -1 3 392.423 0.890 20 0 GCADHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCN(c2ncccc2C(N)=O)CC1 ZINC000824019812 609421629 /nfs/dbraw/zinc/42/16/29/609421629.db2.gz PGSSCZSPBIJATH-UHFFFAOYSA-N -1 3 392.423 0.890 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(CO)cc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826419721 609423447 /nfs/dbraw/zinc/42/34/47/609423447.db2.gz JUOQTLLFGMQERU-UHFFFAOYSA-N -1 3 387.421 0.913 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(CO)cc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826419721 609423448 /nfs/dbraw/zinc/42/34/48/609423448.db2.gz JUOQTLLFGMQERU-UHFFFAOYSA-N -1 3 387.421 0.913 20 0 GCADHM COc1ccccc1[C@H](CO)NCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826218737 609424846 /nfs/dbraw/zinc/42/48/46/609424846.db2.gz JVHYKICRVJOUJW-INIZCTEOSA-N -1 3 382.424 0.815 20 0 GCADHM CN(CC1(CS(C)(=O)=O)CC1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825902607 609429214 /nfs/dbraw/zinc/42/92/14/609429214.db2.gz XIEZVXZURFVDSU-UHFFFAOYSA-N -1 3 385.471 0.312 20 0 GCADHM CN(CC1(CS(C)(=O)=O)CC1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825902607 609429215 /nfs/dbraw/zinc/42/92/15/609429215.db2.gz XIEZVXZURFVDSU-UHFFFAOYSA-N -1 3 385.471 0.312 20 0 GCADHM CNC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000826060336 609430378 /nfs/dbraw/zinc/43/03/78/609430378.db2.gz LCCCKWONXCJRAW-ZANVPECISA-N -1 3 393.835 0.294 20 0 GCADHM CNC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000826060336 609430381 /nfs/dbraw/zinc/43/03/81/609430381.db2.gz LCCCKWONXCJRAW-ZANVPECISA-N -1 3 393.835 0.294 20 0 GCADHM CNC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000826060334 609430414 /nfs/dbraw/zinc/43/04/14/609430414.db2.gz LCCCKWONXCJRAW-RNCFNFMXSA-N -1 3 393.835 0.294 20 0 GCADHM CNC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000826060334 609430416 /nfs/dbraw/zinc/43/04/16/609430416.db2.gz LCCCKWONXCJRAW-RNCFNFMXSA-N -1 3 393.835 0.294 20 0 GCADHM CNC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000826060335 609430482 /nfs/dbraw/zinc/43/04/82/609430482.db2.gz LCCCKWONXCJRAW-TVQRCGJNSA-N -1 3 393.835 0.294 20 0 GCADHM CNC(=O)[C@H]1CN([C@@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000826060335 609430484 /nfs/dbraw/zinc/43/04/84/609430484.db2.gz LCCCKWONXCJRAW-TVQRCGJNSA-N -1 3 393.835 0.294 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1cc(-n2ccnc2)ccn1 ZINC000826437949 609430891 /nfs/dbraw/zinc/43/08/91/609430891.db2.gz IBINCCFMQLSKOQ-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1cc(-n2ccnc2)ccn1 ZINC000826437949 609430893 /nfs/dbraw/zinc/43/08/93/609430893.db2.gz IBINCCFMQLSKOQ-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM CC(C)NS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824304554 609438596 /nfs/dbraw/zinc/43/85/96/609438596.db2.gz AQIASVMRLIIJSI-UHFFFAOYSA-N -1 3 393.473 0.760 20 0 GCADHM CC(C)NS(=O)(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824304554 609438598 /nfs/dbraw/zinc/43/85/98/609438598.db2.gz AQIASVMRLIIJSI-UHFFFAOYSA-N -1 3 393.473 0.760 20 0 GCADHM O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826480106 609438720 /nfs/dbraw/zinc/43/87/20/609438720.db2.gz RFZADCWTCXROPF-KBPBESRZSA-N -1 3 377.426 0.625 20 0 GCADHM O=C1CCC[C@H]1[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826480106 609438723 /nfs/dbraw/zinc/43/87/23/609438723.db2.gz RFZADCWTCXROPF-KBPBESRZSA-N -1 3 377.426 0.625 20 0 GCADHM CCCNC(=O)C[C@H](C(N)=O)N(CCC)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825328366 609439624 /nfs/dbraw/zinc/43/96/24/609439624.db2.gz QRCJUKLKWQCMKQ-OAHLLOKOSA-N -1 3 391.451 0.988 20 0 GCADHM CCOC(=O)[C@H](NCC(=O)Nc1sccc1-c1nnn[n-]1)[C@@H]1CCCOC1 ZINC000825493449 609439751 /nfs/dbraw/zinc/43/97/51/609439751.db2.gz LSYKUIFXYUKPIX-ZWNOBZJWSA-N -1 3 394.457 0.815 20 0 GCADHM CCOC(=O)[C@H](NCC(=O)Nc1sccc1-c1nn[n-]n1)[C@@H]1CCCOC1 ZINC000825493449 609439752 /nfs/dbraw/zinc/43/97/52/609439752.db2.gz LSYKUIFXYUKPIX-ZWNOBZJWSA-N -1 3 394.457 0.815 20 0 GCADHM Cc1c[nH]cc(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1=O ZINC000826318934 609440416 /nfs/dbraw/zinc/44/04/16/609440416.db2.gz GOZVQSYLQIUNCY-CQSZACIVSA-N -1 3 380.364 0.826 20 0 GCADHM Cc1c[nH]cc(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1=O ZINC000826318934 609440419 /nfs/dbraw/zinc/44/04/19/609440419.db2.gz GOZVQSYLQIUNCY-CQSZACIVSA-N -1 3 380.364 0.826 20 0 GCADHM Cc1c[nH]cc(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c1=O ZINC000826318933 609440557 /nfs/dbraw/zinc/44/05/57/609440557.db2.gz GOZVQSYLQIUNCY-AWEZNQCLSA-N -1 3 380.364 0.826 20 0 GCADHM Cc1c[nH]cc(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c1=O ZINC000826318933 609440559 /nfs/dbraw/zinc/44/05/59/609440559.db2.gz GOZVQSYLQIUNCY-AWEZNQCLSA-N -1 3 380.364 0.826 20 0 GCADHM CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000825498765 609453558 /nfs/dbraw/zinc/45/35/58/609453558.db2.gz BYZCNAPJVUDBJN-UHFFFAOYSA-N -1 3 389.416 0.069 20 0 GCADHM CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000825498765 609453561 /nfs/dbraw/zinc/45/35/61/609453561.db2.gz BYZCNAPJVUDBJN-UHFFFAOYSA-N -1 3 389.416 0.069 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000824039795 609458342 /nfs/dbraw/zinc/45/83/42/609458342.db2.gz HWJMUMPZZIHTTL-GFCCVEGCSA-N -1 3 381.444 0.304 20 0 GCADHM C[C@H](C(=O)NC1CC1)N1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000824039795 609458344 /nfs/dbraw/zinc/45/83/44/609458344.db2.gz HWJMUMPZZIHTTL-GFCCVEGCSA-N -1 3 381.444 0.304 20 0 GCADHM Cn1ccc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362611 609459680 /nfs/dbraw/zinc/45/96/80/609459680.db2.gz AMFIMSXTDGILMW-AWEZNQCLSA-N -1 3 398.452 0.683 20 0 GCADHM Cn1ccc(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362611 609459683 /nfs/dbraw/zinc/45/96/83/609459683.db2.gz AMFIMSXTDGILMW-AWEZNQCLSA-N -1 3 398.452 0.683 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cc[n+]([O-])cc1 ZINC000826462023 609460126 /nfs/dbraw/zinc/46/01/26/609460126.db2.gz MGYOKBUCFURFRA-OAHLLOKOSA-N -1 3 380.364 0.853 20 0 GCADHM O=C(O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cc[n+]([O-])cc1 ZINC000826462023 609460127 /nfs/dbraw/zinc/46/01/27/609460127.db2.gz MGYOKBUCFURFRA-OAHLLOKOSA-N -1 3 380.364 0.853 20 0 GCADHM O=C(O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)c1cc[n+]([O-])cc1 ZINC000826462022 609460642 /nfs/dbraw/zinc/46/06/42/609460642.db2.gz MGYOKBUCFURFRA-HNNXBMFYSA-N -1 3 380.364 0.853 20 0 GCADHM O=C(O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)c1cc[n+]([O-])cc1 ZINC000826462022 609460644 /nfs/dbraw/zinc/46/06/44/609460644.db2.gz MGYOKBUCFURFRA-HNNXBMFYSA-N -1 3 380.364 0.853 20 0 GCADHM Cc1nc2c(cnn2C)c(N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC000826327075 609460985 /nfs/dbraw/zinc/46/09/85/609460985.db2.gz RCOSLQCNKZNLLN-UHFFFAOYSA-N -1 3 393.415 0.142 20 0 GCADHM Cc1nc2c(cnn2C)c(N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC000826327075 609460987 /nfs/dbraw/zinc/46/09/87/609460987.db2.gz RCOSLQCNKZNLLN-UHFFFAOYSA-N -1 3 393.415 0.142 20 0 GCADHM O=C(CNC(=O)C1CC1)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826411737 609465388 /nfs/dbraw/zinc/46/53/88/609465388.db2.gz KPDPXDBPFIJHDV-CQSZACIVSA-N -1 3 384.396 0.432 20 0 GCADHM O=C(CNC(=O)C1CC1)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826411737 609465390 /nfs/dbraw/zinc/46/53/90/609465390.db2.gz KPDPXDBPFIJHDV-CQSZACIVSA-N -1 3 384.396 0.432 20 0 GCADHM Cn1cnn(CC(=O)NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)c1=O ZINC000826365506 609465831 /nfs/dbraw/zinc/46/58/31/609465831.db2.gz QLJGLRFVXLXJSW-UHFFFAOYSA-N -1 3 396.436 0.807 20 0 GCADHM CCOCCOCC(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825599009 609466136 /nfs/dbraw/zinc/46/61/36/609466136.db2.gz FSQXKBOXHAJPBF-HNNXBMFYSA-N -1 3 389.412 0.958 20 0 GCADHM CCOCCOCC(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825599009 609466138 /nfs/dbraw/zinc/46/61/38/609466138.db2.gz FSQXKBOXHAJPBF-HNNXBMFYSA-N -1 3 389.412 0.958 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824678014 609467523 /nfs/dbraw/zinc/46/75/23/609467523.db2.gz KANGNCWHENRZQN-PXAZEXFGSA-N -1 3 396.451 0.758 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824678014 609467524 /nfs/dbraw/zinc/46/75/24/609467524.db2.gz KANGNCWHENRZQN-PXAZEXFGSA-N -1 3 396.451 0.758 20 0 GCADHM CSc1nc(C2CC2)cc(C(=O)NN2CC(=O)N(C)C2=O)c1-c1nnn[n-]1 ZINC000826231487 609468458 /nfs/dbraw/zinc/46/84/58/609468458.db2.gz NJNVSBZYUFMMJO-UHFFFAOYSA-N -1 3 388.413 0.400 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000826161884 609482976 /nfs/dbraw/zinc/48/29/76/609482976.db2.gz DDIVJVDDJYMJLW-BETUJISGSA-N -1 3 390.444 0.940 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000826161884 609482979 /nfs/dbraw/zinc/48/29/79/609482979.db2.gz DDIVJVDDJYMJLW-BETUJISGSA-N -1 3 390.444 0.940 20 0 GCADHM CCc1nnc(N2CC(n3cc(C(=O)OC)nn3)C2)c(-c2nnn[n-]2)c1CC ZINC000825766753 609491441 /nfs/dbraw/zinc/49/14/41/609491441.db2.gz CUOLARJPHJBSEP-UHFFFAOYSA-N -1 3 384.404 0.221 20 0 GCADHM CCc1nnc(N2CC(n3cc(C(=O)OC)nn3)C2)c(-c2nn[n-]n2)c1CC ZINC000825766753 609491444 /nfs/dbraw/zinc/49/14/44/609491444.db2.gz CUOLARJPHJBSEP-UHFFFAOYSA-N -1 3 384.404 0.221 20 0 GCADHM COCc1nc([C@H]2COCCN2Cc2cnc3ccc(-c4nnn[n-]4)cn23)no1 ZINC000826165504 609494794 /nfs/dbraw/zinc/49/47/94/609494794.db2.gz YDETVAPVLUZPQH-CYBMUJFWSA-N -1 3 397.399 0.617 20 0 GCADHM COCc1nc([C@H]2COCCN2Cc2cnc3ccc(-c4nn[n-]n4)cn23)no1 ZINC000826165504 609494795 /nfs/dbraw/zinc/49/47/95/609494795.db2.gz YDETVAPVLUZPQH-CYBMUJFWSA-N -1 3 397.399 0.617 20 0 GCADHM C[C@H](CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)S(N)(=O)=O ZINC000824422120 609494896 /nfs/dbraw/zinc/49/48/96/609494896.db2.gz XEGIDDLVEVGXKH-ZCFIWIBFSA-N -1 3 391.360 0.267 20 0 GCADHM C[C@H](CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)S(N)(=O)=O ZINC000824422120 609494897 /nfs/dbraw/zinc/49/48/97/609494897.db2.gz XEGIDDLVEVGXKH-ZCFIWIBFSA-N -1 3 391.360 0.267 20 0 GCADHM O=S(=O)([C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)N1CCOCC1 ZINC000826483907 609495743 /nfs/dbraw/zinc/49/57/43/609495743.db2.gz FOZOGKOUJWVHCV-ZDUSSCGKSA-N -1 3 398.514 0.555 20 0 GCADHM O=S(=O)([C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)s2)C1)N1CCOCC1 ZINC000826483907 609495745 /nfs/dbraw/zinc/49/57/45/609495745.db2.gz FOZOGKOUJWVHCV-ZDUSSCGKSA-N -1 3 398.514 0.555 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC(n2cc([C@H](C)O)nn2)C1 ZINC000826279597 609497407 /nfs/dbraw/zinc/49/74/07/609497407.db2.gz VQINZTDFWLNFCA-JTQLQIEISA-N -1 3 390.429 0.066 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(n2cc([C@H](C)O)nn2)C1 ZINC000826279597 609497409 /nfs/dbraw/zinc/49/74/09/609497409.db2.gz VQINZTDFWLNFCA-JTQLQIEISA-N -1 3 390.429 0.066 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)no1 ZINC000826324874 609497458 /nfs/dbraw/zinc/49/74/58/609497458.db2.gz HQIQJPMCQCSDMX-LLVKDONJSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)no1 ZINC000826324874 609497460 /nfs/dbraw/zinc/49/74/60/609497460.db2.gz HQIQJPMCQCSDMX-LLVKDONJSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@@H]2COCCN2CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)no1 ZINC000826324853 609497518 /nfs/dbraw/zinc/49/75/18/609497518.db2.gz HCLKOOYZWPSGGO-AWEZNQCLSA-N -1 3 384.400 0.960 20 0 GCADHM Cc1nc([C@@H]2COCCN2CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826324853 609497519 /nfs/dbraw/zinc/49/75/19/609497519.db2.gz HCLKOOYZWPSGGO-AWEZNQCLSA-N -1 3 384.400 0.960 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000826337285 609497753 /nfs/dbraw/zinc/49/77/53/609497753.db2.gz JDNKCROUUDYOFO-SNVBAGLBSA-N -1 3 378.393 0.199 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000826337309 609497766 /nfs/dbraw/zinc/49/77/66/609497766.db2.gz JYKOUFWZDKWKCR-SECBINFHSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000826337309 609497769 /nfs/dbraw/zinc/49/77/69/609497769.db2.gz JYKOUFWZDKWKCR-SECBINFHSA-N -1 3 394.848 0.713 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3C)CCO2)no1 ZINC000826325415 609497870 /nfs/dbraw/zinc/49/78/70/609497870.db2.gz WXSYJARTSLUXCN-LBPRGKRZSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3C)CCO2)no1 ZINC000826325415 609497873 /nfs/dbraw/zinc/49/78/73/609497873.db2.gz WXSYJARTSLUXCN-LBPRGKRZSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCO2)no1 ZINC000826325440 609498220 /nfs/dbraw/zinc/49/82/20/609498220.db2.gz XLUJCROFSRPJSM-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCO2)no1 ZINC000826325440 609498223 /nfs/dbraw/zinc/49/82/23/609498223.db2.gz XLUJCROFSRPJSM-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM O=C(CC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)NCC(F)(F)F ZINC000826404262 609501529 /nfs/dbraw/zinc/50/15/29/609501529.db2.gz UNMQXZIVGXDSKN-LBPRGKRZSA-N -1 3 398.345 0.835 20 0 GCADHM O=C(CC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)NCC(F)(F)F ZINC000826404262 609501531 /nfs/dbraw/zinc/50/15/31/609501531.db2.gz UNMQXZIVGXDSKN-LBPRGKRZSA-N -1 3 398.345 0.835 20 0 GCADHM COCc1nc([C@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)cc2C)no1 ZINC000826165028 609503100 /nfs/dbraw/zinc/50/31/00/609503100.db2.gz CCLWXUOMMHSDCK-CYBMUJFWSA-N -1 3 385.384 0.918 20 0 GCADHM COCc1nc([C@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)cc2C)no1 ZINC000826165028 609503102 /nfs/dbraw/zinc/50/31/02/609503102.db2.gz CCLWXUOMMHSDCK-CYBMUJFWSA-N -1 3 385.384 0.918 20 0 GCADHM COCc1nc([C@H]2COCCN2C(=O)c2sccc2-c2nnn[n-]2)no1 ZINC000826165195 609503165 /nfs/dbraw/zinc/50/31/65/609503165.db2.gz JPGREOCUDMPABI-SECBINFHSA-N -1 3 377.386 0.671 20 0 GCADHM COCc1nc([C@H]2COCCN2C(=O)c2sccc2-c2nn[n-]n2)no1 ZINC000826165195 609503167 /nfs/dbraw/zinc/50/31/67/609503167.db2.gz JPGREOCUDMPABI-SECBINFHSA-N -1 3 377.386 0.671 20 0 GCADHM Cc1nc([C@H]2COCCN2C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826324950 609503471 /nfs/dbraw/zinc/50/34/71/609503471.db2.gz JJOBWURTAFSAKG-QMTHXVAHSA-N -1 3 385.384 0.926 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389490 609508741 /nfs/dbraw/zinc/50/87/41/609508741.db2.gz ZPXHSSPTNSOKQQ-HOTGVXAUSA-N -1 3 392.423 0.573 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389490 609508743 /nfs/dbraw/zinc/50/87/43/609508743.db2.gz ZPXHSSPTNSOKQQ-HOTGVXAUSA-N -1 3 392.423 0.573 20 0 GCADHM CC(C)(CNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)N1CCOCC1 ZINC000824158562 609508880 /nfs/dbraw/zinc/50/88/80/609508880.db2.gz XZICWKAEFROXCI-UHFFFAOYSA-N -1 3 380.474 0.397 20 0 GCADHM CC(C)(CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000824158562 609508882 /nfs/dbraw/zinc/50/88/82/609508882.db2.gz XZICWKAEFROXCI-UHFFFAOYSA-N -1 3 380.474 0.397 20 0 GCADHM O=C(CNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)NCc1ccco1 ZINC000826412345 609513740 /nfs/dbraw/zinc/51/37/40/609513740.db2.gz KXIIHBQUXCFOBM-UHFFFAOYSA-N -1 3 376.398 0.196 20 0 GCADHM O=C(CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)NCc1ccco1 ZINC000826412345 609513743 /nfs/dbraw/zinc/51/37/43/609513743.db2.gz KXIIHBQUXCFOBM-UHFFFAOYSA-N -1 3 376.398 0.196 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000824744938 609514647 /nfs/dbraw/zinc/51/46/47/609514647.db2.gz JPQPUKSEIFQNMR-RYUDHWBXSA-N -1 3 379.442 0.718 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000824744938 609514649 /nfs/dbraw/zinc/51/46/49/609514649.db2.gz JPQPUKSEIFQNMR-RYUDHWBXSA-N -1 3 379.442 0.718 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(CC(=O)NC3CC3)CC2)c1-c1nnn[n-]1 ZINC000826237988 609524642 /nfs/dbraw/zinc/52/46/42/609524642.db2.gz SGPLSZVOJVZMIG-UHFFFAOYSA-N -1 3 376.852 0.624 20 0 GCADHM Cc1c(Cl)cnc(N2CCN(CC(=O)NC3CC3)CC2)c1-c1nn[n-]n1 ZINC000826237988 609524644 /nfs/dbraw/zinc/52/46/44/609524644.db2.gz SGPLSZVOJVZMIG-UHFFFAOYSA-N -1 3 376.852 0.624 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(c2nccc(C)c2-c2nnn[n-]2)CC1 ZINC000825416408 609526283 /nfs/dbraw/zinc/52/62/83/609526283.db2.gz IGARUGSYFMQFCW-UHFFFAOYSA-N -1 3 380.478 0.279 20 0 GCADHM CCN(CC)S(=O)(=O)N1CCN(c2nccc(C)c2-c2nn[n-]n2)CC1 ZINC000825416408 609526285 /nfs/dbraw/zinc/52/62/85/609526285.db2.gz IGARUGSYFMQFCW-UHFFFAOYSA-N -1 3 380.478 0.279 20 0 GCADHM Cc1cc(C(=O)Nc2ccn(CC(N)=O)n2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260273 609532872 /nfs/dbraw/zinc/53/28/72/609532872.db2.gz FMWHEFLJWUFIRA-UHFFFAOYSA-N -1 3 392.383 0.295 20 0 GCADHM Cc1cc(C(=O)Nc2ccn(CC(N)=O)n2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260273 609532873 /nfs/dbraw/zinc/53/28/73/609532873.db2.gz FMWHEFLJWUFIRA-UHFFFAOYSA-N -1 3 392.383 0.295 20 0 GCADHM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825888074 609536489 /nfs/dbraw/zinc/53/64/89/609536489.db2.gz NFYSWPQJCZIJNY-VIFPVBQESA-N -1 3 391.862 0.328 20 0 GCADHM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825888074 609536492 /nfs/dbraw/zinc/53/64/92/609536492.db2.gz NFYSWPQJCZIJNY-VIFPVBQESA-N -1 3 391.862 0.328 20 0 GCADHM O=C1CCCN1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826480900 609537283 /nfs/dbraw/zinc/53/72/83/609537283.db2.gz WVDRONVYADSJPK-UHFFFAOYSA-N -1 3 384.849 0.811 20 0 GCADHM O=C1CCCN1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826480900 609537285 /nfs/dbraw/zinc/53/72/85/609537285.db2.gz WVDRONVYADSJPK-UHFFFAOYSA-N -1 3 384.849 0.811 20 0 GCADHM Cc1c(Cl)cnc(NCCS(=O)(=O)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826240124 609542151 /nfs/dbraw/zinc/54/21/51/609542151.db2.gz CZBBQNNXZHKREP-UHFFFAOYSA-N -1 3 387.853 0.297 20 0 GCADHM Cc1c(Cl)cnc(NCCS(=O)(=O)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826240124 609542152 /nfs/dbraw/zinc/54/21/52/609542152.db2.gz CZBBQNNXZHKREP-UHFFFAOYSA-N -1 3 387.853 0.297 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824213736 609544420 /nfs/dbraw/zinc/54/44/20/609544420.db2.gz CPPROIOZCDHWNH-LBPRGKRZSA-N -1 3 384.849 0.665 20 0 GCADHM CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824213736 609544422 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PHINJDMESVMEHM-MWLCHTKSSA-N -1 3 398.466 0.741 20 0 GCADHM COCCOCCOCCS(=O)(=O)[N-][C@@H]1CCc2ccccc2NC1=O ZINC000655628630 1184756424 /nfs/dbraw/zinc/75/64/24/1184756424.db2.gz PCNPLPIZBLMMJE-MRXNPFEDSA-N -1 3 386.470 0.539 20 0 GCADHM Cn1nnc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)C2 ZINC000655649673 1184766659 /nfs/dbraw/zinc/76/66/59/1184766659.db2.gz LPENMLVXBRCHEX-MRVPVSSYSA-N -1 3 394.848 0.484 20 0 GCADHM Cn1nnc2c1CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)C2 ZINC000655649673 1184766663 /nfs/dbraw/zinc/76/66/63/1184766663.db2.gz LPENMLVXBRCHEX-MRVPVSSYSA-N -1 3 394.848 0.484 20 0 GCADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCOC[C@]12CCOC2 ZINC000375620971 1184813934 /nfs/dbraw/zinc/81/39/34/1184813934.db2.gz MUAVCZRGHHTPDY-QGZVFWFLSA-N -1 3 384.429 0.898 20 0 GCADHM O=C(CCn1nnc2ccccc2c1=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000109875184 1184836191 /nfs/dbraw/zinc/83/61/91/1184836191.db2.gz LKPKBOBAUHLIJO-UHFFFAOYSA-N -1 3 376.380 0.678 20 0 GCADHM O=C(CCn1nnc2ccccc2c1=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000109875184 1184836197 /nfs/dbraw/zinc/83/61/97/1184836197.db2.gz LKPKBOBAUHLIJO-UHFFFAOYSA-N -1 3 376.380 0.678 20 0 GCADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCN(C[C@H](C)O)CC1 ZINC000547985028 1184877043 /nfs/dbraw/zinc/87/70/43/1184877043.db2.gz SRBXLUKSTXBZBG-AWEZNQCLSA-N -1 3 385.468 0.598 20 0 GCADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H](O)[C@@H]3C(=O)OC)nc(=O)c2c1C ZINC000275669617 1184904501 /nfs/dbraw/zinc/90/45/01/1184904501.db2.gz YYCKSWRXZZVBED-JOYOIKCWSA-N -1 3 395.437 0.990 20 0 GCADHM CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C(=O)[O-] ZINC000656001985 1184931482 /nfs/dbraw/zinc/93/14/82/1184931482.db2.gz QXYQWAKZBPNXTR-HOCLYGCPSA-N -1 3 376.457 0.731 20 0 GCADHM C[C@H](CNC(=O)C(=O)N1CCCN(CCCc2ccccc2)CC1)C(=O)[O-] ZINC000656001458 1184934021 /nfs/dbraw/zinc/93/40/21/1184934021.db2.gz ICSDSIFXTPNEFA-MRXNPFEDSA-N -1 3 375.469 0.990 20 0 GCADHM CCN1C[C@H](NC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1=O ZINC000653127348 1184974307 /nfs/dbraw/zinc/97/43/07/1184974307.db2.gz ACOZAQHMPYKHTH-LLVKDONJSA-N -1 3 390.412 0.163 20 0 GCADHM Cc1nc(C)c(CC(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3CC(C)C)[C@@H](O)C2)c(=O)[n-]1 ZINC000970719047 1184985482 /nfs/dbraw/zinc/98/54/82/1184985482.db2.gz WLMXAKBEIYDXBP-DZUCGIPZSA-N -1 3 390.484 0.712 20 0 GCADHM Cc1ccc(NC(=O)COC(=O)C[N-]S(=O)(=O)CCOC(C)C)cc1F ZINC000748149772 1185069245 /nfs/dbraw/zinc/06/92/45/1185069245.db2.gz SAFUTCJYQGJJTB-UHFFFAOYSA-N -1 3 390.433 0.960 20 0 GCADHM CC(C)OCCS(=O)(=O)[N-]CC(=O)O[C@H]1CCN(c2ccccc2)C1=O ZINC000748149815 1185073343 /nfs/dbraw/zinc/07/33/43/1185073343.db2.gz TYSJUZLWZZANEH-HNNXBMFYSA-N -1 3 384.454 0.680 20 0 GCADHM C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(C(=O)c3nnc4ccccc4c3[O-])C[C@@H]2O)O1 ZINC000970837025 1185080786 /nfs/dbraw/zinc/08/07/86/1185080786.db2.gz BFEYSNVYXYTKBI-QPKOPYBWSA-N -1 3 386.408 0.204 20 0 GCADHM CC(C)OCCS(=O)(=O)[N-]CC(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000748150014 1185085482 /nfs/dbraw/zinc/08/54/82/1185085482.db2.gz YDBMGVHGQQBGOH-KFWWJZLASA-N -1 3 392.518 0.957 20 0 GCADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@@H](O)C(N)=O)c2)cc1 ZINC000683917279 1185209821 /nfs/dbraw/zinc/20/98/21/1185209821.db2.gz ZWODWRPPVVLQPF-MRXNPFEDSA-N -1 3 391.449 0.680 20 0 GCADHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC[C@H](O)C(N)=O)c2)cc1 ZINC000683917278 1185210381 /nfs/dbraw/zinc/21/03/81/1185210381.db2.gz ZWODWRPPVVLQPF-INIZCTEOSA-N -1 3 391.449 0.680 20 0 GCADHM C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000275878895 1185221811 /nfs/dbraw/zinc/22/18/11/1185221811.db2.gz LRVQGIJLCLOQTD-MNOVXSKESA-N -1 3 381.458 0.835 20 0 GCADHM O=C(Nc1n[n-]c(SCCO)n1)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 ZINC000275932193 1185310357 /nfs/dbraw/zinc/31/03/57/1185310357.db2.gz ILKCUPMWEDCDJG-RYUDHWBXSA-N -1 3 381.458 0.269 20 0 GCADHM Cn1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC=CCC2)nc2cccnc21 ZINC000656380028 1185497648 /nfs/dbraw/zinc/49/76/48/1185497648.db2.gz FZCGYGWKDKXHRM-UHFFFAOYSA-N -1 3 399.498 0.692 20 0 GCADHM COC(=O)c1sc2[n-]c(CN3CCN(C(=O)N(C)C)CC3)nc(=O)c2c1C ZINC000029925224 1185501080 /nfs/dbraw/zinc/50/10/80/1185501080.db2.gz BZCNHGTUYIIKSM-UHFFFAOYSA-N -1 3 393.469 0.879 20 0 GCADHM CC(C)(C)OCCS(=O)(=O)[N-]C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 ZINC001211509700 1185529519 /nfs/dbraw/zinc/52/95/19/1185529519.db2.gz FOXQAJSZVCGGAO-UHFFFAOYSA-N -1 3 379.479 0.196 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@@H]2C1 ZINC001021792847 1185533249 /nfs/dbraw/zinc/53/32/49/1185533249.db2.gz YTIRUYRSRVNTNM-YXCITZCRSA-N -1 3 387.440 0.078 20 0 GCADHM O=C(NCCc1c(F)cc([O-])cc1F)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000933106000 1185539070 /nfs/dbraw/zinc/53/90/70/1185539070.db2.gz CTIWZHVVEOYKNB-ZDUSSCGKSA-N -1 3 397.422 0.510 20 0 GCADHM O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)[N-][C@H]1COCCC1=O ZINC000625491776 1185556114 /nfs/dbraw/zinc/55/61/14/1185556114.db2.gz HRKBDOCRIVFDFQ-AWEZNQCLSA-N -1 3 380.422 0.340 20 0 GCADHM Cc1nc(C)c(CC(=O)N2C[C@@H]3CCN(C(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)c(=O)[n-]1 ZINC001021858097 1185643392 /nfs/dbraw/zinc/64/33/92/1185643392.db2.gz HBRMQSLZBWIHAS-AQXBJYLJSA-N -1 3 386.452 0.437 20 0 GCADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@H]2CN(C(=O)[C@]34C[C@H]3COC4)C[C@H]21 ZINC001021920681 1185677964 /nfs/dbraw/zinc/67/79/64/1185677964.db2.gz WQDOEJQTAZCLQE-UYVPSMGWSA-N -1 3 384.436 0.769 20 0 GCADHM CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)CN3CCCCC3=O)C2)cc(=O)[n-]1 ZINC000276271082 1185716568 /nfs/dbraw/zinc/71/65/68/1185716568.db2.gz GOWSYJXTFVIKGX-HNNXBMFYSA-N -1 3 390.488 0.293 20 0 GCADHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCC(=O)N(C)C)c1)[C@H]1CCOC1 ZINC000656617780 1185734402 /nfs/dbraw/zinc/73/44/02/1185734402.db2.gz QUNRPDPMHIFOIB-XJKSGUPXSA-N -1 3 386.470 0.947 20 0 GCADHM CO[C@H](CS(=O)(=O)[N-]c1ccc(-n2ncn(C)c2=O)cc1)[C@H]1CCOC1 ZINC000656625598 1185745372 /nfs/dbraw/zinc/74/53/72/1185745372.db2.gz BKZVJOUEIPAYAI-SWLSCSKDSA-N -1 3 382.442 0.364 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C1 ZINC001022014960 1185767500 /nfs/dbraw/zinc/76/75/00/1185767500.db2.gz RTXGYKPLQWVBFP-KYEXWDHISA-N -1 3 382.424 0.690 20 0 GCADHM O=C([C@@H]1CCCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C1)N1CCNCC1 ZINC000430639032 1185841726 /nfs/dbraw/zinc/84/17/26/1185841726.db2.gz HCIVYTMSDZQTKW-CQSZACIVSA-N -1 3 391.497 0.152 20 0 GCADHM CN1CCN(c2cc(N3CCN(C(=O)c4ccc([O-])cc4)CC3)ncn2)CC1=O ZINC000276522491 1185861371 /nfs/dbraw/zinc/86/13/71/1185861371.db2.gz VAEUXMSULSKNIX-UHFFFAOYSA-N -1 3 396.451 0.423 20 0 GCADHM CO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(c2cc(C)nn2C)C1=O)C1CCCC1 ZINC000656922818 1185939293 /nfs/dbraw/zinc/93/92/93/1185939293.db2.gz XHOSQUDLNLVSNT-HUUCEWRRSA-N -1 3 384.502 0.958 20 0 GCADHM CN(C)c1nc(CN(C)[C@@H]2CCN(S(=O)(=O)c3ccncc3)C2)cc(=O)[n-]1 ZINC000656981188 1185957631 /nfs/dbraw/zinc/95/76/31/1185957631.db2.gz CWUPMWJPTADRKR-CQSZACIVSA-N -1 3 392.485 0.538 20 0 GCADHM CCCCc1nc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(C(=O)OCC)[n-]1 ZINC000276755315 1186018921 /nfs/dbraw/zinc/01/89/21/1186018921.db2.gz HBCXLTWMJXEIPI-UHFFFAOYSA-N -1 3 379.373 0.288 20 0 GCADHM Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCCn1cnnn1 ZINC001707906326 1186135555 /nfs/dbraw/zinc/13/55/55/1186135555.db2.gz VSSZLFIFAXQHLW-UHFFFAOYSA-N -1 3 397.443 0.331 20 0 GCADHM CC[C@@H](NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1)C(N)=O ZINC001691421647 1186219662 /nfs/dbraw/zinc/21/96/62/1186219662.db2.gz KTRPNQPHVLOHMC-SPWCGHHHSA-N -1 3 375.473 0.978 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000029845088 1186290384 /nfs/dbraw/zinc/29/03/84/1186290384.db2.gz OYYFCFJQRIODPH-GXFFZTMASA-N -1 3 381.458 0.886 20 0 GCADHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(=O)NCCN3CCOCC3)c2)n1 ZINC000048634971 1186295045 /nfs/dbraw/zinc/29/50/45/1186295045.db2.gz ZICZTMQIORWOBV-UHFFFAOYSA-N -1 3 399.451 0.386 20 0 GCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000277264554 1186310637 /nfs/dbraw/zinc/31/06/37/1186310637.db2.gz GMXVGHSBKLUGLQ-GFCCVEGCSA-N -1 3 375.454 0.817 20 0 GCADHM CC(C)(C)C(=O)Nc1ccc(CN2CC[C@@H](CO)C2)nc1N[C@@H]1CO[N-]C1=O ZINC001167510972 1186355611 /nfs/dbraw/zinc/35/56/11/1186355611.db2.gz KTGUPZYIODRNNA-IUODEOHRSA-N -1 3 391.472 0.722 20 0 GCADHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000548632883 1186360740 /nfs/dbraw/zinc/36/07/40/1186360740.db2.gz CNDCTSJRNLDMRF-UHFFFAOYSA-N -1 3 384.352 0.673 20 0 GCADHM O=C(NCC1(N2CCOCC2)CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000277425995 1186377488 /nfs/dbraw/zinc/37/74/88/1186377488.db2.gz LMZXQWCBTWZOCX-UHFFFAOYSA-N -1 3 388.468 0.724 20 0 GCADHM O=C(NCC1(N2CCOCC2)CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000277446072 1186385942 /nfs/dbraw/zinc/38/59/42/1186385942.db2.gz JWLQRJPOGDESGE-UHFFFAOYSA-N -1 3 388.468 0.724 20 0 GCADHM Cc1ncc2n1CC[C@H](C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C)C2 ZINC000582391698 1186514968 /nfs/dbraw/zinc/51/49/68/1186514968.db2.gz RSWPEDYTDCIGNN-NSHDSACASA-N -1 3 399.498 0.319 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)CCSCC(=O)OC)CC2)[n-]1 ZINC000277597633 1186530078 /nfs/dbraw/zinc/53/00/78/1186530078.db2.gz DYAXUSIHDIMVRO-UHFFFAOYSA-N -1 3 384.458 0.984 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)CCSCC(=O)OC)CC2)n[n-]1 ZINC000277597633 1186530084 /nfs/dbraw/zinc/53/00/84/1186530084.db2.gz DYAXUSIHDIMVRO-UHFFFAOYSA-N -1 3 384.458 0.984 20 0 GCADHM Cc1nc(C)c(CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C)O4)C[C@H]32)c(=O)[n-]1 ZINC000972224681 1186555452 /nfs/dbraw/zinc/55/54/52/1186555452.db2.gz AENBEESYFVEDFC-MDNXKNQGSA-N -1 3 388.468 0.968 20 0 GCADHM CCC[C@H](O)[C@@H](CO)NC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000413512947 1186598175 /nfs/dbraw/zinc/59/81/75/1186598175.db2.gz LHONNFUOHKLHBD-OLZOCXBDSA-N -1 3 395.428 0.064 20 0 GCADHM C[C@]1(CCc2ccccc2)NC(=O)N([N-]S(=O)(=O)C[C@H]2CCCO2)C1=O ZINC000277818112 1186622299 /nfs/dbraw/zinc/62/22/99/1186622299.db2.gz ZTGGTQLCRKDECQ-RHSMWYFYSA-N -1 3 381.454 0.943 20 0 GCADHM C[C@]1(CCc2ccccc2)NC(=O)N([N-]S(=O)(=O)C[C@@H]2CCCO2)C1=O ZINC000277818114 1186622493 /nfs/dbraw/zinc/62/24/93/1186622493.db2.gz ZTGGTQLCRKDECQ-WMLDXEAASA-N -1 3 381.454 0.943 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)NCCC(=O)NC(C)C)CC2)[n-]1 ZINC000277887196 1186664380 /nfs/dbraw/zinc/66/43/80/1186664380.db2.gz WPCYYSKFGOLMSW-UHFFFAOYSA-N -1 3 380.449 0.785 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)NCCC(=O)NC(C)C)CC2)n[n-]1 ZINC000277887196 1186664382 /nfs/dbraw/zinc/66/43/82/1186664382.db2.gz WPCYYSKFGOLMSW-UHFFFAOYSA-N -1 3 380.449 0.785 20 0 GCADHM COC(=O)CNC(=O)Cc1ccc(-n2c([O-])c(CC(F)(F)F)[nH]c2=O)cc1 ZINC000277927357 1186707430 /nfs/dbraw/zinc/70/74/30/1186707430.db2.gz FNGCKOZDTBOUCL-LLVKDONJSA-N -1 3 387.314 0.896 20 0 GCADHM Cc1cc(CNC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)ncn1 ZINC000685050014 1186728803 /nfs/dbraw/zinc/72/88/03/1186728803.db2.gz ODKDGMSMBCVEES-UHFFFAOYSA-N -1 3 385.396 0.841 20 0 GCADHM CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)Nc3c(C)noc3C)CC2)[n-]1 ZINC000278016302 1186748263 /nfs/dbraw/zinc/74/82/63/1186748263.db2.gz AAPJQBRKILPPFM-UHFFFAOYSA-N -1 3 390.400 0.931 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)C(=O)Nc3c(C)noc3C)CC2)n[n-]1 ZINC000278016302 1186748266 /nfs/dbraw/zinc/74/82/66/1186748266.db2.gz AAPJQBRKILPPFM-UHFFFAOYSA-N -1 3 390.400 0.931 20 0 GCADHM COC(=O)[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CCO1 ZINC000728540140 1186756924 /nfs/dbraw/zinc/75/69/24/1186756924.db2.gz UJTZKJWPEIRABG-ZDUSSCGKSA-N -1 3 388.417 0.526 20 0 GCADHM CCN1CCN(C[C@H](C)CNc2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC1 ZINC000583207979 1186796177 /nfs/dbraw/zinc/79/61/77/1186796177.db2.gz XVWDZWDPGOXQSS-CYBMUJFWSA-N -1 3 384.502 0.718 20 0 GCADHM COC(=O)c1c(F)ccc(NC(=O)C(=O)NCc2cnc(C)[n-]c2=O)c1C ZINC000583255870 1186809007 /nfs/dbraw/zinc/80/90/07/1186809007.db2.gz GRWFNMPFCJVEHC-UHFFFAOYSA-N -1 3 376.344 0.980 20 0 GCADHM CCc1n[n-]c(S(=O)(=O)CC(=O)N2CCc3cc(OC)c(OC)cc3C2)n1 ZINC000278256480 1186857162 /nfs/dbraw/zinc/85/71/62/1186857162.db2.gz VRYWYHUIMYEDOO-UHFFFAOYSA-N -1 3 394.453 0.743 20 0 GCADHM CCc1nnc(S(=O)(=O)CC(=O)N2CCc3cc(OC)c(OC)cc3C2)[n-]1 ZINC000278256480 1186857164 /nfs/dbraw/zinc/85/71/64/1186857164.db2.gz VRYWYHUIMYEDOO-UHFFFAOYSA-N -1 3 394.453 0.743 20 0 GCADHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3COC4)[C@@H]2C1 ZINC000972539100 1186923725 /nfs/dbraw/zinc/92/37/25/1186923725.db2.gz CTQHIXXHHAMRRW-DINUWMAGSA-N -1 3 384.436 0.769 20 0 GCADHM CCOC(=O)[C@H]([N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C1CCOCC1 ZINC000536156981 1186957991 /nfs/dbraw/zinc/95/79/91/1186957991.db2.gz FJIKYMAVFJYOAC-CQSZACIVSA-N -1 3 392.474 0.064 20 0 GCADHM CCOCCOC[C@H](O)CNc1c(C(=O)[O-])cnc2cc3c(cc21)OCO3 ZINC000583937141 1186964261 /nfs/dbraw/zinc/96/42/61/1186964261.db2.gz AYGLBXIPNJCLDP-LLVKDONJSA-N -1 3 378.381 0.910 20 0 GCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cnn(CCO[C@H]2CCCCO2)c1C ZINC000536191400 1186980598 /nfs/dbraw/zinc/98/05/98/1186980598.db2.gz HXJHPPASTQOJTL-HOCLYGCPSA-N -1 3 377.445 0.977 20 0 GCADHM COC(=O)c1cnc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[n-]1 ZINC000278680608 1187016946 /nfs/dbraw/zinc/01/69/46/1187016946.db2.gz OYHVOZANAHIVMV-UHFFFAOYSA-N -1 3 395.441 0.270 20 0 GCADHM COC(=O)c1ccc(S(=O)(=O)[N-]CC2(OCCO)CCOCC2)c(F)c1 ZINC000548825222 1187041735 /nfs/dbraw/zinc/04/17/35/1187041735.db2.gz MEWMPVRBGPRKQT-UHFFFAOYSA-N -1 3 391.417 0.449 20 0 GCADHM COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000139748867 1187079092 /nfs/dbraw/zinc/07/90/92/1187079092.db2.gz YNLLYGOEIBHNNG-RYUDHWBXSA-N -1 3 388.424 0.965 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)cc1 ZINC000143337785 1187081860 /nfs/dbraw/zinc/08/18/60/1187081860.db2.gz ZCXRPVXALPEGJJ-UHFFFAOYSA-N -1 3 395.375 0.543 20 0 GCADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ncnn2CC(F)F)ccc1F ZINC000278779932 1187138556 /nfs/dbraw/zinc/13/85/56/1187138556.db2.gz PNODMIQGZXFQPH-UHFFFAOYSA-N -1 3 391.375 0.863 20 0 GCADHM COC(=O)c1cncc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000511301712 1187149244 /nfs/dbraw/zinc/14/92/44/1187149244.db2.gz ROILCYHKUJGWST-VIFPVBQESA-N -1 3 382.398 0.779 20 0 GCADHM Cn1ccc(CNCc2cc(=O)[n-]c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n2)n1 ZINC001087258308 1187159863 /nfs/dbraw/zinc/15/98/63/1187159863.db2.gz DXNHNWPIAMYNHT-JSEZXORMSA-N -1 3 384.440 0.245 20 0 GCADHM Cc1cc(CNCc2cc(=O)[n-]c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n2)ncn1 ZINC001087258469 1187162512 /nfs/dbraw/zinc/16/25/12/1187162512.db2.gz MGPKILSCUIAIGR-LCEIHVTHSA-N -1 3 396.451 0.610 20 0 GCADHM Cc1nonc1CNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)n1 ZINC001087258591 1187167797 /nfs/dbraw/zinc/16/77/97/1187167797.db2.gz RHZNCCLXFSUVIC-CJYCNLPLSA-N -1 3 386.412 0.203 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])C[C@H]1O)[C@@H]1C[C@H]1C1CC1 ZINC001023926137 1187173508 /nfs/dbraw/zinc/17/35/08/1187173508.db2.gz XDDHSVUPXWHYEM-SJXGUFTOSA-N -1 3 382.420 0.683 20 0 GCADHM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1O ZINC001023938458 1187177758 /nfs/dbraw/zinc/17/77/58/1187177758.db2.gz PZRFIMJPFQFCEM-XOSAIJSUSA-N -1 3 382.420 0.596 20 0 GCADHM CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000685637293 1187190146 /nfs/dbraw/zinc/19/01/46/1187190146.db2.gz FQRHFISDDHIXES-NVXWUHKLSA-N -1 3 396.455 0.902 20 0 GCADHM CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000685637293 1187190149 /nfs/dbraw/zinc/19/01/49/1187190149.db2.gz FQRHFISDDHIXES-NVXWUHKLSA-N -1 3 396.455 0.902 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@@H](C)C2(CO)CC2)cc1OC ZINC000658458884 1187308866 /nfs/dbraw/zinc/30/88/66/1187308866.db2.gz BVGVHUSDIOYXEQ-NSHDSACASA-N -1 3 399.469 0.673 20 0 GCADHM O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001024203605 1187341507 /nfs/dbraw/zinc/34/15/07/1187341507.db2.gz GNXDWNTYRAOQHY-WMHQRMGPSA-N -1 3 386.452 0.797 20 0 GCADHM COCCN1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)C1 ZINC000685716422 1187343317 /nfs/dbraw/zinc/34/33/17/1187343317.db2.gz MMNUWOPIVYULOB-LBPRGKRZSA-N -1 3 391.440 0.470 20 0 GCADHM CN(C[C@@H]1C[C@H](F)CN1C(=O)c1[nH]c(=O)[n-]c(=O)c1N)C(=O)OC(C)(C)C ZINC000375865751 1187458466 /nfs/dbraw/zinc/45/84/66/1187458466.db2.gz JFSSPPDMNQXHGS-IUCAKERBSA-N -1 3 385.396 0.890 20 0 GCADHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N[C@H](CO)CN1CCCCC1 ZINC000413800650 1187520059 /nfs/dbraw/zinc/52/00/59/1187520059.db2.gz CDALLEPOJPCWOW-LBPRGKRZSA-N -1 3 391.440 0.206 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000685786475 1187533793 /nfs/dbraw/zinc/53/37/93/1187533793.db2.gz RINGFZJFDARKCB-AWEZNQCLSA-N -1 3 398.485 0.477 20 0 GCADHM Cc1ncc(CNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)c(=O)[n-]1 ZINC000472495399 1187654291 /nfs/dbraw/zinc/65/42/91/1187654291.db2.gz GCPQXFZVOGBUFK-OAHLLOKOSA-N -1 3 386.330 0.739 20 0 GCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2C)cc1OC ZINC000472511923 1187669614 /nfs/dbraw/zinc/66/96/14/1187669614.db2.gz CGVBDGPPVBMYSI-JQWIXIFHSA-N -1 3 385.442 0.377 20 0 GCADHM Cc1cccc(CS(=O)(=O)[N-]C2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)c1 ZINC000376344543 1187779716 /nfs/dbraw/zinc/77/97/16/1187779716.db2.gz RYWGZRMICHJVKT-UHFFFAOYSA-N -1 3 383.470 0.889 20 0 GCADHM CCc1n[n-]c(S(=O)(=O)[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000175632983 1187808077 /nfs/dbraw/zinc/80/80/77/1187808077.db2.gz GZUGWSDCOBEPEK-ZDUSSCGKSA-N -1 3 377.470 0.878 20 0 GCADHM CCc1nnc(S(=O)(=O)[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)[n-]1 ZINC000175632983 1187808080 /nfs/dbraw/zinc/80/80/80/1187808080.db2.gz GZUGWSDCOBEPEK-ZDUSSCGKSA-N -1 3 377.470 0.878 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000007631514 1187843293 /nfs/dbraw/zinc/84/32/93/1187843293.db2.gz BTEUEYGSRVRGJI-ZWNOBZJWSA-N -1 3 387.458 0.808 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C[C@H]1O ZINC001025170649 1187905372 /nfs/dbraw/zinc/90/53/72/1187905372.db2.gz RNERNRCHNJFTAS-REWJHTLYSA-N -1 3 388.449 0.657 20 0 GCADHM Cc1nc(C)c(CC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c(=O)[n-]1 ZINC000031276746 1187932631 /nfs/dbraw/zinc/93/26/31/1187932631.db2.gz GLHHLYNLHRGWAP-UHFFFAOYSA-N -1 3 398.419 0.643 20 0 GCADHM O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000973484142 1187970571 /nfs/dbraw/zinc/97/05/71/1187970571.db2.gz UBNKTWNUKZRSFS-YUYCFUFASA-N -1 3 395.415 0.371 20 0 GCADHM C[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001025749530 1188038198 /nfs/dbraw/zinc/03/81/98/1188038198.db2.gz XEJIIRRTUJNAJZ-PRBJMDPQSA-N -1 3 386.408 0.062 20 0 GCADHM O=C(CCN1CCC[C@H](c2n[nH]c(=O)[n-]2)C1)N1CCN(c2ncccn2)CC1 ZINC000377597547 1188085366 /nfs/dbraw/zinc/08/53/66/1188085366.db2.gz JWZBPDATZJXNGA-AWEZNQCLSA-N -1 3 386.460 0.219 20 0 GCADHM Cc1ccc(N2CCC[C@@H]([N-]S(=O)(=O)C[C@@H]3CN(C)CCO3)C2=O)cc1 ZINC000866882570 1188148315 /nfs/dbraw/zinc/14/83/15/1188148315.db2.gz RYSHLZAMNNTKIB-DLBZAZTESA-N -1 3 381.498 0.740 20 0 GCADHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C)[C@H](O)C(F)(F)F ZINC000644745449 1189437083 /nfs/dbraw/zinc/43/70/83/1189437083.db2.gz SPZDNOHCSJJION-MFKMUULPSA-N -1 3 392.378 0.688 20 0 GCADHM CC(C)O[C@@]1(CS(=O)(=O)[N-]Cc2nnnn2-c2ccccc2)CCOC1 ZINC000659905861 1189442262 /nfs/dbraw/zinc/44/22/62/1189442262.db2.gz RQRRVJUVHYZXBV-INIZCTEOSA-N -1 3 381.458 0.666 20 0 GCADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCN(c2cnn(C)c2)C1 ZINC000378220730 1189445795 /nfs/dbraw/zinc/44/57/95/1189445795.db2.gz FIZIFEQMDREYSA-GFCCVEGCSA-N -1 3 382.417 0.903 20 0 GCADHM O=C(CNC(=O)c1cnc2n1CCCC2)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000378229247 1189448659 /nfs/dbraw/zinc/44/86/59/1189448659.db2.gz OFOMTFMLKWJRQZ-UHFFFAOYSA-N -1 3 382.380 0.942 20 0 GCADHM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000378227022 1189448769 /nfs/dbraw/zinc/44/87/69/1189448769.db2.gz HGTRMUDXWSDWIB-KBPBESRZSA-N 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3 377.220 0.484 20 0 GCADHM COc1ccc(S(=O)(=O)N2CCC(=O)N(CCN(C)C)CC2)cc1C(=O)[O-] ZINC001185298795 1205920739 /nfs/dbraw/zinc/92/07/39/1205920739.db2.gz VHZNBQLGPKBXKJ-UHFFFAOYSA-N -1 3 399.469 0.178 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC001185573229 1205924212 /nfs/dbraw/zinc/92/42/12/1205924212.db2.gz KINPKZXPDFLUHB-GFCCVEGCSA-N -1 3 377.348 0.802 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC001185573229 1205924213 /nfs/dbraw/zinc/92/42/13/1205924213.db2.gz KINPKZXPDFLUHB-GFCCVEGCSA-N -1 3 377.348 0.802 20 0 GCADHM O=C1NCCCC12CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001185588875 1205924948 /nfs/dbraw/zinc/92/49/48/1205924948.db2.gz HEDIKVKPBBOUGY-UHFFFAOYSA-N -1 3 376.442 0.548 20 0 GCADHM O=C1NCCCC12CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185588875 1205924949 /nfs/dbraw/zinc/92/49/49/1205924949.db2.gz HEDIKVKPBBOUGY-UHFFFAOYSA-N -1 3 376.442 0.548 20 0 GCADHM O=C1NCCC2(CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)O1 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/nfs/dbraw/zinc/92/50/46/1205925046.db2.gz QJBOMPJJMUQMNC-CYBMUJFWSA-N -1 3 394.457 0.173 20 0 GCADHM Cc1cncnc1O[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185591496 1205925174 /nfs/dbraw/zinc/92/51/74/1205925174.db2.gz BLKRYOVNCMOWQZ-ZDUSSCGKSA-N -1 3 387.425 0.807 20 0 GCADHM Cc1cncnc1O[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185591496 1205925176 /nfs/dbraw/zinc/92/51/76/1205925176.db2.gz BLKRYOVNCMOWQZ-ZDUSSCGKSA-N -1 3 387.425 0.807 20 0 GCADHM Cc1nccnc1O[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185591776 1205925183 /nfs/dbraw/zinc/92/51/83/1205925183.db2.gz DYADEBMBODIVJS-ZDUSSCGKSA-N -1 3 387.425 0.807 20 0 GCADHM Cc1nccnc1O[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185591776 1205925184 /nfs/dbraw/zinc/92/51/84/1205925184.db2.gz DYADEBMBODIVJS-ZDUSSCGKSA-N -1 3 387.425 0.807 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1Cc2ccnn2CC[C@H]1CO ZINC001185592980 1205925243 /nfs/dbraw/zinc/92/52/43/1205925243.db2.gz OKYXQZRXBIRBBE-ZDUSSCGKSA-N -1 3 375.414 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ZINC001185613828 1205925687 /nfs/dbraw/zinc/92/56/87/1205925687.db2.gz PCPIJPOPXYHGCL-ZDUSSCGKSA-N -1 3 386.437 0.401 20 0 GCADHM Cn1c(=O)ccc2c1CC[C@H](NS(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)C2 ZINC001185613828 1205925688 /nfs/dbraw/zinc/92/56/88/1205925688.db2.gz PCPIJPOPXYHGCL-ZDUSSCGKSA-N -1 3 386.437 0.401 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185613640 1205925741 /nfs/dbraw/zinc/92/57/41/1205925741.db2.gz UUXOWRNWCKPUAM-UHFFFAOYSA-N -1 3 392.423 0.518 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cccc(N2CCCNC(=O)C2)n1 ZINC001185613640 1205925743 /nfs/dbraw/zinc/92/57/43/1205925743.db2.gz UUXOWRNWCKPUAM-UHFFFAOYSA-N -1 3 392.423 0.518 20 0 GCADHM O=S(=O)(N[C@@H]1CCC[C@@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628519 1205926032 /nfs/dbraw/zinc/92/60/32/1205926032.db2.gz RIRGXLUHSQGDPO-CABCVRRESA-N -1 3 378.458 0.398 20 0 GCADHM O=S(=O)(N[C@@H]1CCC[C@@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628519 1205926034 /nfs/dbraw/zinc/92/60/34/1205926034.db2.gz RIRGXLUHSQGDPO-CABCVRRESA-N -1 3 378.458 0.398 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001185581809 1205926114 /nfs/dbraw/zinc/92/61/14/1205926114.db2.gz CKUMXSFLMGBAFE-GASCZTMLSA-N -1 3 390.469 0.350 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001185581809 1205926116 /nfs/dbraw/zinc/92/61/16/1205926116.db2.gz CKUMXSFLMGBAFE-GASCZTMLSA-N -1 3 390.469 0.350 20 0 GCADHM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC001185631469 1205926175 /nfs/dbraw/zinc/92/61/75/1205926175.db2.gz HVHMWUQOGBNADG-AWEZNQCLSA-N -1 3 388.409 0.844 20 0 GCADHM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC001185631469 1205926176 /nfs/dbraw/zinc/92/61/76/1205926176.db2.gz HVHMWUQOGBNADG-AWEZNQCLSA-N -1 3 388.409 0.844 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185631528 1205926235 /nfs/dbraw/zinc/92/62/35/1205926235.db2.gz KKXZSVKPHMAHQM-GFCCVEGCSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185631528 1205926236 /nfs/dbraw/zinc/92/62/36/1205926236.db2.gz KKXZSVKPHMAHQM-GFCCVEGCSA-N -1 3 378.458 0.792 20 0 GCADHM O=C(c1ccncc1)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185631313 1205926309 /nfs/dbraw/zinc/92/63/09/1205926309.db2.gz DSEGQIZZNFIKEP-CQSZACIVSA-N -1 3 399.436 0.455 20 0 GCADHM O=C(c1ccncc1)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185631313 1205926310 /nfs/dbraw/zinc/92/63/10/1205926310.db2.gz DSEGQIZZNFIKEP-CQSZACIVSA-N -1 3 399.436 0.455 20 0 GCADHM O=C(c1cccnc1)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185632399 1205926363 /nfs/dbraw/zinc/92/63/63/1205926363.db2.gz XPIGQEBRGMYTFN-CQSZACIVSA-N -1 3 399.436 0.455 20 0 GCADHM O=C(c1cccnc1)N1CC[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185632399 1205926364 /nfs/dbraw/zinc/92/63/64/1205926364.db2.gz XPIGQEBRGMYTFN-CQSZACIVSA-N -1 3 399.436 0.455 20 0 GCADHM COc1ncnc(OC)c1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185621609 1205926794 /nfs/dbraw/zinc/92/67/94/1205926794.db2.gz ANGZLBRCLPMWMC-UHFFFAOYSA-N -1 3 377.386 0.152 20 0 GCADHM COc1ncnc(OC)c1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185621609 1205926795 /nfs/dbraw/zinc/92/67/95/1205926795.db2.gz ANGZLBRCLPMWMC-UHFFFAOYSA-N -1 3 377.386 0.152 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC001185624349 1205927273 /nfs/dbraw/zinc/92/72/73/1205927273.db2.gz RYPJOFAQLFHSRR-UHFFFAOYSA-N -1 3 378.458 0.842 20 0 GCADHM O=C(NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001185624349 1205927274 /nfs/dbraw/zinc/92/72/74/1205927274.db2.gz RYPJOFAQLFHSRR-UHFFFAOYSA-N -1 3 378.458 0.842 20 0 GCADHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC(=O)N(CCN(C)C)CC1 ZINC001185897776 1205931731 /nfs/dbraw/zinc/93/17/31/1205931731.db2.gz PEFXWZWSLFETJK-UHFFFAOYSA-N -1 3 383.470 0.478 20 0 GCADHM Cn1cnnc1S(=O)(=O)[N-]Cc1ccccc1S(=O)(=O)NC(C)(C)C ZINC001185958191 1205932847 /nfs/dbraw/zinc/93/28/47/1205932847.db2.gz ZFAWVURXCWIGPY-UHFFFAOYSA-N -1 3 387.487 0.370 20 0 GCADHM COCCO[C@@H]1C[C@H](CO)CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000774977780 1205935623 /nfs/dbraw/zinc/93/56/23/1205935623.db2.gz XCUDFGFWMOJBEQ-VHSXEESVSA-N -1 3 381.355 0.379 20 0 GCADHM C[C@@H]([N-]S(=O)(=O)c1cn(C)nc1Br)C(=O)NCc1ccco1 ZINC001186260838 1205936974 /nfs/dbraw/zinc/93/69/74/1205936974.db2.gz DTDRKBWOUBUPED-MRVPVSSYSA-N -1 3 391.247 0.759 20 0 GCADHM COC(=O)C1([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)COC1 ZINC001186352777 1205938340 /nfs/dbraw/zinc/93/83/40/1205938340.db2.gz OSTJVQZFZRUCOZ-UHFFFAOYSA-N -1 3 385.623 0.718 20 0 GCADHM O=C1CC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C(=O)N1 ZINC001186351421 1205938375 /nfs/dbraw/zinc/93/83/75/1205938375.db2.gz XXULWBGCCXNKCA-SSDOTTSWSA-N -1 3 382.623 0.581 20 0 GCADHM C[C@@]1([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCC(=O)NC1=O ZINC001186356275 1205938521 /nfs/dbraw/zinc/93/85/21/1205938521.db2.gz GFANJTAVRKVALO-LLVKDONJSA-N -1 3 396.650 0.971 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 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OVEIELYMDXRARL-LLVKDONJSA-N -1 3 379.236 0.168 20 0 GCADHM CCN1C[C@H](S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1=O ZINC001187164873 1205957409 /nfs/dbraw/zinc/95/74/09/1205957409.db2.gz VPGBHBXSJOZMKR-ZIAGYGMSSA-N -1 3 385.873 0.986 20 0 GCADHM Cc1oncc1S(=O)(=O)[N-]C1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001187411827 1205962378 /nfs/dbraw/zinc/96/23/78/1205962378.db2.gz OOGJEFAFCZYBOA-UHFFFAOYSA-N -1 3 386.455 0.510 20 0 GCADHM Cc1oncc1S(=O)(=O)[N-]C[C@H]1Cn2nnc(-c3cccnc3)c2CO1 ZINC001187389796 1205962535 /nfs/dbraw/zinc/96/25/35/1205962535.db2.gz WZZQHPLTJSOVGX-LBPRGKRZSA-N -1 3 376.398 0.514 20 0 GCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@H]2CC[C@@H](C3CC3)O2)C(=O)N1c1cnn(C)c1 ZINC001187573986 1205966032 /nfs/dbraw/zinc/96/60/32/1205966032.db2.gz VABGDKPNIODHKS-FWYOQMDTSA-N -1 3 382.486 0.791 20 0 GCADHM Cn1c(=O)cc(NC(=O)c2nn[n-]c2C(F)(F)F)n(-c2ccccc2)c1=O ZINC001187770636 1205967666 /nfs/dbraw/zinc/96/76/66/1205967666.db2.gz ONHKAEGVOPVHAP-UHFFFAOYSA-N -1 3 380.286 0.925 20 0 GCADHM Cn1c(=O)cc(NC(=O)c2[n-]nnc2C(F)(F)F)n(-c2ccccc2)c1=O ZINC001187770636 1205967668 /nfs/dbraw/zinc/96/76/68/1205967668.db2.gz ONHKAEGVOPVHAP-UHFFFAOYSA-N -1 3 380.286 0.925 20 0 GCADHM NC(=O)C1([N-]S(=O)(=O)c2nccs2)CCN(Cc2ccccc2)CC1 ZINC001187917689 1205971162 /nfs/dbraw/zinc/97/11/62/1205971162.db2.gz FVDTVNVVAYUKPO-UHFFFAOYSA-N -1 3 380.495 0.942 20 0 GCADHM COC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188088277 1205975213 /nfs/dbraw/zinc/97/52/13/1205975213.db2.gz BSRZHMUYJCVHEV-BQBZGAKWSA-N -1 3 384.241 0.733 20 0 GCADHM CC(C)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)NCC(N)=O ZINC001188098072 1205975386 /nfs/dbraw/zinc/97/53/86/1205975386.db2.gz YAULEFLCUWELSK-JTQLQIEISA-N -1 3 397.284 0.683 20 0 GCADHM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCOc1ncccc1C(F)(F)F ZINC001188373112 1205981207 /nfs/dbraw/zinc/98/12/07/1205981207.db2.gz MCPCGMDIPVUALL-QHCPKHFHSA-N -1 3 390.409 0.888 20 0 GCADHM Cn1ncc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)OC(C)(C)C)c1Br ZINC001189090171 1205996063 /nfs/dbraw/zinc/99/60/63/1205996063.db2.gz YQUGPEABEDJBBI-LBPRGKRZSA-N -1 3 398.279 0.554 20 0 GCADHM C[C@H]1C[C@H](CS(=O)(=O)[N-]C2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)CCO1 ZINC001189185661 1205998599 /nfs/dbraw/zinc/99/85/99/1205998599.db2.gz LBLGRDNCRWSIMZ-NWDGAFQWSA-N -1 3 391.490 0.196 20 0 GCADHM COC(=O)C1([N-]S(=O)(=O)CCCC(C)(F)F)CCS(=O)(=O)CC1 ZINC001189630405 1206012759 /nfs/dbraw/zinc/01/27/59/1206012759.db2.gz VWTZSEOOXJKYGD-UHFFFAOYSA-N -1 3 377.431 0.462 20 0 GCADHM CNC(=O)[C@H](NC(=O)CSc1nc2c(cnn2C)c(=O)[n-]1)c1ccccc1 ZINC001189737568 1206015452 /nfs/dbraw/zinc/01/54/52/1206015452.db2.gz IJPHSDBQFJYNLU-CYBMUJFWSA-N -1 3 386.437 0.765 20 0 GCADHM COc1ncc(S(=O)(=O)[N-]Cc2ccc(S(=O)(=O)CCO)cc2)s1 ZINC001189863272 1206017692 /nfs/dbraw/zinc/01/76/92/1206017692.db2.gz GANBWFOTSVDBET-UHFFFAOYSA-N -1 3 392.480 0.396 20 0 GCADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](CO)Cc1ccc(F)cc1 ZINC001189871725 1206018142 /nfs/dbraw/zinc/01/81/42/1206018142.db2.gz JFGHQSANIOPQRQ-CYBMUJFWSA-N -1 3 385.417 0.916 20 0 GCADHM COC(=O)[C@H](Cc1cccc(S(C)(=O)=O)c1)[N-]S(=O)(=O)CCCF ZINC001189938547 1206022967 /nfs/dbraw/zinc/02/29/67/1206022967.db2.gz ROFLNFVAHZYGQZ-ZDUSSCGKSA-N -1 3 381.447 0.453 20 0 GCADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC1(S(C)(=O)=O)CCCC1 ZINC001190052217 1206024326 /nfs/dbraw/zinc/02/43/26/1206024326.db2.gz FVPNTKVYIQZOLN-UHFFFAOYSA-N -1 3 393.487 0.531 20 0 GCADHM COc1nc(S(=O)(=O)[N-]Cc2ccc(S(C)(=O)=O)cn2)ccc1F ZINC001190108132 1206025331 /nfs/dbraw/zinc/02/53/31/1206025331.db2.gz NHEICZYQHOZXHA-UHFFFAOYSA-N -1 3 375.403 0.506 20 0 GCADHM CCn1c(N)c(NC(=O)c2c([O-])cc(OC)cc2OC)c(=O)n(CC)c1=O ZINC001190144032 1206026596 /nfs/dbraw/zinc/02/65/96/1206026596.db2.gz CJYRNHURAFPRHJ-UHFFFAOYSA-N -1 3 378.385 0.607 20 0 GCADHM CCS(=O)(=O)N1CCC([N-]S(=O)(=O)c2ccc(F)c(OC)n2)CC1 ZINC001190111220 1206027196 /nfs/dbraw/zinc/02/71/96/1206027196.db2.gz HQMOJXVYHFVGPL-UHFFFAOYSA-N -1 3 381.451 0.322 20 0 GCADHM COCCC1([N-]S(=O)(=O)c2ccc(F)c(OC)n2)CCS(=O)(=O)CC1 ZINC001190128064 1206027454 /nfs/dbraw/zinc/02/74/54/1206027454.db2.gz ZMUQYNBZAHGOQQ-UHFFFAOYSA-N -1 3 396.462 0.492 20 0 GCADHM COCCOCCOCCOCC[N-]S(=O)(=O)c1ccc(F)c(OC)n1 ZINC001190121981 1206027497 /nfs/dbraw/zinc/02/74/97/1206027497.db2.gz XSXMBEWGWKXURR-UHFFFAOYSA-N -1 3 396.437 0.204 20 0 GCADHM COc1nc(S(=O)(=O)[N-]C2CCN(S(=O)(=O)C(C)C)CC2)ccc1F ZINC001190118900 1206027614 /nfs/dbraw/zinc/02/76/14/1206027614.db2.gz WNHCFCBXUROLPU-UHFFFAOYSA-N -1 3 395.478 0.710 20 0 GCADHM CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([N-]S(=O)(=O)c2ccc(F)c(OC)n2)C1 ZINC001190130791 1206028034 /nfs/dbraw/zinc/02/80/34/1206028034.db2.gz CRLBKTWCCPROQL-USWWRNFRSA-N -1 3 376.406 0.600 20 0 GCADHM COC(=O)[C@H](CCCC[N-]S(=O)(=O)c1ccc(F)c(OC)n1)NC(C)=O ZINC001190131178 1206028172 /nfs/dbraw/zinc/02/81/72/1206028172.db2.gz FMPTWJUYGFESOL-LBPRGKRZSA-N -1 3 391.421 0.356 20 0 GCADHM CN(c1ncccc1C[N-]S(=O)(=O)c1ncc(F)cc1F)S(C)(=O)=O ZINC001190196680 1206029447 /nfs/dbraw/zinc/02/94/47/1206029447.db2.gz LWUATLSNZVFBSS-UHFFFAOYSA-N -1 3 392.409 0.629 20 0 GCADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC001190383846 1206033365 /nfs/dbraw/zinc/03/33/65/1206033365.db2.gz MNDVTTMXGJZMMT-YPMHNXCESA-N -1 3 397.457 0.827 20 0 GCADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)[C@@H](C)O ZINC001190594512 1206039920 /nfs/dbraw/zinc/03/99/20/1206039920.db2.gz ZQKYJCSMERBCDX-PRHODGIISA-N -1 3 379.818 0.717 20 0 GCADHM O=S(=O)(c1ncc[n-]1)N1CC[C@@H]2CN(Cc3ccncc3)CCO[C@@H]2C1 ZINC001190705460 1206042818 /nfs/dbraw/zinc/04/28/18/1206042818.db2.gz NJTVVRFHEVBCLO-HZPDHXFCSA-N -1 3 377.470 0.716 20 0 GCADHM CCOCc1nc([C@@H](C)[N-]S(=O)(=O)CCC(C)(C)S(C)(=O)=O)no1 ZINC001190898133 1206050115 /nfs/dbraw/zinc/05/01/15/1206050115.db2.gz KFKKVHCGLCLWSA-SNVBAGLBSA-N -1 3 383.492 0.800 20 0 GCADHM CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)c3ccc(=O)[n-]c3Cl)C2)C1 ZINC001190907795 1206051029 /nfs/dbraw/zinc/05/10/29/1206051029.db2.gz GBVNERDISLYPOB-GOSISDBHSA-N -1 3 396.875 0.741 20 0 GCADHM Cn1ncc(S(=O)(=O)[N-]C[C@@H]2CCCN(C(N)=O)C2)c1Br ZINC001190957275 1206052671 /nfs/dbraw/zinc/05/26/71/1206052671.db2.gz FWARICNRXDHMEG-QMMMGPOBSA-N -1 3 380.268 0.252 20 0 GCADHM Cc1nc(NC(=O)CN2CCCCCC2=O)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480058 945077313 /nfs/dbraw/zinc/07/73/13/945077313.db2.gz HGHDVUUDYDXEQA-UHFFFAOYSA-N -1 3 395.427 0.519 20 0 GCADHM Cc1nc(NC(=O)COCC(F)(F)F)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737480120 945078017 /nfs/dbraw/zinc/07/80/17/945078017.db2.gz JQNZYKJNSUTBKR-UHFFFAOYSA-N -1 3 382.306 0.695 20 0 GCADHM Cc1nc(NC(=O)[C@H]2CSCCS2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737479565 945078199 /nfs/dbraw/zinc/07/81/99/945078199.db2.gz BYAHTVAMCYLORC-GFCCVEGCSA-N -1 3 388.482 0.965 20 0 GCADHM Cc1oc(NC(=O)CN2CCN(C(C)(C)CO)CC2)c(-c2nnn[n-]2)c1C ZINC000737551163 945093075 /nfs/dbraw/zinc/09/30/75/945093075.db2.gz GDJNZLKPZFDAAN-UHFFFAOYSA-N -1 3 377.449 0.404 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)Nc1ccc2c(c1)C(=O)NCC2 ZINC000738082254 945182215 /nfs/dbraw/zinc/18/22/15/945182215.db2.gz KHOJZOIADRSTQR-UHFFFAOYSA-N -1 3 393.411 0.781 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)Nc1ccc2c(c1)C(=O)NCC2 ZINC000738082254 945182230 /nfs/dbraw/zinc/18/22/30/945182230.db2.gz KHOJZOIADRSTQR-UHFFFAOYSA-N -1 3 393.411 0.781 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N(CCO)CCc1ccccc1 ZINC000738075867 945182456 /nfs/dbraw/zinc/18/24/56/945182456.db2.gz RSCCPXQGKQOTAM-UHFFFAOYSA-N -1 3 396.455 0.920 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N(CCO)CCc1ccccc1 ZINC000738075867 945182479 /nfs/dbraw/zinc/18/24/79/945182479.db2.gz RSCCPXQGKQOTAM-UHFFFAOYSA-N -1 3 396.455 0.920 20 0 GCADHM O=C([O-])[C@@]1(NC(=O)c2ccc3nnnn3c2)CCCN(Cc2ccccc2)C1 ZINC000833128581 939222671 /nfs/dbraw/zinc/22/26/71/939222671.db2.gz JHWAHHDAZOKKSL-LJQANCHMSA-N -1 3 380.408 0.974 20 0 GCADHM CN1CCN(CCCNC(=O)N[C@]2(C(=O)[O-])CCOC2)[C@@H](c2ccccc2)C1 ZINC000908821766 939329417 /nfs/dbraw/zinc/32/94/17/939329417.db2.gz QCXCFJJRBWBFMW-YLJYHZDGSA-N -1 3 390.484 0.908 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738349106 945261906 /nfs/dbraw/zinc/26/19/06/945261906.db2.gz ZWYXYJQJGMJKKC-LBPRGKRZSA-N -1 3 393.404 0.292 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@@H](Cn2cccn2)C1 ZINC000738349106 945261916 /nfs/dbraw/zinc/26/19/16/945261916.db2.gz ZWYXYJQJGMJKKC-LBPRGKRZSA-N -1 3 393.404 0.292 20 0 GCADHM CC(=O)N1CCN([C@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000819796873 945294304 /nfs/dbraw/zinc/29/43/04/945294304.db2.gz QFRCDZMBYBYAQO-KOLCDFICSA-N -1 3 396.908 0.965 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001571257717 945342055 /nfs/dbraw/zinc/34/20/55/945342055.db2.gz HTZYDQKXFASJFJ-ABNINFQISA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001571257717 945342070 /nfs/dbraw/zinc/34/20/70/945342070.db2.gz HTZYDQKXFASJFJ-ABNINFQISA-N -1 3 385.428 0.197 20 0 GCADHM Cn1nccc1C(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571257863 945345599 /nfs/dbraw/zinc/34/55/99/945345599.db2.gz KHRQYHKEYRGUQH-LBPRGKRZSA-N -1 3 385.407 0.923 20 0 GCADHM Cn1nccc1C(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571257863 945345607 /nfs/dbraw/zinc/34/56/07/945345607.db2.gz KHRQYHKEYRGUQH-LBPRGKRZSA-N -1 3 385.407 0.923 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2=CCOCC2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571258277 945349800 /nfs/dbraw/zinc/34/98/00/945349800.db2.gz OLRODJIMOCIGDQ-FZMZJTMJSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@H]1[C@@H](NC(=O)C2=CCOCC2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571258277 945349812 /nfs/dbraw/zinc/34/98/12/945349812.db2.gz OLRODJIMOCIGDQ-FZMZJTMJSA-N -1 3 385.428 0.651 20 0 GCADHM CN(C(=O)C[C@@H]1COC(=O)C1)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571258451 945352339 /nfs/dbraw/zinc/35/23/39/945352339.db2.gz RLIFSOUPERRJSX-LBPRGKRZSA-N -1 3 385.428 0.642 20 0 GCADHM CN(C(=O)C[C@@H]1COC(=O)C1)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571258451 945352353 /nfs/dbraw/zinc/35/23/53/945352353.db2.gz RLIFSOUPERRJSX-LBPRGKRZSA-N -1 3 385.428 0.642 20 0 GCADHM CN(C(=O)C[C@H]1COC(=O)C1)C1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571258450 945353775 /nfs/dbraw/zinc/35/37/75/945353775.db2.gz RLIFSOUPERRJSX-GFCCVEGCSA-N -1 3 385.428 0.642 20 0 GCADHM CN(C(=O)C[C@H]1COC(=O)C1)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571258450 945353784 /nfs/dbraw/zinc/35/37/84/945353784.db2.gz RLIFSOUPERRJSX-GFCCVEGCSA-N -1 3 385.428 0.642 20 0 GCADHM Cn1ccc(CCC(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571258500 945356065 /nfs/dbraw/zinc/35/60/65/945356065.db2.gz TXEWKNDTFNHDMU-CYBMUJFWSA-N -1 3 385.407 0.780 20 0 GCADHM Cn1ccc(CCC(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571258500 945356073 /nfs/dbraw/zinc/35/60/73/945356073.db2.gz TXEWKNDTFNHDMU-CYBMUJFWSA-N -1 3 385.407 0.780 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@]2(CCN(C(=O)C3CC3)C2)O1 ZINC001571258578 945357497 /nfs/dbraw/zinc/35/74/97/945357497.db2.gz WNCLWHSVZRCAOE-VOJFVSQTSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@]2(CCN(C(=O)C3CC3)C2)O1 ZINC001571258578 945357508 /nfs/dbraw/zinc/35/75/08/945357508.db2.gz WNCLWHSVZRCAOE-VOJFVSQTSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@]2(CCN(C(=O)C3CC3)C2)O1 ZINC001571258579 945359458 /nfs/dbraw/zinc/35/94/58/945359458.db2.gz WNCLWHSVZRCAOE-ZMZPIMSZSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@]2(CCN(C(=O)C3CC3)C2)O1 ZINC001571258579 945359465 /nfs/dbraw/zinc/35/94/65/945359465.db2.gz WNCLWHSVZRCAOE-ZMZPIMSZSA-N -1 3 385.428 0.437 20 0 GCADHM CC(C)Cc1nc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571258761 945364205 /nfs/dbraw/zinc/36/42/05/945364205.db2.gz AXHFINILCLGOIZ-LBPRGKRZSA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)Cc1nc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571258761 945364213 /nfs/dbraw/zinc/36/42/13/945364213.db2.gz AXHFINILCLGOIZ-LBPRGKRZSA-N -1 3 385.432 0.781 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820146353 945364244 /nfs/dbraw/zinc/36/42/44/945364244.db2.gz LRKBIURYBPBJMD-UHFFFAOYSA-N -1 3 396.473 0.170 20 0 GCADHM CC(C)OCCS(=O)(=O)NCC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820146353 945364251 /nfs/dbraw/zinc/36/42/51/945364251.db2.gz LRKBIURYBPBJMD-UHFFFAOYSA-N -1 3 396.473 0.170 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)C2=CCCCCC2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571258841 945367170 /nfs/dbraw/zinc/36/71/70/945367170.db2.gz CPPLLQKVHGGFGS-HUUCEWRRSA-N -1 3 385.428 0.387 20 0 GCADHM O=C(N[C@@H]1CN(C(=O)C2=CCCCCC2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571258841 945367183 /nfs/dbraw/zinc/36/71/83/945367183.db2.gz CPPLLQKVHGGFGS-HUUCEWRRSA-N -1 3 385.428 0.387 20 0 GCADHM O=C(CC1CC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2 ZINC001571258818 945368256 /nfs/dbraw/zinc/36/82/56/945368256.db2.gz CFZWFASEOGJRQZ-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM O=C(CC1CC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001571258818 945368269 /nfs/dbraw/zinc/36/82/69/945368269.db2.gz CFZWFASEOGJRQZ-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN1CCCNC1=O ZINC001571258876 945368535 /nfs/dbraw/zinc/36/85/35/945368535.db2.gz DJJCTVCDOZWYQK-WCQYABFASA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN1CCCNC1=O ZINC001571258876 945368540 /nfs/dbraw/zinc/36/85/40/945368540.db2.gz DJJCTVCDOZWYQK-WCQYABFASA-N -1 3 385.432 0.078 20 0 GCADHM CC(=O)N1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735465188 944663370 /nfs/dbraw/zinc/66/33/70/944663370.db2.gz GVOUZLHNYXUTJI-QGZVFWFLSA-N -1 3 383.456 0.963 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H](C)N1CCOCC1 ZINC000736096906 944738574 /nfs/dbraw/zinc/73/85/74/944738574.db2.gz PGWZTNQRXRYROY-GHMZBOCLSA-N -1 3 391.407 0.170 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)[C@@H](C)N1CCOCC1 ZINC000736096906 944738578 /nfs/dbraw/zinc/73/85/78/944738578.db2.gz PGWZTNQRXRYROY-GHMZBOCLSA-N -1 3 391.407 0.170 20 0 GCADHM CCN(C(=O)COc1ccccc1-c1nnn[n-]1)[C@@H](C)CS(=O)(=O)CC ZINC000736505309 944838325 /nfs/dbraw/zinc/83/83/25/944838325.db2.gz LDXVIZZAVSSTMO-LBPRGKRZSA-N -1 3 381.458 0.917 20 0 GCADHM CCN(C(=O)COc1ccccc1-c1nn[n-]n1)[C@@H](C)CS(=O)(=O)CC ZINC000736505309 944838341 /nfs/dbraw/zinc/83/83/41/944838341.db2.gz LDXVIZZAVSSTMO-LBPRGKRZSA-N -1 3 381.458 0.917 20 0 GCADHM CCN(C(=O)COc1cccc(-c2nnn[n-]2)c1)[C@H](C)CS(=O)(=O)CC ZINC000736505403 944838900 /nfs/dbraw/zinc/83/89/00/944838900.db2.gz MYSVAYQHZKCFPH-GFCCVEGCSA-N -1 3 381.458 0.917 20 0 GCADHM CCN(C(=O)COc1cccc(-c2nn[n-]n2)c1)[C@H](C)CS(=O)(=O)CC ZINC000736505403 944838906 /nfs/dbraw/zinc/83/89/06/944838906.db2.gz MYSVAYQHZKCFPH-GFCCVEGCSA-N -1 3 381.458 0.917 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000737023376 944933093 /nfs/dbraw/zinc/93/30/93/944933093.db2.gz DNHVDZYFXZORPR-CQSZACIVSA-N -1 3 387.318 0.780 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000737023376 944933106 /nfs/dbraw/zinc/93/31/06/944933106.db2.gz DNHVDZYFXZORPR-CQSZACIVSA-N -1 3 387.318 0.780 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000737300478 945032446 /nfs/dbraw/zinc/03/24/46/945032446.db2.gz ZBSWDQHHOVGFST-AWEZNQCLSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000737300478 945032457 /nfs/dbraw/zinc/03/24/57/945032457.db2.gz ZBSWDQHHOVGFST-AWEZNQCLSA-N -1 3 389.441 0.461 20 0 GCADHM CCc1nc(CNC[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571259108 945374079 /nfs/dbraw/zinc/37/40/79/945374079.db2.gz HQXAAZCTXZKEHM-NSHDSACASA-N -1 3 385.432 0.782 20 0 GCADHM CCc1nc(CNC[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571259108 945374092 /nfs/dbraw/zinc/37/40/92/945374092.db2.gz HQXAAZCTXZKEHM-NSHDSACASA-N -1 3 385.432 0.782 20 0 GCADHM Cc1nc(N2CCO[C@H](CNC(=O)C3=CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC001571259102 945375583 /nfs/dbraw/zinc/37/55/83/945375583.db2.gz HPLPUINGFAUEEN-CQSZACIVSA-N -1 3 385.428 0.238 20 0 GCADHM Cc1nc(N2CCO[C@H](CNC(=O)C3=CCOCC3)C2)ccc1-c1nn[n-]n1 ZINC001571259102 945375593 /nfs/dbraw/zinc/37/55/93/945375593.db2.gz HPLPUINGFAUEEN-CQSZACIVSA-N -1 3 385.428 0.238 20 0 GCADHM CC(C)(C)c1nnc(CN[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001571259042 945376111 /nfs/dbraw/zinc/37/61/11/945376111.db2.gz GOCCNEZSYJTERR-PHIMTYICSA-N -1 3 385.432 0.926 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N1CCC(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571259245 945381523 /nfs/dbraw/zinc/38/15/23/945381523.db2.gz KCNPKMFWYITIQT-ZDUSSCGKSA-N -1 3 385.428 0.865 20 0 GCADHM O=C(C[C@@H]1COC(=O)C1)N1CCC(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571259245 945381533 /nfs/dbraw/zinc/38/15/33/945381533.db2.gz KCNPKMFWYITIQT-ZDUSSCGKSA-N -1 3 385.428 0.865 20 0 GCADHM CC(C)c1nnnn1CC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820211421 945384386 /nfs/dbraw/zinc/38/43/86/945384386.db2.gz MEJCTCAHRFGFHS-UHFFFAOYSA-N -1 3 396.371 0.770 20 0 GCADHM CC(C)c1nnnn1CC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820211421 945384397 /nfs/dbraw/zinc/38/43/97/945384397.db2.gz MEJCTCAHRFGFHS-UHFFFAOYSA-N -1 3 396.371 0.770 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@]23CCOC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571259429 945386049 /nfs/dbraw/zinc/38/60/49/945386049.db2.gz NEQIVWNZISFDSE-VMWDTQKESA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@H]2C[C@]23CCOC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571259429 945386055 /nfs/dbraw/zinc/38/60/55/945386055.db2.gz NEQIVWNZISFDSE-VMWDTQKESA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC1CC2(C1)CC(NC(=O)[C@H]1CCCO1)C2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259368 945386330 /nfs/dbraw/zinc/38/63/30/945386330.db2.gz MDFSCMZZAUDYIK-GIKSNMOYSA-N -1 3 385.428 0.531 20 0 GCADHM O=C(NC1CC2(C1)CC(NC(=O)[C@H]1CCCO1)C2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259368 945386337 /nfs/dbraw/zinc/38/63/37/945386337.db2.gz MDFSCMZZAUDYIK-GIKSNMOYSA-N -1 3 385.428 0.531 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571259427 945386589 /nfs/dbraw/zinc/38/65/89/945386589.db2.gz NEQIVWNZISFDSE-UQGFQMMYSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(NC[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571259427 945386599 /nfs/dbraw/zinc/38/65/99/945386599.db2.gz NEQIVWNZISFDSE-UQGFQMMYSA-N -1 3 385.428 0.246 20 0 GCADHM O=C(C[C@H]1CCOC1)N1[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571259520 945390317 /nfs/dbraw/zinc/39/03/17/945390317.db2.gz NTRPWIXDMIUXSH-BNOWGMLFSA-N -1 3 385.428 0.437 20 0 GCADHM O=C(C[C@H]1CCOC1)N1[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571259520 945390322 /nfs/dbraw/zinc/39/03/22/945390322.db2.gz NTRPWIXDMIUXSH-BNOWGMLFSA-N -1 3 385.428 0.437 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571259545 945391962 /nfs/dbraw/zinc/39/19/62/945391962.db2.gz OJQOHKZHUVDQSH-HBJVGIJOSA-N -1 3 385.428 0.686 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571259545 945391973 /nfs/dbraw/zinc/39/19/73/945391973.db2.gz OJQOHKZHUVDQSH-HBJVGIJOSA-N -1 3 385.428 0.686 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259555 945392182 /nfs/dbraw/zinc/39/21/82/945392182.db2.gz OPLIQXDWDDUBGJ-BXUZGUMPSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259555 945392192 /nfs/dbraw/zinc/39/21/92/945392192.db2.gz OPLIQXDWDDUBGJ-BXUZGUMPSA-N -1 3 385.428 0.077 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(C(=O)[C@H]1CCOC1)CC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259990 945403774 /nfs/dbraw/zinc/40/37/74/945403774.db2.gz VCBGMDDNQKSPCE-MIUNTBIASA-N -1 3 385.428 0.485 20 0 GCADHM O=C(N[C@]12CCC[C@@H]1N(C(=O)[C@H]1CCOC1)CC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259990 945403781 /nfs/dbraw/zinc/40/37/81/945403781.db2.gz VCBGMDDNQKSPCE-MIUNTBIASA-N -1 3 385.428 0.485 20 0 GCADHM CCc1nc(CN(C)C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571260206 945409142 /nfs/dbraw/zinc/40/91/42/945409142.db2.gz XSDQZXQZUXZIAV-NSHDSACASA-N -1 3 385.432 0.734 20 0 GCADHM CCc1nc(CN(C)C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571260206 945409151 /nfs/dbraw/zinc/40/91/51/945409151.db2.gz XSDQZXQZUXZIAV-NSHDSACASA-N -1 3 385.432 0.734 20 0 GCADHM CC(C)c1noc(CN[C@H]2C[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571260174 945409737 /nfs/dbraw/zinc/40/97/37/945409737.db2.gz WYCQATBCINLDII-XYPYZODXSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CN[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571260174 945409743 /nfs/dbraw/zinc/40/97/43/945409743.db2.gz WYCQATBCINLDII-XYPYZODXSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@@H](NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1nnnn1C ZINC001571260154 945410330 /nfs/dbraw/zinc/41/03/30/945410330.db2.gz PHGAVQMUQNNKQZ-MNOVXSKESA-N -1 3 385.436 0.064 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001571260256 945412239 /nfs/dbraw/zinc/41/22/39/945412239.db2.gz ZCFCAOXQNORGPU-DKBOKBLXSA-N -1 3 385.428 0.372 20 0 GCADHM O=C(N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001571260256 945412247 /nfs/dbraw/zinc/41/22/47/945412247.db2.gz ZCFCAOXQNORGPU-DKBOKBLXSA-N -1 3 385.428 0.372 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001571262151 945436061 /nfs/dbraw/zinc/43/60/61/945436061.db2.gz NMRCQJMKMXBERK-WOPDTQHZSA-N -1 3 385.457 0.566 20 0 GCADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001571262151 945436066 /nfs/dbraw/zinc/43/60/66/945436066.db2.gz NMRCQJMKMXBERK-WOPDTQHZSA-N -1 3 385.457 0.566 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccccc1-c1nnn[n-]1)c1ccns1 ZINC001571262528 945439557 /nfs/dbraw/zinc/43/95/57/945439557.db2.gz SNUGWAADOWMPAU-ZDUSSCGKSA-N -1 3 385.453 0.954 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccccc1-c1nn[n-]n1)c1ccns1 ZINC001571262528 945439567 /nfs/dbraw/zinc/43/95/67/945439567.db2.gz SNUGWAADOWMPAU-ZDUSSCGKSA-N -1 3 385.453 0.954 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)c(C)s1 ZINC001571262826 945444093 /nfs/dbraw/zinc/44/40/93/945444093.db2.gz ZKZJEANAFCEDHX-KGLIPLIRSA-N -1 3 385.453 0.920 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)c(C)s1 ZINC001571262826 945444102 /nfs/dbraw/zinc/44/41/02/945444102.db2.gz ZKZJEANAFCEDHX-KGLIPLIRSA-N -1 3 385.453 0.920 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@]1(C)CCCO1 ZINC000820444094 945450314 /nfs/dbraw/zinc/45/03/14/945450314.db2.gz FWFRELJKCRPNSH-ZBEGNZNMSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@]1(C)CCCO1 ZINC000820444094 945450334 /nfs/dbraw/zinc/45/03/34/945450334.db2.gz FWFRELJKCRPNSH-ZBEGNZNMSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCC1(C)C ZINC000820444173 945450774 /nfs/dbraw/zinc/45/07/74/945450774.db2.gz HGZRTWQMQWEHHL-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCC1(C)C ZINC000820444173 945450778 /nfs/dbraw/zinc/45/07/78/945450778.db2.gz HGZRTWQMQWEHHL-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM Cc1nnsc1C(=O)NC[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571263331 945456365 /nfs/dbraw/zinc/45/63/65/945456365.db2.gz NBKFJCGRKVXUKR-LLVKDONJSA-N -1 3 385.457 0.986 20 0 GCADHM Cc1nnsc1C(=O)NC[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571263331 945456370 /nfs/dbraw/zinc/45/63/70/945456370.db2.gz NBKFJCGRKVXUKR-LLVKDONJSA-N -1 3 385.457 0.986 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)c3sccc3-c3nnn[n-]3)C2)NC(=O)NC1=O ZINC000820607296 945499345 /nfs/dbraw/zinc/49/93/45/945499345.db2.gz PGSUUJVLQUSZNW-GLEZIHRCSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)c3sccc3-c3nn[n-]n3)C2)NC(=O)NC1=O ZINC000820607296 945499352 /nfs/dbraw/zinc/49/93/52/945499352.db2.gz PGSUUJVLQUSZNW-GLEZIHRCSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)cs3)C2)NC(=O)NC1=O ZINC000820607373 945499734 /nfs/dbraw/zinc/49/97/34/945499734.db2.gz RZWWVALUWYASIH-PSLIRLAXSA-N -1 3 375.414 0.379 20 0 GCADHM C[C@@]1([C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)cs3)C2)NC(=O)NC1=O ZINC000820607373 945499739 /nfs/dbraw/zinc/49/97/39/945499739.db2.gz RZWWVALUWYASIH-PSLIRLAXSA-N -1 3 375.414 0.379 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571265114 945499900 /nfs/dbraw/zinc/49/99/00/945499900.db2.gz DFCFQXBMWLOJGC-KBPBESRZSA-N -1 3 385.476 0.616 20 0 GCADHM CN1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265114 945499908 /nfs/dbraw/zinc/49/99/08/945499908.db2.gz DFCFQXBMWLOJGC-KBPBESRZSA-N -1 3 385.476 0.616 20 0 GCADHM CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001571265193 945501212 /nfs/dbraw/zinc/50/12/12/945501212.db2.gz GPJBKEVRMBTANK-UONOGXRCSA-N -1 3 385.476 0.568 20 0 GCADHM CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC001571265194 945502402 /nfs/dbraw/zinc/50/24/02/945502402.db2.gz GPJBKEVRMBTANK-ZIAGYGMSSA-N -1 3 385.476 0.568 20 0 GCADHM C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)[C@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001571265231 945505055 /nfs/dbraw/zinc/50/50/55/945505055.db2.gz DAKRSVGRUZQVOA-KGLIPLIRSA-N -1 3 385.476 0.213 20 0 GCADHM CN(C[C@H]1CCN(C(=O)[C@@H]2CCCCN2C)C1)c1ccnc(-c2nnn[n-]2)n1 ZINC001571265295 945508096 /nfs/dbraw/zinc/50/80/96/945508096.db2.gz GAWWKCQKRZLAGW-KGLIPLIRSA-N -1 3 385.476 0.426 20 0 GCADHM CN1CCCC[C@H]1C(=O)NC[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265515 945511827 /nfs/dbraw/zinc/51/18/27/945511827.db2.gz LERFJEDPGAZBPP-HIFRSBDPSA-N -1 3 385.476 0.474 20 0 GCADHM CC(C)CC(=O)N1CC[C@H](N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571265739 945518319 /nfs/dbraw/zinc/51/83/19/945518319.db2.gz JILQSYRLTUAHSO-AWEZNQCLSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)CC(=O)N1CC[C@H](N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571265739 945518321 /nfs/dbraw/zinc/51/83/21/945518321.db2.gz JILQSYRLTUAHSO-AWEZNQCLSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)CC(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571265740 945519165 /nfs/dbraw/zinc/51/91/65/945519165.db2.gz JILQSYRLTUAHSO-CQSZACIVSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)CC(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571265740 945519169 /nfs/dbraw/zinc/51/91/69/945519169.db2.gz JILQSYRLTUAHSO-CQSZACIVSA-N -1 3 385.476 0.426 20 0 GCADHM CN1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571265810 945521827 /nfs/dbraw/zinc/52/18/27/945521827.db2.gz PIQLBGBKDWFGGH-IHRRRGAJSA-N -1 3 385.476 0.838 20 0 GCADHM C[C@@H](NC(=O)[C@@H]1CCCN1C)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265893 945523382 /nfs/dbraw/zinc/52/33/82/945523382.db2.gz SDTLILRCNNJPSA-DOMZBBRYSA-N -1 3 385.476 0.472 20 0 GCADHM CCCC(=O)N1CCN([C@@H]2CCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571266487 945545591 /nfs/dbraw/zinc/54/55/91/945545591.db2.gz RSTAARCHPSWRNH-CQSZACIVSA-N -1 3 385.476 0.488 20 0 GCADHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC001571266792 945551499 /nfs/dbraw/zinc/55/14/99/945551499.db2.gz ZJJFPJVQRDCLPR-XMMPIXPASA-N -1 3 385.475 0.073 20 0 GCADHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC001571266792 945551504 /nfs/dbraw/zinc/55/15/04/945551504.db2.gz ZJJFPJVQRDCLPR-XMMPIXPASA-N -1 3 385.475 0.073 20 0 GCADHM O=C(N[C@@H]1CCN(CC=C(Cl)Cl)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571266930 945557253 /nfs/dbraw/zinc/55/72/53/945557253.db2.gz CQDBOTJHMIEWHW-LDYMZIIASA-N -1 3 386.243 0.679 20 0 GCADHM O=C(N[C@@H]1CCN(CC=C(Cl)Cl)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571266930 945557259 /nfs/dbraw/zinc/55/72/59/945557259.db2.gz CQDBOTJHMIEWHW-LDYMZIIASA-N -1 3 386.243 0.679 20 0 GCADHM O=C(N[C@H]1CCN(CC=C(Cl)Cl)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571266929 945557439 /nfs/dbraw/zinc/55/74/39/945557439.db2.gz CQDBOTJHMIEWHW-KWQFWETISA-N -1 3 386.243 0.679 20 0 GCADHM O=C(N[C@H]1CCN(CC=C(Cl)Cl)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571266929 945557447 /nfs/dbraw/zinc/55/74/47/945557447.db2.gz CQDBOTJHMIEWHW-KWQFWETISA-N -1 3 386.243 0.679 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820804029 945558272 /nfs/dbraw/zinc/55/82/72/945558272.db2.gz LMSRKISOYVKLTE-PSASIEDQSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820804029 945558290 /nfs/dbraw/zinc/55/82/90/945558290.db2.gz LMSRKISOYVKLTE-PSASIEDQSA-N -1 3 380.792 0.067 20 0 GCADHM O=C(Cc1ncccc1F)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571267112 945561385 /nfs/dbraw/zinc/56/13/85/945561385.db2.gz JKIXUYJAQWTFSV-UHFFFAOYSA-N -1 3 386.366 0.826 20 0 GCADHM O=C(Cc1ncccc1F)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571267112 945561391 /nfs/dbraw/zinc/56/13/91/945561391.db2.gz JKIXUYJAQWTFSV-UHFFFAOYSA-N -1 3 386.366 0.826 20 0 GCADHM COC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccc(-c4nnn[n-]4)c(OC)c3)C2)C1 ZINC001571267041 945561997 /nfs/dbraw/zinc/56/19/97/945561997.db2.gz HLASJUASTIIJMN-KRWDZBQOSA-N -1 3 386.368 0.409 20 0 GCADHM COC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)c(OC)c3)C2)C1 ZINC001571267041 945562000 /nfs/dbraw/zinc/56/20/00/945562000.db2.gz HLASJUASTIIJMN-KRWDZBQOSA-N -1 3 386.368 0.409 20 0 GCADHM Cc1[nH]ccc1C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001571267106 945562063 /nfs/dbraw/zinc/56/20/63/945562063.db2.gz JGZVSSDYQCRFKX-GFCCVEGCSA-N -1 3 386.391 0.673 20 0 GCADHM Cc1[nH]ccc1C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001571267106 945562069 /nfs/dbraw/zinc/56/20/69/945562069.db2.gz JGZVSSDYQCRFKX-GFCCVEGCSA-N -1 3 386.391 0.673 20 0 GCADHM CCOc1nc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571267246 945565785 /nfs/dbraw/zinc/56/57/85/945565785.db2.gz NTLNVXYBMRNYAQ-JTQLQIEISA-N -1 3 386.372 0.226 20 0 GCADHM CCOc1nc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571267246 945565793 /nfs/dbraw/zinc/56/57/93/945565793.db2.gz NTLNVXYBMRNYAQ-JTQLQIEISA-N -1 3 386.372 0.226 20 0 GCADHM O=C(c1n[nH]cc1F)N1C[C@@H]2C[C@H]1CN2Cc1cc(-c2nn[n-]n2)ccc1F ZINC001571267321 945567015 /nfs/dbraw/zinc/56/70/15/945567015.db2.gz QOBYFUIEECWGLO-RYUDHWBXSA-N -1 3 386.366 0.967 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000820838574 945567859 /nfs/dbraw/zinc/56/78/59/945567859.db2.gz WLVLBNRUVXZDBU-NSHDSACASA-N -1 3 387.444 0.681 20 0 GCADHM CCC(=O)N[C@@H](C)C(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000820838574 945567864 /nfs/dbraw/zinc/56/78/64/945567864.db2.gz WLVLBNRUVXZDBU-NSHDSACASA-N -1 3 387.444 0.681 20 0 GCADHM COCc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571267489 945571035 /nfs/dbraw/zinc/57/10/35/945571035.db2.gz WVEFIFPCMVEZCO-AOOOYVTPSA-N -1 3 386.372 0.020 20 0 GCADHM COCc1nc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571267489 945571038 /nfs/dbraw/zinc/57/10/38/945571038.db2.gz WVEFIFPCMVEZCO-AOOOYVTPSA-N -1 3 386.372 0.020 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)o1 ZINC001571267521 945573360 /nfs/dbraw/zinc/57/33/60/945573360.db2.gz XWIRNLKTWIFIRT-SECBINFHSA-N -1 3 386.347 0.419 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)o1 ZINC001571267521 945573367 /nfs/dbraw/zinc/57/33/67/945573367.db2.gz XWIRNLKTWIFIRT-SECBINFHSA-N -1 3 386.347 0.419 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O)c1ncc[nH]1 ZINC001571267662 945575333 /nfs/dbraw/zinc/57/53/33/945575333.db2.gz BHPGWBYVUCVFAI-KGLIPLIRSA-N -1 3 386.391 0.094 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)CC[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001571267648 945575731 /nfs/dbraw/zinc/57/57/31/945575731.db2.gz AWIMZCSDQGSQRO-NWDGAFQWSA-N -1 3 386.416 0.091 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)CC[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001571267648 945575734 /nfs/dbraw/zinc/57/57/34/945575734.db2.gz AWIMZCSDQGSQRO-NWDGAFQWSA-N -1 3 386.416 0.091 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571267819 945579063 /nfs/dbraw/zinc/57/90/63/945579063.db2.gz GAGFGBDJOWTTIU-CABZTGNLSA-N -1 3 386.395 0.317 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571267819 945579071 /nfs/dbraw/zinc/57/90/71/945579071.db2.gz GAGFGBDJOWTTIU-CABZTGNLSA-N -1 3 386.395 0.317 20 0 GCADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCc2cccnc21 ZINC001571267896 945582212 /nfs/dbraw/zinc/58/22/12/945582212.db2.gz IBONABVQOOWWEB-UHFFFAOYSA-N -1 3 386.393 0.800 20 0 GCADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCc2cccnc21 ZINC001571267896 945582220 /nfs/dbraw/zinc/58/22/20/945582220.db2.gz IBONABVQOOWWEB-UHFFFAOYSA-N -1 3 386.393 0.800 20 0 GCADHM C[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1nnc[nH]1 ZINC001571268101 945588073 /nfs/dbraw/zinc/58/80/73/945588073.db2.gz NYBQLAYFZNHDBK-GXSJLCMTSA-N -1 3 386.395 0.553 20 0 GCADHM C[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)Cc1nnc[nH]1 ZINC001571268104 945588238 /nfs/dbraw/zinc/58/82/38/945588238.db2.gz NYBQLAYFZNHDBK-ONGXEEELSA-N -1 3 386.395 0.553 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O)[C@@H]1C[C@H]1C1CC1 ZINC001571268135 945588329 /nfs/dbraw/zinc/58/83/29/945588329.db2.gz ATQZVJADDACTFF-HZMVEIRTSA-N -1 3 386.431 0.713 20 0 GCADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC000820920259 945590023 /nfs/dbraw/zinc/59/00/23/945590023.db2.gz OCWSLEUDFIKXOB-IUODEOHRSA-N -1 3 387.444 0.864 20 0 GCADHM CC[C@@H](NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC000820920259 945590030 /nfs/dbraw/zinc/59/00/30/945590030.db2.gz OCWSLEUDFIKXOB-IUODEOHRSA-N -1 3 387.444 0.864 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571268256 945591194 /nfs/dbraw/zinc/59/11/94/945591194.db2.gz PQWMGPMNZRHIKR-JOYOIKCWSA-N -1 3 386.391 0.991 20 0 GCADHM O=C(NC[C@H]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571268256 945591197 /nfs/dbraw/zinc/59/11/97/945591197.db2.gz PQWMGPMNZRHIKR-JOYOIKCWSA-N -1 3 386.391 0.991 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571268254 945592437 /nfs/dbraw/zinc/59/24/37/945592437.db2.gz PQWMGPMNZRHIKR-BXKDBHETSA-N -1 3 386.391 0.991 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571268254 945592440 /nfs/dbraw/zinc/59/24/40/945592440.db2.gz PQWMGPMNZRHIKR-BXKDBHETSA-N -1 3 386.391 0.991 20 0 GCADHM Cc1cnc([C@@H](C)NC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)o1 ZINC001571268551 945598320 /nfs/dbraw/zinc/59/83/20/945598320.db2.gz HFZAEQDTXQEPSA-NEPJUHHUSA-N -1 3 386.416 0.683 20 0 GCADHM Cc1cnc([C@@H](C)NC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)o1 ZINC001571268551 945598325 /nfs/dbraw/zinc/59/83/25/945598325.db2.gz HFZAEQDTXQEPSA-NEPJUHHUSA-N -1 3 386.416 0.683 20 0 GCADHM Cc1nn[nH]c1C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571268685 945601752 /nfs/dbraw/zinc/60/17/52/945601752.db2.gz WMOFIXNSANIZLG-VXGBXAGGSA-N -1 3 386.395 0.980 20 0 GCADHM CCn1ncc(C(=O)N[C@H]2C[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)n1 ZINC001571268886 945607779 /nfs/dbraw/zinc/60/77/79/945607779.db2.gz YGGKRNYKFAUFMA-HOMQSWHASA-N -1 3 386.395 0.633 20 0 GCADHM CCn1ncc(C(=O)N[C@H]2C[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)n1 ZINC001571268886 945607780 /nfs/dbraw/zinc/60/77/80/945607780.db2.gz YGGKRNYKFAUFMA-HOMQSWHASA-N -1 3 386.395 0.633 20 0 GCADHM Cc1nc(N2CCOC[C@@H]2CNC(=O)c2cc(F)c[nH]2)ccc1-c1nnn[n-]1 ZINC001571268917 945607895 /nfs/dbraw/zinc/60/78/95/945607895.db2.gz ZKSXRTVSVRBNMX-LBPRGKRZSA-N -1 3 386.391 0.673 20 0 GCADHM Cc1nc(N2CCOC[C@@H]2CNC(=O)c2cc(F)c[nH]2)ccc1-c1nn[n-]n1 ZINC001571268917 945607897 /nfs/dbraw/zinc/60/78/97/945607897.db2.gz ZKSXRTVSVRBNMX-LBPRGKRZSA-N -1 3 386.391 0.673 20 0 GCADHM C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001571268921 945608474 /nfs/dbraw/zinc/60/84/74/945608474.db2.gz ZPYLDPHIHGUYSX-GXSJLCMTSA-N -1 3 386.395 0.350 20 0 GCADHM C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001571268921 945608482 /nfs/dbraw/zinc/60/84/82/945608482.db2.gz ZPYLDPHIHGUYSX-GXSJLCMTSA-N -1 3 386.395 0.350 20 0 GCADHM Cc1conc1CN1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571269097 945611299 /nfs/dbraw/zinc/61/12/99/945611299.db2.gz OQSJMHKVMCMOKX-CYBMUJFWSA-N -1 3 386.416 0.512 20 0 GCADHM Cc1conc1CN1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571269097 945611304 /nfs/dbraw/zinc/61/13/04/945611304.db2.gz OQSJMHKVMCMOKX-CYBMUJFWSA-N -1 3 386.416 0.512 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001571269050 945611458 /nfs/dbraw/zinc/61/14/58/945611458.db2.gz NIWLHLMDNREXKK-IEHFGQBSSA-N -1 3 386.431 0.713 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2F)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571269056 945611781 /nfs/dbraw/zinc/61/17/81/945611781.db2.gz NKPIAVMROJTOCO-LJIGWXMPSA-N -1 3 386.431 0.979 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571269056 945611785 /nfs/dbraw/zinc/61/17/85/945611785.db2.gz NKPIAVMROJTOCO-LJIGWXMPSA-N -1 3 386.431 0.979 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCCN2C(=O)[C@H]2COC(=O)N2)n1 ZINC001571269179 945613616 /nfs/dbraw/zinc/61/36/16/945613616.db2.gz RIBUUDSPFGPTGV-DGCLKSJQSA-N -1 3 386.416 0.472 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCCN2C(=O)[C@H]2COC(=O)N2)n1 ZINC001571269179 945613620 /nfs/dbraw/zinc/61/36/20/945613620.db2.gz RIBUUDSPFGPTGV-DGCLKSJQSA-N -1 3 386.416 0.472 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCCC[C@H]1CCNc1ncccc1-c1nnn[n-]1 ZINC001571269211 945615795 /nfs/dbraw/zinc/61/57/95/945615795.db2.gz SKNWWKQPBZITHL-AAEUAGOBSA-N -1 3 386.416 0.553 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCCC[C@H]1CCNc1ncccc1-c1nn[n-]n1 ZINC001571269211 945615800 /nfs/dbraw/zinc/61/58/00/945615800.db2.gz SKNWWKQPBZITHL-AAEUAGOBSA-N -1 3 386.416 0.553 20 0 GCADHM Cc1ncc(C(=O)NC2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)s1 ZINC001571269611 945621459 /nfs/dbraw/zinc/62/14/59/945621459.db2.gz ACYNFPBQBUGHEK-UHFFFAOYSA-N -1 3 386.441 0.898 20 0 GCADHM Cc1ncc(C(=O)NC2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)s1 ZINC001571269611 945621465 /nfs/dbraw/zinc/62/14/65/945621465.db2.gz ACYNFPBQBUGHEK-UHFFFAOYSA-N -1 3 386.441 0.898 20 0 GCADHM CO[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1csnn1 ZINC001571269630 945623214 /nfs/dbraw/zinc/62/32/14/945623214.db2.gz BCYIRYHVWUPHCB-TZMCWYRMSA-N -1 3 386.441 0.347 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2nccs2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571269660 945623952 /nfs/dbraw/zinc/62/39/52/945623952.db2.gz BURRFZBCIIALRG-GXSJLCMTSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(N[C@@H]1CC[C@H](CNC(=O)c2nccs2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571269660 945623956 /nfs/dbraw/zinc/62/39/56/945623956.db2.gz BURRFZBCIIALRG-GXSJLCMTSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncs1 ZINC001571269852 945625732 /nfs/dbraw/zinc/62/57/32/945625732.db2.gz FFUAHQDPVZWASD-MWLCHTKSSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncs1 ZINC001571269852 945625746 /nfs/dbraw/zinc/62/57/46/945625746.db2.gz FFUAHQDPVZWASD-MWLCHTKSSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncs1 ZINC001571269853 945625862 /nfs/dbraw/zinc/62/58/62/945625862.db2.gz FFUAHQDPVZWASD-ONGXEEELSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncs1 ZINC001571269853 945625869 /nfs/dbraw/zinc/62/58/69/945625869.db2.gz FFUAHQDPVZWASD-ONGXEEELSA-N -1 3 386.441 0.980 20 0 GCADHM Cc1n[nH]c(=O)c(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)c1C ZINC001571269881 945627695 /nfs/dbraw/zinc/62/76/95/945627695.db2.gz GHWSLFVGHIXJTE-UHFFFAOYSA-N -1 3 386.441 0.655 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1cncs1 ZINC001571269942 945627759 /nfs/dbraw/zinc/62/77/59/945627759.db2.gz IMBYVUOYXKABSS-JOYOIKCWSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1cncs1 ZINC001571269942 945627766 /nfs/dbraw/zinc/62/77/66/945627766.db2.gz IMBYVUOYXKABSS-JOYOIKCWSA-N -1 3 386.441 0.613 20 0 GCADHM CCc1ncc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)s1 ZINC001571270029 945629912 /nfs/dbraw/zinc/62/99/12/945629912.db2.gz LAHORZOIJCKTDT-SNVBAGLBSA-N -1 3 386.441 0.858 20 0 GCADHM CCc1ncc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)s1 ZINC001571270029 945629920 /nfs/dbraw/zinc/62/99/20/945629920.db2.gz LAHORZOIJCKTDT-SNVBAGLBSA-N -1 3 386.441 0.858 20 0 GCADHM CCCCn1c(N)c(N(C)C(=O)Cc2cccc(-c3nnn[n-]3)c2)c(=O)[nH]c1=O ZINC000821082523 945631631 /nfs/dbraw/zinc/63/16/31/945631631.db2.gz MGHUBHBQFBPWLB-UHFFFAOYSA-N -1 3 398.427 0.717 20 0 GCADHM CCCCn1c(N)c(N(C)C(=O)Cc2cccc(-c3nn[n-]n3)c2)c(=O)[nH]c1=O ZINC000821082523 945631637 /nfs/dbraw/zinc/63/16/37/945631637.db2.gz MGHUBHBQFBPWLB-UHFFFAOYSA-N -1 3 398.427 0.717 20 0 GCADHM Cc1cc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ns1 ZINC001571270080 945631864 /nfs/dbraw/zinc/63/18/64/945631864.db2.gz MPHQNSNJRVPZJZ-UHFFFAOYSA-N -1 3 386.441 0.898 20 0 GCADHM Cc1cc(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ns1 ZINC001571270080 945631867 /nfs/dbraw/zinc/63/18/67/945631867.db2.gz MPHQNSNJRVPZJZ-UHFFFAOYSA-N -1 3 386.441 0.898 20 0 GCADHM O=C(CCc1cncs1)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571270272 945632786 /nfs/dbraw/zinc/63/27/86/945632786.db2.gz OZFZEKMJCONLAP-NSHDSACASA-N -1 3 386.441 0.615 20 0 GCADHM O=C(CCc1cncs1)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571270272 945632788 /nfs/dbraw/zinc/63/27/88/945632788.db2.gz OZFZEKMJCONLAP-NSHDSACASA-N -1 3 386.441 0.615 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)c1nccs1 ZINC001571270363 945635173 /nfs/dbraw/zinc/63/51/73/945635173.db2.gz RHNSDJRLMBIBMH-MWLCHTKSSA-N -1 3 386.441 0.789 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)c1nccs1 ZINC001571270363 945635177 /nfs/dbraw/zinc/63/51/77/945635177.db2.gz RHNSDJRLMBIBMH-MWLCHTKSSA-N -1 3 386.441 0.789 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)c3cn(C)ccc3=O)C2)c1-c1nnn[n-]1 ZINC001571270316 945635527 /nfs/dbraw/zinc/63/55/27/945635527.db2.gz QDGQJNQQJMAWKE-JTQLQIEISA-N -1 3 386.441 0.339 20 0 GCADHM Cc1ncsc1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571270383 945637542 /nfs/dbraw/zinc/63/75/42/945637542.db2.gz RYPAZIUVIDWHBW-LLVKDONJSA-N -1 3 386.441 0.946 20 0 GCADHM Cc1ncsc1C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571270383 945637546 /nfs/dbraw/zinc/63/75/46/945637546.db2.gz RYPAZIUVIDWHBW-LLVKDONJSA-N -1 3 386.441 0.946 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2cscn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571270674 945641071 /nfs/dbraw/zinc/64/10/71/945641071.db2.gz YLFKCRLEQVNEOZ-ONGXEEELSA-N -1 3 386.441 0.980 20 0 GCADHM O=C(NC[C@H]1CC[C@H](NC(=O)c2cscn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571270674 945641078 /nfs/dbraw/zinc/64/10/78/945641078.db2.gz YLFKCRLEQVNEOZ-ONGXEEELSA-N -1 3 386.441 0.980 20 0 GCADHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000821154535 945645205 /nfs/dbraw/zinc/64/52/05/945645205.db2.gz OQMNFCPRWCRCLG-NSHDSACASA-N -1 3 398.876 0.968 20 0 GCADHM O=C(NCCC1(CO)CC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571272451 945663359 /nfs/dbraw/zinc/66/33/59/945663359.db2.gz FBKMTUNFOUQQIP-UHFFFAOYSA-N -1 3 386.460 0.692 20 0 GCADHM O=C(NCCC1(CO)CC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571272451 945663364 /nfs/dbraw/zinc/66/33/64/945663364.db2.gz FBKMTUNFOUQQIP-UHFFFAOYSA-N -1 3 386.460 0.692 20 0 GCADHM CCOC(=O)C1(O)CCN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821319112 945668773 /nfs/dbraw/zinc/66/87/73/945668773.db2.gz AOMDJRBOVZQLFZ-LBPRGKRZSA-N -1 3 388.428 0.584 20 0 GCADHM CCOC(=O)C1(O)CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821319112 945668780 /nfs/dbraw/zinc/66/87/80/945668780.db2.gz AOMDJRBOVZQLFZ-LBPRGKRZSA-N -1 3 388.428 0.584 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC001571272697 945669360 /nfs/dbraw/zinc/66/93/60/945669360.db2.gz YIBJOVVHFAGSSO-UHFFFAOYSA-N -1 3 386.803 0.841 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC001571272697 945669362 /nfs/dbraw/zinc/66/93/62/945669362.db2.gz YIBJOVVHFAGSSO-UHFFFAOYSA-N -1 3 386.803 0.841 20 0 GCADHM CCOC(=O)C1(O)CCN([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)CC1 ZINC000821320996 945670129 /nfs/dbraw/zinc/67/01/29/945670129.db2.gz SKLSVYCTWOAHJN-LBPRGKRZSA-N -1 3 388.428 0.584 20 0 GCADHM CCOC(=O)C1(O)CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)CC1 ZINC000821320996 945670132 /nfs/dbraw/zinc/67/01/32/945670132.db2.gz SKLSVYCTWOAHJN-LBPRGKRZSA-N -1 3 388.428 0.584 20 0 GCADHM CCOC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821334826 945672030 /nfs/dbraw/zinc/67/20/30/945672030.db2.gz QZJGVFGZJMQAHR-UHFFFAOYSA-N -1 3 394.457 0.415 20 0 GCADHM CCOC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821334826 945672037 /nfs/dbraw/zinc/67/20/37/945672037.db2.gz QZJGVFGZJMQAHR-UHFFFAOYSA-N -1 3 394.457 0.415 20 0 GCADHM O=C(CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)NC1CCCC1 ZINC001571272857 945673043 /nfs/dbraw/zinc/67/30/43/945673043.db2.gz JOISDXROEZSYDN-AWEZNQCLSA-N -1 3 386.460 0.448 20 0 GCADHM O=C(CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)NC1CCCC1 ZINC001571272857 945673048 /nfs/dbraw/zinc/67/30/48/945673048.db2.gz JOISDXROEZSYDN-AWEZNQCLSA-N -1 3 386.460 0.448 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001571273088 945680342 /nfs/dbraw/zinc/68/03/42/945680342.db2.gz OUXLLXRHZYQVHK-HNNXBMFYSA-N -1 3 386.460 0.021 20 0 GCADHM CN(c1ncccc1-c1nnn[n-]1)C1CCN(C(=O)CN2CCOCC2)CC1 ZINC001571273165 945681761 /nfs/dbraw/zinc/68/17/61/945681761.db2.gz RAQGYESTLROWRZ-UHFFFAOYSA-N -1 3 386.460 0.021 20 0 GCADHM CN(c1ncccc1-c1nn[n-]n1)C1CCN(C(=O)CN2CCOCC2)CC1 ZINC001571273165 945681771 /nfs/dbraw/zinc/68/17/71/945681771.db2.gz RAQGYESTLROWRZ-UHFFFAOYSA-N -1 3 386.460 0.021 20 0 GCADHM CCOCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821373741 945686961 /nfs/dbraw/zinc/68/69/61/945686961.db2.gz LNVGQTFNURZYQX-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM CCOCCCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821373741 945686965 /nfs/dbraw/zinc/68/69/65/945686965.db2.gz LNVGQTFNURZYQX-GFCCVEGCSA-N -1 3 396.473 0.466 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)CN(C)Cc1nnc(C)n1C ZINC000821406154 945688081 /nfs/dbraw/zinc/68/80/81/945688081.db2.gz AQZMCRVPUCMKFO-UHFFFAOYSA-N -1 3 385.432 0.773 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)CN(C)Cc1nnc(C)n1C ZINC000821406154 945688085 /nfs/dbraw/zinc/68/80/85/945688085.db2.gz AQZMCRVPUCMKFO-UHFFFAOYSA-N -1 3 385.432 0.773 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@@H]2CNc2ncc(-c3nnn[n-]3)cc2F)o1 ZINC001571274372 945696941 /nfs/dbraw/zinc/69/69/41/945696941.db2.gz GGJDHJGLKVGSRJ-LLVKDONJSA-N -1 3 387.379 0.738 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@@H]2CNc2ncc(-c3nn[n-]n3)cc2F)o1 ZINC001571274372 945696946 /nfs/dbraw/zinc/69/69/46/945696946.db2.gz GGJDHJGLKVGSRJ-LLVKDONJSA-N -1 3 387.379 0.738 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cnco1 ZINC001571274623 945698726 /nfs/dbraw/zinc/69/87/26/945698726.db2.gz JGOPSAITSJPKBG-GFCCVEGCSA-N -1 3 387.375 0.625 20 0 GCADHM O=C(NC[C@@H]1COCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cnco1 ZINC001571274623 945698732 /nfs/dbraw/zinc/69/87/32/945698732.db2.gz JGOPSAITSJPKBG-GFCCVEGCSA-N -1 3 387.375 0.625 20 0 GCADHM CCOC(=O)[C@H](COC)NS(=O)(=O)c1c(C)cc(F)cc1-c1nnn[n-]1 ZINC001571274686 945698890 /nfs/dbraw/zinc/69/88/90/945698890.db2.gz JZYCGQSXCCFJAJ-NSHDSACASA-N -1 3 387.393 0.171 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)o1 ZINC001571274889 945701623 /nfs/dbraw/zinc/70/16/23/945701623.db2.gz MGOPJCGRTGJMCY-NSHDSACASA-N -1 3 387.379 0.738 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)o1 ZINC001571274889 945701629 /nfs/dbraw/zinc/70/16/29/945701629.db2.gz MGOPJCGRTGJMCY-NSHDSACASA-N -1 3 387.379 0.738 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001571275571 945708429 /nfs/dbraw/zinc/70/84/29/945708429.db2.gz XPGXDDFTEJJWAQ-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001571275571 945708438 /nfs/dbraw/zinc/70/84/38/945708438.db2.gz XPGXDDFTEJJWAQ-KGLIPLIRSA-N -1 3 387.375 0.277 20 0 GCADHM CN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821570984 945719857 /nfs/dbraw/zinc/71/98/57/945719857.db2.gz UQYPAVOXMSZRPM-UHFFFAOYSA-N -1 3 378.458 0.292 20 0 GCADHM CN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821570984 945719863 /nfs/dbraw/zinc/71/98/63/945719863.db2.gz UQYPAVOXMSZRPM-UHFFFAOYSA-N -1 3 378.458 0.292 20 0 GCADHM CN(C(=O)COc1cccc(-c2nnn[n-]2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821570626 945721072 /nfs/dbraw/zinc/72/10/72/945721072.db2.gz DLJMCFIESDGNBN-UHFFFAOYSA-N -1 3 394.457 0.128 20 0 GCADHM CN(C(=O)COc1cccc(-c2nn[n-]n2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821570626 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COc1ccsc1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571278797 945760395 /nfs/dbraw/zinc/76/03/95/945760395.db2.gz CHPVSCMBDFIWSQ-UHFFFAOYSA-N -1 3 387.425 0.863 20 0 GCADHM COc1ccsc1C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571278797 945760402 /nfs/dbraw/zinc/76/04/02/945760402.db2.gz CHPVSCMBDFIWSQ-UHFFFAOYSA-N -1 3 387.425 0.863 20 0 GCADHM CO[C@@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1)C1CC1 ZINC001571278760 945760698 /nfs/dbraw/zinc/76/06/98/945760698.db2.gz BPAWCIXZVKDSTK-QAPCUYQASA-N -1 3 387.444 0.452 20 0 GCADHM CO[C@@H](C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1)C1CC1 ZINC001571278760 945760705 /nfs/dbraw/zinc/76/07/05/945760705.db2.gz BPAWCIXZVKDSTK-QAPCUYQASA-N -1 3 387.444 0.452 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571278874 945763048 /nfs/dbraw/zinc/76/30/48/945763048.db2.gz FAFJDECAQZHDBG-HCKVZZMMSA-N -1 3 387.444 0.587 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571278874 945763051 /nfs/dbraw/zinc/76/30/51/945763051.db2.gz FAFJDECAQZHDBG-HCKVZZMMSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@]1(C(=O)N2CCCC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001571278897 945765619 /nfs/dbraw/zinc/76/56/19/945765619.db2.gz FHYGJUMCMYSSMS-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001571278897 945765626 /nfs/dbraw/zinc/76/56/26/945765626.db2.gz FHYGJUMCMYSSMS-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCCO1 ZINC001571279012 945767265 /nfs/dbraw/zinc/76/72/65/945767265.db2.gz GADIFDDNDSBFKD-ZFWWWQNUSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCCO1 ZINC001571279012 945767274 /nfs/dbraw/zinc/76/72/74/945767274.db2.gz GADIFDDNDSBFKD-ZFWWWQNUSA-N -1 3 387.444 0.827 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571279044 945767638 /nfs/dbraw/zinc/76/76/38/945767638.db2.gz HGCRLBTXKDNCBO-KYOSRNDESA-N -1 3 387.444 0.731 20 0 GCADHM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571279044 945767644 /nfs/dbraw/zinc/76/76/44/945767644.db2.gz HGCRLBTXKDNCBO-KYOSRNDESA-N -1 3 387.444 0.731 20 0 GCADHM CCOC1CC(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)C1 ZINC001571279066 945769354 /nfs/dbraw/zinc/76/93/54/945769354.db2.gz HWVMHDNKYWENPY-XVSSEFHLSA-N -1 3 387.444 0.729 20 0 GCADHM CCOC1CC(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)C1 ZINC001571279066 945769360 /nfs/dbraw/zinc/76/93/60/945769360.db2.gz HWVMHDNKYWENPY-XVSSEFHLSA-N -1 3 387.444 0.729 20 0 GCADHM CN(C(=O)[C@H]1CCCO1)C1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279056 945769445 /nfs/dbraw/zinc/76/94/45/945769445.db2.gz HMMQURACOJWZLE-KOHJWAIASA-N -1 3 387.444 0.873 20 0 GCADHM CN(C(=O)[C@H]1CCCO1)C1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571279056 945769451 /nfs/dbraw/zinc/76/94/51/945769451.db2.gz HMMQURACOJWZLE-KOHJWAIASA-N -1 3 387.444 0.873 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571279093 945769526 /nfs/dbraw/zinc/76/95/26/945769526.db2.gz IOJAFHLXAHJHOL-NFAWXSAZSA-N -1 3 387.444 0.683 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571279093 945769533 /nfs/dbraw/zinc/76/95/33/945769533.db2.gz IOJAFHLXAHJHOL-NFAWXSAZSA-N -1 3 387.444 0.683 20 0 GCADHM COCC(=O)N1C[C@H](C)OC2(CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571279152 945770879 /nfs/dbraw/zinc/77/08/79/945770879.db2.gz KCZDRSPEQIDACW-ZDUSSCGKSA-N -1 3 387.444 0.494 20 0 GCADHM COCC(=O)N1C[C@H](C)OC2(CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571279152 945770884 /nfs/dbraw/zinc/77/08/84/945770884.db2.gz KCZDRSPEQIDACW-ZDUSSCGKSA-N -1 3 387.444 0.494 20 0 GCADHM Cc1nnsc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571279185 945771940 /nfs/dbraw/zinc/77/19/40/945771940.db2.gz KQRLUILJTPSVMY-XCBNKYQSSA-N -1 3 387.429 0.388 20 0 GCADHM Cc1nnsc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571279185 945771949 /nfs/dbraw/zinc/77/19/49/945771949.db2.gz KQRLUILJTPSVMY-XCBNKYQSSA-N -1 3 387.429 0.388 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)CC[C@@H]1NC(=O)[C@@H]1COCCO1 ZINC001571279245 945773021 /nfs/dbraw/zinc/77/30/21/945773021.db2.gz LXHZTXXMVUBHLD-KBPBESRZSA-N -1 3 387.444 0.398 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)CC[C@@H]1NC(=O)[C@@H]1COCCO1 ZINC001571279245 945773024 /nfs/dbraw/zinc/77/30/24/945773024.db2.gz LXHZTXXMVUBHLD-KBPBESRZSA-N -1 3 387.444 0.398 20 0 GCADHM CCN(CC)C(=O)CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001571279217 945773051 /nfs/dbraw/zinc/77/30/51/945773051.db2.gz LLEWLJYVAMBGPG-UHFFFAOYSA-N -1 3 387.444 0.960 20 0 GCADHM CCN(CC)C(=O)CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001571279217 945773056 /nfs/dbraw/zinc/77/30/56/945773056.db2.gz LLEWLJYVAMBGPG-UHFFFAOYSA-N -1 3 387.444 0.960 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nnn[n-]2)CC[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001571279247 945773101 /nfs/dbraw/zinc/77/31/01/945773101.db2.gz LXHZTXXMVUBHLD-UONOGXRCSA-N -1 3 387.444 0.398 20 0 GCADHM CC1(C)CN(c2ncccc2-c2nn[n-]n2)CC[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001571279247 945773106 /nfs/dbraw/zinc/77/31/06/945773106.db2.gz LXHZTXXMVUBHLD-UONOGXRCSA-N -1 3 387.444 0.398 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001571279289 945773393 /nfs/dbraw/zinc/77/33/93/945773393.db2.gz NGWGJRKCPRSHPC-CVMIBZJCSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001571279289 945773397 /nfs/dbraw/zinc/77/33/97/945773397.db2.gz NGWGJRKCPRSHPC-CVMIBZJCSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H]1CO[C@@H](C(=O)N(C)C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001571279286 945774215 /nfs/dbraw/zinc/77/42/15/945774215.db2.gz NGMZRSRZLHARII-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@H]1CO[C@@H](C(=O)N(C)C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001571279286 945774228 /nfs/dbraw/zinc/77/42/28/945774228.db2.gz NGMZRSRZLHARII-IAQYHMDHSA-N -1 3 387.444 0.683 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571279372 945775808 /nfs/dbraw/zinc/77/58/08/945775808.db2.gz VWHHTRKLRKEKKZ-ZBFHGGJFSA-N -1 3 386.460 0.385 20 0 GCADHM CCN1CCOC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571279372 945775815 /nfs/dbraw/zinc/77/58/15/945775815.db2.gz VWHHTRKLRKEKKZ-ZBFHGGJFSA-N -1 3 386.460 0.385 20 0 GCADHM Cc1nsc(NC[C@H]2C[C@H](NC(=O)c3c[nH]c(=O)cn3)C2)c1-c1nnn[n-]1 ZINC001571279404 945778355 /nfs/dbraw/zinc/77/83/55/945778355.db2.gz NPUUAFQCGRKXPB-KYZUINATSA-N -1 3 387.429 0.335 20 0 GCADHM CC[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001571279448 945778466 /nfs/dbraw/zinc/77/84/66/945778466.db2.gz ORZUEHDFHYJVFN-KZULUSFZSA-N -1 3 387.444 0.684 20 0 GCADHM CC[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001571279448 945778475 /nfs/dbraw/zinc/77/84/75/945778475.db2.gz ORZUEHDFHYJVFN-KZULUSFZSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001571279467 945779470 /nfs/dbraw/zinc/77/94/70/945779470.db2.gz PORHCCOWAOEQEK-JUFZMCDQSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001571279467 945779479 /nfs/dbraw/zinc/77/94/79/945779479.db2.gz PORHCCOWAOEQEK-JUFZMCDQSA-N -1 3 387.444 0.635 20 0 GCADHM CCOC1CC(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001571279477 945779772 /nfs/dbraw/zinc/77/97/72/945779772.db2.gz PTGKEDNEUNFEBM-QRMWWUJWSA-N -1 3 387.444 0.731 20 0 GCADHM CCOC1CC(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001571279477 945779779 /nfs/dbraw/zinc/77/97/79/945779779.db2.gz PTGKEDNEUNFEBM-QRMWWUJWSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)CC2OCCCO2)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571279524 945779827 /nfs/dbraw/zinc/77/98/27/945779827.db2.gz RBAYDHBITXLVJA-TZMCWYRMSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)CC2OCCCO2)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571279524 945779833 /nfs/dbraw/zinc/77/98/33/945779833.db2.gz RBAYDHBITXLVJA-TZMCWYRMSA-N -1 3 387.444 0.888 20 0 GCADHM CCOC1CC(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571279551 945781642 /nfs/dbraw/zinc/78/16/42/945781642.db2.gz RXAAHQQIOQRAET-LKSINWNRSA-N -1 3 387.444 0.588 20 0 GCADHM CCOC1CC(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571279551 945781662 /nfs/dbraw/zinc/78/16/62/945781662.db2.gz RXAAHQQIOQRAET-LKSINWNRSA-N -1 3 387.444 0.588 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279754 945785837 /nfs/dbraw/zinc/78/58/37/945785837.db2.gz UULBNMWAVNJXOC-ZOWXZIJZSA-N -1 3 387.444 0.683 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279754 945785842 /nfs/dbraw/zinc/78/58/42/945785842.db2.gz UULBNMWAVNJXOC-ZOWXZIJZSA-N -1 3 387.444 0.683 20 0 GCADHM COc1csc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571279737 945786054 /nfs/dbraw/zinc/78/60/54/945786054.db2.gz UMEJVPYPZWFFMT-SECBINFHSA-N -1 3 387.425 0.909 20 0 GCADHM COc1csc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571279737 945786061 /nfs/dbraw/zinc/78/60/61/945786061.db2.gz UMEJVPYPZWFFMT-SECBINFHSA-N -1 3 387.425 0.909 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)[C@H]1CCCO1 ZINC001571279757 945786237 /nfs/dbraw/zinc/78/62/37/945786237.db2.gz UVNXPINZTBWQHD-SWLSCSKDSA-N -1 3 387.444 0.827 20 0 GCADHM CN(C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)[C@H]1CCCO1 ZINC001571279757 945786242 /nfs/dbraw/zinc/78/62/42/945786242.db2.gz UVNXPINZTBWQHD-SWLSCSKDSA-N -1 3 387.444 0.827 20 0 GCADHM CO[C@H]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571279719 945786685 /nfs/dbraw/zinc/78/66/85/945786685.db2.gz UDPNLADNFKLQAH-DOMZBBRYSA-N -1 3 387.444 0.731 20 0 GCADHM CO[C@H]1CCC[C@H]1C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571279719 945786692 /nfs/dbraw/zinc/78/66/92/945786692.db2.gz UDPNLADNFKLQAH-DOMZBBRYSA-N -1 3 387.444 0.731 20 0 GCADHM CC[C@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571279713 945786754 /nfs/dbraw/zinc/78/67/54/945786754.db2.gz TUFNLRNOMAHBDS-MIUNTBIASA-N -1 3 387.444 0.731 20 0 GCADHM CC[C@H](OC)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571279713 945786761 /nfs/dbraw/zinc/78/67/61/945786761.db2.gz TUFNLRNOMAHBDS-MIUNTBIASA-N -1 3 387.444 0.731 20 0 GCADHM CO[C@H](C)C(=O)N1CCOC2(CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571279803 945788855 /nfs/dbraw/zinc/78/88/55/945788855.db2.gz WHASLRFIERSZGF-CYBMUJFWSA-N -1 3 387.444 0.494 20 0 GCADHM CO[C@H](C)C(=O)N1CCOC2(CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571279803 945788860 /nfs/dbraw/zinc/78/88/60/945788860.db2.gz WHASLRFIERSZGF-CYBMUJFWSA-N -1 3 387.444 0.494 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnns1 ZINC001571279934 945792362 /nfs/dbraw/zinc/79/23/62/945792362.db2.gz ZTHLKKPYCCDDLQ-SECBINFHSA-N -1 3 387.429 0.329 20 0 GCADHM O=C(NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnns1 ZINC001571279934 945792365 /nfs/dbraw/zinc/79/23/65/945792365.db2.gz ZTHLKKPYCCDDLQ-SECBINFHSA-N -1 3 387.429 0.329 20 0 GCADHM CO[C@H](C(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001571279954 945792441 /nfs/dbraw/zinc/79/24/41/945792441.db2.gz ZZKOTVQHSHSLLK-HNNXBMFYSA-N -1 3 387.444 0.588 20 0 GCADHM CO[C@H](C(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001571279954 945792445 /nfs/dbraw/zinc/79/24/45/945792445.db2.gz ZZKOTVQHSHSLLK-HNNXBMFYSA-N -1 3 387.444 0.588 20 0 GCADHM CCO[C@@H]1C[C@H]1C(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571279950 945793645 /nfs/dbraw/zinc/79/36/45/945793645.db2.gz ZXQREQFJTKNFJN-UKRRQHHQSA-N -1 3 387.444 0.588 20 0 GCADHM CCO[C@@H]1C[C@H]1C(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571279950 945793648 /nfs/dbraw/zinc/79/36/48/945793648.db2.gz ZXQREQFJTKNFJN-UKRRQHHQSA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573447392 945797817 /nfs/dbraw/zinc/79/78/17/945797817.db2.gz YBPVRBGFXFDARW-IUODEOHRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573447392 945797825 /nfs/dbraw/zinc/79/78/25/945797825.db2.gz YBPVRBGFXFDARW-IUODEOHRSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001573447405 945798330 /nfs/dbraw/zinc/79/83/30/945798330.db2.gz YIIKOJLLRZBJNC-OAHLLOKOSA-N -1 3 384.444 0.723 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001573447405 945798345 /nfs/dbraw/zinc/79/83/45/945798345.db2.gz YIIKOJLLRZBJNC-OAHLLOKOSA-N -1 3 384.444 0.723 20 0 GCADHM CCn1nncc1C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281210 945801066 /nfs/dbraw/zinc/80/10/66/945801066.db2.gz FLRRAFKTZGSPPY-LLVKDONJSA-N -1 3 387.473 0.886 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1CC(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573447803 945801695 /nfs/dbraw/zinc/80/16/95/945801695.db2.gz CAIHYMIELCPXNJ-SSDMNJCBSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1CC(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573447803 945801699 /nfs/dbraw/zinc/80/16/99/945801699.db2.gz CAIHYMIELCPXNJ-SSDMNJCBSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573449068 945811463 /nfs/dbraw/zinc/81/14/63/945811463.db2.gz QQVHVCFRUGCFRL-IJLUTSLNSA-N -1 3 390.473 0.702 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573449239 945815696 /nfs/dbraw/zinc/81/56/96/945815696.db2.gz UZAGOWLLYSOOLP-MRXNPFEDSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573449239 945815706 /nfs/dbraw/zinc/81/57/06/945815706.db2.gz UZAGOWLLYSOOLP-MRXNPFEDSA-N -1 3 384.444 0.358 20 0 GCADHM Cc1nc(NC[C@H]2CN(C(=O)[C@@]3(C)CCOC3)CCO2)ccc1-c1nnn[n-]1 ZINC001571281847 945816431 /nfs/dbraw/zinc/81/64/31/945816431.db2.gz AWABPWSECRIJTD-UGSOOPFHSA-N -1 3 387.444 0.636 20 0 GCADHM Cc1nc(NC[C@H]2CN(C(=O)[C@@]3(C)CCOC3)CCO2)ccc1-c1nn[n-]n1 ZINC001571281847 945816437 /nfs/dbraw/zinc/81/64/37/945816437.db2.gz AWABPWSECRIJTD-UGSOOPFHSA-N -1 3 387.444 0.636 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573449346 945820254 /nfs/dbraw/zinc/82/02/54/945820254.db2.gz ZCLVOFISSVLKQN-GZMMTYOYSA-N -1 3 378.462 0.559 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571282091 945828623 /nfs/dbraw/zinc/82/86/23/945828623.db2.gz CXNLUZIBSNRLMQ-OCCSQVGLSA-N -1 3 387.444 0.732 20 0 GCADHM O=C(C[C@@H]1CCCO1)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571282091 945828638 /nfs/dbraw/zinc/82/86/38/945828638.db2.gz CXNLUZIBSNRLMQ-OCCSQVGLSA-N -1 3 387.444 0.732 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573452084 945844670 /nfs/dbraw/zinc/84/46/70/945844670.db2.gz ATAMPIJSEICRLT-BZNIZROVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573452084 945844691 /nfs/dbraw/zinc/84/46/91/945844691.db2.gz ATAMPIJSEICRLT-BZNIZROVSA-N -1 3 386.460 0.873 20 0 GCADHM O=C(NC[C@@H]1CCCCN1C(=O)[C@@H]1CCCCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571282497 945846627 /nfs/dbraw/zinc/84/66/27/945846627.db2.gz IUICATZGNOUHJR-ZFWWWQNUSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(NC[C@@H]1CCCCN1C(=O)[C@@H]1CCCCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571282497 945846644 /nfs/dbraw/zinc/84/66/44/945846644.db2.gz IUICATZGNOUHJR-ZFWWWQNUSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001573452112 945847128 /nfs/dbraw/zinc/84/71/28/945847128.db2.gz BAODAOJFERUVFD-INIZCTEOSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573452112 945847141 /nfs/dbraw/zinc/84/71/41/945847141.db2.gz BAODAOJFERUVFD-INIZCTEOSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573452388 945848412 /nfs/dbraw/zinc/84/84/12/945848412.db2.gz DQYAKTYQNOHAGI-KPZWWZAWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573452388 945848426 /nfs/dbraw/zinc/84/84/26/945848426.db2.gz DQYAKTYQNOHAGI-KPZWWZAWSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1)C1CCCC1 ZINC001573452372 945850733 /nfs/dbraw/zinc/85/07/33/945850733.db2.gz DFMHULVGODSQHH-MEDUHNTESA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1)C1CCCC1 ZINC001573452372 945850747 /nfs/dbraw/zinc/85/07/47/945850747.db2.gz DFMHULVGODSQHH-MEDUHNTESA-N -1 3 386.460 0.873 20 0 GCADHM O=C(COC1CCCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571282587 945852052 /nfs/dbraw/zinc/85/20/52/945852052.db2.gz LJQKJQHFPPOGHQ-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM O=C(COC1CCCCC1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571282587 945852064 /nfs/dbraw/zinc/85/20/64/945852064.db2.gz LJQKJQHFPPOGHQ-CYBMUJFWSA-N -1 3 387.444 0.875 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)c1cccc(C)c1 ZINC000821755440 945852471 /nfs/dbraw/zinc/85/24/71/945852471.db2.gz GKGHCKTYUDKWKU-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)c1cccc(C)c1 ZINC000821755440 945852483 /nfs/dbraw/zinc/85/24/83/945852483.db2.gz GKGHCKTYUDKWKU-OAHLLOKOSA-N -1 3 396.407 0.972 20 0 GCADHM O=C([C@H]1CCOC1)N1CCC(N(CCO)c2ncccc2-c2nnn[n-]2)CC1 ZINC001571282622 945852685 /nfs/dbraw/zinc/85/26/85/945852685.db2.gz LZOWLYHUTFMTIJ-ZDUSSCGKSA-N -1 3 387.444 0.088 20 0 GCADHM O=C([C@H]1CCOC1)N1CCC(N(CCO)c2ncccc2-c2nn[n-]n2)CC1 ZINC001571282622 945852697 /nfs/dbraw/zinc/85/26/97/945852697.db2.gz LZOWLYHUTFMTIJ-ZDUSSCGKSA-N -1 3 387.444 0.088 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)C(C)C ZINC001573452481 945854152 /nfs/dbraw/zinc/85/41/52/945854152.db2.gz FWRQOQUCKJOFBK-SFHVURJKSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)C(C)C ZINC001573452481 945854167 /nfs/dbraw/zinc/85/41/67/945854167.db2.gz FWRQOQUCKJOFBK-SFHVURJKSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nnn[n-]2)CC[S@]1=O ZINC001571282739 945857161 /nfs/dbraw/zinc/85/71/61/945857161.db2.gz PJANCLFAKUGBPG-CCGUKBGLSA-N -1 3 387.462 0.679 20 0 GCADHM C[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nn[n-]n2)CC[S@]1=O ZINC001571282739 945857176 /nfs/dbraw/zinc/85/71/76/945857176.db2.gz PJANCLFAKUGBPG-CCGUKBGLSA-N -1 3 387.462 0.679 20 0 GCADHM CON1CCC(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001571282890 945864817 /nfs/dbraw/zinc/86/48/17/945864817.db2.gz UOZNJEMHOLAQLD-UHFFFAOYSA-N -1 3 387.448 0.119 20 0 GCADHM CON1CCC(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001571282890 945864832 /nfs/dbraw/zinc/86/48/32/945864832.db2.gz UOZNJEMHOLAQLD-UHFFFAOYSA-N -1 3 387.448 0.119 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571282840 945864860 /nfs/dbraw/zinc/86/48/60/945864860.db2.gz SNMLIWGRRKCZAB-OLZOCXBDSA-N -1 3 387.444 0.590 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571282840 945864877 /nfs/dbraw/zinc/86/48/77/945864877.db2.gz SNMLIWGRRKCZAB-OLZOCXBDSA-N -1 3 387.444 0.590 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC001573453766 945865560 /nfs/dbraw/zinc/86/55/60/945865560.db2.gz PNPPQAXGCMJMFC-ZBEGNZNMSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC001573453766 945865576 /nfs/dbraw/zinc/86/55/76/945865576.db2.gz PNPPQAXGCMJMFC-ZBEGNZNMSA-N -1 3 386.460 0.873 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCOC2(CN(CC[C@@H]3CCCO3)C2)C1 ZINC001571282887 945866027 /nfs/dbraw/zinc/86/60/27/945866027.db2.gz UNJMHNGEESRWBY-AWEZNQCLSA-N -1 3 387.444 0.291 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCOC2(CN(CC[C@@H]3CCCO3)C2)C1 ZINC001571282887 945866039 /nfs/dbraw/zinc/86/60/39/945866039.db2.gz UNJMHNGEESRWBY-AWEZNQCLSA-N -1 3 387.444 0.291 20 0 GCADHM O=C(CO[C@H]1CCOC1)N1CCC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571282841 945866907 /nfs/dbraw/zinc/86/69/07/945866907.db2.gz SQGVYWCUBNDCDD-KBPBESRZSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(CO[C@H]1CCOC1)N1CCC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571282841 945866916 /nfs/dbraw/zinc/86/69/16/945866916.db2.gz SQGVYWCUBNDCDD-KBPBESRZSA-N -1 3 387.444 0.718 20 0 GCADHM O=C(CC1CCCCC1)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001571282913 945867248 /nfs/dbraw/zinc/86/72/48/945867248.db2.gz VLZWUOHKBZANST-CABCVRRESA-N -1 3 387.444 0.467 20 0 GCADHM O=C(CC1CCCCC1)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001571282913 945867262 /nfs/dbraw/zinc/86/72/62/945867262.db2.gz VLZWUOHKBZANST-CABCVRRESA-N -1 3 387.444 0.467 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571282945 945868771 /nfs/dbraw/zinc/86/87/71/945868771.db2.gz WJRHYFYKTIFNRL-FZKQIMNGSA-N -1 3 387.444 0.454 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571282945 945868782 /nfs/dbraw/zinc/86/87/82/945868782.db2.gz WJRHYFYKTIFNRL-FZKQIMNGSA-N -1 3 387.444 0.454 20 0 GCADHM O=C(C[C@H]1CCCO1)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571282958 945870347 /nfs/dbraw/zinc/87/03/47/945870347.db2.gz WRFRKXPWPOFLIR-FZKQIMNGSA-N -1 3 387.444 0.596 20 0 GCADHM O=C(C[C@H]1CCCO1)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571282958 945870358 /nfs/dbraw/zinc/87/03/58/945870358.db2.gz WRFRKXPWPOFLIR-FZKQIMNGSA-N -1 3 387.444 0.596 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CN(C)c1ncccc1-c1nnn[n-]1)C(C)C ZINC001573454302 945874089 /nfs/dbraw/zinc/87/40/89/945874089.db2.gz WWCNCSDHVHLVCC-SGTLLEGYSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CN(C)c1ncccc1-c1nn[n-]n1)C(C)C ZINC001573454302 945874099 /nfs/dbraw/zinc/87/40/99/945874099.db2.gz WWCNCSDHVHLVCC-SGTLLEGYSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573455605 945883810 /nfs/dbraw/zinc/88/38/10/945883810.db2.gz FPORDEPAEPMEIV-ZDUSSCGKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573455605 945883816 /nfs/dbraw/zinc/88/38/16/945883816.db2.gz FPORDEPAEPMEIV-ZDUSSCGKSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573455835 945884311 /nfs/dbraw/zinc/88/43/11/945884311.db2.gz GYICGYNHAQQIKN-YPMHNXCESA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573455835 945884324 /nfs/dbraw/zinc/88/43/24/945884324.db2.gz GYICGYNHAQQIKN-YPMHNXCESA-N -1 3 386.460 0.683 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)c3c(Cl)cnn3C)C2)n1 ZINC001571283551 945887321 /nfs/dbraw/zinc/88/73/21/945887321.db2.gz GGTRLHDGKOLVJF-JTQLQIEISA-N -1 3 387.835 0.966 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)c3c(Cl)cnn3C)C2)n1 ZINC001571283551 945887331 /nfs/dbraw/zinc/88/73/31/945887331.db2.gz GGTRLHDGKOLVJF-JTQLQIEISA-N -1 3 387.835 0.966 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573456309 945889294 /nfs/dbraw/zinc/88/92/94/945889294.db2.gz IPFVCFUMEARIGF-NSHDSACASA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573456961 945899513 /nfs/dbraw/zinc/89/95/13/945899513.db2.gz QKYXYUYQIMLVFM-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573456961 945899520 /nfs/dbraw/zinc/89/95/20/945899520.db2.gz QKYXYUYQIMLVFM-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCCN(C)c1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573457012 945903018 /nfs/dbraw/zinc/90/30/18/945903018.db2.gz RUNGLKVUCTXJRY-SFHVURJKSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@](C)(C(=O)NCCN(C)c1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573457012 945903033 /nfs/dbraw/zinc/90/30/33/945903033.db2.gz RUNGLKVUCTXJRY-SFHVURJKSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573457218 945903769 /nfs/dbraw/zinc/90/37/69/945903769.db2.gz UHKPXCVAXUVSAX-SECBINFHSA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573457218 945903775 /nfs/dbraw/zinc/90/37/75/945903775.db2.gz UHKPXCVAXUVSAX-SECBINFHSA-N -1 3 378.412 0.574 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573457273 945904251 /nfs/dbraw/zinc/90/42/51/945904251.db2.gz VFXMEZVPWPDIEM-BXUZGUMPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573457273 945904257 /nfs/dbraw/zinc/90/42/57/945904257.db2.gz VFXMEZVPWPDIEM-BXUZGUMPSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573458953 945909960 /nfs/dbraw/zinc/90/99/60/945909960.db2.gz BHSSQHOTHMJDHU-LLVKDONJSA-N -1 3 392.489 0.949 20 0 GCADHM O=C(NC1CN(C[C@@H](O)c2ccccc2Cl)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571285198 945910609 /nfs/dbraw/zinc/91/06/09/945910609.db2.gz ZKROLUIZCGWTFQ-OAHLLOKOSA-N -1 3 387.831 0.996 20 0 GCADHM O=C(NC1CN(C[C@@H](O)c2ccccc2Cl)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571285198 945910620 /nfs/dbraw/zinc/91/06/20/945910620.db2.gz ZKROLUIZCGWTFQ-OAHLLOKOSA-N -1 3 387.831 0.996 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573459017 945913407 /nfs/dbraw/zinc/91/34/07/945913407.db2.gz CUAJAXJVHSZFCW-QMTHXVAHSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573459017 945913412 /nfs/dbraw/zinc/91/34/12/945913412.db2.gz CUAJAXJVHSZFCW-QMTHXVAHSA-N -1 3 386.460 0.744 20 0 GCADHM CC1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001571285342 945913921 /nfs/dbraw/zinc/91/39/21/945913921.db2.gz BPQNFJLACDAHBC-LLVKDONJSA-N -1 3 388.407 0.162 20 0 GCADHM CC1(NC(=O)[C@H]2CNC(=O)N2)CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001571285342 945913923 /nfs/dbraw/zinc/91/39/23/945913923.db2.gz BPQNFJLACDAHBC-LLVKDONJSA-N -1 3 388.407 0.162 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C[C@H]1C(=O)OC ZINC001571285417 945915315 /nfs/dbraw/zinc/91/53/15/945915315.db2.gz DBIDKXYLQVSPTJ-TXEJJXNPSA-N -1 3 388.384 0.601 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C[C@H]1C(=O)OC ZINC001571285417 945915324 /nfs/dbraw/zinc/91/53/24/945915324.db2.gz DBIDKXYLQVSPTJ-TXEJJXNPSA-N -1 3 388.384 0.601 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c(F)cncc2F)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571285415 945915429 /nfs/dbraw/zinc/91/54/29/945915429.db2.gz DAPFSJWIOBEWLZ-QMMMGPOBSA-N -1 3 388.338 0.513 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)c2c(F)cncc2F)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571285415 945915443 /nfs/dbraw/zinc/91/54/43/945915443.db2.gz DAPFSJWIOBEWLZ-QMMMGPOBSA-N -1 3 388.338 0.513 20 0 GCADHM COc1nc(C(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)C2)co1 ZINC001571285424 945915463 /nfs/dbraw/zinc/91/54/63/945915463.db2.gz DCLXOQRRMPLINU-SNVBAGLBSA-N -1 3 388.363 0.796 20 0 GCADHM COc1nc(C(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)C2)co1 ZINC001571285424 945915467 /nfs/dbraw/zinc/91/54/67/945915467.db2.gz DCLXOQRRMPLINU-SNVBAGLBSA-N -1 3 388.363 0.796 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C[C@@H]1C(=O)OC ZINC001571285416 945916304 /nfs/dbraw/zinc/91/63/04/945916304.db2.gz DBIDKXYLQVSPTJ-RYUDHWBXSA-N -1 3 388.384 0.601 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C[C@@H]1C(=O)OC ZINC001571285416 945916309 /nfs/dbraw/zinc/91/63/09/945916309.db2.gz DBIDKXYLQVSPTJ-RYUDHWBXSA-N -1 3 388.384 0.601 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573460225 945917971 /nfs/dbraw/zinc/91/79/71/945917971.db2.gz KEWFEIJCIYSKEC-VIFPVBQESA-N -1 3 378.412 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573460225 945917984 /nfs/dbraw/zinc/91/79/84/945917984.db2.gz KEWFEIJCIYSKEC-VIFPVBQESA-N -1 3 378.412 0.622 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@H]1CCCO1)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571285520 945920616 /nfs/dbraw/zinc/92/06/16/945920616.db2.gz HJPCTXLVNKCZST-NXEZZACHSA-N -1 3 387.849 0.728 20 0 GCADHM O=S(=O)(N[C@@H](CO)C[C@H]1CCCO1)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571285520 945920627 /nfs/dbraw/zinc/92/06/27/945920627.db2.gz HJPCTXLVNKCZST-NXEZZACHSA-N -1 3 387.849 0.728 20 0 GCADHM COCc1nocc1C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571285574 945920646 /nfs/dbraw/zinc/92/06/46/945920646.db2.gz IVUNVASUGJUSPP-JTQLQIEISA-N -1 3 388.363 0.862 20 0 GCADHM COCc1nocc1C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571285574 945920655 /nfs/dbraw/zinc/92/06/55/945920655.db2.gz IVUNVASUGJUSPP-JTQLQIEISA-N -1 3 388.363 0.862 20 0 GCADHM O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)N1C[C@@H](O)[C@H](CO)C1 ZINC001571285592 945921094 /nfs/dbraw/zinc/92/10/94/945921094.db2.gz JJYXSQIHHZIKEM-JOYOIKCWSA-N -1 3 388.363 0.008 20 0 GCADHM O=C(N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)C1=CCOCC1 ZINC001571285618 945922241 /nfs/dbraw/zinc/92/22/41/945922241.db2.gz JZWPFXGLQJAAPA-ZFWWWQNUSA-N -1 3 388.403 0.408 20 0 GCADHM O=C(N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)C1=CCOCC1 ZINC001571285618 945922253 /nfs/dbraw/zinc/92/22/53/945922253.db2.gz JZWPFXGLQJAAPA-ZFWWWQNUSA-N -1 3 388.403 0.408 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573461912 945924797 /nfs/dbraw/zinc/92/47/97/945924797.db2.gz UCEGDQFSDJAOJU-UHFFFAOYSA-N -1 3 391.407 0.754 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573461912 945924802 /nfs/dbraw/zinc/92/48/02/945924802.db2.gz UCEGDQFSDJAOJU-UHFFFAOYSA-N -1 3 391.407 0.754 20 0 GCADHM NS(=O)(=O)C[C@H]1CCN(c2ncc(Br)cc2-c2nnn[n-]2)C1 ZINC001571285927 945932634 /nfs/dbraw/zinc/93/26/34/945932634.db2.gz RLERVTBIVOWYKL-ZETCQYMHSA-N -1 3 388.251 0.139 20 0 GCADHM NS(=O)(=O)C[C@H]1CCN(c2ncc(Br)cc2-c2nn[n-]n2)C1 ZINC001571285927 945932642 /nfs/dbraw/zinc/93/26/42/945932642.db2.gz RLERVTBIVOWYKL-ZETCQYMHSA-N -1 3 388.251 0.139 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573462123 945932968 /nfs/dbraw/zinc/93/29/68/945932968.db2.gz AFJGZHOMMRBSKD-OCCSQVGLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573462123 945932973 /nfs/dbraw/zinc/93/29/73/945932973.db2.gz AFJGZHOMMRBSKD-OCCSQVGLSA-N -1 3 386.460 0.873 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571285946 945933005 /nfs/dbraw/zinc/93/30/05/945933005.db2.gz RXPCBVMWYOQCGS-ZIAGYGMSSA-N -1 3 388.403 0.363 20 0 GCADHM COC(=O)[C@@H]1C[C@H]1C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571285946 945933010 /nfs/dbraw/zinc/93/30/10/945933010.db2.gz RXPCBVMWYOQCGS-ZIAGYGMSSA-N -1 3 388.403 0.363 20 0 GCADHM Cc1ocnc1C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001571285975 945933250 /nfs/dbraw/zinc/93/32/50/945933250.db2.gz TXZHGQFKFSHNPR-NEPJUHHUSA-N -1 3 388.363 0.067 20 0 GCADHM Cc1ocnc1C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001571285975 945933255 /nfs/dbraw/zinc/93/32/55/945933255.db2.gz TXZHGQFKFSHNPR-NEPJUHHUSA-N -1 3 388.363 0.067 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573462335 945936084 /nfs/dbraw/zinc/93/60/84/945936084.db2.gz GUTCWUVJKGCNSU-AAEUAGOBSA-N -1 3 386.460 0.650 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573462335 945936092 /nfs/dbraw/zinc/93/60/92/945936092.db2.gz GUTCWUVJKGCNSU-AAEUAGOBSA-N -1 3 386.460 0.650 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3cc(Cl)n(C)n3)C2)ccc1-c1nnn[n-]1 ZINC001571286109 945936415 /nfs/dbraw/zinc/93/64/15/945936415.db2.gz YCKGVVNHGCNXFS-JTQLQIEISA-N -1 3 387.835 0.966 20 0 GCADHM Cc1nc(N2CC[C@H](NC(=O)c3cc(Cl)n(C)n3)C2)ccc1-c1nn[n-]n1 ZINC001571286109 945936425 /nfs/dbraw/zinc/93/64/25/945936425.db2.gz YCKGVVNHGCNXFS-JTQLQIEISA-N -1 3 387.835 0.966 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573462443 945942005 /nfs/dbraw/zinc/94/20/05/945942005.db2.gz JSVHROAWUXUGEC-UHFFFAOYSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573462443 945942016 /nfs/dbraw/zinc/94/20/16/945942016.db2.gz JSVHROAWUXUGEC-UHFFFAOYSA-N -1 3 375.408 0.221 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCCN1c1ncccc1-c1nnn[n-]1 ZINC001573462534 945942563 /nfs/dbraw/zinc/94/25/63/945942563.db2.gz KWZDYYNWZRYKPG-ZDUSSCGKSA-N -1 3 386.460 0.652 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573462534 945942572 /nfs/dbraw/zinc/94/25/72/945942572.db2.gz KWZDYYNWZRYKPG-ZDUSSCGKSA-N -1 3 386.460 0.652 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ncnn2CCF)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571286449 945947585 /nfs/dbraw/zinc/94/75/85/945947585.db2.gz IEDQYKHWIWTSQW-NSHDSACASA-N -1 3 388.411 0.150 20 0 GCADHM O=C(N[C@H]1CCCN(Cc2ncnn2CCF)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571286449 945947592 /nfs/dbraw/zinc/94/75/92/945947592.db2.gz IEDQYKHWIWTSQW-NSHDSACASA-N -1 3 388.411 0.150 20 0 GCADHM COc1ncc(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1-c1nnn[n-]1 ZINC001571286424 945948370 /nfs/dbraw/zinc/94/83/70/945948370.db2.gz HJMJGOWECZNARU-ZIAGYGMSSA-N -1 3 388.432 0.333 20 0 GCADHM COc1ncc(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1-c1nnn[n-]1 ZINC001571286422 945948443 /nfs/dbraw/zinc/94/84/43/945948443.db2.gz HJMJGOWECZNARU-KGLIPLIRSA-N -1 3 388.432 0.333 20 0 GCADHM COC(=O)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571286519 945950669 /nfs/dbraw/zinc/95/06/69/945950669.db2.gz JUHHFPUHDWLXFW-CQSZACIVSA-N -1 3 388.409 0.797 20 0 GCADHM COC(=O)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571286519 945950672 /nfs/dbraw/zinc/95/06/72/945950672.db2.gz JUHHFPUHDWLXFW-CQSZACIVSA-N -1 3 388.409 0.797 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573463208 945951495 /nfs/dbraw/zinc/95/14/95/945951495.db2.gz TVRCGXQDKBUEBA-OCCSQVGLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573463208 945951498 /nfs/dbraw/zinc/95/14/98/945951498.db2.gz TVRCGXQDKBUEBA-OCCSQVGLSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573463181 945952041 /nfs/dbraw/zinc/95/20/41/945952041.db2.gz SISBLZGSQZQYAF-CQSZACIVSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573463181 945952050 /nfs/dbraw/zinc/95/20/50/945952050.db2.gz SISBLZGSQZQYAF-CQSZACIVSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573463154 945952103 /nfs/dbraw/zinc/95/21/03/945952103.db2.gz RPRCQJYPQCEMQA-CYBMUJFWSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573463154 945952114 /nfs/dbraw/zinc/95/21/14/945952114.db2.gz RPRCQJYPQCEMQA-CYBMUJFWSA-N -1 3 389.435 0.611 20 0 GCADHM Cc1c(NC(=O)c2cc3c(n2C)n(C)c(=O)n(C)c3=O)cccc1-c1nn[n-]n1 ZINC000822108283 945961504 /nfs/dbraw/zinc/96/15/04/945961504.db2.gz GTVSMCMZPJZRIW-UHFFFAOYSA-N -1 3 394.395 0.317 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1 ZINC001573464126 945963046 /nfs/dbraw/zinc/96/30/46/945963046.db2.gz GDHZXUTWUKMEAX-DFBGVHRSSA-N -1 3 384.444 0.402 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1 ZINC001573464126 945963052 /nfs/dbraw/zinc/96/30/52/945963052.db2.gz GDHZXUTWUKMEAX-DFBGVHRSSA-N -1 3 384.444 0.402 20 0 GCADHM O=C(CN1CCCNC1=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571286931 945963310 /nfs/dbraw/zinc/96/33/10/945963310.db2.gz WAWHIZVSFDBQQG-XYPYZODXSA-N -1 3 388.407 0.480 20 0 GCADHM O=C(CN1CCCNC1=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571286931 945963316 /nfs/dbraw/zinc/96/33/16/945963316.db2.gz WAWHIZVSFDBQQG-XYPYZODXSA-N -1 3 388.407 0.480 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573463989 945963534 /nfs/dbraw/zinc/96/35/34/945963534.db2.gz FNWANEAUEBYWIW-CYBMUJFWSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573463989 945963547 /nfs/dbraw/zinc/96/35/47/945963547.db2.gz FNWANEAUEBYWIW-CYBMUJFWSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573463966 945964327 /nfs/dbraw/zinc/96/43/27/945964327.db2.gz DVTBGBXAASMWEI-SNVBAGLBSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573463966 945964336 /nfs/dbraw/zinc/96/43/36/945964336.db2.gz DVTBGBXAASMWEI-SNVBAGLBSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCC1(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573465208 945971576 /nfs/dbraw/zinc/97/15/76/945971576.db2.gz VGSLPRCRDKAQMG-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NC(C)(C)C(=O)NCCC1(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573465208 945971586 /nfs/dbraw/zinc/97/15/86/945971586.db2.gz VGSLPRCRDKAQMG-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573467595 945981605 /nfs/dbraw/zinc/98/16/05/945981605.db2.gz FTCWMEVMOVRGKG-UMSPYCQHSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573467595 945981616 /nfs/dbraw/zinc/98/16/16/945981616.db2.gz FTCWMEVMOVRGKG-UMSPYCQHSA-N -1 3 390.423 0.622 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573467794 945987005 /nfs/dbraw/zinc/98/70/05/945987005.db2.gz IFQKGNWJHPTXOD-ABAIWWIYSA-N -1 3 389.435 0.563 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573468401 945994780 /nfs/dbraw/zinc/99/47/80/945994780.db2.gz NSBLIDFAHKSCCR-CYBMUJFWSA-N -1 3 388.476 0.768 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(CCN(C)c1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573468401 945994787 /nfs/dbraw/zinc/99/47/87/945994787.db2.gz NSBLIDFAHKSCCR-CYBMUJFWSA-N -1 3 388.476 0.768 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H](CNc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573468632 945997367 /nfs/dbraw/zinc/99/73/67/945997367.db2.gz PZZOKUHYJLLATP-SKDRFNHKSA-N -1 3 392.489 0.805 20 0 GCADHM CC(C)(F)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC001571289207 945997499 /nfs/dbraw/zinc/99/74/99/945997499.db2.gz XFMCAZHPCCLBHV-CQSZACIVSA-N -1 3 388.451 0.733 20 0 GCADHM CC(C)(F)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC001571289207 945997508 /nfs/dbraw/zinc/99/75/08/945997508.db2.gz XFMCAZHPCCLBHV-CQSZACIVSA-N -1 3 388.451 0.733 20 0 GCADHM Cc1nsc(N2CC[C@H](CNC(=O)c3cnn(C)c3N)C2)c1-c1nnn[n-]1 ZINC001571289508 946009259 /nfs/dbraw/zinc/00/92/59/946009259.db2.gz GGEKFOYUOFCEBA-SECBINFHSA-N -1 3 388.461 0.204 20 0 GCADHM Cc1nnc(CC(=O)N2CCC[C@@H]2CNc2snc(C)c2-c2nnn[n-]2)[nH]1 ZINC001571289495 946010705 /nfs/dbraw/zinc/01/07/05/946010705.db2.gz FYEUWJXOQCDRQX-SNVBAGLBSA-N -1 3 388.461 0.704 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573470019 946014390 /nfs/dbraw/zinc/01/43/90/946014390.db2.gz ASMSYGGBTFMVDY-PWSUYJOCSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573470019 946014403 /nfs/dbraw/zinc/01/44/03/946014403.db2.gz ASMSYGGBTFMVDY-PWSUYJOCSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573470479 946027648 /nfs/dbraw/zinc/02/76/48/946027648.db2.gz FQDNRMNWYYQXBN-MFKMUULPSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573470479 946027658 /nfs/dbraw/zinc/02/76/58/946027658.db2.gz FQDNRMNWYYQXBN-MFKMUULPSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573470487 946028268 /nfs/dbraw/zinc/02/82/68/946028268.db2.gz FSOCGINBHVOXNX-MWLCHTKSSA-N -1 3 378.462 0.559 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573470486 946028336 /nfs/dbraw/zinc/02/83/36/946028336.db2.gz FSOCGINBHVOXNX-KOLCDFICSA-N -1 3 378.462 0.559 20 0 GCADHM Cc1nsc(N2CCC(N(C)C(=O)c3ncn(C)n3)CC2)c1-c1nnn[n-]1 ZINC001571290068 946030010 /nfs/dbraw/zinc/03/00/10/946030010.db2.gz UNXSDUPTKPDAIK-UHFFFAOYSA-N -1 3 388.461 0.501 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573470717 946033728 /nfs/dbraw/zinc/03/37/28/946033728.db2.gz JKMQVOJOENLWKA-SNVBAGLBSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573470717 946033740 /nfs/dbraw/zinc/03/37/40/946033740.db2.gz JKMQVOJOENLWKA-SNVBAGLBSA-N -1 3 390.423 0.353 20 0 GCADHM CO[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1NC(=O)c1ccn(C)c1 ZINC001571290238 946035838 /nfs/dbraw/zinc/03/58/38/946035838.db2.gz YKNLSXUWVHVKLP-VXGBXAGGSA-N -1 3 388.457 0.604 20 0 GCADHM Cc1nsc(N2CCCO[C@H](CNC(=O)c3cc[nH]c3)C2)c1-c1nnn[n-]1 ZINC001571290278 946035969 /nfs/dbraw/zinc/03/59/69/946035969.db2.gz ZGPZDMGUINKTSQ-GFCCVEGCSA-N -1 3 388.457 0.985 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573470854 946036146 /nfs/dbraw/zinc/03/61/46/946036146.db2.gz KEPIWYBGGZFCBM-RTXFEEFZSA-N -1 3 389.485 0.628 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[n-]n2)s1 ZINC001573470854 946036158 /nfs/dbraw/zinc/03/61/58/946036158.db2.gz KEPIWYBGGZFCBM-RTXFEEFZSA-N -1 3 389.485 0.628 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)c3cc(Cl)c[nH]3)[C@@H](O)C2)n1 ZINC001571290362 946037802 /nfs/dbraw/zinc/03/78/02/946037802.db2.gz BZTQTIXWXTWTRD-OLZOCXBDSA-N -1 3 388.819 0.531 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)c3cc(Cl)c[nH]3)[C@@H](O)C2)n1 ZINC001571290362 946037817 /nfs/dbraw/zinc/03/78/17/946037817.db2.gz BZTQTIXWXTWTRD-OLZOCXBDSA-N -1 3 388.819 0.531 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573470931 946041051 /nfs/dbraw/zinc/04/10/51/946041051.db2.gz LDPMGRIKWXAVER-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573470931 946041063 /nfs/dbraw/zinc/04/10/63/946041063.db2.gz LDPMGRIKWXAVER-NWDGAFQWSA-N -1 3 386.460 0.825 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)Cc1nnc[nH]1 ZINC001571290525 946045005 /nfs/dbraw/zinc/04/50/05/946045005.db2.gz HYNPALUVNNHVSQ-GZMMTYOYSA-N -1 3 388.823 0.677 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)C2)c1N ZINC001571290589 946047930 /nfs/dbraw/zinc/04/79/30/946047930.db2.gz JNDLQKOHUWIRJP-VIFPVBQESA-N -1 3 388.823 0.240 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)C2)c1N ZINC001571290589 946047945 /nfs/dbraw/zinc/04/79/45/946047945.db2.gz JNDLQKOHUWIRJP-VIFPVBQESA-N -1 3 388.823 0.240 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573471372 946049504 /nfs/dbraw/zinc/04/95/04/946049504.db2.gz OHYQLLPJCPQGAD-QFYYESIMSA-N -1 3 392.489 0.807 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573472176 946061757 /nfs/dbraw/zinc/06/17/57/946061757.db2.gz UHKFTIYJGXZHHS-CMPLNLGQSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573472176 946061771 /nfs/dbraw/zinc/06/17/71/946061771.db2.gz UHKFTIYJGXZHHS-CMPLNLGQSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C(C)(C)C1 ZINC001573472352 946063375 /nfs/dbraw/zinc/06/33/75/946063375.db2.gz VQILSQHCEXLOHD-RISCZKNCSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C(C)(C)C1 ZINC001573472352 946063385 /nfs/dbraw/zinc/06/33/85/946063385.db2.gz VQILSQHCEXLOHD-RISCZKNCSA-N -1 3 386.460 0.744 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573472627 946066614 /nfs/dbraw/zinc/06/66/14/946066614.db2.gz WRSISQQMSFDBET-WCFLWFBJSA-N -1 3 387.419 0.710 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573472627 946066625 /nfs/dbraw/zinc/06/66/25/946066625.db2.gz WRSISQQMSFDBET-WCFLWFBJSA-N -1 3 387.419 0.710 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001571291218 946072566 /nfs/dbraw/zinc/07/25/66/946072566.db2.gz GMYBKXWDFUGOJS-UHFFFAOYSA-N -1 3 389.397 0.436 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cccc(F)c2F)C[C@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571291236 946073526 /nfs/dbraw/zinc/07/35/26/946073526.db2.gz GYORHHNDDXKQEW-ZIAGYGMSSA-N -1 3 389.366 0.448 20 0 GCADHM O=C(N[C@@H]1CN(Cc2cccc(F)c2F)C[C@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571291236 946073543 /nfs/dbraw/zinc/07/35/43/946073543.db2.gz GYORHHNDDXKQEW-ZIAGYGMSSA-N -1 3 389.366 0.448 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573472995 946074313 /nfs/dbraw/zinc/07/43/13/946074313.db2.gz YTRVQWRZBDKQFD-XIKOKIGWSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573472995 946074325 /nfs/dbraw/zinc/07/43/25/946074325.db2.gz YTRVQWRZBDKQFD-XIKOKIGWSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573473204 946075454 /nfs/dbraw/zinc/07/54/54/946075454.db2.gz AQCMSWQHEFVUPH-ZJUUUORDSA-N -1 3 377.474 0.389 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573473154 946077512 /nfs/dbraw/zinc/07/75/12/946077512.db2.gz ZSPULDNOOBNWAO-CMPLNLGQSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573473154 946077523 /nfs/dbraw/zinc/07/75/23/946077523.db2.gz ZSPULDNOOBNWAO-CMPLNLGQSA-N -1 3 375.408 0.933 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573473203 946077641 /nfs/dbraw/zinc/07/76/41/946077641.db2.gz AQCMSWQHEFVUPH-VHSXEESVSA-N -1 3 377.474 0.389 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@]2(C)C1 ZINC001573473303 946078853 /nfs/dbraw/zinc/07/88/53/946078853.db2.gz BHGTYLOQAURAJW-SRBZOADZSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@]2(C)C1 ZINC001573473303 946078870 /nfs/dbraw/zinc/07/88/70/946078870.db2.gz BHGTYLOQAURAJW-SRBZOADZSA-N -1 3 384.444 0.071 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573473384 946080528 /nfs/dbraw/zinc/08/05/28/946080528.db2.gz CBCMBCBAELHLAD-NSHDSACASA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573473384 946080537 /nfs/dbraw/zinc/08/05/37/946080537.db2.gz CBCMBCBAELHLAD-NSHDSACASA-N -1 3 375.408 0.569 20 0 GCADHM COC(=O)[C@@H](C)N(CC(F)F)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C 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/nfs/dbraw/zinc/08/37/35/946083735.db2.gz QQBQAZPDQKXJGE-WDEREUQCSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CC1OCCCO1 ZINC001571291825 946084090 /nfs/dbraw/zinc/08/40/90/946084090.db2.gz QQBQAZPDQKXJGE-QWRGUYRKSA-N -1 3 389.416 0.067 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CC1OCCCO1 ZINC001571291825 946084099 /nfs/dbraw/zinc/08/40/99/946084099.db2.gz QQBQAZPDQKXJGE-QWRGUYRKSA-N -1 3 389.416 0.067 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573473957 946086188 /nfs/dbraw/zinc/08/61/88/946086188.db2.gz HKUQWTZLFJPBLL-DYEKYZERSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573473957 946086201 /nfs/dbraw/zinc/08/62/01/946086201.db2.gz HKUQWTZLFJPBLL-DYEKYZERSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H](C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573474086 946086934 /nfs/dbraw/zinc/08/69/34/946086934.db2.gz 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Cc1nnc(CC(=O)N2CC[C@@H](Nc3snc(C)c3-c3nnn[n-]3)[C@@H]2C)o1 ZINC001571293222 946099250 /nfs/dbraw/zinc/09/92/50/946099250.db2.gz BOGXZSKTBCUASS-WCBMZHEXSA-N -1 3 389.445 0.967 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2O)co1 ZINC001571293203 946099420 /nfs/dbraw/zinc/09/94/20/946099420.db2.gz BBXUXPRFASJROL-RYUDHWBXSA-N -1 3 389.441 0.903 20 0 GCADHM CC1(C)CO[C@H](CN2CCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001571293297 946101796 /nfs/dbraw/zinc/10/17/96/946101796.db2.gz DNTJOQPGLWJZBD-UONOGXRCSA-N -1 3 389.460 0.441 20 0 GCADHM CC1(C)CO[C@H](CN2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001571293297 946101799 /nfs/dbraw/zinc/10/17/99/946101799.db2.gz DNTJOQPGLWJZBD-UONOGXRCSA-N -1 3 389.460 0.441 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]21 ZINC001573475593 946102062 /nfs/dbraw/zinc/10/20/62/946102062.db2.gz VZSNUAXKMMTQNO-OSAQELSMSA-N -1 3 384.444 0.132 20 0 GCADHM 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ZINC001573476365 946116258 /nfs/dbraw/zinc/11/62/58/946116258.db2.gz FXGMZRUYOVHYLH-SECBINFHSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573476365 946116263 /nfs/dbraw/zinc/11/62/63/946116263.db2.gz FXGMZRUYOVHYLH-SECBINFHSA-N -1 3 392.851 0.525 20 0 GCADHM Cc1nc(NC[C@H]2CN(C(=O)[C@H](O)C(C)C)CCCO2)ccc1-c1nnn[n-]1 ZINC001571293850 946119108 /nfs/dbraw/zinc/11/91/08/946119108.db2.gz UAIQJUVZXQTTQJ-XJKSGUPXSA-N -1 3 389.460 0.616 20 0 GCADHM Cc1nc(NC[C@H]2CN(C(=O)[C@H](O)C(C)C)CCCO2)ccc1-c1nn[n-]n1 ZINC001571293850 946119117 /nfs/dbraw/zinc/11/91/17/946119117.db2.gz UAIQJUVZXQTTQJ-XJKSGUPXSA-N -1 3 389.460 0.616 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1ncccc1-c1nnn[n-]1)C2 ZINC001573476664 946122934 /nfs/dbraw/zinc/12/29/34/946122934.db2.gz ILXDQSVTTBKQQS-IHUQTEBDSA-N -1 3 384.444 0.626 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1ncccc1-c1nn[n-]n1)C2 ZINC001573476664 946122941 /nfs/dbraw/zinc/12/29/41/946122941.db2.gz ILXDQSVTTBKQQS-IHUQTEBDSA-N -1 3 384.444 0.626 20 0 GCADHM Cc1nsc(N2CC[C@H](N(C)C(=O)c3[nH]c(=O)[nH]c3C)C2)c1-c1nnn[n-]1 ZINC001571294027 946123355 /nfs/dbraw/zinc/12/33/55/946123355.db2.gz YPCRVFKOSXEAFV-VIFPVBQESA-N -1 3 389.445 0.720 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1ncccc1-c1nnn[n-]1)C2 ZINC001573476663 946123276 /nfs/dbraw/zinc/12/32/76/946123276.db2.gz ILXDQSVTTBKQQS-CUYUZAHUSA-N -1 3 384.444 0.626 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1ncccc1-c1nn[n-]n1)C2 ZINC001573476663 946123285 /nfs/dbraw/zinc/12/32/85/946123285.db2.gz ILXDQSVTTBKQQS-CUYUZAHUSA-N -1 3 384.444 0.626 20 0 GCADHM Cn1nc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cc1Cl ZINC001571294180 946127407 /nfs/dbraw/zinc/12/74/07/946127407.db2.gz AIAJBHGYAVZKCA-MRVPVSSYSA-N -1 3 389.807 0.226 20 0 GCADHM Cn1nc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cc1Cl ZINC001571294180 946127415 /nfs/dbraw/zinc/12/74/15/946127415.db2.gz AIAJBHGYAVZKCA-MRVPVSSYSA-N -1 3 389.807 0.226 20 0 GCADHM O=C(NC1CCN(c2cc(Cl)c(=O)[nH]n2)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571294194 946128343 /nfs/dbraw/zinc/12/83/43/946128343.db2.gz AMCSQEXUTMVNKC-UHFFFAOYSA-N -1 3 389.807 0.743 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573477075 946128543 /nfs/dbraw/zinc/12/85/43/946128543.db2.gz MLUYEDXJXZXREW-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573477075 946128546 /nfs/dbraw/zinc/12/85/46/946128546.db2.gz MLUYEDXJXZXREW-GFCCVEGCSA-N -1 3 386.460 0.936 20 0 GCADHM Cc1sc(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000822558911 946129125 /nfs/dbraw/zinc/12/91/25/946129125.db2.gz SWXIZWLEODKHNH-SNVBAGLBSA-N -1 3 399.502 0.107 20 0 GCADHM Cc1sc(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000822558911 946129134 /nfs/dbraw/zinc/12/91/34/946129134.db2.gz SWXIZWLEODKHNH-SNVBAGLBSA-N -1 3 399.502 0.107 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573477133 946130124 /nfs/dbraw/zinc/13/01/24/946130124.db2.gz NGZWMABPORUASK-RISCZKNCSA-N -1 3 389.435 0.611 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573477133 946130132 /nfs/dbraw/zinc/13/01/32/946130132.db2.gz NGZWMABPORUASK-RISCZKNCSA-N -1 3 389.435 0.611 20 0 GCADHM Cn1c2ccncc2n(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)c1=O ZINC000822596043 946133536 /nfs/dbraw/zinc/13/35/36/946133536.db2.gz GPDMEZKDCMSNGS-UHFFFAOYSA-N -1 3 391.439 0.695 20 0 GCADHM Cn1c2ccncc2n(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)c1=O ZINC000822596043 946133545 /nfs/dbraw/zinc/13/35/45/946133545.db2.gz GPDMEZKDCMSNGS-UHFFFAOYSA-N -1 3 391.439 0.695 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573477346 946134023 /nfs/dbraw/zinc/13/40/23/946134023.db2.gz OVZURBFRMMQLDQ-XHDPSFHLSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573477346 946134030 /nfs/dbraw/zinc/13/40/30/946134030.db2.gz OVZURBFRMMQLDQ-XHDPSFHLSA-N -1 3 384.444 0.261 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573477381 946134102 /nfs/dbraw/zinc/13/41/02/946134102.db2.gz PMJCCIQNCSRVBQ-IUCAKERBSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573477381 946134111 /nfs/dbraw/zinc/13/41/11/946134111.db2.gz PMJCCIQNCSRVBQ-IUCAKERBSA-N -1 3 380.840 0.746 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573477356 946134218 /nfs/dbraw/zinc/13/42/18/946134218.db2.gz PCTSVQVBZDHRET-ONGXEEELSA-N -1 3 378.462 0.241 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccc(-c4nnn[n-]4)cc3F)cnc21 ZINC000822590652 946134339 /nfs/dbraw/zinc/13/43/39/946134339.db2.gz LNWHOUZPSIKLJD-UHFFFAOYSA-N -1 3 397.326 0.710 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)OCc3ccc(-c4nn[n-]n4)cc3F)cnc21 ZINC000822590652 946134342 /nfs/dbraw/zinc/13/43/42/946134342.db2.gz LNWHOUZPSIKLJD-UHFFFAOYSA-N -1 3 397.326 0.710 20 0 GCADHM O=C([C@@H]1CCCO1)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]2C1 ZINC001571294461 946137195 /nfs/dbraw/zinc/13/71/95/946137195.db2.gz HSCXACWLJNXGPV-SCRDCRAPSA-N -1 3 389.847 0.989 20 0 GCADHM O=C([C@@H]1CCCO1)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]2C1 ZINC001571294461 946137200 /nfs/dbraw/zinc/13/72/00/946137200.db2.gz HSCXACWLJNXGPV-SCRDCRAPSA-N -1 3 389.847 0.989 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573477570 946138839 /nfs/dbraw/zinc/13/88/39/946138839.db2.gz RUOLEUVMNCLLNF-QGHHPUGFSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573477570 946138845 /nfs/dbraw/zinc/13/88/45/946138845.db2.gz RUOLEUVMNCLLNF-QGHHPUGFSA-N -1 3 375.408 0.615 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(Cl)n1 ZINC001571294809 946144769 /nfs/dbraw/zinc/14/47/69/946144769.db2.gz MLMWJYQOTAIQHE-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(Cl)n1 ZINC001571294809 946144775 /nfs/dbraw/zinc/14/47/75/946144775.db2.gz MLMWJYQOTAIQHE-VIFPVBQESA-N -1 3 389.807 0.226 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)CC1(C)C ZINC001573478252 946145631 /nfs/dbraw/zinc/14/56/31/946145631.db2.gz WEHHVWMBFLBEBX-MWLCHTKSSA-N -1 3 392.489 0.487 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573478861 946152190 /nfs/dbraw/zinc/15/21/90/946152190.db2.gz ZBICOLWBQUXJLG-IUCAKERBSA-N -1 3 380.840 0.381 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573478861 946152193 /nfs/dbraw/zinc/15/21/93/946152193.db2.gz ZBICOLWBQUXJLG-IUCAKERBSA-N -1 3 380.840 0.381 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573478990 946154883 /nfs/dbraw/zinc/15/48/83/946154883.db2.gz ZYXBOYPEOJFJER-JNHNWMDNSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573478990 946154895 /nfs/dbraw/zinc/15/48/95/946154895.db2.gz ZYXBOYPEOJFJER-JNHNWMDNSA-N -1 3 376.396 0.232 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000822674676 946156059 /nfs/dbraw/zinc/15/60/59/946156059.db2.gz ZIMOEJFRJAEHAJ-CYBMUJFWSA-N -1 3 394.395 0.157 20 0 GCADHM Cn1cc(C[C@@H]2CC(=O)N(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000822674676 946156068 /nfs/dbraw/zinc/15/60/68/946156068.db2.gz ZIMOEJFRJAEHAJ-CYBMUJFWSA-N -1 3 394.395 0.157 20 0 GCADHM Cc1nsc(N(C)[C@H]2CCCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)c1-c1nnn[n-]1 ZINC001571295399 946162555 /nfs/dbraw/zinc/16/25/55/946162555.db2.gz RWCVJGFDPCFAAJ-CIQGVGRVSA-N -1 3 389.485 0.951 20 0 GCADHM Cc1nsc(N2C[C@@H](NC(=O)C3CC4(CCC4)C3)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571295468 946163783 /nfs/dbraw/zinc/16/37/83/946163783.db2.gz UKSGYTSEONCMFI-NEPJUHHUSA-N -1 3 389.485 0.878 20 0 GCADHM Cn1ncc2cc(C(=O)N3CCN(c4ncccc4-c4nnn[n-]4)CC3)cnc21 ZINC000822710088 946164379 /nfs/dbraw/zinc/16/43/79/946164379.db2.gz YJBZJDSGHBNALY-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM Cn1ncc2cc(C(=O)N3CCN(c4ncccc4-c4nn[n-]n4)CC3)cnc21 ZINC000822710088 946164393 /nfs/dbraw/zinc/16/43/93/946164393.db2.gz YJBZJDSGHBNALY-UHFFFAOYSA-N -1 3 390.411 0.506 20 0 GCADHM CO[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@H]1CCOC1 ZINC001571295653 946168984 /nfs/dbraw/zinc/16/89/84/946168984.db2.gz AYLDUSUHGPCQGP-IUIKQTSFSA-N -1 3 390.419 0.358 20 0 GCADHM O=C(C[C@@H]1CCCOC1)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001571295885 946176645 /nfs/dbraw/zinc/17/66/45/946176645.db2.gz IODNYAQLVJLWQA-LNSITVRQSA-N -1 3 390.419 0.488 20 0 GCADHM O=C(C[C@@H]1CCCOC1)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001571295885 946176658 /nfs/dbraw/zinc/17/66/58/946176658.db2.gz IODNYAQLVJLWQA-LNSITVRQSA-N -1 3 390.419 0.488 20 0 GCADHM Cc1conc1C(=O)N1CCO[C@@H](CNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571295944 946180060 /nfs/dbraw/zinc/18/00/60/946180060.db2.gz KCHYEAIAIWYZMF-JTQLQIEISA-N -1 3 390.429 0.881 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573481615 946183970 /nfs/dbraw/zinc/18/39/70/946183970.db2.gz PZPKXBLOCBNKMH-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573481615 946183977 /nfs/dbraw/zinc/18/39/77/946183977.db2.gz PZPKXBLOCBNKMH-GFCCVEGCSA-N -1 3 386.460 0.509 20 0 GCADHM COC[C@@]1(C(=O)OC(C)(C)C)CN(Cc2cc(-c3nnn[n-]3)ccn2)CCO1 ZINC001571296357 946192503 /nfs/dbraw/zinc/19/25/03/946192503.db2.gz VOCPRMTVDGNHBV-GOSISDBHSA-N -1 3 390.444 0.821 20 0 GCADHM COC[C@@]1(C(=O)OC(C)(C)C)CN(Cc2cc(-c3nn[n-]n3)ccn2)CCO1 ZINC001571296357 946192508 /nfs/dbraw/zinc/19/25/08/946192508.db2.gz VOCPRMTVDGNHBV-GOSISDBHSA-N -1 3 390.444 0.821 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573482276 946193476 /nfs/dbraw/zinc/19/34/76/946193476.db2.gz VZZLCDLGXGRDKL-OTYXRUKQSA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573482276 946193482 /nfs/dbraw/zinc/19/34/82/946193482.db2.gz VZZLCDLGXGRDKL-OTYXRUKQSA-N -1 3 375.408 0.837 20 0 GCADHM C[C@@]1(NC(=O)[C@H]2COCCO2)CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571296439 946195149 /nfs/dbraw/zinc/19/51/49/946195149.db2.gz YEPJCKVCHISWSZ-CRAIPNDOSA-N -1 3 390.419 0.502 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573482446 946195686 /nfs/dbraw/zinc/19/56/86/946195686.db2.gz WQCPVUVAZKCGHN-ZYHUDNBSSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573482446 946195689 /nfs/dbraw/zinc/19/56/89/946195689.db2.gz WQCPVUVAZKCGHN-ZYHUDNBSSA-N -1 3 375.408 0.615 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@H]1COCCO1 ZINC001571296460 946195838 /nfs/dbraw/zinc/19/58/38/946195838.db2.gz YPSVHMHALWDJEZ-CZUORRHYSA-N -1 3 390.419 0.502 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@H]1COCCO1 ZINC001571296460 946195842 /nfs/dbraw/zinc/19/58/42/946195842.db2.gz YPSVHMHALWDJEZ-CZUORRHYSA-N -1 3 390.419 0.502 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)[C@@H]1COCCO1 ZINC001571296459 946196333 /nfs/dbraw/zinc/19/63/33/946196333.db2.gz YPSVHMHALWDJEZ-CJNGLKHVSA-N -1 3 390.419 0.502 20 0 GCADHM O=C(N[C@@H]1CCCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@@H]1COCCO1 ZINC001571296459 946196343 /nfs/dbraw/zinc/19/63/43/946196343.db2.gz YPSVHMHALWDJEZ-CJNGLKHVSA-N -1 3 390.419 0.502 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573482595 946198020 /nfs/dbraw/zinc/19/80/20/946198020.db2.gz YKOJEMDKUWCLDJ-ZYHUDNBSSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573482595 946198026 /nfs/dbraw/zinc/19/80/26/946198026.db2.gz YKOJEMDKUWCLDJ-ZYHUDNBSSA-N -1 3 390.423 0.258 20 0 GCADHM Cc1nsc(N2CC[C@@H](NC(=O)[C@H]3CCCC(=O)N3C)C2)c1-c1nnn[n-]1 ZINC001571297943 946200556 /nfs/dbraw/zinc/20/05/56/946200556.db2.gz FGCWYZYKTDBRBO-GHMZBOCLSA-N -1 3 390.473 0.337 20 0 GCADHM Cc1nsc(N2CC[C@@H](NC(=O)[C@@H]3CCCC(=O)N3C)C2)c1-c1nnn[n-]1 ZINC001571297944 946202453 /nfs/dbraw/zinc/20/24/53/946202453.db2.gz FGCWYZYKTDBRBO-MNOVXSKESA-N -1 3 390.473 0.337 20 0 GCADHM CSc1ccc(CNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nnn[n-]1 ZINC001571298037 946203658 /nfs/dbraw/zinc/20/36/58/946203658.db2.gz HXQXIDWJWMYBKK-XPTSAGLGSA-N -1 3 390.469 0.480 20 0 GCADHM CSc1ccc(CNC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nn[n-]n1 ZINC001571298037 946203669 /nfs/dbraw/zinc/20/36/69/946203669.db2.gz HXQXIDWJWMYBKK-XPTSAGLGSA-N -1 3 390.469 0.480 20 0 GCADHM Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3C)[C@H]2C)c1-c1nnn[n-]1 ZINC001571298001 946203730 /nfs/dbraw/zinc/20/37/30/946203730.db2.gz GTLMGYRYWCTNLA-OUAUKWLOSA-N -1 3 390.473 0.336 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573483244 946206234 /nfs/dbraw/zinc/20/62/34/946206234.db2.gz CQLRYHSXBPUYGY-JLLWLGSASA-N -1 3 375.408 0.837 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573483244 946206243 /nfs/dbraw/zinc/20/62/43/946206243.db2.gz CQLRYHSXBPUYGY-JLLWLGSASA-N -1 3 375.408 0.837 20 0 GCADHM NC(=O)[C@@H](C1CC1)N(CC1CC1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001571298101 946206615 /nfs/dbraw/zinc/20/66/15/946206615.db2.gz JMRSTVOYAAYLQX-OAHLLOKOSA-N -1 3 390.469 0.672 20 0 GCADHM NC(=O)[C@@H](C1CC1)N(CC1CC1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001571298101 946206622 /nfs/dbraw/zinc/20/66/22/946206622.db2.gz JMRSTVOYAAYLQX-OAHLLOKOSA-N -1 3 390.469 0.672 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573483612 946208324 /nfs/dbraw/zinc/20/83/24/946208324.db2.gz GCKMUPPNUSWIJM-KCPJHIHWSA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573483612 946208335 /nfs/dbraw/zinc/20/83/35/946208335.db2.gz GCKMUPPNUSWIJM-KCPJHIHWSA-N -1 3 386.460 0.934 20 0 GCADHM Cc1nsc(N2CC[C@@H](NC(=O)C[C@H]3CCCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571298251 946211002 /nfs/dbraw/zinc/21/10/02/946211002.db2.gz LGRDPSNYNGQWSL-GHMZBOCLSA-N -1 3 390.473 0.385 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573484415 946216495 /nfs/dbraw/zinc/21/64/95/946216495.db2.gz KXZBDIZYDFRUSO-UISBYWKRSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573484415 946216503 /nfs/dbraw/zinc/21/65/03/946216503.db2.gz KXZBDIZYDFRUSO-UISBYWKRSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573484407 946218183 /nfs/dbraw/zinc/21/81/83/946218183.db2.gz KXZBDIZYDFRUSO-PEXQALLHSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573484407 946218194 /nfs/dbraw/zinc/21/81/94/946218194.db2.gz KXZBDIZYDFRUSO-PEXQALLHSA-N -1 3 376.396 0.232 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCCC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573484615 946218895 /nfs/dbraw/zinc/21/88/95/946218895.db2.gz MZRVUGGAVQHBAY-GHMZBOCLSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCCCC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573484615 946218905 /nfs/dbraw/zinc/21/89/05/946218905.db2.gz MZRVUGGAVQHBAY-GHMZBOCLSA-N -1 3 390.448 0.124 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573484953 946219445 /nfs/dbraw/zinc/21/94/45/946219445.db2.gz OHVAVOOJIKGVSQ-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)NCCC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573484953 946219457 /nfs/dbraw/zinc/21/94/57/946219457.db2.gz OHVAVOOJIKGVSQ-LBPRGKRZSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1C ZINC001573485384 946222557 /nfs/dbraw/zinc/22/25/57/946222557.db2.gz RMJYTCNZTXVJPN-YRGRVCCFSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1C ZINC001573485384 946222567 /nfs/dbraw/zinc/22/25/67/946222567.db2.gz RMJYTCNZTXVJPN-YRGRVCCFSA-N -1 3 386.460 0.365 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571298728 946226542 /nfs/dbraw/zinc/22/65/42/946226542.db2.gz CLQMESIFXCYPOW-JTQLQIEISA-N -1 3 390.835 0.090 20 0 GCADHM O=C([C@H]1CCC(=O)NC1)N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571298728 946226551 /nfs/dbraw/zinc/22/65/51/946226551.db2.gz CLQMESIFXCYPOW-JTQLQIEISA-N -1 3 390.835 0.090 20 0 GCADHM Cc1nsc(N[C@H]2CCCN(C(=O)[C@]3(C)CCC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571298735 946227465 /nfs/dbraw/zinc/22/74/65/946227465.db2.gz QEGBNDKTXRWGQI-QFYYESIMSA-N -1 3 390.473 0.703 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001571298721 946228582 /nfs/dbraw/zinc/22/85/82/946228582.db2.gz PVGSKIJCPSANCF-CQSZACIVSA-N -1 3 390.469 0.436 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCC2)S(=O)(=O)CC1 ZINC001571298721 946228595 /nfs/dbraw/zinc/22/85/95/946228595.db2.gz PVGSKIJCPSANCF-CQSZACIVSA-N -1 3 390.469 0.436 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573485628 946228653 /nfs/dbraw/zinc/22/86/53/946228653.db2.gz WVPBXLIXLVNWAU-KCPJHIHWSA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573485628 946228671 /nfs/dbraw/zinc/22/86/71/946228671.db2.gz WVPBXLIXLVNWAU-KCPJHIHWSA-N -1 3 386.460 0.934 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573486570 946244169 /nfs/dbraw/zinc/24/41/69/946244169.db2.gz HDDWKFBLHMAWKG-XDTLVQLUSA-N -1 3 390.423 0.765 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573486570 946244181 /nfs/dbraw/zinc/24/41/81/946244181.db2.gz HDDWKFBLHMAWKG-XDTLVQLUSA-N -1 3 390.423 0.765 20 0 GCADHM O=C(CCn1cncn1)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000822986931 946247918 /nfs/dbraw/zinc/24/79/18/946247918.db2.gz NCYGOSBBLJKCRC-UHFFFAOYSA-N -1 3 383.416 0.448 20 0 GCADHM O=C(CCn1cncn1)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000822986931 946247929 /nfs/dbraw/zinc/24/79/29/946247929.db2.gz NCYGOSBBLJKCRC-UHFFFAOYSA-N -1 3 383.416 0.448 20 0 GCADHM Cc1nsc(NCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571299446 946251352 /nfs/dbraw/zinc/25/13/52/946251352.db2.gz WJYXZQHKABVKTG-NSHDSACASA-N -1 3 390.473 0.561 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)C1=COCCC1 ZINC001571299497 946251772 /nfs/dbraw/zinc/25/17/72/946251772.db2.gz WMGFTOJFWILDIV-ZIAGYGMSSA-N -1 3 390.469 0.674 20 0 GCADHM Cc1nsc(N[C@H]2CCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)c1-c1nnn[n-]1 ZINC001571299558 946254785 /nfs/dbraw/zinc/25/47/85/946254785.db2.gz XDQUHVRWMYBGAU-MNOVXSKESA-N -1 3 390.473 0.561 20 0 GCADHM O=C(CN1CCCCC1=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000822998096 946258862 /nfs/dbraw/zinc/25/88/62/946258862.db2.gz YTKXTACPSYLJHB-UHFFFAOYSA-N -1 3 399.455 0.779 20 0 GCADHM O=C(CN1CCCCC1=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000822998096 946258870 /nfs/dbraw/zinc/25/88/70/946258870.db2.gz YTKXTACPSYLJHB-UHFFFAOYSA-N -1 3 399.455 0.779 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCOCc1ccccc1 ZINC000823005332 946262883 /nfs/dbraw/zinc/26/28/83/946262883.db2.gz MNGZZSQPKGYXBI-UHFFFAOYSA-N -1 3 380.408 0.930 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCOCc1ccccc1 ZINC000823005332 946262892 /nfs/dbraw/zinc/26/28/92/946262892.db2.gz MNGZZSQPKGYXBI-UHFFFAOYSA-N -1 3 380.408 0.930 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573488076 946263747 /nfs/dbraw/zinc/26/37/47/946263747.db2.gz XUYGACZMSGLJAS-FDEJFUCISA-N -1 3 384.444 0.321 20 0 GCADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573488076 946263756 /nfs/dbraw/zinc/26/37/56/946263756.db2.gz XUYGACZMSGLJAS-FDEJFUCISA-N -1 3 384.444 0.321 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823009261 946264003 /nfs/dbraw/zinc/26/40/03/946264003.db2.gz BHVNLIODCJPHMV-CABCVRRESA-N -1 3 390.469 0.847 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OCC(=O)C1CCC1 ZINC000823009606 946266705 /nfs/dbraw/zinc/26/67/05/946266705.db2.gz OVLKGLIJHKUYRD-UHFFFAOYSA-N -1 3 379.398 0.057 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OCC(=O)C1CCC1 ZINC000823009606 946266716 /nfs/dbraw/zinc/26/67/16/946266716.db2.gz OVLKGLIJHKUYRD-UHFFFAOYSA-N -1 3 379.398 0.057 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573488614 946270107 /nfs/dbraw/zinc/27/01/07/946270107.db2.gz FZZDWBQIMLMYBP-SNVBAGLBSA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)NC1(C(=O)N[C@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573488614 946270116 /nfs/dbraw/zinc/27/01/16/946270116.db2.gz FZZDWBQIMLMYBP-SNVBAGLBSA-N -1 3 390.423 0.766 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488813 946278559 /nfs/dbraw/zinc/27/85/59/946278559.db2.gz MSOWOOYTBHKWEJ-LBPRGKRZSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)N(C)C[C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488813 946278569 /nfs/dbraw/zinc/27/85/69/946278569.db2.gz MSOWOOYTBHKWEJ-LBPRGKRZSA-N -1 3 386.460 0.969 20 0 GCADHM CC(=O)NC1(C(=O)NCCN(C)Cc2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC001573488914 946280156 /nfs/dbraw/zinc/28/01/56/946280156.db2.gz PRASINMWYUFNEO-UHFFFAOYSA-N -1 3 391.501 0.925 20 0 GCADHM CC1(C)CN(C(=O)[C@H]2COCCO2)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571301795 946282205 /nfs/dbraw/zinc/28/22/05/946282205.db2.gz DOXUHLVYUWHEHK-CHWSQXEVSA-N -1 3 391.407 0.465 20 0 GCADHM CC1(C)CN(C(=O)[C@H]2COCCO2)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571301795 946282217 /nfs/dbraw/zinc/28/22/17/946282217.db2.gz DOXUHLVYUWHEHK-CHWSQXEVSA-N -1 3 391.407 0.465 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 ZINC001571301803 946283137 /nfs/dbraw/zinc/28/31/37/946283137.db2.gz DSQCQZFGLAVSIL-XHVZSJERSA-N -1 3 391.382 0.913 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)[C@@H]2C1 ZINC001571301803 946283148 /nfs/dbraw/zinc/28/31/48/946283148.db2.gz DSQCQZFGLAVSIL-XHVZSJERSA-N -1 3 391.382 0.913 20 0 GCADHM O=C(COc1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000823031873 946283558 /nfs/dbraw/zinc/28/35/58/946283558.db2.gz IOXBOFDPCKRCJE-GJZGRUSLSA-N -1 3 391.453 0.814 20 0 GCADHM CN(C(=O)C1(F)CCOCC1)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571301889 946285596 /nfs/dbraw/zinc/28/55/96/946285596.db2.gz HAITXZKJHFFNLK-UHFFFAOYSA-N -1 3 391.407 0.433 20 0 GCADHM CN(C(=O)C1(F)CCOCC1)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571301889 946285608 /nfs/dbraw/zinc/28/56/08/946285608.db2.gz HAITXZKJHFFNLK-UHFFFAOYSA-N -1 3 391.407 0.433 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)CCCC1 ZINC001573489130 946287846 /nfs/dbraw/zinc/28/78/46/946287846.db2.gz YFRGFJYQMYCCEA-NSHDSACASA-N -1 3 386.460 0.936 20 0 GCADHM CC(=O)NC1(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)CCCC1 ZINC001573489130 946287856 /nfs/dbraw/zinc/28/78/56/946287856.db2.gz YFRGFJYQMYCCEA-NSHDSACASA-N -1 3 386.460 0.936 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571301907 946288619 /nfs/dbraw/zinc/28/86/19/946288619.db2.gz HNLADQLQKRXJSB-DGCLKSJQSA-N -1 3 391.407 0.467 20 0 GCADHM O=C(C[C@H]1CCOC1)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571301907 946288626 /nfs/dbraw/zinc/28/86/26/946288626.db2.gz HNLADQLQKRXJSB-DGCLKSJQSA-N -1 3 391.407 0.467 20 0 GCADHM COC1CC(C(=O)NC[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)CCO2)C1 ZINC001571302103 946291952 /nfs/dbraw/zinc/29/19/52/946291952.db2.gz ORYLDKKQBITASH-KGPNIALWSA-N -1 3 391.407 0.147 20 0 GCADHM COC1CC(C(=O)NC[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)CCO2)C1 ZINC001571302103 946291964 /nfs/dbraw/zinc/29/19/64/946291964.db2.gz ORYLDKKQBITASH-KGPNIALWSA-N -1 3 391.407 0.147 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C(F)F)c1 ZINC001571302084 946293082 /nfs/dbraw/zinc/29/30/82/946293082.db2.gz NPTSYGWBJCSNMC-AOOOYVTPSA-N -1 3 391.342 0.477 20 0 GCADHM O=C(N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C(F)F)c1 ZINC001571302084 946293093 /nfs/dbraw/zinc/29/30/93/946293093.db2.gz NPTSYGWBJCSNMC-AOOOYVTPSA-N -1 3 391.342 0.477 20 0 GCADHM O=C(NC1CCC(NC(=O)[C@]2(F)CCOC2)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571302127 946293115 /nfs/dbraw/zinc/29/31/15/946293115.db2.gz PFCWATODEVGKLT-MFGLSYLJSA-N -1 3 391.407 0.481 20 0 GCADHM O=C(NC1CCC(NC(=O)[C@]2(F)CCOC2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571302127 946293128 /nfs/dbraw/zinc/29/31/28/946293128.db2.gz PFCWATODEVGKLT-MFGLSYLJSA-N -1 3 391.407 0.481 20 0 GCADHM C[C@@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CN1C(=O)CC1OCCCO1 ZINC001571302167 946295763 /nfs/dbraw/zinc/29/57/63/946295763.db2.gz QEXZENPDKAHEBD-PWSUYJOCSA-N -1 3 391.407 0.955 20 0 GCADHM C[C@@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CN1C(=O)CC1OCCCO1 ZINC001571302167 946295772 /nfs/dbraw/zinc/29/57/72/946295772.db2.gz QEXZENPDKAHEBD-PWSUYJOCSA-N -1 3 391.407 0.955 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)C[C@H]21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571302178 946295973 /nfs/dbraw/zinc/29/59/73/946295973.db2.gz QKTBSOHYULSMAV-QISWUMQESA-N -1 3 391.382 0.817 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)C[C@H]21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571302178 946295985 /nfs/dbraw/zinc/29/59/85/946295985.db2.gz QKTBSOHYULSMAV-QISWUMQESA-N -1 3 391.382 0.817 20 0 GCADHM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001571302446 946303057 /nfs/dbraw/zinc/30/30/57/946303057.db2.gz YANDRZMDJWXGHO-GFCCVEGCSA-N -1 3 391.384 0.300 20 0 GCADHM COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001571302446 946303068 /nfs/dbraw/zinc/30/30/68/946303068.db2.gz YANDRZMDJWXGHO-GFCCVEGCSA-N -1 3 391.384 0.300 20 0 GCADHM COc1ccc(CNS(C)(=O)=O)cc1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571302411 946303359 /nfs/dbraw/zinc/30/33/59/946303359.db2.gz WZSMQKOCNSDDPG-UHFFFAOYSA-N -1 3 391.413 0.505 20 0 GCADHM COc1ccc(CNS(C)(=O)=O)cc1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571302411 946303369 /nfs/dbraw/zinc/30/33/69/946303369.db2.gz WZSMQKOCNSDDPG-UHFFFAOYSA-N -1 3 391.413 0.505 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F)[C@@H]1COCCO1 ZINC001571302459 946304461 /nfs/dbraw/zinc/30/44/61/946304461.db2.gz YHAXDCMQKHVEIJ-MCIONIFRSA-N -1 3 391.407 0.656 20 0 GCADHM O=C(N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F)[C@@H]1COCCO1 ZINC001571302459 946304472 /nfs/dbraw/zinc/30/44/72/946304472.db2.gz YHAXDCMQKHVEIJ-MCIONIFRSA-N -1 3 391.407 0.656 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2ncncc2C1 ZINC001571302604 946308451 /nfs/dbraw/zinc/30/84/51/946308451.db2.gz CPVVDRPPCCMVTE-DOMZBBRYSA-N -1 3 391.439 0.552 20 0 GCADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2ncncc2C1 ZINC001571302604 946308464 /nfs/dbraw/zinc/30/84/64/946308464.db2.gz CPVVDRPPCCMVTE-DOMZBBRYSA-N -1 3 391.439 0.552 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)[C@H]1Cc2ccccc21 ZINC001571302727 946311990 /nfs/dbraw/zinc/31/19/90/946311990.db2.gz ACUORVJUFUTESW-WBVHZDCISA-N -1 3 391.435 0.923 20 0 GCADHM O=C(NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)[C@H]1Cc2ccccc21 ZINC001571302727 946311996 /nfs/dbraw/zinc/31/19/96/946311996.db2.gz ACUORVJUFUTESW-WBVHZDCISA-N -1 3 391.435 0.923 20 0 GCADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)OCCN1C(=O)NC2(CCCC2)C1=O ZINC000823111507 946316637 /nfs/dbraw/zinc/31/66/37/946316637.db2.gz LAPHEKPSRXLPRJ-UHFFFAOYSA-N -1 3 384.396 0.817 20 0 GCADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)OCCN1C(=O)NC2(CCCC2)C1=O ZINC000823111507 946316650 /nfs/dbraw/zinc/31/66/50/946316650.db2.gz LAPHEKPSRXLPRJ-UHFFFAOYSA-N -1 3 384.396 0.817 20 0 GCADHM CC(=O)N[C@@H]1CC2(CN(Cc3ccc(-c4nnn[n-]4)cc3F)C2)n2ccnc21 ZINC001573496386 946324605 /nfs/dbraw/zinc/32/46/05/946324605.db2.gz ZHIXWUUPGSSDBM-OAHLLOKOSA-N -1 3 382.403 0.994 20 0 GCADHM CC(=O)N[C@@H]1CC2(CN(Cc3ccc(-c4nn[n-]n4)cc3F)C2)n2ccnc21 ZINC001573496386 946324616 /nfs/dbraw/zinc/32/46/16/946324616.db2.gz ZHIXWUUPGSSDBM-OAHLLOKOSA-N -1 3 382.403 0.994 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573496927 946337007 /nfs/dbraw/zinc/33/70/07/946337007.db2.gz HNPXQNWWAHHVFQ-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573496927 946337021 /nfs/dbraw/zinc/33/70/21/946337021.db2.gz HNPXQNWWAHHVFQ-GOEBONIOSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573496928 946337646 /nfs/dbraw/zinc/33/76/46/946337646.db2.gz HNPXQNWWAHHVFQ-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573496928 946337660 /nfs/dbraw/zinc/33/76/60/946337660.db2.gz HNPXQNWWAHHVFQ-HOCLYGCPSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CC2(CCOCC2)C1 ZINC001573497112 946340820 /nfs/dbraw/zinc/34/08/20/946340820.db2.gz LAPOWODFXCORJU-CYBMUJFWSA-N -1 3 375.408 0.912 20 0 GCADHM CC(=O)N[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CC2(CCOCC2)C1 ZINC001573497112 946340831 /nfs/dbraw/zinc/34/08/31/946340831.db2.gz LAPOWODFXCORJU-CYBMUJFWSA-N -1 3 375.408 0.912 20 0 GCADHM Cc1cc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)ncc1-c1nnn[n-]1 ZINC001571303882 946349280 /nfs/dbraw/zinc/34/92/80/946349280.db2.gz RWSQBINNMXNGOK-UHFFFAOYSA-N -1 3 391.438 0.750 20 0 GCADHM Cc1cc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)ncc1-c1nn[n-]n1 ZINC001571303882 946349285 /nfs/dbraw/zinc/34/92/85/946349285.db2.gz RWSQBINNMXNGOK-UHFFFAOYSA-N -1 3 391.438 0.750 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1cnn(CC(F)F)c1 ZINC000823250380 946357938 /nfs/dbraw/zinc/35/79/38/946357938.db2.gz WGDBPLDLPFEAOA-UHFFFAOYSA-N -1 3 394.317 0.722 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1cnn(CC(F)F)c1 ZINC000823250380 946357948 /nfs/dbraw/zinc/35/79/48/946357948.db2.gz WGDBPLDLPFEAOA-UHFFFAOYSA-N -1 3 394.317 0.722 20 0 GCADHM CC(=O)NCC(=O)N(C)C[C@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573500451 946374381 /nfs/dbraw/zinc/37/43/81/946374381.db2.gz JUAQYTIOTDDYTQ-CQSZACIVSA-N -1 3 375.408 0.175 20 0 GCADHM O=C(NCC1CC(Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCCS1(=O)=O ZINC001571305785 946375303 /nfs/dbraw/zinc/37/53/03/946375303.db2.gz CUCXORXNFHNHGZ-GDKBPFBDSA-N -1 3 391.457 0.146 20 0 GCADHM O=C(NCC1CC(Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCCS1(=O)=O ZINC001571305785 946375314 /nfs/dbraw/zinc/37/53/14/946375314.db2.gz CUCXORXNFHNHGZ-GDKBPFBDSA-N -1 3 391.457 0.146 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573501416 946380661 /nfs/dbraw/zinc/38/06/61/946380661.db2.gz OOMZEMHHJWJFBV-PRHODGIISA-N -1 3 378.824 0.310 20 0 GCADHM CC(=O)NCC(=O)N1C[C@@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573501416 946380669 /nfs/dbraw/zinc/38/06/69/946380669.db2.gz OOMZEMHHJWJFBV-PRHODGIISA-N -1 3 378.824 0.310 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001571305937 946382370 /nfs/dbraw/zinc/38/23/70/946382370.db2.gz DXNKDPDSSYRWAP-MMPTUQATSA-N -1 3 391.457 0.288 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001571305937 946382380 /nfs/dbraw/zinc/38/23/80/946382380.db2.gz DXNKDPDSSYRWAP-MMPTUQATSA-N -1 3 391.457 0.288 20 0 GCADHM COC(=O)C1=NO[C@@]2(CCN(C(=O)c3ncc(-c4nnn[n-]4)cc3Cl)C2)C1 ZINC001571306139 946388980 /nfs/dbraw/zinc/38/89/80/946388980.db2.gz QCCXMSXACTUAIL-HNNXBMFYSA-N -1 3 391.775 0.449 20 0 GCADHM COC(=O)C1=NO[C@@]2(CCN(C(=O)c3ncc(-c4nn[n-]n4)cc3Cl)C2)C1 ZINC001571306139 946388994 /nfs/dbraw/zinc/38/89/94/946388994.db2.gz QCCXMSXACTUAIL-HNNXBMFYSA-N -1 3 391.775 0.449 20 0 GCADHM Cc1nsc(N2CCC[C@@H](CNC(=O)C3=COCCO3)C2)c1-c1nnn[n-]1 ZINC001571306426 946400721 /nfs/dbraw/zinc/40/07/21/946400721.db2.gz KRLCCWCOMWWXCP-NSHDSACASA-N -1 3 391.457 0.852 20 0 GCADHM CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)C1 ZINC001571306522 946402382 /nfs/dbraw/zinc/40/23/82/946402382.db2.gz WQEWBNAQYQKKLE-ZKCHVHJHSA-N -1 3 391.862 0.374 20 0 GCADHM CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)C1 ZINC001571306522 946402390 /nfs/dbraw/zinc/40/23/90/946402390.db2.gz WQEWBNAQYQKKLE-ZKCHVHJHSA-N -1 3 391.862 0.374 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573503999 946404832 /nfs/dbraw/zinc/40/48/32/946404832.db2.gz DCSJACXJIIUAAV-WFASDCNBSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573503999 946404838 /nfs/dbraw/zinc/40/48/38/946404838.db2.gz DCSJACXJIIUAAV-WFASDCNBSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3ncccc3-c3nnn[n-]3)CC[C@@H]21 ZINC001573504315 946410066 /nfs/dbraw/zinc/41/00/66/946410066.db2.gz GZNWSNAJTMAFMI-ZFWWWQNUSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]2CN(c3ncccc3-c3nn[n-]n3)CC[C@@H]21 ZINC001573504315 946410075 /nfs/dbraw/zinc/41/00/75/946410075.db2.gz GZNWSNAJTMAFMI-ZFWWWQNUSA-N -1 3 384.444 0.215 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573504523 946410524 /nfs/dbraw/zinc/41/05/24/946410524.db2.gz HGQGHKXOAROICH-BXUZGUMPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573504523 946410530 /nfs/dbraw/zinc/41/05/30/946410530.db2.gz HGQGHKXOAROICH-BXUZGUMPSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1CN(C)c1snc(C)c1-c1nnn[n-]1 ZINC001573504603 946411026 /nfs/dbraw/zinc/41/10/26/946411026.db2.gz HTDNINBWJXZSSW-NSHDSACASA-N -1 3 378.462 0.195 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCNc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573504695 946413091 /nfs/dbraw/zinc/41/30/91/946413091.db2.gz IRUIYYOUNYAIOX-UHFFFAOYSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)NCC(=O)N1CCC(CCNc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573504695 946413099 /nfs/dbraw/zinc/41/30/99/946413099.db2.gz IRUIYYOUNYAIOX-UHFFFAOYSA-N -1 3 386.460 0.747 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CN(C)c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573504819 946414949 /nfs/dbraw/zinc/41/49/49/946414949.db2.gz KTTRIXBQGVSRLD-NSHDSACASA-N -1 3 378.462 0.052 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]([C@H](C)Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573504769 946415035 /nfs/dbraw/zinc/41/50/35/946415035.db2.gz JLJUWDIMSQGKAQ-ONGXEEELSA-N -1 3 376.396 0.186 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]([C@H](C)Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573504769 946415043 /nfs/dbraw/zinc/41/50/43/946415043.db2.gz JLJUWDIMSQGKAQ-ONGXEEELSA-N -1 3 376.396 0.186 20 0 GCADHM O=C([C@@H]1CCCCS1(=O)=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571307155 946417820 /nfs/dbraw/zinc/41/78/20/946417820.db2.gz YNMJYZBSMDGRBW-YPMHNXCESA-N -1 3 391.457 0.242 20 0 GCADHM O=C([C@@H]1CCCCS1(=O)=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571307155 946417829 /nfs/dbraw/zinc/41/78/29/946417829.db2.gz YNMJYZBSMDGRBW-YPMHNXCESA-N -1 3 391.457 0.242 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571307138 946417842 /nfs/dbraw/zinc/41/78/42/946417842.db2.gz XXZZYNMHWXHEJE-DGCLKSJQSA-N -1 3 391.457 0.099 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571307138 946417848 /nfs/dbraw/zinc/41/78/48/946417848.db2.gz XXZZYNMHWXHEJE-DGCLKSJQSA-N -1 3 391.457 0.099 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573505352 946419258 /nfs/dbraw/zinc/41/92/58/946419258.db2.gz MQGNRTZZTCGCMK-LLVKDONJSA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573505352 946419267 /nfs/dbraw/zinc/41/92/67/946419267.db2.gz MQGNRTZZTCGCMK-LLVKDONJSA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ncc(-c2nnn[n-]2)cc1F ZINC001573505447 946421398 /nfs/dbraw/zinc/42/13/98/946421398.db2.gz NUEQHLJMQDJZCP-BETUJISGSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ncc(-c2nn[n-]n2)cc1F ZINC001573505447 946421405 /nfs/dbraw/zinc/42/14/05/946421405.db2.gz NUEQHLJMQDJZCP-BETUJISGSA-N -1 3 388.407 0.107 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573505632 946423620 /nfs/dbraw/zinc/42/36/20/946423620.db2.gz MDMLFAAGWDUKEB-XHDPSFHLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573505632 946423631 /nfs/dbraw/zinc/42/36/31/946423631.db2.gz MDMLFAAGWDUKEB-XHDPSFHLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CCNc2snc(C)c2-c2nnn[n-]2)C1 ZINC001573506050 946428856 /nfs/dbraw/zinc/42/88/56/946428856.db2.gz ORSQWEXCIKCZLO-GFCCVEGCSA-N -1 3 392.489 0.808 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573506070 946429938 /nfs/dbraw/zinc/42/99/38/946429938.db2.gz OVUXXZVLYMMBLW-LLVKDONJSA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573506070 946429943 /nfs/dbraw/zinc/42/99/43/946429943.db2.gz OVUXXZVLYMMBLW-LLVKDONJSA-N -1 3 376.396 0.187 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573506723 946437573 /nfs/dbraw/zinc/43/75/73/946437573.db2.gz SKECMUQQQNHHFD-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573506723 946437580 /nfs/dbraw/zinc/43/75/80/946437580.db2.gz SKECMUQQQNHHFD-SFHVURJKSA-N -1 3 384.444 0.217 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H]2[C@H](CCN2c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573506761 946437830 /nfs/dbraw/zinc/43/78/30/946437830.db2.gz TVUSXQXNOREDJD-NEPJUHHUSA-N -1 3 390.473 0.195 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@](C)(CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573506889 946438632 /nfs/dbraw/zinc/43/86/32/946438632.db2.gz VLTAUZRUNTURTK-INIZCTEOSA-N -1 3 392.851 0.702 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@](C)(CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573506889 946438635 /nfs/dbraw/zinc/43/86/35/946438635.db2.gz VLTAUZRUNTURTK-INIZCTEOSA-N -1 3 392.851 0.702 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@](C)(CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573506890 946439072 /nfs/dbraw/zinc/43/90/72/946439072.db2.gz VLTAUZRUNTURTK-MRXNPFEDSA-N -1 3 392.851 0.702 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@](C)(CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573506890 946439079 /nfs/dbraw/zinc/43/90/79/946439079.db2.gz VLTAUZRUNTURTK-MRXNPFEDSA-N -1 3 392.851 0.702 20 0 GCADHM Cn1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2Br)c(=O)[nH]c1=O ZINC001571309204 946442939 /nfs/dbraw/zinc/44/29/39/946442939.db2.gz XNKZLCIHQUFEMN-UHFFFAOYSA-N -1 3 392.173 0.681 20 0 GCADHM Cn1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2Br)c(=O)[nH]c1=O ZINC001571309204 946442944 /nfs/dbraw/zinc/44/29/44/946442944.db2.gz XNKZLCIHQUFEMN-UHFFFAOYSA-N -1 3 392.173 0.681 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@@H](Nc2snc(C)c2-c2nnn[n-]2)[C@H](C)C1 ZINC001573507112 946443341 /nfs/dbraw/zinc/44/33/41/946443341.db2.gz UZRWCMKXGDROGS-LDYMZIIASA-N -1 3 378.462 0.417 20 0 GCADHM NC(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)cc1 ZINC001571309488 946446516 /nfs/dbraw/zinc/44/65/16/946446516.db2.gz BLASWAFVWMLSAV-AWEZNQCLSA-N -1 3 392.423 0.298 20 0 GCADHM NC(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)cc1 ZINC001571309488 946446522 /nfs/dbraw/zinc/44/65/22/946446522.db2.gz BLASWAFVWMLSAV-AWEZNQCLSA-N -1 3 392.423 0.298 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571309515 946446845 /nfs/dbraw/zinc/44/68/45/946446845.db2.gz CHNJYZGZOJSIHF-UGFHNGPFSA-N -1 3 392.423 0.500 20 0 GCADHM Cn1c(=O)cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571309515 946446850 /nfs/dbraw/zinc/44/68/50/946446850.db2.gz CHNJYZGZOJSIHF-UGFHNGPFSA-N -1 3 392.423 0.500 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CN(C)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573507627 946447922 /nfs/dbraw/zinc/44/79/22/946447922.db2.gz ZXQDYOVMIIBSBD-LLVKDONJSA-N -1 3 392.851 0.336 20 0 GCADHM CC(=O)NCC(=O)N1CC[C@H](CN(C)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573507627 946447928 /nfs/dbraw/zinc/44/79/28/946447928.db2.gz ZXQDYOVMIIBSBD-LLVKDONJSA-N -1 3 392.851 0.336 20 0 GCADHM C[C@@]1(NC(=O)c2ccc(C(N)=O)cc2)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571309600 946448416 /nfs/dbraw/zinc/44/84/16/946448416.db2.gz FIJJSYLSMCSKIL-LJQANCHMSA-N -1 3 392.423 0.759 20 0 GCADHM C[C@@]1(NC(=O)c2ccc(C(N)=O)cc2)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571309600 946448421 /nfs/dbraw/zinc/44/84/21/946448421.db2.gz FIJJSYLSMCSKIL-LJQANCHMSA-N -1 3 392.423 0.759 20 0 GCADHM Cc1cnccc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571309618 946448795 /nfs/dbraw/zinc/44/87/95/946448795.db2.gz FURIGLDMECYQLV-HALDLXJZSA-N -1 3 392.423 0.328 20 0 GCADHM Cc1cnccc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571309618 946448806 /nfs/dbraw/zinc/44/88/06/946448806.db2.gz FURIGLDMECYQLV-HALDLXJZSA-N -1 3 392.423 0.328 20 0 GCADHM NC(=O)c1cccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001571309596 946448941 /nfs/dbraw/zinc/44/89/41/946448941.db2.gz FHORTADHWQMBOH-OAHLLOKOSA-N -1 3 392.423 0.759 20 0 GCADHM NC(=O)c1cccc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001571309596 946448950 /nfs/dbraw/zinc/44/89/50/946448950.db2.gz FHORTADHWQMBOH-OAHLLOKOSA-N -1 3 392.423 0.759 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823567898 946449100 /nfs/dbraw/zinc/44/91/00/946449100.db2.gz XMPFCXMPKHBVRW-OAHLLOKOSA-N -1 3 392.485 0.351 20 0 GCADHM Cc1cc(=O)c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)cn2)c[nH]1 ZINC001571309786 946452518 /nfs/dbraw/zinc/45/25/18/946452518.db2.gz KRBCJHQFOJVUDX-OKILXGFUSA-N -1 3 392.423 0.752 20 0 GCADHM Cc1cc(=O)c(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)cn2)c[nH]1 ZINC001571309786 946452525 /nfs/dbraw/zinc/45/25/25/946452525.db2.gz KRBCJHQFOJVUDX-OKILXGFUSA-N -1 3 392.423 0.752 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823613528 946454028 /nfs/dbraw/zinc/45/40/28/946454028.db2.gz KMCQZKYGHAXDSI-KGLIPLIRSA-N -1 3 397.482 0.597 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000823613528 946454030 /nfs/dbraw/zinc/45/40/30/946454030.db2.gz KMCQZKYGHAXDSI-KGLIPLIRSA-N -1 3 397.482 0.597 20 0 GCADHM NC(=O)c1cccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c1 ZINC001571309822 946455780 /nfs/dbraw/zinc/45/57/80/946455780.db2.gz LVNGVSDPBNUKJK-LBPRGKRZSA-N -1 3 392.423 0.617 20 0 GCADHM NC(=O)c1cccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c1 ZINC001571309822 946455790 /nfs/dbraw/zinc/45/57/90/946455790.db2.gz LVNGVSDPBNUKJK-LBPRGKRZSA-N -1 3 392.423 0.617 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1cccc(C(=O)NC2CC2)c1 ZINC001571309879 946456040 /nfs/dbraw/zinc/45/60/40/946456040.db2.gz NXDOPRDRKDWNCD-UHFFFAOYSA-N -1 3 392.423 0.882 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1cccc(C(=O)NC2CC2)c1 ZINC001571309879 946456046 /nfs/dbraw/zinc/45/60/46/946456046.db2.gz NXDOPRDRKDWNCD-UHFFFAOYSA-N -1 3 392.423 0.882 20 0 GCADHM COc1cccnc1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571310155 946464441 /nfs/dbraw/zinc/46/44/41/946464441.db2.gz WYOLQFSVSMCLLA-ZSOGYDGISA-N -1 3 392.423 0.778 20 0 GCADHM COc1cccnc1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571310155 946464447 /nfs/dbraw/zinc/46/44/47/946464447.db2.gz WYOLQFSVSMCLLA-ZSOGYDGISA-N -1 3 392.423 0.778 20 0 GCADHM O=C(N[C@H]1COC2(CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1)c1cccnn1 ZINC001571310194 946464558 /nfs/dbraw/zinc/46/45/58/946464558.db2.gz XWYISRHADQIFRA-OAHLLOKOSA-N -1 3 392.423 0.430 20 0 GCADHM O=C(N[C@H]1COC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1)c1cccnn1 ZINC001571310194 946464564 /nfs/dbraw/zinc/46/45/64/946464564.db2.gz XWYISRHADQIFRA-OAHLLOKOSA-N -1 3 392.423 0.430 20 0 GCADHM O=C(Cn1ccccc1=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571310241 946466524 /nfs/dbraw/zinc/46/65/24/946466524.db2.gz ZJSLEJNUZOLFCB-GASCZTMLSA-N -1 3 392.423 0.018 20 0 GCADHM O=C(Cn1ccccc1=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571310241 946466530 /nfs/dbraw/zinc/46/65/30/946466530.db2.gz ZJSLEJNUZOLFCB-GASCZTMLSA-N -1 3 392.423 0.018 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573510109 946471880 /nfs/dbraw/zinc/47/18/80/946471880.db2.gz ZQQSKBBJGVZPTL-ZDUSSCGKSA-N -1 3 389.435 0.959 20 0 GCADHM CC(=O)NCC(=O)N1CCCC[C@H]1CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573510109 946471887 /nfs/dbraw/zinc/47/18/87/946471887.db2.gz ZQQSKBBJGVZPTL-ZDUSSCGKSA-N -1 3 389.435 0.959 20 0 GCADHM CC(=O)NCC(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573510103 946472380 /nfs/dbraw/zinc/47/23/80/946472380.db2.gz ZMALHTDYHHZLOA-UHFFFAOYSA-N -1 3 375.408 0.176 20 0 GCADHM CC(=O)NCC(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573510103 946472384 /nfs/dbraw/zinc/47/23/84/946472384.db2.gz ZMALHTDYHHZLOA-UHFFFAOYSA-N -1 3 375.408 0.176 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573510191 946473350 /nfs/dbraw/zinc/47/33/50/946473350.db2.gz BFWMLLIZSWKUNE-CMPLNLGQSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573510191 946473354 /nfs/dbraw/zinc/47/33/54/946473354.db2.gz BFWMLLIZSWKUNE-CMPLNLGQSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573510193 946474806 /nfs/dbraw/zinc/47/48/06/946474806.db2.gz BFWMLLIZSWKUNE-PWSUYJOCSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573510193 946474809 /nfs/dbraw/zinc/47/48/09/946474809.db2.gz BFWMLLIZSWKUNE-PWSUYJOCSA-N -1 3 390.423 0.258 20 0 GCADHM Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@@H]2COC(=O)N2)c1-c1nnn[n-]1 ZINC001571310558 946474884 /nfs/dbraw/zinc/47/48/84/946474884.db2.gz IZLSQZHMDSRSHR-UWVGGRQHSA-N -1 3 392.445 0.533 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC001573510695 946479606 /nfs/dbraw/zinc/47/96/06/946479606.db2.gz JPVWDHCLXFWTNM-HNNXBMFYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC001573510695 946479615 /nfs/dbraw/zinc/47/96/15/946479615.db2.gz JPVWDHCLXFWTNM-HNNXBMFYSA-N -1 3 386.460 0.875 20 0 GCADHM O=C1[C@H](N2CCS(=O)(=O)CCO2)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC001571311153 946482564 /nfs/dbraw/zinc/48/25/64/946482564.db2.gz SEGMGVLCANYIFK-CQSZACIVSA-N -1 3 392.441 0.024 20 0 GCADHM O=C1[C@H](N2CCS(=O)(=O)CCO2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001571311153 946482566 /nfs/dbraw/zinc/48/25/66/946482566.db2.gz SEGMGVLCANYIFK-CQSZACIVSA-N -1 3 392.441 0.024 20 0 GCADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(c2snc(C)c2-c2nnn[n-]2)C1 ZINC001573511398 946484848 /nfs/dbraw/zinc/48/48/48/946484848.db2.gz PEHWPSAVJOXXAL-JOYOIKCWSA-N -1 3 392.489 0.489 20 0 GCADHM Cc1nsc(NCC[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571311503 946488734 /nfs/dbraw/zinc/48/87/34/946488734.db2.gz ZJBHTLGQYHQJTL-UWVGGRQHSA-N -1 3 392.445 0.391 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573511968 946491621 /nfs/dbraw/zinc/49/16/21/946491621.db2.gz CMWIXOKSLHZCKS-JOYOIKCWSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573511968 946491628 /nfs/dbraw/zinc/49/16/28/946491628.db2.gz CMWIXOKSLHZCKS-JOYOIKCWSA-N -1 3 392.851 0.525 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512004 946494148 /nfs/dbraw/zinc/49/41/48/946494148.db2.gz DDKWQSLNAOKLDB-CMPLNLGQSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512004 946494158 /nfs/dbraw/zinc/49/41/58/946494158.db2.gz DDKWQSLNAOKLDB-CMPLNLGQSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512008 946494496 /nfs/dbraw/zinc/49/44/96/946494496.db2.gz DDKWQSLNAOKLDB-PWSUYJOCSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512008 946494504 /nfs/dbraw/zinc/49/45/04/946494504.db2.gz DDKWQSLNAOKLDB-PWSUYJOCSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1N(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC001573512458 946497964 /nfs/dbraw/zinc/49/79/64/946497964.db2.gz GFVLXCUNBGAKEQ-KBXCAEBGSA-N -1 3 387.419 0.760 20 0 GCADHM CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1N(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC001573512458 946497973 /nfs/dbraw/zinc/49/79/73/946497973.db2.gz GFVLXCUNBGAKEQ-KBXCAEBGSA-N -1 3 387.419 0.760 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573512570 946500216 /nfs/dbraw/zinc/50/02/16/946500216.db2.gz YIGZPPNOEFPISX-DGCLKSJQSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573512570 946500227 /nfs/dbraw/zinc/50/02/27/946500227.db2.gz YIGZPPNOEFPISX-DGCLKSJQSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)N[C@](C)(CNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573512717 946504018 /nfs/dbraw/zinc/50/40/18/946504018.db2.gz ZZYSDDHKNLZKMO-MRXNPFEDSA-N -1 3 392.851 0.748 20 0 GCADHM CC(=O)NCC(=O)N[C@](C)(CNc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573512717 946504025 /nfs/dbraw/zinc/50/40/25/946504025.db2.gz ZZYSDDHKNLZKMO-MRXNPFEDSA-N -1 3 392.851 0.748 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cccc(F)c1-c1nnn[n-]1)C2 ZINC001573512877 946505420 /nfs/dbraw/zinc/50/54/20/946505420.db2.gz JDNDBFFALOAJMA-AVGNSLFASA-N -1 3 387.419 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1cccc(F)c1-c1nn[n-]n1)C2 ZINC001573512877 946505426 /nfs/dbraw/zinc/50/54/26/946505426.db2.gz JDNDBFFALOAJMA-AVGNSLFASA-N -1 3 387.419 0.615 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573512960 946506077 /nfs/dbraw/zinc/50/60/77/946506077.db2.gz JNJQVCMCCPCELN-UHFFFAOYSA-N -1 3 376.396 0.378 20 0 GCADHM CC(=O)NCC(=O)NC1(CNc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573512960 946506084 /nfs/dbraw/zinc/50/60/84/946506084.db2.gz JNJQVCMCCPCELN-UHFFFAOYSA-N -1 3 376.396 0.378 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCC[C@H]1CNc1snc(C)c1-c1nnn[n-]1 ZINC001573513363 946510677 /nfs/dbraw/zinc/51/06/77/946510677.db2.gz MVCJLGSHUXHCNK-WDEREUQCSA-N -1 3 378.462 0.465 20 0 GCADHM CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1N(c1ncc(-c3nnn[n-]3)cc1F)CC2 ZINC001573513279 946511186 /nfs/dbraw/zinc/51/11/86/946511186.db2.gz MCWGAXNOMCPAIW-SUMWQHHRSA-N -1 3 388.407 0.155 20 0 GCADHM CC(=O)NCC(=O)N[C@@]12CCC[C@@H]1N(c1ncc(-c3nn[n-]n3)cc1F)CC2 ZINC001573513279 946511197 /nfs/dbraw/zinc/51/11/97/946511197.db2.gz MCWGAXNOMCPAIW-SUMWQHHRSA-N -1 3 388.407 0.155 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573513776 946514682 /nfs/dbraw/zinc/51/46/82/946514682.db2.gz QDXRQARMMITTMG-NWDGAFQWSA-N -1 3 376.396 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573513776 946514690 /nfs/dbraw/zinc/51/46/90/946514690.db2.gz QDXRQARMMITTMG-NWDGAFQWSA-N -1 3 376.396 0.376 20 0 GCADHM CC(=O)NCC(=O)N[C@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC[C@@H]1C ZINC001573514172 946520859 /nfs/dbraw/zinc/52/08/59/946520859.db2.gz UEEYLQUECOHARB-SGTLLEGYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@]1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC[C@@H]1C ZINC001573514172 946520867 /nfs/dbraw/zinc/52/08/67/946520867.db2.gz UEEYLQUECOHARB-SGTLLEGYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(=O)NCC(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573514221 946523207 /nfs/dbraw/zinc/52/32/07/946523207.db2.gz VOMFYGYIQIVRGN-HNNXBMFYSA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573514221 946523222 /nfs/dbraw/zinc/52/32/22/946523222.db2.gz VOMFYGYIQIVRGN-HNNXBMFYSA-N -1 3 378.824 0.136 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H](Nc2nc(C)ccc2-c2nnn[n-]2)C12CCC2 ZINC001573514502 946527514 /nfs/dbraw/zinc/52/75/14/946527514.db2.gz YXOVMKJPSYLDAY-KGLIPLIRSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1C[C@H](Nc2nc(C)ccc2-c2nn[n-]n2)C12CCC2 ZINC001573514502 946527521 /nfs/dbraw/zinc/52/75/21/946527521.db2.gz YXOVMKJPSYLDAY-KGLIPLIRSA-N -1 3 384.444 0.546 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573514582 946530868 /nfs/dbraw/zinc/53/08/68/946530868.db2.gz APUCETNXZCXZGA-CYBMUJFWSA-N -1 3 375.408 0.473 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001573514582 946530874 /nfs/dbraw/zinc/53/08/74/946530874.db2.gz APUCETNXZCXZGA-CYBMUJFWSA-N -1 3 375.408 0.473 20 0 GCADHM CC(=O)NC[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000823994749 946534542 /nfs/dbraw/zinc/53/45/42/946534542.db2.gz OSCYOOKFLNNPMG-QGZVFWFLSA-N -1 3 396.455 0.604 20 0 GCADHM CC(=O)NC[C@@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000823994749 946534548 /nfs/dbraw/zinc/53/45/48/946534548.db2.gz OSCYOOKFLNNPMG-QGZVFWFLSA-N -1 3 396.455 0.604 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823994845 946535420 /nfs/dbraw/zinc/53/54/20/946535420.db2.gz PSXKSXPBUQWLTJ-HNNXBMFYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823994845 946535431 /nfs/dbraw/zinc/53/54/31/946535431.db2.gz PSXKSXPBUQWLTJ-HNNXBMFYSA-N -1 3 386.460 0.461 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001571313925 946537803 /nfs/dbraw/zinc/53/78/03/946537803.db2.gz XOGFFWCPHASAPQ-LSDHHAIUSA-N -1 3 392.423 0.678 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001571313925 946537814 /nfs/dbraw/zinc/53/78/14/946537814.db2.gz XOGFFWCPHASAPQ-LSDHHAIUSA-N -1 3 392.423 0.678 20 0 GCADHM CC(=O)NC[C@H]1CN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000823994927 946539439 /nfs/dbraw/zinc/53/94/39/946539439.db2.gz SWQRBDWHTAVOJQ-DLBZAZTESA-N -1 3 399.455 0.199 20 0 GCADHM CC(=O)NC[C@H]1CN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000823994927 946539444 /nfs/dbraw/zinc/53/94/44/946539444.db2.gz SWQRBDWHTAVOJQ-DLBZAZTESA-N -1 3 399.455 0.199 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001573515617 946545816 /nfs/dbraw/zinc/54/58/16/946545816.db2.gz NNYRCROBRPYFCM-ZWNOBZJWSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001573515617 946545827 /nfs/dbraw/zinc/54/58/27/946545827.db2.gz NNYRCROBRPYFCM-ZWNOBZJWSA-N -1 3 375.408 0.615 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC001573515469 946546025 /nfs/dbraw/zinc/54/60/25/946546025.db2.gz MVGOWFVRKDPFCZ-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC001573515469 946546035 /nfs/dbraw/zinc/54/60/35/946546035.db2.gz MVGOWFVRKDPFCZ-CYBMUJFWSA-N -1 3 386.460 0.509 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573515740 946551890 /nfs/dbraw/zinc/55/18/90/946551890.db2.gz QEKBVJYZTFFMPU-AWEZNQCLSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001573515740 946551899 /nfs/dbraw/zinc/55/18/99/946551899.db2.gz QEKBVJYZTFFMPU-AWEZNQCLSA-N -1 3 389.435 0.863 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1(C)C ZINC001573516447 946562925 /nfs/dbraw/zinc/56/29/25/946562925.db2.gz ZRSVTCSWVGGFSD-ZDUSSCGKSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1(C)C ZINC001573516447 946562930 /nfs/dbraw/zinc/56/29/30/946562930.db2.gz ZRSVTCSWVGGFSD-ZDUSSCGKSA-N -1 3 390.423 0.258 20 0 GCADHM CC(=O)NCC(=O)NC[C@H]1CCCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573517307 946569105 /nfs/dbraw/zinc/56/91/05/946569105.db2.gz GOLFBAPOKSMIHW-CQSZACIVSA-N -1 3 389.435 0.613 20 0 GCADHM O=C([C@H]1CCc2cncn2C1)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571316560 946582654 /nfs/dbraw/zinc/58/26/54/946582654.db2.gz GIIBDFZOWGKSKQ-INIZCTEOSA-N -1 3 392.467 0.970 20 0 GCADHM CC(C)(C)NC(=O)NC(=O)CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824093393 946585407 /nfs/dbraw/zinc/58/54/07/946585407.db2.gz GUXLACYLIYNMOH-CQSZACIVSA-N -1 3 387.444 0.864 20 0 GCADHM CC(C)(C)NC(=O)NC(=O)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824093393 946585420 /nfs/dbraw/zinc/58/54/20/946585420.db2.gz GUXLACYLIYNMOH-CQSZACIVSA-N -1 3 387.444 0.864 20 0 GCADHM CC(=O)NCC(=O)NCc1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001573520286 946595102 /nfs/dbraw/zinc/59/51/02/946595102.db2.gz HDOIYHMPAZNZLG-UHFFFAOYSA-N -1 3 380.412 0.626 20 0 GCADHM CC(=O)NCC(=O)NCc1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC001573520286 946595112 /nfs/dbraw/zinc/59/51/12/946595112.db2.gz HDOIYHMPAZNZLG-UHFFFAOYSA-N -1 3 380.412 0.626 20 0 GCADHM CNC(=O)N[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001571317277 946603802 /nfs/dbraw/zinc/60/38/02/946603802.db2.gz AKCCNBBUUGYZTG-MWLCHTKSSA-N -1 3 392.851 0.850 20 0 GCADHM CNC(=O)N[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001571317277 946603812 /nfs/dbraw/zinc/60/38/12/946603812.db2.gz AKCCNBBUUGYZTG-MWLCHTKSSA-N -1 3 392.851 0.850 20 0 GCADHM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573521458 946606025 /nfs/dbraw/zinc/60/60/25/946606025.db2.gz WVDPJOOJHRWZBT-CRAIPNDOSA-N -1 3 384.444 0.263 20 0 GCADHM CC(=O)NCC(=O)NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573521458 946606029 /nfs/dbraw/zinc/60/60/29/946606029.db2.gz WVDPJOOJHRWZBT-CRAIPNDOSA-N -1 3 384.444 0.263 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)[C@@H]1CCCOCC1 ZINC001571317300 946607406 /nfs/dbraw/zinc/60/74/06/946607406.db2.gz BPDGMWAXXZSBOS-MRVWCRGKSA-N -1 3 392.485 0.406 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)[C@@H]1CCCOCC1 ZINC001571317300 946607413 /nfs/dbraw/zinc/60/74/13/946607413.db2.gz BPDGMWAXXZSBOS-MRVWCRGKSA-N -1 3 392.485 0.406 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573521759 946610312 /nfs/dbraw/zinc/61/03/12/946610312.db2.gz FLEMVSUYQIVULS-SJLPKXTDSA-N -1 3 392.423 0.592 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573521759 946610325 /nfs/dbraw/zinc/61/03/25/946610325.db2.gz FLEMVSUYQIVULS-SJLPKXTDSA-N -1 3 392.423 0.592 20 0 GCADHM CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001571317564 946614608 /nfs/dbraw/zinc/61/46/08/946614608.db2.gz MSUSPROEMFGZBI-CVEARBPZSA-N -1 3 392.485 0.886 20 0 GCADHM CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001571317564 946614611 /nfs/dbraw/zinc/61/46/11/946614611.db2.gz MSUSPROEMFGZBI-CVEARBPZSA-N -1 3 392.485 0.886 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573521861 946615573 /nfs/dbraw/zinc/61/55/73/946615573.db2.gz LUQVGBGKAVGWEL-HAQNSBGRSA-N -1 3 375.408 0.981 20 0 GCADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573521861 946615580 /nfs/dbraw/zinc/61/55/80/946615580.db2.gz LUQVGBGKAVGWEL-HAQNSBGRSA-N -1 3 375.408 0.981 20 0 GCADHM Cc1nsc(N2CC[C@@H](N(C)C(=O)CN3CCOCC3)C2)c1-c1nnn[n-]1 ZINC001571317656 946616641 /nfs/dbraw/zinc/61/66/41/946616641.db2.gz PXTIIVDKSBAKOJ-GFCCVEGCSA-N -1 3 392.489 0.001 20 0 GCADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1Nc1snc(C)c1-c1nnn[n-]1 ZINC001573522018 946620530 /nfs/dbraw/zinc/62/05/30/946620530.db2.gz VLXQYCJOQOMSTH-GHMZBOCLSA-N -1 3 378.462 0.607 20 0 GCADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@H]1CCCCO1 ZINC001571317789 946621271 /nfs/dbraw/zinc/62/12/71/946621271.db2.gz VXOLUBSUJIXUHM-GXTWGEPZSA-N -1 3 392.485 0.814 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573522202 946622835 /nfs/dbraw/zinc/62/28/35/946622835.db2.gz CBMBZJQTASCLFM-NSHDSACASA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573522202 946622840 /nfs/dbraw/zinc/62/28/40/946622840.db2.gz CBMBZJQTASCLFM-NSHDSACASA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573522135 946622851 /nfs/dbraw/zinc/62/28/51/946622851.db2.gz BGVCRDFGYYSVIE-ABAIWWIYSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573522135 946622857 /nfs/dbraw/zinc/62/28/57/946622857.db2.gz BGVCRDFGYYSVIE-ABAIWWIYSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)[C@@H](C)C1 ZINC001573522139 946623399 /nfs/dbraw/zinc/62/33/99/946623399.db2.gz BGVCRDFGYYSVIE-NHYWBVRUSA-N -1 3 386.460 0.683 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)[C@@H](C)C1 ZINC001573522139 946623404 /nfs/dbraw/zinc/62/34/04/946623404.db2.gz BGVCRDFGYYSVIE-NHYWBVRUSA-N -1 3 386.460 0.683 20 0 GCADHM O=C(NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCCOC1 ZINC001571317948 946624587 /nfs/dbraw/zinc/62/45/87/946624587.db2.gz ZTUSNWMUKZZNEI-STQMWFEESA-N -1 3 392.485 0.672 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573522773 946630204 /nfs/dbraw/zinc/63/02/04/946630204.db2.gz KIPKRMBRZQNOSF-UHFFFAOYSA-N -1 3 378.412 0.433 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573522773 946630217 /nfs/dbraw/zinc/63/02/17/946630217.db2.gz KIPKRMBRZQNOSF-UHFFFAOYSA-N -1 3 378.412 0.433 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573522951 946632384 /nfs/dbraw/zinc/63/23/84/946632384.db2.gz NHJQJXZWTLFGFS-UHFFFAOYSA-N -1 3 391.501 0.733 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573523117 946634490 /nfs/dbraw/zinc/63/44/90/946634490.db2.gz OPIZMQLNZILQDW-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573523117 946634496 /nfs/dbraw/zinc/63/44/96/946634496.db2.gz OPIZMQLNZILQDW-UHFFFAOYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573523621 946636411 /nfs/dbraw/zinc/63/64/11/946636411.db2.gz SWEVOTCFGZIZIS-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573523621 946636418 /nfs/dbraw/zinc/63/64/18/946636418.db2.gz SWEVOTCFGZIZIS-CYBMUJFWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573523630 946637138 /nfs/dbraw/zinc/63/71/38/946637138.db2.gz SZPLFOYNGPZZLD-CYBMUJFWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573523630 946637146 /nfs/dbraw/zinc/63/71/46/946637146.db2.gz SZPLFOYNGPZZLD-CYBMUJFWSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573527527 946642915 /nfs/dbraw/zinc/64/29/15/946642915.db2.gz BNZGHXXFAVPQEY-JOCQHMNTSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573527527 946642919 /nfs/dbraw/zinc/64/29/19/946642919.db2.gz BNZGHXXFAVPQEY-JOCQHMNTSA-N -1 3 386.460 0.792 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573527743 946645343 /nfs/dbraw/zinc/64/53/43/946645343.db2.gz GMMGQQDKROSDDQ-UHFFFAOYSA-N -1 3 377.424 0.721 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573527743 946645349 /nfs/dbraw/zinc/64/53/49/946645349.db2.gz GMMGQQDKROSDDQ-UHFFFAOYSA-N -1 3 377.424 0.721 20 0 GCADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573527713 946645882 /nfs/dbraw/zinc/64/58/82/946645882.db2.gz FOTUCXCNUANMAN-UHFFFAOYSA-N -1 3 391.451 0.716 20 0 GCADHM CC(C)Oc1ccc(NC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nnn[n-]1 ZINC000824324104 946658722 /nfs/dbraw/zinc/65/87/22/946658722.db2.gz GQFHXWLNNFNAPI-ZUZCIYMTSA-N -1 3 388.428 0.868 20 0 GCADHM CC(C)Oc1ccc(NC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nn[n-]n1 ZINC000824324104 946658725 /nfs/dbraw/zinc/65/87/25/946658725.db2.gz GQFHXWLNNFNAPI-ZUZCIYMTSA-N -1 3 388.428 0.868 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@H]1C(F)(F)F ZINC001573529083 946669386 /nfs/dbraw/zinc/66/93/86/946669386.db2.gz JKRRGNVLMVDCNA-GHMZBOCLSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@H]1C(F)(F)F ZINC001573529083 946669393 /nfs/dbraw/zinc/66/93/93/946669393.db2.gz JKRRGNVLMVDCNA-GHMZBOCLSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1C(F)(F)F ZINC001573529542 946676555 /nfs/dbraw/zinc/67/65/55/946676555.db2.gz NQUPQFIPNKOCCJ-MNOVXSKESA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C(F)(F)F ZINC001573529542 946676561 /nfs/dbraw/zinc/67/65/61/946676561.db2.gz NQUPQFIPNKOCCJ-MNOVXSKESA-N -1 3 385.350 0.972 20 0 GCADHM C[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824440250 946708811 /nfs/dbraw/zinc/70/88/11/946708811.db2.gz BMXKBHKLFPWDIR-MRVPVSSYSA-N -1 3 390.791 0.141 20 0 GCADHM C[C@@H](C[S@](C)=O)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824449015 946710917 /nfs/dbraw/zinc/71/09/17/946710917.db2.gz MHGLGIAONZPZQX-RNUGCUGFSA-N -1 3 392.489 0.297 20 0 GCADHM C[C@@H](C[S@](C)=O)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824449015 946710928 /nfs/dbraw/zinc/71/09/28/946710928.db2.gz MHGLGIAONZPZQX-RNUGCUGFSA-N -1 3 392.489 0.297 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573535388 946723090 /nfs/dbraw/zinc/72/30/90/946723090.db2.gz DSMBSAMNBQGXSY-DZGCQCFKSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573535388 946723099 /nfs/dbraw/zinc/72/30/99/946723099.db2.gz DSMBSAMNBQGXSY-DZGCQCFKSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1)C(C)C ZINC001573535708 946724075 /nfs/dbraw/zinc/72/40/75/946724075.db2.gz GXEPKNIIAGHKQY-XJKCOSOUSA-N -1 3 386.460 0.790 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1)C(C)C ZINC001573535708 946724084 /nfs/dbraw/zinc/72/40/84/946724084.db2.gz GXEPKNIIAGHKQY-XJKCOSOUSA-N -1 3 386.460 0.790 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)C ZINC001573535966 946727610 /nfs/dbraw/zinc/72/76/10/946727610.db2.gz LXOZFRRQPAEHAN-UKRRQHHQSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)C ZINC001573535966 946727623 /nfs/dbraw/zinc/72/76/23/946727623.db2.gz LXOZFRRQPAEHAN-UKRRQHHQSA-N -1 3 386.460 0.365 20 0 GCADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)Nc1snc(C)c1-c1nnn[n-]1)C(C)C ZINC001573536116 946730201 /nfs/dbraw/zinc/73/02/01/946730201.db2.gz PJWPOYRQHAEMMB-PRHODGIISA-N -1 3 380.478 0.709 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCC1)C(C)C ZINC001573536364 946735712 /nfs/dbraw/zinc/73/57/12/946735712.db2.gz ULSMEWWFLQEQFP-CQSZACIVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCC1)C(C)C ZINC001573536364 946735717 /nfs/dbraw/zinc/73/57/17/946735717.db2.gz ULSMEWWFLQEQFP-CQSZACIVSA-N -1 3 386.460 0.873 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](Nc2snc(C)c2-c2nnn[n-]2)C1)C(C)C ZINC001573536646 946737680 /nfs/dbraw/zinc/73/76/80/946737680.db2.gz ZWXTXGOBNQMIOM-NTZNESFSSA-N -1 3 392.489 0.851 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)C(C)C ZINC001573536736 946740845 /nfs/dbraw/zinc/74/08/45/946740845.db2.gz BGIGCKJTOVWBMG-LSDHHAIUSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)C(C)C ZINC001573536736 946740856 /nfs/dbraw/zinc/74/08/56/946740856.db2.gz BGIGCKJTOVWBMG-LSDHHAIUSA-N -1 3 386.460 0.729 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1)C(C)C ZINC001573537086 946742501 /nfs/dbraw/zinc/74/25/01/946742501.db2.gz GUCKOBHKEUITGQ-OAHLLOKOSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1)C(C)C ZINC001573537086 946742505 /nfs/dbraw/zinc/74/25/05/946742505.db2.gz GUCKOBHKEUITGQ-OAHLLOKOSA-N -1 3 386.460 0.379 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573537356 946744901 /nfs/dbraw/zinc/74/49/01/946744901.db2.gz KVFPGGWJDUJYPM-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573537356 946744909 /nfs/dbraw/zinc/74/49/09/946744909.db2.gz KVFPGGWJDUJYPM-UKRRQHHQSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1)C(C)C ZINC001573537119 946745597 /nfs/dbraw/zinc/74/55/97/946745597.db2.gz HVCPBGBQCYFWBE-MRXNPFEDSA-N -1 3 389.435 0.815 20 0 GCADHM CC(=O)N[C@@H](C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)C(C)C ZINC001573537119 946745607 /nfs/dbraw/zinc/74/56/07/946745607.db2.gz HVCPBGBQCYFWBE-MRXNPFEDSA-N -1 3 389.435 0.815 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573537473 946748986 /nfs/dbraw/zinc/74/89/86/946748986.db2.gz CIQZBRJHMVDWLS-ZNMIVQPWSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573537473 946748990 /nfs/dbraw/zinc/74/89/90/946748990.db2.gz CIQZBRJHMVDWLS-ZNMIVQPWSA-N -1 3 386.460 0.872 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCCNc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573538072 946762696 /nfs/dbraw/zinc/76/26/96/946762696.db2.gz VWCQJAHQYOOANF-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@H](C(=O)N(C)CCCNc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573538072 946762703 /nfs/dbraw/zinc/76/27/03/946762703.db2.gz VWCQJAHQYOOANF-OAHLLOKOSA-N -1 3 388.476 0.991 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573538564 946772028 /nfs/dbraw/zinc/77/20/28/946772028.db2.gz XSQCOPNJGUCJPH-HNNXBMFYSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573538564 946772038 /nfs/dbraw/zinc/77/20/38/946772038.db2.gz XSQCOPNJGUCJPH-HNNXBMFYSA-N -1 3 388.476 0.673 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)C(C)(C)C ZINC001573540596 946779306 /nfs/dbraw/zinc/77/93/06/946779306.db2.gz HFHJUNXIJFAUEZ-TVQRCGJNSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC001573540596 946779312 /nfs/dbraw/zinc/77/93/12/946779312.db2.gz HFHJUNXIJFAUEZ-TVQRCGJNSA-N -1 3 392.439 0.868 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)C(C)(C)C ZINC001573541049 946783001 /nfs/dbraw/zinc/78/30/01/946783001.db2.gz NCOSSGMRJJUWIO-DZGCQCFKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)C(C)(C)C ZINC001573541049 946783009 /nfs/dbraw/zinc/78/30/09/946783009.db2.gz NCOSSGMRJJUWIO-DZGCQCFKSA-N -1 3 386.460 0.825 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)C(C)(C)C ZINC001573541193 946783642 /nfs/dbraw/zinc/78/36/42/946783642.db2.gz OFYBRMKNWRJEKM-TZMCWYRMSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)C(C)(C)C ZINC001573541193 946783652 /nfs/dbraw/zinc/78/36/52/946783652.db2.gz OFYBRMKNWRJEKM-TZMCWYRMSA-N -1 3 386.460 0.507 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573541575 946787438 /nfs/dbraw/zinc/78/74/38/946787438.db2.gz RTCWWADYZXJWNT-SWLSCSKDSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573541575 946787443 /nfs/dbraw/zinc/78/74/43/946787443.db2.gz RTCWWADYZXJWNT-SWLSCSKDSA-N -1 3 388.476 0.753 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573541913 946790202 /nfs/dbraw/zinc/79/02/02/946790202.db2.gz YBCWXGCSUGOFKM-MLGOLLRUSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573541913 946790206 /nfs/dbraw/zinc/79/02/06/946790206.db2.gz YBCWXGCSUGOFKM-MLGOLLRUSA-N -1 3 388.476 0.977 20 0 GCADHM CC(=O)Nc1c[nH]c(C)c1C(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573542270 946795357 /nfs/dbraw/zinc/79/53/57/946795357.db2.gz FFDKBTLOKGENDM-UHFFFAOYSA-N -1 3 383.416 0.723 20 0 GCADHM CC(=O)Nc1c[nH]c(C)c1C(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573542270 946795363 /nfs/dbraw/zinc/79/53/63/946795363.db2.gz FFDKBTLOKGENDM-UHFFFAOYSA-N -1 3 383.416 0.723 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)cn2)nc1 ZINC001573546986 946823069 /nfs/dbraw/zinc/82/30/69/946823069.db2.gz DPUMPCMWNLUAGY-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)cn2)nc1 ZINC001573546986 946823074 /nfs/dbraw/zinc/82/30/74/946823074.db2.gz DPUMPCMWNLUAGY-UHFFFAOYSA-N -1 3 381.400 0.481 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC2CN(Cc3ccccc3-c3nnn[n-]3)C2)nc1 ZINC001573547284 946833167 /nfs/dbraw/zinc/83/31/67/946833167.db2.gz IGTAZUMGUYSRAF-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM CC(=O)Nc1ccc(C(=O)NC2CN(Cc3ccccc3-c3nn[n-]n3)C2)nc1 ZINC001573547284 946833178 /nfs/dbraw/zinc/83/31/78/946833178.db2.gz IGTAZUMGUYSRAF-UHFFFAOYSA-N -1 3 392.423 0.834 20 0 GCADHM CC(=O)Nc1nc(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)nc2)cs1 ZINC001573548537 946851949 /nfs/dbraw/zinc/85/19/49/946851949.db2.gz NLOSCXNHAFCQIC-UHFFFAOYSA-N -1 3 387.429 0.543 20 0 GCADHM CC(=O)Nc1nc(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)nc2)cs1 ZINC001573548537 946851959 /nfs/dbraw/zinc/85/19/59/946851959.db2.gz NLOSCXNHAFCQIC-UHFFFAOYSA-N -1 3 387.429 0.543 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573548457 946852168 /nfs/dbraw/zinc/85/21/68/946852168.db2.gz LIJQDMLHDUACIY-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573548457 946852186 /nfs/dbraw/zinc/85/21/86/946852186.db2.gz LIJQDMLHDUACIY-UHFFFAOYSA-N -1 3 381.400 0.799 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@H](C)CNc2ccc(-c3nnn[n-]3)nc2)cs1 ZINC001573548501 946853958 /nfs/dbraw/zinc/85/39/58/946853958.db2.gz LZNGPGFIFUUIFD-MRVPVSSYSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)N[C@H](C)CNc2ccc(-c3nn[n-]n3)nc2)cs1 ZINC001573548501 946853966 /nfs/dbraw/zinc/85/39/66/946853966.db2.gz LZNGPGFIFUUIFD-MRVPVSSYSA-N -1 3 387.429 0.907 20 0 GCADHM CC(=O)Nc1nc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCOC3)cs1 ZINC001573548766 946859100 /nfs/dbraw/zinc/85/91/00/946859100.db2.gz UFKBSELMJLTFID-UHFFFAOYSA-N -1 3 375.374 0.261 20 0 GCADHM CC(=O)Nc1nc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCOC3)cs1 ZINC001573548766 946859117 /nfs/dbraw/zinc/85/91/17/946859117.db2.gz UFKBSELMJLTFID-UHFFFAOYSA-N -1 3 375.374 0.261 20 0 GCADHM CC(=O)Nc1nc(CN[C@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cs1 ZINC001573548784 946859811 /nfs/dbraw/zinc/85/98/11/946859811.db2.gz VIDFJJWNTYVHFU-MRVPVSSYSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(CN[C@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cs1 ZINC001573548784 946859824 /nfs/dbraw/zinc/85/98/24/946859824.db2.gz VIDFJJWNTYVHFU-MRVPVSSYSA-N -1 3 389.445 0.518 20 0 GCADHM CC(=O)Nc1nc(C(=O)NCCCNc2ccc(-c3nnn[n-]3)cn2)cs1 ZINC001573548989 946861964 /nfs/dbraw/zinc/86/19/64/946861964.db2.gz ZZXLWDRPCNEIKD-UHFFFAOYSA-N -1 3 387.429 0.909 20 0 GCADHM CC(=O)Nc1nc(C(=O)NCCCNc2ccc(-c3nn[n-]n3)cn2)cs1 ZINC001573548989 946861980 /nfs/dbraw/zinc/86/19/80/946861980.db2.gz ZZXLWDRPCNEIKD-UHFFFAOYSA-N -1 3 387.429 0.909 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573548927 946863418 /nfs/dbraw/zinc/86/34/18/946863418.db2.gz XFLDSWXVJIJTCR-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM CC(=O)Nc1cccnc1C(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573548927 946863433 /nfs/dbraw/zinc/86/34/33/946863433.db2.gz XFLDSWXVJIJTCR-JTQLQIEISA-N -1 3 381.400 0.846 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCCCCO ZINC000824632775 946874215 /nfs/dbraw/zinc/87/42/15/946874215.db2.gz DPOOVOFVRKBCOL-LBPRGKRZSA-N -1 3 397.457 0.629 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCCCCO ZINC000824632775 946874232 /nfs/dbraw/zinc/87/42/32/946874232.db2.gz DPOOVOFVRKBCOL-LBPRGKRZSA-N -1 3 397.457 0.629 20 0 GCADHM C[C@H](OC(=O)CN1CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824714987 946909376 /nfs/dbraw/zinc/90/93/76/946909376.db2.gz PTOFCDDVKSTGQI-JTQLQIEISA-N -1 3 394.819 0.723 20 0 GCADHM C[C@H](OC(=O)CN1CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824714987 946909385 /nfs/dbraw/zinc/90/93/85/946909385.db2.gz PTOFCDDVKSTGQI-JTQLQIEISA-N -1 3 394.819 0.723 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)C2)nn1 ZINC001573558217 946936225 /nfs/dbraw/zinc/93/62/25/946936225.db2.gz GAGUWBRTHPYSLQ-UHFFFAOYSA-N -1 3 392.376 0.046 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3C)C2)nn1 ZINC001573558284 946938182 /nfs/dbraw/zinc/93/81/82/946938182.db2.gz IMVKOPCPFRLUME-UHFFFAOYSA-N -1 3 388.413 0.215 20 0 GCADHM CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3C)C2)nn1 ZINC001573558284 946938186 /nfs/dbraw/zinc/93/81/86/946938186.db2.gz IMVKOPCPFRLUME-UHFFFAOYSA-N -1 3 388.413 0.215 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)O1 ZINC000824816275 946938927 /nfs/dbraw/zinc/93/89/27/946938927.db2.gz ACVYNYVSARRJNK-ZDUSSCGKSA-N -1 3 387.444 0.850 20 0 GCADHM CC1(C)OC[C@H](CNC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)O1 ZINC000824816275 946938937 /nfs/dbraw/zinc/93/89/37/946938937.db2.gz ACVYNYVSARRJNK-ZDUSSCGKSA-N -1 3 387.444 0.850 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000824807938 946939397 /nfs/dbraw/zinc/93/93/97/946939397.db2.gz NNDLSXVNNCCBCH-UHFFFAOYSA-N -1 3 384.444 0.533 20 0 GCADHM CC1(C)CN(C(=O)C2CC2)CCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000824807938 946939402 /nfs/dbraw/zinc/93/94/02/946939402.db2.gz NNDLSXVNNCCBCH-UHFFFAOYSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H]1CN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCS1(=O)=O ZINC000824985202 947026441 /nfs/dbraw/zinc/02/64/41/947026441.db2.gz SYNVGNNAYGLMHC-DOMZBBRYSA-N -1 3 390.469 0.481 20 0 GCADHM C[C@@H]1CN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCS1(=O)=O ZINC000824985202 947026447 /nfs/dbraw/zinc/02/64/47/947026447.db2.gz SYNVGNNAYGLMHC-DOMZBBRYSA-N -1 3 390.469 0.481 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC000825035280 947052579 /nfs/dbraw/zinc/05/25/79/947052579.db2.gz ZHQZYXXEMBLZTF-JKSUJKDBSA-N -1 3 399.455 0.961 20 0 GCADHM CCC(=O)N1CC[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC000825035280 947052587 /nfs/dbraw/zinc/05/25/87/947052587.db2.gz ZHQZYXXEMBLZTF-JKSUJKDBSA-N -1 3 399.455 0.961 20 0 GCADHM CCC(CC)[C@H](CNC(=O)Cc1noc(C)c1-c1nnn[n-]1)N1CCOCC1 ZINC000825097000 947077891 /nfs/dbraw/zinc/07/78/91/947077891.db2.gz RXJZNWYPFOKRGW-HNNXBMFYSA-N -1 3 391.476 0.959 20 0 GCADHM CCC(CC)[C@H](CNC(=O)Cc1noc(C)c1-c1nn[n-]n1)N1CCOCC1 ZINC000825097000 947077899 /nfs/dbraw/zinc/07/78/99/947077899.db2.gz RXJZNWYPFOKRGW-HNNXBMFYSA-N -1 3 391.476 0.959 20 0 GCADHM CC[C@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@@H]1O ZINC000825209815 947120666 /nfs/dbraw/zinc/12/06/66/947120666.db2.gz CSEMZCVIOXQLEA-WFASDCNBSA-N -1 3 382.428 0.694 20 0 GCADHM CC[C@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@@H]1O ZINC000825209815 947120673 /nfs/dbraw/zinc/12/06/73/947120673.db2.gz CSEMZCVIOXQLEA-WFASDCNBSA-N -1 3 382.428 0.694 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825424631 947185870 /nfs/dbraw/zinc/18/58/70/947185870.db2.gz LZHINRMFKKHGPF-HNNXBMFYSA-N -1 3 392.485 0.729 20 0 GCADHM CCN(CCS(C)(=O)=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825424631 947185874 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377.401 0.310 20 0 GCADHM CCOC(=O)[C@@H](CO)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825494312 947205711 /nfs/dbraw/zinc/20/57/11/947205711.db2.gz VWOQDFVPSIOSKX-TZMCWYRMSA-N -1 3 377.401 0.310 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825494092 947206608 /nfs/dbraw/zinc/20/66/08/947206608.db2.gz SFGJYJSKODGYRO-AWEZNQCLSA-N -1 3 385.384 0.015 20 0 GCADHM CCOC(=O)[C@H](CO)NC(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825494092 947206618 /nfs/dbraw/zinc/20/66/18/947206618.db2.gz SFGJYJSKODGYRO-AWEZNQCLSA-N -1 3 385.384 0.015 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H](C)c1cccnc1 ZINC001573585407 947254261 /nfs/dbraw/zinc/25/42/61/947254261.db2.gz FPHHQVWOHOXIAL-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H](C)c1cccnc1 ZINC001573585407 947254269 /nfs/dbraw/zinc/25/42/69/947254269.db2.gz FPHHQVWOHOXIAL-RYUDHWBXSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573585864 947271873 /nfs/dbraw/zinc/27/18/73/947271873.db2.gz IZSXHVPVWIJCIN-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC001573585864 947271886 /nfs/dbraw/zinc/27/18/86/947271886.db2.gz IZSXHVPVWIJCIN-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H](C)c1ccnn1C ZINC001573586524 947289113 /nfs/dbraw/zinc/28/91/13/947289113.db2.gz PZICMNIXUYUCNE-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H](C)c1ccnn1C ZINC001573586524 947289126 /nfs/dbraw/zinc/28/91/26/947289126.db2.gz PZICMNIXUYUCNE-QWRGUYRKSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573587251 947304622 /nfs/dbraw/zinc/30/46/22/947304622.db2.gz YPTGZGQBDRQHRR-NWDGAFQWSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573587251 947304630 /nfs/dbraw/zinc/30/46/30/947304630.db2.gz YPTGZGQBDRQHRR-NWDGAFQWSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cccc1 ZINC001573591513 947312439 /nfs/dbraw/zinc/31/24/39/947312439.db2.gz CCXGDNMEMCEDPB-HIFRSBDPSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cccc1 ZINC001573591513 947312456 /nfs/dbraw/zinc/31/24/56/947312456.db2.gz CCXGDNMEMCEDPB-HIFRSBDPSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)C(C)(F)F ZINC001573591484 947313119 /nfs/dbraw/zinc/31/31/19/947313119.db2.gz BUKOQXQPZVPWFR-QWRGUYRKSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)C(C)(F)F ZINC001573591484 947313134 /nfs/dbraw/zinc/31/31/34/947313134.db2.gz BUKOQXQPZVPWFR-QWRGUYRKSA-N -1 3 383.403 0.809 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001573591500 947313775 /nfs/dbraw/zinc/31/37/75/947313775.db2.gz BXZINDIDAHLNFX-MFKMUULPSA-N -1 3 389.485 0.486 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)C(F)(F)F ZINC001573591557 947317843 /nfs/dbraw/zinc/31/78/43/947317843.db2.gz CSWRXRSDSUCPJS-ZJUUUORDSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)C(F)(F)F ZINC001573591557 947317856 /nfs/dbraw/zinc/31/78/56/947317856.db2.gz CSWRXRSDSUCPJS-ZJUUUORDSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)c1ccco1 ZINC001573592063 947326093 /nfs/dbraw/zinc/32/60/93/947326093.db2.gz IJLNQWPGYXKLNO-TZMCWYRMSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)c1ccco1 ZINC001573592063 947326106 /nfs/dbraw/zinc/32/61/06/947326106.db2.gz IJLNQWPGYXKLNO-TZMCWYRMSA-N -1 3 385.428 0.914 20 0 GCADHM C[C@H](C(=O)N(C)[C@H](CNc1ncccc1-c1nnn[n-]1)C1CC1)n1cncn1 ZINC001573592278 947332121 /nfs/dbraw/zinc/33/21/21/947332121.db2.gz CAZGIWGUILDMIW-BXUZGUMPSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@H](C(=O)N(C)[C@H](CNc1ncccc1-c1nn[n-]n1)C1CC1)n1cncn1 ZINC001573592278 947332132 /nfs/dbraw/zinc/33/21/32/947332132.db2.gz CAZGIWGUILDMIW-BXUZGUMPSA-N -1 3 382.432 0.763 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573592709 947345876 /nfs/dbraw/zinc/34/58/76/947345876.db2.gz MAIUDZRPRBPQHE-VIFPVBQESA-N -1 3 384.487 0.004 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cccc1 ZINC001573592799 947348363 /nfs/dbraw/zinc/34/83/63/947348363.db2.gz NCSPNQQTXYXOLG-KGLIPLIRSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cccc1 ZINC001573592799 947348379 /nfs/dbraw/zinc/34/83/79/947348379.db2.gz NCSPNQQTXYXOLG-KGLIPLIRSA-N -1 3 384.444 0.580 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC001573593726 947378708 /nfs/dbraw/zinc/37/87/08/947378708.db2.gz VAHLOQUIOUHWAD-KOLCDFICSA-N -1 3 387.366 0.716 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC001573593726 947378727 /nfs/dbraw/zinc/37/87/27/947378727.db2.gz VAHLOQUIOUHWAD-KOLCDFICSA-N -1 3 387.366 0.716 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000825957888 947384011 /nfs/dbraw/zinc/38/40/11/947384011.db2.gz JOEGJTJFIHLYQU-UHFFFAOYSA-N -1 3 380.412 0.686 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000825957888 947384019 /nfs/dbraw/zinc/38/40/19/947384019.db2.gz JOEGJTJFIHLYQU-UHFFFAOYSA-N -1 3 380.412 0.686 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CCCN1CCOCC1 ZINC000825976956 947391244 /nfs/dbraw/zinc/39/12/44/947391244.db2.gz SVHYUICPNCDKBB-UHFFFAOYSA-N -1 3 380.474 0.351 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CCCN1CCOCC1 ZINC000825976956 947391249 /nfs/dbraw/zinc/39/12/49/947391249.db2.gz SVHYUICPNCDKBB-UHFFFAOYSA-N -1 3 380.474 0.351 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573594449 947396224 /nfs/dbraw/zinc/39/62/24/947396224.db2.gz ZCTXLUYLWZYALC-NSHDSACASA-N -1 3 385.407 0.501 20 0 GCADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573594449 947396236 /nfs/dbraw/zinc/39/62/36/947396236.db2.gz ZCTXLUYLWZYALC-NSHDSACASA-N -1 3 385.407 0.501 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573594704 947404082 /nfs/dbraw/zinc/40/40/82/947404082.db2.gz CNAZGJVUNZAEGT-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573594704 947404085 /nfs/dbraw/zinc/40/40/85/947404085.db2.gz CNAZGJVUNZAEGT-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@H]2CNc2nc3ccccn3c2-c2nnn[n-]2)C1=O ZINC000826018438 947405965 /nfs/dbraw/zinc/40/59/65/947405965.db2.gz ZCWDEUIAFFZOLC-BTDLBPIBSA-N -1 3 381.400 0.647 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@H]2CNc2nc3ccccn3c2-c2nn[n-]n2)C1=O ZINC000826018438 947405973 /nfs/dbraw/zinc/40/59/73/947405973.db2.gz ZCWDEUIAFFZOLC-BTDLBPIBSA-N -1 3 381.400 0.647 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573594881 947410424 /nfs/dbraw/zinc/41/04/24/947410424.db2.gz DIYRAGYAXANAJH-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573594881 947410428 /nfs/dbraw/zinc/41/04/28/947410428.db2.gz DIYRAGYAXANAJH-LBPRGKRZSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573594929 947410650 /nfs/dbraw/zinc/41/06/50/947410650.db2.gz UTUWSNLSVKSYPR-NWDGAFQWSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573594929 947410655 /nfs/dbraw/zinc/41/06/55/947410655.db2.gz UTUWSNLSVKSYPR-NWDGAFQWSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573595664 947425182 /nfs/dbraw/zinc/42/51/82/947425182.db2.gz HHNYEHRDYBTYNV-CMPLNLGQSA-N -1 3 377.449 0.426 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573595664 947425191 /nfs/dbraw/zinc/42/51/91/947425191.db2.gz HHNYEHRDYBTYNV-CMPLNLGQSA-N -1 3 377.449 0.426 20 0 GCADHM COC(=O)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC000826102937 947428013 /nfs/dbraw/zinc/42/80/13/947428013.db2.gz AUVAYSJHKLMKDS-MRXNPFEDSA-N -1 3 383.364 0.982 20 0 GCADHM COC(=O)[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1cccc(O)c1 ZINC000826104302 947430405 /nfs/dbraw/zinc/43/04/05/947430405.db2.gz UHCFNBUSJWCAKU-INIZCTEOSA-N -1 3 383.364 0.982 20 0 GCADHM COC(=O)[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1cccc(O)c1 ZINC000826104302 947430410 /nfs/dbraw/zinc/43/04/10/947430410.db2.gz UHCFNBUSJWCAKU-INIZCTEOSA-N -1 3 383.364 0.982 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)(C(=O)OC)CC1 ZINC000826129160 947442729 /nfs/dbraw/zinc/44/27/29/947442729.db2.gz KSALQONYMNVHOO-UHFFFAOYSA-N -1 3 376.373 0.200 20 0 GCADHM COC(=O)C1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)(C(=O)OC)CC1 ZINC000826129160 947442741 /nfs/dbraw/zinc/44/27/41/947442741.db2.gz KSALQONYMNVHOO-UHFFFAOYSA-N -1 3 376.373 0.200 20 0 GCADHM COC(=O)[C@@H]1CN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000826134339 947450086 /nfs/dbraw/zinc/45/00/86/947450086.db2.gz VOQSRMSWEYRBHX-CABCVRRESA-N -1 3 386.412 0.236 20 0 GCADHM COC(=O)[C@@H]1CN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000826134339 947450093 /nfs/dbraw/zinc/45/00/93/947450093.db2.gz VOQSRMSWEYRBHX-CABCVRRESA-N -1 3 386.412 0.236 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001573599253 947451988 /nfs/dbraw/zinc/45/19/88/947451988.db2.gz WVOZWJLHGUNYSM-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001573599253 947451997 /nfs/dbraw/zinc/45/19/97/947451997.db2.gz WVOZWJLHGUNYSM-DOMZBBRYSA-N -1 3 389.460 0.930 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573599200 947453339 /nfs/dbraw/zinc/45/33/39/947453339.db2.gz VSQJWOZZZUVRRF-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573599200 947453355 /nfs/dbraw/zinc/45/33/55/947453355.db2.gz VSQJWOZZZUVRRF-YPMHNXCESA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573599622 947456997 /nfs/dbraw/zinc/45/69/97/947456997.db2.gz YVRRRTBEOFQRCD-NWDGAFQWSA-N -1 3 387.473 0.814 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001573599622 947457003 /nfs/dbraw/zinc/45/70/03/947457003.db2.gz YVRRRTBEOFQRCD-NWDGAFQWSA-N -1 3 387.473 0.814 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573599695 947459624 /nfs/dbraw/zinc/45/96/24/947459624.db2.gz ZQFINFKPRRWZSA-SWLSCSKDSA-N -1 3 392.485 0.333 20 0 GCADHM CC(C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)=C1CCCC1 ZINC001573599748 947460599 /nfs/dbraw/zinc/46/05/99/947460599.db2.gz ZWASTYNCMWJMBA-ZDUSSCGKSA-N -1 3 387.444 0.634 20 0 GCADHM CC(C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)=C1CCCC1 ZINC001573599748 947460608 /nfs/dbraw/zinc/46/06/08/947460608.db2.gz ZWASTYNCMWJMBA-ZDUSSCGKSA-N -1 3 387.444 0.634 20 0 GCADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC001573599691 947461162 /nfs/dbraw/zinc/46/11/62/947461162.db2.gz ZQFINFKPRRWZSA-DOMZBBRYSA-N -1 3 392.485 0.333 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cccn1 ZINC001573603217 947481892 /nfs/dbraw/zinc/48/18/92/947481892.db2.gz FBACTHOUPUMCHY-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cccn1 ZINC001573603217 947481902 /nfs/dbraw/zinc/48/19/02/947481902.db2.gz FBACTHOUPUMCHY-NSHDSACASA-N -1 3 383.416 0.373 20 0 GCADHM COCC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(N)=O ZINC000826154048 947485985 /nfs/dbraw/zinc/48/59/85/947485985.db2.gz GXDCXDHUCWWYLB-JTQLQIEISA-N -1 3 387.322 0.897 20 0 GCADHM COCC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(N)=O ZINC000826154048 947485993 /nfs/dbraw/zinc/48/59/93/947485993.db2.gz GXDCXDHUCWWYLB-JTQLQIEISA-N -1 3 387.322 0.897 20 0 GCADHM COCC[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C(N)=O ZINC000826154831 947487871 /nfs/dbraw/zinc/48/78/71/947487871.db2.gz YMQWPTMVFIWGIH-LLVKDONJSA-N -1 3 393.473 0.286 20 0 GCADHM COCC[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C(N)=O ZINC000826154831 947487875 /nfs/dbraw/zinc/48/78/75/947487875.db2.gz YMQWPTMVFIWGIH-LLVKDONJSA-N -1 3 393.473 0.286 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1cccc(F)c1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573603535 947489818 /nfs/dbraw/zinc/48/98/18/947489818.db2.gz MQSGADAZOMCVRQ-YPMHNXCESA-N -1 3 389.435 0.815 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1cccc(F)c1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573603535 947489826 /nfs/dbraw/zinc/48/98/26/947489826.db2.gz MQSGADAZOMCVRQ-YPMHNXCESA-N -1 3 389.435 0.815 20 0 GCADHM COCCCS(=O)(=O)N1CCN(c2nccc(C)c2-c2nnn[n-]2)CC1 ZINC000826157087 947495282 /nfs/dbraw/zinc/49/52/82/947495282.db2.gz HHUTWANUIOVQCM-UHFFFAOYSA-N -1 3 381.462 0.058 20 0 GCADHM COCCCS(=O)(=O)N1CCN(c2nccc(C)c2-c2nn[n-]n2)CC1 ZINC000826157087 947495289 /nfs/dbraw/zinc/49/52/89/947495289.db2.gz HHUTWANUIOVQCM-UHFFFAOYSA-N -1 3 381.462 0.058 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573603726 947497008 /nfs/dbraw/zinc/49/70/08/947497008.db2.gz PCDCZUSRKVFSEO-GFCCVEGCSA-N -1 3 382.428 0.924 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573603726 947497015 /nfs/dbraw/zinc/49/70/15/947497015.db2.gz PCDCZUSRKVFSEO-GFCCVEGCSA-N -1 3 382.428 0.924 20 0 GCADHM COCCN1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826159694 947502148 /nfs/dbraw/zinc/50/21/48/947502148.db2.gz OSENCQKTYCVALW-KRWDZBQOSA-N -1 3 385.472 0.626 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000826162081 947510215 /nfs/dbraw/zinc/51/02/15/947510215.db2.gz MMGTVGYYOAFCPJ-AWEZNQCLSA-N -1 3 398.427 0.843 20 0 GCADHM C[C@H](C(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573604575 947512561 /nfs/dbraw/zinc/51/25/61/947512561.db2.gz PHEWBYUAYSGGFF-CMPLNLGQSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](C(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1)[C@H]1CCC(=O)N1 ZINC001573604575 947512570 /nfs/dbraw/zinc/51/25/70/947512570.db2.gz PHEWBYUAYSGGFF-CMPLNLGQSA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001573604823 947518771 /nfs/dbraw/zinc/51/87/71/947518771.db2.gz WHGILWFCXHDJKL-NSHDSACASA-N -1 3 387.423 0.833 20 0 GCADHM C[C@H](C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001573604823 947518780 /nfs/dbraw/zinc/51/87/80/947518780.db2.gz WHGILWFCXHDJKL-NSHDSACASA-N -1 3 387.423 0.833 20 0 GCADHM C[C@H](C(=O)N(C)CCN1CCN(c2nccnc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573605109 947523065 /nfs/dbraw/zinc/52/30/65/947523065.db2.gz YLRMQTBERRTSHU-ZDUSSCGKSA-N -1 3 385.476 0.283 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCC(=O)N1 ZINC001573605087 947524003 /nfs/dbraw/zinc/52/40/03/947524003.db2.gz YIPVTQPARFXKKE-ZWNOBZJWSA-N -1 3 390.423 0.210 20 0 GCADHM C[C@@H](C(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCC(=O)N1 ZINC001573605087 947524012 /nfs/dbraw/zinc/52/40/12/947524012.db2.gz YIPVTQPARFXKKE-ZWNOBZJWSA-N -1 3 390.423 0.210 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573606939 947537037 /nfs/dbraw/zinc/53/70/37/947537037.db2.gz AZTJGKQAKCFNDD-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573606939 947537046 /nfs/dbraw/zinc/53/70/46/947537046.db2.gz AZTJGKQAKCFNDD-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573607116 947540261 /nfs/dbraw/zinc/54/02/61/947540261.db2.gz FSWOIYFKJUFYLZ-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573607116 947540270 /nfs/dbraw/zinc/54/02/70/947540270.db2.gz FSWOIYFKJUFYLZ-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cccnc1 ZINC001573607148 947540591 /nfs/dbraw/zinc/54/05/91/947540591.db2.gz GBJBFVGHERGYIX-NSHDSACASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cccnc1 ZINC001573607148 947540601 /nfs/dbraw/zinc/54/06/01/947540601.db2.gz GBJBFVGHERGYIX-NSHDSACASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573607115 947541361 /nfs/dbraw/zinc/54/13/61/947541361.db2.gz FSWOIYFKJUFYLZ-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573607115 947541368 /nfs/dbraw/zinc/54/13/68/947541368.db2.gz FSWOIYFKJUFYLZ-JTQLQIEISA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573607358 947547219 /nfs/dbraw/zinc/54/72/19/947547219.db2.gz LIMZEPXYELZKHG-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573607358 947547230 /nfs/dbraw/zinc/54/72/30/947547230.db2.gz LIMZEPXYELZKHG-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573607357 947547522 /nfs/dbraw/zinc/54/75/22/947547522.db2.gz LIMZEPXYELZKHG-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573607357 947547535 /nfs/dbraw/zinc/54/75/35/947547535.db2.gz LIMZEPXYELZKHG-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573607592 947548741 /nfs/dbraw/zinc/54/87/41/947548741.db2.gz OYWXIOSZIDXQBX-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573607592 947548750 /nfs/dbraw/zinc/54/87/50/947548750.db2.gz OYWXIOSZIDXQBX-SNVBAGLBSA-N -1 3 383.416 0.015 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573607477 947549410 /nfs/dbraw/zinc/54/94/10/947549410.db2.gz NTIOGUKUASVAEM-LLVKDONJSA-N -1 3 389.395 0.091 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573607477 947549418 /nfs/dbraw/zinc/54/94/18/947549418.db2.gz NTIOGUKUASVAEM-LLVKDONJSA-N -1 3 389.395 0.091 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573607836 947552928 /nfs/dbraw/zinc/55/29/28/947552928.db2.gz SIXIEXUVFRAVPA-NSHDSACASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573607836 947552935 /nfs/dbraw/zinc/55/29/35/947552935.db2.gz SIXIEXUVFRAVPA-NSHDSACASA-N -1 3 380.412 0.676 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F)C(C)(F)F ZINC001573608208 947557129 /nfs/dbraw/zinc/55/71/29/947557129.db2.gz WFGGCTLJQCXDMG-SECBINFHSA-N -1 3 387.366 0.925 20 0 GCADHM C[C@H](C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F)C(C)(F)F ZINC001573608208 947557134 /nfs/dbraw/zinc/55/71/34/947557134.db2.gz WFGGCTLJQCXDMG-SECBINFHSA-N -1 3 387.366 0.925 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2)C1CC1 ZINC001573613448 947563223 /nfs/dbraw/zinc/56/32/23/947563223.db2.gz AJDBICJTWQWLMF-MFKMUULPSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@@H](C(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2)C1CC1 ZINC001573613448 947563235 /nfs/dbraw/zinc/56/32/35/947563235.db2.gz AJDBICJTWQWLMF-MFKMUULPSA-N -1 3 385.428 0.341 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000826184861 947565426 /nfs/dbraw/zinc/56/54/26/947565426.db2.gz NPHBMDRHHNLAGC-CUOATXAZSA-N -1 3 388.428 0.990 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000826184861 947565433 /nfs/dbraw/zinc/56/54/33/947565433.db2.gz NPHBMDRHHNLAGC-CUOATXAZSA-N -1 3 388.428 0.990 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(CCCO)CC1 ZINC000826184744 947565928 /nfs/dbraw/zinc/56/59/28/947565928.db2.gz JBTUXOYKBGMASM-UHFFFAOYSA-N -1 3 388.428 0.825 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(CCCO)CC1 ZINC000826184744 947565941 /nfs/dbraw/zinc/56/59/41/947565941.db2.gz JBTUXOYKBGMASM-UHFFFAOYSA-N -1 3 388.428 0.825 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573613619 947566706 /nfs/dbraw/zinc/56/67/06/947566706.db2.gz DXEXPKSQHTWINS-BNOWGMLFSA-N -1 3 380.416 0.294 20 0 GCADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573613619 947566712 /nfs/dbraw/zinc/56/67/12/947566712.db2.gz DXEXPKSQHTWINS-BNOWGMLFSA-N -1 3 380.416 0.294 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000826185273 947569139 /nfs/dbraw/zinc/56/91/39/947569139.db2.gz FTFLZOIYWOXDGS-AWEZNQCLSA-N -1 3 388.428 0.727 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1([C@@H](O)C(C)C)CC1 ZINC000826185273 947569147 /nfs/dbraw/zinc/56/91/47/947569147.db2.gz FTFLZOIYWOXDGS-AWEZNQCLSA-N -1 3 388.428 0.727 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cccc1 ZINC001573615397 947603878 /nfs/dbraw/zinc/60/38/78/947603878.db2.gz DUJXEEGVKLGQMQ-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cccc1 ZINC001573615397 947603884 /nfs/dbraw/zinc/60/38/84/947603884.db2.gz DUJXEEGVKLGQMQ-GFCCVEGCSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573615363 947605017 /nfs/dbraw/zinc/60/50/17/947605017.db2.gz DNXBHSRZGFSBOC-OLZOCXBDSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573615363 947605024 /nfs/dbraw/zinc/60/50/24/947605024.db2.gz DNXBHSRZGFSBOC-OLZOCXBDSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573615785 947612787 /nfs/dbraw/zinc/61/27/87/947612787.db2.gz KLXZEQLEQAYYOA-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573615785 947612797 /nfs/dbraw/zinc/61/27/97/947612797.db2.gz KLXZEQLEQAYYOA-RYUDHWBXSA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573617828 947640306 /nfs/dbraw/zinc/64/03/06/947640306.db2.gz NJDFDDXVNCGTPE-WCQYABFASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573617828 947640318 /nfs/dbraw/zinc/64/03/18/947640318.db2.gz NJDFDDXVNCGTPE-WCQYABFASA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573617812 947641527 /nfs/dbraw/zinc/64/15/27/947641527.db2.gz NENXIINNEMADIZ-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573617812 947641534 /nfs/dbraw/zinc/64/15/34/947641534.db2.gz NENXIINNEMADIZ-WCQYABFASA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)[C@H]1CCCO1 ZINC001573617966 947645029 /nfs/dbraw/zinc/64/50/29/947645029.db2.gz NWEJXLDPDKTCPH-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)[C@H]1CCCO1 ZINC001573617966 947645036 /nfs/dbraw/zinc/64/50/36/947645036.db2.gz NWEJXLDPDKTCPH-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573618894 947658434 /nfs/dbraw/zinc/65/84/34/947658434.db2.gz SQINUMMDUFMJQZ-DIFFPNOSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573618894 947658438 /nfs/dbraw/zinc/65/84/38/947658438.db2.gz SQINUMMDUFMJQZ-DIFFPNOSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573619851 947671308 /nfs/dbraw/zinc/67/13/08/947671308.db2.gz WZSFTTOPICXJKL-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573619851 947671315 /nfs/dbraw/zinc/67/13/15/947671315.db2.gz WZSFTTOPICXJKL-STQMWFEESA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573619848 947672084 /nfs/dbraw/zinc/67/20/84/947672084.db2.gz WZSFTTOPICXJKL-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573619848 947672088 /nfs/dbraw/zinc/67/20/88/947672088.db2.gz WZSFTTOPICXJKL-QWHCGFSZSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573619978 947673754 /nfs/dbraw/zinc/67/37/54/947673754.db2.gz ZDEVHFOCCPXGDG-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573619978 947673760 /nfs/dbraw/zinc/67/37/60/947673760.db2.gz ZDEVHFOCCPXGDG-GXFFZTMASA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573620290 947678743 /nfs/dbraw/zinc/67/87/43/947678743.db2.gz ZICJFWUCXWCOTA-SGTLLEGYSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573620290 947678745 /nfs/dbraw/zinc/67/87/45/947678745.db2.gz ZICJFWUCXWCOTA-SGTLLEGYSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001573622602 947680910 /nfs/dbraw/zinc/68/09/10/947680910.db2.gz BHPOICRSULOCRC-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001573622602 947680914 /nfs/dbraw/zinc/68/09/14/947680914.db2.gz BHPOICRSULOCRC-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573622469 947681115 /nfs/dbraw/zinc/68/11/15/947681115.db2.gz ACDPRRQRKRINKE-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573622469 947681121 /nfs/dbraw/zinc/68/11/21/947681121.db2.gz ACDPRRQRKRINKE-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CCN1S(C)(=O)=O ZINC000826232861 947682984 /nfs/dbraw/zinc/68/29/84/947682984.db2.gz LEWUGGIWMRVCNU-NSHDSACASA-N -1 3 377.474 0.611 20 0 GCADHM C[C@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CCN1S(C)(=O)=O ZINC000826232861 947682987 /nfs/dbraw/zinc/68/29/87/947682987.db2.gz LEWUGGIWMRVCNU-NSHDSACASA-N -1 3 377.474 0.611 20 0 GCADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC(=O)N(C)C2)c1-c1nnn[n-]1 ZINC000826233321 947684572 /nfs/dbraw/zinc/68/45/72/947684572.db2.gz CHDDLZXWGXUVIJ-UHFFFAOYSA-N -1 3 394.439 0.944 20 0 GCADHM Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC(=O)N(C)C2)c1-c1nn[n-]n1 ZINC000826233321 947684576 /nfs/dbraw/zinc/68/45/76/947684576.db2.gz CHDDLZXWGXUVIJ-UHFFFAOYSA-N -1 3 394.439 0.944 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)cc1 ZINC001573359470 947687519 /nfs/dbraw/zinc/68/75/19/947687519.db2.gz VIORQMFLSDKHCM-SJORKVTESA-N -1 3 377.408 0.884 20 0 GCADHM C=Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)cc1 ZINC001573359470 947687524 /nfs/dbraw/zinc/68/75/24/947687524.db2.gz VIORQMFLSDKHCM-SJORKVTESA-N -1 3 377.408 0.884 20 0 GCADHM Cc1c(Cl)cnc(N2CCC3(CC2)NC(=O)N(C)C3=O)c1-c1nnn[n-]1 ZINC000826238211 947700897 /nfs/dbraw/zinc/70/08/97/947700897.db2.gz ZPDLWSVSPDTZHM-UHFFFAOYSA-N -1 3 376.808 0.744 20 0 GCADHM Cc1c(Cl)cnc(N2CCC3(CC2)NC(=O)N(C)C3=O)c1-c1nn[n-]n1 ZINC000826238211 947700903 /nfs/dbraw/zinc/70/09/03/947700903.db2.gz ZPDLWSVSPDTZHM-UHFFFAOYSA-N -1 3 376.808 0.744 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cncnc1 ZINC001573625624 947703629 /nfs/dbraw/zinc/70/36/29/947703629.db2.gz PRWPEEKBKQWHJI-MFKMUULPSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cncnc1 ZINC001573625624 947703635 /nfs/dbraw/zinc/70/36/35/947703635.db2.gz PRWPEEKBKQWHJI-MFKMUULPSA-N -1 3 381.400 0.119 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cnn(C)c1 ZINC001573625917 947703666 /nfs/dbraw/zinc/70/36/66/947703666.db2.gz QCZFIQCYLJCLOA-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cnn(C)c1 ZINC001573625917 947703672 /nfs/dbraw/zinc/70/36/72/947703672.db2.gz QCZFIQCYLJCLOA-ZYHUDNBSSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573626410 947708677 /nfs/dbraw/zinc/70/86/77/947708677.db2.gz UQMDGDRAZQXYLU-NEPJUHHUSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573626410 947708689 /nfs/dbraw/zinc/70/86/89/947708689.db2.gz UQMDGDRAZQXYLU-NEPJUHHUSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573626412 947708910 /nfs/dbraw/zinc/70/89/10/947708910.db2.gz UQMDGDRAZQXYLU-NWDGAFQWSA-N -1 3 383.416 0.325 20 0 GCADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573626412 947708920 /nfs/dbraw/zinc/70/89/20/947708920.db2.gz UQMDGDRAZQXYLU-NWDGAFQWSA-N -1 3 383.416 0.325 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCC3)cccc1-c1nnn[n-]1 ZINC000826240855 947713954 /nfs/dbraw/zinc/71/39/54/947713954.db2.gz JBEMPAIBCAFGDA-SNVBAGLBSA-N -1 3 381.400 0.529 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H](C)c2nnc3n2CCC3)cccc1-c1nn[n-]n1 ZINC000826240855 947713964 /nfs/dbraw/zinc/71/39/64/947713964.db2.gz JBEMPAIBCAFGDA-SNVBAGLBSA-N -1 3 381.400 0.529 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573627473 947724507 /nfs/dbraw/zinc/72/45/07/947724507.db2.gz BWLSGGDHGDGHPX-LBPRGKRZSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573627473 947724513 /nfs/dbraw/zinc/72/45/13/947724513.db2.gz BWLSGGDHGDGHPX-LBPRGKRZSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573628088 947745696 /nfs/dbraw/zinc/74/56/96/947745696.db2.gz ILDNALQSKIRUAG-JSGCOSHPSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573628088 947745705 /nfs/dbraw/zinc/74/57/05/947745705.db2.gz ILDNALQSKIRUAG-JSGCOSHPSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573628087 947746382 /nfs/dbraw/zinc/74/63/82/947746382.db2.gz ILDNALQSKIRUAG-GXTWGEPZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573628087 947746392 /nfs/dbraw/zinc/74/63/92/947746392.db2.gz ILDNALQSKIRUAG-GXTWGEPZSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573628854 947764844 /nfs/dbraw/zinc/76/48/44/947764844.db2.gz OMECOZCWMNNWBN-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573628854 947764850 /nfs/dbraw/zinc/76/48/50/947764850.db2.gz OMECOZCWMNNWBN-TZMCWYRMSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628807 947765296 /nfs/dbraw/zinc/76/52/96/947765296.db2.gz OGLXIEBDMYIUQZ-JSGCOSHPSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628807 947765298 /nfs/dbraw/zinc/76/52/98/947765298.db2.gz OGLXIEBDMYIUQZ-JSGCOSHPSA-N -1 3 382.432 0.907 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573628947 947766974 /nfs/dbraw/zinc/76/69/74/947766974.db2.gz PHZKAHWPOLMMKR-TZMCWYRMSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@H](C(=O)N1CCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573628947 947766978 /nfs/dbraw/zinc/76/69/78/947766978.db2.gz PHZKAHWPOLMMKR-TZMCWYRMSA-N -1 3 382.432 0.542 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573369654 947775863 /nfs/dbraw/zinc/77/58/63/947775863.db2.gz WCTSEIIIWGMERD-AWEZNQCLSA-N -1 3 375.433 0.277 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573369654 947775870 /nfs/dbraw/zinc/77/58/70/947775870.db2.gz WCTSEIIIWGMERD-AWEZNQCLSA-N -1 3 375.433 0.277 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573369895 947777559 /nfs/dbraw/zinc/77/75/59/947777559.db2.gz ZDCDQOXDTZTHHO-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573369895 947777562 /nfs/dbraw/zinc/77/75/62/947777562.db2.gz ZDCDQOXDTZTHHO-ZDUSSCGKSA-N -1 3 387.444 0.875 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001573369879 947777763 /nfs/dbraw/zinc/77/77/63/947777763.db2.gz YXOAFCBUIOUTSD-ZSOGYDGISA-N -1 3 385.428 0.388 20 0 GCADHM CC(=O)CCCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573369879 947777770 /nfs/dbraw/zinc/77/77/70/947777770.db2.gz YXOAFCBUIOUTSD-ZSOGYDGISA-N -1 3 385.428 0.388 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573629385 947780099 /nfs/dbraw/zinc/78/00/99/947780099.db2.gz SJBVXHDYUNNPSP-LBPRGKRZSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@@H](C(=O)N1CCCCC1)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573629385 947780103 /nfs/dbraw/zinc/78/01/03/947780103.db2.gz SJBVXHDYUNNPSP-LBPRGKRZSA-N -1 3 386.460 0.352 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573630284 947790274 /nfs/dbraw/zinc/79/02/74/947790274.db2.gz XOAVYTLUMCPIRJ-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H](C(=O)N1CCCCC1)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573630284 947790281 /nfs/dbraw/zinc/79/02/81/947790281.db2.gz XOAVYTLUMCPIRJ-OCCSQVGLSA-N -1 3 386.460 0.400 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC001573373470 947794181 /nfs/dbraw/zinc/79/41/81/947794181.db2.gz JCUWXQUZUFAOIS-WCQYABFASA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001573373470 947794189 /nfs/dbraw/zinc/79/41/89/947794189.db2.gz JCUWXQUZUFAOIS-WCQYABFASA-N -1 3 387.444 0.921 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573630732 947795038 /nfs/dbraw/zinc/79/50/38/947795038.db2.gz RWDLBFNRRHUURB-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573630732 947795048 /nfs/dbraw/zinc/79/50/48/947795048.db2.gz RWDLBFNRRHUURB-NEPJUHHUSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573373709 947796905 /nfs/dbraw/zinc/79/69/05/947796905.db2.gz KPTTUPLMUXYRDR-GOSISDBHSA-N -1 3 387.444 0.786 20 0 GCADHM CC(=O)CCCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573373709 947796913 /nfs/dbraw/zinc/79/69/13/947796913.db2.gz KPTTUPLMUXYRDR-GOSISDBHSA-N -1 3 387.444 0.786 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573373781 947799090 /nfs/dbraw/zinc/79/90/90/947799090.db2.gz LNLRQHBSVKDIBC-UHFFFAOYSA-N -1 3 387.444 0.786 20 0 GCADHM CC(=O)CCCC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573373781 947799096 /nfs/dbraw/zinc/79/90/96/947799096.db2.gz LNLRQHBSVKDIBC-UHFFFAOYSA-N -1 3 387.444 0.786 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573631374 947799170 /nfs/dbraw/zinc/79/91/70/947799170.db2.gz UUUFWZPJCFWEAE-QWRGUYRKSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573631374 947799174 /nfs/dbraw/zinc/79/91/74/947799174.db2.gz UUUFWZPJCFWEAE-QWRGUYRKSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573631487 947802535 /nfs/dbraw/zinc/80/25/35/947802535.db2.gz VMXHKTVNRKJJND-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573631487 947802543 /nfs/dbraw/zinc/80/25/43/947802543.db2.gz VMXHKTVNRKJJND-ADLMAVQZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)n1cncn1 ZINC001573632265 947811322 /nfs/dbraw/zinc/81/13/22/947811322.db2.gz ZNWCCBGQHYFTKI-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM C[C@H](C(=O)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)n1cncn1 ZINC001573632265 947811325 /nfs/dbraw/zinc/81/13/25/947811325.db2.gz ZNWCCBGQHYFTKI-CHWSQXEVSA-N -1 3 382.432 0.765 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573374691 947811685 /nfs/dbraw/zinc/81/16/85/947811685.db2.gz LENATCBJUXCEID-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573374691 947811690 /nfs/dbraw/zinc/81/16/90/947811690.db2.gz LENATCBJUXCEID-GXTWGEPZSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)n1cncn1 ZINC001573637471 947815818 /nfs/dbraw/zinc/81/58/18/947815818.db2.gz FGSCWCUOKLTZHD-GFCCVEGCSA-N -1 3 387.473 0.815 20 0 GCADHM C[C@H](C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)s2)CC1)n1cncn1 ZINC001573637471 947815824 /nfs/dbraw/zinc/81/58/24/947815824.db2.gz FGSCWCUOKLTZHD-GFCCVEGCSA-N -1 3 387.473 0.815 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccc1 ZINC001573637792 947823740 /nfs/dbraw/zinc/82/37/40/947823740.db2.gz QRXFMZGTFIUNHD-ZDUSSCGKSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccc1 ZINC001573637792 947823746 /nfs/dbraw/zinc/82/37/46/947823746.db2.gz QRXFMZGTFIUNHD-ZDUSSCGKSA-N -1 3 382.428 0.932 20 0 GCADHM CC(=O)CCCC(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573375686 947824066 /nfs/dbraw/zinc/82/40/66/947824066.db2.gz TXHLTZVOPAWNLC-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM CC(=O)CCCC(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573375686 947824071 /nfs/dbraw/zinc/82/40/71/947824071.db2.gz TXHLTZVOPAWNLC-UHFFFAOYSA-N -1 3 385.428 0.629 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637967 947828449 /nfs/dbraw/zinc/82/84/49/947828449.db2.gz XQFXMVLOGIXIHE-JSGCOSHPSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[C@@H]1CCC(=O)N1 ZINC001573637967 947828453 /nfs/dbraw/zinc/82/84/53/947828453.db2.gz XQFXMVLOGIXIHE-JSGCOSHPSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1cncnc1 ZINC001573638100 947833594 /nfs/dbraw/zinc/83/35/94/947833594.db2.gz CWLHVFDQAZXHLH-LLVKDONJSA-N -1 3 381.400 0.073 20 0 GCADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1cncnc1 ZINC001573638100 947833600 /nfs/dbraw/zinc/83/36/00/947833600.db2.gz CWLHVFDQAZXHLH-LLVKDONJSA-N -1 3 381.400 0.073 20 0 GCADHM C[C@@H](C(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573638411 947839503 /nfs/dbraw/zinc/83/95/03/947839503.db2.gz NDIXDPQEUVUSQQ-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@@H](C(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573638411 947839507 /nfs/dbraw/zinc/83/95/07/947839507.db2.gz NDIXDPQEUVUSQQ-GFCCVEGCSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@H](C(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C1CC1 ZINC001573638412 947839521 /nfs/dbraw/zinc/83/95/21/947839521.db2.gz NDIXDPQEUVUSQQ-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM C[C@H](C(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C1CC1 ZINC001573638412 947839529 /nfs/dbraw/zinc/83/95/29/947839529.db2.gz NDIXDPQEUVUSQQ-LBPRGKRZSA-N -1 3 386.460 0.115 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573376914 947843575 /nfs/dbraw/zinc/84/35/75/947843575.db2.gz FGKHTDZHGPTVIQ-NFAWXSAZSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573376914 947843584 /nfs/dbraw/zinc/84/35/84/947843584.db2.gz FGKHTDZHGPTVIQ-NFAWXSAZSA-N -1 3 385.428 0.816 20 0 GCADHM C[C@H](C(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)[C@@H]1CCCO1 ZINC001573639749 947848787 /nfs/dbraw/zinc/84/87/87/947848787.db2.gz CEYYHYLWAZRSCR-FZMZJTMJSA-N -1 3 375.408 0.865 20 0 GCADHM C[C@H](C(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)[C@@H]1CCCO1 ZINC001573639749 947848798 /nfs/dbraw/zinc/84/87/98/947848798.db2.gz CEYYHYLWAZRSCR-FZMZJTMJSA-N -1 3 375.408 0.865 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573377582 947850018 /nfs/dbraw/zinc/85/00/18/947850018.db2.gz OXGCNLOSHDDWDC-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573377582 947850025 /nfs/dbraw/zinc/85/00/25/947850025.db2.gz OXGCNLOSHDDWDC-CHWSQXEVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573377718 947850093 /nfs/dbraw/zinc/85/00/93/947850093.db2.gz RBPUIXOXBSOIFM-WDEREUQCSA-N -1 3 375.433 0.967 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573377718 947850099 /nfs/dbraw/zinc/85/00/99/947850099.db2.gz RBPUIXOXBSOIFM-WDEREUQCSA-N -1 3 375.433 0.967 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNc2ncccc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573640959 947854410 /nfs/dbraw/zinc/85/44/10/947854410.db2.gz KKEZZKXYIZXQJF-QWHCGFSZSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNc2ncccc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573640959 947854416 /nfs/dbraw/zinc/85/44/16/947854416.db2.gz KKEZZKXYIZXQJF-QWHCGFSZSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573642301 947860492 /nfs/dbraw/zinc/86/04/92/947860492.db2.gz PSZHFXHEJJNKKA-RYUDHWBXSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573642301 947860501 /nfs/dbraw/zinc/86/05/01/947860501.db2.gz PSZHFXHEJJNKKA-RYUDHWBXSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCC1 ZINC001573642445 947860824 /nfs/dbraw/zinc/86/08/24/947860824.db2.gz QMDNEGLUQLJBAX-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCC1 ZINC001573642445 947860833 /nfs/dbraw/zinc/86/08/33/947860833.db2.gz QMDNEGLUQLJBAX-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573380572 947861679 /nfs/dbraw/zinc/86/16/79/947861679.db2.gz FVONIHHIKVPCAK-IRXDYDNUSA-N -1 3 386.456 0.677 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CCC1 ZINC001573643661 947865269 /nfs/dbraw/zinc/86/52/69/947865269.db2.gz VXSYMXUDRFKPIP-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CCC1 ZINC001573643661 947865275 /nfs/dbraw/zinc/86/52/75/947865275.db2.gz VXSYMXUDRFKPIP-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573643714 947866942 /nfs/dbraw/zinc/86/69/42/947866942.db2.gz WNWQZZDOIZBKCG-WCQYABFASA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573643714 947866949 /nfs/dbraw/zinc/86/69/49/947866949.db2.gz WNWQZZDOIZBKCG-WCQYABFASA-N -1 3 389.460 0.834 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573380929 947867606 /nfs/dbraw/zinc/86/76/06/947867606.db2.gz KEJXTOGDOOLADE-ZSOGYDGISA-N -1 3 387.419 0.959 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573380929 947867611 /nfs/dbraw/zinc/86/76/11/947867611.db2.gz KEJXTOGDOOLADE-ZSOGYDGISA-N -1 3 387.419 0.959 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573381200 947870457 /nfs/dbraw/zinc/87/04/57/947870457.db2.gz QJVHKJPRBWLZAX-ZSOGYDGISA-N -1 3 385.428 0.388 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573381200 947870460 /nfs/dbraw/zinc/87/04/60/947870460.db2.gz QJVHKJPRBWLZAX-ZSOGYDGISA-N -1 3 385.428 0.388 20 0 GCADHM Cc1cccc(OC[C@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826299946 947871691 /nfs/dbraw/zinc/87/16/91/947871691.db2.gz BUMVJHTZCOQPPE-WBVHZDCISA-N -1 3 383.408 0.765 20 0 GCADHM Cc1cccc(OC[C@H](O)CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826299946 947871697 /nfs/dbraw/zinc/87/16/97/947871697.db2.gz BUMVJHTZCOQPPE-WBVHZDCISA-N -1 3 383.408 0.765 20 0 GCADHM Cc1cccc(OC[C@H](O)CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826299944 947872289 /nfs/dbraw/zinc/87/22/89/947872289.db2.gz BUMVJHTZCOQPPE-NVXWUHKLSA-N -1 3 383.408 0.765 20 0 GCADHM Cc1cccc(OC[C@H](O)CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826299944 947872299 /nfs/dbraw/zinc/87/22/99/947872299.db2.gz BUMVJHTZCOQPPE-NVXWUHKLSA-N -1 3 383.408 0.765 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573381362 947872667 /nfs/dbraw/zinc/87/26/67/947872667.db2.gz UBQVWINNUIZUKH-NSHDSACASA-N -1 3 381.824 0.563 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573381362 947872672 /nfs/dbraw/zinc/87/26/72/947872672.db2.gz UBQVWINNUIZUKH-NSHDSACASA-N -1 3 381.824 0.563 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573381367 947873123 /nfs/dbraw/zinc/87/31/23/947873123.db2.gz UDFHHJHOKYTXJS-CQSZACIVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573381367 947873129 /nfs/dbraw/zinc/87/31/29/947873129.db2.gz UDFHHJHOKYTXJS-CQSZACIVSA-N -1 3 387.444 0.921 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573381461 947874184 /nfs/dbraw/zinc/87/41/84/947874184.db2.gz VSXYQUFFKUYVAS-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573381461 947874194 /nfs/dbraw/zinc/87/41/94/947874194.db2.gz VSXYQUFFKUYVAS-TZMCWYRMSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573381462 947874212 /nfs/dbraw/zinc/87/42/12/947874212.db2.gz VTFZFYZPSVJGIN-GOSISDBHSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573381462 947874221 /nfs/dbraw/zinc/87/42/21/947874221.db2.gz VTFZFYZPSVJGIN-GOSISDBHSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573381460 947874763 /nfs/dbraw/zinc/87/47/63/947874763.db2.gz VSXYQUFFKUYVAS-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573381460 947874768 /nfs/dbraw/zinc/87/47/68/947874768.db2.gz VSXYQUFFKUYVAS-OCCSQVGLSA-N -1 3 387.444 0.969 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)n1cncn1 ZINC001573646769 947878307 /nfs/dbraw/zinc/87/83/07/947878307.db2.gz UHGKVVILTOAVRR-TYNCELHUSA-N -1 3 380.416 0.152 20 0 GCADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)n1cncn1 ZINC001573646769 947878312 /nfs/dbraw/zinc/87/83/12/947878312.db2.gz UHGKVVILTOAVRR-TYNCELHUSA-N -1 3 380.416 0.152 20 0 GCADHM CC(=O)CCCC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573382487 947884955 /nfs/dbraw/zinc/88/49/55/947884955.db2.gz HHSMDFJPIJWSDK-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM CC(=O)CCCC(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573382487 947884961 /nfs/dbraw/zinc/88/49/61/947884961.db2.gz HHSMDFJPIJWSDK-UHFFFAOYSA-N -1 3 386.460 0.259 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573382816 947887318 /nfs/dbraw/zinc/88/73/18/947887318.db2.gz KZCRXHCZRKFMQJ-KRWDZBQOSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573382816 947887328 /nfs/dbraw/zinc/88/73/28/947887328.db2.gz KZCRXHCZRKFMQJ-KRWDZBQOSA-N -1 3 386.456 0.943 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647205 947888248 /nfs/dbraw/zinc/88/82/48/947888248.db2.gz DTNTVRLTZRMWAI-OJLVUWQFSA-N -1 3 383.456 0.971 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)[C@@H]1CCCO1 ZINC001573647205 947888257 /nfs/dbraw/zinc/88/82/57/947888257.db2.gz DTNTVRLTZRMWAI-OJLVUWQFSA-N -1 3 383.456 0.971 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001573383212 947890489 /nfs/dbraw/zinc/89/04/89/947890489.db2.gz QDHXUEFPVQPNHV-AAEUAGOBSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001573383212 947890494 /nfs/dbraw/zinc/89/04/94/947890494.db2.gz QDHXUEFPVQPNHV-AAEUAGOBSA-N -1 3 387.444 0.778 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573383515 947892911 /nfs/dbraw/zinc/89/29/11/947892911.db2.gz UVGIITWNCLBDBD-INIZCTEOSA-N -1 3 386.456 0.943 20 0 GCADHM CC(=O)CCCC(=O)NC[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573383515 947892917 /nfs/dbraw/zinc/89/29/17/947892917.db2.gz UVGIITWNCLBDBD-INIZCTEOSA-N -1 3 386.456 0.943 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573647494 947896703 /nfs/dbraw/zinc/89/67/03/947896703.db2.gz MXYVICKJFXQEQG-LALPHHSUSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573647494 947896710 /nfs/dbraw/zinc/89/67/10/947896710.db2.gz MXYVICKJFXQEQG-LALPHHSUSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573647495 947897196 /nfs/dbraw/zinc/89/71/96/947897196.db2.gz MXYVICKJFXQEQG-TYNCELHUSA-N -1 3 382.428 0.834 20 0 GCADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573647495 947897204 /nfs/dbraw/zinc/89/72/04/947897204.db2.gz MXYVICKJFXQEQG-TYNCELHUSA-N -1 3 382.428 0.834 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573384527 947903830 /nfs/dbraw/zinc/90/38/30/947903830.db2.gz QKVZNWUGMVLLMS-IPYPFGDCSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573384527 947903838 /nfs/dbraw/zinc/90/38/38/947903838.db2.gz QKVZNWUGMVLLMS-IPYPFGDCSA-N -1 3 385.428 0.816 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573384529 947903853 /nfs/dbraw/zinc/90/38/53/947903853.db2.gz QOIWKVQKIQUGAE-OCCSQVGLSA-N -1 3 376.392 0.431 20 0 GCADHM CC(=O)CCCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573384529 947903861 /nfs/dbraw/zinc/90/38/61/947903861.db2.gz QOIWKVQKIQUGAE-OCCSQVGLSA-N -1 3 376.392 0.431 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)n1cncn1 ZINC001573647883 947904620 /nfs/dbraw/zinc/90/46/20/947904620.db2.gz UWTZEBFCRHGXQB-FPMFFAJLSA-N -1 3 380.416 0.009 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)n1cncn1 ZINC001573647883 947904631 /nfs/dbraw/zinc/90/46/31/947904631.db2.gz UWTZEBFCRHGXQB-FPMFFAJLSA-N -1 3 380.416 0.009 20 0 GCADHM CC(=O)N(C)CC(=O)N(CCN(C)c1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573388079 947914265 /nfs/dbraw/zinc/91/42/65/947914265.db2.gz HSEARMLVJMMBAV-UHFFFAOYSA-N -1 3 388.476 0.722 20 0 GCADHM CC(=O)N(C)CC(=O)N(CCN(C)c1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573388079 947914267 /nfs/dbraw/zinc/91/42/67/947914267.db2.gz HSEARMLVJMMBAV-UHFFFAOYSA-N -1 3 388.476 0.722 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1)n1cccn1 ZINC001573651451 947919817 /nfs/dbraw/zinc/91/98/17/947919817.db2.gz LXVXAVYOIJUMCV-MELADBBJSA-N -1 3 379.428 0.614 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1)n1cccn1 ZINC001573651451 947919820 /nfs/dbraw/zinc/91/98/20/947919820.db2.gz LXVXAVYOIJUMCV-MELADBBJSA-N -1 3 379.428 0.614 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1)n1cncn1 ZINC001573651649 947920705 /nfs/dbraw/zinc/92/07/05/947920705.db2.gz NUNWFWOILRPMDS-RWMBFGLXSA-N -1 3 380.416 0.009 20 0 GCADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1)n1cncn1 ZINC001573651649 947920718 /nfs/dbraw/zinc/92/07/18/947920718.db2.gz NUNWFWOILRPMDS-RWMBFGLXSA-N -1 3 380.416 0.009 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573389122 947924740 /nfs/dbraw/zinc/92/47/40/947924740.db2.gz QNPOGODJPMILLJ-GXFFZTMASA-N -1 3 390.423 0.386 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573389122 947924747 /nfs/dbraw/zinc/92/47/47/947924747.db2.gz QNPOGODJPMILLJ-GXFFZTMASA-N -1 3 390.423 0.386 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573389860 947925542 /nfs/dbraw/zinc/92/55/42/947925542.db2.gz UXJYGTJXPPAANK-GFCCVEGCSA-N -1 3 377.474 0.439 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573389860 947925548 /nfs/dbraw/zinc/92/55/48/947925548.db2.gz UXJYGTJXPPAANK-GFCCVEGCSA-N -1 3 377.474 0.439 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573390168 947927314 /nfs/dbraw/zinc/92/73/14/947927314.db2.gz WYOHQEHSDUOIKF-CQSZACIVSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573390168 947927319 /nfs/dbraw/zinc/92/73/19/947927319.db2.gz WYOHQEHSDUOIKF-CQSZACIVSA-N -1 3 390.423 0.528 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@H](CNc1nc(C)ccc1-c1nnn[n-]1)C1CC1 ZINC001573389959 947928210 /nfs/dbraw/zinc/92/82/10/947928210.db2.gz VOXLEKCCCWGSDC-OAHLLOKOSA-N -1 3 386.460 0.697 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)[C@H](CNc1nc(C)ccc1-c1nn[n-]n1)C1CC1 ZINC001573389959 947928216 /nfs/dbraw/zinc/92/82/16/947928216.db2.gz VOXLEKCCCWGSDC-OAHLLOKOSA-N -1 3 386.460 0.697 20 0 GCADHM Cc1cn2c(n1)CN(S(=O)(=O)Cc1cc(-c3nnn[n-]3)ccc1F)CC2 ZINC000826317254 947928557 /nfs/dbraw/zinc/92/85/57/947928557.db2.gz UVTLHOOZJNLLMI-UHFFFAOYSA-N -1 3 377.405 0.856 20 0 GCADHM Cc1cn2c(n1)CN(S(=O)(=O)Cc1cc(-c3nn[n-]n3)ccc1F)CC2 ZINC000826317254 947928564 /nfs/dbraw/zinc/92/85/64/947928564.db2.gz UVTLHOOZJNLLMI-UHFFFAOYSA-N -1 3 377.405 0.856 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573390593 947929388 /nfs/dbraw/zinc/92/93/88/947929388.db2.gz YPMZGOSKAMYZJN-TVQRCGJNSA-N -1 3 376.396 0.138 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573390593 947929396 /nfs/dbraw/zinc/92/93/96/947929396.db2.gz YPMZGOSKAMYZJN-TVQRCGJNSA-N -1 3 376.396 0.138 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573390647 947929860 /nfs/dbraw/zinc/92/98/60/947929860.db2.gz ZRGCOSDYANBJSC-UHFFFAOYSA-N -1 3 388.476 0.945 20 0 GCADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573390647 947929861 /nfs/dbraw/zinc/92/98/61/947929861.db2.gz ZRGCOSDYANBJSC-UHFFFAOYSA-N -1 3 388.476 0.945 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C[C@@H]1C ZINC001573390641 947930342 /nfs/dbraw/zinc/93/03/42/947930342.db2.gz ZQHPFPNQVDJWRH-JQWIXIFHSA-N -1 3 375.408 0.885 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C[C@@H]1C ZINC001573390641 947930351 /nfs/dbraw/zinc/93/03/51/947930351.db2.gz ZQHPFPNQVDJWRH-JQWIXIFHSA-N -1 3 375.408 0.885 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573391314 947934166 /nfs/dbraw/zinc/93/41/66/947934166.db2.gz GJGMRAXWVHABHP-CQSZACIVSA-N -1 3 386.460 0.557 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573391314 947934169 /nfs/dbraw/zinc/93/41/69/947934169.db2.gz GJGMRAXWVHABHP-CQSZACIVSA-N -1 3 386.460 0.557 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573391413 947934204 /nfs/dbraw/zinc/93/42/04/947934204.db2.gz HDRXPRKWUOYMKM-OAHLLOKOSA-N -1 3 386.460 0.557 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573391413 947934211 /nfs/dbraw/zinc/93/42/11/947934211.db2.gz HDRXPRKWUOYMKM-OAHLLOKOSA-N -1 3 386.460 0.557 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573391428 947935852 /nfs/dbraw/zinc/93/58/52/947935852.db2.gz HTASGGXQMHGHBR-AWEZNQCLSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573391428 947935859 /nfs/dbraw/zinc/93/58/59/947935859.db2.gz HTASGGXQMHGHBR-AWEZNQCLSA-N -1 3 386.460 0.476 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392169 947943075 /nfs/dbraw/zinc/94/30/75/947943075.db2.gz UTKNDJHOVJYPKS-OAHLLOKOSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCCCC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392169 947943079 /nfs/dbraw/zinc/94/30/79/947943079.db2.gz UTKNDJHOVJYPKS-OAHLLOKOSA-N -1 3 386.460 0.923 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573392195 947944125 /nfs/dbraw/zinc/94/41/25/947944125.db2.gz WAZVWSUMHGBMBL-GFCCVEGCSA-N -1 3 376.396 0.282 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573392195 947944131 /nfs/dbraw/zinc/94/41/31/947944131.db2.gz WAZVWSUMHGBMBL-GFCCVEGCSA-N -1 3 376.396 0.282 20 0 GCADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN[C@@H](C)c3ccccn3)CC2)o1 ZINC000826323247 947945860 /nfs/dbraw/zinc/94/58/60/947945860.db2.gz WLVVJMXSYHHSQA-LBPRGKRZSA-N -1 3 397.443 0.558 20 0 GCADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN[C@@H](C)c3ccccn3)CC2)o1 ZINC000826323247 947945865 /nfs/dbraw/zinc/94/58/65/947945865.db2.gz WLVVJMXSYHHSQA-LBPRGKRZSA-N -1 3 397.443 0.558 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2[C@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001573392455 947948079 /nfs/dbraw/zinc/94/80/79/947948079.db2.gz AYQJYMNCNJCQBD-HIFRSBDPSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H]2[C@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001573392455 947948083 /nfs/dbraw/zinc/94/80/83/947948083.db2.gz AYQJYMNCNJCQBD-HIFRSBDPSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001573392458 947949336 /nfs/dbraw/zinc/94/93/36/947949336.db2.gz AYQJYMNCNJCQBD-UKRRQHHQSA-N -1 3 384.444 0.167 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H]2[C@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001573392458 947949343 /nfs/dbraw/zinc/94/93/43/947949343.db2.gz AYQJYMNCNJCQBD-UKRRQHHQSA-N -1 3 384.444 0.167 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)CC2)[nH]1 ZINC000826325543 947950709 /nfs/dbraw/zinc/95/07/09/947950709.db2.gz BIBRFJUMSINLHC-UHFFFAOYSA-N -1 3 386.395 0.782 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)CC2)[nH]1 ZINC000826325543 947950715 /nfs/dbraw/zinc/95/07/15/947950715.db2.gz BIBRFJUMSINLHC-UHFFFAOYSA-N -1 3 386.395 0.782 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573392851 947952536 /nfs/dbraw/zinc/95/25/36/947952536.db2.gz GQOAUNHFPDOWSD-UHFFFAOYSA-N -1 3 392.489 0.760 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CCNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573393012 947952950 /nfs/dbraw/zinc/95/29/50/947952950.db2.gz IDRFSKHBOHQLEE-LBPRGKRZSA-N -1 3 390.423 0.530 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](CCNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573393012 947952959 /nfs/dbraw/zinc/95/29/59/947952959.db2.gz IDRFSKHBOHQLEE-LBPRGKRZSA-N -1 3 390.423 0.530 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CNc2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573393120 947954336 /nfs/dbraw/zinc/95/43/36/947954336.db2.gz JQSSBZLZGBTRED-UHFFFAOYSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC(CNc2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573393120 947954343 /nfs/dbraw/zinc/95/43/43/947954343.db2.gz JQSSBZLZGBTRED-UHFFFAOYSA-N -1 3 386.460 0.699 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@@H]1C ZINC001573393038 947954802 /nfs/dbraw/zinc/95/48/02/947954802.db2.gz IRAWHABYYFGRFR-TVQRCGJNSA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@@H]1C ZINC001573393038 947954806 /nfs/dbraw/zinc/95/48/06/947954806.db2.gz IRAWHABYYFGRFR-TVQRCGJNSA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)[C@H]1C ZINC001573393037 947954991 /nfs/dbraw/zinc/95/49/91/947954991.db2.gz IRAWHABYYFGRFR-RNCFNFMXSA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)[C@H]1C ZINC001573393037 947954997 /nfs/dbraw/zinc/95/49/97/947954997.db2.gz IRAWHABYYFGRFR-RNCFNFMXSA-N -1 3 376.396 0.280 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573393411 947956086 /nfs/dbraw/zinc/95/60/86/947956086.db2.gz LQZOHMMJIANDLK-ZWNOBZJWSA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573393411 947956092 /nfs/dbraw/zinc/95/60/92/947956092.db2.gz LQZOHMMJIANDLK-ZWNOBZJWSA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CN(C)c2ncccc2-c2nnn[n-]2)C1 ZINC001573393561 947958113 /nfs/dbraw/zinc/95/81/13/947958113.db2.gz NJOKWMGDGHQOST-CQSZACIVSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CN(C)c2ncccc2-c2nn[n-]n2)C1 ZINC001573393561 947958118 /nfs/dbraw/zinc/95/81/18/947958118.db2.gz NJOKWMGDGHQOST-CQSZACIVSA-N -1 3 386.460 0.415 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573393717 947960682 /nfs/dbraw/zinc/96/06/82/947960682.db2.gz PIVOPAFOWXBOGF-BETUJISGSA-N -1 3 389.485 0.582 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[n-]n2)s1 ZINC001573393717 947960692 /nfs/dbraw/zinc/96/06/92/947960692.db2.gz PIVOPAFOWXBOGF-BETUJISGSA-N -1 3 389.485 0.582 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573393918 947961285 /nfs/dbraw/zinc/96/12/85/947961285.db2.gz QRBZNYVDKFPYBS-TZMCWYRMSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573393918 947961293 /nfs/dbraw/zinc/96/12/93/947961293.db2.gz QRBZNYVDKFPYBS-TZMCWYRMSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573653957 947962011 /nfs/dbraw/zinc/96/20/11/947962011.db2.gz OQTNJXHCJXRCMP-NSHDSACASA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573654704 947969495 /nfs/dbraw/zinc/96/94/95/947969495.db2.gz SWKVGKOORGXQCR-WXHSDQCUSA-N -1 3 386.460 0.397 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573654704 947969502 /nfs/dbraw/zinc/96/95/02/947969502.db2.gz SWKVGKOORGXQCR-WXHSDQCUSA-N -1 3 386.460 0.397 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573654692 947970482 /nfs/dbraw/zinc/97/04/82/947970482.db2.gz STYMREBRKIGEAO-CABZTGNLSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573654692 947970487 /nfs/dbraw/zinc/97/04/87/947970487.db2.gz STYMREBRKIGEAO-CABZTGNLSA-N -1 3 379.446 0.002 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573395620 947970623 /nfs/dbraw/zinc/97/06/23/947970623.db2.gz ZHADZLWPZFTQSW-GFCCVEGCSA-N -1 3 375.408 0.521 20 0 GCADHM CC(=O)N(C)CC(=O)N1CC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573395620 947970626 /nfs/dbraw/zinc/97/06/26/947970626.db2.gz ZHADZLWPZFTQSW-GFCCVEGCSA-N -1 3 375.408 0.521 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2C1 ZINC001573397784 947973637 /nfs/dbraw/zinc/97/36/37/947973637.db2.gz DEGMVQISEWWURR-TXEJJXNPSA-N -1 3 390.473 0.005 20 0 GCADHM C[C@H](C(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccc1 ZINC001573655215 947974576 /nfs/dbraw/zinc/97/45/76/947974576.db2.gz WLUPVHDCDFQEKY-IAQYHMDHSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccc1 ZINC001573655215 947974584 /nfs/dbraw/zinc/97/45/84/947974584.db2.gz WLUPVHDCDFQEKY-IAQYHMDHSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573655096 947974998 /nfs/dbraw/zinc/97/49/98/947974998.db2.gz VNTDYVFFUQSBKP-LBPRGKRZSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573655451 947976947 /nfs/dbraw/zinc/97/69/47/947976947.db2.gz XMOWKXVVFIGTTB-DGCLKSJQSA-N -1 3 388.476 0.692 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573655420 947977130 /nfs/dbraw/zinc/97/71/30/947977130.db2.gz XHBUFYKZJGOYTJ-YPMHNXCESA-N -1 3 388.476 0.644 20 0 GCADHM C[C@H](C(=O)NC(C)(C)C)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573655420 947977136 /nfs/dbraw/zinc/97/71/36/947977136.db2.gz XHBUFYKZJGOYTJ-YPMHNXCESA-N -1 3 388.476 0.644 20 0 GCADHM Cc1noc([C@@H]2COCCN2S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826339849 947977434 /nfs/dbraw/zinc/97/74/34/947977434.db2.gz WUFMZEWSSXZLEG-ZDUSSCGKSA-N -1 3 391.413 0.461 20 0 GCADHM Cc1noc([C@@H]2COCCN2S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826339849 947977438 /nfs/dbraw/zinc/97/74/38/947977438.db2.gz WUFMZEWSSXZLEG-ZDUSSCGKSA-N -1 3 391.413 0.461 20 0 GCADHM Cc1noc([C@H]2COCCN2S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000826339709 947977536 /nfs/dbraw/zinc/97/75/36/947977536.db2.gz PQLHYNXSSSGFNP-GFCCVEGCSA-N -1 3 395.376 0.459 20 0 GCADHM CC(=O)N(C)CC(=O)N1C[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573398328 947980628 /nfs/dbraw/zinc/98/06/28/947980628.db2.gz JLKHTADFIOMAFE-TZMCWYRMSA-N -1 3 389.485 0.439 20 0 GCADHM C[C@@H](C(=O)NC(C)(C)C)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573655798 947982453 /nfs/dbraw/zinc/98/24/53/947982453.db2.gz YYYSOFIGYISTAD-NSHDSACASA-N -1 3 388.476 0.692 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@@H]1N(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573398541 947982680 /nfs/dbraw/zinc/98/26/80/947982680.db2.gz MLTOFNYAEXYVDN-KBXCAEBGSA-N -1 3 384.444 0.358 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@]12CCC[C@@H]1N(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573398541 947982686 /nfs/dbraw/zinc/98/26/86/947982686.db2.gz MLTOFNYAEXYVDN-KBXCAEBGSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H](C(=O)N[C@]1(C)CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573655968 947984707 /nfs/dbraw/zinc/98/47/07/947984707.db2.gz AJKIXBDOUFPKEB-YVEFUNNKSA-N -1 3 392.485 0.380 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C12CCC2 ZINC001573398711 947986829 /nfs/dbraw/zinc/98/68/29/947986829.db2.gz OUYGISWDUMFHBU-KGLIPLIRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C12CCC2 ZINC001573398711 947986833 /nfs/dbraw/zinc/98/68/33/947986833.db2.gz OUYGISWDUMFHBU-KGLIPLIRSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)CCCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573399211 947990904 /nfs/dbraw/zinc/99/09/04/947990904.db2.gz SZVXDJAMTYWQGV-LLVKDONJSA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H](C)CCCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573399211 947990910 /nfs/dbraw/zinc/99/09/10/947990910.db2.gz SZVXDJAMTYWQGV-LLVKDONJSA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573399819 947994538 /nfs/dbraw/zinc/99/45/38/947994538.db2.gz YVYJAYYSOLKZHW-HNNXBMFYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573399819 947994544 /nfs/dbraw/zinc/99/45/44/947994544.db2.gz YVYJAYYSOLKZHW-HNNXBMFYSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@](C)(CNc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573399808 947994887 /nfs/dbraw/zinc/99/48/87/947994887.db2.gz YSNHRHXGHMGSSX-QGZVFWFLSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@](C)(CNc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573399808 947994894 /nfs/dbraw/zinc/99/48/94/947994894.db2.gz YSNHRHXGHMGSSX-QGZVFWFLSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC1)n1cncn1 ZINC001573657020 947996047 /nfs/dbraw/zinc/99/60/47/947996047.db2.gz JPNMBWFSIRPFPK-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM C[C@@H](C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC1)n1cncn1 ZINC001573657020 947996052 /nfs/dbraw/zinc/99/60/52/947996052.db2.gz JPNMBWFSIRPFPK-LBPRGKRZSA-N -1 3 382.432 0.955 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573401788 947997906 /nfs/dbraw/zinc/99/79/06/947997906.db2.gz CQWNKLWAYNJCCP-SMDDNHRTSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573401788 947997912 /nfs/dbraw/zinc/99/79/12/947997912.db2.gz CQWNKLWAYNJCCP-SMDDNHRTSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573657126 947998686 /nfs/dbraw/zinc/99/86/86/947998686.db2.gz LCKUCZQELQXAGY-XIKOKIGWSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573657126 947998690 /nfs/dbraw/zinc/99/86/90/947998690.db2.gz LCKUCZQELQXAGY-XIKOKIGWSA-N -1 3 381.444 0.884 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573401821 948000427 /nfs/dbraw/zinc/00/04/27/948000427.db2.gz DASLQOORRGXHJW-VIFPVBQESA-N -1 3 380.840 0.334 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573401821 948000435 /nfs/dbraw/zinc/00/04/35/948000435.db2.gz DASLQOORRGXHJW-VIFPVBQESA-N -1 3 380.840 0.334 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573401849 948000857 /nfs/dbraw/zinc/00/08/57/948000857.db2.gz DPICQKJBEYZYEO-CQSZACIVSA-N -1 3 389.435 0.815 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001573401849 948000866 /nfs/dbraw/zinc/00/08/66/948000866.db2.gz DPICQKJBEYZYEO-CQSZACIVSA-N -1 3 389.435 0.815 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573401869 948000974 /nfs/dbraw/zinc/00/09/74/948000974.db2.gz DVWQJRAHRBXOAQ-UHFFFAOYSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N(C)CC(=O)NC1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573401869 948000982 /nfs/dbraw/zinc/00/09/82/948000982.db2.gz DVWQJRAHRBXOAQ-UHFFFAOYSA-N -1 3 375.408 0.569 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001573657688 948002592 /nfs/dbraw/zinc/00/25/92/948002592.db2.gz OOINVXQPGKWSNY-GTNSWQLSSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001573657688 948002604 /nfs/dbraw/zinc/00/26/04/948002604.db2.gz OOINVXQPGKWSNY-GTNSWQLSSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001573402766 948004815 /nfs/dbraw/zinc/00/48/15/948004815.db2.gz HXDVSFKQMJTBOS-CQSZACIVSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001573402766 948004824 /nfs/dbraw/zinc/00/48/24/948004824.db2.gz HXDVSFKQMJTBOS-CQSZACIVSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(C)CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573658619 948009091 /nfs/dbraw/zinc/00/90/91/948009091.db2.gz SOSFOPVSVLSXCW-SJCJKPOMSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)c1ccnn1C ZINC001573658901 948012672 /nfs/dbraw/zinc/01/26/72/948012672.db2.gz UESXMMHWHZUDBZ-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)c1ccnn1C ZINC001573658901 948012685 /nfs/dbraw/zinc/01/26/85/948012685.db2.gz UESXMMHWHZUDBZ-JTQLQIEISA-N -1 3 383.416 0.111 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573403696 948012984 /nfs/dbraw/zinc/01/29/84/948012984.db2.gz NKYQKQWGBVXYGR-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573403696 948012986 /nfs/dbraw/zinc/01/29/86/948012986.db2.gz NKYQKQWGBVXYGR-TZMCWYRMSA-N -1 3 386.460 0.522 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573403816 948014395 /nfs/dbraw/zinc/01/43/95/948014395.db2.gz OPLVRMMWSIUHQS-DZGCQCFKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573403816 948014404 /nfs/dbraw/zinc/01/44/04/948014404.db2.gz OPLVRMMWSIUHQS-DZGCQCFKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573404122 948015405 /nfs/dbraw/zinc/01/54/05/948015405.db2.gz QBVBGYVHIFAVPY-OLZOCXBDSA-N -1 3 390.423 0.718 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573404122 948015413 /nfs/dbraw/zinc/01/54/13/948015413.db2.gz QBVBGYVHIFAVPY-OLZOCXBDSA-N -1 3 390.423 0.718 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)c1cnn(C)c1 ZINC001573660044 948017392 /nfs/dbraw/zinc/01/73/92/948017392.db2.gz XFJFBFACAOJHTD-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM C[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)c1cnn(C)c1 ZINC001573660044 948017399 /nfs/dbraw/zinc/01/73/99/948017399.db2.gz XFJFBFACAOJHTD-SNVBAGLBSA-N -1 3 383.416 0.111 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001573404180 948018141 /nfs/dbraw/zinc/01/81/41/948018141.db2.gz RHSFZEXLPHCMJU-UKRRQHHQSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001573404180 948018147 /nfs/dbraw/zinc/01/81/47/948018147.db2.gz RHSFZEXLPHCMJU-UKRRQHHQSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](Nc1snc(C)c1-c1nnn[n-]1)C1CC1 ZINC001573404321 948021323 /nfs/dbraw/zinc/02/13/23/948021323.db2.gz RXBLXJZHCKMBTM-LLVKDONJSA-N -1 3 378.462 0.417 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573404324 948022610 /nfs/dbraw/zinc/02/26/10/948022610.db2.gz RXGYJKHSEYYKRZ-CQSZACIVSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573404324 948022619 /nfs/dbraw/zinc/02/26/19/948022619.db2.gz RXGYJKHSEYYKRZ-CQSZACIVSA-N -1 3 375.408 0.791 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573404476 948023376 /nfs/dbraw/zinc/02/33/76/948023376.db2.gz FVZRYQKLYVYDOB-GFCCVEGCSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573404476 948023388 /nfs/dbraw/zinc/02/33/88/948023388.db2.gz FVZRYQKLYVYDOB-GFCCVEGCSA-N -1 3 375.408 0.569 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001573662041 948023448 /nfs/dbraw/zinc/02/34/48/948023448.db2.gz BAGWOSAQXNMODL-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001573662041 948023460 /nfs/dbraw/zinc/02/34/60/948023460.db2.gz BAGWOSAQXNMODL-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001573663100 948032981 /nfs/dbraw/zinc/03/29/81/948032981.db2.gz IVADZAIZRFSHLN-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001573663100 948032990 /nfs/dbraw/zinc/03/29/90/948032990.db2.gz IVADZAIZRFSHLN-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573663211 948033975 /nfs/dbraw/zinc/03/39/75/948033975.db2.gz KGTDRZAVEUSJSX-FIXISWKDSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001573663323 948034895 /nfs/dbraw/zinc/03/48/95/948034895.db2.gz LILIYBCQRZCTJV-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)N[C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001573663323 948034904 /nfs/dbraw/zinc/03/49/04/948034904.db2.gz LILIYBCQRZCTJV-ZMZPIMSZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573404965 948034884 /nfs/dbraw/zinc/03/48/84/948034884.db2.gz MGURUDKVHLQVQA-UHFFFAOYSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573404965 948034894 /nfs/dbraw/zinc/03/48/94/948034894.db2.gz MGURUDKVHLQVQA-UHFFFAOYSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573404920 948035794 /nfs/dbraw/zinc/03/57/94/948035794.db2.gz KOPGKRBIUKRBGL-GFCCVEGCSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573404920 948035803 /nfs/dbraw/zinc/03/58/03/948035803.db2.gz KOPGKRBIUKRBGL-GFCCVEGCSA-N -1 3 390.423 0.212 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573405146 948038023 /nfs/dbraw/zinc/03/80/23/948038023.db2.gz YZDNNIRPWREHHP-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573405146 948038032 /nfs/dbraw/zinc/03/80/32/948038032.db2.gz YZDNNIRPWREHHP-AWEZNQCLSA-N -1 3 386.460 0.524 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2nc(C)ccc2-c2nnn[n-]2)CCCC1 ZINC001573405245 948040438 /nfs/dbraw/zinc/04/04/38/948040438.db2.gz NKSXVTBNFOLOHX-UHFFFAOYSA-N -1 3 386.460 0.889 20 0 GCADHM CC(=O)N(C)CC(=O)NCC1(Nc2nc(C)ccc2-c2nn[n-]n2)CCCC1 ZINC001573405245 948040448 /nfs/dbraw/zinc/04/04/48/948040448.db2.gz NKSXVTBNFOLOHX-UHFFFAOYSA-N -1 3 386.460 0.889 20 0 GCADHM Cc1onc(CC(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000826346464 948040969 /nfs/dbraw/zinc/04/09/69/948040969.db2.gz NGGNDGKLKRSESW-PHIMTYICSA-N -1 3 377.449 0.710 20 0 GCADHM Cc1onc(CC(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826346464 948040978 /nfs/dbraw/zinc/04/09/78/948040978.db2.gz NGGNDGKLKRSESW-PHIMTYICSA-N -1 3 377.449 0.710 20 0 GCADHM CC(=O)N(C)CC(=O)NCCN(c1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573405356 948041386 /nfs/dbraw/zinc/04/13/86/948041386.db2.gz PVAKJOYSNYXQKA-UHFFFAOYSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N(C)CC(=O)NCCN(c1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573405356 948041394 /nfs/dbraw/zinc/04/13/94/948041394.db2.gz PVAKJOYSNYXQKA-UHFFFAOYSA-N -1 3 375.408 0.569 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1ncccc1-c1nnn[n-]1 ZINC001573405439 948043206 /nfs/dbraw/zinc/04/32/06/948043206.db2.gz QITARHMTUPEZDL-AWEZNQCLSA-N -1 3 386.460 0.605 20 0 GCADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCCN1c1ncccc1-c1nn[n-]n1 ZINC001573405439 948043219 /nfs/dbraw/zinc/04/32/19/948043219.db2.gz QITARHMTUPEZDL-AWEZNQCLSA-N -1 3 386.460 0.605 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573664186 948050904 /nfs/dbraw/zinc/05/09/04/948050904.db2.gz CNITXGJZBHHLFW-DGCLKSJQSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573664186 948050913 /nfs/dbraw/zinc/05/09/13/948050913.db2.gz CNITXGJZBHHLFW-DGCLKSJQSA-N -1 3 385.407 0.944 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573406559 948053794 /nfs/dbraw/zinc/05/37/94/948053794.db2.gz KTSPIHZQKWCUBV-CTYIDZIISA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573406559 948053803 /nfs/dbraw/zinc/05/38/03/948053803.db2.gz KTSPIHZQKWCUBV-CTYIDZIISA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)[C@@H]1C ZINC001573406601 948055829 /nfs/dbraw/zinc/05/58/29/948055829.db2.gz NKVDCOXILGYSBA-MFKMUULPSA-N -1 3 375.408 0.568 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)[C@@H]1C ZINC001573406601 948055841 /nfs/dbraw/zinc/05/58/41/948055841.db2.gz NKVDCOXILGYSBA-MFKMUULPSA-N -1 3 375.408 0.568 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nnn[n-]1 ZINC001573408141 948063032 /nfs/dbraw/zinc/06/30/32/948063032.db2.gz CFPQBLQXKFZDNK-SNPRPXQTSA-N -1 3 384.444 0.274 20 0 GCADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1-c1nn[n-]n1 ZINC001573408141 948063045 /nfs/dbraw/zinc/06/30/45/948063045.db2.gz CFPQBLQXKFZDNK-SNPRPXQTSA-N -1 3 384.444 0.274 20 0 GCADHM Cc1onc(CC(=O)NCc2ccnc(N3CCN(C)CC3)c2)c1-c1nnn[n-]1 ZINC000826347931 948063641 /nfs/dbraw/zinc/06/36/41/948063641.db2.gz MIBFOAHAHORFQC-UHFFFAOYSA-N -1 3 397.443 0.169 20 0 GCADHM Cc1onc(CC(=O)NCc2cccc(CN3CCOCC3)c2)c1-c1nnn[n-]1 ZINC000826348168 948067432 /nfs/dbraw/zinc/06/74/32/948067432.db2.gz XZSJGPQNJCSPAB-UHFFFAOYSA-N -1 3 397.439 0.854 20 0 GCADHM Cc1onc(CC(=O)NCc2cccc(CN3CCOCC3)c2)c1-c1nn[n-]n1 ZINC000826348168 948067443 /nfs/dbraw/zinc/06/74/43/948067443.db2.gz XZSJGPQNJCSPAB-UHFFFAOYSA-N -1 3 397.439 0.854 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573408490 948068112 /nfs/dbraw/zinc/06/81/12/948068112.db2.gz HQRPVGSTEZSSBN-LLVKDONJSA-N -1 3 390.448 0.078 20 0 GCADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573408490 948068121 /nfs/dbraw/zinc/06/81/21/948068121.db2.gz HQRPVGSTEZSSBN-LLVKDONJSA-N -1 3 390.448 0.078 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573665438 948072397 /nfs/dbraw/zinc/07/23/97/948072397.db2.gz KURNOODIMRIBIR-AAEUAGOBSA-N -1 3 386.460 0.446 20 0 GCADHM C[C@@H](C(=O)NC1CCCC1)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573665438 948072408 /nfs/dbraw/zinc/07/24/08/948072408.db2.gz KURNOODIMRIBIR-AAEUAGOBSA-N -1 3 386.460 0.446 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](Nc3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001573413796 948085811 /nfs/dbraw/zinc/08/58/11/948085811.db2.gz GMCIPWPXNMBQKX-ZDUSSCGKSA-N -1 3 387.419 0.887 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCC[C@H](Nc3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001573413796 948085821 /nfs/dbraw/zinc/08/58/21/948085821.db2.gz GMCIPWPXNMBQKX-ZDUSSCGKSA-N -1 3 387.419 0.887 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC001573413807 948086675 /nfs/dbraw/zinc/08/66/75/948086675.db2.gz GRRGGKGCNQJDPC-UHFFFAOYSA-N -1 3 387.419 0.128 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC001573413807 948086681 /nfs/dbraw/zinc/08/66/81/948086681.db2.gz GRRGGKGCNQJDPC-UHFFFAOYSA-N -1 3 387.419 0.128 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3snc(C)c3-c3nnn[n-]3)[C@@H]2C)C1 ZINC001573413791 948086942 /nfs/dbraw/zinc/08/69/42/948086942.db2.gz GDZVFNZMLAXVBT-JOYOIKCWSA-N -1 3 390.473 0.511 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCN(Cc3cc(-c4nnn[n-]4)ccc3F)CC2)C1 ZINC001573413956 948089167 /nfs/dbraw/zinc/08/91/67/948089167.db2.gz HLKHDXTXQJODTJ-UHFFFAOYSA-N -1 3 387.419 0.128 20 0 GCADHM CC(=O)N1CC(C(=O)N2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)CC2)C1 ZINC001573413956 948089179 /nfs/dbraw/zinc/08/91/79/948089179.db2.gz HLKHDXTXQJODTJ-UHFFFAOYSA-N -1 3 387.419 0.128 20 0 GCADHM CC(=O)N1CC(C(=O)N(C)CCN(C)Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573414151 948089987 /nfs/dbraw/zinc/08/99/87/948089987.db2.gz HVRUJLPHTATHNT-UHFFFAOYSA-N -1 3 389.435 0.374 20 0 GCADHM CC(=O)N(CC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2)c1ccccc1 ZINC001573414191 948090211 /nfs/dbraw/zinc/09/02/11/948090211.db2.gz ILLVLPMHPYZZOT-UHFFFAOYSA-N -1 3 382.384 0.585 20 0 GCADHM CC(=O)N(CC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2)c1ccccc1 ZINC001573414191 948090218 /nfs/dbraw/zinc/09/02/18/948090218.db2.gz ILLVLPMHPYZZOT-UHFFFAOYSA-N -1 3 382.384 0.585 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573666851 948091287 /nfs/dbraw/zinc/09/12/87/948091287.db2.gz WUNNIOBDNCBODW-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573666851 948091295 /nfs/dbraw/zinc/09/12/95/948091295.db2.gz WUNNIOBDNCBODW-YPMHNXCESA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N(C)c1ccc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)cc1 ZINC001573414242 948092941 /nfs/dbraw/zinc/09/29/41/948092941.db2.gz JCQRRZINXYJEJI-UHFFFAOYSA-N -1 3 387.425 0.723 20 0 GCADHM CC(=O)N(C)c1ccc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)cc1 ZINC001573414242 948092945 /nfs/dbraw/zinc/09/29/45/948092945.db2.gz JCQRRZINXYJEJI-UHFFFAOYSA-N -1 3 387.425 0.723 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CN(C)c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573414474 948095767 /nfs/dbraw/zinc/09/57/67/948095767.db2.gz MUGPIIDTSNOAPI-CYBMUJFWSA-N -1 3 384.444 0.025 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](CN(C)c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573414474 948095781 /nfs/dbraw/zinc/09/57/81/948095781.db2.gz MUGPIIDTSNOAPI-CYBMUJFWSA-N -1 3 384.444 0.025 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001573667141 948095786 /nfs/dbraw/zinc/09/57/86/948095786.db2.gz YFWBTXNSIDJVKD-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001573667141 948095796 /nfs/dbraw/zinc/09/57/96/948095796.db2.gz YFWBTXNSIDJVKD-NWDGAFQWSA-N -1 3 383.416 0.373 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C[C@@H]2C)C1 ZINC001573414544 948095962 /nfs/dbraw/zinc/09/59/62/948095962.db2.gz OBEURVRPFRMLTQ-FZMZJTMJSA-N -1 3 384.444 0.531 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C[C@@H]2C)C1 ZINC001573414544 948095972 /nfs/dbraw/zinc/09/59/72/948095972.db2.gz OBEURVRPFRMLTQ-FZMZJTMJSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573667163 948096509 /nfs/dbraw/zinc/09/65/09/948096509.db2.gz YMPFKCGFAPCTIH-TZMCWYRMSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573667163 948096518 /nfs/dbraw/zinc/09/65/18/948096518.db2.gz YMPFKCGFAPCTIH-TZMCWYRMSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001573667476 948100514 /nfs/dbraw/zinc/10/05/14/948100514.db2.gz ZZAJYZPROFUSHO-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCCO1 ZINC001573667476 948100519 /nfs/dbraw/zinc/10/05/19/948100519.db2.gz ZZAJYZPROFUSHO-IAQYHMDHSA-N -1 3 387.444 0.731 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@](C)(CNc3ncccc3-c3nnn[n-]3)C2)C1 ZINC001573415144 948102409 /nfs/dbraw/zinc/10/24/09/948102409.db2.gz UICLTGALFHNALC-SFHVURJKSA-N -1 3 384.444 0.391 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@](C)(CNc3ncccc3-c3nn[n-]n3)C2)C1 ZINC001573415144 948102420 /nfs/dbraw/zinc/10/24/20/948102420.db2.gz UICLTGALFHNALC-SFHVURJKSA-N -1 3 384.444 0.391 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573670640 948103597 /nfs/dbraw/zinc/10/35/97/948103597.db2.gz CPCLHUSICIDXIS-WCQYABFASA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573670640 948103604 /nfs/dbraw/zinc/10/36/04/948103604.db2.gz CPCLHUSICIDXIS-WCQYABFASA-N -1 3 385.407 0.549 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)[C@H]2C)C1 ZINC001573415312 948105511 /nfs/dbraw/zinc/10/55/11/948105511.db2.gz WZOFVNBOZLXDJM-YMTOWFKASA-N -1 3 388.407 0.280 20 0 GCADHM CC(=O)N1CC(C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)[C@H]2C)C1 ZINC001573415312 948105516 /nfs/dbraw/zinc/10/55/16/948105516.db2.gz WZOFVNBOZLXDJM-YMTOWFKASA-N -1 3 388.407 0.280 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826354945 948106195 /nfs/dbraw/zinc/10/61/95/948106195.db2.gz CRLNODACQRSANX-HNNXBMFYSA-N -1 3 394.391 0.918 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826354945 948106200 /nfs/dbraw/zinc/10/62/00/948106200.db2.gz CRLNODACQRSANX-HNNXBMFYSA-N -1 3 394.391 0.918 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)n1cncn1 ZINC001573671355 948106487 /nfs/dbraw/zinc/10/64/87/948106487.db2.gz FFYYOXTZJJVWHD-GXSJLCMTSA-N -1 3 388.823 0.463 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)n1cncn1 ZINC001573671355 948106492 /nfs/dbraw/zinc/10/64/92/948106492.db2.gz FFYYOXTZJJVWHD-GXSJLCMTSA-N -1 3 388.823 0.463 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC001573671382 948108025 /nfs/dbraw/zinc/10/80/25/948108025.db2.gz FTPZVKBNMIJTBR-LBPRGKRZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC001573671382 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CC(=O)N1CC(C(=O)N[C@H](C)CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573427235 948164072 /nfs/dbraw/zinc/16/40/72/948164072.db2.gz VKZQKJOOQQWRAP-MRVPVSSYSA-N -1 3 378.824 0.310 20 0 GCADHM C[C@H](C(=O)N[C@H]1COC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1)C1CC1 ZINC001573679873 948167517 /nfs/dbraw/zinc/16/75/17/948167517.db2.gz NAOCWUIAXVHWQC-GXFFZTMASA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N[C@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1)C1CC1 ZINC001573679873 948167522 /nfs/dbraw/zinc/16/75/22/948167522.db2.gz NAOCWUIAXVHWQC-GXFFZTMASA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1)C1CC1 ZINC001573679870 948168170 /nfs/dbraw/zinc/16/81/70/948168170.db2.gz NAOCWUIAXVHWQC-GWCFXTLKSA-N -1 3 385.428 0.341 20 0 GCADHM C[C@H](C(=O)N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1)C1CC1 ZINC001573679870 948168174 /nfs/dbraw/zinc/16/81/74/948168174.db2.gz NAOCWUIAXVHWQC-GWCFXTLKSA-N -1 3 385.428 0.341 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)nc3)CC2)CC1 ZINC001573430074 948174366 /nfs/dbraw/zinc/17/43/66/948174366.db2.gz NABPWGVYJBHJKL-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CCC(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)nc3)CC2)CC1 ZINC001573430074 948174376 /nfs/dbraw/zinc/17/43/76/948174376.db2.gz NABPWGVYJBHJKL-UHFFFAOYSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CCC(C(=O)N(C)CCNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573430073 948174963 /nfs/dbraw/zinc/17/49/63/948174963.db2.gz MZYINUHUCCQBJH-UHFFFAOYSA-N -1 3 392.489 0.760 20 0 GCADHM CC(=O)N1CCC(C(=O)NCCCNc2snc(C)c2-c2nnn[n-]2)CC1 ZINC001573430126 948176057 /nfs/dbraw/zinc/17/60/57/948176057.db2.gz ONYYHGJNDYDYCM-UHFFFAOYSA-N -1 3 392.489 0.808 20 0 GCADHM CC(=O)N1CCC(C(=O)NC/C=C/CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573430143 948176387 /nfs/dbraw/zinc/17/63/87/948176387.db2.gz OUEWTIAUDZTOHD-NSCUHMNNSA-N -1 3 384.444 0.605 20 0 GCADHM CC(=O)N1CCC(C(=O)NC/C=C/CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573430143 948176391 /nfs/dbraw/zinc/17/63/91/948176391.db2.gz OUEWTIAUDZTOHD-NSCUHMNNSA-N -1 3 384.444 0.605 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573430622 948177584 /nfs/dbraw/zinc/17/75/84/948177584.db2.gz RUEBPRDXTOZIPS-SNVBAGLBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@H](C)CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573430622 948177586 /nfs/dbraw/zinc/17/75/86/948177586.db2.gz RUEBPRDXTOZIPS-SNVBAGLBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CCNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573431260 948179334 /nfs/dbraw/zinc/17/93/34/948179334.db2.gz VQDRQIVZBNEXTQ-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CCNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573431260 948179342 /nfs/dbraw/zinc/17/93/42/948179342.db2.gz VQDRQIVZBNEXTQ-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CCC(C(=O)NCCN(C)c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573431626 948180917 /nfs/dbraw/zinc/18/09/17/948180917.db2.gz XSPXXNGQMAZINT-UHFFFAOYSA-N -1 3 390.423 0.212 20 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ZINC001573432072 948184654 /nfs/dbraw/zinc/18/46/54/948184654.db2.gz CQUHOYNZZWJCHR-XIKOKIGWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573432072 948184658 /nfs/dbraw/zinc/18/46/58/948184658.db2.gz CQUHOYNZZWJCHR-XIKOKIGWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001573432124 948185732 /nfs/dbraw/zinc/18/57/32/948185732.db2.gz DVMZHHQJZBZJCT-KPZWWZAWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001573432124 948185739 /nfs/dbraw/zinc/18/57/39/948185739.db2.gz DVMZHHQJZBZJCT-KPZWWZAWSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573432437 948186858 /nfs/dbraw/zinc/18/68/58/948186858.db2.gz FQFVFWJDGQWDSD-KZULUSFZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC[C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573432437 948186862 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20 0 GCADHM NC(=O)CSCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826391243 948198560 /nfs/dbraw/zinc/19/85/60/948198560.db2.gz CDVNJTJPXBDOPM-UHFFFAOYSA-N -1 3 392.832 0.863 20 0 GCADHM NC(=O)CSCC(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826391243 948198565 /nfs/dbraw/zinc/19/85/65/948198565.db2.gz CDVNJTJPXBDOPM-UHFFFAOYSA-N -1 3 392.832 0.863 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573681238 948199811 /nfs/dbraw/zinc/19/98/11/948199811.db2.gz VTJUCARPNSLWRU-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573681238 948199817 /nfs/dbraw/zinc/19/98/17/948199817.db2.gz VTJUCARPNSLWRU-MNOVXSKESA-N -1 3 385.432 0.309 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573433454 948200915 /nfs/dbraw/zinc/20/09/15/948200915.db2.gz LZVCORHIVJFURL-HBUWYVDXSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573433454 948200922 /nfs/dbraw/zinc/20/09/22/948200922.db2.gz LZVCORHIVJFURL-HBUWYVDXSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573433449 948201702 /nfs/dbraw/zinc/20/17/02/948201702.db2.gz LSNSRZLWPAXMBO-GOSISDBHSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573433449 948201708 /nfs/dbraw/zinc/20/17/08/948201708.db2.gz LSNSRZLWPAXMBO-GOSISDBHSA-N -1 3 386.460 0.381 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccsc1 ZINC001573681611 948209070 /nfs/dbraw/zinc/20/90/70/948209070.db2.gz YBIBCJNREMJYBC-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccsc1 ZINC001573681611 948209080 /nfs/dbraw/zinc/20/90/80/948209080.db2.gz YBIBCJNREMJYBC-KOLCDFICSA-N -1 3 389.441 0.267 20 0 GCADHM 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ZINC001573681748 948211822 /nfs/dbraw/zinc/21/18/22/948211822.db2.gz XKEMZVCIXOTLRB-MFKMUULPSA-N -1 3 386.391 0.489 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573434274 948212199 /nfs/dbraw/zinc/21/21/99/948212199.db2.gz PQCNSCKAHAITFW-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573434274 948212213 /nfs/dbraw/zinc/21/22/13/948212213.db2.gz PQCNSCKAHAITFW-KZULUSFZSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573434300 948213676 /nfs/dbraw/zinc/21/36/76/948213676.db2.gz PYYVFQUTTQKPIH-SFHVURJKSA-N -1 3 386.460 0.381 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573434300 948213682 /nfs/dbraw/zinc/21/36/82/948213682.db2.gz PYYVFQUTTQKPIH-SFHVURJKSA-N -1 3 386.460 0.381 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl)n1cccc1 ZINC001573681914 948217349 /nfs/dbraw/zinc/21/73/49/948217349.db2.gz YXYSNLMLOMPPOT-PWSUYJOCSA-N -1 3 390.835 0.867 20 0 GCADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl)n1cccc1 ZINC001573681914 948217358 /nfs/dbraw/zinc/21/73/58/948217358.db2.gz YXYSNLMLOMPPOT-PWSUYJOCSA-N -1 3 390.835 0.867 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573434580 948218230 /nfs/dbraw/zinc/21/82/30/948218230.db2.gz QQZLEKPWZJBJGZ-SGTLLEGYSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573434580 948218243 /nfs/dbraw/zinc/21/82/43/948218243.db2.gz QQZLEKPWZJBJGZ-SGTLLEGYSA-N -1 3 386.460 0.684 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573434681 948218283 /nfs/dbraw/zinc/21/82/83/948218283.db2.gz SHSQESRAOSYSEW-BBATYDOGSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573434681 948218292 /nfs/dbraw/zinc/21/82/92/948218292.db2.gz SHSQESRAOSYSEW-BBATYDOGSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573435273 948226680 /nfs/dbraw/zinc/22/66/80/948226680.db2.gz VGLYTGGCQNIZKN-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573435273 948226690 /nfs/dbraw/zinc/22/66/90/948226690.db2.gz VGLYTGGCQNIZKN-SGTLLEGYSA-N -1 3 386.460 0.461 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1)S(C)(=O)=O ZINC001573690761 948229897 /nfs/dbraw/zinc/22/98/97/948229897.db2.gz AUXPZBFPMURKJY-SNVBAGLBSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1)S(C)(=O)=O ZINC001573690761 948229901 /nfs/dbraw/zinc/22/99/01/948229901.db2.gz AUXPZBFPMURKJY-SNVBAGLBSA-N -1 3 379.446 0.146 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC2(Nc3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001573435649 948232408 /nfs/dbraw/zinc/23/24/08/948232408.db2.gz YOQXLOJSZNDWOQ-QGZVFWFLSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CC[C@@](C)(C(=O)NCC2(Nc3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001573435649 948232416 /nfs/dbraw/zinc/23/24/16/948232416.db2.gz YOQXLOJSZNDWOQ-QGZVFWFLSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC001573690880 948232886 /nfs/dbraw/zinc/23/28/86/948232886.db2.gz GDQSDQRZNHUZCD-HTRCEHHLSA-N -1 3 377.302 0.488 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC001573690880 948232893 /nfs/dbraw/zinc/23/28/93/948232893.db2.gz GDQSDQRZNHUZCD-HTRCEHHLSA-N -1 3 377.302 0.488 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573691120 948237147 /nfs/dbraw/zinc/23/71/47/948237147.db2.gz DDCJBZMIOVSDEL-DGCLKSJQSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1)[C@H]1CCC(=O)N1 ZINC001573691120 948237156 /nfs/dbraw/zinc/23/71/56/948237156.db2.gz DDCJBZMIOVSDEL-DGCLKSJQSA-N -1 3 384.444 0.627 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573438580 948237492 /nfs/dbraw/zinc/23/74/92/948237492.db2.gz CHWKIODXATYRHB-JSGCOSHPSA-N -1 3 386.460 0.779 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)N(C)C[C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573438580 948237502 /nfs/dbraw/zinc/23/75/02/948237502.db2.gz CHWKIODXATYRHB-JSGCOSHPSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccco1 ZINC001573691441 948243552 /nfs/dbraw/zinc/24/35/52/948243552.db2.gz IRDLUUOEGCNLDU-MNOVXSKESA-N -1 3 387.400 0.141 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccco1 ZINC001573691441 948243560 /nfs/dbraw/zinc/24/35/60/948243560.db2.gz IRDLUUOEGCNLDU-MNOVXSKESA-N -1 3 387.400 0.141 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CN(c2ccccc2)C1=O ZINC000826411809 948249400 /nfs/dbraw/zinc/24/94/00/948249400.db2.gz OMCXNDQWLDDRIW-HNNXBMFYSA-N -1 3 391.391 0.128 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CN(c2ccccc2)C1=O ZINC000826411809 948249411 /nfs/dbraw/zinc/24/94/11/948249411.db2.gz OMCXNDQWLDDRIW-HNNXBMFYSA-N -1 3 391.391 0.128 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1ccc(CO)cc1 ZINC000826412053 948249878 /nfs/dbraw/zinc/24/98/78/948249878.db2.gz ZFYDAZGTACFBNE-UHFFFAOYSA-N -1 3 380.408 0.448 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1ccc(CO)cc1 ZINC000826412053 948249888 /nfs/dbraw/zinc/24/98/88/948249888.db2.gz ZFYDAZGTACFBNE-UHFFFAOYSA-N -1 3 380.408 0.448 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CN(c2ccccc2)C1=O ZINC000826411810 948250279 /nfs/dbraw/zinc/25/02/79/948250279.db2.gz OMCXNDQWLDDRIW-OAHLLOKOSA-N -1 3 391.391 0.128 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CN(c2ccccc2)C1=O ZINC000826411810 948250289 /nfs/dbraw/zinc/25/02/89/948250289.db2.gz OMCXNDQWLDDRIW-OAHLLOKOSA-N -1 3 391.391 0.128 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573691883 948250683 /nfs/dbraw/zinc/25/06/83/948250683.db2.gz KUTYAOZRVMXYJK-MFKMUULPSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573691883 948250686 /nfs/dbraw/zinc/25/06/86/948250686.db2.gz KUTYAOZRVMXYJK-MFKMUULPSA-N -1 3 375.433 0.228 20 0 GCADHM O=C(COC(=O)CSc1nncs1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826415578 948254619 /nfs/dbraw/zinc/25/46/19/948254619.db2.gz KLISDKGQVKLKJE-UHFFFAOYSA-N -1 3 391.438 0.670 20 0 GCADHM O=C(COC(=O)CSc1nncs1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826415578 948254625 /nfs/dbraw/zinc/25/46/25/948254625.db2.gz KLISDKGQVKLKJE-UHFFFAOYSA-N -1 3 391.438 0.670 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573692609 948270170 /nfs/dbraw/zinc/27/01/70/948270170.db2.gz QANRALLWWGXQFQ-JQWIXIFHSA-N -1 3 387.400 0.141 20 0 GCADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573692609 948270183 /nfs/dbraw/zinc/27/01/83/948270183.db2.gz QANRALLWWGXQFQ-JQWIXIFHSA-N -1 3 387.400 0.141 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573441689 948274910 /nfs/dbraw/zinc/27/49/10/948274910.db2.gz MORJDKIHZBYLFI-IINYFYTJSA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573441689 948274918 /nfs/dbraw/zinc/27/49/18/948274918.db2.gz MORJDKIHZBYLFI-IINYFYTJSA-N -1 3 390.423 0.671 20 0 GCADHM O=C(N1CCN(c2ccccc2-c2nnn[n-]2)CC1)C1(N2CCOCC2)CCC1 ZINC000826426504 948276574 /nfs/dbraw/zinc/27/65/74/948276574.db2.gz OSSVTXASVNRWSK-UHFFFAOYSA-N -1 3 397.483 0.770 20 0 GCADHM O=C(N1CCN(c2ccccc2-c2nn[n-]n2)CC1)C1(N2CCOCC2)CCC1 ZINC000826426504 948276583 /nfs/dbraw/zinc/27/65/83/948276583.db2.gz OSSVTXASVNRWSK-UHFFFAOYSA-N -1 3 397.483 0.770 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCC1)S(C)(=O)=O ZINC001573693744 948286620 /nfs/dbraw/zinc/28/66/20/948286620.db2.gz YTLOQDXLTNDCOQ-JTQLQIEISA-N -1 3 379.446 0.146 20 0 GCADHM C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCC1)S(C)(=O)=O ZINC001573693744 948286631 /nfs/dbraw/zinc/28/66/31/948286631.db2.gz YTLOQDXLTNDCOQ-JTQLQIEISA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCC1)S(C)(=O)=O ZINC001573693746 948287379 /nfs/dbraw/zinc/28/73/79/948287379.db2.gz YTLOQDXLTNDCOQ-SNVBAGLBSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCC1)S(C)(=O)=O ZINC001573693746 948287388 /nfs/dbraw/zinc/28/73/88/948287388.db2.gz YTLOQDXLTNDCOQ-SNVBAGLBSA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)C(F)(F)F ZINC001573694299 948294420 /nfs/dbraw/zinc/29/44/20/948294420.db2.gz CEEPZHPZDYXPSC-YMTOWFKASA-N -1 3 385.350 0.518 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)C(F)(F)F ZINC001573694299 948294427 /nfs/dbraw/zinc/29/44/27/948294427.db2.gz CEEPZHPZDYXPSC-YMTOWFKASA-N -1 3 385.350 0.518 20 0 GCADHM O=C(NCCc1ccc(CO)cc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826439406 948297293 /nfs/dbraw/zinc/29/72/93/948297293.db2.gz SWZAQTVQLLEBDD-UHFFFAOYSA-N -1 3 384.371 0.796 20 0 GCADHM O=C(NCCc1ccc(CO)cc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826439406 948297300 /nfs/dbraw/zinc/29/73/00/948297300.db2.gz SWZAQTVQLLEBDD-UHFFFAOYSA-N -1 3 384.371 0.796 20 0 GCADHM C[C@H](C(=O)NCC1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573694711 948297745 /nfs/dbraw/zinc/29/77/45/948297745.db2.gz DBCSOXAYAOHQMY-PNESKVBLSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NCC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573694711 948297751 /nfs/dbraw/zinc/29/77/51/948297751.db2.gz DBCSOXAYAOHQMY-PNESKVBLSA-N -1 3 382.428 0.882 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573443778 948308594 /nfs/dbraw/zinc/30/85/94/948308594.db2.gz OTVSWFDMXCUYSM-RISCZKNCSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573443778 948308600 /nfs/dbraw/zinc/30/86/00/948308600.db2.gz OTVSWFDMXCUYSM-RISCZKNCSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573695805 948311186 /nfs/dbraw/zinc/31/11/86/948311186.db2.gz IPWJONNAVIQGQV-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573695805 948311190 /nfs/dbraw/zinc/31/11/90/948311190.db2.gz IPWJONNAVIQGQV-SNVBAGLBSA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)[C@@H]1CCCO1 ZINC001573696157 948318874 /nfs/dbraw/zinc/31/88/74/948318874.db2.gz LPZXSIIIURPZAQ-CJNGLKHVSA-N -1 3 386.456 0.345 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1)[C@@H]1CCCO1 ZINC001573696157 948318881 /nfs/dbraw/zinc/31/88/81/948318881.db2.gz LPZXSIIIURPZAQ-CJNGLKHVSA-N -1 3 386.456 0.345 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cccc1 ZINC001573696266 948319876 /nfs/dbraw/zinc/31/98/76/948319876.db2.gz MUMHSLNZSKYWKP-ACJLOTCBSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cccc1 ZINC001573696266 948319883 /nfs/dbraw/zinc/31/98/83/948319883.db2.gz MUMHSLNZSKYWKP-ACJLOTCBSA-N -1 3 382.428 0.382 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)C(C)(F)F ZINC001573696254 948320660 /nfs/dbraw/zinc/32/06/60/948320660.db2.gz MQYUPXVTAGSQAH-HWPZZCPQSA-N -1 3 381.387 0.610 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)C(C)(F)F ZINC001573696254 948320671 /nfs/dbraw/zinc/32/06/71/948320671.db2.gz MQYUPXVTAGSQAH-HWPZZCPQSA-N -1 3 381.387 0.610 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573446410 948329706 /nfs/dbraw/zinc/32/97/06/948329706.db2.gz DVSLWPLLUQCYHM-QMTHXVAHSA-N -1 3 390.423 0.671 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573446410 948329716 /nfs/dbraw/zinc/32/97/16/948329716.db2.gz DVSLWPLLUQCYHM-QMTHXVAHSA-N -1 3 390.423 0.671 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000826456579 948329762 /nfs/dbraw/zinc/32/97/62/948329762.db2.gz MOYIRHJNYISNIY-CZUORRHYSA-N -1 3 392.441 0.725 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000826456579 948329768 /nfs/dbraw/zinc/32/97/68/948329768.db2.gz MOYIRHJNYISNIY-CZUORRHYSA-N -1 3 392.441 0.725 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C1CC1 ZINC001573696602 948330656 /nfs/dbraw/zinc/33/06/56/948330656.db2.gz STPALYQVTTZCQU-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C1CC1 ZINC001573696602 948330664 /nfs/dbraw/zinc/33/06/64/948330664.db2.gz STPALYQVTTZCQU-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573446586 948330859 /nfs/dbraw/zinc/33/08/59/948330859.db2.gz JNXRNPIUGRKLAC-JKSUJKDBSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573446586 948330867 /nfs/dbraw/zinc/33/08/67/948330867.db2.gz JNXRNPIUGRKLAC-JKSUJKDBSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001573446585 948332414 /nfs/dbraw/zinc/33/24/14/948332414.db2.gz JNXRNPIUGRKLAC-HZPDHXFCSA-N -1 3 384.444 0.579 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001573446585 948332422 /nfs/dbraw/zinc/33/24/22/948332422.db2.gz JNXRNPIUGRKLAC-HZPDHXFCSA-N -1 3 384.444 0.579 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)c1ccco1 ZINC001573696686 948332915 /nfs/dbraw/zinc/33/29/15/948332915.db2.gz VRVDIGDNOCEDFW-CYBMUJFWSA-N -1 3 382.424 0.926 20 0 GCADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)c1ccco1 ZINC001573696686 948332924 /nfs/dbraw/zinc/33/29/24/948332924.db2.gz VRVDIGDNOCEDFW-CYBMUJFWSA-N -1 3 382.424 0.926 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CCC1 ZINC001573696797 948334074 /nfs/dbraw/zinc/33/40/74/948334074.db2.gz XEMMRCWYFPHYDV-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](C(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CCC1 ZINC001573696797 948334079 /nfs/dbraw/zinc/33/40/79/948334079.db2.gz XEMMRCWYFPHYDV-BBATYDOGSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1CCC1 ZINC001573696785 948334509 /nfs/dbraw/zinc/33/45/09/948334509.db2.gz XCDUSRHGKFKALU-ZMZPIMSZSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1CCC1 ZINC001573696785 948334514 /nfs/dbraw/zinc/33/45/14/948334514.db2.gz XCDUSRHGKFKALU-ZMZPIMSZSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1CCC1 ZINC001573696782 948334708 /nfs/dbraw/zinc/33/47/08/948334708.db2.gz XCDUSRHGKFKALU-ADLMAVQZSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1CCC1 ZINC001573696782 948334715 /nfs/dbraw/zinc/33/47/15/948334715.db2.gz XCDUSRHGKFKALU-ADLMAVQZSA-N -1 3 389.435 0.894 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573696826 948335156 /nfs/dbraw/zinc/33/51/56/948335156.db2.gz XNECXHVEGRXQLV-ZMZPIMSZSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](C(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573696826 948335164 /nfs/dbraw/zinc/33/51/64/948335164.db2.gz XNECXHVEGRXQLV-ZMZPIMSZSA-N -1 3 389.460 0.570 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573446896 948337903 /nfs/dbraw/zinc/33/79/03/948337903.db2.gz QZIYYGPTSWPKFQ-XHDPSFHLSA-N -1 3 386.460 0.745 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573446896 948337913 /nfs/dbraw/zinc/33/79/13/948337913.db2.gz QZIYYGPTSWPKFQ-XHDPSFHLSA-N -1 3 386.460 0.745 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573701400 948338031 /nfs/dbraw/zinc/33/80/31/948338031.db2.gz ABTKQCBRXBINKP-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573701400 948338040 /nfs/dbraw/zinc/33/80/40/948338040.db2.gz ABTKQCBRXBINKP-CHWSQXEVSA-N -1 3 382.428 0.978 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573447063 948339615 /nfs/dbraw/zinc/33/96/15/948339615.db2.gz SZIABTGMMLAOBF-XHDPSFHLSA-N -1 3 386.460 0.888 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573447063 948339623 /nfs/dbraw/zinc/33/96/23/948339623.db2.gz SZIABTGMMLAOBF-XHDPSFHLSA-N -1 3 386.460 0.888 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573701938 948340997 /nfs/dbraw/zinc/34/09/97/948340997.db2.gz BTJWNRPLCIHGIC-NEPJUHHUSA-N -1 3 385.407 0.944 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573701938 948341009 /nfs/dbraw/zinc/34/10/09/948341009.db2.gz BTJWNRPLCIHGIC-NEPJUHHUSA-N -1 3 385.407 0.944 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573447111 948341191 /nfs/dbraw/zinc/34/11/91/948341191.db2.gz VOOKGBNHCOOLQO-QMTHXVAHSA-N -1 3 390.423 0.353 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573447111 948341199 /nfs/dbraw/zinc/34/11/99/948341199.db2.gz VOOKGBNHCOOLQO-QMTHXVAHSA-N -1 3 390.423 0.353 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573703099 948350492 /nfs/dbraw/zinc/35/04/92/948350492.db2.gz HTDLULDIOSIPBQ-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573703099 948350498 /nfs/dbraw/zinc/35/04/98/948350498.db2.gz HTDLULDIOSIPBQ-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573704293 948369705 /nfs/dbraw/zinc/36/97/05/948369705.db2.gz RFAQMDOFZICDON-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573704293 948369711 /nfs/dbraw/zinc/36/97/11/948369711.db2.gz RFAQMDOFZICDON-OLZOCXBDSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573704416 948371180 /nfs/dbraw/zinc/37/11/80/948371180.db2.gz RWHLURBHENSCBN-SWLSCSKDSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cncn1 ZINC001573704355 948371507 /nfs/dbraw/zinc/37/15/07/948371507.db2.gz ATVRFWOGYVBDMB-GHMZBOCLSA-N -1 3 386.395 0.196 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cncn1 ZINC001573704355 948371515 /nfs/dbraw/zinc/37/15/15/948371515.db2.gz ATVRFWOGYVBDMB-GHMZBOCLSA-N -1 3 386.395 0.196 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)n1cncn1 ZINC001573704375 948372015 /nfs/dbraw/zinc/37/20/15/948372015.db2.gz AYFGIMQKPITMQK-RYUDHWBXSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)n1cncn1 ZINC001573704375 948372023 /nfs/dbraw/zinc/37/20/23/948372023.db2.gz AYFGIMQKPITMQK-RYUDHWBXSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001573704500 948373419 /nfs/dbraw/zinc/37/34/19/948373419.db2.gz BHQJQBVFPULXDY-UWVGGRQHSA-N -1 3 384.487 0.052 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CCC1 ZINC001573704485 948373491 /nfs/dbraw/zinc/37/34/91/948373491.db2.gz BEFLNCZXYROUSV-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CCC1 ZINC001573704485 948373502 /nfs/dbraw/zinc/37/35/02/948373502.db2.gz BEFLNCZXYROUSV-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1)C1CCC1 ZINC001573704486 948374341 /nfs/dbraw/zinc/37/43/41/948374341.db2.gz BEFLNCZXYROUSV-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1)C1CCC1 ZINC001573704486 948374346 /nfs/dbraw/zinc/37/43/46/948374346.db2.gz BEFLNCZXYROUSV-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001573704502 948376177 /nfs/dbraw/zinc/37/61/77/948376177.db2.gz BHQJQBVFPULXDY-ZJUUUORDSA-N -1 3 384.487 0.052 20 0 GCADHM O=C1[C@@H](N2CCN([C@H]3CCOC3)CC2)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826476439 948381185 /nfs/dbraw/zinc/38/11/85/948381185.db2.gz HUUILNCAYRRDHP-ROUUACIJSA-N -1 3 397.483 0.769 20 0 GCADHM C[C@@H](C(=O)NC/C=C\CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccnn1C ZINC001573704909 948387108 /nfs/dbraw/zinc/38/71/08/948387108.db2.gz BUIGOWQFCNULAF-DLRQAJBASA-N -1 3 383.416 0.134 20 0 GCADHM C[C@@H](C(=O)NC/C=C\CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccnn1C ZINC001573704909 948387123 /nfs/dbraw/zinc/38/71/23/948387123.db2.gz BUIGOWQFCNULAF-DLRQAJBASA-N -1 3 383.416 0.134 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1ncccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001573705027 948389814 /nfs/dbraw/zinc/38/98/14/948389814.db2.gz VFCIHFXQDQJFSV-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCCN1c1ncccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001573705027 948389826 /nfs/dbraw/zinc/38/98/26/948389826.db2.gz VFCIHFXQDQJFSV-GXTWGEPZSA-N -1 3 381.444 0.884 20 0 GCADHM O=C1CN(CN2CCC(F)(F)C2)C(=O)N1Cc1ccccc1-c1nnn[n-]1 ZINC000826481209 948393551 /nfs/dbraw/zinc/39/35/51/948393551.db2.gz LFDIVRPQMKHTIJ-UHFFFAOYSA-N -1 3 377.355 0.929 20 0 GCADHM O=C1CN(CN2CCC(F)(F)C2)C(=O)N1Cc1ccccc1-c1nn[n-]n1 ZINC000826481209 948393555 /nfs/dbraw/zinc/39/35/55/948393555.db2.gz LFDIVRPQMKHTIJ-UHFFFAOYSA-N -1 3 377.355 0.929 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573705156 948393850 /nfs/dbraw/zinc/39/38/50/948393850.db2.gz GCTXOGDICDBEAK-RISCZKNCSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573705156 948393856 /nfs/dbraw/zinc/39/38/56/948393856.db2.gz GCTXOGDICDBEAK-RISCZKNCSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573705223 948394847 /nfs/dbraw/zinc/39/48/47/948394847.db2.gz DMHKGWJWADZCAY-ZWNOBZJWSA-N -1 3 375.408 0.768 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573705223 948394852 /nfs/dbraw/zinc/39/48/52/948394852.db2.gz DMHKGWJWADZCAY-ZWNOBZJWSA-N -1 3 375.408 0.768 20 0 GCADHM O=S(=O)(NCc1nc(C(F)(F)F)no1)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826492272 948405914 /nfs/dbraw/zinc/40/59/14/948405914.db2.gz AJUXNAJPHLGKFL-UHFFFAOYSA-N -1 3 393.282 0.886 20 0 GCADHM O=S(=O)(NCc1nc(C(F)(F)F)no1)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826492272 948405920 /nfs/dbraw/zinc/40/59/20/948405920.db2.gz AJUXNAJPHLGKFL-UHFFFAOYSA-N -1 3 393.282 0.886 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573706030 948410793 /nfs/dbraw/zinc/41/07/93/948410793.db2.gz JFPPQCMDNKLCCM-STQMWFEESA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573706030 948410801 /nfs/dbraw/zinc/41/08/01/948410801.db2.gz JFPPQCMDNKLCCM-STQMWFEESA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573706024 948411280 /nfs/dbraw/zinc/41/12/80/948411280.db2.gz JFPPQCMDNKLCCM-CHWSQXEVSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573706024 948411286 /nfs/dbraw/zinc/41/12/86/948411286.db2.gz JFPPQCMDNKLCCM-CHWSQXEVSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)n1cccn1 ZINC001573706010 948411401 /nfs/dbraw/zinc/41/14/01/948411401.db2.gz JCURMQPLYJZXEN-RYUDHWBXSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)n1cccn1 ZINC001573706010 948411403 /nfs/dbraw/zinc/41/14/03/948411403.db2.gz JCURMQPLYJZXEN-RYUDHWBXSA-N -1 3 385.407 0.801 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573706293 948414839 /nfs/dbraw/zinc/41/48/39/948414839.db2.gz IBWVOZFWSSSNSC-JSGCOSHPSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573706293 948414844 /nfs/dbraw/zinc/41/48/44/948414844.db2.gz IBWVOZFWSSSNSC-JSGCOSHPSA-N -1 3 383.416 0.041 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573706465 948419504 /nfs/dbraw/zinc/41/95/04/948419504.db2.gz KYQUHEIBLHCLOP-STQMWFEESA-N -1 3 381.444 0.741 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573706465 948419511 /nfs/dbraw/zinc/41/95/11/948419511.db2.gz KYQUHEIBLHCLOP-STQMWFEESA-N -1 3 381.444 0.741 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573706518 948420548 /nfs/dbraw/zinc/42/05/48/948420548.db2.gz LLAHJPBSSNHHGH-QWHCGFSZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573706518 948420552 /nfs/dbraw/zinc/42/05/52/948420552.db2.gz LLAHJPBSSNHHGH-QWHCGFSZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)C(F)(F)F ZINC001573706762 948424237 /nfs/dbraw/zinc/42/42/37/948424237.db2.gz LENBHZMBDLFEQS-KOLCDFICSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)C(F)(F)F ZINC001573706762 948424241 /nfs/dbraw/zinc/42/42/41/948424241.db2.gz LENBHZMBDLFEQS-KOLCDFICSA-N -1 3 385.350 0.782 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C(C)(C)C ZINC001573706761 948424378 /nfs/dbraw/zinc/42/43/78/948424378.db2.gz LUVZXSDHLDTRTC-YPMHNXCESA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C(C)(C)C ZINC001573706761 948424386 /nfs/dbraw/zinc/42/43/86/948424386.db2.gz LUVZXSDHLDTRTC-YPMHNXCESA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C(C)(C)C ZINC001573706753 948424582 /nfs/dbraw/zinc/42/45/82/948424582.db2.gz LUVZXSDHLDTRTC-AAEUAGOBSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C(C)(C)C ZINC001573706753 948424589 /nfs/dbraw/zinc/42/45/89/948424589.db2.gz LUVZXSDHLDTRTC-AAEUAGOBSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1)C1CCC1 ZINC001573706791 948424841 /nfs/dbraw/zinc/42/48/41/948424841.db2.gz MAPNKTGWLNITNT-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1)C1CCC1 ZINC001573706791 948424849 /nfs/dbraw/zinc/42/48/49/948424849.db2.gz MAPNKTGWLNITNT-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)C(C)(F)F ZINC001573707238 948430319 /nfs/dbraw/zinc/43/03/19/948430319.db2.gz NIDSUGSFJSTIAZ-QWRGUYRKSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)C(C)(F)F ZINC001573707238 948430323 /nfs/dbraw/zinc/43/03/23/948430323.db2.gz NIDSUGSFJSTIAZ-QWRGUYRKSA-N -1 3 381.387 0.874 20 0 GCADHM C[C@@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573707255 948431334 /nfs/dbraw/zinc/43/13/34/948431334.db2.gz OIULVXBWHHUZAW-LLVKDONJSA-N -1 3 380.412 0.582 20 0 GCADHM C[C@@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573707255 948431338 /nfs/dbraw/zinc/43/13/38/948431338.db2.gz OIULVXBWHHUZAW-LLVKDONJSA-N -1 3 380.412 0.582 20 0 GCADHM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)n1cncn1 ZINC001573707285 948431693 /nfs/dbraw/zinc/43/16/93/948431693.db2.gz OSMQIKOACJWASF-LBPRGKRZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NCC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)n1cncn1 ZINC001573707285 948431697 /nfs/dbraw/zinc/43/16/97/948431697.db2.gz OSMQIKOACJWASF-LBPRGKRZSA-N -1 3 382.432 0.447 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573707457 948432963 /nfs/dbraw/zinc/43/29/63/948432963.db2.gz PBWOBZHKLBWVSE-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573707457 948432969 /nfs/dbraw/zinc/43/29/69/948432969.db2.gz PBWOBZHKLBWVSE-BXUZGUMPSA-N -1 3 380.412 0.724 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1Cc1cc(-c2nn[n-]n2)ccc1F)n1cncn1 ZINC001573708132 948443618 /nfs/dbraw/zinc/44/36/18/948443618.db2.gz RTHCNIIHKRMTPC-SMDDNHRTSA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573708382 948450335 /nfs/dbraw/zinc/45/03/35/948450335.db2.gz UNHZQDHLZRUHGS-STQMWFEESA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573708382 948450338 /nfs/dbraw/zinc/45/03/38/948450338.db2.gz UNHZQDHLZRUHGS-STQMWFEESA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573708553 948453000 /nfs/dbraw/zinc/45/30/00/948453000.db2.gz VQIDCBYDAJMGRV-WCQYABFASA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573708553 948453006 /nfs/dbraw/zinc/45/30/06/948453006.db2.gz VQIDCBYDAJMGRV-WCQYABFASA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573708554 948453755 /nfs/dbraw/zinc/45/37/55/948453755.db2.gz VQIDCBYDAJMGRV-YPMHNXCESA-N -1 3 385.407 0.549 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1ccc(F)c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573708554 948453758 /nfs/dbraw/zinc/45/37/58/948453758.db2.gz VQIDCBYDAJMGRV-YPMHNXCESA-N -1 3 385.407 0.549 20 0 GCADHM C[C@@H](C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cccnc1 ZINC001573708573 948454280 /nfs/dbraw/zinc/45/42/80/948454280.db2.gz VWRGGDUQWAQIOX-LLVKDONJSA-N -1 3 380.412 0.582 20 0 GCADHM C[C@@H](C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cccnc1 ZINC001573708573 948454285 /nfs/dbraw/zinc/45/42/85/948454285.db2.gz VWRGGDUQWAQIOX-LLVKDONJSA-N -1 3 380.412 0.582 20 0 GCADHM c1cnc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c(-c2nnn[n-]2)c1 ZINC000826525456 948462484 /nfs/dbraw/zinc/46/24/84/948462484.db2.gz LEHDECKXIUOPOO-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM c1cnc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c(-c2nn[n-]n2)c1 ZINC000826525456 948462490 /nfs/dbraw/zinc/46/24/90/948462490.db2.gz LEHDECKXIUOPOO-UHFFFAOYSA-N -1 3 394.443 0.215 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)c1ccco1 ZINC001573708952 948463544 /nfs/dbraw/zinc/46/35/44/948463544.db2.gz ZNWLSWJUUIXGKE-JSGCOSHPSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)c1ccco1 ZINC001573708952 948463548 /nfs/dbraw/zinc/46/35/48/948463548.db2.gz ZNWLSWJUUIXGKE-JSGCOSHPSA-N -1 3 383.412 0.980 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cccn1 ZINC001573714687 948475149 /nfs/dbraw/zinc/47/51/49/948475149.db2.gz IPRPHOKNEKQXTF-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NCCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cccn1 ZINC001573714687 948475156 /nfs/dbraw/zinc/47/51/56/948475156.db2.gz IPRPHOKNEKQXTF-LLVKDONJSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@H](C(=O)NCCN(C)Cc1cc(-c2nn[n-]n2)ccc1F)[C@@H]1CCC(=O)N1 ZINC001573714722 948476964 /nfs/dbraw/zinc/47/69/64/948476964.db2.gz JFAQAEBKXBXSLV-NHYWBVRUSA-N -1 3 389.435 0.469 20 0 GCADHM CCOC(=O)C1([S@@](C)=O)CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001140998484 948479405 /nfs/dbraw/zinc/47/94/05/948479405.db2.gz XLTADTSFHMEYEA-HHHXNRCGSA-N -1 3 392.441 0.178 20 0 GCADHM CCOC(=O)C1([S@@](C)=O)CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001140998484 948479410 /nfs/dbraw/zinc/47/94/10/948479410.db2.gz XLTADTSFHMEYEA-HHHXNRCGSA-N -1 3 392.441 0.178 20 0 GCADHM CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185623044 948491731 /nfs/dbraw/zinc/49/17/31/948491731.db2.gz WZKRCABYIMJKOW-UHFFFAOYSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)C(=O)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185623044 948491734 /nfs/dbraw/zinc/49/17/34/948491734.db2.gz WZKRCABYIMJKOW-UHFFFAOYSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)C1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573716898 948502784 /nfs/dbraw/zinc/50/27/84/948502784.db2.gz JMYBCLHRFOKJEW-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)[C@H](C)C1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573716898 948502790 /nfs/dbraw/zinc/50/27/90/948502790.db2.gz JMYBCLHRFOKJEW-GHMZBOCLSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573716934 948502999 /nfs/dbraw/zinc/50/29/99/948502999.db2.gz KIWJOMGPGDSFFK-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](CCNC(=O)[C@@H](C)c1cnn(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573716934 948503010 /nfs/dbraw/zinc/50/30/10/948503010.db2.gz KIWJOMGPGDSFFK-QWRGUYRKSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@@H](C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CCC1 ZINC001573717135 948504134 /nfs/dbraw/zinc/50/41/34/948504134.db2.gz BVSSQODIAQYZQW-CQSZACIVSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@@H](C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CCC1 ZINC001573717135 948504139 /nfs/dbraw/zinc/50/41/39/948504139.db2.gz BVSSQODIAQYZQW-CQSZACIVSA-N -1 3 384.488 0.936 20 0 GCADHM CS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC001448359236 948522844 /nfs/dbraw/zinc/52/28/44/948522844.db2.gz SZUHQAFHJNCXCW-UHFFFAOYSA-N -1 3 376.373 0.734 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccco1 ZINC001573719233 948522768 /nfs/dbraw/zinc/52/27/68/948522768.db2.gz LTCIKGYEYLZXEQ-NSHDSACASA-N -1 3 387.400 0.142 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccco1 ZINC001573719233 948522771 /nfs/dbraw/zinc/52/27/71/948522771.db2.gz LTCIKGYEYLZXEQ-NSHDSACASA-N -1 3 387.400 0.142 20 0 GCADHM CS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC001448359236 948522850 /nfs/dbraw/zinc/52/28/50/948522850.db2.gz SZUHQAFHJNCXCW-UHFFFAOYSA-N -1 3 376.373 0.734 20 0 GCADHM C[C@H](C(=O)NCCN(c1ncccc1-c1nnn[n-]1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573719175 948523509 /nfs/dbraw/zinc/52/35/09/948523509.db2.gz KQQRBZGNRGNWIN-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](C(=O)NCCN(c1ncccc1-c1nn[n-]n1)C1CC1)[C@@H]1CCC(=O)N1 ZINC001573719175 948523515 /nfs/dbraw/zinc/52/35/15/948523515.db2.gz KQQRBZGNRGNWIN-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ncccc1-c1nnn[n-]1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573719174 948523626 /nfs/dbraw/zinc/52/36/26/948523626.db2.gz KQQRBZGNRGNWIN-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NCCN(c1ncccc1-c1nn[n-]n1)C1CC1)[C@H]1CCC(=O)N1 ZINC001573719174 948523632 /nfs/dbraw/zinc/52/36/32/948523632.db2.gz KQQRBZGNRGNWIN-BXUZGUMPSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573720177 948532558 /nfs/dbraw/zinc/53/25/58/948532558.db2.gz PQXMBJGBEPAGLW-VIFPVBQESA-N -1 3 376.812 0.320 20 0 GCADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573720177 948532567 /nfs/dbraw/zinc/53/25/67/948532567.db2.gz PQXMBJGBEPAGLW-VIFPVBQESA-N -1 3 376.812 0.320 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(F)F ZINC001573721579 948541473 /nfs/dbraw/zinc/54/14/73/948541473.db2.gz YQXIGVAPWZGGBV-SECBINFHSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(F)F ZINC001573721579 948541477 /nfs/dbraw/zinc/54/14/77/948541477.db2.gz YQXIGVAPWZGGBV-SECBINFHSA-N -1 3 385.375 0.037 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCC(=O)N1 ZINC001573725997 948548594 /nfs/dbraw/zinc/54/85/94/948548594.db2.gz FHHPRDXINOTFSN-NMKXLXIOSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573725997 948548600 /nfs/dbraw/zinc/54/86/00/948548600.db2.gz FHHPRDXINOTFSN-NMKXLXIOSA-N -1 3 384.444 0.483 20 0 GCADHM CCOC(=O)[C@H](COC)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001561914346 948558378 /nfs/dbraw/zinc/55/83/78/948558378.db2.gz CFMDNEHHOLHEIJ-NSHDSACASA-N -1 3 389.821 0.377 20 0 GCADHM CCOC(=O)[C@H](COC)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001561914346 948558380 /nfs/dbraw/zinc/55/83/80/948558380.db2.gz CFMDNEHHOLHEIJ-NSHDSACASA-N -1 3 389.821 0.377 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573728321 948560689 /nfs/dbraw/zinc/56/06/89/948560689.db2.gz CZQURYNLYZXWMY-NHCYSSNCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573728321 948560698 /nfs/dbraw/zinc/56/06/98/948560698.db2.gz CZQURYNLYZXWMY-NHCYSSNCSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCC(=O)N1 ZINC001573728334 948561234 /nfs/dbraw/zinc/56/12/34/948561234.db2.gz DGYDDBNXFWYSBU-IMIFBBOLSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCC(=O)N1 ZINC001573728334 948561242 /nfs/dbraw/zinc/56/12/42/948561242.db2.gz DGYDDBNXFWYSBU-IMIFBBOLSA-N -1 3 384.444 0.483 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573728889 948563811 /nfs/dbraw/zinc/56/38/11/948563811.db2.gz RFXMNXIWJLRLOB-YRGRVCCFSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573728889 948563818 /nfs/dbraw/zinc/56/38/18/948563818.db2.gz RFXMNXIWJLRLOB-YRGRVCCFSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCOCC1 ZINC001573728753 948563918 /nfs/dbraw/zinc/56/39/18/948563918.db2.gz QWJHKVLJTMLMHK-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H](C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCOCC1 ZINC001573728753 948563927 /nfs/dbraw/zinc/56/39/27/948563927.db2.gz QWJHKVLJTMLMHK-WDEREUQCSA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573729156 948567193 /nfs/dbraw/zinc/56/71/93/948567193.db2.gz HTFRWVQCXJDPDO-TZQJONAQSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573729156 948567198 /nfs/dbraw/zinc/56/71/98/948567198.db2.gz HTFRWVQCXJDPDO-TZQJONAQSA-N -1 3 387.444 0.635 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573729847 948571451 /nfs/dbraw/zinc/57/14/51/948571451.db2.gz VFQDABSWPZUGNE-GARJFASQSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573729847 948571461 /nfs/dbraw/zinc/57/14/61/948571461.db2.gz VFQDABSWPZUGNE-GARJFASQSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001573732070 948599896 /nfs/dbraw/zinc/59/98/96/948599896.db2.gz KWOQUCNKIPHIMD-RYUDHWBXSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001573732070 948599899 /nfs/dbraw/zinc/59/98/99/948599899.db2.gz KWOQUCNKIPHIMD-RYUDHWBXSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cnn(C)c1 ZINC001573736103 948612931 /nfs/dbraw/zinc/61/29/31/948612931.db2.gz IKOSZAGILLKNKR-TZMCWYRMSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cnn(C)c1 ZINC001573736103 948612934 /nfs/dbraw/zinc/61/29/34/948612934.db2.gz IKOSZAGILLKNKR-TZMCWYRMSA-N -1 3 381.444 0.884 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)n1cccc1 ZINC001573739253 948617729 /nfs/dbraw/zinc/61/77/29/948617729.db2.gz BTQBUOHKTZWICV-GDLCADMTSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)n1cccc1 ZINC001573739253 948617732 /nfs/dbraw/zinc/61/77/32/948617732.db2.gz BTQBUOHKTZWICV-GDLCADMTSA-N -1 3 386.391 0.129 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1ccccc1F ZINC001573739786 948622217 /nfs/dbraw/zinc/62/22/17/948622217.db2.gz HPOFNBMMRBFEOL-LYRGGWFBSA-N -1 3 397.414 0.870 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1ccccc1F ZINC001573739786 948622223 /nfs/dbraw/zinc/62/22/23/948622223.db2.gz HPOFNBMMRBFEOL-LYRGGWFBSA-N -1 3 397.414 0.870 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C(C)(C)C ZINC001573739802 948624633 /nfs/dbraw/zinc/62/46/33/948624633.db2.gz ARWJPVKCSWSFTM-BIMULSAOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C(C)(C)C ZINC001573739802 948624637 /nfs/dbraw/zinc/62/46/37/948624637.db2.gz ARWJPVKCSWSFTM-BIMULSAOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C(C)(C)C ZINC001573739804 948624760 /nfs/dbraw/zinc/62/47/60/948624760.db2.gz ARWJPVKCSWSFTM-OASPWFOLSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C(C)(C)C ZINC001573739804 948624765 /nfs/dbraw/zinc/62/47/65/948624765.db2.gz ARWJPVKCSWSFTM-OASPWFOLSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1cccnc1 ZINC001573739963 948625420 /nfs/dbraw/zinc/62/54/20/948625420.db2.gz JAWHNVQKPAOKQG-NILFDRSVSA-N -1 3 380.412 0.126 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1cccnc1 ZINC001573739963 948625425 /nfs/dbraw/zinc/62/54/25/948625425.db2.gz JAWHNVQKPAOKQG-NILFDRSVSA-N -1 3 380.412 0.126 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O)C1CC1 ZINC001573740051 948628363 /nfs/dbraw/zinc/62/83/63/948628363.db2.gz KDSHNYMVIAMKHX-CKLFPEKLSA-N -1 3 377.836 0.627 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O)C1CC1 ZINC001573740051 948628369 /nfs/dbraw/zinc/62/83/69/948628369.db2.gz KDSHNYMVIAMKHX-CKLFPEKLSA-N -1 3 377.836 0.627 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)C1CCCC1 ZINC001573740194 948629235 /nfs/dbraw/zinc/62/92/35/948629235.db2.gz KWQLAGNMJPZXHI-KMUNFCNLSA-N -1 3 389.435 0.893 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)C1CCCC1 ZINC001573740194 948629237 /nfs/dbraw/zinc/62/92/37/948629237.db2.gz KWQLAGNMJPZXHI-KMUNFCNLSA-N -1 3 389.435 0.893 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccc(F)c1 ZINC001573740266 948630797 /nfs/dbraw/zinc/63/07/97/948630797.db2.gz HNYJMBKVJDRXCL-LYRGGWFBSA-N -1 3 397.414 0.870 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccc(F)c1 ZINC001573740266 948630803 /nfs/dbraw/zinc/63/08/03/948630803.db2.gz HNYJMBKVJDRXCL-LYRGGWFBSA-N -1 3 397.414 0.870 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)n1cccc1 ZINC001573740688 948640026 /nfs/dbraw/zinc/64/00/26/948640026.db2.gz MXCUFWSPTZZVII-UXIGCNINSA-N -1 3 385.403 0.734 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)n1cccc1 ZINC001573740688 948640031 /nfs/dbraw/zinc/64/00/31/948640031.db2.gz MXCUFWSPTZZVII-UXIGCNINSA-N -1 3 385.403 0.734 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1cccs1 ZINC001573741012 948646820 /nfs/dbraw/zinc/64/68/20/948646820.db2.gz WUCFASIWORMHGP-UHTWSYAYSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1cccs1 ZINC001573741012 948646824 /nfs/dbraw/zinc/64/68/24/948646824.db2.gz WUCFASIWORMHGP-UHTWSYAYSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1ccsc1 ZINC001573740965 948647021 /nfs/dbraw/zinc/64/70/21/948647021.db2.gz RHIUXESOXHEDLH-LERXQTSPSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1ccsc1 ZINC001573740965 948647025 /nfs/dbraw/zinc/64/70/25/948647025.db2.gz RHIUXESOXHEDLH-LERXQTSPSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)c1ccco1 ZINC001573741037 948648790 /nfs/dbraw/zinc/64/87/90/948648790.db2.gz XECHTCVAAHPAOU-ZWKOPEQDSA-N -1 3 387.375 0.463 20 0 GCADHM C[C@H](C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)c1ccco1 ZINC001573741037 948648793 /nfs/dbraw/zinc/64/87/93/948648793.db2.gz XECHTCVAAHPAOU-ZWKOPEQDSA-N -1 3 387.375 0.463 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1ccsc1 ZINC001573741154 948650672 /nfs/dbraw/zinc/65/06/72/948650672.db2.gz TWNSLUYQXCSLPE-VCTAVGKDSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1ccsc1 ZINC001573741154 948650679 /nfs/dbraw/zinc/65/06/79/948650679.db2.gz TWNSLUYQXCSLPE-VCTAVGKDSA-N -1 3 385.453 0.793 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)C(C)(C)C ZINC001573741610 948657288 /nfs/dbraw/zinc/65/72/88/948657288.db2.gz ZRXXLYGLFWHPAS-BIMULSAOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)C(C)(C)C ZINC001573741610 948657292 /nfs/dbraw/zinc/65/72/92/948657292.db2.gz ZRXXLYGLFWHPAS-BIMULSAOSA-N -1 3 375.433 0.179 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573742569 948661172 /nfs/dbraw/zinc/66/11/72/948661172.db2.gz MIVGCLOGLZOEGO-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573742569 948661177 /nfs/dbraw/zinc/66/11/77/948661177.db2.gz MIVGCLOGLZOEGO-FZMZJTMJSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573743111 948666571 /nfs/dbraw/zinc/66/65/71/948666571.db2.gz XGWMHEHQMQFTTD-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573743111 948666578 /nfs/dbraw/zinc/66/65/78/948666578.db2.gz XGWMHEHQMQFTTD-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)[C@@H]1C)S(C)(=O)=O ZINC001573745561 948672177 /nfs/dbraw/zinc/67/21/77/948672177.db2.gz FPEVSMGKUWNJAM-JMSVASOKSA-N -1 3 392.485 0.379 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573745585 948672924 /nfs/dbraw/zinc/67/29/24/948672924.db2.gz DXWGRMGTMXYRMC-CKYFFXLPSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573745585 948672930 /nfs/dbraw/zinc/67/29/30/948672930.db2.gz DXWGRMGTMXYRMC-CKYFFXLPSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1cnn(C)c1 ZINC001573746486 948682886 /nfs/dbraw/zinc/68/28/86/948682886.db2.gz KERHOSWNGOIIBJ-WQAKAFBOSA-N -1 3 385.407 0.997 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1cnn(C)c1 ZINC001573746486 948682889 /nfs/dbraw/zinc/68/28/89/948682889.db2.gz KERHOSWNGOIIBJ-WQAKAFBOSA-N -1 3 385.407 0.997 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573746815 948685586 /nfs/dbraw/zinc/68/55/86/948685586.db2.gz LKFCYLMQDCCKQC-YUSALJHKSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573746815 948685591 /nfs/dbraw/zinc/68/55/91/948685591.db2.gz LKFCYLMQDCCKQC-YUSALJHKSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573748041 948694776 /nfs/dbraw/zinc/69/47/76/948694776.db2.gz QZAFTKFHAQJTRL-YUSALJHKSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573748041 948694783 /nfs/dbraw/zinc/69/47/83/948694783.db2.gz QZAFTKFHAQJTRL-YUSALJHKSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)n1cncn1 ZINC001573749358 948699870 /nfs/dbraw/zinc/69/98/70/948699870.db2.gz ZALQHTRQUIQHJM-IEBDPFPHSA-N -1 3 388.823 0.827 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)n1cncn1 ZINC001573749358 948699874 /nfs/dbraw/zinc/69/98/74/948699874.db2.gz ZALQHTRQUIQHJM-IEBDPFPHSA-N -1 3 388.823 0.827 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)C(C)(F)F ZINC001573751615 948703315 /nfs/dbraw/zinc/70/33/15/948703315.db2.gz BYSMUJLLSFRUDG-QAHWYCSRSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)C(C)(F)F ZINC001573751615 948703322 /nfs/dbraw/zinc/70/33/22/948703322.db2.gz BYSMUJLLSFRUDG-QAHWYCSRSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)[C@H]1CCC(=O)N1 ZINC001573753927 948722741 /nfs/dbraw/zinc/72/27/41/948722741.db2.gz YKXDPNIHTWBILN-PRULPYPASA-N -1 3 387.419 0.980 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)[C@H]1CCC(=O)N1 ZINC001573753927 948722745 /nfs/dbraw/zinc/72/27/45/948722745.db2.gz YKXDPNIHTWBILN-PRULPYPASA-N -1 3 387.419 0.980 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001574416071 948743233 /nfs/dbraw/zinc/74/32/33/948743233.db2.gz OMASIOHCCCHCGX-CQSZACIVSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001574416071 948743244 /nfs/dbraw/zinc/74/32/44/948743244.db2.gz OMASIOHCCCHCGX-CQSZACIVSA-N -1 3 382.428 0.983 20 0 GCADHM C[C@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574914404 948748665 /nfs/dbraw/zinc/74/86/65/948748665.db2.gz INWUXOBLRNZGLY-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CNC(=O)CCc1cccnc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574914404 948748676 /nfs/dbraw/zinc/74/86/76/948748676.db2.gz INWUXOBLRNZGLY-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccccn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574914641 948751138 /nfs/dbraw/zinc/75/11/38/948751138.db2.gz LQYHJQTWAAGBQT-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccccn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574914641 948751145 /nfs/dbraw/zinc/75/11/45/948751145.db2.gz LQYHJQTWAAGBQT-LBPRGKRZSA-N -1 3 382.428 0.705 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001575221806 948751390 /nfs/dbraw/zinc/75/13/90/948751390.db2.gz CXEUNYTVTBQRBU-VIFPVBQESA-N -1 3 385.350 0.725 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001575221806 948751397 /nfs/dbraw/zinc/75/13/97/948751397.db2.gz CXEUNYTVTBQRBU-VIFPVBQESA-N -1 3 385.350 0.725 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001574416551 948751643 /nfs/dbraw/zinc/75/16/43/948751643.db2.gz XRMFOAFPOSSSRY-CQSZACIVSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001574416551 948751652 /nfs/dbraw/zinc/75/16/52/948751652.db2.gz XRMFOAFPOSSSRY-CQSZACIVSA-N -1 3 382.428 0.983 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001575221805 948752688 /nfs/dbraw/zinc/75/26/88/948752688.db2.gz CXEUNYTVTBQRBU-SECBINFHSA-N -1 3 385.350 0.725 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001575221805 948752700 /nfs/dbraw/zinc/75/27/00/948752700.db2.gz CXEUNYTVTBQRBU-SECBINFHSA-N -1 3 385.350 0.725 20 0 GCADHM CC(C)c1ccc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001574416609 948754060 /nfs/dbraw/zinc/75/40/60/948754060.db2.gz ZNVOYYLBAONEDH-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM CC(C)c1ccc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001574416609 948754069 /nfs/dbraw/zinc/75/40/69/948754069.db2.gz ZNVOYYLBAONEDH-UHFFFAOYSA-N -1 3 380.412 0.968 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001573755115 948754440 /nfs/dbraw/zinc/75/44/40/948754440.db2.gz ANOBXCSYPCVCPW-BTJLNZGRSA-N -1 3 390.469 0.560 20 0 GCADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001573755115 948754450 /nfs/dbraw/zinc/75/44/50/948754450.db2.gz ANOBXCSYPCVCPW-BTJLNZGRSA-N -1 3 390.469 0.560 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)CC1 ZINC001575222271 948758506 /nfs/dbraw/zinc/75/85/06/948758506.db2.gz HPCWKSJGIIUPGY-VXGBXAGGSA-N -1 3 379.371 0.363 20 0 GCADHM CC(F)(F)C1(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)CC1 ZINC001575222271 948758514 /nfs/dbraw/zinc/75/85/14/948758514.db2.gz HPCWKSJGIIUPGY-VXGBXAGGSA-N -1 3 379.371 0.363 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001574416761 948760810 /nfs/dbraw/zinc/76/08/10/948760810.db2.gz GYEYRMREURSRRZ-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001574416761 948760822 /nfs/dbraw/zinc/76/08/22/948760822.db2.gz GYEYRMREURSRRZ-CYBMUJFWSA-N -1 3 382.428 0.983 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001575223333 948764747 /nfs/dbraw/zinc/76/47/47/948764747.db2.gz AHNSHGBSZDCUMV-PHIMTYICSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001575223333 948764756 /nfs/dbraw/zinc/76/47/56/948764756.db2.gz AHNSHGBSZDCUMV-PHIMTYICSA-N -1 3 379.371 0.771 20 0 GCADHM CC(F)(F)CC(=O)NC1(CO)CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001575223733 948770810 /nfs/dbraw/zinc/77/08/10/948770810.db2.gz DSWGFBGIYIARTP-UHFFFAOYSA-N -1 3 381.387 0.755 20 0 GCADHM CC(F)(F)CC(=O)NC1(CO)CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001575223733 948770822 /nfs/dbraw/zinc/77/08/22/948770822.db2.gz DSWGFBGIYIARTP-UHFFFAOYSA-N -1 3 381.387 0.755 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574079721 948778355 /nfs/dbraw/zinc/77/83/55/948778355.db2.gz GBUOKORUEZMPDU-GXFFZTMASA-N -1 3 379.396 0.146 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574079721 948778367 /nfs/dbraw/zinc/77/83/67/948778367.db2.gz GBUOKORUEZMPDU-GXFFZTMASA-N -1 3 379.396 0.146 20 0 GCADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574916551 948779284 /nfs/dbraw/zinc/77/92/84/948779284.db2.gz DGAVIEJBNIRORK-JTQLQIEISA-N -1 3 388.411 0.326 20 0 GCADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574916551 948779297 /nfs/dbraw/zinc/77/92/97/948779297.db2.gz DGAVIEJBNIRORK-JTQLQIEISA-N -1 3 388.411 0.326 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001575224244 948780982 /nfs/dbraw/zinc/78/09/82/948780982.db2.gz KRAYRCROWKDWIW-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001575224244 948780985 /nfs/dbraw/zinc/78/09/85/948780985.db2.gz KRAYRCROWKDWIW-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)CC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575224410 948784457 /nfs/dbraw/zinc/78/44/57/948784457.db2.gz MWOYLSPVDAOMSY-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)CC(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575224410 948784468 /nfs/dbraw/zinc/78/44/68/948784468.db2.gz MWOYLSPVDAOMSY-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001574080194 948785019 /nfs/dbraw/zinc/78/50/19/948785019.db2.gz JUSPRQFHAWUGIC-ILXRZTDVSA-N -1 3 380.399 0.661 20 0 GCADHM CC(C)[C@H](F)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001574080194 948785031 /nfs/dbraw/zinc/78/50/31/948785031.db2.gz JUSPRQFHAWUGIC-ILXRZTDVSA-N -1 3 380.399 0.661 20 0 GCADHM C[C@H](C(N)=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573755870 948785238 /nfs/dbraw/zinc/78/52/38/948785238.db2.gz UJTHPJCWIVYCSP-PVXIVEMSSA-N -1 3 394.439 0.266 20 0 GCADHM C[C@H](C(N)=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573755870 948785251 /nfs/dbraw/zinc/78/52/51/948785251.db2.gz UJTHPJCWIVYCSP-PVXIVEMSSA-N -1 3 394.439 0.266 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1 ZINC001574080168 948786172 /nfs/dbraw/zinc/78/61/72/948786172.db2.gz IWMORIHKNAEXLJ-GXTWGEPZSA-N -1 3 377.424 0.967 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1 ZINC001574080168 948786185 /nfs/dbraw/zinc/78/61/85/948786185.db2.gz IWMORIHKNAEXLJ-GXTWGEPZSA-N -1 3 377.424 0.967 20 0 GCADHM C[C@@H](C(N)=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573755869 948787030 /nfs/dbraw/zinc/78/70/30/948787030.db2.gz UJTHPJCWIVYCSP-DETPVDSQSA-N -1 3 394.439 0.266 20 0 GCADHM C[C@@H](C(N)=O)N1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573755869 948787045 /nfs/dbraw/zinc/78/70/45/948787045.db2.gz UJTHPJCWIVYCSP-DETPVDSQSA-N -1 3 394.439 0.266 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574916764 948789497 /nfs/dbraw/zinc/78/94/97/948789497.db2.gz JCVWHJFHMIBDRV-NSHDSACASA-N -1 3 387.423 0.708 20 0 GCADHM C[C@@H](CNC(=O)CCc1ccnn1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574916764 948789515 /nfs/dbraw/zinc/78/95/15/948789515.db2.gz JCVWHJFHMIBDRV-NSHDSACASA-N -1 3 387.423 0.708 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001574080456 948792452 /nfs/dbraw/zinc/79/24/52/948792452.db2.gz LGBUQUFMZQBGJJ-WCQYABFASA-N -1 3 381.387 0.716 20 0 GCADHM CC(C)[C@@H](F)C(=O)NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001574080456 948792457 /nfs/dbraw/zinc/79/24/57/948792457.db2.gz LGBUQUFMZQBGJJ-WCQYABFASA-N -1 3 381.387 0.716 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575224784 948794622 /nfs/dbraw/zinc/79/46/22/948794622.db2.gz YXIHPDOKVVSJMY-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575224784 948794635 /nfs/dbraw/zinc/79/46/35/948794635.db2.gz YXIHPDOKVVSJMY-JTQLQIEISA-N -1 3 379.371 0.961 20 0 GCADHM CC(C)c1cccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)n1 ZINC001574420526 948800438 /nfs/dbraw/zinc/80/04/38/948800438.db2.gz WMZOBGILZGWGJT-HZPDHXFCSA-N -1 3 394.439 0.760 20 0 GCADHM CC(C)c1cccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)n1 ZINC001574420526 948800457 /nfs/dbraw/zinc/80/04/57/948800457.db2.gz WMZOBGILZGWGJT-HZPDHXFCSA-N -1 3 394.439 0.760 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@H](O)[C@@H](CO)C1 ZINC001573756295 948807953 /nfs/dbraw/zinc/80/79/53/948807953.db2.gz YSJPKYOQNVRMFT-FOGDFJRCSA-N -1 3 392.485 0.419 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@H](O)[C@@H](CO)C1 ZINC001573756295 948807991 /nfs/dbraw/zinc/80/79/91/948807991.db2.gz YSJPKYOQNVRMFT-FOGDFJRCSA-N -1 3 392.485 0.419 20 0 GCADHM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)c1cc(CN(C)C)on1 ZINC001574681325 948814009 /nfs/dbraw/zinc/81/40/09/948814009.db2.gz LJXCOYUKZKVZEF-SNVBAGLBSA-N -1 3 386.420 0.327 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575226438 948816341 /nfs/dbraw/zinc/81/63/41/948816341.db2.gz MDCXSJZWTKJRBI-RTCCRHLQSA-N -1 3 379.371 0.674 20 0 GCADHM CC(F)(F)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575226438 948816357 /nfs/dbraw/zinc/81/63/57/948816357.db2.gz MDCXSJZWTKJRBI-RTCCRHLQSA-N -1 3 379.371 0.674 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCCO1 ZINC001573761084 948833843 /nfs/dbraw/zinc/83/38/43/948833843.db2.gz AQDCHPUINGYTMD-CQSZACIVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCCO1 ZINC001573761084 948833857 /nfs/dbraw/zinc/83/38/57/948833857.db2.gz AQDCHPUINGYTMD-CQSZACIVSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)c1cnc(CNCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001574424142 948842950 /nfs/dbraw/zinc/84/29/50/948842950.db2.gz GFEOFELAXZKLAD-UHFFFAOYSA-N -1 3 388.432 0.531 20 0 GCADHM CC(C)c1cnc(CNCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001574424142 948842960 /nfs/dbraw/zinc/84/29/60/948842960.db2.gz GFEOFELAXZKLAD-UHFFFAOYSA-N -1 3 388.432 0.531 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574918474 948845040 /nfs/dbraw/zinc/84/50/40/948845040.db2.gz KWJSFFDWVYCJHM-ZDUSSCGKSA-N -1 3 382.428 0.820 20 0 GCADHM C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574918474 948845057 /nfs/dbraw/zinc/84/50/57/948845057.db2.gz KWJSFFDWVYCJHM-ZDUSSCGKSA-N -1 3 382.428 0.820 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H](O)C2)CC1 ZINC001574082105 948850296 /nfs/dbraw/zinc/85/02/96/948850296.db2.gz AKHKGBXFAHHITC-BXUZGUMPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H](O)C2)CC1 ZINC001574082105 948850314 /nfs/dbraw/zinc/85/03/14/948850314.db2.gz AKHKGBXFAHHITC-BXUZGUMPSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cncn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574918498 948851546 /nfs/dbraw/zinc/85/15/46/948851546.db2.gz LQYPHEXWIHYYJT-NSHDSACASA-N -1 3 388.411 0.637 20 0 GCADHM C[C@@H](CNC(=O)CCCn1cncn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574918498 948851562 /nfs/dbraw/zinc/85/15/62/948851562.db2.gz LQYPHEXWIHYYJT-NSHDSACASA-N -1 3 388.411 0.637 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CCOCC1 ZINC001573762389 948854372 /nfs/dbraw/zinc/85/43/72/948854372.db2.gz VQJLXWYOEDOSOF-UHFFFAOYSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CCOCC1 ZINC001573762389 948854394 /nfs/dbraw/zinc/85/43/94/948854394.db2.gz VQJLXWYOEDOSOF-UHFFFAOYSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574684074 948855272 /nfs/dbraw/zinc/85/52/72/948855272.db2.gz BCHNSLLVEUTLFG-MRVPVSSYSA-N -1 3 391.823 0.975 20 0 GCADHM CC(C)C1(C(=O)N2CCO[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001574082502 948857952 /nfs/dbraw/zinc/85/79/52/948857952.db2.gz FOCJRDXZAQQFEQ-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)C1(C(=O)N2CCO[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001574082502 948857976 /nfs/dbraw/zinc/85/79/76/948857976.db2.gz FOCJRDXZAQQFEQ-ZDUSSCGKSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)CCS(N)(=O)=O ZINC001574082728 948862569 /nfs/dbraw/zinc/86/25/69/948862569.db2.gz HZOFAWJSOJGKJE-ZDUSSCGKSA-N -1 3 382.446 0.017 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)CCS(N)(=O)=O ZINC001574082728 948862595 /nfs/dbraw/zinc/86/25/95/948862595.db2.gz HZOFAWJSOJGKJE-ZDUSSCGKSA-N -1 3 382.446 0.017 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CC1 ZINC001574082778 948864287 /nfs/dbraw/zinc/86/42/87/948864287.db2.gz JPNJTFSSIBLDPV-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CC1 ZINC001574082778 948864306 /nfs/dbraw/zinc/86/43/06/948864306.db2.gz JPNJTFSSIBLDPV-JSGCOSHPSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CS(C)(=O)=O ZINC001574684305 948865215 /nfs/dbraw/zinc/86/52/15/948865215.db2.gz DLJFQVBAFULLBE-QMMMGPOBSA-N -1 3 387.853 0.266 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574684290 948866387 /nfs/dbraw/zinc/86/63/87/948866387.db2.gz DEVCBFZZFVTASC-NXEZZACHSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574684290 948866400 /nfs/dbraw/zinc/86/64/00/948866400.db2.gz DEVCBFZZFVTASC-NXEZZACHSA-N -1 3 392.851 0.748 20 0 GCADHM CC(C)C1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574083020 948873027 /nfs/dbraw/zinc/87/30/27/948873027.db2.gz NWURWKHTSDMJQO-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)C1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574083020 948873044 /nfs/dbraw/zinc/87/30/44/948873044.db2.gz NWURWKHTSDMJQO-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001574083013 948873698 /nfs/dbraw/zinc/87/36/98/948873698.db2.gz NTSYBNNENOOQLQ-AWEZNQCLSA-N -1 3 398.427 0.129 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC001574083013 948873716 /nfs/dbraw/zinc/87/37/16/948873716.db2.gz NTSYBNNENOOQLQ-AWEZNQCLSA-N -1 3 398.427 0.129 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CCn1ccnn1 ZINC001574684547 948875324 /nfs/dbraw/zinc/87/53/24/948875324.db2.gz IBNZTTXAORPFJK-JTQLQIEISA-N -1 3 390.839 0.904 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CCn1ccnn1 ZINC001574684547 948875346 /nfs/dbraw/zinc/87/53/46/948875346.db2.gz IBNZTTXAORPFJK-JTQLQIEISA-N -1 3 390.839 0.904 20 0 GCADHM CC(C)C1(C(=O)N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001574083196 948877383 /nfs/dbraw/zinc/87/73/83/948877383.db2.gz PYCLQHGNTGBQDF-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)C1(C(=O)N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001574083196 948877399 /nfs/dbraw/zinc/87/73/99/948877399.db2.gz PYCLQHGNTGBQDF-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)CCc1cscn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920029 948880577 /nfs/dbraw/zinc/88/05/77/948880577.db2.gz AOZGJJSLYLSRRN-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)CCc1cscn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920029 948880598 /nfs/dbraw/zinc/88/05/98/948880598.db2.gz AOZGJJSLYLSRRN-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)c1nc(CCNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)n(C)n1 ZINC001574425659 948882010 /nfs/dbraw/zinc/88/20/10/948882010.db2.gz JCTBOLARTHEHEV-UHFFFAOYSA-N -1 3 390.473 0.781 20 0 GCADHM CC(C)c1nc(CCNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC001574425659 948882028 /nfs/dbraw/zinc/88/20/28/948882028.db2.gz JCTBOLARTHEHEV-UHFFFAOYSA-N -1 3 390.473 0.781 20 0 GCADHM CC(C)c1nnc(CN2CC[C@@](C)(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]1 ZINC001574425804 948885204 /nfs/dbraw/zinc/88/52/04/948885204.db2.gz NTHLIEWRIBFBDL-QGZVFWFLSA-N -1 3 384.448 0.831 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1cnc[nH]1 ZINC001573764311 948887298 /nfs/dbraw/zinc/88/72/98/948887298.db2.gz MGTQDPZIWMXRJN-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1cnc[nH]1 ZINC001573764311 948887310 /nfs/dbraw/zinc/88/73/10/948887310.db2.gz MGTQDPZIWMXRJN-LLVKDONJSA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1cnc[nH]1 ZINC001573764312 948887377 /nfs/dbraw/zinc/88/73/77/948887377.db2.gz MGTQDPZIWMXRJN-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM CC(C)(C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1cnc[nH]1 ZINC001573764312 948887393 /nfs/dbraw/zinc/88/73/93/948887393.db2.gz MGTQDPZIWMXRJN-NSHDSACASA-N -1 3 382.432 0.761 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574684758 948887746 /nfs/dbraw/zinc/88/77/46/948887746.db2.gz MBBBMMYHUZPKRK-DYZYQPBXSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574684758 948887763 /nfs/dbraw/zinc/88/77/63/948887763.db2.gz MBBBMMYHUZPKRK-DYZYQPBXSA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CC1 ZINC001574083464 948888063 /nfs/dbraw/zinc/88/80/63/948888063.db2.gz TXQPYTWUPZDZPK-KRWDZBQOSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)C1(C(=O)N2CC[C@](O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001574083464 948888077 /nfs/dbraw/zinc/88/80/77/948888077.db2.gz TXQPYTWUPZDZPK-KRWDZBQOSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1)C1CC1 ZINC001573764353 948889681 /nfs/dbraw/zinc/88/96/81/948889681.db2.gz NRLGONMJRUCIOI-BXUZGUMPSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1)C1CC1 ZINC001573764353 948889704 /nfs/dbraw/zinc/88/97/04/948889704.db2.gz NRLGONMJRUCIOI-BXUZGUMPSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574684887 948889969 /nfs/dbraw/zinc/88/99/69/948889969.db2.gz OLZBVNLFKCBFGF-UWVGGRQHSA-N -1 3 392.851 0.748 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CCC(=O)NC1 ZINC001574684887 948889984 /nfs/dbraw/zinc/88/99/84/948889984.db2.gz OLZBVNLFKCBFGF-UWVGGRQHSA-N -1 3 392.851 0.748 20 0 GCADHM CC(C)c1nc(CNC[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001574427121 948898681 /nfs/dbraw/zinc/89/86/81/948898681.db2.gz AAALUPSFNZPZQL-XYPYZODXSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1nc(CNC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001574427121 948898696 /nfs/dbraw/zinc/89/86/96/948898696.db2.gz AAALUPSFNZPZQL-XYPYZODXSA-N -1 3 385.432 0.999 20 0 GCADHM CC(F)(F)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575234376 948900408 /nfs/dbraw/zinc/90/04/08/948900408.db2.gz BLEBENPSXZYPBH-IWIIMEHWSA-N -1 3 379.371 0.817 20 0 GCADHM CC(F)(F)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575234376 948900414 /nfs/dbraw/zinc/90/04/14/948900414.db2.gz BLEBENPSXZYPBH-IWIIMEHWSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574920458 948900778 /nfs/dbraw/zinc/90/07/78/948900778.db2.gz LTROFGCNOLGJSZ-LLVKDONJSA-N -1 3 387.423 0.708 20 0 GCADHM C[C@H](CNC(=O)CCc1cnn(C)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574920458 948900786 /nfs/dbraw/zinc/90/07/86/948900786.db2.gz LTROFGCNOLGJSZ-LLVKDONJSA-N -1 3 387.423 0.708 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)CCn1cnnn1 ZINC001574685200 948902930 /nfs/dbraw/zinc/90/29/30/948902930.db2.gz SKOKQMIUMVUOSM-SECBINFHSA-N -1 3 391.827 0.299 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)CCn1cnnn1 ZINC001574685200 948902941 /nfs/dbraw/zinc/90/29/41/948902941.db2.gz SKOKQMIUMVUOSM-SECBINFHSA-N -1 3 391.827 0.299 20 0 GCADHM CC(C)c1nccc(NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574427373 948903496 /nfs/dbraw/zinc/90/34/96/948903496.db2.gz CYPHGSNKNUJUDX-UHFFFAOYSA-N -1 3 385.432 0.655 20 0 GCADHM CC(C)c1nccc(NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574427373 948903504 /nfs/dbraw/zinc/90/35/04/948903504.db2.gz CYPHGSNKNUJUDX-UHFFFAOYSA-N -1 3 385.432 0.655 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)C[C@H]1CCN(C)C1=O ZINC001574685083 948903658 /nfs/dbraw/zinc/90/36/58/948903658.db2.gz SAQJTSNLOFECEF-WDEREUQCSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)C[C@H]1CCN(C)C1=O ZINC001574685083 948903671 /nfs/dbraw/zinc/90/36/71/948903671.db2.gz SAQJTSNLOFECEF-WDEREUQCSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CNC(=O)CCc1cscn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920655 948905061 /nfs/dbraw/zinc/90/50/61/948905061.db2.gz NTEWXGMVOWEMQG-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@H](CNC(=O)CCc1cscn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920655 948905074 /nfs/dbraw/zinc/90/50/74/948905074.db2.gz NTEWXGMVOWEMQG-SNVBAGLBSA-N -1 3 388.457 0.766 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920630 948906643 /nfs/dbraw/zinc/90/66/43/948906643.db2.gz NHLRDGMYKXTGEG-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920630 948906649 /nfs/dbraw/zinc/90/66/49/948906649.db2.gz NHLRDGMYKXTGEG-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574685466 948912312 /nfs/dbraw/zinc/91/23/12/948912312.db2.gz XAZXPNVJLCRHNM-BMLIUANNSA-N -1 3 390.423 0.624 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574685466 948912322 /nfs/dbraw/zinc/91/23/22/948912322.db2.gz XAZXPNVJLCRHNM-BMLIUANNSA-N -1 3 390.423 0.624 20 0 GCADHM CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCOCC1 ZINC001573765522 948914453 /nfs/dbraw/zinc/91/44/53/948914453.db2.gz LIADGZWLAGFIBH-UHFFFAOYSA-N -1 3 386.460 0.021 20 0 GCADHM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCOCC1 ZINC001573765522 948914459 /nfs/dbraw/zinc/91/44/59/948914459.db2.gz LIADGZWLAGFIBH-UHFFFAOYSA-N -1 3 386.460 0.021 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574921206 948916902 /nfs/dbraw/zinc/91/69/02/948916902.db2.gz VEJGSCOWEONWGQ-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM C[C@@H](CNC(=O)CCc1nccn1C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574921206 948916910 /nfs/dbraw/zinc/91/69/10/948916910.db2.gz VEJGSCOWEONWGQ-NSHDSACASA-N -1 3 385.432 0.043 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCO1 ZINC001574088293 948918037 /nfs/dbraw/zinc/91/80/37/948918037.db2.gz AJOHFZISTWAGEK-NHYWBVRUSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCO1 ZINC001574088293 948918048 /nfs/dbraw/zinc/91/80/48/948918048.db2.gz AJOHFZISTWAGEK-NHYWBVRUSA-N -1 3 387.444 0.587 20 0 GCADHM CC(C)c1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574427862 948918679 /nfs/dbraw/zinc/91/86/79/948918679.db2.gz SVGDVMDXMDXPAD-CHWSQXEVSA-N -1 3 383.416 0.088 20 0 GCADHM CC(C)c1nccc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574427862 948918698 /nfs/dbraw/zinc/91/86/98/948918698.db2.gz SVGDVMDXMDXPAD-CHWSQXEVSA-N -1 3 383.416 0.088 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574921365 948922043 /nfs/dbraw/zinc/92/20/43/948922043.db2.gz VQENCXDLPMNBDK-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)CCc1cncs1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574921365 948922054 /nfs/dbraw/zinc/92/20/54/948922054.db2.gz VQENCXDLPMNBDK-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574431798 948925090 /nfs/dbraw/zinc/92/50/90/948925090.db2.gz BNFSXNUXRCBXNN-LBPRGKRZSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574431798 948925099 /nfs/dbraw/zinc/92/50/99/948925099.db2.gz BNFSXNUXRCBXNN-LBPRGKRZSA-N -1 3 384.448 0.618 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001574432218 948928273 /nfs/dbraw/zinc/92/82/73/948928273.db2.gz FQDVDRQDYHHNIN-LBPRGKRZSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001574432218 948928276 /nfs/dbraw/zinc/92/82/76/948928276.db2.gz FQDVDRQDYHHNIN-LBPRGKRZSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)c1nccn1CC(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574432219 948928957 /nfs/dbraw/zinc/92/89/57/948928957.db2.gz FRFQEBDRDINFLJ-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1c[nH]c(=O)n1C ZINC001574686215 948931086 /nfs/dbraw/zinc/93/10/86/948931086.db2.gz GPMQYGWFAAGYKL-QMMMGPOBSA-N -1 3 375.368 0.460 20 0 GCADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1c[nH]c(=O)n1C ZINC001574686215 948931095 /nfs/dbraw/zinc/93/10/95/948931095.db2.gz GPMQYGWFAAGYKL-QMMMGPOBSA-N -1 3 375.368 0.460 20 0 GCADHM CC(C)c1ncncc1C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574432261 948932477 /nfs/dbraw/zinc/93/24/77/948932477.db2.gz HHGYZDUYRBQPCN-UHFFFAOYSA-N -1 3 381.400 0.363 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574923049 948932639 /nfs/dbraw/zinc/93/26/39/948932639.db2.gz BYEXFIPKLHAFCS-JTQLQIEISA-N -1 3 390.423 0.210 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574923049 948932644 /nfs/dbraw/zinc/93/26/44/948932644.db2.gz BYEXFIPKLHAFCS-JTQLQIEISA-N -1 3 390.423 0.210 20 0 GCADHM CC(C)c1ncncc1C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574432261 948932490 /nfs/dbraw/zinc/93/24/90/948932490.db2.gz HHGYZDUYRBQPCN-UHFFFAOYSA-N -1 3 381.400 0.363 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN(C)C(=O)C1CC1 ZINC001574686553 948935031 /nfs/dbraw/zinc/93/50/31/948935031.db2.gz JJTPCZBRNQQSBU-SNVBAGLBSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN(C)C(=O)C1CC1 ZINC001574686553 948935042 /nfs/dbraw/zinc/93/50/42/948935042.db2.gz JJTPCZBRNQQSBU-SNVBAGLBSA-N -1 3 390.423 0.576 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001574089050 948941008 /nfs/dbraw/zinc/94/10/08/948941008.db2.gz FVLMCUQZLNXBAR-LSDHHAIUSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001574089050 948941022 /nfs/dbraw/zinc/94/10/22/948941022.db2.gz FVLMCUQZLNXBAR-LSDHHAIUSA-N -1 3 388.447 0.961 20 0 GCADHM CC(C)c1nnc(CN2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001574433152 948949297 /nfs/dbraw/zinc/94/92/97/948949297.db2.gz IZFQBGIAKAUVRD-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001574433152 948949313 /nfs/dbraw/zinc/94/93/13/948949313.db2.gz IZFQBGIAKAUVRD-JTQLQIEISA-N -1 3 385.432 0.952 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574687492 948952269 /nfs/dbraw/zinc/95/22/69/948952269.db2.gz PNOUDWWASOCFMA-ABKXIKBNSA-N -1 3 376.396 0.376 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574687492 948952281 /nfs/dbraw/zinc/95/22/81/948952281.db2.gz PNOUDWWASOCFMA-ABKXIKBNSA-N -1 3 376.396 0.376 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CCCCCC1=O ZINC001574687705 948953295 /nfs/dbraw/zinc/95/32/95/948953295.db2.gz QXWLYXXLSHLGDW-CYBMUJFWSA-N -1 3 386.460 0.971 20 0 GCADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CCCCCC1=O ZINC001574687705 948953305 /nfs/dbraw/zinc/95/33/05/948953305.db2.gz QXWLYXXLSHLGDW-CYBMUJFWSA-N -1 3 386.460 0.971 20 0 GCADHM CC(C)(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)F ZINC001573772296 948955439 /nfs/dbraw/zinc/95/54/39/948955439.db2.gz TUFKPRIBTGQJOW-VROVMSAKSA-N -1 3 379.371 0.673 20 0 GCADHM CC(C)(C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)F ZINC001573772296 948955447 /nfs/dbraw/zinc/95/54/47/948955447.db2.gz TUFKPRIBTGQJOW-VROVMSAKSA-N -1 3 379.371 0.673 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574923693 948956443 /nfs/dbraw/zinc/95/64/43/948956443.db2.gz RFUGOIGTNJUJJD-JTQLQIEISA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574923693 948956454 /nfs/dbraw/zinc/95/64/54/948956454.db2.gz RFUGOIGTNJUJJD-JTQLQIEISA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CCCS(C)(=O)=O ZINC001574687857 948956816 /nfs/dbraw/zinc/95/68/16/948956816.db2.gz RIDIJQHYZPJNJP-NSHDSACASA-N -1 3 381.462 0.393 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CCCS(C)(=O)=O ZINC001574687857 948956827 /nfs/dbraw/zinc/95/68/27/948956827.db2.gz RIDIJQHYZPJNJP-NSHDSACASA-N -1 3 381.462 0.393 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574688302 948958398 /nfs/dbraw/zinc/95/83/98/948958398.db2.gz STTPCQUMCGMONJ-WDEREUQCSA-N -1 3 379.446 0.003 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001574688302 948958408 /nfs/dbraw/zinc/95/84/08/948958408.db2.gz STTPCQUMCGMONJ-WDEREUQCSA-N -1 3 379.446 0.003 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574089555 948960476 /nfs/dbraw/zinc/96/04/76/948960476.db2.gz FJJSOWYPZDQUAZ-WFASDCNBSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)[C@@H]1C[C@@H](C(=O)N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574089555 948960485 /nfs/dbraw/zinc/96/04/85/948960485.db2.gz FJJSOWYPZDQUAZ-WFASDCNBSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCC1 ZINC001573772426 948960658 /nfs/dbraw/zinc/96/06/58/948960658.db2.gz BQTLTQVSHNXFQN-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCC1 ZINC001573772426 948960671 /nfs/dbraw/zinc/96/06/71/948960671.db2.gz BQTLTQVSHNXFQN-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574923874 948961168 /nfs/dbraw/zinc/96/11/68/948961168.db2.gz SWOVFBKOMUUTEC-CYBMUJFWSA-N -1 3 382.428 0.678 20 0 GCADHM C[C@H](CNC(=O)CCn1ccccc1=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574923874 948961183 /nfs/dbraw/zinc/96/11/83/948961183.db2.gz SWOVFBKOMUUTEC-CYBMUJFWSA-N -1 3 382.428 0.678 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574433612 948961282 /nfs/dbraw/zinc/96/12/82/948961282.db2.gz ZAWHVVGNPVQWNH-UHFFFAOYSA-N -1 3 382.432 0.325 20 0 GCADHM CC(C)c1nccn1CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001574433612 948961293 /nfs/dbraw/zinc/96/12/93/948961293.db2.gz ZAWHVVGNPVQWNH-UHFFFAOYSA-N -1 3 382.432 0.325 20 0 GCADHM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574924088 948964119 /nfs/dbraw/zinc/96/41/19/948964119.db2.gz VPUWPZXEEMTMEM-GFCCVEGCSA-N -1 3 383.416 0.073 20 0 GCADHM C[C@H](CNC(=O)CCn1cnccc1=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574924088 948964128 /nfs/dbraw/zinc/96/41/28/948964128.db2.gz VPUWPZXEEMTMEM-GFCCVEGCSA-N -1 3 383.416 0.073 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cccnc1 ZINC001573772794 948967120 /nfs/dbraw/zinc/96/71/20/948967120.db2.gz FCZADUVYXNLTPU-UHFFFAOYSA-N -1 3 380.412 0.508 20 0 GCADHM CC(C)(C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cccnc1 ZINC001573772794 948967135 /nfs/dbraw/zinc/96/71/35/948967135.db2.gz FCZADUVYXNLTPU-UHFFFAOYSA-N -1 3 380.412 0.508 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574433849 948967476 /nfs/dbraw/zinc/96/74/76/948967476.db2.gz SKFLQSIMAZCWBI-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574433849 948967487 /nfs/dbraw/zinc/96/74/87/948967487.db2.gz SKFLQSIMAZCWBI-JTQLQIEISA-N -1 3 385.432 0.600 20 0 GCADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574688833 948968958 /nfs/dbraw/zinc/96/89/58/948968958.db2.gz ZYDUKFSRSLUESQ-BXKDBHETSA-N -1 3 376.396 0.376 20 0 GCADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574688833 948968968 /nfs/dbraw/zinc/96/89/68/948968968.db2.gz ZYDUKFSRSLUESQ-BXKDBHETSA-N -1 3 376.396 0.376 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001574688801 948970254 /nfs/dbraw/zinc/97/02/54/948970254.db2.gz ZKLZKPXUGNDGLW-QWRGUYRKSA-N -1 3 381.462 0.249 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001574688801 948970262 /nfs/dbraw/zinc/97/02/62/948970262.db2.gz ZKLZKPXUGNDGLW-QWRGUYRKSA-N -1 3 381.462 0.249 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001574089905 948970940 /nfs/dbraw/zinc/97/09/40/948970940.db2.gz JIVBGXGOIVXINR-CVEARBPZSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001574089905 948970950 /nfs/dbraw/zinc/97/09/50/948970950.db2.gz JIVBGXGOIVXINR-CVEARBPZSA-N -1 3 384.488 0.792 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCCCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574433979 948974046 /nfs/dbraw/zinc/97/40/46/948974046.db2.gz BEIHYFHIQHPUFO-UHFFFAOYSA-N -1 3 385.436 0.014 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCCCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574433979 948974065 /nfs/dbraw/zinc/97/40/65/948974065.db2.gz BEIHYFHIQHPUFO-UHFFFAOYSA-N -1 3 385.436 0.014 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574434192 948975925 /nfs/dbraw/zinc/97/59/25/948975925.db2.gz ZCKQAJUYAVSLSZ-GFCCVEGCSA-N -1 3 385.432 0.321 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574434192 948975933 /nfs/dbraw/zinc/97/59/33/948975933.db2.gz ZCKQAJUYAVSLSZ-GFCCVEGCSA-N -1 3 385.432 0.321 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cn2c(n1)COCC2 ZINC001574689296 948979502 /nfs/dbraw/zinc/97/95/02/948979502.db2.gz FJAIWXKVVHTNBJ-NSHDSACASA-N -1 3 383.416 0.609 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cn2c(n1)COCC2 ZINC001574689296 948979517 /nfs/dbraw/zinc/97/95/17/948979517.db2.gz FJAIWXKVVHTNBJ-NSHDSACASA-N -1 3 383.416 0.609 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001574434633 948984466 /nfs/dbraw/zinc/98/44/66/948984466.db2.gz LFLROORZAJJJTI-UHFFFAOYSA-N -1 3 383.420 0.133 20 0 GCADHM CC(C)c1nnnn1CC(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001574434633 948984473 /nfs/dbraw/zinc/98/44/73/948984473.db2.gz LFLROORZAJJJTI-UHFFFAOYSA-N -1 3 383.420 0.133 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574090350 948985127 /nfs/dbraw/zinc/98/51/27/948985127.db2.gz ITLRGAGLYKMMCH-QWHCGFSZSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@H]1C[C@H]1C(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574090350 948985138 /nfs/dbraw/zinc/98/51/38/948985138.db2.gz ITLRGAGLYKMMCH-QWHCGFSZSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1)S(C)(=O)=O ZINC001573773605 948986803 /nfs/dbraw/zinc/98/68/03/948986803.db2.gz NAYYVWROSWRZOC-AWEZNQCLSA-N -1 3 392.485 0.380 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573773605 948986815 /nfs/dbraw/zinc/98/68/15/948986815.db2.gz NAYYVWROSWRZOC-AWEZNQCLSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](F)CCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nnn[n-]3)c[nH]1)O2 ZINC001575243138 948990229 /nfs/dbraw/zinc/99/02/29/948990229.db2.gz NKVXZDUENHBGEC-AAEUAGOBSA-N -1 3 377.424 0.906 20 0 GCADHM C[C@H](F)CCN1CC2(C1)CC[C@@H](CNC(=O)c1cc(-c3nn[n-]n3)c[nH]1)O2 ZINC001575243138 948990239 /nfs/dbraw/zinc/99/02/39/948990239.db2.gz NKVXZDUENHBGEC-AAEUAGOBSA-N -1 3 377.424 0.906 20 0 GCADHM CC(C)c1nnc(CN[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)o1 ZINC001574435042 948991839 /nfs/dbraw/zinc/99/18/39/948991839.db2.gz QOLBDKQKHNUDRB-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1nnc(CN[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)o1 ZINC001574435042 948991849 /nfs/dbraw/zinc/99/18/49/948991849.db2.gz QOLBDKQKHNUDRB-GXFFZTMASA-N -1 3 385.432 0.952 20 0 GCADHM C[C@@H](F)CCN1CC(n2cc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)nn2)C1 ZINC001575242787 948992889 /nfs/dbraw/zinc/99/28/89/948992889.db2.gz KZGDSSRHCHMBLK-SNVBAGLBSA-N -1 3 388.411 0.321 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574435335 948993435 /nfs/dbraw/zinc/99/34/35/948993435.db2.gz TUTLLWOZJBSJSA-VIFPVBQESA-N -1 3 389.399 0.128 20 0 GCADHM CC(C)c1nnnn1CC(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574435335 948993450 /nfs/dbraw/zinc/99/34/50/948993450.db2.gz TUTLLWOZJBSJSA-VIFPVBQESA-N -1 3 389.399 0.128 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001574689967 948993982 /nfs/dbraw/zinc/99/39/82/948993982.db2.gz MSPJXDCBGREEEI-JSGCOSHPSA-N -1 3 386.460 0.968 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001574689967 948993993 /nfs/dbraw/zinc/99/39/93/948993993.db2.gz MSPJXDCBGREEEI-JSGCOSHPSA-N -1 3 386.460 0.968 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCC1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574926265 948995325 /nfs/dbraw/zinc/99/53/25/948995325.db2.gz MEVULMHOVCQZMN-LBPRGKRZSA-N -1 3 389.435 0.959 20 0 GCADHM C[C@@H](CNC(=O)CN1CCCCC1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574926265 948995336 /nfs/dbraw/zinc/99/53/36/948995336.db2.gz MEVULMHOVCQZMN-LBPRGKRZSA-N -1 3 389.435 0.959 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574090825 948996852 /nfs/dbraw/zinc/99/68/52/948996852.db2.gz JHUABNQPQNKQQT-OLZOCXBDSA-N -1 3 375.433 0.038 20 0 GCADHM CC(C)[C@H]1C[C@@H]1C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574090825 948996865 /nfs/dbraw/zinc/99/68/65/948996865.db2.gz JHUABNQPQNKQQT-OLZOCXBDSA-N -1 3 375.433 0.038 20 0 GCADHM C[C@@H](F)CCN1CC(n2cc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)nn2)C1 ZINC001575243814 948998804 /nfs/dbraw/zinc/99/88/04/948998804.db2.gz RQZDCOXIDCXCKY-SNVBAGLBSA-N -1 3 388.411 0.321 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574690690 949001374 /nfs/dbraw/zinc/00/13/74/949001374.db2.gz PRBVFQJKYMVRAB-NSHDSACASA-N -1 3 382.432 0.738 20 0 GCADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574690690 949001390 /nfs/dbraw/zinc/00/13/90/949001390.db2.gz PRBVFQJKYMVRAB-NSHDSACASA-N -1 3 382.432 0.738 20 0 GCADHM CC(C)c1nnsc1C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574439146 949003027 /nfs/dbraw/zinc/00/30/27/949003027.db2.gz AVDKAHNPNJMKGV-UHFFFAOYSA-N -1 3 389.445 0.672 20 0 GCADHM CC(C)c1nnsc1C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574439146 949003050 /nfs/dbraw/zinc/00/30/50/949003050.db2.gz AVDKAHNPNJMKGV-UHFFFAOYSA-N -1 3 389.445 0.672 20 0 GCADHM C[C@H](CNC(=O)CN1CCOCC1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574926625 949011780 /nfs/dbraw/zinc/01/17/80/949011780.db2.gz BDWXZERCARDLOY-CYBMUJFWSA-N -1 3 391.451 0.275 20 0 GCADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1c[nH]cn1 ZINC001573774515 949013425 /nfs/dbraw/zinc/01/34/25/949013425.db2.gz TXLBSSTVSLAVDF-LLVKDONJSA-N -1 3 385.407 0.797 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C)n1 ZINC001574439561 949014372 /nfs/dbraw/zinc/01/43/72/949014372.db2.gz HNMPJQGDZDANOV-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CN[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C)n1 ZINC001574439561 949014386 /nfs/dbraw/zinc/01/43/86/949014386.db2.gz HNMPJQGDZDANOV-GWCFXTLKSA-N -1 3 385.432 0.952 20 0 GCADHM CC(C)c1noc(CNC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)n1 ZINC001574439825 949017351 /nfs/dbraw/zinc/01/73/51/949017351.db2.gz JMIDSSVOMMACSS-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM CC(C)c1noc(CNC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)n1 ZINC001574439825 949017369 /nfs/dbraw/zinc/01/73/69/949017369.db2.gz JMIDSSVOMMACSS-CYBMUJFWSA-N -1 3 385.432 0.999 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575502218 949022131 /nfs/dbraw/zinc/02/21/31/949022131.db2.gz IYWBEYNIEABQEX-NEPJUHHUSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575502218 949022148 /nfs/dbraw/zinc/02/21/48/949022148.db2.gz IYWBEYNIEABQEX-NEPJUHHUSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575502221 949023578 /nfs/dbraw/zinc/02/35/78/949023578.db2.gz IYWBEYNIEABQEX-VXGBXAGGSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575502221 949023596 /nfs/dbraw/zinc/02/35/96/949023596.db2.gz IYWBEYNIEABQEX-VXGBXAGGSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574926837 949025377 /nfs/dbraw/zinc/02/53/77/949025377.db2.gz YMPYVYHTRGIXCT-ZDUSSCGKSA-N -1 3 386.460 0.829 20 0 GCADHM C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574926837 949025357 /nfs/dbraw/zinc/02/53/57/949025357.db2.gz YMPYVYHTRGIXCT-ZDUSSCGKSA-N -1 3 386.460 0.829 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574091656 949026829 /nfs/dbraw/zinc/02/68/29/949026829.db2.gz PUYARIPBARSMSS-SCLBCKFNSA-N -1 3 389.460 0.428 20 0 GCADHM CC(C)[C@@]1(C)C[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574091656 949026847 /nfs/dbraw/zinc/02/68/47/949026847.db2.gz PUYARIPBARSMSS-SCLBCKFNSA-N -1 3 389.460 0.428 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574926900 949027284 /nfs/dbraw/zinc/02/72/84/949027284.db2.gz CYIHXVWCXOUIRY-GFCCVEGCSA-N -1 3 387.448 0.008 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574926900 949027305 /nfs/dbraw/zinc/02/73/05/949027305.db2.gz CYIHXVWCXOUIRY-GFCCVEGCSA-N -1 3 387.448 0.008 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574440498 949028802 /nfs/dbraw/zinc/02/88/02/949028802.db2.gz QGXRRMBYTQQUAD-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574440498 949028819 /nfs/dbraw/zinc/02/88/19/949028819.db2.gz QGXRRMBYTQQUAD-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574440523 949030743 /nfs/dbraw/zinc/03/07/43/949030743.db2.gz QSORCCCYIXCFNU-VIFPVBQESA-N -1 3 389.445 0.439 20 0 GCADHM CC(C)c1nnsc1C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574440523 949030761 /nfs/dbraw/zinc/03/07/61/949030761.db2.gz QSORCCCYIXCFNU-VIFPVBQESA-N -1 3 389.445 0.439 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575246493 949034078 /nfs/dbraw/zinc/03/40/78/949034078.db2.gz GRWQCOUVITVERD-GFCCVEGCSA-N -1 3 385.472 0.718 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575246493 949034096 /nfs/dbraw/zinc/03/40/96/949034096.db2.gz GRWQCOUVITVERD-GFCCVEGCSA-N -1 3 385.472 0.718 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575502925 949034845 /nfs/dbraw/zinc/03/48/45/949034845.db2.gz LTKZXTAYWZPVEM-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575502925 949034868 /nfs/dbraw/zinc/03/48/68/949034868.db2.gz LTKZXTAYWZPVEM-GHMZBOCLSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001575503024 949035910 /nfs/dbraw/zinc/03/59/10/949035910.db2.gz NBJJNEOQQFSNDO-RYUDHWBXSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001575503024 949035927 /nfs/dbraw/zinc/03/59/27/949035927.db2.gz NBJJNEOQQFSNDO-RYUDHWBXSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001575503022 949036557 /nfs/dbraw/zinc/03/65/57/949036557.db2.gz NBJJNEOQQFSNDO-NWDGAFQWSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001575503022 949036575 /nfs/dbraw/zinc/03/65/75/949036575.db2.gz NBJJNEOQQFSNDO-NWDGAFQWSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575503043 949037031 /nfs/dbraw/zinc/03/70/31/949037031.db2.gz NKNLATOFCQMWJR-GXTWGEPZSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575503043 949037050 /nfs/dbraw/zinc/03/70/50/949037050.db2.gz NKNLATOFCQMWJR-GXTWGEPZSA-N -1 3 380.412 0.819 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574927184 949037633 /nfs/dbraw/zinc/03/76/33/949037633.db2.gz GQNDNYFUKHFROS-SNVBAGLBSA-N -1 3 386.441 0.670 20 0 GCADHM C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574927184 949037653 /nfs/dbraw/zinc/03/76/53/949037653.db2.gz GQNDNYFUKHFROS-SNVBAGLBSA-N -1 3 386.441 0.670 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001575503020 949037790 /nfs/dbraw/zinc/03/77/90/949037790.db2.gz NBJJNEOQQFSNDO-NEPJUHHUSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001575503020 949037809 /nfs/dbraw/zinc/03/78/09/949037809.db2.gz NBJJNEOQQFSNDO-NEPJUHHUSA-N -1 3 384.400 0.013 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575503331 949040853 /nfs/dbraw/zinc/04/08/53/949040853.db2.gz OITOKCYLKLXRMT-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575503331 949040871 /nfs/dbraw/zinc/04/08/71/949040871.db2.gz OITOKCYLKLXRMT-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574440891 949042197 /nfs/dbraw/zinc/04/21/97/949042197.db2.gz YHOSOJCBHMAYLQ-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM CC(C)c1nnsc1C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574440891 949042216 /nfs/dbraw/zinc/04/22/16/949042216.db2.gz YHOSOJCBHMAYLQ-MRVPVSSYSA-N -1 3 389.445 0.718 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575247963 949054429 /nfs/dbraw/zinc/05/44/29/949054429.db2.gz MFBMLIFIFNWRLF-VXGBXAGGSA-N -1 3 388.476 0.753 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575247963 949054407 /nfs/dbraw/zinc/05/44/07/949054407.db2.gz MFBMLIFIFNWRLF-VXGBXAGGSA-N -1 3 388.476 0.753 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1)c1c[nH]cn1 ZINC001573779492 949065287 /nfs/dbraw/zinc/06/52/87/949065287.db2.gz JZFZXEFMPBVPJB-NSHDSACASA-N -1 3 382.432 0.300 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)c1c[nH]cn1 ZINC001573779492 949065306 /nfs/dbraw/zinc/06/53/06/949065306.db2.gz JZFZXEFMPBVPJB-NSHDSACASA-N -1 3 382.432 0.300 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574441607 949065755 /nfs/dbraw/zinc/06/57/55/949065755.db2.gz OZPPDCSKDLYRNZ-AOOOYVTPSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574441607 949065771 /nfs/dbraw/zinc/06/57/71/949065771.db2.gz OZPPDCSKDLYRNZ-AOOOYVTPSA-N -1 3 384.400 0.997 20 0 GCADHM CC(C)c1nsc(NC[C@@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574441656 949066179 /nfs/dbraw/zinc/06/61/79/949066179.db2.gz RFFZUXUDQXGLLN-SNVBAGLBSA-N -1 3 391.461 0.715 20 0 GCADHM CC(C)c1nsc(NC[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574441656 949066197 /nfs/dbraw/zinc/06/61/97/949066197.db2.gz RFFZUXUDQXGLLN-SNVBAGLBSA-N -1 3 391.461 0.715 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575248295 949067285 /nfs/dbraw/zinc/06/72/85/949067285.db2.gz QKPLNFUXNXYTJW-NWDGAFQWSA-N -1 3 386.460 0.494 20 0 GCADHM C[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575248295 949067302 /nfs/dbraw/zinc/06/73/02/949067302.db2.gz QKPLNFUXNXYTJW-NWDGAFQWSA-N -1 3 386.460 0.494 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575248282 949069089 /nfs/dbraw/zinc/06/90/89/949069089.db2.gz QJJPRGOFACODJP-GFCCVEGCSA-N -1 3 385.472 0.718 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575248282 949069108 /nfs/dbraw/zinc/06/91/08/949069108.db2.gz QJJPRGOFACODJP-GFCCVEGCSA-N -1 3 385.472 0.718 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574694395 949071984 /nfs/dbraw/zinc/07/19/84/949071984.db2.gz OPPJHCZAIVOAEJ-SNVBAGLBSA-N -1 3 381.462 0.344 20 0 GCADHM C[C@H](CN(C)C(=O)C(C)(C)S(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574694395 949071999 /nfs/dbraw/zinc/07/19/99/949071999.db2.gz OPPJHCZAIVOAEJ-SNVBAGLBSA-N -1 3 381.462 0.344 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575504752 949083642 /nfs/dbraw/zinc/08/36/42/949083642.db2.gz XGYOCHXXJMONDF-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](Oc1cccnc1)C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575504752 949083661 /nfs/dbraw/zinc/08/36/61/949083661.db2.gz XGYOCHXXJMONDF-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574441992 949084413 /nfs/dbraw/zinc/08/44/13/949084413.db2.gz IFDJIVGFINJITA-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1nocc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574441992 949084434 /nfs/dbraw/zinc/08/44/34/949084434.db2.gz IFDJIVGFINJITA-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575504601 949085708 /nfs/dbraw/zinc/08/57/08/949085708.db2.gz TWEMRWHYTNCEPD-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](c1ccc(F)cc1)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575504601 949085727 /nfs/dbraw/zinc/08/57/27/949085727.db2.gz TWEMRWHYTNCEPD-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)c1c[nH]cn1 ZINC001573780357 949092349 /nfs/dbraw/zinc/09/23/49/949092349.db2.gz WVTPDELPNJGKCT-NSHDSACASA-N -1 3 382.432 0.300 20 0 GCADHM C[C@H](CCNc1snc(Cl)c1-c1nnn[n-]1)NC(=O)Cc1nc[nH]n1 ZINC001574695096 949100988 /nfs/dbraw/zinc/10/09/88/949100988.db2.gz ZHSKGTUVZJATGQ-ZCFIWIBFSA-N -1 3 382.841 0.644 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574930601 949107038 /nfs/dbraw/zinc/10/70/38/949107038.db2.gz KQNHXPUKNUIEGV-NWDGAFQWSA-N -1 3 378.408 0.976 20 0 GCADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574930601 949107021 /nfs/dbraw/zinc/10/70/21/949107021.db2.gz KQNHXPUKNUIEGV-NWDGAFQWSA-N -1 3 378.408 0.976 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574930620 949107362 /nfs/dbraw/zinc/10/73/62/949107362.db2.gz KRWLNNYPYTYCNQ-JQWIXIFHSA-N -1 3 379.396 0.147 20 0 GCADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574930620 949107377 /nfs/dbraw/zinc/10/73/77/949107377.db2.gz KRWLNNYPYTYCNQ-JQWIXIFHSA-N -1 3 379.396 0.147 20 0 GCADHM C[C@@H](NC(=O)[C@@H](C)n1cncn1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575250319 949109789 /nfs/dbraw/zinc/10/97/89/949109789.db2.gz DRHDUISALRWWMC-GHMZBOCLSA-N -1 3 387.473 0.717 20 0 GCADHM CC(C)c1occc1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574445755 949111217 /nfs/dbraw/zinc/11/12/17/949111217.db2.gz BVUFEOUWZUYEFJ-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574445755 949111232 /nfs/dbraw/zinc/11/12/32/949111232.db2.gz BVUFEOUWZUYEFJ-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574443522 949112628 /nfs/dbraw/zinc/11/26/28/949112628.db2.gz ZIXABGLDWSZTNH-JTQLQIEISA-N -1 3 390.379 0.715 20 0 GCADHM CC(C)c1nocc1C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574443522 949112636 /nfs/dbraw/zinc/11/26/36/949112636.db2.gz ZIXABGLDWSZTNH-JTQLQIEISA-N -1 3 390.379 0.715 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574445754 949113140 /nfs/dbraw/zinc/11/31/40/949113140.db2.gz BVUFEOUWZUYEFJ-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574445754 949113152 /nfs/dbraw/zinc/11/31/52/949113152.db2.gz BVUFEOUWZUYEFJ-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)C(F)F ZINC001573781698 949113259 /nfs/dbraw/zinc/11/32/59/949113259.db2.gz MGBIVJWGAKTHML-SNVBAGLBSA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)C(F)F ZINC001573781698 949113268 /nfs/dbraw/zinc/11/32/68/949113268.db2.gz MGBIVJWGAKTHML-SNVBAGLBSA-N -1 3 381.387 0.874 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](C)C1N=NC(=O)N1C ZINC001575250688 949113507 /nfs/dbraw/zinc/11/35/07/949113507.db2.gz GHFQNJYDXOHRBW-MFKMUULPSA-N -1 3 386.416 0.982 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](C)C1N=NC(=O)N1C ZINC001575250688 949113517 /nfs/dbraw/zinc/11/35/17/949113517.db2.gz GHFQNJYDXOHRBW-MFKMUULPSA-N -1 3 386.416 0.982 20 0 GCADHM CC(C)(C(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1)C1CC1 ZINC001573782036 949114560 /nfs/dbraw/zinc/11/45/60/949114560.db2.gz PACZCYCCCHHMTH-UHFFFAOYSA-N -1 3 384.488 0.936 20 0 GCADHM CC(C)(C(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1)C1CC1 ZINC001573782036 949114578 /nfs/dbraw/zinc/11/45/78/949114578.db2.gz PACZCYCCCHHMTH-UHFFFAOYSA-N -1 3 384.488 0.936 20 0 GCADHM C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575250391 949114665 /nfs/dbraw/zinc/11/46/65/949114665.db2.gz FXTFCHWKZZWWHK-RYUDHWBXSA-N -1 3 392.485 0.236 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC001575250686 949115119 /nfs/dbraw/zinc/11/51/19/949115119.db2.gz GHFQNJYDXOHRBW-GWCFXTLKSA-N -1 3 386.416 0.982 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC001575250686 949115134 /nfs/dbraw/zinc/11/51/34/949115134.db2.gz GHFQNJYDXOHRBW-GWCFXTLKSA-N -1 3 386.416 0.982 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574931517 949118406 /nfs/dbraw/zinc/11/84/06/949118406.db2.gz QCXDTZLAOQZDPP-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CNC(=O)COCC1CCCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574931517 949118413 /nfs/dbraw/zinc/11/84/13/949118413.db2.gz QCXDTZLAOQZDPP-LLVKDONJSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573782379 949119710 /nfs/dbraw/zinc/11/97/10/949119710.db2.gz TXMDQLWUMQCBCV-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573782379 949119721 /nfs/dbraw/zinc/11/97/21/949119721.db2.gz TXMDQLWUMQCBCV-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574931750 949120857 /nfs/dbraw/zinc/12/08/57/949120857.db2.gz RSHDWRVLBYMNSW-TZMCWYRMSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574931688 949120990 /nfs/dbraw/zinc/12/09/90/949120990.db2.gz QSOGPFIDZKEYIP-PWSUYJOCSA-N -1 3 379.396 0.371 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574931750 949120866 /nfs/dbraw/zinc/12/08/66/949120866.db2.gz RSHDWRVLBYMNSW-TZMCWYRMSA-N -1 3 375.433 0.398 20 0 GCADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574931688 949121008 /nfs/dbraw/zinc/12/10/08/949121008.db2.gz QSOGPFIDZKEYIP-PWSUYJOCSA-N -1 3 379.396 0.371 20 0 GCADHM CC(C)(C(=O)NCC1CN(Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573782104 949121196 /nfs/dbraw/zinc/12/11/96/949121196.db2.gz QPYDRLULGKXUGU-UHFFFAOYSA-N -1 3 392.485 0.238 20 0 GCADHM CC(C)(C(=O)NCC1CN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573782104 949121211 /nfs/dbraw/zinc/12/12/11/949121211.db2.gz QPYDRLULGKXUGU-UHFFFAOYSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001574931699 949121372 /nfs/dbraw/zinc/12/13/72/949121372.db2.gz QWLICLYASAOFSK-SWLSCSKDSA-N -1 3 392.435 0.748 20 0 GCADHM C[C@@](CNC(=O)COCC1CC1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574931722 949122098 /nfs/dbraw/zinc/12/20/98/949122098.db2.gz QZXRRCMGZZVPDB-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)COCC1CC1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574931722 949122112 /nfs/dbraw/zinc/12/21/12/949122112.db2.gz QZXRRCMGZZVPDB-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575250979 949122206 /nfs/dbraw/zinc/12/22/06/949122206.db2.gz JPHZHIZKVRWRDB-QWRGUYRKSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@H](NC(=O)[C@H](C)n1cccn1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575250979 949122216 /nfs/dbraw/zinc/12/22/16/949122216.db2.gz JPHZHIZKVRWRDB-QWRGUYRKSA-N -1 3 383.416 0.229 20 0 GCADHM C[C@](CNC(=O)COCC1CC1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574931720 949122664 /nfs/dbraw/zinc/12/26/64/949122664.db2.gz QZXRRCMGZZVPDB-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)COCC1CC1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574931720 949122650 /nfs/dbraw/zinc/12/26/50/949122650.db2.gz QZXRRCMGZZVPDB-GOSISDBHSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574093938 949122924 /nfs/dbraw/zinc/12/29/24/949122924.db2.gz UCAOUPNMLBIFGG-STQMWFEESA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574093938 949122947 /nfs/dbraw/zinc/12/29/47/949122947.db2.gz UCAOUPNMLBIFGG-STQMWFEESA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001574446185 949123728 /nfs/dbraw/zinc/12/37/28/949123728.db2.gz JMHRIEWDVYYPFT-LLVKDONJSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001574446185 949123740 /nfs/dbraw/zinc/12/37/40/949123740.db2.gz JMHRIEWDVYYPFT-LLVKDONJSA-N -1 3 386.416 0.918 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574446264 949124220 /nfs/dbraw/zinc/12/42/20/949124220.db2.gz MDMNOJIQCXUITD-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574446264 949124229 /nfs/dbraw/zinc/12/42/29/949124229.db2.gz MDMNOJIQCXUITD-NSHDSACASA-N -1 3 387.400 0.432 20 0 GCADHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccnc(S(N)(=O)=O)c1 ZINC001575510888 949125984 /nfs/dbraw/zinc/12/59/84/949125984.db2.gz IANUYWSNLSBRSO-JTQLQIEISA-N -1 3 387.425 0.742 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574932233 949132537 /nfs/dbraw/zinc/13/25/37/949132537.db2.gz WHHOKBCJCLTTMV-OCCSQVGLSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574932233 949132554 /nfs/dbraw/zinc/13/25/54/949132554.db2.gz WHHOKBCJCLTTMV-OCCSQVGLSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574932229 949133953 /nfs/dbraw/zinc/13/39/53/949133953.db2.gz WHHOKBCJCLTTMV-GXTWGEPZSA-N -1 3 375.433 0.622 20 0 GCADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574932229 949133941 /nfs/dbraw/zinc/13/39/41/949133941.db2.gz WHHOKBCJCLTTMV-GXTWGEPZSA-N -1 3 375.433 0.622 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001574446647 949137281 /nfs/dbraw/zinc/13/72/81/949137281.db2.gz UUWSTHNXCJCGBZ-HUUCEWRRSA-N -1 3 383.412 0.958 20 0 GCADHM CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001574446647 949137301 /nfs/dbraw/zinc/13/73/01/949137301.db2.gz UUWSTHNXCJCGBZ-HUUCEWRRSA-N -1 3 383.412 0.958 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574446772 949137497 /nfs/dbraw/zinc/13/74/97/949137497.db2.gz VMDYRIMEGYLFSJ-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574446772 949137514 /nfs/dbraw/zinc/13/75/14/949137514.db2.gz VMDYRIMEGYLFSJ-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574446771 949137548 /nfs/dbraw/zinc/13/75/48/949137548.db2.gz VMDYRIMEGYLFSJ-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574446771 949137561 /nfs/dbraw/zinc/13/75/61/949137561.db2.gz VMDYRIMEGYLFSJ-JTQLQIEISA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1nc2ncc(CCO)cn2n1 ZINC001575512639 949141140 /nfs/dbraw/zinc/14/11/40/949141140.db2.gz OTCAKERRISUYTC-LLVKDONJSA-N -1 3 393.411 0.672 20 0 GCADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1nc2ncc(CCO)cn2n1 ZINC001575512639 949141156 /nfs/dbraw/zinc/14/11/56/949141156.db2.gz OTCAKERRISUYTC-LLVKDONJSA-N -1 3 393.411 0.672 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574446813 949142467 /nfs/dbraw/zinc/14/24/67/949142467.db2.gz XGSRRFOYHGVLKP-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM CC(C)c1occc1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574446813 949142475 /nfs/dbraw/zinc/14/24/75/949142475.db2.gz XGSRRFOYHGVLKP-LLVKDONJSA-N -1 3 387.400 0.432 20 0 GCADHM C[C@@](CNC(=O)COCC1CC1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574932389 949143207 /nfs/dbraw/zinc/14/32/07/949143207.db2.gz YYOKZWFUUZFUDJ-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)COCC1CC1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574932389 949143217 /nfs/dbraw/zinc/14/32/17/949143217.db2.gz YYOKZWFUUZFUDJ-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@H](C(=O)N[C@@H](C)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001575251850 949147672 /nfs/dbraw/zinc/14/76/72/949147672.db2.gz OPRJVLOEMJMQJR-NWDGAFQWSA-N -1 3 392.485 0.236 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934109 949149062 /nfs/dbraw/zinc/14/90/62/949149062.db2.gz BWPGKTZQMCVLGW-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934109 949149077 /nfs/dbraw/zinc/14/90/77/949149077.db2.gz BWPGKTZQMCVLGW-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934106 949150748 /nfs/dbraw/zinc/15/07/48/949150748.db2.gz BWPGKTZQMCVLGW-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CNC(=O)COc1cccnc1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934106 949150759 /nfs/dbraw/zinc/15/07/59/949150759.db2.gz BWPGKTZQMCVLGW-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574447276 949152341 /nfs/dbraw/zinc/15/23/41/949152341.db2.gz JOQHXFPYDWHJOO-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574447276 949152358 /nfs/dbraw/zinc/15/23/58/949152358.db2.gz JOQHXFPYDWHJOO-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574447275 949152529 /nfs/dbraw/zinc/15/25/29/949152529.db2.gz JOQHXFPYDWHJOO-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574447275 949152543 /nfs/dbraw/zinc/15/25/43/949152543.db2.gz JOQHXFPYDWHJOO-LLVKDONJSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574447167 949153960 /nfs/dbraw/zinc/15/39/60/949153960.db2.gz IZISKSKNGIGFDG-SNVBAGLBSA-N -1 3 390.379 0.715 20 0 GCADHM CC(C)c1ocnc1C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574447167 949153972 /nfs/dbraw/zinc/15/39/72/949153972.db2.gz IZISKSKNGIGFDG-SNVBAGLBSA-N -1 3 390.379 0.715 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574697772 949160332 /nfs/dbraw/zinc/16/03/32/949160332.db2.gz BQVPUKBWFLLPKD-QWRGUYRKSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574697772 949160345 /nfs/dbraw/zinc/16/03/45/949160345.db2.gz BQVPUKBWFLLPKD-QWRGUYRKSA-N -1 3 381.462 0.201 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1c[nH]cn1 ZINC001573787161 949168356 /nfs/dbraw/zinc/16/83/56/949168356.db2.gz NPHYMLJNEDODTC-XYPYZODXSA-N -1 3 383.416 0.273 20 0 GCADHM CC(C)(C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)C(F)F ZINC001573787322 949174244 /nfs/dbraw/zinc/17/42/44/949174244.db2.gz SXJGSMAWHIBZCT-VROVMSAKSA-N -1 3 379.371 0.673 20 0 GCADHM CC(C)(C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)C(F)F ZINC001573787322 949174256 /nfs/dbraw/zinc/17/42/56/949174256.db2.gz SXJGSMAWHIBZCT-VROVMSAKSA-N -1 3 379.371 0.673 20 0 GCADHM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)c1c[nH]cn1 ZINC001573787354 949175156 /nfs/dbraw/zinc/17/51/56/949175156.db2.gz VBLPAODWVGFQDC-IMRBUKKESA-N -1 3 379.428 0.513 20 0 GCADHM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)c1c[nH]cn1 ZINC001573787354 949175170 /nfs/dbraw/zinc/17/51/70/949175170.db2.gz VBLPAODWVGFQDC-IMRBUKKESA-N -1 3 379.428 0.513 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575252803 949175044 /nfs/dbraw/zinc/17/50/44/949175044.db2.gz RHRSSBDROWCXCH-LDYMZIIASA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](NC(=O)C(C)(F)F)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575252803 949175034 /nfs/dbraw/zinc/17/50/34/949175034.db2.gz RHRSSBDROWCXCH-LDYMZIIASA-N -1 3 383.359 0.196 20 0 GCADHM CC(C)(C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1c[nH]cn1 ZINC001573787281 949176757 /nfs/dbraw/zinc/17/67/57/949176757.db2.gz RIVSBVMPUJJTTH-MGCOHNPYSA-N -1 3 383.416 0.273 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574934734 949176862 /nfs/dbraw/zinc/17/68/62/949176862.db2.gz PMGWHHQGXIVVFV-GFCCVEGCSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@H](CNC(=O)COCc1nccn1C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574934734 949176869 /nfs/dbraw/zinc/17/68/69/949176869.db2.gz PMGWHHQGXIVVFV-GFCCVEGCSA-N -1 3 385.432 0.153 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934801 949181053 /nfs/dbraw/zinc/18/10/53/949181053.db2.gz RGLYQXNOZYGVBJ-NSHDSACASA-N -1 3 384.400 0.151 20 0 GCADHM C[C@@H](CNC(=O)COc1cccnc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934801 949181058 /nfs/dbraw/zinc/18/10/58/949181058.db2.gz RGLYQXNOZYGVBJ-NSHDSACASA-N -1 3 384.400 0.151 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934873 949181764 /nfs/dbraw/zinc/18/17/64/949181764.db2.gz UALRPHWACLFVGS-LBPRGKRZSA-N -1 3 383.412 0.756 20 0 GCADHM C[C@@H](CNC(=O)COc1ccccc1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934873 949181778 /nfs/dbraw/zinc/18/17/78/949181778.db2.gz UALRPHWACLFVGS-LBPRGKRZSA-N -1 3 383.412 0.756 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574448445 949185903 /nfs/dbraw/zinc/18/59/03/949185903.db2.gz LUDLKZCFIMTLMP-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574448445 949185913 /nfs/dbraw/zinc/18/59/13/949185913.db2.gz LUDLKZCFIMTLMP-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)OCC1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574698397 949189820 /nfs/dbraw/zinc/18/98/20/949189820.db2.gz KGCHBKVTDXICEH-GHMZBOCLSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](C)OCC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574698397 949189831 /nfs/dbraw/zinc/18/98/31/949189831.db2.gz KGCHBKVTDXICEH-GHMZBOCLSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574935084 949190101 /nfs/dbraw/zinc/19/01/01/949190101.db2.gz YRPZAZPJJZERJY-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CNC(=O)COc1ccccc1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574935084 949190116 /nfs/dbraw/zinc/19/01/16/949190116.db2.gz YRPZAZPJJZERJY-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574935069 949191387 /nfs/dbraw/zinc/19/13/87/949191387.db2.gz YKLKXYNTNPGYII-SNVBAGLBSA-N -1 3 389.441 0.817 20 0 GCADHM C[C@H](CNC(=O)COc1ccsc1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574935069 949191399 /nfs/dbraw/zinc/19/13/99/949191399.db2.gz YKLKXYNTNPGYII-SNVBAGLBSA-N -1 3 389.441 0.817 20 0 GCADHM CC(C)c1oncc1C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574448841 949192422 /nfs/dbraw/zinc/19/24/22/949192422.db2.gz NFEDEBGLDOCXCC-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1oncc1C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574448841 949192435 /nfs/dbraw/zinc/19/24/35/949192435.db2.gz NFEDEBGLDOCXCC-UHFFFAOYSA-N -1 3 384.400 0.999 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574448882 949192549 /nfs/dbraw/zinc/19/25/49/949192549.db2.gz OFHGABCWEIKPSZ-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574448882 949192564 /nfs/dbraw/zinc/19/25/64/949192564.db2.gz OFHGABCWEIKPSZ-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](NC(=O)C1(C)CCC1)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575254148 949198638 /nfs/dbraw/zinc/19/86/38/949198638.db2.gz LOYGDZHJSCCBAQ-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](NC(=O)C1(C)CCC1)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575254148 949198653 /nfs/dbraw/zinc/19/86/53/949198653.db2.gz LOYGDZHJSCCBAQ-FZMZJTMJSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574449933 949205333 /nfs/dbraw/zinc/20/53/33/949205333.db2.gz WPPMYTFQRGGMKS-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1oncc1C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574449933 949205347 /nfs/dbraw/zinc/20/53/47/949205347.db2.gz WPPMYTFQRGGMKS-NSHDSACASA-N -1 3 384.400 0.951 20 0 GCADHM CC1(Nc2cccc(F)c2-c2nnn[n-]2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001575853269 949207172 /nfs/dbraw/zinc/20/71/72/949207172.db2.gz NAKLFQHMUVUBST-MNOVXSKESA-N -1 3 387.419 0.920 20 0 GCADHM CC1(Nc2cccc(F)c2-c2nn[n-]n2)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001575853269 949207185 /nfs/dbraw/zinc/20/71/85/949207185.db2.gz NAKLFQHMUVUBST-MNOVXSKESA-N -1 3 387.419 0.920 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575254731 949211251 /nfs/dbraw/zinc/21/12/51/949211251.db2.gz XDZLSRGVQGEAFI-VHSXEESVSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575254731 949211275 /nfs/dbraw/zinc/21/12/75/949211275.db2.gz XDZLSRGVQGEAFI-VHSXEESVSA-N -1 3 381.462 0.390 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574451159 949218432 /nfs/dbraw/zinc/21/84/32/949218432.db2.gz FHDPAWDBEXBTKY-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)c1oncc1C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574451159 949218449 /nfs/dbraw/zinc/21/84/49/949218449.db2.gz FHDPAWDBEXBTKY-UHFFFAOYSA-N -1 3 384.400 0.808 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@H](N(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573791704 949223708 /nfs/dbraw/zinc/22/37/08/949223708.db2.gz DINCYDCTAGPTPG-ZDUSSCGKSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@H](N(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573791704 949223726 /nfs/dbraw/zinc/22/37/26/949223726.db2.gz DINCYDCTAGPTPG-ZDUSSCGKSA-N -1 3 389.460 0.666 20 0 GCADHM CC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001575853996 949224685 /nfs/dbraw/zinc/22/46/85/949224685.db2.gz YBKXWOPRTNNYSL-NSHDSACASA-N -1 3 388.407 0.330 20 0 GCADHM CC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001575853996 949224710 /nfs/dbraw/zinc/22/47/10/949224710.db2.gz YBKXWOPRTNNYSL-NSHDSACASA-N -1 3 388.407 0.330 20 0 GCADHM C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575255225 949226523 /nfs/dbraw/zinc/22/65/23/949226523.db2.gz YMWPRQZRKPKQBJ-STQMWFEESA-N -1 3 388.476 0.678 20 0 GCADHM C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575255225 949226546 /nfs/dbraw/zinc/22/65/46/949226546.db2.gz YMWPRQZRKPKQBJ-STQMWFEESA-N -1 3 388.476 0.678 20 0 GCADHM CC(C)CC(=O)N1CC[C@H](N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001574103276 949235825 /nfs/dbraw/zinc/23/58/25/949235825.db2.gz PIYZAYNJMJXGIX-AWEZNQCLSA-N -1 3 385.476 0.426 20 0 GCADHM CC(C)CC(=O)N1CC[C@H](N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001574103276 949235845 /nfs/dbraw/zinc/23/58/45/949235845.db2.gz PIYZAYNJMJXGIX-AWEZNQCLSA-N -1 3 385.476 0.426 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001574699404 949236502 /nfs/dbraw/zinc/23/65/02/949236502.db2.gz ULXVYIQTLCSQEO-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001574699404 949236519 /nfs/dbraw/zinc/23/65/19/949236519.db2.gz ULXVYIQTLCSQEO-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573792166 949237116 /nfs/dbraw/zinc/23/71/16/949237116.db2.gz MDGHUMPROQAVDL-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)C(=O)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573792166 949237136 /nfs/dbraw/zinc/23/71/36/949237136.db2.gz MDGHUMPROQAVDL-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](c1ccccc1F)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575517841 949239803 /nfs/dbraw/zinc/23/98/03/949239803.db2.gz ZDZSCYRFKNNBSV-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](c1ccccc1F)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575517841 949239823 /nfs/dbraw/zinc/23/98/23/949239823.db2.gz ZDZSCYRFKNNBSV-NSHDSACASA-N -1 3 385.403 0.872 20 0 GCADHM C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575256122 949243171 /nfs/dbraw/zinc/24/31/71/949243171.db2.gz STLLNDNXEHAMJS-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575256122 949243186 /nfs/dbraw/zinc/24/31/86/949243186.db2.gz STLLNDNXEHAMJS-ADLMAVQZSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)c1nncn1C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575520975 949243670 /nfs/dbraw/zinc/24/36/70/949243670.db2.gz BHQBLOLKCFYNQZ-LBPRGKRZSA-N -1 3 386.464 0.867 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)c1nncn1C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575520975 949243694 /nfs/dbraw/zinc/24/36/94/949243694.db2.gz BHQBLOLKCFYNQZ-LBPRGKRZSA-N -1 3 386.464 0.867 20 0 GCADHM C[C@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575256245 949246783 /nfs/dbraw/zinc/24/67/83/949246783.db2.gz ULQRWYPXSGWSCH-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)[C@]1(C)CCCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575256245 949246803 /nfs/dbraw/zinc/24/68/03/949246803.db2.gz ULQRWYPXSGWSCH-BBATYDOGSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)(C)C(=O)N1CC[C@@H](N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001573792489 949248236 /nfs/dbraw/zinc/24/82/36/949248236.db2.gz PQHVMGCXEBAKAX-CYBMUJFWSA-N -1 3 385.476 0.426 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)c1cccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574700256 949256318 /nfs/dbraw/zinc/25/63/18/949256318.db2.gz YJJZNHDCIFHCPK-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H](C)c1cccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574700256 949256339 /nfs/dbraw/zinc/25/63/39/949256339.db2.gz YJJZNHDCIFHCPK-VXGBXAGGSA-N -1 3 382.428 0.970 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001574452276 949256803 /nfs/dbraw/zinc/25/68/03/949256803.db2.gz IOTAQWLIIORKMQ-LLVKDONJSA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001574452276 949256822 /nfs/dbraw/zinc/25/68/22/949256822.db2.gz IOTAQWLIIORKMQ-LLVKDONJSA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001574452277 949258379 /nfs/dbraw/zinc/25/83/79/949258379.db2.gz IOTAQWLIIORKMQ-NSHDSACASA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001574452277 949258395 /nfs/dbraw/zinc/25/83/95/949258395.db2.gz IOTAQWLIIORKMQ-NSHDSACASA-N -1 3 384.404 0.012 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001574452253 949258767 /nfs/dbraw/zinc/25/87/67/949258767.db2.gz HTFXFWJFDAUOKX-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001574452253 949258786 /nfs/dbraw/zinc/25/87/86/949258786.db2.gz HTFXFWJFDAUOKX-CYBMUJFWSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521578 949260783 /nfs/dbraw/zinc/26/07/83/949260783.db2.gz GVSSMHSDTWABTO-VHSXEESVSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@@H](c1csnn1)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521578 949260803 /nfs/dbraw/zinc/26/08/03/949260803.db2.gz GVSSMHSDTWABTO-VHSXEESVSA-N -1 3 391.461 0.172 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575521573 949262031 /nfs/dbraw/zinc/26/20/31/949262031.db2.gz GTCSLILQQVUKRM-NSHDSACASA-N -1 3 382.432 0.232 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575521573 949262050 /nfs/dbraw/zinc/26/20/50/949262050.db2.gz GTCSLILQQVUKRM-NSHDSACASA-N -1 3 382.432 0.232 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001574452475 949262750 /nfs/dbraw/zinc/26/27/50/949262750.db2.gz KIPBHZRUTNHINX-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001574452475 949262775 /nfs/dbraw/zinc/26/27/75/949262775.db2.gz KIPBHZRUTNHINX-GFCCVEGCSA-N -1 3 383.416 0.617 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576152856 949264005 /nfs/dbraw/zinc/26/40/05/949264005.db2.gz KCMHFWKVSDFMDW-DIFFPNOSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@]1(C)C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576152856 949264024 /nfs/dbraw/zinc/26/40/24/949264024.db2.gz KCMHFWKVSDFMDW-DIFFPNOSSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521987 949266310 /nfs/dbraw/zinc/26/63/10/949266310.db2.gz JNTKQPMUVFMDHG-SDDRHHMPSA-N -1 3 382.432 0.373 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521987 949266322 /nfs/dbraw/zinc/26/63/22/949266322.db2.gz JNTKQPMUVFMDHG-SDDRHHMPSA-N -1 3 382.432 0.373 20 0 GCADHM CC(C)CC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574106111 949272586 /nfs/dbraw/zinc/27/25/86/949272586.db2.gz FADQCUBCACNMHQ-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)CC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574106111 949272605 /nfs/dbraw/zinc/27/26/05/949272605.db2.gz FADQCUBCACNMHQ-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001575522479 949274251 /nfs/dbraw/zinc/27/42/51/949274251.db2.gz LZTPCQIHPUHJBD-ZMLRMANQSA-N -1 3 385.457 0.811 20 0 GCADHM C[C@@H](c1csnn1)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001575522479 949274274 /nfs/dbraw/zinc/27/42/74/949274274.db2.gz LZTPCQIHPUHJBD-ZMLRMANQSA-N -1 3 385.457 0.811 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576153148 949274705 /nfs/dbraw/zinc/27/47/05/949274705.db2.gz KYBVLRQWCKZCDF-JSGCOSHPSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576153148 949274720 /nfs/dbraw/zinc/27/47/20/949274720.db2.gz KYBVLRQWCKZCDF-JSGCOSHPSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](c1cnccn1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575522409 949275952 /nfs/dbraw/zinc/27/59/52/949275952.db2.gz LETYMUMDOROXQD-XHBSWPGZSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@H](c1cnccn1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575522409 949275970 /nfs/dbraw/zinc/27/59/70/949275970.db2.gz LETYMUMDOROXQD-XHBSWPGZSA-N -1 3 379.428 0.892 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001576153166 949279988 /nfs/dbraw/zinc/27/99/88/949279988.db2.gz LBGBEJCFXAZAIO-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001576153166 949280009 /nfs/dbraw/zinc/28/00/09/949280009.db2.gz LBGBEJCFXAZAIO-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001574453010 949281810 /nfs/dbraw/zinc/28/18/10/949281810.db2.gz VNUVBMLVLHPHIX-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001574453010 949281833 /nfs/dbraw/zinc/28/18/33/949281833.db2.gz VNUVBMLVLHPHIX-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM C[C@H](NC(=O)C1CCC(O)CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575257842 949283416 /nfs/dbraw/zinc/28/34/16/949283416.db2.gz CEOHTZPHUUBVSC-IFQILLTASA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](NC(=O)C1CCC(O)CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575257842 949283433 /nfs/dbraw/zinc/28/34/33/949283433.db2.gz CEOHTZPHUUBVSC-IFQILLTASA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575257917 949286383 /nfs/dbraw/zinc/28/63/83/949286383.db2.gz CTQMQCMXOXNZRA-QWRGUYRKSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@H](NC(=O)C1=COCCO1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575257917 949286405 /nfs/dbraw/zinc/28/64/05/949286405.db2.gz CTQMQCMXOXNZRA-QWRGUYRKSA-N -1 3 387.400 0.050 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574941122 949287032 /nfs/dbraw/zinc/28/70/32/949287032.db2.gz OHUBFFZDLRTJKN-NSHDSACASA-N -1 3 392.423 0.916 20 0 GCADHM C[C@@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574941122 949287050 /nfs/dbraw/zinc/28/70/50/949287050.db2.gz OHUBFFZDLRTJKN-NSHDSACASA-N -1 3 392.423 0.916 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001575523350 949287434 /nfs/dbraw/zinc/28/74/34/949287434.db2.gz PLAVJWQZAXKZHR-ZWNOBZJWSA-N -1 3 384.448 0.525 20 0 GCADHM C[C@H](c1nncn1C)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001575523350 949287457 /nfs/dbraw/zinc/28/74/57/949287457.db2.gz PLAVJWQZAXKZHR-ZWNOBZJWSA-N -1 3 384.448 0.525 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573793133 949289212 /nfs/dbraw/zinc/28/92/12/949289212.db2.gz MELMPZSMXFMPIM-NSHDSACASA-N -1 3 391.407 0.337 20 0 GCADHM CC(C)(C)C(=O)C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573793133 949289232 /nfs/dbraw/zinc/28/92/32/949289232.db2.gz MELMPZSMXFMPIM-NSHDSACASA-N -1 3 391.407 0.337 20 0 GCADHM CC(C)n1cc(CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(=O)[nH]c1=O ZINC001574454815 949290494 /nfs/dbraw/zinc/29/04/94/949290494.db2.gz GMSMTWNBIIEBQN-UHFFFAOYSA-N -1 3 384.400 0.709 20 0 GCADHM CC(C)n1cc(CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]c1=O ZINC001574454815 949290511 /nfs/dbraw/zinc/29/05/11/949290511.db2.gz GMSMTWNBIIEBQN-UHFFFAOYSA-N -1 3 384.400 0.709 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001575258245 949291083 /nfs/dbraw/zinc/29/10/83/949291083.db2.gz GCMYZPVINHILRU-BDAKNGLRSA-N -1 3 389.391 0.364 20 0 GCADHM C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001575258245 949291096 /nfs/dbraw/zinc/29/10/96/949291096.db2.gz GCMYZPVINHILRU-BDAKNGLRSA-N -1 3 389.391 0.364 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575523462 949291282 /nfs/dbraw/zinc/29/12/82/949291282.db2.gz QEIRKFGNWPNZRD-ONGXEEELSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@@H](c1csnn1)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575523462 949291291 /nfs/dbraw/zinc/29/12/91/949291291.db2.gz QEIRKFGNWPNZRD-ONGXEEELSA-N -1 3 389.445 0.238 20 0 GCADHM C[C@@H](c1nncn1C)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575523478 949291942 /nfs/dbraw/zinc/29/19/42/949291942.db2.gz QGUXOTPUMPTXQQ-NWDGAFQWSA-N -1 3 384.448 0.669 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1ncccc1-c1nnn[n-]1 ZINC001574702780 949295436 /nfs/dbraw/zinc/29/54/36/949295436.db2.gz LQFVDEOHCYQSGT-ZYHUDNBSSA-N -1 3 389.464 0.604 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1ncccc1-c1nn[n-]n1 ZINC001574702780 949295456 /nfs/dbraw/zinc/29/54/56/949295456.db2.gz LQFVDEOHCYQSGT-ZYHUDNBSSA-N -1 3 389.464 0.604 20 0 GCADHM CC(C)n1cc(CN2CC[C@@](C)(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001574454957 949297280 /nfs/dbraw/zinc/29/72/80/949297280.db2.gz IXKFVYFRELBEKA-QGZVFWFLSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1cc(CN2CC[C@@](C)(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001574454957 949297297 /nfs/dbraw/zinc/29/72/97/949297297.db2.gz 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20 0 GCADHM C[C@@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001575523906 949302708 /nfs/dbraw/zinc/30/27/08/949302708.db2.gz RLMHVWNIIFMJDZ-PJQZNRQZSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@@H](c1nncn1C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001575523906 949302728 /nfs/dbraw/zinc/30/27/28/949302728.db2.gz RLMHVWNIIFMJDZ-PJQZNRQZSA-N -1 3 382.432 0.420 20 0 GCADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576153890 949304466 /nfs/dbraw/zinc/30/44/66/949304466.db2.gz NPPXRNZNDCKGCJ-CHWSQXEVSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001576153890 949304490 /nfs/dbraw/zinc/30/44/90/949304490.db2.gz NPPXRNZNDCKGCJ-CHWSQXEVSA-N -1 3 388.476 0.646 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575524087 949305142 /nfs/dbraw/zinc/30/51/42/949305142.db2.gz GJKUPHCNEUBNSX-ZJUUUORDSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575524087 949305167 /nfs/dbraw/zinc/30/51/67/949305167.db2.gz GJKUPHCNEUBNSX-ZJUUUORDSA-N -1 3 383.420 0.082 20 0 GCADHM CC(C)CC(=O)N1CCC[C@@H](N(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574108767 949305523 /nfs/dbraw/zinc/30/55/23/949305523.db2.gz QLNLEPPBYCUEBS-CQSZACIVSA-N -1 3 389.460 0.666 20 0 GCADHM CC(C)CC(=O)N1CCC[C@@H](N(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574108767 949305543 /nfs/dbraw/zinc/30/55/43/949305543.db2.gz QLNLEPPBYCUEBS-CQSZACIVSA-N -1 3 389.460 0.666 20 0 GCADHM CC1=C(C(=O)NC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C2CC2)CCCO1 ZINC001575860677 949307492 /nfs/dbraw/zinc/30/74/92/949307492.db2.gz LBVNDOYUFAVNLQ-OAHLLOKOSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C2CC2)CCCO1 ZINC001575860677 949307514 /nfs/dbraw/zinc/30/75/14/949307514.db2.gz LBVNDOYUFAVNLQ-OAHLLOKOSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001575860663 949307561 /nfs/dbraw/zinc/30/75/61/949307561.db2.gz KSFRWYIPCFKRSX-SNVBAGLBSA-N -1 3 385.428 0.856 20 0 GCADHM CC1=C(C(=O)N2CC([C@@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001575860663 949307586 /nfs/dbraw/zinc/30/75/86/949307586.db2.gz KSFRWYIPCFKRSX-SNVBAGLBSA-N -1 3 385.428 0.856 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574703057 949310368 /nfs/dbraw/zinc/31/03/68/949310368.db2.gz PYRVWCVTAVILGD-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574703057 949310394 /nfs/dbraw/zinc/31/03/94/949310394.db2.gz PYRVWCVTAVILGD-DYZYQPBXSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576153958 949310599 /nfs/dbraw/zinc/31/05/99/949310599.db2.gz NMIRVSLEZKZSHV-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCC[C@@H](OCC(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576153958 949310619 /nfs/dbraw/zinc/31/06/19/949310619.db2.gz NMIRVSLEZKZSHV-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](c1nncn1C)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001575524183 949310690 /nfs/dbraw/zinc/31/06/90/949310690.db2.gz SRSWUYUZOZLOLI-LLVKDONJSA-N -1 3 382.432 0.232 20 0 GCADHM C[C@H](c1nncn1C)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001575524183 949310710 /nfs/dbraw/zinc/31/07/10/949310710.db2.gz SRSWUYUZOZLOLI-LLVKDONJSA-N -1 3 382.432 0.232 20 0 GCADHM CC1=C(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001575860909 949313198 /nfs/dbraw/zinc/31/31/98/949313198.db2.gz MJKOWYCRSAEJPV-CYBMUJFWSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001575860909 949313219 /nfs/dbraw/zinc/31/32/19/949313219.db2.gz MJKOWYCRSAEJPV-CYBMUJFWSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N(C)[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCO1 ZINC001575860940 949314739 /nfs/dbraw/zinc/31/47/39/949314739.db2.gz NKYGXOHWPLZLGR-ZDUSSCGKSA-N -1 3 385.428 0.952 20 0 GCADHM CC1=C(C(=O)N(C)[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCO1 ZINC001575860940 949314758 /nfs/dbraw/zinc/31/47/58/949314758.db2.gz NKYGXOHWPLZLGR-ZDUSSCGKSA-N -1 3 385.428 0.952 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575524431 949316141 /nfs/dbraw/zinc/31/61/41/949316141.db2.gz ITNUJNZABNJLGH-JTQLQIEISA-N -1 3 383.420 0.035 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575524431 949316165 /nfs/dbraw/zinc/31/61/65/949316165.db2.gz ITNUJNZABNJLGH-JTQLQIEISA-N -1 3 383.420 0.035 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001576154135 949318921 /nfs/dbraw/zinc/31/89/21/949318921.db2.gz NSCQJJZMVYBWPB-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1CCC[C@H](OCC(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001576154135 949318943 /nfs/dbraw/zinc/31/89/43/949318943.db2.gz NSCQJJZMVYBWPB-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM CC1=C(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCO1 ZINC001575860985 949320024 /nfs/dbraw/zinc/32/00/24/949320024.db2.gz OVSCBMCAHBCIDI-UHFFFAOYSA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCO1 ZINC001575860985 949320043 /nfs/dbraw/zinc/32/00/43/949320043.db2.gz OVSCBMCAHBCIDI-UHFFFAOYSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@@H](c1nc(N)nc(Cl)n1)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001575524491 949320703 /nfs/dbraw/zinc/32/07/03/949320703.db2.gz TVMKWOOBVHLXLU-VIFPVBQESA-N -1 3 387.839 0.566 20 0 GCADHM C[C@@H](c1nc(N)nc(Cl)n1)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001575524491 949320722 /nfs/dbraw/zinc/32/07/22/949320722.db2.gz TVMKWOOBVHLXLU-VIFPVBQESA-N -1 3 387.839 0.566 20 0 GCADHM CC(C)(C)C(=O)N1CCN(C2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001573795241 949321542 /nfs/dbraw/zinc/32/15/42/949321542.db2.gz KJDWYTTUAKOHQB-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM CC(C)(C)C(=O)N1CCN(C2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001573795241 949321558 /nfs/dbraw/zinc/32/15/58/949321558.db2.gz KJDWYTTUAKOHQB-UHFFFAOYSA-N -1 3 386.460 0.210 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N(C)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576154195 949322342 /nfs/dbraw/zinc/32/23/42/949322342.db2.gz OCLDWLIEPVAVEI-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1CCC[C@H](OCC(=O)N(C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576154195 949322359 /nfs/dbraw/zinc/32/23/59/949322359.db2.gz OCLDWLIEPVAVEI-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574457325 949323134 /nfs/dbraw/zinc/32/31/34/949323134.db2.gz GKWPKYVRRWQOLL-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574457325 949323165 /nfs/dbraw/zinc/32/31/65/949323165.db2.gz GKWPKYVRRWQOLL-UHFFFAOYSA-N -1 3 383.416 0.569 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001576154190 949324421 /nfs/dbraw/zinc/32/44/21/949324421.db2.gz OCLDWLIEPVAVEI-CHWSQXEVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CCC[C@@H](OCC(=O)N(C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001576154190 949324450 /nfs/dbraw/zinc/32/44/50/949324450.db2.gz OCLDWLIEPVAVEI-CHWSQXEVSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575259402 949324845 /nfs/dbraw/zinc/32/48/45/949324845.db2.gz NYCHYHXJTLXCSR-DGCLKSJQSA-N -1 3 385.428 0.508 20 0 GCADHM C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575259402 949324867 /nfs/dbraw/zinc/32/48/67/949324867.db2.gz NYCHYHXJTLXCSR-DGCLKSJQSA-N -1 3 385.428 0.508 20 0 GCADHM CC1=C(C(=O)NC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCCO1 ZINC001575861522 949325761 /nfs/dbraw/zinc/32/57/61/949325761.db2.gz SXOAUWMFDFTMHM-HNNXBMFYSA-N -1 3 385.428 0.904 20 0 GCADHM CC1=C(C(=O)NC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCCO1 ZINC001575861522 949325776 /nfs/dbraw/zinc/32/57/76/949325776.db2.gz SXOAUWMFDFTMHM-HNNXBMFYSA-N -1 3 385.428 0.904 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574457365 949325963 /nfs/dbraw/zinc/32/59/63/949325963.db2.gz JBVSTDNBGMJSTE-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1ccc(C(=O)N2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574457365 949325979 /nfs/dbraw/zinc/32/59/79/949325979.db2.gz JBVSTDNBGMJSTE-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)c1nnnn1C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575524869 949326612 /nfs/dbraw/zinc/32/66/12/949326612.db2.gz KDHFSIKXWYNOJB-NSHDSACASA-N -1 3 387.452 0.262 20 0 GCADHM CC(C)N(CCN(C)[C@@H](C)c1nnnn1C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575524869 949326638 /nfs/dbraw/zinc/32/66/38/949326638.db2.gz KDHFSIKXWYNOJB-NSHDSACASA-N -1 3 387.452 0.262 20 0 GCADHM CC1(C(=O)N(CCO)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC001575524918 949326808 /nfs/dbraw/zinc/32/68/08/949326808.db2.gz LEASHDHEIVGDJI-UHFFFAOYSA-N -1 3 389.460 0.716 20 0 GCADHM CC1(C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC001575524918 949326826 /nfs/dbraw/zinc/32/68/26/949326826.db2.gz LEASHDHEIVGDJI-UHFFFAOYSA-N -1 3 389.460 0.716 20 0 GCADHM CC1=C(C(=O)N(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CCCO1 ZINC001575861626 949328608 /nfs/dbraw/zinc/32/86/08/949328608.db2.gz UPWBOEMBKAMFHG-UHFFFAOYSA-N -1 3 385.428 1.000 20 0 GCADHM CC1=C(C(=O)N(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CCCO1 ZINC001575861626 949328637 /nfs/dbraw/zinc/32/86/37/949328637.db2.gz UPWBOEMBKAMFHG-UHFFFAOYSA-N -1 3 385.428 1.000 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H](C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574457597 949329206 /nfs/dbraw/zinc/32/92/06/949329206.db2.gz KVXNUEBNADXYND-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1ccc(C(=O)N[C@@H](C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574457597 949329225 /nfs/dbraw/zinc/32/92/25/949329225.db2.gz KVXNUEBNADXYND-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573796023 949331503 /nfs/dbraw/zinc/33/15/03/949331503.db2.gz QHELEGWNYCNWDQ-CQSZACIVSA-N -1 3 390.419 0.896 20 0 GCADHM CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573796023 949331513 /nfs/dbraw/zinc/33/15/13/949331513.db2.gz QHELEGWNYCNWDQ-CQSZACIVSA-N -1 3 390.419 0.896 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574109847 949331921 /nfs/dbraw/zinc/33/19/21/949331921.db2.gz FRJUYCKANNBJPU-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574109847 949331943 /nfs/dbraw/zinc/33/19/43/949331943.db2.gz FRJUYCKANNBJPU-CYBMUJFWSA-N -1 3 375.433 0.588 20 0 GCADHM CC1=C(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCO1 ZINC001575861939 949335636 /nfs/dbraw/zinc/33/56/36/949335636.db2.gz XEBTUPVCQIHPKD-UHFFFAOYSA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCO1 ZINC001575861939 949335659 /nfs/dbraw/zinc/33/56/59/949335659.db2.gz XEBTUPVCQIHPKD-UHFFFAOYSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575525379 949338262 /nfs/dbraw/zinc/33/82/62/949338262.db2.gz MYHNZFKOSSXGLX-SNVBAGLBSA-N -1 3 383.420 0.035 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575525379 949338284 /nfs/dbraw/zinc/33/82/84/949338284.db2.gz MYHNZFKOSSXGLX-SNVBAGLBSA-N -1 3 383.420 0.035 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H]2C)CCCO1 ZINC001575862150 949340016 /nfs/dbraw/zinc/34/00/16/949340016.db2.gz YDHQWVYDWNDDBU-GWCFXTLKSA-N -1 3 385.428 0.998 20 0 GCADHM CC1=C(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H]2C)CCCO1 ZINC001575862150 949340039 /nfs/dbraw/zinc/34/00/39/949340039.db2.gz YDHQWVYDWNDDBU-GWCFXTLKSA-N -1 3 385.428 0.998 20 0 GCADHM C[C@H](c1nncn1C)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575525262 949340421 /nfs/dbraw/zinc/34/04/21/949340421.db2.gz WXNARLDXYLKIRT-YPMHNXCESA-N -1 3 384.448 0.669 20 0 GCADHM C[C@H](c1nncn1C)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575525262 949340440 /nfs/dbraw/zinc/34/04/40/949340440.db2.gz WXNARLDXYLKIRT-YPMHNXCESA-N -1 3 384.448 0.669 20 0 GCADHM C[C@](CNC(=O)Cc1ccon1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574942244 949343027 /nfs/dbraw/zinc/34/30/27/949343027.db2.gz LTBVDGURVSTGBX-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)Cc1ccon1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574942244 949343057 /nfs/dbraw/zinc/34/30/57/949343057.db2.gz LTBVDGURVSTGBX-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNc2ncccc2-c2nnn[n-]2)n1 ZINC001574458585 949344369 /nfs/dbraw/zinc/34/43/69/949344369.db2.gz TZYKKMODMMMWSN-GFCCVEGCSA-N -1 3 385.432 0.584 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNc2ncccc2-c2nn[n-]n2)n1 ZINC001574458585 949344396 /nfs/dbraw/zinc/34/43/96/949344396.db2.gz TZYKKMODMMMWSN-GFCCVEGCSA-N -1 3 385.432 0.584 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575525419 949345818 /nfs/dbraw/zinc/34/58/18/949345818.db2.gz NNLHOCBSRPXXJB-JTQLQIEISA-N -1 3 385.436 0.281 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575525419 949345837 /nfs/dbraw/zinc/34/58/37/949345837.db2.gz NNLHOCBSRPXXJB-JTQLQIEISA-N -1 3 385.436 0.281 20 0 GCADHM C[C@@H](c1nncn1C)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001575525533 949347277 /nfs/dbraw/zinc/34/72/77/949347277.db2.gz XDVRANWVOUEQIT-NTZNESFSSA-N -1 3 384.448 0.382 20 0 GCADHM C[C@@H](c1ncccn1)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575525536 949348394 /nfs/dbraw/zinc/34/83/94/949348394.db2.gz XEEOVKSOFRURKB-RYUDHWBXSA-N -1 3 385.432 0.111 20 0 GCADHM C[C@@H](c1ncccn1)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575525536 949348415 /nfs/dbraw/zinc/34/84/15/949348415.db2.gz XEEOVKSOFRURKB-RYUDHWBXSA-N -1 3 385.432 0.111 20 0 GCADHM CC(C)n1ccc(CC(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574459324 949351414 /nfs/dbraw/zinc/35/14/14/949351414.db2.gz ARIHQEFLXUQJHT-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM CC(C)n1ccc(CC(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574459324 949351428 /nfs/dbraw/zinc/35/14/28/949351428.db2.gz ARIHQEFLXUQJHT-UHFFFAOYSA-N -1 3 383.416 0.156 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574459367 949352658 /nfs/dbraw/zinc/35/26/58/949352658.db2.gz CCNRBKHFUPVTSG-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)n1ccc(CC(=O)N[C@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574459367 949352677 /nfs/dbraw/zinc/35/26/77/949352677.db2.gz CCNRBKHFUPVTSG-LLVKDONJSA-N -1 3 385.432 0.449 20 0 GCADHM CC(C)CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574110153 949354116 /nfs/dbraw/zinc/35/41/16/949354116.db2.gz SFONTKKMMRNNRB-RISCZKNCSA-N -1 3 375.433 0.587 20 0 GCADHM CC(C)CC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574110153 949354139 /nfs/dbraw/zinc/35/41/39/949354139.db2.gz SFONTKKMMRNNRB-RISCZKNCSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575525859 949354271 /nfs/dbraw/zinc/35/42/71/949354271.db2.gz RSBWYEAGKCFOGC-QGZVFWFLSA-N -1 3 375.433 0.311 20 0 GCADHM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575525859 949354294 /nfs/dbraw/zinc/35/42/94/949354294.db2.gz RSBWYEAGKCFOGC-QGZVFWFLSA-N -1 3 375.433 0.311 20 0 GCADHM C[C@@H](NC(=O)C1CC(F)(F)C1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575260412 949354354 /nfs/dbraw/zinc/35/43/54/949354354.db2.gz VSLOYIZDXZFTRD-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H](NC(=O)C1CC(F)(F)C1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575260412 949354371 /nfs/dbraw/zinc/35/43/71/949354371.db2.gz VSLOYIZDXZFTRD-MRVPVSSYSA-N -1 3 379.371 0.817 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576154704 949355317 /nfs/dbraw/zinc/35/53/17/949355317.db2.gz QZMWAMJCVWPQBD-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCC[C@H]1CC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576154704 949355339 /nfs/dbraw/zinc/35/53/39/949355339.db2.gz QZMWAMJCVWPQBD-NEPJUHHUSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573798513 949355926 /nfs/dbraw/zinc/35/59/26/949355926.db2.gz CQBFGHBXWDCFRN-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573798513 949355945 /nfs/dbraw/zinc/35/59/45/949355945.db2.gz CQBFGHBXWDCFRN-ZDUSSCGKSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001574459474 949359379 /nfs/dbraw/zinc/35/93/79/949359379.db2.gz IDWLKWLEUUYVLD-AWEZNQCLSA-N -1 3 385.432 0.171 20 0 GCADHM CC(C)n1ccc(CC(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001574459474 949359400 /nfs/dbraw/zinc/35/94/00/949359400.db2.gz IDWLKWLEUUYVLD-AWEZNQCLSA-N -1 3 385.432 0.171 20 0 GCADHM CC1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)cn2)CC(F)(F)C1 ZINC001575526348 949366473 /nfs/dbraw/zinc/36/64/73/949366473.db2.gz YDXSMFLDIPNRIU-UHFFFAOYSA-N -1 3 381.387 0.930 20 0 GCADHM CC1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)cn2)CC(F)(F)C1 ZINC001575526348 949366495 /nfs/dbraw/zinc/36/64/95/949366495.db2.gz YDXSMFLDIPNRIU-UHFFFAOYSA-N -1 3 381.387 0.930 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574704234 949373977 /nfs/dbraw/zinc/37/39/77/949373977.db2.gz BFIYUGPECGMWQI-ZWNOBZJWSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574704234 949373998 /nfs/dbraw/zinc/37/39/98/949373998.db2.gz BFIYUGPECGMWQI-ZWNOBZJWSA-N -1 3 390.423 0.671 20 0 GCADHM C[C@H](CNC(=O)Cc1cc[nH]n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574943290 949377434 /nfs/dbraw/zinc/37/74/34/949377434.db2.gz VSZGAQFKZBDQTN-SECBINFHSA-N -1 3 375.824 0.822 20 0 GCADHM C[C@H](CNC(=O)Cc1cc[nH]n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574943290 949377450 /nfs/dbraw/zinc/37/74/50/949377450.db2.gz VSZGAQFKZBDQTN-SECBINFHSA-N -1 3 375.824 0.822 20 0 GCADHM C[C@H]1CCC[C@H](C)N1C(=O)CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576155033 949377814 /nfs/dbraw/zinc/37/78/14/949377814.db2.gz SKEKEJAVONRVBD-RYUDHWBXSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@H]1CCC[C@H](C)N1C(=O)CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576155033 949377833 /nfs/dbraw/zinc/37/78/33/949377833.db2.gz SKEKEJAVONRVBD-RYUDHWBXSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573799922 949380333 /nfs/dbraw/zinc/38/03/33/949380333.db2.gz QUSQTGBMOFCDJR-UHFFFAOYSA-N -1 3 389.435 0.817 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573799922 949380353 /nfs/dbraw/zinc/38/03/53/949380353.db2.gz QUSQTGBMOFCDJR-UHFFFAOYSA-N -1 3 389.435 0.817 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573800222 949389608 /nfs/dbraw/zinc/38/96/08/949389608.db2.gz UJOXGUJAEAWDKK-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573800222 949389632 /nfs/dbraw/zinc/38/96/32/949389632.db2.gz UJOXGUJAEAWDKK-ZDUSSCGKSA-N -1 3 386.460 0.509 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCOC1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575263326 949395590 /nfs/dbraw/zinc/39/55/90/949395590.db2.gz FYEZBDFDBHWUIL-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCOC1)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575263326 949395612 /nfs/dbraw/zinc/39/56/12/949395612.db2.gz FYEZBDFDBHWUIL-YPMHNXCESA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574944542 949396357 /nfs/dbraw/zinc/39/63/57/949396357.db2.gz DTSMTRYODHRRAG-SNVBAGLBSA-N -1 3 382.432 0.427 20 0 GCADHM C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574944542 949396381 /nfs/dbraw/zinc/39/63/81/949396381.db2.gz DTSMTRYODHRRAG-SNVBAGLBSA-N -1 3 382.432 0.427 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc[nH]n1)CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001574944589 949398001 /nfs/dbraw/zinc/39/80/01/949398001.db2.gz GBJGCBJJSFLETF-LURJTMIESA-N -1 3 382.841 0.502 20 0 GCADHM C[C@@H](CNC(=O)Cc1nc[nH]n1)CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001574944589 949398020 /nfs/dbraw/zinc/39/80/20/949398020.db2.gz GBJGCBJJSFLETF-LURJTMIESA-N -1 3 382.841 0.502 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574704577 949398142 /nfs/dbraw/zinc/39/81/42/949398142.db2.gz DBEVAZLOHNQGTD-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574704577 949398160 /nfs/dbraw/zinc/39/81/60/949398160.db2.gz DBEVAZLOHNQGTD-RYUDHWBXSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574944882 949402064 /nfs/dbraw/zinc/40/20/64/949402064.db2.gz HVAVNARGZSZBAJ-SNVBAGLBSA-N -1 3 382.432 0.418 20 0 GCADHM C[C@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574944882 949402077 /nfs/dbraw/zinc/40/20/77/949402077.db2.gz HVAVNARGZSZBAJ-SNVBAGLBSA-N -1 3 382.432 0.418 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575263696 949402917 /nfs/dbraw/zinc/40/29/17/949402917.db2.gz IUCJVXOFYHJTHX-FZMZJTMJSA-N -1 3 389.460 0.855 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575263696 949402929 /nfs/dbraw/zinc/40/29/29/949402929.db2.gz IUCJVXOFYHJTHX-FZMZJTMJSA-N -1 3 389.460 0.855 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573801752 949404095 /nfs/dbraw/zinc/40/40/95/949404095.db2.gz BYOKLILTPVJRPR-HAQNSBGRSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573801752 949404110 /nfs/dbraw/zinc/40/41/10/949404110.db2.gz BYOKLILTPVJRPR-HAQNSBGRSA-N -1 3 386.460 0.731 20 0 GCADHM CC1(C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCCC1 ZINC001575528702 949405705 /nfs/dbraw/zinc/40/57/05/949405705.db2.gz ZWOAVCBBJVDXEX-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCCC1 ZINC001575528702 949405718 /nfs/dbraw/zinc/40/57/18/949405718.db2.gz ZWOAVCBBJVDXEX-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575263804 949408860 /nfs/dbraw/zinc/40/88/60/949408860.db2.gz JTBVSAUBRWYMNA-DTWKUNHWSA-N -1 3 382.421 0.356 20 0 GCADHM C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575263804 949408872 /nfs/dbraw/zinc/40/88/72/949408872.db2.gz JTBVSAUBRWYMNA-DTWKUNHWSA-N -1 3 382.421 0.356 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575263869 949413314 /nfs/dbraw/zinc/41/33/14/949413314.db2.gz KNNXRVSBSNBPRK-RYUDHWBXSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575263869 949413324 /nfs/dbraw/zinc/41/33/24/949413324.db2.gz KNNXRVSBSNBPRK-RYUDHWBXSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001574114953 949419260 /nfs/dbraw/zinc/41/92/60/949419260.db2.gz YQPQOOHONVMLCT-CYBMUJFWSA-N -1 3 391.407 0.028 20 0 GCADHM CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001574114953 949419272 /nfs/dbraw/zinc/41/92/72/949419272.db2.gz YQPQOOHONVMLCT-CYBMUJFWSA-N -1 3 391.407 0.028 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575533779 949419879 /nfs/dbraw/zinc/41/98/79/949419879.db2.gz IOMXTIDHMRKPIW-XIKOKIGWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575533779 949419898 /nfs/dbraw/zinc/41/98/98/949419898.db2.gz IOMXTIDHMRKPIW-XIKOKIGWSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575533776 949421218 /nfs/dbraw/zinc/42/12/18/949421218.db2.gz IOMXTIDHMRKPIW-SGTLLEGYSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575533776 949421228 /nfs/dbraw/zinc/42/12/28/949421228.db2.gz IOMXTIDHMRKPIW-SGTLLEGYSA-N -1 3 384.444 0.438 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574705271 949421926 /nfs/dbraw/zinc/42/19/26/949421926.db2.gz GYCFWUBGNXVMGG-MFKMUULPSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574705271 949421942 /nfs/dbraw/zinc/42/19/42/949421942.db2.gz GYCFWUBGNXVMGG-MFKMUULPSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CC12CCOCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574705486 949426032 /nfs/dbraw/zinc/42/60/32/949426032.db2.gz UATORWQPWQPYMR-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CC12CCOCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574705486 949426051 /nfs/dbraw/zinc/42/60/51/949426051.db2.gz UATORWQPWQPYMR-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC(F)(F)C1 ZINC001575534565 949427410 /nfs/dbraw/zinc/42/74/10/949427410.db2.gz NXDCRWVWKJLQLX-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC(F)(F)C1 ZINC001575534565 949427415 /nfs/dbraw/zinc/42/74/15/949427415.db2.gz NXDCRWVWKJLQLX-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575534284 949428858 /nfs/dbraw/zinc/42/88/58/949428858.db2.gz MJPQGARZCHZAPK-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@@]1(C(=O)N2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575534284 949428875 /nfs/dbraw/zinc/42/88/75/949428875.db2.gz MJPQGARZCHZAPK-KPZWWZAWSA-N -1 3 387.444 0.590 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573802911 949431212 /nfs/dbraw/zinc/43/12/12/949431212.db2.gz LTICVPQCLZTROZ-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573802911 949431226 /nfs/dbraw/zinc/43/12/26/949431226.db2.gz LTICVPQCLZTROZ-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574465176 949432582 /nfs/dbraw/zinc/43/25/82/949432582.db2.gz RJLFZCSEHROSFI-LBPRGKRZSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574465176 949432591 /nfs/dbraw/zinc/43/25/91/949432591.db2.gz RJLFZCSEHROSFI-LBPRGKRZSA-N -1 3 388.407 0.986 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)CCCC1 ZINC001575534839 949436700 /nfs/dbraw/zinc/43/67/00/949436700.db2.gz QPHQFNFBJQVSQV-OCCSQVGLSA-N -1 3 387.444 0.467 20 0 GCADHM CC1(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CCCC1 ZINC001575534839 949436705 /nfs/dbraw/zinc/43/67/05/949436705.db2.gz QPHQFNFBJQVSQV-OCCSQVGLSA-N -1 3 387.444 0.467 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574465487 949437273 /nfs/dbraw/zinc/43/72/73/949437273.db2.gz ZFARSFIMPVWDLB-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1cnc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574465487 949437292 /nfs/dbraw/zinc/43/72/92/949437292.db2.gz ZFARSFIMPVWDLB-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001575867467 949437677 /nfs/dbraw/zinc/43/76/77/949437677.db2.gz YWLPIDMNDULQNJ-UHFFFAOYSA-N -1 3 387.425 0.507 20 0 GCADHM CC1=NS(=O)(=O)N(C)C=C1C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001575867467 949437693 /nfs/dbraw/zinc/43/76/93/949437693.db2.gz YWLPIDMNDULQNJ-UHFFFAOYSA-N -1 3 387.425 0.507 20 0 GCADHM CC(C)n1cnc(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)c1 ZINC001574465425 949438138 /nfs/dbraw/zinc/43/81/38/949438138.db2.gz YDUSDJAWMANCMI-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM CC(C)n1cnc(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)c1 ZINC001574465425 949438149 /nfs/dbraw/zinc/43/81/49/949438149.db2.gz YDUSDJAWMANCMI-UHFFFAOYSA-N -1 3 383.416 0.665 20 0 GCADHM C[C@H](NC(=O)[C@@H]1COCCO1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575264954 949439542 /nfs/dbraw/zinc/43/95/42/949439542.db2.gz RFNMGOQRUFMILY-GWCFXTLKSA-N -1 3 378.458 0.280 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574465716 949441890 /nfs/dbraw/zinc/44/18/90/949441890.db2.gz XBGIEVVEGZLTKD-GFCCVEGCSA-N -1 3 388.407 0.986 20 0 GCADHM CC(C)n1cccc1C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574465716 949441906 /nfs/dbraw/zinc/44/19/06/949441906.db2.gz XBGIEVVEGZLTKD-GFCCVEGCSA-N -1 3 388.407 0.986 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575535367 949444810 /nfs/dbraw/zinc/44/48/10/949444810.db2.gz VVMUQCPVGIRWFC-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575535367 949444829 /nfs/dbraw/zinc/44/48/29/949444829.db2.gz VVMUQCPVGIRWFC-XIKOKIGWSA-N -1 3 387.444 0.590 20 0 GCADHM CC(C)CC(=O)NC[C@]1(C)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001574117302 949460694 /nfs/dbraw/zinc/46/06/94/949460694.db2.gz QGRDNLMSEVTYAO-QGZVFWFLSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CC(=O)NC[C@]1(C)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001574117302 949460709 /nfs/dbraw/zinc/46/07/09/949460709.db2.gz QGRDNLMSEVTYAO-QGZVFWFLSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ncccc1-c1nnn[n-]1 ZINC001574948415 949461049 /nfs/dbraw/zinc/46/10/49/949461049.db2.gz ISVDKKNBIJDXHI-JTQLQIEISA-N -1 3 375.824 0.976 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ncccc1-c1nn[n-]n1 ZINC001574948415 949461061 /nfs/dbraw/zinc/46/10/61/949461061.db2.gz ISVDKKNBIJDXHI-JTQLQIEISA-N -1 3 375.824 0.976 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccccc1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574948452 949462853 /nfs/dbraw/zinc/46/28/53/949462853.db2.gz JBHNQDZJFPNMPD-NSHDSACASA-N -1 3 386.391 0.204 20 0 GCADHM C[C@@H](CNC(=O)Cn1ccccc1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574948452 949462870 /nfs/dbraw/zinc/46/28/70/949462870.db2.gz JBHNQDZJFPNMPD-NSHDSACASA-N -1 3 386.391 0.204 20 0 GCADHM CC(C)n1ncc(C(=O)NCCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1Cl ZINC001574468504 949464385 /nfs/dbraw/zinc/46/43/85/949464385.db2.gz MVUIXMSKXCIJPX-UHFFFAOYSA-N -1 3 391.823 0.785 20 0 GCADHM CC(C)n1ncc(C(=O)NCCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1Cl ZINC001574468504 949464394 /nfs/dbraw/zinc/46/43/94/949464394.db2.gz MVUIXMSKXCIJPX-UHFFFAOYSA-N -1 3 391.823 0.785 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574468810 949466540 /nfs/dbraw/zinc/46/65/40/949466540.db2.gz SDBFDZBNIAWIHB-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H](C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574468810 949466559 /nfs/dbraw/zinc/46/65/59/949466559.db2.gz SDBFDZBNIAWIHB-NSHDSACASA-N -1 3 385.432 0.911 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574707303 949467306 /nfs/dbraw/zinc/46/73/06/949467306.db2.gz OOZYIVINLYTGSS-BXUZGUMPSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574707303 949467316 /nfs/dbraw/zinc/46/73/16/949467316.db2.gz OOZYIVINLYTGSS-BXUZGUMPSA-N -1 3 387.448 0.454 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575266294 949471147 /nfs/dbraw/zinc/47/11/47/949471147.db2.gz YHRCQBQSXYCBNQ-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)[C@H]1CCCOCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575266294 949471164 /nfs/dbraw/zinc/47/11/64/949471164.db2.gz YHRCQBQSXYCBNQ-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)c1 ZINC001574469168 949472468 /nfs/dbraw/zinc/47/24/68/949472468.db2.gz YDCNIPNBRWKBCS-TZMCWYRMSA-N -1 3 383.416 0.019 20 0 GCADHM CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)c1 ZINC001574469168 949472478 /nfs/dbraw/zinc/47/24/78/949472478.db2.gz YDCNIPNBRWKBCS-TZMCWYRMSA-N -1 3 383.416 0.019 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576157174 949473386 /nfs/dbraw/zinc/47/33/86/949473386.db2.gz YXNFJASMGBSJTH-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H]1CCC[C@H](C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576157174 949473418 /nfs/dbraw/zinc/47/34/18/949473418.db2.gz YXNFJASMGBSJTH-OLZOCXBDSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574948839 949473521 /nfs/dbraw/zinc/47/35/21/949473521.db2.gz NKDMOKGZTKEDIU-JTQLQIEISA-N -1 3 375.824 0.976 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574948839 949473538 /nfs/dbraw/zinc/47/35/38/949473538.db2.gz NKDMOKGZTKEDIU-JTQLQIEISA-N -1 3 375.824 0.976 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574469337 949475010 /nfs/dbraw/zinc/47/50/10/949475010.db2.gz BUJQXFNWDBVWJY-QGZVFWFLSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574469337 949475019 /nfs/dbraw/zinc/47/50/19/949475019.db2.gz BUJQXFNWDBVWJY-QGZVFWFLSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574469365 949475682 /nfs/dbraw/zinc/47/56/82/949475682.db2.gz CCDFXJXOMAJFNQ-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1nccc1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574469365 949475693 /nfs/dbraw/zinc/47/56/93/949475693.db2.gz CCDFXJXOMAJFNQ-NSHDSACASA-N -1 3 383.416 0.617 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574469333 949475726 /nfs/dbraw/zinc/47/57/26/949475726.db2.gz BUJQXFNWDBVWJY-KRWDZBQOSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574469333 949475740 /nfs/dbraw/zinc/47/57/40/949475740.db2.gz BUJQXFNWDBVWJY-KRWDZBQOSA-N -1 3 384.448 0.762 20 0 GCADHM C[C@]1(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)CCNC(=O)C1 ZINC001575536810 949475890 /nfs/dbraw/zinc/47/58/90/949475890.db2.gz MIRFSIAADIALMT-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)CCNC(=O)C1 ZINC001575536810 949475906 /nfs/dbraw/zinc/47/59/06/949475906.db2.gz MIRFSIAADIALMT-SFHVURJKSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)CC(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001574117539 949476054 /nfs/dbraw/zinc/47/60/54/949476054.db2.gz WYEJZBXMZBAQJV-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM CC(C)CC(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001574117539 949476066 /nfs/dbraw/zinc/47/60/66/949476066.db2.gz WYEJZBXMZBAQJV-UHFFFAOYSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574707817 949475826 /nfs/dbraw/zinc/47/58/26/949475826.db2.gz QPJGGOJWBPIXBH-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCCS1(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574707817 949475838 /nfs/dbraw/zinc/47/58/38/949475838.db2.gz QPJGGOJWBPIXBH-ZYHUDNBSSA-N -1 3 379.446 0.098 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574948967 949477035 /nfs/dbraw/zinc/47/70/35/949477035.db2.gz OQTQQQLCARYCMO-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574948967 949477051 /nfs/dbraw/zinc/47/70/51/949477051.db2.gz OQTQQQLCARYCMO-LLVKDONJSA-N -1 3 382.432 0.372 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575266576 949479715 /nfs/dbraw/zinc/47/97/15/949479715.db2.gz ZPNNTEUQMGXOAK-SMDDNHRTSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@H](NC(=O)CC(C)(C)C)[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575266576 949479727 /nfs/dbraw/zinc/47/97/27/949479727.db2.gz ZPNNTEUQMGXOAK-SMDDNHRTSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574707996 949480007 /nfs/dbraw/zinc/48/00/07/949480007.db2.gz RQUMHPCRIDTRRL-CMPLNLGQSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574707996 949480020 /nfs/dbraw/zinc/48/00/20/949480020.db2.gz RQUMHPCRIDTRRL-CMPLNLGQSA-N -1 3 382.432 0.759 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574469772 949480550 /nfs/dbraw/zinc/48/05/50/949480550.db2.gz GVCFVRUWLIRHLK-GFCCVEGCSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1ncnc1CN1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574469772 949480564 /nfs/dbraw/zinc/48/05/64/949480564.db2.gz GVCFVRUWLIRHLK-GFCCVEGCSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)(C)C(=O)NCc1nc(CNc2cnc(-c3nnn[n-]3)cn2)cc(=O)[nH]1 ZINC001573805939 949480890 /nfs/dbraw/zinc/48/08/90/949480890.db2.gz DVCLVVPEFNKGTO-UHFFFAOYSA-N -1 3 384.404 0.427 20 0 GCADHM CC(C)n1nccc1C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574469747 949481675 /nfs/dbraw/zinc/48/16/75/949481675.db2.gz GMHRGYHYBSHODK-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC(C)n1nccc1C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574469747 949481688 /nfs/dbraw/zinc/48/16/88/949481688.db2.gz GMHRGYHYBSHODK-UHFFFAOYSA-N -1 3 383.416 0.474 20 0 GCADHM CC1(C(=O)N2CCC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCC1 ZINC001575536871 949482446 /nfs/dbraw/zinc/48/24/46/949482446.db2.gz OAHAXGMROPYWKJ-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC1(C(=O)N2CCC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCC1 ZINC001575536871 949482469 /nfs/dbraw/zinc/48/24/69/949482469.db2.gz OAHAXGMROPYWKJ-UHFFFAOYSA-N -1 3 387.444 0.468 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574949015 949482922 /nfs/dbraw/zinc/48/29/22/949482922.db2.gz PRYLGKDHYADXAP-GFCCVEGCSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574949015 949482939 /nfs/dbraw/zinc/48/29/39/949482939.db2.gz PRYLGKDHYADXAP-GFCCVEGCSA-N -1 3 384.448 0.841 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574949094 949483231 /nfs/dbraw/zinc/48/32/31/949483231.db2.gz QPUCKBKEMACXSA-VIFPVBQESA-N -1 3 386.395 0.487 20 0 GCADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574949094 949483249 /nfs/dbraw/zinc/48/32/49/949483249.db2.gz QPUCKBKEMACXSA-VIFPVBQESA-N -1 3 386.395 0.487 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574470157 949487891 /nfs/dbraw/zinc/48/78/91/949487891.db2.gz NULNGPLEZKPEAF-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM CC(C)n1ncnc1CN(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574470157 949487905 /nfs/dbraw/zinc/48/79/05/949487905.db2.gz NULNGPLEZKPEAF-ZDUSSCGKSA-N -1 3 384.448 0.714 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575537189 949490895 /nfs/dbraw/zinc/49/08/95/949490895.db2.gz SXZWRXRHUDZBMZ-MLGOLLRUSA-N -1 3 392.441 0.209 20 0 GCADHM C[C@]1(C(=O)N2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575537189 949490910 /nfs/dbraw/zinc/49/09/10/949490910.db2.gz SXZWRXRHUDZBMZ-MLGOLLRUSA-N -1 3 392.441 0.209 20 0 GCADHM CC(C)n1ncnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001574470286 949494304 /nfs/dbraw/zinc/49/43/04/949494304.db2.gz AQKIGCGMHNEEOW-UGFHNGPFSA-N -1 3 396.459 0.903 20 0 GCADHM CC(C)n1ncnc1CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001574470286 949494322 /nfs/dbraw/zinc/49/43/22/949494322.db2.gz AQKIGCGMHNEEOW-UGFHNGPFSA-N -1 3 396.459 0.903 20 0 GCADHM C[C@@]1(C(=O)N2CCC(Nc3ccc(-c4nnn[n-]4)nc3)CC2)CCC(=O)NC1 ZINC001575537538 949496831 /nfs/dbraw/zinc/49/68/31/949496831.db2.gz WQMAJIOQRJFZLM-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC(Nc3ccc(-c4nn[n-]n4)nc3)CC2)CCC(=O)NC1 ZINC001575537538 949496848 /nfs/dbraw/zinc/49/68/48/949496848.db2.gz WQMAJIOQRJFZLM-GOSISDBHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575537712 949496879 /nfs/dbraw/zinc/49/68/79/949496879.db2.gz ANXOKGKSJYZTIO-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575537712 949496894 /nfs/dbraw/zinc/49/68/94/949496894.db2.gz ANXOKGKSJYZTIO-UGSOOPFHSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)CNc1nccnc1-c1nnn[n-]1 ZINC001574949559 949497293 /nfs/dbraw/zinc/49/72/93/949497293.db2.gz XVMMNLQHUXDUJG-LBPRGKRZSA-N -1 3 384.448 0.841 20 0 GCADHM CC(C)c1nccn1CC(=O)NC[C@H](C)CNc1nccnc1-c1nn[n-]n1 ZINC001574949559 949497303 /nfs/dbraw/zinc/49/73/03/949497303.db2.gz XVMMNLQHUXDUJG-LBPRGKRZSA-N -1 3 384.448 0.841 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCNC(=O)C1 ZINC001575537706 949499318 /nfs/dbraw/zinc/49/93/18/949499318.db2.gz ANXOKGKSJYZTIO-ACJLOTCBSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCNC(=O)C1 ZINC001575537706 949499331 /nfs/dbraw/zinc/49/93/31/949499331.db2.gz ANXOKGKSJYZTIO-ACJLOTCBSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCCS1(=O)=O ZINC001575537772 949501450 /nfs/dbraw/zinc/50/14/50/949501450.db2.gz XRTMIJLRLALRFH-BLLLJJGKSA-N -1 3 391.457 0.242 20 0 GCADHM C[C@]1(C(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCCS1(=O)=O ZINC001575537772 949501465 /nfs/dbraw/zinc/50/14/65/949501465.db2.gz XRTMIJLRLALRFH-BLLLJJGKSA-N -1 3 391.457 0.242 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1ccnc1 ZINC001573808002 949502378 /nfs/dbraw/zinc/50/23/78/949502378.db2.gz CANCGHAVFBMQHV-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574470472 949503090 /nfs/dbraw/zinc/50/30/90/949503090.db2.gz BWBJNZZGIRWAPX-ZJUUUORDSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574470472 949503110 /nfs/dbraw/zinc/50/31/10/949503110.db2.gz BWBJNZZGIRWAPX-ZJUUUORDSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@@]1(C(=O)N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCCOC1 ZINC001575537779 949502996 /nfs/dbraw/zinc/50/29/96/949502996.db2.gz XRVXDSPNTYDOIX-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCCOC1 ZINC001575537779 949503014 /nfs/dbraw/zinc/50/30/14/949503014.db2.gz XRVXDSPNTYDOIX-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871088 949503639 /nfs/dbraw/zinc/50/36/39/949503639.db2.gz YRXMBIVLKGFYIB-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871088 949503656 /nfs/dbraw/zinc/50/36/56/949503656.db2.gz YRXMBIVLKGFYIB-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871089 949505115 /nfs/dbraw/zinc/50/51/15/949505115.db2.gz YRXMBIVLKGFYIB-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871089 949505136 /nfs/dbraw/zinc/50/51/36/949505136.db2.gz YRXMBIVLKGFYIB-WCQYABFASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCOC1 ZINC001575537910 949505741 /nfs/dbraw/zinc/50/57/41/949505741.db2.gz BRFFBHHOXUMXSR-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCOC1 ZINC001575537910 949505759 /nfs/dbraw/zinc/50/57/59/949505759.db2.gz BRFFBHHOXUMXSR-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949676 949506653 /nfs/dbraw/zinc/50/66/53/949506653.db2.gz AJBCEPWLPAGNFI-KCJUWKMLSA-N -1 3 378.824 0.135 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949676 949506662 /nfs/dbraw/zinc/50/66/62/949506662.db2.gz AJBCEPWLPAGNFI-KCJUWKMLSA-N -1 3 378.824 0.135 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574709437 949508089 /nfs/dbraw/zinc/50/80/89/949508089.db2.gz ZLMLBKJGLKNRBW-ZYHUDNBSSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574709437 949508112 /nfs/dbraw/zinc/50/81/12/949508112.db2.gz ZLMLBKJGLKNRBW-ZYHUDNBSSA-N -1 3 382.432 0.759 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001575267979 949512193 /nfs/dbraw/zinc/51/21/93/949512193.db2.gz KXPDEIQJQMPRTB-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)CC1CCC1)[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001575267979 949512204 /nfs/dbraw/zinc/51/22/04/949512204.db2.gz KXPDEIQJQMPRTB-ABAIWWIYSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808216 949513836 /nfs/dbraw/zinc/51/38/36/949513836.db2.gz FAOQRAAQDCPEPM-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808216 949513855 /nfs/dbraw/zinc/51/38/55/949513855.db2.gz FAOQRAAQDCPEPM-FZMZJTMJSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](NC(=O)C[C@@H]1CCCCO1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575268503 949517244 /nfs/dbraw/zinc/51/72/44/949517244.db2.gz NEUNLXKYJHHZKL-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)C[C@@H]1CCCCO1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575268503 949517257 /nfs/dbraw/zinc/51/72/57/949517257.db2.gz NEUNLXKYJHHZKL-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574710768 949518714 /nfs/dbraw/zinc/51/87/14/949518714.db2.gz BBTDESKSEODDCO-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574710768 949518734 /nfs/dbraw/zinc/51/87/34/949518734.db2.gz BBTDESKSEODDCO-OLZOCXBDSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2=CCOCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575871800 949519081 /nfs/dbraw/zinc/51/90/81/949519081.db2.gz CCGCNHFAHDCFQG-WCQYABFASA-N -1 3 385.428 0.651 20 0 GCADHM C[C@H]1[C@H](NC(=O)C2=CCOCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575871800 949519090 /nfs/dbraw/zinc/51/90/90/949519090.db2.gz CCGCNHFAHDCFQG-WCQYABFASA-N -1 3 385.428 0.651 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001573808636 949519381 /nfs/dbraw/zinc/51/93/81/949519381.db2.gz HJEJEOCDVHIEKT-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001573808636 949519397 /nfs/dbraw/zinc/51/93/97/949519397.db2.gz HJEJEOCDVHIEKT-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COCC1CC1 ZINC001573808678 949521435 /nfs/dbraw/zinc/52/14/35/949521435.db2.gz IBKAFGVNNPXILV-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COCC1CC1 ZINC001573808678 949521448 /nfs/dbraw/zinc/52/14/48/949521448.db2.gz IBKAFGVNNPXILV-CQSZACIVSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H](CC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574471055 949521731 /nfs/dbraw/zinc/52/17/31/949521731.db2.gz IHOUMXMEJIIHQV-KPPDAEKUSA-N -1 3 390.423 0.854 20 0 GCADHM C[C@H](CC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574471055 949521749 /nfs/dbraw/zinc/52/17/49/949521749.db2.gz IHOUMXMEJIIHQV-KPPDAEKUSA-N -1 3 390.423 0.854 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575538456 949523065 /nfs/dbraw/zinc/52/30/65/949523065.db2.gz HDFQLNHTSRATBD-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575538456 949523081 /nfs/dbraw/zinc/52/30/81/949523081.db2.gz HDFQLNHTSRATBD-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574950029 949523648 /nfs/dbraw/zinc/52/36/48/949523648.db2.gz KAMAVCIDHZPICO-KWQFWETISA-N -1 3 378.824 0.358 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574950029 949523661 /nfs/dbraw/zinc/52/36/61/949523661.db2.gz KAMAVCIDHZPICO-KWQFWETISA-N -1 3 378.824 0.358 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C1=COCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808656 949524810 /nfs/dbraw/zinc/52/48/10/949524810.db2.gz HTYDYXJHZIRFPB-ZDUSSCGKSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)C1=COCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808656 949524824 /nfs/dbraw/zinc/52/48/24/949524824.db2.gz HTYDYXJHZIRFPB-ZDUSSCGKSA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cn1cccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573808940 949525847 /nfs/dbraw/zinc/52/58/47/949525847.db2.gz JRWGSYCJMKXYCZ-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cn1cccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573808940 949525874 /nfs/dbraw/zinc/52/58/74/949525874.db2.gz JRWGSYCJMKXYCZ-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575538708 949527578 /nfs/dbraw/zinc/52/75/78/949527578.db2.gz JBPFZFQAQNYDLT-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575538708 949527598 /nfs/dbraw/zinc/52/75/98/949527598.db2.gz JBPFZFQAQNYDLT-FZKQIMNGSA-N -1 3 384.444 0.581 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cnoc1 ZINC001573809016 949528839 /nfs/dbraw/zinc/52/88/39/949528839.db2.gz KUMYGNYIVDYQEF-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cnoc1 ZINC001573809016 949528852 /nfs/dbraw/zinc/52/88/52/949528852.db2.gz KUMYGNYIVDYQEF-ZDUSSCGKSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001573809240 949535548 /nfs/dbraw/zinc/53/55/48/949535548.db2.gz NRTURZMYVNLZSF-CYBMUJFWSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CC1(O)CCC1 ZINC001573809240 949535570 /nfs/dbraw/zinc/53/55/70/949535570.db2.gz NRTURZMYVNLZSF-CYBMUJFWSA-N -1 3 389.460 0.761 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576163432 949536474 /nfs/dbraw/zinc/53/64/74/949536474.db2.gz BERYHNOQYKHQIH-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1CCCC[C@@H]1OCC(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576163432 949536480 /nfs/dbraw/zinc/53/64/80/949536480.db2.gz BERYHNOQYKHQIH-NHYWBVRUSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1n[nH]cc1F ZINC001573809349 949537984 /nfs/dbraw/zinc/53/79/84/949537984.db2.gz OIAPWXHWNYCXMO-NSHDSACASA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1n[nH]cc1F ZINC001573809349 949538000 /nfs/dbraw/zinc/53/80/00/949538000.db2.gz OIAPWXHWNYCXMO-NSHDSACASA-N -1 3 389.395 0.632 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573809370 949538807 /nfs/dbraw/zinc/53/88/07/949538807.db2.gz OUASZFHCKOTBRH-FNFWKMNBSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@]12C[C@H]1COC2 ZINC001573809370 949538821 /nfs/dbraw/zinc/53/88/21/949538821.db2.gz OUASZFHCKOTBRH-FNFWKMNBSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711398 949539103 /nfs/dbraw/zinc/53/91/03/949539103.db2.gz GUAXKXGLCLAILO-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711398 949539117 /nfs/dbraw/zinc/53/91/17/949539117.db2.gz GUAXKXGLCLAILO-CHWSQXEVSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573809246 949539318 /nfs/dbraw/zinc/53/93/18/949539318.db2.gz NVMHSYYTCSJRBS-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573809246 949539329 /nfs/dbraw/zinc/53/93/29/949539329.db2.gz NVMHSYYTCSJRBS-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)Cc1c[nH]cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809480 949541322 /nfs/dbraw/zinc/54/13/22/949541322.db2.gz QLPIQOWJPJFCRI-CYBMUJFWSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574711483 949542456 /nfs/dbraw/zinc/54/24/56/949542456.db2.gz HRZIAYAGTOXCRP-UWVGGRQHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574711483 949542466 /nfs/dbraw/zinc/54/24/66/949542466.db2.gz HRZIAYAGTOXCRP-UWVGGRQHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOC1 ZINC001575539134 949542790 /nfs/dbraw/zinc/54/27/90/949542790.db2.gz NCNQLTJIBPEVCS-SGTLLEGYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOC1 ZINC001575539134 949542812 /nfs/dbraw/zinc/54/28/12/949542812.db2.gz NCNQLTJIBPEVCS-SGTLLEGYSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575872212 949542971 /nfs/dbraw/zinc/54/29/71/949542971.db2.gz HLPJKAZPFRCRIH-TZMCWYRMSA-N -1 3 387.444 0.888 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575872212 949542991 /nfs/dbraw/zinc/54/29/91/949542991.db2.gz HLPJKAZPFRCRIH-TZMCWYRMSA-N -1 3 387.444 0.888 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1(O)CCC1 ZINC001573809423 949543124 /nfs/dbraw/zinc/54/31/24/949543124.db2.gz POVISXFZAFAFSJ-CYBMUJFWSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1(O)CCC1 ZINC001573809423 949543140 /nfs/dbraw/zinc/54/31/40/949543140.db2.gz POVISXFZAFAFSJ-CYBMUJFWSA-N -1 3 389.460 0.761 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001573809448 949544033 /nfs/dbraw/zinc/54/40/33/949544033.db2.gz PWXWHEZBFGGPHS-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001573809448 949544050 /nfs/dbraw/zinc/54/40/50/949544050.db2.gz PWXWHEZBFGGPHS-BXUZGUMPSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576164237 949548407 /nfs/dbraw/zinc/54/84/07/949548407.db2.gz FSFMGJQEEZHNDE-BXUZGUMPSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@@H]1CCCC[C@H]1OCC(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576164237 949548427 /nfs/dbraw/zinc/54/84/27/949548427.db2.gz FSFMGJQEEZHNDE-BXUZGUMPSA-N -1 3 375.433 0.636 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576164211 949549052 /nfs/dbraw/zinc/54/90/52/949549052.db2.gz FBLJXKHBJQFRIQ-GXTWGEPZSA-N -1 3 386.460 0.400 20 0 GCADHM C[C@H]1CCCCN1C(=O)CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576164212 949549216 /nfs/dbraw/zinc/54/92/16/949549216.db2.gz FBLJXKHBJQFRIQ-JSGCOSHPSA-N -1 3 386.460 0.400 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573809717 949552092 /nfs/dbraw/zinc/55/20/92/949552092.db2.gz UCYHEOQJQWEUAL-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573809717 949552107 /nfs/dbraw/zinc/55/21/07/949552107.db2.gz UCYHEOQJQWEUAL-LBPRGKRZSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575269536 949555364 /nfs/dbraw/zinc/55/53/64/949555364.db2.gz VOLSFZIAIRHMFU-VHSXEESVSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575269536 949555382 /nfs/dbraw/zinc/55/53/82/949555382.db2.gz VOLSFZIAIRHMFU-VHSXEESVSA-N -1 3 379.446 0.002 20 0 GCADHM CC1(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(-c4nnn[n-]4)c[nH]2)CCO3)CC1 ZINC001575540424 949566041 /nfs/dbraw/zinc/56/60/41/949566041.db2.gz XKUZTHNVSHILSN-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM CC1(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(-c4nn[n-]n4)c[nH]2)CCO3)CC1 ZINC001575540424 949566050 /nfs/dbraw/zinc/56/60/50/949566050.db2.gz XKUZTHNVSHILSN-SFHVURJKSA-N -1 3 385.428 0.438 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1csnn1 ZINC001573810145 949566764 /nfs/dbraw/zinc/56/67/64/949566764.db2.gz ZVLZINCWQJGHLM-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1csnn1 ZINC001573810145 949566780 /nfs/dbraw/zinc/56/67/80/949566780.db2.gz ZVLZINCWQJGHLM-NSHDSACASA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575540646 949571191 /nfs/dbraw/zinc/57/11/91/949571191.db2.gz YTQVECYWDDHNTC-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575540646 949571206 /nfs/dbraw/zinc/57/12/06/949571206.db2.gz YTQVECYWDDHNTC-SCLBCKFNSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574475494 949572279 /nfs/dbraw/zinc/57/22/79/949572279.db2.gz AYIADCHBLGLQSF-GHMZBOCLSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574475494 949572294 /nfs/dbraw/zinc/57/22/94/949572294.db2.gz AYIADCHBLGLQSF-GHMZBOCLSA-N -1 3 390.423 0.490 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575270026 949573366 /nfs/dbraw/zinc/57/33/66/949573366.db2.gz ACAZNVXLNRYOKM-OLZOCXBDSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575270026 949573382 /nfs/dbraw/zinc/57/33/82/949573382.db2.gz ACAZNVXLNRYOKM-OLZOCXBDSA-N -1 3 386.460 0.638 20 0 GCADHM C[C@@]1(C(=O)N2CCC3(CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)CCOC1 ZINC001575540615 949573927 /nfs/dbraw/zinc/57/39/27/949573927.db2.gz YEHRDOPRSRFGJG-QGZVFWFLSA-N -1 3 385.428 0.296 20 0 GCADHM C[C@@]1(C(=O)N2CCC3(CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)C2)CCOC1 ZINC001575540615 949573936 /nfs/dbraw/zinc/57/39/36/949573936.db2.gz YEHRDOPRSRFGJG-QGZVFWFLSA-N -1 3 385.428 0.296 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001573810837 949580113 /nfs/dbraw/zinc/58/01/13/949580113.db2.gz DQOTZTDRDWQYDN-DGCLKSJQSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CCNC1=O ZINC001573810837 949580130 /nfs/dbraw/zinc/58/01/30/949580130.db2.gz DQOTZTDRDWQYDN-DGCLKSJQSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001576166638 949583915 /nfs/dbraw/zinc/58/39/15/949583915.db2.gz NBUWBRRATQSUHF-GFCCVEGCSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCCCN1C(=O)CN1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001576166638 949583928 /nfs/dbraw/zinc/58/39/28/949583928.db2.gz NBUWBRRATQSUHF-GFCCVEGCSA-N -1 3 386.460 0.257 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCn1ccnn1 ZINC001573810954 949583995 /nfs/dbraw/zinc/58/39/95/949583995.db2.gz FZKGUZJCFJRUPN-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCn1ccnn1 ZINC001573810954 949584010 /nfs/dbraw/zinc/58/40/10/949584010.db2.gz FZKGUZJCFJRUPN-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)n1cccc1 ZINC001574476119 949588165 /nfs/dbraw/zinc/58/81/65/949588165.db2.gz AIWAZNQDBCZCGY-AWEZNQCLSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)n1cccc1 ZINC001574476119 949588180 /nfs/dbraw/zinc/58/81/80/949588180.db2.gz AIWAZNQDBCZCGY-AWEZNQCLSA-N -1 3 384.444 0.947 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575873709 949588428 /nfs/dbraw/zinc/58/84/28/949588428.db2.gz CARXZWWVENJBTJ-JSGCOSHPSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CCn2cccc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575873709 949588448 /nfs/dbraw/zinc/58/84/48/949588448.db2.gz CARXZWWVENJBTJ-JSGCOSHPSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574476197 949591753 /nfs/dbraw/zinc/59/17/53/949591753.db2.gz BPUDGZXWQMZUHJ-DIFFPNOSSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574476197 949591774 /nfs/dbraw/zinc/59/17/74/949591774.db2.gz BPUDGZXWQMZUHJ-DIFFPNOSSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1)NC(N)=O ZINC001574476283 949593220 /nfs/dbraw/zinc/59/32/20/949593220.db2.gz FUUIBCPWFRZRKP-ZJUUUORDSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1)NC(N)=O ZINC001574476283 949593238 /nfs/dbraw/zinc/59/32/38/949593238.db2.gz FUUIBCPWFRZRKP-ZJUUUORDSA-N -1 3 378.412 0.712 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575873817 949593463 /nfs/dbraw/zinc/59/34/63/949593463.db2.gz QFOMNJGIPYDUDJ-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575873817 949593481 /nfs/dbraw/zinc/59/34/81/949593481.db2.gz QFOMNJGIPYDUDJ-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001574476270 949594735 /nfs/dbraw/zinc/59/47/35/949594735.db2.gz FTKPUEIMFVBLOF-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001574476270 949594750 /nfs/dbraw/zinc/59/47/50/949594750.db2.gz FTKPUEIMFVBLOF-XHDPSFHLSA-N -1 3 387.444 0.683 20 0 GCADHM CC(C)(C)[C@@H](CNCc1csnn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573811504 949600026 /nfs/dbraw/zinc/60/00/26/949600026.db2.gz LAKFGXSMAKEDJH-GFCCVEGCSA-N -1 3 375.462 0.981 20 0 GCADHM CC(C)(C)[C@@H](CNCc1csnn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573811504 949600043 /nfs/dbraw/zinc/60/00/43/949600043.db2.gz LAKFGXSMAKEDJH-GFCCVEGCSA-N -1 3 375.462 0.981 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575874231 949605812 /nfs/dbraw/zinc/60/58/12/949605812.db2.gz SJHAEXHOGGTOBX-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)C2CCOCC2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575874231 949605828 /nfs/dbraw/zinc/60/58/28/949605828.db2.gz SJHAEXHOGGTOBX-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC001574476575 949607453 /nfs/dbraw/zinc/60/74/53/949607453.db2.gz IEGADSHENPUQHV-LLVKDONJSA-N -1 3 385.432 0.310 20 0 GCADHM C[C@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC001574476575 949607467 /nfs/dbraw/zinc/60/74/67/949607467.db2.gz IEGADSHENPUQHV-LLVKDONJSA-N -1 3 385.432 0.310 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574713710 949607824 /nfs/dbraw/zinc/60/78/24/949607824.db2.gz BKESRNVSCIKMHD-KOLCDFICSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574713710 949607836 /nfs/dbraw/zinc/60/78/36/949607836.db2.gz BKESRNVSCIKMHD-KOLCDFICSA-N -1 3 376.396 0.328 20 0 GCADHM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575271100 949608580 /nfs/dbraw/zinc/60/85/80/949608580.db2.gz IHFZPIVYHVQAKC-QWRGUYRKSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575271100 949608597 /nfs/dbraw/zinc/60/85/97/949608597.db2.gz IHFZPIVYHVQAKC-QWRGUYRKSA-N -1 3 381.462 0.392 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575874358 949609067 /nfs/dbraw/zinc/60/90/67/949609067.db2.gz GAOILVDFRANCIW-ZWNOBZJWSA-N -1 3 390.423 0.530 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575874358 949609082 /nfs/dbraw/zinc/60/90/82/949609082.db2.gz GAOILVDFRANCIW-ZWNOBZJWSA-N -1 3 390.423 0.530 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574713662 949609439 /nfs/dbraw/zinc/60/94/39/949609439.db2.gz AORPWHYQPXLEFX-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574713662 949609450 /nfs/dbraw/zinc/60/94/50/949609450.db2.gz AORPWHYQPXLEFX-QGHHPUGFSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574957351 949609834 /nfs/dbraw/zinc/60/98/34/949609834.db2.gz VUJBBNVJEGSOMH-CABZTGNLSA-N -1 3 391.411 0.108 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574957351 949609847 /nfs/dbraw/zinc/60/98/47/949609847.db2.gz VUJBBNVJEGSOMH-CABZTGNLSA-N -1 3 391.411 0.108 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574476620 949610031 /nfs/dbraw/zinc/61/00/31/949610031.db2.gz FFVFHNNUDYYNRJ-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574476620 949610049 /nfs/dbraw/zinc/61/00/49/949610049.db2.gz FFVFHNNUDYYNRJ-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574476616 949611526 /nfs/dbraw/zinc/61/15/26/949611526.db2.gz FCXROTVHDTUGHA-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574476616 949611539 /nfs/dbraw/zinc/61/15/39/949611539.db2.gz FCXROTVHDTUGHA-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001574127419 949614968 /nfs/dbraw/zinc/61/49/68/949614968.db2.gz HQADXQQAJKYXTA-KGLIPLIRSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)CC(C)(C)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001574127419 949614976 /nfs/dbraw/zinc/61/49/76/949614976.db2.gz HQADXQQAJKYXTA-KGLIPLIRSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)cn2)CC1)NC(N)=O ZINC001574476698 949615916 /nfs/dbraw/zinc/61/59/16/949615916.db2.gz GIFLJTSLXYTGII-NSHDSACASA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CC(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)cn2)CC1)NC(N)=O ZINC001574476698 949615929 /nfs/dbraw/zinc/61/59/29/949615929.db2.gz GIFLJTSLXYTGII-NSHDSACASA-N -1 3 387.448 0.502 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574128064 949618050 /nfs/dbraw/zinc/61/80/50/949618050.db2.gz KSWYDFZYTJZQQH-LBPRGKRZSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)CC(C)(C)C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574128064 949618065 /nfs/dbraw/zinc/61/80/65/949618065.db2.gz KSWYDFZYTJZQQH-LBPRGKRZSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574476791 949618709 /nfs/dbraw/zinc/61/87/09/949618709.db2.gz KGRMDVNEZKCTBP-BDAKNGLRSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@H](CC(=O)N(C)C[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574476791 949618725 /nfs/dbraw/zinc/61/87/25/949618725.db2.gz KGRMDVNEZKCTBP-BDAKNGLRSA-N -1 3 379.400 0.107 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574713915 949619346 /nfs/dbraw/zinc/61/93/46/949619346.db2.gz ZLFZOFIABIOOOQ-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCc2cncn2C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574713915 949619362 /nfs/dbraw/zinc/61/93/62/949619362.db2.gz ZLFZOFIABIOOOQ-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCNC(N)=O ZINC001573812801 949621527 /nfs/dbraw/zinc/62/15/27/949621527.db2.gz UHZYRTGTXMHYNX-LLVKDONJSA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCNC(N)=O ZINC001573812801 949621539 /nfs/dbraw/zinc/62/15/39/949621539.db2.gz UHZYRTGTXMHYNX-LLVKDONJSA-N -1 3 375.437 0.263 20 0 GCADHM C[C@]1(C(=O)N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCCOC1 ZINC001575547178 949621844 /nfs/dbraw/zinc/62/18/44/949621844.db2.gz VQDTZGVXGXRCTB-SFHVURJKSA-N -1 3 387.444 0.686 20 0 GCADHM C[C@]1(C(=O)N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCCOC1 ZINC001575547178 949621858 /nfs/dbraw/zinc/62/18/58/949621858.db2.gz VQDTZGVXGXRCTB-SFHVURJKSA-N -1 3 387.444 0.686 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575874843 949622380 /nfs/dbraw/zinc/62/23/80/949622380.db2.gz HKFUEFFMYHQVQG-ZFWWWQNUSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575874843 949622396 /nfs/dbraw/zinc/62/23/96/949622396.db2.gz HKFUEFFMYHQVQG-ZFWWWQNUSA-N -1 3 386.460 0.067 20 0 GCADHM C[C@@H](NC(=O)CCCn1cccn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575271575 949623199 /nfs/dbraw/zinc/62/31/99/949623199.db2.gz KZLCRWFDSSOFLH-NEPJUHHUSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)CCCn1cccn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271575 949623215 /nfs/dbraw/zinc/62/32/15/949623215.db2.gz KZLCRWFDSSOFLH-NEPJUHHUSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCCn1cccn1 ZINC001575271576 949623517 /nfs/dbraw/zinc/62/35/17/949623517.db2.gz KZLCRWFDSSOFLH-NWDGAFQWSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCCn1cccn1 ZINC001575271576 949623530 /nfs/dbraw/zinc/62/35/30/949623530.db2.gz KZLCRWFDSSOFLH-NWDGAFQWSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001576168023 949626422 /nfs/dbraw/zinc/62/64/22/949626422.db2.gz SAJDOMRUFOXKFH-OLZOCXBDSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001576168023 949626432 /nfs/dbraw/zinc/62/64/32/949626432.db2.gz SAJDOMRUFOXKFH-OLZOCXBDSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576168038 949626517 /nfs/dbraw/zinc/62/65/17/949626517.db2.gz BGXWJYAGMQMUQD-RISCZKNCSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576168038 949626529 /nfs/dbraw/zinc/62/65/29/949626529.db2.gz BGXWJYAGMQMUQD-RISCZKNCSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)[C@H](C)NC(=O)CCNC(N)=O ZINC001575272065 949632497 /nfs/dbraw/zinc/63/24/97/949632497.db2.gz NBIUDDPTTSOVKY-JGVFFNPUSA-N -1 3 381.828 0.279 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)[C@H](C)NC(=O)CCNC(N)=O ZINC001575272065 949632507 /nfs/dbraw/zinc/63/25/07/949632507.db2.gz NBIUDDPTTSOVKY-JGVFFNPUSA-N -1 3 381.828 0.279 20 0 GCADHM CC(C)(C)[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)CCc1c[nH]cn1 ZINC001573814165 949636173 /nfs/dbraw/zinc/63/61/73/949636173.db2.gz AWUVHINHOPDISO-LBPRGKRZSA-N -1 3 384.448 0.377 20 0 GCADHM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1c[nH]cn1 ZINC001573814165 949636194 /nfs/dbraw/zinc/63/61/94/949636194.db2.gz AWUVHINHOPDISO-LBPRGKRZSA-N -1 3 384.448 0.377 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574957882 949637706 /nfs/dbraw/zinc/63/77/06/949637706.db2.gz BQQIOUVUPPGEDE-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574957882 949637714 /nfs/dbraw/zinc/63/77/14/949637714.db2.gz BQQIOUVUPPGEDE-LEWSCRJBSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574957881 949637796 /nfs/dbraw/zinc/63/77/96/949637796.db2.gz BQQIOUVUPPGEDE-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574957881 949637810 /nfs/dbraw/zinc/63/78/10/949637810.db2.gz BQQIOUVUPPGEDE-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575875869 949638194 /nfs/dbraw/zinc/63/81/94/949638194.db2.gz WIOIOAJMELADHT-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575875869 949638208 /nfs/dbraw/zinc/63/82/08/949638208.db2.gz WIOIOAJMELADHT-RISCZKNCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575875861 949638788 /nfs/dbraw/zinc/63/87/88/949638788.db2.gz WIOIOAJMELADHT-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CC2CCOCC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575875861 949638803 /nfs/dbraw/zinc/63/88/03/949638803.db2.gz WIOIOAJMELADHT-BXUZGUMPSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715195 949645025 /nfs/dbraw/zinc/64/50/25/949645025.db2.gz HMTZVTXUMKDRCX-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@](C)(O)C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715195 949645041 /nfs/dbraw/zinc/64/50/41/949645041.db2.gz HMTZVTXUMKDRCX-DYZYQPBXSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574715194 949645085 /nfs/dbraw/zinc/64/50/85/949645085.db2.gz HMTZVTXUMKDRCX-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@](C)(O)C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574715194 949645097 /nfs/dbraw/zinc/64/50/97/949645097.db2.gz HMTZVTXUMKDRCX-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574958042 949645405 /nfs/dbraw/zinc/64/54/05/949645405.db2.gz DHYWMSFVZGBXHU-QJPTWQEYSA-N -1 3 382.432 0.135 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575876311 949645389 /nfs/dbraw/zinc/64/53/89/949645389.db2.gz JTYABVWHVOKCEG-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575876311 949645399 /nfs/dbraw/zinc/64/53/99/949645399.db2.gz JTYABVWHVOKCEG-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@@H](NC(=O)CC[C@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575272618 949647142 /nfs/dbraw/zinc/64/71/42/949647142.db2.gz RGIVNRVRMIRXFU-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)CC[C@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575272618 949647158 /nfs/dbraw/zinc/64/71/58/949647158.db2.gz RGIVNRVRMIRXFU-NEPJUHHUSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@]1(C(=O)N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)CCOC1 ZINC001575547923 949649089 /nfs/dbraw/zinc/64/90/89/949649089.db2.gz KGDGSYMDAQTNGW-MRXNPFEDSA-N -1 3 377.836 0.990 20 0 GCADHM C[C@@]1(C(=O)N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)CCOC1 ZINC001575547923 949649097 /nfs/dbraw/zinc/64/90/97/949649097.db2.gz KGDGSYMDAQTNGW-MRXNPFEDSA-N -1 3 377.836 0.990 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574477224 949649412 /nfs/dbraw/zinc/64/94/12/949649412.db2.gz MBSQUDWUQKUUHF-DIFFPNOSSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574477224 949649425 /nfs/dbraw/zinc/64/94/25/949649425.db2.gz MBSQUDWUQKUUHF-DIFFPNOSSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](NC(=O)CCCn1ccnc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575272728 949650876 /nfs/dbraw/zinc/65/08/76/949650876.db2.gz SEVSHIQUTAJPLV-RYUDHWBXSA-N -1 3 385.432 0.495 20 0 GCADHM C[C@H](NC(=O)CCCn1ccnc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575272728 949650888 /nfs/dbraw/zinc/65/08/88/949650888.db2.gz SEVSHIQUTAJPLV-RYUDHWBXSA-N -1 3 385.432 0.495 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)CN1CCCC1=O ZINC001573815553 949651983 /nfs/dbraw/zinc/65/19/83/949651983.db2.gz IMNAMNKRXJAMEV-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)CN1CCCC1=O ZINC001573815553 949651997 /nfs/dbraw/zinc/65/19/97/949651997.db2.gz IMNAMNKRXJAMEV-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574131211 949653859 /nfs/dbraw/zinc/65/38/59/949653859.db2.gz BEXYKNBQTKEWGN-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574131211 949653867 /nfs/dbraw/zinc/65/38/67/949653867.db2.gz BEXYKNBQTKEWGN-GFCCVEGCSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575877161 949657638 /nfs/dbraw/zinc/65/76/38/949657638.db2.gz KYQGHHPEWABARO-GXTWGEPZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575877161 949657657 /nfs/dbraw/zinc/65/76/57/949657657.db2.gz KYQGHHPEWABARO-GXTWGEPZSA-N -1 3 382.432 0.417 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001574477467 949660392 /nfs/dbraw/zinc/66/03/92/949660392.db2.gz OGKZASZQMBCHGH-SMDDNHRTSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001574477467 949660406 /nfs/dbraw/zinc/66/04/06/949660406.db2.gz OGKZASZQMBCHGH-SMDDNHRTSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1CCCN(C(=O)CN2CCCC2)[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576169110 949662038 /nfs/dbraw/zinc/66/20/38/949662038.db2.gz FEOLPZSGDBBEDT-UONOGXRCSA-N -1 3 385.476 0.213 20 0 GCADHM C[C@@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574715707 949663475 /nfs/dbraw/zinc/66/34/75/949663475.db2.gz FJMHJNMFLWNHIH-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)CC1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574715707 949663489 /nfs/dbraw/zinc/66/34/89/949663489.db2.gz FJMHJNMFLWNHIH-NSHDSACASA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)CC1OCCCO1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574715717 949665166 /nfs/dbraw/zinc/66/51/66/949665166.db2.gz FOZWSLBKFZIGTA-SNVBAGLBSA-N -1 3 379.396 0.813 20 0 GCADHM C[C@H](CN(C)C(=O)CC1OCCCO1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574715717 949665183 /nfs/dbraw/zinc/66/51/83/949665183.db2.gz FOZWSLBKFZIGTA-SNVBAGLBSA-N -1 3 379.396 0.813 20 0 GCADHM C[C@H](CC(=O)N(C)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574477619 949666092 /nfs/dbraw/zinc/66/60/92/949666092.db2.gz SOWJBOGIQWDLIX-SECBINFHSA-N -1 3 378.462 0.018 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ncccc1-c1nnn[n-]1 ZINC001574958368 949667128 /nfs/dbraw/zinc/66/71/28/949667128.db2.gz PRQQJSLXTDPDPP-QWRGUYRKSA-N -1 3 384.400 0.590 20 0 GCADHM C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ncccc1-c1nn[n-]n1 ZINC001574958368 949667140 /nfs/dbraw/zinc/66/71/40/949667140.db2.gz PRQQJSLXTDPDPP-QWRGUYRKSA-N -1 3 384.400 0.590 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575877779 949671650 /nfs/dbraw/zinc/67/16/50/949671650.db2.gz MYQJJBCNZYGAQA-YPMHNXCESA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575877779 949671663 /nfs/dbraw/zinc/67/16/63/949671663.db2.gz MYQJJBCNZYGAQA-YPMHNXCESA-N -1 3 380.412 0.552 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)n1ccnc1 ZINC001574477650 949671921 /nfs/dbraw/zinc/67/19/21/949671921.db2.gz PWRYTMUIQUBYEG-CYBMUJFWSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@H](CC(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)n1ccnc1 ZINC001574477650 949671930 /nfs/dbraw/zinc/67/19/30/949671930.db2.gz PWRYTMUIQUBYEG-CYBMUJFWSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575548372 949672164 /nfs/dbraw/zinc/67/21/64/949672164.db2.gz YQJZFVBPUMBOEA-PXAZEXFGSA-N -1 3 391.407 0.467 20 0 GCADHM C[C@]1(C(=O)N2CCO[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575548372 949672179 /nfs/dbraw/zinc/67/21/79/949672179.db2.gz YQJZFVBPUMBOEA-PXAZEXFGSA-N -1 3 391.407 0.467 20 0 GCADHM C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576169265 949672522 /nfs/dbraw/zinc/67/25/22/949672522.db2.gz GBVPKYMSNFDNID-JQWIXIFHSA-N -1 3 383.420 0.057 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574477770 949674901 /nfs/dbraw/zinc/67/49/01/949674901.db2.gz RGRXFLCRGMFGAG-ZDUSSCGKSA-N -1 3 385.432 0.342 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574477770 949674918 /nfs/dbraw/zinc/67/49/18/949674918.db2.gz RGRXFLCRGMFGAG-ZDUSSCGKSA-N -1 3 385.432 0.342 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574132035 949675950 /nfs/dbraw/zinc/67/59/50/949675950.db2.gz PCCOJHKGJPSZMY-STQMWFEESA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@H](C)C(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574132035 949675960 /nfs/dbraw/zinc/67/59/60/949675960.db2.gz PCCOJHKGJPSZMY-STQMWFEESA-N -1 3 389.460 0.834 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575552220 949677585 /nfs/dbraw/zinc/67/75/85/949677585.db2.gz DNDCOTZZDMTHBD-LXIYXOSZSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575552220 949677601 /nfs/dbraw/zinc/67/76/01/949677601.db2.gz DNDCOTZZDMTHBD-LXIYXOSZSA-N -1 3 385.428 0.437 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001574477802 949677811 /nfs/dbraw/zinc/67/78/11/949677811.db2.gz SACNYZSTCOXCBY-IAQYHMDHSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001574477802 949677823 /nfs/dbraw/zinc/67/78/23/949677823.db2.gz SACNYZSTCOXCBY-IAQYHMDHSA-N -1 3 387.444 0.588 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574132174 949677740 /nfs/dbraw/zinc/67/77/40/949677740.db2.gz RTJDJQFOXZOPNU-XIKOKIGWSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574132174 949677752 /nfs/dbraw/zinc/67/77/52/949677752.db2.gz RTJDJQFOXZOPNU-XIKOKIGWSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574477798 949679230 /nfs/dbraw/zinc/67/92/30/949679230.db2.gz RZGGPDDSYOKQIP-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574477798 949679253 /nfs/dbraw/zinc/67/92/53/949679253.db2.gz RZGGPDDSYOKQIP-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574958569 949679979 /nfs/dbraw/zinc/67/99/79/949679979.db2.gz LHLWVNTXUKEJCI-WCFLWFBJSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574958569 949679997 /nfs/dbraw/zinc/67/99/97/949679997.db2.gz LHLWVNTXUKEJCI-WCFLWFBJSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575878787 949682083 /nfs/dbraw/zinc/68/20/83/949682083.db2.gz PCFVZCNYUOTVTI-WCQYABFASA-N -1 3 382.428 0.875 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ccc[nH]2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575878787 949682100 /nfs/dbraw/zinc/68/21/00/949682100.db2.gz PCFVZCNYUOTVTI-WCQYABFASA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574477888 949682504 /nfs/dbraw/zinc/68/25/04/949682504.db2.gz SQJCEGHBMDTWGG-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](CC(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574477888 949682517 /nfs/dbraw/zinc/68/25/17/949682517.db2.gz SQJCEGHBMDTWGG-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574958661 949684105 /nfs/dbraw/zinc/68/41/05/949684105.db2.gz MBWYKTOJDWOVLS-DDTOSNHZSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574958661 949684126 /nfs/dbraw/zinc/68/41/26/949684126.db2.gz MBWYKTOJDWOVLS-DDTOSNHZSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575879342 949684472 /nfs/dbraw/zinc/68/44/72/949684472.db2.gz QIGLKXCDUAEVNW-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)COCC2CC2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575879342 949684483 /nfs/dbraw/zinc/68/44/83/949684483.db2.gz QIGLKXCDUAEVNW-DGCLKSJQSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574958676 949685028 /nfs/dbraw/zinc/68/50/28/949685028.db2.gz MJDFIYZOMZYZBB-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccncc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574958676 949685045 /nfs/dbraw/zinc/68/50/45/949685045.db2.gz MJDFIYZOMZYZBB-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574132298 949688587 /nfs/dbraw/zinc/68/85/87/949688587.db2.gz VCYQNQNCBGTHLV-OCCSQVGLSA-N -1 3 389.460 0.834 20 0 GCADHM CC(C)C[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574132298 949688604 /nfs/dbraw/zinc/68/86/04/949688604.db2.gz VCYQNQNCBGTHLV-OCCSQVGLSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575553698 949692628 /nfs/dbraw/zinc/69/26/28/949692628.db2.gz OWCXRCCMKJTJSP-FVMIAERFSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@]1(C(=O)N2C[C@@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)CCOC1 ZINC001575553698 949692636 /nfs/dbraw/zinc/69/26/36/949692636.db2.gz OWCXRCCMKJTJSP-FVMIAERFSA-N -1 3 385.428 0.294 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574478034 949693485 /nfs/dbraw/zinc/69/34/85/949693485.db2.gz UNKFYPMXNGLQNJ-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574478034 949693498 /nfs/dbraw/zinc/69/34/98/949693498.db2.gz UNKFYPMXNGLQNJ-VXGBXAGGSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574478073 949694390 /nfs/dbraw/zinc/69/43/90/949694390.db2.gz XNPPMHXDVJCVRT-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574478073 949694405 /nfs/dbraw/zinc/69/44/05/949694405.db2.gz XNPPMHXDVJCVRT-GFCCVEGCSA-N -1 3 385.432 0.573 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573817144 949694872 /nfs/dbraw/zinc/69/48/72/949694872.db2.gz XOGJVEJONJLUSO-GFCCVEGCSA-N -1 3 383.416 0.602 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573817144 949694889 /nfs/dbraw/zinc/69/48/89/949694889.db2.gz XOGJVEJONJLUSO-GFCCVEGCSA-N -1 3 383.416 0.602 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574478032 949695826 /nfs/dbraw/zinc/69/58/26/949695826.db2.gz UNKFYPMXNGLQNJ-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574478032 949695835 /nfs/dbraw/zinc/69/58/35/949695835.db2.gz UNKFYPMXNGLQNJ-RYUDHWBXSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575880205 949698099 /nfs/dbraw/zinc/69/80/99/949698099.db2.gz SFGIGAJOUWRCQJ-WPRPVWTQSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@H]1[C@@H](NC(=O)COCC(F)F)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575880205 949698109 /nfs/dbraw/zinc/69/81/09/949698109.db2.gz SFGIGAJOUWRCQJ-WPRPVWTQSA-N -1 3 383.359 0.196 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001574478160 949698321 /nfs/dbraw/zinc/69/83/21/949698321.db2.gz XZSGISHWEINJDQ-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](CC(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001574478160 949698337 /nfs/dbraw/zinc/69/83/37/949698337.db2.gz XZSGISHWEINJDQ-LBPRGKRZSA-N -1 3 382.428 0.930 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574478145 949700320 /nfs/dbraw/zinc/70/03/20/949700320.db2.gz VRVXAWKKWRYYLZ-LBPRGKRZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574478145 949700341 /nfs/dbraw/zinc/70/03/41/949700341.db2.gz VRVXAWKKWRYYLZ-LBPRGKRZSA-N -1 3 382.428 0.836 20 0 GCADHM C[C@H](NC(=O)CCc1cncn1C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575275518 949702956 /nfs/dbraw/zinc/70/29/56/949702956.db2.gz DRTDRZIPXCSWCS-QWRGUYRKSA-N -1 3 385.432 0.184 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573817327 949703464 /nfs/dbraw/zinc/70/34/64/949703464.db2.gz ZJPLGXNUKUELPV-SMDDNHRTSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573817327 949703477 /nfs/dbraw/zinc/70/34/77/949703477.db2.gz ZJPLGXNUKUELPV-SMDDNHRTSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575880521 949703518 /nfs/dbraw/zinc/70/35/18/949703518.db2.gz TZRYSHAMYSPVPB-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575880521 949703529 /nfs/dbraw/zinc/70/35/29/949703529.db2.gz TZRYSHAMYSPVPB-ZYHUDNBSSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575880520 949704503 /nfs/dbraw/zinc/70/45/03/949704503.db2.gz TZRYSHAMYSPVPB-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575880520 949704515 /nfs/dbraw/zinc/70/45/15/949704515.db2.gz TZRYSHAMYSPVPB-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001574478392 949710000 /nfs/dbraw/zinc/71/00/00/949710000.db2.gz XGYRGLXHOVYZMN-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H](CC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001574478392 949710034 /nfs/dbraw/zinc/71/00/34/949710034.db2.gz XGYRGLXHOVYZMN-QMMMGPOBSA-N -1 3 385.350 0.972 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1CNC(=O)c1cocn1 ZINC001576170312 949712338 /nfs/dbraw/zinc/71/23/38/949712338.db2.gz KBODDNICMWLFOI-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1CNC(=O)c1cocn1 ZINC001576170312 949712362 /nfs/dbraw/zinc/71/23/62/949712362.db2.gz KBODDNICMWLFOI-YGRLFVJLSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCCO1 ZINC001574478572 949713908 /nfs/dbraw/zinc/71/39/08/949713908.db2.gz YZYYYCVHFYIMFS-XJKSGUPXSA-N -1 3 389.460 0.700 20 0 GCADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCCO1 ZINC001574478572 949713926 /nfs/dbraw/zinc/71/39/26/949713926.db2.gz YZYYYCVHFYIMFS-XJKSGUPXSA-N -1 3 389.460 0.700 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574134152 949717520 /nfs/dbraw/zinc/71/75/20/949717520.db2.gz HFDLEDNFRUZRJZ-VXGBXAGGSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574134152 949717534 /nfs/dbraw/zinc/71/75/34/949717534.db2.gz HFDLEDNFRUZRJZ-VXGBXAGGSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574959774 949717629 /nfs/dbraw/zinc/71/76/29/949717629.db2.gz SZDCUKZSYFHICA-MRVWCRGKSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574959774 949717649 /nfs/dbraw/zinc/71/76/49/949717649.db2.gz SZDCUKZSYFHICA-MRVWCRGKSA-N -1 3 381.444 0.740 20 0 GCADHM CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)CCn1ccnc1 ZINC001573818133 949717827 /nfs/dbraw/zinc/71/78/27/949717827.db2.gz GZOBYHHAEFIMHE-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)CCn1ccnc1 ZINC001573818133 949717839 /nfs/dbraw/zinc/71/78/39/949717839.db2.gz GZOBYHHAEFIMHE-CYBMUJFWSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574959773 949719170 /nfs/dbraw/zinc/71/91/70/949719170.db2.gz SZDCUKZSYFHICA-IACUBPJLSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574959773 949719184 /nfs/dbraw/zinc/71/91/84/949719184.db2.gz SZDCUKZSYFHICA-IACUBPJLSA-N -1 3 381.444 0.740 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716931 949719802 /nfs/dbraw/zinc/71/98/02/949719802.db2.gz RYSISJZDURTQOV-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CN(C)C(=O)C[C@H]1CCCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716931 949719810 /nfs/dbraw/zinc/71/98/10/949719810.db2.gz RYSISJZDURTQOV-VXGBXAGGSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881539 949724676 /nfs/dbraw/zinc/72/46/76/949724676.db2.gz YXIHEMZYZNRGQC-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@H](NC(=O)CCc2cn[nH]c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881539 949724687 /nfs/dbraw/zinc/72/46/87/949724687.db2.gz YXIHEMZYZNRGQC-ZWNOBZJWSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1cnn(C)c1 ZINC001575276793 949731211 /nfs/dbraw/zinc/73/12/11/949731211.db2.gz LOJLKOCFBTUQEL-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1cnn(C)c1 ZINC001575276793 949731223 /nfs/dbraw/zinc/73/12/23/949731223.db2.gz LOJLKOCFBTUQEL-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001574962435 949733920 /nfs/dbraw/zinc/73/39/20/949733920.db2.gz AJBCEPWLPAGNFI-GZMMTYOYSA-N -1 3 378.824 0.135 20 0 GCADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574962435 949733934 /nfs/dbraw/zinc/73/39/34/949733934.db2.gz AJBCEPWLPAGNFI-GZMMTYOYSA-N -1 3 378.824 0.135 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1nccn1C ZINC001575276866 949734054 /nfs/dbraw/zinc/73/40/54/949734054.db2.gz MEQWBXXGUJYJCY-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1nccn1C ZINC001575276866 949734059 /nfs/dbraw/zinc/73/40/59/949734059.db2.gz MEQWBXXGUJYJCY-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)CCOC1 ZINC001575558100 949734596 /nfs/dbraw/zinc/73/45/96/949734596.db2.gz OOHCBFTYABDFAG-LSIMKLPESA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)CCOC1 ZINC001575558100 949734601 /nfs/dbraw/zinc/73/46/01/949734601.db2.gz OOHCBFTYABDFAG-LSIMKLPESA-N -1 3 385.428 0.483 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574135709 949735161 /nfs/dbraw/zinc/73/51/61/949735161.db2.gz LRKCUKLPZFKCDO-GXTWGEPZSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574135709 949735179 /nfs/dbraw/zinc/73/51/79/949735179.db2.gz LRKCUKLPZFKCDO-GXTWGEPZSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001575558380 949737542 /nfs/dbraw/zinc/73/75/42/949737542.db2.gz OZLLGHAZUDKNCE-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001575558380 949737559 /nfs/dbraw/zinc/73/75/59/949737559.db2.gz OZLLGHAZUDKNCE-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnc1 ZINC001575881850 949738004 /nfs/dbraw/zinc/73/80/04/949738004.db2.gz CDRNHCAMSXOAAR-WCQYABFASA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574717728 949740298 /nfs/dbraw/zinc/74/02/98/949740298.db2.gz WUVXBSGTZQDWPW-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574717728 949740321 /nfs/dbraw/zinc/74/03/21/949740321.db2.gz WUVXBSGTZQDWPW-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CCNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574479728 949743212 /nfs/dbraw/zinc/74/32/12/949743212.db2.gz GJWUMZVZSPFZKY-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@@H](CCNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574479728 949743226 /nfs/dbraw/zinc/74/32/26/949743226.db2.gz GJWUMZVZSPFZKY-NWDGAFQWSA-N -1 3 387.448 0.359 20 0 GCADHM CC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)C3)CCOCC1 ZINC001575558492 949743883 /nfs/dbraw/zinc/74/38/83/949743883.db2.gz QCTSKNCORDOOOE-IPYPFGDCSA-N -1 3 399.455 0.873 20 0 GCADHM CC1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)C3)CCOCC1 ZINC001575558492 949743890 /nfs/dbraw/zinc/74/38/90/949743890.db2.gz QCTSKNCORDOOOE-IPYPFGDCSA-N -1 3 399.455 0.873 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCNC(=O)C1 ZINC001575558894 949747495 /nfs/dbraw/zinc/74/74/95/949747495.db2.gz TVAOYKVUAPMFLJ-KSSFIOAISA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCNC(=O)C1 ZINC001575558894 949747508 /nfs/dbraw/zinc/74/75/08/949747508.db2.gz TVAOYKVUAPMFLJ-KSSFIOAISA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccn1 ZINC001574480524 949753178 /nfs/dbraw/zinc/75/31/78/949753178.db2.gz JLGIWXFCTPIWMX-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccn1 ZINC001574480524 949753190 /nfs/dbraw/zinc/75/31/90/949753190.db2.gz JLGIWXFCTPIWMX-RYUDHWBXSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574480929 949756979 /nfs/dbraw/zinc/75/69/79/949756979.db2.gz LOPQFPGXVNRJGU-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574480929 949756994 /nfs/dbraw/zinc/75/69/94/949756994.db2.gz LOPQFPGXVNRJGU-AAEUAGOBSA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cccnn1 ZINC001575882199 949758895 /nfs/dbraw/zinc/75/88/95/949758895.db2.gz HSJNFIQQCLWADR-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cccnn1 ZINC001575882199 949758906 /nfs/dbraw/zinc/75/89/06/949758906.db2.gz HSJNFIQQCLWADR-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576171217 949759056 /nfs/dbraw/zinc/75/90/56/949759056.db2.gz PLIYDBXNGRXCQJ-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001576171217 949759072 /nfs/dbraw/zinc/75/90/72/949759072.db2.gz PLIYDBXNGRXCQJ-QMTHXVAHSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574480871 949760152 /nfs/dbraw/zinc/76/01/52/949760152.db2.gz KUYUGOILGUZAJM-UWVGGRQHSA-N -1 3 376.396 0.466 20 0 GCADHM C[C@@H](CC(=O)N1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574480871 949760161 /nfs/dbraw/zinc/76/01/61/949760161.db2.gz KUYUGOILGUZAJM-UWVGGRQHSA-N -1 3 376.396 0.466 20 0 GCADHM C[C@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575882266 949762181 /nfs/dbraw/zinc/76/21/81/949762181.db2.gz IEQIJLOKWNHGJN-OHJULZJPSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575882266 949762191 /nfs/dbraw/zinc/76/21/91/949762191.db2.gz IEQIJLOKWNHGJN-OHJULZJPSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574718199 949766471 /nfs/dbraw/zinc/76/64/71/949766471.db2.gz SZOFHQHVPYDTQC-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](CN(C)C(=O)CCCC(=O)N(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574718199 949766496 /nfs/dbraw/zinc/76/64/96/949766496.db2.gz SZOFHQHVPYDTQC-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](NC(=O)CCc1cccnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575278189 949766777 /nfs/dbraw/zinc/76/67/77/949766777.db2.gz UFVXOUVEIAXEFS-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1cccnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575278189 949766800 /nfs/dbraw/zinc/76/68/00/949766800.db2.gz UFVXOUVEIAXEFS-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574718269 949771655 /nfs/dbraw/zinc/77/16/55/949771655.db2.gz UVEAPILMKKWNOC-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)CC[C@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574718269 949771675 /nfs/dbraw/zinc/77/16/75/949771675.db2.gz UVEAPILMKKWNOC-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](NC(=O)CCc1cccnc1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575278853 949774895 /nfs/dbraw/zinc/77/48/95/949774895.db2.gz WGVKQEZIABDAMZ-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM C[C@@H](NC(=O)CCc1cccnc1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575278853 949774911 /nfs/dbraw/zinc/77/49/11/949774911.db2.gz WGVKQEZIABDAMZ-NEPJUHHUSA-N -1 3 382.428 0.846 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CCOCC1 ZINC001573821446 949777121 /nfs/dbraw/zinc/77/71/21/949777121.db2.gz CHIYLRUBJIAHGV-AWEZNQCLSA-N -1 3 388.476 0.537 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CCOCC1 ZINC001573821446 949777142 /nfs/dbraw/zinc/77/71/42/949777142.db2.gz CHIYLRUBJIAHGV-AWEZNQCLSA-N -1 3 388.476 0.537 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575560162 949779903 /nfs/dbraw/zinc/77/99/03/949779903.db2.gz LNKMROOIULHNEJ-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575560162 949779919 /nfs/dbraw/zinc/77/99/19/949779919.db2.gz LNKMROOIULHNEJ-LJMKFJKQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001576171812 949782469 /nfs/dbraw/zinc/78/24/69/949782469.db2.gz STYXVMCYIVAMLY-CYBMUJFWSA-N -1 3 392.485 0.935 20 0 GCADHM C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001576171812 949782483 /nfs/dbraw/zinc/78/24/83/949782483.db2.gz STYXVMCYIVAMLY-CYBMUJFWSA-N -1 3 392.485 0.935 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574481491 949784110 /nfs/dbraw/zinc/78/41/10/949784110.db2.gz QMDCQJDEMQYGER-OLZOCXBDSA-N -1 3 382.432 0.542 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001574964836 949785711 /nfs/dbraw/zinc/78/57/11/949785711.db2.gz AMYMSAASRYFFLX-VOJFVSQTSA-N -1 3 389.435 0.611 20 0 GCADHM C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574964836 949785723 /nfs/dbraw/zinc/78/57/23/949785723.db2.gz AMYMSAASRYFFLX-VOJFVSQTSA-N -1 3 389.435 0.611 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1n[nH]cc1F ZINC001575882749 949786818 /nfs/dbraw/zinc/78/68/18/949786818.db2.gz NVCHBUVCCHCDJQ-KCJUWKMLSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1n[nH]cc1F ZINC001575882749 949786838 /nfs/dbraw/zinc/78/68/38/949786838.db2.gz NVCHBUVCCHCDJQ-KCJUWKMLSA-N -1 3 387.379 0.480 20 0 GCADHM C[C@@]1(C(=O)NC2(CCO)CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575560496 949788392 /nfs/dbraw/zinc/78/83/92/949788392.db2.gz QOVNLCZGHVMBHQ-MRXNPFEDSA-N -1 3 392.485 0.408 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574965193 949789757 /nfs/dbraw/zinc/78/97/57/949789757.db2.gz CRKFOIVCXDDWHI-GLEZIHRCSA-N -1 3 378.824 0.500 20 0 GCADHM C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574965193 949789773 /nfs/dbraw/zinc/78/97/73/949789773.db2.gz CRKFOIVCXDDWHI-GLEZIHRCSA-N -1 3 378.824 0.500 20 0 GCADHM C[C@@H](NC(=O)COc1ccsc1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575280845 949791637 /nfs/dbraw/zinc/79/16/37/949791637.db2.gz AKRHFJCHSPKWPA-NXEZZACHSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@@H](NC(=O)COc1ccsc1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575280845 949791648 /nfs/dbraw/zinc/79/16/48/949791648.db2.gz AKRHFJCHSPKWPA-NXEZZACHSA-N -1 3 389.441 0.958 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882836 949793699 /nfs/dbraw/zinc/79/36/99/949793699.db2.gz OKYJXAMHMZHJHX-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCc1cn[nH]c1 ZINC001575882836 949793712 /nfs/dbraw/zinc/79/37/12/949793712.db2.gz OKYJXAMHMZHJHX-GWCFXTLKSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575882850 949793928 /nfs/dbraw/zinc/79/39/28/949793928.db2.gz ONWABVFFUIFDCR-RISCZKNCSA-N -1 3 385.407 0.771 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cn2cccn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575882850 949793947 /nfs/dbraw/zinc/79/39/47/949793947.db2.gz ONWABVFFUIFDCR-RISCZKNCSA-N -1 3 385.407 0.771 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574481673 949795096 /nfs/dbraw/zinc/79/50/96/949795096.db2.gz TWSVCHCOBQQAQZ-MNOVXSKESA-N -1 3 390.423 0.490 20 0 GCADHM C[C@H](CC(=O)N1CC[C@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574481673 949795110 /nfs/dbraw/zinc/79/51/10/949795110.db2.gz TWSVCHCOBQQAQZ-MNOVXSKESA-N -1 3 390.423 0.490 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CCC(=O)N1 ZINC001573822613 949798056 /nfs/dbraw/zinc/79/80/56/949798056.db2.gz KSBPTJRENOWYIY-NEPJUHHUSA-N -1 3 390.423 0.622 20 0 GCADHM CC(C)(C)[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CCC(=O)N1 ZINC001573822613 949798080 /nfs/dbraw/zinc/79/80/80/949798080.db2.gz KSBPTJRENOWYIY-NEPJUHHUSA-N -1 3 390.423 0.622 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575883114 949800055 /nfs/dbraw/zinc/80/00/55/949800055.db2.gz PUDJAPRMHMRDGW-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575883114 949800070 /nfs/dbraw/zinc/80/00/70/949800070.db2.gz PUDJAPRMHMRDGW-PWSUYJOCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574965548 949801358 /nfs/dbraw/zinc/80/13/58/949801358.db2.gz GVGQJRIEHSTIGW-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CNC(=O)[C@]12CCC[C@H]1OCC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574965548 949801379 /nfs/dbraw/zinc/80/13/79/949801379.db2.gz GVGQJRIEHSTIGW-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(Cl)no1 ZINC001575883108 949804565 /nfs/dbraw/zinc/80/45/65/949804565.db2.gz CQZATLKYHGFMDV-APPZFPTMSA-N -1 3 390.791 0.869 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(Cl)no1 ZINC001575883108 949804589 /nfs/dbraw/zinc/80/45/89/949804589.db2.gz CQZATLKYHGFMDV-APPZFPTMSA-N -1 3 390.791 0.869 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573822821 949805684 /nfs/dbraw/zinc/80/56/84/949805684.db2.gz NQWPPZALKNXION-WCQYABFASA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001573822821 949805706 /nfs/dbraw/zinc/80/57/06/949805706.db2.gz NQWPPZALKNXION-WCQYABFASA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)c1cccn1C ZINC001575883203 949806336 /nfs/dbraw/zinc/80/63/36/949806336.db2.gz PXYDOCIOWQCLFP-AAEUAGOBSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)c1cccn1C ZINC001575883203 949806358 /nfs/dbraw/zinc/80/63/58/949806358.db2.gz PXYDOCIOWQCLFP-AAEUAGOBSA-N -1 3 382.428 0.956 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1COCCO1 ZINC001573822814 949808262 /nfs/dbraw/zinc/80/82/62/949808262.db2.gz NNRKHSMGJDGBEF-OLZOCXBDSA-N -1 3 375.433 0.620 20 0 GCADHM CC(C)(C)[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1COCCO1 ZINC001573822814 949808287 /nfs/dbraw/zinc/80/82/87/949808287.db2.gz NNRKHSMGJDGBEF-OLZOCXBDSA-N -1 3 375.433 0.620 20 0 GCADHM C[C@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575281669 949811455 /nfs/dbraw/zinc/81/14/55/949811455.db2.gz ACIJIXDRDNLIBG-BPNCWPANSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@H](NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575281669 949811478 /nfs/dbraw/zinc/81/14/78/949811478.db2.gz ACIJIXDRDNLIBG-BPNCWPANSA-N -1 3 384.444 0.008 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574965697 949813567 /nfs/dbraw/zinc/81/35/67/949813567.db2.gz JNGVBTRMPPCHMB-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1c(Cl)cnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574965697 949813594 /nfs/dbraw/zinc/81/35/94/949813594.db2.gz JNGVBTRMPPCHMB-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](NC(=O)CN1CC([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001575281695 949816781 /nfs/dbraw/zinc/81/67/81/949816781.db2.gz AHXRBILYVBWHAS-GHMZBOCLSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H](NC(=O)CN1CC([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575281695 949816804 /nfs/dbraw/zinc/81/68/04/949816804.db2.gz AHXRBILYVBWHAS-GHMZBOCLSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575883516 949817366 /nfs/dbraw/zinc/81/73/66/949817366.db2.gz RFOQPHMGNABHEY-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2cccn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575883516 949817388 /nfs/dbraw/zinc/81/73/88/949817388.db2.gz RFOQPHMGNABHEY-DGCLKSJQSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H](CC(=O)N1CCC(N(C)c2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574482056 949817888 /nfs/dbraw/zinc/81/78/88/949817888.db2.gz ZVYQFQMFZJMIMF-LLVKDONJSA-N -1 3 387.448 0.136 20 0 GCADHM C[C@H](CC(=O)N1CCC(N(C)c2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574482056 949817900 /nfs/dbraw/zinc/81/79/00/949817900.db2.gz ZVYQFQMFZJMIMF-LLVKDONJSA-N -1 3 387.448 0.136 20 0 GCADHM CC1(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001575562245 949819835 /nfs/dbraw/zinc/81/98/35/949819835.db2.gz FEKNAXRTAMLUNF-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001575562245 949819858 /nfs/dbraw/zinc/81/98/58/949819858.db2.gz FEKNAXRTAMLUNF-GFCCVEGCSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(CC(=O)N[C@@H](C)C2CC2)C1 ZINC001575281699 949820105 /nfs/dbraw/zinc/82/01/05/949820105.db2.gz AHXRBILYVBWHAS-WDEREUQCSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(CC(=O)N[C@@H](C)C2CC2)C1 ZINC001575281699 949820121 /nfs/dbraw/zinc/82/01/21/949820121.db2.gz AHXRBILYVBWHAS-WDEREUQCSA-N -1 3 386.460 0.160 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574139925 949821751 /nfs/dbraw/zinc/82/17/51/949821751.db2.gz LLRZLAPBBULUNP-NWDGAFQWSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)C[C@H](C)CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574139925 949821779 /nfs/dbraw/zinc/82/17/79/949821779.db2.gz LLRZLAPBBULUNP-NWDGAFQWSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576172881 949822008 /nfs/dbraw/zinc/82/20/08/949822008.db2.gz YYFNFDKFMNKRFT-SMDDNHRTSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1CNC(=O)CC(C)(C)O ZINC001576172881 949822029 /nfs/dbraw/zinc/82/20/29/949822029.db2.gz YYFNFDKFMNKRFT-SMDDNHRTSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575562262 949822720 /nfs/dbraw/zinc/82/27/20/949822720.db2.gz FGPISUZMFQTPBB-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575562262 949822742 /nfs/dbraw/zinc/82/27/42/949822742.db2.gz FGPISUZMFQTPBB-UGSOOPFHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1C(=O)C1=CCOCC1 ZINC001575883627 949823360 /nfs/dbraw/zinc/82/33/60/949823360.db2.gz RVFRDQALLAAENY-FZMZJTMJSA-N -1 3 385.428 0.651 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1C(=O)C1=CCOCC1 ZINC001575883627 949823380 /nfs/dbraw/zinc/82/33/80/949823380.db2.gz RVFRDQALLAAENY-FZMZJTMJSA-N -1 3 385.428 0.651 20 0 GCADHM CC1(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOCC1 ZINC001575562247 949823773 /nfs/dbraw/zinc/82/37/73/949823773.db2.gz FEKNAXRTAMLUNF-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOCC1 ZINC001575562247 949823793 /nfs/dbraw/zinc/82/37/93/949823793.db2.gz FEKNAXRTAMLUNF-LBPRGKRZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCOC1 ZINC001575562395 949824090 /nfs/dbraw/zinc/82/40/90/949824090.db2.gz GLDBONIIEPQARU-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCOC1 ZINC001575562395 949824110 /nfs/dbraw/zinc/82/41/10/949824110.db2.gz GLDBONIIEPQARU-FZKQIMNGSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001574483571 949825748 /nfs/dbraw/zinc/82/57/48/949825748.db2.gz DILRVMYYYMQDBE-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001574483571 949825770 /nfs/dbraw/zinc/82/57/70/949825770.db2.gz DILRVMYYYMQDBE-BXUZGUMPSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575281972 949828120 /nfs/dbraw/zinc/82/81/20/949828120.db2.gz IRBFRGZEMKUPKZ-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](NC(=O)COC1CCCC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575281972 949828139 /nfs/dbraw/zinc/82/81/39/949828139.db2.gz IRBFRGZEMKUPKZ-LLVKDONJSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001574483554 949828025 /nfs/dbraw/zinc/82/80/25/949828025.db2.gz CRPPIKGAEUBYOM-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001574483554 949828047 /nfs/dbraw/zinc/82/80/47/949828047.db2.gz CRPPIKGAEUBYOM-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1cn(C)cn1 ZINC001575883895 949829398 /nfs/dbraw/zinc/82/93/98/949829398.db2.gz HJLCODFICHUPCC-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1cn(C)cn1 ZINC001575883895 949829416 /nfs/dbraw/zinc/82/94/16/949829416.db2.gz HJLCODFICHUPCC-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575282358 949830537 /nfs/dbraw/zinc/83/05/37/949830537.db2.gz KLTFLCWPXZGLBF-SNVBAGLBSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H](NC(=O)COC(C)(C)C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575282358 949830550 /nfs/dbraw/zinc/83/05/50/949830550.db2.gz KLTFLCWPXZGLBF-SNVBAGLBSA-N -1 3 375.433 0.587 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)Cc1cccnc1 ZINC001575883815 949831614 /nfs/dbraw/zinc/83/16/14/949831614.db2.gz HGHJABGROYESLP-RISCZKNCSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)Cc1cccnc1 ZINC001575883815 949831634 /nfs/dbraw/zinc/83/16/34/949831634.db2.gz HGHJABGROYESLP-RISCZKNCSA-N -1 3 380.412 0.552 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574483718 949835560 /nfs/dbraw/zinc/83/55/60/949835560.db2.gz JJNVURMZWCRHTH-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574483718 949835590 /nfs/dbraw/zinc/83/55/90/949835590.db2.gz JJNVURMZWCRHTH-SMDDNHRTSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574483711 949836503 /nfs/dbraw/zinc/83/65/03/949836503.db2.gz JGRNIKTZSWGMHB-JTQLQIEISA-N -1 3 376.396 0.101 20 0 GCADHM C[C@@H](CC(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574483711 949836516 /nfs/dbraw/zinc/83/65/16/949836516.db2.gz JGRNIKTZSWGMHB-JTQLQIEISA-N -1 3 376.396 0.101 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575883945 949838688 /nfs/dbraw/zinc/83/86/88/949838688.db2.gz TWGJCKBNTWOHRW-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575883945 949838709 /nfs/dbraw/zinc/83/87/09/949838709.db2.gz TWGJCKBNTWOHRW-SWLSCSKDSA-N -1 3 381.444 0.711 20 0 GCADHM C[C@H](NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575282505 949838658 /nfs/dbraw/zinc/83/86/58/949838658.db2.gz CLRGHEDLVOGYIF-JRPNMDOOSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@H](NC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575282505 949838683 /nfs/dbraw/zinc/83/86/83/949838683.db2.gz CLRGHEDLVOGYIF-JRPNMDOOSA-N -1 3 386.460 0.160 20 0 GCADHM C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574722711 949838910 /nfs/dbraw/zinc/83/89/10/949838910.db2.gz VUASCHBNZSFTRT-JTQLQIEISA-N -1 3 384.437 0.699 20 0 GCADHM C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574722711 949838928 /nfs/dbraw/zinc/83/89/28/949838928.db2.gz VUASCHBNZSFTRT-JTQLQIEISA-N -1 3 384.437 0.699 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCNC1=O ZINC001575563615 949841057 /nfs/dbraw/zinc/84/10/57/949841057.db2.gz LHQWBLJEYPDLPQ-ACJLOTCBSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCNC1=O ZINC001575563615 949841076 /nfs/dbraw/zinc/84/10/76/949841076.db2.gz LHQWBLJEYPDLPQ-ACJLOTCBSA-N -1 3 384.444 0.263 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001574140672 949842332 /nfs/dbraw/zinc/84/23/32/949842332.db2.gz PCPFRWQZGKICKY-DFBGVHRSSA-N -1 3 389.460 0.569 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001574140672 949842367 /nfs/dbraw/zinc/84/23/67/949842367.db2.gz PCPFRWQZGKICKY-DFBGVHRSSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575884537 949845001 /nfs/dbraw/zinc/84/50/01/949845001.db2.gz URRQGBMBRHELTN-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2ccon2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575884537 949845017 /nfs/dbraw/zinc/84/50/17/949845017.db2.gz URRQGBMBRHELTN-ZWNOBZJWSA-N -1 3 384.400 0.535 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574141274 949846455 /nfs/dbraw/zinc/84/64/55/949846455.db2.gz SHQROLPUALSIIZ-OCCSQVGLSA-N -1 3 391.476 0.816 20 0 GCADHM CC(C)C[C@@H](C)CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574141274 949846469 /nfs/dbraw/zinc/84/64/69/949846469.db2.gz SHQROLPUALSIIZ-OCCSQVGLSA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574966332 949846780 /nfs/dbraw/zinc/84/67/80/949846780.db2.gz XLHQYXFBBLCLER-SFGNSQDASA-N -1 3 378.824 0.201 20 0 GCADHM C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574966332 949846797 /nfs/dbraw/zinc/84/67/97/949846797.db2.gz XLHQYXFBBLCLER-SFGNSQDASA-N -1 3 378.824 0.201 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001576173813 949850710 /nfs/dbraw/zinc/85/07/10/949850710.db2.gz ZDQNCNITNXPGRC-YPMHNXCESA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H]1CCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001576173813 949850735 /nfs/dbraw/zinc/85/07/35/949850735.db2.gz ZDQNCNITNXPGRC-YPMHNXCESA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575283004 949852648 /nfs/dbraw/zinc/85/26/48/949852648.db2.gz DRGRSZWZRFHZKL-ZMZPIMSZSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](NC(=O)CN1CC[C@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575283004 949852673 /nfs/dbraw/zinc/85/26/73/949852673.db2.gz DRGRSZWZRFHZKL-ZMZPIMSZSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)C1(C)CCOCC1 ZINC001574966732 949853254 /nfs/dbraw/zinc/85/32/54/949853254.db2.gz BNFGWDAORGUDTL-NSHDSACASA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)C1(C)CCOCC1 ZINC001574966732 949853276 /nfs/dbraw/zinc/85/32/76/949853276.db2.gz BNFGWDAORGUDTL-NSHDSACASA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001575884759 949855304 /nfs/dbraw/zinc/85/53/04/949855304.db2.gz VVASWEINPZERRF-ZYHUDNBSSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001575884759 949855326 /nfs/dbraw/zinc/85/53/26/949855326.db2.gz VVASWEINPZERRF-ZYHUDNBSSA-N -1 3 386.395 0.166 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574723667 949856304 /nfs/dbraw/zinc/85/63/04/949856304.db2.gz AYWIIPHHVZVTEV-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)CCc1cncs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574723667 949856325 /nfs/dbraw/zinc/85/63/25/949856325.db2.gz AYWIIPHHVZVTEV-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001574966772 949856914 /nfs/dbraw/zinc/85/69/14/949856914.db2.gz CBCDQNSSMKFQET-SNVBAGLBSA-N -1 3 382.428 0.808 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001574966772 949856932 /nfs/dbraw/zinc/85/69/32/949856932.db2.gz CBCDQNSSMKFQET-SNVBAGLBSA-N -1 3 382.428 0.808 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCCNc1ncccc1-c1nnn[n-]1 ZINC001573824986 949857709 /nfs/dbraw/zinc/85/77/09/949857709.db2.gz JZJLEXROKWBKAM-NSHDSACASA-N -1 3 375.437 0.263 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCCNc1ncccc1-c1nn[n-]n1 ZINC001573824986 949857734 /nfs/dbraw/zinc/85/77/34/949857734.db2.gz JZJLEXROKWBKAM-NSHDSACASA-N -1 3 375.437 0.263 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cccn1 ZINC001574484081 949860891 /nfs/dbraw/zinc/86/08/91/949860891.db2.gz SZIZAANPOXAPBS-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cccn1 ZINC001574484081 949860904 /nfs/dbraw/zinc/86/09/04/949860904.db2.gz SZIZAANPOXAPBS-GFCCVEGCSA-N -1 3 383.416 0.327 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575885059 949861193 /nfs/dbraw/zinc/86/11/93/949861193.db2.gz KHAOXPAKMCOEBY-CMPLNLGQSA-N -1 3 375.433 0.729 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)COC(C)(C)C ZINC001575885059 949861217 /nfs/dbraw/zinc/86/12/17/949861217.db2.gz KHAOXPAKMCOEBY-CMPLNLGQSA-N -1 3 375.433 0.729 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575283158 949861271 /nfs/dbraw/zinc/86/12/71/949861271.db2.gz NZEAPFPLTABAHJ-QWRGUYRKSA-N -1 3 381.462 0.390 20 0 GCADHM CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575283158 949861290 /nfs/dbraw/zinc/86/12/90/949861290.db2.gz NZEAPFPLTABAHJ-QWRGUYRKSA-N -1 3 381.462 0.390 20 0 GCADHM C[C@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575885355 949863417 /nfs/dbraw/zinc/86/34/17/949863417.db2.gz WLINUXSPBBRDCL-QKZHPOIUSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H]1[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575885355 949863435 /nfs/dbraw/zinc/86/34/35/949863435.db2.gz WLINUXSPBBRDCL-QKZHPOIUSA-N -1 3 385.428 0.197 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574484200 949867114 /nfs/dbraw/zinc/86/71/14/949867114.db2.gz FHRYQTODAABAOV-MWLCHTKSSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@H](CC(=O)N1CCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574484200 949867141 /nfs/dbraw/zinc/86/71/41/949867141.db2.gz FHRYQTODAABAOV-MWLCHTKSSA-N -1 3 391.411 0.251 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575885660 949868486 /nfs/dbraw/zinc/86/84/86/949868486.db2.gz KWBBOUJOGZEPJZ-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575885660 949868502 /nfs/dbraw/zinc/86/85/02/949868502.db2.gz KWBBOUJOGZEPJZ-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H](CC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)nn2)CC1)n1ccnc1 ZINC001574484211 949870013 /nfs/dbraw/zinc/87/00/13/949870013.db2.gz FNKCAFITPRRWIV-CYBMUJFWSA-N -1 3 382.432 0.543 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1cncn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574724334 949870695 /nfs/dbraw/zinc/87/06/95/949870695.db2.gz HDGBDMSTROZVJH-JTQLQIEISA-N -1 3 390.839 0.856 20 0 GCADHM C[C@@H](CN(C)C(=O)CCn1cncn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574724334 949870714 /nfs/dbraw/zinc/87/07/14/949870714.db2.gz HDGBDMSTROZVJH-JTQLQIEISA-N -1 3 390.839 0.856 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1csc(=O)[nH]1 ZINC001574967317 949870945 /nfs/dbraw/zinc/87/09/45/949870945.db2.gz HEZPWIBMXGPHAZ-SSDOTTSWSA-N -1 3 376.402 0.153 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575885654 949871715 /nfs/dbraw/zinc/87/17/15/949871715.db2.gz KWBBOUJOGZEPJZ-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cc[nH]c(=O)c1 ZINC001575885654 949871743 /nfs/dbraw/zinc/87/17/43/949871743.db2.gz KWBBOUJOGZEPJZ-BXKDBHETSA-N -1 3 382.384 0.328 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573825292 949873372 /nfs/dbraw/zinc/87/33/72/949873372.db2.gz QLGVYDUEZZRLGS-AWEZNQCLSA-N -1 3 386.460 0.250 20 0 GCADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573825292 949873390 /nfs/dbraw/zinc/87/33/90/949873390.db2.gz QLGVYDUEZZRLGS-AWEZNQCLSA-N -1 3 386.460 0.250 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CC1CCOCC1 ZINC001575886260 949874771 /nfs/dbraw/zinc/87/47/71/949874771.db2.gz XQYQACMGADSMEX-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CC1CCOCC1 ZINC001575886260 949874797 /nfs/dbraw/zinc/87/47/97/949874797.db2.gz XQYQACMGADSMEX-SMDDNHRTSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)C[C@H](C)N(C)C(=O)CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574142702 949875885 /nfs/dbraw/zinc/87/58/85/949875885.db2.gz AXOGPEWKMNLQQC-LBPRGKRZSA-N -1 3 388.476 0.502 20 0 GCADHM CC(C)C[C@H](C)N(C)C(=O)CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574142702 949875907 /nfs/dbraw/zinc/87/59/07/949875907.db2.gz AXOGPEWKMNLQQC-LBPRGKRZSA-N -1 3 388.476 0.502 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575885819 949877034 /nfs/dbraw/zinc/87/70/34/949877034.db2.gz LKNDRBVEXIAGAY-ZYHUDNBSSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)cn2)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575885819 949877061 /nfs/dbraw/zinc/87/70/61/949877061.db2.gz LKNDRBVEXIAGAY-ZYHUDNBSSA-N -1 3 381.400 0.132 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)COC1CCCC1 ZINC001575283608 949877126 /nfs/dbraw/zinc/87/71/26/949877126.db2.gz QHPAGWCZZIKMHI-WDEREUQCSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)COC1CCCC1 ZINC001575283608 949877140 /nfs/dbraw/zinc/87/71/40/949877140.db2.gz QHPAGWCZZIKMHI-WDEREUQCSA-N -1 3 375.433 0.777 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cnn(C)c1Cl ZINC001574967774 949878188 /nfs/dbraw/zinc/87/81/88/949878188.db2.gz JVLGMLBTAWIXIE-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cnn(C)c1Cl ZINC001574967774 949878213 /nfs/dbraw/zinc/87/82/13/949878213.db2.gz JVLGMLBTAWIXIE-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cnn(C)c1Cl ZINC001574967772 949878638 /nfs/dbraw/zinc/87/86/38/949878638.db2.gz JVLGMLBTAWIXIE-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cnn(C)c1Cl ZINC001574967772 949878662 /nfs/dbraw/zinc/87/86/62/949878662.db2.gz JVLGMLBTAWIXIE-MRVPVSSYSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574724700 949879381 /nfs/dbraw/zinc/87/93/81/949879381.db2.gz JMGLHRVSPXKISS-CYBMUJFWSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574724700 949879403 /nfs/dbraw/zinc/87/94/03/949879403.db2.gz JMGLHRVSPXKISS-CYBMUJFWSA-N -1 3 382.428 0.773 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575886322 949879721 /nfs/dbraw/zinc/87/97/21/949879721.db2.gz XVJRDQWDJXNPHA-YPMHNXCESA-N -1 3 382.432 0.106 20 0 GCADHM CC(C)C[C@@H](C)N(C)C(=O)CN1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574142768 949879859 /nfs/dbraw/zinc/87/98/59/949879859.db2.gz BQULURBTKOSIDP-GFCCVEGCSA-N -1 3 388.476 0.502 20 0 GCADHM CC(C)C[C@@H](C)N(C)C(=O)CN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574142768 949879882 /nfs/dbraw/zinc/87/98/82/949879882.db2.gz BQULURBTKOSIDP-GFCCVEGCSA-N -1 3 388.476 0.502 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1nccs1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574724716 949879948 /nfs/dbraw/zinc/87/99/48/949879948.db2.gz JYDUVTXSQLBZSG-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1nccs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574724716 949879972 /nfs/dbraw/zinc/87/99/72/949879972.db2.gz JYDUVTXSQLBZSG-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc2n(n1)CCC2 ZINC001574968007 949881631 /nfs/dbraw/zinc/88/16/31/949881631.db2.gz KZKVQBVNVWNJGU-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc2n(n1)CCC2 ZINC001574968007 949881657 /nfs/dbraw/zinc/88/16/57/949881657.db2.gz KZKVQBVNVWNJGU-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574967965 949882089 /nfs/dbraw/zinc/88/20/89/949882089.db2.gz KPYPFHYALVFKSB-NSHDSACASA-N -1 3 381.444 0.962 20 0 GCADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574967965 949882117 /nfs/dbraw/zinc/88/21/17/949882117.db2.gz KPYPFHYALVFKSB-NSHDSACASA-N -1 3 381.444 0.962 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573825539 949882547 /nfs/dbraw/zinc/88/25/47/949882547.db2.gz ZTTNGXXJKOVFIX-ZIAGYGMSSA-N -1 3 387.444 0.850 20 0 GCADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573825539 949882570 /nfs/dbraw/zinc/88/25/70/949882570.db2.gz ZTTNGXXJKOVFIX-ZIAGYGMSSA-N -1 3 387.444 0.850 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574484549 949885263 /nfs/dbraw/zinc/88/52/63/949885263.db2.gz JUWVIPZHAVXBJV-WCQYABFASA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574484549 949885281 /nfs/dbraw/zinc/88/52/81/949885281.db2.gz JUWVIPZHAVXBJV-WCQYABFASA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574484548 949885692 /nfs/dbraw/zinc/88/56/92/949885692.db2.gz JUWVIPZHAVXBJV-DGCLKSJQSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CC(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574484548 949885711 /nfs/dbraw/zinc/88/57/11/949885711.db2.gz JUWVIPZHAVXBJV-DGCLKSJQSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001574968035 949887540 /nfs/dbraw/zinc/88/75/40/949887540.db2.gz LEYNRAOMPXTMOT-ZUZCIYMTSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001574968035 949887560 /nfs/dbraw/zinc/88/75/60/949887560.db2.gz LEYNRAOMPXTMOT-ZUZCIYMTSA-N -1 3 379.371 0.865 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574725030 949888293 /nfs/dbraw/zinc/88/82/93/949888293.db2.gz NRNOHLGZOWWBNP-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1nccn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574725030 949888312 /nfs/dbraw/zinc/88/83/12/949888312.db2.gz NRNOHLGZOWWBNP-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574484547 949888829 /nfs/dbraw/zinc/88/88/29/949888829.db2.gz JUWVIPZHAVXBJV-AAEUAGOBSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@@H](CC(=O)N1CCCC[C@H]1CNc1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574484547 949888842 /nfs/dbraw/zinc/88/88/42/949888842.db2.gz JUWVIPZHAVXBJV-AAEUAGOBSA-N -1 3 387.448 0.502 20 0 GCADHM C[C@H](CNC(=O)c1c(F)cncc1F)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574968352 949893054 /nfs/dbraw/zinc/89/30/54/949893054.db2.gz OFTRHLSQIOLIGL-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@H](CNC(=O)c1c(F)cncc1F)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574968352 949893073 /nfs/dbraw/zinc/89/30/73/949893073.db2.gz OFTRHLSQIOLIGL-MRVPVSSYSA-N -1 3 390.354 0.759 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574725275 949893754 /nfs/dbraw/zinc/89/37/54/949893754.db2.gz QXNKCGJJLCARKK-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cnccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574725275 949893778 /nfs/dbraw/zinc/89/37/78/949893778.db2.gz QXNKCGJJLCARKK-NSHDSACASA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575886994 949894051 /nfs/dbraw/zinc/89/40/51/949894051.db2.gz NPHWZEDVCGJPMF-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575886994 949894078 /nfs/dbraw/zinc/89/40/78/949894078.db2.gz NPHWZEDVCGJPMF-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575284179 949897166 /nfs/dbraw/zinc/89/71/66/949897166.db2.gz HZCYGSZZTJEFFU-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575887203 949899628 /nfs/dbraw/zinc/89/96/28/949899628.db2.gz YLUKJWXFKVINHE-MWLCHTKSSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575887203 949899656 /nfs/dbraw/zinc/89/96/56/949899656.db2.gz YLUKJWXFKVINHE-MWLCHTKSSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575284233 949900187 /nfs/dbraw/zinc/90/01/87/949900187.db2.gz IQQKGVUCPRYFFE-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](NC(=O)CN1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575284233 949900209 /nfs/dbraw/zinc/90/02/09/949900209.db2.gz IQQKGVUCPRYFFE-SMDDNHRTSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001574968531 949900463 /nfs/dbraw/zinc/90/04/63/949900463.db2.gz POOMNUJWXSXEPP-FZKQIMNGSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)C[C@H]1CCCO1)C1CC1 ZINC001574968531 949900476 /nfs/dbraw/zinc/90/04/76/949900476.db2.gz POOMNUJWXSXEPP-FZKQIMNGSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576178920 949900942 /nfs/dbraw/zinc/90/09/42/949900942.db2.gz DDWKKFUTEIVEQJ-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cocn2)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576178920 949900952 /nfs/dbraw/zinc/90/09/52/949900952.db2.gz DDWKKFUTEIVEQJ-IINYFYTJSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001574968615 949902480 /nfs/dbraw/zinc/90/24/80/949902480.db2.gz QWXFKRYWTGSQEI-VIFPVBQESA-N -1 3 383.416 0.591 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001574968615 949902499 /nfs/dbraw/zinc/90/24/99/949902499.db2.gz QWXFKRYWTGSQEI-VIFPVBQESA-N -1 3 383.416 0.591 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001574968670 949907385 /nfs/dbraw/zinc/90/73/85/949907385.db2.gz RLAHUBGDUQZVQH-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cc1cnoc1)C1CC1 ZINC001574968670 949907402 /nfs/dbraw/zinc/90/74/02/949907402.db2.gz RLAHUBGDUQZVQH-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574725734 949907578 /nfs/dbraw/zinc/90/75/78/949907578.db2.gz CFYZYMUAMMWITI-CMPLNLGQSA-N -1 3 379.396 0.465 20 0 GCADHM C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574725734 949907596 /nfs/dbraw/zinc/90/75/96/949907596.db2.gz CFYZYMUAMMWITI-CMPLNLGQSA-N -1 3 379.396 0.465 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575887713 949908352 /nfs/dbraw/zinc/90/83/52/949908352.db2.gz OPAYNHOXNPJJSB-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575887713 949908377 /nfs/dbraw/zinc/90/83/77/949908377.db2.gz OPAYNHOXNPJJSB-JOYOIKCWSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@@H](CN(C)C(=O)COCC1CCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574725701 949908866 /nfs/dbraw/zinc/90/88/66/949908866.db2.gz BCZKBNRFVUOWHW-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)COCC1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574725701 949908885 /nfs/dbraw/zinc/90/88/85/949908885.db2.gz BCZKBNRFVUOWHW-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575569089 949908893 /nfs/dbraw/zinc/90/88/93/949908893.db2.gz FYEDXGRMQDWBQW-ACJLOTCBSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1NC(=O)[C@@]1(C)CCOC1 ZINC001575569089 949908916 /nfs/dbraw/zinc/90/89/16/949908916.db2.gz FYEDXGRMQDWBQW-ACJLOTCBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001575284612 949910909 /nfs/dbraw/zinc/91/09/09/949910909.db2.gz KAVHHTVYRBZBMG-WCQYABFASA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001574968849 949911639 /nfs/dbraw/zinc/91/16/39/949911639.db2.gz UJLURQCAVRGABK-IRXDYDNUSA-N -1 3 391.407 0.338 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@]1(F)CCOC1)C1CC1 ZINC001574968849 949911658 /nfs/dbraw/zinc/91/16/58/949911658.db2.gz UJLURQCAVRGABK-IRXDYDNUSA-N -1 3 391.407 0.338 20 0 GCADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001575284625 949912715 /nfs/dbraw/zinc/91/27/15/949912715.db2.gz KBPVXQJBEQOOFW-VHSXEESVSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001575284625 949912735 /nfs/dbraw/zinc/91/27/35/949912735.db2.gz KBPVXQJBEQOOFW-VHSXEESVSA-N -1 3 392.439 0.868 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574968823 949914188 /nfs/dbraw/zinc/91/41/88/949914188.db2.gz SYMPIWQFYQVGFN-KVMADOOQSA-N -1 3 385.428 0.100 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574968823 949914221 /nfs/dbraw/zinc/91/42/21/949914221.db2.gz SYMPIWQFYQVGFN-KVMADOOQSA-N -1 3 385.428 0.100 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(C2CC2)on1 ZINC001574968833 949914686 /nfs/dbraw/zinc/91/46/86/949914686.db2.gz UCEFOGKMDDFISA-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(C2CC2)on1 ZINC001574968833 949914710 /nfs/dbraw/zinc/91/47/10/949914710.db2.gz UCEFOGKMDDFISA-SECBINFHSA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](NC(=O)COCC(F)F)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284699 949915756 /nfs/dbraw/zinc/91/57/56/949915756.db2.gz VPRJZVCABGTODT-QMMMGPOBSA-N -1 3 383.359 0.053 20 0 GCADHM C[C@H](NC(=O)COCC(F)F)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284699 949915778 /nfs/dbraw/zinc/91/57/78/949915778.db2.gz VPRJZVCABGTODT-QMMMGPOBSA-N -1 3 383.359 0.053 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C1=COCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574144615 949916757 /nfs/dbraw/zinc/91/67/57/949916757.db2.gz QGCXFBYVKFNHSH-NSHDSACASA-N -1 3 389.416 0.344 20 0 GCADHM CC(C)C[C@@H](CNC(=O)C1=COCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574144615 949916778 /nfs/dbraw/zinc/91/67/78/949916778.db2.gz QGCXFBYVKFNHSH-NSHDSACASA-N -1 3 389.416 0.344 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575284718 949917728 /nfs/dbraw/zinc/91/77/28/949917728.db2.gz WBACLOJNKLGMKW-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](NC(=O)COc1cccnc1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575284718 949917742 /nfs/dbraw/zinc/91/77/42/949917742.db2.gz WBACLOJNKLGMKW-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)CCC1 ZINC001575569371 949918757 /nfs/dbraw/zinc/91/87/57/949918757.db2.gz JSIDNWHQTOLMJH-OLZOCXBDSA-N -1 3 375.408 0.647 20 0 GCADHM CC1(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)CCC1 ZINC001575569371 949918785 /nfs/dbraw/zinc/91/87/85/949918785.db2.gz JSIDNWHQTOLMJH-OLZOCXBDSA-N -1 3 375.408 0.647 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1ccnn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574726057 949923142 /nfs/dbraw/zinc/92/31/42/949923142.db2.gz XIJFJZIGFIUWOM-SNVBAGLBSA-N -1 3 390.839 0.856 20 0 GCADHM C[C@H](CN(C)C(=O)CCn1ccnn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574726057 949923165 /nfs/dbraw/zinc/92/31/65/949923165.db2.gz XIJFJZIGFIUWOM-SNVBAGLBSA-N -1 3 390.839 0.856 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574726155 949924507 /nfs/dbraw/zinc/92/45/07/949924507.db2.gz FXBLKGZGFVMFKC-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574726155 949924525 /nfs/dbraw/zinc/92/45/25/949924525.db2.gz FXBLKGZGFVMFKC-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)COCC1CC1)C1CC1 ZINC001574968992 949926071 /nfs/dbraw/zinc/92/60/71/949926071.db2.gz XLMNHRZXXJEKOI-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)COCC1CC1)C1CC1 ZINC001574968992 949926089 /nfs/dbraw/zinc/92/60/89/949926089.db2.gz XLMNHRZXXJEKOI-SFHVURJKSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCCOC1 ZINC001575569616 949926507 /nfs/dbraw/zinc/92/65/07/949926507.db2.gz LGBUFLJSVJVMOP-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCCOC1 ZINC001575569616 949926527 /nfs/dbraw/zinc/92/65/27/949926527.db2.gz LGBUFLJSVJVMOP-GOSISDBHSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cnn2c1CCC2 ZINC001574969055 949927521 /nfs/dbraw/zinc/92/75/21/949927521.db2.gz YRFYMCHPINFTEI-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cnn2c1CCC2 ZINC001574969055 949927549 /nfs/dbraw/zinc/92/75/49/949927549.db2.gz YRFYMCHPINFTEI-JTQLQIEISA-N -1 3 383.416 0.133 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575889049 949927984 /nfs/dbraw/zinc/92/79/84/949927984.db2.gz RFQSQRMMQODVAD-OCCSQVGLSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575889049 949928001 /nfs/dbraw/zinc/92/80/01/949928001.db2.gz RFQSQRMMQODVAD-OCCSQVGLSA-N -1 3 382.428 0.806 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575285039 949930966 /nfs/dbraw/zinc/93/09/66/949930966.db2.gz LPNHMWBRTNATFK-VXGBXAGGSA-N -1 3 377.424 0.643 20 0 GCADHM C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575285039 949930975 /nfs/dbraw/zinc/93/09/75/949930975.db2.gz LPNHMWBRTNATFK-VXGBXAGGSA-N -1 3 377.424 0.643 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575285052 949931730 /nfs/dbraw/zinc/93/17/30/949931730.db2.gz LSMSIJYSDHMGMZ-BXUZGUMPSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575285052 949931750 /nfs/dbraw/zinc/93/17/50/949931750.db2.gz LSMSIJYSDHMGMZ-BXUZGUMPSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCNC(=O)C1 ZINC001575570120 949932143 /nfs/dbraw/zinc/93/21/43/949932143.db2.gz PRUAMSIUSSVETE-APPDUMDISA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCNC(=O)C1 ZINC001575570120 949932167 /nfs/dbraw/zinc/93/21/67/949932167.db2.gz PRUAMSIUSSVETE-APPDUMDISA-N -1 3 388.407 0.012 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576180057 949933732 /nfs/dbraw/zinc/93/37/32/949933732.db2.gz GZNULEUPBLPLBF-AAEUAGOBSA-N -1 3 382.432 0.545 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576180057 949933754 /nfs/dbraw/zinc/93/37/54/949933754.db2.gz GZNULEUPBLPLBF-AAEUAGOBSA-N -1 3 382.432 0.545 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180057 949933772 /nfs/dbraw/zinc/93/37/72/949933772.db2.gz GZNULEUPBLPLBF-AAEUAGOBSA-N -1 3 382.432 0.545 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCNC(=O)C1 ZINC001575570128 949934112 /nfs/dbraw/zinc/93/41/12/949934112.db2.gz PRUAMSIUSSVETE-PIGZYNQJSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCNC(=O)C1 ZINC001575570128 949934128 /nfs/dbraw/zinc/93/41/28/949934128.db2.gz PRUAMSIUSSVETE-PIGZYNQJSA-N -1 3 388.407 0.012 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc[nH]n2)[C@@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576180058 949934419 /nfs/dbraw/zinc/93/44/19/949934419.db2.gz GZNULEUPBLPLBF-DGCLKSJQSA-N -1 3 382.432 0.545 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001576180058 949934440 /nfs/dbraw/zinc/93/44/40/949934440.db2.gz GZNULEUPBLPLBF-DGCLKSJQSA-N -1 3 382.432 0.545 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cc[nH]n2)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180058 949934462 /nfs/dbraw/zinc/93/44/62/949934462.db2.gz GZNULEUPBLPLBF-DGCLKSJQSA-N -1 3 382.432 0.545 20 0 GCADHM C[C@@H](NC(=O)CCn1cccn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575285199 949934785 /nfs/dbraw/zinc/93/47/85/949934785.db2.gz LTSYMYXVXNLJPV-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM C[C@@H](NC(=O)CCn1cccn1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575285199 949934814 /nfs/dbraw/zinc/93/48/14/949934814.db2.gz LTSYMYXVXNLJPV-LLVKDONJSA-N -1 3 383.416 0.058 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C1CC1 ZINC001575285195 949935450 /nfs/dbraw/zinc/93/54/50/949935450.db2.gz LSMSIJYSDHMGMZ-SMDDNHRTSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@H](NC(=O)CN(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C1CC1 ZINC001575285195 949935471 /nfs/dbraw/zinc/93/54/71/949935471.db2.gz LSMSIJYSDHMGMZ-SMDDNHRTSA-N -1 3 386.460 0.256 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574726314 949936575 /nfs/dbraw/zinc/93/65/75/949936575.db2.gz YWVHKHZACLYRQT-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)CCc1cncn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574726314 949936589 /nfs/dbraw/zinc/93/65/89/949936589.db2.gz YWVHKHZACLYRQT-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574972562 949937754 /nfs/dbraw/zinc/93/77/54/949937754.db2.gz DAVUVHVGUPZUMT-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM C[C@H](c1nnnn1C1CC1)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574972562 949937775 /nfs/dbraw/zinc/93/77/75/949937775.db2.gz DAVUVHVGUPZUMT-VHSXEESVSA-N -1 3 385.436 0.328 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574146517 949943941 /nfs/dbraw/zinc/94/39/41/949943941.db2.gz ZBJJLYOXMICVCN-JSGCOSHPSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@@H]1CCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574146517 949943970 /nfs/dbraw/zinc/94/39/70/949943970.db2.gz ZBJJLYOXMICVCN-JSGCOSHPSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001574972935 949945788 /nfs/dbraw/zinc/94/57/88/949945788.db2.gz DYNLVEJUQADXMO-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CC12CCOCC2 ZINC001574972935 949945808 /nfs/dbraw/zinc/94/58/08/949945808.db2.gz DYNLVEJUQADXMO-WCQYABFASA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575285484 949950299 /nfs/dbraw/zinc/95/02/99/949950299.db2.gz NSXWSWQPYMQHHO-OLZOCXBDSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575285484 949950314 /nfs/dbraw/zinc/95/03/14/949950314.db2.gz NSXWSWQPYMQHHO-OLZOCXBDSA-N -1 3 386.460 0.969 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)COc1ccccc1 ZINC001574973042 949951474 /nfs/dbraw/zinc/95/14/74/949951474.db2.gz GACQSMCCBFXIDI-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)COc1ccccc1 ZINC001574973042 949951489 /nfs/dbraw/zinc/95/14/89/949951489.db2.gz GACQSMCCBFXIDI-GFCCVEGCSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)CCNC(=O)C1 ZINC001575571245 949952124 /nfs/dbraw/zinc/95/21/24/949952124.db2.gz ZFTITNBXSXPLFE-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)CCNC(=O)C1 ZINC001575571245 949952136 /nfs/dbraw/zinc/95/21/36/949952136.db2.gz ZFTITNBXSXPLFE-GOSISDBHSA-N -1 3 387.419 0.223 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC(=O)C1 ZINC001575571382 949956918 /nfs/dbraw/zinc/95/69/18/949956918.db2.gz ZZXMVNFYCVIKBT-APPDUMDISA-N -1 3 389.485 0.535 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001575890575 949957864 /nfs/dbraw/zinc/95/78/64/949957864.db2.gz YJMKDZIGKJEOIW-JQWIXIFHSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)n2C)CCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001575890575 949957882 /nfs/dbraw/zinc/95/78/82/949957882.db2.gz YJMKDZIGKJEOIW-JQWIXIFHSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@H](NC(=O)CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C1CC1 ZINC001575285797 949958479 /nfs/dbraw/zinc/95/84/79/949958479.db2.gz QQVHNQAVTGZDRK-LBPRGKRZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@H](NC(=O)CN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C1CC1 ZINC001575285797 949958493 /nfs/dbraw/zinc/95/84/93/949958493.db2.gz QQVHNQAVTGZDRK-LBPRGKRZSA-N -1 3 386.460 0.257 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576180499 949958622 /nfs/dbraw/zinc/95/86/22/949958622.db2.gz DNJJHUWKMPARGM-TZMCWYRMSA-N -1 3 386.460 0.814 20 0 GCADHM C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576180499 949958634 /nfs/dbraw/zinc/95/86/34/949958634.db2.gz DNJJHUWKMPARGM-TZMCWYRMSA-N -1 3 386.460 0.814 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574147887 949960188 /nfs/dbraw/zinc/96/01/88/949960188.db2.gz FTTLFPUVBSMCSH-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1cc[nH]n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574147887 949960210 /nfs/dbraw/zinc/96/02/10/949960210.db2.gz FTTLFPUVBSMCSH-ZDUSSCGKSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573829641 949960688 /nfs/dbraw/zinc/96/06/88/949960688.db2.gz AEYQJVLVHMVQBI-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)N1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573829641 949960706 /nfs/dbraw/zinc/96/07/06/949960706.db2.gz AEYQJVLVHMVQBI-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)C[C@H](CNC(=O)C1CCOCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147908 949960915 /nfs/dbraw/zinc/96/09/15/949960915.db2.gz GFQARKPAPJEIGG-CYBMUJFWSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)C1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147908 949960939 /nfs/dbraw/zinc/96/09/39/949960939.db2.gz GFQARKPAPJEIGG-CYBMUJFWSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1ccon1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574147910 949963051 /nfs/dbraw/zinc/96/30/51/949963051.db2.gz GFTBZLWUTGWODR-GFCCVEGCSA-N -1 3 386.416 0.686 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cc1ccon1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574147910 949963071 /nfs/dbraw/zinc/96/30/71/949963071.db2.gz GFTBZLWUTGWODR-GFCCVEGCSA-N -1 3 386.416 0.686 20 0 GCADHM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727444 949966652 /nfs/dbraw/zinc/96/66/52/949966652.db2.gz SWMWEKQVJGEBTR-GXTWGEPZSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727444 949966664 /nfs/dbraw/zinc/96/66/64/949966664.db2.gz SWMWEKQVJGEBTR-GXTWGEPZSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574727491 949968910 /nfs/dbraw/zinc/96/89/10/949968910.db2.gz UHCFHPBBDKUYPK-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574727491 949968921 /nfs/dbraw/zinc/96/89/21/949968921.db2.gz UHCFHPBBDKUYPK-NSHDSACASA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575890839 949970440 /nfs/dbraw/zinc/97/04/40/949970440.db2.gz AHQLYALDJSVYBI-CMPLNLGQSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cc1cnoc1 ZINC001575890839 949970460 /nfs/dbraw/zinc/97/04/60/949970460.db2.gz AHQLYALDJSVYBI-CMPLNLGQSA-N -1 3 384.400 0.535 20 0 GCADHM CC(C)N(C(=O)CN(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001574974193 949970683 /nfs/dbraw/zinc/97/06/83/949970683.db2.gz LYJYYZBHBNSAAP-ZDUSSCGKSA-N -1 3 390.492 0.890 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001574974147 949971009 /nfs/dbraw/zinc/97/10/09/949971009.db2.gz LAJFOTPZQXBGOB-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001574974147 949971023 /nfs/dbraw/zinc/97/10/23/949971023.db2.gz LAJFOTPZQXBGOB-OMPKRAJASA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H](O)C(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574148050 949971926 /nfs/dbraw/zinc/97/19/26/949971926.db2.gz JMMFWQZOCCNWMH-BXUZGUMPSA-N -1 3 377.449 0.472 20 0 GCADHM CC(C)C[C@H](CNC(=O)[C@H](O)C(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574148050 949971938 /nfs/dbraw/zinc/97/19/38/949971938.db2.gz JMMFWQZOCCNWMH-BXUZGUMPSA-N -1 3 377.449 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1cccnc1 ZINC001574974251 949971806 /nfs/dbraw/zinc/97/18/06/949971806.db2.gz MOIRJPAQRGIBOL-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cccnc1 ZINC001574974251 949971821 /nfs/dbraw/zinc/97/18/21/949971821.db2.gz MOIRJPAQRGIBOL-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574148038 949972490 /nfs/dbraw/zinc/97/24/90/949972490.db2.gz JHCRDLRAOBAPFW-AAEUAGOBSA-N -1 3 375.433 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1CCOC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574148038 949972512 /nfs/dbraw/zinc/97/25/12/949972512.db2.gz JHCRDLRAOBAPFW-AAEUAGOBSA-N -1 3 375.433 0.492 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC001575572324 949973564 /nfs/dbraw/zinc/97/35/64/949973564.db2.gz FXSOINGBIMRNQX-NSHDSACASA-N -1 3 379.396 0.107 20 0 GCADHM CC1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC001575572324 949973580 /nfs/dbraw/zinc/97/35/80/949973580.db2.gz FXSOINGBIMRNQX-NSHDSACASA-N -1 3 379.396 0.107 20 0 GCADHM C[C@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574727609 949974567 /nfs/dbraw/zinc/97/45/67/949974567.db2.gz VXRHFJKOCBZNTC-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CN(C)C(=O)COc1ccsc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574727609 949974582 /nfs/dbraw/zinc/97/45/82/949974582.db2.gz VXRHFJKOCBZNTC-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C2CC2)CCNC(=O)C1 ZINC001575572333 949974750 /nfs/dbraw/zinc/97/47/50/949974750.db2.gz GACBNZFHFIMILY-KSSFIOAISA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C2CC2)CCNC(=O)C1 ZINC001575572333 949974772 /nfs/dbraw/zinc/97/47/72/949974772.db2.gz GACBNZFHFIMILY-KSSFIOAISA-N -1 3 384.444 0.485 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001574148135 949977902 /nfs/dbraw/zinc/97/79/02/949977902.db2.gz LENUREOQOVOGBH-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@]1(C)CCOC1 ZINC001574148135 949977917 /nfs/dbraw/zinc/97/79/17/949977917.db2.gz LENUREOQOVOGBH-FZKQIMNGSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cn1ccnc1 ZINC001575891003 949977972 /nfs/dbraw/zinc/97/79/72/949977972.db2.gz CPHCFRFGJAKREX-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cn1ccnc1 ZINC001575891003 949977997 /nfs/dbraw/zinc/97/79/97/949977997.db2.gz CPHCFRFGJAKREX-NEPJUHHUSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cn1ccnc1 ZINC001575891005 949978046 /nfs/dbraw/zinc/97/80/46/949978046.db2.gz CPHCFRFGJAKREX-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cn1ccnc1 ZINC001575891005 949978059 /nfs/dbraw/zinc/97/80/59/949978059.db2.gz CPHCFRFGJAKREX-RYUDHWBXSA-N -1 3 383.416 0.201 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(C)cn1 ZINC001574148096 949978419 /nfs/dbraw/zinc/97/84/19/949978419.db2.gz KHYWADQXBJAVKH-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(C)cn1 ZINC001574148096 949978426 /nfs/dbraw/zinc/97/84/26/949978426.db2.gz KHYWADQXBJAVKH-GFCCVEGCSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574727710 949978973 /nfs/dbraw/zinc/97/89/73/949978973.db2.gz YDQDHOPPJWCDCD-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CN(C)C(=O)COc1cccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574727710 949979001 /nfs/dbraw/zinc/97/90/01/949979001.db2.gz YDQDHOPPJWCDCD-LLVKDONJSA-N -1 3 384.400 0.246 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)c1ccco1 ZINC001574490027 949980292 /nfs/dbraw/zinc/98/02/92/949980292.db2.gz NEPIJWNEKNWBFW-HONMWMINSA-N -1 3 399.411 0.283 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)c1ccco1 ZINC001574490027 949980317 /nfs/dbraw/zinc/98/03/17/949980317.db2.gz NEPIJWNEKNWBFW-HONMWMINSA-N -1 3 399.411 0.283 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1cccn1 ZINC001574148413 949981236 /nfs/dbraw/zinc/98/12/36/949981236.db2.gz MPWDPTDPBAAEQC-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1cccn1 ZINC001574148413 949981263 /nfs/dbraw/zinc/98/12/63/949981263.db2.gz MPWDPTDPBAAEQC-ZDUSSCGKSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574727813 949983824 /nfs/dbraw/zinc/98/38/24/949983824.db2.gz ZZSUJUMQSFMHLL-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@@H](CN(C)C(=O)COc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574727813 949983843 /nfs/dbraw/zinc/98/38/43/949983843.db2.gz ZZSUJUMQSFMHLL-LBPRGKRZSA-N -1 3 383.412 0.851 20 0 GCADHM C[C@H](CN(C)C(=O)Cc1ccc(F)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574728458 949984568 /nfs/dbraw/zinc/98/45/68/949984568.db2.gz AOKSAJDYGCZIGO-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CN(C)C(=O)Cc1ccc(F)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574728458 949984595 /nfs/dbraw/zinc/98/45/95/949984595.db2.gz AOKSAJDYGCZIGO-SNVBAGLBSA-N -1 3 386.391 0.548 20 0 GCADHM C[C@H](CC(=O)N[C@](C)(CNc1ncccc1-c1nnn[n-]1)C1CC1)NC(N)=O ZINC001574490192 949985055 /nfs/dbraw/zinc/98/50/55/949985055.db2.gz OHYAQQLUBXLMSL-BMLIUANNSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H](CC(=O)N[C@](C)(CNc1ncccc1-c1nn[n-]n1)C1CC1)NC(N)=O ZINC001574490192 949985068 /nfs/dbraw/zinc/98/50/68/949985068.db2.gz OHYAQQLUBXLMSL-BMLIUANNSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H](NC(=O)CNC(=O)C1CC1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575286471 949985191 /nfs/dbraw/zinc/98/51/91/949985191.db2.gz WXNNUVRLZNOLQR-JTQLQIEISA-N -1 3 389.485 0.391 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C1CCOCC1 ZINC001574148476 949986020 /nfs/dbraw/zinc/98/60/20/949986020.db2.gz NZQUJRHWSUQLGS-CYBMUJFWSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C1CCOCC1 ZINC001574148476 949986037 /nfs/dbraw/zinc/98/60/37/949986037.db2.gz NZQUJRHWSUQLGS-CYBMUJFWSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1ccnc1 ZINC001574148706 949989246 /nfs/dbraw/zinc/98/92/46/949989246.db2.gz OVCCCUUPQNWQHA-GFCCVEGCSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1ccnc1 ZINC001574148706 949989268 /nfs/dbraw/zinc/98/92/68/949989268.db2.gz OVCCCUUPQNWQHA-GFCCVEGCSA-N -1 3 385.432 0.352 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574974603 949989431 /nfs/dbraw/zinc/98/94/31/949989431.db2.gz BRKPGHKIZXFWRK-MFKMUULPSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCc2cccnc21 ZINC001574974603 949989450 /nfs/dbraw/zinc/98/94/50/949989450.db2.gz BRKPGHKIZXFWRK-MFKMUULPSA-N -1 3 380.412 0.554 20 0 GCADHM C[C@H](NC(=O)CN1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001575286714 949990245 /nfs/dbraw/zinc/99/02/45/949990245.db2.gz XUVGEGOPHKQYBL-BBATYDOGSA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncc[nH]2)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576181254 949990776 /nfs/dbraw/zinc/99/07/76/949990776.db2.gz SIHGPQMKNPAXSE-GXFFZTMASA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2ncc[nH]2)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576181254 949990794 /nfs/dbraw/zinc/99/07/94/949990794.db2.gz SIHGPQMKNPAXSE-GXFFZTMASA-N -1 3 383.416 0.589 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573831338 949992055 /nfs/dbraw/zinc/99/20/55/949992055.db2.gz VKZITORDZUCDSF-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573831338 949992071 /nfs/dbraw/zinc/99/20/71/949992071.db2.gz VKZITORDZUCDSF-QGZVFWFLSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001574490366 949992575 /nfs/dbraw/zinc/99/25/75/949992575.db2.gz QFWZJBGBLFVGNQ-WDEREUQCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001574490366 949992583 /nfs/dbraw/zinc/99/25/83/949992583.db2.gz QFWZJBGBLFVGNQ-WDEREUQCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001575287025 949994818 /nfs/dbraw/zinc/99/48/18/949994818.db2.gz ZPMVRCOXBOBTER-NEPJUHHUSA-N -1 3 383.416 0.214 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001575287025 949994833 /nfs/dbraw/zinc/99/48/33/949994833.db2.gz ZPMVRCOXBOBTER-NEPJUHHUSA-N -1 3 383.416 0.214 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574490427 949995763 /nfs/dbraw/zinc/99/57/63/949995763.db2.gz RJSYNIVKNMBIRQ-QWRGUYRKSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574490427 949995780 /nfs/dbraw/zinc/99/57/80/949995780.db2.gz RJSYNIVKNMBIRQ-QWRGUYRKSA-N -1 3 392.439 0.389 20 0 GCADHM C[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001574490447 949995911 /nfs/dbraw/zinc/99/59/11/949995911.db2.gz RWWVSRXCMBSIOU-VHSXEESVSA-N -1 3 392.489 0.312 20 0 GCADHM C[C@H](NC(=O)CCn1ccnc1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575287000 949996614 /nfs/dbraw/zinc/99/66/14/949996614.db2.gz ZCHOAVXXMLULEQ-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM C[C@H](NC(=O)CCn1ccnc1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575287000 949996636 /nfs/dbraw/zinc/99/66/36/949996636.db2.gz ZCHOAVXXMLULEQ-NSHDSACASA-N -1 3 383.416 0.058 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574148864 949997010 /nfs/dbraw/zinc/99/70/10/949997010.db2.gz RMUDYMCISKUJOL-NSHDSACASA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@@H](CNC(=O)Cc1ncc[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574148864 949997024 /nfs/dbraw/zinc/99/70/24/949997024.db2.gz RMUDYMCISKUJOL-NSHDSACASA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1CCOC1 ZINC001574148888 949999346 /nfs/dbraw/zinc/99/93/46/949999346.db2.gz RWECFXGRSPEMFA-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1CCOC1 ZINC001574148888 949999361 /nfs/dbraw/zinc/99/93/61/949999361.db2.gz RWECFXGRSPEMFA-GXTWGEPZSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC(C)(C)O ZINC001574148840 950000131 /nfs/dbraw/zinc/00/01/31/950000131.db2.gz RCDFDMNEEKBHEA-GFCCVEGCSA-N -1 3 377.449 0.617 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC(C)(C)O ZINC001574148840 950000145 /nfs/dbraw/zinc/00/01/45/950000145.db2.gz RCDFDMNEEKBHEA-GFCCVEGCSA-N -1 3 377.449 0.617 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3ccccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575573682 950000599 /nfs/dbraw/zinc/00/05/99/950000599.db2.gz ODDNIVXVFRDAGK-KRWDZBQOSA-N -1 3 390.469 0.134 20 0 GCADHM C[C@@]1(C(=O)NC2CN(Cc3ccccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575573682 950000618 /nfs/dbraw/zinc/00/06/18/950000618.db2.gz ODDNIVXVFRDAGK-KRWDZBQOSA-N -1 3 390.469 0.134 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cncs1 ZINC001575891347 950001932 /nfs/dbraw/zinc/00/19/32/950001932.db2.gz IPPQOHHRUZWDEB-GXSJLCMTSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cncs1 ZINC001575891347 950001961 /nfs/dbraw/zinc/00/19/61/950001961.db2.gz IPPQOHHRUZWDEB-GXSJLCMTSA-N -1 3 386.441 0.613 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C2CC2)on1 ZINC001574974719 950004087 /nfs/dbraw/zinc/00/40/87/950004087.db2.gz SDZDCPLSDUQLIJ-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C2CC2)on1 ZINC001574974719 950004117 /nfs/dbraw/zinc/00/41/17/950004117.db2.gz SDZDCPLSDUQLIJ-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cnsn1 ZINC001575891451 950006995 /nfs/dbraw/zinc/00/69/95/950006995.db2.gz JXJWRLMLOYTNNN-BDAKNGLRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cnsn1 ZINC001575891451 950007010 /nfs/dbraw/zinc/00/70/10/950007010.db2.gz JXJWRLMLOYTNNN-BDAKNGLRSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cnn2c1CCC2 ZINC001574974973 950006906 /nfs/dbraw/zinc/00/69/06/950006906.db2.gz UDTDIVYQWIVCTR-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cnn2c1CCC2 ZINC001574974973 950006926 /nfs/dbraw/zinc/00/69/26/950006926.db2.gz UDTDIVYQWIVCTR-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574149566 950009774 /nfs/dbraw/zinc/00/97/74/950009774.db2.gz WGUYPMMPUHHPBZ-LXIYXOSZSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574149566 950009795 /nfs/dbraw/zinc/00/97/95/950009795.db2.gz WGUYPMMPUHHPBZ-LXIYXOSZSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cn1ccnc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574149513 950010055 /nfs/dbraw/zinc/01/00/55/950010055.db2.gz VRWCXXXQLQKWCM-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@H](CNC(=O)Cn1ccnc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574149513 950010068 /nfs/dbraw/zinc/01/00/68/950010068.db2.gz VRWCXXXQLQKWCM-CYBMUJFWSA-N -1 3 385.432 0.352 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001574149633 950013014 /nfs/dbraw/zinc/01/30/14/950013014.db2.gz WULOYIZBKJDZBQ-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cc1cc[nH]n1 ZINC001574149633 950013034 /nfs/dbraw/zinc/01/30/34/950013034.db2.gz WULOYIZBKJDZBQ-GFCCVEGCSA-N -1 3 385.432 0.421 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CC(C)(C)C ZINC001574490687 950014019 /nfs/dbraw/zinc/01/40/19/950014019.db2.gz XJEAYKIDPWGANS-WCQYABFASA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CC(C)(C)C ZINC001574490687 950014040 /nfs/dbraw/zinc/01/40/40/950014040.db2.gz XJEAYKIDPWGANS-WCQYABFASA-N -1 3 391.476 0.864 20 0 GCADHM CC1(C(=O)NC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CCOCC1 ZINC001575574358 950016568 /nfs/dbraw/zinc/01/65/68/950016568.db2.gz UCLFCYIWBUMTTC-AWEZNQCLSA-N -1 3 387.444 0.636 20 0 GCADHM CC1(C(=O)NC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CCOCC1 ZINC001575574358 950016590 /nfs/dbraw/zinc/01/65/90/950016590.db2.gz UCLFCYIWBUMTTC-AWEZNQCLSA-N -1 3 387.444 0.636 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150187 950018000 /nfs/dbraw/zinc/01/80/00/950018000.db2.gz YWRGJSZHLYKUGF-RMRHIDDWSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150187 950018021 /nfs/dbraw/zinc/01/80/21/950018021.db2.gz YWRGJSZHLYKUGF-RMRHIDDWSA-N -1 3 387.444 0.348 20 0 GCADHM CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001573834142 950018429 /nfs/dbraw/zinc/01/84/29/950018429.db2.gz GTNLYJUZIWNFLJ-WCQYABFASA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001573834142 950018449 /nfs/dbraw/zinc/01/84/49/950018449.db2.gz GTNLYJUZIWNFLJ-WCQYABFASA-N -1 3 375.433 0.323 20 0 GCADHM CC1(C(=O)N[C@@H]2COC3(CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)CCC1 ZINC001575574369 950019863 /nfs/dbraw/zinc/01/98/63/950019863.db2.gz UJBKNRSHQGFIGA-LBPRGKRZSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)N[C@@H]2COC3(CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)C2)CCC1 ZINC001575574369 950019885 /nfs/dbraw/zinc/01/98/85/950019885.db2.gz UJBKNRSHQGFIGA-LBPRGKRZSA-N -1 3 385.428 0.485 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1csnn1 ZINC001575891676 950022997 /nfs/dbraw/zinc/02/29/97/950022997.db2.gz MMVIEEAEQUKSRI-IUCAKERBSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1csnn1 ZINC001575891676 950023023 /nfs/dbraw/zinc/02/30/23/950023023.db2.gz MMVIEEAEQUKSRI-IUCAKERBSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001576181875 950025273 /nfs/dbraw/zinc/02/52/73/950025273.db2.gz WJQJVEUJQXAQGE-SCZZXKLOSA-N -1 3 378.824 0.297 20 0 GCADHM C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001576181875 950025296 /nfs/dbraw/zinc/02/52/96/950025296.db2.gz WJQJVEUJQXAQGE-SCZZXKLOSA-N -1 3 378.824 0.297 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001574150365 950025365 /nfs/dbraw/zinc/02/53/65/950025365.db2.gz ZDHKHLRKHRCVSV-CHWSQXEVSA-N -1 3 389.460 0.882 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCOC1 ZINC001574150365 950025388 /nfs/dbraw/zinc/02/53/88/950025388.db2.gz ZDHKHLRKHRCVSV-CHWSQXEVSA-N -1 3 389.460 0.882 20 0 GCADHM C[C@@H](CC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574491172 950026629 /nfs/dbraw/zinc/02/66/29/950026629.db2.gz AMCFYXPPIJCRHT-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574491172 950026649 /nfs/dbraw/zinc/02/66/49/950026649.db2.gz AMCFYXPPIJCRHT-NSHDSACASA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574491237 950030989 /nfs/dbraw/zinc/03/09/89/950030989.db2.gz BLMAMPQFMRGFRZ-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574491237 950031012 /nfs/dbraw/zinc/03/10/12/950031012.db2.gz BLMAMPQFMRGFRZ-WCQYABFASA-N -1 3 383.416 0.373 20 0 GCADHM CC(C)(C)CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001573835173 950039068 /nfs/dbraw/zinc/03/90/68/950039068.db2.gz QHSQAZKUBLHNIE-CHWSQXEVSA-N -1 3 377.424 0.893 20 0 GCADHM CC(C)(C)CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573835173 950039088 /nfs/dbraw/zinc/03/90/88/950039088.db2.gz QHSQAZKUBLHNIE-CHWSQXEVSA-N -1 3 377.424 0.893 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnsn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574150827 950040274 /nfs/dbraw/zinc/04/02/74/950040274.db2.gz FBUHKSUVZLDSRL-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1cnsn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574150827 950040288 /nfs/dbraw/zinc/04/02/88/950040288.db2.gz FBUHKSUVZLDSRL-SNVBAGLBSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)C(=O)N1CCC(C)CC1 ZINC001576182168 950040946 /nfs/dbraw/zinc/04/09/46/950040946.db2.gz YHCOQZULRLDXIQ-CYBMUJFWSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)C(=O)N1CCC(C)CC1 ZINC001576182168 950040969 /nfs/dbraw/zinc/04/09/69/950040969.db2.gz YHCOQZULRLDXIQ-CYBMUJFWSA-N -1 3 386.460 0.779 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575891947 950041335 /nfs/dbraw/zinc/04/13/35/950041335.db2.gz PPHXHECDQCNJNA-RYUDHWBXSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)CC1(O)CCC1 ZINC001575891947 950041358 /nfs/dbraw/zinc/04/13/58/950041358.db2.gz PPHXHECDQCNJNA-RYUDHWBXSA-N -1 3 387.444 0.609 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575892003 950042096 /nfs/dbraw/zinc/04/20/96/950042096.db2.gz QFBQVNUCKZBJGC-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1cncnc1 ZINC001575892003 950042116 /nfs/dbraw/zinc/04/21/16/950042116.db2.gz QFBQVNUCKZBJGC-PWSUYJOCSA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573835345 950046229 /nfs/dbraw/zinc/04/62/29/950046229.db2.gz VJPQSJRJDQFTBL-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573835345 950046251 /nfs/dbraw/zinc/04/62/51/950046251.db2.gz VJPQSJRJDQFTBL-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574731424 950048179 /nfs/dbraw/zinc/04/81/79/950048179.db2.gz DLKVFFNVDRSAGR-MFKMUULPSA-N -1 3 375.408 0.885 20 0 GCADHM C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574731424 950048199 /nfs/dbraw/zinc/04/81/99/950048199.db2.gz DLKVFFNVDRSAGR-MFKMUULPSA-N -1 3 375.408 0.885 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151035 950048198 /nfs/dbraw/zinc/04/81/98/950048198.db2.gz JVUGVSXSWYEKKK-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccnnc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151035 950048223 /nfs/dbraw/zinc/04/82/23/950048223.db2.gz JVUGVSXSWYEKKK-LBPRGKRZSA-N -1 3 383.416 0.559 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574731375 950050718 /nfs/dbraw/zinc/05/07/18/950050718.db2.gz CVLXAIDKJGPVOJ-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM CC(C)c1nccn1CC(=O)N(C)C[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001574731375 950050742 /nfs/dbraw/zinc/05/07/42/950050742.db2.gz CVLXAIDKJGPVOJ-LBPRGKRZSA-N -1 3 384.448 0.936 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CN(C)c1ccccc1 ZINC001574975944 950053165 /nfs/dbraw/zinc/05/31/65/950053165.db2.gz KQKZSKKTRVPOQO-GFCCVEGCSA-N -1 3 382.428 0.566 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CN(C)c1ccccc1 ZINC001574975944 950053186 /nfs/dbraw/zinc/05/31/86/950053186.db2.gz KQKZSKKTRVPOQO-GFCCVEGCSA-N -1 3 382.428 0.566 20 0 GCADHM CC(C)(C)CC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573835401 950053866 /nfs/dbraw/zinc/05/38/66/950053866.db2.gz WXQSOXAJDLFXNW-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM CC(C)(C)CC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573835401 950053889 /nfs/dbraw/zinc/05/38/89/950053889.db2.gz WXQSOXAJDLFXNW-UHFFFAOYSA-N -1 3 375.433 0.324 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2ncccc2-c2nnn[n-]2)C2CC2)CCC(=O)NC1 ZINC001575575518 950054336 /nfs/dbraw/zinc/05/43/36/950054336.db2.gz KCVHGMOYXBRQDJ-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H](Nc2ncccc2-c2nn[n-]n2)C2CC2)CCC(=O)NC1 ZINC001575575518 950054362 /nfs/dbraw/zinc/05/43/62/950054362.db2.gz KCVHGMOYXBRQDJ-SCLBCKFNSA-N -1 3 384.444 0.485 20 0 GCADHM CC1CCN(C(=O)CN2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CC1 ZINC001576182470 950057655 /nfs/dbraw/zinc/05/76/55/950057655.db2.gz MESBWDNMSIDEGL-UHFFFAOYSA-N -1 3 386.460 0.211 20 0 GCADHM CC1CCN(C(=O)CN2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CC1 ZINC001576182470 950057677 /nfs/dbraw/zinc/05/76/77/950057677.db2.gz MESBWDNMSIDEGL-UHFFFAOYSA-N -1 3 386.460 0.211 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001576182476 950058040 /nfs/dbraw/zinc/05/80/40/950058040.db2.gz MFKKDLALMQAVBH-ZDUSSCGKSA-N -1 3 386.460 0.257 20 0 GCADHM CC1CCN(C(=O)CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001576182476 950058058 /nfs/dbraw/zinc/05/80/58/950058058.db2.gz MFKKDLALMQAVBH-ZDUSSCGKSA-N -1 3 386.460 0.257 20 0 GCADHM CC(C)C[C@H](CN[C@@H](C)c1nnnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151111 950057726 /nfs/dbraw/zinc/05/77/26/950057726.db2.gz KZOJRCHWCCNDGR-WDEREUQCSA-N -1 3 387.452 0.214 20 0 GCADHM CC(C)(C)CC(=O)N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573835564 950059722 /nfs/dbraw/zinc/05/97/22/950059722.db2.gz YGLNPFNEFJDHME-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)(C)CC(=O)N[C@@H]1COC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573835564 950059744 /nfs/dbraw/zinc/05/97/44/950059744.db2.gz YGLNPFNEFJDHME-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cncn1C ZINC001574151173 950060700 /nfs/dbraw/zinc/06/07/00/950060700.db2.gz MOFABSRZHLZGGN-NSHDSACASA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cncn1C ZINC001574151173 950060726 /nfs/dbraw/zinc/06/07/26/950060726.db2.gz MOFABSRZHLZGGN-NSHDSACASA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cn(C)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574151157 950061626 /nfs/dbraw/zinc/06/16/26/950061626.db2.gz MFRNXXQEONVKNQ-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cn(C)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574151157 950061640 /nfs/dbraw/zinc/06/16/40/950061640.db2.gz MFRNXXQEONVKNQ-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576182789 950066206 /nfs/dbraw/zinc/06/62/06/950066206.db2.gz PJXPNYRYZNSYFS-NOZJJQNGSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576182789 950066228 /nfs/dbraw/zinc/06/62/28/950066228.db2.gz PJXPNYRYZNSYFS-NOZJJQNGSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574732101 950066471 /nfs/dbraw/zinc/06/64/71/950066471.db2.gz GCDKJVSFTQLURK-CABZTGNLSA-N -1 3 391.411 0.203 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574732101 950066487 /nfs/dbraw/zinc/06/64/87/950066487.db2.gz GCDKJVSFTQLURK-CABZTGNLSA-N -1 3 391.411 0.203 20 0 GCADHM CC1(C(=O)NCC2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCOCC2)CCC1 ZINC001575576191 950067781 /nfs/dbraw/zinc/06/77/81/950067781.db2.gz PDMVAGYXAZIPDR-UHFFFAOYSA-N -1 3 387.444 0.780 20 0 GCADHM CC1(C(=O)NCC2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCOCC2)CCC1 ZINC001575576191 950067796 /nfs/dbraw/zinc/06/77/96/950067796.db2.gz PDMVAGYXAZIPDR-UHFFFAOYSA-N -1 3 387.444 0.780 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1csnn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151352 950068016 /nfs/dbraw/zinc/06/80/16/950068016.db2.gz PRPBUCUSMVISEC-SECBINFHSA-N -1 3 389.445 0.621 20 0 GCADHM CC(C)C[C@H](CNC(=O)c1csnn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151352 950068039 /nfs/dbraw/zinc/06/80/39/950068039.db2.gz PRPBUCUSMVISEC-SECBINFHSA-N -1 3 389.445 0.621 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575892466 950068333 /nfs/dbraw/zinc/06/83/33/950068333.db2.gz WKTKWQZUKJQXON-GHMZBOCLSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ncccn1 ZINC001575892466 950068354 /nfs/dbraw/zinc/06/83/54/950068354.db2.gz WKTKWQZUKJQXON-GHMZBOCLSA-N -1 3 381.400 0.408 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnn(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151357 950069013 /nfs/dbraw/zinc/06/90/13/950069013.db2.gz PVBQBELFOWNHAE-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1cnn(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151357 950069029 /nfs/dbraw/zinc/06/90/29/950069029.db2.gz PVBQBELFOWNHAE-LBPRGKRZSA-N -1 3 385.432 0.503 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574976345 950071330 /nfs/dbraw/zinc/07/13/30/950071330.db2.gz QOXHPBVXGFIKQG-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)Oc1cccnc1 ZINC001574976345 950071348 /nfs/dbraw/zinc/07/13/48/950071348.db2.gz QOXHPBVXGFIKQG-MNOVXSKESA-N -1 3 384.400 0.292 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001575576518 950071585 /nfs/dbraw/zinc/07/15/85/950071585.db2.gz QIRJULINIOKQLZ-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001575576518 950071602 /nfs/dbraw/zinc/07/16/02/950071602.db2.gz QIRJULINIOKQLZ-LBPRGKRZSA-N -1 3 375.433 0.372 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574976393 950074174 /nfs/dbraw/zinc/07/41/74/950074174.db2.gz RTZRZFBDYGFBMQ-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H](C)C1CCOCC1 ZINC001574976393 950074197 /nfs/dbraw/zinc/07/41/97/950074197.db2.gz RTZRZFBDYGFBMQ-MNOVXSKESA-N -1 3 375.433 0.492 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575892602 950074097 /nfs/dbraw/zinc/07/40/97/950074097.db2.gz YHSCUVJYZAMXDJ-YPMHNXCESA-N -1 3 386.460 0.304 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC(=O)NCC1CC1 ZINC001575892602 950074118 /nfs/dbraw/zinc/07/41/18/950074118.db2.gz YHSCUVJYZAMXDJ-YPMHNXCESA-N -1 3 386.460 0.304 20 0 GCADHM C[C@H](CN(C)C(=O)Cn1cc(Cl)cn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574732778 950075435 /nfs/dbraw/zinc/07/54/35/950075435.db2.gz KPDNQCHMGJCVGG-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CN(C)C(=O)Cn1cc(Cl)cn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574732778 950075456 /nfs/dbraw/zinc/07/54/56/950075456.db2.gz KPDNQCHMGJCVGG-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575892610 950077837 /nfs/dbraw/zinc/07/78/37/950077837.db2.gz YIURJFMMFMHLFM-STQMWFEESA-N -1 3 382.428 0.806 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1cccc1 ZINC001575892610 950077857 /nfs/dbraw/zinc/07/78/57/950077857.db2.gz YIURJFMMFMHLFM-STQMWFEESA-N -1 3 382.428 0.806 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccn(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574151493 950078791 /nfs/dbraw/zinc/07/87/91/950078791.db2.gz SYKQZXXCXUMSRV-NSHDSACASA-N -1 3 385.432 0.503 20 0 GCADHM CC(C)C[C@@H](CNC(=O)c1ccn(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574151493 950078811 /nfs/dbraw/zinc/07/88/11/950078811.db2.gz SYKQZXXCXUMSRV-NSHDSACASA-N -1 3 385.432 0.503 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccn2C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575892728 950080298 /nfs/dbraw/zinc/08/02/98/950080298.db2.gz YUWNWYVMAYKHNR-NEPJUHHUSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2cccn2C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575892728 950080315 /nfs/dbraw/zinc/08/03/15/950080315.db2.gz YUWNWYVMAYKHNR-NEPJUHHUSA-N -1 3 382.428 0.956 20 0 GCADHM C[C@H]1CCN(C(=O)Cc2nnc[nH]2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576183302 950082421 /nfs/dbraw/zinc/08/24/21/950082421.db2.gz PCUYYLOPRMCJRH-RYUDHWBXSA-N -1 3 382.432 0.519 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574492469 950085973 /nfs/dbraw/zinc/08/59/73/950085973.db2.gz NDKDUJWCPJCKTR-MNOVXSKESA-N -1 3 392.489 0.456 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574492471 950087079 /nfs/dbraw/zinc/08/70/79/950087079.db2.gz NDKDUJWCPJCKTR-WDEREUQCSA-N -1 3 392.489 0.456 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576183400 950088410 /nfs/dbraw/zinc/08/84/10/950088410.db2.gz RHJDVMNZCKAAJZ-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cn[nH]c2)[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576183400 950088429 /nfs/dbraw/zinc/08/84/29/950088429.db2.gz RHJDVMNZCKAAJZ-IINYFYTJSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@]1(C(=O)NCC2(CCNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCOC1 ZINC001575577930 950088842 /nfs/dbraw/zinc/08/88/42/950088842.db2.gz YNKSLVJFHCCBET-KRWDZBQOSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@]1(C(=O)NCC2(CCNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCOC1 ZINC001575577930 950088864 /nfs/dbraw/zinc/08/88/64/950088864.db2.gz YNKSLVJFHCCBET-KRWDZBQOSA-N -1 3 387.444 0.638 20 0 GCADHM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574733065 950091677 /nfs/dbraw/zinc/09/16/77/950091677.db2.gz RATOYGWKWPBQKL-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574733065 950091697 /nfs/dbraw/zinc/09/16/97/950091697.db2.gz RATOYGWKWPBQKL-NSHDSACASA-N -1 3 382.432 0.690 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3cccc(F)c3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575581997 950094427 /nfs/dbraw/zinc/09/44/27/950094427.db2.gz BCSQRUONMPGSRQ-QGZVFWFLSA-N -1 3 387.419 0.983 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3cccc(F)c3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575581997 950094449 /nfs/dbraw/zinc/09/44/49/950094449.db2.gz BCSQRUONMPGSRQ-QGZVFWFLSA-N -1 3 387.419 0.983 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3cccc(F)c3-c3nnn[n-]3)CC2)CCC(=O)NC1 ZINC001575581996 950095421 /nfs/dbraw/zinc/09/54/21/950095421.db2.gz BCSQRUONMPGSRQ-KRWDZBQOSA-N -1 3 387.419 0.983 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3cccc(F)c3-c3nn[n-]n3)CC2)CCC(=O)NC1 ZINC001575581996 950095443 /nfs/dbraw/zinc/09/54/43/950095443.db2.gz BCSQRUONMPGSRQ-KRWDZBQOSA-N -1 3 387.419 0.983 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001573836842 950097149 /nfs/dbraw/zinc/09/71/49/950097149.db2.gz SKAVVVXCKYGBHO-UHFFFAOYSA-N -1 3 377.474 0.948 20 0 GCADHM CC(C)(C)CC(=O)NCC(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001573836842 950097169 /nfs/dbraw/zinc/09/71/69/950097169.db2.gz SKAVVVXCKYGBHO-UHFFFAOYSA-N -1 3 377.474 0.948 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)CCOC1 ZINC001575582054 950097045 /nfs/dbraw/zinc/09/70/45/950097045.db2.gz CXBRWICKJMLKMZ-JWXAPSBJSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)CCOC1 ZINC001575582054 950097066 /nfs/dbraw/zinc/09/70/66/950097066.db2.gz CXBRWICKJMLKMZ-JWXAPSBJSA-N -1 3 385.428 0.056 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575894435 950101760 /nfs/dbraw/zinc/10/17/60/950101760.db2.gz DQGGCVXFTGIBHE-GXFFZTMASA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cn(C)cn2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575894435 950101771 /nfs/dbraw/zinc/10/17/71/950101771.db2.gz DQGGCVXFTGIBHE-GXFFZTMASA-N -1 3 385.407 0.922 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1CNC(=O)c1cnon1 ZINC001576183735 950102432 /nfs/dbraw/zinc/10/24/32/950102432.db2.gz UEHSMNMBIGJJCN-NOZJJQNGSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1CNC(=O)c1cnon1 ZINC001576183735 950102443 /nfs/dbraw/zinc/10/24/43/950102443.db2.gz UEHSMNMBIGJJCN-NOZJJQNGSA-N -1 3 385.388 0.249 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CCC2)CCNC(=O)C1 ZINC001575582120 950104772 /nfs/dbraw/zinc/10/47/72/950104772.db2.gz FTBPQFJRNMAGNJ-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@@]1(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CCC2)CCNC(=O)C1 ZINC001575582120 950104785 /nfs/dbraw/zinc/10/47/85/950104785.db2.gz FTBPQFJRNMAGNJ-QGZVFWFLSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575894640 950106022 /nfs/dbraw/zinc/10/60/22/950106022.db2.gz FNQORAVDULBLQT-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccnn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575894640 950106034 /nfs/dbraw/zinc/10/60/34/950106034.db2.gz FNQORAVDULBLQT-CMPLNLGQSA-N -1 3 383.416 0.351 20 0 GCADHM C[C@H](CC(=O)NC[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1)NC(N)=O ZINC001574492807 950106993 /nfs/dbraw/zinc/10/69/93/950106993.db2.gz CXSJAPKLQLXDLV-PELKAZGASA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)NC[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1)NC(N)=O ZINC001574492807 950106998 /nfs/dbraw/zinc/10/69/98/950106998.db2.gz CXSJAPKLQLXDLV-PELKAZGASA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]c2ncccc12 ZINC001574977061 950107929 /nfs/dbraw/zinc/10/79/29/950107929.db2.gz GJPUZMHXAMDREM-VIFPVBQESA-N -1 3 379.384 0.619 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]c2ncccc12 ZINC001574977061 950107941 /nfs/dbraw/zinc/10/79/41/950107941.db2.gz GJPUZMHXAMDREM-VIFPVBQESA-N -1 3 379.384 0.619 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1)NC(N)=O ZINC001574492810 950108167 /nfs/dbraw/zinc/10/81/67/950108167.db2.gz CXSJAPKLQLXDLV-UFBFGSQYSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1)NC(N)=O ZINC001574492810 950108183 /nfs/dbraw/zinc/10/81/83/950108183.db2.gz CXSJAPKLQLXDLV-UFBFGSQYSA-N -1 3 391.411 0.154 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573837509 950111240 /nfs/dbraw/zinc/11/12/40/950111240.db2.gz ZTXDBSYZMHSJLS-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CC(=O)NC[C@@]1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573837509 950111264 /nfs/dbraw/zinc/11/12/64/950111264.db2.gz ZTXDBSYZMHSJLS-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1)n1ccnc1 ZINC001574493026 950111969 /nfs/dbraw/zinc/11/19/69/950111969.db2.gz QSGXTKHSTSOMNL-OLZOCXBDSA-N -1 3 382.432 0.590 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)[C@H](C)NC(N)=O ZINC001574152702 950113873 /nfs/dbraw/zinc/11/38/73/950113873.db2.gz HUCHVPCNXZDGFN-JQWIXIFHSA-N -1 3 375.437 0.261 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)[C@H](C)NC(N)=O ZINC001574152702 950113887 /nfs/dbraw/zinc/11/38/87/950113887.db2.gz HUCHVPCNXZDGFN-JQWIXIFHSA-N -1 3 375.437 0.261 20 0 GCADHM CC1(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575582532 950114910 /nfs/dbraw/zinc/11/49/10/950114910.db2.gz FIIUWNVCTSMXDT-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM CC1(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575582532 950114941 /nfs/dbraw/zinc/11/49/41/950114941.db2.gz FIIUWNVCTSMXDT-CYBMUJFWSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC001574977092 950115093 /nfs/dbraw/zinc/11/50/93/950115093.db2.gz GVFAXLBOMWQMHC-XPTSAGLGSA-N -1 3 386.391 0.268 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575582502 950115731 /nfs/dbraw/zinc/11/57/31/950115731.db2.gz DUXQNGGQJZLLRV-KZULUSFZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575582502 950115741 /nfs/dbraw/zinc/11/57/41/950115741.db2.gz DUXQNGGQJZLLRV-KZULUSFZSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncc(F)cc1F ZINC001574977524 950118787 /nfs/dbraw/zinc/11/87/87/950118787.db2.gz KWMRHURUTUWEKQ-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncc(F)cc1F ZINC001574977524 950118801 /nfs/dbraw/zinc/11/88/01/950118801.db2.gz KWMRHURUTUWEKQ-ZETCQYMHSA-N -1 3 376.327 0.416 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574152858 950121140 /nfs/dbraw/zinc/12/11/40/950121140.db2.gz KVIKCUQKZPILOQ-GOEBONIOSA-N -1 3 388.476 0.535 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574152858 950121153 /nfs/dbraw/zinc/12/11/53/950121153.db2.gz KVIKCUQKZPILOQ-GOEBONIOSA-N -1 3 388.476 0.535 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1CNC(=O)c1ncc[nH]1 ZINC001576184311 950122375 /nfs/dbraw/zinc/12/23/75/950122375.db2.gz VVYQPZHRZHJQAR-MFKMUULPSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1CNC(=O)c1ncc[nH]1 ZINC001576184311 950122393 /nfs/dbraw/zinc/12/23/93/950122393.db2.gz VVYQPZHRZHJQAR-MFKMUULPSA-N -1 3 383.416 0.589 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc2n[nH]cc2c1 ZINC001574977562 950122929 /nfs/dbraw/zinc/12/29/29/950122929.db2.gz LFZOTIIHNIVWRP-VIFPVBQESA-N -1 3 379.384 0.619 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574977575 950123241 /nfs/dbraw/zinc/12/32/41/950123241.db2.gz LRFKVERHVCFNTN-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc(C2CC2)n(C)n1 ZINC001574977575 950123255 /nfs/dbraw/zinc/12/32/55/950123255.db2.gz LRFKVERHVCFNTN-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncc(Cl)s1 ZINC001574977573 950123494 /nfs/dbraw/zinc/12/34/94/950123494.db2.gz LPKGKWPQOLNCLR-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncc(Cl)s1 ZINC001574977573 950123507 /nfs/dbraw/zinc/12/35/07/950123507.db2.gz LPKGKWPQOLNCLR-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)CCn1ccnn1 ZINC001574153094 950126603 /nfs/dbraw/zinc/12/66/03/950126603.db2.gz MNWMETOAKMUHQN-AWEZNQCLSA-N -1 3 384.448 0.886 20 0 GCADHM CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)CCn1ccnn1 ZINC001574153094 950126614 /nfs/dbraw/zinc/12/66/14/950126614.db2.gz MNWMETOAKMUHQN-AWEZNQCLSA-N -1 3 384.448 0.886 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(C(F)F)c1 ZINC001574977632 950127079 /nfs/dbraw/zinc/12/70/79/950127079.db2.gz MZKLUAZIVMUHAR-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(C(F)F)c1 ZINC001574977632 950127093 /nfs/dbraw/zinc/12/70/93/950127093.db2.gz MZKLUAZIVMUHAR-ZETCQYMHSA-N -1 3 379.331 0.335 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573839347 950131845 /nfs/dbraw/zinc/13/18/45/950131845.db2.gz RPOZWRLCCVNULT-GFCCVEGCSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573839347 950131860 /nfs/dbraw/zinc/13/18/60/950131860.db2.gz RPOZWRLCCVNULT-GFCCVEGCSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3cc(F)ccc3-c3nnn[n-]3)C2)CCOC1 ZINC001575582955 950132993 /nfs/dbraw/zinc/13/29/93/950132993.db2.gz NEXIUXZTYLYBBT-KRWDZBQOSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@]1(C(=O)NCC2(O)CN(Cc3cc(F)ccc3-c3nn[n-]n3)C2)CCOC1 ZINC001575582955 950133007 /nfs/dbraw/zinc/13/30/07/950133007.db2.gz NEXIUXZTYLYBBT-KRWDZBQOSA-N -1 3 390.419 0.095 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1csc(Cl)n1 ZINC001574978371 950138129 /nfs/dbraw/zinc/13/81/29/950138129.db2.gz SFDCNZDAIVZXOE-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1csc(Cl)n1 ZINC001574978371 950138143 /nfs/dbraw/zinc/13/81/43/950138143.db2.gz SFDCNZDAIVZXOE-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574734771 950139961 /nfs/dbraw/zinc/13/99/61/950139961.db2.gz QOEGEGUDJGMJSU-GXFFZTMASA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574734771 950139973 /nfs/dbraw/zinc/13/99/73/950139973.db2.gz QOEGEGUDJGMJSU-GXFFZTMASA-N -1 3 375.408 0.933 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001574493823 950140440 /nfs/dbraw/zinc/14/04/40/950140440.db2.gz HYJDOHAEMYIRNH-JQWIXIFHSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001574493823 950140448 /nfs/dbraw/zinc/14/04/48/950140448.db2.gz HYJDOHAEMYIRNH-JQWIXIFHSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575583231 950142223 /nfs/dbraw/zinc/14/22/23/950142223.db2.gz KRFFELROQZOUQS-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575583231 950142237 /nfs/dbraw/zinc/14/22/37/950142237.db2.gz KRFFELROQZOUQS-ACJLOTCBSA-N -1 3 387.444 0.732 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574978674 950142658 /nfs/dbraw/zinc/14/26/58/950142658.db2.gz UUWUTUCIXCFIRF-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001574978674 950142664 /nfs/dbraw/zinc/14/26/64/950142664.db2.gz UUWUTUCIXCFIRF-DDTOSNHZSA-N -1 3 380.412 0.628 20 0 GCADHM C[C@H](CN(C)CC(=O)N1CCC(C)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576184884 950147459 /nfs/dbraw/zinc/14/74/59/950147459.db2.gz XPKRBDLHGFFPCB-CYBMUJFWSA-N -1 3 388.476 0.503 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576185060 950154462 /nfs/dbraw/zinc/15/44/62/950154462.db2.gz ZELHTHFJZYOWQE-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576185060 950154469 /nfs/dbraw/zinc/15/44/69/950154469.db2.gz ZELHTHFJZYOWQE-ZWNOBZJWSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C=CCC1 ZINC001575583779 950155157 /nfs/dbraw/zinc/15/51/57/950155157.db2.gz UMPWPMDIATZDRP-MSOLQXFVSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C=CCC1 ZINC001575583779 950155170 /nfs/dbraw/zinc/15/51/70/950155170.db2.gz UMPWPMDIATZDRP-MSOLQXFVSA-N -1 3 385.428 0.244 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576185058 950155247 /nfs/dbraw/zinc/15/52/47/950155247.db2.gz ZELHTHFJZYOWQE-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576185058 950155259 /nfs/dbraw/zinc/15/52/59/950155259.db2.gz ZELHTHFJZYOWQE-GXFFZTMASA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001574982237 950155448 /nfs/dbraw/zinc/15/54/48/950155448.db2.gz ACURELFAGJEXLB-SNVBAGLBSA-N -1 3 382.428 0.808 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001574982237 950155462 /nfs/dbraw/zinc/15/54/62/950155462.db2.gz ACURELFAGJEXLB-SNVBAGLBSA-N -1 3 382.428 0.808 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnccn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575898535 950155863 /nfs/dbraw/zinc/15/58/63/950155863.db2.gz SVGYIAZYJZZVQA-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H]1[C@H](NC(=O)c2cnccn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575898535 950155878 /nfs/dbraw/zinc/15/58/78/950155878.db2.gz SVGYIAZYJZZVQA-ZYHUDNBSSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574982294 950158304 /nfs/dbraw/zinc/15/83/04/950158304.db2.gz ASQABTZUNAZXDA-SSDOTTSWSA-N -1 3 377.796 0.585 20 0 GCADHM C[C@H](CNC(=O)c1c[nH]c(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574982294 950158317 /nfs/dbraw/zinc/15/83/17/950158317.db2.gz ASQABTZUNAZXDA-SSDOTTSWSA-N -1 3 377.796 0.585 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)NC(=O)C[C@H](C)NC(N)=O ZINC001574154044 950160901 /nfs/dbraw/zinc/16/09/01/950160901.db2.gz ZVJZCANAAPPOQK-WCQYABFASA-N -1 3 389.464 0.651 20 0 GCADHM CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)NC(=O)C[C@H](C)NC(N)=O ZINC001574154044 950160912 /nfs/dbraw/zinc/16/09/12/950160912.db2.gz ZVJZCANAAPPOQK-WCQYABFASA-N -1 3 389.464 0.651 20 0 GCADHM CC1(C(=O)NCC2(O)CN(Cc3ccccc3-c3nnn[n-]3)C2)CCOCC1 ZINC001575584135 950162499 /nfs/dbraw/zinc/16/24/99/950162499.db2.gz VXLULSPAQUONSZ-UHFFFAOYSA-N -1 3 386.456 0.346 20 0 GCADHM CC1(C(=O)NCC2(O)CN(Cc3ccccc3-c3nn[n-]n3)C2)CCOCC1 ZINC001575584135 950162510 /nfs/dbraw/zinc/16/25/10/950162510.db2.gz VXLULSPAQUONSZ-UHFFFAOYSA-N -1 3 386.456 0.346 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2n(n1)CCC2 ZINC001574737978 950163119 /nfs/dbraw/zinc/16/31/19/950163119.db2.gz AETSGVGIBJBVKE-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2n(n1)CCC2 ZINC001574737978 950163128 /nfs/dbraw/zinc/16/31/28/950163128.db2.gz AETSGVGIBJBVKE-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1cn(C(C)(C)C)nn1 ZINC001574738033 950164558 /nfs/dbraw/zinc/16/45/58/950164558.db2.gz BGGJKZIILOBCBC-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1nn(C)cc1Cl ZINC001574982358 950164704 /nfs/dbraw/zinc/16/47/04/950164704.db2.gz BTBDKWXDQGDSAQ-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1nn(C)cc1Cl ZINC001574982358 950164716 /nfs/dbraw/zinc/16/47/16/950164716.db2.gz BTBDKWXDQGDSAQ-QMMMGPOBSA-N -1 3 391.823 0.378 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ncccc3-c3nnn[n-]3)CCCC2)CCNC1=O ZINC001575584177 950166670 /nfs/dbraw/zinc/16/66/70/950166670.db2.gz WLEATLBTPBOFLG-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@]1(C(=O)NCC2(Nc3ncccc3-c3nn[n-]n3)CCCC2)CCNC1=O ZINC001575584177 950166680 /nfs/dbraw/zinc/16/66/80/950166680.db2.gz WLEATLBTPBOFLG-KRWDZBQOSA-N -1 3 384.444 0.629 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C)NC(N)=O ZINC001574494516 950168153 /nfs/dbraw/zinc/16/81/53/950168153.db2.gz KMABOPZOLVZOTG-GXFFZTMASA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C)NC(N)=O ZINC001574494516 950168166 /nfs/dbraw/zinc/16/81/66/950168166.db2.gz KMABOPZOLVZOTG-GXFFZTMASA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1cccn1 ZINC001574494555 950168356 /nfs/dbraw/zinc/16/83/56/950168356.db2.gz LBHWBGKKWQKTMU-RYUDHWBXSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1cccn1 ZINC001574494555 950168373 /nfs/dbraw/zinc/16/83/73/950168373.db2.gz LBHWBGKKWQKTMU-RYUDHWBXSA-N -1 3 388.407 0.743 20 0 GCADHM CC1(C(=O)NC[C@H]2CCC3(CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C3)O2)CC1 ZINC001575584490 950169453 /nfs/dbraw/zinc/16/94/53/950169453.db2.gz RNKLOAFHNHTKDQ-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM CC1(C(=O)NC[C@H]2CCC3(CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C3)O2)CC1 ZINC001575584490 950169465 /nfs/dbraw/zinc/16/94/65/950169465.db2.gz RNKLOAFHNHTKDQ-GFCCVEGCSA-N -1 3 385.428 0.485 20 0 GCADHM CC(C)(C)CCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573843378 950173659 /nfs/dbraw/zinc/17/36/59/950173659.db2.gz WGEGGPNPRIUJSH-OLZOCXBDSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)CCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573843378 950173674 /nfs/dbraw/zinc/17/36/74/950173674.db2.gz WGEGGPNPRIUJSH-OLZOCXBDSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc2n1CCC2 ZINC001574738640 950175628 /nfs/dbraw/zinc/17/56/28/950175628.db2.gz HMKIJESFWDJZRK-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc2n1CCC2 ZINC001574738640 950175639 /nfs/dbraw/zinc/17/56/39/950175639.db2.gz HMKIJESFWDJZRK-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](Nc1cnc(-c2nnn[n-]2)cn1)C1CC1)n1ccnc1 ZINC001574494693 950177883 /nfs/dbraw/zinc/17/78/83/950177883.db2.gz MSJQWZZDCLNOSJ-AAEUAGOBSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)n1ccnc1 ZINC001574494693 950177900 /nfs/dbraw/zinc/17/79/00/950177900.db2.gz MSJQWZZDCLNOSJ-AAEUAGOBSA-N -1 3 382.432 0.811 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573843425 950178297 /nfs/dbraw/zinc/17/82/97/950178297.db2.gz XQSKCCWFTYKUEU-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)(C)CCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573843425 950178305 /nfs/dbraw/zinc/17/83/05/950178305.db2.gz XQSKCCWFTYKUEU-SFHVURJKSA-N -1 3 389.460 0.714 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccon2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576191058 950184104 /nfs/dbraw/zinc/18/41/04/950184104.db2.gz DJIBFDAOKIALFC-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccon2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576191058 950184125 /nfs/dbraw/zinc/18/41/25/950184125.db2.gz DJIBFDAOKIALFC-CMPLNLGQSA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574982850 950188008 /nfs/dbraw/zinc/18/80/08/950188008.db2.gz HCOPCWQXGAGGEU-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H](CNC(=O)c1c[nH]nc1C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574982850 950188021 /nfs/dbraw/zinc/18/80/21/950188021.db2.gz HCOPCWQXGAGGEU-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn2c(n1)CCC2 ZINC001574739382 950190425 /nfs/dbraw/zinc/19/04/25/950190425.db2.gz OLXCRCQSLVHZGE-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn2c(n1)CCC2 ZINC001574739382 950190436 /nfs/dbraw/zinc/19/04/36/950190436.db2.gz OLXCRCQSLVHZGE-SNVBAGLBSA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(Nc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575585229 950190547 /nfs/dbraw/zinc/19/05/47/950190547.db2.gz XWXIPFSQMZRALD-NBZRYXJFSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NCC2CC(Nc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575585229 950190558 /nfs/dbraw/zinc/19/05/58/950190558.db2.gz XWXIPFSQMZRALD-NBZRYXJFSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)NCC2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575585299 950191420 /nfs/dbraw/zinc/19/14/20/950191420.db2.gz YHGVDVCZRRRNMJ-GFJXOLGBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@]1(C(=O)NCC2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575585299 950191440 /nfs/dbraw/zinc/19/14/40/950191440.db2.gz YHGVDVCZRRRNMJ-GFJXOLGBSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001574982979 950191730 /nfs/dbraw/zinc/19/17/30/950191730.db2.gz ILSNTQRNTWMRKX-YPMHNXCESA-N -1 3 387.444 0.494 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001574982979 950191750 /nfs/dbraw/zinc/19/17/50/950191750.db2.gz ILSNTQRNTWMRKX-YPMHNXCESA-N -1 3 387.444 0.494 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1c[nH]nc1C1CC1 ZINC001574739413 950194012 /nfs/dbraw/zinc/19/40/12/950194012.db2.gz POAKJYQKSYORID-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1c[nH]nc1C1CC1 ZINC001574739413 950194023 /nfs/dbraw/zinc/19/40/23/950194023.db2.gz POAKJYQKSYORID-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2csnn2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575900268 950195035 /nfs/dbraw/zinc/19/50/35/950195035.db2.gz CZWYRUINYHVJAZ-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2csnn2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575900268 950195040 /nfs/dbraw/zinc/19/50/40/950195040.db2.gz CZWYRUINYHVJAZ-SCZZXKLOSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@]1(C)CCCOC1 ZINC001574983039 950197483 /nfs/dbraw/zinc/19/74/83/950197483.db2.gz JAUJRAQSOYDSFW-PIGZYNQJSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@]1(C)CCCOC1 ZINC001574983039 950197493 /nfs/dbraw/zinc/19/74/93/950197493.db2.gz JAUJRAQSOYDSFW-PIGZYNQJSA-N -1 3 375.433 0.494 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CN(c2ncccc2-c2nnn[n-]2)CC1(C)C)NC(N)=O ZINC001574495002 950197586 /nfs/dbraw/zinc/19/75/86/950197586.db2.gz RAWQCVPBMHDWLG-JQWIXIFHSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1CN(c2ncccc2-c2nn[n-]n2)CC1(C)C)NC(N)=O ZINC001574495002 950197608 /nfs/dbraw/zinc/19/76/08/950197608.db2.gz RAWQCVPBMHDWLG-JQWIXIFHSA-N -1 3 387.448 0.040 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574739530 950199836 /nfs/dbraw/zinc/19/98/36/950199836.db2.gz REKTYTGPQQIVHY-MRVPVSSYSA-N -1 3 391.823 0.927 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574739530 950199846 /nfs/dbraw/zinc/19/98/46/950199846.db2.gz REKTYTGPQQIVHY-MRVPVSSYSA-N -1 3 391.823 0.927 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576191611 950202745 /nfs/dbraw/zinc/20/27/45/950202745.db2.gz HJIVDLHIHNULKI-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576191611 950202762 /nfs/dbraw/zinc/20/27/62/950202762.db2.gz HJIVDLHIHNULKI-NWDGAFQWSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)c1cccnc1)C1CC1 ZINC001574983172 950204478 /nfs/dbraw/zinc/20/44/78/950204478.db2.gz LNZYCMCRNWJQBV-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)c1cccnc1)C1CC1 ZINC001574983172 950204497 /nfs/dbraw/zinc/20/44/97/950204497.db2.gz LNZYCMCRNWJQBV-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575585837 950207359 /nfs/dbraw/zinc/20/73/59/950207359.db2.gz DNXJWEAQMDKTKK-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2CCCN2c2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575585837 950207372 /nfs/dbraw/zinc/20/73/72/950207372.db2.gz DNXJWEAQMDKTKK-KPZWWZAWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCc1nnn(C(C)(C)C)n1 ZINC001574739857 950209860 /nfs/dbraw/zinc/20/98/60/950209860.db2.gz YDUGPPBVOMSIKG-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnn(C(C)(C)C)n1 ZINC001574739857 950209878 /nfs/dbraw/zinc/20/98/78/950209878.db2.gz YDUGPPBVOMSIKG-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574496077 950211597 /nfs/dbraw/zinc/21/15/97/950211597.db2.gz VDJOCLQVFWVGBP-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574496077 950211611 /nfs/dbraw/zinc/21/16/11/950211611.db2.gz VDJOCLQVFWVGBP-GXFFZTMASA-N -1 3 375.433 0.180 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCc1nnn(C(C)(C)C)n1 ZINC001574739856 950212303 /nfs/dbraw/zinc/21/23/03/950212303.db2.gz YDUGPPBVOMSIKG-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnn(C(C)(C)C)n1 ZINC001574739856 950212315 /nfs/dbraw/zinc/21/23/15/950212315.db2.gz YDUGPPBVOMSIKG-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574739961 950213704 /nfs/dbraw/zinc/21/37/04/950213704.db2.gz AEWCHBQEJFNZIS-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574739961 950213719 /nfs/dbraw/zinc/21/37/19/950213719.db2.gz AEWCHBQEJFNZIS-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575901022 950216548 /nfs/dbraw/zinc/21/65/48/950216548.db2.gz JZYACJWUEZPOBM-CMPLNLGQSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2nccnc2N)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575901022 950216566 /nfs/dbraw/zinc/21/65/66/950216566.db2.gz JZYACJWUEZPOBM-CMPLNLGQSA-N -1 3 380.416 0.421 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCCC(=O)N(C)C ZINC001574740198 950220526 /nfs/dbraw/zinc/22/05/26/950220526.db2.gz BSNPPBRZKWTLDU-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCCC(=O)N(C)C ZINC001574740198 950220541 /nfs/dbraw/zinc/22/05/41/950220541.db2.gz BSNPPBRZKWTLDU-LLVKDONJSA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574496999 950221037 /nfs/dbraw/zinc/22/10/37/950221037.db2.gz YCAVYQPRAHAREM-MNOVXSKESA-N -1 3 392.439 0.389 20 0 GCADHM C[C@H](CC(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574496999 950221056 /nfs/dbraw/zinc/22/10/56/950221056.db2.gz YCAVYQPRAHAREM-MNOVXSKESA-N -1 3 392.439 0.389 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)(C)C ZINC001574497304 950228045 /nfs/dbraw/zinc/22/80/45/950228045.db2.gz ZEODXYMPQHIFDN-NEPJUHHUSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)(C)C ZINC001574497304 950228067 /nfs/dbraw/zinc/22/80/67/950228067.db2.gz ZEODXYMPQHIFDN-NEPJUHHUSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccccn1 ZINC001574740754 950229045 /nfs/dbraw/zinc/22/90/45/950229045.db2.gz FYHWUEFZHXAHJX-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccccn1 ZINC001574740754 950229062 /nfs/dbraw/zinc/22/90/62/950229062.db2.gz FYHWUEFZHXAHJX-LBPRGKRZSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)(C)C ZINC001574497305 950229208 /nfs/dbraw/zinc/22/92/08/950229208.db2.gz ZEODXYMPQHIFDN-NWDGAFQWSA-N -1 3 391.476 0.864 20 0 GCADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)(C)C ZINC001574497305 950229226 /nfs/dbraw/zinc/22/92/26/950229226.db2.gz ZEODXYMPQHIFDN-NWDGAFQWSA-N -1 3 391.476 0.864 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574983575 950229682 /nfs/dbraw/zinc/22/96/82/950229682.db2.gz PUXLHYRWNUDQBA-JTQLQIEISA-N -1 3 385.432 0.837 20 0 GCADHM CC(C)c1n[nH]cc1C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574983575 950229701 /nfs/dbraw/zinc/22/97/01/950229701.db2.gz PUXLHYRWNUDQBA-JTQLQIEISA-N -1 3 385.432 0.837 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576192252 950234489 /nfs/dbraw/zinc/23/44/89/950234489.db2.gz LDVIXSHYNKSNHT-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576192252 950234509 /nfs/dbraw/zinc/23/45/09/950234509.db2.gz LDVIXSHYNKSNHT-VXGBXAGGSA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COCC1CCCC1 ZINC001574740775 950234704 /nfs/dbraw/zinc/23/47/04/950234704.db2.gz GIJUXIAWWOIFHR-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COCC1CCCC1 ZINC001574740775 950234722 /nfs/dbraw/zinc/23/47/22/950234722.db2.gz GIJUXIAWWOIFHR-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573845569 950234869 /nfs/dbraw/zinc/23/48/69/950234869.db2.gz HHVCADFLRQAJOA-SFHVURJKSA-N -1 3 388.476 0.551 20 0 GCADHM CC(C)(C)CNC(=O)CN1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573845569 950234886 /nfs/dbraw/zinc/23/48/86/950234886.db2.gz HHVCADFLRQAJOA-SFHVURJKSA-N -1 3 388.476 0.551 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H](C)n1ccnc1 ZINC001574741189 950235951 /nfs/dbraw/zinc/23/59/51/950235951.db2.gz HQQVVHZDRIUSGZ-RYUDHWBXSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)NCC1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574497735 950236064 /nfs/dbraw/zinc/23/60/64/950236064.db2.gz BWOILUZOUDPBPB-FKTRJACZSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@H](CC(=O)NCC1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574497735 950236082 /nfs/dbraw/zinc/23/60/82/950236082.db2.gz BWOILUZOUDPBPB-FKTRJACZSA-N -1 3 391.411 0.154 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574740782 950236641 /nfs/dbraw/zinc/23/66/41/950236641.db2.gz GJMLMVSIANWTDB-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@@H]1CCCOC1 ZINC001574740782 950236658 /nfs/dbraw/zinc/23/66/58/950236658.db2.gz GJMLMVSIANWTDB-STQMWFEESA-N -1 3 389.460 0.978 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ncccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575587900 950241454 /nfs/dbraw/zinc/24/14/54/950241454.db2.gz OXQGMFVLOCAEDM-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CCCN2c2ncccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575587900 950241469 /nfs/dbraw/zinc/24/14/69/950241469.db2.gz OXQGMFVLOCAEDM-XIKOKIGWSA-N -1 3 384.444 0.263 20 0 GCADHM C[C@@H](CC(=O)NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)n1ccnc1 ZINC001574497925 950250251 /nfs/dbraw/zinc/25/02/51/950250251.db2.gz GLPUBOLAWSMWHL-HIFPTAJRSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CC(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)n1ccnc1 ZINC001574497925 950250268 /nfs/dbraw/zinc/25/02/68/950250268.db2.gz GLPUBOLAWSMWHL-HIFPTAJRSA-N -1 3 382.432 0.811 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1cc(Cl)cn1 ZINC001574741806 950252368 /nfs/dbraw/zinc/25/23/68/950252368.db2.gz CYWCMVNIPKOVGU-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1cc(Cl)cn1 ZINC001574741806 950252384 /nfs/dbraw/zinc/25/23/84/950252384.db2.gz CYWCMVNIPKOVGU-VIFPVBQESA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CC(=O)NCC1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1)NC(N)=O ZINC001574497961 950253000 /nfs/dbraw/zinc/25/30/00/950253000.db2.gz HGJAUCOXWLTAID-KPPDAEKUSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@H](CC(=O)NCC1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1)NC(N)=O ZINC001574497961 950253020 /nfs/dbraw/zinc/25/30/20/950253020.db2.gz HGJAUCOXWLTAID-KPPDAEKUSA-N -1 3 390.423 0.759 20 0 GCADHM C[C@@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C1CC1 ZINC001574497985 950255931 /nfs/dbraw/zinc/25/59/31/950255931.db2.gz HSUZXUHFJRMGMB-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C1CC1 ZINC001574497985 950255951 /nfs/dbraw/zinc/25/59/51/950255951.db2.gz HSUZXUHFJRMGMB-VOJFVSQTSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnsn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575902298 950256315 /nfs/dbraw/zinc/25/63/15/950256315.db2.gz ULQLOTLOUJSTLY-DTWKUNHWSA-N -1 3 387.429 0.469 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cnsn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575902298 950256324 /nfs/dbraw/zinc/25/63/24/950256324.db2.gz ULQLOTLOUJSTLY-DTWKUNHWSA-N -1 3 387.429 0.469 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001573849775 950258957 /nfs/dbraw/zinc/25/89/57/950258957.db2.gz BKDNRZHSEAHKSK-UHFFFAOYSA-N -1 3 387.853 0.363 20 0 GCADHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001573849775 950258970 /nfs/dbraw/zinc/25/89/70/950258970.db2.gz BKDNRZHSEAHKSK-UHFFFAOYSA-N -1 3 387.853 0.363 20 0 GCADHM CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)C1 ZINC001573849766 950261500 /nfs/dbraw/zinc/26/15/00/950261500.db2.gz BBVHAKHKHQPRPU-SECBINFHSA-N -1 3 388.388 0.892 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574742142 950269813 /nfs/dbraw/zinc/26/98/13/950269813.db2.gz MJALJVBGHJTPIU-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)[C@]12CCC[C@H]1OCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574742142 950269830 /nfs/dbraw/zinc/26/98/30/950269830.db2.gz MJALJVBGHJTPIU-FVMIAERFSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574742228 950272900 /nfs/dbraw/zinc/27/29/00/950272900.db2.gz IXGWVKNDESTAAJ-JTQLQIEISA-N -1 3 384.400 0.115 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccc(=O)[nH]c1 ZINC001574742228 950272920 /nfs/dbraw/zinc/27/29/20/950272920.db2.gz IXGWVKNDESTAAJ-JTQLQIEISA-N -1 3 384.400 0.115 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cccn1 ZINC001574498454 950275475 /nfs/dbraw/zinc/27/54/75/950275475.db2.gz NPNLNJLBTUAFIQ-VXGBXAGGSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@H](CC(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cccn1 ZINC001574498454 950275492 /nfs/dbraw/zinc/27/54/92/950275492.db2.gz NPNLNJLBTUAFIQ-VXGBXAGGSA-N -1 3 388.407 0.743 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC[C@@H]1CCCO1 ZINC001574742316 950277467 /nfs/dbraw/zinc/27/74/67/950277467.db2.gz OHBMXWSDTQAFHD-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC[C@@H]1CCCO1 ZINC001574742316 950277482 /nfs/dbraw/zinc/27/74/82/950277482.db2.gz OHBMXWSDTQAFHD-AAEUAGOBSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCc1ccn(C)n1 ZINC001574742351 950282380 /nfs/dbraw/zinc/28/23/80/950282380.db2.gz KDYVLYDRGYIHDG-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCc1ccn(C)n1 ZINC001574742351 950282397 /nfs/dbraw/zinc/28/23/97/950282397.db2.gz KDYVLYDRGYIHDG-NSHDSACASA-N -1 3 385.432 0.138 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574742378 950282428 /nfs/dbraw/zinc/28/24/28/950282428.db2.gz KKGAIKDNFVRVOO-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001574742378 950282441 /nfs/dbraw/zinc/28/24/41/950282441.db2.gz KKGAIKDNFVRVOO-MHVRPGDESA-N -1 3 385.428 0.195 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCNC1=O ZINC001574158513 950282699 /nfs/dbraw/zinc/28/26/99/950282699.db2.gz BVZDBSSLMADJDF-QWHCGFSZSA-N -1 3 386.460 0.731 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCNC1=O ZINC001574158513 950282724 /nfs/dbraw/zinc/28/27/24/950282724.db2.gz BVZDBSSLMADJDF-QWHCGFSZSA-N -1 3 386.460 0.731 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001574498671 950284214 /nfs/dbraw/zinc/28/42/14/950284214.db2.gz PFORLLCZLKPRIZ-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCCO1 ZINC001574498671 950284239 /nfs/dbraw/zinc/28/42/39/950284239.db2.gz PFORLLCZLKPRIZ-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574987261 950286314 /nfs/dbraw/zinc/28/63/14/950286314.db2.gz BKZBNBQOPZEYRI-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001574987261 950286332 /nfs/dbraw/zinc/28/63/32/950286332.db2.gz BKZBNBQOPZEYRI-YVLXSGLVSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COc1ccsc1 ZINC001574987255 950288164 /nfs/dbraw/zinc/28/81/64/950288164.db2.gz BFCKEAGCQFGWIN-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COc1ccsc1 ZINC001574987255 950288181 /nfs/dbraw/zinc/28/81/81/950288181.db2.gz BFCKEAGCQFGWIN-JTQLQIEISA-N -1 3 389.441 0.912 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573851203 950290311 /nfs/dbraw/zinc/29/03/11/950290311.db2.gz USFISVLEJDNPGN-LLVKDONJSA-N -1 3 389.464 0.097 20 0 GCADHM CC(C)(C)NC(=O)NCCN1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573851203 950290330 /nfs/dbraw/zinc/29/03/30/950290330.db2.gz USFISVLEJDNPGN-LLVKDONJSA-N -1 3 389.464 0.097 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C(C)(C)c1c[nH]cn1 ZINC001574742495 950292186 /nfs/dbraw/zinc/29/21/86/950292186.db2.gz LXCJOSPAQFYJFB-SNVBAGLBSA-N -1 3 385.432 0.472 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)c1cnon1 ZINC001576193250 950293377 /nfs/dbraw/zinc/29/33/77/950293377.db2.gz SYOURKFMXVMMSY-VHSXEESVSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)c1cnon1 ZINC001576193250 950293393 /nfs/dbraw/zinc/29/33/93/950293393.db2.gz SYOURKFMXVMMSY-VHSXEESVSA-N -1 3 385.388 0.106 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574499093 950294085 /nfs/dbraw/zinc/29/40/85/950294085.db2.gz RYNZRBWPZOWMJB-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCCO1 ZINC001574499093 950294098 /nfs/dbraw/zinc/29/40/98/950294098.db2.gz RYNZRBWPZOWMJB-RISCZKNCSA-N -1 3 387.444 0.779 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cncs1 ZINC001574742610 950297501 /nfs/dbraw/zinc/29/75/01/950297501.db2.gz PXOCGSGDKHHOGK-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cncs1 ZINC001574742610 950297519 /nfs/dbraw/zinc/29/75/19/950297519.db2.gz PXOCGSGDKHHOGK-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1ncc(F)cc1F ZINC001574987658 950299885 /nfs/dbraw/zinc/29/98/85/950299885.db2.gz GUDPHKOITWKYKR-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)CCOCC1 ZINC001575592846 950299970 /nfs/dbraw/zinc/29/99/70/950299970.db2.gz CSJOVTYZYMLLHY-CQSZACIVSA-N -1 3 387.444 0.400 20 0 GCADHM CC1(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)CCOCC1 ZINC001575592846 950299991 /nfs/dbraw/zinc/29/99/91/950299991.db2.gz CSJOVTYZYMLLHY-CQSZACIVSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1ncc(F)cc1F ZINC001574987658 950299904 /nfs/dbraw/zinc/29/99/04/950299904.db2.gz GUDPHKOITWKYKR-QMMMGPOBSA-N -1 3 390.354 0.759 20 0 GCADHM CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(c2ncncc2-c2nnn[n-]2)C1 ZINC001573852079 950301407 /nfs/dbraw/zinc/30/14/07/950301407.db2.gz CJHQTDJGLPOAFO-LBPRGKRZSA-N -1 3 390.448 0.855 20 0 GCADHM CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2cncc(-c3nnn[n-]3)c2)C1 ZINC001573852344 950301484 /nfs/dbraw/zinc/30/14/84/950301484.db2.gz FQTGIYCFQCEVQF-UHFFFAOYSA-N -1 3 389.416 0.514 20 0 GCADHM CC(C)(C)OC(=O)N1CC(OCC(=O)NCc2cncc(-c3nn[n-]n3)c2)C1 ZINC001573852344 950301503 /nfs/dbraw/zinc/30/15/03/950301503.db2.gz FQTGIYCFQCEVQF-UHFFFAOYSA-N -1 3 389.416 0.514 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001574987831 950301994 /nfs/dbraw/zinc/30/19/94/950301994.db2.gz IBWLKCWRQDCAPF-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001574987831 950302016 /nfs/dbraw/zinc/30/20/16/950302016.db2.gz IBWLKCWRQDCAPF-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1ccncn1 ZINC001574987816 950303956 /nfs/dbraw/zinc/30/39/56/950303956.db2.gz HSCMDCZKGHWVHR-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1ccncn1 ZINC001574987816 950303977 /nfs/dbraw/zinc/30/39/77/950303977.db2.gz HSCMDCZKGHWVHR-LLVKDONJSA-N -1 3 383.416 0.194 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@H]1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001576193656 950305689 /nfs/dbraw/zinc/30/56/89/950305689.db2.gz VEAFIVIZGGTMER-GXSJLCMTSA-N -1 3 387.379 0.994 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnon2)C[C@H]1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001576193656 950305714 /nfs/dbraw/zinc/30/57/14/950305714.db2.gz VEAFIVIZGGTMER-GXSJLCMTSA-N -1 3 387.379 0.994 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CCCOC1 ZINC001574742770 950307287 /nfs/dbraw/zinc/30/72/87/950307287.db2.gz PZAADIUBUDZJFH-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CCCOC1 ZINC001574742770 950307307 /nfs/dbraw/zinc/30/73/07/950307307.db2.gz PZAADIUBUDZJFH-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)N1CCCC[C@@H]1C ZINC001574987992 950307543 /nfs/dbraw/zinc/30/75/43/950307543.db2.gz KCTUTOQETXCOPV-STQMWFEESA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)N1CCCC[C@@H]1C ZINC001574987992 950307563 /nfs/dbraw/zinc/30/75/63/950307563.db2.gz KCTUTOQETXCOPV-STQMWFEESA-N -1 3 388.476 0.646 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccon2)C[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576193721 950310615 /nfs/dbraw/zinc/31/06/15/950310615.db2.gz VQFRRCMAUMMCQX-MNOVXSKESA-N -1 3 384.400 0.711 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccon2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576193721 950310634 /nfs/dbraw/zinc/31/06/34/950310634.db2.gz VQFRRCMAUMMCQX-MNOVXSKESA-N -1 3 384.400 0.711 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COc1ccsc1 ZINC001574743098 950315051 /nfs/dbraw/zinc/31/50/51/950315051.db2.gz RLTJGKHGSBHDMZ-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COc1ccsc1 ZINC001574743098 950315068 /nfs/dbraw/zinc/31/50/68/950315068.db2.gz RLTJGKHGSBHDMZ-SNVBAGLBSA-N -1 3 389.441 0.912 20 0 GCADHM C[C@@]1(C(=O)NCC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)CCC(=O)NC1 ZINC001575593499 950315797 /nfs/dbraw/zinc/31/57/97/950315797.db2.gz GMTZBSUYBJUQBA-QGZVFWFLSA-N -1 3 389.485 0.393 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(c1cc(-c3nnn[n-]3)cnn1)CCO2 ZINC001573853179 950318181 /nfs/dbraw/zinc/31/81/81/950318181.db2.gz MZHVXNNNRGXHIW-KRWDZBQOSA-N -1 3 388.432 0.873 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(c1cc(-c3nn[n-]n3)cnn1)CCO2 ZINC001573853179 950318200 /nfs/dbraw/zinc/31/82/00/950318200.db2.gz MZHVXNNNRGXHIW-KRWDZBQOSA-N -1 3 388.432 0.873 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001574988197 950319250 /nfs/dbraw/zinc/31/92/50/950319250.db2.gz OIKUENUABJAYLO-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001574988197 950319277 /nfs/dbraw/zinc/31/92/77/950319277.db2.gz OIKUENUABJAYLO-SECBINFHSA-N -1 3 391.823 0.322 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cnccc2-c2nnn[n-]2)C1 ZINC001573853206 950324164 /nfs/dbraw/zinc/32/41/64/950324164.db2.gz OCOGRRYMYRQOAA-KRWDZBQOSA-N -1 3 389.416 0.363 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)c2cnccc2-c2nn[n-]n2)C1 ZINC001573853206 950324184 /nfs/dbraw/zinc/32/41/84/950324184.db2.gz OCOGRRYMYRQOAA-KRWDZBQOSA-N -1 3 389.416 0.363 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCC1CCOCC1 ZINC001574743378 950324512 /nfs/dbraw/zinc/32/45/12/950324512.db2.gz SGRPKMSSMKUWMR-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCC1CCOCC1 ZINC001574743378 950324534 /nfs/dbraw/zinc/32/45/34/950324534.db2.gz SGRPKMSSMKUWMR-GFCCVEGCSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccn1 ZINC001574501266 950325565 /nfs/dbraw/zinc/32/55/65/950325565.db2.gz CJLXOIPSFKFHSW-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@@H](CC(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccn1 ZINC001574501266 950325586 /nfs/dbraw/zinc/32/55/86/950325586.db2.gz CJLXOIPSFKFHSW-NSHDSACASA-N -1 3 383.416 0.231 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574743461 950328893 /nfs/dbraw/zinc/32/88/93/950328893.db2.gz UASALPBWYKUGHN-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574743461 950328911 /nfs/dbraw/zinc/32/89/11/950328911.db2.gz UASALPBWYKUGHN-NWDGAFQWSA-N -1 3 385.432 0.619 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](CO)C1 ZINC001573853545 950329064 /nfs/dbraw/zinc/32/90/64/950329064.db2.gz RLRKGMHJFKGAPO-LLVKDONJSA-N -1 3 377.405 0.249 20 0 GCADHM CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](CO)C1 ZINC001573853545 950329085 /nfs/dbraw/zinc/32/90/85/950329085.db2.gz RLRKGMHJFKGAPO-LLVKDONJSA-N -1 3 377.405 0.249 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]nc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574743671 950331582 /nfs/dbraw/zinc/33/15/82/950331582.db2.gz VAGUCDHJSKXIHC-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]nc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574743671 950331605 /nfs/dbraw/zinc/33/16/05/950331605.db2.gz VAGUCDHJSKXIHC-SECBINFHSA-N -1 3 383.416 0.686 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H](O)C1 ZINC001573853748 950333288 /nfs/dbraw/zinc/33/32/88/950333288.db2.gz VCLICQCRRRIWHQ-KBPBESRZSA-N -1 3 388.428 0.967 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H](O)C1 ZINC001573853748 950333309 /nfs/dbraw/zinc/33/33/09/950333309.db2.gz VCLICQCRRRIWHQ-KBPBESRZSA-N -1 3 388.428 0.967 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001573853988 950335079 /nfs/dbraw/zinc/33/50/79/950335079.db2.gz VZPODKDFFSLHOE-NSHDSACASA-N -1 3 395.445 0.549 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001573853988 950335096 /nfs/dbraw/zinc/33/50/96/950335096.db2.gz VZPODKDFFSLHOE-NSHDSACASA-N -1 3 395.445 0.549 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)CCCOC1 ZINC001575594620 950335740 /nfs/dbraw/zinc/33/57/40/950335740.db2.gz KYFZYRWPVWRDIH-KSSFIOAISA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)CCCOC1 ZINC001575594620 950335759 /nfs/dbraw/zinc/33/57/59/950335759.db2.gz KYFZYRWPVWRDIH-KSSFIOAISA-N -1 3 387.444 0.400 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576194300 950335983 /nfs/dbraw/zinc/33/59/83/950335983.db2.gz YUMNHSSJCKKYGA-WCQYABFASA-N -1 3 382.432 0.601 20 0 GCADHM C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576194300 950335995 /nfs/dbraw/zinc/33/59/95/950335995.db2.gz YUMNHSSJCKKYGA-WCQYABFASA-N -1 3 382.432 0.601 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cncs1 ZINC001574988589 950336796 /nfs/dbraw/zinc/33/67/96/950336796.db2.gz SMLAOTJFOFSAIO-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cncs1 ZINC001574988589 950336819 /nfs/dbraw/zinc/33/68/19/950336819.db2.gz SMLAOTJFOFSAIO-JTQLQIEISA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1ccncc1 ZINC001574743767 950338191 /nfs/dbraw/zinc/33/81/91/950338191.db2.gz WBJCBCPTPKDKJX-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1ccncc1 ZINC001574743767 950338213 /nfs/dbraw/zinc/33/82/13/950338213.db2.gz WBJCBCPTPKDKJX-GFCCVEGCSA-N -1 3 382.428 0.799 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573854253 950340923 /nfs/dbraw/zinc/34/09/23/950340923.db2.gz XXWGSFDYHHRQHN-KGLIPLIRSA-N -1 3 388.428 0.967 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573854253 950340949 /nfs/dbraw/zinc/34/09/49/950340949.db2.gz XXWGSFDYHHRQHN-KGLIPLIRSA-N -1 3 388.428 0.967 20 0 GCADHM CC(C)c1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[nH]n1 ZINC001574743995 950340978 /nfs/dbraw/zinc/34/09/78/950340978.db2.gz VZNWDGFLNMKBID-JTQLQIEISA-N -1 3 385.432 0.932 20 0 GCADHM CC(C)c1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]n1 ZINC001574743995 950340999 /nfs/dbraw/zinc/34/09/99/950340999.db2.gz VZNWDGFLNMKBID-JTQLQIEISA-N -1 3 385.432 0.932 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576194362 950341481 /nfs/dbraw/zinc/34/14/81/950341481.db2.gz ZMEMOPKEAYKFRZ-GXTWGEPZSA-N -1 3 382.432 0.450 20 0 GCADHM C[C@H]1CCN(C(=O)Cn2cncn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576194362 950341503 /nfs/dbraw/zinc/34/15/03/950341503.db2.gz ZMEMOPKEAYKFRZ-GXTWGEPZSA-N -1 3 382.432 0.450 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573854264 950342379 /nfs/dbraw/zinc/34/23/79/950342379.db2.gz YIUKZTTYQDPINR-MRXNPFEDSA-N -1 3 377.405 0.297 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573854264 950342395 /nfs/dbraw/zinc/34/23/95/950342395.db2.gz YIUKZTTYQDPINR-MRXNPFEDSA-N -1 3 377.405 0.297 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576194359 950342618 /nfs/dbraw/zinc/34/26/18/950342618.db2.gz ZJEQWPDLZVJNJY-GXFFZTMASA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNC(=O)c1cn[nH]c1 ZINC001576194359 950342636 /nfs/dbraw/zinc/34/26/36/950342636.db2.gz ZJEQWPDLZVJNJY-GXFFZTMASA-N -1 3 383.416 0.446 20 0 GCADHM C[C@H](CC(=O)NCCC1(CNc2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574501697 950343424 /nfs/dbraw/zinc/34/34/24/950343424.db2.gz GMSWWEFLWBVUHS-LLVKDONJSA-N -1 3 387.448 0.407 20 0 GCADHM C[C@H](CC(=O)NCCC1(CNc2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574501697 950343443 /nfs/dbraw/zinc/34/34/43/950343443.db2.gz GMSWWEFLWBVUHS-LLVKDONJSA-N -1 3 387.448 0.407 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573854721 950347516 /nfs/dbraw/zinc/34/75/16/950347516.db2.gz DHEXOXMUGWHIHA-BETUJISGSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573854721 950347537 /nfs/dbraw/zinc/34/75/37/950347537.db2.gz DHEXOXMUGWHIHA-BETUJISGSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574160886 950347679 /nfs/dbraw/zinc/34/76/79/950347679.db2.gz QOQHIIADNFZJDQ-UTUOFQBUSA-N -1 3 390.423 0.465 20 0 GCADHM CC(C)C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574160886 950347701 /nfs/dbraw/zinc/34/77/01/950347701.db2.gz QOQHIIADNFZJDQ-UTUOFQBUSA-N -1 3 390.423 0.465 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc(Cl)no1 ZINC001574988797 950347710 /nfs/dbraw/zinc/34/77/10/950347710.db2.gz VDAGBOOKDSBUSZ-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc(Cl)no1 ZINC001574988797 950347723 /nfs/dbraw/zinc/34/77/23/950347723.db2.gz VDAGBOOKDSBUSZ-ZETCQYMHSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@@H](CC(=O)NCC1CCN(c2ncccc2-c2nnn[n-]2)CC1)NC(N)=O ZINC001574501859 950348451 /nfs/dbraw/zinc/34/84/51/950348451.db2.gz GZIWHEQBOOBOEI-NSHDSACASA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@H](CC(=O)NCC1CCN(c2ncccc2-c2nn[n-]n2)CC1)NC(N)=O ZINC001574501859 950348479 /nfs/dbraw/zinc/34/84/79/950348479.db2.gz GZIWHEQBOOBOEI-NSHDSACASA-N -1 3 387.448 0.041 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574160861 950348967 /nfs/dbraw/zinc/34/89/67/950348967.db2.gz PRJQTAYZCHHKGC-QWHCGFSZSA-N -1 3 386.460 0.873 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574160861 950348981 /nfs/dbraw/zinc/34/89/81/950348981.db2.gz PRJQTAYZCHHKGC-QWHCGFSZSA-N -1 3 386.460 0.873 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc(Cl)no1 ZINC001574988796 950350043 /nfs/dbraw/zinc/35/00/43/950350043.db2.gz VDAGBOOKDSBUSZ-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc(Cl)no1 ZINC001574988796 950350057 /nfs/dbraw/zinc/35/00/57/950350057.db2.gz VDAGBOOKDSBUSZ-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001574988805 950351274 /nfs/dbraw/zinc/35/12/74/950351274.db2.gz VKECQGYJXYFLOF-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC[C@H]1CCCO1 ZINC001574988805 950351294 /nfs/dbraw/zinc/35/12/94/950351294.db2.gz VKECQGYJXYFLOF-DGCLKSJQSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cnoc1C1CC1 ZINC001574988887 950351395 /nfs/dbraw/zinc/35/13/95/950351395.db2.gz WNRTYNREUOWDKZ-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cnoc1C1CC1 ZINC001574988887 950351406 /nfs/dbraw/zinc/35/14/06/950351406.db2.gz WNRTYNREUOWDKZ-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1=O ZINC001573854915 950353742 /nfs/dbraw/zinc/35/37/42/950353742.db2.gz HPQFAGGBXSKLFA-JSGCOSHPSA-N -1 3 386.460 0.398 20 0 GCADHM CC(C)(C)N1CC[C@H](N2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1=O ZINC001573854915 950353765 /nfs/dbraw/zinc/35/37/65/950353765.db2.gz HPQFAGGBXSKLFA-JSGCOSHPSA-N -1 3 386.460 0.398 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001574988949 950354265 /nfs/dbraw/zinc/35/42/65/950354265.db2.gz WTBQJWJYZPNWRH-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CC12CCOCC2 ZINC001574988949 950354285 /nfs/dbraw/zinc/35/42/85/950354285.db2.gz WTBQJWJYZPNWRH-AAEUAGOBSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCCn1ccnc1 ZINC001574989054 950354982 /nfs/dbraw/zinc/35/49/82/950354982.db2.gz XMSJYIGJUKNNBU-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCCn1ccnc1 ZINC001574989054 950354996 /nfs/dbraw/zinc/35/49/96/950354996.db2.gz XMSJYIGJUKNNBU-LBPRGKRZSA-N -1 3 385.432 0.448 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001573855189 950356493 /nfs/dbraw/zinc/35/64/93/950356493.db2.gz LBRXSNNKDJKXEN-YJNKXOJESA-N -1 3 385.472 1.000 20 0 GCADHM CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001573855189 950356519 /nfs/dbraw/zinc/35/65/19/950356519.db2.gz LBRXSNNKDJKXEN-YJNKXOJESA-N -1 3 385.472 1.000 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C1CCC(O)CC1 ZINC001574988961 950356467 /nfs/dbraw/zinc/35/64/67/950356467.db2.gz WUQMDLTZCRXIBK-XSRFYTQQSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C1CCC(O)CC1 ZINC001574988961 950356490 /nfs/dbraw/zinc/35/64/90/950356490.db2.gz WUQMDLTZCRXIBK-XSRFYTQQSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccnn1C ZINC001574744538 950358539 /nfs/dbraw/zinc/35/85/39/950358539.db2.gz ZWUPWLRSNZQIIP-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccnn1C ZINC001574744538 950358561 /nfs/dbraw/zinc/35/85/61/950358561.db2.gz ZWUPWLRSNZQIIP-WDEREUQCSA-N -1 3 385.432 0.309 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574744607 950359314 /nfs/dbraw/zinc/35/93/14/950359314.db2.gz ZWAVLRDCYVXTSU-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1c(Cl)cnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574744607 950359332 /nfs/dbraw/zinc/35/93/32/950359332.db2.gz ZWAVLRDCYVXTSU-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574161465 950359462 /nfs/dbraw/zinc/35/94/62/950359462.db2.gz UWRAMUARVIZMLQ-HIFRSBDPSA-N -1 3 388.476 0.535 20 0 GCADHM CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574161465 950359487 /nfs/dbraw/zinc/35/94/87/950359487.db2.gz UWRAMUARVIZMLQ-HIFRSBDPSA-N -1 3 388.476 0.535 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573855245 950361263 /nfs/dbraw/zinc/36/12/63/950361263.db2.gz MVYKWCFLJFLESH-ZDUSSCGKSA-N -1 3 388.476 0.550 20 0 GCADHM CC(C)(C)NC(=O)CN1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573855245 950361278 /nfs/dbraw/zinc/36/12/78/950361278.db2.gz MVYKWCFLJFLESH-ZDUSSCGKSA-N -1 3 388.476 0.550 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574502226 950362934 /nfs/dbraw/zinc/36/29/34/950362934.db2.gz KQLZGSDEZPUJNJ-OLZOCXBDSA-N -1 3 382.432 0.590 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001574989441 950362997 /nfs/dbraw/zinc/36/29/97/950362997.db2.gz ZGYNCGHHUWDVGO-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001574989441 950363018 /nfs/dbraw/zinc/36/30/18/950363018.db2.gz ZGYNCGHHUWDVGO-SNVBAGLBSA-N -1 3 382.428 0.902 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001573855265 950363278 /nfs/dbraw/zinc/36/32/78/950363278.db2.gz NXIPMGBPZNLDCC-LBPRGKRZSA-N -1 3 379.446 0.330 20 0 GCADHM CC(C)(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001573855265 950363296 /nfs/dbraw/zinc/36/32/96/950363296.db2.gz NXIPMGBPZNLDCC-LBPRGKRZSA-N -1 3 379.446 0.330 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C2CC2)no1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574745025 950370535 /nfs/dbraw/zinc/37/05/35/950370535.db2.gz FFZFRERELCFQNM-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(C2CC2)no1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574745025 950370542 /nfs/dbraw/zinc/37/05/42/950370542.db2.gz FFZFRERELCFQNM-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574744990 950373639 /nfs/dbraw/zinc/37/36/39/950373639.db2.gz DRUFKPPAWYYJSJ-VIFPVBQESA-N -1 3 383.416 0.686 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574502374 950376395 /nfs/dbraw/zinc/37/63/95/950376395.db2.gz MMPNDBZWSINQEU-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574502374 950376408 /nfs/dbraw/zinc/37/64/08/950376408.db2.gz MMPNDBZWSINQEU-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@]1(C(=O)NC[C@@H]2COCCN2Cc2ccc(-c3nnn[n-]3)s2)CCOC1 ZINC001575596514 950377452 /nfs/dbraw/zinc/37/74/52/950377452.db2.gz TUBAGBXBWLQNHF-PXAZEXFGSA-N -1 3 392.485 0.672 20 0 GCADHM CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCc1c[nH]cn1 ZINC001574162156 950378664 /nfs/dbraw/zinc/37/86/64/950378664.db2.gz ZXIPCGNWOKQHKS-CYBMUJFWSA-N -1 3 384.448 0.955 20 0 GCADHM CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCc1c[nH]cn1 ZINC001574162156 950378688 /nfs/dbraw/zinc/37/86/88/950378688.db2.gz ZXIPCGNWOKQHKS-CYBMUJFWSA-N -1 3 384.448 0.955 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1ncnn1CCF ZINC001574990641 950378726 /nfs/dbraw/zinc/37/87/26/950378726.db2.gz DPHXMBWISCQIIP-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1ncnn1CCF ZINC001574990641 950378750 /nfs/dbraw/zinc/37/87/50/950378750.db2.gz DPHXMBWISCQIIP-JTQLQIEISA-N -1 3 376.400 0.006 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CCNC(=O)C1 ZINC001575596629 950385178 /nfs/dbraw/zinc/38/51/78/950385178.db2.gz GXNWUTJCAKAHNW-QUJCMNEKSA-N -1 3 398.471 0.875 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CCNC(=O)C1 ZINC001575596629 950385203 /nfs/dbraw/zinc/38/52/03/950385203.db2.gz GXNWUTJCAKAHNW-QUJCMNEKSA-N -1 3 398.471 0.875 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574502506 950386232 /nfs/dbraw/zinc/38/62/32/950386232.db2.gz OKOBOEKFZFMJPK-YPMHNXCESA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574502506 950386252 /nfs/dbraw/zinc/38/62/52/950386252.db2.gz OKOBOEKFZFMJPK-YPMHNXCESA-N -1 3 387.448 0.184 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCc1ccccn1 ZINC001574991139 950389794 /nfs/dbraw/zinc/38/97/94/950389794.db2.gz HJITVAAMXNCMMY-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCc1ccccn1 ZINC001574991139 950389814 /nfs/dbraw/zinc/38/98/14/950389814.db2.gz HJITVAAMXNCMMY-GFCCVEGCSA-N -1 3 382.428 0.847 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)CCCOC1 ZINC001575596992 950391208 /nfs/dbraw/zinc/39/12/08/950391208.db2.gz WPWIWYJUHZQQLO-UGSOOPFHSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@]1(C(=O)NC[C@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)CCCOC1 ZINC001575596992 950391231 /nfs/dbraw/zinc/39/12/31/950391231.db2.gz WPWIWYJUHZQQLO-UGSOOPFHSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCC(=O)NC1 ZINC001575596954 950393713 /nfs/dbraw/zinc/39/37/13/950393713.db2.gz KBMKLUKAMDMYQB-SUFBMKPHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCC(=O)NC1 ZINC001575596954 950393719 /nfs/dbraw/zinc/39/37/19/950393719.db2.gz KBMKLUKAMDMYQB-SUFBMKPHSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)Cc1nnn(C(C)(C)C)n1 ZINC001574991203 950395562 /nfs/dbraw/zinc/39/55/62/950395562.db2.gz IQWWIEBGDZDYNS-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)Cc1nnn(C(C)(C)C)n1 ZINC001574991203 950395578 /nfs/dbraw/zinc/39/55/78/950395578.db2.gz IQWWIEBGDZDYNS-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc2n1CCC2 ZINC001574746297 950395762 /nfs/dbraw/zinc/39/57/62/950395762.db2.gz NHIGTEWQKWAAEU-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc2n1CCC2 ZINC001574746297 950395782 /nfs/dbraw/zinc/39/57/82/950395782.db2.gz NHIGTEWQKWAAEU-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001575597230 950402433 /nfs/dbraw/zinc/40/24/33/950402433.db2.gz ZFYGXULGMDKCOE-RDTXWAMCSA-N -1 3 387.444 0.400 20 0 GCADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001575597230 950402448 /nfs/dbraw/zinc/40/24/48/950402448.db2.gz ZFYGXULGMDKCOE-RDTXWAMCSA-N -1 3 387.444 0.400 20 0 GCADHM CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)n2ncc(-c3nnn[n-]3)c2N)C1 ZINC001573857122 950403564 /nfs/dbraw/zinc/40/35/64/950403564.db2.gz OPHGAGMAPPGMTC-HNNXBMFYSA-N -1 3 378.393 0.312 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574747548 950407536 /nfs/dbraw/zinc/40/75/36/950407536.db2.gz UCBDSFHLIDTASF-JTQLQIEISA-N -1 3 386.420 0.279 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc(CN(C)C)on1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574747548 950407554 /nfs/dbraw/zinc/40/75/54/950407554.db2.gz UCBDSFHLIDTASF-JTQLQIEISA-N -1 3 386.420 0.279 20 0 GCADHM C[C@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575910127 950412604 /nfs/dbraw/zinc/41/26/04/950412604.db2.gz KAZVEVGZSBFYOC-GXSJLCMTSA-N -1 3 386.420 0.037 20 0 GCADHM C[C@H]1[C@H](NCc2nc(N(C)C)no2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575910127 950412620 /nfs/dbraw/zinc/41/26/20/950412620.db2.gz KAZVEVGZSBFYOC-GXSJLCMTSA-N -1 3 386.420 0.037 20 0 GCADHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2nnccc2-c2nnn[n-]2)C1 ZINC001573860035 950413034 /nfs/dbraw/zinc/41/30/34/950413034.db2.gz AWIMEHAFLWNPRW-INIZCTEOSA-N -1 3 376.421 0.513 20 0 GCADHM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(c2nnccc2-c2nn[n-]n2)C1 ZINC001573860035 950413052 /nfs/dbraw/zinc/41/30/52/950413052.db2.gz AWIMEHAFLWNPRW-INIZCTEOSA-N -1 3 376.421 0.513 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nnn[n-]2)c(F)c1)NC(N)=O ZINC001574503470 950413707 /nfs/dbraw/zinc/41/37/07/950413707.db2.gz WYMBWJKNJIWHMJ-JQWIXIFHSA-N -1 3 390.423 0.143 20 0 GCADHM C[C@@H](CC(=O)NC[C@@H]1CCN1Cc1ccc(-c2nn[n-]n2)c(F)c1)NC(N)=O ZINC001574503470 950413720 /nfs/dbraw/zinc/41/37/20/950413720.db2.gz WYMBWJKNJIWHMJ-JQWIXIFHSA-N -1 3 390.423 0.143 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001573860026 950413866 /nfs/dbraw/zinc/41/38/66/950413866.db2.gz AJPJXRDOZBDGJQ-ZDUSSCGKSA-N -1 3 376.417 0.759 20 0 GCADHM CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001573860026 950413872 /nfs/dbraw/zinc/41/38/72/950413872.db2.gz AJPJXRDOZBDGJQ-ZDUSSCGKSA-N -1 3 376.417 0.759 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1Cc2ccncc2C1 ZINC001574991680 950416336 /nfs/dbraw/zinc/41/63/36/950416336.db2.gz QYARPCYTQJJJNI-PWSUYJOCSA-N -1 3 380.412 0.239 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1Cc2ccncc2C1 ZINC001574991680 950416345 /nfs/dbraw/zinc/41/63/45/950416345.db2.gz QYARPCYTQJJJNI-PWSUYJOCSA-N -1 3 380.412 0.239 20 0 GCADHM CC(C)CC1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001574163156 950416991 /nfs/dbraw/zinc/41/69/91/950416991.db2.gz QFKKGNRCIQMTCY-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)CC1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001574163156 950417001 /nfs/dbraw/zinc/41/70/01/950417001.db2.gz QFKKGNRCIQMTCY-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nn(C)cc1Cl ZINC001574747806 950418502 /nfs/dbraw/zinc/41/85/02/950418502.db2.gz XZGWDZBEJCNVNO-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nn(C)cc1Cl ZINC001574747806 950418518 /nfs/dbraw/zinc/41/85/18/950418518.db2.gz XZGWDZBEJCNVNO-SECBINFHSA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C2)CCC(=O)NC1 ZINC001575597854 950419323 /nfs/dbraw/zinc/41/93/23/950419323.db2.gz XWXIPFSQMZRALD-FTLABTOESA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C2)CCC(=O)NC1 ZINC001575597854 950419335 /nfs/dbraw/zinc/41/93/35/950419335.db2.gz XWXIPFSQMZRALD-FTLABTOESA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574503991 950421950 /nfs/dbraw/zinc/42/19/50/950421950.db2.gz ZEHLLVQIECBMKZ-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@H](CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574503991 950421957 /nfs/dbraw/zinc/42/19/57/950421957.db2.gz ZEHLLVQIECBMKZ-NEPJUHHUSA-N -1 3 387.448 0.041 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCOC1 ZINC001575597867 950423874 /nfs/dbraw/zinc/42/38/74/950423874.db2.gz YHGVDVCZRRRNMJ-SEDUGSJDSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCOC1 ZINC001575597867 950423891 /nfs/dbraw/zinc/42/38/91/950423891.db2.gz YHGVDVCZRRRNMJ-SEDUGSJDSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCOCC1 ZINC001574750456 950427318 /nfs/dbraw/zinc/42/73/18/950427318.db2.gz ARGWEGAUJXJVNQ-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCOCC1 ZINC001574750456 950427334 /nfs/dbraw/zinc/42/73/34/950427334.db2.gz ARGWEGAUJXJVNQ-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575910723 950430538 /nfs/dbraw/zinc/43/05/38/950430538.db2.gz BHENLTWMHJFLTE-GXTWGEPZSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)Cn1ccccc1=O ZINC001575910723 950430551 /nfs/dbraw/zinc/43/05/51/950430551.db2.gz BHENLTWMHJFLTE-GXTWGEPZSA-N -1 3 380.412 0.525 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@H]1CCOC1 ZINC001574750554 950430748 /nfs/dbraw/zinc/43/07/48/950430748.db2.gz CRQSESSOWYGDLW-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@H]1CCOC1 ZINC001574750554 950430757 /nfs/dbraw/zinc/43/07/57/950430757.db2.gz CRQSESSOWYGDLW-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCOc1ccccc1 ZINC001574992042 950433241 /nfs/dbraw/zinc/43/32/41/950433241.db2.gz VUDJYDPMGOOMLB-GFCCVEGCSA-N -1 3 383.412 0.898 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCOc1ccccc1 ZINC001574992042 950433252 /nfs/dbraw/zinc/43/32/52/950433252.db2.gz VUDJYDPMGOOMLB-GFCCVEGCSA-N -1 3 383.412 0.898 20 0 GCADHM CC(C)(C)OC(=O)NOCC(=O)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573861263 950439949 /nfs/dbraw/zinc/43/99/49/950439949.db2.gz VTPYSYUICCVPBY-UHFFFAOYSA-N -1 3 389.416 0.946 20 0 GCADHM CC(C)(C)OC(=O)NOCC(=O)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573861263 950439967 /nfs/dbraw/zinc/43/99/67/950439967.db2.gz VTPYSYUICCVPBY-UHFFFAOYSA-N -1 3 389.416 0.946 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COc1ccccc1F ZINC001574992222 950441725 /nfs/dbraw/zinc/44/17/25/950441725.db2.gz YYFXPRQDIDPQFH-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COc1ccccc1F ZINC001574992222 950441737 /nfs/dbraw/zinc/44/17/37/950441737.db2.gz YYFXPRQDIDPQFH-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575604537 950445164 /nfs/dbraw/zinc/44/51/64/950445164.db2.gz BOWPCQVDCWKPLC-AVUWZVCYSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575604537 950445181 /nfs/dbraw/zinc/44/51/81/950445181.db2.gz BOWPCQVDCWKPLC-AVUWZVCYSA-N -1 3 385.428 0.483 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cncnc1 ZINC001574751006 950447723 /nfs/dbraw/zinc/44/77/23/950447723.db2.gz KBUSCNRZXLVLON-WDEREUQCSA-N -1 3 383.416 0.365 20 0 GCADHM C[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cncnc1 ZINC001574751006 950447730 /nfs/dbraw/zinc/44/77/30/950447730.db2.gz KBUSCNRZXLVLON-WDEREUQCSA-N -1 3 383.416 0.365 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573861614 950449667 /nfs/dbraw/zinc/44/96/67/950449667.db2.gz DKWYOVOPPVGPKA-PWSUYJOCSA-N -1 3 375.389 0.882 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573861614 950449683 /nfs/dbraw/zinc/44/96/83/950449683.db2.gz DKWYOVOPPVGPKA-PWSUYJOCSA-N -1 3 375.389 0.882 20 0 GCADHM C[C@H](CC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574507111 950450953 /nfs/dbraw/zinc/45/09/53/950450953.db2.gz CWQAEAYUWDHOLK-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccn2c1CCCC2 ZINC001574992507 950451271 /nfs/dbraw/zinc/45/12/71/950451271.db2.gz DWKOPJIKTDUARC-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccn2c1CCCC2 ZINC001574992507 950451282 /nfs/dbraw/zinc/45/12/82/950451282.db2.gz DWKOPJIKTDUARC-LLVKDONJSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@H]1[C@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575911760 950452097 /nfs/dbraw/zinc/45/20/97/950452097.db2.gz PXSCKFWTFUOIAL-BXKDBHETSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@@H]1[C@H](NCc2nn(C)cc2Cl)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575911760 950452108 /nfs/dbraw/zinc/45/21/08/950452108.db2.gz PXSCKFWTFUOIAL-BXKDBHETSA-N -1 3 389.851 0.975 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574992632 950453257 /nfs/dbraw/zinc/45/32/57/950453257.db2.gz FRHQBOWGDGXLRG-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574992632 950453272 /nfs/dbraw/zinc/45/32/72/950453272.db2.gz FRHQBOWGDGXLRG-ZETCQYMHSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cc1ccncc1Cl ZINC001574992660 950454402 /nfs/dbraw/zinc/45/44/02/950454402.db2.gz GSDYPYHIMADLSK-VIFPVBQESA-N -1 3 388.819 0.720 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cc1ccncc1Cl ZINC001574992660 950454417 /nfs/dbraw/zinc/45/44/17/950454417.db2.gz GSDYPYHIMADLSK-VIFPVBQESA-N -1 3 388.819 0.720 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575604988 950454810 /nfs/dbraw/zinc/45/48/10/950454810.db2.gz JMBQYLZRDJWNTG-QDTBLXIISA-N -1 3 385.428 0.483 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575604988 950454821 /nfs/dbraw/zinc/45/48/21/950454821.db2.gz JMBQYLZRDJWNTG-QDTBLXIISA-N -1 3 385.428 0.483 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574993076 950457696 /nfs/dbraw/zinc/45/76/96/950457696.db2.gz IPNIIAMWILNTQL-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM CC(C)c1nn(C)cc1C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574993076 950457709 /nfs/dbraw/zinc/45/77/09/950457709.db2.gz IPNIIAMWILNTQL-SNVBAGLBSA-N -1 3 385.432 0.600 20 0 GCADHM C[C@H](CNC(=O)C[C@@H](C)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574507631 950457766 /nfs/dbraw/zinc/45/77/66/950457766.db2.gz GVHPBISMCCXRLB-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CNC(=O)C[C@@H](C)c1cnn(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574507631 950457776 /nfs/dbraw/zinc/45/77/76/950457776.db2.gz GVHPBISMCCXRLB-GHMZBOCLSA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575912239 950464089 /nfs/dbraw/zinc/46/40/89/950464089.db2.gz QYFKMGQVQMTTCT-SMDDNHRTSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CCc1cnn(C)n1 ZINC001575912239 950464106 /nfs/dbraw/zinc/46/41/06/950464106.db2.gz QYFKMGQVQMTTCT-SMDDNHRTSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574752121 950473391 /nfs/dbraw/zinc/47/33/91/950473391.db2.gz TWWVOYHHVPFTBI-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574752121 950473410 /nfs/dbraw/zinc/47/34/10/950473410.db2.gz TWWVOYHHVPFTBI-JTQLQIEISA-N -1 3 382.428 0.902 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001574166709 950473537 /nfs/dbraw/zinc/47/35/37/950473537.db2.gz WGAQEDUJHXJVAY-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001574166709 950473552 /nfs/dbraw/zinc/47/35/52/950473552.db2.gz WGAQEDUJHXJVAY-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001574166754 950476882 /nfs/dbraw/zinc/47/68/82/950476882.db2.gz YBRZOEIXPYAZDI-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001574166754 950476897 /nfs/dbraw/zinc/47/68/97/950476897.db2.gz YBRZOEIXPYAZDI-CYBMUJFWSA-N -1 3 389.460 0.618 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001574166756 950477373 /nfs/dbraw/zinc/47/73/73/950477373.db2.gz YCHXDJKSSPQZNZ-CYBMUJFWSA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)CC1(C(=O)NC[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001574166756 950477387 /nfs/dbraw/zinc/47/73/87/950477387.db2.gz YCHXDJKSSPQZNZ-CYBMUJFWSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncc2ccccn21 ZINC001574994424 950481200 /nfs/dbraw/zinc/48/12/00/950481200.db2.gz QNFVLDCJEVQABE-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncc2ccccn21 ZINC001574994424 950481215 /nfs/dbraw/zinc/48/12/15/950481215.db2.gz QNFVLDCJEVQABE-JTQLQIEISA-N -1 3 379.384 0.391 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574994339 950481800 /nfs/dbraw/zinc/48/18/00/950481800.db2.gz QJXPJGYVUOWYHE-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2c([nH]1)CCCC2 ZINC001574994339 950481825 /nfs/dbraw/zinc/48/18/25/950481825.db2.gz QJXPJGYVUOWYHE-JTQLQIEISA-N -1 3 382.428 0.950 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ocnc1C(F)F ZINC001574994507 950484743 /nfs/dbraw/zinc/48/47/43/950484743.db2.gz SDAQYLRRZUCMTK-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ocnc1C(F)F ZINC001574994507 950484750 /nfs/dbraw/zinc/48/47/50/950484750.db2.gz SDAQYLRRZUCMTK-ZCFIWIBFSA-N -1 3 380.315 0.669 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574508842 950486933 /nfs/dbraw/zinc/48/69/33/950486933.db2.gz PIEPMLMJNYHLMM-SDDRHHMPSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@H](CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574508842 950486941 /nfs/dbraw/zinc/48/69/41/950486941.db2.gz PIEPMLMJNYHLMM-SDDRHHMPSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2O)CCCOC1 ZINC001575605912 950490108 /nfs/dbraw/zinc/49/01/08/950490108.db2.gz ZWVXSBRCZBYNFR-IIYDPXPESA-N -1 3 392.485 0.406 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2O)CCCOC1 ZINC001575605912 950490118 /nfs/dbraw/zinc/49/01/18/950490118.db2.gz ZWVXSBRCZBYNFR-IIYDPXPESA-N -1 3 392.485 0.406 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@@H]2O)CCOC1 ZINC001575605908 950491173 /nfs/dbraw/zinc/49/11/73/950491173.db2.gz ZRZKKUJKWYWDDB-RVKKMQEKSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@@]1(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C[C@@H]2O)CCOC1 ZINC001575605908 950491191 /nfs/dbraw/zinc/49/11/91/950491191.db2.gz ZRZKKUJKWYWDDB-RVKKMQEKSA-N -1 3 390.419 0.094 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575913922 950491659 /nfs/dbraw/zinc/49/16/59/950491659.db2.gz KHRJMJMMERAPSH-ZYHUDNBSSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1cn(C)c(=O)n1C ZINC001575913922 950491676 /nfs/dbraw/zinc/49/16/76/950491676.db2.gz KHRJMJMMERAPSH-ZYHUDNBSSA-N -1 3 383.416 0.014 20 0 GCADHM C[C@@H](CC(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574508978 950492448 /nfs/dbraw/zinc/49/24/48/950492448.db2.gz NISRNGGMCDZUGN-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@@H](CC(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574508978 950492461 /nfs/dbraw/zinc/49/24/61/950492461.db2.gz NISRNGGMCDZUGN-NSHDSACASA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574508881 950492766 /nfs/dbraw/zinc/49/27/66/950492766.db2.gz PSYMBMRWIMBVAJ-NTZNESFSSA-N -1 3 387.448 0.405 20 0 GCADHM C[C@H](CC(=O)NC[C@H]1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574508881 950492779 /nfs/dbraw/zinc/49/27/79/950492779.db2.gz PSYMBMRWIMBVAJ-NTZNESFSSA-N -1 3 387.448 0.405 20 0 GCADHM CC(C)CCC(=O)N(C)CCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001574167871 950493447 /nfs/dbraw/zinc/49/34/47/950493447.db2.gz KIQPQSNMNMFTEA-UHFFFAOYSA-N -1 3 387.492 0.673 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nnn[n-]4)cc3Cl)C2)CCNC1=O ZINC001575606586 950494680 /nfs/dbraw/zinc/49/46/80/950494680.db2.gz AGRRIEKZCABHKI-IEVXNVSRSA-N -1 3 390.835 0.500 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575914602 950494732 /nfs/dbraw/zinc/49/47/32/950494732.db2.gz LMWAUXBHQGMFQC-JSGCOSHPSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575914602 950494740 /nfs/dbraw/zinc/49/47/40/950494740.db2.gz LMWAUXBHQGMFQC-JSGCOSHPSA-N -1 3 386.460 0.922 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@@H](Nc3ncc(-c4nn[n-]n4)cc3Cl)C2)CCNC1=O ZINC001575606586 950494691 /nfs/dbraw/zinc/49/46/91/950494691.db2.gz AGRRIEKZCABHKI-IEVXNVSRSA-N -1 3 390.835 0.500 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ncccc3-c3nnn[n-]3)C2)CCNC(=O)C1 ZINC001575607052 950498155 /nfs/dbraw/zinc/49/81/55/950498155.db2.gz FWGXNWQIEGQRDZ-PZROIBLQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@]1(C(=O)N[C@H]2C[C@H](CNc3ncccc3-c3nn[n-]n3)C2)CCNC(=O)C1 ZINC001575607052 950498173 /nfs/dbraw/zinc/49/81/73/950498173.db2.gz FWGXNWQIEGQRDZ-PZROIBLQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574509195 950499268 /nfs/dbraw/zinc/49/92/68/950499268.db2.gz SECPVVJTXRNIAQ-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574509195 950499278 /nfs/dbraw/zinc/49/92/78/950499278.db2.gz SECPVVJTXRNIAQ-NWDGAFQWSA-N -1 3 385.432 0.667 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cnn(C)c1 ZINC001574509203 950500154 /nfs/dbraw/zinc/50/01/54/950500154.db2.gz SLKGPSVZNWDODB-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H](CC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cnn(C)c1 ZINC001574509203 950500174 /nfs/dbraw/zinc/50/01/74/950500174.db2.gz SLKGPSVZNWDODB-MNOVXSKESA-N -1 3 385.432 0.357 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575914650 950501039 /nfs/dbraw/zinc/50/10/39/950501039.db2.gz VKSLPLVXYFJOEK-AAEUAGOBSA-N -1 3 385.432 0.078 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCCNC1=O ZINC001575914650 950501058 /nfs/dbraw/zinc/50/10/58/950501058.db2.gz VKSLPLVXYFJOEK-AAEUAGOBSA-N -1 3 385.432 0.078 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573866473 950501441 /nfs/dbraw/zinc/50/14/41/950501441.db2.gz DOQUKIMVGUZOFR-CYBMUJFWSA-N -1 3 389.460 0.977 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573866473 950501455 /nfs/dbraw/zinc/50/14/55/950501455.db2.gz DOQUKIMVGUZOFR-CYBMUJFWSA-N -1 3 389.460 0.977 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)nc3)C2)CCC(=O)NC1 ZINC001575607613 950506467 /nfs/dbraw/zinc/50/64/67/950506467.db2.gz LNKMROOIULHNEJ-AEDCBLDQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)CCC(=O)NC1 ZINC001575607613 950506479 /nfs/dbraw/zinc/50/64/79/950506479.db2.gz LNKMROOIULHNEJ-AEDCBLDQSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575915315 950511315 /nfs/dbraw/zinc/51/13/15/950511315.db2.gz MRTILPZFEHBQQH-GWCFXTLKSA-N -1 3 391.457 0.098 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CC1CS(=O)(=O)C1 ZINC001575915315 950511331 /nfs/dbraw/zinc/51/13/31/950511331.db2.gz MRTILPZFEHBQQH-GWCFXTLKSA-N -1 3 391.457 0.098 20 0 GCADHM CC(C)(C)OCC(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573866740 950512303 /nfs/dbraw/zinc/51/23/03/950512303.db2.gz KQEAQGWVFNJIKO-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM CC(C)(C)OCC(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573866740 950512309 /nfs/dbraw/zinc/51/23/09/950512309.db2.gz KQEAQGWVFNJIKO-UHFFFAOYSA-N -1 3 387.444 0.684 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CCCS1(=O)=O ZINC001575608052 950512870 /nfs/dbraw/zinc/51/28/70/950512870.db2.gz MOZKEPGNKXEYEH-MKBNYLNASA-N -1 3 391.457 0.288 20 0 GCADHM C[C@@]1(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CCCS1(=O)=O ZINC001575608052 950512889 /nfs/dbraw/zinc/51/28/89/950512889.db2.gz MOZKEPGNKXEYEH-MKBNYLNASA-N -1 3 391.457 0.288 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575915620 950514098 /nfs/dbraw/zinc/51/40/98/950514098.db2.gz NNFMUDQACFVSNA-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575915620 950514114 /nfs/dbraw/zinc/51/41/14/950514114.db2.gz NNFMUDQACFVSNA-ZYHUDNBSSA-N -1 3 381.400 0.071 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001573866751 950514878 /nfs/dbraw/zinc/51/48/78/950514878.db2.gz KZSYDGQHGPXSKC-XYYAHUGASA-N -1 3 387.444 0.444 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573866751 950514893 /nfs/dbraw/zinc/51/48/93/950514893.db2.gz KZSYDGQHGPXSKC-XYYAHUGASA-N -1 3 387.444 0.444 20 0 GCADHM CC1CCN(CC(=O)NCC2CC(Nc3ccnc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576205400 950515758 /nfs/dbraw/zinc/51/57/58/950515758.db2.gz ILAOIQZUNOAZAL-UHFFFAOYSA-N -1 3 385.476 0.117 20 0 GCADHM C[C@H](CC(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001574509655 950519619 /nfs/dbraw/zinc/51/96/19/950519619.db2.gz UTCHIUSSRJBCCQ-LLVKDONJSA-N -1 3 387.423 0.881 20 0 GCADHM C[C@H](CC(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001574509655 950519638 /nfs/dbraw/zinc/51/96/38/950519638.db2.gz UTCHIUSSRJBCCQ-LLVKDONJSA-N -1 3 387.423 0.881 20 0 GCADHM CCOC(=O)c1cc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)ccc1F ZINC000275346315 950521618 /nfs/dbraw/zinc/52/16/18/950521618.db2.gz VSUKUYOZYVYLNK-UHFFFAOYSA-N -1 3 388.417 0.830 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Br)n[nH]1)Nc1ncccc1-c1nnn[n-]1 ZINC001574996392 950523400 /nfs/dbraw/zinc/52/34/00/950523400.db2.gz MEJWTHLVNCWHHD-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Br)n[nH]1)Nc1ncccc1-c1nn[n-]n1 ZINC001574996392 950523422 /nfs/dbraw/zinc/52/34/22/950523422.db2.gz MEJWTHLVNCWHHD-ZETCQYMHSA-N -1 3 392.221 0.978 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573867258 950525637 /nfs/dbraw/zinc/52/56/37/950525637.db2.gz RZMRMBJQXFSKEZ-BETUJISGSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)(C)OCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573867258 950525649 /nfs/dbraw/zinc/52/56/49/950525649.db2.gz RZMRMBJQXFSKEZ-BETUJISGSA-N -1 3 387.444 0.825 20 0 GCADHM CC(C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2 ZINC001574170024 950526481 /nfs/dbraw/zinc/52/64/81/950526481.db2.gz DBTFIYKQEHKIKW-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CCC(=O)N1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2 ZINC001574170024 950526496 /nfs/dbraw/zinc/52/64/96/950526496.db2.gz DBTFIYKQEHKIKW-LBPRGKRZSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574753556 950530949 /nfs/dbraw/zinc/53/09/49/950530949.db2.gz PDNUKLXUUOYBCN-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574753556 950530964 /nfs/dbraw/zinc/53/09/64/950530964.db2.gz PDNUKLXUUOYBCN-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574753618 950531610 /nfs/dbraw/zinc/53/16/10/950531610.db2.gz FSADLFLWWQUVKR-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)N[C@H](C)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574753618 950531617 /nfs/dbraw/zinc/53/16/17/950531617.db2.gz FSADLFLWWQUVKR-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CC(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)NC(N)=O ZINC001574509866 950535346 /nfs/dbraw/zinc/53/53/46/950535346.db2.gz ZTQADRMSSPHGTQ-SNVBAGLBSA-N -1 3 383.416 0.330 20 0 GCADHM C[C@H](CC(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)NC(N)=O ZINC001574509866 950535353 /nfs/dbraw/zinc/53/53/53/950535353.db2.gz ZTQADRMSSPHGTQ-SNVBAGLBSA-N -1 3 383.416 0.330 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1nccs1 ZINC001574753633 950536682 /nfs/dbraw/zinc/53/66/82/950536682.db2.gz FXIVBEVULWCYMR-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1nccs1 ZINC001574753633 950536696 /nfs/dbraw/zinc/53/66/96/950536696.db2.gz FXIVBEVULWCYMR-SNVBAGLBSA-N -1 3 388.457 0.861 20 0 GCADHM C[C@@H]1[C@@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575916398 950536658 /nfs/dbraw/zinc/53/66/58/950536658.db2.gz ZCBAERHWPGPICJ-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@@H](NCc2nc(C3CC3)no2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575916398 950536677 /nfs/dbraw/zinc/53/66/77/950536677.db2.gz ZCBAERHWPGPICJ-SKDRFNHKSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575916566 950537504 /nfs/dbraw/zinc/53/75/04/950537504.db2.gz QLJWJNPMEJUSPN-CABZTGNLSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575916566 950537516 /nfs/dbraw/zinc/53/75/16/950537516.db2.gz QLJWJNPMEJUSPN-CABZTGNLSA-N -1 3 382.384 0.669 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574753719 950539145 /nfs/dbraw/zinc/53/91/45/950539145.db2.gz HFDGKJWACXJJNN-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc(Cl)n1C ZINC001574753719 950539159 /nfs/dbraw/zinc/53/91/59/950539159.db2.gz HFDGKJWACXJJNN-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573868339 950539443 /nfs/dbraw/zinc/53/94/43/950539443.db2.gz BPVZFXIQLSPRFV-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573868339 950539460 /nfs/dbraw/zinc/53/94/60/950539460.db2.gz BPVZFXIQLSPRFV-LLVKDONJSA-N -1 3 375.433 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574753846 950543757 /nfs/dbraw/zinc/54/37/57/950543757.db2.gz UFWLCHFPGGTESG-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574753846 950543781 /nfs/dbraw/zinc/54/37/81/950543781.db2.gz UFWLCHFPGGTESG-LLVKDONJSA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCc1nsc(N(C)C)n1 ZINC001574997713 950549047 /nfs/dbraw/zinc/54/90/47/950549047.db2.gz XBSCINZZQGVWOL-QMMMGPOBSA-N -1 3 376.450 0.020 20 0 GCADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCc1nsc(N(C)C)n1 ZINC001574997713 950549065 /nfs/dbraw/zinc/54/90/65/950549065.db2.gz XBSCINZZQGVWOL-QMMMGPOBSA-N -1 3 376.450 0.020 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4ncc(-c5nnn[n-]5)cc4F)C[C@H]32)CCCOC1 ZINC001575614727 950549210 /nfs/dbraw/zinc/54/92/10/950549210.db2.gz OBPUOVNCTMPGOM-NXKACYDGSA-N -1 3 387.419 0.768 20 0 GCADHM C[C@]1(C(=O)N[C@@H]2[C@H]3CN(c4ncc(-c5nn[n-]n5)cc4F)C[C@H]32)CCCOC1 ZINC001575614727 950549223 /nfs/dbraw/zinc/54/92/23/950549223.db2.gz OBPUOVNCTMPGOM-NXKACYDGSA-N -1 3 387.419 0.768 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ncccc1-c1nnn[n-]1 ZINC001574753881 950549614 /nfs/dbraw/zinc/54/96/14/950549614.db2.gz USAXIBFMSVKFKB-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)Nc1ncccc1-c1nn[n-]n1 ZINC001574753881 950549636 /nfs/dbraw/zinc/54/96/36/950549636.db2.gz USAXIBFMSVKFKB-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CCO)CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573868902 950549896 /nfs/dbraw/zinc/54/98/96/950549896.db2.gz HTSXXUQJFRRMIY-UHFFFAOYSA-N -1 3 388.472 0.735 20 0 GCADHM CC(C)(C)OCC(=O)NC1(CCO)CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573868902 950549914 /nfs/dbraw/zinc/54/99/14/950549914.db2.gz HTSXXUQJFRRMIY-UHFFFAOYSA-N -1 3 388.472 0.735 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001573869125 950555213 /nfs/dbraw/zinc/55/52/13/950555213.db2.gz KTPPLTYSAMYDNM-JSGCOSHPSA-N -1 3 375.433 0.133 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001573869125 950555229 /nfs/dbraw/zinc/55/52/29/950555229.db2.gz KTPPLTYSAMYDNM-JSGCOSHPSA-N -1 3 375.433 0.133 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1ccco1 ZINC001574511377 950555924 /nfs/dbraw/zinc/55/59/24/950555924.db2.gz JFPFIUCWZJMFSV-BNOWGMLFSA-N -1 3 383.412 0.714 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1ccco1 ZINC001574511377 950555942 /nfs/dbraw/zinc/55/59/42/950555942.db2.gz JFPFIUCWZJMFSV-BNOWGMLFSA-N -1 3 383.412 0.714 20 0 GCADHM CC1CCN(CC(=O)NC[C@@H]2CCCN2c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576206064 950558121 /nfs/dbraw/zinc/55/81/21/950558121.db2.gz UDPGCJLBCOHORA-AWEZNQCLSA-N -1 3 385.476 0.474 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573869318 950561592 /nfs/dbraw/zinc/56/15/92/950561592.db2.gz OREAQENXLITSLV-ZDUSSCGKSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573869318 950561602 /nfs/dbraw/zinc/56/16/02/950561602.db2.gz OREAQENXLITSLV-ZDUSSCGKSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001574511552 950561615 /nfs/dbraw/zinc/56/16/15/950561615.db2.gz LPZHEUYHTULTTP-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@H](CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001574511552 950561630 /nfs/dbraw/zinc/56/16/30/950561630.db2.gz LPZHEUYHTULTTP-TZMCWYRMSA-N -1 3 382.428 0.978 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ncccc1-c1nnn[n-]1 ZINC001574754125 950563448 /nfs/dbraw/zinc/56/34/48/950563448.db2.gz YCSPIOOHMRLLGZ-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cc1)Nc1ncccc1-c1nn[n-]n1 ZINC001574754125 950563461 /nfs/dbraw/zinc/56/34/61/950563461.db2.gz YCSPIOOHMRLLGZ-NSHDSACASA-N -1 3 380.412 0.933 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575917483 950575205 /nfs/dbraw/zinc/57/52/05/950575205.db2.gz YHNALERCLTWFHY-MWLCHTKSSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575917483 950575229 /nfs/dbraw/zinc/57/52/29/950575229.db2.gz YHNALERCLTWFHY-MWLCHTKSSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575917482 950575265 /nfs/dbraw/zinc/57/52/65/950575265.db2.gz YHNALERCLTWFHY-KOLCDFICSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575917482 950575278 /nfs/dbraw/zinc/57/52/78/950575278.db2.gz YHNALERCLTWFHY-KOLCDFICSA-N -1 3 381.400 0.404 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574999725 950584581 /nfs/dbraw/zinc/58/45/81/950584581.db2.gz MIEFXKJIETWRFV-QMMMGPOBSA-N -1 3 376.808 0.735 20 0 GCADHM C[C@@H](CNC(=O)c1cc(Cl)cn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574999725 950584596 /nfs/dbraw/zinc/58/45/96/950584596.db2.gz MIEFXKJIETWRFV-QMMMGPOBSA-N -1 3 376.808 0.735 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573870148 950584985 /nfs/dbraw/zinc/58/49/85/950584985.db2.gz FFVWVVJMNVRXID-INIZCTEOSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573870148 950585002 /nfs/dbraw/zinc/58/50/02/950585002.db2.gz FFVWVVJMNVRXID-INIZCTEOSA-N -1 3 388.472 0.999 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(Cl)no1 ZINC001574754811 950586698 /nfs/dbraw/zinc/58/66/98/950586698.db2.gz QNLMIEWDOLZCRZ-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(Cl)no1 ZINC001574754811 950586715 /nfs/dbraw/zinc/58/67/15/950586715.db2.gz QNLMIEWDOLZCRZ-SSDOTTSWSA-N -1 3 378.780 0.727 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573870149 950587094 /nfs/dbraw/zinc/58/70/94/950587094.db2.gz FFVWVVJMNVRXID-MRXNPFEDSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573870149 950587108 /nfs/dbraw/zinc/58/71/08/950587108.db2.gz FFVWVVJMNVRXID-MRXNPFEDSA-N -1 3 388.472 0.999 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001573870528 950597712 /nfs/dbraw/zinc/59/77/12/950597712.db2.gz HHLVGIQVAZSGLK-UHFFFAOYSA-N -1 3 375.433 0.779 20 0 GCADHM CC(C)(C)OCC(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001573870528 950597726 /nfs/dbraw/zinc/59/77/26/950597726.db2.gz HHLVGIQVAZSGLK-UHFFFAOYSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001574755799 950598854 /nfs/dbraw/zinc/59/88/54/950598854.db2.gz WESZXHGAMGIIMN-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c(Cl)cnn1C ZINC001574755799 950598868 /nfs/dbraw/zinc/59/88/68/950598868.db2.gz WESZXHGAMGIIMN-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573870818 950599421 /nfs/dbraw/zinc/59/94/21/950599421.db2.gz XOGUFFZUBOXBLR-CYBMUJFWSA-N -1 3 375.433 0.635 20 0 GCADHM CC(C)(C)OCC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573870818 950599444 /nfs/dbraw/zinc/59/94/44/950599444.db2.gz XOGUFFZUBOXBLR-CYBMUJFWSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1cn(C(C)(C)C)nn1 ZINC001574756383 950603881 /nfs/dbraw/zinc/60/38/81/950603881.db2.gz ZOEUYQHKKDWMIA-NSHDSACASA-N -1 3 386.464 0.792 20 0 GCADHM CC1(C)C(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1(C)C ZINC001575618216 950606615 /nfs/dbraw/zinc/60/66/15/950606615.db2.gz IGECWEHBPYLPQJ-UHFFFAOYSA-N -1 3 387.444 0.180 20 0 GCADHM CC1(C)C(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1(C)C ZINC001575618216 950606627 /nfs/dbraw/zinc/60/66/27/950606627.db2.gz IGECWEHBPYLPQJ-UHFFFAOYSA-N -1 3 387.444 0.180 20 0 GCADHM CC1(C)C(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)C1(C)C ZINC001575619095 950619513 /nfs/dbraw/zinc/61/95/13/950619513.db2.gz MSVVBGHDYPMVEZ-NEPJUHHUSA-N -1 3 387.444 0.179 20 0 GCADHM CC1(C)C(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)C1(C)C ZINC001575619095 950619535 /nfs/dbraw/zinc/61/95/35/950619535.db2.gz MSVVBGHDYPMVEZ-NEPJUHHUSA-N -1 3 387.444 0.179 20 0 GCADHM C[C@@H]1[C@H](Nc2cccc(F)c2-c2nnn[n-]2)CCN1C(=O)CCn1cnnn1 ZINC001575919651 950621019 /nfs/dbraw/zinc/62/10/19/950621019.db2.gz JLRHDQQIEQIQGV-ZYHUDNBSSA-N -1 3 386.395 0.484 20 0 GCADHM C[C@@H]1[C@H](Nc2cccc(F)c2-c2nn[n-]n2)CCN1C(=O)CCn1cnnn1 ZINC001575919651 950621031 /nfs/dbraw/zinc/62/10/31/950621031.db2.gz JLRHDQQIEQIQGV-ZYHUDNBSSA-N -1 3 386.395 0.484 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574174115 950621069 /nfs/dbraw/zinc/62/10/69/950621069.db2.gz PIXHDQSSJWBESK-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574174115 950621081 /nfs/dbraw/zinc/62/10/81/950621081.db2.gz PIXHDQSSJWBESK-SFHVURJKSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1CNC(=O)CN1CCC(C)CC1 ZINC001576209227 950626498 /nfs/dbraw/zinc/62/64/98/950626498.db2.gz ZKMNHJCDOJLWFD-HUUCEWRRSA-N -1 3 399.503 0.577 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574759320 950634414 /nfs/dbraw/zinc/63/44/14/950634414.db2.gz NBCTUZDDTFEFIC-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574759320 950634424 /nfs/dbraw/zinc/63/44/24/950634424.db2.gz NBCTUZDDTFEFIC-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573873021 950634530 /nfs/dbraw/zinc/63/45/30/950634530.db2.gz CSVWOVFGGOYEKH-HUUCEWRRSA-N -1 3 392.435 0.482 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573873021 950634540 /nfs/dbraw/zinc/63/45/40/950634540.db2.gz CSVWOVFGGOYEKH-HUUCEWRRSA-N -1 3 392.435 0.482 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574759325 950636023 /nfs/dbraw/zinc/63/60/23/950636023.db2.gz NCCGBNIUQKAGJT-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574759325 950636037 /nfs/dbraw/zinc/63/60/37/950636037.db2.gz NCCGBNIUQKAGJT-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573873041 950635845 /nfs/dbraw/zinc/63/58/45/950635845.db2.gz DENOBUDCEXUEEW-BZPMIXESSA-N -1 3 387.444 0.872 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573873041 950635857 /nfs/dbraw/zinc/63/58/57/950635857.db2.gz DENOBUDCEXUEEW-BZPMIXESSA-N -1 3 387.444 0.872 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)ccc1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574759421 950639919 /nfs/dbraw/zinc/63/99/19/950639919.db2.gz DAVVRDKULMNCPR-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@H](CN(C)C(=O)c1cn(C)ccc1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574759421 950639935 /nfs/dbraw/zinc/63/99/35/950639935.db2.gz DAVVRDKULMNCPR-SNVBAGLBSA-N -1 3 386.391 0.672 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575001690 950640608 /nfs/dbraw/zinc/64/06/08/950640608.db2.gz XUYUFOBXVDTCQT-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1cc(C2CC2)no1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575001690 950640622 /nfs/dbraw/zinc/64/06/22/950640622.db2.gz XUYUFOBXVDTCQT-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1ccnc1 ZINC001574517785 950644869 /nfs/dbraw/zinc/64/48/69/950644869.db2.gz MCKLBBSPQWXODC-WCFLWFBJSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1ccnc1 ZINC001574517785 950644882 /nfs/dbraw/zinc/64/48/82/950644882.db2.gz MCKLBBSPQWXODC-WCFLWFBJSA-N -1 3 383.416 0.420 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001573873556 950649710 /nfs/dbraw/zinc/64/97/10/950649710.db2.gz QMYZEAUTVAGHTD-NEPJUHHUSA-N -1 3 380.474 0.405 20 0 GCADHM CC(C)(C)OCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001573873556 950649725 /nfs/dbraw/zinc/64/97/25/950649725.db2.gz QMYZEAUTVAGHTD-NEPJUHHUSA-N -1 3 380.474 0.405 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001575002097 950650067 /nfs/dbraw/zinc/65/00/67/950650067.db2.gz YYXAKKOLINOIDJ-SNVBAGLBSA-N -1 3 386.420 0.184 20 0 GCADHM C[C@@H](CNC(=O)c1cc(CN(C)C)on1)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001575002097 950650081 /nfs/dbraw/zinc/65/00/81/950650081.db2.gz YYXAKKOLINOIDJ-SNVBAGLBSA-N -1 3 386.420 0.184 20 0 GCADHM CC1(C)CC(C(=O)N2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575623506 950652091 /nfs/dbraw/zinc/65/20/91/950652091.db2.gz BEIYHXMUDDCOOD-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)CC(C(=O)N2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575623506 950652099 /nfs/dbraw/zinc/65/20/99/950652099.db2.gz BEIYHXMUDDCOOD-CYBMUJFWSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574760245 950658124 /nfs/dbraw/zinc/65/81/24/950658124.db2.gz HWTQSSYFHFDIIP-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574760245 950658140 /nfs/dbraw/zinc/65/81/40/950658140.db2.gz HWTQSSYFHFDIIP-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1ccnc1 ZINC001574518745 950658277 /nfs/dbraw/zinc/65/82/77/950658277.db2.gz QTLONDRNSOTPNM-SDDRHHMPSA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1ccnc1 ZINC001574518745 950658290 /nfs/dbraw/zinc/65/82/90/950658290.db2.gz QTLONDRNSOTPNM-SDDRHHMPSA-N -1 3 383.416 0.420 20 0 GCADHM CC1(C)CC(C(=O)N(CCO)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575623961 950662408 /nfs/dbraw/zinc/66/24/08/950662408.db2.gz MJDLVKWTAHSHMX-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC1(C)CC(C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575623961 950662421 /nfs/dbraw/zinc/66/24/21/950662421.db2.gz MJDLVKWTAHSHMX-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575002535 950663786 /nfs/dbraw/zinc/66/37/86/950663786.db2.gz UZGBREFPISWFBM-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575002535 950663800 /nfs/dbraw/zinc/66/38/00/950663800.db2.gz UZGBREFPISWFBM-GFCCVEGCSA-N -1 3 381.444 0.977 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001574519005 950663916 /nfs/dbraw/zinc/66/39/16/950663916.db2.gz SGEJVQPBJJMRMH-DNVSUFBTSA-N -1 3 387.444 0.777 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001574519005 950663930 /nfs/dbraw/zinc/66/39/30/950663930.db2.gz SGEJVQPBJJMRMH-DNVSUFBTSA-N -1 3 387.444 0.777 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573876333 950670408 /nfs/dbraw/zinc/67/04/08/950670408.db2.gz LGWQNZFWXFTQJZ-VXGBXAGGSA-N -1 3 387.444 0.180 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573876333 950670422 /nfs/dbraw/zinc/67/04/22/950670422.db2.gz LGWQNZFWXFTQJZ-VXGBXAGGSA-N -1 3 387.444 0.180 20 0 GCADHM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)c1cnc2[nH]cnc2c1 ZINC001575924350 950671744 /nfs/dbraw/zinc/67/17/44/950671744.db2.gz FFODHTJVMMGXSU-GXSJLCMTSA-N -1 3 391.399 0.643 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001574519449 950683183 /nfs/dbraw/zinc/68/31/83/950683183.db2.gz WLCFVSQTZJNHTM-DRZSPHRISA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H](CC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001574519449 950683195 /nfs/dbraw/zinc/68/31/95/950683195.db2.gz WLCFVSQTZJNHTM-DRZSPHRISA-N -1 3 383.416 0.420 20 0 GCADHM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576214829 950683109 /nfs/dbraw/zinc/68/31/09/950683109.db2.gz CMLZJNTUYUJJQK-OTYXRUKQSA-N -1 3 383.416 0.130 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ncccn1)C1CC1 ZINC001575005441 950684787 /nfs/dbraw/zinc/68/47/87/950684787.db2.gz FFDZPNVDPQTXCU-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ncccn1)C1CC1 ZINC001575005441 950684797 /nfs/dbraw/zinc/68/47/97/950684797.db2.gz FFDZPNVDPQTXCU-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cscn1)C1CC1 ZINC001575005572 950690336 /nfs/dbraw/zinc/69/03/36/950690336.db2.gz HWXBCNWAIAJDOD-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cscn1)C1CC1 ZINC001575005572 950690350 /nfs/dbraw/zinc/69/03/50/950690350.db2.gz HWXBCNWAIAJDOD-INIZCTEOSA-N -1 3 386.441 0.980 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574761572 950694766 /nfs/dbraw/zinc/69/47/66/950694766.db2.gz SJPRKQYFIWXPOH-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1nccc1C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574761572 950694786 /nfs/dbraw/zinc/69/47/86/950694786.db2.gz SJPRKQYFIWXPOH-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001574179120 950695171 /nfs/dbraw/zinc/69/51/71/950695171.db2.gz BKLNKALNIVLZJQ-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001574179120 950695185 /nfs/dbraw/zinc/69/51/85/950695185.db2.gz BKLNKALNIVLZJQ-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001574179077 950695303 /nfs/dbraw/zinc/69/53/03/950695303.db2.gz AHTBWQIKMKNDHP-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001574179077 950695319 /nfs/dbraw/zinc/69/53/19/950695319.db2.gz AHTBWQIKMKNDHP-AWEZNQCLSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574519777 950697650 /nfs/dbraw/zinc/69/76/50/950697650.db2.gz IDMSQDWRNKZFNO-LERXQTSPSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574519777 950697662 /nfs/dbraw/zinc/69/76/62/950697662.db2.gz IDMSQDWRNKZFNO-LERXQTSPSA-N -1 3 389.460 0.569 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574519887 950700591 /nfs/dbraw/zinc/70/05/91/950700591.db2.gz JLVDAEUGQHYAPN-WDEREUQCSA-N -1 3 377.449 0.474 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574519887 950700614 /nfs/dbraw/zinc/70/06/14/950700614.db2.gz JLVDAEUGQHYAPN-WDEREUQCSA-N -1 3 377.449 0.474 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574761642 950700743 /nfs/dbraw/zinc/70/07/43/950700743.db2.gz UNRKDBJXTKJPBA-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574761642 950700762 /nfs/dbraw/zinc/70/07/62/950700762.db2.gz UNRKDBJXTKJPBA-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574762198 950703407 /nfs/dbraw/zinc/70/34/07/950703407.db2.gz XBRUCEUBJQJBMI-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574762198 950703419 /nfs/dbraw/zinc/70/34/19/950703419.db2.gz XBRUCEUBJQJBMI-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575005744 950703736 /nfs/dbraw/zinc/70/37/36/950703736.db2.gz MKHLLYLPDZWBMS-GOSISDBHSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)C1=COCCC1)C1CC1 ZINC001575005744 950703756 /nfs/dbraw/zinc/70/37/56/950703756.db2.gz MKHLLYLPDZWBMS-GOSISDBHSA-N -1 3 385.428 0.904 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cc1ccon1)C1CC1 ZINC001575005879 950705083 /nfs/dbraw/zinc/70/50/83/950705083.db2.gz PFAPMLQXWZUIOJ-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cc1ccon1)C1CC1 ZINC001575005879 950705102 /nfs/dbraw/zinc/70/51/02/950705102.db2.gz PFAPMLQXWZUIOJ-QGZVFWFLSA-N -1 3 384.400 0.440 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574762228 950705548 /nfs/dbraw/zinc/70/55/48/950705548.db2.gz XPRZXAKPVWYLNO-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)N(C)C[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574762228 950705570 /nfs/dbraw/zinc/70/55/70/950705570.db2.gz XPRZXAKPVWYLNO-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575005851 950706552 /nfs/dbraw/zinc/70/65/52/950706552.db2.gz OPZYJAWSRUIFLX-SNVBAGLBSA-N -1 3 386.391 0.849 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575005851 950706564 /nfs/dbraw/zinc/70/65/64/950706564.db2.gz OPZYJAWSRUIFLX-SNVBAGLBSA-N -1 3 386.391 0.849 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575005991 950707648 /nfs/dbraw/zinc/70/76/48/950707648.db2.gz PLUGJIAHLZLUKJ-NSHDSACASA-N -1 3 383.416 0.495 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575005991 950707660 /nfs/dbraw/zinc/70/76/60/950707660.db2.gz PLUGJIAHLZLUKJ-NSHDSACASA-N -1 3 383.416 0.495 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576215754 950708617 /nfs/dbraw/zinc/70/86/17/950708617.db2.gz GFQSUUDIBVVEFW-ZJUUUORDSA-N -1 3 382.432 0.735 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573878498 950708929 /nfs/dbraw/zinc/70/89/29/950708929.db2.gz QZRQEMDYZCXOEJ-IJLUTSLNSA-N -1 3 377.424 0.972 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573878498 950708946 /nfs/dbraw/zinc/70/89/46/950708946.db2.gz QZRQEMDYZCXOEJ-IJLUTSLNSA-N -1 3 377.424 0.972 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCO1 ZINC001574179667 950709273 /nfs/dbraw/zinc/70/92/73/950709273.db2.gz JJMQWAQGLMYYFP-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCO1 ZINC001574179667 950709288 /nfs/dbraw/zinc/70/92/88/950709288.db2.gz JJMQWAQGLMYYFP-AWEZNQCLSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575006031 950711815 /nfs/dbraw/zinc/71/18/15/950711815.db2.gz QKONFSWZEVSVDO-NSHDSACASA-N -1 3 383.416 0.495 20 0 GCADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575006031 950711821 /nfs/dbraw/zinc/71/18/21/950711821.db2.gz QKONFSWZEVSVDO-NSHDSACASA-N -1 3 383.416 0.495 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573878587 950712396 /nfs/dbraw/zinc/71/23/96/950712396.db2.gz VLSAZMKNFVQPSI-QJPTWQEYSA-N -1 3 375.433 0.084 20 0 GCADHM CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573878587 950712420 /nfs/dbraw/zinc/71/24/20/950712420.db2.gz VLSAZMKNFVQPSI-QJPTWQEYSA-N -1 3 375.433 0.084 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ccnnc1)C1CC1 ZINC001575006270 950719739 /nfs/dbraw/zinc/71/97/39/950719739.db2.gz UPDQRJKAJJBKQV-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ccnnc1)C1CC1 ZINC001575006270 950719749 /nfs/dbraw/zinc/71/97/49/950719749.db2.gz UPDQRJKAJJBKQV-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1cccnc1)C1CC1 ZINC001575006523 950719783 /nfs/dbraw/zinc/71/97/83/950719783.db2.gz VIZHAFOJSGFBLY-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1cccnc1)C1CC1 ZINC001575006523 950719798 /nfs/dbraw/zinc/71/97/98/950719798.db2.gz VIZHAFOJSGFBLY-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575006533 950721178 /nfs/dbraw/zinc/72/11/78/950721178.db2.gz VLGRTJFITDXPTE-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@@H]1CCCOC1)C1CC1 ZINC001575006533 950721193 /nfs/dbraw/zinc/72/11/93/950721193.db2.gz VLGRTJFITDXPTE-ADLMAVQZSA-N -1 3 387.444 0.636 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ccnnc1)C1CC1 ZINC001575006271 950721576 /nfs/dbraw/zinc/72/15/76/950721576.db2.gz UPDQRJKAJJBKQV-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ccnnc1)C1CC1 ZINC001575006271 950721596 /nfs/dbraw/zinc/72/15/96/950721596.db2.gz UPDQRJKAJJBKQV-QGZVFWFLSA-N -1 3 381.400 0.313 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nnn[n-]2)no1 ZINC001573879524 950722243 /nfs/dbraw/zinc/72/22/43/950722243.db2.gz DKKHATBTTCOFJL-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)no1 ZINC001573879524 950722261 /nfs/dbraw/zinc/72/22/61/950722261.db2.gz DKKHATBTTCOFJL-JTQLQIEISA-N -1 3 386.416 0.750 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)c1ccncc1)C1CC1 ZINC001575006848 950725263 /nfs/dbraw/zinc/72/52/63/950725263.db2.gz XCROCETWOOZMKA-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)c1ccncc1)C1CC1 ZINC001575006848 950725282 /nfs/dbraw/zinc/72/52/82/950725282.db2.gz XCROCETWOOZMKA-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574763653 950726419 /nfs/dbraw/zinc/72/64/19/950726419.db2.gz HHTONKJIUYTOPA-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574763653 950726437 /nfs/dbraw/zinc/72/64/37/950726437.db2.gz HHTONKJIUYTOPA-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM CC(C)(C)c1cc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001573879570 950727045 /nfs/dbraw/zinc/72/70/45/950727045.db2.gz GEQJZLJBIRCANX-LLVKDONJSA-N -1 3 388.432 0.361 20 0 GCADHM CC(C)(C)c1cc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001573879570 950727059 /nfs/dbraw/zinc/72/70/59/950727059.db2.gz GEQJZLJBIRCANX-LLVKDONJSA-N -1 3 388.432 0.361 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575006956 950729532 /nfs/dbraw/zinc/72/95/32/950729532.db2.gz YZPVYDQSYHFWDG-SECBINFHSA-N -1 3 387.379 0.244 20 0 GCADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575006956 950729548 /nfs/dbraw/zinc/72/95/48/950729548.db2.gz YZPVYDQSYHFWDG-SECBINFHSA-N -1 3 387.379 0.244 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574520495 950732882 /nfs/dbraw/zinc/73/28/82/950732882.db2.gz TTXHFXUJANVUAM-YPMHNXCESA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574520495 950732896 /nfs/dbraw/zinc/73/28/96/950732896.db2.gz TTXHFXUJANVUAM-YPMHNXCESA-N -1 3 391.476 0.816 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2cccnc12)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574763835 950733149 /nfs/dbraw/zinc/73/31/49/950733149.db2.gz LVFFVQMXPWXPQH-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnn2cccnc12)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574763835 950733158 /nfs/dbraw/zinc/73/31/58/950733158.db2.gz LVFFVQMXPWXPQH-LLVKDONJSA-N -1 3 378.400 0.877 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575007942 950733855 /nfs/dbraw/zinc/73/38/55/950733855.db2.gz BGPBMJZSFLKSKO-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H]1CCCOC1 ZINC001575007942 950733871 /nfs/dbraw/zinc/73/38/71/950733871.db2.gz BGPBMJZSFLKSKO-NWDGAFQWSA-N -1 3 375.433 0.588 20 0 GCADHM CC(C)CCC(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001574181062 950739863 /nfs/dbraw/zinc/73/98/63/950739863.db2.gz KALOOLYEAXSELK-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)NCC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001574181062 950739877 /nfs/dbraw/zinc/73/98/77/950739877.db2.gz KALOOLYEAXSELK-UHFFFAOYSA-N -1 3 389.460 0.714 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574181068 950740541 /nfs/dbraw/zinc/74/05/41/950740541.db2.gz KFVMCTHLORQFPE-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574181068 950740558 /nfs/dbraw/zinc/74/05/58/950740558.db2.gz KFVMCTHLORQFPE-CQSZACIVSA-N -1 3 386.460 0.827 20 0 GCADHM CC(C)CCC(=O)N[C@H]1COC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001574181732 950747084 /nfs/dbraw/zinc/74/70/84/950747084.db2.gz PAZHQBPJSBQRPN-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM CC(C)CCC(=O)N[C@H]1COC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001574181732 950747099 /nfs/dbraw/zinc/74/70/99/950747099.db2.gz PAZHQBPJSBQRPN-GFCCVEGCSA-N -1 3 387.444 0.731 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574764232 950748340 /nfs/dbraw/zinc/74/83/40/950748340.db2.gz ROBMVTWFEZRHRX-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574764232 950748357 /nfs/dbraw/zinc/74/83/57/950748357.db2.gz ROBMVTWFEZRHRX-LLVKDONJSA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575008450 950749393 /nfs/dbraw/zinc/74/93/93/950749393.db2.gz FGLWRMPDKJGOQV-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@](C)(O)C1CC1 ZINC001575008450 950749415 /nfs/dbraw/zinc/74/94/15/950749415.db2.gz FGLWRMPDKJGOQV-BTDLBPIBSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574764243 950749594 /nfs/dbraw/zinc/74/95/94/950749594.db2.gz RPQLKHSDTUDUMO-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1cnc(C2CC2)o1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574764243 950749614 /nfs/dbraw/zinc/74/96/14/950749614.db2.gz RPQLKHSDTUDUMO-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)CN3CCC(=O)NC3=O)c(-c3nnn[n-]3)cc2C1 ZINC001576216973 950751340 /nfs/dbraw/zinc/75/13/40/950751340.db2.gz LFVCVRWNDKJAFE-SECBINFHSA-N -1 3 384.400 0.267 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)CN3CCC(=O)NC3=O)c(-c3nn[n-]n3)cc2C1 ZINC001576216973 950751359 /nfs/dbraw/zinc/75/13/59/950751359.db2.gz LFVCVRWNDKJAFE-SECBINFHSA-N -1 3 384.400 0.267 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001575008711 950751497 /nfs/dbraw/zinc/75/14/97/950751497.db2.gz HBBBPVPWUGLVCS-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001575008711 950751507 /nfs/dbraw/zinc/75/15/07/950751507.db2.gz HBBBPVPWUGLVCS-QWRGUYRKSA-N -1 3 385.432 0.214 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574520792 950751468 /nfs/dbraw/zinc/75/14/68/950751468.db2.gz ZJHXRNICDFTTLI-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574520792 950751483 /nfs/dbraw/zinc/75/14/83/950751483.db2.gz ZJHXRNICDFTTLI-LLVKDONJSA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574520793 950752341 /nfs/dbraw/zinc/75/23/41/950752341.db2.gz ZJHXRNICDFTTLI-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM C[C@@H](CC(C)(C)C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574520793 950752355 /nfs/dbraw/zinc/75/23/55/950752355.db2.gz ZJHXRNICDFTTLI-NSHDSACASA-N -1 3 389.460 0.570 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001574181794 950752343 /nfs/dbraw/zinc/75/23/43/950752343.db2.gz QOZOVMOAVABIEM-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)CCC(=O)NCC(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001574181794 950752361 /nfs/dbraw/zinc/75/23/61/950752361.db2.gz QOZOVMOAVABIEM-UHFFFAOYSA-N -1 3 386.460 0.875 20 0 GCADHM CC(C)CCC(=O)NC[C@]1(C)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001574181956 950753784 /nfs/dbraw/zinc/75/37/84/950753784.db2.gz QYPWMJQEPOQSLE-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCC(=O)NC[C@]1(C)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001574181956 950753801 /nfs/dbraw/zinc/75/38/01/950753801.db2.gz QYPWMJQEPOQSLE-GOSISDBHSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575008664 950753862 /nfs/dbraw/zinc/75/38/62/950753862.db2.gz GSICJASFSIDKCG-JUFZMCDQSA-N -1 3 387.444 0.492 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001575008664 950753875 /nfs/dbraw/zinc/75/38/75/950753875.db2.gz GSICJASFSIDKCG-JUFZMCDQSA-N -1 3 387.444 0.492 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574182466 950756624 /nfs/dbraw/zinc/75/66/24/950756624.db2.gz WCDWPLVJSOLTHP-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574182466 950756642 /nfs/dbraw/zinc/75/66/42/950756642.db2.gz WCDWPLVJSOLTHP-UHFFFAOYSA-N -1 3 388.476 0.709 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001575008820 950756905 /nfs/dbraw/zinc/75/69/05/950756905.db2.gz ITPKTJDNJGNOEA-JTQLQIEISA-N -1 3 385.432 0.378 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575008889 950760574 /nfs/dbraw/zinc/76/05/74/950760574.db2.gz JUFXONIUZUUHIN-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCCC(=O)N(C)C ZINC001575008889 950760585 /nfs/dbraw/zinc/76/05/85/950760585.db2.gz JUFXONIUZUUHIN-NSHDSACASA-N -1 3 390.448 0.030 20 0 GCADHM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCc1nccn1C ZINC001575927867 950760678 /nfs/dbraw/zinc/76/06/78/950760678.db2.gz VKGFCTVGTZBDTA-RYUDHWBXSA-N -1 3 382.432 0.424 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cncnc1 ZINC001574520998 950762015 /nfs/dbraw/zinc/76/20/15/950762015.db2.gz CDNATZCIEKJFSY-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cncnc1 ZINC001574520998 950762028 /nfs/dbraw/zinc/76/20/28/950762028.db2.gz CDNATZCIEKJFSY-QWRGUYRKSA-N -1 3 383.416 0.241 20 0 GCADHM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCCn1ccnc1 ZINC001575928014 950769377 /nfs/dbraw/zinc/76/93/77/950769377.db2.gz XOFAPVJANZUTBA-OLZOCXBDSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCCn1ccnc1 ZINC001575928014 950769394 /nfs/dbraw/zinc/76/93/94/950769394.db2.gz XOFAPVJANZUTBA-OLZOCXBDSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cc1cncs1 ZINC001574521117 950772392 /nfs/dbraw/zinc/77/23/92/950772392.db2.gz DDJXYVMOIAXKDH-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cc1cncs1 ZINC001574521117 950772407 /nfs/dbraw/zinc/77/24/07/950772407.db2.gz DDJXYVMOIAXKDH-UWVGGRQHSA-N -1 3 388.457 0.907 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnoc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574765063 950773967 /nfs/dbraw/zinc/77/39/67/950773967.db2.gz CTWWDMBGXOMXSH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1cnoc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765063 950773988 /nfs/dbraw/zinc/77/39/88/950773988.db2.gz CTWWDMBGXOMXSH-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)Cc1ccc(=O)[nH]c1 ZINC001575009095 950774350 /nfs/dbraw/zinc/77/43/50/950774350.db2.gz NLKARRHUUKWBBL-JTQLQIEISA-N -1 3 384.400 0.115 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)Cc1ccc(=O)[nH]c1 ZINC001575009095 950774369 /nfs/dbraw/zinc/77/43/69/950774369.db2.gz NLKARRHUUKWBBL-JTQLQIEISA-N -1 3 384.400 0.115 20 0 GCADHM CC1(C)CC(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575631533 950774910 /nfs/dbraw/zinc/77/49/10/950774910.db2.gz OPYJQWYSYZPGLL-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC1(C)CC(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575631533 950774928 /nfs/dbraw/zinc/77/49/28/950774928.db2.gz OPYJQWYSYZPGLL-UHFFFAOYSA-N -1 3 375.433 0.182 20 0 GCADHM CC(C)(C)c1nc(C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)co1 ZINC001573883991 950777431 /nfs/dbraw/zinc/77/74/31/950777431.db2.gz AQSZTQTVRSBEND-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM CC(C)(C)c1nc(C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)co1 ZINC001573883991 950777441 /nfs/dbraw/zinc/77/74/41/950777441.db2.gz AQSZTQTVRSBEND-UHFFFAOYSA-N -1 3 384.400 0.735 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COCC1CCCC1 ZINC001575009204 950780374 /nfs/dbraw/zinc/78/03/74/950780374.db2.gz PUAFSWNDARRJEJ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COCC1CCCC1 ZINC001575009204 950780391 /nfs/dbraw/zinc/78/03/91/950780391.db2.gz PUAFSWNDARRJEJ-LBPRGKRZSA-N -1 3 389.460 0.978 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnns1 ZINC001575929243 950782234 /nfs/dbraw/zinc/78/22/34/950782234.db2.gz BCNANVLVGRKECD-XVKPBYJWSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnns1 ZINC001575929243 950782249 /nfs/dbraw/zinc/78/22/49/950782249.db2.gz BCNANVLVGRKECD-XVKPBYJWSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)CN(C)S(C)(=O)=O)c(-c3nnn[n-]3)cc2C1 ZINC001576218370 950787107 /nfs/dbraw/zinc/78/71/07/950787107.db2.gz RGSCEULLDDSJDV-SECBINFHSA-N -1 3 379.446 0.216 20 0 GCADHM C[C@@H]1CCc2nc(NC(=O)CN(C)S(C)(=O)=O)c(-c3nn[n-]n3)cc2C1 ZINC001576218370 950787123 /nfs/dbraw/zinc/78/71/23/950787123.db2.gz RGSCEULLDDSJDV-SECBINFHSA-N -1 3 379.446 0.216 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)CCN1C(=O)c1cnn(C)n1 ZINC001575929596 950789407 /nfs/dbraw/zinc/78/94/07/950789407.db2.gz CQZCZBPLEBBXFE-LDYMZIIASA-N -1 3 388.823 0.759 20 0 GCADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)CCN1C(=O)c1cnn(C)n1 ZINC001575929596 950789423 /nfs/dbraw/zinc/78/94/23/950789423.db2.gz CQZCZBPLEBBXFE-LDYMZIIASA-N -1 3 388.823 0.759 20 0 GCADHM C[C@@H](CN(C)CC(=O)N1CCCCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765597 950792848 /nfs/dbraw/zinc/79/28/48/950792848.db2.gz FJDWYZOHOOSQRQ-ZDUSSCGKSA-N -1 3 388.476 0.648 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)c1cccnc1 ZINC001575009604 950794702 /nfs/dbraw/zinc/79/47/02/950794702.db2.gz VJMKFVVLQKKYTP-NEPJUHHUSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)c1cccnc1 ZINC001575009604 950794716 /nfs/dbraw/zinc/79/47/16/950794716.db2.gz VJMKFVVLQKKYTP-NEPJUHHUSA-N -1 3 382.428 0.876 20 0 GCADHM C[C@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574765646 950795487 /nfs/dbraw/zinc/79/54/87/950795487.db2.gz JAPAWEIQXIDGRS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CN(C)C(=O)c1conc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765646 950795496 /nfs/dbraw/zinc/79/54/96/950795496.db2.gz JAPAWEIQXIDGRS-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM CC1(C)CC(CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575632323 950795684 /nfs/dbraw/zinc/79/56/84/950795684.db2.gz HNXRPOGOEXLVPP-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)CC(CC(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575632323 950795696 /nfs/dbraw/zinc/79/56/96/950795696.db2.gz HNXRPOGOEXLVPP-UHFFFAOYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1conc1C1CC1 ZINC001575009841 950798935 /nfs/dbraw/zinc/79/89/35/950798935.db2.gz XNJOKLVZYBWVTN-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1conc1C1CC1 ZINC001575009841 950798955 /nfs/dbraw/zinc/79/89/55/950798955.db2.gz XNJOKLVZYBWVTN-VIFPVBQESA-N -1 3 384.400 0.856 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001573884670 950800953 /nfs/dbraw/zinc/80/09/53/950800953.db2.gz IELXCRWLQSLGKA-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1nnc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001573884670 950800971 /nfs/dbraw/zinc/80/09/71/950800971.db2.gz IELXCRWLQSLGKA-LLVKDONJSA-N -1 3 385.432 0.880 20 0 GCADHM C[C@H](CN(C)CC(=O)NCC(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765943 950803813 /nfs/dbraw/zinc/80/38/13/950803813.db2.gz GRTKUWIOUMIKTD-LLVKDONJSA-N -1 3 376.465 0.407 20 0 GCADHM C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ncccc1-c1nnn[n-]1 ZINC001574765964 950803942 /nfs/dbraw/zinc/80/39/42/950803942.db2.gz GYWOECPKMFZCBJ-JTQLQIEISA-N -1 3 384.400 0.895 20 0 GCADHM C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ncccc1-c1nn[n-]n1 ZINC001574765964 950803973 /nfs/dbraw/zinc/80/39/73/950803973.db2.gz GYWOECPKMFZCBJ-JTQLQIEISA-N -1 3 384.400 0.895 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1noc2c1COCC2 ZINC001575010091 950805753 /nfs/dbraw/zinc/80/57/53/950805753.db2.gz ABZDSALFKFATTI-SNVBAGLBSA-N -1 3 386.416 0.506 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1noc2c1COCC2 ZINC001575010091 950805780 /nfs/dbraw/zinc/80/57/80/950805780.db2.gz ABZDSALFKFATTI-SNVBAGLBSA-N -1 3 386.416 0.506 20 0 GCADHM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001576219201 950805819 /nfs/dbraw/zinc/80/58/19/950805819.db2.gz SSWAIGOWOMJFNB-BONVTDFDSA-N -1 3 382.432 0.298 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1ccn(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574523175 950806509 /nfs/dbraw/zinc/80/65/09/950806509.db2.gz MPQCNVABQSQKNS-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)Cc1ccn(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574523175 950806535 /nfs/dbraw/zinc/80/65/35/950806535.db2.gz MPQCNVABQSQKNS-WDEREUQCSA-N -1 3 385.432 0.184 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)C1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574523106 950809816 /nfs/dbraw/zinc/80/98/16/950809816.db2.gz LYRLGRPYQDAZDV-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)C1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574523106 950809834 /nfs/dbraw/zinc/80/98/34/950809834.db2.gz LYRLGRPYQDAZDV-WDEREUQCSA-N -1 3 375.433 0.635 20 0 GCADHM C[C@@H](CN(C)CC(=O)NC1CCCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574766321 950817035 /nfs/dbraw/zinc/81/70/35/950817035.db2.gz IFKVGSBRCNXEFG-LBPRGKRZSA-N -1 3 388.476 0.694 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575010373 950819902 /nfs/dbraw/zinc/81/99/02/950819902.db2.gz FDJVHMAAHBEYCK-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575010373 950819928 /nfs/dbraw/zinc/81/99/28/950819928.db2.gz FDJVHMAAHBEYCK-WDEREUQCSA-N -1 3 384.400 0.292 20 0 GCADHM C[C@@H](CN(C)CC(=O)Nc1nccs1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574766810 950825094 /nfs/dbraw/zinc/82/50/94/950825094.db2.gz LBHJBRUGVWMCOY-VIFPVBQESA-N -1 3 389.445 0.340 20 0 GCADHM C[C@@H](CN(C)CC(=O)Nc1nccs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766810 950825115 /nfs/dbraw/zinc/82/51/15/950825115.db2.gz LBHJBRUGVWMCOY-VIFPVBQESA-N -1 3 389.445 0.340 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001573885507 950827891 /nfs/dbraw/zinc/82/78/91/950827891.db2.gz SUYDBRSRQFSEPU-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)(C)c1noc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001573885507 950827908 /nfs/dbraw/zinc/82/79/08/950827908.db2.gz SUYDBRSRQFSEPU-SNVBAGLBSA-N -1 3 385.432 0.880 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574187412 950833653 /nfs/dbraw/zinc/83/36/53/950833653.db2.gz PAWADMUHELKLGH-DOMZBBRYSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574187412 950833674 /nfs/dbraw/zinc/83/36/74/950833674.db2.gz PAWADMUHELKLGH-DOMZBBRYSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)(C)c1nsc(N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573887434 950842860 /nfs/dbraw/zinc/84/28/60/950842860.db2.gz ARDQOKCINQAUER-VIFPVBQESA-N -1 3 391.461 0.547 20 0 GCADHM CC(C)(C)c1nsc(N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573887434 950842884 /nfs/dbraw/zinc/84/28/84/950842884.db2.gz ARDQOKCINQAUER-VIFPVBQESA-N -1 3 391.461 0.547 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575011369 950855320 /nfs/dbraw/zinc/85/53/20/950855320.db2.gz OKBQMIIKGDYCEK-HCKVZZMMSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001575011369 950855333 /nfs/dbraw/zinc/85/53/33/950855333.db2.gz OKBQMIIKGDYCEK-HCKVZZMMSA-N -1 3 387.444 0.587 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nn(C)cc1Cl ZINC001575011394 950856043 /nfs/dbraw/zinc/85/60/43/950856043.db2.gz PGPNMGIIEJAPFH-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nn(C)cc1Cl ZINC001575011394 950856057 /nfs/dbraw/zinc/85/60/57/950856057.db2.gz PGPNMGIIEJAPFH-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC001575934385 950856689 /nfs/dbraw/zinc/85/66/89/950856689.db2.gz RBHKIRBDOSAHCJ-KWQFWETISA-N -1 3 387.379 0.555 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001574189064 950860653 /nfs/dbraw/zinc/86/06/53/950860653.db2.gz BBUNEPOSTFFUKA-UKRRQHHQSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001574189064 950860669 /nfs/dbraw/zinc/86/06/69/950860669.db2.gz BBUNEPOSTFFUKA-UKRRQHHQSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)c1cnsn1 ZINC001575934695 950863789 /nfs/dbraw/zinc/86/37/89/950863789.db2.gz SNIQPMRSILTTFS-XCBNKYQSSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)c1cnsn1 ZINC001575934695 950863799 /nfs/dbraw/zinc/86/37/99/950863799.db2.gz SNIQPMRSILTTFS-XCBNKYQSSA-N -1 3 375.393 0.967 20 0 GCADHM C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574767697 950864743 /nfs/dbraw/zinc/86/47/43/950864743.db2.gz PTGNVXOVCJKGQV-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767697 950864756 /nfs/dbraw/zinc/86/47/56/950864756.db2.gz PTGNVXOVCJKGQV-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nnnn1C(C)(C)C ZINC001575011800 950866399 /nfs/dbraw/zinc/86/63/99/950866399.db2.gz SNTACEVTCXKTCO-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nnnn1C(C)(C)C ZINC001575011800 950866417 /nfs/dbraw/zinc/86/64/17/950866417.db2.gz SNTACEVTCXKTCO-JTQLQIEISA-N -1 3 387.452 0.187 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NCC(C)(C)C ZINC001575011971 950872339 /nfs/dbraw/zinc/87/23/39/950872339.db2.gz UVRJTCDXBAVIKK-NSHDSACASA-N -1 3 376.465 0.407 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N1CCS(=O)(=O)CCO1 ZINC001573888628 950873114 /nfs/dbraw/zinc/87/31/14/950873114.db2.gz YBVWJQHFPJZEHF-UHFFFAOYSA-N -1 3 383.434 0.617 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N1CCS(=O)(=O)CCO1 ZINC001573888628 950873126 /nfs/dbraw/zinc/87/31/26/950873126.db2.gz YBVWJQHFPJZEHF-UHFFFAOYSA-N -1 3 383.434 0.617 20 0 GCADHM CC(C)(C)n1nnc(CC(=O)NCCCNc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001573893360 950878417 /nfs/dbraw/zinc/87/84/17/950878417.db2.gz BMQLGOFPSVZKDP-UHFFFAOYSA-N -1 3 385.436 0.164 20 0 GCADHM CC(C)(C)n1nnc(CC(=O)NCCCNc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001573893360 950878431 /nfs/dbraw/zinc/87/84/31/950878431.db2.gz BMQLGOFPSVZKDP-UHFFFAOYSA-N -1 3 385.436 0.164 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001574189361 950879321 /nfs/dbraw/zinc/87/93/21/950879321.db2.gz JFCSJSJTEKXAQH-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001574189361 950879335 /nfs/dbraw/zinc/87/93/35/950879335.db2.gz JFCSJSJTEKXAQH-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)(C)n1ncnc1CNC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573893399 950880288 /nfs/dbraw/zinc/88/02/88/950880288.db2.gz DIBFEJZAJIIXTB-UHFFFAOYSA-N -1 3 384.448 0.594 20 0 GCADHM CC(C)(C)n1ncnc1CNC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573893399 950880303 /nfs/dbraw/zinc/88/03/03/950880303.db2.gz DIBFEJZAJIIXTB-UHFFFAOYSA-N -1 3 384.448 0.594 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574768290 950882841 /nfs/dbraw/zinc/88/28/41/950882841.db2.gz TUIQPFRLCMHCJU-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CN(C)C(=O)c1ncoc1C1CC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768290 950882859 /nfs/dbraw/zinc/88/28/59/950882859.db2.gz TUIQPFRLCMHCJU-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1ncc(Cl)n1C ZINC001575012360 950887179 /nfs/dbraw/zinc/88/71/79/950887179.db2.gz ZDRMUXXNGWPKRO-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1ncc(Cl)n1C ZINC001575012360 950887190 /nfs/dbraw/zinc/88/71/90/950887190.db2.gz ZDRMUXXNGWPKRO-VIFPVBQESA-N -1 3 377.840 0.832 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001576226520 950887351 /nfs/dbraw/zinc/88/73/51/950887351.db2.gz BZRVCIABKUSZMQ-RISCZKNCSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001576226520 950887366 /nfs/dbraw/zinc/88/73/66/950887366.db2.gz BZRVCIABKUSZMQ-RISCZKNCSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOCC1 ZINC001575935699 950887582 /nfs/dbraw/zinc/88/75/82/950887582.db2.gz AGIUJFZMGPKADK-UKRRQHHQSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935699 950887595 /nfs/dbraw/zinc/88/75/95/950887595.db2.gz AGIUJFZMGPKADK-UKRRQHHQSA-N -1 3 386.460 0.385 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575012373 950888556 /nfs/dbraw/zinc/88/85/56/950888556.db2.gz ZGNVXMQRPSMTFO-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574768348 950888732 /nfs/dbraw/zinc/88/87/32/950888732.db2.gz UQBYVPDXIWIKCM-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574768348 950888746 /nfs/dbraw/zinc/88/87/46/950888746.db2.gz UQBYVPDXIWIKCM-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575012373 950888577 /nfs/dbraw/zinc/88/85/77/950888577.db2.gz ZGNVXMQRPSMTFO-MRVPVSSYSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575935753 950892060 /nfs/dbraw/zinc/89/20/60/950892060.db2.gz BECGRRSCACNNPA-CMPLNLGQSA-N -1 3 381.400 0.071 20 0 GCADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC001575935753 950892073 /nfs/dbraw/zinc/89/20/73/950892073.db2.gz BECGRRSCACNNPA-CMPLNLGQSA-N -1 3 381.400 0.071 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893601 950893073 /nfs/dbraw/zinc/89/30/73/950893073.db2.gz MWXRPWYCHASMMB-PHIMTYICSA-N -1 3 383.420 0.376 20 0 GCADHM CC(C)(C)n1nnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893601 950893082 /nfs/dbraw/zinc/89/30/82/950893082.db2.gz MWXRPWYCHASMMB-PHIMTYICSA-N -1 3 383.420 0.376 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001574189831 950897167 /nfs/dbraw/zinc/89/71/67/950897167.db2.gz RSPCJILUBPEDGA-HIFRSBDPSA-N -1 3 389.460 0.713 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001574189831 950897183 /nfs/dbraw/zinc/89/71/83/950897183.db2.gz RSPCJILUBPEDGA-HIFRSBDPSA-N -1 3 389.460 0.713 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCc2nc[nH]c21 ZINC001575014087 950900572 /nfs/dbraw/zinc/90/05/72/950900572.db2.gz CWHLHCZCAMYBMB-ZJUUUORDSA-N -1 3 383.416 0.273 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573893797 950904839 /nfs/dbraw/zinc/90/48/39/950904839.db2.gz WUWRONVPIKDHJG-TXEJJXNPSA-N -1 3 382.432 0.981 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573893797 950904851 /nfs/dbraw/zinc/90/48/51/950904851.db2.gz WUWRONVPIKDHJG-TXEJJXNPSA-N -1 3 382.432 0.981 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001573893841 950910245 /nfs/dbraw/zinc/91/02/45/950910245.db2.gz YZOOKUGFBCATGP-UHFFFAOYSA-N -1 3 381.444 0.827 20 0 GCADHM CC(C)(C)n1cnc(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001573893841 950910267 /nfs/dbraw/zinc/91/02/67/950910267.db2.gz YZOOKUGFBCATGP-UHFFFAOYSA-N -1 3 381.444 0.827 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573893844 950910307 /nfs/dbraw/zinc/91/03/07/950910307.db2.gz ZDCDGQIJZZNJAW-UHFFFAOYSA-N -1 3 384.448 0.403 20 0 GCADHM CC(C)(C)n1ncnc1CN1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573893844 950910322 /nfs/dbraw/zinc/91/03/22/950910322.db2.gz ZDCDGQIJZZNJAW-UHFFFAOYSA-N -1 3 384.448 0.403 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575641114 950911757 /nfs/dbraw/zinc/91/17/57/950911757.db2.gz ADHSKGHWZNRRNT-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575641114 950911767 /nfs/dbraw/zinc/91/17/67/950911767.db2.gz ADHSKGHWZNRRNT-LLVKDONJSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCc2c[nH]nc21 ZINC001575014774 950913440 /nfs/dbraw/zinc/91/34/40/950913440.db2.gz IYCFYHBPESCGKJ-MWLCHTKSSA-N -1 3 383.416 0.273 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574190427 950913977 /nfs/dbraw/zinc/91/39/77/950913977.db2.gz XXPAEGCKBDSJKA-CYBMUJFWSA-N -1 3 377.449 0.570 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574190427 950913991 /nfs/dbraw/zinc/91/39/91/950913991.db2.gz XXPAEGCKBDSJKA-CYBMUJFWSA-N -1 3 377.449 0.570 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1csc(=O)[nH]1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527914 950916244 /nfs/dbraw/zinc/91/62/44/950916244.db2.gz ILQZVEMOCWDQIO-SFYZADRCSA-N -1 3 390.429 0.684 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574190757 950916500 /nfs/dbraw/zinc/91/65/00/950916500.db2.gz AABXHCUDXKNDKX-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CC(C)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574190757 950916513 /nfs/dbraw/zinc/91/65/13/950916513.db2.gz AABXHCUDXKNDKX-CQSZACIVSA-N -1 3 389.460 0.978 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@@](COC)(C(=O)[O-])C1 ZINC001590347427 950917007 /nfs/dbraw/zinc/91/70/07/950917007.db2.gz SZMAKHILCNAZSK-BXKDBHETSA-N -1 3 391.364 0.623 20 0 GCADHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC[C@](COC)(C(=O)[O-])C1 ZINC001590347439 950917176 /nfs/dbraw/zinc/91/71/76/950917176.db2.gz SZMAKHILCNAZSK-SKDRFNHKSA-N -1 3 391.364 0.623 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001573894101 950917372 /nfs/dbraw/zinc/91/73/72/950917372.db2.gz LUZGWQOVRVUBPC-GFCCVEGCSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001573894101 950917389 /nfs/dbraw/zinc/91/73/89/950917389.db2.gz LUZGWQOVRVUBPC-GFCCVEGCSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)cn1 ZINC001573894028 950917627 /nfs/dbraw/zinc/91/76/27/950917627.db2.gz JEYVMJQWLIZULA-ZDUSSCGKSA-N -1 3 385.432 0.416 20 0 GCADHM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)cn1 ZINC001573894028 950917647 /nfs/dbraw/zinc/91/76/47/950917647.db2.gz JEYVMJQWLIZULA-ZDUSSCGKSA-N -1 3 385.432 0.416 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COc1ccc(F)cc1 ZINC001575014984 950917653 /nfs/dbraw/zinc/91/76/53/950917653.db2.gz KVTWLPSUCDJDSE-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COc1ccc(F)cc1 ZINC001575014984 950917671 /nfs/dbraw/zinc/91/76/71/950917671.db2.gz KVTWLPSUCDJDSE-JTQLQIEISA-N -1 3 387.375 0.647 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001573894008 950917788 /nfs/dbraw/zinc/91/77/88/950917788.db2.gz IOPLMIZHQBNJMT-GFCCVEGCSA-N -1 3 382.432 0.935 20 0 GCADHM CC(C)(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001573894008 950917801 /nfs/dbraw/zinc/91/78/01/950917801.db2.gz IOPLMIZHQBNJMT-GFCCVEGCSA-N -1 3 382.432 0.935 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576227695 950919539 /nfs/dbraw/zinc/91/95/39/950919539.db2.gz HWVIFSJPGXOGKX-DGCLKSJQSA-N -1 3 387.444 0.446 20 0 GCADHM C[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576227695 950919554 /nfs/dbraw/zinc/91/95/54/950919554.db2.gz HWVIFSJPGXOGKX-DGCLKSJQSA-N -1 3 387.444 0.446 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001573894152 950924502 /nfs/dbraw/zinc/92/45/02/950924502.db2.gz NXDJPAGVVKFNES-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001573894152 950924525 /nfs/dbraw/zinc/92/45/25/950924525.db2.gz NXDJPAGVVKFNES-LBPRGKRZSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1ccc(C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573894177 950924943 /nfs/dbraw/zinc/92/49/43/950924943.db2.gz PSBRQRYHSBWGHC-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1ccc(C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573894177 950924960 /nfs/dbraw/zinc/92/49/60/950924960.db2.gz PSBRQRYHSBWGHC-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1ccc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573894465 950927018 /nfs/dbraw/zinc/92/70/18/950927018.db2.gz SJOBBXRSGXVETM-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM CC(C)(C)n1ccc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573894465 950927031 /nfs/dbraw/zinc/92/70/31/950927031.db2.gz SJOBBXRSGXVETM-UHFFFAOYSA-N -1 3 383.416 0.401 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)c1cccn(C)c1=O ZINC001575936834 950927696 /nfs/dbraw/zinc/92/76/96/950927696.db2.gz IVVZXEUZHVOPKZ-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575936834 950927721 /nfs/dbraw/zinc/92/77/21/950927721.db2.gz IVVZXEUZHVOPKZ-BXUZGUMPSA-N -1 3 380.412 0.676 20 0 GCADHM CC1(C)C[C@@H](NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)CCS1(=O)=O ZINC001575642359 950936480 /nfs/dbraw/zinc/93/64/80/950936480.db2.gz TYJDQUIJHWWHMI-NSHDSACASA-N -1 3 379.446 0.146 20 0 GCADHM CC1(C)C[C@@H](NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)CCS1(=O)=O ZINC001575642359 950936499 /nfs/dbraw/zinc/93/64/99/950936499.db2.gz TYJDQUIJHWWHMI-NSHDSACASA-N -1 3 379.446 0.146 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccc(=O)[nH]1 ZINC001574528594 950938809 /nfs/dbraw/zinc/93/88/09/950938809.db2.gz NOWVRSWNLBNJRV-ZJUUUORDSA-N -1 3 384.400 0.622 20 0 GCADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccc(=O)[nH]1 ZINC001574528594 950938825 /nfs/dbraw/zinc/93/88/25/950938825.db2.gz NOWVRSWNLBNJRV-ZJUUUORDSA-N -1 3 384.400 0.622 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001574192774 950938893 /nfs/dbraw/zinc/93/88/93/950938893.db2.gz NUXWXQOMDBBTJN-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001574192774 950938905 /nfs/dbraw/zinc/93/89/05/950938905.db2.gz NUXWXQOMDBBTJN-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(N(C)C)cc1 ZINC001575015530 950939931 /nfs/dbraw/zinc/93/99/31/950939931.db2.gz SGXHPUSNRWTJJA-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(N(C)C)cc1 ZINC001575015530 950939949 /nfs/dbraw/zinc/93/99/49/950939949.db2.gz SGXHPUSNRWTJJA-LLVKDONJSA-N -1 3 382.428 0.809 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001574193376 950943296 /nfs/dbraw/zinc/94/32/96/950943296.db2.gz RCLUCLDVJIPKFA-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001574193376 950943316 /nfs/dbraw/zinc/94/33/16/950943316.db2.gz RCLUCLDVJIPKFA-KGLIPLIRSA-N -1 3 375.433 0.323 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575642511 950945179 /nfs/dbraw/zinc/94/51/79/950945179.db2.gz HXSJKDSREFNYAD-SGTLLEGYSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575642511 950945213 /nfs/dbraw/zinc/94/52/13/950945213.db2.gz HXSJKDSREFNYAD-SGTLLEGYSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC1CCCCC1 ZINC001575015724 950945820 /nfs/dbraw/zinc/94/58/20/950945820.db2.gz VYBQUYQOQWNZEK-LLVKDONJSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC1CCCCC1 ZINC001575015724 950945830 /nfs/dbraw/zinc/94/58/30/950945830.db2.gz VYBQUYQOQWNZEK-LLVKDONJSA-N -1 3 375.433 0.779 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575015870 950949537 /nfs/dbraw/zinc/94/95/37/950949537.db2.gz XIYBHXQLKDGPIG-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575015870 950949556 /nfs/dbraw/zinc/94/95/56/950949556.db2.gz XIYBHXQLKDGPIG-VIFPVBQESA-N -1 3 385.432 0.764 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CCCn1cncn1 ZINC001575937605 950949879 /nfs/dbraw/zinc/94/98/79/950949879.db2.gz KXDOWAGQTVELPQ-OCCSQVGLSA-N -1 3 382.432 0.735 20 0 GCADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CCCn1cncn1 ZINC001575937605 950949894 /nfs/dbraw/zinc/94/98/94/950949894.db2.gz KXDOWAGQTVELPQ-OCCSQVGLSA-N -1 3 382.432 0.735 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573896875 950952090 /nfs/dbraw/zinc/95/20/90/950952090.db2.gz KTSJMVPYNRNWCJ-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM CC(C)(CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573896875 950952099 /nfs/dbraw/zinc/95/20/99/950952099.db2.gz KTSJMVPYNRNWCJ-LBPRGKRZSA-N -1 3 375.433 0.228 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001575016829 950957906 /nfs/dbraw/zinc/95/79/06/950957906.db2.gz AMEVGEPDOGDJFT-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C)c1Cl ZINC001575016829 950957925 /nfs/dbraw/zinc/95/79/25/950957925.db2.gz AMEVGEPDOGDJFT-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575643532 950970148 /nfs/dbraw/zinc/97/01/48/950970148.db2.gz MUSBKKPOBIGGDR-CHWSQXEVSA-N -1 3 387.444 0.588 20 0 GCADHM CC1(C)C[C@@H]1C(=O)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575643532 950970166 /nfs/dbraw/zinc/97/01/66/950970166.db2.gz MUSBKKPOBIGGDR-CHWSQXEVSA-N -1 3 387.444 0.588 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NCc1nnc(C2CCC2)n1C ZINC001575017082 950971991 /nfs/dbraw/zinc/97/19/91/950971991.db2.gz HCCHZWRANBUIER-SNVBAGLBSA-N -1 3 384.448 0.499 20 0 GCADHM CC(C)(CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C1CC1 ZINC001573898307 950973696 /nfs/dbraw/zinc/97/36/96/950973696.db2.gz YSIQQSXZONLECO-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM CC(C)(CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C1CC1 ZINC001573898307 950973720 /nfs/dbraw/zinc/97/37/20/950973720.db2.gz YSIQQSXZONLECO-KGLIPLIRSA-N -1 3 387.444 0.323 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1nc(Cl)cs1 ZINC001575017098 950977274 /nfs/dbraw/zinc/97/72/74/950977274.db2.gz HHTGFKYLZITZEG-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1nc(Cl)cs1 ZINC001575017098 950977291 /nfs/dbraw/zinc/97/72/91/950977291.db2.gz HHTGFKYLZITZEG-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575017117 950977375 /nfs/dbraw/zinc/97/73/75/950977375.db2.gz AFRLCPWNDKMZBO-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575017117 950977392 /nfs/dbraw/zinc/97/73/92/950977392.db2.gz AFRLCPWNDKMZBO-JTQLQIEISA-N -1 3 381.400 0.010 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncc(Cl)s1 ZINC001575017090 950978328 /nfs/dbraw/zinc/97/83/28/950978328.db2.gz HFWBKJWUAQQOOR-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncc(Cl)s1 ZINC001575017090 950978347 /nfs/dbraw/zinc/97/83/47/950978347.db2.gz HFWBKJWUAQQOOR-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575017250 950986311 /nfs/dbraw/zinc/98/63/11/950986311.db2.gz CDVMSRHXNQRSEZ-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575017250 950986327 /nfs/dbraw/zinc/98/63/27/950986327.db2.gz CDVMSRHXNQRSEZ-JTQLQIEISA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CO1 ZINC001575938664 950989535 /nfs/dbraw/zinc/98/95/35/950989535.db2.gz MMQQDBIXCABRFW-DGCLKSJQSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CO1 ZINC001575938664 950989558 /nfs/dbraw/zinc/98/95/58/950989558.db2.gz MMQQDBIXCABRFW-DGCLKSJQSA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CO1 ZINC001575938671 950989707 /nfs/dbraw/zinc/98/97/07/950989707.db2.gz MMQQDBIXCABRFW-YPMHNXCESA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CO1 ZINC001575938671 950989732 /nfs/dbraw/zinc/98/97/32/950989732.db2.gz MMQQDBIXCABRFW-YPMHNXCESA-N -1 3 389.460 0.834 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575938847 950991301 /nfs/dbraw/zinc/99/13/01/950991301.db2.gz OUBSCXJJGHDFBA-BXUZGUMPSA-N -1 3 384.444 0.531 20 0 GCADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001575938847 950991306 /nfs/dbraw/zinc/99/13/06/950991306.db2.gz OUBSCXJJGHDFBA-BXUZGUMPSA-N -1 3 384.444 0.531 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575644579 950992105 /nfs/dbraw/zinc/99/21/05/950992105.db2.gz WBTLIKFZEYNMAU-LBPRGKRZSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N1CCC(CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575644579 950992121 /nfs/dbraw/zinc/99/21/21/950992121.db2.gz WBTLIKFZEYNMAU-LBPRGKRZSA-N -1 3 387.444 0.324 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@H]1CO[C@H](C)C1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575938929 950994992 /nfs/dbraw/zinc/99/49/92/950994992.db2.gz NSKDDFBMURJOOC-TZMCWYRMSA-N -1 3 389.460 0.929 20 0 GCADHM CC(C)N(CCN(C)C(=O)[C@H]1CO[C@H](C)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575938929 950995009 /nfs/dbraw/zinc/99/50/09/950995009.db2.gz NSKDDFBMURJOOC-TZMCWYRMSA-N -1 3 389.460 0.929 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cnns1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574530762 950996696 /nfs/dbraw/zinc/99/66/96/950996696.db2.gz WSEFPCWYBXUHAD-HTQZYQBOSA-N -1 3 375.418 0.373 20 0 GCADHM C[C@H](C[C@@H](C)NC(=O)c1cnns1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530762 950996717 /nfs/dbraw/zinc/99/67/17/950996717.db2.gz WSEFPCWYBXUHAD-HTQZYQBOSA-N -1 3 375.418 0.373 20 0 GCADHM CC(C)(CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573900184 950997679 /nfs/dbraw/zinc/99/76/79/950997679.db2.gz SYZLTWNYWDLPKD-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM CC(C)(CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573900184 950997697 /nfs/dbraw/zinc/99/76/97/950997697.db2.gz SYZLTWNYWDLPKD-UHFFFAOYSA-N -1 3 389.460 0.572 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001575017549 950998779 /nfs/dbraw/zinc/99/87/79/950998779.db2.gz HSTDFBZJVSLIGD-SECBINFHSA-N -1 3 386.391 0.911 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001575017549 950998794 /nfs/dbraw/zinc/99/87/94/950998794.db2.gz HSTDFBZJVSLIGD-SECBINFHSA-N -1 3 386.391 0.911 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1nnc2ccccc2n1 ZINC001575017583 951004091 /nfs/dbraw/zinc/00/40/91/951004091.db2.gz LZNSNCAOLFFUBH-SECBINFHSA-N -1 3 392.383 0.081 20 0 GCADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1nnc2ccccc2n1 ZINC001575017583 951004116 /nfs/dbraw/zinc/00/41/16/951004116.db2.gz LZNSNCAOLFFUBH-SECBINFHSA-N -1 3 392.383 0.081 20 0 GCADHM CC1(C)C[C@H]1C(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575646648 951006270 /nfs/dbraw/zinc/00/62/70/951006270.db2.gz BXXOLQNKTLWMSM-KPZWWZAWSA-N -1 3 387.444 0.324 20 0 GCADHM CC1(C)C[C@H]1C(=O)N[C@]1(CO)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575646648 951006292 /nfs/dbraw/zinc/00/62/92/951006292.db2.gz BXXOLQNKTLWMSM-KPZWWZAWSA-N -1 3 387.444 0.324 20 0 GCADHM C[C@@H](CN(C)Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574774591 951006627 /nfs/dbraw/zinc/00/66/27/951006627.db2.gz DHSNUOBQZMONPW-LBPRGKRZSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CN(C)Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)CC1CS(=O)(=O)C1 ZINC001574774591 951006648 /nfs/dbraw/zinc/00/66/48/951006648.db2.gz DHSNUOBQZMONPW-LBPRGKRZSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575019083 951032216 /nfs/dbraw/zinc/03/22/16/951032216.db2.gz RHUREGUBDIKCCE-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575019083 951032231 /nfs/dbraw/zinc/03/22/31/951032231.db2.gz RHUREGUBDIKCCE-JTQLQIEISA-N -1 3 386.391 0.354 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001575019306 951037618 /nfs/dbraw/zinc/03/76/18/951037618.db2.gz SHOPQHOHZYXVKA-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001575019306 951037634 /nfs/dbraw/zinc/03/76/34/951037634.db2.gz SHOPQHOHZYXVKA-SNVBAGLBSA-N -1 3 386.391 0.578 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1scnc1Cl ZINC001575020334 951056956 /nfs/dbraw/zinc/05/69/56/951056956.db2.gz YZUQPDCBDPPIEB-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1scnc1Cl ZINC001575020334 951056967 /nfs/dbraw/zinc/05/69/67/951056967.db2.gz YZUQPDCBDPPIEB-LURJTMIESA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575021103 951060408 /nfs/dbraw/zinc/06/04/08/951060408.db2.gz AWMSNWOWSVGXJQ-SSDOTTSWSA-N -1 3 390.404 0.792 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575021103 951060421 /nfs/dbraw/zinc/06/04/21/951060421.db2.gz AWMSNWOWSVGXJQ-SSDOTTSWSA-N -1 3 390.404 0.792 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ncccc1-c1nnn[n-]1 ZINC001575022172 951070389 /nfs/dbraw/zinc/07/03/89/951070389.db2.gz IFSWEVULOUGKOF-VIFPVBQESA-N -1 3 386.441 0.900 20 0 GCADHM C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ncccc1-c1nn[n-]n1 ZINC001575022172 951070398 /nfs/dbraw/zinc/07/03/98/951070398.db2.gz IFSWEVULOUGKOF-VIFPVBQESA-N -1 3 386.441 0.900 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575024720 951111711 /nfs/dbraw/zinc/11/17/11/951111711.db2.gz LGZSXIGVNRNVAS-VIFPVBQESA-N -1 3 391.413 0.489 20 0 GCADHM C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575024720 951111719 /nfs/dbraw/zinc/11/17/19/951111719.db2.gz LGZSXIGVNRNVAS-VIFPVBQESA-N -1 3 391.413 0.489 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575024956 951120119 /nfs/dbraw/zinc/12/01/19/951120119.db2.gz QLKHWWFMFFERIH-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@H](CNC(=O)c1ccc(N(C)C)nc1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575024956 951120124 /nfs/dbraw/zinc/12/01/24/951120124.db2.gz QLKHWWFMFFERIH-SNVBAGLBSA-N -1 3 383.416 0.204 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575026670 951145428 /nfs/dbraw/zinc/14/54/28/951145428.db2.gz LYWWSQDZSMVLIQ-VIFPVBQESA-N -1 3 384.375 0.730 20 0 GCADHM C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575026670 951145433 /nfs/dbraw/zinc/14/54/33/951145433.db2.gz LYWWSQDZSMVLIQ-VIFPVBQESA-N -1 3 384.375 0.730 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575028348 951172252 /nfs/dbraw/zinc/17/22/52/951172252.db2.gz VPWKKXWTEUATJU-LLVKDONJSA-N -1 3 380.412 0.615 20 0 GCADHM C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575028348 951172255 /nfs/dbraw/zinc/17/22/55/951172255.db2.gz VPWKKXWTEUATJU-LLVKDONJSA-N -1 3 380.412 0.615 20 0 GCADHM C[C@@](CNC(=O)c1ccccn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575031701 951200944 /nfs/dbraw/zinc/20/09/44/951200944.db2.gz HFUHYAWWVXKLBI-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1ccccn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575031701 951200956 /nfs/dbraw/zinc/20/09/56/951200956.db2.gz HFUHYAWWVXKLBI-SFHVURJKSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1cccnc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575032177 951219064 /nfs/dbraw/zinc/21/90/64/951219064.db2.gz SNOAEPTUPVPTJD-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@](CNC(=O)c1cccnc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575032177 951219078 /nfs/dbraw/zinc/21/90/78/951219078.db2.gz SNOAEPTUPVPTJD-GOSISDBHSA-N -1 3 380.412 0.918 20 0 GCADHM C[C@@](CNC(=O)c1ccnnc1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575034994 951264422 /nfs/dbraw/zinc/26/44/22/951264422.db2.gz RTYCYQCMYJCCOW-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@@](CNC(=O)c1ccnnc1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575034994 951264438 /nfs/dbraw/zinc/26/44/38/951264438.db2.gz RTYCYQCMYJCCOW-KRWDZBQOSA-N -1 3 381.400 0.313 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575035517 951276210 /nfs/dbraw/zinc/27/62/10/951276210.db2.gz JPQQVZKZFOIXNI-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575035517 951276220 /nfs/dbraw/zinc/27/62/20/951276220.db2.gz JPQQVZKZFOIXNI-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575035821 951286314 /nfs/dbraw/zinc/28/63/14/951286314.db2.gz MGXYGHOFMTVLCI-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575035821 951286324 /nfs/dbraw/zinc/28/63/24/951286324.db2.gz MGXYGHOFMTVLCI-SNVBAGLBSA-N -1 3 386.391 0.354 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575036246 951291818 /nfs/dbraw/zinc/29/18/18/951291818.db2.gz PYTMAPCWZPYJJA-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1ccnc(C2CC2)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575036246 951291828 /nfs/dbraw/zinc/29/18/28/951291828.db2.gz PYTMAPCWZPYJJA-SECBINFHSA-N -1 3 381.400 0.411 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575036265 951292335 /nfs/dbraw/zinc/29/23/35/951292335.db2.gz QHMDSFULQFBLBN-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575036265 951292350 /nfs/dbraw/zinc/29/23/50/951292350.db2.gz QHMDSFULQFBLBN-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575036249 951293020 /nfs/dbraw/zinc/29/30/20/951293020.db2.gz QAGWISRARCTMAY-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(F)F)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575036249 951293032 /nfs/dbraw/zinc/29/30/32/951293032.db2.gz QAGWISRARCTMAY-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575036461 951294516 /nfs/dbraw/zinc/29/45/16/951294516.db2.gz SDYOZFJSYWHRRE-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575036461 951294525 /nfs/dbraw/zinc/29/45/25/951294525.db2.gz SDYOZFJSYWHRRE-SNVBAGLBSA-N -1 3 385.432 0.695 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](C)N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001575036938 951303890 /nfs/dbraw/zinc/30/38/90/951303890.db2.gz YYXVCTXUZGORHT-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1ccc(C(=O)NC[C@H](C)N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001575036938 951303900 /nfs/dbraw/zinc/30/39/00/951303900.db2.gz YYXVCTXUZGORHT-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575037588 951306692 /nfs/dbraw/zinc/30/66/92/951306692.db2.gz AYFKWPCZBDIKRL-JTQLQIEISA-N -1 3 384.400 0.137 20 0 GCADHM C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575037588 951306705 /nfs/dbraw/zinc/30/67/05/951306705.db2.gz AYFKWPCZBDIKRL-JTQLQIEISA-N -1 3 384.400 0.137 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575037589 951308999 /nfs/dbraw/zinc/30/89/99/951308999.db2.gz AYFKWPCZBDIKRL-SNVBAGLBSA-N -1 3 384.400 0.137 20 0 GCADHM C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575037589 951309017 /nfs/dbraw/zinc/30/90/17/951309017.db2.gz AYFKWPCZBDIKRL-SNVBAGLBSA-N -1 3 384.400 0.137 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001575040358 951339877 /nfs/dbraw/zinc/33/98/77/951339877.db2.gz VSMZVBLOQFJXOJ-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cnc(C(=O)NC[C@@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001575040358 951339884 /nfs/dbraw/zinc/33/98/84/951339884.db2.gz VSMZVBLOQFJXOJ-LLVKDONJSA-N -1 3 385.432 0.863 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575041803 951351083 /nfs/dbraw/zinc/35/10/83/951351083.db2.gz CLRUUALQXIYQQY-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575041803 951351093 /nfs/dbraw/zinc/35/10/93/951351093.db2.gz CLRUUALQXIYQQY-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575041941 951351859 /nfs/dbraw/zinc/35/18/59/951351859.db2.gz DIRNKFDTUCSFBR-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575041941 951351871 /nfs/dbraw/zinc/35/18/71/951351871.db2.gz DIRNKFDTUCSFBR-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575042607 951366356 /nfs/dbraw/zinc/36/63/56/951366356.db2.gz LERMZLJIFVBWBA-QMMMGPOBSA-N -1 3 391.823 0.183 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575042607 951366368 /nfs/dbraw/zinc/36/63/68/951366368.db2.gz LERMZLJIFVBWBA-QMMMGPOBSA-N -1 3 391.823 0.183 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001575043228 951383292 /nfs/dbraw/zinc/38/32/92/951383292.db2.gz PELGESGYLVHPTJ-SNVBAGLBSA-N -1 3 388.407 0.521 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001575043228 951383303 /nfs/dbraw/zinc/38/33/03/951383303.db2.gz PELGESGYLVHPTJ-SNVBAGLBSA-N -1 3 388.407 0.521 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575043371 951388766 /nfs/dbraw/zinc/38/87/66/951388766.db2.gz RMFWMVHBARDZEJ-NSHDSACASA-N -1 3 382.432 0.833 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575043371 951388775 /nfs/dbraw/zinc/38/87/75/951388775.db2.gz RMFWMVHBARDZEJ-NSHDSACASA-N -1 3 382.432 0.833 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575043812 951402144 /nfs/dbraw/zinc/40/21/44/951402144.db2.gz VTACVIGCVCJUQL-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575043812 951402153 /nfs/dbraw/zinc/40/21/53/951402153.db2.gz VTACVIGCVCJUQL-VIFPVBQESA-N -1 3 384.404 0.060 20 0 GCADHM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575043925 951405300 /nfs/dbraw/zinc/40/53/00/951405300.db2.gz NAMILGFVVUIZMU-MRVPVSSYSA-N -1 3 389.807 0.889 20 0 GCADHM C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575043925 951405323 /nfs/dbraw/zinc/40/53/23/951405323.db2.gz NAMILGFVVUIZMU-MRVPVSSYSA-N -1 3 389.807 0.889 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCC2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575043913 951406103 /nfs/dbraw/zinc/40/61/03/951406103.db2.gz WOSXAPIJSRKRST-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@@H](CNC(=O)c1cn2c(n1)CCC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575043913 951406112 /nfs/dbraw/zinc/40/61/12/951406112.db2.gz WOSXAPIJSRKRST-JTQLQIEISA-N -1 3 383.416 0.228 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575043987 951408103 /nfs/dbraw/zinc/40/81/03/951408103.db2.gz XOHGHEDDTVWOJC-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cn(C)nc1C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575043987 951408118 /nfs/dbraw/zinc/40/81/18/951408118.db2.gz XOHGHEDDTVWOJC-SECBINFHSA-N -1 3 383.416 0.354 20 0 GCADHM C[C@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044590 951416040 /nfs/dbraw/zinc/41/60/40/951416040.db2.gz SNIWFOXAIGPZBV-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cnc(C2CC2)o1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044590 951416045 /nfs/dbraw/zinc/41/60/45/951416045.db2.gz SNIWFOXAIGPZBV-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575045126 951425734 /nfs/dbraw/zinc/42/57/34/951425734.db2.gz ZNMYITRHISNKKY-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575045126 951425736 /nfs/dbraw/zinc/42/57/36/951425736.db2.gz ZNMYITRHISNKKY-SECBINFHSA-N -1 3 375.824 0.903 20 0 GCADHM C[C@H](CNC(=O)c1cnc2nccnc2c1)Nc1ncccc1-c1nnn[n-]1 ZINC001575046465 951443408 /nfs/dbraw/zinc/44/34/08/951443408.db2.gz OKQKQSUXHNFKJE-SNVBAGLBSA-N -1 3 376.384 0.830 20 0 GCADHM C[C@H](CNC(=O)c1cnc2nccnc2c1)Nc1ncccc1-c1nn[n-]n1 ZINC001575046465 951443419 /nfs/dbraw/zinc/44/34/19/951443419.db2.gz OKQKQSUXHNFKJE-SNVBAGLBSA-N -1 3 376.384 0.830 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575047195 951454023 /nfs/dbraw/zinc/45/40/23/951454023.db2.gz ZCSYQUOCIOOGPV-LLVKDONJSA-N -1 3 383.416 0.243 20 0 GCADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575047195 951454031 /nfs/dbraw/zinc/45/40/31/951454031.db2.gz ZCSYQUOCIOOGPV-LLVKDONJSA-N -1 3 383.416 0.243 20 0 GCADHM C[C@H](CNC(=O)c1cnc2nccnc2c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575047176 951454733 /nfs/dbraw/zinc/45/47/33/951454733.db2.gz YMUBOIJSWDBYRO-SNVBAGLBSA-N -1 3 376.384 0.830 20 0 GCADHM C[C@H](CNC(=O)c1cnc2nccnc2c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575047176 951454739 /nfs/dbraw/zinc/45/47/39/951454739.db2.gz YMUBOIJSWDBYRO-SNVBAGLBSA-N -1 3 376.384 0.830 20 0 GCADHM C[C@](CNC(=O)c1cncs1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575052388 951463252 /nfs/dbraw/zinc/46/32/52/951463252.db2.gz ICVGNAIZGCESBY-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1cncs1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575052388 951463262 /nfs/dbraw/zinc/46/32/62/951463262.db2.gz ICVGNAIZGCESBY-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1N)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575052731 951470565 /nfs/dbraw/zinc/47/05/65/951470565.db2.gz NHSYQEDDASBGRX-JTQLQIEISA-N -1 3 387.423 0.572 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1N)N(C)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575052732 951471352 /nfs/dbraw/zinc/47/13/52/951471352.db2.gz NHSYQEDDASBGRX-SNVBAGLBSA-N -1 3 387.423 0.572 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053135 951473085 /nfs/dbraw/zinc/47/30/85/951473085.db2.gz QZBLRVVJWNAVQJ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053135 951473090 /nfs/dbraw/zinc/47/30/90/951473090.db2.gz QZBLRVVJWNAVQJ-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575053191 951473693 /nfs/dbraw/zinc/47/36/93/951473693.db2.gz ABNGNENWXVCJMU-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575053191 951473700 /nfs/dbraw/zinc/47/37/00/951473700.db2.gz ABNGNENWXVCJMU-LLVKDONJSA-N -1 3 383.416 0.719 20 0 GCADHM C[C@](CNC(=O)c1cncs1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001575053202 951477306 /nfs/dbraw/zinc/47/73/06/951477306.db2.gz RIUDVIVKEHPKSP-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@](CNC(=O)c1cncs1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575053202 951477311 /nfs/dbraw/zinc/47/73/11/951477311.db2.gz RIUDVIVKEHPKSP-MRXNPFEDSA-N -1 3 386.441 0.980 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C(F)F)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053657 951481406 /nfs/dbraw/zinc/48/14/06/951481406.db2.gz SZBZYVLNLSVTQR-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C(F)F)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053657 951481417 /nfs/dbraw/zinc/48/14/17/951481417.db2.gz SZBZYVLNLSVTQR-SSDOTTSWSA-N -1 3 379.331 0.335 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001575053679 951481700 /nfs/dbraw/zinc/48/17/00/951481700.db2.gz UGEOFCFTEZPARM-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM CC(C)n1cc(C(=O)NC[C@H](C)N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001575053679 951481714 /nfs/dbraw/zinc/48/17/14/951481714.db2.gz UGEOFCFTEZPARM-NSHDSACASA-N -1 3 385.432 0.863 20 0 GCADHM C[C@](CNC(=O)c1cnsn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001575053755 951483767 /nfs/dbraw/zinc/48/37/67/951483767.db2.gz DOKGZBBENRIVFP-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@](CNC(=O)c1cnsn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575053755 951483777 /nfs/dbraw/zinc/48/37/77/951483777.db2.gz DOKGZBBENRIVFP-OAHLLOKOSA-N -1 3 387.429 0.375 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575054182 951489538 /nfs/dbraw/zinc/48/95/38/951489538.db2.gz XDAJGGMPRWRDHB-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1cnn(C)c1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575054182 951489545 /nfs/dbraw/zinc/48/95/45/951489545.db2.gz XDAJGGMPRWRDHB-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575054669 951495966 /nfs/dbraw/zinc/49/59/66/951495966.db2.gz ZVAKYINTHWDZOE-QMMMGPOBSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575054669 951495972 /nfs/dbraw/zinc/49/59/72/951495972.db2.gz ZVAKYINTHWDZOE-QMMMGPOBSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575055361 951502880 /nfs/dbraw/zinc/50/28/80/951502880.db2.gz ROEHSMSJIPMVCQ-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@@H](CNC(=O)c1cnn2c1CCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575055361 951502889 /nfs/dbraw/zinc/50/28/89/951502889.db2.gz ROEHSMSJIPMVCQ-JTQLQIEISA-N -1 3 383.416 0.276 20 0 GCADHM C[C@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575055435 951505112 /nfs/dbraw/zinc/50/51/12/951505112.db2.gz UFYZUCDIPUMFPT-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1cnoc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575055435 951505119 /nfs/dbraw/zinc/50/51/19/951505119.db2.gz UFYZUCDIPUMFPT-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1csc(=O)[nH]1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575057001 951525333 /nfs/dbraw/zinc/52/53/33/951525333.db2.gz NSUARFDXETYVPZ-SSDOTTSWSA-N -1 3 376.402 0.247 20 0 GCADHM C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575058107 951535870 /nfs/dbraw/zinc/53/58/70/951535870.db2.gz UVVTUSPCETVIBG-SECBINFHSA-N -1 3 391.413 0.489 20 0 GCADHM C[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575058107 951535882 /nfs/dbraw/zinc/53/58/82/951535882.db2.gz UVVTUSPCETVIBG-SECBINFHSA-N -1 3 391.413 0.489 20 0 GCADHM C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1cnc(-c2nnn[n-]2)cn1 ZINC001575062812 951571054 /nfs/dbraw/zinc/57/10/54/951571054.db2.gz YVFPEHBSVACRBE-JTQLQIEISA-N -1 3 382.432 0.513 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575064932 951580930 /nfs/dbraw/zinc/58/09/30/951580930.db2.gz FVWUJDVCTWOJQP-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575064932 951580935 /nfs/dbraw/zinc/58/09/35/951580935.db2.gz FVWUJDVCTWOJQP-QMMMGPOBSA-N -1 3 391.823 0.472 20 0 GCADHM C[C@@H](CNC(=O)c1nnc2ccccc2n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575065820 951588526 /nfs/dbraw/zinc/58/85/26/951588526.db2.gz ITQNTCKRXIDEAC-VIFPVBQESA-N -1 3 392.383 0.081 20 0 GCADHM C[C@@H](CNC(=O)c1nnc2ccccc2n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575065820 951588532 /nfs/dbraw/zinc/58/85/32/951588532.db2.gz ITQNTCKRXIDEAC-VIFPVBQESA-N -1 3 392.383 0.081 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575065867 951590106 /nfs/dbraw/zinc/59/01/06/951590106.db2.gz JBDQCRJLNXDBJH-SECBINFHSA-N -1 3 388.411 0.978 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575065867 951590114 /nfs/dbraw/zinc/59/01/14/951590114.db2.gz JBDQCRJLNXDBJH-SECBINFHSA-N -1 3 388.411 0.978 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575066965 951602023 /nfs/dbraw/zinc/60/20/23/951602023.db2.gz OCDIBTUJIAJWTF-JTQLQIEISA-N -1 3 384.400 0.800 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1COCC2)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575066965 951602027 /nfs/dbraw/zinc/60/20/27/951602027.db2.gz OCDIBTUJIAJWTF-JTQLQIEISA-N -1 3 384.400 0.800 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575066983 951602920 /nfs/dbraw/zinc/60/29/20/951602920.db2.gz OICWIRVUQMXXLB-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575066983 951602928 /nfs/dbraw/zinc/60/29/28/951602928.db2.gz OICWIRVUQMXXLB-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575067388 951610988 /nfs/dbraw/zinc/61/09/88/951610988.db2.gz RYHUUDGJXNWSAN-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1nn(C)cc1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575067388 951610994 /nfs/dbraw/zinc/61/09/94/951610994.db2.gz RYHUUDGJXNWSAN-SSDOTTSWSA-N -1 3 377.796 0.130 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575067633 951618721 /nfs/dbraw/zinc/61/87/21/951618721.db2.gz WUISEWSQHDCBSF-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1noc2c1CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575067633 951618728 /nfs/dbraw/zinc/61/87/28/951618728.db2.gz WUISEWSQHDCBSF-SECBINFHSA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1CCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575067635 951619012 /nfs/dbraw/zinc/61/90/12/951619012.db2.gz WUISEWSQHDCBSF-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@@H](CNC(=O)c1noc2c1CCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575067635 951619017 /nfs/dbraw/zinc/61/90/17/951619017.db2.gz WUISEWSQHDCBSF-VIFPVBQESA-N -1 3 384.400 0.610 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575067708 951620980 /nfs/dbraw/zinc/62/09/80/951620980.db2.gz OKZLNVGHJDGOSV-MRVPVSSYSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575067708 951620985 /nfs/dbraw/zinc/62/09/85/951620985.db2.gz OKZLNVGHJDGOSV-MRVPVSSYSA-N -1 3 376.812 0.298 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575067795 951622516 /nfs/dbraw/zinc/62/25/16/951622516.db2.gz ZEHYEOZMZWENEI-SNVBAGLBSA-N -1 3 385.436 0.258 20 0 GCADHM C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575067795 951622522 /nfs/dbraw/zinc/62/25/22/951622522.db2.gz ZEHYEOZMZWENEI-SNVBAGLBSA-N -1 3 385.436 0.258 20 0 GCADHM C[C@@H](CNC(=O)c1nccnc1N)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575067844 951623383 /nfs/dbraw/zinc/62/33/83/951623383.db2.gz PNENOZLRLAXICC-MRVPVSSYSA-N -1 3 388.823 0.765 20 0 GCADHM C[C@@H](CNC(=O)c1nccnc1N)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575067844 951623396 /nfs/dbraw/zinc/62/33/96/951623396.db2.gz PNENOZLRLAXICC-MRVPVSSYSA-N -1 3 388.823 0.765 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575067805 951623743 /nfs/dbraw/zinc/62/37/43/951623743.db2.gz ZJGBFTYYKBSPPC-SNVBAGLBSA-N -1 3 385.436 0.481 20 0 GCADHM C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575067805 951623745 /nfs/dbraw/zinc/62/37/45/951623745.db2.gz ZJGBFTYYKBSPPC-SNVBAGLBSA-N -1 3 385.436 0.481 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575068024 951629510 /nfs/dbraw/zinc/62/95/10/951629510.db2.gz VPICOSFAHXJARD-SECBINFHSA-N -1 3 388.411 0.978 20 0 GCADHM C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575068024 951629520 /nfs/dbraw/zinc/62/95/20/951629520.db2.gz VPICOSFAHXJARD-SECBINFHSA-N -1 3 388.411 0.978 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575068265 951632735 /nfs/dbraw/zinc/63/27/35/951632735.db2.gz YXXOTRCCLYQJBU-NSHDSACASA-N -1 3 384.448 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575068265 951632738 /nfs/dbraw/zinc/63/27/38/951632738.db2.gz YXXOTRCCLYQJBU-NSHDSACASA-N -1 3 384.448 0.863 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575068890 951637900 /nfs/dbraw/zinc/63/79/00/951637900.db2.gz DOESXECFUZDFLG-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575068890 951637908 /nfs/dbraw/zinc/63/79/08/951637908.db2.gz DOESXECFUZDFLG-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575069090 951639991 /nfs/dbraw/zinc/63/99/91/951639991.db2.gz GBNYGOXZYCFKSQ-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575069090 951640001 /nfs/dbraw/zinc/64/00/01/951640001.db2.gz GBNYGOXZYCFKSQ-SECBINFHSA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1sccc1CN(C)C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001575069540 951643255 /nfs/dbraw/zinc/64/32/55/951643255.db2.gz JXAPRBJXDZIPDZ-SNVBAGLBSA-N -1 3 387.473 0.432 20 0 GCADHM C[C@H](CNC(=O)c1sccc1CN(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575069540 951643262 /nfs/dbraw/zinc/64/32/62/951643262.db2.gz JXAPRBJXDZIPDZ-SNVBAGLBSA-N -1 3 387.473 0.432 20 0 GCADHM C[C@H](CNC(=O)c1scnc1Cl)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575070532 951651739 /nfs/dbraw/zinc/65/17/39/951651739.db2.gz RDULLBSGPDNHEZ-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@H](CNC(=O)c1scnc1Cl)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575070532 951651744 /nfs/dbraw/zinc/65/17/44/951651744.db2.gz RDULLBSGPDNHEZ-ZCFIWIBFSA-N -1 3 380.821 0.853 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575070682 951653767 /nfs/dbraw/zinc/65/37/67/951653767.db2.gz TXLMJHPMTLOFBC-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@@H](CNC(=O)c1ocnc1C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575070682 951653773 /nfs/dbraw/zinc/65/37/73/951653773.db2.gz TXLMJHPMTLOFBC-VIFPVBQESA-N -1 3 384.400 0.951 20 0 GCADHM C[C@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575071335 951658960 /nfs/dbraw/zinc/65/89/60/951658960.db2.gz ZWQDJRVHCSHEHW-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM C[C@H](CNC(=O)c1snnc1C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575071335 951658962 /nfs/dbraw/zinc/65/89/62/951658962.db2.gz ZWQDJRVHCSHEHW-SSDOTTSWSA-N -1 3 387.429 0.472 20 0 GCADHM O=C([O-])CN1CC[C@@H](N[C@]2(CO)CCc3cc(Br)ccc3C2)C1=O ZINC001595079810 951669509 /nfs/dbraw/zinc/66/95/09/951669509.db2.gz TXQCDTCMUIIQTR-RHSMWYFYSA-N -1 3 397.269 0.944 20 0 GCADHM C[C@@H](CNCc1nnsc1Cl)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575116726 951972299 /nfs/dbraw/zinc/97/22/99/951972299.db2.gz GQANYQIQTAXKJK-ZETCQYMHSA-N -1 3 381.853 0.855 20 0 GCADHM C[C@@H](CNCc1nnsc1Cl)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575116726 951972304 /nfs/dbraw/zinc/97/23/04/951972304.db2.gz GQANYQIQTAXKJK-ZETCQYMHSA-N -1 3 381.853 0.855 20 0 GCADHM C[C@H](CNCc1cn(C(C)(C)C)nn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575117064 951976813 /nfs/dbraw/zinc/97/68/13/951976813.db2.gz KXZCXPOZYZSZJD-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CNCc1cn(C(C)(C)C)nn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575117064 951976820 /nfs/dbraw/zinc/97/68/20/951976820.db2.gz KXZCXPOZYZSZJD-LLVKDONJSA-N -1 3 386.464 0.792 20 0 GCADHM C[C@H](CNCc1nnsc1Cl)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575118254 951984020 /nfs/dbraw/zinc/98/40/20/951984020.db2.gz RMCMKENLWABDSI-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CNCc1nnsc1Cl)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575118254 951984026 /nfs/dbraw/zinc/98/40/26/951984026.db2.gz RMCMKENLWABDSI-SSDOTTSWSA-N -1 3 381.853 0.950 20 0 GCADHM C[C@H](CNCc1nnn(C(C)(C)C)n1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575119255 951987765 /nfs/dbraw/zinc/98/77/65/951987765.db2.gz VWYKDZVEAFNWIA-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNCc1nnn(C(C)(C)C)n1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575119255 951987773 /nfs/dbraw/zinc/98/77/73/951987773.db2.gz VWYKDZVEAFNWIA-SNVBAGLBSA-N -1 3 387.452 0.187 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575121258 951994869 /nfs/dbraw/zinc/99/48/69/951994869.db2.gz DRHCGGVVHGFIQH-LLVKDONJSA-N -1 3 381.462 0.345 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CCCS(C)(=O)=O ZINC001575121258 951994876 /nfs/dbraw/zinc/99/48/76/951994876.db2.gz DRHCGGVVHGFIQH-LLVKDONJSA-N -1 3 381.462 0.345 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575122216 952002242 /nfs/dbraw/zinc/00/22/42/952002242.db2.gz KLIACGSBEFDYES-KDOFPFPSSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575122216 952002255 /nfs/dbraw/zinc/00/22/55/952002255.db2.gz KLIACGSBEFDYES-KDOFPFPSSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575122873 952006736 /nfs/dbraw/zinc/00/67/36/952006736.db2.gz AAMNMWKOFPFVCR-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001575122873 952006742 /nfs/dbraw/zinc/00/67/42/952006742.db2.gz AAMNMWKOFPFVCR-RYUDHWBXSA-N -1 3 382.432 0.375 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575123017 952009582 /nfs/dbraw/zinc/00/95/82/952009582.db2.gz BTONXGQHBAMQTE-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575123017 952009591 /nfs/dbraw/zinc/00/95/91/952009591.db2.gz BTONXGQHBAMQTE-QWHCGFSZSA-N -1 3 381.444 0.980 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575123785 952022795 /nfs/dbraw/zinc/02/27/95/952022795.db2.gz RELOBUJRKNRVGY-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575123785 952022804 /nfs/dbraw/zinc/02/28/04/952022804.db2.gz RELOBUJRKNRVGY-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)cn1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575123788 952023112 /nfs/dbraw/zinc/02/31/12/952023112.db2.gz RELOBUJRKNRVGY-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)cn1)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001575123788 952023125 /nfs/dbraw/zinc/02/31/25/952023125.db2.gz RELOBUJRKNRVGY-VOJFVSQTSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575124147 952025447 /nfs/dbraw/zinc/02/54/47/952025447.db2.gz RPGAAOOXYAFYRY-TZMCWYRMSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575124147 952025456 /nfs/dbraw/zinc/02/54/56/952025456.db2.gz RPGAAOOXYAFYRY-TZMCWYRMSA-N -1 3 375.433 0.716 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575124589 952030938 /nfs/dbraw/zinc/03/09/38/952030938.db2.gz UXWBCZDVEBRPKA-YPMHNXCESA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001575124589 952030941 /nfs/dbraw/zinc/03/09/41/952030941.db2.gz UXWBCZDVEBRPKA-YPMHNXCESA-N -1 3 387.448 0.454 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575125010 952035949 /nfs/dbraw/zinc/03/59/49/952035949.db2.gz WRHZAGABJIBPJX-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575125010 952035957 /nfs/dbraw/zinc/03/59/57/952035957.db2.gz WRHZAGABJIBPJX-LLVKDONJSA-N -1 3 382.432 0.690 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575126612 952052750 /nfs/dbraw/zinc/05/27/50/952052750.db2.gz TWWVXDYQBMSGML-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cccnc1C(N)=O ZINC001575126612 952052756 /nfs/dbraw/zinc/05/27/56/952052756.db2.gz TWWVXDYQBMSGML-SNVBAGLBSA-N -1 3 381.400 0.328 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nc1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575126604 952053990 /nfs/dbraw/zinc/05/39/90/952053990.db2.gz TVHDNEWGVKOCLG-KSSFIOAISA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@](CNc1ccc(-c2nn[n-]n2)nc1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575126604 952053999 /nfs/dbraw/zinc/05/39/99/952053999.db2.gz TVHDNEWGVKOCLG-KSSFIOAISA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575127662 952059587 /nfs/dbraw/zinc/05/95/87/952059587.db2.gz ZTSRDHNAZHUFLW-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)c1cnc2n1CCOC2 ZINC001575127662 952059594 /nfs/dbraw/zinc/05/95/94/952059594.db2.gz ZTSRDHNAZHUFLW-NSHDSACASA-N -1 3 383.416 0.561 20 0 GCADHM C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1cnc[nH]c1=O)C1CC1 ZINC001575127894 952060933 /nfs/dbraw/zinc/06/09/33/952060933.db2.gz DDYRCYRTEQPKNI-MRXNPFEDSA-N -1 3 382.388 0.163 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575128251 952066606 /nfs/dbraw/zinc/06/66/06/952066606.db2.gz HDQBRYHTNKKGAM-WFASDCNBSA-N -1 3 386.460 0.920 20 0 GCADHM CC(C)N1C(=O)CC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575128251 952066612 /nfs/dbraw/zinc/06/66/12/952066612.db2.gz HDQBRYHTNKKGAM-WFASDCNBSA-N -1 3 386.460 0.920 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CCn1cnccc1=O ZINC001575129251 952078829 /nfs/dbraw/zinc/07/88/29/952078829.db2.gz RZUNXMVZFUGVAF-LBPRGKRZSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CCn1cnccc1=O ZINC001575129251 952078837 /nfs/dbraw/zinc/07/88/37/952078837.db2.gz RZUNXMVZFUGVAF-LBPRGKRZSA-N -1 3 383.416 0.168 20 0 GCADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575131730 952088587 /nfs/dbraw/zinc/08/85/87/952088587.db2.gz ATUPONTVHYPQEX-QWRGUYRKSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575132798 952097667 /nfs/dbraw/zinc/09/76/67/952097667.db2.gz BEZLVYAOOFEBIN-SKDRFNHKSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575132798 952097676 /nfs/dbraw/zinc/09/76/76/952097676.db2.gz BEZLVYAOOFEBIN-SKDRFNHKSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575132794 952098880 /nfs/dbraw/zinc/09/88/80/952098880.db2.gz BEZLVYAOOFEBIN-BXKDBHETSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575132794 952098888 /nfs/dbraw/zinc/09/88/88/952098888.db2.gz BEZLVYAOOFEBIN-BXKDBHETSA-N -1 3 376.396 0.288 20 0 GCADHM C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575136458 952125714 /nfs/dbraw/zinc/12/57/14/952125714.db2.gz VKZJXXFTKCKWTM-HNNXBMFYSA-N -1 3 387.429 0.829 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575137081 952134815 /nfs/dbraw/zinc/13/48/15/952134815.db2.gz TXVHNLQFJGTDEB-JTQLQIEISA-N -1 3 375.408 0.791 20 0 GCADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575137081 952134820 /nfs/dbraw/zinc/13/48/20/952134820.db2.gz TXVHNLQFJGTDEB-JTQLQIEISA-N -1 3 375.408 0.791 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575137088 952134948 /nfs/dbraw/zinc/13/49/48/952134948.db2.gz UBQIBWRLDCSQAN-QGHHPUGFSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575137088 952134951 /nfs/dbraw/zinc/13/49/51/952134951.db2.gz UBQIBWRLDCSQAN-QGHHPUGFSA-N -1 3 375.408 0.933 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575137338 952137185 /nfs/dbraw/zinc/13/71/85/952137185.db2.gz WTDWPWMGUGDLRS-ZJUUUORDSA-N -1 3 384.437 0.698 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575137338 952137187 /nfs/dbraw/zinc/13/71/87/952137187.db2.gz WTDWPWMGUGDLRS-ZJUUUORDSA-N -1 3 384.437 0.698 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nnn[n-]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575137407 952139099 /nfs/dbraw/zinc/13/90/99/952139099.db2.gz XZRVRPXCXMRNPW-SCLBCKFNSA-N -1 3 387.419 0.981 20 0 GCADHM C[C@](CNc1cccc(F)c1-c1nn[n-]n1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575137407 952139106 /nfs/dbraw/zinc/13/91/06/952139106.db2.gz XZRVRPXCXMRNPW-SCLBCKFNSA-N -1 3 387.419 0.981 20 0 GCADHM O=C([O-])Cn1cccc(C(=O)NCC2(O)CCN(Cc3ccccc3)CC2)c1=O ZINC001595154471 952157046 /nfs/dbraw/zinc/15/70/46/952157046.db2.gz HYALABMUUISTQH-UHFFFAOYSA-N -1 3 399.447 0.690 20 0 GCADHM C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575153863 952213538 /nfs/dbraw/zinc/21/35/38/952213538.db2.gz LQLZGXIRKHCPQS-HNNXBMFYSA-N -1 3 387.429 0.829 20 0 GCADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575153947 952214377 /nfs/dbraw/zinc/21/43/77/952214377.db2.gz MLWQIQCBZMSHAH-WDEREUQCSA-N -1 3 382.432 0.444 20 0 GCADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575154172 952216512 /nfs/dbraw/zinc/21/65/12/952216512.db2.gz PNJIDGYBONOFFE-MNOVXSKESA-N -1 3 382.432 0.444 20 0 GCADHM C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575154491 952224343 /nfs/dbraw/zinc/22/43/43/952224343.db2.gz RPLJYNOCCKBPFV-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)CCn1ccnc1)C1CC1 ZINC001575154491 952224348 /nfs/dbraw/zinc/22/43/48/952224348.db2.gz RPLJYNOCCKBPFV-QGZVFWFLSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575163566 952279648 /nfs/dbraw/zinc/27/96/48/952279648.db2.gz DIKYEZPENRAYQD-QMMMGPOBSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575163566 952279654 /nfs/dbraw/zinc/27/96/54/952279654.db2.gz DIKYEZPENRAYQD-QMMMGPOBSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575163576 952280506 /nfs/dbraw/zinc/28/05/06/952280506.db2.gz DPNCLKTUYHDSIZ-QGZVFWFLSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575163576 952280514 /nfs/dbraw/zinc/28/05/14/952280514.db2.gz DPNCLKTUYHDSIZ-QGZVFWFLSA-N -1 3 381.400 0.768 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575163711 952281890 /nfs/dbraw/zinc/28/18/90/952281890.db2.gz FBVYGWLXNRRWKN-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575163711 952281895 /nfs/dbraw/zinc/28/18/95/952281895.db2.gz FBVYGWLXNRRWKN-KRWDZBQOSA-N -1 3 382.432 0.640 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575163955 952282986 /nfs/dbraw/zinc/28/29/86/952282986.db2.gz AKTDNDLGXFHGMP-YUMQZZPRSA-N -1 3 381.828 0.231 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575163955 952282991 /nfs/dbraw/zinc/28/29/91/952282991.db2.gz AKTDNDLGXFHGMP-YUMQZZPRSA-N -1 3 381.828 0.231 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575163776 952283808 /nfs/dbraw/zinc/28/38/08/952283808.db2.gz GEHUESXSDBOBES-UWVGGRQHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575163776 952283812 /nfs/dbraw/zinc/28/38/12/952283812.db2.gz GEHUESXSDBOBES-UWVGGRQHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575163807 952284154 /nfs/dbraw/zinc/28/41/54/952284154.db2.gz GNNVASPWJGOTDO-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575163807 952284159 /nfs/dbraw/zinc/28/41/59/952284159.db2.gz GNNVASPWJGOTDO-BMLIUANNSA-N -1 3 390.423 0.576 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575164190 952287932 /nfs/dbraw/zinc/28/79/32/952287932.db2.gz JIPJHBODLLMFIJ-QMMMGPOBSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575164190 952287934 /nfs/dbraw/zinc/28/79/34/952287934.db2.gz JIPJHBODLLMFIJ-QMMMGPOBSA-N -1 3 388.363 0.665 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575164498 952293446 /nfs/dbraw/zinc/29/34/46/952293446.db2.gz LYYSSJATCALTKS-GXSJLCMTSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575164498 952293457 /nfs/dbraw/zinc/29/34/57/952293457.db2.gz LYYSSJATCALTKS-GXSJLCMTSA-N -1 3 376.396 0.138 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575164735 952299034 /nfs/dbraw/zinc/29/90/34/952299034.db2.gz NUOVUQCQSHABCR-AXFHLTTASA-N -1 3 390.423 0.561 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575164735 952299039 /nfs/dbraw/zinc/29/90/39/952299039.db2.gz NUOVUQCQSHABCR-AXFHLTTASA-N -1 3 390.423 0.561 20 0 GCADHM C[C@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)C1=COCCO1)C1CC1 ZINC001575164801 952299635 /nfs/dbraw/zinc/29/96/35/952299635.db2.gz HVJZXDPEVNJDIO-QGZVFWFLSA-N -1 3 389.391 0.986 20 0 GCADHM C[C@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)C1=COCCO1)C1CC1 ZINC001575164801 952299642 /nfs/dbraw/zinc/29/96/42/952299642.db2.gz HVJZXDPEVNJDIO-QGZVFWFLSA-N -1 3 389.391 0.986 20 0 GCADHM C[C@@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575165040 952302069 /nfs/dbraw/zinc/30/20/69/952302069.db2.gz QHCDUMBQFAYKPI-SGTLLEGYSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575165040 952302077 /nfs/dbraw/zinc/30/20/77/952302077.db2.gz QHCDUMBQFAYKPI-SGTLLEGYSA-N -1 3 384.444 0.627 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575165003 952302386 /nfs/dbraw/zinc/30/23/86/952302386.db2.gz QCNWQGJBDWKXBC-ZJUUUORDSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575165003 952302394 /nfs/dbraw/zinc/30/23/94/952302394.db2.gz QCNWQGJBDWKXBC-ZJUUUORDSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575164998 952303399 /nfs/dbraw/zinc/30/33/99/952303399.db2.gz QCNWQGJBDWKXBC-UWVGGRQHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575164998 952303406 /nfs/dbraw/zinc/30/34/06/952303406.db2.gz QCNWQGJBDWKXBC-UWVGGRQHSA-N -1 3 376.396 0.186 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575165138 952304120 /nfs/dbraw/zinc/30/41/20/952304120.db2.gz LVNWYIAZXJPXID-NXEZZACHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575165138 952304126 /nfs/dbraw/zinc/30/41/26/952304126.db2.gz LVNWYIAZXJPXID-NXEZZACHSA-N -1 3 392.851 0.700 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575165372 952307554 /nfs/dbraw/zinc/30/75/54/952307554.db2.gz SGKXHFORULDQHR-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001575165372 952307562 /nfs/dbraw/zinc/30/75/62/952307562.db2.gz SGKXHFORULDQHR-BBATYDOGSA-N -1 3 384.444 0.485 20 0 GCADHM C[C@](CNc1ncccc1-c1nnn[n-]1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575165990 952318589 /nfs/dbraw/zinc/31/85/89/952318589.db2.gz XXAMZVKQHKTHBR-SCLBCKFNSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@](CNc1ncccc1-c1nn[n-]n1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575165990 952318595 /nfs/dbraw/zinc/31/85/95/952318595.db2.gz XXAMZVKQHKTHBR-SCLBCKFNSA-N -1 3 387.444 0.764 20 0 GCADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)c1ncn(C)n1 ZINC001575166287 952323719 /nfs/dbraw/zinc/32/37/19/952323719.db2.gz UMYGKPMPMIDSBE-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)c1ncn(C)n1 ZINC001575166287 952323724 /nfs/dbraw/zinc/32/37/24/952323724.db2.gz UMYGKPMPMIDSBE-QMMMGPOBSA-N -1 3 376.812 0.616 20 0 GCADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)CCn1cncn1 ZINC001575166707 952327648 /nfs/dbraw/zinc/32/76/48/952327648.db2.gz XNMUOAALKIDRBC-SNVBAGLBSA-N -1 3 390.839 0.856 20 0 GCADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)CCn1cncn1 ZINC001575166707 952327654 /nfs/dbraw/zinc/32/76/54/952327654.db2.gz XNMUOAALKIDRBC-SNVBAGLBSA-N -1 3 390.839 0.856 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCCNC(=O)C1CC1 ZINC001575167497 952335564 /nfs/dbraw/zinc/33/55/64/952335564.db2.gz HLZFFMUWBHPEBN-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCCNC(=O)C1CC1 ZINC001575167497 952335569 /nfs/dbraw/zinc/33/55/69/952335569.db2.gz HLZFFMUWBHPEBN-LBPRGKRZSA-N -1 3 386.460 0.827 20 0 GCADHM CC(CO)(CO)NC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001575176508 952394790 /nfs/dbraw/zinc/39/47/90/952394790.db2.gz HSLAJRQUIRDLJC-UHFFFAOYSA-N -1 3 383.412 0.347 20 0 GCADHM CC(CO)(CO)NC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001575176508 952394797 /nfs/dbraw/zinc/39/47/97/952394797.db2.gz HSLAJRQUIRDLJC-UHFFFAOYSA-N -1 3 383.412 0.347 20 0 GCADHM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575180242 952416848 /nfs/dbraw/zinc/41/68/48/952416848.db2.gz UHVDKXITAOBHOF-SNVBAGLBSA-N -1 3 386.420 0.279 20 0 GCADHM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)c1cc(CN(C)C)on1 ZINC001575180240 952417185 /nfs/dbraw/zinc/41/71/85/952417185.db2.gz UHVDKXITAOBHOF-JTQLQIEISA-N -1 3 386.420 0.279 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001575184687 952421143 /nfs/dbraw/zinc/42/11/43/952421143.db2.gz ACPHWSKKEFEIAE-JTQLQIEISA-N -1 3 384.437 0.239 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001575184687 952421146 /nfs/dbraw/zinc/42/11/46/952421146.db2.gz ACPHWSKKEFEIAE-JTQLQIEISA-N -1 3 384.437 0.239 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575184745 952422540 /nfs/dbraw/zinc/42/25/40/952422540.db2.gz BLVFYLWYIYQNNK-GHMZBOCLSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575184745 952422547 /nfs/dbraw/zinc/42/25/47/952422547.db2.gz BLVFYLWYIYQNNK-GHMZBOCLSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575184738 952422812 /nfs/dbraw/zinc/42/28/12/952422812.db2.gz BKRXTHDMEJDNIF-MXWKQRLJSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575184738 952422813 /nfs/dbraw/zinc/42/28/13/952422813.db2.gz BKRXTHDMEJDNIF-MXWKQRLJSA-N -1 3 379.446 0.002 20 0 GCADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575185037 952427613 /nfs/dbraw/zinc/42/76/13/952427613.db2.gz KBFPWYWWFZNNOZ-GHMZBOCLSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001575185037 952427618 /nfs/dbraw/zinc/42/76/18/952427618.db2.gz KBFPWYWWFZNNOZ-GHMZBOCLSA-N -1 3 381.462 0.201 20 0 GCADHM C[C@H](CS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC001575185141 952429217 /nfs/dbraw/zinc/42/92/17/952429217.db2.gz LSPGHDPZQHWHHO-GFCCVEGCSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@H](CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC001575185141 952429222 /nfs/dbraw/zinc/42/92/22/952429222.db2.gz LSPGHDPZQHWHHO-GFCCVEGCSA-N -1 3 377.474 0.760 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001575185195 952430546 /nfs/dbraw/zinc/43/05/46/952430546.db2.gz MUPOBWWXTDWHRX-JTQLQIEISA-N -1 3 384.437 0.557 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001575185195 952430548 /nfs/dbraw/zinc/43/05/48/952430548.db2.gz MUPOBWWXTDWHRX-JTQLQIEISA-N -1 3 384.437 0.557 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575185677 952434922 /nfs/dbraw/zinc/43/49/22/952434922.db2.gz UMVAXXOMIVFVJX-VHSXEESVSA-N -1 3 384.437 0.603 20 0 GCADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575185677 952434926 /nfs/dbraw/zinc/43/49/26/952434926.db2.gz UMVAXXOMIVFVJX-VHSXEESVSA-N -1 3 384.437 0.603 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575185962 952436461 /nfs/dbraw/zinc/43/64/61/952436461.db2.gz XARPLDRCOCTXRD-IUODEOHRSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575185962 952436463 /nfs/dbraw/zinc/43/64/63/952436463.db2.gz XARPLDRCOCTXRD-IUODEOHRSA-N -1 3 392.485 0.238 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575187544 952442343 /nfs/dbraw/zinc/44/23/43/952442343.db2.gz CVEKVUBUFDDCCC-LLVKDONJSA-N -1 3 383.412 0.949 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575187544 952442347 /nfs/dbraw/zinc/44/23/47/952442347.db2.gz CVEKVUBUFDDCCC-LLVKDONJSA-N -1 3 383.412 0.949 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001575187960 952444480 /nfs/dbraw/zinc/44/44/80/952444480.db2.gz GGROYUTXSRMRDM-NSHDSACASA-N -1 3 381.396 0.331 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001575187960 952444485 /nfs/dbraw/zinc/44/44/85/952444485.db2.gz GGROYUTXSRMRDM-NSHDSACASA-N -1 3 381.396 0.331 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001575187958 952445314 /nfs/dbraw/zinc/44/53/14/952445314.db2.gz GGROYUTXSRMRDM-LLVKDONJSA-N -1 3 381.396 0.331 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001575187958 952445318 /nfs/dbraw/zinc/44/53/18/952445318.db2.gz GGROYUTXSRMRDM-LLVKDONJSA-N -1 3 381.396 0.331 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575188531 952449182 /nfs/dbraw/zinc/44/91/82/952449182.db2.gz JGJSXQOCLRBTRK-NWDGAFQWSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@@H](Cc1ccco1)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575188531 952449187 /nfs/dbraw/zinc/44/91/87/952449187.db2.gz JGJSXQOCLRBTRK-NWDGAFQWSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC001575189295 952454861 /nfs/dbraw/zinc/45/48/61/952454861.db2.gz NVYQDHJCHPORCJ-LLVKDONJSA-N -1 3 380.474 0.476 20 0 GCADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)CS(N)(=O)=O ZINC001575189295 952454868 /nfs/dbraw/zinc/45/48/68/952454868.db2.gz NVYQDHJCHPORCJ-LLVKDONJSA-N -1 3 380.474 0.476 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575189332 952455751 /nfs/dbraw/zinc/45/57/51/952455751.db2.gz NGXUGYXTMUUZNU-LLVKDONJSA-N -1 3 383.412 0.949 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575189332 952455753 /nfs/dbraw/zinc/45/57/53/952455753.db2.gz NGXUGYXTMUUZNU-LLVKDONJSA-N -1 3 383.412 0.949 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCC[C@@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571114546 952456210 /nfs/dbraw/zinc/45/62/10/952456210.db2.gz KQXHEWXZOYJVNY-SKDRFNHKSA-N -1 3 375.364 0.517 20 0 GCADHM O=C([C@@H]1COC(=O)N1)N1CCC[C@@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571114546 952456213 /nfs/dbraw/zinc/45/62/13/952456213.db2.gz KQXHEWXZOYJVNY-SKDRFNHKSA-N -1 3 375.364 0.517 20 0 GCADHM C[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001571114542 952456538 /nfs/dbraw/zinc/45/65/38/952456538.db2.gz KMJDIXBJJMVHEK-FBIMIBRVSA-N -1 3 375.364 0.055 20 0 GCADHM C[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001571114542 952456542 /nfs/dbraw/zinc/45/65/42/952456542.db2.gz KMJDIXBJJMVHEK-FBIMIBRVSA-N -1 3 375.364 0.055 20 0 GCADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@](C)(Cn1cccn1)C(N)=O ZINC001575190493 952462913 /nfs/dbraw/zinc/46/29/13/952462913.db2.gz SWTPYBIOBORBKO-SGTLLEGYSA-N -1 3 382.428 0.302 20 0 GCADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@](C)(Cn1cccn1)C(N)=O ZINC001575190493 952462919 /nfs/dbraw/zinc/46/29/19/952462919.db2.gz SWTPYBIOBORBKO-SGTLLEGYSA-N -1 3 382.428 0.302 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)C1=COCCO1 ZINC001571115649 952469026 /nfs/dbraw/zinc/46/90/26/952469026.db2.gz YXERFTXORAUTHA-JOYOIKCWSA-N -1 3 375.364 0.690 20 0 GCADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)C1=COCCO1 ZINC001571115649 952469029 /nfs/dbraw/zinc/46/90/29/952469029.db2.gz YXERFTXORAUTHA-JOYOIKCWSA-N -1 3 375.364 0.690 20 0 GCADHM CO[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001571116627 952475485 /nfs/dbraw/zinc/47/54/85/952475485.db2.gz ARBGXLBVMBDNNB-GXTWGEPZSA-N -1 3 375.433 0.539 20 0 GCADHM CO[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001571116627 952475489 /nfs/dbraw/zinc/47/54/89/952475489.db2.gz ARBGXLBVMBDNNB-GXTWGEPZSA-N -1 3 375.433 0.539 20 0 GCADHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)NCc1ccc(NS(C)(=O)=O)cc1 ZINC001571116622 952475634 /nfs/dbraw/zinc/47/56/34/952475634.db2.gz AOKZKBODKGAPLE-UHFFFAOYSA-N -1 3 375.414 0.805 20 0 GCADHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)NCc1ccc(NS(C)(=O)=O)cc1 ZINC001571116622 952475637 /nfs/dbraw/zinc/47/56/37/952475637.db2.gz AOKZKBODKGAPLE-UHFFFAOYSA-N -1 3 375.414 0.805 20 0 GCADHM O=C(NC[C@@H]1COCCN1CC[C@H]1CCOC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571116604 952475646 /nfs/dbraw/zinc/47/56/46/952475646.db2.gz AHWSKHICAXKDEF-GXTWGEPZSA-N -1 3 375.433 0.052 20 0 GCADHM O=C(NC[C@@H]1COCCN1CC[C@H]1CCOC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571116604 952475647 /nfs/dbraw/zinc/47/56/47/952475647.db2.gz AHWSKHICAXKDEF-GXTWGEPZSA-N -1 3 375.433 0.052 20 0 GCADHM CS(=O)(=O)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)C1 ZINC001571117169 952479081 /nfs/dbraw/zinc/47/90/81/952479081.db2.gz HSGXGIWDKAOHJS-TUKIKUTGSA-N -1 3 375.454 0.863 20 0 GCADHM CS(=O)(=O)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)C1 ZINC001571117169 952479087 /nfs/dbraw/zinc/47/90/87/952479087.db2.gz HSGXGIWDKAOHJS-TUKIKUTGSA-N -1 3 375.454 0.863 20 0 GCADHM CC(C)Oc1cncc(S(=O)(=O)NCc2cncc(-c3nnn[n-]3)c2)c1 ZINC001571117160 952479311 /nfs/dbraw/zinc/47/93/11/952479311.db2.gz HLABHCUXOAKKNJ-UHFFFAOYSA-N -1 3 375.414 0.922 20 0 GCADHM CC(C)Oc1cncc(S(=O)(=O)NCc2cncc(-c3nn[n-]n3)c2)c1 ZINC001571117160 952479314 /nfs/dbraw/zinc/47/93/14/952479314.db2.gz HLABHCUXOAKKNJ-UHFFFAOYSA-N -1 3 375.414 0.922 20 0 GCADHM CC[C@H](C)C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571117128 952479383 /nfs/dbraw/zinc/47/93/83/952479383.db2.gz HBJJFJOYOAGXGY-AAEUAGOBSA-N -1 3 375.433 0.588 20 0 GCADHM CC[C@H](C)C(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571117128 952479386 /nfs/dbraw/zinc/47/93/86/952479386.db2.gz HBJJFJOYOAGXGY-AAEUAGOBSA-N -1 3 375.433 0.588 20 0 GCADHM CS[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571117038 952479496 /nfs/dbraw/zinc/47/94/96/952479496.db2.gz GGJALLVFUOHQMC-JTQLQIEISA-N -1 3 375.458 0.621 20 0 GCADHM CS[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571117038 952479498 /nfs/dbraw/zinc/47/94/98/952479498.db2.gz GGJALLVFUOHQMC-JTQLQIEISA-N -1 3 375.458 0.621 20 0 GCADHM CC[C@H](C)C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571117133 952479771 /nfs/dbraw/zinc/47/97/71/952479771.db2.gz HBJJFJOYOAGXGY-WCQYABFASA-N -1 3 375.433 0.588 20 0 GCADHM CC[C@H](C)C(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571117133 952479774 /nfs/dbraw/zinc/47/97/74/952479774.db2.gz HBJJFJOYOAGXGY-WCQYABFASA-N -1 3 375.433 0.588 20 0 GCADHM Cc1nsc(N2CCC[C@H](NC(=O)c3cnon3)CC2)c1-c1nnn[n-]1 ZINC001571117304 952480427 /nfs/dbraw/zinc/48/04/27/952480427.db2.gz IUDUILLLVREZRF-VIFPVBQESA-N -1 3 375.418 0.804 20 0 GCADHM Cc1nc(-c2nnn[n-]2)n(CC(=O)c2ccc(NS(C)(=O)=O)cc2)c1C ZINC001571117308 952480850 /nfs/dbraw/zinc/48/08/50/952480850.db2.gz IVIGEASIYRPCOA-UHFFFAOYSA-N -1 3 375.414 0.934 20 0 GCADHM CO[C@@H](C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571117331 952480944 /nfs/dbraw/zinc/48/09/44/952480944.db2.gz JNPWUDWSNNFCBX-QWHCGFSZSA-N -1 3 375.433 0.634 20 0 GCADHM CO[C@@H](C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571117331 952480948 /nfs/dbraw/zinc/48/09/48/952480948.db2.gz JNPWUDWSNNFCBX-QWHCGFSZSA-N -1 3 375.433 0.634 20 0 GCADHM CCC1(CC)CNC(=O)[C@@H]1NCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC001571117306 952481138 /nfs/dbraw/zinc/48/11/38/952481138.db2.gz IUTIROBTQDAMQQ-ZDUSSCGKSA-N -1 3 375.433 0.909 20 0 GCADHM CCC1(CC)CNC(=O)[C@@H]1NCC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1 ZINC001571117306 952481139 /nfs/dbraw/zinc/48/11/39/952481139.db2.gz IUTIROBTQDAMQQ-ZDUSSCGKSA-N -1 3 375.433 0.909 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571117515 952482007 /nfs/dbraw/zinc/48/20/07/952482007.db2.gz LVVVPIQTDNSWAW-YWPYICTPSA-N -1 3 375.433 0.572 20 0 GCADHM CCO[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571117515 952482009 /nfs/dbraw/zinc/48/20/09/952482009.db2.gz LVVVPIQTDNSWAW-YWPYICTPSA-N -1 3 375.433 0.572 20 0 GCADHM CC[C@H](C)C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571117656 952483034 /nfs/dbraw/zinc/48/30/34/952483034.db2.gz OGESLWBYPYHHSC-AAEUAGOBSA-N -1 3 375.433 0.588 20 0 GCADHM CC[C@H](C)C(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571117656 952483038 /nfs/dbraw/zinc/48/30/38/952483038.db2.gz OGESLWBYPYHHSC-AAEUAGOBSA-N -1 3 375.433 0.588 20 0 GCADHM CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001571117638 952483046 /nfs/dbraw/zinc/48/30/46/952483046.db2.gz NZWZUUWFFKQPGY-ZWNOBZJWSA-N -1 3 375.433 0.323 20 0 GCADHM CCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001571117638 952483050 /nfs/dbraw/zinc/48/30/50/952483050.db2.gz NZWZUUWFFKQPGY-ZWNOBZJWSA-N -1 3 375.433 0.323 20 0 GCADHM CC[C@@H](F)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001571117815 952484654 /nfs/dbraw/zinc/48/46/54/952484654.db2.gz QXCNFEJLIKBFMZ-KGYLQXTDSA-N -1 3 375.408 0.863 20 0 GCADHM CC[C@@H](F)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001571117815 952484658 /nfs/dbraw/zinc/48/46/58/952484658.db2.gz QXCNFEJLIKBFMZ-KGYLQXTDSA-N -1 3 375.408 0.863 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)[C@@]3(F)CCOC3)C2)ccc1-c1nnn[n-]1 ZINC001571117736 952484666 /nfs/dbraw/zinc/48/46/66/952484666.db2.gz PNLDOOUFFFWWJW-YVEFUNNKSA-N -1 3 375.408 0.784 20 0 GCADHM Cc1nc(N2CCC[C@H](NC(=O)[C@@]3(F)CCOC3)C2)ccc1-c1nn[n-]n1 ZINC001571117736 952484671 /nfs/dbraw/zinc/48/46/71/952484671.db2.gz PNLDOOUFFFWWJW-YVEFUNNKSA-N -1 3 375.408 0.784 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575197399 952484712 /nfs/dbraw/zinc/48/47/12/952484712.db2.gz VJMNLHVPADYDDX-NEPJUHHUSA-N -1 3 383.412 0.997 20 0 GCADHM CC(C)[C@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571117721 952484740 /nfs/dbraw/zinc/48/47/40/952484740.db2.gz PHCHMARAAYZIMK-GDLCADMTSA-N -1 3 375.408 0.862 20 0 GCADHM CC(C)[C@H](F)C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571117721 952484746 /nfs/dbraw/zinc/48/47/46/952484746.db2.gz PHCHMARAAYZIMK-GDLCADMTSA-N -1 3 375.408 0.862 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575197399 952484717 /nfs/dbraw/zinc/48/47/17/952484717.db2.gz VJMNLHVPADYDDX-NEPJUHHUSA-N -1 3 383.412 0.997 20 0 GCADHM CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)C1 ZINC001571118053 952485573 /nfs/dbraw/zinc/48/55/73/952485573.db2.gz TVNNKSHNBSDTDS-BXUZGUMPSA-N -1 3 375.408 0.031 20 0 GCADHM CN1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)C1 ZINC001571118053 952485576 /nfs/dbraw/zinc/48/55/76/952485576.db2.gz TVNNKSHNBSDTDS-BXUZGUMPSA-N -1 3 375.408 0.031 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571118021 952485660 /nfs/dbraw/zinc/48/56/60/952485660.db2.gz RYDDRRSXERJVSZ-SJKOYZFVSA-N -1 3 375.408 0.784 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)[C@@]3(F)CCOC3)C2)n1 ZINC001571118021 952485665 /nfs/dbraw/zinc/48/56/65/952485665.db2.gz RYDDRRSXERJVSZ-SJKOYZFVSA-N -1 3 375.408 0.784 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575197592 952485672 /nfs/dbraw/zinc/48/56/72/952485672.db2.gz XIORBDWMXBVCIG-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575197592 952485678 /nfs/dbraw/zinc/48/56/78/952485678.db2.gz XIORBDWMXBVCIG-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571118060 952485941 /nfs/dbraw/zinc/48/59/41/952485941.db2.gz TXLYLCSLQSWWCW-TZMCWYRMSA-N -1 3 375.433 0.323 20 0 GCADHM CC(C)[C@@H](O)C(=O)N1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571118060 952485944 /nfs/dbraw/zinc/48/59/44/952485944.db2.gz TXLYLCSLQSWWCW-TZMCWYRMSA-N -1 3 375.433 0.323 20 0 GCADHM Cc1[nH]nc(NC(=O)CCc2ccc(S(C)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC001571118052 952485990 /nfs/dbraw/zinc/48/59/90/952485990.db2.gz TVFJSUASGPQKQL-UHFFFAOYSA-N -1 3 375.414 0.873 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2O)on1 ZINC001571118597 952487900 /nfs/dbraw/zinc/48/79/00/952487900.db2.gz XLWXMAFBJDDPGO-MNOVXSKESA-N -1 3 375.414 0.200 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2O)on1 ZINC001571118597 952487903 /nfs/dbraw/zinc/48/79/03/952487903.db2.gz XLWXMAFBJDDPGO-MNOVXSKESA-N -1 3 375.414 0.200 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575199267 952488108 /nfs/dbraw/zinc/48/81/08/952488108.db2.gz BDJOFYMZXRPPAE-IUODEOHRSA-N -1 3 381.444 0.887 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575199267 952488111 /nfs/dbraw/zinc/48/81/11/952488111.db2.gz BDJOFYMZXRPPAE-IUODEOHRSA-N -1 3 381.444 0.887 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001571118582 952488321 /nfs/dbraw/zinc/48/83/21/952488321.db2.gz XIGODHJCCNSHNC-MNOVXSKESA-N -1 3 375.414 0.200 20 0 GCADHM Cc1cnoc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001571118582 952488330 /nfs/dbraw/zinc/48/83/30/952488330.db2.gz XIGODHJCCNSHNC-MNOVXSKESA-N -1 3 375.414 0.200 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC001571118765 952489569 /nfs/dbraw/zinc/48/95/69/952489569.db2.gz ZSUNCJHZCQVLMD-YPMHNXCESA-N -1 3 375.408 0.865 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC001571118765 952489573 /nfs/dbraw/zinc/48/95/73/952489573.db2.gz ZSUNCJHZCQVLMD-YPMHNXCESA-N -1 3 375.408 0.865 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575199640 952489908 /nfs/dbraw/zinc/48/99/08/952489908.db2.gz DSXGNZVOGOMFJH-AAEUAGOBSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575199640 952489912 /nfs/dbraw/zinc/48/99/12/952489912.db2.gz DSXGNZVOGOMFJH-AAEUAGOBSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575199653 952490046 /nfs/dbraw/zinc/49/00/46/952490046.db2.gz DTHNLKIESFGFGI-NSHDSACASA-N -1 3 382.432 0.344 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575199653 952490050 /nfs/dbraw/zinc/49/00/50/952490050.db2.gz DTHNLKIESFGFGI-NSHDSACASA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575199976 952491656 /nfs/dbraw/zinc/49/16/56/952491656.db2.gz GJWMQLMMQYKAQS-VXGBXAGGSA-N -1 3 382.432 0.344 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575199976 952491662 /nfs/dbraw/zinc/49/16/62/952491662.db2.gz GJWMQLMMQYKAQS-VXGBXAGGSA-N -1 3 382.432 0.344 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](CO)C[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC001571119751 952493432 /nfs/dbraw/zinc/49/34/32/952493432.db2.gz FJZJSNCCNLZKPP-QWHCGFSZSA-N -1 3 376.417 0.605 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](CO)C[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC001571119751 952493436 /nfs/dbraw/zinc/49/34/36/952493436.db2.gz FJZJSNCCNLZKPP-QWHCGFSZSA-N -1 3 376.417 0.605 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](CO)C[C@@H]2CCCO2)cc1-c1nnn[n-]1 ZINC001571119753 952494564 /nfs/dbraw/zinc/49/45/64/952494564.db2.gz FJZJSNCCNLZKPP-STQMWFEESA-N -1 3 376.417 0.605 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](CO)C[C@@H]2CCCO2)cc1-c1nn[n-]n1 ZINC001571119753 952494570 /nfs/dbraw/zinc/49/45/70/952494570.db2.gz FJZJSNCCNLZKPP-STQMWFEESA-N -1 3 376.417 0.605 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001575200350 952495527 /nfs/dbraw/zinc/49/55/27/952495527.db2.gz ISGMZTJENUWDEY-MISXGVKJSA-N -1 3 382.432 0.200 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CN(c2cncc(-c3nn[n-]n3)n2)C[C@H]1C ZINC001575200350 952495533 /nfs/dbraw/zinc/49/55/33/952495533.db2.gz ISGMZTJENUWDEY-MISXGVKJSA-N -1 3 382.432 0.200 20 0 GCADHM CN(C(=O)[C@@H]1COCCO1)C1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571119879 952495584 /nfs/dbraw/zinc/49/55/84/952495584.db2.gz GFZSDMBFSUHBLW-HNNXBMFYSA-N -1 3 376.392 0.064 20 0 GCADHM CN(C(=O)[C@@H]1COCCO1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571119879 952495589 /nfs/dbraw/zinc/49/55/89/952495589.db2.gz GFZSDMBFSUHBLW-HNNXBMFYSA-N -1 3 376.392 0.064 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575200408 952495923 /nfs/dbraw/zinc/49/59/23/952495923.db2.gz JDAQPPKPGHDGMZ-NEPJUHHUSA-N -1 3 382.432 0.344 20 0 GCADHM Cc1cnccc1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571119799 952495965 /nfs/dbraw/zinc/49/59/65/952495965.db2.gz FZKFQCSXDJCEFN-HWWDLCQESA-N -1 3 376.424 0.759 20 0 GCADHM Cc1cnccc1CC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571119799 952495968 /nfs/dbraw/zinc/49/59/68/952495968.db2.gz FZKFQCSXDJCEFN-HWWDLCQESA-N -1 3 376.424 0.759 20 0 GCADHM O=C(N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@H]1COCCO1 ZINC001571120245 952502751 /nfs/dbraw/zinc/50/27/51/952502751.db2.gz KKVBCANTDQFSOB-DZGCQCFKSA-N -1 3 376.392 0.112 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001575201509 952503878 /nfs/dbraw/zinc/50/38/78/952503878.db2.gz PQYSFRNOLGEBEI-SRVKXCTJSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001575201509 952503880 /nfs/dbraw/zinc/50/38/80/952503880.db2.gz PQYSFRNOLGEBEI-SRVKXCTJSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575201672 952507055 /nfs/dbraw/zinc/50/70/55/952507055.db2.gz KCLQEQTZLHSROZ-WCQYABFASA-N -1 3 382.432 0.296 20 0 GCADHM C[C@@H](Cc1c[nH]cn1)C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575201672 952507059 /nfs/dbraw/zinc/50/70/59/952507059.db2.gz KCLQEQTZLHSROZ-WCQYABFASA-N -1 3 382.432 0.296 20 0 GCADHM O=C(c1cc(C(F)F)n[nH]1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571120692 952507326 /nfs/dbraw/zinc/50/73/26/952507326.db2.gz NZQFUMBEPYLHNG-ZETCQYMHSA-N -1 3 376.331 0.644 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575202193 952511448 /nfs/dbraw/zinc/51/14/48/952511448.db2.gz TVEXNMAJVLNHHD-IUODEOHRSA-N -1 3 382.428 0.854 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575202193 952511451 /nfs/dbraw/zinc/51/14/51/952511451.db2.gz TVEXNMAJVLNHHD-IUODEOHRSA-N -1 3 382.428 0.854 20 0 GCADHM O=S(=O)(N[C@H]1COc2cc(F)ccc2C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571120959 952511873 /nfs/dbraw/zinc/51/18/73/952511873.db2.gz SGUNNWXOYAXTCE-GFCCVEGCSA-N -1 3 376.373 0.683 20 0 GCADHM O=S(=O)(N[C@H]1COc2cc(F)ccc2C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571120959 952511879 /nfs/dbraw/zinc/51/18/79/952511879.db2.gz SGUNNWXOYAXTCE-GFCCVEGCSA-N -1 3 376.373 0.683 20 0 GCADHM COC(=O)c1cc(C(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)n(C)n1 ZINC001571121173 952516034 /nfs/dbraw/zinc/51/60/34/952516034.db2.gz XOFPGIRBYAHALI-UHFFFAOYSA-N -1 3 375.776 0.970 20 0 GCADHM COC(=O)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)n(C)n1 ZINC001571121173 952516041 /nfs/dbraw/zinc/51/60/41/952516041.db2.gz XOFPGIRBYAHALI-UHFFFAOYSA-N -1 3 375.776 0.970 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CNc1cncc(-c2nnn[n-]2)n1)C1CC1 ZINC001575203348 952521189 /nfs/dbraw/zinc/52/11/89/952521189.db2.gz ULCCZNCWEQQPPD-MFKMUULPSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CNc1cncc(-c2nn[n-]n2)n1)C1CC1 ZINC001575203348 952521192 /nfs/dbraw/zinc/52/11/92/952521192.db2.gz ULCCZNCWEQQPPD-MFKMUULPSA-N -1 3 382.432 0.565 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001575203543 952523734 /nfs/dbraw/zinc/52/37/34/952523734.db2.gz ZORIZMYVHQVCHH-DGCLKSJQSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575203543 952523740 /nfs/dbraw/zinc/52/37/40/952523740.db2.gz ZORIZMYVHQVCHH-DGCLKSJQSA-N -1 3 382.432 0.083 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](N(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001575203491 952524335 /nfs/dbraw/zinc/52/43/35/952524335.db2.gz YMLLGCKYTFEDDC-YPMHNXCESA-N -1 3 382.432 0.296 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001575203491 952524338 /nfs/dbraw/zinc/52/43/38/952524338.db2.gz YMLLGCKYTFEDDC-YPMHNXCESA-N -1 3 382.432 0.296 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571123069 952527906 /nfs/dbraw/zinc/52/79/06/952527906.db2.gz NNPIVAKBFFFXND-NSHDSACASA-N -1 3 376.446 0.053 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571123069 952527908 /nfs/dbraw/zinc/52/79/08/952527908.db2.gz NNPIVAKBFFFXND-NSHDSACASA-N -1 3 376.446 0.053 20 0 GCADHM C[C@](Cn1cccn1)(NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(N)=O ZINC001575206728 952530334 /nfs/dbraw/zinc/53/03/34/952530334.db2.gz LNESJFQVZAOPHX-OAHLLOKOSA-N -1 3 376.327 0.015 20 0 GCADHM C[C@](Cn1cccn1)(NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(N)=O ZINC001575206728 952530339 /nfs/dbraw/zinc/53/03/39/952530339.db2.gz LNESJFQVZAOPHX-OAHLLOKOSA-N -1 3 376.327 0.015 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cc(C)c1CS(=O)(=O)N[C@@H](C)c1ncnn1C ZINC001571123408 952530371 /nfs/dbraw/zinc/53/03/71/952530371.db2.gz RLCQVVBNVZWCJE-NSHDSACASA-N -1 3 376.446 0.793 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1CS(=O)(=O)N[C@@H](C)c1ncnn1C ZINC001571123408 952530377 /nfs/dbraw/zinc/53/03/77/952530377.db2.gz RLCQVVBNVZWCJE-NSHDSACASA-N -1 3 376.446 0.793 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575206607 952530968 /nfs/dbraw/zinc/53/09/68/952530968.db2.gz KJINUDWIKNOJOO-MRVWCRGKSA-N -1 3 381.444 0.933 20 0 GCADHM C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575206607 952530971 /nfs/dbraw/zinc/53/09/71/952530971.db2.gz KJINUDWIKNOJOO-MRVWCRGKSA-N -1 3 381.444 0.933 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(C[C@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575206973 952532017 /nfs/dbraw/zinc/53/20/17/952532017.db2.gz MQTDUUTTZCAWCF-LLVKDONJSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(C[C@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575206973 952532022 /nfs/dbraw/zinc/53/20/22/952532022.db2.gz MQTDUUTTZCAWCF-LLVKDONJSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(C[C@@H]2NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575206975 952532597 /nfs/dbraw/zinc/53/25/97/952532597.db2.gz MQTDUUTTZCAWCF-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N1CCC2(C[C@@H]2NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575206975 952532601 /nfs/dbraw/zinc/53/26/01/952532601.db2.gz MQTDUUTTZCAWCF-NSHDSACASA-N -1 3 379.371 0.961 20 0 GCADHM O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001571124368 952536890 /nfs/dbraw/zinc/53/68/90/952536890.db2.gz GWRASYLIAVAOLC-AWEZNQCLSA-N -1 3 377.364 0.946 20 0 GCADHM O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001571124368 952536893 /nfs/dbraw/zinc/53/68/93/952536893.db2.gz GWRASYLIAVAOLC-AWEZNQCLSA-N -1 3 377.364 0.946 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575207971 952536947 /nfs/dbraw/zinc/53/69/47/952536947.db2.gz XNVZLMMITRZJGJ-QWHCGFSZSA-N -1 3 383.460 0.815 20 0 GCADHM C[C@H](CNC(=O)[C@@H](C)Cc1cnn(C)c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575207971 952536953 /nfs/dbraw/zinc/53/69/53/952536953.db2.gz XNVZLMMITRZJGJ-QWHCGFSZSA-N -1 3 383.460 0.815 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@]2(CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001575207942 952537435 /nfs/dbraw/zinc/53/74/35/952537435.db2.gz WWIDVJQRXNZODN-INIZCTEOSA-N -1 3 379.371 0.915 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@]2(CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001575207942 952537439 /nfs/dbraw/zinc/53/74/39/952537439.db2.gz WWIDVJQRXNZODN-INIZCTEOSA-N -1 3 379.371 0.915 20 0 GCADHM O=C(NCC1CN(Cc2nccn2C(F)F)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571124403 952538540 /nfs/dbraw/zinc/53/85/40/952538540.db2.gz HTNKQTFBPZLXRR-UHFFFAOYSA-N -1 3 377.359 0.648 20 0 GCADHM O=C(NCC1CN(Cc2nccn2C(F)F)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571124403 952538549 /nfs/dbraw/zinc/53/85/49/952538549.db2.gz HTNKQTFBPZLXRR-UHFFFAOYSA-N -1 3 377.359 0.648 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc32)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571124409 952538737 /nfs/dbraw/zinc/53/87/37/952538737.db2.gz IBECPWZIAYDYFF-GXTWGEPZSA-N -1 3 377.408 0.865 20 0 GCADHM O=C(N[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc32)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571124409 952538743 /nfs/dbraw/zinc/53/87/43/952538743.db2.gz IBECPWZIAYDYFF-GXTWGEPZSA-N -1 3 377.408 0.865 20 0 GCADHM COc1ccc(NC(=O)N2CCC([C@H](F)C(N)=O)CC2)cc1-c1nnn[n-]1 ZINC001571124699 952542379 /nfs/dbraw/zinc/54/23/79/952542379.db2.gz RNEUXHZWOODFTQ-ZDUSSCGKSA-N -1 3 377.380 0.943 20 0 GCADHM COc1ccc(NC(=O)N2CCC([C@H](F)C(N)=O)CC2)cc1-c1nn[n-]n1 ZINC001571124699 952542386 /nfs/dbraw/zinc/54/23/86/952542386.db2.gz RNEUXHZWOODFTQ-ZDUSSCGKSA-N -1 3 377.380 0.943 20 0 GCADHM CC(F)(F)C(=O)NC[C@@H]1COCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575211254 952545308 /nfs/dbraw/zinc/54/53/08/952545308.db2.gz 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O=C(c1cncnc1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571127137 952550002 /nfs/dbraw/zinc/55/00/02/952550002.db2.gz GYRONIWMRNLPAG-WBMJQRKESA-N -1 3 377.412 0.793 20 0 GCADHM O=C(c1cncnc1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571127137 952550003 /nfs/dbraw/zinc/55/00/03/952550003.db2.gz GYRONIWMRNLPAG-WBMJQRKESA-N -1 3 377.412 0.793 20 0 GCADHM O=C(c1ncccn1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571127112 952550545 /nfs/dbraw/zinc/55/05/45/952550545.db2.gz GJWRHGZQVBCSJR-ZIAGYGMSSA-N -1 3 377.412 0.935 20 0 GCADHM O=C(c1ncccn1)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571127112 952550548 /nfs/dbraw/zinc/55/05/48/952550548.db2.gz GJWRHGZQVBCSJR-ZIAGYGMSSA-N -1 3 377.412 0.935 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3CN(C(=O)c4ncccn4)C[C@@H]3C2)n1 ZINC001571127175 952551137 /nfs/dbraw/zinc/55/11/37/952551137.db2.gz HOCAYVNOCXBXQS-BETUJISGSA-N -1 3 377.412 0.569 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3CN(C(=O)c4ncccn4)C[C@@H]3C2)n1 ZINC001571127175 952551141 /nfs/dbraw/zinc/55/11/41/952551141.db2.gz HOCAYVNOCXBXQS-BETUJISGSA-N -1 3 377.412 0.569 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575212243 952552282 /nfs/dbraw/zinc/55/22/82/952552282.db2.gz FSNUIYZDVROXLU-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575212243 952552286 /nfs/dbraw/zinc/55/22/86/952552286.db2.gz FSNUIYZDVROXLU-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575212625 952555320 /nfs/dbraw/zinc/55/53/20/952555320.db2.gz MJYVACZZKZPPBZ-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575212625 952555322 /nfs/dbraw/zinc/55/53/22/952555322.db2.gz MJYVACZZKZPPBZ-BXKDBHETSA-N -1 3 379.371 0.913 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](Nc2snc(C)c2-c2nnn[n-]2)C1 ZINC001571127508 952556863 /nfs/dbraw/zinc/55/68/63/952556863.db2.gz LIGOWGRNXDZCGU-XKNYDFJKSA-N -1 3 377.430 0.500 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1CC12CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC001575213341 952557516 /nfs/dbraw/zinc/55/75/16/952557516.db2.gz SLMLDAGYPLVKRJ-LLVKDONJSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(=O)N[C@@H]1CC12CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC001575213341 952557519 /nfs/dbraw/zinc/55/75/19/952557519.db2.gz SLMLDAGYPLVKRJ-LLVKDONJSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575213569 952559323 /nfs/dbraw/zinc/55/93/23/952559323.db2.gz AVSCWLZBRVYAJX-MRVPVSSYSA-N -1 3 385.375 0.083 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575213569 952559329 /nfs/dbraw/zinc/55/93/29/952559329.db2.gz AVSCWLZBRVYAJX-MRVPVSSYSA-N -1 3 385.375 0.083 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3[C@@H](CNC(=O)c4ncccn4)[C@@H]3C2)n1 ZINC001571127720 952559772 /nfs/dbraw/zinc/55/97/72/952559772.db2.gz MHIZIBLMEOTOFR-ZSOGYDGISA-N -1 3 377.412 0.472 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3[C@@H](CNC(=O)c4ncccn4)[C@@H]3C2)n1 ZINC001571127720 952559779 /nfs/dbraw/zinc/55/97/79/952559779.db2.gz MHIZIBLMEOTOFR-ZSOGYDGISA-N -1 3 377.412 0.472 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)CC(C)(C)O)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571127767 952559979 /nfs/dbraw/zinc/55/99/79/952559979.db2.gz MURGADUJQWIGFF-NSHDSACASA-N -1 3 377.424 0.847 20 0 GCADHM CN(C[C@@H]1CCN(C(=O)CC(C)(C)O)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571127767 952559986 /nfs/dbraw/zinc/55/99/86/952559986.db2.gz MURGADUJQWIGFF-NSHDSACASA-N -1 3 377.424 0.847 20 0 GCADHM Cc1nsc(N2C[C@@H](NC(=O)CC3CCCC3)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571127910 952562190 /nfs/dbraw/zinc/56/21/90/952562190.db2.gz MMUCQNXLKVEJIX-NEPJUHHUSA-N -1 3 377.474 0.878 20 0 GCADHM C[C@]12CN(C[C@H](O)c3cccc(-c4nn[n-]n4)c3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001571127902 952562514 /nfs/dbraw/zinc/56/25/14/952562514.db2.gz MGSOFNCVCNPULQ-BHYGNILZSA-N -1 3 377.470 0.657 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC[C@@H]21 ZINC001575214529 952565509 /nfs/dbraw/zinc/56/55/09/952565509.db2.gz ZBGQCXBYYWHNGZ-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM CC(F)(F)C(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC[C@@H]21 ZINC001575214529 952565512 /nfs/dbraw/zinc/56/55/12/952565512.db2.gz ZBGQCXBYYWHNGZ-SKDRFNHKSA-N -1 3 379.371 0.913 20 0 GCADHM Cc1nsc(N(C)C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC001571128349 952566388 /nfs/dbraw/zinc/56/63/88/952566388.db2.gz RIQDQFULVMJZID-NWDGAFQWSA-N -1 3 377.474 0.953 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001575215536 952569687 /nfs/dbraw/zinc/56/96/87/952569687.db2.gz VMEXBFRXABIBSI-GHMZBOCLSA-N -1 3 381.387 0.609 20 0 GCADHM CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001575215536 952569691 /nfs/dbraw/zinc/56/96/91/952569691.db2.gz VMEXBFRXABIBSI-GHMZBOCLSA-N -1 3 381.387 0.609 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575221640 952569957 /nfs/dbraw/zinc/56/99/57/952569957.db2.gz AHZPZIORPYCLJI-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM CC(F)(F)C1(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575221640 952569963 /nfs/dbraw/zinc/56/99/63/952569963.db2.gz AHZPZIORPYCLJI-SNVBAGLBSA-N -1 3 379.371 0.961 20 0 GCADHM COc1ccc(NC(=O)NC[C@@]2(OCCO)CCOC2)cc1-c1nnn[n-]1 ZINC001571129235 952574270 /nfs/dbraw/zinc/57/42/70/952574270.db2.gz BNIYGDWQSXQRTF-INIZCTEOSA-N -1 3 378.389 0.165 20 0 GCADHM COc1ccc(NC(=O)NC[C@@]2(OCCO)CCOC2)cc1-c1nn[n-]n1 ZINC001571129235 952574274 /nfs/dbraw/zinc/57/42/74/952574274.db2.gz BNIYGDWQSXQRTF-INIZCTEOSA-N -1 3 378.389 0.165 20 0 GCADHM Cc1nnc([C@H]2CCN(S(=O)(=O)c3cc(F)cc(-c4nn[n-]n4)c3)C2)[nH]1 ZINC001571129979 952577301 /nfs/dbraw/zinc/57/73/01/952577301.db2.gz MIGMUSAKCDZXBX-VIFPVBQESA-N -1 3 378.393 0.611 20 0 GCADHM CN(CCNc1ncncc1-c1nnn[n-]1)S(=O)(=O)c1ccc(F)cc1 ZINC001571130526 952580363 /nfs/dbraw/zinc/58/03/63/952580363.db2.gz SJJXHTIKHAOHRW-UHFFFAOYSA-N -1 3 378.393 0.528 20 0 GCADHM CN1C(=O)Cc2cc(CNC(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC001571130708 952581639 /nfs/dbraw/zinc/58/16/39/952581639.db2.gz UULOPAQZEZLKPR-KRWDZBQOSA-N -1 3 378.392 0.735 20 0 GCADHM CN1C(=O)Cc2cc(CNC(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001571130708 952581641 /nfs/dbraw/zinc/58/16/41/952581641.db2.gz UULOPAQZEZLKPR-KRWDZBQOSA-N -1 3 378.392 0.735 20 0 GCADHM CN(C(=O)c1cnn2c1CCC2)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571134568 952592268 /nfs/dbraw/zinc/59/22/68/952592268.db2.gz HCDXPEKLBSNDNB-UHFFFAOYSA-N -1 3 378.440 0.966 20 0 GCADHM CN(C(=O)c1cnn2c1CCC2)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571134568 952592270 /nfs/dbraw/zinc/59/22/70/952592270.db2.gz HCDXPEKLBSNDNB-UHFFFAOYSA-N -1 3 378.440 0.966 20 0 GCADHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001571135823 952609106 /nfs/dbraw/zinc/60/91/06/952609106.db2.gz FICTWYUWIQJIHV-OAHLLOKOSA-N -1 3 378.414 0.480 20 0 GCADHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC001571135823 952609109 /nfs/dbraw/zinc/60/91/09/952609109.db2.gz FICTWYUWIQJIHV-OAHLLOKOSA-N -1 3 378.414 0.480 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccncc1 ZINC001571135871 952609718 /nfs/dbraw/zinc/60/97/18/952609718.db2.gz GSJFPYOGPOJKNN-DFBGVHRSSA-N -1 3 378.396 0.765 20 0 GCADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccncc1 ZINC001571135871 952609721 /nfs/dbraw/zinc/60/97/21/952609721.db2.gz GSJFPYOGPOJKNN-DFBGVHRSSA-N -1 3 378.396 0.765 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC001571135996 952611128 /nfs/dbraw/zinc/61/11/28/952611128.db2.gz KBOXBOZHRIMFBT-XHDPSFHLSA-N -1 3 378.396 0.577 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]2CN(C(=O)c3ccccn3)C[C@H]21 ZINC001571135996 952611132 /nfs/dbraw/zinc/61/11/32/952611132.db2.gz KBOXBOZHRIMFBT-XHDPSFHLSA-N -1 3 378.396 0.577 20 0 GCADHM COCC[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571135990 952611342 /nfs/dbraw/zinc/61/13/42/952611342.db2.gz JYCCIBGTZHKGTN-LBPRGKRZSA-N -1 3 378.414 0.781 20 0 GCADHM COCC[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571135990 952611344 /nfs/dbraw/zinc/61/13/44/952611344.db2.gz JYCCIBGTZHKGTN-LBPRGKRZSA-N -1 3 378.414 0.781 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ncccn1 ZINC001571139277 952619023 /nfs/dbraw/zinc/61/90/23/952619023.db2.gz FBKWFNBIRUKOKU-MDZLAQPJSA-N -1 3 379.384 0.160 20 0 GCADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ncccn1 ZINC001571139277 952619028 /nfs/dbraw/zinc/61/90/28/952619028.db2.gz FBKWFNBIRUKOKU-MDZLAQPJSA-N -1 3 379.384 0.160 20 0 GCADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571139100 952619100 /nfs/dbraw/zinc/61/91/00/952619100.db2.gz BWWWVYGTQMTFKW-ZBEGNZNMSA-N -1 3 379.371 0.567 20 0 GCADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571139100 952619103 /nfs/dbraw/zinc/61/91/03/952619103.db2.gz BWWWVYGTQMTFKW-ZBEGNZNMSA-N -1 3 379.371 0.567 20 0 GCADHM CN(C(=O)[C@H]1CCC1(F)F)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571139134 952619611 /nfs/dbraw/zinc/61/96/11/952619611.db2.gz COWGAHPWNOLHJF-VQXHTEKXSA-N -1 3 379.371 0.959 20 0 GCADHM CN(C(=O)[C@H]1CCC1(F)F)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571139134 952619613 /nfs/dbraw/zinc/61/96/13/952619613.db2.gz COWGAHPWNOLHJF-VQXHTEKXSA-N -1 3 379.371 0.959 20 0 GCADHM O=C(Nc1ccnnc1)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001571139555 952620504 /nfs/dbraw/zinc/62/05/04/952620504.db2.gz HWSYSRYFBQGVAY-AWEZNQCLSA-N -1 3 379.384 0.579 20 0 GCADHM O=C(Nc1ccnnc1)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001571139555 952620508 /nfs/dbraw/zinc/62/05/08/952620508.db2.gz HWSYSRYFBQGVAY-AWEZNQCLSA-N -1 3 379.384 0.579 20 0 GCADHM CC(F)(F)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571140011 952622307 /nfs/dbraw/zinc/62/23/07/952622307.db2.gz NBMPQANNWNDOHZ-LSJOCFKGSA-N -1 3 379.371 0.959 20 0 GCADHM CC(F)(F)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571140011 952622308 /nfs/dbraw/zinc/62/23/08/952622308.db2.gz NBMPQANNWNDOHZ-LSJOCFKGSA-N -1 3 379.371 0.959 20 0 GCADHM CCc1ccccc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001571141270 952632776 /nfs/dbraw/zinc/63/27/76/952632776.db2.gz JLZJSVYQTYKGIP-CVEARBPZSA-N -1 3 379.424 0.804 20 0 GCADHM CCc1ccccc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001571141270 952632783 /nfs/dbraw/zinc/63/27/83/952632783.db2.gz JLZJSVYQTYKGIP-CVEARBPZSA-N -1 3 379.424 0.804 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](CO)CC1OCCO1 ZINC001571142186 952639183 /nfs/dbraw/zinc/63/91/83/952639183.db2.gz QZFKNQUCIJYYAS-LLVKDONJSA-N -1 3 379.421 0.669 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](CO)CC1OCCO1 ZINC001571142186 952639184 /nfs/dbraw/zinc/63/91/84/952639184.db2.gz QZFKNQUCIJYYAS-LLVKDONJSA-N -1 3 379.421 0.669 20 0 GCADHM C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001571142724 952645279 /nfs/dbraw/zinc/64/52/79/952645279.db2.gz WRLQDPPFWIWDSS-RNCFNFMXSA-N -1 3 378.458 0.600 20 0 GCADHM O=C(Cc1cnc[nH]1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571146297 952648671 /nfs/dbraw/zinc/64/86/71/952648671.db2.gz FUOACPYLQYGJTJ-DZGCQCFKSA-N -1 3 379.428 0.655 20 0 GCADHM O=C([C@@H]1CCn2cncc2C1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571146374 952648983 /nfs/dbraw/zinc/64/89/83/952648983.db2.gz HCUXFWSDMBERBM-OCCSQVGLSA-N -1 3 379.428 0.734 20 0 GCADHM O=C([C@@H]1CCn2cncc2C1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571146374 952648987 /nfs/dbraw/zinc/64/89/87/952648987.db2.gz HCUXFWSDMBERBM-OCCSQVGLSA-N -1 3 379.428 0.734 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1n[nH]c2c1CCCC2 ZINC001571146512 952649210 /nfs/dbraw/zinc/64/92/10/952649210.db2.gz HSIISVAGOLOXCD-LLVKDONJSA-N -1 3 379.428 0.872 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1n[nH]c2c1CCCC2 ZINC001571146512 952649212 /nfs/dbraw/zinc/64/92/12/952649212.db2.gz HSIISVAGOLOXCD-LLVKDONJSA-N -1 3 379.428 0.872 20 0 GCADHM Cc1nccnc1CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571146620 952649837 /nfs/dbraw/zinc/64/98/37/952649837.db2.gz JXGLTNSJKBVUHC-IOASZLSFSA-N -1 3 379.428 0.829 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)c(C)n4)C[C@H]32)n1C ZINC001571146562 952650320 /nfs/dbraw/zinc/65/03/20/952650320.db2.gz IREDGYNYWPCGJX-VIKVFOODSA-N -1 3 379.428 0.477 20 0 GCADHM Cc1ncc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)c(C)n4)C[C@H]32)n1C ZINC001571146562 952650323 /nfs/dbraw/zinc/65/03/23/952650323.db2.gz IREDGYNYWPCGJX-VIKVFOODSA-N -1 3 379.428 0.477 20 0 GCADHM O=C(c1cc[nH]c1)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571146994 952655308 /nfs/dbraw/zinc/65/53/08/952655308.db2.gz FWZKDQUYTBIDTE-UHFFFAOYSA-N -1 3 379.424 0.922 20 0 GCADHM O=C(c1cc[nH]c1)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571146994 952655311 /nfs/dbraw/zinc/65/53/11/952655311.db2.gz FWZKDQUYTBIDTE-UHFFFAOYSA-N -1 3 379.424 0.922 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCc2nccn2C1 ZINC001571147111 952657583 /nfs/dbraw/zinc/65/75/83/952657583.db2.gz TUMUPMMLRAJUIN-MGPQQGTHSA-N -1 3 379.428 0.780 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCc2nccn2C1 ZINC001571147111 952657586 /nfs/dbraw/zinc/65/75/86/952657586.db2.gz TUMUPMMLRAJUIN-MGPQQGTHSA-N -1 3 379.428 0.780 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1)n1ccnc1 ZINC001571147122 952657729 /nfs/dbraw/zinc/65/77/29/952657729.db2.gz GTLHAPLQHXGKHF-RDBSUJKOSA-N -1 3 379.428 0.899 20 0 GCADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1)n1ccnc1 ZINC001571147122 952657734 /nfs/dbraw/zinc/65/77/34/952657734.db2.gz GTLHAPLQHXGKHF-RDBSUJKOSA-N -1 3 379.428 0.899 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2nccn2C1 ZINC001571147108 952657795 /nfs/dbraw/zinc/65/77/95/952657795.db2.gz TUMUPMMLRAJUIN-IHRRRGAJSA-N -1 3 379.428 0.780 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1)[C@H]1CCc2nccn2C1 ZINC001571147108 952657802 /nfs/dbraw/zinc/65/78/02/952657802.db2.gz TUMUPMMLRAJUIN-IHRRRGAJSA-N -1 3 379.428 0.780 20 0 GCADHM CCc1cc(C(=O)N2C[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]3C2)[nH]n1 ZINC001571147329 952660156 /nfs/dbraw/zinc/66/01/56/952660156.db2.gz JTLPEKASRVKBAA-TXEJJXNPSA-N -1 3 379.428 0.756 20 0 GCADHM C[C@@]1(NC(=O)c2cnc3n2CCC3)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571148078 952665303 /nfs/dbraw/zinc/66/53/03/952665303.db2.gz UKWUANULOBDSEZ-GOSISDBHSA-N -1 3 379.428 0.803 20 0 GCADHM C[C@@]1(NC(=O)c2cnc3n2CCC3)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571148078 952665304 /nfs/dbraw/zinc/66/53/04/952665304.db2.gz UKWUANULOBDSEZ-GOSISDBHSA-N -1 3 379.428 0.803 20 0 GCADHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001571150467 952668537 /nfs/dbraw/zinc/66/85/37/952668537.db2.gz BIELDTGKHLEWOE-NSHDSACASA-N -1 3 379.446 0.143 20 0 GCADHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001571150467 952668541 /nfs/dbraw/zinc/66/85/41/952668541.db2.gz BIELDTGKHLEWOE-NSHDSACASA-N -1 3 379.446 0.143 20 0 GCADHM O=C(C1=C2CCCN=C2NN1)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571151066 952672071 /nfs/dbraw/zinc/67/20/71/952672071.db2.gz KGWWIEZTTWABCJ-UHFFFAOYSA-N -1 3 379.428 0.070 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1CN1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001571151330 952674737 /nfs/dbraw/zinc/67/47/37/952674737.db2.gz OZLOARDXJNGGJP-HIFRSBDPSA-N -1 3 379.442 0.263 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001571151330 952674738 /nfs/dbraw/zinc/67/47/38/952674738.db2.gz OZLOARDXJNGGJP-HIFRSBDPSA-N -1 3 379.442 0.263 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@@H]1COCCO1 ZINC001571152566 952681934 /nfs/dbraw/zinc/68/19/34/952681934.db2.gz GUYAYBVUUJBABI-NHCYSSNCSA-N -1 3 379.808 0.390 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@@H]1COCCO1 ZINC001571152566 952681939 /nfs/dbraw/zinc/68/19/39/952681939.db2.gz GUYAYBVUUJBABI-NHCYSSNCSA-N -1 3 379.808 0.390 20 0 GCADHM O=C(Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)c1cc(C(F)F)[nH]n1 ZINC001571153349 952685874 /nfs/dbraw/zinc/68/58/74/952685874.db2.gz PDDZFSSSJFBRRV-UHFFFAOYSA-N -1 3 380.319 0.339 20 0 GCADHM C[C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571155016 952691426 /nfs/dbraw/zinc/69/14/26/952691426.db2.gz DTTYVXISBVWJJD-MLGOLLRUSA-N -1 3 380.412 0.995 20 0 GCADHM C[C@@H]1CN(C(=O)COc2cccnc2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571155016 952691430 /nfs/dbraw/zinc/69/14/30/952691430.db2.gz DTTYVXISBVWJJD-MLGOLLRUSA-N -1 3 380.412 0.995 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(C(=O)c2ccncc2)CC1 ZINC001571155115 952692504 /nfs/dbraw/zinc/69/25/04/952692504.db2.gz ICWDDJBCQGPIMZ-UHFFFAOYSA-N -1 3 380.412 0.967 20 0 GCADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(C(=O)c2ccncc2)CC1 ZINC001571155115 952692508 /nfs/dbraw/zinc/69/25/08/952692508.db2.gz ICWDDJBCQGPIMZ-UHFFFAOYSA-N -1 3 380.412 0.967 20 0 GCADHM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571155221 952693365 /nfs/dbraw/zinc/69/33/65/952693365.db2.gz LDTUKPSLHFDIEV-CKLFPEKLSA-N -1 3 380.405 0.280 20 0 GCADHM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571155221 952693368 /nfs/dbraw/zinc/69/33/68/952693368.db2.gz LDTUKPSLHFDIEV-CKLFPEKLSA-N -1 3 380.405 0.280 20 0 GCADHM COC(=O)c1ccnc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC001571155334 952695551 /nfs/dbraw/zinc/69/55/51/952695551.db2.gz OHKRJLWMUCEYDU-UHFFFAOYSA-N -1 3 380.411 0.588 20 0 GCADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCN(C(=O)c2cccnc2)CC1 ZINC001571155346 952695694 /nfs/dbraw/zinc/69/56/94/952695694.db2.gz OUKWZVXVIRNRCT-UHFFFAOYSA-N -1 3 380.412 0.967 20 0 GCADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCN(C(=O)c2cccnc2)CC1 ZINC001571155346 952695697 /nfs/dbraw/zinc/69/56/97/952695697.db2.gz OUKWZVXVIRNRCT-UHFFFAOYSA-N -1 3 380.412 0.967 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(C(=O)c2cccnc2)CC1 ZINC001571155546 952697858 /nfs/dbraw/zinc/69/78/58/952697858.db2.gz VYNCIGVGFMPCBW-UHFFFAOYSA-N -1 3 380.412 0.967 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(C(=O)c2cccnc2)CC1 ZINC001571155546 952697863 /nfs/dbraw/zinc/69/78/63/952697863.db2.gz VYNCIGVGFMPCBW-UHFFFAOYSA-N -1 3 380.412 0.967 20 0 GCADHM CCc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)no1 ZINC001571155743 952699599 /nfs/dbraw/zinc/69/95/99/952699599.db2.gz YUBVIYQSLJSXGD-ZSOGYDGISA-N -1 3 380.412 0.924 20 0 GCADHM CCc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)no1 ZINC001571155743 952699601 /nfs/dbraw/zinc/69/96/01/952699601.db2.gz YUBVIYQSLJSXGD-ZSOGYDGISA-N -1 3 380.412 0.924 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CN1C(=O)c1cn(C)ccc1=O ZINC001571155728 952700146 /nfs/dbraw/zinc/70/01/46/952700146.db2.gz YNNHASYQEHZXPW-YPMHNXCESA-N -1 3 380.412 0.676 20 0 GCADHM C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CN1C(=O)c1cn(C)ccc1=O ZINC001571155728 952700150 /nfs/dbraw/zinc/70/01/50/952700150.db2.gz YNNHASYQEHZXPW-YPMHNXCESA-N -1 3 380.412 0.676 20 0 GCADHM Cc1ccnc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571156840 952705697 /nfs/dbraw/zinc/70/56/97/952705697.db2.gz KZVBKHGNDADMTF-CYBMUJFWSA-N -1 3 379.428 0.959 20 0 GCADHM Cc1ccnc(C(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571156840 952705701 /nfs/dbraw/zinc/70/57/01/952705701.db2.gz KZVBKHGNDADMTF-CYBMUJFWSA-N -1 3 379.428 0.959 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)ccn1 ZINC001571157929 952709122 /nfs/dbraw/zinc/70/91/22/952709122.db2.gz DATUFFAIXAOLFH-ZDUSSCGKSA-N -1 3 380.412 0.982 20 0 GCADHM COc1cc(C(=O)N[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)ccn1 ZINC001571157929 952709126 /nfs/dbraw/zinc/70/91/26/952709126.db2.gz DATUFFAIXAOLFH-ZDUSSCGKSA-N -1 3 380.412 0.982 20 0 GCADHM Cc1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)ccc2-c2nnn[n-]2)n1C ZINC001571158102 952710545 /nfs/dbraw/zinc/71/05/45/952710545.db2.gz QXWWLZPEJINLHH-STQMWFEESA-N -1 3 379.428 0.715 20 0 GCADHM Cc1ncc(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C)ccc2-c2nn[n-]n2)n1C ZINC001571158102 952710549 /nfs/dbraw/zinc/71/05/49/952710549.db2.gz QXWWLZPEJINLHH-STQMWFEESA-N -1 3 379.428 0.715 20 0 GCADHM Cc1cc(=O)c(C(=O)N2C[C@H](Nc3ncccc3-c3nnn[n-]3)[C@@H](C)C2)c[nH]1 ZINC001571158683 952713275 /nfs/dbraw/zinc/71/32/75/952713275.db2.gz MKFKRRHIMCQFQI-HZMBPMFUSA-N -1 3 380.412 0.831 20 0 GCADHM Cc1cc(=O)c(C(=O)N2C[C@H](Nc3ncccc3-c3nn[n-]n3)[C@@H](C)C2)c[nH]1 ZINC001571158683 952713280 /nfs/dbraw/zinc/71/32/80/952713280.db2.gz MKFKRRHIMCQFQI-HZMBPMFUSA-N -1 3 380.412 0.831 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(C(=O)c2ncccn2)CC1 ZINC001571158731 952714641 /nfs/dbraw/zinc/71/46/41/952714641.db2.gz NNQPWSFQMXUJEH-UHFFFAOYSA-N -1 3 380.412 0.623 20 0 GCADHM Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)cc1-c1nnn[n-]1 ZINC001571159230 952716964 /nfs/dbraw/zinc/71/69/64/952716964.db2.gz REBFBZLRNPBBMU-UKRRQHHQSA-N -1 3 380.412 0.221 20 0 GCADHM Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)cc1-c1nn[n-]n1 ZINC001571159230 952716966 /nfs/dbraw/zinc/71/69/66/952716966.db2.gz REBFBZLRNPBBMU-UKRRQHHQSA-N -1 3 380.412 0.221 20 0 GCADHM Cc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)cc1-c1nnn[n-]1 ZINC001571159225 952717105 /nfs/dbraw/zinc/71/71/05/952717105.db2.gz REBFBZLRNPBBMU-DZGCQCFKSA-N -1 3 380.412 0.221 20 0 GCADHM Cc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)cc1-c1nn[n-]n1 ZINC001571159225 952717107 /nfs/dbraw/zinc/71/71/07/952717107.db2.gz REBFBZLRNPBBMU-DZGCQCFKSA-N -1 3 380.412 0.221 20 0 GCADHM Cc1cccc(C(=O)N(C)[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571159116 952717657 /nfs/dbraw/zinc/71/76/57/952717657.db2.gz RBMHPXPEWGECGY-GFCCVEGCSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cccc(C(=O)N(C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571159116 952717663 /nfs/dbraw/zinc/71/76/63/952717663.db2.gz RBMHPXPEWGECGY-GFCCVEGCSA-N -1 3 380.412 0.885 20 0 GCADHM Cc1cccc(NC(=O)CN2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571159331 952718746 /nfs/dbraw/zinc/71/87/46/952718746.db2.gz URJTYQCKXSXAOF-UHFFFAOYSA-N -1 3 380.412 0.556 20 0 GCADHM Cc1cccc(NC(=O)CN2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571159331 952718751 /nfs/dbraw/zinc/71/87/51/952718751.db2.gz URJTYQCKXSXAOF-UHFFFAOYSA-N -1 3 380.412 0.556 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H]1CNC(=O)c1ccncn1 ZINC001571159485 952719189 /nfs/dbraw/zinc/71/91/89/952719189.db2.gz WGDXFUUBURASPN-AWEZNQCLSA-N -1 3 380.412 0.670 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)cn1 ZINC001571159511 952719536 /nfs/dbraw/zinc/71/95/36/952719536.db2.gz XBUOMWASNBVZBH-HNNXBMFYSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)cn1 ZINC001571159511 952719540 /nfs/dbraw/zinc/71/95/40/952719540.db2.gz XBUOMWASNBVZBH-HNNXBMFYSA-N -1 3 380.412 0.600 20 0 GCADHM COc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ncc[nH]2)cc1-c1nnn[n-]1 ZINC001571159541 952719799 /nfs/dbraw/zinc/71/97/99/952719799.db2.gz XPHCSNVTYNVSCI-STQMWFEESA-N -1 3 380.412 0.697 20 0 GCADHM COc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ncc[nH]2)cc1-c1nn[n-]n1 ZINC001571159541 952719802 /nfs/dbraw/zinc/71/98/02/952719802.db2.gz XPHCSNVTYNVSCI-STQMWFEESA-N -1 3 380.412 0.697 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C)ccn1 ZINC001571159684 952720291 /nfs/dbraw/zinc/72/02/91/952720291.db2.gz ZDNRFIIKQGLKBX-BXUZGUMPSA-N -1 3 380.412 0.920 20 0 GCADHM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C)ccn1 ZINC001571159684 952720296 /nfs/dbraw/zinc/72/02/96/952720296.db2.gz ZDNRFIIKQGLKBX-BXUZGUMPSA-N -1 3 380.412 0.920 20 0 GCADHM Cc1cccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571159668 952720344 /nfs/dbraw/zinc/72/03/44/952720344.db2.gz YTQXCTZUBPWXTH-AULYBMBSSA-N -1 3 380.412 0.837 20 0 GCADHM Cc1cccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571159668 952720352 /nfs/dbraw/zinc/72/03/52/952720352.db2.gz YTQXCTZUBPWXTH-AULYBMBSSA-N -1 3 380.412 0.837 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)c3ccccn3)[C@H](O)C2)n1 ZINC001571159549 952720604 /nfs/dbraw/zinc/72/06/04/952720604.db2.gz XVWYFIOMGXTSHQ-DZGCQCFKSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)c3ccccn3)[C@H](O)C2)n1 ZINC001571159549 952720607 /nfs/dbraw/zinc/72/06/07/952720607.db2.gz XVWYFIOMGXTSHQ-DZGCQCFKSA-N -1 3 380.412 0.335 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571159698 952721286 /nfs/dbraw/zinc/72/12/86/952721286.db2.gz ZETGWNHUOJWVIU-GFCCVEGCSA-N -1 3 380.412 0.790 20 0 GCADHM Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571159698 952721288 /nfs/dbraw/zinc/72/12/88/952721288.db2.gz ZETGWNHUOJWVIU-GFCCVEGCSA-N -1 3 380.412 0.790 20 0 GCADHM COc1cc(C(=O)N(C)C2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)ncn1 ZINC001571159730 952722363 /nfs/dbraw/zinc/72/23/63/952722363.db2.gz ZNVSPYYSAFHBOA-UHFFFAOYSA-N -1 3 380.412 0.622 20 0 GCADHM COc1cc(C(=O)N(C)C2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)ncn1 ZINC001571159730 952722365 /nfs/dbraw/zinc/72/23/65/952722365.db2.gz ZNVSPYYSAFHBOA-UHFFFAOYSA-N -1 3 380.412 0.622 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc3c([nH]2)CCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571160030 952722749 /nfs/dbraw/zinc/72/27/49/952722749.db2.gz BGORPVGGULUPMP-GFCCVEGCSA-N -1 3 380.412 0.656 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc3c([nH]2)CCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571160030 952722754 /nfs/dbraw/zinc/72/27/54/952722754.db2.gz BGORPVGGULUPMP-GFCCVEGCSA-N -1 3 380.412 0.656 20 0 GCADHM Cn1cccc1C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571160075 952722924 /nfs/dbraw/zinc/72/29/24/952722924.db2.gz CSYFEAOVRRFIHR-XHDPSFHLSA-N -1 3 380.412 0.520 20 0 GCADHM Cn1cccc1C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571160075 952722929 /nfs/dbraw/zinc/72/29/29/952722929.db2.gz CSYFEAOVRRFIHR-XHDPSFHLSA-N -1 3 380.412 0.520 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2C3CCC2(CO)CC3)cc1 ZINC001571160008 952723065 /nfs/dbraw/zinc/72/30/65/952723065.db2.gz AFANRMAQWFDMOE-UHFFFAOYSA-N -1 3 380.412 0.764 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2C3CCC2(CO)CC3)cc1 ZINC001571160008 952723074 /nfs/dbraw/zinc/72/30/74/952723074.db2.gz AFANRMAQWFDMOE-UHFFFAOYSA-N -1 3 380.412 0.764 20 0 GCADHM NC(=O)c1cccc(CN2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571160034 952723378 /nfs/dbraw/zinc/72/33/78/952723378.db2.gz BLKHZMBTFWBORA-UHFFFAOYSA-N -1 3 380.412 0.156 20 0 GCADHM NC(=O)c1cccc(CN2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571160034 952723381 /nfs/dbraw/zinc/72/33/81/952723381.db2.gz BLKHZMBTFWBORA-UHFFFAOYSA-N -1 3 380.412 0.156 20 0 GCADHM Cc1ccncc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001571160255 952723981 /nfs/dbraw/zinc/72/39/81/952723981.db2.gz FXUILFTXSQTIDG-AWEZNQCLSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1ccncc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001571160255 952723982 /nfs/dbraw/zinc/72/39/82/952723982.db2.gz FXUILFTXSQTIDG-AWEZNQCLSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1cnccc1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001571160092 952724246 /nfs/dbraw/zinc/72/42/46/952724246.db2.gz DLTHIJJWMHGVEA-AWEZNQCLSA-N -1 3 380.412 0.600 20 0 GCADHM Cc1cnccc1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001571160092 952724250 /nfs/dbraw/zinc/72/42/50/952724250.db2.gz DLTHIJJWMHGVEA-AWEZNQCLSA-N -1 3 380.412 0.600 20 0 GCADHM O=C(Cc1cccnc1)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571160494 952726668 /nfs/dbraw/zinc/72/66/68/952726668.db2.gz IJVKSKPPYMFCRT-BETUJISGSA-N -1 3 380.412 0.457 20 0 GCADHM O=C(Cc1cccnc1)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571160494 952726671 /nfs/dbraw/zinc/72/66/71/952726671.db2.gz IJVKSKPPYMFCRT-BETUJISGSA-N -1 3 380.412 0.457 20 0 GCADHM Cn1ccc(=O)c(C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)c1 ZINC001571160488 952726730 /nfs/dbraw/zinc/72/67/30/952726730.db2.gz HSWSKENCRWUUMQ-ZDUSSCGKSA-N -1 3 380.412 0.677 20 0 GCADHM Cn1ccc(=O)c(C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)c1 ZINC001571160488 952726736 /nfs/dbraw/zinc/72/67/36/952726736.db2.gz HSWSKENCRWUUMQ-ZDUSSCGKSA-N -1 3 380.412 0.677 20 0 GCADHM O=C(CN1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)Nc1ccccc1 ZINC001571160868 952728136 /nfs/dbraw/zinc/72/81/36/952728136.db2.gz NSWUFWADINPTRC-CQSZACIVSA-N -1 3 380.412 0.638 20 0 GCADHM O=C(CN1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)Nc1ccccc1 ZINC001571160868 952728140 /nfs/dbraw/zinc/72/81/40/952728140.db2.gz NSWUFWADINPTRC-CQSZACIVSA-N -1 3 380.412 0.638 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(Cc3ncc(C4CC4)o3)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571161050 952729667 /nfs/dbraw/zinc/72/96/67/952729667.db2.gz PLKWGTVSZFRIOM-ATCWAGBWSA-N -1 3 380.412 0.920 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(Cc3ncc(C4CC4)o3)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571161050 952729672 /nfs/dbraw/zinc/72/96/72/952729672.db2.gz PLKWGTVSZFRIOM-ATCWAGBWSA-N -1 3 380.412 0.920 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2ccon2)ccc1-c1nnn[n-]1 ZINC001571161041 952729987 /nfs/dbraw/zinc/72/99/87/952729987.db2.gz PGSPHBZSJXVXKB-KBPBESRZSA-N -1 3 380.412 0.980 20 0 GCADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2ccon2)ccc1-c1nn[n-]n1 ZINC001571161041 952729989 /nfs/dbraw/zinc/72/99/89/952729989.db2.gz PGSPHBZSJXVXKB-KBPBESRZSA-N -1 3 380.412 0.980 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)nc2)ccc1=O ZINC001571161224 952730603 /nfs/dbraw/zinc/73/06/03/952730603.db2.gz ROARMHOQXLBNRE-ZDUSSCGKSA-N -1 3 380.412 0.359 20 0 GCADHM Cn1cc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)nc2)ccc1=O ZINC001571161224 952730607 /nfs/dbraw/zinc/73/06/07/952730607.db2.gz ROARMHOQXLBNRE-ZDUSSCGKSA-N -1 3 380.412 0.359 20 0 GCADHM Cc1cnc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)c1 ZINC001571161201 952731153 /nfs/dbraw/zinc/73/11/53/952731153.db2.gz RCGIHDYPTGJWKB-LBPRGKRZSA-N -1 3 380.412 0.851 20 0 GCADHM Cc1cnc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)c1 ZINC001571161201 952731156 /nfs/dbraw/zinc/73/11/56/952731156.db2.gz RCGIHDYPTGJWKB-LBPRGKRZSA-N -1 3 380.412 0.851 20 0 GCADHM Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C)c1 ZINC001571161410 952731744 /nfs/dbraw/zinc/73/17/44/952731744.db2.gz UYOAAVGLWXCMET-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cncc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C)c1 ZINC001571161410 952731750 /nfs/dbraw/zinc/73/17/50/952731750.db2.gz UYOAAVGLWXCMET-YPMHNXCESA-N -1 3 380.412 0.931 20 0 GCADHM Cn1ccc(C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)c1 ZINC001571161429 952732676 /nfs/dbraw/zinc/73/26/76/952732676.db2.gz VMFCXSWJEKGDGL-XHDPSFHLSA-N -1 3 380.412 0.520 20 0 GCADHM Cn1ccc(C(=O)N2CC[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)c1 ZINC001571161429 952732679 /nfs/dbraw/zinc/73/26/79/952732679.db2.gz VMFCXSWJEKGDGL-XHDPSFHLSA-N -1 3 380.412 0.520 20 0 GCADHM O=C(Cc1cnoc1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571161424 952732857 /nfs/dbraw/zinc/73/28/57/952732857.db2.gz VKYBICGMMNBAEJ-KSSFIOAISA-N -1 3 380.412 0.968 20 0 GCADHM O=C(Cc1cnoc1)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571161424 952732865 /nfs/dbraw/zinc/73/28/65/952732865.db2.gz VKYBICGMMNBAEJ-KSSFIOAISA-N -1 3 380.412 0.968 20 0 GCADHM Cc1cnccc1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571161444 952733440 /nfs/dbraw/zinc/73/34/40/952733440.db2.gz VRQUFMHRGIBMMO-RYUDHWBXSA-N -1 3 380.412 0.931 20 0 GCADHM Cc1cnccc1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571161444 952733444 /nfs/dbraw/zinc/73/34/44/952733444.db2.gz VRQUFMHRGIBMMO-RYUDHWBXSA-N -1 3 380.412 0.931 20 0 GCADHM O=C(Cc1ccon1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571161607 952733983 /nfs/dbraw/zinc/73/39/83/952733983.db2.gz YPNCIJDBSFPDHH-KGLIPLIRSA-N -1 3 380.412 0.777 20 0 GCADHM O=C(Cc1ccon1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571161607 952733987 /nfs/dbraw/zinc/73/39/87/952733987.db2.gz YPNCIJDBSFPDHH-KGLIPLIRSA-N -1 3 380.412 0.777 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3ccc(=O)n(C)c3)C2)ccc1-c1nnn[n-]1 ZINC001571161629 952734146 /nfs/dbraw/zinc/73/41/46/952734146.db2.gz ZBBSMDQPQXKINH-BETUJISGSA-N -1 3 380.412 0.642 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3ccc(=O)n(C)c3)C2)ccc1-c1nn[n-]n1 ZINC001571161629 952734149 /nfs/dbraw/zinc/73/41/49/952734149.db2.gz ZBBSMDQPQXKINH-BETUJISGSA-N -1 3 380.412 0.642 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571161603 952734443 /nfs/dbraw/zinc/73/44/43/952734443.db2.gz YBTPGDBANOHCMR-SFHVURJKSA-N -1 3 380.412 0.921 20 0 GCADHM O=C(Cc1ccon1)N1CC[C@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571161603 952734448 /nfs/dbraw/zinc/73/44/48/952734448.db2.gz YBTPGDBANOHCMR-SFHVURJKSA-N -1 3 380.412 0.921 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nnn[n-]2)[nH]n1 ZINC001571162077 952738934 /nfs/dbraw/zinc/73/89/34/952738934.db2.gz JJTFFUHKPHQOAC-CHWSQXEVSA-N -1 3 380.416 0.572 20 0 GCADHM Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nn[n-]n2)[nH]n1 ZINC001571162077 952738937 /nfs/dbraw/zinc/73/89/37/952738937.db2.gz JJTFFUHKPHQOAC-CHWSQXEVSA-N -1 3 380.416 0.572 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)n2cncn2)n1 ZINC001571162126 952739704 /nfs/dbraw/zinc/73/97/04/952739704.db2.gz LGNPUIDBIHAQEF-AVGNSLFASA-N -1 3 380.416 0.212 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C)n2cncn2)n1 ZINC001571162126 952739707 /nfs/dbraw/zinc/73/97/07/952739707.db2.gz LGNPUIDBIHAQEF-AVGNSLFASA-N -1 3 380.416 0.212 20 0 GCADHM CCCn1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)nn1 ZINC001571162189 952739874 /nfs/dbraw/zinc/73/98/74/952739874.db2.gz NJKGHDGXCNNQQO-JYAVWHMHSA-N -1 3 380.416 0.128 20 0 GCADHM CCCn1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)nn1 ZINC001571162189 952739876 /nfs/dbraw/zinc/73/98/76/952739876.db2.gz NJKGHDGXCNNQQO-JYAVWHMHSA-N -1 3 380.416 0.128 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nnn[n-]4)C3)C2)[nH]n1 ZINC001571162275 952740789 /nfs/dbraw/zinc/74/07/89/952740789.db2.gz PKSUDWWJCVEBLE-QGZVFWFLSA-N -1 3 380.416 0.431 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nn[n-]n4)C3)C2)[nH]n1 ZINC001571162275 952740797 /nfs/dbraw/zinc/74/07/97/952740797.db2.gz PKSUDWWJCVEBLE-QGZVFWFLSA-N -1 3 380.416 0.431 20 0 GCADHM O=C(NCC1CC(Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001571164993 952746168 /nfs/dbraw/zinc/74/61/68/952746168.db2.gz AHERHKUCYRZWAL-KIDURHIOSA-N -1 3 380.416 0.490 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C23CCC3)n1 ZINC001571165124 952747418 /nfs/dbraw/zinc/74/74/18/952747418.db2.gz CMFDGZKEULXKRC-KGLIPLIRSA-N -1 3 380.416 0.543 20 0 GCADHM Cn1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C23CCC3)n1 ZINC001571165124 952747424 /nfs/dbraw/zinc/74/74/24/952747424.db2.gz CMFDGZKEULXKRC-KGLIPLIRSA-N -1 3 380.416 0.543 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165155 952748366 /nfs/dbraw/zinc/74/83/66/952748366.db2.gz DKAPJONQHHVHHI-CMPLNLGQSA-N -1 3 380.416 0.645 20 0 GCADHM Nc1nccnc1C(=O)N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165155 952748368 /nfs/dbraw/zinc/74/83/68/952748368.db2.gz DKAPJONQHHVHHI-CMPLNLGQSA-N -1 3 380.416 0.645 20 0 GCADHM Cn1ncc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ncccc2-c2nnn[n-]2)n1 ZINC001571165185 952748597 /nfs/dbraw/zinc/74/85/97/952748597.db2.gz FHAXUCNBIKMRKP-KGLIPLIRSA-N -1 3 380.416 0.274 20 0 GCADHM Cn1ncc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2ncccc2-c2nn[n-]n2)n1 ZINC001571165185 952748603 /nfs/dbraw/zinc/74/86/03/952748603.db2.gz FHAXUCNBIKMRKP-KGLIPLIRSA-N -1 3 380.416 0.274 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165157 952748840 /nfs/dbraw/zinc/74/88/40/952748840.db2.gz DKAPJONQHHVHHI-PWSUYJOCSA-N -1 3 380.416 0.645 20 0 GCADHM Nc1nccnc1C(=O)N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165157 952748842 /nfs/dbraw/zinc/74/88/42/952748842.db2.gz DKAPJONQHHVHHI-PWSUYJOCSA-N -1 3 380.416 0.645 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571165488 952750663 /nfs/dbraw/zinc/75/06/63/952750663.db2.gz HYELSBKIFZBCTL-KBPBESRZSA-N -1 3 380.416 0.192 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571165488 952750665 /nfs/dbraw/zinc/75/06/65/952750665.db2.gz HYELSBKIFZBCTL-KBPBESRZSA-N -1 3 380.416 0.192 20 0 GCADHM COc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)[C@H](C)C2)cc1-c1nnn[n-]1 ZINC001571165560 952752629 /nfs/dbraw/zinc/75/26/29/952752629.db2.gz DZOBPDBFWUMNDD-MWLCHTKSSA-N -1 3 380.430 0.963 20 0 GCADHM COc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001571165560 952752633 /nfs/dbraw/zinc/75/26/33/952752633.db2.gz DZOBPDBFWUMNDD-MWLCHTKSSA-N -1 3 380.430 0.963 20 0 GCADHM O=S(=O)(CCN1CCN2C[C@@H](F)C[C@H]2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001571165584 952752932 /nfs/dbraw/zinc/75/29/32/952752932.db2.gz GCUVRWOVKTXHGC-KBPBESRZSA-N -1 3 380.449 0.368 20 0 GCADHM O=S(=O)(CCN1CCN2C[C@@H](F)C[C@H]2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001571165584 952752939 /nfs/dbraw/zinc/75/29/39/952752939.db2.gz GCUVRWOVKTXHGC-KBPBESRZSA-N -1 3 380.449 0.368 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)C1(F)CCCC1 ZINC001571165579 952753733 /nfs/dbraw/zinc/75/37/33/952753733.db2.gz FXVARVXDVJERSI-VXGBXAGGSA-N -1 3 380.449 0.872 20 0 GCADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)C1(F)CCCC1 ZINC001571165579 952753735 /nfs/dbraw/zinc/75/37/35/952753735.db2.gz FXVARVXDVJERSI-VXGBXAGGSA-N -1 3 380.449 0.872 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571165590 952753812 /nfs/dbraw/zinc/75/38/12/952753812.db2.gz GHVISTSQISEQDJ-GXSJLCMTSA-N -1 3 380.434 0.101 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571165590 952753814 /nfs/dbraw/zinc/75/38/14/952753814.db2.gz GHVISTSQISEQDJ-GXSJLCMTSA-N -1 3 380.434 0.101 20 0 GCADHM O=C(N[C@H]1C[C@H](Nc2cnc(-c3nnn[n-]3)cn2)C1)[C@H]1CCc2n[nH]cc2C1 ZINC001571165825 952755100 /nfs/dbraw/zinc/75/51/00/952755100.db2.gz LSDBWPPYOFGAGI-DLOVCJGASA-N -1 3 380.416 0.244 20 0 GCADHM Cc1nc(N2CC[C@H]3CN(C(=O)c4nc[nH]n4)CC[C@@H]32)ccc1-c1nn[n-]n1 ZINC001571165845 952756291 /nfs/dbraw/zinc/75/62/91/952756291.db2.gz MIWDZKAEMFMTGX-AAEUAGOBSA-N -1 3 380.416 0.429 20 0 GCADHM O=C(c1cc(C2CC2)n[nH]1)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571165998 952757032 /nfs/dbraw/zinc/75/70/32/952757032.db2.gz MLSQEAMIYHMBNQ-LLVKDONJSA-N -1 3 380.416 0.974 20 0 GCADHM Cc1nc(C(=O)N2CC[C@@H]3[C@H](CCN3c3cncc(-c4nnn[n-]4)n3)C2)c[nH]1 ZINC001571166140 952758309 /nfs/dbraw/zinc/75/83/09/952758309.db2.gz OQCQLULJHNTOIX-BXUZGUMPSA-N -1 3 380.416 0.429 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571166375 952761029 /nfs/dbraw/zinc/76/10/29/952761029.db2.gz RCBMPNZQTONOMG-NHYWBVRUSA-N -1 3 380.416 0.131 20 0 GCADHM Cn1ncc(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571166375 952761034 /nfs/dbraw/zinc/76/10/34/952761034.db2.gz RCBMPNZQTONOMG-NHYWBVRUSA-N -1 3 380.416 0.131 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nnn[n-]4)nc2)CC3)nn1 ZINC001571166762 952765651 /nfs/dbraw/zinc/76/56/51/952765651.db2.gz VLUHVTRCEKWWSB-CQSZACIVSA-N -1 3 380.416 0.179 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CC23CCN(c2ccc(-c4nn[n-]n4)nc2)CC3)nn1 ZINC001571166762 952765652 /nfs/dbraw/zinc/76/56/52/952765652.db2.gz VLUHVTRCEKWWSB-CQSZACIVSA-N -1 3 380.416 0.179 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001571169999 952782040 /nfs/dbraw/zinc/78/20/40/952782040.db2.gz CCXIEPWAPBETSK-ABAIWWIYSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001571169999 952782043 /nfs/dbraw/zinc/78/20/43/952782043.db2.gz CCXIEPWAPBETSK-ABAIWWIYSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccnn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170029 952782126 /nfs/dbraw/zinc/78/21/26/952782126.db2.gz CRCJFWZTSFYBBR-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2cccnn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170029 952782128 /nfs/dbraw/zinc/78/21/28/952782128.db2.gz CRCJFWZTSFYBBR-CMPLNLGQSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001571170343 952784804 /nfs/dbraw/zinc/78/48/04/952784804.db2.gz GYQFMYOSJJRDDV-DGCLKSJQSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001571170343 952784809 /nfs/dbraw/zinc/78/48/09/952784809.db2.gz GYQFMYOSJJRDDV-DGCLKSJQSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001571170729 952788488 /nfs/dbraw/zinc/78/84/88/952788488.db2.gz KZPINLALEXYUEY-SMDDNHRTSA-N -1 3 381.400 0.393 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001571170729 952788493 /nfs/dbraw/zinc/78/84/93/952788493.db2.gz KZPINLALEXYUEY-SMDDNHRTSA-N -1 3 381.400 0.393 20 0 GCADHM CCc1ncncc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571171063 952790560 /nfs/dbraw/zinc/79/05/60/952790560.db2.gz NBLAOTWTBYZHNN-XYPYZODXSA-N -1 3 381.400 0.238 20 0 GCADHM CCc1ncncc1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571171063 952790563 /nfs/dbraw/zinc/79/05/63/952790563.db2.gz NBLAOTWTBYZHNN-XYPYZODXSA-N -1 3 381.400 0.238 20 0 GCADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(C(=O)c2ccncn2)CC1 ZINC001571171088 952791469 /nfs/dbraw/zinc/79/14/69/952791469.db2.gz NZORTQNCDOSNFS-UHFFFAOYSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(C(=O)c2ccncn2)CC1 ZINC001571171088 952791473 /nfs/dbraw/zinc/79/14/73/952791473.db2.gz NZORTQNCDOSNFS-UHFFFAOYSA-N -1 3 381.400 0.362 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)c1ccncn1 ZINC001571171326 952792846 /nfs/dbraw/zinc/79/28/46/952792846.db2.gz QWLUOUWNOKXYAX-WDEREUQCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)c1ccncn1 ZINC001571171326 952792851 /nfs/dbraw/zinc/79/28/51/952792851.db2.gz QWLUOUWNOKXYAX-WDEREUQCSA-N -1 3 381.400 0.408 20 0 GCADHM C[C@H]1CC[C@H](NC(=O)c2cnc[nH]c2=O)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571171996 952799868 /nfs/dbraw/zinc/79/98/68/952799868.db2.gz ZYQMBWDNPMGNFL-QWRGUYRKSA-N -1 3 381.400 0.545 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ncccn1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571174571 952810091 /nfs/dbraw/zinc/81/00/91/952810091.db2.gz ATSDWFVJQMBFAH-LBPRGKRZSA-N -1 3 381.400 0.362 20 0 GCADHM CN(C[C@@H]1CCCN1C(=O)c1ncccn1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571174571 952810098 /nfs/dbraw/zinc/81/00/98/952810098.db2.gz ATSDWFVJQMBFAH-LBPRGKRZSA-N -1 3 381.400 0.362 20 0 GCADHM COc1nccc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571174664 952812311 /nfs/dbraw/zinc/81/23/11/952812311.db2.gz DOYOYLAYUHYXRP-UHFFFAOYSA-N -1 3 381.400 0.681 20 0 GCADHM COc1nccc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571174664 952812320 /nfs/dbraw/zinc/81/23/20/952812320.db2.gz DOYOYLAYUHYXRP-UHFFFAOYSA-N -1 3 381.400 0.681 20 0 GCADHM COc1nccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571174745 952813802 /nfs/dbraw/zinc/81/38/02/952813802.db2.gz GXONTYZRBYJJPN-NSHDSACASA-N -1 3 381.400 0.317 20 0 GCADHM COc1nccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571174745 952813807 /nfs/dbraw/zinc/81/38/07/952813807.db2.gz GXONTYZRBYJJPN-NSHDSACASA-N -1 3 381.400 0.317 20 0 GCADHM COc1cncc(C(=O)N[C@H]2C[C@@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)n1 ZINC001571174773 952813925 /nfs/dbraw/zinc/81/39/25/952813925.db2.gz HWAWNMOHAFZJEV-PHIMTYICSA-N -1 3 381.400 0.742 20 0 GCADHM COc1cncc(C(=O)N[C@H]2C[C@@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)n1 ZINC001571174773 952813929 /nfs/dbraw/zinc/81/39/29/952813929.db2.gz HWAWNMOHAFZJEV-PHIMTYICSA-N -1 3 381.400 0.742 20 0 GCADHM COCc1ncc2c(n1)CCN(C(=O)CNc1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571174750 952814391 /nfs/dbraw/zinc/81/43/91/952814391.db2.gz HEPMDWJQTXNBJB-UHFFFAOYSA-N -1 3 381.400 0.195 20 0 GCADHM COCc1ncc2c(n1)CCN(C(=O)CNc1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571174750 952814394 /nfs/dbraw/zinc/81/43/94/952814394.db2.gz HEPMDWJQTXNBJB-UHFFFAOYSA-N -1 3 381.400 0.195 20 0 GCADHM COc1nccc(C(=O)N2C[C@@H](Nc3ncccc3-c3nnn[n-]3)C[C@H]2C)n1 ZINC001571174832 952815631 /nfs/dbraw/zinc/81/56/31/952815631.db2.gz JUPXDWYDSCKSNP-MNOVXSKESA-N -1 3 381.400 0.775 20 0 GCADHM COc1nccc(C(=O)N2C[C@@H](Nc3ncccc3-c3nn[n-]n3)C[C@H]2C)n1 ZINC001571174832 952815640 /nfs/dbraw/zinc/81/56/40/952815640.db2.gz JUPXDWYDSCKSNP-MNOVXSKESA-N -1 3 381.400 0.775 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)ncn1 ZINC001571174825 952816308 /nfs/dbraw/zinc/81/63/08/952816308.db2.gz JJHSPDQZWSQNER-NSHDSACASA-N -1 3 381.400 0.317 20 0 GCADHM COc1cc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)ncn1 ZINC001571174825 952816313 /nfs/dbraw/zinc/81/63/13/952816313.db2.gz JJHSPDQZWSQNER-NSHDSACASA-N -1 3 381.400 0.317 20 0 GCADHM COc1cc(C)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571175130 952817780 /nfs/dbraw/zinc/81/77/80/952817780.db2.gz QELHQQMXZONBIZ-RYUDHWBXSA-N -1 3 381.400 0.405 20 0 GCADHM COc1cc(C)nc(N2C[C@@H]3C[C@H]2CN3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571175130 952817786 /nfs/dbraw/zinc/81/77/86/952817786.db2.gz QELHQQMXZONBIZ-RYUDHWBXSA-N -1 3 381.400 0.405 20 0 GCADHM CN1CC[C@H](NC(=O)Nc2cnn(Cc3ccc(-c4nnn[n-]4)cc3)c2)C1=O ZINC001571175249 952817879 /nfs/dbraw/zinc/81/78/79/952817879.db2.gz QWJHLEMQFPGSPP-AWEZNQCLSA-N -1 3 381.400 0.464 20 0 GCADHM CN1CC[C@H](NC(=O)Nc2cnn(Cc3ccc(-c4nn[n-]n4)cc3)c2)C1=O ZINC001571175249 952817886 /nfs/dbraw/zinc/81/78/86/952817886.db2.gz QWJHLEMQFPGSPP-AWEZNQCLSA-N -1 3 381.400 0.464 20 0 GCADHM Cc1nonc1C(=O)N1CC[C@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]21 ZINC001571175146 952818521 /nfs/dbraw/zinc/81/85/21/952818521.db2.gz QTHKUPWVIAQNNU-WCQYABFASA-N -1 3 381.400 0.612 20 0 GCADHM Cc1nonc1C(=O)N1CC[C@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]21 ZINC001571175146 952818526 /nfs/dbraw/zinc/81/85/26/952818526.db2.gz QTHKUPWVIAQNNU-WCQYABFASA-N -1 3 381.400 0.612 20 0 GCADHM O=C(N[C@H]1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1)c1cn[nH]c(=O)c1 ZINC001571175312 952819462 /nfs/dbraw/zinc/81/94/62/952819462.db2.gz ALOPOGCFRBFMLK-MFKMUULPSA-N -1 3 381.400 0.768 20 0 GCADHM O=C(N[C@H]1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1)c1cn[nH]c(=O)c1 ZINC001571175312 952819466 /nfs/dbraw/zinc/81/94/66/952819466.db2.gz ALOPOGCFRBFMLK-MFKMUULPSA-N -1 3 381.400 0.768 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)NCC2CC(Nc3ncccc3-c3nnn[n-]3)C2)c1 ZINC001571175433 952821653 /nfs/dbraw/zinc/82/16/53/952821653.db2.gz CNHWZXOBUQQQCU-UHFFFAOYSA-N -1 3 381.400 0.309 20 0 GCADHM NC(=O)c1c[nH]c(C(=O)NCC2CC(Nc3ncccc3-c3nn[n-]n3)C2)c1 ZINC001571175433 952821661 /nfs/dbraw/zinc/82/16/61/952821661.db2.gz CNHWZXOBUQQQCU-UHFFFAOYSA-N -1 3 381.400 0.309 20 0 GCADHM O=C(N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1O ZINC001571175678 952824546 /nfs/dbraw/zinc/82/45/46/952824546.db2.gz DZZMLDBQECMNAI-MNOVXSKESA-N -1 3 381.400 0.768 20 0 GCADHM Cc1nccc(C(=O)N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001571175724 952825346 /nfs/dbraw/zinc/82/53/46/952825346.db2.gz GIOWNIIIPYQLDU-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1nccc(C(=O)N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001571175724 952825353 /nfs/dbraw/zinc/82/53/53/952825353.db2.gz GIOWNIIIPYQLDU-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1ncncc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001571175758 952826283 /nfs/dbraw/zinc/82/62/83/952826283.db2.gz GVLLPYDTUBSKLF-GXSJLCMTSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ncncc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001571175758 952826290 /nfs/dbraw/zinc/82/62/90/952826290.db2.gz GVLLPYDTUBSKLF-GXSJLCMTSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ncncc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571175760 952826381 /nfs/dbraw/zinc/82/63/81/952826381.db2.gz GVLLPYDTUBSKLF-KOLCDFICSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1ncncc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571175760 952826386 /nfs/dbraw/zinc/82/63/86/952826386.db2.gz GVLLPYDTUBSKLF-KOLCDFICSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nc[nH]c(=O)c1C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571176087 952827640 /nfs/dbraw/zinc/82/76/40/952827640.db2.gz KOILMWJVWBGMOR-NOZJJQNGSA-N -1 3 381.400 0.638 20 0 GCADHM Cc1nnccc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001571176382 952830366 /nfs/dbraw/zinc/83/03/66/952830366.db2.gz QUAOHOQPDJMWEO-MFKMUULPSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001571176382 952830372 /nfs/dbraw/zinc/83/03/72/952830372.db2.gz QUAOHOQPDJMWEO-MFKMUULPSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571176320 952830408 /nfs/dbraw/zinc/83/04/08/952830408.db2.gz PDPFRMWWWOGWFG-UHFFFAOYSA-N -1 3 381.400 0.282 20 0 GCADHM Cc1nnccc1C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571176320 952830411 /nfs/dbraw/zinc/83/04/11/952830411.db2.gz PDPFRMWWWOGWFG-UHFFFAOYSA-N -1 3 381.400 0.282 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001571176387 952830809 /nfs/dbraw/zinc/83/08/09/952830809.db2.gz QXUCDLICUREVDM-CABZTGNLSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001571176387 952830815 /nfs/dbraw/zinc/83/08/15/952830815.db2.gz QXUCDLICUREVDM-CABZTGNLSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)NCC1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571176326 952831010 /nfs/dbraw/zinc/83/10/10/952831010.db2.gz PODBOMYXSDHJKO-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1nnccc1C(=O)NCC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571176326 952831018 /nfs/dbraw/zinc/83/10/18/952831018.db2.gz PODBOMYXSDHJKO-UHFFFAOYSA-N -1 3 381.400 0.232 20 0 GCADHM Cc1nnccc1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571176314 952831162 /nfs/dbraw/zinc/83/11/62/952831162.db2.gz PAYNKDFCLUFQCW-NSHDSACASA-N -1 3 381.400 0.185 20 0 GCADHM Cc1nnccc1C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571176314 952831165 /nfs/dbraw/zinc/83/11/65/952831165.db2.gz PAYNKDFCLUFQCW-NSHDSACASA-N -1 3 381.400 0.185 20 0 GCADHM Cc1nnccc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571176521 952832167 /nfs/dbraw/zinc/83/21/67/952832167.db2.gz SLCKCGXEVJGTRG-GXFFZTMASA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571176521 952832170 /nfs/dbraw/zinc/83/21/70/952832170.db2.gz SLCKCGXEVJGTRG-GXFFZTMASA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nc(NC2CC(N(C)C(=O)c3cn[nH]c(=O)c3)C2)ccc1-c1nnn[n-]1 ZINC001571176530 952832424 /nfs/dbraw/zinc/83/24/24/952832424.db2.gz SRKYDTNJPMBTLN-UHFFFAOYSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1nc(NC2CC(N(C)C(=O)c3cn[nH]c(=O)c3)C2)ccc1-c1nn[n-]n1 ZINC001571176530 952832430 /nfs/dbraw/zinc/83/24/30/952832430.db2.gz SRKYDTNJPMBTLN-UHFFFAOYSA-N -1 3 381.400 0.781 20 0 GCADHM Cc1ccnc(C(=O)N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001571176579 952832817 /nfs/dbraw/zinc/83/28/17/952832817.db2.gz VFPATOOLQMQELM-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1ccnc(C(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001571176579 952832821 /nfs/dbraw/zinc/83/28/21/952832821.db2.gz VFPATOOLQMQELM-UHFFFAOYSA-N -1 3 381.400 0.328 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001571176597 952833905 /nfs/dbraw/zinc/83/39/05/952833905.db2.gz VPBAOXBFFFNGMY-MWLCHTKSSA-N -1 3 381.400 0.326 20 0 GCADHM Cc1nnccc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001571176597 952833910 /nfs/dbraw/zinc/83/39/10/952833910.db2.gz VPBAOXBFFFNGMY-MWLCHTKSSA-N -1 3 381.400 0.326 20 0 GCADHM O=C(N[C@H]1CCC[C@@H](NC(=O)c2ccncn2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571176606 952833919 /nfs/dbraw/zinc/83/39/19/952833919.db2.gz VSAKJOMIAMTSBK-NWDGAFQWSA-N -1 3 381.400 0.456 20 0 GCADHM O=C(N[C@H]1CCC[C@@H](NC(=O)c2ccncn2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571176606 952833922 /nfs/dbraw/zinc/83/39/22/952833922.db2.gz VSAKJOMIAMTSBK-NWDGAFQWSA-N -1 3 381.400 0.456 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176945 952836283 /nfs/dbraw/zinc/83/62/83/952836283.db2.gz ZWCDAJVKMKRUKT-ZYHUDNBSSA-N -1 3 381.400 0.356 20 0 GCADHM O=C(N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176945 952836285 /nfs/dbraw/zinc/83/62/85/952836285.db2.gz ZWCDAJVKMKRUKT-ZYHUDNBSSA-N -1 3 381.400 0.356 20 0 GCADHM O=C(c1cccnn1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571178190 952836398 /nfs/dbraw/zinc/83/63/98/952836398.db2.gz AWNZIUMEOBDBSK-CYBMUJFWSA-N -1 3 381.400 0.395 20 0 GCADHM O=C(c1cccnn1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571178190 952836403 /nfs/dbraw/zinc/83/64/03/952836403.db2.gz AWNZIUMEOBDBSK-CYBMUJFWSA-N -1 3 381.400 0.395 20 0 GCADHM O=C(N[C@@H]1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)c1ccc(=O)[nH]n1 ZINC001571176857 952836547 /nfs/dbraw/zinc/83/65/47/952836547.db2.gz YXWNGKUBBCETBH-GHMZBOCLSA-N -1 3 381.400 0.910 20 0 GCADHM O=C(N[C@@H]1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)c1ccc(=O)[nH]n1 ZINC001571176857 952836556 /nfs/dbraw/zinc/83/65/56/952836556.db2.gz YXWNGKUBBCETBH-GHMZBOCLSA-N -1 3 381.400 0.910 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3cc(=O)n(C)cn3)C2)ccc1-c1nnn[n-]1 ZINC001571176948 952836606 /nfs/dbraw/zinc/83/66/06/952836606.db2.gz ZWMYKMGOMALOIB-PHIMTYICSA-N -1 3 381.400 0.037 20 0 GCADHM Cc1nc(N[C@H]2C[C@@H](NC(=O)c3cc(=O)n(C)cn3)C2)ccc1-c1nn[n-]n1 ZINC001571176948 952836610 /nfs/dbraw/zinc/83/66/10/952836610.db2.gz ZWMYKMGOMALOIB-PHIMTYICSA-N -1 3 381.400 0.037 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571178303 952838550 /nfs/dbraw/zinc/83/85/50/952838550.db2.gz FQMJZSBFKDISKY-NSHDSACASA-N -1 3 381.400 0.452 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571178303 952838557 /nfs/dbraw/zinc/83/85/57/952838557.db2.gz FQMJZSBFKDISKY-NSHDSACASA-N -1 3 381.400 0.452 20 0 GCADHM O=C(c1cnccn1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571178585 952843998 /nfs/dbraw/zinc/84/39/98/952843998.db2.gz NRXSNUCFHGHTOC-ZDUSSCGKSA-N -1 3 381.400 0.395 20 0 GCADHM O=C(c1cnccn1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571178585 952844002 /nfs/dbraw/zinc/84/40/02/952844002.db2.gz NRXSNUCFHGHTOC-ZDUSSCGKSA-N -1 3 381.400 0.395 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CN(Cc3ccccc3-c3nnn[n-]3)C2)C1)C1CC1 ZINC001571180180 952858612 /nfs/dbraw/zinc/85/86/12/952858612.db2.gz MJAXXRABFMTTSF-AWEZNQCLSA-N -1 3 381.440 0.178 20 0 GCADHM O=C(N[C@H]1CC(=O)N(C2CN(Cc3ccccc3-c3nn[n-]n3)C2)C1)C1CC1 ZINC001571180180 952858616 /nfs/dbraw/zinc/85/86/16/952858616.db2.gz MJAXXRABFMTTSF-AWEZNQCLSA-N -1 3 381.440 0.178 20 0 GCADHM C[C@@]12CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]1CN(C(=O)[C@H]1CC13CC3)C2 ZINC001571182742 952868379 /nfs/dbraw/zinc/86/83/79/952868379.db2.gz DDDXJOGQVAVFFF-VEVIJQCQSA-N -1 3 381.440 0.915 20 0 GCADHM C[C@@]12CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]1CN(C(=O)[C@H]1CC13CC3)C2 ZINC001571182742 952868383 /nfs/dbraw/zinc/86/83/83/952868383.db2.gz DDDXJOGQVAVFFF-VEVIJQCQSA-N -1 3 381.440 0.915 20 0 GCADHM CCS(=O)(=O)C1(CNC(=O)Nc2cnc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC001571183119 952874628 /nfs/dbraw/zinc/87/46/28/952874628.db2.gz PCSPYRJYCDHUQL-UHFFFAOYSA-N -1 3 381.418 0.359 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cn2cc(C)cn2)CCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571183584 952879554 /nfs/dbraw/zinc/87/95/54/952879554.db2.gz FFFCGRFFFGVEMJ-GOEBONIOSA-N -1 3 381.444 0.940 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)Cn2cc(C)cn2)CCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571183584 952879558 /nfs/dbraw/zinc/87/95/58/952879558.db2.gz FFFCGRFFFGVEMJ-GOEBONIOSA-N -1 3 381.444 0.940 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571183800 952882792 /nfs/dbraw/zinc/88/27/92/952882792.db2.gz JSZMDWBDIPLWDY-CHWSQXEVSA-N -1 3 381.444 0.744 20 0 GCADHM C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571183800 952882798 /nfs/dbraw/zinc/88/27/98/952882798.db2.gz JSZMDWBDIPLWDY-CHWSQXEVSA-N -1 3 381.444 0.744 20 0 GCADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CC[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC001571183961 952885796 /nfs/dbraw/zinc/88/57/96/952885796.db2.gz NMHFLOPGCBTOLF-HNNXBMFYSA-N -1 3 381.444 0.949 20 0 GCADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CC[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC001571183961 952885820 /nfs/dbraw/zinc/88/58/20/952885820.db2.gz NMHFLOPGCBTOLF-HNNXBMFYSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1c(CC(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)[C@@H]2C)cnn1C ZINC001571184827 952897047 /nfs/dbraw/zinc/89/70/47/952897047.db2.gz DVJHOFWDBIMGFG-WFASDCNBSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1c(CC(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)[C@@H]2C)cnn1C ZINC001571184827 952897054 /nfs/dbraw/zinc/89/70/54/952897054.db2.gz DVJHOFWDBIMGFG-WFASDCNBSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1c(CC(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)[C@@H]2C)cnn1C ZINC001571184826 952897673 /nfs/dbraw/zinc/89/76/73/952897673.db2.gz DVJHOFWDBIMGFG-SWLSCSKDSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1c(CC(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)[C@@H]2C)cnn1C ZINC001571184826 952897681 /nfs/dbraw/zinc/89/76/81/952897681.db2.gz DVJHOFWDBIMGFG-SWLSCSKDSA-N -1 3 381.444 0.948 20 0 GCADHM CN(CC1CCN(C(=O)c2cncn2C)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571186070 952904488 /nfs/dbraw/zinc/90/44/88/952904488.db2.gz RPNDYMXBQSSDCU-UHFFFAOYSA-N -1 3 381.444 0.984 20 0 GCADHM CN(CC1CCN(C(=O)c2cncn2C)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571186070 952904489 /nfs/dbraw/zinc/90/44/89/952904489.db2.gz RPNDYMXBQSSDCU-UHFFFAOYSA-N -1 3 381.444 0.984 20 0 GCADHM Cc1c(CC(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cnn1C ZINC001571186293 952907231 /nfs/dbraw/zinc/90/72/31/952907231.db2.gz VRQMRNHUFJDXQY-HNNXBMFYSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1c(CC(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cnn1C ZINC001571186293 952907233 /nfs/dbraw/zinc/90/72/33/952907233.db2.gz VRQMRNHUFJDXQY-HNNXBMFYSA-N -1 3 381.444 0.949 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N(C)[C@H]2CCN(C(=O)CCn3ccnc3)C2)n1 ZINC001571188197 952912207 /nfs/dbraw/zinc/91/22/07/952912207.db2.gz HZUHJPVWMOAACT-AWEZNQCLSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N(C)[C@H]2CCN(C(=O)CCn3ccnc3)C2)n1 ZINC001571188197 952912211 /nfs/dbraw/zinc/91/22/11/952912211.db2.gz HZUHJPVWMOAACT-AWEZNQCLSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571188345 952913436 /nfs/dbraw/zinc/91/34/36/952913436.db2.gz IYIKMIHVJOUZRU-ZFWWWQNUSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1cnn(CC(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)[C@H]2C)c1 ZINC001571188345 952913441 /nfs/dbraw/zinc/91/34/41/952913441.db2.gz IYIKMIHVJOUZRU-ZFWWWQNUSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CC[C@H](C)N(c2ncccc2-c2nnn[n-]2)C1 ZINC001571188447 952914119 /nfs/dbraw/zinc/91/41/19/952914119.db2.gz AUCYVPMZJQWFBO-JSGCOSHPSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nccn1CC(=O)N[C@H]1CC[C@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001571188447 952914122 /nfs/dbraw/zinc/91/41/22/952914122.db2.gz AUCYVPMZJQWFBO-JSGCOSHPSA-N -1 3 381.444 0.940 20 0 GCADHM Cc1nc(N[C@@H]2CCN(C(=O)Cc3cncn3C)[C@H]2C)ccc1-c1nn[n-]n1 ZINC001571188405 952914463 /nfs/dbraw/zinc/91/44/63/952914463.db2.gz AISKAMHJSGOOKY-SWLSCSKDSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1nn(C)cc1C(=O)N1CC[C@@H](N(C)c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571188612 952916888 /nfs/dbraw/zinc/91/68/88/952916888.db2.gz LWWREXKDPANOPD-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM Cc1nn(C)cc1C(=O)N1CC[C@@H](N(C)c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571188612 952916892 /nfs/dbraw/zinc/91/68/92/952916892.db2.gz LWWREXKDPANOPD-CYBMUJFWSA-N -1 3 381.444 0.963 20 0 GCADHM CCS(=O)(=O)N1CCC(CNC(=O)c2cc(-c3nnn[n-]3)[nH]c2C)CC1 ZINC001571188686 952918173 /nfs/dbraw/zinc/91/81/73/952918173.db2.gz GIICXSKKPAABAC-UHFFFAOYSA-N -1 3 381.462 0.295 20 0 GCADHM CCS(=O)(=O)N1CCC(CNC(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CC1 ZINC001571188686 952918178 /nfs/dbraw/zinc/91/81/78/952918178.db2.gz GIICXSKKPAABAC-UHFFFAOYSA-N -1 3 381.462 0.295 20 0 GCADHM Cc1nc(N(C)[C@@H]2CCN(C(=O)CCn3ccnc3)C2)ccc1-c1nn[n-]n1 ZINC001571188632 952918257 /nfs/dbraw/zinc/91/82/57/952918257.db2.gz FLYJMUYIFQJSQN-CQSZACIVSA-N -1 3 381.444 0.894 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(CNC(=O)c3cncn3C)CC2)n1 ZINC001571188834 952920956 /nfs/dbraw/zinc/92/09/56/952920956.db2.gz NOBFSLSSRPWHSM-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(CNC(=O)c3cncn3C)CC2)n1 ZINC001571188834 952920960 /nfs/dbraw/zinc/92/09/60/952920960.db2.gz NOBFSLSSRPWHSM-UHFFFAOYSA-N -1 3 381.444 0.950 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(NC(=O)Cc3cncn3C)CC2)n1 ZINC001571189060 952923610 /nfs/dbraw/zinc/92/36/10/952923610.db2.gz RGEMTDSCEDATBN-UHFFFAOYSA-N -1 3 381.444 0.631 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(NC(=O)Cc3cncn3C)CC2)n1 ZINC001571189060 952923617 /nfs/dbraw/zinc/92/36/17/952923617.db2.gz RGEMTDSCEDATBN-UHFFFAOYSA-N -1 3 381.444 0.631 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C)n1 ZINC001571189044 952923648 /nfs/dbraw/zinc/92/36/48/952923648.db2.gz QPBIPJSKDIJIKV-IUODEOHRSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C)n1 ZINC001571189044 952923652 /nfs/dbraw/zinc/92/36/52/952923652.db2.gz QPBIPJSKDIJIKV-IUODEOHRSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)Cc3cncn3C)[C@H]2C)n1 ZINC001571189046 952924044 /nfs/dbraw/zinc/92/40/44/952924044.db2.gz QPBIPJSKDIJIKV-WFASDCNBSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)Cc3cncn3C)[C@H]2C)n1 ZINC001571189046 952924046 /nfs/dbraw/zinc/92/40/46/952924046.db2.gz QPBIPJSKDIJIKV-WFASDCNBSA-N -1 3 381.444 0.948 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571189231 952927040 /nfs/dbraw/zinc/92/70/40/952927040.db2.gz SXCDWQQEMQKWCR-ZDUSSCGKSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1cnn(C)c1C(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571189231 952927042 /nfs/dbraw/zinc/92/70/42/952927042.db2.gz SXCDWQQEMQKWCR-ZDUSSCGKSA-N -1 3 381.444 0.902 20 0 GCADHM Cc1nc(N(C)C[C@@H]2CCN(C(=O)Cn3cccn3)C2)ccc1-c1nnn[n-]1 ZINC001571189393 952929128 /nfs/dbraw/zinc/92/91/28/952929128.db2.gz QVQZEIKKJMLTOG-AWEZNQCLSA-N -1 3 381.444 0.752 20 0 GCADHM Cc1nc(N(C)C[C@@H]2CCN(C(=O)Cn3cccn3)C2)ccc1-c1nn[n-]n1 ZINC001571189393 952929134 /nfs/dbraw/zinc/92/91/34/952929134.db2.gz QVQZEIKKJMLTOG-AWEZNQCLSA-N -1 3 381.444 0.752 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)n1 ZINC001571189565 952931108 /nfs/dbraw/zinc/93/11/08/952931108.db2.gz XMAPQSNCBYOPJZ-CYBMUJFWSA-N -1 3 381.444 0.867 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)C2)n1 ZINC001571189565 952931113 /nfs/dbraw/zinc/93/11/13/952931113.db2.gz XMAPQSNCBYOPJZ-CYBMUJFWSA-N -1 3 381.444 0.867 20 0 GCADHM Cc1nn(C)cc1CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001571189606 952931879 /nfs/dbraw/zinc/93/18/79/952931879.db2.gz YERVBILJUTYZTM-CQSZACIVSA-N -1 3 381.444 0.550 20 0 GCADHM Cc1nn(C)cc1CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571189606 952931882 /nfs/dbraw/zinc/93/18/82/952931882.db2.gz YERVBILJUTYZTM-CQSZACIVSA-N -1 3 381.444 0.550 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCN(Cc2cc3n(n2)CCC3)CC1 ZINC001571189776 952935203 /nfs/dbraw/zinc/93/52/03/952935203.db2.gz UJJIETNPOXMPFK-UHFFFAOYSA-N -1 3 381.444 0.686 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCN(Cc2cc3n(n2)CCC3)CC1 ZINC001571189776 952935205 /nfs/dbraw/zinc/93/52/05/952935205.db2.gz UJJIETNPOXMPFK-UHFFFAOYSA-N -1 3 381.444 0.686 20 0 GCADHM C[C@@H]1C[C@H]1C(=O)N1CCN(C2CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001571190451 952941617 /nfs/dbraw/zinc/94/16/17/952941617.db2.gz IPMBTKZDDXRNOH-RDTXWAMCSA-N -1 3 381.484 0.851 20 0 GCADHM O=C(N[C@@H](CO)[C@H]1CCOC1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC001571192852 952950269 /nfs/dbraw/zinc/95/02/69/952950269.db2.gz XHSNLWGIWSLNLJ-UFBFGSQYSA-N -1 3 382.218 0.756 20 0 GCADHM O=C(N[C@@H](CO)[C@H]1CCOC1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC001571192852 952950274 /nfs/dbraw/zinc/95/02/74/952950274.db2.gz XHSNLWGIWSLNLJ-UFBFGSQYSA-N -1 3 382.218 0.756 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ocnc1C1CC1 ZINC001571193977 952955424 /nfs/dbraw/zinc/95/54/24/952955424.db2.gz CLUVTTRFLBSREQ-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ocnc1C1CC1 ZINC001571193977 952955429 /nfs/dbraw/zinc/95/54/29/952955429.db2.gz CLUVTTRFLBSREQ-LLVKDONJSA-N -1 3 382.384 0.705 20 0 GCADHM Cc1cc(=O)[nH]cc1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571194133 952958385 /nfs/dbraw/zinc/95/83/85/952958385.db2.gz GVACJVYMSFVJRC-XYPYZODXSA-N -1 3 382.384 0.295 20 0 GCADHM Cc1cc(=O)[nH]cc1C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571194133 952958386 /nfs/dbraw/zinc/95/83/86/952958386.db2.gz GVACJVYMSFVJRC-XYPYZODXSA-N -1 3 382.384 0.295 20 0 GCADHM NC(=O)c1ccc(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nnn[n-]3)C2)o1 ZINC001571194312 952960885 /nfs/dbraw/zinc/96/08/85/952960885.db2.gz KCEVGTJCBGWOTP-MGCOHNPYSA-N -1 3 382.384 0.574 20 0 GCADHM NC(=O)c1ccc(C(=O)NC[C@H]2C[C@H](Nc3ncccc3-c3nn[n-]n3)C2)o1 ZINC001571194312 952960889 /nfs/dbraw/zinc/96/08/89/952960889.db2.gz KCEVGTJCBGWOTP-MGCOHNPYSA-N -1 3 382.384 0.574 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21)c1cccc(=O)[nH]1 ZINC001571194392 952962037 /nfs/dbraw/zinc/96/20/37/952962037.db2.gz LJYPQLROQVAMHS-MSRIBSCDSA-N -1 3 382.359 0.366 20 0 GCADHM O=C(N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21)c1cccc(=O)[nH]1 ZINC001571194392 952962040 /nfs/dbraw/zinc/96/20/40/952962040.db2.gz LJYPQLROQVAMHS-MSRIBSCDSA-N -1 3 382.359 0.366 20 0 GCADHM COc1ncccc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194391 952962386 /nfs/dbraw/zinc/96/23/86/952962386.db2.gz LIZOGAWFZCIRQP-NSHDSACASA-N -1 3 382.384 0.243 20 0 GCADHM COc1ncccc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194391 952962390 /nfs/dbraw/zinc/96/23/90/952962390.db2.gz LIZOGAWFZCIRQP-NSHDSACASA-N -1 3 382.384 0.243 20 0 GCADHM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1C(=O)c1cc[nH]c(=O)c1 ZINC001571194509 952964050 /nfs/dbraw/zinc/96/40/50/952964050.db2.gz OFZZHIDCDCGRCP-ONGXEEELSA-N -1 3 382.384 0.328 20 0 GCADHM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CN1C(=O)c1cc[nH]c(=O)c1 ZINC001571194509 952964053 /nfs/dbraw/zinc/96/40/53/952964053.db2.gz OFZZHIDCDCGRCP-ONGXEEELSA-N -1 3 382.384 0.328 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c(=O)[nH]1 ZINC001571194537 952964451 /nfs/dbraw/zinc/96/44/51/952964451.db2.gz OQOPDFVBFWJHQK-XYPYZODXSA-N -1 3 382.384 0.295 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c(=O)[nH]1 ZINC001571194537 952964454 /nfs/dbraw/zinc/96/44/54/952964454.db2.gz OQOPDFVBFWJHQK-XYPYZODXSA-N -1 3 382.384 0.295 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)c1cnco1)CC2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194634 952965939 /nfs/dbraw/zinc/96/59/39/952965939.db2.gz PFWJYWYCMIISNZ-DYVFJYSZSA-N -1 3 382.384 0.750 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(C(=O)c1cnco1)CC2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194634 952965944 /nfs/dbraw/zinc/96/59/44/952965944.db2.gz PFWJYWYCMIISNZ-DYVFJYSZSA-N -1 3 382.384 0.750 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3ccc(C(N)=O)o3)C2)n1 ZINC001571194663 952966868 /nfs/dbraw/zinc/96/68/68/952966868.db2.gz QAMOQXJCCICLQF-SNVBAGLBSA-N -1 3 382.384 0.271 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)c3ccc(C(N)=O)o3)C2)n1 ZINC001571194663 952966874 /nfs/dbraw/zinc/96/68/74/952966874.db2.gz QAMOQXJCCICLQF-SNVBAGLBSA-N -1 3 382.384 0.271 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnco1)C2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571195031 952972334 /nfs/dbraw/zinc/97/23/34/952972334.db2.gz WPHREXNUURRZLD-WCQGTBRESA-N -1 3 382.384 0.606 20 0 GCADHM O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cnco1)C2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571195031 952972341 /nfs/dbraw/zinc/97/23/41/952972341.db2.gz WPHREXNUURRZLD-WCQGTBRESA-N -1 3 382.384 0.606 20 0 GCADHM Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC001571197208 952987309 /nfs/dbraw/zinc/98/73/09/952987309.db2.gz UGCHVIQUCWNOHT-KBPBESRZSA-N -1 3 382.403 0.838 20 0 GCADHM Cn1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC001571197208 952987312 /nfs/dbraw/zinc/98/73/12/952987312.db2.gz UGCHVIQUCWNOHT-KBPBESRZSA-N -1 3 382.403 0.838 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ccn1C ZINC001571198554 952991261 /nfs/dbraw/zinc/99/12/61/952991261.db2.gz CBESKFAUKJWXGU-CYBMUJFWSA-N -1 3 382.428 0.876 20 0 GCADHM Cc1c(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ccn1C ZINC001571198554 952991265 /nfs/dbraw/zinc/99/12/65/952991265.db2.gz CBESKFAUKJWXGU-CYBMUJFWSA-N -1 3 382.428 0.876 20 0 GCADHM COc1nn(C)cc1C(=O)NC[C@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001571198764 952993421 /nfs/dbraw/zinc/99/34/21/952993421.db2.gz FUXJLJJLLWXECX-CQSZACIVSA-N -1 3 382.428 0.613 20 0 GCADHM COc1ccc(CN2CC[C@@H](N(C)C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571198972 952995018 /nfs/dbraw/zinc/99/50/18/952995018.db2.gz JFEFWSQZHXXZPD-CQSZACIVSA-N -1 3 382.428 0.945 20 0 GCADHM COc1ccc(CN2CC[C@@H](N(C)C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571198972 952995020 /nfs/dbraw/zinc/99/50/20/952995020.db2.gz JFEFWSQZHXXZPD-CQSZACIVSA-N -1 3 382.428 0.945 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001571199004 952995101 /nfs/dbraw/zinc/99/51/01/952995101.db2.gz JVWJUSIQOUPEDC-MBNYWOFBSA-N -1 3 382.428 0.062 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001571199004 952995106 /nfs/dbraw/zinc/99/51/06/952995106.db2.gz JVWJUSIQOUPEDC-MBNYWOFBSA-N -1 3 382.428 0.062 20 0 GCADHM COc1ccc(CN2CC(NC(=O)c3[nH]c(C)nc3C)C2)cc1-c1nnn[n-]1 ZINC001571199547 953002272 /nfs/dbraw/zinc/00/22/72/953002272.db2.gz UTDAVXVPFSEZSY-UHFFFAOYSA-N -1 3 382.428 0.829 20 0 GCADHM COc1ccc(CN2CC(NC(=O)c3[nH]c(C)nc3C)C2)cc1-c1nn[n-]n1 ZINC001571199547 953002273 /nfs/dbraw/zinc/00/22/73/953002273.db2.gz UTDAVXVPFSEZSY-UHFFFAOYSA-N -1 3 382.428 0.829 20 0 GCADHM CCn1ccnc1C(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC001571199677 953002777 /nfs/dbraw/zinc/00/27/77/953002777.db2.gz YUCGETVDWHBHBL-UHFFFAOYSA-N -1 3 382.428 0.706 20 0 GCADHM COc1ccc(CN2CCN(C(=O)Cn3cccn3)CC2)cc1-c1nnn[n-]1 ZINC001571199648 953002826 /nfs/dbraw/zinc/00/28/26/953002826.db2.gz XRTXIFMRFZXOBU-UHFFFAOYSA-N -1 3 382.428 0.416 20 0 GCADHM COc1ccc(CN2CCN(C(=O)Cn3cccn3)CC2)cc1-c1nn[n-]n1 ZINC001571199648 953002828 /nfs/dbraw/zinc/00/28/28/953002828.db2.gz XRTXIFMRFZXOBU-UHFFFAOYSA-N -1 3 382.428 0.416 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cccc1 ZINC001571199783 953005764 /nfs/dbraw/zinc/00/57/64/953005764.db2.gz BWTBYTMNABXCDM-CYBMUJFWSA-N -1 3 382.428 0.932 20 0 GCADHM C[C@H](CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cccc1 ZINC001571199783 953005767 /nfs/dbraw/zinc/00/57/67/953005767.db2.gz BWTBYTMNABXCDM-CYBMUJFWSA-N -1 3 382.428 0.932 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)n1C ZINC001571200112 953008025 /nfs/dbraw/zinc/00/80/25/953008025.db2.gz AWBOSCOVAKDXCL-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)n1C ZINC001571200112 953008031 /nfs/dbraw/zinc/00/80/31/953008031.db2.gz AWBOSCOVAKDXCL-AAEUAGOBSA-N -1 3 382.428 0.875 20 0 GCADHM CS(=O)(=O)CC(=O)N1CC[C@@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001571200765 953011931 /nfs/dbraw/zinc/01/19/31/953011931.db2.gz LNIDIJAHXJXDSH-JTQLQIEISA-N -1 3 382.421 0.311 20 0 GCADHM CS(=O)(=O)CC(=O)N1CC[C@@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001571200765 953011936 /nfs/dbraw/zinc/01/19/36/953011936.db2.gz LNIDIJAHXJXDSH-JTQLQIEISA-N -1 3 382.421 0.311 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2COCCN2Cc2ccccc2-c2nnn[n-]2)[nH]n1 ZINC001571201070 953014274 /nfs/dbraw/zinc/01/42/74/953014274.db2.gz JGIYAOKTBZYFBC-AWEZNQCLSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1cc(C(=O)NC[C@H]2COCCN2Cc2ccccc2-c2nn[n-]n2)[nH]n1 ZINC001571201070 953014280 /nfs/dbraw/zinc/01/42/80/953014280.db2.gz JGIYAOKTBZYFBC-AWEZNQCLSA-N -1 3 382.428 0.529 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571201324 953016224 /nfs/dbraw/zinc/01/62/24/953016224.db2.gz JZAHJBQITBERLP-LLVKDONJSA-N -1 3 382.428 0.732 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571201324 953016232 /nfs/dbraw/zinc/01/62/32/953016232.db2.gz JZAHJBQITBERLP-LLVKDONJSA-N -1 3 382.428 0.732 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571202144 953022734 /nfs/dbraw/zinc/02/27/34/953022734.db2.gz REAJJZZDZUBBNV-VXGBXAGGSA-N -1 3 382.428 0.875 20 0 GCADHM Cc1ccn(C)c1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571202144 953022735 /nfs/dbraw/zinc/02/27/35/953022735.db2.gz REAJJZZDZUBBNV-VXGBXAGGSA-N -1 3 382.428 0.875 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C)n1cccc1 ZINC001571202431 953024939 /nfs/dbraw/zinc/02/49/39/953024939.db2.gz WRCYNGIZVXUARP-DYEKYZERSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C)n1cccc1 ZINC001571202431 953024946 /nfs/dbraw/zinc/02/49/46/953024946.db2.gz WRCYNGIZVXUARP-DYEKYZERSA-N -1 3 382.428 0.977 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001571202485 953025401 /nfs/dbraw/zinc/02/54/01/953025401.db2.gz YSRCRDFSXXHYTP-RWMBFGLXSA-N -1 3 382.428 0.882 20 0 GCADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001571202485 953025406 /nfs/dbraw/zinc/02/54/06/953025406.db2.gz YSRCRDFSXXHYTP-RWMBFGLXSA-N -1 3 382.428 0.882 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001571204535 953029950 /nfs/dbraw/zinc/02/99/50/953029950.db2.gz AIUFEKDHTSAHCN-LBPRGKRZSA-N -1 3 382.432 0.472 20 0 GCADHM CCn1cc(C(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001571204535 953029954 /nfs/dbraw/zinc/02/99/54/953029954.db2.gz AIUFEKDHTSAHCN-LBPRGKRZSA-N -1 3 382.432 0.472 20 0 GCADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001571205141 953036397 /nfs/dbraw/zinc/03/63/97/953036397.db2.gz GHQQXTLJOLHFMS-QWHCGFSZSA-N -1 3 382.432 0.592 20 0 GCADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001571205141 953036401 /nfs/dbraw/zinc/03/64/01/953036401.db2.gz GHQQXTLJOLHFMS-QWHCGFSZSA-N -1 3 382.432 0.592 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571205383 953038346 /nfs/dbraw/zinc/03/83/46/953038346.db2.gz IPTRSKMLWLHXKJ-BNOWGMLFSA-N -1 3 382.428 0.110 20 0 GCADHM O=C(C[C@H]1CCC(=O)N1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571205383 953038350 /nfs/dbraw/zinc/03/83/50/953038350.db2.gz IPTRSKMLWLHXKJ-BNOWGMLFSA-N -1 3 382.428 0.110 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571205461 953039581 /nfs/dbraw/zinc/03/95/81/953039581.db2.gz JKLMTEQMEIFRGE-VXGBXAGGSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571205461 953039585 /nfs/dbraw/zinc/03/95/85/953039585.db2.gz JKLMTEQMEIFRGE-VXGBXAGGSA-N -1 3 382.432 0.662 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001571205642 953040679 /nfs/dbraw/zinc/04/06/79/953040679.db2.gz MJHFWKNCOOARQF-CMPLNLGQSA-N -1 3 382.432 0.616 20 0 GCADHM C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001571205642 953040683 /nfs/dbraw/zinc/04/06/83/953040683.db2.gz MJHFWKNCOOARQF-CMPLNLGQSA-N -1 3 382.432 0.616 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571205734 953041452 /nfs/dbraw/zinc/04/14/52/953041452.db2.gz LDSQPDDHOZNCKN-SMDDNHRTSA-N -1 3 382.428 0.862 20 0 GCADHM Cn1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571205734 953041456 /nfs/dbraw/zinc/04/14/56/953041456.db2.gz LDSQPDDHOZNCKN-SMDDNHRTSA-N -1 3 382.428 0.862 20 0 GCADHM Cn1nccc1C1(O)CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571205769 953042599 /nfs/dbraw/zinc/04/25/99/953042599.db2.gz LSIIMSPJTXLOLF-OAHLLOKOSA-N -1 3 382.428 0.110 20 0 GCADHM CCc1nc[nH]c1C(=O)N1C[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C[C@@H]1C ZINC001571205883 953043861 /nfs/dbraw/zinc/04/38/61/953043861.db2.gz NIZCLMKCCTVZNV-QWRGUYRKSA-N -1 3 382.432 0.966 20 0 GCADHM CCc1cc(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571205984 953044580 /nfs/dbraw/zinc/04/45/80/953044580.db2.gz QAJCCTIVDJLFOT-LBPRGKRZSA-N -1 3 382.432 0.967 20 0 GCADHM CCc1cc(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nn[n-]n4)n3)C2)[nH]n1 ZINC001571205984 953044585 /nfs/dbraw/zinc/04/45/85/953044585.db2.gz QAJCCTIVDJLFOT-LBPRGKRZSA-N -1 3 382.432 0.967 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001571205920 953045095 /nfs/dbraw/zinc/04/50/95/953045095.db2.gz OKKLRTPMKXEEEL-GXTWGEPZSA-N -1 3 382.432 0.486 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001571205920 953045098 /nfs/dbraw/zinc/04/50/98/953045098.db2.gz OKKLRTPMKXEEEL-GXTWGEPZSA-N -1 3 382.432 0.486 20 0 GCADHM Cc1[nH]nc(C(=O)N[C@H]2CCCN(c3nc(C)cc(-c4nnn[n-]4)n3)C2)c1C ZINC001571206279 953049433 /nfs/dbraw/zinc/04/94/33/953049433.db2.gz FHKHUARIQTVUBN-LBPRGKRZSA-N -1 3 382.432 0.704 20 0 GCADHM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001571206346 953049985 /nfs/dbraw/zinc/04/99/85/953049985.db2.gz UDKACCQXTRWBPP-BXUZGUMPSA-N -1 3 382.432 0.804 20 0 GCADHM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001571206346 953049987 /nfs/dbraw/zinc/04/99/87/953049987.db2.gz UDKACCQXTRWBPP-BXUZGUMPSA-N -1 3 382.432 0.804 20 0 GCADHM C[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571206330 953050483 /nfs/dbraw/zinc/05/04/83/953050483.db2.gz TYQBGYGOIUDZDO-VXGBXAGGSA-N -1 3 382.432 0.662 20 0 GCADHM Cc1nc[nH]c1CC(=O)N1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C(C)(C)C1 ZINC001571206399 953051102 /nfs/dbraw/zinc/05/11/02/953051102.db2.gz GHOGFFIHUVTBQB-ZDUSSCGKSA-N -1 3 382.432 0.580 20 0 GCADHM O=C(NCc1cncc(-c2nnn[n-]2)c1)c1cccn1CCN1CCOCC1 ZINC001571206573 953052661 /nfs/dbraw/zinc/05/26/61/953052661.db2.gz RBELJUOBAYRGCA-UHFFFAOYSA-N -1 3 382.428 0.325 20 0 GCADHM O=C(NCc1cncc(-c2nn[n-]n2)c1)c1cccn1CCN1CCOCC1 ZINC001571206573 953052666 /nfs/dbraw/zinc/05/26/66/953052666.db2.gz RBELJUOBAYRGCA-UHFFFAOYSA-N -1 3 382.428 0.325 20 0 GCADHM CCc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)nn1C ZINC001571206734 953054659 /nfs/dbraw/zinc/05/46/59/953054659.db2.gz WZSMDOWZXXAALX-QMTHXVAHSA-N -1 3 382.432 0.525 20 0 GCADHM CCc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)nn1C ZINC001571206734 953054662 /nfs/dbraw/zinc/05/46/62/953054662.db2.gz WZSMDOWZXXAALX-QMTHXVAHSA-N -1 3 382.432 0.525 20 0 GCADHM CN(CC1CCN(C(=O)Cn2cccn2)CC1)c1nccnc1-c1nnn[n-]1 ZINC001571206744 953054963 /nfs/dbraw/zinc/05/49/63/953054963.db2.gz KDPAIGDILCJYJH-UHFFFAOYSA-N -1 3 382.432 0.228 20 0 GCADHM CN(CC1CCN(C(=O)Cn2cccn2)CC1)c1nccnc1-c1nn[n-]n1 ZINC001571206744 953054967 /nfs/dbraw/zinc/05/49/67/953054967.db2.gz KDPAIGDILCJYJH-UHFFFAOYSA-N -1 3 382.432 0.228 20 0 GCADHM CCn1cc(CC(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)[C@@H](C)C2)cn1 ZINC001571206755 953055003 /nfs/dbraw/zinc/05/50/03/953055003.db2.gz KNLSWFVBCUPRRS-AAEUAGOBSA-N -1 3 382.432 0.375 20 0 GCADHM CCn1cc(CC(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)[C@@H](C)C2)cn1 ZINC001571206755 953055009 /nfs/dbraw/zinc/05/50/09/953055009.db2.gz KNLSWFVBCUPRRS-AAEUAGOBSA-N -1 3 382.432 0.375 20 0 GCADHM CCc1nc(N[C@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)cc(-c2nnn[n-]2)n1 ZINC001571206777 953055180 /nfs/dbraw/zinc/05/51/80/953055180.db2.gz XERFNGBYKSRTAP-NSHDSACASA-N -1 3 382.432 0.886 20 0 GCADHM CCc1nc(N[C@H]2CCN(C(=O)c3n[nH]c(C)c3C)C2)cc(-c2nn[n-]n2)n1 ZINC001571206777 953055186 /nfs/dbraw/zinc/05/51/86/953055186.db2.gz XERFNGBYKSRTAP-NSHDSACASA-N -1 3 382.432 0.886 20 0 GCADHM CCn1cc(CC(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nnn[n-]3)C2)cn1 ZINC001571206760 953055217 /nfs/dbraw/zinc/05/52/17/953055217.db2.gz KNLSWFVBCUPRRS-WCQYABFASA-N -1 3 382.432 0.375 20 0 GCADHM CCn1cc(CC(=O)N2C[C@H](C)[C@H](Nc3nccnc3-c3nn[n-]n3)C2)cn1 ZINC001571206760 953055221 /nfs/dbraw/zinc/05/52/21/953055221.db2.gz KNLSWFVBCUPRRS-WCQYABFASA-N -1 3 382.432 0.375 20 0 GCADHM CCn1nncc1C(=O)NC1CC(CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571206825 953056119 /nfs/dbraw/zinc/05/61/19/953056119.db2.gz LBVVJOXNRDSAAK-UHFFFAOYSA-N -1 3 382.432 0.802 20 0 GCADHM CCn1nncc1C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571206825 953056121 /nfs/dbraw/zinc/05/61/21/953056121.db2.gz LBVVJOXNRDSAAK-UHFFFAOYSA-N -1 3 382.432 0.802 20 0 GCADHM CCC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)Cn2ccnc2)CC1 ZINC001571206800 953056593 /nfs/dbraw/zinc/05/65/93/953056593.db2.gz XKSSJTHSTLUXIE-UHFFFAOYSA-N -1 3 382.432 0.737 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)c2cnn(C)c2N)CC1 ZINC001571207048 953059450 /nfs/dbraw/zinc/05/94/50/953059450.db2.gz MAYLJYZDQYOMBG-UHFFFAOYSA-N -1 3 382.432 0.318 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)C1CCN(C(=O)c2cnn(C)c2N)CC1 ZINC001571207048 953059453 /nfs/dbraw/zinc/05/94/53/953059453.db2.gz MAYLJYZDQYOMBG-UHFFFAOYSA-N -1 3 382.432 0.318 20 0 GCADHM O=C(Cc1ccc[nH]1)N[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571207118 953060283 /nfs/dbraw/zinc/06/02/83/953060283.db2.gz VXDOWJMUOUJTBF-STQMWFEESA-N -1 3 382.428 0.923 20 0 GCADHM O=C(Cc1ccc[nH]1)N[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571207118 953060286 /nfs/dbraw/zinc/06/02/86/953060286.db2.gz VXDOWJMUOUJTBF-STQMWFEESA-N -1 3 382.428 0.923 20 0 GCADHM CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)c1c[nH]cn1 ZINC001571207222 953061267 /nfs/dbraw/zinc/06/12/67/953061267.db2.gz XPWSDJHENVTNCQ-NSHDSACASA-N -1 3 382.432 0.443 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571207448 953063408 /nfs/dbraw/zinc/06/34/08/953063408.db2.gz RSUVUVCDMSTMNY-VXGBXAGGSA-N -1 3 382.432 0.628 20 0 GCADHM Cc1nc[nH]c1CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571207448 953063411 /nfs/dbraw/zinc/06/34/11/953063411.db2.gz RSUVUVCDMSTMNY-VXGBXAGGSA-N -1 3 382.432 0.628 20 0 GCADHM CCn1nc(C)c(C(=O)N2C[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C[C@@H]2C)n1 ZINC001571207462 953063960 /nfs/dbraw/zinc/06/39/60/953063960.db2.gz SCHFSFWATMWGDU-GWCFXTLKSA-N -1 3 382.432 0.897 20 0 GCADHM CCn1nc(C)c(C(=O)N2C[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C[C@@H]2C)n1 ZINC001571207462 953063963 /nfs/dbraw/zinc/06/39/63/953063963.db2.gz SCHFSFWATMWGDU-GWCFXTLKSA-N -1 3 382.432 0.897 20 0 GCADHM CCn1nc(C)c(C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)n1 ZINC001571207449 953063982 /nfs/dbraw/zinc/06/39/82/953063982.db2.gz RUBLRTIQORXFKI-GFCCVEGCSA-N -1 3 382.432 0.499 20 0 GCADHM CCn1nc(C)c(C(=O)N[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)n1 ZINC001571207449 953063985 /nfs/dbraw/zinc/06/39/85/953063985.db2.gz RUBLRTIQORXFKI-GFCCVEGCSA-N -1 3 382.432 0.499 20 0 GCADHM O=C(CCc1c[nH]cn1)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571209686 953066395 /nfs/dbraw/zinc/06/63/95/953066395.db2.gz AYEZQYKVCXHHCN-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM O=C(CCc1c[nH]cn1)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571209686 953066397 /nfs/dbraw/zinc/06/63/97/953066397.db2.gz AYEZQYKVCXHHCN-GFCCVEGCSA-N -1 3 382.432 0.663 20 0 GCADHM O=C(Cc1nnc[nH]1)N1CCCCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571210753 953073907 /nfs/dbraw/zinc/07/39/07/953073907.db2.gz WHUVRCKZSLJYJM-GFCCVEGCSA-N -1 3 382.432 0.806 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)[nH]n1 ZINC001571211612 953078385 /nfs/dbraw/zinc/07/83/85/953078385.db2.gz CFGOASSWDJWYPV-LBPRGKRZSA-N -1 3 382.432 0.819 20 0 GCADHM Cc1cc(C(=O)N2CCCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)[nH]n1 ZINC001571211612 953078389 /nfs/dbraw/zinc/07/83/89/953078389.db2.gz CFGOASSWDJWYPV-LBPRGKRZSA-N -1 3 382.432 0.819 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nnn[n-]3)[C@H](C)C2)[nH]n1 ZINC001571211610 953078906 /nfs/dbraw/zinc/07/89/06/953078906.db2.gz CCGNGEFACHOFTR-PWSUYJOCSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[n-]n3)[C@H](C)C2)[nH]n1 ZINC001571211610 953078909 /nfs/dbraw/zinc/07/89/09/953078909.db2.gz CCGNGEFACHOFTR-PWSUYJOCSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1nnc(CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)cn2)[nH]1 ZINC001571211682 953079622 /nfs/dbraw/zinc/07/96/22/953079622.db2.gz FMRUZMYSITXXPJ-ZDUSSCGKSA-N -1 3 382.432 0.724 20 0 GCADHM Cc1cncn1CC(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571211851 953081571 /nfs/dbraw/zinc/08/15/71/953081571.db2.gz HILIIIMMEBPCCJ-OLZOCXBDSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1cncn1CC(=O)N1CC[C@H]([C@@H](C)Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571211851 953081577 /nfs/dbraw/zinc/08/15/77/953081577.db2.gz HILIIIMMEBPCCJ-OLZOCXBDSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@H](CCNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001571212347 953087334 /nfs/dbraw/zinc/08/73/34/953087334.db2.gz MCCBVKOFNMRPPR-LBPRGKRZSA-N -1 3 382.432 0.961 20 0 GCADHM Cc1nc(N[C@@H](C)[C@H]2CCN(C(=O)Cn3cncn3)C2)ccc1-c1nnn[n-]1 ZINC001571212832 953090037 /nfs/dbraw/zinc/09/00/37/953090037.db2.gz PNTSVYONUUKSLP-AAEUAGOBSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1nc(N[C@@H](C)[C@H]2CCN(C(=O)Cn3cncn3)C2)ccc1-c1nn[n-]n1 ZINC001571212832 953090043 /nfs/dbraw/zinc/09/00/43/953090043.db2.gz PNTSVYONUUKSLP-AAEUAGOBSA-N -1 3 382.432 0.511 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@@H](NC(=O)c3cnnn3C)C2)n1 ZINC001571213498 953095171 /nfs/dbraw/zinc/09/51/71/953095171.db2.gz VCZSPUADTJJNEC-VXGBXAGGSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@@H](NC(=O)c3cnnn3C)C2)n1 ZINC001571213498 953095180 /nfs/dbraw/zinc/09/51/80/953095180.db2.gz VCZSPUADTJJNEC-VXGBXAGGSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCC[C@H](NC(=O)c3cnnn3C)C2)n1 ZINC001571213497 953095223 /nfs/dbraw/zinc/09/52/23/953095223.db2.gz VCZSPUADTJJNEC-RYUDHWBXSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCC[C@H](NC(=O)c3cnnn3C)C2)n1 ZINC001571213497 953095227 /nfs/dbraw/zinc/09/52/27/953095227.db2.gz VCZSPUADTJJNEC-RYUDHWBXSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@H](NC(=O)c3cnnn3C)C2)n1 ZINC001571213495 953095576 /nfs/dbraw/zinc/09/55/76/953095576.db2.gz VCZSPUADTJJNEC-NEPJUHHUSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@H](NC(=O)c3cnnn3C)C2)n1 ZINC001571213495 953095579 /nfs/dbraw/zinc/09/55/79/953095579.db2.gz VCZSPUADTJJNEC-NEPJUHHUSA-N -1 3 382.432 0.852 20 0 GCADHM Cc1n[nH]nc1C(=O)N1CC[C@H](C)[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571213833 953097317 /nfs/dbraw/zinc/09/73/17/953097317.db2.gz XLXOTTPAXYWSGO-JQWIXIFHSA-N -1 3 382.432 0.899 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](C)[C@H](CNc3ncccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571213796 953097429 /nfs/dbraw/zinc/09/74/29/953097429.db2.gz VXFBKQFLZVLIAM-CMPLNLGQSA-N -1 3 382.432 0.437 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@H](C)[C@H](CNc3ncccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571213796 953097435 /nfs/dbraw/zinc/09/74/35/953097435.db2.gz VXFBKQFLZVLIAM-CMPLNLGQSA-N -1 3 382.432 0.437 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)n1 ZINC001571213842 953097710 /nfs/dbraw/zinc/09/77/10/953097710.db2.gz XMSDKWCVEBPTCK-QWHCGFSZSA-N -1 3 382.432 0.826 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)n1 ZINC001571213842 953097711 /nfs/dbraw/zinc/09/77/11/953097711.db2.gz XMSDKWCVEBPTCK-QWHCGFSZSA-N -1 3 382.432 0.826 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571213799 953097718 /nfs/dbraw/zinc/09/77/18/953097718.db2.gz VXFBKQFLZVLIAM-PWSUYJOCSA-N -1 3 382.432 0.437 20 0 GCADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571213799 953097720 /nfs/dbraw/zinc/09/77/20/953097720.db2.gz VXFBKQFLZVLIAM-PWSUYJOCSA-N -1 3 382.432 0.437 20 0 GCADHM CC1(C(=O)N2CCN([C@@H]3CCN(c4ccc(-c5nnn[n-]5)nc4)C3)CC2)CC1 ZINC001571214092 953099676 /nfs/dbraw/zinc/09/96/76/953099676.db2.gz WQIZKCUNLFPWJZ-OAHLLOKOSA-N -1 3 382.472 0.785 20 0 GCADHM CC1(C(=O)N2CCN([C@@H]3CCN(c4ccc(-c5nn[n-]n5)nc4)C3)CC2)CC1 ZINC001571214092 953099681 /nfs/dbraw/zinc/09/96/81/953099681.db2.gz WQIZKCUNLFPWJZ-OAHLLOKOSA-N -1 3 382.472 0.785 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1cccc(F)c1 ZINC001571217281 953107177 /nfs/dbraw/zinc/10/71/77/953107177.db2.gz HTBZJZGLKYHQHU-ZBFHGGJFSA-N -1 3 383.387 0.770 20 0 GCADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1cccc(F)c1 ZINC001571217281 953107180 /nfs/dbraw/zinc/10/71/80/953107180.db2.gz HTBZJZGLKYHQHU-ZBFHGGJFSA-N -1 3 383.387 0.770 20 0 GCADHM C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001571217561 953109076 /nfs/dbraw/zinc/10/90/76/953109076.db2.gz NPADVAAYPIYKDR-BXKDBHETSA-N -1 3 383.391 0.951 20 0 GCADHM C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001571217561 953109082 /nfs/dbraw/zinc/10/90/82/953109082.db2.gz NPADVAAYPIYKDR-BXKDBHETSA-N -1 3 383.391 0.951 20 0 GCADHM O=C(Cc1ccc(F)cc1)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571217826 953111187 /nfs/dbraw/zinc/11/11/87/953111187.db2.gz PMLJXZKXIBTFRR-CYBMUJFWSA-N -1 3 383.387 0.907 20 0 GCADHM O=C(Cc1ccc(F)cc1)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571217826 953111190 /nfs/dbraw/zinc/11/11/90/953111190.db2.gz PMLJXZKXIBTFRR-CYBMUJFWSA-N -1 3 383.387 0.907 20 0 GCADHM O=C([C@@H]1CC1(F)F)N1CCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571218921 953120930 /nfs/dbraw/zinc/12/09/30/953120930.db2.gz SMHJSYPBGKASFN-UWVGGRQHSA-N -1 3 383.334 0.695 20 0 GCADHM O=C([C@@H]1CC1(F)F)N1CCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571218921 953120934 /nfs/dbraw/zinc/12/09/34/953120934.db2.gz SMHJSYPBGKASFN-UWVGGRQHSA-N -1 3 383.334 0.695 20 0 GCADHM CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001571218997 953121648 /nfs/dbraw/zinc/12/16/48/953121648.db2.gz JAUSGIRJQLWPJJ-NSHDSACASA-N -1 3 383.409 0.088 20 0 GCADHM CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001571218997 953121649 /nfs/dbraw/zinc/12/16/49/953121649.db2.gz JAUSGIRJQLWPJJ-NSHDSACASA-N -1 3 383.409 0.088 20 0 GCADHM CO[C@]12CCC[C@@]1(NS(=O)(=O)c1ccc(-c3nnn[n-]3)c(F)c1)CCO2 ZINC001571219486 953126032 /nfs/dbraw/zinc/12/60/32/953126032.db2.gz PCDJRURYNDCMHI-CABCVRRESA-N -1 3 383.405 0.970 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1 ZINC001571219702 953126688 /nfs/dbraw/zinc/12/66/88/953126688.db2.gz QIMQGXPOBORVSL-WXHSDQCUSA-N -1 3 383.391 0.523 20 0 GCADHM O=C(Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1 ZINC001571219702 953126690 /nfs/dbraw/zinc/12/66/90/953126690.db2.gz QIMQGXPOBORVSL-WXHSDQCUSA-N -1 3 383.391 0.523 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1C[C@@H](NC(=O)c2cc[nH]c2)[C@@H](O)C1 ZINC001571219940 953127750 /nfs/dbraw/zinc/12/77/50/953127750.db2.gz UJTUXXZDYDBLLS-CABCVRRESA-N -1 3 383.412 0.179 20 0 GCADHM Cc1cnc(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)[C@@H]2C)cn1 ZINC001571219993 953128621 /nfs/dbraw/zinc/12/86/21/953128621.db2.gz WPOHUFSFAYGYTM-MFKMUULPSA-N -1 3 383.391 0.896 20 0 GCADHM Cc1cnc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)[C@@H]2C)cn1 ZINC001571219993 953128626 /nfs/dbraw/zinc/12/86/26/953128626.db2.gz WPOHUFSFAYGYTM-MFKMUULPSA-N -1 3 383.391 0.896 20 0 GCADHM Cc1cc(C(=O)N2[C@H](CO)CC[C@H]2CO)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC001571220217 953129428 /nfs/dbraw/zinc/12/94/28/953129428.db2.gz ZEOCEAISRFOTEY-GJZGRUSLSA-N -1 3 383.412 0.319 20 0 GCADHM Cc1cc(C(=O)N2[C@H](CO)CC[C@H]2CO)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC001571220217 953129430 /nfs/dbraw/zinc/12/94/30/953129430.db2.gz ZEOCEAISRFOTEY-GJZGRUSLSA-N -1 3 383.412 0.319 20 0 GCADHM COC(=O)[C@@]1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1C ZINC001571220177 953129603 /nfs/dbraw/zinc/12/96/03/953129603.db2.gz YJODUDLJECASTM-VFZGTOFNSA-N -1 3 383.405 0.826 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571220211 953129652 /nfs/dbraw/zinc/12/96/52/953129652.db2.gz ZDFCNQUCLBXXPP-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM C[C@H](Cc1ccco1)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571220211 953129655 /nfs/dbraw/zinc/12/96/55/953129655.db2.gz ZDFCNQUCLBXXPP-DGCLKSJQSA-N -1 3 383.412 0.997 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222062 953130570 /nfs/dbraw/zinc/13/05/70/953130570.db2.gz BCPVYYIRQKBYOT-SECBINFHSA-N -1 3 383.416 0.371 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222062 953130573 /nfs/dbraw/zinc/13/05/73/953130573.db2.gz BCPVYYIRQKBYOT-SECBINFHSA-N -1 3 383.416 0.371 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571222063 953130588 /nfs/dbraw/zinc/13/05/88/953130588.db2.gz BCPVYYIRQKBYOT-VIFPVBQESA-N -1 3 383.416 0.371 20 0 GCADHM CCc1n[nH]cc1C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571222063 953130591 /nfs/dbraw/zinc/13/05/91/953130591.db2.gz BCPVYYIRQKBYOT-VIFPVBQESA-N -1 3 383.416 0.371 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001571222098 953130825 /nfs/dbraw/zinc/13/08/25/953130825.db2.gz CGKBRLJONWXQEV-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001571222098 953130828 /nfs/dbraw/zinc/13/08/28/953130828.db2.gz CGKBRLJONWXQEV-JQWIXIFHSA-N -1 3 383.416 0.063 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(c1ncccc1-c1nnn[n-]1)CC2)C1=COCCO1 ZINC001571222132 953131311 /nfs/dbraw/zinc/13/13/11/953131311.db2.gz CWXFMUSJIKZOBL-KDOFPFPSSA-N -1 3 383.412 0.768 20 0 GCADHM O=C(N[C@]12CCC[C@H]1N(c1ncccc1-c1nn[n-]n1)CC2)C1=COCCO1 ZINC001571222132 953131315 /nfs/dbraw/zinc/13/13/15/953131315.db2.gz CWXFMUSJIKZOBL-KDOFPFPSSA-N -1 3 383.412 0.768 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571222142 953131370 /nfs/dbraw/zinc/13/13/70/953131370.db2.gz CZCLGVZOHVPRJD-WDEREUQCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@H]1[C@H](NC(=O)Cc2ncc[nH]2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571222142 953131372 /nfs/dbraw/zinc/13/13/72/953131372.db2.gz CZCLGVZOHVPRJD-WDEREUQCSA-N -1 3 383.416 0.270 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571222137 953131380 /nfs/dbraw/zinc/13/13/80/953131380.db2.gz CXIOVLLFZUGPRQ-PWSUYJOCSA-N -1 3 383.416 0.664 20 0 GCADHM C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571222137 953131385 /nfs/dbraw/zinc/13/13/85/953131385.db2.gz CXIOVLLFZUGPRQ-PWSUYJOCSA-N -1 3 383.416 0.664 20 0 GCADHM 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C[C@@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571223212 953142215 /nfs/dbraw/zinc/14/22/15/953142215.db2.gz PZHSQEYHCIPEQY-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1[C@H](NCc2noc(C3CC3)n2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223212 953142217 /nfs/dbraw/zinc/14/22/17/953142217.db2.gz PZHSQEYHCIPEQY-BXKDBHETSA-N -1 3 383.416 0.848 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)CN1c1ncccc1-c1nnn[n-]1 ZINC001571223183 953142295 /nfs/dbraw/zinc/14/22/95/953142295.db2.gz PHBLWCMAKDUDBJ-GHMZBOCLSA-N -1 3 383.416 0.488 20 0 GCADHM C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)CN1c1ncccc1-c1nn[n-]n1 ZINC001571223183 953142298 /nfs/dbraw/zinc/14/22/98/953142298.db2.gz PHBLWCMAKDUDBJ-GHMZBOCLSA-N -1 3 383.416 0.488 20 0 GCADHM Cc1nc[nH]c1C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223229 953142455 /nfs/dbraw/zinc/14/24/55/953142455.db2.gz QVXPCGMSJMTUDZ-LBPRGKRZSA-N -1 3 383.416 0.651 20 0 GCADHM 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Cc1n[nH]cc1C(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571223259 953143216 /nfs/dbraw/zinc/14/32/16/953143216.db2.gz RWRHOLIGARYTRY-JQWIXIFHSA-N -1 3 383.416 0.555 20 0 GCADHM Cc1n[nH]cc1C(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571223259 953143219 /nfs/dbraw/zinc/14/32/19/953143219.db2.gz RWRHOLIGARYTRY-JQWIXIFHSA-N -1 3 383.416 0.555 20 0 GCADHM CCc1c[nH]c(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571223407 953144301 /nfs/dbraw/zinc/14/43/01/953144301.db2.gz QVCAACWOVRLSQM-LBPRGKRZSA-N -1 3 383.416 0.054 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001571223459 953144681 /nfs/dbraw/zinc/14/46/81/953144681.db2.gz REZXNMURUOAJSH-GHMZBOCLSA-N -1 3 383.416 0.446 20 0 GCADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)c1ncc[nH]1 ZINC001571223459 953144683 /nfs/dbraw/zinc/14/46/83/953144683.db2.gz REZXNMURUOAJSH-GHMZBOCLSA-N -1 3 383.416 0.446 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571223574 953145093 /nfs/dbraw/zinc/14/50/93/953145093.db2.gz VUARZXPGHQVMGC-KRWDZBQOSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1n[nH]cc1C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571223574 953145100 /nfs/dbraw/zinc/14/51/00/953145100.db2.gz VUARZXPGHQVMGC-KRWDZBQOSA-N -1 3 383.416 0.372 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571223565 953145168 /nfs/dbraw/zinc/14/51/68/953145168.db2.gz VPZHXFLVKYZBSH-LLVKDONJSA-N -1 3 383.416 0.303 20 0 GCADHM CCn1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571223565 953145172 /nfs/dbraw/zinc/14/51/72/953145172.db2.gz VPZHXFLVKYZBSH-LLVKDONJSA-N -1 3 383.416 0.303 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571223595 953145861 /nfs/dbraw/zinc/14/58/61/953145861.db2.gz WTVZTFUWJKZNOC-GXSJLCMTSA-N -1 3 383.416 0.649 20 0 GCADHM Cc1nc[nH]c1C(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571223595 953145866 /nfs/dbraw/zinc/14/58/66/953145866.db2.gz WTVZTFUWJKZNOC-GXSJLCMTSA-N -1 3 383.416 0.649 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001571223820 953146688 /nfs/dbraw/zinc/14/66/88/953146688.db2.gz VXCHWDVKIWHRMA-DCAQKATOSA-N -1 3 383.416 0.109 20 0 GCADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001571223820 953146692 /nfs/dbraw/zinc/14/66/92/953146692.db2.gz VXCHWDVKIWHRMA-DCAQKATOSA-N -1 3 383.416 0.109 20 0 GCADHM CCc1n[nH]cc1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571223781 953146699 /nfs/dbraw/zinc/14/66/99/953146699.db2.gz VITVWBXVSSHRJA-LLVKDONJSA-N -1 3 383.416 0.467 20 0 GCADHM CCc1n[nH]cc1C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571223781 953146702 /nfs/dbraw/zinc/14/67/02/953146702.db2.gz VITVWBXVSSHRJA-LLVKDONJSA-N -1 3 383.416 0.467 20 0 GCADHM COCCn1cc(C(=O)N2CC[C@H](Nc3ncccc3-c3nnn[n-]3)C2)cn1 ZINC001571223836 953147309 /nfs/dbraw/zinc/14/73/09/953147309.db2.gz YAYKNKZNLOANDU-ZDUSSCGKSA-N -1 3 383.416 0.431 20 0 GCADHM COCCn1cc(C(=O)N2CC[C@H](Nc3ncccc3-c3nn[n-]n3)C2)cn1 ZINC001571223836 953147312 /nfs/dbraw/zinc/14/73/12/953147312.db2.gz YAYKNKZNLOANDU-ZDUSSCGKSA-N -1 3 383.416 0.431 20 0 GCADHM COCc1cc(NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)ncn1 ZINC001571223851 953147612 /nfs/dbraw/zinc/14/76/12/953147612.db2.gz YJENNBZZAJGFJI-GFCCVEGCSA-N -1 3 383.416 0.848 20 0 GCADHM COCc1cc(NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)ncn1 ZINC001571223851 953147614 /nfs/dbraw/zinc/14/76/14/953147614.db2.gz YJENNBZZAJGFJI-GFCCVEGCSA-N -1 3 383.416 0.848 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H]1C ZINC001571223855 953147811 /nfs/dbraw/zinc/14/78/11/953147811.db2.gz YMZUIOUESDNNOS-PWSUYJOCSA-N -1 3 383.416 0.786 20 0 GCADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H]1C ZINC001571223855 953147814 /nfs/dbraw/zinc/14/78/14/953147814.db2.gz YMZUIOUESDNNOS-PWSUYJOCSA-N -1 3 383.416 0.786 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571223958 953147898 /nfs/dbraw/zinc/14/78/98/953147898.db2.gz WFFQFPCVOOXHJN-MNOVXSKESA-N -1 3 383.416 0.351 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)c2ccn(C)n2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571223958 953147900 /nfs/dbraw/zinc/14/79/00/953147900.db2.gz WFFQFPCVOOXHJN-MNOVXSKESA-N -1 3 383.416 0.351 20 0 GCADHM C[C@]12CN(Cc3cnon3)C[C@@]1(C)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571223870 953147962 /nfs/dbraw/zinc/14/79/62/953147962.db2.gz YTODVHHNMGGBAD-CALCHBBNSA-N -1 3 383.416 0.562 20 0 GCADHM C[C@]12CN(Cc3cnon3)C[C@@]1(C)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571223870 953147964 /nfs/dbraw/zinc/14/79/64/953147964.db2.gz YTODVHHNMGGBAD-CALCHBBNSA-N -1 3 383.416 0.562 20 0 GCADHM CCCc1n[nH]cc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571224018 953148251 /nfs/dbraw/zinc/14/82/51/953148251.db2.gz XBWNAIFJZZYPRH-NSHDSACASA-N -1 3 383.416 0.515 20 0 GCADHM CCCc1n[nH]cc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571224018 953148254 /nfs/dbraw/zinc/14/82/54/953148254.db2.gz XBWNAIFJZZYPRH-NSHDSACASA-N -1 3 383.416 0.515 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1c[nH]c(C)n1 ZINC001571223968 953148334 /nfs/dbraw/zinc/14/83/34/953148334.db2.gz WGRAPCLDXARXNN-IINYFYTJSA-N -1 3 383.416 0.649 20 0 GCADHM CCCc1noc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571223994 953148501 /nfs/dbraw/zinc/14/85/01/953148501.db2.gz WVSAUCCTEOLOAE-RYUDHWBXSA-N -1 3 383.416 0.629 20 0 GCADHM CCCc1noc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571223994 953148505 /nfs/dbraw/zinc/14/85/05/953148505.db2.gz WVSAUCCTEOLOAE-RYUDHWBXSA-N -1 3 383.416 0.629 20 0 GCADHM CC[C@@H](O)Cn1cc(C(=O)N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC001571223998 953148756 /nfs/dbraw/zinc/14/87/56/953148756.db2.gz WWFYUODBMXSNRU-CQSZACIVSA-N -1 3 383.416 0.166 20 0 GCADHM CC[C@@H](O)Cn1cc(C(=O)N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC001571223998 953148759 /nfs/dbraw/zinc/14/87/59/953148759.db2.gz WWFYUODBMXSNRU-CQSZACIVSA-N -1 3 383.416 0.166 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001571224090 953148779 /nfs/dbraw/zinc/14/87/79/953148779.db2.gz XWTOAALOQREZMD-TZMCWYRMSA-N -1 3 383.416 0.359 20 0 GCADHM C[C@H](C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001571224090 953148783 /nfs/dbraw/zinc/14/87/83/953148783.db2.gz XWTOAALOQREZMD-TZMCWYRMSA-N -1 3 383.416 0.359 20 0 GCADHM Cc1cc(NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc(CO)n1 ZINC001571224580 953149092 /nfs/dbraw/zinc/14/90/92/953149092.db2.gz ACDGTCQHPGNVDD-GFCCVEGCSA-N -1 3 383.416 0.502 20 0 GCADHM Cc1cc(NC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc(CO)n1 ZINC001571224580 953149096 /nfs/dbraw/zinc/14/90/96/953149096.db2.gz ACDGTCQHPGNVDD-GFCCVEGCSA-N -1 3 383.416 0.502 20 0 GCADHM CCOc1cc(C(=O)N2CCCN(c3ncccc3-c3nnn[n-]3)CC2)[nH]n1 ZINC001571224138 953149318 /nfs/dbraw/zinc/14/93/18/953149318.db2.gz YYPSSKSHHNRHQW-UHFFFAOYSA-N -1 3 383.416 0.736 20 0 GCADHM CCOc1cc(C(=O)N2CCCN(c3ncccc3-c3nn[n-]n3)CC2)[nH]n1 ZINC001571224138 953149321 /nfs/dbraw/zinc/14/93/21/953149321.db2.gz YYPSSKSHHNRHQW-UHFFFAOYSA-N -1 3 383.416 0.736 20 0 GCADHM Cc1c[nH]c(C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571224585 953149428 /nfs/dbraw/zinc/14/94/28/953149428.db2.gz AEEZENDZRYAJTD-LBPRGKRZSA-N -1 3 383.416 0.651 20 0 GCADHM Cc1c[nH]c(C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571224585 953149430 /nfs/dbraw/zinc/14/94/30/953149430.db2.gz AEEZENDZRYAJTD-LBPRGKRZSA-N -1 3 383.416 0.651 20 0 GCADHM Cc1ncn(C)c1C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571224707 953150574 /nfs/dbraw/zinc/15/05/74/953150574.db2.gz DKDBMUWIPNQLTM-UHFFFAOYSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1ncn(C)c1C(=O)NCC1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571224707 953150575 /nfs/dbraw/zinc/15/05/75/953150575.db2.gz DKDBMUWIPNQLTM-UHFFFAOYSA-N -1 3 383.416 0.175 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nc3)C2)c[nH]1 ZINC001571224889 953151338 /nfs/dbraw/zinc/15/13/38/953151338.db2.gz FYKONFWKLWPPLR-BMIGLBTASA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(C(=O)N2CCO[C@H]([C@@H](C)Nc3ccc(-c4nn[n-]n4)nc3)C2)c[nH]1 ZINC001571224889 953151340 /nfs/dbraw/zinc/15/13/40/953151340.db2.gz FYKONFWKLWPPLR-BMIGLBTASA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nnn[n-]4)nc3)C2)o1 ZINC001571224762 953151353 /nfs/dbraw/zinc/15/13/53/953151353.db2.gz FNYSGGYAQOMHOS-ZYHUDNBSSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1nnc(CC(=O)N[C@@H]2CC[C@@H](C)N(c3ccc(-c4nn[n-]n4)nc3)C2)o1 ZINC001571224762 953151355 /nfs/dbraw/zinc/15/13/55/953151355.db2.gz FNYSGGYAQOMHOS-ZYHUDNBSSA-N -1 3 383.416 0.669 20 0 GCADHM Cc1cn(C)nc1C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571224913 953151358 /nfs/dbraw/zinc/15/13/58/953151358.db2.gz GLEFMUTVAPMKKE-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1cn(C)nc1C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571224913 953151360 /nfs/dbraw/zinc/15/13/60/953151360.db2.gz GLEFMUTVAPMKKE-UHFFFAOYSA-N -1 3 383.416 0.270 20 0 GCADHM Cc1nc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[n-]n4)cn3)C2)c[nH]1 ZINC001571224770 953151397 /nfs/dbraw/zinc/15/13/97/953151397.db2.gz FSQFZYCBRBUBDO-KRWDZBQOSA-N -1 3 383.416 0.372 20 0 GCADHM Cc1nnc(CN2C[C@@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@]3(C)C2)o1 ZINC001571225207 953152245 /nfs/dbraw/zinc/15/22/45/953152245.db2.gz IPQZVEKZROCXMA-DIFFPNOSSA-N -1 3 383.416 0.480 20 0 GCADHM Cc1nnc(CN2C[C@@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@]3(C)C2)o1 ZINC001571225207 953152246 /nfs/dbraw/zinc/15/22/46/953152246.db2.gz IPQZVEKZROCXMA-DIFFPNOSSA-N -1 3 383.416 0.480 20 0 GCADHM Cc1nccc(N[C@@H](C)[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)n1 ZINC001571225623 953153340 /nfs/dbraw/zinc/15/33/40/953153340.db2.gz LTOJKPBQUUYZAW-HZMBPMFUSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nccc(N[C@@H](C)[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)n1 ZINC001571225623 953153343 /nfs/dbraw/zinc/15/33/43/953153343.db2.gz LTOJKPBQUUYZAW-HZMBPMFUSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1noc(CCC(=O)N2CC[C@@H](Nc3nc(C)ccc3-c3nnn[n-]3)C2)n1 ZINC001571225627 953153687 /nfs/dbraw/zinc/15/36/87/953153687.db2.gz LVOZTPBTMGPARW-GFCCVEGCSA-N -1 3 383.416 0.907 20 0 GCADHM Cc1noc(CCC(=O)N2CC[C@@H](Nc3nc(C)ccc3-c3nn[n-]n3)C2)n1 ZINC001571225627 953153689 /nfs/dbraw/zinc/15/36/89/953153689.db2.gz LVOZTPBTMGPARW-GFCCVEGCSA-N -1 3 383.416 0.907 20 0 GCADHM Cc1cc(NC[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc(CO)n1 ZINC001571225922 953154436 /nfs/dbraw/zinc/15/44/36/953154436.db2.gz OKNCIHZBFJSXIF-NSHDSACASA-N -1 3 383.416 0.360 20 0 GCADHM Cc1cc(NC[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc(CO)n1 ZINC001571225922 953154441 /nfs/dbraw/zinc/15/44/41/953154441.db2.gz OKNCIHZBFJSXIF-NSHDSACASA-N -1 3 383.416 0.360 20 0 GCADHM Cc1cnc(C)nc1N1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571225951 953155459 /nfs/dbraw/zinc/15/54/59/953155459.db2.gz PBDHAXUPEHQUPP-ZDUSSCGKSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1cnc(C)nc1N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571225951 953155461 /nfs/dbraw/zinc/15/54/61/953155461.db2.gz PBDHAXUPEHQUPP-ZDUSSCGKSA-N -1 3 383.416 0.237 20 0 GCADHM Cc1nnc(CC(=O)N2CCCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)o1 ZINC001571226398 953155471 /nfs/dbraw/zinc/15/54/71/953155471.db2.gz PUVPVQWPQUQTBF-GFCCVEGCSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1nnc(CC(=O)N2CCCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)o1 ZINC001571226398 953155474 /nfs/dbraw/zinc/15/54/74/953155474.db2.gz PUVPVQWPQUQTBF-GFCCVEGCSA-N -1 3 383.416 0.989 20 0 GCADHM Cc1ncc(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1C ZINC001571226488 953156051 /nfs/dbraw/zinc/15/60/51/953156051.db2.gz SCHCRSCGDTXYLE-VIFPVBQESA-N -1 3 383.416 0.127 20 0 GCADHM Cc1ncc(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1C ZINC001571226488 953156052 /nfs/dbraw/zinc/15/60/52/953156052.db2.gz SCHCRSCGDTXYLE-VIFPVBQESA-N -1 3 383.416 0.127 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](N(C)c3nc(C)ccc3-c3nnn[n-]3)C2)o1 ZINC001571226672 953157160 /nfs/dbraw/zinc/15/71/60/953157160.db2.gz VPZAVXOMSOFRIU-LBPRGKRZSA-N -1 3 383.416 0.541 20 0 GCADHM Cc1nnc(CC(=O)N2CC[C@H](N(C)c3nc(C)ccc3-c3nn[n-]n3)C2)o1 ZINC001571226672 953157162 /nfs/dbraw/zinc/15/71/62/953157162.db2.gz VPZAVXOMSOFRIU-LBPRGKRZSA-N -1 3 383.416 0.541 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)c3ccnn3C)CCO2)ccc1-c1nnn[n-]1 ZINC001571226939 953157744 /nfs/dbraw/zinc/15/77/44/953157744.db2.gz XIRDBXURGZJKNT-GFCCVEGCSA-N -1 3 383.416 0.257 20 0 GCADHM Cc1nc(NC[C@@H]2CN(C(=O)c3ccnn3C)CCO2)ccc1-c1nn[n-]n1 ZINC001571226939 953157745 /nfs/dbraw/zinc/15/77/45/953157745.db2.gz XIRDBXURGZJKNT-GFCCVEGCSA-N -1 3 383.416 0.257 20 0 GCADHM Cc1nc(N[C@H](C)[C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)ccc1-c1nnn[n-]1 ZINC001571226935 953157750 /nfs/dbraw/zinc/15/77/50/953157750.db2.gz XFGBTSBSOKPFMC-RISCZKNCSA-N -1 3 383.416 0.635 20 0 GCADHM Cc1nc(N[C@H](C)[C@@H]2CN(C(=O)c3cn[nH]c3)CCO2)ccc1-c1nn[n-]n1 ZINC001571226935 953157754 /nfs/dbraw/zinc/15/77/54/953157754.db2.gz XFGBTSBSOKPFMC-RISCZKNCSA-N -1 3 383.416 0.635 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571227690 953158144 /nfs/dbraw/zinc/15/81/44/953158144.db2.gz ABCZKVJRENLGBZ-QGZVFWFLSA-N -1 3 383.416 0.074 20 0 GCADHM Cn1cc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571227690 953158146 /nfs/dbraw/zinc/15/81/46/953158146.db2.gz ABCZKVJRENLGBZ-QGZVFWFLSA-N -1 3 383.416 0.074 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c1 ZINC001571227688 953158391 /nfs/dbraw/zinc/15/83/91/953158391.db2.gz AALIRAPLYQJOMQ-WDEREUQCSA-N -1 3 383.416 0.399 20 0 GCADHM Cn1cnc(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571227688 953158393 /nfs/dbraw/zinc/15/83/93/953158393.db2.gz AALIRAPLYQJOMQ-WDEREUQCSA-N -1 3 383.416 0.399 20 0 GCADHM CC[C@H]1CN(C(=O)Cc2nnc[nH]2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571227800 953159951 /nfs/dbraw/zinc/15/99/51/953159951.db2.gz CHYSUMRGWZWDTJ-WDEREUQCSA-N -1 3 383.420 0.057 20 0 GCADHM O=C(NC1CN(Cc2nc(C3CCCC3)no2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571228079 953161759 /nfs/dbraw/zinc/16/17/59/953161759.db2.gz HNURLZSMRFLSHK-UHFFFAOYSA-N -1 3 383.416 0.850 20 0 GCADHM O=C(NC1CN(Cc2nc(C3CCCC3)no2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571228079 953161761 /nfs/dbraw/zinc/16/17/61/953161761.db2.gz HNURLZSMRFLSHK-UHFFFAOYSA-N -1 3 383.416 0.850 20 0 GCADHM Cn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[nH]c1=O ZINC001571228036 953161858 /nfs/dbraw/zinc/16/18/58/953161858.db2.gz GSSLJXYYRKIMGY-LBPRGKRZSA-N -1 3 383.416 0.490 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571228134 953162403 /nfs/dbraw/zinc/16/24/03/953162403.db2.gz IXYBWWRKLNDDSL-ONGXEEELSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@@H](c1nnnn1C1CC1)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571228134 953162406 /nfs/dbraw/zinc/16/24/06/953162406.db2.gz IXYBWWRKLNDDSL-ONGXEEELSA-N -1 3 383.420 0.082 20 0 GCADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001571228147 953162472 /nfs/dbraw/zinc/16/24/72/953162472.db2.gz JFOIKPSEHQBWFK-WDEREUQCSA-N -1 3 383.420 0.138 20 0 GCADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001571228147 953162473 /nfs/dbraw/zinc/16/24/73/953162473.db2.gz JFOIKPSEHQBWFK-WDEREUQCSA-N -1 3 383.420 0.138 20 0 GCADHM O=C(Cn1ccnc1)N[C@@H]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571228499 953164283 /nfs/dbraw/zinc/16/42/83/953164283.db2.gz PUHACPABSHUORD-OLZOCXBDSA-N -1 3 383.416 0.249 20 0 GCADHM Cn1cncc1C(=O)N[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1(C)C ZINC001571228591 953165346 /nfs/dbraw/zinc/16/53/46/953165346.db2.gz SUOWWMJSAVWAHH-ZDUSSCGKSA-N -1 3 383.416 0.209 20 0 GCADHM Cn1cncc1C(=O)N[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001571228591 953165347 /nfs/dbraw/zinc/16/53/47/953165347.db2.gz SUOWWMJSAVWAHH-ZDUSSCGKSA-N -1 3 383.416 0.209 20 0 GCADHM CCc1nnc(NCc2nnc3n2CCN(C)C3=O)c(-c2nnn[n-]2)c1CC ZINC001571228625 953166062 /nfs/dbraw/zinc/16/60/62/953166062.db2.gz UIMOFAYXRIMQSM-UHFFFAOYSA-N -1 3 383.420 0.071 20 0 GCADHM CCc1nnc(NCc2nnc3n2CCN(C)C3=O)c(-c2nn[n-]n2)c1CC ZINC001571228625 953166063 /nfs/dbraw/zinc/16/60/63/953166063.db2.gz UIMOFAYXRIMQSM-UHFFFAOYSA-N -1 3 383.420 0.071 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001571228791 953166492 /nfs/dbraw/zinc/16/64/92/953166492.db2.gz VOEQDHJLYQUCLC-YPMHNXCESA-N -1 3 383.420 0.130 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001571228791 953166493 /nfs/dbraw/zinc/16/64/93/953166493.db2.gz VOEQDHJLYQUCLC-YPMHNXCESA-N -1 3 383.420 0.130 20 0 GCADHM Cn1c(C(=O)N[C@H]2CCC[C@H]2CNc2ncccc2-c2nnn[n-]2)c[nH]c1=O ZINC001571229004 953167553 /nfs/dbraw/zinc/16/75/53/953167553.db2.gz YDDYFXLZSPKRRF-JQWIXIFHSA-N -1 3 383.416 0.711 20 0 GCADHM Cn1c(C(=O)N[C@H]2CCC[C@H]2CNc2ncccc2-c2nn[n-]n2)c[nH]c1=O ZINC001571229004 953167555 /nfs/dbraw/zinc/16/75/55/953167555.db2.gz YDDYFXLZSPKRRF-JQWIXIFHSA-N -1 3 383.416 0.711 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCCC[C@H]2NC(=O)Cn2cnnn2)n1 ZINC001571229182 953168730 /nfs/dbraw/zinc/16/87/30/953168730.db2.gz AJQGUNZINIJQHN-CHWSQXEVSA-N -1 3 383.420 0.096 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCCC[C@H]2NC(=O)Cn2cnnn2)n1 ZINC001571229182 953168731 /nfs/dbraw/zinc/16/87/31/953168731.db2.gz AJQGUNZINIJQHN-CHWSQXEVSA-N -1 3 383.420 0.096 20 0 GCADHM Cc1nnc(CC(=O)N[C@H]2CCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001571230027 953173738 /nfs/dbraw/zinc/17/37/38/953173738.db2.gz RACQWWMSLNFHCV-QWRGUYRKSA-N -1 3 383.420 0.023 20 0 GCADHM CCOC1CC(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)c(C)n4)C[C@H]32)C1 ZINC001571230517 953177366 /nfs/dbraw/zinc/17/73/66/953177366.db2.gz FREYFXSAPYZQIF-KZZUOICLSA-N -1 3 383.456 0.936 20 0 GCADHM CCOC1CC(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)c(C)n4)C[C@H]32)C1 ZINC001571230517 953177370 /nfs/dbraw/zinc/17/73/70/953177370.db2.gz FREYFXSAPYZQIF-KZZUOICLSA-N -1 3 383.456 0.936 20 0 GCADHM COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001571230536 953177940 /nfs/dbraw/zinc/17/79/40/953177940.db2.gz XLAAEOLAHFFWPO-NSHDSACASA-N -1 3 383.430 0.741 20 0 GCADHM COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001571230536 953177946 /nfs/dbraw/zinc/17/79/46/953177946.db2.gz XLAAEOLAHFFWPO-NSHDSACASA-N -1 3 383.430 0.741 20 0 GCADHM O=C(c1cnns1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571230684 953178705 /nfs/dbraw/zinc/17/87/05/953178705.db2.gz IKRRSDATPRAXMM-TXEJJXNPSA-N -1 3 383.441 0.997 20 0 GCADHM O=C(c1cnns1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571230684 953178707 /nfs/dbraw/zinc/17/87/07/953178707.db2.gz IKRRSDATPRAXMM-TXEJJXNPSA-N -1 3 383.441 0.997 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]21 ZINC001571230657 953179042 /nfs/dbraw/zinc/17/90/42/953179042.db2.gz HTBZWDLZOKTBIS-KDEOKCCVSA-N -1 3 383.456 0.936 20 0 GCADHM CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]21 ZINC001571230657 953179045 /nfs/dbraw/zinc/17/90/45/953179045.db2.gz HTBZWDLZOKTBIS-KDEOKCCVSA-N -1 3 383.456 0.936 20 0 GCADHM O=C(N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1csc(-c2nnn[n-]2)c1 ZINC001571230944 953181928 /nfs/dbraw/zinc/18/19/28/953181928.db2.gz NVDMMNMODSXUGW-HZMBPMFUSA-N -1 3 383.455 0.394 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1)c1ccc(-c2nnn[n-]2)nc1 ZINC001571231490 953184707 /nfs/dbraw/zinc/18/47/07/953184707.db2.gz YDSXGMSVXMJRSA-TYILLQQXSA-N -1 3 383.456 0.973 20 0 GCADHM CN(C[C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1)c1ccc(-c2nn[n-]n2)nc1 ZINC001571231490 953184708 /nfs/dbraw/zinc/18/47/08/953184708.db2.gz YDSXGMSVXMJRSA-TYILLQQXSA-N -1 3 383.456 0.973 20 0 GCADHM C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571232525 953187822 /nfs/dbraw/zinc/18/78/22/953187822.db2.gz HLGWMTZIMWJIHP-CRWXNKLISA-N -1 3 383.460 0.224 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)[C@]34C[C@H]3CCCC4)[C@@H](O)C2)n1 ZINC001571232717 953188333 /nfs/dbraw/zinc/18/83/33/953188333.db2.gz JVUFMJHZODCQTA-NFWAQSGPSA-N -1 3 383.456 0.816 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)[C@]34C[C@H]3CCCC4)[C@@H](O)C2)n1 ZINC001571232717 953188335 /nfs/dbraw/zinc/18/83/35/953188335.db2.gz JVUFMJHZODCQTA-NFWAQSGPSA-N -1 3 383.456 0.816 20 0 GCADHM Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)ccc1-c1nnn[n-]1 ZINC001571233061 953189944 /nfs/dbraw/zinc/18/99/44/953189944.db2.gz NTBGPVARCNOXRK-YCCFLXJFSA-N -1 3 383.456 0.672 20 0 GCADHM Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3[C@@H]4CCCC[C@@H]43)C2)ccc1-c1nn[n-]n1 ZINC001571233061 953189946 /nfs/dbraw/zinc/18/99/46/953189946.db2.gz NTBGPVARCNOXRK-YCCFLXJFSA-N -1 3 383.456 0.672 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3CCN(C(=O)CC4(O)CCC4)[C@@H]3C2)n1 ZINC001571233416 953192305 /nfs/dbraw/zinc/19/23/05/953192305.db2.gz UWEGHFMVYDJEAB-DZGCQCFKSA-N -1 3 383.456 0.912 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3CCN(C(=O)CC4(O)CCC4)[C@@H]3C2)n1 ZINC001571233416 953192309 /nfs/dbraw/zinc/19/23/09/953192309.db2.gz UWEGHFMVYDJEAB-DZGCQCFKSA-N -1 3 383.456 0.912 20 0 GCADHM O=C(C1CCC1)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571233861 953197105 /nfs/dbraw/zinc/19/71/05/953197105.db2.gz GHUMHHOFHFHQFI-CQSZACIVSA-N -1 3 383.460 0.180 20 0 GCADHM O=C(CN1CCCC1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nnn[n-]3)nn1)CC2 ZINC001571234199 953199819 /nfs/dbraw/zinc/19/98/19/953199819.db2.gz PKOSVPXRIMHTRV-KSSFIOAISA-N -1 3 383.460 0.370 20 0 GCADHM CN1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nnn[n-]1)CC2 ZINC001571234317 953200433 /nfs/dbraw/zinc/20/04/33/953200433.db2.gz UFZYBYZWSCSFJR-OLZOCXBDSA-N -1 3 383.460 0.226 20 0 GCADHM Cc1cncc(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)c1 ZINC001571235346 953211581 /nfs/dbraw/zinc/21/15/81/953211581.db2.gz ASIFTEMRTPIJQL-ZIAGYGMSSA-N -1 3 384.375 0.084 20 0 GCADHM Cc1cncc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)c1 ZINC001571235346 953211582 /nfs/dbraw/zinc/21/15/82/953211582.db2.gz ASIFTEMRTPIJQL-ZIAGYGMSSA-N -1 3 384.375 0.084 20 0 GCADHM C[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571235403 953211947 /nfs/dbraw/zinc/21/19/47/953211947.db2.gz CQENCOIXPKWLDL-YMTOWFKASA-N -1 3 384.375 0.619 20 0 GCADHM C[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571235403 953211952 /nfs/dbraw/zinc/21/19/52/953211952.db2.gz CQENCOIXPKWLDL-YMTOWFKASA-N -1 3 384.375 0.619 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1NC(=O)c1ncoc1C ZINC001571235457 953212601 /nfs/dbraw/zinc/21/26/01/953212601.db2.gz FRLIDDCPUMBWRO-CHWSQXEVSA-N -1 3 384.400 0.500 20 0 GCADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1NC(=O)c1ncoc1C ZINC001571235457 953212604 /nfs/dbraw/zinc/21/26/04/953212604.db2.gz FRLIDDCPUMBWRO-CHWSQXEVSA-N -1 3 384.400 0.500 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)Cc2cnoc2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571235490 953212955 /nfs/dbraw/zinc/21/29/55/953212955.db2.gz GNFGNCUJOWFOKL-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM C[C@@H]1CC[C@H](NC(=O)Cc2cnoc2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571235490 953212958 /nfs/dbraw/zinc/21/29/58/953212958.db2.gz GNFGNCUJOWFOKL-MFKMUULPSA-N -1 3 384.400 0.535 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571235575 953213677 /nfs/dbraw/zinc/21/36/77/953213677.db2.gz JESFFZYXEUZTNQ-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571235575 953213681 /nfs/dbraw/zinc/21/36/81/953213681.db2.gz JESFFZYXEUZTNQ-SNVBAGLBSA-N -1 3 384.400 0.951 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ncc(-c5nnn[n-]5)cc4F)C[C@H]32)on1 ZINC001571235632 953214208 /nfs/dbraw/zinc/21/42/08/953214208.db2.gz LOBHCSASALFNPB-CNDDSTCGSA-N -1 3 384.375 0.809 20 0 GCADHM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(c4ncc(-c5nn[n-]n5)cc4F)C[C@H]32)on1 ZINC001571235632 953214212 /nfs/dbraw/zinc/21/42/12/953214212.db2.gz LOBHCSASALFNPB-CNDDSTCGSA-N -1 3 384.375 0.809 20 0 GCADHM CCc1nc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)co1 ZINC001571235618 953214277 /nfs/dbraw/zinc/21/42/77/953214277.db2.gz KZJQECNALNDJQN-GFCCVEGCSA-N -1 3 384.400 0.447 20 0 GCADHM CCc1nc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)co1 ZINC001571235618 953214279 /nfs/dbraw/zinc/21/42/79/953214279.db2.gz KZJQECNALNDJQN-GFCCVEGCSA-N -1 3 384.400 0.447 20 0 GCADHM CCc1nocc1C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571235605 953214345 /nfs/dbraw/zinc/21/43/45/953214345.db2.gz KQFQHOYWELKASG-LLVKDONJSA-N -1 3 384.400 0.780 20 0 GCADHM CCc1nocc1C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571235605 953214346 /nfs/dbraw/zinc/21/43/46/953214346.db2.gz KQFQHOYWELKASG-LLVKDONJSA-N -1 3 384.400 0.780 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571235675 953214396 /nfs/dbraw/zinc/21/43/96/953214396.db2.gz NAOSLQOADPCTSS-NSHDSACASA-N -1 3 384.400 0.732 20 0 GCADHM CCc1ocnc1C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571235675 953214398 /nfs/dbraw/zinc/21/43/98/953214398.db2.gz NAOSLQOADPCTSS-NSHDSACASA-N -1 3 384.400 0.732 20 0 GCADHM CCc1ocnc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571235661 953214411 /nfs/dbraw/zinc/21/44/11/953214411.db2.gz MJNNGYDHZKXGCF-KOLCDFICSA-N -1 3 384.400 0.778 20 0 GCADHM CCc1ocnc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571235661 953214413 /nfs/dbraw/zinc/21/44/13/953214413.db2.gz MJNNGYDHZKXGCF-KOLCDFICSA-N -1 3 384.400 0.778 20 0 GCADHM CCCc1nc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)co1 ZINC001571235635 953214430 /nfs/dbraw/zinc/21/44/30/953214430.db2.gz LPENHJOFAVOHLO-DGCLKSJQSA-N -1 3 384.400 0.182 20 0 GCADHM CCCc1nc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)co1 ZINC001571235635 953214433 /nfs/dbraw/zinc/21/44/33/953214433.db2.gz LPENHJOFAVOHLO-DGCLKSJQSA-N -1 3 384.400 0.182 20 0 GCADHM CCc1nocc1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571235685 953214959 /nfs/dbraw/zinc/21/49/59/953214959.db2.gz NGROWRLEMXDIHD-JTQLQIEISA-N -1 3 384.400 0.732 20 0 GCADHM CCc1nocc1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571235685 953214964 /nfs/dbraw/zinc/21/49/64/953214964.db2.gz NGROWRLEMXDIHD-JTQLQIEISA-N -1 3 384.400 0.732 20 0 GCADHM C[C@]12CN(C(=O)c3ccon3)C[C@H]1CN(c1ncc(-c3nnn[n-]3)cc1F)C2 ZINC001571235704 953215205 /nfs/dbraw/zinc/21/52/05/953215205.db2.gz NZNMKWFASCBSOW-DIFFPNOSSA-N -1 3 384.375 0.987 20 0 GCADHM C[C@]12CN(C(=O)c3ccon3)C[C@H]1CN(c1ncc(-c3nn[n-]n3)cc1F)C2 ZINC001571235704 953215207 /nfs/dbraw/zinc/21/52/07/953215207.db2.gz NZNMKWFASCBSOW-DIFFPNOSSA-N -1 3 384.375 0.987 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1ccncc1F ZINC001571235899 953215718 /nfs/dbraw/zinc/21/57/18/953215718.db2.gz QWPKKCQZJMXEFH-KBPBESRZSA-N -1 3 384.375 0.165 20 0 GCADHM O=C(N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1ccncc1F ZINC001571235899 953215721 /nfs/dbraw/zinc/21/57/21/953215721.db2.gz QWPKKCQZJMXEFH-KBPBESRZSA-N -1 3 384.375 0.165 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC001571235894 953215751 /nfs/dbraw/zinc/21/57/51/953215751.db2.gz QUVWCCRFCXLTEG-QWRGUYRKSA-N -1 3 384.400 0.854 20 0 GCADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCN(C(=O)c2cocn2)C1 ZINC001571235894 953215753 /nfs/dbraw/zinc/21/57/53/953215753.db2.gz QUVWCCRFCXLTEG-QWRGUYRKSA-N -1 3 384.400 0.854 20 0 GCADHM CCCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571235904 953216134 /nfs/dbraw/zinc/21/61/34/953216134.db2.gz QXGYXADEMOJPCZ-SNVBAGLBSA-N -1 3 384.400 0.780 20 0 GCADHM CCCc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571235904 953216136 /nfs/dbraw/zinc/21/61/36/953216136.db2.gz QXGYXADEMOJPCZ-SNVBAGLBSA-N -1 3 384.400 0.780 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001571236182 953216830 /nfs/dbraw/zinc/21/68/30/953216830.db2.gz UJSHMMCBVYINOD-JTQLQIEISA-N -1 3 384.375 0.806 20 0 GCADHM O=C(c1c[nH]c(=O)cn1)N1CCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001571236182 953216831 /nfs/dbraw/zinc/21/68/31/953216831.db2.gz UJSHMMCBVYINOD-JTQLQIEISA-N -1 3 384.375 0.806 20 0 GCADHM Cc1n[nH]nc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncc(-c2nn[n-]n2)cc1F ZINC001571236344 953217204 /nfs/dbraw/zinc/21/72/04/953217204.db2.gz WYBODXKOMKIHGZ-PHIMTYICSA-N -1 3 384.379 0.321 20 0 GCADHM COCc1cc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571236404 953218286 /nfs/dbraw/zinc/21/82/86/953218286.db2.gz YWVWCBYWCDSFGA-LBPRGKRZSA-N -1 3 384.400 0.747 20 0 GCADHM COCc1cc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571236404 953218288 /nfs/dbraw/zinc/21/82/88/953218288.db2.gz YWVWCBYWCDSFGA-LBPRGKRZSA-N -1 3 384.400 0.747 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2noc3c2COCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571236868 953218905 /nfs/dbraw/zinc/21/89/05/953218905.db2.gz CMCKWEFTPSJGSM-LLVKDONJSA-N -1 3 384.400 0.260 20 0 GCADHM O=C(N[C@@H]1CCN(Cc2noc3c2COCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571236868 953218907 /nfs/dbraw/zinc/21/89/07/953218907.db2.gz CMCKWEFTPSJGSM-LLVKDONJSA-N -1 3 384.400 0.260 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC[C@@H]2C)no1 ZINC001571236725 953219107 /nfs/dbraw/zinc/21/91/07/953219107.db2.gz CFLNQCISHUYRIY-CABZTGNLSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC[C@@H]2C)no1 ZINC001571236725 953219108 /nfs/dbraw/zinc/21/91/08/953219108.db2.gz CFLNQCISHUYRIY-CABZTGNLSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2(C)C)on1 ZINC001571236942 953219118 /nfs/dbraw/zinc/21/91/18/953219118.db2.gz DBAVBOLDJBHSFL-CYBMUJFWSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2(C)C)on1 ZINC001571236942 953219121 /nfs/dbraw/zinc/21/91/21/953219121.db2.gz DBAVBOLDJBHSFL-CYBMUJFWSA-N -1 3 384.400 0.772 20 0 GCADHM Cc1cnoc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571237016 953219977 /nfs/dbraw/zinc/21/99/77/953219977.db2.gz FIIYENORPZVWES-BXUZGUMPSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1cnoc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571237016 953219979 /nfs/dbraw/zinc/21/99/79/953219979.db2.gz FIIYENORPZVWES-BXUZGUMPSA-N -1 3 384.400 0.900 20 0 GCADHM O=C(Cc1ccon1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571237150 953220227 /nfs/dbraw/zinc/22/02/27/953220227.db2.gz FVZBDNMHUGZXQP-CQSZACIVSA-N -1 3 384.400 0.522 20 0 GCADHM O=C(Cc1ccon1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571237150 953220230 /nfs/dbraw/zinc/22/02/30/953220230.db2.gz FVZBDNMHUGZXQP-CQSZACIVSA-N -1 3 384.400 0.522 20 0 GCADHM Cc1conc1C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571237463 953221027 /nfs/dbraw/zinc/22/10/27/953221027.db2.gz IBPKXDBMQMHSDX-NSHDSACASA-N -1 3 384.400 0.773 20 0 GCADHM Cc1conc1C(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571237463 953221029 /nfs/dbraw/zinc/22/10/29/953221029.db2.gz IBPKXDBMQMHSDX-NSHDSACASA-N -1 3 384.400 0.773 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571237437 953221315 /nfs/dbraw/zinc/22/13/15/953221315.db2.gz HOEYCEZILSMNBM-NSHDSACASA-N -1 3 384.400 0.394 20 0 GCADHM O=C(Cc1ccon1)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571237437 953221318 /nfs/dbraw/zinc/22/13/18/953221318.db2.gz HOEYCEZILSMNBM-NSHDSACASA-N -1 3 384.400 0.394 20 0 GCADHM COc1cc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)on1 ZINC001571237456 953221413 /nfs/dbraw/zinc/22/14/13/953221413.db2.gz HTQGIADQTWYMFL-UHFFFAOYSA-N -1 3 384.400 0.966 20 0 GCADHM COc1cc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)on1 ZINC001571237456 953221414 /nfs/dbraw/zinc/22/14/14/953221414.db2.gz HTQGIADQTWYMFL-UHFFFAOYSA-N -1 3 384.400 0.966 20 0 GCADHM O=C(Cc1cnoc1)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571237662 953222450 /nfs/dbraw/zinc/22/24/50/953222450.db2.gz LBCOONARWIEJQX-GXFFZTMASA-N -1 3 384.400 0.440 20 0 GCADHM O=C(Cc1cnoc1)N[C@@H]1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571237662 953222453 /nfs/dbraw/zinc/22/24/53/953222453.db2.gz LBCOONARWIEJQX-GXFFZTMASA-N -1 3 384.400 0.440 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)co1 ZINC001571237665 953222582 /nfs/dbraw/zinc/22/25/82/953222582.db2.gz LBXPSISDDPAKAC-NEPJUHHUSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1nc(C(=O)N[C@H]2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)co1 ZINC001571237665 953222584 /nfs/dbraw/zinc/22/25/84/953222584.db2.gz LBXPSISDDPAKAC-NEPJUHHUSA-N -1 3 384.400 0.962 20 0 GCADHM Cc1ocnc1C(=O)N1CCO[C@H]([C@H](C)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571237978 953223854 /nfs/dbraw/zinc/22/38/54/953223854.db2.gz PRMQXCBAWPMYCW-GWCFXTLKSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1ocnc1C(=O)N1CCO[C@H]([C@H](C)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571237978 953223855 /nfs/dbraw/zinc/22/38/55/953223855.db2.gz PRMQXCBAWPMYCW-GWCFXTLKSA-N -1 3 384.400 0.900 20 0 GCADHM Cc1nocc1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571237953 953223975 /nfs/dbraw/zinc/22/39/75/953223975.db2.gz OXACBCJJWRVVFL-GWCFXTLKSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nocc1C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571237953 953223976 /nfs/dbraw/zinc/22/39/76/953223976.db2.gz OXACBCJJWRVVFL-GWCFXTLKSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1noc(C)c1C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571237985 953224055 /nfs/dbraw/zinc/22/40/55/953224055.db2.gz PYMYUJMXQKXWIC-GFCCVEGCSA-N -1 3 384.400 0.786 20 0 GCADHM Cc1noc(C)c1C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571237985 953224059 /nfs/dbraw/zinc/22/40/59/953224059.db2.gz PYMYUJMXQKXWIC-GFCCVEGCSA-N -1 3 384.400 0.786 20 0 GCADHM Cc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571237983 953224113 /nfs/dbraw/zinc/22/41/13/953224113.db2.gz PTANNQUHNJGNSC-UHFFFAOYSA-N -1 3 384.400 0.327 20 0 GCADHM Cc1noc(C)c1CC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571237983 953224116 /nfs/dbraw/zinc/22/41/16/953224116.db2.gz PTANNQUHNJGNSC-UHFFFAOYSA-N -1 3 384.400 0.327 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001571237972 953224156 /nfs/dbraw/zinc/22/41/56/953224156.db2.gz PICRHCLBQWJEST-ZYHUDNBSSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1conc1C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001571237972 953224160 /nfs/dbraw/zinc/22/41/60/953224160.db2.gz PICRHCLBQWJEST-ZYHUDNBSSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1nc(C)c(C(=O)NCC2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001571237957 953224293 /nfs/dbraw/zinc/22/42/93/953224293.db2.gz OXMACJKSGUAUOV-UHFFFAOYSA-N -1 3 384.400 0.738 20 0 GCADHM Cc1nc(C)c(C(=O)NCC2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001571237957 953224296 /nfs/dbraw/zinc/22/42/96/953224296.db2.gz OXMACJKSGUAUOV-UHFFFAOYSA-N -1 3 384.400 0.738 20 0 GCADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCCN1C(=O)c1nc[nH]n1 ZINC001571238109 953225385 /nfs/dbraw/zinc/22/53/85/953225385.db2.gz UKKVTSNVYDYYFJ-BXKDBHETSA-N -1 3 384.404 0.126 20 0 GCADHM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571238162 953226570 /nfs/dbraw/zinc/22/65/70/953226570.db2.gz VQUGFGLQKRGXKZ-VHSXEESVSA-N -1 3 384.404 0.059 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001571238153 953226574 /nfs/dbraw/zinc/22/65/74/953226574.db2.gz VNSOHAHLLAAZQP-LLVKDONJSA-N -1 3 384.400 0.868 20 0 GCADHM Cc1cc(C(=O)N(C)C[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001571238153 953226578 /nfs/dbraw/zinc/22/65/78/953226578.db2.gz VNSOHAHLLAAZQP-LLVKDONJSA-N -1 3 384.400 0.868 20 0 GCADHM O=C(Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001571238245 953227326 /nfs/dbraw/zinc/22/73/26/953227326.db2.gz XZAOKJJVNGFNQC-YOWGUQMCSA-N -1 3 384.400 0.117 20 0 GCADHM O=C(Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1)N[C@H]1C[C@@H](O)[C@@H](O)C1 ZINC001571238245 953227330 /nfs/dbraw/zinc/22/73/30/953227330.db2.gz XZAOKJJVNGFNQC-YOWGUQMCSA-N -1 3 384.400 0.117 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1C ZINC001571238292 953227488 /nfs/dbraw/zinc/22/74/88/953227488.db2.gz YUVYGHREONGKKD-GHMZBOCLSA-N -1 3 384.400 0.914 20 0 GCADHM Cc1cnoc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C ZINC001571238292 953227490 /nfs/dbraw/zinc/22/74/90/953227490.db2.gz YUVYGHREONGKKD-GHMZBOCLSA-N -1 3 384.400 0.914 20 0 GCADHM O=C(NC1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571239086 953235237 /nfs/dbraw/zinc/23/52/37/953235237.db2.gz FZFDTWAGJKYYCG-VUBIOHBQSA-N -1 3 384.415 0.730 20 0 GCADHM O=C(NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571239086 953235243 /nfs/dbraw/zinc/23/52/43/953235243.db2.gz FZFDTWAGJKYYCG-VUBIOHBQSA-N -1 3 384.415 0.730 20 0 GCADHM Cc1c(C(=O)NCC2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)cnn1C ZINC001571239158 953236713 /nfs/dbraw/zinc/23/67/13/953236713.db2.gz GTJPDRONEDZIEL-UHFFFAOYSA-N -1 3 384.419 0.910 20 0 GCADHM Cc1c(C(=O)NCC2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)cnn1C ZINC001571239158 953236714 /nfs/dbraw/zinc/23/67/14/953236714.db2.gz GTJPDRONEDZIEL-UHFFFAOYSA-N -1 3 384.419 0.910 20 0 GCADHM CN(C)Cc1cc(C(=O)N2CC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)no1 ZINC001571239248 953236973 /nfs/dbraw/zinc/23/69/73/953236973.db2.gz RHGXURFTCYSSDM-JTQLQIEISA-N -1 3 384.404 0.033 20 0 GCADHM Cc1n[nH]nc1C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C ZINC001571239781 953242607 /nfs/dbraw/zinc/24/26/07/953242607.db2.gz XRWAITIAZKXXAY-PSASIEDQSA-N -1 3 384.404 0.044 20 0 GCADHM Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)[nH]c1=O ZINC001571239846 953243735 /nfs/dbraw/zinc/24/37/35/953243735.db2.gz ZNHCZNJHENDACF-NXEZZACHSA-N -1 3 384.404 0.106 20 0 GCADHM O=C(c1ccsn1)N1[C@@H]2CC[C@H]1CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001571241498 953247186 /nfs/dbraw/zinc/24/71/86/953247186.db2.gz BHDQDJCTHOCQHO-PHIMTYICSA-N -1 3 384.425 0.781 20 0 GCADHM O=C(c1ccsn1)N1[C@@H]2CC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571241498 953247189 /nfs/dbraw/zinc/24/71/89/953247189.db2.gz BHDQDJCTHOCQHO-PHIMTYICSA-N -1 3 384.425 0.781 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ncccc3-c3nnn[n-]3)[C@@H]2C)C1 ZINC001571241641 953248231 /nfs/dbraw/zinc/24/82/31/953248231.db2.gz HBVXSOVKWZJYKC-ABAIWWIYSA-N -1 3 384.444 0.214 20 0 GCADHM CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3ncccc3-c3nn[n-]n3)[C@@H]2C)C1 ZINC001571241641 953248233 /nfs/dbraw/zinc/24/82/33/953248233.db2.gz HBVXSOVKWZJYKC-ABAIWWIYSA-N -1 3 384.444 0.214 20 0 GCADHM NC(=O)c1cccc(S(=O)(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c1 ZINC001571241668 953248778 /nfs/dbraw/zinc/24/87/78/953248778.db2.gz HQFLBKOBNCFJOB-CQSZACIVSA-N -1 3 384.421 0.411 20 0 GCADHM NC(=O)c1cccc(S(=O)(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1 ZINC001571241668 953248782 /nfs/dbraw/zinc/24/87/82/953248782.db2.gz HQFLBKOBNCFJOB-CQSZACIVSA-N -1 3 384.421 0.411 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC001571241750 953249767 /nfs/dbraw/zinc/24/97/67/953249767.db2.gz KOTYUBFRNWVJGJ-AWEZNQCLSA-N -1 3 384.425 0.435 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC001571241750 953249770 /nfs/dbraw/zinc/24/97/70/953249770.db2.gz KOTYUBFRNWVJGJ-AWEZNQCLSA-N -1 3 384.425 0.435 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571242089 953252817 /nfs/dbraw/zinc/25/28/17/953252817.db2.gz AZELGHWKJBIIOC-UONOGXRCSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571242089 953252822 /nfs/dbraw/zinc/25/28/22/953252822.db2.gz AZELGHWKJBIIOC-UONOGXRCSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571242056 953252881 /nfs/dbraw/zinc/25/28/81/953252881.db2.gz AJMFNJUWHWKUHQ-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571242056 953252885 /nfs/dbraw/zinc/25/28/85/953252885.db2.gz AJMFNJUWHWKUHQ-FZMZJTMJSA-N -1 3 384.444 0.261 20 0 GCADHM CC1(C)CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571242081 953252948 /nfs/dbraw/zinc/25/29/48/953252948.db2.gz AVXLMQRTOLVGDQ-WCQYABFASA-N -1 3 384.444 0.437 20 0 GCADHM CC1(C)CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571242081 953252950 /nfs/dbraw/zinc/25/29/50/953252950.db2.gz AVXLMQRTOLVGDQ-WCQYABFASA-N -1 3 384.444 0.437 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCCCC2=O)CCN1c1ncccc1-c1nnn[n-]1 ZINC001571242104 953252960 /nfs/dbraw/zinc/25/29/60/953252960.db2.gz BHDIEDCEVUSRIZ-OCCSQVGLSA-N -1 3 384.444 0.358 20 0 GCADHM C[C@@H]1[C@@H](NC(=O)CN2CCCCC2=O)CCN1c1ncccc1-c1nn[n-]n1 ZINC001571242104 953252961 /nfs/dbraw/zinc/25/29/61/953252961.db2.gz BHDIEDCEVUSRIZ-OCCSQVGLSA-N -1 3 384.444 0.358 20 0 GCADHM CC1(Nc2ncccc2-c2nnn[n-]2)CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001571242296 953255238 /nfs/dbraw/zinc/25/52/38/953255238.db2.gz CSFHQVLUXQGJGN-GFCCVEGCSA-N -1 3 384.444 0.581 20 0 GCADHM CC1(Nc2ncccc2-c2nn[n-]n2)CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001571242296 953255240 /nfs/dbraw/zinc/25/52/40/953255240.db2.gz CSFHQVLUXQGJGN-GFCCVEGCSA-N -1 3 384.444 0.581 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571242583 953257658 /nfs/dbraw/zinc/25/76/58/953257658.db2.gz JKABUOLKTYQNBV-ZIAGYGMSSA-N -1 3 384.444 0.676 20 0 GCADHM CN1C(=O)CC[C@@H]1C(=O)N1CCCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571242583 953257662 /nfs/dbraw/zinc/25/76/62/953257662.db2.gz JKABUOLKTYQNBV-ZIAGYGMSSA-N -1 3 384.444 0.676 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001571242601 953257683 /nfs/dbraw/zinc/25/76/83/953257683.db2.gz JYZWJSOGRILISA-BFHYXJOUSA-N -1 3 384.444 0.322 20 0 GCADHM CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001571242601 953257686 /nfs/dbraw/zinc/25/76/86/953257686.db2.gz JYZWJSOGRILISA-BFHYXJOUSA-N -1 3 384.444 0.322 20 0 GCADHM CN(C(=O)C[C@H]1CCNC1=O)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571242611 953257838 /nfs/dbraw/zinc/25/78/38/953257838.db2.gz KFFRUCGCZSPEBQ-GFCCVEGCSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C(=O)C[C@H]1CCNC1=O)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571242611 953257839 /nfs/dbraw/zinc/25/78/39/953257839.db2.gz KFFRUCGCZSPEBQ-GFCCVEGCSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C(=O)C[C@@H]1CCNC1=O)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571242612 953258047 /nfs/dbraw/zinc/25/80/47/953258047.db2.gz KFFRUCGCZSPEBQ-LBPRGKRZSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C(=O)C[C@@H]1CCNC1=O)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571242612 953258051 /nfs/dbraw/zinc/25/80/51/953258051.db2.gz KFFRUCGCZSPEBQ-LBPRGKRZSA-N -1 3 384.444 0.215 20 0 GCADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571242723 953259220 /nfs/dbraw/zinc/25/92/20/953259220.db2.gz MLIPBLMBDUHCTI-OCCSQVGLSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001571242723 953259224 /nfs/dbraw/zinc/25/92/24/953259224.db2.gz MLIPBLMBDUHCTI-OCCSQVGLSA-N -1 3 384.444 0.533 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571242710 953259389 /nfs/dbraw/zinc/25/93/89/953259389.db2.gz MEYKNZMFMJDAAB-CHWSQXEVSA-N -1 3 384.444 0.391 20 0 GCADHM C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571242710 953259391 /nfs/dbraw/zinc/25/93/91/953259391.db2.gz MEYKNZMFMJDAAB-CHWSQXEVSA-N -1 3 384.444 0.391 20 0 GCADHM C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571242712 953259416 /nfs/dbraw/zinc/25/94/16/953259416.db2.gz MEYKNZMFMJDAAB-QWHCGFSZSA-N -1 3 384.444 0.391 20 0 GCADHM C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571242712 953259417 /nfs/dbraw/zinc/25/94/17/953259417.db2.gz MEYKNZMFMJDAAB-QWHCGFSZSA-N -1 3 384.444 0.391 20 0 GCADHM CN(C(=O)[C@]1(C)CCNC(=O)C1)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571242746 953259775 /nfs/dbraw/zinc/25/97/75/953259775.db2.gz NEGFDVWPBACIJX-SCLBCKFNSA-N -1 3 384.444 0.215 20 0 GCADHM CN(C(=O)[C@]1(C)CCNC(=O)C1)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571242746 953259776 /nfs/dbraw/zinc/25/97/76/953259776.db2.gz NEGFDVWPBACIJX-SCLBCKFNSA-N -1 3 384.444 0.215 20 0 GCADHM CN(c1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC001571242845 953260559 /nfs/dbraw/zinc/26/05/59/953260559.db2.gz PGUIBZOCVXVDTR-UONOGXRCSA-N -1 3 384.444 0.200 20 0 GCADHM CN(c1ccc(-c2nn[n-]n2)nc1)C1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 ZINC001571242845 953260561 /nfs/dbraw/zinc/26/05/61/953260561.db2.gz PGUIBZOCVXVDTR-UONOGXRCSA-N -1 3 384.444 0.200 20 0 GCADHM C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001571242893 953260765 /nfs/dbraw/zinc/26/07/65/953260765.db2.gz QMXZMTXKNKHONR-AEDCBLDQSA-N -1 3 384.444 0.119 20 0 GCADHM C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001571242893 953260773 /nfs/dbraw/zinc/26/07/73/953260773.db2.gz QMXZMTXKNKHONR-AEDCBLDQSA-N -1 3 384.444 0.119 20 0 GCADHM CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)CC1=O ZINC001571242881 953261334 /nfs/dbraw/zinc/26/13/34/953261334.db2.gz QIDMGRDJYQOHLD-RWMBFGLXSA-N -1 3 384.444 0.437 20 0 GCADHM CN1C[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)CC1=O ZINC001571242881 953261335 /nfs/dbraw/zinc/26/13/35/953261335.db2.gz QIDMGRDJYQOHLD-RWMBFGLXSA-N -1 3 384.444 0.437 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001571243006 953261741 /nfs/dbraw/zinc/26/17/41/953261741.db2.gz SVOSMGOYFAIUGF-KZULUSFZSA-N -1 3 384.444 0.581 20 0 GCADHM C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ncccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001571243006 953261744 /nfs/dbraw/zinc/26/17/44/953261744.db2.gz SVOSMGOYFAIUGF-KZULUSFZSA-N -1 3 384.444 0.581 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001571243014 953262142 /nfs/dbraw/zinc/26/21/42/953262142.db2.gz TYMIWFQDYJGXRV-DZGCQCFKSA-N -1 3 384.444 0.594 20 0 GCADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001571243014 953262144 /nfs/dbraw/zinc/26/21/44/953262144.db2.gz TYMIWFQDYJGXRV-DZGCQCFKSA-N -1 3 384.444 0.594 20 0 GCADHM CCN1C[C@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)CC2)CC1=O ZINC001571243076 953262441 /nfs/dbraw/zinc/26/24/41/953262441.db2.gz VETDZGFWZBXDQK-CYBMUJFWSA-N -1 3 384.444 0.087 20 0 GCADHM CCN1C[C@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)CC2)CC1=O ZINC001571243076 953262442 /nfs/dbraw/zinc/26/24/42/953262442.db2.gz VETDZGFWZBXDQK-CYBMUJFWSA-N -1 3 384.444 0.087 20 0 GCADHM CC(=O)N1CC[C@](C)(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571243128 953263508 /nfs/dbraw/zinc/26/35/08/953263508.db2.gz WTLZBZWNXMUXAR-ACJLOTCBSA-N -1 3 384.444 0.215 20 0 GCADHM 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/nfs/dbraw/zinc/27/17/16/953271716.db2.gz FGPISULUPBRACA-GFCCVEGCSA-N -1 3 384.448 0.308 20 0 GCADHM CCn1nc(C)c(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571245423 953273004 /nfs/dbraw/zinc/27/30/04/953273004.db2.gz ICWPJHYSXYUTFY-CYBMUJFWSA-N -1 3 384.448 0.461 20 0 GCADHM CCn1nc(C)c(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571245423 953273006 /nfs/dbraw/zinc/27/30/06/953273006.db2.gz ICWPJHYSXYUTFY-CYBMUJFWSA-N -1 3 384.448 0.461 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571245416 953273311 /nfs/dbraw/zinc/27/33/11/953273311.db2.gz IALFDIWZDWDAMX-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM CC(C)n1ncnc1CN1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571245416 953273314 /nfs/dbraw/zinc/27/33/14/953273314.db2.gz IALFDIWZDWDAMX-ZDUSSCGKSA-N -1 3 384.448 0.762 20 0 GCADHM Cn1cc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C(C)(C)C2)nn1 ZINC001571245481 953273906 /nfs/dbraw/zinc/27/39/06/953273906.db2.gz 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CC(C)n1ncnc1CN[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001571245972 953278852 /nfs/dbraw/zinc/27/88/52/953278852.db2.gz PQKFUDNQUPFMRR-YPMHNXCESA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)n1ncnc1CN[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001571245972 953278855 /nfs/dbraw/zinc/27/88/55/953278855.db2.gz PQKFUDNQUPFMRR-YPMHNXCESA-N -1 3 384.448 0.760 20 0 GCADHM CC(C)n1cc(CN2CC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001571246094 953280472 /nfs/dbraw/zinc/28/04/72/953280472.db2.gz SNIBCTCUBHBZTF-GFCCVEGCSA-N -1 3 384.448 0.619 20 0 GCADHM CC(C)n1cc(CN2CC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001571246094 953280474 /nfs/dbraw/zinc/28/04/74/953280474.db2.gz SNIBCTCUBHBZTF-GFCCVEGCSA-N -1 3 384.448 0.619 20 0 GCADHM CCCn1c(C)nnc1CN1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571246248 953281975 /nfs/dbraw/zinc/28/19/75/953281975.db2.gz WVXDRLJXGSDVLJ-CYBMUJFWSA-N -1 3 384.448 0.509 20 0 GCADHM CCCn1c(C)nnc1CN1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571246248 953281977 /nfs/dbraw/zinc/28/19/77/953281977.db2.gz WVXDRLJXGSDVLJ-CYBMUJFWSA-N -1 3 384.448 0.509 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCC[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001571248043 953289144 /nfs/dbraw/zinc/28/91/44/953289144.db2.gz CPFOKHPDITUSFL-YUTCNCBUSA-N -1 3 384.444 0.342 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCC[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 ZINC001571248043 953289148 /nfs/dbraw/zinc/28/91/48/953289148.db2.gz CPFOKHPDITUSFL-YUTCNCBUSA-N -1 3 384.444 0.342 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571248541 953294157 /nfs/dbraw/zinc/29/41/57/953294157.db2.gz GEQCHCHZQPEYCQ-CHWSQXEVSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@H]1CCC(=O)NC1)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571248541 953294160 /nfs/dbraw/zinc/29/41/60/953294160.db2.gz GEQCHCHZQPEYCQ-CHWSQXEVSA-N -1 3 384.444 0.581 20 0 GCADHM O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)cn2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571248626 953295119 /nfs/dbraw/zinc/29/51/19/953295119.db2.gz HTOQDYCLXPTIQR-LXVYMNJGSA-N -1 3 384.444 0.485 20 0 GCADHM O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)cn2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571248626 953295122 /nfs/dbraw/zinc/29/51/22/953295122.db2.gz HTOQDYCLXPTIQR-LXVYMNJGSA-N -1 3 384.444 0.485 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)n1 ZINC001571248847 953297868 /nfs/dbraw/zinc/29/78/68/953297868.db2.gz KFVKLXHXUPHHDG-CYDGBPFRSA-N -1 3 384.444 0.388 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2C[C@H](NC(=O)[C@H]3CC[C@@H]3C(N)=O)C2)n1 ZINC001571248847 953297871 /nfs/dbraw/zinc/29/78/71/953297871.db2.gz KFVKLXHXUPHHDG-CYDGBPFRSA-N -1 3 384.444 0.388 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)CC3)C2)ccc1-c1nnn[n-]1 ZINC001571248826 953298266 /nfs/dbraw/zinc/29/82/66/953298266.db2.gz JMHGCNMAWNDIMM-QWHCGFSZSA-N -1 3 384.444 0.181 20 0 GCADHM Cc1nc(N2CC[C@@H](NC(=O)[C@@H]3CCNC(=O)CC3)C2)ccc1-c1nn[n-]n1 ZINC001571248826 953298271 /nfs/dbraw/zinc/29/82/71/953298271.db2.gz JMHGCNMAWNDIMM-QWHCGFSZSA-N -1 3 384.444 0.181 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571248881 953298551 /nfs/dbraw/zinc/29/85/51/953298551.db2.gz LCVUNUWKHCBWKE-OLZOCXBDSA-N -1 3 384.444 0.202 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571248881 953298555 /nfs/dbraw/zinc/29/85/55/953298555.db2.gz LCVUNUWKHCBWKE-OLZOCXBDSA-N -1 3 384.444 0.202 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571248886 953298695 /nfs/dbraw/zinc/29/86/95/953298695.db2.gz LFDGEBFMCNOHHG-CYBMUJFWSA-N -1 3 384.444 0.359 20 0 GCADHM O=C(C[C@H]1CCCC(=O)N1)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571248886 953298697 /nfs/dbraw/zinc/29/86/97/953298697.db2.gz LFDGEBFMCNOHHG-CYBMUJFWSA-N -1 3 384.444 0.359 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571248880 953298861 /nfs/dbraw/zinc/29/88/61/953298861.db2.gz LCVUNUWKHCBWKE-CHWSQXEVSA-N -1 3 384.444 0.202 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571248880 953298863 /nfs/dbraw/zinc/29/88/63/953298863.db2.gz LCVUNUWKHCBWKE-CHWSQXEVSA-N -1 3 384.444 0.202 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571248950 953299082 /nfs/dbraw/zinc/29/90/82/953299082.db2.gz MMKUJZFHVLEDIU-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM CC(C)(C)n1cc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571248950 953299086 /nfs/dbraw/zinc/29/90/86/953299086.db2.gz MMKUJZFHVLEDIU-GFCCVEGCSA-N -1 3 384.448 0.546 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)CN3CCCC3=O)C2)ccc1-c1nnn[n-]1 ZINC001571248879 953299114 /nfs/dbraw/zinc/29/91/14/953299114.db2.gz KZKWMPYKZPNKCZ-UHFFFAOYSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(NCC2CC(NC(=O)CN3CCCC3=O)C2)ccc1-c1nn[n-]n1 ZINC001571248879 953299120 /nfs/dbraw/zinc/29/91/20/953299120.db2.gz KZKWMPYKZPNKCZ-UHFFFAOYSA-N -1 3 384.444 0.499 20 0 GCADHM Cc1nc(NC[C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)ccc1-c1nnn[n-]1 ZINC001571249373 953304688 /nfs/dbraw/zinc/30/46/88/953304688.db2.gz PCIWGSGYBFDFLG-GXTWGEPZSA-N -1 3 384.444 0.642 20 0 GCADHM Cc1nc(NC[C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)ccc1-c1nn[n-]n1 ZINC001571249373 953304693 /nfs/dbraw/zinc/30/46/93/953304693.db2.gz PCIWGSGYBFDFLG-GXTWGEPZSA-N -1 3 384.444 0.642 20 0 GCADHM Cc1nc(NC2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1-c1nnn[n-]1 ZINC001571250343 953310743 /nfs/dbraw/zinc/31/07/43/953310743.db2.gz QVKQVYSADHEZKP-QUINOFQRSA-N -1 3 384.444 0.531 20 0 GCADHM Cc1nc(NC2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)ccc1-c1nn[n-]n1 ZINC001571250343 953310750 /nfs/dbraw/zinc/31/07/50/953310750.db2.gz QVKQVYSADHEZKP-QUINOFQRSA-N -1 3 384.444 0.531 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571250414 953310899 /nfs/dbraw/zinc/31/08/99/953310899.db2.gz RIGYLFDRDLIRIB-STQMWFEESA-N -1 3 384.444 0.581 20 0 GCADHM O=C(C[C@@H]1CCCC(=O)N1)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571250414 953310903 /nfs/dbraw/zinc/31/09/03/953310903.db2.gz RIGYLFDRDLIRIB-STQMWFEESA-N -1 3 384.444 0.581 20 0 GCADHM O=C(CCN1CCCC1=O)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571250461 953311223 /nfs/dbraw/zinc/31/12/23/953311223.db2.gz RSQTZRXBBPWSNG-CQSZACIVSA-N -1 3 384.444 0.677 20 0 GCADHM O=C(CCN1CCCC1=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571250461 953311227 /nfs/dbraw/zinc/31/12/27/953311227.db2.gz RSQTZRXBBPWSNG-CQSZACIVSA-N -1 3 384.444 0.677 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N1CCC(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001571251718 953318589 /nfs/dbraw/zinc/31/85/89/953318589.db2.gz VCGOUVNINRLDPK-ZDUSSCGKSA-N -1 3 384.444 0.438 20 0 GCADHM O=C(C[C@@H]1CCNC1=O)N1CCC(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001571251718 953318595 /nfs/dbraw/zinc/31/85/95/953318595.db2.gz VCGOUVNINRLDPK-ZDUSSCGKSA-N -1 3 384.444 0.438 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC001571251765 953319616 /nfs/dbraw/zinc/31/96/16/953319616.db2.gz WDBUNKCUWYQLAD-STQMWFEESA-N -1 3 384.444 0.133 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(C)C3)C2)n1 ZINC001571251765 953319619 /nfs/dbraw/zinc/31/96/19/953319619.db2.gz WDBUNKCUWYQLAD-STQMWFEESA-N -1 3 384.444 0.133 20 0 GCADHM Cc1nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571251787 953320009 /nfs/dbraw/zinc/32/00/09/953320009.db2.gz XAYZFJFXIPFYCO-SCRDCRAPSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1nc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571251787 953320013 /nfs/dbraw/zinc/32/00/13/953320013.db2.gz XAYZFJFXIPFYCO-SCRDCRAPSA-N -1 3 384.444 0.546 20 0 GCADHM Cc1nc(N[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)ccc1-c1nnn[n-]1 ZINC001571252192 953325127 /nfs/dbraw/zinc/32/51/27/953325127.db2.gz YIPXQIQAXVDFAU-ZDUSSCGKSA-N -1 3 384.444 0.595 20 0 GCADHM Cc1nc(N[C@H]2CCCN(C(=O)CN3CCCC3=O)C2)ccc1-c1nn[n-]n1 ZINC001571252192 953325130 /nfs/dbraw/zinc/32/51/30/953325130.db2.gz YIPXQIQAXVDFAU-ZDUSSCGKSA-N -1 3 384.444 0.595 20 0 GCADHM CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571254179 953335716 /nfs/dbraw/zinc/33/57/16/953335716.db2.gz AIZHJVWVEVUUQY-QWRGUYRKSA-N -1 3 385.350 0.972 20 0 GCADHM CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571254179 953335720 /nfs/dbraw/zinc/33/57/20/953335720.db2.gz AIZHJVWVEVUUQY-QWRGUYRKSA-N -1 3 385.350 0.972 20 0 GCADHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ncc(Cl)c(C)c3-c3nnn[n-]3)C[C@H]21 ZINC001571254155 953335784 /nfs/dbraw/zinc/33/57/84/953335784.db2.gz AFQWOOVASNLEMJ-GDPRMGEGSA-N -1 3 384.849 0.472 20 0 GCADHM CO[C@@H]1CS(=O)(=O)[C@H]2CN(c3ncc(Cl)c(C)c3-c3nn[n-]n3)C[C@H]21 ZINC001571254155 953335789 /nfs/dbraw/zinc/33/57/89/953335789.db2.gz AFQWOOVASNLEMJ-GDPRMGEGSA-N -1 3 384.849 0.472 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncn2C)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571253973 953336383 /nfs/dbraw/zinc/33/63/83/953336383.db2.gz CHWOTNRRQYUPKJ-GWCFXTLKSA-N -1 3 385.407 0.922 20 0 GCADHM C[C@H]1[C@@H](NC(=O)c2cncn2C)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571253973 953336386 /nfs/dbraw/zinc/33/63/86/953336386.db2.gz CHWOTNRRQYUPKJ-GWCFXTLKSA-N -1 3 385.407 0.922 20 0 GCADHM CO[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1NC(=O)c1cocc1C ZINC001571254753 953341825 /nfs/dbraw/zinc/34/18/25/953341825.db2.gz CPBSZBSZAVVWDX-ZIAGYGMSSA-N -1 3 385.384 0.366 20 0 GCADHM CO[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1NC(=O)c1cocc1C ZINC001571254753 953341831 /nfs/dbraw/zinc/34/18/31/953341831.db2.gz CPBSZBSZAVVWDX-ZIAGYGMSSA-N -1 3 385.384 0.366 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)n1cccc1 ZINC001571255229 953347081 /nfs/dbraw/zinc/34/70/81/953347081.db2.gz MXCUFWSPTZZVII-LNSITVRQSA-N -1 3 385.403 0.734 20 0 GCADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)n1cccc1 ZINC001571255229 953347085 /nfs/dbraw/zinc/34/70/85/953347085.db2.gz MXCUFWSPTZZVII-LNSITVRQSA-N -1 3 385.403 0.734 20 0 GCADHM O=C(NC[C@@H]1CCN1C[C@H](O)c1ccccc1F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571255570 953350578 /nfs/dbraw/zinc/35/05/78/953350578.db2.gz QLUYPZSPXATPPN-LRDDRELGSA-N -1 3 385.403 0.872 20 0 GCADHM O=C(NC[C@@H]1CCN1C[C@H](O)c1ccccc1F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571255570 953350584 /nfs/dbraw/zinc/35/05/84/953350584.db2.gz QLUYPZSPXATPPN-LRDDRELGSA-N -1 3 385.403 0.872 20 0 GCADHM O=C(NC[C@H]1CCN1C[C@@H](O)c1ccccc1F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571255572 953350942 /nfs/dbraw/zinc/35/09/42/953350942.db2.gz QLUYPZSPXATPPN-MLGOLLRUSA-N -1 3 385.403 0.872 20 0 GCADHM O=C(NC[C@H]1CCN1C[C@@H](O)c1ccccc1F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571255572 953350943 /nfs/dbraw/zinc/35/09/43/953350943.db2.gz QLUYPZSPXATPPN-MLGOLLRUSA-N -1 3 385.403 0.872 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)co1 ZINC001571255571 953351327 /nfs/dbraw/zinc/35/13/27/953351327.db2.gz JPKQHQGRRJBYCO-GXTWGEPZSA-N -1 3 385.384 0.102 20 0 GCADHM Cc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)co1 ZINC001571255571 953351332 /nfs/dbraw/zinc/35/13/32/953351332.db2.gz JPKQHQGRRJBYCO-GXTWGEPZSA-N -1 3 385.384 0.102 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[C@@H](c2noc(C)n2)C1 ZINC001571255991 953360093 /nfs/dbraw/zinc/36/00/93/953360093.db2.gz NSZGOOYDBXWVGR-GFCCVEGCSA-N -1 3 385.384 0.962 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@@H](c2noc(C)n2)C1 ZINC001571255991 953360101 /nfs/dbraw/zinc/36/01/01/953360101.db2.gz NSZGOOYDBXWVGR-GFCCVEGCSA-N -1 3 385.384 0.962 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)c1cnn(C)c1 ZINC001571256076 953360880 /nfs/dbraw/zinc/36/08/80/953360880.db2.gz XRPVEXUDHLTNFA-GWCFXTLKSA-N -1 3 385.407 0.951 20 0 GCADHM C[C@H](C(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)c1cnn(C)c1 ZINC001571256076 953360888 /nfs/dbraw/zinc/36/08/88/953360888.db2.gz XRPVEXUDHLTNFA-GWCFXTLKSA-N -1 3 385.407 0.951 20 0 GCADHM COC(=O)C1=NO[C@]2(CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571256304 953366893 /nfs/dbraw/zinc/36/68/93/953366893.db2.gz SNNFWJLENNTTKW-QGZVFWFLSA-N -1 3 385.384 0.470 20 0 GCADHM COC(=O)C1=NO[C@]2(CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571256304 953366900 /nfs/dbraw/zinc/36/69/00/953366900.db2.gz SNNFWJLENNTTKW-QGZVFWFLSA-N -1 3 385.384 0.470 20 0 GCADHM C[C@@H](O)[C@@H](CO)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001571256381 953370910 /nfs/dbraw/zinc/37/09/10/953370910.db2.gz SVEFBCHAKNNLAC-QMTHXVAHSA-N -1 3 385.384 0.917 20 0 GCADHM C[C@@H](O)[C@@H](CO)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001571256381 953370923 /nfs/dbraw/zinc/37/09/23/953370923.db2.gz SVEFBCHAKNNLAC-QMTHXVAHSA-N -1 3 385.384 0.917 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000532866036 953565596 /nfs/dbraw/zinc/56/55/96/953565596.db2.gz SRWWCDFVPFLZHK-UHFFFAOYSA-N -1 3 375.347 0.910 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000532866168 953566103 /nfs/dbraw/zinc/56/61/03/953566103.db2.gz YQNPWLVZFZLWMW-UHFFFAOYSA-N -1 3 391.449 0.823 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1 ZINC000533186879 953568232 /nfs/dbraw/zinc/56/82/32/953568232.db2.gz IYNAJDBYGSVUMK-UHFFFAOYSA-N -1 3 399.513 0.993 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CN1C1CC1 ZINC001589293380 953621489 /nfs/dbraw/zinc/62/14/89/953621489.db2.gz NFDPMVWVPFACEQ-MCIONIFRSA-N -1 3 378.473 0.719 20 0 GCADHM CCOc1ccccc1N1C[C@H](C(=O)N(CCN(C)C)CC(=O)[O-])CC1=O ZINC000579306571 953707034 /nfs/dbraw/zinc/70/70/34/953707034.db2.gz FKCMQMBBPAYXGP-CQSZACIVSA-N -1 3 377.441 0.913 20 0 GCADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(-n2cc(Br)cn2)nn1 ZINC001593699436 954098872 /nfs/dbraw/zinc/09/88/72/954098872.db2.gz HAUOEHDWJJTCEM-UHFFFAOYSA-N -1 3 397.233 0.513 20 0 GCADHM C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001589393599 954352714 /nfs/dbraw/zinc/35/27/14/954352714.db2.gz WAHFJCQLOPGXPA-SPKLELGKSA-N -1 3 397.472 0.676 20 0 GCADHM 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/nfs/dbraw/zinc/19/62/18/531196218.db2.gz VKSMRBWHCIGYQN-UHFFFAOYSA-N -1 3 383.451 0.567 20 0 GCADHM CN(C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000052538102 531196304 /nfs/dbraw/zinc/19/63/04/531196304.db2.gz SGEXVQNPMGXWTC-SNVBAGLBSA-N -1 3 396.437 0.279 20 0 GCADHM C[C@]1(C(N)=O)CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443036491 531195144 /nfs/dbraw/zinc/19/51/44/531195144.db2.gz FEXVLTRUUGCYMW-CQSZACIVSA-N -1 3 384.849 0.939 20 0 GCADHM C[C@]1(C(N)=O)CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443036491 531195148 /nfs/dbraw/zinc/19/51/48/531195148.db2.gz FEXVLTRUUGCYMW-CQSZACIVSA-N -1 3 384.849 0.939 20 0 GCADHM C[C@@]1(C(N)=O)CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000443036488 531195214 /nfs/dbraw/zinc/19/52/14/531195214.db2.gz FEXVLTRUUGCYMW-AWEZNQCLSA-N -1 3 384.849 0.939 20 0 GCADHM C[C@@]1(C(N)=O)CCCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000443036488 531195216 /nfs/dbraw/zinc/19/52/16/531195216.db2.gz FEXVLTRUUGCYMW-AWEZNQCLSA-N -1 3 384.849 0.939 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000443133084 531197576 /nfs/dbraw/zinc/19/75/76/531197576.db2.gz UFWKCDSJBHLBLD-ZJUUUORDSA-N -1 3 375.472 0.855 20 0 GCADHM COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](O)COc1ccc(F)cc1 ZINC000443187890 531197741 /nfs/dbraw/zinc/19/77/41/531197741.db2.gz PQURRSDWOATANT-SNVBAGLBSA-N -1 3 390.414 0.787 20 0 GCADHM O=S(=O)(C[C@H]1CCCCO1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000443091109 531196627 /nfs/dbraw/zinc/19/66/27/531196627.db2.gz HFOIFWSYYFXXRV-GFCCVEGCSA-N -1 3 398.453 0.732 20 0 GCADHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]CCC[S@](C)=O)c1 ZINC000443120880 531197447 /nfs/dbraw/zinc/19/74/47/531197447.db2.gz QCBTWDJJHJHZJM-QHCPKHFHSA-N -1 3 377.440 0.307 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)c2nncn2C)c(C(=O)OC)s1 ZINC000443104158 531197480 /nfs/dbraw/zinc/19/74/80/531197480.db2.gz DIDYBCKIRATHPB-SSDOTTSWSA-N -1 3 388.427 0.489 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H](C)CS(C)(=O)=O ZINC000737034048 598825165 /nfs/dbraw/zinc/82/51/65/598825165.db2.gz VXVHIBMNKYPHEE-LLVKDONJSA-N -1 3 397.457 0.584 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@H](C)CS(C)(=O)=O ZINC000737034048 598825166 /nfs/dbraw/zinc/82/51/66/598825166.db2.gz VXVHIBMNKYPHEE-LLVKDONJSA-N -1 3 397.457 0.584 20 0 GCADHM COC(=O)CCc1nc(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)no1 ZINC000736918709 598826140 /nfs/dbraw/zinc/82/61/40/598826140.db2.gz IPHAZASCYWTXRI-UHFFFAOYSA-N -1 3 395.383 0.971 20 0 GCADHM COC(=O)CCc1nc(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)no1 ZINC000736918709 598826142 /nfs/dbraw/zinc/82/61/42/598826142.db2.gz IPHAZASCYWTXRI-UHFFFAOYSA-N -1 3 395.383 0.971 20 0 GCADHM CCOC(=O)CCCNC(=O)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736592297 598827158 /nfs/dbraw/zinc/82/71/58/598827158.db2.gz NRSBZTKEBYEBLV-UHFFFAOYSA-N -1 3 398.427 0.893 20 0 GCADHM CCOC(=O)CCCNC(=O)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000736592297 598827159 /nfs/dbraw/zinc/82/71/59/598827159.db2.gz NRSBZTKEBYEBLV-UHFFFAOYSA-N -1 3 398.427 0.893 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736881590 598827570 /nfs/dbraw/zinc/82/75/70/598827570.db2.gz DWAFEZWBKYOBAF-FZMZJTMJSA-N -1 3 394.457 0.174 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735571441 598830996 /nfs/dbraw/zinc/83/09/96/598830996.db2.gz DFJUADBYLKMIMN-MBNYWOFBSA-N -1 3 383.474 0.360 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000736884652 598827689 /nfs/dbraw/zinc/82/76/89/598827689.db2.gz WKQHLXXEFQKXGR-LJTDUEICSA-N -1 3 376.442 0.420 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000736884652 598827690 /nfs/dbraw/zinc/82/76/90/598827690.db2.gz WKQHLXXEFQKXGR-LJTDUEICSA-N -1 3 376.442 0.420 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000736039380 598832451 /nfs/dbraw/zinc/83/24/51/598832451.db2.gz IXABLTPAOARNFL-GFCCVEGCSA-N -1 3 392.485 0.380 20 0 GCADHM C[C@H](CS(C)(=O)=O)N(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000736039380 598832452 /nfs/dbraw/zinc/83/24/52/598832452.db2.gz IXABLTPAOARNFL-GFCCVEGCSA-N -1 3 392.485 0.380 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736883243 598832817 /nfs/dbraw/zinc/83/28/17/598832817.db2.gz PVYFYCBVVGVDJD-NWDGAFQWSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736883243 598832818 /nfs/dbraw/zinc/83/28/18/598832818.db2.gz PVYFYCBVVGVDJD-NWDGAFQWSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000736883245 598832915 /nfs/dbraw/zinc/83/29/15/598832915.db2.gz PVYFYCBVVGVDJD-VXGBXAGGSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000736883245 598832916 /nfs/dbraw/zinc/83/29/16/598832916.db2.gz PVYFYCBVVGVDJD-VXGBXAGGSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736882124 598833047 /nfs/dbraw/zinc/83/30/47/598833047.db2.gz JIOTYGFQTAPVJC-BXUZGUMPSA-N -1 3 393.473 0.207 20 0 GCADHM CNS(=O)(=O)[C@@H]1CCCN([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736882124 598833048 /nfs/dbraw/zinc/83/30/48/598833048.db2.gz JIOTYGFQTAPVJC-BXUZGUMPSA-N -1 3 393.473 0.207 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735572104 598835787 /nfs/dbraw/zinc/83/57/87/598835787.db2.gz RJSXYCCSCWQAJK-MNOVXSKESA-N -1 3 387.487 0.450 20 0 GCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735572104 598835789 /nfs/dbraw/zinc/83/57/89/598835789.db2.gz RJSXYCCSCWQAJK-MNOVXSKESA-N -1 3 387.487 0.450 20 0 GCADHM C[C@H]([C@H](C)N(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000735572152 598835805 /nfs/dbraw/zinc/83/58/05/598835805.db2.gz SEEKVKCXKSDDKG-DTWKUNHWSA-N -1 3 391.450 0.448 20 0 GCADHM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736508828 598836096 /nfs/dbraw/zinc/83/60/96/598836096.db2.gz OFECEUDHOVZGEP-NSHDSACASA-N -1 3 387.487 0.701 20 0 GCADHM CCN([C@@H](C)CS(=O)(=O)CC)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736508828 598836098 /nfs/dbraw/zinc/83/60/98/598836098.db2.gz OFECEUDHOVZGEP-NSHDSACASA-N -1 3 387.487 0.701 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCN1C(=O)CNC1=O ZINC000736478719 598839775 /nfs/dbraw/zinc/83/97/75/598839775.db2.gz AZZSAYSKDJHTSU-UHFFFAOYSA-N -1 3 386.416 0.340 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCN1C(=O)CNC1=O ZINC000736478719 598839776 /nfs/dbraw/zinc/83/97/76/598839776.db2.gz AZZSAYSKDJHTSU-UHFFFAOYSA-N -1 3 386.416 0.340 20 0 GCADHM CC(=O)NCc1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735481705 598840645 /nfs/dbraw/zinc/84/06/45/598840645.db2.gz KNTTYVGNSHSXID-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM CC(=O)NCc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735481705 598840646 /nfs/dbraw/zinc/84/06/46/598840646.db2.gz KNTTYVGNSHSXID-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CNC(=O)c1ccccn1 ZINC000737001977 598844929 /nfs/dbraw/zinc/84/49/29/598844929.db2.gz HXMNGHMFUAYJFY-UHFFFAOYSA-N -1 3 395.423 0.667 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CNC(=O)c1ccccn1 ZINC000737001977 598844931 /nfs/dbraw/zinc/84/49/31/598844931.db2.gz HXMNGHMFUAYJFY-UHFFFAOYSA-N -1 3 395.423 0.667 20 0 GCADHM Cn1nnnc1COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000737629040 598845529 /nfs/dbraw/zinc/84/55/29/598845529.db2.gz ZRLRRVIHESBYAK-UHFFFAOYSA-N -1 3 382.340 0.919 20 0 GCADHM Cn1nnnc1COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000737629040 598845531 /nfs/dbraw/zinc/84/55/31/598845531.db2.gz ZRLRRVIHESBYAK-UHFFFAOYSA-N -1 3 382.340 0.919 20 0 GCADHM O=C(CNC(=O)c1ccccn1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738040649 598847482 /nfs/dbraw/zinc/84/74/82/598847482.db2.gz VNZXJDJXXKAPRI-UHFFFAOYSA-N -1 3 392.423 0.340 20 0 GCADHM O=C(CNC(=O)c1ccccn1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738040649 598847484 /nfs/dbraw/zinc/84/74/84/598847484.db2.gz VNZXJDJXXKAPRI-UHFFFAOYSA-N -1 3 392.423 0.340 20 0 GCADHM O=Cc1cccc(OCC(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738316927 598850194 /nfs/dbraw/zinc/85/01/94/598850194.db2.gz HPIGYNPLKXOZMQ-UHFFFAOYSA-N -1 3 395.375 0.918 20 0 GCADHM O=Cc1cccc(OCC(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738316927 598850195 /nfs/dbraw/zinc/85/01/95/598850195.db2.gz HPIGYNPLKXOZMQ-UHFFFAOYSA-N -1 3 395.375 0.918 20 0 GCADHM COCC(=O)N1CCN(Cn2c(C)nnc2-c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736966680 598851160 /nfs/dbraw/zinc/85/11/60/598851160.db2.gz XLGCXALKFYDOFQ-UHFFFAOYSA-N -1 3 397.443 0.182 20 0 GCADHM COCC(=O)N1CCN(Cn2c(C)nnc2-c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736966680 598851161 /nfs/dbraw/zinc/85/11/61/598851161.db2.gz XLGCXALKFYDOFQ-UHFFFAOYSA-N -1 3 397.443 0.182 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736657306 598852135 /nfs/dbraw/zinc/85/21/35/598852135.db2.gz RYAVXKIUNABSQU-SNVBAGLBSA-N -1 3 384.437 0.970 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736657306 598852136 /nfs/dbraw/zinc/85/21/36/598852136.db2.gz RYAVXKIUNABSQU-SNVBAGLBSA-N -1 3 384.437 0.970 20 0 GCADHM CN(Cc1ccon1)CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736830023 598853055 /nfs/dbraw/zinc/85/30/55/598853055.db2.gz OLPGCQYGBGWUFP-UHFFFAOYSA-N -1 3 382.384 0.708 20 0 GCADHM CN(Cc1ccon1)CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736830023 598853057 /nfs/dbraw/zinc/85/30/57/598853057.db2.gz OLPGCQYGBGWUFP-UHFFFAOYSA-N -1 3 382.384 0.708 20 0 GCADHM CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736798812 598854796 /nfs/dbraw/zinc/85/47/96/598854796.db2.gz HUUVDPBVSNEGGJ-UHFFFAOYSA-N -1 3 375.364 0.025 20 0 GCADHM CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736798812 598854798 /nfs/dbraw/zinc/85/47/98/598854798.db2.gz HUUVDPBVSNEGGJ-UHFFFAOYSA-N -1 3 375.364 0.025 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C2CCC2)CC1 ZINC000737057755 598855731 /nfs/dbraw/zinc/85/57/31/598855731.db2.gz SKFRKZCUOSTJDJ-UHFFFAOYSA-N -1 3 385.428 0.511 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735571395 598855072 /nfs/dbraw/zinc/85/50/72/598855072.db2.gz CUDIBOQZPRSKTA-NXEZZACHSA-N -1 3 380.430 0.085 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735571395 598855074 /nfs/dbraw/zinc/85/50/74/598855074.db2.gz CUDIBOQZPRSKTA-NXEZZACHSA-N -1 3 380.430 0.085 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000735572943 598855304 /nfs/dbraw/zinc/85/53/04/598855304.db2.gz ZEUZCSGKHIUEJB-DTWKUNHWSA-N -1 3 398.420 0.224 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000735572943 598855305 /nfs/dbraw/zinc/85/53/05/598855305.db2.gz ZEUZCSGKHIUEJB-DTWKUNHWSA-N -1 3 398.420 0.224 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735571852 598855328 /nfs/dbraw/zinc/85/53/28/598855328.db2.gz LDNPQMPMEDXSOR-NXEZZACHSA-N -1 3 380.430 0.085 20 0 GCADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735571852 598855330 /nfs/dbraw/zinc/85/53/30/598855330.db2.gz LDNPQMPMEDXSOR-NXEZZACHSA-N -1 3 380.430 0.085 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000737287655 598855580 /nfs/dbraw/zinc/85/55/80/598855580.db2.gz FWFAOHQKVPLEQL-GHMZBOCLSA-N -1 3 394.457 0.394 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000737287655 598855581 /nfs/dbraw/zinc/85/55/81/598855581.db2.gz FWFAOHQKVPLEQL-GHMZBOCLSA-N -1 3 394.457 0.394 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000737287659 598856034 /nfs/dbraw/zinc/85/60/34/598856034.db2.gz FWFAOHQKVPLEQL-MNOVXSKESA-N -1 3 394.457 0.394 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000737287659 598856037 /nfs/dbraw/zinc/85/60/37/598856037.db2.gz FWFAOHQKVPLEQL-MNOVXSKESA-N -1 3 394.457 0.394 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1nc(N)nc(N(C)C)n1 ZINC000737524647 598858695 /nfs/dbraw/zinc/85/86/95/598858695.db2.gz OYZHJQUNBRASKI-UHFFFAOYSA-N -1 3 378.404 0.315 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1nc(N)nc(N(C)C)n1 ZINC000737524647 598858697 /nfs/dbraw/zinc/85/86/97/598858697.db2.gz OYZHJQUNBRASKI-UHFFFAOYSA-N -1 3 378.404 0.315 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000736901616 598859613 /nfs/dbraw/zinc/85/96/13/598859613.db2.gz NBTDEWCNCTWWQN-INIZCTEOSA-N -1 3 399.455 0.914 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)N2CCCC2)CC1 ZINC000736901616 598859614 /nfs/dbraw/zinc/85/96/14/598859614.db2.gz NBTDEWCNCTWWQN-INIZCTEOSA-N -1 3 399.455 0.914 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000736902259 598859940 /nfs/dbraw/zinc/85/99/40/598859940.db2.gz SEISAMLXHHEEOE-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000736902259 598859942 /nfs/dbraw/zinc/85/99/42/598859942.db2.gz SEISAMLXHHEEOE-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O)C1CC1 ZINC000736102061 598863128 /nfs/dbraw/zinc/86/31/28/598863128.db2.gz QIQSVDAGWCKETA-HZMBPMFUSA-N -1 3 383.412 0.986 20 0 GCADHM C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O)C1CC1 ZINC000736102061 598863130 /nfs/dbraw/zinc/86/31/30/598863130.db2.gz QIQSVDAGWCKETA-HZMBPMFUSA-N -1 3 383.412 0.986 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736900170 598863796 /nfs/dbraw/zinc/86/37/96/598863796.db2.gz CYFLDAWKEZDQMW-BXUZGUMPSA-N -1 3 394.457 0.081 20 0 GCADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000736900170 598863798 /nfs/dbraw/zinc/86/37/98/598863798.db2.gz CYFLDAWKEZDQMW-BXUZGUMPSA-N -1 3 394.457 0.081 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736293882 598864558 /nfs/dbraw/zinc/86/45/58/598864558.db2.gz SCEJFSMZMIZJOG-SNVBAGLBSA-N -1 3 398.876 0.968 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736293882 598864560 /nfs/dbraw/zinc/86/45/60/598864560.db2.gz SCEJFSMZMIZJOG-SNVBAGLBSA-N -1 3 398.876 0.968 20 0 GCADHM C[C@@H]1C[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736233693 598866608 /nfs/dbraw/zinc/86/66/08/598866608.db2.gz GLZZOORTNVJKIV-QKCSRTOESA-N -1 3 383.412 0.844 20 0 GCADHM C[C@@H]1C[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736233693 598866609 /nfs/dbraw/zinc/86/66/09/598866609.db2.gz GLZZOORTNVJKIV-QKCSRTOESA-N -1 3 383.412 0.844 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000735684066 598872141 /nfs/dbraw/zinc/87/21/41/598872141.db2.gz APOCUEMANSLDCR-GFCCVEGCSA-N -1 3 396.448 0.931 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000735684066 598872142 /nfs/dbraw/zinc/87/21/42/598872142.db2.gz APOCUEMANSLDCR-GFCCVEGCSA-N -1 3 396.448 0.931 20 0 GCADHM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736744860 598873227 /nfs/dbraw/zinc/87/32/27/598873227.db2.gz CTOFQJAJKYVJLL-SNVBAGLBSA-N -1 3 386.434 0.158 20 0 GCADHM CN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736744860 598873228 /nfs/dbraw/zinc/87/32/28/598873228.db2.gz CTOFQJAJKYVJLL-SNVBAGLBSA-N -1 3 386.434 0.158 20 0 GCADHM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737749567 598874041 /nfs/dbraw/zinc/87/40/41/598874041.db2.gz WXTNCRXDROFWAY-SNVBAGLBSA-N -1 3 382.421 0.672 20 0 GCADHM NC(=O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737749567 598874043 /nfs/dbraw/zinc/87/40/43/598874043.db2.gz WXTNCRXDROFWAY-SNVBAGLBSA-N -1 3 382.421 0.672 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000736623431 598874296 /nfs/dbraw/zinc/87/42/96/598874296.db2.gz HGPDLNSBCQFQAW-UHFFFAOYSA-N -1 3 384.437 0.349 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736623431 598874297 /nfs/dbraw/zinc/87/42/97/598874297.db2.gz HGPDLNSBCQFQAW-UHFFFAOYSA-N -1 3 384.437 0.349 20 0 GCADHM NC(=O)COc1ccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737751978 598877113 /nfs/dbraw/zinc/87/71/13/598877113.db2.gz CGEJOIFEADVJRZ-UHFFFAOYSA-N -1 3 375.366 0.499 20 0 GCADHM NC(=O)COc1ccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737751978 598877117 /nfs/dbraw/zinc/87/71/17/598877117.db2.gz CGEJOIFEADVJRZ-UHFFFAOYSA-N -1 3 375.366 0.499 20 0 GCADHM CC(=O)[C@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000735458441 598877466 /nfs/dbraw/zinc/87/74/66/598877466.db2.gz NLVNATBXLYOSDM-GXFFZTMASA-N -1 3 386.368 0.592 20 0 GCADHM CC(=O)[C@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000735458441 598877467 /nfs/dbraw/zinc/87/74/67/598877467.db2.gz NLVNATBXLYOSDM-GXFFZTMASA-N -1 3 386.368 0.592 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCO[C@H](C(F)(F)F)C1 ZINC000738356197 598877830 /nfs/dbraw/zinc/87/78/30/598877830.db2.gz YKMFVDUPWYHGQN-JTQLQIEISA-N -1 3 381.311 0.958 20 0 GCADHM COC(=O)[C@H](NCC(=O)NCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897546 598881707 /nfs/dbraw/zinc/88/17/07/598881707.db2.gz RRPCWUHLOUNOOH-QGZVFWFLSA-N -1 3 380.408 0.987 20 0 GCADHM COC(=O)[C@H](NCC(=O)NCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897546 598881709 /nfs/dbraw/zinc/88/17/09/598881709.db2.gz RRPCWUHLOUNOOH-QGZVFWFLSA-N -1 3 380.408 0.987 20 0 GCADHM COC(=O)[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736894156 598885946 /nfs/dbraw/zinc/88/59/46/598885946.db2.gz GCHDXUIUNIERCL-GJZGRUSLSA-N -1 3 396.411 0.209 20 0 GCADHM COC(=O)[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736894156 598885947 /nfs/dbraw/zinc/88/59/47/598885947.db2.gz GCHDXUIUNIERCL-GJZGRUSLSA-N -1 3 396.411 0.209 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899230 598894849 /nfs/dbraw/zinc/89/48/49/598894849.db2.gz UUUJEBJPYYZHOU-CHWSQXEVSA-N -1 3 388.384 0.415 20 0 GCADHM COC(=O)[C@H](OC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899230 598894850 /nfs/dbraw/zinc/89/48/50/598894850.db2.gz UUUJEBJPYYZHOU-CHWSQXEVSA-N -1 3 388.384 0.415 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737764323 598895014 /nfs/dbraw/zinc/89/50/14/598895014.db2.gz LDZYKAJASMGZOP-NSHDSACASA-N -1 3 382.471 0.238 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737764323 598895015 /nfs/dbraw/zinc/89/50/15/598895015.db2.gz LDZYKAJASMGZOP-NSHDSACASA-N -1 3 382.471 0.238 20 0 GCADHM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC(n2ccnc2)C1 ZINC000737488392 598895214 /nfs/dbraw/zinc/89/52/14/598895214.db2.gz UHILINTWMLNIRI-UHFFFAOYSA-N -1 3 392.427 0.739 20 0 GCADHM COC(=O)[C@H](OC(=O)CN(C)c1ncccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900441 598896240 /nfs/dbraw/zinc/89/62/40/598896240.db2.gz RXMRPFAUZLNIKQ-CQSZACIVSA-N -1 3 383.368 0.550 20 0 GCADHM COC(=O)[C@H](OC(=O)CN(C)c1ncccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900441 598896241 /nfs/dbraw/zinc/89/62/41/598896241.db2.gz RXMRPFAUZLNIKQ-CQSZACIVSA-N -1 3 383.368 0.550 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736898575 598896569 /nfs/dbraw/zinc/89/65/69/598896569.db2.gz PRCFHZAWIVVMHM-NEPJUHHUSA-N -1 3 380.382 0.059 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736898575 598896571 /nfs/dbraw/zinc/89/65/71/598896571.db2.gz PRCFHZAWIVVMHM-NEPJUHHUSA-N -1 3 380.382 0.059 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000735559973 598896642 /nfs/dbraw/zinc/89/66/42/598896642.db2.gz BCKGOJMRCIPXLH-NEPJUHHUSA-N -1 3 393.473 0.194 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000735559973 598896644 /nfs/dbraw/zinc/89/66/44/598896644.db2.gz BCKGOJMRCIPXLH-NEPJUHHUSA-N -1 3 393.473 0.194 20 0 GCADHM OCCOCCN1CCN(c2oc(-c3ccco3)nc2-c2nnn[n-]2)CC1 ZINC000738394366 598900048 /nfs/dbraw/zinc/90/00/48/598900048.db2.gz RZVNEGDVEZOYGP-UHFFFAOYSA-N -1 3 375.389 0.246 20 0 GCADHM OCCOCCN1CCN(c2oc(-c3ccco3)nc2-c2nn[n-]n2)CC1 ZINC000738394366 598900050 /nfs/dbraw/zinc/90/00/50/598900050.db2.gz RZVNEGDVEZOYGP-UHFFFAOYSA-N -1 3 375.389 0.246 20 0 GCADHM CCn1nc(C(=O)O[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000736729677 598900525 /nfs/dbraw/zinc/90/05/25/598900525.db2.gz ZMKKKNSEHONAAP-AWEZNQCLSA-N -1 3 384.352 0.514 20 0 GCADHM CCn1nc(C(=O)O[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000736729677 598900526 /nfs/dbraw/zinc/90/05/26/598900526.db2.gz ZMKKKNSEHONAAP-AWEZNQCLSA-N -1 3 384.352 0.514 20 0 GCADHM CCn1nc(C(=O)O[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)ccc1=O ZINC000736729678 598900791 /nfs/dbraw/zinc/90/07/91/598900791.db2.gz ZMKKKNSEHONAAP-CQSZACIVSA-N -1 3 384.352 0.514 20 0 GCADHM CCn1nc(C(=O)O[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000736729678 598900792 /nfs/dbraw/zinc/90/07/92/598900792.db2.gz ZMKKKNSEHONAAP-CQSZACIVSA-N -1 3 384.352 0.514 20 0 GCADHM O=C(CNC(=O)c1ccccn1)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737891267 598902778 /nfs/dbraw/zinc/90/27/78/598902778.db2.gz JXFUHIMYRMXWPE-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM O=C(CNC(=O)c1ccccn1)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737891267 598902780 /nfs/dbraw/zinc/90/27/80/598902780.db2.gz JXFUHIMYRMXWPE-UHFFFAOYSA-N -1 3 377.364 0.988 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccccn1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737905436 598903015 /nfs/dbraw/zinc/90/30/15/598903015.db2.gz PCCKWEZGFPISCP-UHFFFAOYSA-N -1 3 381.352 0.173 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccccn1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737905436 598903016 /nfs/dbraw/zinc/90/30/16/598903016.db2.gz PCCKWEZGFPISCP-UHFFFAOYSA-N -1 3 381.352 0.173 20 0 GCADHM C[C@@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736154894 598903409 /nfs/dbraw/zinc/90/34/09/598903409.db2.gz ZWIYAHBFHKKPKA-ODWCKFRGSA-N -1 3 399.407 0.979 20 0 GCADHM C[C@@H](OC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736154894 598903410 /nfs/dbraw/zinc/90/34/10/598903410.db2.gz ZWIYAHBFHKKPKA-ODWCKFRGSA-N -1 3 399.407 0.979 20 0 GCADHM O=C(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737909245 598903805 /nfs/dbraw/zinc/90/38/05/598903805.db2.gz RIHWMPQZPKCEAV-YHWZYXNKSA-N -1 3 385.380 0.590 20 0 GCADHM O=C(COC(=O)C1C[C@@H]2COC[C@H](C1)C2=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737909245 598903807 /nfs/dbraw/zinc/90/38/07/598903807.db2.gz RIHWMPQZPKCEAV-YHWZYXNKSA-N -1 3 385.380 0.590 20 0 GCADHM COc1ncc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737163678 598904769 /nfs/dbraw/zinc/90/47/69/598904769.db2.gz MJJMGBBYCLXWOK-UHFFFAOYSA-N -1 3 381.400 0.459 20 0 GCADHM COc1ncc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737163678 598904771 /nfs/dbraw/zinc/90/47/71/598904771.db2.gz MJJMGBBYCLXWOK-UHFFFAOYSA-N -1 3 381.400 0.459 20 0 GCADHM O=C(c1csc2cncn21)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738291051 598905051 /nfs/dbraw/zinc/90/50/51/598905051.db2.gz CBGNKWHLDNLLNR-UHFFFAOYSA-N -1 3 381.425 0.933 20 0 GCADHM O=C(c1csc2cncn21)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738291051 598905053 /nfs/dbraw/zinc/90/50/53/598905053.db2.gz CBGNKWHLDNLLNR-UHFFFAOYSA-N -1 3 381.425 0.933 20 0 GCADHM Cc1nonc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737547068 598906227 /nfs/dbraw/zinc/90/62/27/598906227.db2.gz IORPEVVGLPRDMI-LLVKDONJSA-N -1 3 386.397 0.712 20 0 GCADHM Cc1nonc1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737547068 598906229 /nfs/dbraw/zinc/90/62/29/598906229.db2.gz IORPEVVGLPRDMI-LLVKDONJSA-N -1 3 386.397 0.712 20 0 GCADHM CC(C)(CNC(=O)C=Cc1cccc(-c2nnn[n-]2)c1)N1CCS(=O)CC1 ZINC000735666061 598911298 /nfs/dbraw/zinc/91/12/98/598911298.db2.gz LWNKFFPEBHDMTB-SREVYHEPSA-N -1 3 388.497 0.839 20 0 GCADHM CC(C)(CNC(=O)C=Cc1cccc(-c2nn[n-]n2)c1)N1CCS(=O)CC1 ZINC000735666061 598911299 /nfs/dbraw/zinc/91/12/99/598911299.db2.gz LWNKFFPEBHDMTB-SREVYHEPSA-N -1 3 388.497 0.839 20 0 GCADHM NC(=O)N1CC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000737758912 598911984 /nfs/dbraw/zinc/91/19/84/598911984.db2.gz OERBRVPSCVUAOI-ZDUSSCGKSA-N -1 3 394.395 0.937 20 0 GCADHM NC(=O)N1CC[C@H](NC(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000737758912 598911986 /nfs/dbraw/zinc/91/19/86/598911986.db2.gz OERBRVPSCVUAOI-ZDUSSCGKSA-N -1 3 394.395 0.937 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736912082 598912787 /nfs/dbraw/zinc/91/27/87/598912787.db2.gz PDTWVQXJCUTRPY-LLVKDONJSA-N -1 3 377.426 0.753 20 0 GCADHM COC(=O)C[C@@H]1CSCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736912082 598912789 /nfs/dbraw/zinc/91/27/89/598912789.db2.gz PDTWVQXJCUTRPY-LLVKDONJSA-N -1 3 377.426 0.753 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000736140794 598920332 /nfs/dbraw/zinc/92/03/32/598920332.db2.gz CHBRXUMMSRBTPV-GOSISDBHSA-N -1 3 382.428 0.881 20 0 GCADHM C[C@@](O)(CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000736140794 598920333 /nfs/dbraw/zinc/92/03/33/598920333.db2.gz CHBRXUMMSRBTPV-GOSISDBHSA-N -1 3 382.428 0.881 20 0 GCADHM O=C(NCCOc1cccnc1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738086145 598920707 /nfs/dbraw/zinc/92/07/07/598920707.db2.gz UEDLUNDLEOQWGG-UHFFFAOYSA-N -1 3 395.427 0.567 20 0 GCADHM O=C(NCCOc1cccnc1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738086145 598920708 /nfs/dbraw/zinc/92/07/08/598920708.db2.gz UEDLUNDLEOQWGG-UHFFFAOYSA-N -1 3 395.427 0.567 20 0 GCADHM Cc1nc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737479550 598922357 /nfs/dbraw/zinc/92/23/57/598922357.db2.gz BUJDIKXDRCVOSG-ABAIWWIYSA-N -1 3 398.427 0.700 20 0 GCADHM Cc1nc(NC(=O)CCc2cnn(C)c2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737481583 598923074 /nfs/dbraw/zinc/92/30/74/598923074.db2.gz ZYEZDGLQIYZJPJ-UHFFFAOYSA-N -1 3 378.400 0.483 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737764212 598926446 /nfs/dbraw/zinc/92/64/46/598926446.db2.gz HSKXNRKQECRIQS-GFCCVEGCSA-N -1 3 382.471 0.238 20 0 GCADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764212 598926447 /nfs/dbraw/zinc/92/64/47/598926447.db2.gz HSKXNRKQECRIQS-GFCCVEGCSA-N -1 3 382.471 0.238 20 0 GCADHM COC(=O)CCN(C[C@H]1CCCO1)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000736912770 598929552 /nfs/dbraw/zinc/92/95/52/598929552.db2.gz HJMIMUMDHGGDOF-OAHLLOKOSA-N -1 3 389.412 0.816 20 0 GCADHM COC(=O)CCN(C[C@H]1CCCO1)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000736912770 598929554 /nfs/dbraw/zinc/92/95/54/598929554.db2.gz HJMIMUMDHGGDOF-OAHLLOKOSA-N -1 3 389.412 0.816 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000736590526 598929726 /nfs/dbraw/zinc/92/97/26/598929726.db2.gz IWKWRSUVQCJJDT-LBPRGKRZSA-N -1 3 389.412 0.551 20 0 GCADHM CCOC(=O)C1(O)CCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000736590526 598929728 /nfs/dbraw/zinc/92/97/28/598929728.db2.gz IWKWRSUVQCJJDT-LBPRGKRZSA-N -1 3 389.412 0.551 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(CCn2cncn2)CC1 ZINC000736167749 598930497 /nfs/dbraw/zinc/93/04/97/598930497.db2.gz GGXOQPYLUNOMIE-CQSZACIVSA-N -1 3 397.443 0.070 20 0 GCADHM O=C(NC1=NCC(=O)N1)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000738306440 598934402 /nfs/dbraw/zinc/93/44/02/598934402.db2.gz HURBEMMSXOQMLR-UHFFFAOYSA-N -1 3 377.364 0.661 20 0 GCADHM O=C(NC1=NCC(=O)N1)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000738306440 598934404 /nfs/dbraw/zinc/93/44/04/598934404.db2.gz HURBEMMSXOQMLR-UHFFFAOYSA-N -1 3 377.364 0.661 20 0 GCADHM NS(=O)(=O)C1CCN(c2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)CC1 ZINC000737763311 598941788 /nfs/dbraw/zinc/94/17/88/598941788.db2.gz BCVNWWCDQYKLNX-UHFFFAOYSA-N -1 3 395.395 0.950 20 0 GCADHM NS(=O)(=O)C1CCN(c2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)CC1 ZINC000737763311 598941789 /nfs/dbraw/zinc/94/17/89/598941789.db2.gz BCVNWWCDQYKLNX-UHFFFAOYSA-N -1 3 395.395 0.950 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737162811 598943961 /nfs/dbraw/zinc/94/39/61/598943961.db2.gz RVDRXYKPQPEVHW-TZMCWYRMSA-N -1 3 379.442 0.718 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736513277 598948424 /nfs/dbraw/zinc/94/84/24/598948424.db2.gz XDDUIHHRFOIAGQ-LBPRGKRZSA-N -1 3 385.471 0.373 20 0 GCADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736513277 598948425 /nfs/dbraw/zinc/94/84/25/598948425.db2.gz XDDUIHHRFOIAGQ-LBPRGKRZSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000737297333 598949923 /nfs/dbraw/zinc/94/99/23/598949923.db2.gz VPKNNRITVKFZSR-ZDUSSCGKSA-N -1 3 397.482 0.515 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000737297333 598949926 /nfs/dbraw/zinc/94/99/26/598949926.db2.gz VPKNNRITVKFZSR-ZDUSSCGKSA-N -1 3 397.482 0.515 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000737296723 598950188 /nfs/dbraw/zinc/95/01/88/598950188.db2.gz NBHUBKPVHBWTPA-CYBMUJFWSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000737296723 598950190 /nfs/dbraw/zinc/95/01/90/598950190.db2.gz NBHUBKPVHBWTPA-CYBMUJFWSA-N -1 3 376.442 0.607 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000737299020 598951552 /nfs/dbraw/zinc/95/15/52/598951552.db2.gz VLEIMOQMDLQFCJ-HNNXBMFYSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000737299020 598951554 /nfs/dbraw/zinc/95/15/54/598951554.db2.gz VLEIMOQMDLQFCJ-HNNXBMFYSA-N -1 3 394.501 0.810 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000735458943 598954378 /nfs/dbraw/zinc/95/43/78/598954378.db2.gz SSKCOEDZNAAVSK-UHFFFAOYSA-N -1 3 378.458 0.807 20 0 GCADHM CC(=O)N(C)C1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000735458943 598954379 /nfs/dbraw/zinc/95/43/79/598954379.db2.gz SSKCOEDZNAAVSK-UHFFFAOYSA-N -1 3 378.458 0.807 20 0 GCADHM COCCN1CCC[C@@H](NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000737005939 598955621 /nfs/dbraw/zinc/95/56/21/598955621.db2.gz DCAUPMSKGUGEMJ-CQSZACIVSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1nnc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)s1 ZINC000737521614 598956331 /nfs/dbraw/zinc/95/63/31/598956331.db2.gz PZWIQZUYJRMSEH-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1nnc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)s1 ZINC000737521614 598956332 /nfs/dbraw/zinc/95/63/32/598956332.db2.gz PZWIQZUYJRMSEH-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nnn[n-]1)c1c[nH]c2ncccc12 ZINC000738340217 598954325 /nfs/dbraw/zinc/95/43/25/598954325.db2.gz XMXMICMCLZXOEG-UHFFFAOYSA-N -1 3 385.413 0.528 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nn[n-]n1)c1c[nH]c2ncccc12 ZINC000738340217 598954326 /nfs/dbraw/zinc/95/43/26/598954326.db2.gz XMXMICMCLZXOEG-UHFFFAOYSA-N -1 3 385.413 0.528 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000737297380 598958513 /nfs/dbraw/zinc/95/85/13/598958513.db2.gz XBBKYOWFXYNHNB-QWRGUYRKSA-N -1 3 387.487 0.617 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000737297380 598958515 /nfs/dbraw/zinc/95/85/15/598958515.db2.gz XBBKYOWFXYNHNB-QWRGUYRKSA-N -1 3 387.487 0.617 20 0 GCADHM CCNC(=O)COc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1 ZINC000736575524 598962575 /nfs/dbraw/zinc/96/25/75/598962575.db2.gz GZXCBTGURLAHHR-LBPRGKRZSA-N -1 3 397.443 0.732 20 0 GCADHM CCNC(=O)COc1ccc(NC[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736575524 598962576 /nfs/dbraw/zinc/96/25/76/598962576.db2.gz GZXCBTGURLAHHR-LBPRGKRZSA-N -1 3 397.443 0.732 20 0 GCADHM C[C@H](O)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000736141707 598967914 /nfs/dbraw/zinc/96/79/14/598967914.db2.gz AUOQOJNRLVABMU-NSHDSACASA-N -1 3 397.395 0.880 20 0 GCADHM C[C@H](O)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000736141707 598967915 /nfs/dbraw/zinc/96/79/15/598967915.db2.gz AUOQOJNRLVABMU-NSHDSACASA-N -1 3 397.395 0.880 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1=O ZINC000735873910 598967917 /nfs/dbraw/zinc/96/79/17/598967917.db2.gz BRHSIYYPOIYISX-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM CC(C)N1CC[C@@H](NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1=O ZINC000735873910 598967918 /nfs/dbraw/zinc/96/79/18/598967918.db2.gz BRHSIYYPOIYISX-CQSZACIVSA-N -1 3 399.459 0.103 20 0 GCADHM CNC(=O)COc1ccc(OC(=O)COc2ccccc2-c2nnn[n-]2)cc1 ZINC000736872818 598968579 /nfs/dbraw/zinc/96/85/79/598968579.db2.gz BBOPEMRTABUEIK-UHFFFAOYSA-N -1 3 383.364 0.976 20 0 GCADHM CNC(=O)COc1ccc(OC(=O)COc2ccccc2-c2nn[n-]n2)cc1 ZINC000736872818 598968581 /nfs/dbraw/zinc/96/85/81/598968581.db2.gz BBOPEMRTABUEIK-UHFFFAOYSA-N -1 3 383.364 0.976 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000736706644 598971764 /nfs/dbraw/zinc/97/17/64/598971764.db2.gz UVBOKUMRUHOVOX-VIFPVBQESA-N -1 3 392.420 0.453 20 0 GCADHM CCc1nc2n(n1)C[C@@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000736706644 598971766 /nfs/dbraw/zinc/97/17/66/598971766.db2.gz UVBOKUMRUHOVOX-VIFPVBQESA-N -1 3 392.420 0.453 20 0 GCADHM O=S(=O)(NC1CCN(C[C@@H]2CCCO2)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738344749 598973126 /nfs/dbraw/zinc/97/31/26/598973126.db2.gz ZSHKGYUFZXPDIO-ZDUSSCGKSA-N -1 3 393.473 0.183 20 0 GCADHM CCN(CCOc1ccc(-c2nn[n-]n2)cc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000736536069 598980632 /nfs/dbraw/zinc/98/06/32/598980632.db2.gz AWEKKVKDRSVLOZ-CYBMUJFWSA-N -1 3 381.458 0.763 20 0 GCADHM O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738052676 598982462 /nfs/dbraw/zinc/98/24/62/598982462.db2.gz VITFWXWCQVDULL-MRXNPFEDSA-N -1 3 379.424 0.893 20 0 GCADHM CCN(C(=O)CNc1cccc(-c2nnn[n-]2)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000821153836 607256353 /nfs/dbraw/zinc/25/63/53/607256353.db2.gz DYQIEMYGFXHDAR-GFCCVEGCSA-N -1 3 378.458 0.623 20 0 GCADHM CCN(C(=O)CNc1cccc(-c2nn[n-]n2)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000821153836 607256354 /nfs/dbraw/zinc/25/63/54/607256354.db2.gz DYQIEMYGFXHDAR-GFCCVEGCSA-N -1 3 378.458 0.623 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(c2cnccn2)CC1 ZINC000737031345 598982672 /nfs/dbraw/zinc/98/26/72/598982672.db2.gz GQIDCFZJPLNPOY-UHFFFAOYSA-N -1 3 382.428 0.866 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000737033787 598986715 /nfs/dbraw/zinc/98/67/15/598986715.db2.gz YYDNGURKYBOPPO-AWEZNQCLSA-N -1 3 393.469 0.906 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000737033787 598986717 /nfs/dbraw/zinc/98/67/17/598986717.db2.gz YYDNGURKYBOPPO-AWEZNQCLSA-N -1 3 393.469 0.906 20 0 GCADHM CS(=O)(=O)CCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000737161694 598995306 /nfs/dbraw/zinc/99/53/06/598995306.db2.gz CIQGBRAXYVLUOZ-UHFFFAOYSA-N -1 3 380.835 0.663 20 0 GCADHM CS(=O)(=O)CCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1Cl ZINC000737161694 598995309 /nfs/dbraw/zinc/99/53/09/598995309.db2.gz CIQGBRAXYVLUOZ-UHFFFAOYSA-N -1 3 380.835 0.663 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N(C)C[C@@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000737549673 598995344 /nfs/dbraw/zinc/99/53/44/598995344.db2.gz WOCHXJCFRHLVMA-PWSUYJOCSA-N -1 3 396.473 0.770 20 0 GCADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736510941 598995720 /nfs/dbraw/zinc/99/57/20/598995720.db2.gz AGRQMROVZQSJKG-GFCCVEGCSA-N -1 3 385.471 0.373 20 0 GCADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736510941 598995721 /nfs/dbraw/zinc/99/57/21/598995721.db2.gz AGRQMROVZQSJKG-GFCCVEGCSA-N -1 3 385.471 0.373 20 0 GCADHM NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737743777 598995798 /nfs/dbraw/zinc/99/57/98/598995798.db2.gz JVQXNBCEFMBDJL-MRXNPFEDSA-N -1 3 392.423 0.964 20 0 GCADHM NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737743777 598995799 /nfs/dbraw/zinc/99/57/99/598995799.db2.gz JVQXNBCEFMBDJL-MRXNPFEDSA-N -1 3 392.423 0.964 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000737223386 598996017 /nfs/dbraw/zinc/99/60/17/598996017.db2.gz GUAJVVAQXQMFRB-HNNXBMFYSA-N -1 3 398.448 0.776 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000737223386 598996020 /nfs/dbraw/zinc/99/60/20/598996020.db2.gz GUAJVVAQXQMFRB-HNNXBMFYSA-N -1 3 398.448 0.776 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000737222338 598997121 /nfs/dbraw/zinc/99/71/21/598997121.db2.gz XVSDVZLLVYRAAA-ZDUSSCGKSA-N -1 3 397.482 0.515 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000737222338 598997123 /nfs/dbraw/zinc/99/71/23/598997123.db2.gz XVSDVZLLVYRAAA-ZDUSSCGKSA-N -1 3 397.482 0.515 20 0 GCADHM CN1CCN(C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)c2ccccc2)CC1 ZINC000736862569 599001447 /nfs/dbraw/zinc/00/14/47/599001447.db2.gz DYHNVOPAESJCSD-SFHVURJKSA-N -1 3 392.467 0.980 20 0 GCADHM CS(=O)(=O)CCCS(=O)(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737162046 599002290 /nfs/dbraw/zinc/00/22/90/599002290.db2.gz HYDPAQRTMCLTEO-UHFFFAOYSA-N -1 3 399.498 0.596 20 0 GCADHM CS(=O)(=O)CCCS(=O)(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737162046 599002292 /nfs/dbraw/zinc/00/22/92/599002292.db2.gz HYDPAQRTMCLTEO-UHFFFAOYSA-N -1 3 399.498 0.596 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCCN1CCCCC1=O ZINC000737223182 599003686 /nfs/dbraw/zinc/00/36/86/599003686.db2.gz BQKSMHINDAZSRB-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCCN1CCCCC1=O ZINC000737223182 599003688 /nfs/dbraw/zinc/00/36/88/599003688.db2.gz BQKSMHINDAZSRB-UHFFFAOYSA-N -1 3 378.458 0.856 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCN1CCOCC1(C)C ZINC000737224610 599004280 /nfs/dbraw/zinc/00/42/80/599004280.db2.gz YBONGNPKBHSQKX-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCN1CCOCC1(C)C ZINC000737224610 599004282 /nfs/dbraw/zinc/00/42/82/599004282.db2.gz YBONGNPKBHSQKX-UHFFFAOYSA-N -1 3 380.474 0.564 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000737222024 599005236 /nfs/dbraw/zinc/00/52/36/599005236.db2.gz SSLSGYJWRPGKLS-CQSZACIVSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000737222024 599005238 /nfs/dbraw/zinc/00/52/38/599005238.db2.gz SSLSGYJWRPGKLS-CQSZACIVSA-N -1 3 390.469 0.951 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000737224388 599005716 /nfs/dbraw/zinc/00/57/16/599005716.db2.gz SYFILXPNPVNPNW-CQSZACIVSA-N -1 3 389.441 0.461 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000737224388 599005718 /nfs/dbraw/zinc/00/57/18/599005718.db2.gz SYFILXPNPVNPNW-CQSZACIVSA-N -1 3 389.441 0.461 20 0 GCADHM CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736790501 599008887 /nfs/dbraw/zinc/00/88/87/599008887.db2.gz ICIQIFMCSCJVSP-SECBINFHSA-N -1 3 389.434 0.061 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000737295979 599010056 /nfs/dbraw/zinc/01/00/56/599010056.db2.gz DBLCZICSPBGCAR-LLVKDONJSA-N -1 3 385.471 0.230 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000737295979 599010057 /nfs/dbraw/zinc/01/00/57/599010057.db2.gz DBLCZICSPBGCAR-LLVKDONJSA-N -1 3 385.471 0.230 20 0 GCADHM Cn1cc([C@H]2[C@@H](C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CCC(=O)N2C)cn1 ZINC000265214191 599014803 /nfs/dbraw/zinc/01/48/03/599014803.db2.gz BNMCOMLAAQLHIB-RDJZCZTQSA-N -1 3 394.439 0.826 20 0 GCADHM Cn1cc([C@H]2[C@@H](C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CCC(=O)N2C)cn1 ZINC000265214191 599014805 /nfs/dbraw/zinc/01/48/05/599014805.db2.gz BNMCOMLAAQLHIB-RDJZCZTQSA-N -1 3 394.439 0.826 20 0 GCADHM CC(C)(C)N1C[C@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000735617822 599014867 /nfs/dbraw/zinc/01/48/67/599014867.db2.gz ARRZPPWCZKVCMN-TZMCWYRMSA-N -1 3 386.412 0.583 20 0 GCADHM CC(C)(C)N1C[C@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000735617822 599014869 /nfs/dbraw/zinc/01/48/69/599014869.db2.gz ARRZPPWCZKVCMN-TZMCWYRMSA-N -1 3 386.412 0.583 20 0 GCADHM CC(C)CCn1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000735819120 599016442 /nfs/dbraw/zinc/01/64/42/599016442.db2.gz SWMMUKVDQYSHRB-CQSZACIVSA-N -1 3 384.400 0.888 20 0 GCADHM CC(C)CCn1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000735819120 599016443 /nfs/dbraw/zinc/01/64/43/599016443.db2.gz SWMMUKVDQYSHRB-CQSZACIVSA-N -1 3 384.400 0.888 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000736770331 599018676 /nfs/dbraw/zinc/01/86/76/599018676.db2.gz KFTULXHOAUDVIS-UHFFFAOYSA-N -1 3 399.436 0.715 20 0 GCADHM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000736770331 599018677 /nfs/dbraw/zinc/01/86/77/599018677.db2.gz KFTULXHOAUDVIS-UHFFFAOYSA-N -1 3 399.436 0.715 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(C(=O)NCc1cccc(-c3nnn[n-]3)c1)C2 ZINC000736772505 599022375 /nfs/dbraw/zinc/02/23/75/599022375.db2.gz DVZNPXQNTUPNJQ-UHFFFAOYSA-N -1 3 379.428 0.991 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(C(=O)NCc1cccc(-c3nn[n-]n3)c1)C2 ZINC000736772505 599022376 /nfs/dbraw/zinc/02/23/76/599022376.db2.gz DVZNPXQNTUPNJQ-UHFFFAOYSA-N -1 3 379.428 0.991 20 0 GCADHM CC(C)[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735734915 599022931 /nfs/dbraw/zinc/02/29/31/599022931.db2.gz PTSHAVRLWWMEAX-SNVBAGLBSA-N -1 3 384.343 0.540 20 0 GCADHM CC(C)[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735734915 599022934 /nfs/dbraw/zinc/02/29/34/599022934.db2.gz PTSHAVRLWWMEAX-SNVBAGLBSA-N -1 3 384.343 0.540 20 0 GCADHM C[C@@H](CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C[C@H](C)O ZINC000736144102 599023885 /nfs/dbraw/zinc/02/38/85/599023885.db2.gz NHYJHMFREWPHHF-OLZOCXBDSA-N -1 3 388.476 0.937 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCS(=O)(=O)c1nncn1C1CC1 ZINC000737032036 599024188 /nfs/dbraw/zinc/02/41/88/599024188.db2.gz HAFBDFGGCHGZBH-UHFFFAOYSA-N -1 3 391.413 0.654 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCS(=O)(=O)c1nncn1C1CC1 ZINC000737032036 599024190 /nfs/dbraw/zinc/02/41/90/599024190.db2.gz HAFBDFGGCHGZBH-UHFFFAOYSA-N -1 3 391.413 0.654 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737162340 599025332 /nfs/dbraw/zinc/02/53/32/599025332.db2.gz PCUCLPMNFWPQOM-STQMWFEESA-N -1 3 392.441 0.277 20 0 GCADHM CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737162340 599025334 /nfs/dbraw/zinc/02/53/34/599025334.db2.gz PCUCLPMNFWPQOM-STQMWFEESA-N -1 3 392.441 0.277 20 0 GCADHM CCOC(=O)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCC1 ZINC000736590986 599025643 /nfs/dbraw/zinc/02/56/43/599025643.db2.gz NTKFNNIKKZBHND-UHFFFAOYSA-N -1 3 390.375 0.794 20 0 GCADHM CCOC(=O)C1(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCC1 ZINC000736590986 599025644 /nfs/dbraw/zinc/02/56/44/599025644.db2.gz NTKFNNIKKZBHND-UHFFFAOYSA-N -1 3 390.375 0.794 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000736634818 599025773 /nfs/dbraw/zinc/02/57/73/599025773.db2.gz JKQBBRSATRUPOD-JSGCOSHPSA-N -1 3 388.428 0.871 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000736634818 599025775 /nfs/dbraw/zinc/02/57/75/599025775.db2.gz JKQBBRSATRUPOD-JSGCOSHPSA-N -1 3 388.428 0.871 20 0 GCADHM O=C(NC[C@@H](O)c1c(F)cccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738037387 599026249 /nfs/dbraw/zinc/02/62/49/599026249.db2.gz HCELZSXIUMXDPW-CYBMUJFWSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@@H](O)c1c(F)cccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738037387 599026250 /nfs/dbraw/zinc/02/62/50/599026250.db2.gz HCELZSXIUMXDPW-CYBMUJFWSA-N -1 3 388.334 0.933 20 0 GCADHM C[C@@H](CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C[C@H](C)O ZINC000736144102 599023883 /nfs/dbraw/zinc/02/38/83/599023883.db2.gz NHYJHMFREWPHHF-OLZOCXBDSA-N -1 3 388.476 0.937 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000736168483 599029212 /nfs/dbraw/zinc/02/92/12/599029212.db2.gz HWGQLAGNLBVHGO-CEXHIMGSSA-N -1 3 392.485 0.157 20 0 GCADHM O=C(CN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1)N1CCCC1 ZINC000737871871 599033966 /nfs/dbraw/zinc/03/39/66/599033966.db2.gz CDKUPNHZZQTMCW-UHFFFAOYSA-N -1 3 384.444 0.032 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736592265 599040895 /nfs/dbraw/zinc/04/08/95/599040895.db2.gz BRSLHJUMLAOARB-BXUZGUMPSA-N -1 3 375.385 0.425 20 0 GCADHM CC(C)(C)OC(=O)CSCC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735623001 599041399 /nfs/dbraw/zinc/04/13/99/599041399.db2.gz DFPSNNTZASGVPY-UHFFFAOYSA-N -1 3 393.473 0.865 20 0 GCADHM CC(C)(C)OC(=O)CSCC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735623001 599041402 /nfs/dbraw/zinc/04/14/02/599041402.db2.gz DFPSNNTZASGVPY-UHFFFAOYSA-N -1 3 393.473 0.865 20 0 GCADHM CCOC(=O)[C@H]1CN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)CCO1 ZINC000736594913 599044261 /nfs/dbraw/zinc/04/42/61/599044261.db2.gz UEYIZYODPNBPDW-MRXNPFEDSA-N -1 3 383.412 0.952 20 0 GCADHM CCOC(=O)[C@H]1CN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)CCO1 ZINC000736594913 599044264 /nfs/dbraw/zinc/04/42/64/599044264.db2.gz UEYIZYODPNBPDW-MRXNPFEDSA-N -1 3 383.412 0.952 20 0 GCADHM CCOC(=O)[C@H]1CN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736593407 599047248 /nfs/dbraw/zinc/04/72/48/599047248.db2.gz HJXYBNHWCRKGQU-ZIAGYGMSSA-N -1 3 375.385 0.345 20 0 GCADHM CCOC(=O)[C@H]1CN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736593407 599047249 /nfs/dbraw/zinc/04/72/49/599047249.db2.gz HJXYBNHWCRKGQU-ZIAGYGMSSA-N -1 3 375.385 0.345 20 0 GCADHM CCOC(=O)[C@@H]1CN(CCOc2ccc(-c3nnn[n-]3)cc2OC)CCO1 ZINC000736594548 599047416 /nfs/dbraw/zinc/04/74/16/599047416.db2.gz SJGHPMUCISSWHO-HNNXBMFYSA-N -1 3 377.401 0.518 20 0 GCADHM CCOC(=O)[C@@H]1CN(CCOc2ccc(-c3nn[n-]n3)cc2OC)CCO1 ZINC000736594548 599047419 /nfs/dbraw/zinc/04/74/19/599047419.db2.gz SJGHPMUCISSWHO-HNNXBMFYSA-N -1 3 377.401 0.518 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736593399 599047985 /nfs/dbraw/zinc/04/79/85/599047985.db2.gz HJXYBNHWCRKGQU-KBPBESRZSA-N -1 3 375.385 0.345 20 0 GCADHM CCOC(=O)[C@@H]1CN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736593399 599047987 /nfs/dbraw/zinc/04/79/87/599047987.db2.gz HJXYBNHWCRKGQU-KBPBESRZSA-N -1 3 375.385 0.345 20 0 GCADHM CCOC(=O)[C@H]1CN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCO1 ZINC000736595010 599049325 /nfs/dbraw/zinc/04/93/25/599049325.db2.gz UNJOYHBXWMSISG-ZYHUDNBSSA-N -1 3 392.416 0.667 20 0 GCADHM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000736594102 599050781 /nfs/dbraw/zinc/05/07/81/599050781.db2.gz NMKFZNKIOWKAFW-LBPRGKRZSA-N -1 3 381.414 0.128 20 0 GCADHM CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000736594102 599050784 /nfs/dbraw/zinc/05/07/84/599050784.db2.gz NMKFZNKIOWKAFW-LBPRGKRZSA-N -1 3 381.414 0.128 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)[C@@H]2CCO[C@@H]21 ZINC000736208580 599054208 /nfs/dbraw/zinc/05/42/08/599054208.db2.gz YVPFPTAUKNLKJQ-CFVMTHIKSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)[C@@H]2CCO[C@@H]21 ZINC000736208580 599054211 /nfs/dbraw/zinc/05/42/11/599054211.db2.gz YVPFPTAUKNLKJQ-CFVMTHIKSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)[C@H]2CCO[C@@H]21 ZINC000736207346 599054702 /nfs/dbraw/zinc/05/47/02/599054702.db2.gz RIHWUECJMWCEHS-BMFZPTHFSA-N -1 3 398.471 0.907 20 0 GCADHM CC1(C)[C@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)[C@H]2CCO[C@@H]21 ZINC000736207346 599054705 /nfs/dbraw/zinc/05/47/05/599054705.db2.gz RIHWUECJMWCEHS-BMFZPTHFSA-N -1 3 398.471 0.907 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCCOc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736966004 599058709 /nfs/dbraw/zinc/05/87/09/599058709.db2.gz JLACLSRDOCGAKE-HNNXBMFYSA-N -1 3 377.401 0.576 20 0 GCADHM COCC(=O)N[C@H](C(=O)OCCOc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736966004 599058712 /nfs/dbraw/zinc/05/87/12/599058712.db2.gz JLACLSRDOCGAKE-HNNXBMFYSA-N -1 3 377.401 0.576 20 0 GCADHM CCCNC(=O)c1cccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000736488758 599060361 /nfs/dbraw/zinc/06/03/61/599060361.db2.gz SHMZHFVZODPVHZ-UHFFFAOYSA-N -1 3 384.400 0.642 20 0 GCADHM CCCNC(=O)c1cccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000736488758 599060364 /nfs/dbraw/zinc/06/03/64/599060364.db2.gz SHMZHFVZODPVHZ-UHFFFAOYSA-N -1 3 384.400 0.642 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000736594284 599060659 /nfs/dbraw/zinc/06/06/59/599060659.db2.gz QDFNBFDTFOFFJO-ZDUSSCGKSA-N -1 3 378.364 0.479 20 0 GCADHM CCOC(=O)[C@@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000736594284 599060662 /nfs/dbraw/zinc/06/06/62/599060662.db2.gz QDFNBFDTFOFFJO-ZDUSSCGKSA-N -1 3 378.364 0.479 20 0 GCADHM CC(C)(C)OC(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735633111 599067540 /nfs/dbraw/zinc/06/75/40/599067540.db2.gz MIDVMPRQIDJUJO-AWEZNQCLSA-N -1 3 387.444 0.946 20 0 GCADHM CC(C)(C)OC(=O)N1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735633111 599067542 /nfs/dbraw/zinc/06/75/42/599067542.db2.gz MIDVMPRQIDJUJO-AWEZNQCLSA-N -1 3 387.444 0.946 20 0 GCADHM 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ZINC000737737787 599070859 /nfs/dbraw/zinc/07/08/59/599070859.db2.gz FOYFILKPNDTHCW-OAHLLOKOSA-N -1 3 384.469 0.667 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cscn2)CC1 ZINC000737737787 599070862 /nfs/dbraw/zinc/07/08/62/599070862.db2.gz FOYFILKPNDTHCW-OAHLLOKOSA-N -1 3 384.469 0.667 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cscn2)CC1 ZINC000737737785 599070928 /nfs/dbraw/zinc/07/09/28/599070928.db2.gz FOYFILKPNDTHCW-HNNXBMFYSA-N -1 3 384.469 0.667 20 0 GCADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cscn2)CC1 ZINC000737737785 599070931 /nfs/dbraw/zinc/07/09/31/599070931.db2.gz FOYFILKPNDTHCW-HNNXBMFYSA-N -1 3 384.469 0.667 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nnn[n-]2)c1NC(=O)CN(C)CC(=O)OC ZINC000736987081 599071572 /nfs/dbraw/zinc/07/15/72/599071572.db2.gz CCWWTBREIMCVKV-UHFFFAOYSA-N -1 3 393.448 0.365 20 0 GCADHM COCCCn1c(C)c(C)c(-c2nn[n-]n2)c1NC(=O)CN(C)CC(=O)OC ZINC000736987081 599071575 /nfs/dbraw/zinc/07/15/75/599071575.db2.gz CCWWTBREIMCVKV-UHFFFAOYSA-N -1 3 393.448 0.365 20 0 GCADHM CN(c1cccnn1)C1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736844802 599074801 /nfs/dbraw/zinc/07/48/01/599074801.db2.gz XZZOTQVGVAMHNG-QGZVFWFLSA-N -1 3 393.455 0.784 20 0 GCADHM CCN1CCN(C2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)C1=O ZINC000736569005 599074938 /nfs/dbraw/zinc/07/49/38/599074938.db2.gz HDJWKQUZXDMCJJ-INIZCTEOSA-N -1 3 398.471 0.615 20 0 GCADHM CN([C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736778261 599077900 /nfs/dbraw/zinc/07/79/00/599077900.db2.gz BQNIDCCVEIKAKM-RYUDHWBXSA-N -1 3 397.361 0.488 20 0 GCADHM CN([C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736778261 599077903 /nfs/dbraw/zinc/07/79/03/599077903.db2.gz BQNIDCCVEIKAKM-RYUDHWBXSA-N -1 3 397.361 0.488 20 0 GCADHM COCCOC[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821691757 599085556 /nfs/dbraw/zinc/08/55/56/599085556.db2.gz CMEIFQRTTBDHTM-NSHDSACASA-N -1 3 382.446 0.003 20 0 GCADHM COCCOC[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821691757 599085559 /nfs/dbraw/zinc/08/55/59/599085559.db2.gz CMEIFQRTTBDHTM-NSHDSACASA-N -1 3 382.446 0.003 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)CCc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737612067 599087392 /nfs/dbraw/zinc/08/73/92/599087392.db2.gz WRKZRESNMZGYJQ-MRXNPFEDSA-N -1 3 394.439 0.845 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)CCc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737612067 599087394 /nfs/dbraw/zinc/08/73/94/599087394.db2.gz WRKZRESNMZGYJQ-MRXNPFEDSA-N -1 3 394.439 0.845 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609059 599088164 /nfs/dbraw/zinc/08/81/64/599088164.db2.gz AFVBQEFTQSSZPO-ROJDOSBLSA-N -1 3 392.423 0.925 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609059 599088166 /nfs/dbraw/zinc/08/81/66/599088166.db2.gz AFVBQEFTQSSZPO-ROJDOSBLSA-N -1 3 392.423 0.925 20 0 GCADHM Cc1ccc(C(=O)NCCN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737313186 599088974 /nfs/dbraw/zinc/08/89/74/599088974.db2.gz QXMKTAQWEABRKY-MRXNPFEDSA-N -1 3 397.414 0.860 20 0 GCADHM COCC(=O)Nc1cccc(CN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736966180 599089594 /nfs/dbraw/zinc/08/95/94/599089594.db2.gz MOMHEHLNMUOZER-KRWDZBQOSA-N -1 3 395.423 0.768 20 0 GCADHM COCC(=O)Nc1cccc(CN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736966180 599089597 /nfs/dbraw/zinc/08/95/97/599089597.db2.gz MOMHEHLNMUOZER-KRWDZBQOSA-N -1 3 395.423 0.768 20 0 GCADHM CS(=O)(=O)CCOCCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000737162924 599091150 /nfs/dbraw/zinc/09/11/50/599091150.db2.gz PMBBQOFTMOHTJB-UHFFFAOYSA-N -1 3 399.498 0.277 20 0 GCADHM CS(=O)(=O)CCOCCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000737162924 599091153 /nfs/dbraw/zinc/09/11/53/599091153.db2.gz PMBBQOFTMOHTJB-UHFFFAOYSA-N -1 3 399.498 0.277 20 0 GCADHM NC(=O)[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737732258 599098398 /nfs/dbraw/zinc/09/83/98/599098398.db2.gz XLMHFSGMKBQIGY-HZPDHXFCSA-N -1 3 377.408 0.788 20 0 GCADHM NC(=O)[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737732258 599098401 /nfs/dbraw/zinc/09/84/01/599098401.db2.gz XLMHFSGMKBQIGY-HZPDHXFCSA-N -1 3 377.408 0.788 20 0 GCADHM CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735628497 599098586 /nfs/dbraw/zinc/09/85/86/599098586.db2.gz VHBFNDSNPKVMJR-ZIAGYGMSSA-N -1 3 387.444 0.992 20 0 GCADHM NC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737732154 599100358 /nfs/dbraw/zinc/10/03/58/599100358.db2.gz WRJFTOPYOIOLLM-MNOVXSKESA-N -1 3 383.334 0.146 20 0 GCADHM NC(=O)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737732154 599100359 /nfs/dbraw/zinc/10/03/59/599100359.db2.gz WRJFTOPYOIOLLM-MNOVXSKESA-N -1 3 383.334 0.146 20 0 GCADHM NC(=O)[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737732162 599100654 /nfs/dbraw/zinc/10/06/54/599100654.db2.gz WRJFTOPYOIOLLM-WDEREUQCSA-N -1 3 383.334 0.146 20 0 GCADHM NC(=O)[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737732162 599100655 /nfs/dbraw/zinc/10/06/55/599100655.db2.gz WRJFTOPYOIOLLM-WDEREUQCSA-N -1 3 383.334 0.146 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737732160 599100703 /nfs/dbraw/zinc/10/07/03/599100703.db2.gz WRJFTOPYOIOLLM-QWRGUYRKSA-N -1 3 383.334 0.146 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737732160 599100705 /nfs/dbraw/zinc/10/07/05/599100705.db2.gz WRJFTOPYOIOLLM-QWRGUYRKSA-N -1 3 383.334 0.146 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729697 599100804 /nfs/dbraw/zinc/10/08/04/599100804.db2.gz BSBJNVAVEFYYIK-HOCLYGCPSA-N -1 3 395.398 0.927 20 0 GCADHM NC(=O)[C@@H](N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729697 599100806 /nfs/dbraw/zinc/10/08/06/599100806.db2.gz BSBJNVAVEFYYIK-HOCLYGCPSA-N -1 3 395.398 0.927 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737769918 599102361 /nfs/dbraw/zinc/10/23/61/599102361.db2.gz QXURFXYKWDTFCB-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737769918 599102364 /nfs/dbraw/zinc/10/23/64/599102364.db2.gz QXURFXYKWDTFCB-UHFFFAOYSA-N -1 3 391.388 0.975 20 0 GCADHM CS(=O)(=O)CCNc1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000821927481 599105192 /nfs/dbraw/zinc/10/51/92/599105192.db2.gz ZGMQJBYUBSAUFD-UHFFFAOYSA-N -1 3 384.368 0.895 20 0 GCADHM CS(=O)(=O)CCNc1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000821927481 599105195 /nfs/dbraw/zinc/10/51/95/599105195.db2.gz ZGMQJBYUBSAUFD-UHFFFAOYSA-N -1 3 384.368 0.895 20 0 GCADHM C[C@@H](Sc1ccccc1-c1nnn[n-]1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736194229 599109106 /nfs/dbraw/zinc/10/91/06/599109106.db2.gz YFRAQBSGCOOERO-GHMZBOCLSA-N -1 3 381.483 0.993 20 0 GCADHM C[C@@H](Sc1ccccc1-c1nn[n-]n1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000736194229 599109107 /nfs/dbraw/zinc/10/91/07/599109107.db2.gz YFRAQBSGCOOERO-GHMZBOCLSA-N -1 3 381.483 0.993 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738071 599114538 /nfs/dbraw/zinc/11/45/38/599114538.db2.gz CKCJFFLXRYSVEI-OAHLLOKOSA-N -1 3 394.347 0.581 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738071 599114541 /nfs/dbraw/zinc/11/45/41/599114541.db2.gz CKCJFFLXRYSVEI-OAHLLOKOSA-N -1 3 394.347 0.581 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cnn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737743990 599116621 /nfs/dbraw/zinc/11/66/21/599116621.db2.gz UASNPZZGNLALKY-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cnn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737743990 599116624 /nfs/dbraw/zinc/11/66/24/599116624.db2.gz UASNPZZGNLALKY-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)Nc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737755218 599116839 /nfs/dbraw/zinc/11/68/39/599116839.db2.gz LOKQNUNDAGOWLS-CYBMUJFWSA-N -1 3 381.352 0.741 20 0 GCADHM NC(=O)Nc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737755218 599116842 /nfs/dbraw/zinc/11/68/42/599116842.db2.gz LOKQNUNDAGOWLS-CYBMUJFWSA-N -1 3 381.352 0.741 20 0 GCADHM NC(=O)NCc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737754058 599116924 /nfs/dbraw/zinc/11/69/24/599116924.db2.gz BWEULCJSVCTTSL-CQSZACIVSA-N -1 3 395.379 0.418 20 0 GCADHM NC(=O)NCc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737754058 599116927 /nfs/dbraw/zinc/11/69/27/599116927.db2.gz BWEULCJSVCTTSL-CQSZACIVSA-N -1 3 395.379 0.418 20 0 GCADHM NC(=O)Nc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737755219 599117084 /nfs/dbraw/zinc/11/70/84/599117084.db2.gz LOKQNUNDAGOWLS-ZDUSSCGKSA-N -1 3 381.352 0.741 20 0 GCADHM NC(=O)Nc1ccc(C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737755219 599117086 /nfs/dbraw/zinc/11/70/86/599117086.db2.gz LOKQNUNDAGOWLS-ZDUSSCGKSA-N -1 3 381.352 0.741 20 0 GCADHM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736222899 599117168 /nfs/dbraw/zinc/11/71/68/599117168.db2.gz HGEKRAPXSKHIGM-MRVPVSSYSA-N -1 3 377.792 0.196 20 0 GCADHM C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736222899 599117171 /nfs/dbraw/zinc/11/71/71/599117171.db2.gz HGEKRAPXSKHIGM-MRVPVSSYSA-N -1 3 377.792 0.196 20 0 GCADHM COC(=O)CCc1nc(CS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)no1 ZINC000821661529 599118714 /nfs/dbraw/zinc/11/87/14/599118714.db2.gz NAEFLXFLGWZJFF-UHFFFAOYSA-N -1 3 396.360 0.468 20 0 GCADHM COC(=O)CCc1nc(CS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)no1 ZINC000821661529 599118717 /nfs/dbraw/zinc/11/87/17/599118717.db2.gz NAEFLXFLGWZJFF-UHFFFAOYSA-N -1 3 396.360 0.468 20 0 GCADHM CCOCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821378950 599119179 /nfs/dbraw/zinc/11/91/79/599119179.db2.gz XZCJFNRBENNKES-SNVBAGLBSA-N -1 3 385.421 0.711 20 0 GCADHM CCOCCCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821378950 599119180 /nfs/dbraw/zinc/11/91/80/599119180.db2.gz XZCJFNRBENNKES-SNVBAGLBSA-N -1 3 385.421 0.711 20 0 GCADHM CC(C)CS(=O)(=O)CC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735851146 599119750 /nfs/dbraw/zinc/11/97/50/599119750.db2.gz YCIYBCWNMZXPIV-ZDUSSCGKSA-N -1 3 381.414 0.007 20 0 GCADHM CC(C)CS(=O)(=O)CC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735851146 599119753 /nfs/dbraw/zinc/11/97/53/599119753.db2.gz YCIYBCWNMZXPIV-ZDUSSCGKSA-N -1 3 381.414 0.007 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cn(-c2ccccc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738072 599121499 /nfs/dbraw/zinc/12/14/99/599121499.db2.gz CLUMHMVCYAUPDR-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)c1cn(-c2ccccc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738072 599121501 /nfs/dbraw/zinc/12/15/01/599121501.db2.gz CLUMHMVCYAUPDR-HNNXBMFYSA-N -1 3 390.363 0.831 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737221 599121537 /nfs/dbraw/zinc/12/15/37/599121537.db2.gz PIJFZZGWACFGCT-GJZGRUSLSA-N -1 3 398.423 0.585 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737221 599121540 /nfs/dbraw/zinc/12/15/40/599121540.db2.gz PIJFZZGWACFGCT-GJZGRUSLSA-N -1 3 398.423 0.585 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737220 599121562 /nfs/dbraw/zinc/12/15/62/599121562.db2.gz PIJFZZGWACFGCT-CABCVRRESA-N -1 3 398.423 0.585 20 0 GCADHM NC(=O)[C@@H](OC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737220 599121565 /nfs/dbraw/zinc/12/15/65/599121565.db2.gz PIJFZZGWACFGCT-CABCVRRESA-N -1 3 398.423 0.585 20 0 GCADHM CCC(=O)N1CCC[C@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736306548 599122554 /nfs/dbraw/zinc/12/25/54/599122554.db2.gz ZEMRUGBNYXCGKE-ZFWWWQNUSA-N -1 3 386.412 0.585 20 0 GCADHM CCC(=O)N1CCC[C@H](C(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736306548 599122557 /nfs/dbraw/zinc/12/25/57/599122557.db2.gz ZEMRUGBNYXCGKE-ZFWWWQNUSA-N -1 3 386.412 0.585 20 0 GCADHM CCC(=O)N1CCC[C@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736306538 599122564 /nfs/dbraw/zinc/12/25/64/599122564.db2.gz ZEMRUGBNYXCGKE-DZGCQCFKSA-N -1 3 386.412 0.585 20 0 GCADHM CCC(=O)N1CCC[C@H](C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736306538 599122567 /nfs/dbraw/zinc/12/25/67/599122567.db2.gz ZEMRUGBNYXCGKE-DZGCQCFKSA-N -1 3 386.412 0.585 20 0 GCADHM CCc1noc(CCCC(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736714316 599123162 /nfs/dbraw/zinc/12/31/62/599123162.db2.gz XBJCJSVQIMJGOZ-HNNXBMFYSA-N -1 3 385.384 0.905 20 0 GCADHM CCc1noc(CCCC(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736714316 599123164 /nfs/dbraw/zinc/12/31/64/599123164.db2.gz XBJCJSVQIMJGOZ-HNNXBMFYSA-N -1 3 385.384 0.905 20 0 GCADHM Cc1sc(=O)n(CC(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737564741 599123363 /nfs/dbraw/zinc/12/33/63/599123363.db2.gz WZRGRLFQQFWJMK-ZDUSSCGKSA-N -1 3 388.409 0.477 20 0 GCADHM Cc1sc(=O)n(CC(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737564741 599123364 /nfs/dbraw/zinc/12/33/64/599123364.db2.gz WZRGRLFQQFWJMK-ZDUSSCGKSA-N -1 3 388.409 0.477 20 0 GCADHM NC(=O)CNc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737752438 599124293 /nfs/dbraw/zinc/12/42/93/599124293.db2.gz GLTBGRSJRRQDBH-OAHLLOKOSA-N -1 3 395.379 0.147 20 0 GCADHM NC(=O)CNc1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737752438 599124294 /nfs/dbraw/zinc/12/42/94/599124294.db2.gz GLTBGRSJRRQDBH-OAHLLOKOSA-N -1 3 395.379 0.147 20 0 GCADHM Cc1nsc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737547501 599124868 /nfs/dbraw/zinc/12/48/68/599124868.db2.gz JPJOZAUROPMUND-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM Cc1nsc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737547501 599124871 /nfs/dbraw/zinc/12/48/71/599124871.db2.gz JPJOZAUROPMUND-UHFFFAOYSA-N -1 3 392.470 0.538 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736114854 599125018 /nfs/dbraw/zinc/12/50/18/599125018.db2.gz CXNDJJIJSGBZGZ-CABZTGNLSA-N -1 3 390.400 0.850 20 0 GCADHM C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736114854 599125020 /nfs/dbraw/zinc/12/50/20/599125020.db2.gz CXNDJJIJSGBZGZ-CABZTGNLSA-N -1 3 390.400 0.850 20 0 GCADHM CN(C)C(=O)c1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736752761 599127350 /nfs/dbraw/zinc/12/73/50/599127350.db2.gz AZHICCSKLQWEPI-OAHLLOKOSA-N -1 3 394.391 0.952 20 0 GCADHM CN(C)C(=O)c1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736752761 599127353 /nfs/dbraw/zinc/12/73/53/599127353.db2.gz AZHICCSKLQWEPI-OAHLLOKOSA-N -1 3 394.391 0.952 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736877926 599127655 /nfs/dbraw/zinc/12/76/55/599127655.db2.gz QQLZTSFXQBEINA-CYBMUJFWSA-N -1 3 381.352 0.005 20 0 GCADHM CNC(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736877926 599127658 /nfs/dbraw/zinc/12/76/58/599127658.db2.gz QQLZTSFXQBEINA-CYBMUJFWSA-N -1 3 381.352 0.005 20 0 GCADHM NC(=O)[C@H](OC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737744020 599128110 /nfs/dbraw/zinc/12/81/10/599128110.db2.gz UELBTMRXEHDPMO-CYBMUJFWSA-N -1 3 392.331 0.134 20 0 GCADHM CN(C)c1noc(CC[C@@H]2NC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000821592566 607258691 /nfs/dbraw/zinc/25/86/91/607258691.db2.gz LGNBAEPNUONIHE-NSHDSACASA-N -1 3 383.372 0.373 20 0 GCADHM CN(C)c1noc(CC[C@@H]2NC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000821592566 607258692 /nfs/dbraw/zinc/25/86/92/607258692.db2.gz LGNBAEPNUONIHE-NSHDSACASA-N -1 3 383.372 0.373 20 0 GCADHM COCCc1nnc(S[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1N ZINC000821694490 599132713 /nfs/dbraw/zinc/13/27/13/599132713.db2.gz PITZQHOTSKJNIZ-SECBINFHSA-N -1 3 389.445 0.480 20 0 GCADHM COCCc1nnc(S[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1N ZINC000821694490 599132719 /nfs/dbraw/zinc/13/27/19/599132719.db2.gz PITZQHOTSKJNIZ-SECBINFHSA-N -1 3 389.445 0.480 20 0 GCADHM COCCc1nnc(S[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1N ZINC000821694491 599133022 /nfs/dbraw/zinc/13/30/22/599133022.db2.gz PITZQHOTSKJNIZ-VIFPVBQESA-N -1 3 389.445 0.480 20 0 GCADHM COCCc1nnc(S[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1N ZINC000821694491 599133024 /nfs/dbraw/zinc/13/30/24/599133024.db2.gz PITZQHOTSKJNIZ-VIFPVBQESA-N -1 3 389.445 0.480 20 0 GCADHM COCCc1nnc(SCCCOc2ccc(-c3nn[n-]n3)cc2)n1N ZINC000821694692 599133050 /nfs/dbraw/zinc/13/30/50/599133050.db2.gz YEZOJEUVWRBAFZ-UHFFFAOYSA-N -1 3 376.446 0.922 20 0 GCADHM O=C([C@H]1CCc2c[nH]nc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822918132 599135291 /nfs/dbraw/zinc/13/52/91/599135291.db2.gz ZPYLHSXOYWPLIH-LBPRGKRZSA-N -1 3 379.428 0.439 20 0 GCADHM O=C([C@H]1CCc2c[nH]nc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822918132 599135293 /nfs/dbraw/zinc/13/52/93/599135293.db2.gz ZPYLHSXOYWPLIH-LBPRGKRZSA-N -1 3 379.428 0.439 20 0 GCADHM CCNC(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000736576446 599140337 /nfs/dbraw/zinc/14/03/37/599140337.db2.gz SGOMPRXQHPGIAS-UHFFFAOYSA-N -1 3 392.851 0.806 20 0 GCADHM CCNC(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000736576446 599140340 /nfs/dbraw/zinc/14/03/40/599140340.db2.gz SGOMPRXQHPGIAS-UHFFFAOYSA-N -1 3 392.851 0.806 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738083252 599151010 /nfs/dbraw/zinc/15/10/10/599151010.db2.gz SQUKYCXWEXVRBU-NSHDSACASA-N -1 3 378.364 0.256 20 0 GCADHM O=C(NCCOC[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738083252 599151013 /nfs/dbraw/zinc/15/10/13/599151013.db2.gz SQUKYCXWEXVRBU-NSHDSACASA-N -1 3 378.364 0.256 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737753221 599156833 /nfs/dbraw/zinc/15/68/33/599156833.db2.gz NZSZOFSMVNNFLC-UHFFFAOYSA-N -1 3 380.364 0.230 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737753221 599156835 /nfs/dbraw/zinc/15/68/35/599156835.db2.gz NZSZOFSMVNNFLC-UHFFFAOYSA-N -1 3 380.364 0.230 20 0 GCADHM NC(=O)CNC(=O)c1cccc(OC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737753810 599157134 /nfs/dbraw/zinc/15/71/34/599157134.db2.gz RQZPQQOMOSJSTL-UHFFFAOYSA-N -1 3 396.363 0.066 20 0 GCADHM COC(=O)c1ccc(=O)n(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)n1 ZINC000736951591 599166857 /nfs/dbraw/zinc/16/68/57/599166857.db2.gz QDCFCHOUHJDCNV-UHFFFAOYSA-N -1 3 380.324 0.308 20 0 GCADHM COC(=O)c1ccc(=O)n(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)n1 ZINC000736951591 599166859 /nfs/dbraw/zinc/16/68/59/599166859.db2.gz QDCFCHOUHJDCNV-UHFFFAOYSA-N -1 3 380.324 0.308 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000738346967 599301790 /nfs/dbraw/zinc/30/17/90/599301790.db2.gz AXYIEZQUKHBSGD-NSHDSACASA-N -1 3 398.876 0.615 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](N2CCOCC2)C1 ZINC000738346967 599301792 /nfs/dbraw/zinc/30/17/92/599301792.db2.gz AXYIEZQUKHBSGD-NSHDSACASA-N -1 3 398.876 0.615 20 0 GCADHM CN1CC(=O)N(CCCC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC000821620692 599173577 /nfs/dbraw/zinc/17/35/77/599173577.db2.gz SDTJRFFDVBGNDE-UHFFFAOYSA-N -1 3 375.364 0.296 20 0 GCADHM CN1CC(=O)N(CCCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC000821620692 599173580 /nfs/dbraw/zinc/17/35/80/599173580.db2.gz SDTJRFFDVBGNDE-UHFFFAOYSA-N -1 3 375.364 0.296 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000736821355 599176843 /nfs/dbraw/zinc/17/68/43/599176843.db2.gz DNSBDKHUKIABER-UHFFFAOYSA-N -1 3 398.448 0.973 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000736821355 599176844 /nfs/dbraw/zinc/17/68/44/599176844.db2.gz DNSBDKHUKIABER-UHFFFAOYSA-N -1 3 398.448 0.973 20 0 GCADHM Cn1cc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)C2)cn1 ZINC000737603410 599179556 /nfs/dbraw/zinc/17/95/56/599179556.db2.gz KLYFEOAVKVWLLT-JTQLQIEISA-N -1 3 377.405 0.918 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000820528305 599185318 /nfs/dbraw/zinc/18/53/18/599185318.db2.gz NLQAYLCUCFOXPB-GDBMZVCRSA-N -1 3 386.456 0.957 20 0 GCADHM Cn1nc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1C1CC1 ZINC000737624713 599185941 /nfs/dbraw/zinc/18/59/41/599185941.db2.gz ZLZXQVLFNGRSJY-UHFFFAOYSA-N -1 3 379.428 0.835 20 0 GCADHM Cn1nc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1C1CC1 ZINC000737624713 599185944 /nfs/dbraw/zinc/18/59/44/599185944.db2.gz ZLZXQVLFNGRSJY-UHFFFAOYSA-N -1 3 379.428 0.835 20 0 GCADHM Cn1cc([C@@H]2CCN([C@H]3CC(=O)N(c4ccc(-c5nn[n-]n5)cc4)C3=O)C2)cn1 ZINC000737604776 599182274 /nfs/dbraw/zinc/18/22/74/599182274.db2.gz KMXDXDIHEZFCCJ-CJNGLKHVSA-N -1 3 392.423 0.722 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000820525553 599186931 /nfs/dbraw/zinc/18/69/31/599186931.db2.gz FXGANDAHSPTHNX-GFCCVEGCSA-N -1 3 396.407 0.815 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000737288522 599190886 /nfs/dbraw/zinc/19/08/86/599190886.db2.gz LABIALVJGWRXCK-CYBMUJFWSA-N -1 3 380.412 0.863 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000737288522 599190888 /nfs/dbraw/zinc/19/08/88/599190888.db2.gz LABIALVJGWRXCK-CYBMUJFWSA-N -1 3 380.412 0.863 20 0 GCADHM COCCOC[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821692462 599354529 /nfs/dbraw/zinc/35/45/29/599354529.db2.gz YHLJHTLFYLRHIN-VIFPVBQESA-N -1 3 375.838 0.850 20 0 GCADHM COCCOC[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821692462 599354531 /nfs/dbraw/zinc/35/45/31/599354531.db2.gz YHLJHTLFYLRHIN-VIFPVBQESA-N -1 3 375.838 0.850 20 0 GCADHM Cc1cc(N2CC[C@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822206116 599196083 /nfs/dbraw/zinc/19/60/83/599196083.db2.gz VAAUJRZEHOGBIG-AWEZNQCLSA-N -1 3 395.427 0.242 20 0 GCADHM Cc1nc(NC(=O)c2ccc3nncn3c2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737482136 599201228 /nfs/dbraw/zinc/20/12/28/599201228.db2.gz JQXWFPVOVWDHFL-UHFFFAOYSA-N -1 3 387.367 0.473 20 0 GCADHM Cc1nc(NC(=O)c2ccc(C(N)=O)s2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737482059 599201267 /nfs/dbraw/zinc/20/12/67/599201267.db2.gz GBJICRSPNRIRRJ-UHFFFAOYSA-N -1 3 395.408 0.590 20 0 GCADHM Cc1nc(NC(=O)c2ccc(N(C)C)nc2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737481643 599201381 /nfs/dbraw/zinc/20/13/81/599201381.db2.gz CPXHFDAGSXTVPC-UHFFFAOYSA-N -1 3 390.411 0.891 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737168377 599204823 /nfs/dbraw/zinc/20/48/23/599204823.db2.gz ZTVCBXDLCHOVLB-LLVKDONJSA-N -1 3 382.471 0.109 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737168377 599204825 /nfs/dbraw/zinc/20/48/25/599204825.db2.gz ZTVCBXDLCHOVLB-LLVKDONJSA-N -1 3 382.471 0.109 20 0 GCADHM CC(C)[C@]1(C)CC(=O)N(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1=O ZINC000735746901 599203621 /nfs/dbraw/zinc/20/36/21/599203621.db2.gz LXCYZQXBIYHETJ-IBGZPJMESA-N -1 3 398.471 0.762 20 0 GCADHM CC(C)[C@]1(C)CC(=O)N(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1=O ZINC000735746901 599203623 /nfs/dbraw/zinc/20/36/23/599203623.db2.gz LXCYZQXBIYHETJ-IBGZPJMESA-N -1 3 398.471 0.762 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000821700567 599207496 /nfs/dbraw/zinc/20/74/96/599207496.db2.gz RXLTUYYTLKPJNK-RAIGVLPGSA-N -1 3 386.412 0.380 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000821700567 599207499 /nfs/dbraw/zinc/20/74/99/599207499.db2.gz RXLTUYYTLKPJNK-RAIGVLPGSA-N -1 3 386.412 0.380 20 0 GCADHM CC[S@@](=O)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736663301 599212947 /nfs/dbraw/zinc/21/29/47/599212947.db2.gz CRQCCDIZWQXYKO-HHHXNRCGSA-N -1 3 392.489 0.298 20 0 GCADHM CC[S@@](=O)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736663301 599212948 /nfs/dbraw/zinc/21/29/48/599212948.db2.gz CRQCCDIZWQXYKO-HHHXNRCGSA-N -1 3 392.489 0.298 20 0 GCADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737164702 599213677 /nfs/dbraw/zinc/21/36/77/599213677.db2.gz ACVQXPNUPINDJU-CQSZACIVSA-N -1 3 394.457 0.176 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735643036 599213685 /nfs/dbraw/zinc/21/36/85/599213685.db2.gz KJURMHIWSJTWBM-SANMLTNESA-N -1 3 380.478 0.520 20 0 GCADHM CC(C)(C)[S@@](=O)CCNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735643036 599213687 /nfs/dbraw/zinc/21/36/87/599213687.db2.gz KJURMHIWSJTWBM-SANMLTNESA-N -1 3 380.478 0.520 20 0 GCADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737164700 599213905 /nfs/dbraw/zinc/21/39/05/599213905.db2.gz ACVQXPNUPINDJU-AWEZNQCLSA-N -1 3 394.457 0.176 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3sccc3-c3nnn[n-]3)C2=O)n(C)n1 ZINC000822207376 599216093 /nfs/dbraw/zinc/21/60/93/599216093.db2.gz UILHNCABMRLUTP-NSHDSACASA-N -1 3 386.441 0.896 20 0 GCADHM Cc1cc(N2CCC[C@H](NC(=O)c3sccc3-c3nn[n-]n3)C2=O)n(C)n1 ZINC000822207376 599216096 /nfs/dbraw/zinc/21/60/96/599216096.db2.gz UILHNCABMRLUTP-NSHDSACASA-N -1 3 386.441 0.896 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(C(=O)COc3ccccc3-c3nnn[n-]3)CCO2)n1 ZINC000822431746 599216100 /nfs/dbraw/zinc/21/61/00/599216100.db2.gz IAPYBDKKJODUAL-AWEZNQCLSA-N -1 3 398.427 0.381 20 0 GCADHM Cc1nc(C)n(C[C@@H]2CN(C(=O)COc3ccccc3-c3nn[n-]n3)CCO2)n1 ZINC000822431746 599216103 /nfs/dbraw/zinc/21/61/03/599216103.db2.gz IAPYBDKKJODUAL-AWEZNQCLSA-N -1 3 398.427 0.381 20 0 GCADHM Cc1nc(C)n(C[C@H]2CN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CCO2)n1 ZINC000822431934 599216748 /nfs/dbraw/zinc/21/67/48/599216748.db2.gz PMWAGPVMYQSNKX-MRXNPFEDSA-N -1 3 397.443 0.415 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736214628 599217307 /nfs/dbraw/zinc/21/73/07/599217307.db2.gz OYGDCLHUWRSNSM-SFHVURJKSA-N -1 3 399.411 0.082 20 0 GCADHM O=C(COC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737905028 599217443 /nfs/dbraw/zinc/21/74/43/599217443.db2.gz KPHLECJHIYSWAD-UHFFFAOYSA-N -1 3 382.380 0.991 20 0 GCADHM O=C(COC(=O)CCCn1ccccc1=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737905028 599217446 /nfs/dbraw/zinc/21/74/46/599217446.db2.gz KPHLECJHIYSWAD-UHFFFAOYSA-N -1 3 382.380 0.991 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000737056266 599218943 /nfs/dbraw/zinc/21/89/43/599218943.db2.gz BCCXRFXZWVACHQ-HHHXNRCGSA-N -1 3 394.457 0.477 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000737056266 599218946 /nfs/dbraw/zinc/21/89/46/599218946.db2.gz BCCXRFXZWVACHQ-HHHXNRCGSA-N -1 3 394.457 0.477 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737985236 599223089 /nfs/dbraw/zinc/22/30/89/599223089.db2.gz LFRYRMMWQWRKMJ-UHFFFAOYSA-N -1 3 392.379 0.167 20 0 GCADHM C[C@@H](NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)[C@H]1CN(C)CCO1 ZINC000820366406 607261888 /nfs/dbraw/zinc/26/18/88/607261888.db2.gz OBAXDHRBFNTLBU-IUODEOHRSA-N -1 3 375.433 0.264 20 0 GCADHM CCCN(C(=O)c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000821082514 607262822 /nfs/dbraw/zinc/26/28/22/607262822.db2.gz LYEIIBZMCHLFMX-JTQLQIEISA-N -1 3 384.849 0.954 20 0 GCADHM CCCN(C(=O)c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000821082514 607262823 /nfs/dbraw/zinc/26/28/23/607262823.db2.gz LYEIIBZMCHLFMX-JTQLQIEISA-N -1 3 384.849 0.954 20 0 GCADHM Cc1c(C(=O)N(CCN(C)C)CC(=O)[O-])nnn1-c1ccc2c(c1)OCCO2 ZINC000532675141 597001807 /nfs/dbraw/zinc/00/18/07/597001807.db2.gz WBVWESNHTAECAZ-UHFFFAOYSA-N -1 3 389.412 0.435 20 0 GCADHM Cc1sc(NC(=O)CN2C[C@H]3OCCN(C)[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822558595 607265698 /nfs/dbraw/zinc/26/56/98/607265698.db2.gz RWWXNXUUWDJIFO-VXGBXAGGSA-N -1 3 377.474 0.498 20 0 GCADHM Cc1sc(NC(=O)CN2C[C@H]3OCCN(C)[C@@H]3C2)c(-c2nn[n-]n2)c1C ZINC000822558595 607265699 /nfs/dbraw/zinc/26/56/99/607265699.db2.gz RWWXNXUUWDJIFO-VXGBXAGGSA-N -1 3 377.474 0.498 20 0 GCADHM C[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)CN1CCN(C)CC1 ZINC000738917815 597017546 /nfs/dbraw/zinc/01/75/46/597017546.db2.gz YLNLPCANDRMSSL-YJBOKZPZSA-N -1 3 387.484 0.706 20 0 GCADHM C[C@H](NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CN(C)CCO1 ZINC000820335182 607266090 /nfs/dbraw/zinc/26/60/90/607266090.db2.gz VGSLMLTVUMSUJQ-SWLSCSKDSA-N -1 3 376.486 0.935 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@H]1C ZINC000736623343 599236850 /nfs/dbraw/zinc/23/68/50/599236850.db2.gz FBSRGCVSKYXHLJ-CYBMUJFWSA-N -1 3 380.474 0.598 20 0 GCADHM CCOCCN1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@H]1C ZINC000736623343 599236852 /nfs/dbraw/zinc/23/68/52/599236852.db2.gz FBSRGCVSKYXHLJ-CYBMUJFWSA-N -1 3 380.474 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCN1CCOC ZINC000736406880 599237526 /nfs/dbraw/zinc/23/75/26/599237526.db2.gz MLRKQSQEVFHTRN-INIZCTEOSA-N -1 3 394.501 0.739 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCN1CCOC ZINC000736406880 599237527 /nfs/dbraw/zinc/23/75/27/599237527.db2.gz MLRKQSQEVFHTRN-INIZCTEOSA-N -1 3 394.501 0.739 20 0 GCADHM CC(C)[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)C(=O)[O-] ZINC000817956601 597038280 /nfs/dbraw/zinc/03/82/80/597038280.db2.gz SCDWFIROEHLIHN-AWEZNQCLSA-N -1 3 392.412 0.320 20 0 GCADHM O=C(Cn1ccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)n1)N1CCOCC1 ZINC000738177576 599240580 /nfs/dbraw/zinc/24/05/80/599240580.db2.gz AACWWVRIVCZKID-UHFFFAOYSA-N -1 3 397.399 0.566 20 0 GCADHM O=C(Cn1ccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)n1)N1CCOCC1 ZINC000738177576 599240582 /nfs/dbraw/zinc/24/05/82/599240582.db2.gz AACWWVRIVCZKID-UHFFFAOYSA-N -1 3 397.399 0.566 20 0 GCADHM COc1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)cc1N1CCNC1=O ZINC000737072894 599241493 /nfs/dbraw/zinc/24/14/93/599241493.db2.gz WOCJJMGPKTXSIS-UHFFFAOYSA-N -1 3 380.368 0.474 20 0 GCADHM COc1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)cc1N1CCNC1=O ZINC000737072894 599241498 /nfs/dbraw/zinc/24/14/98/599241498.db2.gz WOCJJMGPKTXSIS-UHFFFAOYSA-N -1 3 380.368 0.474 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822680030 599242150 /nfs/dbraw/zinc/24/21/50/599242150.db2.gz LMZLKMYCXVNRTH-CQSZACIVSA-N -1 3 381.400 0.917 20 0 GCADHM Cn1cc(N2CCC[C@@H](NC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822680030 599242151 /nfs/dbraw/zinc/24/21/51/599242151.db2.gz LMZLKMYCXVNRTH-CQSZACIVSA-N -1 3 381.400 0.917 20 0 GCADHM Cc1nc(CN2CCC[C@@H](N(C)C(=O)c3ccc(-c4nnn[n-]4)cn3)C2)no1 ZINC000737478942 599242243 /nfs/dbraw/zinc/24/22/43/599242243.db2.gz WZOCENCGWYIVKV-CYBMUJFWSA-N -1 3 383.416 0.690 20 0 GCADHM Cc1nc(CN2CCC[C@@H](N(C)C(=O)c3ccc(-c4nn[n-]n4)cn3)C2)no1 ZINC000737478942 599242245 /nfs/dbraw/zinc/24/22/45/599242245.db2.gz WZOCENCGWYIVKV-CYBMUJFWSA-N -1 3 383.416 0.690 20 0 GCADHM C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736226120 599242698 /nfs/dbraw/zinc/24/26/98/599242698.db2.gz VJIRHVZINMJZJO-QMMMGPOBSA-N -1 3 377.792 0.196 20 0 GCADHM C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736226120 599242706 /nfs/dbraw/zinc/24/27/06/599242706.db2.gz VJIRHVZINMJZJO-QMMMGPOBSA-N -1 3 377.792 0.196 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)Nc1cccc(-c3nnn[n-]3)c1C)C2 ZINC000822472741 607272532 /nfs/dbraw/zinc/27/25/32/607272532.db2.gz YGGYHRYOKGSTHZ-ZDUSSCGKSA-N -1 3 392.423 0.886 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)Nc1cccc(-c3nn[n-]n3)c1C)C2 ZINC000822472741 607272533 /nfs/dbraw/zinc/27/25/33/607272533.db2.gz YGGYHRYOKGSTHZ-ZDUSSCGKSA-N -1 3 392.423 0.886 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC000737005157 599244161 /nfs/dbraw/zinc/24/41/61/599244161.db2.gz QICIGPWKDOBXPW-NSHDSACASA-N -1 3 391.407 0.123 20 0 GCADHM COCCN1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC000737005157 599244162 /nfs/dbraw/zinc/24/41/62/599244162.db2.gz QICIGPWKDOBXPW-NSHDSACASA-N -1 3 391.407 0.123 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822053811 607275495 /nfs/dbraw/zinc/27/54/95/607275495.db2.gz RMPKEZHFUSYBEN-SNVBAGLBSA-N -1 3 397.361 0.866 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822053811 607275496 /nfs/dbraw/zinc/27/54/96/607275496.db2.gz RMPKEZHFUSYBEN-SNVBAGLBSA-N -1 3 397.361 0.866 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCN2CCOCC2(C)C)cccc1-c1nnn[n-]1 ZINC000822053913 607275683 /nfs/dbraw/zinc/27/56/83/607275683.db2.gz SOJTXOYFEMCNHV-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCN2CCOCC2(C)C)cccc1-c1nn[n-]n1 ZINC000822053913 607275684 /nfs/dbraw/zinc/27/56/84/607275684.db2.gz SOJTXOYFEMCNHV-UHFFFAOYSA-N -1 3 387.444 0.341 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCn3c(nnc3C(C)C)C2)cccc1-c1nnn[n-]1 ZINC000822043728 607275838 /nfs/dbraw/zinc/27/58/38/607275838.db2.gz HCGQEUMRDUNDOG-UHFFFAOYSA-N -1 3 395.427 0.871 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCn3c(nnc3C(C)C)C2)cccc1-c1nn[n-]n1 ZINC000822043728 607275839 /nfs/dbraw/zinc/27/58/39/607275839.db2.gz HCGQEUMRDUNDOG-UHFFFAOYSA-N -1 3 395.427 0.871 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)cccc1-c1nnn[n-]1 ZINC000822044763 607276818 /nfs/dbraw/zinc/27/68/18/607276818.db2.gz MTEANNHVHARBRA-NSHDSACASA-N -1 3 384.318 0.903 20 0 GCADHM Cc1c(NC(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)cccc1-c1nn[n-]n1 ZINC000822044763 607276819 /nfs/dbraw/zinc/27/68/19/607276819.db2.gz MTEANNHVHARBRA-NSHDSACASA-N -1 3 384.318 0.903 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)cccc1-c1nnn[n-]1 ZINC000822052793 607277079 /nfs/dbraw/zinc/27/70/79/607277079.db2.gz GIUMYJURFOVRGI-UHFFFAOYSA-N -1 3 394.457 0.443 20 0 GCADHM Cc1c(NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)cccc1-c1nn[n-]n1 ZINC000822052793 607277080 /nfs/dbraw/zinc/27/70/80/607277080.db2.gz GIUMYJURFOVRGI-UHFFFAOYSA-N -1 3 394.457 0.443 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(=O)N1c1cnn(C)c1 ZINC000820656760 599245641 /nfs/dbraw/zinc/24/56/41/599245641.db2.gz HCGBUWXVARZYCO-IINYFYTJSA-N -1 3 381.400 0.916 20 0 GCADHM C[C@H]1C[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C(=O)N1c1cnn(C)c1 ZINC000820656760 599245643 /nfs/dbraw/zinc/24/56/43/599245643.db2.gz HCGBUWXVARZYCO-IINYFYTJSA-N -1 3 381.400 0.916 20 0 GCADHM COc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821783123 607272893 /nfs/dbraw/zinc/27/28/93/607272893.db2.gz XBOVVMQEFQLGMT-MRXNPFEDSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821783123 607272894 /nfs/dbraw/zinc/27/28/94/607272894.db2.gz XBOVVMQEFQLGMT-MRXNPFEDSA-N -1 3 396.407 0.972 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=S)Nc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609352 599246911 /nfs/dbraw/zinc/24/69/11/599246911.db2.gz FEDOMAVZMSTGIH-ZDUSSCGKSA-N -1 3 383.441 0.692 20 0 GCADHM Cn1cc(N2CC[C@H](NC(=S)Nc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609352 599246913 /nfs/dbraw/zinc/24/69/13/599246913.db2.gz FEDOMAVZMSTGIH-ZDUSSCGKSA-N -1 3 383.441 0.692 20 0 GCADHM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000819803181 607274151 /nfs/dbraw/zinc/27/41/51/607274151.db2.gz KTDFMSYXTQGJTH-CYBMUJFWSA-N -1 3 385.428 0.488 20 0 GCADHM CC(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000819803181 607274152 /nfs/dbraw/zinc/27/41/52/607274152.db2.gz KTDFMSYXTQGJTH-CYBMUJFWSA-N -1 3 385.428 0.488 20 0 GCADHM CC[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C(=O)[O-] ZINC000818269780 597223514 /nfs/dbraw/zinc/22/35/14/597223514.db2.gz PJPAGZRHLWVLJL-OAHLLOKOSA-N -1 3 390.440 0.302 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cccc1-c1nnn[n-]1 ZINC000822043439 607278969 /nfs/dbraw/zinc/27/89/69/607278969.db2.gz DUMGWLJJAXYVQR-NSHDSACASA-N -1 3 385.428 0.629 20 0 GCADHM Cc1c(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cccc1-c1nn[n-]n1 ZINC000822043439 607278970 /nfs/dbraw/zinc/27/89/70/607278970.db2.gz DUMGWLJJAXYVQR-NSHDSACASA-N -1 3 385.428 0.629 20 0 GCADHM O=C(Cn1cc(Br)ccc1=O)Nc1ccncc1-c1nnn[n-]1 ZINC000737980290 599252184 /nfs/dbraw/zinc/25/21/84/599252184.db2.gz BNFFZIMQQJYVQN-UHFFFAOYSA-N -1 3 376.174 0.247 20 0 GCADHM O=C(Cn1cc(Br)ccc1=O)Nc1ccncc1-c1nn[n-]n1 ZINC000737980290 599252186 /nfs/dbraw/zinc/25/21/86/599252186.db2.gz BNFFZIMQQJYVQN-UHFFFAOYSA-N -1 3 376.174 0.247 20 0 GCADHM Cc1c(NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)cccc1-c1nnn[n-]1 ZINC000822091864 607282362 /nfs/dbraw/zinc/28/23/62/607282362.db2.gz UETYQLRTZZFXEO-ZWNOBZJWSA-N -1 3 393.473 0.967 20 0 GCADHM Cc1c(NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)cccc1-c1nn[n-]n1 ZINC000822091864 607282363 /nfs/dbraw/zinc/28/23/63/607282363.db2.gz UETYQLRTZZFXEO-ZWNOBZJWSA-N -1 3 393.473 0.967 20 0 GCADHM Cc1c(NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cccc1-c1nnn[n-]1 ZINC000822091862 607282395 /nfs/dbraw/zinc/28/23/95/607282395.db2.gz UETYQLRTZZFXEO-GXFFZTMASA-N -1 3 393.473 0.967 20 0 GCADHM Cc1c(NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cccc1-c1nn[n-]n1 ZINC000822091862 607282396 /nfs/dbraw/zinc/28/23/96/607282396.db2.gz UETYQLRTZZFXEO-GXFFZTMASA-N -1 3 393.473 0.967 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCC(=O)[O-])n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000818835372 597322340 /nfs/dbraw/zinc/32/23/40/597322340.db2.gz GTEITFMENBUABM-HNNXBMFYSA-N -1 3 385.424 0.778 20 0 GCADHM NC(=O)COc1ccc(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822868846 599255804 /nfs/dbraw/zinc/25/58/04/599255804.db2.gz IVRAMRMNIFRAJG-UHFFFAOYSA-N -1 3 397.395 0.931 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCN2CCCCCC2=O)c(-c2nnn[n-]2)c1 ZINC000737769525 599256980 /nfs/dbraw/zinc/25/69/80/599256980.db2.gz MPXYVRWYXGVMCJ-UHFFFAOYSA-N -1 3 393.473 0.719 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCN2CCCCCC2=O)c(-c2nn[n-]n2)c1 ZINC000737769525 599256982 /nfs/dbraw/zinc/25/69/82/599256982.db2.gz MPXYVRWYXGVMCJ-UHFFFAOYSA-N -1 3 393.473 0.719 20 0 GCADHM Cc1c(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cccc1-c1nnn[n-]1 ZINC000822091296 607287211 /nfs/dbraw/zinc/28/72/11/607287211.db2.gz PLWDLGPLCXCILR-NSHDSACASA-N -1 3 379.446 0.721 20 0 GCADHM Cc1c(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cccc1-c1nn[n-]n1 ZINC000822091296 607287212 /nfs/dbraw/zinc/28/72/12/607287212.db2.gz PLWDLGPLCXCILR-NSHDSACASA-N -1 3 379.446 0.721 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NC[C@@]1(O)CCSC1 ZINC000822955167 607302794 /nfs/dbraw/zinc/30/27/94/607302794.db2.gz KTXMJFGDBKLKLF-KRWDZBQOSA-N -1 3 390.469 0.960 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NC[C@@]1(O)CCSC1 ZINC000822955167 607302795 /nfs/dbraw/zinc/30/27/95/607302795.db2.gz KTXMJFGDBKLKLF-KRWDZBQOSA-N -1 3 390.469 0.960 20 0 GCADHM Cc1c(NC(=O)NCCCN2CCCS2(=O)=O)cccc1-c1nnn[n-]1 ZINC000822095284 607292323 /nfs/dbraw/zinc/29/23/23/607292323.db2.gz CHKWNITZYDSVQH-UHFFFAOYSA-N -1 3 379.446 0.722 20 0 GCADHM Cc1c(NC(=O)NCCCN2CCCS2(=O)=O)cccc1-c1nn[n-]n1 ZINC000822095284 607292324 /nfs/dbraw/zinc/29/23/24/607292324.db2.gz CHKWNITZYDSVQH-UHFFFAOYSA-N -1 3 379.446 0.722 20 0 GCADHM Cc1c(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cccc1-c1nnn[n-]1 ZINC000822084947 607292493 /nfs/dbraw/zinc/29/24/93/607292493.db2.gz TUZBUEYVPXMOMC-NSHDSACASA-N -1 3 379.446 0.721 20 0 GCADHM Cc1c(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cccc1-c1nn[n-]n1 ZINC000822084947 607292494 /nfs/dbraw/zinc/29/24/94/607292494.db2.gz TUZBUEYVPXMOMC-NSHDSACASA-N -1 3 379.446 0.721 20 0 GCADHM Cc1c(NC(=O)N(CCO)CCN2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822084975 607293294 /nfs/dbraw/zinc/29/32/94/607293294.db2.gz UQWKQHDVBKCXFL-UHFFFAOYSA-N -1 3 375.433 0.334 20 0 GCADHM Cc1c(NC(=O)N(CCO)CCN2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822084975 607293295 /nfs/dbraw/zinc/29/32/95/607293295.db2.gz UQWKQHDVBKCXFL-UHFFFAOYSA-N -1 3 375.433 0.334 20 0 GCADHM NC(=O)C1(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000822860590 607294156 /nfs/dbraw/zinc/29/41/56/607294156.db2.gz YWOJEOOWNIFYCI-UHFFFAOYSA-N -1 3 376.442 0.251 20 0 GCADHM NC(=O)C1(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000822860590 607294157 /nfs/dbraw/zinc/29/41/57/607294157.db2.gz YWOJEOOWNIFYCI-UHFFFAOYSA-N -1 3 376.442 0.251 20 0 GCADHM CNC(=O)CN1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000736875366 599259249 /nfs/dbraw/zinc/25/92/49/599259249.db2.gz WQHGNAOZRGGNAM-UHFFFAOYSA-N -1 3 386.847 0.936 20 0 GCADHM CNC(=O)CN1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000736875366 599259251 /nfs/dbraw/zinc/25/92/51/599259251.db2.gz WQHGNAOZRGGNAM-UHFFFAOYSA-N -1 3 386.847 0.936 20 0 GCADHM Cc1c(NC(=O)CCNS(=O)(=O)c2cccnc2)cccc1-c1nnn[n-]1 ZINC000822068901 607296695 /nfs/dbraw/zinc/29/66/95/607296695.db2.gz WEBLONIPDSJQLK-UHFFFAOYSA-N -1 3 387.425 0.877 20 0 GCADHM Cc1c(NC(=O)CCNS(=O)(=O)c2cccnc2)cccc1-c1nn[n-]n1 ZINC000822068901 607296696 /nfs/dbraw/zinc/29/66/96/607296696.db2.gz WEBLONIPDSJQLK-UHFFFAOYSA-N -1 3 387.425 0.877 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737609792 599260569 /nfs/dbraw/zinc/26/05/69/599260569.db2.gz JMSJXTCSXZVONJ-IDTUSYRASA-N -1 3 378.396 0.535 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737609792 599260572 /nfs/dbraw/zinc/26/05/72/599260572.db2.gz JMSJXTCSXZVONJ-IDTUSYRASA-N -1 3 378.396 0.535 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NCCNC(=O)C1CC1 ZINC000822955313 607300181 /nfs/dbraw/zinc/30/01/81/607300181.db2.gz POGMUUOGJWIOTD-UHFFFAOYSA-N -1 3 385.428 0.618 20 0 GCADHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NCCNC(=O)C1CC1 ZINC000822955313 607300182 /nfs/dbraw/zinc/30/01/82/607300182.db2.gz POGMUUOGJWIOTD-UHFFFAOYSA-N -1 3 385.428 0.618 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820965877 607300390 /nfs/dbraw/zinc/30/03/90/607300390.db2.gz AIZWIZAIQBNIBJ-CQSZACIVSA-N -1 3 385.428 0.713 20 0 GCADHM CC[C@@H]1C(=O)NCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820965877 607300391 /nfs/dbraw/zinc/30/03/91/607300391.db2.gz AIZWIZAIQBNIBJ-CQSZACIVSA-N -1 3 385.428 0.713 20 0 GCADHM CN(C)C(=O)CN1CCC(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000821576031 607300562 /nfs/dbraw/zinc/30/05/62/607300562.db2.gz ZBQCJYPCNUASEV-UHFFFAOYSA-N -1 3 392.851 0.198 20 0 GCADHM CN(C)C(=O)CN1CCC(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821576031 607300563 /nfs/dbraw/zinc/30/05/63/607300563.db2.gz ZBQCJYPCNUASEV-UHFFFAOYSA-N -1 3 392.851 0.198 20 0 GCADHM CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000735472858 599264240 /nfs/dbraw/zinc/26/42/40/599264240.db2.gz BLISWDGTLLYCFD-IRXDYDNUSA-N -1 3 399.455 0.199 20 0 GCADHM O=C1CN(c2ccc(NC[C@@H]3CNc4c(-c5nnn[n-]5)cnn4C3)cc2)CCN1 ZINC000823535885 607309285 /nfs/dbraw/zinc/30/92/85/607309285.db2.gz LGNVPXDEMVITOJ-GFCCVEGCSA-N -1 3 394.443 0.153 20 0 GCADHM O=C1CN(c2ccc(NC[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)cc2)CCN1 ZINC000823535885 607309286 /nfs/dbraw/zinc/30/92/86/607309286.db2.gz LGNVPXDEMVITOJ-GFCCVEGCSA-N -1 3 394.443 0.153 20 0 GCADHM CC(=O)NC[C@@H]1CN(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)CCO1 ZINC000735473962 599264429 /nfs/dbraw/zinc/26/44/29/599264429.db2.gz MGGXKVJIHSJCGS-MRXNPFEDSA-N -1 3 382.428 0.525 20 0 GCADHM CC(=O)NC[C@@H]1CN(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)CCO1 ZINC000735473962 599264430 /nfs/dbraw/zinc/26/44/30/599264430.db2.gz MGGXKVJIHSJCGS-MRXNPFEDSA-N -1 3 382.428 0.525 20 0 GCADHM Cn1nnnc1-c1cccc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000822714129 607310885 /nfs/dbraw/zinc/31/08/85/607310885.db2.gz GUGIGDREUBIDRI-SNVBAGLBSA-N -1 3 378.404 0.408 20 0 GCADHM Cn1nnnc1-c1cccc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000822714129 607310886 /nfs/dbraw/zinc/31/08/86/607310886.db2.gz GUGIGDREUBIDRI-SNVBAGLBSA-N -1 3 378.404 0.408 20 0 GCADHM O=C(CN1CCN([C@@H]2CCOC2)CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822997850 607312747 /nfs/dbraw/zinc/31/27/47/607312747.db2.gz WBFUASZAPFPQCS-CYBMUJFWSA-N -1 3 391.863 0.865 20 0 GCADHM O=C(CN1CCN([C@@H]2CCOC2)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822997850 607312748 /nfs/dbraw/zinc/31/27/48/607312748.db2.gz WBFUASZAPFPQCS-CYBMUJFWSA-N -1 3 391.863 0.865 20 0 GCADHM Fc1cc(NC[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)ccc1-n1cncn1 ZINC000822753283 607313676 /nfs/dbraw/zinc/31/36/76/607313676.db2.gz LLHJEDPSJDMPFI-SNVBAGLBSA-N -1 3 381.379 0.937 20 0 GCADHM Fc1cc(NC[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)ccc1-n1cncn1 ZINC000822753283 607313677 /nfs/dbraw/zinc/31/36/77/607313677.db2.gz LLHJEDPSJDMPFI-SNVBAGLBSA-N -1 3 381.379 0.937 20 0 GCADHM O[C@@H](CNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21)CN1CCOCC1 ZINC000823690384 607303270 /nfs/dbraw/zinc/30/32/70/607303270.db2.gz NYFWQSFZRBSOPK-JTQLQIEISA-N -1 3 391.382 0.220 20 0 GCADHM O[C@@H](CNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21)CN1CCOCC1 ZINC000823690384 607303271 /nfs/dbraw/zinc/30/32/71/607303271.db2.gz NYFWQSFZRBSOPK-JTQLQIEISA-N -1 3 391.382 0.220 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)C(=O)[O-] ZINC000818019117 597516088 /nfs/dbraw/zinc/51/60/88/597516088.db2.gz XWSNTNJXIBYDIQ-DOMZBBRYSA-N -1 3 390.440 0.381 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)C(=O)[O-] ZINC000818019122 597516143 /nfs/dbraw/zinc/51/61/43/597516143.db2.gz XWSNTNJXIBYDIQ-WFASDCNBSA-N -1 3 390.440 0.381 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3cc(-c4nnn[n-]4)nc4ccccc43)CC2)C1 ZINC000823613514 607304280 /nfs/dbraw/zinc/30/42/80/607304280.db2.gz KHLAHQOIFZKNAM-CYBMUJFWSA-N -1 3 399.480 0.724 20 0 GCADHM CCNC(=O)CN1CCN(c2c(-c3nnn[n-]3)cnc3c(C)cccc32)CC1 ZINC000736575252 599266308 /nfs/dbraw/zinc/26/63/08/599266308.db2.gz DEKLXJCFDCJILG-UHFFFAOYSA-N -1 3 380.456 0.981 20 0 GCADHM CCNC(=O)CN1CCN(c2c(-c3nn[n-]n3)cnc3c(C)cccc32)CC1 ZINC000736575252 599266309 /nfs/dbraw/zinc/26/63/09/599266309.db2.gz DEKLXJCFDCJILG-UHFFFAOYSA-N -1 3 380.456 0.981 20 0 GCADHM CC(=O)NC[C@@H]1CN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CCO1 ZINC000735473122 599269842 /nfs/dbraw/zinc/26/98/42/599269842.db2.gz FAFLCPKBHFAGPR-LLVKDONJSA-N -1 3 379.446 0.094 20 0 GCADHM CC(=O)NC[C@@H]1CN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CCO1 ZINC000735473122 599269844 /nfs/dbraw/zinc/26/98/44/599269844.db2.gz FAFLCPKBHFAGPR-LLVKDONJSA-N -1 3 379.446 0.094 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000822217595 599270272 /nfs/dbraw/zinc/27/02/72/599270272.db2.gz ITEGOZONAUHJQC-CYBMUJFWSA-N -1 3 398.471 0.992 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000822217595 599270274 /nfs/dbraw/zinc/27/02/74/599270274.db2.gz ITEGOZONAUHJQC-CYBMUJFWSA-N -1 3 398.471 0.992 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000822217596 599270301 /nfs/dbraw/zinc/27/03/01/599270301.db2.gz ITEGOZONAUHJQC-ZDUSSCGKSA-N -1 3 398.471 0.992 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000822217596 599270303 /nfs/dbraw/zinc/27/03/03/599270303.db2.gz ITEGOZONAUHJQC-ZDUSSCGKSA-N -1 3 398.471 0.992 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)n1 ZINC000821577935 599274770 /nfs/dbraw/zinc/27/47/70/599274770.db2.gz FDYIAWWORIMMRX-UHFFFAOYSA-N -1 3 387.379 0.612 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC000821577935 599274772 /nfs/dbraw/zinc/27/47/72/599274772.db2.gz FDYIAWWORIMMRX-UHFFFAOYSA-N -1 3 387.379 0.612 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000736184675 599275928 /nfs/dbraw/zinc/27/59/28/599275928.db2.gz MAZUJGNTVPGMQK-STQMWFEESA-N -1 3 384.400 0.153 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000736184675 599275933 /nfs/dbraw/zinc/27/59/33/599275933.db2.gz MAZUJGNTVPGMQK-STQMWFEESA-N -1 3 384.400 0.153 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736524897 599276251 /nfs/dbraw/zinc/27/62/51/599276251.db2.gz XEDDNMLRQDQESP-HNNXBMFYSA-N -1 3 399.455 0.456 20 0 GCADHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736524897 599276254 /nfs/dbraw/zinc/27/62/54/599276254.db2.gz XEDDNMLRQDQESP-HNNXBMFYSA-N -1 3 399.455 0.456 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736184674 599276293 /nfs/dbraw/zinc/27/62/93/599276293.db2.gz MAZUJGNTVPGMQK-QWHCGFSZSA-N -1 3 384.400 0.153 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000736184674 599276295 /nfs/dbraw/zinc/27/62/95/599276295.db2.gz MAZUJGNTVPGMQK-QWHCGFSZSA-N -1 3 384.400 0.153 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000736637938 599278520 /nfs/dbraw/zinc/27/85/20/599278520.db2.gz VAPWTSXXEHKBRH-ZDUSSCGKSA-N -1 3 399.415 0.790 20 0 GCADHM CN1CC[C@H](C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)CC1=O ZINC000736850059 599279788 /nfs/dbraw/zinc/27/97/88/599279788.db2.gz YUGUDSNXFXKUSH-ZDUSSCGKSA-N -1 3 383.456 0.820 20 0 GCADHM CN1CC[C@H](C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)CC1=O ZINC000736850059 599279791 /nfs/dbraw/zinc/27/97/91/599279791.db2.gz YUGUDSNXFXKUSH-ZDUSSCGKSA-N -1 3 383.456 0.820 20 0 GCADHM Cc1cnn(CCNC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737449346 599280911 /nfs/dbraw/zinc/28/09/11/599280911.db2.gz VYHFLNLWRNPESQ-UHFFFAOYSA-N -1 3 382.432 0.298 20 0 GCADHM Cc1cnn(CCNC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737449346 599280912 /nfs/dbraw/zinc/28/09/12/599280912.db2.gz VYHFLNLWRNPESQ-UHFFFAOYSA-N -1 3 382.432 0.298 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000737294462 599281365 /nfs/dbraw/zinc/28/13/65/599281365.db2.gz PDRCFSOIWQGUEC-ZDUSSCGKSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000737294462 599281367 /nfs/dbraw/zinc/28/13/67/599281367.db2.gz PDRCFSOIWQGUEC-ZDUSSCGKSA-N -1 3 381.400 0.836 20 0 GCADHM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CCN(C)[C@@H](C)C1 ZINC000737487390 599281753 /nfs/dbraw/zinc/28/17/53/599281753.db2.gz IGNLAWJZLKCBAU-NSHDSACASA-N -1 3 383.460 0.621 20 0 GCADHM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CCN(C)[C@@H](C)C1 ZINC000737487390 599281754 /nfs/dbraw/zinc/28/17/54/599281754.db2.gz IGNLAWJZLKCBAU-NSHDSACASA-N -1 3 383.460 0.621 20 0 GCADHM O=C(Cc1csc(-c2nc[nH]n2)n1)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737978667 599284249 /nfs/dbraw/zinc/28/42/49/599284249.db2.gz XJGYMRUELLGXGV-UHFFFAOYSA-N -1 3 398.412 0.701 20 0 GCADHM O=C(Cc1csc(-c2nc[nH]n2)n1)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737978667 599284251 /nfs/dbraw/zinc/28/42/51/599284251.db2.gz XJGYMRUELLGXGV-UHFFFAOYSA-N -1 3 398.412 0.701 20 0 GCADHM NC(=O)COCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822869169 607324817 /nfs/dbraw/zinc/32/48/17/607324817.db2.gz PSQNLQGHSRAFPO-UHFFFAOYSA-N -1 3 383.368 0.286 20 0 GCADHM NC(=O)COCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822869169 607324818 /nfs/dbraw/zinc/32/48/18/607324818.db2.gz PSQNLQGHSRAFPO-UHFFFAOYSA-N -1 3 383.368 0.286 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)C1=O ZINC000735874989 599290989 /nfs/dbraw/zinc/29/09/89/599290989.db2.gz IZJSBWAPBDUYHI-GOSISDBHSA-N -1 3 398.427 0.210 20 0 GCADHM CC(C)N1C(=O)N[C@@]2(CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)C1=O ZINC000735874989 599290993 /nfs/dbraw/zinc/29/09/93/599290993.db2.gz IZJSBWAPBDUYHI-GOSISDBHSA-N -1 3 398.427 0.210 20 0 GCADHM Cc1c[nH]c(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822395156 607324434 /nfs/dbraw/zinc/32/44/34/607324434.db2.gz UAJUWTJHGYYWGV-SECBINFHSA-N -1 3 376.402 0.204 20 0 GCADHM Cc1c[nH]c(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822395156 607324435 /nfs/dbraw/zinc/32/44/35/607324435.db2.gz UAJUWTJHGYYWGV-SECBINFHSA-N -1 3 376.402 0.204 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[C@H]1CN(C)CCO1 ZINC000820396275 607325018 /nfs/dbraw/zinc/32/50/18/607325018.db2.gz DSJGUITXPPAJBV-IAQYHMDHSA-N -1 3 397.443 0.084 20 0 GCADHM C[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[C@H]1CN(C)CCO1 ZINC000820396275 607325019 /nfs/dbraw/zinc/32/50/19/607325019.db2.gz DSJGUITXPPAJBV-IAQYHMDHSA-N -1 3 397.443 0.084 20 0 GCADHM Cc1sc2nnn(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)c(=O)c2c1C 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O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCN(c2cccnn2)CC1 ZINC000823323442 607338198 /nfs/dbraw/zinc/33/81/98/607338198.db2.gz OEPTUBBXUYXMJT-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCN(c2cccnn2)CC1 ZINC000823323442 607338200 /nfs/dbraw/zinc/33/82/00/607338200.db2.gz OEPTUBBXUYXMJT-UHFFFAOYSA-N -1 3 397.374 0.083 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC000820211102 607338488 /nfs/dbraw/zinc/33/84/88/607338488.db2.gz CZJHDRKQLPECID-UHFFFAOYSA-N -1 3 399.390 0.702 20 0 GCADHM CC(C)c1nnc2n1CCN(C(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC000820211102 607338490 /nfs/dbraw/zinc/33/84/90/607338490.db2.gz CZJHDRKQLPECID-UHFFFAOYSA-N -1 3 399.390 0.702 20 0 GCADHM CC(C)(C)[S@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819951139 607338770 /nfs/dbraw/zinc/33/87/70/607338770.db2.gz OHSREXIJJORBOR-AREMUKBSSA-N -1 3 382.421 0.608 20 0 GCADHM CC(C)(C)[S@](=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819951139 607338772 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20 0 GCADHM COC(=O)[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)C1 ZINC000736912820 598233355 /nfs/dbraw/zinc/23/33/55/598233355.db2.gz QXXXXEVPJKIVCU-KZULUSFZSA-N -1 3 399.411 0.086 20 0 GCADHM COC(=O)[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)C1 ZINC000736912820 598233356 /nfs/dbraw/zinc/23/33/56/598233356.db2.gz QXXXXEVPJKIVCU-KZULUSFZSA-N -1 3 399.411 0.086 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737792274 598236510 /nfs/dbraw/zinc/23/65/10/598236510.db2.gz NGYBNOXBBNUWJK-CYBMUJFWSA-N -1 3 391.453 0.671 20 0 GCADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737792274 598236512 /nfs/dbraw/zinc/23/65/12/598236512.db2.gz NGYBNOXBBNUWJK-CYBMUJFWSA-N -1 3 391.453 0.671 20 0 GCADHM NC(=O)c1cccnc1N1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000737764249 598243291 /nfs/dbraw/zinc/24/32/91/598243291.db2.gz JBILMEOGWTWSBT-UHFFFAOYSA-N -1 3 391.439 0.571 20 0 GCADHM NC(=O)c1cccnc1N1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000737764249 598243293 /nfs/dbraw/zinc/24/32/93/598243293.db2.gz JBILMEOGWTWSBT-UHFFFAOYSA-N -1 3 391.439 0.571 20 0 GCADHM Cc1nnc(N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c(C(N)=O)c1C ZINC000737519378 598246507 /nfs/dbraw/zinc/24/65/07/598246507.db2.gz CWWSTSNPLZZKMY-UHFFFAOYSA-N -1 3 397.418 0.838 20 0 GCADHM Cc1nnc(N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c(C(N)=O)c1C ZINC000737519378 598246509 /nfs/dbraw/zinc/24/65/09/598246509.db2.gz CWWSTSNPLZZKMY-UHFFFAOYSA-N -1 3 397.418 0.838 20 0 GCADHM COC(=O)CCNC(=O)CN1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736919020 598249128 /nfs/dbraw/zinc/24/91/28/598249128.db2.gz MUWNBZCVLYEOAT-UHFFFAOYSA-N -1 3 388.428 0.389 20 0 GCADHM C[C@@](NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)(C(N)=O)c1ccccc1 ZINC000736132510 598249276 /nfs/dbraw/zinc/24/92/76/598249276.db2.gz OXSQLZVQPWIIQQ-IBGZPJMESA-N -1 3 379.424 0.473 20 0 GCADHM C[C@@](NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)(C(N)=O)c1ccccc1 ZINC000736132510 598249278 /nfs/dbraw/zinc/24/92/78/598249278.db2.gz OXSQLZVQPWIIQQ-IBGZPJMESA-N -1 3 379.424 0.473 20 0 GCADHM C[C@@](NCC(=O)NCc1cccc(-c2nnn[n-]2)c1)(C(N)=O)c1ccccc1 ZINC000736131144 598249431 /nfs/dbraw/zinc/24/94/31/598249431.db2.gz JLQACWOBGWPITP-IBGZPJMESA-N -1 3 379.424 0.473 20 0 GCADHM C[C@@](NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)(C(N)=O)c1ccccc1 ZINC000736131144 598249432 /nfs/dbraw/zinc/24/94/32/598249432.db2.gz JLQACWOBGWPITP-IBGZPJMESA-N -1 3 379.424 0.473 20 0 GCADHM COCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736991160 598252331 /nfs/dbraw/zinc/25/23/31/598252331.db2.gz YZNMONVNPPVNCY-UHFFFAOYSA-N -1 3 397.457 0.846 20 0 GCADHM COCCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736991160 598252332 /nfs/dbraw/zinc/25/23/32/598252332.db2.gz YZNMONVNPPVNCY-UHFFFAOYSA-N -1 3 397.457 0.846 20 0 GCADHM CN(C)c1nc(N)nc(CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000736780642 598252918 /nfs/dbraw/zinc/25/29/18/598252918.db2.gz YQFBOOATOGHBEB-UHFFFAOYSA-N -1 3 381.448 0.022 20 0 GCADHM CN(C)c1nc(N)nc(CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000736780642 598252919 /nfs/dbraw/zinc/25/29/19/598252919.db2.gz YQFBOOATOGHBEB-UHFFFAOYSA-N -1 3 381.448 0.022 20 0 GCADHM Cc1cc(NC(=O)CN2CCN(c3ccccc3-c3nnn[n-]3)CC2)n(C)n1 ZINC000737271244 598253167 /nfs/dbraw/zinc/25/31/67/598253167.db2.gz LZZADXSLWPNDGU-UHFFFAOYSA-N -1 3 381.444 0.669 20 0 GCADHM Cc1cc(NC(=O)CN2CCN(c3ccccc3-c3nn[n-]n3)CC2)n(C)n1 ZINC000737271244 598253169 /nfs/dbraw/zinc/25/31/69/598253169.db2.gz LZZADXSLWPNDGU-UHFFFAOYSA-N -1 3 381.444 0.669 20 0 GCADHM COCCCNC(=O)[C@@H](C)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736985248 598256120 /nfs/dbraw/zinc/25/61/20/598256120.db2.gz DSZSQUFCKRAJOU-CYBMUJFWSA-N -1 3 391.451 0.669 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736414650 598257527 /nfs/dbraw/zinc/25/75/27/598257527.db2.gz ZGPKSLBPRSKRQP-MRXNPFEDSA-N -1 3 385.472 0.864 20 0 GCADHM CCCC(=O)N[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736414650 598257528 /nfs/dbraw/zinc/25/75/28/598257528.db2.gz ZGPKSLBPRSKRQP-MRXNPFEDSA-N -1 3 385.472 0.864 20 0 GCADHM Cn1cccc(C(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)c1=O ZINC000737612848 598258998 /nfs/dbraw/zinc/25/89/98/598258998.db2.gz JKNUAXFVNUZPGA-UHFFFAOYSA-N -1 3 379.424 0.918 20 0 GCADHM Cn1cccc(C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)c1=O ZINC000737612848 598258999 /nfs/dbraw/zinc/25/89/99/598258999.db2.gz JKNUAXFVNUZPGA-UHFFFAOYSA-N -1 3 379.424 0.918 20 0 GCADHM C[C@H](NS(C)(=O)=O)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736130830 598259724 /nfs/dbraw/zinc/25/97/24/598259724.db2.gz OIXHEBVAMCMJSI-NSHDSACASA-N -1 3 394.457 0.174 20 0 GCADHM C[C@H](NS(C)(=O)=O)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736130830 598259726 /nfs/dbraw/zinc/25/97/26/598259726.db2.gz OIXHEBVAMCMJSI-NSHDSACASA-N -1 3 394.457 0.174 20 0 GCADHM CN(C)[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc(F)c1 ZINC000736760097 598260764 /nfs/dbraw/zinc/26/07/64/598260764.db2.gz PERAOOHRNXACJE-OAHLLOKOSA-N -1 3 391.432 0.982 20 0 GCADHM CN(C)[C@H](CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc(F)c1 ZINC000736760097 598260766 /nfs/dbraw/zinc/26/07/66/598260766.db2.gz PERAOOHRNXACJE-OAHLLOKOSA-N -1 3 391.432 0.982 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@H](O)Cc1ccccc1 ZINC000737888854 598260880 /nfs/dbraw/zinc/26/08/80/598260880.db2.gz GZXSVAKQRMDILC-MRXNPFEDSA-N -1 3 380.408 0.316 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@H](O)Cc1ccccc1 ZINC000737888854 598260881 /nfs/dbraw/zinc/26/08/81/598260881.db2.gz GZXSVAKQRMDILC-MRXNPFEDSA-N -1 3 380.408 0.316 20 0 GCADHM O=S(=O)(C[C@@H]1CCCO1)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738319324 598261365 /nfs/dbraw/zinc/26/13/65/598261365.db2.gz VCSSFSKYZXRPIL-INIZCTEOSA-N -1 3 392.485 0.493 20 0 GCADHM O=S(=O)(C[C@@H]1CCCO1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738319324 598261366 /nfs/dbraw/zinc/26/13/66/598261366.db2.gz VCSSFSKYZXRPIL-INIZCTEOSA-N -1 3 392.485 0.493 20 0 GCADHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736595051 598269108 /nfs/dbraw/zinc/26/91/08/598269108.db2.gz UWFGULDQAFRGIH-CYBMUJFWSA-N -1 3 380.430 0.229 20 0 GCADHM CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736595051 598269109 /nfs/dbraw/zinc/26/91/09/598269109.db2.gz UWFGULDQAFRGIH-CYBMUJFWSA-N -1 3 380.430 0.229 20 0 GCADHM CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735887981 598271792 /nfs/dbraw/zinc/27/17/92/598271792.db2.gz HFKODEPELZQLJY-QWRGUYRKSA-N -1 3 390.400 0.800 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000737221549 598272405 /nfs/dbraw/zinc/27/24/05/598272405.db2.gz MDQWMBSGZTVCDO-UHFFFAOYSA-N -1 3 395.422 0.590 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000737221549 598272406 /nfs/dbraw/zinc/27/24/06/598272406.db2.gz MDQWMBSGZTVCDO-UHFFFAOYSA-N -1 3 395.422 0.590 20 0 GCADHM NC(=O)CSCC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737754488 598274605 /nfs/dbraw/zinc/27/46/05/598274605.db2.gz WNFQTTBGJDNMMA-UHFFFAOYSA-N -1 3 376.442 0.455 20 0 GCADHM NC(=O)CSCC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737754488 598274607 /nfs/dbraw/zinc/27/46/07/598274607.db2.gz WNFQTTBGJDNMMA-UHFFFAOYSA-N -1 3 376.442 0.455 20 0 GCADHM Cc1cc(C)n2nc(NC(=O)NCCNc3ncccc3-c3nnn[n-]3)nc2n1 ZINC000737256185 598279825 /nfs/dbraw/zinc/27/98/25/598279825.db2.gz HOHRHTKBPJZRRB-UHFFFAOYSA-N -1 3 394.403 0.550 20 0 GCADHM Cc1cc(C)n2nc(NC(=O)NCCNc3ncccc3-c3nn[n-]n3)nc2n1 ZINC000737256185 598279826 /nfs/dbraw/zinc/27/98/26/598279826.db2.gz HOHRHTKBPJZRRB-UHFFFAOYSA-N -1 3 394.403 0.550 20 0 GCADHM O=C(NCCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)C1CC1 ZINC000738075414 598282767 /nfs/dbraw/zinc/28/27/67/598282767.db2.gz QOIKQHZWMODXED-UHFFFAOYSA-N -1 3 384.444 0.225 20 0 GCADHM O=C(NCCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)C1CC1 ZINC000738075414 598282769 /nfs/dbraw/zinc/28/27/69/598282769.db2.gz QOIKQHZWMODXED-UHFFFAOYSA-N -1 3 384.444 0.225 20 0 GCADHM C[C@H](Cn1ccnc1)NC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736076926 598283464 /nfs/dbraw/zinc/28/34/64/598283464.db2.gz DUPIGBRPSGVNOV-CQSZACIVSA-N -1 3 381.444 0.984 20 0 GCADHM CCN(CC)C(=O)CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736530086 598283697 /nfs/dbraw/zinc/28/36/97/598283697.db2.gz WJGURJSCRHZNPY-UHFFFAOYSA-N -1 3 386.460 0.567 20 0 GCADHM CCN(CC)C(=O)CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736530086 598283699 /nfs/dbraw/zinc/28/36/99/598283699.db2.gz WJGURJSCRHZNPY-UHFFFAOYSA-N -1 3 386.460 0.567 20 0 GCADHM CCn1cc(N2C(=O)C[C@@H](N(C)Cc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000736721478 598284912 /nfs/dbraw/zinc/28/49/12/598284912.db2.gz BRLWZDUUICJMTF-OAHLLOKOSA-N -1 3 380.412 0.847 20 0 GCADHM Cc1noc(CCNC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737535768 598285688 /nfs/dbraw/zinc/28/56/88/598285688.db2.gz YKBSAUVLHXPFMY-UHFFFAOYSA-N -1 3 397.443 0.628 20 0 GCADHM CC(C)[C@H](OC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)N(C)C ZINC000735733264 598286626 /nfs/dbraw/zinc/28/66/26/598286626.db2.gz GPLBSIVVAPXNDB-AWEZNQCLSA-N -1 3 398.427 0.904 20 0 GCADHM CC(C)[C@H](OC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)N(C)C ZINC000735733264 598286629 /nfs/dbraw/zinc/28/66/29/598286629.db2.gz GPLBSIVVAPXNDB-AWEZNQCLSA-N -1 3 398.427 0.904 20 0 GCADHM Cc1nc(S(=O)(=O)NCC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cn1C ZINC000737291794 598286810 /nfs/dbraw/zinc/28/68/10/598286810.db2.gz QDKQRRPJWGSOQO-UHFFFAOYSA-N -1 3 390.429 0.134 20 0 GCADHM COC(=O)NC(C)(C)C(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000736937586 598289335 /nfs/dbraw/zinc/28/93/35/598289335.db2.gz XTRNODSKNZOXCB-UHFFFAOYSA-N -1 3 376.373 0.161 20 0 GCADHM COC(=O)NC(C)(C)C(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736937586 598289337 /nfs/dbraw/zinc/28/93/37/598289337.db2.gz XTRNODSKNZOXCB-UHFFFAOYSA-N -1 3 376.373 0.161 20 0 GCADHM Cn1cc(CC(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737603308 598289785 /nfs/dbraw/zinc/28/97/85/598289785.db2.gz JIYFLMOXGBZSED-UHFFFAOYSA-N -1 3 375.776 0.978 20 0 GCADHM Cn1cc(CC(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737603308 598289786 /nfs/dbraw/zinc/28/97/86/598289786.db2.gz JIYFLMOXGBZSED-UHFFFAOYSA-N -1 3 375.776 0.978 20 0 GCADHM O=C(COC(=O)c1ccc2nncn2c1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737910690 598290019 /nfs/dbraw/zinc/29/00/19/598290019.db2.gz JSZHWELRHFSSMW-UHFFFAOYSA-N -1 3 378.352 0.383 20 0 GCADHM O=C(COC(=O)c1ccc2nncn2c1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737910690 598290021 /nfs/dbraw/zinc/29/00/21/598290021.db2.gz JSZHWELRHFSSMW-UHFFFAOYSA-N -1 3 378.352 0.383 20 0 GCADHM Cc1ccncc1NC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737446706 598290518 /nfs/dbraw/zinc/29/05/18/598290518.db2.gz XRIPKKULEQQBTO-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM Cc1ccncc1NC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737446706 598290519 /nfs/dbraw/zinc/29/05/19/598290519.db2.gz XRIPKKULEQQBTO-UHFFFAOYSA-N -1 3 393.411 0.252 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735536431 598290945 /nfs/dbraw/zinc/29/09/45/598290945.db2.gz GHIMZDHOXZNTBQ-CABCVRRESA-N -1 3 385.472 0.672 20 0 GCADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735536431 598290947 /nfs/dbraw/zinc/29/09/47/598290947.db2.gz GHIMZDHOXZNTBQ-CABCVRRESA-N -1 3 385.472 0.672 20 0 GCADHM O=C(NC[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738036369 598291929 /nfs/dbraw/zinc/29/19/29/598291929.db2.gz BEHIJNBTABRSEH-ZDUSSCGKSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(NC[C@@H](O)Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738036369 598291931 /nfs/dbraw/zinc/29/19/31/598291931.db2.gz BEHIJNBTABRSEH-ZDUSSCGKSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1ccc(-n2cnnn2)cc1 ZINC000738224041 598292503 /nfs/dbraw/zinc/29/25/03/598292503.db2.gz MIAKIDXQBGPFJW-UHFFFAOYSA-N -1 3 378.356 0.506 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1ccc(-n2cnnn2)cc1 ZINC000738224041 598292505 /nfs/dbraw/zinc/29/25/05/598292505.db2.gz MIAKIDXQBGPFJW-UHFFFAOYSA-N -1 3 378.356 0.506 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000736752033 598292545 /nfs/dbraw/zinc/29/25/45/598292545.db2.gz ROFFZTDESPXNGS-UHFFFAOYSA-N -1 3 383.416 0.815 20 0 GCADHM CN(C)C(=O)Cn1ccc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000736752033 598292546 /nfs/dbraw/zinc/29/25/46/598292546.db2.gz ROFFZTDESPXNGS-UHFFFAOYSA-N -1 3 383.416 0.815 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000738224856 598292686 /nfs/dbraw/zinc/29/26/86/598292686.db2.gz WQZFBIURXFARFO-CYBMUJFWSA-N -1 3 385.428 0.865 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000738224856 598292688 /nfs/dbraw/zinc/29/26/88/598292688.db2.gz WQZFBIURXFARFO-CYBMUJFWSA-N -1 3 385.428 0.865 20 0 GCADHM CC(C)n1ncc2cc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)cnc21 ZINC000735964612 598292823 /nfs/dbraw/zinc/29/28/23/598292823.db2.gz AYQYZIJJAZQUTL-UHFFFAOYSA-N -1 3 382.388 0.828 20 0 GCADHM CC(C)n1ncc2cc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)cnc21 ZINC000735964612 598292824 /nfs/dbraw/zinc/29/28/24/598292824.db2.gz AYQYZIJJAZQUTL-UHFFFAOYSA-N -1 3 382.388 0.828 20 0 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O=C(COc1ccccc1-c1nn[n-]n1)N1CCCN(c2cccnn2)CC1 ZINC000737924612 598342074 /nfs/dbraw/zinc/34/20/74/598342074.db2.gz HCARHIFTWHMJKK-UHFFFAOYSA-N -1 3 380.412 0.774 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN(C[C@H](C)O)[C@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737549239 598344367 /nfs/dbraw/zinc/34/43/67/598344367.db2.gz UCZUSDVZZOFOJP-MDZLAQPJSA-N -1 3 391.476 0.790 20 0 GCADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736284790 598344432 /nfs/dbraw/zinc/34/44/32/598344432.db2.gz GEBMXYZBCFBKTH-WMLDXEAASA-N -1 3 385.472 0.344 20 0 GCADHM Fc1ccc(-c2nn[n-]n2)cc1CN1CCN(c2ccc3nncn3n2)CC1 ZINC000737648811 598344594 /nfs/dbraw/zinc/34/45/94/598344594.db2.gz JESUJMLCZMPFLA-UHFFFAOYSA-N -1 3 380.391 0.766 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC000736290074 598344925 /nfs/dbraw/zinc/34/49/25/598344925.db2.gz ZQFSOMPFNIIFTL-OLZOCXBDSA-N -1 3 391.501 0.405 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC000736290074 598344926 /nfs/dbraw/zinc/34/49/26/598344926.db2.gz ZQFSOMPFNIIFTL-OLZOCXBDSA-N -1 3 391.501 0.405 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN(C[C@H](C)O)[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737549232 598345003 /nfs/dbraw/zinc/34/50/03/598345003.db2.gz UCZUSDVZZOFOJP-GVXVVHGQSA-N -1 3 391.476 0.790 20 0 GCADHM CN1CCN(C[C@@H]2CN(C(=O)c3sccc3-c3nnn[n-]3)CCO2)CC1 ZINC000736865108 598345055 /nfs/dbraw/zinc/34/50/55/598345055.db2.gz VEZVWXQZPVZQHF-GFCCVEGCSA-N -1 3 377.474 0.017 20 0 GCADHM CN(C)c1nc(COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)ns1 ZINC000821590704 607352506 /nfs/dbraw/zinc/35/25/06/607352506.db2.gz BLOJZJYETMCCAN-UHFFFAOYSA-N -1 3 388.413 0.257 20 0 GCADHM CN(C)c1nc(COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)ns1 ZINC000821590704 607352508 /nfs/dbraw/zinc/35/25/08/607352508.db2.gz BLOJZJYETMCCAN-UHFFFAOYSA-N -1 3 388.413 0.257 20 0 GCADHM CCS(=O)(=O)CCN1CCCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736655296 598348923 /nfs/dbraw/zinc/34/89/23/598348923.db2.gz AUNBEZPYZPRWJZ-UHFFFAOYSA-N -1 3 378.502 0.809 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000735563352 598352567 /nfs/dbraw/zinc/35/25/67/598352567.db2.gz TYDIVUKFEZJEFS-QWHCGFSZSA-N -1 3 383.416 0.186 20 0 GCADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000735563352 598352569 /nfs/dbraw/zinc/35/25/69/598352569.db2.gz TYDIVUKFEZJEFS-QWHCGFSZSA-N -1 3 383.416 0.186 20 0 GCADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CN1CCO[C@H](Cn2cccn2)C1 ZINC000738389725 598354298 /nfs/dbraw/zinc/35/42/98/598354298.db2.gz ZNXBPWKLVDUZKR-RDJZCZTQSA-N -1 3 385.428 0.204 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509289 598355520 /nfs/dbraw/zinc/35/55/20/598355520.db2.gz DNWQEHRSYJDNJE-GFCCVEGCSA-N -1 3 382.471 0.409 20 0 GCADHM CCN(C)C(=O)[C@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509289 598355522 /nfs/dbraw/zinc/35/55/22/598355522.db2.gz DNWQEHRSYJDNJE-GFCCVEGCSA-N -1 3 382.471 0.409 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509290 598355935 /nfs/dbraw/zinc/35/59/35/598355935.db2.gz DNWQEHRSYJDNJE-LBPRGKRZSA-N -1 3 382.471 0.409 20 0 GCADHM CCN(C)C(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509290 598355937 /nfs/dbraw/zinc/35/59/37/598355937.db2.gz DNWQEHRSYJDNJE-LBPRGKRZSA-N -1 3 382.471 0.409 20 0 GCADHM Cc1nnc(CN2CCN(Cc3cn4ccccc4c3-c3nnn[n-]3)CC2)n1C ZINC000737520200 598357703 /nfs/dbraw/zinc/35/77/03/598357703.db2.gz FRRZKXDLMPGHDN-UHFFFAOYSA-N -1 3 392.471 0.874 20 0 GCADHM Cc1nnc(CN2CCN(Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)n1C ZINC000737520200 598357706 /nfs/dbraw/zinc/35/77/06/598357706.db2.gz FRRZKXDLMPGHDN-UHFFFAOYSA-N -1 3 392.471 0.874 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCOCC1CC1 ZINC000737894499 598361025 /nfs/dbraw/zinc/36/10/25/598361025.db2.gz FMAGNMUPFVQXDN-UHFFFAOYSA-N -1 3 394.457 0.078 20 0 GCADHM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCOCC1CC1 ZINC000737894499 598361027 /nfs/dbraw/zinc/36/10/27/598361027.db2.gz FMAGNMUPFVQXDN-UHFFFAOYSA-N -1 3 394.457 0.078 20 0 GCADHM O=C(CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)NCCCOCC1CC1 ZINC000737895230 598361380 /nfs/dbraw/zinc/36/13/80/598361380.db2.gz NRMGOQGFRNMQMS-UHFFFAOYSA-N -1 3 394.457 0.078 20 0 GCADHM O=C(CN1Cc2ccccc2C1=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737884593 598361309 /nfs/dbraw/zinc/36/13/09/598361309.db2.gz PAIXAPNGGMDQIH-UHFFFAOYSA-N -1 3 378.396 0.446 20 0 GCADHM O=C(CN1Cc2ccccc2C1=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737884593 598361310 /nfs/dbraw/zinc/36/13/10/598361310.db2.gz PAIXAPNGGMDQIH-UHFFFAOYSA-N -1 3 378.396 0.446 20 0 GCADHM O=C(CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)NCCCOCC1CC1 ZINC000737895230 598361381 /nfs/dbraw/zinc/36/13/81/598361381.db2.gz NRMGOQGFRNMQMS-UHFFFAOYSA-N -1 3 394.457 0.078 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC(C2OCCO2)CC1 ZINC000738073933 598362177 /nfs/dbraw/zinc/36/21/77/598362177.db2.gz DLBVGYFPEOVBBS-UHFFFAOYSA-N -1 3 388.432 0.468 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC(C2OCCO2)CC1 ZINC000738073933 598362179 /nfs/dbraw/zinc/36/21/79/598362179.db2.gz DLBVGYFPEOVBBS-UHFFFAOYSA-N -1 3 388.432 0.468 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCc1nccn1C(F)F ZINC000738084001 598362279 /nfs/dbraw/zinc/36/22/79/598362279.db2.gz YGMJPPCTQGYGSS-UHFFFAOYSA-N -1 3 378.347 0.765 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCc1nccn1C(F)F ZINC000738084001 598362280 /nfs/dbraw/zinc/36/22/80/598362280.db2.gz YGMJPPCTQGYGSS-UHFFFAOYSA-N -1 3 378.347 0.765 20 0 GCADHM Cc1noc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2)n1 ZINC000737533844 598363695 /nfs/dbraw/zinc/36/36/95/598363695.db2.gz GBIDRONWTIWBJJ-LBPRGKRZSA-N -1 3 382.384 0.903 20 0 GCADHM Cc1noc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2)n1 ZINC000737533844 598363697 /nfs/dbraw/zinc/36/36/97/598363697.db2.gz GBIDRONWTIWBJJ-LBPRGKRZSA-N -1 3 382.384 0.903 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(C[C@H](O)COc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000736774661 598364338 /nfs/dbraw/zinc/36/43/38/598364338.db2.gz WSEOXECQKJMWJH-HNNXBMFYSA-N -1 3 396.455 0.521 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(CC(=O)NCc1ccc(-c3nnn[n-]3)cc1)C2 ZINC000736772755 598364492 /nfs/dbraw/zinc/36/44/92/598364492.db2.gz HMNOMLDQJWPLLC-UHFFFAOYSA-N -1 3 393.455 0.397 20 0 GCADHM CN(C)c1cc2c(nn1)CCN(CC(=O)NCc1ccc(-c3nn[n-]n3)cc1)C2 ZINC000736772755 598364494 /nfs/dbraw/zinc/36/44/94/598364494.db2.gz HMNOMLDQJWPLLC-UHFFFAOYSA-N -1 3 393.455 0.397 20 0 GCADHM Cc1noc([C@H](C)N2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000737534409 598367294 /nfs/dbraw/zinc/36/72/94/598367294.db2.gz OBQOZQVIFRFKIE-LBPRGKRZSA-N -1 3 397.443 0.875 20 0 GCADHM Cc1noc([C@H](C)N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000737534409 598367296 /nfs/dbraw/zinc/36/72/96/598367296.db2.gz OBQOZQVIFRFKIE-LBPRGKRZSA-N -1 3 397.443 0.875 20 0 GCADHM Cc1cnn(C[C@H]2CN(C[C@H](O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737441703 598367991 /nfs/dbraw/zinc/36/79/91/598367991.db2.gz AGCJMLCVHHPELA-FUHWJXTLSA-N -1 3 399.455 0.512 20 0 GCADHM Cn1cc(CCCNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000737606175 598369787 /nfs/dbraw/zinc/36/97/87/598369787.db2.gz YYYDINHFWTYLTR-UHFFFAOYSA-N -1 3 396.459 0.460 20 0 GCADHM Cn1cc(CCCNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000737606175 598369789 /nfs/dbraw/zinc/36/97/89/598369789.db2.gz YYYDINHFWTYLTR-UHFFFAOYSA-N -1 3 396.459 0.460 20 0 GCADHM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736987474 598370075 /nfs/dbraw/zinc/37/00/75/598370075.db2.gz CWLSKHFQFRLSSS-QMMMGPOBSA-N -1 3 388.837 0.031 20 0 GCADHM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736987474 598370077 /nfs/dbraw/zinc/37/00/77/598370077.db2.gz CWLSKHFQFRLSSS-QMMMGPOBSA-N -1 3 388.837 0.031 20 0 GCADHM CNC(=O)C1(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000736872090 598371153 /nfs/dbraw/zinc/37/11/53/598371153.db2.gz WSXZRSBNAHCPSL-UHFFFAOYSA-N -1 3 392.803 0.918 20 0 GCADHM CNC(=O)C1(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000736872090 598371154 /nfs/dbraw/zinc/37/11/54/598371154.db2.gz WSXZRSBNAHCPSL-UHFFFAOYSA-N -1 3 392.803 0.918 20 0 GCADHM CNC(=O)C1(C(=O)OCC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)CCC1 ZINC000736869066 598371400 /nfs/dbraw/zinc/37/14/00/598371400.db2.gz AZJIOKGXPPVMHE-UHFFFAOYSA-N -1 3 376.373 0.475 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)N1CCCNC(=O)C1 ZINC000738304000 598373224 /nfs/dbraw/zinc/37/32/24/598373224.db2.gz UKKXKBIZDAWGQW-UHFFFAOYSA-N -1 3 375.458 0.631 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)N1CCCNC(=O)C1 ZINC000738304000 598373225 /nfs/dbraw/zinc/37/32/25/598373225.db2.gz UKKXKBIZDAWGQW-UHFFFAOYSA-N -1 3 375.458 0.631 20 0 GCADHM O=C(COc1cccnc1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737931832 598374492 /nfs/dbraw/zinc/37/44/92/598374492.db2.gz XTLRJGIHVOKUOL-UHFFFAOYSA-N -1 3 379.424 0.985 20 0 GCADHM CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccncc1-c1nnn[n-]1)C2=O ZINC000736394286 598379910 /nfs/dbraw/zinc/37/99/10/598379910.db2.gz AXLBNRCGCITBQT-UHFFFAOYSA-N -1 3 398.427 0.513 20 0 GCADHM CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccncc1-c1nn[n-]n1)C2=O ZINC000736394286 598379913 /nfs/dbraw/zinc/37/99/13/598379913.db2.gz AXLBNRCGCITBQT-UHFFFAOYSA-N -1 3 398.427 0.513 20 0 GCADHM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccncc1-c1nnn[n-]1)C2=O ZINC000736262948 598381289 /nfs/dbraw/zinc/38/12/89/598381289.db2.gz OHDZUTLVMQGYJP-BTDLBPIBSA-N -1 3 384.400 0.123 20 0 GCADHM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccncc1-c1nn[n-]n1)C2=O ZINC000736262948 598381291 /nfs/dbraw/zinc/38/12/91/598381291.db2.gz OHDZUTLVMQGYJP-BTDLBPIBSA-N -1 3 384.400 0.123 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccncc2-c2nnn[n-]2)no1 ZINC000737272725 598381790 /nfs/dbraw/zinc/38/17/90/598381790.db2.gz YGPMZWZUGNOUNI-SECBINFHSA-N -1 3 388.413 0.679 20 0 GCADHM Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccncc2-c2nn[n-]n2)no1 ZINC000737272725 598381792 /nfs/dbraw/zinc/38/17/92/598381792.db2.gz YGPMZWZUGNOUNI-SECBINFHSA-N -1 3 388.413 0.679 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(Cc2nccn2C)CC1 ZINC000735560778 598382420 /nfs/dbraw/zinc/38/24/20/598382420.db2.gz HBMRESSSLLBXNA-CQSZACIVSA-N -1 3 395.471 0.745 20 0 GCADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(Cc2nccn2C)CC1 ZINC000735560778 598382422 /nfs/dbraw/zinc/38/24/22/598382422.db2.gz HBMRESSSLLBXNA-CQSZACIVSA-N -1 3 395.471 0.745 20 0 GCADHM Cc1ccn(-c2ccc(N3CCN(c4cc(-c5nnn[n-]5)ccn4)CC3)nn2)n1 ZINC000737437776 598385204 /nfs/dbraw/zinc/38/52/04/598385204.db2.gz XGFFFVDQFWLFFG-UHFFFAOYSA-N -1 3 389.427 0.872 20 0 GCADHM Cc1ccn(-c2ccc(N3CCN(c4cc(-c5nn[n-]n5)ccn4)CC3)nn2)n1 ZINC000737437776 598385205 /nfs/dbraw/zinc/38/52/05/598385205.db2.gz XGFFFVDQFWLFFG-UHFFFAOYSA-N -1 3 389.427 0.872 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC[C@@H]1COc2ccccc2O1 ZINC000737889226 598399315 /nfs/dbraw/zinc/39/93/15/598399315.db2.gz KXTGLVYBJPUQIR-CQSZACIVSA-N -1 3 394.391 0.553 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC[C@@H]1COc2ccccc2O1 ZINC000737889226 598399317 /nfs/dbraw/zinc/39/93/17/598399317.db2.gz KXTGLVYBJPUQIR-CQSZACIVSA-N -1 3 394.391 0.553 20 0 GCADHM CCCNC(=O)C1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736481405 598399585 /nfs/dbraw/zinc/39/95/85/598399585.db2.gz PYLVNJVDCRHSJB-UHFFFAOYSA-N -1 3 399.455 0.361 20 0 GCADHM CCCNC(=O)C1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736481405 598399586 /nfs/dbraw/zinc/39/95/86/598399586.db2.gz PYLVNJVDCRHSJB-UHFFFAOYSA-N -1 3 399.455 0.361 20 0 GCADHM CNC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736881982 598399845 /nfs/dbraw/zinc/39/98/45/598399845.db2.gz MPMYCFJCEDNAEZ-UHFFFAOYSA-N -1 3 379.380 0.595 20 0 GCADHM CNC(=O)c1cccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736881982 598399846 /nfs/dbraw/zinc/39/98/46/598399846.db2.gz MPMYCFJCEDNAEZ-UHFFFAOYSA-N -1 3 379.380 0.595 20 0 GCADHM NC(=O)COc1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737754487 598400506 /nfs/dbraw/zinc/40/05/06/598400506.db2.gz WMGIDSJFZZZBAF-UHFFFAOYSA-N -1 3 395.379 0.099 20 0 GCADHM NC(=O)COc1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737754487 598400507 /nfs/dbraw/zinc/40/05/07/598400507.db2.gz WMGIDSJFZZZBAF-UHFFFAOYSA-N -1 3 395.379 0.099 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1ccc(-n2ccnc2)nc1 ZINC000737889614 598400581 /nfs/dbraw/zinc/40/05/81/598400581.db2.gz NEGYEPAHWTXPCC-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1ccc(-n2ccnc2)nc1 ZINC000737889614 598400583 /nfs/dbraw/zinc/40/05/83/598400583.db2.gz NEGYEPAHWTXPCC-UHFFFAOYSA-N -1 3 389.379 0.816 20 0 GCADHM Cc1nn(C)c(NC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737512108 598400720 /nfs/dbraw/zinc/40/07/20/598400720.db2.gz RSWLODOGURPGMP-UHFFFAOYSA-N -1 3 389.441 0.771 20 0 GCADHM Cc1nn(C)c(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737512108 598400721 /nfs/dbraw/zinc/40/07/21/598400721.db2.gz RSWLODOGURPGMP-UHFFFAOYSA-N -1 3 389.441 0.771 20 0 GCADHM COc1ccc([C@@H](O)CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737076875 598401400 /nfs/dbraw/zinc/40/14/00/598401400.db2.gz SLAQPYAXDJNVNL-INIZCTEOSA-N -1 3 396.407 0.455 20 0 GCADHM COc1ccc([C@@H](O)CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737076875 598401402 /nfs/dbraw/zinc/40/14/02/598401402.db2.gz SLAQPYAXDJNVNL-INIZCTEOSA-N -1 3 396.407 0.455 20 0 GCADHM COCCN(Cc1ccco1)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737006786 598401458 /nfs/dbraw/zinc/40/14/58/598401458.db2.gz JGXVMSUPKTVMLR-UHFFFAOYSA-N -1 3 384.396 0.865 20 0 GCADHM COCCN(Cc1ccco1)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737006786 598401459 /nfs/dbraw/zinc/40/14/59/598401459.db2.gz JGXVMSUPKTVMLR-UHFFFAOYSA-N -1 3 384.396 0.865 20 0 GCADHM COc1cccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1OC ZINC000737130558 598401638 /nfs/dbraw/zinc/40/16/38/598401638.db2.gz GMLSQNLWVADJPP-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM COc1cccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1OC ZINC000737130558 598401640 /nfs/dbraw/zinc/40/16/40/598401640.db2.gz GMLSQNLWVADJPP-UHFFFAOYSA-N -1 3 396.407 0.930 20 0 GCADHM Cn1ncc2c1CCC[C@H]2NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737626401 598402203 /nfs/dbraw/zinc/40/22/03/598402203.db2.gz BQPOAECIEYOBOV-CQSZACIVSA-N -1 3 380.412 0.524 20 0 GCADHM Cn1ncc2c1CCC[C@H]2NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737626401 598402204 /nfs/dbraw/zinc/40/22/04/598402204.db2.gz BQPOAECIEYOBOV-CQSZACIVSA-N -1 3 380.412 0.524 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCCOCC(F)(F)F ZINC000737889706 598402271 /nfs/dbraw/zinc/40/22/71/598402271.db2.gz PGKWKXHAWZYSBK-UHFFFAOYSA-N -1 3 386.334 0.682 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCCOCC(F)(F)F ZINC000737889706 598402273 /nfs/dbraw/zinc/40/22/73/598402273.db2.gz PGKWKXHAWZYSBK-UHFFFAOYSA-N -1 3 386.334 0.682 20 0 GCADHM Cc1nc(SCC(=O)N2CCNC(=O)[C@@H]2C)c(-c2nnn[n-]2)c(C)c1C ZINC000737484439 598402358 /nfs/dbraw/zinc/40/23/58/598402358.db2.gz TUFDVDPBZHBPSZ-NSHDSACASA-N -1 3 375.458 0.626 20 0 GCADHM Cc1nc(SCC(=O)N2CCNC(=O)[C@@H]2C)c(-c2nn[n-]n2)c(C)c1C ZINC000737484439 598402359 /nfs/dbraw/zinc/40/23/59/598402359.db2.gz TUFDVDPBZHBPSZ-NSHDSACASA-N -1 3 375.458 0.626 20 0 GCADHM CCNC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736577281 598402580 /nfs/dbraw/zinc/40/25/80/598402580.db2.gz FIJCGVFNJJSTLA-UHFFFAOYSA-N -1 3 393.407 0.985 20 0 GCADHM CCNC(=O)c1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736577281 598402582 /nfs/dbraw/zinc/40/25/82/598402582.db2.gz FIJCGVFNJJSTLA-UHFFFAOYSA-N -1 3 393.407 0.985 20 0 GCADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000737546247 598402636 /nfs/dbraw/zinc/40/26/36/598402636.db2.gz BWPSLHMAYHVZOI-CYBMUJFWSA-N -1 3 398.471 0.925 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(n2cccn2)CC1 ZINC000738039977 598403925 /nfs/dbraw/zinc/40/39/25/598403925.db2.gz QNEWEQPXYFAUDU-UHFFFAOYSA-N -1 3 380.412 0.657 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(n2cccn2)CC1 ZINC000738039977 598403926 /nfs/dbraw/zinc/40/39/26/598403926.db2.gz QNEWEQPXYFAUDU-UHFFFAOYSA-N -1 3 380.412 0.657 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCOc1cccc(F)c1 ZINC000737890117 598405040 /nfs/dbraw/zinc/40/50/40/598405040.db2.gz SLVNSPKXDIGHCZ-UHFFFAOYSA-N -1 3 384.371 0.931 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCOc1cccc(F)c1 ZINC000737890117 598405042 /nfs/dbraw/zinc/40/50/42/598405042.db2.gz SLVNSPKXDIGHCZ-UHFFFAOYSA-N -1 3 384.371 0.931 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735685704 598406164 /nfs/dbraw/zinc/40/61/64/598406164.db2.gz YTYDBGCBXQKCIG-OAHLLOKOSA-N -1 3 399.455 0.360 20 0 GCADHM CC(C)C(=O)N[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735685704 598406165 /nfs/dbraw/zinc/40/61/65/598406165.db2.gz YTYDBGCBXQKCIG-OAHLLOKOSA-N -1 3 399.455 0.360 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCN1Cc2ccccc2C1 ZINC000737889324 598406575 /nfs/dbraw/zinc/40/65/75/598406575.db2.gz LRFQCBPGHQACKY-UHFFFAOYSA-N -1 3 391.435 0.729 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCN1Cc2ccccc2C1 ZINC000737889324 598406577 /nfs/dbraw/zinc/40/65/77/598406577.db2.gz LRFQCBPGHQACKY-UHFFFAOYSA-N -1 3 391.435 0.729 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(C2OCCO2)CC1 ZINC000738040801 598407051 /nfs/dbraw/zinc/40/70/51/598407051.db2.gz WPCVLSFZHSIOGM-UHFFFAOYSA-N -1 3 386.412 0.208 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(C2OCCO2)CC1 ZINC000738040801 598407053 /nfs/dbraw/zinc/40/70/53/598407053.db2.gz WPCVLSFZHSIOGM-UHFFFAOYSA-N -1 3 386.412 0.208 20 0 GCADHM CC(C)N(C(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000735851467 598409197 /nfs/dbraw/zinc/40/91/97/598409197.db2.gz WKSAHTUIIDSWCJ-UHFFFAOYSA-N -1 3 388.428 0.785 20 0 GCADHM CC(C)N(C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000735851467 598409198 /nfs/dbraw/zinc/40/91/98/598409198.db2.gz WKSAHTUIIDSWCJ-UHFFFAOYSA-N -1 3 388.428 0.785 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736305764 598410152 /nfs/dbraw/zinc/41/01/52/598410152.db2.gz VXRKMUZYVQBUBX-GFCCVEGCSA-N -1 3 390.425 0.660 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736305764 598410153 /nfs/dbraw/zinc/41/01/53/598410153.db2.gz VXRKMUZYVQBUBX-GFCCVEGCSA-N -1 3 390.425 0.660 20 0 GCADHM COC(=O)c1ccoc1COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736956627 598410896 /nfs/dbraw/zinc/41/08/96/598410896.db2.gz GPZNXFYHXYOUJP-UHFFFAOYSA-N -1 3 385.336 0.720 20 0 GCADHM COC(=O)c1ccoc1COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736956627 598410897 /nfs/dbraw/zinc/41/08/97/598410897.db2.gz GPZNXFYHXYOUJP-UHFFFAOYSA-N -1 3 385.336 0.720 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCC(=O)N1CCCCCC1 ZINC000737890711 598411532 /nfs/dbraw/zinc/41/15/32/598411532.db2.gz XHUXZKNBAPMAPW-UHFFFAOYSA-N -1 3 386.412 0.542 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCC(=O)N1CCCCCC1 ZINC000737890711 598411533 /nfs/dbraw/zinc/41/15/33/598411533.db2.gz XHUXZKNBAPMAPW-UHFFFAOYSA-N -1 3 386.412 0.542 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NC(C1CC1)C1CC1 ZINC000737905783 598412506 /nfs/dbraw/zinc/41/25/06/598412506.db2.gz WICYZTVDIITQJC-UHFFFAOYSA-N -1 3 398.423 0.445 20 0 GCADHM O=C(COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NC(C1CC1)C1CC1 ZINC000737905783 598412508 /nfs/dbraw/zinc/41/25/08/598412508.db2.gz WICYZTVDIITQJC-UHFFFAOYSA-N -1 3 398.423 0.445 20 0 GCADHM Cc1cc(=O)n2nc(COC(=O)COc3ccc(-c4nn[n-]n4)cc3)sc2n1 ZINC000737225879 598414789 /nfs/dbraw/zinc/41/47/89/598414789.db2.gz JVRBRTSVGZHJRF-UHFFFAOYSA-N -1 3 399.392 0.762 20 0 GCADHM O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737984818 598415450 /nfs/dbraw/zinc/41/54/50/598415450.db2.gz GUTYFNRQSFSWSK-UHFFFAOYSA-N -1 3 397.786 0.901 20 0 GCADHM O=C(Cn1nnn(-c2ccccc2)c1=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737984818 598415452 /nfs/dbraw/zinc/41/54/52/598415452.db2.gz GUTYFNRQSFSWSK-UHFFFAOYSA-N -1 3 397.786 0.901 20 0 GCADHM Cc1cc(CN2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737264373 598415618 /nfs/dbraw/zinc/41/56/18/598415618.db2.gz ZQZBREFCUGZAAQ-UHFFFAOYSA-N -1 3 382.428 0.919 20 0 GCADHM O=C(Cn1ncc2ccccc21)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737985269 598421641 /nfs/dbraw/zinc/42/16/41/598421641.db2.gz LYOUBBFFTMIUKF-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM O=C(Cn1ncc2ccccc21)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737985269 598421642 /nfs/dbraw/zinc/42/16/42/598421642.db2.gz LYOUBBFFTMIUKF-UHFFFAOYSA-N -1 3 389.423 0.960 20 0 GCADHM Cc1cc(C)c(-c2nnn[n-]2)c(NCCS(=O)(=O)N2CCSCC2)n1 ZINC000737242007 598426005 /nfs/dbraw/zinc/42/60/05/598426005.db2.gz UEGYQWANZPPTDE-UHFFFAOYSA-N -1 3 383.503 0.669 20 0 GCADHM Cc1cc(C)c(-c2nn[n-]n2)c(NCCS(=O)(=O)N2CCSCC2)n1 ZINC000737242007 598426007 /nfs/dbraw/zinc/42/60/07/598426007.db2.gz UEGYQWANZPPTDE-UHFFFAOYSA-N -1 3 383.503 0.669 20 0 GCADHM CC(C)OC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735891955 598432174 /nfs/dbraw/zinc/43/21/74/598432174.db2.gz AUIHKJLJECOTGS-UHFFFAOYSA-N -1 3 384.400 0.706 20 0 GCADHM CC(C)OC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735891955 598432177 /nfs/dbraw/zinc/43/21/77/598432177.db2.gz AUIHKJLJECOTGS-UHFFFAOYSA-N -1 3 384.400 0.706 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738128477 598433713 /nfs/dbraw/zinc/43/37/13/598433713.db2.gz CSZGTIGURFSTQZ-UHFFFAOYSA-N -1 3 390.367 0.097 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738128477 598433715 /nfs/dbraw/zinc/43/37/15/598433715.db2.gz CSZGTIGURFSTQZ-UHFFFAOYSA-N -1 3 390.367 0.097 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000738128497 598434169 /nfs/dbraw/zinc/43/41/69/598434169.db2.gz DPNWPNWHKFCUHS-UHFFFAOYSA-N -1 3 390.367 0.097 20 0 GCADHM O=C(NCc1nnnn1-c1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000738128497 598434171 /nfs/dbraw/zinc/43/41/71/598434171.db2.gz DPNWPNWHKFCUHS-UHFFFAOYSA-N -1 3 390.367 0.097 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736328441 598434387 /nfs/dbraw/zinc/43/43/87/598434387.db2.gz WYCAXWMDLNUKHO-LLVKDONJSA-N -1 3 397.443 0.669 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736328441 598434389 /nfs/dbraw/zinc/43/43/89/598434389.db2.gz WYCAXWMDLNUKHO-LLVKDONJSA-N -1 3 397.443 0.669 20 0 GCADHM CC[C@H](C)NC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736328444 598434487 /nfs/dbraw/zinc/43/44/87/598434487.db2.gz WYCAXWMDLNUKHO-NSHDSACASA-N -1 3 397.443 0.669 20 0 GCADHM CC[C@H](C)NC(=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736328444 598434489 /nfs/dbraw/zinc/43/44/89/598434489.db2.gz WYCAXWMDLNUKHO-NSHDSACASA-N -1 3 397.443 0.669 20 0 GCADHM C[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)NC(C)(C)C ZINC000736116477 598435608 /nfs/dbraw/zinc/43/56/08/598435608.db2.gz APPGYCRTEWORRJ-JTQLQIEISA-N -1 3 397.443 0.668 20 0 GCADHM C[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)NC(C)(C)C ZINC000736116477 598435610 /nfs/dbraw/zinc/43/56/10/598435610.db2.gz APPGYCRTEWORRJ-JTQLQIEISA-N -1 3 397.443 0.668 20 0 GCADHM Cc1noc(CCNC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)n1 ZINC000737534866 598436823 /nfs/dbraw/zinc/43/68/23/598436823.db2.gz NPOCPWDFNIURHG-UHFFFAOYSA-N -1 3 380.372 0.299 20 0 GCADHM Cc1noc(CCNC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)n1 ZINC000737534866 598436825 /nfs/dbraw/zinc/43/68/25/598436825.db2.gz NPOCPWDFNIURHG-UHFFFAOYSA-N -1 3 380.372 0.299 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000736906924 598437976 /nfs/dbraw/zinc/43/79/76/598437976.db2.gz ACCYYMNAERZINN-LBPRGKRZSA-N -1 3 396.411 0.660 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000736906924 598437978 /nfs/dbraw/zinc/43/79/78/598437978.db2.gz ACCYYMNAERZINN-LBPRGKRZSA-N -1 3 396.411 0.660 20 0 GCADHM COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736930406 598439401 /nfs/dbraw/zinc/43/94/01/598439401.db2.gz DSJNMOBBBUXIGJ-UHFFFAOYSA-N -1 3 381.352 0.417 20 0 GCADHM COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736930406 598439403 /nfs/dbraw/zinc/43/94/03/598439403.db2.gz DSJNMOBBBUXIGJ-UHFFFAOYSA-N -1 3 381.352 0.417 20 0 GCADHM S=C(NC[C@H]1CCCO1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738400519 598441583 /nfs/dbraw/zinc/44/15/83/598441583.db2.gz FTTLMPHLRISLEK-CQSZACIVSA-N -1 3 388.501 0.874 20 0 GCADHM S=C(NC[C@H]1CCCO1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738400519 598441584 /nfs/dbraw/zinc/44/15/84/598441584.db2.gz FTTLMPHLRISLEK-CQSZACIVSA-N -1 3 388.501 0.874 20 0 GCADHM O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738246699 598441697 /nfs/dbraw/zinc/44/16/97/598441697.db2.gz JTXZONRCQUAJIB-UHFFFAOYSA-N -1 3 380.364 0.953 20 0 GCADHM O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738246699 598441699 /nfs/dbraw/zinc/44/16/99/598441699.db2.gz JTXZONRCQUAJIB-UHFFFAOYSA-N -1 3 380.364 0.953 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCNC(=O)OC ZINC000737002132 598443076 /nfs/dbraw/zinc/44/30/76/598443076.db2.gz KLQVUQIUYJCWEP-UHFFFAOYSA-N -1 3 376.417 0.978 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCNC(=O)OC ZINC000737002132 598443078 /nfs/dbraw/zinc/44/30/78/598443078.db2.gz KLQVUQIUYJCWEP-UHFFFAOYSA-N -1 3 376.417 0.978 20 0 GCADHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000737792245 598447540 /nfs/dbraw/zinc/44/75/40/598447540.db2.gz OLNQTXNPUMEWRT-INIZCTEOSA-N -1 3 384.440 0.649 20 0 GCADHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000737792245 598447541 /nfs/dbraw/zinc/44/75/41/598447541.db2.gz OLNQTXNPUMEWRT-INIZCTEOSA-N -1 3 384.440 0.649 20 0 GCADHM O=C(C=Cc1cnccn1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737808398 598449194 /nfs/dbraw/zinc/44/91/94/598449194.db2.gz RSVCEWSWOLVEEA-RQOWECAXSA-N -1 3 377.412 0.850 20 0 GCADHM O=C(C=Cc1cnccn1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737808398 598449196 /nfs/dbraw/zinc/44/91/96/598449196.db2.gz RSVCEWSWOLVEEA-RQOWECAXSA-N -1 3 377.412 0.850 20 0 GCADHM CNC(=O)[C@H]1CN(CC(=O)Nc2sccc2-c2nnn[n-]2)c2ccccc2O1 ZINC000736871417 598451744 /nfs/dbraw/zinc/45/17/44/598451744.db2.gz STJXGSUOCXJOBK-CYBMUJFWSA-N -1 3 399.436 0.880 20 0 GCADHM CNC(=O)[C@H]1CN(CC(=O)Nc2sccc2-c2nn[n-]n2)c2ccccc2O1 ZINC000736871417 598451746 /nfs/dbraw/zinc/45/17/46/598451746.db2.gz STJXGSUOCXJOBK-CYBMUJFWSA-N -1 3 399.436 0.880 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cn1)Nc1ccc(-n2cncn2)cc1 ZINC000737891123 598452204 /nfs/dbraw/zinc/45/22/04/598452204.db2.gz GTYSYIFHUQVYHO-UHFFFAOYSA-N -1 3 390.367 0.211 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cn1)Nc1ccc(-n2cncn2)cc1 ZINC000737891123 598452205 /nfs/dbraw/zinc/45/22/05/598452205.db2.gz GTYSYIFHUQVYHO-UHFFFAOYSA-N -1 3 390.367 0.211 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cc2cscn2)CC1 ZINC000738347530 598452363 /nfs/dbraw/zinc/45/23/63/598452363.db2.gz KAPPEMSDLYKMES-UHFFFAOYSA-N -1 3 391.482 0.830 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cc2cscn2)CC1 ZINC000738347530 598452364 /nfs/dbraw/zinc/45/23/64/598452364.db2.gz KAPPEMSDLYKMES-UHFFFAOYSA-N -1 3 391.482 0.830 20 0 GCADHM COC(=O)NCCCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736939516 598452641 /nfs/dbraw/zinc/45/26/41/598452641.db2.gz ZMYKUKUDSGVZQJ-UHFFFAOYSA-N -1 3 388.432 0.483 20 0 GCADHM COC(=O)NCCCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736939516 598452642 /nfs/dbraw/zinc/45/26/42/598452642.db2.gz ZMYKUKUDSGVZQJ-UHFFFAOYSA-N -1 3 388.432 0.483 20 0 GCADHM Cc1cc(CN2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000737261048 598452705 /nfs/dbraw/zinc/45/27/05/598452705.db2.gz ACWYVSCPRWRMNT-UHFFFAOYSA-N -1 3 389.441 0.670 20 0 GCADHM Cc1cc(CN2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000737261048 598452707 /nfs/dbraw/zinc/45/27/07/598452707.db2.gz ACWYVSCPRWRMNT-UHFFFAOYSA-N -1 3 389.441 0.670 20 0 GCADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CSC[C@@H]1C(=O)N(C)C ZINC000736171173 598453267 /nfs/dbraw/zinc/45/32/67/598453267.db2.gz UJUGJPLRQPFBCI-ZWNOBZJWSA-N -1 3 376.442 0.624 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)n1)N1CCCCCC1 ZINC000738209736 598453502 /nfs/dbraw/zinc/45/35/02/598453502.db2.gz RZPPLGCUVHMTJN-UHFFFAOYSA-N -1 3 396.415 0.508 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)n1)N1CCCCCC1 ZINC000738209736 598453504 /nfs/dbraw/zinc/45/35/04/598453504.db2.gz RZPPLGCUVHMTJN-UHFFFAOYSA-N -1 3 396.415 0.508 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cn2cccnc2n1 ZINC000738037544 598456886 /nfs/dbraw/zinc/45/68/86/598456886.db2.gz XAYMYRRHUYGKQE-UHFFFAOYSA-N -1 3 390.411 0.703 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cn2cccnc2n1 ZINC000738037544 598456887 /nfs/dbraw/zinc/45/68/87/598456887.db2.gz XAYMYRRHUYGKQE-UHFFFAOYSA-N -1 3 390.411 0.703 20 0 GCADHM COC(=O)CSCCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736931497 598457835 /nfs/dbraw/zinc/45/78/35/598457835.db2.gz WWEZTHBIUYOALY-UHFFFAOYSA-N -1 3 391.457 0.207 20 0 GCADHM COC(=O)CSCCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736931497 598457837 /nfs/dbraw/zinc/45/78/37/598457837.db2.gz WWEZTHBIUYOALY-UHFFFAOYSA-N -1 3 391.457 0.207 20 0 GCADHM O=C(CN1CCCC[C@H]1C(=O)N1CCOCC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737877613 598463587 /nfs/dbraw/zinc/46/35/87/598463587.db2.gz NMNAXUVIBJHOTQ-INIZCTEOSA-N -1 3 399.455 0.519 20 0 GCADHM O=C(CN1CCCC[C@H]1C(=O)N1CCOCC1)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737877613 598463589 /nfs/dbraw/zinc/46/35/89/598463589.db2.gz NMNAXUVIBJHOTQ-INIZCTEOSA-N -1 3 399.455 0.519 20 0 GCADHM O=S(=O)(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cccnc1 ZINC000738344522 598464675 /nfs/dbraw/zinc/46/46/75/598464675.db2.gz XIOOFTXGCHWHNT-UHFFFAOYSA-N -1 3 386.441 0.604 20 0 GCADHM O=S(=O)(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cccnc1 ZINC000738344522 598464676 /nfs/dbraw/zinc/46/46/76/598464676.db2.gz XIOOFTXGCHWHNT-UHFFFAOYSA-N -1 3 386.441 0.604 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000735466703 598466704 /nfs/dbraw/zinc/46/67/04/598466704.db2.gz XCBUIHYWTUQKQC-UHFFFAOYSA-N -1 3 384.444 0.243 20 0 GCADHM CC(=O)N1CCN(C(=O)CCNc2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000735466703 598466707 /nfs/dbraw/zinc/46/67/07/598466707.db2.gz XCBUIHYWTUQKQC-UHFFFAOYSA-N -1 3 384.444 0.243 20 0 GCADHM CCNC(=O)[C@@H](C)NC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736573607 598470172 /nfs/dbraw/zinc/47/01/72/598470172.db2.gz LBFVJNOCOXXOND-LLVKDONJSA-N -1 3 387.448 0.054 20 0 GCADHM CCNC(=O)[C@@H](C)NC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736573607 598470174 /nfs/dbraw/zinc/47/01/74/598470174.db2.gz LBFVJNOCOXXOND-LLVKDONJSA-N -1 3 387.448 0.054 20 0 GCADHM Cc1noc(CCCNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000737534864 598470334 /nfs/dbraw/zinc/47/03/34/598470334.db2.gz NOVPPOIJOODEIQ-UHFFFAOYSA-N -1 3 398.431 0.418 20 0 GCADHM Cc1noc(CCCNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000737534864 598470335 /nfs/dbraw/zinc/47/03/35/598470335.db2.gz NOVPPOIJOODEIQ-UHFFFAOYSA-N -1 3 398.431 0.418 20 0 GCADHM CCn1nc(C)c(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736728335 598473347 /nfs/dbraw/zinc/47/33/47/598473347.db2.gz KQHCTNABFOTXGA-UHFFFAOYSA-N -1 3 382.428 0.746 20 0 GCADHM CCn1nc(C)c(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736728335 598473348 /nfs/dbraw/zinc/47/33/48/598473348.db2.gz KQHCTNABFOTXGA-UHFFFAOYSA-N -1 3 382.428 0.746 20 0 GCADHM COCCN1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C1 ZINC000737005532 598474421 /nfs/dbraw/zinc/47/44/21/598474421.db2.gz BVRUEFIZCZZZKZ-VIFPVBQESA-N -1 3 379.446 0.140 20 0 GCADHM COCCN1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)C1 ZINC000737005532 598474422 /nfs/dbraw/zinc/47/44/22/598474422.db2.gz BVRUEFIZCZZZKZ-VIFPVBQESA-N -1 3 379.446 0.140 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736910169 598474698 /nfs/dbraw/zinc/47/46/98/598474698.db2.gz NZPCHQJEIHEOAY-UWVGGRQHSA-N -1 3 379.760 0.811 20 0 GCADHM COC(=O)[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736910169 598474700 /nfs/dbraw/zinc/47/47/00/598474700.db2.gz NZPCHQJEIHEOAY-UWVGGRQHSA-N -1 3 379.760 0.811 20 0 GCADHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000819899332 607358100 /nfs/dbraw/zinc/35/81/00/607358100.db2.gz RXOQGDIRGBVUKE-NSHDSACASA-N -1 3 397.461 0.181 20 0 GCADHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000819899332 607358102 /nfs/dbraw/zinc/35/81/02/607358102.db2.gz RXOQGDIRGBVUKE-NSHDSACASA-N -1 3 397.461 0.181 20 0 GCADHM O=C(NCCn1ncnn1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823229138 607358171 /nfs/dbraw/zinc/35/81/71/607358171.db2.gz DUZVJTROVDFKRG-UHFFFAOYSA-N -1 3 378.356 0.471 20 0 GCADHM O=C(NCCn1ncnn1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823229138 607358173 /nfs/dbraw/zinc/35/81/73/607358173.db2.gz DUZVJTROVDFKRG-UHFFFAOYSA-N -1 3 378.356 0.471 20 0 GCADHM CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736753387 598477025 /nfs/dbraw/zinc/47/70/25/598477025.db2.gz JEWUMNVEBSZFFV-UHFFFAOYSA-N -1 3 395.379 0.759 20 0 GCADHM CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736753387 598477027 /nfs/dbraw/zinc/47/70/27/598477027.db2.gz JEWUMNVEBSZFFV-UHFFFAOYSA-N -1 3 395.379 0.759 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)Nc1ccc2c(c1)OCCO2 ZINC000737908996 598477111 /nfs/dbraw/zinc/47/71/11/598477111.db2.gz OSJJGEFAQCBROL-UHFFFAOYSA-N -1 3 382.336 0.828 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)Nc1ccc2c(c1)OCCO2 ZINC000737908996 598477113 /nfs/dbraw/zinc/47/71/13/598477113.db2.gz OSJJGEFAQCBROL-UHFFFAOYSA-N -1 3 382.336 0.828 20 0 GCADHM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1)C(=O)OC ZINC000736333203 598479489 /nfs/dbraw/zinc/47/94/89/598479489.db2.gz TYQSLACHHREDTC-TVQRCGJNSA-N -1 3 376.373 0.122 20 0 GCADHM CC[C@H](C)[C@@H](NC(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1)C(=O)OC ZINC000736333203 598479491 /nfs/dbraw/zinc/47/94/91/598479491.db2.gz TYQSLACHHREDTC-TVQRCGJNSA-N -1 3 376.373 0.122 20 0 GCADHM Cc1noc([C@H](C)NC(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737533246 598479815 /nfs/dbraw/zinc/47/98/15/598479815.db2.gz FYBRSKOBNQALCI-JTQLQIEISA-N -1 3 398.431 0.982 20 0 GCADHM Cc1noc([C@H](C)NC(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737533246 598479816 /nfs/dbraw/zinc/47/98/16/598479816.db2.gz FYBRSKOBNQALCI-JTQLQIEISA-N -1 3 398.431 0.982 20 0 GCADHM CN(C)C(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736753142 598482636 /nfs/dbraw/zinc/48/26/36/598482636.db2.gz GPYCCEIXLDNGJG-UHFFFAOYSA-N 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ZINC000738306459 598493903 /nfs/dbraw/zinc/49/39/03/598493903.db2.gz IRWUMPQYOLYOQR-UHFFFAOYSA-N -1 3 394.848 0.748 20 0 GCADHM O=C1CNC(=O)N1CCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738306459 598493905 /nfs/dbraw/zinc/49/39/05/598493905.db2.gz IRWUMPQYOLYOQR-UHFFFAOYSA-N -1 3 394.848 0.748 20 0 GCADHM O=C(CNC(=O)c1sccc1-c1nnn[n-]1)Nc1ccc(-n2cncn2)cc1 ZINC000737892011 598498978 /nfs/dbraw/zinc/49/89/78/598498978.db2.gz QOVOIWMDIDKMEB-UHFFFAOYSA-N -1 3 395.408 0.877 20 0 GCADHM O=C(CNC(=O)c1sccc1-c1nn[n-]n1)Nc1ccc(-n2cncn2)cc1 ZINC000737892011 598498980 /nfs/dbraw/zinc/49/89/80/598498980.db2.gz QOVOIWMDIDKMEB-UHFFFAOYSA-N -1 3 395.408 0.877 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1)N1C(=O)CCC1=O ZINC000735518537 598499248 /nfs/dbraw/zinc/49/92/48/598499248.db2.gz GLUJDYNTBBOMRL-ZDUSSCGKSA-N -1 3 397.439 0.443 20 0 GCADHM C[C@@H](C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1)N1C(=O)CCC1=O ZINC000735518537 598499250 /nfs/dbraw/zinc/49/92/50/598499250.db2.gz GLUJDYNTBBOMRL-ZDUSSCGKSA-N -1 3 397.439 0.443 20 0 GCADHM CCS(=O)(=O)CCNC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736659545 598499684 /nfs/dbraw/zinc/49/96/84/598499684.db2.gz TUKCSPJONPXQFW-CQSZACIVSA-N -1 3 381.458 0.821 20 0 GCADHM CCS(=O)(=O)CCNC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736659545 598499685 /nfs/dbraw/zinc/49/96/85/598499685.db2.gz TUKCSPJONPXQFW-CQSZACIVSA-N -1 3 381.458 0.821 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737741940 598505635 /nfs/dbraw/zinc/50/56/35/598505635.db2.gz DGNPJCIPIPYNFJ-CYBMUJFWSA-N -1 3 384.421 0.720 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737741940 598505637 /nfs/dbraw/zinc/50/56/37/598505637.db2.gz DGNPJCIPIPYNFJ-CYBMUJFWSA-N -1 3 384.421 0.720 20 0 GCADHM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000738319380 598507629 /nfs/dbraw/zinc/50/76/29/598507629.db2.gz OVUIJVCMKGDQPL-AWEZNQCLSA-N -1 3 391.457 0.186 20 0 GCADHM O=C1NCCN1[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000738319380 598507631 /nfs/dbraw/zinc/50/76/31/598507631.db2.gz OVUIJVCMKGDQPL-AWEZNQCLSA-N -1 3 391.457 0.186 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000738328905 598509123 /nfs/dbraw/zinc/50/91/23/598509123.db2.gz HQWZTDWUPLMLMB-LBPRGKRZSA-N -1 3 390.391 0.923 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000738328905 598509125 /nfs/dbraw/zinc/50/91/25/598509125.db2.gz HQWZTDWUPLMLMB-LBPRGKRZSA-N -1 3 390.391 0.923 20 0 GCADHM C[C@H]([C@H](C)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000736132346 598510255 /nfs/dbraw/zinc/51/02/55/598510255.db2.gz VHQMUFVBIWEBGM-QWHCGFSZSA-N -1 3 380.474 0.395 20 0 GCADHM C[C@H]([C@H](C)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000736132346 598510257 /nfs/dbraw/zinc/51/02/57/598510257.db2.gz VHQMUFVBIWEBGM-QWHCGFSZSA-N -1 3 380.474 0.395 20 0 GCADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000736813893 598510931 /nfs/dbraw/zinc/51/09/31/598510931.db2.gz MUAUKZFBNGZAGG-UHFFFAOYSA-N -1 3 383.412 0.594 20 0 GCADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C1CCC2(CC1)NC(=O)NC2=O ZINC000736813893 598510933 /nfs/dbraw/zinc/51/09/33/598510933.db2.gz MUAUKZFBNGZAGG-UHFFFAOYSA-N -1 3 383.412 0.594 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737985655 598512599 /nfs/dbraw/zinc/51/25/99/598512599.db2.gz OHKKFXKGONSYCT-UHFFFAOYSA-N -1 3 393.367 0.022 20 0 GCADHM O=C(Cn1nnc2ccccc2c1=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737985655 598512601 /nfs/dbraw/zinc/51/26/01/598512601.db2.gz OHKKFXKGONSYCT-UHFFFAOYSA-N -1 3 393.367 0.022 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737755705 598513502 /nfs/dbraw/zinc/51/35/02/598513502.db2.gz PPRNOHSIEYWXIT-HNNXBMFYSA-N -1 3 384.421 0.468 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737755705 598513504 /nfs/dbraw/zinc/51/35/04/598513504.db2.gz PPRNOHSIEYWXIT-HNNXBMFYSA-N -1 3 384.421 0.468 20 0 GCADHM O=C(OCCNc1ncccc1-c1nnn[n-]1)c1ccc2c(c1)OCC(=O)N2 ZINC000738306453 598513560 /nfs/dbraw/zinc/51/35/60/598513560.db2.gz IMHLCPFMPDXFOX-UHFFFAOYSA-N -1 3 381.352 0.862 20 0 GCADHM O=C(OCCNc1ncccc1-c1nn[n-]n1)c1ccc2c(c1)OCC(=O)N2 ZINC000738306453 598513561 /nfs/dbraw/zinc/51/35/61/598513561.db2.gz IMHLCPFMPDXFOX-UHFFFAOYSA-N -1 3 381.352 0.862 20 0 GCADHM S=C(NC1CCOCC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000738401438 598514327 /nfs/dbraw/zinc/51/43/27/598514327.db2.gz SHXWDQKBGWOFMD-UHFFFAOYSA-N -1 3 388.501 0.874 20 0 GCADHM S=C(NC1CCOCC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738401438 598514328 /nfs/dbraw/zinc/51/43/28/598514328.db2.gz SHXWDQKBGWOFMD-UHFFFAOYSA-N -1 3 388.501 0.874 20 0 GCADHM Cc1ccn2ncc(C(=O)N3CCN(c4cc(-c5nnn[n-]5)ccn4)CC3)c2n1 ZINC000737436557 598520430 /nfs/dbraw/zinc/52/04/30/598520430.db2.gz OPMGNIYLTSGRAI-UHFFFAOYSA-N -1 3 390.411 0.575 20 0 GCADHM Cc1ccn2ncc(C(=O)N3CCN(c4cc(-c5nn[n-]n5)ccn4)CC3)c2n1 ZINC000737436557 598520431 /nfs/dbraw/zinc/52/04/31/598520431.db2.gz OPMGNIYLTSGRAI-UHFFFAOYSA-N -1 3 390.411 0.575 20 0 GCADHM CS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000737161983 598526149 /nfs/dbraw/zinc/52/61/49/598526149.db2.gz GJNZMXFQMODPKA-UHFFFAOYSA-N -1 3 399.376 0.208 20 0 GCADHM CS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000737161983 598526151 /nfs/dbraw/zinc/52/61/51/598526151.db2.gz GJNZMXFQMODPKA-UHFFFAOYSA-N -1 3 399.376 0.208 20 0 GCADHM Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737513146 598529100 /nfs/dbraw/zinc/52/91/00/598529100.db2.gz HGDSEAXPIMOHCJ-GFCCVEGCSA-N -1 3 396.459 0.896 20 0 GCADHM Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737513146 598529102 /nfs/dbraw/zinc/52/91/02/598529102.db2.gz HGDSEAXPIMOHCJ-GFCCVEGCSA-N -1 3 396.459 0.896 20 0 GCADHM CC(C)C(=O)N1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735683587 598529675 /nfs/dbraw/zinc/52/96/75/598529675.db2.gz AQCLCWVRFSSDIS-UHFFFAOYSA-N -1 3 399.455 0.313 20 0 GCADHM CC(C)C(=O)N1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735683587 598529677 /nfs/dbraw/zinc/52/96/77/598529677.db2.gz AQCLCWVRFSSDIS-UHFFFAOYSA-N -1 3 399.455 0.313 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C(C)C ZINC000736934300 598533007 /nfs/dbraw/zinc/53/30/07/598533007.db2.gz ACKIIBAAXXCLNI-AWEZNQCLSA-N -1 3 388.432 0.291 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C(C)C ZINC000736934300 598533009 /nfs/dbraw/zinc/53/30/09/598533009.db2.gz ACKIIBAAXXCLNI-AWEZNQCLSA-N -1 3 388.432 0.291 20 0 GCADHM Cc1oc(NC(=O)COC(=O)CCN2CCCC2=O)c(-c2nnn[n-]2)c1C ZINC000737551861 598533097 /nfs/dbraw/zinc/53/30/97/598533097.db2.gz KKDCHCMXSKPKIE-UHFFFAOYSA-N -1 3 376.373 0.571 20 0 GCADHM O=C(CCN1CCCC1=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000737842868 598533288 /nfs/dbraw/zinc/53/32/88/598533288.db2.gz DMMJFEDRZMNMEN-CQSZACIVSA-N -1 3 384.396 0.528 20 0 GCADHM O=C(CCN1CCCC1=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000737842868 598533290 /nfs/dbraw/zinc/53/32/90/598533290.db2.gz DMMJFEDRZMNMEN-CQSZACIVSA-N -1 3 384.396 0.528 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)C(C)C ZINC000736934466 598533323 /nfs/dbraw/zinc/53/33/23/598533323.db2.gz CCUJFMMYIHEPAP-HNNXBMFYSA-N -1 3 387.444 0.896 20 0 GCADHM COC(=O)N[C@H](C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)C(C)C ZINC000736934466 598533325 /nfs/dbraw/zinc/53/33/25/598533325.db2.gz CCUJFMMYIHEPAP-HNNXBMFYSA-N -1 3 387.444 0.896 20 0 GCADHM CCS(=O)(=O)CCNC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736658583 598534326 /nfs/dbraw/zinc/53/43/26/598534326.db2.gz FTQVDQPMTGFGSR-UHFFFAOYSA-N -1 3 396.473 0.459 20 0 GCADHM CCS(=O)(=O)CCNC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736658583 598534327 /nfs/dbraw/zinc/53/43/27/598534327.db2.gz FTQVDQPMTGFGSR-UHFFFAOYSA-N -1 3 396.473 0.459 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000738076041 598534994 /nfs/dbraw/zinc/53/49/94/598534994.db2.gz VCMDCRVRDMSKML-CYBMUJFWSA-N -1 3 382.432 0.986 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000738076041 598534996 /nfs/dbraw/zinc/53/49/96/598534996.db2.gz VCMDCRVRDMSKML-CYBMUJFWSA-N -1 3 382.432 0.986 20 0 GCADHM CC(C)C(=O)N1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735684993 598535653 /nfs/dbraw/zinc/53/56/53/598535653.db2.gz XLZMFYDJTXXNCB-UHFFFAOYSA-N -1 3 385.428 0.522 20 0 GCADHM CC(C)C(=O)N1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735684993 598535655 /nfs/dbraw/zinc/53/56/55/598535655.db2.gz XLZMFYDJTXXNCB-UHFFFAOYSA-N -1 3 385.428 0.522 20 0 GCADHM COCCN(C(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736989979 598536010 /nfs/dbraw/zinc/53/60/10/598536010.db2.gz XWQWAHBMYMSGGC-CQSZACIVSA-N -1 3 379.442 0.071 20 0 GCADHM COCCN(C(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736989979 598536012 /nfs/dbraw/zinc/53/60/12/598536012.db2.gz XWQWAHBMYMSGGC-CQSZACIVSA-N -1 3 379.442 0.071 20 0 GCADHM Cn1cc(-c2cncc(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)c2)cn1 ZINC000737590614 598537069 /nfs/dbraw/zinc/53/70/69/598537069.db2.gz ATKOQCWQJJEJRG-UHFFFAOYSA-N -1 3 390.411 0.899 20 0 GCADHM Cn1cc(-c2cncc(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)c2)cn1 ZINC000737590614 598537071 /nfs/dbraw/zinc/53/70/71/598537071.db2.gz ATKOQCWQJJEJRG-UHFFFAOYSA-N -1 3 390.411 0.899 20 0 GCADHM COCCN(CCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000736995228 598537289 /nfs/dbraw/zinc/53/72/89/598537289.db2.gz PJUAXTRFYFFWLK-OAHLLOKOSA-N -1 3 395.485 0.771 20 0 GCADHM CC1(C)NC(=O)N(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1=O ZINC000736212809 598546442 /nfs/dbraw/zinc/54/64/42/598546442.db2.gz BONPXEOAFATOFB-UHFFFAOYSA-N -1 3 395.326 0.737 20 0 GCADHM CC1(C)NC(=O)N(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1=O ZINC000736212809 598546444 /nfs/dbraw/zinc/54/64/44/598546444.db2.gz BONPXEOAFATOFB-UHFFFAOYSA-N -1 3 395.326 0.737 20 0 GCADHM CNC(=O)[C@H](NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC000736871928 598547248 /nfs/dbraw/zinc/54/72/48/598547248.db2.gz UNZBJUVOEFOZPM-MRXNPFEDSA-N -1 3 384.371 0.988 20 0 GCADHM CNC(=O)[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC000736871928 598547249 /nfs/dbraw/zinc/54/72/49/598547249.db2.gz UNZBJUVOEFOZPM-MRXNPFEDSA-N -1 3 384.371 0.988 20 0 GCADHM CNC(=O)[C@@H](NC(=O)COc1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC000736871927 598547548 /nfs/dbraw/zinc/54/75/48/598547548.db2.gz UNZBJUVOEFOZPM-INIZCTEOSA-N -1 3 384.371 0.988 20 0 GCADHM CNC(=O)[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)c(F)c1)c1ccccc1 ZINC000736871927 598547550 /nfs/dbraw/zinc/54/75/50/598547550.db2.gz UNZBJUVOEFOZPM-INIZCTEOSA-N -1 3 384.371 0.988 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(C)CCS(C)(=O)=O ZINC000735549961 598551755 /nfs/dbraw/zinc/55/17/55/598551755.db2.gz CIYGYEJTFXSAJT-SECBINFHSA-N -1 3 386.865 0.824 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(C)CCS(C)(=O)=O ZINC000735549961 598551758 /nfs/dbraw/zinc/55/17/58/598551758.db2.gz CIYGYEJTFXSAJT-SECBINFHSA-N -1 3 386.865 0.824 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N(C)CCS(C)(=O)=O ZINC000735549962 598551786 /nfs/dbraw/zinc/55/17/86/598551786.db2.gz CIYGYEJTFXSAJT-VIFPVBQESA-N -1 3 386.865 0.824 20 0 GCADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N(C)CCS(C)(=O)=O ZINC000735549962 598551787 /nfs/dbraw/zinc/55/17/87/598551787.db2.gz CIYGYEJTFXSAJT-VIFPVBQESA-N -1 3 386.865 0.824 20 0 GCADHM O=Cc1ccccc1S(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738319290 598555269 /nfs/dbraw/zinc/55/52/69/598555269.db2.gz UUICAWAYFWRBFQ-UHFFFAOYSA-N -1 3 399.436 0.585 20 0 GCADHM O=Cc1ccccc1S(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738319290 598555271 /nfs/dbraw/zinc/55/52/71/598555271.db2.gz UUICAWAYFWRBFQ-UHFFFAOYSA-N -1 3 399.436 0.585 20 0 GCADHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccn(CCN2CCOCC2)n1 ZINC000737853397 598555642 /nfs/dbraw/zinc/55/56/42/598555642.db2.gz LFZVQSAZSBVHIA-UHFFFAOYSA-N -1 3 396.455 0.967 20 0 GCADHM NS(=O)(=O)CCNC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737765205 598556358 /nfs/dbraw/zinc/55/63/58/598556358.db2.gz OBTJOYJXMASPLN-UHFFFAOYSA-N -1 3 392.397 0.057 20 0 GCADHM COCCOc1ncccc1NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737013345 598559342 /nfs/dbraw/zinc/55/93/42/598559342.db2.gz FTIQYTYEYDDTDL-UHFFFAOYSA-N -1 3 399.415 0.916 20 0 GCADHM COCCOc1ncccc1NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737013345 598559344 /nfs/dbraw/zinc/55/93/44/598559344.db2.gz FTIQYTYEYDDTDL-UHFFFAOYSA-N -1 3 399.415 0.916 20 0 GCADHM COCCNC(=O)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737007553 598561142 /nfs/dbraw/zinc/56/11/42/598561142.db2.gz VTJTVIGXDIDXSG-UHFFFAOYSA-N -1 3 385.331 0.352 20 0 GCADHM COCCNC(=O)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737007553 598561143 /nfs/dbraw/zinc/56/11/43/598561143.db2.gz VTJTVIGXDIDXSG-UHFFFAOYSA-N -1 3 385.331 0.352 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)N[C@@H]1CCS(=O)(=O)C1 ZINC000738144955 598561230 /nfs/dbraw/zinc/56/12/30/598561230.db2.gz HUJVDZNAEGRNGE-MRVPVSSYSA-N -1 3 388.356 0.777 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)N[C@@H]1CCS(=O)(=O)C1 ZINC000738144955 598561231 /nfs/dbraw/zinc/56/12/31/598561231.db2.gz HUJVDZNAEGRNGE-MRVPVSSYSA-N -1 3 388.356 0.777 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000737745452 598562439 /nfs/dbraw/zinc/56/24/39/598562439.db2.gz NYJUNUOCQUHIFI-SNVBAGLBSA-N -1 3 383.315 0.186 20 0 GCADHM NC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000737745452 598562440 /nfs/dbraw/zinc/56/24/40/598562440.db2.gz NYJUNUOCQUHIFI-SNVBAGLBSA-N -1 3 383.315 0.186 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)CCO1 ZINC000736279935 598563328 /nfs/dbraw/zinc/56/33/28/598563328.db2.gz LXQRNFCBBAWWMR-MRVPVSSYSA-N -1 3 382.327 0.654 20 0 GCADHM C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)CCO1 ZINC000736279935 598563329 /nfs/dbraw/zinc/56/33/29/598563329.db2.gz LXQRNFCBBAWWMR-MRVPVSSYSA-N -1 3 382.327 0.654 20 0 GCADHM CNC(=O)CCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736870275 598563696 /nfs/dbraw/zinc/56/36/96/598563696.db2.gz GSTYIGKINOMFLR-UHFFFAOYSA-N -1 3 397.342 0.049 20 0 GCADHM CNC(=O)CCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736870275 598563697 /nfs/dbraw/zinc/56/36/97/598563697.db2.gz GSTYIGKINOMFLR-UHFFFAOYSA-N -1 3 397.342 0.049 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000738139217 598564584 /nfs/dbraw/zinc/56/45/84/598564584.db2.gz MSJQSHGXYKNSHG-UWVGGRQHSA-N -1 3 396.354 0.826 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000738139217 598564585 /nfs/dbraw/zinc/56/45/85/598564585.db2.gz MSJQSHGXYKNSHG-UWVGGRQHSA-N -1 3 396.354 0.826 20 0 GCADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CCN1C(=O)CCC1=O ZINC000737026965 598564589 /nfs/dbraw/zinc/56/45/89/598564589.db2.gz VEVLJSYXLFPVRY-UHFFFAOYSA-N -1 3 379.760 0.973 20 0 GCADHM COc1cc(-c2nn[n-]n2)cc(Cl)c1OC(=O)CCN1C(=O)CCC1=O ZINC000737026965 598564591 /nfs/dbraw/zinc/56/45/91/598564591.db2.gz VEVLJSYXLFPVRY-UHFFFAOYSA-N -1 3 379.760 0.973 20 0 GCADHM CNC(=O)CNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736873922 598565567 /nfs/dbraw/zinc/56/55/67/598565567.db2.gz OOUZQXZEKYULJS-UHFFFAOYSA-N -1 3 395.379 0.460 20 0 GCADHM CNC(=O)CNC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736873922 598565569 /nfs/dbraw/zinc/56/55/69/598565569.db2.gz OOUZQXZEKYULJS-UHFFFAOYSA-N -1 3 395.379 0.460 20 0 GCADHM CN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736760786 598569673 /nfs/dbraw/zinc/56/96/73/598569673.db2.gz CTEIOICDBNVWEE-ZDUSSCGKSA-N -1 3 385.453 0.943 20 0 GCADHM CN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736760786 598569674 /nfs/dbraw/zinc/56/96/74/598569674.db2.gz CTEIOICDBNVWEE-ZDUSSCGKSA-N -1 3 385.453 0.943 20 0 GCADHM O=C(NC[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738050692 598577741 /nfs/dbraw/zinc/57/77/41/598577741.db2.gz FWDPFYRNWRRCRU-IUODEOHRSA-N -1 3 390.469 0.386 20 0 GCADHM O=C(NCc1nnc2n1CCC2)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738122598 598580099 /nfs/dbraw/zinc/58/00/99/598580099.db2.gz DGJMGRZVASKLCO-CQSZACIVSA-N -1 3 379.428 0.690 20 0 GCADHM CCN(CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@H]1CCS(=O)(=O)C1 ZINC000736533793 598580659 /nfs/dbraw/zinc/58/06/59/598580659.db2.gz DHZOWKSOZDIMHF-LBPRGKRZSA-N -1 3 378.458 0.704 20 0 GCADHM CCN(CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@H]1CCS(=O)(=O)C1 ZINC000736533793 598580660 /nfs/dbraw/zinc/58/06/60/598580660.db2.gz DHZOWKSOZDIMHF-LBPRGKRZSA-N -1 3 378.458 0.704 20 0 GCADHM O=S(=O)(CCNc1nc2c(cc1-c1nnn[n-]1)CCC2)NCC1CCC1 ZINC000738328481 598592687 /nfs/dbraw/zinc/59/26/87/598592687.db2.gz COOHUVLTBHRKFD-UHFFFAOYSA-N -1 3 377.474 0.882 20 0 GCADHM O=S(=O)(CCNc1nc2c(cc1-c1nn[n-]n1)CCC2)NCC1CCC1 ZINC000738328481 598592689 /nfs/dbraw/zinc/59/26/89/598592689.db2.gz COOHUVLTBHRKFD-UHFFFAOYSA-N -1 3 377.474 0.882 20 0 GCADHM COC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736935711 598594791 /nfs/dbraw/zinc/59/47/91/598594791.db2.gz KWFLAUBUJQANRN-HNNXBMFYSA-N -1 3 385.428 0.746 20 0 GCADHM CNC(=O)Cn1cc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736879012 598595129 /nfs/dbraw/zinc/59/51/29/598595129.db2.gz NNIRZVAVMUMUMK-HNNXBMFYSA-N -1 3 395.427 0.417 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000735670202 598596412 /nfs/dbraw/zinc/59/64/12/598596412.db2.gz IKNPCCPEOFQPAA-UHFFFAOYSA-N -1 3 398.493 0.873 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000735670202 598596413 /nfs/dbraw/zinc/59/64/13/598596413.db2.gz IKNPCCPEOFQPAA-UHFFFAOYSA-N -1 3 398.493 0.873 20 0 GCADHM CN(CCN1CCOCC1)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736799205 598597639 /nfs/dbraw/zinc/59/76/39/598597639.db2.gz PDSKJQWIXKAUBO-QGZVFWFLSA-N -1 3 385.472 0.626 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cnc21 ZINC000737588397 598597865 /nfs/dbraw/zinc/59/78/65/598597865.db2.gz FSQQUSNXWVAKEC-UHFFFAOYSA-N -1 3 382.315 0.606 20 0 GCADHM Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cnc21 ZINC000737588397 598597867 /nfs/dbraw/zinc/59/78/67/598597867.db2.gz FSQQUSNXWVAKEC-UHFFFAOYSA-N -1 3 382.315 0.606 20 0 GCADHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCCS(=O)(=O)NCC ZINC000736479333 598597969 /nfs/dbraw/zinc/59/79/69/598597969.db2.gz FTDFWYWKACTJPP-UHFFFAOYSA-N -1 3 395.489 0.728 20 0 GCADHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCS(=O)(=O)NCC ZINC000736479333 598597971 /nfs/dbraw/zinc/59/79/71/598597971.db2.gz FTDFWYWKACTJPP-UHFFFAOYSA-N -1 3 395.489 0.728 20 0 GCADHM C[C@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736151102 598599039 /nfs/dbraw/zinc/59/90/39/598599039.db2.gz KVDUPRBIWYYWSS-ZETCQYMHSA-N -1 3 390.425 0.553 20 0 GCADHM C[C@H](OC(=O)C1(C(N)=O)CC1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736151102 598599041 /nfs/dbraw/zinc/59/90/41/598599041.db2.gz KVDUPRBIWYYWSS-ZETCQYMHSA-N -1 3 390.425 0.553 20 0 GCADHM CC(=O)c1cccc(O[C@H](C)C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000735499677 598602088 /nfs/dbraw/zinc/60/20/88/598602088.db2.gz RLGODFONUHQADN-LLVKDONJSA-N -1 3 385.384 0.859 20 0 GCADHM CC(=O)c1cccc(O[C@H](C)C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000735499677 598602090 /nfs/dbraw/zinc/60/20/90/598602090.db2.gz RLGODFONUHQADN-LLVKDONJSA-N -1 3 385.384 0.859 20 0 GCADHM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000735403038 598602208 /nfs/dbraw/zinc/60/22/08/598602208.db2.gz OBUCFUICTXOLDU-NSHDSACASA-N -1 3 394.395 0.704 20 0 GCADHM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000735403038 598602210 /nfs/dbraw/zinc/60/22/10/598602210.db2.gz OBUCFUICTXOLDU-NSHDSACASA-N -1 3 394.395 0.704 20 0 GCADHM CCOC(=O)C1=C(CNc2ccc(F)c(-c3nnn[n-]3)c2)NC(=O)N[C@H]1C ZINC000736591070 598602938 /nfs/dbraw/zinc/60/29/38/598602938.db2.gz QEQYMYWNDMSZOL-QMMMGPOBSA-N -1 3 375.364 0.936 20 0 GCADHM CCOC(=O)C1=C(CNc2ccc(F)c(-c3nn[n-]n3)c2)NC(=O)N[C@H]1C ZINC000736591070 598602940 /nfs/dbraw/zinc/60/29/40/598602940.db2.gz QEQYMYWNDMSZOL-QMMMGPOBSA-N -1 3 375.364 0.936 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cncn1-c1ccc(F)cc1 ZINC000737773154 598603857 /nfs/dbraw/zinc/60/38/57/598603857.db2.gz IVPXWAAGRNKJBV-UHFFFAOYSA-N -1 3 383.347 0.827 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cncn1-c1ccc(F)cc1 ZINC000737773154 598603858 /nfs/dbraw/zinc/60/38/58/598603858.db2.gz IVPXWAAGRNKJBV-UHFFFAOYSA-N -1 3 383.347 0.827 20 0 GCADHM CCOC(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1 ZINC000736599916 598603935 /nfs/dbraw/zinc/60/39/35/598603935.db2.gz GKYNPTFPBUHABM-SNVBAGLBSA-N -1 3 378.393 0.057 20 0 GCADHM CCOC(=O)N1CCC[C@@H](C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1 ZINC000736599916 598603936 /nfs/dbraw/zinc/60/39/36/598603936.db2.gz GKYNPTFPBUHABM-SNVBAGLBSA-N -1 3 378.393 0.057 20 0 GCADHM Cc1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1S(C)(=O)=O ZINC000737318545 598604238 /nfs/dbraw/zinc/60/42/38/598604238.db2.gz WFRWBAMVXLXVOI-UHFFFAOYSA-N -1 3 391.413 0.214 20 0 GCADHM Cc1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1S(C)(=O)=O ZINC000737318545 598604240 /nfs/dbraw/zinc/60/42/40/598604240.db2.gz WFRWBAMVXLXVOI-UHFFFAOYSA-N -1 3 391.413 0.214 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cc1cc(F)cc2c1OCOC2 ZINC000737770548 598604974 /nfs/dbraw/zinc/60/49/74/598604974.db2.gz KTHBWBKUAMEGEB-UHFFFAOYSA-N -1 3 389.347 0.437 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cc1cc(F)cc2c1OCOC2 ZINC000737770548 598604975 /nfs/dbraw/zinc/60/49/75/598604975.db2.gz KTHBWBKUAMEGEB-UHFFFAOYSA-N -1 3 389.347 0.437 20 0 GCADHM Cn1cc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC000737611404 598605261 /nfs/dbraw/zinc/60/52/61/598605261.db2.gz WCWODCXXSLQTCV-CQSZACIVSA-N -1 3 380.412 0.912 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000737771672 598606067 /nfs/dbraw/zinc/60/60/67/598606067.db2.gz TUWYUHJAPIFEER-NSHDSACASA-N -1 3 382.384 0.242 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000737771672 598606069 /nfs/dbraw/zinc/60/60/69/598606069.db2.gz TUWYUHJAPIFEER-NSHDSACASA-N -1 3 382.384 0.242 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000737775040 598606474 /nfs/dbraw/zinc/60/64/74/598606474.db2.gz WOCCCTWBARCNDC-UHFFFAOYSA-N -1 3 383.347 0.827 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000737775040 598606475 /nfs/dbraw/zinc/60/64/75/598606475.db2.gz WOCCCTWBARCNDC-UHFFFAOYSA-N -1 3 383.347 0.827 20 0 GCADHM O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000738287468 598608683 /nfs/dbraw/zinc/60/86/83/598608683.db2.gz WFBPSZZLGVRWAA-UHFFFAOYSA-N -1 3 399.436 0.408 20 0 GCADHM O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000738287468 598608685 /nfs/dbraw/zinc/60/86/85/598608685.db2.gz WFBPSZZLGVRWAA-UHFFFAOYSA-N -1 3 399.436 0.408 20 0 GCADHM O=C(NCCCN1CCOC1=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738064752 598612275 /nfs/dbraw/zinc/61/22/75/598612275.db2.gz DOAUXYZHXVZSKX-OAHLLOKOSA-N -1 3 385.428 0.794 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000737616095 598612842 /nfs/dbraw/zinc/61/28/42/598612842.db2.gz NSDJCBAQXRDYSS-UHFFFAOYSA-N -1 3 396.455 0.714 20 0 GCADHM Cn1ccnc1CN1CCCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000737616095 598612844 /nfs/dbraw/zinc/61/28/44/598612844.db2.gz NSDJCBAQXRDYSS-UHFFFAOYSA-N -1 3 396.455 0.714 20 0 GCADHM Cc1cnn([C@@H]2CCCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000737441870 598614052 /nfs/dbraw/zinc/61/40/52/598614052.db2.gz CWPZAUIMBHREAO-MRXNPFEDSA-N -1 3 394.439 0.965 20 0 GCADHM Cc1cnn([C@@H]2CCCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000737441870 598614054 /nfs/dbraw/zinc/61/40/54/598614054.db2.gz CWPZAUIMBHREAO-MRXNPFEDSA-N -1 3 394.439 0.965 20 0 GCADHM C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc3n(c1-c1nnn[n-]1)CCS3)CS2 ZINC000736229172 598614592 /nfs/dbraw/zinc/61/45/92/598614592.db2.gz LHOJTACUFWYXLO-UOWDBTKRSA-N -1 3 392.470 0.561 20 0 GCADHM C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc3n(c1-c1nn[n-]n1)CCS3)CS2 ZINC000736229172 598614594 /nfs/dbraw/zinc/61/45/94/598614594.db2.gz LHOJTACUFWYXLO-UOWDBTKRSA-N -1 3 392.470 0.561 20 0 GCADHM C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc3n(c1-c1nnn[n-]1)CCS3)CS2 ZINC000736229171 598614915 /nfs/dbraw/zinc/61/49/15/598614915.db2.gz LHOJTACUFWYXLO-NXSYQRQQSA-N -1 3 392.470 0.561 20 0 GCADHM C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc3n(c1-c1nn[n-]n1)CCS3)CS2 ZINC000736229171 598614917 /nfs/dbraw/zinc/61/49/17/598614917.db2.gz LHOJTACUFWYXLO-NXSYQRQQSA-N -1 3 392.470 0.561 20 0 GCADHM CN(C)C(=O)N1CCC(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)CC1 ZINC000736752496 598615261 /nfs/dbraw/zinc/61/52/61/598615261.db2.gz YHTOQVKVJIBAJB-UHFFFAOYSA-N -1 3 391.461 0.501 20 0 GCADHM CN(C)C(=O)N1CCC(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)CC1 ZINC000736752496 598615263 /nfs/dbraw/zinc/61/52/63/598615263.db2.gz YHTOQVKVJIBAJB-UHFFFAOYSA-N -1 3 391.461 0.501 20 0 GCADHM CC(=O)NCC1CCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735475735 598615467 /nfs/dbraw/zinc/61/54/67/598615467.db2.gz SCJQDRYFULMHDJ-INIZCTEOSA-N -1 3 397.439 0.347 20 0 GCADHM COC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000736911612 598616325 /nfs/dbraw/zinc/61/63/25/598616325.db2.gz HCMOVDBMWYQRJQ-CQSZACIVSA-N -1 3 384.396 0.384 20 0 GCADHM COC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000736911612 598616326 /nfs/dbraw/zinc/61/63/26/598616326.db2.gz HCMOVDBMWYQRJQ-CQSZACIVSA-N -1 3 384.396 0.384 20 0 GCADHM NC(=O)Cc1ccc(N[C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1 ZINC000737758110 598616444 /nfs/dbraw/zinc/61/64/44/598616444.db2.gz FKDRDWADEKRETC-HNNXBMFYSA-N -1 3 391.391 0.639 20 0 GCADHM NC(=O)Cc1ccc(N[C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1 ZINC000737758110 598616445 /nfs/dbraw/zinc/61/64/45/598616445.db2.gz FKDRDWADEKRETC-HNNXBMFYSA-N -1 3 391.391 0.639 20 0 GCADHM CNS(=O)(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736885141 598617331 /nfs/dbraw/zinc/61/73/31/598617331.db2.gz XYKSOGABCCFCKQ-LLVKDONJSA-N -1 3 394.457 0.174 20 0 GCADHM O=C(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737861140 598618225 /nfs/dbraw/zinc/61/82/25/598618225.db2.gz BVHVRWCRWITLQK-OAHLLOKOSA-N -1 3 390.469 0.134 20 0 GCADHM O=C(CN(C1CC1)[C@@H]1CCS(=O)(=O)C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737861140 598618227 /nfs/dbraw/zinc/61/82/27/598618227.db2.gz BVHVRWCRWITLQK-OAHLLOKOSA-N -1 3 390.469 0.134 20 0 GCADHM C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736111221 598618600 /nfs/dbraw/zinc/61/86/00/598618600.db2.gz MIEPZBKPHYSNOF-LLVKDONJSA-N -1 3 386.437 0.934 20 0 GCADHM C[C@@H](NC(=O)Cc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736111221 598618602 /nfs/dbraw/zinc/61/86/02/598618602.db2.gz MIEPZBKPHYSNOF-LLVKDONJSA-N -1 3 386.437 0.934 20 0 GCADHM O=C(COC(=O)c1ccc(NCCO)cc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737910987 598619549 /nfs/dbraw/zinc/61/95/49/598619549.db2.gz KOZXVOAVKNJQNL-UHFFFAOYSA-N -1 3 396.407 0.744 20 0 GCADHM O=C(COC(=O)c1ccc(NCCO)cc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737910987 598619551 /nfs/dbraw/zinc/61/95/51/598619551.db2.gz KOZXVOAVKNJQNL-UHFFFAOYSA-N -1 3 396.407 0.744 20 0 GCADHM O=C(CN1CCCS(=O)(=O)CC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737871893 598627731 /nfs/dbraw/zinc/62/77/31/598627731.db2.gz CUOWSDBYSZCEBY-UHFFFAOYSA-N -1 3 384.849 0.579 20 0 GCADHM O=C(CN1CCCS(=O)(=O)CC1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737871893 598627733 /nfs/dbraw/zinc/62/77/33/598627733.db2.gz CUOWSDBYSZCEBY-UHFFFAOYSA-N -1 3 384.849 0.579 20 0 GCADHM CCS(=O)(=O)NC1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000736659738 598629614 /nfs/dbraw/zinc/62/96/14/598629614.db2.gz VMWKSLMKSXVUJF-UHFFFAOYSA-N -1 3 397.436 0.941 20 0 GCADHM CCS(=O)(=O)NC1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736659738 598629615 /nfs/dbraw/zinc/62/96/15/598629615.db2.gz VMWKSLMKSXVUJF-UHFFFAOYSA-N -1 3 397.436 0.941 20 0 GCADHM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccco1 ZINC000736758917 598635325 /nfs/dbraw/zinc/63/53/25/598635325.db2.gz KAJDRJQGLOGPSD-CYBMUJFWSA-N -1 3 387.375 0.956 20 0 GCADHM CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccco1 ZINC000736758917 598635327 /nfs/dbraw/zinc/63/53/27/598635327.db2.gz KAJDRJQGLOGPSD-CYBMUJFWSA-N -1 3 387.375 0.956 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1nnc2ccccn21 ZINC000736095596 598635555 /nfs/dbraw/zinc/63/55/55/598635555.db2.gz HJHUALOIOLPQJU-SECBINFHSA-N -1 3 395.358 0.864 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1nnc2ccccn21 ZINC000736095596 598635558 /nfs/dbraw/zinc/63/55/58/598635558.db2.gz HJHUALOIOLPQJU-SECBINFHSA-N -1 3 395.358 0.864 20 0 GCADHM NS(=O)(=O)c1ccc(NCCC(=O)NC2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000737770336 598635667 /nfs/dbraw/zinc/63/56/67/598635667.db2.gz SWGXLKXLCBUPSV-UHFFFAOYSA-N -1 3 393.473 0.765 20 0 GCADHM NS(=O)(=O)c1ccc(NCCC(=O)NC2CCCCC2)c(-c2nn[n-]n2)c1 ZINC000737770336 598635669 /nfs/dbraw/zinc/63/56/69/598635669.db2.gz SWGXLKXLCBUPSV-UHFFFAOYSA-N -1 3 393.473 0.765 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000737500751 598636339 /nfs/dbraw/zinc/63/63/39/598636339.db2.gz PIUOWLWMLWGCDG-NSHDSACASA-N -1 3 396.386 0.716 20 0 GCADHM Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC000737500751 598636340 /nfs/dbraw/zinc/63/63/40/598636340.db2.gz PIUOWLWMLWGCDG-NSHDSACASA-N -1 3 396.386 0.716 20 0 GCADHM Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737510964 598637285 /nfs/dbraw/zinc/63/72/85/598637285.db2.gz PNJXCYJBVFVPOI-UHFFFAOYSA-N -1 3 386.391 0.654 20 0 GCADHM Cc1nn(C)c(C)c1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737510964 598637287 /nfs/dbraw/zinc/63/72/87/598637287.db2.gz PNJXCYJBVFVPOI-UHFFFAOYSA-N -1 3 386.391 0.654 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1O ZINC000737091689 598637297 /nfs/dbraw/zinc/63/72/97/598637297.db2.gz XLKCPFROVMGMSQ-UHFFFAOYSA-N -1 3 386.343 0.975 20 0 GCADHM COc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1O ZINC000737091689 598637299 /nfs/dbraw/zinc/63/72/99/598637299.db2.gz XLKCPFROVMGMSQ-UHFFFAOYSA-N -1 3 386.343 0.975 20 0 GCADHM O=C(NCCc1cn2c(n1)CCCC2)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738087489 598637627 /nfs/dbraw/zinc/63/76/27/598637627.db2.gz GTRKBDASZXZOPQ-UHFFFAOYSA-N -1 3 398.402 0.836 20 0 GCADHM O=C(NCCc1cn2c(n1)CCCC2)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738087489 598637629 /nfs/dbraw/zinc/63/76/29/598637629.db2.gz GTRKBDASZXZOPQ-UHFFFAOYSA-N -1 3 398.402 0.836 20 0 GCADHM O=C(NCCCCN1CCOCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738052595 598637732 /nfs/dbraw/zinc/63/77/32/598637732.db2.gz AHASAUAKUHMISP-UHFFFAOYSA-N -1 3 391.407 0.173 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736325470 598640329 /nfs/dbraw/zinc/64/03/29/598640329.db2.gz JZKNQGPSCACYQI-RKDXNWHRSA-N -1 3 377.380 0.364 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736325470 598640331 /nfs/dbraw/zinc/64/03/31/598640331.db2.gz JZKNQGPSCACYQI-RKDXNWHRSA-N -1 3 377.380 0.364 20 0 GCADHM O=C(NC[C@H](O)c1cccc(F)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738039883 598640737 /nfs/dbraw/zinc/64/07/37/598640737.db2.gz NMVKPWPWRWSNIW-AWEZNQCLSA-N -1 3 388.334 0.933 20 0 GCADHM O=C(NC[C@H](O)c1cccc(F)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738039883 598640739 /nfs/dbraw/zinc/64/07/39/598640739.db2.gz NMVKPWPWRWSNIW-AWEZNQCLSA-N -1 3 388.334 0.933 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1c(OC)ncnc1OC ZINC000737003504 598651698 /nfs/dbraw/zinc/65/16/98/598651698.db2.gz WSGQKMPXRALTMQ-UHFFFAOYSA-N -1 3 399.411 0.963 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1c(OC)ncnc1OC ZINC000737003504 598651700 /nfs/dbraw/zinc/65/17/00/598651700.db2.gz WSGQKMPXRALTMQ-UHFFFAOYSA-N -1 3 399.411 0.963 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(Cc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000735882989 598677481 /nfs/dbraw/zinc/67/74/81/598677481.db2.gz UVGNKULNQWSJIY-UHFFFAOYSA-N -1 3 375.408 0.175 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(Cc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000735882989 598677482 /nfs/dbraw/zinc/67/74/82/598677482.db2.gz UVGNKULNQWSJIY-UHFFFAOYSA-N -1 3 375.408 0.175 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCN1c1nccs1 ZINC000738073924 598683861 /nfs/dbraw/zinc/68/38/61/598683861.db2.gz DDVXMNISJBBVPU-LBPRGKRZSA-N -1 3 385.457 0.915 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCN1c1nccs1 ZINC000738073924 598683863 /nfs/dbraw/zinc/68/38/63/598683863.db2.gz DDVXMNISJBBVPU-LBPRGKRZSA-N -1 3 385.457 0.915 20 0 GCADHM O=C(CNC(=O)OCC(F)(F)F)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737889924 598684090 /nfs/dbraw/zinc/68/40/90/598684090.db2.gz ULGGPEKFWHXFAM-UHFFFAOYSA-N -1 3 388.310 0.078 20 0 GCADHM O=C(CNC(=O)OCC(F)(F)F)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737889924 598684092 /nfs/dbraw/zinc/68/40/92/598684092.db2.gz ULGGPEKFWHXFAM-UHFFFAOYSA-N -1 3 388.310 0.078 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736201910 598686431 /nfs/dbraw/zinc/68/64/31/598686431.db2.gz IWCCYTWYUFDJIK-SNVBAGLBSA-N -1 3 387.425 0.742 20 0 GCADHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736201910 598686432 /nfs/dbraw/zinc/68/64/32/598686432.db2.gz IWCCYTWYUFDJIK-SNVBAGLBSA-N -1 3 387.425 0.742 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCN(c2ncccn2)CC1 ZINC000738355307 598687573 /nfs/dbraw/zinc/68/75/73/598687573.db2.gz ODXQCIWRBPBDHO-UHFFFAOYSA-N -1 3 390.404 0.307 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000736912567 598688379 /nfs/dbraw/zinc/68/83/79/598688379.db2.gz PGKJLKLMSKBMGL-OAHLLOKOSA-N -1 3 389.412 0.816 20 0 GCADHM COC(=O)[C@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000736912567 598688381 /nfs/dbraw/zinc/68/83/81/598688381.db2.gz PGKJLKLMSKBMGL-OAHLLOKOSA-N -1 3 389.412 0.816 20 0 GCADHM CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000736781420 598689958 /nfs/dbraw/zinc/68/99/58/598689958.db2.gz ZVWCQIXUQZWNIN-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000736781420 598689960 /nfs/dbraw/zinc/68/99/60/598689960.db2.gz ZVWCQIXUQZWNIN-UHFFFAOYSA-N -1 3 377.405 0.945 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737764240 598690009 /nfs/dbraw/zinc/69/00/09/598690009.db2.gz IVZMHRGKQPUBEX-KRZKBDHCSA-N -1 3 376.442 0.407 20 0 GCADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737764240 598690010 /nfs/dbraw/zinc/69/00/10/598690010.db2.gz IVZMHRGKQPUBEX-KRZKBDHCSA-N -1 3 376.442 0.407 20 0 GCADHM CCOC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736601247 598690023 /nfs/dbraw/zinc/69/00/23/598690023.db2.gz UKTUOIDDYDQVSB-JTQLQIEISA-N -1 3 398.420 0.905 20 0 GCADHM COC(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736936409 598693022 /nfs/dbraw/zinc/69/30/22/598693022.db2.gz QQEJGQXKMNDOFQ-VIFPVBQESA-N -1 3 384.393 0.515 20 0 GCADHM COC(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736936409 598693024 /nfs/dbraw/zinc/69/30/24/598693024.db2.gz QQEJGQXKMNDOFQ-VIFPVBQESA-N -1 3 384.393 0.515 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCCS(=O)(=O)CC1 ZINC000737792763 598693520 /nfs/dbraw/zinc/69/35/20/598693520.db2.gz SMAJJUAFIPLMKC-OAHLLOKOSA-N -1 3 390.469 0.483 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736871628 598694212 /nfs/dbraw/zinc/69/42/12/598694212.db2.gz SHALWIKLWYBUMZ-GOEBONIOSA-N -1 3 383.456 0.820 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000736912515 598695191 /nfs/dbraw/zinc/69/51/91/598695191.db2.gz OFZFIFIPCJEKRP-NSHDSACASA-N -1 3 387.805 0.083 20 0 GCADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCO1 ZINC000736912515 598695193 /nfs/dbraw/zinc/69/51/93/598695193.db2.gz OFZFIFIPCJEKRP-NSHDSACASA-N -1 3 387.805 0.083 20 0 GCADHM CCn1ccnc1CN1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000736721552 598697525 /nfs/dbraw/zinc/69/75/25/598697525.db2.gz DRRCGFRQJRJQPJ-UHFFFAOYSA-N -1 3 396.455 0.806 20 0 GCADHM CCn1ccnc1CN1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000736721552 598697527 /nfs/dbraw/zinc/69/75/27/598697527.db2.gz DRRCGFRQJRJQPJ-UHFFFAOYSA-N -1 3 396.455 0.806 20 0 GCADHM Cn1cc([C@H]2CCCN2C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000737607007 598699416 /nfs/dbraw/zinc/69/94/16/598699416.db2.gz VZISYNKSTZHYDT-CQSZACIVSA-N -1 3 382.432 0.954 20 0 GCADHM Cn1cc([C@H]2CCCN2C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000737607007 598699418 /nfs/dbraw/zinc/69/94/18/598699418.db2.gz VZISYNKSTZHYDT-CQSZACIVSA-N -1 3 382.432 0.954 20 0 GCADHM NS(=O)(=O)CCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737765901 598699490 /nfs/dbraw/zinc/69/94/90/598699490.db2.gz QRAFCVNLMTUSNT-UHFFFAOYSA-N -1 3 388.409 0.677 20 0 GCADHM NS(=O)(=O)CCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737765901 598699492 /nfs/dbraw/zinc/69/94/92/598699492.db2.gz QRAFCVNLMTUSNT-UHFFFAOYSA-N -1 3 388.409 0.677 20 0 GCADHM O=C(CN1CCC[C@H]1[C@@H](O)C(F)(F)F)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737877518 598702287 /nfs/dbraw/zinc/70/22/87/598702287.db2.gz MNLIBINRZGYUDI-GXTWGEPZSA-N -1 3 384.362 0.871 20 0 GCADHM O=C(CN1CCC[C@H]1[C@@H](O)C(F)(F)F)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737877518 598702289 /nfs/dbraw/zinc/70/22/89/598702289.db2.gz MNLIBINRZGYUDI-GXTWGEPZSA-N -1 3 384.362 0.871 20 0 GCADHM Cn1cc(C=CC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000737604961 598706722 /nfs/dbraw/zinc/70/67/22/598706722.db2.gz RFEAZNZBBPWANV-GQCTYLIASA-N -1 3 386.343 0.160 20 0 GCADHM Cn1cc(C=CC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737604961 598706723 /nfs/dbraw/zinc/70/67/23/598706723.db2.gz RFEAZNZBBPWANV-GQCTYLIASA-N -1 3 386.343 0.160 20 0 GCADHM O=C(CN1CCC[C@@H](N2CCCC2=O)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737877999 598707636 /nfs/dbraw/zinc/70/76/36/598707636.db2.gz YDQIRYZYSXFKDE-MRXNPFEDSA-N -1 3 383.456 0.570 20 0 GCADHM O=C(CN1CCC[C@H](N2CCCC2=O)C1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737877993 598707640 /nfs/dbraw/zinc/70/76/40/598707640.db2.gz YDQIRYZYSXFKDE-INIZCTEOSA-N -1 3 383.456 0.570 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736524397 598709485 /nfs/dbraw/zinc/70/94/85/598709485.db2.gz VNPHLOHJSLEBPG-CQSZACIVSA-N -1 3 378.458 0.888 20 0 GCADHM CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736524397 598709486 /nfs/dbraw/zinc/70/94/86/598709486.db2.gz VNPHLOHJSLEBPG-CQSZACIVSA-N -1 3 378.458 0.888 20 0 GCADHM CS(=O)(=O)CCCOC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737163465 598709599 /nfs/dbraw/zinc/70/95/99/598709599.db2.gz VYZUHCQKMOEAOL-UHFFFAOYSA-N -1 3 391.413 0.226 20 0 GCADHM CS(=O)(=O)CCCOC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737163465 598709600 /nfs/dbraw/zinc/70/96/00/598709600.db2.gz VYZUHCQKMOEAOL-UHFFFAOYSA-N -1 3 391.413 0.226 20 0 GCADHM O=C(N[C@@H](CO)C(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000737996944 598710593 /nfs/dbraw/zinc/71/05/93/598710593.db2.gz SJGBAZWFVIJMQF-HNNXBMFYSA-N -1 3 385.355 0.840 20 0 GCADHM O=C(N[C@@H](CO)C(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000737996944 598710595 /nfs/dbraw/zinc/71/05/95/598710595.db2.gz SJGBAZWFVIJMQF-HNNXBMFYSA-N -1 3 385.355 0.840 20 0 GCADHM CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000736862222 598711041 /nfs/dbraw/zinc/71/10/41/598711041.db2.gz AKBYYHFEPUWRRG-JTQLQIEISA-N -1 3 385.881 0.044 20 0 GCADHM CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000736862222 598711043 /nfs/dbraw/zinc/71/10/43/598711043.db2.gz AKBYYHFEPUWRRG-JTQLQIEISA-N -1 3 385.881 0.044 20 0 GCADHM O=C1CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000738303498 598711653 /nfs/dbraw/zinc/71/16/53/598711653.db2.gz QYNNFXBUGFTNEN-LLVKDONJSA-N -1 3 394.432 0.781 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cccn2)C1 ZINC000738354615 598711904 /nfs/dbraw/zinc/71/19/04/598711904.db2.gz IFJHNOKCSDWGCI-LLVKDONJSA-N -1 3 393.404 0.292 20 0 GCADHM C[C@@H]1CN(C(=O)COC(=O)CSc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736282293 598713177 /nfs/dbraw/zinc/71/31/77/598713177.db2.gz XFIVDMAMFDNAHM-LLVKDONJSA-N -1 3 377.426 0.749 20 0 GCADHM C[C@@H]1CN(C(=O)COC(=O)CSc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736282293 598713178 /nfs/dbraw/zinc/71/31/78/598713178.db2.gz XFIVDMAMFDNAHM-LLVKDONJSA-N -1 3 377.426 0.749 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCn2c(nnc2C2CC2)C1 ZINC000738353964 598713368 /nfs/dbraw/zinc/71/33/68/598713368.db2.gz FSVVXATYXJNCKM-UHFFFAOYSA-N -1 3 390.404 0.679 20 0 GCADHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(=O)NC1CC1 ZINC000736155013 598714478 /nfs/dbraw/zinc/71/44/78/598714478.db2.gz FQJJMJAYMBLDEU-VIFPVBQESA-N -1 3 390.425 0.879 20 0 GCADHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(=O)NC1CC1 ZINC000736155013 598714479 /nfs/dbraw/zinc/71/44/79/598714479.db2.gz FQJJMJAYMBLDEU-VIFPVBQESA-N -1 3 390.425 0.879 20 0 GCADHM CCCN(CC(=O)OC)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736468513 598717865 /nfs/dbraw/zinc/71/78/65/598717865.db2.gz CWERPMFSJDHWCX-UHFFFAOYSA-N -1 3 384.400 0.660 20 0 GCADHM CCCN(CC(=O)OC)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736468513 598717867 /nfs/dbraw/zinc/71/78/67/598717867.db2.gz CWERPMFSJDHWCX-UHFFFAOYSA-N -1 3 384.400 0.660 20 0 GCADHM O=C([C@@H](O)c1cccnc1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737780599 598720593 /nfs/dbraw/zinc/72/05/93/598720593.db2.gz DCKIAOZSDGWYMO-INIZCTEOSA-N -1 3 383.387 0.783 20 0 GCADHM CC(=O)N1CCC(NC(=O)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)CC1 ZINC000735466075 598721668 /nfs/dbraw/zinc/72/16/68/598721668.db2.gz QLXWMSWUVJKPRN-UHFFFAOYSA-N -1 3 394.439 0.857 20 0 GCADHM CC(=O)N1CCC(NC(=O)Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)CC1 ZINC000735466075 598721670 /nfs/dbraw/zinc/72/16/70/598721670.db2.gz QLXWMSWUVJKPRN-UHFFFAOYSA-N -1 3 394.439 0.857 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000738036943 598722352 /nfs/dbraw/zinc/72/23/52/598722352.db2.gz ASOSBMHIYFZMJA-CYBMUJFWSA-N -1 3 399.436 0.653 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](c2nccs2)C1 ZINC000738036943 598722354 /nfs/dbraw/zinc/72/23/54/598722354.db2.gz ASOSBMHIYFZMJA-CYBMUJFWSA-N -1 3 399.436 0.653 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736191272 598722897 /nfs/dbraw/zinc/72/28/97/598722897.db2.gz YOLVLLLNOZOBSV-NHYWBVRUSA-N -1 3 397.395 0.716 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000736191272 598722898 /nfs/dbraw/zinc/72/28/98/598722898.db2.gz YOLVLLLNOZOBSV-NHYWBVRUSA-N -1 3 397.395 0.716 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737610711 598723549 /nfs/dbraw/zinc/72/35/49/598723549.db2.gz QFTDDMMOGGESDF-AWEZNQCLSA-N -1 3 383.368 0.328 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737610711 598723550 /nfs/dbraw/zinc/72/35/50/598723550.db2.gz QFTDDMMOGGESDF-AWEZNQCLSA-N -1 3 383.368 0.328 20 0 GCADHM Cn1cc(N2CC[C@H](OC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737610684 598723584 /nfs/dbraw/zinc/72/35/84/598723584.db2.gz QAANAUWDVXACCY-AWEZNQCLSA-N -1 3 382.384 0.361 20 0 GCADHM O=C(c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)N1CCN(CCO)CC1 ZINC000738272229 598723985 /nfs/dbraw/zinc/72/39/85/598723985.db2.gz ZLCBYVBWVUKMRV-UHFFFAOYSA-N -1 3 395.423 0.804 20 0 GCADHM O=C(c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)N1CCN(CCO)CC1 ZINC000738272229 598723987 /nfs/dbraw/zinc/72/39/87/598723987.db2.gz ZLCBYVBWVUKMRV-UHFFFAOYSA-N -1 3 395.423 0.804 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)ccc1F ZINC000737272532 598727989 /nfs/dbraw/zinc/72/79/89/598727989.db2.gz SMXUWVPBKDVXTG-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)ccc1F ZINC000737272532 598727991 /nfs/dbraw/zinc/72/79/91/598727991.db2.gz SMXUWVPBKDVXTG-UHFFFAOYSA-N -1 3 384.375 0.876 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000736871670 598734255 /nfs/dbraw/zinc/73/42/55/598734255.db2.gz TWBYVVUMHLMAFP-VIFPVBQESA-N -1 3 391.819 0.443 20 0 GCADHM CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000736871670 598734256 /nfs/dbraw/zinc/73/42/56/598734256.db2.gz TWBYVVUMHLMAFP-VIFPVBQESA-N -1 3 391.819 0.443 20 0 GCADHM O=C(CSc1nnnn1C1CC1)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737953556 598737610 /nfs/dbraw/zinc/73/76/10/598737610.db2.gz KVBIOWDDUAAKKP-UHFFFAOYSA-N -1 3 388.417 0.331 20 0 GCADHM O=C(CSc1nnnn1C1CC1)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737953556 598737611 /nfs/dbraw/zinc/73/76/11/598737611.db2.gz KVBIOWDDUAAKKP-UHFFFAOYSA-N -1 3 388.417 0.331 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737204144 598740628 /nfs/dbraw/zinc/74/06/28/598740628.db2.gz YMLHMQWNEDOMNF-UHFFFAOYSA-N -1 3 395.379 0.676 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736181837 598742864 /nfs/dbraw/zinc/74/28/64/598742864.db2.gz BLJJFYVWHMWQQV-MWLCHTKSSA-N -1 3 398.345 0.913 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736181837 598742865 /nfs/dbraw/zinc/74/28/65/598742865.db2.gz BLJJFYVWHMWQQV-MWLCHTKSSA-N -1 3 398.345 0.913 20 0 GCADHM Cc1cnn(C[C@@H]2CN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000737446575 598743354 /nfs/dbraw/zinc/74/33/54/598743354.db2.gz ZXKHDVCBDPPXCS-INIZCTEOSA-N -1 3 383.412 0.678 20 0 GCADHM C[C@H](C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)N1C(=O)CCC1=O ZINC000735521377 598745476 /nfs/dbraw/zinc/74/54/76/598745476.db2.gz UKIZKKCVTWMANJ-GFCCVEGCSA-N -1 3 398.423 0.774 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1 ZINC000736095884 598750333 /nfs/dbraw/zinc/75/03/33/598750333.db2.gz JWAMTILRHOLCHR-LLVKDONJSA-N -1 3 379.380 0.949 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1 ZINC000736095884 598750334 /nfs/dbraw/zinc/75/03/34/598750334.db2.gz JWAMTILRHOLCHR-LLVKDONJSA-N -1 3 379.380 0.949 20 0 GCADHM CS(=O)(=O)NCCC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737169445 598754681 /nfs/dbraw/zinc/75/46/81/598754681.db2.gz YDBRELGDDNDRSF-UHFFFAOYSA-N -1 3 394.457 0.176 20 0 GCADHM CC(=O)N(C)C1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000735459009 598760318 /nfs/dbraw/zinc/76/03/18/598760318.db2.gz VAVJEOCGSRHECV-KRWDZBQOSA-N -1 3 383.456 0.915 20 0 GCADHM C[C@@](O)(CNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CC1 ZINC000736144551 598760514 /nfs/dbraw/zinc/76/05/14/598760514.db2.gz ZRMVWQFCZWJEBO-GOSISDBHSA-N -1 3 386.460 0.691 20 0 GCADHM C[C@@](O)(CNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CC1 ZINC000736144551 598760515 /nfs/dbraw/zinc/76/05/15/598760515.db2.gz ZRMVWQFCZWJEBO-GOSISDBHSA-N -1 3 386.460 0.691 20 0 GCADHM Cc1nc([C@H]2CN([C@H]3CCN(c4ccc(-c5nnn[n-]5)cc4)C3=O)CCO2)no1 ZINC000737473627 598760885 /nfs/dbraw/zinc/76/08/85/598760885.db2.gz FDYGWNFVSLFEEB-LSDHHAIUSA-N -1 3 396.411 0.737 20 0 GCADHM Cc1nc([C@H]2CN([C@H]3CCN(c4ccc(-c5nn[n-]n5)cc4)C3=O)CCO2)no1 ZINC000737473627 598760886 /nfs/dbraw/zinc/76/08/86/598760886.db2.gz FDYGWNFVSLFEEB-LSDHHAIUSA-N -1 3 396.411 0.737 20 0 GCADHM Cc1nc([C@H]2CN(CCC(=O)Nc3ccccc3-c3nnn[n-]3)CCO2)no1 ZINC000737473224 598761039 /nfs/dbraw/zinc/76/10/39/598761039.db2.gz AYLYQTRDBXFCBO-CQSZACIVSA-N -1 3 384.400 0.960 20 0 GCADHM Cc1nc([C@H]2CN(CCC(=O)Nc3ccccc3-c3nn[n-]n3)CCO2)no1 ZINC000737473224 598761041 /nfs/dbraw/zinc/76/10/41/598761041.db2.gz AYLYQTRDBXFCBO-CQSZACIVSA-N -1 3 384.400 0.960 20 0 GCADHM O=C1NCCN1[C@@H]1CCCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000738291397 598761729 /nfs/dbraw/zinc/76/17/29/598761729.db2.gz UPHNDXVVYWWRBM-CVEARBPZSA-N -1 3 396.455 0.462 20 0 GCADHM NC(=O)[C@@H]1Cc2ccccc2N(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737744530 598766427 /nfs/dbraw/zinc/76/64/27/598766427.db2.gz LSTJEXLPYJEWHA-CQSZACIVSA-N -1 3 377.408 0.969 20 0 GCADHM CN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000736732176 598768907 /nfs/dbraw/zinc/76/89/07/598768907.db2.gz BNYAGRDJTFJQJG-LBPRGKRZSA-N -1 3 397.361 0.900 20 0 GCADHM CN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736732173 598769113 /nfs/dbraw/zinc/76/91/13/598769113.db2.gz BNYAGRDJTFJQJG-GFCCVEGCSA-N -1 3 397.361 0.900 20 0 GCADHM COCC1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)CC1 ZINC000736973548 598769190 /nfs/dbraw/zinc/76/91/90/598769190.db2.gz SMFQQDLERKDTRY-IBGZPJMESA-N -1 3 399.455 0.950 20 0 GCADHM C[C@H](NC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1)C(=O)N(C)C ZINC000736112911 598772146 /nfs/dbraw/zinc/77/21/46/598772146.db2.gz KKGIPZLEKVSRHW-LBPRGKRZSA-N -1 3 387.444 0.896 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCC[C@@H]1Cn1cncn1 ZINC000738347667 598777375 /nfs/dbraw/zinc/77/73/75/598777375.db2.gz MJZBEDRZQBOOOF-SNVBAGLBSA-N -1 3 394.848 0.965 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCC[C@@H]1Cn1cncn1 ZINC000738347667 598777377 /nfs/dbraw/zinc/77/73/77/598777377.db2.gz MJZBEDRZQBOOOF-SNVBAGLBSA-N -1 3 394.848 0.965 20 0 GCADHM C[C@@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000736155089 598778824 /nfs/dbraw/zinc/77/88/24/598778824.db2.gz HAIMLAJRZLCIMM-SNVBAGLBSA-N -1 3 390.400 0.802 20 0 GCADHM COc1c(C(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)c(C)nn1C ZINC000737024531 598780006 /nfs/dbraw/zinc/78/00/06/598780006.db2.gz SXWUSANSALVNEG-ZDUSSCGKSA-N -1 3 397.395 0.880 20 0 GCADHM COc1c(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c(C)nn1C ZINC000737024531 598780007 /nfs/dbraw/zinc/78/00/07/598780007.db2.gz SXWUSANSALVNEG-ZDUSSCGKSA-N -1 3 397.395 0.880 20 0 GCADHM CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736330564 598783793 /nfs/dbraw/zinc/78/37/93/598783793.db2.gz MLIRAJCWHYRPKE-LDYMZIIASA-N -1 3 398.370 0.930 20 0 GCADHM CC[C@@H](C)[C@H](O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736330564 598783795 /nfs/dbraw/zinc/78/37/95/598783795.db2.gz MLIRAJCWHYRPKE-LDYMZIIASA-N -1 3 398.370 0.930 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)C(C)(C)C ZINC000736634874 598783994 /nfs/dbraw/zinc/78/39/94/598783994.db2.gz KAPVISDSQTYJHP-CYBMUJFWSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)C(C)(C)C ZINC000736634874 598783995 /nfs/dbraw/zinc/78/39/95/598783995.db2.gz KAPVISDSQTYJHP-CYBMUJFWSA-N -1 3 376.417 0.727 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000737287686 598784585 /nfs/dbraw/zinc/78/45/85/598784585.db2.gz GEVLXMJBMQQDDI-CYBMUJFWSA-N -1 3 381.400 0.396 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1Cn1cncn1 ZINC000737287686 598784586 /nfs/dbraw/zinc/78/45/86/598784586.db2.gz GEVLXMJBMQQDDI-CYBMUJFWSA-N -1 3 381.400 0.396 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H]1Cn1cncn1 ZINC000738162081 598784664 /nfs/dbraw/zinc/78/46/64/598784664.db2.gz ISEAEPFMVHUNHG-NSHDSACASA-N -1 3 385.363 0.227 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H]1Cn1cncn1 ZINC000738162081 598784665 /nfs/dbraw/zinc/78/46/65/598784665.db2.gz ISEAEPFMVHUNHG-NSHDSACASA-N -1 3 385.363 0.227 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)ccc1C(N)=O ZINC000737270146 598785336 /nfs/dbraw/zinc/78/53/36/598785336.db2.gz BHTJSYDBAUESCL-UHFFFAOYSA-N -1 3 379.380 0.529 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)ccc1C(N)=O ZINC000737270146 598785337 /nfs/dbraw/zinc/78/53/37/598785337.db2.gz BHTJSYDBAUESCL-UHFFFAOYSA-N -1 3 379.380 0.529 20 0 GCADHM CCNC(=O)c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC000736578004 598787261 /nfs/dbraw/zinc/78/72/61/598787261.db2.gz OORFSWFPPOXFEB-UHFFFAOYSA-N -1 3 379.428 0.733 20 0 GCADHM CCNC(=O)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC000736578004 598787263 /nfs/dbraw/zinc/78/72/63/598787263.db2.gz OORFSWFPPOXFEB-UHFFFAOYSA-N -1 3 379.428 0.733 20 0 GCADHM CN(C)C(=O)c1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC000736753487 598787957 /nfs/dbraw/zinc/78/79/57/598787957.db2.gz MLWBRJDNSPLZKR-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM CN(C)C(=O)c1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC000736753487 598787960 /nfs/dbraw/zinc/78/79/60/598787960.db2.gz MLWBRJDNSPLZKR-UHFFFAOYSA-N -1 3 379.428 0.685 20 0 GCADHM COC(=O)Cn1cc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736932096 598789216 /nfs/dbraw/zinc/78/92/16/598789216.db2.gz FOASKCFWETYQOF-OAHLLOKOSA-N -1 3 396.411 0.844 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737199804 598790671 /nfs/dbraw/zinc/79/06/71/598790671.db2.gz PJAUILRULULETI-SNVBAGLBSA-N -1 3 378.396 0.931 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737199804 598790672 /nfs/dbraw/zinc/79/06/72/598790672.db2.gz PJAUILRULULETI-SNVBAGLBSA-N -1 3 378.396 0.931 20 0 GCADHM COC(=O)NC(C)(C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736934418 598791767 /nfs/dbraw/zinc/79/17/67/598791767.db2.gz BBOOJZFAHZZPCK-UHFFFAOYSA-N -1 3 391.407 0.789 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)[C@H](C)CS(C)(=O)=O ZINC000736501829 598792867 /nfs/dbraw/zinc/79/28/67/598792867.db2.gz GZDGQDPECTZAGP-VXGBXAGGSA-N -1 3 381.458 0.916 20 0 GCADHM CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)[C@H](C)CS(C)(=O)=O ZINC000736501829 598792869 /nfs/dbraw/zinc/79/28/69/598792869.db2.gz GZDGQDPECTZAGP-VXGBXAGGSA-N -1 3 381.458 0.916 20 0 GCADHM O=C(C(=O)N1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000737782788 598793550 /nfs/dbraw/zinc/79/35/50/598793550.db2.gz NYOHWXYKPXVCJQ-UHFFFAOYSA-N -1 3 389.847 0.791 20 0 GCADHM O=C(C(=O)N1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000737782788 598793551 /nfs/dbraw/zinc/79/35/51/598793551.db2.gz NYOHWXYKPXVCJQ-UHFFFAOYSA-N -1 3 389.847 0.791 20 0 GCADHM O=C(N[C@H]1CCc2ncnn2C1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738038296 598793904 /nfs/dbraw/zinc/79/39/04/598793904.db2.gz YNCSTVOQBLCJHV-DZGCQCFKSA-N -1 3 379.428 0.558 20 0 GCADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCN(CC2CCOCC2)CC1 ZINC000738356419 598795573 /nfs/dbraw/zinc/79/55/73/598795573.db2.gz BJLRGVIXZJGYER-UHFFFAOYSA-N -1 3 392.485 0.600 20 0 GCADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCN(CC2CCOCC2)CC1 ZINC000738356419 598795575 /nfs/dbraw/zinc/79/55/75/598795575.db2.gz BJLRGVIXZJGYER-UHFFFAOYSA-N -1 3 392.485 0.600 20 0 GCADHM CCN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@@H](C)CS(C)(=O)=O ZINC000736510795 598796957 /nfs/dbraw/zinc/79/69/57/598796957.db2.gz KQZCYIPGFAFHHC-LBPRGKRZSA-N -1 3 380.474 0.238 20 0 GCADHM CCN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)[C@@H](C)CS(C)(=O)=O ZINC000736510795 598796959 /nfs/dbraw/zinc/79/69/59/598796959.db2.gz KQZCYIPGFAFHHC-LBPRGKRZSA-N -1 3 380.474 0.238 20 0 GCADHM CCN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(C)(=O)=O ZINC000736520759 598797070 /nfs/dbraw/zinc/79/70/70/598797070.db2.gz BZQGGHLBYYKXOM-TZMCWYRMSA-N -1 3 383.474 0.361 20 0 GCADHM O=C1C[C@H](N2CCc3cncnc3C2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000738300994 598799771 /nfs/dbraw/zinc/79/97/71/598799771.db2.gz HOWVDWFJFTXXTK-HNNXBMFYSA-N -1 3 376.380 0.347 20 0 GCADHM O=C1C[C@H](N2CCc3cncnc3C2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000738300994 598799773 /nfs/dbraw/zinc/79/97/73/598799773.db2.gz HOWVDWFJFTXXTK-HNNXBMFYSA-N -1 3 376.380 0.347 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cn1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000738150435 598804856 /nfs/dbraw/zinc/80/48/56/598804856.db2.gz LYXSODUSBNPWOL-UHFFFAOYSA-N -1 3 385.409 0.955 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cn1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000738150435 598804858 /nfs/dbraw/zinc/80/48/58/598804858.db2.gz LYXSODUSBNPWOL-UHFFFAOYSA-N -1 3 385.409 0.955 20 0 GCADHM COCCN1C[C@@H](C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000737005273 598808532 /nfs/dbraw/zinc/80/85/32/598808532.db2.gz AAEMWHXDHOXPAD-ZDUSSCGKSA-N -1 3 396.411 0.486 20 0 GCADHM O=C(CNC(=O)OCC(F)(F)F)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737888354 598809315 /nfs/dbraw/zinc/80/93/15/598809315.db2.gz BWUCHRDLVRPMNX-UHFFFAOYSA-N -1 3 388.310 0.078 20 0 GCADHM O=C(CNC(=O)OCC(F)(F)F)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737888354 598809316 /nfs/dbraw/zinc/80/93/16/598809316.db2.gz BWUCHRDLVRPMNX-UHFFFAOYSA-N -1 3 388.310 0.078 20 0 GCADHM CC(C)(C(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000735575662 598809576 /nfs/dbraw/zinc/80/95/76/598809576.db2.gz VRHMKMHMAKENHZ-UHFFFAOYSA-N -1 3 392.485 0.729 20 0 GCADHM CC(C)(C(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000735575662 598809577 /nfs/dbraw/zinc/80/95/77/598809577.db2.gz VRHMKMHMAKENHZ-UHFFFAOYSA-N -1 3 392.485 0.729 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736655315 598809672 /nfs/dbraw/zinc/80/96/72/598809672.db2.gz BICNIYLQSWMGHR-RYUDHWBXSA-N -1 3 381.458 0.916 20 0 GCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736655315 598809673 /nfs/dbraw/zinc/80/96/73/598809673.db2.gz BICNIYLQSWMGHR-RYUDHWBXSA-N -1 3 381.458 0.916 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)o1 ZINC000737172617 598810986 /nfs/dbraw/zinc/81/09/86/598810986.db2.gz DKUBFKDCBAGRCQ-UHFFFAOYSA-N -1 3 377.386 0.100 20 0 GCADHM CS(=O)(=O)c1ccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)o1 ZINC000737172617 598810987 /nfs/dbraw/zinc/81/09/87/598810987.db2.gz DKUBFKDCBAGRCQ-UHFFFAOYSA-N -1 3 377.386 0.100 20 0 GCADHM NC(=O)CNc1ccc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826391716 607367478 /nfs/dbraw/zinc/36/74/78/607367478.db2.gz YUBRBNYCAALMNM-UHFFFAOYSA-N -1 3 380.364 0.804 20 0 GCADHM NC(=O)CNc1ccc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826391716 607367480 /nfs/dbraw/zinc/36/74/80/607367480.db2.gz YUBRBNYCAALMNM-UHFFFAOYSA-N -1 3 380.364 0.804 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)c2cocn2)nn1-c1ccccc1 ZINC000737769126 598817602 /nfs/dbraw/zinc/81/76/02/598817602.db2.gz FOKUVZVSSVCMAR-UHFFFAOYSA-N -1 3 379.384 0.985 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)c2cocn2)nn1-c1ccccc1 ZINC000737769126 598817604 /nfs/dbraw/zinc/81/76/04/598817604.db2.gz FOKUVZVSSVCMAR-UHFFFAOYSA-N -1 3 379.384 0.985 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736657868 598820090 /nfs/dbraw/zinc/82/00/90/598820090.db2.gz YNOCEUZVBLSJKU-GFCCVEGCSA-N -1 3 380.474 0.238 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736657868 598820093 /nfs/dbraw/zinc/82/00/93/598820093.db2.gz YNOCEUZVBLSJKU-GFCCVEGCSA-N -1 3 380.474 0.238 20 0 GCADHM CNC(=O)CCN(C)C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000736870114 598822024 /nfs/dbraw/zinc/82/20/24/598822024.db2.gz DYNAWWWYPLUPQY-UHFFFAOYSA-N -1 3 377.474 0.874 20 0 GCADHM CNC(=O)CCN(C)C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000736870114 598822026 /nfs/dbraw/zinc/82/20/26/598822026.db2.gz DYNAWWWYPLUPQY-UHFFFAOYSA-N -1 3 377.474 0.874 20 0 GCADHM CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000735708112 598822260 /nfs/dbraw/zinc/82/22/60/598822260.db2.gz JYQFELPWAJOXJZ-GXFFZTMASA-N -1 3 375.458 0.938 20 0 GCADHM CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735708112 598822261 /nfs/dbraw/zinc/82/22/61/598822261.db2.gz JYQFELPWAJOXJZ-GXFFZTMASA-N -1 3 375.458 0.938 20 0 GCADHM C[C@H]([C@H](C)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000736164400 598822922 /nfs/dbraw/zinc/82/29/22/598822922.db2.gz OHDMRPRBBUKVIL-SDDRHHMPSA-N -1 3 381.458 0.914 20 0 GCADHM c1cnnc(NC[C@@H]2CN(CCOc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000738447613 599293606 /nfs/dbraw/zinc/29/36/06/599293606.db2.gz IJDVCDDYEOZSST-MRXNPFEDSA-N -1 3 382.428 0.848 20 0 GCADHM O=C(NCCN1C(=O)CNC1=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823196462 599295875 /nfs/dbraw/zinc/29/58/75/599295875.db2.gz GBYYKABFPRRRGC-UHFFFAOYSA-N -1 3 398.305 0.559 20 0 GCADHM O=C(NCCN1C(=O)CNC1=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823196462 599295878 /nfs/dbraw/zinc/29/58/78/599295878.db2.gz GBYYKABFPRRRGC-UHFFFAOYSA-N -1 3 398.305 0.559 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000736184280 599296106 /nfs/dbraw/zinc/29/61/06/599296106.db2.gz XPFLCHSJKRSQSJ-YCPHGPKFSA-N -1 3 386.456 0.813 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000736184280 599296108 /nfs/dbraw/zinc/29/61/08/599296108.db2.gz XPFLCHSJKRSQSJ-YCPHGPKFSA-N -1 3 386.456 0.813 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000736171613 599296185 /nfs/dbraw/zinc/29/61/85/599296185.db2.gz XIAYSCQZVHWMEJ-KEYYUXOJSA-N -1 3 386.456 0.813 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000736184279 599296366 /nfs/dbraw/zinc/29/63/66/599296366.db2.gz XPFLCHSJKRSQSJ-OFQRWUPVSA-N -1 3 386.456 0.813 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000736184279 599296367 /nfs/dbraw/zinc/29/63/67/599296367.db2.gz XPFLCHSJKRSQSJ-OFQRWUPVSA-N -1 3 386.456 0.813 20 0 GCADHM Cn1nc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)c2ccccc2c1=O ZINC000737622169 599297054 /nfs/dbraw/zinc/29/70/54/599297054.db2.gz KGALXGHZLKSPMI-UHFFFAOYSA-N -1 3 395.408 0.668 20 0 GCADHM Cn1nc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)c2ccccc2c1=O ZINC000737622169 599297056 /nfs/dbraw/zinc/29/70/56/599297056.db2.gz KGALXGHZLKSPMI-UHFFFAOYSA-N -1 3 395.408 0.668 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000736452641 599299008 /nfs/dbraw/zinc/29/90/08/599299008.db2.gz ZJFWZFYYSZZFKA-UHFFFAOYSA-N -1 3 385.475 0.712 20 0 GCADHM CCCCCS(=O)(=O)CC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000736452641 599299009 /nfs/dbraw/zinc/29/90/09/599299009.db2.gz ZJFWZFYYSZZFKA-UHFFFAOYSA-N -1 3 385.475 0.712 20 0 GCADHM CC[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000736408897 599299014 /nfs/dbraw/zinc/29/90/14/599299014.db2.gz KSOZPJMKIQEZBX-RHSMWYFYSA-N -1 3 386.456 0.815 20 0 GCADHM CC[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000736408898 599299120 /nfs/dbraw/zinc/29/91/20/599299120.db2.gz KSOZPJMKIQEZBX-WMLDXEAASA-N -1 3 386.456 0.815 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@H](N3CCOCC3)C2)c(-c2nnn[n-]2)c1C ZINC000737547294 599302002 /nfs/dbraw/zinc/30/20/02/599302002.db2.gz JVDSCAQADIJWSM-JSGCOSHPSA-N -1 3 389.460 0.810 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@H](N3CCOCC3)C2)c(-c2nn[n-]n2)c1C ZINC000737547294 599302005 /nfs/dbraw/zinc/30/20/05/599302005.db2.gz JVDSCAQADIJWSM-JSGCOSHPSA-N -1 3 389.460 0.810 20 0 GCADHM O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737874974 599302136 /nfs/dbraw/zinc/30/21/36/599302136.db2.gz GWKRMEAVOYPNGH-ZDUSSCGKSA-N -1 3 391.863 0.865 20 0 GCADHM O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737874974 599302138 /nfs/dbraw/zinc/30/21/38/599302138.db2.gz GWKRMEAVOYPNGH-ZDUSSCGKSA-N -1 3 391.863 0.865 20 0 GCADHM O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000737875855 599302245 /nfs/dbraw/zinc/30/22/45/599302245.db2.gz MXCYJVSMQMLHTD-ZDUSSCGKSA-N -1 3 391.863 0.865 20 0 GCADHM O=C(CN1CC[C@H](N2CCOCC2)C1)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000737875855 599302248 /nfs/dbraw/zinc/30/22/48/599302248.db2.gz MXCYJVSMQMLHTD-ZDUSSCGKSA-N -1 3 391.863 0.865 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000737401516 599303464 /nfs/dbraw/zinc/30/34/64/599303464.db2.gz YTRUYVIKDHLZAP-ZDUSSCGKSA-N -1 3 385.428 0.047 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000737401516 599303466 /nfs/dbraw/zinc/30/34/66/599303466.db2.gz YTRUYVIKDHLZAP-ZDUSSCGKSA-N -1 3 385.428 0.047 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1-c1nnn[n-]1 ZINC000737401511 599303563 /nfs/dbraw/zinc/30/35/63/599303563.db2.gz YTRUYVIKDHLZAP-CYBMUJFWSA-N -1 3 385.428 0.047 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000737401511 599303565 /nfs/dbraw/zinc/30/35/65/599303565.db2.gz YTRUYVIKDHLZAP-CYBMUJFWSA-N -1 3 385.428 0.047 20 0 GCADHM CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736733171 599310234 /nfs/dbraw/zinc/31/02/34/599310234.db2.gz RZCGKWJKGPMUSA-MRXNPFEDSA-N -1 3 390.407 0.950 20 0 GCADHM CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736733171 599310237 /nfs/dbraw/zinc/31/02/37/599310237.db2.gz RZCGKWJKGPMUSA-MRXNPFEDSA-N -1 3 390.407 0.950 20 0 GCADHM CC[C@H](C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)N1CCCC1=O ZINC000820843381 599311687 /nfs/dbraw/zinc/31/16/87/599311687.db2.gz XHJBVMAKDVBXSD-CQSZACIVSA-N -1 3 384.444 0.311 20 0 GCADHM CC[C@H](C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)N1CCCC1=O ZINC000820843381 599311689 /nfs/dbraw/zinc/31/16/89/599311689.db2.gz XHJBVMAKDVBXSD-CQSZACIVSA-N -1 3 384.444 0.311 20 0 GCADHM CCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505838 599312273 /nfs/dbraw/zinc/31/22/73/599312273.db2.gz SPOKBEDSMRDIAW-GOSISDBHSA-N -1 3 383.412 0.940 20 0 GCADHM CCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505838 599312275 /nfs/dbraw/zinc/31/22/75/599312275.db2.gz SPOKBEDSMRDIAW-GOSISDBHSA-N -1 3 383.412 0.940 20 0 GCADHM CC[C@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1CCCC1=O ZINC000820842903 599315441 /nfs/dbraw/zinc/31/54/41/599315441.db2.gz QXTAXYCZNQRMCY-CQSZACIVSA-N -1 3 384.444 0.311 20 0 GCADHM CC[C@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1CCCC1=O ZINC000820842903 599315444 /nfs/dbraw/zinc/31/54/44/599315444.db2.gz QXTAXYCZNQRMCY-CQSZACIVSA-N -1 3 384.444 0.311 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000737756343 599317014 /nfs/dbraw/zinc/31/70/14/599317014.db2.gz VWGOTZQCHVMHFK-ZDUSSCGKSA-N -1 3 380.412 0.637 20 0 GCADHM NC(=O)c1cc([C@H]2CCCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000737756343 599317017 /nfs/dbraw/zinc/31/70/17/599317017.db2.gz VWGOTZQCHVMHFK-ZDUSSCGKSA-N -1 3 380.412 0.637 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)C2)n[nH]1 ZINC000737756341 599317053 /nfs/dbraw/zinc/31/70/53/599317053.db2.gz VWGOTZQCHVMHFK-CYBMUJFWSA-N -1 3 380.412 0.637 20 0 GCADHM NC(=O)c1cc([C@@H]2CCCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C2)n[nH]1 ZINC000737756341 599317055 /nfs/dbraw/zinc/31/70/55/599317055.db2.gz VWGOTZQCHVMHFK-CYBMUJFWSA-N -1 3 380.412 0.637 20 0 GCADHM CCN1CCO[C@@H](C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000736567643 599320485 /nfs/dbraw/zinc/32/04/85/599320485.db2.gz CHNTVBJKCNFKMU-QGZVFWFLSA-N -1 3 385.472 0.626 20 0 GCADHM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821655567 599325455 /nfs/dbraw/zinc/32/54/55/599325455.db2.gz NKFYPAOXJXCRCD-NSHDSACASA-N -1 3 394.457 0.647 20 0 GCADHM COC(=O)C1CCN(S(=O)(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821655567 599325456 /nfs/dbraw/zinc/32/54/56/599325456.db2.gz NKFYPAOXJXCRCD-NSHDSACASA-N -1 3 394.457 0.647 20 0 GCADHM COc1ccc(NCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1-n1cnnn1 ZINC000737106413 599330493 /nfs/dbraw/zinc/33/04/93/599330493.db2.gz SPBMZJACNCKZSR-UHFFFAOYSA-N -1 3 392.383 0.902 20 0 GCADHM COc1ccc(NCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1-n1cnnn1 ZINC000737106413 599330495 /nfs/dbraw/zinc/33/04/95/599330495.db2.gz SPBMZJACNCKZSR-UHFFFAOYSA-N -1 3 392.383 0.902 20 0 GCADHM CC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000819796402 599335287 /nfs/dbraw/zinc/33/52/87/599335287.db2.gz HESWSQHBFRSBBJ-UHFFFAOYSA-N -1 3 384.849 0.763 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000821663628 599335927 /nfs/dbraw/zinc/33/59/27/599335927.db2.gz HGULFXTYXJRAOH-UHFFFAOYSA-N -1 3 398.788 0.657 20 0 GCADHM COC(=O)Cn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000821663628 599335929 /nfs/dbraw/zinc/33/59/29/599335929.db2.gz HGULFXTYXJRAOH-UHFFFAOYSA-N -1 3 398.788 0.657 20 0 GCADHM CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000821592505 599336029 /nfs/dbraw/zinc/33/60/29/599336029.db2.gz JBHMSBNQMDBMPU-VIFPVBQESA-N -1 3 391.862 0.328 20 0 GCADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000736197301 599338280 /nfs/dbraw/zinc/33/82/80/599338280.db2.gz MSXNVYSYJOZPTI-CYBMUJFWSA-N -1 3 397.439 0.221 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c[nH]1 ZINC000821667820 599342789 /nfs/dbraw/zinc/34/27/89/599342789.db2.gz BNWVGBDAAMXAQW-UHFFFAOYSA-N -1 3 380.361 0.599 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c[nH]1 ZINC000821667820 599342792 /nfs/dbraw/zinc/34/27/92/599342792.db2.gz BNWVGBDAAMXAQW-UHFFFAOYSA-N -1 3 380.361 0.599 20 0 GCADHM Cc1nnc2n1CCN(S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C2 ZINC000822519192 599343223 /nfs/dbraw/zinc/34/32/23/599343223.db2.gz BAFNOMKOPWDPAJ-UHFFFAOYSA-N -1 3 380.821 0.625 20 0 GCADHM COC(=O)[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(C)(C)C ZINC000736893412 599344354 /nfs/dbraw/zinc/34/43/54/599344354.db2.gz CPKBKIWZGCRNKK-ZDUSSCGKSA-N -1 3 398.427 0.952 20 0 GCADHM COC(=O)[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(C)(C)C ZINC000736893412 599344355 /nfs/dbraw/zinc/34/43/55/599344355.db2.gz CPKBKIWZGCRNKK-ZDUSSCGKSA-N -1 3 398.427 0.952 20 0 GCADHM CN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821595232 599349766 /nfs/dbraw/zinc/34/97/66/599349766.db2.gz PXHGABRJSNPNIR-UHFFFAOYSA-N -1 3 378.336 0.166 20 0 GCADHM CN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821595232 599349770 /nfs/dbraw/zinc/34/97/70/599349770.db2.gz PXHGABRJSNPNIR-UHFFFAOYSA-N -1 3 378.336 0.166 20 0 GCADHM CN([C@@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821592453 599350126 /nfs/dbraw/zinc/35/01/26/599350126.db2.gz GYBIAVLUIBREDH-ZIAGYGMSSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821592453 599350129 /nfs/dbraw/zinc/35/01/29/599350129.db2.gz GYBIAVLUIBREDH-ZIAGYGMSSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821592430 599350164 /nfs/dbraw/zinc/35/01/64/599350164.db2.gz FOKBNIFYCUCPIC-UONOGXRCSA-N -1 3 399.498 0.843 20 0 GCADHM CN([C@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821592430 599350166 /nfs/dbraw/zinc/35/01/66/599350166.db2.gz FOKBNIFYCUCPIC-UONOGXRCSA-N -1 3 399.498 0.843 20 0 GCADHM C[C@H](Oc1ccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1)C(N)=O ZINC000820534225 599350666 /nfs/dbraw/zinc/35/06/66/599350666.db2.gz KHPMOZYXCQFPLD-JTQLQIEISA-N -1 3 389.393 0.887 20 0 GCADHM C[C@H](Oc1ccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1)C(N)=O ZINC000820534225 599350668 /nfs/dbraw/zinc/35/06/68/599350668.db2.gz KHPMOZYXCQFPLD-JTQLQIEISA-N -1 3 389.393 0.887 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000736881230 599351884 /nfs/dbraw/zinc/35/18/84/599351884.db2.gz BZPILCHCVOTLJX-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000736881230 599351887 /nfs/dbraw/zinc/35/18/87/599351887.db2.gz BZPILCHCVOTLJX-JTQLQIEISA-N -1 3 383.409 0.551 20 0 GCADHM COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c[nH]1 ZINC000821668046 599357708 /nfs/dbraw/zinc/35/77/08/599357708.db2.gz MLRSELALJZUTTN-UHFFFAOYSA-N -1 3 392.397 0.339 20 0 GCADHM O=C(CN(CCCO)C1CC1)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000737864587 599358790 /nfs/dbraw/zinc/35/87/90/599358790.db2.gz LASHUXPMVQUVLN-UHFFFAOYSA-N -1 3 382.428 0.838 20 0 GCADHM O=C(CN(CCCO)C1CC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737864587 599358792 /nfs/dbraw/zinc/35/87/92/599358792.db2.gz LASHUXPMVQUVLN-UHFFFAOYSA-N -1 3 382.428 0.838 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(OCC3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895837 599359022 /nfs/dbraw/zinc/35/90/22/599359022.db2.gz ZBKGVWKVMMAHHY-UHFFFAOYSA-N -1 3 378.458 0.910 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(OCC3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895837 599359023 /nfs/dbraw/zinc/35/90/23/599359023.db2.gz ZBKGVWKVMMAHHY-UHFFFAOYSA-N -1 3 378.458 0.910 20 0 GCADHM O=C([C@@H](O)C1CCOCC1)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000737782134 599360354 /nfs/dbraw/zinc/36/03/54/599360354.db2.gz LIJKPQNIQBZWAU-INIZCTEOSA-N -1 3 390.419 0.442 20 0 GCADHM O=C([C@@H](O)C1CCOCC1)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000737782134 599360357 /nfs/dbraw/zinc/36/03/57/599360357.db2.gz LIJKPQNIQBZWAU-INIZCTEOSA-N -1 3 390.419 0.442 20 0 GCADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000822136294 599360460 /nfs/dbraw/zinc/36/04/60/599360460.db2.gz KJOLUSYCHVMSBV-UHFFFAOYSA-N -1 3 376.398 0.689 20 0 GCADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000822136294 599360463 /nfs/dbraw/zinc/36/04/63/599360463.db2.gz KJOLUSYCHVMSBV-UHFFFAOYSA-N -1 3 376.398 0.689 20 0 GCADHM C[C@H](OC(=O)[C@H](O)C1CCOCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736154617 599367557 /nfs/dbraw/zinc/36/75/57/599367557.db2.gz XBYUILZFXJSIMB-IINYFYTJSA-N -1 3 375.385 0.524 20 0 GCADHM C[C@H](OC(=O)[C@H](O)C1CCOCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736154617 599367559 /nfs/dbraw/zinc/36/75/59/599367559.db2.gz XBYUILZFXJSIMB-IINYFYTJSA-N -1 3 375.385 0.524 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000823607842 599367863 /nfs/dbraw/zinc/36/78/63/599367863.db2.gz YGAZCBPHFBCZST-CQSZACIVSA-N -1 3 378.458 0.352 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H]1CN1CCOCC1 ZINC000823607842 599367866 /nfs/dbraw/zinc/36/78/66/599367866.db2.gz YGAZCBPHFBCZST-CQSZACIVSA-N -1 3 378.458 0.352 20 0 GCADHM CC(C)N1C(=O)CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1(C)C ZINC000820129015 599368865 /nfs/dbraw/zinc/36/88/65/599368865.db2.gz VOGXJKMARQVPKN-UHFFFAOYSA-N -1 3 378.458 0.887 20 0 GCADHM CC(C)N1C(=O)CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1(C)C ZINC000820129015 599368867 /nfs/dbraw/zinc/36/88/67/599368867.db2.gz VOGXJKMARQVPKN-UHFFFAOYSA-N -1 3 378.458 0.887 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825034716 607371525 /nfs/dbraw/zinc/37/15/25/607371525.db2.gz NYMMNIFVLMHQPM-GFCCVEGCSA-N -1 3 375.410 0.904 20 0 GCADHM CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825034716 607371527 /nfs/dbraw/zinc/37/15/27/607371527.db2.gz NYMMNIFVLMHQPM-GFCCVEGCSA-N -1 3 375.410 0.904 20 0 GCADHM O=S(=O)(c1cccc(-c2nnn[n-]2)c1)N1CCCC[C@H]1CN1CCOCC1 ZINC000823606527 599373099 /nfs/dbraw/zinc/37/30/99/599373099.db2.gz JXEDPSQHJVTBDR-HNNXBMFYSA-N -1 3 392.485 0.742 20 0 GCADHM O=S(=O)(c1cccc(-c2nn[n-]n2)c1)N1CCCC[C@H]1CN1CCOCC1 ZINC000823606527 599373102 /nfs/dbraw/zinc/37/31/02/599373102.db2.gz JXEDPSQHJVTBDR-HNNXBMFYSA-N -1 3 392.485 0.742 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1=O ZINC000820674874 599374519 /nfs/dbraw/zinc/37/45/19/599374519.db2.gz GWLVCJFXZPVKKG-KKFJDGPESA-N -1 3 380.405 0.293 20 0 GCADHM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1=O ZINC000820674874 599374522 /nfs/dbraw/zinc/37/45/22/599374522.db2.gz GWLVCJFXZPVKKG-KKFJDGPESA-N -1 3 380.405 0.293 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000823600324 599375651 /nfs/dbraw/zinc/37/56/51/599375651.db2.gz GITIOZXXISPMIV-LLVKDONJSA-N -1 3 378.393 0.623 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC[C@@H](n2cncn2)C1 ZINC000823600324 599375652 /nfs/dbraw/zinc/37/56/52/599375652.db2.gz GITIOZXXISPMIV-LLVKDONJSA-N -1 3 378.393 0.623 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000822223964 599375657 /nfs/dbraw/zinc/37/56/57/599375657.db2.gz QIUQYOSMVZYTHN-RTXFEEFZSA-N -1 3 376.442 0.463 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000822223964 599375658 /nfs/dbraw/zinc/37/56/58/599375658.db2.gz QIUQYOSMVZYTHN-RTXFEEFZSA-N -1 3 376.442 0.463 20 0 GCADHM O=c1c2c(ncn1Cc1nnc(-c3cccc(-c4nnn[n-]4)c3)o1)NCCC2 ZINC000823656186 599385321 /nfs/dbraw/zinc/38/53/21/599385321.db2.gz AANINJSRFBGGQS-UHFFFAOYSA-N -1 3 377.368 0.880 20 0 GCADHM O=c1c2c(ncn1Cc1nnc(-c3cccc(-c4nn[n-]n4)c3)o1)NCCC2 ZINC000823656186 599385324 /nfs/dbraw/zinc/38/53/24/599385324.db2.gz AANINJSRFBGGQS-UHFFFAOYSA-N -1 3 377.368 0.880 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1sccc1-c1nnn[n-]1)CC2 ZINC000737769933 599385476 /nfs/dbraw/zinc/38/54/76/599385476.db2.gz RHXUPPILTTVASR-UHFFFAOYSA-N -1 3 376.423 0.779 20 0 GCADHM NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1sccc1-c1nn[n-]n1)CC2 ZINC000737769933 599385478 /nfs/dbraw/zinc/38/54/78/599385478.db2.gz RHXUPPILTTVASR-UHFFFAOYSA-N -1 3 376.423 0.779 20 0 GCADHM NC(=O)NCCNC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000737758391 599385894 /nfs/dbraw/zinc/38/58/94/599385894.db2.gz KITOQPYMAAVHQJ-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM NC(=O)NCCNC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000737758391 599385897 /nfs/dbraw/zinc/38/58/97/599385897.db2.gz KITOQPYMAAVHQJ-UHFFFAOYSA-N -1 3 381.396 0.844 20 0 GCADHM CCN1C(=O)CN(CN2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)C1=O ZINC000736564252 599393482 /nfs/dbraw/zinc/39/34/82/599393482.db2.gz BPMYUOCAOKYYBI-UHFFFAOYSA-N -1 3 388.407 0.369 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000737025613 599393701 /nfs/dbraw/zinc/39/37/01/599393701.db2.gz XWOSVDLLZDUWCD-MNOVXSKESA-N -1 3 395.441 0.288 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000737025613 599393705 /nfs/dbraw/zinc/39/37/05/599393705.db2.gz XWOSVDLLZDUWCD-MNOVXSKESA-N -1 3 395.441 0.288 20 0 GCADHM O=C(COC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826482033 607372960 /nfs/dbraw/zinc/37/29/60/607372960.db2.gz PVOGDYCWLADXRA-UHFFFAOYSA-N -1 3 398.379 0.361 20 0 GCADHM O=C(COC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826482033 607372962 /nfs/dbraw/zinc/37/29/62/607372962.db2.gz PVOGDYCWLADXRA-UHFFFAOYSA-N -1 3 398.379 0.361 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826233877 607373774 /nfs/dbraw/zinc/37/37/74/607373774.db2.gz YNTDYASDSGEKNQ-UHFFFAOYSA-N -1 3 393.363 0.480 20 0 GCADHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826233877 607373775 /nfs/dbraw/zinc/37/37/75/607373775.db2.gz YNTDYASDSGEKNQ-UHFFFAOYSA-N -1 3 393.363 0.480 20 0 GCADHM COC[C@@H](C)NC(=O)NC(=O)CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821681191 607374649 /nfs/dbraw/zinc/37/46/49/607374649.db2.gz DNMTUZZECCKODX-LLVKDONJSA-N -1 3 391.432 0.927 20 0 GCADHM COC[C@@H](C)NC(=O)NC(=O)CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821681191 607374651 /nfs/dbraw/zinc/37/46/51/607374651.db2.gz DNMTUZZECCKODX-LLVKDONJSA-N -1 3 391.432 0.927 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657470 599411633 /nfs/dbraw/zinc/41/16/33/599411633.db2.gz LSGORELWNRFUKD-IAQYHMDHSA-N -1 3 395.427 0.593 20 0 GCADHM C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657470 599411635 /nfs/dbraw/zinc/41/16/35/599411635.db2.gz LSGORELWNRFUKD-IAQYHMDHSA-N -1 3 395.427 0.593 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657469 599411837 /nfs/dbraw/zinc/41/18/37/599411837.db2.gz LSGORELWNRFUKD-ABAIWWIYSA-N -1 3 395.427 0.593 20 0 GCADHM C[C@@H]1C[C@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820657469 599411839 /nfs/dbraw/zinc/41/18/39/599411839.db2.gz LSGORELWNRFUKD-ABAIWWIYSA-N -1 3 395.427 0.593 20 0 GCADHM CC[C@H](C)NC(=O)CCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820875458 599423021 /nfs/dbraw/zinc/42/30/21/599423021.db2.gz AMJRULTZJOQMIK-LBPRGKRZSA-N -1 3 375.433 0.850 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824677934 607376290 /nfs/dbraw/zinc/37/62/90/607376290.db2.gz JKNWMWYQBOXIPL-HZMBPMFUSA-N -1 3 389.412 0.504 20 0 GCADHM C[C@H](O)[C@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824677934 607376292 /nfs/dbraw/zinc/37/62/92/607376292.db2.gz JKNWMWYQBOXIPL-HZMBPMFUSA-N -1 3 389.412 0.504 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824677496 607376302 /nfs/dbraw/zinc/37/63/02/607376302.db2.gz FQVUCLWGPRSFNI-QMTHXVAHSA-N -1 3 389.412 0.504 20 0 GCADHM C[C@@H](O)[C@@H](NC(=O)C(C)(C)C)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824677496 607376304 /nfs/dbraw/zinc/37/63/04/607376304.db2.gz FQVUCLWGPRSFNI-QMTHXVAHSA-N -1 3 389.412 0.504 20 0 GCADHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820875416 599431058 /nfs/dbraw/zinc/43/10/58/599431058.db2.gz AAPUEXUGBRBEGD-VXGBXAGGSA-N -1 3 375.433 0.848 20 0 GCADHM COC(=O)N1CCC(NC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821664655 599431365 /nfs/dbraw/zinc/43/13/65/599431365.db2.gz DCPBQYAYLNLXIQ-UHFFFAOYSA-N -1 3 389.416 0.776 20 0 GCADHM CC(=O)N1CCC(CNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819789266 599435612 /nfs/dbraw/zinc/43/56/12/599435612.db2.gz LIHAQTQDZRPDSW-UHFFFAOYSA-N -1 3 387.444 0.803 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)c1cnn(C)c1 ZINC000820352555 599444897 /nfs/dbraw/zinc/44/48/97/599444897.db2.gz VWNDTEBTWRQMIL-LBPRGKRZSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)c1cnn(C)c1 ZINC000820352555 599444899 /nfs/dbraw/zinc/44/48/99/599444899.db2.gz VWNDTEBTWRQMIL-LBPRGKRZSA-N -1 3 382.432 0.588 20 0 GCADHM C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820368288 599446719 /nfs/dbraw/zinc/44/67/19/599446719.db2.gz ZLSGKLMVOZDKJP-LLVKDONJSA-N -1 3 382.446 0.288 20 0 GCADHM C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820368288 599446723 /nfs/dbraw/zinc/44/67/23/599446723.db2.gz ZLSGKLMVOZDKJP-LLVKDONJSA-N -1 3 382.446 0.288 20 0 GCADHM Cc1nc(CNC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000822444303 599449058 /nfs/dbraw/zinc/44/90/58/599449058.db2.gz KWKFTQLWAJMBNV-UHFFFAOYSA-N -1 3 383.416 0.586 20 0 GCADHM C[C@@](O)(CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)c1ccco1 ZINC000820468068 599449420 /nfs/dbraw/zinc/44/94/20/599449420.db2.gz QFZNYYRQOZGVLI-GOSISDBHSA-N -1 3 394.395 0.865 20 0 GCADHM C[C@@](O)(CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)c1ccco1 ZINC000820468068 599449422 /nfs/dbraw/zinc/44/94/22/599449422.db2.gz QFZNYYRQOZGVLI-GOSISDBHSA-N -1 3 394.395 0.865 20 0 GCADHM O=S(=O)(NCCNc1ncccn1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738337916 599450413 /nfs/dbraw/zinc/45/04/13/599450413.db2.gz IFDBBWGYUSTOIK-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=S(=O)(NCCNc1ncccn1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738337916 599450415 /nfs/dbraw/zinc/45/04/15/599450415.db2.gz IFDBBWGYUSTOIK-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM Cn1cc([C@H](O)CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822669780 599451383 /nfs/dbraw/zinc/45/13/83/599451383.db2.gz PBROPRVBULOFSD-MRXNPFEDSA-N -1 3 385.428 0.999 20 0 GCADHM Cn1cc([C@H](O)CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822669780 599451386 /nfs/dbraw/zinc/45/13/86/599451386.db2.gz PBROPRVBULOFSD-MRXNPFEDSA-N -1 3 385.428 0.999 20 0 GCADHM C[C@H]1CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820733562 599451965 /nfs/dbraw/zinc/45/19/65/599451965.db2.gz HDHFMXCEOFQQGQ-NSHDSACASA-N -1 3 380.430 0.074 20 0 GCADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820813755 599452057 /nfs/dbraw/zinc/45/20/57/599452057.db2.gz MPYQXJOZSSVMBO-LLVKDONJSA-N -1 3 380.430 0.074 20 0 GCADHM C[C@H]1CS(=O)(=O)CCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000820813758 599452202 /nfs/dbraw/zinc/45/22/02/599452202.db2.gz MPYQXJOZSSVMBO-NSHDSACASA-N -1 3 380.430 0.074 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821597626 599452298 /nfs/dbraw/zinc/45/22/98/599452298.db2.gz BGMIXFVPBJDETA-LBPRGKRZSA-N -1 3 394.457 0.322 20 0 GCADHM O=C(CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)Nc1cccnc1 ZINC000823001931 599452681 /nfs/dbraw/zinc/45/26/81/599452681.db2.gz QMFRRRSVQXOQPY-UHFFFAOYSA-N -1 3 382.384 0.578 20 0 GCADHM CCN(C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)CS(C)(=O)=O ZINC000821154778 599454220 /nfs/dbraw/zinc/45/42/20/599454220.db2.gz RHMKRCYISKVWMC-LBPRGKRZSA-N -1 3 396.473 0.710 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cnccn2)CC1 ZINC000823210655 599454994 /nfs/dbraw/zinc/45/49/94/599454994.db2.gz DAFHGHQHZGAHLO-UHFFFAOYSA-N -1 3 395.427 0.567 20 0 GCADHM NC(=O)NC[C@H]1CCCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822873831 599455029 /nfs/dbraw/zinc/45/50/29/599455029.db2.gz LWEHICXPQFCVAM-GFCCVEGCSA-N -1 3 388.432 0.335 20 0 GCADHM Cn1cnnc1C1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822704079 599455126 /nfs/dbraw/zinc/45/51/26/599455126.db2.gz GQAACDGESOQVCX-UHFFFAOYSA-N -1 3 397.443 0.963 20 0 GCADHM CC1(C)[C@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]2CCCO[C@@H]21 ZINC000820583941 599455854 /nfs/dbraw/zinc/45/58/54/599455854.db2.gz GTCLFDLMDYALCF-BMFZPTHFSA-N -1 3 384.440 0.916 20 0 GCADHM CC1(C)[C@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]2CCCO[C@@H]21 ZINC000820583941 599455855 /nfs/dbraw/zinc/45/58/55/599455855.db2.gz GTCLFDLMDYALCF-BMFZPTHFSA-N -1 3 384.440 0.916 20 0 GCADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N1CCN(c2ncccn2)CC1 ZINC000823233388 599459683 /nfs/dbraw/zinc/45/96/83/599459683.db2.gz GOLIAMKWMRGDOR-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N1CCN(c2ncccn2)CC1 ZINC000823233388 599459684 /nfs/dbraw/zinc/45/96/84/599459684.db2.gz GOLIAMKWMRGDOR-UHFFFAOYSA-N -1 3 383.391 0.828 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000821578287 599460640 /nfs/dbraw/zinc/46/06/40/599460640.db2.gz WYWAHYIFYQDFJW-UHFFFAOYSA-N -1 3 376.396 0.515 20 0 GCADHM CN(C)C(=O)N1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000821578287 599460641 /nfs/dbraw/zinc/46/06/41/599460641.db2.gz WYWAHYIFYQDFJW-UHFFFAOYSA-N -1 3 376.396 0.515 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC000821326259 599463697 /nfs/dbraw/zinc/46/36/97/599463697.db2.gz WECZVZFAKNVKSN-CYBMUJFWSA-N -1 3 378.364 0.479 20 0 GCADHM CCOC(=O)[C@H]1CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC000821326259 599463700 /nfs/dbraw/zinc/46/37/00/599463700.db2.gz WECZVZFAKNVKSN-CYBMUJFWSA-N -1 3 378.364 0.479 20 0 GCADHM Cc1nccc(N2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000822472435 599465848 /nfs/dbraw/zinc/46/58/48/599465848.db2.gz SRXICGKMJJARPM-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1nccc(N2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000822472435 599465851 /nfs/dbraw/zinc/46/58/51/599465851.db2.gz SRXICGKMJJARPM-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC000820134333 599466482 /nfs/dbraw/zinc/46/64/82/599466482.db2.gz YSSVCJAHHHQLEZ-UHFFFAOYSA-N -1 3 377.836 0.693 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC000820134333 599466486 /nfs/dbraw/zinc/46/64/86/599466486.db2.gz YSSVCJAHHHQLEZ-UHFFFAOYSA-N -1 3 377.836 0.693 20 0 GCADHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822491872 599467243 /nfs/dbraw/zinc/46/72/43/599467243.db2.gz HVIGXNVIDXEGTR-LLVKDONJSA-N -1 3 396.455 0.694 20 0 GCADHM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822491872 599467245 /nfs/dbraw/zinc/46/72/45/599467245.db2.gz HVIGXNVIDXEGTR-LLVKDONJSA-N -1 3 396.455 0.694 20 0 GCADHM C[C@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820348604 599470359 /nfs/dbraw/zinc/47/03/59/599470359.db2.gz DUBKEEKTBONSSV-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM C[C@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820348604 599470361 /nfs/dbraw/zinc/47/03/61/599470361.db2.gz DUBKEEKTBONSSV-SMDDNHRTSA-N -1 3 393.473 0.651 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCNc2ncccn2)c(-c2nnn[n-]2)c1 ZINC000822898957 599487420 /nfs/dbraw/zinc/48/74/20/599487420.db2.gz CLIXZDJUZYQQLD-UHFFFAOYSA-N -1 3 375.418 0.218 20 0 GCADHM NS(=O)(=O)c1ccc(NCCCNc2ncccn2)c(-c2nn[n-]n2)c1 ZINC000822898957 599487423 /nfs/dbraw/zinc/48/74/23/599487423.db2.gz CLIXZDJUZYQQLD-UHFFFAOYSA-N -1 3 375.418 0.218 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@H](C)NS(C)(=O)=O ZINC000735828936 599494405 /nfs/dbraw/zinc/49/44/05/599494405.db2.gz CHOPOXYIQBZBAL-LBPRGKRZSA-N -1 3 380.474 0.789 20 0 GCADHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@H](C)NS(C)(=O)=O ZINC000735828936 599494406 /nfs/dbraw/zinc/49/44/06/599494406.db2.gz CHOPOXYIQBZBAL-LBPRGKRZSA-N -1 3 380.474 0.789 20 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GCADHM Cn1ccc(NC(=O)C(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000737614451 599510279 /nfs/dbraw/zinc/51/02/79/599510279.db2.gz XPQHYYSRTKTBOP-UHFFFAOYSA-N -1 3 395.427 0.278 20 0 GCADHM CCCOC(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736488465 599512713 /nfs/dbraw/zinc/51/27/13/599512713.db2.gz QZVUFJDXVWGYAB-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM CCCOC(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736488465 599512715 /nfs/dbraw/zinc/51/27/15/599512715.db2.gz QZVUFJDXVWGYAB-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM CC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000736314641 599512815 /nfs/dbraw/zinc/51/28/15/599512815.db2.gz FPYZSNLSTYAYKB-KRWDZBQOSA-N -1 3 376.417 0.870 20 0 GCADHM CC[C@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000736314641 599512816 /nfs/dbraw/zinc/51/28/16/599512816.db2.gz FPYZSNLSTYAYKB-KRWDZBQOSA-N -1 3 376.417 0.870 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1nc(C)no1 ZINC000736633468 599513739 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GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCc2nccn2C1 ZINC000736636813 599514202 /nfs/dbraw/zinc/51/42/02/599514202.db2.gz SMMPWVCOZCKZKD-LBPRGKRZSA-N -1 3 396.411 0.532 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735692463 599514818 /nfs/dbraw/zinc/51/48/18/599514818.db2.gz IIQPEZINXGHKLB-INIZCTEOSA-N -1 3 398.370 0.930 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735692463 599514821 /nfs/dbraw/zinc/51/48/21/599514821.db2.gz IIQPEZINXGHKLB-INIZCTEOSA-N -1 3 398.370 0.930 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000736224002 599516126 /nfs/dbraw/zinc/51/61/26/599516126.db2.gz KXILTCOHZKUGDZ-WBOIOXJYSA-N -1 3 396.860 0.827 20 0 GCADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000736224002 599516130 /nfs/dbraw/zinc/51/61/30/599516130.db2.gz KXILTCOHZKUGDZ-WBOIOXJYSA-N -1 3 396.860 0.827 20 0 GCADHM CCS(=O)(=O)NCCNc1c(-c2nnn[n-]2)cnc2c(C)cc(F)cc21 ZINC000821442961 599516276 /nfs/dbraw/zinc/51/62/76/599516276.db2.gz YXOJYSRJPUOBRY-UHFFFAOYSA-N -1 3 379.421 0.636 20 0 GCADHM CCS(=O)(=O)NCCNc1c(-c2nn[n-]n2)cnc2c(C)cc(F)cc21 ZINC000821442961 599516277 /nfs/dbraw/zinc/51/62/77/599516277.db2.gz YXOJYSRJPUOBRY-UHFFFAOYSA-N -1 3 379.421 0.636 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C ZINC000737287104 599517132 /nfs/dbraw/zinc/51/71/32/599517132.db2.gz BRAMSTDTLWYBPZ-KDHKCVMQSA-N -1 3 376.442 0.482 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C ZINC000737287104 599517134 /nfs/dbraw/zinc/51/71/34/599517134.db2.gz BRAMSTDTLWYBPZ-KDHKCVMQSA-N -1 3 376.442 0.482 20 0 GCADHM COC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cc2C)CC1 ZINC000826134332 607382083 /nfs/dbraw/zinc/38/20/83/607382083.db2.gz VIYOAXZKOMNHSX-UHFFFAOYSA-N -1 3 387.396 0.744 20 0 GCADHM COC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000826134332 607382085 /nfs/dbraw/zinc/38/20/85/607382085.db2.gz VIYOAXZKOMNHSX-UHFFFAOYSA-N -1 3 387.396 0.744 20 0 GCADHM CC(C)(C)OC(=O)NCCCNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000819940392 599525425 /nfs/dbraw/zinc/52/54/25/599525425.db2.gz ZSPKIIXQSOOCSM-UHFFFAOYSA-N -1 3 397.461 0.841 20 0 GCADHM CC(C)(C)OC(=O)NCCCNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000819940392 599525427 /nfs/dbraw/zinc/52/54/27/599525427.db2.gz ZSPKIIXQSOOCSM-UHFFFAOYSA-N -1 3 397.461 0.841 20 0 GCADHM C[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1cccc(-c2nnn[n-]2)c1 ZINC000820322691 599529082 /nfs/dbraw/zinc/52/90/82/599529082.db2.gz UHNVCHIWJOFTFL-NSHDSACASA-N -1 3 399.436 0.542 20 0 GCADHM C[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1cccc(-c2nn[n-]n2)c1 ZINC000820322691 599529084 /nfs/dbraw/zinc/52/90/84/599529084.db2.gz UHNVCHIWJOFTFL-NSHDSACASA-N -1 3 399.436 0.542 20 0 GCADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1snc(Cl)c1-c1nnn[n-]1 ZINC000820752183 599536127 /nfs/dbraw/zinc/53/61/27/599536127.db2.gz LDTHWRGWSNOJMX-WDEREUQCSA-N -1 3 398.924 0.818 20 0 GCADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1snc(Cl)c1-c1nn[n-]n1 ZINC000820752183 599536130 /nfs/dbraw/zinc/53/61/30/599536130.db2.gz LDTHWRGWSNOJMX-WDEREUQCSA-N -1 3 398.924 0.818 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(Cn3cccn3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895189 599538424 /nfs/dbraw/zinc/53/84/24/599538424.db2.gz NGVKZVNDIUAKRE-UHFFFAOYSA-N -1 3 388.457 0.627 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCC(Cn3cccn3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895189 599538426 /nfs/dbraw/zinc/53/84/26/599538426.db2.gz NGVKZVNDIUAKRE-UHFFFAOYSA-N -1 3 388.457 0.627 20 0 GCADHM C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323368 599538985 /nfs/dbraw/zinc/53/89/85/599538985.db2.gz YEVOPKXNLKYCIZ-NSHDSACASA-N -1 3 378.458 0.716 20 0 GCADHM C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323368 599538987 /nfs/dbraw/zinc/53/89/87/599538987.db2.gz YEVOPKXNLKYCIZ-NSHDSACASA-N -1 3 378.458 0.716 20 0 GCADHM COc1cccc([C@@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)c1 ZINC000821864157 599549986 /nfs/dbraw/zinc/54/99/86/599549986.db2.gz UKAZWZTUAGRJFP-HNNXBMFYSA-N -1 3 390.425 0.668 20 0 GCADHM COc1cccc([C@@H](O)CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)c1 ZINC000821864157 599549988 /nfs/dbraw/zinc/54/99/88/599549988.db2.gz UKAZWZTUAGRJFP-HNNXBMFYSA-N -1 3 390.425 0.668 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820328633 599552134 /nfs/dbraw/zinc/55/21/34/599552134.db2.gz PYVBLMDRSVCTEW-RISCZKNCSA-N -1 3 378.458 0.163 20 0 GCADHM C[C@@H](NC(=O)CN(C)[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820328633 599552137 /nfs/dbraw/zinc/55/21/37/599552137.db2.gz PYVBLMDRSVCTEW-RISCZKNCSA-N -1 3 378.458 0.163 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000737033753 599555853 /nfs/dbraw/zinc/55/58/53/599555853.db2.gz SITYWPYXNSQQSQ-CYBMUJFWSA-N -1 3 388.428 0.723 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N(C)[C@@H]1CCN(C)C1=O ZINC000737033753 599555856 /nfs/dbraw/zinc/55/58/56/599555856.db2.gz SITYWPYXNSQQSQ-CYBMUJFWSA-N -1 3 388.428 0.723 20 0 GCADHM COc1cccc(C(=O)NCC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821860157 599557165 /nfs/dbraw/zinc/55/71/65/599557165.db2.gz YCGNFXFNQUDNTM-UHFFFAOYSA-N -1 3 396.407 0.800 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)C1 ZINC000821575476 599559770 /nfs/dbraw/zinc/55/97/70/599559770.db2.gz CWCNYLDVXGMMDX-QWRGUYRKSA-N -1 3 393.473 0.573 20 0 GCADHM CN(C)C(=O)[C@H]1CCC[C@H](Nc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)C1 ZINC000821575476 599559771 /nfs/dbraw/zinc/55/97/71/599559771.db2.gz CWCNYLDVXGMMDX-QWRGUYRKSA-N -1 3 393.473 0.573 20 0 GCADHM CN(C)C(=O)CN1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000821576019 599562654 /nfs/dbraw/zinc/56/26/54/599562654.db2.gz YUHSTZLLSWPTCR-UHFFFAOYSA-N -1 3 397.443 0.123 20 0 GCADHM CN(C)C(=O)CN1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000821576019 599562656 /nfs/dbraw/zinc/56/26/56/599562656.db2.gz YUHSTZLLSWPTCR-UHFFFAOYSA-N -1 3 397.443 0.123 20 0 GCADHM COc1ccc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)nn1 ZINC000737067339 599565693 /nfs/dbraw/zinc/56/56/93/599565693.db2.gz UNBASAQDVINQCN-UHFFFAOYSA-N -1 3 384.375 0.767 20 0 GCADHM COc1ccc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)nn1 ZINC000737067339 599565695 /nfs/dbraw/zinc/56/56/95/599565695.db2.gz UNBASAQDVINQCN-UHFFFAOYSA-N -1 3 384.375 0.767 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCO[C@H](C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822895409 599567700 /nfs/dbraw/zinc/56/77/00/599567700.db2.gz QWFKQVCGYXEXBZ-JTQLQIEISA-N -1 3 378.336 0.282 20 0 GCADHM NS(=O)(=O)c1ccc(N2CCO[C@H](C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822895409 599567702 /nfs/dbraw/zinc/56/77/02/599567702.db2.gz QWFKQVCGYXEXBZ-JTQLQIEISA-N -1 3 378.336 0.282 20 0 GCADHM CC(=O)NC[C@@H]1CN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCO1 ZINC000819810250 599574912 /nfs/dbraw/zinc/57/49/12/599574912.db2.gz DFFGMZUSXWYVSN-CQSZACIVSA-N -1 3 384.400 0.254 20 0 GCADHM CC(=O)NC[C@@H]1CN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCO1 ZINC000819810250 599574915 /nfs/dbraw/zinc/57/49/15/599574915.db2.gz DFFGMZUSXWYVSN-CQSZACIVSA-N -1 3 384.400 0.254 20 0 GCADHM c1ncn(C[C@H]2CN(Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CCO2)n1 ZINC000823821536 599574948 /nfs/dbraw/zinc/57/49/48/599574948.db2.gz WGOBXUQYIOEIRJ-CQSZACIVSA-N -1 3 394.399 0.409 20 0 GCADHM c1ncn(C[C@H]2CN(Cc3nnc(-c4ccc(-c5nn[n-]n5)cc4)o3)CCO2)n1 ZINC000823821536 599574951 /nfs/dbraw/zinc/57/49/51/599574951.db2.gz WGOBXUQYIOEIRJ-CQSZACIVSA-N -1 3 394.399 0.409 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820643791 599575075 /nfs/dbraw/zinc/57/50/75/599575075.db2.gz ZJDZJDQKLNHSDW-GHMZBOCLSA-N -1 3 389.441 0.924 20 0 GCADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820643791 599575078 /nfs/dbraw/zinc/57/50/78/599575078.db2.gz ZJDZJDQKLNHSDW-GHMZBOCLSA-N -1 3 389.441 0.924 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737739806 599575900 /nfs/dbraw/zinc/57/59/00/599575900.db2.gz RAXYCIVQLQFJAM-IIAWOOMASA-N -1 3 383.456 0.996 20 0 GCADHM NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737739808 599576202 /nfs/dbraw/zinc/57/62/02/599576202.db2.gz RAXYCIVQLQFJAM-YCPHGPKFSA-N -1 3 383.456 0.996 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCC1(O)Cc2ccccc2C1 ZINC000737022975 599576302 /nfs/dbraw/zinc/57/63/02/599576302.db2.gz HDGRGJMTHSOEOJ-UHFFFAOYSA-N -1 3 395.419 0.900 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCC1(O)Cc2ccccc2C1 ZINC000737022975 599576305 /nfs/dbraw/zinc/57/63/05/599576305.db2.gz HDGRGJMTHSOEOJ-UHFFFAOYSA-N -1 3 395.419 0.900 20 0 GCADHM CC[C@@H]1COCCN1CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736408826 599577777 /nfs/dbraw/zinc/57/77/77/599577777.db2.gz VMUBYHLHPARFMF-CQSZACIVSA-N -1 3 385.428 0.699 20 0 GCADHM CC[C@@H]1COCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736408826 599577780 /nfs/dbraw/zinc/57/77/80/599577780.db2.gz VMUBYHLHPARFMF-CQSZACIVSA-N -1 3 385.428 0.699 20 0 GCADHM CN(C[C@@H]1CCCO1)CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736789922 599578413 /nfs/dbraw/zinc/57/84/13/599578413.db2.gz DGQLJTYNDCBLNL-AWEZNQCLSA-N -1 3 385.428 0.699 20 0 GCADHM CN(C[C@@H]1CCCO1)CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736789922 599578415 /nfs/dbraw/zinc/57/84/15/599578415.db2.gz DGQLJTYNDCBLNL-AWEZNQCLSA-N -1 3 385.428 0.699 20 0 GCADHM C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CCS1(=O)=O ZINC000736290037 599583459 /nfs/dbraw/zinc/58/34/59/599583459.db2.gz ZERNJPQTXDXSJL-VIFPVBQESA-N -1 3 384.849 0.578 20 0 GCADHM C[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CCS1(=O)=O ZINC000736290037 599583460 /nfs/dbraw/zinc/58/34/60/599583460.db2.gz ZERNJPQTXDXSJL-VIFPVBQESA-N -1 3 384.849 0.578 20 0 GCADHM C[C@@H]1CN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCS1(=O)=O ZINC000736292675 599586363 /nfs/dbraw/zinc/58/63/63/599586363.db2.gz QNYCIAPKIVOPGE-RISCZKNCSA-N -1 3 376.442 0.091 20 0 GCADHM C[C@@H]1CN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCS1(=O)=O ZINC000736292675 599586365 /nfs/dbraw/zinc/58/63/65/599586365.db2.gz QNYCIAPKIVOPGE-RISCZKNCSA-N -1 3 376.442 0.091 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCS(=O)(=O)[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000737550722 599586901 /nfs/dbraw/zinc/58/69/01/599586901.db2.gz BWCGQIQLJRCMGI-WPRPVWTQSA-N -1 3 382.446 0.522 20 0 GCADHM O=C(CN1CCNC(=O)[C@@H]1c1ccccc1)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737882906 599588088 /nfs/dbraw/zinc/58/80/88/599588088.db2.gz LVGDQLRQFGKXEU-SFHVURJKSA-N -1 3 391.435 0.656 20 0 GCADHM O=C(CN1CCNC(=O)[C@@H]1c1ccccc1)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737882906 599588091 /nfs/dbraw/zinc/58/80/91/599588091.db2.gz LVGDQLRQFGKXEU-SFHVURJKSA-N -1 3 391.435 0.656 20 0 GCADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCSC[C@H]3C)CC2)o1 ZINC000737466950 599591941 /nfs/dbraw/zinc/59/19/41/599591941.db2.gz IMJFAAXJFSZUHW-LLVKDONJSA-N -1 3 392.489 0.249 20 0 GCADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCSC[C@H]3C)CC2)o1 ZINC000737466950 599591942 /nfs/dbraw/zinc/59/19/42/599591942.db2.gz IMJFAAXJFSZUHW-LLVKDONJSA-N -1 3 392.489 0.249 20 0 GCADHM COC(=O)CN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000821662874 599592948 /nfs/dbraw/zinc/59/29/48/599592948.db2.gz XCICCGMWTLIENG-OAHLLOKOSA-N -1 3 391.428 0.260 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000736791688 599593988 /nfs/dbraw/zinc/59/39/88/599593988.db2.gz CDHBILYWEHUKCX-UHFFFAOYSA-N -1 3 395.464 0.714 20 0 GCADHM CN(CC1CC1)S(=O)(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000736791688 599593989 /nfs/dbraw/zinc/59/39/89/599593989.db2.gz CDHBILYWEHUKCX-UHFFFAOYSA-N -1 3 395.464 0.714 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nnn[n-]1)c1cccnc1Cl ZINC000738338668 599594339 /nfs/dbraw/zinc/59/43/39/599594339.db2.gz KPMHAQPUKKJENF-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=S(=O)(NCCNc1ncccc1-c1nn[n-]n1)c1cccnc1Cl ZINC000738338668 599594341 /nfs/dbraw/zinc/59/43/41/599594341.db2.gz KPMHAQPUKKJENF-UHFFFAOYSA-N -1 3 380.821 0.701 20 0 GCADHM O=C(NCCn1ccnc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823229522 599597185 /nfs/dbraw/zinc/59/71/85/599597185.db2.gz WHDLEFXYZJSCED-UHFFFAOYSA-N -1 3 394.317 0.837 20 0 GCADHM O=C(NCCn1ccnc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823229522 599597186 /nfs/dbraw/zinc/59/71/86/599597186.db2.gz WHDLEFXYZJSCED-UHFFFAOYSA-N -1 3 394.317 0.837 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)cc1 ZINC000821635268 599597771 /nfs/dbraw/zinc/59/77/71/599597771.db2.gz UGTVEXQWOGHGQW-UHFFFAOYSA-N -1 3 393.407 0.790 20 0 GCADHM CNC(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000821635268 599597773 /nfs/dbraw/zinc/59/77/73/599597773.db2.gz UGTVEXQWOGHGQW-UHFFFAOYSA-N -1 3 393.407 0.790 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737747693 599597812 /nfs/dbraw/zinc/59/78/12/599597812.db2.gz WHKFCEIQFODBGN-IUCAKERBSA-N -1 3 384.849 0.843 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737747693 599597814 /nfs/dbraw/zinc/59/78/14/599597814.db2.gz WHKFCEIQFODBGN-IUCAKERBSA-N -1 3 384.849 0.843 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000823201913 599599009 /nfs/dbraw/zinc/59/90/09/599599009.db2.gz PHYAPGNUWRXDHS-UHFFFAOYSA-N -1 3 392.383 0.305 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000823201913 599599011 /nfs/dbraw/zinc/59/90/11/599599011.db2.gz PHYAPGNUWRXDHS-UHFFFAOYSA-N -1 3 392.383 0.305 20 0 GCADHM COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)cc1 ZINC000821782786 599599184 /nfs/dbraw/zinc/59/91/84/599599184.db2.gz NUZZIXZDWKCGFM-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000821782786 599599186 /nfs/dbraw/zinc/59/91/86/599599186.db2.gz NUZZIXZDWKCGFM-HNNXBMFYSA-N -1 3 396.407 0.972 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)c1-c1nnn[n-]1 ZINC000822315014 599599951 /nfs/dbraw/zinc/59/99/51/599599951.db2.gz XYJXOZQGUCMGNO-UHFFFAOYSA-N -1 3 383.412 0.194 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)c1-c1nn[n-]n1 ZINC000822315014 599599954 /nfs/dbraw/zinc/59/99/54/599599954.db2.gz XYJXOZQGUCMGNO-UHFFFAOYSA-N -1 3 383.412 0.194 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)Cc2cccc(C(N)=O)c2)c1-c1nnn[n-]1 ZINC000822309291 599601205 /nfs/dbraw/zinc/60/12/05/599601205.db2.gz SUPWKPWKLUTTGA-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N(C)Cc2cccc(C(N)=O)c2)c1-c1nn[n-]n1 ZINC000822309291 599601207 /nfs/dbraw/zinc/60/12/07/599601207.db2.gz SUPWKPWKLUTTGA-UHFFFAOYSA-N -1 3 393.407 0.871 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H](O)COCC(C)C)c1-c1nnn[n-]1 ZINC000822319022 599601953 /nfs/dbraw/zinc/60/19/53/599601953.db2.gz GPASSYJXRWGQEM-LBPRGKRZSA-N -1 3 376.417 0.263 20 0 GCADHM Cc1cccc(NC(=O)C(=O)NC[C@H](O)COCC(C)C)c1-c1nn[n-]n1 ZINC000822319022 599601954 /nfs/dbraw/zinc/60/19/54/599601954.db2.gz GPASSYJXRWGQEM-LBPRGKRZSA-N -1 3 376.417 0.263 20 0 GCADHM CN1CC[C@H](NC(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)C1=O ZINC000736857013 599602594 /nfs/dbraw/zinc/60/25/94/599602594.db2.gz QUJBOQGGJKNHIM-LBPRGKRZSA-N -1 3 388.407 0.068 20 0 GCADHM CN1CC[C@H](NC(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)C1=O ZINC000736857013 599602595 /nfs/dbraw/zinc/60/25/95/599602595.db2.gz QUJBOQGGJKNHIM-LBPRGKRZSA-N -1 3 388.407 0.068 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)c1-c1nnn[n-]1 ZINC000822313520 599603042 /nfs/dbraw/zinc/60/30/42/599603042.db2.gz NJYGJNCVASAWFO-UHFFFAOYSA-N -1 3 379.371 0.523 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)c1-c1nn[n-]n1 ZINC000822313520 599603044 /nfs/dbraw/zinc/60/30/44/599603044.db2.gz NJYGJNCVASAWFO-UHFFFAOYSA-N -1 3 379.371 0.523 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)NCc2ccco2)c1-c1nnn[n-]1 ZINC000822312861 599603096 /nfs/dbraw/zinc/60/30/96/599603096.db2.gz JGJDVALBEKYKRK-NSHDSACASA-N -1 3 397.395 0.528 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@@H](C)C(=O)NCc2ccco2)c1-c1nn[n-]n1 ZINC000822312861 599603097 /nfs/dbraw/zinc/60/30/97/599603097.db2.gz JGJDVALBEKYKRK-NSHDSACASA-N -1 3 397.395 0.528 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821662401 599603981 /nfs/dbraw/zinc/60/39/81/599603981.db2.gz AIDNRGUAZYLCAB-UHFFFAOYSA-N -1 3 378.414 0.136 20 0 GCADHM COC(=O)CSCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821662401 599603983 /nfs/dbraw/zinc/60/39/83/599603983.db2.gz AIDNRGUAZYLCAB-UHFFFAOYSA-N -1 3 378.414 0.136 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1-c1nnn[n-]1 ZINC000822314564 599604497 /nfs/dbraw/zinc/60/44/97/599604497.db2.gz VKIGIZNXFFYEBA-LBPRGKRZSA-N -1 3 385.428 0.618 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](CCC(N)=O)C2)c1-c1nn[n-]n1 ZINC000822314564 599604499 /nfs/dbraw/zinc/60/44/99/599604499.db2.gz VKIGIZNXFFYEBA-LBPRGKRZSA-N -1 3 385.428 0.618 20 0 GCADHM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000822864526 599605094 /nfs/dbraw/zinc/60/50/94/599605094.db2.gz CLPUKIBOMTYLET-SSDOTTSWSA-N -1 3 397.317 0.158 20 0 GCADHM NC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000822864526 599605096 /nfs/dbraw/zinc/60/50/96/599605096.db2.gz CLPUKIBOMTYLET-SSDOTTSWSA-N -1 3 397.317 0.158 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)c1-c1nnn[n-]1 ZINC000822314005 599605602 /nfs/dbraw/zinc/60/56/02/599605602.db2.gz QTYMFINAKNLFIU-STQMWFEESA-N -1 3 399.455 0.877 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)c1-c1nn[n-]n1 ZINC000822314005 599605603 /nfs/dbraw/zinc/60/56/03/599605603.db2.gz QTYMFINAKNLFIU-STQMWFEESA-N -1 3 399.455 0.877 20 0 GCADHM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1=O ZINC000821622278 599606855 /nfs/dbraw/zinc/60/68/55/599606855.db2.gz YELFKTXDHCBFIF-SNVBAGLBSA-N -1 3 397.317 0.171 20 0 GCADHM CN1CC[C@@H](NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1=O ZINC000821622278 599606858 /nfs/dbraw/zinc/60/68/58/599606858.db2.gz YELFKTXDHCBFIF-SNVBAGLBSA-N -1 3 397.317 0.171 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000821756990 599610331 /nfs/dbraw/zinc/61/03/31/599610331.db2.gz SRBQRGXOZXOAQT-SNVBAGLBSA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)C[C@@H](C)O ZINC000821756990 599610333 /nfs/dbraw/zinc/61/03/33/599610333.db2.gz SRBQRGXOZXOAQT-SNVBAGLBSA-N -1 3 376.417 0.727 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)[C@@H]1CCOC1 ZINC000820315598 599610785 /nfs/dbraw/zinc/61/07/85/599610785.db2.gz ONYAPWSYJUDUPA-PSASIEDQSA-N -1 3 396.354 0.948 20 0 GCADHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)[C@@H]1CCOC1 ZINC000820315598 599610787 /nfs/dbraw/zinc/61/07/87/599610787.db2.gz ONYAPWSYJUDUPA-PSASIEDQSA-N -1 3 396.354 0.948 20 0 GCADHM O=C(NCCCOC1CCOCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823192287 599611211 /nfs/dbraw/zinc/61/12/11/599611211.db2.gz VRHAJPXOUBXKNW-UHFFFAOYSA-N -1 3 392.391 0.646 20 0 GCADHM O=C(NCCCOC1CCOCC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823192287 599611212 /nfs/dbraw/zinc/61/12/12/599611212.db2.gz VRHAJPXOUBXKNW-UHFFFAOYSA-N -1 3 392.391 0.646 20 0 GCADHM CN(C)c1ccc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821589422 599613331 /nfs/dbraw/zinc/61/33/31/599613331.db2.gz MUMKTFVGDCJUBN-UHFFFAOYSA-N -1 3 396.411 0.461 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000823211886 599613613 /nfs/dbraw/zinc/61/36/13/599613613.db2.gz TZCZBVCDQUIBOC-UHFFFAOYSA-N -1 3 396.363 0.729 20 0 GCADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC[C@@H]1Cn1cccn1 ZINC000738077590 599613663 /nfs/dbraw/zinc/61/36/63/599613663.db2.gz GNVANQUIOHHVBN-CYBMUJFWSA-N -1 3 382.432 0.744 20 0 GCADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC[C@@H]1Cn1cccn1 ZINC000738077590 599613664 /nfs/dbraw/zinc/61/36/64/599613664.db2.gz GNVANQUIOHHVBN-CYBMUJFWSA-N -1 3 382.432 0.744 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCn2ccnc2C1 ZINC000735904898 599615396 /nfs/dbraw/zinc/61/53/96/599615396.db2.gz VZZGBNJFDVOAQY-UHFFFAOYSA-N -1 3 396.411 0.831 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2ccnc2C1 ZINC000735904898 599615398 /nfs/dbraw/zinc/61/53/98/599615398.db2.gz VZZGBNJFDVOAQY-UHFFFAOYSA-N -1 3 396.411 0.831 20 0 GCADHM CC[C@H](COC)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736354202 599615622 /nfs/dbraw/zinc/61/56/22/599615622.db2.gz RZWMWCYFTHQWIR-SECBINFHSA-N -1 3 384.343 0.948 20 0 GCADHM CC[C@H](COC)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736354202 599615623 /nfs/dbraw/zinc/61/56/23/599615623.db2.gz RZWMWCYFTHQWIR-SECBINFHSA-N -1 3 384.343 0.948 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821692471 599615903 /nfs/dbraw/zinc/61/59/03/599615903.db2.gz YKDWATLBRUBNIN-ZDUSSCGKSA-N -1 3 388.428 0.625 20 0 GCADHM COCCOC[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000821692471 599615905 /nfs/dbraw/zinc/61/59/05/599615905.db2.gz YKDWATLBRUBNIN-ZDUSSCGKSA-N -1 3 388.428 0.625 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1-c1nnn[n-]1 ZINC000822312672 599616437 /nfs/dbraw/zinc/61/64/37/599616437.db2.gz HIKDQGYLIBUKNB-GFCCVEGCSA-N -1 3 381.400 0.569 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)c1-c1nn[n-]n1 ZINC000822312672 599616439 /nfs/dbraw/zinc/61/64/39/599616439.db2.gz HIKDQGYLIBUKNB-GFCCVEGCSA-N -1 3 381.400 0.569 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000823333009 599616572 /nfs/dbraw/zinc/61/65/72/599616572.db2.gz WWJQWYCMWWIZND-NSHDSACASA-N -1 3 385.363 0.400 20 0 GCADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000823333009 599616574 /nfs/dbraw/zinc/61/65/74/599616574.db2.gz WWJQWYCMWWIZND-NSHDSACASA-N -1 3 385.363 0.400 20 0 GCADHM O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000738040234 599616804 /nfs/dbraw/zinc/61/68/04/599616804.db2.gz QRVNLHMMNDEXHZ-UHFFFAOYSA-N -1 3 378.392 0.451 20 0 GCADHM O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000738040234 599616806 /nfs/dbraw/zinc/61/68/06/599616806.db2.gz QRVNLHMMNDEXHZ-UHFFFAOYSA-N -1 3 378.392 0.451 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737739359 599617186 /nfs/dbraw/zinc/61/71/86/599617186.db2.gz NXVSEGWDHCNOGU-RKDXNWHRSA-N -1 3 375.364 0.105 20 0 GCADHM NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737739359 599617187 /nfs/dbraw/zinc/61/71/87/599617187.db2.gz NXVSEGWDHCNOGU-RKDXNWHRSA-N -1 3 375.364 0.105 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820313346 599618306 /nfs/dbraw/zinc/61/83/06/599618306.db2.gz CZJHMKUTYAXPEB-VIFPVBQESA-N -1 3 397.370 0.921 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820313346 599618308 /nfs/dbraw/zinc/61/83/08/599618308.db2.gz CZJHMKUTYAXPEB-VIFPVBQESA-N -1 3 397.370 0.921 20 0 GCADHM COCCn1cc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821695145 599619284 /nfs/dbraw/zinc/61/92/84/599619284.db2.gz LGIUUZFXTGUASH-LLVKDONJSA-N -1 3 384.400 0.526 20 0 GCADHM COCCn1cc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821695145 599619285 /nfs/dbraw/zinc/61/92/85/599619285.db2.gz LGIUUZFXTGUASH-LLVKDONJSA-N -1 3 384.400 0.526 20 0 GCADHM CCn1cc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000821565235 599619368 /nfs/dbraw/zinc/61/93/68/599619368.db2.gz KEVPCUMPFAXSGT-LLVKDONJSA-N -1 3 381.396 0.864 20 0 GCADHM CCn1cc(NC(=O)C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000821565235 599619369 /nfs/dbraw/zinc/61/93/69/599619369.db2.gz KEVPCUMPFAXSGT-LLVKDONJSA-N -1 3 381.396 0.864 20 0 GCADHM COCCCOc1cccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000821688502 599622439 /nfs/dbraw/zinc/62/24/39/599622439.db2.gz NJKOJYIOSFNYSU-UHFFFAOYSA-N -1 3 387.400 0.918 20 0 GCADHM COCCCOc1cccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000821688502 599622440 /nfs/dbraw/zinc/62/24/40/599622440.db2.gz NJKOJYIOSFNYSU-UHFFFAOYSA-N -1 3 387.400 0.918 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccccc1Cn1cncn1 ZINC000822903674 599622622 /nfs/dbraw/zinc/62/26/22/599622622.db2.gz NQWLXLKLSHUHSL-UHFFFAOYSA-N -1 3 380.372 0.142 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccccc1Cn1cncn1 ZINC000822903674 599622623 /nfs/dbraw/zinc/62/26/23/599622623.db2.gz NQWLXLKLSHUHSL-UHFFFAOYSA-N -1 3 380.372 0.142 20 0 GCADHM O=C(COc1cccc(-c2nnn[n-]2)c1)OCCN1C(=O)c2ccncc2C1=O ZINC000823043975 599625973 /nfs/dbraw/zinc/62/59/73/599625973.db2.gz NVTYIDKBTLJCRE-UHFFFAOYSA-N -1 3 394.347 0.480 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)OCCN1C(=O)c2ccncc2C1=O ZINC000823043975 599625974 /nfs/dbraw/zinc/62/59/74/599625974.db2.gz NVTYIDKBTLJCRE-UHFFFAOYSA-N -1 3 394.347 0.480 20 0 GCADHM COCCS(=O)(=O)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821694415 599633691 /nfs/dbraw/zinc/63/36/91/599633691.db2.gz MEAZOHCVEJBBAH-UHFFFAOYSA-N -1 3 393.347 0.885 20 0 GCADHM COCCS(=O)(=O)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821694415 599633692 /nfs/dbraw/zinc/63/36/92/599633692.db2.gz MEAZOHCVEJBBAH-UHFFFAOYSA-N -1 3 393.347 0.885 20 0 GCADHM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1=O ZINC000821619087 599634703 /nfs/dbraw/zinc/63/47/03/599634703.db2.gz IYUAPZJRORAGTI-UHFFFAOYSA-N -1 3 397.273 0.245 20 0 GCADHM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1=O ZINC000821619087 599634704 /nfs/dbraw/zinc/63/47/04/599634704.db2.gz IYUAPZJRORAGTI-UHFFFAOYSA-N -1 3 397.273 0.245 20 0 GCADHM Cn1ccnc(N2CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)c1=O ZINC000822693807 599647558 /nfs/dbraw/zinc/64/75/58/599647558.db2.gz KMKFFECNXQQJFO-UHFFFAOYSA-N -1 3 381.400 0.315 20 0 GCADHM Cn1ccnc(N2CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000822693807 599647559 /nfs/dbraw/zinc/64/75/59/599647559.db2.gz KMKFFECNXQQJFO-UHFFFAOYSA-N -1 3 381.400 0.315 20 0 GCADHM CN1N=C(C(=O)OCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCC1=O ZINC000821630152 599651373 /nfs/dbraw/zinc/65/13/73/599651373.db2.gz NTQCWASQLQRBMF-UHFFFAOYSA-N -1 3 382.340 0.568 20 0 GCADHM CN1N=C(C(=O)OCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCC1=O ZINC000821630152 599651374 /nfs/dbraw/zinc/65/13/74/599651374.db2.gz NTQCWASQLQRBMF-UHFFFAOYSA-N -1 3 382.340 0.568 20 0 GCADHM O=C(Cn1ccccc1=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000823123149 599651483 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/nfs/dbraw/zinc/50/31/82/607503182.db2.gz BENBMPQSMCLJAK-GFCCVEGCSA-N -1 3 398.345 0.915 20 0 GCADHM O=C(COc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000823043582 607503183 /nfs/dbraw/zinc/50/31/83/607503183.db2.gz BENBMPQSMCLJAK-GFCCVEGCSA-N -1 3 398.345 0.915 20 0 GCADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCN1CCCS1(=O)=O ZINC000820533392 607503711 /nfs/dbraw/zinc/50/37/11/607503711.db2.gz DVWHQBLEUWRARV-NSHDSACASA-N -1 3 381.414 0.213 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000820833025 607499915 /nfs/dbraw/zinc/49/99/15/607499915.db2.gz QIEOIEXCYPJNPA-AWEZNQCLSA-N -1 3 384.444 0.169 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000820833025 607499916 /nfs/dbraw/zinc/49/99/16/607499916.db2.gz QIEOIEXCYPJNPA-AWEZNQCLSA-N -1 3 384.444 0.169 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000820833616 607499963 /nfs/dbraw/zinc/49/99/63/607499963.db2.gz ZUCWBIAJCGSUBS-AWEZNQCLSA-N -1 3 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ZINC000829765056 601342040 /nfs/dbraw/zinc/34/20/40/601342040.db2.gz HLRLWTIKGLBWLJ-BBRMVZONSA-N -1 3 375.425 0.808 20 0 GCADHM COC(=O)C1CCN(C(=O)CONC(=N)COc2cccc(C(=O)[O-])c2)CC1 ZINC000831115383 601352232 /nfs/dbraw/zinc/35/22/32/601352232.db2.gz ZLXTULATODCJLG-UHFFFAOYSA-N -1 3 393.396 0.674 20 0 GCADHM CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(=O)[O-])cc2)CCO1 ZINC000830601292 601358989 /nfs/dbraw/zinc/35/89/89/601358989.db2.gz VNJRMNSKTIJIEF-OAHLLOKOSA-N -1 3 379.413 0.268 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820832990 607505545 /nfs/dbraw/zinc/50/55/45/607505545.db2.gz PITFRAVIARILJC-YPMHNXCESA-N -1 3 386.412 0.995 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820832990 607505547 /nfs/dbraw/zinc/50/55/47/607505547.db2.gz PITFRAVIARILJC-YPMHNXCESA-N -1 3 386.412 0.995 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)O[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820833287 607505674 /nfs/dbraw/zinc/50/56/74/607505674.db2.gz VOYYQLNGGSVFDF-ZFWWWQNUSA-N -1 3 387.396 0.883 20 0 GCADHM CCC(=O)N1CC[C@H](C(=O)O[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820833287 607505675 /nfs/dbraw/zinc/50/56/75/607505675.db2.gz VOYYQLNGGSVFDF-ZFWWWQNUSA-N -1 3 387.396 0.883 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820832284 607505695 /nfs/dbraw/zinc/50/56/95/607505695.db2.gz IZUAJLOYUXJVHQ-CQSZACIVSA-N -1 3 386.412 0.285 20 0 GCADHM CCC(=O)N1CC[C@@H](C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820832284 607505696 /nfs/dbraw/zinc/50/56/96/607505696.db2.gz IZUAJLOYUXJVHQ-CQSZACIVSA-N -1 3 386.412 0.285 20 0 GCADHM CCNC(=O)C(C)(C)CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825465276 607511459 /nfs/dbraw/zinc/51/14/59/607511459.db2.gz JWPHVCHPTALJMG-UHFFFAOYSA-N -1 3 397.443 0.527 20 0 GCADHM CCNC(=O)C(C)(C)CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825465276 607511462 /nfs/dbraw/zinc/51/14/62/607511462.db2.gz JWPHVCHPTALJMG-UHFFFAOYSA-N -1 3 397.443 0.527 20 0 GCADHM CNC(=O)C(C)(C)CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826051242 607511579 /nfs/dbraw/zinc/51/15/79/607511579.db2.gz JGMIZGNXXKNZAT-UHFFFAOYSA-N -1 3 387.444 0.864 20 0 GCADHM CNC(=O)C(C)(C)CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826051242 607511581 /nfs/dbraw/zinc/51/15/81/607511581.db2.gz JGMIZGNXXKNZAT-UHFFFAOYSA-N -1 3 387.444 0.864 20 0 GCADHM CN(C)Cc1ccc(N2CCN(S(=O)(=O)CC3(CC(=O)[O-])CC3)CC2)nc1 ZINC000830619692 601515821 /nfs/dbraw/zinc/51/58/21/601515821.db2.gz IMKIQAKVCSOGGB-UHFFFAOYSA-N -1 3 396.513 0.850 20 0 GCADHM C[C@@H]1CN(CC(=O)NCc2ccccc2CN2CCOCC2)C[C@H]1C(=O)[O-] ZINC000828441381 601528009 /nfs/dbraw/zinc/52/80/09/601528009.db2.gz PYVMMANHRGGLMV-CRAIPNDOSA-N -1 3 375.469 0.788 20 0 GCADHM C[C@@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C[C@H]1C(=O)[O-] ZINC000828438156 601530039 /nfs/dbraw/zinc/53/00/39/601530039.db2.gz DBRQNWQFTUWOGE-RHSMWYFYSA-N -1 3 389.452 0.428 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000826183525 607513734 /nfs/dbraw/zinc/51/37/34/607513734.db2.gz RQSVMHKVVURFCY-HNNXBMFYSA-N -1 3 392.485 0.180 20 0 GCADHM CCn1nccc1NC(=O)C(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825806771 607514906 /nfs/dbraw/zinc/51/49/06/607514906.db2.gz DAYSUIDAKBNFFF-UHFFFAOYSA-N -1 3 398.427 0.697 20 0 GCADHM CCn1nccc1NC(=O)C(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825806771 607514908 /nfs/dbraw/zinc/51/49/08/607514908.db2.gz DAYSUIDAKBNFFF-UHFFFAOYSA-N -1 3 398.427 0.697 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)C(=O)NC ZINC000825621639 607515029 /nfs/dbraw/zinc/51/50/29/607515029.db2.gz WHMCUUQTWABKTQ-UHFFFAOYSA-N -1 3 389.416 0.092 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)C(=O)NC ZINC000825621639 607515031 /nfs/dbraw/zinc/51/50/31/607515031.db2.gz WHMCUUQTWABKTQ-UHFFFAOYSA-N -1 3 389.416 0.092 20 0 GCADHM CCNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000825465642 607515104 /nfs/dbraw/zinc/51/51/04/607515104.db2.gz PCMKSUYDIMHIFR-UHFFFAOYSA-N -1 3 377.380 0.223 20 0 GCADHM CCNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000825465642 607515106 /nfs/dbraw/zinc/51/51/06/607515106.db2.gz PCMKSUYDIMHIFR-UHFFFAOYSA-N -1 3 377.380 0.223 20 0 GCADHM Cc1c(C(=O)N2CCOC[C@H]2C(=O)[O-])nnn1-c1cccc2c1CCN(C)C2 ZINC000832850496 601606074 /nfs/dbraw/zinc/60/60/74/601606074.db2.gz SHULQDUBFUDXGZ-INIZCTEOSA-N -1 3 385.424 0.489 20 0 GCADHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccccc1 ZINC000826044676 601651001 /nfs/dbraw/zinc/65/10/01/601651001.db2.gz KFFHDKSHWLLFPT-HNAYVOBHSA-N -1 3 390.484 0.270 20 0 GCADHM O=C([O-])[C@]1(NC(=O)CN2CCCS2(=O)=O)CCCN(Cc2ccccc2)C1 ZINC000833107353 601729675 /nfs/dbraw/zinc/72/96/75/601729675.db2.gz ODRBQOQWSSQEEV-SFHVURJKSA-N -1 3 395.481 0.258 20 0 GCADHM COC(=O)[C@H](O)C1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000826116603 607526154 /nfs/dbraw/zinc/52/61/54/607526154.db2.gz BEQGNPWUWHVZOA-OAHLLOKOSA-N -1 3 399.411 0.663 20 0 GCADHM COC(=O)[C@H](O)C1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000826116603 607526155 /nfs/dbraw/zinc/52/61/55/607526155.db2.gz BEQGNPWUWHVZOA-OAHLLOKOSA-N -1 3 399.411 0.663 20 0 GCADHM CCN1CCO[C@H](C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)C1 ZINC000829781207 601776718 /nfs/dbraw/zinc/77/67/18/601776718.db2.gz RCGFIAMHSKIKJS-FXAWDEMLSA-N -1 3 375.469 0.943 20 0 GCADHM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000827767562 601777831 /nfs/dbraw/zinc/77/78/31/601777831.db2.gz CXDARMQXSRMRAH-DYVFJYSZSA-N -1 3 383.470 0.160 20 0 GCADHM O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)NCCN2CCCCC2)cc1 ZINC000833263747 601850705 /nfs/dbraw/zinc/85/07/05/601850705.db2.gz RKIXUDSOKWNSEG-UHFFFAOYSA-N -1 3 397.497 0.971 20 0 GCADHM COCc1nc2n(n1)C[C@H](N[C@@H]1CCN(c3sccc3C(=O)[O-])C1=O)CC2 ZINC000831831235 601852159 /nfs/dbraw/zinc/85/21/59/601852159.db2.gz GZVGUSNZNBWPOW-ZYHUDNBSSA-N -1 3 391.453 0.894 20 0 GCADHM COc1ccc(CNC(=S)NCCN2CCOCC2)cc1-c1nnn[n-]1 ZINC000826201674 607529806 /nfs/dbraw/zinc/52/98/06/607529806.db2.gz AWLJKNPKJWQPKJ-UHFFFAOYSA-N -1 3 377.474 0.172 20 0 GCADHM COc1ccc(CNC(=S)NCCN2CCOCC2)cc1-c1nn[n-]n1 ZINC000826201674 607529808 /nfs/dbraw/zinc/52/98/08/607529808.db2.gz AWLJKNPKJWQPKJ-UHFFFAOYSA-N -1 3 377.474 0.172 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)CN1CCN(C)CC1 ZINC000827461007 601858493 /nfs/dbraw/zinc/85/84/93/601858493.db2.gz JRSAOEBBDSBQBT-GFCCVEGCSA-N -1 3 380.420 0.462 20 0 GCADHM O=S(=O)(CCN1CCCC2(C1)OCCO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826484735 607530303 /nfs/dbraw/zinc/53/03/03/607530303.db2.gz NPBRIWIQERMMRC-UHFFFAOYSA-N -1 3 379.442 0.479 20 0 GCADHM O=S(=O)(CCN1CCCC2(C1)OCCO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826484735 607530305 /nfs/dbraw/zinc/53/03/05/607530305.db2.gz NPBRIWIQERMMRC-UHFFFAOYSA-N -1 3 379.442 0.479 20 0 GCADHM C[C@]1(C(=O)[O-])CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000828023871 601939663 /nfs/dbraw/zinc/93/96/63/601939663.db2.gz DPPIMDVYFDJONC-FQEVSTJZSA-N -1 3 389.452 0.572 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)c1-c1nnn[n-]1 ZINC000826301953 607549649 /nfs/dbraw/zinc/54/96/49/607549649.db2.gz VWZYOPAOPUSREI-CQSZACIVSA-N -1 3 392.485 0.518 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(C[C@H]3CCOC3)CC2)c1-c1nn[n-]n1 ZINC000826301953 607549651 /nfs/dbraw/zinc/54/96/51/607549651.db2.gz VWZYOPAOPUSREI-CQSZACIVSA-N -1 3 392.485 0.518 20 0 GCADHM CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000830604132 602125176 /nfs/dbraw/zinc/12/51/76/602125176.db2.gz HIKRIKUVNNJREB-MRXNPFEDSA-N -1 3 377.441 0.821 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)c1-c1nnn[n-]1 ZINC000826301906 607550904 /nfs/dbraw/zinc/55/09/04/607550904.db2.gz UDPJAMPUHNYPMS-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC(S(C)(=O)=O)CC2)c1-c1nn[n-]n1 ZINC000826301906 607550906 /nfs/dbraw/zinc/55/09/06/607550906.db2.gz UDPJAMPUHNYPMS-UHFFFAOYSA-N -1 3 385.471 0.373 20 0 GCADHM CCOCCO[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000825605656 607551244 /nfs/dbraw/zinc/55/12/44/607551244.db2.gz ZSAICOKIYKHRGR-LBPRGKRZSA-N -1 3 385.421 0.822 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(c3cccnn3)CC2)c1-c1nnn[n-]1 ZINC000826301478 607546955 /nfs/dbraw/zinc/54/69/55/607546955.db2.gz GBUOQAPAIISYDK-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN(c3cccnn3)CC2)c1-c1nn[n-]n1 ZINC000826301478 607546956 /nfs/dbraw/zinc/54/69/56/607546956.db2.gz GBUOQAPAIISYDK-UHFFFAOYSA-N -1 3 386.441 0.476 20 0 GCADHM CCOC(=O)[C@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)CCO1 ZINC000825499905 607548171 /nfs/dbraw/zinc/54/81/71/607548171.db2.gz XNYKSCHBKKJDCT-LLVKDONJSA-N -1 3 381.414 0.128 20 0 GCADHM CCOC(=O)[C@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CCO1 ZINC000825499905 607548172 /nfs/dbraw/zinc/54/81/72/607548172.db2.gz XNYKSCHBKKJDCT-LLVKDONJSA-N -1 3 381.414 0.128 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)c1-c1nnn[n-]1 ZINC000826301477 607548746 /nfs/dbraw/zinc/54/87/46/607548746.db2.gz GBRAHGQMLVZQLO-ZDUSSCGKSA-N -1 3 389.441 0.671 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCO[C@H](c3cnn(C)c3)C2)c1-c1nn[n-]n1 ZINC000826301477 607548747 /nfs/dbraw/zinc/54/87/47/607548747.db2.gz GBRAHGQMLVZQLO-ZDUSSCGKSA-N -1 3 389.441 0.671 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC000830935406 602221741 /nfs/dbraw/zinc/22/17/41/602221741.db2.gz YLQJZLUEWQHUTP-LLVKDONJSA-N -1 3 387.483 0.373 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000830934546 602221870 /nfs/dbraw/zinc/22/18/70/602221870.db2.gz HHTQOYHFCGZPEF-NSHDSACASA-N -1 3 387.483 0.373 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000830934755 602221882 /nfs/dbraw/zinc/22/18/82/602221882.db2.gz JOFRRCCZRNCYEY-MRXNPFEDSA-N -1 3 395.481 0.453 20 0 GCADHM CCN(C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CCO1)c1cccnn1 ZINC000825418293 607553415 /nfs/dbraw/zinc/55/34/15/607553415.db2.gz ZKHPCEMXMXJREK-AWEZNQCLSA-N -1 3 397.443 0.363 20 0 GCADHM CCN(C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CCO1)c1cccnn1 ZINC000825418293 607553417 /nfs/dbraw/zinc/55/34/17/607553417.db2.gz ZKHPCEMXMXJREK-AWEZNQCLSA-N -1 3 397.443 0.363 20 0 GCADHM COc1ccc(CNS(=O)(=O)c2cn(C)c(Cl)n2)cc1-c1nnn[n-]1 ZINC000826203360 607554704 /nfs/dbraw/zinc/55/47/04/607554704.db2.gz KSTIUISNSSAWJL-UHFFFAOYSA-N -1 3 383.821 0.741 20 0 GCADHM COc1ccc(CNS(=O)(=O)c2cn(C)c(Cl)n2)cc1-c1nn[n-]n1 ZINC000826203360 607554706 /nfs/dbraw/zinc/55/47/06/607554706.db2.gz KSTIUISNSSAWJL-UHFFFAOYSA-N -1 3 383.821 0.741 20 0 GCADHM COC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826149692 607554892 /nfs/dbraw/zinc/55/48/92/607554892.db2.gz MXIQWROIUFBOKI-QMTHXVAHSA-N -1 3 394.457 0.075 20 0 GCADHM COC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826149692 607554894 /nfs/dbraw/zinc/55/48/94/607554894.db2.gz MXIQWROIUFBOKI-QMTHXVAHSA-N -1 3 394.457 0.075 20 0 GCADHM COC[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C1CC1 ZINC000826149434 607558411 /nfs/dbraw/zinc/55/84/11/607558411.db2.gz HLTRDKWUBQPHKC-NSHDSACASA-N -1 3 396.354 0.948 20 0 GCADHM COC[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C1CC1 ZINC000826149434 607558412 /nfs/dbraw/zinc/55/84/12/607558412.db2.gz HLTRDKWUBQPHKC-NSHDSACASA-N -1 3 396.354 0.948 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)CC2 ZINC000826501397 607565370 /nfs/dbraw/zinc/56/53/70/607565370.db2.gz OIJBDJCWHMPHDM-UHFFFAOYSA-N -1 3 393.816 0.763 20 0 GCADHM O=c1[nH]cnc2c1CN(S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)CC2 ZINC000826501397 607565371 /nfs/dbraw/zinc/56/53/71/607565371.db2.gz OIJBDJCWHMPHDM-UHFFFAOYSA-N -1 3 393.816 0.763 20 0 GCADHM COc1ccc(CNC(=O)NCCCNC(=O)C2CCC2)cc1-c1nnn[n-]1 ZINC000826199500 607567410 /nfs/dbraw/zinc/56/74/10/607567410.db2.gz ARTDTSJYWRZEIA-UHFFFAOYSA-N -1 3 387.444 0.981 20 0 GCADHM COc1ccc(CNC(=O)NCCCNC(=O)C2CCC2)cc1-c1nn[n-]n1 ZINC000826199500 607567411 /nfs/dbraw/zinc/56/74/11/607567411.db2.gz ARTDTSJYWRZEIA-UHFFFAOYSA-N -1 3 387.444 0.981 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC000825470299 607569388 /nfs/dbraw/zinc/56/93/88/607569388.db2.gz AXQBXMFVTJJYHK-GFCCVEGCSA-N -1 3 388.432 0.478 20 0 GCADHM CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC000825470299 607569391 /nfs/dbraw/zinc/56/93/91/607569391.db2.gz AXQBXMFVTJJYHK-GFCCVEGCSA-N -1 3 388.432 0.478 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCc2nnc(C)n2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826116575 607565904 /nfs/dbraw/zinc/56/59/04/607565904.db2.gz AUXOKYJULHXRBC-HIFRSBDPSA-N -1 3 397.395 0.787 20 0 GCADHM COC(=O)[C@@H](OC(=O)[C@@H]1CCc2nnc(C)n2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116575 607565905 /nfs/dbraw/zinc/56/59/05/607565905.db2.gz AUXOKYJULHXRBC-HIFRSBDPSA-N -1 3 397.395 0.787 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)CC2 ZINC000826337529 607565987 /nfs/dbraw/zinc/56/59/87/607565987.db2.gz RQVYYJAURBUSDX-JQWIXIFHSA-N -1 3 396.411 0.899 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000826337529 607565988 /nfs/dbraw/zinc/56/59/88/607565988.db2.gz RQVYYJAURBUSDX-JQWIXIFHSA-N -1 3 396.411 0.899 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1)CC2 ZINC000826337530 607566119 /nfs/dbraw/zinc/56/61/19/607566119.db2.gz RQVYYJAURBUSDX-PWSUYJOCSA-N -1 3 396.411 0.899 20 0 GCADHM Cc1nnc2n1C[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1)CC2 ZINC000826337530 607566121 /nfs/dbraw/zinc/56/61/21/607566121.db2.gz RQVYYJAURBUSDX-PWSUYJOCSA-N -1 3 396.411 0.899 20 0 GCADHM O=C([C@@H]1CCn2cncc2C1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826398977 607571276 /nfs/dbraw/zinc/57/12/76/607571276.db2.gz JOWIBBYBTHBAAR-CYBMUJFWSA-N -1 3 379.428 0.369 20 0 GCADHM O=C([C@@H]1CCn2cncc2C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826398977 607571278 /nfs/dbraw/zinc/57/12/78/607571278.db2.gz JOWIBBYBTHBAAR-CYBMUJFWSA-N -1 3 379.428 0.369 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)o1 ZINC000826392645 607576812 /nfs/dbraw/zinc/57/68/12/607576812.db2.gz HHRAPCVIFJHMOJ-UHFFFAOYSA-N -1 3 381.396 0.517 20 0 GCADHM NC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)o1 ZINC000826392645 607576813 /nfs/dbraw/zinc/57/68/13/607576813.db2.gz HHRAPCVIFJHMOJ-UHFFFAOYSA-N -1 3 381.396 0.517 20 0 GCADHM COCC(=O)N[C@H](C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1)C(C)C ZINC000826148001 607580702 /nfs/dbraw/zinc/58/07/02/607580702.db2.gz UVMBLMKWMDXXLR-HNNXBMFYSA-N -1 3 376.417 0.279 20 0 GCADHM COCC(=O)N[C@H](C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1)C(C)C ZINC000826148001 607580703 /nfs/dbraw/zinc/58/07/03/607580703.db2.gz UVMBLMKWMDXXLR-HNNXBMFYSA-N -1 3 376.417 0.279 20 0 GCADHM O=S(=O)(NCCCOC[C@@H]1CCCO1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490909 607580859 /nfs/dbraw/zinc/58/08/59/607580859.db2.gz MIINFFNXZWFQRZ-LBPRGKRZSA-N -1 3 385.421 0.870 20 0 GCADHM Cc1c(C(=O)N2CCN(C(=O)[O-])CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000738169732 602696146 /nfs/dbraw/zinc/69/61/46/602696146.db2.gz SFLVUCQDFQSUGS-UHFFFAOYSA-N -1 3 384.440 0.999 20 0 GCADHM NC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826388735 607582076 /nfs/dbraw/zinc/58/20/76/607582076.db2.gz ICFZLJPFSCODHA-CYBMUJFWSA-N -1 3 376.373 0.511 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCNC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826303605 607582284 /nfs/dbraw/zinc/58/22/84/607582284.db2.gz WSPMHIRFFRRWCB-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCNC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826303605 607582287 /nfs/dbraw/zinc/58/22/87/607582287.db2.gz WSPMHIRFFRRWCB-UHFFFAOYSA-N -1 3 386.437 0.883 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCNC(=O)c2ccco2)c1-c1nnn[n-]1 ZINC000826303162 607582310 /nfs/dbraw/zinc/58/23/10/607582310.db2.gz CFJOYYVVWKCPLY-UHFFFAOYSA-N -1 3 376.398 0.476 20 0 GCADHM Cc1cccc(S(=O)(=O)NCCNC(=O)c2ccco2)c1-c1nn[n-]n1 ZINC000826303162 607582311 /nfs/dbraw/zinc/58/23/11/607582311.db2.gz CFJOYYVVWKCPLY-UHFFFAOYSA-N -1 3 376.398 0.476 20 0 GCADHM CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824289240 607811402 /nfs/dbraw/zinc/81/14/02/607811402.db2.gz YJACNLXVRGEUTM-UHFFFAOYSA-N -1 3 391.450 0.450 20 0 GCADHM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826497222 607584600 /nfs/dbraw/zinc/58/46/00/607584600.db2.gz YVAQMPRWDGCVLM-MRVPVSSYSA-N -1 3 391.862 0.233 20 0 GCADHM O=S(=O)(NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826497222 607584601 /nfs/dbraw/zinc/58/46/01/607584601.db2.gz YVAQMPRWDGCVLM-MRVPVSSYSA-N -1 3 391.862 0.233 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1-c1nnn[n-]1 ZINC000826303278 607585633 /nfs/dbraw/zinc/58/56/33/607585633.db2.gz HYRMDMMTAQJDGO-CQSZACIVSA-N -1 3 394.501 0.810 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1-c1nn[n-]n1 ZINC000826303278 607585634 /nfs/dbraw/zinc/58/56/34/607585634.db2.gz HYRMDMMTAQJDGO-CQSZACIVSA-N -1 3 394.501 0.810 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1-c1nnn[n-]1 ZINC000826196947 607586167 /nfs/dbraw/zinc/58/61/67/607586167.db2.gz TVMUJALTWCLITH-GOSISDBHSA-N -1 3 399.411 0.212 20 0 GCADHM COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1-c1nn[n-]n1 ZINC000826196947 607586168 /nfs/dbraw/zinc/58/61/68/607586168.db2.gz TVMUJALTWCLITH-GOSISDBHSA-N -1 3 399.411 0.212 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccccc2)c1-c1nnn[n-]1 ZINC000826302903 607587693 /nfs/dbraw/zinc/58/76/93/607587693.db2.gz VTHBGZLHSUJEQU-UHFFFAOYSA-N -1 3 386.437 0.770 20 0 GCADHM Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccccc2)c1-c1nn[n-]n1 ZINC000826302903 607587694 /nfs/dbraw/zinc/58/76/94/607587694.db2.gz VTHBGZLHSUJEQU-UHFFFAOYSA-N -1 3 386.437 0.770 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCOc1ncccc1F ZINC000826412007 607587802 /nfs/dbraw/zinc/58/78/02/607587802.db2.gz XXZSPLHYLVSYTE-UHFFFAOYSA-N -1 3 385.359 0.326 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCOc1ncccc1F ZINC000826412007 607587803 /nfs/dbraw/zinc/58/78/03/607587803.db2.gz XXZSPLHYLVSYTE-UHFFFAOYSA-N -1 3 385.359 0.326 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825034789 607591802 /nfs/dbraw/zinc/59/18/02/607591802.db2.gz PWNXTZVZLVSDIA-LBPRGKRZSA-N -1 3 376.442 0.803 20 0 GCADHM CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825034789 607591803 /nfs/dbraw/zinc/59/18/03/607591803.db2.gz PWNXTZVZLVSDIA-LBPRGKRZSA-N -1 3 376.442 0.803 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1-c1nnn[n-]1 ZINC000826197017 607591991 /nfs/dbraw/zinc/59/19/91/607591991.db2.gz WRHLDOJGHGHIOG-PXAZEXFGSA-N -1 3 388.453 0.946 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1-c1nn[n-]n1 ZINC000826197017 607591992 /nfs/dbraw/zinc/59/19/92/607591992.db2.gz WRHLDOJGHGHIOG-PXAZEXFGSA-N -1 3 388.453 0.946 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)NCc1ccccc1 ZINC000824641345 607595654 /nfs/dbraw/zinc/59/56/54/607595654.db2.gz UQLWMRPZZYLMBL-LBPRGKRZSA-N -1 3 386.437 0.850 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)NCc1ccccc1 ZINC000824641345 607595656 /nfs/dbraw/zinc/59/56/56/607595656.db2.gz UQLWMRPZZYLMBL-LBPRGKRZSA-N -1 3 386.437 0.850 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](N3CCNC3=O)C2)c1-c1nnn[n-]1 ZINC000826301969 607598033 /nfs/dbraw/zinc/59/80/33/607598033.db2.gz WKQPRIOMEZLBBA-LBPRGKRZSA-N -1 3 391.457 0.353 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](N3CCNC3=O)C2)c1-c1nn[n-]n1 ZINC000826301969 607598035 /nfs/dbraw/zinc/59/80/35/607598035.db2.gz WKQPRIOMEZLBBA-LBPRGKRZSA-N -1 3 391.457 0.353 20 0 GCADHM COc1ccc(COC(=O)CCN2C(=O)NC(C)(C)C2=O)cc1-c1nnn[n-]1 ZINC000826205074 607598503 /nfs/dbraw/zinc/59/85/03/607598503.db2.gz JFAAICSSXKTNNE-UHFFFAOYSA-N -1 3 388.384 0.639 20 0 GCADHM COc1ccc(COC(=O)CCN2C(=O)NC(C)(C)C2=O)cc1-c1nn[n-]n1 ZINC000826205074 607598504 /nfs/dbraw/zinc/59/85/04/607598504.db2.gz JFAAICSSXKTNNE-UHFFFAOYSA-N -1 3 388.384 0.639 20 0 GCADHM CCOC(=O)CN1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000825518264 607598892 /nfs/dbraw/zinc/59/88/92/607598892.db2.gz WLDLLQQUDUBWDY-UHFFFAOYSA-N -1 3 394.457 0.126 20 0 GCADHM CCOC(=O)CN1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000825518264 607598893 /nfs/dbraw/zinc/59/88/93/607598893.db2.gz WLDLLQQUDUBWDY-UHFFFAOYSA-N -1 3 394.457 0.126 20 0 GCADHM NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826389070 607599477 /nfs/dbraw/zinc/59/94/77/607599477.db2.gz PHLBRODQUGJJMI-CYBMUJFWSA-N -1 3 390.400 0.381 20 0 GCADHM Cc1cccc(S(=O)(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1-c1nnn[n-]1 ZINC000826303406 607602175 /nfs/dbraw/zinc/60/21/75/607602175.db2.gz NOUJKUILQDVYOY-OLZOCXBDSA-N -1 3 378.458 0.317 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1F ZINC000826394195 607604537 /nfs/dbraw/zinc/60/45/37/607604537.db2.gz ATDDIDQPUPDGQR-UHFFFAOYSA-N -1 3 396.335 0.544 20 0 GCADHM COc1ccc(COC(=O)CNC(=O)Cc2ccc(O)cc2)cc1-c1nnn[n-]1 ZINC000826205053 607605014 /nfs/dbraw/zinc/60/50/14/607605014.db2.gz IPJSXUOLPAVDML-UHFFFAOYSA-N -1 3 397.391 0.983 20 0 GCADHM COc1ccc(COC(=O)CNC(=O)Cc2ccc(O)cc2)cc1-c1nn[n-]n1 ZINC000826205053 607605015 /nfs/dbraw/zinc/60/50/15/607605015.db2.gz IPJSXUOLPAVDML-UHFFFAOYSA-N -1 3 397.391 0.983 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N(C)C)c1-c1nnn[n-]1 ZINC000826301720 607605248 /nfs/dbraw/zinc/60/52/48/607605248.db2.gz NXHDFMUUOMVJDX-SNVBAGLBSA-N -1 3 382.471 0.327 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CSC[C@@H]2C(=O)N(C)C)c1-c1nn[n-]n1 ZINC000826301720 607605250 /nfs/dbraw/zinc/60/52/50/607605250.db2.gz NXHDFMUUOMVJDX-SNVBAGLBSA-N -1 3 382.471 0.327 20 0 GCADHM CC(C)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000824176878 607605682 /nfs/dbraw/zinc/60/56/82/607605682.db2.gz BUIFMAAYONYRKQ-UHFFFAOYSA-N -1 3 396.448 0.885 20 0 GCADHM COc1ccc(COC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nnn[n-]1 ZINC000826204579 607610885 /nfs/dbraw/zinc/61/08/85/607610885.db2.gz QMOGOVKYHZDJAJ-OTYXRUKQSA-N -1 3 375.385 0.194 20 0 GCADHM COc1ccc(COC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cc1-c1nn[n-]n1 ZINC000826204579 607610887 /nfs/dbraw/zinc/61/08/87/607610887.db2.gz QMOGOVKYHZDJAJ-OTYXRUKQSA-N -1 3 375.385 0.194 20 0 GCADHM COc1ccc(COC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nnn[n-]1 ZINC000826204580 607611137 /nfs/dbraw/zinc/61/11/37/607611137.db2.gz QMOGOVKYHZDJAJ-XPTSAGLGSA-N -1 3 375.385 0.194 20 0 GCADHM COc1ccc(COC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)cc1-c1nn[n-]n1 ZINC000826204580 607611139 /nfs/dbraw/zinc/61/11/39/607611139.db2.gz QMOGOVKYHZDJAJ-XPTSAGLGSA-N -1 3 375.385 0.194 20 0 GCADHM COc1ccc(CNC(=O)c2ccccc2-n2cnnn2)cc1-c1nnn[n-]1 ZINC000826201454 607612375 /nfs/dbraw/zinc/61/23/75/607612375.db2.gz PYHUQLIJSQWPRA-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM COc1ccc(CNC(=O)c2ccccc2-n2cnnn2)cc1-c1nn[n-]n1 ZINC000826201454 607612376 /nfs/dbraw/zinc/61/23/76/607612376.db2.gz PYHUQLIJSQWPRA-UHFFFAOYSA-N -1 3 377.368 0.781 20 0 GCADHM CC[S@@](=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825669458 607612645 /nfs/dbraw/zinc/61/26/45/607612645.db2.gz YFWWMGMRMFGZHJ-XMMPIXPASA-N -1 3 397.404 0.932 20 0 GCADHM COc1ccc(COC(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1-c1nnn[n-]1 ZINC000826205706 607612785 /nfs/dbraw/zinc/61/27/85/607612785.db2.gz IMWUXPNWMVCZBV-UHFFFAOYSA-N -1 3 393.381 0.781 20 0 GCADHM COc1ccc(COC(=O)c2cc(S(N)(=O)=O)c(C)o2)cc1-c1nn[n-]n1 ZINC000826205706 607612787 /nfs/dbraw/zinc/61/27/87/607612787.db2.gz IMWUXPNWMVCZBV-UHFFFAOYSA-N -1 3 393.381 0.781 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)n1C ZINC000825884166 607615425 /nfs/dbraw/zinc/61/54/25/607615425.db2.gz UDVJAWVWLOMJBQ-UHFFFAOYSA-N -1 3 396.864 0.798 20 0 GCADHM CN(C)c1ncc(CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)n1C ZINC000825884166 607615426 /nfs/dbraw/zinc/61/54/26/607615426.db2.gz UDVJAWVWLOMJBQ-UHFFFAOYSA-N -1 3 396.864 0.798 20 0 GCADHM COCCN(CCC(=O)OC)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826157990 607615492 /nfs/dbraw/zinc/61/54/92/607615492.db2.gz VEDVRJZEBQBYDK-UHFFFAOYSA-N -1 3 383.430 0.375 20 0 GCADHM COCCN(CCC(=O)OC)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826157990 607615493 /nfs/dbraw/zinc/61/54/93/607615493.db2.gz VEDVRJZEBQBYDK-UHFFFAOYSA-N -1 3 383.430 0.375 20 0 GCADHM C[S@](=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826225002 607618444 /nfs/dbraw/zinc/61/84/44/607618444.db2.gz QYSXSABNYPCBGV-QHCPKHFHSA-N -1 3 383.377 0.542 20 0 GCADHM CCc1ncc(NC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000825750258 607620074 /nfs/dbraw/zinc/62/00/74/607620074.db2.gz OGKIQEXHLWTRHF-UHFFFAOYSA-N -1 3 380.416 0.968 20 0 GCADHM CCc1ncc(NC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000825750258 607620075 /nfs/dbraw/zinc/62/00/75/607620075.db2.gz OGKIQEXHLWTRHF-UHFFFAOYSA-N -1 3 380.416 0.968 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CN1CCOCC1 ZINC000824426182 607620829 /nfs/dbraw/zinc/62/08/29/607620829.db2.gz BGPWRMRJKWVJJV-NSHDSACASA-N -1 3 384.437 0.252 20 0 GCADHM C[C@@H](CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1)CN1CCOCC1 ZINC000824426182 607620830 /nfs/dbraw/zinc/62/08/30/607620830.db2.gz BGPWRMRJKWVJJV-NSHDSACASA-N -1 3 384.437 0.252 20 0 GCADHM C[C@H](NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)[C@H](O)Cc1ccccc1 ZINC000824497945 607621173 /nfs/dbraw/zinc/62/11/73/607621173.db2.gz ANASRRRHVFQHEY-XJKSGUPXSA-N -1 3 396.455 0.965 20 0 GCADHM C[C@H](NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)[C@H](O)Cc1ccccc1 ZINC000824497945 607621174 /nfs/dbraw/zinc/62/11/74/607621174.db2.gz ANASRRRHVFQHEY-XJKSGUPXSA-N -1 3 396.455 0.965 20 0 GCADHM COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000737993993 603318046 /nfs/dbraw/zinc/31/80/46/603318046.db2.gz DVJLVQYLQADQSI-CYBMUJFWSA-N -1 3 378.429 0.954 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)o1 ZINC000826393050 607622907 /nfs/dbraw/zinc/62/29/07/607622907.db2.gz ZLKAHUAJMLVYSY-UHFFFAOYSA-N -1 3 382.384 0.352 20 0 GCADHM NC(=O)c1ccc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)o1 ZINC000826393050 607622909 /nfs/dbraw/zinc/62/29/09/607622909.db2.gz ZLKAHUAJMLVYSY-UHFFFAOYSA-N -1 3 382.384 0.352 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1-c1nnn[n-]1 ZINC000826199426 607623764 /nfs/dbraw/zinc/62/37/64/607623764.db2.gz YMVDEVILZNWEOF-SNVBAGLBSA-N -1 3 375.433 0.978 20 0 GCADHM COc1ccc(CNC(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1-c1nn[n-]n1 ZINC000826199426 607623766 /nfs/dbraw/zinc/62/37/66/607623766.db2.gz YMVDEVILZNWEOF-SNVBAGLBSA-N -1 3 375.433 0.978 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826197557 607624490 /nfs/dbraw/zinc/62/44/90/607624490.db2.gz UJOJVYIAOAUHDZ-LLVKDONJSA-N -1 3 380.430 0.204 20 0 GCADHM COc1ccc(CNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826197557 607624492 /nfs/dbraw/zinc/62/44/92/607624492.db2.gz UJOJVYIAOAUHDZ-LLVKDONJSA-N -1 3 380.430 0.204 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1-c1nnn[n-]1 ZINC000826198187 607625108 /nfs/dbraw/zinc/62/51/08/607625108.db2.gz PNUPSKSKBHOLDX-AWEZNQCLSA-N -1 3 398.427 0.682 20 0 GCADHM COc1ccc(CNC(=O)N2CCO[C@H](Cn3cccn3)C2)cc1-c1nn[n-]n1 ZINC000826198187 607625110 /nfs/dbraw/zinc/62/51/10/607625110.db2.gz PNUPSKSKBHOLDX-AWEZNQCLSA-N -1 3 398.427 0.682 20 0 GCADHM COc1ccc(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1-c1nnn[n-]1 ZINC000826198378 607625168 /nfs/dbraw/zinc/62/51/68/607625168.db2.gz WOBKXXUHSZEOIP-ZIAGYGMSSA-N -1 3 385.428 0.828 20 0 GCADHM COc1ccc(CNC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1-c1nn[n-]n1 ZINC000826198378 607625170 /nfs/dbraw/zinc/62/51/70/607625170.db2.gz WOBKXXUHSZEOIP-ZIAGYGMSSA-N -1 3 385.428 0.828 20 0 GCADHM COc1ccc([C@H](O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000826189543 607626007 /nfs/dbraw/zinc/62/60/07/607626007.db2.gz YGYXMISIPXGQRG-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc([C@H](O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826189543 607626009 /nfs/dbraw/zinc/62/60/09/607626009.db2.gz YGYXMISIPXGQRG-CQSZACIVSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc([C@@H](O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826189122 607626012 /nfs/dbraw/zinc/62/60/12/607626012.db2.gz NZIAGLKUFFXVRL-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc([C@@H](O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826189122 607626015 /nfs/dbraw/zinc/62/60/15/607626015.db2.gz NZIAGLKUFFXVRL-HNNXBMFYSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc([C@H](O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826189123 607626158 /nfs/dbraw/zinc/62/61/58/607626158.db2.gz NZIAGLKUFFXVRL-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc([C@H](O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826189123 607626159 /nfs/dbraw/zinc/62/61/59/607626159.db2.gz NZIAGLKUFFXVRL-OAHLLOKOSA-N -1 3 375.410 0.887 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H](O)COCC2CC2)cc1-c1nnn[n-]1 ZINC000826199511 607627007 /nfs/dbraw/zinc/62/70/07/607627007.db2.gz BDOVKEOGFRPDHK-CYBMUJFWSA-N -1 3 376.417 0.462 20 0 GCADHM COc1ccc(CNC(=O)NC[C@@H](O)COCC2CC2)cc1-c1nn[n-]n1 ZINC000826199511 607627008 /nfs/dbraw/zinc/62/70/08/607627008.db2.gz BDOVKEOGFRPDHK-CYBMUJFWSA-N -1 3 376.417 0.462 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nnn[n-]2)c1)NC[C@H](O)COc1ccccc1 ZINC000826487012 607627013 /nfs/dbraw/zinc/62/70/13/607627013.db2.gz ZZUAVEIFEWNIBZ-HNNXBMFYSA-N -1 3 389.437 0.726 20 0 GCADHM O=S(=O)(Cc1cccc(-c2nn[n-]n2)c1)NC[C@H](O)COc1ccccc1 ZINC000826487012 607627015 /nfs/dbraw/zinc/62/70/15/607627015.db2.gz ZZUAVEIFEWNIBZ-HNNXBMFYSA-N -1 3 389.437 0.726 20 0 GCADHM COc1ccc(CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)cc1-c1nnn[n-]1 ZINC000826197011 607627606 /nfs/dbraw/zinc/62/76/06/607627606.db2.gz WLIZICSLTKQWHH-KRWDZBQOSA-N -1 3 387.400 0.260 20 0 GCADHM COc1ccc(CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)cc1-c1nn[n-]n1 ZINC000826197011 607627608 /nfs/dbraw/zinc/62/76/08/607627608.db2.gz WLIZICSLTKQWHH-KRWDZBQOSA-N -1 3 387.400 0.260 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CCCN2c2ncccn2)cc1-c1nnn[n-]1 ZINC000826197088 607627703 /nfs/dbraw/zinc/62/77/03/607627703.db2.gz YZFHKHNWYYCOTE-CQSZACIVSA-N -1 3 380.412 0.951 20 0 GCADHM COc1ccc(CNC(=O)[C@H]2CCCN2c2ncccn2)cc1-c1nn[n-]n1 ZINC000826197088 607627704 /nfs/dbraw/zinc/62/77/04/607627704.db2.gz YZFHKHNWYYCOTE-CQSZACIVSA-N -1 3 380.412 0.951 20 0 GCADHM CCn1cc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)ccc1=O ZINC000825799431 607630537 /nfs/dbraw/zinc/63/05/37/607630537.db2.gz KNBPIQRMBRWNJU-UHFFFAOYSA-N -1 3 397.395 0.312 20 0 GCADHM CCn1cc(NC(=O)C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)ccc1=O ZINC000825799431 607630538 /nfs/dbraw/zinc/63/05/38/607630538.db2.gz KNBPIQRMBRWNJU-UHFFFAOYSA-N -1 3 397.395 0.312 20 0 GCADHM COc1ccncc1NC(=O)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826221497 607631205 /nfs/dbraw/zinc/63/12/05/607631205.db2.gz IQAMAUBGXXCFFI-UHFFFAOYSA-N -1 3 383.368 0.534 20 0 GCADHM COc1ccncc1NC(=O)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826221497 607631207 /nfs/dbraw/zinc/63/12/07/607631207.db2.gz IQAMAUBGXXCFFI-UHFFFAOYSA-N -1 3 383.368 0.534 20 0 GCADHM O=C(NC[C@H]1CCCn2ccnc21)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826434951 607631583 /nfs/dbraw/zinc/63/15/83/607631583.db2.gz CBUXTOFWGVNCFK-SNVBAGLBSA-N -1 3 384.375 0.835 20 0 GCADHM O=C(NC[C@H]1CCCn2ccnc21)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826434951 607631585 /nfs/dbraw/zinc/63/15/85/607631585.db2.gz CBUXTOFWGVNCFK-SNVBAGLBSA-N -1 3 384.375 0.835 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000826493918 607634201 /nfs/dbraw/zinc/63/42/01/607634201.db2.gz IUNVCIOUSHWXTJ-MNOVXSKESA-N -1 3 377.348 0.943 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000826493918 607634203 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0.926 20 0 GCADHM O=S(=O)(NCc1cn(-c2ccccc2)nn1)c1ccccc1-c1nn[n-]n1 ZINC000826492183 607670092 /nfs/dbraw/zinc/67/00/92/607670092.db2.gz WVOPKVADGPLZLT-UHFFFAOYSA-N -1 3 382.409 0.926 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC(OCCCO)CC1 ZINC000826494879 607670243 /nfs/dbraw/zinc/67/02/43/607670243.db2.gz SZDHVXAXAIRYHS-UHFFFAOYSA-N -1 3 385.421 0.558 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC(OCCCO)CC1 ZINC000826494879 607670245 /nfs/dbraw/zinc/67/02/45/607670245.db2.gz SZDHVXAXAIRYHS-UHFFFAOYSA-N -1 3 385.421 0.558 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)[C@H]2CCCC[C@@H]2N1 ZINC000826481129 607671344 /nfs/dbraw/zinc/67/13/44/607671344.db2.gz INIAMOOPEMDQIC-RYUDHWBXSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)[C@@H]2CCCC[C@H]2N1 ZINC000826481130 607671421 /nfs/dbraw/zinc/67/14/21/607671421.db2.gz INIAMOOPEMDQIC-VXGBXAGGSA-N -1 3 396.860 0.952 20 0 GCADHM C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824406158 607673780 /nfs/dbraw/zinc/67/37/80/607673780.db2.gz DSCZUXCHFIUIRJ-QMMMGPOBSA-N -1 3 377.423 0.107 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826103021 607675334 /nfs/dbraw/zinc/67/53/34/607675334.db2.gz BSZCHXGELADUMK-GFCCVEGCSA-N -1 3 383.430 0.454 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826103021 607675336 /nfs/dbraw/zinc/67/53/36/607675336.db2.gz BSZCHXGELADUMK-GFCCVEGCSA-N -1 3 383.430 0.454 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825583799 607676480 /nfs/dbraw/zinc/67/64/80/607676480.db2.gz XMQWDZPRMDBTBC-NSHDSACASA-N -1 3 387.393 0.204 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@@H]1N1CCOCC1 ZINC000825209831 607676595 /nfs/dbraw/zinc/67/65/95/607676595.db2.gz CTIYPQIXIGPMRO-ZFWWWQNUSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@@H]1N1CCOCC1 ZINC000825209831 607676596 /nfs/dbraw/zinc/67/65/96/607676596.db2.gz CTIYPQIXIGPMRO-ZFWWWQNUSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C[C@H]1N1CCOCC1 ZINC000825209825 607676714 /nfs/dbraw/zinc/67/67/14/607676714.db2.gz CTIYPQIXIGPMRO-DZGCQCFKSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C[C@H]1N1CCOCC1 ZINC000825209825 607676716 /nfs/dbraw/zinc/67/67/16/607676716.db2.gz CTIYPQIXIGPMRO-DZGCQCFKSA-N -1 3 392.485 0.598 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000826249985 607677304 /nfs/dbraw/zinc/67/73/04/607677304.db2.gz DTXONILEEZRGCU-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000826249985 607677306 /nfs/dbraw/zinc/67/73/06/607677306.db2.gz DTXONILEEZRGCU-UHFFFAOYSA-N -1 3 379.380 0.643 20 0 GCADHM COCCn1cc(S(=O)(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826163939 607683076 /nfs/dbraw/zinc/68/30/76/607683076.db2.gz RJYPVTUQCZYLLA-LLVKDONJSA-N -1 3 377.430 0.749 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000826472012 607683405 /nfs/dbraw/zinc/68/34/05/607683405.db2.gz UNWVVJKDRFPWRL-UHFFFAOYSA-N -1 3 387.425 0.342 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000826472012 607683406 /nfs/dbraw/zinc/68/34/06/607683406.db2.gz UNWVVJKDRFPWRL-UHFFFAOYSA-N -1 3 387.425 0.342 20 0 GCADHM O=C([O-])C1(NCC(=O)NCc2cc(F)cc(F)c2)CCS(=O)(=O)CC1 ZINC000833110548 604437726 /nfs/dbraw/zinc/43/77/26/604437726.db2.gz TWSBMGRVSHKPOI-UHFFFAOYSA-N -1 3 376.381 0.203 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000826246095 607694149 /nfs/dbraw/zinc/69/41/49/607694149.db2.gz RJKKMFZQUSEQGT-UHFFFAOYSA-N -1 3 390.411 0.575 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000826246095 607694150 /nfs/dbraw/zinc/69/41/50/607694150.db2.gz RJKKMFZQUSEQGT-UHFFFAOYSA-N -1 3 390.411 0.575 20 0 GCADHM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000833701566 604476721 /nfs/dbraw/zinc/47/67/21/604476721.db2.gz KTRVYNRCCLGQMQ-SFHVURJKSA-N -1 3 389.452 0.839 20 0 GCADHM COC(=O)[C@H](c1cccc(C(=O)[O-])c1)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000833702770 604483636 /nfs/dbraw/zinc/48/36/36/604483636.db2.gz ZPDMJTCMGVEJQG-SJORKVTESA-N -1 3 389.452 0.837 20 0 GCADHM CN1CCC[C@H]1C(=O)N1CCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CC1 ZINC000830935138 604503364 /nfs/dbraw/zinc/50/33/64/604503364.db2.gz QIURYZWDIAFXSQ-QXPQOBGOSA-N -1 3 396.513 0.116 20 0 GCADHM CCNC(=O)COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1OC ZINC000825471362 607699218 /nfs/dbraw/zinc/69/92/18/607699218.db2.gz SRJSRVOOPFSFGP-UHFFFAOYSA-N -1 3 399.411 0.648 20 0 GCADHM CCNC(=O)COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1OC ZINC000825471362 607699220 /nfs/dbraw/zinc/69/92/20/607699220.db2.gz SRJSRVOOPFSFGP-UHFFFAOYSA-N -1 3 399.411 0.648 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000826247637 607702271 /nfs/dbraw/zinc/70/22/71/607702271.db2.gz JVTFDTLFQCKTHB-BXUZGUMPSA-N -1 3 378.458 0.575 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@H]1C ZINC000826247637 607702274 /nfs/dbraw/zinc/70/22/74/607702274.db2.gz JVTFDTLFQCKTHB-BXUZGUMPSA-N -1 3 378.458 0.575 20 0 GCADHM O=C(COc1ccc(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1)NC1CC1 ZINC000826418296 607702722 /nfs/dbraw/zinc/70/27/22/607702722.db2.gz ZNMQAVJHSCCKCX-UHFFFAOYSA-N -1 3 395.423 0.825 20 0 GCADHM O=C(COc1ccc(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1)NC1CC1 ZINC000826418296 607702724 /nfs/dbraw/zinc/70/27/24/607702724.db2.gz ZNMQAVJHSCCKCX-UHFFFAOYSA-N -1 3 395.423 0.825 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000826245456 607702949 /nfs/dbraw/zinc/70/29/49/607702949.db2.gz YNAYBQBPEJEWPB-HNNXBMFYSA-N -1 3 397.483 0.944 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000826245456 607702951 /nfs/dbraw/zinc/70/29/51/607702951.db2.gz YNAYBQBPEJEWPB-HNNXBMFYSA-N -1 3 397.483 0.944 20 0 GCADHM Cn1ccnc1[C@@](O)(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC000826363982 607704312 /nfs/dbraw/zinc/70/43/12/607704312.db2.gz HKBKXFTVPSPHJS-ZDUSSCGKSA-N -1 3 384.322 0.498 20 0 GCADHM Cn1ccnc1[C@@](O)(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC000826363982 607704313 /nfs/dbraw/zinc/70/43/13/607704313.db2.gz HKBKXFTVPSPHJS-ZDUSSCGKSA-N -1 3 384.322 0.498 20 0 GCADHM CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)CC1 ZINC000826038553 607705988 /nfs/dbraw/zinc/70/59/88/607705988.db2.gz QQLDMXBFZGBZOS-UHFFFAOYSA-N -1 3 380.412 0.835 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000826471283 607706418 /nfs/dbraw/zinc/70/64/18/607706418.db2.gz UHRBGPGUTMEBMN-WDEREUQCSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000826471283 607706419 /nfs/dbraw/zinc/70/64/19/607706419.db2.gz UHRBGPGUTMEBMN-WDEREUQCSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000826471282 607706424 /nfs/dbraw/zinc/70/64/24/607706424.db2.gz UHRBGPGUTMEBMN-QWRGUYRKSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000826471282 607706425 /nfs/dbraw/zinc/70/64/25/607706425.db2.gz UHRBGPGUTMEBMN-QWRGUYRKSA-N -1 3 380.430 0.003 20 0 GCADHM O=C(NCc1cccc(OCCN2CCOCC2)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826442641 607709223 /nfs/dbraw/zinc/70/92/23/607709223.db2.gz FFPSRRKAUBGTCQ-UHFFFAOYSA-N -1 3 397.439 0.836 20 0 GCADHM O=C(NCc1cccc(OCCN2CCOCC2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826442641 607709225 /nfs/dbraw/zinc/70/92/25/607709225.db2.gz FFPSRRKAUBGTCQ-UHFFFAOYSA-N -1 3 397.439 0.836 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000826248538 607710312 /nfs/dbraw/zinc/71/03/12/607710312.db2.gz MZLSIXJAAFOQJA-UHFFFAOYSA-N -1 3 387.425 0.278 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000826248538 607710314 /nfs/dbraw/zinc/71/03/14/607710314.db2.gz MZLSIXJAAFOQJA-UHFFFAOYSA-N -1 3 387.425 0.278 20 0 GCADHM COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826187391 607710709 /nfs/dbraw/zinc/71/07/09/607710709.db2.gz OETUXQIPZIQJDY-UHFFFAOYSA-N -1 3 397.395 0.928 20 0 GCADHM COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826187391 607710711 /nfs/dbraw/zinc/71/07/11/607710711.db2.gz OETUXQIPZIQJDY-UHFFFAOYSA-N -1 3 397.395 0.928 20 0 GCADHM COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CCO[C@H](CN(C)C)C1 ZINC000831369917 604759634 /nfs/dbraw/zinc/75/96/34/604759634.db2.gz LCCHSBUKGXGHQX-TZMCWYRMSA-N -1 3 393.440 0.761 20 0 GCADHM Cc1ccc(NC(=O)CN(CCC(=O)[O-])C2CCOCC2)cc1S(N)(=O)=O ZINC000832943529 604771491 /nfs/dbraw/zinc/77/14/91/604771491.db2.gz FFFASEBCPDYEGY-UHFFFAOYSA-N -1 3 399.469 0.537 20 0 GCADHM C[C@@]1(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)NC(=O)NC1=O ZINC000824844298 607720548 /nfs/dbraw/zinc/72/05/48/607720548.db2.gz VGCYGRRIYVOHDN-KRWDZBQOSA-N -1 3 380.368 0.179 20 0 GCADHM C[C@@]1(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)NC(=O)NC1=O ZINC000824844298 607720549 /nfs/dbraw/zinc/72/05/49/607720549.db2.gz VGCYGRRIYVOHDN-KRWDZBQOSA-N -1 3 380.368 0.179 20 0 GCADHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824770195 607721623 /nfs/dbraw/zinc/72/16/23/607721623.db2.gz GIVZFMJVTYFQET-VIFPVBQESA-N -1 3 375.414 0.675 20 0 GCADHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824770195 607721625 /nfs/dbraw/zinc/72/16/25/607721625.db2.gz GIVZFMJVTYFQET-VIFPVBQESA-N -1 3 375.414 0.675 20 0 GCADHM CC(C)(C(=O)[O-])[C@@H]1CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC000833421695 604950387 /nfs/dbraw/zinc/95/03/87/604950387.db2.gz YOETZXUVLIIGJH-OAHLLOKOSA-N -1 3 391.468 0.990 20 0 GCADHM COC[C@@](C)(CC(=O)[O-])NCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000833722400 604954307 /nfs/dbraw/zinc/95/43/07/604954307.db2.gz UCNBBYXMAKRPBN-LJQANCHMSA-N -1 3 392.456 0.832 20 0 GCADHM O=C([O-])[C@H](O)C1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000833771096 604980916 /nfs/dbraw/zinc/98/09/16/604980916.db2.gz VMBHLGSSDLDEMJ-HUUCEWRRSA-N -1 3 377.397 0.022 20 0 GCADHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nc(CCC(=O)[O-])cs2)CC1 ZINC000830935074 604992253 /nfs/dbraw/zinc/99/22/53/604992253.db2.gz OOXHVYSHINWHHP-CYBMUJFWSA-N -1 3 395.485 0.931 20 0 GCADHM O=S(=O)(NCc1ccc(-c2nnn[n-]2)cc1F)c1cnn([C@H]2CCOC2)c1 ZINC000826491891 607741735 /nfs/dbraw/zinc/74/17/35/607741735.db2.gz IWLJXPJYEMUEJH-LBPRGKRZSA-N -1 3 393.404 0.642 20 0 GCADHM O=S(=O)(NCc1ccc(-c2nn[n-]n2)cc1F)c1cnn([C@H]2CCOC2)c1 ZINC000826491891 607741736 /nfs/dbraw/zinc/74/17/36/607741736.db2.gz IWLJXPJYEMUEJH-LBPRGKRZSA-N -1 3 393.404 0.642 20 0 GCADHM O=S(=O)(NC[C@@H](O)C1CC1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826489457 607742561 /nfs/dbraw/zinc/74/25/61/607742561.db2.gz QBXGTSFVALFXGP-LLVKDONJSA-N -1 3 377.348 0.935 20 0 GCADHM O=S(=O)(NC[C@@H](O)C1CC1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826489457 607742562 /nfs/dbraw/zinc/74/25/62/607742562.db2.gz QBXGTSFVALFXGP-LLVKDONJSA-N -1 3 377.348 0.935 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cn2)C[C@H](C)O1 ZINC000824966782 607742667 /nfs/dbraw/zinc/74/26/67/607742667.db2.gz DUPCPGGIFSGNRS-PHIMTYICSA-N -1 3 399.415 0.279 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cn2)C[C@H](C)O1 ZINC000824966782 607742668 /nfs/dbraw/zinc/74/26/68/607742668.db2.gz DUPCPGGIFSGNRS-PHIMTYICSA-N -1 3 399.415 0.279 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000826495114 607744590 /nfs/dbraw/zinc/74/45/90/607744590.db2.gz CTRBTEXSGPLHOB-NSHDSACASA-N -1 3 392.420 0.698 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833621256 605296413 /nfs/dbraw/zinc/29/64/13/605296413.db2.gz MZXCWLDPHNQWIC-APWZRJJASA-N -1 3 377.485 0.987 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)[C@H](C)C1 ZINC000823974499 607746300 /nfs/dbraw/zinc/74/63/00/607746300.db2.gz POCXFFKKMCDFJC-RISCZKNCSA-N -1 3 378.458 0.710 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)[C@H](C)C1 ZINC000823974499 607746301 /nfs/dbraw/zinc/74/63/01/607746301.db2.gz POCXFFKKMCDFJC-RISCZKNCSA-N -1 3 378.458 0.710 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000823973231 607746486 /nfs/dbraw/zinc/74/64/86/607746486.db2.gz JLEOZLZEVZHDNM-NHYWBVRUSA-N -1 3 378.458 0.543 20 0 GCADHM CC(=O)N1CC[C@H](NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000823973231 607746487 /nfs/dbraw/zinc/74/64/87/607746487.db2.gz JLEOZLZEVZHDNM-NHYWBVRUSA-N -1 3 378.458 0.543 20 0 GCADHM Cn1cc(O)c(=O)cc1CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826362157 607748196 /nfs/dbraw/zinc/74/81/96/607748196.db2.gz GFHRQPZWKKBHEE-OAHLLOKOSA-N -1 3 395.423 0.556 20 0 GCADHM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825122162 607754146 /nfs/dbraw/zinc/75/41/46/607754146.db2.gz XKKOFGQSPWUZQF-LBPRGKRZSA-N -1 3 383.412 0.877 20 0 GCADHM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 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/nfs/dbraw/zinc/15/37/19/606153719.db2.gz NDELYFLDQTWFIG-CQSZACIVSA-N -1 3 382.833 0.443 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000823246134 606157440 /nfs/dbraw/zinc/15/74/40/606157440.db2.gz CUQFZARAKCLIRX-HNNXBMFYSA-N -1 3 385.428 0.446 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000823246134 606157442 /nfs/dbraw/zinc/15/74/42/606157442.db2.gz CUQFZARAKCLIRX-HNNXBMFYSA-N -1 3 385.428 0.446 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820146976 606158894 /nfs/dbraw/zinc/15/88/94/606158894.db2.gz WLKXLLXAYDDNCH-UHFFFAOYSA-N -1 3 394.501 0.739 20 0 GCADHM CC(C)OCCS(=O)(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820146976 606158896 /nfs/dbraw/zinc/15/88/96/606158896.db2.gz WLKXLLXAYDDNCH-UHFFFAOYSA-N -1 3 394.501 0.739 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000821578270 606161625 /nfs/dbraw/zinc/16/16/25/606161625.db2.gz WFCJBKSBBOWKKE-UHFFFAOYSA-N -1 3 383.416 0.815 20 0 GCADHM CN(C)C(=O)Cn1cc(NC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000821578270 606161627 /nfs/dbraw/zinc/16/16/27/606161627.db2.gz WFCJBKSBBOWKKE-UHFFFAOYSA-N -1 3 383.416 0.815 20 0 GCADHM Cn1ncc2cc(C(=O)OCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)cnc21 ZINC000822709975 606167826 /nfs/dbraw/zinc/16/78/26/606167826.db2.gz SUEZSNMJEFYJSJ-UHFFFAOYSA-N -1 3 378.352 0.944 20 0 GCADHM Cn1ncc2cc(C(=O)OCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)cnc21 ZINC000822709975 606167827 /nfs/dbraw/zinc/16/78/27/606167827.db2.gz SUEZSNMJEFYJSJ-UHFFFAOYSA-N -1 3 378.352 0.944 20 0 GCADHM O=C1[C@@H](NC(=S)Nc2ccccc2-c2nnn[n-]2)CCN1C1CCOCC1 ZINC000823512124 606168381 /nfs/dbraw/zinc/16/83/81/606168381.db2.gz KXTLWVKLWXORIS-AWEZNQCLSA-N -1 3 387.469 0.933 20 0 GCADHM O=C1[C@@H](NC(=S)Nc2ccccc2-c2nn[n-]n2)CCN1C1CCOCC1 ZINC000823512124 606168383 /nfs/dbraw/zinc/16/83/83/606168383.db2.gz KXTLWVKLWXORIS-AWEZNQCLSA-N -1 3 387.469 0.933 20 0 GCADHM COCCCS(=O)(=O)NCCSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC000821688485 606170822 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C[C@H]1CN=C(N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)S1 ZINC000820804223 606185772 /nfs/dbraw/zinc/18/57/72/606185772.db2.gz OHPLNFSRDPRGGA-LBPRGKRZSA-N -1 3 386.485 0.914 20 0 GCADHM C[C@@H]1CN=C(N2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)S1 ZINC000820804222 606185910 /nfs/dbraw/zinc/18/59/10/606185910.db2.gz OHPLNFSRDPRGGA-GFCCVEGCSA-N -1 3 386.485 0.914 20 0 GCADHM C[C@@H]1CN=C(N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)S1 ZINC000820804222 606185912 /nfs/dbraw/zinc/18/59/12/606185912.db2.gz OHPLNFSRDPRGGA-GFCCVEGCSA-N -1 3 386.485 0.914 20 0 GCADHM CCN1C(=O)[C@@H]2CN([C@@H](C)C(=O)Nc3cccc(-c4nnn[n-]4)c3)CCN2C1=O ZINC000821242287 606185930 /nfs/dbraw/zinc/18/59/30/606185930.db2.gz RHGBKHRSOVZZHJ-FZMZJTMJSA-N -1 3 398.427 0.162 20 0 GCADHM CCN1C(=O)[C@@H]2CN([C@@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CCN2C1=O ZINC000821242287 606185932 /nfs/dbraw/zinc/18/59/32/606185932.db2.gz RHGBKHRSOVZZHJ-FZMZJTMJSA-N -1 3 398.427 0.162 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823144762 606186707 /nfs/dbraw/zinc/18/67/07/606186707.db2.gz LIQCBSLLSNYKPQ-HNNXBMFYSA-N -1 3 390.469 0.383 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823144762 606186709 /nfs/dbraw/zinc/18/67/09/606186709.db2.gz LIQCBSLLSNYKPQ-HNNXBMFYSA-N -1 3 390.469 0.383 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820685772 606187662 /nfs/dbraw/zinc/18/76/62/606187662.db2.gz VFBXWBLQLOBPMX-WCQYABFASA-N -1 3 378.458 0.226 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820685772 606187664 /nfs/dbraw/zinc/18/76/64/606187664.db2.gz VFBXWBLQLOBPMX-WCQYABFASA-N -1 3 378.458 0.226 20 0 GCADHM NC(=O)C[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822865079 606187823 /nfs/dbraw/zinc/18/78/23/606187823.db2.gz URLMZCDRKNWENM-ZDUSSCGKSA-N -1 3 378.458 0.370 20 0 GCADHM NC(=O)C[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822865079 606187824 /nfs/dbraw/zinc/18/78/24/606187824.db2.gz URLMZCDRKNWENM-ZDUSSCGKSA-N -1 3 378.458 0.370 20 0 GCADHM COC(=O)[C@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821656107 606188155 /nfs/dbraw/zinc/18/81/55/606188155.db2.gz XYXHAANRFKYIPF-ZDUSSCGKSA-N -1 3 379.442 0.525 20 0 GCADHM COC(=O)[C@H]1CCCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821656107 606188158 /nfs/dbraw/zinc/18/81/58/606188158.db2.gz XYXHAANRFKYIPF-ZDUSSCGKSA-N -1 3 379.442 0.525 20 0 GCADHM C[C@@H]1[C@H](C)N(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000820642916 606188384 /nfs/dbraw/zinc/18/83/84/606188384.db2.gz MTOMYJVAGSKWQP-NWDGAFQWSA-N -1 3 399.498 0.148 20 0 GCADHM C[C@@H]1[C@H](C)N(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820642916 606188385 /nfs/dbraw/zinc/18/83/85/606188385.db2.gz MTOMYJVAGSKWQP-NWDGAFQWSA-N -1 3 399.498 0.148 20 0 GCADHM CO[C@@H](C)c1noc(CN(C)CC(=O)NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821675686 606192022 /nfs/dbraw/zinc/19/20/22/606192022.db2.gz RDXTYCNOBKJFKL-NSHDSACASA-N -1 3 386.416 0.705 20 0 GCADHM CO[C@@H](C)c1noc(CN(C)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000821675686 606192023 /nfs/dbraw/zinc/19/20/23/606192023.db2.gz RDXTYCNOBKJFKL-NSHDSACASA-N -1 3 386.416 0.705 20 0 GCADHM C[C@]1(C2CCN(c3nc4c(cc3-c3nnn[n-]3)CCC4)CC2)NC(=O)NC1=O ZINC000820613138 606198377 /nfs/dbraw/zinc/19/83/77/606198377.db2.gz UIZSIEYQRGJQNC-GOSISDBHSA-N -1 3 382.428 0.565 20 0 GCADHM C[C@]1(C2CCN(c3nc4c(cc3-c3nn[n-]n3)CCC4)CC2)NC(=O)NC1=O ZINC000820613138 606198378 /nfs/dbraw/zinc/19/83/78/606198378.db2.gz UIZSIEYQRGJQNC-GOSISDBHSA-N -1 3 382.428 0.565 20 0 GCADHM COC1CCN(CCNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000821679547 606202271 /nfs/dbraw/zinc/20/22/71/606202271.db2.gz BVPWHHIUXOGHFD-UHFFFAOYSA-N -1 3 384.437 0.395 20 0 GCADHM COC1CCN(CCNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000821679547 606202273 /nfs/dbraw/zinc/20/22/73/606202273.db2.gz BVPWHHIUXOGHFD-UHFFFAOYSA-N -1 3 384.437 0.395 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821588299 606216499 /nfs/dbraw/zinc/21/64/99/606216499.db2.gz LFINAKYIMXZDMY-UHFFFAOYSA-N -1 3 389.441 0.386 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821588299 606216501 /nfs/dbraw/zinc/21/65/01/606216501.db2.gz LFINAKYIMXZDMY-UHFFFAOYSA-N -1 3 389.441 0.386 20 0 GCADHM COC(=O)/C(C)=C/COC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821638831 606226186 /nfs/dbraw/zinc/22/61/86/606226186.db2.gz JELXIGIQRVPPAX-JXMROGBWSA-N -1 3 383.368 0.911 20 0 GCADHM COC(=O)/C(C)=C/COC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821638831 606226187 /nfs/dbraw/zinc/22/61/87/606226187.db2.gz JELXIGIQRVPPAX-JXMROGBWSA-N -1 3 383.368 0.911 20 0 GCADHM COC(=O)/C(C)=C/COC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821639427 606227464 /nfs/dbraw/zinc/22/74/64/606227464.db2.gz YLRMYUOZYKTSPT-YRNVUSSQSA-N -1 3 394.409 0.444 20 0 GCADHM COC(=O)/C(C)=C/COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821639427 606227466 /nfs/dbraw/zinc/22/74/66/606227466.db2.gz YLRMYUOZYKTSPT-YRNVUSSQSA-N -1 3 394.409 0.444 20 0 GCADHM COC(=O)C1(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC000821654172 606228948 /nfs/dbraw/zinc/22/89/48/606228948.db2.gz WAGPBORAADXBLI-UHFFFAOYSA-N -1 3 376.373 0.344 20 0 GCADHM COC(=O)C1(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC000821654172 606228949 /nfs/dbraw/zinc/22/89/49/606228949.db2.gz WAGPBORAADXBLI-UHFFFAOYSA-N -1 3 376.373 0.344 20 0 GCADHM CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819782245 606229550 /nfs/dbraw/zinc/22/95/50/606229550.db2.gz JCAWUURPYPPIOJ-CQSZACIVSA-N -1 3 382.380 0.668 20 0 GCADHM CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819782245 606229551 /nfs/dbraw/zinc/22/95/51/606229551.db2.gz JCAWUURPYPPIOJ-CQSZACIVSA-N -1 3 382.380 0.668 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000820502993 606230899 /nfs/dbraw/zinc/23/08/99/606230899.db2.gz XBRWTBPXLSNZSF-CMPLNLGQSA-N -1 3 398.379 0.696 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000820502993 606230901 /nfs/dbraw/zinc/23/09/01/606230901.db2.gz XBRWTBPXLSNZSF-CMPLNLGQSA-N -1 3 398.379 0.696 20 0 GCADHM O=C(OCc1ccc(S(=O)(=O)N2CCCC2)o1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823426360 606232171 /nfs/dbraw/zinc/23/21/71/606232171.db2.gz FRMLYTKKDXYDTR-UHFFFAOYSA-N -1 3 392.397 0.929 20 0 GCADHM O=C(OCc1ccc(S(=O)(=O)N2CCCC2)o1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823426360 606232172 /nfs/dbraw/zinc/23/21/72/606232172.db2.gz FRMLYTKKDXYDTR-UHFFFAOYSA-N -1 3 392.397 0.929 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000821655546 606232991 /nfs/dbraw/zinc/23/29/91/606232991.db2.gz NFICFGZBPHXGBK-SECBINFHSA-N -1 3 376.373 0.152 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000821655546 606232992 /nfs/dbraw/zinc/23/29/92/606232992.db2.gz NFICFGZBPHXGBK-SECBINFHSA-N -1 3 376.373 0.152 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)NC(=O)NCC(F)(F)F ZINC000820500644 606234993 /nfs/dbraw/zinc/23/49/93/606234993.db2.gz FOBHLSPKSIKERL-RXMQYKEDSA-N -1 3 375.267 0.128 20 0 GCADHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)NC(=O)NCC(F)(F)F ZINC000820500644 606234994 /nfs/dbraw/zinc/23/49/94/606234994.db2.gz FOBHLSPKSIKERL-RXMQYKEDSA-N -1 3 375.267 0.128 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000822143648 606239270 /nfs/dbraw/zinc/23/92/70/606239270.db2.gz DXSVFSHIYFMLJJ-UKRRQHHQSA-N -1 3 392.485 0.516 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000822143648 606239271 /nfs/dbraw/zinc/23/92/71/606239271.db2.gz DXSVFSHIYFMLJJ-UKRRQHHQSA-N -1 3 392.485 0.516 20 0 GCADHM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)CCO2)cn1 ZINC000822674543 606239673 /nfs/dbraw/zinc/23/96/73/606239673.db2.gz WVFSLOWFAHLQEG-AWEZNQCLSA-N -1 3 393.404 0.502 20 0 GCADHM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)CCO2)cn1 ZINC000822674511 606239878 /nfs/dbraw/zinc/23/98/78/606239878.db2.gz WECLIWQLZHSDJG-ZDUSSCGKSA-N -1 3 393.404 0.502 20 0 GCADHM Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)CCO2)cn1 ZINC000822674511 606239879 /nfs/dbraw/zinc/23/98/79/606239879.db2.gz WECLIWQLZHSDJG-ZDUSSCGKSA-N -1 3 393.404 0.502 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000822655479 606244060 /nfs/dbraw/zinc/24/40/60/606244060.db2.gz KVCCQKYAVXALMP-UHFFFAOYSA-N -1 3 383.416 0.713 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 ZINC000822655479 606244062 /nfs/dbraw/zinc/24/40/62/606244062.db2.gz KVCCQKYAVXALMP-UHFFFAOYSA-N -1 3 383.416 0.713 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000823467066 606249290 /nfs/dbraw/zinc/24/92/90/606249290.db2.gz QRPXMNIUJPSVNH-UHFFFAOYSA-N -1 3 395.423 0.924 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000823467066 606249291 /nfs/dbraw/zinc/24/92/91/606249291.db2.gz QRPXMNIUJPSVNH-UHFFFAOYSA-N -1 3 395.423 0.924 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)cn3C)C2=O)cc1 ZINC000821794404 606254156 /nfs/dbraw/zinc/25/41/56/606254156.db2.gz GDHNWEHSVXNVHR-HNNXBMFYSA-N -1 3 395.423 0.745 20 0 GCADHM COc1ccc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)cn3C)C2=O)cc1 ZINC000821794404 606254157 /nfs/dbraw/zinc/25/41/57/606254157.db2.gz GDHNWEHSVXNVHR-HNNXBMFYSA-N -1 3 395.423 0.745 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(COC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821588571 606254871 /nfs/dbraw/zinc/25/48/71/606254871.db2.gz YVCXPZQFOVNGQW-UHFFFAOYSA-N -1 3 390.425 0.813 20 0 GCADHM CN(C)S(=O)(=O)c1cccc(COC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821588571 606254872 /nfs/dbraw/zinc/25/48/72/606254872.db2.gz YVCXPZQFOVNGQW-UHFFFAOYSA-N -1 3 390.425 0.813 20 0 GCADHM O=C(COc1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC000823040042 606256994 /nfs/dbraw/zinc/25/69/94/606256994.db2.gz BIHPWPWMBOGYLP-UHFFFAOYSA-N -1 3 399.386 0.697 20 0 GCADHM O=C(COc1ccc(F)cc1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC000823040042 606256995 /nfs/dbraw/zinc/25/69/95/606256995.db2.gz BIHPWPWMBOGYLP-UHFFFAOYSA-N -1 3 399.386 0.697 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000822622933 606258835 /nfs/dbraw/zinc/25/88/35/606258835.db2.gz KSQYDOHUVLWJQR-CQSZACIVSA-N -1 3 387.444 0.449 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000822622933 606258837 /nfs/dbraw/zinc/25/88/37/606258837.db2.gz KSQYDOHUVLWJQR-CQSZACIVSA-N -1 3 387.444 0.449 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000820386387 606259098 /nfs/dbraw/zinc/25/90/98/606259098.db2.gz YNDYBLPDAXKAPB-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000820386387 606259100 /nfs/dbraw/zinc/25/91/00/606259100.db2.gz YNDYBLPDAXKAPB-SNVBAGLBSA-N -1 3 389.441 0.936 20 0 GCADHM NC(=O)[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccc(Br)c1 ZINC000822850247 606265366 /nfs/dbraw/zinc/26/53/66/606265366.db2.gz 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O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000823337165 606267431 /nfs/dbraw/zinc/26/74/31/606267431.db2.gz HLLDDWTWXWEGDM-UHFFFAOYSA-N -1 3 389.372 0.442 20 0 GCADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000823337165 606267433 /nfs/dbraw/zinc/26/74/33/606267433.db2.gz HLLDDWTWXWEGDM-UHFFFAOYSA-N -1 3 389.372 0.442 20 0 GCADHM CN1CCN(C(=O)CC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CC1 ZINC000821625636 606273196 /nfs/dbraw/zinc/27/31/96/606273196.db2.gz SMUBIEJMEXQIMQ-UHFFFAOYSA-N -1 3 386.460 0.211 20 0 GCADHM CN1CCN(C(=O)CC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CC1 ZINC000821625636 606273197 /nfs/dbraw/zinc/27/31/97/606273197.db2.gz SMUBIEJMEXQIMQ-UHFFFAOYSA-N -1 3 386.460 0.211 20 0 GCADHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820563968 606275255 /nfs/dbraw/zinc/27/52/55/606275255.db2.gz WVQGSIVWHCTHRI-JTQLQIEISA-N -1 3 389.441 0.686 20 0 GCADHM C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820563968 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COCCCNC(=O)CN(C)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821687951 606318246 /nfs/dbraw/zinc/31/82/46/606318246.db2.gz XCTQGLPSJPUGGZ-LBPRGKRZSA-N -1 3 393.473 0.118 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1nc(N)nc(N(C)C)n1 ZINC000821690353 606318359 /nfs/dbraw/zinc/31/83/59/606318359.db2.gz HPFHLYSNOSMCNU-UHFFFAOYSA-N -1 3 384.448 0.349 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1nc(N)nc(N(C)C)n1 ZINC000821690353 606318361 /nfs/dbraw/zinc/31/83/61/606318361.db2.gz HPFHLYSNOSMCNU-UHFFFAOYSA-N -1 3 384.448 0.349 20 0 GCADHM COC(=O)[C@@H]1CCCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000821656011 606319833 /nfs/dbraw/zinc/31/98/33/606319833.db2.gz VVBLXINYKMMKER-ZYHUDNBSSA-N -1 3 376.442 0.919 20 0 GCADHM COC(=O)[C@@H]1CCCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000821656011 606319834 /nfs/dbraw/zinc/31/98/34/606319834.db2.gz VVBLXINYKMMKER-ZYHUDNBSSA-N -1 3 376.442 0.919 20 0 GCADHM CN(C[C@@H]1CN(C)CCO1)[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821628734 606320114 /nfs/dbraw/zinc/32/01/14/606320114.db2.gz PARSWMJGNGXPRX-WCQYABFASA-N -1 3 377.474 0.296 20 0 GCADHM CN(C[C@@H]1CN(C)CCO1)[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821628734 606320116 /nfs/dbraw/zinc/32/01/16/606320116.db2.gz PARSWMJGNGXPRX-WCQYABFASA-N -1 3 377.474 0.296 20 0 GCADHM CCc1nnc2n1CCN([C@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)C2 ZINC000821554968 606320397 /nfs/dbraw/zinc/32/03/97/606320397.db2.gz WMJQAKVPCFGYHR-NSHDSACASA-N -1 3 385.457 0.703 20 0 GCADHM CCc1nnc2n1CCN([C@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)C2 ZINC000821554968 606320399 /nfs/dbraw/zinc/32/03/99/606320399.db2.gz WMJQAKVPCFGYHR-NSHDSACASA-N -1 3 385.457 0.703 20 0 GCADHM C[C@H](O)CN1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C[C@@H]1C ZINC000820481667 606320428 /nfs/dbraw/zinc/32/04/28/606320428.db2.gz XOFMXICICXOOJZ-SGMGOOAPSA-N -1 3 391.501 0.420 20 0 GCADHM CCc1nnc2n1CCN([C@@H]1CCN(c3sccc3-c3nnn[n-]3)C1=O)C2 ZINC000821554966 606320606 /nfs/dbraw/zinc/32/06/06/606320606.db2.gz WMJQAKVPCFGYHR-LLVKDONJSA-N -1 3 385.457 0.703 20 0 GCADHM CCc1nnc2n1CCN([C@@H]1CCN(c3sccc3-c3nn[n-]n3)C1=O)C2 ZINC000821554966 606320607 /nfs/dbraw/zinc/32/06/07/606320607.db2.gz WMJQAKVPCFGYHR-LLVKDONJSA-N -1 3 385.457 0.703 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](Cn2cncn2)C1 ZINC000821652424 606321094 /nfs/dbraw/zinc/32/10/94/606321094.db2.gz RXAJETZOPRTUOD-GJZGRUSLSA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](Cn2cncn2)C1 ZINC000821652424 606321096 /nfs/dbraw/zinc/32/10/96/606321096.db2.gz RXAJETZOPRTUOD-GJZGRUSLSA-N -1 3 384.400 0.073 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000821651921 606321161 /nfs/dbraw/zinc/32/11/61/606321161.db2.gz JCRWBMYWVCOBMH-CVEARBPZSA-N -1 3 383.412 0.678 20 0 GCADHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000821651921 606321163 /nfs/dbraw/zinc/32/11/63/606321163.db2.gz JCRWBMYWVCOBMH-CVEARBPZSA-N -1 3 383.412 0.678 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCc2nnc(N(C)C)cc2C1 ZINC000821652040 606321253 /nfs/dbraw/zinc/32/12/53/606321253.db2.gz LARPKSFEJGPHGC-QGZVFWFLSA-N -1 3 394.439 0.995 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCc2nnc(N(C)C)cc2C1 ZINC000821652040 606321254 /nfs/dbraw/zinc/32/12/54/606321254.db2.gz LARPKSFEJGPHGC-QGZVFWFLSA-N -1 3 394.439 0.995 20 0 GCADHM COCCN1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C[C@@H]1C ZINC000821691338 606321482 /nfs/dbraw/zinc/32/14/82/606321482.db2.gz QUBCJNWEDLLZEC-JSGCOSHPSA-N -1 3 391.501 0.686 20 0 GCADHM COCCN1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C[C@@H]1C ZINC000821691338 606321483 /nfs/dbraw/zinc/32/14/83/606321483.db2.gz QUBCJNWEDLLZEC-JSGCOSHPSA-N -1 3 391.501 0.686 20 0 GCADHM COCCN1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C[C@@H]1C ZINC000821691337 606321571 /nfs/dbraw/zinc/32/15/71/606321571.db2.gz QUBCJNWEDLLZEC-GXTWGEPZSA-N -1 3 391.501 0.686 20 0 GCADHM COCCN1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C[C@@H]1C ZINC000821691337 606321572 /nfs/dbraw/zinc/32/15/72/606321572.db2.gz 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O=C1[C@@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823505186 606331577 /nfs/dbraw/zinc/33/15/77/606331577.db2.gz YQONUBWIVYLZSB-OCCSQVGLSA-N -1 3 389.485 0.440 20 0 GCADHM O=C1[C@@H](N2CC[C@@H](N3CCOCC3)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823505186 606331579 /nfs/dbraw/zinc/33/15/79/606331579.db2.gz YQONUBWIVYLZSB-OCCSQVGLSA-N -1 3 389.485 0.440 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@@H](C(=O)OC)c1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821568250 606331719 /nfs/dbraw/zinc/33/17/19/606331719.db2.gz NKPDCKPBZAELBJ-QGZVFWFLSA-N -1 3 395.423 0.716 20 0 GCADHM CCn1nc2c(cc1=O)CN([C@@H](C(=O)OC)c1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821568250 606331721 /nfs/dbraw/zinc/33/17/21/606331721.db2.gz NKPDCKPBZAELBJ-QGZVFWFLSA-N -1 3 395.423 0.716 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821636599 606332105 /nfs/dbraw/zinc/33/21/05/606332105.db2.gz WBRQOFYDQDVDIO-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821636599 606332107 /nfs/dbraw/zinc/33/21/07/606332107.db2.gz WBRQOFYDQDVDIO-UONOGXRCSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000821649948 606334393 /nfs/dbraw/zinc/33/43/93/606334393.db2.gz HDGQMHAVUDWXFO-COXVUDFISA-N -1 3 386.456 0.733 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000821652804 606336340 /nfs/dbraw/zinc/33/63/40/606336340.db2.gz ZYYCHQSWXFPQQQ-JKSUJKDBSA-N -1 3 383.412 0.888 20 0 GCADHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000821652804 606336341 /nfs/dbraw/zinc/33/63/41/606336341.db2.gz ZYYCHQSWXFPQQQ-JKSUJKDBSA-N -1 3 383.412 0.888 20 0 GCADHM O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823551462 606339840 /nfs/dbraw/zinc/33/98/40/606339840.db2.gz RLVHZAROWJYHMO-VIFPVBQESA-N -1 3 377.304 0.479 20 0 GCADHM O=C1OCC[C@@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823551462 606339842 /nfs/dbraw/zinc/33/98/42/606339842.db2.gz RLVHZAROWJYHMO-VIFPVBQESA-N -1 3 377.304 0.479 20 0 GCADHM CS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821926267 606342006 /nfs/dbraw/zinc/34/20/06/606342006.db2.gz DGZUUIOJEMBASB-UHFFFAOYSA-N -1 3 399.376 0.208 20 0 GCADHM CS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821926267 606342007 /nfs/dbraw/zinc/34/20/07/606342007.db2.gz DGZUUIOJEMBASB-UHFFFAOYSA-N -1 3 399.376 0.208 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(N)=O ZINC000820027916 606342131 /nfs/dbraw/zinc/34/21/31/606342131.db2.gz VORVDGBITYKAOM-JTQLQIEISA-N -1 3 392.363 0.674 20 0 GCADHM CC(C)[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(N)=O ZINC000820027916 606342133 /nfs/dbraw/zinc/34/21/33/606342133.db2.gz VORVDGBITYKAOM-JTQLQIEISA-N -1 3 392.363 0.674 20 0 GCADHM C[S@](=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821942149 606343459 /nfs/dbraw/zinc/34/34/59/606343459.db2.gz LRJXSRHNPNZVJA-QHCPKHFHSA-N -1 3 383.377 0.542 20 0 GCADHM C[S@](=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821942149 606343460 /nfs/dbraw/zinc/34/34/60/606343460.db2.gz LRJXSRHNPNZVJA-QHCPKHFHSA-N -1 3 383.377 0.542 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819802808 606347008 /nfs/dbraw/zinc/34/70/08/606347008.db2.gz JSLDHGFPUFFZTB-NHYWBVRUSA-N -1 3 386.412 0.598 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819802808 606347010 /nfs/dbraw/zinc/34/70/10/606347010.db2.gz JSLDHGFPUFFZTB-NHYWBVRUSA-N -1 3 386.412 0.598 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3-c3nnn[n-]3)C2=O)cn1 ZINC000822679343 606351400 /nfs/dbraw/zinc/35/14/00/606351400.db2.gz BPNXDZKLQFOGGU-CYBMUJFWSA-N -1 3 385.363 0.666 20 0 GCADHM Cn1cc(N2CC[C@@H](NC(=O)Nc3ccc(F)cc3-c3nn[n-]n3)C2=O)cn1 ZINC000822679343 606351401 /nfs/dbraw/zinc/35/14/01/606351401.db2.gz BPNXDZKLQFOGGU-CYBMUJFWSA-N -1 3 385.363 0.666 20 0 GCADHM COC(=O)[C@H](OC(=O)CCN1C(=O)CCC1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821646298 606367222 /nfs/dbraw/zinc/36/72/22/606367222.db2.gz GETWZCQINGBSHV-OAHLLOKOSA-N -1 3 387.352 0.163 20 0 GCADHM COC(=O)[C@H](OC(=O)CCN1C(=O)CCC1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821646298 606367223 /nfs/dbraw/zinc/36/72/23/606367223.db2.gz GETWZCQINGBSHV-OAHLLOKOSA-N -1 3 387.352 0.163 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000821646908 606368360 /nfs/dbraw/zinc/36/83/60/606368360.db2.gz QLDNVTMKUMADAC-IINYFYTJSA-N -1 3 392.393 0.572 20 0 GCADHM COC(=O)[C@H](OC(=O)C[C@@H]1C=CS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000821646908 606368361 /nfs/dbraw/zinc/36/83/61/606368361.db2.gz QLDNVTMKUMADAC-IINYFYTJSA-N -1 3 392.393 0.572 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)cc1 ZINC000822880527 606368771 /nfs/dbraw/zinc/36/87/71/606368771.db2.gz QTEOEWMWPOVOPU-GFCCVEGCSA-N -1 3 398.404 0.989 20 0 GCADHM NC(=O)c1ccc(C(=O)O[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)cc1 ZINC000822880527 606368772 /nfs/dbraw/zinc/36/87/72/606368772.db2.gz QTEOEWMWPOVOPU-GFCCVEGCSA-N -1 3 398.404 0.989 20 0 GCADHM COC(=O)[C@H](OC(=O)CCCNC(=O)C1CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000821646734 606369870 /nfs/dbraw/zinc/36/98/70/606369870.db2.gz NKSHSNSLWZQLNH-OAHLLOKOSA-N -1 3 387.396 0.930 20 0 GCADHM COC(=O)[C@H](OC(=O)CCCNC(=O)C1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000821646734 606369873 /nfs/dbraw/zinc/36/98/73/606369873.db2.gz NKSHSNSLWZQLNH-OAHLLOKOSA-N -1 3 387.396 0.930 20 0 GCADHM NC(=O)c1cccc(C(=O)O[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c1 ZINC000822889940 606370608 /nfs/dbraw/zinc/37/06/08/606370608.db2.gz IOLOQPZKCJDEGB-LBPRGKRZSA-N -1 3 398.404 0.989 20 0 GCADHM NC(=O)c1cccc(C(=O)O[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c1 ZINC000822889940 606370609 /nfs/dbraw/zinc/37/06/09/606370609.db2.gz IOLOQPZKCJDEGB-LBPRGKRZSA-N -1 3 398.404 0.989 20 0 GCADHM COC(=O)[C@@H](OC(=O)CS(=O)(=O)CC(C)C)c1cccc(-c2nnn[n-]2)c1 ZINC000821646275 606371054 /nfs/dbraw/zinc/37/10/54/606371054.db2.gz 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CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000819818852 606389620 /nfs/dbraw/zinc/38/96/20/606389620.db2.gz WJEJOTRTBAVEDX-UHFFFAOYSA-N -1 3 383.368 0.959 20 0 GCADHM CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000819818852 606389622 /nfs/dbraw/zinc/38/96/22/606389622.db2.gz WJEJOTRTBAVEDX-UHFFFAOYSA-N -1 3 383.368 0.959 20 0 GCADHM Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000822463392 606392291 /nfs/dbraw/zinc/39/22/91/606392291.db2.gz PVLHTEYDVJLKCC-GFCCVEGCSA-N -1 3 383.420 0.408 20 0 GCADHM Cc1nc2n(n1)CCC[C@H]2NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000822463392 606392293 /nfs/dbraw/zinc/39/22/93/606392293.db2.gz PVLHTEYDVJLKCC-GFCCVEGCSA-N -1 3 383.420 0.408 20 0 GCADHM O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823182201 606394230 /nfs/dbraw/zinc/39/42/30/606394230.db2.gz JGOWOPOOMRIOCH-LLVKDONJSA-N -1 3 398.354 0.901 20 0 GCADHM O=C(NC[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823182201 606394232 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O=C(NC[C@H](CO)Cc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823160702 606395393 /nfs/dbraw/zinc/39/53/93/606395393.db2.gz FOFLCJNCJUJOJO-CYBMUJFWSA-N -1 3 398.398 0.912 20 0 GCADHM O=C(NCCOCC(F)(F)F)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823206930 606395875 /nfs/dbraw/zinc/39/58/75/606395875.db2.gz YNSOWNWXGSGLSM-UHFFFAOYSA-N -1 3 376.270 0.639 20 0 GCADHM O=C(NCCOCC(F)(F)F)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823206930 606395876 /nfs/dbraw/zinc/39/58/76/606395876.db2.gz YNSOWNWXGSGLSM-UHFFFAOYSA-N -1 3 376.270 0.639 20 0 GCADHM CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821592394 606396388 /nfs/dbraw/zinc/39/63/88/606396388.db2.gz DMMKVSCJESVPQB-UHFFFAOYSA-N -1 3 377.380 0.317 20 0 GCADHM CN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821592394 606396389 /nfs/dbraw/zinc/39/63/89/606396389.db2.gz DMMKVSCJESVPQB-UHFFFAOYSA-N -1 3 377.380 0.317 20 0 GCADHM CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820875481 606396480 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382.384 0.980 20 0 GCADHM O=C(CN1CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1)N1CCCC1 ZINC000822997375 606534696 /nfs/dbraw/zinc/53/46/96/606534696.db2.gz QBZSKDYDKQIFNC-UHFFFAOYSA-N -1 3 389.485 0.699 20 0 GCADHM O=C(CN1CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1)N1CCCC1 ZINC000822997375 606534698 /nfs/dbraw/zinc/53/46/98/606534698.db2.gz QBZSKDYDKQIFNC-UHFFFAOYSA-N -1 3 389.485 0.699 20 0 GCADHM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000820875890 606535117 /nfs/dbraw/zinc/53/51/17/606535117.db2.gz HZDPSEBDRNABEK-NSHDSACASA-N -1 3 377.474 0.601 20 0 GCADHM CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000820875890 606535119 /nfs/dbraw/zinc/53/51/19/606535119.db2.gz HZDPSEBDRNABEK-NSHDSACASA-N -1 3 377.474 0.601 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)cs1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000823472365 606536377 /nfs/dbraw/zinc/53/63/77/606536377.db2.gz JMZOGVIGYWKNCO-NSHDSACASA-N -1 3 376.442 0.639 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000823472365 606536379 /nfs/dbraw/zinc/53/63/79/606536379.db2.gz JMZOGVIGYWKNCO-NSHDSACASA-N -1 3 376.442 0.639 20 0 GCADHM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1cc(-c2nnn[n-]2)cs1 ZINC000823171521 606538562 /nfs/dbraw/zinc/53/85/62/606538562.db2.gz XANLSZYHSRUISZ-HNNXBMFYSA-N -1 3 380.499 0.866 20 0 GCADHM O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823171521 606538563 /nfs/dbraw/zinc/53/85/63/606538563.db2.gz XANLSZYHSRUISZ-HNNXBMFYSA-N -1 3 380.499 0.866 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820752661 606541130 /nfs/dbraw/zinc/54/11/30/606541130.db2.gz PKJCTDOXYYPXOI-OCCSQVGLSA-N -1 3 391.501 0.405 20 0 GCADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820752661 606541131 /nfs/dbraw/zinc/54/11/31/606541131.db2.gz PKJCTDOXYYPXOI-OCCSQVGLSA-N -1 3 391.501 0.405 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CC(N)=O)C1CCOCC1 ZINC000820542604 606546822 /nfs/dbraw/zinc/54/68/22/606546822.db2.gz OYHZZSKRRHVYJA-SMDDNHRTSA-N -1 3 388.428 0.421 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CC(N)=O)C1CCOCC1 ZINC000820542604 606546824 /nfs/dbraw/zinc/54/68/24/606546824.db2.gz OYHZZSKRRHVYJA-SMDDNHRTSA-N -1 3 388.428 0.421 20 0 GCADHM CC[C@@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOCC1 ZINC000820915333 606549241 /nfs/dbraw/zinc/54/92/41/606549241.db2.gz VKCLMLNKRRZQHF-CQSZACIVSA-N -1 3 390.469 0.712 20 0 GCADHM CC[C@@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC000820915333 606549243 /nfs/dbraw/zinc/54/92/43/606549243.db2.gz VKCLMLNKRRZQHF-CQSZACIVSA-N -1 3 390.469 0.712 20 0 GCADHM CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCOCC1 ZINC000820915310 606549418 /nfs/dbraw/zinc/54/94/18/606549418.db2.gz VERRUWPPBFEQCH-GXTWGEPZSA-N -1 3 388.428 0.388 20 0 GCADHM CC[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCOCC1 ZINC000820915310 606549420 /nfs/dbraw/zinc/54/94/20/606549420.db2.gz VERRUWPPBFEQCH-GXTWGEPZSA-N -1 3 388.428 0.388 20 0 GCADHM CC(=O)N1CCN([C@@H]2CN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)C[C@@H]2C)CC1 ZINC000819796790 606550590 /nfs/dbraw/zinc/55/05/90/606550590.db2.gz PEMGDEHKIADYBG-KBXCAEBGSA-N -1 3 397.483 0.420 20 0 GCADHM COC(=O)C[C@@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821659321 606551445 /nfs/dbraw/zinc/55/14/45/606551445.db2.gz ZFHAYQYNBCBWAV-CQSZACIVSA-N -1 3 391.453 0.890 20 0 GCADHM COC(=O)C[C@@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821659321 606551446 /nfs/dbraw/zinc/55/14/46/606551446.db2.gz ZFHAYQYNBCBWAV-CQSZACIVSA-N -1 3 391.453 0.890 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820752383 606553222 /nfs/dbraw/zinc/55/32/22/606553222.db2.gz MOVICNJMOVBCFJ-CHWSQXEVSA-N -1 3 391.501 0.405 20 0 GCADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820752383 606553223 /nfs/dbraw/zinc/55/32/23/606553223.db2.gz MOVICNJMOVBCFJ-CHWSQXEVSA-N -1 3 391.501 0.405 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820752386 606553269 /nfs/dbraw/zinc/55/32/69/606553269.db2.gz MOVICNJMOVBCFJ-STQMWFEESA-N -1 3 391.501 0.405 20 0 GCADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820752386 606553270 /nfs/dbraw/zinc/55/32/70/606553270.db2.gz MOVICNJMOVBCFJ-STQMWFEESA-N -1 3 391.501 0.405 20 0 GCADHM NC(=O)c1cccnc1N1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000822890523 606555954 /nfs/dbraw/zinc/55/59/54/606555954.db2.gz WHYAFXZYYYELKG-UHFFFAOYSA-N -1 3 384.425 0.385 20 0 GCADHM NC(=O)c1cccnc1N1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000822890523 606555956 /nfs/dbraw/zinc/55/59/56/606555956.db2.gz WHYAFXZYYYELKG-UHFFFAOYSA-N -1 3 384.425 0.385 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@H](NC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822890181 606559141 /nfs/dbraw/zinc/55/91/41/606559141.db2.gz OLRDQQSDKNTUJS-HNNXBMFYSA-N -1 3 391.435 0.903 20 0 GCADHM NC(=O)c1ccccc1N1CC[C@H](NC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822890181 606559142 /nfs/dbraw/zinc/55/91/42/606559142.db2.gz OLRDQQSDKNTUJS-HNNXBMFYSA-N -1 3 391.435 0.903 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000820506984 606561757 /nfs/dbraw/zinc/56/17/57/606561757.db2.gz FEWQWORGGHHWLQ-IUCAKERBSA-N -1 3 378.414 0.197 20 0 GCADHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000820506984 606561759 /nfs/dbraw/zinc/56/17/59/606561759.db2.gz FEWQWORGGHHWLQ-IUCAKERBSA-N -1 3 378.414 0.197 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822895779 606565821 /nfs/dbraw/zinc/56/58/21/606565821.db2.gz XOJMTYKTVVMVFB-UHFFFAOYSA-N -1 3 390.400 0.512 20 0 GCADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822895779 606565822 /nfs/dbraw/zinc/56/58/22/606565822.db2.gz XOJMTYKTVVMVFB-UHFFFAOYSA-N -1 3 390.400 0.512 20 0 GCADHM CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821164335 606567080 /nfs/dbraw/zinc/56/70/80/606567080.db2.gz CGMBRQATEAVFDG-UHFFFAOYSA-N -1 3 380.430 0.458 20 0 GCADHM CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821164335 606567082 /nfs/dbraw/zinc/56/70/82/606567082.db2.gz CGMBRQATEAVFDG-UHFFFAOYSA-N -1 3 380.430 0.458 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000821655451 606569052 /nfs/dbraw/zinc/56/90/52/606569052.db2.gz LNLXAGCEZSIOBG-SECBINFHSA-N -1 3 393.425 0.885 20 0 GCADHM COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000821655451 606569054 /nfs/dbraw/zinc/56/90/54/606569054.db2.gz LNLXAGCEZSIOBG-SECBINFHSA-N -1 3 393.425 0.885 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCCN1C(=S)N=NC1C ZINC000821763414 606576443 /nfs/dbraw/zinc/57/64/43/606576443.db2.gz YDGCIRJDQNXLEF-UHFFFAOYSA-N -1 3 375.418 0.886 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCCN1C(=S)N=NC1C ZINC000821763414 606576444 /nfs/dbraw/zinc/57/64/44/606576444.db2.gz YDGCIRJDQNXLEF-UHFFFAOYSA-N -1 3 375.418 0.886 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)cs2)C1=O ZINC000821620342 606579269 /nfs/dbraw/zinc/57/92/69/606579269.db2.gz GOHJJSHAGFABFY-VFZGTOFNSA-N -1 3 375.414 0.379 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)cs2)C1=O ZINC000821620342 606579270 /nfs/dbraw/zinc/57/92/70/606579270.db2.gz GOHJJSHAGFABFY-VFZGTOFNSA-N -1 3 375.414 0.379 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)cs2)C1=O ZINC000821620340 606579399 /nfs/dbraw/zinc/57/93/99/606579399.db2.gz GOHJJSHAGFABFY-PSLIRLAXSA-N -1 3 375.414 0.379 20 0 GCADHM CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)cs2)C1=O ZINC000821620340 606579401 /nfs/dbraw/zinc/57/94/01/606579401.db2.gz GOHJJSHAGFABFY-PSLIRLAXSA-N -1 3 375.414 0.379 20 0 GCADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCOCC1 ZINC000820920066 606579423 /nfs/dbraw/zinc/57/94/23/606579423.db2.gz KAHRAPJESOHYMB-GFCCVEGCSA-N -1 3 377.380 0.765 20 0 GCADHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCOCC1 ZINC000820920066 606579425 /nfs/dbraw/zinc/57/94/25/606579425.db2.gz KAHRAPJESOHYMB-GFCCVEGCSA-N -1 3 377.380 0.765 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000821400193 606581000 /nfs/dbraw/zinc/58/10/00/606581000.db2.gz GIWGOYRLXKOPMD-LLVKDONJSA-N -1 3 397.399 0.447 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000821400193 606581002 /nfs/dbraw/zinc/58/10/02/606581002.db2.gz GIWGOYRLXKOPMD-LLVKDONJSA-N -1 3 397.399 0.447 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000823331968 606581718 /nfs/dbraw/zinc/58/17/18/606581718.db2.gz JJWBJVHUNGNNBY-LLVKDONJSA-N -1 3 387.791 0.701 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000823331968 606581719 /nfs/dbraw/zinc/58/17/19/606581719.db2.gz JJWBJVHUNGNNBY-LLVKDONJSA-N -1 3 387.791 0.701 20 0 GCADHM C[C@@H](C(=O)n1ncc(-c2nnn[n-]2)c1N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000819884208 606583412 /nfs/dbraw/zinc/58/34/12/606583412.db2.gz UGXCMSCXOCRCRX-SECBINFHSA-N -1 3 390.429 0.340 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000820769249 606584376 /nfs/dbraw/zinc/58/43/76/606584376.db2.gz RVJQTYBOQDUEQZ-BXUZGUMPSA-N -1 3 393.473 0.065 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000820769553 606584399 /nfs/dbraw/zinc/58/43/99/606584399.db2.gz VKFOFWFZJVIXRK-ZXCURVTESA-N -1 3 390.469 0.666 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000820769553 606584400 /nfs/dbraw/zinc/58/44/00/606584400.db2.gz VKFOFWFZJVIXRK-ZXCURVTESA-N -1 3 390.469 0.666 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000820768247 606584449 /nfs/dbraw/zinc/58/44/49/606584449.db2.gz LXODZZNFGVRFQN-IUODEOHRSA-N -1 3 392.485 0.586 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000820768247 606584451 /nfs/dbraw/zinc/58/44/51/606584451.db2.gz LXODZZNFGVRFQN-IUODEOHRSA-N -1 3 392.485 0.586 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820768044 606584693 /nfs/dbraw/zinc/58/46/93/606584693.db2.gz LINFJYGBMSIJNM-BXUZGUMPSA-N -1 3 378.458 0.195 20 0 GCADHM C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820768044 606584694 /nfs/dbraw/zinc/58/46/94/606584694.db2.gz LINFJYGBMSIJNM-BXUZGUMPSA-N -1 3 378.458 0.195 20 0 GCADHM COC[C@@](C)(CC(=O)OC)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821680316 606585482 /nfs/dbraw/zinc/58/54/82/606585482.db2.gz GCGXFLHEMWKUOG-APPDUMDISA-N -1 3 377.401 0.718 20 0 GCADHM COC[C@](C)(CC(=O)OC)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821680317 606585571 /nfs/dbraw/zinc/58/55/71/606585571.db2.gz GCGXFLHEMWKUOG-DIFFPNOSSA-N -1 3 377.401 0.718 20 0 GCADHM COC[C@](C)(CC(=O)OC)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821680196 606585744 /nfs/dbraw/zinc/58/57/44/606585744.db2.gz BPHGINOQQUHAGX-DIFFPNOSSA-N -1 3 377.401 0.718 20 0 GCADHM COC[C@](C)(CC(=O)OC)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821680196 606585745 /nfs/dbraw/zinc/58/57/45/606585745.db2.gz BPHGINOQQUHAGX-DIFFPNOSSA-N -1 3 377.401 0.718 20 0 GCADHM CN(CCN1CCCS1(=O)=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821601713 606586205 /nfs/dbraw/zinc/58/62/05/606586205.db2.gz WEAWJEONXCWDLY-UHFFFAOYSA-N -1 3 397.436 0.183 20 0 GCADHM CN(CCN1CCCS1(=O)=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821601713 606586206 /nfs/dbraw/zinc/58/62/06/606586206.db2.gz WEAWJEONXCWDLY-UHFFFAOYSA-N -1 3 397.436 0.183 20 0 GCADHM COC(=O)C[C@H]1CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821658913 606587090 /nfs/dbraw/zinc/58/70/90/606587090.db2.gz MHFQDLDNZZQXPC-AWEZNQCLSA-N -1 3 390.400 0.219 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000821636032 606590189 /nfs/dbraw/zinc/59/01/89/606590189.db2.gz BYNPKTSUVPAYGZ-VXGBXAGGSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000821636032 606590192 /nfs/dbraw/zinc/59/01/92/606590192.db2.gz BYNPKTSUVPAYGZ-VXGBXAGGSA-N -1 3 394.457 0.174 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000821636197 606590347 /nfs/dbraw/zinc/59/03/47/606590347.db2.gz JBVCCTLNIKVFAG-GFCCVEGCSA-N -1 3 396.498 0.499 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000821636197 606590348 /nfs/dbraw/zinc/59/03/48/606590348.db2.gz JBVCCTLNIKVFAG-GFCCVEGCSA-N -1 3 396.498 0.499 20 0 GCADHM COC(=O)CC1(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000821659284 606590430 /nfs/dbraw/zinc/59/04/30/606590430.db2.gz YDHQHEWNYBJQPF-LBPRGKRZSA-N -1 3 389.412 0.863 20 0 GCADHM COC(=O)c1ccc(=O)n(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)n1 ZINC000821668803 606591236 /nfs/dbraw/zinc/59/12/36/606591236.db2.gz JQCVKKVJZVJBHH-UHFFFAOYSA-N -1 3 378.295 0.860 20 0 GCADHM COC(=O)c1ccc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)n1 ZINC000821668803 606591237 /nfs/dbraw/zinc/59/12/37/606591237.db2.gz JQCVKKVJZVJBHH-UHFFFAOYSA-N -1 3 378.295 0.860 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820293197 606592630 /nfs/dbraw/zinc/59/26/30/606592630.db2.gz ILAHXRMURQJHQJ-LBPRGKRZSA-N -1 3 392.485 0.632 20 0 GCADHM C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820293197 606592632 /nfs/dbraw/zinc/59/26/32/606592632.db2.gz ILAHXRMURQJHQJ-LBPRGKRZSA-N -1 3 392.485 0.632 20 0 GCADHM Cn1cc(C(=O)NC2CCN(c3ccccc3-c3nnn[n-]3)CC2)ccc1=O ZINC000822669900 606595003 /nfs/dbraw/zinc/59/50/03/606595003.db2.gz UCIUYAAPLYCRGL-UHFFFAOYSA-N -1 3 379.424 0.964 20 0 GCADHM Cn1cc(C(=O)NC2CCN(c3ccccc3-c3nn[n-]n3)CC2)ccc1=O ZINC000822669900 606595006 /nfs/dbraw/zinc/59/50/06/606595006.db2.gz UCIUYAAPLYCRGL-UHFFFAOYSA-N -1 3 379.424 0.964 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821636530 606600126 /nfs/dbraw/zinc/60/01/26/606600126.db2.gz TXYKTKCHYKDLRT-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821636530 606600127 /nfs/dbraw/zinc/60/01/27/606600127.db2.gz TXYKTKCHYKDLRT-ZDUSSCGKSA-N -1 3 379.446 0.090 20 0 GCADHM Cc1cc(O)cc(=O)n1CCC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822210967 606600264 /nfs/dbraw/zinc/60/02/64/606600264.db2.gz YVRNUXRRFXYKGC-UHFFFAOYSA-N -1 3 398.379 0.614 20 0 GCADHM Cc1cc(O)cc(=O)n1CCC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822210967 606600266 /nfs/dbraw/zinc/60/02/66/606600266.db2.gz YVRNUXRRFXYKGC-UHFFFAOYSA-N -1 3 398.379 0.614 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821636179 606600478 /nfs/dbraw/zinc/60/04/78/606600478.db2.gz IEKKEZMZVCUXTG-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821636179 606600479 /nfs/dbraw/zinc/60/04/79/606600479.db2.gz IEKKEZMZVCUXTG-CYBMUJFWSA-N -1 3 379.446 0.090 20 0 GCADHM CN(C[C@@H]1CCOC1)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821597800 606601915 /nfs/dbraw/zinc/60/19/15/606601915.db2.gz HXDJCWREECLDEA-ZDUSSCGKSA-N -1 3 386.460 0.908 20 0 GCADHM CN(C[C@@H]1CCOC1)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821597800 606601916 /nfs/dbraw/zinc/60/19/16/606601916.db2.gz HXDJCWREECLDEA-ZDUSSCGKSA-N -1 3 386.460 0.908 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636237 606602009 /nfs/dbraw/zinc/60/20/09/606602009.db2.gz KODLIXLOFHZUIJ-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636237 606602011 /nfs/dbraw/zinc/60/20/11/606602011.db2.gz KODLIXLOFHZUIJ-FZMZJTMJSA-N -1 3 393.473 0.651 20 0 GCADHM O=C(CCOC1CCOCC1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822968888 606602895 /nfs/dbraw/zinc/60/28/95/606602895.db2.gz DLAFCURYUPLRAA-UHFFFAOYSA-N -1 3 387.444 0.496 20 0 GCADHM O=C(CCOC1CCOCC1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822968888 606602896 /nfs/dbraw/zinc/60/28/96/606602896.db2.gz DLAFCURYUPLRAA-UHFFFAOYSA-N -1 3 387.444 0.496 20 0 GCADHM CCCCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821055534 606603601 /nfs/dbraw/zinc/60/36/01/606603601.db2.gz BYZMSIFOFBFPMC-UHFFFAOYSA-N -1 3 383.416 0.751 20 0 GCADHM CCCCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821055534 606603602 /nfs/dbraw/zinc/60/36/02/606603602.db2.gz BYZMSIFOFBFPMC-UHFFFAOYSA-N -1 3 383.416 0.751 20 0 GCADHM CC(C)(C)CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819914104 606604359 /nfs/dbraw/zinc/60/43/59/606604359.db2.gz LOMNDIMIWQJBKN-UHFFFAOYSA-N -1 3 383.416 0.607 20 0 GCADHM CC(C)(C)CNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819914104 606604361 /nfs/dbraw/zinc/60/43/61/606604361.db2.gz LOMNDIMIWQJBKN-UHFFFAOYSA-N -1 3 383.416 0.607 20 0 GCADHM CC[C@@H](C)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820876737 606604823 /nfs/dbraw/zinc/60/48/23/606604823.db2.gz TWLVNDJOMODFLE-LLVKDONJSA-N -1 3 383.416 0.702 20 0 GCADHM CC[C@@H](C)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820876737 606604825 /nfs/dbraw/zinc/60/48/25/606604825.db2.gz TWLVNDJOMODFLE-LLVKDONJSA-N -1 3 383.416 0.702 20 0 GCADHM C[C@H](C1CC1)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820220466 606604879 /nfs/dbraw/zinc/60/48/79/606604879.db2.gz VOGDAYYOIKPDQI-LLVKDONJSA-N -1 3 395.427 0.702 20 0 GCADHM C[C@H](C1CC1)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820220466 606604881 /nfs/dbraw/zinc/60/48/81/606604881.db2.gz VOGDAYYOIKPDQI-LLVKDONJSA-N -1 3 395.427 0.702 20 0 GCADHM CCN(CC1CC1)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821197132 606604885 /nfs/dbraw/zinc/60/48/85/606604885.db2.gz GORVCYBKKYDZGG-UHFFFAOYSA-N -1 3 395.427 0.704 20 0 GCADHM CCN(CC1CC1)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821197132 606604886 /nfs/dbraw/zinc/60/48/86/606604886.db2.gz GORVCYBKKYDZGG-UHFFFAOYSA-N -1 3 395.427 0.704 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)C(C)C ZINC000820914217 606604922 /nfs/dbraw/zinc/60/49/22/606604922.db2.gz MQOOMMVHLZRSFF-AWEZNQCLSA-N -1 3 397.443 0.996 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)C(C)C ZINC000820914217 606604923 /nfs/dbraw/zinc/60/49/23/606604923.db2.gz MQOOMMVHLZRSFF-AWEZNQCLSA-N -1 3 397.443 0.996 20 0 GCADHM C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820697980 606605162 /nfs/dbraw/zinc/60/51/62/606605162.db2.gz OPYYBXULPWZMJZ-FZMZJTMJSA-N -1 3 395.427 0.750 20 0 GCADHM C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820697980 606605164 /nfs/dbraw/zinc/60/51/64/606605164.db2.gz OPYYBXULPWZMJZ-FZMZJTMJSA-N -1 3 395.427 0.750 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820307176 606606463 /nfs/dbraw/zinc/60/64/63/606606463.db2.gz KBGQSHVWWMBCDG-MRVPVSSYSA-N -1 3 375.780 0.255 20 0 GCADHM C[C@H](Cn1cncn1)NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820307176 606606464 /nfs/dbraw/zinc/60/64/64/606606464.db2.gz KBGQSHVWWMBCDG-MRVPVSSYSA-N -1 3 375.780 0.255 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CO)CC(C)C ZINC000821401714 606606600 /nfs/dbraw/zinc/60/66/00/606606600.db2.gz ZKVDNGSJZONNFO-LBPRGKRZSA-N -1 3 376.417 0.727 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CO)CC(C)C ZINC000821401714 606606601 /nfs/dbraw/zinc/60/66/01/606606601.db2.gz ZKVDNGSJZONNFO-LBPRGKRZSA-N -1 3 376.417 0.727 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000821756444 606606856 /nfs/dbraw/zinc/60/68/56/606606856.db2.gz OYKYUDBCOAQZON-GFCCVEGCSA-N -1 3 396.411 0.943 20 0 GCADHM Cc1noc(C2CCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000822527759 606607506 /nfs/dbraw/zinc/60/75/06/606607506.db2.gz COAFMKRORGBJAG-UHFFFAOYSA-N -1 3 382.384 0.903 20 0 GCADHM Cc1noc(C2CCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)n1 ZINC000822527759 606607508 /nfs/dbraw/zinc/60/75/08/606607508.db2.gz COAFMKRORGBJAG-UHFFFAOYSA-N -1 3 382.384 0.903 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000823308829 606608728 /nfs/dbraw/zinc/60/87/28/606608728.db2.gz KKKBODSZQBUNPM-GFCCVEGCSA-N -1 3 385.409 0.862 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000823308829 606608730 /nfs/dbraw/zinc/60/87/30/606608730.db2.gz KKKBODSZQBUNPM-GFCCVEGCSA-N -1 3 385.409 0.862 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000821757410 606609842 /nfs/dbraw/zinc/60/98/42/606609842.db2.gz WZHFJVYRGWKQGD-CYBMUJFWSA-N -1 3 396.411 0.874 20 0 GCADHM CC[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCN1C[C@@H](C)O ZINC000820989688 606610042 /nfs/dbraw/zinc/61/00/42/606610042.db2.gz YWODHZBWHMVRAQ-DOMZBBRYSA-N -1 3 387.444 0.109 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000822860100 606610388 /nfs/dbraw/zinc/61/03/88/606610388.db2.gz NEQJVFJHCGBCFA-UHFFFAOYSA-N -1 3 375.364 0.105 20 0 GCADHM NC(=O)C1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822860100 606610390 /nfs/dbraw/zinc/61/03/90/606610390.db2.gz NEQJVFJHCGBCFA-UHFFFAOYSA-N -1 3 375.364 0.105 20 0 GCADHM C[C@@H](CCO)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000820248654 606610951 /nfs/dbraw/zinc/61/09/51/606610951.db2.gz LZENGLSDRZJYBQ-NSHDSACASA-N -1 3 397.395 0.880 20 0 GCADHM C[C@@H](CCO)NC(=O)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000820248654 606610953 /nfs/dbraw/zinc/61/09/53/606610953.db2.gz LZENGLSDRZJYBQ-NSHDSACASA-N -1 3 397.395 0.880 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000821400206 606611520 /nfs/dbraw/zinc/61/15/20/606611520.db2.gz GXYXCHLXDICGBG-NSHDSACASA-N -1 3 399.411 0.083 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000821400206 606611521 /nfs/dbraw/zinc/61/15/21/606611521.db2.gz GXYXCHLXDICGBG-NSHDSACASA-N -1 3 399.411 0.083 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000821400205 606611526 /nfs/dbraw/zinc/61/15/26/606611526.db2.gz GXYXCHLXDICGBG-LLVKDONJSA-N -1 3 399.411 0.083 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000821400205 606611527 /nfs/dbraw/zinc/61/15/27/606611527.db2.gz GXYXCHLXDICGBG-LLVKDONJSA-N -1 3 399.411 0.083 20 0 GCADHM CN1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1=O ZINC000821625428 606611779 /nfs/dbraw/zinc/61/17/79/606611779.db2.gz NLSXGFZDYJHUAD-UHFFFAOYSA-N -1 3 397.317 0.125 20 0 GCADHM CN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1=O ZINC000821625428 606611780 /nfs/dbraw/zinc/61/17/80/606611780.db2.gz NLSXGFZDYJHUAD-UHFFFAOYSA-N -1 3 397.317 0.125 20 0 GCADHM CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000820907430 606612892 /nfs/dbraw/zinc/61/28/92/606612892.db2.gz CVJXRGKVORUIIK-AWEZNQCLSA-N -1 3 387.444 0.029 20 0 GCADHM CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821950557 606613355 /nfs/dbraw/zinc/61/33/55/606613355.db2.gz OQOMJFXOODDMNT-WRWORJQWSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821950557 606613356 /nfs/dbraw/zinc/61/33/56/606613356.db2.gz OQOMJFXOODDMNT-WRWORJQWSA-N -1 3 384.849 0.687 20 0 GCADHM CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821956084 606613445 /nfs/dbraw/zinc/61/34/45/606613445.db2.gz GZEFFNPIJOYXON-VIFPVBQESA-N -1 3 384.849 0.689 20 0 GCADHM CSC[C@H](CCO)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821956084 606613446 /nfs/dbraw/zinc/61/34/46/606613446.db2.gz GZEFFNPIJOYXON-VIFPVBQESA-N -1 3 384.849 0.689 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821862414 606613536 /nfs/dbraw/zinc/61/35/36/606613536.db2.gz AVYJDLANLUDWFZ-OAHLLOKOSA-N -1 3 382.380 0.664 20 0 GCADHM COc1cccc([C@@H](CO)NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821862414 606613538 /nfs/dbraw/zinc/61/35/38/606613538.db2.gz AVYJDLANLUDWFZ-OAHLLOKOSA-N -1 3 382.380 0.664 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000819922555 606613929 /nfs/dbraw/zinc/61/39/29/606613929.db2.gz LVXOBEXHMUTPNG-LBPRGKRZSA-N -1 3 386.412 0.995 20 0 GCADHM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000819922555 606613930 /nfs/dbraw/zinc/61/39/30/606613930.db2.gz LVXOBEXHMUTPNG-LBPRGKRZSA-N -1 3 386.412 0.995 20 0 GCADHM CC[C@@H](C[C@@H](C)CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC 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ZINC000820286284 606635773 /nfs/dbraw/zinc/63/57/73/606635773.db2.gz ADEYPRKNDCGNEI-MWLCHTKSSA-N -1 3 378.364 0.255 20 0 GCADHM CCN(C(=O)CNc1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821155446 606638719 /nfs/dbraw/zinc/63/87/19/606638719.db2.gz ZGJNBFUOWWJDHT-NSHDSACASA-N -1 3 382.421 0.453 20 0 GCADHM CCN(C(=O)CNc1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000821155446 606638720 /nfs/dbraw/zinc/63/87/20/606638720.db2.gz ZGJNBFUOWWJDHT-NSHDSACASA-N -1 3 382.421 0.453 20 0 GCADHM COC(=O)[C@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821665947 606638786 /nfs/dbraw/zinc/63/87/86/606638786.db2.gz MRCAXLUDLOACHW-LURJTMIESA-N -1 3 390.219 0.469 20 0 GCADHM COC(=O)[C@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821665947 606638787 /nfs/dbraw/zinc/63/87/87/606638787.db2.gz MRCAXLUDLOACHW-LURJTMIESA-N -1 3 390.219 0.469 20 0 GCADHM CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821630305 606639522 /nfs/dbraw/zinc/63/95/22/606639522.db2.gz SMYVCLWFUKIPOT-ZCFIWIBFSA-N -1 3 389.235 0.042 20 0 GCADHM CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821630305 606639523 /nfs/dbraw/zinc/63/95/23/606639523.db2.gz SMYVCLWFUKIPOT-ZCFIWIBFSA-N -1 3 389.235 0.042 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)C2)no1 ZINC000822441395 606641084 /nfs/dbraw/zinc/64/10/84/606641084.db2.gz YQHUWWIQQHGEPD-HNNXBMFYSA-N -1 3 397.443 0.974 20 0 GCADHM Cc1nc(CN(C)[C@H]2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)C2)no1 ZINC000822441395 606641085 /nfs/dbraw/zinc/64/10/85/606641085.db2.gz YQHUWWIQQHGEPD-HNNXBMFYSA-N -1 3 397.443 0.974 20 0 GCADHM Cc1nc(CN(C)[C@@H]2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)C2)no1 ZINC000822439926 606641226 /nfs/dbraw/zinc/64/12/26/606641226.db2.gz GDXYYRFDPPOZBI-CQSZACIVSA-N -1 3 398.427 0.670 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1nnc2n1CCC2 ZINC000821604741 606646584 /nfs/dbraw/zinc/64/65/84/606646584.db2.gz DDPZBHDWRWKDRN-UHFFFAOYSA-N -1 3 388.457 0.310 20 0 GCADHM CN(CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1nnc2n1CCC2 ZINC000821604741 606646585 /nfs/dbraw/zinc/64/65/85/606646585.db2.gz DDPZBHDWRWKDRN-UHFFFAOYSA-N -1 3 388.457 0.310 20 0 GCADHM CCN(CC)C(=O)CCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000821175254 606665345 /nfs/dbraw/zinc/66/53/45/606665345.db2.gz JDJVMRVHTGSTNT-UHFFFAOYSA-N -1 3 386.460 0.559 20 0 GCADHM CCN(CC)C(=O)CCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000821175254 606665346 /nfs/dbraw/zinc/66/53/46/606665346.db2.gz JDJVMRVHTGSTNT-UHFFFAOYSA-N -1 3 386.460 0.559 20 0 GCADHM CCOC(=O)C(NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)OCC ZINC000821320500 606667828 /nfs/dbraw/zinc/66/78/28/606667828.db2.gz NUVYAJZWTGODIQ-UHFFFAOYSA-N -1 3 383.311 0.370 20 0 GCADHM CCOC(=O)C(NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)OCC ZINC000821320500 606667829 /nfs/dbraw/zinc/66/78/29/606667829.db2.gz NUVYAJZWTGODIQ-UHFFFAOYSA-N -1 3 383.311 0.370 20 0 GCADHM COCC(=O)NC1CCN(C(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000821680712 606670820 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0.765 20 0 GCADHM Cn1cc(CN2CCN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cn1 ZINC000822681539 606681927 /nfs/dbraw/zinc/68/19/27/606681927.db2.gz XLLHEJSVRZTRQC-UHFFFAOYSA-N -1 3 388.382 0.836 20 0 GCADHM Cn1cc(CN2CCN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cn1 ZINC000822681539 606681928 /nfs/dbraw/zinc/68/19/28/606681928.db2.gz XLLHEJSVRZTRQC-UHFFFAOYSA-N -1 3 388.382 0.836 20 0 GCADHM COC(=O)CC1(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC000821658772 606686076 /nfs/dbraw/zinc/68/60/76/606686076.db2.gz HWUGLMPXWWCIEG-UHFFFAOYSA-N -1 3 381.339 0.987 20 0 GCADHM COC(=O)CC1(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000821658772 606686077 /nfs/dbraw/zinc/68/60/77/606686077.db2.gz HWUGLMPXWWCIEG-UHFFFAOYSA-N -1 3 381.339 0.987 20 0 GCADHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000822645572 606692281 /nfs/dbraw/zinc/69/22/81/606692281.db2.gz FJVFAKMOLOBFKV-UHFFFAOYSA-N -1 3 378.190 0.919 20 0 GCADHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000822645572 606692282 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COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000821696372 606716549 /nfs/dbraw/zinc/71/65/49/606716549.db2.gz ANDSMOFTBLLUIG-DZGCQCFKSA-N -1 3 398.427 0.943 20 0 GCADHM COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000821696372 606716551 /nfs/dbraw/zinc/71/65/51/606716551.db2.gz ANDSMOFTBLLUIG-DZGCQCFKSA-N -1 3 398.427 0.943 20 0 GCADHM O=S(=O)(CC[C@H]1CCCO1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823556868 606731741 /nfs/dbraw/zinc/73/17/41/606731741.db2.gz BADZRUYIPJRQOB-CYBMUJFWSA-N -1 3 393.473 0.283 20 0 GCADHM O=S(=O)(CC[C@H]1CCCO1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823556868 606731743 /nfs/dbraw/zinc/73/17/43/606731743.db2.gz BADZRUYIPJRQOB-CYBMUJFWSA-N -1 3 393.473 0.283 20 0 GCADHM O=S(=O)(CC[C@@H]1CCCO1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823557860 606733550 /nfs/dbraw/zinc/73/35/50/606733550.db2.gz SZRIWVCATYDAGF-AWEZNQCLSA-N -1 3 392.485 0.888 20 0 GCADHM O=S(=O)(CC[C@@H]1CCCO1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823557860 606733552 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CC(=O)NC1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000819802539 606737233 /nfs/dbraw/zinc/73/72/33/606737233.db2.gz DZWYNMRIEHGIJA-UHFFFAOYSA-N -1 3 391.819 0.586 20 0 GCADHM CC(=O)NC1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000819802539 606737234 /nfs/dbraw/zinc/73/72/34/606737234.db2.gz DZWYNMRIEHGIJA-UHFFFAOYSA-N -1 3 391.819 0.586 20 0 GCADHM COC(=O)CCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000821660384 606737708 /nfs/dbraw/zinc/73/77/08/606737708.db2.gz PGIHOIUXUSUTSJ-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM COC(=O)CCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000821660384 606737710 /nfs/dbraw/zinc/73/77/10/606737710.db2.gz PGIHOIUXUSUTSJ-UHFFFAOYSA-N -1 3 380.792 0.918 20 0 GCADHM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nnn[n-]3)C[C@@H]21 ZINC000821628990 606737762 /nfs/dbraw/zinc/73/77/62/606737762.db2.gz WANMMJVFTPZIMO-NWDGAFQWSA-N -1 3 384.849 0.224 20 0 GCADHM CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000821284540 606737968 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O=C(NCC[C@H](O)C(F)(F)F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000823182527 606740349 /nfs/dbraw/zinc/74/03/49/606740349.db2.gz LQQTWOWHOATMQO-VIFPVBQESA-N -1 3 392.725 0.888 20 0 GCADHM O=C(NCC[C@H](O)C(F)(F)F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000823182527 606740351 /nfs/dbraw/zinc/74/03/51/606740351.db2.gz LQQTWOWHOATMQO-VIFPVBQESA-N -1 3 392.725 0.888 20 0 GCADHM COC[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CCO1 ZINC000821684496 606741557 /nfs/dbraw/zinc/74/15/57/606741557.db2.gz BIQTXMUFHSXRBV-JTQLQIEISA-N -1 3 380.792 0.332 20 0 GCADHM COC[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CCO1 ZINC000821684496 606741559 /nfs/dbraw/zinc/74/15/59/606741559.db2.gz BIQTXMUFHSXRBV-JTQLQIEISA-N -1 3 380.792 0.332 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC000799788180 606743909 /nfs/dbraw/zinc/74/39/09/606743909.db2.gz HUQMEVFMWVYACI-KCJUWKMLSA-N -1 3 385.833 0.950 20 0 GCADHM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC000799788180 606743911 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20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821509682 606749211 /nfs/dbraw/zinc/74/92/11/606749211.db2.gz LCLRUXQMUYTUKH-GFCCVEGCSA-N -1 3 395.427 0.919 20 0 GCADHM CCc1nc2n(n1)CCC[C@H]2NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821509682 606749212 /nfs/dbraw/zinc/74/92/12/606749212.db2.gz LCLRUXQMUYTUKH-GFCCVEGCSA-N -1 3 395.427 0.919 20 0 GCADHM CS(=O)(=O)C1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821919434 606753903 /nfs/dbraw/zinc/75/39/03/606753903.db2.gz BKERXGDPOIBDPP-CYBMUJFWSA-N -1 3 381.458 0.115 20 0 GCADHM C[C@@H](OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)NC[C@@H]1CCCO1 ZINC000820500700 606754604 /nfs/dbraw/zinc/75/46/04/606754604.db2.gz GAIWLTNEDZUCPM-SCZZXKLOSA-N -1 3 381.339 0.985 20 0 GCADHM C[C@@H](OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)NC[C@@H]1CCCO1 ZINC000820500700 606754605 /nfs/dbraw/zinc/75/46/05/606754605.db2.gz GAIWLTNEDZUCPM-SCZZXKLOSA-N -1 3 381.339 0.985 20 0 GCADHM CCOC(=O)CCCNC(=O)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F 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PCVDTMAAAJWSNR-STQMWFEESA-N -1 3 391.819 0.000 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)C[C@@H]21 ZINC000821628745 606762827 /nfs/dbraw/zinc/76/28/27/606762827.db2.gz PCVDTMAAAJWSNR-STQMWFEESA-N -1 3 391.819 0.000 20 0 GCADHM O=C1C[C@H](N2CCO[C@H]([C@@H]3CCCO3)C2)C(=O)N1c1ccc(-c2nnn[n-]2)cc1 ZINC000823521585 606762923 /nfs/dbraw/zinc/76/29/23/606762923.db2.gz XMFMUESGIAFZLX-JYJNAYRXSA-N -1 3 398.423 0.378 20 0 GCADHM O=C1C[C@H](N2CCO[C@H]([C@@H]3CCCO3)C2)C(=O)N1c1ccc(-c2nn[n-]n2)cc1 ZINC000823521585 606762925 /nfs/dbraw/zinc/76/29/25/606762925.db2.gz XMFMUESGIAFZLX-JYJNAYRXSA-N -1 3 398.423 0.378 20 0 GCADHM CCOC(=O)CN1CCC[C@@H](OC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821330834 606762958 /nfs/dbraw/zinc/76/29/58/606762958.db2.gz UGTWGHJURWJTQA-OAHLLOKOSA-N -1 3 389.412 0.816 20 0 GCADHM CCOC(=O)CN1CCC[C@@H](OC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821330834 606762959 /nfs/dbraw/zinc/76/29/59/606762959.db2.gz UGTWGHJURWJTQA-OAHLLOKOSA-N -1 3 389.412 0.816 20 0 GCADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823697884 606764089 /nfs/dbraw/zinc/76/40/89/606764089.db2.gz OHGNKUSARQBPPT-XIRDDKMYSA-N -1 3 375.429 0.486 20 0 GCADHM O[C@H](COc1ccc(-c2nn[n-]n2)cc1)CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823697881 606764237 /nfs/dbraw/zinc/76/42/37/606764237.db2.gz OHGNKUSARQBPPT-BHYGNILZSA-N -1 3 375.429 0.486 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)C[C@H]21 ZINC000821629053 606766461 /nfs/dbraw/zinc/76/64/61/606766461.db2.gz XNSZUTIECDFOGV-OLZOCXBDSA-N -1 3 391.819 0.000 20 0 GCADHM CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)C[C@H]21 ZINC000821629053 606766462 /nfs/dbraw/zinc/76/64/62/606766462.db2.gz XNSZUTIECDFOGV-OLZOCXBDSA-N -1 3 391.819 0.000 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CO)c1ccccc1 ZINC000821757086 606766608 /nfs/dbraw/zinc/76/66/08/606766608.db2.gz UXILWCYQNRRLHV-AWEZNQCLSA-N -1 3 382.380 0.664 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CO)c1ccccc1 ZINC000821757086 606766610 /nfs/dbraw/zinc/76/66/10/606766610.db2.gz UXILWCYQNRRLHV-AWEZNQCLSA-N -1 3 382.380 0.664 20 0 GCADHM Cc1nnc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)C2)[nH]1 ZINC000822436507 606766751 /nfs/dbraw/zinc/76/67/51/606766751.db2.gz NXWQYCIUPCWNSE-SNVBAGLBSA-N -1 3 399.390 0.777 20 0 GCADHM Cc1nnc([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)C2)[nH]1 ZINC000822436507 606766753 /nfs/dbraw/zinc/76/67/53/606766753.db2.gz NXWQYCIUPCWNSE-SNVBAGLBSA-N -1 3 399.390 0.777 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822669769 606766934 /nfs/dbraw/zinc/76/69/34/606766934.db2.gz OQLSADWGQUORLR-SFHVURJKSA-N -1 3 383.412 0.753 20 0 GCADHM O=C1C[C@@]2(CCOC2)CN1CN1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823525829 606768473 /nfs/dbraw/zinc/76/84/73/606768473.db2.gz UQRAFWCMBPKDLP-FQEVSTJZSA-N -1 3 397.483 0.975 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000822669475 606768543 /nfs/dbraw/zinc/76/85/43/606768543.db2.gz KNRVPDHRLKYZOS-SFHVURJKSA-N -1 3 396.411 0.313 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000822669475 606768544 /nfs/dbraw/zinc/76/85/44/606768544.db2.gz KNRVPDHRLKYZOS-SFHVURJKSA-N -1 3 396.411 0.313 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CC[C@]3(CCOC3)C2)C1=O ZINC000820633682 606769018 /nfs/dbraw/zinc/76/90/18/606769018.db2.gz CTAIQSDCMMZWRR-MOPGFXCFSA-N -1 3 397.439 0.704 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(CC(=O)NC)CC1 ZINC000821407008 606770125 /nfs/dbraw/zinc/77/01/25/606770125.db2.gz NJZGOULKVSMJCZ-UHFFFAOYSA-N -1 3 388.432 0.161 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(CC(=O)NC)CC1 ZINC000821407008 606770127 /nfs/dbraw/zinc/77/01/27/606770127.db2.gz NJZGOULKVSMJCZ-UHFFFAOYSA-N -1 3 388.432 0.161 20 0 GCADHM O=C1[C@H](N2CCO[C@@H]([C@@H]3CCCO3)C2)CCN1c1sccc1-c1nnn[n-]1 ZINC000823505210 606771155 /nfs/dbraw/zinc/77/11/55/606771155.db2.gz ZELLKVRDNOOUIV-HZSPNIEDSA-N -1 3 390.469 0.913 20 0 GCADHM O=C1[C@H](N2CCO[C@@H]([C@@H]3CCCO3)C2)CCN1c1sccc1-c1nn[n-]n1 ZINC000823505210 606771156 /nfs/dbraw/zinc/77/11/56/606771156.db2.gz ZELLKVRDNOOUIV-HZSPNIEDSA-N -1 3 390.469 0.913 20 0 GCADHM NC(=O)C[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000822864971 606773035 /nfs/dbraw/zinc/77/30/35/606773035.db2.gz QXPKAPXRYHPHLK-ZDUSSCGKSA-N -1 3 377.380 0.798 20 0 GCADHM NC(=O)C[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000822864971 606773036 /nfs/dbraw/zinc/77/30/36/606773036.db2.gz QXPKAPXRYHPHLK-ZDUSSCGKSA-N -1 3 377.380 0.798 20 0 GCADHM NC(=O)COCCNC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000822869457 606773847 /nfs/dbraw/zinc/77/38/47/606773847.db2.gz VZHLGQRAUIVPHI-UHFFFAOYSA-N -1 3 386.368 0.270 20 0 GCADHM NC(=O)COCCNC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000822869457 606773849 /nfs/dbraw/zinc/77/38/49/606773849.db2.gz VZHLGQRAUIVPHI-UHFFFAOYSA-N -1 3 386.368 0.270 20 0 GCADHM COc1ncncc1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821920411 606774241 /nfs/dbraw/zinc/77/42/41/606774241.db2.gz RAWZIXFTPCBZLJ-UHFFFAOYSA-N -1 3 382.388 0.414 20 0 GCADHM COc1ncncc1NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821920411 606774242 /nfs/dbraw/zinc/77/42/42/606774242.db2.gz RAWZIXFTPCBZLJ-UHFFFAOYSA-N -1 3 382.388 0.414 20 0 GCADHM COC(=O)[C@@H](Nc1cnc(OC)c(C(N)=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644501 606776305 /nfs/dbraw/zinc/77/63/05/606776305.db2.gz BCPBEGKZNWWYCE-ZDUSSCGKSA-N -1 3 383.368 0.695 20 0 GCADHM COC(=O)[C@@H](Nc1cnc(OC)c(C(N)=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644501 606776306 /nfs/dbraw/zinc/77/63/06/606776306.db2.gz BCPBEGKZNWWYCE-ZDUSSCGKSA-N -1 3 383.368 0.695 20 0 GCADHM COc1ncc(N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cc1C(N)=O ZINC000821920724 606777134 /nfs/dbraw/zinc/77/71/34/606777134.db2.gz XLOSLHPEKISQRL-CQSZACIVSA-N -1 3 394.395 0.587 20 0 GCADHM COc1ncc(N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cc1C(N)=O ZINC000821920724 606777135 /nfs/dbraw/zinc/77/71/35/606777135.db2.gz XLOSLHPEKISQRL-CQSZACIVSA-N -1 3 394.395 0.587 20 0 GCADHM NC(=O)[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822851755 606779547 /nfs/dbraw/zinc/77/95/47/606779547.db2.gz ZVOZNCQGMWPHCO-CVEARBPZSA-N -1 3 383.456 0.774 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821592886 606784604 /nfs/dbraw/zinc/78/46/04/606784604.db2.gz ZZTOYNZZKKWDOO-UHFFFAOYSA-N -1 3 394.819 0.216 20 0 GCADHM CN(CC(=O)N1CCOCC1)C(=O)COc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821592886 606784605 /nfs/dbraw/zinc/78/46/05/606784605.db2.gz ZZTOYNZZKKWDOO-UHFFFAOYSA-N -1 3 394.819 0.216 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000823192202 606789861 /nfs/dbraw/zinc/78/98/61/606789861.db2.gz SKPLQONGNRTUEB-CYBMUJFWSA-N -1 3 376.421 0.168 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000823192202 606789863 /nfs/dbraw/zinc/78/98/63/606789863.db2.gz SKPLQONGNRTUEB-CYBMUJFWSA-N -1 3 376.421 0.168 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823201193 606789896 /nfs/dbraw/zinc/78/98/96/606789896.db2.gz CMLHCKFYYOVZON-KBPBESRZSA-N -1 3 388.432 0.263 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000823201193 606789899 /nfs/dbraw/zinc/78/98/99/606789899.db2.gz CMLHCKFYYOVZON-KBPBESRZSA-N -1 3 388.432 0.263 20 0 GCADHM CCc1cc(CNC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)[nH]n1 ZINC000821469252 606792304 /nfs/dbraw/zinc/79/23/04/606792304.db2.gz ADDDFAHRBPYVCM-NSHDSACASA-N -1 3 397.447 0.363 20 0 GCADHM CCc1cc(CNC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)[nH]n1 ZINC000821469252 606792306 /nfs/dbraw/zinc/79/23/06/606792306.db2.gz ADDDFAHRBPYVCM-NSHDSACASA-N -1 3 397.447 0.363 20 0 GCADHM CC1(C)CN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CCS1(=O)=O ZINC000820601631 606794393 /nfs/dbraw/zinc/79/43/93/606794393.db2.gz PYHJCDGAPQIMET-UHFFFAOYSA-N -1 3 382.421 0.724 20 0 GCADHM CC1(C)CN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CCS1(=O)=O ZINC000820601631 606794395 /nfs/dbraw/zinc/79/43/95/606794395.db2.gz PYHJCDGAPQIMET-UHFFFAOYSA-N -1 3 382.421 0.724 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821919570 606794934 /nfs/dbraw/zinc/79/49/34/606794934.db2.gz CZDNUSAPQPHPSH-LMVHVUTASA-N -1 3 379.467 0.826 20 0 GCADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821919570 606794936 /nfs/dbraw/zinc/79/49/36/606794936.db2.gz CZDNUSAPQPHPSH-LMVHVUTASA-N -1 3 379.467 0.826 20 0 GCADHM Cn1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)cc1C(N)=O ZINC000822685081 606795700 /nfs/dbraw/zinc/79/57/00/606795700.db2.gz RPPRMSXULHZOBE-UHFFFAOYSA-N -1 3 382.789 0.725 20 0 GCADHM Cn1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)cc1C(N)=O ZINC000822685081 606795702 /nfs/dbraw/zinc/79/57/02/606795702.db2.gz RPPRMSXULHZOBE-UHFFFAOYSA-N -1 3 382.789 0.725 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)C1CCOCC1 ZINC000820351298 606799506 /nfs/dbraw/zinc/79/95/06/606799506.db2.gz OHEXLAABYYNPHW-ZDUSSCGKSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)C1CCOCC1 ZINC000820351298 606799507 /nfs/dbraw/zinc/79/95/07/606799507.db2.gz OHEXLAABYYNPHW-ZDUSSCGKSA-N -1 3 386.460 0.908 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000820837037 606801023 /nfs/dbraw/zinc/80/10/23/606801023.db2.gz GRJBHJHTPBIROD-CQSZACIVSA-N -1 3 399.459 0.104 20 0 GCADHM CCC(=O)N1CC[C@@H](NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000820837037 606801024 /nfs/dbraw/zinc/80/10/24/606801024.db2.gz GRJBHJHTPBIROD-CQSZACIVSA-N -1 3 399.459 0.104 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1)[C@@H]1CCNC(=O)C1 ZINC000823519232 606808200 /nfs/dbraw/zinc/80/82/00/606808200.db2.gz FGLLAYGKVXWGCC-LLVKDONJSA-N -1 3 385.428 0.293 20 0 GCADHM O=C(Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1)[C@@H]1CCNC(=O)C1 ZINC000823519232 606808202 /nfs/dbraw/zinc/80/82/02/606808202.db2.gz FGLLAYGKVXWGCC-LLVKDONJSA-N -1 3 385.428 0.293 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820294896 606808713 /nfs/dbraw/zinc/80/87/13/606808713.db2.gz WKADTJFFPBAYBV-JTQLQIEISA-N -1 3 385.471 0.453 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820294896 606808715 /nfs/dbraw/zinc/80/87/15/606808715.db2.gz WKADTJFFPBAYBV-JTQLQIEISA-N -1 3 385.471 0.453 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820295088 606808758 /nfs/dbraw/zinc/80/87/58/606808758.db2.gz XTKWPRPRIPPQGM-NSHDSACASA-N -1 3 399.498 0.594 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820295088 606808760 /nfs/dbraw/zinc/80/87/60/606808760.db2.gz XTKWPRPRIPPQGM-NSHDSACASA-N -1 3 399.498 0.594 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000822145352 606809592 /nfs/dbraw/zinc/80/95/92/606809592.db2.gz QUAMTUUQCRGVAD-LLVKDONJSA-N -1 3 399.498 0.761 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000822145352 606809594 /nfs/dbraw/zinc/80/95/94/606809594.db2.gz QUAMTUUQCRGVAD-LLVKDONJSA-N -1 3 399.498 0.761 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823190687 606811713 /nfs/dbraw/zinc/81/17/13/606811713.db2.gz CLLNDSWCSHKGRT-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCCO[C@@H]1CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823190687 606811714 /nfs/dbraw/zinc/81/17/14/606811714.db2.gz CLLNDSWCSHKGRT-LLVKDONJSA-N -1 3 394.819 0.770 20 0 GCADHM O=C(N[C@H]1CC[S@](=O)C1)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000823154607 606811916 /nfs/dbraw/zinc/81/19/16/606811916.db2.gz HOGFAEOKHQPBJE-JWNZJDHWSA-N -1 3 393.448 0.358 20 0 GCADHM O=C(N[C@@H]1CC[S@](=O)C1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823154460 606811990 /nfs/dbraw/zinc/81/19/90/606811990.db2.gz BSXFANLCVZORCU-QWVSSGJLSA-N -1 3 389.485 0.609 20 0 GCADHM O=C(N[C@@H]1CC[S@](=O)C1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000823154460 606811992 /nfs/dbraw/zinc/81/19/92/606811992.db2.gz BSXFANLCVZORCU-QWVSSGJLSA-N -1 3 389.485 0.609 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823162674 606813211 /nfs/dbraw/zinc/81/32/11/606813211.db2.gz ZEDSTOGNFGUOQT-LSDHHAIUSA-N -1 3 386.412 0.003 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823162674 606813213 /nfs/dbraw/zinc/81/32/13/606813213.db2.gz ZEDSTOGNFGUOQT-LSDHHAIUSA-N -1 3 386.412 0.003 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000823253682 606814690 /nfs/dbraw/zinc/81/46/90/606814690.db2.gz KMLZNPUFMJEMDX-UHFFFAOYSA-N -1 3 376.327 0.583 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(CC(F)F)c1 ZINC000823253682 606814691 /nfs/dbraw/zinc/81/46/91/606814691.db2.gz KMLZNPUFMJEMDX-UHFFFAOYSA-N -1 3 376.327 0.583 20 0 GCADHM O=C(Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N1CC[C@H](CCO)C1 ZINC000823294540 606816152 /nfs/dbraw/zinc/81/61/52/606816152.db2.gz GEJHRMMSCIBOIB-SECBINFHSA-N -1 3 396.354 0.638 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N1CC[C@H](CCO)C1 ZINC000823294540 606816154 /nfs/dbraw/zinc/81/61/54/606816154.db2.gz GEJHRMMSCIBOIB-SECBINFHSA-N -1 3 396.354 0.638 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823359302 606818139 /nfs/dbraw/zinc/81/81/39/606818139.db2.gz LNUSWXAJRAAVTG-OAHLLOKOSA-N -1 3 397.439 0.713 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000823359302 606818140 /nfs/dbraw/zinc/81/81/40/606818140.db2.gz LNUSWXAJRAAVTG-OAHLLOKOSA-N -1 3 397.439 0.713 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821932455 606818941 /nfs/dbraw/zinc/81/89/41/606818941.db2.gz NECZVZRTMOYINO-OCCSQVGLSA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821932455 606818943 /nfs/dbraw/zinc/81/89/43/606818943.db2.gz NECZVZRTMOYINO-OCCSQVGLSA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821932358 606819032 /nfs/dbraw/zinc/81/90/32/606819032.db2.gz KYIZTEYOXKYYNV-KGLIPLIRSA-N -1 3 378.458 0.243 20 0 GCADHM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821932358 606819034 /nfs/dbraw/zinc/81/90/34/606819034.db2.gz KYIZTEYOXKYYNV-KGLIPLIRSA-N -1 3 378.458 0.243 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821932456 606819190 /nfs/dbraw/zinc/81/91/90/606819190.db2.gz NECZVZRTMOYINO-TZMCWYRMSA-N -1 3 394.457 0.080 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821932456 606819192 /nfs/dbraw/zinc/81/91/92/606819192.db2.gz NECZVZRTMOYINO-TZMCWYRMSA-N -1 3 394.457 0.080 20 0 GCADHM O=C(NCCc1ccncc1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823223578 606824547 /nfs/dbraw/zinc/82/45/47/606824547.db2.gz DXSGLDFHXMHKSU-UHFFFAOYSA-N -1 3 379.428 0.731 20 0 GCADHM O=C(NCCc1ccncc1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823223578 606824549 /nfs/dbraw/zinc/82/45/49/606824549.db2.gz DXSGLDFHXMHKSU-UHFFFAOYSA-N -1 3 379.428 0.731 20 0 GCADHM COc1ccc(Cl)cc1CNC(=O)Cn1nc(C)c(-c2nnn[n-]2)c1N ZINC000821824170 606825089 /nfs/dbraw/zinc/82/50/89/606825089.db2.gz JEDDPLIAMBKJQG-UHFFFAOYSA-N -1 3 376.808 0.932 20 0 GCADHM COc1ccc(Cl)cc1CNC(=O)Cn1nc(C)c(-c2nn[n-]n2)c1N ZINC000821824170 606825091 /nfs/dbraw/zinc/82/50/91/606825091.db2.gz JEDDPLIAMBKJQG-UHFFFAOYSA-N -1 3 376.808 0.932 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000821700769 606828634 /nfs/dbraw/zinc/82/86/34/606828634.db2.gz WZWBPMKKUZZUBC-UHFFFAOYSA-N -1 3 395.441 0.290 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000821700769 606828636 /nfs/dbraw/zinc/82/86/36/606828636.db2.gz WZWBPMKKUZZUBC-UHFFFAOYSA-N -1 3 395.441 0.290 20 0 GCADHM CC(=O)CCCCOC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000819783526 606829516 /nfs/dbraw/zinc/82/95/16/606829516.db2.gz YWCNFFCLUOUDHP-UHFFFAOYSA-N -1 3 381.414 0.448 20 0 GCADHM CC(=O)CCCCOC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000819783526 606829517 /nfs/dbraw/zinc/82/95/17/606829517.db2.gz YWCNFFCLUOUDHP-UHFFFAOYSA-N -1 3 381.414 0.448 20 0 GCADHM Cc1cc(=O)c(C(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)c[nH]1 ZINC000822160900 606830445 /nfs/dbraw/zinc/83/04/45/606830445.db2.gz LZBAZLULAREWIH-HNNXBMFYSA-N -1 3 380.364 0.826 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)nn1 ZINC000820499994 606831558 /nfs/dbraw/zinc/83/15/58/606831558.db2.gz BIHHQJOQPNFSSW-NXEZZACHSA-N -1 3 386.372 0.082 20 0 GCADHM C[C@@H](O)c1cn(CC(=O)O[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)nn1 ZINC000820499994 606831559 /nfs/dbraw/zinc/83/15/59/606831559.db2.gz BIHHQJOQPNFSSW-NXEZZACHSA-N -1 3 386.372 0.082 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000821284135 606831676 /nfs/dbraw/zinc/83/16/76/606831676.db2.gz BPZFVNWXIBTRFS-UHFFFAOYSA-N -1 3 379.446 0.211 20 0 GCADHM CCNC(=O)N1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000821284135 606831678 /nfs/dbraw/zinc/83/16/78/606831678.db2.gz BPZFVNWXIBTRFS-UHFFFAOYSA-N -1 3 379.446 0.211 20 0 GCADHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCC(OCCCO)CC1 ZINC000823211089 606835024 /nfs/dbraw/zinc/83/50/24/606835024.db2.gz LXJPTAUYUSDHAI-UHFFFAOYSA-N -1 3 390.444 0.819 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821931379 606836314 /nfs/dbraw/zinc/83/63/14/606836314.db2.gz CSCRMOCHAAMTOU-JOYOIKCWSA-N -1 3 397.436 0.845 20 0 GCADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821931379 606836316 /nfs/dbraw/zinc/83/63/16/606836316.db2.gz CSCRMOCHAAMTOU-JOYOIKCWSA-N -1 3 397.436 0.845 20 0 GCADHM CC(C)n1cc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000820211682 606837415 /nfs/dbraw/zinc/83/74/15/606837415.db2.gz URXTZLZQBTVNLV-UHFFFAOYSA-N -1 3 384.400 0.778 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823191355 606837859 /nfs/dbraw/zinc/83/78/59/606837859.db2.gz KGKUGXHRXZYTEE-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM O=C(NCCCO[C@H]1CCOC1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823191355 606837861 /nfs/dbraw/zinc/83/78/61/606837861.db2.gz KGKUGXHRXZYTEE-NSHDSACASA-N -1 3 394.819 0.770 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000821400777 606837953 /nfs/dbraw/zinc/83/79/53/606837953.db2.gz OJRMBNVKHKBXGB-SFHVURJKSA-N -1 3 386.412 0.843 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000821400777 606837955 /nfs/dbraw/zinc/83/79/55/606837955.db2.gz OJRMBNVKHKBXGB-SFHVURJKSA-N -1 3 386.412 0.843 20 0 GCADHM Cc1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1-c1nnn[n-]1 ZINC000822323426 606838250 /nfs/dbraw/zinc/83/82/50/606838250.db2.gz GQVFNUPRZHFCMM-UHFFFAOYSA-N -1 3 397.399 0.037 20 0 GCADHM Cc1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1-c1nn[n-]n1 ZINC000822323426 606838252 /nfs/dbraw/zinc/83/82/52/606838252.db2.gz GQVFNUPRZHFCMM-UHFFFAOYSA-N -1 3 397.399 0.037 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820736394 606838653 /nfs/dbraw/zinc/83/86/53/606838653.db2.gz ZBFUBRGMFRFLEU-ABAIWWIYSA-N -1 3 397.439 0.568 20 0 GCADHM C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820736394 606838656 /nfs/dbraw/zinc/83/86/56/606838656.db2.gz ZBFUBRGMFRFLEU-ABAIWWIYSA-N -1 3 397.439 0.568 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823600332 606846929 /nfs/dbraw/zinc/84/69/29/606846929.db2.gz GJEMGSFFBSIZGU-QWHCGFSZSA-N -1 3 383.405 0.574 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000823600332 606846930 /nfs/dbraw/zinc/84/69/30/606846930.db2.gz GJEMGSFFBSIZGU-QWHCGFSZSA-N -1 3 383.405 0.574 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000823601223 606847323 /nfs/dbraw/zinc/84/73/23/606847323.db2.gz WZRUEWILXKCNFT-KGLIPLIRSA-N -1 3 383.405 0.574 20 0 GCADHM O=S(=O)(c1ccc(F)c(-c2nnn[n-]2)c1)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000823601225 606847570 /nfs/dbraw/zinc/84/75/70/606847570.db2.gz WZRUEWILXKCNFT-ZIAGYGMSSA-N -1 3 383.405 0.574 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820733356 606847981 /nfs/dbraw/zinc/84/79/81/606847981.db2.gz FPCKOPXZYVHTIO-XHDPSFHLSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820733356 606847982 /nfs/dbraw/zinc/84/79/82/606847982.db2.gz FPCKOPXZYVHTIO-XHDPSFHLSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820734353 606848020 /nfs/dbraw/zinc/84/80/20/606848020.db2.gz LXEOCNXVMAZXLM-XHDPSFHLSA-N -1 3 390.469 0.792 20 0 GCADHM C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820734353 606848021 /nfs/dbraw/zinc/84/80/21/606848021.db2.gz LXEOCNXVMAZXLM-XHDPSFHLSA-N -1 3 390.469 0.792 20 0 GCADHM CC1(C)CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CCS1(=O)=O ZINC000820601722 606848064 /nfs/dbraw/zinc/84/80/64/606848064.db2.gz SNPFISAQWYHVOY-UHFFFAOYSA-N -1 3 389.434 0.204 20 0 GCADHM CC1(C)CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCS1(=O)=O ZINC000820601722 606848066 /nfs/dbraw/zinc/84/80/66/606848066.db2.gz SNPFISAQWYHVOY-UHFFFAOYSA-N -1 3 389.434 0.204 20 0 GCADHM C[C@@H](C(=O)NC1CC1)N1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819857312 606849959 /nfs/dbraw/zinc/84/99/59/606849959.db2.gz QXNSZJPENDMKOZ-GUYCJALGSA-N -1 3 385.472 0.185 20 0 GCADHM Cc1nnc(CN2CCN(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1C ZINC000822509628 606861364 /nfs/dbraw/zinc/86/13/64/606861364.db2.gz BUAJTGCEMZSUTR-INIZCTEOSA-N -1 3 383.460 0.155 20 0 GCADHM COCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)OC)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000821696587 606862954 /nfs/dbraw/zinc/86/29/54/606862954.db2.gz IQWXIFPIGJUWFH-XJKSGUPXSA-N -1 3 398.427 0.423 20 0 GCADHM COCc1nc2n(n1)C[C@@H](N[C@@H](C(=O)OC)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696587 606862955 /nfs/dbraw/zinc/86/29/55/606862955.db2.gz IQWXIFPIGJUWFH-XJKSGUPXSA-N -1 3 398.427 0.423 20 0 GCADHM COC(=O)c1cccc(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000821670031 606866282 /nfs/dbraw/zinc/86/62/82/606866282.db2.gz JTGRYEQVEQROJW-UHFFFAOYSA-N -1 3 396.411 0.960 20 0 GCADHM COC(=O)c1cccc(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000821670031 606866284 /nfs/dbraw/zinc/86/62/84/606866284.db2.gz JTGRYEQVEQROJW-UHFFFAOYSA-N -1 3 396.411 0.960 20 0 GCADHM Cc1noc(CCCN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)n1 ZINC000822528062 606867010 /nfs/dbraw/zinc/86/70/10/606867010.db2.gz RAOCPNLXLWFXOR-QGZVFWFLSA-N -1 3 382.384 0.958 20 0 GCADHM Cc1noc(CCCN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)n1 ZINC000822528062 606867011 /nfs/dbraw/zinc/86/70/11/606867011.db2.gz RAOCPNLXLWFXOR-QGZVFWFLSA-N -1 3 382.384 0.958 20 0 GCADHM O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823573099 606873860 /nfs/dbraw/zinc/87/38/60/606873860.db2.gz RSAVZWSGEMDYTQ-CVEARBPZSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823573099 606873861 /nfs/dbraw/zinc/87/38/61/606873861.db2.gz RSAVZWSGEMDYTQ-CVEARBPZSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823572610 606873971 /nfs/dbraw/zinc/87/39/71/606873971.db2.gz JLIDTWURKOREHT-HZPDHXFCSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@@H]1CCCC[C@H]1N1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823572610 606873973 /nfs/dbraw/zinc/87/39/73/606873973.db2.gz JLIDTWURKOREHT-HZPDHXFCSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823573183 606875859 /nfs/dbraw/zinc/87/58/59/606875859.db2.gz RSAVZWSGEMDYTQ-JKSUJKDBSA-N -1 3 392.485 0.788 20 0 GCADHM O=S(=O)(N[C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823573183 606875860 /nfs/dbraw/zinc/87/58/60/606875860.db2.gz RSAVZWSGEMDYTQ-JKSUJKDBSA-N -1 3 392.485 0.788 20 0 GCADHM C[C@H](CN1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1)CS(C)(=O)=O ZINC000820260241 606878705 /nfs/dbraw/zinc/87/87/05/606878705.db2.gz GKSHWDGKXINHAS-CQSZACIVSA-N -1 3 378.502 0.665 20 0 GCADHM C[C@H](CN1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)CS(C)(=O)=O ZINC000820260241 606878706 /nfs/dbraw/zinc/87/87/06/606878706.db2.gz GKSHWDGKXINHAS-CQSZACIVSA-N -1 3 378.502 0.665 20 0 GCADHM O=C1OC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3-c3nnn[n-]3)CCN12 ZINC000823551344 606878814 /nfs/dbraw/zinc/87/88/14/606878814.db2.gz NKWLJPJTRJMTHC-VIFPVBQESA-N -1 3 384.805 0.345 20 0 GCADHM CCCCNC(=O)CN1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821067124 606883355 /nfs/dbraw/zinc/88/33/55/606883355.db2.gz ZOJLATPKSSVSRU-KRWDZBQOSA-N -1 3 387.488 0.434 20 0 GCADHM COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821655267 606884658 /nfs/dbraw/zinc/88/46/58/606884658.db2.gz ILCGEGYYMZCDKP-NSHDSACASA-N -1 3 387.368 0.861 20 0 GCADHM COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821655267 606884660 /nfs/dbraw/zinc/88/46/60/606884660.db2.gz ILCGEGYYMZCDKP-NSHDSACASA-N -1 3 387.368 0.861 20 0 GCADHM COC(=O)CCCN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821660663 606886963 /nfs/dbraw/zinc/88/69/63/606886963.db2.gz ZDNQGVSAWSNWIV-UHFFFAOYSA-N -1 3 375.357 0.719 20 0 GCADHM COC(=O)CCCN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821660663 606886965 /nfs/dbraw/zinc/88/69/65/606886965.db2.gz ZDNQGVSAWSNWIV-UHFFFAOYSA-N -1 3 375.357 0.719 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000822153015 606898001 /nfs/dbraw/zinc/89/80/01/606898001.db2.gz KFXKFBFYLSSVDV-CHWSQXEVSA-N -1 3 378.458 0.888 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000822153015 606898002 /nfs/dbraw/zinc/89/80/02/606898002.db2.gz KFXKFBFYLSSVDV-CHWSQXEVSA-N -1 3 378.458 0.888 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822860423 606898102 /nfs/dbraw/zinc/89/81/02/606898102.db2.gz UNGRVPLZJSDAPS-KGLIPLIRSA-N -1 3 378.458 0.720 20 0 GCADHM NC(=O)[C@@H]1CCCCC[C@@H]1NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822860423 606898104 /nfs/dbraw/zinc/89/81/04/606898104.db2.gz UNGRVPLZJSDAPS-KGLIPLIRSA-N -1 3 378.458 0.720 20 0 GCADHM CCCN(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821088718 606902585 /nfs/dbraw/zinc/90/25/85/606902585.db2.gz TXIOVNKMXUCTEJ-CQSZACIVSA-N -1 3 378.458 0.704 20 0 GCADHM CCCN(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000821088718 606902586 /nfs/dbraw/zinc/90/25/86/606902586.db2.gz TXIOVNKMXUCTEJ-CQSZACIVSA-N -1 3 378.458 0.704 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)COc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000821696913 606904316 /nfs/dbraw/zinc/90/43/16/606904316.db2.gz UEYIKFBFOOGTSY-GFCCVEGCSA-N -1 3 384.400 0.115 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)COc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000821696913 606904317 /nfs/dbraw/zinc/90/43/17/606904317.db2.gz UEYIKFBFOOGTSY-GFCCVEGCSA-N -1 3 384.400 0.115 20 0 GCADHM COCc1nc2n(n1)C[C@H](NC(=O)COc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000821696527 606904320 /nfs/dbraw/zinc/90/43/20/606904320.db2.gz GYBNZNCWFNXXIZ-GFCCVEGCSA-N -1 3 384.400 0.115 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)CC2 ZINC000821696952 606904783 /nfs/dbraw/zinc/90/47/83/606904783.db2.gz VSMZYHLIIINYOM-NSHDSACASA-N -1 3 384.400 0.115 20 0 GCADHM COCc1nc2n(n1)C[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)CC2 ZINC000821696952 606904785 /nfs/dbraw/zinc/90/47/85/606904785.db2.gz VSMZYHLIIINYOM-NSHDSACASA-N -1 3 384.400 0.115 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc2nnnn2c1 ZINC000823154518 606906543 /nfs/dbraw/zinc/90/65/43/606906543.db2.gz DVSUHPAFGFLSMJ-UHFFFAOYSA-N -1 3 391.399 0.098 20 0 GCADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc2nnnn2c1 ZINC000823154518 606906546 /nfs/dbraw/zinc/90/65/46/606906546.db2.gz DVSUHPAFGFLSMJ-UHFFFAOYSA-N -1 3 391.399 0.098 20 0 GCADHM CCc1nnc(N2CCCN(S(C)(=O)=O)CC2)c(-c2nnn[n-]2)c1CC ZINC000821522156 606910359 /nfs/dbraw/zinc/91/03/59/606910359.db2.gz JYZLUILOZOUSEQ-UHFFFAOYSA-N -1 3 380.478 0.253 20 0 GCADHM CCc1nnc(N2CCCN(S(C)(=O)=O)CC2)c(-c2nn[n-]n2)c1CC ZINC000821522156 606910361 /nfs/dbraw/zinc/91/03/61/606910361.db2.gz JYZLUILOZOUSEQ-UHFFFAOYSA-N -1 3 380.478 0.253 20 0 GCADHM O=S1(=O)CCN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)[C@H]2CCCC[C@@H]21 ZINC000823614766 606912561 /nfs/dbraw/zinc/91/25/61/606912561.db2.gz SJVMMMCEHOMXPV-JYJNAYRXSA-N -1 3 377.470 0.942 20 0 GCADHM O=S1(=O)CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)[C@H]2CCCC[C@@H]21 ZINC000823614766 606912562 /nfs/dbraw/zinc/91/25/62/606912562.db2.gz SJVMMMCEHOMXPV-JYJNAYRXSA-N -1 3 377.470 0.942 20 0 GCADHM Cn1cccc1C(=O)CN1C(=O)N[C@@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000822688832 606914591 /nfs/dbraw/zinc/91/45/91/606914591.db2.gz ARGFWUBWSBUSMX-SFHVURJKSA-N -1 3 379.380 0.855 20 0 GCADHM Cn1cccc1C(=O)CN1C(=O)N[C@@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000822688832 606914592 /nfs/dbraw/zinc/91/45/92/606914592.db2.gz ARGFWUBWSBUSMX-SFHVURJKSA-N -1 3 379.380 0.855 20 0 GCADHM NC(=O)c1cc(CNC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)on1 ZINC000822879446 606916589 /nfs/dbraw/zinc/91/65/89/606916589.db2.gz BLGKWILVGLYWOQ-UHFFFAOYSA-N -1 3 385.384 0.819 20 0 GCADHM NC(=O)c1cc(CNC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)on1 ZINC000822879446 606916591 /nfs/dbraw/zinc/91/65/91/606916591.db2.gz BLGKWILVGLYWOQ-UHFFFAOYSA-N -1 3 385.384 0.819 20 0 GCADHM CCc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821523435 606921006 /nfs/dbraw/zinc/92/10/06/606921006.db2.gz WCNQGRQYNQYDET-NSHDSACASA-N -1 3 394.505 0.547 20 0 GCADHM CCc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821523435 606921007 /nfs/dbraw/zinc/92/10/07/606921007.db2.gz WCNQGRQYNQYDET-NSHDSACASA-N -1 3 394.505 0.547 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)OC[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000822542083 606935546 /nfs/dbraw/zinc/93/55/46/606935546.db2.gz URQMNFFKDKLBOJ-ONGXEEELSA-N -1 3 375.389 0.540 20 0 GCADHM CCc1nnc(N2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)c(-c2nnn[n-]2)c1CC ZINC000821522607 606941901 /nfs/dbraw/zinc/94/19/01/606941901.db2.gz MPFSKJXPHSLNTG-MLCYQJTMSA-N -1 3 399.459 0.596 20 0 GCADHM CCc1nnc(N2CCC[C@@H]([C@@]3(C)NC(=O)NC3=O)C2)c(-c2nn[n-]n2)c1CC ZINC000821522607 606941902 /nfs/dbraw/zinc/94/19/02/606941902.db2.gz MPFSKJXPHSLNTG-MLCYQJTMSA-N -1 3 399.459 0.596 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822369574 606956834 /nfs/dbraw/zinc/95/68/34/606956834.db2.gz KMQYSBPJGJKNPZ-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM Cc1ccn(C)c(=O)c1NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822369574 606956835 /nfs/dbraw/zinc/95/68/35/606956835.db2.gz KMQYSBPJGJKNPZ-UHFFFAOYSA-N -1 3 395.427 0.623 20 0 GCADHM C[C@H](CNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1)CC1(C)OCCO1 ZINC000820259631 606958702 /nfs/dbraw/zinc/95/87/02/606958702.db2.gz ANBCGASBASDBSH-LBPRGKRZSA-N -1 3 390.448 0.762 20 0 GCADHM C[C@H](CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)CC1(C)OCCO1 ZINC000820259631 606958703 /nfs/dbraw/zinc/95/87/03/606958703.db2.gz ANBCGASBASDBSH-LBPRGKRZSA-N -1 3 390.448 0.762 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000823358629 606965537 /nfs/dbraw/zinc/96/55/37/606965537.db2.gz CWOGPTHUUBCKPW-CVEARBPZSA-N -1 3 399.455 0.565 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000823358629 606965538 /nfs/dbraw/zinc/96/55/38/606965538.db2.gz CWOGPTHUUBCKPW-CVEARBPZSA-N -1 3 399.455 0.565 20 0 GCADHM CC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC000819796640 606965558 /nfs/dbraw/zinc/96/55/58/606965558.db2.gz MRLJVGLOVCGDGL-DYVFJYSZSA-N -1 3 383.456 0.915 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000823308494 606965572 /nfs/dbraw/zinc/96/55/72/606965572.db2.gz BVWUKGQRXXDVRC-HZPDHXFCSA-N -1 3 399.455 0.565 20 0 GCADHM CC[C@H](O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000820932216 606966335 /nfs/dbraw/zinc/96/63/35/606966335.db2.gz MQEASLWXDWYWFJ-LBPRGKRZSA-N -1 3 376.417 0.870 20 0 GCADHM CC[C@H](O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000820932216 606966336 /nfs/dbraw/zinc/96/63/36/606966336.db2.gz MQEASLWXDWYWFJ-LBPRGKRZSA-N -1 3 376.417 0.870 20 0 GCADHM CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000736590127 606974819 /nfs/dbraw/zinc/97/48/19/606974819.db2.gz FGSCAKLNWAZVOI-HIFRSBDPSA-N -1 3 398.423 0.774 20 0 GCADHM CCOC(=O)[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000736590127 606974822 /nfs/dbraw/zinc/97/48/22/606974822.db2.gz FGSCAKLNWAZVOI-HIFRSBDPSA-N -1 3 398.423 0.774 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820994493 606975031 /nfs/dbraw/zinc/97/50/31/606975031.db2.gz IVLPPMKDWUESBN-WCQYABFASA-N -1 3 395.489 0.763 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820994493 606975033 /nfs/dbraw/zinc/97/50/33/606975033.db2.gz IVLPPMKDWUESBN-WCQYABFASA-N -1 3 395.489 0.763 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCCCC1 ZINC000820444562 606976452 /nfs/dbraw/zinc/97/64/52/606976452.db2.gz KQEGCLZOCHCLDF-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCCCC1 ZINC000820444562 606976453 /nfs/dbraw/zinc/97/64/53/606976453.db2.gz KQEGCLZOCHCLDF-LLVKDONJSA-N -1 3 378.458 0.982 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000820705221 606976958 /nfs/dbraw/zinc/97/69/58/606976958.db2.gz SCSSHYJQDCHKCF-VXGBXAGGSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000820705221 606976960 /nfs/dbraw/zinc/97/69/60/606976960.db2.gz SCSSHYJQDCHKCF-VXGBXAGGSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccs1 ZINC000820444507 606979443 /nfs/dbraw/zinc/97/94/43/606979443.db2.gz JQDIVHMGYCEBCM-JTQLQIEISA-N -1 3 392.466 0.911 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccs1 ZINC000820444507 606979444 /nfs/dbraw/zinc/97/94/44/606979444.db2.gz JQDIVHMGYCEBCM-JTQLQIEISA-N -1 3 392.466 0.911 20 0 GCADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CCCCS(C)(=O)=O)C1=O ZINC000820636384 606979720 /nfs/dbraw/zinc/97/97/20/606979720.db2.gz SEXDGXYETGARRF-MRXNPFEDSA-N -1 3 392.441 0.459 20 0 GCADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CCCCS(C)(=O)=O)C1=O ZINC000820636384 606979722 /nfs/dbraw/zinc/97/97/22/606979722.db2.gz SEXDGXYETGARRF-MRXNPFEDSA-N -1 3 392.441 0.459 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccs1 ZINC000820444509 606979919 /nfs/dbraw/zinc/97/99/19/606979919.db2.gz JQDIVHMGYCEBCM-SNVBAGLBSA-N -1 3 392.466 0.911 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccs1 ZINC000820444509 606979921 /nfs/dbraw/zinc/97/99/21/606979921.db2.gz JQDIVHMGYCEBCM-SNVBAGLBSA-N -1 3 392.466 0.911 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccco1 ZINC000820449729 606984074 /nfs/dbraw/zinc/98/40/74/606984074.db2.gz BHIDKTPVJAJDGE-LLVKDONJSA-N -1 3 390.425 0.485 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccco1 ZINC000820449729 606984076 /nfs/dbraw/zinc/98/40/76/606984076.db2.gz BHIDKTPVJAJDGE-LLVKDONJSA-N -1 3 390.425 0.485 20 0 GCADHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000819991563 606984899 /nfs/dbraw/zinc/98/48/99/606984899.db2.gz IVJGGNVBIIOMQT-UHFFFAOYSA-N -1 3 394.457 0.128 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000819991563 606984901 /nfs/dbraw/zinc/98/49/01/606984901.db2.gz IVJGGNVBIIOMQT-UHFFFAOYSA-N -1 3 394.457 0.128 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCN(CC(N)=O)CC1 ZINC000819996256 606986705 /nfs/dbraw/zinc/98/67/05/606986705.db2.gz DDWFDQODAZHPDP-UHFFFAOYSA-N -1 3 387.444 0.090 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C1CC1)C1CC1 ZINC000820437637 606988574 /nfs/dbraw/zinc/98/85/74/606988574.db2.gz AVYNUYMAYNCESH-JTQLQIEISA-N -1 3 390.469 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C1CC1)C1CC1 ZINC000820437637 606988575 /nfs/dbraw/zinc/98/85/75/606988575.db2.gz AVYNUYMAYNCESH-JTQLQIEISA-N -1 3 390.469 0.838 20 0 GCADHM CC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000820987975 606990529 /nfs/dbraw/zinc/99/05/29/606990529.db2.gz CNFJLEHWGDVBCF-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000820987975 606990530 /nfs/dbraw/zinc/99/05/30/606990530.db2.gz CNFJLEHWGDVBCF-YPMHNXCESA-N -1 3 394.457 0.171 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822993706 606992556 /nfs/dbraw/zinc/99/25/56/606992556.db2.gz WFCJTPWKMFHLKF-UHFFFAOYSA-N -1 3 388.359 0.914 20 0 GCADHM O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822993706 606992557 /nfs/dbraw/zinc/99/25/57/606992557.db2.gz WFCJTPWKMFHLKF-UHFFFAOYSA-N -1 3 388.359 0.914 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1CCCC1 ZINC000820451273 606993660 /nfs/dbraw/zinc/99/36/60/606993660.db2.gz UOLOUWVTCPXINK-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1CCCC1 ZINC000820451273 606993661 /nfs/dbraw/zinc/99/36/61/606993661.db2.gz UOLOUWVTCPXINK-LLVKDONJSA-N -1 3 378.458 0.840 20 0 GCADHM CCN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821214869 606994114 /nfs/dbraw/zinc/99/41/14/606994114.db2.gz NCSOUDKGXXOZTE-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM CCN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821214869 606994116 /nfs/dbraw/zinc/99/41/16/606994116.db2.gz NCSOUDKGXXOZTE-NSHDSACASA-N -1 3 382.446 0.028 20 0 GCADHM COCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821687164 606998623 /nfs/dbraw/zinc/99/86/23/606998623.db2.gz RMBWICJDPZXUSC-NSHDSACASA-N -1 3 382.446 0.076 20 0 GCADHM COCCCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821687164 606998626 /nfs/dbraw/zinc/99/86/26/606998626.db2.gz RMBWICJDPZXUSC-NSHDSACASA-N -1 3 382.446 0.076 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822895741 606999031 /nfs/dbraw/zinc/99/90/31/606999031.db2.gz WSPVFRFFRVRIPR-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM NS(=O)(=O)c1ccc(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822895741 606999032 /nfs/dbraw/zinc/99/90/32/606999032.db2.gz WSPVFRFFRVRIPR-UHFFFAOYSA-N -1 3 391.384 0.939 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOCC1(C)C ZINC000820444516 607000288 /nfs/dbraw/zinc/00/02/88/607000288.db2.gz JYZQTOLTWCUXBF-LLVKDONJSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOCC1(C)C ZINC000820444516 607000290 /nfs/dbraw/zinc/00/02/90/607000290.db2.gz JYZQTOLTWCUXBF-LLVKDONJSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H](C)C1CC1 ZINC000820438352 607001933 /nfs/dbraw/zinc/00/19/33/607001933.db2.gz NMLFPSOBYRDGQV-GHMZBOCLSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H](C)C1CC1 ZINC000820438352 607001934 /nfs/dbraw/zinc/00/19/34/607001934.db2.gz NMLFPSOBYRDGQV-GHMZBOCLSA-N -1 3 378.458 0.696 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C)CCCC1 ZINC000820438601 607001952 /nfs/dbraw/zinc/00/19/52/607001952.db2.gz SQZUOZVVFQJMDU-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C)CCCC1 ZINC000820438601 607001953 /nfs/dbraw/zinc/00/19/53/607001953.db2.gz SQZUOZVVFQJMDU-NSHDSACASA-N -1 3 378.458 0.982 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccoc1 ZINC000820444123 607002010 /nfs/dbraw/zinc/00/20/10/607002010.db2.gz GQJBGXNUIOUPAT-JTQLQIEISA-N -1 3 376.398 0.443 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccoc1 ZINC000820444123 607002011 /nfs/dbraw/zinc/00/20/11/607002011.db2.gz GQJBGXNUIOUPAT-JTQLQIEISA-N -1 3 376.398 0.443 20 0 GCADHM C[C@@H]1OCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nnn[n-]4)c3)C2=O)[C@H]1C ZINC000820819484 607002152 /nfs/dbraw/zinc/00/21/52/607002152.db2.gz JAWHCHQYHLCYCL-OAVHHTNSSA-N -1 3 385.428 0.700 20 0 GCADHM C[C@@H]1OCCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[n-]n4)c3)C2=O)[C@H]1C ZINC000820819484 607002154 /nfs/dbraw/zinc/00/21/54/607002154.db2.gz JAWHCHQYHLCYCL-OAVHHTNSSA-N -1 3 385.428 0.700 20 0 GCADHM CCCN(C)S(=O)(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821088818 607003716 /nfs/dbraw/zinc/00/37/16/607003716.db2.gz XMUOZZVDGRLTGH-UHFFFAOYSA-N -1 3 379.490 0.965 20 0 GCADHM CCCN(C)S(=O)(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821088818 607003717 /nfs/dbraw/zinc/00/37/17/607003717.db2.gz XMUOZZVDGRLTGH-UHFFFAOYSA-N -1 3 379.490 0.965 20 0 GCADHM O=S(=O)(CC1CCCC1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000823557313 607004350 /nfs/dbraw/zinc/00/43/50/607004350.db2.gz JRGOTXFXMBMSAN-UHFFFAOYSA-N -1 3 377.474 0.904 20 0 GCADHM O=S(=O)(CC1CCCC1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823557313 607004352 /nfs/dbraw/zinc/00/43/52/607004352.db2.gz JRGOTXFXMBMSAN-UHFFFAOYSA-N -1 3 377.474 0.904 20 0 GCADHM COc1cc2c(nn1)CCN(S(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC000821727739 607005860 /nfs/dbraw/zinc/00/58/60/607005860.db2.gz NSFPTRKOCWLGPB-UHFFFAOYSA-N -1 3 391.388 0.551 20 0 GCADHM O=S(=O)(CCNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)CC1CC1 ZINC000823563103 607006593 /nfs/dbraw/zinc/00/65/93/607006593.db2.gz ZYRBXKBTMFABCH-UHFFFAOYSA-N -1 3 385.471 0.111 20 0 GCADHM O=S(=O)(CCNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)CC1CC1 ZINC000823563103 607006595 /nfs/dbraw/zinc/00/65/95/607006595.db2.gz ZYRBXKBTMFABCH-UHFFFAOYSA-N -1 3 385.471 0.111 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821640978 607007730 /nfs/dbraw/zinc/00/77/30/607007730.db2.gz SVVDILDBKJQLCI-CYBMUJFWSA-N -1 3 383.430 0.454 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821640978 607007732 /nfs/dbraw/zinc/00/77/32/607007732.db2.gz SVVDILDBKJQLCI-CYBMUJFWSA-N -1 3 383.430 0.454 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000821640343 607007777 /nfs/dbraw/zinc/00/77/77/607007777.db2.gz GQAQKAXIXMREGM-ZDUSSCGKSA-N -1 3 397.457 0.762 20 0 GCADHM COC(=O)[C@H](COC(C)C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821640343 607007778 /nfs/dbraw/zinc/00/77/78/607007778.db2.gz GQAQKAXIXMREGM-ZDUSSCGKSA-N -1 3 397.457 0.762 20 0 GCADHM COCCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821686799 607009778 /nfs/dbraw/zinc/00/97/78/607009778.db2.gz ADWMAPKBABVSJB-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM COCCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821686799 607009781 /nfs/dbraw/zinc/00/97/81/607009781.db2.gz ADWMAPKBABVSJB-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000820137184 607016678 /nfs/dbraw/zinc/01/66/78/607016678.db2.gz HWRBJGMETBUWTF-UHFFFAOYSA-N -1 3 396.473 0.468 20 0 GCADHM CC(C)NS(=O)(=O)CCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820137184 607016679 /nfs/dbraw/zinc/01/66/79/607016679.db2.gz HWRBJGMETBUWTF-UHFFFAOYSA-N -1 3 396.473 0.468 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000823331484 607019531 /nfs/dbraw/zinc/01/95/31/607019531.db2.gz DORRNNZGMBOKSV-JTQLQIEISA-N -1 3 386.803 0.855 20 0 GCADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000823331484 607019532 /nfs/dbraw/zinc/01/95/32/607019532.db2.gz DORRNNZGMBOKSV-JTQLQIEISA-N -1 3 386.803 0.855 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1CCSCC1 ZINC000820438082 607019866 /nfs/dbraw/zinc/01/98/66/607019866.db2.gz IGNANVNVPBRWCQ-JTQLQIEISA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CCSCC1 ZINC000820438082 607019868 /nfs/dbraw/zinc/01/98/68/607019868.db2.gz IGNANVNVPBRWCQ-JTQLQIEISA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCO[C@@H](C)C1 ZINC000820733058 607020159 /nfs/dbraw/zinc/02/01/59/607020159.db2.gz CKMILXHLOKEJSM-NWDGAFQWSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCO[C@@H](C)C1 ZINC000820733058 607020162 /nfs/dbraw/zinc/02/01/62/607020162.db2.gz CKMILXHLOKEJSM-NWDGAFQWSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCO[C@H](C)C1 ZINC000820733060 607020489 /nfs/dbraw/zinc/02/04/89/607020489.db2.gz CKMILXHLOKEJSM-VXGBXAGGSA-N -1 3 394.457 0.171 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCO[C@H](C)C1 ZINC000820733060 607020491 /nfs/dbraw/zinc/02/04/91/607020491.db2.gz CKMILXHLOKEJSM-VXGBXAGGSA-N -1 3 394.457 0.171 20 0 GCADHM CO[C@H](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821674008 607020970 /nfs/dbraw/zinc/02/09/70/607020970.db2.gz RBGLRNITFQCTLW-GHMZBOCLSA-N -1 3 382.446 0.075 20 0 GCADHM CO[C@H](C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821674008 607020972 /nfs/dbraw/zinc/02/09/72/607020972.db2.gz RBGLRNITFQCTLW-GHMZBOCLSA-N -1 3 382.446 0.075 20 0 GCADHM CC[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820979428 607021329 /nfs/dbraw/zinc/02/13/29/607021329.db2.gz ICAJLOXWMSZENN-WCQYABFASA-N -1 3 378.458 0.935 20 0 GCADHM CC[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820979428 607021331 /nfs/dbraw/zinc/02/13/31/607021331.db2.gz ICAJLOXWMSZENN-WCQYABFASA-N -1 3 378.458 0.935 20 0 GCADHM CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000821083464 607021491 /nfs/dbraw/zinc/02/14/91/607021491.db2.gz ZNGFYQVTISOUOG-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000821083464 607021492 /nfs/dbraw/zinc/02/14/92/607021492.db2.gz ZNGFYQVTISOUOG-LLVKDONJSA-N -1 3 378.458 0.935 20 0 GCADHM Cc1ncc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822472153 607021910 /nfs/dbraw/zinc/02/19/10/607021910.db2.gz PIOHRSPLHKUCIT-VIFPVBQESA-N -1 3 388.413 0.271 20 0 GCADHM Cc1ncc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822472153 607021912 /nfs/dbraw/zinc/02/19/12/607021912.db2.gz PIOHRSPLHKUCIT-VIFPVBQESA-N -1 3 388.413 0.271 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCS[C@@H](C)C1 ZINC000820734397 607023074 /nfs/dbraw/zinc/02/30/74/607023074.db2.gz MPJCKNXZQIXRIO-WDEREUQCSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS[C@@H](C)C1 ZINC000820734397 607023077 /nfs/dbraw/zinc/02/30/77/607023077.db2.gz MPJCKNXZQIXRIO-WDEREUQCSA-N -1 3 396.498 0.497 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOCC1CC1 ZINC000820447573 607024151 /nfs/dbraw/zinc/02/41/51/607024151.db2.gz ZWKOZOMYXBOFSB-LLVKDONJSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOCC1CC1 ZINC000820447573 607024152 /nfs/dbraw/zinc/02/41/52/607024152.db2.gz ZWKOZOMYXBOFSB-LLVKDONJSA-N -1 3 394.457 0.076 20 0 GCADHM CCN(CC1CC1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821197455 607026210 /nfs/dbraw/zinc/02/62/10/607026210.db2.gz LHDXWNMWMMZWEU-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM CCN(CC1CC1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821197455 607026213 /nfs/dbraw/zinc/02/62/13/607026213.db2.gz LHDXWNMWMMZWEU-LLVKDONJSA-N -1 3 378.458 0.792 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@]1(C)CCOC1 ZINC000820451325 607028183 /nfs/dbraw/zinc/02/81/83/607028183.db2.gz UXPYMNVZZZLTCZ-BDJLRTHQSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@]1(C)CCOC1 ZINC000820451325 607028185 /nfs/dbraw/zinc/02/81/85/607028185.db2.gz UXPYMNVZZZLTCZ-BDJLRTHQSA-N -1 3 394.457 0.076 20 0 GCADHM C[C@]1([C@@H]2CCCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)NC(=O)NC1=O ZINC000820612943 607028787 /nfs/dbraw/zinc/02/87/87/607028787.db2.gz OICMFEGWSVCTFK-JDNHERCYSA-N -1 3 377.355 0.959 20 0 GCADHM C[C@]1([C@@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)NC(=O)NC1=O ZINC000820612943 607028788 /nfs/dbraw/zinc/02/87/88/607028788.db2.gz OICMFEGWSVCTFK-JDNHERCYSA-N -1 3 377.355 0.959 20 0 GCADHM C[C@@]1([C@H]2CCCN(c3c(F)cc(-c4nnn[n-]4)cc3F)C2)NC(=O)NC1=O ZINC000820612942 607028820 /nfs/dbraw/zinc/02/88/20/607028820.db2.gz OICMFEGWSVCTFK-FVMDXXJSSA-N -1 3 377.355 0.959 20 0 GCADHM C[C@@]1([C@H]2CCCN(c3c(F)cc(-c4nn[n-]n4)cc3F)C2)NC(=O)NC1=O ZINC000820612942 607028823 /nfs/dbraw/zinc/02/88/23/607028823.db2.gz OICMFEGWSVCTFK-FVMDXXJSSA-N -1 3 377.355 0.959 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821440818 607030045 /nfs/dbraw/zinc/03/00/45/607030045.db2.gz CUIREHDSJZYCRI-LLVKDONJSA-N -1 3 381.458 0.964 20 0 GCADHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821440818 607030048 /nfs/dbraw/zinc/03/00/48/607030048.db2.gz CUIREHDSJZYCRI-LLVKDONJSA-N -1 3 381.458 0.964 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000823162033 607033966 /nfs/dbraw/zinc/03/39/66/607033966.db2.gz SCWUVOCQVZKHOF-HNAYVOBHSA-N -1 3 384.440 0.750 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000823162033 607033968 /nfs/dbraw/zinc/03/39/68/607033968.db2.gz SCWUVOCQVZKHOF-HNAYVOBHSA-N -1 3 384.440 0.750 20 0 GCADHM CC[C@@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821000307 607036569 /nfs/dbraw/zinc/03/65/69/607036569.db2.gz CMORBOHTEZYISI-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821000307 607036570 /nfs/dbraw/zinc/03/65/70/607036570.db2.gz CMORBOHTEZYISI-WCQYABFASA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821001321 607036654 /nfs/dbraw/zinc/03/66/54/607036654.db2.gz PZCNHNMVQHUDNH-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM CC[C@@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821001321 607036656 /nfs/dbraw/zinc/03/66/56/607036656.db2.gz PZCNHNMVQHUDNH-DGCLKSJQSA-N -1 3 394.457 0.171 20 0 GCADHM CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821572247 607037069 /nfs/dbraw/zinc/03/70/69/607037069.db2.gz XEWKRZHJLFCUMH-UHFFFAOYSA-N -1 3 379.446 0.754 20 0 GCADHM CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821572247 607037070 /nfs/dbraw/zinc/03/70/70/607037070.db2.gz XEWKRZHJLFCUMH-UHFFFAOYSA-N -1 3 379.446 0.754 20 0 GCADHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000819996184 607038014 /nfs/dbraw/zinc/03/80/14/607038014.db2.gz ATCKUWZPTHJZGT-HNNXBMFYSA-N -1 3 398.427 0.543 20 0 GCADHM CSCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821960602 607038525 /nfs/dbraw/zinc/03/85/25/607038525.db2.gz AUOQQLKCEOGHDJ-JTQLQIEISA-N -1 3 384.487 0.403 20 0 GCADHM CSCCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821960602 607038527 /nfs/dbraw/zinc/03/85/27/607038527.db2.gz AUOQQLKCEOGHDJ-JTQLQIEISA-N -1 3 384.487 0.403 20 0 GCADHM CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC000821149342 607039666 /nfs/dbraw/zinc/03/96/66/607039666.db2.gz VVSDQNOBGOXRAD-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC000821149342 607039668 /nfs/dbraw/zinc/03/96/68/607039668.db2.gz VVSDQNOBGOXRAD-NSHDSACASA-N -1 3 378.458 0.935 20 0 GCADHM CSCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821962019 607040113 /nfs/dbraw/zinc/04/01/13/607040113.db2.gz NRNVXXQBFGICGT-MNOVXSKESA-N -1 3 398.514 0.791 20 0 GCADHM CSCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821962019 607040114 /nfs/dbraw/zinc/04/01/14/607040114.db2.gz NRNVXXQBFGICGT-MNOVXSKESA-N -1 3 398.514 0.791 20 0 GCADHM CSCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821962026 607040317 /nfs/dbraw/zinc/04/03/17/607040317.db2.gz NUBXDYGYVKJJCO-GHMZBOCLSA-N -1 3 398.514 0.791 20 0 GCADHM CSCC[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821962026 607040319 /nfs/dbraw/zinc/04/03/19/607040319.db2.gz NUBXDYGYVKJJCO-GHMZBOCLSA-N -1 3 398.514 0.791 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1[C@H](C)COC[C@H]1C ZINC000820438475 607042413 /nfs/dbraw/zinc/04/24/13/607042413.db2.gz QGBDZMOYXUJOES-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1[C@H](C)COC[C@H]1C ZINC000820438475 607042414 /nfs/dbraw/zinc/04/24/14/607042414.db2.gz QGBDZMOYXUJOES-UTUOFQBUSA-N -1 3 394.457 0.169 20 0 GCADHM CCc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000821469705 607042918 /nfs/dbraw/zinc/04/29/18/607042918.db2.gz IEUUCBAVAJIRKT-SECBINFHSA-N -1 3 391.413 0.723 20 0 GCADHM CCc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000821469705 607042919 /nfs/dbraw/zinc/04/29/19/607042919.db2.gz IEUUCBAVAJIRKT-SECBINFHSA-N -1 3 391.413 0.723 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000820648709 607042951 /nfs/dbraw/zinc/04/29/51/607042951.db2.gz FVOBPQKPQWITHW-UTUOFQBUSA-N -1 3 378.458 0.790 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)C[C@H]1C ZINC000820648709 607042953 /nfs/dbraw/zinc/04/29/53/607042953.db2.gz FVOBPQKPQWITHW-UTUOFQBUSA-N -1 3 378.458 0.790 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821597748 607042968 /nfs/dbraw/zinc/04/29/68/607042968.db2.gz GKCQFHGGDZMXBW-LBPRGKRZSA-N -1 3 393.469 0.917 20 0 GCADHM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821597748 607042970 /nfs/dbraw/zinc/04/29/70/607042970.db2.gz GKCQFHGGDZMXBW-LBPRGKRZSA-N -1 3 393.469 0.917 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000820438224 607044025 /nfs/dbraw/zinc/04/40/25/607044025.db2.gz LAYNEBHIOKDABP-GMXVVIOVSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)[C@@H]1CCOC1 ZINC000820438224 607044027 /nfs/dbraw/zinc/04/40/27/607044027.db2.gz LAYNEBHIOKDABP-GMXVVIOVSA-N -1 3 394.457 0.075 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)C1CC1 ZINC000820438880 607044240 /nfs/dbraw/zinc/04/42/40/607044240.db2.gz YOJJCOXSXRNQBU-JTQLQIEISA-N -1 3 378.458 0.838 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)C1CC1 ZINC000820438880 607044242 /nfs/dbraw/zinc/04/42/42/607044242.db2.gz YOJJCOXSXRNQBU-JTQLQIEISA-N -1 3 378.458 0.838 20 0 GCADHM COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000821683277 607044640 /nfs/dbraw/zinc/04/46/40/607044640.db2.gz ZYPDBGUSQCRPOC-RISCZKNCSA-N -1 3 396.473 0.321 20 0 GCADHM COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000821683277 607044641 /nfs/dbraw/zinc/04/46/41/607044641.db2.gz ZYPDBGUSQCRPOC-RISCZKNCSA-N -1 3 396.473 0.321 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCSC1 ZINC000820438707 607049272 /nfs/dbraw/zinc/04/92/72/607049272.db2.gz VGSIHONWVCOGET-KOLCDFICSA-N -1 3 382.471 0.155 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCSC1 ZINC000820438707 607049275 /nfs/dbraw/zinc/04/92/75/607049275.db2.gz VGSIHONWVCOGET-KOLCDFICSA-N -1 3 382.471 0.155 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCSC1 ZINC000820450467 607049530 /nfs/dbraw/zinc/04/95/30/607049530.db2.gz KTUCYGJHDSQMJC-ONGXEEELSA-N -1 3 382.471 0.155 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCSC1 ZINC000820450467 607049532 /nfs/dbraw/zinc/04/95/32/607049532.db2.gz KTUCYGJHDSQMJC-ONGXEEELSA-N -1 3 382.471 0.155 20 0 GCADHM Cc1nsc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822535164 607050504 /nfs/dbraw/zinc/05/05/04/607050504.db2.gz IIRDPCLADRORKO-ZETCQYMHSA-N -1 3 394.442 0.332 20 0 GCADHM Cc1nsc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822535164 607050507 /nfs/dbraw/zinc/05/05/07/607050507.db2.gz IIRDPCLADRORKO-ZETCQYMHSA-N -1 3 394.442 0.332 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cccn1C ZINC000820445191 607051216 /nfs/dbraw/zinc/05/12/16/607051216.db2.gz OIVWYFYAIASINR-NSHDSACASA-N -1 3 389.441 0.188 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cccn1C ZINC000820445191 607051218 /nfs/dbraw/zinc/05/12/18/607051218.db2.gz OIVWYFYAIASINR-NSHDSACASA-N -1 3 389.441 0.188 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451013 607051279 /nfs/dbraw/zinc/05/12/79/607051279.db2.gz QVHMLTIWINYDOW-ZBEGNZNMSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451013 607051281 /nfs/dbraw/zinc/05/12/81/607051281.db2.gz QVHMLTIWINYDOW-ZBEGNZNMSA-N -1 3 396.473 0.057 20 0 GCADHM CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000821675016 607053273 /nfs/dbraw/zinc/05/32/73/607053273.db2.gz BFBPUQAHJVZRTC-FZMZJTMJSA-N -1 3 396.473 0.321 20 0 GCADHM CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000821675016 607053275 /nfs/dbraw/zinc/05/32/75/607053275.db2.gz BFBPUQAHJVZRTC-FZMZJTMJSA-N -1 3 396.473 0.321 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCSC1 ZINC000820450628 607054438 /nfs/dbraw/zinc/05/44/38/607054438.db2.gz NSLRYSGUTITVIR-JQWIXIFHSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCSC1 ZINC000820450628 607054440 /nfs/dbraw/zinc/05/44/40/607054440.db2.gz NSLRYSGUTITVIR-JQWIXIFHSA-N -1 3 396.498 0.545 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000820132343 607055830 /nfs/dbraw/zinc/05/58/30/607055830.db2.gz IIKFCECVECZKEM-UHFFFAOYSA-N -1 3 375.408 0.175 20 0 GCADHM CC(C)NC(=O)C(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000820132343 607055833 /nfs/dbraw/zinc/05/58/33/607055833.db2.gz IIKFCECVECZKEM-UHFFFAOYSA-N -1 3 375.408 0.175 20 0 GCADHM O=C(C(=O)N1CCN(Cc2cc(F)ccc2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000822911877 607059266 /nfs/dbraw/zinc/05/92/66/607059266.db2.gz CIASJEWNWRONBT-UHFFFAOYSA-N -1 3 387.419 0.272 20 0 GCADHM O=C(C(=O)N1CCN(Cc2cc(F)ccc2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000822911877 607059268 /nfs/dbraw/zinc/05/92/68/607059268.db2.gz CIASJEWNWRONBT-UHFFFAOYSA-N -1 3 387.419 0.272 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@]1(C)CCCO1 ZINC000820450555 607060223 /nfs/dbraw/zinc/06/02/23/607060223.db2.gz MMGMRYFRJHMCET-BDJLRTHQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@]1(C)CCCO1 ZINC000820450555 607060225 /nfs/dbraw/zinc/06/02/25/607060225.db2.gz MMGMRYFRJHMCET-BDJLRTHQSA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCS1 ZINC000820444033 607060436 /nfs/dbraw/zinc/06/04/36/607060436.db2.gz DTBJBUYGBPJTDI-CMPLNLGQSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCCS1 ZINC000820444033 607060435 /nfs/dbraw/zinc/06/04/35/607060435.db2.gz DTBJBUYGBPJTDI-CMPLNLGQSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@]1(C)CCCO1 ZINC000820438162 607060566 /nfs/dbraw/zinc/06/05/66/607060566.db2.gz JOOPUBHFQSALSO-MEDUHNTESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@]1(C)CCCO1 ZINC000820438162 607060568 /nfs/dbraw/zinc/06/05/68/607060568.db2.gz JOOPUBHFQSALSO-MEDUHNTESA-N -1 3 394.457 0.219 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCS1 ZINC000820451910 607060891 /nfs/dbraw/zinc/06/08/91/607060891.db2.gz YIRIOBYRNZFNNV-PWSUYJOCSA-N -1 3 396.498 0.545 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCS1 ZINC000820451910 607060893 /nfs/dbraw/zinc/06/08/93/607060893.db2.gz YIRIOBYRNZFNNV-PWSUYJOCSA-N -1 3 396.498 0.545 20 0 GCADHM O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000823161564 607061644 /nfs/dbraw/zinc/06/16/44/607061644.db2.gz OFDSBCKZXAIXSU-ZDUSSCGKSA-N -1 3 394.443 0.374 20 0 GCADHM O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000823161564 607061645 /nfs/dbraw/zinc/06/16/45/607061645.db2.gz OFDSBCKZXAIXSU-ZDUSSCGKSA-N -1 3 394.443 0.374 20 0 GCADHM CC(=O)N1CCCN([C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C)CC1 ZINC000819796488 607062583 /nfs/dbraw/zinc/06/25/83/607062583.db2.gz KAROJMDBSLSEFX-DYVFJYSZSA-N -1 3 398.471 0.276 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820054543 607062658 /nfs/dbraw/zinc/06/26/58/607062658.db2.gz AZHNOIZOJCJKKR-DGCLKSJQSA-N -1 3 396.473 0.057 20 0 GCADHM CC(C)C[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820054543 607062660 /nfs/dbraw/zinc/06/26/60/607062660.db2.gz AZHNOIZOJCJKKR-DGCLKSJQSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820994122 607063270 /nfs/dbraw/zinc/06/32/70/607063270.db2.gz DWJHQFUJJCEGOF-BXUZGUMPSA-N -1 3 378.458 0.657 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820994122 607063272 /nfs/dbraw/zinc/06/32/72/607063272.db2.gz DWJHQFUJJCEGOF-BXUZGUMPSA-N -1 3 378.458 0.657 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820995728 607063319 /nfs/dbraw/zinc/06/33/19/607063319.db2.gz WQQCHEZFNFOERO-KOLCDFICSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820995728 607063320 /nfs/dbraw/zinc/06/33/20/607063320.db2.gz WQQCHEZFNFOERO-KOLCDFICSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820995729 607063577 /nfs/dbraw/zinc/06/35/77/607063577.db2.gz WQQCHEZFNFOERO-MWLCHTKSSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820995729 607063578 /nfs/dbraw/zinc/06/35/78/607063578.db2.gz WQQCHEZFNFOERO-MWLCHTKSSA-N -1 3 384.487 0.718 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820861758 607063616 /nfs/dbraw/zinc/06/36/16/607063616.db2.gz NICJGUPGXAHXKI-MJVIPROJSA-N -1 3 396.473 0.057 20 0 GCADHM CC[C@H](C)[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820861758 607063617 /nfs/dbraw/zinc/06/36/17/607063617.db2.gz NICJGUPGXAHXKI-MJVIPROJSA-N -1 3 396.473 0.057 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[S@](C)=O ZINC000820240635 607064386 /nfs/dbraw/zinc/06/43/86/607064386.db2.gz CRQOZDNKZSNLMJ-MUDIAHQHSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@H](CCNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[S@](C)=O ZINC000820240635 607064388 /nfs/dbraw/zinc/06/43/88/607064388.db2.gz CRQOZDNKZSNLMJ-MUDIAHQHSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)[S@](C)=O ZINC000820243199 607064443 /nfs/dbraw/zinc/06/44/43/607064443.db2.gz XZEMMKKPINRLPO-JWNZJDHWSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@@H](CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)[S@](C)=O ZINC000820243199 607064446 /nfs/dbraw/zinc/06/44/46/607064446.db2.gz XZEMMKKPINRLPO-JWNZJDHWSA-N -1 3 392.489 0.250 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000820445371 607064997 /nfs/dbraw/zinc/06/49/97/607064997.db2.gz PBLKGESEEBBYCM-SRVKXCTJSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000820445371 607064999 /nfs/dbraw/zinc/06/49/99/607064999.db2.gz PBLKGESEEBBYCM-SRVKXCTJSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000820438301 607065744 /nfs/dbraw/zinc/06/57/44/607065744.db2.gz MKMHIWHIOJSKKV-SDDRHHMPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000820438301 607065745 /nfs/dbraw/zinc/06/57/45/607065745.db2.gz MKMHIWHIOJSKKV-SDDRHHMPSA-N -1 3 394.457 0.169 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)C1=O ZINC000820607603 607073350 /nfs/dbraw/zinc/07/33/50/607073350.db2.gz WVWABOCFWMXBIL-KRWDZBQOSA-N -1 3 388.359 0.770 20 0 GCADHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)C1=O ZINC000820607603 607073352 /nfs/dbraw/zinc/07/33/52/607073352.db2.gz WVWABOCFWMXBIL-KRWDZBQOSA-N -1 3 388.359 0.770 20 0 GCADHM Cn1cc(C=CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000822674234 607077037 /nfs/dbraw/zinc/07/70/37/607077037.db2.gz OIFXBHBNDAEKAZ-UTCJRWHESA-N -1 3 386.343 0.160 20 0 GCADHM Cn1cc(C=CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822674234 607077039 /nfs/dbraw/zinc/07/70/39/607077039.db2.gz OIFXBHBNDAEKAZ-UTCJRWHESA-N -1 3 386.343 0.160 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCCO1 ZINC000820451600 607079253 /nfs/dbraw/zinc/07/92/53/607079253.db2.gz WBEHMSXWGMNABI-ZYHUDNBSSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCCO1 ZINC000820451600 607079255 /nfs/dbraw/zinc/07/92/55/607079255.db2.gz WBEHMSXWGMNABI-ZYHUDNBSSA-N -1 3 381.414 0.256 20 0 GCADHM CCSCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821461669 607080147 /nfs/dbraw/zinc/08/01/47/607080147.db2.gz RDOCFNKAUBXFTQ-SNVBAGLBSA-N -1 3 385.471 0.830 20 0 GCADHM CCSCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821461669 607080148 /nfs/dbraw/zinc/08/01/48/607080148.db2.gz RDOCFNKAUBXFTQ-SNVBAGLBSA-N -1 3 385.471 0.830 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cnn(C)c1 ZINC000820451224 607080762 /nfs/dbraw/zinc/08/07/62/607080762.db2.gz SRDBNMPYVBTXKO-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cnn(C)c1 ZINC000820451224 607080763 /nfs/dbraw/zinc/08/07/63/607080763.db2.gz SRDBNMPYVBTXKO-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CCCOC1 ZINC000820450024 607081192 /nfs/dbraw/zinc/08/11/92/607081192.db2.gz FZLTYOAMTFNVCQ-RYUDHWBXSA-N -1 3 395.441 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CCCOC1 ZINC000820450024 607081195 /nfs/dbraw/zinc/08/11/95/607081195.db2.gz FZLTYOAMTFNVCQ-RYUDHWBXSA-N -1 3 395.441 0.503 20 0 GCADHM COCCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821686865 607081803 /nfs/dbraw/zinc/08/18/03/607081803.db2.gz COORVGFQWLCCSC-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM COCCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821686865 607081804 /nfs/dbraw/zinc/08/18/04/607081804.db2.gz COORVGFQWLCCSC-NSHDSACASA-N -1 3 383.430 0.503 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(C)COC1 ZINC000820444053 607082012 /nfs/dbraw/zinc/08/20/12/607082012.db2.gz FANHOIKIFHLPDI-JTQLQIEISA-N -1 3 381.414 0.113 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(C)COC1 ZINC000820444053 607082014 /nfs/dbraw/zinc/08/20/14/607082014.db2.gz FANHOIKIFHLPDI-JTQLQIEISA-N -1 3 381.414 0.113 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000820032153 607083852 /nfs/dbraw/zinc/08/38/52/607083852.db2.gz LSHBLGMGJAPKDM-WFASDCNBSA-N -1 3 393.469 0.964 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000820032153 607083854 /nfs/dbraw/zinc/08/38/54/607083854.db2.gz LSHBLGMGJAPKDM-WFASDCNBSA-N -1 3 393.469 0.964 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CCCS1 ZINC000820444855 607090732 /nfs/dbraw/zinc/09/07/32/607090732.db2.gz MNSDOQQKVGHSTB-PWSUYJOCSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CCCS1 ZINC000820444855 607090733 /nfs/dbraw/zinc/09/07/33/607090733.db2.gz MNSDOQQKVGHSTB-PWSUYJOCSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CCCS1 ZINC000820450447 607090773 /nfs/dbraw/zinc/09/07/73/607090773.db2.gz KTJXAJXSSVHYSU-PWSUYJOCSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CCCS1 ZINC000820450447 607090774 /nfs/dbraw/zinc/09/07/74/607090774.db2.gz KTJXAJXSSVHYSU-PWSUYJOCSA-N -1 3 397.482 0.972 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cncn1C ZINC000820447160 607090816 /nfs/dbraw/zinc/09/08/16/607090816.db2.gz YLNRQIVJIBGEDT-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cncn1C ZINC000820447160 607090819 /nfs/dbraw/zinc/09/08/19/607090819.db2.gz YLNRQIVJIBGEDT-SNVBAGLBSA-N -1 3 391.413 0.010 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cnccn1 ZINC000820444041 607090928 /nfs/dbraw/zinc/09/09/28/607090928.db2.gz DUIJUGVJEGPWAF-JTQLQIEISA-N -1 3 389.397 0.067 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cnccn1 ZINC000820444041 607090930 /nfs/dbraw/zinc/09/09/30/607090930.db2.gz DUIJUGVJEGPWAF-JTQLQIEISA-N -1 3 389.397 0.067 20 0 GCADHM COCCCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821686822 607091574 /nfs/dbraw/zinc/09/15/74/607091574.db2.gz BAAFHXCABAPQBQ-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM COCCCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821686822 607091575 /nfs/dbraw/zinc/09/15/75/607091575.db2.gz BAAFHXCABAPQBQ-LBPRGKRZSA-N -1 3 397.457 0.893 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000820451565 607091811 /nfs/dbraw/zinc/09/18/11/607091811.db2.gz VYVMXCUVOSIRQM-GMXVVIOVSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000820451565 607091813 /nfs/dbraw/zinc/09/18/13/607091813.db2.gz VYVMXCUVOSIRQM-GMXVVIOVSA-N -1 3 395.441 0.502 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC[C@H]1CCCO1 ZINC000820447551 607091985 /nfs/dbraw/zinc/09/19/85/607091985.db2.gz ZPCXZZBCUOUAKZ-WCQYABFASA-N -1 3 395.441 0.646 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC[C@H]1CCCO1 ZINC000820447551 607091988 /nfs/dbraw/zinc/09/19/88/607091988.db2.gz ZPCXZZBCUOUAKZ-WCQYABFASA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CCSC1 ZINC000820446006 607092131 /nfs/dbraw/zinc/09/21/31/607092131.db2.gz SWNSSJRSXPQEGJ-GHMZBOCLSA-N -1 3 397.482 0.830 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CCSC1 ZINC000820446006 607092133 /nfs/dbraw/zinc/09/21/33/607092133.db2.gz SWNSSJRSXPQEGJ-GHMZBOCLSA-N -1 3 397.482 0.830 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@]1(C)CCCO1 ZINC000820449820 607092219 /nfs/dbraw/zinc/09/22/19/607092219.db2.gz CUVCPVZSTDWJCM-BZNIZROVSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@]1(C)CCCO1 ZINC000820449820 607092221 /nfs/dbraw/zinc/09/22/21/607092221.db2.gz CUVCPVZSTDWJCM-BZNIZROVSA-N -1 3 395.441 0.646 20 0 GCADHM C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1n1ccnc1 ZINC000820716637 607092669 /nfs/dbraw/zinc/09/26/69/607092669.db2.gz KBHFRSUYGHFMRF-CJNGLKHVSA-N -1 3 394.439 0.903 20 0 GCADHM C[C@@H]1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1n1ccnc1 ZINC000820716637 607092671 /nfs/dbraw/zinc/09/26/71/607092671.db2.gz KBHFRSUYGHFMRF-CJNGLKHVSA-N -1 3 394.439 0.903 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000820804341 607093009 /nfs/dbraw/zinc/09/30/09/607093009.db2.gz QXXDLCSZIUNWFM-SCZZXKLOSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000820804341 607093011 /nfs/dbraw/zinc/09/30/11/607093011.db2.gz QXXDLCSZIUNWFM-SCZZXKLOSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820804605 607093121 /nfs/dbraw/zinc/09/31/21/607093121.db2.gz VSHATGXPPGDHEP-PSASIEDQSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820804605 607093122 /nfs/dbraw/zinc/09/31/22/607093122.db2.gz VSHATGXPPGDHEP-PSASIEDQSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000820804607 607093133 /nfs/dbraw/zinc/09/31/33/607093133.db2.gz VSHATGXPPGDHEP-WCBMZHEXSA-N -1 3 380.792 0.067 20 0 GCADHM C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000820804607 607093134 /nfs/dbraw/zinc/09/31/34/607093134.db2.gz VSHATGXPPGDHEP-WCBMZHEXSA-N -1 3 380.792 0.067 20 0 GCADHM O=C(Nc1cc(-c2nn[n-]n2)ccc1Cl)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000823290262 607094317 /nfs/dbraw/zinc/09/43/17/607094317.db2.gz VODSHHPQFSQKFN-JTQLQIEISA-N -1 3 386.803 0.855 20 0 GCADHM COC(=O)c1cc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)cn1C ZINC000821668192 607094490 /nfs/dbraw/zinc/09/44/90/607094490.db2.gz UQGDNFXYGVOPTB-UHFFFAOYSA-N -1 3 385.388 0.620 20 0 GCADHM COC(=O)c1cc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)cn1C ZINC000821668192 607094492 /nfs/dbraw/zinc/09/44/92/607094492.db2.gz UQGDNFXYGVOPTB-UHFFFAOYSA-N -1 3 385.388 0.620 20 0 GCADHM O=C(NC[C@@H]1CCCS1(=O)=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823175262 607096051 /nfs/dbraw/zinc/09/60/51/607096051.db2.gz DDKSJVNOZDZKNR-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM O=C(NC[C@@H]1CCCS1(=O)=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823175262 607096052 /nfs/dbraw/zinc/09/60/52/607096052.db2.gz DDKSJVNOZDZKNR-VIFPVBQESA-N -1 3 398.832 0.152 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC[C@H](C)[S@](C)=O ZINC000821400389 607096604 /nfs/dbraw/zinc/09/66/04/607096604.db2.gz IWTWKUCSGBZTMJ-JGFSIVIASA-N -1 3 394.457 0.477 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC[C@H](C)[S@](C)=O ZINC000821400389 607096606 /nfs/dbraw/zinc/09/66/06/607096606.db2.gz IWTWKUCSGBZTMJ-JGFSIVIASA-N -1 3 394.457 0.477 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)[S@@](C)=O ZINC000820242175 607097034 /nfs/dbraw/zinc/09/70/34/607097034.db2.gz LLKZQQRKUJCMOE-HUVZLPTESA-N -1 3 384.849 0.732 20 0 GCADHM C[C@@H](CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)[S@@](C)=O ZINC000820242175 607097036 /nfs/dbraw/zinc/09/70/36/607097036.db2.gz LLKZQQRKUJCMOE-HUVZLPTESA-N -1 3 384.849 0.732 20 0 GCADHM C[C@H](CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)[S@@](C)=O ZINC000820242161 607098408 /nfs/dbraw/zinc/09/84/08/607098408.db2.gz LHYCRDSSEXXUPF-GFVXYOJSSA-N -1 3 388.457 0.522 20 0 GCADHM C[C@H](CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)[S@@](C)=O ZINC000820242161 607098409 /nfs/dbraw/zinc/09/84/09/607098409.db2.gz LHYCRDSSEXXUPF-GFVXYOJSSA-N -1 3 388.457 0.522 20 0 GCADHM C[C@H](CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[S@@](C)=O ZINC000820241947 607098489 /nfs/dbraw/zinc/09/84/89/607098489.db2.gz KKYMEOBQAUGMHI-SSINHNECSA-N -1 3 399.498 0.055 20 0 GCADHM C[C@@H](CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[S@](C)=O ZINC000820241942 607098624 /nfs/dbraw/zinc/09/86/24/607098624.db2.gz KKYMEOBQAUGMHI-FTJNGKRUSA-N -1 3 399.498 0.055 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)C2)NC(=O)NC1=O ZINC000820607192 607101164 /nfs/dbraw/zinc/10/11/64/607101164.db2.gz MFEJDNDKAMSRCA-FZKQIMNGSA-N -1 3 398.427 0.386 20 0 GCADHM C[C@]1([C@@H]2CCCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)C2)NC(=O)NC1=O ZINC000820607192 607101166 /nfs/dbraw/zinc/10/11/66/607101166.db2.gz MFEJDNDKAMSRCA-FZKQIMNGSA-N -1 3 398.427 0.386 20 0 GCADHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000821304258 607101966 /nfs/dbraw/zinc/10/19/66/607101966.db2.gz CNLHWSZHYGCMPK-UHFFFAOYSA-N -1 3 394.399 0.381 20 0 GCADHM C[C@H]1CO[C@H](CO)CN1CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820803744 607103038 /nfs/dbraw/zinc/10/30/38/607103038.db2.gz GOGZSASMAGTFCK-JQWIXIFHSA-N -1 3 380.836 0.930 20 0 GCADHM C[C@H]1CO[C@H](CO)CN1CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820803744 607103040 /nfs/dbraw/zinc/10/30/40/607103040.db2.gz GOGZSASMAGTFCK-JQWIXIFHSA-N -1 3 380.836 0.930 20 0 GCADHM Cc1nnc([C@H](C)NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)o1 ZINC000822510515 607103702 /nfs/dbraw/zinc/10/37/02/607103702.db2.gz PLUHHUBMNJYZNV-QMMMGPOBSA-N -1 3 380.372 0.817 20 0 GCADHM Cc1nnc([C@H](C)NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)o1 ZINC000822510515 607103704 /nfs/dbraw/zinc/10/37/04/607103704.db2.gz PLUHHUBMNJYZNV-QMMMGPOBSA-N -1 3 380.372 0.817 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821640145 607109217 /nfs/dbraw/zinc/10/92/17/607109217.db2.gz BNRVYULHBLTQJW-CQSZACIVSA-N -1 3 376.417 0.704 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821640145 607109218 /nfs/dbraw/zinc/10/92/18/607109218.db2.gz BNRVYULHBLTQJW-CQSZACIVSA-N -1 3 376.417 0.704 20 0 GCADHM O=C(N[C@H]1CCCc2c[nH]nc21)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000823149832 607111031 /nfs/dbraw/zinc/11/10/31/607111031.db2.gz HSTHMAIHEPNGCZ-AWEZNQCLSA-N -1 3 394.443 0.894 20 0 GCADHM CC[C@H](C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCCC1=O ZINC000820848334 607111524 /nfs/dbraw/zinc/11/15/24/607111524.db2.gz VBBUNWRGUJRPJS-CABCVRRESA-N -1 3 398.423 0.916 20 0 GCADHM CC[C@H](C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCCC1=O ZINC000820848334 607111526 /nfs/dbraw/zinc/11/15/26/607111526.db2.gz VBBUNWRGUJRPJS-CABCVRRESA-N -1 3 398.423 0.916 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nnn[n-]2)cn1)CN1C(=O)c2ccccc2C1=O ZINC000823027429 607112185 /nfs/dbraw/zinc/11/21/85/607112185.db2.gz UQSPFKGYPFAFHS-UHFFFAOYSA-N -1 3 392.331 0.284 20 0 GCADHM O=C(COC(=O)c1ccc(-c2nn[n-]n2)cn1)CN1C(=O)c2ccccc2C1=O ZINC000823027429 607112186 /nfs/dbraw/zinc/11/21/86/607112186.db2.gz UQSPFKGYPFAFHS-UHFFFAOYSA-N -1 3 392.331 0.284 20 0 GCADHM Cc1ncc(C(=O)O[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)c(N)n1 ZINC000822467269 607113164 /nfs/dbraw/zinc/11/31/64/607113164.db2.gz KPGPGTQWNYHOTG-JTQLQIEISA-N -1 3 386.397 0.571 20 0 GCADHM Cc1ncc(C(=O)O[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)c(N)n1 ZINC000822467269 607113166 /nfs/dbraw/zinc/11/31/66/607113166.db2.gz KPGPGTQWNYHOTG-JTQLQIEISA-N -1 3 386.397 0.571 20 0 GCADHM CCOCCS(=O)(=O)NCC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000821384538 607113368 /nfs/dbraw/zinc/11/33/68/607113368.db2.gz ZDZBXHZGGLXNLG-UHFFFAOYSA-N 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CC[C@@H](C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820859178 607116556 /nfs/dbraw/zinc/11/65/56/607116556.db2.gz BXSSYEHJRKVOLA-GHMZBOCLSA-N -1 3 395.441 0.692 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1cccnc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820498011 607116893 /nfs/dbraw/zinc/11/68/93/607116893.db2.gz XWPLZWQMHGVTFI-NSHDSACASA-N -1 3 395.379 0.562 20 0 GCADHM C[C@H](OC(=O)CNC(=O)c1cccnc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820498011 607116894 /nfs/dbraw/zinc/11/68/94/607116894.db2.gz XWPLZWQMHGVTFI-NSHDSACASA-N -1 3 395.379 0.562 20 0 GCADHM COC(=O)CNC(=O)[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000821662840 607118101 /nfs/dbraw/zinc/11/81/01/607118101.db2.gz VZGHQVJVDBMTDL-JTQLQIEISA-N -1 3 391.384 0.245 20 0 GCADHM COC(=O)CNC(=O)[C@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821662840 607118103 /nfs/dbraw/zinc/11/81/03/607118103.db2.gz VZGHQVJVDBMTDL-JTQLQIEISA-N -1 3 391.384 0.245 20 0 GCADHM CSCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821962069 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CCOc1ccnc(N2CCCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000821436690 607168612 /nfs/dbraw/zinc/16/86/12/607168612.db2.gz FGFRXMWXNXFIPG-UHFFFAOYSA-N -1 3 395.427 0.803 20 0 GCADHM CCOc1ccnc(N2CCCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000821436690 607168614 /nfs/dbraw/zinc/16/86/14/607168614.db2.gz FGFRXMWXNXFIPG-UHFFFAOYSA-N -1 3 395.427 0.803 20 0 GCADHM CCOC(=O)N1CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821335062 607170402 /nfs/dbraw/zinc/17/04/02/607170402.db2.gz XFKIFRWRDBRYSH-UHFFFAOYSA-N -1 3 378.364 0.685 20 0 GCADHM CCOC(=O)N1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821335062 607170403 /nfs/dbraw/zinc/17/04/03/607170403.db2.gz XFKIFRWRDBRYSH-UHFFFAOYSA-N -1 3 378.364 0.685 20 0 GCADHM CN(C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000821568134 607180117 /nfs/dbraw/zinc/18/01/17/607180117.db2.gz IRSCPMOAWFFXSG-SECBINFHSA-N -1 3 398.832 0.104 20 0 GCADHM CN(C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000821568134 607180118 /nfs/dbraw/zinc/18/01/18/607180118.db2.gz IRSCPMOAWFFXSG-SECBINFHSA-N -1 3 398.832 0.104 20 0 GCADHM CC(C)(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819898084 607180250 /nfs/dbraw/zinc/18/02/50/607180250.db2.gz CMDJYRGNYULAEG-UHFFFAOYSA-N -1 3 393.835 0.737 20 0 GCADHM CC(C)(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819898084 607180251 /nfs/dbraw/zinc/18/02/51/607180251.db2.gz CMDJYRGNYULAEG-UHFFFAOYSA-N -1 3 393.835 0.737 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821656216 607180966 /nfs/dbraw/zinc/18/09/66/607180966.db2.gz ZWZZQMFKWCBNLI-VIFPVBQESA-N -1 3 378.776 0.480 20 0 GCADHM COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821656216 607180967 /nfs/dbraw/zinc/18/09/67/607180967.db2.gz ZWZZQMFKWCBNLI-VIFPVBQESA-N -1 3 378.776 0.480 20 0 GCADHM NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000822860062 607182624 /nfs/dbraw/zinc/18/26/24/607182624.db2.gz MOUGEJHWBCKREJ-WPRPVWTQSA-N -1 3 391.819 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ZINC000822528120 607182871 /nfs/dbraw/zinc/18/28/71/607182871.db2.gz SUGDLVMCMUYQNV-UHFFFAOYSA-N -1 3 376.764 0.509 20 0 GCADHM Cc1noc(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000822528120 607182872 /nfs/dbraw/zinc/18/28/72/607182872.db2.gz SUGDLVMCMUYQNV-UHFFFAOYSA-N -1 3 376.764 0.509 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)NC(C)(C)C ZINC000820317000 607183161 /nfs/dbraw/zinc/18/31/61/607183161.db2.gz ZBUCSCWCHMJMMO-QMMMGPOBSA-N -1 3 393.835 0.878 20 0 GCADHM C[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)NC(C)(C)C ZINC000820317000 607183162 /nfs/dbraw/zinc/18/31/62/607183162.db2.gz ZBUCSCWCHMJMMO-QMMMGPOBSA-N -1 3 393.835 0.878 20 0 GCADHM CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821315774 607183370 /nfs/dbraw/zinc/18/33/70/607183370.db2.gz XEKOMCDDIXCRDN-QMMMGPOBSA-N -1 3 380.792 0.774 20 0 GCADHM CCOC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821315774 607183371 /nfs/dbraw/zinc/18/33/71/607183371.db2.gz XEKOMCDDIXCRDN-QMMMGPOBSA-N -1 3 380.792 0.774 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000821655666 607183580 /nfs/dbraw/zinc/18/35/80/607183580.db2.gz PGMTYDNVNGEUHA-JTQLQIEISA-N -1 3 392.803 0.870 20 0 GCADHM COC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000821655666 607183581 /nfs/dbraw/zinc/18/35/81/607183581.db2.gz PGMTYDNVNGEUHA-JTQLQIEISA-N -1 3 392.803 0.870 20 0 GCADHM CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821951280 607183650 /nfs/dbraw/zinc/18/36/50/607183650.db2.gz VWCKNJHDBCHUIC-CPCISQLKSA-N -1 3 384.849 0.687 20 0 GCADHM CS[C@@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821951280 607183651 /nfs/dbraw/zinc/18/36/51/607183651.db2.gz VWCKNJHDBCHUIC-CPCISQLKSA-N -1 3 384.849 0.687 20 0 GCADHM O=C(NCc1nncn1C1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823269372 607183704 /nfs/dbraw/zinc/18/37/04/607183704.db2.gz DUIPSGWJPDGFPP-UHFFFAOYSA-N -1 3 387.791 0.701 20 0 GCADHM O=C(NCc1nncn1C1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823269372 607183705 /nfs/dbraw/zinc/18/37/05/607183705.db2.gz DUIPSGWJPDGFPP-UHFFFAOYSA-N -1 3 387.791 0.701 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000823315025 607183937 /nfs/dbraw/zinc/18/39/37/607183937.db2.gz WLDZHVUMHDDOSE-VIFPVBQESA-N -1 3 389.803 0.338 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000823315025 607183938 /nfs/dbraw/zinc/18/39/38/607183938.db2.gz WLDZHVUMHDDOSE-VIFPVBQESA-N -1 3 389.803 0.338 20 0 GCADHM O=C(NC[C@@]1(CCO)CCOC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823165948 607184196 /nfs/dbraw/zinc/18/41/96/607184196.db2.gz CKIGHNQQXRGGQR-MRXNPFEDSA-N -1 3 394.819 0.364 20 0 GCADHM O=C(NC[C@@]1(CCO)CCOC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823165948 607184197 /nfs/dbraw/zinc/18/41/97/607184197.db2.gz CKIGHNQQXRGGQR-MRXNPFEDSA-N -1 3 394.819 0.364 20 0 GCADHM O=C(NC[C@H]1CCCS1(=O)=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823175469 607184242 /nfs/dbraw/zinc/18/42/42/607184242.db2.gz JHFBGRBOUHPQCX-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(NC[C@H]1CCCS1(=O)=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823175469 607184243 /nfs/dbraw/zinc/18/42/43/607184243.db2.gz JHFBGRBOUHPQCX-SECBINFHSA-N -1 3 398.832 0.152 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823313617 607184287 /nfs/dbraw/zinc/18/42/87/607184287.db2.gz GLQCRTHGWKBGRE-VIFPVBQESA-N -1 3 391.775 0.122 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000823313617 607184288 /nfs/dbraw/zinc/18/42/88/607184288.db2.gz GLQCRTHGWKBGRE-VIFPVBQESA-N -1 3 391.775 0.122 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000822899603 607186211 /nfs/dbraw/zinc/18/62/11/607186211.db2.gz LVWQIWCQIMOWSF-DOMZBBRYSA-N -1 3 382.428 0.916 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000822899603 607186212 /nfs/dbraw/zinc/18/62/12/607186212.db2.gz LVWQIWCQIMOWSF-DOMZBBRYSA-N -1 3 382.428 0.916 20 0 GCADHM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)n1ncc(-c3nnn[n-]3)c1N)C2=O ZINC000820595386 607193970 /nfs/dbraw/zinc/19/39/70/607193970.db2.gz HZIWZKWJBBIANS-MRXNPFEDSA-N -1 3 387.404 0.176 20 0 GCADHM CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821595214 607199931 /nfs/dbraw/zinc/19/99/31/607199931.db2.gz PIUKCTFIGOLMFC-GFCCVEGCSA-N -1 3 395.851 0.677 20 0 GCADHM CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821595214 607199932 /nfs/dbraw/zinc/19/99/32/607199932.db2.gz PIUKCTFIGOLMFC-GFCCVEGCSA-N -1 3 395.851 0.677 20 0 GCADHM CNC(=O)CN1CCC(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000821632874 607201056 /nfs/dbraw/zinc/20/10/56/607201056.db2.gz MUHQZHWDPGKHOC-UHFFFAOYSA-N -1 3 392.851 0.852 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000823535994 607205414 /nfs/dbraw/zinc/20/54/14/607205414.db2.gz OLCOQGQNYNZVGN-OLZOCXBDSA-N -1 3 385.432 0.126 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 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DRRFTGKXULRLQZ-UHFFFAOYSA-N -1 3 386.437 0.999 20 0 GCADHM CS(=O)(=O)c1ccc(CNC(=O)CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821936703 607208187 /nfs/dbraw/zinc/20/81/87/607208187.db2.gz DRRFTGKXULRLQZ-UHFFFAOYSA-N -1 3 386.437 0.999 20 0 GCADHM Cn1cc([C@]2(C)NC(=O)N(CCOc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822674572 607229283 /nfs/dbraw/zinc/22/92/83/607229283.db2.gz XDRLGMXFVBYENJ-KRWDZBQOSA-N -1 3 382.384 0.446 20 0 GCADHM c1nn2c(c1-c1nnn[n-]1)NC[C@@H](CNc1ccc(N3CCOCC3)cn1)C2 ZINC000823757581 607229457 /nfs/dbraw/zinc/22/94/57/607229457.db2.gz RTGFQZNBUQASJS-GFCCVEGCSA-N -1 3 382.432 0.449 20 0 GCADHM c1nn2c(c1-c1nn[n-]n1)NC[C@@H](CNc1ccc(N3CCOCC3)cn1)C2 ZINC000823757581 607229458 /nfs/dbraw/zinc/22/94/58/607229458.db2.gz RTGFQZNBUQASJS-GFCCVEGCSA-N -1 3 382.432 0.449 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000820994468 607230388 /nfs/dbraw/zinc/23/03/88/607230388.db2.gz IPAUWSTXSOQVNX-CJNGLKHVSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000820994468 607230389 /nfs/dbraw/zinc/23/03/89/607230389.db2.gz IPAUWSTXSOQVNX-CJNGLKHVSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000820994473 607230564 /nfs/dbraw/zinc/23/05/64/607230564.db2.gz IPAUWSTXSOQVNX-XJKSGUPXSA-N -1 3 392.485 0.598 20 0 GCADHM CC[C@H]1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000820994473 607230565 /nfs/dbraw/zinc/23/05/65/607230565.db2.gz IPAUWSTXSOQVNX-XJKSGUPXSA-N -1 3 392.485 0.598 20 0 GCADHM O=S(=O)(N[C@H]1CCOC2(CCOCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823572813 607230995 /nfs/dbraw/zinc/23/09/95/607230995.db2.gz NHFPHVBXRXAQJI-ZDUSSCGKSA-N -1 3 379.442 0.873 20 0 GCADHM O=S(=O)(N[C@H]1CCOC2(CCOCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823572813 607230996 /nfs/dbraw/zinc/23/09/96/607230996.db2.gz NHFPHVBXRXAQJI-ZDUSSCGKSA-N -1 3 379.442 0.873 20 0 GCADHM Cc1ncc(C(=O)N2CCN(c3cccc(F)c3-c3nnn[n-]3)CC2)c(N)n1 ZINC000822466938 607233241 /nfs/dbraw/zinc/23/32/41/607233241.db2.gz GBRDTTPUNULFOT-UHFFFAOYSA-N -1 3 383.391 0.649 20 0 GCADHM Cc1ncc(C(=O)N2CCN(c3cccc(F)c3-c3nn[n-]n3)CC2)c(N)n1 ZINC000822466938 607233242 /nfs/dbraw/zinc/23/32/42/607233242.db2.gz GBRDTTPUNULFOT-UHFFFAOYSA-N -1 3 383.391 0.649 20 0 GCADHM O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823536173 607233356 /nfs/dbraw/zinc/23/33/56/607233356.db2.gz UUKFITCDVAOJHK-UHFFFAOYSA-N -1 3 399.802 0.499 20 0 GCADHM O=C(Nc1ccc(N2CCNC(=O)C2)nc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823536173 607233357 /nfs/dbraw/zinc/23/33/57/607233357.db2.gz UUKFITCDVAOJHK-UHFFFAOYSA-N -1 3 399.802 0.499 20 0 GCADHM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000820908942 607234300 /nfs/dbraw/zinc/23/43/00/607234300.db2.gz RZSXDXBIXBEOHK-AWEZNQCLSA-N -1 3 395.423 0.944 20 0 GCADHM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000820908942 607234301 /nfs/dbraw/zinc/23/43/01/607234301.db2.gz RZSXDXBIXBEOHK-AWEZNQCLSA-N -1 3 395.423 0.944 20 0 GCADHM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000820908122 607234445 /nfs/dbraw/zinc/23/44/45/607234445.db2.gz JMGMNGJRULELHE-CQSZACIVSA-N -1 3 397.439 0.887 20 0 GCADHM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000820908122 607234446 /nfs/dbraw/zinc/23/44/46/607234446.db2.gz JMGMNGJRULELHE-CQSZACIVSA-N -1 3 397.439 0.887 20 0 GCADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000820541429 607234955 /nfs/dbraw/zinc/23/49/55/607234955.db2.gz FPNOPYMNIQSYDT-RYUDHWBXSA-N -1 3 394.457 0.304 20 0 GCADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@H]1CS(N)(=O)=O ZINC000820541429 607234956 /nfs/dbraw/zinc/23/49/56/607234956.db2.gz FPNOPYMNIQSYDT-RYUDHWBXSA-N -1 3 394.457 0.304 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000820541430 607235062 /nfs/dbraw/zinc/23/50/62/607235062.db2.gz FPNOPYMNIQSYDT-VXGBXAGGSA-N -1 3 394.457 0.304 20 0 GCADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O ZINC000820541430 607235063 /nfs/dbraw/zinc/23/50/63/607235063.db2.gz FPNOPYMNIQSYDT-VXGBXAGGSA-N -1 3 394.457 0.304 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819868587 607236176 /nfs/dbraw/zinc/23/61/76/607236176.db2.gz ZUZWQNGSODNIMH-SCZZXKLOSA-N -1 3 399.864 0.210 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](S(N)(=O)=O)C1 ZINC000819868587 607236177 /nfs/dbraw/zinc/23/61/77/607236177.db2.gz ZUZWQNGSODNIMH-SCZZXKLOSA-N -1 3 399.864 0.210 20 0 GCADHM C[C@@H](C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819857656 607237918 /nfs/dbraw/zinc/23/79/18/607237918.db2.gz TXQMRDNDQIUACS-JTQLQIEISA-N -1 3 397.432 0.951 20 0 GCADHM C[C@@H](C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)S(=O)(=O)C1CCOCC1 ZINC000819857656 607237919 /nfs/dbraw/zinc/23/79/19/607237919.db2.gz TXQMRDNDQIUACS-JTQLQIEISA-N -1 3 397.432 0.951 20 0 GCADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)S(=O)(=O)C1CCOCC1 ZINC000819866238 607238468 /nfs/dbraw/zinc/23/84/68/607238468.db2.gz LISYJVCUQRGCAT-SECBINFHSA-N -1 3 383.405 0.927 20 0 GCADHM C[C@H](C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)S(=O)(=O)C1CCOCC1 ZINC000819866238 607238469 /nfs/dbraw/zinc/23/84/69/607238469.db2.gz LISYJVCUQRGCAT-SECBINFHSA-N -1 3 383.405 0.927 20 0 GCADHM COc1cc(-c2nnn[n-]2)cc(Br)c1OC(=O)[C@@H]1COCCO1 ZINC000821698613 607239954 /nfs/dbraw/zinc/23/99/54/607239954.db2.gz RDQSVAKRESGIJU-JTQLQIEISA-N -1 3 385.174 0.959 20 0 GCADHM COc1cc(-c2nn[n-]n2)cc(Br)c1OC(=O)[C@@H]1COCCO1 ZINC000821698613 607239955 /nfs/dbraw/zinc/23/99/55/607239955.db2.gz RDQSVAKRESGIJU-JTQLQIEISA-N -1 3 385.174 0.959 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819803956 607242006 /nfs/dbraw/zinc/24/20/06/607242006.db2.gz RYAQYPLIVRSGCH-CYBMUJFWSA-N -1 3 391.819 0.586 20 0 GCADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819803956 607242007 /nfs/dbraw/zinc/24/20/07/607242007.db2.gz RYAQYPLIVRSGCH-CYBMUJFWSA-N -1 3 391.819 0.586 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C2CC2)CC1 ZINC000824640629 607773600 /nfs/dbraw/zinc/77/36/00/607773600.db2.gz MPABLBLNUUZEEY-NSHDSACASA-N -1 3 390.469 0.840 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C2CC2)CC1 ZINC000824640629 607773601 /nfs/dbraw/zinc/77/36/01/607773601.db2.gz MPABLBLNUUZEEY-NSHDSACASA-N -1 3 390.469 0.840 20 0 GCADHM CNC(=O)c1cccc(CCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000826073031 607778088 /nfs/dbraw/zinc/77/80/88/607778088.db2.gz BFHPSZPJSHTWDO-UHFFFAOYSA-N -1 3 384.400 0.181 20 0 GCADHM CNC(=O)c1cccc(CCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000826073031 607778089 /nfs/dbraw/zinc/77/80/89/607778089.db2.gz BFHPSZPJSHTWDO-UHFFFAOYSA-N -1 3 384.400 0.181 20 0 GCADHM CC(=O)N1CC[C@H](NC(=O)NCCNc2ncccc2-c2nnn[n-]2)[C@H](C)C1 ZINC000823972406 607781276 /nfs/dbraw/zinc/78/12/76/607781276.db2.gz AJTJQHCKRWBNKG-RISCZKNCSA-N -1 3 387.448 0.230 20 0 GCADHM CC(=O)N1CC[C@H](NC(=O)NCCNc2ncccc2-c2nn[n-]n2)[C@H](C)C1 ZINC000823972406 607781277 /nfs/dbraw/zinc/78/12/77/607781277.db2.gz AJTJQHCKRWBNKG-RISCZKNCSA-N -1 3 387.448 0.230 20 0 GCADHM CS(=O)(=O)CCN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826222707 607801761 /nfs/dbraw/zinc/80/17/61/607801761.db2.gz ITEKKGAGKDTEBO-UHFFFAOYSA-N -1 3 378.458 0.704 20 0 GCADHM CS(=O)(=O)CCN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826222707 607801762 /nfs/dbraw/zinc/80/17/62/607801762.db2.gz ITEKKGAGKDTEBO-UHFFFAOYSA-N -1 3 378.458 0.704 20 0 GCADHM CS(=O)(=O)CCN(Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)C1CC1 ZINC000826222896 607802186 /nfs/dbraw/zinc/80/21/86/607802186.db2.gz RUHGLKDZVJLZAG-UHFFFAOYSA-N -1 3 389.441 0.926 20 0 GCADHM CS(=O)(=O)CCN(Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1)C1CC1 ZINC000826222896 607802187 /nfs/dbraw/zinc/80/21/87/607802187.db2.gz RUHGLKDZVJLZAG-UHFFFAOYSA-N -1 3 389.441 0.926 20 0 GCADHM CS(=O)(=O)CCN(CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C1CC1 ZINC000826222835 607802387 /nfs/dbraw/zinc/80/23/87/607802387.db2.gz OROPSRVUUGVVMR-UHFFFAOYSA-N -1 3 398.876 0.968 20 0 GCADHM CS(=O)(=O)CCN(CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C1CC1 ZINC000826222835 607802388 /nfs/dbraw/zinc/80/23/88/607802388.db2.gz OROPSRVUUGVVMR-UHFFFAOYSA-N -1 3 398.876 0.968 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826223778 607804017 /nfs/dbraw/zinc/80/40/17/607804017.db2.gz ZPMFFDBJXAXQJD-SECBINFHSA-N -1 3 383.409 0.409 20 0 GCADHM CS(=O)(=O)N1CC[C@H](CNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826223778 607804018 /nfs/dbraw/zinc/80/40/18/607804018.db2.gz ZPMFFDBJXAXQJD-SECBINFHSA-N -1 3 383.409 0.409 20 0 GCADHM CC(C)C1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824640117 607808343 /nfs/dbraw/zinc/80/83/43/607808343.db2.gz AOOFALLUVSKTGD-NSHDSACASA-N -1 3 378.458 0.648 20 0 GCADHM CC(C)C1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824640117 607808344 /nfs/dbraw/zinc/80/83/44/607808344.db2.gz AOOFALLUVSKTGD-NSHDSACASA-N -1 3 378.458 0.648 20 0 GCADHM CCN(CCS(C)(=O)=O)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825424243 607808683 /nfs/dbraw/zinc/80/86/83/607808683.db2.gz CHHHWZKMWGXWMG-OAHLLOKOSA-N -1 3 392.485 0.729 20 0 GCADHM CCN(CCS(C)(=O)=O)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825424242 607808787 /nfs/dbraw/zinc/80/87/87/607808787.db2.gz CHHHWZKMWGXWMG-HNNXBMFYSA-N -1 3 392.485 0.729 20 0 GCADHM COC(=O)[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111787 607808806 /nfs/dbraw/zinc/80/88/06/607808806.db2.gz MHJAPHHBCGWXDL-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM COC(=O)[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111787 607808807 /nfs/dbraw/zinc/80/88/07/607808807.db2.gz MHJAPHHBCGWXDL-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000826305359 607809537 /nfs/dbraw/zinc/80/95/37/607809537.db2.gz TYPFWJWCWHVOJM-GFCCVEGCSA-N -1 3 387.469 0.839 20 0 GCADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NC[C@H]1CCN(S(C)(=O)=O)C1 ZINC000826305359 607809538 /nfs/dbraw/zinc/80/95/38/607809538.db2.gz TYPFWJWCWHVOJM-GFCCVEGCSA-N -1 3 387.469 0.839 20 0 GCADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825424471 607811916 /nfs/dbraw/zinc/81/19/16/607811916.db2.gz IFARUNRDTQOCQV-UHFFFAOYSA-N -1 3 377.423 0.061 20 0 GCADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825424471 607811917 /nfs/dbraw/zinc/81/19/17/607811917.db2.gz IFARUNRDTQOCQV-UHFFFAOYSA-N -1 3 377.423 0.061 20 0 GCADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825424390 607811956 /nfs/dbraw/zinc/81/19/56/607811956.db2.gz FBGVYUJCKMDMPT-UHFFFAOYSA-N -1 3 377.423 0.061 20 0 GCADHM CCOC(=O)C1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825499336 607813875 /nfs/dbraw/zinc/81/38/75/607813875.db2.gz KOVKIFMQBIIWCO-UHFFFAOYSA-N -1 3 393.469 0.916 20 0 GCADHM CCOC(=O)C1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825499336 607813876 /nfs/dbraw/zinc/81/38/76/607813876.db2.gz KOVKIFMQBIIWCO-UHFFFAOYSA-N -1 3 393.469 0.916 20 0 GCADHM CCC[C@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825258795 607814472 /nfs/dbraw/zinc/81/44/72/607814472.db2.gz DLXZMMVFWNUMRF-GFCCVEGCSA-N -1 3 378.414 0.361 20 0 GCADHM CCC[C@H]1NC(=O)N(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825258795 607814473 /nfs/dbraw/zinc/81/44/73/607814473.db2.gz DLXZMMVFWNUMRF-GFCCVEGCSA-N -1 3 378.414 0.361 20 0 GCADHM C[C@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000824707303 607815156 /nfs/dbraw/zinc/81/51/56/607815156.db2.gz POORBSFDUAWUCH-KGLIPLIRSA-N -1 3 394.501 0.027 20 0 GCADHM C[C@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000824707303 607815157 /nfs/dbraw/zinc/81/51/57/607815157.db2.gz POORBSFDUAWUCH-KGLIPLIRSA-N -1 3 394.501 0.027 20 0 GCADHM O=C1NC2(CCC2)C(=O)N1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826481627 607815747 /nfs/dbraw/zinc/81/57/47/607815747.db2.gz CVDAEVFSJRRKDK-UHFFFAOYSA-N -1 3 376.398 0.115 20 0 GCADHM O=C1NC2(CCC2)C(=O)N1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826481627 607815748 /nfs/dbraw/zinc/81/57/48/607815748.db2.gz CVDAEVFSJRRKDK-UHFFFAOYSA-N -1 3 376.398 0.115 20 0 GCADHM O=S(=O)(CCN1CCO[C@@H]([C@H]2CCCO2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484490 607816454 /nfs/dbraw/zinc/81/64/54/607816454.db2.gz FNLCTYVXJVGNHK-HZPDHXFCSA-N -1 3 393.469 0.520 20 0 GCADHM O=S(=O)(CCN1CCO[C@@H]([C@H]2CCCO2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484490 607816455 /nfs/dbraw/zinc/81/64/55/607816455.db2.gz FNLCTYVXJVGNHK-HZPDHXFCSA-N -1 3 393.469 0.520 20 0 GCADHM NC(=O)COc1cccc(OS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826391354 607818872 /nfs/dbraw/zinc/81/88/72/607818872.db2.gz HPCXTUDVNMMUNF-UHFFFAOYSA-N -1 3 393.356 0.638 20 0 GCADHM NC(=O)COc1cccc(OS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000826391354 607818873 /nfs/dbraw/zinc/81/88/73/607818873.db2.gz HPCXTUDVNMMUNF-UHFFFAOYSA-N -1 3 393.356 0.638 20 0 GCADHM C[C@@H](CNC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000824420926 607825321 /nfs/dbraw/zinc/82/53/21/607825321.db2.gz QHEPWPZQKBIKKN-LBPRGKRZSA-N -1 3 381.458 0.965 20 0 GCADHM C[C@@H](CNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000824420926 607825322 /nfs/dbraw/zinc/82/53/22/607825322.db2.gz QHEPWPZQKBIKKN-LBPRGKRZSA-N -1 3 381.458 0.965 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC[C@@H](C)C1 ZINC000825006946 607825695 /nfs/dbraw/zinc/82/56/95/607825695.db2.gz UAWYHFWXJYLZDZ-NWDGAFQWSA-N -1 3 394.457 0.028 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC[C@@H](C)C1 ZINC000825006946 607825696 /nfs/dbraw/zinc/82/56/96/607825696.db2.gz UAWYHFWXJYLZDZ-NWDGAFQWSA-N -1 3 394.457 0.028 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NC[C@H](C)S(C)(=O)=O ZINC000826175584 607825935 /nfs/dbraw/zinc/82/59/35/607825935.db2.gz JTLCCGHLIMDMHA-NSHDSACASA-N -1 3 397.457 0.584 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NC[C@H](C)S(C)(=O)=O ZINC000826175584 607825936 /nfs/dbraw/zinc/82/59/36/607825936.db2.gz JTLCCGHLIMDMHA-NSHDSACASA-N -1 3 397.457 0.584 20 0 GCADHM C[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC000824420031 607826265 /nfs/dbraw/zinc/82/62/65/607826265.db2.gz FJCTZHDSQSHEJM-NSHDSACASA-N -1 3 394.457 0.525 20 0 GCADHM C[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC000824420031 607826266 /nfs/dbraw/zinc/82/62/66/607826266.db2.gz FJCTZHDSQSHEJM-NSHDSACASA-N -1 3 394.457 0.525 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824213331 607827614 /nfs/dbraw/zinc/82/76/14/607827614.db2.gz ABVPBSBRZBDSOH-CQSZACIVSA-N -1 3 378.458 0.097 20 0 GCADHM CC(C)[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824213331 607827615 /nfs/dbraw/zinc/82/76/15/607827615.db2.gz ABVPBSBRZBDSOH-CQSZACIVSA-N -1 3 378.458 0.097 20 0 GCADHM O=S(=O)(CCN1CCC2(CC1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000826484936 607827648 /nfs/dbraw/zinc/82/76/48/607827648.db2.gz VNDCGEJPGGEIGP-UHFFFAOYSA-N -1 3 379.442 0.479 20 0 GCADHM O=S(=O)(CCN1CCC2(CC1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000826484936 607827649 /nfs/dbraw/zinc/82/76/49/607827649.db2.gz VNDCGEJPGGEIGP-UHFFFAOYSA-N -1 3 379.442 0.479 20 0 GCADHM COC(=O)[C@@H](C)CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826098566 607828496 /nfs/dbraw/zinc/82/84/96/607828496.db2.gz ILDZJYMXZSDXRE-LBPRGKRZSA-N -1 3 393.469 0.914 20 0 GCADHM COC(=O)[C@@H](C)CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826098566 607828497 /nfs/dbraw/zinc/82/84/97/607828497.db2.gz ILDZJYMXZSDXRE-LBPRGKRZSA-N -1 3 393.469 0.914 20 0 GCADHM NC(=O)CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000826391280 607828563 /nfs/dbraw/zinc/82/85/63/607828563.db2.gz DQUMMMOPLXQHFI-UHFFFAOYSA-N -1 3 378.458 0.370 20 0 GCADHM NC(=O)CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000826391280 607828564 /nfs/dbraw/zinc/82/85/64/607828564.db2.gz DQUMMMOPLXQHFI-UHFFFAOYSA-N -1 3 378.458 0.370 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824857475 607828579 /nfs/dbraw/zinc/82/85/79/607828579.db2.gz CLBDZFMGZIXGNP-RYUDHWBXSA-N -1 3 399.498 0.148 20 0 GCADHM C[C@H]1[C@H](C)S(=O)(=O)CCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824857475 607828580 /nfs/dbraw/zinc/82/85/80/607828580.db2.gz CLBDZFMGZIXGNP-RYUDHWBXSA-N -1 3 399.498 0.148 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000825946161 607829167 /nfs/dbraw/zinc/82/91/67/607829167.db2.gz LEEOLZJABYLBSH-LBPRGKRZSA-N -1 3 399.498 0.007 20 0 GCADHM CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000825946161 607829168 /nfs/dbraw/zinc/82/91/68/607829168.db2.gz LEEOLZJABYLBSH-LBPRGKRZSA-N -1 3 399.498 0.007 20 0 GCADHM O=S(=O)(CCN1CCO[C@@H](C(F)(F)F)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826484825 607829413 /nfs/dbraw/zinc/82/94/13/607829413.db2.gz QQQRAIUZLQCBCC-GFCCVEGCSA-N -1 3 391.375 0.904 20 0 GCADHM O=S(=O)(CCN1CCO[C@@H](C(F)(F)F)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826484825 607829414 /nfs/dbraw/zinc/82/94/14/607829414.db2.gz QQQRAIUZLQCBCC-GFCCVEGCSA-N -1 3 391.375 0.904 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]2CCCC[C@H]2N1 ZINC000826481038 607830035 /nfs/dbraw/zinc/83/00/35/607830035.db2.gz CZHHXWDMTFPURQ-CABCVRRESA-N -1 3 390.469 0.383 20 0 GCADHM O=C1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]2CCCC[C@H]2N1 ZINC000826481038 607830036 /nfs/dbraw/zinc/83/00/36/607830036.db2.gz CZHHXWDMTFPURQ-CABCVRRESA-N -1 3 390.469 0.383 20 0 GCADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826185031 607835808 /nfs/dbraw/zinc/83/58/08/607835808.db2.gz WCRVSODNXBKFIU-NILFDRSVSA-N -1 3 398.423 0.888 20 0 GCADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000826185031 607835809 /nfs/dbraw/zinc/83/58/09/607835809.db2.gz WCRVSODNXBKFIU-NILFDRSVSA-N -1 3 398.423 0.888 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000825518304 607835937 /nfs/dbraw/zinc/83/59/37/607835937.db2.gz XJNVIIOBPRYTDQ-UHFFFAOYSA-N -1 3 397.395 0.913 20 0 GCADHM CCOC(=O)Cn1cccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000825518304 607835938 /nfs/dbraw/zinc/83/59/38/607835938.db2.gz XJNVIIOBPRYTDQ-UHFFFAOYSA-N -1 3 397.395 0.913 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl)S(C)(=O)=O ZINC000824420043 607836270 /nfs/dbraw/zinc/83/62/70/607836270.db2.gz FJYIHGYXZHZWPC-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@@H](CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl)S(C)(=O)=O ZINC000824420043 607836271 /nfs/dbraw/zinc/83/62/71/607836271.db2.gz FJYIHGYXZHZWPC-ZETCQYMHSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000824420659 607836315 /nfs/dbraw/zinc/83/63/15/607836315.db2.gz NPRDEDSKSGHBMH-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000824420659 607836316 /nfs/dbraw/zinc/83/63/16/607836316.db2.gz NPRDEDSKSGHBMH-SSDOTTSWSA-N -1 3 386.821 0.008 20 0 GCADHM COCC[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826154243 607836742 /nfs/dbraw/zinc/83/67/42/607836742.db2.gz LDUOBULRQFKWGN-MNOVXSKESA-N -1 3 383.430 0.502 20 0 GCADHM COCC[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826154243 607836743 /nfs/dbraw/zinc/83/67/43/607836743.db2.gz LDUOBULRQFKWGN-MNOVXSKESA-N -1 3 383.430 0.502 20 0 GCADHM O=C(NC1CC1)[C@@H]1CCCN1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826428561 607837820 /nfs/dbraw/zinc/83/78/20/607837820.db2.gz FLWWJNQBJZOQET-HNNXBMFYSA-N -1 3 385.428 0.698 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3ccc4cc(-c5nnn[n-]5)ccc4n3)CC2)C1 ZINC000826497152 607839374 /nfs/dbraw/zinc/83/93/74/607839374.db2.gz WDDLETWZDSMGAE-OAHLLOKOSA-N -1 3 399.480 0.724 20 0 GCADHM O=S1(=O)CC[C@@H](N2CCN(c3ccc4cc(-c5nn[n-]n5)ccc4n3)CC2)C1 ZINC000826497152 607839375 /nfs/dbraw/zinc/83/93/75/607839375.db2.gz WDDLETWZDSMGAE-OAHLLOKOSA-N -1 3 399.480 0.724 20 0 GCADHM O=C(CN1CCN(c2cnccc2-c2nnn[n-]2)CC1)NCc1ccccc1 ZINC000826411335 607840011 /nfs/dbraw/zinc/84/00/11/607840011.db2.gz VELUDWZJTZZAPC-UHFFFAOYSA-N -1 3 378.440 0.700 20 0 GCADHM O=C(CN1CCN(c2cnccc2-c2nn[n-]n2)CC1)NCc1ccccc1 ZINC000826411335 607840012 /nfs/dbraw/zinc/84/00/12/607840012.db2.gz VELUDWZJTZZAPC-UHFFFAOYSA-N -1 3 378.440 0.700 20 0 GCADHM O=c1ccc(C(F)(F)F)nn1C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826501913 607843426 /nfs/dbraw/zinc/84/34/26/607843426.db2.gz LZXICQDGFIEBKG-SNVBAGLBSA-N -1 3 382.302 0.882 20 0 GCADHM CN(CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825950744 607846279 /nfs/dbraw/zinc/84/62/79/607846279.db2.gz TZXGUWOAXPYCGI-CQSZACIVSA-N -1 3 380.412 0.612 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000823975281 607851786 /nfs/dbraw/zinc/85/17/86/607851786.db2.gz VZTSHLAZIXSVGL-CYBMUJFWSA-N -1 3 378.458 0.664 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000823975281 607851787 /nfs/dbraw/zinc/85/17/87/607851787.db2.gz VZTSHLAZIXSVGL-CYBMUJFWSA-N -1 3 378.458 0.664 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000823972711 607852558 /nfs/dbraw/zinc/85/25/58/607852558.db2.gz FPAUOLUBKLKNJE-NSHDSACASA-N -1 3 382.421 0.495 20 0 GCADHM CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000823972711 607852559 /nfs/dbraw/zinc/85/25/59/607852559.db2.gz FPAUOLUBKLKNJE-NSHDSACASA-N -1 3 382.421 0.495 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC000823973041 607852641 /nfs/dbraw/zinc/85/26/41/607852641.db2.gz HKTMTYZJXWUEJG-CYBMUJFWSA-N -1 3 378.458 0.664 20 0 GCADHM CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC000823973041 607852642 /nfs/dbraw/zinc/85/26/42/607852642.db2.gz HKTMTYZJXWUEJG-CYBMUJFWSA-N -1 3 378.458 0.664 20 0 GCADHM O=S(=O)(NC[C@]1(O)CCOC1)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826490469 607853916 /nfs/dbraw/zinc/85/39/16/607853916.db2.gz WPGCJYFEJCNVBU-GFCCVEGCSA-N -1 3 393.347 0.315 20 0 GCADHM O=S(=O)(NC[C@]1(O)CCOC1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826490469 607853917 /nfs/dbraw/zinc/85/39/17/607853917.db2.gz WPGCJYFEJCNVBU-GFCCVEGCSA-N -1 3 393.347 0.315 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nnn[n-]1)NC[C@]1(O)CCOC1 ZINC000826439084 607858558 /nfs/dbraw/zinc/85/85/58/607858558.db2.gz DSNQIOUQUKMKNK-MRXNPFEDSA-N -1 3 378.458 0.551 20 0 GCADHM O=C(NCCSCc1ccccc1-c1nn[n-]n1)NC[C@]1(O)CCOC1 ZINC000826439084 607858559 /nfs/dbraw/zinc/85/85/59/607858559.db2.gz DSNQIOUQUKMKNK-MRXNPFEDSA-N -1 3 378.458 0.551 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)[C@H]2C1 ZINC000826145256 607859128 /nfs/dbraw/zinc/85/91/28/607859128.db2.gz CMNMMPQHXLKKMI-IKGGRYGDSA-N -1 3 386.456 0.751 20 0 GCADHM CO[C@@H]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)[C@H]2C1 ZINC000826145256 607859129 /nfs/dbraw/zinc/85/91/29/607859129.db2.gz CMNMMPQHXLKKMI-IKGGRYGDSA-N -1 3 386.456 0.751 20 0 GCADHM CC(C)CN1CCO[C@H](CNC(=O)COc2cccc(F)c2-c2nnn[n-]2)C1 ZINC000824261875 607864005 /nfs/dbraw/zinc/86/40/05/607864005.db2.gz SODHETSVINNKHW-CYBMUJFWSA-N -1 3 392.435 0.858 20 0 GCADHM COc1cccc(C(N)=O)c1OC[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826215166 607872673 /nfs/dbraw/zinc/87/26/73/607872673.db2.gz IHWYZMAVURPRKI-LBPRGKRZSA-N -1 3 385.380 0.793 20 0 GCADHM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826481730 607876567 /nfs/dbraw/zinc/87/65/67/607876567.db2.gz GYPIRAPIPRRCBY-AWEZNQCLSA-N -1 3 378.348 0.836 20 0 GCADHM O=C(Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826481730 607876568 /nfs/dbraw/zinc/87/65/68/607876568.db2.gz GYPIRAPIPRRCBY-AWEZNQCLSA-N -1 3 378.348 0.836 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)co1 ZINC000533711233 607880896 /nfs/dbraw/zinc/88/08/96/607880896.db2.gz MALCJLHREWANLA-UHFFFAOYSA-N -1 3 376.398 0.640 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)co1 ZINC000533711233 607880897 /nfs/dbraw/zinc/88/08/97/607880897.db2.gz MALCJLHREWANLA-UHFFFAOYSA-N -1 3 376.398 0.640 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(CCOc2ccccc2-c2nnn[n-]2)C1=O ZINC000825176540 607893944 /nfs/dbraw/zinc/89/39/44/607893944.db2.gz XHUZXSIPLXDOLC-GOSISDBHSA-N -1 3 396.411 0.836 20 0 GCADHM CC[C@]1(c2cnn(C)c2)NC(=O)N(CCOc2ccccc2-c2nn[n-]n2)C1=O ZINC000825176540 607893945 /nfs/dbraw/zinc/89/39/45/607893945.db2.gz XHUZXSIPLXDOLC-GOSISDBHSA-N -1 3 396.411 0.836 20 0 GCADHM O=C(CN1C(=O)N[C@@]2(CCOC2)C1=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826409528 607894250 /nfs/dbraw/zinc/89/42/50/607894250.db2.gz DEXMHSVMAUBESW-OAHLLOKOSA-N -1 3 391.775 0.170 20 0 GCADHM O=C(CN1C(=O)N[C@@]2(CCOC2)C1=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826409528 607894251 /nfs/dbraw/zinc/89/42/51/607894251.db2.gz DEXMHSVMAUBESW-OAHLLOKOSA-N -1 3 391.775 0.170 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@H](S(N)(=O)=O)C1 ZINC000826268057 607898917 /nfs/dbraw/zinc/89/89/17/607898917.db2.gz IEXHZDACNCHAEJ-SNVBAGLBSA-N -1 3 377.405 0.730 20 0 GCADHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@H](S(N)(=O)=O)C1 ZINC000826268057 607898918 /nfs/dbraw/zinc/89/89/18/607898918.db2.gz IEXHZDACNCHAEJ-SNVBAGLBSA-N -1 3 377.405 0.730 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000825210314 607907153 /nfs/dbraw/zinc/90/71/53/607907153.db2.gz GLKPULCBCVNMAZ-TZMCWYRMSA-N -1 3 378.458 0.792 20 0 GCADHM CC[C@@H]1CN(C(C)=O)CC[C@H]1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000825210314 607907154 /nfs/dbraw/zinc/90/71/54/607907154.db2.gz GLKPULCBCVNMAZ-TZMCWYRMSA-N -1 3 378.458 0.792 20 0 GCADHM CC(C)C(=O)NCCCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824177757 607911848 /nfs/dbraw/zinc/91/18/48/607911848.db2.gz JYURLELELYVERI-UHFFFAOYSA-N -1 3 375.433 0.707 20 0 GCADHM COc1ccc(CNC(=O)NCC2CCS(=O)(=O)CC2)cc1-c1nnn[n-]1 ZINC000826200129 607912083 /nfs/dbraw/zinc/91/20/83/607912083.db2.gz ZQCNXFPEVDRBRH-UHFFFAOYSA-N -1 3 394.457 0.499 20 0 GCADHM COc1ccc(CNC(=O)NCC2CCS(=O)(=O)CC2)cc1-c1nn[n-]n1 ZINC000826200129 607912084 /nfs/dbraw/zinc/91/20/84/607912084.db2.gz ZQCNXFPEVDRBRH-UHFFFAOYSA-N -1 3 394.457 0.499 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823980955 607915014 /nfs/dbraw/zinc/91/50/14/607915014.db2.gz HORLEWDGMBYBSC-HZPDHXFCSA-N -1 3 398.423 0.916 20 0 GCADHM CC(=O)N1CCCC[C@@H]1C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823980955 607915015 /nfs/dbraw/zinc/91/50/15/607915015.db2.gz HORLEWDGMBYBSC-HZPDHXFCSA-N -1 3 398.423 0.916 20 0 GCADHM CCN1C(=O)[C@H]2CN(Cc3cccc(C(=O)OC)c3-c3nnn[n-]3)CCN2C1=O ZINC000825444945 607924254 /nfs/dbraw/zinc/92/42/54/607924254.db2.gz TXAMHHLXTUENSS-CYBMUJFWSA-N -1 3 399.411 0.122 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)co1 ZINC000825834531 607927291 /nfs/dbraw/zinc/92/72/91/607927291.db2.gz XRWWVYCWZJAVOP-UHFFFAOYSA-N -1 3 376.398 0.987 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)co1 ZINC000825834531 607927292 /nfs/dbraw/zinc/92/72/92/607927292.db2.gz XRWWVYCWZJAVOP-UHFFFAOYSA-N -1 3 376.398 0.987 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826067813 607928119 /nfs/dbraw/zinc/92/81/19/607928119.db2.gz LEVASMDUJJJROL-LBPRGKRZSA-N -1 3 375.437 0.134 20 0 GCADHM CNC(=O)[C@H](CC(C)C)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826067813 607928120 /nfs/dbraw/zinc/92/81/20/607928120.db2.gz LEVASMDUJJJROL-LBPRGKRZSA-N -1 3 375.437 0.134 20 0 GCADHM Cn1ccnc1[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826364161 607929641 /nfs/dbraw/zinc/92/96/41/607929641.db2.gz MVRDBNAMIBEHRB-JTQLQIEISA-N -1 3 384.375 0.694 20 0 GCADHM Cn1ccnc1[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826364161 607929642 /nfs/dbraw/zinc/92/96/42/607929642.db2.gz MVRDBNAMIBEHRB-JTQLQIEISA-N -1 3 384.375 0.694 20 0 GCADHM CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825565649 607933133 /nfs/dbraw/zinc/93/31/33/607933133.db2.gz XFTQHYDLWKHDEN-UHFFFAOYSA-N -1 3 389.397 0.518 20 0 GCADHM O=C1NCCc2ccc(S(=O)(=O)N3CCc4ccc(-c5nnn[n-]5)cc43)cc21 ZINC000826482798 607933528 /nfs/dbraw/zinc/93/35/28/607933528.db2.gz QOSNJZGOFMCIPN-UHFFFAOYSA-N -1 3 396.432 0.904 20 0 GCADHM O=C1NCCc2ccc(S(=O)(=O)N3CCc4ccc(-c5nn[n-]n5)cc43)cc21 ZINC000826482798 607933529 /nfs/dbraw/zinc/93/35/29/607933529.db2.gz QOSNJZGOFMCIPN-UHFFFAOYSA-N -1 3 396.432 0.904 20 0 GCADHM O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826495641 607934032 /nfs/dbraw/zinc/93/40/32/607934032.db2.gz VNSMLQDDQVZIHU-UHFFFAOYSA-N -1 3 395.408 0.594 20 0 GCADHM O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826495641 607934033 /nfs/dbraw/zinc/93/40/33/607934033.db2.gz VNSMLQDDQVZIHU-UHFFFAOYSA-N -1 3 395.408 0.594 20 0 GCADHM COC(=O)CN(C)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826138214 607937522 /nfs/dbraw/zinc/93/75/22/607937522.db2.gz KQASUGSAAMOLNY-UHFFFAOYSA-N -1 3 390.219 0.423 20 0 GCADHM COC(=O)CN(C)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826138214 607937523 /nfs/dbraw/zinc/93/75/23/607937523.db2.gz KQASUGSAAMOLNY-UHFFFAOYSA-N -1 3 390.219 0.423 20 0 GCADHM COC(=O)CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826138005 607937586 /nfs/dbraw/zinc/93/75/86/607937586.db2.gz BSJLUCTVHWVESU-UHFFFAOYSA-N -1 3 379.320 0.679 20 0 GCADHM Cn1cc([C@H](CO)NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000826358989 607938480 /nfs/dbraw/zinc/93/84/80/607938480.db2.gz QTEKIPQBGMJHOD-JTQLQIEISA-N -1 3 383.821 0.266 20 0 GCADHM O=C(Nc1cnn(CC(F)F)c1)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826459730 607944369 /nfs/dbraw/zinc/94/43/69/607944369.db2.gz XIZRSPZGLFZWDD-UHFFFAOYSA-N -1 3 388.338 0.856 20 0 GCADHM O=C(Nc1cnn(CC(F)F)c1)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826459730 607944370 /nfs/dbraw/zinc/94/43/70/607944370.db2.gz XIZRSPZGLFZWDD-UHFFFAOYSA-N -1 3 388.338 0.856 20 0 GCADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826452635 607944399 /nfs/dbraw/zinc/94/43/99/607944399.db2.gz AKQRHIMOLAUGLM-SSDOTTSWSA-N -1 3 376.270 0.374 20 0 GCADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H](CO)CC(F)(F)F ZINC000826452635 607944400 /nfs/dbraw/zinc/94/44/00/607944400.db2.gz AKQRHIMOLAUGLM-SSDOTTSWSA-N -1 3 376.270 0.374 20 0 GCADHM O=C(COc1ccccc1)NCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826418422 607946637 /nfs/dbraw/zinc/94/66/37/607946637.db2.gz GNNDALWOZVRXTD-UHFFFAOYSA-N -1 3 378.392 0.951 20 0 GCADHM O=C(COc1ccccc1)NCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826418422 607946638 /nfs/dbraw/zinc/94/66/38/607946638.db2.gz GNNDALWOZVRXTD-UHFFFAOYSA-N -1 3 378.392 0.951 20 0 GCADHM NS(=O)(=O)c1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cs1 ZINC000826394756 607947402 /nfs/dbraw/zinc/94/74/02/607947402.db2.gz XPPAKFBAKMIROZ-UHFFFAOYSA-N -1 3 376.423 0.779 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)n1cccn1 ZINC000824040577 607950582 /nfs/dbraw/zinc/95/05/82/607950582.db2.gz RNFBLEWIUQQBFK-GFCCVEGCSA-N -1 3 380.412 0.672 20 0 GCADHM C[C@H](C(=O)N(C)CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21)n1cccn1 ZINC000824040577 607950583 /nfs/dbraw/zinc/95/05/83/607950583.db2.gz RNFBLEWIUQQBFK-GFCCVEGCSA-N -1 3 380.412 0.672 20 0 GCADHM O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826420136 607950600 /nfs/dbraw/zinc/95/06/00/607950600.db2.gz ZWAXLRRCBRNJOB-LBPRGKRZSA-N -1 3 379.467 0.676 20 0 GCADHM O=C(CS[C@H]1CCS(=O)(=O)C1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826420136 607950601 /nfs/dbraw/zinc/95/06/01/607950601.db2.gz ZWAXLRRCBRNJOB-LBPRGKRZSA-N -1 3 379.467 0.676 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cn[nH]c1 ZINC000824640647 607956315 /nfs/dbraw/zinc/95/63/15/607956315.db2.gz MVRPZRQYQYFPDP-ZJUUUORDSA-N -1 3 390.429 0.134 20 0 GCADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cn[nH]c1 ZINC000824640647 607956316 /nfs/dbraw/zinc/95/63/16/607956316.db2.gz MVRPZRQYQYFPDP-ZJUUUORDSA-N -1 3 390.429 0.134 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN([C@H]3CCOC3)CC2)c(-c2nnn[n-]2)c1C ZINC000826342095 607957663 /nfs/dbraw/zinc/95/76/63/607957663.db2.gz YALORFKDMJBINN-JSGCOSHPSA-N -1 3 389.460 0.810 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCN([C@H]3CCOC3)CC2)c(-c2nn[n-]n2)c1C ZINC000826342095 607957664 /nfs/dbraw/zinc/95/76/64/607957664.db2.gz YALORFKDMJBINN-JSGCOSHPSA-N -1 3 389.460 0.810 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000826355305 607960075 /nfs/dbraw/zinc/96/00/75/607960075.db2.gz SSRSLLNWVPLSLL-LLVKDONJSA-N -1 3 386.393 0.589 20 0 GCADHM Cn1c(=O)cccc1C(=O)O[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000826355305 607960076 /nfs/dbraw/zinc/96/00/76/607960076.db2.gz SSRSLLNWVPLSLL-LLVKDONJSA-N -1 3 386.393 0.589 20 0 GCADHM O=C(COC(=O)[C@H]1CCc2n[nH]cc2C1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826415525 607960426 /nfs/dbraw/zinc/96/04/26/607960426.db2.gz JDQRURCHCROWOZ-ZDUSSCGKSA-N -1 3 381.396 0.554 20 0 GCADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)c2cnco2)nn1-c1ccccc1 ZINC000826394832 607969167 /nfs/dbraw/zinc/96/91/67/607969167.db2.gz AWSLYQJIKCOVRQ-UHFFFAOYSA-N -1 3 379.384 0.985 20 0 GCADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)c2cnco2)nn1-c1ccccc1 ZINC000826394832 607969168 /nfs/dbraw/zinc/96/91/68/607969168.db2.gz AWSLYQJIKCOVRQ-UHFFFAOYSA-N -1 3 379.384 0.985 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000825494042 607973173 /nfs/dbraw/zinc/97/31/73/607973173.db2.gz RGKCSUJLSSBLCF-AWEZNQCLSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000825494042 607973174 /nfs/dbraw/zinc/97/31/74/607973174.db2.gz RGKCSUJLSSBLCF-AWEZNQCLSA-N -1 3 395.441 0.503 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CCSC1 ZINC000826124538 607973379 /nfs/dbraw/zinc/97/33/79/607973379.db2.gz SZUZNKQOBXONAN-CQSZACIVSA-N -1 3 383.455 0.502 20 0 GCADHM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CCSC1 ZINC000826124538 607973380 /nfs/dbraw/zinc/97/33/80/607973380.db2.gz SZUZNKQOBXONAN-CQSZACIVSA-N -1 3 383.455 0.502 20 0 GCADHM C[C@H](Oc1cccc(OS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1)C(N)=O ZINC000824745142 607973920 /nfs/dbraw/zinc/97/39/20/607973920.db2.gz NEIVFBFJUDMOBK-JTQLQIEISA-N -1 3 389.393 0.887 20 0 GCADHM C[C@H](Oc1cccc(OS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1)C(N)=O ZINC000824745142 607973921 /nfs/dbraw/zinc/97/39/21/607973921.db2.gz NEIVFBFJUDMOBK-JTQLQIEISA-N -1 3 389.393 0.887 20 0 GCADHM Nc1ccc(Cl)nc1C(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826396413 607974500 /nfs/dbraw/zinc/97/45/00/607974500.db2.gz WZVABVXYHODFEA-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM Nc1ccc(Cl)nc1C(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826396413 607974501 /nfs/dbraw/zinc/97/45/01/607974501.db2.gz WZVABVXYHODFEA-UHFFFAOYSA-N -1 3 387.787 0.971 20 0 GCADHM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825663374 607974846 /nfs/dbraw/zinc/97/48/46/607974846.db2.gz MMPJRNVSSWQYRN-UHFFFAOYSA-N -1 3 377.423 0.061 20 0 GCADHM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825663028 607974939 /nfs/dbraw/zinc/97/49/39/607974939.db2.gz GUULNJNYFXJYCU-UHFFFAOYSA-N -1 3 393.878 0.575 20 0 GCADHM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825663367 607975108 /nfs/dbraw/zinc/97/51/08/607975108.db2.gz MJKBTNYOSQGDHA-UHFFFAOYSA-N -1 3 393.878 0.575 20 0 GCADHM CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825663367 607975109 /nfs/dbraw/zinc/97/51/09/607975109.db2.gz MJKBTNYOSQGDHA-UHFFFAOYSA-N -1 3 393.878 0.575 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000824109422 607976054 /nfs/dbraw/zinc/97/60/54/607976054.db2.gz PWULTWNYWOFSKD-LBPRGKRZSA-N -1 3 390.400 0.679 20 0 GCADHM CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000824109422 607976055 /nfs/dbraw/zinc/97/60/55/607976055.db2.gz PWULTWNYWOFSKD-LBPRGKRZSA-N -1 3 390.400 0.679 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)cn1C)Oc1ccc(F)cc1 ZINC000826103803 607976531 /nfs/dbraw/zinc/97/65/31/607976531.db2.gz KZRYPJHPFIABTH-CQSZACIVSA-N -1 3 388.359 0.695 20 0 GCADHM COC(=O)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)cn1C)Oc1ccc(F)cc1 ZINC000826103803 607976532 /nfs/dbraw/zinc/97/65/32/607976532.db2.gz KZRYPJHPFIABTH-CQSZACIVSA-N -1 3 388.359 0.695 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825799089 607980070 /nfs/dbraw/zinc/98/00/70/607980070.db2.gz CVPPFQBGMGKDED-AWEZNQCLSA-N -1 3 384.352 0.723 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825799089 607980071 /nfs/dbraw/zinc/98/00/71/607980071.db2.gz CVPPFQBGMGKDED-AWEZNQCLSA-N -1 3 384.352 0.723 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825799472 607980302 /nfs/dbraw/zinc/98/03/02/607980302.db2.gz LTOLTSIXXKKWST-AWEZNQCLSA-N -1 3 384.352 0.723 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825799472 607980303 /nfs/dbraw/zinc/98/03/03/607980303.db2.gz LTOLTSIXXKKWST-AWEZNQCLSA-N -1 3 384.352 0.723 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825799473 607980514 /nfs/dbraw/zinc/98/05/14/607980514.db2.gz LTOLTSIXXKKWST-CQSZACIVSA-N -1 3 384.352 0.723 20 0 GCADHM CCn1cc(C(=O)C(=O)O[C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825799473 607980515 /nfs/dbraw/zinc/98/05/15/607980515.db2.gz LTOLTSIXXKKWST-CQSZACIVSA-N -1 3 384.352 0.723 20 0 GCADHM Cn1ncc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1C(F)F ZINC000826365797 607981279 /nfs/dbraw/zinc/98/12/79/607981279.db2.gz DKHQRIARMILKJH-UHFFFAOYSA-N -1 3 376.327 0.793 20 0 GCADHM Cn1ncc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC000826365797 607981280 /nfs/dbraw/zinc/98/12/80/607981280.db2.gz DKHQRIARMILKJH-UHFFFAOYSA-N -1 3 376.327 0.793 20 0 GCADHM Cc1c(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cnn1C ZINC000826236205 607981804 /nfs/dbraw/zinc/98/18/04/607981804.db2.gz CEUDUEAGVFHKFR-UHFFFAOYSA-N -1 3 398.427 0.951 20 0 GCADHM Cc1c(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cnn1C ZINC000826236205 607981805 /nfs/dbraw/zinc/98/18/05/607981805.db2.gz CEUDUEAGVFHKFR-UHFFFAOYSA-N -1 3 398.427 0.951 20 0 GCADHM Cn1ncc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1C(F)F ZINC000826365949 607982329 /nfs/dbraw/zinc/98/23/29/607982329.db2.gz LNRUAYRTLBJIHZ-UHFFFAOYSA-N -1 3 394.317 0.932 20 0 GCADHM Cn1ncc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1C(F)F ZINC000826365949 607982330 /nfs/dbraw/zinc/98/23/30/607982330.db2.gz LNRUAYRTLBJIHZ-UHFFFAOYSA-N -1 3 394.317 0.932 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCC[C@H](C)CO ZINC000825621696 607982412 /nfs/dbraw/zinc/98/24/12/607982412.db2.gz XPMBAOGTFOIGHF-NSHDSACASA-N -1 3 376.417 0.729 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCC[C@H](C)CO ZINC000825621696 607982413 /nfs/dbraw/zinc/98/24/13/607982413.db2.gz XPMBAOGTFOIGHF-NSHDSACASA-N -1 3 376.417 0.729 20 0 GCADHM COc1ccc(CSCC(=O)N[C@H](C)C(=O)N(C)C)cc1-c1nnn[n-]1 ZINC000826207667 607984543 /nfs/dbraw/zinc/98/45/43/607984543.db2.gz XLNSXMUGPGPRBS-SNVBAGLBSA-N -1 3 378.458 0.701 20 0 GCADHM COc1ccc(CSCC(=O)N[C@H](C)C(=O)N(C)C)cc1-c1nn[n-]n1 ZINC000826207667 607984544 /nfs/dbraw/zinc/98/45/44/607984544.db2.gz XLNSXMUGPGPRBS-SNVBAGLBSA-N -1 3 378.458 0.701 20 0 GCADHM CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000825658134 607985317 /nfs/dbraw/zinc/98/53/17/607985317.db2.gz AJFGNPHSERJNMI-UHFFFAOYSA-N -1 3 380.430 0.007 20 0 GCADHM CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000825658134 607985318 /nfs/dbraw/zinc/98/53/18/607985318.db2.gz AJFGNPHSERJNMI-UHFFFAOYSA-N -1 3 380.430 0.007 20 0 GCADHM NC(=O)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncccc1-c1nnn[n-]1 ZINC000826391641 607987422 /nfs/dbraw/zinc/98/74/22/607987422.db2.gz UZJCLIVVKXGBCP-AWEZNQCLSA-N -1 3 380.412 0.277 20 0 GCADHM NC(=O)CCNC(=O)[C@H](Cc1ccccc1)Nc1ncccc1-c1nn[n-]n1 ZINC000826391641 607987423 /nfs/dbraw/zinc/98/74/23/607987423.db2.gz UZJCLIVVKXGBCP-AWEZNQCLSA-N -1 3 380.412 0.277 20 0 GCADHM CN(CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)[C@H]1CCNC1=O ZINC000825897862 607992936 /nfs/dbraw/zinc/99/29/36/607992936.db2.gz OVUZGGPOJOAQTD-NSHDSACASA-N -1 3 389.485 0.956 20 0 GCADHM CN(CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)[C@H]1CCNC1=O ZINC000825897862 607992937 /nfs/dbraw/zinc/99/29/37/607992937.db2.gz OVUZGGPOJOAQTD-NSHDSACASA-N -1 3 389.485 0.956 20 0 GCADHM O=C(N[C@H]1CCCc2c1cnn2CCO)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000826430980 607996599 /nfs/dbraw/zinc/99/65/99/607996599.db2.gz OPAVOTKGRFSLOQ-LBPRGKRZSA-N -1 3 388.819 0.911 20 0 GCADHM O=C(N[C@H]1CCCc2c1cnn2CCO)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826430980 607996600 /nfs/dbraw/zinc/99/66/00/607996600.db2.gz OPAVOTKGRFSLOQ-LBPRGKRZSA-N -1 3 388.819 0.911 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826494254 608001337 /nfs/dbraw/zinc/00/13/37/608001337.db2.gz USJZUCAQODEDGU-LLVKDONJSA-N -1 3 398.876 0.615 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000826494254 608001338 /nfs/dbraw/zinc/00/13/38/608001338.db2.gz USJZUCAQODEDGU-LLVKDONJSA-N -1 3 398.876 0.615 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000825523120 608001500 /nfs/dbraw/zinc/00/15/00/608001500.db2.gz MWWDTPCGIMPOCW-UHFFFAOYSA-N -1 3 398.420 0.610 20 0 GCADHM CCOC(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000825523120 608001501 /nfs/dbraw/zinc/00/15/01/608001501.db2.gz MWWDTPCGIMPOCW-UHFFFAOYSA-N -1 3 398.420 0.610 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826429165 608001776 /nfs/dbraw/zinc/00/17/76/608001776.db2.gz VUDSBIJCCHMQRP-CQSZACIVSA-N -1 3 394.432 0.579 20 0 GCADHM O=C(NC1CC1)[C@H]1CCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826429165 608001777 /nfs/dbraw/zinc/00/17/77/608001777.db2.gz VUDSBIJCCHMQRP-CQSZACIVSA-N -1 3 394.432 0.579 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824908919 608002098 /nfs/dbraw/zinc/00/20/98/608002098.db2.gz ROXMNYFPSURPAP-GXSJLCMTSA-N -1 3 382.421 0.421 20 0 GCADHM C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824908919 608002099 /nfs/dbraw/zinc/00/20/99/608002099.db2.gz ROXMNYFPSURPAP-GXSJLCMTSA-N -1 3 382.421 0.421 20 0 GCADHM C[C@@H](CO)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824436503 608005463 /nfs/dbraw/zinc/00/54/63/608005463.db2.gz SPYKKVZHWYTSHF-NEPJUHHUSA-N -1 3 396.473 0.058 20 0 GCADHM C[C@@H](CO)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824436503 608005464 /nfs/dbraw/zinc/00/54/64/608005464.db2.gz SPYKKVZHWYTSHF-NEPJUHHUSA-N -1 3 396.473 0.058 20 0 GCADHM COC(=O)[C@@]1(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)CCSC1 ZINC000826124855 608007470 /nfs/dbraw/zinc/00/74/70/608007470.db2.gz XIJORGKWUSDEOL-QLJPJBMISA-N -1 3 377.426 0.799 20 0 GCADHM COC[C@@H](NC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826150582 608008559 /nfs/dbraw/zinc/00/85/59/608008559.db2.gz HTXDWCUQUXYBEM-CYBMUJFWSA-N -1 3 386.368 0.269 20 0 GCADHM COC[C@@H](NC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826150582 608008560 /nfs/dbraw/zinc/00/85/60/608008560.db2.gz HTXDWCUQUXYBEM-CYBMUJFWSA-N -1 3 386.368 0.269 20 0 GCADHM COC[C@@H](NC(=O)c1cc(C2CC2)nc(SC)c1-c1nnn[n-]1)C(N)=O ZINC000826150735 608009495 /nfs/dbraw/zinc/00/94/95/608009495.db2.gz KRSCASPPMHLLHG-SNVBAGLBSA-N -1 3 377.430 0.091 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc(-n2ccnn2)cc1 ZINC000826438052 608024435 /nfs/dbraw/zinc/02/44/35/608024435.db2.gz KZXMZLIAKMVDLM-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc(-n2ccnn2)cc1 ZINC000826438052 608024436 /nfs/dbraw/zinc/02/44/36/608024436.db2.gz KZXMZLIAKMVDLM-UHFFFAOYSA-N -1 3 376.384 0.684 20 0 GCADHM C[C@@H](c1nnnn1-c1ccccc1)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824779540 608037035 /nfs/dbraw/zinc/03/70/35/608037035.db2.gz VYBXWRYBCYVUND-NSHDSACASA-N -1 3 394.447 0.773 20 0 GCADHM C[C@@H](c1nnnn1-c1ccccc1)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824779540 608037036 /nfs/dbraw/zinc/03/70/36/608037036.db2.gz VYBXWRYBCYVUND-NSHDSACASA-N -1 3 394.447 0.773 20 0 GCADHM COCCN(Cc1ccc(OC)c(-c2nnn[n-]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000826158915 608037412 /nfs/dbraw/zinc/03/74/12/608037412.db2.gz IOVBLIOGABVMFY-ZDUSSCGKSA-N -1 3 381.458 0.511 20 0 GCADHM COCCN(Cc1ccc(OC)c(-c2nn[n-]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000826158915 608037413 /nfs/dbraw/zinc/03/74/13/608037413.db2.gz IOVBLIOGABVMFY-ZDUSSCGKSA-N -1 3 381.458 0.511 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826432912 608037650 /nfs/dbraw/zinc/03/76/50/608037650.db2.gz PDAQHRCOLGNICV-UHFFFAOYSA-N -1 3 398.345 0.512 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000826432912 608037651 /nfs/dbraw/zinc/03/76/51/608037651.db2.gz PDAQHRCOLGNICV-UHFFFAOYSA-N -1 3 398.345 0.512 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000824633788 608038345 /nfs/dbraw/zinc/03/83/45/608038345.db2.gz QIYNJEYCNQETQU-GHMZBOCLSA-N -1 3 389.441 0.739 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000824633788 608038346 /nfs/dbraw/zinc/03/83/46/608038346.db2.gz QIYNJEYCNQETQU-GHMZBOCLSA-N -1 3 389.441 0.739 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825499726 608038650 /nfs/dbraw/zinc/03/86/50/608038650.db2.gz SLKWBHDBAMRXBK-VIFPVBQESA-N -1 3 378.364 0.650 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825499726 608038651 /nfs/dbraw/zinc/03/86/51/608038651.db2.gz SLKWBHDBAMRXBK-VIFPVBQESA-N -1 3 378.364 0.650 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000825499316 608038723 /nfs/dbraw/zinc/03/87/23/608038723.db2.gz KFRCMIKDQRUGRD-VIFPVBQESA-N -1 3 378.364 0.650 20 0 GCADHM CCOC(=O)C[C@H](C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000825499316 608038724 /nfs/dbraw/zinc/03/87/24/608038724.db2.gz KFRCMIKDQRUGRD-VIFPVBQESA-N -1 3 378.364 0.650 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N2CCC(S(N)(=O)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000826342051 608040566 /nfs/dbraw/zinc/04/05/66/608040566.db2.gz WOYLWKBTOGAXMK-VIFPVBQESA-N -1 3 397.461 0.156 20 0 GCADHM CN1CC[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826029978 608041244 /nfs/dbraw/zinc/04/12/44/608041244.db2.gz ZAOQBNRELBNMRZ-OCCSQVGLSA-N -1 3 387.835 0.673 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2cncc(F)c2)CC1 ZINC000826389087 608041423 /nfs/dbraw/zinc/04/14/23/608041423.db2.gz POALWEIDEFBZJS-MRXNPFEDSA-N -1 3 382.403 0.749 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cncc(F)c2)CC1 ZINC000826389087 608041424 /nfs/dbraw/zinc/04/14/24/608041424.db2.gz POALWEIDEFBZJS-MRXNPFEDSA-N -1 3 382.403 0.749 20 0 GCADHM O=S(=O)(CCN1CCOC[C@@H]1C(F)(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000826484435 608043963 /nfs/dbraw/zinc/04/39/63/608043963.db2.gz CSOWUDBFWGCTKR-GFCCVEGCSA-N -1 3 391.375 0.904 20 0 GCADHM O=S(=O)(CCN1CCOC[C@@H]1C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826484435 608043964 /nfs/dbraw/zinc/04/39/64/608043964.db2.gz CSOWUDBFWGCTKR-GFCCVEGCSA-N -1 3 391.375 0.904 20 0 GCADHM CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2Br)CC1 ZINC000826223285 608047323 /nfs/dbraw/zinc/04/73/23/608047323.db2.gz HSTCYVJBNFPLJO-UHFFFAOYSA-N -1 3 387.263 0.711 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826432338 608048960 /nfs/dbraw/zinc/04/89/60/608048960.db2.gz XYPWTGJJAUGRLI-UONOGXRCSA-N -1 3 392.441 0.137 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)C1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826432338 608048961 /nfs/dbraw/zinc/04/89/61/608048961.db2.gz XYPWTGJJAUGRLI-UONOGXRCSA-N -1 3 392.441 0.137 20 0 GCADHM CC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000823994739 608049960 /nfs/dbraw/zinc/04/99/60/608049960.db2.gz OIGSULUXYNCSPM-NSHDSACASA-N -1 3 381.234 0.971 20 0 GCADHM CN(C[C@@H](O)CN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1Br ZINC000825901879 608050784 /nfs/dbraw/zinc/05/07/84/608050784.db2.gz LGVRVEIGBNPAEE-GFCCVEGCSA-N -1 3 397.277 0.759 20 0 GCADHM CN(C[C@H](O)CN1CCOCC1)c1ccc(-c2nn[n-]n2)cc1Br ZINC000825901881 608050821 /nfs/dbraw/zinc/05/08/21/608050821.db2.gz LGVRVEIGBNPAEE-LBPRGKRZSA-N -1 3 397.277 0.759 20 0 GCADHM CCn1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000825804573 608056359 /nfs/dbraw/zinc/05/63/59/608056359.db2.gz DUROXEMHEROEKT-OAHLLOKOSA-N -1 3 389.441 0.845 20 0 GCADHM CCn1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000825804573 608056360 /nfs/dbraw/zinc/05/63/60/608056360.db2.gz DUROXEMHEROEKT-OAHLLOKOSA-N -1 3 389.441 0.845 20 0 GCADHM COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826104413 608057157 /nfs/dbraw/zinc/05/71/57/608057157.db2.gz WCVHRDPUYRIERM-QMMMGPOBSA-N -1 3 379.320 0.481 20 0 GCADHM CN(C)C(=O)CCCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825841302 608062009 /nfs/dbraw/zinc/06/20/09/608062009.db2.gz UWGIXNFKBAMFHZ-HNNXBMFYSA-N -1 3 387.444 0.818 20 0 GCADHM CN(C)C(=O)CCCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825841302 608062010 /nfs/dbraw/zinc/06/20/10/608062010.db2.gz UWGIXNFKBAMFHZ-HNNXBMFYSA-N -1 3 387.444 0.818 20 0 GCADHM CCCNC(=O)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825327949 608062107 /nfs/dbraw/zinc/06/21/07/608062107.db2.gz MWBGRCHQVQKGDD-OAHLLOKOSA-N -1 3 387.444 0.866 20 0 GCADHM CCCNC(=O)CCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825327949 608062108 /nfs/dbraw/zinc/06/21/08/608062108.db2.gz MWBGRCHQVQKGDD-OAHLLOKOSA-N -1 3 387.444 0.866 20 0 GCADHM CCS(=O)(=O)CCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825662714 608062630 /nfs/dbraw/zinc/06/26/30/608062630.db2.gz AYQRUFDCJWZBLO-AWEZNQCLSA-N -1 3 394.457 0.384 20 0 GCADHM CCS(=O)(=O)CCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825662714 608062631 /nfs/dbraw/zinc/06/26/31/608062631.db2.gz AYQRUFDCJWZBLO-AWEZNQCLSA-N -1 3 394.457 0.384 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824448664 608063282 /nfs/dbraw/zinc/06/32/82/608063282.db2.gz JUFZHRPYWIQCNR-RISCZKNCSA-N -1 3 394.457 0.383 20 0 GCADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824448664 608063283 /nfs/dbraw/zinc/06/32/83/608063283.db2.gz JUFZHRPYWIQCNR-RISCZKNCSA-N -1 3 394.457 0.383 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)C1=O ZINC000824297695 608063297 /nfs/dbraw/zinc/06/32/97/608063297.db2.gz ZAXKYPBANJSPIE-JKSUJKDBSA-N -1 3 399.455 0.959 20 0 GCADHM CC(C)N1CC[C@H](NC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)C1=O ZINC000824297695 608063298 /nfs/dbraw/zinc/06/32/98/608063298.db2.gz ZAXKYPBANJSPIE-JKSUJKDBSA-N -1 3 399.455 0.959 20 0 GCADHM NC(=O)c1ccc(CNC(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)o1 ZINC000826393078 608064756 /nfs/dbraw/zinc/06/47/56/608064756.db2.gz ATYVLVLTTSGVMF-OAHLLOKOSA-N -1 3 397.395 0.842 20 0 GCADHM NC(=O)c1ccc(CNC(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)o1 ZINC000826393078 608064757 /nfs/dbraw/zinc/06/47/57/608064757.db2.gz ATYVLVLTTSGVMF-OAHLLOKOSA-N -1 3 397.395 0.842 20 0 GCADHM CNC(=O)C(C)(C)CNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826050748 608065463 /nfs/dbraw/zinc/06/54/63/608065463.db2.gz CCIYCBZBWOIVJM-CQSZACIVSA-N -1 3 387.444 0.722 20 0 GCADHM CNC(=O)C(C)(C)CNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826050748 608065464 /nfs/dbraw/zinc/06/54/64/608065464.db2.gz CCIYCBZBWOIVJM-CQSZACIVSA-N -1 3 387.444 0.722 20 0 GCADHM NC(=O)c1cc(CNC(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)on1 ZINC000826393051 608065803 /nfs/dbraw/zinc/06/58/03/608065803.db2.gz ZNVPBAHJMKYDBX-AWEZNQCLSA-N -1 3 398.383 0.237 20 0 GCADHM NC(=O)c1cc(CNC(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)on1 ZINC000826393051 608065804 /nfs/dbraw/zinc/06/58/04/608065804.db2.gz ZNVPBAHJMKYDBX-AWEZNQCLSA-N -1 3 398.383 0.237 20 0 GCADHM CCN1CCN(C(=O)[C@H](C)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC000825458669 608067191 /nfs/dbraw/zinc/06/71/91/608067191.db2.gz DBDTUBMKWDKNCN-YJBOKZPZSA-N -1 3 399.499 0.793 20 0 GCADHM COCCS(=O)(=O)CCCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826163549 608068828 /nfs/dbraw/zinc/06/88/28/608068828.db2.gz ZJBYXNYQOVRTIC-INIZCTEOSA-N -1 3 395.485 0.691 20 0 GCADHM COCCS(=O)(=O)CCCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826163549 608068829 /nfs/dbraw/zinc/06/88/29/608068829.db2.gz ZJBYXNYQOVRTIC-INIZCTEOSA-N -1 3 395.485 0.691 20 0 GCADHM COC[C@H](C)NC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826148234 608072445 /nfs/dbraw/zinc/07/24/45/608072445.db2.gz CSOGKWKZMSBQPF-JTQLQIEISA-N -1 3 398.427 0.759 20 0 GCADHM Cc1conc1NC(=O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826320279 608074734 /nfs/dbraw/zinc/07/47/34/608074734.db2.gz LKOGWTOLQXCENL-ZDUSSCGKSA-N -1 3 383.368 0.702 20 0 GCADHM Cc1conc1NC(=O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826320279 608074735 /nfs/dbraw/zinc/07/47/35/608074735.db2.gz LKOGWTOLQXCENL-ZDUSSCGKSA-N -1 3 383.368 0.702 20 0 GCADHM Cn1nccc1NC(=O)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826367146 608075016 /nfs/dbraw/zinc/07/50/16/608075016.db2.gz NUDQPRAVPJLCNL-CYBMUJFWSA-N -1 3 382.384 0.139 20 0 GCADHM Cn1nccc1NC(=O)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826367146 608075017 /nfs/dbraw/zinc/07/50/17/608075017.db2.gz NUDQPRAVPJLCNL-CYBMUJFWSA-N -1 3 382.384 0.139 20 0 GCADHM C[C@@H]1CC[C@@H](COC(=O)CS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)O1 ZINC000824908169 608076364 /nfs/dbraw/zinc/07/63/64/608076364.db2.gz MYCNFKKYNAEGCB-RISCZKNCSA-N -1 3 380.426 0.892 20 0 GCADHM C[C@@H]1CC[C@@H](COC(=O)CS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000824908169 608076365 /nfs/dbraw/zinc/07/63/65/608076365.db2.gz MYCNFKKYNAEGCB-RISCZKNCSA-N -1 3 380.426 0.892 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000824906184 608076939 /nfs/dbraw/zinc/07/69/39/608076939.db2.gz AXKRRAPXZRIUSX-NTZNESFSSA-N -1 3 395.441 0.644 20 0 GCADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CC[C@@H](C)O1 ZINC000824906184 608076940 /nfs/dbraw/zinc/07/69/40/608076940.db2.gz AXKRRAPXZRIUSX-NTZNESFSSA-N -1 3 395.441 0.644 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(=O)C(C)(C)C ZINC000824633390 608078719 /nfs/dbraw/zinc/07/87/19/608078719.db2.gz MEXQSFKEWVGPRX-JTQLQIEISA-N -1 3 394.457 0.265 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)C(C)(C)C ZINC000824633390 608078720 /nfs/dbraw/zinc/07/87/20/608078720.db2.gz MEXQSFKEWVGPRX-JTQLQIEISA-N -1 3 394.457 0.265 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826398840 608084267 /nfs/dbraw/zinc/08/42/67/608084267.db2.gz HEEWSEYMAJIAGJ-KBPBESRZSA-N -1 3 377.426 0.201 20 0 GCADHM O=C([C@H]1CCS(=O)(=O)C1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826398840 608084268 /nfs/dbraw/zinc/08/42/68/608084268.db2.gz HEEWSEYMAJIAGJ-KBPBESRZSA-N -1 3 377.426 0.201 20 0 GCADHM CS[C@@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1N(C)C ZINC000826226969 608087826 /nfs/dbraw/zinc/08/78/26/608087826.db2.gz JGWYFWSHCFOYLX-HUUCEWRRSA-N -1 3 396.542 0.618 20 0 GCADHM O=C(Cc1nc2ncccn2n1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826424136 608088959 /nfs/dbraw/zinc/08/89/59/608088959.db2.gz XMGLZRYPFZTGEA-CQSZACIVSA-N -1 3 391.395 0.447 20 0 GCADHM O=C(Cc1nc2ncccn2n1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826424136 608088960 /nfs/dbraw/zinc/08/89/60/608088960.db2.gz XMGLZRYPFZTGEA-CQSZACIVSA-N -1 3 391.395 0.447 20 0 GCADHM COc1ncnc(OC)c1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826222038 608089615 /nfs/dbraw/zinc/08/96/15/608089615.db2.gz FLNMACZPNDUVKD-CYBMUJFWSA-N -1 3 397.395 0.888 20 0 GCADHM COc1ncnc(OC)c1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826222038 608089616 /nfs/dbraw/zinc/08/96/16/608089616.db2.gz FLNMACZPNDUVKD-CYBMUJFWSA-N -1 3 397.395 0.888 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826473854 608090755 /nfs/dbraw/zinc/09/07/55/608090755.db2.gz RCMLVJGRTNCMMY-CQSZACIVSA-N -1 3 377.368 0.518 20 0 GCADHM O=C(c1ccc2nnnn2c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473854 608090756 /nfs/dbraw/zinc/09/07/56/608090756.db2.gz RCMLVJGRTNCMMY-CQSZACIVSA-N -1 3 377.368 0.518 20 0 GCADHM CNC(=O)[C@H](NC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)C(C)C ZINC000826053784 608091229 /nfs/dbraw/zinc/09/12/29/608091229.db2.gz ZHOSKSRQDPYGDN-HUUCEWRRSA-N -1 3 387.444 0.720 20 0 GCADHM CNC(=O)[C@H](NC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)C(C)C ZINC000826053784 608091230 /nfs/dbraw/zinc/09/12/30/608091230.db2.gz ZHOSKSRQDPYGDN-HUUCEWRRSA-N -1 3 387.444 0.720 20 0 GCADHM O=S(=O)(CCn1cnc(-c2ccccn2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826485509 608091464 /nfs/dbraw/zinc/09/14/64/608091464.db2.gz SYMCTIKEUFGJRQ-UHFFFAOYSA-N -1 3 382.409 0.994 20 0 GCADHM O=S(=O)(CCn1cnc(-c2ccccn2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826485509 608091465 /nfs/dbraw/zinc/09/14/65/608091465.db2.gz SYMCTIKEUFGJRQ-UHFFFAOYSA-N -1 3 382.409 0.994 20 0 GCADHM C[C@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824713642 608101026 /nfs/dbraw/zinc/10/10/26/608101026.db2.gz JIHTWRKVAZQSHB-QWRGUYRKSA-N -1 3 387.400 0.528 20 0 GCADHM C[C@H](OC(=O)[C@H]1CCCN(C(N)=O)C1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824713642 608101027 /nfs/dbraw/zinc/10/10/27/608101027.db2.gz JIHTWRKVAZQSHB-QWRGUYRKSA-N -1 3 387.400 0.528 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000823974268 608102742 /nfs/dbraw/zinc/10/27/42/608102742.db2.gz OUNXKYGOSQJXCL-SNVBAGLBSA-N -1 3 378.414 0.668 20 0 GCADHM CC(=O)N1CCC[C@@H](C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000823974268 608102743 /nfs/dbraw/zinc/10/27/43/608102743.db2.gz OUNXKYGOSQJXCL-SNVBAGLBSA-N -1 3 378.414 0.668 20 0 GCADHM NC(=O)N[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nnn[n-]4)cn3)cc2)C1 ZINC000826392334 608103662 /nfs/dbraw/zinc/10/36/62/608103662.db2.gz UWMBRRAELPJAED-CYBMUJFWSA-N -1 3 394.395 0.937 20 0 GCADHM NC(=O)N[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(-c4nn[n-]n4)cn3)cc2)C1 ZINC000826392334 608103663 /nfs/dbraw/zinc/10/36/63/608103663.db2.gz UWMBRRAELPJAED-CYBMUJFWSA-N -1 3 394.395 0.937 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@@H](NC(N)=O)C1 ZINC000824053246 608104320 /nfs/dbraw/zinc/10/43/20/608104320.db2.gz WUZGMJRGLACHKH-DTWKUNHWSA-N -1 3 390.473 0.487 20 0 GCADHM C[C@@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@@H](NC(N)=O)C1 ZINC000824053246 608104321 /nfs/dbraw/zinc/10/43/21/608104321.db2.gz WUZGMJRGLACHKH-DTWKUNHWSA-N -1 3 390.473 0.487 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2)N1CC[C@H](NC(N)=O)C1 ZINC000824053235 608104353 /nfs/dbraw/zinc/10/43/53/608104353.db2.gz WUZGMJRGLACHKH-BDAKNGLRSA-N -1 3 390.473 0.487 20 0 GCADHM C[C@H](C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2)N1CC[C@H](NC(N)=O)C1 ZINC000824053235 608104354 /nfs/dbraw/zinc/10/43/54/608104354.db2.gz WUZGMJRGLACHKH-BDAKNGLRSA-N -1 3 390.473 0.487 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCCOc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826394718 608104783 /nfs/dbraw/zinc/10/47/83/608104783.db2.gz VPDCKVWPFPVYQH-UHFFFAOYSA-N -1 3 390.381 0.145 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCCOc2ccccc2-c2nnn[n-]2)cn1 ZINC000826394329 608104806 /nfs/dbraw/zinc/10/48/06/608104806.db2.gz GHCBCOGEXOMJGR-UHFFFAOYSA-N -1 3 390.381 0.145 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCCOc2ccccc2-c2nn[n-]n2)cn1 ZINC000826394329 608104807 /nfs/dbraw/zinc/10/48/07/608104807.db2.gz GHCBCOGEXOMJGR-UHFFFAOYSA-N -1 3 390.381 0.145 20 0 GCADHM NS(=O)(=O)c1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000826394472 608104833 /nfs/dbraw/zinc/10/48/33/608104833.db2.gz LIMNQPQVFZPTKC-UHFFFAOYSA-N -1 3 378.345 0.405 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC[C@H](NC(N)=O)C1 ZINC000824047143 608105370 /nfs/dbraw/zinc/10/53/70/608105370.db2.gz YAEIMGBBDLASAT-SCZZXKLOSA-N -1 3 378.824 0.590 20 0 GCADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC[C@H](NC(N)=O)C1 ZINC000824047143 608105371 /nfs/dbraw/zinc/10/53/71/608105371.db2.gz YAEIMGBBDLASAT-SCZZXKLOSA-N -1 3 378.824 0.590 20 0 GCADHM C[C@@H]1CN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000824977873 608105450 /nfs/dbraw/zinc/10/54/50/608105450.db2.gz SNVRUEVCMGWWDU-ZWNOBZJWSA-N -1 3 383.378 0.962 20 0 GCADHM C[C@@H]1CN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000824977873 608105451 /nfs/dbraw/zinc/10/54/51/608105451.db2.gz SNVRUEVCMGWWDU-ZWNOBZJWSA-N -1 3 383.378 0.962 20 0 GCADHM C[C@H]1CN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CCN1CC(F)(F)F ZINC000824977871 608105620 /nfs/dbraw/zinc/10/56/20/608105620.db2.gz SNVRUEVCMGWWDU-GXFFZTMASA-N -1 3 383.378 0.962 20 0 GCADHM C[C@H]1CN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CCN1CC(F)(F)F ZINC000824977871 608105621 /nfs/dbraw/zinc/10/56/21/608105621.db2.gz SNVRUEVCMGWWDU-GXFFZTMASA-N -1 3 383.378 0.962 20 0 GCADHM CCc1nnc([C@@H](C)NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)[nH]1 ZINC000825740358 608108355 /nfs/dbraw/zinc/10/83/55/608108355.db2.gz STZAFZYMHUSGFX-SECBINFHSA-N -1 3 393.415 0.806 20 0 GCADHM O=C1OCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)CCN12 ZINC000799795730 608111457 /nfs/dbraw/zinc/11/14/57/608111457.db2.gz GSCVVTGDNJWGNJ-SECBINFHSA-N -1 3 398.832 0.735 20 0 GCADHM O=C1OCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)CCN12 ZINC000799795730 608111458 /nfs/dbraw/zinc/11/14/58/608111458.db2.gz GSCVVTGDNJWGNJ-SECBINFHSA-N -1 3 398.832 0.735 20 0 GCADHM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825897875 608111669 /nfs/dbraw/zinc/11/16/69/608111669.db2.gz PIFYQKKRHIDIAX-UHFFFAOYSA-N -1 3 391.450 0.450 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826279717 608111680 /nfs/dbraw/zinc/11/16/80/608111680.db2.gz ZEFTXVGQTWAWNT-GFCCVEGCSA-N -1 3 378.414 0.390 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826279717 608111681 /nfs/dbraw/zinc/11/16/81/608111681.db2.gz ZEFTXVGQTWAWNT-GFCCVEGCSA-N -1 3 378.414 0.390 20 0 GCADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826255907 608111742 /nfs/dbraw/zinc/11/17/42/608111742.db2.gz OFTHOWUYNILEHP-GFCCVEGCSA-N -1 3 378.414 0.390 20 0 GCADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826255907 608111743 /nfs/dbraw/zinc/11/17/43/608111743.db2.gz OFTHOWUYNILEHP-GFCCVEGCSA-N -1 3 378.414 0.390 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000826279174 608111791 /nfs/dbraw/zinc/11/17/91/608111791.db2.gz IBVOWAOVBCSOBJ-KGLIPLIRSA-N -1 3 390.469 0.854 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000826279174 608111792 /nfs/dbraw/zinc/11/17/92/608111792.db2.gz IBVOWAOVBCSOBJ-KGLIPLIRSA-N -1 3 390.469 0.854 20 0 GCADHM O=C1C[C@H]([C@H]2CCCCN2S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CN1 ZINC000826478828 608111819 /nfs/dbraw/zinc/11/18/19/608111819.db2.gz KHFMIYJCOFCRML-IINYFYTJSA-N -1 3 394.432 0.685 20 0 GCADHM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CN1 ZINC000826479142 608111856 /nfs/dbraw/zinc/11/18/56/608111856.db2.gz RJZMOWYBFBDCQA-YPMHNXCESA-N -1 3 394.432 0.685 20 0 GCADHM O=C1C[C@@H]([C@@H]2CCCCN2S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CN1 ZINC000826479142 608111857 /nfs/dbraw/zinc/11/18/57/608111857.db2.gz RJZMOWYBFBDCQA-YPMHNXCESA-N -1 3 394.432 0.685 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN3C(=O)OCC[C@H]3C2)c1-c1nnn[n-]1 ZINC000826301431 608111869 /nfs/dbraw/zinc/11/18/69/608111869.db2.gz DYPVIDOKHSURKI-NSHDSACASA-N -1 3 378.414 0.390 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCN3C(=O)OCC[C@H]3C2)c1-c1nn[n-]n1 ZINC000826301431 608111870 /nfs/dbraw/zinc/11/18/70/608111870.db2.gz DYPVIDOKHSURKI-NSHDSACASA-N -1 3 378.414 0.390 20 0 GCADHM O=C1C[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccccc2-c2nnn[n-]2)CN1 ZINC000826479066 608111888 /nfs/dbraw/zinc/11/18/88/608111888.db2.gz PSOCDPSLLPFAHZ-AAEUAGOBSA-N -1 3 376.442 0.546 20 0 GCADHM O=C1C[C@H]([C@@H]2CCCCN2S(=O)(=O)c2ccccc2-c2nn[n-]n2)CN1 ZINC000826479066 608111889 /nfs/dbraw/zinc/11/18/89/608111889.db2.gz PSOCDPSLLPFAHZ-AAEUAGOBSA-N -1 3 376.442 0.546 20 0 GCADHM O=C1OCC[C@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)CCN12 ZINC000826483321 608112012 /nfs/dbraw/zinc/11/20/12/608112012.db2.gz JMGKKKSONLPSRY-VIFPVBQESA-N -1 3 382.377 0.221 20 0 GCADHM Cc1nc(SCC(=O)OCC2(CO)COC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327914 608115731 /nfs/dbraw/zinc/11/57/31/608115731.db2.gz ZKHQQAMNEUUVCZ-UHFFFAOYSA-N -1 3 379.442 0.831 20 0 GCADHM Cc1nc(SCC(=O)OCC2(CO)COC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327914 608115732 /nfs/dbraw/zinc/11/57/32/608115732.db2.gz ZKHQQAMNEUUVCZ-UHFFFAOYSA-N -1 3 379.442 0.831 20 0 GCADHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000826159214 608116162 /nfs/dbraw/zinc/11/61/62/608116162.db2.gz WVYKPBXIAFDCFB-UHFFFAOYSA-N -1 3 383.412 0.856 20 0 GCADHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nc(C)c(C)[nH]c1=O ZINC000826159214 608116163 /nfs/dbraw/zinc/11/61/63/608116163.db2.gz WVYKPBXIAFDCFB-UHFFFAOYSA-N -1 3 383.412 0.856 20 0 GCADHM CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)Cc2ccccc21 ZINC000826223743 608116873 /nfs/dbraw/zinc/11/68/73/608116873.db2.gz YNFDPANXKORUAT-UHFFFAOYSA-N -1 3 399.436 0.684 20 0 GCADHM CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)Cc2ccccc21 ZINC000826223743 608116874 /nfs/dbraw/zinc/11/68/74/608116874.db2.gz YNFDPANXKORUAT-UHFFFAOYSA-N -1 3 399.436 0.684 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)c1-c1nnn[n-]1 ZINC000826298631 608117714 /nfs/dbraw/zinc/11/77/14/608117714.db2.gz BERUHAZUUJJHQA-LLVKDONJSA-N -1 3 385.384 0.167 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)c1-c1nn[n-]n1 ZINC000826298631 608117715 /nfs/dbraw/zinc/11/77/15/608117715.db2.gz BERUHAZUUJJHQA-LLVKDONJSA-N -1 3 385.384 0.167 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826456171 608117850 /nfs/dbraw/zinc/11/78/50/608117850.db2.gz STQMXCHJFGIUQL-UHFFFAOYSA-N -1 3 391.391 0.634 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000826456171 608117851 /nfs/dbraw/zinc/11/78/51/608117851.db2.gz STQMXCHJFGIUQL-UHFFFAOYSA-N -1 3 391.391 0.634 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCC2(COC(=O)N2)CC1 ZINC000826481651 608124932 /nfs/dbraw/zinc/12/49/32/608124932.db2.gz DPIZIZMYSJZUPB-OAHLLOKOSA-N -1 3 397.439 0.937 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCN1c1cccnc1 ZINC000826476449 608125353 /nfs/dbraw/zinc/12/53/53/608125353.db2.gz HWQCOILHZMAIMW-HNNXBMFYSA-N -1 3 399.436 0.736 20 0 GCADHM O=C1[C@@H](NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCN1c1cccnc1 ZINC000826476449 608125354 /nfs/dbraw/zinc/12/53/54/608125354.db2.gz HWQCOILHZMAIMW-HNNXBMFYSA-N -1 3 399.436 0.736 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCCN1c1cccnc1 ZINC000826476839 608125481 /nfs/dbraw/zinc/12/54/81/608125481.db2.gz QBPCENMZEPNOCV-OAHLLOKOSA-N -1 3 399.436 0.736 20 0 GCADHM O=C1[C@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCCN1c1cccnc1 ZINC000826476839 608125482 /nfs/dbraw/zinc/12/54/82/608125482.db2.gz QBPCENMZEPNOCV-OAHLLOKOSA-N -1 3 399.436 0.736 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC3(COC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC000826301423 608125593 /nfs/dbraw/zinc/12/55/93/608125593.db2.gz DVJUQACQDQNKOC-UHFFFAOYSA-N -1 3 378.414 0.438 20 0 GCADHM Cc1cccc(S(=O)(=O)N2CCC3(COC(=O)N3)CC2)c1-c1nn[n-]n1 ZINC000826301423 608125594 /nfs/dbraw/zinc/12/55/94/608125594.db2.gz DVJUQACQDQNKOC-UHFFFAOYSA-N -1 3 378.414 0.438 20 0 GCADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000824450780 608130154 /nfs/dbraw/zinc/13/01/54/608130154.db2.gz ZXFJXMAFEYKHOC-DQQVXTMASA-N -1 3 395.464 0.604 20 0 GCADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000824450780 608130155 /nfs/dbraw/zinc/13/01/55/608130155.db2.gz ZXFJXMAFEYKHOC-DQQVXTMASA-N -1 3 395.464 0.604 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1nc2nccc(C)n2n1 ZINC000826162086 608139186 /nfs/dbraw/zinc/13/91/86/608139186.db2.gz MOITZJWFXRTBLK-UHFFFAOYSA-N -1 3 395.383 0.890 20 0 GCADHM CCOC(=O)[C@H](C)[C@H](C)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000825485814 608139645 /nfs/dbraw/zinc/13/96/45/608139645.db2.gz JSHRABJAKZGAEZ-MNOVXSKESA-N -1 3 377.401 0.958 20 0 GCADHM CCOC(=O)[C@H](C)[C@H](C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000825485814 608139646 /nfs/dbraw/zinc/13/96/46/608139646.db2.gz JSHRABJAKZGAEZ-MNOVXSKESA-N -1 3 377.401 0.958 20 0 GCADHM CC[C@H](CCO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825115326 608140352 /nfs/dbraw/zinc/14/03/52/608140352.db2.gz WNOLWERDCTXNGC-GFCCVEGCSA-N -1 3 392.416 0.108 20 0 GCADHM CC[C@H](CCO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825115326 608140353 /nfs/dbraw/zinc/14/03/53/608140353.db2.gz WNOLWERDCTXNGC-GFCCVEGCSA-N -1 3 392.416 0.108 20 0 GCADHM CCN(CC)S(=O)(=O)CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825415856 608142443 /nfs/dbraw/zinc/14/24/43/608142443.db2.gz DQWDQQWAGHYQIR-UHFFFAOYSA-N -1 3 383.430 0.460 20 0 GCADHM CC(C)(C)OC(=O)CNC(=O)COC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824100553 608143131 /nfs/dbraw/zinc/14/31/31/608143131.db2.gz UWCWSGSNYOECTO-UHFFFAOYSA-N -1 3 391.384 0.247 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)cc1-c1nnn[n-]1 ZINC000824449312 608144583 /nfs/dbraw/zinc/14/45/83/608144583.db2.gz NRLXCQLYZPKIHZ-GFVXYOJSSA-N -1 3 394.457 0.476 20 0 GCADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)cc1-c1nn[n-]n1 ZINC000824449312 608144584 /nfs/dbraw/zinc/14/45/84/608144584.db2.gz NRLXCQLYZPKIHZ-GFVXYOJSSA-N -1 3 394.457 0.476 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000824449910 608144622 /nfs/dbraw/zinc/14/46/22/608144622.db2.gz QOZPAJKNPGQUJA-FLESLCNUSA-N -1 3 394.457 0.476 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000824449910 608144623 /nfs/dbraw/zinc/14/46/23/608144623.db2.gz QOZPAJKNPGQUJA-FLESLCNUSA-N -1 3 394.457 0.476 20 0 GCADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)C[S@@](C)=O ZINC000825621644 608144770 /nfs/dbraw/zinc/14/47/70/608144770.db2.gz WIALPEUGBFMFEK-ZJJDNZPOSA-N -1 3 380.430 0.087 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)C[S@@](C)=O ZINC000825621644 608144771 /nfs/dbraw/zinc/14/47/71/608144771.db2.gz WIALPEUGBFMFEK-ZJJDNZPOSA-N -1 3 380.430 0.087 20 0 GCADHM O=C(NCC[C@@H]1CCOC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826436039 608145614 /nfs/dbraw/zinc/14/56/14/608145614.db2.gz FXXPBPJNBLCFDD-SECBINFHSA-N -1 3 396.354 0.949 20 0 GCADHM O=C(NCC[C@@H]1CCOC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826436039 608145615 /nfs/dbraw/zinc/14/56/15/608145615.db2.gz FXXPBPJNBLCFDD-SECBINFHSA-N -1 3 396.354 0.949 20 0 GCADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC1(CO)CCC1 ZINC000824319500 608146144 /nfs/dbraw/zinc/14/61/44/608146144.db2.gz SKRLJUWHUXGXRM-UHFFFAOYSA-N -1 3 388.428 0.871 20 0 GCADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1(CO)CCC1 ZINC000824319500 608146145 /nfs/dbraw/zinc/14/61/45/608146145.db2.gz SKRLJUWHUXGXRM-UHFFFAOYSA-N -1 3 388.428 0.871 20 0 GCADHM O=C(NC[C@H](O)CCc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826433147 608146458 /nfs/dbraw/zinc/14/64/58/608146458.db2.gz WOYOSAXULXMHBJ-MRXNPFEDSA-N -1 3 380.408 0.915 20 0 GCADHM O=C(NC[C@H](O)CCc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826433147 608146459 /nfs/dbraw/zinc/14/64/59/608146459.db2.gz WOYOSAXULXMHBJ-MRXNPFEDSA-N -1 3 380.408 0.915 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC(=O)N(Cc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000826394524 608147385 /nfs/dbraw/zinc/14/73/85/608147385.db2.gz NDQZPZQUPUJUHG-UHFFFAOYSA-N -1 3 399.436 0.320 20 0 GCADHM NS(=O)(=O)c1ccc(N2CC(=O)N(Cc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000826394524 608147387 /nfs/dbraw/zinc/14/73/87/608147387.db2.gz NDQZPZQUPUJUHG-UHFFFAOYSA-N -1 3 399.436 0.320 20 0 GCADHM CCN(CC(=O)NC)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000825395114 608154347 /nfs/dbraw/zinc/15/43/47/608154347.db2.gz KYUIOFVHPWIQCG-SECBINFHSA-N -1 3 377.474 0.812 20 0 GCADHM CCN(CC(=O)NC)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000825395114 608154348 /nfs/dbraw/zinc/15/43/48/608154348.db2.gz KYUIOFVHPWIQCG-SECBINFHSA-N -1 3 377.474 0.812 20 0 GCADHM O=C(Nc1ccncc1-c1nnn[n-]1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000826458894 608158932 /nfs/dbraw/zinc/15/89/32/608158932.db2.gz LPYSQJAKPATJQX-VIFPVBQESA-N -1 3 385.334 0.953 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000826458894 608158934 /nfs/dbraw/zinc/15/89/34/608158934.db2.gz LPYSQJAKPATJQX-VIFPVBQESA-N -1 3 385.334 0.953 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825476517 608163248 /nfs/dbraw/zinc/16/32/48/608163248.db2.gz MJRQGWAEXLLFQE-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825476517 608163249 /nfs/dbraw/zinc/16/32/49/608163249.db2.gz MJRQGWAEXLLFQE-RISCZKNCSA-N -1 3 393.473 0.651 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)CCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000825583951 608164737 /nfs/dbraw/zinc/16/47/37/608164737.db2.gz YTKSSNSVJYZFGK-NSHDSACASA-N -1 3 382.446 0.767 20 0 GCADHM CCOC[C@@H](C(=O)OC)N(C)CCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000825583951 608164738 /nfs/dbraw/zinc/16/47/38/608164738.db2.gz YTKSSNSVJYZFGK-NSHDSACASA-N -1 3 382.446 0.767 20 0 GCADHM C[C@H]1C[C@H](CNC(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)CCO1 ZINC000824884289 608164783 /nfs/dbraw/zinc/16/47/83/608164783.db2.gz NAISNDWUUYVMQK-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H]1C[C@H](CNC(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)CCO1 ZINC000824884289 608164785 /nfs/dbraw/zinc/16/47/85/608164785.db2.gz NAISNDWUUYVMQK-UONOGXRCSA-N -1 3 386.460 0.908 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825582308 608164849 /nfs/dbraw/zinc/16/48/49/608164849.db2.gz JETYVAIEVSMHRJ-CYBMUJFWSA-N -1 3 396.835 0.969 20 0 GCADHM CCOC[C@H](C(=O)OC)N(C)CC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825582308 608164851 /nfs/dbraw/zinc/16/48/51/608164851.db2.gz JETYVAIEVSMHRJ-CYBMUJFWSA-N -1 3 396.835 0.969 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476453 608167787 /nfs/dbraw/zinc/16/77/87/608167787.db2.gz KPNVOGLJIOIEGI-SMDDNHRTSA-N -1 3 394.457 0.174 20 0 GCADHM NC(=O)c1cnn2c1nccc2C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000826393789 608168303 /nfs/dbraw/zinc/16/83/03/608168303.db2.gz JTFRGIDEKKQREZ-UHFFFAOYSA-N -1 3 381.331 0.077 20 0 GCADHM NC(=O)c1cnn2c1nccc2C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826393789 608168305 /nfs/dbraw/zinc/16/83/05/608168305.db2.gz JTFRGIDEKKQREZ-UHFFFAOYSA-N -1 3 381.331 0.077 20 0 GCADHM C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1cccc(-c2nnn[n-]2)c1 ZINC000824521268 608169065 /nfs/dbraw/zinc/16/90/65/608169065.db2.gz JBMYJUVGNRGKBM-SECBINFHSA-N -1 3 377.368 0.499 20 0 GCADHM C[C@@H](NC(=O)c1ccnc2c(C(N)=O)cnn21)c1cccc(-c2nn[n-]n2)c1 ZINC000824521268 608169067 /nfs/dbraw/zinc/16/90/67/608169067.db2.gz JBMYJUVGNRGKBM-SECBINFHSA-N -1 3 377.368 0.499 20 0 GCADHM CN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)CC(C)(C)S(C)(=O)=O ZINC000825892693 608169076 /nfs/dbraw/zinc/16/90/76/608169076.db2.gz SIEVNUYPWOFVTQ-UHFFFAOYSA-N -1 3 380.474 0.238 20 0 GCADHM CN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)CC(C)(C)S(C)(=O)=O ZINC000825892693 608169077 /nfs/dbraw/zinc/16/90/77/608169077.db2.gz SIEVNUYPWOFVTQ-UHFFFAOYSA-N -1 3 380.474 0.238 20 0 GCADHM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)OCC[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826341525 608169469 /nfs/dbraw/zinc/16/94/69/608169469.db2.gz JPGBWVJXYKDWFK-PWSUYJOCSA-N -1 3 389.416 0.930 20 0 GCADHM O=C1OCC[C@@H]2CN(CCS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CCN12 ZINC000826483156 608170256 /nfs/dbraw/zinc/17/02/56/608170256.db2.gz CVCJTYDWGUIEHM-CYBMUJFWSA-N -1 3 392.441 0.167 20 0 GCADHM O=C1OCC[C@@H]2CN(CCS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CCN12 ZINC000826483156 608170258 /nfs/dbraw/zinc/17/02/58/608170258.db2.gz CVCJTYDWGUIEHM-CYBMUJFWSA-N -1 3 392.441 0.167 20 0 GCADHM O=C([C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826399178 608171529 /nfs/dbraw/zinc/17/15/29/608171529.db2.gz OOGOPEKFBDGTDN-JKSUJKDBSA-N -1 3 397.439 0.889 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000825788278 608175667 /nfs/dbraw/zinc/17/56/67/608175667.db2.gz OBKZHHSWUWVFPN-LBPRGKRZSA-N -1 3 398.427 0.670 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000825788278 608175668 /nfs/dbraw/zinc/17/56/68/608175668.db2.gz OBKZHHSWUWVFPN-LBPRGKRZSA-N -1 3 398.427 0.670 20 0 GCADHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000825787868 608176949 /nfs/dbraw/zinc/17/69/49/608176949.db2.gz LJSCAAVRYGVIJK-JTQLQIEISA-N -1 3 389.441 1.000 20 0 GCADHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000825787868 608176950 /nfs/dbraw/zinc/17/69/50/608176950.db2.gz LJSCAAVRYGVIJK-JTQLQIEISA-N -1 3 389.441 1.000 20 0 GCADHM Cc1nn(-c2ccc(-c3nn[n-]n3)cc2)c(NC(=O)C(=O)Nc2cn[nH]c2)c1C ZINC000826331574 608182201 /nfs/dbraw/zinc/18/22/01/608182201.db2.gz OMQTYQIOPWMCCR-UHFFFAOYSA-N -1 3 392.383 0.970 20 0 GCADHM CN1CCN(C[C@@H]2CN(c3snc(Cl)c3-c3nnn[n-]3)CCO2)CC1 ZINC000826037734 608182275 /nfs/dbraw/zinc/18/22/75/608182275.db2.gz BTEZNUUBGMLMPB-SNVBAGLBSA-N -1 3 384.897 0.429 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC1CCOCC1 ZINC000824640675 608187571 /nfs/dbraw/zinc/18/75/71/608187571.db2.gz NHSFOPFZLSJOBY-SNVBAGLBSA-N -1 3 381.414 0.256 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC1CCOCC1 ZINC000824640675 608187573 /nfs/dbraw/zinc/18/75/73/608187573.db2.gz NHSFOPFZLSJOBY-SNVBAGLBSA-N -1 3 381.414 0.256 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCCCC12OCCO2 ZINC000826411506 608196959 /nfs/dbraw/zinc/19/69/59/608196959.db2.gz AYSXKUHPNBOYPL-CQSZACIVSA-N -1 3 386.412 0.398 20 0 GCADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCCC12OCCO2 ZINC000826411506 608196961 /nfs/dbraw/zinc/19/69/61/608196961.db2.gz AYSXKUHPNBOYPL-CQSZACIVSA-N -1 3 386.412 0.398 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)C1 ZINC000825476487 608197330 /nfs/dbraw/zinc/19/73/30/608197330.db2.gz LOLJAVDQRUMVJI-JTQLQIEISA-N -1 3 380.478 0.300 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC)c(CC)c2-c2nn[n-]n2)C1 ZINC000825476487 608197332 /nfs/dbraw/zinc/19/73/32/608197332.db2.gz LOLJAVDQRUMVJI-JTQLQIEISA-N -1 3 380.478 0.300 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCN2CCOc3cccc1c32 ZINC000826413435 608203187 /nfs/dbraw/zinc/20/31/87/608203187.db2.gz FFMGKGZFQBHUPS-UHFFFAOYSA-N -1 3 378.396 0.919 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCN2CCOc3cccc1c32 ZINC000826413435 608203189 /nfs/dbraw/zinc/20/31/89/608203189.db2.gz FFMGKGZFQBHUPS-UHFFFAOYSA-N -1 3 378.396 0.919 20 0 GCADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826437980 608203514 /nfs/dbraw/zinc/20/35/14/608203514.db2.gz IVFRBGRJISJETE-DYVFJYSZSA-N -1 3 388.432 0.311 20 0 GCADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826437980 608203516 /nfs/dbraw/zinc/20/35/16/608203516.db2.gz IVFRBGRJISJETE-DYVFJYSZSA-N -1 3 388.432 0.311 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NN1CCCCC1 ZINC000824641031 608205003 /nfs/dbraw/zinc/20/50/03/608205003.db2.gz ROGCKSTYERTZQI-LLVKDONJSA-N -1 3 379.446 0.051 20 0 GCADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NN1CCCCC1 ZINC000824641031 608205005 /nfs/dbraw/zinc/20/50/05/608205005.db2.gz ROGCKSTYERTZQI-LLVKDONJSA-N -1 3 379.446 0.051 20 0 GCADHM O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000826425043 608205504 /nfs/dbraw/zinc/20/55/04/608205504.db2.gz NYEYCHIXMUKKNG-GFCCVEGCSA-N -1 3 391.399 0.607 20 0 GCADHM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000826425043 608205505 /nfs/dbraw/zinc/20/55/05/608205505.db2.gz NYEYCHIXMUKKNG-GFCCVEGCSA-N -1 3 391.399 0.607 20 0 GCADHM CC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823981032 608209257 /nfs/dbraw/zinc/20/92/57/608209257.db2.gz JTOPVPYZIGYQDI-CVEARBPZSA-N -1 3 386.412 0.014 20 0 GCADHM CC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000823981032 608209259 /nfs/dbraw/zinc/20/92/59/608209259.db2.gz JTOPVPYZIGYQDI-CVEARBPZSA-N -1 3 386.412 0.014 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476349 608210959 /nfs/dbraw/zinc/21/09/59/608210959.db2.gz HHNOWNWAVJJYMM-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM CCNS(=O)(=O)[C@H]1CCN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476349 608210960 /nfs/dbraw/zinc/21/09/60/608210960.db2.gz HHNOWNWAVJJYMM-KBPBESRZSA-N -1 3 394.457 0.094 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000825476352 608212033 /nfs/dbraw/zinc/21/20/33/608212033.db2.gz HHNOWNWAVJJYMM-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM CCNS(=O)(=O)[C@@H]1CCN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825476352 608212035 /nfs/dbraw/zinc/21/20/35/608212035.db2.gz HHNOWNWAVJJYMM-ZIAGYGMSSA-N -1 3 394.457 0.094 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCOC[C@H]1CCO ZINC000826175592 608213536 /nfs/dbraw/zinc/21/35/36/608213536.db2.gz KAFXQTRVNBHLHC-CQSZACIVSA-N -1 3 391.428 0.644 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCOC[C@H]1CCO ZINC000826175592 608213538 /nfs/dbraw/zinc/21/35/38/608213538.db2.gz KAFXQTRVNBHLHC-CQSZACIVSA-N -1 3 391.428 0.644 20 0 GCADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCc2cccc(=O)[nH]2)cc1 ZINC000826394861 608213667 /nfs/dbraw/zinc/21/36/67/608213667.db2.gz BZOKSQNZKUTPCF-UHFFFAOYSA-N -1 3 377.368 0.665 20 0 GCADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCc2cccc(=O)[nH]2)cc1 ZINC000826394861 608213668 /nfs/dbraw/zinc/21/36/68/608213668.db2.gz BZOKSQNZKUTPCF-UHFFFAOYSA-N -1 3 377.368 0.665 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCN(Cc2ccncc2)CC1 ZINC000826413913 608216533 /nfs/dbraw/zinc/21/65/33/608216533.db2.gz WPKONDGFVSIAIB-UHFFFAOYSA-N -1 3 379.428 0.413 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCN(Cc2ccncc2)CC1 ZINC000826413913 608216535 /nfs/dbraw/zinc/21/65/35/608216535.db2.gz WPKONDGFVSIAIB-UHFFFAOYSA-N -1 3 379.428 0.413 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCN(Cc2ccccn2)CC1 ZINC000826413442 608216597 /nfs/dbraw/zinc/21/65/97/608216597.db2.gz FNRLUWIAOLNHCD-UHFFFAOYSA-N -1 3 379.428 0.413 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCN(Cc2ccccn2)CC1 ZINC000826413442 608216599 /nfs/dbraw/zinc/21/65/99/608216599.db2.gz FNRLUWIAOLNHCD-UHFFFAOYSA-N -1 3 379.428 0.413 20 0 GCADHM Cc1csc(N2CCN(C(=O)CNc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826321266 608219381 /nfs/dbraw/zinc/21/93/81/608219381.db2.gz XVRHAWZEPFHMDU-UHFFFAOYSA-N -1 3 385.457 0.787 20 0 GCADHM Cc1csc(N2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826321266 608219382 /nfs/dbraw/zinc/21/93/82/608219382.db2.gz XVRHAWZEPFHMDU-UHFFFAOYSA-N -1 3 385.457 0.787 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000826481389 608219513 /nfs/dbraw/zinc/21/95/13/608219513.db2.gz RXXPGSIVKALGIO-UHFFFAOYSA-N -1 3 393.411 0.249 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000826481389 608219515 /nfs/dbraw/zinc/21/95/15/608219515.db2.gz RXXPGSIVKALGIO-UHFFFAOYSA-N -1 3 393.411 0.249 20 0 GCADHM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000825066612 608221187 /nfs/dbraw/zinc/22/11/87/608221187.db2.gz CLFWSHMXXWSWDC-CMPLNLGQSA-N -1 3 390.473 0.490 20 0 GCADHM CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000825066612 608221189 /nfs/dbraw/zinc/22/11/89/608221189.db2.gz CLFWSHMXXWSWDC-CMPLNLGQSA-N -1 3 390.473 0.490 20 0 GCADHM CC(C)C(=O)NC[C@H]1CCCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000824178350 608221496 /nfs/dbraw/zinc/22/14/96/608221496.db2.gz QTHFAPFHIDADMH-CYBMUJFWSA-N -1 3 386.460 0.684 20 0 GCADHM CC(C)C(=O)NC[C@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000824178350 608221498 /nfs/dbraw/zinc/22/14/98/608221498.db2.gz QTHFAPFHIDADMH-CYBMUJFWSA-N -1 3 386.460 0.684 20 0 GCADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)N1CCCN(Cc2cscn2)CC1 ZINC000826413610 608222442 /nfs/dbraw/zinc/22/24/42/608222442.db2.gz LILIKGFEZQYOLE-UHFFFAOYSA-N -1 3 399.484 0.865 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)N1CCCN(Cc2cscn2)CC1 ZINC000826413610 608222444 /nfs/dbraw/zinc/22/24/44/608222444.db2.gz LILIKGFEZQYOLE-UHFFFAOYSA-N -1 3 399.484 0.865 20 0 GCADHM CN(C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000825855549 608225754 /nfs/dbraw/zinc/22/57/54/608225754.db2.gz HMEFQJJWIKHTCD-UHFFFAOYSA-N -1 3 395.427 0.812 20 0 GCADHM O=C1CN(CN2CCOC3(CCC3)C2)C(=O)N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826481345 608239361 /nfs/dbraw/zinc/23/93/61/608239361.db2.gz QNUSQBVJCZDYIO-UHFFFAOYSA-N -1 3 397.439 0.843 20 0 GCADHM O=C1CN(CN2CCOC3(CCC3)C2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826481345 608239363 /nfs/dbraw/zinc/23/93/63/608239363.db2.gz QNUSQBVJCZDYIO-UHFFFAOYSA-N -1 3 397.439 0.843 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825248398 608239813 /nfs/dbraw/zinc/23/98/13/608239813.db2.gz SXLIZXMJYRUSCA-LLVKDONJSA-N -1 3 386.384 0.434 20 0 GCADHM CCC[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825248398 608239815 /nfs/dbraw/zinc/23/98/15/608239815.db2.gz SXLIZXMJYRUSCA-LLVKDONJSA-N -1 3 386.384 0.434 20 0 GCADHM O=C1CC[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)CCN12 ZINC000826480009 608242092 /nfs/dbraw/zinc/24/20/92/608242092.db2.gz OLNKMFCTIGWDBT-VIFPVBQESA-N -1 3 382.833 0.515 20 0 GCADHM O=C1CC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)c(Cl)c3)CCN12 ZINC000826480009 608242093 /nfs/dbraw/zinc/24/20/93/608242093.db2.gz OLNKMFCTIGWDBT-VIFPVBQESA-N -1 3 382.833 0.515 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)[C@H](O)C(F)(F)F ZINC000825127509 608244835 /nfs/dbraw/zinc/24/48/35/608244835.db2.gz NEMNZPMJISKBBA-ONGXEEELSA-N -1 3 386.334 0.932 20 0 GCADHM CC[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)[C@H](O)C(F)(F)F ZINC000825127509 608244837 /nfs/dbraw/zinc/24/48/37/608244837.db2.gz NEMNZPMJISKBBA-ONGXEEELSA-N -1 3 386.334 0.932 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000826052706 608245170 /nfs/dbraw/zinc/24/51/70/608245170.db2.gz SNCHOMLAHNMRQJ-ONGXEEELSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000826052706 608245172 /nfs/dbraw/zinc/24/51/72/608245172.db2.gz SNCHOMLAHNMRQJ-ONGXEEELSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000826052704 608245517 /nfs/dbraw/zinc/24/55/17/608245517.db2.gz SNCHOMLAHNMRQJ-KOLCDFICSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000826052704 608245519 /nfs/dbraw/zinc/24/55/19/608245519.db2.gz SNCHOMLAHNMRQJ-KOLCDFICSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826052647 608245595 /nfs/dbraw/zinc/24/55/95/608245595.db2.gz RHQGAGOEPMOWTG-JOYOIKCWSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826052647 608245596 /nfs/dbraw/zinc/24/55/96/608245596.db2.gz RHQGAGOEPMOWTG-JOYOIKCWSA-N -1 3 391.819 0.490 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826060065 608248635 /nfs/dbraw/zinc/24/86/35/608248635.db2.gz GDGVINKKRAEPHY-JSGCOSHPSA-N -1 3 395.427 0.279 20 0 GCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826060065 608248637 /nfs/dbraw/zinc/24/86/37/608248637.db2.gz GDGVINKKRAEPHY-JSGCOSHPSA-N -1 3 395.427 0.279 20 0 GCADHM CCOCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825593766 608249108 /nfs/dbraw/zinc/24/91/08/608249108.db2.gz DBUZCBPDGSJFHO-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM CCOCCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825593766 608249109 /nfs/dbraw/zinc/24/91/09/608249109.db2.gz DBUZCBPDGSJFHO-LLVKDONJSA-N -1 3 382.446 0.028 20 0 GCADHM CCc1nn(C)c(OC)c1CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825759698 608249355 /nfs/dbraw/zinc/24/93/55/608249355.db2.gz OBTQANCIIPVNOQ-UHFFFAOYSA-N -1 3 395.420 0.789 20 0 GCADHM O=C([C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)N1CCN2C(=O)CC[C@H]2C1 ZINC000826399518 608251987 /nfs/dbraw/zinc/25/19/87/608251987.db2.gz YAKFUSIOCQYVON-HOTGVXAUSA-N -1 3 381.440 0.669 20 0 GCADHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000826412951 608252917 /nfs/dbraw/zinc/25/29/17/608252917.db2.gz KRUGEAWUBRRSCA-HNNXBMFYSA-N -1 3 386.412 0.459 20 0 GCADHM Cn1nnnc1CCNC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000826367431 608253809 /nfs/dbraw/zinc/25/38/09/608253809.db2.gz YRLQCHPDBBTVQM-UHFFFAOYSA-N -1 3 388.461 0.165 20 0 GCADHM Cn1nnnc1CCNC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000826367431 608253813 /nfs/dbraw/zinc/25/38/13/608253813.db2.gz YRLQCHPDBBTVQM-UHFFFAOYSA-N -1 3 388.461 0.165 20 0 GCADHM O=C(CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)N1CCOC[C@H]1C1CC1 ZINC000826410957 608256154 /nfs/dbraw/zinc/25/61/54/608256154.db2.gz FQQNKFPUNCXGFZ-ROUUACIJSA-N -1 3 398.467 0.877 20 0 GCADHM O=C(CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)N1CCOC[C@H]1C1CC1 ZINC000826410957 608256156 /nfs/dbraw/zinc/25/61/56/608256156.db2.gz FQQNKFPUNCXGFZ-ROUUACIJSA-N -1 3 398.467 0.877 20 0 GCADHM O=C(c1ccc(=O)[nH]c1)N1CCN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826472810 608256321 /nfs/dbraw/zinc/25/63/21/608256321.db2.gz XLVHSXYHPACESN-INIZCTEOSA-N -1 3 395.423 0.459 20 0 GCADHM O=C(CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)N1CCOC[C@H]1C1CC1 ZINC000826410958 608256521 /nfs/dbraw/zinc/25/65/21/608256521.db2.gz FQQNKFPUNCXGFZ-ZWKOTPCHSA-N -1 3 398.467 0.877 20 0 GCADHM O=C(CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)N1CCOC[C@H]1C1CC1 ZINC000826410958 608256523 /nfs/dbraw/zinc/25/65/23/608256523.db2.gz FQQNKFPUNCXGFZ-ZWKOTPCHSA-N -1 3 398.467 0.877 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826321559 608259292 /nfs/dbraw/zinc/25/92/92/608259292.db2.gz IFAGDOPDYXNKGD-MRXNPFEDSA-N -1 3 396.455 0.896 20 0 GCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826321559 608259293 /nfs/dbraw/zinc/25/92/93/608259293.db2.gz IFAGDOPDYXNKGD-MRXNPFEDSA-N -1 3 396.455 0.896 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826333777 608271689 /nfs/dbraw/zinc/27/16/89/608271689.db2.gz VBWXSWJXOMKZJP-UHFFFAOYSA-N -1 3 382.432 0.966 20 0 GCADHM Cc1nn(C)c(C)c1NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826333777 608271691 /nfs/dbraw/zinc/27/16/91/608271691.db2.gz VBWXSWJXOMKZJP-UHFFFAOYSA-N -1 3 382.432 0.966 20 0 GCADHM CS(=O)(=O)NC[C@@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826223649 608273839 /nfs/dbraw/zinc/27/38/39/608273839.db2.gz VAVLSQKCZZYADW-LBPRGKRZSA-N -1 3 391.501 0.906 20 0 GCADHM CS(=O)(=O)NC[C@@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826223649 608273840 /nfs/dbraw/zinc/27/38/40/608273840.db2.gz VAVLSQKCZZYADW-LBPRGKRZSA-N -1 3 391.501 0.906 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccc[nH]1 ZINC000824635224 608276186 /nfs/dbraw/zinc/27/61/86/608276186.db2.gz ZVMLNGVEEIOUAO-NSHDSACASA-N -1 3 389.441 0.221 20 0 GCADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccc[nH]1 ZINC000824635224 608276187 /nfs/dbraw/zinc/27/61/87/608276187.db2.gz ZVMLNGVEEIOUAO-NSHDSACASA-N -1 3 389.441 0.221 20 0 GCADHM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826392801 608277243 /nfs/dbraw/zinc/27/72/43/608277243.db2.gz NPWYMYQDPFTOQT-UHFFFAOYSA-N -1 3 382.384 0.383 20 0 GCADHM NC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826392801 608277245 /nfs/dbraw/zinc/27/72/45/608277245.db2.gz NPWYMYQDPFTOQT-UHFFFAOYSA-N -1 3 382.384 0.383 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)c(NCCC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC000826275881 608281689 /nfs/dbraw/zinc/28/16/89/608281689.db2.gz NFRDPFLFRFBFRU-UHFFFAOYSA-N -1 3 394.443 0.511 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)c(NCCC(=O)N2CCN(c3ncccn3)CC2)n1 ZINC000826275881 608281691 /nfs/dbraw/zinc/28/16/91/608281691.db2.gz NFRDPFLFRFBFRU-UHFFFAOYSA-N -1 3 394.443 0.511 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC000826394723 608287270 /nfs/dbraw/zinc/28/72/70/608287270.db2.gz VYILVKMRZLVUSU-LLVKDONJSA-N -1 3 377.474 0.645 20 0 GCADHM NS(=O)(=O)C[C@@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC000826394723 608287271 /nfs/dbraw/zinc/28/72/71/608287271.db2.gz VYILVKMRZLVUSU-LLVKDONJSA-N -1 3 377.474 0.645 20 0 GCADHM C[C@@]1([C@@H]2CCCN(c3nc4c(cc3-c3nnn[n-]3)CCCC4)C2)NC(=O)NC1=O ZINC000824817690 608296531 /nfs/dbraw/zinc/29/65/31/608296531.db2.gz QKPPKDFFNQRJRF-BLVKFPJESA-N -1 3 396.455 0.955 20 0 GCADHM C[C@@]1([C@@H]2CCCN(c3nc4c(cc3-c3nn[n-]n3)CCCC4)C2)NC(=O)NC1=O ZINC000824817690 608296533 /nfs/dbraw/zinc/29/65/33/608296533.db2.gz QKPPKDFFNQRJRF-BLVKFPJESA-N -1 3 396.455 0.955 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC000823968034 608297756 /nfs/dbraw/zinc/29/77/56/608297756.db2.gz UBQYPSHGEJAPJK-CYBMUJFWSA-N -1 3 383.416 0.889 20 0 GCADHM CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC000823968034 608297757 /nfs/dbraw/zinc/29/77/57/608297757.db2.gz UBQYPSHGEJAPJK-CYBMUJFWSA-N -1 3 383.416 0.889 20 0 GCADHM CS(=O)(=O)c1cc(C(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)cs1 ZINC000826224254 608306242 /nfs/dbraw/zinc/30/62/42/608306242.db2.gz WOZXBLAPNBPQDR-UHFFFAOYSA-N -1 3 397.467 0.886 20 0 GCADHM CS(=O)(=O)c1cc(C(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)cs1 ZINC000826224254 608306243 /nfs/dbraw/zinc/30/62/43/608306243.db2.gz WOZXBLAPNBPQDR-UHFFFAOYSA-N -1 3 397.467 0.886 20 0 GCADHM COCCNC(=O)Cn1cc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)cn1 ZINC000826160560 608310525 /nfs/dbraw/zinc/31/05/25/608310525.db2.gz WXVXRCSAYAJUSA-UHFFFAOYSA-N -1 3 386.416 0.447 20 0 GCADHM COCCNC(=O)Cn1cc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)cn1 ZINC000826160560 608310528 /nfs/dbraw/zinc/31/05/28/608310528.db2.gz WXVXRCSAYAJUSA-UHFFFAOYSA-N -1 3 386.416 0.447 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H](C)CN1Cc1ccccc1 ZINC000824968953 608316613 /nfs/dbraw/zinc/31/66/13/608316613.db2.gz RDOYXBITXBRFFX-KGLIPLIRSA-N -1 3 381.444 0.580 20 0 GCADHM C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H](C)CN1Cc1ccccc1 ZINC000824968953 608316615 /nfs/dbraw/zinc/31/66/15/608316615.db2.gz RDOYXBITXBRFFX-KGLIPLIRSA-N -1 3 381.444 0.580 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](CO)Cc2ccc(F)cc2)c1-c1nnn[n-]1 ZINC000826298716 608316890 /nfs/dbraw/zinc/31/68/90/608316890.db2.gz FCCSOIKZUQDXHD-AWEZNQCLSA-N -1 3 398.398 0.973 20 0 GCADHM Cc1cccc(NC(=O)C(=O)N[C@H](CO)Cc2ccc(F)cc2)c1-c1nn[n-]n1 ZINC000826298716 608316892 /nfs/dbraw/zinc/31/68/92/608316892.db2.gz FCCSOIKZUQDXHD-AWEZNQCLSA-N -1 3 398.398 0.973 20 0 GCADHM O=C(Nc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CO)Cc1ccc(F)cc1 ZINC000826455708 608317444 /nfs/dbraw/zinc/31/74/44/608317444.db2.gz AHSCLTVPOXCSQO-HNNXBMFYSA-N -1 3 384.371 0.664 20 0 GCADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CO)Cc1ccc(F)cc1 ZINC000826455708 608317446 /nfs/dbraw/zinc/31/74/46/608317446.db2.gz AHSCLTVPOXCSQO-HNNXBMFYSA-N -1 3 384.371 0.664 20 0 GCADHM Cc1nn(-c2ccccc2)c(CN2CC[C@@]3(C2)NC(=O)NC3=O)c1-c1nnn[n-]1 ZINC000826332613 608317668 /nfs/dbraw/zinc/31/76/68/608317668.db2.gz ZMBFBXADCPPLFQ-SFHVURJKSA-N -1 3 393.411 0.145 20 0 GCADHM Cc1c(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cnn1C1CCOCC1 ZINC000826234808 608318249 /nfs/dbraw/zinc/31/82/49/608318249.db2.gz OWQQNYQDJCWENG-UHFFFAOYSA-N -1 3 387.404 0.359 20 0 GCADHM Cc1c(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cnn1C1CCOCC1 ZINC000826234808 608318252 /nfs/dbraw/zinc/31/82/52/608318252.db2.gz OWQQNYQDJCWENG-UHFFFAOYSA-N -1 3 387.404 0.359 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)c1ccco1 ZINC000826437605 608327007 /nfs/dbraw/zinc/32/70/07/608327007.db2.gz SWDCFCCGKDIJFI-UHFFFAOYSA-N -1 3 394.388 0.448 20 0 GCADHM O=C(NCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1ccco1 ZINC000826437605 608327009 /nfs/dbraw/zinc/32/70/09/608327009.db2.gz SWDCFCCGKDIJFI-UHFFFAOYSA-N -1 3 394.388 0.448 20 0 GCADHM CN(CC(=O)NC(C)(C)C)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825892101 608327020 /nfs/dbraw/zinc/32/70/20/608327020.db2.gz FYDBBIJPMUXODG-UHFFFAOYSA-N -1 3 384.437 0.682 20 0 GCADHM CN(CC(=O)NC(C)(C)C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825892101 608327022 /nfs/dbraw/zinc/32/70/22/608327022.db2.gz FYDBBIJPMUXODG-UHFFFAOYSA-N -1 3 384.437 0.682 20 0 GCADHM CN(C)C(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000825845690 608327118 /nfs/dbraw/zinc/32/71/18/608327118.db2.gz LSEJHRVTJJELPR-UHFFFAOYSA-N -1 3 397.436 0.135 20 0 GCADHM CN(C)C(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000825845690 608327119 /nfs/dbraw/zinc/32/71/19/608327119.db2.gz LSEJHRVTJJELPR-UHFFFAOYSA-N -1 3 397.436 0.135 20 0 GCADHM O=C(CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)N1CCCCC1 ZINC000826412137 608327305 /nfs/dbraw/zinc/32/73/05/608327305.db2.gz CQBGFSUHWFDEBY-UHFFFAOYSA-N -1 3 382.421 0.438 20 0 GCADHM NC(=O)[C@H](NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000826389008 608327389 /nfs/dbraw/zinc/32/73/89/608327389.db2.gz OGQDCFOUMRCHQK-CQSZACIVSA-N -1 3 390.400 0.652 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)NCc1nnc2n1CCC2 ZINC000826486197 608327822 /nfs/dbraw/zinc/32/78/22/608327822.db2.gz SQFHSURERINTLK-UHFFFAOYSA-N -1 3 378.393 0.163 20 0 GCADHM CCCN(CC(=O)N(C)C)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000825307663 608328564 /nfs/dbraw/zinc/32/85/64/608328564.db2.gz KIWMHELOFHRTDT-UHFFFAOYSA-N -1 3 384.437 0.636 20 0 GCADHM CCCN(CC(=O)N(C)C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000825307663 608328566 /nfs/dbraw/zinc/32/85/66/608328566.db2.gz KIWMHELOFHRTDT-UHFFFAOYSA-N -1 3 384.437 0.636 20 0 GCADHM O=C(CCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F)N1CCCCC1 ZINC000826408077 608329065 /nfs/dbraw/zinc/32/90/65/608329065.db2.gz OUVWALSWDLPSML-UHFFFAOYSA-N -1 3 396.448 0.828 20 0 GCADHM O=C(CCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)N1CCCCC1 ZINC000826408077 608329067 /nfs/dbraw/zinc/32/90/67/608329067.db2.gz OUVWALSWDLPSML-UHFFFAOYSA-N -1 3 396.448 0.828 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H]1Cn1cncn1 ZINC000826485228 608333404 /nfs/dbraw/zinc/33/34/04/608333404.db2.gz HREXVNMGQJAIJL-ZDUSSCGKSA-N -1 3 392.420 0.592 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H]1Cn1cncn1 ZINC000826485228 608333406 /nfs/dbraw/zinc/33/34/06/608333406.db2.gz HREXVNMGQJAIJL-ZDUSSCGKSA-N -1 3 392.420 0.592 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N[C@@H]1CCCS(=O)(=O)C1 ZINC000826497229 608334109 /nfs/dbraw/zinc/33/41/09/608334109.db2.gz ZBBIJGJYICKALW-LLVKDONJSA-N -1 3 389.434 0.002 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CCC[C@H](OCCO)C1 ZINC000826485373 608335228 /nfs/dbraw/zinc/33/52/28/608335228.db2.gz OCFLHABJQLXHRH-ZDUSSCGKSA-N -1 3 385.421 0.309 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CCC[C@H](OCCO)C1 ZINC000826485373 608335230 /nfs/dbraw/zinc/33/52/30/608335230.db2.gz OCFLHABJQLXHRH-ZDUSSCGKSA-N -1 3 385.421 0.309 20 0 GCADHM C[C@H](O)CN1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1C ZINC000824706580 608335661 /nfs/dbraw/zinc/33/56/61/608335661.db2.gz JGDYFFNNHWFRGN-RYUDHWBXSA-N -1 3 398.464 0.223 20 0 GCADHM C[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000824632615 608335918 /nfs/dbraw/zinc/33/59/18/608335918.db2.gz CEEWHWYJKLFWKP-LBPRGKRZSA-N -1 3 394.457 0.601 20 0 GCADHM C[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000824632615 608335919 /nfs/dbraw/zinc/33/59/19/608335919.db2.gz CEEWHWYJKLFWKP-LBPRGKRZSA-N -1 3 394.457 0.601 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000826485508 608336826 /nfs/dbraw/zinc/33/68/26/608336826.db2.gz SXYZXUGHZADNNN-CQSZACIVSA-N -1 3 396.448 0.242 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CC[C@@H](N2CCOCC2)C1 ZINC000826485508 608336829 /nfs/dbraw/zinc/33/68/29/608336829.db2.gz SXYZXUGHZADNNN-CQSZACIVSA-N -1 3 396.448 0.242 20 0 GCADHM O=S(=O)(Cc1cc(-c2nnn[n-]2)ccc1F)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826485144 608336908 /nfs/dbraw/zinc/33/69/08/608336908.db2.gz DQXAKGOFCXAITR-LBPRGKRZSA-N -1 3 395.338 0.835 20 0 GCADHM O=S(=O)(Cc1cc(-c2nn[n-]n2)ccc1F)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000826485144 608336911 /nfs/dbraw/zinc/33/69/11/608336911.db2.gz DQXAKGOFCXAITR-LBPRGKRZSA-N -1 3 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377.416 0.573 20 0 GCADHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000825971756 608547351 /nfs/dbraw/zinc/54/73/51/608547351.db2.gz NSQODRMOZPILMN-UHFFFAOYSA-N -1 3 392.401 0.458 20 0 GCADHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000825971756 608547352 /nfs/dbraw/zinc/54/73/52/608547352.db2.gz NSQODRMOZPILMN-UHFFFAOYSA-N -1 3 392.401 0.458 20 0 GCADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000826278280 608549110 /nfs/dbraw/zinc/54/91/10/608549110.db2.gz WOBGVPJRGGZZRR-LLVKDONJSA-N -1 3 379.446 0.708 20 0 GCADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000826278280 608549111 /nfs/dbraw/zinc/54/91/11/608549111.db2.gz WOBGVPJRGGZZRR-LLVKDONJSA-N -1 3 379.446 0.708 20 0 GCADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000826441973 608551639 /nfs/dbraw/zinc/55/16/39/608551639.db2.gz DFLABAPTCQQEMF-UHFFFAOYSA-N -1 3 389.379 0.907 20 0 GCADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000826441973 608551640 /nfs/dbraw/zinc/55/16/40/608551640.db2.gz DFLABAPTCQQEMF-UHFFFAOYSA-N -1 3 389.379 0.907 20 0 GCADHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000825934731 608557031 /nfs/dbraw/zinc/55/70/31/608557031.db2.gz QWXIPRZVNPPOCX-UHFFFAOYSA-N -1 3 382.388 0.860 20 0 GCADHM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)N1CCSCC1 ZINC000824038978 608558862 /nfs/dbraw/zinc/55/88/62/608558862.db2.gz BTBSFHPZDFRQPV-JTQLQIEISA-N -1 3 379.494 0.000 20 0 GCADHM C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)N1CCSCC1 ZINC000824038978 608558863 /nfs/dbraw/zinc/55/88/63/608558863.db2.gz BTBSFHPZDFRQPV-JTQLQIEISA-N -1 3 379.494 0.000 20 0 GCADHM CC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC000823981314 608561688 /nfs/dbraw/zinc/56/16/88/608561688.db2.gz MNZKJUSEVLKKSL-UHFFFAOYSA-N -1 3 392.485 0.583 20 0 GCADHM CC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC000823981314 608561690 /nfs/dbraw/zinc/56/16/90/608561690.db2.gz MNZKJUSEVLKKSL-UHFFFAOYSA-N -1 3 392.485 0.583 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ccc(F)cn2)CC1 ZINC000826388691 608563021 /nfs/dbraw/zinc/56/30/21/608563021.db2.gz HCBFCFDRRXUSPA-MRXNPFEDSA-N -1 3 382.403 0.749 20 0 GCADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ccc(F)cn2)CC1 ZINC000826388691 608563023 /nfs/dbraw/zinc/56/30/23/608563023.db2.gz HCBFCFDRRXUSPA-MRXNPFEDSA-N -1 3 382.403 0.749 20 0 GCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@@H]1O ZINC000824991377 608563324 /nfs/dbraw/zinc/56/33/24/608563324.db2.gz AGEADLYUZSFHCS-XCBNKYQSSA-N -1 3 377.348 0.887 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1O ZINC000824994160 608563990 /nfs/dbraw/zinc/56/39/90/608563990.db2.gz TZVPBIPCZJXAEA-WRWORJQWSA-N -1 3 377.348 0.887 20 0 GCADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C[C@H]1O ZINC000824994160 608563992 /nfs/dbraw/zinc/56/39/92/608563992.db2.gz TZVPBIPCZJXAEA-WRWORJQWSA-N -1 3 377.348 0.887 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000824206208 608564146 /nfs/dbraw/zinc/56/41/46/608564146.db2.gz BCHFWNHFCHYUAK-MFKMUULPSA-N -1 3 382.446 0.063 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000824206208 608564147 /nfs/dbraw/zinc/56/41/47/608564147.db2.gz BCHFWNHFCHYUAK-MFKMUULPSA-N -1 3 382.446 0.063 20 0 GCADHM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)O1 ZINC000825840413 608564477 /nfs/dbraw/zinc/56/44/77/608564477.db2.gz OZSNSTQSJMBFQZ-GXSJLCMTSA-N -1 3 379.808 0.281 20 0 GCADHM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)O1 ZINC000825840413 608564479 /nfs/dbraw/zinc/56/44/79/608564479.db2.gz OZSNSTQSJMBFQZ-GXSJLCMTSA-N -1 3 379.808 0.281 20 0 GCADHM COC[C@H](C)S(=O)(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826149142 608565163 /nfs/dbraw/zinc/56/51/63/608565163.db2.gz AIODUXSRQPTQEX-XGNXJENSSA-N -1 3 396.473 0.906 20 0 GCADHM COC[C@H](C)S(=O)(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826149142 608565165 /nfs/dbraw/zinc/56/51/65/608565165.db2.gz AIODUXSRQPTQEX-XGNXJENSSA-N -1 3 396.473 0.906 20 0 GCADHM CCOC(=O)C1(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000825492497 608566449 /nfs/dbraw/zinc/56/64/49/608566449.db2.gz GERCIXSQIWPWDA-CYBMUJFWSA-N -1 3 385.380 0.859 20 0 GCADHM CCOC(=O)C1(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000825492497 608566450 /nfs/dbraw/zinc/56/64/50/608566450.db2.gz GERCIXSQIWPWDA-CYBMUJFWSA-N -1 3 385.380 0.859 20 0 GCADHM NC(=O)CCCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826391135 608566490 /nfs/dbraw/zinc/56/64/90/608566490.db2.gz XRVGKSRUJWHBST-UHFFFAOYSA-N -1 3 392.363 0.819 20 0 GCADHM CN(C)C1CN(S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)C1 ZINC000825856055 608567029 /nfs/dbraw/zinc/56/70/29/608567029.db2.gz MKLOKIBLWJJGPR-UHFFFAOYSA-N -1 3 387.263 0.564 20 0 GCADHM CN(C)C1CN(S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)C1 ZINC000825856055 608567030 /nfs/dbraw/zinc/56/70/30/608567030.db2.gz MKLOKIBLWJJGPR-UHFFFAOYSA-N -1 3 387.263 0.564 20 0 GCADHM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)N1CC[C@H](CO)C1 ZINC000826494865 608567372 /nfs/dbraw/zinc/56/73/72/608567372.db2.gz SJDLROXNYBZNLL-QMMMGPOBSA-N -1 3 377.348 0.888 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCSC[C@@H]1CO ZINC000826494174 608567541 /nfs/dbraw/zinc/56/75/41/608567541.db2.gz QZVTYKRMJNGWAE-QMMMGPOBSA-N -1 3 377.398 0.243 20 0 GCADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCSC[C@@H]1CO ZINC000826494174 608567543 /nfs/dbraw/zinc/56/75/43/608567543.db2.gz QZVTYKRMJNGWAE-QMMMGPOBSA-N -1 3 377.398 0.243 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825465114 608568055 /nfs/dbraw/zinc/56/80/55/608568055.db2.gz IOEANOCOBDZRHZ-QGZVFWFLSA-N -1 3 385.472 0.672 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825465114 608568057 /nfs/dbraw/zinc/56/80/57/608568057.db2.gz IOEANOCOBDZRHZ-QGZVFWFLSA-N -1 3 385.472 0.672 20 0 GCADHM Cn1cnc(S(=O)(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c1 ZINC000826364807 608569318 /nfs/dbraw/zinc/56/93/18/608569318.db2.gz LXNPSNNVCKQAAY-UHFFFAOYSA-N -1 3 385.413 0.469 20 0 GCADHM C[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)[C@@H](C)CN1C ZINC000824978321 608597477 /nfs/dbraw/zinc/59/74/77/608597477.db2.gz VSGMVHSCSUMCKP-NEPJUHHUSA-N -1 3 381.444 0.799 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCc2ncn(C)n2)cc1-c1nnn[n-]1 ZINC000825540223 608608175 /nfs/dbraw/zinc/60/81/75/608608175.db2.gz WAEYCKJDIRCWIW-UHFFFAOYSA-N -1 3 386.376 0.885 20 0 GCADHM CCOC(=O)Nc1ccc(NC(=O)NCc2ncn(C)n2)cc1-c1nn[n-]n1 ZINC000825540223 608608176 /nfs/dbraw/zinc/60/81/76/608608176.db2.gz WAEYCKJDIRCWIW-UHFFFAOYSA-N -1 3 386.376 0.885 20 0 GCADHM CS(=O)(=O)CC1(CN(c2ccc(-c3nn[n-]n3)cc2)S(C)(=O)=O)CC1 ZINC000826222439 608615619 /nfs/dbraw/zinc/61/56/19/608615619.db2.gz WTPMIRAHIOGEFY-UHFFFAOYSA-N -1 3 385.471 0.458 20 0 GCADHM C[C@H](O)CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1-c1nnn[n-]1 ZINC000826232289 608617880 /nfs/dbraw/zinc/61/78/80/608617880.db2.gz SLIHSLGACPZXNL-JTQLQIEISA-N -1 3 383.368 0.490 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000824207630 608619764 /nfs/dbraw/zinc/61/97/64/608619764.db2.gz YVZFHHRLUKJBKT-ZENOOKHLSA-N -1 3 375.429 0.878 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@H](CO)OC[C@@H]1C ZINC000824207630 608619765 /nfs/dbraw/zinc/61/97/65/608619765.db2.gz YVZFHHRLUKJBKT-ZENOOKHLSA-N -1 3 375.429 0.878 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1C[C@@H](CO)OC[C@H]1C ZINC000824207627 608619822 /nfs/dbraw/zinc/61/98/22/608619822.db2.gz YVZFHHRLUKJBKT-WWGRRREGSA-N -1 3 375.429 0.878 20 0 GCADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1C[C@@H](CO)OC[C@H]1C ZINC000824207627 608619823 /nfs/dbraw/zinc/61/98/23/608619823.db2.gz YVZFHHRLUKJBKT-WWGRRREGSA-N -1 3 375.429 0.878 20 0 GCADHM Cn1cnc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826364912 608620412 /nfs/dbraw/zinc/62/04/12/608620412.db2.gz QVDMPCKHQWHKAZ-UHFFFAOYSA-N -1 3 395.305 0.269 20 0 GCADHM Cn1cnc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826364912 608620414 /nfs/dbraw/zinc/62/04/14/608620414.db2.gz QVDMPCKHQWHKAZ-UHFFFAOYSA-N -1 3 395.305 0.269 20 0 GCADHM C[C@H](CO)N(C)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824442807 608624527 /nfs/dbraw/zinc/62/45/27/608624527.db2.gz XRILFYCQWWWPMG-LMWSTFAQSA-N -1 3 375.433 0.974 20 0 GCADHM C[C@H](CO)N(C)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824442807 608624529 /nfs/dbraw/zinc/62/45/29/608624529.db2.gz XRILFYCQWWWPMG-LMWSTFAQSA-N -1 3 375.433 0.974 20 0 GCADHM COC[C@](C)(O)C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826148306 608640062 /nfs/dbraw/zinc/64/00/62/608640062.db2.gz FKMYXNHBXNYJST-FVKWTLKZSA-N -1 3 376.417 0.465 20 0 GCADHM COC[C@](C)(O)C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826148306 608640065 /nfs/dbraw/zinc/64/00/65/608640065.db2.gz FKMYXNHBXNYJST-FVKWTLKZSA-N -1 3 376.417 0.465 20 0 GCADHM COC[C@@](C)(NCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1)C(=O)OC ZINC000826148876 608642377 /nfs/dbraw/zinc/64/23/77/608642377.db2.gz SRNPVJIODBOASF-OAHLLOKOSA-N -1 3 382.808 0.626 20 0 GCADHM COC[C@@](C)(NCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1)C(=O)OC ZINC000826148876 608642379 /nfs/dbraw/zinc/64/23/79/608642379.db2.gz SRNPVJIODBOASF-OAHLLOKOSA-N -1 3 382.808 0.626 20 0 GCADHM COC[C@@](C)(NCC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)C(=O)OC ZINC000826149027 608642728 /nfs/dbraw/zinc/64/27/28/608642728.db2.gz XPYJXSAEZGVGSE-OAHLLOKOSA-N -1 3 382.446 0.651 20 0 GCADHM COC[C@@](C)(NCC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)C(=O)OC ZINC000826149027 608642729 /nfs/dbraw/zinc/64/27/29/608642729.db2.gz XPYJXSAEZGVGSE-OAHLLOKOSA-N -1 3 382.446 0.651 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826090329 608745507 /nfs/dbraw/zinc/74/55/07/608745507.db2.gz GANVNUTUALPRBX-LBPRGKRZSA-N -1 3 376.446 0.028 20 0 GCADHM CNS(=O)(=O)C[C@@H]1CCCN1Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826090329 608745509 /nfs/dbraw/zinc/74/55/09/608745509.db2.gz GANVNUTUALPRBX-LBPRGKRZSA-N -1 3 376.446 0.028 20 0 GCADHM c1ccc(-n2nnnc2N2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1 ZINC000826519875 608773384 /nfs/dbraw/zinc/77/33/84/608773384.db2.gz RWIWCMRGOTYTKT-UHFFFAOYSA-N -1 3 375.400 0.564 20 0 GCADHM c1ccc(-n2nnnc2N2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1 ZINC000826519875 608773385 /nfs/dbraw/zinc/77/33/85/608773385.db2.gz RWIWCMRGOTYTKT-UHFFFAOYSA-N -1 3 375.400 0.564 20 0 GCADHM O=c1cc(CN2CCN(c3cnccc3-c3nnn[n-]3)CC2)nc2ccccn12 ZINC000826501839 608773441 /nfs/dbraw/zinc/77/34/41/608773441.db2.gz JCUIKBDQOVRWMM-UHFFFAOYSA-N -1 3 389.423 0.592 20 0 GCADHM O=c1cc(CN2CCN(c3cnccc3-c3nn[n-]n3)CC2)nc2ccccn12 ZINC000826501839 608773442 /nfs/dbraw/zinc/77/34/42/608773442.db2.gz JCUIKBDQOVRWMM-UHFFFAOYSA-N -1 3 389.423 0.592 20 0 GCADHM COCCNS(=O)(=O)c1ccc(CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826160579 608774444 /nfs/dbraw/zinc/77/44/44/608774444.db2.gz XTZDNZQPVCWLDX-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM COCCNS(=O)(=O)c1ccc(CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826160579 608774448 /nfs/dbraw/zinc/77/44/48/608774448.db2.gz XTZDNZQPVCWLDX-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM O=C(c1ccc(CNc2cnccc2-c2nnn[n-]2)cc1)N1CCNC(=O)C1 ZINC000826480996 608775136 /nfs/dbraw/zinc/77/51/36/608775136.db2.gz BHMVZVOYXQAADU-UHFFFAOYSA-N -1 3 378.396 0.446 20 0 GCADHM O=C(c1ccc(CNc2cnccc2-c2nn[n-]n2)cc1)N1CCNC(=O)C1 ZINC000826480996 608775139 /nfs/dbraw/zinc/77/51/39/608775139.db2.gz BHMVZVOYXQAADU-UHFFFAOYSA-N -1 3 378.396 0.446 20 0 GCADHM O=S1(=O)N=C(N2CCN(c3cnccc3-c3nnn[n-]3)CC2)c2ccccc21 ZINC000826496682 608775395 /nfs/dbraw/zinc/77/53/95/608775395.db2.gz FGLKNGGJFVOHBZ-UHFFFAOYSA-N -1 3 396.436 0.533 20 0 GCADHM O=S1(=O)N=C(N2CCN(c3cnccc3-c3nn[n-]n3)CC2)c2ccccc21 ZINC000826496682 608775396 /nfs/dbraw/zinc/77/53/96/608775396.db2.gz FGLKNGGJFVOHBZ-UHFFFAOYSA-N -1 3 396.436 0.533 20 0 GCADHM O=C(Nc1ccncc1-c1nn[n-]n1)c1nccn2c(Br)cnc12 ZINC000826458766 608782071 /nfs/dbraw/zinc/78/20/71/608782071.db2.gz DXILQKHIRWSFMA-UHFFFAOYSA-N -1 3 386.173 0.741 20 0 GCADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000825627307 608808181 /nfs/dbraw/zinc/80/81/81/608808181.db2.gz WYELZMAUURRSGI-CYBMUJFWSA-N -1 3 391.432 0.080 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000824884375 608825601 /nfs/dbraw/zinc/82/56/01/608825601.db2.gz NVFKVJDZQHWCGI-WZRBSPASSA-N -1 3 394.457 0.217 20 0 GCADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000824884375 608825603 /nfs/dbraw/zinc/82/56/03/608825603.db2.gz NVFKVJDZQHWCGI-WZRBSPASSA-N -1 3 394.457 0.217 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)CCNC(=O)N(C)C)c(-c2nnn[n-]2)c1C ZINC000826340825 608829211 /nfs/dbraw/zinc/82/92/11/608829211.db2.gz MIVLAZUJCOBMFV-JTQLQIEISA-N -1 3 378.437 0.607 20 0 GCADHM Cc1oc(NC(=O)[C@H](C)N(C)CCNC(=O)N(C)C)c(-c2nn[n-]n2)c1C ZINC000826340825 608829215 /nfs/dbraw/zinc/82/92/15/608829215.db2.gz MIVLAZUJCOBMFV-JTQLQIEISA-N -1 3 378.437 0.607 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1ccc(N(C)C)nc1 ZINC000824999747 608839694 /nfs/dbraw/zinc/83/96/94/608839694.db2.gz JBVHUJAGNDZFCF-CYBMUJFWSA-N -1 3 380.460 0.828 20 0 GCADHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1ccc(N(C)C)nc1 ZINC000824999747 608839698 /nfs/dbraw/zinc/83/96/98/608839698.db2.gz JBVHUJAGNDZFCF-CYBMUJFWSA-N -1 3 380.460 0.828 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)Nc1ccc(CO)cc1 ZINC000826420043 608875136 /nfs/dbraw/zinc/87/51/36/608875136.db2.gz WLIZWKILICOMMI-UHFFFAOYSA-N -1 3 387.421 0.913 20 0 GCADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)Nc1ccc(CO)cc1 ZINC000826420043 608875139 /nfs/dbraw/zinc/87/51/39/608875139.db2.gz WLIZWKILICOMMI-UHFFFAOYSA-N -1 3 387.421 0.913 20 0 GCADHM CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823982297 609133784 /nfs/dbraw/zinc/13/37/84/609133784.db2.gz ZIKWKICSDKMFNN-HOTGVXAUSA-N -1 3 397.439 0.489 20 0 GCADHM CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823982297 609133785 /nfs/dbraw/zinc/13/37/85/609133785.db2.gz ZIKWKICSDKMFNN-HOTGVXAUSA-N -1 3 397.439 0.489 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)n1cccn1 ZINC000824039995 609133951 /nfs/dbraw/zinc/13/39/51/609133951.db2.gz KJFIEZMFICKZJU-DOMZBBRYSA-N -1 3 380.412 0.936 20 0 GCADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)n1cccn1 ZINC000824039995 609133953 /nfs/dbraw/zinc/13/39/53/609133953.db2.gz KJFIEZMFICKZJU-DOMZBBRYSA-N -1 3 380.412 0.936 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000826258992 609134151 /nfs/dbraw/zinc/13/41/51/609134151.db2.gz DKMOMUXARGPCKK-AWEZNQCLSA-N -1 3 380.412 0.834 20 0 GCADHM Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000826258992 609134153 /nfs/dbraw/zinc/13/41/53/609134153.db2.gz DKMOMUXARGPCKK-AWEZNQCLSA-N -1 3 380.412 0.834 20 0 GCADHM O=C(CN1CCCC1=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826410646 609134973 /nfs/dbraw/zinc/13/49/73/609134973.db2.gz TZJTTWKFZKNDKP-AWEZNQCLSA-N -1 3 383.412 0.101 20 0 GCADHM O=C(CN1CCCC1=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826410646 609134974 /nfs/dbraw/zinc/13/49/74/609134974.db2.gz TZJTTWKFZKNDKP-AWEZNQCLSA-N -1 3 383.412 0.101 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826131960 609144211 /nfs/dbraw/zinc/14/42/11/609144211.db2.gz AIWPXVDFPXBCCQ-SMDDNHRTSA-N -1 3 377.376 0.932 20 0 GCADHM COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826131960 609144215 /nfs/dbraw/zinc/14/42/15/609144215.db2.gz AIWPXVDFPXBCCQ-SMDDNHRTSA-N -1 3 377.376 0.932 20 0 GCADHM Cc1cc(C(=O)N(C)CCS(C)(=O)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257227 609153117 /nfs/dbraw/zinc/15/31/17/609153117.db2.gz TUGOLDJUVXYSDJ-UHFFFAOYSA-N -1 3 389.441 0.477 20 0 GCADHM Cc1cc(C(=O)N(C)CCS(C)(=O)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257227 609153118 /nfs/dbraw/zinc/15/31/18/609153118.db2.gz TUGOLDJUVXYSDJ-UHFFFAOYSA-N -1 3 389.441 0.477 20 0 GCADHM Cc1cc(C(=O)N2CCC3(C2)OCCO3)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257648 609153327 /nfs/dbraw/zinc/15/33/27/609153327.db2.gz KMHRMWXNKTTZLM-UHFFFAOYSA-N -1 3 381.396 0.950 20 0 GCADHM Cc1cc(C(=O)N2CCC3(C2)OCCO3)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257648 609153329 /nfs/dbraw/zinc/15/33/29/609153329.db2.gz KMHRMWXNKTTZLM-UHFFFAOYSA-N -1 3 381.396 0.950 20 0 GCADHM Cc1cc(C(=O)N2CCNC(=O)[C@H]2C(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258526 609153335 /nfs/dbraw/zinc/15/33/35/609153335.db2.gz NUSLCEAWHQYFGZ-MRXNPFEDSA-N -1 3 394.439 0.957 20 0 GCADHM Cc1cc(C(=O)N2CCNC(=O)[C@H]2C(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258526 609153337 /nfs/dbraw/zinc/15/33/37/609153337.db2.gz NUSLCEAWHQYFGZ-MRXNPFEDSA-N -1 3 394.439 0.957 20 0 GCADHM Cc1cc(C(=O)NCCN2C(=O)CCC2=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258917 609154877 /nfs/dbraw/zinc/15/48/77/609154877.db2.gz BCWYFHNHBSBWJB-UHFFFAOYSA-N -1 3 394.395 0.240 20 0 GCADHM Cc1cc(C(=O)NCCN2C(=O)CCC2=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258917 609154879 /nfs/dbraw/zinc/15/48/79/609154879.db2.gz BCWYFHNHBSBWJB-UHFFFAOYSA-N -1 3 394.395 0.240 20 0 GCADHM Cc1cc(C(=O)NC[C@H](O)C2CCOCC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259393 609157008 /nfs/dbraw/zinc/15/70/08/609157008.db2.gz QMKFOHRDTXNDPM-KRWDZBQOSA-N -1 3 397.439 0.878 20 0 GCADHM Cc1cc(C(=O)NC[C@H](O)C2CCOCC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259393 609157009 /nfs/dbraw/zinc/15/70/09/609157009.db2.gz QMKFOHRDTXNDPM-KRWDZBQOSA-N -1 3 397.439 0.878 20 0 GCADHM Cc1cc(C(=O)NC[C@@H](O)c2cnn(C)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259151 609158535 /nfs/dbraw/zinc/15/85/35/609158535.db2.gz JLLNZQLQBYVITI-MRXNPFEDSA-N -1 3 393.411 0.558 20 0 GCADHM Cc1cc(C(=O)NC[C@@H](O)c2cnn(C)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259151 609158536 /nfs/dbraw/zinc/15/85/36/609158536.db2.gz JLLNZQLQBYVITI-MRXNPFEDSA-N -1 3 393.411 0.558 20 0 GCADHM Cc1cc(C(=O)NC[C@H](O)c2cnn(C)c2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259150 609158790 /nfs/dbraw/zinc/15/87/90/609158790.db2.gz JLLNZQLQBYVITI-INIZCTEOSA-N -1 3 393.411 0.558 20 0 GCADHM Cc1cc(C(=O)NC[C@H](O)c2cnn(C)c2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259150 609158791 /nfs/dbraw/zinc/15/87/91/609158791.db2.gz JLLNZQLQBYVITI-INIZCTEOSA-N -1 3 393.411 0.558 20 0 GCADHM Cc1cc(C(=O)Nc2cc(C(N)=O)[nH]n2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260491 609163611 /nfs/dbraw/zinc/16/36/11/609163611.db2.gz QQXCMTHMLCJBEI-UHFFFAOYSA-N -1 3 378.356 0.435 20 0 GCADHM Cc1cc(C(=O)Nc2cc(C(N)=O)[nH]n2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260491 609163612 /nfs/dbraw/zinc/16/36/12/609163612.db2.gz QQXCMTHMLCJBEI-UHFFFAOYSA-N -1 3 378.356 0.435 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@H]2CCCO2)c(-c2nnn[n-]2)cn1CCOC ZINC000825559544 609169341 /nfs/dbraw/zinc/16/93/41/609169341.db2.gz HFBUNIZYZYXMOV-LLVKDONJSA-N -1 3 392.416 0.999 20 0 GCADHM CCOC(=O)c1c(NC(=O)C[C@H]2CCCO2)c(-c2nn[n-]n2)cn1CCOC ZINC000825559544 609169343 /nfs/dbraw/zinc/16/93/43/609169343.db2.gz HFBUNIZYZYXMOV-LLVKDONJSA-N -1 3 392.416 0.999 20 0 GCADHM COc1nc(C)ccc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826221670 609175962 /nfs/dbraw/zinc/17/59/62/609175962.db2.gz PLVAZXNKDDOMOS-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM COc1nc(C)ccc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826221670 609175964 /nfs/dbraw/zinc/17/59/64/609175964.db2.gz PLVAZXNKDDOMOS-UHFFFAOYSA-N -1 3 380.412 0.936 20 0 GCADHM O=c1onc(-c2cccs2)n1Cc1cc(=O)n2ncc(-c3nnn[n-]3)c2[nH]1 ZINC000826502032 609176529 /nfs/dbraw/zinc/17/65/29/609176529.db2.gz RMFWDJHLPYORMY-UHFFFAOYSA-N -1 3 383.353 0.542 20 0 GCADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826174624 609177409 /nfs/dbraw/zinc/17/74/09/609177409.db2.gz DGGIROIMAFQIAX-NSHDSACASA-N -1 3 386.412 0.381 20 0 GCADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826174624 609177411 /nfs/dbraw/zinc/17/74/11/609177411.db2.gz DGGIROIMAFQIAX-NSHDSACASA-N -1 3 386.412 0.381 20 0 GCADHM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826434566 609177812 /nfs/dbraw/zinc/17/78/12/609177812.db2.gz QNBVENLIYYTZQQ-DYVFJYSZSA-N -1 3 395.467 0.963 20 0 GCADHM CCc1nnc2n1C[C@@H](NC(=O)NCc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000825771684 609180288 /nfs/dbraw/zinc/18/02/88/609180288.db2.gz NZTJWMINTPOKRZ-LBPRGKRZSA-N -1 3 385.407 0.974 20 0 GCADHM CCc1nnc2n1C[C@@H](NC(=O)NCc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000825771684 609180289 /nfs/dbraw/zinc/18/02/89/609180289.db2.gz NZTJWMINTPOKRZ-LBPRGKRZSA-N -1 3 385.407 0.974 20 0 GCADHM CN(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC000825845683 609181969 /nfs/dbraw/zinc/18/19/69/609181969.db2.gz LPMCNTQYJXPKSF-UHFFFAOYSA-N -1 3 393.473 0.633 20 0 GCADHM CN(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC000825845683 609181970 /nfs/dbraw/zinc/18/19/70/609181970.db2.gz LPMCNTQYJXPKSF-UHFFFAOYSA-N -1 3 393.473 0.633 20 0 GCADHM O=C(N[C@H]1CC[C@H](O)CC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826430433 609182267 /nfs/dbraw/zinc/18/22/67/609182267.db2.gz BYCDJYISHWTVQP-BPUTZDHNSA-N -1 3 399.455 0.965 20 0 GCADHM O=C(N[C@H]1CC[C@H](O)CC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826430433 609182269 /nfs/dbraw/zinc/18/22/69/609182269.db2.gz BYCDJYISHWTVQP-BPUTZDHNSA-N -1 3 399.455 0.965 20 0 GCADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826441795 609188610 /nfs/dbraw/zinc/18/86/10/609188610.db2.gz VJOJTENHPIPVHO-CYBMUJFWSA-N -1 3 392.391 0.727 20 0 GCADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)NC[C@@H]1COC2(CCOCC2)O1 ZINC000826441795 609188611 /nfs/dbraw/zinc/18/86/11/609188611.db2.gz VJOJTENHPIPVHO-CYBMUJFWSA-N -1 3 392.391 0.727 20 0 GCADHM C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000824976121 609188899 /nfs/dbraw/zinc/18/88/99/609188899.db2.gz NDSAVOURGRTOFA-IOASZLSFSA-N -1 3 388.472 0.904 20 0 GCADHM O=C(NCc1ccc(Cn2cncn2)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442220 609189687 /nfs/dbraw/zinc/18/96/87/609189687.db2.gz NNVDKXRMHDXSNG-KRWDZBQOSA-N -1 3 390.407 0.856 20 0 GCADHM O=C(NCc1ccc(Cn2cncn2)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442220 609189688 /nfs/dbraw/zinc/18/96/88/609189688.db2.gz NNVDKXRMHDXSNG-KRWDZBQOSA-N -1 3 390.407 0.856 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431603 609192645 /nfs/dbraw/zinc/19/26/45/609192645.db2.gz GITTURBPTLETQE-GOEBONIOSA-N -1 3 399.432 0.935 20 0 GCADHM O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431603 609192646 /nfs/dbraw/zinc/19/26/46/609192646.db2.gz GITTURBPTLETQE-GOEBONIOSA-N -1 3 399.432 0.935 20 0 GCADHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000824293841 609192888 /nfs/dbraw/zinc/19/28/88/609192888.db2.gz ZJGPNQQYZPKQQC-UHFFFAOYSA-N -1 3 397.443 0.940 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825875172 609193688 /nfs/dbraw/zinc/19/36/88/609193688.db2.gz CAQMRYUVHRYVLF-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825875172 609193690 /nfs/dbraw/zinc/19/36/90/609193690.db2.gz CAQMRYUVHRYVLF-UHFFFAOYSA-N -1 3 375.414 0.375 20 0 GCADHM COCCOc1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826162558 609199396 /nfs/dbraw/zinc/19/93/96/609199396.db2.gz IEKRTSLCFDZACY-INIZCTEOSA-N -1 3 384.396 0.637 20 0 GCADHM COCCOc1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826162558 609199397 /nfs/dbraw/zinc/19/93/97/609199397.db2.gz IEKRTSLCFDZACY-INIZCTEOSA-N -1 3 384.396 0.637 20 0 GCADHM CNC(=O)c1ccc(OC)c(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826068303 609201238 /nfs/dbraw/zinc/20/12/38/609201238.db2.gz QRCNPYQSCSSGMV-OAHLLOKOSA-N -1 3 382.380 0.907 20 0 GCADHM CNC(=O)c1ccc(OC)c(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826068303 609201239 /nfs/dbraw/zinc/20/12/39/609201239.db2.gz QRCNPYQSCSSGMV-OAHLLOKOSA-N -1 3 382.380 0.907 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826441508 609201974 /nfs/dbraw/zinc/20/19/74/609201974.db2.gz HXHPNEUOHPKQHJ-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM O=C(NCc1ccc(-n2cncn2)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826441508 609201976 /nfs/dbraw/zinc/20/19/76/609201976.db2.gz HXHPNEUOHPKQHJ-INIZCTEOSA-N -1 3 376.380 0.797 20 0 GCADHM C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000824968520 609202373 /nfs/dbraw/zinc/20/23/73/609202373.db2.gz QEYQSRGKPKREEG-IUODEOHRSA-N -1 3 385.428 0.792 20 0 GCADHM C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000824968520 609202374 /nfs/dbraw/zinc/20/23/74/609202374.db2.gz QEYQSRGKPKREEG-IUODEOHRSA-N -1 3 385.428 0.792 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC(O)CC1 ZINC000826430667 609203026 /nfs/dbraw/zinc/20/30/26/609203026.db2.gz IIRSIZIAJWLHMC-HNNXBMFYSA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC(O)CC1 ZINC000826430667 609203028 /nfs/dbraw/zinc/20/30/28/609203028.db2.gz IIRSIZIAJWLHMC-HNNXBMFYSA-N -1 3 385.428 0.528 20 0 GCADHM CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826038170 609203285 /nfs/dbraw/zinc/20/32/85/609203285.db2.gz JGSDJZDSKSEVCU-HNNXBMFYSA-N -1 3 384.444 0.319 20 0 GCADHM CC(C)[C@@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824207049 609203742 /nfs/dbraw/zinc/20/37/42/609203742.db2.gz OMKDQIHVVAPPOM-GJZGRUSLSA-N -1 3 387.444 0.678 20 0 GCADHM CC(C)[C@@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824207049 609203744 /nfs/dbraw/zinc/20/37/44/609203744.db2.gz OMKDQIHVVAPPOM-GJZGRUSLSA-N -1 3 387.444 0.678 20 0 GCADHM CN(C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)[C@@H]1CCOC1 ZINC000825820683 609204256 /nfs/dbraw/zinc/20/42/56/609204256.db2.gz PAGFKONYIBOUHF-CABCVRRESA-N -1 3 385.428 0.792 20 0 GCADHM CN(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)[C@@H]1CCOC1 ZINC000825820683 609204258 /nfs/dbraw/zinc/20/42/58/609204258.db2.gz PAGFKONYIBOUHF-CABCVRRESA-N -1 3 385.428 0.792 20 0 GCADHM CO[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826166745 609204751 /nfs/dbraw/zinc/20/47/51/609204751.db2.gz YWJYEBCXBHWMTM-LSDHHAIUSA-N -1 3 385.428 0.792 20 0 GCADHM CO[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826166745 609204752 /nfs/dbraw/zinc/20/47/52/609204752.db2.gz YWJYEBCXBHWMTM-LSDHHAIUSA-N -1 3 385.428 0.792 20 0 GCADHM Cc1nonc1CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826340143 609205149 /nfs/dbraw/zinc/20/51/49/609205149.db2.gz JKZOSINGCKKLAN-CYBMUJFWSA-N -1 3 397.399 0.553 20 0 GCADHM Cc1nonc1CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826340143 609205151 /nfs/dbraw/zinc/20/51/51/609205151.db2.gz JKZOSINGCKKLAN-CYBMUJFWSA-N -1 3 397.399 0.553 20 0 GCADHM CN(CC(C)(C)O)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825897946 609205999 /nfs/dbraw/zinc/20/59/99/609205999.db2.gz SAKOONWCAJJBGX-AWEZNQCLSA-N -1 3 387.444 0.774 20 0 GCADHM CN(CC(C)(C)O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825897946 609206000 /nfs/dbraw/zinc/20/60/00/609206000.db2.gz SAKOONWCAJJBGX-AWEZNQCLSA-N -1 3 387.444 0.774 20 0 GCADHM COc1ccc(C(=O)NCCNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826187584 609206122 /nfs/dbraw/zinc/20/61/22/609206122.db2.gz XDLGNCXWNBKIMP-MRXNPFEDSA-N -1 3 396.407 0.455 20 0 GCADHM COc1ccc(C(=O)NCCNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826187584 609206124 /nfs/dbraw/zinc/20/61/24/609206124.db2.gz XDLGNCXWNBKIMP-MRXNPFEDSA-N -1 3 396.407 0.455 20 0 GCADHM CC(=O)N1CCN(c2ccccc2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000823980275 609206434 /nfs/dbraw/zinc/20/64/34/609206434.db2.gz AHPWLIBODZQSLQ-UHFFFAOYSA-N -1 3 394.439 0.793 20 0 GCADHM CC(=O)N1CCN(c2ccccc2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000823980275 609206435 /nfs/dbraw/zinc/20/64/35/609206435.db2.gz AHPWLIBODZQSLQ-UHFFFAOYSA-N -1 3 394.439 0.793 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N1CCC[C@@H]1CO ZINC000826476302 609206513 /nfs/dbraw/zinc/20/65/13/609206513.db2.gz FFIUAUPRCQBTBT-CABCVRRESA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N1CCC[C@@H]1CO ZINC000826476302 609206514 /nfs/dbraw/zinc/20/65/14/609206514.db2.gz FFIUAUPRCQBTBT-CABCVRRESA-N -1 3 385.428 0.528 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N[C@H]1CCCC[C@@H]1O ZINC000826430896 609206546 /nfs/dbraw/zinc/20/65/46/609206546.db2.gz MLJVEOWNTXHCAS-XHSDSOJGSA-N -1 3 399.455 0.965 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N[C@H]1CCCC[C@@H]1O ZINC000826430896 609206547 /nfs/dbraw/zinc/20/65/47/609206547.db2.gz MLJVEOWNTXHCAS-XHSDSOJGSA-N -1 3 399.455 0.965 20 0 GCADHM O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435522 609209696 /nfs/dbraw/zinc/20/96/96/609209696.db2.gz QGJWYNWHTKMYLB-GXFFZTMASA-N -1 3 384.362 0.901 20 0 GCADHM O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435522 609209697 /nfs/dbraw/zinc/20/96/97/609209697.db2.gz QGJWYNWHTKMYLB-GXFFZTMASA-N -1 3 384.362 0.901 20 0 GCADHM C[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccccc1 ZINC000824470319 609210388 /nfs/dbraw/zinc/21/03/88/609210388.db2.gz HKGRMTFKAOPMHI-BLLLJJGKSA-N -1 3 380.408 0.721 20 0 GCADHM C[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccccc1 ZINC000824470319 609210389 /nfs/dbraw/zinc/21/03/89/609210389.db2.gz HKGRMTFKAOPMHI-BLLLJJGKSA-N -1 3 380.408 0.721 20 0 GCADHM COc1cc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C(N)=O)cc1OC ZINC000826180488 609215433 /nfs/dbraw/zinc/21/54/33/609215433.db2.gz JSFZEKKSFDEGRC-HNNXBMFYSA-N -1 3 398.379 0.655 20 0 GCADHM COc1cc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C(N)=O)cc1OC ZINC000826180488 609215435 /nfs/dbraw/zinc/21/54/35/609215435.db2.gz JSFZEKKSFDEGRC-HNNXBMFYSA-N -1 3 398.379 0.655 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000826398769 609217020 /nfs/dbraw/zinc/21/70/20/609217020.db2.gz FSXVOSLZECFFPQ-KBPBESRZSA-N -1 3 388.453 0.424 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000826398769 609217021 /nfs/dbraw/zinc/21/70/21/609217021.db2.gz FSXVOSLZECFFPQ-KBPBESRZSA-N -1 3 388.453 0.424 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000824364363 609217943 /nfs/dbraw/zinc/21/79/43/609217943.db2.gz CKEJKVLXAMGTAK-ZFWWWQNUSA-N -1 3 382.428 0.746 20 0 GCADHM CC(C)c1nnc2n1C[C@@H](NC(=O)[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000824364363 609217944 /nfs/dbraw/zinc/21/79/44/609217944.db2.gz CKEJKVLXAMGTAK-ZFWWWQNUSA-N -1 3 382.428 0.746 20 0 GCADHM Cc1cc(C(=O)N2CCCN(C(N)=O)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257475 609219671 /nfs/dbraw/zinc/21/96/71/609219671.db2.gz DTTKGWVFZFZQPO-UHFFFAOYSA-N -1 3 395.427 0.587 20 0 GCADHM Cc1cc(C(=O)N2CCCN(C(N)=O)CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257475 609219673 /nfs/dbraw/zinc/21/96/73/609219673.db2.gz DTTKGWVFZFZQPO-UHFFFAOYSA-N -1 3 395.427 0.587 20 0 GCADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCc2ccccc2C1 ZINC000826433081 609220224 /nfs/dbraw/zinc/22/02/24/609220224.db2.gz TUXWZOMILCILRA-GOSISDBHSA-N -1 3 392.419 0.601 20 0 GCADHM O=C(CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCc2ccccc2C1 ZINC000826433081 609220226 /nfs/dbraw/zinc/22/02/26/609220226.db2.gz TUXWZOMILCILRA-GOSISDBHSA-N -1 3 392.419 0.601 20 0 GCADHM Cc1nnnn1-c1cc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)ccc1F ZINC000826338066 609222708 /nfs/dbraw/zinc/22/27/08/609222708.db2.gz JUJWTORJLRMLIQ-OAHLLOKOSA-N -1 3 395.358 0.962 20 0 GCADHM Cc1nnnn1-c1cc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826338066 609222710 /nfs/dbraw/zinc/22/27/10/609222710.db2.gz JUJWTORJLRMLIQ-OAHLLOKOSA-N -1 3 395.358 0.962 20 0 GCADHM COCCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826157681 609223644 /nfs/dbraw/zinc/22/36/44/609223644.db2.gz GYRGEVCULVEMOM-HNNXBMFYSA-N -1 3 391.428 0.717 20 0 GCADHM COCCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826157681 609223645 /nfs/dbraw/zinc/22/36/45/609223645.db2.gz GYRGEVCULVEMOM-HNNXBMFYSA-N -1 3 391.428 0.717 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826431587 609224407 /nfs/dbraw/zinc/22/44/07/609224407.db2.gz GEIMKGRHMFMEQK-UHFFFAOYSA-N -1 3 393.351 0.239 20 0 GCADHM O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826431587 609224409 /nfs/dbraw/zinc/22/44/09/609224409.db2.gz GEIMKGRHMFMEQK-UHFFFAOYSA-N -1 3 393.351 0.239 20 0 GCADHM Cc1ccc(N2CCCN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)nn1 ZINC000826290340 609225557 /nfs/dbraw/zinc/22/55/57/609225557.db2.gz JWDNSEDMVVHMHL-KRWDZBQOSA-N -1 3 394.439 0.737 20 0 GCADHM Cc1ccc(N2CCCN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000826290340 609225559 /nfs/dbraw/zinc/22/55/59/609225559.db2.gz JWDNSEDMVVHMHL-KRWDZBQOSA-N -1 3 394.439 0.737 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825210639 609226002 /nfs/dbraw/zinc/22/60/02/609226002.db2.gz ISDOINSAUMCRCQ-YPMHNXCESA-N -1 3 395.489 0.763 20 0 GCADHM CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825210639 609226004 /nfs/dbraw/zinc/22/60/04/609226004.db2.gz ISDOINSAUMCRCQ-YPMHNXCESA-N -1 3 395.489 0.763 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000826397201 609226321 /nfs/dbraw/zinc/22/63/21/609226321.db2.gz WYOFWKLDBIKYIE-INIZCTEOSA-N -1 3 380.412 0.793 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCC(Nc2cccnn2)CC1 ZINC000826397201 609226324 /nfs/dbraw/zinc/22/63/24/609226324.db2.gz WYOFWKLDBIKYIE-INIZCTEOSA-N -1 3 380.412 0.793 20 0 GCADHM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833572 609226649 /nfs/dbraw/zinc/22/66/49/609226649.db2.gz IKMWQXJALCUKSG-SJORKVTESA-N -1 3 394.435 0.716 20 0 GCADHM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833572 609226651 /nfs/dbraw/zinc/22/66/51/609226651.db2.gz IKMWQXJALCUKSG-SJORKVTESA-N -1 3 394.435 0.716 20 0 GCADHM CCc1nc(CN2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CC2)no1 ZINC000825745797 609226726 /nfs/dbraw/zinc/22/67/26/609226726.db2.gz PDARKEKIUMFRQB-MRXNPFEDSA-N -1 3 398.427 0.190 20 0 GCADHM CCc1nc(CN2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)no1 ZINC000825745797 609226728 /nfs/dbraw/zinc/22/67/28/609226728.db2.gz PDARKEKIUMFRQB-MRXNPFEDSA-N -1 3 398.427 0.190 20 0 GCADHM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825833570 609226798 /nfs/dbraw/zinc/22/67/98/609226798.db2.gz IKMWQXJALCUKSG-IAGOWNOFSA-N -1 3 394.435 0.716 20 0 GCADHM CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825833570 609226799 /nfs/dbraw/zinc/22/67/99/609226799.db2.gz IKMWQXJALCUKSG-IAGOWNOFSA-N -1 3 394.435 0.716 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390726 609227205 /nfs/dbraw/zinc/22/72/05/609227205.db2.gz KCOCFTBGFMDCKZ-CVEARBPZSA-N -1 3 378.392 0.511 20 0 GCADHM NC(=O)[C@H]1c2ccccc2CCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390726 609227206 /nfs/dbraw/zinc/22/72/06/609227206.db2.gz KCOCFTBGFMDCKZ-CVEARBPZSA-N -1 3 378.392 0.511 20 0 GCADHM CC(C)(C)[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1nc(-c2nc[nH]n2)no1 ZINC000824072729 609227559 /nfs/dbraw/zinc/22/75/59/609227559.db2.gz YUKDPRBCEWOXOU-VIFPVBQESA-N -1 3 383.376 0.880 20 0 GCADHM O=C(NCCCNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000826437090 609228861 /nfs/dbraw/zinc/22/88/61/609228861.db2.gz VUHNZBYBMVUPBG-MRXNPFEDSA-N -1 3 398.398 0.976 20 0 GCADHM O=C(NCCCNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000826437090 609228863 /nfs/dbraw/zinc/22/88/63/609228863.db2.gz VUHNZBYBMVUPBG-MRXNPFEDSA-N -1 3 398.398 0.976 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000826397655 609229151 /nfs/dbraw/zinc/22/91/51/609229151.db2.gz IFBYPRNFJWIAFI-SJORKVTESA-N -1 3 386.456 0.613 20 0 GCADHM O=C([C@@H](O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC[C@@H]1CN1CCOCC1 ZINC000826397655 609229152 /nfs/dbraw/zinc/22/91/52/609229152.db2.gz IFBYPRNFJWIAFI-SJORKVTESA-N -1 3 386.456 0.613 20 0 GCADHM CN(C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000825812695 609229899 /nfs/dbraw/zinc/22/98/99/609229899.db2.gz RGFTZZXSMWAROM-RYUDHWBXSA-N -1 3 398.345 0.522 20 0 GCADHM CN(C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000825812695 609229901 /nfs/dbraw/zinc/22/99/01/609229901.db2.gz RGFTZZXSMWAROM-RYUDHWBXSA-N -1 3 398.345 0.522 20 0 GCADHM O=C(NCCCc1nnc2n1CCCCC2)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826437436 609230184 /nfs/dbraw/zinc/23/01/84/609230184.db2.gz LRVUOCAJLGVVEV-KRWDZBQOSA-N -1 3 396.455 0.967 20 0 GCADHM O=C(NCCCc1nnc2n1CCCCC2)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826437436 609230185 /nfs/dbraw/zinc/23/01/85/609230185.db2.gz LRVUOCAJLGVVEV-KRWDZBQOSA-N -1 3 396.455 0.967 20 0 GCADHM COCCN(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000826158254 609231003 /nfs/dbraw/zinc/23/10/03/609231003.db2.gz HTDMKVVBPJZJSF-UHFFFAOYSA-N -1 3 379.421 0.808 20 0 GCADHM COCCN(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000826158254 609231005 /nfs/dbraw/zinc/23/10/05/609231005.db2.gz HTDMKVVBPJZJSF-UHFFFAOYSA-N -1 3 379.421 0.808 20 0 GCADHM CC[C@H](C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)N1CCCC1=O ZINC000825039133 609233677 /nfs/dbraw/zinc/23/36/77/609233677.db2.gz MSSJWZNNLMIUSV-CQSZACIVSA-N -1 3 395.427 0.846 20 0 GCADHM CC[C@H](C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)N1CCCC1=O ZINC000825039133 609233679 /nfs/dbraw/zinc/23/36/79/609233679.db2.gz MSSJWZNNLMIUSV-CQSZACIVSA-N -1 3 395.427 0.846 20 0 GCADHM Cc1ccc(N2CCC[C@H](NC(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000826289593 609233818 /nfs/dbraw/zinc/23/38/18/609233818.db2.gz GKLCTYVKNULJQP-DOTOQJQBSA-N -1 3 394.439 0.784 20 0 GCADHM Cc1ccc(N2CCC[C@H](NC(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000826289593 609233819 /nfs/dbraw/zinc/23/38/19/609233819.db2.gz GKLCTYVKNULJQP-DOTOQJQBSA-N -1 3 394.439 0.784 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826073359 609235495 /nfs/dbraw/zinc/23/54/95/609235495.db2.gz PIMYCPXRCJGBPY-INIZCTEOSA-N -1 3 380.408 0.619 20 0 GCADHM CNC(=O)c1cccc(CCNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826073359 609235496 /nfs/dbraw/zinc/23/54/96/609235496.db2.gz PIMYCPXRCJGBPY-INIZCTEOSA-N -1 3 380.408 0.619 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826222149 609237034 /nfs/dbraw/zinc/23/70/34/609237034.db2.gz LDRFMEPBZKNBEX-MCIONIFRSA-N -1 3 379.442 0.372 20 0 GCADHM CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826222149 609237036 /nfs/dbraw/zinc/23/70/36/609237036.db2.gz LDRFMEPBZKNBEX-MCIONIFRSA-N -1 3 379.442 0.372 20 0 GCADHM COC(=O)[C@H](CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826104488 609238133 /nfs/dbraw/zinc/23/81/33/609238133.db2.gz XJFLPYBEGJRABS-HZPDHXFCSA-N -1 3 381.392 0.973 20 0 GCADHM COC(=O)[C@H](CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826104488 609238135 /nfs/dbraw/zinc/23/81/35/609238135.db2.gz XJFLPYBEGJRABS-HZPDHXFCSA-N -1 3 381.392 0.973 20 0 GCADHM COC(=O)[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826104486 609238139 /nfs/dbraw/zinc/23/81/39/609238139.db2.gz XJFLPYBEGJRABS-CVEARBPZSA-N -1 3 381.392 0.973 20 0 GCADHM COC(=O)[C@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826104486 609238141 /nfs/dbraw/zinc/23/81/41/609238141.db2.gz XJFLPYBEGJRABS-CVEARBPZSA-N -1 3 381.392 0.973 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826391258 609240227 /nfs/dbraw/zinc/24/02/27/609240227.db2.gz CUFDIFGQUKUWLI-INIZCTEOSA-N -1 3 382.380 0.081 20 0 GCADHM NC(=O)COc1cccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826391258 609240228 /nfs/dbraw/zinc/24/02/28/609240228.db2.gz CUFDIFGQUKUWLI-INIZCTEOSA-N -1 3 382.380 0.081 20 0 GCADHM COCCOc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC000826160915 609246010 /nfs/dbraw/zinc/24/60/10/609246010.db2.gz MKGVVXLLQWZBBF-OAHLLOKOSA-N -1 3 398.379 0.670 20 0 GCADHM COCCOc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC000826160915 609246012 /nfs/dbraw/zinc/24/60/12/609246012.db2.gz MKGVVXLLQWZBBF-OAHLLOKOSA-N -1 3 398.379 0.670 20 0 GCADHM O=C(NCc1ccc2c(c1)CCS2(=O)=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442270 609246448 /nfs/dbraw/zinc/24/64/48/609246448.db2.gz OZUCBEABQJHDHE-MRXNPFEDSA-N -1 3 399.432 0.546 20 0 GCADHM O=C(NCc1ccc2c(c1)CCS2(=O)=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442270 609246450 /nfs/dbraw/zinc/24/64/50/609246450.db2.gz OZUCBEABQJHDHE-MRXNPFEDSA-N -1 3 399.432 0.546 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)CCO2)cn1 ZINC000826359492 609247583 /nfs/dbraw/zinc/24/75/83/609247583.db2.gz INKKJDIITSRGGB-QAPCUYQASA-N -1 3 383.412 0.408 20 0 GCADHM Cn1cc([C@]2(C)CN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CCO2)cn1 ZINC000826359492 609247585 /nfs/dbraw/zinc/24/75/85/609247585.db2.gz INKKJDIITSRGGB-QAPCUYQASA-N -1 3 383.412 0.408 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826165942 609247695 /nfs/dbraw/zinc/24/76/95/609247695.db2.gz OSONKCZOTPCQAD-TZMCWYRMSA-N -1 3 384.400 0.289 20 0 GCADHM COCc1nc2n(n1)CCC[C@H]2NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826165942 609247697 /nfs/dbraw/zinc/24/76/97/609247697.db2.gz OSONKCZOTPCQAD-TZMCWYRMSA-N -1 3 384.400 0.289 20 0 GCADHM CCc1n[nH]c(=O)c(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1CC ZINC000825739785 609248890 /nfs/dbraw/zinc/24/88/90/609248890.db2.gz JUYLCIJQKYTNLV-HNNXBMFYSA-N -1 3 383.412 0.837 20 0 GCADHM CCc1n[nH]c(=O)c(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1CC ZINC000825739785 609248891 /nfs/dbraw/zinc/24/88/91/609248891.db2.gz JUYLCIJQKYTNLV-HNNXBMFYSA-N -1 3 383.412 0.837 20 0 GCADHM O=C(C[C@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000826405126 609250328 /nfs/dbraw/zinc/25/03/28/609250328.db2.gz WLQVRBKUMRDKDU-WMLDXEAASA-N -1 3 397.391 0.994 20 0 GCADHM O=C(C[C@H]1COCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000826405126 609250329 /nfs/dbraw/zinc/25/03/29/609250329.db2.gz WLQVRBKUMRDKDU-WMLDXEAASA-N -1 3 397.391 0.994 20 0 GCADHM COc1cc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc(OC)c1O ZINC000826179134 609250624 /nfs/dbraw/zinc/25/06/24/609250624.db2.gz AJGPLLDDBKCYJD-HNNXBMFYSA-N -1 3 385.380 0.939 20 0 GCADHM COc1cc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc(OC)c1O ZINC000826179134 609250626 /nfs/dbraw/zinc/25/06/26/609250626.db2.gz AJGPLLDDBKCYJD-HNNXBMFYSA-N -1 3 385.380 0.939 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826104153 609250755 /nfs/dbraw/zinc/25/07/55/609250755.db2.gz QQKGRNWSVBJWIT-KGLIPLIRSA-N -1 3 377.401 0.325 20 0 GCADHM COC(=O)[C@@H](COC(C)C)N(C)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826104153 609250756 /nfs/dbraw/zinc/25/07/56/609250756.db2.gz QQKGRNWSVBJWIT-KGLIPLIRSA-N -1 3 377.401 0.325 20 0 GCADHM Cc1cnc(CN(C)[C@@H]2CCN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C2)o1 ZINC000826318574 609251254 /nfs/dbraw/zinc/25/12/54/609251254.db2.gz PRVWYVSHZJZXCE-NVXWUHKLSA-N -1 3 397.439 0.929 20 0 GCADHM Cc1cnc(CN(C)[C@@H]2CCN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C2)o1 ZINC000826318574 609251255 /nfs/dbraw/zinc/25/12/55/609251255.db2.gz PRVWYVSHZJZXCE-NVXWUHKLSA-N -1 3 397.439 0.929 20 0 GCADHM O=C(N[C@H]1CCN(C2CCCCC2)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826431011 609251554 /nfs/dbraw/zinc/25/15/54/609251554.db2.gz POJJHLAVYRYCSY-JKSUJKDBSA-N -1 3 384.440 0.950 20 0 GCADHM O=C(N[C@H]1CCN(C2CCCCC2)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826431011 609251556 /nfs/dbraw/zinc/25/15/56/609251556.db2.gz POJJHLAVYRYCSY-JKSUJKDBSA-N -1 3 384.440 0.950 20 0 GCADHM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826430313 609252907 /nfs/dbraw/zinc/25/29/07/609252907.db2.gz ZBABBNXIHRXIOZ-VXGBXAGGSA-N -1 3 398.345 0.570 20 0 GCADHM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826430313 609252908 /nfs/dbraw/zinc/25/29/08/609252908.db2.gz ZBABBNXIHRXIOZ-VXGBXAGGSA-N -1 3 398.345 0.570 20 0 GCADHM O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826430311 609253282 /nfs/dbraw/zinc/25/32/82/609253282.db2.gz ZBABBNXIHRXIOZ-NWDGAFQWSA-N -1 3 398.345 0.570 20 0 GCADHM O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826430311 609253284 /nfs/dbraw/zinc/25/32/84/609253284.db2.gz ZBABBNXIHRXIOZ-NWDGAFQWSA-N -1 3 398.345 0.570 20 0 GCADHM CN(CC(C)(CO)CO)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000825897101 609255850 /nfs/dbraw/zinc/25/58/50/609255850.db2.gz BXYHAAUWCYIIPF-UHFFFAOYSA-N -1 3 377.445 0.865 20 0 GCADHM CN(CC(C)(CO)CO)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000825897101 609255852 /nfs/dbraw/zinc/25/58/52/609255852.db2.gz BXYHAAUWCYIIPF-UHFFFAOYSA-N -1 3 377.445 0.865 20 0 GCADHM COC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(O)c1 ZINC000826104268 609257244 /nfs/dbraw/zinc/25/72/44/609257244.db2.gz SWOVSBDWSSKSJL-HUUCEWRRSA-N -1 3 383.364 0.636 20 0 GCADHM COC(=O)[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(O)c1 ZINC000826104268 609257246 /nfs/dbraw/zinc/25/72/46/609257246.db2.gz SWOVSBDWSSKSJL-HUUCEWRRSA-N -1 3 383.364 0.636 20 0 GCADHM O=C(Nc1c[nH]cc(Br)c1=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826459622 609257970 /nfs/dbraw/zinc/25/79/70/609257970.db2.gz RHIYZHYLPBSNBT-NSHDSACASA-N -1 3 391.185 0.990 20 0 GCADHM O=C(Nc1c[nH]cc(Br)c1=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826459622 609257971 /nfs/dbraw/zinc/25/79/71/609257971.db2.gz RHIYZHYLPBSNBT-NSHDSACASA-N -1 3 391.185 0.990 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCNC(=O)N(C)C ZINC000824206414 609259558 /nfs/dbraw/zinc/25/95/58/609259558.db2.gz DDGAMEWCQFRGTC-CQSZACIVSA-N -1 3 375.433 0.658 20 0 GCADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCNC(=O)N(C)C ZINC000824206414 609259559 /nfs/dbraw/zinc/25/95/59/609259559.db2.gz DDGAMEWCQFRGTC-CQSZACIVSA-N -1 3 375.433 0.658 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826129409 609261936 /nfs/dbraw/zinc/26/19/36/609261936.db2.gz RAOANTUHRYPVCY-RDBSUJKOSA-N -1 3 375.385 0.079 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826129409 609261937 /nfs/dbraw/zinc/26/19/37/609261937.db2.gz RAOANTUHRYPVCY-RDBSUJKOSA-N -1 3 375.385 0.079 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826129407 609261975 /nfs/dbraw/zinc/26/19/75/609261975.db2.gz RAOANTUHRYPVCY-IHRRRGAJSA-N -1 3 375.385 0.079 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826129407 609261976 /nfs/dbraw/zinc/26/19/76/609261976.db2.gz RAOANTUHRYPVCY-IHRRRGAJSA-N -1 3 375.385 0.079 20 0 GCADHM O=C(C=Cc1ccncn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826403227 609266250 /nfs/dbraw/zinc/26/62/50/609266250.db2.gz MXIUIPXFXXLHDM-KQQSKNTNSA-N -1 3 390.407 0.982 20 0 GCADHM O=C(C=Cc1ccncn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826403227 609266252 /nfs/dbraw/zinc/26/62/52/609266252.db2.gz MXIUIPXFXXLHDM-KQQSKNTNSA-N -1 3 390.407 0.982 20 0 GCADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000824764284 609266935 /nfs/dbraw/zinc/26/69/35/609266935.db2.gz VIZALKPACQEDBX-BBRMVZONSA-N -1 3 376.486 0.732 20 0 GCADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000824764284 609266937 /nfs/dbraw/zinc/26/69/37/609266937.db2.gz VIZALKPACQEDBX-BBRMVZONSA-N -1 3 376.486 0.732 20 0 GCADHM CC(C)(C)OC(=O)N1CC(OCCC(=O)n2ncc(-c3nnn[n-]3)c2N)C1 ZINC000824104386 609267022 /nfs/dbraw/zinc/26/70/22/609267022.db2.gz RDIJABIYMKYPLA-UHFFFAOYSA-N -1 3 378.393 0.312 20 0 GCADHM O=C1CN(CCNC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCN1 ZINC000826481286 609274705 /nfs/dbraw/zinc/27/47/05/609274705.db2.gz OMRKSRKOWDOGOS-UHFFFAOYSA-N -1 3 380.865 0.238 20 0 GCADHM O=C1CN(CCNC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CCN1 ZINC000826481286 609274706 /nfs/dbraw/zinc/27/47/06/609274706.db2.gz OMRKSRKOWDOGOS-UHFFFAOYSA-N -1 3 380.865 0.238 20 0 GCADHM CCOC(=O)Nc1ccc(N2C(=O)[C@H]3COCCN3C2=O)cc1-c1nnn[n-]1 ZINC000825523178 609278468 /nfs/dbraw/zinc/27/84/68/609278468.db2.gz NSATULWSAYIJEP-GFCCVEGCSA-N -1 3 387.356 0.603 20 0 GCADHM CCOC(=O)Nc1ccc(N2C(=O)[C@H]3COCCN3C2=O)cc1-c1nn[n-]n1 ZINC000825523178 609278469 /nfs/dbraw/zinc/27/84/69/609278469.db2.gz NSATULWSAYIJEP-GFCCVEGCSA-N -1 3 387.356 0.603 20 0 GCADHM O=C1[C@H]2COCCN2C(=O)N1C1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826477710 609278734 /nfs/dbraw/zinc/27/87/34/609278734.db2.gz JOWGMJMFAVTHKX-JXQTWKCFSA-N -1 3 399.411 0.615 20 0 GCADHM O=C1[C@H]2COCCN2C(=O)N1C1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826477710 609278736 /nfs/dbraw/zinc/27/87/36/609278736.db2.gz JOWGMJMFAVTHKX-JXQTWKCFSA-N -1 3 399.411 0.615 20 0 GCADHM CCCNC(=O)NC(=O)CNc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825332557 609279725 /nfs/dbraw/zinc/27/97/25/609279725.db2.gz HYBLDNWYJCKQMD-UHFFFAOYSA-N -1 3 387.379 0.839 20 0 GCADHM CCOCCOC1CN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825598724 609282180 /nfs/dbraw/zinc/28/21/80/609282180.db2.gz BGVPBVMRYPJDNA-UHFFFAOYSA-N -1 3 376.417 0.692 20 0 GCADHM Nc1n[nH]c(CNC(=O)Nc2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)n1 ZINC000826396250 609283417 /nfs/dbraw/zinc/28/34/17/609283417.db2.gz OKVWNGCTAAQBSC-UHFFFAOYSA-N -1 3 397.428 0.936 20 0 GCADHM Nc1n[nH]c(CNC(=O)Nc2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)n1 ZINC000826396250 609283420 /nfs/dbraw/zinc/28/34/20/609283420.db2.gz OKVWNGCTAAQBSC-UHFFFAOYSA-N -1 3 397.428 0.936 20 0 GCADHM CC(C)NC(=O)CN1CCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000824300448 609286106 /nfs/dbraw/zinc/28/61/06/609286106.db2.gz HCAQLUYVTIJPHW-UHFFFAOYSA-N -1 3 391.863 0.803 20 0 GCADHM CC(C)NC(=O)CN1CCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000824300448 609286107 /nfs/dbraw/zinc/28/61/07/609286107.db2.gz HCAQLUYVTIJPHW-UHFFFAOYSA-N -1 3 391.863 0.803 20 0 GCADHM O=C(c1cccc(-c2nnn[n-]2)c1)N1CCN(CCn2ccccc2=O)CC1 ZINC000826473747 609286198 /nfs/dbraw/zinc/28/61/98/609286198.db2.gz MHSFBIFTQRKGRZ-UHFFFAOYSA-N -1 3 379.424 0.486 20 0 GCADHM O=C(c1cccc(-c2nn[n-]n2)c1)N1CCN(CCn2ccccc2=O)CC1 ZINC000826473747 609286199 /nfs/dbraw/zinc/28/61/99/609286199.db2.gz MHSFBIFTQRKGRZ-UHFFFAOYSA-N -1 3 379.424 0.486 20 0 GCADHM C[C@H](CS(C)(=O)=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824448629 609287171 /nfs/dbraw/zinc/28/71/71/609287171.db2.gz JEDCLVWQMJFPGP-SECBINFHSA-N -1 3 393.404 0.811 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1)NC1CC1 ZINC000826411247 609287153 /nfs/dbraw/zinc/28/71/53/609287153.db2.gz QOHMETKHHMGODU-UHFFFAOYSA-N -1 3 389.847 0.557 20 0 GCADHM O=C(CN1CCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1)NC1CC1 ZINC000826411247 609287155 /nfs/dbraw/zinc/28/71/55/609287155.db2.gz QOHMETKHHMGODU-UHFFFAOYSA-N -1 3 389.847 0.557 20 0 GCADHM Cc1nnc(CN2CCN(C(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)CC2)[nH]1 ZINC000826325850 609292441 /nfs/dbraw/zinc/29/24/41/609292441.db2.gz OAWOGUWRAIJCCF-UHFFFAOYSA-N -1 3 387.835 0.905 20 0 GCADHM Cn1cnn(CC(=O)OCc2ccc(-c3nnn[n-]3)cc2Br)c1=O ZINC000826365313 609294433 /nfs/dbraw/zinc/29/44/33/609294433.db2.gz JAHJCFVPYKGJNT-UHFFFAOYSA-N -1 3 394.189 0.268 20 0 GCADHM Cn1cnn(CC(=O)OCc2ccc(-c3nn[n-]n3)cc2Br)c1=O ZINC000826365313 609294434 /nfs/dbraw/zinc/29/44/34/609294434.db2.gz JAHJCFVPYKGJNT-UHFFFAOYSA-N -1 3 394.189 0.268 20 0 GCADHM COC(=O)[C@@H](CO)NC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000826104140 609295236 /nfs/dbraw/zinc/29/52/36/609295236.db2.gz QKTYYJJLIKEHRM-GFCCVEGCSA-N -1 3 387.352 0.302 20 0 GCADHM COC(=O)[C@@H](CO)NC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000826104140 609295238 /nfs/dbraw/zinc/29/52/38/609295238.db2.gz QKTYYJJLIKEHRM-GFCCVEGCSA-N -1 3 387.352 0.302 20 0 GCADHM CCOC(=O)[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000825493935 609302046 /nfs/dbraw/zinc/30/20/46/609302046.db2.gz QYQCDLYCYKFTFE-CZUORRHYSA-N -1 3 388.428 0.753 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)CSc2nnc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000823987568 609307699 /nfs/dbraw/zinc/30/76/99/609307699.db2.gz ADAKECJAAFJIGU-LBPRGKRZSA-N -1 3 390.473 0.493 20 0 GCADHM CC(=O)N[C@H]1CCCN(C(=O)CSc2nnc(C)c(C)c2-c2nn[n-]n2)C1 ZINC000823987568 609307701 /nfs/dbraw/zinc/30/77/01/609307701.db2.gz ADAKECJAAFJIGU-LBPRGKRZSA-N -1 3 390.473 0.493 20 0 GCADHM C[C@H](O)c1cn(CC(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)nn1 ZINC000824707735 609312444 /nfs/dbraw/zinc/31/24/44/609312444.db2.gz VCPJVFCMQRMVNV-VIFPVBQESA-N -1 3 398.362 0.475 20 0 GCADHM CCN1CCOC[C@@H]1C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825465692 609312996 /nfs/dbraw/zinc/31/29/96/609312996.db2.gz PTFDGCQFATZCSK-CYBMUJFWSA-N -1 3 386.391 0.851 20 0 GCADHM O=C1N[C@]2(CCOC2)C(=O)N1Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000826482550 609313987 /nfs/dbraw/zinc/31/39/87/609313987.db2.gz ITVVVEFRVDOEOU-AWEZNQCLSA-N -1 3 393.201 0.840 20 0 GCADHM O=C1N[C@]2(CCOC2)C(=O)N1Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000826482550 609313989 /nfs/dbraw/zinc/31/39/89/609313989.db2.gz ITVVVEFRVDOEOU-AWEZNQCLSA-N -1 3 393.201 0.840 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC000824962078 609314117 /nfs/dbraw/zinc/31/41/17/609314117.db2.gz NWACFNZPVYSUBA-CQSZACIVSA-N -1 3 391.501 0.571 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC000824962078 609314119 /nfs/dbraw/zinc/31/41/19/609314119.db2.gz NWACFNZPVYSUBA-CQSZACIVSA-N -1 3 391.501 0.571 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)N2CCCN(c3ccccc3-c3nnn[n-]3)CC2)C1 ZINC000824961922 609315894 /nfs/dbraw/zinc/31/58/94/609315894.db2.gz KYMPFYSCYADMOD-CQSZACIVSA-N -1 3 391.501 0.965 20 0 GCADHM C[C@@H]1CCN(S(=O)(=O)N2CCCN(c3ccccc3-c3nn[n-]n3)CC2)C1 ZINC000824961922 609315897 /nfs/dbraw/zinc/31/58/97/609315897.db2.gz KYMPFYSCYADMOD-CQSZACIVSA-N -1 3 391.501 0.965 20 0 GCADHM COC[C@@H](CNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)OC ZINC000826150198 609316105 /nfs/dbraw/zinc/31/61/05/609316105.db2.gz YSOFYIFUVNDRQC-CYBMUJFWSA-N -1 3 375.433 0.360 20 0 GCADHM COC[C@@H](CNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)OC ZINC000826150198 609316108 /nfs/dbraw/zinc/31/61/08/609316108.db2.gz YSOFYIFUVNDRQC-CYBMUJFWSA-N -1 3 375.433 0.360 20 0 GCADHM Cc1cc(NCCN2CCNC(=O)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826271277 609316847 /nfs/dbraw/zinc/31/68/47/609316847.db2.gz KXZPMDIFGIQJHN-UHFFFAOYSA-N -1 3 391.439 0.820 20 0 GCADHM Cc1cc(NCCN2CCNC(=O)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826271277 609316849 /nfs/dbraw/zinc/31/68/49/609316849.db2.gz KXZPMDIFGIQJHN-UHFFFAOYSA-N -1 3 391.439 0.820 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000825492555 609318251 /nfs/dbraw/zinc/31/82/51/609318251.db2.gz GSNKBFGCNJOQLL-JSGCOSHPSA-N -1 3 395.441 0.503 20 0 GCADHM CCOC(=O)[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC000825492555 609318254 /nfs/dbraw/zinc/31/82/54/609318254.db2.gz GSNKBFGCNJOQLL-JSGCOSHPSA-N -1 3 395.441 0.503 20 0 GCADHM COC[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)OC ZINC000826149845 609318356 /nfs/dbraw/zinc/31/83/56/609318356.db2.gz QJDMLIDYCFHIFP-SECBINFHSA-N -1 3 395.363 0.825 20 0 GCADHM NC(CN1CCOCC1)=NOCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826393783 609328198 /nfs/dbraw/zinc/32/81/98/609328198.db2.gz JRCYQGINBCNZHJ-UHFFFAOYSA-N -1 3 396.249 0.960 20 0 GCADHM NC(CN1CCOCC1)=NOCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826393783 609328199 /nfs/dbraw/zinc/32/81/99/609328199.db2.gz JRCYQGINBCNZHJ-UHFFFAOYSA-N -1 3 396.249 0.960 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826129128 609328742 /nfs/dbraw/zinc/32/87/42/609328742.db2.gz JZOOPGUECLOELY-YPMHNXCESA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826129128 609328743 /nfs/dbraw/zinc/32/87/43/609328743.db2.gz JZOOPGUECLOELY-YPMHNXCESA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826129653 609329272 /nfs/dbraw/zinc/32/92/72/609329272.db2.gz XQUSQHYEOPWWIC-WCQYABFASA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826129653 609329274 /nfs/dbraw/zinc/32/92/74/609329274.db2.gz XQUSQHYEOPWWIC-WCQYABFASA-N -1 3 381.414 0.208 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826129414 609329366 /nfs/dbraw/zinc/32/93/66/609329366.db2.gz RFXNKGZSQLZNMM-VXGBXAGGSA-N -1 3 395.441 0.516 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826129414 609329368 /nfs/dbraw/zinc/32/93/68/609329368.db2.gz RFXNKGZSQLZNMM-VXGBXAGGSA-N -1 3 395.441 0.516 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1F)N1CCC(n2ccnn2)CC1 ZINC000826494791 609330009 /nfs/dbraw/zinc/33/00/09/609330009.db2.gz PIPUBKJXZVVWNA-UHFFFAOYSA-N -1 3 378.393 0.623 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1F)N1CCC(n2ccnn2)CC1 ZINC000826494791 609330010 /nfs/dbraw/zinc/33/00/10/609330010.db2.gz PIPUBKJXZVVWNA-UHFFFAOYSA-N -1 3 378.393 0.623 20 0 GCADHM Cn1cc(CNc2ccn(CC(N)=O)n2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826362199 609342167 /nfs/dbraw/zinc/34/21/67/609342167.db2.gz IECFQRZJFMCANQ-UHFFFAOYSA-N -1 3 378.400 0.561 20 0 GCADHM Cn1cc(CNc2ccn(CC(N)=O)n2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826362199 609342168 /nfs/dbraw/zinc/34/21/68/609342168.db2.gz IECFQRZJFMCANQ-UHFFFAOYSA-N -1 3 378.400 0.561 20 0 GCADHM COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000826128623 609346320 /nfs/dbraw/zinc/34/63/20/609346320.db2.gz FLPLNZYQEZMQTA-UGFHNGPFSA-N -1 3 389.412 0.813 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826128274 609346342 /nfs/dbraw/zinc/34/63/42/609346342.db2.gz AZYKZZBWADUVEU-TZMCWYRMSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826128274 609346344 /nfs/dbraw/zinc/34/63/44/609346344.db2.gz AZYKZZBWADUVEU-TZMCWYRMSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826128271 609346348 /nfs/dbraw/zinc/34/63/48/609346348.db2.gz AZYKZZBWADUVEU-GXTWGEPZSA-N -1 3 375.385 0.425 20 0 GCADHM COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826128271 609346350 /nfs/dbraw/zinc/34/63/50/609346350.db2.gz AZYKZZBWADUVEU-GXTWGEPZSA-N -1 3 375.385 0.425 20 0 GCADHM C[C@H]1C[C@H]1CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824899440 609352219 /nfs/dbraw/zinc/35/22/19/609352219.db2.gz JWKANLZDMDYVEV-UWVGGRQHSA-N -1 3 384.375 0.902 20 0 GCADHM CC(C)Oc1ccc(NC(=O)NCCN2CCNC(=O)C2)cc1-c1nnn[n-]1 ZINC000824329932 609353034 /nfs/dbraw/zinc/35/30/34/609353034.db2.gz YIUTWFRSXFUNJA-UHFFFAOYSA-N -1 3 388.432 0.207 20 0 GCADHM CC(C)Oc1ccc(NC(=O)NCCN2CCNC(=O)C2)cc1-c1nn[n-]n1 ZINC000824329932 609353036 /nfs/dbraw/zinc/35/30/36/609353036.db2.gz YIUTWFRSXFUNJA-UHFFFAOYSA-N -1 3 388.432 0.207 20 0 GCADHM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825908689 609356498 /nfs/dbraw/zinc/35/64/98/609356498.db2.gz KYQWWEZAXDJHJD-HZMBPMFUSA-N -1 3 376.392 0.954 20 0 GCADHM CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825908689 609356501 /nfs/dbraw/zinc/35/65/01/609356501.db2.gz KYQWWEZAXDJHJD-HZMBPMFUSA-N -1 3 376.392 0.954 20 0 GCADHM Cc1nc(SCC(=O)NCC(=O)NCC2CC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327903 609357777 /nfs/dbraw/zinc/35/77/77/609357777.db2.gz YZBVAXMSZREKBF-UHFFFAOYSA-N -1 3 389.485 0.921 20 0 GCADHM Cc1nc(SCC(=O)NCC(=O)NCC2CC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327903 609357779 /nfs/dbraw/zinc/35/77/79/609357779.db2.gz YZBVAXMSZREKBF-UHFFFAOYSA-N -1 3 389.485 0.921 20 0 GCADHM CN(C)C(=O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825840678 609358794 /nfs/dbraw/zinc/35/87/94/609358794.db2.gz PUPHTCBHXZUYTN-UHFFFAOYSA-N -1 3 387.379 0.791 20 0 GCADHM CC(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2Br)CCO1 ZINC000823994864 609361210 /nfs/dbraw/zinc/36/12/10/609361210.db2.gz QISSVVYOSMXQTH-CYBMUJFWSA-N -1 3 395.261 0.966 20 0 GCADHM CC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2Br)CCO1 ZINC000823994864 609361214 /nfs/dbraw/zinc/36/12/14/609361214.db2.gz QISSVVYOSMXQTH-CYBMUJFWSA-N -1 3 395.261 0.966 20 0 GCADHM COC[C@H](O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826152189 609361215 /nfs/dbraw/zinc/36/12/15/609361215.db2.gz SPBFSRFFFNGELR-SNVBAGLBSA-N -1 3 390.379 0.710 20 0 GCADHM O=C(NC[C@]1(O)CCOC1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826434244 609361253 /nfs/dbraw/zinc/36/12/53/609361253.db2.gz HQEUCSHAGSPWPB-MRXNPFEDSA-N -1 3 388.363 0.464 20 0 GCADHM O=C(CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)NCC1CC1 ZINC000826411555 609364034 /nfs/dbraw/zinc/36/40/34/609364034.db2.gz DCHBPMXUHRDIIZ-UHFFFAOYSA-N -1 3 399.390 0.839 20 0 GCADHM CN(CC(F)F)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000825902586 609365880 /nfs/dbraw/zinc/36/58/80/609365880.db2.gz WXAIRVXGDKRDRS-UHFFFAOYSA-N -1 3 394.317 0.854 20 0 GCADHM C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)C1 ZINC000824945751 609366191 /nfs/dbraw/zinc/36/61/91/609366191.db2.gz FJKMDCWHSZGILE-SNVBAGLBSA-N -1 3 384.375 0.998 20 0 GCADHM C[C@@H](CCO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824407719 609367207 /nfs/dbraw/zinc/36/72/07/609367207.db2.gz ZBEZDYKYTSBPSC-VIFPVBQESA-N -1 3 388.363 0.017 20 0 GCADHM OCc1nnc2n1CCN(Cc1ccc(-c3nnn[n-]3)cc1Br)C2 ZINC000826510979 609368057 /nfs/dbraw/zinc/36/80/57/609368057.db2.gz WCYVREDIRLSEQG-UHFFFAOYSA-N -1 3 391.233 0.729 20 0 GCADHM OCc1nnc2n1CCN(Cc1ccc(-c3nn[n-]n3)cc1Br)C2 ZINC000826510979 609368060 /nfs/dbraw/zinc/36/80/60/609368060.db2.gz WCYVREDIRLSEQG-UHFFFAOYSA-N -1 3 391.233 0.729 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000826129100 609369231 /nfs/dbraw/zinc/36/92/31/609369231.db2.gz JUCDBSYKEYRITG-KGLIPLIRSA-N -1 3 391.428 0.907 20 0 GCADHM COC(=O)[C@@H]1C[C@H](OC)CCN1CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000826129100 609369235 /nfs/dbraw/zinc/36/92/35/609369235.db2.gz JUCDBSYKEYRITG-KGLIPLIRSA-N -1 3 391.428 0.907 20 0 GCADHM COC(=O)[C@H]1C[C@H](OC)CCN1CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826129594 609369290 /nfs/dbraw/zinc/36/92/90/609369290.db2.gz VYYXBRGLGMGVTI-HUUCEWRRSA-N -1 3 388.428 0.848 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)CCO1 ZINC000826060738 609376021 /nfs/dbraw/zinc/37/60/21/609376021.db2.gz SBOBGUOYCBYHEG-LLVKDONJSA-N -1 3 376.421 0.402 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)CCO1 ZINC000826060738 609376023 /nfs/dbraw/zinc/37/60/23/609376023.db2.gz SBOBGUOYCBYHEG-LLVKDONJSA-N -1 3 376.421 0.402 20 0 GCADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826470247 609377245 /nfs/dbraw/zinc/37/72/45/609377245.db2.gz JNMCIFVBPCVDCC-CYBMUJFWSA-N -1 3 393.473 0.661 20 0 GCADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000826470247 609377246 /nfs/dbraw/zinc/37/72/46/609377246.db2.gz JNMCIFVBPCVDCC-CYBMUJFWSA-N -1 3 393.473 0.661 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CCn2ccnc2)CC1 ZINC000826494204 609378889 /nfs/dbraw/zinc/37/88/89/609378889.db2.gz SGVQMTSIWJGVBF-UHFFFAOYSA-N -1 3 388.457 0.070 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CCn2ccnc2)CC1 ZINC000826494204 609378892 /nfs/dbraw/zinc/37/88/92/609378892.db2.gz SGVQMTSIWJGVBF-UHFFFAOYSA-N -1 3 388.457 0.070 20 0 GCADHM COc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1-n1cnnn1 ZINC000826187344 609380575 /nfs/dbraw/zinc/38/05/75/609380575.db2.gz MAECYXZPWORVHK-UHFFFAOYSA-N -1 3 395.358 0.920 20 0 GCADHM COc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1-n1cnnn1 ZINC000826187344 609380579 /nfs/dbraw/zinc/38/05/79/609380579.db2.gz MAECYXZPWORVHK-UHFFFAOYSA-N -1 3 395.358 0.920 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000826233470 609383953 /nfs/dbraw/zinc/38/39/53/609383953.db2.gz IQECXOBDUQDUIJ-UHFFFAOYSA-N -1 3 383.416 0.162 20 0 GCADHM Cc1n[nH]cc1CCCNC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826233470 609383956 /nfs/dbraw/zinc/38/39/56/609383956.db2.gz IQECXOBDUQDUIJ-UHFFFAOYSA-N -1 3 383.416 0.162 20 0 GCADHM NC(=O)COCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826391333 609388857 /nfs/dbraw/zinc/38/88/57/609388857.db2.gz GSWDBKKSECDFPV-UHFFFAOYSA-N -1 3 382.380 0.891 20 0 GCADHM NC(=O)COCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826391333 609388860 /nfs/dbraw/zinc/38/88/60/609388860.db2.gz GSWDBKKSECDFPV-UHFFFAOYSA-N -1 3 382.380 0.891 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)cn1 ZINC000826359075 609393279 /nfs/dbraw/zinc/39/32/79/609393279.db2.gz UPBRSUDBGMGMOB-HNNXBMFYSA-N -1 3 398.427 0.559 20 0 GCADHM Cn1cc([C@H](CO)NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)cn1 ZINC000826359075 609393280 /nfs/dbraw/zinc/39/32/80/609393280.db2.gz UPBRSUDBGMGMOB-HNNXBMFYSA-N -1 3 398.427 0.559 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1cccc(C(N)=O)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117553 609395035 /nfs/dbraw/zinc/39/50/35/609395035.db2.gz NCSCJFZFBLOLCT-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM COC(=O)[C@@H](OC(=O)c1cccc(C(N)=O)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117553 609395037 /nfs/dbraw/zinc/39/50/37/609395037.db2.gz NCSCJFZFBLOLCT-ZDUSSCGKSA-N -1 3 382.336 0.432 20 0 GCADHM CC[C@@](C)(CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825042833 609396072 /nfs/dbraw/zinc/39/60/72/609396072.db2.gz ACTNDHCORGAQDI-BZNIZROVSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@@](C)(CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825042833 609396073 /nfs/dbraw/zinc/39/60/73/609396073.db2.gz ACTNDHCORGAQDI-BZNIZROVSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@@](C)(CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825043990 609396211 /nfs/dbraw/zinc/39/62/11/609396211.db2.gz LMFWJMCLPNNLHF-ZBEGNZNMSA-N -1 3 396.473 0.201 20 0 GCADHM CC[C@@](C)(CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825043990 609396212 /nfs/dbraw/zinc/39/62/12/609396212.db2.gz LMFWJMCLPNNLHF-ZBEGNZNMSA-N -1 3 396.473 0.201 20 0 GCADHM CCN(Cc1cn(C)nn1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825439962 609400244 /nfs/dbraw/zinc/40/02/44/609400244.db2.gz VVLBALQEZNILAO-UHFFFAOYSA-N -1 3 382.837 0.859 20 0 GCADHM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824773139 609404387 /nfs/dbraw/zinc/40/43/87/609404387.db2.gz YQEKVZHTUGYBGO-CXAGYDPISA-N -1 3 394.435 0.877 20 0 GCADHM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824773139 609404388 /nfs/dbraw/zinc/40/43/88/609404388.db2.gz YQEKVZHTUGYBGO-CXAGYDPISA-N -1 3 394.435 0.877 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826214762 609404834 /nfs/dbraw/zinc/40/48/34/609404834.db2.gz WIGASHLGFSJNDD-INIZCTEOSA-N -1 3 396.407 0.455 20 0 GCADHM COc1cccc([C@H](CO)NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214762 609404836 /nfs/dbraw/zinc/40/48/36/609404836.db2.gz WIGASHLGFSJNDD-INIZCTEOSA-N -1 3 396.407 0.455 20 0 GCADHM Nc1nc(N)nc(S[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826396119 609409601 /nfs/dbraw/zinc/40/96/01/609409601.db2.gz HQPZNOXFMGGQBQ-SNVBAGLBSA-N -1 3 384.429 0.504 20 0 GCADHM Nc1nc(N)nc(S[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826396119 609409602 /nfs/dbraw/zinc/40/96/02/609409602.db2.gz HQPZNOXFMGGQBQ-SNVBAGLBSA-N -1 3 384.429 0.504 20 0 GCADHM CNC(=O)[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826059984 609410171 /nfs/dbraw/zinc/41/01/71/609410171.db2.gz DLKOPLWMQGGNSO-OAHLLOKOSA-N -1 3 382.428 0.214 20 0 GCADHM CNC(=O)[C@H]1CN(Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826059984 609410172 /nfs/dbraw/zinc/41/01/72/609410172.db2.gz DLKOPLWMQGGNSO-OAHLLOKOSA-N -1 3 382.428 0.214 20 0 GCADHM Cc1cc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cn(C)c1=O ZINC000826269312 609414709 /nfs/dbraw/zinc/41/47/09/609414709.db2.gz IBUWOMBLBFPFKZ-UHFFFAOYSA-N -1 3 397.395 0.008 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826256374 609414754 /nfs/dbraw/zinc/41/47/54/609414754.db2.gz GKJRPNDPGDQNAX-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826256374 609414756 /nfs/dbraw/zinc/41/47/56/609414756.db2.gz GKJRPNDPGDQNAX-UHFFFAOYSA-N -1 3 381.396 0.471 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826256354 609414901 /nfs/dbraw/zinc/41/49/01/609414901.db2.gz FISKVIXWOLLLPK-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826256354 609414903 /nfs/dbraw/zinc/41/49/03/609414903.db2.gz FISKVIXWOLLLPK-LLVKDONJSA-N -1 3 381.396 0.690 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC000826393068 609416731 /nfs/dbraw/zinc/41/67/31/609416731.db2.gz AFBVFLZEPIDVAC-OAHLLOKOSA-N -1 3 379.380 0.574 20 0 GCADHM NC(=O)c1cccc(C(=O)N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC000826393068 609416733 /nfs/dbraw/zinc/41/67/33/609416733.db2.gz AFBVFLZEPIDVAC-OAHLLOKOSA-N -1 3 379.380 0.574 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000826060394 609418276 /nfs/dbraw/zinc/41/82/76/609418276.db2.gz LXQKPCXLNCWEKT-CYBMUJFWSA-N -1 3 376.442 0.073 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000826060394 609418279 /nfs/dbraw/zinc/41/82/79/609418279.db2.gz LXQKPCXLNCWEKT-CYBMUJFWSA-N -1 3 376.442 0.073 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000826060350 609418720 /nfs/dbraw/zinc/41/87/20/609418720.db2.gz LJLZCPGLUVONHF-OAHLLOKOSA-N -1 3 388.428 0.389 20 0 GCADHM CNC(=O)[C@H]1CN(C(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000826060350 609418721 /nfs/dbraw/zinc/41/87/21/609418721.db2.gz LJLZCPGLUVONHF-OAHLLOKOSA-N -1 3 388.428 0.389 20 0 GCADHM COc1ccccc1[C@@H](CO)NCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826218936 609426945 /nfs/dbraw/zinc/42/69/45/609426945.db2.gz OSBNFAXSAQCIOT-MRXNPFEDSA-N -1 3 382.424 0.815 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)CCO1 ZINC000826060997 609428188 /nfs/dbraw/zinc/42/81/88/609428188.db2.gz XZXXWHHJMPHGJJ-JTQLQIEISA-N -1 3 385.211 0.761 20 0 GCADHM CNC(=O)[C@@H]1CN(C(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)CCO1 ZINC000826060997 609428189 /nfs/dbraw/zinc/42/81/89/609428189.db2.gz XZXXWHHJMPHGJJ-JTQLQIEISA-N -1 3 385.211 0.761 20 0 GCADHM COCCCNC(=O)CN(C)[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826156911 609428501 /nfs/dbraw/zinc/42/85/01/609428501.db2.gz ZKMYPPHMXXZYSM-GFCCVEGCSA-N -1 3 375.433 0.278 20 0 GCADHM COCCCNC(=O)CN(C)[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826156911 609428503 /nfs/dbraw/zinc/42/85/03/609428503.db2.gz ZKMYPPHMXXZYSM-GFCCVEGCSA-N -1 3 375.433 0.278 20 0 GCADHM COCCN(Cc1ccn(C)n1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826159781 609429229 /nfs/dbraw/zinc/42/92/29/609429229.db2.gz RQPCECGTXQAKQP-UHFFFAOYSA-N -1 3 377.430 0.438 20 0 GCADHM COCCN(Cc1ccn(C)n1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826159781 609429230 /nfs/dbraw/zinc/42/92/30/609429230.db2.gz RQPCECGTXQAKQP-UHFFFAOYSA-N -1 3 377.430 0.438 20 0 GCADHM CN(Cc1ncc(Cl)n1C)c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000825998738 609434063 /nfs/dbraw/zinc/43/40/63/609434063.db2.gz AUXVKZHCLBNRLQ-UHFFFAOYSA-N -1 3 382.837 0.537 20 0 GCADHM CN(Cc1ncc(Cl)n1C)c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000825998738 609434064 /nfs/dbraw/zinc/43/40/64/609434064.db2.gz AUXVKZHCLBNRLQ-UHFFFAOYSA-N -1 3 382.837 0.537 20 0 GCADHM CCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)Cc1cn(C)nn1 ZINC000825424237 609434448 /nfs/dbraw/zinc/43/44/48/609434448.db2.gz BZWNSVWCOSETOZ-UHFFFAOYSA-N -1 3 376.446 0.291 20 0 GCADHM CCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)Cc1cn(C)nn1 ZINC000825424237 609434451 /nfs/dbraw/zinc/43/44/51/609434451.db2.gz BZWNSVWCOSETOZ-UHFFFAOYSA-N -1 3 376.446 0.291 20 0 GCADHM Cn1c(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)nnc1C1CC1 ZINC000826355297 609437554 /nfs/dbraw/zinc/43/75/54/609437554.db2.gz SEGGAMUGGKZEHP-UHFFFAOYSA-N -1 3 378.393 0.490 20 0 GCADHM Cn1c(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)nnc1C1CC1 ZINC000826355297 609437556 /nfs/dbraw/zinc/43/75/56/609437556.db2.gz SEGGAMUGGKZEHP-UHFFFAOYSA-N -1 3 378.393 0.490 20 0 GCADHM O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826480312 609438608 /nfs/dbraw/zinc/43/86/08/609438608.db2.gz XIEYSELVDDPZIC-CABCVRRESA-N -1 3 391.453 0.767 20 0 GCADHM O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826480312 609438610 /nfs/dbraw/zinc/43/86/10/609438610.db2.gz XIEYSELVDDPZIC-CABCVRRESA-N -1 3 391.453 0.767 20 0 GCADHM O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826480073 609438919 /nfs/dbraw/zinc/43/89/19/609438919.db2.gz QLIFUZQKZOTPLD-KGLIPLIRSA-N -1 3 377.426 0.625 20 0 GCADHM O=C1CCC[C@@H]1[C@@H]1COCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826480073 609438921 /nfs/dbraw/zinc/43/89/21/609438921.db2.gz QLIFUZQKZOTPLD-KGLIPLIRSA-N -1 3 377.426 0.625 20 0 GCADHM COCc1ccccc1S(=O)(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826165201 609440279 /nfs/dbraw/zinc/44/02/79/609440279.db2.gz JXFYRGIOMBOIMN-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM COCc1ccccc1S(=O)(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826165201 609440280 /nfs/dbraw/zinc/44/02/80/609440280.db2.gz JXFYRGIOMBOIMN-UHFFFAOYSA-N -1 3 389.441 0.799 20 0 GCADHM O=C(CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)N1CCNC1=O ZINC000826414090 609447284 /nfs/dbraw/zinc/44/72/84/609447284.db2.gz FCWQSBXYIWBBQU-UHFFFAOYSA-N -1 3 387.791 0.670 20 0 GCADHM O=C(CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)N1CCNC1=O ZINC000826414090 609447285 /nfs/dbraw/zinc/44/72/85/609447285.db2.gz FCWQSBXYIWBBQU-UHFFFAOYSA-N -1 3 387.791 0.670 20 0 GCADHM O=C(CNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1)N1CCOCC1 ZINC000826414228 609447886 /nfs/dbraw/zinc/44/78/86/609447886.db2.gz LGQKMQLBOCVNPB-UHFFFAOYSA-N -1 3 388.819 0.977 20 0 GCADHM O=C(CNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1)N1CCOCC1 ZINC000826414228 609447887 /nfs/dbraw/zinc/44/78/87/609447887.db2.gz LGQKMQLBOCVNPB-UHFFFAOYSA-N -1 3 388.819 0.977 20 0 GCADHM CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825986100 609450527 /nfs/dbraw/zinc/45/05/27/609450527.db2.gz ODKJGJHMMMUYJB-CYBMUJFWSA-N -1 3 387.425 0.962 20 0 GCADHM CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825986100 609450529 /nfs/dbraw/zinc/45/05/29/609450529.db2.gz ODKJGJHMMMUYJB-CYBMUJFWSA-N -1 3 387.425 0.962 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)n(C)c1 ZINC000825875430 609450847 /nfs/dbraw/zinc/45/08/47/609450847.db2.gz PEULXCIJUQVVGZ-UHFFFAOYSA-N -1 3 393.404 0.847 20 0 GCADHM CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)n(C)c1 ZINC000825875430 609450849 /nfs/dbraw/zinc/45/08/49/609450849.db2.gz PEULXCIJUQVVGZ-UHFFFAOYSA-N -1 3 393.404 0.847 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1)NCc1ccccc1 ZINC000826425476 609453139 /nfs/dbraw/zinc/45/31/39/609453139.db2.gz FWOPXXWXOAHHCE-UHFFFAOYSA-N -1 3 392.383 0.355 20 0 GCADHM O=C(Cn1cnc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1)NCc1ccccc1 ZINC000826425476 609453140 /nfs/dbraw/zinc/45/31/40/609453140.db2.gz FWOPXXWXOAHHCE-UHFFFAOYSA-N -1 3 392.383 0.355 20 0 GCADHM CCS(=O)(=O)NC1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000825662905 609459370 /nfs/dbraw/zinc/45/93/70/609459370.db2.gz DQFVJUBPIQJLIJ-UHFFFAOYSA-N -1 3 376.446 0.423 20 0 GCADHM CCS(=O)(=O)NC1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000825662905 609459373 /nfs/dbraw/zinc/45/93/73/609459373.db2.gz DQFVJUBPIQJLIJ-UHFFFAOYSA-N -1 3 376.446 0.423 20 0 GCADHM C[C@H](C(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)S(C)(=O)=O ZINC000824053143 609464017 /nfs/dbraw/zinc/46/40/17/609464017.db2.gz VDAJHFQMFHSMOO-ZWNOBZJWSA-N -1 3 393.425 0.338 20 0 GCADHM C[C@H](C(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)S(C)(=O)=O ZINC000824053143 609464019 /nfs/dbraw/zinc/46/40/19/609464019.db2.gz VDAJHFQMFHSMOO-ZWNOBZJWSA-N -1 3 393.425 0.338 20 0 GCADHM CCCC(=O)NCC(=O)O[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825225133 609464533 /nfs/dbraw/zinc/46/45/33/609464533.db2.gz MHUMKNRUODZQPS-CQSZACIVSA-N -1 3 386.412 0.822 20 0 GCADHM CCCC(=O)NCC(=O)O[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825225133 609464534 /nfs/dbraw/zinc/46/45/34/609464534.db2.gz MHUMKNRUODZQPS-CQSZACIVSA-N -1 3 386.412 0.822 20 0 GCADHM Cn1nc(C(=O)O[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)ccc1=O ZINC000826366040 609465346 /nfs/dbraw/zinc/46/53/46/609465346.db2.gz PYASZYQROPYLBZ-AWEZNQCLSA-N -1 3 395.379 0.313 20 0 GCADHM Cn1nc(C(=O)O[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)ccc1=O ZINC000826366040 609465347 /nfs/dbraw/zinc/46/53/47/609465347.db2.gz PYASZYQROPYLBZ-AWEZNQCLSA-N -1 3 395.379 0.313 20 0 GCADHM NC(=O)c1cccnc1N1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1 ZINC000826394137 609467397 /nfs/dbraw/zinc/46/73/97/609467397.db2.gz YCXJEAXQSGTVSW-UHFFFAOYSA-N -1 3 390.411 0.335 20 0 GCADHM NC(=O)c1cccnc1N1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1 ZINC000826394137 609467398 /nfs/dbraw/zinc/46/73/98/609467398.db2.gz YCXJEAXQSGTVSW-UHFFFAOYSA-N -1 3 390.411 0.335 20 0 GCADHM COCCOc1ccc(-c2nnn[n-]2)cc1NCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000826161886 609482817 /nfs/dbraw/zinc/48/28/17/609482817.db2.gz DDIVJVDDJYMJLW-STQMWFEESA-N -1 3 390.444 0.940 20 0 GCADHM COCCOc1ccc(-c2nn[n-]n2)cc1NCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000826161886 609482820 /nfs/dbraw/zinc/48/28/20/609482820.db2.gz DDIVJVDDJYMJLW-STQMWFEESA-N -1 3 390.444 0.940 20 0 GCADHM Cc1nc([C@H]2COCCN2C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)no1 ZINC000826324842 609497014 /nfs/dbraw/zinc/49/70/14/609497014.db2.gz GUCHWWUKWXKTRN-DZGCQCFKSA-N -1 3 387.400 0.371 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)CCO2)no1 ZINC000826324827 609497270 /nfs/dbraw/zinc/49/72/70/609497270.db2.gz GJHHGHIQSPUQDE-LBPRGKRZSA-N -1 3 395.376 0.459 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3cc(-c4nnn[n-]4)ccc3C)CCO2)no1 ZINC000826325207 609497358 /nfs/dbraw/zinc/49/73/58/609497358.db2.gz QRXGKQGWNHUSFF-LBPRGKRZSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@@H]2CN(S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)CCO2)no1 ZINC000826325207 609497360 /nfs/dbraw/zinc/49/73/60/609497360.db2.gz QRXGKQGWNHUSFF-LBPRGKRZSA-N -1 3 391.413 0.629 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000826325005 609497397 /nfs/dbraw/zinc/49/73/97/609497397.db2.gz LGGDTGRIMZKJSZ-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nc([C@@H]2COCCN2S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000826325005 609497399 /nfs/dbraw/zinc/49/73/99/609497399.db2.gz LGGDTGRIMZKJSZ-LBPRGKRZSA-N -1 3 377.386 0.320 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000826337407 609498059 /nfs/dbraw/zinc/49/80/59/609498059.db2.gz NMPLXKLAIRHVNS-SECBINFHSA-N -1 3 378.393 0.199 20 0 GCADHM Cc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000826337407 609498061 /nfs/dbraw/zinc/49/80/61/609498061.db2.gz NMPLXKLAIRHVNS-SECBINFHSA-N -1 3 378.393 0.199 20 0 GCADHM Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)no1 ZINC000826325237 609498087 /nfs/dbraw/zinc/49/80/87/609498087.db2.gz RRFVQNSRCAASIQ-LLVKDONJSA-N -1 3 395.376 0.459 20 0 GCADHM CCc1nnc2n1C[C@H](NS(=O)(=O)Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000825771437 609498793 /nfs/dbraw/zinc/49/87/93/609498793.db2.gz LVXYWGGLGIPYCR-CYBMUJFWSA-N -1 3 388.457 0.455 20 0 GCADHM CCc1nnc2n1C[C@H](NS(=O)(=O)Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000825771437 609498795 /nfs/dbraw/zinc/49/87/95/609498795.db2.gz LVXYWGGLGIPYCR-CYBMUJFWSA-N -1 3 388.457 0.455 20 0 GCADHM CCc1nnc2n1C[C@H](NS(=O)(=O)c1cc(-c3nnn[n-]3)ccc1C)CC2 ZINC000825771580 609498898 /nfs/dbraw/zinc/49/88/98/609498898.db2.gz MQMTXURBXLSAOE-GFCCVEGCSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nnc2n1C[C@H](NS(=O)(=O)c1cc(-c3nn[n-]n3)ccc1C)CC2 ZINC000825771580 609498900 /nfs/dbraw/zinc/49/89/00/609498900.db2.gz MQMTXURBXLSAOE-GFCCVEGCSA-N -1 3 388.457 0.622 20 0 GCADHM CCc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000825771618 609499759 /nfs/dbraw/zinc/49/97/59/609499759.db2.gz NFILXAAUXKBDCA-VIFPVBQESA-N -1 3 392.420 0.453 20 0 GCADHM CCc1nnc2n1C[C@@H](NS(=O)(=O)c1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000825771618 609499761 /nfs/dbraw/zinc/49/97/61/609499761.db2.gz NFILXAAUXKBDCA-VIFPVBQESA-N -1 3 392.420 0.453 20 0 GCADHM CCc1nnc2n1C[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000825771630 609499795 /nfs/dbraw/zinc/49/97/95/609499795.db2.gz NIQABRRIUYFYIF-SNVBAGLBSA-N -1 3 392.420 0.453 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC000825883395 609501009 /nfs/dbraw/zinc/50/10/09/609501009.db2.gz GMTRBQQDQIQDCH-HNNXBMFYSA-N -1 3 380.412 0.936 20 0 GCADHM CN(C)c1cnc(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC000825883395 609501011 /nfs/dbraw/zinc/50/10/11/609501011.db2.gz GMTRBQQDQIQDCH-HNNXBMFYSA-N -1 3 380.412 0.936 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)CCO2)no1 ZINC000826325262 609503468 /nfs/dbraw/zinc/50/34/68/609503468.db2.gz SFVKIGJMZPBHNH-YGRLFVJLSA-N -1 3 385.384 0.926 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)CCO2)no1 ZINC000826325262 609503469 /nfs/dbraw/zinc/50/34/69/609503469.db2.gz SFVKIGJMZPBHNH-YGRLFVJLSA-N -1 3 385.384 0.926 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)[C@@H](C)Oc3ccccc3-c3nnn[n-]3)CCO2)no1 ZINC000826325261 609503513 /nfs/dbraw/zinc/50/35/13/609503513.db2.gz SFVKIGJMZPBHNH-QMTHXVAHSA-N -1 3 385.384 0.926 20 0 GCADHM Cc1nc([C@H]2CN(C(=O)[C@@H](C)Oc3ccccc3-c3nn[n-]n3)CCO2)no1 ZINC000826325261 609503515 /nfs/dbraw/zinc/50/35/15/609503515.db2.gz SFVKIGJMZPBHNH-QMTHXVAHSA-N -1 3 385.384 0.926 20 0 GCADHM O=C(NCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccn[nH]1 ZINC000826437237 609509163 /nfs/dbraw/zinc/50/91/63/609509163.db2.gz BROVATSBINFVTA-UHFFFAOYSA-N -1 3 391.848 0.960 20 0 GCADHM O=C(NCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccn[nH]1 ZINC000826437237 609509164 /nfs/dbraw/zinc/50/91/64/609509164.db2.gz BROVATSBINFVTA-UHFFFAOYSA-N -1 3 391.848 0.960 20 0 GCADHM CCOCCNC(=S)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825598770 609509939 /nfs/dbraw/zinc/50/99/39/609509939.db2.gz BRQJIPJXACNGKE-AWEZNQCLSA-N -1 3 389.485 0.863 20 0 GCADHM CCOCCNC(=S)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825598770 609509941 /nfs/dbraw/zinc/50/99/41/609509941.db2.gz BRQJIPJXACNGKE-AWEZNQCLSA-N -1 3 389.485 0.863 20 0 GCADHM Cc1cc(C(=O)NCCNC(=O)C(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259286 609512645 /nfs/dbraw/zinc/51/26/45/609512645.db2.gz NOCJPAAURHOQGA-UHFFFAOYSA-N -1 3 382.428 0.863 20 0 GCADHM Cc1cc(C(=O)NCCNC(=O)C(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259286 609512646 /nfs/dbraw/zinc/51/26/46/609512646.db2.gz NOCJPAAURHOQGA-UHFFFAOYSA-N -1 3 382.428 0.863 20 0 GCADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)Cn3ccnc3C(C)C)CC2)o1 ZINC000826323032 609517848 /nfs/dbraw/zinc/51/78/48/609517848.db2.gz MUKQYWHESGXDOG-UHFFFAOYSA-N -1 3 385.432 0.832 20 0 GCADHM Cc1c(Cl)cnc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1-c1nnn[n-]1 ZINC000826238062 609522320 /nfs/dbraw/zinc/52/23/20/609522320.db2.gz VIAMOQODQUKFIE-NSHDSACASA-N -1 3 397.892 0.533 20 0 GCADHM Cc1c(Cl)cnc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1-c1nn[n-]n1 ZINC000826238062 609522322 /nfs/dbraw/zinc/52/23/22/609522322.db2.gz VIAMOQODQUKFIE-NSHDSACASA-N -1 3 397.892 0.533 20 0 GCADHM CCNC(=O)CN1CCCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000825471324 609532935 /nfs/dbraw/zinc/53/29/35/609532935.db2.gz RVQGTKZMPLXXJC-UHFFFAOYSA-N -1 3 378.868 0.872 20 0 GCADHM CCNC(=O)CN1CCCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000825471324 609532936 /nfs/dbraw/zinc/53/29/36/609532936.db2.gz RVQGTKZMPLXXJC-UHFFFAOYSA-N -1 3 378.868 0.872 20 0 GCADHM Cc1c(Cl)cnc(N2CCC[C@H](CNS(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826238079 609534640 /nfs/dbraw/zinc/53/46/40/609534640.db2.gz VVFSHSCURNJWID-SNVBAGLBSA-N -1 3 385.881 0.989 20 0 GCADHM Cc1c(Cl)cnc(N2CCC[C@H](CNS(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826238079 609534641 /nfs/dbraw/zinc/53/46/41/609534641.db2.gz VVFSHSCURNJWID-SNVBAGLBSA-N -1 3 385.881 0.989 20 0 GCADHM NC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826390972 609539569 /nfs/dbraw/zinc/53/95/69/609539569.db2.gz SITZSDIZNIGGQC-UHFFFAOYSA-N -1 3 384.849 0.796 20 0 GCADHM NC(=O)CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826390972 609539570 /nfs/dbraw/zinc/53/95/70/609539570.db2.gz SITZSDIZNIGGQC-UHFFFAOYSA-N -1 3 384.849 0.796 20 0 GCADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CN1CCN(C(C)C)C(=O)C1 ZINC000826334701 609541908 /nfs/dbraw/zinc/54/19/08/609541908.db2.gz FYYSZFIYWZXFOX-UHFFFAOYSA-N -1 3 381.444 0.944 20 0 GCADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CN1CCN(C(C)C)C(=O)C1 ZINC000826334701 609541911 /nfs/dbraw/zinc/54/19/11/609541911.db2.gz FYYSZFIYWZXFOX-UHFFFAOYSA-N -1 3 381.444 0.944 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824449918 609545161 /nfs/dbraw/zinc/54/51/61/609545161.db2.gz QQQPAZXPHWNMSN-QMMMGPOBSA-N -1 3 393.878 0.574 20 0 GCADHM C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824449918 609545162 /nfs/dbraw/zinc/54/51/62/609545162.db2.gz QQQPAZXPHWNMSN-QMMMGPOBSA-N -1 3 393.878 0.574 20 0 GCADHM COCCN(CC(=O)OC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826157733 609545529 /nfs/dbraw/zinc/54/55/29/609545529.db2.gz JAUXQEIJHROEKR-UHFFFAOYSA-N -1 3 389.821 0.330 20 0 GCADHM COCCN(CC(=O)OC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826157733 609545532 /nfs/dbraw/zinc/54/55/32/609545532.db2.gz JAUXQEIJHROEKR-UHFFFAOYSA-N -1 3 389.821 0.330 20 0 GCADHM Cc1ccnc(NCCC(=O)N2CCN(c3ncccn3)CC2)c1-c1nnn[n-]1 ZINC000826313846 609546172 /nfs/dbraw/zinc/54/61/72/609546172.db2.gz VUGIAATVASPRDS-UHFFFAOYSA-N -1 3 394.443 0.511 20 0 GCADHM Cc1ccnc(NCCC(=O)N2CCN(c3ncccn3)CC2)c1-c1nn[n-]n1 ZINC000826313846 609546173 /nfs/dbraw/zinc/54/61/73/609546173.db2.gz VUGIAATVASPRDS-UHFFFAOYSA-N -1 3 394.443 0.511 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCC[C@@H]1Cn1cncn1 ZINC000826494654 609546403 /nfs/dbraw/zinc/54/64/03/609546403.db2.gz KSCVRJXACAHXMA-LLVKDONJSA-N -1 3 394.848 0.965 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCC[C@@H]1Cn1cncn1 ZINC000826494654 609546405 /nfs/dbraw/zinc/54/64/05/609546405.db2.gz KSCVRJXACAHXMA-LLVKDONJSA-N -1 3 394.848 0.965 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)[S@](C)=O ZINC000824402102 609556899 /nfs/dbraw/zinc/55/68/99/609556899.db2.gz UETJEETYPVELLJ-PJLCYMMNSA-N -1 3 377.879 0.956 20 0 GCADHM C[C@H](CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)[S@](C)=O ZINC000824402102 609556901 /nfs/dbraw/zinc/55/69/01/609556901.db2.gz UETJEETYPVELLJ-PJLCYMMNSA-N -1 3 377.879 0.956 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)[C@H]2CCCC[C@@H]2N1 ZINC000826481102 609558443 /nfs/dbraw/zinc/55/84/43/609558443.db2.gz HQPRIXLNCIJWDP-RYUDHWBXSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)[C@H]2CCCC[C@@H]2N1 ZINC000826481102 609558446 /nfs/dbraw/zinc/55/84/46/609558446.db2.gz HQPRIXLNCIJWDP-RYUDHWBXSA-N -1 3 396.860 0.952 20 0 GCADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825424449 609560302 /nfs/dbraw/zinc/56/03/02/609560302.db2.gz HMUKZRIYKCBAGT-UHFFFAOYSA-N -1 3 393.878 0.575 20 0 GCADHM CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825424449 609560304 /nfs/dbraw/zinc/56/03/04/609560304.db2.gz HMUKZRIYKCBAGT-UHFFFAOYSA-N -1 3 393.878 0.575 20 0 GCADHM COC1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCOCC1 ZINC000826145051 609560435 /nfs/dbraw/zinc/56/04/35/609560435.db2.gz YEPNVLDSRDJCNS-UHFFFAOYSA-N -1 3 387.849 0.994 20 0 GCADHM COC1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCOCC1 ZINC000826145051 609560437 /nfs/dbraw/zinc/56/04/37/609560437.db2.gz YEPNVLDSRDJCNS-UHFFFAOYSA-N -1 3 387.849 0.994 20 0 GCADHM CCN1CCO[C@@H](CNC(=O)c2cc(C)n(-c3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC000825465948 609560478 /nfs/dbraw/zinc/56/04/78/609560478.db2.gz UGMQCTVQWQHIMB-INIZCTEOSA-N -1 3 396.455 0.811 20 0 GCADHM CCOC(=O)C(=O)N1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000825485217 609561087 /nfs/dbraw/zinc/56/10/87/609561087.db2.gz FFMRUGCGSWWSOC-UHFFFAOYSA-N -1 3 379.808 0.435 20 0 GCADHM CCOC(=O)C(=O)N1CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000825485217 609561088 /nfs/dbraw/zinc/56/10/88/609561088.db2.gz FFMRUGCGSWWSOC-UHFFFAOYSA-N -1 3 379.808 0.435 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1Cl)N1CCN([C@@H]2CCOC2)CC1 ZINC000826494716 609561219 /nfs/dbraw/zinc/56/12/19/609561219.db2.gz MPFPHWWVZXVZIK-GFCCVEGCSA-N -1 3 398.876 0.615 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1Cl)N1CCN([C@@H]2CCOC2)CC1 ZINC000826494716 609561221 /nfs/dbraw/zinc/56/12/21/609561221.db2.gz MPFPHWWVZXVZIK-GFCCVEGCSA-N -1 3 398.876 0.615 20 0 GCADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000824448213 609562062 /nfs/dbraw/zinc/56/20/62/609562062.db2.gz HFGUPOOJHIMEKZ-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000824448213 609562064 /nfs/dbraw/zinc/56/20/64/609562064.db2.gz HFGUPOOJHIMEKZ-SSDOTTSWSA-N -1 3 379.851 0.232 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826495318 609572652 /nfs/dbraw/zinc/57/26/52/609572652.db2.gz LDLUCEKARAUIJG-UONOGXRCSA-N -1 3 396.448 0.226 20 0 GCADHM O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826495318 609572653 /nfs/dbraw/zinc/57/26/53/609572653.db2.gz LDLUCEKARAUIJG-UONOGXRCSA-N -1 3 396.448 0.226 20 0 GCADHM O=C1[C@H](Nc2nccn3cnnc23)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477561 609575487 /nfs/dbraw/zinc/57/54/87/609575487.db2.gz GRPVYTHYJCQIAU-CYBMUJFWSA-N -1 3 376.384 0.912 20 0 GCADHM O=C1[C@H](Nc2nccn3cnnc23)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477561 609575489 /nfs/dbraw/zinc/57/54/89/609575489.db2.gz GRPVYTHYJCQIAU-CYBMUJFWSA-N -1 3 376.384 0.912 20 0 GCADHM CNC(=O)c1ccc(N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000826067161 609576846 /nfs/dbraw/zinc/57/68/46/609576846.db2.gz CYJGCGXTEBKNMA-AWEZNQCLSA-N -1 3 393.411 0.624 20 0 GCADHM CNC(=O)c1ccc(N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1 ZINC000826067161 609576847 /nfs/dbraw/zinc/57/68/47/609576847.db2.gz CYJGCGXTEBKNMA-AWEZNQCLSA-N -1 3 393.411 0.624 20 0 GCADHM O=C1[C@@H](Nc2nccn3nnnc23)CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000826477875 609577945 /nfs/dbraw/zinc/57/79/45/609577945.db2.gz OACBKSMUMQEDLG-LBPRGKRZSA-N -1 3 377.372 0.307 20 0 GCADHM O=C1[C@@H](Nc2nccn3nnnc23)CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826477875 609577946 /nfs/dbraw/zinc/57/79/46/609577946.db2.gz OACBKSMUMQEDLG-LBPRGKRZSA-N -1 3 377.372 0.307 20 0 GCADHM COCCN(CC(=O)OC)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826157754 609579248 /nfs/dbraw/zinc/57/92/48/609579248.db2.gz KKPJLBITGPBKLE-UHFFFAOYSA-N -1 3 399.411 0.622 20 0 GCADHM COCCN(CC(=O)OC)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826157754 609579250 /nfs/dbraw/zinc/57/92/50/609579250.db2.gz KKPJLBITGPBKLE-UHFFFAOYSA-N -1 3 399.411 0.622 20 0 GCADHM CC(C)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1=O ZINC000824300059 609584711 /nfs/dbraw/zinc/58/47/11/609584711.db2.gz BECWFDFRTSGKJM-UHFFFAOYSA-N -1 3 384.849 0.761 20 0 GCADHM CC(C)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1=O ZINC000824300059 609584712 /nfs/dbraw/zinc/58/47/12/609584712.db2.gz BECWFDFRTSGKJM-UHFFFAOYSA-N -1 3 384.849 0.761 20 0 GCADHM O=C(NC1CCOCC1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826431967 609594179 /nfs/dbraw/zinc/59/41/79/609594179.db2.gz PFBOPMICGVZBEZ-HNNXBMFYSA-N -1 3 385.428 0.840 20 0 GCADHM O=C(NC1CCOCC1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826431967 609594180 /nfs/dbraw/zinc/59/41/80/609594180.db2.gz PFBOPMICGVZBEZ-HNNXBMFYSA-N -1 3 385.428 0.840 20 0 GCADHM Cc1cc(C(=O)NC[C@H](C)S(C)(=O)=O)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259429 609601304 /nfs/dbraw/zinc/60/13/04/609601304.db2.gz RRBACWIHYYFXMQ-NSHDSACASA-N -1 3 389.441 0.524 20 0 GCADHM Cc1cc(C(=O)NC[C@H](C)S(C)(=O)=O)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259429 609601306 /nfs/dbraw/zinc/60/13/06/609601306.db2.gz RRBACWIHYYFXMQ-NSHDSACASA-N -1 3 389.441 0.524 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O)N[C@H]1CCCOC1 ZINC000826430739 609603717 /nfs/dbraw/zinc/60/37/17/609603717.db2.gz JSBGILZQAVHDHW-DZGCQCFKSA-N -1 3 385.428 0.840 20 0 GCADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O)N[C@H]1CCCOC1 ZINC000826430739 609603718 /nfs/dbraw/zinc/60/37/18/609603718.db2.gz JSBGILZQAVHDHW-DZGCQCFKSA-N -1 3 385.428 0.840 20 0 GCADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000824147223 609604654 /nfs/dbraw/zinc/60/46/54/609604654.db2.gz AWXBXCYXQNIUFH-UHFFFAOYSA-N -1 3 386.420 0.698 20 0 GCADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000824147223 609604656 /nfs/dbraw/zinc/60/46/56/609604656.db2.gz AWXBXCYXQNIUFH-UHFFFAOYSA-N -1 3 386.420 0.698 20 0 GCADHM O=C(NCC[C@@H]1CCOC1)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826436496 609607047 /nfs/dbraw/zinc/60/70/47/609607047.db2.gz VRYJHGPAXYJWSN-CYBMUJFWSA-N -1 3 386.460 0.956 20 0 GCADHM O=C(NCC[C@@H]1CCOC1)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826436496 609607049 /nfs/dbraw/zinc/60/70/49/609607049.db2.gz VRYJHGPAXYJWSN-CYBMUJFWSA-N -1 3 386.460 0.956 20 0 GCADHM Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3c[nH]c(-c4nnn[n-]4)c3)no2)cn1 ZINC000826356408 609607348 /nfs/dbraw/zinc/60/73/48/609607348.db2.gz PHSLUSQLZNHCHC-GFCCVEGCSA-N -1 3 396.371 0.192 20 0 GCADHM Cn1cc(-c2nc([C@H]3COCCN3C(=O)c3c[nH]c(-c4nn[n-]n4)c3)no2)cn1 ZINC000826356408 609607350 /nfs/dbraw/zinc/60/73/50/609607350.db2.gz PHSLUSQLZNHCHC-GFCCVEGCSA-N -1 3 396.371 0.192 20 0 GCADHM CN1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1=O ZINC000826023246 609608256 /nfs/dbraw/zinc/60/82/56/609608256.db2.gz ZQNGNUJBNUMIHV-DZGCQCFKSA-N -1 3 397.439 0.347 20 0 GCADHM CN1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1=O ZINC000826023246 609608258 /nfs/dbraw/zinc/60/82/58/609608258.db2.gz ZQNGNUJBNUMIHV-DZGCQCFKSA-N -1 3 397.439 0.347 20 0 GCADHM O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826431188 609609568 /nfs/dbraw/zinc/60/95/68/609609568.db2.gz UHHXVLCPWBFGJR-JGGQBBKZSA-N -1 3 397.439 0.598 20 0 GCADHM O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826431188 609609570 /nfs/dbraw/zinc/60/95/70/609609570.db2.gz UHHXVLCPWBFGJR-JGGQBBKZSA-N -1 3 397.439 0.598 20 0 GCADHM COc1ncc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000826221612 609610498 /nfs/dbraw/zinc/61/04/98/609610498.db2.gz MRATYXBWWFSESO-CQSZACIVSA-N -1 3 394.395 0.591 20 0 GCADHM COc1ncc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000826221612 609610500 /nfs/dbraw/zinc/61/05/00/609610500.db2.gz MRATYXBWWFSESO-CQSZACIVSA-N -1 3 394.395 0.591 20 0 GCADHM C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825022212 609615742 /nfs/dbraw/zinc/61/57/42/609615742.db2.gz WXNKZRKHIWOCOL-GLQYFDAESA-N -1 3 385.428 0.839 20 0 GCADHM C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825022212 609615743 /nfs/dbraw/zinc/61/57/43/609615743.db2.gz WXNKZRKHIWOCOL-GLQYFDAESA-N -1 3 385.428 0.839 20 0 GCADHM Cn1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000826363062 609617656 /nfs/dbraw/zinc/61/76/56/609617656.db2.gz VJJXNUWDUUXWHK-HNNXBMFYSA-N -1 3 395.427 0.595 20 0 GCADHM Cn1ccc(CNC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000826363062 609617657 /nfs/dbraw/zinc/61/76/57/609617657.db2.gz VJJXNUWDUUXWHK-HNNXBMFYSA-N -1 3 395.427 0.595 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)[C@H]1CCCOC1 ZINC000824489570 609620235 /nfs/dbraw/zinc/62/02/35/609620235.db2.gz LPHSXGCNUAPBQD-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM C[C@H](NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)[C@H]1CCCOC1 ZINC000824489570 609620236 /nfs/dbraw/zinc/62/02/36/609620236.db2.gz LPHSXGCNUAPBQD-KBPBESRZSA-N -1 3 386.460 0.908 20 0 GCADHM Cc1nnc(CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)s1 ZINC000826335175 609621507 /nfs/dbraw/zinc/62/15/07/609621507.db2.gz BQACHWQKPDCZKY-UHFFFAOYSA-N -1 3 386.445 0.453 20 0 GCADHM Cc1nnc(CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)s1 ZINC000826335175 609621509 /nfs/dbraw/zinc/62/15/09/609621509.db2.gz BQACHWQKPDCZKY-UHFFFAOYSA-N -1 3 386.445 0.453 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C)c3-c3nnn[n-]3)CCO2)no1 ZINC000826325506 609622854 /nfs/dbraw/zinc/62/28/54/609622854.db2.gz ZXNSYRVDSRPPNX-LBPRGKRZSA-N -1 3 398.383 0.405 20 0 GCADHM Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C)c3-c3nn[n-]n3)CCO2)no1 ZINC000826325506 609622855 /nfs/dbraw/zinc/62/28/55/609622855.db2.gz ZXNSYRVDSRPPNX-LBPRGKRZSA-N -1 3 398.383 0.405 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)[C@H](C(=O)OC)C1 ZINC000826132604 609624562 /nfs/dbraw/zinc/62/45/62/609624562.db2.gz FCMATGWMNSQZLR-KGLIPLIRSA-N -1 3 387.396 0.362 20 0 GCADHM COC(=O)[C@@H]1CCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)[C@H](C(=O)OC)C1 ZINC000826132604 609624563 /nfs/dbraw/zinc/62/45/63/609624563.db2.gz FCMATGWMNSQZLR-KGLIPLIRSA-N -1 3 387.396 0.362 20 0 GCADHM COc1ccccc1CNC(=O)COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826219643 609628231 /nfs/dbraw/zinc/62/82/31/609628231.db2.gz LCOLYZVJPVEOIB-KRWDZBQOSA-N -1 3 397.391 0.768 20 0 GCADHM COc1ccccc1CNC(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826219643 609628233 /nfs/dbraw/zinc/62/82/33/609628233.db2.gz LCOLYZVJPVEOIB-KRWDZBQOSA-N -1 3 397.391 0.768 20 0 GCADHM CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824266730 609633003 /nfs/dbraw/zinc/63/30/03/609633003.db2.gz PJTBAEZVADFNQB-MFKMUULPSA-N -1 3 390.400 0.314 20 0 GCADHM CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824266730 609633004 /nfs/dbraw/zinc/63/30/04/609633004.db2.gz PJTBAEZVADFNQB-MFKMUULPSA-N -1 3 390.400 0.314 20 0 GCADHM O=C(OCCN1C(=O)COc2ccccc21)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826463400 609633210 /nfs/dbraw/zinc/63/32/10/609633210.db2.gz DVUGWSUQJSRUJM-KRWDZBQOSA-N -1 3 395.375 0.869 20 0 GCADHM O=C(OCCN1C(=O)COc2ccccc21)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826463400 609633211 /nfs/dbraw/zinc/63/32/11/609633211.db2.gz DVUGWSUQJSRUJM-KRWDZBQOSA-N -1 3 395.375 0.869 20 0 GCADHM 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Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2CCN(C)C(=O)C2)CCCC1 ZINC000684485690 1185999651 /nfs/dbraw/zinc/99/96/51/1185999651.db2.gz VACRGWJCCORXEI-ZDUSSCGKSA-N -1 3 398.485 0.620 20 0 GCADHM COCCOCCOCCS(=O)(=O)[N-][C@H]1Cc2ccccc2N(C)C1=O ZINC000657070289 1186000052 /nfs/dbraw/zinc/00/00/52/1186000052.db2.gz DFHYTCVIYUWETN-HNNXBMFYSA-N -1 3 386.470 0.173 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1nc2cccnc2[nH]1 ZINC000684492827 1186009094 /nfs/dbraw/zinc/00/90/94/1186009094.db2.gz GPEMDLORLAAVLZ-VIFPVBQESA-N -1 3 378.414 0.546 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@H]2CCCCN12 ZINC000510635925 1186043192 /nfs/dbraw/zinc/04/31/92/1186043192.db2.gz YLRCOAWRUOACEP-CHWSQXEVSA-N -1 3 396.860 0.952 20 0 GCADHM O=C1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@H]2CCCCN12 ZINC000510635925 1186043198 /nfs/dbraw/zinc/04/31/98/1186043198.db2.gz YLRCOAWRUOACEP-CHWSQXEVSA-N -1 3 396.860 0.952 20 0 GCADHM COC(=O)CC1(CS(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000610612564 1186074924 /nfs/dbraw/zinc/07/49/24/1186074924.db2.gz UKXUMNRNQVBGKP-YPMHNXCESA-N -1 3 384.458 0.177 20 0 GCADHM Cn1nccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001022376118 1186079440 /nfs/dbraw/zinc/07/94/40/1186079440.db2.gz KWWYPJAMSQWYKH-VPWBDBDCSA-N -1 3 382.424 0.392 20 0 GCADHM O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)Nc1n[n-]c(-c2ccco2)n1 ZINC000510840886 1186130027 /nfs/dbraw/zinc/13/00/27/1186130027.db2.gz HSOSALNQJMADRS-UHFFFAOYSA-N -1 3 387.381 0.858 20 0 GCADHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@H]21 ZINC001022452861 1186174980 /nfs/dbraw/zinc/17/49/80/1186174980.db2.gz XHUQIVFWLXAICF-HWMZRRJGSA-N -1 3 386.452 0.979 20 0 GCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCC(=O)Nc1ccccc1 ZINC000510965804 1186193804 /nfs/dbraw/zinc/19/38/04/1186193804.db2.gz GJIXFZSLZWSCDT-NSHDSACASA-N -1 3 380.426 0.713 20 0 GCADHM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000535762384 1186210925 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ZINC000278018006 1186747626 /nfs/dbraw/zinc/74/76/26/1186747626.db2.gz JALOIHMGQAISBJ-CYBMUJFWSA-N -1 3 392.460 0.880 20 0 GCADHM CCOC(=O)c1nc(C2CCN(C(=O)N[C@@H]3CC(=O)N(C(C)C)C3)CC2)n[n-]1 ZINC000278018006 1186747629 /nfs/dbraw/zinc/74/76/29/1186747629.db2.gz JALOIHMGQAISBJ-CYBMUJFWSA-N -1 3 392.460 0.880 20 0 GCADHM COC(=O)[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)[C@H]1CCC[C@@H](OC)C1 ZINC000582129146 1186767720 /nfs/dbraw/zinc/76/77/20/1186767720.db2.gz HQMFWCGUTBZBQF-YSVLISHTSA-N -1 3 378.425 0.985 20 0 GCADHM CCN(CC(=O)[O-])C1CC(NC(=O)c2cc(S(C)(=O)=O)ccc2OC)C1 ZINC000583204851 1186796284 /nfs/dbraw/zinc/79/62/84/1186796284.db2.gz YYPKCLBINCDFHP-UHFFFAOYSA-N -1 3 384.454 0.766 20 0 GCADHM COC(=O)CC[C@H]1NC(=O)N(c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1=O ZINC000278174375 1186814417 /nfs/dbraw/zinc/81/44/17/1186814417.db2.gz QIROSLYHUSAUSD-GFCCVEGCSA-N -1 3 399.400 0.644 20 0 GCADHM C[C@@H](NC(=O)CS(=O)(=O)c1nnc(C(C)(C)C)[n-]1)C(=O)N1CCCCC1 ZINC000278182598 1186817310 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GCADHM COCCO[C@H]1C[C@H](CO)CN(CC(=O)[N-]C(=O)c2ccc(OC)cc2)C1 ZINC000278395059 1186928517 /nfs/dbraw/zinc/92/85/17/1186928517.db2.gz VPLNLBUAZFANQP-YOEHRIQHSA-N -1 3 380.441 0.297 20 0 GCADHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC000583896537 1186958298 /nfs/dbraw/zinc/95/82/98/1186958298.db2.gz CVACYJFOSVZUFL-UHFFFAOYSA-N -1 3 379.398 0.312 20 0 GCADHM COC(=O)Cc1nnc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)[n-]1 ZINC000583896537 1186958299 /nfs/dbraw/zinc/95/82/99/1186958299.db2.gz CVACYJFOSVZUFL-UHFFFAOYSA-N -1 3 379.398 0.312 20 0 GCADHM COC(=O)Cc1nc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)n[n-]1 ZINC000583896537 1186958300 /nfs/dbraw/zinc/95/83/00/1186958300.db2.gz CVACYJFOSVZUFL-UHFFFAOYSA-N -1 3 379.398 0.312 20 0 GCADHM COCCO[C@H]1C[C@H](CO)CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC000278509262 1186964558 /nfs/dbraw/zinc/96/45/58/1186964558.db2.gz DSUJWHZUCWZEFW-HOTGVXAUSA-N -1 3 394.468 0.693 20 0 GCADHM CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000052749581 1186984763 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O=C(Cn1cc(F)c(=O)[n-]c1=O)N1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001183656730 1205898091 /nfs/dbraw/zinc/89/80/91/1205898091.db2.gz JXQOZSVKOZWPCC-AAEUAGOBSA-N -1 3 393.444 0.668 20 0 GCADHM CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183660126 1205898171 /nfs/dbraw/zinc/89/81/71/1205898171.db2.gz QWALASPYWALCHO-JTQLQIEISA-N -1 3 384.364 0.130 20 0 GCADHM O=C(Cn1cc(F)c(=O)[n-]c1=O)Nc1ccc(Br)c2c1C(=O)NC2 ZINC001183661290 1205898192 /nfs/dbraw/zinc/89/81/92/1205898192.db2.gz QRCSSYGTLPFJDU-UHFFFAOYSA-N -1 3 397.160 0.733 20 0 GCADHM COc1cccc(OC2CCN(C(=O)Cn3cc(F)c(=O)[n-]c3=O)CC2)n1 ZINC001183659750 1205898222 /nfs/dbraw/zinc/89/82/22/1205898222.db2.gz DYBMBBCZYRSRLM-UHFFFAOYSA-N -1 3 378.360 0.562 20 0 GCADHM COc1cc(NC(=O)Cn2cc(F)c(=O)[n-]c2=O)ccc1N1CCOCC1 ZINC001183662022 1205898277 /nfs/dbraw/zinc/89/82/77/1205898277.db2.gz ZXZZJIMRJBBSCL-UHFFFAOYSA-N -1 3 378.360 0.572 20 0 GCADHM O=C(Cn1cc(F)c(=O)[n-]c1=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC001183660724 1205898287 /nfs/dbraw/zinc/89/82/87/1205898287.db2.gz YNCQVWAZQNASSI-UHFFFAOYSA-N -1 3 389.387 0.901 20 0 GCADHM O=C(Cn1cc(F)c(=O)[n-]c1=O)N1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001183659625 1205898408 /nfs/dbraw/zinc/89/84/08/1205898408.db2.gz CWRRUQSSTZRPNC-UHFFFAOYSA-N -1 3 392.362 0.648 20 0 GCADHM Cc1nc(C)c(CCC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c(=O)[n-]1 ZINC001184368475 1205909016 /nfs/dbraw/zinc/90/90/16/1205909016.db2.gz JKSNJLKHELNHRU-UHFFFAOYSA-N -1 3 398.471 0.725 20 0 GCADHM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001184420189 1205910101 /nfs/dbraw/zinc/91/01/01/1205910101.db2.gz JXYHLYJIEBYKCL-WBVHZDCISA-N -1 3 394.391 0.554 20 0 GCADHM CC(=O)N[C@H](C(=O)c1ccccc1)[C@H](O)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001184420189 1205910102 /nfs/dbraw/zinc/91/01/02/1205910102.db2.gz JXYHLYJIEBYKCL-WBVHZDCISA-N -1 3 394.391 0.554 20 0 GCADHM COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)c1[n-]c(=O)ccc1Cl ZINC001184803460 1205913586 /nfs/dbraw/zinc/91/35/86/1205913586.db2.gz UKRKLPLIKQTJCY-KZULUSFZSA-N -1 3 397.859 0.735 20 0 GCADHM CC(C)(C)OC(=O)CC[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(N)=O ZINC001184898853 1205914333 /nfs/dbraw/zinc/91/43/33/1205914333.db2.gz UUITXVDOYRXHDF-VIFPVBQESA-N -1 3 377.850 0.989 20 0 GCADHM NC(=O)CNC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001184914760 1205914663 /nfs/dbraw/zinc/91/46/63/1205914663.db2.gz VQMWEUTULQGJEK-LBPRGKRZSA-N -1 3 396.856 0.226 20 0 GCADHM CC(C)S(=O)(=O)N1CCC(C[N-]S(=O)(=O)c2cnc(Cl)nc2)CC1 ZINC001185076147 1205916692 /nfs/dbraw/zinc/91/66/92/1205916692.db2.gz UFXBCQQSPYDQFD-UHFFFAOYSA-N -1 3 396.922 0.859 20 0 GCADHM CC(C)(C)OC(=O)[C@H](CCC(N)=O)[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185066848 1205916757 /nfs/dbraw/zinc/91/67/57/1205916757.db2.gz HNEVIWMMYPMYBW-VIFPVBQESA-N -1 3 378.838 0.384 20 0 GCADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O)c1ccsc1 ZINC001185345470 1205921584 /nfs/dbraw/zinc/92/15/84/1205921584.db2.gz OJEHAQSJUHMSPO-GFCCVEGCSA-N -1 3 386.499 0.909 20 0 GCADHM CN1C[C@]2(CC1=O)CCCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185576700 1205924279 /nfs/dbraw/zinc/92/42/79/1205924279.db2.gz QMOMPIQUERJBIS-MRXNPFEDSA-N -1 3 376.442 0.642 20 0 GCADHM CN1C[C@]2(CC1=O)CCCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185576700 1205924280 /nfs/dbraw/zinc/92/42/80/1205924280.db2.gz QMOMPIQUERJBIS-MRXNPFEDSA-N -1 3 376.442 0.642 20 0 GCADHM CC1(C)CN(C2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)CCO1 ZINC001185589415 1205925001 /nfs/dbraw/zinc/92/50/01/1205925001.db2.gz WPUORCMUSQEMJT-UHFFFAOYSA-N -1 3 378.458 0.350 20 0 GCADHM CC1(C)CN(C2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)CCO1 ZINC001185589415 1205925002 /nfs/dbraw/zinc/92/50/02/1205925002.db2.gz WPUORCMUSQEMJT-UHFFFAOYSA-N -1 3 378.458 0.350 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(F)(F)F)CC1 ZINC001185587944 1205925035 /nfs/dbraw/zinc/92/50/35/1205925035.db2.gz CZMICDAARVFXNQ-UHFFFAOYSA-N -1 3 376.364 0.735 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(F)(F)F)CC1 ZINC001185587944 1205925036 /nfs/dbraw/zinc/92/50/36/1205925036.db2.gz CZMICDAARVFXNQ-UHFFFAOYSA-N -1 3 376.364 0.735 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001185588846 1205925067 /nfs/dbraw/zinc/92/50/67/1205925067.db2.gz ZWOIJIRROFYCBK-LSJOCFKGSA-N -1 3 375.332 0.959 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001185588846 1205925068 /nfs/dbraw/zinc/92/50/68/1205925068.db2.gz ZWOIJIRROFYCBK-LSJOCFKGSA-N -1 3 375.332 0.959 20 0 GCADHM O=C1OCCCN1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185593817 1205925170 /nfs/dbraw/zinc/92/51/70/1205925170.db2.gz WVBRTQAOPLFHCD-UHFFFAOYSA-N -1 3 392.441 0.862 20 0 GCADHM O=C1OCCCN1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185593817 1205925171 /nfs/dbraw/zinc/92/51/71/1205925171.db2.gz WVBRTQAOPLFHCD-UHFFFAOYSA-N -1 3 392.441 0.862 20 0 GCADHM CN(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185591462 1205925237 /nfs/dbraw/zinc/92/52/37/1205925237.db2.gz AWBGGDVXPXZCNO-UHFFFAOYSA-N -1 3 379.446 0.291 20 0 GCADHM CN(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185591462 1205925239 /nfs/dbraw/zinc/92/52/39/1205925239.db2.gz AWBGGDVXPXZCNO-UHFFFAOYSA-N -1 3 379.446 0.291 20 0 GCADHM CN1CC2(CC1=O)CCN(S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001185591985 1205925318 /nfs/dbraw/zinc/92/53/18/1205925318.db2.gz HAXSYZUYLFODMF-UHFFFAOYSA-N -1 3 376.442 0.500 20 0 GCADHM CN1CC2(CC1=O)CCN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185591985 1205925320 /nfs/dbraw/zinc/92/53/20/1205925320.db2.gz HAXSYZUYLFODMF-UHFFFAOYSA-N -1 3 376.442 0.500 20 0 GCADHM CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001185594023 1205925344 /nfs/dbraw/zinc/92/53/44/1205925344.db2.gz YUVHTOWCWWITDY-GFCCVEGCSA-N -1 3 379.446 0.291 20 0 GCADHM CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001185594023 1205925345 /nfs/dbraw/zinc/92/53/45/1205925345.db2.gz YUVHTOWCWWITDY-GFCCVEGCSA-N -1 3 379.446 0.291 20 0 GCADHM CN1C(=O)CC[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC[C@@H]21 ZINC001185597866 1205925404 /nfs/dbraw/zinc/92/54/04/1205925404.db2.gz UCEGDVMEXITRAA-JSGCOSHPSA-N -1 3 376.442 0.498 20 0 GCADHM CN1C(=O)CC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC[C@@H]21 ZINC001185597866 1205925405 /nfs/dbraw/zinc/92/54/05/1205925405.db2.gz UCEGDVMEXITRAA-JSGCOSHPSA-N -1 3 376.442 0.498 20 0 GCADHM O=S(=O)(NC[C@H](O)COCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185613715 1205925667 /nfs/dbraw/zinc/92/56/67/1205925667.db2.gz MRIPFHXKAAGNNY-HNNXBMFYSA-N -1 3 389.437 0.723 20 0 GCADHM O=S(=O)(NC[C@H](O)COCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185613715 1205925669 /nfs/dbraw/zinc/92/56/69/1205925669.db2.gz MRIPFHXKAAGNNY-HNNXBMFYSA-N -1 3 389.437 0.723 20 0 GCADHM O=C(C1CC1)N1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185614903 1205925736 /nfs/dbraw/zinc/92/57/36/1205925736.db2.gz XQBIZQFCRQLKPB-UHFFFAOYSA-N -1 3 376.442 0.546 20 0 GCADHM O=C(C1CC1)N1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185614903 1205925738 /nfs/dbraw/zinc/92/57/38/1205925738.db2.gz XQBIZQFCRQLKPB-UHFFFAOYSA-N -1 3 376.442 0.546 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001185578818 1205925872 /nfs/dbraw/zinc/92/58/72/1205925872.db2.gz PDIKSNYWSQFPKH-QGZVFWFLSA-N -1 3 398.452 0.700 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001185578818 1205925873 /nfs/dbraw/zinc/92/58/73/1205925873.db2.gz PDIKSNYWSQFPKH-QGZVFWFLSA-N -1 3 398.452 0.700 20 0 GCADHM COc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(OC)n1 ZINC001185628812 1205926007 /nfs/dbraw/zinc/92/60/07/1205926007.db2.gz WAMKLFCCICUHNX-UHFFFAOYSA-N -1 3 376.398 0.757 20 0 GCADHM COc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(OC)n1 ZINC001185628812 1205926008 /nfs/dbraw/zinc/92/60/08/1205926008.db2.gz WAMKLFCCICUHNX-UHFFFAOYSA-N -1 3 376.398 0.757 20 0 GCADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001185583733 1205926078 /nfs/dbraw/zinc/92/60/78/1205926078.db2.gz NWYSXLFUABTQLH-ARFHVFGLSA-N -1 3 391.453 0.681 20 0 GCADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001185583733 1205926080 /nfs/dbraw/zinc/92/60/80/1205926080.db2.gz NWYSXLFUABTQLH-ARFHVFGLSA-N -1 3 391.453 0.681 20 0 GCADHM CC(C)(CC(=O)N1CCCC1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628847 1205926124 /nfs/dbraw/zinc/92/61/24/1205926124.db2.gz XKKBACDOWQOWJW-UHFFFAOYSA-N -1 3 378.458 0.936 20 0 GCADHM CC(C)(CC(=O)N1CCCC1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628847 1205926126 /nfs/dbraw/zinc/92/61/26/1205926126.db2.gz XKKBACDOWQOWJW-UHFFFAOYSA-N -1 3 378.458 0.936 20 0 GCADHM CCC(=O)N1CCC(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001185631343 1205926182 /nfs/dbraw/zinc/92/61/82/1205926182.db2.gz FRDVPFWZFNSNEA-UHFFFAOYSA-N -1 3 378.458 0.794 20 0 GCADHM CCC(=O)N1CCC(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001185631343 1205926183 /nfs/dbraw/zinc/92/61/83/1205926183.db2.gz FRDVPFWZFNSNEA-UHFFFAOYSA-N -1 3 378.458 0.794 20 0 GCADHM O=S(=O)(N[C@H]1CCN(Cc2cccnc2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185632112 1205926279 /nfs/dbraw/zinc/92/62/79/1205926279.db2.gz TXGZKGJOJYXWCD-HNNXBMFYSA-N -1 3 385.453 0.815 20 0 GCADHM O=S(=O)(N[C@H]1CCN(Cc2cccnc2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185632112 1205926280 /nfs/dbraw/zinc/92/62/80/1205926280.db2.gz TXGZKGJOJYXWCD-HNNXBMFYSA-N -1 3 385.453 0.815 20 0 GCADHM O=S(=O)(NCC1CCN(C2COC2)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185637759 1205926467 /nfs/dbraw/zinc/92/64/67/1205926467.db2.gz KBGVAHXXQINPFV-UHFFFAOYSA-N -1 3 378.458 0.256 20 0 GCADHM O=S(=O)(NCC1CCN(C2COC2)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185637759 1205926469 /nfs/dbraw/zinc/92/64/69/1205926469.db2.gz KBGVAHXXQINPFV-UHFFFAOYSA-N -1 3 378.458 0.256 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1nccs1 ZINC001185621472 1205926815 /nfs/dbraw/zinc/92/68/15/1205926815.db2.gz YNGDWSUURPQOFY-UHFFFAOYSA-N -1 3 379.427 0.630 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1nccs1 ZINC001185621472 1205926817 /nfs/dbraw/zinc/92/68/17/1205926817.db2.gz YNGDWSUURPQOFY-UHFFFAOYSA-N -1 3 379.427 0.630 20 0 GCADHM O=S(=O)(NCc1ncc(Br)cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185624361 1205927318 /nfs/dbraw/zinc/92/73/18/1205927318.db2.gz SAQKBVWENPNEGL-UHFFFAOYSA-N -1 3 396.230 0.898 20 0 GCADHM O=S(=O)(NCc1ncc(Br)cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185624361 1205927319 /nfs/dbraw/zinc/92/73/19/1205927319.db2.gz SAQKBVWENPNEGL-UHFFFAOYSA-N -1 3 396.230 0.898 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1ccccc1 ZINC001185624377 1205927353 /nfs/dbraw/zinc/92/73/53/1205927353.db2.gz SSZGUMYQHLHLEL-UHFFFAOYSA-N -1 3 386.437 0.852 20 0 GCADHM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1ccccc1 ZINC001185624377 1205927354 /nfs/dbraw/zinc/92/73/54/1205927354.db2.gz SSZGUMYQHLHLEL-UHFFFAOYSA-N -1 3 386.437 0.852 20 0 GCADHM CN(CC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185664719 1205927761 /nfs/dbraw/zinc/92/77/61/1205927761.db2.gz YQWWBDBEFWCXRS-CQSZACIVSA-N -1 3 383.389 0.489 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCNC(=O)c1cccc(OC)c1 ZINC001186212536 1205936634 /nfs/dbraw/zinc/93/66/34/1205936634.db2.gz JKBHQBYGKIWMBH-UHFFFAOYSA-N -1 3 396.425 0.222 20 0 GCADHM Cn1c(=O)cc([N-]S(=O)(=O)c2cncc(Br)c2)n(C)c1=O ZINC001186428555 1205939889 /nfs/dbraw/zinc/93/98/89/1205939889.db2.gz ULNNRZZPQDMOFN-UHFFFAOYSA-N -1 3 375.204 0.042 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)N=c2ncnc3[nH][n-]cc2-3)C1 ZINC001186483088 1205940226 /nfs/dbraw/zinc/94/02/26/1205940226.db2.gz CCVUJSZDDZTETC-DRZSPHRISA-N -1 3 388.428 0.937 20 0 GCADHM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)NCCCc2c[n-][nH]c2=O)C1 ZINC001186502673 1205940686 /nfs/dbraw/zinc/94/06/86/1205940686.db2.gz NKSIVYOVBNSMOI-XQLPTFJDSA-N -1 3 394.472 0.887 20 0 GCADHM CCOC(=O)C(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1OC ZINC001186584074 1205942448 /nfs/dbraw/zinc/94/24/48/1205942448.db2.gz HFZZXAVEIWVULP-UHFFFAOYSA-N -1 3 381.353 0.959 20 0 GCADHM CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001186715239 1205946258 /nfs/dbraw/zinc/94/62/58/1205946258.db2.gz DBBBNBYLXKVQIY-GHMZBOCLSA-N -1 3 387.396 0.625 20 0 GCADHM O=S(=O)([N-]Cc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccco1 ZINC001186877290 1205950368 /nfs/dbraw/zinc/95/03/68/1205950368.db2.gz OUFAPFQRCMOWAC-UHFFFAOYSA-N -1 3 386.451 0.779 20 0 GCADHM COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)c1ccccc1-c1nnn[n-]1)C2 ZINC001187006589 1205953488 /nfs/dbraw/zinc/95/34/88/1205953488.db2.gz CXYYJSBQAPSHBW-CQSZACIVSA-N -1 3 394.435 0.962 20 0 GCADHM COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)c1ccccc1-c1nn[n-]n1)C2 ZINC001187006589 1205953490 /nfs/dbraw/zinc/95/34/90/1205953490.db2.gz CXYYJSBQAPSHBW-CQSZACIVSA-N -1 3 394.435 0.962 20 0 GCADHM COCCC1(NC(=O)c2ccccc2-c2nnn[n-]2)CCS(=O)(=O)CC1 ZINC001187015922 1205953591 /nfs/dbraw/zinc/95/35/91/1205953591.db2.gz JGYOVVGMTJLXDF-UHFFFAOYSA-N -1 3 379.442 0.580 20 0 GCADHM COCCC1(NC(=O)c2ccccc2-c2nn[n-]n2)CCS(=O)(=O)CC1 ZINC001187015922 1205953592 /nfs/dbraw/zinc/95/35/92/1205953592.db2.gz JGYOVVGMTJLXDF-UHFFFAOYSA-N -1 3 379.442 0.580 20 0 GCADHM Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccccc2-c2nnn[n-]2)cn1 ZINC001186992920 1205954160 /nfs/dbraw/zinc/95/41/60/1205954160.db2.gz XBEDXBMTTXNDJB-JKSUJKDBSA-N -1 3 392.423 0.729 20 0 GCADHM Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC001186992920 1205954162 /nfs/dbraw/zinc/95/41/62/1205954162.db2.gz XBEDXBMTTXNDJB-JKSUJKDBSA-N -1 3 392.423 0.729 20 0 GCADHM COC(=O)c1ncc(=O)[nH]c1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC001187159937 1205955547 /nfs/dbraw/zinc/95/55/47/1205955547.db2.gz LXEOYEUNGONGOF-UHFFFAOYSA-N -1 3 389.802 0.720 20 0 GCADHM CCOCCS(=O)(=O)[N-][C@@H](CO)[C@H](O)c1ccc(Br)cc1 ZINC001187243686 1205958168 /nfs/dbraw/zinc/95/81/68/1205958168.db2.gz OCYPHJXQQKVPCP-QWHCGFSZSA-N -1 3 382.276 0.799 20 0 GCADHM CSc1[n-]nc(NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1C(N)=O ZINC001187301618 1205960250 /nfs/dbraw/zinc/96/02/50/1205960250.db2.gz KCLKJAGRSWAURT-VIFPVBQESA-N -1 3 398.489 0.720 20 0 GCADHM CCOCCS(=O)(=O)[N-][C@@H](CCCNC(=O)OC(C)(C)C)C(=O)OC ZINC001187319490 1205961016 /nfs/dbraw/zinc/96/10/16/1205961016.db2.gz XYWWOVJOYXHULJ-LBPRGKRZSA-N -1 3 382.479 0.789 20 0 GCADHM COC(=O)[C@H](CC[N-]S(=O)(=O)c1cnoc1C)NC(=O)OC(C)(C)C ZINC001187412007 1205962122 /nfs/dbraw/zinc/96/21/22/1205962122.db2.gz QMZPKFSYBOTSEN-JTQLQIEISA-N -1 3 377.419 0.718 20 0 GCADHM Cc1oncc1S(=O)(=O)[N-]Cc1ccnc(N2CCS(=O)(=O)CC2)c1 ZINC001187414890 1205962169 /nfs/dbraw/zinc/96/21/69/1205962169.db2.gz WHYMARIARYOTJY-UHFFFAOYSA-N -1 3 386.455 0.091 20 0 GCADHM COC(=O)[C@@H](CC[N-]S(=O)(=O)c1cnoc1C)NC(=O)OC(C)(C)C ZINC001187412008 1205962342 /nfs/dbraw/zinc/96/23/42/1205962342.db2.gz QMZPKFSYBOTSEN-SNVBAGLBSA-N -1 3 377.419 0.718 20 0 GCADHM COC(=O)[C@H](CCNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cnoc1C ZINC001187388213 1205962547 /nfs/dbraw/zinc/96/25/47/1205962547.db2.gz HMDDFLYTIOGTQL-JTQLQIEISA-N -1 3 377.419 0.718 20 0 GCADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)C[C@@H]2CC3(CCC3)CO2)C(=O)N1c1cnn(C)c1 ZINC001187574230 1205966060 /nfs/dbraw/zinc/96/60/60/1205966060.db2.gz WPWUFHTUMWUSGA-SNPRPXQTSA-N -1 3 382.486 0.793 20 0 GCADHM COC[C@H]([N-]S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(C)o1 ZINC001187668289 1205966702 /nfs/dbraw/zinc/96/67/02/1205966702.db2.gz SRDKBVUONOYMKP-STQMWFEESA-N -1 3 380.488 0.476 20 0 GCADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC001187737306 1205968015 /nfs/dbraw/zinc/96/80/15/1205968015.db2.gz XSXWBHNXXHYQEO-MEDUHNTESA-N -1 3 392.441 0.037 20 0 GCADHM CC(=O)N[C@@H](CCCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(N)=O ZINC001188084788 1205974811 /nfs/dbraw/zinc/97/48/11/1205974811.db2.gz RCSBCVKJXIPEIU-NSHDSACASA-N -1 3 397.284 0.827 20 0 GCADHM O=C(NCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)N1CCOCC1 ZINC001188087582 1205975416 /nfs/dbraw/zinc/97/54/16/1205975416.db2.gz LSPNQQASDZKLJJ-UHFFFAOYSA-N -1 3 383.257 0.709 20 0 GCADHM COC(=O)[C@H](Cc1cccc(S(C)(=O)=O)c1)[N-]S(=O)(=O)C1CCC1 ZINC001188162341 1205976618 /nfs/dbraw/zinc/97/66/18/1205976618.db2.gz OEGOTKFSWMMDED-AWEZNQCLSA-N -1 3 375.468 0.646 20 0 GCADHM NC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCOC2)c(Br)cc1F ZINC001188336505 1205979781 /nfs/dbraw/zinc/97/97/81/1205979781.db2.gz HSGHZLKYQWFDJJ-LBPRGKRZSA-N -1 3 397.222 0.117 20 0 GCADHM Cn1ncc(I)c1C(=O)Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001188463239 1205983310 /nfs/dbraw/zinc/98/33/10/1205983310.db2.gz OREUCJKISXPYKF-UHFFFAOYSA-N -1 3 376.114 0.060 20 0 GCADHM O=C(N=c1nc2[nH][n-]cc-2c(Cl)n1)c1n[nH]cc1I ZINC001189128276 1205996934 /nfs/dbraw/zinc/99/69/34/1205996934.db2.gz AXOHKCCODVPUKK-UHFFFAOYSA-N -1 3 389.544 0.960 20 0 GCADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)c1cnc(N2CCOCC2)nc1 ZINC001189380457 1206002914 /nfs/dbraw/zinc/00/29/14/1206002914.db2.gz GKRARCJXQNCONO-UHFFFAOYSA-N -1 3 389.368 0.467 20 0 GCADHM O=c1cc(Cn2cc(I)c(=O)[n-]c2=O)nc2ccccn12 ZINC001189348880 1206003485 /nfs/dbraw/zinc/00/34/85/1206003485.db2.gz QJKLNKIRGQEUPQ-UHFFFAOYSA-N -1 3 396.144 0.610 20 0 GCADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@H](CO)CC1CCOCC1 ZINC001189779075 1206015687 /nfs/dbraw/zinc/01/56/87/1206015687.db2.gz XQPWQPFXHGKHAX-ZDUSSCGKSA-N -1 3 389.474 0.598 20 0 GCADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](CO)CC1CCOCC1 ZINC001189779073 1206015899 /nfs/dbraw/zinc/01/58/99/1206015899.db2.gz XQPWQPFXHGKHAX-CYBMUJFWSA-N -1 3 389.474 0.598 20 0 GCADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCc2n[nH]c(=O)cc2C1 ZINC000775314346 1206016543 /nfs/dbraw/zinc/01/65/43/1206016543.db2.gz MAXFWBICQWTWBN-UHFFFAOYSA-N -1 3 392.412 0.961 20 0 GCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1ncnn1-c1ccccc1 ZINC001189856072 1206020015 /nfs/dbraw/zinc/02/00/15/1206020015.db2.gz NIZUBFXMRXIUBJ-UHFFFAOYSA-N -1 3 376.398 0.564 20 0 GCADHM COc1nc(S(=O)(=O)[N-][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1F ZINC001190107743 1206025517 /nfs/dbraw/zinc/02/55/17/1206025517.db2.gz JCEQQDSLFVWZQM-GHMZBOCLSA-N -1 3 391.421 0.488 20 0 GCADHM COc1nc(S(=O)(=O)[N-][C@H](CO)C(=O)OCc2ccccc2)ccc1F ZINC001190111443 1206026896 /nfs/dbraw/zinc/02/68/96/1206026896.db2.gz JYLZOLMIZFUWRE-CYBMUJFWSA-N -1 3 384.385 0.612 20 0 GCADHM COc1ccc(OC[C@@H](O)C[N-]S(=O)(=O)c2ccc(F)c(OC)n2)cc1 ZINC001190111540 1206027093 /nfs/dbraw/zinc/02/70/93/1206027093.db2.gz MPHGKMCQQNFQPX-NSHDSACASA-N -1 3 386.401 0.956 20 0 GCADHM CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(OC)n1)C1CCOCC1 ZINC001190120808 1206027541 /nfs/dbraw/zinc/02/75/41/1206027541.db2.gz NPKUAYHSAYQHQO-CYBMUJFWSA-N -1 3 376.406 0.866 20 0 GCADHM CCOC(=O)c1nc2n(n1)CCN(C(=O)c1c([O-])cc(OC)cc1OC)C2 ZINC001190122198 1206027586 /nfs/dbraw/zinc/02/75/86/1206027586.db2.gz RSHWQTHXUPZJIS-UHFFFAOYSA-N -1 3 376.369 0.834 20 0 GCADHM COc1nc(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)(C)C)C(N)=O)ccc1F ZINC001190132392 1206028270 /nfs/dbraw/zinc/02/82/70/1206028270.db2.gz OMBAJZYCHKXZHG-VIFPVBQESA-N -1 3 377.394 0.093 20 0 GCADHM CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)c3ccc(=O)[n-]c3Cl)C2)C1=O ZINC001190908443 1206050743 /nfs/dbraw/zinc/05/07/43/1206050743.db2.gz RYPFELULWRNGEV-GOSISDBHSA-N -1 3 394.859 0.984 20 0 GCADHM